Mercurial > repos > fgiacomoni > bank_inhouse
changeset 0:be582bcd6585 draft
Master branch Updating - - Fxx
| author | fgiacomoni |
|---|---|
| date | Thu, 04 Oct 2018 10:37:14 -0400 |
| parents | |
| children | 52798007c6b2 |
| files | README.txt bank_inhouse.pl bank_inhouse.xml bih.tmpl conf_bih.cfg inhouse.tsv lib/bih.pm lib/conf.pm lib/csv.pm lib/json.pm static/images/bank_inhouse.png t/bih_managerTest.t t/lib/bihTest.pm test-data/in_test2.tabular test-data/out_test1.tabular test-data/out_test2a.tabular test-data/out_test2b.tabular test-data/out_test_pf1.tabular test-data/out_test_pf2a.tabular test-data/out_test_pf2b.tabular |
| diffstat | 20 files changed, 293395 insertions(+), 0 deletions(-) [+] |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/README.txt Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,66 @@ +## ****** match_mass environnemnt : ****** ## +# version December 2014 M Landi / M Petera / JF Martin + +## --- PERL compilator / libraries : --- ## +$ perl -v +This is perl, v5.10.1 (*) built for x86_64-linux-thread-multi +-- + +# libs CORE PERL : +use strict ; +use warnings ; +use Carp qw (cluck croak carp) ; +use Data::Dumper ; +use Getopt::Long ; +use POSIX ; +use List::Util qw( min max ); +use FindBin ; + +# libs CPAN PERL : +use Math::BigFloat; +use LWP::Simple; +use LWP::UserAgent; +use URI::URL; +use SOAP::Lite; +use Encode; +use HTML::Template ; +use Net::SSL ; +use Data::Dumper ; +use REST::Client; +use JSON; + +# libs pfem PERL : libs are now integrated +use lib::conf qw( :ALL ) ; +use lib::csv qw( :ALL ) ; +use lib::json qw( :ALL ) ; + +## --- R bin and Packages : --- ## +NA + +## --- Binary dependencies --- ## +Uses a local database : "inhouse.tsv" in some cases +"create_inhouse_bank.pl" : allows to recreate "inhouse.tsv" +-- + +## --- Config : --- ## +Edit the following lines in the config file : conf_pf.ini +with your personal token used to manage and allow Pforest access / the WS PeakForest url +PF_GLOBAL_TOKEN +PF_WS_URL=https://rest.peakforest.org +PF_REST_QUERY_CLEAN_RANGE=/spectra/lcms/peaks/get-range-clean + +-- + +## --- XML HELP PART --- ## +one image : +bank_inhouse.png +-- + +## --- DATASETS --- ## +No data set ! waiting for galaxy pages +-- + +## --- ??? COMMENTS ??? --- ## +Uses a local database : "inhouse.tsv" in some cases +"create_inhouse_bank.pl" : allows to recreate "inhouse.tsv" +-- \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/bank_inhouse.pl Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,493 @@ +#!perl + +## script : bank_inhouse.pl +#============================================================================= +# Included modules and versions +#============================================================================= +## Perl modules +use strict ; +use warnings ; +use Carp qw (cluck croak carp) ; + +use Data::Dumper ; +use Getopt::Long ; +use POSIX ; +use List::Util qw( min max ); +use FindBin ; ## Allows you to locate the directory of original perl script + +## Specific Modules +use lib $FindBin::Bin ; +my $binPath = $FindBin::Bin ; +use lib::bih qw( :ALL ) ; + +## PFEM Perl Modules +use lib::conf qw( :ALL ) ; +use lib::csv qw( :ALL ) ; + +## Initialized values +my ( $help ) = ( undef ) ; +my ( $mass ) = ( undef ) ; +my ( $masses_file, $nbline_header, $col_mass ) = ( undef, undef, undef ) ; +my ( $col_rt, $manual_rt, $rt_delta, $mz_delta_type, $mz_delta, $rtdb ) = ( undef, undef, undef, undef, undef, undef ) ; +my ( $mode, $tissues, $bank_in, $bank_name, $col_mzdb) = ( undef, undef, undef, undef, undef ) ; +my ( $out_tab, $out_html, $out_xls, $out_json, $out_full ) = ( undef, undef, undef, undef, undef ) ; +my ($rest_mode) = ('no') ; + +my ( $verbose ) = ( 2 ) ; ## verbose level is 3 for debugg + +#============================================================================= +# Manage EXCEPTIONS +#============================================================================= + +&GetOptions ( "h" => \$help, # HELP + "masse:s" => \$mass, ## option : one masse + "input:s" => \$masses_file, ## option : path to the input + "rest:s" => \$rest_mode, ## option : allow uses of peakforest rest service + "nbheader:i" => \$nbline_header, ## numbre of header line present in file + "colrt:i" => \$col_rt, ## Column retention time for retrieve formula/masses list in tabular file + "rt:s" => \$manual_rt, ## Retention time for manual masses list + "rt_delta:f" => \$rt_delta, ## Delta for retention time + "colmass:i" => \$col_mass, ## Column id for retrieve formula list in tabular file + "mz_delta:s" => \$mz_delta_type, ## Delta type for masses + "mass_delta:f" => \$mz_delta, ## Delta for masses + "mode:s" => \$mode, ## Molecular species (positive/negative/neutral) + "tissues:s" => \$tissues, ## Restricted to certain characterization and localization (blood/plasma/urine/peptide) + "bank_in:s" => \$bank_in, ## option : path to a personal data bank + "bank_name:s" => \$bank_name, ## option : name of the bank + "mzdb:i" => \$col_mzdb, ## Column number in which is the masses of the personal data bank + "rtdb:i" => \$rtdb, ## Column number in which is the retention time of the personal data bank + "outputJson:s" => \$out_json, ## option : path to the ouput (results) + "outputXls:s" => \$out_xls, ## option : path to the ouput (tabular : results ) + "outputTab:s" => \$out_tab, ## path to the ouput (tabular : input+results (1 col) ) + "outputView:s" => \$out_html, ## option : path to the results view (output2) + "outputFull:s" => \$out_full, ## path to the ouput (tabular : input+results (x col) ) + ) ; + +#============================================================================= +# EXCEPTIONS +#============================================================================= +## if you put the option -help or -h function help is started +if ( defined $help ) { &help() ; } + +#============================================================================= +# MAIN SCRIPT +#============================================================================= + + +print "The bank_inhouse program is launched as:\n"; +print "./bank_inhouse.pl " ; +print "--h " if (defined $help) ; +print "--masse $mass " if (defined $mass) ; +print "--input $masses_file " if (defined $masses_file) ; +print "--rest $rest_mode " if (defined $rest_mode) ; +print "--nbheader $nbline_header " if (defined $nbline_header) ; +print "--colrt $col_rt " if (defined $col_rt) ; +print "--rt $manual_rt " if (defined $manual_rt) ; +print "--colmass $col_mass " if (defined $col_mass) ; +print "--mz_delta $mz_delta_type " if (defined $mz_delta_type) ; +print "--mass_delta $mz_delta " if (defined $mz_delta) ; +print "--mode $mode " if (defined $mode) ; +print "--tissues $tissues " if (defined $tissues) ; +print "--bank_in $bank_in " if (defined $bank_in) ; +print "--bank_name $bank_name " if (defined $bank_name) ; +print "--mzdb $col_mzdb " if (defined $col_mzdb) ; +print "--rtdb $rtdb " if (defined $rtdb) ; +print "--outputJson $out_json " if (defined $out_json) ; +print "--outputXls $out_xls " if (defined $out_xls) ; +print "--outputTab $out_tab " if (defined $out_tab) ; +print "--outputView $out_html " if (defined $out_html) ; +print "--outputFull $out_full " if (defined $out_full) ; +print "\n" ; + + + +## -------------- Conf file ------------------------ : +my ( $CONF, $PF_CONF ) = ( undef, undef ) ; +foreach my $conf ( <$binPath/*.cfg> ) { + my $oConf = lib::conf::new() ; + $CONF = $oConf->as_conf($conf) ; +} + +## PForest dedicated conf +if ((defined $rest_mode ) and ( $rest_mode eq "yes" )) { + foreach my $ini ( <$binPath/*.ini> ) { + my $oConf = lib::conf::new() ; + $PF_CONF = $oConf->as_conf($ini) ; + } +} + +## --------------- Global parameters ---------------- : +my ( $masses, $rt, $results, $header_choice ) = ( undef, undef, undef, undef, undef ) ; ############## +my ( $complete_rows, $nb_pages_for_html_out ) = ( undef, 1 ) ; + +my $oBih = lib::bih::new() ; + +## --------------- retrieve input data -------------- : + +## manage manual mass(es) +if ( ( defined $mass ) and ( $mass ne "" ) ) { + $mass =~ tr/,/./ ; + @$masses = split(' ', $mass); + if ( ( defined $manual_rt ) and ( $manual_rt ne "" ) ) { + $manual_rt =~ tr/,/./ ; + @$rt = split(' ', $manual_rt) ; + if ( $#$rt != $#$masses) { croak "You have not given the same number of masses and retention time\n" ; } + } +} ## END IF + +## manage csv file containing list of masses +elsif ( ( defined $masses_file ) and ( $masses_file ne "" ) and ( -e $masses_file ) ) { + ## parse all csv for later : output csv build + my $ocsv_input = lib::csv->new() ; + my $complete_csv = $ocsv_input->get_csv_object( "\t" ) ; + $complete_rows = $ocsv_input->parse_csv_object($complete_csv, \$masses_file) ; + + ## parse csv ids and masses + my $ocsv = lib::csv->new() ; + my $csv = $ocsv->get_csv_object( "\t" ) ; + if ( ( defined $nbline_header ) and ( $nbline_header > 0 ) ) { $header_choice = 'yes' ; } else{ $header_choice = 'no' ; } + $masses = $ocsv->get_value_from_csv_multi_header( $csv, $masses_file, $col_mass, $header_choice, $nbline_header ) ; ## retrieve mz values on csv + if ( ( defined $col_rt ) and ( $col_rt ne "" ) ) { + $rt = $ocsv->get_value_from_csv_multi_header( $csv, $masses_file, $col_rt, $header_choice, $nbline_header ) ; ## retrieve rt values on csv + } +} + +# --------------- retrieve personal data bank input -------------- : + +my ($complete_bank, $bank_head) = (undef, undef) ; + +## check up $bank_in and parse +if ( ( defined $bank_in ) and ( $bank_in ne '' ) and ( -e $bank_in ) and ( defined $col_mzdb ) and ( $col_mzdb ne '' ) ) { + ## parse csv bank_in + my $ocsv_input = lib::csv->new() ; + my $complete_csv = $ocsv_input->get_csv_object( "\t" ) ; + ($complete_bank, $bank_head)= $oBih->parse_bank_interest($complete_csv, \$bank_in, $col_mzdb-1) ; +} +## manage rest service of PeakForest and set $masses and $rt with given databases +elsif ( ( defined $rest_mode ) and ( $rest_mode eq "yes" ) ) { + $bank_name = "PeakForest"; + if ( ( $PF_CONF->{PF_GLOBAL_TOKEN} ne "" ) and ( $PF_CONF->{PF_WS_URL} ne "" ) ) { + ## init + my $opfws = lib::bih::new() ; + ## get min and max values of user query + my ($min, $max) = (0, 0) ; + + if ( ( defined $masses ) and ( scalar (@{$masses}) > 0 ) ) { + $min = min @{$masses} ; + $max = max @{$masses} ; +# print Dumper $masses ; + ## TODO: adjust min and max with delta + my ( $min_delta, undef ) = $opfws->mz_delta_conversion(\$min, \$mz_delta_type, \$mz_delta) ; + my ( undef, $max_delta ) = $opfws->mz_delta_conversion(\$max, \$mz_delta_type, \$mz_delta) ; + + ## get clean range database json from PForest WS : + my $pf_json = $opfws->db_pforest_get_clean_range($PF_CONF->{PF_WS_URL}, $PF_CONF->{PF_REST_QUERY_CLEAN_RANGE}, $$min_delta, $$max_delta, $mode) ; + if (defined $pf_json) { + ($complete_bank, $bank_head) = $opfws->map_pfjson_bankobject($pf_json) ; + } + } ## End IF + else { + croak "Fatal error : your mass list is empty\n" ; + } + } ## End IF PForest param + else { croak "Can't work : missing a PForest REST paramater\n" ; } +} ## End ELSIF PForest +elsif ( ( defined $CONF->{'INHOUSE_BANK'} ) and ( $CONF->{'INHOUSE_BANK'} ne '' ) ) { + $col_mzdb = 4; + $bank_name = "internal_bank"; + if ( (defined $col_rt) or (defined $manual_rt) or (defined $rt_delta) ) { croak "No retention time in the internal bank, please use your own bank\n" ; } + my $html_file = $binPath.'/'.$CONF->{'INHOUSE_BANK'} ; + if ( -e $html_file ) { + ## parse all csv for later : output csv build + my $ocsv_input = lib::csv->new() ; + my $complete_csv = $ocsv_input->get_csv_object( "\t" ) ; + ($complete_bank, $bank_head)= $oBih->parse_bank_interest($complete_csv, \$html_file, $col_mzdb-1) ; + } + else { croak "Can't work : no local inhouse bank name '$html_file'\n" ; } +} +else { croak "Can't work : missing an inhouse bank\n" ; } + +## ---------------- launch queries -------------------- : + +my $ionization = undef ; +my $characterization = undef ; +my $valH = undef ; +my $bank = undef ; +my $search_condition = undef ; + +#($valH, $ionization)= $oBih->manage_mode($mode, $CONF->{'PROTON_MZ'}, $CONF->{'ELECTRON_MZ'}) ; + +######### Manage Tissues ############################################################################## +#if ( ( !defined $tissues ) or ( $tissues eq '' ) or ( $tissues eq 'none' ) ) { +# $characterization = ['None']; +#} else { @{$characterization} = split(",", $tissues); } +######### End ######################################################################################### + +#if ( (@$ionization = (['None'])) and (@$characterization = (['None']))) { $bank = $complete_bank; } +#else { $bank = FILTER LA BANK; } +$bank = $complete_bank; +$valH = 0 ; + +#if ( ( defined $mz_delta ) and ( $mz_delta > 0 ) and ( defined $ionization ) and ( defined $characterization ) and ( defined $masses ) and ( defined $ids ) and ( defined $bank ) ) { +# $search_condition = "Search params : Molecular specie = $mode / delta = $mz_delta / characterization and localization = $tissues \n bank file = $bank_in" ; + +if ( ( defined $mz_delta ) and ( $mz_delta >= 0 ) and ( defined $masses ) and ( defined $bank ) ) { + ## prepare masses list and execute query + $results = [] ; + if ($mz_delta != 0){ + my @sort_masses_bank = sort { $a <=> $b } keys(%$bank); + + my $compt_masses = 0; + foreach my $mz (@$masses) { + $compt_masses++; + my ($MZmessage) = $oBih->check_interval($mz, 0, 10000) ; + if ( $MZmessage eq 'OK' ){ + my ( $min, $max ) = $oBih->mz_delta_conversion(\$mz, \$mz_delta_type, \$mz_delta) ; + + my ($marj_inf) = $oBih->dichotomi_search(\@sort_masses_bank, $min) ; + my ($marj_sup) = $oBih->dichotomi_search(\@sort_masses_bank, $max) ; + + my $result = []; + if($$marj_inf != $$marj_sup){ + if ($$marj_inf == -1){ $$marj_inf=0; } + for (my $i=$$marj_inf; $i<$$marj_sup; $i++){ + my $bank_tmp = $$bank{$sort_masses_bank[$i]}; + if ( ( defined $rt ) and ( $rt ne "" ) ) { + my ($RTmessage) = $oBih->check_interval($$rt[$compt_masses-1], 0, 60) ; + if ( $RTmessage eq 'OK' ){ + my $bank_rt = []; + for(my $nb_rt=0; $nb_rt<=$#$bank_tmp; $nb_rt++){ + my ($RTbank) = $oBih->check_interval($bank_tmp->[$nb_rt]->[$rtdb-1], 0, 60) ; + my ($RTsearch) = $oBih->check_interval($bank_tmp->[$nb_rt]->[$rtdb-1], $$rt[$compt_masses-1]-$rt_delta, $$rt[$compt_masses-1]+$rt_delta) ; + if ( ($RTbank eq 'OK') and ($RTsearch eq 'OK') ){ + push (@$result, $bank_tmp->[$nb_rt]) ; + } + elsif ($RTbank ne 'OK'){ croak "At least one retention time in bank is not valid : $RTbank\n" ; } + } + } + else { croak "The $compt_masses th analyzed retention time : $RTmessage\n" ; } + } + else { push (@$result, @$bank_tmp) ; } + } + } + else{ $result = []; } + push (@$results, [@$result]) ; + } + else { croak "The $compt_masses th value : $MZmessage\n" ; } + print Dumper $results if ($verbose>2) ; + } ## End FOREACH MZ queried + } ## End IF + else{ + my $result = []; + my $compt_masses = 0; + foreach my $mz (@$masses) { + $compt_masses++; + my ($MZmessage) = $oBih->check_interval($mz, 0, 10000) ; + if ( $MZmessage eq 'OK' ){ + if ($$bank{$mz}){ + my $bank_tmp = $$bank{$mz}; + if ( ( defined $rt ) and ( $rt ne "" ) ) { + my ($RTmessage) = $oBih->check_interval($$rt[$compt_masses-1], 0, 60) ; + if ( $RTmessage eq 'OK' ){my $bank_rt = []; + for(my $nb_rt=0; $nb_rt<=$#$bank_tmp; $nb_rt++){ + my ($RTbank) = $oBih->check_interval($bank_tmp->[$nb_rt]->[$rtdb-1], 0, 60) ; + my ($RTsearch) = $oBih->check_interval($bank_tmp->[$nb_rt]->[$rtdb-1], $$rt[$compt_masses-1]-$rt_delta, $$rt[$compt_masses-1]+$rt_delta) ; + if ( ($RTbank eq 'OK') and ($RTsearch eq 'OK') ){ + push (@$bank_rt, $bank_tmp->[$nb_rt]) ; + } + elsif ($RTbank ne 'OK'){ croak "At least one retention time in bank is not valid : $RTbank\n" ; } + } + if ($#$bank_rt>=0){ ## If there is at least one result + push (@$result, $bank_rt) ; + } ## else $bank_rt = [] as defined + } + else { croak "The $compt_masses th analyzed retention time : $RTmessage\n" ; } + } + else { push (@$result, [$bank_tmp]) ; } + } + else { push (@$result, [] ) ; } + } + else { croak "The $compt_masses th mass : $MZmessage\n" ; } + } + $results = [@$results, @$result] ; + } +} +else { + croak "Can't work : missing paramaters (list of ids, masses, delta, ionization, characterization or inhouse_bank)\n" ; +} ## end ELSE + + +if ( ( defined $rt ) and ( $rt ne "" ) ) { unshift (@$bank_head, ("DELTA_mass(".$mz_delta.$mz_delta_type.")", "MASS_Result", "DELTA_RT(".$rt_delta.")", "RT_Result")) ; } +else { unshift (@$bank_head, ("DELTA_mass(".$mz_delta.$mz_delta_type.")", "MASS_Result")) ; } + + +## -------------- Produce JSON output ------------------ : +if ( ( defined $out_json ) and ( defined $results ) ) { + open(JSON, '>:utf8', "$out_json") or die "Cant' create the json file\n" ; + print JSON Dumper $results; + close(JSON) ; +} ## END IF +else { + #croak "Can't create a json output for Massbank : no result found or your output file is not defined\n" ; +} + +## -------------- Produce HTML output ------------------ : + +#if ( ( defined $out_html ) and ( defined $results ) ) { +# ## Uses N mz and theirs entries per page (see config file). +# # how many pages you need with your input mz list? +# $nb_pages_for_html_out = ceil( scalar(@{$masses} ) / $CONF->{HTML_ENTRIES_PER_PAGE} ) ; +# +# my $oHtml = lib::bih::new() ; +# my ($tbody_object) = $oHtml->set_html_tbody_object( $nb_pages_for_html_out, $CONF->{HTML_ENTRIES_PER_PAGE} ) ; +# ($tbody_object) = $oHtml->add_mz_to_tbody_object($tbody_object, $CONF->{HTML_ENTRIES_PER_PAGE}, $masses, $ids) ; +# ($tbody_object) = $oHtml->add_entries_to_tbody_object($tbody_object, $CONF->{HTML_ENTRIES_PER_PAGE}, $masses, $results) ; +# print Dumper $tbody_object;exit; +# my $output_html = $oHtml->write_html_skel(\$out_html, $tbody_object, $nb_pages_for_html_out, $search_condition, $CONF->{'HTML_TEMPLATE'}, $CONF->{'JS_GALAXY_PATH'}, $CONF->{'CSS_GALAXY_PATH'}) ; +# +#} ## END IF +#else { croak "Can't create a HTML output for HMDB : no result found or your output file is not defined\n" ; } + +## -------------- Produce XLS like output ------------------ : +if ( ( defined $out_xls ) and ( defined $results ) ) { + my $oxls = lib::bih::new() ; + $oxls->write_excel_like_mass($masses, $mz_delta_type, $mz_delta, $col_mzdb, $rt, $rt_delta, $rtdb, $results, $out_xls, $bank_head) ; +} ## END IF +else { croak "Can't create a tabular output for BiH (like xls): no result found or your output file is not defined\n" ; } + +## -------------- Produce CSV output ------------------ : +if (defined $results) { + if ( defined $masses_file ) { # produce a csv based on METLIN format + if ( defined $out_tab ) { + my $sep = "#"; + my $ocsv = lib::bih::new() ; + my $lm_matrix = undef ; + if ( ( $header_choice eq 'yes' ) and ( defined $nbline_header ) and ( $nbline_header > 0 )) { + my $header = join("$sep", @$bank_head); + my $out_head = "BiH_".$bank_name."_(".$header.")"; + $lm_matrix = $ocsv->set_lm_matrix_object($out_head, $masses, $col_mzdb, $results, $rt, $rtdb, $bank_head, $sep ) ; + $lm_matrix = $ocsv->add_lm_matrix_to_input_matrix($complete_rows, $lm_matrix, $nbline_header-1) ; + } + elsif ( ( $header_choice eq 'no' ) or ( $nbline_header <= 0 )) { + $lm_matrix = $ocsv->set_lm_matrix_object(undef, $masses, $col_mzdb, $results, $rt, $rtdb, $bank_head, $sep ) ; + $lm_matrix = $ocsv->add_lm_matrix_to_input_matrix($complete_rows, $lm_matrix, 0) ; + } + else { croak "The number of header line is not identifiable\n" ; } + $ocsv->write_csv_skel(\$out_tab, $lm_matrix) ; + } + else { croak "Can't create a tabular output for BiH : your output file is not defined\n" ; } + } + elsif (defined $mass) { } ## no csv output for manual masses + else { croak "the input format is not identifiable or your output file is not defined\n" ; } +} ## END IF +else { croak "Can't create a tabular output for BiH : no result found\n" ; } + +## -------------- Produce Full output ------------------ : +if (defined $results) { + if ( defined $masses_file ) { + if ( defined $out_full ) { + my $sep = "\t"; + my $ofull = lib::bih::new() ; + if ( ( $header_choice eq 'yes' ) and ( defined $nbline_header ) and ( $nbline_header > 0 )) { + $ofull->write_full_excel_like($complete_rows, $sep, $masses, $mz_delta_type, $mz_delta, $col_mzdb, $rt, $rt_delta, $rtdb, $results, $out_full, $nbline_header, $bank_head, "BiH_$bank_name") ; + } + elsif ( ( $header_choice eq 'no' ) or ( $nbline_header <= 0 )) { + $ofull->write_full_excel_like($complete_rows, $sep, $masses, $mz_delta_type, $mz_delta, $col_mzdb, $rt, $rt_delta, $rtdb, $results, $out_full, 0, undef, undef) ; + } + else { croak "The number of header line is not identifiable\n" ; } + } + } + elsif (defined $mass) { } ## no csv output for manual masses + else { croak "the input format is not identifiable or your output file is not defined\n" ; } +} ## END IF +else { croak "Can't create a full output for BiH : no result found\n" ; } + + +#==================================================================================== +# Help subroutine called with -h option +# number of arguments : 0 +# Argument(s) : +# Return : 1 +#==================================================================================== +sub help { + print STDERR " +bank_inhouse + +# bank_inhouse is a script to query a in house bank (file) using chemical mass and return a list of common names. +# Input : mass or list of masses +# Author : Marion LANDI and Franck Giacomoni (for the Rest part) +# Email : franck.giacomoni\@clermont.inra.fr +# Version : 1.1 +# Created : 15/10/2014 +# Updated : 15/12/2015 +USAGE : + bank_inhouse.pl -masse [mass] + -tolerance [Delta of mass (Da)] -mode [Ionization type: positive/negative/neutral] + -tissues [Restricted to certain tissues] -- optionnal + -bank_in [file for in personal house bank] -- optionnal + -outputTab [output file tabular format] -outputView [output file html format] + -verbose + OR + bank_inhouse.pl -input [path to list of masses file] + -nbHeader [nb of lines of headers : 0-n] -colId [Ids colunm number in input file] -colmass [masses col] -colrt [RT col] + -tolerance [Delta of mass (Da)] -mode [molecular type: positive/negative/neutral] + -bank_in [file for in house bank] + -tissues [Restricted to certain tissues] + -outputTab [output file tabular format] -outputView [output file html format] + + OR + bank_inhouse.pl -masse [mass] + -rest [get the PeakForest ref db : yes|no] + -mz_delta [Delta type for mass (Da or PPM)] -mass_delta [Delta for mass (Da or PPM)] -mode [molecular type: positive/negative/neutral] + -outputXls [output xls format] + + Others output formats: + -outputJson [output json format] -outputFull [output format is input+res] + "; + exit(1); +} + +## END of script - M Landi + +__END__ + +=head1 NAME + + bank_inhouse.pl -- script for + +=head1 USAGE + + bank_inhouse.pl -precursors -arg1 [-arg2] + or bank_inhouse.pl -help + +=head1 SYNOPSIS + +This script manage ... + +=head1 DESCRIPTION + +This main program is a ... + +=over 4 + +=item B<function01> + +=item B<function02> + +=back + +=head1 AUTHOR + +Marion LANDI E<lt>marion.landi@clermont.inra.frE<gt> + +=head1 LICENSE + +This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself. + +=head1 VERSION + +version 1 : 15 / 10 / 2014 + +version 2 : 21 / 11 / 2014 + +=cut
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/bank_inhouse.xml Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,446 @@ +<tool id="bank_inhouse" name="bank_inhouse" version="1.1.3"> + <description> + search by accurate mass (and by Retention time) on a local bank + </description> + + <requirements> + <requirement type="package" version="2.90">perl-json</requirement> + <requirement type="package" version="1.97">perl-text-csv</requirement> + <requirement type="package" version="6.15">perl-lwp-simple</requirement> + <requirement type="package" version="1.74">perl-uri</requirement> + <requirement type="package" version="1.19">perl-soap-lite</requirement> + <requirement type="package" version="2.97">perl-html-template</requirement> + <requirement type="package" version="0.428">perl-list-moreutils</requirement> + <requirement type="package" version="6.15">perl-libwww-perl</requirement> + </requirements> + <stdio> + <exit_code range="1" level="fatal" /> + </stdio> + + <command><![CDATA[ + perl $__tool_directory__/bank_inhouse.pl + + #if str($input_type.choice) == "YES": + -input "${input_type.variableMetadata_in}" + #if str($input_type.header.header_choice) == "YES": + -nbheader "${input_type.header.nbheader}" + #end if + + -colmass "${input_type.colmass}" + #if str($input_type.use_file_rt.rt_file_choice) == "YES": + -colrt "${input_type.use_file_rt.colrt}" + -rt_delta "${input_type.use_file_rt.rt_file_delta}" + #end if + #else: + #if str($input_type.use_rt.rt_choice) == "YES": + -rt "${input_type.use_rt.rt}" + -rt_delta "${input_type.use_rt.rt_delta}" + #end if + -masse "${input_type.masse}" + #end if + + -mz_delta "${mz_delta_type.mz_delta}" + -mass_delta "${mz_delta_type.mass_delta}" + + #if str($bank_type.perso_bank) == "YES": + -bank_in "${bank_type.bank_in}" -bank_name "${bank_type.bank_in.name}" + -mzdb "${bank_type.mzdb}" + #if str($bank_type.bank_rt.bank_rt_choice) == "YES": + -rtdb "${bank_type.bank_rt.rtdb}" + #end if + #end if + + #if str($input_type.choice) == "YES": + -outputTab "$variableMetadata_out" + -outputXls "$bankInhouseResXls_filein" + #if str($outfiles) == "YES": + -outputFull "$variableMetadata_full_out" + #end if + #else: + -outputXls "$bankInhouseResXls_manualin" + #end if + + #if str($outfiles) == "YES": + -outputJson "$Json" + #end if + ]]></command> + + <inputs> + <conditional name="input_type"> + <param name="choice" type="select" display="radio" label="* Would you use a file?" help="if 'NO' is selected then one or more mass(es) must be entered manually"> + <option value="NO">NO</option> + <option value="YES" selected="true">YES</option> + </param> + <when value="YES"> + <param name="variableMetadata_in" type="data" label="FILE OF MASSES (format: tabular)" help="Generally variable metadata file" format="tabular" /> + + <conditional name="header"> + <param name="header_choice" type="boolean" checked="true" truevalue="YES" falsevalue="NO" label="Do you have a header?" help="if 'YES' is selected then enter your number of header lines" /> + <when value="YES"> + <param name="nbheader" type="integer" label="Number of header lines" value="1" min="1" max="10" help="number of lines not containing masses"/> + </when> + <when value="NO"/> + </conditional> + + <conditional name="use_file_rt"> + <param name="rt_file_choice" type="boolean" checked="true" truevalue="YES" falsevalue="NO" label="Would you use retention time (RT)?" help="Do you have retention times in your bank? In your analyzed file? Would you use it?" /> + <when value="YES"> + <param name="colrt" label="Column of retention time (RT)" type="data_column" data_ref="variableMetadata_in" accept_default="true" /> + <param name="rt_file_delta" label="Delta of retention time (RT) (in minutes)" type="float" value="0.1" min="0" max="60" help="Default value is 0.1min"/> + </when> + <when value="NO"/> + </conditional> + + <param name="colmass" label="Column of masses (MZ)" type="data_column" data_ref="variableMetadata_in" accept_default="true" /> + </when> + <when value="NO"> + <conditional name="use_rt"> + <param name="rt_choice" type="boolean" checked="true" truevalue="YES" falsevalue="NO" label="Would you use retention time (RT)?" help="Do you have retention times in your bank? Would you use it?" /> + <when value="YES"> + <param name="rt" label="retention time (RT) to submit" type="text" size="10" help="For a rt list, writes : rt1 rt2 rt3. Your values ​​must be separated by spaces. You should use dot (.) like decimal separator"/> + <param name="rt_delta" label="Delta of retention time (RT) (in minutes)" type="float" value="0.1" min="0" max="60" help="Default value is 0.1min"/> + </when> + <when value="NO"/> + </conditional> + + <param name="masse" type="text" label="Mass (MZ) to submit" size="20" help="For a masses list, writes : m1 m2 m3. Your values ​​must be separated by spaces. You should use dot (.) like decimal separator"/> + </when> + </conditional> + + <conditional name="mz_delta_type"> + <param name="mz_delta" label="Delta type" type="select" display="radio" help=""> + <option value="Da">Da</option> + <option value="ppm">ppm</option> + </param> + <when value="Da"> + <param name="mass_delta" label="Delta of mass (MZ) (in Dalton)" type="float" value="0.005" min="0" max="3000" help="Default value is 0.005 Da"/> + </when> + <when value="ppm"> + <param name="mass_delta" label="Delta of mass (MZ) (in ppm)" type="float" value="5" min="0" max="300000" help="Default value is 5 ppm"/> + </when> + </conditional> + + <conditional name="bank_type"> + <param name="perso_bank" type="boolean" checked="true" truevalue="YES" falsevalue="NO" label="* Use personal data bank?" help="if 'NO' is selected an internal file will be used! It doesn't contain a retention time (RT)" /> + <when value="YES"> + <param name="bank_in" type="data" label="BANK FILE" help="" format="tabular" /> + <param name="mzdb" label="Column of masses (MZ) in Bank file" type="data_column" data_ref="bank_in" accept_default="true" /> + <conditional name="bank_rt"> + <param name="bank_rt_choice" type="boolean" checked="true" truevalue="YES" falsevalue="NO" label="Have you used the retention time (RT) for your input data?" help="Do you have retention times in your bank? In your analyzed data? Would you use it?" /> + <when value="YES"> + <param name="rtdb" label="Column of retention time (RT) in Bank file" type="data_column" data_ref="bank_in" accept_default="true" /> + </when> + <when value="NO"/> + </conditional> + </when> + <when value="NO"/> + </conditional> + <param name="outfiles" type="select" label="* Would you more output?" display="radio" help="if 'YES' is selected then 2 more files will be generate (JSON + variableMetadata and bank full column)"> + <option value="YES">YES</option> + <option value="NO" selected="true">NO</option> + </param> + </inputs> + + <outputs> + <data name="variableMetadata_out" format="tabular" label="${tool.name}_${input_type.variableMetadata_in.name}_TSV" > + <filter>(input_type['choice'] == 'YES')</filter> + </data> + <data name="bankInhouseResXls_filein" format="tabular" label="${tool.name}_${input_type.variableMetadata_in.name}_XLS" > + <filter>(input_type['choice'] == 'YES')</filter> + </data> + <data name="variableMetadata_full_out" format="tabular" label="${tool.name}_${input_type.variableMetadata_in.name}_full_TSV" > + <filter>(input_type['choice'] == 'YES')</filter> + <filter>(outfiles == 'YES')</filter> + </data> + <data name="bankInhouseResXls_manualin" format="tabular" label="${tool.name}_manual_XLS" > + <filter>(input_type['choice'] == 'NO')</filter> + </data> + <data name="Json" format="vjson" label="${tool.name}_Json" > + <filter>(outfiles == 'YES')</filter> + </data> + <!--<data name="View" format="html" label="${tool.name}_View" ></data>--> + </outputs> + + <tests> + <test> + <param name="choice" value="NO"/> + <param name="rt_choice" value="NO"/> + <param name="masse" value="422.0849114 18.0105647 535.3181236 209.987659 98.952389"/> + <param name="mz_delta" value="Da"/> + <param name="mass_delta" value="0.005"/> + <param name="perso_bank" value="NO"/> + <param name="outfiles" value="NO"/> + <output name="bankInhouseResXls_manualin" file="out_test1.tabular"/> + </test> + <test> + <param name="choice" value="YES"/> + <param name="variableMetadata_in" value="in_test2.tabular"/> + <param name="header_choice" value="YES"/> + <param name="nbheader" value="1"/> + <param name="rt_file_choice" value="NO"/> + <param name="colmass" value="2"/> + <param name="mz_delta" value="Da"/> + <param name="mass_delta" value="0.005"/> + <param name="perso_bank" value="NO"/> + <param name="outfiles" value="NO"/> + + <output name="variableMetadata_out" file="out_test2a.tabular"/> + <output name="bankInhouseResXls_filein" file="out_test2b.tabular"/> + </test> + <!-- + <test> + <param name="choice" value="YES"/> + <param name="variableMetadata_in" value="in_test3.tabular"/> + <param name="header_choice" value="YES"/> + <param name="nbheader" value="1"/> + <param name="rt_file_choice" value="NO"/> + <param name="colmass" value="2"/> + <param name="mz_delta" value="Da"/> + <param name="mass_delta" value="0.005"/> + <param name="perso_bank" value="NO"/> + <param name="outfiles" value="NO"/> + + <output name="variableMetadata_out" file="out_test3a.tabular"/> + <output name="bankInhouseResXls_filein" file="out_test3b.tabular"/> + </test> + <test> + <param name="choice" value="YES"/> + <param name="variableMetadata_in" value="in_test4.tabular"/> + <param name="header_choice" value="YES"/> + <param name="nbheader" value="1"/> + <param name="rt_file_choice" value="YES"/> + <param name="colrt" value="10"/> + <param name="rt_file_delta" value="0.2"/> + <param name="colmass" value="8"/> + <param name="mz_delta" value="Da"/> + <param name="mass_delta" value="0"/> + <param name="perso_bank" value="YES"/> + <param name="bank_in" value="in_test4.tabular"/> + <param name="mzdb" value="8"/> + <param name="bank_rt_choice" value="YES"/> + <param name="rtdb" value="10"/> + <param name="outfiles" value="YES"/> + + <output name="variableMetadata_out" file="out_test4a.tabular"/> + <output name="bankInhouseResXls_filein" file="out_test4b.tabular"/> + <output name="variableMetadata_full_out" file="out_test4c.tabular"/> + <output name="Json" file="out_test4d.vjson"/> + </test>--> + </tests> + + <help><![CDATA[ + +.. class:: infomark + +**Authors** + | Marion Landi - FLAME ; PFEM ; INRA ; MetaboHUB (for original version and development of this Perl script and for xml interface and Perl wrapper) + +--------------------------------------------------- + + +============== +bank_inhouse +============== + +----------- +Description +----------- + + | Search informations on a local bank with one or more mass(es), with or without retention time, in a file or entered manually + + +Keywords +======== + +Masses + rt to inhouse info + + +----------------- +Workflow position +----------------- + + +.. image:: bank_inhouse.png + :width: 800 + + +----------- +Input files +----------- + + ++-----------------------------+-----------+ +| Parameter : num + label | Format | ++=============================+===========+ +| 1 : File of masses | tabular | ++-----------------------------+-----------+ +| 2 : personal data bank file | tabular | ++-----------------------------+-----------+ + +File of masses (Generally variable metadata file) must have at least the 2 following column : + | Id : column to identify masses in the tsv input file + | Masses : column with all the masses in the tsv input file + | RT : (optional) column with all the retention time in the tsv input file + | + +personal data bank file must contain certain columns : + | Masses (Mandatory) and RT (optional) + | + +---------- +Parameters +---------- + +Would you use a file + | Choose whether the masses are in a file or entered manually + | YES (default) : parameters **File of masses ; Do you have a header ; Column of Id ; Column of masses** are visible + | NO : parameter **Mass to submit** is visible + | + + +If 'use file'='YES' + +File of masses + | see "Input files" section above + | Tabular file format, Generally variable metadata file + | + +Do you have a header + | YES (default) : parameter **Number of header lines** is visible + | NO : all lines are considered to contain masses + | + +If 'have a header'='YES' + +Number of header lines + | Number of lines not containing masses values, these lines will be ignored + | + +In all header cases : + +Column of Id + | Specify the column number for the id in the tsv input file + | + +Would you use retention time (RT) + | YES (default) : parameter **Column of retention time (RT)** and **Delta of retention time (RT) (in minutes)** are visible + | NO : Search will be made solely on the basis of the masses + | + +If 'Would you use retention time (RT)'='YES' + +Column of retention time (RT) + | Specify the column number for the retention time (RT) in the tsv input file + | + +Delta of retention time (RT) (in minutes) + | Specify a delta to apply on retention time - This value is a float. + | + +In all RT cases : + +Column of masses + | Specify the column number for the mass in the tsv input file + | + + +If 'use file'='NO' + +Would you use retention time (RT) + | YES (default) : parameter **retention time (RT) to submit** and **Delta of retention time (RT) (in minutes)** are visible + | NO : Search will be made solely on the basis of the masses + | + +If 'Would you use retention time (RT)'='YES' + +retention time (RT) to submit + | Specify a list of retention time to request + | one or more retention time entered manually + | For a RT list, writes : rt1 rt2 rt3 + | You must separate yours values with space + | dot (.) is for float number + | +Delta of retention time (RT) (in minutes) + | Specify a delta to apply on retention time - This value is a float. + | + +In all RT cases : + +Mass to submit + | Specify a list of mass to request + | one or more mass(es) entered manually + | For a masses list, writes : m1 m2 m3 + | You must separate yours values with space + | dot (.) is for float number + | + +In all cases : + +Delta type + | Specify a delta type : "in Dalton" or "in ppm" + | + +Delta of mass ("in Dalton" or "in ppm" according to choice) + | Specify a delta to apply on mass - This value is a float. + | + +Use personal data bank + | YES : parameter **Bank file**, **Column of masses (MZ) in Bank file** and **Column of retention time (RT) in Bank file** (optional) are visible, the search will be made only on the information of the file + | NO : a internal bank will be used + | + +If 'Use personal data bank'='YES' + +Bank file + | see "Input files" section above + | Tabular file format, Generally variable metadata file + | + +Column of masses + | Specify the column number for the mass in the bank input file + | + +Have you used the retention time (RT) for your input data + | Answering same as for "Would you use retention time (RT)" + | YES (default) : parameter **Column of retention time (RT) in Bank file** is visible + | NO : Search will be made solely on the basis of the masses + | + +Column of retention time (RT) in Bank file + | Specify the column number for the rt in the bank input file + | + + +------------ +Output files +------------ + +Two types of files (if you manually enter the masses both files are mingled): + | bank_inhouse_(input.name)_TSV.tabular : for linking with others modules. + | + | bank_inhouse_(input.name)_XLS.tabular : an excel-like output will be available. + | + + +--------------------------------------------------- + + +--------------- +Working example +--------------- + + +.. class:: warningmark + +Refer to the corresponding W4M HowTo section: http://workflow4metabolomics.org/howto + | Format Data For Postprocessing + | Perform LCMS Annotations + +.. class:: warningmark + +And their "W4M courses 2016": + | Using Galaxy4Metabolomics - W4M table format for Galaxy + | Annotation Banks - Annotation + + ]]></help> +</tool>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/bih.tmpl Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,129 @@ +<?xml version="1.0" encoding="UTF-8" ?> +<!DOCTYPE html> +<html lang="en"> + <head> + <meta charset="utf-8"> + <meta name="viewport" content="width=device-width, initial-scale=1.0"> + <meta name="description" content=""> + <meta name="author" content="INRA de Clermont-Ferrand"> + + <title>Galaxy bank_inhouse queries - All results</title> + + <link rel="stylesheet" href="css.php" media="all"> + <link rel="stylesheet" href="<TMPL_VAR NAME=CSS_GALAXY_PATH>/simplePagination.css"/> + + <!-- JavaScript --> + <script src="https://ajax.googleapis.com/ajax/libs/jquery/1.7.2/jquery.min.js"></script> + <script src="<TMPL_VAR NAME=JS_GALAXY_PATH>/jquery.simplePagination.js"></script> + <style> + + body {padding-top: 70px} + div.lm-table-warning {font-size: 1.4em;font-weight: bold;padding-right: 25px;color: #21536a;margin-left: 3px;} + tr.green td {background-color: #eaf2d3; color: black;} + tr.blank td {background-color: #9999CC; color: black;} + table {font-family:\"Trebuchet MS\", Arial, Helvetica, sans-serif;width:100%;border-collapse:collapse;} + table.detail, table.detail tr.parent, table.detail td, table.detail th, table.detail tr.category {border-collapse:collapse;border:1px solid #98bf21;} + table.detail th {font-size: 1.2em;text-align: center;padding-top: 5px;padding-bottom: 10px;background-color: #a7c942;color: #ffffff;} + td.center-align {text-align:center;} + footer {margin: 50px 0;} + + </style> + <script> + function test(pageNumber) + { + var page="#page-id-"+pageNumber; + $('.select').hide() + $(page).show() + + } + </script> + </head> + <body> + <div class="container"> + <div class="lm-table-warning">Results of bank_inhouse queries - <TMPL_VAR NAME=CONDITIONS></div> + <div id="detail_table_source" style="display:none"></div> + <p> + <div id="choose"> + </div> + <p> + + <div id="ms_search_0" class="ms-search-table"></div> + <!-- HeadRows--> + <table id="detail_table" class="detail"> + <col style="width:30px;"><!-- Ids (m/z)--> + <col style="width:30px;"><!-- Mass (m/z)--> + <col style="width:30px;"><!-- Compound--> + <col style="width:120px;"><!-- name--> + <col style="width:40px;"><!-- adduct--> + <col style="width:50px;"><!-- adduct type--> + <col style="width:60px;"><!-- adduct mw--> + <col style="width:60px;"><!-- cpd mw--> + <col style="width:50px;"><!-- delta--> + <thead> + <th>ID from input</th> + <th>Mass (m/z)</th> + <th>Compound_ID</th> + <th>Formula</th> + <th>Compound MW (Da)</th> + <th>Adduct</th> + <th>Adduct_Type</th> + <th>Adduct MW (Da)</th> + <th>Delta</th> + </thead> + <TMPL_LOOP NAME=PAGES> + <tbody class="select" id="page-id-<TMPL_VAR NAME=PAGE_NB>"> + <TMPL_LOOP NAME=MASSES> + <tr class="<TMPL_VAR NAME=MZ_COLOR>"> + <td class="center-align" ><TMPL_VAR NAME=MASSES_ID_QUERY></td> + <td id="<TMPL_VAR NAME=MASSES_NB>" class="center-align" ><TMPL_VAR NAME=MASSES_MZ_QUERY></td> + <td class="center-align" colspan="7"></td> + </tr> + <TMPL_LOOP NAME=ENTRIES> + <tr class="<TMPL_VAR NAME=ENTRY_COLOR>"> + <td class="center-align" colspan="2"></td> + <td class="center-align"><a href="http://www.bank_inhouse.ca/metabolites/<TMPL_VAR NAME=ENTRY_ENTRY_ID2>" target="_blank" class="btn"><TMPL_VAR NAME=ENTRY_ENTRY_ID></a></td> + <td class="center-align"><TMPL_VAR NAME=ENTRY_FORMULA></td> + <td class="center-align"><TMPL_VAR NAME=ENTRY_CPD_MZ></td> + <td class="center-align"><TMPL_VAR NAME=ENTRY_ADDUCT></td> + <td class="center-align"><TMPL_VAR NAME=ENTRY_ADDUCT_TYPE></td> + <td class="center-align"><TMPL_VAR NAME=ENTRY_ADDUCT_MZ></td> + <td class="center-align"><TMPL_VAR NAME=ENTRY_DELTA></td> + </tr> + </TMPL_LOOP> + </TMPL_LOOP> + </tbody> + </TMPL_LOOP> + </table> + </div> + + <div class="container"> + <hr> + <footer> + <div class="row"> + <div class="col-lg-12"> + <p> + <a href="http://jigsaw.w3.org/css-validator/check/referer" target="_blank"> + <img style="border:0;width:88px;height:31px" + src="http://jigsaw.w3.org/css-validator/images/vcss-blue" + alt="Valid CSS!" /> + </a> + </p> + <p>Copyright © INRA, M Landi 2014 - Jquery Pluggin by <a href="http://flaviusmatis.github.com/" target="_blank">Flavius Matis</a></p> + </div> + </div> + </footer> + </div> + <script language="javascript"> + $(function() { + $('#choose').pagination({ + items: <TMPL_VAR NAME=PAGES_NB>, + itemsOnPage: 1, + currentPage: 1, + onInit: function () { test(1); }, + cssStyle: 'light-theme', + onPageClick: function(pageNumber){test(pageNumber)} + }).pagination('redraw'); + }); + </script> + </body> +</html> \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/conf_bih.cfg Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,19 @@ +## Conf file for bank_inhouse.pl script +# +## Version -- edited by M Landi/F Giacomoni +VERSION=2018.10.01 +# +## ARGVT +INHOUSE_BANK=inhouse.tsv +# +## MZ value +PROTON_MZ=1.0078250321 +ELECTRON_MZ=0.0005486 +# +## Galaxy url for HTML JS and CSS path +JS_GALAXY_PATH=https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/scripts +CSS_GALAXY_PATH=https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/style +# +## HTML OUTPUT : +HTML_ENTRIES_PER_PAGE=4 +HTML_TEMPLATE=bank_inhouse.tmpl
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/inhouse.tsv Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,290095 @@ +ENTRY NAME FORMULA MASS PATHWAYS SOURCE MODE TISSUES +HMDB03813 2-Acyl-sn-glycero-3-phosphocholine Not Available 0 http://www.hmdb.ca/metabolites/HMDB03813 HMDB NA NA +HMDB03813 2-Acyl-sn-glycero-3-phosphocholine Not Available 0 HMDB03813 PFEM_hmdb_metabocards_official NA NA +HMDB06053 Omega-muricholic acid NA 0 NA HMDB2010 NA NA +MetaCyc04471 e- [e;electron;] NA 0.001 NA metacyc NA NA +C00080 H+ H 1.0078 NA KEGG NA NA +HMDB01362 Hydrogen H 1.00782 http://www.hmdb.ca/metabolites/HMDB01362 HMDB NA NA +HMDB01362 Hydrogen H 1.00782 HMDB01362 PFEM_hmdb_metabocards_official NA NA +MetaCyc00001 H+ [hydrogen ion;proton;H;] H1 1.007825 12408-02-5 metacyc NA NA +MetaCyc00002 H2 [hydrogen;hydrogen molecule;] H2 2.01565 1333-74-0 metacyc NA NA +HMDB01362 Hydrogen H2 2.01565 NA HMDB2010 NA NA +C00282 Hydrogen H2 2.0157 NA KEGG NA NA +HMDB05949 Lithium Li 7.016 http://www.hmdb.ca/metabolites/HMDB05949 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05949 Lithium Li 7.016 http://www.hmdb.ca/metabolites/HMDB05949 HMDB NA NA +C15473 Lithium Li 7.016 NA KEGG NA NA +HMDB05949 Lithium Li 7.016 http://www.hmdb.ca/metabolites/HMDB05949 PFEM_hmdb_metabocards_blood NA blood +HMDB05949 Lithium Li 7.016 HMDB05949 PFEM_hmdb_metabocards_official NA NA +HMDB05949 Lithium [Li]+ 7.016 NA HMDB2010 NA NA +MetaCyc00003 Li+ [lithium ion;] LI1 7.016004 NA metacyc NA NA +3988 Human urotensin II ETPDCFWKYCV 9 MH2+ Inhouse_peptide NA peptide +HMDB02387 Beryllium Be 9.01218 http://www.hmdb.ca/metabolites/HMDB02387 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02387 Beryllium Be 9.01218 http://www.hmdb.ca/metabolites/HMDB02387 HMDB NA NA +HMDB02387 Beryllium Be 9.01218 http://www.hmdb.ca/metabolites/HMDB02387 PFEM_hmdb_metabocards_blood NA blood +HMDB02387 Beryllium Be 9.01218 HMDB02387 PFEM_hmdb_metabocards_official NA NA +HMDB02387 Beryllium [Be]2+ 9.01218 NA HMDB2010 NA NA +C16460 Beryllium Be 9.0122 NA KEGG NA NA +HMDB02386 Boron [B]3+ 11.00931 NA HMDB2010 NA NA +MJ000001 Nitrogen N 14.003074 NA MeJP NA NA +HMDB02386 Boron BH3 14.03278 http://www.hmdb.ca/metabolites/HMDB02386 PFEM_hmdb_metabocards_urine NA urine +HMDB02386 Boron BH3 14.03278 http://www.hmdb.ca/metabolites/HMDB02386 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02386 Boron BH3 14.03278 http://www.hmdb.ca/metabolites/HMDB02386 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02386 Boron BH3 14.03278 http://www.hmdb.ca/metabolites/HMDB02386 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02386 Boron BH3 14.03278 http://www.hmdb.ca/metabolites/HMDB02386 HMDB NA NA +HMDB02386 Boron BH3 14.03278 http://www.hmdb.ca/metabolites/HMDB02386 PFEM_hmdb_metabocards_blood NA blood +HMDB02386 Boron BH3 14.03278 HMDB02386 PFEM_hmdb_metabocards_official NA NA +MetaCyc00004 methyl-group [methyl group;CH3;] C1H3 15.023475 NA metacyc NA NA +HMDB01845 Amide H2N 16.01872 http://www.hmdb.ca/metabolites/HMDB01845 HMDB NA NA +HMDB01845 Amide H2N 16.01872 HMDB01845 PFEM_hmdb_metabocards_official NA NA +HMDB02714 Methane CH4 16.0313 http://www.hmdb.ca/metabolites/HMDB02714 HMDB NA NA +C01438 Methane CH4 16.0313 NA KEGG NA NA +MJ000002 Methane CH4 16.0313 NA MeJP NA NA +MetaCyc00005 methane [] C1H4 16.0313 NA metacyc NA NA +HMDB02714 Methane CH4 16.0313 HMDB02714 PFEM_hmdb_metabocards_official NA NA +HMDB02714 Methane CH4 16.0313 NA HMDB2010 NA NA +C01328 HO- OH 17.0027 NA KEGG NA NA +C01329 Nucleoside phosphate C5H10O7PR 17.0027 NA KEGG NA NA +C16844 Hydroxyl radical OH 17.0027 NA KEGG NA NA +HMDB01039 Hydroxide HO 17.00274 http://www.hmdb.ca/metabolites/HMDB01039 HMDB NA NA +MetaCyc00006 OH- [hydroxyl;hydroxyl ion;OH;hydroxide;hydroxide ion;] H1O1 17.00274 14280-30-9 metacyc NA NA +HMDB01039 Hydroxide HO 17.00274 HMDB01039 PFEM_hmdb_metabocards_official NA NA +HMDB01039 Hydroxide [OH]- 17.002741 NA HMDB2010 NA NA +C00014 NH3 NH3 17.0265 NA KEGG NA NA +MJ000003 NH3 H3N 17.026549 NA MeJP NA NA +MetaCyc00007 ammonia [NH3;] H3N1 17.026549 7664-41-7 metacyc NA NA +HMDB00051 Ammonia NH3 17.02655 http://www.hmdb.ca/metabolites/HMDB00051 PFEM_hmdb_metabocards_urine NA urine +HMDB00051 Ammonia NH3 17.02655 http://www.hmdb.ca/metabolites/HMDB00051 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00051 Ammonia NH3 17.02655 http://www.hmdb.ca/metabolites/HMDB00051 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00051 Ammonia NH3 17.02655 http://www.hmdb.ca/metabolites/HMDB00051 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00051 Ammonia NH3 17.02655 http://www.hmdb.ca/metabolites/HMDB00051 HMDB NA NA +HMDB00051 Ammonia NH3 17.02655 http://www.hmdb.ca/metabolites/HMDB00051 PFEM_hmdb_metabocards_blood NA blood +HMDB00051 Ammonia NH3 17.02655 HMDB00051 PFEM_hmdb_metabocards_official NA NA +HMDB00051 Ammonia NH3 17.02655 NA HMDB2010 NA NA +3988 Human urotensin II ETPDCFWKYCV 18 opioid Inhouse_peptide NA peptide +HMDB02111 Water H2O 18.010559 NA HMDB2010 NA NA +HMDB02111 Water H2O 18.01056 http://www.hmdb.ca/metabolites/HMDB02111 HMDB NA NA +HMDB02111 Water H2O 18.01056 HMDB02111 PFEM_hmdb_metabocards_official NA NA +MJ000004 Water H2O 18.010564 NA MeJP NA NA +MJ000005 H2O H2O 18.010564 NA MeJP NA NA +MetaCyc00008 H2O [H20;hydrogen oxide;water;] H2O1 18.010565 7732-18-5 metacyc NA NA +C00001 H2O H2O 18.0106 NA KEGG NA NA +MetaCyc00009 NH4+ [ammonium;] H4N1 18.034374 14798-03-9 metacyc NA NA +C01342 NH4+ NH4 18.0344 NA KEGG NA NA +C01343 Alkylmercury HgR 18.0344 NA KEGG NA NA +HMDB00662 Fluorine F 18.9984 http://www.hmdb.ca/metabolites/HMDB00662 PFEM_hmdb_metabocards_urine NA urine +HMDB00662 Fluorine F 18.9984 http://www.hmdb.ca/metabolites/HMDB00662 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00662 Fluorine F 18.9984 http://www.hmdb.ca/metabolites/HMDB00662 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00662 Fluorine F 18.9984 http://www.hmdb.ca/metabolites/HMDB00662 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00662 Fluorine F 18.9984 http://www.hmdb.ca/metabolites/HMDB00662 HMDB NA NA +C00742 Fluoride F 18.9984 NA KEGG NA NA +HMDB00662 Fluorine F 18.9984 http://www.hmdb.ca/metabolites/HMDB00662 PFEM_hmdb_metabocards_blood NA blood +HMDB00662 Fluorine F 18.9984 HMDB00662 PFEM_hmdb_metabocards_official NA NA +HMDB00662 Fluorine [F]- 18.9984 NA HMDB2010 NA NA +MetaCyc00010 fluoride [fluoride ion;F-;F;] F1 18.998403 NA metacyc NA NA +MetaCyc00011 oxonium [H3O+;] H3O1 19.01839 NA metacyc NA NA +C16487 Hydrofluoric acid HF 20.0062 NA KEGG NA NA +MJ000006 Sodium Na 22.989769 NA MeJP NA NA +HMDB00588 Sodium Na 22.98977 http://www.hmdb.ca/metabolites/HMDB00588 PFEM_hmdb_metabocards_urine NA urine +HMDB00588 Sodium Na 22.98977 http://www.hmdb.ca/metabolites/HMDB00588 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00588 Sodium Na 22.98977 http://www.hmdb.ca/metabolites/HMDB00588 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00588 Sodium Na 22.98977 http://www.hmdb.ca/metabolites/HMDB00588 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00588 Sodium Na 22.98977 http://www.hmdb.ca/metabolites/HMDB00588 HMDB NA NA +MetaCyc00012 Na+ [Sodium;sodium ion;] NA1 22.98977 7440-23-5 metacyc NA NA +HMDB00588 Sodium Na 22.98977 http://www.hmdb.ca/metabolites/HMDB00588 PFEM_hmdb_metabocards_blood NA blood +HMDB00588 Sodium Na 22.98977 HMDB00588 PFEM_hmdb_metabocards_official NA NA +HMDB00588 Sodium [Na]+ 22.989771 NA HMDB2010 NA NA +C01330 Sodium Na 22.9898 NA KEGG NA NA +C01334 RCl ClR 22.9898 NA KEGG NA NA +C01335 ROH HOR 22.9898 NA KEGG NA NA +C01336 Aryl thiol HSR 22.9898 NA KEGG NA NA +C00305 Magnesium Mg 23.985 NA KEGG NA NA +HMDB00547 Magnesium Mg 23.98504 http://www.hmdb.ca/metabolites/HMDB00547 PFEM_hmdb_metabocards_urine NA urine +HMDB00547 Magnesium Mg 23.98504 http://www.hmdb.ca/metabolites/HMDB00547 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00547 Magnesium Mg 23.98504 http://www.hmdb.ca/metabolites/HMDB00547 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00547 Magnesium Mg 23.98504 http://www.hmdb.ca/metabolites/HMDB00547 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00547 Magnesium Mg 23.98504 http://www.hmdb.ca/metabolites/HMDB00547 HMDB NA NA +HMDB00547 Magnesium Mg 23.98504 http://www.hmdb.ca/metabolites/HMDB00547 PFEM_hmdb_metabocards_blood NA blood +HMDB00547 Magnesium Mg 23.98504 HMDB00547 PFEM_hmdb_metabocards_official NA NA +HMDB00547 Magnesium [Mg]2+ 23.985041 NA HMDB2010 NA NA +MetaCyc00013 Mg2+ [magnesium;Mg+2;Mg++;magnesium ion;] MG1 23.985042 NA metacyc NA NA +MJ000007 Lithium hydroxide HLiO 24.018743 NA MeJP NA NA +HMDB02084 Cyanide CN 26.00307 http://www.hmdb.ca/metabolites/HMDB02084 PFEM_hmdb_metabocards_urine NA urine +HMDB02084 Cyanide CN 26.00307 http://www.hmdb.ca/metabolites/HMDB02084 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02084 Cyanide CN 26.00307 http://www.hmdb.ca/metabolites/HMDB02084 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02084 Cyanide CN 26.00307 http://www.hmdb.ca/metabolites/HMDB02084 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02084 Cyanide CN 26.00307 http://www.hmdb.ca/metabolites/HMDB02084 HMDB NA NA +HMDB02084 Cyanide CN 26.00307 http://www.hmdb.ca/metabolites/HMDB02084 PFEM_hmdb_metabocards_blood NA blood +HMDB02084 Cyanide CN 26.00307 HMDB02084 PFEM_hmdb_metabocards_official NA NA +HMDB02084 Cyanide [CN]- 26.003071 NA HMDB2010 NA NA +C00177 Cyanide CN 26.0031 NA KEGG NA NA +MJ000008 Acetylene C2H2 26.01565 NA MeJP NA NA +MetaCyc00014 acetylene [ethyne;ethine;] C2H2 26.01565 NA metacyc NA NA +C01548 Acetylene C2H2 26.0157 NA KEGG NA NA +HMDB01247 Aluminum Al 26.98154 http://www.hmdb.ca/metabolites/HMDB01247 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01247 Aluminum Al 26.98154 http://www.hmdb.ca/metabolites/HMDB01247 HMDB NA NA +HMDB01247 Aluminum Al 26.98154 http://www.hmdb.ca/metabolites/HMDB01247 PFEM_hmdb_metabocards_blood NA blood +HMDB01247 Aluminum Al 26.98154 HMDB01247 PFEM_hmdb_metabocards_official NA NA +HMDB01247 Aluminum [Al]3+ 26.981541 NA HMDB2010 NA NA +MJ000009 Cyanide CHN 27.010899 NA MeJP NA NA +MetaCyc00015 hydrogen cyanide [cyanide;hydrocyanic acid;] C1H1N1 27.010899 57-12-5 metacyc NA NA +MetaCyc00016 imino-group [] C1H1N1 27.010899 NA metacyc NA NA +C01326 Hydrogen cyanide CHN 27.0109 NA KEGG NA NA +HMDB02175 Silicon [Si]4+ 27.976931 NA HMDB2010 NA NA +C00237 CO CO 27.9949 NA KEGG NA NA +HMDB01361 Carbon monoxide CO 27.994909 NA HMDB2010 NA NA +MetaCyc00017 CO [carbon monoxide;carbon monooxide;] C1O1 27.994915 630-08-0 metacyc NA NA +C00697 Nitrogen N2 28.0061 NA KEGG NA NA +MJ000010 Nitrogen N2 28.006148 NA MeJP NA NA +MetaCyc00018 N2 [nitrogen molecule;nitrogen;] N2 28.006148 7727-37-9 metacyc NA NA +HMDB01371 Nitrogen N2 28.006149 NA HMDB2010 NA NA +HMDB01371 Nitrogen N2 28.00615 http://www.hmdb.ca/metabolites/HMDB01371 HMDB NA NA +HMDB01371 Nitrogen N2 28.00615 HMDB01371 PFEM_hmdb_metabocards_official NA NA +MetaCyc00019 amino-group [] C1H2N1 28.018724 NA metacyc NA NA +C06547 Ethylene C2H4 28.0313 NA KEGG NA NA +MJ000011 Ethylene C2H4 28.0313 NA MeJP NA NA +MetaCyc00020 ethene [olefiant gas;elayl;ethylene;] C2H4 28.0313 NA metacyc NA NA +MetaCyc00021 hydroxyl-group [] C1H1O1 29.00274 NA metacyc NA NA +MJ000012 Nitrogen oxide (NO) NO 29.997988 NA MeJP NA NA +MJ000013 Nitric oxide NO 29.997988 NA MeJP NA NA +MetaCyc00022 NH(4)OH [ammonium hydroxide;] N1O1 29.997989 NA metacyc NA NA +HMDB03378 Nitric oxide NO 29.99799 NA HMDB2010 NA NA +C00533 Nitric oxide NO 29.998 NA KEGG NA NA +HMDB01426 Formaldehyde CH2O 30.01056 http://www.hmdb.ca/metabolites/HMDB01426 PFEM_hmdb_metabocards_urine NA urine +HMDB01361 Carbon monoxide CH2O 30.01056 http://www.hmdb.ca/metabolites/HMDB01361 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01426 Formaldehyde CH2O 30.01056 http://www.hmdb.ca/metabolites/HMDB01426 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01426 Formaldehyde CH2O 30.01056 http://www.hmdb.ca/metabolites/HMDB01426 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01426 Formaldehyde CH2O 30.01056 http://www.hmdb.ca/metabolites/HMDB01426 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01361 Carbon monoxide CH2O 30.01056 http://www.hmdb.ca/metabolites/HMDB01361 HMDB NA NA +HMDB01426 Formaldehyde CH2O 30.01056 http://www.hmdb.ca/metabolites/HMDB01426 HMDB NA NA +HMDB01361 Carbon monoxide CH2O 30.01056 http://www.hmdb.ca/metabolites/HMDB01361 PFEM_hmdb_metabocards_blood NA blood +HMDB01426 Formaldehyde CH2O 30.01056 http://www.hmdb.ca/metabolites/HMDB01426 PFEM_hmdb_metabocards_blood NA blood +HMDB01361 Carbon monoxide CH2O 30.01056 HMDB01361 PFEM_hmdb_metabocards_official NA NA +HMDB01426 Formaldehyde CH2O 30.01056 HMDB01426 PFEM_hmdb_metabocards_official NA NA +MJ000014 Formaldehyde CH2O 30.010564 NA MeJP NA NA +HMDB01426 Formaldehyde CH2O 30.010565 NA HMDB2010 NA NA +MetaCyc00023 formaldehyde [formalin;methanal;formol;] C1H2O1 30.010565 50-00-0 metacyc NA NA +C00067 Formaldehyde CH2O 30.0106 NA KEGG NA NA +C05360 Diimine N2H2 30.0218 NA KEGG NA NA +MJ000015 Ethane C2H6 30.04695 NA MeJP NA NA +HMDB01315 Phosphorus P 30.973761 NA HMDB2010 NA NA +HMDB03378 Nitric oxide HNO 31.00581 http://www.hmdb.ca/metabolites/HMDB03378 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03378 Nitric oxide HNO 31.00581 http://www.hmdb.ca/metabolites/HMDB03378 HMDB NA NA +HMDB03378 Nitric oxide HNO 31.00581 http://www.hmdb.ca/metabolites/HMDB03378 PFEM_hmdb_metabocards_blood NA blood +HMDB03378 Nitric oxide HNO 31.00581 HMDB03378 PFEM_hmdb_metabocards_official NA NA +MetaCyc00024 nitric oxide [NO;nitrogen monoxide;nitrogen protoxide;] H1N1O1 31.005814 10102-43-9 metacyc NA NA +HMDB00164 Methylamine CH5N 31.042198 NA HMDB2010 NA NA +MJ000016 Methylamine CH5N 31.042199 NA MeJP NA NA +MetaCyc00025 NH2- [] C1H5N1 31.042199 NA metacyc NA NA +MetaCyc00026 methylamine [methylammonium;monomethylammonium ion;monomethylamine;aminomethane;methylammonium ion;methanamine;] C1H5N1 31.042199 74-89-5 metacyc NA NA +HMDB00164 Methylamine CH5N 31.0422 http://www.hmdb.ca/metabolites/HMDB00164 PFEM_hmdb_metabocards_urine NA urine +HMDB00164 Methylamine CH5N 31.0422 http://www.hmdb.ca/metabolites/HMDB00164 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00164 Methylamine CH5N 31.0422 http://www.hmdb.ca/metabolites/HMDB00164 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00164 Methylamine CH5N 31.0422 http://www.hmdb.ca/metabolites/HMDB00164 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00164 Methylamine CH5N 31.0422 http://www.hmdb.ca/metabolites/HMDB00164 HMDB NA NA +C00218 Methylamine CH5N 31.0422 NA KEGG NA NA +HMDB00164 Methylamine CH5N 31.0422 http://www.hmdb.ca/metabolites/HMDB00164 PFEM_hmdb_metabocards_blood NA blood +HMDB00164 Methylamine CH5N 31.0422 HMDB00164 PFEM_hmdb_metabocards_official NA NA +HMDB00598 Sulfide [S]2- 31.972071 NA HMDB2010 NA NA +MetaCyc00027 S2- [] S1 31.972071 NA metacyc NA NA +C00087 Sulfur S 31.9721 NA KEGG NA NA +C00007 Oxygen O2 31.9898 NA KEGG NA NA +C00704 O2.- O2 31.9898 NA KEGG NA NA +MJ000017 Oxygen O2 31.989829 NA MeJP NA NA +MetaCyc00028 O2 [oxygen;oxygen molecule;] O2 31.989829 7782-44-7 metacyc NA NA +MetaCyc00029 O2- [Superoxide anion;peroxide radical;O2(.-);superoxide;] O2 31.989829 NA metacyc NA NA +HMDB01377 Oxygen O2 31.98983 http://www.hmdb.ca/metabolites/HMDB01377 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01377 Oxygen O2 31.98983 http://www.hmdb.ca/metabolites/HMDB01377 HMDB NA NA +HMDB02168 Superoxide O2 31.98983 http://www.hmdb.ca/metabolites/HMDB02168 HMDB NA NA +HMDB01377 Oxygen O2 31.98983 http://www.hmdb.ca/metabolites/HMDB01377 PFEM_hmdb_metabocards_blood NA blood +HMDB01377 Oxygen O2 31.98983 HMDB01377 PFEM_hmdb_metabocards_official NA NA +HMDB02168 Superoxide O2 31.98983 HMDB02168 PFEM_hmdb_metabocards_official NA NA +HMDB01377 Oxygen O2 31.98983 NA HMDB2010 NA NA +HMDB02168 Superoxide O2 31.98983 NA HMDB2010 NA NA +HMDB02175 Silicon H4Si 32.00823 http://www.hmdb.ca/metabolites/HMDB02175 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02175 Silicon H4Si 32.00823 http://www.hmdb.ca/metabolites/HMDB02175 HMDB NA NA +HMDB02175 Silicon H4Si 32.00823 http://www.hmdb.ca/metabolites/HMDB02175 PFEM_hmdb_metabocards_blood NA blood +HMDB02175 Silicon H4Si 32.00823 HMDB02175 PFEM_hmdb_metabocards_official NA NA +C00132 Methanol CH4O 32.0262 NA KEGG NA NA +HMDB01875 Methanol CH4O 32.02621 http://www.hmdb.ca/metabolites/HMDB01875 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01875 Methanol CH4O 32.02621 http://www.hmdb.ca/metabolites/HMDB01875 HMDB NA NA +HMDB01875 Methanol CH4O 32.02621 http://www.hmdb.ca/metabolites/HMDB01875 PFEM_hmdb_metabocards_blood NA blood +HMDB01875 Methanol CH4O 32.02621 HMDB01875 PFEM_hmdb_metabocards_official NA NA +MJ000018 Methanol CH4O 32.026214 NA MeJP NA NA +HMDB01875 Methanol CH4O 32.026215 NA HMDB2010 NA NA +MetaCyc00030 methanol [MetOH;carbinol;MeOH;methyl alcohol;wood alcohol;] C1H4O1 32.026215 67-56-1 metacyc NA NA +C05361 Hydrazine N2H4 32.0374 NA KEGG NA NA +MetaCyc00031 hydrazine [] H4N2 32.037448 NA metacyc NA NA +MetaCyc00032 HS- [hydrogen sulfide ion;] H1S1 32.979896 NA metacyc NA NA +HMDB03338 Hydroxylamine H3NO 33.02146 http://www.hmdb.ca/metabolites/HMDB03338 HMDB NA NA +HMDB03338 Hydroxylamine H3NO 33.02146 HMDB03338 PFEM_hmdb_metabocards_official NA NA +MJ000019 Hydroxylamine H3NO 33.021463 NA MeJP NA NA +MetaCyc00033 hydroxylamine [NH2OH;] H3N1O1 33.021464 7803-49-8 metacyc NA NA +HMDB03338 Hydroxylamine H3NO 33.021465 NA HMDB2010 NA NA +C00192 Hydroxylamine NH3O 33.0215 NA KEGG NA NA +C00283 Hydrogen sulfide H2S 33.9877 NA KEGG NA NA +HMDB00598 Sulfide H2S 33.98772 http://www.hmdb.ca/metabolites/HMDB00598 PFEM_hmdb_metabocards_urine NA urine +HMDB00598 Sulfide H2S 33.98772 http://www.hmdb.ca/metabolites/HMDB00598 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03276 Hydrogen sulfide H2S 33.98772 http://www.hmdb.ca/metabolites/HMDB03276 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00598 Sulfide H2S 33.98772 http://www.hmdb.ca/metabolites/HMDB00598 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00598 Sulfide H2S 33.98772 http://www.hmdb.ca/metabolites/HMDB00598 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00598 Sulfide H2S 33.98772 http://www.hmdb.ca/metabolites/HMDB00598 HMDB NA NA +HMDB03276 Hydrogen sulfide H2S 33.98772 http://www.hmdb.ca/metabolites/HMDB03276 HMDB NA NA +MJ000020 Hydrogen sulfide H2S 33.98772 NA MeJP NA NA +MJ000021 Sulfur H2S 33.98772 NA MeJP NA NA +HMDB00598 Sulfide H2S 33.98772 http://www.hmdb.ca/metabolites/HMDB00598 PFEM_hmdb_metabocards_blood NA blood +HMDB03276 Hydrogen sulfide H2S 33.98772 http://www.hmdb.ca/metabolites/HMDB03276 PFEM_hmdb_metabocards_blood NA blood +HMDB00598 Sulfide H2S 33.98772 HMDB00598 PFEM_hmdb_metabocards_official NA NA +HMDB03276 Hydrogen sulfide H2S 33.98772 HMDB03276 PFEM_hmdb_metabocards_official NA NA +HMDB03276 Hydrogen sulfide H2S 33.98772 NA HMDB2010 NA NA +MetaCyc00034 hydrogen sulfide [sulfide;H2S;] H2S1 33.987721 06/04/7783 metacyc NA NA +HMDB01315 Phosphorus H3P 33.99724 http://www.hmdb.ca/metabolites/HMDB01315 PFEM_hmdb_metabocards_urine NA urine +HMDB01315 Phosphorus H3P 33.99724 http://www.hmdb.ca/metabolites/HMDB01315 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01315 Phosphorus H3P 33.99724 http://www.hmdb.ca/metabolites/HMDB01315 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01315 Phosphorus H3P 33.99724 http://www.hmdb.ca/metabolites/HMDB01315 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01315 Phosphorus H3P 33.99724 http://www.hmdb.ca/metabolites/HMDB01315 HMDB NA NA +HMDB01315 Phosphorus H3P 33.99724 http://www.hmdb.ca/metabolites/HMDB01315 PFEM_hmdb_metabocards_blood NA blood +HMDB01315 Phosphorus H3P 33.99724 HMDB01315 PFEM_hmdb_metabocards_official NA NA +HMDB03125 Hydrogen peroxide H2O2 34.005478 NA HMDB2010 NA NA +MJ000022 Hydrogen peroxide (H2O2) H2O2 34.005479 NA MeJP NA NA +MetaCyc00035 H2O2 [hydroperoxide;perhydrol;hydrogen peroxide;] H2O2 34.005479 7722-84-1 metacyc NA NA +HMDB03125 Hydrogen peroxide H2O2 34.00548 http://www.hmdb.ca/metabolites/HMDB03125 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03125 Hydrogen peroxide H2O2 34.00548 http://www.hmdb.ca/metabolites/HMDB03125 HMDB NA NA +HMDB03125 Hydrogen peroxide H2O2 34.00548 http://www.hmdb.ca/metabolites/HMDB03125 PFEM_hmdb_metabocards_blood NA blood +HMDB03125 Hydrogen peroxide H2O2 34.00548 HMDB03125 PFEM_hmdb_metabocards_official NA NA +C00027 H2O2 H2O2 34.0055 NA KEGG NA NA +C00028 Acceptor H2O2 34.0055 NA KEGG NA NA +C11147 Fluoromethane CH3F 34.0219 NA KEGG NA NA +HMDB00492 Chlorine [Cl]- 34.968849 NA HMDB2010 NA NA +HMDB00492 Chloride Cl 34.96885 http://www.hmdb.ca/metabolites/HMDB00492 PFEM_hmdb_metabocards_urine NA urine +HMDB00492 Chloride Cl 34.96885 http://www.hmdb.ca/metabolites/HMDB00492 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00492 Chloride Cl 34.96885 http://www.hmdb.ca/metabolites/HMDB00492 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00492 Chloride Cl 34.96885 http://www.hmdb.ca/metabolites/HMDB00492 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00492 Chloride Cl 34.96885 http://www.hmdb.ca/metabolites/HMDB00492 HMDB NA NA +HMDB00492 Chloride Cl 34.96885 http://www.hmdb.ca/metabolites/HMDB00492 PFEM_hmdb_metabocards_blood NA blood +HMDB00492 Chloride Cl 34.96885 HMDB00492 PFEM_hmdb_metabocards_official NA NA +MetaCyc00036 chloride [chloride ion;Cl-;] CL1 34.968853 NA metacyc NA NA +C00698 Cl- Cl 34.9689 NA KEGG NA NA +C01358 NH4OH NH4 35.0371 NA KEGG NA NA +MJ000023 Hydrogen chloride ClH 35.976677 NA MeJP NA NA +MetaCyc00037 HCl [hydrogen chloride;hydrochloric acid;] H1CL1 35.976678 NA metacyc NA NA +HMDB02306 Hydrochloric acid ClH 35.97668 http://www.hmdb.ca/metabolites/HMDB02306 HMDB NA NA +HMDB02306 Hydrochloric acid ClH 35.97668 HMDB02306 PFEM_hmdb_metabocards_official NA NA +HMDB02306 Hydrochloric acid ClH 35.976681 NA HMDB2010 NA NA +C01327 Hydrochloric acid HCl 35.9767 NA KEGG NA NA +HMDB00123 Glycine C2H5NO2 37.516014 MH2+ Inhouse_peptide NA peptide +C00238 Potassium K 38.9637 NA KEGG NA NA +MJ000024 Potassium K 38.963706 NA MeJP NA NA +MetaCyc00038 K+ [potassium;potassium ion;] K1 38.963707 NA metacyc NA NA +HMDB00586 Potassium K 38.96371 http://www.hmdb.ca/metabolites/HMDB00586 PFEM_hmdb_metabocards_urine NA urine +HMDB00586 Potassium K 38.96371 http://www.hmdb.ca/metabolites/HMDB00586 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00586 Potassium K 38.96371 http://www.hmdb.ca/metabolites/HMDB00586 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00586 Potassium K 38.96371 http://www.hmdb.ca/metabolites/HMDB00586 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00586 Potassium K 38.96371 http://www.hmdb.ca/metabolites/HMDB00586 HMDB NA NA +HMDB00586 Potassium K 38.96371 http://www.hmdb.ca/metabolites/HMDB00586 PFEM_hmdb_metabocards_blood NA blood +HMDB00586 Potassium K 38.96371 HMDB00586 PFEM_hmdb_metabocards_official NA NA +HMDB00586 Potassium [K]+ 38.963711 NA HMDB2010 NA NA +HMDB00464 Calcium [Ca]2+ 39.962589 NA HMDB2010 NA NA +HMDB00464 Calcium Ca 39.96259 http://www.hmdb.ca/metabolites/HMDB00464 PFEM_hmdb_metabocards_urine NA urine +HMDB00464 Calcium Ca 39.96259 http://www.hmdb.ca/metabolites/HMDB00464 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00464 Calcium Ca 39.96259 http://www.hmdb.ca/metabolites/HMDB00464 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00464 Calcium Ca 39.96259 http://www.hmdb.ca/metabolites/HMDB00464 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00464 Calcium Ca 39.96259 http://www.hmdb.ca/metabolites/HMDB00464 HMDB NA NA +HMDB00464 Calcium Ca 39.96259 http://www.hmdb.ca/metabolites/HMDB00464 PFEM_hmdb_metabocards_blood NA blood +HMDB00464 Calcium Ca 39.96259 HMDB00464 PFEM_hmdb_metabocards_official NA NA +MetaCyc00039 Ca2+ [Ca2+;Ca+2;Ca++;calcium ion;] CA1 39.962591 NA metacyc NA NA +C00076 Calcium Ca 39.9626 NA KEGG NA NA +C12567 Magnesium oxide MgO 39.98 NA KEGG NA NA +C12569 Sodium hydroxide Na 39.9925 NA KEGG NA NA +C12570 Transferred to D01170 Na 39.9925 NA KEGG NA NA +C12571 Transferred to D01171 Na 39.9925 NA KEGG NA NA +C12572 Transferred to D01172 Na 39.9925 NA KEGG NA NA +C12573 Transferred to D01173 Na 39.9925 NA KEGG NA NA +MJ000025 Calcium CaH2 41.978241 NA MeJP NA NA +MJ000026 Lithium chloride (LiCl) ClLi 41.984856 NA MeJP NA NA +MJ000027 Sodium fluoride (NaF) FNa 41.988172 NA MeJP NA NA +C08142 Sodium fluoride Na 41.9882 NA KEGG NA NA +C08143 Transferred to D00944 Na 41.9882 NA KEGG NA NA +C08144 Transferred to D00945 Na 41.9882 NA KEGG NA NA +HMDB02078 Cyanate [OCN]- 41.99799 NA HMDB2010 NA NA +MJ000028 Cyanamide CH2N2 42.021798 NA MeJP NA NA +MetaCyc00040 cyanamide [Carbodiimide;] C1H2N2 42.021798 420-04-2 metacyc NA NA +C01566 Cyanamide CH2N2 42.0218 NA KEGG NA NA +MJ000029 Cyclopropane C3H6 42.04695 NA MeJP NA NA +MetaCyc00041 Propene [] C3H6 42.04695 NA metacyc NA NA +C11505 Propene C3H6 42.047 NA KEGG NA NA +C01417 Cyanate CHNO 43.0058 NA KEGG NA NA +HMDB02078 Cyanate CHNO 43.00581 http://www.hmdb.ca/metabolites/HMDB02078 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02078 Cyanate CHNO 43.00581 http://www.hmdb.ca/metabolites/HMDB02078 HMDB NA NA +HMDB02078 Cyanate CHNO 43.00581 http://www.hmdb.ca/metabolites/HMDB02078 PFEM_hmdb_metabocards_blood NA blood +HMDB02078 Cyanate CHNO 43.00581 HMDB02078 PFEM_hmdb_metabocards_official NA NA +MJ000030 Cyanate CHNO 43.005813 NA MeJP NA NA +MetaCyc00042 NCOH [] C1H1N1O1 43.005814 NA metacyc NA NA +MetaCyc00043 cyanate [cyanic acid;hydrogen cyanate;] C1H1N1O1 43.005814 420-05-3 metacyc NA NA +MetaCyc00044 aziridine [ethylenimine;aziridine;ethylene-imine;azacyclopropane;dimethylenimine;azirane;aminoethylene;] C2H5N1 43.042199 151-56-4 metacyc NA NA +C11687 Aziridine C2H5N 43.0422 NA KEGG NA NA +C00011 CO2 CO2 43.9898 NA KEGG NA NA +C00012 Peptide C2H4NO2R 43.9898 NA KEGG NA NA +MJ000031 CO2 CO2 43.989829 NA MeJP NA NA +MJ000032 Carbon dioxide CO2 43.989829 NA MeJP NA NA +MetaCyc00045 CO2 [carbonic anhydride;carbonic acid gas;carbon dioxide;] C1O2 43.989829 124-38-9 metacyc NA NA +HMDB01967 Carbon Dioxide CO2 43.98983 http://www.hmdb.ca/metabolites/HMDB01967 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01967 Carbon Dioxide CO2 43.98983 http://www.hmdb.ca/metabolites/HMDB01967 HMDB NA NA +HMDB01967 Carbon Dioxide CO2 43.98983 http://www.hmdb.ca/metabolites/HMDB01967 PFEM_hmdb_metabocards_blood NA blood +HMDB01967 Carbon Dioxide CO2 43.98983 HMDB01967 PFEM_hmdb_metabocards_official NA NA +HMDB01967 Carbon dioxide CO2 43.98983 NA HMDB2010 NA NA +MJ000033 Nitrous oxide N2O 44.001062 NA MeJP NA NA +MJ000034 Nitrogen oxide (N2O) N2O 44.001062 NA MeJP NA NA +MetaCyc00046 nitrous oxide [N2O;] N2O1 44.001063 10024-97-2 metacyc NA NA +C00887 Nitrous oxide N2O 44.0011 NA KEGG NA NA +HMDB06782 N-Formylderivatives CH2NO 44.01364 http://www.hmdb.ca/metabolites/HMDB06782 HMDB NA NA +HMDB06782 N-Formylderivatives CH2NO 44.01364 HMDB06782 PFEM_hmdb_metabocards_official NA NA +C00084 Acetaldehyde C2H4O 44.0262 NA KEGG NA NA +C06548 Ethylene oxide C2H4O 44.0262 NA KEGG NA NA +HMDB00990 Acetaldehyde C2H4O 44.02621 http://www.hmdb.ca/metabolites/HMDB00990 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00990 Acetaldehyde C2H4O 44.02621 http://www.hmdb.ca/metabolites/HMDB00990 HMDB NA NA +HMDB00990 Acetaldehyde C2H4O 44.02621 http://www.hmdb.ca/metabolites/HMDB00990 PFEM_hmdb_metabocards_blood NA blood +HMDB00990 Acetaldehyde C2H4O 44.02621 HMDB00990 PFEM_hmdb_metabocards_official NA NA +MJ000035 Acetaldehyde C2H4O 44.026214 NA MeJP NA NA +MJ000036 Ethylene oxide C2H4O 44.026214 NA MeJP NA NA +MJ000037 Menfegol C2H4O 44.026214 NA MeJP NA NA +HMDB00990 Acetaldehyde C2H4O 44.026215 NA HMDB2010 NA NA +MetaCyc00047 polyvinyl alcohol [hydroxyethylene;ethenol;alcotex 17F-H;] C2H4O1 44.026215 9002-89-5 metacyc NA NA +MetaCyc00048 acetaldehyde [acetic aldehyde;ethanal;aldehyde;ethyl aldehyde;] C2H4O1 44.026215 75-07-0 metacyc NA NA +MJ000038 Propane C3H8 44.0626 NA MeJP NA NA +HMDB00056 Beta-Alanine C3H7NO2 44.523838 MH2+ Inhouse_peptide NA peptide +HMDB00161 L-Alanine C3H7NO2 44.523838 MH2+ Inhouse_peptide NA peptide +HMDB00271 Sarcosine C3H7NO2 44.523838 MH2+ Inhouse_peptide NA peptide +MetaCyc00049 thiol-group [] C1H1S1 44.979896 NA metacyc NA NA +MetaCyc00050 carboxyl-group [] C1H1O2 44.997654 NA metacyc NA NA +HMDB01536 Formamide CH3NO 45.02146 http://www.hmdb.ca/metabolites/HMDB01536 HMDB NA NA +HMDB01536 Formamide CH3NO 45.02146 HMDB01536 PFEM_hmdb_metabocards_official NA NA +MJ000039 Formamide CH3NO 45.021463 NA MeJP NA NA +MetaCyc00051 formamide [carbamaldehyde;Methanamide;] C1H3N1O1 45.021464 75-12-7 metacyc NA NA +HMDB01536 Formamide CH3NO 45.021465 NA HMDB2010 NA NA +C00488 Formamide CH3NO 45.0215 NA KEGG NA NA +C00543 Dimethylamine C2H7N 45.0578 NA KEGG NA NA +C00797 Ethylamine C2H7N 45.0578 NA KEGG NA NA +MJ000040 Dimethylamine C2H7N 45.057849 NA MeJP NA NA +MJ000041 Ethylamine C2H7N 45.057849 NA MeJP NA NA +MetaCyc00052 ethylamine [ethanamine;aminoethane;] C2H7N1 45.057849 75-04-7 metacyc NA NA +MetaCyc00053 dimethylamine [{CH3}2NH2;] C2H7N1 45.057849 124-40-3 metacyc NA NA +HMDB00087 Dimethylamine C2H7N 45.05785 http://www.hmdb.ca/metabolites/HMDB00087 PFEM_hmdb_metabocards_urine NA urine +HMDB00087 Dimethylamine C2H7N 45.05785 http://www.hmdb.ca/metabolites/HMDB00087 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00087 Dimethylamine C2H7N 45.05785 http://www.hmdb.ca/metabolites/HMDB00087 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00087 Dimethylamine C2H7N 45.05785 http://www.hmdb.ca/metabolites/HMDB00087 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00087 Dimethylamine C2H7N 45.05785 http://www.hmdb.ca/metabolites/HMDB00087 HMDB NA NA +HMDB00087 Dimethylamine C2H7N 45.05785 http://www.hmdb.ca/metabolites/HMDB00087 PFEM_hmdb_metabocards_blood NA blood +HMDB00087 Dimethylamine C2H7N 45.05785 HMDB00087 PFEM_hmdb_metabocards_official NA NA +HMDB00087 Dimethylamine C2H7N 45.05785 NA HMDB2010 NA NA +HMDB13231 Ethylamine C2H7N 45.05785 NA HMDB2010 NA NA +HMDB02786 Nitrite [NO2]- 45.992901 NA HMDB2010 NA NA +MetaCyc00054 nitrogen dioxide [nitrogen oxide;NO2;] N1O2 45.992903 10102-44-0 metacyc NA NA +MetaCyc00055 nitrite [NO2;NO2-;] N1O2 45.992903 14797-65-0 metacyc NA NA +HMDB00142 Formic acid CH2O2 46.005478 NA HMDB2010 NA NA +MJ000042 Formic acid CH2O2 46.005479 NA MeJP NA NA +MJ000043 Formate CH2O2 46.005479 NA MeJP NA NA +MetaCyc00056 formate [formic acid;] C1H2O2 46.005479 64-18-6 metacyc NA NA +HMDB00142 Formic acid CH2O2 46.00548 http://www.hmdb.ca/metabolites/HMDB00142 PFEM_hmdb_metabocards_urine NA urine +HMDB00142 Formic acid CH2O2 46.00548 http://www.hmdb.ca/metabolites/HMDB00142 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00142 Formic acid CH2O2 46.00548 http://www.hmdb.ca/metabolites/HMDB00142 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00142 Formic acid CH2O2 46.00548 http://www.hmdb.ca/metabolites/HMDB00142 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00142 Formic acid CH2O2 46.00548 http://www.hmdb.ca/metabolites/HMDB00142 HMDB NA NA +HMDB00142 Formic acid CH2O2 46.00548 http://www.hmdb.ca/metabolites/HMDB00142 PFEM_hmdb_metabocards_blood NA blood +HMDB00142 Formic acid CH2O2 46.00548 HMDB00142 PFEM_hmdb_metabocards_official NA NA +C00058 Formate CH2O2 46.0055 NA KEGG NA NA +HMDB00108 Ethanol C2H6O 46.04186 http://www.hmdb.ca/metabolites/HMDB00108 PFEM_hmdb_metabocards_urine NA urine +HMDB00108 Ethanol C2H6O 46.04186 http://www.hmdb.ca/metabolites/HMDB00108 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00108 Ethanol C2H6O 46.04186 http://www.hmdb.ca/metabolites/HMDB00108 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00108 Ethanol C2H6O 46.04186 http://www.hmdb.ca/metabolites/HMDB00108 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00108 Ethanol C2H6O 46.04186 http://www.hmdb.ca/metabolites/HMDB00108 HMDB NA NA +HMDB00108 Ethanol C2H6O 46.04186 http://www.hmdb.ca/metabolites/HMDB00108 PFEM_hmdb_metabocards_blood NA blood +HMDB00108 Ethanol C2H6O 46.04186 HMDB00108 PFEM_hmdb_metabocards_official NA NA +MJ000044 Ethanol C2H6O 46.041864 NA MeJP NA NA +MJ000045 Dimethyl ether C2H6O 46.041864 NA MeJP NA NA +MJ000046 Ethanol C2H6O 46.041864 NA MeJP NA NA +MetaCyc00057 ethanol [absolute alcohol;alcohol;EtOH;eth;ethyl alcohol;grain alcohol;] C2H6O1 46.041865 64-17-5 metacyc NA NA +HMDB00108 Ethanol C2H6O 46.041866 NA HMDB2010 NA NA +C00469 Ethanol C2H6O 46.0419 NA KEGG NA NA +C00470 Pectate C12H18O13 46.0419 NA KEGG NA NA +C00471 Plasmin C12H18O13 46.0419 NA KEGG NA NA +C11144 Dimethyl ether C2H6O 46.0419 NA KEGG NA NA +C00088 Nitrite HNO2 47.0007 NA KEGG NA NA +MJ000047 Nitrite HNO2 47.000728 NA MeJP NA NA +HMDB02786 Nitrite HNO2 47.00073 http://www.hmdb.ca/metabolites/HMDB02786 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02786 Nitrite HNO2 47.00073 http://www.hmdb.ca/metabolites/HMDB02786 HMDB NA NA +HMDB02786 Nitrite HNO2 47.00073 http://www.hmdb.ca/metabolites/HMDB02786 PFEM_hmdb_metabocards_blood NA blood +HMDB02786 Nitrite HNO2 47.00073 HMDB02786 PFEM_hmdb_metabocards_official NA NA +HMDB01966 Titanium [Ti]4+ 47.947948 NA HMDB2010 NA NA +HMDB01966 Titanium Ti 47.94795 http://www.hmdb.ca/metabolites/HMDB01966 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01966 Titanium Ti 47.94795 http://www.hmdb.ca/metabolites/HMDB01966 HMDB NA NA +HMDB01966 Titanium Ti 47.94795 http://www.hmdb.ca/metabolites/HMDB01966 PFEM_hmdb_metabocards_blood NA blood +HMDB01966 Titanium Ti 47.94795 HMDB01966 PFEM_hmdb_metabocards_official NA NA +HMDB03227 Methanethiol CH4S 48.003368 NA HMDB2010 NA NA +HMDB03227 Methanethiol CH4S 48.00337 http://www.hmdb.ca/metabolites/HMDB03227 HMDB NA NA +HMDB03227 Methanethiol CH4S 48.00337 HMDB03227 PFEM_hmdb_metabocards_official NA NA +MetaCyc00058 methanethiol [methyl-mercaptan;] C1H4S1 48.003371 NA metacyc NA NA +MetaCyc00059 methanethiol [methylmercaptan;mercaptomethane;thiomethane;methyl sulfhydrate;thiomethyl alcohol;] C1H4S1 48.003371 NA metacyc NA NA +C00409 Methanethiol CH4S 48.0034 NA KEGG NA NA +MJ000048 Chloromethane CH3Cl 49.992327 NA MeJP NA NA +MetaCyc00060 methyl chloride [CH3Cl;chloromethane;monochloromethane;] C1H3CL1 49.992328 74-87-3 metacyc NA NA +HMDB02503 Vanadium [V]3+ 50.943958 NA HMDB2010 NA NA +HMDB02503 Vanadium V 50.94396 http://www.hmdb.ca/metabolites/HMDB02503 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02503 Vanadium V 50.94396 http://www.hmdb.ca/metabolites/HMDB02503 HMDB NA NA +HMDB02503 Vanadium V 50.94396 http://www.hmdb.ca/metabolites/HMDB02503 PFEM_hmdb_metabocards_blood NA blood +HMDB02503 Vanadium V 50.94396 HMDB02503 PFEM_hmdb_metabocards_official NA NA +HMDB01050 Hypochlorite ClO 50.96377 http://www.hmdb.ca/metabolites/HMDB01050 HMDB NA NA +HMDB01050 Hypochlorite ClO 50.96377 HMDB01050 PFEM_hmdb_metabocards_official NA NA +HMDB01050 Hypochlorite [ClO]- 50.963772 NA HMDB2010 NA NA +HMDB00092 Dimethylglycine C4H9NO2 51.531666 MH2+ Inhouse_peptide NA peptide +HMDB00112 Gamma-Aminobutyric acid C4H9NO2 51.531666 MH2+ Inhouse_peptide NA peptide +HMDB00452 L-Alpha-aminobutyric acid C4H9NO2 51.531666 MH2+ Inhouse_peptide NA peptide +HMDB01906 2-Aminoisobutyric acid C4H9NO2 51.531666 MH2+ Inhouse_peptide NA peptide +HMDB02166 (S)-b-aminoisobutyric acid C4H9NO2 51.531666 MH2+ Inhouse_peptide NA peptide +HMDB03911 3-Aminoisobutanoic acid C4H9NO2 51.531666 MH2+ Inhouse_peptide NA peptide +HMDB00599 Chromium Cr 51.94051 http://www.hmdb.ca/metabolites/HMDB00599 PFEM_hmdb_metabocards_urine NA urine +HMDB00599 Chromium Cr 51.94051 http://www.hmdb.ca/metabolites/HMDB00599 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00599 Chromium Cr 51.94051 http://www.hmdb.ca/metabolites/HMDB00599 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00599 Chromium Cr 51.94051 http://www.hmdb.ca/metabolites/HMDB00599 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00599 Chromium Cr 51.94051 http://www.hmdb.ca/metabolites/HMDB00599 HMDB NA NA +HMDB00599 Chromium Cr 51.94051 http://www.hmdb.ca/metabolites/HMDB00599 PFEM_hmdb_metabocards_blood NA blood +HMDB00599 Chromium Cr 51.94051 HMDB00599 PFEM_hmdb_metabocards_official NA NA +HMDB00599 Chromium [Cr]3+ 51.94051 NA HMDB2010 NA NA +MetaCyc00061 Cr6+ [Cr6+;Cr(VI);] CR1 51.940512 NA metacyc NA NA +MetaCyc00062 Cr3+ [Cr3+;Cr(III);] CR1 51.940512 NA metacyc NA NA +HMDB00097 Choline C5H14NO 52.053768 MH2+ Inhouse_peptide NA peptide +HMDB00187 L-Serine C3H7NO3 52.5212975 MH2+ Inhouse_peptide NA peptide +HMDB03406 D-Serine C3H7NO3 52.5212975 MH2+ Inhouse_peptide NA peptide +MJ000049 Ammonium chloride ((NH4)Cl) ClH4N 53.003226 NA MeJP NA NA +MetaCyc00063 NH4Cl [] H4N1CL1 53.003227 NA metacyc NA NA +C01998 Acrylonitrile C3H3N 53.0265 NA KEGG NA NA +C02000 Alkyl sulfate HSO4R 53.0265 NA KEGG NA NA +MJ000050 Acrylonitrile C3H3N 53.026549 NA MeJP NA NA +MetaCyc00064 acrylonitrile [] C3H3N1 53.026549 107-13-1 metacyc NA NA +MJ000051 2-Propyn-1-al C3H2O 54.010564 NA MeJP NA NA +HMDB06803 2-Propyn-1-al C3H2O 54.010567 NA HMDB2010 NA NA +C05985 2-Propyn-1-al C3H2O 54.0106 NA KEGG NA NA +MetaCyc00065 butadiene [1,3-butadiene;divinyl;] C4H6 54.04695 106-99-0 metacyc NA NA +C16450 1,3-Butadiene C4H6 54.047 NA KEGG NA NA +C16451 Coal-tar pitches C4H6 54.047 NA KEGG NA NA +HMDB01333 Manganese [Mn]2+ 54.938049 NA HMDB2010 NA NA +MJ000052 Manganese Mn 54.938049 NA MeJP NA NA +HMDB01333 Manganese Mn 54.93805 http://www.hmdb.ca/metabolites/HMDB01333 PFEM_hmdb_metabocards_urine NA urine +HMDB01333 Manganese Mn 54.93805 http://www.hmdb.ca/metabolites/HMDB01333 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01333 Manganese Mn 54.93805 http://www.hmdb.ca/metabolites/HMDB01333 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01333 Manganese Mn 54.93805 http://www.hmdb.ca/metabolites/HMDB01333 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01333 Manganese Mn 54.93805 http://www.hmdb.ca/metabolites/HMDB01333 HMDB NA NA +MetaCyc00066 Mn+3 [manganese (III) ion;Mn(III);] MN1 54.93805 7439-96-5 metacyc NA NA +MetaCyc00067 Mn2+ [manganese ion;Mn(II);Mn+2;Mn++;manganese (II) ion;] MN1 54.93805 7439-96-5 metacyc NA NA +HMDB01333 Manganese Mn 54.93805 http://www.hmdb.ca/metabolites/HMDB01333 PFEM_hmdb_metabocards_blood NA blood +HMDB01333 Manganese Mn 54.93805 HMDB01333 PFEM_hmdb_metabocards_official NA NA +C00034 Manganese Mn 54.9381 NA KEGG NA NA +HMDB00870 Histamine C5H9N3 55.5398215 MH2+ Inhouse_peptide NA peptide +C00023 Iron Fe 55.9349 NA KEGG NA NA +C14818 Fe2+ Fe 55.9349 NA KEGG NA NA +C14819 Fe3+ Fe 55.9349 NA KEGG NA NA +HMDB00692 Iron Fe 55.93494 http://www.hmdb.ca/metabolites/HMDB00692 PFEM_hmdb_metabocards_urine NA urine +HMDB00692 Iron Fe 55.93494 http://www.hmdb.ca/metabolites/HMDB00692 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00692 Iron Fe 55.93494 http://www.hmdb.ca/metabolites/HMDB00692 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00692 Iron Fe 55.93494 http://www.hmdb.ca/metabolites/HMDB00692 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00692 Iron Fe 55.93494 http://www.hmdb.ca/metabolites/HMDB00692 HMDB NA NA +HMDB00692 Iron Fe 55.93494 http://www.hmdb.ca/metabolites/HMDB00692 PFEM_hmdb_metabocards_blood NA blood +HMDB00692 Iron Fe 55.93494 HMDB00692 PFEM_hmdb_metabocards_official NA NA +HMDB00692 Iron [Fe]2+ 55.93494 NA HMDB2010 NA NA +MJ000053 Iron Fe 55.934942 NA MeJP NA NA +MetaCyc00068 Fe3+ [ferric iron;Fe3+;Fe+++;Fe+3;] FE1 55.934942 NA metacyc NA NA +MetaCyc00069 Fe2+ [Fe+2;Fe++;ferrous iron;Fe+2;Fe2+;] FE1 55.934942 NA metacyc NA NA +C13140 Calcium oxide CaO 55.9575 NA KEGG NA NA +C12568 Potassium hydroxide KOH 55.9664 NA KEGG NA NA +MJ000054 Magnesium peroxide (MgO2) MgO2 55.974871 NA MeJP NA NA +C17732 Magnesium peroxide MgO2 55.9749 NA KEGG NA NA +C01471 Acrolein C3H4O 56.0262 NA KEGG NA NA +C05986 2-Propyn-1-ol C3H4O 56.0262 NA KEGG NA NA +MJ000055 2-Propenal C3H4O 56.026214 NA MeJP NA NA +MJ000056 2-Propyn-1-ol C3H4O 56.026214 NA MeJP NA NA +MetaCyc00070 acrolein [] C3H4O1 56.026215 107-02-8 metacyc NA NA +C14150 Cyclopropylamine C3H7N 57.0578 NA KEGG NA NA +MetaCyc00071 cyclopropylamine [cyclopropanamine;aminocyclopropane;] C3H7N1 57.057849 NA metacyc NA NA +HMDB00162 L-Proline C5H9NO2 57.531666 MH2+ Inhouse_peptide NA peptide +C00291 Nickel Ni 57.9353 NA KEGG NA NA +HMDB02457 Nickel Ni 57.93534 http://www.hmdb.ca/metabolites/HMDB02457 PFEM_hmdb_metabocards_urine NA urine +HMDB02457 Nickel Ni 57.93534 http://www.hmdb.ca/metabolites/HMDB02457 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02457 Nickel Ni 57.93534 http://www.hmdb.ca/metabolites/HMDB02457 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02457 Nickel Ni 57.93534 http://www.hmdb.ca/metabolites/HMDB02457 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02457 Nickel Ni 57.93534 http://www.hmdb.ca/metabolites/HMDB02457 HMDB NA NA +HMDB02457 Nickel Ni 57.93534 http://www.hmdb.ca/metabolites/HMDB02457 PFEM_hmdb_metabocards_blood NA blood +HMDB02457 Nickel Ni 57.93534 HMDB02457 PFEM_hmdb_metabocards_official NA NA +HMDB02457 Nickel [Ni]2+ 57.935341 NA HMDB2010 NA NA +MetaCyc00072 Ni2+ [nickel;Ni++;Ni+2;] NI1 57.935348 NA metacyc NA NA +MJ000057 Sodium chloride (NaCl) ClNa 57.958622 NA MeJP NA NA +MetaCyc00073 NaCl [sodium chloride;] NA1CL1 57.958622 NA metacyc NA NA +MJ000058 Potassium fluoride FK 57.96211 NA MeJP NA NA +HMDB01453 Thiocyanate [SCN]- 57.97514 NA HMDB2010 NA NA +C07876 Magnesium hydroxide MgH2O2 57.9905 NA KEGG NA NA +MJ000059 Magnesium hydroxide H2MgO2 57.990521 NA MeJP NA NA +C14448 Glyoxal C2H2O2 58.0055 NA KEGG NA NA +HMDB01659 Acetone C3H6O 58.04186 http://www.hmdb.ca/metabolites/HMDB01659 PFEM_hmdb_metabocards_urine NA urine +HMDB01659 Acetone C3H6O 58.04186 http://www.hmdb.ca/metabolites/HMDB01659 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01659 Acetone C3H6O 58.04186 http://www.hmdb.ca/metabolites/HMDB01659 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01659 Acetone C3H6O 58.04186 http://www.hmdb.ca/metabolites/HMDB01659 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01659 Acetone C3H6O 58.04186 http://www.hmdb.ca/metabolites/HMDB01659 HMDB NA NA +HMDB03366 Propanal C3H6O 58.04186 http://www.hmdb.ca/metabolites/HMDB03366 HMDB NA NA +HMDB01659 Acetone C3H6O 58.04186 http://www.hmdb.ca/metabolites/HMDB01659 PFEM_hmdb_metabocards_blood NA blood +HMDB01659 Acetone C3H6O 58.04186 HMDB01659 PFEM_hmdb_metabocards_official NA NA +HMDB03366 Propanal C3H6O 58.04186 HMDB03366 PFEM_hmdb_metabocards_official NA NA +MJ000060 Acetone C3H6O 58.041864 NA MeJP NA NA +MJ000061 Propanal C3H6O 58.041864 NA MeJP NA NA +MJ000062 2-Propen-1-ol C3H6O 58.041864 NA MeJP NA NA +MJ000063 Acetone C3H6O 58.041864 NA MeJP NA NA +MJ000064 Propanal C3H6O 58.041864 NA MeJP NA NA +MetaCyc00074 acetone [dimethylketone;2-propanone;propanone;] C3H6O1 58.041865 67-64-1 metacyc NA NA +MetaCyc00075 (S)-1,2-epoxypropane [] C3H6O1 58.041865 NA metacyc NA NA +MetaCyc00076 (R)-1,2-epoxypropane [] C3H6O1 58.041865 NA metacyc NA NA +MetaCyc00077 propanal [Propionaldehyde;] C3H6O1 58.041865 123-38-6 metacyc NA NA +MetaCyc00078 (S)-1,2-epoxypropane [] C3H6O1 58.041865 NA metacyc NA NA +MetaCyc00079 allyl alcohol [] C3H6O1 58.041865 107-18-6 metacyc NA NA +HMDB01659 Acetone C3H6O 58.041866 NA HMDB2010 NA NA +HMDB03366 Propanal C3H6O 58.041866 NA HMDB2010 NA NA +C00207 Acetone C3H6O 58.0419 NA KEGG NA NA +C00479 Propanal C3H6O 58.0419 NA KEGG NA NA +C00480 Pullulan C3H6O 58.0419 NA KEGG NA NA +C02001 Allyl alcohol C3H6O 58.0419 NA KEGG NA NA +C02002 C3a anaphylatoxin C3H6O 58.0419 NA KEGG NA NA +C02003 Anthocyanidin C15H9O5R2 58.0419 NA KEGG NA NA +C11506 (R)-1,2-Epoxypropane C3H6O 58.0419 NA KEGG NA NA +C11507 (S)-1,2-Epoxypropane C3H6O 58.0419 NA KEGG NA NA +C15508 1,2-Epoxypropane C3H6O 58.0419 NA KEGG NA NA +MJ000065 2-Methylpropane C4H10 58.07825 NA MeJP NA NA +HMDB02287 Homocysteine thiolactone C4H7NOS 58.512417 MH2+ Inhouse_peptide NA peptide +HMDB00532 Acetylglycine C4H7NO3 58.5212975 MH2+ Inhouse_peptide NA peptide +HMDB00128 Guanidoacetic acid C3H7N3O2 58.5269125 MH2+ Inhouse_peptide NA peptide +HMDB00043 Betaine C5H11NO2 58.5394895 MH2+ Inhouse_peptide NA peptide +HMDB00883 L-Valine C5H11NO2 58.5394895 MH2+ Inhouse_peptide NA peptide +HMDB00608 Cobalt [Co]2+ 58.933189 NA HMDB2010 NA NA +HMDB00608 Cobalt Co 58.93319 http://www.hmdb.ca/metabolites/HMDB00608 PFEM_hmdb_metabocards_urine NA urine +HMDB00608 Cobalt Co 58.93319 http://www.hmdb.ca/metabolites/HMDB00608 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00608 Cobalt Co 58.93319 http://www.hmdb.ca/metabolites/HMDB00608 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00608 Cobalt Co 58.93319 http://www.hmdb.ca/metabolites/HMDB00608 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00608 Cobalt Co 58.93319 http://www.hmdb.ca/metabolites/HMDB00608 HMDB NA NA +HMDB00608 Cobalt Co 58.93319 http://www.hmdb.ca/metabolites/HMDB00608 PFEM_hmdb_metabocards_blood NA blood +HMDB00608 Cobalt Co 58.93319 HMDB00608 PFEM_hmdb_metabocards_official NA NA +C00175 Cobalt ion Co 58.9332 NA KEGG NA NA +C00176 Flavin C12H9N4O2R 58.9332 NA KEGG NA NA +MetaCyc00080 Co2+ [Co+2;Co++;cobalt ion;] COBALT1 58.9332 7440-48-4 metacyc NA NA +MJ000066 Thiocyanic acid CHNS 58.982969 NA MeJP NA NA +HMDB01453 Thiocyanate CHNS 58.98297 http://www.hmdb.ca/metabolites/HMDB01453 PFEM_hmdb_metabocards_urine NA urine +HMDB01453 Thiocyanate CHNS 58.98297 http://www.hmdb.ca/metabolites/HMDB01453 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01453 Thiocyanate CHNS 58.98297 http://www.hmdb.ca/metabolites/HMDB01453 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01453 Thiocyanate CHNS 58.98297 http://www.hmdb.ca/metabolites/HMDB01453 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01453 Thiocyanate CHNS 58.98297 http://www.hmdb.ca/metabolites/HMDB01453 HMDB NA NA +MetaCyc00081 thiocyanate [thiocyanic acid;thiocyanate;hydrogen thiocyanate;] C1H1N1S1 58.98297 463-56-9 metacyc NA NA +HMDB01453 Thiocyanate CHNS 58.98297 http://www.hmdb.ca/metabolites/HMDB01453 PFEM_hmdb_metabocards_blood NA blood +HMDB01453 Thiocyanate CHNS 58.98297 HMDB01453 PFEM_hmdb_metabocards_official NA NA +C01755 Thiocyanate CHNS 58.983 NA KEGG NA NA +C01812 Haloacetate C2H3O2X 59.0133 NA KEGG NA NA +C01813 Haloalcohol CH2OXR 59.0133 NA KEGG NA NA +MetaCyc00082 acetate [acet;acetic acid;ethanoic acid;] C2H3O2 59.013304 71-50-1 metacyc NA NA +C06244 Acetamide C2H5NO 59.0371 NA KEGG NA NA +C06246 Gla protein C7H8N2O6R2 59.0371 NA KEGG NA NA +C06247 Gla protein precursor C6H8N2O4R2 59.0371 NA KEGG NA NA +C06735 Aminoacetaldehyde C2H5NO 59.0371 NA KEGG NA NA +C11489 NMF C2H5NO 59.0371 NA KEGG NA NA +HMDB03656 Acetaldehyde oxime C2H5NO 59.03711 http://www.hmdb.ca/metabolites/HMDB03656 HMDB NA NA +HMDB03656 Acetaldehyde oxime C2H5NO 59.03711 HMDB03656 PFEM_hmdb_metabocards_official NA NA +HMDB01122 N-Methylformamide C2H5NO 59.037113 NA HMDB2010 NA NA +HMDB03656 Acetaldehyde oxime C2H5NO 59.037113 NA HMDB2010 NA NA +HMDB06284 L-2,4-diaminobutyric acid C4H10N2O2 59.037113 MH2+ Inhouse_peptide NA peptide +MJ000067 Acetamide C2H5NO 59.037113 NA MeJP NA NA +MJ000068 N-Methylformamide C2H5NO 59.037113 NA MeJP NA NA +MJ000069 Acetaldehyde oxime C2H5NO 59.037113 NA MeJP NA NA +MetaCyc00083 aminoacetaldehyde [] C2H5N1O1 59.037114 452-86-8 metacyc NA NA +MetaCyc00084 acetamide [] C2H5N1O1 59.037114 60-35-5 metacyc NA NA +HMDB01842 Guanidine CH5N3 59.048347 NA HMDB2010 NA NA +MJ000070 Guanidine CH5N3 59.048347 NA MeJP NA NA +HMDB01842 Guanidine CH5N3 59.04835 http://www.hmdb.ca/metabolites/HMDB01842 PFEM_hmdb_metabocards_urine NA urine +HMDB01842 Guanidine CH5N3 59.04835 http://www.hmdb.ca/metabolites/HMDB01842 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01842 Guanidine CH5N3 59.04835 http://www.hmdb.ca/metabolites/HMDB01842 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01842 Guanidine CH5N3 59.04835 http://www.hmdb.ca/metabolites/HMDB01842 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01842 Guanidine CH5N3 59.04835 http://www.hmdb.ca/metabolites/HMDB01842 HMDB NA NA +HMDB01842 Guanidine CH5N3 59.04835 http://www.hmdb.ca/metabolites/HMDB01842 PFEM_hmdb_metabocards_blood NA blood +HMDB01842 Guanidine CH5N3 59.04835 HMDB01842 PFEM_hmdb_metabocards_official NA NA +HMDB00906 Trimethylamine C3H9N 59.073498 NA HMDB2010 NA NA +MJ000071 Trimethylamine C3H9N 59.073499 NA MeJP NA NA +MJ000072 1-Propylamine C3H9N 59.073499 NA MeJP NA NA +MJ000073 Trimethylamine C3H9N 59.073499 NA MeJP NA NA +MetaCyc00085 trimethylamine [(CH3)3NH;(CH3)3NH+;] C3H9N1 59.073499 75-50-3 metacyc NA NA +MetaCyc00086 isopropylamine [] C3H9N1 59.073499 NA metacyc NA NA +HMDB00906 Trimethylamine C3H9N 59.0735 http://www.hmdb.ca/metabolites/HMDB00906 PFEM_hmdb_metabocards_urine NA urine +HMDB00906 Trimethylamine C3H9N 59.0735 http://www.hmdb.ca/metabolites/HMDB00906 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00906 Trimethylamine C3H9N 59.0735 http://www.hmdb.ca/metabolites/HMDB00906 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00906 Trimethylamine C3H9N 59.0735 http://www.hmdb.ca/metabolites/HMDB00906 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00906 Trimethylamine C3H9N 59.0735 http://www.hmdb.ca/metabolites/HMDB00906 HMDB NA NA +C00565 Trimethylamine C3H9N 59.0735 NA KEGG NA NA +C06748 Isopropylamine C3H9N 59.0735 NA KEGG NA NA +HMDB00906 Trimethylamine C3H9N 59.0735 http://www.hmdb.ca/metabolites/HMDB00906 PFEM_hmdb_metabocards_blood NA blood +HMDB00906 Trimethylamine C3H9N 59.0735 HMDB00906 PFEM_hmdb_metabocards_official NA NA +HMDB00167 L-Threonine C4H9NO3 59.5291215 MH2+ Inhouse_peptide NA peptide +MJ000074 Silica O2Si 59.966755 NA MeJP NA NA +C16459 Crystalline silica SiO2 59.9668 NA KEGG NA NA +MetaCyc00087 carbonyl sulfide [] C1O1S1 59.966985 NA metacyc NA NA +C07331 Carbonyl sulfide COS 59.967 NA KEGG NA NA +MetaCyc00088 thioformamide [] C1H2N1S1 59.990795 NA metacyc NA NA +MetaCyc00089 carbamate [] C1H2N1O2 60.008553 NA metacyc NA NA +C00033 Acetate C2H4O2 60.0211 NA KEGG NA NA +C00266 Glycolaldehyde C2H4O2 60.0211 NA KEGG NA NA +MJ000075 Acetate C2H4O2 60.021129 NA MeJP NA NA +MJ000076 Glycolaldehyde C2H4O2 60.021129 NA MeJP NA NA +MJ000077 Acetic acid C2H4O2 60.021129 NA MeJP NA NA +MetaCyc00090 glycolaldehyde [2-OH-acetaldehyde;glycolaldehyde;hydroxyacetaldehyde;2-hydroxyethanal;] C2H4O2 60.021129 141-46-8 metacyc NA NA +HMDB00042 Acetic acid C2H4O2 60.02113 http://www.hmdb.ca/metabolites/HMDB00042 PFEM_hmdb_metabocards_urine NA urine +HMDB00042 Acetic acid C2H4O2 60.02113 http://www.hmdb.ca/metabolites/HMDB00042 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00042 Acetic acid C2H4O2 60.02113 http://www.hmdb.ca/metabolites/HMDB00042 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00042 Acetic acid C2H4O2 60.02113 http://www.hmdb.ca/metabolites/HMDB00042 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00042 Acetic acid C2H4O2 60.02113 http://www.hmdb.ca/metabolites/HMDB00042 HMDB NA NA +HMDB03344 Glycolaldehyde C2H4O2 60.02113 http://www.hmdb.ca/metabolites/HMDB03344 HMDB NA NA +HMDB00042 Acetic acid C2H4O2 60.02113 http://www.hmdb.ca/metabolites/HMDB00042 PFEM_hmdb_metabocards_blood NA blood +HMDB00042 Acetic acid C2H4O2 60.02113 HMDB00042 PFEM_hmdb_metabocards_official NA NA +HMDB03344 Glycolaldehyde C2H4O2 60.02113 HMDB03344 PFEM_hmdb_metabocards_official NA NA +HMDB00042 Acetic acid C2H4O2 60.02113 NA HMDB2010 NA NA +HMDB03344 Glycolaldehyde C2H4O2 60.02113 NA HMDB2010 NA NA +CJneg0001 Malonic acid [(M-H)-(CO2)]- C2H3O2 60.021725 C18rt(min)=1.04 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0001 Malonic acid [(M-H)-(CO2)]- C2H3O2 60.021725 C18rt(min)=1.04 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +HMDB00294 Urea CH4N2O 60.03236 http://www.hmdb.ca/metabolites/HMDB00294 PFEM_hmdb_metabocards_urine NA urine +HMDB00294 Urea CH4N2O 60.03236 http://www.hmdb.ca/metabolites/HMDB00294 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00294 Urea CH4N2O 60.03236 http://www.hmdb.ca/metabolites/HMDB00294 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00294 Urea CH4N2O 60.03236 http://www.hmdb.ca/metabolites/HMDB00294 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00294 Urea CH4N2O 60.03236 http://www.hmdb.ca/metabolites/HMDB00294 HMDB NA NA +HMDB00294 Urea CH4N2O 60.03236 http://www.hmdb.ca/metabolites/HMDB00294 PFEM_hmdb_metabocards_blood NA blood +HMDB00294 Urea CH4N2O 60.03236 HMDB00294 PFEM_hmdb_metabocards_official NA NA +MJ000078 Urea CH4N2O 60.032362 NA MeJP NA NA +MetaCyc00091 urea [bromisovalum;carmol;basodexan;carbamide;] C1H4N2O1 60.032363 57-13-6 metacyc NA NA +HMDB00294 Urea CH4N2O 60.032364 NA HMDB2010 NA NA +C00086 Urea CH4N2O 60.0324 NA KEGG NA NA +C01845 Propan-2-ol C3H8O 60.0575 NA KEGG NA NA +C05979 Propane-1-ol C3H8O 60.0575 NA KEGG NA NA +C05980 Cardiolipin C13H18O17P2R4 60.0575 NA KEGG NA NA +C05981 Phosphatidylinositol-3,4,5-trisphosphate C11H20O22P4R2 60.0575 NA KEGG NA NA +HMDB00820 Propyl alcohol C3H8O 60.05751 http://www.hmdb.ca/metabolites/HMDB00820 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00863 Isopropyl alcohol C3H8O 60.05751 http://www.hmdb.ca/metabolites/HMDB00863 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00820 Propyl alcohol C3H8O 60.05751 http://www.hmdb.ca/metabolites/HMDB00820 HMDB NA NA +HMDB00863 Isopropyl alcohol C3H8O 60.05751 http://www.hmdb.ca/metabolites/HMDB00863 HMDB NA NA +HMDB00820 Propyl alcohol C3H8O 60.05751 http://www.hmdb.ca/metabolites/HMDB00820 PFEM_hmdb_metabocards_blood NA blood +HMDB00863 Isopropyl alcohol C3H8O 60.05751 http://www.hmdb.ca/metabolites/HMDB00863 PFEM_hmdb_metabocards_blood NA blood +HMDB00820 Propyl alcohol C3H8O 60.05751 HMDB00820 PFEM_hmdb_metabocards_official NA NA +HMDB00863 Isopropyl alcohol C3H8O 60.05751 HMDB00863 PFEM_hmdb_metabocards_official NA NA +HMDB00820 Propyl alcohol C3H8O 60.057514 NA HMDB2010 NA NA +HMDB00863 Isopropyl alcohol C3H8O 60.057514 NA HMDB2010 NA NA +MJ000079 2-Propanol C3H8O 60.057514 NA MeJP NA NA +MJ000080 Propan-2-ol C3H8O 60.057514 NA MeJP NA NA +MJ000081 Propane-1-ol C3H8O 60.057514 NA MeJP NA NA +MetaCyc00092 n-propanol [osmosol extra;optal;1-hydroxypropane;ethylcarbinol;propane-1-ol;1-propanol;propanol;propylalcohol;] C3H8O1 60.057515 71-23-8 metacyc NA NA +MetaCyc00093 iso-propanol [Propan-2-ol;iso-propylalcohol;2-hydroxypropane;2-propanol;] C3H8O1 60.057515 67-63-0 metacyc NA NA +MetaCyc00094 ethanediamine [1,2-ethanediamine;] C2H8N2 60.068748 NA metacyc NA NA +MetaCyc00095 ethylenediamine [1,2-diaminoethane;1,2-ethanediamine;dimethylenediamine;] C2H8N2 60.068748 333-18-6 metacyc NA NA +HMDB00574 L-Cysteine C3H7NO2S 60.5098765 MH2+ Inhouse_peptide NA peptide +C17381 Dihydroxyaluminum Al 60.987 NA KEGG NA NA +HMDB00595 Hydrogen carbonate [HCO3]- 60.992569 NA HMDB2010 NA NA +MetaCyc00096 HCO3- [HCO3;bicarbonate;CO32-;CO3-2;carbonate;] C1H1O3 60.992569 144-55-8 metacyc NA NA +HMDB00595 Hydrogen Carbonate CHO3 60.99257 http://www.hmdb.ca/metabolites/HMDB00595 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00595 Hydrogen Carbonate CHO3 60.99257 http://www.hmdb.ca/metabolites/HMDB00595 HMDB NA NA +HMDB00595 Hydrogen Carbonate CHO3 60.99257 http://www.hmdb.ca/metabolites/HMDB00595 PFEM_hmdb_metabocards_blood NA blood +HMDB00595 Hydrogen Carbonate CHO3 60.99257 HMDB00595 PFEM_hmdb_metabocards_official NA NA +C00288 HCO3- HCO3 60.9926 NA KEGG NA NA +HMDB03551 Carbamic acid CH3NO2 61.016376 NA HMDB2010 NA NA +MJ000082 Carbamate CH3NO2 61.016378 NA MeJP NA NA +HMDB03551 Carbamic acid CH3NO2 61.01638 http://www.hmdb.ca/metabolites/HMDB03551 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03551 Carbamic acid CH3NO2 61.01638 http://www.hmdb.ca/metabolites/HMDB03551 HMDB NA NA +HMDB03551 Carbamic acid CH3NO2 61.01638 http://www.hmdb.ca/metabolites/HMDB03551 PFEM_hmdb_metabocards_blood NA blood +HMDB03551 Carbamic acid CH3NO2 61.01638 HMDB03551 PFEM_hmdb_metabocards_official NA NA +C01563 Carbamate CH3NO2 61.0164 NA KEGG NA NA +HMDB00149 Ethanolamine C2H7NO 61.05276 http://www.hmdb.ca/metabolites/HMDB00149 PFEM_hmdb_metabocards_urine NA urine +HMDB00149 Ethanolamine C2H7NO 61.05276 http://www.hmdb.ca/metabolites/HMDB00149 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00149 Ethanolamine C2H7NO 61.05276 http://www.hmdb.ca/metabolites/HMDB00149 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00149 Ethanolamine C2H7NO 61.05276 http://www.hmdb.ca/metabolites/HMDB00149 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00149 Ethanolamine C2H7NO 61.05276 http://www.hmdb.ca/metabolites/HMDB00149 HMDB NA NA +HMDB00149 Ethanolamine C2H7NO 61.05276 http://www.hmdb.ca/metabolites/HMDB00149 PFEM_hmdb_metabocards_blood NA blood +HMDB00149 Ethanolamine C2H7NO 61.05276 HMDB00149 PFEM_hmdb_metabocards_official NA NA +MJ000083 Ethanolamine C2H7NO 61.052763 NA MeJP NA NA +MJ000084 2-Aminoethanol C2H7NO 61.052763 NA MeJP NA NA +MetaCyc00097 ethanolamine [2-aminoethanol;monoethanolamine;colamine;ethanol-amine;] C2H7N1O1 61.052764 141-43-5 metacyc NA NA +HMDB00149 Ethanolamine C2H7NO 61.052765 NA HMDB2010 NA NA +C00189 Ethanolamine C2H7NO 61.0528 NA KEGG NA NA +HMDB01488 Nicotinic acid C6H5NO2 61.516014 MH2+ Inhouse_peptide NA peptide +HMDB02243 Picolinic acid C6H5NO2 61.516014 MH2+ Inhouse_peptide NA peptide +C16845 Peroxynitrite NO3 61.9878 NA KEGG NA NA +MetaCyc00098 NO3- [NO3;nitrate;] N1O3 61.987818 14797-55-8 metacyc NA NA +HMDB02878 Nitrate NO3 61.98782 http://www.hmdb.ca/metabolites/HMDB02878 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02179 Peroxynitrite NO3 61.98782 http://www.hmdb.ca/metabolites/HMDB02179 HMDB NA NA +HMDB02878 Nitrate NO3 61.98782 http://www.hmdb.ca/metabolites/HMDB02878 HMDB NA NA +HMDB02878 Nitrate NO3 61.98782 http://www.hmdb.ca/metabolites/HMDB02878 PFEM_hmdb_metabocards_blood NA blood +HMDB02179 Peroxynitrite NO3 61.98782 HMDB02179 PFEM_hmdb_metabocards_official NA NA +HMDB02878 Nitrate NO3 61.98782 HMDB02878 PFEM_hmdb_metabocards_official NA NA +HMDB02179 Peroxynitrite [NO3]- 61.98782 NA HMDB2010 NA NA +HMDB02878 Nitrate [NO3]- 61.98782 NA HMDB2010 NA NA +C06793 Vinyl chloride C2H3Cl 61.9923 NA KEGG NA NA +MJ000085 Vinyl chloride C2H3Cl 61.992327 NA MeJP NA NA +MetaCyc00099 vinyl-chloride [VC;] C2H3CL1 61.992328 NA metacyc NA NA +HMDB03538 Carbonic acid CH2O3 62.000389 NA HMDB2010 NA NA +HMDB03538 Carbonic acid CH2O3 62.00039 http://www.hmdb.ca/metabolites/HMDB03538 HMDB NA NA +HMDB03538 Carbonic acid CH2O3 62.00039 HMDB03538 PFEM_hmdb_metabocards_official NA NA +MJ000086 H2CO3 CH2O3 62.000393 NA MeJP NA NA +MetaCyc00100 H2CO3 [carbonic acid;] C1H2O3 62.000394 463-79-6 metacyc NA NA +C01353 Carbonic acid H2CO3 62.0004 NA KEGG NA NA +C01355 Fructan H2CO3 62.0004 NA KEGG NA NA +C01356 Lipid H2CO3 62.0004 NA KEGG NA NA +C01818 Hyponitrite N2H2O2 62.0116 NA KEGG NA NA +MetaCyc00101 hyponitrous acid [hyponitrite;] H2N2O2 62.011627 NA metacyc NA NA +MJ000087 Fluoroacetaldehyde C2H3FO 62.016792 NA MeJP NA NA +C15488 Fluoroacetaldehyde C2H3FO 62.0168 NA KEGG NA NA +C12486 Boric acid H3BO3 62.0175 NA KEGG NA NA +C12487 Transferred to D01090 H3BO3 62.0175 NA KEGG NA NA +C12488 Transferred to D01091 H3BO3 62.0175 NA KEGG NA NA +C12489 Transferred to D01092 H3BO3 62.0175 NA KEGG NA NA +MJ000088 Boric acid (H3BO3) BH3O3 62.017524 NA MeJP NA NA +C00580 Dimethyl sulfide C2H6S 62.019 NA KEGG NA NA +HMDB02303 Dimethylsulfide C2H6S 62.01902 http://www.hmdb.ca/metabolites/HMDB02303 HMDB NA NA +HMDB02303 Dimethylsulfide C2H6S 62.01902 HMDB02303 PFEM_hmdb_metabocards_official NA NA +HMDB02303 Dimethylsulfide C2H6S 62.01902 NA HMDB2010 NA NA +MetaCyc00102 dimethylsulfide [reduced dimethyl sulfoxide;dimethyl sulphide;dimethylsulphide;DMS;dimethyl sulfide;] C2H6S1 62.019021 75-18-3 metacyc NA NA +MJ000089 Glycol C2H6O2 62.036779 NA MeJP NA NA +MetaCyc00103 ethylene glycol [monoethylene glycol;2-hydroxyethanol;ethanediol;1,2-ethanediol;glycol;] C2H6O2 62.036779 107-21-1 metacyc NA NA +C01380 Ethylene glycol C2H6O2 62.0368 NA KEGG NA NA +C15588 Glycol C2H6O2 62.0368 NA KEGG NA NA +HMDB00251 Taurine C2H7NO3S 62.507332 MH2+ Inhouse_peptide NA peptide +HMDB00657 Copper Cu 62.9296 http://www.hmdb.ca/metabolites/HMDB00657 PFEM_hmdb_metabocards_urine NA urine +HMDB00657 Copper Cu 62.9296 http://www.hmdb.ca/metabolites/HMDB00657 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00657 Copper Cu 62.9296 http://www.hmdb.ca/metabolites/HMDB00657 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00657 Copper Cu 62.9296 http://www.hmdb.ca/metabolites/HMDB00657 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00657 Copper Cu 62.9296 http://www.hmdb.ca/metabolites/HMDB00657 HMDB NA NA +C00070 Copper Cu 62.9296 NA KEGG NA NA +C00071 Aldehyde CHOR 62.9296 NA KEGG NA NA +HMDB00657 Copper Cu 62.9296 http://www.hmdb.ca/metabolites/HMDB00657 PFEM_hmdb_metabocards_blood NA blood +HMDB00657 Copper Cu 62.9296 HMDB00657 PFEM_hmdb_metabocards_official NA NA +HMDB00657 Copper [Cu]2+ 62.9296 NA HMDB2010 NA NA +MetaCyc00104 Cu2+ [Cu+2;Cu++;cupric ion;] CU1 62.929601 NA metacyc NA NA +MetaCyc00105 Cu+ [Cu(I);cuprous ion;] CU1 62.929601 NA metacyc NA NA +C00244 Nitrate HNO3 62.9956 NA KEGG NA NA +MJ000090 Nitrate HNO3 62.995642 NA MeJP NA NA +HMDB02024 Imidazoleacetic acid C5H6N2O2 63.0214655 MH2+ Inhouse_peptide NA peptide +C00038 Zinc Zn 63.9291 NA KEGG NA NA +C00039 DNA C10H17O8PR2 63.9291 NA KEGG NA NA +C00040 Acyl-CoA C22H35N7O17P3SR 63.9291 NA KEGG NA NA +HMDB01303 Zinc [Zn]2+ 63.929138 NA HMDB2010 NA NA +HMDB01303 Zinc Zn 63.92914 http://www.hmdb.ca/metabolites/HMDB01303 PFEM_hmdb_metabocards_urine NA urine +HMDB01303 Zinc Zn 63.92914 http://www.hmdb.ca/metabolites/HMDB01303 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01303 Zinc Zn 63.92914 http://www.hmdb.ca/metabolites/HMDB01303 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01303 Zinc Zn 63.92914 http://www.hmdb.ca/metabolites/HMDB01303 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01303 Zinc Zn 63.92914 http://www.hmdb.ca/metabolites/HMDB01303 HMDB NA NA +HMDB01303 Zinc Zn 63.92914 http://www.hmdb.ca/metabolites/HMDB01303 PFEM_hmdb_metabocards_blood NA blood +HMDB01303 Zinc Zn 63.92914 HMDB01303 PFEM_hmdb_metabocards_official NA NA +C09306 Sulfur dioxide SO2 63.9619 NA KEGG NA NA +MetaCyc00106 sulphur dioxide [sulfur dioxide;SO2;] O2S1 63.9619 09/05/7446 metacyc NA NA +MJ000091 Chloroethane C2H5Cl 64.007977 NA MeJP NA NA +HMDB00267 Pyroglutamic acid C5H7NO3 64.5212935 MH2+ Inhouse_peptide NA peptide +HMDB00070 Pipecolic acid C6H11NO2 64.5394895 MH2+ Inhouse_peptide NA peptide +HMDB00716 L-Pipecolic acid C6H11NO2 64.5394895 MH2+ Inhouse_peptide NA peptide +HMDB05960 D-Pipecolic acid C6H11NO2 64.5394895 MH2+ Inhouse_peptide NA peptide +MetaCyc00107 KCN [kalium cyanid;] C1N1K1 64.966781 NA metacyc NA NA +MJ000092 Sodium cyanate CNNaO 64.987758 NA MeJP NA NA +MetaCyc00108 sodium azide [azide;NaN3;hydrazoic acid, sodium salt;] N3NA1 64.998992 26628-22-8 metacyc NA NA +MetaCyc04470 Zn2+ [Zinc;Zn+2;Zn++;zinc ion;] NA 65.38 7440-66-6 metacyc NA NA +HMDB00725 Hydroxyproline C5H9NO3 65.5291215 MH2+ Inhouse_peptide NA peptide +HMDB01149 5-Aminolevulinic acid C5H9NO3 65.5291215 MH2+ Inhouse_peptide NA peptide +HMDB06055 4-Hydroxy-L-proline C5H9NO3 65.5291215 MH2+ Inhouse_peptide NA peptide +HMDB00064 Creatine C4H9N3O2 65.5347365 MH2+ Inhouse_peptide NA peptide +HMDB00172 L-Isoleucine C6H13NO2 65.5473175 MH2+ Inhouse_peptide NA peptide +HMDB00557 L-Alloisoleucine C6H13NO2 65.5473175 MH2+ Inhouse_peptide NA peptide +HMDB00687 L-Leucine C6H13NO2 65.5473175 MH2+ Inhouse_peptide NA peptide +HMDB01901 Aminocaproic acid C6H13NO2 65.5473175 MH2+ Inhouse_peptide NA peptide +HMDB03640 Beta-Leucine C6H13NO2 65.5473175 MH2+ Inhouse_peptide NA peptide +MetaCyc00109 hypophosphite [phosphinate;phosphinic acid;] H3O2P1 65.987066 10039-56-2 metacyc NA NA +C05339 Phosphinate H3PO2 65.9871 NA KEGG NA NA +7616 ACE inhibitor GG 66.021 MH2+ Inhouse_peptide NA peptide +HMDB00168 L-Asparagine C4H8N2O3 66.0267485 MH2+ Inhouse_peptide NA peptide +MJ000093 1,1-Difluoroethane C2H4F2 66.028106 NA MeJP NA NA +MJ000094 Lithium acetate C2H3LiO2 66.029308 NA MeJP NA NA +HMDB00214 Ornithine C5H12N2O2 66.044937 MH2+ Inhouse_peptide NA peptide +HMDB03374 D-Ornithine C5H12N2O2 66.044937 MH2+ Inhouse_peptide NA peptide +HMDB00191 L-Aspartic acid C4H7NO4 66.518753 MH2+ Inhouse_peptide NA peptide +HMDB06483 D-Aspartic acid C4H7NO4 66.518753 MH2+ Inhouse_peptide NA peptide +HMDB02077 Chlorite [ClO2]- 66.958679 NA HMDB2010 NA NA +MJ000095 3-Butenoic acid; Nitrile C4H5N 67.042199 NA MeJP NA NA +MJ000096 Pyrrole C4H5N 67.042199 NA MeJP NA NA +HMDB00742 Homocysteine C4H9NO2S 67.5177 MH2+ Inhouse_peptide NA peptide +C01486 Chlorite HO2Cl 67.9665 NA KEGG NA NA +MetaCyc00110 chlorite [] H1O2CL1 67.966507 NA metacyc NA NA +HMDB02077 Chlorite ClHO2 67.96651 http://www.hmdb.ca/metabolites/HMDB02077 HMDB NA NA +HMDB02077 Chlorite ClHO2 67.96651 HMDB02077 PFEM_hmdb_metabocards_official NA NA +C06145 3-Butyn-1-al C4H4O 68.0262 NA KEGG NA NA +C14275 Furan C4H4O 68.0262 NA KEGG NA NA +HMDB06853 3-Butyn-1-al C4H4O 68.02621 http://www.hmdb.ca/metabolites/HMDB06853 HMDB NA NA +HMDB06853 3-Butyn-1-al C4H4O 68.02621 HMDB06853 PFEM_hmdb_metabocards_official NA NA +MJ000097 Furan C4H4O 68.026214 NA MeJP NA NA +HMDB06853 3-Butyn-1-al C4H4O 68.026215 NA HMDB2010 NA NA +C00481 Pyrazole C3H4N2 68.0374 NA KEGG NA NA +C01589 Imidazole C3H4N2 68.0374 NA KEGG NA NA +HMDB01525 Imidazole C3H4N2 68.037445 NA HMDB2010 NA NA +MJ000098 2-Amino-2-propenoic acid; Nitrile C3H4N2 68.037448 NA MeJP NA NA +MJ000099 Imidazole C3H4N2 68.037448 NA MeJP NA NA +MetaCyc00111 pyrazole [1,2-diazole;] C3H4N2 68.037448 NA metacyc NA NA +MetaCyc00112 imidazole [imidazole;] C3H4N2 68.037448 288-32-4 metacyc NA NA +HMDB01525 Imidazole C3H4N2 68.03745 http://www.hmdb.ca/metabolites/HMDB01525 HMDB NA NA +HMDB01525 Imidazole C3H4N2 68.03745 HMDB01525 PFEM_hmdb_metabocards_official NA NA +C16521 Isoprene C5H8 68.0626 NA KEGG NA NA +MJ000100 2-Methyl-1,3-butadiene C5H8 68.0626 NA MeJP NA NA +MJ000101 2-Pentyne C5H8 68.0626 NA MeJP NA NA +HMDB01123 2-Aminobenzoic acid C7H7NO2 68.523842 MH2+ Inhouse_peptide NA peptide +HMDB01538 3-Pyridylacetic acid C7H7NO2 68.523842 MH2+ Inhouse_peptide NA peptide +HMDB01478 Gallium Ga 68.92557 http://www.hmdb.ca/metabolites/HMDB01478 HMDB NA NA +HMDB01478 Gallium Ga 68.92557 HMDB01478 PFEM_hmdb_metabocards_official NA NA +MJ000102 Sodium nitrite NNaO2 68.982672 NA MeJP NA NA +C11598 Hydroxylamine hydrochloride NH3O 68.9981 NA KEGG NA NA +HMDB00301 Urocanic acid C6H6N2O2 69.0214615 MH2+ Inhouse_peptide NA peptide +C02420 Isobutyronitrile C4H7N 69.0578 NA KEGG NA NA +C15668 1-Pyrroline C4H7N 69.0578 NA KEGG NA NA +C15669 Teicoplanin A3 C66H57Cl2N8O23 69.0578 NA KEGG NA NA +MJ000103 3,4-Dihydro-2H-pyrrole C4H7N 69.057849 NA MeJP NA NA +MetaCyc00113 1-pyrroline [] C4H7N1 69.057849 NA metacyc NA NA +MetaCyc00114 2-methylpropionitrile [] C4H7N1 69.057849 NA metacyc NA NA +HMDB06804 Propynoic acid C3H2O2 70.005478 NA HMDB2010 NA NA +MJ000104 Propynoate C3H2O2 70.005479 NA MeJP NA NA +MetaCyc00115 propynoate [acetylene monocarboxylic acid;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate;] C3H2O2 70.005479 471-25-0 metacyc NA NA +HMDB06804 Propynoate C3H2O2 70.00548 http://www.hmdb.ca/metabolites/HMDB06804 HMDB NA NA +HMDB06804 Propynoate C3H2O2 70.00548 HMDB06804 PFEM_hmdb_metabocards_official NA NA +C00804 Propynoate C3H2O2 70.0055 NA KEGG NA NA +HMDB02820 Methylimidazoleacetic acid C6H8N2O2 70.029289 MH2+ Inhouse_peptide NA peptide +HMDB04988 Pi-Methylimidazoleacetic acid C6H8N2O2 70.029289 MH2+ Inhouse_peptide NA peptide +MJ000105 3-Butyn-1-al C4H6O 70.041864 NA MeJP NA NA +MJ000106 2,5-Dihydrofuran C4H6O 70.041864 NA MeJP NA NA +MJ000107 2-Butenal C4H6O 70.041864 NA MeJP NA NA +MJ000108 2-Methyl-2-propenal C4H6O 70.041864 NA MeJP NA NA +MJ000109 3-Buten-2-one C4H6O 70.041864 NA MeJP NA NA +MJ000110 Divinyl ether C4H6O 70.041864 NA MeJP NA NA +C06146 3-Butyn-1-ol C4H6O 70.0419 NA KEGG NA NA +C06147 ((R)-3-Hydroxybutanoyl)(n-2) C4H6O 70.0419 NA KEGG NA NA +C17721 Vinyl ether C4H6O 70.0419 NA KEGG NA NA +MJ000111 alpha-Aminopropiononitrile C3H6N2 70.053098 NA MeJP NA NA +MJ000112 beta-Aminopropionitrile C3H6N2 70.053098 NA MeJP NA NA +MJ000113 3-Aminopropanoic acid; Nitrile C3H6N2 70.053098 NA MeJP NA NA +MetaCyc00116 β-aminopropionitrile [3-aminopropanenitrile;aminopropionitrile;2-cyanoethylamine;3-aminopropionitrile;β-alaminenitrile;β-alaninenitrile;3-amino-propatenitrile;3-amino-propionitrile,;β-cyanoethylamine;] C3H6N2 70.053098 NA metacyc NA NA +HMDB04101 beta-Aminopropionitrile C3H6N2 70.0531 http://www.hmdb.ca/metabolites/HMDB04101 HMDB NA NA +C05670 beta-Aminopropionitrile C3H6N2 70.0531 NA KEGG NA NA +C05714 alpha-Aminopropiononitrile C3H6N2 70.0531 NA KEGG NA NA +HMDB04101 beta-Aminopropionitrile C3H6N2 70.0531 HMDB04101 PFEM_hmdb_metabocards_official NA NA +HMDB04101 Beta-Aminopropionitrile C3H6N2 70.053101 NA HMDB2010 NA NA +MJ000114 2-Methyl-2-butene C5H10 70.07825 NA MeJP NA NA +C01659 Acrylamide C3H5NO 71.0371 NA KEGG NA NA +HMDB04296 Acrylamide C3H5NO 71.03711 http://www.hmdb.ca/metabolites/HMDB04296 HMDB NA NA +HMDB04296 Acrylamide C3H5NO 71.03711 HMDB04296 PFEM_hmdb_metabocards_official NA NA +MJ000115 2-Propenoic acid; Amide C3H5NO 71.037113 NA MeJP NA NA +MJ000116 Acrylamide C3H5NO 71.037113 NA MeJP NA NA +MetaCyc00117 acrylamide [] C3H5N1O1 71.037114 NA metacyc NA NA +HMDB04296 Acrylamide C3H5NO 71.037117 NA HMDB2010 NA NA +MetaCyc00118 2-pyrazoline [] C3H7N2 71.060923 NA metacyc NA NA +MJ000117 Pyrrolidine C4H9N 71.073499 NA MeJP NA NA +MetaCyc00119 pyrrolidine [pyrrolidine;tetrahydropyrrol;] C4H9N1 71.073499 123-75-1 metacyc NA NA +C12244 3-Buten-1-amine C4H9N 71.0735 NA KEGG NA NA +EUR273 Valine F2 F2 71.077175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR273 Valine F2 NA 71.077175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR273 Valine F2 F2 71.077175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR273 Valine F2 NA 71.077175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR273 Valine F2 F2 71.077175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR273 Valine F2 NA 71.077175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR273 Valine F2 F2 71.077175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR273 Valine F2 F2 71.077175 standards wishlist analysés sur QTOF HMDB NA NA +EUR273 Valine F2 F2 71.077175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR273 Valine F2 NA 71.077175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR273 Valine F2 F2 71.077175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR273 Valine F2 F2 71.077175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB04827 Proline betaine C7H13NO2 71.5473175 MH2+ Inhouse_peptide NA peptide +C17392 Calcium sulfide CaS 71.9347 NA KEGG NA NA +MJ000118 Calcium peroxide (CaO2) CaO2 71.95242 NA MeJP NA NA +EUR204 Malondialdehyde C3H4O2 72.0211 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR204 Malondialdehyde C3H4O2 72.0211 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR204 Malondialdehyde C3H4O2 72.0211 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR204 Malondialdehyde C3H4O2 72.0211 Wishlist Inhousejuil11 NA NA +C00511 Propenoate C3H4O2 72.0211 NA KEGG NA NA +C00546 Methylglyoxal C3H4O2 72.0211 NA KEGG NA NA +HMDB01167 Pyruvaldehyde C3H4O2 72.021126 NA HMDB2010 NA NA +HMDB06112 Malondialdehyde C3H4O2 72.021126 NA HMDB2010 NA NA +MJ000119 Methylglyoxal C3H4O2 72.021129 NA MeJP NA NA +MJ000120 Propenoate C3H4O2 72.021129 NA MeJP NA NA +MJ000121 2-Oxetanone C3H4O2 72.021129 NA MeJP NA NA +MJ000122 2-Propenoic acid C3H4O2 72.021129 NA MeJP NA NA +MJ000123 Pyruvaldehyde C3H4O2 72.021129 NA MeJP NA NA +MetaCyc00120 methylglyoxal [oxopropanal;acetylformaldehyde;pyruvic aldehyde;pyruvaldehyde;methyl-glyoxal;2-oxo-propanal;] C3H4O2 72.021129 78-98-8 metacyc NA NA +MetaCyc00121 acrylate [] C3H4O2 72.021129 NA metacyc NA NA +EUR204 Malondialdehyde C3H4O2 72.02113 Wishlist PFEM_hmdb_metabocards_urine NA urine +HMDB01167 Pyruvaldehyde C3H4O2 72.02113 http://www.hmdb.ca/metabolites/HMDB01167 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06112 Malondialdehyde C3H4O2 72.02113 http://www.hmdb.ca/metabolites/HMDB06112 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR204 Malondialdehyde C3H4O2 72.02113 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR204 Malondialdehyde C3H4O2 72.02113 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR204 Malondialdehyde C3H4O2 72.02113 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01167 Pyruvaldehyde C3H4O2 72.02113 http://www.hmdb.ca/metabolites/HMDB01167 HMDB NA NA +HMDB06112 Malondialdehyde C3H4O2 72.02113 http://www.hmdb.ca/metabolites/HMDB06112 HMDB NA NA +EUR204 Malondialdehyde C3H4O2 72.02113 Wishlist HMDB NA NA +EUR204 Malondialdehyde C3H4O2 72.02113 Wishlist Inhouse_PFEM NA NA +HMDB01167 Pyruvaldehyde C3H4O2 72.02113 http://www.hmdb.ca/metabolites/HMDB01167 PFEM_hmdb_metabocards_blood NA blood +HMDB06112 Malondialdehyde C3H4O2 72.02113 http://www.hmdb.ca/metabolites/HMDB06112 PFEM_hmdb_metabocards_blood NA blood +EUR204 Malondialdehyde C3H4O2 72.02113 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR204 Malondialdehyde C3H4O2 72.02113 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB01167 Pyruvaldehyde C3H4O2 72.02113 HMDB01167 PFEM_hmdb_metabocards_official NA NA +HMDB06112 Malondialdehyde C3H4O2 72.02113 HMDB06112 PFEM_hmdb_metabocards_official NA NA +CJneg0002 Maleic acid [(M-H)-(CO2)]- C3H3O2 72.021725 C18rt(min)=1.6 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0003 Fumaric acid [(M-H)-(CO2)]- C3H3O2 72.021725 C18rt(min)=1.1 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0002 Maleic acid [(M-H)-(CO2)]- C3H3O2 72.021725 C18rt(min)=1.6 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0003 Fumaric acid [(M-H)-(CO2)]- C3H3O2 72.021725 C18rt(min)=1.1 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C01412 Butanal C4H8O 72.0575 NA KEGG NA NA +C02845 Methyl ethyl ketone C4H8O 72.0575 NA KEGG NA NA +HMDB00246 Tetrahydrofuran C4H8O 72.05751 http://www.hmdb.ca/metabolites/HMDB00246 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00474 Butanone C4H8O 72.05751 http://www.hmdb.ca/metabolites/HMDB00474 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00246 Tetrahydrofuran C4H8O 72.05751 http://www.hmdb.ca/metabolites/HMDB00246 HMDB NA NA +HMDB00474 Butanone C4H8O 72.05751 http://www.hmdb.ca/metabolites/HMDB00474 HMDB NA NA +HMDB03543 Butanal C4H8O 72.05751 http://www.hmdb.ca/metabolites/HMDB03543 HMDB NA NA +HMDB00246 Tetrahydrofuran C4H8O 72.05751 http://www.hmdb.ca/metabolites/HMDB00246 PFEM_hmdb_metabocards_blood NA blood +HMDB00474 Butanone C4H8O 72.05751 http://www.hmdb.ca/metabolites/HMDB00474 PFEM_hmdb_metabocards_blood NA blood +HMDB00246 Tetrahydrofuran C4H8O 72.05751 HMDB00246 PFEM_hmdb_metabocards_official NA NA +HMDB00474 Butanone C4H8O 72.05751 HMDB00474 PFEM_hmdb_metabocards_official NA NA +HMDB03543 Butanal C4H8O 72.05751 HMDB03543 PFEM_hmdb_metabocards_official NA NA +MJ000124 2-Butanone C4H8O 72.057514 NA MeJP NA NA +MJ000125 2-Buten-1-ol C4H8O 72.057514 NA MeJP NA NA +MJ000126 2-Methylpropanal C4H8O 72.057514 NA MeJP NA NA +MJ000127 3-Buten-1-ol C4H8O 72.057514 NA MeJP NA NA +MJ000128 Butanal C4H8O 72.057514 NA MeJP NA NA +MJ000129 Ethyl vinyl ether C4H8O 72.057514 NA MeJP NA NA +MJ000130 3-Butyn-1-ol C4H8O 72.057514 NA MeJP NA NA +MJ000131 Butanal C4H8O 72.057514 NA MeJP NA NA +MetaCyc00122 methyl ethyl ketone [MEK;methylethylketone;butanone;2-butanone;ethylmethylketone;] C4H8O1 72.057515 78-93-3 metacyc NA NA +MetaCyc00123 isobutanal [isobutyraldehyde;] C4H8O1 72.057515 NA metacyc NA NA +MetaCyc00124 butyraldehyde [1-butanal;butanal;n-butyraldehyde;] C4H8O1 72.057515 123-72-8 metacyc NA NA +HMDB00246 Tetrahydrofuran C4H8O 72.057518 NA HMDB2010 NA NA +HMDB00474 Butanone C4H8O 72.057518 NA HMDB2010 NA NA +HMDB03543 Butanal C4H8O 72.057518 NA HMDB2010 NA NA +MetaCyc00125 pyrazolidine [] C3H8N2 72.068748 NA metacyc NA NA +MJ000132 Pentane C5H12 72.0939 NA MeJP NA NA +HMDB03681 4-Acetamidobutanoic acid C6H11NO3 72.536949 MH2+ Inhouse_peptide NA peptide +HMDB03464 4-Guanidinobutanoic acid C5H11N3O2 72.5425645 MH2+ Inhouse_peptide NA peptide +MJ000133 Methyl isothiocyanate C2H3NS 72.998619 NA MeJP NA NA +C15809 Iminoglycine C2H3NO2 73.0164 NA KEGG NA NA +C15810 C15810 C2H3NO2 73.0164 NA KEGG NA NA +C15811 [Enzyme]-cysteine C4H6N2O2SR2 73.0164 NA KEGG NA NA +C15812 [Enzyme]-S-sulfanylcysteine C4H6N2O2S2R2 73.0164 NA KEGG NA NA +C15813 C15813 C4H6N2O2S2R2 73.0164 NA KEGG NA NA +C15814 C15814 C4H6N2O2S2R2 73.0164 NA KEGG NA NA +C15815 C15815 C4H6N2O2S2R2 73.0164 NA KEGG NA NA +EUR213 Cysteine F3 F3 73.021875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR213 Cysteine F3 NA 73.021875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR213 Cysteine F3 F3 73.021875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR213 Cysteine F3 NA 73.021875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR213 Cysteine F3 F3 73.021875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR213 Cysteine F3 NA 73.021875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR213 Cysteine F3 F3 73.021875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR213 Cystéine F3 F3 73.021875 standards wishlist analysés sur QTOF HMDB NA NA +EUR213 Cysteine F3 F3 73.021875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR213 Cysteine F3 NA 73.021875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR213 Cysteine F3 F3 73.021875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR213 Cysteine F3 F3 73.021875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +7598 ACE inhibitor GA 73.029 MH2+ Inhouse_peptide NA peptide +7600 ACE inhibitor AG 73.029 MH2+ Inhouse_peptide NA peptide +HMDB00641 L-Glutamine C5H10N2O3 73.034569 MH2+ Inhouse_peptide NA peptide +HMDB02134 Aminoacetone C3H7NO 73.05276 http://www.hmdb.ca/metabolites/HMDB02134 PFEM_hmdb_metabocards_urine NA urine +HMDB02134 Aminoacetone C3H7NO 73.05276 http://www.hmdb.ca/metabolites/HMDB02134 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02134 Aminoacetone C3H7NO 73.05276 http://www.hmdb.ca/metabolites/HMDB02134 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02134 Aminoacetone C3H7NO 73.05276 http://www.hmdb.ca/metabolites/HMDB02134 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01106 3-Aminopropionaldehyde C3H7NO 73.05276 http://www.hmdb.ca/metabolites/HMDB01106 HMDB NA NA +HMDB01888 N,N-Dimethylformamide C3H7NO 73.05276 http://www.hmdb.ca/metabolites/HMDB01888 HMDB NA NA +HMDB02134 Aminoacetone C3H7NO 73.05276 http://www.hmdb.ca/metabolites/HMDB02134 HMDB NA NA +HMDB02134 Aminoacetone C3H7NO 73.05276 http://www.hmdb.ca/metabolites/HMDB02134 PFEM_hmdb_metabocards_blood NA blood +HMDB01106 3-Aminopropionaldehyde C3H7NO 73.05276 HMDB01106 PFEM_hmdb_metabocards_official NA NA +HMDB01888 N,N-Dimethylformamide C3H7NO 73.05276 HMDB01888 PFEM_hmdb_metabocards_official NA NA +HMDB02134 Aminoacetone C3H7NO 73.05276 HMDB02134 PFEM_hmdb_metabocards_official NA NA +MJ000134 Aminoacetone C3H7NO 73.052763 NA MeJP NA NA +MJ000135 beta-Aminopropion aldehyde C3H7NO 73.052763 NA MeJP NA NA +MJ000136 1-Amino-2-propanone C3H7NO 73.052763 NA MeJP NA NA +MJ000137 Dimethylformamide C3H7NO 73.052763 NA MeJP NA NA +MetaCyc00126 propionamide [propanamide;propanimidic acid;propionic acid;propionic acid amide;propionic amide;propionimidic acid;propylamide;] C3H7N1O1 73.052764 NA metacyc NA NA +MetaCyc00127 3-aminopropionaldehyde [3-APA;] C3H7N1O1 73.052764 NA metacyc NA NA +MetaCyc00128 N,N-Dimethylformamide [N,N-Dimethylmethanamide;DMF;] C3H7N1O1 73.052764 68-12-2 metacyc NA NA +MetaCyc00129 aminoacetone [] C3H7N1O1 73.052764 298-08-8 metacyc NA NA +MetaCyc00130 acetone-oxime [] C3H7N1O1 73.052764 127-06-0 metacyc NA NA +MetaCyc00131 3-amino-propanal [] C3H7N1O1 73.052764 NA metacyc NA NA +HMDB01106 3-Aminopropionaldehyde C3H7NO 73.052765 NA HMDB2010 NA NA +HMDB01888 N,N-Dimethylformamide C3H7NO 73.052765 NA HMDB2010 NA NA +HMDB02134 Aminoacetone C3H7NO 73.052765 NA HMDB2010 NA NA +HMDB00182 L-Lysine C6H14N2O2 73.052765 MH2+ Inhouse_peptide NA peptide +C01888 Aminoacetone C3H7NO 73.0528 NA KEGG NA NA +C01889 Arabinoxylan C3H7NO 73.0528 NA KEGG NA NA +C01890 Arylalkylamine NH2R 73.0528 NA KEGG NA NA +C01995 Acetone oxime C3H7NO 73.0528 NA KEGG NA NA +C03134 N,N-Dimethylformamide C3H7NO 73.0528 NA KEGG NA NA +C03135 N-Acetyl-D-amino acid C4H6NO3R 73.0528 NA KEGG NA NA +C05665 3-Aminopropanal C3H7NO 73.0528 NA KEGG NA NA +EUR226 Threonin F4 F4 73.056475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR226 Threonine F4 NA 73.056475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR226 Threonin F4 F4 73.056475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR226 Threonine F4 NA 73.056475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR226 Threonin F4 F4 73.056475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR226 Threonine F4 NA 73.056475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR226 Threonin F4 F4 73.056475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR226 Thréonin F4 F4 73.056475 standards wishlist analysés sur QTOF HMDB NA NA +EUR226 Threonin F4 F4 73.056475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR226 Threonine F4 NA 73.056475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR226 Threonin F4 F4 73.056475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR226 Threonin F4 F4 73.056475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB01161 4-Trimethylammoniobutanoic acid C7H16NO2 73.0590515 MH2+ Inhouse_peptide NA peptide +HMDB01522 Methylguanidine C2H7N3 73.063995 NA HMDB2010 NA NA +MetaCyc00132 methylguanidine [] C2H7N3 73.063997 471-29-4 metacyc NA NA +HMDB01522 Methylguanidine C2H7N3 73.064 http://www.hmdb.ca/metabolites/HMDB01522 PFEM_hmdb_metabocards_urine NA urine +HMDB01522 Methylguanidine C2H7N3 73.064 http://www.hmdb.ca/metabolites/HMDB01522 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01522 Methylguanidine C2H7N3 73.064 http://www.hmdb.ca/metabolites/HMDB01522 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01522 Methylguanidine C2H7N3 73.064 http://www.hmdb.ca/metabolites/HMDB01522 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01522 Methylguanidine C2H7N3 73.064 http://www.hmdb.ca/metabolites/HMDB01522 HMDB NA NA +C02294 Methylguanidine C2H7N3 73.064 NA KEGG NA NA +HMDB01522 Methylguanidine C2H7N3 73.064 http://www.hmdb.ca/metabolites/HMDB01522 PFEM_hmdb_metabocards_blood NA blood +HMDB01522 Methylguanidine C2H7N3 73.064 HMDB01522 PFEM_hmdb_metabocards_official NA NA +C02787 2-Methylpropanamine C4H11N 73.0891 NA KEGG NA NA +C02789 3'-Extranucleotides C10H17O10PR2 73.0891 NA KEGG NA NA +C02790 3'-Hydroxyflavonoid C10H17O10PR2 73.0891 NA KEGG NA NA +MJ000138 1-Butylamine C4H11N 73.089149 NA MeJP NA NA +MJ000139 2-Methyl-1-propylamine C4H11N 73.089149 NA MeJP NA NA +MJ000140 Tetramethylammonium(1+) C4H12N(+) 73.089149 NA MeJP NA NA +MetaCyc00133 diethylamine [] C4H11N1 73.089149 109-89-7 metacyc NA NA +MetaCyc00134 2-methylpropanamine [2-Methyl-1-propanamine;Isobutylamine;] C4H11N1 73.089149 78-81-9 metacyc NA NA +MetaCyc00135 butylamine [N-butylamine;1-butylamine;butylamine;butanamine;1-butanamine;] C4H11N1 73.089149 109-73-9 metacyc NA NA +MetaCyc00136 sec-butylamine [2-aminobutane;2-aminobutane base;2-butanamine;2-butylamine;butafume;deccotane;butanamine;frucote;methylpropylamine;] C4H11N1 73.089149 13952-84-6 metacyc NA NA +HMDB00148 L-Glutamic acid C5H9NO4 73.526581 MH2+ Inhouse_peptide NA peptide +HMDB03339 D-Glutamic acid C5H9NO4 73.526581 MH2+ Inhouse_peptide NA peptide +HMDB02501 Germanium Ge 73.92118 http://www.hmdb.ca/metabolites/HMDB02501 HMDB NA NA +HMDB02501 Germanium Ge 73.92118 HMDB02501 PFEM_hmdb_metabocards_official NA NA +HMDB02501 Germanium [Ge]4+ 73.921181 NA HMDB2010 NA NA +C15472 Germanium Ge 73.9212 NA KEGG NA NA +MJ000141 Potassium chloride ClK 73.932559 NA MeJP NA NA +MetaCyc00137 KCl [potassium chloride;] CL1K1 73.93256 NA metacyc NA NA +MJ000142 Sodium hypochlorite ClNaO 73.953537 NA MeJP NA NA +MJ000143 Calcium hydroxide CaH2O2 73.96807 NA MeJP NA NA +C12277 Calcium hydroxide CaH2O2 73.9681 NA KEGG NA NA +HMDB00119 Glyoxylic acid C2H2O3 74.00039 http://www.hmdb.ca/metabolites/HMDB00119 PFEM_hmdb_metabocards_urine NA urine +HMDB00119 Glyoxylic acid C2H2O3 74.00039 http://www.hmdb.ca/metabolites/HMDB00119 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00119 Glyoxylic acid C2H2O3 74.00039 http://www.hmdb.ca/metabolites/HMDB00119 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00119 Glyoxylic acid C2H2O3 74.00039 http://www.hmdb.ca/metabolites/HMDB00119 HMDB NA NA +HMDB00119 Glyoxylic acid C2H2O3 74.00039 HMDB00119 PFEM_hmdb_metabocards_official NA NA +MJ000144 Glyoxylate C2H2O3 74.000393 NA MeJP NA NA +MJ000145 Glyoxylic acid C2H2O3 74.000393 NA MeJP NA NA +MetaCyc00138 glyoxylate [glyoxalate;glyox;glyoxylic acid;] C2H2O3 74.000394 298-12-4 metacyc NA NA +HMDB00119 Glyoxylic acid C2H2O3 74.000397 NA HMDB2010 NA NA +C00048 Glyoxylate C2H2O3 74.0004 NA KEGG NA NA +C08463 Triacetylene C6H2 74.0156 NA KEGG NA NA +MJ000146 1,3,5-Hexatriyne C6H2 74.01565 NA MeJP NA NA +MJ000147 Lithium carbonate CLi2O3 74.016751 NA MeJP NA NA +C07964 Lithium carbonate CO3 74.0168 NA KEGG NA NA +C18091 Ethylnitronate C2H4NO2 74.0242 NA KEGG NA NA +MJ000148 1-Hydroxy-2-propanone C3H6O2 74.036779 NA MeJP NA NA +MJ000149 Ethyl formate C3H6O2 74.036779 NA MeJP NA NA +MJ000150 Methyl acetate C3H6O2 74.036779 NA MeJP NA NA +MJ000151 Propanoic acid C3H6O2 74.036779 NA MeJP NA NA +MJ000152 (R)-Lactaldehyde C3H6O2 74.036779 NA MeJP NA NA +MJ000153 (S)-Lactaldehyde C3H6O2 74.036779 NA MeJP NA NA +MJ000154 3-Hydroxypropanal C3H6O2 74.036779 NA MeJP NA NA +MJ000155 Hydroxyacetone C3H6O2 74.036779 NA MeJP NA NA +MJ000156 Lactaldehyde C3H6O2 74.036779 NA MeJP NA NA +MJ000157 Propanoate C3H6O2 74.036779 NA MeJP NA NA +MetaCyc00139 propionate [propionic acid;ethylformic acid;methylacetic acid;propanoate;] C3H6O2 74.036779 79-09-4 metacyc NA NA +MetaCyc00140 methylacetate [] C3H6O2 74.036779 79-20-9 metacyc NA NA +MetaCyc00141 lactaldehyde [(S)-lactaldehyde;L-lactaldehyde;lactald;] C3H6O2 74.036779 598-35-6 metacyc NA NA +MetaCyc00142 3-hydroxypropionaldehyde [hydroxypropionaldehyde;3-hydroxypropanal;] C3H6O2 74.036779 NA metacyc NA NA +MetaCyc00143 (R)-Lactaldehyde [D-Lactaldehyde;D-2-Hydroxy-propionaldehyde;] C3H6O2 74.036779 NA metacyc NA NA +MetaCyc00144 acetol [hydroxyacetone;acetylmethanol;1-hydroxyacetone;] C3H6O2 74.036779 NA metacyc NA NA +HMDB00237 Propionic acid C3H6O2 74.03678 http://www.hmdb.ca/metabolites/HMDB00237 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00237 Propionic acid C3H6O2 74.03678 http://www.hmdb.ca/metabolites/HMDB00237 HMDB NA NA +HMDB03052 Lactaldehyde C3H6O2 74.03678 http://www.hmdb.ca/metabolites/HMDB03052 HMDB NA NA +HMDB03453 3-Hydroxypropanal C3H6O2 74.03678 http://www.hmdb.ca/metabolites/HMDB03453 HMDB NA NA +HMDB06458 D-Lactaldehyde C3H6O2 74.03678 http://www.hmdb.ca/metabolites/HMDB06458 HMDB NA NA +HMDB00237 Propionic acid C3H6O2 74.03678 http://www.hmdb.ca/metabolites/HMDB00237 PFEM_hmdb_metabocards_blood NA blood +HMDB00237 Propionic acid C3H6O2 74.03678 HMDB00237 PFEM_hmdb_metabocards_official NA NA +HMDB03052 Lactaldehyde C3H6O2 74.03678 HMDB03052 PFEM_hmdb_metabocards_official NA NA +HMDB03453 3-Hydroxypropanal C3H6O2 74.03678 HMDB03453 PFEM_hmdb_metabocards_official NA NA +HMDB06458 D-Lactaldehyde C3H6O2 74.03678 HMDB06458 PFEM_hmdb_metabocards_official NA NA +LABER047 propionic NA 74.036781 NA PFEM_hmdb_metabocards_urine NA urine +LABER047 propionic NA 74.036781 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER047 propionic NA 74.036781 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER047 propionic NA 74.036781 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER047 propionic NA 74.036781 NA HMDB NA NA +HMDB00237 Propionic acid C3H6O2 74.036781 NA HMDB2010 NA NA +HMDB03052 Lactaldehyde C3H6O2 74.036781 NA HMDB2010 NA NA +HMDB03453 3-Hydroxypropanal C3H6O2 74.036781 NA HMDB2010 NA NA +HMDB06458 D-Lactaldehyde C3H6O2 74.036781 NA HMDB2010 NA NA +HMDB06961 Hydroxyacetone C3H6O2 74.036781 NA HMDB2010 NA NA +LABER047 propionic NA 74.036781 NA Inhouse_PFEM NA NA +LABER047 propionic NA 74.036781 NA Inhousejuil11 NA NA +LABER047 propionic NA 74.036781 NA PFEM_hmdb_metabocards_blood NA blood +LABER047 propionic NA 74.036781 NA PFEM_hmdb_metabocards_official NA NA +C00163 Propanoate C3H6O2 74.0368 NA KEGG NA NA +C00424 (S)-Lactaldehyde C3H6O2 74.0368 NA KEGG NA NA +C00426 Dermatan sulfate C3H6O2 74.0368 NA KEGG NA NA +C00937 (R)-Lactaldehyde C3H6O2 74.0368 NA KEGG NA NA +C00938 1,3-beta-D-Xylan C3H6O2 74.0368 NA KEGG NA NA +C00969 3-Hydroxypropanal C3H6O2 74.0368 NA KEGG NA NA +C05235 Hydroxyacetone C3H6O2 74.0368 NA KEGG NA NA +C05236 5-Methyltetrahydropteroyl-L-glutamate C3H6O2 74.0368 NA KEGG NA NA +C05237 Tetrahydropteroyl-L-glutamate C3H6O2 74.0368 NA KEGG NA NA +C05999 Lactaldehyde C3H6O2 74.0368 NA KEGG NA NA +C10920 Glycidol C3H6O2 74.0368 NA KEGG NA NA +C17530 Methyl acetate C3H6O2 74.0368 NA KEGG NA NA +C07447 Acetylhydrazine C2H6N2O 74.048 NA KEGG NA NA +C14704 N-Nitrosodimethylamine C2H6N2O 74.048 NA KEGG NA NA +C16363 N-Methylurea C2H6N2O 74.048 NA KEGG NA NA +MetaCyc00145 glycinamide [] C2H6N2O1 74.048013 598-41-4 metacyc NA NA +MetaCyc00146 glycinamide [glycine amide;2-aminoacetamide;] C2H6N2O1 74.048013 NA metacyc NA NA +MJ000158 Hydrazinecarboximidamide CH6N4 74.059246 NA MeJP NA NA +HMDB04327 Butanol C4H10O 74.07316 http://www.hmdb.ca/metabolites/HMDB04327 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04327 Butanol C4H10O 74.07316 http://www.hmdb.ca/metabolites/HMDB04327 HMDB NA NA +HMDB06006 Isobutanol C4H10O 74.07316 http://www.hmdb.ca/metabolites/HMDB06006 HMDB NA NA +HMDB04327 Butanol C4H10O 74.07316 http://www.hmdb.ca/metabolites/HMDB04327 PFEM_hmdb_metabocards_blood NA blood +HMDB04327 Butanol C4H10O 74.07316 HMDB04327 PFEM_hmdb_metabocards_official NA NA +HMDB06006 Isobutanol C4H10O 74.07316 HMDB06006 PFEM_hmdb_metabocards_official NA NA +MJ000159 1-Butanol C4H10O 74.073164 NA MeJP NA NA +MJ000160 1-Methoxypropane C4H10O 74.073164 NA MeJP NA NA +MJ000161 2-Butanol C4H10O 74.073164 NA MeJP NA NA +MJ000162 2-Methyl-1-propanol C4H10O 74.073164 NA MeJP NA NA +MJ000163 Diethyl ether C4H10O 74.073164 NA MeJP NA NA +MetaCyc00147 isobutanol [butanol;] C4H10O1 74.073165 NA metacyc NA NA +MetaCyc00148 diethylether [ether;] C4H10O1 74.073165 NA metacyc NA NA +MetaCyc00149 2-butanol [sec-butyl alcohol;butylene hydrate;methyl ethyl carbinol;2-hydroxybutane;] C4H10O1 74.073165 NA metacyc NA NA +MetaCyc00150 n-butanol [n-butyl alcohol;1-butanol;butanol;1-hydroxybutane;] C4H10O1 74.073165 71-36-3 metacyc NA NA +HMDB04327 1-Butanol C4H10O 74.073166 NA HMDB2010 NA NA +HMDB06006 Isobutanol C4H10O 74.073166 NA HMDB2010 NA NA +HMDB11469 2-Butanol C4H10O 74.073166 NA HMDB2010 NA NA +C06142 1-Butanol C4H10O 74.0732 NA KEGG NA NA +C06143 Poly-beta-hydroxybutyrate C4H10O 74.0732 NA KEGG NA NA +C13240 Ether C4H10O 74.0732 NA KEGG NA NA +C13241 Transferred to D01773 C4H10O 74.0732 NA KEGG NA NA +C13242 Transferred to D01774 C4H10O 74.0732 NA KEGG NA NA +C13243 Transferred to D01775 C4H10O 74.0732 NA KEGG NA NA +C13244 Transferred to D01776 C4H10O 74.0732 NA KEGG NA NA +C13245 Transferred to D00161 C4H10O 74.0732 NA KEGG NA NA +C13246 Transferred to D01778 C4H10O 74.0732 NA KEGG NA NA +C13247 Transferred to D01779 C4H10O 74.0732 NA KEGG NA NA +C13248 Transferred to D01780 C4H10O 74.0732 NA KEGG NA NA +C13249 Transferred to D01781 C4H10O 74.0732 NA KEGG NA NA +C13250 Transferred to D01782 C4H10O 74.0732 NA KEGG NA NA +C13251 Transferred to D01783 C4H10O 74.0732 NA KEGG NA NA +C13252 Transferred to D01784 C4H10O 74.0732 NA KEGG NA NA +C13253 Transferred to D01785 C4H10O 74.0732 NA KEGG NA NA +C14710 Isobutyl alcohol C4H10O 74.0732 NA KEGG NA NA +HMDB00002 1,3-Diaminopropane C3H10N2 74.084396 NA HMDB2010 NA NA +HMDB13136 1,2 Diaminopropane C3H10N2 74.084396 NA HMDB2010 NA NA +MJ000164 1,3-Diaminopropane C3H10N2 74.084398 NA MeJP NA NA +MetaCyc00151 1,3-diaminopropane [Trimethylenediamine;1,3-Propanediamine;Propane-1,3-diamine;1,3-DAP;] C3H10N2 74.084398 109-76-2 metacyc NA NA +HMDB00002 1,3-Diaminopropane C3H10N2 74.0844 http://www.hmdb.ca/metabolites/HMDB00002 PFEM_hmdb_metabocards_urine NA urine +HMDB00002 1,3-Diaminopropane C3H10N2 74.0844 http://www.hmdb.ca/metabolites/HMDB00002 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00002 1,3-Diaminopropane C3H10N2 74.0844 http://www.hmdb.ca/metabolites/HMDB00002 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00002 1,3-Diaminopropane C3H10N2 74.0844 http://www.hmdb.ca/metabolites/HMDB00002 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00002 1,3-Diaminopropane C3H10N2 74.0844 http://www.hmdb.ca/metabolites/HMDB00002 HMDB NA NA +C00986 1,3-Diaminopropane C3H10N2 74.0844 NA KEGG NA NA +HMDB00002 1,3-Diaminopropane C3H10N2 74.0844 http://www.hmdb.ca/metabolites/HMDB00002 PFEM_hmdb_metabocards_blood NA blood +HMDB00002 1,3-Diaminopropane C3H10N2 74.0844 HMDB00002 PFEM_hmdb_metabocards_official NA NA +MetaCyc00152 tetramethylammonium [tetramethylazanium;trimethylaminomethane;artilacer;yodurtan;banikol;] C4H12N1 74.096974 NA metacyc NA NA +HMDB00696 L-Methionine C5H11NO2S 74.525528 MH2+ Inhouse_peptide NA peptide +MetaCyc00153 As+5 [arsenic ion;] AS1 74.921596 NA metacyc NA NA +HMDB02290 Arsenic As 74.9216 http://www.hmdb.ca/metabolites/HMDB02290 PFEM_hmdb_metabocards_urine NA urine +HMDB02290 Arsenic As 74.9216 http://www.hmdb.ca/metabolites/HMDB02290 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02290 Arsenic As 74.9216 http://www.hmdb.ca/metabolites/HMDB02290 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02290 Arsenic As 74.9216 http://www.hmdb.ca/metabolites/HMDB02290 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02290 Arsenic As 74.9216 http://www.hmdb.ca/metabolites/HMDB02290 HMDB NA NA +HMDB02290 Arsenic As 74.9216 http://www.hmdb.ca/metabolites/HMDB02290 PFEM_hmdb_metabocards_blood NA blood +HMDB02290 Arsenic As 74.9216 HMDB02290 PFEM_hmdb_metabocards_official NA NA +HMDB02290 Arsenic [As]3+ 74.9216 NA HMDB2010 NA NA +EUR024 Glycine C2H5NO2 75.032 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR024 Glycine C2H5NO2 75.032 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR024 Glycine C2H5NO2 75.032 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR024 Glycine C2H5NO2 75.032 Wishlist Inhousejuil11 NA NA +C00037 Glycine C2H5NO2 75.032 NA KEGG NA NA +C01837 Nitroethane C2H5NO2 75.032 NA KEGG NA NA +C06808 Acetohydroxamic acid C2H5NO2 75.032 NA KEGG NA NA +PJ000001 G C2H5NO2 75.032 NA PeJP NA NA +HMDB00123 Glycine C2H5NO2 75.032028 NA HMDB2010 NA NA +MJ000165 Glycine C2H5NO2 75.032028 NA MeJP NA NA +MJ000166 N-Hydroxyacetamide C2H5NO2 75.032028 NA MeJP NA NA +MJ000167 Glycine C2H5NO2 75.032028 NA MeJP NA NA +MetaCyc00154 nitroethane [] C2H5N1O2 75.032028 79-24-3 metacyc NA NA +MetaCyc00155 glycine [G;aminoacetic acid;gly;] C2H5N1O2 75.032028 56-40-6 metacyc NA NA +HMDB00123 Glycine C2H5NO2 75.03203 http://www.hmdb.ca/metabolites/HMDB00123 PFEM_hmdb_metabocards_urine NA urine +LABER007 Glycine C2H5NO2 75.03203 RT 1.95 fragt 76, 30, 43, 44 PFEM_hmdb_metabocards_urine NA urine +LABER007 Glycine C2H5NO2 75.03203 RT 1.95 fragt 76, 30, 43, 44 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00123 Glycine C2H5NO2 75.03203 http://www.hmdb.ca/metabolites/HMDB00123 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER007 Glycine C2H5NO2 75.03203 RT 1.95 fragt 76, 30, 43, 44 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00123 Glycine C2H5NO2 75.03203 http://www.hmdb.ca/metabolites/HMDB00123 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER007 Glycine C2H5NO2 75.03203 RT 1.95 fragt 76, 30, 43, 44 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00123 Glycine C2H5NO2 75.03203 http://www.hmdb.ca/metabolites/HMDB00123 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00123 Glycine C2H5NO2 75.03203 http://www.hmdb.ca/metabolites/HMDB00123 HMDB NA NA +LABER007 Glycine C2H5NO2 75.03203 RT 1.95 fragt 76, 30, 43, 44 HMDB NA NA +HMDB00123 Glycine C2H5NO2 75.03203 NA ;SYN:(2S)-2-Amino-3-methylbutanoate; (2S)-2-Amino-3-methylbutanoic acid; (S)-2-Amino-3-methylbutanoate; (S)-2-Amino-3-methylbutanoic acid; (S)-2-Amino-3-methylbutyrate; (S)-2-Amino-3-methylbutyric acid; (S)-2-amino-3-methyl-Butanoate; (S)-2-amino-3-methyl-Butanoic acid; (S)-Valine; (S)-a-Amino-b-methylbutyrate; (S)-a-Amino-b-methylbutyric acid; 2-Amino-3-methylbutanoate; 2-Amino-3-methylbutanoic acid; 2-Amino-3-methylbutyrate; 2-Amino-3-methylbutyric acid; L-(+)-a-Aminoisovalerate; L-(+)-a-Aminoisovaleric acid; L-a-Amino-b-methylbutyrate; L-a-Amino-b-methylbutyric acid; L-valine; valine; (S)-alpha-Amino-beta-methylbutyrate; (S)-alpha-Amino-beta-methylbutyric acid; L-(+)-alpha-Aminoisovalerate; L-(+)-alpha-Aminoisovaleric acid; L-alpha-Amino-beta-methylbutyrate; L-alpha-Amino-beta-methylbutyric acidH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +LABER007 Glycine C2H5NO2 75.03203 RT 1.95 fragt 76, 30, 43, 44 Inhouse_PFEM NA NA +LABER007 Glycine C2H5NO2 75.03203 RT 1.95 fragt 76, 30, 43, 44 Inhousejuil11 NA NA +HMDB00123 Glycine C2H5NO2 75.03203 http://www.hmdb.ca/metabolites/HMDB00123 PFEM_hmdb_metabocards_blood NA blood +LABER007 Glycine C2H5NO2 75.03203 RT 1.95 fragt 76, 30, 43, 44 PFEM_hmdb_metabocards_blood NA blood +LABER007 Glycine C2H5NO2 75.03203 RT 1.95 fragt 76, 30, 43, 44 PFEM_hmdb_metabocards_official NA NA +HMDB00123 Glycine C2H5NO2 75.03203 HMDB00123 PFEM_hmdb_metabocards_official NA NA +EUR431 glycine F1 C2H5NO2 75.037975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR431 glycine F1 NA 75.037975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR431 glycine F1 C2H5NO2 75.037975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR431 glycine F1 NA 75.037975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR431 glycine F1 C2H5NO2 75.037975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR431 glycine F1 NA 75.037975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR431 glycine F1 C2H5NO2 75.037975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR431 glycine F1 C2H5NO2 75.037975 standards wishlist analysés sur QTOF HMDB NA NA +EUR431 glycine F1 C2H5NO2 75.037975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR431 glycine F1 NA 75.037975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR431 glycine F1 C2H5NO2 75.037975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR431 glycine F1 C2H5NO2 75.037975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MetaCyc00156 semicarbazide [Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide;] C1H5N3O1 75.043262 NA metacyc NA NA +C02077 Semicarbazide CH5N3O 75.0433 NA KEGG NA NA +C01104 Trimethylamine N-oxide C3H9NO 75.0684 NA KEGG NA NA +C03194 (R)-1-Aminopropan-2-ol C3H9NO 75.0684 NA KEGG NA NA +C05771 1-Aminopropan-2-ol C3H9NO 75.0684 NA KEGG NA NA +HMDB00925 Trimethylamine oxide C3H9NO 75.06841 http://www.hmdb.ca/metabolites/HMDB00925 PFEM_hmdb_metabocards_urine NA urine +HMDB00925 Trimethylamine oxide C3H9NO 75.06841 http://www.hmdb.ca/metabolites/HMDB00925 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00925 Trimethylamine oxide C3H9NO 75.06841 http://www.hmdb.ca/metabolites/HMDB00925 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00925 Trimethylamine oxide C3H9NO 75.06841 http://www.hmdb.ca/metabolites/HMDB00925 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00925 Trimethylamine oxide C3H9NO 75.06841 http://www.hmdb.ca/metabolites/HMDB00925 HMDB NA NA +HMDB00925 Trimethylamine oxide C3H9NO 75.06841 http://www.hmdb.ca/metabolites/HMDB00925 PFEM_hmdb_metabocards_blood NA blood +HMDB00925 Trimethylamine oxide C3H9NO 75.06841 HMDB00925 PFEM_hmdb_metabocards_official NA NA +LABER024 Trimethylamine-N-oxide NA 75.068413 RT 1.90; 2.45 fragt PFEM_hmdb_metabocards_urine NA urine +LABER024 Trimethylamine-N-oxide NA 75.068413 RT 1.90; 2.45 fragt BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER024 Trimethylamine-N-oxide NA 75.068413 RT 1.90; 2.45 fragt Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER024 Trimethylamine-N-oxide NA 75.068413 RT 1.90; 2.45 fragt banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER024 Trimethylamine-N-oxide NA 75.068413 RT 1.90; 2.45 fragt HMDB NA NA +HMDB00925 Trimethylamine N-oxide C3H9NO 75.068413 NA HMDB2010 NA NA +HMDB12136 1-Amino-propan-2-ol C3H9NO 75.068413 NA HMDB2010 NA NA +LABER024 Trimethylamine-N-oxide NA 75.068413 RT 1.90; 2.45 fragt Inhouse_PFEM NA NA +LABER024 Trimethylamine-N-oxide NA 75.068413 RT 1.90; 2.45 fragt Inhousejuil11 NA NA +MJ000168 2-Aminoethanol; N-Me C3H9NO 75.068413 NA MeJP NA NA +MJ000169 Trimethylamine oxide C3H9NO 75.068413 NA MeJP NA NA +MJ000170 (R)-1-Aminopropan-2-ol C3H9NO 75.068413 NA MeJP NA NA +MJ000171 1-Aminopropan-2-ol C3H9NO 75.068413 NA MeJP NA NA +MJ000172 Trimethylamine N-oxide C3H9NO 75.068413 NA MeJP NA NA +LABER024 Trimethylamine-N-oxide NA 75.068413 RT 1.90; 2.45 fragt PFEM_hmdb_metabocards_blood NA blood +LABER024 Trimethylamine-N-oxide NA 75.068413 RT 1.90; 2.45 fragt PFEM_hmdb_metabocards_official NA NA +MetaCyc00157 trimethylamine-N-oxide [] C3H9N1O1 75.068414 1184-78-7 metacyc NA NA +MetaCyc00158 N-monomethylethanolamine [] C3H9N1O1 75.068414 NA metacyc NA NA +MetaCyc00159 trimethylamine oxide [CH33NO;] C3H9N1O1 75.068414 1184-78-7 metacyc NA NA +MetaCyc00160 2-methoxyethylamine [2-methoxyethanamine;] C3H9N1O1 75.068414 NA metacyc NA NA +MetaCyc00161 1-amino-propan-2-ol [(R)-1-aminopropan-2-ol;D-1-amino-2-propanol;D-1-aminopropan-2-ol;] C3H9N1O1 75.068414 78-96-6 metacyc NA NA +MJ000173 Carbon disulfide CS2 75.944141 NA MeJP NA NA +MetaCyc00162 carbon disulfide [CS2;] C1S2 75.944141 NA metacyc NA NA +MetaCyc00163 thioacetate [Thioacetic acid;] C2H4O1S1 75.998285 507-09-5 metacyc NA NA +C01857 Thioacetate C2H4OS 75.9983 NA KEGG NA NA +HMDB00996 3-Sulfinoalanine C3H6NO4S 76.0008775 MH2+ Inhouse_peptide NA peptide +C14415 Thiourea CH4N2S 76.0095 NA KEGG NA NA +MetaCyc00164 thiourea [2-thiopseudourea;2-thiourea;pseudothiourea;sulfourea;THU;thiocarbamide;thiocarbonic acid diamide;β-thiopseudourea;] C1H4N2S1 76.009519 NA metacyc NA NA +C00160 Glycolate C2H4O3 76.016 NA KEGG NA NA +C00161 2-Oxo acid C2HO3R 76.016 NA KEGG NA NA +C00162 Fatty acid CHO2R 76.016 NA KEGG NA NA +HMDB00115 Glycolic acid C2H4O3 76.01604 http://www.hmdb.ca/metabolites/HMDB00115 PFEM_hmdb_metabocards_urine NA urine +HMDB00115 Glycolic acid C2H4O3 76.01604 http://www.hmdb.ca/metabolites/HMDB00115 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00115 Glycolic acid C2H4O3 76.01604 http://www.hmdb.ca/metabolites/HMDB00115 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00115 Glycolic acid C2H4O3 76.01604 http://www.hmdb.ca/metabolites/HMDB00115 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00115 Glycolic acid C2H4O3 76.01604 http://www.hmdb.ca/metabolites/HMDB00115 HMDB NA NA +HMDB00115 Glycolic acid C2H4O3 76.01604 http://www.hmdb.ca/metabolites/HMDB00115 PFEM_hmdb_metabocards_blood NA blood +HMDB00115 Glycolic acid C2H4O3 76.01604 HMDB00115 PFEM_hmdb_metabocards_official NA NA +MJ000174 Glycolate C2H4O3 76.016043 NA MeJP NA NA +MJ000175 Hydroxyacetic acid C2H4O3 76.016043 NA MeJP NA NA +MetaCyc00165 glycolate [hydroxyacetic acid;glycolic acid;] C2H4O3 76.016044 79-14-1 metacyc NA NA +LABER036 Glycolic NA 76.016045 NA PFEM_hmdb_metabocards_urine NA urine +LABER036 Glycolic NA 76.016045 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER036 Glycolic NA 76.016045 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER036 Glycolic NA 76.016045 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER036 Glycolic NA 76.016045 NA HMDB NA NA +HMDB00115 Glycolic acid C2H4O3 76.016045 NA HMDB2010 NA NA +LABER036 Glycolic NA 76.016045 NA Inhouse_PFEM NA NA +LABER036 Glycolic NA 76.016045 NA Inhousejuil11 NA NA +LABER036 Glycolic NA 76.016045 NA PFEM_hmdb_metabocards_blood NA blood +LABER036 Glycolic NA 76.016045 NA PFEM_hmdb_metabocards_official NA NA +CJneg0004 Threonic acid / Erythronic acid [(M-H)-(C2H4O2)]- C2H3O3 76.016625 C18rt(min)=0.85 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0005 Glyceric acid [(M-H)-(CH2O)]- C2H3O3 76.016625 C18rt(min)=0.92 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0004 Threonic acid / Erythronic acid [(M-H)-(C2H4O2)]- C2H3O3 76.016625 C18rt(min)=0.85 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0005 Glyceric acid [(M-H)-(CH2O)]- C2H3O3 76.016625 C18rt(min)=0.92 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ000176 Hydroxyurea CH4N2O2 76.027277 NA MeJP NA NA +MetaCyc00166 hydroxy-urea [hydroxycarbamide;hydrea;oncocarbide;hydroxyurea;carbamide oxide;] C1H4N2O2 76.027277 127-07-1 metacyc NA NA +C07044 Hydroxyurea CH4N2O2 76.0273 NA KEGG NA NA +MJ000177 1-Fluoro-2-propanone C3H5FO 76.032442 NA MeJP NA NA +C08390 Propane-1-thiol C3H8S 76.0347 NA KEGG NA NA +C08391 Propane-2-thiol C3H8S 76.0347 NA KEGG NA NA +C00583 Propane-1,2-diol C3H8O2 76.0524 NA KEGG NA NA +C02457 Propane-1,3-diol C3H8O2 76.0524 NA KEGG NA NA +C02461 Protein Cys-Cys C7H11N3O3S2R2 76.0524 NA KEGG NA NA +C02912 (R)-Propane-1,2-diol C3H8O2 76.0524 NA KEGG NA NA +C02917 (S)-Propane-1,2-diol C3H8O2 76.0524 NA KEGG NA NA +HMDB01881 Propylene glycol C3H8O2 76.052429 NA HMDB2010 NA NA +HMDB06213 (S)-Propane-1,2-diol C3H8O2 76.052429 NA HMDB2010 NA NA +MJ000178 Propane-1,2-diol C3H8O2 76.052429 NA MeJP NA NA +MJ000179 Propane-1,3-diol C3H8O2 76.052429 NA MeJP NA NA +MJ000180 1,2-Propanediol C3H8O2 76.052429 NA MeJP NA NA +HMDB01881 Propylene glycol C3H8O2 76.05243 http://www.hmdb.ca/metabolites/HMDB01881 PFEM_hmdb_metabocards_urine NA urine +HMDB01881 Propylene glycol C3H8O2 76.05243 http://www.hmdb.ca/metabolites/HMDB01881 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01881 Propylene glycol C3H8O2 76.05243 http://www.hmdb.ca/metabolites/HMDB01881 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01881 Propylene glycol C3H8O2 76.05243 http://www.hmdb.ca/metabolites/HMDB01881 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01881 Propylene glycol C3H8O2 76.05243 http://www.hmdb.ca/metabolites/HMDB01881 HMDB NA NA +HMDB06213 (S)-Propane-1,2-diol C3H8O2 76.05243 http://www.hmdb.ca/metabolites/HMDB06213 HMDB NA NA +MetaCyc00167 propane-1,2-diol [propanediol;1,2-propane-diol;L-1,2-propanediol;propylene glycol;1,2-propanediol;1,2-dihydroxypropane;] C3H8O2 76.05243 57-55-6 metacyc NA NA +MetaCyc00168 1,3-propanediol [propane-1,3-diol;Trimethylene glycol;PDO;TMG;] C3H8O2 76.05243 504-63-2 metacyc NA NA +MetaCyc00169 2-methoxyethanol [2-methoxyethanol;ethylene glycol monomethyl ether;methyl cellosolve;] C3H8O2 76.05243 109-86-4 metacyc NA NA +HMDB01881 Propylene glycol C3H8O2 76.05243 http://www.hmdb.ca/metabolites/HMDB01881 PFEM_hmdb_metabocards_blood NA blood +HMDB01881 Propylene glycol C3H8O2 76.05243 HMDB01881 PFEM_hmdb_metabocards_official NA NA +HMDB06213 (S)-Propane-1,2-diol C3H8O2 76.05243 HMDB06213 PFEM_hmdb_metabocards_official NA NA +HMDB01476 3-Hydroxyanthranilic acid C7H7NO3 76.5212935 MH2+ Inhouse_peptide NA peptide +MetaCyc00170 another strange group [] C1H4N1O1P1 77.00305 NA metacyc NA NA +C01678 Cysteamine C2H7NS 77.0299 NA KEGG NA NA +C01679 Cytochrome C2H7NS 77.0299 NA KEGG NA NA +MJ000181 2-Aminoethanethiol C2H7NS 77.029919 NA MeJP NA NA +MJ000182 Cysteamine C2H7NS 77.029919 NA MeJP NA NA +HMDB02991 Cysteamine C2H7NS 77.02992 http://www.hmdb.ca/metabolites/HMDB02991 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02991 Cysteamine C2H7NS 77.02992 http://www.hmdb.ca/metabolites/HMDB02991 HMDB NA NA +MetaCyc00171 cysteamine [2-aminoethanethiol;β-aminoethanethiol;β-mercaptoethylamine;mercaptamine;thioethanolamine;] C2H7N1S1 77.02992 60-23-1 metacyc NA NA +HMDB02991 Cysteamine C2H7NS 77.02992 http://www.hmdb.ca/metabolites/HMDB02991 PFEM_hmdb_metabocards_blood NA blood +HMDB02991 Cysteamine C2H7NS 77.02992 HMDB02991 PFEM_hmdb_metabocards_official NA NA +HMDB02991 Cysteamine C2H7NS 77.029922 NA HMDB2010 NA NA +C03122 Haloaromatic compound C6H5X 77.0391 NA KEGG NA NA +HMDB12295 Trimethyl sulfonium C3H9S 77.042496 NA HMDB2010 NA NA +MetaCyc00172 trimethyl sulfonium [] C3H9S1 77.042496 2181-42-2 metacyc NA NA +C01008 Trimethylsulfonium C3H9S 77.0425 NA KEGG NA NA +MJ000183 Ammonium acetate C2H7NO2 77.047678 NA MeJP NA NA +HMDB00177 L-Histidine C6H9N3O2 77.5347365 MH2+ Inhouse_peptide NA peptide +MetaCyc00173 sodium sulfide [Na2S;] NA2S1 77.95161 1313-82-2 metacyc NA NA +C06754 Chloroacetaldehyde C2H3ClO 77.9872 NA KEGG NA NA +MJ000184 Chloroacetaldehyde C2H3ClO 77.987242 NA MeJP NA NA +MetaCyc00174 2-chloroacetaldehyde [] C2H3O1CL1 77.987242 NA metacyc NA NA +MJ000185 Aluminium hydroxide AlH3O3 77.989757 NA MeJP NA NA +C13391 Aluminum hydroxide AlH3O3 77.9898 NA KEGG NA NA +C06108 Fluoroacetate C2H3FO2 78.0117 NA KEGG NA NA +C06109 Cytochrome P-450 oxidized form C2H3FO2 78.0117 NA KEGG NA NA +C06110 Cytochrome P-450 reduced form C2H3FO2 78.0117 NA KEGG NA NA +MJ000186 Fluoroacetic acid C2H3FO2 78.011707 NA MeJP NA NA +C00928 Mercaptoethanol C2H6OS 78.0139 NA KEGG NA NA +C00929 Oligonucleotide C10H17O8PR2 78.0139 NA KEGG NA NA +C00930 Oligosaccharide C10H17O8PR2 78.0139 NA KEGG NA NA +C11143 Dimethyl sulfoxide C2H6OS 78.0139 NA KEGG NA NA +MJ000187 Dimethyl sulfoxide C2H6OS 78.013935 NA MeJP NA NA +MetaCyc00175 dimethyl sulfoxide [DMSO;sulfinylbismethane;] C2H6O1S1 78.013936 NA metacyc NA NA +MetaCyc00176 2-mercaptoethanol [β-mercaptoethanol;] C2H6O1S1 78.013936 NA metacyc NA NA +HMDB02151 Dimethyl sulfoxide C2H6OS 78.013939 NA HMDB2010 NA NA +HMDB02151 Dimethyl sulfoxide C2H6OS 78.01394 http://www.hmdb.ca/metabolites/HMDB02151 HMDB NA NA +HMDB02151 Dimethyl sulfoxide C2H6OS 78.01394 HMDB02151 PFEM_hmdb_metabocards_official NA NA +HMDB01505 benzene C6H6 78.04695 http://www.hmdb.ca/metabolites/HMDB01505 HMDB NA NA +MJ000188 Benzene C6H6 78.04695 NA MeJP NA NA +MetaCyc00177 benzene [benzol;benzole;] C6H6 78.04695 71-43-2 metacyc NA NA +HMDB01505 benzene C6H6 78.04695 HMDB01505 PFEM_hmdb_metabocards_official NA NA +HMDB01505 Benzene C6H6 78.046951 NA HMDB2010 NA NA +C01407 Benzene C6H6 78.047 NA KEGG NA NA +C01324 Bromide Br 78.9183 NA KEGG NA NA +MetaCyc00178 Br- [bromide;bromide ion;] BR1 78.918338 NA metacyc NA NA +HMDB02500 Bromine Br 78.91834 http://www.hmdb.ca/metabolites/HMDB02500 PFEM_hmdb_metabocards_urine NA urine +HMDB02500 Bromine Br 78.91834 http://www.hmdb.ca/metabolites/HMDB02500 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02500 Bromine Br 78.91834 http://www.hmdb.ca/metabolites/HMDB02500 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02500 Bromine Br 78.91834 http://www.hmdb.ca/metabolites/HMDB02500 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02500 Bromine Br 78.91834 http://www.hmdb.ca/metabolites/HMDB02500 HMDB NA NA +HMDB02500 Bromine Br 78.91834 http://www.hmdb.ca/metabolites/HMDB02500 PFEM_hmdb_metabocards_blood NA blood +HMDB02500 Bromine Br 78.91834 HMDB02500 PFEM_hmdb_metabocards_official NA NA +HMDB02500 Bromide [Br]- 78.918343 NA HMDB2010 NA NA +HMDB01443 Phosphite [PO3]3- 78.958504 NA HMDB2010 NA NA +HMDB01443 Phosphite O3P 78.95851 http://www.hmdb.ca/metabolites/HMDB01443 HMDB NA NA +HMDB01443 Phosphite O3P 78.95851 HMDB01443 PFEM_hmdb_metabocards_official NA NA +MetaCyc00179 2-chloroethylamine [ethanamine, 2-chloro-;2-chloroethanamine;] C2H6N1CL1 79.018877 NA metacyc NA NA +HMDB00926 Pyridine C5H5N 79.042198 NA HMDB2010 NA NA +MJ000189 Pyridine C5H5N 79.042199 NA MeJP NA NA +MetaCyc00180 pyridine [] C5H5N1 79.042199 110-86-1 metacyc NA NA +MetaCyc00181 pyridine-ring [] C5H5N1 79.042199 NA metacyc NA NA +HMDB00926 Pyridine C5H5N 79.0422 http://www.hmdb.ca/metabolites/HMDB00926 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00926 Pyridine C5H5N 79.0422 http://www.hmdb.ca/metabolites/HMDB00926 HMDB NA NA +C00747 Pyridine C5H5N 79.0422 NA KEGG NA NA +HMDB00926 Pyridine C5H5N 79.0422 http://www.hmdb.ca/metabolites/HMDB00926 PFEM_hmdb_metabocards_blood NA blood +HMDB00926 Pyridine C5H5N 79.0422 HMDB00926 PFEM_hmdb_metabocards_official NA NA +HMDB00678 Isovalerylglycine C7H13NO3 79.5447695 MH2+ Inhouse_peptide NA peptide +C01529 Selenium Se 79.9165 NA KEGG NA NA +HMDB01349 Selenium [Se]2- 79.916519 NA HMDB2010 NA NA +HMDB01349 Selenium Se 79.91652 http://www.hmdb.ca/metabolites/HMDB01349 PFEM_hmdb_metabocards_urine NA urine +HMDB01349 Selenium Se 79.91652 http://www.hmdb.ca/metabolites/HMDB01349 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01349 Selenium Se 79.91652 http://www.hmdb.ca/metabolites/HMDB01349 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01349 Selenium Se 79.91652 http://www.hmdb.ca/metabolites/HMDB01349 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01349 Selenium Se 79.91652 http://www.hmdb.ca/metabolites/HMDB01349 HMDB NA NA +HMDB01349 Selenium Se 79.91652 http://www.hmdb.ca/metabolites/HMDB01349 PFEM_hmdb_metabocards_blood NA blood +HMDB01349 Selenium Se 79.91652 HMDB01349 PFEM_hmdb_metabocards_official NA NA +MJ000190 Selenium Se 79.916521 NA MeJP NA NA +MetaCyc00182 Se-2 [selenide ion;] SE1 79.916522 NA metacyc NA NA +MJ000191 Zinc oxide OZn 79.924061 NA MeJP NA NA +C13645 Hydrobromic acid HBr 79.9262 NA KEGG NA NA +MJ000192 Titanium(IV) oxide (TiO2) O2Ti 79.937776 NA MeJP NA NA +HMDB00240 Sulfite O3S 79.95681 http://www.hmdb.ca/metabolites/HMDB00240 HMDB NA NA +HMDB00240 Sulfite O3S 79.95681 HMDB00240 PFEM_hmdb_metabocards_official NA NA +MetaCyc00183 sulfite [SO3;SO3-2;] O3S1 79.956815 7782-99-2 metacyc NA NA +HMDB00240 Sulfite [SO3]2- 79.956818 NA HMDB2010 NA NA +MetaCyc00184 phosphite [] H1O3P1 79.96633 NA metacyc NA NA +MetaCyc00185 x-phosphate-group [] H1O3P1 79.96633 NA metacyc NA NA +MJ000193 Calcium cyanamide CCaN2 79.968739 NA MeJP NA NA +MJ000194 2-Chloroethanol C2H5ClO 80.002892 NA MeJP NA NA +MetaCyc00186 2-chloroethanol [] C2H5O1CL1 80.002892 107-07-3 metacyc NA NA +C06753 2-Chloroethanol C2H5ClO 80.0029 NA KEGG NA NA +7590 ACE inhibitor AA 80.037 MH2+ Inhouse_peptide NA peptide +C00396 Pyrimidine C4H4N2 80.0374 NA KEGG NA NA +HMDB03361 Pyrimidine C4H4N2 80.037445 NA HMDB2010 NA NA +MetaCyc00187 pyrimidine [pyrimidine-ring;] C4H4N2 80.037448 NA metacyc NA NA +HMDB03361 Pyrimidine C4H4N2 80.03745 http://www.hmdb.ca/metabolites/HMDB03361 HMDB NA NA +HMDB03361 Pyrimidine C4H4N2 80.03745 HMDB03361 PFEM_hmdb_metabocards_official NA NA +HMDB02038 N(6)-Methyllysine C7H16N2O2 80.0605925 MH2+ Inhouse_peptide NA peptide +HMDB00510 Aminoadipic acid C6H11NO4 80.534401 MH2+ Inhouse_peptide NA peptide +HMDB00062 L-Carnitine C7H15NO3 80.552597 MH2+ Inhouse_peptide NA peptide +C11481 HSO3- HSO3 80.9646 NA KEGG NA NA +C11482 Holo-Lys2 HSR 80.9646 NA KEGG NA NA +HMDB01033 Hydrogen sulfite [HSO3]- 80.964638 NA HMDB2010 NA NA +HMDB01033 Hydrogen Sulfite HO3S 80.96464 http://www.hmdb.ca/metabolites/HMDB01033 HMDB NA NA +MetaCyc00188 HSO3- [HSO3;bisulfite;] H1O3S1 80.96464 NA metacyc NA NA +HMDB01033 Hydrogen Sulfite HO3S 80.96464 HMDB01033 PFEM_hmdb_metabocards_official NA NA +EUR271 5hydroxymethyluracil F4 F4 81.026375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR271 5hydroxymethyluracil F4 NA 81.026375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR271 5hydroxymethyluracil F4 F4 81.026375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR271 5hydroxymethyluracil F4 NA 81.026375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR271 5hydroxymethyluracil F4 F4 81.026375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR271 5hydroxymethyluracil F4 NA 81.026375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR271 5hydroxymethyluracil F4 F4 81.026375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR271 5hydroxyméthyluracil F4 F4 81.026375 standards wishlist analysés sur QTOF HMDB NA NA +EUR271 5hydroxymethyluracil F4 F4 81.026375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR271 5hydroxymethyluracil F4 NA 81.026375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR271 5hydroxymethyluracil F4 F4 81.026375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR271 5hydroxymethyluracil F4 F4 81.026375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +7607 ACE inhibitor GS 81.0265 MH2+ Inhouse_peptide NA peptide +7618 ACE inhibitor SG 81.0265 MH2+ Inhouse_peptide NA peptide +HMDB00450 5-Hydroxylysine C6H14N2O3 81.0502245 MH2+ Inhouse_peptide NA peptide +C16933 3,6-Dihydropyridine C5H7N 81.0578 NA KEGG NA NA +MJ000195 Dimethylaminotrihydroborate(1-); Na salt C2H9BNNa 81.072574 NA MeJP NA NA +HMDB01890 Acetylcysteine C5H9NO3S 81.5151595 MH2+ Inhouse_peptide NA peptide +MJ000196 Selenide H2Se 81.932171 NA MeJP NA NA +MetaCyc00189 selenide [Hydrogen selenide;] H2SE1 81.932172 531-44-2 metacyc NA NA +HMDB11110 Hydrogen selenide H2Se 81.932175 NA HMDB2010 NA NA +C01528 Selenide H2Se 81.9322 NA KEGG NA NA +HMDB03008 Bisulfite H2O3S 81.97246 http://www.hmdb.ca/metabolites/HMDB03008 HMDB NA NA +HMDB03008 Bisulfite H2O3S 81.97246 HMDB03008 PFEM_hmdb_metabocards_official NA NA +MJ000197 Sulfite H2O3S 81.972464 NA MeJP NA NA +MJ000198 Sulfurous acid H2O3S 81.972464 NA MeJP NA NA +MetaCyc00190 H2SO3 [sulfurous acid;] H2O3S1 81.972465 7782-99-2 metacyc NA NA +C00094 Sulfite H2SO3 81.9725 NA KEGG NA NA +MetaCyc00191 phosphonate [phosphorous acid;] H3O3P1 81.98198 13598-36-2 metacyc NA NA +C06701 Phosphonate PH3O3 81.982 NA KEGG NA NA +C06702 Polyamine PH3O3 81.982 NA KEGG NA NA +C06703 Quaternary amine PH3O3 81.982 NA KEGG NA NA +C06704 Iron chelate PH3O3 81.982 NA KEGG NA NA +C06705 Capsular polysaccharide PH3O3 81.982 NA KEGG NA NA +C06706 Lipo-oligosaccharide PH3O3 81.982 NA KEGG NA NA +C06707 Teichoic acid PH3O3 81.982 NA KEGG NA NA +C06708 Xenobiotic PH3O3 81.982 NA KEGG NA NA +CJneg0006 Glycerol Phosphate [(M-H)-(C3H6O3)]- H2O3P 81.982525 C18rt(min)=0.9 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0006 Glycerol Phosphate [(M-H)-(C3H6O3)]- H2O3P 81.982525 C18rt(min)=0.9 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MetaCyc00192 4-imidazolone [] C3H2N2O1 82.016713 NA metacyc NA NA +MJ000199 2-Methylfuran C5H6O 82.041864 NA MeJP NA NA +MJ000200 4(5)-Methylimidazole C4H6N2 82.053098 NA MeJP NA NA +C07837 Fomepizole C4H6N2 82.0531 NA KEGG NA NA +MJ000201 1,5-Hexadiene C6H10 82.07825 NA MeJP NA NA +MJ000202 1-Methylcyclopentene C6H10 82.07825 NA MeJP NA NA +MJ000203 3-Methylcyclopentene C6H10 82.07825 NA MeJP NA NA +HMDB02005 Methionine sulfoxide C5H11NO3S 82.5229795 MH2+ Inhouse_peptide NA peptide +HMDB00159 L-Phenylalanine C9H11NO2 82.5394895 MH2+ Inhouse_peptide NA peptide +HMDB02036 Chlorate [ClO3]- 82.953598 NA HMDB2010 NA NA +EUR222 Glutamic acid F4 F4 83.037475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR222 Acide Glutamique F4 NA 83.037475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR222 Glutamic acid F4 F4 83.037475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR222 Acide Glutamique F4 NA 83.037475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR222 Glutamic acid F4 F4 83.037475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR222 Acide Glutamique F4 NA 83.037475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR222 Glutamic acid F4 F4 83.037475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR222 Glutamic acid F4 F4 83.037475 standards wishlist analysés sur QTOF HMDB NA NA +EUR222 Glutamic acid F4 F4 83.037475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR222 Acide Glutamique F4 NA 83.037475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR222 Glutamic acid F4 F4 83.037475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR222 Glutamic acid F4 F4 83.037475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR225 Threonin F3 F3 83.038175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR225 Threonine F3 NA 83.038175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR225 Threonin F3 F3 83.038175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR225 Threonine F3 NA 83.038175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR225 Threonin F3 F3 83.038175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR225 Threonine F3 NA 83.038175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR225 Threonin F3 F3 83.038175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR225 Threonin F3 F3 83.038175 standards wishlist analysés sur QTOF HMDB NA NA +EUR225 Threonin F3 F3 83.038175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR225 Threonine F3 NA 83.038175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR225 Threonin F3 F3 83.038175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR225 Threonin F3 F3 83.038175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C05239 5-Aminoimidazole C3H5N3 83.0483 NA KEGG NA NA +C05241 Ureidoglycolate C3H5N3 83.0483 NA KEGG NA NA +C05242 6-Hydroxy-2-oxohexanoate C3H5N3 83.0483 NA KEGG NA NA +HMDB03929 5-Aminoimidazole C3H5N3 83.048347 NA HMDB2010 NA NA +MJ000204 2-Aminoimidazole C3H5N3 83.048347 NA MeJP NA NA +MJ000205 4(5)-Aminoimidazole C3H5N3 83.048347 NA MeJP NA NA +MJ000206 5-Aminoimidazole C3H5N3 83.048347 NA MeJP NA NA +MetaCyc00193 4-aminoimidazole [] C3H5N3 83.048347 NA metacyc NA NA +MetaCyc00194 amino-imidazole [] C3H5N3 83.048347 NA metacyc NA NA +HMDB03929 5-Aminoimidazole C3H5N3 83.04835 http://www.hmdb.ca/metabolites/HMDB03929 HMDB NA NA +HMDB03929 5-Aminoimidazole C3H5N3 83.04835 HMDB03929 PFEM_hmdb_metabocards_official NA NA +MJ000207 Piperideine C5H9N 83.073499 NA MeJP NA NA +MJ000208 2,3-Dihydro-3-methyl-1H-pyrrole C5H9N 83.073499 NA MeJP NA NA +MJ000209 2,3-Dihydro-3-methylpyrrole C5H9N 83.073499 NA MeJP NA NA +MJ000210 Pentanoic acid; Nitrile C5H9N 83.073499 NA MeJP NA NA +C06181 Piperideine C5H9N 83.0735 NA KEGG NA NA +MJ000211 Dichloromethane CH2Cl2 83.953355 NA MeJP NA NA +MetaCyc00195 dichloromethane [Methylene chloride;Methylene dichloride;CH2Cl2;] C1H2CL2 83.953355 75-09-2 metacyc NA NA +C02271 Dichloromethane CH2Cl2 83.9534 NA KEGG NA NA +C01485 Chlorate HO3Cl 83.9614 NA KEGG NA NA +HMDB02036 Chloric acid ClHO3 83.96142 http://www.hmdb.ca/metabolites/HMDB02036 HMDB NA NA +HMDB02036 Chloric acid ClHO3 83.96142 HMDB02036 PFEM_hmdb_metabocards_official NA NA +MetaCyc00196 chlorate [chloric acid;] H1O3CL1 83.961422 7790-93-4 metacyc NA NA +MJ000212 Magnesium carbonate CMgO3 83.969785 NA MeJP NA NA +C12893 Magnesium carbonate CO3 83.9698 NA KEGG NA NA +C12894 Transferred to D01447 CO3 83.9698 NA KEGG NA NA +C12895 Transferred to D01448 CO3 83.9698 NA KEGG NA NA +C12603 Sodium bicarbonate HCO3 83.9823 NA KEGG NA NA +C12604 Transferred to D01204 HCO3 83.9823 NA KEGG NA NA +C12605 Transferred to D01205 HCO3 83.9823 NA KEGG NA NA +C12606 Transferred to D01206 HCO3 83.9823 NA KEGG NA NA +C12607 Transferred to D01207 HCO3 83.9823 NA KEGG NA NA +C12608 Transferred to D01208 HCO3 83.9823 NA KEGG NA NA +MJ000213 Sodium hydrogen carbonate CHNaO3 83.982338 NA MeJP NA NA +C02648 4-Hydroxy-2-butynal C4H4O2 84.0211 NA KEGG NA NA +C06144 3-Butynoate C4H4O2 84.0211 NA KEGG NA NA +C17601 2(5H)-Furanone C4H4O2 84.0211 NA KEGG NA NA +C17602 2(3H)-Furanone C4H4O2 84.0211 NA KEGG NA NA +MJ000214 2-(Hydroxymethyl)-2-cyclopropen-1-one C4H4O2 84.021129 NA MeJP NA NA +MJ000215 2-Hydroxy-3-methylenecyclopropanone C4H4O2 84.021129 NA MeJP NA NA +MetaCyc00197 4-hydroxy-2-butynal [4-hydroxybut-2-ynal;] C4H4O2 84.021129 NA metacyc NA NA +HMDB04363 Imidazolone C3H4N2O 84.03236 http://www.hmdb.ca/metabolites/HMDB04363 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04363 Imidazolone C3H4N2O 84.03236 http://www.hmdb.ca/metabolites/HMDB04363 HMDB NA NA +HMDB04363 Imidazolone C3H4N2O 84.03236 http://www.hmdb.ca/metabolites/HMDB04363 PFEM_hmdb_metabocards_blood NA blood +HMDB04363 Imidazolone C3H4N2O 84.03236 HMDB04363 PFEM_hmdb_metabocards_official NA NA +MJ000216 5-Imidazolone C3H4N2O 84.032362 NA MeJP NA NA +HMDB04363 Imidazolone C3H4N2O 84.032364 NA HMDB2010 NA NA +C06195 Imidazolone C3H4N2O 84.0324 NA KEGG NA NA +C11261 3-Amino-1,2,4-triazole C2H4N4 84.0436 NA KEGG NA NA +C00557 Cyclopentanone C5H8O 84.0575 NA KEGG NA NA +C07330 3-Methylbut-2-enal C5H8O 84.0575 NA KEGG NA NA +C15604 Prenal C5H8O 84.0575 NA KEGG NA NA +HMDB01184 Methyl propenyl ketone C5H8O 84.05751 http://www.hmdb.ca/metabolites/HMDB01184 HMDB NA NA +HMDB01184 Methyl propenyl ketone C5H8O 84.05751 HMDB01184 PFEM_hmdb_metabocards_official NA NA +MJ000217 2-Methyl-2-butenal C5H8O 84.057514 NA MeJP NA NA +MJ000218 2-Methylcyclobutanone C5H8O 84.057514 NA MeJP NA NA +MJ000219 2-Pentenal C5H8O 84.057514 NA MeJP NA NA +MJ000220 3-Methyl-2-butenal C5H8O 84.057514 NA MeJP NA NA +MJ000221 4-Penten-2-one C5H8O 84.057514 NA MeJP NA NA +MetaCyc00198 3-methyl-2-butenal [3-methylbut-2-enal;3,3-dimethyl-acrylaldehyde;prenal;] C5H8O1 84.057515 NA metacyc NA NA +MetaCyc00199 cyclopentanone [] C5H8O1 84.057515 120-92-3 metacyc NA NA +HMDB01184 Methyl propenyl ketone C5H8O 84.057518 NA HMDB2010 NA NA +HMDB12157 3-Methyl-2-butenal C5H8O 84.057518 NA HMDB2010 NA NA +CJneg0007 Adipic acid [(M-H)-(H2O)-(CO2)]- C5H7O 84.058025 C18rt(min)=5.1 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0007 Adipic acid [(M-H)-(H2O)-(CO2)]- C5H7O 84.058025 C18rt(min)=5.1 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C06178 1-Methylpyrrolinium C5H10N 84.0813 NA KEGG NA NA +MJ000222 1-Methylpyrrolinium C5H10N 84.081324 NA MeJP NA NA +C11249 Cyclohexane C6H12 84.0939 NA KEGG NA NA +MJ000223 2,3-Dimethyl-2-butene C6H12 84.0939 NA MeJP NA NA +MJ000224 Methylcyclopentane C6H12 84.0939 NA MeJP NA NA +HMDB00001 1-Methylhistidine C7H11N3O2 84.5425645 MH2+ Inhouse_peptide NA peptide +HMDB00479 3-Methylhistidine C7H11N3O2 84.5425645 MH2+ Inhouse_peptide NA peptide +HMDB01327 Rubidium [Rb]+ 84.911789 NA HMDB2010 NA NA +HMDB01327 Rubidium Rb 84.91179 http://www.hmdb.ca/metabolites/HMDB01327 PFEM_hmdb_metabocards_urine NA urine +HMDB01327 Rubidium Rb 84.91179 http://www.hmdb.ca/metabolites/HMDB01327 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01327 Rubidium Rb 84.91179 http://www.hmdb.ca/metabolites/HMDB01327 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01327 Rubidium Rb 84.91179 http://www.hmdb.ca/metabolites/HMDB01327 HMDB NA NA +HMDB01327 Rubidium Rb 84.91179 HMDB01327 PFEM_hmdb_metabocards_official NA NA +C17061 Rubidium Rb 84.9118 NA KEGG NA NA +MJ000225 Potassium nitrite (KNO2) KNO2 84.95661 NA MeJP NA NA +MJ000226 4-Isoxazolol C3H3NO2 85.016378 NA MeJP NA NA +EUR218 Hydroxyproline F3 F3 85.051875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR218 Hydroxyproline F3 NA 85.051875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR218 Hydroxyproline F3 F3 85.051875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR218 Hydroxyproline F3 NA 85.051875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR218 Hydroxyproline F3 F3 85.051875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR218 Hydroxyproline F3 NA 85.051875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR218 Hydroxyproline F3 F3 85.051875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR218 Hydroxyproline F3 F3 85.051875 standards wishlist analysés sur QTOF HMDB NA NA +EUR218 Hydroxyproline F3 F3 85.051875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR218 Hydroxyproline F3 NA 85.051875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR218 Hydroxyproline F3 F3 85.051875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR218 Hydroxyproline F3 F3 85.051875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB02039 2-Pyrrolidinone C4H7NO 85.05276 http://www.hmdb.ca/metabolites/HMDB02039 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02039 2-Pyrrolidinone C4H7NO 85.05276 http://www.hmdb.ca/metabolites/HMDB02039 HMDB NA NA +HMDB02039 2-Pyrrolidinone C4H7NO 85.05276 http://www.hmdb.ca/metabolites/HMDB02039 PFEM_hmdb_metabocards_blood NA blood +HMDB02039 2-Pyrrolidinone C4H7NO 85.05276 HMDB02039 PFEM_hmdb_metabocards_official NA NA +EUR046 2-pyrrolidone C4H7NO 85.052764 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR046 2-pyrrolidone C4H7NO 85.052764 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR046 2-pyrrolidone C4H7NO 85.052764 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR046 2-pyrrolidone C4H7NO 85.052764 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR046 2-pyrrolidone C4H7NO 85.052764 Wishlist HMDB NA NA +EUR046 2-pyrrolidone C4H7NO 85.052764 Wishlist Inhouse_PFEM NA NA +MetaCyc00200 acetone cyanohydrin [2-hydroxy-2-methylpropanenitrile;2-hydroxyisobutyronitrile;] C4H7N1O1 85.052764 75-86-5 metacyc NA NA +EUR046 2-pyrrolidone C4H7NO 85.052764 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR046 2-pyrrolidone C4H7NO 85.052764 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB02039 2-Pyrrolidinone C4H7NO 85.052765 NA HMDB2010 NA NA +EUR046 2-pyrrolidone C4H7NO 85.0528 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR046 2-pyrrolidone C4H7NO 85.0528 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR046 2-pyrrolidone C4H7NO 85.0528 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR046 2-pyrrolidone C4H7NO 85.0528 Wishlist Inhousejuil11 NA NA +C02659 Acetone cyanohydrin C4H7NO 85.0528 NA KEGG NA NA +EUR326 2-Pyrrolidone F1 NA 85.056175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR326 2-Pyrrolidone F1 NA 85.056175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR326 2-Pyrrolidone F1 NA 85.056175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR326 2-Pyrrolidone F1 NA 85.056175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR323 Isoleucine F2 F2 85.086075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR323 Isoleucine F2 NA 85.086075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR323 Isoleucine F2 F2 85.086075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR323 Isoleucine F2 NA 85.086075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR323 Isoleucine F2 F2 85.086075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR323 Isoleucine F2 NA 85.086075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR323 Isoleucine F2 F2 85.086075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR323 Isoleucine F2 F2 85.086075 standards wishlist analysés sur QTOF HMDB NA NA +EUR323 Isoleucine F2 F2 85.086075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR323 Isoleucine F2 NA 85.086075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR323 Isoleucine F2 F2 85.086075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR323 Isoleucine F2 F2 85.086075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR325 Leucine F2 F2 85.087575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR325 Leucine F2 NA 85.087575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR325 Leucine F2 F2 85.087575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR325 Leucine F2 NA 85.087575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR325 Leucine F2 F2 85.087575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR325 Leucine F2 NA 85.087575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR325 Leucine F2 F2 85.087575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR325 Leucine F2 F2 85.087575 standards wishlist analysés sur QTOF HMDB NA NA +EUR325 Leucine F2 F2 85.087575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR325 Leucine F2 NA 85.087575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR325 Leucine F2 F2 85.087575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR325 Leucine F2 F2 85.087575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C01746 Piperidine C5H11N 85.0891 NA KEGG NA NA +MJ000227 1-Methylpyrrolidine C5H11N 85.089149 NA MeJP NA NA +MJ000228 Piperidine C5H11N 85.089149 NA MeJP NA NA +MJ000229 Trimethylvinylammonium(1+) C5H12N(+) 85.089149 NA MeJP NA NA +MetaCyc00201 piperidine [hexahydro-pyridine;] C5H11N1 85.089149 110-89-4 metacyc NA NA +MJ000230 Chlorodifluoromethane CHClF2 85.973484 NA MeJP NA NA +EUR294 Methionine F5 F5 86.021675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR294 Methionine F5 NA 86.021675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR294 Methionine F5 F5 86.021675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR294 Methionine F5 NA 86.021675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR294 Methionine F5 F5 86.021675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR294 Methionine F5 NA 86.021675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR294 Methionine F5 F5 86.021675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR294 Methionine F5 F5 86.021675 standards wishlist analysés sur QTOF HMDB NA NA +EUR294 Methionine F5 F5 86.021675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR294 Methionine F5 NA 86.021675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR294 Methionine F5 F5 86.021675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR294 Methionine F5 F5 86.021675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +2753 peptide regulating the stomach mucosal membrane activity GP 86.0365 MH2+ Inhouse_peptide NA peptide +2754 peptide regulating the stomach mucosal membrane activity PG 86.0365 MH2+ Inhouse_peptide NA peptide +3169 dipeptidyl peptidase IV inhibitor GP 86.0365 MH2+ Inhouse_peptide NA peptide +3283 NA GP 86.0365 MH2+ Inhouse_peptide NA peptide +3285 NA PG 86.0365 MH2+ Inhouse_peptide NA peptide +3460 Prolyl endopeptidase inhibitor PG 86.0365 MH2+ Inhouse_peptide NA peptide +3461 Prolyl endopeptidase inhibitor GP 86.0365 MH2+ Inhouse_peptide NA peptide +7512 ACE inhibitor from Alaskan pollack skin GP 86.0365 MH2+ Inhouse_peptide NA peptide +7625 ACE inhibitor PG 86.0365 MH2+ Inhouse_peptide NA peptide +MJ000231 2,3-Butanedione C4H6O2 86.036779 NA MeJP NA NA +MJ000232 2-Butenoic acid C4H6O2 86.036779 NA MeJP NA NA +MJ000233 2-Methyl-2-propenoic acid C4H6O2 86.036779 NA MeJP NA NA +MJ000234 3-Butenoic acid C4H6O2 86.036779 NA MeJP NA NA +MJ000235 4-Hydroxy-2-butenal C4H6O2 86.036779 NA MeJP NA NA +MJ000236 3-Butynoate C4H6O2 86.036779 NA MeJP NA NA +MJ000237 Diacetyl C4H6O2 86.036779 NA MeJP NA NA +MetaCyc00202 vinyl acetate [] C4H6O2 86.036779 NA metacyc NA NA +MetaCyc00203 diacetyl [2,3-butanedione;biacetyl;dimethylglyoxal;2,3-diketobutane;2,3-dioxobutane;butadione;dimethyl diketone;butanedione;] C4H6O2 86.036779 431-03-8 metacyc NA NA +MetaCyc00204 crotonate [2-Butenoate;b-methylacrylic acid;trans-2-butenoic acid;2-Butenoic acid;Crotonic acid;β-methylacrylic acid;] C4H6O2 86.036779 3724-65-0 metacyc NA NA +MetaCyc00205 2-butyne-1,4-diol [] C4H6O2 86.036779 110-65-6 metacyc NA NA +HMDB00549 gamma-Butyrolactone C4H6O2 86.03678 http://www.hmdb.ca/metabolites/HMDB00549 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00549 gamma-Butyrolactone C4H6O2 86.03678 http://www.hmdb.ca/metabolites/HMDB00549 HMDB NA NA +HMDB02523 Oxolan-3-one C4H6O2 86.03678 http://www.hmdb.ca/metabolites/HMDB02523 HMDB NA NA +HMDB03407 Diacetyl C4H6O2 86.03678 http://www.hmdb.ca/metabolites/HMDB03407 HMDB NA NA +HMDB00549 gamma-Butyrolactone C4H6O2 86.03678 http://www.hmdb.ca/metabolites/HMDB00549 PFEM_hmdb_metabocards_blood NA blood +HMDB00549 gamma-Butyrolactone C4H6O2 86.03678 HMDB00549 PFEM_hmdb_metabocards_official NA NA +HMDB02523 Oxolan-3-one C4H6O2 86.03678 HMDB02523 PFEM_hmdb_metabocards_official NA NA +HMDB03407 Diacetyl C4H6O2 86.03678 HMDB03407 PFEM_hmdb_metabocards_official NA NA +HMDB00549 Gamma-Butyrolactone C4H6O2 86.036781 NA HMDB2010 NA NA +HMDB02523 Oxolan-3-one C4H6O2 86.036781 NA HMDB2010 NA NA +HMDB03407 Diacetyl C4H6O2 86.036781 NA HMDB2010 NA NA +HMDB10720 But-2-enoic acid C4H6O2 86.036781 NA HMDB2010 NA NA +C00741 Diacetyl C4H6O2 86.0368 NA KEGG NA NA +C01770 1,4-Lactone C4H6O2 86.0368 NA KEGG NA NA +C01771 2-Butenoate C4H6O2 86.0368 NA KEGG NA NA +C02497 2-Butyne-1,4-diol C4H6O2 86.0368 NA KEGG NA NA +C16267 Cyclopropanecarboxylate C4H6O2 86.0368 NA KEGG NA NA +C16835 Succinic aldehyde C4H6O2 86.0368 NA KEGG NA NA +CJneg0008 Citric acid [(M-H)-(H2O)-2(CO2)]- C4H5O2 86.037325 C18rt(min)=1.09 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0008 Citric acid [(M-H)-(H2O)-2(CO2)]- C4H5O2 86.037325 C18rt(min)=1.09 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +HMDB00721 Glycylproline C7H12N2O3 86.0423965 MH2+ Inhouse_peptide NA peptide +HMDB06478 iso-Valeraldehyde C5H10O 86.07316 http://www.hmdb.ca/metabolites/HMDB06478 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06478 iso-Valeraldehyde C5H10O 86.07316 http://www.hmdb.ca/metabolites/HMDB06478 HMDB NA NA +HMDB06478 iso-Valeraldehyde C5H10O 86.07316 http://www.hmdb.ca/metabolites/HMDB06478 PFEM_hmdb_metabocards_blood NA blood +HMDB06478 iso-Valeraldehyde C5H10O 86.07316 HMDB06478 PFEM_hmdb_metabocards_official NA NA +MJ000238 1-Penten-3-ol C5H10O 86.073164 NA MeJP NA NA +MJ000239 2-Methyl-2-buten-1-ol C5H10O 86.073164 NA MeJP NA NA +MJ000240 2-Methyl-3-buten-2-ol C5H10O 86.073164 NA MeJP NA NA +MJ000241 2-Methylbutanal C5H10O 86.073164 NA MeJP NA NA +MJ000242 2-Pentanone C5H10O 86.073164 NA MeJP NA NA +MJ000243 2-Penten-1-ol C5H10O 86.073164 NA MeJP NA NA +MJ000244 3-Methyl-2-butanone C5H10O 86.073164 NA MeJP NA NA +MJ000245 3-Methyl-2-buten-1-ol C5H10O 86.073164 NA MeJP NA NA +MJ000246 3-Methyl-3-buten-1-ol C5H10O 86.073164 NA MeJP NA NA +MJ000247 3-Methyl-3-buten-2-ol C5H10O 86.073164 NA MeJP NA NA +MJ000248 3-Methylbutanal C5H10O 86.073164 NA MeJP NA NA +MJ000249 3-Pentanone C5H10O 86.073164 NA MeJP NA NA +MJ000250 Pentanal C5H10O 86.073164 NA MeJP NA NA +MetaCyc00206 prenol [] C5H10O1 86.073165 556-82-1 metacyc NA NA +MetaCyc00207 pentan-2-one [] C5H10O1 86.073165 107-87-9 metacyc NA NA +MetaCyc00208 2-methylbutanal [2-methylbutyraldehyde;] C5H10O1 86.073165 96-17-3 metacyc NA NA +MetaCyc00209 cyclopentanol [] C5H10O1 86.073165 96-41-3 metacyc NA NA +MetaCyc00210 3-methylbutanal [3-methylbutanal;isoamylaldehyde;isopentaldehyde;] C5H10O1 86.073165 NA metacyc NA NA +HMDB06478 Iso-Valeraldehyde C5H10O 86.073166 NA HMDB2010 NA NA +C01390 Prenol C5H10O 86.0732 NA KEGG NA NA +C01392 alpha-Tubulin C11H13N2O4R 86.0732 NA KEGG NA NA +C01949 Pentan-2-one C5H10O 86.0732 NA KEGG NA NA +C02020 Cyclopentanol C5H10O 86.0732 NA KEGG NA NA +C02021 Cytochrome c1 C5H10O 86.0732 NA KEGG NA NA +C02223 2-Methylbutanal C5H10O 86.0732 NA KEGG NA NA +C07329 3-Methylbutanal C5H10O 86.0732 NA KEGG NA NA +CJneg0009 3-methyl-2-oxovaleric acid [(M-H)-(CO2)]- C5H9O 86.073725 C18rt(min)=5.37 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0009 3-methyl-2-oxovaleric acid [(M-H)-(CO2)]- C5H9O 86.073725 C18rt(min)=5.37 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ000251 Piperazine C4H10N2 86.084398 NA MeJP NA NA +MetaCyc00211 piperazine [pripsen;hexahydropyrazine;piperazidine;diethylenediamine;] C4H10N2 86.084398 110-85-0 metacyc NA NA +C07973 Piperazine C4H10N2 86.0844 NA KEGG NA NA +MJ000252 Hexane C6H14 86.10955 NA MeJP NA NA +C11271 n-Hexane C6H14 86.1096 NA KEGG NA NA +HMDB04225 2-Oxoarginine C6H11N3O3 86.540024 MH2+ Inhouse_peptide NA peptide +MJ000253 Ethyl isothiocyanate C3H5NS 87.014269 NA MeJP NA NA +C02218 2-Aminoacrylate C3H5NO2 87.032 NA KEGG NA NA +C06695 2-Oxazolidinone C3H5NO2 87.032 NA KEGG NA NA +HMDB03609 2-Aminoacrylic acid C3H5NO2 87.032028 NA HMDB2010 NA NA +MJ000254 2-Amino-2-propenoic acid C3H5NO2 87.032028 NA MeJP NA NA +MJ000255 3-Isoxazolidinone C3H5NO2 87.032028 NA MeJP NA NA +MJ000256 Pyruvaldehyde; 1-Oxime C3H5NO2 87.032028 NA MeJP NA NA +MetaCyc00212 dehydroalanine [] C3H5N1O2 87.032028 NA metacyc NA NA +MetaCyc00213 2-aminoacrylate [] C3H5N1O2 87.032028 NA metacyc NA NA +HMDB03609 2-Aminoacrylate C3H5NO2 87.03203 http://www.hmdb.ca/metabolites/HMDB03609 HMDB NA NA +HMDB03609 2-Aminoacrylate C3H5NO2 87.03203 HMDB03609 PFEM_hmdb_metabocards_official NA NA +EUR442 Serine F2 F2 87.033475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR442 Serine F2 NA 87.033475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR442 Serine F2 F2 87.033475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR442 Serine F2 NA 87.033475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR442 Serine F2 F2 87.033475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR442 Serine F2 NA 87.033475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR442 Serine F2 F2 87.033475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR442 Serine F2 F2 87.033475 standards wishlist analysés sur QTOF HMDB NA NA +EUR442 Serine F2 F2 87.033475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR442 Serine F2 NA 87.033475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR442 Serine F2 F2 87.033475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR442 Serine F2 F2 87.033475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +7594 ACE inhibitor VG 87.0445 MH2+ Inhouse_peptide NA peptide +7608 ACE inhibitor GV 87.0445 MH2+ Inhouse_peptide NA peptide +HMDB03357 N-Acetylornithine C7H14N2O3 87.0502245 MH2+ Inhouse_peptide NA peptide +HMDB00517 L-Arginine C6H14N4O2 87.0558395 MH2+ Inhouse_peptide NA peptide +C00555 4-Aminobutyraldehyde C4H9NO 87.0684 NA KEGG NA NA +C03219 2-Methylpropanal oxime C4H9NO 87.0684 NA KEGG NA NA +C14452 Morpholine C4H9NO 87.0684 NA KEGG NA NA +HMDB01080 4-Aminobutyraldehyde C4H9NO 87.06841 http://www.hmdb.ca/metabolites/HMDB01080 HMDB NA NA +HMDB01080 4-Aminobutyraldehyde C4H9NO 87.06841 HMDB01080 PFEM_hmdb_metabocards_official NA NA +HMDB01080 4-Aminobutyraldehyde C4H9NO 87.068413 NA HMDB2010 NA NA +MJ000257 N-Ethylacetamide C4H9NO 87.068413 NA MeJP NA NA +MJ000258 4-Aminobutanal C4H9NO 87.068413 NA MeJP NA NA +MetaCyc00214 morpholine [tetrahydro-14-iso-xazine;] C4H9N1O1 87.068414 110-91-8 metacyc NA NA +MetaCyc00215 isobutyramide [2-methylpropionamide;] C4H9N1O1 87.068414 563-83-7 metacyc NA NA +MetaCyc00216 ethylacetimidate [] C4H9N1O1 87.068414 NA metacyc NA NA +MetaCyc00217 (Z)-2-methylpropanal-oxime [] C4H9N1O1 87.068414 NA metacyc NA NA +MetaCyc00218 butyramide [n-butylamide;n-butyramide;butanamide;butanimidic acid;butanoic acid, amide;] C4H9N1O1 87.068414 NA metacyc NA NA +MetaCyc00219 (E)-2-methylpropanal-oxime [] C4H9N1O1 87.068414 151-00-8 metacyc NA NA +MetaCyc00220 4-amino-butyraldehyde [4-aminobutanal;γ-aminobutyraldehyde;4-aminobutyraldehyde;] C4H9N1O1 87.068414 4390-05-0 metacyc NA NA +MJ000259 3-Methyl-1-butylamine C5H13N 87.104799 NA MeJP NA NA +MetaCyc00221 n-amylamine [1-pentanamine;1-aminopentane;1-pentylamine;monoamylamine;norleucamine;n-amylamine;n-pentylamine;] C5H13N1 87.104799 110-58-7 metacyc NA NA +C02640 3-Methylbutanamine C5H13N 87.1048 NA KEGG NA NA +HMDB00812 N-Acetyl-L-aspartic acid C6H9NO5 87.5240325 MH2+ Inhouse_peptide NA peptide +HMDB03157 Guanidinosuccinic acid C5H9N3O4 87.5296555 MH2+ Inhouse_peptide NA peptide +HMDB00904 Citrulline C6H13N3O3 87.547844 MH2+ Inhouse_peptide NA peptide +HMDB03148 Argininic acid C6H13N3O3 87.547844 MH2+ Inhouse_peptide NA peptide +C13884 Strontium Sr 87.9056 NA KEGG NA NA +HMDB03642 Strontium [Sr]2+ 87.905609 NA HMDB2010 NA NA +HMDB03642 Strontium Sr 87.90561 http://www.hmdb.ca/metabolites/HMDB03642 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03642 Strontium Sr 87.90561 http://www.hmdb.ca/metabolites/HMDB03642 HMDB NA NA +HMDB03642 Strontium Sr 87.90561 http://www.hmdb.ca/metabolites/HMDB03642 PFEM_hmdb_metabocards_blood NA blood +HMDB03642 Strontium Sr 87.90561 HMDB03642 PFEM_hmdb_metabocards_official NA NA +MetaCyc00222 FeS iron-sulfur center [iron-sulfur cluster;FeS iron-sulfur cluster;FeS cluster;FeS center;FeS;thioxoiron;ferrous sulfide;] S1FE1 87.907013 NA metacyc NA NA +C00022 Pyruvate C3H4O3 88.016 NA KEGG NA NA +C00222 3-Oxopropanoate C3H4O3 88.016 NA KEGG NA NA +C12069 3-Hydroxypropenoate C3H4O3 88.016 NA KEGG NA NA +HMDB00243 Pyruvic acid C3H4O3 88.01604 http://www.hmdb.ca/metabolites/HMDB00243 PFEM_hmdb_metabocards_urine NA urine +HMDB00243 Pyruvic acid C3H4O3 88.01604 http://www.hmdb.ca/metabolites/HMDB00243 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00243 Pyruvic acid C3H4O3 88.01604 http://www.hmdb.ca/metabolites/HMDB00243 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00243 Pyruvic acid C3H4O3 88.01604 http://www.hmdb.ca/metabolites/HMDB00243 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00243 Pyruvic acid C3H4O3 88.01604 http://www.hmdb.ca/metabolites/HMDB00243 HMDB NA NA +HMDB00243 Pyruvic acid C3H4O3 88.01604 http://www.hmdb.ca/metabolites/HMDB00243 PFEM_hmdb_metabocards_blood NA blood +HMDB00243 Pyruvic acid C3H4O3 88.01604 HMDB00243 PFEM_hmdb_metabocards_official NA NA +MJ000260 3-Oxopropanoate C3H4O3 88.016043 NA MeJP NA NA +MJ000261 Pyruvate C3H4O3 88.016043 NA MeJP NA NA +MJ000262 3-Oxopropanoic acid C3H4O3 88.016043 NA MeJP NA NA +MJ000263 Pyruvic acid C3H4O3 88.016043 NA MeJP NA NA +MetaCyc00223 malonate semialdehyde [3-oxopropanoate;malonate-S-ald;] C3H4O3 88.016044 926-61-4 metacyc NA NA +MetaCyc00224 3-hydroxypropenoate [] C3H4O3 88.016044 503-66-2 metacyc NA NA +MetaCyc00225 pyruvate [BTS;α-ketopropionic acid;acetylformic acid;pyroracemic acid;2-oxopropanoic acid;pyruvic acid;2-oxopropanoate;2-oxo-propionic acid;] C3H4O3 88.016044 127-17-3 metacyc NA NA +HMDB00243 Pyruvic acid C3H4O3 88.016045 NA HMDB2010 NA NA +HMDB11111 Malonic semialdehyde C3H4O3 88.016045 NA HMDB2010 NA NA +CJneg0010 Ascorbic acid [(M-H)-(C2H4O2)-(CO)]- C3H3O3 88.016625 C18rt(min)=1.04 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0011 Pyruvic acid [(M-H)]- C3H3O3 88.016625 C18rt(min)=1.04 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0012 Glyceric acid [(M-H)-(H2O)]- C3H3O3 88.016625 C18rt(min)=0.92 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0010 Ascorbic acid [(M-H)-(C2H4O2)-(CO)]- C3H3O3 88.016625 C18rt(min)=1.04 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0011 Pyruvic acid [(M-H)]- C3H3O3 88.016625 C18rt(min)=1.04 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0012 Glyceric acid [(M-H)-(H2O)]- C3H3O3 88.016625 C18rt(min)=0.92 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +7612 ACE inhibitor GT 88.034 MH2+ Inhouse_peptide NA peptide +7621 ACE inhibitor TG 88.034 MH2+ Inhouse_peptide NA peptide +MJ000264 3-(Methylthio)-1-propene C4H8S 88.03467 NA MeJP NA NA +MetaCyc00226 tetrahydrothiophene [] C4H8S1 88.034671 110-01-0 metacyc NA NA +C00246 Butanoic acid C4H8O2 88.0524 NA KEGG NA NA +C00466 Acetoin C4H8O2 88.0524 NA KEGG NA NA +C00810 (R)-Acetoin C4H8O2 88.0524 NA KEGG NA NA +C00849 Ethyl acetate C4H8O2 88.0524 NA KEGG NA NA +C01769 (S)-Acetoin C4H8O2 88.0524 NA KEGG NA NA +C02632 2-Methylpropanoate C4H8O2 88.0524 NA KEGG NA NA +C14440 1,4-Dioxane C4H8O2 88.0524 NA KEGG NA NA +LABER046 Isobutyric NA 88.052429 NA PFEM_hmdb_metabocards_urine NA urine +LABER046 Isobutyric NA 88.052429 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER046 Isobutyric NA 88.052429 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER046 Isobutyric NA 88.052429 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER046 Isobutyric NA 88.052429 NA HMDB NA NA +HMDB00039 Butyric acid C4H8O2 88.052429 NA HMDB2010 NA NA +HMDB01873 Isobutyric acid C4H8O2 88.052429 NA HMDB2010 NA NA +HMDB03243 Acetoin C4H8O2 88.052429 NA HMDB2010 NA NA +LABER046 Isobutyric NA 88.052429 NA Inhouse_PFEM NA NA +LABER046 Isobutyric NA 88.052429 NA Inhousejuil11 NA NA +MJ000265 (R)-Acetoin C4H8O2 88.052429 NA MeJP NA NA +MJ000266 (S)-Acetoin C4H8O2 88.052429 NA MeJP NA NA +MJ000267 1-Hydroxy-2-butanone C4H8O2 88.052429 NA MeJP NA NA +MJ000268 2-Butene-1,4-diol C4H8O2 88.052429 NA MeJP NA NA +MJ000269 2-Methylpropanoate C4H8O2 88.052429 NA MeJP NA NA +MJ000270 2-Methylpropanoic acid C4H8O2 88.052429 NA MeJP NA NA +MJ000271 3-Hydroxy-2-butanone C4H8O2 88.052429 NA MeJP NA NA +MJ000272 Butanoate C4H8O2 88.052429 NA MeJP NA NA +MJ000273 Ethyl acetate C4H8O2 88.052429 NA MeJP NA NA +LABER046 Isobutyric NA 88.052429 NA PFEM_hmdb_metabocards_blood NA blood +LABER046 Isobutyric NA 88.052429 NA PFEM_hmdb_metabocards_official NA NA +HMDB00039 Butyric acid C4H8O2 88.05243 http://www.hmdb.ca/metabolites/HMDB00039 PFEM_hmdb_metabocards_urine NA urine +HMDB00039 Butyric acid C4H8O2 88.05243 http://www.hmdb.ca/metabolites/HMDB00039 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01873 Isobutyric acid C4H8O2 88.05243 http://www.hmdb.ca/metabolites/HMDB01873 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03243 Acetoin C4H8O2 88.05243 http://www.hmdb.ca/metabolites/HMDB03243 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00039 Butyric acid C4H8O2 88.05243 http://www.hmdb.ca/metabolites/HMDB00039 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00039 Butyric acid C4H8O2 88.05243 http://www.hmdb.ca/metabolites/HMDB00039 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00039 Butyric acid C4H8O2 88.05243 http://www.hmdb.ca/metabolites/HMDB00039 HMDB NA NA +HMDB01873 Isobutyric acid C4H8O2 88.05243 http://www.hmdb.ca/metabolites/HMDB01873 HMDB NA NA +HMDB03243 Acetoin C4H8O2 88.05243 http://www.hmdb.ca/metabolites/HMDB03243 HMDB NA NA +MetaCyc00227 isobutyrate [2-methylpropionic acid;2-methylpropanoic acid;isobutyric acid;isobutanoate;dimethylacetic acid;2-methylpropanoate;] C4H8O2 88.05243 79-31-2 metacyc NA NA +MetaCyc00228 ethylacetate [ethylether;ether;ethyl;acetic-acid-ethylester;acet-eth-ester;acet-ethylester;acet-et-ester;Acetic ester;] C4H8O2 88.05243 141-78-6 metacyc NA NA +MetaCyc00229 (S)-Acetoin [(S)-2-Acetoin;] C4H8O2 88.05243 NA metacyc NA NA +MetaCyc00230 butyrate [Butyrate (n-C4:0);2-butanoate;butyric acid;butanoic acid;ethylacetic acid;butanoate;1-propanecarboxylic acid;propylformic acid;] C4H8O2 88.05243 107-92-6 metacyc NA NA +MetaCyc00231 acetoin [(R)-acetoin;acetylmethylcarbinol;3-hydroxy-2-butanone;(R)-2-acetoin;(R)-3-hydroxy-2-butanone;(R)-dimethylketol;(R)-3-hydroxybutan-2-one;3-hydroxybutan-2-one;] C4H8O2 88.05243 513-86-0 metacyc NA NA +HMDB00039 Butyric acid C4H8O2 88.05243 http://www.hmdb.ca/metabolites/HMDB00039 PFEM_hmdb_metabocards_blood NA blood +HMDB01873 Isobutyric acid C4H8O2 88.05243 http://www.hmdb.ca/metabolites/HMDB01873 PFEM_hmdb_metabocards_blood NA blood +HMDB03243 Acetoin C4H8O2 88.05243 http://www.hmdb.ca/metabolites/HMDB03243 PFEM_hmdb_metabocards_blood NA blood +HMDB00039 Butyric acid C4H8O2 88.05243 HMDB00039 PFEM_hmdb_metabocards_official NA NA +HMDB01873 Isobutyric acid C4H8O2 88.05243 HMDB01873 PFEM_hmdb_metabocards_official NA NA +HMDB03243 Acetoin C4H8O2 88.05243 HMDB03243 PFEM_hmdb_metabocards_official NA NA +MetaCyc00232 alaninamide [] C3H8N2O1 88.063663 NA metacyc NA NA +C16364 N,N'-Dimethylurea C3H8N2O 88.0637 NA KEGG NA NA +C07328 3-Methylbutanol C5H12O 88.0888 NA KEGG NA NA +C11344 Methyl tert-butyl ether C5H12O 88.0888 NA KEGG NA NA +C16834 1-Pentanol C5H12O 88.0888 NA KEGG NA NA +HMDB06007 Isopentanol C5H12O 88.088814 NA HMDB2010 NA NA +MJ000274 1-Methoxy-2-methylpropane C5H12O 88.088815 NA MeJP NA NA +MJ000275 1-Pentanol C5H12O 88.088815 NA MeJP NA NA +MJ000276 2-Methyl-1-butanol C5H12O 88.088815 NA MeJP NA NA +MJ000277 2-Methyl-2-butanol C5H12O 88.088815 NA MeJP NA NA +MJ000278 3-Methyl-1-butanol C5H12O 88.088815 NA MeJP NA NA +MetaCyc00233 n-pentanol [n-pentyl-alcohol;pentyl-alcohol;1-pentanol;pentanol;pentan-1-ol;] C5H12O1 88.088815 71-41-0 metacyc NA NA +MetaCyc00234 2-methylbutanol [active amyl alcohol;2-methyl-n-butanol;2-methylbutyl alcohol;sec-butylcarbinol;] C5H12O1 88.088815 NA metacyc NA NA +MetaCyc00235 isoamyl alcohol [isopentanol;] C5H12O1 88.088815 NA metacyc NA NA +MetaCyc00236 3-methylbutanol [] C5H12O1 88.088815 NA metacyc NA NA +C00134 Putrescine C4H12N2 88.1 NA KEGG NA NA +LABER037 Putrescine NA 88.100044 RT 1.5 fragt 89, 72, 30 PFEM_hmdb_metabocards_urine NA urine +LABER037 Putrescine NA 88.100044 RT 1.5 fragt 89, 72, 30 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER037 Putrescine NA 88.100044 RT 1.5 fragt 89, 72, 30 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER037 Putrescine NA 88.100044 RT 1.5 fragt 89, 72, 30 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER037 Putrescine NA 88.100044 RT 1.5 fragt 89, 72, 30 HMDB NA NA +HMDB01414 Putrescine C4H12N2 88.100044 NA HMDB2010 NA NA +LABER037 Putrescine NA 88.100044 RT 1.5 fragt 89, 72, 30 Inhouse_PFEM NA NA +LABER037 Putrescine NA 88.100044 RT 1.5 fragt 89, 72, 30 Inhousejuil11 NA NA +LABER037 Putrescine NA 88.100044 RT 1.5 fragt 89, 72, 30 PFEM_hmdb_metabocards_blood NA blood +LABER037 Putrescine NA 88.100044 RT 1.5 fragt 89, 72, 30 PFEM_hmdb_metabocards_official NA NA +MJ000279 Putrescine C4H12N2 88.100048 NA MeJP NA NA +MJ000280 1,4-Butanediamine C4H12N2 88.100048 NA MeJP NA NA +MetaCyc00237 putrescine [1,4-diaminobutane;1,4-butanediamine;tetramethylenediamine;putrescine;] C4H12N2 88.100048 110-60-1 metacyc NA NA +HMDB01414 Putrescine C4H12N2 88.10005 http://www.hmdb.ca/metabolites/HMDB01414 PFEM_hmdb_metabocards_urine NA urine +HMDB01414 Putrescine C4H12N2 88.10005 http://www.hmdb.ca/metabolites/HMDB01414 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01414 Putrescine C4H12N2 88.10005 http://www.hmdb.ca/metabolites/HMDB01414 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01414 Putrescine C4H12N2 88.10005 http://www.hmdb.ca/metabolites/HMDB01414 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01414 Putrescine C4H12N2 88.10005 http://www.hmdb.ca/metabolites/HMDB01414 HMDB NA NA +HMDB01414 Putrescine C4H12N2 88.10005 http://www.hmdb.ca/metabolites/HMDB01414 PFEM_hmdb_metabocards_blood NA blood +HMDB01414 Putrescine C4H12N2 88.10005 HMDB01414 PFEM_hmdb_metabocards_official NA NA +C00824 Iron-sulfur FeHS 88.9148 NA KEGG NA NA +MJ000281 Hydroxyiminoacetic acid C2H3NO3 89.011292 NA MeJP NA NA +MetaCyc00238 oxamate [] C2H3N1O3 89.011293 471-47-6 metacyc NA NA +C01444 Oxamate C2H3NO3 89.0113 NA KEGG NA NA +C01445 Poly(G) C20H25N10O12P 89.0113 NA KEGG NA NA +C01446 Pro-Xaa C7H11N2O3R 89.0113 NA KEGG NA NA +HMDB00078 Cysteinylglycine C5H10N2O3S 89.020607 MH2+ Inhouse_peptide NA peptide +EUR289 Homocysteine F5 F5 89.033475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR289 Homocysteine F5 NA 89.033475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR289 Homocysteine F5 F5 89.033475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR289 Homocysteine F5 NA 89.033475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR289 Homocysteine F5 F5 89.033475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR289 Homocysteine F5 NA 89.033475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR289 Homocysteine F5 F5 89.033475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR289 Homocysteine F5 F5 89.033475 standards wishlist analysés sur QTOF HMDB NA NA +EUR289 Homocysteine F5 F5 89.033475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR289 Homocysteine F5 NA 89.033475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR289 Homocysteine F5 F5 89.033475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR289 Homocysteine F5 F5 89.033475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +LABER059 Sarcosine NA 89.047676 RT 1.99 fragt PFEM_hmdb_metabocards_urine NA urine +LABER059 Sarcosine NA 89.047676 RT 1.99 fragt BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER059 Sarcosine NA 89.047676 RT 1.99 fragt Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER059 Sarcosine NA 89.047676 RT 1.99 fragt banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER059 Sarcosine NA 89.047676 RT 1.99 fragt HMDB NA NA +HMDB00056 Beta-Alanine C3H7NO2 89.047676 NA HMDB2010 NA NA +HMDB00161 L-Alanine C3H7NO2 89.047676 NA HMDB2010 NA NA +HMDB00271 Sarcosine C3H7NO2 89.047676 NA HMDB2010 NA NA +HMDB01310 D-Alanine C3H7NO2 89.047676 NA HMDB2010 NA NA +LABER059 Sarcosine NA 89.047676 RT 1.99 fragt Inhouse_PFEM NA NA +LABER059 Sarcosine NA 89.047676 RT 1.99 fragt Inhousejuil11 NA NA +LABER059 Sarcosine NA 89.047676 RT 1.99 fragt PFEM_hmdb_metabocards_blood NA blood +LABER059 Sarcosine NA 89.047676 RT 1.99 fragt PFEM_hmdb_metabocards_official NA NA +MJ000282 Alanine C3H7NO2 89.047678 NA MeJP NA NA +MJ000283 D-Alanine C3H7NO2 89.047678 NA MeJP NA NA +MJ000284 L-Alanine C3H7NO2 89.047678 NA MeJP NA NA +MJ000285 Sarcosine C3H7NO2 89.047678 NA MeJP NA NA +MJ000286 beta-Alanine C3H7NO2 89.047678 NA MeJP NA NA +MJ000287 2-Methylaminoacetic acid C3H7NO2 89.047678 NA MeJP NA NA +MJ000288 3-Aminopropanoic acid C3H7NO2 89.047678 NA MeJP NA NA +MJ000289 Alanine C3H7NO2 89.047678 NA MeJP NA NA +MJ000290 Ethyl carbamate C3H7NO2 89.047678 NA MeJP NA NA +MetaCyc00239 urethan [urethane;ethyl carbamate;] C3H7N1O2 89.047678 NA metacyc NA NA +MetaCyc00240 sarcosine [N-methylglycine;] C3H7N1O2 89.047678 107-97-1 metacyc NA NA +MetaCyc00241 2-nitropropane [] C3H7N1O2 89.047678 79-46-9 metacyc NA NA +MetaCyc00242 L-alanine [alanine;L-α-alanine;] C3H7N1O2 89.047678 56-41-7 metacyc NA NA +MetaCyc00243 D-alanine [] C3H7N1O2 89.047678 338-69-2 metacyc NA NA +MetaCyc00244 β-alanine [β-alanine;3-aminopropanoate;] C3H7N1O2 89.047678 107-95-9 metacyc NA NA +HMDB00056 beta-Alanine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00056 PFEM_hmdb_metabocards_urine NA urine +HMDB00161 L-Alanine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00161 PFEM_hmdb_metabocards_urine NA urine +HMDB00271 Sarcosine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00271 PFEM_hmdb_metabocards_urine NA urine +HMDB00056 beta-Alanine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00056 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00161 L-Alanine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00161 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00271 Sarcosine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00271 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00056 beta-Alanine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00056 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00161 L-Alanine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00161 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00271 Sarcosine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00271 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00056 beta-Alanine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00056 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00161 L-Alanine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00161 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00271 Sarcosine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00271 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00056 beta-Alanine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00056 HMDB NA NA +HMDB00161 L-Alanine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00161 HMDB NA NA +HMDB00271 Sarcosine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00271 HMDB NA NA +HMDB01310 D-Alanine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB01310 HMDB NA NA +HMDB00056 Beta-Alanine C3H7NO2 89.04768 Aromatic/Heterocyclic glycine conjugates ;SYN:((2-hydroxybenzoyl)amino)acetic acid; (2-Hydroxybenzoyl)glycine; 2-Hydroxybenzoylglycine; 2-Hydroxyhippurate; 2-Hydroxyhippuric acid; 2-hydroxybenzoylaminoacetate; 2-hydroxybenzoylaminoacetic acid; N-(2-Hydroxybenzoyl)-glycine; N-Salicyloylglycine; N-o-Hydroxybenzoylglycine; Salicylglycine; Salicyloylglycine; Salicylurate; Salicyluric acid; [(2-Hydroxybenzoyl)amino]acetate; [(2-Hydroxybenzoyl)amino]acetic acid; o-Hydroxyhippurate; o-Hydroxyhippuric acid; o-hydroxy-Hippurate; o-hydroxy-Hippuric acid; ortho-Hydroxyhippurate; ortho-Hydroxyhippuric acidH2Blood; Urine Inhouse_peptide NA peptide +HMDB00161 L-Alanine C3H7NO2 89.04768 Polypeptides ;SYN:Hypertensin; 1-L-Aspasaginyl-5-L-valyl angiotensin octapeptide; Angiotonin; Ang II; Asp-arg-val-TYR-ile-his-pro-phe; 1-8-Angiotensin I; Angiotensin 2; Human angiotensin II; Angiotensin II (human); Angiotensin II (mouse); Ile(5)-angiotensin IIH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00271 Sarcosine C3H7NO2 89.04768 NA ;SYN:3-Carboxylpyridine; 3-Carboxypyridine; 3-Pyridinecarboxylate; 3-Pyridinecarboxylic acid; 3-Pyridylcarboxylate; 3-Pyridylcarboxylic acid; Akotin; Apelagrin; Daskil; Efacin; Enduracin; Linic; Niac; Niacor; Nicacid; Nicangin; Nico-Span; Nicodelmine; Niconacid; Nicosan 3; Nicotinate; Nicotinic acid; Nicotinipca; Nicyl; Nyclin; Pellagrin; Pelonin; Slo-niacin; niacin; niacine; nicamin; nicobid; nicocap; nicolar; wampocapH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00056 beta-Alanine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00056 PFEM_hmdb_metabocards_blood NA blood +HMDB00161 L-Alanine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00161 PFEM_hmdb_metabocards_blood NA blood +HMDB00271 Sarcosine C3H7NO2 89.04768 http://www.hmdb.ca/metabolites/HMDB00271 PFEM_hmdb_metabocards_blood NA blood +HMDB00056 beta-Alanine C3H7NO2 89.04768 HMDB00056 PFEM_hmdb_metabocards_official NA NA +HMDB00161 L-Alanine C3H7NO2 89.04768 HMDB00161 PFEM_hmdb_metabocards_official NA NA +HMDB00271 Sarcosine C3H7NO2 89.04768 HMDB00271 PFEM_hmdb_metabocards_official NA NA +HMDB01310 D-Alanine C3H7NO2 89.04768 HMDB01310 PFEM_hmdb_metabocards_official NA NA +LABER009 Alanine C3H7NO2 89.0477 RT 1.78 90, 44 PFEM_hmdb_metabocards_urine NA urine +EUR017 Alanine C3H7NO2 89.0477 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER009 Alanine C3H7NO2 89.0477 RT 1.78 90, 44 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR017 Alanine C3H7NO2 89.0477 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER009 Alanine C3H7NO2 89.0477 RT 1.78 90, 44 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR017 Alanine C3H7NO2 89.0477 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER009 Alanine C3H7NO2 89.0477 RT 1.78 90, 44 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER009 Alanine C3H7NO2 89.0477 RT 1.78 90, 44 HMDB NA NA +LABER009 Alanine C3H7NO2 89.0477 RT 1.78 90, 44 Inhouse_PFEM NA NA +EUR017 Alanine C3H7NO2 89.0477 Wishlist Inhousejuil11 NA NA +LABER009 Alanine C3H7NO2 89.0477 RT 1.78 90, 44 Inhousejuil11 NA NA +C00041 L-Alanine C3H7NO2 89.0477 NA KEGG NA NA +C00099 beta-Alanine C3H7NO2 89.0477 NA KEGG NA NA +C00133 D-Alanine C3H7NO2 89.0477 NA KEGG NA NA +C00213 Sarcosine C3H7NO2 89.0477 NA KEGG NA NA +C01401 Alanine C3H7NO2 89.0477 NA KEGG NA NA +C01402 Anilide C7H6NOR 89.0477 NA KEGG NA NA +C01537 Urethane C3H7NO2 89.0477 NA KEGG NA NA +C01538 Vimentin C3H7NO2 89.0477 NA KEGG NA NA +C01539 Viologen C3H7NO2 89.0477 NA KEGG NA NA +C02116 2-Nitropropane C3H7NO2 89.0477 NA KEGG NA NA +C11488 HMMF C3H7NO2 89.0477 NA KEGG NA NA +PJ000002 A C3H7NO2 89.0477 NA PeJP NA NA +LABER009 Alanine C3H7NO2 89.0477 RT 1.78 90, 44 PFEM_hmdb_metabocards_blood NA blood +LABER009 Alanine C3H7NO2 89.0477 RT 1.78 90, 44 PFEM_hmdb_metabocards_official NA NA +EUR345 pantothenic acid F5 F5 89.049075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR345 Acide pantothenique F5 NA 89.049075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR345 pantothenic acid F5 F5 89.049075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR345 Acide pantothenique F5 NA 89.049075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR345 pantothenic acid F5 F5 89.049075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR345 Acide pantothenique F5 NA 89.049075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR345 pantothenic acid F5 F5 89.049075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR345 pantothenic acid F5 F5 89.049075 standards wishlist analysés sur QTOF HMDB NA NA +EUR345 pantothenic acid F5 F5 89.049075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR345 Acide pantothenique F5 NA 89.049075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR345 pantothenic acid F5 F5 89.049075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR345 pantothenic acid F5 F5 89.049075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR432 Alanine F1 NA 89.049675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR432 Alanine F1 NA 89.049675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR432 Alanine F1 NA 89.049675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR432 Alanine F1 NA 89.049675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR432 Alanine F1 NA 89.049675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR432 Alanine F1 NA 89.049675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR432 Alanine F1 NA 89.049675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR432 Alanine F1 NA 89.049675 standards wishlist analysés sur QTOF HMDB NA NA +EUR432 Alanine F1 NA 89.049675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR432 Alanine F1 NA 89.049675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR432 Alanine F1 NA 89.049675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR432 Alanine F1 NA 89.049675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C06383 N-(Aminomethyl)urea C2H7N3O 89.0589 NA KEGG NA NA +MJ000291 1-Amino-2-methyl-2-propanol C4H11NO 89.084063 NA MeJP NA NA +MJ000292 2-(Dimethylamino)ethanol C4H11NO 89.084063 NA MeJP NA NA +MJ000293 (Hydroxymethyl)trimethylammonium(1+) C4H12NO(+) 89.084064 NA MeJP NA NA +MetaCyc00245 N-dimethylethanolamine [] C4H11N1O1 89.084064 NA metacyc NA NA +HMDB01475 Zirconium Zr 89.9047 http://www.hmdb.ca/metabolites/HMDB01475 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01475 Zirconium Zr 89.9047 http://www.hmdb.ca/metabolites/HMDB01475 HMDB NA NA +HMDB01475 Zirconium Zr 89.9047 http://www.hmdb.ca/metabolites/HMDB01475 PFEM_hmdb_metabocards_blood NA blood +HMDB01475 Zirconium Zr 89.9047 HMDB01475 PFEM_hmdb_metabocards_official NA NA +HMDB01475 Zirconium [Zr]4+ 89.904701 NA HMDB2010 NA NA +C06613 trans-3-Chloroallyl aldehyde C3H3ClO 89.9872 NA KEGG NA NA +C16348 cis-3-Chloroallyl aldehyde C3H3ClO 89.9872 NA KEGG NA NA +HMDB06917 Cis-3-Chloroallyl aldehyde C3H3ClO 89.98724 http://www.hmdb.ca/metabolites/HMDB06917 HMDB NA NA +HMDB06920 trans-3-Chloroallyl aldehyde C3H3ClO 89.98724 http://www.hmdb.ca/metabolites/HMDB06920 HMDB NA NA +HMDB06917 Cis-3-Chloroallyl aldehyde C3H3ClO 89.98724 HMDB06917 PFEM_hmdb_metabocards_official NA NA +HMDB06920 trans-3-Chloroallyl aldehyde C3H3ClO 89.98724 HMDB06920 PFEM_hmdb_metabocards_official NA NA +MJ000294 3-Chloroallyl aldehyde C3H3ClO 89.987242 NA MeJP NA NA +C00209 Oxalate C2H2O4 89.9953 NA KEGG NA NA +HMDB02329 Oxalic acid C2H2O4 89.995308 NA HMDB2010 NA NA +MJ000295 Oxalate C2H2O4 89.995308 NA MeJP NA NA +MJ000296 Oxalic acid C2H2O4 89.995308 NA MeJP NA NA +MetaCyc00246 oxalate [oxalic acid;ethanedioic acid;] C2H2O4 89.995309 144-62-7 metacyc NA NA +HMDB02329 Oxalic acid C2H2O4 89.99531 http://www.hmdb.ca/metabolites/HMDB02329 PFEM_hmdb_metabocards_urine NA urine +HMDB02329 Oxalic acid C2H2O4 89.99531 http://www.hmdb.ca/metabolites/HMDB02329 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02329 Oxalic acid C2H2O4 89.99531 http://www.hmdb.ca/metabolites/HMDB02329 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02329 Oxalic acid C2H2O4 89.99531 http://www.hmdb.ca/metabolites/HMDB02329 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02329 Oxalic acid C2H2O4 89.99531 http://www.hmdb.ca/metabolites/HMDB02329 HMDB NA NA +HMDB02329 Oxalic acid C2H2O4 89.99531 http://www.hmdb.ca/metabolites/HMDB02329 PFEM_hmdb_metabocards_blood NA blood +HMDB02329 Oxalic acid C2H2O4 89.99531 HMDB02329 PFEM_hmdb_metabocards_official NA NA +CJneg0013 Malonic acid [(2M-H)-(C4H6O4)]- C2HO4 89.995825 C18rt(min)=1.04 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0014 Oxalic acid [(M-H)]- C2HO4 89.995825 C18rt(min)=0.95 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0013 Malonic acid [(2M-H)-(C4H6O4)]- C2HO4 89.995825 C18rt(min)=1.04 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0014 Oxalic acid [(M-H)]- C2HO4 89.995825 C18rt(min)=0.95 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +C08389 Propanethial S-oxide C3H6OS 90.0139 NA KEGG NA NA +MetaCyc00247 carboxymethoxylamine [(aminooxy)acetic acid;(aminooxy)acetate;hydroxylamine-O-acetic acid;] C2H4N1O3 90.019118 645-88-5 metacyc NA NA +HMDB03269 Nicotinuric acid C8H8N2O3 90.0267485 MH2+ Inhouse_peptide NA peptide +HMDB00190 L-Lactic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB00190 PFEM_hmdb_metabocards_urine NA urine +HMDB00700 Hydroxypropionic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB00700 PFEM_hmdb_metabocards_urine NA urine +HMDB01311 D-Lactic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB01311 PFEM_hmdb_metabocards_urine NA urine +HMDB01882 Dihydroxyacetone C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB01882 PFEM_hmdb_metabocards_urine NA urine +HMDB00190 L-Lactic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB00190 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00700 Hydroxypropionic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB00700 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01051 Glyceraldehyde C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB01051 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01311 D-Lactic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB01311 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00190 L-Lactic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB00190 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00700 Hydroxypropionic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB00700 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01311 D-Lactic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB01311 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01882 Dihydroxyacetone C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB01882 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00190 L-Lactic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB00190 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00700 Hydroxypropionic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB00700 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01311 D-Lactic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB01311 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01882 Dihydroxyacetone C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB01882 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00190 L-Lactic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB00190 HMDB NA NA +HMDB00700 Hydroxypropionic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB00700 HMDB NA NA +HMDB01051 Glyceraldehyde C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB01051 HMDB NA NA +HMDB01311 D-Lactic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB01311 HMDB NA NA +HMDB01882 Dihydroxyacetone C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB01882 HMDB NA NA +HMDB03328 b-Hydroxypropionic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB03328 HMDB NA NA +HMDB00190 L-Lactic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB00190 PFEM_hmdb_metabocards_blood NA blood +HMDB00700 Hydroxypropionic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB00700 PFEM_hmdb_metabocards_blood NA blood +HMDB01051 Glyceraldehyde C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB01051 PFEM_hmdb_metabocards_blood NA blood +HMDB01311 D-Lactic acid C3H6O3 90.03169 http://www.hmdb.ca/metabolites/HMDB01311 PFEM_hmdb_metabocards_blood NA blood +HMDB00190 L-Lactic acid C3H6O3 90.03169 HMDB00190 PFEM_hmdb_metabocards_official NA NA +HMDB00700 Hydroxypropionic acid C3H6O3 90.03169 HMDB00700 PFEM_hmdb_metabocards_official NA NA +HMDB01051 Glyceraldehyde C3H6O3 90.03169 HMDB01051 PFEM_hmdb_metabocards_official NA NA +HMDB01311 D-Lactic acid C3H6O3 90.03169 HMDB01311 PFEM_hmdb_metabocards_official NA NA +HMDB01882 Dihydroxyacetone C3H6O3 90.03169 HMDB01882 PFEM_hmdb_metabocards_official NA NA +HMDB03328 b-Hydroxypropionic acid C3H6O3 90.03169 HMDB03328 PFEM_hmdb_metabocards_official NA NA +HMDB00190 L-Lactic acid C3H6O3 90.031693 NA HMDB2010 NA NA +HMDB00700 Hydroxypropionic acid C3H6O3 90.031693 NA HMDB2010 NA NA +HMDB01051 Glyceraldehyde C3H6O3 90.031693 NA HMDB2010 NA NA +HMDB01311 D-Lactic acid C3H6O3 90.031693 NA HMDB2010 NA NA +HMDB01882 Dihydroxyacetone C3H6O3 90.031693 NA HMDB2010 NA NA +MJ000297 1,3-Dihydroxy-2-propanone C3H6O3 90.031694 NA MeJP NA NA +MJ000298 2-Hydroxypropanoic acid C3H6O3 90.031694 NA MeJP NA NA +MJ000299 (R)-Lactate C3H6O3 90.031694 NA MeJP NA NA +MJ000300 (S)-Lactate C3H6O3 90.031694 NA MeJP NA NA +MJ000301 3-Hydroxypropanoate C3H6O3 90.031694 NA MeJP NA NA +MJ000302 D-Glyceraldehyde C3H6O3 90.031694 NA MeJP NA NA +MJ000303 Glycerone C3H6O3 90.031694 NA MeJP NA NA +MetaCyc00248 lactate [lactic acid;L(+)-lactate;(S)-lactate;L-lactate;lactasol;lac;2-hydroxypropanoic acid;2-hydroxypropionic acid;] C3H6O3 90.031694 79-33-4 metacyc NA NA +MetaCyc00249 L-glyceraldehyde [] C3H6O3 90.031694 NA metacyc NA NA +MetaCyc00250 glyceraldehyde [D-glyceraldehyde;α,β-dihydroxypropionaldehyde;] C3H6O3 90.031694 367-47-5 metacyc NA NA +MetaCyc00251 dihydroxy-acetone [glycerone;1,3-dihydroxyacetone;] C3H6O3 90.031694 96-26-4 metacyc NA NA +MetaCyc00252 D-lactate [(R)-2-hydroxypropanate;(R)-lactate;lactate;] C3H6O3 90.031694 10326-41-7 metacyc NA NA +MetaCyc00253 3-hydroxy-propionate [3-Hydroxypropanoate;β-hydroxypropionate;3-Hydroxypropanoic acid;3-Hydropropionic acid;Hydracrylic acid;] C3H6O3 90.031694 503-66-2 metacyc NA NA +EUR197 Lactate C3H6O3 90.031695 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR197 Lactate C3H6O3 90.031695 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR197 Lactate C3H6O3 90.031695 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR197 Lactate C3H6O3 90.031695 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR197 Lactate C3H6O3 90.031695 Wishlist HMDB NA NA +EUR197 Lactate C3H6O3 90.031695 Wishlist Inhouse_PFEM NA NA +EUR197 Lactate C3H6O3 90.031695 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR197 Lactate C3H6O3 90.031695 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR197 Lactate C3H6O3 90.0317 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR197 Lactate C3H6O3 90.0317 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR197 Lactate C3H6O3 90.0317 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR197 Lactate C3H6O3 90.0317 Wishlist Inhousejuil11 NA NA +C00184 Glycerone C3H6O3 90.0317 NA KEGG NA NA +C00186 (S)-Lactate C3H6O3 90.0317 NA KEGG NA NA +C00256 (R)-Lactate C3H6O3 90.0317 NA KEGG NA NA +C00577 D-Glyceraldehyde C3H6O3 90.0317 NA KEGG NA NA +C01013 3-Hydroxypropanoate C3H6O3 90.0317 NA KEGG NA NA +C01432 Lactate C3H6O3 90.0317 NA KEGG NA NA +C02154 Glyceraldehyde C3H6O3 90.0317 NA KEGG NA NA +C02426 L-Glyceraldehyde C3H6O3 90.0317 NA KEGG NA NA +CJneg0015 Lactic acid [(M-H)]- C3H5O3 90.032225 C18rt(min)=1.1 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0015 Lactic acid [(M-H)]- C3H5O3 90.032225 C18rt(min)=1.1 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C02390 Methylazoxymethanol C2H6N2O2 90.0429 NA KEGG NA NA +C02391 Carboxylic ester CO2R2 90.0429 NA KEGG NA NA +C06384 N-(Hydroxymethyl)urea C2H6N2O2 90.0429 NA KEGG NA NA +MetaCyc00254 N-hydroxymethylurea [] C2H6N2O2 90.042927 1000-82-4 metacyc NA NA +MetaCyc00255 methylazoxymethanol [CH(3)-N(O)=N-CH(2)OH;methyl-ONN-azoxymethanol;] C2H6N2O2 90.042927 NA metacyc NA NA +C02272 Diethyl sulfide C4H10S 90.0503 NA KEGG NA NA +HMDB03156 2,3-Butanediol C4H10O2 90.068077 NA HMDB2010 NA NA +MJ000304 (R,R)-Butane-2,3-diol C4H10O2 90.068079 NA MeJP NA NA +MJ000305 (S,S)-Butane-2,3-diol C4H10O2 90.068079 NA MeJP NA NA +MJ000306 1,3-Butanediol C4H10O2 90.068079 NA MeJP NA NA +MJ000307 2,3-Butanediol C4H10O2 90.068079 NA MeJP NA NA +HMDB03156 2,3-Butanediol C4H10O2 90.06808 http://www.hmdb.ca/metabolites/HMDB03156 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03156 2,3-Butanediol C4H10O2 90.06808 http://www.hmdb.ca/metabolites/HMDB03156 HMDB NA NA +MetaCyc00256 (S,S)-Butane-2,3-diol [(S,S)-2,3-Butanediol;(S,S)-2,3-Butylene glycol;] C4H10O2 90.06808 19132-06-0 metacyc NA NA +MetaCyc00257 2,3-butanediol [D(-)-2,3-butanediol;2,3-butylene glycol;(R,R)-2,3-butanediol;butanediol;(R,R)-Butane-2,3-diol;(R,R)-2,3-Butylene glycol;] C4H10O2 90.06808 24347-58-8 metacyc NA NA +HMDB03156 2,3-Butanediol C4H10O2 90.06808 http://www.hmdb.ca/metabolites/HMDB03156 PFEM_hmdb_metabocards_blood NA blood +HMDB03156 2,3-Butanediol C4H10O2 90.06808 HMDB03156 PFEM_hmdb_metabocards_official NA NA +C03044 (R,R)-Butane-2,3-diol C4H10O2 90.0681 NA KEGG NA NA +C03046 (S,S)-Butane-2,3-diol C4H10O2 90.0681 NA KEGG NA NA +C14687 2-Ethoxyethanol C4H10O2 90.0681 NA KEGG NA NA +MetaCyc00258 N4-hydroxy-1-aminopropane [] C3H10N2O1 90.079313 NA metacyc NA NA +HMDB00158 L-Tyrosine C9H11NO3 90.536949 MH2+ Inhouse_peptide NA peptide +MJ000308 N-Hydroxyglycine C2H5NO3 91.026943 NA MeJP NA NA +MetaCyc00259 aminooxyacetate [] C2H5N1O3 91.026943 NA metacyc NA NA +MJ000309 1-Amino-2-propanethiol C3H9NS 91.045569 NA MeJP NA NA +C06057 3-Aminopropane-1,2-diol C3H9NO2 91.0633 NA KEGG NA NA +C06058 Nitroalkane NO2R 91.0633 NA KEGG NA NA +C06059 Cyclic amidines NO2R 91.0633 NA KEGG NA NA +C06060 Amidines CH3N2R 91.0633 NA KEGG NA NA +C06061 Nitrogenous compounds NH2R 91.0633 NA KEGG NA NA +C06062 Ceramide phosphoethanolamine C21H42N2O6PR 91.0633 NA KEGG NA NA +MJ000310 3-Aminopropane-1,2-diol C3H9NO2 91.063328 NA MeJP NA NA +MetaCyc00260 tetramethylammonium hydroxide [TMAH;] C4H13N1O1 91.099714 NA metacyc NA NA +C02086 Thioglycolate C2H4O2S 91.9932 NA KEGG NA NA +MetaCyc00261 thioglycolate [thioglycolic acid;mercaptoacetic acid;] C2H4O2S1 91.9932 NA metacyc NA NA +HMDB06913 cis-3-Chloro-2-propene-1-ol C3H5ClO 92.00289 http://www.hmdb.ca/metabolites/HMDB06913 HMDB NA NA +HMDB06918 trans-3-Chloroallyl alcohol C3H5ClO 92.00289 http://www.hmdb.ca/metabolites/HMDB06918 HMDB NA NA +HMDB06913 cis-3-Chloro-2-propene-1-ol C3H5ClO 92.00289 HMDB06913 PFEM_hmdb_metabocards_official NA NA +HMDB06918 trans-3-Chloroallyl alcohol C3H5ClO 92.00289 HMDB06918 PFEM_hmdb_metabocards_official NA NA +MJ000311 cis-3-Chloro-2-propene-1-ol C3H5ClO 92.002892 NA MeJP NA NA +MJ000312 trans-3-Chloro-2-propene-1-ol C3H5ClO 92.002892 NA MeJP NA NA +C06611 trans-3-Chloro-2-propene-1-ol C3H5ClO 92.0029 NA KEGG NA NA +C06612 cis-3-Chloro-2-propene-1-ol C3H5ClO 92.0029 NA KEGG NA NA +C14449 Epichlorohydrin C3H5ClO 92.0029 NA KEGG NA NA +MJ000313 2,4-Hexadiynal C6H4O 92.026214 NA MeJP NA NA +HMDB01565 Phosphorylcholine C5H15NO4P 92.036934 MH2+ Inhouse_peptide NA peptide +EUR008 Glycerol C3H8O3 92.0473 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR008 Glycerol C3H8O3 92.0473 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR008 Glycerol C3H8O3 92.0473 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR008 Glycerol C3H8O3 92.0473 Wishlist Inhousejuil11 NA NA +C00116 Glycerol C3H8O3 92.0473 NA KEGG NA NA +HMDB00131 Glycerol C3H8O3 92.04734 http://www.hmdb.ca/metabolites/HMDB00131 PFEM_hmdb_metabocards_urine NA urine +HMDB00131 Glycerol C3H8O3 92.04734 http://www.hmdb.ca/metabolites/HMDB00131 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00131 Glycerol C3H8O3 92.04734 http://www.hmdb.ca/metabolites/HMDB00131 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00131 Glycerol C3H8O3 92.04734 http://www.hmdb.ca/metabolites/HMDB00131 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00131 Glycerol C3H8O3 92.04734 http://www.hmdb.ca/metabolites/HMDB00131 HMDB NA NA +HMDB00131 Glycerol C3H8O3 92.04734 http://www.hmdb.ca/metabolites/HMDB00131 PFEM_hmdb_metabocards_blood NA blood +HMDB00131 Glycerol C3H8O3 92.04734 HMDB00131 PFEM_hmdb_metabocards_official NA NA +HMDB00131 Glycerol C3H8O3 92.04734 NA HMDB2010 NA NA +MJ000314 Glycerol C3H8O3 92.047344 NA MeJP NA NA +MetaCyc00262 glycerol [1,2,3-trihydroxypropane;glycerin;1,2,3-trihydroxypropanol;] C3H8O3 92.047344 56-81-5 metacyc NA NA +EUR008 Glycerol C3H8O3 92.047345 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR008 Glycerol C3H8O3 92.047345 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR008 Glycerol C3H8O3 92.047345 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR008 Glycerol C3H8O3 92.047345 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR008 Glycerol C3H8O3 92.047345 Wishlist HMDB NA NA +EUR008 Glycerol C3H8O3 92.047345 Wishlist Inhouse_PFEM NA NA +EUR008 Glycerol C3H8O3 92.047345 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR008 Glycerol C3H8O3 92.047345 Wishlist PFEM_hmdb_metabocards_official NA NA +C01455 Toluene C7H8 92.0626 NA KEGG NA NA +MJ000315 Toluene C7H8 92.0626 NA MeJP NA NA +MetaCyc00263 toluene [methylbenzol;monomethyl benzene;antisal 1a;tolu-sol;methacide;phenyl methane;methylbenzene;toluol;] C7H8 92.0626 108-88-3 metacyc NA NA +HMDB00272 Phosphoserine C3H8NO6P 92.504463 MH2+ Inhouse_peptide NA peptide +MetaCyc00264 strange group [] C2H5O2S1 93.001025 NA metacyc NA NA +3177 dipeptidyl-aminopeptidase IV inhibitor AP 93.0445 MH2+ Inhouse_peptide NA peptide +3179 dipeptidyl-aminopeptidase IV inhibitor PA 93.0445 MH2+ Inhouse_peptide NA peptide +7584 ACE inhibitor AP 93.0445 MH2+ Inhouse_peptide NA peptide +C00292 Aniline C6H7N 93.0578 NA KEGG NA NA +C00293 Glucose C6H7N 93.0578 NA KEGG NA NA +C14447 2-Methylpyridine C6H7N 93.0578 NA KEGG NA NA +HMDB03012 Aniline C6H7N 93.057846 NA HMDB2010 NA NA +MJ000316 2-Methylpyridine C6H7N 93.057849 NA MeJP NA NA +MetaCyc00265 aniline [benzenamine;aminobenzene;phenylamine;] C6H7N1 93.057849 62-53-3 metacyc NA NA +HMDB03012 Aniline C6H7N 93.05785 http://www.hmdb.ca/metabolites/HMDB03012 HMDB NA NA +HMDB03012 Aniline C6H7N 93.05785 HMDB03012 PFEM_hmdb_metabocards_official NA NA +C07755 Magnesium chloride MgCl2 93.9227 NA KEGG NA NA +MetaCyc00266 MgCl2 [] MG1CL2 93.922747 NA metacyc NA NA +C11089 Dichloroacetylene C2Cl2 93.9377 NA KEGG NA NA +MJ000317 Bromomethane CH3Br 93.941812 NA MeJP NA NA +MJ000318 Chloroacetic acid C2H3ClO2 93.982157 NA MeJP NA NA +MetaCyc00267 chloroacetate [chloroacetic acid;] C2H3O2CL1 93.982157 NA metacyc NA NA +C06755 Chloroacetic acid C2H3ClO2 93.9822 NA KEGG NA NA +HMDB05879 Dimethyldisulfide C2H6S2 93.991089 NA HMDB2010 NA NA +HMDB05879 Dimethyldisulfide C2H6S2 93.99109 http://www.hmdb.ca/metabolites/HMDB05879 HMDB NA NA +HMDB05879 Dimethyldisulfide C2H6S2 93.99109 HMDB05879 PFEM_hmdb_metabocards_official NA NA +MJ000319 Dimethyl disulfide C2H6S2 93.991091 NA MeJP NA NA +C08371 Dimethyl disulfide C2H6S2 93.9911 NA KEGG NA NA +PARAC009 Dimethyl sulfone C2H6O2S 94.0088 RT3.7 PFEM_hmdb_metabocards_urine NA urine +PARAC009 Dimethyl sulfone C2H6O2S 94.0088 RT3.7 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC009 Dimethyl sulfone C2H6O2S 94.0088 RT3.7 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC009 Dimethyl sulfone C2H6O2S 94.0088 RT3.7 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC009 Dimethyl sulfone C2H6O2S 94.0088 RT3.7 HMDB NA NA +PARAC009 Dimethyl sulfone C2H6O2S 94.0088 RT3.7 Inhouse_PFEM NA NA +PARAC009 Dimethyl sulfone C2H6O2S 94.0088 RT3.7 PFEM_hmdb_metabocards_blood NA blood +PARAC009 Dimethyl sulfone C2H6O2S 94.0088 RT3.7 PFEM_hmdb_metabocards_official NA NA +HMDB04983 Dimethyl sulfone C2H6O2S 94.00885 http://www.hmdb.ca/metabolites/HMDB04983 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04983 Dimethyl sulfone C2H6O2S 94.00885 http://www.hmdb.ca/metabolites/HMDB04983 HMDB NA NA +HMDB04983 Dimethyl sulfone C2H6O2S 94.00885 http://www.hmdb.ca/metabolites/HMDB04983 PFEM_hmdb_metabocards_blood NA blood +HMDB04983 Dimethyl sulfone C2H6O2S 94.00885 HMDB04983 PFEM_hmdb_metabocards_official NA NA +HMDB04983 Dimethyl sulfone C2H6O2S 94.00885 NA HMDB2010 NA NA +C11142 Sulfonylbismethane C2H6O2S 94.0089 NA KEGG NA NA +MJ000320 1-Chloro-2-propanol C3H7ClO 94.018542 NA MeJP NA NA +HMDB00228 Phenol C6H6O 94.04186 http://www.hmdb.ca/metabolites/HMDB00228 PFEM_hmdb_metabocards_urine NA urine +HMDB00228 Phenol C6H6O 94.04186 http://www.hmdb.ca/metabolites/HMDB00228 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00228 Phenol C6H6O 94.04186 http://www.hmdb.ca/metabolites/HMDB00228 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00228 Phenol C6H6O 94.04186 http://www.hmdb.ca/metabolites/HMDB00228 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00228 Phenol C6H6O 94.04186 http://www.hmdb.ca/metabolites/HMDB00228 HMDB NA NA +HMDB00228 Phenol C6H6O 94.04186 http://www.hmdb.ca/metabolites/HMDB00228 PFEM_hmdb_metabocards_blood NA blood +HMDB00228 Phenol C6H6O 94.04186 HMDB00228 PFEM_hmdb_metabocards_official NA NA +HMDB00228 Phenol C6H6O 94.041862 NA HMDB2010 NA NA +MJ000321 Phenol C6H6O 94.041864 NA MeJP NA NA +MetaCyc00268 phenol [carbolic acid;phenylalcohol;] C6H6O1 94.041865 108-95-2 metacyc NA NA +C00146 Phenol C6H6O 94.0419 NA KEGG NA NA +C01782 Arene oxide C6H6O 94.0419 NA KEGG NA NA +C15584 Phenols C6H6O 94.0419 NA KEGG NA NA +C15585 myo-Inositol phosphate C6H6O 94.0419 NA KEGG NA NA +CJneg0016 Phenylsulfate/Phenolsulfonic acid [(M-H)-(SO3)]- C6H5OS0 94.042425 C18rt(min)=5.33 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0016 Phenylsulfate/Phenolsulfonic acid [(M-H)-(SO3)]- C6H5OS0 94.042425 C18rt(min)=5.33 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +3172 dipeptidyl-aminopeptidase IV inhibitor VA 94.0525 MH2+ Inhouse_peptide NA peptide +7595 ACE inhibitor IG 94.0525 MH2+ Inhouse_peptide NA peptide +7596 ACE inhibitor GI 94.0525 MH2+ Inhouse_peptide NA peptide +7599 ACE inhibitor GL 94.0525 MH2+ Inhouse_peptide NA peptide +7619 ACE inhibitor LG 94.0525 MH2+ Inhouse_peptide NA peptide +MJ000322 4-Aminopyridine C5H6N2 94.053098 NA MeJP NA NA +C13728 4-Aminopyridine C5H6N2 94.0531 NA KEGG NA NA +EUR210 Histamine F2 F2 94.053575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR210 Histamine F2 NA 94.053575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR210 Histamine F2 F2 94.053575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR210 Histamine F2 NA 94.053575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR210 Histamine F2 F2 94.053575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR210 Histamine F2 NA 94.053575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR210 Histamine F2 F2 94.053575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR210 Histamine F2 F2 94.053575 standards wishlist analysés sur QTOF HMDB NA NA +EUR210 Histamine F2 F2 94.053575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR210 Histamine F2 NA 94.053575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR210 Histamine F2 F2 94.053575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR210 Histamine F2 F2 94.053575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0070 Aniline isomer [(M+H)]+ (13C) C513CH8N 94.060675 C18rt(min)=1.05 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0071 1-methylnicotinamide 2-Methylnicotinamide [(M)-(NHCO)]+ (13C) C513CH8NO0 94.060675 C18rt(min)=0.85 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0070 Aniline isomer [(M+H)]+ (13C) C513CH8N 94.060675 C18rt(min)=1.05 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0071 1-methylnicotinamide § 2-Methylnicotinamide [(M)-(NHCO)]+ (13C) C513CH8NO0 94.060675 C18rt(min)=0.85 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB00670 Homo-L-arginine C7H16N4O2 94.0636595 MH2+ Inhouse_peptide NA peptide +MetaCyc00269 N-Methylpyridinium [] C6H8N1 94.065674 NA metacyc NA NA +C02724 N-Methylpyridinium C6H8N 94.0657 NA KEGG NA NA +7624 ACE inhibitor NG 94.53195 MH2+ Inhouse_peptide NA peptide +HMDB00679 Homocitrulline C7H15N3O3 94.5556715 MH2+ Inhouse_peptide NA peptide +HMDB01429 Phosphate O4P 94.95342 http://www.hmdb.ca/metabolites/HMDB01429 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01429 Phosphate O4P 94.95342 http://www.hmdb.ca/metabolites/HMDB01429 HMDB NA NA +MetaCyc00270 phosphate [inorganic phosphate;phosphate-inorganic;Pi;orthophosphate;PO43-;HPO42-;HPO4-2;] O4P1 94.95342 14265-44-2 metacyc NA NA +HMDB01429 Phosphate O4P 94.95342 http://www.hmdb.ca/metabolites/HMDB01429 PFEM_hmdb_metabocards_blood NA blood +HMDB01429 Phosphate O4P 94.95342 HMDB01429 PFEM_hmdb_metabocards_official NA NA +HMDB01429 Phosphate [PO4]3- 94.953423 NA HMDB2010 NA NA +7620 ACE inhibitor GD 95.02395 MH2+ Inhouse_peptide NA peptide +7681 ACE inhibitor from soy DG 95.02395 MH2+ Inhouse_peptide NA peptide +EUR430 2-pyridone F1 NA 95.036075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR430 2-pyridone F1 NA 95.036075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR430 2-pyridone F1 NA 95.036075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR430 2-pyridone F1 NA 95.036075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR430 2-pyridone F1 NA 95.036075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR430 2-pyridone F1 NA 95.036075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR430 2-pyridone F1 NA 95.036075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR430 2-pyridone F1 NA 95.036075 standards wishlist analysés sur QTOF HMDB NA NA +EUR430 2-pyridone F1 NA 95.036075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR430 2-pyridone F1 NA 95.036075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR430 2-pyridone F1 NA 95.036075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR430 2-pyridone F1 NA 95.036075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0072 Nicotinamide [(M+H)-(HCN)]+ C5H6NO 95.036575 C18rt(min)=1.05 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0072 Nicotinamide [(M+H)-(HCN)]+ C5H6NO 95.036575 C18rt(min)=1.05 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +EUR045 2-pyridone C5H5NO 95.0371 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR045 2-pyridone C5H5NO 95.0371 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR045 2-pyridone C5H5NO 95.0371 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR045 2-pyridone C5H5NO 95.0371 Wishlist Inhousejuil11 NA NA +C02502 2-Hydroxypyridine C5H5NO 95.0371 NA KEGG NA NA +C02503 2-Iron ferredoxin C5H5NO 95.0371 NA KEGG NA NA +MJ000323 1H-Pyrrole-2-carboxaldehyde C5H5NO 95.037113 NA MeJP NA NA +EUR045 2-pyridone C5H5NO 95.037114 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR045 2-pyridone C5H5NO 95.037114 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR045 2-pyridone C5H5NO 95.037114 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR045 2-pyridone C5H5NO 95.037114 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR045 2-pyridone C5H5NO 95.037114 Wishlist HMDB NA NA +EUR045 2-pyridone C5H5NO 95.037114 Wishlist Inhouse_PFEM NA NA +MetaCyc00271 2-hydroxypyridine [] C5H5N1O1 95.037114 142-08-5 metacyc NA NA +EUR045 2-pyridone C5H5NO 95.037114 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR045 2-pyridone C5H5NO 95.037114 Wishlist PFEM_hmdb_metabocards_official NA NA +MJ000324 Zinc peroxide (ZnO2) O2Zn 95.918975 NA MeJP NA NA +C05703 Methaneselenol CH4Se 95.9478 NA KEGG NA NA +MJ000325 Methaneselenol CH4Se 95.947821 NA MeJP NA NA +HMDB01448 Sulfate [SO4]2- 95.951729 NA HMDB2010 NA NA +MetaCyc00272 sulfate [sulphate;SO4-2;SO42-;SO4--;] O4S1 95.951729 14808-79-8 metacyc NA NA +HMDB01448 Sulfate O4S 95.95173 http://www.hmdb.ca/metabolites/HMDB01448 PFEM_hmdb_metabocards_urine NA urine +HMDB01448 Sulfate O4S 95.95173 http://www.hmdb.ca/metabolites/HMDB01448 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01448 Sulfate O4S 95.95173 http://www.hmdb.ca/metabolites/HMDB01448 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01448 Sulfate O4S 95.95173 http://www.hmdb.ca/metabolites/HMDB01448 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01448 Sulfate O4S 95.95173 http://www.hmdb.ca/metabolites/HMDB01448 HMDB NA NA +HMDB01448 Sulfate O4S 95.95173 http://www.hmdb.ca/metabolites/HMDB01448 PFEM_hmdb_metabocards_blood NA blood +HMDB01448 Sulfate O4S 95.95173 HMDB01448 PFEM_hmdb_metabocards_official NA NA +MJ000326 cis-1,2-Dichloroethene C2H2Cl2 95.953355 NA MeJP NA NA +MJ000327 trans-1,2-Dichloroethene C2H2Cl2 95.953355 NA MeJP NA NA +MetaCyc00273 dichloroethene [DCE;cis-1,2-dichloroethene;] C2H2CL2 95.953355 NA metacyc NA NA +MetaCyc00274 1,1-DCE [1,1,-dichloroethene;] C2H2CL2 95.953355 NA metacyc NA NA +C06791 trans-1,2-Dichloroethene C2H2Cl2 95.9534 NA KEGG NA NA +C06792 cis-1,2-Dichloroethene C2H2Cl2 95.9534 NA KEGG NA NA +C14039 1,1-Dichloroethylene C2H2Cl2 95.9534 NA KEGG NA NA +HMDB00973 Hydrogen phosphate HO4P 95.96125 http://www.hmdb.ca/metabolites/HMDB00973 HMDB NA NA +HMDB00973 Hydrogen phosphate HO4P 95.96125 HMDB00973 PFEM_hmdb_metabocards_official NA NA +HMDB00973 Hydrogen phosphate [HPO4]2- 95.96125 NA HMDB2010 NA NA +C11145 Methanesulfonic acid CH4SO3 95.9881 NA KEGG NA NA +MetaCyc00275 methylsulfonate [methanesulfonate;MSA;Methanesulfonic acid;] C1H4O3S1 95.988115 75-75-2 metacyc NA NA +C07090 Protoanemonin C5H4O2 96.0211 NA KEGG NA NA +C14279 Furfural C5H4O2 96.0211 NA KEGG NA NA +MJ000328 Protoanemonin C5H4O2 96.021129 NA MeJP NA NA +MJ000329 2-Furancarboxaldehyde C5H4O2 96.021129 NA MeJP NA NA +MJ000330 3-Furancarboxaldehyde C5H4O2 96.021129 NA MeJP NA NA +MJ000331 5-Methylene-2(5H)-furanone C5H4O2 96.021129 NA MeJP NA NA +JH028 Glutaric acid [M+H-2H2O]+ NA 96.0224 4.25 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH028 Glutaric acid [M+H-2H2O]+ NA 96.0224 4.25 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH028 Glutaric acid [M+H-2H2O]+ NA 96.0224 4.25 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH028 Glutaric acid [M+H-2H2O]+ NA 96.0224 4.25 Inhousejuil11 NA NA +C11272 Fluorobenzene C6H5F 96.0375 NA KEGG NA NA +MJ000332 Ammonium carbonate CH8N2O3 96.053492 NA MeJP NA NA +C02395 Cyclohex-2-enone C6H8O 96.0575 NA KEGG NA NA +C02396 Cytochrome b-562 C6H8O 96.0575 NA KEGG NA NA +C02397 Cytochrome b-566 C6H8O 96.0575 NA KEGG NA NA +C02398 Cytochrome c-553 C6H8O 96.0575 NA KEGG NA NA +C02399 D-Xylosylprotein C9H14N2O7R2 96.0575 NA KEGG NA NA +MJ000333 2,4-Hexadienal C6H8O 96.057514 NA MeJP NA NA +MJ000334 2-Ethylfuran C6H8O 96.057514 NA MeJP NA NA +MJ000335 3-Ethylfuran C6H8O 96.057514 NA MeJP NA NA +MetaCyc00276 cyclohex-2-enone [2-Cyclohexen-1-one;] C6H8O1 96.057515 930-68-7 metacyc NA NA +MJ000336 2,4(5)-Dimethylimidazole C5H8N2 96.068748 NA MeJP NA NA +MJ000337 Bicyclo[4.1.0]heptane C7H12 96.0939 NA MeJP NA NA +MJ000338 Ethylidenecyclopentane C7H12 96.0939 NA MeJP NA NA +MetaCyc00277 KSCN [potassium thiocyanate;] C1N1S1K1 96.938852 NA metacyc NA NA +MetaCyc00278 HSO4- [] H1O4S1 96.959554 NA metacyc NA NA +HMDB02105 Dihydrogen Phosphate H2O4P 96.96907 http://www.hmdb.ca/metabolites/HMDB02105 HMDB NA NA +MetaCyc00279 phosphate-group [] H2O4P1 96.96907 NA metacyc NA NA +HMDB02105 Dihydrogen Phosphate H2O4P 96.96907 HMDB02105 PFEM_hmdb_metabocards_official NA NA +HMDB02105 Dihydrogen phosphate [H2PO4]- 96.96907 NA HMDB2010 NA NA +MetaCyc00280 phosphoramidate [amidophosphoric acid;phosphoramidic acid;] H4N1O3P1 96.99288 NA metacyc NA NA +MetaCyc00281 phosphoramide [] H4N1O3P1 96.99288 NA metacyc NA NA +C02306 Phosphoramidate PNH4O3 96.9929 NA KEGG NA NA +C02307 Phosphorylase a PNH4O3 96.9929 NA KEGG NA NA +C02308 Phosphorylase b PNH4O3 96.9929 NA KEGG NA NA +C02311 Primary diamine H4N2 96.9929 NA KEGG NA NA +MetaCyc00282 maleimide [2,5-pyrroledione;] C4H3N1O2 97.016378 NA metacyc NA NA +C07272 Maleimide C4H3NO2 97.0164 NA KEGG NA NA +HMDB01867 4-Aminohippuric acid C9H10N2O3 97.034569 MH2+ Inhouse_peptide NA peptide +CJpos0073 2-aminoadipic acid [(M+H)-(H2O)-(HCOOH)]+ C5H8NO 97.052175 C18rt(min)=1.05 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0074 Gly-pro (glycylproline) [(M+H)-(C2H5NO2)]+ C5H8NO 97.052175 C18rt(min)=1.02 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0073 2-aminoadipic acid [(M+H)-(H2O)-(HCOOH)]+ C5H8NO 97.052175 C18rt(min)=1.05 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0074 Gly-pro (glycylproline) [(M+H)-(C2H5NO2)]+ C5H8NO 97.052175 C18rt(min)=1.02 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ000339 3-Hydroxy-4-pentenoic acid, Nitrile C5H7NO 97.052763 NA MeJP NA NA +MJ000340 5,6-Dihydro-2(1H)-pyridinone C5H7NO 97.052763 NA MeJP NA NA +C02026 Deoxycytosine C4H7N3 97.064 NA KEGG NA NA +CJpos0075 Stachydrine (Proline betaine) [(M+H)-HCOOH]+ C6H12N 97.088575 C18rt(min)=0.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0075 Stachydrine (Proline betaine) [(M+H)-HCOOH]+ C6H12N 97.088575 C18rt(min)=0.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +HMDB00840 Salicyluric acid C9H9NO4 97.526581 MH2+ Inhouse_peptide NA peptide +C00150 Molybdenum Mo 97.9054 NA KEGG NA NA +C00151 L-Amino acid C2H4NO2R 97.9054 NA KEGG NA NA +HMDB01302 Molybdenum Mo 97.90541 http://www.hmdb.ca/metabolites/HMDB01302 PFEM_hmdb_metabocards_urine NA urine +HMDB01302 Molybdenum Mo 97.90541 http://www.hmdb.ca/metabolites/HMDB01302 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01302 Molybdenum Mo 97.90541 http://www.hmdb.ca/metabolites/HMDB01302 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01302 Molybdenum Mo 97.90541 http://www.hmdb.ca/metabolites/HMDB01302 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01302 Molybdenum Mo 97.90541 http://www.hmdb.ca/metabolites/HMDB01302 HMDB NA NA +HMDB01302 Molybdenum Mo 97.90541 http://www.hmdb.ca/metabolites/HMDB01302 PFEM_hmdb_metabocards_blood NA blood +HMDB01302 Molybdenum Mo 97.90541 HMDB01302 PFEM_hmdb_metabocards_official NA NA +HMDB01302 Molybdenum [Mo]2+ 97.905411 NA HMDB2010 NA NA +MJ000341 Sulfate H2O4S 97.967379 NA MeJP NA NA +MetaCyc00283 H2SO4 [sulfuric acid;] H2O4S1 97.967379 7664-93-9 metacyc NA NA +C00059 Sulfate H2SO4 97.9674 NA KEGG NA NA +C00060 Carboxylate CO2R 97.9674 NA KEGG NA NA +C06752 1,2-Dichloroethane C2H4Cl2 97.969 NA KEGG NA NA +MJ000342 1,2-Dichloroethane C2H4Cl2 97.969005 NA MeJP NA NA +MetaCyc00284 1,2-dichloroethane [] C2H4CL2 97.969006 NA metacyc NA NA +MJ000343 Orthophosphate H3O4P 97.976895 NA MeJP NA NA +HMDB02142 Phosphoric acid H3O4P 97.976898 NA HMDB2010 NA NA +HMDB02142 Phosphoric acid H3O4P 97.9769 http://www.hmdb.ca/metabolites/HMDB02142 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02142 Phosphoric acid H3O4P 97.9769 http://www.hmdb.ca/metabolites/HMDB02142 HMDB NA NA +C00009 Orthophosphate H3PO4 97.9769 NA KEGG NA NA +HMDB02142 Phosphoric acid H3O4P 97.9769 http://www.hmdb.ca/metabolites/HMDB02142 PFEM_hmdb_metabocards_blood NA blood +HMDB02142 Phosphoric acid H3O4P 97.9769 HMDB02142 PFEM_hmdb_metabocards_official NA NA +C12554 Potassium acetate C2H3O2 97.977 NA KEGG NA NA +C12555 Transferred to D01155 C2H3O2 97.977 NA KEGG NA NA +C12556 Transferred to D01156 C2H3O2 97.977 NA KEGG NA NA +CJneg0017 dUMP [(M-H)-(C9H10O4N2)]- H2O4P 97.977425 C18rt(min)=1.07 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0017 dUMP [(M-H)-(C9H10O4N2)]- H2O4P 97.977425 C18rt(min)=1.07 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ000344 2-Furanmethanol C5H6O2 98.036779 NA MeJP NA NA +MJ000345 3-Furanmethanol C5H6O2 98.036779 NA MeJP NA NA +MJ000346 4-Hydroxy-2-cyclopenten-1-one C5H6O2 98.036779 NA MeJP NA NA +MJ000347 4-Hydroxy-2-methylenebutanoic acid; Lactone C5H6O2 98.036779 NA MeJP NA NA +MJ000348 5-Methyl-2(3H)-furanone C5H6O2 98.036779 NA MeJP NA NA +C05562 Imidazole-4-methanol C4H6N2O 98.048 NA KEGG NA NA +MJ000349 Imidazole acetaldehyde C4H6N2O 98.048012 NA MeJP NA NA +MJ000350 5-Imino-2H-pyrrol-2-ol C4H6N2O 98.048012 NA MeJP NA NA +CJpos0076 Hexanoylcarnitine [(M+H)-NC3H9-C4H4O2-H2O]+ C6H11O 98.072575 C18rt(min)=6.65 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0077 Hexanoylglycine [(M+H)-(C2H5NO2)]+ C6H11N0O 98.072575 C18rt(min)=6.45 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0078 Isovalerylalanine isomer [(M+H)-(C2H5NO2)]+ C6H11N0O 98.072575 C18rt(min)=6.5 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0079 Hydroxysuberic acid isomer [(M+H)-2(HCOOH)]+ C6H11O 98.072575 C18rt(min)=5.15 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0076 Hexanoylcarnitine [(M+H)-NC3H9-C4H4O2-H2O]+ C6H11O 98.072575 C18rt(min)=6.65 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0077 Hexanoylglycine [(M+H)-(C2H5NO2)]+ C6H11N0O 98.072575 C18rt(min)=6.45 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0078 Isovalerylalanine isomer [(M+H)-(C2H5NO2)]+ C6H11N0O 98.072575 C18rt(min)=6.5 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0079 Hydroxysuberic acid isomer [(M+H)-2(HCOOH)]+ C6H11O 98.072575 C18rt(min)=5.15 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +HMDB03315 Cyclohexanone C6H10O 98.07316 http://www.hmdb.ca/metabolites/HMDB03315 HMDB NA NA +HMDB03315 Cyclohexanone C6H10O 98.07316 HMDB03315 PFEM_hmdb_metabocards_official NA NA +MJ000351 Cyclohexanone C6H10O 98.073164 NA MeJP NA NA +MJ000352 1-Hexyn-3-ol C6H10O 98.073164 NA MeJP NA NA +MJ000353 2,4-Hexadien-1-ol C6H10O 98.073164 NA MeJP NA NA +MJ000354 2-Hexenal C6H10O 98.073164 NA MeJP NA NA +MJ000355 2-Methyl-2-pentenal C6H10O 98.073164 NA MeJP NA NA +MJ000356 2-Methyl-4-pentenal C6H10O 98.073164 NA MeJP NA NA +MJ000357 3-Hexenal C6H10O 98.073164 NA MeJP NA NA +MJ000358 3-Methyl-1-pentyn-3-ol C6H10O 98.073164 NA MeJP NA NA +MJ000359 4-Methyl-3-penten-2-one C6H10O 98.073164 NA MeJP NA NA +MJ000360 5-Hexen-2-one C6H10O 98.073164 NA MeJP NA NA +MJ000361 Cyclohexanone C6H10O 98.073164 NA MeJP NA NA +MetaCyc00285 trans-2-hexenal [] C6H10O1 98.073165 6728-26-3 metacyc NA NA +MetaCyc00286 cis-3-hexenal [] C6H10O1 98.073165 6789-80-6 metacyc NA NA +MetaCyc00287 cyclohexanone [] C6H10O1 98.073165 108-94-1 metacyc NA NA +HMDB03315 Cyclohexanone C6H10O 98.073166 NA HMDB2010 NA NA +C00414 Cyclohexanone C6H10O 98.0732 NA KEGG NA NA +C08497 Leaf aldehyde C6H10O 98.0732 NA KEGG NA NA +C16310 3-Hexenal C6H10O 98.0732 NA KEGG NA NA +MJ000362 2-Iminopiperidine C5H10N2 98.084398 NA MeJP NA NA +MJ000363 4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole C5H10N2 98.084398 NA MeJP NA NA +HMDB03966 Selenomethionine C5H11NO2Se 98.4977495 MH2+ Inhouse_peptide NA peptide +HMDB00609 DL-Dopa C9H11NO4 98.534401 MH2+ Inhouse_peptide NA peptide +MetaCyc00288 vanadate [] O3V1 98.928708 NA metacyc NA NA +HMDB05843 Allyl isothiocyanate C4H5NS 99.014267 NA HMDB2010 NA NA +MJ000364 3-Isothiocyanato-1-propene C4H5NS 99.014269 NA MeJP NA NA +MJ000365 3-Thiocyanato-1-propene C4H5NS 99.014269 NA MeJP NA NA +MJ000366 Thiiraneacetic acid; Nitrile C4H5NS 99.014269 NA MeJP NA NA +HMDB05843 Allyl isothiocyanate C4H5NS 99.01427 http://www.hmdb.ca/metabolites/HMDB05843 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05843 Allyl isothiocyanate C4H5NS 99.01427 http://www.hmdb.ca/metabolites/HMDB05843 HMDB NA NA +HMDB05843 Allyl isothiocyanate C4H5NS 99.01427 http://www.hmdb.ca/metabolites/HMDB05843 PFEM_hmdb_metabocards_blood NA blood +HMDB05843 Allyl isothiocyanate C4H5NS 99.01427 HMDB05843 PFEM_hmdb_metabocards_official NA NA +C07273 Succinimide C4H5NO2 99.032 NA KEGG NA NA +C11103 Hymexazol C4H5NO2 99.032 NA KEGG NA NA +MJ000367 1,3-Dihydro-3-hydroxy-2H-pyrrol-2-one C4H5NO2 99.032028 NA MeJP NA NA +MJ000368 1,5-Dihydro-5-hydroxy-2H-pyrrol-2-one C4H5NO2 99.032028 NA MeJP NA NA +MJ000369 2-Amino-3-butynoic acid C4H5NO2 99.032028 NA MeJP NA NA +MJ000370 3-Methyl-2H-azirine-2-carboxylic acid C4H5NO2 99.032028 NA MeJP NA NA +EUR270 5hydroxymethyluracil F3 F3 99.032175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR270 5hydroxymethyluracil F3 NA 99.032175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR270 5hydroxymethyluracil F3 F3 99.032175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR270 5hydroxymethyluracil F3 NA 99.032175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR270 5hydroxymethyluracil F3 F3 99.032175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR270 5hydroxymethyluracil F3 NA 99.032175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR270 5hydroxymethyluracil F3 F3 99.032175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR270 5hydroxyméthyluracil F3 F3 99.032175 standards wishlist analysés sur QTOF HMDB NA NA +EUR270 5hydroxymethyluracil F3 F3 99.032175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR270 5hydroxymethyluracil F3 NA 99.032175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR270 5hydroxymethyluracil F3 F3 99.032175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR270 5hydroxymethyluracil F3 F3 99.032175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0080 Guanidoacetic acid (and isomer) [(M+H)-(H2O)]+ C3H6N3O 99.042675 C18rt(min)=0.9 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0080 Guanidoacetic acid (and isomer) [(M+H)-(H2O)]+ C3H6N3O 99.042675 C18rt(min)=0.9 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +MJ000371 Cyanoacetohydrazide C3H5N3O 99.043261 NA MeJP NA NA +MJ000372 1,2,4-Triazole-3,5-diamine C2H5N5 99.054495 NA MeJP NA NA +CJpos0081 Methyl (hydroxymethyl)pyrrolidine-carboxylate Methyl (hydroxy)piperidine-carboxylate [(M+H)-(C2H4O2)]+ C5H10NO 99.067875 C18rt(min)=4.6 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0082 4-Acetamidobutanoic acid isomer [(M+H)-(HCOOH)]+ C5H10NO 99.067875 C18rt(min)=1.8 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0083 Glu-Val [(M+H)-(C5H7O3N)-(H2O)]+ C5H10NO 99.067875 C18rt(min)=4.3 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0084 Gly-pro (glycylproline) [(M+H)-(C2H3NO2)]+ C5H10NO 99.067875 C18rt(min)=1.02 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0085 Valine Betaine [(M+H)-(H2O)]+ C5H10NO 99.067875 C18rt(min)=1.03 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0081 Methyl (hydroxymethyl)pyrrolidine-carboxylate § Methyl (hydroxy)piperidine-carboxylate [(M+H)-(C2H4O2)]+ C5H10NO 99.067875 C18rt(min)=4.6 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0082 4-Acetamidobutanoic acid isomer [(M+H)-(HCOOH)]+ C5H10NO 99.067875 C18rt(min)=1.8 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0083 Glu-Val [(M+H)-(C5H7O3N)-(H2O)]+ C5H10NO 99.067875 C18rt(min)=4.3 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0084 Gly-pro (glycylproline) [(M+H)-(C2H3NO2)]+ C5H10NO 99.067875 C18rt(min)=1.02 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0085 Valine § Betaine [(M+H)-(H2O)]+ C5H10NO 99.067875 C18rt(min)=1.03 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C11118 N-Methyl-2-pyrrolidinone C5H9NO 99.0684 NA KEGG NA NA +HMDB11749 2-Piperidinone C5H9NO 99.068413 NA HMDB2010 NA NA +MJ000373 1-Methyl-2-pyrrolidinone C5H9NO 99.068413 NA MeJP NA NA +MJ000374 2-Methyl-2-butenoic acid, Amide C5H9NO 99.068413 NA MeJP NA NA +MJ000375 4-Piperidinone C5H9NO 99.068413 NA MeJP NA NA +MJ000376 1-Methylpiperidine C6H13N 99.104799 NA MeJP NA NA +MetaCyc00289 cyclohexylamine [Cyclohexanamine;] C6H13N1 99.104799 108-91-8 metacyc NA NA +C00571 Cyclohexylamine C6H13N 99.1048 NA KEGG NA NA +C00572 Divalent cation C6H13N 99.1048 NA KEGG NA NA +C00573 Keratan sulfate C6H13N 99.1048 NA KEGG NA NA +C00574 beta-D-Fucoside C6H11O5R 99.1048 NA KEGG NA NA +C08129 Calcium carbonate CO3 99.9473 NA KEGG NA NA +MJ000377 Calcium carbonate CCaO3 99.947335 NA MeJP NA NA +MJ000378 1-Chloro-1,1-difluoroethane C2H3ClF2 99.989134 NA MeJP NA NA +MJ000379 2-Chloro-1,1-difluoroethane C2H3ClF2 99.989134 NA MeJP NA NA +MJ000380 2-Aminothiazole C3H4N2S 100.009518 NA MeJP NA NA +MetaCyc00290 2-oxobut-3-enanoate [] C4H4O3 100.016044 NA metacyc NA NA +CJpos0086 Guanidoacetic acid (and isomer) [(M+H)-(NH3)]+ C3H5N2O2 100.026775 C18rt(min)=0.9 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0086 Guanidoacetic acid (and isomer) [(M+H)-(NH3)]+ C3H5N2O2 100.026775 C18rt(min)=0.9 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +C05146 Hydantoin C3H4N2O2 100.0273 NA KEGG NA NA +CJpos0087 2-hydroxy-2-methylbutyric acid (2-hydroxyisovaleric acid) [(M+H)-(H2O)]+ C5H9O2 100.051875 C18rt(min)=4.58 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0088 3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M+H)-(H2O)]+ C5H9O2 100.051875 C18rt(min)=4.06 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0089 Mevalonic acid isomer [(M+H)-(CH2O)-(H2O)]+ C5H9O2 100.051875 C18rt(min)=4.55 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0090 6-Aminocaproic acid [(M+H)-(CH5N)]+ C5H9N0O2 100.051875 C18rt(min)=1.04 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0091 Valine Betaine [(M+H)-(NH3)]+ C5H9N0O2 100.051875 C18rt(min)=1.03 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0087 2-hydroxy-2-methylbutyric acid (2-hydroxyisovaleric acid) [(M+H)-(H2O)]+ C5H9O2 100.051875 C18rt(min)=4.58 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0088 3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M+H)-(H2O)]+ C5H9O2 100.051875 C18rt(min)=4.06 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0089 Mevalonic acid isomer [(M+H)-(CH2O)-(H2O)]+ C5H9O2 100.051875 C18rt(min)=4.55 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0090 6-Aminocaproic acid [(M+H)-(CH5N)]+ C5H9N0O2 100.051875 C18rt(min)=1.04 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0091 Valine § Betaine [(M+H)-(NH3)]+ C5H9N0O2 100.051875 C18rt(min)=1.03 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C02240 5-Valerolactone C5H8O2 100.0524 NA KEGG NA NA +C08279 Tiglic acid C5H8O2 100.0524 NA KEGG NA NA +C12518 Glutaral C5H8O2 100.0524 NA KEGG NA NA +C12519 Transferred to D01121 C5H8O2 100.0524 NA KEGG NA NA +C12520 Transferred to D01122 C5H8O2 100.0524 NA KEGG NA NA +C12521 Transferred to D01123 C5H8O2 100.0524 NA KEGG NA NA +C12522 Transferred to D01124 C5H8O2 100.0524 NA KEGG NA NA +C12523 Transferred to D01125 C5H8O2 100.0524 NA KEGG NA NA +C12524 Transferred to D01126 C5H8O2 100.0524 NA KEGG NA NA +C14527 Methyl methacrylate C5H8O2 100.0524 NA KEGG NA NA +C15499 Pentane-2,4-dione C5H8O2 100.0524 NA KEGG NA NA +HMDB00509 Senecioic acid C5H8O2 100.052429 NA HMDB2010 NA NA +HMDB01470 Tiglic acid C5H8O2 100.052429 NA HMDB2010 NA NA +HMDB01862 2-Ethylacrylic acid C5H8O2 100.052429 NA HMDB2010 NA NA +HMDB02167 3-Methylbutyrolactone C5H8O2 100.052429 NA HMDB2010 NA NA +MJ000381 2,4-Pentanedione C5H8O2 100.052429 NA MeJP NA NA +MJ000382 2-Hydroxy-2-methylcyclobutanone C5H8O2 100.052429 NA MeJP NA NA +MJ000383 2-Methyl-2-butenoic acid C5H8O2 100.052429 NA MeJP NA NA +MJ000384 3-Methyl-2-butenoic acid C5H8O2 100.052429 NA MeJP NA NA +MJ000385 Dihydro-2-methyl-3(2H)-furanone C5H8O2 100.052429 NA MeJP NA NA +MJ000386 Dihydro-3-methyl-2(3H)-furanone C5H8O2 100.052429 NA MeJP NA NA +MJ000387 Dihydro-5-methyl-2(3H)-furanone C5H8O2 100.052429 NA MeJP NA NA +MJ000388 Pentanedial C5H8O2 100.052429 NA MeJP NA NA +MJ000389 Tetrahydro-2H-pyran-2-one C5H8O2 100.052429 NA MeJP NA NA +HMDB00509 Senecioic acid C5H8O2 100.05243 http://www.hmdb.ca/metabolites/HMDB00509 HMDB NA NA +HMDB01470 Tiglic acid C5H8O2 100.05243 http://www.hmdb.ca/metabolites/HMDB01470 HMDB NA NA +HMDB01862 2-Ethylacrylic acid C5H8O2 100.05243 http://www.hmdb.ca/metabolites/HMDB01862 HMDB NA NA +HMDB02167 3-Methylbutyrolactone C5H8O2 100.05243 http://www.hmdb.ca/metabolites/HMDB02167 HMDB NA NA +MetaCyc00291 3-methyl-4-trans-hydroxy-2-butenal [] C5H8O2 100.05243 NA metacyc NA NA +MetaCyc00292 3-methyl-4-cis-hydroxy-2-butenal [] C5H8O2 100.05243 NA metacyc NA NA +MetaCyc00293 5-valerolactone [] C5H8O2 100.05243 542-28-9 metacyc NA NA +MetaCyc00294 tiglate [tiglic acid;] C5H8O2 100.05243 NA metacyc NA NA +HMDB00509 Senecioic acid C5H8O2 100.05243 HMDB00509 PFEM_hmdb_metabocards_official NA NA +HMDB01470 Tiglic acid C5H8O2 100.05243 HMDB01470 PFEM_hmdb_metabocards_official NA NA +HMDB01862 2-Ethylacrylic acid C5H8O2 100.05243 HMDB01862 PFEM_hmdb_metabocards_official NA NA +HMDB02167 3-Methylbutyrolactone C5H8O2 100.05243 HMDB02167 PFEM_hmdb_metabocards_official NA NA +CJneg0018 (2-methoxyethoxy)propanoic acid [(M-H)-(CH2O)-(H2O)]- C5H7O2 100.053025 C18rt(min)=4.95 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0018 (2-methoxyethoxy)propanoic acid [(M-H)-(CH2O)-(H2O)]- C5H7O2 100.053025 C18rt(min)=4.95 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0092 Dihydrothymine isomer [(M+H)-(CO)]+ C4H9N2O 100.063075 C18rt(min)=5.85 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0092 Dihydrothymine isomer [(M+H)-(CO)]+ C4H9N2O 100.063075 C18rt(min)=5.85 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ000390 Gyromitrin C4H8N2O 100.063662 NA MeJP NA NA +C08305 Gyromitrin C4H8N2O 100.0637 NA KEGG NA NA +CJpos0093 Glu-Val [(M+H)-(C5H7O3N)-(H2O)]+ (13C) C413CH10NO 100.071175 C18rt(min)=4.3 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0094 methyl(hydroxymethyl)pyrrolidine-carboxylate methyl(hydroxy)piperidine-carboxylate [(M+H)-(C2H4O2)]+ (13C) C413CH10NO 100.071175 C18rt(min)=4.6 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0095 Gly-pro (glycylproline) [(M+H)-(C2H3NO2)]+ (13C) C413CH10NO 100.071175 C18rt(min)=1.02 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0096 N-Acetylputrescine (and isomer) [(M+H)-(CH5N)]+ (13C) C413CH10NO 100.071175 C18rt(min)=1 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0093 Glu-Val [(M+H)-(C5H7O3N)-(H2O)]+ (13C) C413CH10NO 100.071175 C18rt(min)=4.3 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0094 methyl(hydroxymethyl)pyrrolidine-carboxylate § methyl(hydroxy)piperidine-carboxylate [(M+H)-(C2H4O2)]+ (13C) C413CH10NO 100.071175 C18rt(min)=4.6 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0095 Gly-pro (glycylproline) [(M+H)-(C2H3NO2)]+ (13C) C413CH10NO 100.071175 C18rt(min)=1.02 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0096 N-Acetylputrescine (and isomer) [(M+H)-(CH5N)]+ (13C) C413CH10NO 100.071175 C18rt(min)=1 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +C00854 Cyclohexanol C6H12O 100.0888 NA KEGG NA NA +C02373 4-Methylpentanal C6H12O 100.0888 NA KEGG NA NA +C02374 5'-Dephospho-DNA C10H17O8PR2 100.0888 NA KEGG NA NA +C02893 Unsaturated alcohol C6H12O 100.0888 NA KEGG NA NA +C08492 Leaf alcohol C6H12O 100.0888 NA KEGG NA NA +HMDB00753 3-Hexanone C6H12O 100.08881 http://www.hmdb.ca/metabolites/HMDB00753 HMDB NA NA +HMDB01318 4-Methylpentanal C6H12O 100.08881 http://www.hmdb.ca/metabolites/HMDB01318 HMDB NA NA +HMDB02939 Methyl isobutyl ketone C6H12O 100.08881 http://www.hmdb.ca/metabolites/HMDB02939 HMDB NA NA +HMDB05842 2-Oxohexane C6H12O 100.08881 http://www.hmdb.ca/metabolites/HMDB05842 HMDB NA NA +HMDB05846 Isopropyl ethyl ketone C6H12O 100.08881 http://www.hmdb.ca/metabolites/HMDB05846 HMDB NA NA +HMDB05994 Hexanal C6H12O 100.08881 http://www.hmdb.ca/metabolites/HMDB05994 HMDB NA NA +HMDB00753 3-Hexanone C6H12O 100.08881 HMDB00753 PFEM_hmdb_metabocards_official NA NA +HMDB01318 4-Methylpentanal C6H12O 100.08881 HMDB01318 PFEM_hmdb_metabocards_official NA NA +HMDB02939 Methyl isobutyl ketone C6H12O 100.08881 HMDB02939 PFEM_hmdb_metabocards_official NA NA +HMDB05842 2-Oxohexane C6H12O 100.08881 HMDB05842 PFEM_hmdb_metabocards_official NA NA +HMDB05846 Isopropyl ethyl ketone C6H12O 100.08881 HMDB05846 PFEM_hmdb_metabocards_official NA NA +HMDB05994 Hexanal C6H12O 100.08881 HMDB05994 PFEM_hmdb_metabocards_official NA NA +HMDB00753 3-Hexanone C6H12O 100.088814 NA HMDB2010 NA NA +HMDB01318 4-Methylpentanal C6H12O 100.088814 NA HMDB2010 NA NA +HMDB02939 Methyl isobutyl ketone C6H12O 100.088814 NA HMDB2010 NA NA +HMDB05842 2-Oxohexane C6H12O 100.088814 NA HMDB2010 NA NA +HMDB05846 Ethyl isopropyl ketone C6H12O 100.088814 NA HMDB2010 NA NA +HMDB05994 Hexanal C6H12O 100.088814 NA HMDB2010 NA NA +MJ000391 4-Methylpentanal C6H12O 100.088815 NA MeJP NA NA +MJ000392 Cyclohexanol C6H12O 100.088815 NA MeJP NA NA +MJ000393 1-Hexen-3-ol C6H12O 100.088815 NA MeJP NA NA +MJ000394 2-Ethylbutanal C6H12O 100.088815 NA MeJP NA NA +MJ000395 2-Hexanone C6H12O 100.088815 NA MeJP NA NA +MJ000396 2-Hexen-1-ol C6H12O 100.088815 NA MeJP NA NA +MJ000397 3-Hexen-1-ol C6H12O 100.088815 NA MeJP NA NA +MJ000398 4-Hexen-1-ol C6H12O 100.088815 NA MeJP NA NA +MJ000399 4-Methyl-2-pentanone C6H12O 100.088815 NA MeJP NA NA +MJ000400 Hexanal C6H12O 100.088815 NA MeJP NA NA +MetaCyc00295 hexanal [] C6H12O1 100.088815 66-25-1 metacyc NA NA +MetaCyc00296 cyclohexanol [tramadol;cyclohexyl-alcohol;] C6H12O1 100.088815 108-93-0 metacyc NA NA +MetaCyc00297 4-methylpentanal [isocaproaldehyde;isohexanal;] C6H12O1 100.088815 1119-16-0 metacyc NA NA +MetaCyc00298 trans-2-hexenol [] C6H12O1 100.088815 NA metacyc NA NA +MetaCyc00299 cis-3-hexenol [] C6H12O1 100.088815 928-96-1 metacyc NA NA +MJ000401 Heptane C7H16 100.1252 NA MeJP NA NA +MJ000402 2-Methylhexane C7H16 100.1252 NA MeJP NA NA +MJ000403 Potassium nitrate (KNO3) KNO3 100.951524 NA MeJP NA NA +MJ000404 1,3,4-Thiadiazol-2-amine C2H3N3S 101.004767 NA MeJP NA NA +MJ000405 2-Isothiocyanatopropane C4H7NS 101.029919 NA MeJP NA NA +MJ000406 4,5-Dihydro-2-methylthiazole C4H7NS 101.029919 NA MeJP NA NA +EUR224 Threonin F2 F2 101.046375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR224 Threonine F2 NA 101.046375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR224 Threonin F2 F2 101.046375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR224 Threonine F2 NA 101.046375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR224 Threonin F2 F2 101.046375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR224 Threonine F2 NA 101.046375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR224 Threonin F2 F2 101.046375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR224 Thréonin F2 F2 101.046375 standards wishlist analysés sur QTOF HMDB NA NA +EUR224 Threonin F2 F2 101.046375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR224 Threonine F2 NA 101.046375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR224 Threonin F2 F2 101.046375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR224 Threonin F2 F2 101.046375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR221 Glutamic acid F3 F3 101.047175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR221 Acide Glutamique F3 NA 101.047175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR221 Glutamic acid F3 F3 101.047175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR221 Acide Glutamique F3 NA 101.047175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR221 Glutamic acid F3 F3 101.047175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR221 Acide Glutamique F3 NA 101.047175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR221 Glutamic acid F3 F3 101.047175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR221 Glutamic acid F3 F3 101.047175 standards wishlist analysés sur QTOF HMDB NA NA +EUR221 Glutamic acid F3 F3 101.047175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR221 Acide Glutamique F3 NA 101.047175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR221 Glutamic acid F3 F3 101.047175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR221 Glutamic acid F3 F3 101.047175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ000407 1-Aminocyclopropanecarboxylic acid C4H7NO2 101.047678 NA MeJP NA NA +MJ000408 2-(Aminomethyl)-2-propenoic acid C4H7NO2 101.047678 NA MeJP NA NA +MJ000409 2-Amino-2-butenoic acid C4H7NO2 101.047678 NA MeJP NA NA +MJ000410 2-Amino-3-butenoic acid C4H7NO2 101.047678 NA MeJP NA NA +MJ000411 2-Azetidinecarboxylic acid C4H7NO2 101.047678 NA MeJP NA NA +MJ000412 3-Aminodihydro-2(3H)-furanone C4H7NO2 101.047678 NA MeJP NA NA +MJ000413 4-Hydroxy-2-pyrrolidinone C4H7NO2 101.047678 NA MeJP NA NA +MJ000414 5-Hydroxy-2-pyrrolidinone C4H7NO2 101.047678 NA MeJP NA NA +MJ000415 1-Aminocyclopropane-1-carboxylate C4H7NO2 101.047678 NA MeJP NA NA +MetaCyc00300 1-aminocyclopropane-1-carboxylate [1-Aminocyclopropane-1-carboxylic acid;] C4H7N1O2 101.047678 22059-21-8 metacyc NA NA +MetaCyc00301 2-aminobutan-4-olide [] C4H7N1O2 101.047678 NA metacyc NA NA +MetaCyc00302 homoserine lactone [2(3H)-furanone, 3-aminodihydro-;] C4H7N1O2 101.047678 NA metacyc NA NA +C01234 1-Aminocyclopropane-1-carboxylate C4H7NO2 101.0477 NA KEGG NA NA +C02926 2-Aminobutan-4-olide C4H7NO2 101.0477 NA KEGG NA NA +C07509 Diacetylmonoxime C4H7NO2 101.0477 NA KEGG NA NA +C08267 L-Azetidine 2-carboxylic acid C4H7NO2 101.0477 NA KEGG NA NA +C11106 Acetoacetamide C4H7NO2 101.0477 NA KEGG NA NA +C17234 2-Aminobut-2-enoate C4H7NO2 101.0477 NA KEGG NA NA +EUR293 Methionine F4 F4 101.048775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR293 Methionine F4 NA 101.048775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR293 Methionine F4 F4 101.048775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR293 Methionine F4 NA 101.048775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR293 Methionine F4 F4 101.048775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR293 Methionine F4 NA 101.048775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR293 Methionine F4 F4 101.048775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR293 Methionine F4 F4 101.048775 standards wishlist analysés sur QTOF HMDB NA NA +EUR293 Methionine F4 F4 101.048775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR293 Methionine F4 NA 101.048775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR293 Methionine F4 F4 101.048775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR293 Methionine F4 F4 101.048775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +3175 dipeptidyl-aminopeptidase IV inhibitor LA 101.0605 MH2+ Inhouse_peptide NA peptide +4006 Ubiqitin-mediated proteolysis activating peptide LA 101.0605 MH2+ Inhouse_peptide NA peptide +7562 ACE inhibitor from soy hydrolysate IA 101.0605 MH2+ Inhouse_peptide NA peptide +7585 ACE inhibitor LA 101.0605 MH2+ Inhouse_peptide NA peptide +8193 ACE inhibitor AI 101.0605 MH2+ Inhouse_peptide NA peptide +C07672 Biguanide C2H7N5 101.0701 NA KEGG NA NA +HMDB01539 Dimethyl-L-arginine C8H18N4O2 101.0714875 MH2+ Inhouse_peptide NA peptide +HMDB03334 Symmetric dimethylarginine C8H18N4O2 101.0714875 MH2+ Inhouse_peptide NA peptide +CJpos0097 N-Acetylputrescine (and isomer) [(M+H)-(CH3N)]+ C5H12NO 101.083475 C18rt(min)=1 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0097 N-Acetylputrescine (and isomer) [(M+H)-(CH3N)]+ C5H12NO 101.083475 C18rt(min)=1 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +MJ000416 3-Methylbutanoic acid; Amide C5H11NO 101.084063 NA MeJP NA NA +MJ000417 N-(2-Hydroxyethyl)aziridine; N-Me C5H12NO(+) 101.084064 NA MeJP NA NA +MetaCyc00303 pentanamide [Valeramide;] C5H11N1O1 101.084064 626-97-1 metacyc NA NA +MetaCyc00304 2-methylpropanal O-methyloxime [] C5H11N1O1 101.084064 NA metacyc NA NA +C01842 Pentanamide C5H11NO 101.0841 NA KEGG NA NA +C01843 Polyproline C10H16N2O3 101.0841 NA KEGG NA NA +C03982 2-Methylpropanal O-methyloxime C5H11NO 101.0841 NA KEGG NA NA +C03983 3'-Hydroxyloligoribonucleotide C10H17O10PR2 101.0841 NA KEGG NA NA +C10974 4-Methylaminobutanal C5H11NO 101.0841 NA KEGG NA NA +C12455 5-Aminopentanal C5H11NO 101.0841 NA KEGG NA NA +C17255 3-Methylbutyraldehyde oxime C5H11NO 101.0841 NA KEGG NA NA +MJ000418 Trihydro(morpholine-N4)boron C4H12BNO 101.101194 NA MeJP NA NA +CJpos0098 Spermine [(M+2H)]++ C10H28N4 101.107275 C18rt(min)=0.69 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0098 Spermine [(M+2H)]++ C10H28N4 101.107275 C18rt(min)=0.69 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C08306 Hexylamine C6H15N 101.1204 NA KEGG NA NA +C14691 Triethylamine C6H15N 101.1204 NA KEGG NA NA +MJ000419 1-Hexylamine C6H15N 101.120449 NA MeJP NA NA +MJ000420 3-Methyl-1-butylamine; N-Me C6H15N 101.120449 NA MeJP NA NA +MetaCyc00305 triethylamine [] C6H15N1 101.120449 121-44-8 metacyc NA NA +2890 neuropeptide inhibitor GQ 101.5395 MH2+ Inhouse_peptide NA peptide +7610 ACE inhibitor GQ 101.5395 MH2+ Inhouse_peptide NA peptide +7617 ACE inhibitor QG 101.5395 MH2+ Inhouse_peptide NA peptide +7604 ACE inhibitor KG 101.5575 MH2+ Inhouse_peptide NA peptide +7611 ACE inhibitor GK 101.5575 MH2+ Inhouse_peptide NA peptide +HMDB00201 L-Acetylcarnitine C9H17NO4 101.5578765 MH2+ Inhouse_peptide NA peptide +CJpos0099 Spermine [(M+2H)]++ (13C) C913CH28N4 101.608975 C18rt(min)=0.69 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0099 Spermine [(M+2H)]++ (13C) C913CH28N4 101.608975 C18rt(min)=0.69 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ000421 Sodium bromide (NaBr) BrNa 101.908107 NA MeJP NA NA +C13515 Rubidium hydroxide RbHO 101.9145 NA KEGG NA NA +C13516 Transferred to D02014 RbHO 101.9145 NA KEGG NA NA +C13517 Transferred to D02015 RbHO 101.9145 NA KEGG NA NA +C13518 Transferred to D02016 RbHO 101.9145 NA KEGG NA NA +C13519 Transferred to D02017 RbHO 101.9145 NA KEGG NA NA +C13520 Transferred to D02018 RbHO 101.9145 NA KEGG NA NA +MJ000422 Dichlorofluoromethane CHCl2F 101.943933 NA MeJP NA NA +MetaCyc00306 ketopyruvate [pyr;] C3H2O4 101.995309 NA metacyc NA NA +HMDB03015 Malonate C3H2O4 101.99531 http://www.hmdb.ca/metabolites/HMDB03015 HMDB NA NA +HMDB03015 Malonate C3H2O4 101.99531 HMDB03015 PFEM_hmdb_metabocards_official NA NA +MJ000423 1,1,1,2-Tetrafluoroethane C2H2F4 102.009262 NA MeJP NA NA +C14398 Ethylenethiourea C3H6N2S 102.0252 NA KEGG NA NA +CJpos0100 Carnitine (and isomer) [(M+H)-(NC3H9)]+ C4H7N0O3 102.031175 C18rt(min)=0.95 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0100 Carnitine (and isomer) [(M+H)-(NC3H9)]+ C4H7N0O3 102.031175 C18rt(min)=0.95 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +7615 ACE inhibitor GE 102.0315 MH2+ Inhouse_peptide NA peptide +7622 ACE inhibitor EG 102.0315 MH2+ Inhouse_peptide NA peptide +HMDB00005 2-Ketobutyric acid C4H6O3 102.03169 http://www.hmdb.ca/metabolites/HMDB00005 PFEM_hmdb_metabocards_urine NA urine +HMDB00060 Acetoacetic acid C4H6O3 102.03169 http://www.hmdb.ca/metabolites/HMDB00060 PFEM_hmdb_metabocards_urine NA urine +HMDB00005 2-Ketobutyric acid C4H6O3 102.03169 http://www.hmdb.ca/metabolites/HMDB00005 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00060 Acetoacetic acid C4H6O3 102.03169 http://www.hmdb.ca/metabolites/HMDB00060 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00005 2-Ketobutyric acid C4H6O3 102.03169 http://www.hmdb.ca/metabolites/HMDB00005 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00060 Acetoacetic acid C4H6O3 102.03169 http://www.hmdb.ca/metabolites/HMDB00060 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00005 2-Ketobutyric acid C4H6O3 102.03169 http://www.hmdb.ca/metabolites/HMDB00005 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00060 Acetoacetic acid C4H6O3 102.03169 http://www.hmdb.ca/metabolites/HMDB00060 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00005 2-Ketobutyric acid C4H6O3 102.03169 http://www.hmdb.ca/metabolites/HMDB00005 HMDB NA NA +HMDB00060 Acetoacetic acid C4H6O3 102.03169 http://www.hmdb.ca/metabolites/HMDB00060 HMDB NA NA +HMDB01172 2-Methyl-3-oxopropanoic acid C4H6O3 102.03169 http://www.hmdb.ca/metabolites/HMDB01172 HMDB NA NA +HMDB01259 Succinic acid semialdehyde C4H6O3 102.03169 http://www.hmdb.ca/metabolites/HMDB01259 HMDB NA NA +HMDB02217 S-Methylmalonic acid semialdehyde C4H6O3 102.03169 http://www.hmdb.ca/metabolites/HMDB02217 HMDB NA NA +HMDB03381 4-Hydroxycrotonic acid C4H6O3 102.03169 http://www.hmdb.ca/metabolites/HMDB03381 HMDB NA NA +HMDB00005 2-Ketobutyric acid C4H6O3 102.03169 http://www.hmdb.ca/metabolites/HMDB00005 PFEM_hmdb_metabocards_blood NA blood +HMDB00060 Acetoacetic acid C4H6O3 102.03169 http://www.hmdb.ca/metabolites/HMDB00060 PFEM_hmdb_metabocards_blood NA blood +HMDB00005 2-Ketobutyric acid C4H6O3 102.03169 HMDB00005 PFEM_hmdb_metabocards_official NA NA +HMDB00060 Acetoacetic acid C4H6O3 102.03169 HMDB00060 PFEM_hmdb_metabocards_official NA NA +HMDB01172 2-Methyl-3-oxopropanoic acid C4H6O3 102.03169 HMDB01172 PFEM_hmdb_metabocards_official NA NA +HMDB01259 Succinic acid semialdehyde C4H6O3 102.03169 HMDB01259 PFEM_hmdb_metabocards_official NA NA +HMDB02217 S-Methylmalonic acid semialdehyde C4H6O3 102.03169 HMDB02217 PFEM_hmdb_metabocards_official NA NA +HMDB03381 4-Hydroxycrotonic acid C4H6O3 102.03169 HMDB03381 PFEM_hmdb_metabocards_official NA NA +HMDB00005 2-Ketobutyric acid C4H6O3 102.031693 NA HMDB2010 NA NA +HMDB00060 Acetoacetic acid C4H6O3 102.031693 NA HMDB2010 NA NA +HMDB01172 2-Methyl-3-oxopropanoic acid C4H6O3 102.031693 NA HMDB2010 NA NA +HMDB01259 Succinic acid semialdehyde C4H6O3 102.031693 NA HMDB2010 NA NA +HMDB02217 (S)-Methylmalonic acid semialdehyde C4H6O3 102.031693 NA HMDB2010 NA NA +HMDB03381 4-Hydroxycrotonic acid C4H6O3 102.031693 NA HMDB2010 NA NA +MJ000424 2-Oxobutanoic acid C4H6O3 102.031694 NA MeJP NA NA +MJ000425 4-Hydroxy-2-oxobutanal C4H6O3 102.031694 NA MeJP NA NA +MJ000426 4-Methyl-1,3-dioxolan-2-one C4H6O3 102.031694 NA MeJP NA NA +MJ000427 4-Oxobutanoic acid C4H6O3 102.031694 NA MeJP NA NA +MJ000428 Dihydro-4-hydroxy-2(3H)-furanone C4H6O3 102.031694 NA MeJP NA NA +MJ000429 (S)-Methylmalonate semialdehyde C4H6O3 102.031694 NA MeJP NA NA +MJ000430 2-Oxobutanoate C4H6O3 102.031694 NA MeJP NA NA +MJ000431 Acetoacetate C4H6O3 102.031694 NA MeJP NA NA +MJ000432 Succinate semialdehyde C4H6O3 102.031694 NA MeJP NA NA +MetaCyc00307 succinate semialdehyde [succinyl semialdehyde;succ-S-ald;succinic semialdehyde;] C4H6O3 102.031694 692-29-5 metacyc NA NA +MetaCyc00308 methylmalonate-semialdehyde [2-methyl-3-oxopropanoate;CH3-malonate-S-ald;ch3-malonate-semialdehyde;] C4H6O3 102.031694 08/04/6236 metacyc NA NA +MetaCyc00309 acetoacetate [3-ketobutyrate;3-oxobutanate;oxobutyrate;acetoacetic acid;3-oxobutyric acid;3-oxobutanoic acid;diacetic acid;β-ketobutyric acid;] C4H6O3 102.031694 541-50-4 metacyc NA NA +MetaCyc00310 2-oxobutanoate [2-oxobutyrate;2-ketobutyrate;2-oxobutyric acid;α-oxobutyric acid;α-ketobutyrate;α-ketobutyric acid;2-oxo-butyrate;2-keto-butyrate;2-ketobutyric acid;] C4H6O3 102.031694 600-18-0 metacyc NA NA +MetaCyc00311 methyl pyruvate [propanoic acid, 2-oxo-, methyl ester;pyruvic acid methylester;] C4H6O3 102.031694 600-22-6 metacyc NA NA +EUR200 2-Ketobutyric acid C4H6O3 102.031695 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR200 2-Ketobutyric acid C4H6O3 102.031695 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR200 2-Ketobutyric acid C4H6O3 102.031695 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR200 2-Ketobutyric acid C4H6O3 102.031695 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR200 2-Ketobutyric acid C4H6O3 102.031695 Wishlist HMDB NA NA +EUR200 2-Ketobutyric acid C4H6O3 102.031695 Wishlist Inhouse_PFEM NA NA +EUR200 2-Ketobutyric acid C4H6O3 102.031695 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR200 2-Ketobutyric acid C4H6O3 102.031695 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR200 2-Ketobutyric acid C4H6O3 102.0317 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR200 2-Ketobutyric acid C4H6O3 102.0317 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR200 2-Ketobutyric acid C4H6O3 102.0317 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR200 2-Ketobutyric acid C4H6O3 102.0317 Wishlist Inhousejuil11 NA NA +C00109 2-Oxobutanoate C4H6O3 102.0317 NA KEGG NA NA +C00110 Dolichyl phosphate C20H37O4P 102.0317 NA KEGG NA NA +C00164 Acetoacetate C4H6O3 102.0317 NA KEGG NA NA +C00165 Diacylglycerol C5H6O5R2 102.0317 NA KEGG NA NA +C00232 Succinate semialdehyde C4H6O3 102.0317 NA KEGG NA NA +C00349 2-Methyl-3-oxopropanoate C4H6O3 102.0317 NA KEGG NA NA +C00350 Phosphatidylethanolamine C7H12NO8PR2 102.0317 NA KEGG NA NA +C00351 5'-Phosphooligonucleotide C10H19O14P3R2 102.0317 NA KEGG NA NA +C06002 (S)-Methylmalonate semialdehyde C4H6O3 102.0317 NA KEGG NA NA +C06005 (S)-3-Hydroxy-3-methyl-2-oxopentanoate C4H6O3 102.0317 NA KEGG NA NA +7606 ACE inhibitor DA 102.03195 MH2+ Inhouse_peptide NA peptide +EUR237 Carnitine F2 F2 102.031975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR237 Carnitine F2 NA 102.031975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR237 Carnitine F2 F2 102.031975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR237 Carnitine F2 NA 102.031975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR237 Carnitine F2 F2 102.031975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR237 Carnitine F2 NA 102.031975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR237 Carnitine F2 F2 102.031975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR237 Carnitine F2 F2 102.031975 standards wishlist analysés sur QTOF HMDB NA NA +EUR237 Carnitine F2 F2 102.031975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR237 Carnitine F2 NA 102.031975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR237 Carnitine F2 F2 102.031975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR237 Carnitine F2 F2 102.031975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJneg0019 ?-Ketoglutaric acid [(M-H)-(CO2)]- C4H5O3 102.032225 C18rt(min)=1.03 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0019 ?-Ketoglutaric acid [(M-H)-(CO2)]- C4H5O3 102.032225 C18rt(min)=1.03 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C02718 N-Formiminoglycine C3H6N2O2 102.0429 NA KEGG NA NA +C06682 DL-Cycloserine C3H6N2O2 102.0429 NA KEGG NA NA +C08057 Cycloserine C3H6N2O2 102.0429 NA KEGG NA NA +C08058 Transferred to D00878 C3H6N2O2 102.0429 NA KEGG NA NA +MJ000433 N-Formiminoglycine C3H6N2O2 102.042927 NA MeJP NA NA +MJ000434 4-Amino-3-isoxazolidinone C3H6N2O2 102.042927 NA MeJP NA NA +MJ000435 N-(Iminomethyl)glycine C3H6N2O2 102.042927 NA MeJP NA NA +MetaCyc00312 L-cycloserine [L-4-amino-3-isoxazolidinone;L-4-amino-3-isoxazolidone;] C3H6N2O2 102.042927 NA metacyc NA NA +MetaCyc00313 D-cycloserine [D-4-amino-3-isoxazolidinone;D-4-amino-3-isoxazolidone;orientomycin;Seromycin;] C3H6N2O2 102.042927 68-41-7 metacyc NA NA +MetaCyc00314 N-formimino-glycine [formimino-glycine;formimino-gly;] C3H6N2O2 102.042927 03/06/2140 metacyc NA NA +HMDB00929 L-Tryptophan C11H12N2O2 102.044937 MH2+ Inhouse_peptide NA peptide +JH063 Phenylalanine [M+H-HCOOH-NH3]+ NA 102.0462 1.66 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH063 Phenylalanine [M+H-HCOOH-NH3]+ NA 102.0462 1.66 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH063 Phenylalanine [M+H-HCOOH-NH3]+ NA 102.0462 1.66 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH063 Phenylalanine [M+H-HCOOH-NH3]+ NA 102.0462 1.66 Inhousejuil11 NA NA +MJ000436 2,2-Dimethylthietane C5H10S 102.050321 NA MeJP NA NA +MJ000437 2,3-Dimethylthietane C5H10S 102.050321 NA MeJP NA NA +MJ000438 3-Methyl-2-butene-1-thiol C5H10S 102.050321 NA MeJP NA NA +HMDB06284 L-3-Amino-isobutanoate C4H8NO2 102.0555 http://www.hmdb.ca/metabolites/HMDB06284 HMDB NA NA +HMDB06284 L-3-Amino-isobutanoate C4H8NO2 102.0555 HMDB06284 PFEM_hmdb_metabocards_official NA NA +CJpos0101 Valeric acid isomer [(M+H)]+ C5H11O2 102.067575 C18rt(min)=5.14 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0102 (2-methoxyethoxy)propanoic acid [(M+H)-(HCOOH)]+ C5H11O2 102.067575 C18rt(min)=4.95 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0103 (2-methoxyethoxy)propanoic acid [(M+H)-(HCOOH)]+ C5H11O2 102.067575 C18rt(min)=4.75 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0104 Mevalonic acid isomer [(M+H)-(HCOOH)]+ C5H11O2 102.067575 C18rt(min)=4.55 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0101 Valeric acid isomer [(M+H)]+ C5H11O2 102.067575 C18rt(min)=5.14 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0102 (2-methoxyethoxy)propanoic acid [(M+H)-(HCOOH)]+ C5H11O2 102.067575 C18rt(min)=4.95 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0103 (2-methoxyethoxy)propanoic acid [(M+H)-(HCOOH)]+ C5H11O2 102.067575 C18rt(min)=4.75 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0104 Mevalonic acid isomer [(M+H)-(HCOOH)]+ C5H11O2 102.067575 C18rt(min)=4.55 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +LABER042 Valeric NA 102.068077 NA PFEM_hmdb_metabocards_urine NA urine +LABER044 isovaleric pas vu 102.068077 NA PFEM_hmdb_metabocards_urine NA urine +LABER048 2-methyl-butyric acid NA 102.068077 NA PFEM_hmdb_metabocards_urine NA urine +LABER042 Valeric NA 102.068077 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER044 isovaleric pas vu 102.068077 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER048 2-methyl-butyric acid NA 102.068077 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER042 Valeric NA 102.068077 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER044 isovaleric pas vu 102.068077 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER048 2-methyl-butyric acid NA 102.068077 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER042 Valeric NA 102.068077 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER044 isovaleric pas vu 102.068077 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER048 2-methyl-butyric acid NA 102.068077 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER042 Valeric NA 102.068077 NA HMDB NA NA +LABER044 isovaleric pas vu 102.068077 NA HMDB NA NA +LABER048 2-methyl-butyric acid NA 102.068077 NA HMDB NA NA +HMDB00718 Isovaleric acid C5H10O2 102.068077 NA HMDB2010 NA NA +HMDB00892 Valeric acid C5H10O2 102.068077 NA HMDB2010 NA NA +HMDB02176 Ethylmethylacetic acid C5H10O2 102.068077 NA HMDB2010 NA NA +LABER042 Valeric NA 102.068077 NA Inhouse_PFEM NA NA +LABER044 isovaleric pas vu 102.068077 NA Inhouse_PFEM NA NA +LABER048 2-methyl-butyric acid NA 102.068077 NA Inhouse_PFEM NA NA +LABER042 Valeric NA 102.068077 NA Inhousejuil11 NA NA +LABER044 isovaleric pas vu 102.068077 NA Inhousejuil11 NA NA +LABER048 2-methyl-butyric acid NA 102.068077 NA Inhousejuil11 NA NA +LABER042 Valeric NA 102.068077 NA PFEM_hmdb_metabocards_blood NA blood +LABER044 isovaleric pas vu 102.068077 NA PFEM_hmdb_metabocards_blood NA blood +LABER048 2-methyl-butyric acid NA 102.068077 NA PFEM_hmdb_metabocards_blood NA blood +LABER042 Valeric NA 102.068077 NA PFEM_hmdb_metabocards_official NA NA +LABER044 isovaleric pas vu 102.068077 NA PFEM_hmdb_metabocards_official NA NA +LABER048 2-methyl-butyric acid NA 102.068077 NA PFEM_hmdb_metabocards_official NA NA +MJ000439 2-Methyl-1-propanol; Formyl C5H10O2 102.068079 NA MeJP NA NA +MJ000440 2-Methylbutanoic acid C5H10O2 102.068079 NA MeJP NA NA +MJ000441 2-Methylpropanoic acid; Me ester C5H10O2 102.068079 NA MeJP NA NA +MJ000442 3-Hydroxy-3-methylbutanal C5H10O2 102.068079 NA MeJP NA NA +MJ000443 3-Methylbutanoic acid C5H10O2 102.068079 NA MeJP NA NA +MJ000444 Isopropyl acetate C5H10O2 102.068079 NA MeJP NA NA +MJ000445 Pentanoic acid C5H10O2 102.068079 NA MeJP NA NA +MJ000446 Tetrahydro-2-furanmethanol C5H10O2 102.068079 NA MeJP NA NA +HMDB00718 Isovaleric acid C5H10O2 102.06808 http://www.hmdb.ca/metabolites/HMDB00718 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00892 Valeric acid C5H10O2 102.06808 http://www.hmdb.ca/metabolites/HMDB00892 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00718 Isovaleric acid C5H10O2 102.06808 http://www.hmdb.ca/metabolites/HMDB00718 HMDB NA NA +HMDB00892 Valeric acid C5H10O2 102.06808 http://www.hmdb.ca/metabolites/HMDB00892 HMDB NA NA +HMDB02176 Ethylmethylacetic acid C5H10O2 102.06808 http://www.hmdb.ca/metabolites/HMDB02176 HMDB NA NA +MetaCyc00315 valerate [valerate;valerianic acid;pentanoic acid;pentanoate;] C5H10O2 102.06808 109-52-4 metacyc NA NA +MetaCyc00316 isovalerate [] C5H10O2 102.06808 NA metacyc NA NA +MetaCyc00317 2-methylbutyrate [α-methylbutyrate;] C5H10O2 102.06808 NA metacyc NA NA +HMDB00718 Isovaleric acid C5H10O2 102.06808 http://www.hmdb.ca/metabolites/HMDB00718 PFEM_hmdb_metabocards_blood NA blood +HMDB00892 Valeric acid C5H10O2 102.06808 http://www.hmdb.ca/metabolites/HMDB00892 PFEM_hmdb_metabocards_blood NA blood +HMDB00718 Isovaleric acid C5H10O2 102.06808 HMDB00718 PFEM_hmdb_metabocards_official NA NA +HMDB00892 Valeric acid C5H10O2 102.06808 HMDB00892 PFEM_hmdb_metabocards_official NA NA +HMDB02176 Ethylmethylacetic acid C5H10O2 102.06808 HMDB02176 PFEM_hmdb_metabocards_official NA NA +C00803 Pentanoate C5H10O2 102.0681 NA KEGG NA NA +C08262 3-Methylbutanoic acid C5H10O2 102.0681 NA KEGG NA NA +CJneg0020 Adipic acid [(M-H)-(CO2)]- C5H9O2 102.068625 C18rt(min)=5.1 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0021 Valeric acid isomer [(M-H)]- C5H9O2 102.068625 C18rt(min)=5.14 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0020 Adipic acid [(M-H)-(CO2)]- C5H9O2 102.068625 C18rt(min)=5.1 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0021 Valeric acid isomer [(M-H)]- C5H9O2 102.068625 C18rt(min)=5.14 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +C14422 N-Nitrosodiethylamine C4H10N2O 102.0793 NA KEGG NA NA +CJpos0105 N-Acetylputrescine (and isomer) [(M+H)-(CH3N)]+ (13C) C413CH12NO 102.086875 C18rt(min)=1 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0105 N-Acetylputrescine (and isomer) [(M+H)-(CH3N)]+ (13C) C413CH12NO 102.086875 C18rt(min)=1 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB01252 Betaine aldehyde C5H12NO 102.091888 NA HMDB2010 NA NA +MJ000447 Betaine aldehyde C5H12NO 102.091889 NA MeJP NA NA +MetaCyc00318 betaine aldehyde [glycine betaine aldehyde;] C5H12N1O1 102.091889 7418-61-3 metacyc NA NA +HMDB01252 Betaine aldehyde C5H12NO 102.09189 http://www.hmdb.ca/metabolites/HMDB01252 HMDB NA NA +HMDB01252 Betaine aldehyde C5H12NO 102.09189 HMDB01252 PFEM_hmdb_metabocards_official NA NA +C00576 Betaine aldehyde C5H12NO 102.0919 NA KEGG NA NA +MJ000448 1-Ethoxy-2-methylpropane C6H14O 102.104465 NA MeJP NA NA +MJ000449 1-Hexanol C6H14O 102.104465 NA MeJP NA NA +MJ000450 3-Methyl-1-pentanol C6H14O 102.104465 NA MeJP NA NA +MetaCyc00319 hexanol [] C6H14O1 102.104465 111-27-3 metacyc NA NA +MetaCyc00320 dipropylether [di-N-propylether;1-propoxypropane;1,1'-oxybispropane;4-oxaheptane;Di-n-propyl ether;dipropyl ether;dipropyl oxide;ether, di-n-propyl-;propane, 1,1'-oxybis-;propyl ether;n-propyl ether;] C6H14O1 102.104465 NA metacyc NA NA +MJ000451 1,4-Butanediamine; N-Me C5H14N2 102.115698 NA MeJP NA NA +MJ000452 1,5-Pentanediamine C5H14N2 102.115698 NA MeJP NA NA +MJ000453 Cadaverine C5H14N2 102.115698 NA MeJP NA NA +MJ000454 N-Methylputrescine C5H14N2 102.115698 NA MeJP NA NA +MetaCyc00321 cadaverine [1,5-Diaminopentane;1,5-pentanediamine;pentamethylenediamine;BioDex 1-;cadaverine;] C5H14N2 102.115698 462-94-2 metacyc NA NA +MetaCyc00322 N-methylputrescine [] C5H14N2 102.115698 NA metacyc NA NA +LABER038 cadaverine NA 102.1157 RT 1.58 PFEM_hmdb_metabocards_urine NA urine +LABER038 cadaverine NA 102.1157 RT 1.58 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER038 cadaverine NA 102.1157 RT 1.58 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER038 cadaverine NA 102.1157 RT 1.58 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02322 Cadaverine C5H14N2 102.1157 http://www.hmdb.ca/metabolites/HMDB02322 HMDB NA NA +HMDB03661 N-Methylputrescine C5H14N2 102.1157 http://www.hmdb.ca/metabolites/HMDB03661 HMDB NA NA +LABER038 cadaverine NA 102.1157 RT 1.58 HMDB NA NA +LABER038 cadaverine NA 102.1157 RT 1.58 Inhouse_PFEM NA NA +LABER038 cadaverine NA 102.1157 RT 1.58 Inhousejuil11 NA NA +C01672 Cadaverine C5H14N2 102.1157 NA KEGG NA NA +C02723 N-Methylputrescine C5H14N2 102.1157 NA KEGG NA NA +LABER038 cadaverine NA 102.1157 RT 1.58 PFEM_hmdb_metabocards_blood NA blood +LABER038 cadaverine NA 102.1157 RT 1.58 PFEM_hmdb_metabocards_official NA NA +HMDB02322 Cadaverine C5H14N2 102.1157 HMDB02322 PFEM_hmdb_metabocards_official NA NA +HMDB03661 N-Methylputrescine C5H14N2 102.1157 HMDB03661 PFEM_hmdb_metabocards_official NA NA +HMDB02322 Cadaverine C5H14N2 102.1157 NA HMDB2010 NA NA +HMDB03661 N-Methylputrescine C5H14N2 102.1157 NA HMDB2010 NA NA +HMDB06509 Nervonyl carnitine C6H16N 102.12827 http://www.hmdb.ca/metabolites/HMDB06509 HMDB NA NA +HMDB06509 Nervonyl carnitine C6H16N 102.12827 HMDB06509 PFEM_hmdb_metabocards_official NA NA +HMDB06509 Nervonyl carnitine C6H16N 102.128273 NA HMDB2010 NA NA +MJ000455 2-Oxazolidinethione C3H5NOS 103.009184 NA MeJP NA NA +C02193 Pyruvate oxime C3H5NO3 103.0269 NA KEGG NA NA +C11822 2-Aminomalonate semialdehyde C3H5NO3 103.0269 NA KEGG NA NA +C11823 2,3-Ene acid C3H3O2R 103.0269 NA KEGG NA NA +C11824 Cyclic amide C3H3O2R 103.0269 NA KEGG NA NA +HMDB02455 Pyruvatoxime C3H5NO3 103.026939 NA HMDB2010 NA NA +HMDB11602 3-Oxoalanine C3H5NO3 103.026939 NA HMDB2010 NA NA +HMDB02455 Pyruvatoxime C3H5NO3 103.02694 http://www.hmdb.ca/metabolites/HMDB02455 HMDB NA NA +HMDB02455 Pyruvatoxime C3H5NO3 103.02694 HMDB02455 PFEM_hmdb_metabocards_official NA NA +MetaCyc00323 pyruvic oxime [] C3H5N1O3 103.026943 NA metacyc NA NA +MetaCyc00324 2-aminomalonate-semialdehyde [] C3H5N1O3 103.026943 NA metacyc NA NA +7597 ACE inhibitor GM 103.0307 MH2+ Inhouse_peptide NA peptide +7609 ACE inhibitor MG 103.0307 MH2+ Inhouse_peptide NA peptide +MetaCyc00325 biuret [allophanamide;carbamylurea;imidodicarbonic diamide;] C2H5N3O2 103.038176 108-19-0 metacyc NA NA +C06555 Biuret C2H5N3O2 103.0382 NA KEGG NA NA +C14595 Methylnitrosourea C2H5N3O2 103.0382 NA KEGG NA NA +HMDB02187 2-Methyl-3-hydroxybutanoic acid C4H7O3 103.03952 http://www.hmdb.ca/metabolites/HMDB02187 HMDB NA NA +HMDB02187 2-Methyl-3-hydroxybutanoic acid C4H7O3 103.03952 HMDB02187 PFEM_hmdb_metabocards_official NA NA +C09814 Benzonitrile C7H5N 103.0422 NA KEGG NA NA +CJpos0106 Methionine (and isomer) [(M+H)-(HCOOH)]+ C4H10NS 103.045075 C18rt(min)=1.08 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0106 Methionine (and isomer) [(M+H)-(HCOOH)]+ C4H10NS 103.045075 C18rt(min)=1.08 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ000456 2-Methylthiazolidine C4H9NS 103.045569 NA MeJP NA NA +EUR292 Methionine F3 F3 103.046775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR292 Methionine F3 NA 103.046775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR292 Methionine F3 F3 103.046775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR292 Methionine F3 NA 103.046775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR292 Methionine F3 F3 103.046775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR292 Methionine F3 NA 103.046775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR292 Methionine F3 F3 103.046775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR292 Methionine F3 F3 103.046775 standards wishlist analysés sur QTOF HMDB NA NA +EUR292 Methionine F3 F3 103.046775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR292 Methionine F3 NA 103.046775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR292 Methionine F3 F3 103.046775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR292 Methionine F3 F3 103.046775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0107 Aminobutyric acid (and isomers) [(M+H)]+ C4H10NO2 103.062775 C18rt(min)=0.9 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0107 Aminobutyric acid (and isomers) [(M+H)]+ C4H10NO2 103.062775 C18rt(min)=0.9 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +EUR601 N,N-Dimethylglycine [M+H]+ 103.0633 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR601 N,N-Dimethylglycine [M+H]+ 103.0633 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR601 N,N-Dimethylglycine [M+H]+ 103.0633 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR601 N,N-Dimethylglycine [M+H]+ 103.0633 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00334 4-Aminobutanoate C4H9NO2 103.0633 NA KEGG NA NA +C00335 Collagen type IV C4H9NO2 103.0633 NA KEGG NA NA +C01026 N,N-Dimethylglycine C4H9NO2 103.0633 NA KEGG NA NA +C01205 (R)-3-Amino-2-methylpropanoate C4H9NO2 103.0633 NA KEGG NA NA +C02261 D-2-Aminobutyrate C4H9NO2 103.0633 NA KEGG NA NA +C02356 (S)-2-Aminobutanoate C4H9NO2 103.0633 NA KEGG NA NA +C02721 N-Methyl-L-alanine C4H9NO2 103.0633 NA KEGG NA NA +C03284 L-3-Amino-isobutanoate C4H9NO2 103.0633 NA KEGG NA NA +C03665 2-Amino-2-methylpropanoate C4H9NO2 103.0633 NA KEGG NA NA +C05145 3-Aminoisobutyric acid C4H9NO2 103.0633 NA KEGG NA NA +C11109 HBA C4H9NO2 103.0633 NA KEGG NA NA +C11735 N-Ethylglycine C4H9NO2 103.0633 NA KEGG NA NA +MJ000457 N,N-Dimethylglycine C4H9NO2 103.063328 NA MeJP NA NA +MJ000458 3-Aminoisobutanoate C4H9NO2 103.063328 NA MeJP NA NA +MJ000459 4-Aminobutanoate C4H9NO2 103.063328 NA MeJP NA NA +MJ000460 L-3-Amino-isobutanoate C4H9NO2 103.063328 NA MeJP NA NA +MJ000461 2-Aminobutanoic acid C4H9NO2 103.063328 NA MeJP NA NA +MJ000462 2-Aminoethanol; O-Ac C4H9NO2 103.063328 NA MeJP NA NA +MJ000463 3-Amino-2-methylpropanoic acid C4H9NO2 103.063328 NA MeJP NA NA +MJ000464 3-Aminobutanoic acid C4H9NO2 103.063328 NA MeJP NA NA +MJ000465 4-Aminobutanoic acid C4H9NO2 103.063328 NA MeJP NA NA +EUR601 N,N-Dimethylglycine F1 103.063329 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +EUR601 N,N-Dimethylglycine F1 103.063329 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR601 N,N-Dimethylglycine F1 103.063329 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR601 N,N-Dimethylglycine F1 103.063329 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR601 N,N-Dimethylglycine F1 103.063329 identifiés dans standard mixture NuGO HMDB NA NA +EUR601 N,N-Dimethylglycine F1 103.063329 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +MetaCyc00326 DL-3-aminobutyrate [DL-3-aminobutyric acid;dl-β-amino-n-butyric acid;3-aminobutyric acid;3-aminobutanoic acid;butyric acid, 3-amino-, (.+/-.)-;butanoic acid, 3-amino-, (.+/-.)-;] C4H9N1O2 103.063329 NA metacyc NA NA +MetaCyc00327 (R)-3-Amino-2-methylpropanoate [] C4H9N1O2 103.063329 NA metacyc NA NA +MetaCyc00328 (S)-3-Amino-2-methylpropanoate [] C4H9N1O2 103.063329 NA metacyc NA NA +MetaCyc00329 N-Methyl-L-alanine [] C4H9N1O2 103.063329 3913-67-5 metacyc NA NA +MetaCyc00330 β-alanine-methyl-ester [] C4H9N1O2 103.063329 NA metacyc NA NA +MetaCyc00331 4-aminobutyrate [GABA;4-aminobutyric acid;4-aminobutanoate;γ-aminobutyrate;4-amino-n-butyric acid;γ-amino-n-butyric acid;] C4H9N1O2 103.063329 56-12-2 metacyc NA NA +MetaCyc00332 3-amino-isobutyrate [β-aminoisobutyrate;3-amino-isobutyric acid;3-aminoisobutyrate;] C4H9N1O2 103.063329 144-90-1 metacyc NA NA +MetaCyc00333 N-methyl-β-alanine [] C4H9N1O2 103.063329 NA metacyc NA NA +MetaCyc00334 dimethylglycine [N,N-dimethylglycine;] C4H9N1O2 103.063329 1118-68-9 metacyc NA NA +MetaCyc00335 2-aminobutyrate [2-aminobutyric acid;2-amino-n-butyric Acid;butyrine;α-aminobutyric acid;] C4H9N1O2 103.063329 2835-81-6 metacyc NA NA +EUR601 N,N-Dimethylglycine F1 103.063329 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR601 N,N-Dimethylglycine F1 103.063329 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +HMDB00092 Dimethylglycine C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00092 PFEM_hmdb_metabocards_urine NA urine +HMDB00112 gamma-Aminobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00112 PFEM_hmdb_metabocards_urine NA urine +HMDB00452 L-alpha-aminobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00452 PFEM_hmdb_metabocards_urine NA urine +HMDB02166 S-b-aminoisobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB02166 PFEM_hmdb_metabocards_urine NA urine +HMDB00092 Dimethylglycine C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00092 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00112 gamma-Aminobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00112 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00452 L-alpha-aminobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00452 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01906 2-Aminoisobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB01906 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02166 S-b-aminoisobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB02166 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03911 3-Aminoisobutanoic acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB03911 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00092 Dimethylglycine C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00092 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00112 gamma-Aminobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00112 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00452 L-alpha-aminobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00452 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02166 S-b-aminoisobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB02166 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00092 Dimethylglycine C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00092 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00112 gamma-Aminobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00112 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00452 L-alpha-aminobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00452 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02166 S-b-aminoisobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB02166 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00092 Dimethylglycine C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00092 HMDB NA NA +HMDB00112 gamma-Aminobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00112 HMDB NA NA +HMDB00452 L-alpha-aminobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00452 HMDB NA NA +HMDB00650 D-alpha-aminobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00650 HMDB NA NA +HMDB01906 2-Aminoisobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB01906 HMDB NA NA +HMDB02166 S-b-aminoisobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB02166 HMDB NA NA +HMDB02299 R-b-aminoisobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB02299 HMDB NA NA +HMDB03911 3-Aminoisobutanoic acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB03911 HMDB NA NA +HMDB00092 Dimethylglycine C4H9NO2 103.06333 NA ;SYN:(2S)-2-Acetylamino-3-(4-hydroxyphenyl)propanoate; (2S)-2-Acetylamino-3-(4-hydroxyphenyl)propanoic acid; L-N-Acetyltyrosine; L-N-acetyl-Tyrosine; N-Acetyl-L-tyrosine; N-Acetyl-tyrosine; N-Acetyltyrosine; N-acetyl-4-hydroxyphenylalanineH2Blood; Urine Inhouse_peptide NA peptide +HMDB00112 Gamma-Aminobutyric acid C4H9NO2 103.06333 NA ;SYN:(2S)-2-Amino-3-methylbutanoate; (2S)-2-Amino-3-methylbutanoic acid; (S)-2-Amino-3-methylbutanoate; (S)-2-Amino-3-methylbutanoic acid; (S)-2-Amino-3-methylbutyrate; (S)-2-Amino-3-methylbutyric acid; (S)-2-amino-3-methyl-Butanoate; (S)-2-amino-3-methyl-Butanoic acid; (S)-Valine; (S)-a-Amino-b-methylbutyrate; (S)-a-Amino-b-methylbutyric acid; 2-Amino-3-methylbutanoate; 2-Amino-3-methylbutanoic acid; 2-Amino-3-methylbutyrate; 2-Amino-3-methylbutyric acid; L-(+)-a-Aminoisovalerate; L-(+)-a-Aminoisovaleric acid; L-a-Amino-b-methylbutyrate; L-a-Amino-b-methylbutyric acid; L-valine; valine; (S)-alpha-Amino-beta-methylbutyrate; (S)-alpha-Amino-beta-methylbutyric acid; L-(+)-alpha-Aminoisovalerate; L-(+)-alpha-Aminoisovaleric acid; L-alpha-Amino-beta-methylbutyrate; L-alpha-Amino-beta-methylbutyric acidH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +HMDB00452 L-Alpha-aminobutyric acid C4H9NO2 103.06333 NA ;SYN:2-amino-5-(amino-dimethylamino-methylidene)amino-pentanoate; 2-amino-5-(amino-dimethylamino-methylidene)amino-pentanoic acid; ADMA; NG,NG-Dimethyl-L-arginine; NG,NG-dimethylarginine; NG-dimethylarginine; Asymmetric dimethylarginine; N(omega),N(omega)-dimethyl-L-arginine; Nomega,Nomega'-Dimethyl-L-arginineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB01906 2-Aminoisobutyric acid C4H9NO2 103.06333 NA ;SYN:(2R)-2,5-diaminopentanoate; (2R)-2,5-diaminopentanoic acid; (R)-ornithine; ornithineH2Blood; Urine Inhouse_peptide NA peptide +HMDB02166 (S)-b-aminoisobutyric acid C4H9NO2 103.06333 NA ;SYN:N-Acetyl-4-aminobutanoate; 4-Acetamidobutyric acid; N-acetyl-gamma-amino-n-butyric acid; N-Acetyl-4-aminobutyric acid; 4-(Acetylamino)butanoic acid; N-acetyl-gamma-aminobutyrate; N-acetyl-GABA; N4-Acetylaminobutanoate; N-Acetyl-4-aminobutanoic acid; 4-(Acetylamino)butanoate; N4-Acetylaminobutanoic acidH2Blood; Urine Inhouse_peptide NA peptide +HMDB03911 3-Aminoisobutanoic acid C4H9NO2 103.06333 Tetrapeptides ;SYN:L-threonyl-l-LYSYL-l-prolyl-l-arginine; Polytuftsin; Tuftsin polymerH2Blood Inhouse_peptide NA peptide +HMDB00092 Dimethylglycine C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00092 PFEM_hmdb_metabocards_blood NA blood +HMDB00112 gamma-Aminobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00112 PFEM_hmdb_metabocards_blood NA blood +HMDB00452 L-alpha-aminobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB00452 PFEM_hmdb_metabocards_blood NA blood +HMDB01906 2-Aminoisobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB01906 PFEM_hmdb_metabocards_blood NA blood +HMDB02166 S-b-aminoisobutyric acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB02166 PFEM_hmdb_metabocards_blood NA blood +HMDB03911 3-Aminoisobutanoic acid C4H9NO2 103.06333 http://www.hmdb.ca/metabolites/HMDB03911 PFEM_hmdb_metabocards_blood NA blood +HMDB00092 Dimethylglycine C4H9NO2 103.06333 HMDB00092 PFEM_hmdb_metabocards_official NA NA +HMDB00112 gamma-Aminobutyric acid C4H9NO2 103.06333 HMDB00112 PFEM_hmdb_metabocards_official NA NA +HMDB00452 L-alpha-aminobutyric acid C4H9NO2 103.06333 HMDB00452 PFEM_hmdb_metabocards_official NA NA +HMDB00650 D-alpha-aminobutyric acid C4H9NO2 103.06333 HMDB00650 PFEM_hmdb_metabocards_official NA NA +HMDB01906 2-Aminoisobutyric acid C4H9NO2 103.06333 HMDB01906 PFEM_hmdb_metabocards_official NA NA +HMDB02166 S-b-aminoisobutyric acid C4H9NO2 103.06333 HMDB02166 PFEM_hmdb_metabocards_official NA NA +HMDB02299 R-b-aminoisobutyric acid C4H9NO2 103.06333 HMDB02299 PFEM_hmdb_metabocards_official NA NA +HMDB03911 3-Aminoisobutanoic acid C4H9NO2 103.06333 HMDB03911 PFEM_hmdb_metabocards_official NA NA +LABER027 dimethylglycine NA 103.063332 RT 2.12; 2.40 fragt PFEM_hmdb_metabocards_urine NA urine +LABER057 dimethylglycine NA 103.063332 RT 2.08 fragt PFEM_hmdb_metabocards_urine NA urine +LABER027 dimethylglycine NA 103.063332 RT 2.12; 2.40 fragt BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER057 dimethylglycine NA 103.063332 RT 2.08 fragt BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER027 dimethylglycine NA 103.063332 RT 2.12; 2.40 fragt Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER057 dimethylglycine NA 103.063332 RT 2.08 fragt Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER027 dimethylglycine NA 103.063332 RT 2.12; 2.40 fragt banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER057 dimethylglycine NA 103.063332 RT 2.08 fragt banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER027 dimethylglycine NA 103.063332 RT 2.12; 2.40 fragt HMDB NA NA +LABER057 dimethylglycine NA 103.063332 RT 2.08 fragt HMDB NA NA +HMDB00092 Dimethylglycine C4H9NO2 103.063332 NA HMDB2010 NA NA +HMDB00112 Gamma-Aminobutyric acid C4H9NO2 103.063332 NA HMDB2010 NA NA +HMDB00452 L-Alpha-aminobutyric acid C4H9NO2 103.063332 NA HMDB2010 NA NA +HMDB00650 D-Alpha-aminobutyric acid C4H9NO2 103.063332 NA HMDB2010 NA NA +HMDB01906 2-Aminoisobutyric acid C4H9NO2 103.063332 NA HMDB2010 NA NA +HMDB02166 (S)-b-aminoisobutyric acid C4H9NO2 103.063332 NA HMDB2010 NA NA +HMDB02299 (R)-b-aminoisobutyric acid C4H9NO2 103.063332 NA HMDB2010 NA NA +HMDB03911 3-Aminoisobutanoic acid C4H9NO2 103.063332 NA HMDB2010 NA NA +LABER027 dimethylglycine NA 103.063332 RT 2.12; 2.40 fragt Inhouse_PFEM NA NA +LABER057 dimethylglycine NA 103.063332 RT 2.08 fragt Inhouse_PFEM NA NA +LABER027 dimethylglycine NA 103.063332 RT 2.12; 2.40 fragt Inhousejuil11 NA NA +LABER057 dimethylglycine NA 103.063332 RT 2.08 fragt Inhousejuil11 NA NA +LABER027 dimethylglycine NA 103.063332 RT 2.12; 2.40 fragt PFEM_hmdb_metabocards_blood NA blood +LABER057 dimethylglycine NA 103.063332 RT 2.08 fragt PFEM_hmdb_metabocards_blood NA blood +LABER027 dimethylglycine NA 103.063332 RT 2.12; 2.40 fragt PFEM_hmdb_metabocards_official NA NA +LABER057 dimethylglycine NA 103.063332 RT 2.08 fragt PFEM_hmdb_metabocards_official NA NA +MLBis020 N,N-Dimethylglycine HMDB00092_RT1.08_add 103.064 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis020 N,N-Dimethylglycine HMDB00092_RT1.08_add 103.064 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis020 N,N-Dimethylglycine HMDB00092_RT1.08_add 103.064 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis020 N,N-Dimethylglycine HMDB00092_RT1.08_add 103.064 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis020 N,N-Dimethylglycine HMDB00092_RT1.08_add 103.064 Mlbis HMDB NA NA +MLBis020 N,N-Dimethylglycine HMDB00092_RT1.08_add 103.064 Mlbis Inhouse_PFEM NA NA +MLBis020 N,N-Dimethylglycine HMDB00092_RT1.08_add 103.064 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis020 N,N-Dimethylglycine HMDB00092_RT1.08_add 103.064 Mlbis PFEM_hmdb_metabocards_official NA NA +CJpos0108 Choline [(M)]+ C5H14NO 103.099175 C18rt(min)=0.85 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0108 Choline [(M)]+ C5H14NO 103.099175 C18rt(min)=0.85 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ000466 1-Dimethylamino-2-propanol C5H13NO 103.099714 NA MeJP NA NA +MJ000467 Choline C5H14NO(+) 103.099714 NA MeJP NA NA +JH166 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-NH3]+ NA 103.9938 13.56 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH166 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-NH3]+ NA 103.9938 13.56 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH166 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-NH3]+ NA 103.9938 13.56 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH166 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-NH3]+ NA 103.9938 13.56 Inhousejuil11 NA NA +MJ000468 Carboxylatotrihydroborate(2-); Di-Na salt CH3BNa2O2 104.002149 NA MeJP NA NA +HMDB00691 Malonic acid C3H4O4 104.010956 NA HMDB2010 NA NA +HMDB01352 Hydroxypyruvic acid C3H4O4 104.010956 NA HMDB2010 NA NA +HMDB06938 Tartronate semialdehyde C3H4O4 104.010956 NA HMDB2010 NA NA +MJ000469 2-Hydroxy-3-oxopropanoate C3H4O4 104.010958 NA MeJP NA NA +MJ000470 Hydroxypyruvate C3H4O4 104.010958 NA MeJP NA NA +MJ000471 Malonate C3H4O4 104.010958 NA MeJP NA NA +MJ000472 3-Hydroxy-2-oxopropanoic acid C3H4O4 104.010958 NA MeJP NA NA +MJ000473 Propanedioic acid C3H4O4 104.010958 NA MeJP NA NA +MetaCyc00336 tartronate semialdehyde [2-hydroxy-3-oxopropanoate;tartronic semialdehyde;hydroxymalonaldehydic acid;tartronate-S-ald;] C3H4O4 104.010959 2480-77-5 metacyc NA NA +MetaCyc00337 hydroxypyruvate [OH-pyruvate;OH-pyr;3-hydroxypyruvate;] C3H4O4 104.010959 1113-60-6 metacyc NA NA +MetaCyc00338 malonate [propanedioic acid;malonic acid;] C3H4O4 104.010959 141-82-2 metacyc NA NA +MetaCyc00339 malonyl [] C3H4O4 104.010959 NA metacyc NA NA +HMDB00691 Malonic acid C3H4O4 104.01096 http://www.hmdb.ca/metabolites/HMDB00691 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00691 Malonic acid C3H4O4 104.01096 http://www.hmdb.ca/metabolites/HMDB00691 HMDB NA NA +HMDB01352 Hydroxypyruvic acid C3H4O4 104.01096 http://www.hmdb.ca/metabolites/HMDB01352 HMDB NA NA +HMDB06781 Tartronate semialdehyde C3H4O4 104.01096 http://www.hmdb.ca/metabolites/HMDB06781 HMDB NA NA +HMDB00691 Malonic acid C3H4O4 104.01096 http://www.hmdb.ca/metabolites/HMDB00691 PFEM_hmdb_metabocards_blood NA blood +HMDB00691 Malonic acid C3H4O4 104.01096 HMDB00691 PFEM_hmdb_metabocards_official NA NA +HMDB01352 Hydroxypyruvic acid C3H4O4 104.01096 HMDB01352 PFEM_hmdb_metabocards_official NA NA +HMDB06781 Tartronate semialdehyde C3H4O4 104.01096 HMDB06781 PFEM_hmdb_metabocards_official NA NA +C00168 Hydroxypyruvate C3H4O4 104.011 NA KEGG NA NA +C00383 Malonate C3H4O4 104.011 NA KEGG NA NA +C00384 Neomycin C12H25N4O5R 104.011 NA KEGG NA NA +C01146 2-Hydroxy-3-oxopropanoate C3H4O4 104.011 NA KEGG NA NA +CJneg0022 Malonic acid [(M-H)]- C3H3O4 104.011525 C18rt(min)=1.04 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0022 Malonic acid [(M-H)]- C3H3O4 104.011525 C18rt(min)=1.04 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ000474 Urea-1-carboxylate C2H4N2O3 104.022192 NA MeJP NA NA +MetaCyc00340 urea-1-carboxylate [allophanate;allophanic acid;] C2H4N2O3 104.022192 NA metacyc NA NA +C01010 Urea-1-carboxylate C2H4N2O3 104.0222 NA KEGG NA NA +JH092 Hippuric acid [M+H-glycine]+ NA 104.023 10.55 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH092 Hippuric acid [M+H-glycine]+ NA 104.023 10.55 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH092 Hippuric acid [M+H-glycine]+ NA 104.023 10.55 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH092 Hippuric acid [M+H-glycine]+ NA 104.023 10.55 Inhousejuil11 NA NA +CJpos0109 Hippuric acid [(M+H)-(C2H5NO2)]+ C7H5N0O 104.025675 C18rt(min)=5.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0109 Hippuric acid [(M+H)-(C2H5NO2)]+ C7H5N0O 104.025675 C18rt(min)=5.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MetaCyc00341 tetrahydrothiophene 1-oxide [] C4H8O1S1 104.029586 1600-44-8 metacyc NA NA +MetaCyc00342 3-methylthiopropanal [methional;3-methylthiopropional;3-methylthio-propionaldehyde;3-methylsulfanyl-propanal;3-methylmercapto-propionaldehyde;] C4H8O1S1 104.029586 NA metacyc NA NA +C02221 2-Cyanopyridine C6H4N2 104.0374 NA KEGG NA NA +C02234 4-Cyanopyridine C6H4N2 104.0374 NA KEGG NA NA +MetaCyc00343 3-cyanopyridine [] C6H4N2 104.037448 100-54-9 metacyc NA NA +HMDB00684 L-Kynurenine C10H12N2O3 104.0423965 MH2+ Inhouse_peptide NA peptide +C00989 4-Hydroxybutanoic acid C4H8O3 104.0473 NA KEGG NA NA +C01089 (R)-3-Hydroxybutanoate C4H8O3 104.0473 NA KEGG NA NA +C01188 3-Hydroxy-2-methylpropanoate C4H8O3 104.0473 NA KEGG NA NA +C01991 4-Hydroxyacid C4H8O3 104.0473 NA KEGG NA NA +C01992 5'-Nucleotide C5H10O7PR 104.0473 NA KEGG NA NA +C03197 (S)-3-Hydroxybutanoate C4H8O3 104.0473 NA KEGG NA NA +C05984 2-Hydroxybutanoic acid C4H8O3 104.0473 NA KEGG NA NA +C06001 (S)-3-Hydroxyisobutyrate C4H8O3 104.0473 NA KEGG NA NA +C14601 Methyl methoxyacetate C4H8O3 104.0473 NA KEGG NA NA +HMDB00008 2-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00008 PFEM_hmdb_metabocards_urine NA urine +HMDB00011 (R)-3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00011 PFEM_hmdb_metabocards_urine NA urine +HMDB00023 (S)-3-Hydroxyisobutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00023 PFEM_hmdb_metabocards_urine NA urine +HMDB00357 3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00357 PFEM_hmdb_metabocards_urine NA urine +HMDB00442 (S)-3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00442 PFEM_hmdb_metabocards_urine NA urine +HMDB00729 a-Hydroxyisobutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00729 PFEM_hmdb_metabocards_urine NA urine +LABER030 b-OHbutyric NA 104.04734 NA PFEM_hmdb_metabocards_urine NA urine +LABER030 b-OHbutyric NA 104.04734 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00008 2-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00008 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00011 (R)-3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00011 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00023 (S)-3-Hydroxyisobutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00023 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00357 3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00357 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00442 (S)-3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00442 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00710 4-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00710 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00729 a-Hydroxyisobutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00729 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER030 b-OHbutyric NA 104.04734 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00008 2-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00008 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00011 (R)-3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00011 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00023 (S)-3-Hydroxyisobutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00023 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00357 3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00357 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00442 (S)-3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00442 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00729 a-Hydroxyisobutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00729 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER030 b-OHbutyric NA 104.04734 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00008 2-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00008 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00011 (R)-3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00011 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00023 (S)-3-Hydroxyisobutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00023 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00357 3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00357 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00442 (S)-3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00442 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00729 a-Hydroxyisobutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00729 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00008 2-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00008 HMDB NA NA +HMDB00011 (R)-3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00011 HMDB NA NA +HMDB00023 (S)-3-Hydroxyisobutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00023 HMDB NA NA +HMDB00336 (R)-3-Hydroxyisobutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00336 HMDB NA NA +HMDB00357 3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00357 HMDB NA NA +HMDB00442 (S)-3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00442 HMDB NA NA +HMDB00710 4-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00710 HMDB NA NA +HMDB00729 a-Hydroxyisobutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00729 HMDB NA NA +HMDB00758 Hydroxybutanoic acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00758 HMDB NA NA +LABER030 b-OHbutyric NA 104.04734 NA HMDB NA NA +LABER030 b-OHbutyric NA 104.04734 NA Inhouse_PFEM NA NA +LABER030 b-OHbutyric NA 104.04734 NA Inhousejuil11 NA NA +HMDB00008 2-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00008 PFEM_hmdb_metabocards_blood NA blood +HMDB00011 (R)-3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00011 PFEM_hmdb_metabocards_blood NA blood +HMDB00023 (S)-3-Hydroxyisobutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00023 PFEM_hmdb_metabocards_blood NA blood +HMDB00357 3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00357 PFEM_hmdb_metabocards_blood NA blood +HMDB00442 (S)-3-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00442 PFEM_hmdb_metabocards_blood NA blood +HMDB00710 4-Hydroxybutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00710 PFEM_hmdb_metabocards_blood NA blood +HMDB00729 a-Hydroxyisobutyric acid C4H8O3 104.04734 http://www.hmdb.ca/metabolites/HMDB00729 PFEM_hmdb_metabocards_blood NA blood +LABER030 b-OHbutyric NA 104.04734 NA PFEM_hmdb_metabocards_blood NA blood +LABER030 b-OHbutyric NA 104.04734 NA PFEM_hmdb_metabocards_official NA NA +HMDB00008 2-Hydroxybutyric acid C4H8O3 104.04734 HMDB00008 PFEM_hmdb_metabocards_official NA NA +HMDB00011 (R)-3-Hydroxybutyric acid C4H8O3 104.04734 HMDB00011 PFEM_hmdb_metabocards_official NA NA +HMDB00023 (S)-3-Hydroxyisobutyric acid C4H8O3 104.04734 HMDB00023 PFEM_hmdb_metabocards_official NA NA +HMDB00336 (R)-3-Hydroxyisobutyric acid C4H8O3 104.04734 HMDB00336 PFEM_hmdb_metabocards_official NA NA +HMDB00357 3-Hydroxybutyric acid C4H8O3 104.04734 HMDB00357 PFEM_hmdb_metabocards_official NA NA +HMDB00442 (S)-3-Hydroxybutyric acid C4H8O3 104.04734 HMDB00442 PFEM_hmdb_metabocards_official NA NA +HMDB00710 4-Hydroxybutyric acid C4H8O3 104.04734 HMDB00710 PFEM_hmdb_metabocards_official NA NA +HMDB00729 a-Hydroxyisobutyric acid C4H8O3 104.04734 HMDB00729 PFEM_hmdb_metabocards_official NA NA +HMDB00758 Hydroxybutanoic acid C4H8O3 104.04734 HMDB00758 PFEM_hmdb_metabocards_official NA NA +HMDB00008 2-Hydroxybutyric acid C4H8O3 104.04734 NA HMDB2010 NA NA +HMDB00011 (R)-3-Hydroxybutyric acid C4H8O3 104.04734 NA HMDB2010 NA NA +HMDB00023 (S)-3-Hydroxyisobutyric acid C4H8O3 104.04734 NA HMDB2010 NA NA +HMDB00336 (R)-3-Hydroxyisobutyric acid C4H8O3 104.04734 NA HMDB2010 NA NA +HMDB00357 3-Hydroxybutyric acid C4H8O3 104.04734 NA HMDB2010 NA NA +HMDB00442 (S)-3-Hydroxybutyric acid C4H8O3 104.04734 NA HMDB2010 NA NA +HMDB00710 4-Hydroxybutyric acid C4H8O3 104.04734 NA HMDB2010 NA NA +HMDB00729 Alpha-Hydroxyisobutyric acid C4H8O3 104.04734 NA HMDB2010 NA NA +MJ000475 (R)-3-Hydroxybutanoate C4H8O3 104.047344 NA MeJP NA NA +MJ000476 (S)-3-Hydroxyisobutyrate C4H8O3 104.047344 NA MeJP NA NA +MJ000477 2-Hydroxybutyrate C4H8O3 104.047344 NA MeJP NA NA +MJ000478 4-Hydroxybutanoate C4H8O3 104.047344 NA MeJP NA NA +MJ000479 3-Hydroxybutanoic acid C4H8O3 104.047344 NA MeJP NA NA +MJ000480 4-Hydroxybutanoic acid C4H8O3 104.047344 NA MeJP NA NA +MJ000481 Ethoxyacetic acid C4H8O3 104.047344 NA MeJP NA NA +MetaCyc00344 D-3-hydroxy-butyrate [β-hydroxybutyrate;] C4H8O3 104.047344 300-85-6 metacyc NA NA +MetaCyc00345 3,4-dihydroxy-2-butanone [tetrolose;] C4H8O3 104.047344 NA metacyc NA NA +MetaCyc00346 methyl D-lactate [methyl (R)-lactate;] C4H8O3 104.047344 17392-83-5 metacyc NA NA +MetaCyc00347 2-hydroxybutyrate [2-hydroxybutyric acid;] C4H8O3 104.047344 19054-57-0 metacyc NA NA +MetaCyc00348 (R)-3-hydroxybutanoate [(R)-3-hydroxybutanoic acid;(R)-3-hydroxybutyric acid;] C4H8O3 104.047344 625-72-9 metacyc NA NA +MetaCyc00349 (S)-3-hydroxybutanoate [β-hydroxybutyrate;3-hydroxybutyric acid;3-hydroxybutanoic acid;3-hydroxybutyrate;(S)-hydroxybutanoate;(S)-3-hydroxybutanoic acid;(S)-3-hydroxybutyric acid;] C4H8O3 104.047344 NA metacyc NA NA +MetaCyc00350 4-hydroxybutyrate [4-hydroxybutanoate;4-OH-but;4-hydroxybutanoic acid;4-hydroxybutyric acid;] C4H8O3 104.047344 591-81-1 metacyc NA NA +MetaCyc00351 3-hydroxy-isobutyrate [3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyric acid;3-OH-iso-but;3-OH-isobutyrate;] C4H8O3 104.047344 2068-83-9 metacyc NA NA +MJ000482 2,3-Diaminopropanoic acid C3H8N2O2 104.058577 NA MeJP NA NA +MJ000483 Ethylurea; N'-Hydroxy C3H8N2O2 104.058577 NA MeJP NA NA +HMDB02006 2,3-Diaminopropionic acid C3H8N2O2 104.058578 NA HMDB2010 NA NA +MetaCyc00352 L-2,3-diaminopropanoate [] C3H8N2O2 104.058578 4033-39-0 metacyc NA NA +MetaCyc00353 2,3-diaminopropionate [2,3-diaminopropanoate;2,3-diaminopropionic acid;2,3-diaminopropanoic acid;] C3H8N2O2 104.058578 NA metacyc NA NA +HMDB02006 2,3-Diaminopropionic acid C3H8N2O2 104.05858 http://www.hmdb.ca/metabolites/HMDB02006 HMDB NA NA +HMDB02006 2,3-Diaminopropionic acid C3H8N2O2 104.05858 HMDB02006 PFEM_hmdb_metabocards_official NA NA +C03401 L-2,3-Diaminopropanoate C3H8N2O2 104.0586 NA KEGG NA NA +C03402 L-Asparaginyl-tRNA(Asn) C14H23N2O12PR2 104.0586 NA KEGG NA NA +C06393 2,3-Diaminopropanoate C3H8N2O2 104.0586 NA KEGG NA NA +C07083 Styrene C8H8 104.0626 NA KEGG NA NA +MJ000484 Styrene C8H8 104.0626 NA MeJP NA NA +MetaCyc00354 styrene [] C8H8 104.0626 100-42-5 metacyc NA NA +CJpos0110 Aminobutyric acid (and isomers) [(M+H)]+ (13C) C313CH10NO2 104.066175 C18rt(min)=0.9 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0110 Aminobutyric acid (and isomers) [(M+H)]+ (13C) C313CH10NO2 104.066175 C18rt(min)=0.9 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ000485 1,4-Diamino-2-butanol C4H12N2O 104.094963 NA MeJP NA NA +CJpos0111 Choline [(M]+ (13C) C413CH14NO 104.102475 C18rt(min)=0.85 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0111 Choline [(M]+ (13C) C413CH14NO 104.102475 C18rt(min)=0.85 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C00114 Choline C5H14NO 104.1075 NA KEGG NA NA +HMDB00097 Choline C5H14NO 104.107536 NA HMDB2010 NA NA +MJ000486 Choline C5H14NO 104.107539 NA MeJP NA NA +MetaCyc00355 choline [] C5H14N1O1 104.107539 123-41-1 metacyc NA NA +HMDB00097 Choline C5H14NO 104.10754 http://www.hmdb.ca/metabolites/HMDB00097 PFEM_hmdb_metabocards_urine NA urine +HMDB00097 Choline C5H14NO 104.10754 http://www.hmdb.ca/metabolites/HMDB00097 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00097 Choline C5H14NO 104.10754 http://www.hmdb.ca/metabolites/HMDB00097 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00097 Choline C5H14NO 104.10754 http://www.hmdb.ca/metabolites/HMDB00097 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00097 Choline C5H14NO 104.10754 http://www.hmdb.ca/metabolites/HMDB00097 HMDB NA NA +HMDB00097 Choline C5H14NO 104.10754 NA ;SYN:1H-Imidazole-4-ethanamine; 2-(1H-Imidazol-4-yl)ethanamine; 2-(1H-Imidazol-4-yl)ethylamine; 2-(1H-Imidazol-5-yl)ethanamine; 2-(1H-Imidazol-5-yl)ethylamine; 2-(4-Imidazolyl)ethanamine; 2-(4-Imidazolyl)ethylamine; 2-imidazol-4-yl-Ethylamine; 2-imidazol-4-ylethylamine; 4-(2-Aminoethyl)-1H-imidazole; 4-(2-Aminoethyl)imidazole; 4-Imidazoleethylamine; 5-Imidazoleethylamine; b-Imidazolyl-4-ethylamine; beta-Aminoethylglyoxaline; beta-Aminoethylimidazole; beta-aminothethylglyoxaline; beta-Imidazolyl-4-ethylamine; Eramin; Ergamine; Ergotidine; Free histamine; Histamine; HSM; L-Histamin base; L-Histamine; TheramineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00097 Choline C5H14NO 104.10754 http://www.hmdb.ca/metabolites/HMDB00097 PFEM_hmdb_metabocards_blood NA blood +HMDB00097 Choline C5H14NO 104.10754 HMDB00097 PFEM_hmdb_metabocards_official NA NA +MJ000487 Nitrourea CH3N3O3 105.01744 NA MeJP NA NA +MJ000488 Thiocarbamic acid; OH-form, O-Et ester C3H7NOS 105.024834 NA MeJP NA NA +MJ000489 Thiocarbamic acid; SH-form, S-Et ester C3H7NOS 105.024834 NA MeJP NA NA +CJpos0112 Hippuric acid [(M+H)-(C2H5NO2)]+ (13C) C613CH5N0O 105.028975 C18rt(min)=5.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0112 Hippuric acid [(M+H)-(C2H5NO2)]+ (13C) C613CH5N0O 105.028975 C18rt(min)=5.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +C02018 Cyanopyrazine C5H3N3 105.0327 NA KEGG NA NA +CJpos0113 Serine [M+H]+ C3H8O3N 105.042075 C18rt(min)=0.85 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0113 Serine [M+H]+ C3H8O3N 105.042075 C18rt(min)=0.85 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB00187 L-Serine C3H7NO3 105.04259 http://www.hmdb.ca/metabolites/HMDB00187 PFEM_hmdb_metabocards_urine NA urine +HMDB00187 L-Serine C3H7NO3 105.04259 http://www.hmdb.ca/metabolites/HMDB00187 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03406 D-Serine C3H7NO3 105.04259 http://www.hmdb.ca/metabolites/HMDB03406 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00187 L-Serine C3H7NO3 105.04259 http://www.hmdb.ca/metabolites/HMDB00187 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00187 L-Serine C3H7NO3 105.04259 http://www.hmdb.ca/metabolites/HMDB00187 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00187 L-Serine C3H7NO3 105.04259 http://www.hmdb.ca/metabolites/HMDB00187 HMDB NA NA +HMDB03406 D-Serine C3H7NO3 105.04259 http://www.hmdb.ca/metabolites/HMDB03406 HMDB NA NA +HMDB00187 L-Serine C3H7NO3 105.04259 http://www.hmdb.ca/metabolites/HMDB00187 PFEM_hmdb_metabocards_blood NA blood +HMDB03406 D-Serine C3H7NO3 105.04259 http://www.hmdb.ca/metabolites/HMDB03406 PFEM_hmdb_metabocards_blood NA blood +HMDB00187 L-Serine C3H7NO3 105.04259 HMDB00187 PFEM_hmdb_metabocards_official NA NA +HMDB03406 D-Serine C3H7NO3 105.04259 HMDB03406 PFEM_hmdb_metabocards_official NA NA +MJ000490 N-Hydroxyalanine C3H7NO3 105.042593 NA MeJP NA NA +MJ000491 Serine C3H7NO3 105.042593 NA MeJP NA NA +MJ000492 D-Serine C3H7NO3 105.042593 NA MeJP NA NA +MJ000493 L-Serine C3H7NO3 105.042593 NA MeJP NA NA +MetaCyc00356 D-serine [] C3H7N1O3 105.042593 312-84-5 metacyc NA NA +MetaCyc00357 L-serine [S;serine;ser;L-ser;] C3H7N1O3 105.042593 56-45-1 metacyc NA NA +EUR036 Serine C3H7NO3 105.042594 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR036 Serine C3H7NO3 105.042594 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR036 Serine C3H7NO3 105.042594 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR036 Serine C3H7NO3 105.042594 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR036 Serine C3H7NO3 105.042594 Wishlist HMDB NA NA +EUR036 Serine C3H7NO3 105.042594 Wishlist Inhouse_PFEM NA NA +EUR036 Serine C3H7NO3 105.042594 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR036 Serine C3H7NO3 105.042594 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00187 L-Serine C3H7NO3 105.042595 NA HMDB2010 NA NA +HMDB03406 D-Serine C3H7NO3 105.042595 NA HMDB2010 NA NA +LABER010 Serine C3H7NO3 105.0426 RT 1.93 fragt 106, 60, 42, 70 PFEM_hmdb_metabocards_urine NA urine +EUR036 Serine C3H7NO3 105.0426 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER010 Serine C3H7NO3 105.0426 RT 1.93 fragt 106, 60, 42, 70 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR036 Serine C3H7NO3 105.0426 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER010 Serine C3H7NO3 105.0426 RT 1.93 fragt 106, 60, 42, 70 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR036 Serine C3H7NO3 105.0426 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER010 Serine C3H7NO3 105.0426 RT 1.93 fragt 106, 60, 42, 70 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER010 Serine C3H7NO3 105.0426 RT 1.93 fragt 106, 60, 42, 70 HMDB NA NA +LABER010 Serine C3H7NO3 105.0426 RT 1.93 fragt 106, 60, 42, 70 Inhouse_PFEM NA NA +EUR036 Serine C3H7NO3 105.0426 Wishlist Inhousejuil11 NA NA +LABER010 Serine C3H7NO3 105.0426 RT 1.93 fragt 106, 60, 42, 70 Inhousejuil11 NA NA +C00065 L-Serine C3H7NO3 105.0426 NA KEGG NA NA +C00066 tRNA C10H17O10PR2 105.0426 NA KEGG NA NA +C00716 DL-Serine C3H7NO3 105.0426 NA KEGG NA NA +C00717 Alditol C2H5O2R 105.0426 NA KEGG NA NA +C00718 Amylose C2H5O2R 105.0426 NA KEGG NA NA +C00740 D-Serine C3H7NO3 105.0426 NA KEGG NA NA +PJ000003 S C3H7NO3 105.0426 NA PeJP NA NA +LABER010 Serine C3H7NO3 105.0426 RT 1.93 fragt 106, 60, 42, 70 PFEM_hmdb_metabocards_blood NA blood +LABER010 Serine C3H7NO3 105.0426 RT 1.93 fragt 106, 60, 42, 70 PFEM_hmdb_metabocards_official NA NA +HMDB00187 L-Serine C3H7NO3 105.0426 Tripeptides ;SYN:(Des-Gly)-Glutathione; 3GC; 5-L-Glutamyl-L-cysteine; H-Glu(Cys-OH)-OH; H-gamma-Glu-Cys-OH; L-g-Glutamyl-L-cysteine; L-gamma-Glutamylcysteine; N-(1-carboxy-2-mercaptoethyl)-L-Glutamine; N-L-gamma-glutamyl-L-Cysteine; g-Glutamylcysteine; g-L-Glutamyl-L-cysteine; gamma-Glu-cys; gamma-Glutamylcysteine; gamma-L-Glutamyl-L-cysteine; xN-L-g-glutamyl-Glutamine; L-gamma-Glutamyl-L-cysteine; xN-L-gamma-glutamyl-Glutamine; 5-L-glutamylcysteineH2Blood; Urine Inhouse_peptide NA peptide +HMDB03406 D-Serine C3H7NO3 105.0426 NA ;SYN:N,n-dimethyl-l-proline; L-proline betaine; (S)-2-carboxy-1,1-dimethylpyrrolidinium; (2S)-2-carboxy-1,1-dimethylpyrrolidinium; Prestwick-08G03; Homostachydrine; StachydrineH2Blood; Urine Inhouse_peptide NA peptide +EUR441 Serine F1 NA 105.042875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR441 Serine F1 NA 105.042875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR441 Serine F1 NA 105.042875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR441 Serine F1 NA 105.042875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +CJneg0023 Serine [M-H]- C3H6O3N 105.043125 C18rt(min)=0.85 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0023 Serine [M-H]- C3H6O3N 105.043125 C18rt(min)=0.85 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ000494 1,2-Ethanediamine; N-Nitro C2H7N3O2 105.053826 NA MeJP NA NA +MetaCyc00358 4-vinylpyridine [] C7H7N1 105.057849 NA metacyc NA NA +C03354 3-Methylthiopropanamine C4H11NS 105.0612 NA KEGG NA NA +MJ000495 3-(Methylthio)propylamine C4H11NS 105.06122 NA MeJP NA NA +MetaCyc00359 3-methylthiopropanamine [] C4H11N1S1 105.06122 NA metacyc NA NA +MJ000496 Diethanolamine C4H11NO2 105.078978 NA MeJP NA NA +HMDB04437 Diethanolamine C4H11NO2 105.078979 NA HMDB2010 NA NA +HMDB04437 Diethanolamine C4H11NO2 105.07898 http://www.hmdb.ca/metabolites/HMDB04437 HMDB NA NA +HMDB04437 Diethanolamine C4H11NO2 105.07898 HMDB04437 PFEM_hmdb_metabocards_official NA NA +C06772 Diethanolamine C4H11NO2 105.079 NA KEGG NA NA +C11260 2-Amino-2-methyl-1,3-propandiol C4H11NO2 105.079 NA KEGG NA NA +HMDB01434 3-Methoxytyrosine C10H13NO4 105.5422285 MH2+ Inhouse_peptide NA peptide +MetaCyc00360 Pd2+ [Pd2+;Pd++;Pd+2;] PD1 105.903483 NA metacyc NA NA +MJ000497 cis-3-Chloroacrylic acid C3H3ClO2 105.982157 NA MeJP NA NA +MJ000498 trans-3-Chloroacrylic acid C3H3ClO2 105.982157 NA MeJP NA NA +MJ000499 2-Chloro-2-propenoic acid C3H3ClO2 105.982157 NA MeJP NA NA +MJ000500 3-Chloro-2-propenoic acid C3H3ClO2 105.982157 NA MeJP NA NA +HMDB06914 cis-3-Chloroacrylic acid C3H3ClO2 105.98216 http://www.hmdb.ca/metabolites/HMDB06914 HMDB NA NA +HMDB06919 trans 3 Chloroacrylic acid C3H3ClO2 105.98216 http://www.hmdb.ca/metabolites/HMDB06919 HMDB NA NA +HMDB06914 cis-3-Chloroacrylic acid C3H3ClO2 105.98216 HMDB06914 PFEM_hmdb_metabocards_official NA NA +HMDB06919 trans 3 Chloroacrylic acid C3H3ClO2 105.98216 HMDB06919 PFEM_hmdb_metabocards_official NA NA +C06614 trans-3-Chloroacrylic acid C3H3ClO2 105.9822 NA KEGG NA NA +C06615 cis-3-Chloroacrylic acid C3H3ClO2 105.9822 NA KEGG NA NA +MetaCyc00361 S-methylthioglycolate [(methylthio)acetic acid;] C3H6O2S1 106.00885 2444-37-3 metacyc NA NA +MetaCyc00362 3-mercaptopropionate [3-mercaptopropanoic acid;3-thiopropionic acid;3-thiopropanoic acid;β-thiopropionic acid;] C3H6O2S1 106.00885 NA metacyc NA NA +C03173 S-Methylthioglycolate C3H6O2S 106.0089 NA KEGG NA NA +C00258 D-Glycerate C3H6O4 106.0266 NA KEGG NA NA +MJ000501 2,3-Dihydroxypropanoic acid C3H6O4 106.026608 NA MeJP NA NA +MJ000502 D-Glycerate C3H6O4 106.026608 NA MeJP NA NA +MetaCyc00363 glycerate [(R)-glycerate;D-glycerate;] C3H6O4 106.026609 6000-40-4 metacyc NA NA +HMDB00139 Glyceric acid C3H6O4 106.02661 http://www.hmdb.ca/metabolites/HMDB00139 PFEM_hmdb_metabocards_urine NA urine +HMDB06372 L-Glyceric acid C3H6O4 106.02661 http://www.hmdb.ca/metabolites/HMDB06372 PFEM_hmdb_metabocards_urine NA urine +HMDB00139 Glyceric acid C3H6O4 106.02661 http://www.hmdb.ca/metabolites/HMDB00139 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06372 L-Glyceric acid C3H6O4 106.02661 http://www.hmdb.ca/metabolites/HMDB06372 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00139 Glyceric acid C3H6O4 106.02661 http://www.hmdb.ca/metabolites/HMDB00139 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB06372 L-Glyceric acid C3H6O4 106.02661 http://www.hmdb.ca/metabolites/HMDB06372 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00139 Glyceric acid C3H6O4 106.02661 http://www.hmdb.ca/metabolites/HMDB00139 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB06372 L-Glyceric acid C3H6O4 106.02661 http://www.hmdb.ca/metabolites/HMDB06372 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00139 Glyceric acid C3H6O4 106.02661 http://www.hmdb.ca/metabolites/HMDB00139 HMDB NA NA +HMDB06372 L-Glyceric acid C3H6O4 106.02661 http://www.hmdb.ca/metabolites/HMDB06372 HMDB NA NA +HMDB00139 Glyceric acid C3H6O4 106.02661 http://www.hmdb.ca/metabolites/HMDB00139 PFEM_hmdb_metabocards_blood NA blood +HMDB06372 L-Glyceric acid C3H6O4 106.02661 http://www.hmdb.ca/metabolites/HMDB06372 PFEM_hmdb_metabocards_blood NA blood +HMDB00139 Glyceric acid C3H6O4 106.02661 HMDB00139 PFEM_hmdb_metabocards_official NA NA +HMDB06372 L-Glyceric acid C3H6O4 106.02661 HMDB06372 PFEM_hmdb_metabocards_official NA NA +HMDB00139 Glyceric acid C3H6O4 106.026611 NA HMDB2010 NA NA +HMDB06372 L-Glyceric acid C3H6O4 106.026611 NA HMDB2010 NA NA +CJneg0024 Glyceric acid [(M-H)]- C3H5O4 106.027125 C18rt(min)=0.92 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0024 Glyceric acid [(M-H)]- C3H5O4 106.027125 C18rt(min)=0.92 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C11214 Thiocarbohydrazide CH6N4S 106.0313 NA KEGG NA NA +JH190 Phloretin (fragment1) NA 106.0368 17.67 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH190 Phloretin (fragment1) NA 106.0368 17.67 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH190 Phloretin (fragment1) NA 106.0368 17.67 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH190 Phloretin (fragment1) NA 106.0368 17.67 Inhousejuil11 NA NA +MJ000503 2-Aminoethanol nitrate C2H6N2O3 106.037842 NA MeJP NA NA +7601 ACE inhibitor GH 106.0395 MH2+ Inhouse_peptide NA peptide +7614 ACE inhibitor HG 106.0395 MH2+ Inhouse_peptide NA peptide +CJpos0114 Tyrosine isomer [(M+H)-(C2H5NO2)]+ C7H7N0O 106.041275 C18rt(min)=6.02 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0115 Tetrahydrohippuric acid [(M+H)-(C2H7NO2)]+ C7H7N0O 106.041275 C18rt(min)=6.33 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0114 Tyrosine isomer [(M+H)-(C2H5NO2)]+ C7H7N0O 106.041275 C18rt(min)=6.02 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0115 Tetrahydrohippuric acid [(M+H)-(C2H7NO2)]+ C7H7N0O 106.041275 C18rt(min)=6.33 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB06115 Benzaldehyde C7H6O 106.04186 http://www.hmdb.ca/metabolites/HMDB06115 HMDB NA NA +HMDB06115 Benzaldehyde C7H6O 106.04186 HMDB06115 PFEM_hmdb_metabocards_official NA NA +HMDB06115 Benzaldehyde C7H6O 106.041862 NA HMDB2010 NA NA +MJ000504 Benzaldehyde C7H6O 106.041864 NA MeJP NA NA +MetaCyc00364 benzaldehyde [benzanoaldehyde;] C7H6O1 106.041865 100-52-7 metacyc NA NA +EUR256 Norepinephrine F4 F4 106.041875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR256 Norepinephrine F4 NA 106.041875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR256 Norepinephrine F4 F4 106.041875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR256 Norepinephrine F4 NA 106.041875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR256 Norepinephrine F4 F4 106.041875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR256 Norepinephrine F4 NA 106.041875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR256 Norepinephrine F4 F4 106.041875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR256 Norépinephrine F4 F4 106.041875 standards wishlist analysés sur QTOF HMDB NA NA +EUR256 Norepinephrine F4 F4 106.041875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR256 Norepinephrine F4 NA 106.041875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR256 Norepinephrine F4 F4 106.041875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR256 Norepinephrine F4 F4 106.041875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C00193 Aromatic aldehyde C7H6O 106.0419 NA KEGG NA NA +C00261 Benzaldehyde C7H6O 106.0419 NA KEGG NA NA +MJ000505 4-Fluorobutanoic acid C4H7FO2 106.043007 NA MeJP NA NA +MJ000506 3-Mercapto-1-propanol; S-Me C4H10OS 106.045235 NA MeJP NA NA +MetaCyc00365 methionol [3-methylthiopropanol;3-methylmercapto-1-propanol;3-hydroxypropyl methyl sulfide;γ-methylmercaptopropyl alcohol;3-methylsulfanyl-1-propanol;] C4H10O1S1 106.045236 NA metacyc NA NA +3170 dipeptidyl peptidase IV inhibitor PP 106.052 MH2+ Inhouse_peptide NA peptide +7836 ACE inhibitor PP 106.052 MH2+ Inhouse_peptide NA peptide +MJ000507 1,2,3-Butanetriol C4H10O3 106.062994 NA MeJP NA NA +C14689 Diethylene glycol C4H10O3 106.063 NA KEGG NA NA +MJ000508 Ethylbenzene C8H10 106.07825 NA MeJP NA NA +MJ000509 m-Xylene C8H10 106.07825 NA MeJP NA NA +MJ000510 o-Xylene C8H10 106.07825 NA MeJP NA NA +MJ000511 p-Xylene C8H10 106.07825 NA MeJP NA NA +MJ000512 1,2-Dimethylbenzene C8H10 106.07825 NA MeJP NA NA +MetaCyc00366 ethylbenzene [] C8H10 106.07825 NA metacyc NA NA +MetaCyc00367 m-xylene [meta-xylene;m-xylene;dimethylbenzene;xylol;] C8H10 106.07825 NA metacyc NA NA +MetaCyc00368 p-xylene [para-xylene;p-xylene;dimethylbenzene;] C8H10 106.07825 106-42-3 metacyc NA NA +MetaCyc00369 o-xylene [ortho-xylene;o-xylene;dimethylbenzene;] C8H10 106.07825 NA metacyc NA NA +C06756 p-Xylene C8H10 106.0783 NA KEGG NA NA +C07111 Ethylbenzene C8H10 106.0783 NA KEGG NA NA +C07208 m-Xylene C8H10 106.0783 NA KEGG NA NA +C07212 o-Xylene C8H10 106.0783 NA KEGG NA NA +HMDB02659 Silver [Ag]+ 106.905098 NA HMDB2010 NA NA +HMDB02659 Silver Ag 106.9051 http://www.hmdb.ca/metabolites/HMDB02659 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02659 Silver Ag 106.9051 http://www.hmdb.ca/metabolites/HMDB02659 HMDB NA NA +C06710 Silver Ag 106.9051 NA KEGG NA NA +HMDB02659 Silver Ag 106.9051 http://www.hmdb.ca/metabolites/HMDB02659 PFEM_hmdb_metabocards_blood NA blood +HMDB02659 Silver Ag 106.9051 HMDB02659 PFEM_hmdb_metabocards_official NA NA +MJ000513 Chloromethyl thiocyanate C2H2ClNS 106.959647 NA MeJP NA NA +JH012 Taurine [M+H-H20]+ NA 107.0045 1.28 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH012 Taurine [M+H-H20]+ NA 107.0045 1.28 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH012 Taurine [M+H-H20]+ NA 107.0045 1.28 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH012 Taurine [M+H-H20]+ NA 107.0045 1.28 Inhousejuil11 NA NA +C06876 Nitrosobenzene C6H5NO 107.0371 NA KEGG NA NA +C07327 Pyridine-3-aldehyde C6H5NO 107.0371 NA KEGG NA NA +C17500 6-Iminocyclohexa-2,4-dienone C6H5NO 107.0371 NA KEGG NA NA +MJ000514 Nitrosobenzene C6H5NO 107.037113 NA MeJP NA NA +MetaCyc00370 nitrosobenzene [] C6H5N1O1 107.037114 586-96-9 metacyc NA NA +C02638 3-Fluoro-D-alanine C3H6FNO2 107.0383 NA KEGG NA NA +C16632 alpha-Fluoro-beta-alanine C3H6FNO2 107.0383 NA KEGG NA NA +CJpos0116 Tyrosine isomer [(M+H)-(C2H5NO2)]+ (13C) C613CH7N0O 107.044675 C18rt(min)=6.02 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0116 Tyrosine isomer [(M+H)-(C2H5NO2)]+ (13C) C613CH7N0O 107.044675 C18rt(min)=6.02 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +3181 dipeptidyl-aminopeptidase IV inhibitor VP 107.06 MH2+ Inhouse_peptide NA peptide +7587 ACE inhibitor VP 107.06 MH2+ Inhouse_peptide NA peptide +MJ000515 Benzylamine C7H9N 107.073499 NA MeJP NA NA +MetaCyc00371 N-methylaniline [] C7H9N1 107.073499 100-61-8 metacyc NA NA +C02299 N-Methylaniline C7H9N 107.0735 NA KEGG NA NA +C02301 O-Acylcarnitine C8H14NO4R 107.0735 NA KEGG NA NA +C02302 Oligoxyloglucan C8H14NO4R 107.0735 NA KEGG NA NA +C02303 Peptidylglycine C4H7N2O3R 107.0735 NA KEGG NA NA +C14403 2-Aminotoluene C7H9N 107.0735 NA KEGG NA NA +C15562 Benzylamine C7H9N 107.0735 NA KEGG NA NA +MJ000516 Trihydro(4-methylpyridine)boron C6H10BN 107.090629 NA MeJP NA NA +HMDB01885 3-Chlorotyrosine C9H10ClNO3 107.5174635 MH2+ Inhouse_peptide NA peptide +C12218 Fe(CN)2 C2FeN2 107.9411 NA KEGG NA NA +MJ000517 Bromoethane C2H5Br 107.957462 NA MeJP NA NA +MJ000518 Ethyl methyl disulfide C3H8S2 108.006741 NA MeJP NA NA +CJpos0117 4-Pyridoxic acid isomer [(M+H)-(C2H5NO2)]+ C6H5N0O2 108.020575 C18rt(min)=5.6 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0117 4-Pyridoxic acid isomer [(M+H)-(C2H5NO2)]+ C6H5N0O2 108.020575 C18rt(min)=5.6 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +JH016 Phloroglucinol [M+H-H20]+ NA 108.0206 4.44 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH016 Phloroglucinol [M+H-H20]+ NA 108.0206 4.44 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH016 Phloroglucinol [M+H-H20]+ NA 108.0206 4.44 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH016 Phloroglucinol [M+H-H20]+ NA 108.0206 4.44 Inhousejuil11 NA NA +C00472 p-Benzoquinone C6H4O2 108.0211 NA KEGG NA NA +C02351 o-Benzoquinone C6H4O2 108.0211 NA KEGG NA NA +C02352 1,4-beta-D-Xylan C6H4O2 108.0211 NA KEGG NA NA +HMDB03364 Quinone C6H4O2 108.021126 NA HMDB2010 NA NA +HMDB12133 1,2-Benzoquinone C6H4O2 108.021126 NA HMDB2010 NA NA +MJ000519 1,4-Benzoquinone C6H4O2 108.021129 NA MeJP NA NA +MJ000520 Quinone C6H4O2 108.021129 NA MeJP NA NA +MetaCyc00372 p-benzoquinone [2,5-cyclohexadiene-1,4-dione;chinone;quinone;] C6H4O2 108.021129 NA metacyc NA NA +MetaCyc00373 1,2-benzoquinone [] C6H4O2 108.021129 NA metacyc NA NA +HMDB03364 Quinone C6H4O2 108.02113 http://www.hmdb.ca/metabolites/HMDB03364 HMDB NA NA +HMDB03364 Quinone C6H4O2 108.02113 HMDB03364 PFEM_hmdb_metabocards_official NA NA +CJpos0118 Imidazoleacetic acid isomers [(M+H)-(H2O)]+ C5H5N2O 108.031775 C18rt(min)=0.94 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0118 Imidazoleacetic acid isomers [(M+H)-(H2O)]+ C5H5N2O 108.031775 C18rt(min)=0.94 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ000521 2-Amino-3-fluoropropanoic acid, 2-Deutero compd. C3H5DFNO2 108.044533 NA MeJP NA NA +7833 ACE inhibitor PT 108.0495 MH2+ Inhouse_peptide NA peptide +CJpos0119 Tetrahydrohippuric acid [(M+H)-(C2H5NO2)]+ C7H9N0O 108.056975 C18rt(min)=6.33 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0119 Tetrahydrohippuric acid [(M+H)-(C2H5NO2)]+ C7H9N0O 108.056975 C18rt(min)=6.33 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C00556 Benzyl alcohol C7H8O 108.0575 NA KEGG NA NA +C01403 Anisole C7H8O 108.0575 NA KEGG NA NA +C01467 3-Cresol C7H8O 108.0575 NA KEGG NA NA +C01468 4-Cresol C7H8O 108.0575 NA KEGG NA NA +C01469 ADP-sugar C10H14N5O10P2R 108.0575 NA KEGG NA NA +C01542 o-Cresol C7H8O 108.0575 NA KEGG NA NA +C03485 Aromatic primary alcohol C7H8O 108.0575 NA KEGG NA NA +HMDB01858 p-Cresol C7H8O 108.05751 http://www.hmdb.ca/metabolites/HMDB01858 PFEM_hmdb_metabocards_urine NA urine +HMDB01858 p-Cresol C7H8O 108.05751 http://www.hmdb.ca/metabolites/HMDB01858 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02048 m-Cresol C7H8O 108.05751 http://www.hmdb.ca/metabolites/HMDB02048 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02055 o-Cresol C7H8O 108.05751 http://www.hmdb.ca/metabolites/HMDB02055 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01858 p-Cresol C7H8O 108.05751 http://www.hmdb.ca/metabolites/HMDB01858 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01858 p-Cresol C7H8O 108.05751 http://www.hmdb.ca/metabolites/HMDB01858 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01858 p-Cresol C7H8O 108.05751 http://www.hmdb.ca/metabolites/HMDB01858 HMDB NA NA +HMDB02048 m-Cresol C7H8O 108.05751 http://www.hmdb.ca/metabolites/HMDB02048 HMDB NA NA +HMDB02055 o-Cresol C7H8O 108.05751 http://www.hmdb.ca/metabolites/HMDB02055 HMDB NA NA +HMDB03119 Benzyl alcohol C7H8O 108.05751 http://www.hmdb.ca/metabolites/HMDB03119 HMDB NA NA +HMDB01858 p-Cresol C7H8O 108.05751 http://www.hmdb.ca/metabolites/HMDB01858 PFEM_hmdb_metabocards_blood NA blood +HMDB02048 m-Cresol C7H8O 108.05751 http://www.hmdb.ca/metabolites/HMDB02048 PFEM_hmdb_metabocards_blood NA blood +HMDB02055 o-Cresol C7H8O 108.05751 http://www.hmdb.ca/metabolites/HMDB02055 PFEM_hmdb_metabocards_blood NA blood +HMDB01858 p-Cresol C7H8O 108.05751 HMDB01858 PFEM_hmdb_metabocards_official NA NA +HMDB02048 m-Cresol C7H8O 108.05751 HMDB02048 PFEM_hmdb_metabocards_official NA NA +HMDB02055 o-Cresol C7H8O 108.05751 HMDB02055 PFEM_hmdb_metabocards_official NA NA +HMDB03119 Benzyl alcohol C7H8O 108.05751 HMDB03119 PFEM_hmdb_metabocards_official NA NA +MJ000522 2-Methylphenol C7H8O 108.057514 NA MeJP NA NA +MJ000523 3-Methylphenol C7H8O 108.057514 NA MeJP NA NA +MJ000524 4,6-Heptadiyn-3-ol C7H8O 108.057514 NA MeJP NA NA +MJ000525 4-Methylphenol C7H8O 108.057514 NA MeJP NA NA +MJ000526 Benzyl alcohol C7H8O 108.057514 NA MeJP NA NA +MJ000527 3-Cresol C7H8O 108.057514 NA MeJP NA NA +MJ000528 4-Cresol C7H8O 108.057514 NA MeJP NA NA +MJ000529 Benzyl alcohol C7H8O 108.057514 NA MeJP NA NA +MJ000530 o-Cresol C7H8O 108.057514 NA MeJP NA NA +MetaCyc00374 anisole [methoxybenzene;methyl phenyl ether;phenol methyl ether;] C7H8O1 108.057515 100-66-3 metacyc NA NA +MetaCyc00375 m-cresol [meta-cresol;3-methylphenol;m-toluol;m-oxytoluene;1-hydroxy-3-methylbenzene;3-methyl-1-hydroxybenzene;m-cresylic acid;meta-cresylic acid;m-methylphenol;3-hydroxytoluene;hydroxy-3-methylbenzene;m-kresol;3-cresol;] C7H8O1 108.057515 108-39-4 metacyc NA NA +MetaCyc00376 o-cresol [2-hydroxytoluene;o-methylphenol;] C7H8O1 108.057515 95-48-7 metacyc NA NA +MetaCyc00377 p-cresol [4-hydroxytoluene;p-hydroxytoluene;4-cresol;4-methylphenol;] C7H8O1 108.057515 106-44-5 metacyc NA NA +MetaCyc00378 benzyl alcohol [α-hydroxytoluene;benzenemethanol;phenylmethanol;phenylcarbinol;hydroxymethylbenzene;] C7H8O1 108.057515 100-51-6 metacyc NA NA +HMDB01858 p-Cresol C7H8O 108.057518 NA HMDB2010 NA NA +HMDB02048 m-Cresol C7H8O 108.057518 NA HMDB2010 NA NA +HMDB02055 o-Cresol C7H8O 108.057518 NA HMDB2010 NA NA +HMDB03119 Benzyl alcohol C7H8O 108.057518 NA HMDB2010 NA NA +HMDB04620 N-a-Acetyl-L-arginine C8H16N4O3 108.061119 MH2+ Inhouse_peptide NA peptide +3183 dipeptidyl-aminopeptidase IV inhibitor VV 108.068 MH2+ Inhouse_peptide NA peptide +CJpos0120 Methylhistamine isomers [(M+H)-(NH3)]+ C6H9N2 108.068175 C18rt(min)=0.79 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0120 Methylhistamine isomers [(M+H)-(NH3)]+ C6H9N2 108.068175 C18rt(min)=0.79 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C02304 Phenylhydrazine C6H8N2 108.0687 NA KEGG NA NA +C02454 Phenylenediamine C6H8N2 108.0687 NA KEGG NA NA +C14402 1,2-Diaminobenzene C6H8N2 108.0687 NA KEGG NA NA +C17926 2-Pyridinemethanamine C6H8N2 108.0687 NA KEGG NA NA +MJ000531 2,5-Dimethylpyrazine C6H8N2 108.068748 NA MeJP NA NA +MJ000532 2-Amino-4-methylpyridine C6H8N2 108.068748 NA MeJP NA NA +MJ000533 3-(Aminomethyl)pyridine C6H8N2 108.068748 NA MeJP NA NA +MetaCyc00379 phenylhydrazine [hydrazine, phenyl-;hydrazine-benzene;hydrazobenzene;hydrazinobenzene;monophenylhydrazine;] C6H8N2 108.068748 NA metacyc NA NA +MJ000534 1,3,5-Octatriene C8H12 108.0939 NA MeJP NA NA +MJ000535 1,3,6-Octatriene C8H12 108.0939 NA MeJP NA NA +MJ000536 2,4,6-Octatriene C8H12 108.0939 NA MeJP NA NA +MJ000537 2-Methyl-1,3,5-heptatriene C8H12 108.0939 NA MeJP NA NA +3174 dipeptidyl-aminopeptidase IV inhibitor KA 108.5655 MH2+ Inhouse_peptide NA peptide +7743 ACE inhibitor KA 108.5655 MH2+ Inhouse_peptide NA peptide +HMDB00824 Propionylcarnitine C10H19NO4 108.5657045 MH2+ Inhouse_peptide NA peptide +C00519 Hypotaurine C2H7NO2S 109.0197 NA KEGG NA NA +C00520 Plasminogen C2H7NO2S 109.0197 NA KEGG NA NA +MJ000538 2-Aminoethanesulfinic acid C2H7NO2S 109.019749 NA MeJP NA NA +MJ000539 Hypotaurine C2H7NO2S 109.019749 NA MeJP NA NA +MetaCyc00380 hypotaurine [] C2H7N1O2S1 109.019749 300-84-5 metacyc NA NA +HMDB00965 Hypotaurine C2H7NO2S 109.01975 http://www.hmdb.ca/metabolites/HMDB00965 HMDB NA NA +HMDB00965 Hypotaurine C2H7NO2S 109.01975 HMDB00965 PFEM_hmdb_metabocards_official NA NA +HMDB00965 Hypotaurine C2H7NO2S 109.019753 NA HMDB2010 NA NA +C02389 p-Benzosemiquinone C6H5O2 109.029 NA KEGG NA NA +C05060 o-Benzosemiquinone C6H5O2 109.029 NA KEGG NA NA +C05067 trans-3-Enoyl-CoA C25H39N7O17P3SR 109.029 NA KEGG NA NA +MJ000540 (2-Aminoethyl)phosphinic acid C2H8NO2P 109.029265 NA MeJP NA NA +7623 ACE inhibitor EA 109.0395 MH2+ Inhouse_peptide NA peptide +CJpos0121 4-Aminophenol (and isomers) [(M+H)]+ C6H8NO 109.052175 C18rt(min)=1.04 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0121 4-Aminophenol (and isomers) [(M+H)]+ C6H8NO 109.052175 C18rt(min)=1.04 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB01169 4-Aminophenol C6H7NO 109.05276 http://www.hmdb.ca/metabolites/HMDB01169 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01169 4-Aminophenol C6H7NO 109.05276 http://www.hmdb.ca/metabolites/HMDB01169 HMDB NA NA +HMDB01169 4-Aminophenol C6H7NO 109.05276 http://www.hmdb.ca/metabolites/HMDB01169 PFEM_hmdb_metabocards_blood NA blood +HMDB01169 4-Aminophenol C6H7NO 109.05276 HMDB01169 PFEM_hmdb_metabocards_official NA NA +MJ000541 2-Acetylpyrrole C6H7NO 109.052763 NA MeJP NA NA +MJ000542 2-Aminophenol C6H7NO 109.052763 NA MeJP NA NA +MJ000543 2-Pyridinemethanol C6H7NO 109.052763 NA MeJP NA NA +MJ000544 3-Pyridinol; Me ether C6H7NO 109.052763 NA MeJP NA NA +MJ000545 4-Hydroxy-2-methylpyridine C6H7NO 109.052763 NA MeJP NA NA +MJ000546 2-Aminophenol C6H7NO 109.052763 NA MeJP NA NA +MJ000547 4-Hydroxyaniline C6H7NO 109.052763 NA MeJP NA NA +MJ000548 N-Hydroxyarylamine C6H7NO 109.052763 NA MeJP NA NA +MetaCyc00381 hydroxyaminobenzene [] C6H7N1O1 109.052764 NA metacyc NA NA +MetaCyc00382 hydroxylaminobenzene [β-phenylhydroxylamine;N-hydroxyaniline;phenylhydroxylamine;] C6H7N1O1 109.052764 100-65-2 metacyc NA NA +MetaCyc00383 4-hydroxyaniline [4-aminophenol;p-aminophenol;4-aminobenzenol;p-hydroxyaniline;p-aminobenzenol;] C6H7N1O1 109.052764 123-30-8 metacyc NA NA +MetaCyc00384 2-aminophenol [2-amino-1-hydroxybenzene;] C6H7N1O1 109.052764 NA metacyc NA NA +HMDB01169 4-Aminophenol C6H7NO 109.052765 NA HMDB2010 NA NA +C01987 2-Aminophenol C6H7NO 109.0528 NA KEGG NA NA +C02372 4-Hydroxyaniline C6H7NO 109.0528 NA KEGG NA NA +C02720 Hydroxylaminobenzene C6H7NO 109.0528 NA KEGG NA NA +C05058 m-Aminophenol C6H7NO 109.0528 NA KEGG NA NA +JH048 Histidine [M+H-HCOOH]+ NA 109.0578 1.03 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH048 Histidine [M+H-HCOOH]+ NA 109.0578 1.03 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH048 Histidine [M+H-HCOOH]+ NA 109.0578 1.03 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH048 Histidine [M+H-HCOOH]+ NA 109.0578 1.03 Inhousejuil11 NA NA +MJ000549 1H-Imidazo[1,2-b]pyrazole; 2,3-Dihydro C5H7N3 109.063997 NA MeJP NA NA +MJ000550 1H-Pyrrole-3-carboximidamide C5H7N3 109.063997 NA MeJP NA NA +MJ000551 3,4-Pyridinediamine C5H7N3 109.063997 NA MeJP NA NA +MetaCyc00385 Dap [2,6-Diaminopyridine;2,6-pyridinediamine;pyridine, 2,6-diamino-;pyridine-2,6-diyldiamine;] C5H7N3 109.063997 NA metacyc NA NA +C10133 Brunfelsamidine C5H7N3 109.064 NA KEGG NA NA +C11335 N,N,N-Trimethylmethanaminium chloride C4H12N 109.0658 NA KEGG NA NA +C11520 Cyclohexyl isocyanide C7H11N 109.0891 NA KEGG NA NA +MetaCyc00386 cyclohexyl-isocyanide [] C7H11N1 109.089149 NA metacyc NA NA +HMDB00210 Pantothenic acid C9H17NO5 109.555336 MH2+ Inhouse_peptide NA peptide +MJ000552 Calcium chloride (CaCl2) CaCl2 109.900296 NA MeJP NA NA +C08130 Calcium chloride anhydrous CaCl2 109.9003 NA KEGG NA NA +C08132 Transferred to D00934 CaCl2 109.9003 NA KEGG NA NA +C08133 Transferred to D00935 CaCl2 109.9003 NA KEGG NA NA +C08135 Transferred to D00937 CaCl2 109.9003 NA KEGG NA NA +C02535 Dimethyl selenide C2H6Se 109.9635 NA KEGG NA NA +C02536 Dolichyl palmitate C36H66O2 109.9635 NA KEGG NA NA +C06609 trans-1,3-Dichloropropene C3H4Cl2 109.969 NA KEGG NA NA +C06610 cis-1,3-Dichloropropene C3H4Cl2 109.969 NA KEGG NA NA +MJ000553 cis-1,3-Dichloropropene C3H4Cl2 109.969005 NA MeJP NA NA +MJ000554 trans-1,3-Dichloropropene C3H4Cl2 109.969005 NA MeJP NA NA +C17943 Formylphosphonate CH3O4P 109.9769 NA KEGG NA NA +MJ000555 Lithium sulfate (Li2SO4) Li2O4S 109.983737 NA MeJP NA NA +MJ000556 Dimethyl disulfide; S-Oxide C2H6OS2 109.986006 NA MeJP NA NA +JH078 Aconitic acid (cis-) [M+H-H2O-HCOOH]+ NA 109.9999 7.59 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH078 Aconitic acid (cis-) [M+H-H2O-HCOOH]+ NA 109.9999 7.59 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH078 Aconitic acid (cis-) [M+H-H2O-HCOOH]+ NA 109.9999 7.59 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH078 Aconitic acid (cis-) [M+H-H2O-HCOOH]+ NA 109.9999 7.59 Inhousejuil11 NA NA +JH119 Citric acid [M+H-HCOOH-2OH]+ NA 110 2.57 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH119 Citric acid [M+H-HCOOH-2OH]+ NA 110 2.57 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH119 Citric acid [M+H-HCOOH-2OH]+ NA 110 2.57 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH119 Citric acid [M+H-HCOOH-2OH]+ NA 110 2.57 Inhousejuil11 NA NA +PARAC027 UNKNOWN signif manip paracetamol NA 110.0028 RT2.4 PFEM_hmdb_metabocards_urine NA urine +PARAC027 UNKNOWN signif manip paracetamol NA 110.0028 RT2.4 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC027 UNKNOWN signif manip paracetamol NA 110.0028 RT2.4 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC027 UNKNOWN signif manip paracetamol NA 110.0028 RT2.4 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC027 UNKNOWN signif manip paracetamol NA 110.0028 RT2.4 HMDB NA NA +PARAC027 UNKNOWN signif manip paracetamol NA 110.0028 RT2.4 Inhouse_PFEM NA NA +PARAC027 UNKNOWN signif manip paracetamol NA 110.0028 RT2.4 PFEM_hmdb_metabocards_blood NA blood +PARAC027 UNKNOWN signif manip paracetamol NA 110.0028 RT2.4 PFEM_hmdb_metabocards_official NA NA +MetaCyc00387 methylmethanesulfonate [methylmesylate;methylmethansulphonate;methylmethansulfonat;] C2H6O3S1 110.003765 NA metacyc NA NA +CJpos0122 Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H4O2)]+ C6H7O2 110.036275 C18rt(min)=5.3 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0122 Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H4O2)]+ C6H7O2 110.036275 C18rt(min)=5.3 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ000557 Catechol C6H6O2 110.036779 NA MeJP NA NA +MJ000558 Hydroquinone C6H6O2 110.036779 NA MeJP NA NA +MJ000559 Resorcinol C6H6O2 110.036779 NA MeJP NA NA +MJ000560 1,2-Benzenediol C6H6O2 110.036779 NA MeJP NA NA +MJ000561 1,3-Benzenediol C6H6O2 110.036779 NA MeJP NA NA +MJ000562 1,4-Benzenediol C6H6O2 110.036779 NA MeJP NA NA +MJ000563 2,4-Hexadienedial C6H6O2 110.036779 NA MeJP NA NA +MJ000564 2-Acetylfuran C6H6O2 110.036779 NA MeJP NA NA +MJ000565 2-Methyl-4H-pyran-4-one C6H6O2 110.036779 NA MeJP NA NA +MJ000566 5-Methyl-2-furancarboxaldehyde C6H6O2 110.036779 NA MeJP NA NA +MetaCyc00388 hydroquinone [1,4-benzenediol;hydroquinol;benzene-1,4-diol;] C6H6O2 110.036779 123-31-9 metacyc NA NA +MetaCyc00389 resorcinol [1,3-dihydroxybenzene;] C6H6O2 110.036779 NA metacyc NA NA +MetaCyc00390 catechol [pyrocatechol;2-hydroxyphenol;pyrocatechin;1,2-dihydroxybenzene;1,2-benzenediol;benzenediol;] C6H6O2 110.036779 120-80-9 metacyc NA NA +MetaCyc00391 benzosemiquinone [p-benzosemiquinone;] C6H6O2 110.036779 NA metacyc NA NA +HMDB00957 Pyrocatechol C6H6O2 110.03678 http://www.hmdb.ca/metabolites/HMDB00957 PFEM_hmdb_metabocards_urine NA urine +HMDB00957 Pyrocatechol C6H6O2 110.03678 http://www.hmdb.ca/metabolites/HMDB00957 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00957 Pyrocatechol C6H6O2 110.03678 http://www.hmdb.ca/metabolites/HMDB00957 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00957 Pyrocatechol C6H6O2 110.03678 http://www.hmdb.ca/metabolites/HMDB00957 HMDB NA NA +HMDB02434 Hydroquinone C6H6O2 110.03678 http://www.hmdb.ca/metabolites/HMDB02434 HMDB NA NA +HMDB00957 Pyrocatechol C6H6O2 110.03678 HMDB00957 PFEM_hmdb_metabocards_official NA NA +HMDB02434 Hydroquinone C6H6O2 110.03678 HMDB02434 PFEM_hmdb_metabocards_official NA NA +HMDB00957 Pyrocatechol C6H6O2 110.036781 NA HMDB2010 NA NA +HMDB02434 Hydroquinone C6H6O2 110.036781 NA HMDB2010 NA NA +C00090 Catechol C6H6O2 110.0368 NA KEGG NA NA +C00530 p-Benzenediol C6H6O2 110.0368 NA KEGG NA NA +C01751 Resorcinol C6H6O2 110.0368 NA KEGG NA NA +C01785 Benzenediol C6H6O2 110.0368 NA KEGG NA NA +C11115 5-Methyl-2-furaldehyde C6H6O2 110.0368 NA KEGG NA NA +C15571 Catechol C6H6O2 110.0368 NA KEGG NA NA +CJneg0025 3,5-dihydroxybenzoic acid / 3,4-dihydroxybenzoic acid [(M-H)-(CO2)]- C6H5O2 110.037325 C18rt(min)=4.83 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0026 pyrocatechol sulfate isomer [(M-H)-(SO3)]- C6H5O2S0 110.037325 C18rt(min)=4.88 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0025 3,5-dihydroxybenzoic acid / 3,4-dihydroxybenzoic acid [(M-H)-(CO2)]- C6H5O2 110.037325 C18rt(min)=4.83 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0026 pyrocatechol sulfate isomer [(M-H)-(SO3)]- C6H5O2S0 110.037325 C18rt(min)=4.88 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +3173 dipeptidyl-aminopeptidase IV inhibitor MA 110.0387 MH2+ Inhouse_peptide NA peptide +HMDB00472 5-Hydroxy-L-tryptophan C11H12N2O3 110.0423965 MH2+ Inhouse_peptide NA peptide +CJpos0123 Imidazolelactic acid isomers [(M+H)-(HCOOH)]+ C5H7N2O 110.047475 C18rt(min)=0.95 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0123 Imidazolelactic acid isomers [(M+H)-(HCOOH)]+ C5H7N2O 110.047475 C18rt(min)=0.95 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C02560 N-Acetylimidazole C5H6N2O 110.048 NA KEGG NA NA +C02562 N-Acyl-L-arginine C7H13N4O3R 110.048 NA KEGG NA NA +C05130 Imidazole-4-acetaldehyde C5H6N2O 110.048 NA KEGG NA NA +HMDB03905 Imidazole-4-acetaldehyde C5H6N2O 110.04801 http://www.hmdb.ca/metabolites/HMDB03905 HMDB NA NA +HMDB03905 Imidazole-4-acetaldehyde C5H6N2O 110.04801 HMDB03905 PFEM_hmdb_metabocards_official NA NA +HMDB03905 Imidazole-4-acetaldehyde C5H6N2O 110.048012 NA HMDB2010 NA NA +MJ000567 1H-Pyrrole-2-carboxylic acid; Amide C5H6N2O 110.048012 NA MeJP NA NA +MetaCyc00392 imidazole acetaldehyde [] C5H6N2O1 110.048013 NA metacyc NA NA +MetaCyc00393 N-acetylimidazole [] C5H6N2O1 110.048013 2466-76-4 metacyc NA NA +CJpos0124 4-Aminophenol (and isomers) [(M+H)]+ (13C) C513CH8NO 110.055575 C18rt(min)=1.04 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0124 4-Aminophenol (and isomers) [(M+H)]+ (13C) C513CH8NO 110.055575 C18rt(min)=1.04 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ000568 1H-Pyrazole-1-carboximidamide C4H6N4 110.059246 NA MeJP NA NA +CJpos0125 Suberic acid [(M+H)-(H2O)-(HCOOH)]+ C7H11O 110.072575 C18rt(min)=6.46 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0125 Suberic acid [(M+H)-(H2O)-(HCOOH)]+ C7H11O 110.072575 C18rt(min)=6.46 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ000569 2-Isopropylfuran C7H10O 110.073164 NA MeJP NA NA +MJ000570 2-Methyl-1-cyclopentene-1-carboxaldehyde C7H10O 110.073164 NA MeJP NA NA +MJ000571 2-Propylfuran C7H10O 110.073164 NA MeJP NA NA +MJ000572 3-Methyl-2-cyclohexen-1-one C7H10O 110.073164 NA MeJP NA NA +MJ000573 1,3-Octadiene C8H14 110.10955 NA MeJP NA NA +C11033 AMPA CH6NO3P 111.0085 NA KEGG NA NA +CJpos0126 Glutamine [(M+H)-(H2O)-(NH3)]+ C5H6NO2 111.031475 C18rt(min)=0.87 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0127 Dihydrothymine [(M+H)-(NH3)]+ C5H6NO2 111.031475 C18rt(min)=1.05 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0128 Hydroxynicotinic acid isomers [(M+H)-(CO)]+ C5H6NO2 111.031475 C18rt(min)=1.05 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0126 Glutamine [(M+H)-(H2O)-(NH3)]+ C5H6NO2 111.031475 C18rt(min)=0.87 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0127 Dihydrothymine [(M+H)-(NH3)]+ C5H6NO2 111.031475 C18rt(min)=1.05 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0128 Hydroxynicotinic acid isomers [(M+H)-(CO)]+ C5H6NO2 111.031475 C18rt(min)=1.05 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C01059 2,5-Dihydroxypyridine C5H5NO2 111.032 NA KEGG NA NA +C02932 3,4-Dihydroxypyridine C5H5NO2 111.032 NA KEGG NA NA +C03056 2,6-Dihydroxypyridine C5H5NO2 111.032 NA KEGG NA NA +C03927 3-Hydroxy-4H-pyrid-4-one C5H5NO2 111.032 NA KEGG NA NA +C05942 Pyrrole-2-carboxylate C5H5NO2 111.032 NA KEGG NA NA +HMDB04230 Pyrrole-2-carboxylic acid C5H5NO2 111.032028 NA HMDB2010 NA NA +MJ000574 2,5-Dihydroxypyridine C5H5NO2 111.032028 NA MeJP NA NA +MJ000575 Pyrrole-2-carboxylate C5H5NO2 111.032028 NA MeJP NA NA +MJ000576 1H-Pyrrole-2-carboxylic acid C5H5NO2 111.032028 NA MeJP NA NA +MetaCyc00394 pyrrole-2-carboxylate [] C5H5N1O2 111.032028 634-97-9 metacyc NA NA +MetaCyc00395 3,4-dihydroxypyridin [3,4-dihydroxypyridine;] C5H5N1O2 111.032028 NA metacyc NA NA +MetaCyc00396 N-methylmaleimide [] C5H5N1O2 111.032028 NA metacyc NA NA +MetaCyc00397 2,6-dihydroxypyridine [] C5H5N1O2 111.032028 NA metacyc NA NA +MetaCyc00398 3-hydroxy-4h-pyrid-4-one [] C5H5N1O2 111.032028 NA metacyc NA NA +MetaCyc00399 2,5-dihydroxypyridine [2(1H)-pyridinone, 5-hydroxy-;2,5-dihydroxypyridine;] C5H5N1O2 111.032028 NA metacyc NA NA +HMDB04230 Pyrrole-2-carboxylic acid C5H5NO2 111.03203 http://www.hmdb.ca/metabolites/HMDB04230 HMDB NA NA +HMDB04230 Pyrrole-2-carboxylic acid C5H5NO2 111.03203 HMDB04230 PFEM_hmdb_metabocards_official NA NA +CJneg0027 Pyrroledicarboxylic acid [(M-H)-(CO2)]- C5H4NO2 111.032625 C18rt(min)=5.2 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0027 Pyrroledicarboxylic acid [(M-H)-(CO2)]- C5H4NO2 111.032625 C18rt(min)=5.2 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +HMDB00099 L-Cystathionine C7H14N2O4S 111.0337145 MH2+ Inhouse_peptide NA peptide +CJpos0129 Cytosine [(M+H)]+ C4H6N3O 111.042675 C18rt(min)=0.95 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0129 Cytosine [(M+H)]+ C4H6N3O 111.042675 C18rt(min)=0.95 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +LABER073 Cytosine NA 111.043259 112, 95, 52, 69 PFEM_hmdb_metabocards_urine NA urine +LABER086 Cytosine NA 111.043259 RT 2.13 fragt PFEM_hmdb_metabocards_urine NA urine +LABER073 Cytosine NA 111.043259 112, 95, 52, 69 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER086 Cytosine NA 111.043259 RT 2.13 fragt BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER073 Cytosine NA 111.043259 112, 95, 52, 69 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER086 Cytosine NA 111.043259 RT 2.13 fragt Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER073 Cytosine NA 111.043259 112, 95, 52, 69 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER086 Cytosine NA 111.043259 RT 2.13 fragt banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER073 Cytosine NA 111.043259 112, 95, 52, 69 HMDB NA NA +LABER086 Cytosine NA 111.043259 RT 2.13 fragt HMDB NA NA +HMDB00630 Cytosine C4H5N3O 111.043259 NA HMDB2010 NA NA +LABER073 Cytosine NA 111.043259 112, 95, 52, 69 Inhouse_PFEM NA NA +LABER086 Cytosine NA 111.043259 RT 2.13 fragt Inhouse_PFEM NA NA +LABER073 Cytosine NA 111.043259 112, 95, 52, 69 Inhousejuil11 NA NA +LABER086 Cytosine NA 111.043259 RT 2.13 fragt Inhousejuil11 NA NA +LABER073 Cytosine NA 111.043259 112, 95, 52, 69 PFEM_hmdb_metabocards_blood NA blood +LABER086 Cytosine NA 111.043259 RT 2.13 fragt PFEM_hmdb_metabocards_blood NA blood +LABER073 Cytosine NA 111.043259 112, 95, 52, 69 PFEM_hmdb_metabocards_official NA NA +LABER086 Cytosine NA 111.043259 RT 2.13 fragt PFEM_hmdb_metabocards_official NA NA +HMDB00630 Cytosine C4H5N3O 111.04326 http://www.hmdb.ca/metabolites/HMDB00630 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00630 Cytosine C4H5N3O 111.04326 http://www.hmdb.ca/metabolites/HMDB00630 HMDB NA NA +HMDB00630 Cytosine C4H5N3O 111.04326 http://www.hmdb.ca/metabolites/HMDB00630 PFEM_hmdb_metabocards_blood NA blood +HMDB00630 Cytosine C4H5N3O 111.04326 HMDB00630 PFEM_hmdb_metabocards_official NA NA +MJ000577 1H-Pyrazole-1-carboxylic acid; Amide C4H5N3O 111.043261 NA MeJP NA NA +MJ000578 4-Amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-one C4H5N3O 111.043261 NA MeJP NA NA +MJ000579 Cytosine C4H5N3O 111.043261 NA MeJP NA NA +MetaCyc00400 cytosine [4-amino-2-oxo-1,2-dihydropyrimidine;] C4H5N3O1 111.043262 71-30-7 metacyc NA NA +C00380 Cytosine C4H5N3O 111.0433 NA KEGG NA NA +C00381 Dolichol C20H36O 111.0433 NA KEGG NA NA +C00382 Fucose C20H36O 111.0433 NA KEGG NA NA +7591 ACE inhibitor GF 111.0445 MH2+ Inhouse_peptide NA peptide +7605 ACE inhibitor FG 111.0445 MH2+ Inhouse_peptide NA peptide +C11010 2-Fluoroaniline C6H6FN 111.0484 NA KEGG NA NA +C11013 3-Fluoroaniline C6H6FN 111.0484 NA KEGG NA NA +C11014 4-Fluoroaniline C6H6FN 111.0484 NA KEGG NA NA +MJ000580 1,3,5-Triazinediamine C3H5N5 111.054495 NA MeJP NA NA +MJ000581 2,3-Dihydro-1H-pyrrole; N-Ac C6H9NO 111.068413 NA MeJP NA NA +MJ000582 3-Ethylidene-2-pyrrolidinone C6H9NO 111.068413 NA MeJP NA NA +MJ000583 Polyvidone C6H9NO 111.068413 NA MeJP NA NA +CJpos0130 Histamine [M+H]+ C5H10N3 111.079075 C18rt(min)=0.77 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0130 Histamine [M+H]+ C5H10N3 111.079075 C18rt(min)=0.77 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +EUR209 Histamine F1 C5H9N3 111.079375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR209 Histamine F1 NA 111.079375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR209 Histamine F1 C5H9N3 111.079375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR209 Histamine F1 NA 111.079375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR209 Histamine F1 C5H9N3 111.079375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR209 Histamine F1 NA 111.079375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR209 Histamine F1 C5H9N3 111.079375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR209 Histamine F1 C5H9N3 111.079375 standards wishlist analysés sur QTOF HMDB NA NA +EUR209 Histamine F1 C5H9N3 111.079375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR209 Histamine F1 NA 111.079375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR209 Histamine F1 C5H9N3 111.079375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR209 Histamine F1 C5H9N3 111.079375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR025 Histamine C5H9N3 111.0796 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR025 Histamine C5H9N3 111.0796 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR025 Histamine C5H9N3 111.0796 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR025 Histamine C5H9N3 111.0796 Wishlist Inhousejuil11 NA NA +C00388 1H-Imidazole-4-ethanamine C5H9N3 111.0796 NA KEGG NA NA +HMDB00870 Histamine C5H9N3 111.07964 Medium chain acyl carnitines ;SYN:(-)-Lauroylcarnitine; (R)-Dodecanoylcarnitine; Dodecanoyl-L-carnitine; L-Carnitine dodecanoyl ester; Lauroyl-L(-)-carnitin; Lauroyl-L-carnitine; LauroylcarnitineH2Blood; Urine Inhouse_peptide NA peptide +HMDB00870 Histamine C5H9N3 111.079643 NA HMDB2010 NA NA +MJ000584 1H-Imidazole-4-ethanamine C5H9N3 111.079647 NA MeJP NA NA +MJ000585 3-(2-Aminoethyl)pyrazole C5H9N3 111.079647 NA MeJP NA NA +MJ000586 Histamine C5H9N3 111.079647 NA MeJP NA NA +MetaCyc00401 histamine [peremin;] C5H9N3 111.079647 51-45-6 metacyc NA NA +HMDB00870 Histamine C5H9N3 111.07965 http://www.hmdb.ca/metabolites/HMDB00870 PFEM_hmdb_metabocards_urine NA urine +HMDB00870 Histamine C5H9N3 111.07965 http://www.hmdb.ca/metabolites/HMDB00870 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00870 Histamine C5H9N3 111.07965 http://www.hmdb.ca/metabolites/HMDB00870 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00870 Histamine C5H9N3 111.07965 http://www.hmdb.ca/metabolites/HMDB00870 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00870 Histamine C5H9N3 111.07965 http://www.hmdb.ca/metabolites/HMDB00870 HMDB NA NA +HMDB00870 Histamine C5H9N3 111.07965 http://www.hmdb.ca/metabolites/HMDB00870 PFEM_hmdb_metabocards_blood NA blood +HMDB00870 Histamine C5H9N3 111.07965 HMDB00870 PFEM_hmdb_metabocards_official NA NA +PFEM045F1 Histamine F1 111.0826 NA Inhouse_original NA NA +HMDB00866 N-Acetyl-L-tyrosine C11H13NO4 111.5422285 MH2+ Inhouse_peptide NA peptide +MetaCyc00402 thiosulfate [S2O3;S2O32-;S2O3-2;] O3S2 111.928885 NA metacyc NA NA +HMDB00257 Thiosulfate [S2O3]2- 111.928886 NA HMDB2010 NA NA +C14857 1,1-Dichloroethylene epoxide C2H2Cl2O 111.9483 NA KEGG NA NA +C14858 2,2-Dichloroacetaldehyde C2H2Cl2O 111.9483 NA KEGG NA NA +C14859 Chloroacetyl chloride C2H2Cl2O 111.9483 NA KEGG NA NA +C02704 Monomethyl sulfate CH4O4S 111.983 NA KEGG NA NA +C02705 Mucus glycoprotein C4H6N2O3R2 111.983 NA KEGG NA NA +C02706 Myelin proteolipid C4H6N2O3R2 111.983 NA KEGG NA NA +C02707 Myosin heavy chain C5H8N2O3R2 111.983 NA KEGG NA NA +MetaCyc00403 monomethyl sulfate [Methyl sulfate;] C1H4O4S1 111.983029 75-93-4 metacyc NA NA +C06455 Hydroxymethylphosphonate CH5O4P 111.9925 NA KEGG NA NA +MJ000587 Chlorobenzene C6H5Cl 112.007977 NA MeJP NA NA +MetaCyc00404 chlorobenzene [monochlorobenzene;] C6H5CL1 112.007978 108-90-7 metacyc NA NA +C06990 Chlorobenzene C6H5Cl 112.008 NA KEGG NA NA +C06991 Transferred to D00315 C6H5Cl 112.008 NA KEGG NA NA +C06992 Transferred to D00316 C6H5Cl 112.008 NA KEGG NA NA +C06993 Transferred to D00317 C6H5Cl 112.008 NA KEGG NA NA +C06994 Transferred to D00318 C6H5Cl 112.008 NA KEGG NA NA +C06995 Transferred to D00319 C6H5Cl 112.008 NA KEGG NA NA +C01546 2-Furoate C5H4O3 112.016 NA KEGG NA NA +C01547 ADP-aldose C5H4O3 112.016 NA KEGG NA NA +HMDB00617 2-Furoic acid C5H4O3 112.01604 http://www.hmdb.ca/metabolites/HMDB00617 PFEM_hmdb_metabocards_urine NA urine +HMDB00617 2-Furoic acid C5H4O3 112.01604 http://www.hmdb.ca/metabolites/HMDB00617 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00617 2-Furoic acid C5H4O3 112.01604 http://www.hmdb.ca/metabolites/HMDB00617 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00444 3-Furoic acid C5H4O3 112.01604 http://www.hmdb.ca/metabolites/HMDB00444 HMDB NA NA +HMDB00617 2-Furoic acid C5H4O3 112.01604 http://www.hmdb.ca/metabolites/HMDB00617 HMDB NA NA +HMDB00444 3-Furoic acid C5H4O3 112.01604 HMDB00444 PFEM_hmdb_metabocards_official NA NA +HMDB00617 2-Furoic acid C5H4O3 112.01604 HMDB00617 PFEM_hmdb_metabocards_official NA NA +MJ000588 2,3-Dihydroxy-2,4-cyclopentadien-1-one C5H4O3 112.016043 NA MeJP NA NA +MJ000589 2-Furancarboxylic acid C5H4O3 112.016043 NA MeJP NA NA +MJ000590 3-Furancarboxylic acid C5H4O3 112.016043 NA MeJP NA NA +MJ000591 3-Hydroxy-2H-pyran-2-one C5H4O3 112.016043 NA MeJP NA NA +MJ000592 3-Hydroxy-4H-pyran-4-one C5H4O3 112.016043 NA MeJP NA NA +MetaCyc00405 2-furoate [] C5H4O3 112.016044 88-14-2 metacyc NA NA +HMDB00444 3-Furoic acid C5H4O3 112.016045 NA HMDB2010 NA NA +HMDB00617 2-Furoic acid C5H4O3 112.016045 NA HMDB2010 NA NA +CJneg0028 Citric acid [(M-H)-2(H2O)-(CO2)]- C5H3O3 112.016625 C18rt(min)=1.09 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0028 Citric acid [(M-H)-2(H2O)-(CO2)]- C5H3O3 112.016625 C18rt(min)=1.09 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0033 Ascorbic acid [(M-H)-(H2O)-(HCOOH)]- C5H3O3 112.016725 C18rt(min)=1.04 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0033 Ascorbic acid [(M-H)-(H2O)-(HCOOH)]- C5H3O3 112.016725 C18rt(min)=1.04 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +EUR429 Deoxyuridine F6 F6 112.023175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR429 Deoxyuridine F6 NA 112.023175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR429 Deoxyuridine F6 F6 112.023175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR429 Deoxyuridine F6 NA 112.023175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR429 Deoxyuridine F6 F6 112.023175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR429 Deoxyuridine F6 NA 112.023175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR429 Deoxyuridine F6 F6 112.023175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR429 Deoxyuridine F6 F6 112.023175 standards wishlist analysés sur QTOF HMDB NA NA +EUR429 Deoxyuridine F6 F6 112.023175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR429 Deoxyuridine F6 NA 112.023175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR429 Deoxyuridine F6 F6 112.023175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR429 Deoxyuridine F6 F6 112.023175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0131 Uracil [(M+H)]+ C4H5N2O2 112.026775 C18rt(min)=1.08 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0131 Uracil [(M+H)]+ C4H5N2O2 112.026775 C18rt(min)=1.08 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +LABER064 Uracil HMDB00300_RT1.93_add 112.027275 RT 2.6 fragt 113, 70, 40, 43, 96 PFEM_hmdb_metabocards_urine NA urine +LABER064 Uracil HMDB00300_RT1.93_add 112.027275 RT 2.6 fragt 113, 70, 40, 43, 96 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER064 Uracil HMDB00300_RT1.93_add 112.027275 RT 2.6 fragt 113, 70, 40, 43, 96 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER064 Uracil HMDB00300_RT1.93_add 112.027275 RT 2.6 fragt 113, 70, 40, 43, 96 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER064 Uracil HMDB00300_RT1.93_add 112.027275 RT 2.6 fragt 113, 70, 40, 43, 96 HMDB NA NA +HMDB00300 Uracil C4H4N2O2 112.027275 NA HMDB2010 NA NA +LABER064 Uracil HMDB00300_RT1.93_add 112.027275 RT 2.6 fragt 113, 70, 40, 43, 96 Inhouse_PFEM NA NA +LABER064 Uracil NA 112.027275 113.034475 Inhouse_sept12 NA NA +LABER064 Uracil HMDB00300_RT1.93_add 112.027275 RT 2.6 fragt 113, 70, 40, 43, 96 Inhousejuil11 NA NA +LABER064 Uracil HMDB00300_RT1.93_add 112.027275 RT 2.6 fragt 113, 70, 40, 43, 96 PFEM_hmdb_metabocards_blood NA blood +LABER064 Uracil HMDB00300_RT1.93_add 112.027275 RT 2.6 fragt 113, 70, 40, 43, 96 PFEM_hmdb_metabocards_official NA NA +MJ000593 2-Butynedioic acid; Diamide C4H4N2O2 112.027277 NA MeJP NA NA +MJ000594 3(5)-Pyrazolecarboxylic acid C4H4N2O2 112.027277 NA MeJP NA NA +MJ000595 Pyrazinol; NH-form, 4-Oxide C4H4N2O2 112.027277 NA MeJP NA NA +MJ000596 Uracil C4H4N2O2 112.027277 NA MeJP NA NA +MetaCyc00406 uracil [] C4H4N2O2 112.027277 66-22-8 metacyc NA NA +HMDB00300 Uracil C4H4N2O2 112.02728 http://www.hmdb.ca/metabolites/HMDB00300 PFEM_hmdb_metabocards_urine NA urine +HMDB00300 Uracil C4H4N2O2 112.02728 http://www.hmdb.ca/metabolites/HMDB00300 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00300 Uracil C4H4N2O2 112.02728 http://www.hmdb.ca/metabolites/HMDB00300 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00300 Uracil C4H4N2O2 112.02728 http://www.hmdb.ca/metabolites/HMDB00300 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00300 Uracil C4H4N2O2 112.02728 http://www.hmdb.ca/metabolites/HMDB00300 HMDB NA NA +HMDB00300 Uracil C4H4N2O2 112.02728 http://www.hmdb.ca/metabolites/HMDB00300 PFEM_hmdb_metabocards_blood NA blood +HMDB00300 Uracil C4H4N2O2 112.02728 HMDB00300 PFEM_hmdb_metabocards_official NA NA +EUR602 Uracil [M+H]+ 112.0273 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR602 Uracil [M+H]+ 112.0273 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR602 Uracil [M+H]+ 112.0273 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR602 Uracil [M+H]+ 112.0273 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00106 Uracil C4H4N2O2 112.0273 NA KEGG NA NA +C00107 Dipeptide C4H6N2O3R2 112.0273 NA KEGG NA NA +CJneg0029 Uracil [(M-H)]- C4H3N2O2 112.027825 C18rt(min)=1.08 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0029 Uracil [(M-H)]- C4H3N2O2 112.027825 C18rt(min)=1.08 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C16485 4-Fluorophenol C6H5FO 112.0324 NA KEGG NA NA +C16486 Astaxanthin diester C42H50O6R2 112.0324 NA KEGG NA NA +MJ000597 2,4-Dimethylthiophene C6H8S 112.03467 NA MeJP NA NA +MetaCyc00407 hydroxypyridine N-oxide [3-pyridinol-1-oxide;3-hydroxypyridine-N-oxide;3-hydroxypyridine 1-oxide;3-pyridinol N-oxide;] C5H6N1O2 112.039853 NA metacyc NA NA +HMDB00732 Hydroxykynurenine C10H12N2O4 112.039856 MH2+ Inhouse_peptide NA peptide +CJpos0132 (2-methoxyethoxy)propanoic acid [(M+H)-2(H2O)]+ C6H9O2 112.051875 C18rt(min)=4.95 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0133 (2-methoxyethoxy)propanoic acid [(M+H)-2(H2O)]+ C6H9O2 112.051875 C18rt(min)=4.75 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0132 (2-methoxyethoxy)propanoic acid [(M+H)-2(H2O)]+ C6H9O2 112.051875 C18rt(min)=4.95 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0133 (2-methoxyethoxy)propanoic acid [(M+H)-2(H2O)]+ C6H9O2 112.051875 C18rt(min)=4.75 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C01066 Cyclohexane-1,3-dione C6H8O2 112.0524 NA KEGG NA NA +C04091 cis-1,2-Dihydrobenzene-1,2-diol C6H8O2 112.0524 NA KEGG NA NA +C04221 trans-1,2-Dihydrobenzene-1,2-diol C6H8O2 112.0524 NA KEGG NA NA +C06105 Cyclohexane-1,2-dione C6H8O2 112.0524 NA KEGG NA NA +C08063 1,4-Cyclohexanedione C6H8O2 112.0524 NA KEGG NA NA +C08502 Parasorbic acid C6H8O2 112.0524 NA KEGG NA NA +HMDB01164 trans-1,2-Dihydrobenzene-1,2-diol C6H8O2 112.052429 NA HMDB2010 NA NA +MJ000598 Cyclohexan-1,2-dione C6H8O2 112.052429 NA MeJP NA NA +MJ000599 cis-1,2-Dihydrobenzene-1,2-diol C6H8O2 112.052429 NA MeJP NA NA +MJ000600 2,4-Hexadienoic acid C6H8O2 112.052429 NA MeJP NA NA +MJ000601 2-Cyclopentene-1-carboxylic acid C6H8O2 112.052429 NA MeJP NA NA +MJ000602 2-Hydroxy-5-methyl-2-cyclopenten-1-one C6H8O2 112.052429 NA MeJP NA NA +MJ000603 2-Methyl-4H-pyran-4-one; 5,6-Dihydro C6H8O2 112.052429 NA MeJP NA NA +MJ000604 3,5-Dimethyl-2(5H)-furanone C6H8O2 112.052429 NA MeJP NA NA +MJ000605 3-Methyl-1,2-cyclopentanedione C6H8O2 112.052429 NA MeJP NA NA +MJ000606 3-Methyl-4-oxo-2-pentenal C6H8O2 112.052429 NA MeJP NA NA +MJ000607 4-Oxo-2-hexen-1-al C6H8O2 112.052429 NA MeJP NA NA +MJ000608 5,5-Dimethyl-2(5H)-furanone C6H8O2 112.052429 NA MeJP NA NA +MJ000609 5,6-Dihydro-6-methyl-2H-pyran-2-one C6H8O2 112.052429 NA MeJP NA NA +MJ000610 5-Hydroxy-3-methyl-2-pentenoic acid, Lactone C6H8O2 112.052429 NA MeJP NA NA +MJ000611 6-Hydroxy-2,4-hexadienal C6H8O2 112.052429 NA MeJP NA NA +HMDB01164 trans-1,2-Dihydrobenzene-1,2-diol C6H8O2 112.05243 http://www.hmdb.ca/metabolites/HMDB01164 HMDB NA NA +MetaCyc00408 cyclohexane-1,3-dione [] C6H8O2 112.05243 504-02-9 metacyc NA NA +MetaCyc00409 sorbate [sorbic acid;2-propenylacrylic acid;1,3-pentadiene-1-carboxylic acid;2,4-hexadienoic acid;(2-butenylidene)acetic acid;crotylidene acetic acid;(E,E)-2,4-hexadienoic acid;hexa-2,4-dienoic acid;panosorb;hexadienoic acid;sorbistat;trans,trans-2,4-hexadienoic acid;trans,trans-sorbic acid;preservastat;α-trans-γ-trans-Sorbic acid;] C6H8O2 112.05243 110-44-1 metacyc NA NA +MetaCyc00410 trans-1,2-Dihydrobenzene-1,2-diol [] C6H8O2 112.05243 NA metacyc NA NA +MetaCyc00411 cis-1,2-Dihydrobenzene-1,2-diol [cis-Benzeneglycol;cis-Cyclohexa-3,5-diene-1,2-diol;] C6H8O2 112.05243 NA metacyc NA NA +HMDB01164 trans-1,2-Dihydrobenzene-1,2-diol C6H8O2 112.05243 HMDB01164 PFEM_hmdb_metabocards_official NA NA +CJneg0030 (2-methoxyethoxy)propanoic acid [(M-H)-2(H2O)]- C6H7O2 112.053025 C18rt(min)=4.75 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0030 (2-methoxyethoxy)propanoic acid [(M-H)-2(H2O)]- C6H7O2 112.053025 C18rt(min)=4.75 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0134 Gly-pro (glycylproline) [(M+H)-(C2H4O2)]+ C5H9N2O 112.063075 C18rt(min)=1.02 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0134 Gly-pro (glycylproline) [(M+H)-(C2H4O2)]+ C5H9N2O 112.063075 C18rt(min)=1.02 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +JH085 Citrulline (L-) [M+H-HCOOH-NH3]+ NA 112.0631 1.22 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH085 Citrulline (L-) [M+H-HCOOH-NH3]+ NA 112.0631 1.22 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH085 Citrulline (L-) [M+H-HCOOH-NH3]+ NA 112.0631 1.22 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH085 Citrulline (L-) [M+H-HCOOH-NH3]+ NA 112.0631 1.22 Inhousejuil11 NA NA +MJ000612 1H-Imidazole-4(5)-ethanol C5H8N2O 112.063662 NA MeJP NA NA +MJ000613 1-Methyl-2-cyclohexen-1-ol C7H12O 112.088815 NA MeJP NA NA +MJ000614 2,5-Heptadien-1-ol C7H12O 112.088815 NA MeJP NA NA +MJ000615 2-Heptenal C7H12O 112.088815 NA MeJP NA NA +MJ000616 2-Methyl-2-cyclohexen-1-ol C7H12O 112.088815 NA MeJP NA NA +MJ000617 3-Heptenal C7H12O 112.088815 NA MeJP NA NA +MJ000618 3-Methyl-2-cyclohexen-1-ol C7H12O 112.088815 NA MeJP NA NA +MJ000619 3-Methyl-3-cyclohexen-1-ol C7H12O 112.088815 NA MeJP NA NA +MJ000620 3-Methylcyclohexanone C7H12O 112.088815 NA MeJP NA NA +MJ000621 4-Hepten-2-one C7H12O 112.088815 NA MeJP NA NA +MJ000622 4-Heptenal C7H12O 112.088815 NA MeJP NA NA +MJ000623 4-Methyl-4-hexen-3-one C7H12O 112.088815 NA MeJP NA NA +MJ000624 4-Methylcyclohexanone C7H12O 112.088815 NA MeJP NA NA +MJ000625 5-Methyl-3-hexen-2-one C7H12O 112.088815 NA MeJP NA NA +MJ000626 cyclo[2.2.1]heptan-2-ol C7H12O 112.088815 NA MeJP NA NA +CJneg0031 Suberic acid [(M-H)-(H2O)-(CO2)]- C7H11O 112.089325 C18rt(min)=6.46 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0031 Suberic acid [(M-H)-(H2O)-(CO2)]- C7H11O 112.089325 C18rt(min)=6.46 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ000627 1-Ethyl-2-methylcyclopentane C8H16 112.1252 NA MeJP NA NA +HMDB06407 Selenophosphate H2PSe 112.90593 http://www.hmdb.ca/metabolites/HMDB06407 HMDB NA NA +HMDB06407 Selenophosphate H2PSe 112.90593 HMDB06407 PFEM_hmdb_metabocards_official NA NA +JH023 Creatine [M+H-H20]+ NA 112.9266 1.23 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH023 Creatine [M+H-H20]+ NA 112.9266 1.23 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH023 Creatine [M+H-H20]+ NA 112.9266 1.23 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH023 Creatine [M+H-H20]+ NA 112.9266 1.23 Inhousejuil11 NA NA +C00320 Thiosulfate HS2O3 112.9367 NA KEGG NA NA +C00321 Trypsinogen HS2O3 112.9367 NA KEGG NA NA +HMDB00257 Thiosulfate HO3S2 112.93671 http://www.hmdb.ca/metabolites/HMDB00257 PFEM_hmdb_metabocards_urine NA urine +HMDB00257 Thiosulfate HO3S2 112.93671 http://www.hmdb.ca/metabolites/HMDB00257 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00257 Thiosulfate HO3S2 112.93671 http://www.hmdb.ca/metabolites/HMDB00257 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00257 Thiosulfate HO3S2 112.93671 http://www.hmdb.ca/metabolites/HMDB00257 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00257 Thiosulfate HO3S2 112.93671 http://www.hmdb.ca/metabolites/HMDB00257 HMDB NA NA +HMDB00257 Thiosulfate HO3S2 112.93671 http://www.hmdb.ca/metabolites/HMDB00257 PFEM_hmdb_metabocards_blood NA blood +HMDB00257 Thiosulfate HO3S2 112.93671 HMDB00257 PFEM_hmdb_metabocards_official NA NA +EUR359 Flavine adenine dinucleotide F9 F9 112.955275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR359 Flavine adenine dinucleotide F9 NA 112.955275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR359 Flavine adenine dinucleotide F9 F9 112.955275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR359 Flavine adenine dinucleotide F9 NA 112.955275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR359 Flavine adenine dinucleotide F9 F9 112.955275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR359 Flavine adenine dinucleotide F9 NA 112.955275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR359 Flavine adenine dinucleotide F9 F9 112.955275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR359 Flavine adénine dinucléotide F9 F9 112.955275 standards wishlist analysés sur QTOF HMDB NA NA +EUR359 Flavine adenine dinucleotide F9 F9 112.955275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR359 Flavine adenine dinucleotide F9 NA 112.955275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR359 Flavine adenine dinucleotide F9 F9 112.955275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR359 Flavine adenine dinucleotide F9 F9 112.955275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR449 Flavine Mononucleotide F7 F7 112.956175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR449 Flavine Mononucleotide F7 NA 112.956175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR449 Flavine Mononucleotide F7 F7 112.956175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR449 Flavine Mononucleotide F7 NA 112.956175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR449 Flavine Mononucleotide F7 F7 112.956175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR449 Flavine Mononucleotide F7 NA 112.956175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR449 Flavine Mononucleotide F7 F7 112.956175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR449 Flavine Mononucléotide F7 F7 112.956175 standards wishlist analysés sur QTOF HMDB NA NA +EUR449 Flavine Mononucleotide F7 F7 112.956175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR449 Flavine Mononucleotide F7 NA 112.956175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR449 Flavine Mononucleotide F7 F7 112.956175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR449 Flavine Mononucleotide F7 F7 112.956175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +JH042 Glutamic acid [M+H-H2O-NH3]+ NA 112.9563 1.23 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH042 Glutamic acid [M+H-H2O-NH3]+ NA 112.9563 1.23 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH042 Glutamic acid [M+H-H2O-NH3]+ NA 112.9563 1.23 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH042 Glutamic acid [M+H-H2O-NH3]+ NA 112.9563 1.23 Inhousejuil11 NA NA +JH019 Pyroglutamic acid (DL) [M+H-OH]+ NA 112.9579 2.45 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH019 Pyroglutamic acid (DL) [M+H-OH]+ NA 112.9579 2.45 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH019 Pyroglutamic acid (DL) [M+H-OH]+ NA 112.9579 2.45 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH019 Pyroglutamic acid (DL) [M+H-OH]+ NA 112.9579 2.45 Inhousejuil11 NA NA +C03629 O-Phosphorylhydroxylamine PNH4O4 112.9878 NA KEGG NA NA +MJ000628 4-Isoxazolecarboxylic acid C4H3NO3 113.011292 NA MeJP NA NA +C14414 Nitrofuran C4H3NO3 113.0113 NA KEGG NA NA +CJneg0032 Citric acid [(M-H)-2(H2O)-(CO2)]- (13C) C4[13]CH3O3 113.019925 C18rt(min)=1.09 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0032 Citric acid [(M-H)-2(H2O)-(CO2)]- (13C) C4[13]CH3O3 113.019925 C18rt(min)=1.09 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C14531 Azomycin C3H3N3O2 113.0225 NA KEGG NA NA +MJ000629 1,2,4-Triazine-3,5-diol C3H3N3O2 113.022526 NA MeJP NA NA +MJ000630 2-Nitroimidazole C3H3N3O2 113.022526 NA MeJP NA NA +MetaCyc00412 cis-2-hydroxypenta-2,4-dienoate [2-hydroxypenta-2,4-dienoate;2-hydroxy-2,4-pentadienoate;] C5H5O3 113.023869 NA metacyc NA NA +HMDB01904 3-Nitrotyrosine C9H10N2O5 113.0294875 MH2+ Inhouse_peptide NA peptide +MJ000631 4-Isothiocyanato-1-butene C5H7NS 113.029919 NA MeJP NA NA +MJ000632 Thiiranepropanoic acid; Nitrile C5H7NS 113.029919 NA MeJP NA NA +CJpos0135 N-Acetylaspartic acid [(M+H)-(H2O)-(CO2)]+ C5H8NO2 113.047175 C18rt(min)=1.04 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0135 N-Acetylaspartic acid [(M+H)-(H2O)-(CO2)]+ C5H8NO2 113.047175 C18rt(min)=1.04 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +3184 dipeptidyl-aminopeptidase IV inhibitor HA 113.0475 MH2+ Inhouse_peptide NA peptide +7835 ACE inhibitor AH 113.0475 MH2+ Inhouse_peptide NA peptide +7886 peptide derived from egg white albumin AH 113.0475 MH2+ Inhouse_peptide NA peptide +HMDB01301 1-Pyrroline-5-carboxylic acid C5H7NO2 113.047676 NA HMDB2010 NA NA +HMDB06875 1-Pyrroline-2-carboxylic acid C5H7NO2 113.047676 NA HMDB2010 NA NA +HMDB00245 Porphobilinogen C10H14N2O4 113.047676 MH2+ Inhouse_peptide NA peptide +MJ000633 2,4-Dihydroxy-3-methylenebutanoic acid, Nitrile C5H7NO2 113.047678 NA MeJP NA NA +MJ000634 2,4-Pyrrolidinedione; Enol-form, Me ether C5H7NO2 113.047678 NA MeJP NA NA +MJ000635 2-Amino-4-pentynoic acid C5H7NO2 113.047678 NA MeJP NA NA +MJ000636 2-Azabicyclo[2.1.0]pentane-3-carboxylic acid C5H7NO2 113.047678 NA MeJP NA NA +MJ000637 3,4-Dihydro-2H-pyrrole-2-carboxylic acid C5H7NO2 113.047678 NA MeJP NA NA +MJ000638 4-Hydroxy-3-hydroxymethyl-2-butenoic acid; Nitrile C5H7NO2 113.047678 NA MeJP NA NA +MJ000639 7-Oxa-3-azabicyclo[4.1.0]heptan-2-one C5H7NO2 113.047678 NA MeJP NA NA +MJ000640 Jatropham C5H7NO2 113.047678 NA MeJP NA NA +MJ000641 (S)-1-Pyrroline-5-carboxylate C5H7NO2 113.047678 NA MeJP NA NA +MJ000642 1-Pyrroline-2-carboxylate C5H7NO2 113.047678 NA MeJP NA NA +MetaCyc00413 pyrroline 5-carboxylate [L-Δ1-pyrroline-5-carboxylate;(S)-1-pyrroline-5-carboxylate;1-pyrroline-5-carboxylate;L-1-pyrroline-5-carboxylate;δ-1-pyrroline-5-carboxylic acid;δ-1-pyrroline-5-carboxylate;] C5H7N1O2 113.047678 2906-39-0 metacyc NA NA +MetaCyc00414 δ-(1)-pyrroline 2-carboxylate [1-pyrroline 2-carboxylate;] C5H7N1O2 113.047678 NA metacyc NA NA +MetaCyc00415 3,4-dihydro-2H-pyrrole-2-carboxylate [] C5H7N1O2 113.047678 NA metacyc NA NA +MetaCyc00416 1-pyrroline-2-carboxylate [1-pyrroline-2-carboxylic acid;] C5H7N1O2 113.047678 NA metacyc NA NA +HMDB01301 L-d-1-Pyrroline-5-carboxylic acid C5H7NO2 113.04768 http://www.hmdb.ca/metabolites/HMDB01301 HMDB NA NA +HMDB06875 1-Pyrroline-2-carboxylate C5H7NO2 113.04768 http://www.hmdb.ca/metabolites/HMDB06875 HMDB NA NA +HMDB01301 L-d-1-Pyrroline-5-carboxylic acid C5H7NO2 113.04768 HMDB01301 PFEM_hmdb_metabocards_official NA NA +HMDB06875 1-Pyrroline-2-carboxylate C5H7NO2 113.04768 HMDB06875 PFEM_hmdb_metabocards_official NA NA +C03564 1-Pyrroline-2-carboxylate C5H7NO2 113.0477 NA KEGG NA NA +C03565 2''-Nucleotidylgentamicin C5H7NO2 113.0477 NA KEGG NA NA +C03566 2''-Nucleotidyltobramycin C22H43N5O15PR 113.0477 NA KEGG NA NA +C03912 (S)-1-Pyrroline-5-carboxylate C5H7NO2 113.0477 NA KEGG NA NA +C04322 3,4-Dihydro-2H-Pyrrole-2-carboxylate C5H7NO2 113.0477 NA KEGG NA NA +C07275 Glutarimide C5H7NO2 113.0477 NA KEGG NA NA +CJneg0034 N-Acetylaspartic acid [(M-H)-(H2O)-(CO2)]- C5H6NO2 113.048225 C18rt(min)=1.04 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0034 N-Acetylaspartic acid [(M-H)-(H2O)-(CO2)]- C5H6NO2 113.048225 C18rt(min)=1.04 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +EUR217 Hydroxyproline F2 F2 113.048975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR217 Hydroxyproline F2 NA 113.048975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR217 Hydroxyproline F2 F2 113.048975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR217 Hydroxyproline F2 NA 113.048975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR217 Hydroxyproline F2 F2 113.048975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR217 Hydroxyproline F2 NA 113.048975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR217 Hydroxyproline F2 F2 113.048975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR217 Hydroxyproline F2 F2 113.048975 standards wishlist analysés sur QTOF HMDB NA NA +EUR217 Hydroxyproline F2 F2 113.048975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR217 Hydroxyproline F2 NA 113.048975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR217 Hydroxyproline F2 F2 113.048975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR217 Hydroxyproline F2 F2 113.048975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB00033 Carnosine C9H14N4O3 113.0532915 MH2+ Inhouse_peptide NA peptide +PFEM030F1 Creatinine F1 113.0555 NA Inhouse_original NA NA +CJpos0136 Creatinine (and isomer) [(M+H)]+ C4H8N3O 113.058375 C18rt(min)=0.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0136 Creatinine (and isomer) [(M+H)]+ C4H8N3O 113.058375 C18rt(min)=0.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +EUR246 Creatinine C4H7N3O 113.058475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR246 Creatinine F1 NA 113.058475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR246 Creatinine C4H7N3O 113.058475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR246 Creatinine F1 NA 113.058475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR246 Creatinine C4H7N3O 113.058475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR246 Creatinine F1 NA 113.058475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR246 Creatinine C4H7N3O 113.058475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR246 Creatinine C4H7N3O 113.058475 standards wishlist analysés sur QTOF HMDB NA NA +EUR246 Creatinine C4H7N3O 113.058475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR246 Creatinine C4H7N3O 113.058475 114.065675 Inhouse_sept12 NA NA +EUR246 Creatinine F1 NA 113.058475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR246 Creatinine C4H7N3O 113.058475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR246 Creatinine C4H7N3O 113.058475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR047 Creatinine C4H7N3O 113.0589 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR603 Creatinine [M+H]+ 113.0589 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR047 Creatinine C4H7N3O 113.0589 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR603 Creatinine [M+H]+ 113.0589 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR047 Creatinine C4H7N3O 113.0589 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR603 Creatinine [M+H]+ 113.0589 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR047 Creatinine C4H7N3O 113.0589 Wishlist Inhousejuil11 NA NA +EUR603 Creatinine [M+H]+ 113.0589 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00791 Creatinine C4H7N3O 113.0589 NA KEGG NA NA +HMDB00562 Creatinine C4H7N3O 113.05891 http://www.hmdb.ca/metabolites/HMDB00562 PFEM_hmdb_metabocards_urine NA urine +HMDB00562 Creatinine C4H7N3O 113.05891 http://www.hmdb.ca/metabolites/HMDB00562 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00562 Creatinine C4H7N3O 113.05891 http://www.hmdb.ca/metabolites/HMDB00562 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00562 Creatinine C4H7N3O 113.05891 http://www.hmdb.ca/metabolites/HMDB00562 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00562 Creatinine C4H7N3O 113.05891 http://www.hmdb.ca/metabolites/HMDB00562 HMDB NA NA +HMDB00562 Creatinine C4H7N3O 113.05891 http://www.hmdb.ca/metabolites/HMDB00562 PFEM_hmdb_metabocards_blood NA blood +HMDB00562 Creatinine C4H7N3O 113.05891 HMDB00562 PFEM_hmdb_metabocards_official NA NA +MJ000643 Creatinine C4H7N3O 113.058911 NA MeJP NA NA +EUR047 Creatinine C4H7N3O 113.058912 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR047 Creatinine C4H7N3O 113.058912 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR047 Creatinine C4H7N3O 113.058912 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR047 Creatinine C4H7N3O 113.058912 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR047 Creatinine C4H7N3O 113.058912 Wishlist HMDB NA NA +EUR047 Creatinine C4H7N3O 113.058912 Wishlist Inhouse_PFEM NA NA +MetaCyc00417 creatinine [krebiozen;creatinine;2-imino-1-methyl-4-imidazolidinone;1-methyl-2-amino-imidazol-4-one;] C4H7N3O1 113.058912 60-27-5 metacyc NA NA +EUR047 Creatinine C4H7N3O 113.058912 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR047 Creatinine C4H7N3O 113.058912 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00562 Creatinine C4H7N3O 113.058914 NA HMDB2010 NA NA +JH001 Creatinine [M] C4H7N3O 113.0591 1.02 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH001 Creatinine [M] C4H7N3O 113.0591 1.02 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH001 Creatinine [M] C4H7N3O 113.0591 1.02 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH001 Creatinine [M] C4H7N3O 113.0591 1.02 Inhousejuil11 NA NA +EUR553 creatinine [M+H]+ 113.059175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR553 creatinine [M+H]+ 113.059175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR553 creatinine [M+H]+ 113.059175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR553 creatinine [M+H]+ 113.059175 identifies dans serum NuGO Inhousejuil11 NA NA +CJpos0137 Isovalerylglycine [(M+H)-(HCOOH)]+ C6H12NO 113.083475 C18rt(min)=5.2 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0138 6-Aminocaproic acid [(M+H)-(H2O)]+ C6H12NO 113.083475 C18rt(min)=1.04 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0139 Leucine (and isomers) [(M+H)-(H2O)]+ C6H12NO 113.083475 C18rt(min)=1.08 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0140 N-Acetylputrescine (and isomer) [(M+H)-(NH3)]+ C6H12NO 113.083475 C18rt(min)=1 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0137 Isovalerylglycine [(M+H)-(HCOOH)]+ C6H12NO 113.083475 C18rt(min)=5.2 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0138 6-Aminocaproic acid [(M+H)-(H2O)]+ C6H12NO 113.083475 C18rt(min)=1.04 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0139 Leucine (and isomers) [(M+H)-(H2O)]+ C6H12NO 113.083475 C18rt(min)=1.08 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0140 N-Acetylputrescine (and isomer) [(M+H)-(NH3)]+ C6H12NO 113.083475 C18rt(min)=1 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +MJ000644 1-(1-Aziridinyl)-3-buten-2-ol C6H11NO 113.084063 NA MeJP NA NA +MJ000645 1-Piperidinecarboxaldehyde C6H11NO 113.084063 NA MeJP NA NA +MJ000646 3-Ethyl-2-pyrrolidinone C6H11NO 113.084063 NA MeJP NA NA +MJ000647 3-Methyl-3-pentenoic acid, Amide C6H11NO 113.084063 NA MeJP NA NA +MJ000648 epsilon-Caprolactam C6H11NO 113.084064 NA MeJP NA NA +MetaCyc00418 ε-caprolactam [ε-caprolactam;hexahydro-2H-Azepin-2-one;hexahydro-2-azepinone;aminocaproic lactam;6-aminocaproic acid lactam;6-aminohexanoic acid cyclic lactam;2-azacycloheptanone;6-caprolactam;γ-caprolactam;6-hexanelactam;hexanolactam;hexanoic acid-6-amino-lactam;2-perhydroazepinone;cyclohexanone iso-oxime;2-oxohexamethylenimine;hexannic acid;perhydroazepin-2-one;E-caprolactam;] C6H11N1O1 113.084064 105-60-2 metacyc NA NA +C06593 epsilon-Caprolactam C6H11NO 113.0841 NA KEGG NA NA +MJ000649 2,6-Dimethylpiperidine C7H15N 113.120449 NA MeJP NA NA +HMDB03638 Cadmium [Cd]2+ 113.903358 NA HMDB2010 NA NA +HMDB03638 Cadmium Cd 113.90336 http://www.hmdb.ca/metabolites/HMDB03638 PFEM_hmdb_metabocards_urine NA urine +HMDB03638 Cadmium Cd 113.90336 http://www.hmdb.ca/metabolites/HMDB03638 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03638 Cadmium Cd 113.90336 http://www.hmdb.ca/metabolites/HMDB03638 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB03638 Cadmium Cd 113.90336 http://www.hmdb.ca/metabolites/HMDB03638 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB03638 Cadmium Cd 113.90336 http://www.hmdb.ca/metabolites/HMDB03638 HMDB NA NA +HMDB03638 Cadmium Cd 113.90336 http://www.hmdb.ca/metabolites/HMDB03638 PFEM_hmdb_metabocards_blood NA blood +HMDB03638 Cadmium Cd 113.90336 HMDB03638 PFEM_hmdb_metabocards_official NA NA +C01413 Cadmium Cd 113.9034 NA KEGG NA NA +C05529 H2S2O3 H2S2O3 113.9445 NA KEGG NA NA +MetaCyc00419 thiophosphate [phosphorothiolate;phosphorothionate;] H3O3P1S1 113.954051 NA metacyc NA NA +MJ000650 2,2-Dichloroethanol C2H4Cl2O 113.96392 NA MeJP NA NA +C03248 Acetylenedicarboxylate C4H2O4 113.9953 NA KEGG NA NA +MJ000651 Acetylenedicarboxylate C4H2O4 113.995308 NA MeJP NA NA +MetaCyc00420 acetylenedicarboxylate [acetylenedicarboxylic acid;2-butynedioic acid;] C4H2O4 113.995309 NA metacyc NA NA +MetaCyc00421 parabanate [parabanic acid;2,4,5-trioxoimidazolidine;] C3H2N2O3 114.006542 120-89-8 metacyc NA NA +MJ000652 5-Fluoro-4-hydroxypyrimidine C4H3FN2O 114.02294 NA MeJP NA NA +MJ000653 1,3-Dihydro-1-methyl-2H-imidazole-2-thione C4H6N2S 114.025168 NA MeJP NA NA +MJ000654 2-Amino-4-methylthiazole C4H6N2S 114.025168 NA MeJP NA NA +MJ000655 3-Hydroxymethyl-2(5H)-furanone C5H6O3 114.031694 NA MeJP NA NA +MJ000656 3-Methoxy-2(5H)-furanone C5H6O3 114.031694 NA MeJP NA NA +MJ000657 4-Hydroxy-5-methyl-2(5H)-furanone C5H6O3 114.031694 NA MeJP NA NA +MJ000658 4-Hydroxy-5-methyl-3(2H)-furanone C5H6O3 114.031694 NA MeJP NA NA +MJ000659 Dihydro-2H-pyran-2,5(6H)-dione C5H6O3 114.031694 NA MeJP NA NA +MJ000660 Dihydro-4-hydroxy-3-methylene-2(3H)-furanone C5H6O3 114.031694 NA MeJP NA NA +MJ000661 2-Hydroxy-2,4-pentadienoate C5H6O3 114.031694 NA MeJP NA NA +MJ000662 cis-Acetylacrylate C5H6O3 114.031694 NA MeJP NA NA +MetaCyc00422 L-erythro-ascorbate [erythro-ascorbate;] C5H6O3 114.031694 NA metacyc NA NA +MetaCyc00423 2-hydroxy-4-pentenoate [] C5H6O3 114.031694 NA metacyc NA NA +MetaCyc00424 2-oxopent-4-enoate [2-oxopent-4-enoate;2-keto-4-pentenoate;oxopent-4-enoate;2-keto-4-pentenoic acid;2-ketopent-4-enoic acid;] C5H6O3 114.031694 159694-16-3 metacyc NA NA +C00596 2-Hydroxy-2,4-pentadienoate C5H6O3 114.0317 NA KEGG NA NA +C07091 cis-Acetylacrylate C5H6O3 114.0317 NA KEGG NA NA +JH029 Glutaric acid [M+H-H20]+ NA 114.033 4.25 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH029 Glutaric acid [M+H-H20]+ NA 114.033 4.25 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH029 Glutaric acid [M+H-H20]+ NA 114.033 4.25 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH029 Glutaric acid [M+H-H20]+ NA 114.033 4.25 Inhousejuil11 NA NA +CJpos0141 3-ureidopropionic acid Asparagine [(M+H)-(H2O)]+ C4H7N2O2 114.042375 C18rt(min)=1.05 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0142 5,6-Dihydrouracil [(M+H)]+ C4H7N2O2 114.042375 C18rt(min)=1.1 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0141 3-ureidopropionic acid § Asparagine [(M+H)-(H2O)]+ C4H7N2O2 114.042375 C18rt(min)=1.05 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0142 5,6-Dihydrouracil [(M+H)]+ C4H7N2O2 114.042375 C18rt(min)=1.1 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C00429 5,6-Dihydrouracil C4H6N2O2 114.0429 NA KEGG NA NA +C02512 3-Cyano-L-alanine C4H6N2O2 114.0429 NA KEGG NA NA +C02565 N-Methylhydantoin C4H6N2O2 114.0429 NA KEGG NA NA +C02777 2,5-Dioxopiperazine C4H6N2O2 114.0429 NA KEGG NA NA +C08311 Muscimol C4H6N2O2 114.0429 NA KEGG NA NA +MJ000663 5,6-Dihydrouracil C4H6N2O2 114.042927 NA MeJP NA NA +MJ000664 3-Cyano-L-alanine C4H6N2O2 114.042927 NA MeJP NA NA +MJ000665 N-Methylhydantoin C4H6N2O2 114.042927 NA MeJP NA NA +MJ000666 2-Amino-3-cyanopropanoic acid C4H6N2O2 114.042927 NA MeJP NA NA +MJ000667 3-Amidino-2-propenoic acid C4H6N2O2 114.042927 NA MeJP NA NA +MJ000668 5-(Aminomethyl)-3(2H)-isoxazolone C4H6N2O2 114.042927 NA MeJP NA NA +MJ000669 5-Methyl-2,4-imidazolidinedione C4H6N2O2 114.042927 NA MeJP NA NA +MJ000670 Dihydro-2,4(1H,3H)-pyrimidinedione C4H6N2O2 114.042927 NA MeJP NA NA +MetaCyc00425 N-methylhydantoin [N-Methylimidazolidine-2,4-dione;] C4H6N2O2 114.042927 NA metacyc NA NA +MetaCyc00426 2,5-dioxopiperazine [2,5-piperazinedione;cycloglycylglycine;glycylglycine lactam;] C4H6N2O2 114.042927 NA metacyc NA NA +MetaCyc00427 3-cyano-L-alanine [3-cyanoalanine;L-3-Cyanoalanine;] C4H6N2O2 114.042927 NA metacyc NA NA +MetaCyc00428 a 2,4-dioxotetrahydropyrimidine [] C4H6N2O2 114.042927 NA metacyc NA NA +MetaCyc00429 dihydrouracil [5,6-dihydrouracil;DI-H-uracil;4,5-dihydrouracil;] C4H6N2O2 114.042927 504-07-4 metacyc NA NA +HMDB00076 Dihydrouracil C4H6N2O2 114.04293 http://www.hmdb.ca/metabolites/HMDB00076 PFEM_hmdb_metabocards_urine NA urine +HMDB00076 Dihydrouracil C4H6N2O2 114.04293 http://www.hmdb.ca/metabolites/HMDB00076 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00076 Dihydrouracil C4H6N2O2 114.04293 http://www.hmdb.ca/metabolites/HMDB00076 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00076 Dihydrouracil C4H6N2O2 114.04293 http://www.hmdb.ca/metabolites/HMDB00076 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00076 Dihydrouracil C4H6N2O2 114.04293 http://www.hmdb.ca/metabolites/HMDB00076 HMDB NA NA +HMDB03646 N-Methylhydantoin C4H6N2O2 114.04293 http://www.hmdb.ca/metabolites/HMDB03646 HMDB NA NA +HMDB00076 Dihydrouracil C4H6N2O2 114.04293 http://www.hmdb.ca/metabolites/HMDB00076 PFEM_hmdb_metabocards_blood NA blood +HMDB00076 Dihydrouracil C4H6N2O2 114.04293 HMDB00076 PFEM_hmdb_metabocards_official NA NA +HMDB03646 N-Methylhydantoin C4H6N2O2 114.04293 HMDB03646 PFEM_hmdb_metabocards_official NA NA +HMDB00076 Dihydrouracil C4H6N2O2 114.042931 NA HMDB2010 NA NA +HMDB03646 N-Methylhydantoin C4H6N2O2 114.042931 NA HMDB2010 NA NA +C08370 Diallyl sulfide C6H10S 114.0503 NA KEGG NA NA +MJ000671 Di-2-propenyl sulfide C6H10S 114.050321 NA MeJP NA NA +CJpos0143 Creatinine (and isomer) [(M+H)]+ (13C) C313CH8N3O 114.061675 C18rt(min)=0.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0143 Creatinine (and isomer) [(M+H)]+ (13C) C313CH8N3O 114.061675 C18rt(min)=0.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +3180 dipeptidyl-aminopeptidase IV inhibitor LP 114.068 MH2+ Inhouse_peptide NA peptide +7513 ACE inhibitor from Alaskan pollack skin PL 114.068 MH2+ Inhouse_peptide NA peptide +7581 ACE inhibitor IP 114.068 MH2+ Inhouse_peptide NA peptide +HMDB00453 Delta-Hexanolactone C6H10O2 114.068077 NA HMDB2010 NA NA +HMDB03843 Gamma-Caprolactone C6H10O2 114.068077 NA HMDB2010 NA NA +HMDB10719 trans-Hex-2-enoic acid C6H10O2 114.068077 NA HMDB2010 NA NA +MJ000672 2,3-Hexanedione C6H10O2 114.068079 NA MeJP NA NA +MJ000673 2-Hexenoic acid C6H10O2 114.068079 NA MeJP NA NA +MJ000674 2-Hexyne-1,4-diol C6H10O2 114.068079 NA MeJP NA NA +MJ000675 3-Hexenoic acid C6H10O2 114.068079 NA MeJP NA NA +MJ000676 4-Ethyldihydro-2(3H)-furanone C6H10O2 114.068079 NA MeJP NA NA +MJ000677 4-Methyl-2-pentenoic acid C6H10O2 114.068079 NA MeJP NA NA +MJ000678 4-Methyl-3-pentenoic acid C6H10O2 114.068079 NA MeJP NA NA +MJ000679 5-Ethyldihydro-2(3H)-furanone C6H10O2 114.068079 NA MeJP NA NA +MJ000680 5-Oxohexanal C6H10O2 114.068079 NA MeJP NA NA +MJ000681 Dihydro-3,5-dimethyl-2(3H)-furanone C6H10O2 114.068079 NA MeJP NA NA +MJ000682 Dihydro-4,5-dimethyl-2(3H)-furanone C6H10O2 114.068079 NA MeJP NA NA +MJ000683 Tetrahydro-6-methyl-2H-pyran-2-one C6H10O2 114.068079 NA MeJP NA NA +MJ000684 2-Hydroxycyclohexan-1-one C6H10O2 114.068079 NA MeJP NA NA +MJ000685 6-Hexanolide C6H10O2 114.068079 NA MeJP NA NA +HMDB00453 delta-Hexanolactone C6H10O2 114.06808 http://www.hmdb.ca/metabolites/HMDB00453 HMDB NA NA +HMDB03843 gamma-Caprolactone C6H10O2 114.06808 http://www.hmdb.ca/metabolites/HMDB03843 HMDB NA NA +MetaCyc00430 6-hexanolide [1-oxa-2-oxocycloheptane;ε-caprolactone;hexano-6-lactone;] C6H10O2 114.06808 502-44-3 metacyc NA NA +MetaCyc00431 3-hydroxycyclohexanone [] C6H10O2 114.06808 NA metacyc NA NA +MetaCyc00432 2-hydroxycyclohexan-1-one [] C6H10O2 114.06808 533-60-8 metacyc NA NA +HMDB00453 delta-Hexanolactone C6H10O2 114.06808 HMDB00453 PFEM_hmdb_metabocards_official NA NA +HMDB03843 gamma-Caprolactone C6H10O2 114.06808 HMDB03843 PFEM_hmdb_metabocards_official NA NA +C01147 2-Hydroxycyclohexan-1-one C6H10O2 114.0681 NA KEGG NA NA +C01880 6-Hexanolide C6H10O2 114.0681 NA KEGG NA NA +C03228 3-Hydroxycyclohexanone C6H10O2 114.0681 NA KEGG NA NA +CJneg0035 2-isopropylmalic acid [(M-H)-(H2O)-(CO2)]- C6H9O2 114.068625 C18rt(min)=5.52 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0036 2,2-dimethylglutaric acid [(M-H)-(HCOOH)]- C6H9O2 114.068625 C18rt(min)=6.04 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0035 2-isopropylmalic acid [(M-H)-(H2O)-(CO2)]- C6H9O2 114.068625 C18rt(min)=5.52 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0036 2,2-dimethylglutaric acid [(M-H)-(HCOOH)]- C6H9O2 114.068625 C18rt(min)=6.04 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +HMDB00323 3-Amino-2-piperidone C5H10N2O 114.07931 http://www.hmdb.ca/metabolites/HMDB00323 HMDB NA NA +HMDB00323 3-Amino-2-piperidone C5H10N2O 114.07931 HMDB00323 PFEM_hmdb_metabocards_official NA NA +MJ000686 1-Pyrrolidinecarboxamide C5H10N2O 114.079312 NA MeJP NA NA +MJ000687 2-Amino-4,5-dihydro-4,4-dimethyloxazole C5H10N2O 114.079312 NA MeJP NA NA +HMDB00323 3-Amino-2-piperidone C5H10N2O 114.079315 NA HMDB2010 NA NA +CJpos0144 Isovalerylglycine [(M+H)-(HCOOH)]+ (13C) C513CH12NO 114.086875 C18rt(min)=5.2 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0144 Isovalerylglycine [(M+H)-(HCOOH)]+ (13C) C513CH12NO 114.086875 C18rt(min)=5.2 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +HMDB03671 2-Heptanone C7H14O 114.104462 NA HMDB2010 NA NA +HMDB04814 4-Heptanone C7H14O 114.104462 NA HMDB2010 NA NA +HMDB05841 Ethyl isobutyl ketone C7H14O 114.104462 NA HMDB2010 NA NA +MJ000688 2,4-Dimethyl-3-pentanone C7H14O 114.104465 NA MeJP NA NA +MJ000689 2,4-Dimethylpentanal C7H14O 114.104465 NA MeJP NA NA +MJ000690 2-Heptanone C7H14O 114.104465 NA MeJP NA NA +MJ000691 2-Methylhexanal C7H14O 114.104465 NA MeJP NA NA +MJ000692 3-Methyl-2-hexanone C7H14O 114.104465 NA MeJP NA NA +MJ000693 3-Methylcyclohexanol C7H14O 114.104465 NA MeJP NA NA +MJ000694 4-Heptanone C7H14O 114.104465 NA MeJP NA NA +MJ000695 4-Hepten-2-ol C7H14O 114.104465 NA MeJP NA NA +MJ000696 4-Methyl-3-hexanone C7H14O 114.104465 NA MeJP NA NA +MJ000697 Heptanal C7H14O 114.104465 NA MeJP NA NA +MetaCyc00433 heptaldehyde [heptanal;enanthal;] C7H14O1 114.104465 NA metacyc NA NA +HMDB04814 4-Heptanone C7H14O 114.10447 http://www.hmdb.ca/metabolites/HMDB04814 PFEM_hmdb_metabocards_urine NA urine +HMDB04814 4-Heptanone C7H14O 114.10447 http://www.hmdb.ca/metabolites/HMDB04814 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04814 4-Heptanone C7H14O 114.10447 http://www.hmdb.ca/metabolites/HMDB04814 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04814 4-Heptanone C7H14O 114.10447 http://www.hmdb.ca/metabolites/HMDB04814 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB03671 2-Heptanone C7H14O 114.10447 http://www.hmdb.ca/metabolites/HMDB03671 HMDB NA NA +HMDB04814 4-Heptanone C7H14O 114.10447 http://www.hmdb.ca/metabolites/HMDB04814 HMDB NA NA +HMDB05841 Ethyl isobutyl ketone C7H14O 114.10447 http://www.hmdb.ca/metabolites/HMDB05841 HMDB NA NA +HMDB04814 4-Heptanone C7H14O 114.10447 http://www.hmdb.ca/metabolites/HMDB04814 PFEM_hmdb_metabocards_blood NA blood +HMDB03671 2-Heptanone C7H14O 114.10447 HMDB03671 PFEM_hmdb_metabocards_official NA NA +HMDB04814 4-Heptanone C7H14O 114.10447 HMDB04814 PFEM_hmdb_metabocards_official NA NA +HMDB05841 Ethyl isobutyl ketone C7H14O 114.10447 HMDB05841 PFEM_hmdb_metabocards_official NA NA +C08380 2-Heptanone C7H14O 114.1045 NA KEGG NA NA +C14390 Heptanal C7H14O 114.1045 NA KEGG NA NA +CJpos0145 Trimethylamine oxide [(2M+H)-2(H2O)]+ C6H15N2O0 114.115175 C18rt(min)=0.89 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0145 Trimethylamine oxide [(2M+H)-2(H2O)]+ C6H15N2O0 114.115175 C18rt(min)=0.89 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB01485 Octane C8H18 114.14085 http://www.hmdb.ca/metabolites/HMDB01485 HMDB NA NA +MJ000698 2,3-Dimethylhexane C8H18 114.14085 NA MeJP NA NA +MJ000699 3,3-Dimethylhexane C8H18 114.14085 NA MeJP NA NA +MJ000700 3-Methylheptane C8H18 114.14085 NA MeJP NA NA +MJ000701 Octane C8H18 114.14085 NA MeJP NA NA +HMDB01485 Octane C8H18 114.14085 HMDB01485 PFEM_hmdb_metabocards_official NA NA +MetaCyc00434 octane [n-octane;] C8H18 114.140851 111-65-9 metacyc NA NA +HMDB01485 Octane C8H18 114.140854 NA HMDB2010 NA NA +C01387 Octane C8H18 114.1409 NA KEGG NA NA +C11627 ortho-Vanadate VO4 114.9236 NA KEGG NA NA +MJ000702 Thiosulfate H3O3S2 114.95236 NA MeJP NA NA +MetaCyc00435 sodium diethyldithiocarbamate [] C1H2N1NA1S2 114.952635 NA metacyc NA NA +C01596 Maleamate C4H5NO3 115.0269 NA KEGG NA NA +MJ000703 Maleamate C4H5NO3 115.026943 NA MeJP NA NA +MetaCyc00436 maleamate [maleic acid monoamide;maleamate;maleamic acid;] C4H5N1O3 115.026943 557-24-4 metacyc NA NA +CJneg0037 Aspartic acid [(M-H)-(H2O)]- C4H4NO3 115.027525 C18rt(min)=0.89 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0038 N-Acetylaspartic acid [(M-H)-(C2H4O2)]- C4H4NO3 115.027525 C18rt(min)=1.04 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0037 Aspartic acid [(M-H)-(H2O)]- C4H4NO3 115.027525 C18rt(min)=0.89 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0038 N-Acetylaspartic acid [(M-H)-(C2H4O2)]- C4H4NO3 115.027525 C18rt(min)=1.04 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ000704 1-Isothiocyanato-2-methylpropane C5H9NS 115.045569 NA MeJP NA NA +MJ000705 1-Isothiocyanatobutane C5H9NS 115.045569 NA MeJP NA NA +MJ000706 2-Isothiocyanatobutane C5H9NS 115.045569 NA MeJP NA NA +JH002 Proline [M+H]+ C5H9NO2 115.0612 1.28 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH002 Proline [M+H]+ C5H9NO2 115.0612 1.28 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH002 Proline [M+H]+ C5H9NO2 115.0612 1.28 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH002 Proline [M+H]+ C5H9NO2 115.0612 1.28 Inhousejuil11 NA NA +CJpos0146 N-acetylneuraminic acid [(M+H)-(C6H10O7)]+ C5H10NO2 115.062775 C18rt(min)=0.9 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0147 Proline [M+H]+ C5H10O2N 115.062775 C18rt(min)=0.94 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0148 4-Acetamidobutanoic acid isomer [(M+H)-(CH2O)]+ C5H10NO2 115.062775 C18rt(min)=1.8 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0146 N-acetylneuraminic acid [(M+H)-(C6H10O7)]+ C5H10NO2 115.062775 C18rt(min)=0.9 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0147 Proline [M+H]+ C5H10O2N 115.062775 C18rt(min)=0.94 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0148 4-Acetamidobutanoic acid isomer [(M+H)-(CH2O)]+ C5H10NO2 115.062775 C18rt(min)=1.8 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +LABER012 Proline NA 115.0633 RT 2.34 fragt 116, 70, 68 PFEM_hmdb_metabocards_urine NA urine +EUR604 Proline [M+H]+ 115.0633 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER012 Proline NA 115.0633 RT 2.34 fragt 116, 70, 68 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR604 Proline [M+H]+ 115.0633 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER012 Proline NA 115.0633 RT 2.34 fragt 116, 70, 68 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR604 Proline [M+H]+ 115.0633 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER012 Proline NA 115.0633 RT 2.34 fragt 116, 70, 68 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER012 Proline NA 115.0633 RT 2.34 fragt 116, 70, 68 HMDB NA NA +LABER012 Proline NA 115.0633 RT 2.34 fragt 116, 70, 68 Inhouse_PFEM NA NA +LABER012 Proline NA 115.0633 116.0705 Inhouse_sept12 NA NA +EUR604 Proline [M+H]+ 115.0633 identifies dans standard mixture NuGO Inhousejuil11 NA NA +LABER012 Proline NA 115.0633 RT 2.34 fragt 116, 70, 68 Inhousejuil11 NA NA +C00148 L-Proline C5H9NO2 115.0633 NA KEGG NA NA +C00763 D-Proline C5H9NO2 115.0633 NA KEGG NA NA +C16435 Proline C5H9NO2 115.0633 NA KEGG NA NA +C18170 3-Acetamidopropanal C5H9NO2 115.0633 NA KEGG NA NA +PJ000004 P C5H9NO2 115.0633 NA PeJP NA NA +LABER012 Proline NA 115.0633 RT 2.34 fragt 116, 70, 68 PFEM_hmdb_metabocards_blood NA blood +LABER012 Proline NA 115.0633 RT 2.34 fragt 116, 70, 68 PFEM_hmdb_metabocards_official NA NA +MJ000707 D-Proline C5H9NO2 115.063328 NA MeJP NA NA +MJ000708 L-Proline C5H9NO2 115.063328 NA MeJP NA NA +MJ000709 2-(Aminomethyl)-2-propenoic acid; Me ester C5H9NO2 115.063328 NA MeJP NA NA +MJ000710 2-Amino-4-hydroxypentanoic acid, Lactone C5H9NO2 115.063328 NA MeJP NA NA +MJ000711 2-Amino-4-pentenoic acid C5H9NO2 115.063328 NA MeJP NA NA +MJ000712 4-Amino-2-methylenebutanoic acid C5H9NO2 115.063328 NA MeJP NA NA +MJ000713 5-Hydroxy-2-pyrrolidinone, Me ether C5H9NO2 115.063328 NA MeJP NA NA +MJ000714 Proline C5H9NO2 115.063328 NA MeJP NA NA +MetaCyc00437 L-proline [2-pyrrolidinecarboxylic acid;P;proline;prol;pro;] C5H9N1O2 115.063329 147-85-3 metacyc NA NA +MetaCyc00438 D-proline [] C5H9N1O2 115.063329 344-25-2 metacyc NA NA +HMDB00162 L-Proline C5H9NO2 115.06333 http://www.hmdb.ca/metabolites/HMDB00162 PFEM_hmdb_metabocards_urine NA urine +HMDB00162 L-Proline C5H9NO2 115.06333 http://www.hmdb.ca/metabolites/HMDB00162 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00162 L-Proline C5H9NO2 115.06333 http://www.hmdb.ca/metabolites/HMDB00162 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00162 L-Proline C5H9NO2 115.06333 http://www.hmdb.ca/metabolites/HMDB00162 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00162 L-Proline C5H9NO2 115.06333 http://www.hmdb.ca/metabolites/HMDB00162 HMDB NA NA +HMDB00162 L-Proline C5H9NO2 115.06333 Polypeptides ;SYN:Hypertensin; 1-L-Aspasaginyl-5-L-valyl angiotensin octapeptide; Angiotonin; Ang II; Asp-arg-val-TYR-ile-his-pro-phe; 1-8-Angiotensin I; Angiotensin 2; Human angiotensin II; Angiotensin II (human); Angiotensin II (mouse); Ile(5)-angiotensin IIH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00162 L-Proline C5H9NO2 115.06333 http://www.hmdb.ca/metabolites/HMDB00162 PFEM_hmdb_metabocards_blood NA blood +HMDB00162 L-Proline C5H9NO2 115.06333 HMDB00162 PFEM_hmdb_metabocards_official NA NA +HMDB00162 L-Proline C5H9NO2 115.063332 NA HMDB2010 NA NA +HMDB03411 D-Proline C5H9NO2 115.063332 NA HMDB2010 NA NA +8320 Glucose uptake stimulating peptide VL 115.076 MH2+ Inhouse_peptide NA peptide +8321 Glucose uptake stimulating peptide LV 115.076 MH2+ Inhouse_peptide NA peptide +8322 Glucose uptake stimulating peptide IV 115.076 MH2+ Inhouse_peptide NA peptide +CJpos0149 Carnitine (and isomer) [(M+H)-(HCOOH)]+ C6H14NO 115.099175 C18rt(min)=0.95 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0149 Carnitine (and isomer) [(M+H)-(HCOOH)]+ C6H14NO 115.099175 C18rt(min)=0.95 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ000715 1-Methylpiperidine; N-Oxide C6H13NO 115.099714 NA MeJP NA NA +MJ000716 2-Methyl-1-propylamine; N-Ac C6H13NO 115.099714 NA MeJP NA NA +MJ000717 4-Amino-4-methyl-2-pentanone C6H13NO 115.099714 NA MeJP NA NA +MJ000718 4-Methylpentanoic acid; Amide C6H13NO 115.099714 NA MeJP NA NA +MJ000719 1-Ethyl-1-(2-hydroxyethyl)aziridinium(1+) C6H14NO(+) 115.099714 NA MeJP NA NA +MJ000720 1-Heptylamine C7H17N 115.136099 NA MeJP NA NA +MJ000721 2-Heptylamine C7H17N 115.136099 NA MeJP NA NA +MJ000722 2-Methyl-1-propylamine; N-Propyl C7H17N 115.136099 NA MeJP NA NA +MJ000723 4-Methyl-2-hexylamine C7H17N 115.136099 NA MeJP NA NA +7603 ACE inhibitor GR 115.561 MH2+ Inhouse_peptide NA peptide +HMDB00736 Isobutyryl-L-carnitine C11H21NO4 115.573532 MH2+ Inhouse_peptide NA peptide +HMDB02013 Butyrylcarnitine C11H21NO4 115.573532 MH2+ Inhouse_peptide NA peptide +MetaCyc00439 chromate [] O4CR1 115.92017 NA metacyc NA NA +LABER049 Fumarate NA 116.010956 NA PFEM_hmdb_metabocards_urine NA urine +LABER049 Fumarate NA 116.010956 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER049 Fumarate NA 116.010956 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER049 Fumarate NA 116.010956 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER049 Fumarate NA 116.010956 NA HMDB NA NA +HMDB00134 Fumaric acid C4H4O4 116.010956 NA HMDB2010 NA NA +HMDB00176 Maleic acid C4H4O4 116.010956 NA HMDB2010 NA NA +LABER049 Fumarate NA 116.010956 NA Inhouse_PFEM NA NA +LABER049 Fumarate NA 116.010956 NA Inhousejuil11 NA NA +LABER049 Fumarate NA 116.010956 NA PFEM_hmdb_metabocards_blood NA blood +LABER049 Fumarate NA 116.010956 NA PFEM_hmdb_metabocards_official NA NA +MJ000724 Fumarate C4H4O4 116.010958 NA MeJP NA NA +MJ000725 Maleic acid C4H4O4 116.010958 NA MeJP NA NA +MJ000726 Fumaric acid C4H4O4 116.010958 NA MeJP NA NA +MetaCyc00440 maleate [maleic acid;cis-butenedioic acid;] C4H4O4 116.010959 110-16-7 metacyc NA NA +MetaCyc00441 fumarate [fum;fumaric acid;] C4H4O4 116.010959 110-17-8 metacyc NA NA +HMDB00134 Fumaric acid C4H4O4 116.01096 http://www.hmdb.ca/metabolites/HMDB00134 PFEM_hmdb_metabocards_urine NA urine +HMDB00176 Maleic acid C4H4O4 116.01096 http://www.hmdb.ca/metabolites/HMDB00176 PFEM_hmdb_metabocards_urine NA urine +HMDB00134 Fumaric acid C4H4O4 116.01096 http://www.hmdb.ca/metabolites/HMDB00134 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00134 Fumaric acid C4H4O4 116.01096 http://www.hmdb.ca/metabolites/HMDB00134 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00176 Maleic acid C4H4O4 116.01096 http://www.hmdb.ca/metabolites/HMDB00176 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00134 Fumaric acid C4H4O4 116.01096 http://www.hmdb.ca/metabolites/HMDB00134 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00176 Maleic acid C4H4O4 116.01096 http://www.hmdb.ca/metabolites/HMDB00176 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00134 Fumaric acid C4H4O4 116.01096 http://www.hmdb.ca/metabolites/HMDB00134 HMDB NA NA +HMDB00176 Maleic acid C4H4O4 116.01096 http://www.hmdb.ca/metabolites/HMDB00176 HMDB NA NA +HMDB00134 Fumaric acid C4H4O4 116.01096 http://www.hmdb.ca/metabolites/HMDB00134 PFEM_hmdb_metabocards_blood NA blood +HMDB00134 Fumaric acid C4H4O4 116.01096 HMDB00134 PFEM_hmdb_metabocards_official NA NA +HMDB00176 Maleic acid C4H4O4 116.01096 HMDB00176 PFEM_hmdb_metabocards_official NA NA +C00122 Fumarate C4H4O4 116.011 NA KEGG NA NA +C01384 Maleic acid C4H4O4 116.011 NA KEGG NA NA +C02150 Formylpyruvate C4H4O4 116.011 NA KEGG NA NA +CJneg0039 Fumaric acid [M-H]- C4H3O4 116.011525 C18rt(min)=1.1 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0040 Maleic acid [(M-H)]- C4H3O4 116.011525 C18rt(min)=1.6 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0044 Ascorbic acid [(M-H)-(C2H4O2)]- C4H3O4 116.011525 C18rt(min)=1.04 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0039 Fumaric acid [M-H]- C4H3O4 116.011525 C18rt(min)=1.1 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0040 Maleic acid [(M-H)]- C4H3O4 116.011525 C18rt(min)=1.6 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0044 Ascorbic acid [(M-H)-(C2H4O2)]- C4H3O4 116.011525 C18rt(min)=1.04 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +JH220 Chlorogenic acid [163-HCOOH]+ NA 116.0257 11.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH220 Chlorogenic acid [163-HCOOH]+ NA 116.0257 11.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH220 Chlorogenic acid [163-HCOOH]+ NA 116.0257 11.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH220 Chlorogenic acid [163-HCOOH]+ NA 116.0257 11.5 Inhousejuil11 NA NA +MJ000727 2-Propenylthiourea C4H8N2S 116.040818 NA MeJP NA NA +EUR428 Deoxyuridine F5 F5 116.046675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR428 Deoxyuridine F5 NA 116.046675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR428 Deoxyuridine F5 F5 116.046675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR428 Deoxyuridine F5 NA 116.046675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR428 Deoxyuridine F5 F5 116.046675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR428 Deoxyuridine F5 NA 116.046675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR428 Deoxyuridine F5 F5 116.046675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR428 Deoxyuridine F5 F5 116.046675 standards wishlist analysés sur QTOF HMDB NA NA +EUR428 Deoxyuridine F5 F5 116.046675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR428 Deoxyuridine F5 NA 116.046675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR428 Deoxyuridine F5 F5 116.046675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR428 Deoxyuridine F5 F5 116.046675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0150 (2-methoxyethoxy)propanoic acid [(M+H)-(CH3OH)]+ C5H9O3 116.046775 C18rt(min)=4.95 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0150 (2-methoxyethoxy)propanoic acid [(M+H)-(CH3OH)]+ C5H9O3 116.046775 C18rt(min)=4.95 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C00141 3-Methyl-2-oxobutanoic acid C5H8O3 116.0473 NA KEGG NA NA +C02233 3-Oxopentanoic acid C5H8O3 116.0473 NA KEGG NA NA +C03273 5-Oxopentanoate C5H8O3 116.0473 NA KEGG NA NA +C06255 2-Oxopentanoic acid C5H8O3 116.0473 NA KEGG NA NA +HMDB00019 a-Ketoisovaleric acid C5H8O3 116.04734 http://www.hmdb.ca/metabolites/HMDB00019 PFEM_hmdb_metabocards_urine NA urine +HMDB01865 2-Oxovaleric acid C5H8O3 116.04734 http://www.hmdb.ca/metabolites/HMDB01865 PFEM_hmdb_metabocards_urine NA urine +HMDB00019 a-Ketoisovaleric acid C5H8O3 116.04734 http://www.hmdb.ca/metabolites/HMDB00019 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01865 2-Oxovaleric acid C5H8O3 116.04734 http://www.hmdb.ca/metabolites/HMDB01865 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00019 a-Ketoisovaleric acid C5H8O3 116.04734 http://www.hmdb.ca/metabolites/HMDB00019 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01865 2-Oxovaleric acid C5H8O3 116.04734 http://www.hmdb.ca/metabolites/HMDB01865 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00019 a-Ketoisovaleric acid C5H8O3 116.04734 http://www.hmdb.ca/metabolites/HMDB00019 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01865 2-Oxovaleric acid C5H8O3 116.04734 http://www.hmdb.ca/metabolites/HMDB01865 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00019 a-Ketoisovaleric acid C5H8O3 116.04734 http://www.hmdb.ca/metabolites/HMDB00019 HMDB NA NA +HMDB00310 Methylacetoacetic acid C5H8O3 116.04734 http://www.hmdb.ca/metabolites/HMDB00310 HMDB NA NA +HMDB00720 Levulinic acid C5H8O3 116.04734 http://www.hmdb.ca/metabolites/HMDB00720 HMDB NA NA +HMDB01865 2-Oxovaleric acid C5H8O3 116.04734 http://www.hmdb.ca/metabolites/HMDB01865 HMDB NA NA +HMDB03771 2-Methylacetoacetic acid C5H8O3 116.04734 http://www.hmdb.ca/metabolites/HMDB03771 HMDB NA NA +HMDB00019 a-Ketoisovaleric acid C5H8O3 116.04734 http://www.hmdb.ca/metabolites/HMDB00019 PFEM_hmdb_metabocards_blood NA blood +HMDB01865 2-Oxovaleric acid C5H8O3 116.04734 http://www.hmdb.ca/metabolites/HMDB01865 PFEM_hmdb_metabocards_blood NA blood +HMDB00019 a-Ketoisovaleric acid C5H8O3 116.04734 HMDB00019 PFEM_hmdb_metabocards_official NA NA +HMDB00310 Methylacetoacetic acid C5H8O3 116.04734 HMDB00310 PFEM_hmdb_metabocards_official NA NA +HMDB00720 Levulinic acid C5H8O3 116.04734 HMDB00720 PFEM_hmdb_metabocards_official NA NA +HMDB01865 2-Oxovaleric acid C5H8O3 116.04734 HMDB01865 PFEM_hmdb_metabocards_official NA NA +HMDB03771 2-Methylacetoacetic acid C5H8O3 116.04734 HMDB03771 PFEM_hmdb_metabocards_official NA NA +HMDB00019 Alpha-ketoisovaleric acid C5H8O3 116.04734 NA HMDB2010 NA NA +HMDB00310 Methylacetoacetic acid C5H8O3 116.04734 NA HMDB2010 NA NA +HMDB00720 Levulinic acid C5H8O3 116.04734 NA HMDB2010 NA NA +HMDB01865 2-Oxovaleric acid C5H8O3 116.04734 NA HMDB2010 NA NA +HMDB03771 2-Methylacetoacetic acid C5H8O3 116.04734 NA HMDB2010 NA NA +HMDB12233 Glutarate semialdehyde C5H8O3 116.04734 NA HMDB2010 NA NA +MJ000728 (R)-2-Oxoisovalerate C5H8O3 116.047344 NA MeJP NA NA +MJ000729 3-Methyl-2-oxobutanoate C5H8O3 116.047344 NA MeJP NA NA +MJ000730 Glutarate semialdehyde C5H8O3 116.047344 NA MeJP NA NA +MJ000731 2-Hydroxymethyl-2-butenoic acid C5H8O3 116.047344 NA MeJP NA NA +MJ000732 2-Oxopentanoic acid C5H8O3 116.047344 NA MeJP NA NA +MJ000733 3-Methyl-2-oxobutanoic acid C5H8O3 116.047344 NA MeJP NA NA +MJ000734 4-Cyclopentene-1,2,3-triol C5H8O3 116.047344 NA MeJP NA NA +MJ000735 4-Oxopentanoic acid C5H8O3 116.047344 NA MeJP NA NA +MJ000736 5-Hydroxy-2,3-pentanedione C5H8O3 116.047344 NA MeJP NA NA +MJ000737 Dihydro-4-hydroxy-3-methyl-2(3H)-furanone C5H8O3 116.047344 NA MeJP NA NA +MetaCyc00442 2-ketopentanoate [2-ketopentanoic acid;2-oxopentanoic acid;2-oxovaleric acid;2-oxopentanoate;α-ketovaleric acid;] C5H8O3 116.047344 1821-02-9 metacyc NA NA +MetaCyc00443 glutarate semialdehyde [5-oxopentanoate;] C5H8O3 116.047344 NA metacyc NA NA +MetaCyc00444 2-keto-isovalerate [2-oxo-3-methylbutanoate;3-methyl-2-oxobutanoate;α-keto-isovaleric acid;α-ketoisopentanoic acid;α-keto-isovalerate;α-oxoisovalerate;α-ketovaline;2-oxoisovalerate;2-ketovaline;α-keto-valine;2-oxoisopentanoate;2-keto-3-methylbutyric acid;] C5H8O3 116.047344 759-05-7 metacyc NA NA +CJneg0041 2-Oxoadipic acid [(M-H)-(CO2)]- C5H7O3 116.047925 C18rt(min)=4.65 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0042 3-Oxoadipic acid [(M-H)-(CO2)]- C5H7O3 116.047925 C18rt(min)=4.5 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0041 2-Oxoadipic acid [(M-H)-(CO2)]- C5H7O3 116.047925 C18rt(min)=4.65 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0042 3-Oxoadipic acid [(M-H)-(CO2)]- C5H7O3 116.047925 C18rt(min)=4.5 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ000738 3-Amino-2-pyrrolidinone, N-OH C4H8N2O2 116.058577 NA MeJP NA NA +MJ000739 5-(Aminomethyl)-3-isoxazolidinone C4H8N2O2 116.058577 NA MeJP NA NA +C16622 N,N'-Diacetylhydrazine C4H8N2O2 116.0586 NA KEGG NA NA +MJ000740 2-Propylthietane C6H12S 116.065971 NA MeJP NA NA +EUR004 4-hydroxyhexenal C6H12O2 116.0837 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR004 4-hydroxyhexenal C6H12O2 116.0837 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR004 4-hydroxyhexenal C6H12O2 116.0837 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR004 4-hydroxyhexenal C6H12O2 116.0837 Wishlist Inhousejuil11 NA NA +C01585 Hexanoic acid C6H12O2 116.0837 NA KEGG NA NA +C02948 4-Hydroxyhexan-3-one C6H12O2 116.0837 NA KEGG NA NA +C03739 trans-Cyclohexane-1,2-diol C6H12O2 116.0837 NA KEGG NA NA +C03740 (5-L-Glutamyl)-L-amino acid C7H11N2O5R 116.0837 NA KEGG NA NA +C12293 Isoamyl formate C6H12O2 116.0837 NA KEGG NA NA +C12304 Butyl acetate C6H12O2 116.0837 NA KEGG NA NA +C12313 cis-Cyclohexane-1,2-diol C6H12O2 116.0837 NA KEGG NA NA +MJ000741 trans-Cyclohexane-1,2-diol C6H12O2 116.083729 NA MeJP NA NA +MJ000742 1,2-Cyclohexanediol C6H12O2 116.083729 NA MeJP NA NA +MJ000743 1-Hydroxy-3-hexanone C6H12O2 116.083729 NA MeJP NA NA +MJ000744 2,4,5-Trimethyl-1,3-dioxolane C6H12O2 116.083729 NA MeJP NA NA +MJ000745 2-Ethylbutanoic acid C6H12O2 116.083729 NA MeJP NA NA +MJ000746 2-Hydroxy-3-hexanone C6H12O2 116.083729 NA MeJP NA NA +MJ000747 2-Methyl-1-propanol; Ac C6H12O2 116.083729 NA MeJP NA NA +MJ000748 2-Methylbutanoic acid, Me ester C6H12O2 116.083729 NA MeJP NA NA +MJ000749 2-Methylpentanoic acid C6H12O2 116.083729 NA MeJP NA NA +MJ000750 2-Methylpropanoic acid; Et ester C6H12O2 116.083729 NA MeJP NA NA +MJ000751 3-Hydroxy-2-hexanone C6H12O2 116.083729 NA MeJP NA NA +MJ000752 3-Methylpentanoic acid C6H12O2 116.083729 NA MeJP NA NA +MJ000753 4-Hydroxy-4-methyl-2-pentanone C6H12O2 116.083729 NA MeJP NA NA +MJ000754 4-Methylpentanoic acid C6H12O2 116.083729 NA MeJP NA NA +MJ000755 6-Hydroxy-3-hexanone C6H12O2 116.083729 NA MeJP NA NA +MJ000756 Butanoic acid; Et ester C6H12O2 116.083729 NA MeJP NA NA +MJ000757 Hexanoic acid C6H12O2 116.083729 NA MeJP NA NA +MJ000758 Pentanoic acid; Me ester C6H12O2 116.083729 NA MeJP NA NA +MJ000759 Tetrahydro-5-methyl-2-furanmethanol C6H12O2 116.083729 NA MeJP NA NA +EUR004 4-hydroxyhexenal C6H12O2 116.08373 Wishlist PFEM_hmdb_metabocards_urine NA urine +HMDB00535 Caproic acid C6H12O2 116.08373 http://www.hmdb.ca/metabolites/HMDB00535 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR004 4-hydroxyhexenal C6H12O2 116.08373 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR004 4-hydroxyhexenal C6H12O2 116.08373 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR004 4-hydroxyhexenal C6H12O2 116.08373 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00535 Caproic acid C6H12O2 116.08373 http://www.hmdb.ca/metabolites/HMDB00535 HMDB NA NA +HMDB00689 Isocaproic acid C6H12O2 116.08373 http://www.hmdb.ca/metabolites/HMDB00689 HMDB NA NA +EUR004 4-hydroxyhexenal C6H12O2 116.08373 Wishlist HMDB NA NA +EUR004 4-hydroxyhexenal C6H12O2 116.08373 Wishlist Inhouse_PFEM NA NA +MetaCyc00445 trans-cyclohexane-1,2-diol [] C6H12O2 116.08373 1460-57-7 metacyc NA NA +MetaCyc00446 hexanoate [Hexanoate (n-C6:0);hexanoic acid;caproate;] C6H12O2 116.08373 142-62-1 metacyc NA NA +MetaCyc00447 4-hydroxyhexan-3-one [4-Hydroxy-3-hexanone;Propioin;] C6H12O2 116.08373 4984-85-4 metacyc NA NA +HMDB00535 Caproic acid C6H12O2 116.08373 http://www.hmdb.ca/metabolites/HMDB00535 PFEM_hmdb_metabocards_blood NA blood +EUR004 4-hydroxyhexenal C6H12O2 116.08373 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR004 4-hydroxyhexenal C6H12O2 116.08373 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00535 Caproic acid C6H12O2 116.08373 HMDB00535 PFEM_hmdb_metabocards_official NA NA +HMDB00689 Isocaproic acid C6H12O2 116.08373 HMDB00689 PFEM_hmdb_metabocards_official NA NA +LABER043 Isocaproic acid or 4-methyl-valerate NA 116.083733 NA PFEM_hmdb_metabocards_urine NA urine +LABER045 caproic NA 116.083733 NA PFEM_hmdb_metabocards_urine NA urine +LABER043 Isocaproic acid or 4-methyl-valerate NA 116.083733 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER045 caproic NA 116.083733 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER043 Isocaproic acid or 4-methyl-valerate NA 116.083733 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER045 caproic NA 116.083733 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER043 Isocaproic acid or 4-methyl-valerate NA 116.083733 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER045 caproic NA 116.083733 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER043 Isocaproic acid or 4-methyl-valerate NA 116.083733 NA HMDB NA NA +LABER045 caproic NA 116.083733 NA HMDB NA NA +HMDB00535 Caproic acid C6H12O2 116.083733 NA HMDB2010 NA NA +HMDB00689 Isocaproic acid C6H12O2 116.083733 NA HMDB2010 NA NA +LABER043 Isocaproic acid or 4-methyl-valerate NA 116.083733 NA Inhouse_PFEM NA NA +LABER045 caproic NA 116.083733 NA Inhouse_PFEM NA NA +LABER043 Isocaproic acid or 4-methyl-valerate NA 116.083733 NA Inhousejuil11 NA NA +LABER045 caproic NA 116.083733 NA Inhousejuil11 NA NA +LABER043 Isocaproic acid or 4-methyl-valerate NA 116.083733 NA PFEM_hmdb_metabocards_blood NA blood +LABER045 caproic NA 116.083733 NA PFEM_hmdb_metabocards_blood NA blood +LABER043 Isocaproic acid or 4-methyl-valerate NA 116.083733 NA PFEM_hmdb_metabocards_official NA NA +LABER045 caproic NA 116.083733 NA PFEM_hmdb_metabocards_official NA NA +HMDB12176 5-Aminopentanamide C5H12N2O 116.094963 NA HMDB2010 NA NA +MJ000760 5-Aminopentanamide C5H12N2O 116.094963 NA MeJP NA NA +MJ000761 (Carbamoylmethyl)trimethylammonium(1+) C5H13N2O(+) 116.094963 NA MeJP NA NA +MetaCyc00448 5-aminopentanamide [] C5H12N2O1 116.094963 NA metacyc NA NA +C00990 5-Aminopentanamide C5H12N2O 116.095 NA KEGG NA NA +C00991 alpha-D-Aldose 1-phosphate C5H12N2O 116.095 NA KEGG NA NA +HMDB12296 Trimethylaminoacetone C6H14NO 116.107536 NA HMDB2010 NA NA +MetaCyc00449 trimethylaminoacetone [] C6H14N1O1 116.107539 NA metacyc NA NA +MJ000762 1-Heptanol C7H16O 116.120115 NA MeJP NA NA +MJ000763 2-Heptanol C7H16O 116.120115 NA MeJP NA NA +MJ000764 2-Methyl-1-hexanol C7H16O 116.120115 NA MeJP NA NA +MJ000765 3-Heptanol C7H16O 116.120115 NA MeJP NA NA +MJ000766 4-Methyl-1-hexanol C7H16O 116.120115 NA MeJP NA NA +MJ000767 4-Methyl-3-hexanol C7H16O 116.120115 NA MeJP NA NA +C02231 3-Nitroacrylate C3H3NO4 117.0062 NA KEGG NA NA +MetaCyc00450 3-nitroacrylate [] C3H3N1O4 117.006208 NA metacyc NA NA +CJneg0043 Maleic acid [(M-H)]- (13C) C3[13]CH3O4 117.014825 C18rt(min)=1.6 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0043 Maleic acid [(M-H)]- (13C) C3[13]CH3O4 117.014825 C18rt(min)=1.6 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +JH032 Homocysteine [M+H-H20]+ NA 117.0247 1.28 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH032 Homocysteine [M+H-H20]+ NA 117.0247 1.28 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH032 Homocysteine [M+H-H20]+ NA 117.0247 1.28 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH032 Homocysteine [M+H-H20]+ NA 117.0247 1.28 Inhousejuil11 NA NA +HMDB02287 Homocysteine thiolactone C4H7NOS 117.02483 http://www.hmdb.ca/metabolites/HMDB02287 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02287 Homocysteine thiolactone C4H7NOS 117.02483 http://www.hmdb.ca/metabolites/HMDB02287 HMDB NA NA +HMDB02287 Homocysteine thiolactone C4H7NOS 117.02483 Tripeptides ;SYN:Epsilon-(gamma-glu)-LYS; Epsilon-(gamma-l-glutamyl)-l-lysine; Epsilon-(gamma-glutamyl)lysine; Epsilon-(gamma-glutamyl)-lysine; Epsilon-(gamma-glutamyl)lysine isodipeptide; N(epsilon)-(gamma-glutamyl)-lysine; N(6)-L-gamma-Glutamyl-L-lysineH2Blood; Cerebrospinal Fluid Inhouse_peptide NA peptide +HMDB02287 Homocysteine thiolactone C4H7NOS 117.02483 http://www.hmdb.ca/metabolites/HMDB02287 PFEM_hmdb_metabocards_blood NA blood +HMDB02287 Homocysteine thiolactone C4H7NOS 117.02483 HMDB02287 PFEM_hmdb_metabocards_official NA NA +HMDB02287 Homocysteine thiolactone C4H7NOS 117.024834 NA HMDB2010 NA NA +MJ000768 3-(Methylthio)-2-propenoic acid, Amide C4H7NOS 117.024834 NA MeJP NA NA +MJ000769 3-Isothiocyanato-1-propanol C4H7NOS 117.024834 NA MeJP NA NA +MJ000770 4-Methyl-2-oxazolidinethione C4H7NOS 117.024834 NA MeJP NA NA +MJ000771 Tetrahydro-2H-1,3-oxazine-2-thione C4H7NOS 117.024834 NA MeJP NA NA +EUR288 Homocysteine F4 F4 117.026775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR288 Homocysteine F4 NA 117.026775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR288 Homocysteine F4 F4 117.026775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR288 Homocysteine F4 NA 117.026775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR288 Homocysteine F4 F4 117.026775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR288 Homocysteine F4 NA 117.026775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR288 Homocysteine F4 F4 117.026775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR288 Homocysteine F4 F4 117.026775 standards wishlist analysés sur QTOF HMDB NA NA +EUR288 Homocysteine F4 F4 117.026775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR288 Homocysteine F4 NA 117.026775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR288 Homocysteine F4 F4 117.026775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR288 Homocysteine F4 F4 117.026775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +8330 Stimulating vasoactive substance release SE 117.037 MH2+ Inhouse_peptide NA peptide +HMDB00532 Acetylglycine C4H7NO3 117.04259 http://www.hmdb.ca/metabolites/HMDB00532 HMDB NA NA +HMDB06454 L-2-Amino-3-oxobutanoate C4H7NO3 117.04259 http://www.hmdb.ca/metabolites/HMDB06454 HMDB NA NA +HMDB00532 Acetylglycine C4H7NO3 117.04259 HMDB00532 PFEM_hmdb_metabocards_official NA NA +HMDB06454 L-2-Amino-3-oxobutanoate C4H7NO3 117.04259 HMDB06454 PFEM_hmdb_metabocards_official NA NA +MJ000772 2-Amino-4-oxobutanoic acid C4H7NO3 117.042593 NA MeJP NA NA +MJ000773 3-Amino-2-oxetanecarboxylic acid C4H7NO3 117.042593 NA MeJP NA NA +MJ000774 N-Acetylglycine C4H7NO3 117.042593 NA MeJP NA NA +MJ000775 L-2-Amino-3-oxobutanoate C4H7NO3 117.042593 NA MeJP NA NA +MJ000776 L-Aspartate 4-semialdehyde C4H7NO3 117.042593 NA MeJP NA NA +MetaCyc00451 succanimate [succanimic acid;] C4H7N1O3 117.042593 638-32-4 metacyc NA NA +MetaCyc00452 2-amino-3-oxobutanoate [2-amino-acetoacetate;2-amino-3-ketobutyrate;2-amino-3-oxobutyrate;α-amino-β-ketobutyrate;L-2-amino-3-oxobutanoate;] C4H7N1O3 117.042593 NA metacyc NA NA +MetaCyc00453 L-aspartate-semialdehyde [L-aspartic 4-semialdehyde;L-aspartate-4-semialdehyde;L-aspartate β-semialdehyde;] C4H7N1O3 117.042593 15106-57-7 metacyc NA NA +MetaCyc00454 3-ketothreonine [3-K-thr;3-oxothreonine;3-keto-thr;] C4H7N1O3 117.042593 NA metacyc NA NA +EUR011 2-amino-3-ketobutyric acid C4H7NO3 117.042594 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR011 2-amino-3-ketobutyric acid C4H7NO3 117.042594 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR011 2-amino-3-ketobutyric acid C4H7NO3 117.042594 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR011 2-amino-3-ketobutyric acid C4H7NO3 117.042594 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR011 2-amino-3-ketobutyric acid C4H7NO3 117.042594 Wishlist HMDB NA NA +EUR011 2-amino-3-ketobutyric acid C4H7NO3 117.042594 Wishlist Inhouse_PFEM NA NA +EUR011 2-amino-3-ketobutyric acid C4H7NO3 117.042594 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR011 2-amino-3-ketobutyric acid C4H7NO3 117.042594 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00532 Acetylglycine C4H7NO3 117.042595 NA HMDB2010 NA NA +HMDB06454 L-2-Amino-3-oxobutanoic acid C4H7NO3 117.042595 NA HMDB2010 NA NA +HMDB12249 L-Aspartate-semialdehyde C4H7NO3 117.042595 NA HMDB2010 NA NA +EUR011 2-amino-3-ketobutyric acid C4H7NO3 117.0426 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR011 2-amino-3-ketobutyric acid C4H7NO3 117.0426 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR011 2-amino-3-ketobutyric acid C4H7NO3 117.0426 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR011 2-amino-3-ketobutyric acid C4H7NO3 117.0426 Wishlist Inhousejuil11 NA NA +C00441 L-Aspartate 4-semialdehyde C4H7NO3 117.0426 NA KEGG NA NA +C00444 5'-Phosphooligoribonucleotide C10H19O16P3R2 117.0426 NA KEGG NA NA +C03214 2-Amino-3-oxobutanoate C4H7NO3 117.0426 NA KEGG NA NA +C03508 L-2-Amino-3-oxobutanoic acid C4H7NO3 117.0426 NA KEGG NA NA +HMDB00532 Acetylglycine C4H7NO3 117.0426 Aromatic/Heterocyclic glycine conjugates ;SYN:4-Aminohippurate; Aminohippurate; Aminohippuric acid; Chlorphentermine; N-(4-Aminobenzoyl)glycine; N-(p-Aminobenzoyl)aminoacetate; N-(p-Aminobenzoyl)aminoacetic acid; N-(p-Aminobenzoyl)glycine; N-(para-aminobenzoyl)glycine; Nefrotest; PAH; Paha; p-Aminohippurate; p-Aminohippuric acid; para-Aminohippurate; para-Aminohippuric acid; paraaminohippuric acidH2Blood; Urine Inhouse_peptide NA peptide +CJpos0151 Guanidoacetic acid (and isomer) [(M+H)]+ C3H8N3O2 117.053275 C18rt(min)=0.9 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0151 Guanidoacetic acid (and isomer) [(M+H)]+ C3H8N3O2 117.053275 C18rt(min)=0.9 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +C00581 Guanidinoacetate C3H7N3O2 117.0538 NA KEGG NA NA +LABER026 Guanidinoacetic NA 117.053825 RT 2.10; 2.48 fragt PFEM_hmdb_metabocards_urine NA urine +LABER026 Guanidinoacetic NA 117.053825 RT 2.10; 2.48 fragt BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER026 Guanidinoacetic NA 117.053825 RT 2.10; 2.48 fragt Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER026 Guanidinoacetic NA 117.053825 RT 2.10; 2.48 fragt banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER026 Guanidinoacetic NA 117.053825 RT 2.10; 2.48 fragt HMDB NA NA +HMDB00128 Guanidoacetic acid C3H7N3O2 117.053825 NA HMDB2010 NA NA +LABER026 Guanidinoacetic NA 117.053825 RT 2.10; 2.48 fragt Inhouse_PFEM NA NA +LABER026 Guanidinoacetic NA 117.053825 RT 2.10; 2.48 fragt Inhousejuil11 NA NA +LABER026 Guanidinoacetic NA 117.053825 RT 2.10; 2.48 fragt PFEM_hmdb_metabocards_blood NA blood +LABER026 Guanidinoacetic NA 117.053825 RT 2.10; 2.48 fragt PFEM_hmdb_metabocards_official NA NA +MJ000777 Guanidinoacetic acid C3H7N3O2 117.053826 NA MeJP NA NA +MJ000778 Guanidinoacetate C3H7N3O2 117.053826 NA MeJP NA NA +MetaCyc00455 guanidinoacetate [N-amidinoglycine;glycocyamine;guanidinoacetic acid;] C3H7N3O2 117.053826 352-97-6 metacyc NA NA +HMDB00128 Guanidoacetic acid C3H7N3O2 117.05383 http://www.hmdb.ca/metabolites/HMDB00128 PFEM_hmdb_metabocards_urine NA urine +HMDB00128 Guanidoacetic acid C3H7N3O2 117.05383 http://www.hmdb.ca/metabolites/HMDB00128 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00128 Guanidoacetic acid C3H7N3O2 117.05383 http://www.hmdb.ca/metabolites/HMDB00128 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00128 Guanidoacetic acid C3H7N3O2 117.05383 http://www.hmdb.ca/metabolites/HMDB00128 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00128 Guanidoacetic acid C3H7N3O2 117.05383 http://www.hmdb.ca/metabolites/HMDB00128 HMDB NA NA +HMDB00128 Guanidoacetic acid C3H7N3O2 117.05383 NA ;SYN:(2S)-2-amino-5-(carbamoylamino)pentanoic acid; (S)-2-Amino-5-ureidopentanoate; (S)-2-Amino-5-ureidopentanoic acid; (S)-2-amino-5-(aminocarbonyl)aminopentanoic acid; 2-Amino-5-uredovalerate; 2-Amino-5-uredovaleric acid; 2-Amino-5-ureidovalerate; 2-Amino-5-ureidovaleric acid; A-amino-d-ureidovalerate; A-amino-d-ureidovaleric acid; Alpha-amino-delta-ureidovalerate; Alpha-amino-delta-ureidovaleric acid; Alpha-amino-gamma-ureidovalerate; Alpha-amino-gamma-ureidovaleric acid; Amino-ureidovalerate; Amino-ureidovaleric acid; CIR; CIT; Cytrulline; D-ureidonorvaline; DL-citrulline; Delta-ureidonorvaline; Gammaureidonorvaline; H-cit-oh; L(+)-2-Amino-5-ureidovalerate; L(+)-2-Amino-5-ureidovaleric acid; L(+)-citrulline; L-2-Amino-5-ureido-valerate; L-2-Amino-5-ureido-valeric acid; L-2-Amino-5-ureidovalerate; L-2-Amino-5-ureidovaleric acid; L-N5-carbamoyl-Ornithine; L-citrulline; L-cytrulline; N()-carbamylornithine; N(5)-(aminocarbonyl)-DL-Ornithine; N(delta)-carbamylornithine; N-carbamylornithine; N5-(Aminocarbonyl)-L-ornithine; N5-(Aminocarbonyl)ornithine; N5-(aminocarbonyl)-Ornithine; N5-Carbamoyl-L-ornithine; N5-carbamoylornithine; N5-carbamylornithine; N<SUP>5</SUP>-(aminocarbonyl)ornithine; ND-carbamylornithine; Ndelta-carbamy-ornithine; Ndelta-carbamylornithine; Ngamma-carbamylornithine; Sitrulline; Ureidonorvaline; Ureidovalerate; Ureidovaleric acid; (2S)-2-amino-5-(carbamoylamino)pentanoate; (S)-2-amino-5-(aminocarbonyl)aminopentanoateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00128 Guanidoacetic acid C3H7N3O2 117.05383 http://www.hmdb.ca/metabolites/HMDB00128 PFEM_hmdb_metabocards_blood NA blood +HMDB00128 Guanidoacetic acid C3H7N3O2 117.05383 HMDB00128 PFEM_hmdb_metabocards_official NA NA +CJneg0045 Guanidoacetic acid (and isomer) [(M-H)]- C3H6N3O2 117.054425 C18rt(min)=0.9 Neg identified a,b,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0045 Guanidoacetic acid (and isomer) [(M-H)]- C3H6N3O2 117.054425 C18rt(min)=0.9 Neg identified a,b,c base_CJunot_PubAnalChem2012_NEG negative NA +C00463 Indole C8H7N 117.0578 NA KEGG NA NA +C00464 Mannan C8H7N 117.0578 NA KEGG NA NA +C16074 Phenylacetonitrile C8H7N 117.0578 NA KEGG NA NA +HMDB00738 Indole C8H7N 117.057846 NA HMDB2010 NA NA +MJ000779 Indole C8H7N 117.057849 NA MeJP NA NA +MJ000780 Phenylacetic acid; Nitrile C8H7N 117.057849 NA MeJP NA NA +MetaCyc00456 phenylacetonitrile [] C8H7N1 117.057849 NA metacyc NA NA +MetaCyc00457 indole [] C8H7N1 117.057849 120-72-9 metacyc NA NA +HMDB00738 Indole C8H7N 117.05785 http://www.hmdb.ca/metabolites/HMDB00738 HMDB NA NA +HMDB00738 Indole C8H7N 117.05785 HMDB00738 PFEM_hmdb_metabocards_official NA NA +JH004 Betaine C5H11NO2 117.0781 Rtobs1.46 PFEM_hmdb_metabocards_urine NA urine +JH004 Betaine [M+H]+ C5H11NO2 117.0781 1.46 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH004 Betaine C5H11NO2 117.0781 Rtobs1.46 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH004 Betaine [M+H]+ C5H11NO2 117.0781 1.46 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH004 Betaine C5H11NO2 117.0781 Rtobs1.46 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH004 Betaine [M+H]+ C5H11NO2 117.0781 1.46 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH004 Betaine C5H11NO2 117.0781 Rtobs1.46 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH004 Betaine C5H11NO2 117.0781 Rtobs1.46 HMDB NA NA +JH004 Betaine C5H11NO2 117.0781 Rtobs1.46 Inhouse_PFEM NA NA +JH004 Betaine [M+H]+ C5H11NO2 117.0781 1.46 Inhousejuil11 NA NA +JH004 Betaine C5H11NO2 117.0781 Rtobs1.46 PFEM_hmdb_metabocards_blood NA blood +JH004 Betaine C5H11NO2 117.0781 Rtobs1.46 PFEM_hmdb_metabocards_official NA NA +CJpos0152 Valine Betaine [M+H]+ C5H12O2N 117.078475 C18rt(min)=1.03 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0152 Valine § Betaine [M+H]+ C5H12O2N 117.078475 C18rt(min)=1.03 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +EUR272 Valine F1 C5H11NO2 117.078675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR272 Valine F1 NA 117.078675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR272 Valine F1 C5H11NO2 117.078675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR272 Valine F1 NA 117.078675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR272 Valine F1 C5H11NO2 117.078675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR272 Valine F1 NA 117.078675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR272 Valine F1 C5H11NO2 117.078675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR272 Valine F1 C5H11NO2 117.078675 standards wishlist analysés sur QTOF HMDB NA NA +EUR272 Valine F1 C5H11NO2 117.078675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR272 Valine F1 NA 117.078675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR272 Valine F1 C5H11NO2 117.078675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR272 Valine F1 C5H11NO2 117.078675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ000781 5-Aminopentanoate C5H11NO2 117.078978 NA MeJP NA NA +MJ000782 Betaine C5H11NO2 117.078978 NA MeJP NA NA +MJ000783 L-Valine C5H11NO2 117.078978 NA MeJP NA NA +MJ000784 2-Amino-2-methylbutanoic acid C5H11NO2 117.078978 NA MeJP NA NA +MJ000785 3-Hydroxy-2-(hydroxymethyl)pyrrolidine C5H11NO2 117.078978 NA MeJP NA NA +MJ000786 3-Methylbutyl nitrite C5H11NO2 117.078978 NA MeJP NA NA +MJ000787 Betaine C5H11NO2 117.078978 NA MeJP NA NA +MJ000788 Ethyl N-ethylcarbamate C5H11NO2 117.078978 NA MeJP NA NA +MJ000789 Valine C5H11NO2 117.078978 NA MeJP NA NA +LABER021 betaine NA 117.078979 RT 2.17-2.48 PFEM_hmdb_metabocards_urine NA urine +LABER021 betaine NA 117.078979 RT 2.17-2.48 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER021 betaine NA 117.078979 RT 2.17-2.48 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER021 betaine NA 117.078979 RT 2.17-2.48 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER021 betaine NA 117.078979 RT 2.17-2.48 HMDB NA NA +HMDB00043 Betaine C5H11NO2 117.078979 NA HMDB2010 NA NA +HMDB00883 L-Valine C5H11NO2 117.078979 NA HMDB2010 NA NA +HMDB01382 Vaporole C5H11NO2 117.078979 NA HMDB2010 NA NA +HMDB02141 N-Methyl-a-aminoisobutyric acid C5H11NO2 117.078979 NA HMDB2010 NA NA +HMDB03355 5-Aminopentanoic acid C5H11NO2 117.078979 NA HMDB2010 NA NA +LABER021 betaine NA 117.078979 RT 2.17-2.48 Inhouse_PFEM NA NA +LABER021 betaine NA 117.078979 RT 2.17-2.48 Inhousejuil11 NA NA +MetaCyc00458 L-2-aminopentanoate [L-2-aminopentanoic acid;L-(+)-2-aminovaleric acid;L-norvaline;norvaline;] C5H11N1O2 117.078979 6600-40-4 metacyc NA NA +MetaCyc00459 4-methylaminobutyrate [] C5H11N1O2 117.078979 NA metacyc NA NA +MetaCyc00460 glycine betaine [oxyneurine;lycine;acidin-pepsin;betaine;trimethylammonioacetate;N,N,N-trimethylglycine;] C5H11N1O2 117.078979 107-43-7 metacyc NA NA +MetaCyc00461 5-aminopentanoate [5-aminovalerate;δ-aminovalerate;] C5H11N1O2 117.078979 660-88-8 metacyc NA NA +MetaCyc00462 L-valine [V;val;valine;] C5H11N1O2 117.078979 72-18-4 metacyc NA NA +MetaCyc00463 D-valine [2-amino-3-methylbutanoic acid(D);D-2-amino-3-methylbutyric acid;D-2-amino-3-methylbutanoic acid;(R)-valine;] C5H11N1O2 117.078979 640-68-6 metacyc NA NA +MetaCyc00464 N,N-dimethyl-β-alanine [] C5H11N1O2 117.078979 NA metacyc NA NA +LABER021 betaine NA 117.078979 RT 2.17-2.48 PFEM_hmdb_metabocards_blood NA blood +LABER021 betaine NA 117.078979 RT 2.17-2.48 PFEM_hmdb_metabocards_official NA NA +HMDB00043 Betaine C5H11NO2 117.07898 http://www.hmdb.ca/metabolites/HMDB00043 PFEM_hmdb_metabocards_urine NA urine +HMDB00883 L-Valine C5H11NO2 117.07898 http://www.hmdb.ca/metabolites/HMDB00883 PFEM_hmdb_metabocards_urine NA urine +HMDB00043 Betaine C5H11NO2 117.07898 http://www.hmdb.ca/metabolites/HMDB00043 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00883 L-Valine C5H11NO2 117.07898 http://www.hmdb.ca/metabolites/HMDB00883 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00043 Betaine C5H11NO2 117.07898 http://www.hmdb.ca/metabolites/HMDB00043 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00883 L-Valine C5H11NO2 117.07898 http://www.hmdb.ca/metabolites/HMDB00883 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00043 Betaine C5H11NO2 117.07898 http://www.hmdb.ca/metabolites/HMDB00043 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00883 L-Valine C5H11NO2 117.07898 http://www.hmdb.ca/metabolites/HMDB00883 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00043 Betaine C5H11NO2 117.07898 http://www.hmdb.ca/metabolites/HMDB00043 HMDB NA NA +HMDB00883 L-Valine C5H11NO2 117.07898 http://www.hmdb.ca/metabolites/HMDB00883 HMDB NA NA +HMDB01382 Vaporole C5H11NO2 117.07898 http://www.hmdb.ca/metabolites/HMDB01382 HMDB NA NA +HMDB02141 N-Methyl-a-aminoisobutyric acid C5H11NO2 117.07898 http://www.hmdb.ca/metabolites/HMDB02141 HMDB NA NA +HMDB03355 5-Aminopentanoic acid C5H11NO2 117.07898 http://www.hmdb.ca/metabolites/HMDB03355 HMDB NA NA +HMDB00043 Betaine C5H11NO2 117.07898 Short chain acyl carnitines ;SYN:(+/-)-Propionylcarnitine chloride; (3-carboxy-2-hydroxypropyl)trimethyl-hydroxide Ammonium inner salt; 3-Carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-1-propanaminium inner salt; L-Propionylcarnitine; O-Propanoylcarnitine; O-Propionylcarnitine; Propionyl carnitine; propionyl-carnitine;Propionyl-l-carnitineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00883 L-Valine C5H11NO2 117.07898 NA ;SYN:( -)-3-Amino-2-thiolanon; ( -)-3-Aminotetrahydro-2-thiophenon; (+-)-3-Aminodihydro-2(3H)-thiophenone; 3-Aminodihydro-2(3H)-thiophenone; DL-3-Aminotetrahydro-2-thiophenone; DL-Homocysteine thiolactone; L-Homocysteine thiolactoneH2Blood Inhouse_peptide NA peptide +HMDB00043 Betaine C5H11NO2 117.07898 http://www.hmdb.ca/metabolites/HMDB00043 PFEM_hmdb_metabocards_blood NA blood +HMDB00883 L-Valine C5H11NO2 117.07898 http://www.hmdb.ca/metabolites/HMDB00883 PFEM_hmdb_metabocards_blood NA blood +HMDB00043 Betaine C5H11NO2 117.07898 HMDB00043 PFEM_hmdb_metabocards_official NA NA +HMDB00883 L-Valine C5H11NO2 117.07898 HMDB00883 PFEM_hmdb_metabocards_official NA NA +HMDB01382 Vaporole C5H11NO2 117.07898 HMDB01382 PFEM_hmdb_metabocards_official NA NA +HMDB02141 N-Methyl-a-aminoisobutyric acid C5H11NO2 117.07898 HMDB02141 PFEM_hmdb_metabocards_official NA NA +HMDB03355 5-Aminopentanoic acid C5H11NO2 117.07898 HMDB03355 PFEM_hmdb_metabocards_official NA NA +LABER017 Valine C5H11NO2 117.079 RT 2.73 fragt 118, 55, 72 PFEM_hmdb_metabocards_urine NA urine +EUR039 Valine C5H11NO2 117.079 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER017 Valine C5H11NO2 117.079 RT 2.73 fragt 118, 55, 72 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR039 Valine C5H11NO2 117.079 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER017 Valine C5H11NO2 117.079 RT 2.73 fragt 118, 55, 72 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR039 Valine C5H11NO2 117.079 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER017 Valine C5H11NO2 117.079 RT 2.73 fragt 118, 55, 72 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER017 Valine C5H11NO2 117.079 RT 2.73 fragt 118, 55, 72 HMDB NA NA +LABER017 Valine C5H11NO2 117.079 RT 2.73 fragt 118, 55, 72 Inhouse_PFEM NA NA +EUR039 Valine C5H11NO2 117.079 Wishlist Inhousejuil11 NA NA +LABER017 Valine C5H11NO2 117.079 RT 2.73 fragt 118, 55, 72 Inhousejuil11 NA NA +C00183 L-Valine C5H11NO2 117.079 NA KEGG NA NA +C00431 5-Aminopentanoate C5H11NO2 117.079 NA KEGG NA NA +C00719 Betaine C5H11NO2 117.079 NA KEGG NA NA +C00720 RBr BrR 117.079 NA KEGG NA NA +C00721 Dextrin BrR 117.079 NA KEGG NA NA +C00722 Epoxide C2H2OR2 117.079 NA KEGG NA NA +C00723 Insulin C2H2OR2 117.079 NA KEGG NA NA +C01799 D-Norvaline C5H11NO2 117.079 NA KEGG NA NA +C01826 L-Norvaline C5H11NO2 117.079 NA KEGG NA NA +C03571 2-Amino-2-methylbutanoate C5H11NO2 117.079 NA KEGG NA NA +C06417 D-Valine C5H11NO2 117.079 NA KEGG NA NA +C07457 Amyl nitrite C5H11NO2 117.079 NA KEGG NA NA +C15987 4-Methylaminobutyrate C5H11NO2 117.079 NA KEGG NA NA +C16436 Valine C5H11NO2 117.079 NA KEGG NA NA +LABER017 Valine C5H11NO2 117.079 RT 2.73 fragt 118, 55, 72 PFEM_hmdb_metabocards_blood NA blood +LABER017 Valine C5H11NO2 117.079 RT 2.73 fragt 118, 55, 72 PFEM_hmdb_metabocards_official NA NA +PJ000005 V C5H11NO2 117.079 NA PeJP NA NA +EUR550 betaine [M+H]+ 117.079175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR550 betaine [M+H]+ 117.079175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR550 betaine [M+H]+ 117.079175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR550 betaine [M+H]+ 117.079175 identifies dans serum NuGO Inhousejuil11 NA NA +MJ000790 Boranecarboxylic acid trimethylamine complex C4H12BNO2 117.096109 NA MeJP NA NA +MJ000791 1-Amino-2-methyl-2-propanol; N,N-Di-Me C6H15NO 117.115364 NA MeJP NA NA +MJ000792 1-Hydroxy-N,N,N-trimethyl-2-propanaminium(1+) C6H16NO(+) 117.115364 NA MeJP NA NA +MJ000793 2-Hydroxy-N,N,N-trimethyl-1-propanaminium(1+) C6H16NO(+) 117.115364 NA MeJP NA NA +C13198 Potassium bromide Br 117.882 NA KEGG NA NA +MJ000794 Potassium bromide (KBr) BrK 117.882044 NA MeJP NA NA +MJ000795 Chloroform CHCl3 117.914383 NA MeJP NA NA +MetaCyc00465 chloroform [CF;methyl trichloride;formyl trichloride;methane trichloride;methenyl trichloride;trichloroform;trichloromethane;CHCl3;] C1H1CL3 117.914383 67-66-3 metacyc NA NA +C13827 Chloroform CHCl3 117.9144 NA KEGG NA NA +C00830 Oxomalonate C3H2O5 117.9902 NA KEGG NA NA +MJ000796 Oxopropanedioic acid C3H2O5 117.990223 NA MeJP NA NA +MetaCyc00466 oxomalonate [oxomalonic acid;ketomalonic acid;mesoxalic acid;] C3H2O5 117.990223 473-90-5 metacyc NA NA +MetaCyc00467 2-hydroxymalonate [tartronate;] C3H2O5 117.990223 NA metacyc NA NA +MJ000797 3-(Methylthio)-2-propenoic acid C4H6O2S 118.00885 NA MeJP NA NA +MetaCyc00468 3-aci-nitropropanoate [3-aci-nitoropropionic acid;] C3H4N1O4 118.014033 NA metacyc NA NA +C11119 N-Nitroso-1,3-thiazolidine C3H6N2OS 118.0201 NA KEGG NA NA +EUR196 Methylmalonic acid C4H6O4 118.0266 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR605 Methylmalonic acid [M-H]- 118.0266 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR196 Methylmalonic acid C4H6O4 118.0266 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR605 Methylmalonic acid [M-H]- 118.0266 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR196 Methylmalonic acid C4H6O4 118.0266 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR605 Methylmalonic acid [M-H]- 118.0266 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR196 Methylmalonic acid C4H6O4 118.0266 Wishlist Inhousejuil11 NA NA +EUR605 Methylmalonic acid [M-H]- 118.0266 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00042 Succinate C4H6O4 118.0266 NA KEGG NA NA +C02170 Methylmalonate C4H6O4 118.0266 NA KEGG NA NA +C02171 Mononucleotide C5H10O7PR 118.0266 NA KEGG NA NA +C10900 Methyl oxalate C4H6O4 118.0266 NA KEGG NA NA +MJ000798 2,3,4-Trihydroxybutanoic acid, 1,4-Lactone C4H6O4 118.026608 NA MeJP NA NA +MJ000799 3-Hydroxy-2-oxobutanoic acid C4H6O4 118.026608 NA MeJP NA NA +MJ000800 4-Hydroxy-2-oxobutanoic acid C4H6O4 118.026608 NA MeJP NA NA +MJ000801 Succinic acid C4H6O4 118.026608 NA MeJP NA NA +MJ000802 Methylmalonate C4H6O4 118.026608 NA MeJP NA NA +MJ000803 Succinate C4H6O4 118.026608 NA MeJP NA NA +MetaCyc00469 D,L-malic semialdehyde [] C4H6O4 118.026609 NA metacyc NA NA +MetaCyc00470 methylmalonate [Methylmalonic acid;] C4H6O4 118.026609 516-05-2 metacyc NA NA +MetaCyc00471 succinate [succinic acid;suc;succ;butanedioic acid;ethylenesuccinic acid;] C4H6O4 118.026609 110-15-6 metacyc NA NA +HMDB00202 Methylmalonic acid C4H6O4 118.02661 http://www.hmdb.ca/metabolites/HMDB00202 PFEM_hmdb_metabocards_urine NA urine +HMDB00254 Succinic acid C4H6O4 118.02661 http://www.hmdb.ca/metabolites/HMDB00254 PFEM_hmdb_metabocards_urine NA urine +EUR196 Methylmalonic acid C4H6O4 118.02661 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR605 Methylmalonic acid C4H6O4 118.02661 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +HMDB00202 Methylmalonic acid C4H6O4 118.02661 http://www.hmdb.ca/metabolites/HMDB00202 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00254 Succinic acid C4H6O4 118.02661 http://www.hmdb.ca/metabolites/HMDB00254 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR196 Methylmalonic acid C4H6O4 118.02661 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR605 Methylmalonic acid C4H6O4 118.02661 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00202 Methylmalonic acid C4H6O4 118.02661 http://www.hmdb.ca/metabolites/HMDB00202 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00254 Succinic acid C4H6O4 118.02661 http://www.hmdb.ca/metabolites/HMDB00254 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR196 Methylmalonic acid C4H6O4 118.02661 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR605 Methylmalonic acid C4H6O4 118.02661 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00202 Methylmalonic acid C4H6O4 118.02661 http://www.hmdb.ca/metabolites/HMDB00202 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00254 Succinic acid C4H6O4 118.02661 http://www.hmdb.ca/metabolites/HMDB00254 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR196 Methylmalonic acid C4H6O4 118.02661 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR605 Methylmalonic acid C4H6O4 118.02661 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00202 Methylmalonic acid C4H6O4 118.02661 http://www.hmdb.ca/metabolites/HMDB00202 HMDB NA NA +HMDB00254 Succinic acid C4H6O4 118.02661 http://www.hmdb.ca/metabolites/HMDB00254 HMDB NA NA +HMDB00349 Erythrono-1,4-lactone C4H6O4 118.02661 http://www.hmdb.ca/metabolites/HMDB00349 HMDB NA NA +EUR196 Methylmalonic acid C4H6O4 118.02661 Wishlist HMDB NA NA +EUR605 Methylmalonic acid C4H6O4 118.02661 identifiés dans standard mixture NuGO HMDB NA NA +EUR196 Methylmalonic acid C4H6O4 118.02661 Wishlist Inhouse_PFEM NA NA +EUR605 Methylmalonic acid C4H6O4 118.02661 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +EUR605 Methylmalonic acid C4H6O4 118.02661 119.03381 Inhouse_sept12 NA NA +HMDB00202 Methylmalonic acid C4H6O4 118.02661 http://www.hmdb.ca/metabolites/HMDB00202 PFEM_hmdb_metabocards_blood NA blood +HMDB00254 Succinic acid C4H6O4 118.02661 http://www.hmdb.ca/metabolites/HMDB00254 PFEM_hmdb_metabocards_blood NA blood +EUR196 Methylmalonic acid C4H6O4 118.02661 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR605 Methylmalonic acid C4H6O4 118.02661 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR196 Methylmalonic acid C4H6O4 118.02661 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR605 Methylmalonic acid C4H6O4 118.02661 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +HMDB00202 Methylmalonic acid C4H6O4 118.02661 HMDB00202 PFEM_hmdb_metabocards_official NA NA +HMDB00254 Succinic acid C4H6O4 118.02661 HMDB00254 PFEM_hmdb_metabocards_official NA NA +HMDB00349 Erythrono-1,4-lactone C4H6O4 118.02661 HMDB00349 PFEM_hmdb_metabocards_official NA NA +LABER029 Succinic NA 118.026611 NA PFEM_hmdb_metabocards_urine NA urine +LABER029 Succinic NA 118.026611 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER029 Succinic NA 118.026611 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER029 Succinic NA 118.026611 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER029 Succinic NA 118.026611 NA HMDB NA NA +HMDB00202 Methylmalonic acid C4H6O4 118.026611 NA HMDB2010 NA NA +HMDB00254 Succinic acid C4H6O4 118.026611 NA HMDB2010 NA NA +HMDB00349 Erythrono-1,4-lactone C4H6O4 118.026611 NA HMDB2010 NA NA +HMDB00940 Threonolactone C4H6O4 118.026611 NA HMDB2010 NA NA +LABER029 Succinic NA 118.026611 NA Inhouse_PFEM NA NA +LABER029 Succinic NA 118.026611 NA Inhousejuil11 NA NA +LABER029 Succinic NA 118.026611 NA PFEM_hmdb_metabocards_blood NA blood +LABER029 Succinic NA 118.026611 NA PFEM_hmdb_metabocards_official NA NA +CJneg0046 Methylmalonic acid [(M-H)]- C4H5O4 118.027125 C18rt(min)=2.33 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0047 Methylmalonic acid isomer [(M-H)]- C4H5O4 118.027125 C18rt(min)=1.71 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0048 Threonolactone [(M-H)]- C4H5O4 118.027125 C18rt(min)=1.96 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0046 Methylmalonic acid [(M-H)]- C4H5O4 118.027125 C18rt(min)=2.33 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0047 Methylmalonic acid isomer [(M-H)]- C4H5O4 118.027125 C18rt(min)=1.71 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0048 Threonolactone [(M-H)]- C4H5O4 118.027125 C18rt(min)=1.96 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +C10899 Allophanic acid, methyl ester C3H6N2O3 118.0378 NA KEGG NA NA +MJ000804 [(Methylamino)carbonyl]carbamic acid C3H6N2O3 118.037842 NA MeJP NA NA +MetaCyc00472 N-carbamoylglycine [N-carbamoyl glycine;carbamoyl glycine;] C3H6N2O3 118.037842 NA metacyc NA NA +EUR423 Tyrosine F6 F6 118.041275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR423 Tyrosine F6 NA 118.041275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR423 Tyrosine F6 F6 118.041275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR423 Tyrosine F6 NA 118.041275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR423 Tyrosine F6 F6 118.041275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJpos0153 4-methylhippuric acid (para-methylhippuric acid) [(M+H)-(C2H5NO2)]+ C8H7N0O 118.041275 C18rt(min)=6.62 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR423 Tyrosine F6 NA 118.041275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR423 Tyrosine F6 F6 118.041275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0153 4-methylhippuric acid (para-methylhippuric acid) [(M+H)-(C2H5NO2)]+ C8H7N0O 118.041275 C18rt(min)=6.62 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +EUR423 Tyrosine F6 F6 118.041275 standards wishlist analysés sur QTOF HMDB NA NA +EUR423 Tyrosine F6 F6 118.041275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR423 Tyrosine F6 NA 118.041275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR423 Tyrosine F6 F6 118.041275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR423 Tyrosine F6 F6 118.041275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +JH059 Coumaric acid (p-) [M+H-HCOOH]+ NA 118.04133 13.89 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH099 Caffeic acid [M+H-HCO2H-OH]+ NA 118.04133 12.21 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH059 Coumaric acid (p-) [M+H-HCOOH]+ NA 118.04133 13.89 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH099 Caffeic acid [M+H-HCO2H-OH]+ NA 118.04133 12.21 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH059 Coumaric acid (p-) [M+H-HCOOH]+ NA 118.04133 13.89 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH099 Caffeic acid [M+H-HCO2H-OH]+ NA 118.04133 12.21 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH059 Coumaric acid (p-) [M+H-HCOOH]+ NA 118.04133 13.89 Inhousejuil11 NA NA +JH099 Caffeic acid [M+H-HCO2H-OH]+ NA 118.04133 12.21 Inhousejuil11 NA NA +MJ000805 2,3-Octadiene-5,7-diyn-1-ol C8H6O 118.041864 NA MeJP NA NA +MJ000806 2,4,6-Octatriyn-1-ol C8H6O 118.041864 NA MeJP NA NA +MJ000807 3,5,7-Octatriyn-1-ol C8H6O 118.041864 NA MeJP NA NA +MJ000808 Benzofuran C8H6O 118.041864 NA MeJP NA NA +C14512 Benzofuran C8H6O 118.0419 NA KEGG NA NA +MJ000809 2-Methyl-1,3-oxathiane C5H10OS 118.045235 NA MeJP NA NA +MJ000810 Tetrahydro-2-methylthiophene-3-ol C5H10OS 118.045235 NA MeJP NA NA +3176 dipeptidyl-aminopeptidase IV inhibitor FA 118.0525 MH2+ Inhouse_peptide NA peptide +7583 ACE inhibitor AF 118.0525 MH2+ Inhouse_peptide NA peptide +MetaCyc00473 benzimidazole [] C7H6N2 118.053098 NA metacyc NA NA +C02009 Benzimidazole C7H6N2 118.0531 NA KEGG NA NA +CJpos0154 2-hydroxy-2-methylbutyric acid (2-hydroxyisovaleric acid) [(M+H)]+ C5H11O3 118.062475 C18rt(min)=4.58 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0155 3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M+H)]+ C5H11O3 118.062475 C18rt(min)=4.06 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0156 Mevalonic acid isomer [(M+H)-(CH2O)]+ C5H11O3 118.062475 C18rt(min)=4.55 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0154 2-hydroxy-2-methylbutyric acid (2-hydroxyisovaleric acid) [(M+H)]+ C5H11O3 118.062475 C18rt(min)=4.58 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0155 3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M+H)]+ C5H11O3 118.062475 C18rt(min)=4.06 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0156 Mevalonic acid isomer [(M+H)-(CH2O)]+ C5H11O3 118.062475 C18rt(min)=4.55 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +HMDB00354 2-Methyl-3-hydroxybutyric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00354 PFEM_hmdb_metabocards_urine NA urine +HMDB00396 2-Ethylhydracrylic acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00396 PFEM_hmdb_metabocards_urine NA urine +HMDB00754 3-Hydroxyisovaleric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00754 PFEM_hmdb_metabocards_urine NA urine +HMDB01863 2-Hydroxyvaleric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB01863 PFEM_hmdb_metabocards_urine NA urine +HMDB01987 2-Hydroxy-2-methylbutyric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB01987 PFEM_hmdb_metabocards_urine NA urine +HMDB00407 2-Hydroxy-3-methylbutyric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00407 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00754 3-Hydroxyisovaleric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00754 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00354 2-Methyl-3-hydroxybutyric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00354 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00396 2-Ethylhydracrylic acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00396 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00754 3-Hydroxyisovaleric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00754 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01863 2-Hydroxyvaleric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB01863 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01987 2-Hydroxy-2-methylbutyric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB01987 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00354 2-Methyl-3-hydroxybutyric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00354 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00396 2-Ethylhydracrylic acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00396 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00754 3-Hydroxyisovaleric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00754 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01863 2-Hydroxyvaleric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB01863 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01987 2-Hydroxy-2-methylbutyric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB01987 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00351 3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00351 HMDB NA NA +HMDB00354 2-Methyl-3-hydroxybutyric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00354 HMDB NA NA +HMDB00396 2-Ethylhydracrylic acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00396 HMDB NA NA +HMDB00407 2-Hydroxy-3-methylbutyric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00407 HMDB NA NA +HMDB00410 3-Hydroxy-2-methyl-[S-(R,R)]-butanoic acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00410 HMDB NA NA +HMDB00531 3-Hydroxyvaleric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00531 HMDB NA NA +HMDB00642 Erythronilic acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00642 HMDB NA NA +HMDB00754 3-Hydroxyisovaleric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00754 HMDB NA NA +HMDB01863 2-Hydroxyvaleric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB01863 HMDB NA NA +HMDB01987 2-Hydroxy-2-methylbutyric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB01987 HMDB NA NA +HMDB02011 4-Hydroxyisovaleric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB02011 HMDB NA NA +HMDB00407 2-Hydroxy-3-methylbutyric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00407 PFEM_hmdb_metabocards_blood NA blood +HMDB00754 3-Hydroxyisovaleric acid C5H10O3 118.06299 http://www.hmdb.ca/metabolites/HMDB00754 PFEM_hmdb_metabocards_blood NA blood +HMDB00351 3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid C5H10O3 118.06299 HMDB00351 PFEM_hmdb_metabocards_official NA NA +HMDB00354 2-Methyl-3-hydroxybutyric acid C5H10O3 118.06299 HMDB00354 PFEM_hmdb_metabocards_official NA NA +HMDB00396 2-Ethylhydracrylic acid C5H10O3 118.06299 HMDB00396 PFEM_hmdb_metabocards_official NA NA +HMDB00407 2-Hydroxy-3-methylbutyric acid C5H10O3 118.06299 HMDB00407 PFEM_hmdb_metabocards_official NA NA +HMDB00410 3-Hydroxy-2-methyl-[S-(R,R)]-butanoic acid C5H10O3 118.06299 HMDB00410 PFEM_hmdb_metabocards_official NA NA +HMDB00531 3-Hydroxyvaleric acid C5H10O3 118.06299 HMDB00531 PFEM_hmdb_metabocards_official NA NA +HMDB00642 Erythronilic acid C5H10O3 118.06299 HMDB00642 PFEM_hmdb_metabocards_official NA NA +HMDB00754 3-Hydroxyisovaleric acid C5H10O3 118.06299 HMDB00754 PFEM_hmdb_metabocards_official NA NA +HMDB01863 2-Hydroxyvaleric acid C5H10O3 118.06299 HMDB01863 PFEM_hmdb_metabocards_official NA NA +HMDB01987 2-Hydroxy-2-methylbutyric acid C5H10O3 118.06299 HMDB01987 PFEM_hmdb_metabocards_official NA NA +HMDB02011 4-Hydroxyisovaleric acid C5H10O3 118.06299 HMDB02011 PFEM_hmdb_metabocards_official NA NA +MJ000811 2-Hydroxy-3-methylbutanoic acid C5H10O3 118.062994 NA MeJP NA NA +MJ000812 3-Hydroxy-2-methylbutanoic acid C5H10O3 118.062994 NA MeJP NA NA +MJ000813 3-Hydroxypentanoic acid C5H10O3 118.062994 NA MeJP NA NA +MetaCyc00474 5-hydroxypentanoate [] C5H10O3 118.062994 NA metacyc NA NA +HMDB00351 3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid C5H10O3 118.062996 NA HMDB2010 NA NA +HMDB00354 2-Methyl-3-hydroxybutyric acid C5H10O3 118.062996 NA HMDB2010 NA NA +HMDB00396 2-Ethylhydracrylic acid C5H10O3 118.062996 NA HMDB2010 NA NA +HMDB00407 2-Hydroxy-3-methylbutyric acid C5H10O3 118.062996 NA HMDB2010 NA NA +HMDB00410 3-Hydroxy-2-methyl-[S-(R,R)]-butanoic acid C5H10O3 118.062996 NA HMDB2010 NA NA +HMDB00531 3-Hydroxyvaleric acid C5H10O3 118.062996 NA HMDB2010 NA NA +HMDB00642 Erythronilic acid C5H10O3 118.062996 NA HMDB2010 NA NA +HMDB00754 3-Hydroxyisovaleric acid C5H10O3 118.062996 NA HMDB2010 NA NA +HMDB01863 2-Hydroxyvaleric acid C5H10O3 118.062996 NA HMDB2010 NA NA +HMDB01987 2-Hydroxy-2-methylbutyric acid C5H10O3 118.062996 NA HMDB2010 NA NA +HMDB02011 4-Hydroxyisovaleric acid C5H10O3 118.062996 NA HMDB2010 NA NA +C02804 5-Hydroxypentanoate C5H10O3 118.063 NA KEGG NA NA +C02805 5-Oxoprolyl-peptide C7H9N2O4R 118.063 NA KEGG NA NA +CJneg0049 2-hydroxy-3-methylbutyric acid [(M-H)]- C5H9O3 118.063525 C18rt(min)=4.9 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0050 3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M-H)]- C5H9O3 118.063525 C18rt(min)=4.06 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0051 2-hydroxy-2-methylbutyric acid [(M-H)]- C5H9O3 118.063525 C18rt(min)=4.58 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0052 (2-methoxyethoxy)propanoic acid [(M-H)-(CH2O)]- C5H9O3 118.063525 C18rt(min)=4.95 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0049 2-hydroxy-3-methylbutyric acid [(M-H)]- C5H9O3 118.063525 C18rt(min)=4.9 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0050 3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M-H)]- C5H9O3 118.063525 C18rt(min)=4.06 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0051 2-hydroxy-2-methylbutyric acid [(M-H)]- C5H9O3 118.063525 C18rt(min)=4.58 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0052 (2-methoxyethoxy)propanoic acid [(M-H)-(CH2O)]- C5H9O3 118.063525 C18rt(min)=4.95 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +C03283 L-2,4-Diaminobutanoate C4H10N2O2 118.0742 NA KEGG NA NA +C08291 3-Methylamino-L-alanine C4H10N2O2 118.0742 NA KEGG NA NA +HMDB02362 2,4-Diaminobutyric acid C4H10N2O2 118.074226 NA HMDB2010 NA NA +HMDB06284 L-2,4-diaminobutyric acid C4H10N2O2 118.074226 NA HMDB2010 NA NA +MJ000814 2,3-Diaminobutanoic acid C4H10N2O2 118.074227 NA MeJP NA NA +MJ000815 2,4-Diaminobutanoic acid C4H10N2O2 118.074227 NA MeJP NA NA +MJ000816 L-2,4-Diaminobutanoate C4H10N2O2 118.074227 NA MeJP NA NA +MetaCyc00475 L-2,4-diaminobutanoate [diaminobutyrate;2,4-diamino-L-butyrate;L-2,4-diaminobutyrate;L-2,4-diaminobutyric acid;] C4H10N2O2 118.074228 1758-80-1 metacyc NA NA +HMDB02362 2,4-Diaminobutyric acid C4H10N2O2 118.07423 http://www.hmdb.ca/metabolites/HMDB02362 HMDB NA NA +HMDB03719 L-2,4 diaminobutyric acid C4H10N2O2 118.07423 http://www.hmdb.ca/metabolites/HMDB03719 HMDB NA NA +HMDB06284 L-2,4-diaminobutyric acid C4H10N2O2 118.07423 NA ;SYN:L-N(sup 2)-(Phenylacetyl)glutamine; N(2)-(phenylacetyl)-L-glutamine; Phenylacetyl-l-glutamine; Phenylacetylglutamine; alpha-N-Phenylacetyl-L-glutamineH2Blood; Urine Inhouse_peptide NA peptide +HMDB02362 2,4-Diaminobutyric acid C4H10N2O2 118.07423 HMDB02362 PFEM_hmdb_metabocards_official NA NA +HMDB03719 L-2,4 diaminobutyric acid C4H10N2O2 118.07423 HMDB03719 PFEM_hmdb_metabocards_official NA NA +C14395 alpha-Methylstyrene C9H10 118.0783 NA KEGG NA NA +CJpos0157 Valine Betaine [M+H]+ (13C) C4[13]CH12O2N 118.081775 C18rt(min)=1.03 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0157 Valine § Betaine [M+H]+ (13C) C4[13]CH12O2N 118.081775 C18rt(min)=1.03 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ000817 1,5-Hexanediol C6H14O2 118.099379 NA MeJP NA NA +MJ000818 2,3-Hexanediol C6H14O2 118.099379 NA MeJP NA NA +MJ000819 2-Methyl-2,4-pentanediol C6H14O2 118.099379 NA MeJP NA NA +MetaCyc00476 2-methylcholine [] C6H16N1O1 118.123189 NA metacyc NA NA +C02224 2-Methylcholine C6H16NO 118.1232 NA KEGG NA NA +HMDB01417 Permanganate MnO4 118.9177 http://www.hmdb.ca/metabolites/HMDB01417 HMDB NA NA +HMDB01417 Permanganate MnO4 118.9177 HMDB01417 PFEM_hmdb_metabocards_official NA NA +HMDB01417 Permanganate [MnO4]- 118.917702 NA HMDB2010 NA NA +MJ000820 2-Thiazolidinethione C3H5NS2 118.98634 NA MeJP NA NA +EUR212 Cysteine F2 F2 119.004075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR214 Cysteine F4 F4 119.004075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR212 Cysteine F2 NA 119.004075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR214 Cysteine F4 NA 119.004075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR212 Cysteine F2 F2 119.004075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR214 Cysteine F4 F4 119.004075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR212 Cysteine F2 NA 119.004075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR214 Cysteine F4 NA 119.004075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR212 Cysteine F2 F2 119.004075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR214 Cysteine F4 F4 119.004075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR212 Cysteine F2 NA 119.004075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR214 Cysteine F4 NA 119.004075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR212 Cysteine F2 F2 119.004075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR214 Cysteine F4 F4 119.004075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR212 Cystéine F2 F2 119.004075 standards wishlist analysés sur QTOF HMDB NA NA +EUR214 Cystéine F4 F4 119.004075 standards wishlist analysés sur QTOF HMDB NA NA +EUR212 Cysteine F2 F2 119.004075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR214 Cysteine F4 F4 119.004075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR212 Cysteine F2 NA 119.004075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR214 Cysteine F4 NA 119.004075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR212 Cysteine F2 F2 119.004075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR214 Cysteine F4 F4 119.004075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR212 Cysteine F2 F2 119.004075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR214 Cysteine F4 F4 119.004075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ000821 3-Nitropropanoic acid C3H5NO4 119.021857 NA MeJP NA NA +MJ000822 N-Formyl-N-hydroxyglycine C3H5NO4 119.021857 NA MeJP NA NA +MJ000823 beta-Nitropropanoate C3H5NO4 119.021857 NA MeJP NA NA +HMDB01147 Aminomalonic acid C3H5NO4 119.021858 NA HMDB2010 NA NA +MetaCyc00477 N-formyl-N-hydroxy-aminoacetate [N-formyl-N-hydroxyglycine;2-(formyl-hydroxy-amino)acetic acid;] C3H5N1O4 119.021858 NA metacyc NA NA +MetaCyc00478 aminomalonate [] C3H5N1O4 119.021858 NA metacyc NA NA +MetaCyc00479 3-nitropropanoate [3-nitropropionate;] C3H5N1O4 119.021858 504-88-1 metacyc NA NA +HMDB01147 Aminomalonic acid C3H5NO4 119.02186 http://www.hmdb.ca/metabolites/HMDB01147 HMDB NA NA +HMDB01147 Aminomalonic acid C3H5NO4 119.02186 HMDB01147 PFEM_hmdb_metabocards_official NA NA +C00872 Aminomalonate C3H5NO4 119.0219 NA KEGG NA NA +C03071 3-aci-Nitropropanoate C3H5NO4 119.0219 NA KEGG NA NA +C05669 beta-Nitropropanoate C3H5NO4 119.0219 NA KEGG NA NA +CJneg0053 Methylmalonic acid isomer [(M-H)]- (13C) C313CH5O4 119.030525 C18rt(min)=1.71 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0053 Methylmalonic acid isomer [(M-H)]- (13C) C313CH5O4 119.030525 C18rt(min)=1.71 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ000824 1,2-Hydrazinedicarboxylic acid; Monoamide C2H5N3O3 119.033091 NA MeJP NA NA +CJpos0158 4-Pyridoxic acid isomer [(M+H)-(H2O)-(HCOOH)]+ C7H6NO 119.036575 C18rt(min)=4.8 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0159 Pyridylacetylglycine [(M+H)-(C2H5NO2)]+ C7H6NO 119.036575 C18rt(min)=4.74 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0158 4-Pyridoxic acid isomer [(M+H)-(H2O)-(HCOOH)]+ C7H6NO 119.036575 C18rt(min)=4.8 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0159 Pyridylacetylglycine [(M+H)-(C2H5NO2)]+ C7H6NO 119.036575 C18rt(min)=4.74 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MetaCyc00480 S-acetylthioethanolamine [] C4H9N1O1S1 119.040485 NA metacyc NA NA +C03537 S-Acetylthioethanolamine C4H9NOS 119.0405 NA KEGG NA NA +2882 Immunostimulating peptide YG 119.042 MH2+ Inhouse_peptide NA peptide +3532 ACE inhibitor GY 119.042 MH2+ Inhouse_peptide NA peptide +3553 ACE inhibitor YG 119.042 MH2+ Inhouse_peptide NA peptide +EUR223 Threonin C4H9NO3 119.056275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR223 Threonine F1 NA 119.056275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR223 Threonin C4H9NO3 119.056275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR223 Threonine F1 NA 119.056275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR223 Threonin C4H9NO3 119.056275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR223 Threonine F1 NA 119.056275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR223 Threonin C4H9NO3 119.056275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR223 Threonin C4H9NO3 119.056275 standards wishlist analysés sur QTOF HMDB NA NA +EUR223 Threonin C4H9NO3 119.056275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR223 Threonine F1 NA 119.056275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR223 Threonin C4H9NO3 119.056275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR223 Threonin C4H9NO3 119.056275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PFEM054F1 L-Threonine F1 119.0566 NA Inhouse_original NA NA +CJpos0160 Threonine (and isomer) [M+H]+ C4H10O3N 119.057675 C18rt(min)=0.88 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0160 Threonine (and isomer) [M+H]+ C4H10O3N 119.057675 C18rt(min)=0.88 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +LABER001 Threonin C4H9NO3 119.0582 RT 1.99 fragt 120, 57, 56, 74, 102 PFEM_hmdb_metabocards_urine NA urine +EUR032 L-Threonine C4H9NO3 119.0582 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER001 Threonin C4H9NO3 119.0582 RT 1.99 fragt 120, 57, 56, 74, 102 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR032 L-Threonine C4H9NO3 119.0582 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER001 Threonin C4H9NO3 119.0582 RT 1.99 fragt 120, 57, 56, 74, 102 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR032 L-Threonine C4H9NO3 119.0582 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER001 Threonin C4H9NO3 119.0582 RT 1.99 fragt 120, 57, 56, 74, 102 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER001 Thréonin C4H9NO3 119.0582 RT 1.99 fragt 120, 57, 56, 74, 102 HMDB NA NA +LABER001 Threonin C4H9NO3 119.0582 RT 1.99 fragt 120, 57, 56, 74, 102 Inhouse_PFEM NA NA +EUR032 L-Threonine C4H9NO3 119.0582 Wishlist Inhousejuil11 NA NA +LABER001 Threonin C4H9NO3 119.0582 RT 1.99 fragt 120, 57, 56, 74, 102 Inhousejuil11 NA NA +C00188 L-Threonine C4H9NO3 119.0582 NA KEGG NA NA +C00263 L-Homoserine C4H9NO3 119.0582 NA KEGG NA NA +C00264 3-Oxoacyl-CoA C24H37N7O18P3SR 119.0582 NA KEGG NA NA +C00820 D-Threonine C4H9NO3 119.0582 NA KEGG NA NA +C00821 DNA adenine C10H14N5O6P 119.0582 NA KEGG NA NA +C02115 2-Methylserine C4H9NO3 119.0582 NA KEGG NA NA +C03678 4-Amino-3-hydroxybutanoate C4H9NO3 119.0582 NA KEGG NA NA +C05519 L-Allothreonine C4H9NO3 119.0582 NA KEGG NA NA +C11108 (-)-erythro-(2R,3R)-Dihydroxybutylamide C4H9NO3 119.0582 NA KEGG NA NA +C12317 D-Allothreonine C4H9NO3 119.0582 NA KEGG NA NA +PJ000006 T C4H9NO3 119.0582 NA PeJP NA NA +LABER001 Threonin C4H9NO3 119.0582 RT 1.99 fragt 120, 57, 56, 74, 102 PFEM_hmdb_metabocards_blood NA blood +LABER001 Threonin C4H9NO3 119.0582 RT 1.99 fragt 120, 57, 56, 74, 102 PFEM_hmdb_metabocards_official NA NA +HMDB00167 L-Threonine C4H9NO3 119.05824 http://www.hmdb.ca/metabolites/HMDB00167 PFEM_hmdb_metabocards_urine NA urine +HMDB00167 L-Threonine C4H9NO3 119.05824 http://www.hmdb.ca/metabolites/HMDB00167 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00719 L-Homoserine C4H9NO3 119.05824 http://www.hmdb.ca/metabolites/HMDB00719 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00167 L-Threonine C4H9NO3 119.05824 http://www.hmdb.ca/metabolites/HMDB00167 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00167 L-Threonine C4H9NO3 119.05824 http://www.hmdb.ca/metabolites/HMDB00167 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00167 L-Threonine C4H9NO3 119.05824 http://www.hmdb.ca/metabolites/HMDB00167 HMDB NA NA +HMDB00719 L-Homoserine C4H9NO3 119.05824 http://www.hmdb.ca/metabolites/HMDB00719 HMDB NA NA +HMDB04041 L-Allothreonine C4H9NO3 119.05824 http://www.hmdb.ca/metabolites/HMDB04041 HMDB NA NA +HMDB00167 L-Threonine C4H9NO3 119.05824 Polypeptides ;SYN:Des-Asp-1-Angiotensin IIH2Blood Inhouse_peptide NA peptide +HMDB00167 L-Threonine C4H9NO3 119.05824 http://www.hmdb.ca/metabolites/HMDB00167 PFEM_hmdb_metabocards_blood NA blood +HMDB00719 L-Homoserine C4H9NO3 119.05824 http://www.hmdb.ca/metabolites/HMDB00719 PFEM_hmdb_metabocards_blood NA blood +HMDB00167 L-Threonine C4H9NO3 119.05824 HMDB00167 PFEM_hmdb_metabocards_official NA NA +HMDB00719 L-Homoserine C4H9NO3 119.05824 HMDB00719 PFEM_hmdb_metabocards_official NA NA +HMDB04041 L-Allothreonine C4H9NO3 119.05824 HMDB04041 PFEM_hmdb_metabocards_official NA NA +LABER058 Homoserine NA 119.058243 RT 1.97 fragt 120, 44, 56, 74, 102 PFEM_hmdb_metabocards_urine NA urine +LABER058 Homoserine NA 119.058243 RT 1.97 fragt 120, 44, 56, 74, 102 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER058 Homoserine NA 119.058243 RT 1.97 fragt 120, 44, 56, 74, 102 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER058 Homoserine NA 119.058243 RT 1.97 fragt 120, 44, 56, 74, 102 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER058 Homoserine NA 119.058243 RT 1.97 fragt 120, 44, 56, 74, 102 HMDB NA NA +HMDB00167 L-Threonine C4H9NO3 119.058243 NA HMDB2010 NA NA +HMDB00719 L-Homoserine C4H9NO3 119.058243 NA HMDB2010 NA NA +HMDB04041 L-Allothreonine C4H9NO3 119.058243 NA HMDB2010 NA NA +LABER058 Homoserine NA 119.058243 RT 1.97 fragt 120, 44, 56, 74, 102 Inhouse_PFEM NA NA +LABER058 Homoserine NA 119.058243 RT 1.97 fragt 120, 44, 56, 74, 102 Inhousejuil11 NA NA +MJ000825 2-Amino-3-hydroxy-2-methylpropanoic acid C4H9NO3 119.058243 NA MeJP NA NA +MJ000826 2-Amino-3-hydroxybutanoic acid C4H9NO3 119.058243 NA MeJP NA NA +MJ000827 2-Amino-4-hydroxybutanoic acid C4H9NO3 119.058243 NA MeJP NA NA +MJ000828 3-Amino-4-hydroxybutanoic acid C4H9NO3 119.058243 NA MeJP NA NA +MJ000829 4-Amino-3-hydroxybutanoic acid C4H9NO3 119.058243 NA MeJP NA NA +MJ000830 N-(2-Hydroxyethyl)glycine C4H9NO3 119.058243 NA MeJP NA NA +MJ000831 Serine, N-Me C4H9NO3 119.058243 NA MeJP NA NA +MJ000832 L-Allothreonine C4H9NO3 119.058243 NA MeJP NA NA +MJ000833 L-Homoserine C4H9NO3 119.058243 NA MeJP NA NA +MJ000834 L-Threonine C4H9NO3 119.058243 NA MeJP NA NA +MetaCyc00481 L-allo-threonine [] C4H9N1O3 119.058243 28954-12-3 metacyc NA NA +MetaCyc00482 2-methylserine [] C4H9N1O3 119.058243 NA metacyc NA NA +MetaCyc00483 4-amino-3-hydroxybutanoate [4-amino-3-hydroxybutanoic acid;4-amino-3-hydroxobutanoate;] C4H9N1O3 119.058243 352-21-6 metacyc NA NA +MetaCyc00484 L-threonine [T;thr;thre;L-thr;threonine;2-amino-3-hydroxybutyric acid;] C4H9N1O3 119.058243 72-19-5 metacyc NA NA +MetaCyc00485 D-threonine [D-thr;2-amino-3-hydroxybutyric acid;] C4H9N1O3 119.058243 632-20-2 metacyc NA NA +MetaCyc00486 homoserine [homo-ser;L-homoserine;] C4H9N1O3 119.058243 672-15-1 metacyc NA NA +MetaCyc00487 ch3-serine [CH3-ser;1-CH3-serine;methylserine;1-methylserine;] C4H9N1O3 119.058243 NA metacyc NA NA +MetaCyc00488 allothreonine [DL-allothreonine;allo-thr;] C4H9N1O3 119.058243 2676-21-3 metacyc NA NA +LABER058 Homoserine NA 119.058243 RT 1.97 fragt 120, 44, 56, 74, 102 PFEM_hmdb_metabocards_blood NA blood +LABER058 Homoserine NA 119.058243 RT 1.97 fragt 120, 44, 56, 74, 102 PFEM_hmdb_metabocards_official NA NA +JH005 Threonine (DL) [M+H]+ C4H9NO3 119.0586 1.28 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH005 Threonine (DL) [M+H]+ C4H9NO3 119.0586 1.28 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH005 Threonine (DL) [M+H]+ C4H9NO3 119.0586 1.28 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH005 Threonine (DL) [M+H]+ C4H9NO3 119.0586 1.28 Inhousejuil11 NA NA +CJneg0054 Threonine (and isomer) [(M-H)]- C4H8O3N 119.058825 C18rt(min)=0.88 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0054 Threonine (and isomer) [(M-H)]- C4H8O3N 119.058825 C18rt(min)=0.88 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +JH062 Phenylalanine [M+H-HCOOH]+ NA 119.0628 1.66 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH062 Phenylalanine [M+H-HCOOH]+ NA 119.0628 1.66 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH062 Phenylalanine [M+H-HCOOH]+ NA 119.0628 1.66 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH062 Phenylalanine [M+H-HCOOH]+ NA 119.0628 1.66 Inhousejuil11 NA NA +CJneg0055 2-hydroxy-3-methylbutyric acid [(M-H)]- (13C) C413CH9O3 119.066925 C18rt(min)=4.9 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0056 3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M-H)]- (13C) C413CH9O3 119.066925 C18rt(min)=4.06 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0057 2-hydroxy-2-methylbutyric acid [(M-H)]- (13C) C413CH9O3 119.066925 C18rt(min)=4.58 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0055 2-hydroxy-3-methylbutyric acid [(M-H)]- (13C) C413CH9O3 119.066925 C18rt(min)=4.9 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0056 3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M-H)]- (13C) C413CH9O3 119.066925 C18rt(min)=4.06 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0057 2-hydroxy-2-methylbutyric acid [(M-H)]- (13C) C413CH9O3 119.066925 C18rt(min)=4.58 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +EUR340 Phenylalanine F4 F4 119.070475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR340 Phenylalanine F4 NA 119.070475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR340 Phenylalanine F4 F4 119.070475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR340 Phenylalanine F4 NA 119.070475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR340 Phenylalanine F4 F4 119.070475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR340 Phenylalanine F4 NA 119.070475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR340 Phenylalanine F4 F4 119.070475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR340 Phenylalanine F4 F4 119.070475 standards wishlist analysés sur QTOF HMDB NA NA +EUR340 Phenylalanine F4 F4 119.070475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR340 Phenylalanine F4 NA 119.070475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR340 Phenylalanine F4 F4 119.070475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR340 Phenylalanine F4 F4 119.070475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0161 Phenylalanine [(M+H)-(HCOOH)]+ C8H10N 119.072975 C18rt(min)=4.46 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0161 Phenylalanine [(M+H)-(HCOOH)]+ C8H10N 119.072975 C18rt(min)=4.46 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ000835 1-Amino-3-methyl-2,3-butanediol C5H13NO2 119.094628 NA MeJP NA NA +MJ000836 Tetramethylammonium(1+); Formate C5H13NO2 119.094628 NA MeJP NA NA +MJ000837 Rubidium chloride ClRb 119.880642 NA MeJP NA NA +MJ000838 Strontium peroxide (SrO2) O2Sr 119.895443 NA MeJP NA NA +HMDB01960 Tin Sn 119.90219 http://www.hmdb.ca/metabolites/HMDB01960 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01960 Tin Sn 119.90219 http://www.hmdb.ca/metabolites/HMDB01960 HMDB NA NA +HMDB01960 Tin Sn 119.90219 http://www.hmdb.ca/metabolites/HMDB01960 PFEM_hmdb_metabocards_blood NA blood +HMDB01960 Tin Sn 119.90219 HMDB01960 PFEM_hmdb_metabocards_official NA NA +HMDB01960 Tin [Sn]4+ 119.902191 NA HMDB2010 NA NA +MJ000839 Dichlorodifluoromethane CCl2F2 119.934511 NA MeJP NA NA +MJ000840 Magnesium sulfate MgO4S 119.936771 NA MeJP NA NA +MJ000841 Magnesium phosphate (Mg(HPO4)) HMgO4P 119.946286 NA MeJP NA NA +MJ000842 Sodium phosphate (Na(H2PO4)) H2NaO4P 119.958839 NA MeJP NA NA +C00957 Mercaptopyruvate C3H4O3S 119.9881 NA KEGG NA NA +C00958 Plasmenylcholine C11H21NO7PR2 119.9881 NA KEGG NA NA +HMDB01368 3-Mercaptopyruvic acid C3H4O3S 119.98811 http://www.hmdb.ca/metabolites/HMDB01368 HMDB NA NA +HMDB01368 3-Mercaptopyruvic acid C3H4O3S 119.98811 HMDB01368 PFEM_hmdb_metabocards_official NA NA +HMDB01368 3-Mercaptopyruvic acid C3H4O3S 119.988113 NA HMDB2010 NA NA +MJ000843 Mercaptopyruvate C3H4O3S 119.988114 NA MeJP NA NA +MetaCyc00489 3-mercaptopyruvate [mercaptopyruvate;3-mercaptopyruvic acid;β-thiopyruvate;β-mercaptopyruvate;] C3H4O3S1 119.988115 2464-23-5 metacyc NA NA +MJ000844 Aluminium monoacetate dihydroxide C2H5AlO4 120.000322 NA MeJP NA NA +MetaCyc00490 hydroxymalonate [] C3H4O5 120.005873 80-69-3 metacyc NA NA +C02287 Hydroxymalonate C3H4O5 120.0059 NA KEGG NA NA +C02288 Reduced insulin C3H4O5 120.0059 NA KEGG NA NA +C01871 1,4-Dithiane C4H8S2 120.0067 NA KEGG NA NA +C01872 1-Haloalkane CH2XR 120.0067 NA KEGG NA NA +C01873 2,5-Arabinan CH2XR 120.0067 NA KEGG NA NA +C08383 Methyl allyl disulfide C4H8S2 120.0067 NA KEGG NA NA +MJ000845 1,3-Dithiane C4H8S2 120.006741 NA MeJP NA NA +MJ000846 Ethyl vinyl disulfide C4H8S2 120.006741 NA MeJP NA NA +MJ000847 Methyl 1-propenyl disulfide C4H8S2 120.006741 NA MeJP NA NA +MJ000848 Methyl 2-propenyl disulfide C4H8S2 120.006741 NA MeJP NA NA +HMDB00192 L-Cystine C6H12N2O4S2 120.0119245 MH2+ Inhouse_peptide NA peptide +MJ000849 N-Nitroglycine C2H4N2O4 120.017106 NA MeJP NA NA +CJpos0162 m-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+ C7H5N0O2 120.020575 C18rt(min)=6 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0163 o-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+ C7H5N0O2 120.020575 C18rt(min)=6.4 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0164 p-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+ C7H5N0O2 120.020575 C18rt(min)=4.85 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0162 m-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+ C7H5N0O2 120.020575 C18rt(min)=6 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0163 o-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+ C7H5N0O2 120.020575 C18rt(min)=6.4 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0164 p-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+ C7H5N0O2 120.020575 C18rt(min)=4.85 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +JH036 Hydroxybenzoic acid (p-) [M+H-H20]+ NA 120.0206 11.43 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH036 Hydroxybenzoic acid (p-) [M+H-H20]+ NA 120.0206 11.43 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH036 Hydroxybenzoic acid (p-) [M+H-H20]+ NA 120.0206 11.43 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH036 Hydroxybenzoic acid (p-) [M+H-H20]+ NA 120.0206 11.43 Inhousejuil11 NA NA +EUR235 Sialic acid F9 F9 120.021875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR235 Acide sialique F9 NA 120.021875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR235 Sialic acid F9 F9 120.021875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR235 Acide sialique F9 NA 120.021875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR235 Sialic acid F9 F9 120.021875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR235 Acide sialique F9 NA 120.021875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR235 Sialic acid F9 F9 120.021875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR235 Sialic acid F9 F9 120.021875 standards wishlist analysés sur QTOF HMDB NA NA +EUR235 Sialic acid F9 F9 120.021875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR235 Acide sialique F9 NA 120.021875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR235 Sialic acid F9 F9 120.021875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR235 Sialic acid F9 F9 120.021875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB01527 3-Methylthiopropionic acid C4H8O2S 120.024498 NA HMDB2010 NA NA +HMDB01527 3-Methylthiopropionic acid C4H8O2S 120.0245 http://www.hmdb.ca/metabolites/HMDB01527 HMDB NA NA +C08276 3-(Methylthio)propionic acid C4H8O2S 120.0245 NA KEGG NA NA +MetaCyc00491 3-methylthiopropionate [3-methylthiopropionic acid;] C4H8O2S1 120.0245 NA metacyc NA NA +MetaCyc00492 sulfolane [2,3,4,5-tetrahydrothiophene-1,1-dioxide;1,1-dioxidetetrahydrothiofuran;1,1-dioxothiolan;1,1-dioxidetetrahydrothiophene;bondelane A;bondolane A;cyclic tetramethylene sulfone;cyclotetramethylene sulfone;dihydrobutadiene sulfone;dihydrobutadiene sulphone;dioxothiolan;sulfalone;sulfolan;sulpholane;tetramethylene sulfone;sulphoxaline;tetrahydrothiophene 1,1-dioxide;tetrahydrothiophene 1-dioxide;tetrahydrothiophene dioxide;thiacyclopentane dioxide;thiophene, tetrahydro-, 1,1-dioxide;] C4H8O2S1 120.0245 126-33-0 metacyc NA NA +MetaCyc00493 3-S-methylthiopropionate [3-methylthiopropionic acid;methyl-3-mercaptopropionate;methyl-β-mercaptopropionate;] C4H8O2S1 120.0245 NA metacyc NA NA +HMDB01527 3-Methylthiopropionic acid C4H8O2S 120.0245 HMDB01527 PFEM_hmdb_metabocards_official NA NA +CJpos0165 Aminonicotinic acid isomers [(M+H)-(H2O)]+ C6H5N2O 120.031775 C18rt(min)=1.06 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0165 Aminonicotinic acid isomers [(M+H)-(H2O)]+ C6H5N2O 120.031775 C18rt(min)=1.06 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ000850 4-Diazo-2,5-cyclohexadien-1-one C6H4N2O 120.032362 NA MeJP NA NA +MJ000851 N-Hydroxymethyl-N'-methylthiourea C3H8N2OS 120.035733 NA MeJP NA NA +CJpos0166 4-Pyridoxic acid isomer [(M+H)-(H2O)-(HCOOH)]+ (13C) C613CH6NO 120.039875 C18rt(min)=4.8 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0167 Pyridylacetylglycine [(M+H)-(C2H5NO2)]+ (13C) C613CH6NO 120.039875 C18rt(min)=4.74 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0166 4-Pyridoxic acid isomer [(M+H)-(H2O)-(HCOOH)]+ (13C) C613CH6NO 120.039875 C18rt(min)=4.8 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0167 Pyridylacetylglycine [(M+H)-(C2H5NO2)]+ (13C) C613CH6NO 120.039875 C18rt(min)=4.74 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ000852 Erythrose C4H8O4 120.042258 NA MeJP NA NA +HMDB00337 (S)-3,4-Dihydroxybutyric acid C4H8O4 120.042259 NA HMDB2010 NA NA +HMDB00360 2,4-Dihydroxybutanoic acid C4H8O4 120.042259 NA HMDB2010 NA NA +HMDB00498 4-Deoxyerythronic acid C4H8O4 120.042259 NA HMDB2010 NA NA +HMDB02453 4-Deoxythreonic acid C4H8O4 120.042259 NA HMDB2010 NA NA +HMDB02601 A,b-Dihydroxyisobutyric acid C4H8O4 120.042259 NA HMDB2010 NA NA +HMDB02649 Erythrose C4H8O4 120.042259 NA HMDB2010 NA NA +HMDB06293 L-Erythrulose C4H8O4 120.042259 NA HMDB2010 NA NA +MetaCyc00494 L-erythrulose [L-glycero-tetrulose;] C4H8O4 120.042259 40031-31-0 metacyc NA NA +MetaCyc00495 threose [] C4H8O4 120.042259 29884-64-8 metacyc NA NA +MetaCyc00496 D-erythrose [erythrose;] C4H8O4 120.042259 1758-51-6 metacyc NA NA +MetaCyc00497 D-erythrulose [] C4H8O4 120.042259 496-55-9 metacyc NA NA +HMDB00337 (S)-3,4-Dihydroxybutyric acid C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB00337 PFEM_hmdb_metabocards_urine NA urine +HMDB00360 2,4-dihydroxybutanoic acid C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB00360 PFEM_hmdb_metabocards_urine NA urine +HMDB00337 (S)-3,4-Dihydroxybutyric acid C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB00337 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00360 2,4-dihydroxybutanoic acid C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB00360 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00337 (S)-3,4-Dihydroxybutyric acid C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB00337 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00360 2,4-dihydroxybutanoic acid C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB00360 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00337 (S)-3,4-Dihydroxybutyric acid C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB00337 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00360 2,4-dihydroxybutanoic acid C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB00360 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00337 (S)-3,4-Dihydroxybutyric acid C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB00337 HMDB NA NA +HMDB00360 2,4-dihydroxybutanoic acid C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB00360 HMDB NA NA +HMDB00498 4-Deoxyerythronic acid C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB00498 HMDB NA NA +HMDB02453 4-Deoxythreonic acid C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB02453 HMDB NA NA +HMDB02601 a,b-dihydroxyisobutyric acid C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB02601 HMDB NA NA +HMDB02649 Erythrose C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB02649 HMDB NA NA +HMDB06293 L-Erythrulose C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB06293 HMDB NA NA +HMDB06860 Monoacylglycerol C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB06860 HMDB NA NA +HMDB00337 (S)-3,4-Dihydroxybutyric acid C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB00337 PFEM_hmdb_metabocards_blood NA blood +HMDB00360 2,4-dihydroxybutanoic acid C4H8O4 120.04226 http://www.hmdb.ca/metabolites/HMDB00360 PFEM_hmdb_metabocards_blood NA blood +HMDB00337 (S)-3,4-Dihydroxybutyric acid C4H8O4 120.04226 HMDB00337 PFEM_hmdb_metabocards_official NA NA +HMDB00360 2,4-dihydroxybutanoic acid C4H8O4 120.04226 HMDB00360 PFEM_hmdb_metabocards_official NA NA +HMDB00498 4-Deoxyerythronic acid C4H8O4 120.04226 HMDB00498 PFEM_hmdb_metabocards_official NA NA +HMDB02453 4-Deoxythreonic acid C4H8O4 120.04226 HMDB02453 PFEM_hmdb_metabocards_official NA NA +HMDB02601 a,b-dihydroxyisobutyric acid C4H8O4 120.04226 HMDB02601 PFEM_hmdb_metabocards_official NA NA +HMDB02649 Erythrose C4H8O4 120.04226 HMDB02649 PFEM_hmdb_metabocards_official NA NA +HMDB06293 L-Erythrulose C4H8O4 120.04226 HMDB06293 PFEM_hmdb_metabocards_official NA NA +HMDB06860 Monoacylglycerol C4H8O4 120.04226 HMDB06860 PFEM_hmdb_metabocards_official NA NA +C01796 D-Erythrose C4H8O4 120.0423 NA KEGG NA NA +C01798 D-Glucoside C6H11O6R 120.0423 NA KEGG NA NA +C02022 D-Erythrulose C4H8O4 120.0423 NA KEGG NA NA +C02023 D-Galactoside C6H11O6R 120.0423 NA KEGG NA NA +C02045 L-Erythrulose C4H8O4 120.0423 NA KEGG NA NA +C06463 D-Threose C4H8O4 120.0423 NA KEGG NA NA +CJneg0058 Pentose [(M-H)-(CH2O)]- C4H7O4 120.042825 C18rt(min)=0.95 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0059 Hexose [(M-H)-(C2H4O2)]- C4H7O4 120.042825 C18rt(min)=0.92 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0058 Pentose [(M-H)-(CH2O)]- C4H7O4 120.042825 C18rt(min)=0.95 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0059 Hexose [(M-H)-(C2H4O2)]- C4H7O4 120.042825 C18rt(min)=0.92 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +HMDB01366 Purine C5H4N4 120.043594 NA HMDB2010 NA NA +MetaCyc00498 purine [] C5H4N4 120.043596 120-73-0 metacyc NA NA +MetaCyc00499 purine-ring [] C5H4N4 120.043596 NA metacyc NA NA +HMDB01366 Purine C5H4N4 120.0436 http://www.hmdb.ca/metabolites/HMDB01366 HMDB NA NA +C15587 Purine C5H4N4 120.0436 NA KEGG NA NA +HMDB01366 Purine C5H4N4 120.0436 HMDB01366 PFEM_hmdb_metabocards_official NA NA +MJ000853 2-Amino-3-(aminooxy)propanoic acid C3H8N2O3 120.053492 NA MeJP NA NA +C00601 Phenylacetaldehyde C8H8O 120.0575 NA KEGG NA NA +C00602 beta-D-Galactoside C6H11O6R 120.0575 NA KEGG NA NA +C02083 Styrene oxide C8H8O 120.0575 NA KEGG NA NA +C05627 4-Hydroxystyrene C8H8O 120.0575 NA KEGG NA NA +C06758 p-Tolualdehyde C8H8O 120.0575 NA KEGG NA NA +C07113 Acetophenone C8H8O 120.0575 NA KEGG NA NA +C07209 3-Methylbenzaldehyde C8H8O 120.0575 NA KEGG NA NA +C07214 2-Methylbenzaldehyde C8H8O 120.0575 NA KEGG NA NA +HMDB04072 4-Hydroxystyrene C8H8O 120.05751 http://www.hmdb.ca/metabolites/HMDB04072 HMDB NA NA +HMDB06236 Phenylacetaldehyde C8H8O 120.05751 http://www.hmdb.ca/metabolites/HMDB06236 HMDB NA NA +HMDB04072 4-Hydroxystyrene C8H8O 120.05751 HMDB04072 PFEM_hmdb_metabocards_official NA NA +HMDB06236 Phenylacetaldehyde C8H8O 120.05751 HMDB06236 PFEM_hmdb_metabocards_official NA NA +MJ000854 4-Vinylphenol C8H8O 120.057514 NA MeJP NA NA +MJ000855 7-Octene-3,5-diyn-1-ol C8H8O 120.057514 NA MeJP NA NA +MJ000856 Acetophenone C8H8O 120.057514 NA MeJP NA NA +MJ000857 Phenylacetaldehyde C8H8O 120.057514 NA MeJP NA NA +MJ000858 2-Methylbenzaldehyde C8H8O 120.057514 NA MeJP NA NA +MJ000859 3-Methylbenzaldehyde C8H8O 120.057514 NA MeJP NA NA +MJ000860 4-Hydroxystyrene C8H8O 120.057514 NA MeJP NA NA +MJ000861 Acetophenone C8H8O 120.057514 NA MeJP NA NA +MJ000862 Phenylacetaldehyde C8H8O 120.057514 NA MeJP NA NA +MJ000863 Styrene oxide C8H8O 120.057514 NA MeJP NA NA +MJ000864 p-Tolualdehyde C8H8O 120.057514 NA MeJP NA NA +MetaCyc00500 phenylacetaldehyde [] C8H8O1 120.057515 122-78-1 metacyc NA NA +MetaCyc00501 styrene oxide [] C8H8O1 120.057515 96-09-3 metacyc NA NA +MetaCyc00502 4-vinylphenol [4-hydroxystyrene;] C8H8O1 120.057515 NA metacyc NA NA +MetaCyc00503 acetophenone [phenylmethylketone;methylphenylketone;] C8H8O1 120.057515 98-86-2 metacyc NA NA +HMDB04072 4-Hydroxystyrene C8H8O 120.057518 NA HMDB2010 NA NA +HMDB06236 Phenylacetaldehyde C8H8O 120.057518 NA HMDB2010 NA NA +MJ000865 2-Mercapto-3-methyl-1-butanol C5H12OS 120.060885 NA MeJP NA NA +HMDB00194 Anserine C10H16N4O3 120.061119 MH2+ Inhouse_peptide NA peptide +CJpos0168 Urea [(2M+H)]+ C2H9N4O2 120.064175 C18rt(min)=0.9 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0168 Urea [(2M+H)]+ C2H9N4O2 120.064175 C18rt(min)=0.9 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C01784 Benzamidine C7H8N2 120.0687 NA KEGG NA NA +CJpos0169 Phenylalanine [(M+H)-(HCOOH)]+ (13C) C7[13]CH10N 120.076275 C18rt(min)=4.46 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0169 Phenylalanine [(M+H)-(HCOOH)]+ (13C) C7[13]CH10N 120.076275 C18rt(min)=4.46 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +C14396 Cumene C9H12 120.0939 NA KEGG NA NA +C14508 Mesitylene C9H12 120.0939 NA KEGG NA NA +C14518 1,2,3-Trimethylbenzene C9H12 120.0939 NA KEGG NA NA +C14522 3-Ethyltoluene C9H12 120.0939 NA KEGG NA NA +C14533 1,2,4-Trimethylbenzene C9H12 120.0939 NA KEGG NA NA +C14572 2-Ethyltoluene C9H12 120.0939 NA KEGG NA NA +MJ000866 1,2,4-Tris(methylene)cyclohexane C9H12 120.0939 NA MeJP NA NA +MJ000867 3,5-Nonadiyne C9H12 120.0939 NA MeJP NA NA +MJ000868 Isopropylbenzene C9H12 120.0939 NA MeJP NA NA +MetaCyc00504 pseudocumene [psi-cumene;1,2,4-trimethylbenzene;1,2,5-trimethylbenzene;1,3,4-trimethylbenzene;asymmetrical trimethylbenzene;pseudocumol;as-trimethylbenzene;uns-trimethylbenzene;] C9H12 120.0939 NA metacyc NA NA +MetaCyc00505 betaine aldehyde hydrate [] C5H14N1O2 120.102454 NA metacyc NA NA +C07345 Betaine aldehyde hydrate C5H14NO2 120.1025 NA KEGG NA NA +HMDB04118 Antimony [Sb]3+ 120.903809 NA HMDB2010 NA NA +MetaCyc00506 xanthate [] C3H5O1S2 120.978181 NA metacyc NA NA +MJ000869 3-Mercaptolactate C3H5O3S 120.995939 NA MeJP NA NA +MJ000870 Dihydro-4H-1,3,5-dithiazine C3H7NS2 121.00199 NA MeJP NA NA +PFEM031F1 cysteine F1 121.0133 NA Inhouse_original NA NA +CJpos0170 Aminonicotinic acid isomers [(M+H)-(NH3)]+ C6H4NO2 121.015875 C18rt(min)=1.06 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0170 Aminonicotinic acid isomers [(M+H)-(NH3)]+ C6H4NO2 121.015875 C18rt(min)=1.06 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +EUR211 Cysteine F1 C3H7NO2S 121.018375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR211 Cysteine F1 NA 121.018375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR211 Cysteine F1 C3H7NO2S 121.018375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR211 Cysteine F1 NA 121.018375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR211 Cysteine F1 C3H7NO2S 121.018375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR211 Cysteine F1 NA 121.018375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR211 Cysteine F1 C3H7NO2S 121.018375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR211 Cysteine F1 C3H7NO2S 121.018375 standards wishlist analysés sur QTOF HMDB NA NA +EUR211 Cysteine F1 C3H7NO2S 121.018375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR211 Cysteine F1 NA 121.018375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR211 Cysteine F1 C3H7NO2S 121.018375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR211 Cysteine F1 C3H7NO2S 121.018375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +JH006 Cysteine (L-) [M+H]+ C3H7NO2S 121.0195 1.27 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH006 Cysteine (L-) [M+H]+ C3H7NO2S 121.0195 1.27 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH006 Cysteine (L-) [M+H]+ C3H7NO2S 121.0195 1.27 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH006 Cysteine (L-) [M+H]+ C3H7NO2S 121.0195 1.27 Inhousejuil11 NA NA +LABER011 Cysteine C3H7NO2S 121.0197 RT 2.11 fragt 122, 59, 76, 87 PFEM_hmdb_metabocards_urine NA urine +LABER011 Cysteine C3H7NO2S 121.0197 RT 2.11 fragt 122, 59, 76, 87 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER011 Cysteine C3H7NO2S 121.0197 RT 2.11 fragt 122, 59, 76, 87 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER011 Cysteine C3H7NO2S 121.0197 RT 2.11 fragt 122, 59, 76, 87 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER011 Cysteine C3H7NO2S 121.0197 RT 2.11 fragt 122, 59, 76, 87 HMDB NA NA +LABER011 Cysteine C3H7NO2S 121.0197 RT 2.11 fragt 122, 59, 76, 87 Inhouse_PFEM NA NA +LABER011 Cysteine C3H7NO2S 121.0197 RT 2.11 fragt 122, 59, 76, 87 Inhousejuil11 NA NA +C00097 L-Cysteine C3H7NO2S 121.0197 NA KEGG NA NA +C00098 Oligopeptide C2H4NO2R 121.0197 NA KEGG NA NA +C00736 Cysteine C3H7NO2S 121.0197 NA KEGG NA NA +C00793 D-Cysteine C3H7NO2S 121.0197 NA KEGG NA NA +LABER011 Cysteine C3H7NO2S 121.0197 RT 2.11 fragt 122, 59, 76, 87 PFEM_hmdb_metabocards_blood NA blood +LABER011 Cysteine C3H7NO2S 121.0197 RT 2.11 fragt 122, 59, 76, 87 PFEM_hmdb_metabocards_official NA NA +MJ000871 3-Amino-2-mercaptopropanoic acid C3H7NO2S 121.019749 NA MeJP NA NA +MJ000872 Cysteine C3H7NO2S 121.019749 NA MeJP NA NA +MJ000873 D-Cysteine C3H7NO2S 121.019749 NA MeJP NA NA +MJ000874 L-Cysteine C3H7NO2S 121.019749 NA MeJP NA NA +MetaCyc00507 L-cysteine [C;carbocysteine;cysteine;Cys;] C3H7N1O2S1 121.019749 52-90-4 metacyc NA NA +MetaCyc00508 D-cysteine [] C3H7N1O2S1 121.019749 921-01-7 metacyc NA NA +HMDB00574 L-Cysteine C3H7NO2S 121.01975 http://www.hmdb.ca/metabolites/HMDB00574 PFEM_hmdb_metabocards_urine NA urine +HMDB00574 L-Cysteine C3H7NO2S 121.01975 http://www.hmdb.ca/metabolites/HMDB00574 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00574 L-Cysteine C3H7NO2S 121.01975 http://www.hmdb.ca/metabolites/HMDB00574 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00574 L-Cysteine C3H7NO2S 121.01975 http://www.hmdb.ca/metabolites/HMDB00574 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00574 L-Cysteine C3H7NO2S 121.01975 http://www.hmdb.ca/metabolites/HMDB00574 HMDB NA NA +HMDB03417 D-Cysteine C3H7NO2S 121.01975 http://www.hmdb.ca/metabolites/HMDB03417 HMDB NA NA +HMDB00574 L-Cysteine C3H7NO2S 121.01975 NA ;SYN:2-Acetylamino-3-mercapto-propionate; 2-Acetylamino-3-mercapto-propionic acid; Acetadote; Acetilcisteina; Acetylcysteine; Acetylcysteinum; Fluimicil Infantil; Fluimucetin; Flumucetin; Fluprowit; L-Acetylcysteine; Mercapturic acid; N-Acety-L-Cysteine; N-Acetyl-3-mercaptoalanine; N-Acetyl-L-(+)-cysteine; N-Acetylcysteine; Sodium 2-acetamido-3-mercaptopropionateH2Blood; Urine Inhouse_peptide NA peptide +HMDB00574 L-Cysteine C3H7NO2S 121.01975 http://www.hmdb.ca/metabolites/HMDB00574 PFEM_hmdb_metabocards_blood NA blood +HMDB00574 L-Cysteine C3H7NO2S 121.01975 HMDB00574 PFEM_hmdb_metabocards_official NA NA +HMDB03417 D-Cysteine C3H7NO2S 121.01975 HMDB03417 PFEM_hmdb_metabocards_official NA NA +HMDB00574 L-Cysteine C3H7NO2S 121.019753 NA HMDB2010 NA NA +HMDB03417 D-Cysteine C3H7NO2S 121.019753 NA HMDB2010 NA NA +EUR019 cysteine C3H7NO2S 121.0198 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR019 cysteine C3H7NO2S 121.0198 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR019 cysteine C3H7NO2S 121.0198 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR019 cysteine C3H7NO2S 121.0198 Wishlist Inhousejuil11 NA NA +PJ000007 C C3H7NO2S 121.0198 NA PeJP NA NA +CJpos0171 m-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+ (13C) C613CH5N0O2 121.023975 C18rt(min)=6 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0172 p-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+ (13C) C613CH5N0O2 121.023975 C18rt(min)=4.85 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0171 m-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+ (13C) C613CH5N0O2 121.023975 C18rt(min)=6 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0172 p-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+ (13C) C613CH5N0O2 121.023975 C18rt(min)=4.85 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C03392 Dimethylsulfonioacetate C4H9O2S 121.0323 NA KEGG NA NA +MetaCyc00509 dimethylsulfonioacetate [carboxymethyl-dimethyl-sulfonium;] C4H9O2S1 121.032325 NA metacyc NA NA +CJneg0060 Hexose [(M-H)-(C2H4O2)]- (13C) C313CH7O4 121.046125 C18rt(min)=0.92 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0060 Hexose [(M-H)-(C2H4O2)]- (13C) C313CH7O4 121.046125 C18rt(min)=0.92 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +HMDB04461 Benzamide C7H7NO 121.05276 http://www.hmdb.ca/metabolites/HMDB04461 HMDB NA NA +HMDB04461 Benzamide C7H7NO 121.05276 HMDB04461 PFEM_hmdb_metabocards_official NA NA +MJ000875 2-Aminobenzaldehyde C7H7NO 121.052763 NA MeJP NA NA +MJ000876 Benzamide C7H7NO 121.052763 NA MeJP NA NA +HMDB04461 Benzamide C7H7NO 121.052765 NA HMDB2010 NA NA +C09815 Benzamide C7H7NO 121.0528 NA KEGG NA NA +EUR250 Thiamin monophosphate F4 F4 121.059775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR250 Thiamine monophosphate F4 NA 121.059775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR250 Thiamin monophosphate F4 F4 121.059775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR250 Thiamine monophosphate F4 NA 121.059775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR250 Thiamin monophosphate F4 F4 121.059775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR250 Thiamine monophosphate F4 NA 121.059775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR250 Thiamin monophosphate F4 F4 121.059775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR250 Thiamin monophosphate F4 F4 121.059775 standards wishlist analysés sur QTOF HMDB NA NA +EUR250 Thiamin monophosphate F4 F4 121.059775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR250 Thiamine monophosphate F4 NA 121.059775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR250 Thiamin monophosphate F4 F4 121.059775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR250 Thiamin monophosphate F4 F4 121.059775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR244 Thiamin pyrophosphate F6 F6 121.062575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR244 Thiamine pyrophosphate F6 NA 121.062575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR244 Thiamin pyrophosphate F6 F6 121.062575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR244 Thiamine pyrophosphate F6 NA 121.062575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR244 Thiamin pyrophosphate F6 F6 121.062575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR244 Thiamine pyrophosphate F6 NA 121.062575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR244 Thiamin pyrophosphate F6 F6 121.062575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR244 Thiamin pyrophosphate F6 F6 121.062575 standards wishlist analysés sur QTOF HMDB NA NA +EUR244 Thiamin pyrophosphate F6 F6 121.062575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR244 Thiamine pyrophosphate F6 NA 121.062575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR244 Thiamin pyrophosphate F6 F6 121.062575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR244 Thiamin pyrophosphate F6 F6 121.062575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0173 Urea [(2M+H)]+ (13C) C13CH9N4O2 121.067575 C18rt(min)=0.9 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0173 Urea [(2M+H)]+ (13C) C13CH9N4O2 121.067575 C18rt(min)=0.9 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0174 Aminobutyric acid (and isomers) [(M+H)+(H2O)]+ C4H12NO3 121.073375 C18rt(min)=0.9 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0174 Aminobutyric acid (and isomers) [(M+H)+(H2O)]+ C4H12NO3 121.073375 C18rt(min)=0.9 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ000877 2-Amino-2-(hydroxymethyl)-1,3-propanediol C4H11NO3 121.073893 NA MeJP NA NA +MetaCyc00510 Tris [tris(hydroxymethyl)amino methane;] C4H11N1O3 121.073893 NA metacyc NA NA +C07182 Tromethamine C4H11NO3 121.0739 NA KEGG NA NA +C07183 Transferred to D00397 C4H11NO3 121.0739 NA KEGG NA NA +CJpos0175 Nicotine [(M+H)-(C2H3N)]+ C8H12N 121.088575 C18rt(min)=1.04 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0175 Nicotine [(M+H)-(C2H3N)]+ C8H12N 121.088575 C18rt(min)=1.04 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C02455 1-Phenylethylamine C8H11N 121.0891 NA KEGG NA NA +C02456 Phosphorhodopsin C8H11N 121.0891 NA KEGG NA NA +C02846 N,N-Dimethylaniline C8H11N 121.0891 NA KEGG NA NA +C02847 N-Acetyl amino acid C4H6NO3R 121.0891 NA KEGG NA NA +C02848 N-Acetyl-D-galactosaminide C8H14NO6R 121.0891 NA KEGG NA NA +C02850 N-Acyl-L-amino acid C3H3NO3R2 121.0891 NA KEGG NA NA +C02851 N-Acyl-L-citrulline C7H12N3O4R 121.0891 NA KEGG NA NA +C05332 Phenethylamine C8H11N 121.0891 NA KEGG NA NA +C11003 2,4-Dimethylaniline C8H11N 121.0891 NA KEGG NA NA +C11004 2,6-Dimethylaniline C8H11N 121.0891 NA KEGG NA NA +C14455 N-Ethylaniline C8H11N 121.0891 NA KEGG NA NA +HMDB01020 N,N-Dimethylaniline C8H11N 121.089149 NA HMDB2010 NA NA +HMDB02017 1-Phenylethylamine C8H11N 121.089149 NA HMDB2010 NA NA +HMDB12275 Phenylethylamine C8H11N 121.089149 NA HMDB2010 NA NA +MJ000878 2-Phenylethylamine C8H11N 121.089149 NA MeJP NA NA +MJ000879 Benzylamine; N-Me C8H11N 121.089149 NA MeJP NA NA +MJ000880 Phenethylamine C8H11N 121.089149 NA MeJP NA NA +MetaCyc00511 N,N-dimethylaniline [] C8H11N1 121.089149 121-69-7 metacyc NA NA +MetaCyc00512 phenylethylamine [Phenethylamine;β-phenylethylamine;phenylethylamine;2-phenylethylamine;] C8H11N1 121.089149 64-04-0 metacyc NA NA +HMDB02017 Benzeneethanamine C8H11N 121.08915 http://www.hmdb.ca/metabolites/HMDB02017 PFEM_hmdb_metabocards_urine NA urine +HMDB02017 Benzeneethanamine C8H11N 121.08915 http://www.hmdb.ca/metabolites/HMDB02017 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02017 Benzeneethanamine C8H11N 121.08915 http://www.hmdb.ca/metabolites/HMDB02017 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02017 Benzeneethanamine C8H11N 121.08915 http://www.hmdb.ca/metabolites/HMDB02017 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01020 N,N-Dimethylaniline C8H11N 121.08915 http://www.hmdb.ca/metabolites/HMDB01020 HMDB NA NA +HMDB02017 Benzeneethanamine C8H11N 121.08915 http://www.hmdb.ca/metabolites/HMDB02017 HMDB NA NA +HMDB02017 Benzeneethanamine C8H11N 121.08915 http://www.hmdb.ca/metabolites/HMDB02017 PFEM_hmdb_metabocards_blood NA blood +HMDB01020 N,N-Dimethylaniline C8H11N 121.08915 HMDB01020 PFEM_hmdb_metabocards_official NA NA +HMDB02017 Benzeneethanamine C8H11N 121.08915 HMDB02017 PFEM_hmdb_metabocards_official NA NA +3342 ACE inhibitor GPA 121.555 MH2+ Inhouse_peptide NA peptide +7837 ACE inhibitor PQ 121.555 MH2+ Inhouse_peptide NA peptide +7810 ACE inhibitor from anchovy and bonito KP 121.573 MH2+ Inhouse_peptide NA peptide +8218 Antioxidative peptide KP 121.573 MH2+ Inhouse_peptide NA peptide +HMDB02366 Tiglylcarnitine C12H21NO4 121.573532 MH2+ Inhouse_peptide NA peptide +MJ000881 Aluminium phosphate (1:1) AlO4P 121.934958 NA MeJP NA NA +C14870 2-Bromoacetaldehyde C2H3BrO 121.9367 NA KEGG NA NA +MJ000882 Sodium perchlorate ClNaO4 121.93828 NA MeJP NA NA +HMDB12216 Dimethylarsinous acid C2H7AsO 121.971283 NA HMDB2010 NA NA +MetaCyc00513 dimethylarsinous acid [DMAIII;] C2H7O1AS1 121.971286 NA metacyc NA NA +MJ000883 1-Bromopropane C3H7Br 121.973112 NA MeJP NA NA +MJ000884 1,2-Dithiolan-4-ol C3H6OS2 121.986006 NA MeJP NA NA +HMDB02127 3-Mercaptolactic acid C3H6O3S 122.003761 NA HMDB2010 NA NA +HMDB02127 3-Mercaptolactic acid C3H6O3S 122.00377 http://www.hmdb.ca/metabolites/HMDB02127 HMDB NA NA +HMDB02127 3-Mercaptolactic acid C3H6O3S 122.00377 HMDB02127 PFEM_hmdb_metabocards_official NA NA +C05823 3-Mercaptolactate C3H6O3S 122.0038 NA KEGG NA NA +MJ000885 Diethyl disulfide C4H10S2 122.022391 NA MeJP NA NA +MetaCyc00514 nicotinate [3-pyridinecarboxylic acid;nicotinic acid;wampocap;nicolar;nicocap;nicobid;nico-400-;nicamin;niacin;niacine;vitamin B3;] C6H4N1O2 122.024203 59-67-6 metacyc NA NA +EUR422 Tyrosine F5 F5 122.035275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR422 Tyrosine F5 NA 122.035275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR422 Tyrosine F5 F5 122.035275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR422 Tyrosine F5 NA 122.035275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR422 Tyrosine F5 F5 122.035275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR422 Tyrosine F5 NA 122.035275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR422 Tyrosine F5 F5 122.035275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR422 Tyrosine F5 F5 122.035275 standards wishlist analysés sur QTOF HMDB NA NA +EUR422 Tyrosine F5 F5 122.035275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR422 Tyrosine F5 NA 122.035275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR422 Tyrosine F5 F5 122.035275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR422 Tyrosine F5 F5 122.035275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +JH068 Dihydroxyphenyl acetic acid (3,4-) [M+H-HCOOH]+ NA 122.0362 11.86 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH068 Dihydroxyphenyl acetic acid (3,4-) [M+H-HCOOH]+ NA 122.0362 11.86 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH068 Dihydroxyphenyl acetic acid (3,4-) [M+H-HCOOH]+ NA 122.0362 11.86 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH068 Dihydroxyphenyl acetic acid (3,4-) [M+H-HCOOH]+ NA 122.0362 11.86 Inhousejuil11 NA NA +MJ000886 4-Hydroxybenzaldehyde C7H6O2 122.036779 NA MeJP NA NA +MJ000887 Benzoate C7H6O2 122.036779 NA MeJP NA NA +MJ000888 Salicylaldehyde C7H6O2 122.036779 NA MeJP NA NA +MJ000889 2-Hydroxybenzaldehyde C7H6O2 122.036779 NA MeJP NA NA +MJ000890 2-Methyl-1,4-benzoquinone C7H6O2 122.036779 NA MeJP NA NA +MJ000891 4-Hydroxybenzaldehyde C7H6O2 122.036779 NA MeJP NA NA +MJ000892 Benzoic acid C7H6O2 122.036779 NA MeJP NA NA +MJ000893 Tropolone C7H6O2 122.036779 NA MeJP NA NA +MetaCyc00515 salicylaldehyde [] C7H6O2 122.036779 NA metacyc NA NA +MetaCyc00516 tropolone [Tropomyosins;] C7H6O2 122.036779 NA metacyc NA NA +MetaCyc00517 4-hydroxybenzaldehyde [p-Hydroxybenzaldehyde;] C7H6O2 122.036779 123-08-0 metacyc NA NA +MetaCyc00518 3-hydroxybenzaldehyde [] C7H6O2 122.036779 100-83-4 metacyc NA NA +MetaCyc00519 benzoate [benzoic acid;benzenecarboxylic acid;phenylformic acid;] C7H6O2 122.036779 65-85-0 metacyc NA NA +HMDB01870 Benzoic acid C7H6O2 122.03678 http://www.hmdb.ca/metabolites/HMDB01870 HMDB NA NA +HMDB01870 Benzoic acid C7H6O2 122.03678 HMDB01870 PFEM_hmdb_metabocards_official NA NA +HMDB01870 Benzoic acid C7H6O2 122.036781 NA HMDB2010 NA NA +HMDB11718 4-Hydroxybenzaldehyde C7H6O2 122.036781 NA HMDB2010 NA NA +JH201 Catechin (fragment1) NA 122.0368 11.34 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH201 Catechin (fragment1) NA 122.0368 11.34 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH201 Catechin (fragment1) NA 122.0368 11.34 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH201 Catechin (fragment1) NA 122.0368 11.34 Inhousejuil11 NA NA +C00180 Benzoate C7H6O2 122.0368 NA KEGG NA NA +C00539 Aromatic acid C7H6O2 122.0368 NA KEGG NA NA +C00633 4-Hydroxybenzaldehyde C7H6O2 122.0368 NA KEGG NA NA +C00634 Chondroitin 4-sulfate C7H6O2 122.0368 NA KEGG NA NA +C00635 Chondroitin 6-sulfate C7H6O2 122.0368 NA KEGG NA NA +C03067 3-Hydroxybenzaldehyde C7H6O2 122.0368 NA KEGG NA NA +C06202 Salicylaldehyde C7H6O2 122.0368 NA KEGG NA NA +C15474 Tropolone C7H6O2 122.0368 NA KEGG NA NA +JH007 Benzoic acid C7H6O2 122.0371 Rtobs14.38 PFEM_hmdb_metabocards_urine NA urine +JH007 Benzoic acid [M+H]+ C7H6O2 122.0371 14.38 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH007 Benzoic acid C7H6O2 122.0371 Rtobs14.38 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH007 Benzoic acid [M+H]+ C7H6O2 122.0371 14.38 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH007 Benzoic acid C7H6O2 122.0371 Rtobs14.38 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH007 Benzoic acid [M+H]+ C7H6O2 122.0371 14.38 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH007 Benzoic acid C7H6O2 122.0371 Rtobs14.38 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH007 Benzoic acid C7H6O2 122.0371 Rtobs14.38 HMDB NA NA +JH007 Benzoic acid C7H6O2 122.0371 Rtobs14.38 Inhouse_PFEM NA NA +JH007 Benzoic acid [M+H]+ C7H6O2 122.0371 14.38 Inhousejuil11 NA NA +JH007 Benzoic acid C7H6O2 122.0371 Rtobs14.38 PFEM_hmdb_metabocards_blood NA blood +JH007 Benzoic acid C7H6O2 122.0371 Rtobs14.38 PFEM_hmdb_metabocards_official NA NA +CJneg0061 Benzoic acid isomer [M-H]- C7H5O2 122.037325 C18rt(min)=5.38 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0061 Benzoic acid isomer [M-H]- C7H5O2 122.037325 C18rt(min)=5.38 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +PFEM062F1 Nicotinamide F1 122.0396 NA Inhouse_original NA NA +MJ000894 2,2'-Thiobisethanol C4H10O2S 122.04015 NA MeJP NA NA +EUR315 Nicotinamide adenine di nucleotide phosphate F8 F8 122.043075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR315 Nicotinamide adenine di nucleotide phosphate F8 NA 122.043075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR315 Nicotinamide adenine di nucleotide phosphate F8 F8 122.043075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR315 Nicotinamide adenine di nucleotide phosphate F8 NA 122.043075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR315 Nicotinamide adenine di nucleotide phosphate F8 F8 122.043075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR315 Nicotinamide adenine di nucleotide phosphate F8 NA 122.043075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR315 Nicotinamide adenine di nucleotide phosphate F8 F8 122.043075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR315 Nicotinamide adénine di nucléotide phosphate F8 F8 122.043075 standards wishlist analysés sur QTOF HMDB NA NA +EUR315 Nicotinamide adenine di nucleotide phosphate F8 F8 122.043075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR315 Nicotinamide adenine di nucleotide phosphate F8 NA 122.043075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR315 Nicotinamide adenine di nucleotide phosphate F8 F8 122.043075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR315 Nicotinamide adenine di nucleotide phosphate F8 F8 122.043075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR279 Nicotinamide F1 NA 122.045675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR279 Nicotinamide F1 NA 122.045675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR279 Nicotinamide F1 NA 122.045675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR279 Nicotinamide F1 NA 122.045675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR279 Nicotinamide F1 NA 122.045675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR279 Nicotinamide F1 NA 122.045675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR279 Nicotinamide F1 NA 122.045675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR279 Nicotinamide F1 NA 122.045675 standards wishlist analysés sur QTOF HMDB NA NA +EUR279 Nicotinamide F1 NA 122.045675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR279 Nicotinamide F1 NA 122.045675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR279 Nicotinamide F1 NA 122.045675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR279 Nicotinamide F1 NA 122.045675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJneg0062 Hexose [(M-H)-(C2H4O2)]- (18O) C4H7O318O 122.047025 C18rt(min)=0.92 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0062 Hexose [(M-H)-(C2H4O2)]- (18O) C4H7O318O 122.047025 C18rt(min)=0.92 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0176 Nicotinamide [(M+H)]+ C6H7N2O 122.047475 C18rt(min)=1.05 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0176 Nicotinamide [(M+H)]+ C6H7N2O 122.047475 C18rt(min)=1.05 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +EUR048 Nicotinamide C6H6N2O 122.048 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR048 Nicotinamide C6H6N2O 122.048 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR048 Nicotinamide C6H6N2O 122.048 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR048 Nicotinamide C6H6N2O 122.048 Wishlist Inhousejuil11 NA NA +C00153 Nicotinamide C6H6N2O 122.048 NA KEGG NA NA +C01950 Picolinamide C6H6N2O 122.048 NA KEGG NA NA +C02421 Isonicotineamide C6H6N2O 122.048 NA KEGG NA NA +C02424 L-Arginine ester C6H13N4O2R 122.048 NA KEGG NA NA +HMDB01406 Niacinamide C6H6N2O 122.04801 http://www.hmdb.ca/metabolites/HMDB01406 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01406 Niacinamide C6H6N2O 122.04801 http://www.hmdb.ca/metabolites/HMDB01406 HMDB NA NA +HMDB01406 Niacinamide C6H6N2O 122.04801 http://www.hmdb.ca/metabolites/HMDB01406 PFEM_hmdb_metabocards_blood NA blood +HMDB01406 Niacinamide C6H6N2O 122.04801 HMDB01406 PFEM_hmdb_metabocards_official NA NA +HMDB01406 Niacinamide C6H6N2O 122.048012 NA HMDB2010 NA NA +MJ000895 Nicotinamide C6H6N2O 122.048012 NA MeJP NA NA +MJ000896 3-Pyridinecarboxamide C6H6N2O 122.048012 NA MeJP NA NA +EUR048 Nicotinamide C6H6N2O 122.048013 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR048 Nicotinamide C6H6N2O 122.048013 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR048 Nicotinamide C6H6N2O 122.048013 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR048 Nicotinamide C6H6N2O 122.048013 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR048 Nicotinamide C6H6N2O 122.048013 Wishlist HMDB NA NA +EUR048 Nicotinamide C6H6N2O 122.048013 Wishlist Inhouse_PFEM NA NA +MetaCyc00520 nicotinamide [6-aminonicotinamide;vitamin PP;niacinamide;] C6H6N2O1 122.048013 98-92-0 metacyc NA NA +MetaCyc00521 E-pyridine-3-aldoxime [] C6H6N2O1 122.048013 NA metacyc NA NA +EUR048 Nicotinamide C6H6N2O 122.048013 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR048 Nicotinamide C6H6N2O 122.048013 Wishlist PFEM_hmdb_metabocards_official NA NA +C16200 Phenylboronic acid C6H7BO2 122.0539 NA KEGG NA NA +C00503 Erythritol C4H10O4 122.0579 NA KEGG NA NA +C16884 D-Threitol C4H10O4 122.0579 NA KEGG NA NA +HMDB02994 Erythritol C4H10O4 122.057907 NA HMDB2010 NA NA +HMDB04136 D-Threitol C4H10O4 122.057907 NA HMDB2010 NA NA +MJ000897 Erythritol C4H10O4 122.057908 NA MeJP NA NA +MJ000898 Threitol C4H10O4 122.057908 NA MeJP NA NA +MetaCyc00522 erythritol [1,2,3, 4-Tetrahydroxybutane;1,2,3,4-Butanetetrol, (R*,S*)-;Phycitol;Erythritol, meso-;Erythrol;Erythrit;Butanetetrol;meso-Erythritol;1,2,3,4-butanetetrol;] C4H10O4 122.057909 149-32-6 metacyc NA NA +MetaCyc00523 D-erythritol [] C4H10O4 122.057909 NA metacyc NA NA +MetaCyc00524 L-threitol [] C4H10O4 122.057909 2319-57-5 metacyc NA NA +HMDB02994 Erythritol C4H10O4 122.05791 http://www.hmdb.ca/metabolites/HMDB02994 PFEM_hmdb_metabocards_urine NA urine +HMDB04136 D-Threitol C4H10O4 122.05791 http://www.hmdb.ca/metabolites/HMDB04136 PFEM_hmdb_metabocards_urine NA urine +HMDB02994 Erythritol C4H10O4 122.05791 http://www.hmdb.ca/metabolites/HMDB02994 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04136 D-Threitol C4H10O4 122.05791 http://www.hmdb.ca/metabolites/HMDB04136 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02994 Erythritol C4H10O4 122.05791 http://www.hmdb.ca/metabolites/HMDB02994 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04136 D-Threitol C4H10O4 122.05791 http://www.hmdb.ca/metabolites/HMDB04136 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02994 Erythritol C4H10O4 122.05791 http://www.hmdb.ca/metabolites/HMDB02994 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04136 D-Threitol C4H10O4 122.05791 http://www.hmdb.ca/metabolites/HMDB04136 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02994 Erythritol C4H10O4 122.05791 http://www.hmdb.ca/metabolites/HMDB02994 HMDB NA NA +HMDB04136 D-Threitol C4H10O4 122.05791 http://www.hmdb.ca/metabolites/HMDB04136 HMDB NA NA +HMDB02994 Erythritol C4H10O4 122.05791 http://www.hmdb.ca/metabolites/HMDB02994 PFEM_hmdb_metabocards_blood NA blood +HMDB04136 D-Threitol C4H10O4 122.05791 http://www.hmdb.ca/metabolites/HMDB04136 PFEM_hmdb_metabocards_blood NA blood +HMDB02994 Erythritol C4H10O4 122.05791 HMDB02994 PFEM_hmdb_metabocards_official NA NA +HMDB04136 D-Threitol C4H10O4 122.05791 HMDB04136 PFEM_hmdb_metabocards_official NA NA +CJpos0177 Urea [(2M+H)]+ (18O) C2H9N4O18O 122.068375 C18rt(min)=0.9 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0177 Urea [(2M+H)]+ (18O) C2H9N4O18O 122.068375 C18rt(min)=0.9 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ000899 1-Phenylethanol C8H10O 122.073164 NA MeJP NA NA +MJ000900 2-Methylbenzyl alcohol C8H10O 122.073164 NA MeJP NA NA +MJ000901 3-Methylbenzyl alcohol C8H10O 122.073164 NA MeJP NA NA +MJ000902 4-Methylbenzyl alcohol C8H10O 122.073164 NA MeJP NA NA +MJ000903 Phenylethylalcohol C8H10O 122.073164 NA MeJP NA NA +MJ000904 1-Phenylethanol C8H10O 122.073164 NA MeJP NA NA +MJ000905 2,3-Dimethyl-5-methylene-2-cyclopenten-1-one C8H10O 122.073164 NA MeJP NA NA +MJ000906 2,3-Dimethylphenol C8H10O 122.073164 NA MeJP NA NA +MJ000907 2,5-Dimethylphenol C8H10O 122.073164 NA MeJP NA NA +MJ000908 2,6-Dimethylphenol C8H10O 122.073164 NA MeJP NA NA +MJ000909 2-Phenylethanol C8H10O 122.073164 NA MeJP NA NA +MJ000910 4-Ethylphenol C8H10O 122.073164 NA MeJP NA NA +MJ000911 4-Methylphenol; Me ether C8H10O 122.073164 NA MeJP NA NA +MJ000912 6-Methyl-5-hepten-3-yn-2-one C8H10O 122.073164 NA MeJP NA NA +MetaCyc00525 S-1-phenylethanol [] C8H10O1 122.073165 NA metacyc NA NA +MetaCyc00526 R-1-phenylethanol [benzenemethanol, α-methyl,(R)-,;(R)-α-methylbenzyl alcohol;] C8H10O1 122.073165 NA metacyc NA NA +MetaCyc00527 2-phenylethanol [benzeneethanol;phenethanol;] C8H10O1 122.073165 NA metacyc NA NA +MetaCyc00528 1-phenylethanol [] C8H10O1 122.073165 NA metacyc NA NA +C05853 Phenylethyl alcohol C8H10O 122.0732 NA KEGG NA NA +C06757 4-Methylbenzyl alcohol C8H10O 122.0732 NA KEGG NA NA +C07112 1-Phenylethanol C8H10O 122.0732 NA KEGG NA NA +C07213 2-Methylbenzyl alcohol C8H10O 122.0732 NA KEGG NA NA +C07216 3-Methylbenzyl alcohol C8H10O 122.0732 NA KEGG NA NA +C07217 Transferred to D00414 C8H10O 122.0732 NA KEGG NA NA +C11348 (S)-1-Phenylethanol C8H10O 122.0732 NA KEGG NA NA +C11349 Amino group donor C8H10O 122.0732 NA KEGG NA NA +C13637 4-Ethylphenol C8H10O 122.0732 NA KEGG NA NA +C14385 2-Ethylphenol C8H10O 122.0732 NA KEGG NA NA +C14386 3-Ethylphenol C8H10O 122.0732 NA KEGG NA NA +C14582 2,4-Dimethylphenol C8H10O 122.0732 NA KEGG NA NA +3182 dipeptidyl-aminopeptidase IV inhibitor LL 122.084 MH2+ Inhouse_peptide NA peptide +8323 Glucose uptake stimulating peptide IL 122.084 MH2+ Inhouse_peptide NA peptide +8324 Glucose uptake stimulating peptide LI 122.084 MH2+ Inhouse_peptide NA peptide +8325 Glucose uptake stimulating peptide II 122.084 MH2+ Inhouse_peptide NA peptide +8326 Glucose uptake stimulating peptide LL 122.084 MH2+ Inhouse_peptide NA peptide +MJ000913 Trimethylpyrazine C7H10N2 122.084398 NA MeJP NA NA +C14401 2,4-Diaminotoluene C7H10N2 122.0844 NA KEGG NA NA +EUR408 Retinoic acid F6 F6 122.106875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR408 Acide retinoique F6 NA 122.106875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR408 Retinoic acid F6 F6 122.106875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR408 Acide retinoique F6 NA 122.106875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR408 Retinoic acid F6 F6 122.106875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR408 Acide retinoique F6 NA 122.106875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR408 Retinoic acid F6 F6 122.106875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR408 Retinoic acid F6 F6 122.106875 standards wishlist analysés sur QTOF HMDB NA NA +EUR408 Retinoic acid F6 F6 122.106875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR408 Acide retinoique F6 NA 122.106875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR408 Retinoic acid F6 F6 122.106875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR408 Retinoic acid F6 F6 122.106875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ000914 2,3-Dimethylbicyclo[2.2.1]hept-2-ene C9H14 122.10955 NA MeJP NA NA +7832 ACE inhibitor LN 122.56345 MH2+ Inhouse_peptide NA peptide +4005 NA RA 122.569 MH2+ Inhouse_peptide NA peptide +7588 ACE inhibitor RA 122.569 MH2+ Inhouse_peptide NA peptide +7742 ACE inhibitor AR 122.569 MH2+ Inhouse_peptide NA peptide +7558 ACE inhibitor from buckwheat VK 122.581 MH2+ Inhouse_peptide NA peptide +HMDB00688 Isovalerylcarnitine C12H23NO4 122.581352 MH2+ Inhouse_peptide NA peptide +C06697 Arsenite AsO3 122.9063 NA KEGG NA NA +C06698 Monosaccharide AsO3 122.9063 NA KEGG NA NA +C06699 Polar amino acid AsO3 122.9063 NA KEGG NA NA +C06700 Nonpolar amino acid AsO3 122.9063 NA KEGG NA NA +HMDB11620 Arsenite AsO3 122.906342 NA HMDB2010 NA NA +MetaCyc00529 methylarsonite [MMAIII;methylarsonous acid;] C1H4O2AS1 122.942726 NA metacyc NA NA +MetaCyc00530 2-bromoethylamine [2-aminoethylbromide;2-bromoethanamide;2-bromoethylamine;β-bromoethylamine;2-bromo-ethanamine,;2-bromo-ethylamine;] C2H6N1BR1 122.968362 NA metacyc NA NA +C02634 3-Chloro-D-alanine C3H6ClNO2 123.0087 NA KEGG NA NA +C02635 3-Chloro-L-alanine C3H6ClNO2 123.0087 NA KEGG NA NA +MetaCyc00531 3-chloro-L-alanine [] C3H6N1O2CL1 123.008706 NA metacyc NA NA +MetaCyc00532 3-chloro-D-alanine [] C3H6N1O2CL1 123.008706 NA metacyc NA NA +PFEM061F1 niacin F1 123.0135 NA Inhouse_original NA NA +C03311 Thien-2-ylacetonitrile C6H5NS 123.0143 NA KEGG NA NA +EUR295 Niacine F1 NA 123.030875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR295 Niacine F1 NA 123.030875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR295 Niacine F1 NA 123.030875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR295 Niacine F1 NA 123.030875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +CJpos0178 Nicotinic acid [(M+H)]+ C6H6NO2 123.031475 C18rt(min)=1.08 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0179 Nicotinic acid isomer [(M+H)]+ C6H6NO2 123.031475 C18rt(min)=4.47 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0178 Nicotinic acid [(M+H)]+ C6H6NO2 123.031475 C18rt(min)=1.08 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0179 Nicotinic acid isomer [(M+H)]+ C6H6NO2 123.031475 C18rt(min)=4.47 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +EUR035 niacin C6H5NO2 123.032 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR035 niacin C6H5NO2 123.032 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR035 niacin C6H5NO2 123.032 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR035 niacin C6H5NO2 123.032 Wishlist Inhousejuil11 NA NA +C00253 Nicotinate C6H5NO2 123.032 NA KEGG NA NA +C06813 Nitrobenzene C6H5NO2 123.032 NA KEGG NA NA +C07446 Isonicotinic acid C6H5NO2 123.032 NA KEGG NA NA +C10164 Picolinic acid C6H5NO2 123.032 NA KEGG NA NA +HMDB01488 Nicotinic acid C6H5NO2 123.032028 NA HMDB2010 NA NA +HMDB02243 Picolinic acid C6H5NO2 123.032028 NA HMDB2010 NA NA +MJ000915 Nicotinate C6H5NO2 123.032028 NA MeJP NA NA +MJ000916 2-Hydroxy-4-imino-2,5-cyclohexadienone C6H5NO2 123.032028 NA MeJP NA NA +MJ000917 2-Pyridinecarboxylic acid C6H5NO2 123.032028 NA MeJP NA NA +MJ000918 3-Pyridinecarboxylic acid C6H5NO2 123.032028 NA MeJP NA NA +MetaCyc00533 picolinate [2-pyridinecarboxylate;picolinic acid;2-pyridine carboxylic acid;] C6H5N1O2 123.032028 98-98-6 metacyc NA NA +MetaCyc00534 nitrobenzene [benzene-NO2;nitro-benzene;] C6H5N1O2 123.032028 98-95-3 metacyc NA NA +EUR035 Niacin C6H5NO2 123.032029 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR035 Niacin C6H5NO2 123.032029 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR035 Niacin C6H5NO2 123.032029 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR035 Niacin C6H5NO2 123.032029 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR035 Niacin C6H5NO2 123.032029 Wishlist HMDB NA NA +EUR035 Niacin C6H5NO2 123.032029 Wishlist Inhouse_PFEM NA NA +EUR035 Niacin C6H5NO2 123.032029 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR035 Niacin C6H5NO2 123.032029 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB01488 Nicotinic acid C6H5NO2 123.03203 http://www.hmdb.ca/metabolites/HMDB01488 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02243 Picolinic acid C6H5NO2 123.03203 http://www.hmdb.ca/metabolites/HMDB02243 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01488 Nicotinic acid C6H5NO2 123.03203 http://www.hmdb.ca/metabolites/HMDB01488 HMDB NA NA +HMDB02243 Picolinic acid C6H5NO2 123.03203 http://www.hmdb.ca/metabolites/HMDB02243 HMDB NA NA +HMDB01488 Nicotinic acid C6H5NO2 123.03203 Aromatic/Heterocyclic glycine conjugates ;SYN:N-(3-pyridinylcarbonyl)-(9CI)-glycine; N-(3-pyridinylcarbonyl)-glycine; N-(Pyridin-3-ylcarbonyl)glycine; N-Nicotinurate; N-Nicotinuric acid; N-Nicotinylglycine; N-nicotinoyl-(8CI)-Glycine; N-nicotinoyl-Glycine; Nicotinoyl-glycine; Nicotinoylglycine; Nicotinurate; NicotinylglycineH2Blood Inhouse_peptide NA peptide +HMDB02243 Picolinic acid C6H5NO2 123.03203 NA ;SYN:N-Acetyl-4-aminobutanoate; 4-Acetamidobutyric acid; N-acetyl-gamma-amino-n-butyric acid; N-Acetyl-4-aminobutyric acid; 4-(Acetylamino)butanoic acid; N-acetyl-gamma-aminobutyrate; N-acetyl-GABA; N4-Acetylaminobutanoate; N-Acetyl-4-aminobutanoic acid; 4-(Acetylamino)butanoate; N4-Acetylaminobutanoic acidH2Blood; Urine Inhouse_peptide NA peptide +HMDB01488 Nicotinic acid C6H5NO2 123.03203 http://www.hmdb.ca/metabolites/HMDB01488 PFEM_hmdb_metabocards_blood NA blood +HMDB02243 Picolinic acid C6H5NO2 123.03203 http://www.hmdb.ca/metabolites/HMDB02243 PFEM_hmdb_metabocards_blood NA blood +HMDB01488 Nicotinic acid C6H5NO2 123.03203 HMDB01488 PFEM_hmdb_metabocards_official NA NA +HMDB02243 Picolinic acid C6H5NO2 123.03203 HMDB02243 PFEM_hmdb_metabocards_official NA NA +EUR267 Nicotinamide adenine di nucleotide F7 F7 123.032275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR267 Nicotinamide adenine di nucleotide F7 NA 123.032275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR267 Nicotinamide adenine di nucleotide F7 F7 123.032275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR267 Nicotinamide adenine di nucleotide F7 NA 123.032275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR267 Nicotinamide adenine di nucleotide F7 F7 123.032275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR267 Nicotinamide adenine di nucleotide F7 NA 123.032275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR267 Nicotinamide adenine di nucleotide F7 F7 123.032275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR267 Nicotinamide adénine di nucléotide F7 F7 123.032275 standards wishlist analysés sur QTOF HMDB NA NA +EUR267 Nicotinamide adenine di nucleotide F7 F7 123.032275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR267 Nicotinamide adenine di nucleotide F7 NA 123.032275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR267 Nicotinamide adenine di nucleotide F7 F7 123.032275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR267 Nicotinamide adenine di nucleotide F7 F7 123.032275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJneg0063 Nicotinic acid [(M-H)]- C6H4NO2 123.032625 C18rt(min)=1.08 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0064 Nicotinic acid isomer [(M-H)]- C6H4NO2 123.032625 C18rt(min)=4.47 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0063 Nicotinic acid [(M-H)]- C6H4NO2 123.032625 C18rt(min)=1.08 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0064 Nicotinic acid isomer [(M-H)]- C6H4NO2 123.032625 C18rt(min)=4.47 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0065 Benzoic acid isomer [M-H]- (13C) C6[13]CH5O2 123.040725 C18rt(min)=5.38 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0065 Benzoic acid isomer [M-H]- (13C) C6[13]CH5O2 123.040725 C18rt(min)=5.38 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ000919 Pyrazinecarboxylic acid; Amide C5H5N3O 123.043261 NA MeJP NA NA +MetaCyc00535 pyrazinamide [pyrazinecarboxamide;pyrazinoic acid amide;pyrazine carboxylamide;] C5H5N3O1 123.043262 NA metacyc NA NA +C01956 Pyrazinamide C5H5N3O 123.0433 NA KEGG NA NA +MJ000920 (3-Aminopropyl)phosphinic acid C3H10NO2P 123.044915 NA MeJP NA NA +3171 dipeptidyl-aminopeptidase IV inhibitor MP 123.0462 MH2+ Inhouse_peptide NA peptide +7828 ACE inhibitor EV 123.055 MH2+ Inhouse_peptide NA peptide +7829 ACE inhibitor VE 123.055 MH2+ Inhouse_peptide NA peptide +MJ000921 2-Aminobenzyl alcohol C7H9NO 123.068413 NA MeJP NA NA +MJ000922 2-Hydroxybenzylamine C7H9NO 123.068413 NA MeJP NA NA +MJ000923 3-Acetyl-4-methylpyrrole C7H9NO 123.068413 NA MeJP NA NA +MJ000924 3-Hydroxybenzylamine C7H9NO 123.068413 NA MeJP NA NA +MJ000925 4-Hydroxybenzylamine C7H9NO 123.068413 NA MeJP NA NA +MJ000926 5,6,7,7a-Tetrahydro-3H-pyrrolizin-3-one C7H9NO 123.068413 NA MeJP NA NA +JH074 Methyl-L-histidine (3-) [M+H-HCOOH]+ NA 123.0761 1.02 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH074 Methyl-L-histidine (3-) [M+H-HCOOH]+ NA 123.0761 1.02 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH074 Methyl-L-histidine (3-) [M+H-HCOOH]+ NA 123.0761 1.02 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH074 Methyl-L-histidine (3-) [M+H-HCOOH]+ NA 123.0761 1.02 Inhousejuil11 NA NA +MJ000927 2-(1H-Imidazol-4-yl)cyclopropanamine C6H9N3 123.079647 NA MeJP NA NA +MJ000928 4,5,6,7-Tetrahydro-1H-imidazo[4,5-c]pyridine C6H9N3 123.079647 NA MeJP NA NA +MJ000929 Dimethylaminopyrazine C6H9N3 123.079647 NA MeJP NA NA +MJ000930 1-Methylenepyrrolizidine C8H13N 123.104799 NA MeJP NA NA +MJ000931 2,3,4,5-Tetrahydro-6-(1-propenyl)pyridine C8H13N 123.104799 NA MeJP NA NA +7834 ACE inhibitor TQ 123.5525 MH2+ Inhouse_peptide NA peptide +HMDB02095 Malonylcarnitine C10H17NO6 123.5527955 MH2+ Inhouse_peptide NA peptide +MJ000932 1,2,4-Trithiolane C2H4S3 123.947512 NA MeJP NA NA +HMDB12259 Methylarsonite CH5AsO2 123.950546 NA HMDB2010 NA NA +C07295 Methylarsonite CH5AsO2 123.9506 NA KEGG NA NA +C00593 Sulfoacetaldehyde C2H4O4S 123.983 NA KEGG NA NA +MetaCyc00536 sulfoacetaldehyde [2-sulfoacetaldehyde;2-oxo-ethanesulfonate;] C2H4O4S1 123.983029 NA metacyc NA NA +C03167 Phosphonoacetaldehyde C2H5O4P 123.9925 NA KEGG NA NA +C03168 Poly(D-galactosamine) C2H5O4P 123.9925 NA KEGG NA NA +MJ000933 Phosphonoacetaldehyde C2H5O4P 123.992545 NA MeJP NA NA +MetaCyc00537 phosphonoacetaldehyde [phosphonoacetaldehyde;2-phosphonoacetaldehyde;phosphonic acid, (2-oxoethyl)-;acetylphosphonate;] C2H5O4P1 123.992545 NA metacyc NA NA +MJ000934 2,3-Dimercapto-1-propanol C3H8OS2 124.001656 NA MeJP NA NA +MetaCyc00538 6-S-acetyl-dihydrolipoate [6-S-acetyldihydrolipoate;] C3H8O1S2 124.001656 NA metacyc NA NA +C02924 Dimercaprol C3H8OS2 124.0017 NA KEGG NA NA +C07103 2-Hydroxy-1,4-benzoquinone C6H4O3 124.016 NA KEGG NA NA +MJ000935 2-Hydroxy-1,4-benzoquinone C6H4O3 124.016044 NA MeJP NA NA +MetaCyc00539 hydroxybenzoquinone [2-hydroxy-1,4-benzoquinone;2-hydroxycyclohexa-2,5-diene-1,4-dione;] C6H4O3 124.016044 NA metacyc NA NA +EUR269 5hydroxymethyluracil F2 F2 124.024275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR269 5hydroxymethyluracil F2 NA 124.024275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR269 5hydroxymethyluracil F2 F2 124.024275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR269 5hydroxymethyluracil F2 NA 124.024275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR269 5hydroxymethyluracil F2 F2 124.024275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR269 5hydroxymethyluracil F2 NA 124.024275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR269 5hydroxymethyluracil F2 F2 124.024275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR269 5hydroxyméthyluracil F2 F2 124.024275 standards wishlist analysés sur QTOF HMDB NA NA +EUR269 5hydroxymethyluracil F2 F2 124.024275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR269 5hydroxymethyluracil F2 NA 124.024275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR269 5hydroxymethyluracil F2 F2 124.024275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR269 5hydroxymethyluracil F2 F2 124.024275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MetaCyc00540 pyrazinoate [pyrazinoic acid;pyrazinecarboxylic acid;pyrazinemonocarboxylic acid;] C5H4N2O2 124.027277 NA metacyc NA NA +MJ000936 Phenylmethanethiol C7H8S 124.03467 NA MeJP NA NA +MJ000937 Pyrazine diazohydroxide C4H4N4O 124.03851 NA MeJP NA NA +7830 ACE inhibitor TE 124.0445 MH2+ Inhouse_peptide NA peptide +CJpos0180 2-hydroxybenzyl alcohol [(M+H)]+ C7H9O2 124.051875 C18rt(min)=5.58 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0180 2-hydroxybenzyl alcohol [(M+H)]+ C7H9O2 124.051875 C18rt(min)=5.58 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +JH009 Methylcatechol C7H8O2 124.0519 Rtobs10.86 PFEM_hmdb_metabocards_urine NA urine +JH009 Methylcatechol [M+H]+ C7H8O2 124.0519 10.86 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH009 Methylcatechol C7H8O2 124.0519 Rtobs10.86 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH009 Methylcatechol [M+H]+ C7H8O2 124.0519 10.86 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH009 Methylcatechol C7H8O2 124.0519 Rtobs10.86 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH009 Methylcatechol [M+H]+ C7H8O2 124.0519 10.86 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH009 Methylcatechol C7H8O2 124.0519 Rtobs10.86 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH009 Methylcatechol C7H8O2 124.0519 Rtobs10.86 HMDB NA NA +JH009 Methylcatechol C7H8O2 124.0519 Rtobs10.86 Inhouse_PFEM NA NA +JH009 Methylcatechol [M+H]+ C7H8O2 124.0519 10.86 Inhousejuil11 NA NA +JH009 Methylcatechol C7H8O2 124.0519 Rtobs10.86 PFEM_hmdb_metabocards_blood NA blood +JH009 Methylcatechol C7H8O2 124.0519 Rtobs10.86 PFEM_hmdb_metabocards_official NA NA +JH010 Methylcatechol (4-) [M+H]+ C7H8O2 124.0524 10.93 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH010 Methylcatechol (4-) [M+H]+ C7H8O2 124.0524 10.93 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH010 Methylcatechol (4-) [M+H]+ C7H8O2 124.0524 10.93 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH010 Methylcatechol (4-) [M+H]+ C7H8O2 124.0524 10.93 Inhousejuil11 NA NA +C00727 Orcinol C7H8O2 124.0524 NA KEGG NA NA +C01502 o-Methoxyphenol C7H8O2 124.0524 NA KEGG NA NA +C02323 Salicyl alcohol C7H8O2 124.0524 NA KEGG NA NA +C02324 Secondary amine NHR2 124.0524 NA KEGG NA NA +C02923 2,3-Dihydroxytoluene C7H8O2 124.0524 NA KEGG NA NA +C03351 3-Hydroxybenzyl alcohol C7H8O2 124.0524 NA KEGG NA NA +C06730 4-Methylcatechol C7H8O2 124.0524 NA KEGG NA NA +C15572 Guaiacol C7H8O2 124.0524 NA KEGG NA NA +C15573 beta-D-Glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminylproteoglycan C14H22NO12R 124.0524 NA KEGG NA NA +C15574 N-Acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->4)-N- C22H35N2O17R 124.0524 NA KEGG NA NA +C15575 N-Acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosylproteoglycan C14H22NO12R 124.0524 NA KEGG NA NA +C15576 beta-D-Glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-(1->4)- C20H30NO18R 124.0524 NA KEGG NA NA +C15577 N-Acetyl-beta-D-galactosaminyl-(1->4)-beta-D- C14H22NO12R 124.0524 NA KEGG NA NA +C15578 beta-D-Glucuronosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)- C20H30NO18R 124.0524 NA KEGG NA NA +C17467 p-Hydroxybenzyl alcohol C7H8O2 124.0524 NA KEGG NA NA +HMDB00873 4-Methylcatechol C7H8O2 124.052429 NA HMDB2010 NA NA +HMDB01398 Guaiacol C7H8O2 124.052429 NA HMDB2010 NA NA +HMDB11724 4-Hydroxybenzyl alcohol C7H8O2 124.052429 NA HMDB2010 NA NA +MJ000938 2,3-Dihydroxytoluene C7H8O2 124.052429 NA MeJP NA NA +MJ000939 1,4-Benzenediol; Mono-Me ether C7H8O2 124.052429 NA MeJP NA NA +MJ000940 1-(2-Furanyl)-1-propanone C7H8O2 124.052429 NA MeJP NA NA +MJ000941 2-Acetyl-3-methylfuran C7H8O2 124.052429 NA MeJP NA NA +MJ000942 2-Acetyl-5-methylfuran C7H8O2 124.052429 NA MeJP NA NA +MJ000943 2-Hydroxybenzyl alcohol C7H8O2 124.052429 NA MeJP NA NA +MJ000944 2-Methoxyphenol C7H8O2 124.052429 NA MeJP NA NA +MJ000945 2-Methyl-1,4-benzenediol C7H8O2 124.052429 NA MeJP NA NA +MJ000946 3-Hydroxybenzyl alcohol C7H8O2 124.052429 NA MeJP NA NA +MJ000947 4,6-Heptadiyne-1,3-diol C7H8O2 124.052429 NA MeJP NA NA +MJ000948 4,6-Heptadiyne-2,3-diol C7H8O2 124.052429 NA MeJP NA NA +MJ000949 4-Hydroxy-4-vinyl-2-cyclopenten-1-one C7H8O2 124.052429 NA MeJP NA NA +MJ000950 4-Hydroxybenzyl alcohol C7H8O2 124.052429 NA MeJP NA NA +MJ000951 4-Methylcatechol C7H8O2 124.052429 NA MeJP NA NA +MJ000952 5-Methyl-1,3-benzenediol C7H8O2 124.052429 NA MeJP NA NA +HMDB00873 4-Methylcatechol C7H8O2 124.05243 http://www.hmdb.ca/metabolites/HMDB00873 PFEM_hmdb_metabocards_urine NA urine +HMDB01398 Guaiacol C7H8O2 124.05243 http://www.hmdb.ca/metabolites/HMDB01398 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00873 4-Methylcatechol C7H8O2 124.05243 http://www.hmdb.ca/metabolites/HMDB00873 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00873 4-Methylcatechol C7H8O2 124.05243 http://www.hmdb.ca/metabolites/HMDB00873 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00873 4-Methylcatechol C7H8O2 124.05243 http://www.hmdb.ca/metabolites/HMDB00873 HMDB NA NA +HMDB01398 Guaiacol C7H8O2 124.05243 http://www.hmdb.ca/metabolites/HMDB01398 HMDB NA NA +MetaCyc00541 orcinol [5-methyl-1,3-benzenediol;5-methylresorcinol;3,5-toluenediol;3,5-dihydroxytoluene;] C7H8O2 124.05243 504-15-4 metacyc NA NA +MetaCyc00542 guaiacol [o-Methoxyphenol;Catechol monomethyl ether;] C7H8O2 124.05243 90-05-1 metacyc NA NA +MetaCyc00543 salicyl alcohol [Saligenin;2-Hydroxybenzyl alcohol;] C7H8O2 124.05243 90-01-7 metacyc NA NA +MetaCyc00544 3-methylcatechol [2,3-dihydroxytoluene;] C7H8O2 124.05243 488-17-5 metacyc NA NA +MetaCyc00545 4-methylresorcinol [1,3-benzenediol, 4-methyl-;] C7H8O2 124.05243 NA metacyc NA NA +MetaCyc00546 4-methylcatechol [] C7H8O2 124.05243 452-86-8 metacyc NA NA +MetaCyc00547 3-hydroxybenzyl alcohol [3-Hydroxybenzenemethanol;] C7H8O2 124.05243 620-24-6 metacyc NA NA +MetaCyc00548 4-hydroxybenzyl alcohol [] C7H8O2 124.05243 623-05-2 metacyc NA NA +HMDB01398 Guaiacol C7H8O2 124.05243 http://www.hmdb.ca/metabolites/HMDB01398 PFEM_hmdb_metabocards_blood NA blood +HMDB00873 4-Methylcatechol C7H8O2 124.05243 HMDB00873 PFEM_hmdb_metabocards_official NA NA +HMDB01398 Guaiacol C7H8O2 124.05243 HMDB01398 PFEM_hmdb_metabocards_official NA NA +CJneg0066 Hydroxybenzyl alcohol isomer [(M-H)]- C7H7O2 124.053025 C18rt(min)=6.19 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0067 3,4-dihydroxyphenylacetic acid [(M-H)-(CO2)]- C7H7O2 124.053025 C18rt(min)=5.21 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0068 3-hydroxybenzyl alcohol [(M-H)]- C7H7O2 124.053025 C18rt(min)=5.26 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0069 Methoxysalicylic acid isomer [(M-H)-(CO2)]- C7H7O2 124.053025 C18rt(min)=6.2 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0070 2-hydroxybenzyl alcohol [(M-H)]- C7H7O2 124.053025 C18rt(min)=5.58 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0066 Hydroxybenzyl alcohol isomer [(M-H)]- C7H7O2 124.053025 C18rt(min)=6.19 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0067 3,4-dihydroxyphenylacetic acid [(M-H)-(CO2)]- C7H7O2 124.053025 C18rt(min)=5.21 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0068 3-hydroxybenzyl alcohol [(M-H)]- C7H7O2 124.053025 C18rt(min)=5.26 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0069 Methoxysalicylic acid isomer [(M-H)-(CO2)]- C7H7O2 124.053025 C18rt(min)=6.2 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0070 2-hydroxybenzyl alcohol [(M-H)]- C7H7O2 124.053025 C18rt(min)=5.58 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +HMDB02053 Histidylproline diketopiperazine C12H16N4O2 124.0636595 MH2+ Inhouse_peptide NA peptide +HMDB04181 Methylimidazole acetaldehyde C6H8N2O 124.06366 http://www.hmdb.ca/metabolites/HMDB04181 HMDB NA NA +HMDB04181 Methylimidazole acetaldehyde C6H8N2O 124.06366 HMDB04181 PFEM_hmdb_metabocards_official NA NA +HMDB04181 Methylimidazole acetaldehyde C6H8N2O 124.06366 NA HMDB2010 NA NA +MJ000953 4,6-Dimethyl-3-hydroxypyridazine C6H8N2O 124.063662 NA MeJP NA NA +MJ000954 3-Methylimidazole acetaldehyde C6H8N2O 124.063662 NA MeJP NA NA +C03007 N-Propanoylimidazole C6H8N2O 124.0637 NA KEGG NA NA +C05827 Methylimidazole acetaldehyde C6H8N2O 124.0637 NA KEGG NA NA +MJ000955 1-Acetyl-5-methylcyclopentene C8H12O 124.088815 NA MeJP NA NA +MJ000956 1-Ethynylcyclohexanol C8H12O 124.088815 NA MeJP NA NA +MJ000957 2,3,5-Trimethyl-2-cyclopenten-1-one C8H12O 124.088815 NA MeJP NA NA +MJ000958 2,4-Dimethyl-2,4-hexadien-1-ol, Aldehyde C8H12O 124.088815 NA MeJP NA NA +MJ000959 2-Butylfuran C8H12O 124.088815 NA MeJP NA NA +MJ000960 2-Isopropyl-5-methylfuran C8H12O 124.088815 NA MeJP NA NA +MJ000961 3,5,5-Trimethyl-2-cyclopenten-1-one C8H12O 124.088815 NA MeJP NA NA +MJ000962 6-Methyl-3,5-heptadien-2-one C8H12O 124.088815 NA MeJP NA NA +MJ000963 1,2,3,3-Tetramethylcyclopentene C9H16 124.1252 NA MeJP NA NA +MJ000964 1,3-Nonadiene C9H16 124.1252 NA MeJP NA NA +MJ000965 1,8-Nonadiene C9H16 124.1252 NA MeJP NA NA +MJ000966 1-Ethyl-5-methylcyclohexene C9H16 124.1252 NA MeJP NA NA +MJ000967 2,6-Dimethyl-2,4-heptadiene C9H16 124.1252 NA MeJP NA NA +MJ000968 2-Isopropyl-1,4-hexadiene C9H16 124.1252 NA MeJP NA NA +JH011 Taurine [M+H]+ C2H7NO3S 125.012 1.28 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH011 Taurine [M+H]+ C2H7NO3S 125.012 1.28 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH011 Taurine [M+H]+ C2H7NO3S 125.012 1.28 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH011 Taurine [M+H]+ C2H7NO3S 125.012 1.28 Inhousejuil11 NA NA +CJpos0181 Taurine (and isomer) [M+H]+ C2H8O3NS 125.014075 C18rt(min)=0.88 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0181 Taurine (and isomer) [M+H]+ C2H8O3NS 125.014075 C18rt(min)=0.88 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB00251 Taurine C2H7NO3S 125.01466 http://www.hmdb.ca/metabolites/HMDB00251 PFEM_hmdb_metabocards_urine NA urine +HMDB00251 Taurine C2H7NO3S 125.01466 http://www.hmdb.ca/metabolites/HMDB00251 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00251 Taurine C2H7NO3S 125.01466 http://www.hmdb.ca/metabolites/HMDB00251 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00251 Taurine C2H7NO3S 125.01466 http://www.hmdb.ca/metabolites/HMDB00251 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00251 Taurine C2H7NO3S 125.01466 http://www.hmdb.ca/metabolites/HMDB00251 HMDB NA NA +HMDB00251 Taurine C2H7NO3S 125.01466 NA ;SYN:3-methoxytyrosine; 3-methoxy-tyrosine; l-3-Methoxy tyrosine; L-3-Methoxytyrosine; 3-O-Methyldopa; L-4-Hydroxy-3-methoxyphenylalanine; vanilalanineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00251 Taurine C2H7NO3S 125.01466 http://www.hmdb.ca/metabolites/HMDB00251 PFEM_hmdb_metabocards_blood NA blood +HMDB00251 Taurine C2H7NO3S 125.01466 HMDB00251 PFEM_hmdb_metabocards_official NA NA +MJ000969 2-Aminoethanesulfonic acid C2H7NO3S 125.014663 NA MeJP NA NA +MJ000970 Taurine C2H7NO3S 125.014663 NA MeJP NA NA +LABER032 Taurine HMDB00251_RT1_add 125.014664 RT 2.10; 2.40 fragt 126, 108, 44 PFEM_hmdb_metabocards_urine NA urine +LABER032 Taurine HMDB00251_RT1_add 125.014664 RT 2.10; 2.40 fragt 126, 108, 44 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER032 Taurine HMDB00251_RT1_add 125.014664 RT 2.10; 2.40 fragt 126, 108, 44 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER032 Taurine HMDB00251_RT1_add 125.014664 RT 2.10; 2.40 fragt 126, 108, 44 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER032 Taurine HMDB00251_RT1_add 125.014664 RT 2.10; 2.40 fragt 126, 108, 44 HMDB NA NA +HMDB00251 Taurine C2H7NO3S 125.014664 NA HMDB2010 NA NA +LABER032 Taurine HMDB00251_RT1_add 125.014664 RT 2.10; 2.40 fragt 126, 108, 44 Inhouse_PFEM NA NA +LABER032 Taurine NA 125.014664 126.021864 Inhouse_sept12 NA NA +LABER032 Taurine HMDB00251_RT1_add 125.014664 RT 2.10; 2.40 fragt 126, 108, 44 Inhousejuil11 NA NA +MetaCyc00549 taurine [tauphon;taufon;taurine;2-aminoethanesulfonic acid;aminoetylsulphonic acid;ethylaminesulphonic acid;] C2H7N1O3S1 125.014664 107-35-7 metacyc NA NA +LABER032 Taurine HMDB00251_RT1_add 125.014664 RT 2.10; 2.40 fragt 126, 108, 44 PFEM_hmdb_metabocards_blood NA blood +LABER032 Taurine HMDB00251_RT1_add 125.014664 RT 2.10; 2.40 fragt 126, 108, 44 PFEM_hmdb_metabocards_official NA NA +EUR606 Taurine [M+H]+ 125.0147 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR606 Taurine [M+H]+ 125.0147 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR606 Taurine [M+H]+ 125.0147 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR606 Taurine [M+H]+ 125.0147 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00245 Taurine C2H7NO3S 125.0147 NA KEGG NA NA +CJneg0071 Taurine (and isomer) [M-H]- C2H6O3NS 125.015225 C18rt(min)=0.88 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0071 Taurine (and isomer) [M-H]- C2H6O3NS 125.015225 C18rt(min)=0.88 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +HMDB11747 Ciliatine C2H8NO3P 125.024178 NA HMDB2010 NA NA +MJ000971 (2-Aminoethyl)phosphonate C2H8NO3P 125.024179 NA MeJP NA NA +MJ000972 (2-Aminoethyl)phosphonic acid C2H8NO3P 125.024179 NA MeJP NA NA +MetaCyc00550 (2-aminoethyl)phosphonate [Ciliatine;2-Aminoethylphosphonate;] C2H8N1O3P1 125.02418 NA metacyc NA NA +C03557 2-Aminoethylphosphonate C2H8NO3P 125.0242 NA KEGG NA NA +C03782 D-(1-Aminoethyl)phosphonate C2H8NO3P 125.0242 NA KEGG NA NA +EUR249 Thiamin monophosphate F3 F3 125.027275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR249 Thiamine monophosphate F3 NA 125.027275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR249 Thiamin monophosphate F3 F3 125.027275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR249 Thiamine monophosphate F3 NA 125.027275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR249 Thiamin monophosphate F3 F3 125.027275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR249 Thiamine monophosphate F3 NA 125.027275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR249 Thiamin monophosphate F3 F3 125.027275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR249 Thiamin monophosphate F3 F3 125.027275 standards wishlist analysés sur QTOF HMDB NA NA +EUR249 Thiamin monophosphate F3 F3 125.027275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR249 Thiamine monophosphate F3 NA 125.027275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR249 Thiamin monophosphate F3 F3 125.027275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR249 Thiamin monophosphate F3 F3 125.027275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR243 Thiamin pyrophosphate F5 F5 125.028675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR243 Thiamine pyrophosphate F5 NA 125.028675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR243 Thiamin pyrophosphate F5 F5 125.028675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR243 Thiamine pyrophosphate F5 NA 125.028675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR243 Thiamin pyrophosphate F5 F5 125.028675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR243 Thiamine pyrophosphate F5 NA 125.028675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR243 Thiamin pyrophosphate F5 F5 125.028675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR243 Thiamin pyrophosphate F5 F5 125.028675 standards wishlist analysés sur QTOF HMDB NA NA +EUR243 Thiamin pyrophosphate F5 F5 125.028675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR243 Thiamine pyrophosphate F5 NA 125.028675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR243 Thiamin pyrophosphate F5 F5 125.028675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR243 Thiamin pyrophosphate F5 F5 125.028675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB01049 Gamma-Glutamylcysteine C8H14N2O5S 125.0311735 MH2+ Inhouse_peptide NA peptide +MJ000973 3,4-Dihydroxy-2-methylpyridine C6H7NO2 125.047678 NA MeJP NA NA +MJ000974 3-Pyridinemethanol; N-Oxide C6H7NO2 125.047678 NA MeJP NA NA +MJ000975 5-Hydroxy-2-(hydroxymethyl)pyridine C6H7NO2 125.047678 NA MeJP NA NA +MetaCyc00551 N-ethylmaleimide [ethylmaleimide;maleic acid N-ethylimide;maleimide, N-ethyl-;N-EM;1H-pyrrole-2,5-dione, 1-ethyl-;] C6H7N1O2 125.047678 NA metacyc NA NA +MetaCyc00552 aminohydroquinone [] C6H7N1O2 125.047678 NA metacyc NA NA +MetaCyc00553 3-hydroxyaminophenol [] C6H7N1O2 125.047678 NA metacyc NA NA +C02441 N-Ethylmaleimide C6H7NO2 125.0477 NA KEGG NA NA +C02854 N-Furfurylformamide C6H7NO2 125.0477 NA KEGG NA NA +C14602 3-Hydroxyaminophenol C6H7NO2 125.0477 NA KEGG NA NA +C14604 Aminohydroquinone C6H7NO2 125.0477 NA KEGG NA NA +C16671 3,6-Dihydronicotinic acid C6H7NO2 125.0477 NA KEGG NA NA +CJneg0072 3,4-dihydroxyphenylacetic acid [(M-H)-(CO2)]- (13C) C613CH7O2 125.056325 C18rt(min)=5.21 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0073 3-hydroxybenzyl alcohol [(M-H)]- (13C) C613CH7O2 125.056325 C18rt(min)=5.26 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0072 3,4-dihydroxyphenylacetic acid [(M-H)-(CO2)]- (13C) C613CH7O2 125.056325 C18rt(min)=5.21 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0073 3-hydroxybenzyl alcohol [(M-H)]- (13C) C613CH7O2 125.056325 C18rt(min)=5.26 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0182 Methylcytosine isomers [(M+H)]+ C5H8N3O 125.058375 C18rt(min)=1 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0182 Methylcytosine isomers [(M+H)]+ C5H8N3O 125.058375 C18rt(min)=1 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C02376 5-Methylcytosine C5H7N3O 125.0589 NA KEGG NA NA +C02377 5-Oxoprolyl-tRNA C15H22NO12PR2 125.0589 NA KEGG NA NA +HMDB02894 5-Methylcytosine C5H7N3O 125.05891 http://www.hmdb.ca/metabolites/HMDB02894 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02894 5-Methylcytosine C5H7N3O 125.05891 http://www.hmdb.ca/metabolites/HMDB02894 HMDB NA NA +HMDB04339 2-O-Methylcytosine C5H7N3O 125.05891 http://www.hmdb.ca/metabolites/HMDB04339 HMDB NA NA +HMDB02894 5-Methylcytosine C5H7N3O 125.05891 http://www.hmdb.ca/metabolites/HMDB02894 PFEM_hmdb_metabocards_blood NA blood +HMDB02894 5-Methylcytosine C5H7N3O 125.05891 HMDB02894 PFEM_hmdb_metabocards_official NA NA +HMDB04339 2-O-Methylcytosine C5H7N3O 125.05891 HMDB04339 PFEM_hmdb_metabocards_official NA NA +MJ000976 4-Amino-2-hydroxy-5-methylpyrimidine C5H7N3O 125.058911 NA MeJP NA NA +MJ000977 5-Methylcytosine C5H7N3O 125.058911 NA MeJP NA NA +LABER068 5-methyl cytosine NA 125.058914 RT 2.5 PFEM_hmdb_metabocards_urine NA urine +LABER068 5-methyl cytosine NA 125.058914 RT 2.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER068 5-methyl cytosine NA 125.058914 RT 2.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER068 5-methyl cytosine NA 125.058914 RT 2.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER068 5-methyl cytosine NA 125.058914 RT 2.5 HMDB NA NA +HMDB02894 5-Methylcytosine C5H7N3O 125.058914 NA HMDB2010 NA NA +HMDB04339 2-O-Methylcytosine C5H7N3O 125.058914 NA HMDB2010 NA NA +HMDB11601 3-Methylcytosine C5H7N3O 125.058914 NA HMDB2010 NA NA +LABER068 5-methyl cytosine NA 125.058914 RT 2.5 Inhouse_PFEM NA NA +LABER068 5-methyl cytosine NA 125.058914 RT 2.5 Inhousejuil11 NA NA +LABER068 5-methyl cytosine NA 125.058914 RT 2.5 PFEM_hmdb_metabocards_blood NA blood +LABER068 5-methyl cytosine NA 125.058914 RT 2.5 PFEM_hmdb_metabocards_official NA NA +MJ000978 1,2,3,4-Tetrahydropyridine; Ac C7H11NO 125.084063 NA MeJP NA NA +MJ000979 6-Acetyl-1,2,3,4-tetrahydropyridine C7H11NO 125.084063 NA MeJP NA NA +CJpos0183 Methylhistamine isomers [M+H]+ C6H12N3 125.094775 C18rt(min)=0.79 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0183 Methylhistamine isomers [M+H]+ C6H12N3 125.094775 C18rt(min)=0.79 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ000980 ?-Methylhistamine C6H11N3 125.095297 NA MeJP NA NA +MJ000981 Histamine C6H11N3 125.095297 NA MeJP NA NA +MJ000982 N-Methylhistamine C6H11N3 125.095297 NA MeJP NA NA +MetaCyc00554 Nτ-methylhistamine [N-methyl-histamine;methylhistamine;N(T)-methylhistamine;] C6H11N3 125.095297 673-50-7 metacyc NA NA +HMDB00898 1-Methylhistamine C6H11N3 125.095299 NA HMDB2010 NA NA +HMDB01861 3-Methylhistamine C6H11N3 125.095299 NA HMDB2010 NA NA +HMDB00898 1-Methylhistamine C6H11N3 125.0953 http://www.hmdb.ca/metabolites/HMDB00898 PFEM_hmdb_metabocards_urine NA urine +HMDB00898 1-Methylhistamine C6H11N3 125.0953 http://www.hmdb.ca/metabolites/HMDB00898 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01861 3-Methylhistamine C6H11N3 125.0953 http://www.hmdb.ca/metabolites/HMDB01861 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00898 1-Methylhistamine C6H11N3 125.0953 http://www.hmdb.ca/metabolites/HMDB00898 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00898 1-Methylhistamine C6H11N3 125.0953 http://www.hmdb.ca/metabolites/HMDB00898 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00898 1-Methylhistamine C6H11N3 125.0953 http://www.hmdb.ca/metabolites/HMDB00898 HMDB NA NA +HMDB01861 3-Methylhistamine C6H11N3 125.0953 http://www.hmdb.ca/metabolites/HMDB01861 HMDB NA NA +C05127 N-Methylhistamine C6H11N3 125.0953 NA KEGG NA NA +C17928 2-Methylhistamine C6H11N3 125.0953 NA KEGG NA NA +C17929 4-Methylhistamine C6H11N3 125.0953 NA KEGG NA NA +HMDB00898 1-Methylhistamine C6H11N3 125.0953 http://www.hmdb.ca/metabolites/HMDB00898 PFEM_hmdb_metabocards_blood NA blood +HMDB01861 3-Methylhistamine C6H11N3 125.0953 http://www.hmdb.ca/metabolites/HMDB01861 PFEM_hmdb_metabocards_blood NA blood +HMDB00898 1-Methylhistamine C6H11N3 125.0953 HMDB00898 PFEM_hmdb_metabocards_official NA NA +HMDB01861 3-Methylhistamine C6H11N3 125.0953 HMDB01861 PFEM_hmdb_metabocards_official NA NA +C10138 gamma-Coniceine C8H15N 125.1204 NA KEGG NA NA +MJ000983 Silver(I) fluoride AgF 125.903496 NA MeJP NA NA +MetaCyc00555 arsenite [arsenic trioxide;arsenic oxide;arsenic (III) oxide;arsenous trioxide;arsenic sesquioxide;arsenous oxide;white arsenic;diarsenic trioxide;crude arsenic;arsenious oxide;arsenic (III) trioxide;arsenous anhydride;arsenolite;arsenous acid anhydride;arsenous oxide anhydride;arsodent;claudelite;clauditite;arsenicum album;diarsonic trioxide;diarsenic oxide;] H3O3AS1 125.929815 NA metacyc NA NA +MJ000984 Dimethyl trisulfide C2H6S3 125.963162 NA MeJP NA NA +C08372 Dimethyl trisulfide C2H6S3 125.9632 NA KEGG NA NA +C02405 Formyl phosphate CH3O5P 125.9718 NA KEGG NA NA +C02408 Gelatin type III CH3O5P 125.9718 NA KEGG NA NA +C02409 GlcMan9(GlcNAc)2 CH3O5P 125.9718 NA KEGG NA NA +C02410 Glucosylated DNA C16H27O13PR2 125.9718 NA KEGG NA NA +C06456 Phosphonoformate CH3O5P 125.9718 NA KEGG NA NA +MJ000985 Formyl phosphate CH3O5P 125.971809 NA MeJP NA NA +MJ000986 Phosphonoformic acid CH3O5P 125.971809 NA MeJP NA NA +MetaCyc00556 formyl phosphate [] C1H3O5P1 125.97181 1189-72-6 metacyc NA NA +MJ000987 Methanesulfonothioic acid; Me ester C2H6O2S2 125.98092 NA MeJP NA NA +MetaCyc00557 methylmethanethiosulfonate [] C2H6O2S2 125.980921 NA metacyc NA NA +MJ000988 2-Hydroxy-1-ethanesulfonic acid C2H6O4S 125.998679 NA MeJP NA NA +MJ000989 2-Hydroxyethanesulfonate C2H6O4S 125.998679 NA MeJP NA NA +MetaCyc00558 isethionate [Isethionic acid;2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;] C2H6O4S1 125.998679 107-36-8 metacyc NA NA +HMDB03903 2-Hydroxyethanesulfonate C2H6O4S 125.99868 http://www.hmdb.ca/metabolites/HMDB03903 HMDB NA NA +HMDB03903 2-Hydroxyethanesulfonate C2H6O4S 125.99868 HMDB03903 PFEM_hmdb_metabocards_official NA NA +HMDB03903 2-Hydroxyethanesulfonate C2H6O4S 125.99868 NA HMDB2010 NA NA +C05123 2-Hydroxyethanesulfonate C2H6O4S 125.9987 NA KEGG NA NA +MJ000990 Amitivir C3H2N4S 126.000016 NA MeJP NA NA +HMDB12228 Ethylphosphate C2H7O4P 126.008194 NA HMDB2010 NA NA +C06451 2-Hydroxyethylphosphonate C2H7O4P 126.0082 NA KEGG NA NA +MJ000991 2-Acetylthiophene C6H6OS 126.013935 NA MeJP NA NA +MJ000992 2-Mercaptophenol C6H6OS 126.013935 NA MeJP NA NA +C14451 4-Chlorotoluene C7H7Cl 126.0236 NA KEGG NA NA +EUR260 Ergothioneine F4 F4 126.024475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR260 Ergothioneine F4 NA 126.024475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR260 Ergothioneine F4 F4 126.024475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR260 Ergothioneine F4 NA 126.024475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR260 Ergothioneine F4 F4 126.024475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR260 Ergothioneine F4 NA 126.024475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR260 Ergothioneine F4 F4 126.024475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR260 Ergothionéine F4 F4 126.024475 standards wishlist analysés sur QTOF HMDB NA NA +EUR260 Ergothioneine F4 F4 126.024475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR260 Ergothioneine F4 NA 126.024475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR260 Ergothioneine F4 F4 126.024475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR260 Ergothioneine F4 F4 126.024475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ000993 2-Amino-3-pyridinethiol C5H6N2S 126.025168 NA MeJP NA NA +MJ000994 (2,2,2-Trifluoroethoxy)ethene C4H5F3O 126.029249 NA MeJP NA NA +JH015 Phloroglucinol [M+H]+ C6H6O3 126.0304 4.44 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH015 Phloroglucinol [M+H]+ C6H6O3 126.0304 4.44 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH015 Phloroglucinol [M+H]+ C6H6O3 126.0304 4.44 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH015 Phloroglucinol [M+H]+ C6H6O3 126.0304 4.44 Inhousejuil11 NA NA +CJpos0184 Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H4O)]+ C6H7O3 126.031175 C18rt(min)=5.3 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0184 Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H4O)]+ C6H7O3 126.031175 C18rt(min)=5.3 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ000995 1,2,3-Benzenetriol C6H6O3 126.031694 NA MeJP NA NA +MJ000996 1,2,4-Benzenetriol C6H6O3 126.031694 NA MeJP NA NA +MJ000997 1,3,5-Benzenetriol C6H6O3 126.031694 NA MeJP NA NA +MJ000998 1,6-Anhydro-3,4-dideoxy-glycero-hex-3-enopyranos-2-ulose C6H6O3 126.031694 NA MeJP NA NA +MJ000999 2,5-Dioxo-3-hexenal C6H6O3 126.031694 NA MeJP NA NA +MJ001000 2-(Hydroxyacetyl)furan C6H6O3 126.031694 NA MeJP NA NA +MJ001001 2-Hydroxy-3-methyl-4H-pyran-4-one C6H6O3 126.031694 NA MeJP NA NA +MJ001002 3-Hydroxy-2-methyl-4H-pyran-4-one C6H6O3 126.031694 NA MeJP NA NA +MJ001003 4-Hydroxy-2H-pyran-3-carboxaldehyde C6H6O3 126.031694 NA MeJP NA NA +MJ001004 4-Hydroxy-6-methyl-2H-pyran-2-one C6H6O3 126.031694 NA MeJP NA NA +MJ001005 5-Hydroxy-3-vinyl-2(5H)-furanone C6H6O3 126.031694 NA MeJP NA NA +MJ001006 5-Hydroxymethyl-2-furancarboxaldehyde C6H6O3 126.031694 NA MeJP NA NA +MJ001007 Benzene-1,2,4-triol C6H6O3 126.031694 NA MeJP NA NA +MetaCyc00559 triacetate lactone [] C6H6O3 126.031694 675-10-5 metacyc NA NA +MetaCyc00560 pyrogallol [1,2,3-trihydroxybenzene;1,2,3-benzenetriol;C.I. Oxidation Base 32;C.I. 76515;fouramine base ap;Fouramine Brown AP;fourrine 85;fourrine PG;Piral;Pyro;pyrogallic acid;] C6H6O3 126.031694 NA metacyc NA NA +MetaCyc00561 triacetic acid lactone [] C6H6O3 126.031694 NA metacyc NA NA +MetaCyc00562 phloroglucinol [1,3,5-trihydroxybenzene;1,3,5-benzenetriol;1,3,5-THB;] C6H6O3 126.031694 108-73-6 metacyc NA NA +MetaCyc00563 benzene-1,2,4-triol [1,2,4-trihydroxybenzene;hydroxyquinol;4-hydroxycatechol;] C6H6O3 126.031694 533-73-3 metacyc NA NA +C01108 1,2,3-Trihydroxybenzene C6H6O3 126.0317 NA KEGG NA NA +C02183 Phloroglucinol C6H6O3 126.0317 NA KEGG NA NA +C02752 Triacetate lactone C6H6O3 126.0317 NA KEGG NA NA +C02814 Benzene-1,2,4-triol C6H6O3 126.0317 NA KEGG NA NA +C02815 C4b-binding protein C6H6O3 126.0317 NA KEGG NA NA +C02816 Calmodulin L-lysine C7H13N3O2R2 126.0317 NA KEGG NA NA +C11101 5-Hydroxymethyl-2-furaldehyde C6H6O3 126.0317 NA KEGG NA NA +C11918 Maltol C6H6O3 126.0317 NA KEGG NA NA +CJneg0074 Hydroxyanthranilic acid isomer [(M-H)-(HCN)]- C6H5N0O3 126.032225 C18rt(min)=5.25 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0075 3,5-dihydroxybenzoic acid / 3,4-dihydroxybenzoic acid [(M-H)-(CO)]- C6H5O3 126.032225 C18rt(min)=4.83 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0074 Hydroxyanthranilic acid isomer [(M-H)-(HCN)]- C6H5N0O3 126.032225 C18rt(min)=5.25 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0075 3,5-dihydroxybenzoic acid / 3,4-dihydroxybenzoic acid [(M-H)-(CO)]- C6H5O3 126.032225 C18rt(min)=4.83 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0185 Imidazoleacetic acid isomers [(M+H)]+ C5H7N2O2 126.042375 C18rt(min)=0.94 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0186 Thymidine [(M+H)-(C5H8O3)]+ C5H7N2O2 126.042375 C18rt(min)=1.17 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0185 Imidazoleacetic acid isomers [(M+H)]+ C5H7N2O2 126.042375 C18rt(min)=0.94 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0186 Thymidine [(M+H)-(C5H8O3)]+ C5H7N2O2 126.042375 C18rt(min)=1.17 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +C00178 Thymine C5H6N2O2 126.0429 NA KEGG NA NA +C02835 Imidazole-4-acetate C5H6N2O2 126.0429 NA KEGG NA NA +MJ001008 Imidazole-4-acetate C5H6N2O2 126.042927 NA MeJP NA NA +MJ001009 Thymine C5H6N2O2 126.042927 NA MeJP NA NA +MJ001010 1H-Imidazole-1-acetic acid C5H6N2O2 126.042927 NA MeJP NA NA +MJ001011 1H-Imidazole-4(5)-acetic acid C5H6N2O2 126.042927 NA MeJP NA NA +MJ001012 2,5-Dihydroxy-3-methylpyrazine C5H6N2O2 126.042927 NA MeJP NA NA +MJ001013 4-Methyl-1H-pyrazole-3(5)-carboxylic acid C5H6N2O2 126.042927 NA MeJP NA NA +MJ001014 Thymine C5H6N2O2 126.042927 NA MeJP NA NA +MetaCyc00564 4-imidazoleacetate [imidazole-4-acetate;imidazoleacetic acid;] C5H6N2O2 126.042927 NA metacyc NA NA +MetaCyc00565 thymine [5-methyluracil;5-methyl-2,4(1H,3H)-pyrimidinedione;] C5H6N2O2 126.042927 65-71-4 metacyc NA NA +HMDB00262 Thymine C5H6N2O2 126.04293 http://www.hmdb.ca/metabolites/HMDB00262 PFEM_hmdb_metabocards_urine NA urine +HMDB02024 Imidazoleacetic acid C5H6N2O2 126.04293 http://www.hmdb.ca/metabolites/HMDB02024 PFEM_hmdb_metabocards_urine NA urine +HMDB00262 Thymine C5H6N2O2 126.04293 http://www.hmdb.ca/metabolites/HMDB00262 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02024 Imidazoleacetic acid C5H6N2O2 126.04293 http://www.hmdb.ca/metabolites/HMDB02024 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00262 Thymine C5H6N2O2 126.04293 http://www.hmdb.ca/metabolites/HMDB00262 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02024 Imidazoleacetic acid C5H6N2O2 126.04293 http://www.hmdb.ca/metabolites/HMDB02024 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00262 Thymine C5H6N2O2 126.04293 http://www.hmdb.ca/metabolites/HMDB00262 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02024 Imidazoleacetic acid C5H6N2O2 126.04293 http://www.hmdb.ca/metabolites/HMDB02024 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00262 Thymine C5H6N2O2 126.04293 http://www.hmdb.ca/metabolites/HMDB00262 HMDB NA NA +HMDB02024 Imidazoleacetic acid C5H6N2O2 126.04293 http://www.hmdb.ca/metabolites/HMDB02024 HMDB NA NA +HMDB02024 Imidazoleacetic acid C5H6N2O2 126.04293 NA ;SYN:4-(carbamimidamido)butanoate; 4-(carbamimidamido)butanoic acid; 4-Guanidinobutanoate; 4-Guanidinobutyrate; 4-Guanidinobutyric acid; 4-guanidinobutanoic acid; gamma-Guanidinobutyrate; gamma-Guanidinobutyric acidH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00262 Thymine C5H6N2O2 126.04293 http://www.hmdb.ca/metabolites/HMDB00262 PFEM_hmdb_metabocards_blood NA blood +HMDB02024 Imidazoleacetic acid C5H6N2O2 126.04293 http://www.hmdb.ca/metabolites/HMDB02024 PFEM_hmdb_metabocards_blood NA blood +HMDB00262 Thymine C5H6N2O2 126.04293 HMDB00262 PFEM_hmdb_metabocards_official NA NA +HMDB02024 Imidazoleacetic acid C5H6N2O2 126.04293 HMDB02024 PFEM_hmdb_metabocards_official NA NA +LABER067 Thymine NA 126.042931 RT 2.58 fragt 127, 110, 54, 56, 84 PFEM_hmdb_metabocards_urine NA urine +LABER067 Thymine NA 126.042931 RT 2.58 fragt 127, 110, 54, 56, 84 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER067 Thymine NA 126.042931 RT 2.58 fragt 127, 110, 54, 56, 84 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER067 Thymine NA 126.042931 RT 2.58 fragt 127, 110, 54, 56, 84 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER067 Thymine NA 126.042931 RT 2.58 fragt 127, 110, 54, 56, 84 HMDB NA NA +HMDB00262 Thymine C5H6N2O2 126.042931 NA HMDB2010 NA NA +HMDB02024 Imidazoleacetic acid C5H6N2O2 126.042931 NA HMDB2010 NA NA +LABER067 Thymine NA 126.042931 RT 2.58 fragt 127, 110, 54, 56, 84 Inhouse_PFEM NA NA +LABER067 Thymine NA 126.042931 RT 2.58 fragt 127, 110, 54, 56, 84 Inhousejuil11 NA NA +LABER067 Thymine NA 126.042931 RT 2.58 fragt 127, 110, 54, 56, 84 PFEM_hmdb_metabocards_blood NA blood +LABER067 Thymine NA 126.042931 RT 2.58 fragt 127, 110, 54, 56, 84 PFEM_hmdb_metabocards_official NA NA +CJneg0076 Imidazoleacetic acid isomers [(M-H)]- C5H5N2O2 126.043525 C18rt(min)=0.94 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0076 Imidazoleacetic acid isomers [(M-H)]- C5H5N2O2 126.043525 C18rt(min)=0.94 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +3563 ACE inhibitor AY 126.05 MH2+ Inhouse_peptide NA peptide +7589 ACE inhibitor YA 126.05 MH2+ Inhouse_peptide NA peptide +7685 ACE inhibitor from garlic SF 126.05 MH2+ Inhouse_peptide NA peptide +7866 peptide from Okara protein AY 126.05 MH2+ Inhouse_peptide NA peptide +HMDB03192 5-Aminoimidazole-4-carboxamide C4H6N4O 126.05416 http://www.hmdb.ca/metabolites/HMDB03192 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02128 2,4-Diamino-6-hydroxypyrimidine C4H6N4O 126.05416 http://www.hmdb.ca/metabolites/HMDB02128 HMDB NA NA +HMDB03192 5-Aminoimidazole-4-carboxamide C4H6N4O 126.05416 http://www.hmdb.ca/metabolites/HMDB03192 HMDB NA NA +MJ001015 5-Amino-4-imidazolecarboxyamide C4H6N4O 126.05416 NA MeJP NA NA +HMDB03192 5-Aminoimidazole-4-carboxamide C4H6N4O 126.05416 http://www.hmdb.ca/metabolites/HMDB03192 PFEM_hmdb_metabocards_blood NA blood +HMDB02128 2,4-Diamino-6-hydroxypyrimidine C4H6N4O 126.05416 HMDB02128 PFEM_hmdb_metabocards_official NA NA +HMDB03192 5-Aminoimidazole-4-carboxamide C4H6N4O 126.05416 HMDB03192 PFEM_hmdb_metabocards_official NA NA +HMDB02128 2,4-Diamino-6-hydroxypyrimidine C4H6N4O 126.054161 NA HMDB2010 NA NA +HMDB03192 5-Aminoimidazole-4-carboxamide C4H6N4O 126.054161 NA HMDB2010 NA NA +MetaCyc00566 5-amino-4-imidazolecarboxyamide [1H-imidazole-4-carboxamide, 5-amino-;5(4)-amino-4(5)-imidazolecarboxamide;5-aminoimidazole-4-carboxamide;4-amino-5-carbamoylimidazole;4-amino-5-imidazolecarboxamide;] C4H6N4O1 126.054161 NA metacyc NA NA +C04051 5-Amino-4-imidazolecarboxyamide C4H6N4O 126.0542 NA KEGG NA NA +7842 ACE inhibitor HP 126.055 MH2+ Inhouse_peptide NA peptide +7843 ACE inhibitor PH 126.055 MH2+ Inhouse_peptide NA peptide +MetaCyc00567 melamine [cyanurotriamide;cyanurotriamine;cyanuramide;isomelamine;theoharn;2,4,6-triamino-1,3,5-triazine;] C3H6N6 126.065394 NA metacyc NA NA +C08737 Melamine C3H6N6 126.0654 NA KEGG NA NA +MetaCyc00568 N3-methylcytosine [] C5H8N3O1 126.066737 NA metacyc NA NA +CJpos0187 Dihydroxyphenylethyleneglycol isomer [(M+H)-(CO2)]+ C7H11O2 126.067575 C18rt(min)=5.3 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0187 Dihydroxyphenylethyleneglycol isomer [(M+H)-(CO2)]+ C7H11O2 126.067575 C18rt(min)=5.3 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ001016 2,4-Heptadienoic acid C7H10O2 126.068079 NA MeJP NA NA +MJ001017 2-Methyl-2,4-hexadienoic acid C7H10O2 126.068079 NA MeJP NA NA +MJ001018 3,4-Dimethyl-1,2-cyclopentanedione C7H10O2 126.068079 NA MeJP NA NA +MJ001019 3,5-Dimethyl-1,2-cyclopentanedione C7H10O2 126.068079 NA MeJP NA NA +MJ001020 3-Ethyl-1,2-cyclopentanedione C7H10O2 126.068079 NA MeJP NA NA +MJ001021 3-Heptene-2,5-dione C7H10O2 126.068079 NA MeJP NA NA +MJ001022 3-Methyl-1,2-cyclohexanedione C7H10O2 126.068079 NA MeJP NA NA +MJ001023 4,5-Dihydro-2,4-dimethyl-3-furancarboxaldehyde C7H10O2 126.068079 NA MeJP NA NA +MJ001024 4-Hepten-6-yne-2,3-diol C7H10O2 126.068079 NA MeJP NA NA +MJ001025 4-Hydroxy-4-methyl-2-cyclohexen-1-one C7H10O2 126.068079 NA MeJP NA NA +MJ001026 Toluene-cis-1,2-dihydrodiol C7H10O2 126.068079 NA MeJP NA NA +MetaCyc00569 toluene-cis-1,2-dihydrodiol [toluene-cis-1,2-dihydroxydiol;toluene-cis-dihydrodiol;(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol;(+)-cis-1S,2R-dihydroxy-3-methyl-cyclohexa-3,5-diene;] C7H10O2 126.06808 41977-20-2 metacyc NA NA +C04592 Toluene-cis-dihydrodiol C7H10O2 126.0681 NA KEGG NA NA +C12101 Cyclohex-1-enecarboxylic acid C7H10O2 126.0681 NA KEGG NA NA +CJpos0188 Gly-pro (glycylproline) [(M+H)-(HCOOH)]+ C6H11N2O 126.078775 C18rt(min)=1.02 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0189 Pro-Gly (prolylglycine) [(M+H)-(HCOOH)]+ C6H11N2O 126.078775 C18rt(min)=0.98 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0188 Gly-pro (glycylproline) [(M+H)-(HCOOH)]+ C6H11N2O 126.078775 C18rt(min)=1.02 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0189 Pro-Gly (prolylglycine) [(M+H)-(HCOOH)]+ C6H11N2O 126.078775 C18rt(min)=0.98 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0190 Methylhistamine isomers [M+H]+ (13C) C513CH12N3 126.098075 C18rt(min)=0.79 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0190 Methylhistamine isomers [M+H]+ (13C) C513CH12N3 126.098075 C18rt(min)=0.79 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ001027 1,4-Octadien-3-ol C8H14O 126.104465 NA MeJP NA NA +MJ001028 1,5-Octadien-3-ol C8H14O 126.104465 NA MeJP NA NA +MJ001029 1-Octen-3-one C8H14O 126.104465 NA MeJP NA NA +MJ001030 2,4,4-Trimethylcyclopentanone C8H14O 126.104465 NA MeJP NA NA +MJ001031 2,4-Dimethyl-2,4-hexadien-1-ol C8H14O 126.104465 NA MeJP NA NA +MJ001032 2,4-Octadien-1-ol C8H14O 126.104465 NA MeJP NA NA +MJ001033 2-Ethylcyclopentanecarboxaldehyde C8H14O 126.104465 NA MeJP NA NA +MJ001034 2-Isopropylcyclopentanone C8H14O 126.104465 NA MeJP NA NA +MJ001035 2-Octenal C8H14O 126.104465 NA MeJP NA NA +MJ001036 3-Methyl-3-hepten-2-one C8H14O 126.104465 NA MeJP NA NA +MJ001037 3-Methyl-5-hepten-2-one C8H14O 126.104465 NA MeJP NA NA +MJ001038 3-Octen-2-one C8H14O 126.104465 NA MeJP NA NA +MJ001039 4-Methyl-4-hepten-3-one C8H14O 126.104465 NA MeJP NA NA +MJ001040 5,7-Octadien-3-ol C8H14O 126.104465 NA MeJP NA NA +MJ001041 5-Ethyl-1-cyclopentene-1-methanol C8H14O 126.104465 NA MeJP NA NA +MJ001042 5-Methyl-2-hepten-4-one C8H14O 126.104465 NA MeJP NA NA +MJ001043 5-Octen-2-one C8H14O 126.104465 NA MeJP NA NA +MJ001044 6-Methyl-3-hepten-2-one C8H14O 126.104465 NA MeJP NA NA +MJ001045 6-Methyl-5-hepten-2-one C8H14O 126.104465 NA MeJP NA NA +MJ001046 6-Methyl-6-hepten-2-one C8H14O 126.104465 NA MeJP NA NA +MJ001047 7-Octenal C8H14O 126.104465 NA MeJP NA NA +C07287 Sulcatone C8H14O 126.1045 NA KEGG NA NA +CJneg0077 Azelaic acid [(M-H)-(H2O)-(CO2)]- C8H13O 126.105025 C18rt(min)=7.01 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0077 Azelaic acid [(M-H)-(H2O)-(CO2)]- C8H13O 126.105025 C18rt(min)=7.01 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MetaCyc00570 1,5-diazabicyclononane [1,5-diazabicyclo[4.3.0]nonane;] C7H14N2 126.115698 NA metacyc NA NA +MJ001048 1-Nonene C9H18 126.14085 NA MeJP NA NA +MJ001049 2-Methyl-2-octene C9H18 126.14085 NA MeJP NA NA +MJ001050 Isopropylcyclohexane C9H18 126.14085 NA MeJP NA NA +MJ001051 Iodine I 126.904468 NA MeJP NA NA +HMDB12238 Iodide I 126.904472 NA HMDB2010 NA NA +C00708 Iodide I 126.9045 NA KEGG NA NA +MJ001052 Dichloroacetic acid; Amide C2H3Cl2NO 126.959169 NA MeJP NA NA +C14450 4-Chloroaniline C6H6ClN 127.0189 NA KEGG NA NA +MJ001053 1H-Pyrazole-1-carbothioamide C4H5N3S 127.020417 NA MeJP NA NA +C03458 2,3,6-Trihydroxypyridine C5H5NO3 127.0269 NA KEGG NA NA +MJ001054 4-Hydroxy-1H-pyrrole-2-carboxylic acid C5H5NO3 127.026943 NA MeJP NA NA +MetaCyc00571 2,3,6-trihydroxypyridine [] C5H5N1O3 127.026943 NA metacyc NA NA +CJpos0191 Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H4O)]+ (13C) C513CH7O3 127.034475 C18rt(min)=5.3 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0191 Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H4O)]+ (13C) C513CH7O3 127.034475 C18rt(min)=5.3 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ001055 5-Amino-4-imidazole carboxylate C4H5N3O2 127.038176 NA MeJP NA NA +MJ001056 2-Methyl-4(5)-nitroimidazole C4H5N3O2 127.038176 NA MeJP NA NA +MetaCyc00572 4-amino-5-imidazole carboxylate [5-amino-4-imidazole carboxylate;] C4H5N3O2 127.038176 NA metacyc NA NA +C05516 5-Amino-4-imidazole carboxylate C4H5N3O2 127.0382 NA KEGG NA NA +C16621 1-Methyl-4-nitroimidazole C4H5N3O2 127.0382 NA KEGG NA NA +MJ001057 4-Isothiocyanato-2-methyl-1-butene C6H9NS 127.045569 NA MeJP NA NA +MJ001058 5-Isothiocyanato-1-pentene C6H9NS 127.045569 NA MeJP NA NA +MJ001059 Thiiranebutanoic acid; Nitrile C6H9NS 127.045569 NA MeJP NA NA +C08733 2-Hydroxy-4,6-diamino-1,3,5-triazine C3H5N5O 127.0494 NA KEGG NA NA +MetaCyc00573 ammeline [ammelin;4,6-diamino-1,3,5-triazin-2-ol;2,4-diamino-1,3,5-triazin-6-one;] C3H5N5O1 127.04941 NA metacyc NA NA +CJpos0192 4-Acetamidobutanoic acid [(M+H)-(H2O)]+ C6H10NO2 127.062775 C18rt(min)=1.02 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0193 4-Aminophenol (and isomers) [(M+H)+(H2O)]+ C6H10NO2 127.062775 C18rt(min)=1.04 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0192 4-Acetamidobutanoic acid [(M+H)-(H2O)]+ C6H10NO2 127.062775 C18rt(min)=1.02 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0193 4-Aminophenol (and isomers) [(M+H)+(H2O)]+ C6H10NO2 127.062775 C18rt(min)=1.04 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C00450 (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate C6H9NO2 127.0633 NA KEGG NA NA +C04092 delta1-Piperideine-2-carboxylate C6H9NO2 127.0633 NA KEGG NA NA +C04093 poly-cis-Polyprenyl diphosphate C5H12O7P2 127.0633 NA KEGG NA NA +C04096 (S)-2-Hydroxymonocarboxylic acid C2H3O3R 127.0633 NA KEGG NA NA +C04097 2-alpha-D-Mannosylheteroglycan C2H3O3R 127.0633 NA KEGG NA NA +C04098 3-alpha-D-Mannosylheteroglycan C2H3O3R 127.0633 NA KEGG NA NA +C04099 1,4-alpha-D-Glucooligosaccharide C2H3O3R 127.0633 NA KEGG NA NA +C08268 L-Baikiain C6H9NO2 127.0633 NA KEGG NA NA +C08292 alpha-(Methylenecyclopropyl)glycine C6H9NO2 127.0633 NA KEGG NA NA +C10149 Guvacine C6H9NO2 127.0633 NA KEGG NA NA +C13694 Isoguvacine C6H9NO2 127.0633 NA KEGG NA NA +MJ001060 2,3,4,5-Tetrahydropyridine-2-carboxylate C6H9NO2 127.063328 NA MeJP NA NA +MJ001061 delta1-Piperideine-2-carboxylate C6H9NO2 127.063328 NA MeJP NA NA +MJ001062 1,2,3,6-Tetrahydro-2-pyridinecarboxylic acid C6H9NO2 127.063328 NA MeJP NA NA +MJ001063 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid C6H9NO2 127.063328 NA MeJP NA NA +MJ001064 1,2,5,6-Tetrahydro-3-pyridinecarboxylic acid C6H9NO2 127.063328 NA MeJP NA NA +MJ001065 2-Amino-3,5-hexadienoic acid C6H9NO2 127.063328 NA MeJP NA NA +MJ001066 2-Amino-3-methylene-4-pentenoic acid C6H9NO2 127.063328 NA MeJP NA NA +MJ001067 2-Amino-4,5-hexadienoic acid C6H9NO2 127.063328 NA MeJP NA NA +MJ001068 2-Amino-4-hexynoic acid C6H9NO2 127.063328 NA MeJP NA NA +MJ001069 2-Amino-5-hexynoic acid C6H9NO2 127.063328 NA MeJP NA NA +MJ001070 2-Azabicyclo[2.1.1]hexane-1-carboxylic acid C6H9NO2 127.063328 NA MeJP NA NA +MJ001071 3,4,5,6-Tetrahydro-2-pyridinecarboxylic acid C6H9NO2 127.063328 NA MeJP NA NA +MJ001072 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid C6H9NO2 127.063328 NA MeJP NA NA +MJ001073 4-Methylene-2-pyrrolidinecarboxylic acid C6H9NO2 127.063328 NA MeJP NA NA +MJ001074 Jatropham, Me ether C6H9NO2 127.063328 NA MeJP NA NA +MJ001075 ?-(Methylenecyclopropyl)glycine C6H9NO2 127.063328 NA MeJP NA NA +MetaCyc00574 Δ6-piperideine-2-carboxylate [Δ6-piperideine-2-L-carboxylate;] C6H9N1O2 127.063329 NA metacyc NA NA +MetaCyc00575 Δ1-piperideine-2-carboxylate [2,3,4,5-tetrahydropyridine-2-carboxylate;1,2-didehydropiperidine-2-carboxylate;] C6H9N1O2 127.063329 2756-89-0 metacyc NA NA +MetaCyc00576 N-ethylsuccinimide [ethylsuccinimide;succinimide, N-ethyl;] C6H9N1O2 127.063329 NA metacyc NA NA +MetaCyc00577 Δ1-piperidine-6-carboxylate [Δ1-piperidine-6-carboxylic acid;2,3,4,5-tetrahydropyridine-2-carboxylate;] C6H9N1O2 127.063329 NA metacyc NA NA +HMDB01084 D-1-Piperideine-2-carboxylic acid C6H9NO2 127.06333 http://www.hmdb.ca/metabolites/HMDB01084 HMDB NA NA +HMDB01084 D-1-Piperideine-2-carboxylic acid C6H9NO2 127.06333 HMDB01084 PFEM_hmdb_metabocards_official NA NA +HMDB01084 D-1-Piperideine-2-carboxylic acid C6H9NO2 127.063332 NA HMDB2010 NA NA +HMDB12130 (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate C6H9NO2 127.063332 NA HMDB2010 NA NA +CJpos0194 Dihydroxyphenylethyleneglycol isomer [(M+H)-(CO2)]+ (13C) C613CH11O2 127.070875 C18rt(min)=5.3 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0194 Dihydroxyphenylethyleneglycol isomer [(M+H)-(CO2)]+ (13C) C613CH11O2 127.070875 C18rt(min)=5.3 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0195 N-Acetylleucine [(M+H)-(HCOOH)]+ C7H14NO 127.099175 C18rt(min)=6.23 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0195 N-Acetylleucine [(M+H)-(HCOOH)]+ C7H14NO 127.099175 C18rt(min)=6.23 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C11519 N-Cyclohexylformamide C7H13NO 127.0997 NA KEGG NA NA +MJ001076 Hygrine, N-De-Me C7H13NO 127.099714 NA MeJP NA NA +MetaCyc00578 N-cyclohexylformamide [] C7H13N1O1 127.099714 NA metacyc NA NA +C08303 Galegine C6H13N3 127.1109 NA KEGG NA NA +MJ001077 Galegine C6H13N3 127.110947 NA MeJP NA NA +MetaCyc00579 1-(3-aminopropyl)-pyrrolinium [] C7H15N2 127.123523 NA metacyc NA NA +MJ001078 2,6-Dimethylpiperidine, N-Me C8H17N 127.136099 NA MeJP NA NA +MJ001079 2-Cyclohexylethylamine C8H17N 127.136099 NA MeJP NA NA +MJ001080 2-Propylpiperidine C8H17N 127.136099 NA MeJP NA NA +C06523 Coniine C8H17N 127.1361 NA KEGG NA NA +MetaCyc00580 NiCl2 [NiCl2;Nickel Chloride;dichloronickel;] CL2NI1 127.873053 NA metacyc NA NA +C14711 Nickel chloride NiCl2 127.8731 NA KEGG NA NA +MetaCyc00581 selenite [] O3SE1 127.901266 NA metacyc NA NA +HMDB11119 Selenite O3Se 127.901268 NA HMDB2010 NA NA +C05684 Selenite SeO3 127.9013 NA KEGG NA NA +C02661 Bromochloromethane CH2BrCl 127.9028 NA KEGG NA NA +C02664 Cobra venom factor CH2BrCl 127.9028 NA KEGG NA NA +C02665 Collagen alpha1(I) CH2BrCl 127.9028 NA KEGG NA NA +MJ001081 Bromochloromethane CH2BrCl 127.90284 NA MeJP NA NA +MetaCyc00582 bromochloromethane [Methylene chlorobromide;] C1H2CL1BR1 127.90284 74-97-5 metacyc NA NA +C05590 HI HI 127.9123 NA KEGG NA NA +MetaCyc00583 dithionite [S2O42-;] O4S2 127.9238 NA metacyc NA NA +C17478 Calcium oxalate C2O4 127.9423 NA KEGG NA NA +C11149 Dichloroacetate C2H2Cl2O2 127.9432 NA KEGG NA NA +MJ001082 1,3-Dichloro-2-propanol C3H6Cl2O 127.97957 NA MeJP NA NA +C14399 1,3-Dichloro-2-propanol C3H6Cl2O 127.9796 NA KEGG NA NA +MJ001083 4-Chlorophenol C6H5ClO 128.002892 NA MeJP NA NA +C02124 4-Chlorophenol C6H5ClO 128.0029 NA KEGG NA NA +C02125 4-Nitroanilide C7H5N2O3R 128.0029 NA KEGG NA NA +C14219 2-Chlorophenol C6H5ClO 128.0029 NA KEGG NA NA +C14270 3-Chlorophenol C6H5ClO 128.0029 NA KEGG NA NA +MJ001084 2,3-Dihydro-2-thioxo-4(1H)-pyrimidinone C4H4N2OS 128.004433 NA MeJP NA NA +MJ001085 2-Hydroxy-4-mercaptopyrimidine C4H4N2OS 128.004433 NA MeJP NA NA +JH120 Citric acid [M+H-HCOOH-H2O]+ NA 128.0109 2.57 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH120 Citric acid [M+H-HCOOH-H2O]+ NA 128.0109 2.57 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH120 Citric acid [M+H-HCOOH-H2O]+ NA 128.0109 2.57 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH120 Citric acid [M+H-HCOOH-H2O]+ NA 128.0109 2.57 Inhousejuil11 NA NA +MJ001086 3,5-Dihydroxy-4H-pyran-4-one C5H4O4 128.010958 NA MeJP NA NA +MJ001087 Barbiturate C4H4N2O3 128.022192 NA MeJP NA NA +MJ001088 2,3-Dihydro-2-oxo-1H-imidazole-4-carboxylic acid C4H4N2O3 128.022192 NA MeJP NA NA +MetaCyc00584 barbiturate [] C4H4N2O3 128.022192 NA metacyc NA NA +C00813 Barbiturate C4H4N2O3 128.0222 NA KEGG NA NA +C11116 Methylparabanic acid C4H4N2O3 128.0222 NA KEGG NA NA +MJ001089 2-Nonene-4,6,8-triynal C9H4O 128.026214 NA MeJP NA NA +C16472 3-Fluorocatechol C6H5FO2 128.0274 NA KEGG NA NA +C16473 4-Fluorocatechol C6H5FO2 128.0274 NA KEGG NA NA +MJ001090 2-Furanmethanethiol; S-Me C6H8OS 128.029585 NA MeJP NA NA +C08734 2,4-Dihydroxy-6-amino-1,3,5-triazine C3H4N4O2 128.0334 NA KEGG NA NA +MetaCyc00585 ammelide [ammedlide;2,4-dihydroxy-6-amino-1,3,5-triazine;6-amino-1,3,5-triazine-2,4-diol;] C3H4N4O2 128.033425 NA metacyc NA NA +C17927 Thiazolylethylamine C5H8N2S 128.0408 NA KEGG NA NA +MJ001091 2-(2-Aminoethyl)thiazole C5H8N2S 128.040818 NA MeJP NA NA +CJpos0196 Adipoylcarnitine [(M+H)-NC3H9-C4H4O2-H2O]+ C6H9O3 128.046775 C18rt(min)=5.25 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0197 Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H2O)]+ C6H9O3 128.046775 C18rt(min)=5.3 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0198 Hydroxysuberic acid isomer [(M+H)-(C2H6O2)]+ C6H9O3 128.046775 C18rt(min)=4.9 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0196 Adipoylcarnitine [(M+H)-NC3H9-C4H4O2-H2O]+ C6H9O3 128.046775 C18rt(min)=5.25 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0197 Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H2O)]+ C6H9O3 128.046775 C18rt(min)=5.3 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0198 Hydroxysuberic acid isomer [(M+H)-(C2H6O2)]+ C6H9O3 128.046775 C18rt(min)=4.9 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C01125 Dihydro-4,4-dimethyl-2,3-Furandione C6H8O3 128.0473 NA KEGG NA NA +C06719 Dihydrophloroglucinol C6H8O3 128.0473 NA KEGG NA NA +C06761 (4E)-2-Oxohexenoic acid C6H8O3 128.0473 NA KEGG NA NA +C11354 2-Hydroxy-cis-hex-2,4-dienoate C6H8O3 128.0473 NA KEGG NA NA +MJ001092 2-Oxohex-trans-4-enoate C6H8O3 128.047344 NA MeJP NA NA +MJ001093 2,5-Furandimethanol C6H8O3 128.047344 NA MeJP NA NA +MJ001094 3-Hydroxy-4,5-dimethyl-2(5H)-furanone C6H8O3 128.047344 NA MeJP NA NA +MJ001095 4,5-Dihydroxy-3-methyl-2-cyclopenten-1-one C6H8O3 128.047344 NA MeJP NA NA +MJ001096 4-Hydroxy-2,5-dimethyl-3(2H)-furanone C6H8O3 128.047344 NA MeJP NA NA +MJ001097 5,6-Dihydro-4-methoxy-2H-pyran-2-one C6H8O3 128.047344 NA MeJP NA NA +MJ001098 5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one C6H8O3 128.047344 NA MeJP NA NA +MJ001099 5-(1-Hydroxyethyl)-2(5H)-furanone C6H8O3 128.047344 NA MeJP NA NA +MJ001100 5-Acetyltetrahydro-2(3H)-furanone C6H8O3 128.047344 NA MeJP NA NA +MJ001101 5-Hydroxymethyl-4-methyl-2(5H)-furanone C6H8O3 128.047344 NA MeJP NA NA +MetaCyc00586 dihydrophloroglucinol [] C6H8O3 128.047344 NA metacyc NA NA +MetaCyc00587 2-oxopantoyl lactone [2-dehydropantolactone;2-dehydropantoyl lactone;] C6H8O3 128.047344 NA metacyc NA NA +CJneg0078 2,2-dimethylsuccinic acid [(M-H)-(H2O)]- C6H7O3 128.047925 C18rt(min)=5.63 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0078 2,2-dimethylsuccinic acid [(M-H)-(H2O)]- C6H7O3 128.047925 C18rt(min)=5.63 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0199 Dihydrothymine [(M+H)]+ C5H9N2O2 128.058075 C18rt(min)=1.05 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0200 Dihydrothymine isomer [(M+H)]+ C5H9N2O2 128.058075 C18rt(min)=5.85 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0201 Glutamine [(M+H)-(H2O)]+ C5H9N2O2 128.058075 C18rt(min)=0.87 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0199 Dihydrothymine [(M+H)]+ C5H9N2O2 128.058075 C18rt(min)=1.05 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0200 Dihydrothymine isomer [(M+H)]+ C5H9N2O2 128.058075 C18rt(min)=5.85 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0201 Glutamine [(M+H)-(H2O)]+ C5H9N2O2 128.058075 C18rt(min)=0.87 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ001102 5,6-Dihydrothymine C5H8N2O2 128.058577 NA MeJP NA NA +MJ001103 alpha-Amino-gamma-cyanobutanoate C5H8N2O2 128.058577 NA MeJP NA NA +MJ001104 gamma-Amino-gamma-cyanobutanoate C5H8N2O2 128.058577 NA MeJP NA NA +MJ001105 3-Methyl-2,5-piperazinedione C5H8N2O2 128.058577 NA MeJP NA NA +MJ001106 5(4H)-Isoxazolone; 2H-Oxo-form, N-(2-Aminoethyl) C5H8N2O2 128.058577 NA MeJP NA NA +MJ001107 Squamolone C5H8N2O2 128.058577 NA MeJP NA NA +HMDB00079 Dihydrothymine C5H8N2O2 128.058578 NA HMDB2010 NA NA +MetaCyc00588 dihydro-thymine [dihydrothymine;] C5H8N2O2 128.058578 NA metacyc NA NA +HMDB00079 Dihydrothymine C5H8N2O2 128.05858 http://www.hmdb.ca/metabolites/HMDB00079 PFEM_hmdb_metabocards_urine NA urine +HMDB00079 Dihydrothymine C5H8N2O2 128.05858 http://www.hmdb.ca/metabolites/HMDB00079 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00079 Dihydrothymine C5H8N2O2 128.05858 http://www.hmdb.ca/metabolites/HMDB00079 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00079 Dihydrothymine C5H8N2O2 128.05858 http://www.hmdb.ca/metabolites/HMDB00079 HMDB NA NA +HMDB00079 Dihydrothymine C5H8N2O2 128.05858 HMDB00079 PFEM_hmdb_metabocards_official NA NA +C00906 5,6-Dihydrothymine C5H8N2O2 128.0586 NA KEGG NA NA +C00907 Gelatin type V C5H8N2O2 128.0586 NA KEGG NA NA +C05715 gamma-Amino-gamma-cyanobutanoate C5H8N2O2 128.0586 NA KEGG NA NA +C05717 alpha-Amino-gamma-cyanobutanoate C5H8N2O2 128.0586 NA KEGG NA NA +C05718 2-Oxoacid oxime C2H2NO3R 128.0586 NA KEGG NA NA +C05720 Reduced 2,6-Dichlorophenolindophenol C2H2NO3R 128.0586 NA KEGG NA NA +C05721 Reduced methylene blue C2H2NO3R 128.0586 NA KEGG NA NA +C05723 Poly-gamma-D-glutamate C2H2NO3R 128.0586 NA KEGG NA NA +C05726 S-Substituted L-cysteine C3H6NO2SR 128.0586 NA KEGG NA NA +C05727 S-Substituted N-acetyl-L-cysteine C5H8NO3SR 128.0586 NA KEGG NA NA +C05729 R-S-Cysteinylglycine C5H9N2O3SR 128.0586 NA KEGG NA NA +CJneg0079 Dihydrothymine isomer [(M-H)]- C5H7N2O2 128.059125 C18rt(min)=5.85 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0079 Dihydrothymine isomer [(M-H)]- C5H7N2O2 128.059125 C18rt(min)=5.85 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +C00829 Naphthalene C10H8 128.0626 NA KEGG NA NA +C13392 Azulene C10H8 128.0626 NA KEGG NA NA +C13393 Transferred to D02405 C10H8 128.0626 NA KEGG NA NA +C13394 Transferred to D01918 C10H8 128.0626 NA KEGG NA NA +C13395 Transferred to D01919 C10H8 128.0626 NA KEGG NA NA +C13396 Transferred to D01920 C10H8 128.0626 NA KEGG NA NA +C13397 Transferred to D01921 C10H8 128.0626 NA KEGG NA NA +C13398 Transferred to D01922 C10H8 128.0626 NA KEGG NA NA +C13399 Transferred to D01923 C10H8 128.0626 NA KEGG NA NA +MJ001108 Azulene C10H8 128.0626 NA MeJP NA NA +MJ001109 Naphthalene C10H8 128.0626 NA MeJP NA NA +MetaCyc00589 naphthalene [naphthalene-ring;] C10H8 128.0626 91-20-3 metacyc NA NA +C08487 Ethyl 2-methylbut-2-enoate C7H12O2 128.0837 NA KEGG NA NA +C09822 Cyclohexane-1-carboxylate C7H12O2 128.0837 NA KEGG NA NA +C10921 Butyl acrylate C7H12O2 128.0837 NA KEGG NA NA +C10976 1-Oxa-2-oxo-3-methylcycloheptane C7H12O2 128.0837 NA KEGG NA NA +C11950 3-Isopropylbut-3-enoic acid C7H12O2 128.0837 NA KEGG NA NA +C13714 alpha-EMGBL C7H12O2 128.0837 NA KEGG NA NA +C13717 beta-EMGBL C7H12O2 128.0837 NA KEGG NA NA +MJ001110 1-Hydroxy-3-methylene-2-pentanone; Me ether C7H12O2 128.083729 NA MeJP NA NA +MJ001111 2-Hexenoic acid, Me ester C7H12O2 128.083729 NA MeJP NA NA +MJ001112 2-Methyl-2-butenoic acid, Et ester C7H12O2 128.083729 NA MeJP NA NA +MJ001113 3,4-Heptanedione C7H12O2 128.083729 NA MeJP NA NA +MJ001114 3-Hexen-1-ol, Formyl C7H12O2 128.083729 NA MeJP NA NA +MJ001115 3-Hexenoic acid, Me ester C7H12O2 128.083729 NA MeJP NA NA +MJ001116 3-Methyl-2-buten-1-ol; Ac C7H12O2 128.083729 NA MeJP NA NA +MJ001117 3-Methyl-2-hexenoic acid C7H12O2 128.083729 NA MeJP NA NA +MJ001118 4-Heptenoic acid C7H12O2 128.083729 NA MeJP NA NA +MJ001119 5-Methyl-2,3-hexanedione C7H12O2 128.083729 NA MeJP NA NA +MJ001120 Cyclohexanecarboxylic acid C7H12O2 128.083729 NA MeJP NA NA +MJ001121 Dihydro-5-propyl-2(3H)-furanone C7H12O2 128.083729 NA MeJP NA NA +MJ001122 Tetrahydro-3,6-dimethyl-2H-pyran-2-one C7H12O2 128.083729 NA MeJP NA NA +MetaCyc00590 cyclohexane-1-carboxylate [] C7H12O2 128.08373 NA metacyc NA NA +MJ001123 2-Piperidinecarboxylic acid, Amide C6H12N2O 128.094963 NA MeJP NA NA +MetaCyc00591 L-2-amino-hexano-6-lactam [] C6H12N2O1 128.094963 NA metacyc NA NA +MetaCyc00592 D-2-amino-hexano-6-lactam [] C6H12N2O1 128.094963 NA metacyc NA NA +MetaCyc00593 L-lysine 1,6-lactam [] C6H12N2O1 128.094963 NA metacyc NA NA +C02837 L-Lysine 1,6-lactam C6H12N2O 128.095 NA KEGG NA NA +C05328 D-2-Amino-hexano-6-lactam C6H12N2O 128.095 NA KEGG NA NA +C05329 (2R)-2-Methylacyl-CoA C24H39N7O17P3SR 128.095 NA KEGG NA NA +C01545 1-Octanal C8H16O 128.1201 NA KEGG NA NA +C07288 Sulcatol C8H16O 128.1201 NA KEGG NA NA +C14272 1-Octen-3-ol C8H16O 128.1201 NA KEGG NA NA +C17145 3-Octanone C8H16O 128.1201 NA KEGG NA NA +MJ001124 1-Octen-3-ol C8H16O 128.120115 NA MeJP NA NA +MJ001125 2,5-Diethyltetrahydrofuran C8H16O 128.120115 NA MeJP NA NA +MJ001126 2-Ethylhexanal C8H16O 128.120115 NA MeJP NA NA +MJ001127 2-Octanone C8H16O 128.120115 NA MeJP NA NA +MJ001128 2-Octen-1-ol C8H16O 128.120115 NA MeJP NA NA +MJ001129 3-Octanone C8H16O 128.120115 NA MeJP NA NA +MJ001130 3-Octen-1-ol C8H16O 128.120115 NA MeJP NA NA +MJ001131 4-Methyl-3-heptanone C8H16O 128.120115 NA MeJP NA NA +MJ001132 5-Methyl-3-heptanone C8H16O 128.120115 NA MeJP NA NA +MJ001133 5-Octen-1-ol C8H16O 128.120115 NA MeJP NA NA +MJ001134 6-Methyl-2-heptanone C8H16O 128.120115 NA MeJP NA NA +MJ001135 6-Methyl-2-hepten-4-ol C8H16O 128.120115 NA MeJP NA NA +MJ001136 6-Methyl-5-hepten-2-ol C8H16O 128.120115 NA MeJP NA NA +MJ001137 7-Octen-4-ol C8H16O 128.120115 NA MeJP NA NA +MJ001138 Octanal C8H16O 128.120115 NA MeJP NA NA +MetaCyc00594 1-octanal [1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde;] C8H16O1 128.120115 124-13-0 metacyc NA NA +HMDB01140 Octanal C8H16O 128.120117 NA HMDB2010 NA NA +HMDB01140 Octanal C8H16O 128.12012 http://www.hmdb.ca/metabolites/HMDB01140 HMDB NA NA +HMDB01140 Octanal C8H16O 128.12012 HMDB01140 PFEM_hmdb_metabocards_official NA NA +CJpos0202 Spermidine [(M+H)-(NH3)]+ C7H17N2 128.130775 C18rt(min)=0.71 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0202 Spermidine [(M+H)-(NH3)]+ C7H17N2 128.130775 C18rt(min)=0.71 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ001139 (Cyclohexylmethyl)hydrazine C7H16N2 128.131348 NA MeJP NA NA +MJ001140 Nonane C9H20 128.1565 NA MeJP NA NA +MJ001141 2,2,3,4-Tetramethylpentane C9H20 128.1565 NA MeJP NA NA +MJ001142 2,3,4-Trimethylhexane C9H20 128.1565 NA MeJP NA NA +MJ001143 2-Methyloctane C9H20 128.1565 NA MeJP NA NA +MJ001144 3,4-Dimethylheptane C9H20 128.1565 NA MeJP NA NA +MJ001145 3,5-Dimethylheptane C9H20 128.1565 NA MeJP NA NA +HMDB00086 Glycerophosphocholine C8H20NO6P 128.551407 MH2+ Inhouse_peptide NA peptide +3375 ACE inhibitor AAP 128.563 MH2+ Inhouse_peptide NA peptide +MJ001146 Cobalt(II) chloride (CoCl2) Cl2Co 128.870905 NA MeJP NA NA +MetaCyc00595 CoCl2 [Cobaltous Chloride;dichlorocobalt;] CL2COBALT1 128.870906 NA metacyc NA NA +C06554 Cyanuric acid C3H3N3O3 129.0174 NA KEGG NA NA +MetaCyc00596 cyanurate [cyanuric acid;sym-triazine-2,4,6-triol;sym-triazinetriol;triazinetriol;1,3,5-triazine-2,4,6(1H,3H,5H)-trione;triazine-2,4,6(1H,3H,5H)-trione;triazine-2,4,6-triol;1,3,5-triazine-2,4,6-triol;triazinetrione;trihydroxycyanidine;trihydroxy-1,3,5-triazine;2,4,6-trihydroxy-1,3,5-triazine;pseudocyanuric acid;tricarbimide;tricyanic acid;isocyanuric acid;] C3H3N3O3 129.017441 108-80-5 metacyc NA NA +C16817 Goitrin C5H7NOS 129.0248 NA KEGG NA NA +MJ001147 5-Vinyl-2-oxazolidinethione C5H7NOS 129.024834 NA MeJP NA NA +MJ001148 4-Amino-5-fluoro-2-hydroxypyrimidine C4H4FN3O 129.033839 NA MeJP NA NA +EUR307 glutathione oxidized F9 F9 129.036675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR307 Gluthation oxyde F9 NA 129.036675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR307 glutathione oxidized F9 F9 129.036675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR307 Gluthation oxyde F9 NA 129.036675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR307 glutathione oxidized F9 F9 129.036675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR307 Gluthation oxyde F9 NA 129.036675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR307 glutathione oxidized F9 F9 129.036675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR307 glutathione oxidized F9 F9 129.036675 standards wishlist analysés sur QTOF HMDB NA NA +EUR307 glutathione oxidized F9 F9 129.036675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR307 Gluthation oxyde F9 NA 129.036675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR307 glutathione oxidized F9 F9 129.036675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR307 glutathione oxidized F9 F9 129.036675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +JH039 Glutamine [M+H-NH3]+ NA 129.037 1.28 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH039 Glutamine [M+H-NH3]+ NA 129.037 1.28 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH039 Glutamine [M+H-NH3]+ NA 129.037 1.28 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH039 Glutamine [M+H-NH3]+ NA 129.037 1.28 Inhousejuil11 NA NA +EUR220 Glutamic acid F2 F2 129.039475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR220 Acide Glutamique F2 NA 129.039475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR220 Glutamic acid F2 F2 129.039475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR220 Acide Glutamique F2 NA 129.039475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR220 Glutamic acid F2 F2 129.039475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR220 Acide Glutamique F2 NA 129.039475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR220 Glutamic acid F2 F2 129.039475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR220 Glutamic acid F2 F2 129.039475 standards wishlist analysés sur QTOF HMDB NA NA +EUR220 Glutamic acid F2 F2 129.039475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR220 Acide Glutamique F2 NA 129.039475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR220 Glutamic acid F2 F2 129.039475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR220 Glutamic acid F2 F2 129.039475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +JH041 Glutamic acid [M+H-H20]+ NA 129.0406 1.23 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH041 Glutamic acid [M+H-H20]+ NA 129.0406 1.23 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH041 Glutamic acid [M+H-H20]+ NA 129.0406 1.23 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH041 Glutamic acid [M+H-H20]+ NA 129.0406 1.23 Inhousejuil11 NA NA +JH144 Alanyl glutamine [glutamine-NH3]+ NA 129.0412 1.12 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH144 Alanyl glutamine [glutamine-NH3]+ NA 129.0412 1.12 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH144 Alanyl glutamine [glutamine-NH3]+ NA 129.0412 1.12 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH144 Alanyl glutamine [glutamine-NH3]+ NA 129.0412 1.12 Inhousejuil11 NA NA +CJpos0203 Oxoproline [(M+H)]+ C5H8NO3 129.042075 C18rt(min)=1.7 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0204 Phenylacetylglutamine [(M+H)-(C8H9NO)]+ C5H8NO3 129.042075 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0205 Oxoproline [(M+H)]+ C5H8NO3 129.042075 C18rt(min)=1.05 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0206 Oxoproline isomer [(M+H)]+ C5H8NO3 129.042075 C18rt(min)=5.8 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0203 Oxoproline [(M+H)]+ C5H8NO3 129.042075 C18rt(min)=1.7 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0204 Phenylacetylglutamine [(M+H)-(C8H9NO)]+ C5H8NO3 129.042075 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0205 Oxoproline [(M+H)]+ C5H8NO3 129.042075 C18rt(min)=1.05 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0206 Oxoproline isomer [(M+H)]+ C5H8NO3 129.042075 C18rt(min)=5.8 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +HMDB00267 Pyroglutamic acid C5H7NO3 129.042587 NA HMDB2010 NA NA +HMDB00805 Pyrrolidonecarboxylic acid C5H7NO3 129.042587 NA HMDB2010 NA NA +HMDB01369 Pyrroline hydroxycarboxylic acid C5H7NO3 129.042587 NA HMDB2010 NA NA +HMDB01843 N-Acryloylglycine C5H7NO3 129.042587 NA HMDB2010 NA NA +HMDB02234 1-Pyrroline-4-hydroxy-2-carboxylate C5H7NO3 129.042587 NA HMDB2010 NA NA +HMDB00267 Pyroglutamic acid C5H7NO3 129.04259 http://www.hmdb.ca/metabolites/HMDB00267 PFEM_hmdb_metabocards_urine NA urine +HMDB00267 Pyroglutamic acid C5H7NO3 129.04259 http://www.hmdb.ca/metabolites/HMDB00267 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00267 Pyroglutamic acid C5H7NO3 129.04259 http://www.hmdb.ca/metabolites/HMDB00267 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00267 Pyroglutamic acid C5H7NO3 129.04259 http://www.hmdb.ca/metabolites/HMDB00267 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00267 Pyroglutamic acid C5H7NO3 129.04259 http://www.hmdb.ca/metabolites/HMDB00267 HMDB NA NA +HMDB00805 Pyrrolidonecarboxylic acid C5H7NO3 129.04259 http://www.hmdb.ca/metabolites/HMDB00805 HMDB NA NA +HMDB01369 Pyrroline hydroxycarboxylic acid C5H7NO3 129.04259 http://www.hmdb.ca/metabolites/HMDB01369 HMDB NA NA +HMDB01843 N-Acryloylglycine C5H7NO3 129.04259 http://www.hmdb.ca/metabolites/HMDB01843 HMDB NA NA +HMDB02234 1-Pyrroline-4-hydroxy-2-carboxylate C5H7NO3 129.04259 http://www.hmdb.ca/metabolites/HMDB02234 HMDB NA NA +HMDB00267 Pyroglutamic acid C5H7NO3 129.04259 NA ;SYN:2-Amino-3-hydroxybenzoate; 2-Amino-3-hydroxybenzoic acid; 2-amino-3-hydroxy-Benzoate; 2-amino-3-hydroxy-Benzoic acid; 3-Hydroxy-2-aminobenzoate; 3-Hydroxy-2-aminobenzoic acid; 3-Hydroxy-anthranilsaeure; 3-hydroxyanthranilic acid; 3-Hydroxyanthranilate; 3-OHAA; 3-OH-anthranilic acid; 3-Oxyanthranilate; 3-Oxyanthranilic acid; 3-hydroxanthranilate; 3-hydroxyantranilic acid; 3-hydroxy-Anthranilate; 3-hydroxy-Anthranilic acidH2Blood; Urine Inhouse_peptide NA peptide +HMDB00267 Pyroglutamic acid C5H7NO3 129.04259 http://www.hmdb.ca/metabolites/HMDB00267 PFEM_hmdb_metabocards_blood NA blood +HMDB00267 Pyroglutamic acid C5H7NO3 129.04259 HMDB00267 PFEM_hmdb_metabocards_official NA NA +HMDB00805 Pyrrolidonecarboxylic acid C5H7NO3 129.04259 HMDB00805 PFEM_hmdb_metabocards_official NA NA +HMDB01369 Pyrroline hydroxycarboxylic acid C5H7NO3 129.04259 HMDB01369 PFEM_hmdb_metabocards_official NA NA +HMDB01843 N-Acryloylglycine C5H7NO3 129.04259 HMDB01843 PFEM_hmdb_metabocards_official NA NA +HMDB02234 1-Pyrroline-4-hydroxy-2-carboxylate C5H7NO3 129.04259 HMDB02234 PFEM_hmdb_metabocards_official NA NA +MJ001149 2-Amino-3-hydroxy-4-pentynoic acid C5H7NO3 129.042593 NA MeJP NA NA +MJ001150 3,4-Dihydro-4-hydroxy-2H-pyrrole-2-carboxylic acid C5H7NO3 129.042593 NA MeJP NA NA +MJ001151 4-Oxo-2-pyrrolidinecarboxylic acid C5H7NO3 129.042593 NA MeJP NA NA +MJ001152 5,5-Dimethyl-2,4-oxazolidinedione C5H7NO3 129.042593 NA MeJP NA NA +MJ001153 5-Oxo-2-pyrrolidinecarboxylic acid C5H7NO3 129.042593 NA MeJP NA NA +MJ001154 ?-Oxo-1-azetidineacetic acid C5H7NO3 129.042593 NA MeJP NA NA +MJ001155 1-Pyrroline-4-hydroxy-2-carboxylate C5H7NO3 129.042593 NA MeJP NA NA +MJ001156 4-Oxoproline C5H7NO3 129.042593 NA MeJP NA NA +MJ001157 5-Oxo-D-proline C5H7NO3 129.042593 NA MeJP NA NA +MJ001158 5-Oxoproline C5H7NO3 129.042593 NA MeJP NA NA +MJ001159 L-1-Pyrroline-3-hydroxy-5-carboxylate C5H7NO3 129.042593 NA MeJP NA NA +MetaCyc00597 pyrroline-hydroxy-carboxylate [L-Δ1-pyrroline 3-hydroxy-5-carboxylate;] C5H7N1O3 129.042593 NA metacyc NA NA +MetaCyc00598 pyrrolidone-carboxylate [pyrrolidone-COO;] C5H7N1O3 129.042593 98-79-3 metacyc NA NA +MetaCyc00599 5-oxo-D-proline [D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid;] C5H7N1O3 129.042593 4042-36-8 metacyc NA NA +MetaCyc00600 1-pyrroline-4-hydroxy-2-carboxylate [] C5H7N1O3 129.042593 NA metacyc NA NA +MetaCyc00601 5-oxoproline [L-5-pyrrolidone-2-carboxylic acid;L-pyroglutamic acid;5-oxo-L-proline;pyroglutamic acid;pyroglutamate;5-pyrrolidone-2-carboxylic acid;] C5H7N1O3 129.042593 98-79-3 metacyc NA NA +MetaCyc00602 4-oxoproline [4-oxopyrrolidine-2-carboxylic acid;] C5H7N1O3 129.042593 NA metacyc NA NA +EUR607 L-Pyroglutamic acid [M+H]+ 129.0426 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR607 L-Pyroglutamic acid [M+H]+ 129.0426 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR607 L-Pyroglutamic acid [M+H]+ 129.0426 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR607 L-Pyroglutamic acid [M+H]+ 129.0426 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C01877 4-Oxoproline C5H7NO3 129.0426 NA KEGG NA NA +C01879 5-Oxoproline C5H7NO3 129.0426 NA KEGG NA NA +C02237 5-Oxo-D-proline C5H7NO3 129.0426 NA KEGG NA NA +C04281 L-1-Pyrroline-3-hydroxy-5-carboxylate C5H7NO3 129.0426 NA KEGG NA NA +C04282 1-Pyrroline-4-hydroxy-2-carboxylate C5H7NO3 129.0426 NA KEGG NA NA +C04283 2'-Deoxyribonucleoside triphosphate C5H12O12P3R 129.0426 NA KEGG NA NA +JH018 Pyroglutamic acid (DL) [M+H]+ C5H7NO3 129.0427 2.45 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH018 Pyroglutamic acid (DL) [M+H]+ C5H7NO3 129.0427 2.45 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH018 Pyroglutamic acid (DL) [M+H]+ C5H7NO3 129.0427 2.45 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH018 Pyroglutamic acid (DL) [M+H]+ C5H7NO3 129.0427 2.45 Inhousejuil11 NA NA +CJneg0080 Oxoproline [(M-H)]- C5H6NO3 129.043125 C18rt(min)=1.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0081 Oxoproline [(M-H)]- C5H6NO3 129.043125 C18rt(min)=1.05 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0082 N-Acetylaspartic acid [(M-H)-(HCOOH)]- C5H6NO3 129.043125 C18rt(min)=1.04 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0080 Oxoproline [(M-H)]- C5H6NO3 129.043125 C18rt(min)=1.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0081 Oxoproline [(M-H)]- C5H6NO3 129.043125 C18rt(min)=1.05 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0082 N-Acetylaspartic acid [(M-H)-(HCOOH)]- C5H6NO3 129.043125 C18rt(min)=1.04 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MLBis019 Pyroglutamic acid HMDB00267_RT3.2_add84 129.0432 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis019 Pyroglutamic acid HMDB00267_RT3.2_add84 129.0432 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis019 Pyroglutamic acid HMDB00267_RT3.2_add84 129.0432 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis019 Pyroglutamic acid HMDB00267_RT3.2_add84 129.0432 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis019 Pyroglutamic acid HMDB00267_RT3.2_add84 129.0432 Mlbis HMDB NA NA +MLBis019 Pyroglutamic acid HMDB00267_RT3.2_add84 129.0432 Mlbis Inhouse_PFEM NA NA +MLBis019 Pyroglutamic acid NA 129.0432 130.0504 Inhouse_sept12 NA NA +MLBis019 Pyroglutamic acid HMDB00267_RT3.2_add84 129.0432 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis019 Pyroglutamic acid HMDB00267_RT3.2_add84 129.0432 Mlbis PFEM_hmdb_metabocards_official NA NA +CJpos0207 Hydroxysuberic acid isomer [(M+H)-(C2H6O2)]+ (13C) C513CH9O3 129.050175 C18rt(min)=4.9 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0208 Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H2O)]+ (13C) C513CH9O3 129.050175 C18rt(min)=5.3 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0207 Hydroxysuberic acid isomer [(M+H)-(C2H6O2)]+ (13C) C513CH9O3 129.050175 C18rt(min)=4.9 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0208 Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H2O)]+ (13C) C513CH9O3 129.050175 C18rt(min)=5.3 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C06323 Isoquinoline C9H7N 129.0578 NA KEGG NA NA +C06413 Quinoline C9H7N 129.0578 NA KEGG NA NA +HMDB11664 3-Methylene-indolenine C9H7N 129.057846 NA HMDB2010 NA NA +MJ001160 Isoquinoline C9H7N 129.057849 NA MeJP NA NA +MJ001161 Quinoline C9H7N 129.057849 NA MeJP NA NA +MetaCyc00603 quinoline [] C9H7N1 129.057849 91-22-5 metacyc NA NA +MetaCyc00604 isoquinoline [] C9H7N1 129.057849 119-65-3 metacyc NA NA +MJ001162 1-Isothiocyanato-2-methylbutane C6H11NS 129.06122 NA MeJP NA NA +MJ001163 1-Isothiocyanato-3-methylbutane C6H11NS 129.06122 NA MeJP NA NA +MJ001164 1-Isothiocyanatopentane C6H11NS 129.06122 NA MeJP NA NA +MJ001165 2,5-Dihydro-2,4,5-trimethylthiazole C6H11NS 129.06122 NA MeJP NA NA +MJ001166 5-Mercaptopentanoic acid; S-Me, nitrile C6H11NS 129.06122 NA MeJP NA NA +CJpos0209 Pipecolic acid [(M+H)]+ C6H12NO2 129.078475 C18rt(min)=1.06 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0209 Pipecolic acid [(M+H)]+ C6H12NO2 129.078475 C18rt(min)=1.06 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ001167 L-Pipecolate C6H11NO2 129.078978 NA MeJP NA NA +MJ001168 N4-Acetylaminobutanal C6H11NO2 129.078978 NA MeJP NA NA +MJ001169 Nitrobenzene C6H11NO2 129.078978 NA MeJP NA NA +MJ001170 1-Amino-2-ethylcyclopropanecarboxylic acid C6H11NO2 129.078978 NA MeJP NA NA +MJ001171 1-Amino-3-methylcyclobutanecarboxylic acid C6H11NO2 129.078978 NA MeJP NA NA +MJ001172 1-Aminocyclopentanecarboxylic acid C6H11NO2 129.078978 NA MeJP NA NA +MJ001173 2-Amino-3-cyclopropylpropanoic acid C6H11NO2 129.078978 NA MeJP NA NA +MJ001174 2-Amino-3-methyl-3-pentenoic acid C6H11NO2 129.078978 NA MeJP NA NA +MJ001175 2-Amino-3-methylenepentanoic acid C6H11NO2 129.078978 NA MeJP NA NA +MJ001176 2-Amino-4-hexenoic acid C6H11NO2 129.078978 NA MeJP NA NA +MJ001177 2-Amino-5-hexenoic acid C6H11NO2 129.078978 NA MeJP NA NA +MJ001178 2-Aminocyclopentanecarboxylic acid C6H11NO2 129.078978 NA MeJP NA NA +MJ001179 2-Piperidinecarboxylic acid C6H11NO2 129.078978 NA MeJP NA NA +MJ001180 2-Pyrrolidineacetic acid C6H11NO2 129.078978 NA MeJP NA NA +MJ001181 3-Aminocyclopentanecarboxylic acid C6H11NO2 129.078978 NA MeJP NA NA +MJ001182 3-Pyrrolidinecarboxylic acid; N-Me C6H11NO2 129.078978 NA MeJP NA NA +MJ001183 4-Amino-5-hexenoic acid C6H11NO2 129.078978 NA MeJP NA NA +MJ001184 4-Methyl-2-pyrrolidinecarboxylic acid C6H11NO2 129.078978 NA MeJP NA NA +MJ001185 5-Methyl-2-pyrrolidinecarboxylic acid C6H11NO2 129.078978 NA MeJP NA NA +MJ001186 ?-Amino-1-methylcyclopropaneacetic acid C6H11NO2 129.078978 NA MeJP NA NA +MJ001187 4-Azoniaspiro[3.3]heptane-2,6-diol C6H12NO2(+) 129.078978 NA MeJP NA NA +HMDB00070 Pipecolic acid C6H11NO2 129.078979 NA HMDB2010 NA NA +HMDB00716 L-Pipecolic acid C6H11NO2 129.078979 NA HMDB2010 NA NA +HMDB04226 N4-Acetylaminobutanal C6H11NO2 129.078979 NA HMDB2010 NA NA +HMDB05960 D-Pipecolic acid C6H11NO2 129.078979 NA HMDB2010 NA NA +MetaCyc00605 L-pipecolate [pipecolate;] C6H11N1O2 129.078979 3105-95-1 metacyc NA NA +MetaCyc00606 monomethyl proline [] C6H11N1O2 129.078979 NA metacyc NA NA +MetaCyc00607 N-acetyl-4-aminobutanal [N-acetyl-γ-aminobutyraldehyde;] C6H11N1O2 129.078979 NA metacyc NA NA +HMDB00070 Pipecolic acid C6H11NO2 129.07898 http://www.hmdb.ca/metabolites/HMDB00070 PFEM_hmdb_metabocards_urine NA urine +HMDB00070 Pipecolic acid C6H11NO2 129.07898 http://www.hmdb.ca/metabolites/HMDB00070 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00716 L-Pipecolic acid C6H11NO2 129.07898 http://www.hmdb.ca/metabolites/HMDB00716 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05960 D-Pipecolic acid C6H11NO2 129.07898 http://www.hmdb.ca/metabolites/HMDB05960 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00070 Pipecolic acid C6H11NO2 129.07898 http://www.hmdb.ca/metabolites/HMDB00070 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00070 Pipecolic acid C6H11NO2 129.07898 http://www.hmdb.ca/metabolites/HMDB00070 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00070 Pipecolic acid C6H11NO2 129.07898 http://www.hmdb.ca/metabolites/HMDB00070 HMDB NA NA +HMDB00716 L-Pipecolic acid C6H11NO2 129.07898 http://www.hmdb.ca/metabolites/HMDB00716 HMDB NA NA +HMDB04226 N4-Acetylaminobutanal C6H11NO2 129.07898 http://www.hmdb.ca/metabolites/HMDB04226 HMDB NA NA +HMDB05960 D-Pipecolic acid C6H11NO2 129.07898 http://www.hmdb.ca/metabolites/HMDB05960 HMDB NA NA +HMDB00070 Pipecolic acid C6H11NO2 129.07898 NA ;SYN:(+)-pyridinoline; 1-(2S)-(+)-pyridinoline; 4-((2S)-2-amino-2-carboxyethyl)-1-((2R,5S)-5-amino-5-carboxy-2-hydroxypentyl)-3-((3S)-3-amino-3-carboxypropyl)-5-hydroxy-Pyridinium inner salt; Hydroxylysylpyridinoline; PyridinolineH2Blood; Urine Inhouse_peptide NA peptide +HMDB00716 L-Pipecolic acid C6H11NO2 129.07898 NA ;SYN:1H-imidazol-4-ylacetic acid; 1H-Imidazole-4-acetic acid; 4(5)-Imidazoleacetate; 4-Imidazoleacetate; 4-Imidazoleacetic acid; IAA; IMAC; imidazol-4-ylacetic acid; Imidazole acetate; Imidazole-4-acetate; Imidazole-4-acetic acid; Imidazolyl-4-acetic acid; IZC; Lopac-I-0375H2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB05960 D-Pipecolic acid C6H11NO2 129.07898 Long chain acyl carnitines ;SYN:(2E)-Hexadecenoyl-carnitine; trans-2-Hexadecenoyl-carnitineH2Blood Inhouse_peptide NA peptide +HMDB00070 Pipecolic acid C6H11NO2 129.07898 http://www.hmdb.ca/metabolites/HMDB00070 PFEM_hmdb_metabocards_blood NA blood +HMDB00716 L-Pipecolic acid C6H11NO2 129.07898 http://www.hmdb.ca/metabolites/HMDB00716 PFEM_hmdb_metabocards_blood NA blood +HMDB05960 D-Pipecolic acid C6H11NO2 129.07898 http://www.hmdb.ca/metabolites/HMDB05960 PFEM_hmdb_metabocards_blood NA blood +HMDB00070 Pipecolic acid C6H11NO2 129.07898 HMDB00070 PFEM_hmdb_metabocards_official NA NA +HMDB00716 L-Pipecolic acid C6H11NO2 129.07898 HMDB00716 PFEM_hmdb_metabocards_official NA NA +HMDB04226 N4-Acetylaminobutanal C6H11NO2 129.07898 HMDB04226 PFEM_hmdb_metabocards_official NA NA +HMDB05960 D-Pipecolic acid C6H11NO2 129.07898 HMDB05960 PFEM_hmdb_metabocards_official NA NA +C00408 L-Pipecolate C6H11NO2 129.079 NA KEGG NA NA +C03969 1-Aminocyclopentanecarboxylate C6H11NO2 129.079 NA KEGG NA NA +C05936 N4-Acetylaminobutanal C6H11NO2 129.079 NA KEGG NA NA +C07500 Vigabatrin C6H11NO2 129.079 NA KEGG NA NA +C13696 (+)-TACP C6H11NO2 129.079 NA KEGG NA NA +C02647 4-Guanidinobutanal C5H11N3O 129.0902 NA KEGG NA NA +MJ001188 4-Guanidinobutanal C5H11N3O 129.090212 NA MeJP NA NA +MetaCyc00608 4-guanidinobutyraldehyde [γ-4-guanidinobutyraldehyde;4-guanidinobutanal;] C5H11N3O1 129.090212 NA metacyc NA NA +C07151 Metformin C4H11N5 129.1014 NA KEGG NA NA +C07152 Transferred to D00382 C4H11N5 129.1014 NA KEGG NA NA +HMDB01921 1,1-Dimethylbiguanide C4H11N5 129.10144 NA HMDB2010 NA NA +MJ001189 N,N-Dimethylimidodicarbonimidic diamide C4H11N5 129.101445 NA MeJP NA NA +MJ001190 3-Methyl-1-butylamine; N-Ac C7H15NO 129.115364 NA MeJP NA NA +MetaCyc00609 N-methylhexanamide [] C7H15N1O1 129.115364 NA metacyc NA NA +C02722 N-Methylhexanamide C7H15NO 129.1154 NA KEGG NA NA +MJ001191 6-Methyl-2-heptylamine C8H19N 129.151749 NA MeJP NA NA +C01740 Octylamine C8H19N 129.1518 NA KEGG NA NA +3518 ACE inhibitor VAA 129.571 MH2+ Inhouse_peptide NA peptide +7831 ACE inhibitor LQ 129.571 MH2+ Inhouse_peptide NA peptide +7693 ACE inhibitor from wakame KL 129.589 MH2+ Inhouse_peptide NA peptide +8217 Antioxidative peptide LK 129.589 MH2+ Inhouse_peptide NA peptide +HMDB00705 Hexanoylcarnitine C13H25NO4 129.5891725 MH2+ Inhouse_peptide NA peptide +HMDB00756 L-Hexanoylcarnitine C13H25NO4 129.5891725 MH2+ Inhouse_peptide NA peptide +C11906 Sodium arsenite NaAsO2 129.9012 NA KEGG NA NA +HMDB01854 Tellurium [Te]4+ 129.906219 NA HMDB2010 NA NA +HMDB01854 Tellurium Te 129.90622 http://www.hmdb.ca/metabolites/HMDB01854 PFEM_hmdb_metabocards_urine NA urine +HMDB01854 Tellurium Te 129.90622 http://www.hmdb.ca/metabolites/HMDB01854 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01854 Tellurium Te 129.90622 http://www.hmdb.ca/metabolites/HMDB01854 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01854 Tellurium Te 129.90622 http://www.hmdb.ca/metabolites/HMDB01854 HMDB NA NA +HMDB01854 Tellurium Te 129.90622 HMDB01854 PFEM_hmdb_metabocards_official NA NA +MJ001192 Trichloroethylene C2HCl3 129.914383 NA MeJP NA NA +MJ001193 Trichloroethene C2HCl3 129.914383 NA MeJP NA NA +MetaCyc00610 trichloroethene [TCE;trichloroethylene;] C2H1CL3 129.914383 NA metacyc NA NA +C06790 Trichloroethene C2HCl3 129.9144 NA KEGG NA NA +MetaCyc00611 dithiophosphate [] H3O2P1S2 129.931207 NA metacyc NA NA +C14860 2,2-Dichloro-1,1-ethanediol C2H4Cl2O2 129.9588 NA KEGG NA NA +MJ001194 5-Fluoro-2,4(1H,3H)-pyrimidinedione C4H3FN2O2 130.017855 NA MeJP NA NA +C07649 5-FU C4H3FN2O2 130.0179 NA KEGG NA NA +MJ001195 5-(Aminomethyl)-3(2H)-isothiazolone C4H6N2OS 130.020083 NA MeJP NA NA +C00433 2,5-Dioxopentanoate C5H6O4 130.0266 NA KEGG NA NA +C00434 Double-stranded DNA C10H17O8PR2 130.0266 NA KEGG NA NA +C00435 Oxidized rubredoxin C10H17O8PR2 130.0266 NA KEGG NA NA +C00490 Itaconate C5H6O4 130.0266 NA KEGG NA NA +C01732 Mesaconate C5H6O4 130.0266 NA KEGG NA NA +C02132 Acetylpyruvate C5H6O4 130.0266 NA KEGG NA NA +C02133 Acyl phosphate CH2O5PR 130.0266 NA KEGG NA NA +C02214 (E)-Glutaconate C5H6O4 130.0266 NA KEGG NA NA +C02226 2-Methylmaleate C5H6O4 130.0266 NA KEGG NA NA +C02800 4,5-Dioxopentanoate C5H6O4 130.0266 NA KEGG NA NA +MJ001196 4,5-Dioxopentanoic acid C5H6O4 130.026608 NA MeJP NA NA +MJ001197 Fumaric acid; Mono-Me ester C5H6O4 130.026608 NA MeJP NA NA +MJ001198 Methylenebutanedioic acid C5H6O4 130.026608 NA MeJP NA NA +MJ001199 2,5-Dioxopentanoate C5H6O4 130.026608 NA MeJP NA NA +MJ001200 4,5-Dioxopentanoate C5H6O4 130.026608 NA MeJP NA NA +MJ001201 2-Methylmaleate C5H6O4 130.026608 NA MeJP NA NA +MJ001202 Itaconate C5H6O4 130.026608 NA MeJP NA NA +MJ001203 Mesaconate C5H6O4 130.026608 NA MeJP NA NA +MetaCyc00612 mesaconate [2-methylfumarate;mesaconic acid;(E)-2-methyl-2-butanedionic acid;] C5H6O4 130.026609 498-24-8 metacyc NA NA +MetaCyc00613 itaconate [propylenedicarboxylic acid;methylenebutanedioic acid;2-propene-1,2-dicarboxylic acid;methylenesuccinic acid;itaconic acid;itaconate;] C5H6O4 130.026609 97-65-4 metacyc NA NA +MetaCyc00614 glutaconate [(E)-glutaconate;] C5H6O4 130.026609 NA metacyc NA NA +MetaCyc00615 diketovalerate [diketovalerate;] C5H6O4 130.026609 NA metacyc NA NA +MetaCyc00616 2,5-dioxopentanoate [2-ketoglutarate semialdehyde;2-oxoglutarate semialdehyde;α-ketoglutarate semialdehyde;] C5H6O4 130.026609 NA metacyc NA NA +MetaCyc00617 acetylpyruvate [] C5H6O4 130.026609 NA metacyc NA NA +MetaCyc00618 4,5-dioxopentanoate [4-ketoglutarate semialdehyde;4-oxoglutarate semialdehyde;] C5H6O4 130.026609 NA metacyc NA NA +MetaCyc00619 citraconate [2-methylmaleate;citraconic acid;methylmaleic acid;] C5H6O4 130.026609 498-23-7 metacyc NA NA +HMDB00620 Glutaconic acid C5H6O4 130.02661 http://www.hmdb.ca/metabolites/HMDB00620 HMDB NA NA +HMDB00634 Citraconic acid C5H6O4 130.02661 http://www.hmdb.ca/metabolites/HMDB00634 HMDB NA NA +HMDB00749 Mesaconic acid C5H6O4 130.02661 http://www.hmdb.ca/metabolites/HMDB00749 HMDB NA NA +HMDB02092 Itaconic acid C5H6O4 130.02661 http://www.hmdb.ca/metabolites/HMDB02092 HMDB NA NA +HMDB00620 Glutaconic acid C5H6O4 130.02661 HMDB00620 PFEM_hmdb_metabocards_official NA NA +HMDB00634 Citraconic acid C5H6O4 130.02661 HMDB00634 PFEM_hmdb_metabocards_official NA NA +HMDB00749 Mesaconic acid C5H6O4 130.02661 HMDB00749 PFEM_hmdb_metabocards_official NA NA +HMDB02092 Itaconic acid C5H6O4 130.02661 HMDB02092 PFEM_hmdb_metabocards_official NA NA +HMDB00620 Glutaconic acid C5H6O4 130.026611 NA HMDB2010 NA NA +HMDB00634 Citraconic acid C5H6O4 130.026611 NA HMDB2010 NA NA +HMDB00749 Mesaconic acid C5H6O4 130.026611 NA HMDB2010 NA NA +HMDB02092 Itaconic acid C5H6O4 130.026611 NA HMDB2010 NA NA +HMDB13233 Gamma-delta-Dioxovaleric acid C5H6O4 130.026611 NA HMDB2010 NA NA +CJneg0087 Ascorbic acid [(M-H)-(HCOOH)]- C5H5O4 130.027025 C18rt(min)=1.04 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0087 Ascorbic acid [(M-H)-(HCOOH)]- C5H5O4 130.027025 C18rt(min)=1.04 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0083 Citric acid [(M-H)-(H2O)-(CO2)]- C5H5O4 130.027125 C18rt(min)=1.09 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0083 Citric acid [(M-H)-(H2O)-(CO2)]- C5H5O4 130.027125 C18rt(min)=1.09 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0210 Cinnamoylglycine [(M+H)-(C2H5NO2)]+ C9H7N0O 130.041275 C18rt(min)=7.03 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0210 Cinnamoylglycine [(M+H)-(C2H5NO2)]+ C9H7N0O 130.041275 C18rt(min)=7.03 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ001204 2-Nonene-4,6,8-triyn-1-ol C9H6O 130.041864 NA MeJP NA NA +EUR339 Phenylalanine F3 F3 130.042675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR339 Phenylalanine F3 NA 130.042675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR339 Phenylalanine F3 F3 130.042675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR339 Phenylalanine F3 NA 130.042675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR339 Phenylalanine F3 F3 130.042675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR339 Phenylalanine F3 NA 130.042675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR339 Phenylalanine F3 F3 130.042675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR339 Phenylalanine F3 F3 130.042675 standards wishlist analysés sur QTOF HMDB NA NA +EUR339 Phenylalanine F3 F3 130.042675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR339 Phenylalanine F3 NA 130.042675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR339 Phenylalanine F3 F3 130.042675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR339 Phenylalanine F3 F3 130.042675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C16483 4-Fluorocyclohexadiene-cis,cis-1,2-diol C6H7FO2 130.043 NA KEGG NA NA +C16484 1-Fluorocyclohexadiene-cis,cis-1,2-diol C6H7FO2 130.043 NA KEGG NA NA +CJpos0211 Phenylacetylglutamine [(M+H)-(C8H9NO)]+ (13C) C413CH8NO3 130.045375 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0211 Phenylacetylglutamine [(M+H)-(C8H9NO)]+ (13C) C413CH8NO3 130.045375 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJneg0084 Oxoproline [(M-H)]- (13C) C413CH6NO3 130.046525 C18rt(min)=1.05 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0084 Oxoproline [(M-H)]- (13C) C413CH6NO3 130.046525 C18rt(min)=1.05 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ001205 2-Amino-3-azidopropanoic acid C3H6N4O2 130.049075 NA MeJP NA NA +CJpos0212 (2-methoxyethoxy)propanoic acid [(M+H)-(H2O)]+ C6H11O3 130.062475 C18rt(min)=4.95 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0213 (2-methoxyethoxy)propanoic acid [(M+H)-(H2O)]+ C6H11O3 130.062475 C18rt(min)=4.75 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0214 Mevalonic acid isomer [(M+H)-(H2O)]+ C6H11O3 130.062475 C18rt(min)=4.55 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0215 4-methyl-2-oxovaleric acid (ketoleucine) [(M+H)]+ C6H11O3 130.062475 C18rt(min)=5.7 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0212 (2-methoxyethoxy)propanoic acid [(M+H)-(H2O)]+ C6H11O3 130.062475 C18rt(min)=4.95 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0213 (2-methoxyethoxy)propanoic acid [(M+H)-(H2O)]+ C6H11O3 130.062475 C18rt(min)=4.75 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0214 Mevalonic acid isomer [(M+H)-(H2O)]+ C6H11O3 130.062475 C18rt(min)=4.55 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0215 4-methyl-2-oxovaleric acid (ketoleucine) [(M+H)]+ C6H11O3 130.062475 C18rt(min)=5.7 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB00408 2-Methyl-3-ketovaleric acid C6H10O3 130.062988 NA HMDB2010 NA NA +HMDB00491 3-Methyl-2-oxovaleric acid C6H10O3 130.062988 NA HMDB2010 NA NA +HMDB00695 Ketoleucine C6H10O3 130.062988 NA HMDB2010 NA NA +HMDB01864 2-Ketohexanoic acid C6H10O3 130.062988 NA HMDB2010 NA NA +HMDB06024 Mevalonolactone C6H10O3 130.062988 NA HMDB2010 NA NA +HMDB10717 3-Oxohexanoic acid C6H10O3 130.062988 NA HMDB2010 NA NA +HMDB00491 3-Methyl-2-oxovaleric acid C6H10O3 130.06299 http://www.hmdb.ca/metabolites/HMDB00491 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00695 Ketoleucine C6H10O3 130.06299 http://www.hmdb.ca/metabolites/HMDB00695 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00408 2-Methyl-3-ketovaleric acid C6H10O3 130.06299 http://www.hmdb.ca/metabolites/HMDB00408 HMDB NA NA +HMDB00491 3-Methyl-2-oxovaleric acid C6H10O3 130.06299 http://www.hmdb.ca/metabolites/HMDB00491 HMDB NA NA +HMDB00695 Ketoleucine C6H10O3 130.06299 http://www.hmdb.ca/metabolites/HMDB00695 HMDB NA NA +HMDB01864 2-Ketohexanoic acid C6H10O3 130.06299 http://www.hmdb.ca/metabolites/HMDB01864 HMDB NA NA +HMDB00491 3-Methyl-2-oxovaleric acid C6H10O3 130.06299 http://www.hmdb.ca/metabolites/HMDB00491 PFEM_hmdb_metabocards_blood NA blood +HMDB00695 Ketoleucine C6H10O3 130.06299 http://www.hmdb.ca/metabolites/HMDB00695 PFEM_hmdb_metabocards_blood NA blood +HMDB00408 2-Methyl-3-ketovaleric acid C6H10O3 130.06299 HMDB00408 PFEM_hmdb_metabocards_official NA NA +HMDB00491 3-Methyl-2-oxovaleric acid C6H10O3 130.06299 HMDB00491 PFEM_hmdb_metabocards_official NA NA +HMDB00695 Ketoleucine C6H10O3 130.06299 HMDB00695 PFEM_hmdb_metabocards_official NA NA +HMDB01864 2-Ketohexanoic acid C6H10O3 130.06299 HMDB01864 PFEM_hmdb_metabocards_official NA NA +MJ001206 2-Oxohexanoic acid C6H10O3 130.062994 NA MeJP NA NA +MJ001207 3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one C6H10O3 130.062994 NA MeJP NA NA +MJ001208 3-Methyl-4-oxopentanoic acid C6H10O3 130.062994 NA MeJP NA NA +MJ001209 4-Hydroxy-4-methyl-2-pentenoic acid C6H10O3 130.062994 NA MeJP NA NA +MJ001210 4-Methyl-2-oxopentanoic acid C6H10O3 130.062994 NA MeJP NA NA +MJ001211 5-(1-Hydroxyethyl)-2(5H)-furanone, 3,4-Dihydro C6H10O3 130.062994 NA MeJP NA NA +MJ001212 5-Ethoxy-4,5-dihydro-2(3H)furanone C6H10O3 130.062994 NA MeJP NA NA +MJ001213 5-Hydroxy-3-methyl-2-pentenoic acid C6H10O3 130.062994 NA MeJP NA NA +MJ001214 5-Hydroxy-4-oxohexanal C6H10O3 130.062994 NA MeJP NA NA +MJ001215 Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone C6H10O3 130.062994 NA MeJP NA NA +MJ001216 (R)-2-Oxo-3-methylpentanoate C6H10O3 130.062994 NA MeJP NA NA +MJ001217 3-Methyl-2-oxopentanoate C6H10O3 130.062994 NA MeJP NA NA +MJ001218 4-Methyl-2-oxopentanoate C6H10O3 130.062994 NA MeJP NA NA +MJ001219 Adipate semialdehyde C6H10O3 130.062994 NA MeJP NA NA +MetaCyc00620 pantoyl lactone [(R)-pantolactone;(R)-Pantoyl lactone;(3R)-dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone;] C6H10O3 130.062994 599-04-2 metacyc NA NA +MetaCyc00621 ethyl-acetoacetate [3-oxobutanoic acid ethyl ester;acetoacetic acid, ethyl ester;active acetyl acetate;diacetic ether;butanoic acid, 3-oxo-ethyl ester;ethyl 3-oxobutanoate;ethyl 3-oxobutyrate;ethyl acetoacetate;ethyl acetylacetate;ethyl acetylacetonate;ethyl β-ketobutyrate;] C6H10O3 130.062994 NA metacyc NA NA +MetaCyc00622 β-ketoisocaproate [] C6H10O3 130.062994 NA metacyc NA NA +MetaCyc00623 6-oxohexanoate [6-ketohexanoate;6-oxohexanoic acid;6-ketohexanoic acid;] C6H10O3 130.062994 NA metacyc NA NA +MetaCyc00624 6-hydroxyhexan-6-olide [7-hydroxyoxepan-2-one;] C6H10O3 130.062994 NA metacyc NA NA +MetaCyc00625 5-oxohexanoate [] C6H10O3 130.062994 06/01/3128 metacyc NA NA +MetaCyc00626 2-ketoisocaproate [2-keto-4-methyl-pentanoate;2-oxoisocaproate;4-methyl-2-oxopentanoate;2-oxo-4-methylpentanoate;α-ketoisocaproate;α-oxoisocaproate;] C6H10O3 130.062994 816-66-0 metacyc NA NA +MetaCyc00627 2-oxohexanoate [] C6H10O3 130.062994 NA metacyc NA NA +MetaCyc00628 2-keto-3-methyl-valerate [(3S)-3-Methyl-2-oxopentanoate;α-keto-methylvalerate;2-oxo-3-methylvalerate;(S)-2-oxo-3-methylpentanoate;(S)-3-methyl-2-oxopentanoate;2-oxo-3-methylpentanoate;3-methyl-2-oxopentanoate;α-keto-β-methyl-valerate;] C6H10O3 130.062994 1460-34-0 metacyc NA NA +EUR608 Mevalonolactone NA 130.062995 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +EUR608 Mevalonolactone NA 130.062995 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR608 Mevalonolactone NA 130.062995 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR608 Mevalonolactone NA 130.062995 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR608 Mevalonolactone NA 130.062995 identifiés dans standard mixture NuGO HMDB NA NA +EUR608 Mevalonolactone NA 130.062995 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +EUR608 Mevalonolactone NA 130.062995 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR608 Mevalonolactone NA 130.062995 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +EUR608 ±Mevalonolactone [M+H]+ 130.063 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR608 ±Mevalonolactone [M+H]+ 130.063 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR608 ±Mevalonolactone [M+H]+ 130.063 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +7826 ACE inhibitor EI 130.063 MH2+ Inhouse_peptide NA peptide +7827 ACE inhibitor IE 130.063 MH2+ Inhouse_peptide NA peptide +7888 antioxidative peptide EL 130.063 MH2+ Inhouse_peptide NA peptide +EUR608 ±Mevalonolactone [M+H]+ 130.063 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00233 4-Methyl-2-oxopentanoate C6H10O3 130.063 NA KEGG NA NA +C00671 (S)-3-Methyl-2-oxopentanoic acid C6H10O3 130.063 NA KEGG NA NA +C00902 2-Oxohexanoic acid C6H10O3 130.063 NA KEGG NA NA +C01012 (R)-Pantolactone C6H10O3 130.063 NA KEGG NA NA +C02122 3-Oxohexanoic acid C6H10O3 130.063 NA KEGG NA NA +C02129 5-Oxohexanoic acid C6H10O3 130.063 NA KEGG NA NA +C03241 6-Hydroxyhexan-6-olide C6H10O3 130.063 NA KEGG NA NA +C03465 3-Methyl-2-oxopentanoate C6H10O3 130.063 NA KEGG NA NA +C03467 beta-Ketoisocaproate C6H10O3 130.063 NA KEGG NA NA +C03500 Ethyl 3-oxobutanoate C6H10O3 130.063 NA KEGG NA NA +C03501 Fc fragment of human IgA C6H10O3 130.063 NA KEGG NA NA +C06008 (3R)-3-Methyl-2-oxopentanoic acid C6H10O3 130.063 NA KEGG NA NA +C06102 Adipate semialdehyde C6H10O3 130.063 NA KEGG NA NA +C12314 1-Oxa-2-oxo-3-hydroxycycloheptane C6H10O3 130.063 NA KEGG NA NA +C14530 2-Hydroxyethyl methacrylate C6H10O3 130.063 NA KEGG NA NA +CJneg0085 3-methyl-2-oxovaleric acid [(M-H)]- C6H9O3 130.063525 C18rt(min)=5.37 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0086 4-methyl-2-oxovaleric acid (ketoleucine) [(M-H)]- C6H9O3 130.063525 C18rt(min)=5.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0085 3-methyl-2-oxovaleric acid [(M-H)]- C6H9O3 130.063525 C18rt(min)=5.37 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0086 4-methyl-2-oxovaleric acid (ketoleucine) [(M-H)]- C6H9O3 130.063525 C18rt(min)=5.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MLBis010 Mevalonolactone HMDB06024_RT4.11_add113 130.0636 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis010 Mevalonolactone HMDB06024_RT4.11_add113 130.0636 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis010 Mevalonolactone HMDB06024_RT4.11_add113 130.0636 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis010 Mevalonolactone HMDB06024_RT4.11_add113 130.0636 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis010 Mevalonolactone HMDB06024_RT4.11_add113 130.0636 Mlbis HMDB NA NA +MLBis010 Mevalonolactone HMDB06024_RT4.11_add113 130.0636 Mlbis Inhouse_PFEM NA NA +MLBis010 Mevalonolactone HMDB06024_RT4.11_add113 130.0636 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis010 Mevalonolactone HMDB06024_RT4.11_add113 130.0636 Mlbis PFEM_hmdb_metabocards_official NA NA +7698 ACE inhibitor from wakame NK 130.06845 MH2+ Inhouse_peptide NA peptide +C01483 Casein K C5H10N2O2 130.0742 NA KEGG NA NA +C10140 Cucurbitine C5H10N2O2 130.0742 NA KEGG NA NA +MJ001220 1-Amino-2-pyrrolidinecarboxylic acid C5H10N2O2 130.074227 NA MeJP NA NA +MJ001221 3-Amino-2-piperidinone, N-Hydroxy C5H10N2O2 130.074227 NA MeJP NA NA +MJ001222 3-Amino-2-pyrrolidinecarboxylic acid C5H10N2O2 130.074227 NA MeJP NA NA +MJ001223 3-Amino-3-pyrrolidinecarboxylic acid C5H10N2O2 130.074227 NA MeJP NA NA +MJ001224 3-Amino-4-methyl-2-pyrrolidinone, N-Hydroxy C5H10N2O2 130.074227 NA MeJP NA NA +MJ001225 4-Amino-2-pyrrolidinecarboxylic acid C5H10N2O2 130.074227 NA MeJP NA NA +MJ001226 Hexahydro-3-pyridazinecarboxylic acid C5H10N2O2 130.074227 NA MeJP NA NA +CJpos0216 Pipecolic acid [(M+H)]+ (13C) C513CH12NO2 130.081775 C18rt(min)=1.06 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0216 Pipecolic acid [(M+H)]+ (13C) C513CH12NO2 130.081775 C18rt(min)=1.06 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +JH061 Phenylalanine [M+H-H2O-NH2]+ NA 130.0846 1.66 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH061 Phenylalanine [M+H-H2O-NH2]+ NA 130.0846 1.66 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH061 Phenylalanine [M+H-H2O-NH2]+ NA 130.0846 1.66 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH061 Phenylalanine [M+H-H2O-NH2]+ NA 130.0846 1.66 Inhousejuil11 NA NA +MetaCyc00629 vigabatrin [] C6H12N1O2 130.086804 NA metacyc NA NA +MJ001227 1-Hexanol; Formyl C7H14O2 130.099379 NA MeJP NA NA +MJ001228 3-Methyl-1-butanol; Ac C7H14O2 130.099379 NA MeJP NA NA +MJ001229 4-Methylpentanoic acid; Me ester C7H14O2 130.099379 NA MeJP NA NA +MJ001230 Heptanoic acid C7H14O2 130.099379 NA MeJP NA NA +MJ001231 Hexanoic acid; Me ester C7H14O2 130.099379 NA MeJP NA NA +MJ001232 Pentanoic acid; Et ester C7H14O2 130.099379 NA MeJP NA NA +HMDB00666 Heptanoic acid C7H14O2 130.09938 http://www.hmdb.ca/metabolites/HMDB00666 HMDB NA NA +MetaCyc00630 heptanoate [heptanoic acid;enanthic acid;oenanthylic acid;] C7H14O2 130.09938 NA metacyc NA NA +HMDB00666 Heptanoic acid C7H14O2 130.09938 HMDB00666 PFEM_hmdb_metabocards_official NA NA +HMDB00666 Heptanoic acid C7H14O2 130.09938 NA HMDB2010 NA NA +C12290 Ethyl isovalerate C7H14O2 130.0994 NA KEGG NA NA +C12291 Transferred to D01086 C7H14O2 130.0994 NA KEGG NA NA +C12296 Isoamyl acetate C7H14O2 130.0994 NA KEGG NA NA +C17714 Heptanoic acid C7H14O2 130.0994 NA KEGG NA NA +CJpos0217 N-Acetylputrescine (and isomer) [(M+H)]+ C6H15N2O 130.110075 C18rt(min)=1 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0217 N-Acetylputrescine (and isomer) [(M+H)]+ C6H15N2O 130.110075 C18rt(min)=1 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +C02714 N-Acetylputrescine C6H14N2O 130.1106 NA KEGG NA NA +C02715 N-Acyl-L-aspartate C5H6NO5R 130.1106 NA KEGG NA NA +C02716 N-Acyl-L-glutamine C6H9N2O4R 130.1106 NA KEGG NA NA +HMDB02064 N-Acetylputrescine C6H14N2O 130.11061 http://www.hmdb.ca/metabolites/HMDB02064 HMDB NA NA +HMDB02064 N-Acetylputrescine C6H14N2O 130.11061 HMDB02064 PFEM_hmdb_metabocards_official NA NA +HMDB02064 N-Acetylputrescine C6H14N2O 130.110611 NA HMDB2010 NA NA +MJ001233 Leucine, Amide C6H14N2O 130.110613 NA MeJP NA NA +MJ001234 N-Acetylputrescine C6H14N2O 130.110613 NA MeJP NA NA +MetaCyc00631 N-acetylputrescine [monoacetylputrescine;] C6H14N2O1 130.110613 18233-70-0 metacyc NA NA +C00179 Agmatine C5H14N4 130.1218 NA KEGG NA NA +LABER074 Agmatine NA 130.121841 131, 72, 60, 97, 114 PFEM_hmdb_metabocards_urine NA urine +LABER087 Agmatine NA 130.121841 RT 1.62 PFEM_hmdb_metabocards_urine NA urine +LABER074 Agmatine NA 130.121841 131, 72, 60, 97, 114 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER087 Agmatine NA 130.121841 RT 1.62 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER074 Agmatine NA 130.121841 131, 72, 60, 97, 114 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER087 Agmatine NA 130.121841 RT 1.62 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER074 Agmatine NA 130.121841 131, 72, 60, 97, 114 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER087 Agmatine NA 130.121841 RT 1.62 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER074 Agmatine NA 130.121841 131, 72, 60, 97, 114 HMDB NA NA +LABER087 Agmatine NA 130.121841 RT 1.62 HMDB NA NA +HMDB01432 Agmatine C5H14N4 130.121841 NA HMDB2010 NA NA +LABER074 Agmatine NA 130.121841 131, 72, 60, 97, 114 Inhouse_PFEM NA NA +LABER087 Agmatine NA 130.121841 RT 1.62 Inhouse_PFEM NA NA +LABER074 Agmatine NA 130.121841 131, 72, 60, 97, 114 Inhousejuil11 NA NA +LABER087 Agmatine NA 130.121841 RT 1.62 Inhousejuil11 NA NA +LABER074 Agmatine NA 130.121841 131, 72, 60, 97, 114 PFEM_hmdb_metabocards_blood NA blood +LABER087 Agmatine NA 130.121841 RT 1.62 PFEM_hmdb_metabocards_blood NA blood +LABER074 Agmatine NA 130.121841 131, 72, 60, 97, 114 PFEM_hmdb_metabocards_official NA NA +LABER087 Agmatine NA 130.121841 RT 1.62 PFEM_hmdb_metabocards_official NA NA +MJ001235 (4-Aminobutyl)guanidine C5H14N4 130.121846 NA MeJP NA NA +MJ001236 Agmatine C5H14N4 130.121846 NA MeJP NA NA +MetaCyc00632 agmatine [] C5H14N4 130.121846 306-60-5 metacyc NA NA +HMDB01432 Agmatine C5H14N4 130.12186 http://www.hmdb.ca/metabolites/HMDB01432 HMDB NA NA +HMDB01432 Agmatine C5H14N4 130.12186 HMDB01432 PFEM_hmdb_metabocards_official NA NA +HMDB01345 4-Trimethylammoniobutanal C7H16NO 130.12318 http://www.hmdb.ca/metabolites/HMDB01345 HMDB NA NA +HMDB01345 4-Trimethylammoniobutanal C7H16NO 130.12318 HMDB01345 PFEM_hmdb_metabocards_official NA NA +HMDB01345 4-Trimethylammoniobutanal C7H16NO 130.123184 NA HMDB2010 NA NA +MJ001237 4-Trimethylammoniobutanal C7H16NO 130.123189 NA MeJP NA NA +MetaCyc00633 4-trimethylammoniobutanal [trimethyl-(4-oxobutyl)ammonium;] C7H16N1O1 130.123189 NA metacyc NA NA +C01149 4-Trimethylammoniobutanal C7H16NO 130.1232 NA KEGG NA NA +C01150 5'-Phosphomononucleotides C5H10O7PR 130.1232 NA KEGG NA NA +HMDB01183 Octanol C8H18O 130.135757 NA HMDB2010 NA NA +MJ001238 1-Octanol C8H18O 130.135765 NA MeJP NA NA +MJ001239 2-Ethyl-1-hexanol C8H18O 130.135765 NA MeJP NA NA +MJ001240 2-Methyl-4-heptanol C8H18O 130.135765 NA MeJP NA NA +MJ001241 2-Octanol C8H18O 130.135765 NA MeJP NA NA +MJ001242 3-Ethyl-4-methyl-1-pentanol C8H18O 130.135765 NA MeJP NA NA +MJ001243 3-Octanol C8H18O 130.135765 NA MeJP NA NA +MJ001244 4-Methyl-3-heptanol C8H18O 130.135765 NA MeJP NA NA +MJ001245 5-Methyl-3-heptanol C8H18O 130.135765 NA MeJP NA NA +MetaCyc00634 octanol [1-octanol;caprylic alcohol;N-octanol;octanol;octyl-alcohol;N-octyl-alcohol;] C8H18O1 130.135765 111-87-5 metacyc NA NA +MetaCyc00635 2-ethylhexan-1-ol [] C8H18O1 130.135765 104-76-7 metacyc NA NA +HMDB01183 Octanol C8H18O 130.13577 http://www.hmdb.ca/metabolites/HMDB01183 HMDB NA NA +HMDB01183 Octanol C8H18O 130.13577 HMDB01183 PFEM_hmdb_metabocards_official NA NA +C00756 1-Octanol C8H18O 130.1358 NA KEGG NA NA +C02498 2-Ethylhexan-1-ol C8H18O 130.1358 NA KEGG NA NA +C17144 3-Octanol C8H18O 130.1358 NA KEGG NA NA +C07512 Tetraethylammonium C8H20N 130.1596 NA KEGG NA NA +8114 peptide derived from sardinelle by-products proteins (Sardinella aurita) GGE 130.542 MH2+ Inhouse_peptide NA peptide +7579 ACE inhibitor GW 130.55 MH2+ Inhouse_peptide NA peptide +7613 ACE inhibitor WG 130.55 MH2+ Inhouse_peptide NA peptide +8134 peptide derived from dried bonito KD 130.56045 MH2+ Inhouse_peptide NA peptide +MJ001246 N-Chlorosulfamic acid ClH2NO3S 130.944391 NA MeJP NA NA +MJ001247 Trifluoroferrate(II)(1-); NH4 salt F3FeH4N 130.964525 NA MeJP NA NA +HMDB01131 Iminoaspartic acid C4H5NO4 131.021851 NA HMDB2010 NA NA +MJ001248 2,3-Aziridinedicarboxylic acid C4H5NO4 131.021857 NA MeJP NA NA +MJ001249 2-Oxosuccinamate C4H5NO4 131.021857 NA MeJP NA NA +MJ001250 Iminoaspartate C4H5NO4 131.021857 NA MeJP NA NA +MetaCyc00636 L-keto-succinamate [ketosuccinamate;L-oxosuccinamate;] C4H5N1O4 131.021858 NA metacyc NA NA +MetaCyc00637 iminoaspartate [α-iminosuccinate;] C4H5N1O4 131.021858 NA metacyc NA NA +MetaCyc00638 2-oxosuccinamate [α-ketosuccinamate;] C4H5N1O4 131.021858 NA metacyc NA NA +HMDB01131 Iminoaspartic acid C4H5NO4 131.02187 http://www.hmdb.ca/metabolites/HMDB01131 HMDB NA NA +HMDB01131 Iminoaspartic acid C4H5NO4 131.02187 HMDB01131 PFEM_hmdb_metabocards_official NA NA +C02362 2-Oxosuccinamate C4H5NO4 131.0219 NA KEGG NA NA +C05840 Iminoaspartate C4H5NO4 131.0219 NA KEGG NA NA +MJ001251 2-Oxo-2-phenylacetic acid; Nitrile C8H5NO 131.037113 NA MeJP NA NA +MJ001252 3H-Indol-3-one C8H5NO 131.037113 NA MeJP NA NA +MJ001253 4-Ethyl-2-oxazolidinethione C5H9NOS 131.040484 NA MeJP NA NA +MJ001254 5,5-Dimethyl-2-oxazolidinethione C5H9NOS 131.040484 NA MeJP NA NA +CJpos0218 Cinnamoylglycine [(M+H)-(C2H5NO2)]+ (13C) C813CH7N0O 131.044675 C18rt(min)=7.03 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0218 Cinnamoylglycine [(M+H)-(C2H5NO2)]+ (13C) C813CH7N0O 131.044675 C18rt(min)=7.03 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +PFEM047F1 Hydroxyproline F1 131.0512 NA Inhouse_original NA NA +EUR216 Hydroxyproline F1 C5H9NO4 131.056175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR216 Hydroxyproline F1 NA 131.056175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR216 Hydroxyproline F1 C5H9NO4 131.056175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR216 Hydroxyproline F1 NA 131.056175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR216 Hydroxyproline F1 C5H9NO4 131.056175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR216 Hydroxyproline F1 NA 131.056175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR216 Hydroxyproline F1 C5H9NO4 131.056175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR216 Hydroxyproline F1 C5H9NO4 131.056175 standards wishlist analysés sur QTOF HMDB NA NA +EUR216 Hydroxyproline F1 C5H9NO4 131.056175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR216 Hydroxyproline F1 NA 131.056175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR216 Hydroxyproline F1 C5H9NO4 131.056175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR216 Hydroxyproline F1 C5H9NO4 131.056175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0219 N-Acetylalanine [(M+H)]+ C5H10NO3 131.057675 C18rt(min)=1.8 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0220 Hydroxyproline [(M+H)]+ C5H10NO3 131.057675 C18rt(min)=0.9 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0221 Hydroxyproline isomers [(M+H)]+ C5H10NO3 131.057675 C18rt(min)=1.6 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0222 N-Acetylaspartic acid [(M+H)-(CO2)]+ C5H10NO3 131.057675 C18rt(min)=1.04 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0219 N-Acetylalanine [(M+H)]+ C5H10NO3 131.057675 C18rt(min)=1.8 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0220 Hydroxyproline [(M+H)]+ C5H10NO3 131.057675 C18rt(min)=0.9 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0221 Hydroxyproline isomers [(M+H)]+ C5H10NO3 131.057675 C18rt(min)=1.6 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0222 N-Acetylaspartic acid [(M+H)-(CO2)]+ C5H10NO3 131.057675 C18rt(min)=1.04 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +EUR023 glutamic semialdehyde C5H9NO3 131.0582 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR027 Hydroxyproline C5H9NO3 131.0582 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR023 glutamic semialdehyde C5H9NO3 131.0582 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR027 Hydroxyproline C5H9NO3 131.0582 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR023 glutamic semialdehyde C5H9NO3 131.0582 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR027 Hydroxyproline C5H9NO3 131.0582 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR023 glutamic semialdehyde C5H9NO3 131.0582 Wishlist Inhousejuil11 NA NA +EUR027 Hydroxyproline C5H9NO3 131.0582 Wishlist Inhousejuil11 NA NA +C00430 5-Aminolevulinate C5H9NO3 131.0582 NA KEGG NA NA +C01015 4-Hydroxy-L-proline C5H9NO3 131.0582 NA KEGG NA NA +C01016 5'-Phosphomonoester C5H10O7PR 131.0582 NA KEGG NA NA +C01073 N-Acetyl-beta-alanine C5H9NO3 131.0582 NA KEGG NA NA +C01074 N-Acetylgalactosamine C5H9NO3 131.0582 NA KEGG NA NA +C01110 5-Amino-2-oxopentanoic acid C5H9NO3 131.0582 NA KEGG NA NA +C01157 trans-4-Hydroxy-L-proline C5H9NO3 131.0582 NA KEGG NA NA +C01165 L-Glutamate 5-semialdehyde C5H9NO3 131.0582 NA KEGG NA NA +C01166 Oxidized polyvinyl alcohol C5H9NO3 131.0582 NA KEGG NA NA +C01167 Protein tyrosine phosphate C10H11N2O6PR2 131.0582 NA KEGG NA NA +C03341 2-Amino-4-oxopentanoic acid C5H9NO3 131.0582 NA KEGG NA NA +C03440 cis-4-Hydroxy-D-proline C5H9NO3 131.0582 NA KEGG NA NA +C03441 cis-4-Hydroxy-L-proline C5H9NO3 131.0582 NA KEGG NA NA +C03651 trans-4-Hydroxy-D-proline C5H9NO3 131.0582 NA KEGG NA NA +C03741 (S)-4-Amino-5-oxopentanoate C5H9NO3 131.0582 NA KEGG NA NA +C05147 trans-L-3-Hydroxyproline C5H9NO3 131.0582 NA KEGG NA NA +HMDB00725 Hydroxyproline C5H9NO3 131.05824 http://www.hmdb.ca/metabolites/HMDB00725 PFEM_hmdb_metabocards_urine NA urine +HMDB01149 5-Aminolevulinic acid C5H9NO3 131.05824 http://www.hmdb.ca/metabolites/HMDB01149 PFEM_hmdb_metabocards_urine NA urine +HMDB00725 Hydroxyproline C5H9NO3 131.05824 http://www.hmdb.ca/metabolites/HMDB00725 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01149 5-Aminolevulinic acid C5H9NO3 131.05824 http://www.hmdb.ca/metabolites/HMDB01149 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00725 Hydroxyproline C5H9NO3 131.05824 http://www.hmdb.ca/metabolites/HMDB00725 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01149 5-Aminolevulinic acid C5H9NO3 131.05824 http://www.hmdb.ca/metabolites/HMDB01149 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00725 Hydroxyproline C5H9NO3 131.05824 http://www.hmdb.ca/metabolites/HMDB00725 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01149 5-Aminolevulinic acid C5H9NO3 131.05824 http://www.hmdb.ca/metabolites/HMDB01149 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00725 Hydroxyproline C5H9NO3 131.05824 http://www.hmdb.ca/metabolites/HMDB00725 HMDB NA NA +HMDB00766 N-Acetyl-L-alanine C5H9NO3 131.05824 http://www.hmdb.ca/metabolites/HMDB00766 HMDB NA NA +HMDB00783 Propionylglycine C5H9NO3 131.05824 http://www.hmdb.ca/metabolites/HMDB00783 HMDB NA NA +HMDB01149 5-Aminolevulinic acid C5H9NO3 131.05824 http://www.hmdb.ca/metabolites/HMDB01149 HMDB NA NA +HMDB02104 l-Glutamic-gamma-semialdehyde C5H9NO3 131.05824 http://www.hmdb.ca/metabolites/HMDB02104 HMDB NA NA +HMDB02113 3-Hydroxy-L-proline C5H9NO3 131.05824 http://www.hmdb.ca/metabolites/HMDB02113 HMDB NA NA +HMDB06272 5-Amino-2-oxopentanoate C5H9NO3 131.05824 http://www.hmdb.ca/metabolites/HMDB06272 HMDB NA NA +HMDB00725 Hydroxyproline C5H9NO3 131.05824 NA ;SYN:N-epsilon-methyllysine; N(6)-Methyllysine; N(6)-methyl-L-lysine; Epsilon-n-methyllysine; (2S)-2-amino-6-(methylamino)hexanoic acid; N-methyl-lysine; N6-Methyl-L-lysine; (S)-2-amino-6-methylaminohexanoic acid; N(zeta)-methyllysine; Epsilon-methyllysine; (2S)-2-amino-6-(methylamino)hexanoate; (S)-2-amino-6-methylaminohexanoateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB01149 5-Aminolevulinic acid C5H9NO3 131.05824 NA ;SYN:Arginic acid; Argininic acidH2Blood Inhouse_peptide NA peptide +HMDB06055 4-Hydroxy-L-proline C5H9NO3 131.05824 Long chain acyl carnitines ;SYN:(2E)-Hexadecenoyl-carnitine; trans-2-Hexadecenoyl-carnitineH2Blood Inhouse_peptide NA peptide +HMDB00725 Hydroxyproline C5H9NO3 131.05824 http://www.hmdb.ca/metabolites/HMDB00725 PFEM_hmdb_metabocards_blood NA blood +HMDB01149 5-Aminolevulinic acid C5H9NO3 131.05824 http://www.hmdb.ca/metabolites/HMDB01149 PFEM_hmdb_metabocards_blood NA blood +HMDB00725 Hydroxyproline C5H9NO3 131.05824 HMDB00725 PFEM_hmdb_metabocards_official NA NA +HMDB00766 N-Acetyl-L-alanine C5H9NO3 131.05824 HMDB00766 PFEM_hmdb_metabocards_official NA NA +HMDB00783 Propionylglycine C5H9NO3 131.05824 HMDB00783 PFEM_hmdb_metabocards_official NA NA +HMDB01149 5-Aminolevulinic acid C5H9NO3 131.05824 HMDB01149 PFEM_hmdb_metabocards_official NA NA +HMDB02104 l-Glutamic-gamma-semialdehyde C5H9NO3 131.05824 HMDB02104 PFEM_hmdb_metabocards_official NA NA +HMDB02113 3-Hydroxy-L-proline C5H9NO3 131.05824 HMDB02113 PFEM_hmdb_metabocards_official NA NA +HMDB06272 5-Amino-2-oxopentanoate C5H9NO3 131.05824 HMDB06272 PFEM_hmdb_metabocards_official NA NA +LABER063 cis-OHproline NA 131.058243 RT 2.01 fragt 86.06 PFEM_hmdb_metabocards_urine NA urine +LABER063 cis-OHproline NA 131.058243 RT 2.01 fragt 86.06 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER063 cis-OHproline NA 131.058243 RT 2.01 fragt 86.06 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER063 cis-OHproline NA 131.058243 RT 2.01 fragt 86.06 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER063 cis-OHproline NA 131.058243 RT 2.01 fragt 86.06 HMDB NA NA +HMDB00725 Hydroxyproline C5H9NO3 131.058243 NA HMDB2010 NA NA +HMDB00766 N-Acetyl-L-alanine C5H9NO3 131.058243 NA HMDB2010 NA NA +HMDB00783 Propionylglycine C5H9NO3 131.058243 NA HMDB2010 NA NA +HMDB01149 5-Aminolevulinic acid C5H9NO3 131.058243 NA HMDB2010 NA NA +HMDB02104 L-Glutamic-gamma-semialdehyde C5H9NO3 131.058243 NA HMDB2010 NA NA +HMDB02113 3-Hydroxy-L-proline C5H9NO3 131.058243 NA HMDB2010 NA NA +HMDB06055 4-Hydroxy-L-proline C5H9NO3 131.058243 NA HMDB2010 NA NA +HMDB06272 5-Amino-2-oxopentanoic acid C5H9NO3 131.058243 NA HMDB2010 NA NA +LABER063 cis-OHproline NA 131.058243 RT 2.01 fragt 86.06 Inhouse_PFEM NA NA +LABER063 cis-OHproline NA 131.058243 RT 2.01 fragt 86.06 Inhousejuil11 NA NA +MJ001255 2-Amino-4-methoxy-3-butenoic acid C5H9NO3 131.058243 NA MeJP NA NA +MJ001256 3,4-Dihydro-3,4-dihydroxy-2-(hydroxymethyl)-2H-pyrrole C5H9NO3 131.058243 NA MeJP NA NA +MJ001257 3-Hydroxy-2-pyrrolidinecarboxylic acid C5H9NO3 131.058243 NA MeJP NA NA +MJ001258 4-Amino-5-oxopentanoic acid C5H9NO3 131.058243 NA MeJP NA NA +MJ001259 4-Hydroxy-2-pyrrolidinecarboxylic acid C5H9NO3 131.058243 NA MeJP NA NA +MJ001260 5-Amino-4-oxopentanoic acid C5H9NO3 131.058243 NA MeJP NA NA +MJ001261 5-Aminotetrahydro-6-hydroxy-2H-pyran-2-one C5H9NO3 131.058243 NA MeJP NA NA +MJ001262 ?-Amino-1-hydroxycyclopropaneacetic acid C5H9NO3 131.058243 NA MeJP NA NA +MJ001263 (S)-4-Amino-5-oxopentanoate C5H9NO3 131.058243 NA MeJP NA NA +MJ001264 2-Amino-4-oxopentanoate C5H9NO3 131.058243 NA MeJP NA NA +MJ001265 2-Oxo-5-aminovalerate C5H9NO3 131.058243 NA MeJP NA NA +MJ001266 5-Amino-2-oxopentanoate C5H9NO3 131.058243 NA MeJP NA NA +MJ001267 5-Aminolevulinate C5H9NO3 131.058243 NA MeJP NA NA +MJ001268 L-Glutamate 5-semialdehyde C5H9NO3 131.058243 NA MeJP NA NA +MJ001269 N-Acetyl-beta-alanine C5H9NO3 131.058243 NA MeJP NA NA +MJ001270 cis-4-Hydroxy-D-proline C5H9NO3 131.058243 NA MeJP NA NA +MJ001271 trans-4-Hydroxy-L-proline C5H9NO3 131.058243 NA MeJP NA NA +MetaCyc00639 glutamate-1-semialdehyde [(S)-4-amino-5-oxopentanoate;L-Glutamate 1-semialdehyde;] C5H9N1O3 131.058243 NA metacyc NA NA +MetaCyc00640 trans-L-3-hydroxyproline [] C5H9N1O3 131.058243 NA metacyc NA NA +MetaCyc00641 N-Acetyl-β-alanine [] C5H9N1O3 131.058243 3025-95-4 metacyc NA NA +MetaCyc00642 2-amino-4-oxopentanoate [] C5H9N1O3 131.058243 4439-83-2 metacyc NA NA +MetaCyc00643 cis-4-hydroxy-D-proline [] C5H9N1O3 131.058243 2584-71-6 metacyc NA NA +MetaCyc00644 5-amino-levulinate [5-Amino-4-oxopentanoate;5-amino-4-oxo-pentanoic acid;5-amino-levulinic acid;5-amino-4-oxopentanoic acid;γ-aminolevulinic acid;5-aminolevulinic acid;5-aminolevulinate;ALA;δ-aminolevulinic acid;] C5H9N1O3 131.058243 106-60-5 metacyc NA NA +MetaCyc00645 2-keto-ornithine [5-amino-2-oxo-pentanoic acid;α-keto-δ-aminovaleric acid;5-amino-2-oxo-pentanoate;2-keto-5-aminovalerate;α-keto-δ-aminovalerate;] C5H9N1O3 131.058243 NA metacyc NA NA +MetaCyc00646 4-hydroxy-L-proline [trans-4-hydroxy-L-proline;] C5H9N1O3 131.058243 51-35-4 metacyc NA NA +MetaCyc00647 3-hydroxy-L-proline [] C5H9N1O3 131.058243 NA metacyc NA NA +MetaCyc00648 2-keto-5-aminovalerate [2-oxo-5-aminovalerate;] C5H9N1O3 131.058243 NA metacyc NA NA +MetaCyc00649 2-amino-4-oxo-pentoate [2-NH2,4k-pentoate;] C5H9N1O3 131.058243 NA metacyc NA NA +MetaCyc00650 L-glutamate γ-semialdehyde [glutamic γ-semialdehyde;L-glutamate-5-semialdehyde;glutamate-semialdehyde;] C5H9N1O3 131.058243 NA metacyc NA NA +MetaCyc00651 L-4-hydroxy-proline [hydroxy-L-proline;L-4-hydroxyproline;oxyproline;4-hydroxyproline;cis-4-hydroxyproline;OH-pro;hydroxyproline;] C5H9N1O3 131.058243 51-35-4 metacyc NA NA +MetaCyc00652 allo-4-hydroxy-D-proline [] C5H9N1O3 131.058243 NA metacyc NA NA +LABER063 cis-OHproline NA 131.058243 RT 2.01 fragt 86.06 PFEM_hmdb_metabocards_blood NA blood +LABER063 cis-OHproline NA 131.058243 RT 2.01 fragt 86.06 PFEM_hmdb_metabocards_official NA NA +EUR023 glutamic semialdehyde C5H9NO3 131.058244 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR023 glutamic semialdehyde C5H9NO3 131.058244 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR023 glutamic semialdehyde C5H9NO3 131.058244 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR023 glutamic semialdehyde C5H9NO3 131.058244 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR023 glutamic semialdehyde C5H9NO3 131.058244 Wishlist HMDB NA NA +EUR023 glutamic semialdehyde C5H9NO3 131.058244 Wishlist Inhouse_PFEM NA NA +EUR023 glutamic semialdehyde C5H9NO3 131.058244 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR023 glutamic semialdehyde C5H9NO3 131.058244 Wishlist PFEM_hmdb_metabocards_official NA NA +CJneg0088 Hydroxyproline [(M-H)]- C5H8NO3 131.058825 C18rt(min)=0.9 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0089 Hydroxyproline isomers [(M-H)]- C5H8NO3 131.058825 C18rt(min)=1.6 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0090 N-Acetylaspartic acid [(M-H)-(CO2)]- C5H8NO3 131.058825 C18rt(min)=1.04 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0088 Hydroxyproline [(M-H)]- C5H8NO3 131.058825 C18rt(min)=0.9 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0089 Hydroxyproline isomers [(M-H)]- C5H8NO3 131.058825 C18rt(min)=1.6 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0090 N-Acetylaspartic acid [(M-H)-(CO2)]- C5H8NO3 131.058825 C18rt(min)=1.04 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +3178 dipeptidyl-aminopeptidase IV inhibitor FP 131.06 MH2+ Inhouse_peptide NA peptide +3502 ACE inhibitor (BSA fr, 221-222) FP 131.06 MH2+ Inhouse_peptide NA peptide +CJpos0223 (2-methoxyethoxy)propanoic acid [(M+H)-(H2O)]+ (13C) C513CH11O3 131.065775 C18rt(min)=4.75 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0224 Mevalonic acid isomer [(M+H)-(H2O)]+ (13C) C5[13]CH11O3 131.065775 C18rt(min)=4.55 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0223 (2-methoxyethoxy)propanoic acid [(M+H)-(H2O)]+ (13C) C513CH11O3 131.065775 C18rt(min)=4.75 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0224 Mevalonic acid isomer [(M+H)-(H2O)]+ (13C) C5[13]CH11O3 131.065775 C18rt(min)=4.55 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJneg0091 3-methyl-2-oxovaleric acid [(M-H)]- (13C) C513CH9O3 131.066925 C18rt(min)=5.37 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0091 3-methyl-2-oxovaleric acid [(M-H)]- (13C) C513CH9O3 131.066925 C18rt(min)=5.37 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +JH022 Creatine C4H9N3O2 131.0684 Rtobs1.23 PFEM_hmdb_metabocards_urine NA urine +JH022 Creatine [M+H]+ C4H9N3O2 131.0684 1.23 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH022 Creatine C4H9N3O2 131.0684 Rtobs1.23 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH022 Creatine [M+H]+ C4H9N3O2 131.0684 1.23 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH022 Creatine C4H9N3O2 131.0684 Rtobs1.23 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH022 Creatine [M+H]+ C4H9N3O2 131.0684 1.23 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH022 Creatine C4H9N3O2 131.0684 Rtobs1.23 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH022 Creatine C4H9N3O2 131.0684 Rtobs1.23 HMDB NA NA +JH022 Creatine C4H9N3O2 131.0684 Rtobs1.23 Inhouse_PFEM NA NA +JH022 Creatine [M+H]+ C4H9N3O2 131.0684 1.23 Inhousejuil11 NA NA +JH022 Creatine C4H9N3O2 131.0684 Rtobs1.23 PFEM_hmdb_metabocards_blood NA blood +JH022 Creatine C4H9N3O2 131.0684 Rtobs1.23 PFEM_hmdb_metabocards_official NA NA +CJpos0225 Creatine [(M+H)]+ C4H10N3O2 131.068975 C18rt(min)=0.93 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0225 Creatine [(M+H)]+ C4H10N3O2 131.068975 C18rt(min)=0.93 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +EUR554 Creatine [M-H]+ 131.069175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR554 Creatine [M-H]+ 131.069175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR554 Creatine [M-H]+ 131.069175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR554 Creatine [M-H]+ 131.069175 identifies dans serum NuGO Inhousejuil11 NA NA +HMDB00064 Creatine C4H9N3O2 131.06947 http://www.hmdb.ca/metabolites/HMDB00064 PFEM_hmdb_metabocards_urine NA urine +HMDB00064 Creatine C4H9N3O2 131.06947 http://www.hmdb.ca/metabolites/HMDB00064 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00064 Creatine C4H9N3O2 131.06947 http://www.hmdb.ca/metabolites/HMDB00064 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00064 Creatine C4H9N3O2 131.06947 http://www.hmdb.ca/metabolites/HMDB00064 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00064 Creatine C4H9N3O2 131.06947 http://www.hmdb.ca/metabolites/HMDB00064 HMDB NA NA +HMDB00064 Creatine C4H9N3O2 131.06947 Long chain acyl carnitines ;SYN:(-)-Stearoylcarnitine; (R)-3-carboxy-N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-1-Propanaminium inner salt; (R)-Stearoylcarnitine; L-(3-carboxy-2-hydroxypropyl)trimethyl-Ammonium stearate hydroxide inner salt; L-Stearic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; L-Stearoylcarnitine; Stearoyl-L-carnitine; Stearoylcarnitine;acylcarnitine C18:0;Octadecanoylcarnitine; Octadecanoyl-L-carnitineH2Blood; Urine Inhouse_peptide NA peptide +HMDB00064 Creatine C4H9N3O2 131.06947 http://www.hmdb.ca/metabolites/HMDB00064 PFEM_hmdb_metabocards_blood NA blood +HMDB00064 Creatine C4H9N3O2 131.06947 HMDB00064 PFEM_hmdb_metabocards_official NA NA +LABER025 Creatine C4H9N3O2 131.069473 RT 2.30; 2.40 fragt PFEM_hmdb_metabocards_urine NA urine +LABER025 Creatine C4H9N3O2 131.069473 RT 2.30; 2.40 fragt BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER025 Creatine C4H9N3O2 131.069473 RT 2.30; 2.40 fragt Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER025 Creatine C4H9N3O2 131.069473 RT 2.30; 2.40 fragt banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER025 Creatine C4H9N3O2 131.069473 RT 2.30; 2.40 fragt HMDB NA NA +HMDB00064 Creatine C4H9N3O2 131.069473 NA HMDB2010 NA NA +HMDB13222 beta-Guanidinopropionic acid C4H9N3O2 131.069473 NA HMDB2010 NA NA +LABER025 Creatine C4H9N3O2 131.069473 RT 2.30; 2.40 fragt Inhouse_PFEM NA NA +LABER025 Creatine C4H9N3O2 131.069473 RT 2.30; 2.40 fragt Inhousejuil11 NA NA +LABER025 Creatine C4H9N3O2 131.069473 RT 2.30; 2.40 fragt PFEM_hmdb_metabocards_blood NA blood +LABER025 Creatine C4H9N3O2 131.069473 RT 2.30; 2.40 fragt PFEM_hmdb_metabocards_official NA NA +MJ001272 Creatine C4H9N3O2 131.069476 NA MeJP NA NA +MJ001273 3-Guanidinopropanoic acid C4H9N3O2 131.069476 NA MeJP NA NA +MJ001274 Creatine C4H9N3O2 131.069476 NA MeJP NA NA +MetaCyc00653 creatine [methylguanidinoacetic acid;N-amidinosarcosine;methylglycocyamine;N-methyl-N-guanylglycine;] C4H9N3O2 131.069477 57-00-1 metacyc NA NA +MetaCyc00654 3-guanidinopropanoate [3-guanidinopropionate;] C4H9N3O2 131.069477 NA metacyc NA NA +C00300 Creatine C4H9N3O2 131.0695 NA KEGG NA NA +C03065 3-Guanidinopropanoate C4H9N3O2 131.0695 NA KEGG NA NA +CJneg0092 Creatine [(M-H)]- C4H8N3O2 131.070025 C18rt(min)=0.93 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0092 Creatine [(M-H)]- C4H8N3O2 131.070025 C18rt(min)=0.93 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ001275 3-Methyl-1H-indole C9H9N 131.073499 NA MeJP NA NA +MJ001276 3-Phenylpropanoic acid; Nitrile C9H9N 131.073499 NA MeJP NA NA +MetaCyc00655 6-methyl indole [] C9H9N1 131.073499 NA metacyc NA NA +HMDB00466 3-Methylindole C9H9N 131.0735 http://www.hmdb.ca/metabolites/HMDB00466 HMDB NA NA +C02596 Tolylacetonitrile C9H9N 131.0735 NA KEGG NA NA +C02597 Tripsin inhibitor C9H9N 131.0735 NA KEGG NA NA +C02601 [Pyruvate kinase] C4H6N2O3R2 131.0735 NA KEGG NA NA +C02603 alpha-D-Mannoside C6H11O6R 131.0735 NA KEGG NA NA +C08313 Skatole C9H9N 131.0735 NA KEGG NA NA +HMDB00466 3-Methylindole C9H9N 131.0735 HMDB00466 PFEM_hmdb_metabocards_official NA NA +HMDB00466 3-Methylindole C9H9N 131.073502 NA HMDB2010 NA NA +EUR322 Isoleucine F1 F1 131.091275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR322 Isoleucine F1 NA 131.091275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR322 Isoleucine F1 F1 131.091275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR322 Isoleucine F1 NA 131.091275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR322 Isoleucine F1 F1 131.091275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR322 Isoleucine F1 NA 131.091275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR322 Isoleucine F1 F1 131.091275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR322 Isoleucine F1 F1 131.091275 standards wishlist analysés sur QTOF HMDB NA NA +EUR322 Isoleucine F1 F1 131.091275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR322 Isoleucine F1 NA 131.091275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR322 Isoleucine F1 F1 131.091275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR322 Isoleucine F1 F1 131.091275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PFEM051F1 L-Isoleucine F1 131.092 NA Inhouse_original NA NA +JH025 Isoleucine (L-) [M+H]+ C6H13NO2 131.0924 1.61 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH025 Isoleucine (L-) [M+H]+ C6H13NO2 131.0924 1.61 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH025 Isoleucine (L-) [M+H]+ C6H13NO2 131.0924 1.61 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH025 Isoleucine (L-) [M+H]+ C6H13NO2 131.0924 1.61 Inhousejuil11 NA NA +EUR324 Leucine F1 NA 131.092675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR324 Leucine F1 NA 131.092675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR324 Leucine F1 NA 131.092675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR324 Leucine F1 NA 131.092675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR324 Leucine F1 NA 131.092675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR324 Leucine F1 NA 131.092675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR324 Leucine F1 NA 131.092675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR324 Leucine F1 NA 131.092675 standards wishlist analysés sur QTOF HMDB NA NA +EUR324 Leucine F1 NA 131.092675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR324 Leucine F1 NA 131.092675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR324 Leucine F1 NA 131.092675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR324 Leucine F1 NA 131.092675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +JH026 Leucine (DL) [M+H]+ C6H13NO2 131.093 1.64 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH026 Leucine (DL) [M+H]+ C6H13NO2 131.093 1.64 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH026 Leucine (DL) [M+H]+ C6H13NO2 131.093 1.64 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH026 Leucine (DL) [M+H]+ C6H13NO2 131.093 1.64 Inhousejuil11 NA NA +CJpos0226 Norleucine [(M+H)]+ C6H14NO2 131.094075 C18rt(min)=2.48 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0227 6-Aminocaproic acid [(M+H)]+ C6H14NO2 131.094075 C18rt(min)=1.04 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0228 Leucine (and isomers) [M+H]+ C6H14O2N 131.094075 C18rt(min)=1.08 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0226 Norleucine [(M+H)]+ C6H14NO2 131.094075 C18rt(min)=2.48 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0227 6-Aminocaproic acid [(M+H)]+ C6H14NO2 131.094075 C18rt(min)=1.04 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0228 Leucine (and isomers) [M+H]+ C6H14O2N 131.094075 C18rt(min)=1.08 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +EUR557 Leucine/isoleucine NA 131.094175 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR557 Leucine/isoleucine [M+H]+ 131.094175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR557 Leucine/isoleucine NA 131.094175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR557 Leucine/isoleucine [M+H]+ 131.094175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR557 Leucine/isoleucine NA 131.094175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR557 Leucine/isoleucine [M+H]+ 131.094175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR557 Leucine/isoleucine NA 131.094175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR557 Leucine/isoleucine NA 131.094175 identifiés dans sérum NuGO HMDB NA NA +EUR557 Leucine/isoleucine NA 131.094175 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR557 Leucine/isoleucine [M+H]+ 131.094175 identifies dans serum NuGO Inhousejuil11 NA NA +EUR557 Leucine/isoleucine NA 131.094175 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR557 Leucine/isoleucine NA 131.094175 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +LABER002 Leucine C6H13NO2 131.0946 RT 2.92 fragt 132, 86, 44, 69 PFEM_hmdb_metabocards_urine NA urine +LABER014 Isoleucine HMDB00172_RT3.77_add86 131.0946 RT 2.91 fragt 132, 86, 44, 69 PFEM_hmdb_metabocards_urine NA urine +EUR029 L-Isoleucine C6H13NO2 131.0946 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR030 L-Leucine C6H13NO2 131.0946 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR609 Isoleucine [M+H]+ 131.0946 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR610 Leucine [M+H]+ 131.0946 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER002 Leucine C6H13NO2 131.0946 RT 2.92 fragt 132, 86, 44, 69 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER014 Isoleucine HMDB00172_RT3.77_add86 131.0946 RT 2.91 fragt 132, 86, 44, 69 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR029 L-Isoleucine C6H13NO2 131.0946 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR030 L-Leucine C6H13NO2 131.0946 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR609 Isoleucine [M+H]+ 131.0946 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR610 Leucine [M+H]+ 131.0946 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER002 Leucine C6H13NO2 131.0946 RT 2.92 fragt 132, 86, 44, 69 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER014 Isoleucine HMDB00172_RT3.77_add86 131.0946 RT 2.91 fragt 132, 86, 44, 69 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR029 L-Isoleucine C6H13NO2 131.0946 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR030 L-Leucine C6H13NO2 131.0946 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR609 Isoleucine [M+H]+ 131.0946 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR610 Leucine [M+H]+ 131.0946 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER002 Leucine C6H13NO2 131.0946 RT 2.92 fragt 132, 86, 44, 69 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER014 Isoleucine HMDB00172_RT3.77_add86 131.0946 RT 2.91 fragt 132, 86, 44, 69 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER002 Leucine C6H13NO2 131.0946 RT 2.92 fragt 132, 86, 44, 69 HMDB NA NA +LABER014 Isoleucine HMDB00172_RT3.77_add86 131.0946 RT 2.91 fragt 132, 86, 44, 69 HMDB NA NA +LABER002 Leucine C6H13NO2 131.0946 RT 2.92 fragt 132, 86, 44, 69 Inhouse_PFEM NA NA +LABER014 Isoleucine HMDB00172_RT3.77_add86 131.0946 RT 2.91 fragt 132, 86, 44, 69 Inhouse_PFEM NA NA +LABER002 Leucine C6H13NO2 131.0946 132.1018 Inhouse_sept12 NA NA +LABER014 Isoleucine NA 131.0946 132.1018 Inhouse_sept12 NA NA +EUR029 L-Isoleucine C6H13NO2 131.0946 Wishlist Inhousejuil11 NA NA +EUR030 L-Leucine C6H13NO2 131.0946 Wishlist Inhousejuil11 NA NA +EUR609 Isoleucine [M+H]+ 131.0946 identifies dans standard mixture NuGO Inhousejuil11 NA NA +EUR610 Leucine [M+H]+ 131.0946 identifies dans standard mixture NuGO Inhousejuil11 NA NA +LABER002 Leucine C6H13NO2 131.0946 RT 2.92 fragt 132, 86, 44, 69 Inhousejuil11 NA NA +LABER014 Isoleucine HMDB00172_RT3.77_add86 131.0946 RT 2.91 fragt 132, 86, 44, 69 Inhousejuil11 NA NA +C00123 L-Leucine C6H13NO2 131.0946 NA KEGG NA NA +C00407 L-Isoleucine C6H13NO2 131.0946 NA KEGG NA NA +C01570 D-Leucine C6H13NO2 131.0946 NA KEGG NA NA +C01933 L-Norleucine C6H13NO2 131.0946 NA KEGG NA NA +C02378 6-Aminohexanoate C6H13NO2 131.0946 NA KEGG NA NA +C02486 (3R)-beta-Leucine C6H13NO2 131.0946 NA KEGG NA NA +C06418 D-Isoleucine C6H13NO2 131.0946 NA KEGG NA NA +C08263 beta-Alaninebetaine C6H13NO2 131.0946 NA KEGG NA NA +C16434 Isoleucine C6H13NO2 131.0946 NA KEGG NA NA +C16439 Leucine C6H13NO2 131.0946 NA KEGG NA NA +C16647 N,N-Diethylglycine C6H13NO2 131.0946 NA KEGG NA NA +PJ000008 L C6H13NO2 131.0946 NA PeJP NA NA +LABER002 Leucine C6H13NO2 131.0946 RT 2.92 fragt 132, 86, 44, 69 PFEM_hmdb_metabocards_blood NA blood +LABER014 Isoleucine HMDB00172_RT3.77_add86 131.0946 RT 2.91 fragt 132, 86, 44, 69 PFEM_hmdb_metabocards_blood NA blood +LABER002 Leucine C6H13NO2 131.0946 RT 2.92 fragt 132, 86, 44, 69 PFEM_hmdb_metabocards_official NA NA +LABER014 Isoleucine HMDB00172_RT3.77_add86 131.0946 RT 2.91 fragt 132, 86, 44, 69 PFEM_hmdb_metabocards_official NA NA +MJ001277 2-Amino-3,3-dimethylbutanoic acid C6H13NO2 131.094628 NA MeJP NA NA +MJ001278 2-Amino-3-methylpentanoic acid C6H13NO2 131.094628 NA MeJP NA NA +MJ001279 2-Methyl-3,4-piperidinediol C6H13NO2 131.094628 NA MeJP NA NA +MJ001280 3-Amino-2-methylpentanoic acid C6H13NO2 131.094628 NA MeJP NA NA +MJ001281 6-Aminohexanoic acid C6H13NO2 131.094628 NA MeJP NA NA +MJ001282 Alanine trimethylbetaine C6H13NO2 131.094628 NA MeJP NA NA +MJ001283 Leucine C6H13NO2 131.094628 NA MeJP NA NA +MJ001284 (3R)-beta-Leucine C6H13NO2 131.094628 NA MeJP NA NA +MJ001285 6-Aminohexanoate C6H13NO2 131.094628 NA MeJP NA NA +MJ001286 L-Isoleucine C6H13NO2 131.094628 NA MeJP NA NA +MJ001287 L-Leucine C6H13NO2 131.094628 NA MeJP NA NA +MetaCyc00656 L-2-aminohexanoate [L-norleucine;L-2-aminohexanoic acid;L-aminohexanoate;L-aminohexanoic acid;] C6H13N1O2 131.094629 327-57-1 metacyc NA NA +MetaCyc00657 6-aminohexanoate [capracid;caplamin;caprolisin;capramol;capralense;aminokapron;atsemin;afibrin;acepramine;hexanoic acid, 6-amino-;6-amino-n-hexanoic acid;6-aminocaproic acid;acepramin;ε-aminocaproate;6-amino-n-caproic acid;aminocaproic acid;amicar;epsilcapramine;6-amino-n-caproate;6-aminohexanoic acid;ε-aminocaproic acid;] C6H13N1O2 131.094629 60-32-2 metacyc NA NA +MetaCyc00658 β-leucine [(3R)-β-2-amino-4-methylvaleric acid;L-β-leucine;3-amino-4-methylpentanoate;(3R)-β-leucine;] C6H13N1O2 131.094629 NA metacyc NA NA +MetaCyc00659 L-leucine [(2S)-α-2-amino-4-methylvaleric acid;L;leu;leucine;2-amino-4-methylvaleric acid;(2S)-α-leucine;] C6H13N1O2 131.094629 61-90-5 metacyc NA NA +MetaCyc00660 L-isoleucine [I;ile;iso-leucine;] C6H13N1O2 131.094629 73-32-5 metacyc NA NA +MetaCyc00661 β-alanine betaine [N,N,N-trimethyl-β-alanine;] C6H13N1O2 131.094629 NA metacyc NA NA +HMDB00172 L-Isoleucine C6H13NO2 131.094635 NA HMDB2010 NA NA +HMDB00557 L-Alloisoleucine C6H13NO2 131.094635 NA HMDB2010 NA NA +HMDB00687 L-Leucine C6H13NO2 131.094635 NA HMDB2010 NA NA +HMDB01645 L-Norleucine C6H13NO2 131.094635 NA HMDB2010 NA NA +HMDB01901 Aminocaproic acid C6H13NO2 131.094635 NA HMDB2010 NA NA +HMDB03640 Beta-Leucine C6H13NO2 131.094635 NA HMDB2010 NA NA +HMDB00172 L-Isoleucine C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB00172 PFEM_hmdb_metabocards_urine NA urine +HMDB00687 L-Leucine C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB00687 PFEM_hmdb_metabocards_urine NA urine +HMDB00172 L-Isoleucine C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB00172 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00687 L-Leucine C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB00687 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01901 e-Aminocaproic acid C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB01901 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03640 beta-Leucine C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB03640 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00172 L-Isoleucine C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB00172 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00687 L-Leucine C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB00687 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00172 L-Isoleucine C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB00172 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00687 L-Leucine C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB00687 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00172 L-Isoleucine C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB00172 HMDB NA NA +HMDB00687 L-Leucine C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB00687 HMDB NA NA +HMDB01645 L-Norleucine C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB01645 HMDB NA NA +HMDB01901 e-Aminocaproic acid C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB01901 HMDB NA NA +HMDB03640 beta-Leucine C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB03640 HMDB NA NA +HMDB00172 L-Isoleucine C6H13NO2 131.09464 Polypeptides ;SYN:[leu]enkephalin; [Leu 5]enkephalin; [5-Leucine]Enkephalin; [Leu5]-Enkephalin; Leucine enkephalinH2Blood Inhouse_peptide NA peptide +HMDB00557 L-Alloisoleucine C6H13NO2 131.09464 NA ;SYN:3-Chloro-L-tyrosine; L-(8CI)-3-chloro-Tyrosine; Monochlorotyrosine; ChlorotyrosineH2Blood; Urine Inhouse_peptide NA peptide +HMDB00687 L-Leucine C6H13NO2 131.09464 NA ;SYN:DL-Methionine sulfoxide; L-Methionine sulfoxide; S-oxide-methionine; alpha-amino-gamma-(methylsulfinyl)-Butyric acid; 2-amino-4-(methylsulfinyl)-Butanoic acid; 2-amino-4-(methylsulfinyl)-Butanoate; L-methionine R-oxide;L-methionine (S)-S-oxideH2Blood; Urine Inhouse_peptide NA peptide +HMDB01901 Aminocaproic acid C6H13NO2 131.09464 NA ;SYN:(2S)-2-acetamido-5-aminopentanoic acid; AOR; N(2)-acetyl-L-ornithine; N2-Acetyl-L-ornithine; (2S)-2-acetamido-5-aminopentanoate; Acetyl-OrnithineH2Blood; Urine Inhouse_peptide NA peptide +HMDB03640 Beta-Leucine C6H13NO2 131.09464 NA ;SYN:1-Methyl-5-imidazoleacetic acid; 1-methyl-Imidazole-5-acetic acidH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00172 L-Isoleucine C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB00172 PFEM_hmdb_metabocards_blood NA blood +HMDB00687 L-Leucine C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB00687 PFEM_hmdb_metabocards_blood NA blood +HMDB01901 e-Aminocaproic acid C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB01901 PFEM_hmdb_metabocards_blood NA blood +HMDB03640 beta-Leucine C6H13NO2 131.09464 http://www.hmdb.ca/metabolites/HMDB03640 PFEM_hmdb_metabocards_blood NA blood +HMDB00172 L-Isoleucine C6H13NO2 131.09464 HMDB00172 PFEM_hmdb_metabocards_official NA NA +HMDB00687 L-Leucine C6H13NO2 131.09464 HMDB00687 PFEM_hmdb_metabocards_official NA NA +HMDB01645 L-Norleucine C6H13NO2 131.09464 HMDB01645 PFEM_hmdb_metabocards_official NA NA +HMDB01901 e-Aminocaproic acid C6H13NO2 131.09464 HMDB01901 PFEM_hmdb_metabocards_official NA NA +HMDB03640 beta-Leucine C6H13NO2 131.09464 HMDB03640 PFEM_hmdb_metabocards_official NA NA +CJneg0093 N-Acetylleucine [(M-H)-(C2H2O)]- C6H12NO2 131.095225 C18rt(min)=6.23 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0093 N-Acetylleucine [(M-H)-(C2H2O)]- C6H12NO2 131.095225 C18rt(min)=6.23 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ001288 (4-Aminobutyl)urea C5H13N3O 131.105862 NA MeJP NA NA +MJ001289 (4-Hydroxybutyl)guanidine C5H13N3O 131.105862 NA MeJP NA NA +MJ001290 N-Carbamoylputrescine C5H13N3O 131.105862 NA MeJP NA NA +MetaCyc00662 N-carbamoylputrescine [] C5H13N3O1 131.105862 6851-51-0 metacyc NA NA +C00436 N-Carbamoylputrescine C5H13N3O 131.1059 NA KEGG NA NA +C17146 4-Guanidino-1-butanol C5H13N3O 131.1059 NA KEGG NA NA +CJpos0229 N-Acetylputrescine (and isomer) [(M+H)]+ (13C) C513CH15N2O 131.113375 C18rt(min)=1 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0229 N-Acetylputrescine (and isomer) [(M+H)]+ (13C) C513CH15N2O 131.113375 C18rt(min)=1 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +C03375 Norspermidine C6H17N3 131.1422 NA KEGG NA NA +C03376 Blood group A substance C6H17N3 131.1422 NA KEGG NA NA +C03377 Blood group B substance C6H17N3 131.1422 NA KEGG NA NA +C03378 Coagulation Factor VIIa C6H17N3 131.1422 NA KEGG NA NA +C03379 Coagulation Factor XIIa C6H17N3 131.1422 NA KEGG NA NA +C03380 Complement component C2 C6H17N3 131.1422 NA KEGG NA NA +C03381 Complement component C4 C6H17N3 131.1422 NA KEGG NA NA +C03382 Complement receptor CR1 C6H17N3 131.1422 NA KEGG NA NA +HMDB11634 Norspermidine C6H17N3 131.142242 NA HMDB2010 NA NA +MJ001291 3,3'-Diaminodipropylamine C6H17N3 131.142247 NA MeJP NA NA +MetaCyc00663 bis(3-aminopropyl)amine [3,3'-Iminobispropylamine;] C6H17N3 131.142248 56-18-8 metacyc NA NA +MJ001292 Aluminium(III) chloride (AlCl3) AlCl3 131.888096 NA MeJP NA NA +MJ001293 Xenon Xe 131.904154 NA MeJP NA NA +C13373 Xenon Xe 131.9042 NA KEGG NA NA +C13374 Transferred to D01902 Xe 131.9042 NA KEGG NA NA +C13375 Transferred to D01903 Xe 131.9042 NA KEGG NA NA +MJ001294 1,1,2-Trichloroethane C2H3Cl3 131.930033 NA MeJP NA NA +MetaCyc00664 1,1,2-trichloroethane [] C2H3CL3 131.930033 NA metacyc NA NA +MetaCyc00665 1,1,1-trichloroethane [] C2H3CL3 131.930033 NA metacyc NA NA +HMDB03256 Malate C4H4O5 132.00587 http://www.hmdb.ca/metabolites/HMDB03256 PFEM_hmdb_metabocards_urine NA urine +HMDB03256 Malate C4H4O5 132.00587 http://www.hmdb.ca/metabolites/HMDB03256 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB03256 Malate C4H4O5 132.00587 http://www.hmdb.ca/metabolites/HMDB03256 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00223 Oxalacetic acid C4H4O5 132.00587 http://www.hmdb.ca/metabolites/HMDB00223 HMDB NA NA +HMDB03256 Malate C4H4O5 132.00587 http://www.hmdb.ca/metabolites/HMDB03256 HMDB NA NA +HMDB00223 Oxalacetic acid C4H4O5 132.00587 HMDB00223 PFEM_hmdb_metabocards_official NA NA +HMDB03256 Malate C4H4O5 132.00587 HMDB03256 PFEM_hmdb_metabocards_official NA NA +MJ001295 trans-2,3-Epoxysuccinate C4H4O5 132.005873 NA MeJP NA NA +MJ001296 2-Hydroxyethylenedicarboxylate C4H4O5 132.005873 NA MeJP NA NA +MJ001297 Oxaloacetate C4H4O5 132.005873 NA MeJP NA NA +MJ001298 2,3-Oxiranedicarboxylic acid C4H4O5 132.005873 NA MeJP NA NA +MJ001299 Oxobutanedioic acid C4H4O5 132.005873 NA MeJP NA NA +MetaCyc00666 oxaloacetate [keto-oxaloacetate;oxaloacetic acid;oxalacetic acid;oxaloacetate;oxalacetate;] C4H4O5 132.005873 328-42-7 metacyc NA NA +MetaCyc00667 enol-oxaloacetate [enol-oxaloacetic acid;2-hydroxyethylenedicarboxylate;] C4H4O5 132.005873 2088920 metacyc NA NA +MetaCyc00668 trans-2,3-Epoxysuccinate [] C4H4O5 132.005873 NA metacyc NA NA +HMDB00223 Oxalacetic acid C4H4O5 132.005875 NA HMDB2010 NA NA +C00036 Oxaloacetate C4H4O5 132.0059 NA KEGG NA NA +C03548 trans-2,3-Epoxysuccinate C4H4O5 132.0059 NA KEGG NA NA +C03981 2-Hydroxyethylenedicarboxylate C4H4O5 132.0059 NA KEGG NA NA +C00802 Oxalureate C3H4N2O4 132.0171 NA KEGG NA NA +MetaCyc00669 oxalureate [Oxaluric acid;Monooxalylurea;] C3H4N2O4 132.017107 585-05-7 metacyc NA NA +MetaCyc00670 (NH4)2SO4 [ammonium sulfate;] H8N2O4S1 132.020477 NA metacyc NA NA +MJ001300 2,4,6-Octatriynoic acid C8H4O2 132.021129 NA MeJP NA NA +EUR291 Methionine F2 F2 132.022775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR291 Methionine F2 NA 132.022775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR291 Methionine F2 F2 132.022775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR291 Methionine F2 NA 132.022775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR291 Methionine F2 F2 132.022775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR291 Methionine F2 NA 132.022775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR291 Methionine F2 F2 132.022775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR291 Methionine F2 F2 132.022775 standards wishlist analysés sur QTOF HMDB NA NA +EUR291 Methionine F2 F2 132.022775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR291 Methionine F2 NA 132.022775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR291 Methionine F2 F2 132.022775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR291 Methionine F2 F2 132.022775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0230 Methionine (and isomer) [(M+H)-(NH3)]+ C5H9O2S 132.023975 C18rt(min)=1.08 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0230 Methionine (and isomer) [(M+H)-(NH3)]+ C5H9O2S 132.023975 C18rt(min)=1.08 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C11074 THTC C5H8O2S 132.0245 NA KEGG NA NA +C16630 5,6-Dihydro-5-fluorouracil C4H5FN2O2 132.0335 NA KEGG NA NA +7616 ACE inhibitor GG 132.042 antioxidative Inhouse_peptide NA peptide +HMDB00576 Monoethyl malonic acid C5H8O4 132.042252 NA HMDB2010 NA NA +HMDB00622 Ethylmalonic acid C5H8O4 132.042252 NA HMDB2010 NA NA +HMDB00661 Glutaric acid C5H8O4 132.042252 NA HMDB2010 NA NA +HMDB01844 Methylsuccinic acid C5H8O4 132.042252 NA HMDB2010 NA NA +HMDB02001 Dimethylmalonic acid C5H8O4 132.042252 NA HMDB2010 NA NA +HMDB06833 2-Acetolactate C5H8O4 132.042252 NA HMDB2010 NA NA +HMDB06855 (S)-2-Acetolactate C5H8O4 132.042252 NA HMDB2010 NA NA +MJ001301 (R)-3-Hydroxy-3-methyl-2-oxobutanoate C5H8O4 132.042258 NA MeJP NA NA +MJ001302 (S)-2-Acetolactate C5H8O4 132.042258 NA MeJP NA NA +MJ001303 2-Acetolactate C5H8O4 132.042258 NA MeJP NA NA +MJ001304 4-Hydroxy-2-oxopentanoate C5H8O4 132.042258 NA MeJP NA NA +MJ001305 Glutarate C5H8O4 132.042258 NA MeJP NA NA +MJ001306 alpha-Hydroxymethyl succinate semialdehyde C5H8O4 132.042258 NA MeJP NA NA +MJ001307 2-C-Methyl-1,4-erythronolactone C5H8O4 132.042258 NA MeJP NA NA +MJ001308 3,4-Dihydroxy-2-methylenebutanoic acid C5H8O4 132.042258 NA MeJP NA NA +MJ001309 4,5-Dihydro-3,4-dihydroxy-3-methyl-2(3H)-furanone C5H8O4 132.042258 NA MeJP NA NA +MJ001310 4,5-Dihydro-3-hydroxy-5-(hydroxymethyl)-2(3H)-furanone C5H8O4 132.042258 NA MeJP NA NA +MJ001311 4,5-Dihydro-4-hydroxy-5-(hydroxymethyl)-2(3H)-furanone C5H8O4 132.042258 NA MeJP NA NA +MJ001312 5-Deoxy-1,4-lyxonolactone C5H8O4 132.042258 NA MeJP NA NA +MJ001313 5-Hydroxy-4-oxopentanoic acid C5H8O4 132.042258 NA MeJP NA NA +MJ001314 Arabinan C5H8O4 132.042258 NA MeJP NA NA +MJ001315 Pentanedioic acid C5H8O4 132.042258 NA MeJP NA NA +MJ001316 Xylan C5H8O4 132.042258 NA MeJP NA NA +MetaCyc00671 glutarate [] C5H8O4 132.042259 NA metacyc NA NA +MetaCyc00672 4,5-dihydroxy-2,3-pentanedione [(S)-4,5-dihydroxypentan-2,3-dione;DHPD;] C5H8O4 132.042259 NA metacyc NA NA +MetaCyc00673 2-deoxyribonolactone [deoxyribonolactone;] C5H8O4 132.042259 NA metacyc NA NA +MetaCyc00674 mono-methyl hydrogen succinate [butanedioic acid, monomethyl ester;methyl hydrogen succinate;] C5H8O4 132.042259 3878-55-5 metacyc NA NA +MetaCyc00675 3-hydroxy-3-methyl-2-oxobutanoate [2-Oxo-3-hydroxyisovalerate;] C5H8O4 132.042259 NA metacyc NA NA +MetaCyc00676 4-hydroxy-2-ketovalerate [HKP;4-hydroxy-2-keto-pentanoic acid;4-hydroxy-2-ketovaleric acid;4-hydroxy-2-oxo-valeric acid;4-hydroxy-2-oxo-pentanoic acid;4-hydroxy-2-oxovaleric acid;2-oxo-4-hydroxyvalerate;4-hydroxy-2-oxo-valerate;4-hydroxy-2-oxopentanoate;] C5H8O4 132.042259 111844-33-8 metacyc NA NA +MetaCyc00677 2-hydroxymethyl-4-oxobutanoate [α-hydroxymethyl succinate semialdehyde;2-hydroxymethyl succinate semialdehyde;] C5H8O4 132.042259 NA metacyc NA NA +MetaCyc00678 2-acetolactate [(S)-2-hydroxy-2-methyl-3-oxobutanoate;α-acetolactate;] C5H8O4 132.042259 NA metacyc NA NA +MetaCyc00679 methylsuccinate [] C5H8O4 132.042259 NA metacyc NA NA +EUR611 Glutaric acid NA 132.04226 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +EUR611 Glutaric acid NA 132.04226 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR611 Glutaric acid NA 132.04226 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR611 Glutaric acid NA 132.04226 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR611 Glutaric acid NA 132.04226 identifiés dans standard mixture NuGO HMDB NA NA +EUR611 Glutaric acid NA 132.04226 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +EUR611 Glutaric acid C5H8O4 132.04226 133.04946 Inhouse_sept12 NA NA +EUR611 Glutaric acid NA 132.04226 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR611 Glutaric acid NA 132.04226 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +HMDB00622 Ethylmalonic acid C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB00622 PFEM_hmdb_metabocards_urine NA urine +HMDB00661 Glutaric acid C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB00661 PFEM_hmdb_metabocards_urine NA urine +HMDB01844 Methylsuccinic acid C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB01844 PFEM_hmdb_metabocards_urine NA urine +HMDB00661 Glutaric acid C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB00661 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00622 Ethylmalonic acid C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB00622 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00661 Glutaric acid C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB00661 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01844 Methylsuccinic acid C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB01844 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00622 Ethylmalonic acid C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB00622 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00661 Glutaric acid C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB00661 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01844 Methylsuccinic acid C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB01844 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00576 Monoethyl malonic acid C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB00576 HMDB NA NA +HMDB00622 Ethylmalonic acid C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB00622 HMDB NA NA +HMDB00661 Glutaric acid C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB00661 HMDB NA NA +HMDB01844 Methylsuccinic acid C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB01844 HMDB NA NA +HMDB02001 Dimethylmalonic acid C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB02001 HMDB NA NA +HMDB06833 2-Acetolactate C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB06833 HMDB NA NA +HMDB06855 (S)-2-Acetolactate C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB06855 HMDB NA NA +HMDB00661 Glutaric acid C5H8O4 132.04227 http://www.hmdb.ca/metabolites/HMDB00661 PFEM_hmdb_metabocards_blood NA blood +HMDB00576 Monoethyl malonic acid C5H8O4 132.04227 HMDB00576 PFEM_hmdb_metabocards_official NA NA +HMDB00622 Ethylmalonic acid C5H8O4 132.04227 HMDB00622 PFEM_hmdb_metabocards_official NA NA +HMDB00661 Glutaric acid C5H8O4 132.04227 HMDB00661 PFEM_hmdb_metabocards_official NA NA +HMDB01844 Methylsuccinic acid C5H8O4 132.04227 HMDB01844 PFEM_hmdb_metabocards_official NA NA +HMDB02001 Dimethylmalonic acid C5H8O4 132.04227 HMDB02001 PFEM_hmdb_metabocards_official NA NA +HMDB06833 2-Acetolactate C5H8O4 132.04227 HMDB06833 PFEM_hmdb_metabocards_official NA NA +HMDB06855 (S)-2-Acetolactate C5H8O4 132.04227 HMDB06855 PFEM_hmdb_metabocards_official NA NA +EUR611 Glutaric acid [M-H]- 132.0423 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR611 Glutaric acid [M-H]- 132.0423 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR611 Glutaric acid [M-H]- 132.0423 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR611 Glutaric acid [M-H]- 132.0423 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00489 Glutarate C5H8O4 132.0423 NA KEGG NA NA +C00900 2-Acetolactate C5H8O4 132.0423 NA KEGG NA NA +C02674 Deoxyribonolactone C5H8O4 132.0423 NA KEGG NA NA +C03589 4-Hydroxy-2-oxopentanoate C5H8O4 132.0423 NA KEGG NA NA +C04106 2-(Hydroxymethyl)-4-oxobutanoate C5H8O4 132.0423 NA KEGG NA NA +C04181 3-Hydroxy-3-methyl-2-oxobutanoic acid C5H8O4 132.0423 NA KEGG NA NA +C06010 (S)-2-Acetolactate C5H8O4 132.0423 NA KEGG NA NA +C11838 (4S)-4,5-Dihydroxypentan-2,3-dione C5H8O4 132.0423 NA KEGG NA NA +HMDB00844 Pteridine C6H4N4 132.04359 http://www.hmdb.ca/metabolites/HMDB00844 HMDB NA NA +HMDB00844 Pteridine C6H4N4 132.04359 HMDB00844 PFEM_hmdb_metabocards_official NA NA +MetaCyc00680 pteridine-ring [] C6H4N4 132.043596 NA metacyc NA NA +JH027 Glutaric acid C5H8O4 132.0436 Rtobs4.25 PFEM_hmdb_metabocards_urine NA urine +JH027 Glutaric acid [M+H]+ C5H8O4 132.0436 4.25 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH027 Glutaric acid C5H8O4 132.0436 Rtobs4.25 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH027 Glutaric acid [M+H]+ C5H8O4 132.0436 4.25 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH027 Glutaric acid C5H8O4 132.0436 Rtobs4.25 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH027 Glutaric acid [M+H]+ C5H8O4 132.0436 4.25 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH027 Glutaric acid C5H8O4 132.0436 Rtobs4.25 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH027 Glutaric acid C5H8O4 132.0436 Rtobs4.25 HMDB NA NA +JH027 Glutaric acid C5H8O4 132.0436 Rtobs4.25 Inhouse_PFEM NA NA +JH027 Glutaric acid [M+H]+ C5H8O4 132.0436 4.25 Inhousejuil11 NA NA +C07581 Pteridine C6H4N4 132.0436 NA KEGG NA NA +JH027 Glutaric acid C5H8O4 132.0436 Rtobs4.25 PFEM_hmdb_metabocards_blood NA blood +JH027 Glutaric acid C5H8O4 132.0436 Rtobs4.25 PFEM_hmdb_metabocards_official NA NA +CJpos0231 3-ureidopropionic acid Asparagine [(M+H)]+ C4H9N2O3 132.052975 C18rt(min)=1.05 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0231 3-ureidopropionic acid § Asparagine [(M+H)]+ C4H9N2O3 132.052975 C18rt(min)=1.05 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ001317 3-Ureidopropionate C4H8N2O3 132.053492 NA MeJP NA NA +MJ001318 L-Asparagine C4H8N2O3 132.053492 NA MeJP NA NA +MJ001319 Asparagine C4H8N2O3 132.053492 NA MeJP NA NA +MJ001320 Polynoxylin C4H8N2O3 132.053492 NA MeJP NA NA +MJ001321 [(Methylamino)carbonyl]carbamic acid; Me ester C4H8N2O3 132.053492 NA MeJP NA NA +MetaCyc00681 N-carbamoyl-D-alanine [carbamoyl-D-alanine;] C4H8N2O3 132.053492 NA metacyc NA NA +MetaCyc00682 N-carbamoylsarcosine [carbamoyl sarcosine;] C4H8N2O3 132.053492 NA metacyc NA NA +MetaCyc00683 3-ureidopropionate [3-Ureidopropanoate;β-Ureidopropionic acid;N-Carbamoyl-β-alanine;] C4H8N2O3 132.053492 NA metacyc NA NA +MetaCyc00684 2-ureido-propionate [] C4H8N2O3 132.053492 NA metacyc NA NA +MetaCyc00685 L-asparagine [asparagine;α-aminosuccinamic acid;(-)-asparagine;(S)-2,4-diamino-4-oxobutanoic acid;(S)-asparagine;2,4-diamino-4-oxobutanoic acid, (S)-;2-aminosuccinamic acid, L-;agedoite;altheine;asparagine acid;aspartic acid β-amide;butanoic acid, 2,4-diamino-4-oxo-, (S)-;L-2,4-diamino-4-oxobutanoic acid;L-asparatamine;L-β-asparagine;] C4H8N2O3 132.053492 70-47-3 metacyc NA NA +MetaCyc00686 D-asparagine [] C4H8N2O3 132.053492 NA metacyc NA NA +MetaCyc00687 glycylglycine [] C4H8N2O3 132.053492 556-50-3 metacyc NA NA +HMDB00026 Ureidopropionic acid C4H8N2O3 132.053497 NA HMDB2010 NA NA +HMDB00168 L-Asparagine C4H8N2O3 132.053497 NA HMDB2010 NA NA +HMDB11733 Glycyl-glycine C4H8N2O3 132.053497 NA HMDB2010 NA NA +HMDB12265 N-Carbamoylsarcosine C4H8N2O3 132.053497 NA HMDB2010 NA NA +HMDB00026 Ureidopropionic acid C4H8N2O3 132.0535 http://www.hmdb.ca/metabolites/HMDB00026 PFEM_hmdb_metabocards_urine NA urine +HMDB00168 L-Asparagine C4H8N2O3 132.0535 http://www.hmdb.ca/metabolites/HMDB00168 PFEM_hmdb_metabocards_urine NA urine +LABER008 Asparagine NA 132.0535 RT 1.95 133, 74, 70, 87 PFEM_hmdb_metabocards_urine NA urine +LABER008 Asparagine NA 132.0535 RT 1.95 133, 74, 70, 87 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00168 L-Asparagine C4H8N2O3 132.0535 http://www.hmdb.ca/metabolites/HMDB00168 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER008 Asparagine NA 132.0535 RT 1.95 133, 74, 70, 87 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00026 Ureidopropionic acid C4H8N2O3 132.0535 http://www.hmdb.ca/metabolites/HMDB00026 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00168 L-Asparagine C4H8N2O3 132.0535 http://www.hmdb.ca/metabolites/HMDB00168 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER008 Asparagine NA 132.0535 RT 1.95 133, 74, 70, 87 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00026 Ureidopropionic acid C4H8N2O3 132.0535 http://www.hmdb.ca/metabolites/HMDB00026 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00168 L-Asparagine C4H8N2O3 132.0535 http://www.hmdb.ca/metabolites/HMDB00168 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00026 Ureidopropionic acid C4H8N2O3 132.0535 http://www.hmdb.ca/metabolites/HMDB00026 HMDB NA NA +HMDB00168 L-Asparagine C4H8N2O3 132.0535 http://www.hmdb.ca/metabolites/HMDB00168 HMDB NA NA +LABER008 Asparagine NA 132.0535 RT 1.95 133, 74, 70, 87 HMDB NA NA +LABER008 Asparagine NA 132.0535 RT 1.95 133, 74, 70, 87 Inhouse_PFEM NA NA +LABER008 Asparagine NA 132.0535 RT 1.95 133, 74, 70, 87 Inhousejuil11 NA NA +C00152 L-Asparagine C4H8N2O3 132.0535 NA KEGG NA NA +C01043 N-Carbamoylsarcosine C4H8N2O3 132.0535 NA KEGG NA NA +C01905 D-Asparagine C4H8N2O3 132.0535 NA KEGG NA NA +C02037 Glycylglycine C4H8N2O3 132.0535 NA KEGG NA NA +C02038 Glycylpeptide C2H5NO2 132.0535 NA KEGG NA NA +C02642 3-Ureidopropionate C4H8N2O3 132.0535 NA KEGG NA NA +C16438 Asparagine C4H8N2O3 132.0535 NA KEGG NA NA +PJ000009 N C4H8N2O3 132.0535 NA PeJP NA NA +HMDB00168 L-Asparagine C4H8N2O3 132.0535 http://www.hmdb.ca/metabolites/HMDB00168 PFEM_hmdb_metabocards_blood NA blood +LABER008 Asparagine NA 132.0535 RT 1.95 133, 74, 70, 87 PFEM_hmdb_metabocards_blood NA blood +LABER008 Asparagine NA 132.0535 RT 1.95 133, 74, 70, 87 PFEM_hmdb_metabocards_official NA NA +HMDB00026 Ureidopropionic acid C4H8N2O3 132.0535 HMDB00026 PFEM_hmdb_metabocards_official NA NA +HMDB00168 L-Asparagine C4H8N2O3 132.0535 HMDB00168 PFEM_hmdb_metabocards_official NA NA +HMDB00168 L-Asparagine C4H8N2O3 132.0535 Polypeptides ;SYN:Des-Asp-1-Angiotensin IIH2Blood Inhouse_peptide NA peptide +CJneg0094 3-ureidopropionic acid / Asparagine [(M-H)]- C4H7N2O3 132.054025 C18rt(min)=1.05 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0094 3-ureidopropionic acid / Asparagine [(M-H)]- C4H7N2O3 132.054025 C18rt(min)=1.05 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +HMDB06344 Alpha-N-Phenylacetyl-L-glutamine C13H16N2O4 132.055496 MH2+ Inhouse_peptide NA peptide +C00903 Cinnamaldehyde C9H8O 132.0575 NA KEGG NA NA +C01504 Indanone C9H8O 132.0575 NA KEGG NA NA +C07727 2-Indanone C9H8O 132.0575 NA KEGG NA NA +C16592 Atropaldehyde C9H8O 132.0575 NA KEGG NA NA +HMDB03441 Cinnamaldehyde C9H8O 132.05751 http://www.hmdb.ca/metabolites/HMDB03441 HMDB NA NA +HMDB03441 Cinnamaldehyde C9H8O 132.05751 HMDB03441 PFEM_hmdb_metabocards_official NA NA +HMDB03441 Cinnamaldehyde C9H8O 132.05751 NA HMDB2010 NA NA +MJ001322 3,4-Nonadiene-6,8-diyn-1-ol C9H8O 132.057514 NA MeJP NA NA +MJ001323 3,5,7-Nonatriyn-1-ol C9H8O 132.057514 NA MeJP NA NA +MJ001324 3-Phenyl-2-propenal C9H8O 132.057514 NA MeJP NA NA +MJ001325 2-Indanone C9H8O 132.057514 NA MeJP NA NA +MJ001326 Cinnamaldehyde C9H8O 132.057514 NA MeJP NA NA +MJ001327 Indanone C9H8O 132.057514 NA MeJP NA NA +MetaCyc00688 cinnamaldehyde [] C9H8O1 132.057515 NA metacyc NA NA +MetaCyc00689 2-indanone [] C9H8O1 132.057515 615-13-4 metacyc NA NA +MetaCyc00690 indanone [1-indanone;Hydrindone;1H-Inden-1-one, 2,3-dihydro-;] C9H8O1 132.057515 83-33-0 metacyc NA NA +MJ001328 4-Mercapto-4-methyl-2-pentanone C6H12OS 132.060885 NA MeJP NA NA +C06381 Methylenediurea C3H8N4O2 132.0647 NA KEGG NA NA +MetaCyc00691 methylenediurea [] C3H8N4O2 132.064726 NA metacyc NA NA +3384 ACE inhibitor VF 132.068 MH2+ Inhouse_peptide NA peptide +C01819 Indoleamine C8H8N2 132.0687 NA KEGG NA NA +C01820 Isolichenin C8H8N2 132.0687 NA KEGG NA NA +CJpos0232 Creatine [(M+H)]+ (13C) C313CH10N3O2 132.072275 C18rt(min)=0.93 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0232 Creatine [(M+H)]+ (13C) C313CH10N3O2 132.072275 C18rt(min)=0.93 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +C13773 1,1-Diethyl-2-hydroxy-2-nitrosohydrazine C4H10N3O2 132.0773 NA KEGG NA NA +C13774 Transferred to D02141 C4H10N3O2 132.0773 NA KEGG NA NA +C03264 D-2-Hydroxyisocaproate C6H12O3 132.0786 NA KEGG NA NA +C03499 Ethyl (R)-3-hydroxybutanoate C6H12O3 132.0786 NA KEGG NA NA +C06103 6-Hydroxyhexanoic acid C6H12O3 132.0786 NA KEGG NA NA +C07834 Paraldehyde C6H12O3 132.0786 NA KEGG NA NA +C07835 Transferred to D00706 C6H12O3 132.0786 NA KEGG NA NA +HMDB00525 5-Hydroxyhexanoic acid C6H12O3 132.07864 http://www.hmdb.ca/metabolites/HMDB00525 PFEM_hmdb_metabocards_urine NA urine +HMDB00525 5-Hydroxyhexanoic acid C6H12O3 132.07864 http://www.hmdb.ca/metabolites/HMDB00525 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00525 5-Hydroxyhexanoic acid C6H12O3 132.07864 http://www.hmdb.ca/metabolites/HMDB00525 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00317 2-Hydroxy-3-methylpentanoic acid C6H12O3 132.07864 http://www.hmdb.ca/metabolites/HMDB00317 HMDB NA NA +HMDB00409 (5R)-5-Hydroxyhexanoic acid C6H12O3 132.07864 http://www.hmdb.ca/metabolites/HMDB00409 HMDB NA NA +HMDB00525 5-Hydroxyhexanoic acid C6H12O3 132.07864 http://www.hmdb.ca/metabolites/HMDB00525 HMDB NA NA +HMDB00624 D-Leucic acid C6H12O3 132.07864 http://www.hmdb.ca/metabolites/HMDB00624 HMDB NA NA +HMDB00665 Leucinic acid C6H12O3 132.07864 http://www.hmdb.ca/metabolites/HMDB00665 HMDB NA NA +HMDB00746 Hydroxyisocaproic acid C6H12O3 132.07864 http://www.hmdb.ca/metabolites/HMDB00746 HMDB NA NA +HMDB01624 2-Hydroxycaproic acid C6H12O3 132.07864 http://www.hmdb.ca/metabolites/HMDB01624 HMDB NA NA +HMDB01975 2-Ethyl-2-Hydroxybutyric acid C6H12O3 132.07864 http://www.hmdb.ca/metabolites/HMDB01975 HMDB NA NA +HMDB00317 2-Hydroxy-3-methylpentanoic acid C6H12O3 132.07864 HMDB00317 PFEM_hmdb_metabocards_official NA NA +HMDB00409 (5R)-5-Hydroxyhexanoic acid C6H12O3 132.07864 HMDB00409 PFEM_hmdb_metabocards_official NA NA +HMDB00525 5-Hydroxyhexanoic acid C6H12O3 132.07864 HMDB00525 PFEM_hmdb_metabocards_official NA NA +HMDB00624 D-Leucic acid C6H12O3 132.07864 HMDB00624 PFEM_hmdb_metabocards_official NA NA +HMDB00665 Leucinic acid C6H12O3 132.07864 HMDB00665 PFEM_hmdb_metabocards_official NA NA +HMDB00746 Hydroxyisocaproic acid C6H12O3 132.07864 HMDB00746 PFEM_hmdb_metabocards_official NA NA +HMDB01624 2-Hydroxycaproic acid C6H12O3 132.07864 HMDB01624 PFEM_hmdb_metabocards_official NA NA +HMDB01975 2-Ethyl-2-Hydroxybutyric acid C6H12O3 132.07864 HMDB01975 PFEM_hmdb_metabocards_official NA NA +HMDB00317 2-Hydroxy-3-methylpentanoic acid C6H12O3 132.078644 NA HMDB2010 NA NA +HMDB00409 (5R)-5-Hydroxyhexanoic acid C6H12O3 132.078644 NA HMDB2010 NA NA +HMDB00525 5-Hydroxyhexanoic acid C6H12O3 132.078644 NA HMDB2010 NA NA +HMDB00624 D-Leucic acid C6H12O3 132.078644 NA HMDB2010 NA NA +HMDB00665 Leucinic acid C6H12O3 132.078644 NA HMDB2010 NA NA +HMDB00746 Hydroxyisocaproic acid C6H12O3 132.078644 NA HMDB2010 NA NA +HMDB01624 2-Hydroxycaproic acid C6H12O3 132.078644 NA HMDB2010 NA NA +HMDB01975 2-Ethyl-2-Hydroxybutyric acid C6H12O3 132.078644 NA HMDB2010 NA NA +HMDB10718 (R)-3-Hydroxyhexanoic acid C6H12O3 132.078644 NA HMDB2010 NA NA +MJ001329 2,4,6-Trimethyl-1,3,5-trioxane C6H12O3 132.078644 NA MeJP NA NA +MJ001330 2-Hydroxy-3-methylpentanoic acid C6H12O3 132.078644 NA MeJP NA NA +MJ001331 2-Hydroxy-4-methylpentanoic acid C6H12O3 132.078644 NA MeJP NA NA +MJ001332 2-Hydroxyhexanoic acid C6H12O3 132.078644 NA MeJP NA NA +MJ001333 3-Hydroxy-3-methylpentanoic acid C6H12O3 132.078644 NA MeJP NA NA +MJ001334 4,5-Dihydroxyhexanal C6H12O3 132.078644 NA MeJP NA NA +MJ001335 5-Hydroxy-4,4-dimethyl-1,3-dioxane C6H12O3 132.078644 NA MeJP NA NA +MJ001336 6-Hydroxyhexanoate C6H12O3 132.078644 NA MeJP NA NA +MetaCyc00692 6-hydroxyhexanoate [] C6H12O3 132.078644 NA metacyc NA NA +HMDB00214 Ornithine C5H12N2O2 132.08987 http://www.hmdb.ca/metabolites/HMDB00214 PFEM_hmdb_metabocards_urine NA urine +HMDB00214 Ornithine C5H12N2O2 132.08987 http://www.hmdb.ca/metabolites/HMDB00214 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03374 D-Ornithine C5H12N2O2 132.08987 http://www.hmdb.ca/metabolites/HMDB03374 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00214 Ornithine C5H12N2O2 132.08987 http://www.hmdb.ca/metabolites/HMDB00214 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00214 Ornithine C5H12N2O2 132.08987 http://www.hmdb.ca/metabolites/HMDB00214 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00214 Ornithine C5H12N2O2 132.08987 http://www.hmdb.ca/metabolites/HMDB00214 HMDB NA NA +HMDB03374 D-Ornithine C5H12N2O2 132.08987 http://www.hmdb.ca/metabolites/HMDB03374 HMDB NA NA +HMDB00214 Ornithine C5H12N2O2 132.08987 NA ;SYN:5-amino-4-oxo-Pentanoate; 5-amino-4-oxo-Pentanoic acid; 5-Amino-4-oxopentanoate; 5-Amino-4-oxopentanoic acid; 5-Amino-4-oxovalerate; 5-Amino-4-oxovaleric acid; 5-amino-Levulinate; 5-amino-Levulinic acid; 5-aminolaevulinate; 5-Aminolaevulinic acid; 5-Aminolevulinate; Aladerm; Amino-levulinic acid; Aminolevulinate; Aminolevulinic acid; delta-aminolevulinate; delta-Aminolevulinic acid; KerastickH2Blood; Urine Inhouse_peptide NA peptide +HMDB03374 D-Ornithine C5H12N2O2 132.08987 NA ;SYN:N2-Acetyl-L-arginine; N-alpha-l-acetyl-arginine; N-acetyl-l-arginine; N-alpha-Acetyl-L-arginineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00214 Ornithine C5H12N2O2 132.08987 http://www.hmdb.ca/metabolites/HMDB00214 PFEM_hmdb_metabocards_blood NA blood +HMDB03374 D-Ornithine C5H12N2O2 132.08987 http://www.hmdb.ca/metabolites/HMDB03374 PFEM_hmdb_metabocards_blood NA blood +HMDB00214 Ornithine C5H12N2O2 132.08987 HMDB00214 PFEM_hmdb_metabocards_official NA NA +HMDB03374 D-Ornithine C5H12N2O2 132.08987 HMDB03374 PFEM_hmdb_metabocards_official NA NA +LABER056 ornithine NA 132.089874 RT 1.64 fragt 133, 70, 116 PFEM_hmdb_metabocards_urine NA urine +LABER056 ornithine NA 132.089874 RT 1.64 fragt 133, 70, 116 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER056 ornithine NA 132.089874 RT 1.64 fragt 133, 70, 116 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER056 ornithine NA 132.089874 RT 1.64 fragt 133, 70, 116 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER056 ornithine NA 132.089874 RT 1.64 fragt 133, 70, 116 HMDB NA NA +HMDB00214 Ornithine C5H12N2O2 132.089874 NA HMDB2010 NA NA +HMDB03374 D-Ornithine C5H12N2O2 132.089874 NA HMDB2010 NA NA +LABER056 ornithine NA 132.089874 RT 1.64 fragt 133, 70, 116 Inhouse_PFEM NA NA +LABER056 ornithine NA 132.089874 RT 1.64 fragt 133, 70, 116 Inhousejuil11 NA NA +LABER056 ornithine NA 132.089874 RT 1.64 fragt 133, 70, 116 PFEM_hmdb_metabocards_blood NA blood +LABER056 ornithine NA 132.089874 RT 1.64 fragt 133, 70, 116 PFEM_hmdb_metabocards_official NA NA +MJ001337 D-threo-2,4-Diaminopentanoate C5H12N2O2 132.089877 NA MeJP NA NA +MJ001338 D-Ornithine C5H12N2O2 132.089877 NA MeJP NA NA +MJ001339 L-Ornithine C5H12N2O2 132.089877 NA MeJP NA NA +MJ001340 2,4-Diamino-3-methylbutanoic acid C5H12N2O2 132.089877 NA MeJP NA NA +MJ001341 2,4-Diaminopentanoic acid C5H12N2O2 132.089877 NA MeJP NA NA +MJ001342 2,5-Diaminopentanoic acid C5H12N2O2 132.089877 NA MeJP NA NA +MJ001343 2-Amino-3-(dimethylamino)propanoic acid C5H12N2O2 132.089877 NA MeJP NA NA +MJ001344 Antibiotic KT 151 C5H12N2O2 132.089877 NA MeJP NA NA +MetaCyc00693 N4-acetyl-N4-hydroxy-1-aminopropane [] C5H12N2O2 132.089878 NA metacyc NA NA +MetaCyc00694 2,5-diaminopentanoate [] C5H12N2O2 132.089878 NA metacyc NA NA +MetaCyc00695 2,4-diaminopentanoate [2,4-di-NH2-pentanoate;2,4-diaminopentanoate;(2R,4S)-2, 4-diaminopentanoate;] C5H12N2O2 132.089878 126253-36-9 metacyc NA NA +MetaCyc00696 D-ornithine [] C5H12N2O2 132.089878 348-66-3 metacyc NA NA +MetaCyc00697 L-ornithine [Ornithine;2, 5-diaminovaleric acid;2, 5-diaminopentanoic acid;2, 5-diaminopentanoate;α,δ-diaminovaleric acid;] C5H12N2O2 132.089878 70-26-8 metacyc NA NA +C00077 L-Ornithine C5H12N2O2 132.0899 NA KEGG NA NA +C00515 D-Ornithine C5H12N2O2 132.0899 NA KEGG NA NA +C00516 Fibronectin C5H12N2O2 132.0899 NA KEGG NA NA +C01602 Ornithine C5H12N2O2 132.0899 NA KEGG NA NA +C01603 Paramylon C5H12N2O2 132.0899 NA KEGG NA NA +C03943 (2R,4S)-2,4-Diaminopentanoate C5H12N2O2 132.0899 NA KEGG NA NA +C14114 Tetralin C10H12 132.0939 NA KEGG NA NA +C14411 Dicyclopentadiene C10H12 132.0939 NA KEGG NA NA +MJ001345 1-Methyl-4-(2-propenyl)benzene C10H12 132.0939 NA MeJP NA NA +MJ001346 p-Mentha-1,3,5,8-tetraene C10H12 132.0939 NA MeJP NA NA +CJpos0233 Norleucine [(M+H)]+ (13C) C513CH14NO2 132.097475 C18rt(min)=2.48 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0234 Leucine (and isomers) [M+H]+ (13C) C5[13]CH14O2N 132.097475 C18rt(min)=1.08 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0233 Norleucine [(M+H)]+ (13C) C513CH14NO2 132.097475 C18rt(min)=2.48 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0234 Leucine (and isomers) [M+H]+ (13C) C5[13]CH14O2N 132.097475 C18rt(min)=1.08 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ001347 (3-Aminopropoxy)guanidine C4H12N4O 132.101111 NA MeJP NA NA +MJ001348 2,2-Diethyl-1,3-propanediol C7H16O2 132.115029 NA MeJP NA NA +MetaCyc00698 CuCl2 [CuCl2;Cupric Chloride;dichlorocopper;] CL2CU1 132.867307 NA metacyc NA NA +C07280 Rhodanine C3H3NOS2 132.9656 NA KEGG NA NA +C07281 [eIF5A-precursor]-lysine C7H13N3O2R2 132.9656 NA KEGG NA NA +C07282 [eIF5A-precursor]-deoxyhypusine C11H22N4O2R2 132.9656 NA KEGG NA NA +C07283 (1->3)-beta-D-Galactopyranans C12H22O10 132.9656 NA KEGG NA NA +MJ001349 1-Isothiocyanato-2-(methylthio)ethane C4H7NS2 133.00199 NA MeJP NA NA +MJ001350 4-Thiazolidinecarboxylic acid C4H7NO2S 133.019749 NA MeJP NA NA +EUR287 Homocysteine F3 F3 133.020075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR287 Homocysteine F3 NA 133.020075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR287 Homocysteine F3 F3 133.020075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR287 Homocysteine F3 NA 133.020075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR287 Homocysteine F3 F3 133.020075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR287 Homocysteine F3 NA 133.020075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR287 Homocysteine F3 F3 133.020075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR287 Homocysteine F3 F3 133.020075 standards wishlist analysés sur QTOF HMDB NA NA +EUR287 Homocysteine F3 F3 133.020075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR287 Homocysteine F3 NA 133.020075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR287 Homocysteine F3 F3 133.020075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR287 Homocysteine F3 F3 133.020075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0235 N-Acetylaspartic acid [(M+H)-(C2H2O)]+ C4H8NO4 133.036975 C18rt(min)=1.04 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0235 N-Acetylaspartic acid [(M+H)-(C2H2O)]+ C4H8NO4 133.036975 C18rt(min)=1.04 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +LABER015 Aspartic aid NA 133.0375 RT 2.05 134, 74, 70, 88 PFEM_hmdb_metabocards_urine NA urine +LABER015 Aspartic aid NA 133.0375 RT 2.05 134, 74, 70, 88 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER015 Aspartic aid NA 133.0375 RT 2.05 134, 74, 70, 88 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER015 Aspartic aid NA 133.0375 RT 2.05 134, 74, 70, 88 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER015 Aspartic aid NA 133.0375 RT 2.05 134, 74, 70, 88 HMDB NA NA +LABER015 Aspartic aid NA 133.0375 RT 2.05 134, 74, 70, 88 Inhouse_PFEM NA NA +LABER015 Aspartic aid NA 133.0375 RT 2.05 134, 74, 70, 88 Inhousejuil11 NA NA +C00049 L-Aspartate C4H7NO4 133.0375 NA KEGG NA NA +C00050 Metal C4H7NO4 133.0375 NA KEGG NA NA +C00402 D-Aspartate C4H7NO4 133.0375 NA KEGG NA NA +C00403 Polypeptide C4H6N2O3R2 133.0375 NA KEGG NA NA +C00404 (Phosphate)n H4P2O7 133.0375 NA KEGG NA NA +C00405 D-Amino acid C2H4NO2R 133.0375 NA KEGG NA NA +C16433 Aspartate C4H7NO4 133.0375 NA KEGG NA NA +PJ000010 D C4H7NO4 133.0375 NA PeJP NA NA +LABER015 Aspartic aid NA 133.0375 RT 2.05 134, 74, 70, 88 PFEM_hmdb_metabocards_blood NA blood +LABER015 Aspartic aid NA 133.0375 RT 2.05 134, 74, 70, 88 PFEM_hmdb_metabocards_official NA NA +HMDB00191 L-Aspartic acid C4H7NO4 133.037506 NA HMDB2010 NA NA +HMDB06483 D-Aspartic acid C4H7NO4 133.037506 NA HMDB2010 NA NA +HMDB11753 Iminodiacetate C4H7NO4 133.037506 NA HMDB2010 NA NA +MJ001351 D-Aspartate C4H7NO4 133.037507 NA MeJP NA NA +MJ001352 L-Aspartate C4H7NO4 133.037507 NA MeJP NA NA +MJ001353 4-Amino-2-hydroxy-3-oxobutanoic acid C4H7NO4 133.037507 NA MeJP NA NA +MJ001354 Aspartic acid C4H7NO4 133.037507 NA MeJP NA NA +MetaCyc00699 2-hydroxysuccinamate [] C4H7N1O4 133.037508 NA metacyc NA NA +MetaCyc00700 L-aspartate [L-aspartic acid;aspartic acid;D;aspartate;asp;] C4H7N1O4 133.037508 56-84-8 metacyc NA NA +MetaCyc00701 D-aspartate [D-aspartic acid;] C4H7N1O4 133.037508 1783-96-6 metacyc NA NA +HMDB00191 L-Aspartic acid C4H7NO4 133.03751 http://www.hmdb.ca/metabolites/HMDB00191 PFEM_hmdb_metabocards_urine NA urine +HMDB00191 L-Aspartic acid C4H7NO4 133.03751 http://www.hmdb.ca/metabolites/HMDB00191 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06483 D-Aspartatic acid C4H7NO4 133.03751 http://www.hmdb.ca/metabolites/HMDB06483 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00191 L-Aspartic acid C4H7NO4 133.03751 http://www.hmdb.ca/metabolites/HMDB00191 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00191 L-Aspartic acid C4H7NO4 133.03751 http://www.hmdb.ca/metabolites/HMDB00191 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00191 L-Aspartic acid C4H7NO4 133.03751 http://www.hmdb.ca/metabolites/HMDB00191 HMDB NA NA +HMDB06483 D-Aspartatic acid C4H7NO4 133.03751 http://www.hmdb.ca/metabolites/HMDB06483 HMDB NA NA +HMDB00191 L-Aspartic acid C4H7NO4 133.03751 Tripeptides ;SYN:a-Spaglumic acid; Acetyl-a-L-aspartylglutamic acid; Isospaglumic acid; N-(N-Acetylaspartyl)glutamic acid; N-Acetyl-a-L-aspartyl-L-glutamic acid; N-Acetyl-a-aspartylglutamic acid; N-Acetyl-L-aspartyl-L-glutamic acid; NAAG; alpha-Spaglumic acid; Acetyl-alpha-L-aspartylglutamic acid; N-Acetyl-alpha-L-aspartyl-L-glutamic acid; N-Acetyl-alpha-aspartylglutamic acidH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB06483 D-Aspartic acid C4H7NO4 133.03751 NA ;SYN:(-)-Aspartic acid; (2R)-2-Aminobutanedioic acid; (R)-2-Aminobutanedioic acid; (R)-2-Aminosuccinic acid; (R)-Aspartic acid; 1-Amino-1,2-carboxyethane; aspartic acid; D-(-)-Aspartic acid; D-aspartate; D-Asparaginsaeure; D-aspartic acid; delta-asparaginsaeure; delta-aspartic acid; Lopac-alpha-9256; Tocris-0213; delta-(-)-Aspartic acid; (2R)-2-Aminobutanedioate; (R)-2-Aminobutanedioate; delta-aspartateH2Blood; Urine Inhouse_peptide NA peptide +HMDB00191 L-Aspartic acid C4H7NO4 133.03751 http://www.hmdb.ca/metabolites/HMDB00191 PFEM_hmdb_metabocards_blood NA blood +HMDB06483 D-Aspartatic acid C4H7NO4 133.03751 http://www.hmdb.ca/metabolites/HMDB06483 PFEM_hmdb_metabocards_blood NA blood +HMDB00191 L-Aspartic acid C4H7NO4 133.03751 HMDB00191 PFEM_hmdb_metabocards_official NA NA +HMDB06483 D-Aspartatic acid C4H7NO4 133.03751 HMDB06483 PFEM_hmdb_metabocards_official NA NA +CJneg0095 Aspartic acid [(M-H)]- C4H6NO4 133.038025 C18rt(min)=0.89 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0095 Aspartic acid [(M-H)]- C4H6NO4 133.038025 C18rt(min)=0.89 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C02091 Ureidoglycine C3H7N3O3 133.0487 NA KEGG NA NA +C02092 Xaa-ornithine C7H14N3O3R 133.0487 NA KEGG NA NA +C06382 N-(Carboxyaminomethyl)urea C3H7N3O3 133.0487 NA KEGG NA NA +MetaCyc00702 ureidoglycine [] C3H7N3O3 133.048741 NA metacyc NA NA +EUR321 Pyridoxine F3 F3 133.051075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR321 Pyridoxine F3 NA 133.051075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR321 Pyridoxine F3 F3 133.051075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR321 Pyridoxine F3 NA 133.051075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR321 Pyridoxine F3 F3 133.051075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR321 Pyridoxine F3 NA 133.051075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR321 Pyridoxine F3 F3 133.051075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR321 Pyridoxine F3 F3 133.051075 standards wishlist analysés sur QTOF HMDB NA NA +EUR321 Pyridoxine F3 F3 133.051075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR321 Pyridoxine F3 NA 133.051075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR321 Pyridoxine F3 F3 133.051075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR321 Pyridoxine F3 F3 133.051075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB04094 Indoxyl C8H7NO 133.05276 http://www.hmdb.ca/metabolites/HMDB04094 HMDB NA NA +HMDB04094 Indoxyl C8H7NO 133.05276 HMDB04094 PFEM_hmdb_metabocards_official NA NA +MJ001355 1H-Indol-2-ol C8H7NO 133.052763 NA MeJP NA NA +MJ001356 1H-Indol-3-ol C8H7NO 133.052763 NA MeJP NA NA +MJ001357 2-Hydroxy-2-phenylacetonitrile C8H7NO 133.052763 NA MeJP NA NA +MJ001358 4-(Tetrahydro-2-furylidene)-2-butynenitrile C8H7NO 133.052763 NA MeJP NA NA +MJ001359 4-Hydroxyphenylacetonitrile C8H7NO 133.052763 NA MeJP NA NA +MJ001360 Indoxyl C8H7NO 133.052763 NA MeJP NA NA +MetaCyc00703 mandelonitrile [] C8H7N1O1 133.052764 NA metacyc NA NA +MetaCyc00704 indoxyl [indole-3-ol;] C8H7N1O1 133.052764 NA metacyc NA NA +MetaCyc00705 indolin-2-one [indolin-2(1H)-one;] C8H7N1O1 133.052764 NA metacyc NA NA +MetaCyc00706 4-hydroxyphenylacetonitrile [4-Hydroxybenzyl cyanide;] C8H7N1O1 133.052764 14191-95-8 metacyc NA NA +HMDB04094 Indoxyl C8H7NO 133.052765 NA HMDB2010 NA NA +C00561 Mandelonitrile C8H7NO 133.0528 NA KEGG NA NA +C00562 Phosphoprotein C8H7NO 133.0528 NA KEGG NA NA +C02040 Hydroxyindole C8H7NO 133.0528 NA KEGG NA NA +C02615 (S)-Mandelonitrile C8H7NO 133.0528 NA KEGG NA NA +C02616 1,3-alpha-D-Glucan C8H7NO 133.0528 NA KEGG NA NA +C03766 4-Hydroxyphenylacetonitrile C8H7NO 133.0528 NA KEGG NA NA +C05658 Indoxyl C8H7NO 133.0528 NA KEGG NA NA +C12312 Indolin-2-one C8H7NO 133.0528 NA KEGG NA NA +C17241 4-Methylthiobutanaldoxime C5H11NOS 133.0561 NA KEGG NA NA +MetaCyc00707 4-methylthiobutanaldoxime [] C5H11N1O1S1 133.056135 NA metacyc NA NA +8185 ACE inhibitor TF 133.0575 MH2+ Inhouse_peptide NA peptide +C10901 2-Aminobenzimidazole C7H7N3 133.064 NA KEGG NA NA +MJ001361 1-Nitro-2-pentanol C5H11NO3 133.073893 NA MeJP NA NA +MJ001362 2-Amino-3-hydroxybutanoic acid, N-Me C5H11NO3 133.073893 NA MeJP NA NA +MJ001363 2-Amino-3-hydroxypentanoic acid C5H11NO3 133.073893 NA MeJP NA NA +MJ001364 2-Amino-4-hydroxy-3-methylbutanoic acid C5H11NO3 133.073893 NA MeJP NA NA +MJ001365 2-Amino-4-hydroxypentanoic acid C5H11NO3 133.073893 NA MeJP NA NA +MJ001366 2-Amino-5-hydroxypentanoic acid C5H11NO3 133.073893 NA MeJP NA NA +MJ001367 3,4-Dihydroxy-2-(hydroxymethyl)pyrrolidine C5H11NO3 133.073893 NA MeJP NA NA +MJ001368 Alanine, N-(2-Hydroxyethyl) C5H11NO3 133.073893 NA MeJP NA NA +MJ001369 Serine, N,O-Di-Me C5H11NO3 133.073893 NA MeJP NA NA +MetaCyc00708 N-hydroxyvaline [] C5H11N1O3 133.073893 NA metacyc NA NA +C07155 Tranylcypromine C9H11N 133.0891 NA KEGG NA NA +MJ001370 2,3-Dihydro-2-methylindole C9H11N 133.089149 NA MeJP NA NA +MJ001371 2-Aminoindane C9H11N 133.089149 NA MeJP NA NA +MJ001372 2-Phenylcyclopropylamine C9H11N 133.089149 NA MeJP NA NA +MJ001373 Noractinidine C9H11N 133.089149 NA MeJP NA NA +MJ001374 Zinc chloride Cl2Zn 133.866851 NA MeJP NA NA +MetaCyc00709 ZnCl2 [zinc chloride;dichlorozinc;] CL2ZN1 133.866852 NA metacyc NA NA +C12217 Fe(CN)3 C3FeN3 133.9442 NA KEGG NA NA +MJ001375 Aluminium formate hydroxide (Al(OOCH)2OH) C2H3AlO5 133.979586 NA MeJP NA NA +C00149 (S)-Malate C4H6O5 134.0215 NA KEGG NA NA +C00497 (R)-Malate C4H6O5 134.0215 NA KEGG NA NA +C00711 Malate C4H6O5 134.0215 NA KEGG NA NA +C03064 3-Dehydro-L-threonate C4H6O5 134.0215 NA KEGG NA NA +HMDB00156 L-Malic acid C4H6O5 134.02151 http://www.hmdb.ca/metabolites/HMDB00156 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00156 L-Malic acid C4H6O5 134.02151 http://www.hmdb.ca/metabolites/HMDB00156 HMDB NA NA +HMDB00744 Malic acid C4H6O5 134.02151 http://www.hmdb.ca/metabolites/HMDB00744 HMDB NA NA +HMDB00156 L-Malic acid C4H6O5 134.02151 http://www.hmdb.ca/metabolites/HMDB00156 PFEM_hmdb_metabocards_blood NA blood +HMDB00156 L-Malic acid C4H6O5 134.02151 HMDB00156 PFEM_hmdb_metabocards_official NA NA +HMDB00744 Malic acid C4H6O5 134.02151 HMDB00744 PFEM_hmdb_metabocards_official NA NA +MJ001376 (R)-Malate C4H6O5 134.021523 NA MeJP NA NA +MJ001377 (S)-Malate C4H6O5 134.021523 NA MeJP NA NA +MJ001378 3-Dehydro-L-threonate C4H6O5 134.021523 NA MeJP NA NA +MJ001379 Malic acid C4H6O5 134.021523 NA MeJP NA NA +MetaCyc00710 (R)-malate [D-malate;D-malic acid;D-(+)-malic acid;] C4H6O5 134.021523 636-61-3 metacyc NA NA +MetaCyc00711 3-dehydro-L-threonate [] C4H6O5 134.021523 NA metacyc NA NA +MetaCyc00712 3-ketothreonate [3-oxothreonate;] C4H6O5 134.021523 NA metacyc NA NA +MetaCyc00713 malate [hydroxysuccinic acid;hydroxybutanedioic acid;malic acid;L-mal;mal;L-malate;(S)-malate;DL-malic acid;] C4H6O5 134.021523 6915-15-7 metacyc NA NA +HMDB00156 L-Malic acid C4H6O5 134.02153 NA HMDB2010 NA NA +HMDB00744 Malic acid C4H6O5 134.02153 NA HMDB2010 NA NA +CJneg0096 Malic acid [M-H]- C4H5O5 134.022125 C18rt(min)=1.08 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0096 Malic acid [M-H]- C4H5O5 134.022125 C18rt(min)=1.08 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ001380 3,3-Dimethyl-1,2-dithiolane C5H10S2 134.022391 NA MeJP NA NA +MJ001381 3,4-Dimethyl-1,2-dithiolane C5H10S2 134.022391 NA MeJP NA NA +JH045 Guanine [M+H-NH3]+ NA 134.0229 1.23 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH045 Guanine [M+H-NH3]+ NA 134.0229 1.23 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH045 Guanine [M+H-NH3]+ NA 134.0229 1.23 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH045 Guanine [M+H-NH3]+ NA 134.0229 1.23 Inhousejuil11 NA NA +HMDB00575 DL-Homocystine C8H16N2O4S2 134.0275725 MH2+ Inhouse_peptide NA peptide +MJ001382 [(Methylamino)carbonyl]carbamic acid; N2-Hydroxy C3H6N2O4 134.032756 NA MeJP NA NA +MJ001383 (-)-Ureidoglycolate C3H6N2O4 134.032756 NA MeJP NA NA +MetaCyc00714 ureidoglycollate [] C3H6N2O4 134.032757 NA metacyc NA NA +MetaCyc00715 (+)-ureidoglycolate [(+) ureidoglycollate;] C3H6N2O4 134.032757 NA metacyc NA NA +MetaCyc00716 (S)-ureidoglycolate [(-)-ureidoglycolate;ureidoglycolate;] C3H6N2O4 134.032757 2017665 metacyc NA NA +MetaCyc00717 carbamoyl oxamate [] C3H6N2O4 134.032757 NA metacyc NA NA +HMDB01005 (S)-Ureidoglycolic acid C3H6N2O4 134.03276 http://www.hmdb.ca/metabolites/HMDB01005 HMDB NA NA +HMDB01005 (S)-Ureidoglycolic acid C3H6N2O4 134.03276 HMDB01005 PFEM_hmdb_metabocards_official NA NA +HMDB01005 (S)-Ureidoglycolic acid C3H6N2O4 134.032761 NA HMDB2010 NA NA +C00603 (-)-Ureidoglycolate C3H6N2O4 134.0328 NA KEGG NA NA +C02766 (+)-Ureidoglycolate C3H6N2O4 134.0328 NA KEGG NA NA +C02768 (Glycerophosphate)n C3H9O6P 134.0328 NA KEGG NA NA +EUR255 Norepinephrine F3 F3 134.034075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR255 Norepinephrine F3 NA 134.034075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR255 Norepinephrine F3 F3 134.034075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR255 Norepinephrine F3 NA 134.034075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR255 Norepinephrine F3 F3 134.034075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR255 Norepinephrine F3 NA 134.034075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR255 Norepinephrine F3 F3 134.034075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR255 Norepinephrine F3 F3 134.034075 standards wishlist analysés sur QTOF HMDB NA NA +EUR255 Norepinephrine F3 F3 134.034075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR255 Norepinephrine F3 NA 134.034075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR255 Norepinephrine F3 F3 134.034075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR255 Norepinephrine F3 F3 134.034075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +JH218 Chlorogenic acid [163-CO]+ NA 134.0362 11.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH218 Chlorogenic acid [163-CO]+ NA 134.0362 11.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH218 Chlorogenic acid [163-CO]+ NA 134.0362 11.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH218 Chlorogenic acid [163-CO]+ NA 134.0362 11.5 Inhousejuil11 NA NA +JH100 Caffeic acid [M+H-HCOOH]+ NA 134.03625 12.21 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH100 Caffeic acid [M+H-HCOOH]+ NA 134.03625 12.21 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH100 Caffeic acid [M+H-HCOOH]+ NA 134.03625 12.21 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH100 Caffeic acid [M+H-HCOOH]+ NA 134.03625 12.21 Inhousejuil11 NA NA +MJ001384 5-Benzofuranol C8H6O2 134.036779 NA MeJP NA NA +MJ001385 6-Octene-2,4-diynoic acid C8H6O2 134.036779 NA MeJP NA NA +MetaCyc00718 phenylglyoxal [benzoylcarboxaldehyde;benzoylformaldehyde;phenylethanedione;α-oxobenzeneacetaldehyde;benzeneacetaldehyde, α-oxo-, monohydrate;glyoxal, phenyl-;] C8H6O2 134.036779 NA metacyc NA NA +MJ001386 3-(Methylthio)propanoic acid; Me ester C5H10O2S 134.04015 NA MeJP NA NA +MJ001387 (2-Carboxyethyl)dimethylsulfonium(1+) C5H11O2S(+) 134.04015 NA MeJP NA NA +C04022 S,S-Dimethyl-beta-propiothetin C5H10O2S 134.0402 NA KEGG NA NA +CJneg0097 Aspartic acid [(M-H)]- (13C) C313CH6NO4 134.041425 C18rt(min)=0.89 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0097 Aspartic acid [(M-H)]- (13C) C313CH6NO4 134.041425 C18rt(min)=0.89 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MetaCyc00719 adenine-ring [] C5H4N5 134.04667 NA metacyc NA NA +CJpos0236 Nicotinuric acid isomer [(M+H)-(HCOOH)]+ C7H7N2O 134.047475 C18rt(min)=5.31 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0236 Nicotinuric acid isomer [(M+H)-(HCOOH)]+ C7H7N2O 134.047475 C18rt(min)=5.31 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +7684 ACE inhibitor from garlic SY 134.0475 MH2+ Inhouse_peptide NA peptide +MJ001388 4-Hydroxy-3-pyridinecarboxylic acid; NH-form, N-Me, nitrile C7H6N2O 134.048012 NA MeJP NA NA +MJ001389 4-Hydroxy-3-pyridinecarboxylic acid; OH-form, Me ether, nitrile C7H6N2O 134.048012 NA MeJP NA NA +MJ001390 6-Hydroxy-3-pyridinecarboxylic acid; NH-form, N-Me, nitrile C7H6N2O 134.048012 NA MeJP NA NA +MJ001391 Ricinidine C7H6N2O 134.048012 NA MeJP NA NA +CJpos0237 Deoxyribose [(M+H)]+ C5H11O4 134.057375 C18rt(min)=0.97 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0237 Deoxyribose [(M+H)]+ C5H11O4 134.057375 C18rt(min)=0.97 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C01801 Deoxyribose C5H10O4 134.0579 NA KEGG NA NA +C02783 2-Deoxy-L-arabinose C5H10O4 134.0579 NA KEGG NA NA +C04039 2,3-Dihydroxy-3-methylbutanoate C5H10O4 134.0579 NA KEGG NA NA +C04272 (R)-2,3-Dihydroxy-3-methylbutanoate C5H10O4 134.0579 NA KEGG NA NA +C06257 1-Deoxy-D-xylulose C5H10O4 134.0579 NA KEGG NA NA +C06258 Globin C5H10O4 134.0579 NA KEGG NA NA +C06259 Ferrocytochrome b C5H10O4 134.0579 NA KEGG NA NA +C06260 Ferricytochrome b C5H10O4 134.0579 NA KEGG NA NA +C06262 Phosphorus C5H10O4 134.0579 NA KEGG NA NA +C06263 Silicon C5H10O4 134.0579 NA KEGG NA NA +C06264 Aluminium C5H10O4 134.0579 NA KEGG NA NA +C06265 Carbon C5H10O4 134.0579 NA KEGG NA NA +C06266 Boron C5H10O4 134.0579 NA KEGG NA NA +C06267 Vanadium C5H10O4 134.0579 NA KEGG NA NA +C06268 Chromium C5H10O4 134.0579 NA KEGG NA NA +C06269 Arsenic C5H10O4 134.0579 NA KEGG NA NA +C06272 Gal-beta1->3GalNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer C45H79N2O23R 134.0579 NA KEGG NA NA +C06273 Gal-beta1->4GalNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer C45H79N2O23R 134.0579 NA KEGG NA NA +C06297 NeuGc-alpha2->8NeuGc2->3Gal-beta1->4Glc-beta1->1'Cer C53H90N3O31R 134.0579 NA KEGG NA NA +C06299 NeuAc-alpha2->8NeuAc-alpha2->8NeuAc2->3LacCer C64H107N4O37R 134.0579 NA KEGG NA NA +C06300 NeuGc-alpha2->8NeuGc-alpha2->8NeuGc2->3LacCer C64H107N4O40R 134.0579 NA KEGG NA NA +C06302 GalNAc-beta1->4(NeuGc-alpha2->8NeuGc2->3)LacCer C61H103N4O36R 134.0579 NA KEGG NA NA +C08347 2-Deoxy-alpha-D-ribopyranose C5H10O4 134.0579 NA KEGG NA NA +HMDB00421 2,3-Dihydroxyvaleric acid C5H10O4 134.057907 NA HMDB2010 NA NA +HMDB01292 1-Deoxy-D-xylulose C5H10O4 134.057907 NA HMDB2010 NA NA +HMDB03224 Deoxyribose C5H10O4 134.057907 NA HMDB2010 NA NA +HMDB12141 (R)-2,3-Dihydroxy-isovalerate C5H10O4 134.057907 NA HMDB2010 NA NA +MJ001392 (R)-2,3-Dihydroxy-3-methylbutanoate C5H10O4 134.057908 NA MeJP NA NA +MJ001393 2,3-Dihydroxy-3-methylbutanoate C5H10O4 134.057908 NA MeJP NA NA +MJ001394 Deoxyribose C5H10O4 134.057908 NA MeJP NA NA +MJ001395 2,3-Dihydroxy-2-methylbutanoic acid C5H10O4 134.057908 NA MeJP NA NA +MJ001396 2,3-Dihydroxy-3-methylbutanoic acid C5H10O4 134.057908 NA MeJP NA NA +MJ001397 2-Deoxy-erythro-pentose C5H10O4 134.057908 NA MeJP NA NA +MJ001398 3,4,5-Trihydroxy-2-pentanone C5H10O4 134.057908 NA MeJP NA NA +MJ001399 3-Deoxy-erythro-pentose C5H10O4 134.057908 NA MeJP NA NA +MJ001400 4-Deoxy-erythro-pentose C5H10O4 134.057908 NA MeJP NA NA +MetaCyc00720 2,3-dihydroxy-isovalerate [2,3-dihydroxy-3-methylbutanoate;(R)-2,3-dihydroxy-3-methylbutanoate;α,β-dihydroxy-isovalerate;] C5H10O4 134.057909 NA metacyc NA NA +MetaCyc00721 nt-pentose-ring [] C5H10O4 134.057909 NA metacyc NA NA +MetaCyc00722 deoxyribose [2'-deoxyribose;2-deoxyribose;2-deoxy-D-ribose;] C5H10O4 134.057909 533-67-5 metacyc NA NA +MetaCyc00723 1-deoxy-D-xylulose [1-deoxy-xylulose;] C5H10O4 134.057909 NA metacyc NA NA +HMDB00421 2,3-Dihydroxyvaleric acid C5H10O4 134.05791 http://www.hmdb.ca/metabolites/HMDB00421 HMDB NA NA +HMDB01292 1-deoxy-D-xylulose C5H10O4 134.05791 http://www.hmdb.ca/metabolites/HMDB01292 HMDB NA NA +HMDB03224 Deoxyribose C5H10O4 134.05791 http://www.hmdb.ca/metabolites/HMDB03224 HMDB NA NA +HMDB00421 2,3-Dihydroxyvaleric acid C5H10O4 134.05791 HMDB00421 PFEM_hmdb_metabocards_official NA NA +HMDB01292 1-deoxy-D-xylulose C5H10O4 134.05791 HMDB01292 PFEM_hmdb_metabocards_official NA NA +HMDB03224 Deoxyribose C5H10O4 134.05791 HMDB03224 PFEM_hmdb_metabocards_official NA NA +CJneg0098 5-Methylthioribose [(M-H)-(CH2S)]- C5H9O4S0 134.058425 C18rt(min)=1.09 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0098 5-Methylthioribose [(M-H)-(CH2S)]- C5H9O4S0 134.058425 C18rt(min)=1.09 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +C05649 Dihydropteridine C6H6N4 134.0592 NA KEGG NA NA +MetaCyc00724 6,7-dihydropteridine [dihydropteridine;] C6H6N4 134.059246 NA metacyc NA NA +MetaCyc00725 3-deazaadenine [] C6H6N4 134.059246 NA metacyc NA NA +HMDB01441 Dihydropteridine C6H6N4 134.05925 http://www.hmdb.ca/metabolites/HMDB01441 HMDB NA NA +HMDB01441 Dihydropteridine C6H6N4 134.05925 HMDB01441 PFEM_hmdb_metabocards_official NA NA +HMDB01441 Dihydropteridine C6H6N4 134.05925 NA HMDB2010 NA NA +C08270 L-Canaline C4H10N2O3 134.0691 NA KEGG NA NA +HMDB12251 L-Canaline C4H10N2O3 134.069138 NA HMDB2010 NA NA +MJ001401 2-Amino-4-(aminooxy)butanoic acid C4H10N2O3 134.069142 NA MeJP NA NA +MetaCyc00726 L-canaline [L-a-amino-g-(aminooxy)-n-butyric acid;L-2-amino-4-(aminooxy)butyric acid;L-2-amino-4-(aminooxy)butyrate;] C4H10N2O3 134.069142 496-93-5 metacyc NA NA +3305 NA LH 134.071 MH2+ Inhouse_peptide NA peptide +3317 NA HL 134.071 MH2+ Inhouse_peptide NA peptide +7602 ACE inhibitor HL 134.071 MH2+ Inhouse_peptide NA peptide +MJ001402 3-Nonene-5,7-diyn-1-ol C9H10O 134.073164 NA MeJP NA NA +MJ001403 3-Phenyl-2-propen-1-ol C9H10O 134.073164 NA MeJP NA NA +MJ001404 3-Phenylpropanal C9H10O 134.073164 NA MeJP NA NA +MJ001405 4-(2-Propenyl)phenol C9H10O 134.073164 NA MeJP NA NA +MJ001406 4-Nonene-6,8-diyn-1-ol C9H10O 134.073164 NA MeJP NA NA +MJ001407 7-Nonene-3,5-diyn-1-ol C9H10O 134.073164 NA MeJP NA NA +MetaCyc00727 chavicol [] C9H10O1 134.073165 NA metacyc NA NA +MetaCyc00728 cinnamyl alcohol [cinnamic alcohol;] C9H10O1 134.073165 NA metacyc NA NA +MetaCyc00729 1-indanol [] C9H10O1 134.073165 10/06/6351 metacyc NA NA +C01710 Indan-1-ol C9H10O 134.0732 NA KEGG NA NA +C02394 Cinnamyl alcohol C9H10O 134.0732 NA KEGG NA NA +C15512 Phenylacetone C9H10O 134.0732 NA KEGG NA NA +C16930 Chavicol C9H10O 134.0732 NA KEGG NA NA +MJ001408 2-[(3-Aminopropyl)amino]ethanethiol C5H14N2S 134.087769 NA MeJP NA NA +C07651 WR 1065 C5H14N2S 134.0878 NA KEGG NA NA +MJ001409 1,4,5-Hexanetriol C6H14O3 134.094294 NA MeJP NA NA +HMDB05805 P-cymene C10H14 134.10954 http://www.hmdb.ca/metabolites/HMDB05805 HMDB NA NA +HMDB05805 P-cymene C10H14 134.10954 HMDB05805 PFEM_hmdb_metabocards_official NA NA +HMDB05805 p-Cymene C10H14 134.109543 NA HMDB2010 NA NA +MJ001410 p-Cymene C10H14 134.10955 NA MeJP NA NA +MJ001411 1-Isopropyl-2-methylbenzene C10H14 134.10955 NA MeJP NA NA +MJ001412 1-Isopropyl-3-methylbenzene C10H14 134.10955 NA MeJP NA NA +MJ001413 1-Isopropyl-4-methylbenzene C10H14 134.10955 NA MeJP NA NA +MJ001414 1-Methyl-2-propylbenzene C10H14 134.10955 NA MeJP NA NA +MJ001415 2(10),3-Pinadiene C10H14 134.10955 NA MeJP NA NA +MJ001416 2,6-Dimethyl-1,3,5,7-octatetraene C10H14 134.10955 NA MeJP NA NA +MJ001417 6-(1-Propenyl)-1,4-cycloheptadiene C10H14 134.10955 NA MeJP NA NA +MJ001418 o-Mentha-1(7),5,8-triene C10H14 134.10955 NA MeJP NA NA +MJ001419 p-Mentha-1,3,8-triene C10H14 134.10955 NA MeJP NA NA +MetaCyc00730 p-cymene [4-isopropyltoluene;p-isopropyltoluene;p-methyl cumene;4-methyl isopropylbenzene;methyl-4-(1-methylethyl)benzene;1-methyl-4-isopropylbenzene;dolcymene;cymol;] C10H14 134.10955 99-87-6 metacyc NA NA +C06575 p-Cymene C10H14 134.1096 NA KEGG NA NA +C14142 sec-Butylbenzene C10H14 134.1096 NA KEGG NA NA +C14534 1,2,4,5-Tetramethylbenzene C10H14 134.1096 NA KEGG NA NA +C14583 1,4-Diethylbenzene C10H14 134.1096 NA KEGG NA NA +C18150 n-Butylbenzene C10H14 134.1096 NA KEGG NA NA +2756 peptide regulating the stomach mucosal membrane activity PGP 134.5625 MH2+ Inhouse_peptide NA peptide +3046 inhibitor of insulin secretion PGP 134.5625 MH2+ Inhouse_peptide NA peptide +3284 antithrombotic peptide PGP 134.5625 MH2+ Inhouse_peptide NA peptide +3459 Prolyl endopeptidase inhibitor PGP 134.5625 MH2+ Inhouse_peptide NA peptide +3464 Chemotactic peptide PGP 134.5625 MH2+ Inhouse_peptide NA peptide +7820 ACE inhibitor from wheat gliadin GPP 134.5625 MH2+ Inhouse_peptide NA peptide +MJ001420 (Glycinato-N,O)dihydroxyaluminium C2H6AlNO4 135.011221 NA MeJP NA NA +MJ001421 Benzothiazole C7H5NS 135.014269 NA MeJP NA NA +MJ001422 Phenyl isothiocyanate C7H5NS 135.014269 NA MeJP NA NA +PFEM046F1 Homocysteine F1 135.0265 NA Inhouse_original NA NA +MJ001423 2-Benzoxazolol C7H5NO2 135.032028 NA MeJP NA NA +JH031 Homocysteine [M+H]+ C4H9NO2S 135.0325 1.28 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH031 Homocysteine [M+H]+ C4H9NO2S 135.0325 1.28 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH031 Homocysteine [M+H]+ C4H9NO2S 135.0325 1.28 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH031 Homocysteine [M+H]+ C4H9NO2S 135.0325 1.28 Inhousejuil11 NA NA +EUR285 Homocysteine C4H9NO2S 135.033975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR285 Homocysteine F1 NA 135.033975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR285 Homocysteine C4H9NO2S 135.033975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR285 Homocysteine F1 NA 135.033975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR285 Homocysteine C4H9NO2S 135.033975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR285 Homocysteine F1 NA 135.033975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR285 Homocysteine C4H9NO2S 135.033975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR285 Homocysteine C4H9NO2S 135.033975 standards wishlist analysés sur QTOF HMDB NA NA +EUR285 Homocysteine C4H9NO2S 135.033975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR285 Homocysteine F1 NA 135.033975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR285 Homocysteine C4H9NO2S 135.033975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR285 Homocysteine C4H9NO2S 135.033975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ001424 Homocysteine C4H9NO2S 135.035399 NA MeJP NA NA +MJ001425 L-Homocysteine C4H9NO2S 135.035399 NA MeJP NA NA +MJ001426 2-Amino-3-mercaptobutanoic acid C4H9NO2S 135.035399 NA MeJP NA NA +MJ001427 2-Amino-4-mercaptobutanoic acid C4H9NO2S 135.035399 NA MeJP NA NA +MJ001428 Cysteine, Me ester C4H9NO2S 135.035399 NA MeJP NA NA +MJ001429 Cysteine, S-Me C4H9NO2S 135.035399 NA MeJP NA NA +MetaCyc00731 L-homocysteine [homo-cys;homocysteine;] C4H9N1O2S1 135.035399 454-28-4 metacyc NA NA +EUR026 Homocysteine C4H9NO2S 135.0354 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00742 Homocysteine C4H9NO2S 135.0354 http://www.hmdb.ca/metabolites/HMDB00742 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02108 Methylcysteine C4H9NO2S 135.0354 http://www.hmdb.ca/metabolites/HMDB02108 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR026 Homocysteine C4H9NO2S 135.0354 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR026 Homocysteine C4H9NO2S 135.0354 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00742 Homocysteine C4H9NO2S 135.0354 http://www.hmdb.ca/metabolites/HMDB00742 HMDB NA NA +HMDB02108 Methylcysteine C4H9NO2S 135.0354 http://www.hmdb.ca/metabolites/HMDB02108 HMDB NA NA +EUR026 Homocysteine C4H9NO2S 135.0354 Wishlist Inhousejuil11 NA NA +C00155 L-Homocysteine C4H9NO2S 135.0354 NA KEGG NA NA +C05330 Homocysteine C4H9NO2S 135.0354 NA KEGG NA NA +HMDB00742 Homocysteine C4H9NO2S 135.0354 http://www.hmdb.ca/metabolites/HMDB00742 PFEM_hmdb_metabocards_blood NA blood +HMDB02108 Methylcysteine C4H9NO2S 135.0354 http://www.hmdb.ca/metabolites/HMDB02108 PFEM_hmdb_metabocards_blood NA blood +HMDB00742 Homocysteine C4H9NO2S 135.0354 HMDB00742 PFEM_hmdb_metabocards_official NA NA +HMDB02108 Methylcysteine C4H9NO2S 135.0354 HMDB02108 PFEM_hmdb_metabocards_official NA NA +HMDB00742 Homocysteine C4H9NO2S 135.0354 NA ;SYN:His-R; N(Tau)-ribosylhistidineH2Blood; Urine Inhouse_peptide NA peptide +HMDB00742 Homocysteine C4H9NO2S 135.0354 NA HMDB2010 NA NA +HMDB02108 Methylcysteine C4H9NO2S 135.0354 NA HMDB2010 NA NA +CJpos0238 Creatinine (and isomer) [(M+Na)]+ C4H7N3NaO 135.040275 C18rt(min)=0.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0238 Creatinine (and isomer) [(M+Na)]+ C4H7N3NaO 135.040275 C18rt(min)=0.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +PARAC010 Homocysteine C4H9NO2S 135.0418 RT0.7 PFEM_hmdb_metabocards_urine NA urine +PARAC010 Homocysteine C4H9NO2S 135.0418 RT0.7 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC010 Homocysteine C4H9NO2S 135.0418 RT0.7 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC010 Homocysteine C4H9NO2S 135.0418 RT0.7 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC010 Homocysteine C4H9NO2S 135.0418 RT0.7 HMDB NA NA +PARAC010 Homocysteine C4H9NO2S 135.0418 RT0.7 Inhouse_PFEM NA NA +PARAC010 Homocysteine C4H9NO2S 135.0418 RT0.7 PFEM_hmdb_metabocards_blood NA blood +PARAC010 Homocysteine C4H9NO2S 135.0418 RT0.7 PFEM_hmdb_metabocards_official NA NA +MetaCyc00732 S,S-dimethyl-β-propiothetin [DMPT;DMSP;dimethylpropiothetin;S-dimethylsulfonium propionic acid;] C5H11O2S1 135.047975 7314-30-9 metacyc NA NA +MetaCyc00733 dimethylsulfoniopropionate [DMSP;dimethylpropiothetin;] C5H11O2S1 135.047975 NA metacyc NA NA +EUR276 Adenosine monophosphate F3 F3 135.049975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR276 Adenosine monophosphate F3 NA 135.049975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR276 Adenosine monophosphate F3 F3 135.049975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR276 Adenosine monophosphate F3 NA 135.049975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR276 Adenosine monophosphate F3 F3 135.049975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR276 Adenosine monophosphate F3 NA 135.049975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR276 Adenosine monophosphate F3 F3 135.049975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR276 Adénosine monophosphate F3 F3 135.049975 standards wishlist analysés sur QTOF HMDB NA NA +EUR276 Adenosine monophosphate F3 F3 135.049975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR276 Adenosine monophosphate F3 NA 135.049975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR276 Adenosine monophosphate F3 F3 135.049975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR276 Adenosine monophosphate F3 F3 135.049975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR358 Flavine adenine dinucleotide F8 F8 135.050075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR358 Flavine adenine dinucleotide F8 NA 135.050075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR358 Flavine adenine dinucleotide F8 F8 135.050075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR358 Flavine adenine dinucleotide F8 NA 135.050075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR358 Flavine adenine dinucleotide F8 F8 135.050075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR358 Flavine adenine dinucleotide F8 NA 135.050075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR358 Flavine adenine dinucleotide F8 F8 135.050075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR358 Flavine adenine dinucléotide F8 F8 135.050075 standards wishlist analysés sur QTOF HMDB NA NA +EUR358 Flavine adenine dinucleotide F8 F8 135.050075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR358 Flavine adenine dinucleotide F8 NA 135.050075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR358 Flavine adenine dinucleotide F8 F8 135.050075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR358 Flavine adenine dinucleotide F8 F8 135.050075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR266 Nicotinamide adenine di nucleotide F6 F6 135.051475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR266 Nicotinamide adenine di nucleotide F6 NA 135.051475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR266 Nicotinamide adenine di nucleotide F6 F6 135.051475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR266 Nicotinamide adenine di nucleotide F6 NA 135.051475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR266 Nicotinamide adenine di nucleotide F6 F6 135.051475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR266 Nicotinamide adenine di nucleotide F6 NA 135.051475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR266 Nicotinamide adenine di nucleotide F6 F6 135.051475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR266 Nicotinamide adénine di nucléotide F6 F6 135.051475 standards wishlist analysés sur QTOF HMDB NA NA +EUR266 Nicotinamide adenine di nucleotide F6 F6 135.051475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR266 Nicotinamide adenine di nucleotide F6 NA 135.051475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR266 Nicotinamide adenine di nucleotide F6 F6 135.051475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR266 Nicotinamide adenine di nucleotide F6 F6 135.051475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR314 Nicotinamide adenine di nucleotide phosphate F7 F7 135.051675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR314 Nicotinamide adenine di nucleotide phosphate F7 NA 135.051675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR314 Nicotinamide adenine di nucleotide phosphate F7 F7 135.051675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR314 Nicotinamide adenine di nucleotide phosphate F7 NA 135.051675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR314 Nicotinamide adenine di nucleotide phosphate F7 F7 135.051675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR314 Nicotinamide adenine di nucleotide phosphate F7 NA 135.051675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR314 Nicotinamide adenine di nucleotide phosphate F7 F7 135.051675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR314 Nicotinamide adénine di nucléotide phosphate F7 F7 135.051675 standards wishlist analysés sur QTOF HMDB NA NA +EUR314 Nicotinamide adenine di nucleotide phosphate F7 F7 135.051675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR314 Nicotinamide adenine di nucleotide phosphate F7 NA 135.051675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR314 Nicotinamide adenine di nucleotide phosphate F7 F7 135.051675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR314 Nicotinamide adenine di nucleotide phosphate F7 F7 135.051675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ001430 2-Amino-3,4-dihydroxybutanoic acid C4H9NO4 135.053157 NA MeJP NA NA +MJ001431 2-Amino-3-hydroxy-2-(hydroxymethyl)propanoic acid C4H9NO4 135.053157 NA MeJP NA NA +MJ001432 4-Hydroxy-L-threonine C4H9NO4 135.053157 NA MeJP NA NA +MetaCyc00734 hydroxymethylserine [OH-CH3-ser;OH-CH3-serine;(hydroxymethyl)serine;] C4H9N1O4 135.053158 NA metacyc NA NA +C03059 2-Hydroxymethylserine C4H9NO4 135.0532 NA KEGG NA NA +C03061 2-Methylhomogentisate C4H9NO4 135.0532 NA KEGG NA NA +C06056 4-Hydroxy-L-threonine C4H9NO4 135.0532 NA KEGG NA NA +HMDB00034 Adenine C5H5N5 135.054489 NA HMDB2010 NA NA +EUR612 Adenine NA 135.054495 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +EUR612 Adenine NA 135.054495 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR612 Adenine NA 135.054495 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR612 Adenine NA 135.054495 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR612 Adenine NA 135.054495 identifiés dans standard mixture NuGO HMDB NA NA +EUR612 Adenine NA 135.054495 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +EUR612 Adenine NA 135.054495 136.061695 Inhouse_sept12 NA NA +MJ001433 2-Aminoimidazo[4,5-d]pyridazine C5H5N5 135.054495 NA MeJP NA NA +MJ001434 Adenine C5H5N5 135.054495 NA MeJP NA NA +MetaCyc00735 adenine [2-aminopurine;] C5H5N5 135.054495 73-24-5 metacyc NA NA +EUR612 Adenine NA 135.054495 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR612 Adenine NA 135.054495 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +HMDB00034 Adenine C5H5N5 135.0545 http://www.hmdb.ca/metabolites/HMDB00034 PFEM_hmdb_metabocards_urine NA urine +EUR612 Adenine [M+H]+ 135.0545 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00034 Adenine C5H5N5 135.0545 http://www.hmdb.ca/metabolites/HMDB00034 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR612 Adenine [M+H]+ 135.0545 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00034 Adenine C5H5N5 135.0545 http://www.hmdb.ca/metabolites/HMDB00034 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR612 Adenine [M+H]+ 135.0545 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00034 Adenine C5H5N5 135.0545 http://www.hmdb.ca/metabolites/HMDB00034 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00034 Adenine C5H5N5 135.0545 http://www.hmdb.ca/metabolites/HMDB00034 HMDB NA NA +EUR612 Adenine [M+H]+ 135.0545 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00147 Adenine C5H5N5 135.0545 NA KEGG NA NA +HMDB00034 Adenine C5H5N5 135.0545 http://www.hmdb.ca/metabolites/HMDB00034 PFEM_hmdb_metabocards_blood NA blood +HMDB00034 Adenine C5H5N5 135.0545 HMDB00034 PFEM_hmdb_metabocards_official NA NA +MLBis025 Adenine HMDB00034_RT1.93_add 135.0551 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis025 Adenine HMDB00034_RT1.93_add 135.0551 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis025 Adenine HMDB00034_RT1.93_add 135.0551 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis025 Adenine HMDB00034_RT1.93_add 135.0551 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis025 Adenine HMDB00034_RT1.93_add 135.0551 Mlbis HMDB NA NA +MLBis025 Adenine HMDB00034_RT1.93_add 135.0551 Mlbis Inhouse_PFEM NA NA +MLBis025 Adenine HMDB00034_RT1.93_add 135.0551 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis025 Adenine HMDB00034_RT1.93_add 135.0551 Mlbis PFEM_hmdb_metabocards_official NA NA +JH102 Tyrosine [M+H-HCOOH]+ NA 135.0607 1.65 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH102 Tyrosine [M+H-HCOOH]+ NA 135.0607 1.65 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH102 Tyrosine [M+H-HCOOH]+ NA 135.0607 1.65 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH102 Tyrosine [M+H-HCOOH]+ NA 135.0607 1.65 Inhousejuil11 NA NA +CJneg0099 5-Methylthioribose [(M-H)-(CH2S)]- (13C) C413CH9O4S0 135.061825 C18rt(min)=1.09 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0099 5-Methylthioribose [(M-H)-(CH2S)]- (13C) C413CH9O4S0 135.061825 C18rt(min)=1.09 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +EUR421 Tyrosine F4 F4 135.063675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR421 Tyrosine F4 NA 135.063675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR421 Tyrosine F4 F4 135.063675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR421 Tyrosine F4 NA 135.063675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR421 Tyrosine F4 F4 135.063675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR421 Tyrosine F4 NA 135.063675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR421 Tyrosine F4 F4 135.063675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR421 Tyrosine F4 F4 135.063675 standards wishlist analysés sur QTOF HMDB NA NA +EUR421 Tyrosine F4 F4 135.063675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR421 Tyrosine F4 NA 135.063675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR421 Tyrosine F4 F4 135.063675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR421 Tyrosine F4 F4 135.063675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0239 Phenylacetylglutamine [(M+H)-(C5H7O3N)]+ C8H10NO 135.067875 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0239 Phenylacetylglutamine [(M+H)-(C5H7O3N)]+ C8H10NO 135.067875 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +C02505 2-Phenylacetamide C8H9NO 135.0684 NA KEGG NA NA +C02506 21-Hydroxysteroid C8H9NO 135.0684 NA KEGG NA NA +C07565 N-Phenylacetamide C8H9NO 135.0684 NA KEGG NA NA +C15561 N-Benzylformamide C8H9NO 135.0684 NA KEGG NA NA +C16075 (Z)-Phenylacetaldehyde oxime C8H9NO 135.0684 NA KEGG NA NA +C16076 Urotensin I C8H9NO 135.0684 NA KEGG NA NA +C16077 Neurophysin I C8H9NO 135.0684 NA KEGG NA NA +C16078 Neurophysin II C8H9NO 135.0684 NA KEGG NA NA +C16079 Corticotropin-releasing hormone C8H9NO 135.0684 NA KEGG NA NA +C16080 Urocortin I C8H9NO 135.0684 NA KEGG NA NA +C16081 Urocortin II C8H9NO 135.0684 NA KEGG NA NA +C16082 Urocortin III C8H9NO 135.0684 NA KEGG NA NA +C16084 Gonadotropin-releasing hormone II C8H9NO 135.0684 NA KEGG NA NA +C16085 Growth hormone-releasing hormone (1-29) C8H9NO 135.0684 NA KEGG NA NA +C16086 Prolactin-releasing peptide-31 C8H9NO 135.0684 NA KEGG NA NA +C16087 Prolactin-releasing peptide-20 C8H9NO 135.0684 NA KEGG NA NA +C16088 Pituitary adenylate cyclase-activating peptide-38 C8H9NO 135.0684 NA KEGG NA NA +C16089 Pituitary adenylate cyclase-activating peptide-27 C8H9NO 135.0684 NA KEGG NA NA +C16090 Metastin C8H9NO 135.0684 NA KEGG NA NA +C16091 Kisspeptin-14 C8H9NO 135.0684 NA KEGG NA NA +C16092 Kisspeptin-13 C8H9NO 135.0684 NA KEGG NA NA +C16093 Kisspeptin-10 C8H9NO 135.0684 NA KEGG NA NA +C16094 Substance P C8H9NO 135.0684 NA KEGG NA NA +C16095 Neuropeptide K C8H9NO 135.0684 NA KEGG NA NA +C16096 Neuropeptide gamma C8H9NO 135.0684 NA KEGG NA NA +HMDB01122 N-Methylformamide C8H9NO 135.06841 http://www.hmdb.ca/metabolites/HMDB01122 HMDB NA NA +HMDB01250 N-Acetylarylamine C8H9NO 135.06841 http://www.hmdb.ca/metabolites/HMDB01250 HMDB NA NA +HMDB01122 N-Methylformamide C8H9NO 135.06841 HMDB01122 PFEM_hmdb_metabocards_official NA NA +HMDB01250 N-Acetylarylamine C8H9NO 135.06841 HMDB01250 PFEM_hmdb_metabocards_official NA NA +MJ001435 2-Phenylacetamide C8H9NO 135.068413 NA MeJP NA NA +MJ001436 2'-Aminoacetophenone C8H9NO 135.068413 NA MeJP NA NA +MJ001437 2,3-Dihydro-1H-indol-5-ol C8H9NO 135.068413 NA MeJP NA NA +MJ001438 2-Acetyl-4-methylpyridine C8H9NO 135.068413 NA MeJP NA NA +MJ001439 2-Acetyl-6-methylpyridine C8H9NO 135.068413 NA MeJP NA NA +MJ001440 2-Aminoacetophenone C8H9NO 135.068413 NA MeJP NA NA +MJ001441 3-Acetyl-2-methylpyridine C8H9NO 135.068413 NA MeJP NA NA +MJ001442 3-Acetyl-4-methylpyridine C8H9NO 135.068413 NA MeJP NA NA +MJ001443 4-Acetyl-2-methylpyridine C8H9NO 135.068413 NA MeJP NA NA +MJ001444 4-Acetyl-3-methylpyridine C8H9NO 135.068413 NA MeJP NA NA +MJ001445 5-Acetyl-2-methylpyridine C8H9NO 135.068413 NA MeJP NA NA +MJ001446 Aniline; N-Ac C8H9NO 135.068413 NA MeJP NA NA +MJ001447 Danaidal C8H9NO 135.068413 NA MeJP NA NA +MJ001448 Danaidone C8H9NO 135.068413 NA MeJP NA NA +MJ001449 Phenylacetic acid; Amide C8H9NO 135.068413 NA MeJP NA NA +MetaCyc00736 N-acetylarylamine [] C8H9N1O1 135.068414 NA metacyc NA NA +MetaCyc00737 2-phenylacetamide [N-Phenylacetamide;2-Acetanilide;Acetanilide;] C8H9N1O1 135.068414 103-84-4 metacyc NA NA +MetaCyc00738 phenylacetaldoxime [(Z)-phenylacetaldehyde oxime;] C8H9N1O1 135.068414 NA metacyc NA NA +HMDB01250 N-Acetylarylamine C8H9NO 135.06842 NA HMDB2010 NA NA +HMDB10715 2-Phenylacetamide C8H9NO 135.06842 NA HMDB2010 NA NA +CJneg0100 Hippuric acid [(M-H)-(CO2)]- C8H8NO 135.068925 C18rt(min)=5.87 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0100 Hippuric acid [(M-H)-(CO2)]- C8H8NO 135.068925 C18rt(min)=5.87 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +HMDB12128 (R)-Amphetamine C9H13N 135.104797 NA HMDB2010 NA NA +MJ001450 1-Phenyl-2-propylamine C9H13N 135.104799 NA MeJP NA NA +MJ001451 2-Phenylethylamine; N-Me C9H13N 135.104799 NA MeJP NA NA +MJ001452 3-Butylpyridine C9H13N 135.104799 NA MeJP NA NA +MetaCyc00739 (R)-amphetamine [L-amphetamine;levamphetamine;] C9H13N1 135.104799 NA metacyc NA NA +MetaCyc00740 (S)-amphetamine [D-amphetamine;dextroamphetamine;] C9H13N1 135.104799 NA metacyc NA NA +C07514 Amphetamine C9H13N 135.1048 NA KEGG NA NA +C07884 Dextroamphetamine C9H13N 135.1048 NA KEGG NA NA +C07885 Transferred to D00737 C9H13N 135.1048 NA KEGG NA NA +7545 ACE inhibitor GPV 135.5705 MH2+ Inhouse_peptide NA peptide +43 Skin gelatin GPV 135.571 MH2+ Inhouse_peptide NA peptide +3537 ACE inhibitor PR 135.5765 MH2+ Inhouse_peptide NA peptide +7582 ACE inhibitor RP 135.5765 MH2+ Inhouse_peptide NA peptide +MJ001453 Trichlorofluoromethane CCl3F 135.904961 NA MeJP NA NA +C13194 Calcium sulfate SO4 135.9143 NA KEGG NA NA +C13195 Transferred to D01729 SO4 135.9143 NA KEGG NA NA +C13196 Transferred to D01730 SO4 135.9143 NA KEGG NA NA +MJ001454 Potassium hydrogen sulfate (KHSO4) HKO4S 135.923261 NA MeJP NA NA +MJ001455 1-Bromo-2-propanone C3H5BrO 135.952377 NA MeJP NA NA +MJ001456 Methyl 1-propenyl disulfide, 4-Oxide C4H8OS2 136.001656 NA MeJP NA NA +MJ001457 Methyl 1-propenyl disulfide, 5-Oxide C4H8OS2 136.001656 NA MeJP NA NA +MJ001458 Methyl 1-propenyl disulfide, 4-Oxide C4H8OS2 136.001656 NA MeJP NA NA +MJ001459 Methyl 1-propenyl disulfide, 5-Oxide C4H8OS2 136.001656 NA MeJP NA NA +MJ001460 Methyl 2-propenyl disulfide; 4-Oxide C4H8OS2 136.001656 NA MeJP NA NA +MJ001461 Methyl 2-propenyl disulfide; 5-Oxide C4H8OS2 136.001656 NA MeJP NA NA +C03804 S-Methyl-1-thio-D-glycerate C4H8O3S 136.0194 NA KEGG NA NA +PFEM048F1 Hypoxanthine F1 136.0251 NA Inhouse_original NA NA +MJ001462 Eniluracil C6H4N2O2 136.027277 NA MeJP NA NA +MJ001463 Tetrahydro-2H-1,2,4-thiadiazine; S,S-Dioxide C3H8N2O2S 136.030648 NA MeJP NA NA +JH034 Hypoxanthine [M+H]+ C5H4N4O 136.0309 1.64 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH034 Hypoxanthine [M+H]+ C5H4N4O 136.0309 1.64 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH034 Hypoxanthine [M+H]+ C5H4N4O 136.0309 1.64 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH034 Hypoxanthine [M+H]+ C5H4N4O 136.0309 1.64 Inhousejuil11 NA NA +EUR316 Hypoxanthine F1 NA 136.035075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR316 Hypoxanthine F1 NA 136.035075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR316 Hypoxanthine F1 NA 136.035075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR316 Hypoxanthine F1 NA 136.035075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR316 Hypoxanthine F1 NA 136.035075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR316 Hypoxanthine F1 NA 136.035075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR316 Hypoxanthine F1 NA 136.035075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR316 Hypoxanthine F1 NA 136.035075 standards wishlist analysés sur QTOF HMDB NA NA +EUR316 Hypoxanthine F1 NA 136.035075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR316 Hypoxanthine F1 NA 136.035075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR316 Hypoxanthine F1 NA 136.035075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR316 Hypoxanthine F1 NA 136.035075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB00613 Erythronic acid C4H8O5 136.03717 http://www.hmdb.ca/metabolites/HMDB00613 PFEM_hmdb_metabocards_urine NA urine +HMDB00943 Threonic acid C4H8O5 136.03717 http://www.hmdb.ca/metabolites/HMDB00943 PFEM_hmdb_metabocards_urine NA urine +HMDB00613 Erythronic acid C4H8O5 136.03717 http://www.hmdb.ca/metabolites/HMDB00613 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00613 Erythronic acid C4H8O5 136.03717 http://www.hmdb.ca/metabolites/HMDB00613 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00943 Threonic acid C4H8O5 136.03717 http://www.hmdb.ca/metabolites/HMDB00943 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00613 Erythronic acid C4H8O5 136.03717 http://www.hmdb.ca/metabolites/HMDB00613 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00943 Threonic acid C4H8O5 136.03717 http://www.hmdb.ca/metabolites/HMDB00943 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00613 Erythronic acid C4H8O5 136.03717 http://www.hmdb.ca/metabolites/HMDB00613 HMDB NA NA +HMDB00943 Threonic acid C4H8O5 136.03717 http://www.hmdb.ca/metabolites/HMDB00943 HMDB NA NA +HMDB00613 Erythronic acid C4H8O5 136.03717 http://www.hmdb.ca/metabolites/HMDB00613 PFEM_hmdb_metabocards_blood NA blood +HMDB00613 Erythronic acid C4H8O5 136.03717 HMDB00613 PFEM_hmdb_metabocards_official NA NA +HMDB00943 Threonic acid C4H8O5 136.03717 HMDB00943 PFEM_hmdb_metabocards_official NA NA +HMDB00613 Erythronic acid C4H8O5 136.03717 NA HMDB2010 NA NA +HMDB00943 Threonic acid C4H8O5 136.03717 NA HMDB2010 NA NA +MJ001464 L-Threonate C4H8O5 136.037173 NA MeJP NA NA +MetaCyc00741 L-threonate [threonate;] C4H8O5 136.037173 7306-96-9 metacyc NA NA +C01620 Threonate C4H8O5 136.0372 NA KEGG NA NA +CJneg0101 Threonic acid / Erythronic acid [(M-H)]- C4H7O5 136.037725 C18rt(min)=0.85 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0102 Gluconic acid (and isomers) [(M-H)-(C2H4O2)]- C4H7O5 136.037725 C18rt(min)=0.88 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0101 Threonic acid / Erythronic acid [(M-H)]- C4H7O5 136.037725 C18rt(min)=0.85 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0102 Gluconic acid (and isomers) [(M-H)-(C2H4O2)]- C4H7O5 136.037725 C18rt(min)=0.88 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0240 Hypoxanthine [(M+H)]+ C5H5N4O 136.037975 C18rt(min)=1.3 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0241 Hypoxanthine isomer [(M+H)]+ C5H5N4O 136.037975 C18rt(min)=4.58 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0240 Hypoxanthine [(M+H)]+ C5H5N4O 136.037975 C18rt(min)=1.3 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0241 Hypoxanthine isomer [(M+H)]+ C5H5N4O 136.037975 C18rt(min)=4.58 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ001465 Ethyl isopropyl disulfide C5H12S2 136.038041 NA MeJP NA NA +MJ001466 Ethyl propyl disulfide C5H12S2 136.038041 NA MeJP NA NA +EUR066 Hypoxanthine C5H4N4O 136.0385 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR066 Hypoxanthine C5H4N4O 136.0385 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR066 Hypoxanthine C5H4N4O 136.0385 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR066 Hypoxanthine C5H4N4O 136.0385 Wishlist Inhousejuil11 NA NA +C00262 Hypoxanthine C5H4N4O 136.0385 NA KEGG NA NA +HMDB00157 Hypoxanthine C5H4N4O 136.03851 http://www.hmdb.ca/metabolites/HMDB00157 PFEM_hmdb_metabocards_urine NA urine +HMDB00157 Hypoxanthine C5H4N4O 136.03851 http://www.hmdb.ca/metabolites/HMDB00157 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00157 Hypoxanthine C5H4N4O 136.03851 http://www.hmdb.ca/metabolites/HMDB00157 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00157 Hypoxanthine C5H4N4O 136.03851 http://www.hmdb.ca/metabolites/HMDB00157 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00157 Hypoxanthine C5H4N4O 136.03851 http://www.hmdb.ca/metabolites/HMDB00157 HMDB NA NA +MJ001467 1H-Pyrazolo[3,4-d]pyrimidin-4-ol C5H4N4O 136.03851 NA MeJP NA NA +MJ001468 6-Purinol C5H4N4O 136.03851 NA MeJP NA NA +MJ001469 Hypoxanthine C5H4N4O 136.03851 NA MeJP NA NA +HMDB00157 Hypoxanthine C5H4N4O 136.03851 http://www.hmdb.ca/metabolites/HMDB00157 PFEM_hmdb_metabocards_blood NA blood +HMDB00157 Hypoxanthine C5H4N4O 136.03851 HMDB00157 PFEM_hmdb_metabocards_official NA NA +MetaCyc00742 hypoxanthine [] C5H4N4O1 136.038511 68-94-0 metacyc NA NA +HMDB00157 Hypoxanthine C5H4N4O 136.038513 NA HMDB2010 NA NA +CJpos0242 Creatinine (and isomer) [(M+Na)]+ (13C) C313CH7N3NaO 136.043675 C18rt(min)=0.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0242 Creatinine (and isomer) [(M+Na)]+ (13C) C313CH7N3NaO 136.043675 C18rt(min)=0.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ001470 7-Amino-1H-1,2,3-triazolo[4,5-d]pyrimidine C4H4N6 136.049744 NA MeJP NA NA +JH129 Hydroferulic acid [M+H-HCOOH-CH2]+ NA 136.0506 12.75 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH129 Hydroferulic acid [M+H-HCOOH-CH2]+ NA 136.0506 12.75 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH129 Hydroferulic acid [M+H-HCOOH-CH2]+ NA 136.0506 12.75 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH129 Hydroferulic acid [M+H-HCOOH-CH2]+ NA 136.0506 12.75 Inhousejuil11 NA NA +JH106 Homovanillic acid [M+H-HCOOH]+ NA 136.0519 11.27 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH106 Homovanillic acid [M+H-HCOOH]+ NA 136.0519 11.27 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH106 Homovanillic acid [M+H-HCOOH]+ NA 136.0519 11.27 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH106 Homovanillic acid [M+H-HCOOH]+ NA 136.0519 11.27 Inhousejuil11 NA NA +EUR613 Phenylacetic acid [M-H]- 136.0524 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR613 Phenylacetic acid [M-H]- 136.0524 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR613 Phenylacetic acid [M-H]- 136.0524 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR613 Phenylacetic acid [M-H]- 136.0524 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00548 Phenyl acetate C8H8O2 136.0524 NA KEGG NA NA +C00549 RNA (poly(U)) C18H23N4O14P 136.0524 NA KEGG NA NA +C00550 Sphingomyelin C24H49N2O6PR 136.0524 NA KEGG NA NA +C00551 beta-D-Glucan C12H22O11 136.0524 NA KEGG NA NA +C01454 Toluate C8H8O2 136.0524 NA KEGG NA NA +C03765 4-Hydroxyphenylacetaldehyde C8H8O2 136.0524 NA KEGG NA NA +C05613 Benzylformate C8H8O2 136.0524 NA KEGG NA NA +C05615 Lignin C8H8O2 136.0524 NA KEGG NA NA +C06224 3,4-Dihydroxystyrene C8H8O2 136.0524 NA KEGG NA NA +C06227 Fe(III)hydroxamate C3H6FeN3O6R3 136.0524 NA KEGG NA NA +C07085 3-Vinylcatechol C8H8O2 136.0524 NA KEGG NA NA +C07086 Phenylacetic acid C8H8O2 136.0524 NA KEGG NA NA +C07189 2-Hydroxyacetophenone C8H8O2 136.0524 NA KEGG NA NA +C07190 Transferred to D00401 C8H8O2 136.0524 NA KEGG NA NA +C07191 Transferred to D00402 C8H8O2 136.0524 NA KEGG NA NA +C07211 m-Methylbenzoate C8H8O2 136.0524 NA KEGG NA NA +C07215 o-Toluate C8H8O2 136.0524 NA KEGG NA NA +C10700 4'-Hydroxyacetophenone C8H8O2 136.0524 NA KEGG NA NA +C10761 p-Anisaldehyde C8H8O2 136.0524 NA KEGG NA NA +C14087 3-Methylsalicylaldehyde C8H8O2 136.0524 NA KEGG NA NA +C15583 Phenyl acetate C8H8O2 136.0524 NA KEGG NA NA +HMDB00209 Phenylacetic acid C8H8O2 136.052429 NA HMDB2010 NA NA +MJ001471 3,4-Dihydroxystyrene C8H8O2 136.052429 NA MeJP NA NA +MJ001472 2'-Hydroxyacetophenone C8H8O2 136.052429 NA MeJP NA NA +MJ001473 2,3-Dimethyl-1,4-benzoquinone C8H8O2 136.052429 NA MeJP NA NA +MJ001474 2,5-Dimethyl-1,4-benzoquinone C8H8O2 136.052429 NA MeJP NA NA +MJ001475 2-Ethyl-1,4-benzoquinone C8H8O2 136.052429 NA MeJP NA NA +MJ001476 2-Hydroxy-6-methylbenzaldehyde C8H8O2 136.052429 NA MeJP NA NA +MJ001477 2-Hydroxyacetophenone C8H8O2 136.052429 NA MeJP NA NA +MJ001478 3'-Hydroxyacetophenone C8H8O2 136.052429 NA MeJP NA NA +MJ001479 3-(3-Furanyl)-2-methyl-2-propenal C8H8O2 136.052429 NA MeJP NA NA +MJ001480 3-Vinylcatechol C8H8O2 136.052429 NA MeJP NA NA +MJ001481 4'-Hydroxyacetophenone C8H8O2 136.052429 NA MeJP NA NA +MJ001482 4-Hydroxyphenylacetaldehyde C8H8O2 136.052429 NA MeJP NA NA +MJ001483 4-Methoxybenzaldehyde C8H8O2 136.052429 NA MeJP NA NA +MJ001484 4-Methylbenzoic acid C8H8O2 136.052429 NA MeJP NA NA +MJ001485 4-Vinyl-1,2-benzenediol C8H8O2 136.052429 NA MeJP NA NA +MJ001486 4-Vinyl-1,3-benzenediol C8H8O2 136.052429 NA MeJP NA NA +MJ001487 6-(1-Propenyl)-2H-pyran-2-one C8H8O2 136.052429 NA MeJP NA NA +MJ001488 Benzoic acid; Me ester C8H8O2 136.052429 NA MeJP NA NA +MJ001489 Benzylformate C8H8O2 136.052429 NA MeJP NA NA +MJ001490 Phenylacetic acid C8H8O2 136.052429 NA MeJP NA NA +MJ001491 Toluate C8H8O2 136.052429 NA MeJP NA NA +MJ001492 m-Methylbenzoate C8H8O2 136.052429 NA MeJP NA NA +MJ001493 o-Toluate C8H8O2 136.052429 NA MeJP NA NA +HMDB00209 Benzeneacetic acid C8H8O2 136.05243 http://www.hmdb.ca/metabolites/HMDB00209 PFEM_hmdb_metabocards_urine NA urine +EUR613 Phenylacetic acid NA 136.05243 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +HMDB01326 Phenyl acetate C8H8O2 136.05243 http://www.hmdb.ca/metabolites/HMDB01326 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR613 Phenylacetic acid NA 136.05243 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00209 Benzeneacetic acid C8H8O2 136.05243 http://www.hmdb.ca/metabolites/HMDB00209 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR613 Phenylacetic acid NA 136.05243 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00209 Benzeneacetic acid C8H8O2 136.05243 http://www.hmdb.ca/metabolites/HMDB00209 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR613 Phenylacetic acid NA 136.05243 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00209 Benzeneacetic acid C8H8O2 136.05243 http://www.hmdb.ca/metabolites/HMDB00209 HMDB NA NA +HMDB01326 Phenyl acetate C8H8O2 136.05243 http://www.hmdb.ca/metabolites/HMDB01326 HMDB NA NA +HMDB02340 2-Methylbenzoic acid C8H8O2 136.05243 http://www.hmdb.ca/metabolites/HMDB02340 HMDB NA NA +EUR613 Phenylacetic acid NA 136.05243 identifiés dans standard mixture NuGO HMDB NA NA +EUR613 Phenylacetic acid NA 136.05243 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +MetaCyc00743 phenylacetate [Phenylacetic acid;] C8H8O2 136.05243 CAS: 103-82-2 metacyc NA NA +MetaCyc00744 (4-hydroxyphenyl)acetaldehyde [] C8H8O2 136.05243 60-11-7 metacyc NA NA +MetaCyc00745 methylbenzoate [] C8H8O2 136.05243 NA metacyc NA NA +MetaCyc00746 benzylformate [] C8H8O2 136.05243 104-57-4 metacyc NA NA +MetaCyc00747 4-toluenecarboxylate [p-toluate;] C8H8O2 136.05243 NA metacyc NA NA +HMDB01326 Phenyl acetate C8H8O2 136.05243 http://www.hmdb.ca/metabolites/HMDB01326 PFEM_hmdb_metabocards_blood NA blood +EUR613 Phenylacetic acid NA 136.05243 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR613 Phenylacetic acid NA 136.05243 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +HMDB00209 Benzeneacetic acid C8H8O2 136.05243 HMDB00209 PFEM_hmdb_metabocards_official NA NA +HMDB01326 Phenyl acetate C8H8O2 136.05243 HMDB01326 PFEM_hmdb_metabocards_official NA NA +HMDB02340 2-Methylbenzoic acid C8H8O2 136.05243 HMDB02340 PFEM_hmdb_metabocards_official NA NA +CJpos0243 1-methylnicotinamide 2-Methylnicotinamide [(M)]+ C7H9N2O 136.063075 C18rt(min)=0.85 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0243 1-methylnicotinamide § 2-Methylnicotinamide [(M)]+ C7H9N2O 136.063075 C18rt(min)=0.85 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB03152 N-Methylnicotinamide C7H8N2O 136.06366 http://www.hmdb.ca/metabolites/HMDB03152 HMDB NA NA +HMDB03152 N-Methylnicotinamide C7H8N2O 136.06366 HMDB03152 PFEM_hmdb_metabocards_official NA NA +HMDB03152 N-Methylnicotinamide C7H8N2O 136.06366 NA HMDB2010 NA NA +MJ001494 3-(1H-Pyrrol-3-yl)-2-propenoic acid, Amide C7H8N2O 136.063662 NA MeJP NA NA +EUR049 N'-methylnicotinamide C7H8N2O 136.063663 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR049 N'-methylnicotinamide C7H8N2O 136.063663 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR049 N'-methylnicotinamide C7H8N2O 136.063663 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR049 N'-methylnicotinamide C7H8N2O 136.063663 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR049 N'-methylnicotinamide C7H8N2O 136.063663 Wishlist HMDB NA NA +EUR049 N'-methylnicotinamide C7H8N2O 136.063663 Wishlist Inhouse_PFEM NA NA +EUR049 N'-methylnicotinamide C7H8N2O 136.063663 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR049 N'-methylnicotinamide C7H8N2O 136.063663 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR049 N'-methylnicotinamide C7H8N2O 136.0637 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR049 N'-methylnicotinamide C7H8N2O 136.0637 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR049 N'-methylnicotinamide C7H8N2O 136.0637 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR049 N'-methylnicotinamide C7H8N2O 136.0637 Wishlist Inhousejuil11 NA NA +CJneg0103 Hippuric acid [(M-H)-(CO2)]- (13C) C713CH8NO 136.072325 C18rt(min)=5.87 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0103 Hippuric acid [(M-H)-(CO2)]- (13C) C713CH8NO 136.072325 C18rt(min)=5.87 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ001495 1,2,3,5-Pentanetetrol C5H12O4 136.073558 NA MeJP NA NA +MJ001496 1,2,4,5-Pentanetetrol C5H12O4 136.073558 NA MeJP NA NA +MJ001497 1-Deoxyribitol C5H12O4 136.073558 NA MeJP NA NA +MJ001498 1-Deoxyxylitol C5H12O4 136.073558 NA MeJP NA NA +MJ001499 2-Methyl-1,2,3,4-butanetetrol C5H12O4 136.073558 NA MeJP NA NA +MJ001500 5-Deoxyarabinitol C5H12O4 136.073558 NA MeJP NA NA +MetaCyc00748 D-Apiitol [] C5H12O4 136.073559 NA metacyc NA NA +HMDB11659 2-Methylerythritol C5H12O4 136.073563 NA HMDB2010 NA NA +HMDB01216 Tetrahydropteridine C6H8N4 136.07489 NA HMDB2010 NA NA +MetaCyc00749 5,6,7,8-tetrahydropteridine [tetrahydropteridine;] C6H8N4 136.074896 NA metacyc NA NA +C05650 Tetrahydropteridine C6H8N4 136.0749 NA KEGG NA NA +HMDB01216 Tetrahydropteridine C6H8N4 136.07491 http://www.hmdb.ca/metabolites/HMDB01216 HMDB NA NA +HMDB01216 Tetrahydropteridine C6H8N4 136.07491 HMDB01216 PFEM_hmdb_metabocards_official NA NA +JH245 Oleuropein N/A NA 136.0796 14.15 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH245 Oleuropein N/A NA 136.0796 14.15 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH245 Oleuropein N/A NA 136.0796 14.15 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH245 Oleuropein N/A NA 136.0796 14.15 Inhousejuil11 NA NA +C14311 4-Propylphenol C9H12O 136.0888 NA KEGG NA NA +MJ001501 1-(4-Methylphenyl)ethanol C9H12O 136.088815 NA MeJP NA NA +MJ001502 10-Nor-2-thujen-4-one C9H12O 136.088815 NA MeJP NA NA +MJ001503 2-Ethyl-4-methylphenol C9H12O 136.088815 NA MeJP NA NA +MJ001504 2-Ethyl-5-methylphenol C9H12O 136.088815 NA MeJP NA NA +MJ001505 2-Phenylethanol; Me ether C9H12O 136.088815 NA MeJP NA NA +MJ001506 3-Ethyl-4-methylphenol C9H12O 136.088815 NA MeJP NA NA +MJ001507 3-Ethyl-5-methylphenol C9H12O 136.088815 NA MeJP NA NA +MJ001508 3-Isopropylphenol C9H12O 136.088815 NA MeJP NA NA +MJ001509 3-Phenyl-1-propanol C9H12O 136.088815 NA MeJP NA NA +MJ001510 4-Ethyl-2-methylphenol C9H12O 136.088815 NA MeJP NA NA +MJ001511 4-Isopropylphenol C9H12O 136.088815 NA MeJP NA NA +MJ001512 5-Ethyl-2-methylphenol C9H12O 136.088815 NA MeJP NA NA +C04203 N,N-Dimethyl-1,4-phenylenediamine C8H12N2 136.1 NA KEGG NA NA +C07430 Phenelzine C8H12N2 136.1 NA KEGG NA NA +C07431 Transferred to D00505 C8H12N2 136.1 NA KEGG NA NA +MJ001513 (1-Phenylethyl)hydrazine C8H12N2 136.100048 NA MeJP NA NA +MJ001514 (2-Phenylethyl)hydrazine C8H12N2 136.100048 NA MeJP NA NA +MJ001515 1,2-Diamino-4,5-dimethylbenzene C8H12N2 136.100048 NA MeJP NA NA +MJ001516 2-(2-Methylaminoethyl)pyridine C8H12N2 136.100048 NA MeJP NA NA +MJ001517 3-Ethyl-2,5-dimethylpyrazine C8H12N2 136.100048 NA MeJP NA NA +MJ001518 5-Ethyl-2,3-dimethylpyrazine C8H12N2 136.100048 NA MeJP NA NA +MJ001519 Bongardine C8H12N2 136.100048 NA MeJP NA NA +MJ001520 Tetramethylpyrazine C8H12N2 136.100048 NA MeJP NA NA +MetaCyc00750 N,N-dimethyl-1,4-phenylenediamine [] C8H12N2 136.100048 NA metacyc NA NA +HMDB03375 D-Limonene C10H16 136.125198 NA HMDB2010 NA NA +HMDB04321 (+)-Limonene C10H16 136.125198 NA HMDB2010 NA NA +HMDB05806 Gamma-terpinene C10H16 136.125198 NA HMDB2010 NA NA +HMDB06525 (+)-a-Pinene C10H16 136.125198 NA HMDB2010 NA NA +HMDB03375 (-)-Limonene C10H16 136.1252 http://www.hmdb.ca/metabolites/HMDB03375 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03375 (-)-Limonene C10H16 136.1252 http://www.hmdb.ca/metabolites/HMDB03375 HMDB NA NA +HMDB04321 (+)-Limonene C10H16 136.1252 http://www.hmdb.ca/metabolites/HMDB04321 HMDB NA NA +HMDB05806 gamma-terpinene C10H16 136.1252 http://www.hmdb.ca/metabolites/HMDB05806 HMDB NA NA +HMDB06525 (+)-alpha-Pinene C10H16 136.1252 http://www.hmdb.ca/metabolites/HMDB06525 HMDB NA NA +C00521 (-)-Limonene C10H16 136.1252 NA KEGG NA NA +C06074 Myrcene C10H16 136.1252 NA KEGG NA NA +C06075 Terpinolene C10H16 136.1252 NA KEGG NA NA +C06076 Comphene C10H16 136.1252 NA KEGG NA NA +C06077 Pinene C10H16 136.1252 NA KEGG NA NA +C06078 Limonene C10H16 136.1252 NA KEGG NA NA +C06099 (+)-Limonene C10H16 136.1252 NA KEGG NA NA +C06304 (+)-Comphene C10H16 136.1252 NA KEGG NA NA +C06305 (-)-Comphene C10H16 136.1252 NA KEGG NA NA +C06306 (+)-alpha-Pinene C10H16 136.1252 NA KEGG NA NA +C06307 (-)-beta-Pinene C10H16 136.1252 NA KEGG NA NA +C06308 (-)-alpha-Pinene C10H16 136.1252 NA KEGG NA NA +C09839 Car-3-ene C10H16 136.1252 NA KEGG NA NA +C09873 beta-Ocimene C10H16 136.1252 NA KEGG NA NA +C09875 (R)-(-)-alpha-Phellandrene C10H16 136.1252 NA KEGG NA NA +C09877 (+)-beta-Phellandrene C10H16 136.1252 NA KEGG NA NA +C09880 alpha-Pinene C10H16 136.1252 NA KEGG NA NA +C09882 beta-Pinene C10H16 136.1252 NA KEGG NA NA +C09898 alpha-Terpinene C10H16 136.1252 NA KEGG NA NA +C09900 gamma-Terpinene C10H16 136.1252 NA KEGG NA NA +C11382 (+)-3-Carene C10H16 136.1252 NA KEGG NA NA +C11391 (S)-(+)-alpha-Phellandrene C10H16 136.1252 NA KEGG NA NA +C11392 (-)-beta-Phellandrene C10H16 136.1252 NA KEGG NA NA +C16777 Sabinene C10H16 136.1252 NA KEGG NA NA +MJ001521 Myrcene C10H16 136.1252 NA MeJP NA NA +MJ001522 Terpinolene C10H16 136.1252 NA MeJP NA NA +MJ001523 1,1-Dimethyl-2-(3-methyl-1,3-butadienyl)cyclopropane C10H16 136.1252 NA MeJP NA NA +MJ001524 1,7,7-Trimethyltricyclo[2.2.1.02,6]heptane C10H16 136.1252 NA MeJP NA NA +MJ001525 2,2-Dimethyl-5-methylenebicyclo[2.2.1]heptane C10H16 136.1252 NA MeJP NA NA +MJ001526 2,5,5-Trimethylbicyclo[2.2.1]hept-2-ene C10H16 136.1252 NA MeJP NA NA +MJ001527 2,5-Dimethyl-3-vinyl-1,4-hexadiene C10H16 136.1252 NA MeJP NA NA +MJ001528 2,6-Dimethyl-1,4,7-octatriene C10H16 136.1252 NA MeJP NA NA +MJ001529 2,6-Dimethyl-2,4,7-octatriene C10H16 136.1252 NA MeJP NA NA +MJ001530 2-Carene C10H16 136.1252 NA MeJP NA NA +MJ001531 2-Methyl-6-methylene-1,7-octadiene C10H16 136.1252 NA MeJP NA NA +MJ001532 3,7-Dimethyl-1,3,6-octatriene C10H16 136.1252 NA MeJP NA NA +MJ001533 3,7-Dimethyl-1,3,7-octatriene C10H16 136.1252 NA MeJP NA NA +MJ001534 3-Carene C10H16 136.1252 NA MeJP NA NA +MJ001535 3-Thujene C10H16 136.1252 NA MeJP NA NA +MJ001536 4(10)-Thujene C10H16 136.1252 NA MeJP NA NA +MJ001537 7,7-Dimethyl-2-methylenebicyclo[2.2.1]heptane C10H16 136.1252 NA MeJP NA NA +MJ001538 7-Methyl-3-methylene-1,6-octadiene C10H16 136.1252 NA MeJP NA NA +MJ001539 ?-Pinene C10H16 136.1252 NA MeJP NA NA +MJ001540 Camphene C10H16 136.1252 NA MeJP NA NA +MJ001541 Car-3(10)-ene C10H16 136.1252 NA MeJP NA NA +MJ001542 Chamene C10H16 136.1252 NA MeJP NA NA +MJ001543 Limonene C10H16 136.1252 NA MeJP NA NA +MJ001544 Rothrockene C10H16 136.1252 NA MeJP NA NA +MJ001545 m-Mentha-1(6),3(8)-diene C10H16 136.1252 NA MeJP NA NA +MJ001546 m-Mentha-1,3(8)-diene C10H16 136.1252 NA MeJP NA NA +MJ001547 m-Mentha-1,8-diene C10H16 136.1252 NA MeJP NA NA +MJ001548 p-Mentha-1(7),2-diene C10H16 136.1252 NA MeJP NA NA +MJ001549 p-Mentha-1(7),3-diene C10H16 136.1252 NA MeJP NA NA +MJ001550 p-Mentha-1,3-diene C10H16 136.1252 NA MeJP NA NA +MJ001551 p-Mentha-1,4(8)-diene C10H16 136.1252 NA MeJP NA NA +MJ001552 p-Mentha-1,4-diene C10H16 136.1252 NA MeJP NA NA +MJ001553 p-Mentha-1,5-diene C10H16 136.1252 NA MeJP NA NA +MJ001554 p-Mentha-2,4(8)-diene C10H16 136.1252 NA MeJP NA NA +MJ001555 p-Mentha-2,4-diene C10H16 136.1252 NA MeJP NA NA +MJ001556 p-Mentha-3,8-diene C10H16 136.1252 NA MeJP NA NA +MJ001557 ?-Pinene C10H16 136.1252 NA MeJP NA NA +HMDB03375 (-)-Limonene C10H16 136.1252 http://www.hmdb.ca/metabolites/HMDB03375 PFEM_hmdb_metabocards_blood NA blood +HMDB03375 (-)-Limonene C10H16 136.1252 HMDB03375 PFEM_hmdb_metabocards_official NA NA +HMDB04321 (+)-Limonene C10H16 136.1252 HMDB04321 PFEM_hmdb_metabocards_official NA NA +HMDB05806 gamma-terpinene C10H16 136.1252 HMDB05806 PFEM_hmdb_metabocards_official NA NA +HMDB06525 (+)-alpha-Pinene C10H16 136.1252 HMDB06525 PFEM_hmdb_metabocards_official NA NA +MetaCyc00751 pinene [α-pinene;] C10H16 136.125201 NA metacyc NA NA +MetaCyc00752 β-pinene [] C10H16 136.125201 NA metacyc NA NA +MetaCyc00753 (+)-(4R)-limonene [] C10H16 136.125201 NA metacyc NA NA +MetaCyc00754 β-phellandrene [] C10H16 136.125201 NA metacyc NA NA +MetaCyc00755 (-)-camphene [] C10H16 136.125201 NA metacyc NA NA +MetaCyc00756 (Z)-β-ocimene [] C10H16 136.125201 NA metacyc NA NA +MetaCyc00757 tricyclene [] C10H16 136.125201 NA metacyc NA NA +MetaCyc00758 2-carene [] C10H16 136.125201 NA metacyc NA NA +MetaCyc00759 (+)-(1S)-α-thujene [] C10H16 136.125201 NA metacyc NA NA +MetaCyc00760 (-)-(1S)-sabinene [] C10H16 136.125201 NA metacyc NA NA +MetaCyc00761 (-)-(1S,5S)-α-pinene [] C10H16 136.125201 NA metacyc NA NA +MetaCyc00762 (-)-(1S,5S)-β-pinene [] C10H16 136.125201 NA metacyc NA NA +MetaCyc00763 terpinolene [] C10H16 136.125201 NA metacyc NA NA +MetaCyc00764 (E)-β-ocimene [] C10H16 136.125201 NA metacyc NA NA +MetaCyc00765 myrcene [] C10H16 136.125201 NA metacyc NA NA +MetaCyc00766 limonene [(-)-(4S)-limonene;(-)-(S)-limonene;] C10H16 136.125201 NA metacyc NA NA +HMDB00667 L-Thyronine C15H15NO4 136.550049 MH2+ Inhouse_peptide NA peptide +3539 ACE inhibitor from alpha-zein LAA 136.579 MH2+ Inhouse_peptide NA peptide +7628 ACE inhibitor from k-CN (fr, 67-68) VR 136.5845 MH2+ Inhouse_peptide NA peptide +HMDB11625 Dimethylarsinate C2H6AsO2 136.958374 NA HMDB2010 NA NA +MetaCyc00767 dimethylarsinate [cacodylate;DMAV;] C2H6O2AS1 136.958376 NA metacyc NA NA +C16281 Thiobenzamide C7H7NS 137.0299 NA KEGG NA NA +MetaCyc00768 1-mononitroglycerol [1-nitrate-1,2,3-propanetriol;glycerol 1-mononitrate;glyceryl 1-mononitrate;glycerol-1-nitrate;1-mononitroglycerin;] C3H7N1O5 137.032422 624-43-1 metacyc NA NA +MetaCyc00769 2-mononitroglycerol [2-nitrooxy-propane-1,3-diol;] C3H7N1O5 137.032422 620-12-2 metacyc NA NA +MJ001558 1,4-Dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one C4H3N5O 137.033759 NA MeJP NA NA +CJneg0104 Threonic acid / Erythronic acid [(M-H)]- (13C) C313CH7O5 137.041125 C18rt(min)=0.85 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0104 Threonic acid / Erythronic acid [(M-H)]- (13C) C313CH7O5 137.041125 C18rt(min)=0.85 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +JH003 Proline [M+Na]+ C5H9NO2 137.0439 1.28 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH003 Proline [M+Na]+ C5H9NO2 137.0439 1.28 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH003 Proline [M+Na]+ C5H9NO2 137.0439 1.28 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH003 Proline [M+Na]+ C5H9NO2 137.0439 1.28 Inhousejuil11 NA NA +CJpos0244 Trigonelline (and isomer) [(M+H)]+ C7H8NO2 137.047175 C18rt(min)=0.93 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0244 Trigonelline (and isomer) [(M+H)]+ C7H8NO2 137.047175 C18rt(min)=0.93 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +LABER023 Trigonelline NA 137.047678 RT 2.4 fragt PFEM_hmdb_metabocards_urine NA urine +LABER023 Trigonelline NA 137.047678 RT 2.4 fragt BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER023 Trigonelline NA 137.047678 RT 2.4 fragt Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER023 Trigonelline NA 137.047678 RT 2.4 fragt banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER023 Trigonelline NA 137.047678 RT 2.4 fragt HMDB NA NA +LABER023 Trigonelline NA 137.047678 RT 2.4 fragt Inhouse_PFEM NA NA +LABER023 Trigonelline NA 137.047678 RT 2.4 fragt Inhousejuil11 NA NA +MJ001559 2-Aminobenzoic acid C7H7NO2 137.047678 NA MeJP NA NA +MJ001560 2-Aminophenolyl C7H7NO2 137.047678 NA MeJP NA NA +MJ001561 2-Carboxy1-methylpyridinium betaine C7H7NO2 137.047678 NA MeJP NA NA +MJ001562 2-Hydroxybenzamide C7H7NO2 137.047678 NA MeJP NA NA +MJ001563 2-Methyl-4-pyridinecarboxylic acid C7H7NO2 137.047678 NA MeJP NA NA +MJ001564 3-(1H-Pyrrol-3-yl)-2-propenoic acid C7H7NO2 137.047678 NA MeJP NA NA +MJ001565 3-Carboxy-1-methylpyridinium betaine C7H7NO2 137.047678 NA MeJP NA NA +MJ001566 3-Pyridinecarboxylic acid; Me ester C7H7NO2 137.047678 NA MeJP NA NA +MJ001567 4-Aminobenzoic acid C7H7NO2 137.047678 NA MeJP NA NA +MJ001568 4-Aminobenzoate C7H7NO2 137.047678 NA MeJP NA NA +MJ001569 Anthranilate C7H7NO2 137.047678 NA MeJP NA NA +MetaCyc00770 salicylamide [2-hydroxybenzamide;] C7H7N1O2 137.047678 65-45-2 metacyc NA NA +MetaCyc00771 p-aminobenzoate [para-aminobenzoic acid;p-aminobenzoic acid;para-aminobenzoate;4-aminobenzoate;4-aminobenzoic acid;] C7H7N1O2 137.047678 150-13-0 metacyc NA NA +MetaCyc00772 methylnicotinate [1-methylnicotinate;N-methyl-nicotinate;trigonelline;] C7H7N1O2 137.047678 NA metacyc NA NA +MetaCyc00773 4-nitrotoluene [4NT;] C7H7N1O2 137.047678 NA metacyc NA NA +MetaCyc00774 anthranilate [anthranilic acid;2-aminobenzoic acid;vitamin L1;o-aminobenzoic acid;2-aminobenzoate;] C7H7N1O2 137.047678 118-92-3 metacyc NA NA +MetaCyc00775 3-pyridylacetate [3-pyridylacetic acid;3-pyridineacetic acid;2-(3-pyridyl)acetic acid;coletin;lessterol;lioxone;minedil;piridil;pyridine-3-acetic acid;toneon;] C7H7N1O2 137.047678 NA metacyc NA NA +LABER023 Trigonelline NA 137.047678 RT 2.4 fragt PFEM_hmdb_metabocards_blood NA blood +LABER023 Trigonelline NA 137.047678 RT 2.4 fragt PFEM_hmdb_metabocards_official NA NA +EUR614 Para-aminobenzoic acid NA 137.047679 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +EUR614 Para-aminobenzoic acid NA 137.047679 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR614 Para-aminobenzoic acid NA 137.047679 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR614 Para-aminobenzoic acid NA 137.047679 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR614 Para-aminobenzoic acid NA 137.047679 identifiés dans standard mixture NuGO HMDB NA NA +EUR614 Para-aminobenzoic acid NA 137.047679 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +EUR614 Para-aminobenzoic acid NA 137.047679 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR614 Para-aminobenzoic acid NA 137.047679 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +HMDB01123 2-Aminobenzoic acid C7H7NO2 137.04768 http://www.hmdb.ca/metabolites/HMDB01123 PFEM_hmdb_metabocards_urine NA urine +HMDB01392 p-Aminobenzoic acid C7H7NO2 137.04768 http://www.hmdb.ca/metabolites/HMDB01392 PFEM_hmdb_metabocards_urine NA urine +HMDB01123 2-Aminobenzoic acid C7H7NO2 137.04768 http://www.hmdb.ca/metabolites/HMDB01123 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01392 p-Aminobenzoic acid C7H7NO2 137.04768 http://www.hmdb.ca/metabolites/HMDB01392 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01538 3-Pyridylacetic acid C7H7NO2 137.04768 http://www.hmdb.ca/metabolites/HMDB01538 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01123 2-Aminobenzoic acid C7H7NO2 137.04768 http://www.hmdb.ca/metabolites/HMDB01123 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01392 p-Aminobenzoic acid C7H7NO2 137.04768 http://www.hmdb.ca/metabolites/HMDB01392 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01123 2-Aminobenzoic acid C7H7NO2 137.04768 http://www.hmdb.ca/metabolites/HMDB01123 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01392 p-Aminobenzoic acid C7H7NO2 137.04768 http://www.hmdb.ca/metabolites/HMDB01392 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01123 2-Aminobenzoic acid C7H7NO2 137.04768 http://www.hmdb.ca/metabolites/HMDB01123 HMDB NA NA +HMDB01392 p-Aminobenzoic acid C7H7NO2 137.04768 http://www.hmdb.ca/metabolites/HMDB01392 HMDB NA NA +HMDB01538 3-Pyridylacetic acid C7H7NO2 137.04768 http://www.hmdb.ca/metabolites/HMDB01538 HMDB NA NA +HMDB01891 m-Aminobenzoic acid C7H7NO2 137.04768 http://www.hmdb.ca/metabolites/HMDB01891 HMDB NA NA +HMDB01123 2-Aminobenzoic acid C7H7NO2 137.04768 NA ;SYN:1,4-methyl-imidazoleacetic acid; 1,4-Methylimidazoleacetate; 1-Methyl-4-imidazoleacetate; 1-Methyl-4-imidazoleacetic acid; 1-Methylimidazole-4-acetate; 1-methyl-1H-Imidazole-4-acetate; 1-methyl-1H-Imidazole-4-acetic acid; Methylimidazole acetate; Methylimidazoleacetate; Methylimidazoleacetic acid; N tau-methylimidazoleacetic acid; Tele-methylimidazoleacetate; Tele-methylimidazoleacetic acid; MIAAH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB01538 3-Pyridylacetic acid C7H7NO2 137.04768 Aromatic/Heterocyclic glycine conjugates ;SYN:N-(3-pyridinylcarbonyl)-(9CI)-glycine; N-(3-pyridinylcarbonyl)-glycine; N-(Pyridin-3-ylcarbonyl)glycine; N-Nicotinurate; N-Nicotinuric acid; N-Nicotinylglycine; N-nicotinoyl-(8CI)-Glycine; N-nicotinoyl-Glycine; Nicotinoyl-glycine; Nicotinoylglycine; Nicotinurate; NicotinylglycineH2Blood Inhouse_peptide NA peptide +HMDB01123 2-Aminobenzoic acid C7H7NO2 137.04768 http://www.hmdb.ca/metabolites/HMDB01123 PFEM_hmdb_metabocards_blood NA blood +HMDB01392 p-Aminobenzoic acid C7H7NO2 137.04768 http://www.hmdb.ca/metabolites/HMDB01392 PFEM_hmdb_metabocards_blood NA blood +HMDB01538 3-Pyridylacetic acid C7H7NO2 137.04768 http://www.hmdb.ca/metabolites/HMDB01538 PFEM_hmdb_metabocards_blood NA blood +HMDB01123 2-Aminobenzoic acid C7H7NO2 137.04768 HMDB01123 PFEM_hmdb_metabocards_official NA NA +HMDB01392 p-Aminobenzoic acid C7H7NO2 137.04768 HMDB01392 PFEM_hmdb_metabocards_official NA NA +HMDB01538 3-Pyridylacetic acid C7H7NO2 137.04768 HMDB01538 PFEM_hmdb_metabocards_official NA NA +HMDB01891 m-Aminobenzoic acid C7H7NO2 137.04768 HMDB01891 PFEM_hmdb_metabocards_official NA NA +HMDB00875 Trigonelline C7H7NO2 137.047684 NA HMDB2010 NA NA +HMDB01123 2-Aminobenzoic acid C7H7NO2 137.047684 NA HMDB2010 NA NA +HMDB01392 p-Aminobenzoic acid C7H7NO2 137.047684 NA HMDB2010 NA NA +HMDB01538 3-Pyridylacetic acid C7H7NO2 137.047684 NA HMDB2010 NA NA +HMDB01891 m-Aminobenzoic acid C7H7NO2 137.047684 NA HMDB2010 NA NA +EUR614 Para-aminobenzoic acid [M+H]+ 137.0477 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR614 Para-aminobenzoic acid [M+H]+ 137.0477 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR614 Para-aminobenzoic acid [M+H]+ 137.0477 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR614 Para-aminobenzoic acid [M+H]+ 137.0477 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00108 Anthranilate C7H7NO2 137.0477 NA KEGG NA NA +C00568 4-Aminobenzoate C7H7NO2 137.0477 NA KEGG NA NA +C00569 Arabinogalactan C7H7NO2 137.0477 NA KEGG NA NA +C01004 N-Methylnicotinate C7H7NO2 137.0477 NA KEGG NA NA +C14394 4-Nitrotoluene C7H7NO2 137.0477 NA KEGG NA NA +MLBis011 Para-aminobenzoic acid HMDB01392_RT5.09_add120,94 137.0483 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis011 Para-aminobenzoic acid HMDB01392_RT5.09_add120,94 137.0483 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis011 Para-aminobenzoic acid HMDB01392_RT5.09_add120,94 137.0483 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis011 Para-aminobenzoic acid HMDB01392_RT5.09_add120,94 137.0483 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis011 Para-aminobenzoic acid HMDB01392_RT5.09_add120,94 137.0483 Mlbis HMDB NA NA +MLBis011 Para-aminobenzoic acid HMDB01392_RT5.09_add120,94 137.0483 Mlbis Inhouse_PFEM NA NA +MLBis011 Para-aminobenzoic acid NA 137.0483 138.0555 Inhouse_sept12 NA NA +MLBis011 Para-aminobenzoic acid HMDB01392_RT5.09_add120,94 137.0483 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis011 Para-aminobenzoic acid HMDB01392_RT5.09_add120,94 137.0483 Mlbis PFEM_hmdb_metabocards_official NA NA +C15533 4-Fluoro-L-threonine C4H8FNO3 137.0488 NA KEGG NA NA +C15534 2-Arylethylamine C2H6NR 137.0488 NA KEGG NA NA +C15535 N-Acetyl-2-arylethylamine C4H8NOR 137.0488 NA KEGG NA NA +MJ001570 2-Amino-4-fluoro-3-hydroxybutanoic acid C4H8FNO3 137.048821 NA MeJP NA NA +C07054 Isoniazid C6H7N3O 137.0589 NA KEGG NA NA +MJ001571 3-Pyridinecarboxylic acid; Hydrazide C6H7N3O 137.058911 NA MeJP NA NA +MJ001572 7,8-Dihydroimidazo[1,5-c]pyrimidin-5(6H)-one C6H7N3O 137.058911 NA MeJP NA NA +MJ001573 Isoniazid C6H7N3O 137.058911 NA MeJP NA NA +MetaCyc00776 isoniazide [] C6H7N3O1 137.058912 NA metacyc NA NA +MJ001574 (3-Aminopropyl)methylphosphinic acid C4H12NO2P 137.060565 NA MeJP NA NA +CJpos0245 1-methylnicotinamide 2-Methylnicotinamide [(M)]+ (13C) C613CH9N2O 137.066475 C18rt(min)=0.85 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0245 1-methylnicotinamide § 2-Methylnicotinamide [(M)]+ (13C) C613CH9N2O 137.066475 C18rt(min)=0.85 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB00699 1-Methylnicotinamide C7H9N2O 137.071487 NA HMDB2010 NA NA +MJ001575 1-Methylnicotinamide C7H9N2O 137.071487 NA MeJP NA NA +EUR044 1-Methylnicotinamide C7H9N2O 137.071488 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR044 1-Methylnicotinamide C7H9N2O 137.071488 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR044 1-Methylnicotinamide C7H9N2O 137.071488 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR044 1-Methylnicotinamide C7H9N2O 137.071488 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR044 1-Methylnicotinamide C7H9N2O 137.071488 Wishlist HMDB NA NA +EUR044 1-Methylnicotinamide C7H9N2O 137.071488 Wishlist Inhouse_PFEM NA NA +MetaCyc00777 1-methylnicotinamide [] C7H9N2O1 137.071488 NA metacyc NA NA +EUR044 1-Methylnicotinamide C7H9N2O 137.071488 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR044 1-Methylnicotinamide C7H9N2O 137.071488 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00699 1-Methylnicotinamide C7H9N2O 137.07149 http://www.hmdb.ca/metabolites/HMDB00699 PFEM_hmdb_metabocards_urine NA urine +HMDB00699 1-Methylnicotinamide C7H9N2O 137.07149 http://www.hmdb.ca/metabolites/HMDB00699 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00699 1-Methylnicotinamide C7H9N2O 137.07149 http://www.hmdb.ca/metabolites/HMDB00699 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00699 1-Methylnicotinamide C7H9N2O 137.07149 http://www.hmdb.ca/metabolites/HMDB00699 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00699 1-Methylnicotinamide C7H9N2O 137.07149 http://www.hmdb.ca/metabolites/HMDB00699 HMDB NA NA +HMDB00699 1-Methylnicotinamide C7H9N2O 137.07149 http://www.hmdb.ca/metabolites/HMDB00699 PFEM_hmdb_metabocards_blood NA blood +HMDB00699 1-Methylnicotinamide C7H9N2O 137.07149 HMDB00699 PFEM_hmdb_metabocards_official NA NA +EUR044 1-Methylnicotinamide C7H9N2O 137.0715 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR044 1-Methylnicotinamide C7H9N2O 137.0715 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR044 1-Methylnicotinamide C7H9N2O 137.0715 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR044 1-Methylnicotinamide C7H9N2O 137.0715 Wishlist Inhousejuil11 NA NA +C02918 1-Methylnicotinamide C7H9N2O 137.0715 NA KEGG NA NA +C07400 Pralidoxime C7H9N2O 137.0715 NA KEGG NA NA +7680 ACE inhibitor from pea vicilin QK 137.076 MH2+ Inhouse_peptide NA peptide +HMDB00306 Tyramine C8H11NO 137.08406 http://www.hmdb.ca/metabolites/HMDB00306 PFEM_hmdb_metabocards_urine NA urine +HMDB04989 m-Tyramine C8H11NO 137.08406 http://www.hmdb.ca/metabolites/HMDB04989 PFEM_hmdb_metabocards_urine NA urine +HMDB00306 Tyramine C8H11NO 137.08406 http://www.hmdb.ca/metabolites/HMDB00306 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01065 Phenylethanolamine C8H11NO 137.08406 http://www.hmdb.ca/metabolites/HMDB01065 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04989 m-Tyramine C8H11NO 137.08406 http://www.hmdb.ca/metabolites/HMDB04989 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00306 Tyramine C8H11NO 137.08406 http://www.hmdb.ca/metabolites/HMDB00306 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04989 m-Tyramine C8H11NO 137.08406 http://www.hmdb.ca/metabolites/HMDB04989 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00306 Tyramine C8H11NO 137.08406 http://www.hmdb.ca/metabolites/HMDB00306 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04989 m-Tyramine C8H11NO 137.08406 http://www.hmdb.ca/metabolites/HMDB04989 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00306 Tyramine C8H11NO 137.08406 http://www.hmdb.ca/metabolites/HMDB00306 HMDB NA NA +HMDB01065 Phenylethanolamine C8H11NO 137.08406 http://www.hmdb.ca/metabolites/HMDB01065 HMDB NA NA +HMDB01466 nn-Dimethylaniline-n-oxide C8H11NO 137.08406 http://www.hmdb.ca/metabolites/HMDB01466 HMDB NA NA +HMDB04989 m-Tyramine C8H11NO 137.08406 http://www.hmdb.ca/metabolites/HMDB04989 HMDB NA NA +HMDB00306 Tyramine C8H11NO 137.08406 http://www.hmdb.ca/metabolites/HMDB00306 PFEM_hmdb_metabocards_blood NA blood +HMDB01065 Phenylethanolamine C8H11NO 137.08406 http://www.hmdb.ca/metabolites/HMDB01065 PFEM_hmdb_metabocards_blood NA blood +HMDB04989 m-Tyramine C8H11NO 137.08406 http://www.hmdb.ca/metabolites/HMDB04989 PFEM_hmdb_metabocards_blood NA blood +HMDB00306 Tyramine C8H11NO 137.08406 HMDB00306 PFEM_hmdb_metabocards_official NA NA +HMDB01065 Phenylethanolamine C8H11NO 137.08406 HMDB01065 PFEM_hmdb_metabocards_official NA NA +HMDB01466 nn-Dimethylaniline-n-oxide C8H11NO 137.08406 HMDB01466 PFEM_hmdb_metabocards_official NA NA +HMDB04989 m-Tyramine C8H11NO 137.08406 HMDB04989 PFEM_hmdb_metabocards_official NA NA +LABER061 tyramine NA 137.084061 RT 2.67 fragt 121.0646 PFEM_hmdb_metabocards_urine NA urine +LABER061 tyramine NA 137.084061 RT 2.67 fragt 121.0646 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER061 tyramine NA 137.084061 RT 2.67 fragt 121.0646 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER061 tyramine NA 137.084061 RT 2.67 fragt 121.0646 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER061 tyramine NA 137.084061 RT 2.67 fragt 121.0646 HMDB NA NA +HMDB00306 Tyramine C8H11NO 137.084061 NA HMDB2010 NA NA +HMDB01065 2-Hydroxyphenethylamine C8H11NO 137.084061 NA HMDB2010 NA NA +HMDB01466 Dimethylaniline-N-oxide C8H11NO 137.084061 NA HMDB2010 NA NA +HMDB04989 m-Tyramine C8H11NO 137.084061 NA HMDB2010 NA NA +LABER061 tyramine NA 137.084061 RT 2.67 fragt 121.0646 Inhouse_PFEM NA NA +LABER061 tyramine NA 137.084061 RT 2.67 fragt 121.0646 Inhousejuil11 NA NA +LABER061 tyramine NA 137.084061 RT 2.67 fragt 121.0646 PFEM_hmdb_metabocards_blood NA blood +LABER061 tyramine NA 137.084061 RT 2.67 fragt 121.0646 PFEM_hmdb_metabocards_official NA NA +MJ001576 2-(2-Methoxyethyl)pyridine C8H11NO 137.084063 NA MeJP NA NA +MJ001577 2-Amino-1-phenylethanol C8H11NO 137.084063 NA MeJP NA NA +MJ001578 2-Aminobenzyl alcohol; Me ether C8H11NO 137.084063 NA MeJP NA NA +MJ001579 3-(2-Aminoethyl)phenol C8H11NO 137.084063 NA MeJP NA NA +MJ001580 4-(2-Aminoethyl)phenol C8H11NO 137.084063 NA MeJP NA NA +MJ001581 5,6,7,7a-Tetrahydro-1H-indole-2(3H)-one C8H11NO 137.084063 NA MeJP NA NA +MJ001582 Tyramine C8H11NO 137.084064 NA MeJP NA NA +MetaCyc00778 tyramine [tyrosamine;4-(2-Aminoethyl)phenol;p-Hydroxyphenethylamine;2-(p-Hydroxyphenyl)ethylamine;] C8H11N1O1 137.084064 51-67-2 metacyc NA NA +MetaCyc00779 phenylethanolamine [] C8H11N1O1 137.084064 7568-93-6 metacyc NA NA +MetaCyc00780 nn-dimethylaniline-n-oxide [] C8H11N1O1 137.084064 NA metacyc NA NA +C00483 Tyramine C8H11NO 137.0841 NA KEGG NA NA +C00484 Arylamide C7H6NOR 137.0841 NA KEGG NA NA +C01183 N,N-Dimethylaniline N-oxide C8H11NO 137.0841 NA KEGG NA NA +C02735 Phenylethanolamine C8H11NO 137.0841 NA KEGG NA NA +C02736 Phosphatidyl ester C5H6O8PR3 137.0841 NA KEGG NA NA +C02737 Phosphatidylserine C8H12NO10PR2 137.0841 NA KEGG NA NA +C03473 1-(p-Hydroxyphenyl)ethylamine C8H11NO 137.0841 NA KEGG NA NA +C16570 4-Hydroxy-2,6-dimethylaniline C8H11NO 137.0841 NA KEGG NA NA +3751 NA KK 137.094 MH2+ Inhouse_peptide NA peptide +MJ001583 4,5,6,7-Tetrahydro-1H-imidazo[4,5-c]pyridine; N6-Me C7H11N3 137.095297 NA MeJP NA NA +C16400 2,4,6-Triaminotoluene C7H11N3 137.0953 NA KEGG NA NA +4007 NA WA 137.558 MH2+ Inhouse_peptide NA peptide +7543 ACE inhibitor AW 137.558 MH2+ Inhouse_peptide NA peptide +7840 ACE inhibitor EK 137.568 MH2+ Inhouse_peptide NA peptide +7841 ACE inhibitor KE 137.568 MH2+ Inhouse_peptide NA peptide +HMDB03869 Epsilon-(gamma-Glutamyl)-lysine C11H21N3O5 137.574066 MH2+ Inhouse_peptide NA peptide +C13881 Ba2+ Ba 137.9052 NA KEGG NA NA +C13882 Transferred to D02152 Ba 137.9052 NA KEGG NA NA +HMDB04142 Barium Ba 137.90524 http://www.hmdb.ca/metabolites/HMDB04142 PFEM_hmdb_metabocards_urine NA urine +HMDB04142 Barium Ba 137.90524 http://www.hmdb.ca/metabolites/HMDB04142 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04142 Barium Ba 137.90524 http://www.hmdb.ca/metabolites/HMDB04142 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04142 Barium Ba 137.90524 http://www.hmdb.ca/metabolites/HMDB04142 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04142 Barium Ba 137.90524 http://www.hmdb.ca/metabolites/HMDB04142 HMDB NA NA +HMDB04142 Barium Ba 137.90524 http://www.hmdb.ca/metabolites/HMDB04142 PFEM_hmdb_metabocards_blood NA blood +HMDB04142 Barium Ba 137.90524 HMDB04142 PFEM_hmdb_metabocards_official NA NA +HMDB04142 Barium [Ba]2+ 137.905243 NA HMDB2010 NA NA +MJ001584 Potassium carbonate (K2CO3) CK2O3 137.912157 NA MeJP NA NA +MetaCyc00781 methylarsonate [MMAV;] C1H3O3AS1 137.929815 NA metacyc NA NA +MJ001585 1,2,3-Trithiane C3H6S3 137.963162 NA MeJP NA NA +MJ001586 1,2,4-Trithiane C3H6S3 137.963162 NA MeJP NA NA +C07308 Dimethylarsinate C2H7AsO2 137.9662 NA KEGG NA NA +MJ001587 1,2-Dithiolan-4-ol; S1-Oxide (cis) C3H6O2S2 137.98092 NA MeJP NA NA +MJ001588 1,2-Dithiolan-4-ol; S1-Oxide (trans) C3H6O2S2 137.98092 NA MeJP NA NA +JH080 Aconitic acid (cis-) N/A NA 137.9948 7.59 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH080 Aconitic acid (cis-) N/A NA 137.9948 7.59 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH080 Aconitic acid (cis-) N/A NA 137.9948 7.59 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH080 Aconitic acid (cis-) N/A NA 137.9948 7.59 Inhousejuil11 NA NA +MJ001589 Phosphonomycin C3H7O4P 138.008195 NA MeJP NA NA +MJ001590 (3-Methyloxiranyl)phosphonic acid C3H7O4P 138.008195 NA MeJP NA NA +C06454 Fosfomycin C3H7O4P 138.0082 NA KEGG NA NA +MJ001591 5-Diazo-2,4(1H,3H)-pyrimidinedione C4H2N4O2 138.017775 NA MeJP NA NA +C14480 5-Diazouracil C4H2N4O2 138.0178 NA KEGG NA NA +JH202 Catechin (fragment2) NA 138.0302 11.34 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH202 Catechin (fragment2) NA 138.0302 11.34 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH202 Catechin (fragment2) NA 138.0302 11.34 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH202 Catechin (fragment2) NA 138.0302 11.34 Inhousejuil11 NA NA +HMDB00500 4-Hydroxybenzoic acid C7H6O3 138.03169 http://www.hmdb.ca/metabolites/HMDB00500 PFEM_hmdb_metabocards_urine NA urine +HMDB00500 4-Hydroxybenzoic acid C7H6O3 138.03169 http://www.hmdb.ca/metabolites/HMDB00500 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00500 4-Hydroxybenzoic acid C7H6O3 138.03169 http://www.hmdb.ca/metabolites/HMDB00500 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00500 4-Hydroxybenzoic acid C7H6O3 138.03169 http://www.hmdb.ca/metabolites/HMDB00500 HMDB NA NA +HMDB01895 Salicylic acid C7H6O3 138.03169 http://www.hmdb.ca/metabolites/HMDB01895 HMDB NA NA +HMDB02466 3-Hydroxybenzoic acid C7H6O3 138.03169 http://www.hmdb.ca/metabolites/HMDB02466 HMDB NA NA +HMDB04062 Gentisate aldehyde C7H6O3 138.03169 http://www.hmdb.ca/metabolites/HMDB04062 HMDB NA NA +HMDB00500 4-Hydroxybenzoic acid C7H6O3 138.03169 HMDB00500 PFEM_hmdb_metabocards_official NA NA +HMDB01895 Salicylic acid C7H6O3 138.03169 HMDB01895 PFEM_hmdb_metabocards_official NA NA +HMDB02466 3-Hydroxybenzoic acid C7H6O3 138.03169 HMDB02466 PFEM_hmdb_metabocards_official NA NA +HMDB04062 Gentisate aldehyde C7H6O3 138.03169 HMDB04062 PFEM_hmdb_metabocards_official NA NA +HMDB00500 4-Hydroxybenzoic acid C7H6O3 138.031693 NA HMDB2010 NA NA +HMDB01895 Salicylic acid C7H6O3 138.031693 NA HMDB2010 NA NA +HMDB02466 3-Hydroxybenzoic acid C7H6O3 138.031693 NA HMDB2010 NA NA +HMDB04062 Gentisate aldehyde C7H6O3 138.031693 NA HMDB2010 NA NA +MJ001592 1-(2-Furanyl)-1,2-propanedione C7H6O3 138.031694 NA MeJP NA NA +MJ001593 2,3-Dihydroxy-2,4,6-cycloheptatrien-1-one C7H6O3 138.031694 NA MeJP NA NA +MJ001594 2-Hydroxy-3-methyl-1,4-benzoquinone C7H6O3 138.031694 NA MeJP NA NA +MJ001595 2-Hydroxy-6-methyl-1,4-benzoquinone C7H6O3 138.031694 NA MeJP NA NA +MJ001596 2-Hydroxybenzoic acid C7H6O3 138.031694 NA MeJP NA NA +MJ001597 3,4-Dihydroxybenzaldehyde C7H6O3 138.031694 NA MeJP NA NA +MJ001598 3,4-Methylenedioxyphenol C7H6O3 138.031694 NA MeJP NA NA +MJ001599 3-Hydroxybenzoic acid C7H6O3 138.031694 NA MeJP NA NA +MJ001600 4-Hydroxybenzoic acid C7H6O3 138.031694 NA MeJP NA NA +MJ001601 Hydroxy-1,4-benzoquinone; Me ether C7H6O3 138.031694 NA MeJP NA NA +MJ001602 Hydroxymethyl-1,4-benzoquinone C7H6O3 138.031694 NA MeJP NA NA +MJ001603 3-Hydroxybenzoate C7H6O3 138.031694 NA MeJP NA NA +MJ001604 4-Hydroxybenzoate C7H6O3 138.031694 NA MeJP NA NA +MJ001605 Gentisate aldehyde C7H6O3 138.031694 NA MeJP NA NA +MJ001606 Salicylate C7H6O3 138.031694 NA MeJP NA NA +MetaCyc00782 salicylate [salicylic acid;o-hydroxybenzoic acid;] C7H6O3 138.031694 69-72-7 metacyc NA NA +MetaCyc00783 3-hydroxybenzoate [3-hydroxybenzoic acid;m-hydroxybenzoate;] C7H6O3 138.031694 NA metacyc NA NA +MetaCyc00784 protocatechualdehyde [] C7H6O3 138.031694 NA metacyc NA NA +MetaCyc00785 p-hydroxybenzoate [4-hydroxybenzoate;] C7H6O3 138.031694 99-96-7 metacyc NA NA +C00156 4-Hydroxybenzoate C7H6O3 138.0317 NA KEGG NA NA +C00157 Phosphatidylcholine C10H18NO8PR2 138.0317 NA KEGG NA NA +C00587 3-Hydroxybenzoate C7H6O3 138.0317 NA KEGG NA NA +C00805 Salicylate C7H6O3 138.0317 NA KEGG NA NA +C05585 Gentisate aldehyde C7H6O3 138.0317 NA KEGG NA NA +C10832 Sesamol C7H6O3 138.0317 NA KEGG NA NA +C16700 3,4-Dihydroxybenzaldehyde C7H6O3 138.0317 NA KEGG NA NA +CJneg0105 4-hydroxybenzoic acid [(M-H)]- C7H5O3 138.032225 C18rt(min)=5.65 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0106 Salicylic acid (2-hydroxybenzoic acid) [(M-H)]- C7H5O3 138.032225 C18rt(min)=7.51 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0107 Sulfosalicylic acid isomer [(M-H)-(SO3)]- C7H5O3S0 138.032225 C18rt(min)=4.8 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0105 4-hydroxybenzoic acid [(M-H)]- C7H5O3 138.032225 C18rt(min)=5.65 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0106 Salicylic acid (2-hydroxybenzoic acid) [(M-H)]- C7H5O3 138.032225 C18rt(min)=7.51 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0107 Sulfosalicylic acid isomer [(M-H)-(SO3)]- C7H5O3S0 138.032225 C18rt(min)=4.8 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +JH035 Hydroxybenzoic acid (p-) [M+H]+ C7H6O3 138.0328 Rtobs11.43 PFEM_hmdb_metabocards_urine NA urine +JH035 Hydroxybenzoic acid (p-) [M+H]+ C7H6O3 138.0328 11.43 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH035 Hydroxybenzoic acid (p-) [M+H]+ C7H6O3 138.0328 Rtobs11.43 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH035 Hydroxybenzoic acid (p-) [M+H]+ C7H6O3 138.0328 11.43 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH035 Hydroxybenzoic acid (p-) [M+H]+ C7H6O3 138.0328 Rtobs11.43 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH035 Hydroxybenzoic acid (p-) [M+H]+ C7H6O3 138.0328 11.43 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH035 Hydroxybenzoic acid (p-) [M+H]+ C7H6O3 138.0328 Rtobs11.43 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH035 Hydroxybenzoic acid (p-) [M+H]+ C7H6O3 138.0328 Rtobs11.43 HMDB NA NA +JH035 Hydroxybenzoic acid (p-) [M+H]+ C7H6O3 138.0328 Rtobs11.43 Inhouse_PFEM NA NA +JH035 Hydroxybenzoic acid (p-) [M+H]+ C7H6O3 138.0328 11.43 Inhousejuil11 NA NA +JH035 Hydroxybenzoic acid (p-) [M+H]+ C7H6O3 138.0328 Rtobs11.43 PFEM_hmdb_metabocards_blood NA blood +JH035 Hydroxybenzoic acid (p-) [M+H]+ C7H6O3 138.0328 Rtobs11.43 PFEM_hmdb_metabocards_official NA NA +MetaCyc00786 1-butanesulfonate [1-butanesulfonic acid;1-butane sulfonic acid;butane-1-sulfonic acid;butanesulfonate;n-butyl-1-sulfonate;] C4H10O3S1 138.035065 NA metacyc NA NA +8329 Stimulating vasoactive substance release EE 138.042 MH2+ Inhouse_peptide NA peptide +CJpos0246 Aminonicotinic acid isomers [(M+H)]+ C6H7N2O2 138.042375 C18rt(min)=1.06 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0246 Aminonicotinic acid isomers [(M+H)]+ C6H7N2O2 138.042375 C18rt(min)=1.06 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C00785 Urocanate C6H6N2O2 138.0429 NA KEGG NA NA +C02126 4-Nitroaniline C6H6N2O2 138.0429 NA KEGG NA NA +C02128 5'-Phospho-DNA C10H18O11P2R2 138.0429 NA KEGG NA NA +HMDB00301 Urocanic acid C6H6N2O2 138.04292 http://www.hmdb.ca/metabolites/HMDB00301 PFEM_hmdb_metabocards_urine NA urine +HMDB00301 Urocanic acid C6H6N2O2 138.04292 http://www.hmdb.ca/metabolites/HMDB00301 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02730 Nicotinamide N-oxide C6H6N2O2 138.04292 http://www.hmdb.ca/metabolites/HMDB02730 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00301 Urocanic acid C6H6N2O2 138.04292 http://www.hmdb.ca/metabolites/HMDB00301 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00301 Urocanic acid C6H6N2O2 138.04292 http://www.hmdb.ca/metabolites/HMDB00301 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00301 Urocanic acid C6H6N2O2 138.04292 http://www.hmdb.ca/metabolites/HMDB00301 HMDB NA NA +HMDB02241 cis-Urocanic acid C6H6N2O2 138.04292 http://www.hmdb.ca/metabolites/HMDB02241 HMDB NA NA +HMDB02730 Nicotinamide N-oxide C6H6N2O2 138.04292 http://www.hmdb.ca/metabolites/HMDB02730 HMDB NA NA +HMDB00301 Urocanic acid C6H6N2O2 138.04292 NA ;SYN:2-(3-Pyridyl)acetate; 2-(3-Pyridyl)acetic acid; 2-(Pyridin-3-yl)acetate; 2-(Pyridin-3-yl)acetic acid; 3-Carboxymethylpyridine; 3-Pyridylacetate; 3-Pyridylacetic acid; Coletin; Lessterol; Lioxone; Minedil; Piridil; Piristerol; Pyridin-3-ylacetate; Pyridin-3-ylacetic acid; Toneon; a-(3-Pyridyl)acetate; a-(3-Pyridyl)acetic acid; alpha-(3-Pyridyl)acetate; alpha-(3-Pyridyl)acetic acidH2Blood Inhouse_peptide NA peptide +HMDB00301 Urocanic acid C6H6N2O2 138.04292 http://www.hmdb.ca/metabolites/HMDB00301 PFEM_hmdb_metabocards_blood NA blood +HMDB02730 Nicotinamide N-oxide C6H6N2O2 138.04292 http://www.hmdb.ca/metabolites/HMDB02730 PFEM_hmdb_metabocards_blood NA blood +HMDB00301 Urocanic acid C6H6N2O2 138.04292 HMDB00301 PFEM_hmdb_metabocards_official NA NA +HMDB02241 cis-Urocanic acid C6H6N2O2 138.04292 HMDB02241 PFEM_hmdb_metabocards_official NA NA +HMDB02730 Nicotinamide N-oxide C6H6N2O2 138.04292 HMDB02730 PFEM_hmdb_metabocards_official NA NA +HMDB00301 Urocanic acid C6H6N2O2 138.042923 NA HMDB2010 NA NA +HMDB02730 Nicotinamide N-oxide C6H6N2O2 138.042923 NA HMDB2010 NA NA +MJ001607 Urocanate C6H6N2O2 138.042927 NA MeJP NA NA +MJ001608 1H-Pyrrole-2-carboxylic acidylamide C6H6N2O2 138.042927 NA MeJP NA NA +MJ001609 3-Pyridinecarboxamide; N'-Hydroxy C6H6N2O2 138.042927 NA MeJP NA NA +MJ001610 4-Hydroxy-3-pyridinecarboxylic acid; Amide C6H6N2O2 138.042927 NA MeJP NA NA +MJ001611 5-Oxo-2(5H)-isoxazolepropanoic acid; Nitrile C6H6N2O2 138.042927 NA MeJP NA NA +MJ001612 Urocanic acid C6H6N2O2 138.042927 NA MeJP NA NA +MetaCyc00787 urocanate [urocanic acid;trans-urocanate;] C6H6N2O2 138.042927 104-98-3 metacyc NA NA +MetaCyc00788 4-nitroaniline [p-nitroaniline;4-nitrobenzeneamine;] C6H6N2O2 138.042927 100-01-6 metacyc NA NA +MJ001613 1-Undecene-3,5,7,9-tetrayne C11H6 138.04695 NA MeJP NA NA +MJ001614 Benzyl methyl sulfide C8H10S 138.050321 NA MeJP NA NA +CJpos0247 Trigonelline (and isomer) [(M+H)]+ (13C) C613CH8NO2 138.050475 C18rt(min)=0.93 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0247 Trigonelline (and isomer) [(M+H)]+ (13C) C613CH8NO2 138.050475 C18rt(min)=0.93 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB12182 8-Hydroxypurine C5H6N4O 138.054153 NA HMDB2010 NA NA +MJ001615 1,3-Dimethoxybenzene C8H10O2 138.068079 NA MeJP NA NA +MJ001616 1,4-Benzenediol; Mono-Et ether C8H10O2 138.068079 NA MeJP NA NA +MJ001617 1,4-Dimethoxybenzene C8H10O2 138.068079 NA MeJP NA NA +MJ001618 1-(4-Hydroxyphenyl)ethanol C8H10O2 138.068079 NA MeJP NA NA +MJ001619 2,5-Dimethyl-1,3-benzenediol C8H10O2 138.068079 NA MeJP NA NA +MJ001620 2,6-Dimethyl-1,4-benzenediol C8H10O2 138.068079 NA MeJP NA NA +MJ001621 2,6-Octadienedial C8H10O2 138.068079 NA MeJP NA NA +MJ001622 2-(4-Hydroxyphenyl)ethanol C8H10O2 138.068079 NA MeJP NA NA +MJ001623 2-Ethyl-1,4-benzenediol C8H10O2 138.068079 NA MeJP NA NA +MJ001624 2-Methyl-1,4-benzenediol; 4-Me ether C8H10O2 138.068079 NA MeJP NA NA +MJ001625 2-Phenoxyethanol C8H10O2 138.068079 NA MeJP NA NA +MJ001626 3,5-Octadiyne-1,8-diol C8H10O2 138.068079 NA MeJP NA NA +MJ001627 4,5-Dimethyl-1,3-benzenediol C8H10O2 138.068079 NA MeJP NA NA +MJ001628 4-Ethyl-1,2-benzenediol C8H10O2 138.068079 NA MeJP NA NA +MJ001629 4-Hydroxybenzyl alcohol; 4-Me ether C8H10O2 138.068079 NA MeJP NA NA +MJ001630 4-Hydroxybenzyl alcohol; ?-Me ether C8H10O2 138.068079 NA MeJP NA NA +MJ001631 4-Methyl-1,2-benzenediol; 2-Me ether C8H10O2 138.068079 NA MeJP NA NA +MJ001632 5-Methyl-1,3-benzenediol; Mono-Me ether C8H10O2 138.068079 NA MeJP NA NA +MJ001633 3-Ethylcatechol C8H10O2 138.068079 NA MeJP NA NA +MJ001634 Styrene cis-glycol C8H10O2 138.068079 NA MeJP NA NA +HMDB04284 Tyrosol C8H10O2 138.06808 http://www.hmdb.ca/metabolites/HMDB04284 HMDB NA NA +MetaCyc00789 3-ethylcatechol [2,3-dihydroxyethylbenzene;3-ethyl-benzene-1,2-diol;] C8H10O2 138.06808 NA metacyc NA NA +HMDB04284 Tyrosol C8H10O2 138.06808 HMDB04284 PFEM_hmdb_metabocards_official NA NA +HMDB04284 Tyrosol C8H10O2 138.068085 NA HMDB2010 NA NA +C03352 3-Methoxybenzyl alcohol C8H10O2 138.0681 NA KEGG NA NA +C06044 4-Hydroxyphenylethanol C8H10O2 138.0681 NA KEGG NA NA +C06728 3-Ethylcatechol C8H10O2 138.0681 NA KEGG NA NA +C07084 Styrene cis-glycol C8H10O2 138.0681 NA KEGG NA NA +C11480 2-Methyl-6-oxohepta-2,4-dienal C8H10O2 138.0681 NA KEGG NA NA +C13638 1-(4'-Hydroxyphenyl)ethanol C8H10O2 138.0681 NA KEGG NA NA +C13639 Transferred to D02109 C8H10O2 138.0681 NA KEGG NA NA +C13640 Transferred to D02110 C8H10O2 138.0681 NA KEGG NA NA +C13641 Transferred to D02111 C8H10O2 138.0681 NA KEGG NA NA +C13643 Transferred to D02113 C8H10O2 138.0681 NA KEGG NA NA +C13644 Transferred to D02114 C8H10O2 138.0681 NA KEGG NA NA +C03994 4-Hydroxymethylphenylhydrazine C7H10N2O 138.0793 NA KEGG NA NA +C11765 ProPAM C7H10N2O 138.0793 NA KEGG NA NA +MJ001635 1H-Pyrrole-3-propanoic acid; Amide C7H10N2O 138.079312 NA MeJP NA NA +MJ001636 3,5-Dimethyl-2(1H)-pyrazinone; OH-form, Me ether C7H10N2O 138.079312 NA MeJP NA NA +MJ001637 3-Hydroxybenzylhydrazine C7H10N2O 138.079312 NA MeJP NA NA +MJ001638 Pyracrimycin A C7H10N2O 138.079312 NA MeJP NA NA +MetaCyc00790 4-hydroxymethylphenylhydrazine [] C7H10N2O1 138.079313 NA metacyc NA NA +C13692 Pentylenetetrazole C6H10N4 138.0905 NA KEGG NA NA +MJ001639 2-Amino-4-(3-amino-1-propenyl)-1H-imidazole C6H10N4 138.090546 NA MeJP NA NA +MJ001640 6,7,8,9-Tetrahydro-5H-tetrazolo[1,5-a]azepine C6H10N4 138.090546 NA MeJP NA NA +MJ001641 2,6-Nonadienal C9H14O 138.104465 NA MeJP NA NA +MJ001642 2-Isopropyl-5-methyl-2-cyclopenten-1-one C9H14O 138.104465 NA MeJP NA NA +MJ001643 2-Methyl-3-methylenebicyclo[2.2.1]heptan-2-ol C9H14O 138.104465 NA MeJP NA NA +MJ001644 2-Pentylfuran C9H14O 138.104465 NA MeJP NA NA +MJ001645 3,5,5-Trimethyl-2-cyclohexen-1-one C9H14O 138.104465 NA MeJP NA NA +MJ001646 3,5,5-Trimethyl-3-cyclohexen-1-one C9H14O 138.104465 NA MeJP NA NA +MJ001647 3,6-Nonadienal C9H14O 138.104465 NA MeJP NA NA +MJ001648 4,4-Dimethyl-2-cyclohepten-1-one C9H14O 138.104465 NA MeJP NA NA +MJ001649 4-Acetyl-1-methylcyclohexene C9H14O 138.104465 NA MeJP NA NA +MJ001650 4-Isopropyl-2-cyclohexen-1-one C9H14O 138.104465 NA MeJP NA NA +MJ001651 5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol C9H14O 138.104465 NA MeJP NA NA +MJ001652 5-Isopropylbicyclo[3.1.0]hexan-2-one C9H14O 138.104465 NA MeJP NA NA +MJ001653 6,6-Dimethylbicyclo[3.1.1]heptan-2-one C9H14O 138.104465 NA MeJP NA NA +MetaCyc00791 c-3,6-nonadienal [] C9H14O1 138.104465 NA metacyc NA NA +C08499 Nona-2,6-dienal C9H14O 138.1045 NA KEGG NA NA +C14743 Isophorone C9H14O 138.1045 NA KEGG NA NA +C16323 3,6-Nonadienal C9H14O 138.1045 NA KEGG NA NA +MJ001654 3,7-Dimethyl-1,6-octadiene C10H18 138.14085 NA MeJP NA NA +MJ001655 p-Menth-1-ene C10H18 138.14085 NA MeJP NA NA +MJ001656 p-Menth-3-ene C10H18 138.14085 NA MeJP NA NA +MJ001657 p-Menth-4(8)-ene C10H18 138.14085 NA MeJP NA NA +MJ001658 p-Menth-8-ene C10H18 138.14085 NA MeJP NA NA +C11215 Arsenate ion AsO4 138.9013 NA KEGG NA NA +CJpos0248 Hydroxynicotinic acid isomers [(M+H)]+ C6H6NO3 139.026375 C18rt(min)=1.05 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0248 Hydroxynicotinic acid isomers [(M+H)]+ C6H6NO3 139.026375 C18rt(min)=1.05 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C00870 4-Nitrophenol C6H5NO3 139.0269 NA KEGG NA NA +C00871 Alkylated DNA C10H17O8PR2 139.0269 NA KEGG NA NA +C01020 6-Hydroxynicotinate C6H5NO3 139.0269 NA KEGG NA NA +C01021 Aromatic amino acid C3H6NO2R 139.0269 NA KEGG NA NA +C01022 Caldesmon phosphate C3H6NO2R 139.0269 NA KEGG NA NA +C01988 2-Nitrophenol C6H5NO3 139.0269 NA KEGG NA NA +C14418 3-Nitrophenol C6H5NO3 139.0269 NA KEGG NA NA +MJ001659 4-Nitrophenol C6H5NO3 139.026943 NA MeJP NA NA +MJ001660 6-Hydroxynicotinate C6H5NO3 139.026943 NA MeJP NA NA +MJ001661 3-Hydroxy-2-pyridinecarboxylic acid C6H5NO3 139.026943 NA MeJP NA NA +MJ001662 3-Pyridinecarboxylic acid; N-Oxide C6H5NO3 139.026943 NA MeJP NA NA +MJ001663 5-Formyl-1H-pyrrole-2-carboxylic acid C6H5NO3 139.026943 NA MeJP NA NA +MJ001664 5-Hydroxy-2-pyridinecarboxylic acid C6H5NO3 139.026943 NA MeJP NA NA +MJ001665 Basidalin C6H5NO3 139.026943 NA MeJP NA NA +MetaCyc00792 6-hydroxynicotinate [6-hydroxy-nicotinate;] C6H5N1O3 139.026943 5006-66-6 metacyc NA NA +MetaCyc00793 p-nitrophenol [4-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene;] C6H5N1O3 139.026943 100-02-7 metacyc NA NA +MetaCyc00794 2-nitrophenol [] C6H5N1O3 139.026943 88-75-5 metacyc NA NA +HMDB01232 4-Nitrophenol C6H5NO3 139.026947 NA HMDB2010 NA NA +HMDB02658 6-Hydroxynicotinic acid C6H5NO3 139.026947 NA HMDB2010 NA NA +HMDB13188 3-Hydroxypicolinic acid C6H5NO3 139.026947 NA HMDB2010 NA NA +HMDB01232 4-Nitrophenol C6H5NO3 139.02695 http://www.hmdb.ca/metabolites/HMDB01232 HMDB NA NA +HMDB02658 6-Hydroxynicotinic acid C6H5NO3 139.02695 http://www.hmdb.ca/metabolites/HMDB02658 HMDB NA NA +HMDB01232 4-Nitrophenol C6H5NO3 139.02695 HMDB01232 PFEM_hmdb_metabocards_official NA NA +HMDB02658 6-Hydroxynicotinic acid C6H5NO3 139.02695 HMDB02658 PFEM_hmdb_metabocards_official NA NA +CJneg0108 Hydroxynicotinic acid isomer [(M-H)]- C6H4NO3 139.027525 C18rt(min)=4.48 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0109 Hydroxynicotinic acid isomers [(M-H)]- C6H4NO3 139.027525 C18rt(min)=1.05 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0110 4-Nitrophenol [(M-H)]- C6H4NO3 139.027525 C18rt(min)=7.53 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0108 Hydroxynicotinic acid isomer [(M-H)]- C6H4NO3 139.027525 C18rt(min)=4.48 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0109 Hydroxynicotinic acid isomers [(M-H)]- C6H4NO3 139.027525 C18rt(min)=1.05 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0110 4-Nitrophenol [(M-H)]- C6H4NO3 139.027525 C18rt(min)=7.53 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C03349 3-Aminopropanesulfonate C3H9NO3S 139.0303 NA KEGG NA NA +MJ001666 2-Aminoethanesulfonic acid; N-Me C3H9NO3S 139.030313 NA MeJP NA NA +MJ001667 2-Amino-4-pyrimidinecarboxylic acid C5H5N3O2 139.038176 NA MeJP NA NA +HMDB01978 5-Hydroxypyrazinamide C5H5N3O2 139.038177 NA HMDB2010 NA NA +HMDB01978 5-Hydroxypyrazinamide C5H5N3O2 139.03818 http://www.hmdb.ca/metabolites/HMDB01978 HMDB NA NA +HMDB01978 5-Hydroxypyrazinamide C5H5N3O2 139.03818 HMDB01978 PFEM_hmdb_metabocards_official NA NA +C05679 N-Monomethyl-2-aminoethylphosphonate C3H10NO3P 139.0398 NA KEGG NA NA +MJ001668 N-Monomethyl-2-aminoethylphosphonate C3H10NO3P 139.039829 NA MeJP NA NA +MJ001669 (2-Aminoethyl)phosphonic acid; N-Me C3H10NO3P 139.039829 NA MeJP NA NA +7839 ACE inhibitor ME 139.0412 MH2+ Inhouse_peptide NA peptide +CJpos0249 Aminonicotinic acid isomers [(M+H)]+ (13C) C513CH7N2O2 139.045775 C18rt(min)=1.06 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0249 Aminonicotinic acid isomers [(M+H)]+ (13C) C513CH7N2O2 139.045775 C18rt(min)=1.06 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +3666 ACE inhibitor YP 139.0575 MH2+ Inhouse_peptide NA peptide +CJpos0250 Valine Betaine [M+Na]+ C5H11O2NNa 139.060375 C18rt(min)=1.03 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0250 Valine § Betaine [M+Na]+ C5H11O2NNa 139.060375 C18rt(min)=1.03 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0251 Tiglylglycine [(M+H)-(H2O)]+ C7H10NO2 139.062775 C18rt(min)=5.1 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0251 Tiglylglycine [(M+H)-(H2O)]+ C7H10NO2 139.062775 C18rt(min)=5.1 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +C12110 Gabaculine C7H9NO2 139.0633 NA KEGG NA NA +HMDB00875 Trigonelline C7H9NO2 139.06332 http://www.hmdb.ca/metabolites/HMDB00875 PFEM_hmdb_metabocards_urine NA urine +HMDB00875 Trigonelline C7H9NO2 139.06332 http://www.hmdb.ca/metabolites/HMDB00875 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00875 Trigonelline C7H9NO2 139.06332 http://www.hmdb.ca/metabolites/HMDB00875 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00875 Trigonelline C7H9NO2 139.06332 http://www.hmdb.ca/metabolites/HMDB00875 HMDB NA NA +HMDB00875 Trigonelline C7H9NO2 139.06332 HMDB00875 PFEM_hmdb_metabocards_official NA NA +HMDB12153 3,4-Dihydroxybenzylamine C7H9NO2 139.063324 NA HMDB2010 NA NA +MJ001670 N-Methylnicotinate C7H9NO2 139.063328 NA MeJP NA NA +MJ001671 2-Amino-4-hepten-6-ynoic acid C7H9NO2 139.063328 NA MeJP NA NA +MJ001672 2-Ethyl-3-methyl-2-butenedioic acid, Imide C7H9NO2 139.063328 NA MeJP NA NA +MJ001673 2-Hydroxy-4,6-dimethylpyridine; NH-form, N-Hydroxy C7H9NO2 139.063328 NA MeJP NA NA +MJ001674 3,4-Dihydroxy-2-methylpyridine; NH-form, N-Me C7H9NO2 139.063328 NA MeJP NA NA +MJ001675 3-Acetyl-4-(hydroxymethyl)pyrrole C7H9NO2 139.063328 NA MeJP NA NA +MJ001676 4-Methyl-1H-pyrrole-2-carboxylic acid; Me ester C7H9NO2 139.063328 NA MeJP NA NA +MJ001677 5,6,7,7a-Tetrahydro-7a-hydroxy-3H-pyrrolizin-3-one C7H9NO2 139.063328 NA MeJP NA NA +MJ001678 5-Amino-1,3-cyclohexadiene-1-carboxylic acid C7H9NO2 139.063328 NA MeJP NA NA +MJ001679 6-Amino-5-hydroxy-1,3-cyclohexadiene-1-carboxylic acid, Aldehyde C7H9NO2 139.063328 NA MeJP NA NA +MJ001680 Dihydro-1H-pyrrolizine-3,5(2H,6H)-dione C7H9NO2 139.063328 NA MeJP NA NA +MetaCyc00795 3,4-dihydroxybenzylamine [4-(aminomethyl)-1,2-benzenediol;1,2-benzenediol, 4-(aminomethyl)-;] C7H9N1O2 139.063329 NA metacyc NA NA +HMDB12234 Histidinal C6H9N3O 139.074554 NA HMDB2010 NA NA +MJ001681 4-Amino-5-hydroxymethyl-2-methylpyrimidine C6H9N3O 139.074561 NA MeJP NA NA +MJ001682 L-Histidinal C6H9N3O 139.074561 NA MeJP NA NA +MJ001683 4-Amino-5-(hydroxymethyl)-2-methylpyrimidine C6H9N3O 139.074561 NA MeJP NA NA +MetaCyc00796 hydroxymethylpyrimidine [6-amino-5-hydroxymethyl-2-methylpyrimidine;4-amino-2-methyl-5-pyrimidinemethanol;pyramine;pyramin;Toxopyrimidine;HMP;4-amino-2-methyl-5-hydroxymethylpyrimidine;4-amino-5-hydroxymethyl-2-methylpyrimidine;] C6H9N3O1 139.074562 73-67-6 metacyc NA NA +MetaCyc00797 histidinal [L-histidinal;] C6H9N3O1 139.074562 NA metacyc NA NA +C01279 4-Amino-5-hydroxymethyl-2-methylpyrimidine C6H9N3O 139.0746 NA KEGG NA NA +C01929 L-Histidinal C6H9N3O 139.0746 NA KEGG NA NA +3551 ACE inhibitor (from bovine beta-Lg) LF 139.076 MH2+ Inhouse_peptide NA peptide +7593 ACE inhibitor IF 139.076 MH2+ Inhouse_peptide NA peptide +C00783 Tropinone C8H13NO 139.0997 NA KEGG NA NA +C10400 Supinidine C8H13NO 139.0997 NA KEGG NA NA +C16697 1-Indolizidinone C8H13NO 139.0997 NA KEGG NA NA +MJ001684 Tropinone C8H13NO 139.099714 NA MeJP NA NA +MJ001685 1-Methylenepyrrolizidine, N-Oxide C8H13NO 139.099714 NA MeJP NA NA +MJ001686 2,4-Octadienoic acid, Amide C8H13NO 139.099714 NA MeJP NA NA +MJ001687 4-Acetyl-1,2,3,6-tetrahydro-1-methylpyridine C8H13NO 139.099714 NA MeJP NA NA +MJ001688 4-Ethyl-2,4-hexadienoic acid, Amide C8H13NO 139.099714 NA MeJP NA NA +MJ001689 7-Hydroxy-1-methylenepyrrolizidine C8H13NO 139.099714 NA MeJP NA NA +MJ001690 8-Methyl-8-azabicyclo[3.2.1]octan-3-one C8H13NO 139.099714 NA MeJP NA NA +MJ001691 Crotalaria goreensis Base C C8H13NO 139.099714 NA MeJP NA NA +MJ001692 Hygrine, 1',2-Didehydro(E-) C8H13NO 139.099714 NA MeJP NA NA +MJ001693 Supinidine C8H13NO 139.099714 NA MeJP NA NA +MJ001694 2-Furanmethanamine; N-Tri-Me C8H14NO(+) 139.099714 NA MeJP NA NA +MetaCyc00798 tropinone [] C8H13N1O1 139.099714 532-24-1 metacyc NA NA +MJ001695 4-[2-(Dimethylamino)ethyl]imidazole C7H13N3 139.110947 NA MeJP NA NA +MJ001696 2-Methyl-6-(1-propenyl)piperidine C9H17N 139.136099 NA MeJP NA NA +C10165 Pinidine C9H17N 139.1361 NA KEGG NA NA +3355 Stimulating vasoactive substance release SSS 139.548 MH2+ Inhouse_peptide NA peptide +7683 ACE inhibitor from garlic NF 139.55545 MH2+ Inhouse_peptide NA peptide +MetaCyc00799 arsenate [inorganic arsenate;orthoarsenate;AsO43-;] H1O4AS1 139.90908 7778-39-4 metacyc NA NA +MJ001697 1,2,4-Trithiolane; 1-Oxide C2H4OS3 139.942426 NA MeJP NA NA +MJ001698 1,2,4-Trithiolane; 4-Oxide C2H4OS3 139.942426 NA MeJP NA NA +MJ001699 2,3-Dichloro-2-propenoic acid C3H2Cl2O2 139.943184 NA MeJP NA NA +MJ001700 3,3-Dichloro-2-propenoic acid C3H2Cl2O2 139.943184 NA MeJP NA NA +HMDB12258 Methylarsonate CH5AsO3 139.945465 NA HMDB2010 NA NA +MJ001701 Methylarsonic acid CH5AsO3 139.945465 NA MeJP NA NA +C07294 Methylarsonate CH5AsO3 139.9455 NA KEGG NA NA +MJ001702 Cyclopentanepentone C5O5 139.974573 NA MeJP NA NA +C14179 Sulfoacetate C2H4O5S 139.9779 NA KEGG NA NA +MJ001703 Sulfoacetaldehyde C2H4O5S 139.977943 NA MeJP NA NA +HMDB01494 Acetylphosphate C2H5O5P 139.987457 NA HMDB2010 NA NA +HMDB04110 Phosphonoacetate C2H5O5P 139.987457 NA HMDB2010 NA NA +MJ001704 Phosphonoacetic acid C2H5O5P 139.987459 NA MeJP NA NA +MJ001705 Acetyl phosphate C2H5O5P 139.987459 NA MeJP NA NA +MJ001706 Phosphonoacetate C2H5O5P 139.987459 NA MeJP NA NA +HMDB01494 Acetylphosphate C2H5O5P 139.98746 http://www.hmdb.ca/metabolites/HMDB01494 HMDB NA NA +HMDB04110 Phosphonoacetate C2H5O5P 139.98746 http://www.hmdb.ca/metabolites/HMDB04110 HMDB NA NA +MetaCyc00800 phosphonoacetate [Phosphonoacetic acid;] C2H5O5P1 139.98746 NA metacyc NA NA +MetaCyc00801 acetylphosphate [acetyl-P;] C2H5O5P1 139.98746 19926-71-7 metacyc NA NA +HMDB01494 Acetylphosphate C2H5O5P 139.98746 HMDB01494 PFEM_hmdb_metabocards_official NA NA +HMDB04110 Phosphonoacetate C2H5O5P 139.98746 HMDB04110 PFEM_hmdb_metabocards_official NA NA +C00227 Acetyl phosphate C2H5O5P 139.9875 NA KEGG NA NA +C00229 Acyl-carrier protein HSR 139.9875 NA KEGG NA NA +C05682 Phosphonoacetate C2H5O5P 139.9875 NA KEGG NA NA +MJ001707 4-Chlorobenzaldehyde C7H5ClO 140.002892 NA MeJP NA NA +C06648 4-Chlorobenzaldehyde C7H5ClO 140.0029 NA KEGG NA NA +MJ001708 cis-4-Carboxymethylenebut-2-en-4-olide C6H4O4 140.010958 NA MeJP NA NA +MJ001709 2,5-Dihydroxy-1,4-benzoquinone C6H4O4 140.010958 NA MeJP NA NA +MetaCyc00802 4-carboxymethylenebut-2-en-4-olide [cis-4-carboxymethylenebut-2-en-4-olide;] C6H4O4 140.010959 3374-46-7 metacyc NA NA +C04431 cis-4-Carboxymethylenebut-2-en-4-olide C6H4O4 140.011 NA KEGG NA NA +C04432 tRNA containing 6-isopentenyladenosine C15H22N5O7P 140.011 NA KEGG NA NA +C12838 trans-4-Carboxymethylenebut-2-en-4-olide C6H4O4 140.011 NA KEGG NA NA +C12839 Transferred to D01393 C6H4O4 140.011 NA KEGG NA NA +C12840 Transferred to D01394 C6H4O4 140.011 NA KEGG NA NA +C12841 Transferred to D01395 C6H4O4 140.011 NA KEGG NA NA +MetaCyc00803 5-hydroxymethyluracil [] C5H4N2O3 140.022192 4433-40-3 metacyc NA NA +C17206 Uracil 5-carbaldehyde C5H4N2O3 140.0222 NA KEGG NA NA +C17207 1,4-beta-D-Mannooligosaccharide H2O 140.0222 NA KEGG NA NA +C06452 2-Hydroxypropylphosphonate C3H9O4P 140.0238 NA KEGG NA NA +MetaCyc00804 4-fluorobenzoate [p-fluorobenzoic acid;] C7H5O2F1 140.027358 NA metacyc NA NA +MetaCyc00805 2-fluorobenzoate [] C7H5O2F1 140.027358 NA metacyc NA NA +C02359 2-Fluorobenzoate C7H5FO2 140.0274 NA KEGG NA NA +C02364 3-Fluorobenzoate C7H5FO2 140.0274 NA KEGG NA NA +C02371 4-Fluorobenzoate C7H5FO2 140.0274 NA KEGG NA NA +MJ001710 2,3-Dihydro-6-methylthieno[2,3-c]furan C7H8OS 140.029585 NA MeJP NA NA +MJ001711 2-Acetyl-5-methylthiophene C7H8OS 140.029585 NA MeJP NA NA +EUR278 Uric acid F2 F2 140.031875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR278 Acide urique F2 NA 140.031875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR278 Uric acid F2 F2 140.031875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR278 Acide urique F2 NA 140.031875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR278 Uric acid F2 F2 140.031875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR278 Acide urique F2 NA 140.031875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR278 Uric acid F2 F2 140.031875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR278 Uric acid F2 F2 140.031875 standards wishlist analysés sur QTOF HMDB NA NA +EUR278 Uric acid F2 F2 140.031875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR278 Acide urique F2 NA 140.031875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR278 Uric acid F2 F2 140.031875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR278 Uric acid F2 F2 140.031875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C11764 Sarin C4H10FO2P 140.0402 NA KEGG NA NA +MJ001712 3-Methyl-2-pyrazinethiol; SH-form, S-Me C6H8N2S 140.040818 NA MeJP NA NA +C03338 2,3,5-Trihydroxytoluene C7H8O3 140.0473 NA KEGG NA NA +C10792 Gentisyl alcohol C7H8O3 140.0473 NA KEGG NA NA +C14110 4-Hydroxymethylcatechol C7H8O3 140.0473 NA KEGG NA NA +C16401 2,4,6-Trihydroxytoluene C7H8O3 140.0473 NA KEGG NA NA +MJ001713 -Methyl-1,2,4-benzenetriol C7H8O3 140.047344 NA MeJP NA NA +MJ001714 1,2,3-Benzenetriol; 1-Me ether C7H8O3 140.047344 NA MeJP NA NA +MJ001715 1,2,3-Benzenetriol; 2-Me ether C7H8O3 140.047344 NA MeJP NA NA +MJ001716 1,3,5-Benzenetriol; Mono-Me ether C7H8O3 140.047344 NA MeJP NA NA +MJ001717 2,5-Dihydroxybenzyl alcohol C7H8O3 140.047344 NA MeJP NA NA +MJ001718 2-Ethyl-3-hydroxy-4H-pyran-4-one C7H8O3 140.047344 NA MeJP NA NA +MJ001719 2-Methylene-3-oxocyclopentanecarboxylic acid C7H8O3 140.047344 NA MeJP NA NA +MJ001720 3,5-Dihydroxy-5-vinyl-2-cyclopenten-1-one C7H8O3 140.047344 NA MeJP NA NA +MJ001721 4-Hydroxy-3,6-dimethyl-2H-pyran-2-one C7H8O3 140.047344 NA MeJP NA NA +MJ001722 5-Methyl-1,2,3-benzenetriol C7H8O3 140.047344 NA MeJP NA NA +MJ001723 6-Methyl-1,2,4-benzenetriol C7H8O3 140.047344 NA MeJP NA NA +MJ001724 Epoformin C7H8O3 140.047344 NA MeJP NA NA +MJ001725 Isoepiepoformin C7H8O3 140.047344 NA MeJP NA NA +MetaCyc00806 2,3,5-trihydroxytoluene [] C7H8O3 140.047344 NA metacyc NA NA +JH082 Arginine [M+H-2NH2]+ NA 140.05804 1.13 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH082 Arginine [M+H-2NH2]+ NA 140.05804 1.13 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH082 Arginine [M+H-2NH2]+ NA 140.05804 1.13 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH082 Arginine [M+H-2NH2]+ NA 140.05804 1.13 Inhousejuil11 NA NA +CJpos0252 Methylimidazoleacetic acid isomers [(M+H)]+ C6H9N2O2 140.058075 C18rt(min)=0.93 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0252 Methylimidazoleacetic acid isomers [(M+H)]+ C6H9N2O2 140.058075 C18rt(min)=0.93 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ001726 3-Methylimidazoleacetic acid C6H8N2O2 140.058577 NA MeJP NA NA +MJ001727 1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione C6H8N2O2 140.058577 NA MeJP NA NA +MJ001728 1H-Imidazole-4(5)-propanoic acid C6H8N2O2 140.058577 NA MeJP NA NA +MJ001729 2,3-Dihydro-5-imino-2-pyridinecarboxylic acid C6H8N2O2 140.058577 NA MeJP NA NA +MJ001730 4,5,6,7-Tetrahydroisoxazolo[5,4-c]pyridin-3-ol C6H8N2O2 140.058577 NA MeJP NA NA +MJ001731 Norzooanemonin C6H8N2O2 140.058577 NA MeJP NA NA +HMDB02144 1,3-Dimethyluracil C6H8N2O2 140.058578 NA HMDB2010 NA NA +HMDB02271 Imidazolepropionic acid C6H8N2O2 140.058578 NA HMDB2010 NA NA +HMDB02820 Methylimidazoleacetic acid C6H8N2O2 140.058578 NA HMDB2010 NA NA +HMDB04988 Pi-Methylimidazoleacetic acid C6H8N2O2 140.058578 NA HMDB2010 NA NA +HMDB02820 Methylimidazoleacetic acid C6H8N2O2 140.05858 http://www.hmdb.ca/metabolites/HMDB02820 PFEM_hmdb_metabocards_urine NA urine +HMDB04988 pi-Methylimidazoleacetic acid C6H8N2O2 140.05858 http://www.hmdb.ca/metabolites/HMDB04988 PFEM_hmdb_metabocards_urine NA urine +HMDB04988 pi-Methylimidazoleacetic acid C6H8N2O2 140.05858 http://www.hmdb.ca/metabolites/HMDB04988 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02820 Methylimidazoleacetic acid C6H8N2O2 140.05858 http://www.hmdb.ca/metabolites/HMDB02820 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04988 pi-Methylimidazoleacetic acid C6H8N2O2 140.05858 http://www.hmdb.ca/metabolites/HMDB04988 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02820 Methylimidazoleacetic acid C6H8N2O2 140.05858 http://www.hmdb.ca/metabolites/HMDB02820 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04988 pi-Methylimidazoleacetic acid C6H8N2O2 140.05858 http://www.hmdb.ca/metabolites/HMDB04988 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02144 1,3-Dimethyluracil C6H8N2O2 140.05858 http://www.hmdb.ca/metabolites/HMDB02144 HMDB NA NA +HMDB02271 Imidazolepropionic acid C6H8N2O2 140.05858 http://www.hmdb.ca/metabolites/HMDB02271 HMDB NA NA +HMDB02820 Methylimidazoleacetic acid C6H8N2O2 140.05858 http://www.hmdb.ca/metabolites/HMDB02820 HMDB NA NA +HMDB04988 pi-Methylimidazoleacetic acid C6H8N2O2 140.05858 http://www.hmdb.ca/metabolites/HMDB04988 HMDB NA NA +HMDB02820 Methylimidazoleacetic acid C6H8N2O2 140.05858 NA ;SYN:pentosidineH2Blood; Cerebrospinal Fluid Inhouse_peptide NA peptide +HMDB04988 Pi-Methylimidazoleacetic acid C6H8N2O2 140.05858 ;SYN:H-Ala-Pro-Gly-Pro-Arg-OH; APGPR; N2-[1-[N-(1-L-alanyl-L-prolyl)glycyl]-L-prolyl] L-Arginine; L-alanyl-L-prolylglycyl-L-prolyl-L-ArginineH2Blood Inhouse_peptide NA peptide +HMDB04988 pi-Methylimidazoleacetic acid C6H8N2O2 140.05858 http://www.hmdb.ca/metabolites/HMDB04988 PFEM_hmdb_metabocards_blood NA blood +HMDB02144 1,3-Dimethyluracil C6H8N2O2 140.05858 HMDB02144 PFEM_hmdb_metabocards_official NA NA +HMDB02271 Imidazolepropionic acid C6H8N2O2 140.05858 HMDB02271 PFEM_hmdb_metabocards_official NA NA +HMDB02820 Methylimidazoleacetic acid C6H8N2O2 140.05858 HMDB02820 PFEM_hmdb_metabocards_official NA NA +HMDB04988 pi-Methylimidazoleacetic acid C6H8N2O2 140.05858 HMDB04988 PFEM_hmdb_metabocards_official NA NA +C05828 Methylimidazoleacetic acid C6H8N2O2 140.0586 NA KEGG NA NA +C13693 4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol C6H8N2O2 140.0586 NA KEGG NA NA +C17717 5-Phenyl-1,3-pentadiyne C11H8 140.0626 NA KEGG NA NA +C17796 Norcapillene C11H8 140.0626 NA KEGG NA NA +MJ001732 1,3-Undecadiene-5,7,9-triyne C11H8 140.0626 NA MeJP NA NA +MJ001733 1,9-Undecadiene-3,5,7-triyne C11H8 140.0626 NA MeJP NA NA +MJ001734 1-Phenyl-1,3-pentadiyne C11H8 140.0626 NA MeJP NA NA +MJ001735 5-Phenyl-1,3-pentadiyne C11H8 140.0626 NA MeJP NA NA +3492 ACE inhibitor from sake VY 140.0655 MH2+ Inhouse_peptide NA peptide +8224 antioxidative peptide VY 140.0655 MH2+ Inhouse_peptide NA peptide +C06727 cis-1,2-Dihydro-3-ethylcatechol C8H12O2 140.0837 NA KEGG NA NA +C16656 2-Propyl-2,4-pentadienoic acid C8H12O2 140.0837 NA KEGG NA NA +C18011 7-Hydroxy-6-methylhepta-3,5-dienal C8H12O2 140.0837 NA KEGG NA NA +MJ001736 cis-1,2-Dihydro-3-ethylcatechol C8H12O2 140.083729 NA MeJP NA NA +MJ001737 2,4-Hexadien-1-ol, Ac C8H12O2 140.083729 NA MeJP NA NA +MJ001738 2-(2-Hydroxypropyl)-4-methylfuran C8H12O2 140.083729 NA MeJP NA NA +MJ001739 2-Ethyl-2,3-dihydro-6-methyl-4H-pyran-4-one C8H12O2 140.083729 NA MeJP NA NA +MJ001740 5,6-Dihydro-6-propyl-2H-pyran-2-one C8H12O2 140.083729 NA MeJP NA NA +MJ001741 5-(1-Butenyl)-dihydro-2(3H)-furanone C8H12O2 140.083729 NA MeJP NA NA +MJ001742 5-Methyl-3-propyl-2(5H)-furanone C8H12O2 140.083729 NA MeJP NA NA +MJ001743 6-Ethyl-2,3-dihydro-2-methyl-4H-pyran-4-one C8H12O2 140.083729 NA MeJP NA NA +MetaCyc00807 cis-1,2-dihydro-3-ethylcatechol [cis-2,3-dihydroxy-2,3-dihydroethylbenzene;cis-3-ethyl-cyclohexa-3,5-diene-1,2-diol;] C8H12O2 140.08373 NA metacyc NA NA +MJ001744 Loline; N-De-Me C7H12N2O 140.094963 NA MeJP NA NA +MJ001745 Pyracrimycin A, 1,2-Dihydro C7H12N2O 140.094963 NA MeJP NA NA +MJ001746 1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane C6H12N4 140.106196 NA MeJP NA NA +MJ001747 1-Nonen-3-one C9H16O 140.120115 NA MeJP NA NA +MJ001748 1-Nonen-4-one C9H16O 140.120115 NA MeJP NA NA +MJ001749 2,2,6-Trimethylcyclohexanone C9H16O 140.120115 NA MeJP NA NA +MJ001750 2,3-Dihydro-2,5-dimethyl-2-isopropylfuran C9H16O 140.120115 NA MeJP NA NA +MJ001751 2,3-Dihydro-2-isopropyl-2,5-dimethylfuran C9H16O 140.120115 NA MeJP NA NA +MJ001752 2,3-Dimethylbicyclo[2.2.1]heptan-2-ol C9H16O 140.120115 NA MeJP NA NA +MJ001753 2,4-Dimethyl-2,4-heptadien-1-ol C9H16O 140.120115 NA MeJP NA NA +MJ001754 2,6-Dimethyl-5-heptenal C9H16O 140.120115 NA MeJP NA NA +MJ001755 2,6-Nonadien-1-ol C9H16O 140.120115 NA MeJP NA NA +MJ001756 2-(3-Methylcyclopentyl)propanal C9H16O 140.120115 NA MeJP NA NA +MJ001757 2-Nonen-4-one C9H16O 140.120115 NA MeJP NA NA +MJ001758 2-Nonenal C9H16O 140.120115 NA MeJP NA NA +MJ001759 3,5-Dimethyl-3-hepten-2-one C9H16O 140.120115 NA MeJP NA NA +MJ001760 3,6-Nonadien-1-ol C9H16O 140.120115 NA MeJP NA NA +MJ001761 3-Nonen-2-one C9H16O 140.120115 NA MeJP NA NA +MJ001762 5-Nonen-2-one C9H16O 140.120115 NA MeJP NA NA +MJ001763 6,8-Nonadien-2-ol C9H16O 140.120115 NA MeJP NA NA +MJ001764 6-Butyl-3,4-dihydro-2H-pyran C9H16O 140.120115 NA MeJP NA NA +MJ001765 6-Nonen-2-one C9H16O 140.120115 NA MeJP NA NA +MJ001766 6-Nonenal C9H16O 140.120115 NA MeJP NA NA +MJ001767 7-Methyl-4-octen-3-one C9H16O 140.120115 NA MeJP NA NA +MJ001768 7-Nonen-4-one C9H16O 140.120115 NA MeJP NA NA +MJ001769 8-Nonen-2-one C9H16O 140.120115 NA MeJP NA NA +MJ001770 8-Nonen-3-one C9H16O 140.120115 NA MeJP NA NA +MetaCyc00808 t-2-nonenal [trans-2-nonealdehyde;3-hexyl-2-propenal;(E)-2-nonen-1-al;(E)-2-nonenal;trans-2-nonen-1-al;heptylidene acetaldehyde;] C9H16O1 140.120115 NA metacyc NA NA +MetaCyc00809 c-3-nonenal [] C9H16O1 140.120115 NA metacyc NA NA +CJneg0111 Sebacic acid [(M-H)-(H2O)-(CO2)]- C9H15O 140.120625 C18rt(min)=7.65 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0111 Sebacic acid [(M-H)-(H2O)-(CO2)]- C9H15O 140.120625 C18rt(min)=7.65 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ001771 1-Isopropyl-2,3-dimethylcyclopentane C10H20 140.1565 NA MeJP NA NA +MJ001772 Butylcyclohexane C10H20 140.1565 NA MeJP NA NA +MJ001773 p-Menthane C10H20 140.1565 NA MeJP NA NA +C00169 Carbamoyl phosphate CH4NO5P 140.9827 NA KEGG NA NA +MJ001774 Carbamoyl phosphate CH4NO5P 140.982708 NA MeJP NA NA +MetaCyc00810 carbamoyl-phosphate [carbamoyl-P;carbamyl-phosphate;] C1H4N1O5P1 140.982709 590-55-6 metacyc NA NA +HMDB01096 Carbamoylphosphate CH4NO5P 140.98271 http://www.hmdb.ca/metabolites/HMDB01096 HMDB NA NA +HMDB01096 Carbamoylphosphate CH4NO5P 140.98271 HMDB01096 PFEM_hmdb_metabocards_official NA NA +HMDB01096 Carbamoylphosphate CH4NO5P 140.982712 NA HMDB2010 NA NA +C14281 5-Nitrofurfural C5H3NO4 141.0062 NA KEGG NA NA +C16552 Nornitrogen mustard C4H9Cl2N 141.0112 NA KEGG NA NA +HMDB00224 O-Phosphoethanolamine C2H8NO4P 141.019089 NA HMDB2010 NA NA +HMDB00224 O-Phosphoethanolamine C2H8NO4P 141.01909 http://www.hmdb.ca/metabolites/HMDB00224 PFEM_hmdb_metabocards_urine NA urine +HMDB00224 O-Phosphoethanolamine C2H8NO4P 141.01909 http://www.hmdb.ca/metabolites/HMDB00224 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00224 O-Phosphoethanolamine C2H8NO4P 141.01909 http://www.hmdb.ca/metabolites/HMDB00224 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00224 O-Phosphoethanolamine C2H8NO4P 141.01909 http://www.hmdb.ca/metabolites/HMDB00224 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00224 O-Phosphoethanolamine C2H8NO4P 141.01909 http://www.hmdb.ca/metabolites/HMDB00224 HMDB NA NA +HMDB00224 O-Phosphoethanolamine C2H8NO4P 141.01909 http://www.hmdb.ca/metabolites/HMDB00224 PFEM_hmdb_metabocards_blood NA blood +HMDB00224 O-Phosphoethanolamine C2H8NO4P 141.01909 HMDB00224 PFEM_hmdb_metabocards_official NA NA +MJ001775 (2-Amino-1-hydroxyethyl)phosphonic acid C2H8NO4P 141.019094 NA MeJP NA NA +MJ001776 1-Hydroxy-2-aminoethylphosphonate C2H8NO4P 141.019094 NA MeJP NA NA +MJ001777 Ethanolamine phosphate C2H8NO4P 141.019094 NA MeJP NA NA +MetaCyc00811 phosphoryl-ethanolamine [phosphoethanolamine;ethanolamine phosphate;O-Phosphorylethanolamine;O-Phosphoethanolamine;] C2H8N1O4P1 141.019094 1071-23-4 metacyc NA NA +C00346 Ethanolamine phosphate C2H8NO4P 141.0191 NA KEGG NA NA +C00347 Long-chain carboxylate C3H5O2R 141.0191 NA KEGG NA NA +C05678 1-Hydroxy-2-aminoethylphosphonate C2H8NO4P 141.0191 NA KEGG NA NA +HMDB01280 2-Aminomuconic acid semialdehyde C6H7NO3 141.042587 NA HMDB2010 NA NA +HMDB01280 2-Aminomuconic acid semialdehyde C6H7NO3 141.04259 http://www.hmdb.ca/metabolites/HMDB01280 HMDB NA NA +HMDB01280 2-Aminomuconic acid semialdehyde C6H7NO3 141.04259 HMDB01280 PFEM_hmdb_metabocards_official NA NA +MJ001778 2,3,5-Trihydroxy-6-methylpyridine C6H7NO3 141.042593 NA MeJP NA NA +MJ001779 2-(Aminomethyl)-5-hydroxy-4H-pyran-4-one C6H7NO3 141.042593 NA MeJP NA NA +MJ001780 3-Amino-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one C6H7NO3 141.042593 NA MeJP NA NA +MJ001781 5-Amino-2(5H)-furanone, N-Ac C6H7NO3 141.042593 NA MeJP NA NA +MJ001782 5-Methyl-3-isoxazolecarboxylic acid; Me ester C6H7NO3 141.042593 NA MeJP NA NA +MJ001783 Gentiocrucine C6H7NO3 141.042593 NA MeJP NA NA +MJ001784 2-Aminomuconate semialdehyde C6H7NO3 141.042593 NA MeJP NA NA +MetaCyc00812 1,4,5,6-tetrahydro-6-oxonicotinate [] C6H7N1O3 141.042593 NA metacyc NA NA +MetaCyc00813 2-aminomuconate semialdehyde [2-Aminomuconate 6-semialdehyde;2-aminomuconic semialdehyde;] C6H7N1O3 141.042593 NA metacyc NA NA +C03824 2-Aminomuconate semialdehyde C6H7NO3 141.0426 NA KEGG NA NA +C04226 6-Oxo-1,4,5,6-tetrahydronicotinate C6H7NO3 141.0426 NA KEGG NA NA +C09960 Gentianaine C6H7NO3 141.0426 NA KEGG NA NA +MJ001785 2-Methyl-4(5)-nitroimidazole; 3H-form, N-Me C5H7N3O2 141.053826 NA MeJP NA NA +MJ001786 4-Amino-5-hydroxymethyl-2(1H)-pyrimidinone C5H7N3O2 141.053826 NA MeJP NA NA +MetaCyc00814 2-amino-4-carboxypyrimidine [] C5H7N3O2 141.053826 NA metacyc NA NA +8219 antioxidative peptide TY 141.055 MH2+ Inhouse_peptide NA peptide +MJ001787 2-(2-Methylpropyl)thiazole C7H11NS 141.06122 NA MeJP NA NA +MJ001788 6-Isothiocyanato-1-hexene C7H11NS 141.06122 NA MeJP NA NA +CJpos0253 Methylimidazoleacetic acid isomers [(M+H)]+ (13C) C513CH9N2O2 141.061375 C18rt(min)=0.93 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0253 Methylimidazoleacetic acid isomers [(M+H)]+ (13C) C513CH9N2O2 141.061375 C18rt(min)=0.93 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0254 Isovalerylglycine [(M+H)-(H2O)]+ C7H12NO2 141.078475 C18rt(min)=5.2 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0255 Pantothenic acid [(M+H)-(C2H6O3)]+ C7H12O2N 141.078475 C18rt(min)=4.77 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0254 Isovalerylglycine [(M+H)-(H2O)]+ C7H12NO2 141.078475 C18rt(min)=5.2 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0255 Pantothenic acid [(M+H)-(C2H6O3)]+ C7H12O2N 141.078475 C18rt(min)=4.77 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ001789 1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid C7H11NO2 141.078978 NA MeJP NA NA +MJ001790 1,2,5,6-Tetrahydro-3-pyridinecarboxylic acid; Me ester C7H11NO2 141.078978 NA MeJP NA NA +MJ001791 2,3-Dehydro-?-stachydrine C7H11NO2 141.078978 NA MeJP NA NA +MJ001792 2-Amino-4-methyl-5-hexynoic acid C7H11NO2 141.078978 NA MeJP NA NA +MJ001793 3-Ethyl-3-methyl-2,5-pyrrolidinedione C7H11NO2 141.078978 NA MeJP NA NA +MJ001794 3-Methyl-1-pentyn-3-ol, Carbamoyl C7H11NO2 141.078978 NA MeJP NA NA +MJ001795 Hexahydro-7a-hydroxy-3H-pyrrolizin-3-one C7H11NO2 141.078978 NA MeJP NA NA +MJ001796 Hypoglycin A C7H11NO2 141.078978 NA MeJP NA NA +MJ001797 ?-Amino-2-cyclopentene-1-acetic acid; C7H11NO2 141.078978 NA MeJP NA NA +MJ001798 ?-Amino-2-cyclopentene-1-acetic acid C7H11NO2 141.078978 NA MeJP NA NA +C07505 Ethosuximide C7H11NO2 141.079 NA KEGG NA NA +C08287 L-Hypoglycin C7H11NO2 141.079 NA KEGG NA NA +C10128 Arecaidine C7H11NO2 141.079 NA KEGG NA NA +C16821 Guvacoline C7H11NO2 141.079 NA KEGG NA NA +PARAC011 L-Histidinol C6H11N3O 141.0798 RT0.9 PFEM_hmdb_metabocards_urine NA urine +PARAC011 L-Histidinol C6H11N3O 141.0798 RT0.9 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC011 L-Histidinol C6H11N3O 141.0798 RT0.9 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC011 L-Histidinol C6H11N3O 141.0798 RT0.9 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC011 L-Histidinol C6H11N3O 141.0798 RT0.9 HMDB NA NA +PARAC011 L-Histidinol C6H11N3O 141.0798 RT0.9 Inhouse_PFEM NA NA +PARAC011 L-Histidinol C6H11N3O 141.0798 RT0.9 PFEM_hmdb_metabocards_blood NA blood +PARAC011 L-Histidinol C6H11N3O 141.0798 RT0.9 PFEM_hmdb_metabocards_official NA NA +C00860 L-Histidinol C6H11N3O 141.0902 NA KEGG NA NA +HMDB03431 L-Histidinol C6H11N3O 141.09021 http://www.hmdb.ca/metabolites/HMDB03431 HMDB NA NA +HMDB03431 L-Histidinol C6H11N3O 141.09021 HMDB03431 PFEM_hmdb_metabocards_official NA NA +HMDB03431 L-Histidinol C6H11N3O 141.09021 NA HMDB2010 NA NA +MJ001799 L-Histidinol C6H11N3O 141.090212 NA MeJP NA NA +MetaCyc00815 histidinol [histidol;histidinol;L-histidinol;] C6H11N3O1 141.090212 501-28-0 metacyc NA NA +MJ001800 Hygrine C8H15NO 141.115364 NA MeJP NA NA +MJ001801 Pelletierine C8H15NO 141.115364 NA MeJP NA NA +MJ001802 Tropine C8H15NO 141.115364 NA MeJP NA NA +MJ001803 1-Hydroxymethylpyrrolizidine C8H15NO 141.115364 NA MeJP NA NA +MJ001804 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol C8H15NO 141.115364 NA MeJP NA NA +MJ001805 Conhydrinone C8H15NO 141.115364 NA MeJP NA NA +MJ001806 Hygrine C8H15NO 141.115364 NA MeJP NA NA +MJ001807 Pelletierine C8H15NO 141.115364 NA MeJP NA NA +MJ001808 Physoperuvine C8H15NO 141.115364 NA MeJP NA NA +MetaCyc00816 tropine [] C8H15N1O1 141.115364 120-29-6 metacyc NA NA +MetaCyc00817 pseudotropine [] C8H15N1O1 141.115364 135-97-7 metacyc NA NA +C00729 Tropine C8H15NO 141.1154 NA KEGG NA NA +C00731 28S rRNA C8H15NO 141.1154 NA KEGG NA NA +C02066 Pseudotropine C8H15NO 141.1154 NA KEGG NA NA +C06179 Hygrine C8H15NO 141.1154 NA KEGG NA NA +C06182 Pelletierine C8H15NO 141.1154 NA KEGG NA NA +C10864 Physoperuvine C8H15NO 141.1154 NA KEGG NA NA +C11359 (-)-Hygrine C8H15NO 141.1154 NA KEGG NA NA +C12440 Trachelanthamidine C8H15NO 141.1154 NA KEGG NA NA +C12441 18-Carbamoyl-3,5,7,9,11,13,15,17-octaoxo-octadecanoyl-[acp] C19H20NO10SR 141.1154 NA KEGG NA NA +C12442 18-Carbamoyl-9-hydroxy-3,5,7,11,13,15,17-octaoxo-octadecanoyl-[acp] C19H22NO10SR 141.1154 NA KEGG NA NA +MJ001809 2-Amino-1-cyclopentylpropane, N-Me C9H19N 141.151749 NA MeJP NA NA +MJ001810 2-Cyclohexylethylamine; N-Me C9H19N 141.151749 NA MeJP NA NA +MJ001811 2-Methyl-6-propylpiperidine C9H19N 141.151749 NA MeJP NA NA +MJ001812 2-Propylpiperidine, N-Me C9H19N 141.151749 NA MeJP NA NA +MJ001813 6-Methyl-5-hepten-2-amine, N-Me C9H19N 141.151749 NA MeJP NA NA +C10159 (+)-N-Methylconiine C9H19N 141.1518 NA KEGG NA NA +8115 peptide derived from sardinelle by-products proteins (Sardinella aurita) GAH 141.558 MH2+ Inhouse_peptide NA peptide +7633 ACE inhibitor from k-CN (fr, 120-122) PAP 141.5705 MH2+ Inhouse_peptide NA peptide +7844 ACE inhibitor HK 141.576 MH2+ Inhouse_peptide NA peptide +MJ001814 Silver(I) chloride AgCl 141.873945 NA MeJP NA NA +MJ001815 1-Bromo-2-chloroethane C2H4BrCl 141.91849 NA MeJP NA NA +MetaCyc00818 x-pyrophosphate-group [] O5P2 141.922096 NA metacyc NA NA +C01478 Arsenic acid H3AsO4 141.9247 NA KEGG NA NA +HMDB12190 Arsenate AsH3O4 141.924728 NA HMDB2010 NA NA +MJ001816 Iodomethane CH3I 141.927943 NA MeJP NA NA +MJ001817 Sodium sulfate Na2O4S 141.931268 NA MeJP NA NA +MetaCyc00819 Na2SO4 [] O4NA2S1 141.931269 NA metacyc NA NA +C13199 Sodium sulfate SO4 141.9313 NA KEGG NA NA +C13200 Transferred to D01733 SO4 141.9313 NA KEGG NA NA +C13201 Transferred to D01734 SO4 141.9313 NA KEGG NA NA +C13202 Transferred to D01735 SO4 141.9313 NA KEGG NA NA +C13203 Transferred to D01736 SO4 141.9313 NA KEGG NA NA +C13204 Transferred to D01737 SO4 141.9313 NA KEGG NA NA +C13205 Transferred to D01738 SO4 141.9313 NA KEGG NA NA +C13206 Transferred to D01739 SO4 141.9313 NA KEGG NA NA +C13207 Transferred to D01740 SO4 141.9313 NA KEGG NA NA +C13208 Transferred to D01741 SO4 141.9313 NA KEGG NA NA +C13209 Transferred to D01742 SO4 141.9313 NA KEGG NA NA +C13210 Transferred to D01743 SO4 141.9313 NA KEGG NA NA +C13211 Transferred to D01744 SO4 141.9313 NA KEGG NA NA +C13212 Transferred to D01745 SO4 141.9313 NA KEGG NA NA +C13213 Transferred to D01746 SO4 141.9313 NA KEGG NA NA +C13214 Transferred to D01747 SO4 141.9313 NA KEGG NA NA +C13215 Transferred to D01748 SO4 141.9313 NA KEGG NA NA +C13216 Transferred to D01749 SO4 141.9313 NA KEGG NA NA +C13217 Transferred to D01750 SO4 141.9313 NA KEGG NA NA +C13218 Transferred to D01751 SO4 141.9313 NA KEGG NA NA +C13219 Transferred to D01752 SO4 141.9313 NA KEGG NA NA +C13220 Transferred to D01753 SO4 141.9313 NA KEGG NA NA +C13221 Transferred to D01754 SO4 141.9313 NA KEGG NA NA +C13222 Transferred to D01755 SO4 141.9313 NA KEGG NA NA +C13223 Transferred to D01756 SO4 141.9313 NA KEGG NA NA +C13224 Transferred to D01757 SO4 141.9313 NA KEGG NA NA +C13225 Transferred to D01758 SO4 141.9313 NA KEGG NA NA +C13226 Transferred to D01759 SO4 141.9313 NA KEGG NA NA +C13227 Transferred to D01760 SO4 141.9313 NA KEGG NA NA +C13228 Transferred to D01761 SO4 141.9313 NA KEGG NA NA +C13229 Transferred to D01762 SO4 141.9313 NA KEGG NA NA +C13230 Transferred to D01763 SO4 141.9313 NA KEGG NA NA +C13231 Transferred to D01764 SO4 141.9313 NA KEGG NA NA +C13232 Transferred to D01765 SO4 141.9313 NA KEGG NA NA +C13233 Transferred to D01766 SO4 141.9313 NA KEGG NA NA +C13234 Transferred to D01767 SO4 141.9313 NA KEGG NA NA +MJ001818 Methyl methylthio selenide C2H6SSe 141.935542 NA MeJP NA NA +MJ001819 Disodium phosphate HNa2O4P 141.940784 NA MeJP NA NA +C13558 Dibasic sodium phosphate HPO4 141.9408 NA KEGG NA NA +C13559 Transferred to D02052 HPO4 141.9408 NA KEGG NA NA +C13560 Transferred to D02053 HPO4 141.9408 NA KEGG NA NA +C13561 Transferred to D02054 HPO4 141.9408 NA KEGG NA NA +C13562 Transferred to D02055 HPO4 141.9408 NA KEGG NA NA +C13563 Transferred to D02056 HPO4 141.9408 NA KEGG NA NA +C13565 Transferred to D02058 HPO4 141.9408 NA KEGG NA NA +C13566 Transferred to D02059 HPO4 141.9408 NA KEGG NA NA +C13567 Transferred to D02060 HPO4 141.9408 NA KEGG NA NA +C13568 Transferred to D02061 HPO4 141.9408 NA KEGG NA NA +C03576 2-Mercaptoethanesulfonate C2H6O3S2 141.9758 NA KEGG NA NA +HMDB03745 Mesna C2H6O3S2 141.97583 NA HMDB2010 NA NA +MJ001820 2-Mercaptoethanesulfonate C2H6O3S2 141.975835 NA MeJP NA NA +MJ001821 2-Mercaptoethanesulfonic acid C2H6O3S2 141.975835 NA MeJP NA NA +MetaCyc00820 coenzyme M [CoM;2-mercaptoethanesulfonate;H-S-CoM;] C2H6O3S2 141.975835 NA metacyc NA NA +HMDB03745 Mesna C2H6O3S2 141.97585 http://www.hmdb.ca/metabolites/HMDB03745 HMDB NA NA +HMDB03745 Mesna C2H6O3S2 141.97585 HMDB03745 PFEM_hmdb_metabocards_official NA NA +C14688 Bis(2-chloroethyl)ether C4H8Cl2O 141.9952 NA KEGG NA NA +HMDB02818 Alloxan C4H2N2O4 142.00145 NA HMDB2010 NA NA +MJ001822 2,4,5,6(1H,3H)-Pyrimidinetetrone C4H2N2O4 142.001456 NA MeJP NA NA +MetaCyc00821 alloxan [2,4,5,6(1H,3H)-pyrimidinetetrone;5,6-dioxouracil;2,4,5,6-tetraoxohexahydropyrimidine;] C4H2N2O4 142.001457 11/03/2244 metacyc NA NA +HMDB02818 Alloxan C4H2N2O4 142.00146 http://www.hmdb.ca/metabolites/HMDB02818 HMDB NA NA +HMDB02818 Alloxan C4H2N2O4 142.00146 HMDB02818 PFEM_hmdb_metabocards_official NA NA +CJneg0112 Glyceric acid [(M+Cl)]- C3H6ClO4 142.003825 C18rt(min)=0.92 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0112 Glyceric acid [(M+Cl)]- C3H6ClO4 142.003825 C18rt(min)=0.92 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C02595 Thien-2-ylacetate C6H6O2S 142.0089 NA KEGG NA NA +C03359 4-Chloro-2-methylphenol C7H7ClO 142.0185 NA KEGG NA NA +C14331 4-Chloro-m-cresol C7H7ClO 142.0185 NA KEGG NA NA +C15220 2-Chloro-4-methylphenol C7H7ClO 142.0185 NA KEGG NA NA +MJ001823 4-Chloro-3-methylphenol C7H7ClO 142.018542 NA MeJP NA NA +MJ001824 7-Chloro-2,3-heptadien-5-yn-1-ol C7H7ClO 142.018542 NA MeJP NA NA +MJ001825 4-Hydroxy-2-mercapto-6-methylpyrimidine C5H6N2OS 142.020083 NA MeJP NA NA +C00682 2-Hydroxymuconate semialdehyde C6H6O4 142.0266 NA KEGG NA NA +C02480 cis,cis-Muconate C6H6O4 142.0266 NA KEGG NA NA +C03586 2-Oxo-2,3-dihydrofuran-5-acetate C6H6O4 142.0266 NA KEGG NA NA +C03587 3beta-Hydroxysterol ester C18H27O2R 142.0266 NA KEGG NA NA +C03647 cis,trans-Hexadienedioate C6H6O4 142.0266 NA KEGG NA NA +C03743 1,2,3,5-Tetrahydroxybenzene C6H6O4 142.0266 NA KEGG NA NA +C04105 2,5-Dihydro-5-oxofuran-2-acetate C6H6O4 142.0266 NA KEGG NA NA +C06603 cis,trans-4-Hydroxymuconic semialdehyde C6H6O4 142.0266 NA KEGG NA NA +C14516 Kojic acid C6H6O4 142.0266 NA KEGG NA NA +C14610 (S)-5-Oxo-2,5-dihydrofuran-2-acetate C6H6O4 142.0266 NA KEGG NA NA +MJ001826 2,5-Dihydro-4-methyl-5-oxo-3-furancarboxylic acid C6H6O4 142.026608 NA MeJP NA NA +MJ001827 2-Hydroxy-2-hydroxymethyl-4-cyclopentene-1,3-dione C6H6O4 142.026608 NA MeJP NA NA +MJ001828 3,5-Dihydroxy-2-methyl-4H-pyran-4-one C6H6O4 142.026608 NA MeJP NA NA +MJ001829 3,5-Dihydroxy-4H-pyran-4-one; Mono-Me ether C6H6O4 142.026608 NA MeJP NA NA +MJ001830 3-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one C6H6O4 142.026608 NA MeJP NA NA +MJ001831 4,5-Dihydroxy-6-methyl-2H-pyran-2-one C6H6O4 142.026608 NA MeJP NA NA +MJ001832 4-Hydroxy-6-hydroxymethyl-2H-pyran-2-one C6H6O4 142.026608 NA MeJP NA NA +MJ001833 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one C6H6O4 142.026608 NA MeJP NA NA +MJ001834 5-Hydroxymethyl-2-furancarboxylic acid C6H6O4 142.026608 NA MeJP NA NA +MJ001835 2,5-Dihydro-5-oxofuran-2-acetate C6H6O4 142.026608 NA MeJP NA NA +MJ001836 2-Oxo-2,3-dihydrofuran-5-acetate C6H6O4 142.026608 NA MeJP NA NA +MJ001837 cis,cis-Muconate C6H6O4 142.026608 NA MeJP NA NA +MJ001838 cis,trans-4-Hydroxymuconic semialdehyde C6H6O4 142.026608 NA MeJP NA NA +MJ001839 2-Hydroxymuconate semialdehyde C6H6O4 142.026608 NA MeJP NA NA +MetaCyc00822 2-hydroxymuconate semialdehyde [2-hydroxymuconic semialdehyde;] C6H6O4 142.026609 NA metacyc NA NA +MetaCyc00823 2,5-dihydro-5-oxofuran-2-acetate [(+)-4-Hydroxy-4-carboxymethylisocrotonolactone;2-Oxo-2,5-dihydrofuran-5-acetate;Muconolactone;5-oxo-2,5-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone;(S)-5-oxo-2,5-dihydrofuran-2-acetate;] C6H6O4 142.026609 6666-46-2 metacyc NA NA +MetaCyc00824 cis,cis-muconate [cis,cis-hexadienedioate;] C6H6O4 142.026609 1119-72-8 metacyc NA NA +MetaCyc00825 4-hydroxymuconic semialdehyde [cis,trans-4-hydroxymuconic semialdehyde;] C6H6O4 142.026609 NA metacyc NA NA +MetaCyc00826 β-ketoadipate-enol-lactone [5-oxo-4,5-dihydrofuran-2-acetate;4,5-dihydro-5-oxofuran-2-acetate;2-oxo-2,3-dihydrofuran-5-acetate;2,3-dihydro-2-oxofuran-5-acetate;β-ketoadipate-enol-lactone;3-oxoadipate-enol-lactone;] C6H6O4 142.026609 NA metacyc NA NA +MetaCyc00827 1,2,3,5-tetrahydroxybenzene [] C6H6O4 142.026609 634-94-6 metacyc NA NA +HMDB02349 trans-trans-Muconic acid C6H6O4 142.02661 http://www.hmdb.ca/metabolites/HMDB02349 PFEM_hmdb_metabocards_urine NA urine +HMDB02349 trans-trans-Muconic acid C6H6O4 142.02661 http://www.hmdb.ca/metabolites/HMDB02349 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02349 trans-trans-Muconic acid C6H6O4 142.02661 http://www.hmdb.ca/metabolites/HMDB02349 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02349 trans-trans-Muconic acid C6H6O4 142.02661 http://www.hmdb.ca/metabolites/HMDB02349 HMDB NA NA +HMDB02432 Sumiki's acid C6H6O4 142.02661 http://www.hmdb.ca/metabolites/HMDB02432 HMDB NA NA +HMDB06331 cis,cis-Muconic acid C6H6O4 142.02661 http://www.hmdb.ca/metabolites/HMDB06331 HMDB NA NA +HMDB02349 trans-trans-Muconic acid C6H6O4 142.02661 HMDB02349 PFEM_hmdb_metabocards_official NA NA +HMDB02432 Sumiki's acid C6H6O4 142.02661 HMDB02432 PFEM_hmdb_metabocards_official NA NA +HMDB06331 cis,cis-Muconic acid C6H6O4 142.02661 HMDB06331 PFEM_hmdb_metabocards_official NA NA +HMDB02349 trans-trans-Muconic acid C6H6O4 142.026611 NA HMDB2010 NA NA +HMDB02432 Sumiki's acid C6H6O4 142.026611 NA HMDB2010 NA NA +HMDB06331 cis,cis-Muconic acid C6H6O4 142.026611 NA HMDB2010 NA NA +EUR061 5-hydroxy-methyluracil C5H6N2O3 142.0378 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR061 5-hydroxy-methyluracil C5H6N2O3 142.0378 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR061 5-hydroxy-methyluracil C5H6N2O3 142.0378 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR061 5-hydroxy-methyluracil C5H6N2O3 142.0378 Wishlist Inhousejuil11 NA NA +C03088 5-Hydroxymethyluracil C5H6N2O3 142.0378 NA KEGG NA NA +C05133 4-Imidazolone-5-acetate C5H6N2O3 142.0378 NA KEGG NA NA +C05281 5-Methylbarbiturate C5H6N2O3 142.0378 NA KEGG NA NA +HMDB00469 5-Hydroxymethyluracil C5H6N2O3 142.03784 http://www.hmdb.ca/metabolites/HMDB00469 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00469 5-Hydroxymethyluracil C5H6N2O3 142.03784 http://www.hmdb.ca/metabolites/HMDB00469 HMDB NA NA +HMDB00469 5-Hydroxymethyluracil C5H6N2O3 142.03784 http://www.hmdb.ca/metabolites/HMDB00469 PFEM_hmdb_metabocards_blood NA blood +HMDB00469 5-Hydroxymethyluracil C5H6N2O3 142.03784 HMDB00469 PFEM_hmdb_metabocards_official NA NA +HMDB00469 5-Hydroxymethyluracil C5H6N2O3 142.037842 NA HMDB2010 NA NA +MJ001840 5-Methyl-2,4,6(1H,3H,5H)-pyrimidinetrione C5H6N2O3 142.037842 NA MeJP NA NA +MJ001841 4-Imidazolone-5-acetate C5H6N2O3 142.037842 NA MeJP NA NA +MetaCyc00828 5-methyl-barbiturate [] C5H6N2O3 142.037842 NA metacyc NA NA +MetaCyc00829 5-hydroxy-4-imidazoleacetate [(5-hydroxyimidazole)-4-acetate;] C5H6N2O3 142.037842 NA metacyc NA NA +MetaCyc00830 2-hydroxy-4-carboxypyrimidine [] C5H6N2O3 142.037842 NA metacyc NA NA +EUR061 5-hydroxy-methyluracil C5H6N2O3 142.037843 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR061 5-hydroxy-methyluracil C5H6N2O3 142.037843 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR061 5-hydroxy-methyluracil C5H6N2O3 142.037843 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR061 5-hydroxy-methyluracil C5H6N2O3 142.037843 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR061 5-hydroxy-methyluracil C5H6N2O3 142.037843 Wishlist HMDB NA NA +EUR061 5-hydroxy-methyluracil C5H6N2O3 142.037843 Wishlist Inhouse_PFEM NA NA +EUR061 5-hydroxy-methyluracil C5H6N2O3 142.037843 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR061 5-hydroxy-methyluracil C5H6N2O3 142.037843 Wishlist PFEM_hmdb_metabocards_official NA NA +CJneg0113 5-hydroxymethyluracil [(M-H)]- C5H5N2O3 142.038425 C18rt(min)=1.05 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0113 5-hydroxymethyluracil [(M-H)]- C5H5N2O3 142.038425 C18rt(min)=1.05 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +EUR268 5hydroxymethyluracil F1 NA 142.040975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR268 5hydroxymethyluracil F1 NA 142.040975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR268 5hydroxymethyluracil F1 NA 142.040975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR268 5hydroxymethyluracil F1 NA 142.040975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR268 5hydroxymethyluracil F1 NA 142.040975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR268 5hydroxymethyluracil F1 NA 142.040975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR268 5hydroxymethyluracil F1 NA 142.040975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR268 5hydroxyméthyluracil F1 NA 142.040975 standards wishlist analysés sur QTOF HMDB NA NA +EUR268 5hydroxymethyluracil F1 NA 142.040975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR268 5hydroxymethyluracil F1 NA 142.040975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR268 5hydroxymethyluracil F1 NA 142.040975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR268 5hydroxymethyluracil F1 NA 142.040975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB06215 naphthalene epoxide C10H6O 142.04185 http://www.hmdb.ca/metabolites/HMDB06215 HMDB NA NA +HMDB06215 naphthalene epoxide C10H6O 142.04185 HMDB06215 PFEM_hmdb_metabocards_official NA NA +MJ001842 1-Decene-4,6,8-triyn-3-one C10H6O 142.041864 NA MeJP NA NA +MJ001843 2-Decene-4,6,8-triyn-1-al C10H6O 142.041864 NA MeJP NA NA +MJ001844 4,5-Diamino-2,6-dihydroxypyrimidine C4H6N4O2 142.049075 NA MeJP NA NA +MetaCyc00831 2,5,6-trihydroxy-3-methylpyridine [5-methylpyridine-2,3,6-triol;] C6H8N1O3 142.050418 NA metacyc NA NA +MJ001845 1H-Indole-3-carboxylic acid; Nitrile C9H6N2 142.053098 NA MeJP NA NA +JH108 N-acetyl-L-glutamine [M+H-HCOOH]+ NA 142.0583 1.64 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH108 N-acetyl-L-glutamine [M+H-HCOOH]+ NA 142.0583 1.64 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH108 N-acetyl-L-glutamine [M+H-HCOOH]+ NA 142.0583 1.64 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH108 N-acetyl-L-glutamine [M+H-HCOOH]+ NA 142.0583 1.64 Inhousejuil11 NA NA +CJpos0256 Mono-methyl-adipate [(M+H)-(H2O)]+ C7H11O3 142.062475 C18rt(min)=6.27 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0257 3,3-Dimethylglutaric acid [(M+H)-(H2O)]+ (13C) C7H11O3 142.062475 C18rt(min)=5.8 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0258 3-hydroxybenzyl alcohol [(M+H)+(H2O)]+ C7H11O3 142.062475 C18rt(min)=5.26 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0259 Pimelic acid 3-methyladipic acid [(M+H)-(H2O)]+ C7H11O3 142.062475 C18rt(min)=5.77 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0256 Mono-methyl-adipate [(M+H)-(H2O)]+ C7H11O3 142.062475 C18rt(min)=6.27 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0257 3,3-Dimethylglutaric acid [(M+H)-(H2O)]+ (13C) C7H11O3 142.062475 C18rt(min)=5.8 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0258 3-hydroxybenzyl alcohol [(M+H)+(H2O)]+ C7H11O3 142.062475 C18rt(min)=5.26 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0259 Pimelic acid § 3-methyladipic acid [(M+H)-(H2O)]+ C7H11O3 142.062475 C18rt(min)=5.77 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ001846 2,3-Dihydro-2-(hydroxymethyl)-6-methyl-4H-pyran-4-one C7H10O3 142.062994 NA MeJP NA NA +MJ001847 2,3-Dihydro-6-(hydroxymethyl)-2-methyl-4H-pyran-4-one C7H10O3 142.062994 NA MeJP NA NA +MJ001848 2,5-Furandimethanol; Mono-Me ether C7H10O3 142.062994 NA MeJP NA NA +MJ001849 2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone C7H10O3 142.062994 NA MeJP NA NA +MJ001850 2-Methyl-3-oxocyclopentanecarboxylic acid C7H10O3 142.062994 NA MeJP NA NA +MJ001851 4-Hydroxy-2,5-dimethyl-3(2H)-furanone, Me ether C7H10O3 142.062994 NA MeJP NA NA +MJ001852 5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone C7H10O3 142.062994 NA MeJP NA NA +MJ001853 6-Hydroxy-1,4-cycloheptanedione C7H10O3 142.062994 NA MeJP NA NA +MJ001854 Epoformin; 2?-Alcohol, 5-epimer C7H10O3 142.062994 NA MeJP NA NA +MJ001855 Epoformin; 3,4-Dihydro(3S-) C7H10O3 142.062994 NA MeJP NA NA +MJ001856 Tetrahydro-4-hydroxy-4-vinyl-2H-pyran-2-one C7H10O3 142.062994 NA MeJP NA NA +MetaCyc00832 4-oxocyclohexanecarboxylate [4-oxocyclohexane-1-carboxylic acid;4-carboxycyclohexanone;] C7H10O3 142.062994 NA metacyc NA NA +C03767 4-Oxocyclohexanecarboxylate C7H10O3 142.063 NA KEGG NA NA +C03768 4-Substituted phenylacetate C8H7O2R 142.063 NA KEGG NA NA +CJneg0114 2,2-dimethylglutaric acid [(M-H)-(H2O)]- C7H9O3 142.063525 C18rt(min)=6.04 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0115 3-hydroxybenzyl alcohol [(M-H)+(H2O)]- C7H9O3 142.063525 C18rt(min)=5.26 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0116 Hydroxybenzyl alcohol isomer [(M-H)+(H2O)]- C7H9O3 142.063525 C18rt(min)=6.19 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0114 2,2-dimethylglutaric acid [(M-H)-(H2O)]- C7H9O3 142.063525 C18rt(min)=6.04 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0115 3-hydroxybenzyl alcohol [(M-H)+(H2O)]- C7H9O3 142.063525 C18rt(min)=5.26 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0116 Hydroxybenzyl alcohol isomer [(M-H)+(H2O)]- C7H9O3 142.063525 C18rt(min)=6.19 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +C06231 Ectoine C6H10N2O2 142.0742 NA KEGG NA NA +C06232 Molybdate C6H10N2O2 142.0742 NA KEGG NA NA +MJ001857 1,4,5,6-Tetrahydro-2-methyl-4(6)-pyrimidinecarboxylic acid C6H10N2O2 142.074227 NA MeJP NA NA +MJ001858 2-Oxo-1-pyrrolidineacetic acid; Amide C6H10N2O2 142.074227 NA MeJP NA NA +MJ001859 Pyrostatin A; 3-Deoxy C6H10N2O2 142.074227 NA MeJP NA NA +MetaCyc00833 ectoine [1,4,5,6-tetrahydro-2-methyl-4-pyrimidine carboxylic acid;] C6H10N2O2 142.074228 96702-03-3 metacyc NA NA +MJ001860 1,3,9-Undecatriene-5,7-diyne C11H10 142.07825 NA MeJP NA NA +MJ001861 1-Undecene-5,7,9-triyne C11H10 142.07825 NA MeJP NA NA +C14082 1-Methylnaphthalene C11H10 142.0783 NA KEGG NA NA +C14098 2-Methylnaphthalene C11H10 142.0783 NA KEGG NA NA +MJ001862 1,3,3-Trimethyl-2,7-dioxabicyclo[2.2.1]heptane C8H14O2 142.099379 NA MeJP NA NA +MJ001863 1,5-Dimethyl-6,8-dioxabicyclo[3.2.1]octane C8H14O2 142.099379 NA MeJP NA NA +MJ001864 1-Oxaspiro[3.5]nonan-7-ol C8H14O2 142.099379 NA MeJP NA NA +MJ001865 3-Hexen-1-ol, Ac C8H14O2 142.099379 NA MeJP NA NA +MJ001866 3-Hexenoic acid, Et ester C8H14O2 142.099379 NA MeJP NA NA +MJ001867 3-Methyl-2-heptenoic acid C8H14O2 142.099379 NA MeJP NA NA +MJ001868 3-Methyl-3-heptenoic acid C8H14O2 142.099379 NA MeJP NA NA +MJ001869 3-Methyleneheptanoic acid C8H14O2 142.099379 NA MeJP NA NA +MJ001870 4-(1-Propenyl)-1,2-cyclopentanediol C8H14O2 142.099379 NA MeJP NA NA +MJ001871 7,7-Dimethyl-6,8-dioxabicyclo[3.2.1]octane C8H14O2 142.099379 NA MeJP NA NA +MJ001872 Tetrahydro-3,5,6-trimethyl-2H-pyran-2-one C8H14O2 142.099379 NA MeJP NA NA +HMDB00392 2-Octenoic acid C8H14O2 142.09938 http://www.hmdb.ca/metabolites/HMDB00392 HMDB NA NA +HMDB01568 trans-2-Octenoic acid C8H14O2 142.09938 http://www.hmdb.ca/metabolites/HMDB01568 HMDB NA NA +HMDB00392 2-Octenoic acid C8H14O2 142.09938 HMDB00392 PFEM_hmdb_metabocards_official NA NA +HMDB01568 trans-2-Octenoic acid C8H14O2 142.09938 HMDB01568 PFEM_hmdb_metabocards_official NA NA +HMDB00392 2-Octenoic acid C8H14O2 142.09938 NA HMDB2010 NA NA +HMDB01568 trans-2-Octenoic acid C8H14O2 142.09938 NA HMDB2010 NA NA +C12104 Cycloheptanecarboxylic acid C8H14O2 142.0994 NA KEGG NA NA +C12297 Cyclohexyl acetate C8H14O2 142.0994 NA KEGG NA NA +C16648 2-n-Propyl-4-pentenoic acid C8H14O2 142.0994 NA KEGG NA NA +C16653 2-n-Propyl-2-pentenoic acid C8H14O2 142.0994 NA KEGG NA NA +C16654 2-n-Propyl-3-pentenoic acid C8H14O2 142.0994 NA KEGG NA NA +CJpos0260 Aminobutyric acid (and isomers) [(2M+H)-(H2O)-(HCOOH)]+ C7H15ON2 142.110075 C18rt(min)=0.9 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0260 Aminobutyric acid (and isomers) [(2M+H)-(H2O)-(HCOOH)]+ C7H15ON2 142.110075 C18rt(min)=0.9 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C11458 Crotono-betaine C8H16NO 142.1232 NA KEGG NA NA +MJ001873 1-Nonen-3-ol C9H18O 142.135765 NA MeJP NA NA +MJ001874 2,6-Dimethyl-6-hepten-1-ol C9H18O 142.135765 NA MeJP NA NA +MJ001875 2-Nonanone C9H18O 142.135765 NA MeJP NA NA +MJ001876 3-Nonanone C9H18O 142.135765 NA MeJP NA NA +MJ001877 3-Nonen-1-ol C9H18O 142.135765 NA MeJP NA NA +MJ001878 4-Nonanone C9H18O 142.135765 NA MeJP NA NA +MJ001879 6-Methyl-3-octanone C9H18O 142.135765 NA MeJP NA NA +MJ001880 6-Nonen-2-ol C9H18O 142.135765 NA MeJP NA NA +MJ001881 Nonanal C9H18O 142.135765 NA MeJP NA NA +MJ001882 1-Pentene-1,5-diamine, N,N,N-Tri-Me C8H19N2(+) 142.146998 NA MeJP NA NA +MJ001883 Decane C10H22 142.17215 NA MeJP NA NA +7751 ACE inhibitor from shark meat hydrolysate CF 142.534 MH2+ Inhouse_peptide NA peptide +3094 gliadin 1 exorphin PLG 142.5785 MH2+ Inhouse_peptide NA peptide +3370 ACE inhibitor from beta-CN (177-179) AVP 142.5785 MH2+ Inhouse_peptide NA peptide +3521 ACE inhibitor VAP 142.5785 MH2+ Inhouse_peptide NA peptide +7506 ACE inhibitor from Alaskan pollack skin GPL 142.5785 MH2+ Inhouse_peptide NA peptide +7507 ACE inhibitor from Alaskan pollack skin PGL 142.5785 MH2+ Inhouse_peptide NA peptide +7508 ACE inhibitor from Alaskan pollack skin LGP 142.5785 MH2+ Inhouse_peptide NA peptide +7509 ACE inhibitor from Alaskan pollack skin GLP 142.5785 MH2+ Inhouse_peptide NA peptide +7510 ACE inhibitor from Alaskan pollack skin PLG 142.5785 MH2+ Inhouse_peptide NA peptide +7511 ACE inhibitor from Alaskan pollack skin LPG 142.5785 MH2+ Inhouse_peptide NA peptide +44 Skin gelatin GPL 142.579 MH2+ Inhouse_peptide NA peptide +MJ001884 2-Methyl-5-thiazolecarboxylic acid C5H5NO2S 143.004099 NA MeJP NA NA +MJ001885 4-Methyl-5-thiazolecarboxylic acid C5H5NO2S 143.004099 NA MeJP NA NA +MJ001886 5-Oxo-2(5H)-isoxazoleacetic acid C5H5NO4 143.021857 NA MeJP NA NA +JH114 Kynurenic acid [M+H-HCOOH]+ NA 143.03658 12.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH114 Kynurenic acid [M+H-HCOOH]+ NA 143.03658 12.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH114 Kynurenic acid [M+H-HCOOH]+ NA 143.03658 12.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH114 Kynurenic acid [M+H-HCOOH]+ NA 143.03658 12.5 Inhousejuil11 NA NA +MJ001887 5-(2-Hydroxyethyl)-4-methylthiazole C6H9NOS 143.040484 NA MeJP NA NA +MJ001888 3-(Methoxymethylene)-2-pyrrolidinethione C6H9NOS 143.040484 NA MeJP NA NA +MJ001889 5-(2-Propenyl)-2-oxazolidinethione C6H9NOS 143.040484 NA MeJP NA NA +MetaCyc00834 4-methyl-5-(β-hydroxyethyl)thiazole [4-methyl-5-(2-hydroxyethyl)-thiazole;THZ;5-(2-Hydroxyethyl)-4-methylthiazole;HET;] C6H9N1O1S1 143.040485 137-00-8 metacyc NA NA +C04294 5-(2-Hydroxyethyl)-4-methylthiazole C6H9NOS 143.0405 NA KEGG NA NA +C13738 Tet-glycine C3H5N5O2 143.0443 NA KEGG NA NA +EUR435 Glucosamine F3 F3 143.055875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR435 Glucosamine F3 NA 143.055875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR435 Glucosamine F3 F3 143.055875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR435 Glucosamine F3 NA 143.055875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR435 Glucosamine F3 F3 143.055875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR435 Glucosamine F3 NA 143.055875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR435 Glucosamine F3 F3 143.055875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR435 Glucosamine F3 F3 143.055875 standards wishlist analysés sur QTOF HMDB NA NA +EUR435 Glucosamine F3 F3 143.055875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR435 Glucosamine F3 NA 143.055875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR435 Glucosamine F3 F3 143.055875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR435 Glucosamine F3 F3 143.055875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +2755 peptide regulating the stomach mucosal membrane activity GPGG 143.0575 MH2+ Inhouse_peptide NA peptide +3458 Prolyl endopeptidase inhibitor GPGG 143.0575 MH2+ Inhouse_peptide NA peptide +3462 NA GPGG 143.0575 MH2+ Inhouse_peptide NA peptide +CJpos0261 N2-acetylaminoadipic acid [(M+H)-(C2H4O2)]+ C6H10NO3 143.057675 C18rt(min)=4.05 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0262 2-aminoadipic acid [(M+H)-(H2O)]+ C6H10NO3 143.057675 C18rt(min)=1.05 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0261 N2-acetylaminoadipic acid [(M+H)-(C2H4O2)]+ C6H10NO3 143.057675 C18rt(min)=4.05 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0262 2-aminoadipic acid [(M+H)-(H2O)]+ C6H10NO3 143.057675 C18rt(min)=1.05 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C17357 2-Hydroxymethylclavam C6H9NO3 143.0582 NA KEGG NA NA +HMDB00894 Vinylacetylglycine C6H9NO3 143.058243 NA HMDB2010 NA NA +MJ001890 1,2,3,6-Tetrahydro-3-hydroxy-2-pyridinecarboxylic acid C6H9NO3 143.058243 NA MeJP NA NA +MJ001891 2-Amino-3-formyl-3-pentenoic acid C6H9NO3 143.058243 NA MeJP NA NA +MJ001892 2-Amino-3-hydroxy-4-hexynoic acid C6H9NO3 143.058243 NA MeJP NA NA +MJ001893 2-Amino-6-hydroxy-4-hexynoic acid C6H9NO3 143.058243 NA MeJP NA NA +MJ001894 2-Hydroxymethylclavam C6H9NO3 143.058243 NA MeJP NA NA +MJ001895 3,5,5-Trimethyl-2,4-oxazolidinedione C6H9NO3 143.058243 NA MeJP NA NA +MJ001896 3-Amino-4-methyl-2-oxetanone, N-Ac C6H9NO3 143.058243 NA MeJP NA NA +MJ001897 4-Oxo-2-piperidinecarboxylic acid C6H9NO3 143.058243 NA MeJP NA NA +MJ001898 5-Methyl-4-oxo-2-pyrrolidinecarboxylic acid C6H9NO3 143.058243 NA MeJP NA NA +MJ001899 7-Oxa-3-azabicyclo[4.1.0]heptane-6-carboxylic acid C6H9NO3 143.058243 NA MeJP NA NA +CJneg0117 N2-acetylaminoadipic acid [(M-H)-(C2H4O2)]- C6H8NO3 143.058825 C18rt(min)=4.05 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0117 N2-acetylaminoadipic acid [(M-H)-(C2H4O2)]- C6H8NO3 143.058825 C18rt(min)=4.05 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0263 3,3-Dimethylglutaric acid [(M+H)-(H2O)]+ (13C) C613CH11O3 143.065775 C18rt(min)=5.8 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0263 3,3-Dimethylglutaric acid [(M+H)-(H2O)]+ (13C) C613CH11O3 143.065775 C18rt(min)=5.8 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0264 Methylcytosine isomers [(M+H)+(H2O)]+ C5H10N3O2 143.068975 C18rt(min)=1 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0264 Methylcytosine isomers [(M+H)+(H2O)]+ C5H10N3O2 143.068975 C18rt(min)=1 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ001900 2-Amino-4,5-dihydro-1H-imidazole-4-acetic acid C5H9N3O2 143.069476 NA MeJP NA NA +CJpos0265 Tryptamine [(M+H)-(NH3)]+ C10H10N 143.072975 C18rt(min)=5.58 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0265 Tryptamine [(M+H)-(NH3)]+ C10H10N 143.072975 C18rt(min)=5.58 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ001901 2-Methylquinoline C10H9N 143.073499 NA MeJP NA NA +MetaCyc00835 quinaldine [2-methylquinoline;] C10H9N1 143.073499 NA metacyc NA NA +MetaCyc00836 3-methylquinoline [3-methyl-1-benzazine;β-methylquinoline;] C10H9N1 143.073499 612-58-8 metacyc NA NA +C02227 2-Naphthylamine C10H9N 143.0735 NA KEGG NA NA +C14790 1-Naphthylamine C10H9N 143.0735 NA KEGG NA NA +MJ001902 1-Isothiocyanato-4-methylpentane C7H13NS 143.07687 NA MeJP NA NA +MJ001903 1-Isothiocyanatohexane C7H13NS 143.07687 NA MeJP NA NA +MJ001904 4,5-Dihydro-2-(1-methylpropyl)thiazole C7H13NS 143.07687 NA MeJP NA NA +CJpos0266 Valeric acid isomer [(M+H)+(CH3CN)]+ C7H14NO2 143.094075 C18rt(min)=5.14 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0267 Stachydrine (Proline betaine) [(M+H)]+ C7H14NO2 143.094075 C18rt(min)=0.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0266 Valeric acid isomer [(M+H)+(CH3CN)]+ C7H14NO2 143.094075 C18rt(min)=5.14 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0267 Stachydrine (Proline betaine) [(M+H)]+ C7H14NO2 143.094075 C18rt(min)=0.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +C04114 4-(Trimethylammonio)but-2-enoate C7H13NO2 143.0946 NA KEGG NA NA +C10172 Stachydrine C7H13NO2 143.0946 NA KEGG NA NA +MJ001905 2-Amino-3-cyclopropylbutanoic acid C7H13NO2 143.094628 NA MeJP NA NA +MJ001906 2-Amino-3-methylenehexanoic acid C7H13NO2 143.094628 NA MeJP NA NA +MJ001907 2-Amino-3-pentanone, N-Ac C7H13NO2 143.094628 NA MeJP NA NA +MJ001908 2-Amino-4-methyl-4-hexenoic acid C7H13NO2 143.094628 NA MeJP NA NA +MJ001909 2-Amino-4-methyl-5-hexenoic acid C7H13NO2 143.094628 NA MeJP NA NA +MJ001910 2-Amino-4-methylenehexanoic acid C7H13NO2 143.094628 NA MeJP NA NA +MJ001911 2-Amino-5-methyl-4-hexenoic acid C7H13NO2 143.094628 NA MeJP NA NA +MJ001912 2-Amino-5-methyl-5-hexenoic acid C7H13NO2 143.094628 NA MeJP NA NA +MJ001913 3-Pyrrolidinecarboxylic acid; Dimethylbetaine C7H13NO2 143.094628 NA MeJP NA NA +MJ001914 4-tert-Butyl-2-oxazolidinone C7H13NO2 143.094628 NA MeJP NA NA +MJ001915 8-Azabicyclo[3.2.1]octane-2,3-diol C7H13NO2 143.094628 NA MeJP NA NA +MJ001916 8-Azabicyclo[3.2.1]octane-2,6-diol C7H13NO2 143.094628 NA MeJP NA NA +MJ001917 8-Azabicyclo[3.2.1]octane-2,7-diol C7H13NO2 143.094628 NA MeJP NA NA +MJ001918 8-Azabicyclo[3.2.1]octane-3,7-diol C7H13NO2 143.094628 NA MeJP NA NA +MJ001919 Senecio doria Necine base C7H13NO2 143.094628 NA MeJP NA NA +MJ001920 Stachydrine C7H13NO2 143.094628 NA MeJP NA NA +MetaCyc00837 crotono-betaine [4-(trimethylammonio)but-2-enoate;] C7H13N1O2 143.094629 6666-46-2 metacyc NA NA +MetaCyc00838 stachydrine [proline betaine;N,N-dimethyl proline;] C7H13N1O2 143.094629 NA metacyc NA NA +HMDB04827 Proline betaine C7H13NO2 143.094635 NA HMDB2010 NA NA +HMDB04827 Proline betaine C7H13NO2 143.09464 http://www.hmdb.ca/metabolites/HMDB04827 PFEM_hmdb_metabocards_urine NA urine +HMDB04827 Proline betaine C7H13NO2 143.09464 http://www.hmdb.ca/metabolites/HMDB04827 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04827 Proline betaine C7H13NO2 143.09464 http://www.hmdb.ca/metabolites/HMDB04827 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04827 Proline betaine C7H13NO2 143.09464 http://www.hmdb.ca/metabolites/HMDB04827 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04827 Proline betaine C7H13NO2 143.09464 http://www.hmdb.ca/metabolites/HMDB04827 HMDB NA NA +HMDB04827 Proline betaine C7H13NO2 143.09464 ;SYN:H-Ala-Pro-Gly-Pro-Arg-OH; APGPR; N2-[1-[N-(1-L-alanyl-L-prolyl)glycyl]-L-prolyl] L-Arginine; L-alanyl-L-prolylglycyl-L-prolyl-L-ArginineH2Blood Inhouse_peptide NA peptide +HMDB04827 Proline betaine C7H13NO2 143.09464 http://www.hmdb.ca/metabolites/HMDB04827 PFEM_hmdb_metabocards_blood NA blood +HMDB04827 Proline betaine C7H13NO2 143.09464 HMDB04827 PFEM_hmdb_metabocards_official NA NA +MJ001921 (4-Hydroxy-3-methyl-2-butenyl)guanidine C6H13N3O 143.105862 NA MeJP NA NA +C10152 (-)-Hygroline C8H17NO 143.131 NA KEGG NA NA +C10168 Pseudoconhydrine C8H17NO 143.131 NA KEGG NA NA +MJ001922 2-Ethyl-3-methylpentanoic acid; Amide C8H17NO 143.131014 NA MeJP NA NA +MJ001923 2-Propylpentanoic acid; Amide C8H17NO 143.131014 NA MeJP NA NA +MJ001924 6-Propyl-3-piperidinol C8H17NO 143.131014 NA MeJP NA NA +MJ001925 Conhydrine C8H17NO 143.131014 NA MeJP NA NA +MJ001926 Hygroline C8H17NO 143.131014 NA MeJP NA NA +MJ001927 Sedridine C8H17NO 143.131014 NA MeJP NA NA +C15853 Dehydrospermidine C7H17N3 143.1422 NA KEGG NA NA +C15854 N-(4-Aminobutylidene)-[eIF5A-precursor]-lysine C11H20N4O2R2 143.1422 NA KEGG NA NA +C15855 Apelin-13 C11H20N4O2R2 143.1422 NA KEGG NA NA +C15856 Apelin-36 C11H20N4O2R2 143.1422 NA KEGG NA NA +HMDB02089 N-Ribosylhistidine C11H17N3O6 143.5558625 MH2+ Inhouse_peptide NA peptide +3406 ACE inhibitor TAP 143.568 MH2+ Inhouse_peptide NA peptide +7635 ACE inhibitor from k-CN (fr, 51-53) VAV 143.5865 MH2+ Inhouse_peptide NA peptide +3257 beta-lactokinin RL 143.5925 MH2+ Inhouse_peptide NA peptide +3258 beta-lactokinin IR 143.5925 MH2+ Inhouse_peptide NA peptide +8215 Antioxidative peptide IR 143.5925 MH2+ Inhouse_peptide NA peptide +8246 renin inhibitor IR 143.5925 MH2+ Inhouse_peptide NA peptide +8247 CaMPDE inhibitor IR 143.5925 MH2+ Inhouse_peptide NA peptide +HMDB00791 L-Octanoylcarnitine C15H29NO4 143.604828 MH2+ Inhouse_peptide NA peptide +MJ001928 Selenium sulfides; Selenium sulfide (SeS2) S2Se 143.860663 NA MeJP NA NA +MJ001929 Zinc sulfite O3SZn 143.885961 NA MeJP NA NA +MJ001930 Dihydroxyaluminium sodium carbonate CH2AlNaO5 143.961531 NA MeJP NA NA +MetaCyc00839 2-chloroethylphosphonate [2-chloroethylphosphonic acid;2-CEPA;] C2H6O3P1CL1 143.974308 NA metacyc NA NA +C02375 4-Chlorocatechol C6H5ClO2 143.9978 NA KEGG NA NA +C05618 3-Chlorocatechol C6H5ClO2 143.9978 NA KEGG NA NA +C06601 Chlorohydroquinone C6H5ClO2 143.9978 NA KEGG NA NA +MJ001931 3-Chlorocatechol C6H5ClO2 143.997807 NA MeJP NA NA +MJ001932 4-Chlorocatechol C6H5ClO2 143.997807 NA MeJP NA NA +MJ001933 Chlorohydroquinone C6H5ClO2 143.997807 NA MeJP NA NA +MetaCyc00840 chlorohydroquinone [CHQ;] C6H5O2CL1 143.997807 615-67-8 metacyc NA NA +MetaCyc00841 4-chlororesorcinol [] C6H5O2CL1 143.997807 NA metacyc NA NA +MJ001934 Dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione C4H4N2O2S 143.999348 NA MeJP NA NA +MJ001935 3,4-Dihydro-3-vinyl-1,2-dithiin C6H8S2 144.006741 NA MeJP NA NA +JH097 Caffeic acid [M+H-2H2O]+ NA 144.0206 12.21 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH219 Chlorogenic acid [163-H2O]+ NA 144.0206 11.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH097 Caffeic acid [M+H-2H2O]+ NA 144.0206 12.21 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH219 Chlorogenic acid [163-H2O]+ NA 144.0206 11.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH097 Caffeic acid [M+H-2H2O]+ NA 144.0206 12.21 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH219 Chlorogenic acid [163-H2O]+ NA 144.0206 11.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH097 Caffeic acid [M+H-2H2O]+ NA 144.0206 12.21 Inhousejuil11 NA NA +JH219 Chlorogenic acid [163-H2O]+ NA 144.0206 11.5 Inhousejuil11 NA NA +MJ001936 2-Nonene-4,6,8-triynoic acid C9H4O2 144.021129 NA MeJP NA NA +JH125 Ferulic acid [M+H-OCH3-OH] NA 144.02115 13.89 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH125 Ferulic acid [M+H-OCH3-OH] NA 144.02115 13.89 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH125 Ferulic acid [M+H-OCH3-OH] NA 144.02115 13.89 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH125 Ferulic acid [M+H-OCH3-OH] NA 144.02115 13.89 Inhousejuil11 NA NA +MJ001937 Ethchlorovynol C7H9ClO 144.034192 NA MeJP NA NA +C07833 Ethchlorvynol C7H9ClO 144.0342 NA KEGG NA NA +HMDB00393 3-Hexenedioic acid C6H8O4 144.042252 NA HMDB2010 NA NA +HMDB00522 3-Methylglutaconic acid C6H8O4 144.042252 NA HMDB2010 NA NA +HMDB02266 (E)-2-Methylglutaconic acid C6H8O4 144.042252 NA HMDB2010 NA NA +HMDB13311 trans-2-Hexenedioic acid C6H8O4 144.042252 NA HMDB2010 NA NA +MJ001938 2-Methyleneglutarate C6H8O4 144.042258 NA MeJP NA NA +MJ001939 Dimethylmaleate C6H8O4 144.042258 NA MeJP NA NA +MJ001940 Methylitaconate C6H8O4 144.042258 NA MeJP NA NA +MJ001941 1,1-Cyclobutanedicarboxylic acid C6H8O4 144.042258 NA MeJP NA NA +MJ001942 2,3-Dihydro-3,6-dihydroxy-2-methyl-4H-pyran-4-one C6H8O4 144.042258 NA MeJP NA NA +MJ001943 2,3-Dihydro-5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one C6H8O4 144.042258 NA MeJP NA NA +MJ001944 2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one C6H8O4 144.042258 NA MeJP NA NA +MJ001945 3-Methyl-2-pentenedioic acid C6H8O4 144.042258 NA MeJP NA NA +MJ001946 4,5-Dihydroxy-5-hydroxymethyl-2-cyclopenten-1-one C6H8O4 144.042258 NA MeJP NA NA +MJ001947 Tetrahydro-5-oxo-3-furanacetic acid C6H8O4 144.042258 NA MeJP NA NA +MetaCyc00842 triacetate [] C6H8O4 144.042259 2140-49-0 metacyc NA NA +MetaCyc00843 dimethylmaleate [2,3-dimethylmaleic acid;] C6H8O4 144.042259 624-48-6 metacyc NA NA +MetaCyc00844 2-methylene-3-methylsuccinate [2CH2-3CH3-SUCC;2-CH2-3-CH3-succinate;methylitaconate;] C6H8O4 144.042259 NA metacyc NA NA +MetaCyc00845 α-methylene glutarate [2-CH2-glutarate;2-methyleneglutarate;] C6H8O4 144.042259 3621-79-2 metacyc NA NA +HMDB00393 3-Hexenedioic acid C6H8O4 144.04227 http://www.hmdb.ca/metabolites/HMDB00393 HMDB NA NA +HMDB00522 3-Methylglutaconic acid C6H8O4 144.04227 http://www.hmdb.ca/metabolites/HMDB00522 HMDB NA NA +HMDB02266 (E)-2-Methylglutaconic acid C6H8O4 144.04227 http://www.hmdb.ca/metabolites/HMDB02266 HMDB NA NA +HMDB03520 2-Methylglutaconic acid C6H8O4 144.04227 http://www.hmdb.ca/metabolites/HMDB03520 HMDB NA NA +HMDB00393 3-Hexenedioic acid C6H8O4 144.04227 HMDB00393 PFEM_hmdb_metabocards_official NA NA +HMDB00522 3-Methylglutaconic acid C6H8O4 144.04227 HMDB00522 PFEM_hmdb_metabocards_official NA NA +HMDB02266 (E)-2-Methylglutaconic acid C6H8O4 144.04227 HMDB02266 PFEM_hmdb_metabocards_official NA NA +HMDB03520 2-Methylglutaconic acid C6H8O4 144.04227 HMDB03520 PFEM_hmdb_metabocards_official NA NA +CJpos0268 Acetylcarnitine (and isomer) [(M+H)-(NC3H9)]+ C6H9O4 144.042275 C18rt(min)=1.05 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0268 Acetylcarnitine (and isomer) [(M+H)-(NC3H9)]+ C6H9O4 144.042275 C18rt(min)=1.05 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +C00922 2,3-Dimethylmaleate C6H8O4 144.0423 NA KEGG NA NA +C00923 Ferricytochrome C6H8O4 144.0423 NA KEGG NA NA +C00924 Ferrocytochrome C6H8O4 144.0423 NA KEGG NA NA +C00925 Heparan sulfate C6H8O4 144.0423 NA KEGG NA NA +C01757 Triacetate C6H8O4 144.0423 NA KEGG NA NA +C01758 Troponin I C6H8O4 144.0423 NA KEGG NA NA +C02295 Methylitaconate C6H8O4 144.0423 NA KEGG NA NA +C02297 N-Acetyldiamine C2H6N2O 144.0423 NA KEGG NA NA +C02930 2-Methyleneglutarate C6H8O4 144.0423 NA KEGG NA NA +MJ001948 2,3,4,5-Tetrahydro-4-hydroxy-3-pyridazinecarboxylic acid C5H8N2O3 144.053492 NA MeJP NA NA +C11713 beta-Naphthol C10H8O 144.0575 NA KEGG NA NA +C11714 alpha-Naphthol C10H8O 144.0575 NA KEGG NA NA +C14786 (1R,2S)-Naphthalene 1,2-oxide C10H8O 144.0575 NA KEGG NA NA +C14787 (1S,2R)-Naphthalene 1,2-oxide C10H8O 144.0575 NA KEGG NA NA +HMDB06215 Naphthalene epoxide C10H8O 144.05751 NA HMDB2010 NA NA +HMDB12138 1-Naphthol C10H8O 144.05751 NA HMDB2010 NA NA +HMDB12322 2-Naphthol C10H8O 144.05751 NA HMDB2010 NA NA +MJ001949 2,8-Decadiene-4,6-diyn-1-al C10H8O 144.057514 NA MeJP NA NA +MJ001950 2-Decene-4,6,8-triyn-1-ol C10H8O 144.057514 NA MeJP NA NA +MJ001951 2-Naphthol C10H8O 144.057514 NA MeJP NA NA +MetaCyc00846 1-naphthol [α-naphthol;] C10H8O1 144.057515 90-15-3 metacyc NA NA +C13720 alpha-EMTBL C7H12OS 144.0609 NA KEGG NA NA +HMDB03681 4-Acetamidobutanoic acid C6H10NO3 144.06607 http://www.hmdb.ca/metabolites/HMDB03681 HMDB NA NA +HMDB03681 4-Acetamidobutanoic acid C6H10NO3 144.06607 HMDB03681 PFEM_hmdb_metabocards_official NA NA +MJ001952 2-Aminoquinoline C9H8N2 144.068748 NA MeJP NA NA +MJ001953 4-Methylquinazoline C9H8N2 144.068748 NA MeJP NA NA +MJ001954 1-Isopropyl-2-imidazolidinethione C6H12N2S 144.072119 NA MeJP NA NA +CJpos0269 Tryptamine [(M+H)-(NH3)]+ (13C) C913CH10N 144.076275 C18rt(min)=5.58 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0269 Tryptamine [(M+H)-(NH3)]+ (13C) C913CH10N 144.076275 C18rt(min)=5.58 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +C04404 trans-4-Hydroxycyclohexanecarboxylate C7H12O3 144.0786 NA KEGG NA NA +C16590 7-Oxoheptanoic acid C7H12O3 144.0786 NA KEGG NA NA +HMDB01988 4-Hydroxycyclohexylcarboxylic acid C7H12O3 144.07864 http://www.hmdb.ca/metabolites/HMDB01988 PFEM_hmdb_metabocards_urine NA urine +HMDB01988 4-Hydroxycyclohexylcarboxylic acid C7H12O3 144.07864 http://www.hmdb.ca/metabolites/HMDB01988 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01988 4-Hydroxycyclohexylcarboxylic acid C7H12O3 144.07864 http://www.hmdb.ca/metabolites/HMDB01988 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01988 4-Hydroxycyclohexylcarboxylic acid C7H12O3 144.07864 http://www.hmdb.ca/metabolites/HMDB01988 HMDB NA NA +HMDB01988 4-Hydroxycyclohexylcarboxylic acid C7H12O3 144.07864 HMDB01988 PFEM_hmdb_metabocards_official NA NA +HMDB01988 4-Hydroxycyclohexylcarboxylic acid C7H12O3 144.078644 NA HMDB2010 NA NA +MJ001955 4-Ethyldihydro-3-hydroxy-4-methyl-2(3H)-furanone C7H12O3 144.078644 NA MeJP NA NA +MJ001956 5-Ethyltetrahydro-4-hydroxy-2H-pyran-2-one C7H12O3 144.078644 NA MeJP NA NA +MJ001957 Botryodiplodin C7H12O3 144.078644 NA MeJP NA NA +MJ001958 Dihydro-3-(1-hydroxyethyl)-4-methyl-2(3H)-furanone C7H12O3 144.078644 NA MeJP NA NA +MJ001959 Tetrahydro-5-hydroxy-6,6-dimethyl-2H-pyran-2-one C7H12O3 144.078644 NA MeJP NA NA +MetaCyc00847 ethyl-2-methylacetoacetate [] C7H12O3 144.078644 NA metacyc NA NA +MetaCyc00848 7-oxoheptanoate [7-oxoheptanoic acid;7-oxoheptanoate;] C7H12O3 144.078644 NA metacyc NA NA +MetaCyc00849 trans-4-hydroxycyclohexanecarboxylate [4-hydroxycyclohexanecarboxylate;4-hydroxycyclohexane-1-carboxylic acid;] C7H12O3 144.078644 NA metacyc NA NA +MJ001960 2,6-Diamino-2,3,4,6-tetradeoxy-glycero-hex-4-enopyranose C6H12N2O2 144.089877 NA MeJP NA NA +MJ001961 2,6-Diamino-4-hexenoic acid C6H12N2O2 144.089877 NA MeJP NA NA +MJ001962 2-Methoxy-1-pyrrolidinecarboxamide C6H12N2O2 144.089877 NA MeJP NA NA +MJ001963 4-Amino-2-piperidinecarboxylic acid C6H12N2O2 144.089877 NA MeJP NA NA +MJ001964 Geomycin C6H12N2O2 144.089877 NA MeJP NA NA +MJ001965 Hexanedioic acid; Diamide C6H12N2O2 144.089877 NA MeJP NA NA +C16837 4-Amino-1-piperidinecarboxylic acid C6H12N2O2 144.0899 NA KEGG NA NA +MJ001966 1,9-Undecadiene-5,7-diyne C11H12 144.0939 NA MeJP NA NA +MJ001967 2-Pentylthietane C8H16S 144.097271 NA MeJP NA NA +CJpos0270 Stachydrine (Proline betaine) [(M+H)]+ (13C) C613CH14NO2 144.097475 C18rt(min)=0.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0270 Stachydrine (Proline betaine) [(M+H)]+ (13C) C613CH14NO2 144.097475 C18rt(min)=0.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +C03078 4-Guanidinobutanamide C5H12N4O 144.1011 NA KEGG NA NA +MJ001968 4-Guanidinobutanamide C5H12N4O 144.101111 NA MeJP NA NA +MJ001969 4-Guanidinobutanoic acid; Amide C5H12N4O 144.101111 NA MeJP NA NA +MetaCyc00850 4-guanidinobutyramide [4-guanidinobutanamide;4-guanidobutanamide;4-guanido-butyramide;γ-guanidinobutyramide;] C5H12N4O1 144.101111 NA metacyc NA NA +C06423 Octanoic acid C8H16O2 144.115 NA KEGG NA NA +C07185 Valproic acid C8H16O2 144.115 NA KEGG NA NA +C07186 Transferred to D00400 C8H16O2 144.115 NA KEGG NA NA +MJ001970 2-Ethylhexanoic acid C8H16O2 144.115029 NA MeJP NA NA +MJ001971 2-Hydroxy-3-octanone C8H16O2 144.115029 NA MeJP NA NA +MJ001972 2-Methylpropanoic acid; 2-Methylpropyl ester C8H16O2 144.115029 NA MeJP NA NA +MJ001973 2-Methylpropanoic acid; Butyl ester C8H16O2 144.115029 NA MeJP NA NA +MJ001974 2-Propylpentanoic acid C8H16O2 144.115029 NA MeJP NA NA +MJ001975 3-Ethyl-4-methylpentanoic acid C8H16O2 144.115029 NA MeJP NA NA +MJ001976 3-Hydroxy-2-octanone C8H16O2 144.115029 NA MeJP NA NA +MJ001977 5-Hydroxy-4-methyl-3-heptanone C8H16O2 144.115029 NA MeJP NA NA +MJ001978 5-Methylhexanoic acid; Me ester C8H16O2 144.115029 NA MeJP NA NA +MJ001979 5-Octene-1,3-diol C8H16O2 144.115029 NA MeJP NA NA +MJ001980 6-Methylheptanoic acid C8H16O2 144.115029 NA MeJP NA NA +MJ001981 Hexanoic acid; Et ester C8H16O2 144.115029 NA MeJP NA NA +MJ001982 Octanoic acid C8H16O2 144.115029 NA MeJP NA NA +MJ001983 Pityol C8H16O2 144.115029 NA MeJP NA NA +MJ001984 Tetrahydro-2,2,6-trimethyl-2H-pyran-3-ol C8H16O2 144.115029 NA MeJP NA NA +MetaCyc00851 octanoate [octanoate (n-C8:0);C-8 acid;n-caprylic acid;caprylic acid;capryloate;1-heptanecarboxylic acid;neo-fat 8;octanoic acid;n-octanoic acid;n-octic acid;octoic acid;n-octylic acid;] C8H16O2 144.11503 124-07-2 metacyc NA NA +LABER050 caprylic acid NA 144.115036 NA PFEM_hmdb_metabocards_urine NA urine +LABER050 caprylic acid NA 144.115036 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER050 caprylic acid NA 144.115036 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER050 caprylic acid NA 144.115036 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER050 caprylic acid NA 144.115036 NA HMDB NA NA +HMDB00482 Caprylic acid C8H16O2 144.115036 NA HMDB2010 NA NA +HMDB01877 Valproic acid C8H16O2 144.115036 NA HMDB2010 NA NA +LABER050 caprylic acid NA 144.115036 NA Inhouse_PFEM NA NA +LABER050 caprylic acid NA 144.115036 NA Inhousejuil11 NA NA +LABER050 caprylic acid NA 144.115036 NA PFEM_hmdb_metabocards_blood NA blood +LABER050 caprylic acid NA 144.115036 NA PFEM_hmdb_metabocards_official NA NA +HMDB00482 Caprylic acid C8H16O2 144.11504 http://www.hmdb.ca/metabolites/HMDB00482 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01877 Valproic acid C8H16O2 144.11504 http://www.hmdb.ca/metabolites/HMDB01877 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00482 Caprylic acid C8H16O2 144.11504 http://www.hmdb.ca/metabolites/HMDB00482 HMDB NA NA +HMDB01877 Valproic acid C8H16O2 144.11504 http://www.hmdb.ca/metabolites/HMDB01877 HMDB NA NA +HMDB00482 Caprylic acid C8H16O2 144.11504 http://www.hmdb.ca/metabolites/HMDB00482 PFEM_hmdb_metabocards_blood NA blood +HMDB01877 Valproic acid C8H16O2 144.11504 http://www.hmdb.ca/metabolites/HMDB01877 PFEM_hmdb_metabocards_blood NA blood +HMDB00482 Caprylic acid C8H16O2 144.11504 HMDB00482 PFEM_hmdb_metabocards_official NA NA +HMDB01877 Valproic acid C8H16O2 144.11504 HMDB01877 PFEM_hmdb_metabocards_official NA NA +MJ001985 2-(Pentylamino)acetamide C7H16N2O 144.126263 NA MeJP NA NA +MetaCyc00852 1-(3-aminopropyl)-4-aminobutanal [] C7H16N2O1 144.126263 NA metacyc NA NA +HMDB02284 N-Acetylcadaverine C7H16N2O 144.126266 NA HMDB2010 NA NA +HMDB12135 1-(3-Aminopropyl)-4-aminobutanal C7H16N2O 144.126266 NA HMDB2010 NA NA +HMDB02284 N-Acetylcadaverine C7H16N2O 144.12627 http://www.hmdb.ca/metabolites/HMDB02284 HMDB NA NA +HMDB02284 N-Acetylcadaverine C7H16N2O 144.12627 HMDB02284 PFEM_hmdb_metabocards_official NA NA +MJ001986 (4-Aminobutyl)guanidine; N6-Me C6H16N4 144.137496 NA MeJP NA NA +MJ001987 (5-Aminopentyl)guanidine C6H16N4 144.137496 NA MeJP NA NA +C11459 Butyro-betaine C8H18NO 144.1388 NA KEGG NA NA +C14696 1-Nonanol C9H20O 144.1514 NA KEGG NA NA +MJ001988 1-Nonanol C9H20O 144.151415 NA MeJP NA NA +MJ001989 2-Methyl-4-octanol C9H20O 144.151415 NA MeJP NA NA +MJ001990 2-Nonanol C9H20O 144.151415 NA MeJP NA NA +MJ001991 3-Methyl-4-octanol C9H20O 144.151415 NA MeJP NA NA +MJ001992 3-Nonanol C9H20O 144.151415 NA MeJP NA NA +MJ001993 4-Nonanol C9H20O 144.151415 NA MeJP NA NA +MJ001994 5-Methyl-4-octanol C9H20O 144.151415 NA MeJP NA NA +MJ001995 (1-Methylheptyl)hydrazine C8H20N2 144.162648 NA MeJP NA NA +MJ001996 N,N,N',N'-Tetramethyl-1,4-butanediamine C8H20N2 144.162648 NA MeJP NA NA +MetaCyc00853 1,8-diaminooctane [] C8H20N2 144.162649 NA metacyc NA NA +MJ001997 2-Amino-5-nitrothiazole C3H3N3O2S 144.994597 NA MeJP NA NA +C06560 Deisopropyldeethylatrazine C3H4ClN5 145.0155 NA KEGG NA NA +MJ001998 6-Octene-2,4-diynedioic acid, 1-Mononitrile C8H3NO2 145.016378 NA MeJP NA NA +C04445 3,4-Dehydrothiomorpholine-3-carboxylate C5H7NO2S 145.0197 NA KEGG NA NA +MetaCyc00854 3,4-dehydrothiomorpholine-3-carboxylate [5,6-dihydro-2H-1,4-thiazine-3-carboxylate;] C5H7N1O2S1 145.019749 NA metacyc NA NA +C00940 2-Oxoglutaramate C5H7NO4 145.0375 NA KEGG NA NA +C05572 4-Oxoglutaramate C5H7NO4 145.0375 NA KEGG NA NA +HMDB01552 2-Keto-glutaramic acid C5H7NO4 145.037506 NA HMDB2010 NA NA +MJ001999 2-Oxoglutaramate C5H7NO4 145.037507 NA MeJP NA NA +MJ002000 4-Oxoglutaramate C5H7NO4 145.037507 NA MeJP NA NA +MetaCyc00855 4-oxoglutaramate [] C5H7N1O4 145.037508 NA metacyc NA NA +MetaCyc00856 2-keto-glutaramate [2-oxoglutaramate;] C5H7N1O4 145.037508 18465-19-5 metacyc NA NA +HMDB01552 2-Keto-glutaramic acid C5H7NO4 145.03751 http://www.hmdb.ca/metabolites/HMDB01552 HMDB NA NA +HMDB01552 2-Keto-glutaramic acid C5H7NO4 145.03751 HMDB01552 PFEM_hmdb_metabocards_official NA NA +MJ002001 Quisqualamine C4H7N3O3 145.048741 NA MeJP NA NA +EUR363 Tryptophan F4 F4 145.049975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR363 Tryptophan F4 NA 145.049975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR363 Tryptophan F4 F4 145.049975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR363 Tryptophan F4 NA 145.049975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR363 Tryptophan F4 F4 145.049975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR363 Tryptophan F4 NA 145.049975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR363 Tryptophan F4 F4 145.049975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR363 Tryptophan F4 F4 145.049975 standards wishlist analysés sur QTOF HMDB NA NA +EUR363 Tryptophan F4 F4 145.049975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR363 Tryptophan F4 NA 145.049975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR363 Tryptophan F4 F4 145.049975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR363 Tryptophan F4 F4 145.049975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0271 5-hydroxyindoleacetic acid [(M+H)-(HCOOH)]+ C9H8NO 145.052175 C18rt(min)=5.68 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0271 5-hydroxyindoleacetic acid [(M+H)-(HCOOH)]+ C9H8NO 145.052175 C18rt(min)=5.68 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ002002 1H-Indole-3-carboxaldehyde C9H7NO 145.052763 NA MeJP NA NA +MJ002003 1H-Indole-7-carboxaldehyde C9H7NO 145.052763 NA MeJP NA NA +MJ002004 8-Quinolinol C9H7NO 145.052763 NA MeJP NA NA +MetaCyc00857 quinolin-4-ol [] C9H7N1O1 145.052764 611-36-9 metacyc NA NA +MetaCyc00858 quinolin-2(1H)-one [quinolin-2-one;] C9H7N1O1 145.052764 NA metacyc NA NA +MetaCyc00859 quinolin-2-ol [] C9H7N1O1 145.052764 59-31-4 metacyc NA NA +MetaCyc00860 isoquinolin-12H-one [] C9H7N1O1 145.052764 491-30-5 metacyc NA NA +MetaCyc00861 3-methyleneoxindole [3-methylene-1H-indol-2-one;] C9H7N1O1 145.052764 NA metacyc NA NA +MetaCyc00862 indole-3-carboxaldehyde [] C9H7N1O1 145.052764 NA metacyc NA NA +C02796 3-Methyleneoxindole C9H7NO 145.0528 NA KEGG NA NA +C06324 1(2H)-Isoquinolinone C9H7NO 145.0528 NA KEGG NA NA +C06338 Quinolin-2-ol C9H7NO 145.0528 NA KEGG NA NA +C06343 Quinolin-4-ol C9H7NO 145.0528 NA KEGG NA NA +C06415 2(1H)-Quinolinone C9H7NO 145.0528 NA KEGG NA NA +C08493 Indole-3-carboxaldehyde C9H7NO 145.0528 NA KEGG NA NA +CJneg0118 kynurenic acid [(M-H)-(CO2)]- C9H6NO 145.053325 C18rt(min)=5.39 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0118 kynurenic acid [(M-H)-(CO2)]- C9H6NO 145.053325 C18rt(min)=5.39 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ002005 5-Ethyl-5-methyl-2-oxazolidinethione C6H11NOS 145.056134 NA MeJP NA NA +HMDB00052 Argininosuccinic acid C10H18N4O6 145.06131 MH2+ Inhouse_peptide NA peptide +CJpos0272 4-Acetamidobutanoic acid [(M+H)]+ C6H12NO3 145.073375 C18rt(min)=2.91 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0273 4-Acetamidobutanoic acid isomer [(M+H)]+ C6H12NO3 145.073375 C18rt(min)=1.8 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0274 N-Isobutyrylglycine [(M+H)]+ C6H12NO3 145.073375 C18rt(min)=4 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0275 4-Acetamidobutanoic acid [(M+H)]+ C6H12NO3 145.073375 C18rt(min)=1.02 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0276 4-Aminophenol (and isomers) [(M+H)+2(H2O)]+ C6H12NO3 145.073375 C18rt(min)=1.04 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0272 4-Acetamidobutanoic acid [(M+H)]+ C6H12NO3 145.073375 C18rt(min)=2.91 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0273 4-Acetamidobutanoic acid isomer [(M+H)]+ C6H12NO3 145.073375 C18rt(min)=1.8 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0274 N-Isobutyrylglycine [(M+H)]+ C6H12NO3 145.073375 C18rt(min)=4 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0275 4-Acetamidobutanoic acid [(M+H)]+ C6H12NO3 145.073375 C18rt(min)=1.02 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0276 4-Aminophenol (and isomers) [(M+H)+2(H2O)]+ C6H12NO3 145.073375 C18rt(min)=1.04 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB00730 Isobutyrylglycine C6H11NO3 145.07388 http://www.hmdb.ca/metabolites/HMDB00730 HMDB NA NA +HMDB00808 N-Butyrylglycine C6H11NO3 145.07388 http://www.hmdb.ca/metabolites/HMDB00808 HMDB NA NA +HMDB01263 Allysine C6H11NO3 145.07388 http://www.hmdb.ca/metabolites/HMDB01263 HMDB NA NA +HMDB00730 Isobutyrylglycine C6H11NO3 145.07388 HMDB00730 PFEM_hmdb_metabocards_official NA NA +HMDB00808 N-Butyrylglycine C6H11NO3 145.07388 HMDB00808 PFEM_hmdb_metabocards_official NA NA +HMDB01263 Allysine C6H11NO3 145.07388 HMDB01263 PFEM_hmdb_metabocards_official NA NA +MJ002006 (S)-5-Amino-3-oxohexanoate C6H11NO3 145.073893 NA MeJP NA NA +MJ002007 2-Amino-3-oxohexanoate C6H11NO3 145.073893 NA MeJP NA NA +MJ002008 4-Acetamidobutanoate C6H11NO3 145.073893 NA MeJP NA NA +MJ002009 4-Methylene-L-glutamate C6H11NO3 145.073893 NA MeJP NA NA +MJ002010 6-Amino-2-oxohexanoate C6H11NO3 145.073893 NA MeJP NA NA +MJ002011 L-2-Aminoadipate 6-semialdehyde C6H11NO3 145.073893 NA MeJP NA NA +MJ002012 1-Amino-3-(hydroxymethyl)cyclobutanecarboxylic acid C6H11NO3 145.073893 NA MeJP NA NA +MJ002013 2-Amino-1-hydroxy-1-cyclobutaneacetic acid C6H11NO3 145.073893 NA MeJP NA NA +MJ002014 2-Amino-3-hydroxymethyl-3-pentenoic acid C6H11NO3 145.073893 NA MeJP NA NA +MJ002015 2-Amino-3-methyl-4-oxopentanoic acid C6H11NO3 145.073893 NA MeJP NA NA +MJ002016 2-Amino-4-oxohexanoic acid C6H11NO3 145.073893 NA MeJP NA NA +MJ002017 2-Amino-6-oxohexanoic acid C6H11NO3 145.073893 NA MeJP NA NA +MJ002018 3-Hydroxy-2-piperidinecarboxylic acid C6H11NO3 145.073893 NA MeJP NA NA +MJ002019 3-Hydroxy-2-pyrrolidinecarboxylic acid, N-Me C6H11NO3 145.073893 NA MeJP NA NA +MJ002020 3-Hydroxy-4-methyl-2-pyrrolidinecarboxylic acid C6H11NO3 145.073893 NA MeJP NA NA +MJ002021 3-Hydroxy-5-methyl-2-pyrrolidinecarboxylic acid C6H11NO3 145.073893 NA MeJP NA NA +MJ002022 4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid C6H11NO3 145.073893 NA MeJP NA NA +MJ002023 4-Hydroxy-2-piperidinecarboxylic acid C6H11NO3 145.073893 NA MeJP NA NA +MJ002024 4-Hydroxy-2-pyrrolidinecarboxylic acid, N-Me C6H11NO3 145.073893 NA MeJP NA NA +MJ002025 4-Hydroxy-3-piperidinecarboxylic acid C6H11NO3 145.073893 NA MeJP NA NA +MJ002026 5-Hydroxy-2-piperidinecarboxylic acid C6H11NO3 145.073893 NA MeJP NA NA +MetaCyc00863 4-acetamidobutanoate [] C6H11N1O3 145.073893 NA metacyc NA NA +MetaCyc00864 N-acetyl-4-aminobutyrate [N-acetyl-γ-aminobutyrate;] C6H11N1O3 145.073893 NA metacyc NA NA +MetaCyc00865 (S)-5-amino-3-oxohexanoate [] C6H11N1O3 145.073893 40802-96-8 metacyc NA NA +MetaCyc00866 α-aminoadipate 6-semialdehyde [2-aminoadipate 6-semialdehyde;L-2-aminoadipate 6-semialdehyde;] C6H11N1O3 145.073893 NA metacyc NA NA +MetaCyc00867 2-aminoadipate-6-semialdehyde [2-aminoadipate semialdehyde;allysine;] C6H11N1O3 145.073893 1962-83-0 metacyc NA NA +MetaCyc00868 5-hydroxy-pipecolate [] C6H11N1O3 145.073893 NA metacyc NA NA +MetaCyc00869 2-keto-6-aminocaproate [2-oxo-6-aminohexanoate;2-oxo-6-aminocaproate;6-amino-2-oxohexanoate;] C6H11N1O3 145.073893 NA metacyc NA NA +EUR018 Aminoadipic semialdehyde C6H11NO3 145.073894 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR018 Aminoadipic semialdehyde C6H11NO3 145.073894 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR018 Aminoadipic semialdehyde C6H11NO3 145.073894 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR018 Aminoadipic semialdehyde C6H11NO3 145.073894 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR018 Aminoadipic semialdehyde C6H11NO3 145.073894 Wishlist HMDB NA NA +EUR018 Aminoadipic semialdehyde C6H11NO3 145.073894 Wishlist Inhouse_PFEM NA NA +EUR018 Aminoadipic semialdehyde C6H11NO3 145.073894 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR018 Aminoadipic semialdehyde C6H11NO3 145.073894 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00730 Isobutyrylglycine C6H11NO3 145.073898 NA HMDB2010 NA NA +HMDB00808 N-Butyrylglycine C6H11NO3 145.073898 NA HMDB2010 NA NA +HMDB01263 Allysine C6H11NO3 145.073898 NA HMDB2010 NA NA +HMDB03681 4-Acetamidobutanoic acid C6H11NO3 145.073898 NA HMDB2010 NA NA +HMDB12131 (S)-5-Amino-3-oxohexanoate C6H11NO3 145.073898 NA HMDB2010 NA NA +HMDB12151 2-Keto-6-aminocaproate C6H11NO3 145.073898 NA HMDB2010 NA NA +EUR018 aminoadipic semialdehyde C6H11NO3 145.0739 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR018 aminoadipic semialdehyde C6H11NO3 145.0739 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR018 aminoadipic semialdehyde C6H11NO3 145.0739 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR018 aminoadipic semialdehyde C6H11NO3 145.0739 Wishlist Inhousejuil11 NA NA +C02946 4-Acetamidobutanoate C6H11NO3 145.0739 NA KEGG NA NA +C03239 6-Amino-2-oxohexanoate C6H11NO3 145.0739 NA KEGG NA NA +C03656 (S)-5-Amino-3-oxohexanoic acid C6H11NO3 145.0739 NA KEGG NA NA +C04076 L-2-Aminoadipate 6-semialdehyde C6H11NO3 145.0739 NA KEGG NA NA +C05825 2-Amino-5-oxohexanoate C6H11NO3 145.0739 NA KEGG NA NA +HMDB03681 4-Acetamidobutanoic acid C6H11NO3 145.0739 Tripeptides ;SYN:Protirelin; Protirelin (JP15/USAN); Relefact TRH (TN); TRF; TRH; Thyroliberin; Thyrotropin releasing hormone; Thyrotropin-releasing factor; Thyrotropin-releasing factor (8CI); (Pyro)-L-glutamic acid-L-histidine-L-proline-NH2; L-Pyroglutamyl-L-histidyl-L-prolinamide; L-Pyroglutamyl-L-histidyl-L-proline amide; Lopremone; Prem; Relefact TRH; Rifathyroin; Rifotironin; Stimu TSH; Synthetic TRF; Synthetic TRH; Synthetic TSH-releasing factor; Synthetic TSH-releasing hormone; Synthetic thyrotropin-releasing factor; Synthetic thyrotropin-releasing hormone; TSH-RF; TSH-releasing factor; TSH-releasing hormone; Thypinone; Thyrefact; Thyroid releasing hormone; Thyroid-stimulating hormone-releasing factor; Thyrotropic hormone-releasing factor; Thyrotropic hormone-releasing hormone; Thyrotropic releasing hormone; Thyrotropic-releasing factor; Thyrotropin-releasing hormoneH2Blood; Urine Inhouse_peptide NA peptide +CJneg0119 N2-acetylaminoadipic acid [(M-H)-C2H2O2]- C6H10O3N 145.074425 C18rt(min)=4.05 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0120 4-Acetamidobutanoic acid [(M-H)]- C6H10NO3 145.074425 C18rt(min)=2.91 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0119 N2-acetylaminoadipic acid [(M-H)-C2H2O2]- C6H10O3N 145.074425 C18rt(min)=4.05 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0120 4-Acetamidobutanoic acid [(M-H)]- C6H10NO3 145.074425 C18rt(min)=2.91 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C00290 Fibrin C5H11N3O2 145.0851 NA KEGG NA NA +C01035 4-Guanidinobutanoate C5H11N3O2 145.0851 NA KEGG NA NA +MJ002027 4-Guanidinobutanoate C5H11N3O2 145.085126 NA MeJP NA NA +MJ002028 2,3,5-Triamino-2,3,5-trideoxyarabinonic acid, 1,4-Lactone C5H11N3O2 145.085126 NA MeJP NA NA +MJ002029 4-Guanidinobutanoic acid C5H11N3O2 145.085126 NA MeJP NA NA +MetaCyc00870 4-guanidinobutyrate [γ-guanidinobutyrate;4-guanidinobutanoate;] C5H11N3O2 145.085127 NA metacyc NA NA +MetaCyc00871 4-guanido-butyrate [] C5H11N3O2 145.085127 NA metacyc NA NA +HMDB03464 4-Guanidinobutanoic acid C5H11N3O2 145.085129 NA HMDB2010 NA NA +HMDB03464 4-Guanidinobutanoic acid C5H11N3O2 145.08513 http://www.hmdb.ca/metabolites/HMDB03464 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03464 4-Guanidinobutanoic acid C5H11N3O2 145.08513 http://www.hmdb.ca/metabolites/HMDB03464 HMDB NA NA +HMDB03464 4-Guanidinobutanoic acid C5H11N3O2 145.08513 NA ;SYN:N,n-dimethyl-l-proline; L-proline betaine; (S)-2-carboxy-1,1-dimethylpyrrolidinium; (2S)-2-carboxy-1,1-dimethylpyrrolidinium; Prestwick-08G03; Homostachydrine; StachydrineH2Blood; Urine Inhouse_peptide NA peptide +HMDB03464 4-Guanidinobutanoic acid C5H11N3O2 145.08513 http://www.hmdb.ca/metabolites/HMDB03464 PFEM_hmdb_metabocards_blood NA blood +HMDB03464 4-Guanidinobutanoic acid C5H11N3O2 145.08513 HMDB03464 PFEM_hmdb_metabocards_official NA NA +MJ002030 2,4-Dimethyl-1H-indole C10H11N 145.089149 NA MeJP NA NA +CJpos0277 Stachydrine (Proline betaine) [(M+H)]+ (18O) C7H14NO18O 145.098275 C18rt(min)=0.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0277 Stachydrine (Proline betaine) [(M+H)]+ (18O) C7H14NO18O 145.098275 C18rt(min)=0.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +HMDB06831 3-Dehydroxycarnitine C7H15NO2 145.110275 NA HMDB2010 NA NA +MJ002031 2-Amino-3-methylhexanoic acid C7H15NO2 145.110278 NA MeJP NA NA +MJ002032 2-Amino-3-methylpentanoic acid, N-Me C7H15NO2 145.110278 NA MeJP NA NA +MJ002033 2-Amino-3-pentanol, N-Ac C7H15NO2 145.110278 NA MeJP NA NA +MJ002034 2-Amino-4-methylhexanoic acid C7H15NO2 145.110278 NA MeJP NA NA +MJ002035 2-Amino-5-methylhexanoic acid C7H15NO2 145.110278 NA MeJP NA NA +MJ002036 2-Aminoheptanoic acid C7H15NO2 145.110278 NA MeJP NA NA +MJ002037 Actinine C7H15NO2 145.110278 NA MeJP NA NA +MJ002038 Emylcamate C7H15NO2 145.110278 NA MeJP NA NA +MJ002039 Leucine, N-Me C7H15NO2 145.110278 NA MeJP NA NA +MJ002040 Acetylcholine(1+) C7H16NO2(+) 145.110278 NA MeJP NA NA +MetaCyc00872 γ-butyrobetaine [3-carboxypropyl-trimethyl-ammonium;4-trimethylammoniobutanoate;] C7H15N1O2 145.110279 NA metacyc NA NA +HMDB06831 3-Dehydroxycarnitine C7H15NO2 145.11028 http://www.hmdb.ca/metabolites/HMDB06831 HMDB NA NA +HMDB06831 3-Dehydroxycarnitine C7H15NO2 145.11028 HMDB06831 PFEM_hmdb_metabocards_official NA NA +C01930 L-Lysinamide C6H15N3O 145.1215 NA KEGG NA NA +C01931 L-Lysyl-tRNA C16H29N2O11PR2 145.1215 NA KEGG NA NA +MJ002041 6-Amino-2-methyl-2-heptanol C8H19NO 145.146664 NA MeJP NA NA +CJpos0278 Spermidine [M+H]+ C7H20N3 145.157375 C18rt(min)=0.71 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0278 Spermidine [M+H]+ C7H20N3 145.157375 C18rt(min)=0.71 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ002042 Spermidine C7H19N3 145.157897 NA MeJP NA NA +LABER040 Spermidine NA 145.157898 RT 1.48 fragt 146, 112, 58, 72, 84 PFEM_hmdb_metabocards_urine NA urine +LABER040 Spermidine NA 145.157898 RT 1.48 fragt 146, 112, 58, 72, 84 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER040 Spermidine NA 145.157898 RT 1.48 fragt 146, 112, 58, 72, 84 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER040 Spermidine NA 145.157898 RT 1.48 fragt 146, 112, 58, 72, 84 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER040 Spermidine NA 145.157898 RT 1.48 fragt 146, 112, 58, 72, 84 HMDB NA NA +HMDB01257 Spermidine C7H19N3 145.157898 NA HMDB2010 NA NA +LABER040 Spermidine NA 145.157898 RT 1.48 fragt 146, 112, 58, 72, 84 Inhouse_PFEM NA NA +LABER040 Spermidine NA 145.157898 RT 1.48 fragt 146, 112, 58, 72, 84 Inhousejuil11 NA NA +MetaCyc00873 spermidine [] C7H19N3 145.157898 124-20-9 metacyc NA NA +LABER040 Spermidine NA 145.157898 RT 1.48 fragt 146, 112, 58, 72, 84 PFEM_hmdb_metabocards_blood NA blood +LABER040 Spermidine NA 145.157898 RT 1.48 fragt 146, 112, 58, 72, 84 PFEM_hmdb_metabocards_official NA NA +HMDB01257 Spermidine C7H19N3 145.1579 http://www.hmdb.ca/metabolites/HMDB01257 PFEM_hmdb_metabocards_urine NA urine +HMDB01257 Spermidine C7H19N3 145.1579 http://www.hmdb.ca/metabolites/HMDB01257 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01257 Spermidine C7H19N3 145.1579 http://www.hmdb.ca/metabolites/HMDB01257 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01257 Spermidine C7H19N3 145.1579 http://www.hmdb.ca/metabolites/HMDB01257 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01257 Spermidine C7H19N3 145.1579 http://www.hmdb.ca/metabolites/HMDB01257 HMDB NA NA +C00315 Spermidine C7H19N3 145.1579 NA KEGG NA NA +C00316 Tripeptide C6H8N3O4R3 145.1579 NA KEGG NA NA +HMDB01257 Spermidine C7H19N3 145.1579 http://www.hmdb.ca/metabolites/HMDB01257 PFEM_hmdb_metabocards_blood NA blood +HMDB01257 Spermidine C7H19N3 145.1579 HMDB01257 PFEM_hmdb_metabocards_official NA NA +C11148 TCE epoxide C2HCl3O 145.9093 NA KEGG NA NA +C14866 Chloral C2HCl3O 145.9093 NA KEGG NA NA +C14867 Dichloroacetyl chloride C2HCl3O 145.9093 NA KEGG NA NA +C05697 Selenate H2SeO4 145.9118 NA KEGG NA NA +MetaCyc00874 selenate [] H2O4SE1 145.91183 NA metacyc NA NA +C14400 1,2,3-Trichloropropane C3H5Cl3 145.9457 NA KEGG NA NA +C07092 1,4-Dichlorobenzene C6H4Cl2 145.969 NA KEGG NA NA +C14328 1,2-Dichlorobenzene C6H4Cl2 145.969 NA KEGG NA NA +MJ002043 1,4-Dichlorobenzene C6H4Cl2 145.969005 NA MeJP NA NA +MetaCyc00875 1,4-dichlorobenzene [DCB;Dichloricide;Evola;globol;p-chlorophenyl chloride;p-dichlorobenzol;PARA;para-Dichlorobenzene;Para-zene;Paracide;Paradow;Paramoth;paranuggets;PDB;PDCB;persia-perazol;santochlor;] C6H4CL2 145.969006 106-46-7 metacyc NA NA +MetaCyc00876 ortho-dichloro-benzene [O-dichlorobenzene;2-dichlorobenzene;O-dichloro-benzene;1,2-dichloro-benzene;] C6H4CL2 145.969006 95-50-1 metacyc NA NA +C08735 2-Chloro-4-hydroxy-6-amino-1,3,5-triazine C3H3ClN4O 145.9995 NA KEGG NA NA +C12837 3-Chloro-cis-1,2-dihydroxycyclohexa-3,5-diene C6H7ClO2 146.0135 NA KEGG NA NA +C13695 ZAPA C4H6N2O2S 146.015 NA KEGG NA NA +CJpos0279 Citric acid [(M+H)-(HCOOH)]+ C5H7O5 146.020975 C18rt(min)=1.6 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0279 Citric acid [(M+H)-(HCOOH)]+ C5H7O5 146.020975 C18rt(min)=1.6 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +C00026 2-Oxoglutarate C5H6O5 146.0215 NA KEGG NA NA +C03716 Oxaloacetate 4-methyl ester C5H6O5 146.0215 NA KEGG NA NA +C05406 5-Hydroxy-2,4-dioxopentanoate C5H6O5 146.0215 NA KEGG NA NA +C05407 2-Dehydro-3-deoxy-D-alabinonate C5H6O5 146.0215 NA KEGG NA NA +C06030 Methyloxaloacetate C5H6O5 146.0215 NA KEGG NA NA +C06316 Dehydro-D-arabinono-1,4-lactone C5H6O5 146.0215 NA KEGG NA NA +HMDB00208 Oxoglutaric acid C5H6O5 146.02151 http://www.hmdb.ca/metabolites/HMDB00208 PFEM_hmdb_metabocards_urine NA urine +HMDB00208 Oxoglutaric acid C5H6O5 146.02151 http://www.hmdb.ca/metabolites/HMDB00208 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00208 Oxoglutaric acid C5H6O5 146.02151 http://www.hmdb.ca/metabolites/HMDB00208 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00208 Oxoglutaric acid C5H6O5 146.02151 http://www.hmdb.ca/metabolites/HMDB00208 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00208 Oxoglutaric acid C5H6O5 146.02151 http://www.hmdb.ca/metabolites/HMDB00208 HMDB NA NA +HMDB00208 Oxoglutaric acid C5H6O5 146.02151 http://www.hmdb.ca/metabolites/HMDB00208 PFEM_hmdb_metabocards_blood NA blood +HMDB00208 Oxoglutaric acid C5H6O5 146.02151 HMDB00208 PFEM_hmdb_metabocards_official NA NA +MJ002044 2-Oxoglutarate C5H6O5 146.021523 NA MeJP NA NA +MJ002045 Methyloxaloacetate C5H6O5 146.021523 NA MeJP NA NA +MJ002046 2-Oxopentanedioic acid C5H6O5 146.021523 NA MeJP NA NA +MJ002047 3,4-Dihydroxy-5-(hydroxymethyl)-2(5H)-furanone C5H6O5 146.021523 NA MeJP NA NA +MetaCyc00877 methyloxaloacetate [methyloxalo-acetate;2-methyl-3-oxo-succinic acid;] C5H6O5 146.021523 NA metacyc NA NA +MetaCyc00878 oxaloacetate 4-methyl ester [] C5H6O5 146.021523 NA metacyc NA NA +MetaCyc00879 D-erythro-ascorbate [erythro-ascorbate;] C5H6O5 146.021523 NA metacyc NA NA +MetaCyc00880 5-hydroxy-2,4-dioxopentanoate [5-hydroxy-2,4-dioxovalerate;(4S)-5-hydroxy-2,4-dioxopentanoate;] C5H6O5 146.021523 NA metacyc NA NA +MetaCyc00881 α-ketoglutarate [ketoglutarate;α-ketoglutarate;2-oxoglutaric acid;α-ketoglutaric acid;α-oxoglutarate;2-oxoglutarate;2-ketoglutaric acid;2-ketoglutarate;2-oxopentanedionic acid;2-oxopentanedionate;] C5H6O5 146.021523 328-50-7 metacyc NA NA +LABER065 ketoglutaric NA 146.02153 NA PFEM_hmdb_metabocards_urine NA urine +LABER065 ketoglutaric NA 146.02153 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER065 ketoglutaric NA 146.02153 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER065 ketoglutaric NA 146.02153 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER065 ketoglutaric NA 146.02153 NA HMDB NA NA +LABER065 ketoglutaric NA 146.02153 NA Inhouse_PFEM NA NA +LABER065 ketoglutaric NA 146.02153 NA Inhousejuil11 NA NA +LABER065 ketoglutaric NA 146.02153 NA PFEM_hmdb_metabocards_blood NA blood +LABER065 ketoglutaric NA 146.02153 NA PFEM_hmdb_metabocards_official NA NA +HMDB00208 Oxoglutaric acid C5H6O5 146.02153 NA HMDB2010 NA NA +CJneg0129 Ascorbic acid [(M-H)-(CH2O)]- C5H5O5 146.021925 C18rt(min)=1.04 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0129 Ascorbic acid [(M-H)-(CH2O)]- C5H5O5 146.021925 C18rt(min)=1.04 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0121 ?-Ketoglutaric acid [(M-H)]- C5H5O5 146.022025 C18rt(min)=1.03 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0121 ?-Ketoglutaric acid [(M-H)]- C5H5O5 146.022025 C18rt(min)=1.03 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ002048 1-Propenyl 2-propenyl disulfide C6H10S2 146.022391 NA MeJP NA NA +MJ002049 3,4-Dihydro-3-vinyl-1,2-dithiin; 1',2'-Dihydro C6H10S2 146.022391 NA MeJP NA NA +MJ002050 3,4-Dihydro-3-vinyl-1,2-dithiin; 1',2'-dihydro C6H10S2 146.022391 NA MeJP NA NA +MJ002051 Di-1-propenyl disulfide C6H10S2 146.022391 NA MeJP NA NA +MJ002052 Di-2-propenyl disulfide C6H10S2 146.022391 NA MeJP NA NA +C08369 Diallyl disulfide C6H10S2 146.0224 NA KEGG NA NA +MetaCyc00882 3-oxo-3-ureidopropanoate [] C4H6N2O4 146.032757 NA metacyc NA NA +C11117 5-N-Methyloxaluric acid C4H6N2O4 146.0328 NA KEGG NA NA +C15607 3-Oxo-3-ureidopropanoate C4H6N2O4 146.0328 NA KEGG NA NA +JH104 Tyrosine [M+H-NH3-H2O]+ NA 146.0336 1.65 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH104 Tyrosine [M+H-NH3-H2O]+ NA 146.0336 1.65 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH104 Tyrosine [M+H-NH3-H2O]+ NA 146.0336 1.65 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH104 Tyrosine [M+H-NH3-H2O]+ NA 146.0336 1.65 Inhousejuil11 NA NA +EUR420 Tyrosine F3 F3 146.035575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR420 Tyrosine F3 NA 146.035575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR420 Tyrosine F3 F3 146.035575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR420 Tyrosine F3 NA 146.035575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR420 Tyrosine F3 F3 146.035575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR420 Tyrosine F3 NA 146.035575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR420 Tyrosine F3 F3 146.035575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR420 Tyrosine F3 F3 146.035575 standards wishlist analysés sur QTOF HMDB NA NA +EUR420 Tyrosine F3 F3 146.035575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR420 Tyrosine F3 NA 146.035575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR420 Tyrosine F3 F3 146.035575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR420 Tyrosine F3 F3 146.035575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +JH058 Coumaric acid (p-) [M+H-H20]+ NA 146.0362 13.89 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH058 Coumaric acid (p-) [M+H-H20]+ NA 146.0362 13.89 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH058 Coumaric acid (p-) [M+H-H20]+ NA 146.0362 13.89 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH058 Coumaric acid (p-) [M+H-H20]+ NA 146.0362 13.89 Inhousejuil11 NA NA +HMDB01218 Coumarin C9H6O2 146.03677 http://www.hmdb.ca/metabolites/HMDB01218 HMDB NA NA +HMDB02359 Phenylpropiolic acid C9H6O2 146.03677 http://www.hmdb.ca/metabolites/HMDB02359 HMDB NA NA +HMDB01218 Coumarin C9H6O2 146.03677 HMDB01218 PFEM_hmdb_metabocards_official NA NA +HMDB02359 Phenylpropiolic acid C9H6O2 146.03677 HMDB02359 PFEM_hmdb_metabocards_official NA NA +HMDB01218 Coumarin C9H6O2 146.036774 NA HMDB2010 NA NA +HMDB02359 Phenylpropiolic acid C9H6O2 146.036774 NA HMDB2010 NA NA +MJ002053 Coumarine C9H6O2 146.036779 NA MeJP NA NA +MJ002054 2-Nonene-4,6,8-triyn-1-ol, 2,3-Epoxide C9H6O2 146.036779 NA MeJP NA NA +MJ002055 2H-1-Benzopyran-2-one C9H6O2 146.036779 NA MeJP NA NA +MJ002056 3,4-Nonadiene-6,8-diynoic acid C9H6O2 146.036779 NA MeJP NA NA +MJ002057 4,6,8-Nonatriynoic acid C9H6O2 146.036779 NA MeJP NA NA +MJ002058 4-(1,3-Butadiynyl)-4-cyclopentene-1,3-diol, 1-Ketone C9H6O2 146.036779 NA MeJP NA NA +MJ002059 5-Benzofurancarboxaldehyde C9H6O2 146.036779 NA MeJP NA NA +MJ002060 6-Benzofurancarboxaldehyde C9H6O2 146.036779 NA MeJP NA NA +MJ002061 Cyclopenta[c]pyran-7-carboxaldehyde C9H6O2 146.036779 NA MeJP NA NA +MetaCyc00883 coumarin [coumarin;cumarin;] C9H6O2 146.036779 NA metacyc NA NA +C05851 Coumarin C9H6O2 146.0368 NA KEGG NA NA +MJ002062 (2-Carboxycyclopropyl)dimethylsulfonium C6H10O2S 146.04015 NA MeJP NA NA +MJ002063 5-(Methylthio)-2,3-pentanedione C6H10O2S 146.04015 NA MeJP NA NA +C11072 THTA C6H10O2S 146.0402 NA KEGG NA NA +C14473 1(2H)-Phthalazinone C8H6N2O 146.048 NA KEGG NA NA +MJ002064 4-Quinazolinol C8H6N2O 146.048012 NA MeJP NA NA +CJpos0280 Adipoylcarnitine [(M+H)-NC3H9-C4H4O2]+ C6H11O4 146.057375 C18rt(min)=5.25 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0281 Methylglutaric acid [(M+H)]+ C6H11O4 146.057375 C18rt(min)=5.15 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0280 Adipoylcarnitine [(M+H)-NC3H9-C4H4O2]+ C6H11O4 146.057375 C18rt(min)=5.25 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0281 Methylglutaric acid [(M+H)]+ C6H11O4 146.057375 C18rt(min)=5.15 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +EUR195 Adipic acid C6H10O4 146.0579 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR615 adipic acid [M-H]- 146.0579 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR195 Adipic acid C6H10O4 146.0579 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR615 adipic acid [M-H]- 146.0579 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR195 Adipic acid C6H10O4 146.0579 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR615 adipic acid [M-H]- 146.0579 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR195 Adipic acid C6H10O4 146.0579 Wishlist Inhousejuil11 NA NA +EUR615 adipic acid [M-H]- 146.0579 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00659 2-Aceto-2-hydroxybutanoate C6H10O4 146.0579 NA KEGG NA NA +C00772 Mevaldate C6H10O4 146.0579 NA KEGG NA NA +C00966 2-Dehydropantoate C6H10O4 146.0579 NA KEGG NA NA +C01053 (R)-4-Dehydropantoate C6H10O4 146.0579 NA KEGG NA NA +C04237 3-Hydroxy-3-methyl-2-oxopentanoic acid C6H10O4 146.0579 NA KEGG NA NA +C04239 5'-Dephospho-RNA 3'-mononucleotide C10H18O13P2R2 146.0579 NA KEGG NA NA +C06006 (S)-2-Aceto-2-hydroxybutanoate C6H10O4 146.0579 NA KEGG NA NA +C06104 Adipate C6H10O4 146.0579 NA KEGG NA NA +C06762 4-Hydroxy-2-oxohexanoic acid C6H10O4 146.0579 NA KEGG NA NA +C14463 (R)-3-Hydroxy-3-methyl-2-oxopentanoate C6H10O4 146.0579 NA KEGG NA NA +C16272 3-Hydroxy-5-oxohexanoate C6H10O4 146.0579 NA KEGG NA NA +HMDB00422 2-Methylglutaric acid C6H10O4 146.057907 NA HMDB2010 NA NA +HMDB00448 Adipic acid C6H10O4 146.057907 NA HMDB2010 NA NA +HMDB00752 Methylglutaric acid C6H10O4 146.057907 NA HMDB2010 NA NA +HMDB00858 Monomethyl glutaric acid C6H10O4 146.057907 NA HMDB2010 NA NA +HMDB02074 2,2-Dimethylsuccinic acid C6H10O4 146.057907 NA HMDB2010 NA NA +HMDB02173 Solerol C6H10O4 146.057907 NA HMDB2010 NA NA +HMDB06900 (S)-2-Aceto-2-hydroxybutanoic acid C6H10O4 146.057907 NA HMDB2010 NA NA +MJ002065 (R)-4-Dehydropantoate C6H10O4 146.057908 NA MeJP NA NA +MJ002066 (S)-2-Aceto-2-hydroxybutanoate C6H10O4 146.057908 NA MeJP NA NA +MJ002067 2-Dehydropantoate C6H10O4 146.057908 NA MeJP NA NA +MJ002068 4-Hydroxy-2-oxohexanoate C6H10O4 146.057908 NA MeJP NA NA +MJ002069 Adipate C6H10O4 146.057908 NA MeJP NA NA +MJ002070 1,4:3,6-Dianhydroglucitol C6H10O4 146.057908 NA MeJP NA NA +MJ002071 1,4:3,6-Dianhydromannitol C6H10O4 146.057908 NA MeJP NA NA +MJ002072 3,4-Dihydroxy-2-methylenebutanoic acid, Me ester C6H10O4 146.057908 NA MeJP NA NA +MJ002073 3,6-Dideoxy-erythro-hexopyranos-4-ulose C6H10O4 146.057908 NA MeJP NA NA +MJ002074 3-Hydroxy-3-methyl-5-oxopentanoic acid C6H10O4 146.057908 NA MeJP NA NA +MJ002075 3-Hydroxy-4-hydroxymethyl-4-pentenoic acid C6H10O4 146.057908 NA MeJP NA NA +MJ002076 4-(Hydroxymethyl)-4-cyclopentene-1,2,3-triol C6H10O4 146.057908 NA MeJP NA NA +MJ002077 4-Hydroxybutanoic acid; Ac C6H10O4 146.057908 NA MeJP NA NA +MJ002078 5-Cyclohexene-1,2,3,4-tetrol C6H10O4 146.057908 NA MeJP NA NA +MJ002079 5-Hydroxy-3-methoxy-2-pentenoic acid C6H10O4 146.057908 NA MeJP NA NA +MJ002080 Gloiosiphone B C6H10O4 146.057908 NA MeJP NA NA +MJ002081 Hexanedioic acid C6H10O4 146.057908 NA MeJP NA NA +MJ002082 Tetrahydro-5-hydroxy-2-hydroxymethyl-4H-pyran-4-one C6H10O4 146.057908 NA MeJP NA NA +MetaCyc00884 mevaldate [mevaldic acid;] C6H10O4 146.057909 NA metacyc NA NA +MetaCyc00885 (R)-4-Dehydropantoate [] C6H10O4 146.057909 NA metacyc NA NA +MetaCyc00886 3-hydroxy-5-oxohexanoate [] C6H10O4 146.057909 109138-72-9 metacyc NA NA +MetaCyc00887 adipate [adipic acid;hexanedioic acid;] C6H10O4 146.057909 124-04-9 metacyc NA NA +MetaCyc00888 2-dehydropantoate [ketopantoate;2-keto-pantoate;] C6H10O4 146.057909 NA metacyc NA NA +MetaCyc00889 2-aceto-2-hydroxy-butyrate [α-aceto-α-hydroxybutyrate;] C6H10O4 146.057909 3142-65-2 metacyc NA NA +HMDB00422 2-Methylglutaric acid C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB00422 PFEM_hmdb_metabocards_urine NA urine +HMDB00448 Adipic acid C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB00448 PFEM_hmdb_metabocards_urine NA urine +HMDB00752 Methylglutaric acid C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB00752 PFEM_hmdb_metabocards_urine NA urine +EUR195 Adipic acid C6H10O4 146.05791 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR615 adipic acid NA 146.05791 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +HMDB00448 Adipic acid C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB00448 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR195 Adipic acid C6H10O4 146.05791 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR615 adipic acid NA 146.05791 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00422 2-Methylglutaric acid C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB00422 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00448 Adipic acid C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB00448 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00752 Methylglutaric acid C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB00752 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR195 Adipic acid C6H10O4 146.05791 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR615 adipic acid NA 146.05791 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00422 2-Methylglutaric acid C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB00422 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00448 Adipic acid C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB00448 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00752 Methylglutaric acid C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB00752 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR195 Adipic acid C6H10O4 146.05791 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR615 adipic acid NA 146.05791 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00422 2-Methylglutaric acid C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB00422 HMDB NA NA +HMDB00448 Adipic acid C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB00448 HMDB NA NA +HMDB00752 Methylglutaric acid C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB00752 HMDB NA NA +HMDB00858 Monomethyl glutaric acid C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB00858 HMDB NA NA +HMDB02074 2,2-Dimethylsuccinic acid C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB02074 HMDB NA NA +HMDB02173 Solerole C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB02173 HMDB NA NA +HMDB06900 (S)-2-Aceto-2-hydroxybutanoate C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB06900 HMDB NA NA +EUR195 Adipic acid C6H10O4 146.05791 Wishlist HMDB NA NA +EUR615 adipic acid NA 146.05791 identifiés dans standard mixture NuGO HMDB NA NA +EUR195 Adipic acid C6H10O4 146.05791 Wishlist Inhouse_PFEM NA NA +EUR615 adipic acid NA 146.05791 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +EUR615 adipic acid NA 146.05791 147.06511 Inhouse_sept12 NA NA +HMDB00448 Adipic acid C6H10O4 146.05791 http://www.hmdb.ca/metabolites/HMDB00448 PFEM_hmdb_metabocards_blood NA blood +EUR195 Adipic acid C6H10O4 146.05791 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR615 adipic acid NA 146.05791 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR195 Adipic acid C6H10O4 146.05791 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR615 adipic acid NA 146.05791 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +HMDB00422 2-Methylglutaric acid C6H10O4 146.05791 HMDB00422 PFEM_hmdb_metabocards_official NA NA +HMDB00448 Adipic acid C6H10O4 146.05791 HMDB00448 PFEM_hmdb_metabocards_official NA NA +HMDB00752 Methylglutaric acid C6H10O4 146.05791 HMDB00752 PFEM_hmdb_metabocards_official NA NA +HMDB00858 Monomethyl glutaric acid C6H10O4 146.05791 HMDB00858 PFEM_hmdb_metabocards_official NA NA +HMDB02074 2,2-Dimethylsuccinic acid C6H10O4 146.05791 HMDB02074 PFEM_hmdb_metabocards_official NA NA +HMDB02173 Solerole C6H10O4 146.05791 HMDB02173 PFEM_hmdb_metabocards_official NA NA +HMDB06900 (S)-2-Aceto-2-hydroxybutanoate C6H10O4 146.05791 HMDB06900 PFEM_hmdb_metabocards_official NA NA +3319 NA HH 146.058 MH2+ Inhouse_peptide NA peptide +7598 ACE inhibitor GA 146.058 antioxidative Inhouse_peptide NA peptide +7600 ACE inhibitor AG 146.058 antioxidative Inhouse_peptide NA peptide +CJneg0122 2,2-dimethylsuccinic acid [(M-H)]- C6H9O4 146.058425 C18rt(min)=5.63 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0123 Adipic acid [M-H]- C6H9O4 146.058425 C18rt(min)=5.1 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0124 Methylglutaric acid [M-H]- C6H9O4 146.058425 C18rt(min)=5.15 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0125 Methylglutaric acid isomer [M-H]- C6H9O4 146.058425 C18rt(min)=4.21 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0122 2,2-dimethylsuccinic acid [(M-H)]- C6H9O4 146.058425 C18rt(min)=5.63 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0123 Adipic acid [M-H]- C6H9O4 146.058425 C18rt(min)=5.1 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0124 Methylglutaric acid [M-H]- C6H9O4 146.058425 C18rt(min)=5.15 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0125 Methylglutaric acid isomer [M-H]- C6H9O4 146.058425 C18rt(min)=4.21 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +JH038 Glutamine C5H10N2O3 146.0664 Rtobs1.28 PFEM_hmdb_metabocards_urine NA urine +JH038 Glutamine [M+H]+ C5H10N2O3 146.0664 1.28 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH038 Glutamine C5H10N2O3 146.0664 Rtobs1.28 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH038 Glutamine [M+H]+ C5H10N2O3 146.0664 1.28 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH038 Glutamine C5H10N2O3 146.0664 Rtobs1.28 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH038 Glutamine [M+H]+ C5H10N2O3 146.0664 1.28 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH038 Glutamine C5H10N2O3 146.0664 Rtobs1.28 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH038 Glutamine C5H10N2O3 146.0664 Rtobs1.28 HMDB NA NA +JH038 Glutamine C5H10N2O3 146.0664 Rtobs1.28 Inhouse_PFEM NA NA +JH038 Glutamine [M+H]+ C5H10N2O3 146.0664 1.28 Inhousejuil11 NA NA +JH038 Glutamine C5H10N2O3 146.0664 Rtobs1.28 PFEM_hmdb_metabocards_blood NA blood +JH038 Glutamine C5H10N2O3 146.0664 Rtobs1.28 PFEM_hmdb_metabocards_official NA NA +CJpos0282 Glutamine [M+H]+ C5H11O3N2 146.068575 C18rt(min)=0.87 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0283 Dihydrothymine isomer [(M+H)+(H2O)]+ C5H11N2O3 146.068575 C18rt(min)=5.85 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0282 Glutamine [M+H]+ C5H11O3N2 146.068575 C18rt(min)=0.87 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0283 Dihydrothymine isomer [(M+H)+(H2O)]+ C5H11N2O3 146.068575 C18rt(min)=5.85 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +LABER013 Glycine NA 146.0691 RT 2.01 fragt 147, 84, 41, 56, 130 PFEM_hmdb_metabocards_urine NA urine +LABER013 Glycine NA 146.0691 RT 2.01 fragt 147, 84, 41, 56, 130 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER013 Glycine NA 146.0691 RT 2.01 fragt 147, 84, 41, 56, 130 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER013 Glycine NA 146.0691 RT 2.01 fragt 147, 84, 41, 56, 130 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER013 Glycine NA 146.0691 RT 2.01 fragt 147, 84, 41, 56, 130 HMDB NA NA +LABER013 Glycine NA 146.0691 RT 2.01 fragt 147, 84, 41, 56, 130 Inhouse_PFEM NA NA +LABER013 Glycine NA 146.0691 RT 2.01 fragt 147, 84, 41, 56, 130 Inhousejuil11 NA NA +C00064 L-Glutamine C5H10N2O3 146.0691 NA KEGG NA NA +C00303 Glutamine C5H10N2O3 146.0691 NA KEGG NA NA +C00304 Kanamycin C18H33N3O10 146.0691 NA KEGG NA NA +C00819 D-Glutamine C5H10N2O3 146.0691 NA KEGG NA NA +C05100 3-Ureidoisobutyrate C5H10N2O3 146.0691 NA KEGG NA NA +C05102 alpha-Hydroxy fatty acid C2H3O3R 146.0691 NA KEGG NA NA +C16673 Isoglutamine C5H10N2O3 146.0691 NA KEGG NA NA +PJ000011 Q C5H10N2O3 146.0691 NA PeJP NA NA +LABER013 Glycine NA 146.0691 RT 2.01 fragt 147, 84, 41, 56, 130 PFEM_hmdb_metabocards_blood NA blood +LABER013 Glycine NA 146.0691 RT 2.01 fragt 147, 84, 41, 56, 130 PFEM_hmdb_metabocards_official NA NA +HMDB00641 L-Glutamine C5H10N2O3 146.069138 NA HMDB2010 NA NA +HMDB02031 Ureidoisobutyric acid C5H10N2O3 146.069138 NA HMDB2010 NA NA +HMDB03423 D-Glutamine C5H10N2O3 146.069138 NA HMDB2010 NA NA +HMDB06899 Alanylglycine C5H10N2O3 146.069138 NA HMDB2010 NA NA +HMDB00641 L-Glutamine C5H10N2O3 146.06914 http://www.hmdb.ca/metabolites/HMDB00641 PFEM_hmdb_metabocards_urine NA urine +HMDB02031 Ureidoisobutyric acid C5H10N2O3 146.06914 http://www.hmdb.ca/metabolites/HMDB02031 PFEM_hmdb_metabocards_urine NA urine +HMDB00641 L-Glutamine C5H10N2O3 146.06914 http://www.hmdb.ca/metabolites/HMDB00641 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00641 L-Glutamine C5H10N2O3 146.06914 http://www.hmdb.ca/metabolites/HMDB00641 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02031 Ureidoisobutyric acid C5H10N2O3 146.06914 http://www.hmdb.ca/metabolites/HMDB02031 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00641 L-Glutamine C5H10N2O3 146.06914 http://www.hmdb.ca/metabolites/HMDB00641 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02031 Ureidoisobutyric acid C5H10N2O3 146.06914 http://www.hmdb.ca/metabolites/HMDB02031 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00641 L-Glutamine C5H10N2O3 146.06914 http://www.hmdb.ca/metabolites/HMDB00641 HMDB NA NA +HMDB02031 Ureidoisobutyric acid C5H10N2O3 146.06914 http://www.hmdb.ca/metabolites/HMDB02031 HMDB NA NA +HMDB03423 D-Glutamine C5H10N2O3 146.06914 http://www.hmdb.ca/metabolites/HMDB03423 HMDB NA NA +HMDB00641 L-Glutamine C5H10N2O3 146.06914 NA ;SYN:6-Amino-n-hexanoic acid; 6-Aminocaproic acid; 6-Aminohexanoate; 6-amino-Hexanoic acid; 6-aminohexanoic acid; Acepramin; Acepramine; Acikaprin; Afibrin; Amicar; Amikar; Aminokapron; Atsemin; Caplamin; Capracid; Capramol; Capranol; Caprocid; Caprolisin; Epsamon; Epsicapron; Epsikapron; Epsillon-Aminocaproic acid' Epsilcapramin; Epsilcapramine; Epsilon S; H-6-Ahx-OH; H-EAhx-OH; H-epsilon-Acp-OH; Hemocaprol; Hemopar; Hepin; Ipsilon; Respramin; e-Amino-n-hexanoic acid; e-Aminocaproate; e-Aminocaproic acid USP; e-Aminohexanoic acid; e-Leucine; e-Norleucine; epsilon-Aminocaproic acid; epsilon-Norleucine; epsilon-S; omega-Aminocaproic acid; omega-Aminohexanoic acid; w-Aminocaproic acid; w-Aminohexanoic acid; epsilon-Amino-n-hexanoic acid; epsilon-Aminocaproate; epsilon-Aminocaproic acid USP; epsilon-Aminohexanoic acid; epsilon-Leucine; 6-Amino-n-hexanoate; 6-Aminocaproate; 6-amino-Hexanoate; Epsillon-Aminocaproate; e-Amino-n-hexanoate; e-Aminocaproic acid; e-Aminohexanoate; omega-Aminocaproate; omega-Aminohexanoate; w-Aminocaproate; w-Aminohexanoate; epsilon-Amino-n-hexanoate; epsilon-Aminohexanoate; Epsillon-Aminocaproic acidH2Blood Inhouse_peptide NA peptide +HMDB00641 L-Glutamine C5H10N2O3 146.06914 http://www.hmdb.ca/metabolites/HMDB00641 PFEM_hmdb_metabocards_blood NA blood +HMDB00641 L-Glutamine C5H10N2O3 146.06914 HMDB00641 PFEM_hmdb_metabocards_official NA NA +HMDB02031 Ureidoisobutyric acid C5H10N2O3 146.06914 HMDB02031 PFEM_hmdb_metabocards_official NA NA +HMDB03423 D-Glutamine C5H10N2O3 146.06914 HMDB03423 PFEM_hmdb_metabocards_official NA NA +MJ002083 2,3-Diaminopropanoic acid, N3-Ac C5H10N2O3 146.069142 NA MeJP NA NA +MJ002084 Asparagine, N-Me C5H10N2O3 146.069142 NA MeJP NA NA +MJ002085 Glutamine C5H10N2O3 146.069142 NA MeJP NA NA +MJ002086 Hexahydro-5-hydroxy-3-pyridazinecarboxylic acid C5H10N2O3 146.069142 NA MeJP NA NA +MJ002087 Isoglutamine C5H10N2O3 146.069142 NA MeJP NA NA +MJ002088 3-Ureidoisobutyrate C5H10N2O3 146.069142 NA MeJP NA NA +MJ002089 D-Glutamine C5H10N2O3 146.069142 NA MeJP NA NA +MJ002090 L-Glutamine C5H10N2O3 146.069142 NA MeJP NA NA +MetaCyc00890 N-methyl-N-carbamoyl-D-alanine [methyl-carbamoyl-D-alanine;] C5H10N2O3 146.069142 NA metacyc NA NA +MetaCyc00891 isoglutamine [] C5H10N2O3 146.069142 NA metacyc NA NA +MetaCyc00892 ala-gly [alanyl-glycine;] C5H10N2O3 146.069142 NA metacyc NA NA +MetaCyc00893 3-ureido-isobutyrate [] C5H10N2O3 146.069142 NA metacyc NA NA +MetaCyc00894 L-glutamine [Q;proglumide;glum;gln;glutamine;glumin;2-aminoglutaramic acid;glutamic acid 5-amide;] C5H10N2O3 146.069142 56-85-9 metacyc NA NA +MetaCyc00895 D-glutamine [glutamide;] C5H10N2O3 146.069142 5959-95-5 metacyc NA NA +PJ000012 GA C5H10N2O3 146.0692 NA PeJP NA NA +CJneg0126 Dihydrothymine isomer [(M-H)+(H2O)]- C5H9N2O3 146.069725 C18rt(min)=5.85 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0127 Glutamine [M-H]- C5H9O3N2 146.069725 C18rt(min)=0.87 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0126 Dihydrothymine isomer [(M-H)+(H2O)]- C5H9N2O3 146.069725 C18rt(min)=5.85 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0127 Glutamine [M-H]- C5H9O3N2 146.069725 C18rt(min)=0.87 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +JH165 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-HCOOH-2OH]+ NA 146.0726 13.56 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH165 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-HCOOH-2OH]+ NA 146.0726 13.56 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH165 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-HCOOH-2OH]+ NA 146.0726 13.56 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH165 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-HCOOH-2OH]+ NA 146.0726 13.56 Inhousejuil11 NA NA +MJ002091 2,6,8-Decatrien-4-ynal C10H10O 146.073164 NA MeJP NA NA +MJ002092 2,8-Decadiene-4,6-diyn-1-ol C10H10O 146.073164 NA MeJP NA NA +MJ002093 2-Decene-4,6-diynal C10H10O 146.073164 NA MeJP NA NA +MJ002094 3,4-Decadiene-6,8-diyn-1-ol C10H10O 146.073164 NA MeJP NA NA +MJ002095 4,5-Decadiene-7,9-diyn-1-ol C10H10O 146.073164 NA MeJP NA NA +MJ002096 4,5-Dimethylbenzofuran C10H10O 146.073164 NA MeJP NA NA +MJ002097 4,6,8-Decatriyn-1-ol C10H10O 146.073164 NA MeJP NA NA +MJ002098 4-(1-Methylethenyl)benzaldehyde C10H10O 146.073164 NA MeJP NA NA +MJ002099 4-Indanecarboxaldehyde C10H10O 146.073164 NA MeJP NA NA +MJ002100 4-Phenyl-2-butenal C10H10O 146.073164 NA MeJP NA NA +MJ002101 4-Phenyl-3-buten-2-one C10H10O 146.073164 NA MeJP NA NA +MJ002102 5,7,9-Decatriyn-1-ol C10H10O 146.073164 NA MeJP NA NA +MJ002103 5-Indanecarboxaldehyde C10H10O 146.073164 NA MeJP NA NA +HMDB03701 Dimethylbenzimidazole C9H10N2 146.084396 NA HMDB2010 NA NA +MJ002104 Dimethylbenzimidazole C9H10N2 146.084398 NA MeJP NA NA +MJ002105 1H-Indole-3-methanamine C9H10N2 146.084398 NA MeJP NA NA +MJ002106 2-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine C9H10N2 146.084398 NA MeJP NA NA +MJ002107 Myosmine C9H10N2 146.084398 NA MeJP NA NA +MetaCyc00896 dimethylbenzimidazole [DMB;5,6-Dimethylbenzimidazole;] C9H10N2 146.084398 582-60-5 metacyc NA NA +C03114 Dimethylbenzimidazole C9H10N2 146.0844 NA KEGG NA NA +C10160 Myosmine C9H10N2 146.0844 NA KEGG NA NA +HMDB02207 3-Hydroxyisoheptanoic acid C7H14O3 146.09428 http://www.hmdb.ca/metabolites/HMDB02207 HMDB NA NA +HMDB02207 3-Hydroxyisoheptanoic acid C7H14O3 146.09428 HMDB02207 PFEM_hmdb_metabocards_official NA NA +MetaCyc00897 ethyl-(2R)-methyl-(3S)-hydroxybutanoate [] C7H14O3 146.094294 NA metacyc NA NA +HMDB02207 3-Hydroxyisoheptanoic acid C7H14O3 146.094299 NA HMDB2010 NA NA +CJpos0284 Lysine [M+H]+ C6H15O2N2 146.104975 C18rt(min)=0.8 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0284 Lysine [M+H]+ C6H15O2N2 146.104975 C18rt(min)=0.8 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +LABER006 Lysine NA 146.1055 RT 1.6 fragt 147, 84, 130 PFEM_hmdb_metabocards_urine NA urine +LABER006 Lysine NA 146.1055 RT 1.6 fragt 147, 84, 130 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER006 Lysine NA 146.1055 RT 1.6 fragt 147, 84, 130 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER006 Lysine NA 146.1055 RT 1.6 fragt 147, 84, 130 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER006 Lysine NA 146.1055 RT 1.6 fragt 147, 84, 130 HMDB NA NA +LABER006 Lysine NA 146.1055 RT 1.6 fragt 147, 84, 130 Inhouse_PFEM NA NA +LABER006 Lysine NA 146.1055 RT 1.6 fragt 147, 84, 130 Inhousejuil11 NA NA +C00047 L-Lysine C6H14N2O2 146.1055 NA KEGG NA NA +C00739 D-Lysine C6H14N2O2 146.1055 NA KEGG NA NA +C01142 (3S)-3,6-Diaminohexanoate C6H14N2O2 146.1055 NA KEGG NA NA +C01186 (3S,5S)-3,5-Diaminohexanoate C6H14N2O2 146.1055 NA KEGG NA NA +C05161 2,5-Diaminohexanoate C6H14N2O2 146.1055 NA KEGG NA NA +C16440 Lysine C6H14N2O2 146.1055 NA KEGG NA NA +PJ000013 K C6H14N2O2 146.1055 NA PeJP NA NA +LABER006 Lysine NA 146.1055 RT 1.6 fragt 147, 84, 130 PFEM_hmdb_metabocards_blood NA blood +LABER006 Lysine NA 146.1055 RT 1.6 fragt 147, 84, 130 PFEM_hmdb_metabocards_official NA NA +MJ002108 (3S)-3,6-Diaminohexanoate C6H14N2O2 146.105527 NA MeJP NA NA +MJ002109 (3S,5S)-3,5-Diaminohexanoate C6H14N2O2 146.105527 NA MeJP NA NA +MJ002110 2,5-Diaminohexanoate C6H14N2O2 146.105527 NA MeJP NA NA +MJ002111 D-Lysine C6H14N2O2 146.105527 NA MeJP NA NA +MJ002112 L-Lysine C6H14N2O2 146.105527 NA MeJP NA NA +MJ002113 2,4-Diamino-2,3,4,6-tetradeoxy-arabino-hexose C6H14N2O2 146.105527 NA MeJP NA NA +MJ002114 2,5-Diaminopentanoic acid, N5-Me C6H14N2O2 146.105527 NA MeJP NA NA +MJ002115 2,6-Diamino-2,3,4,6-tetradeoxy-erythro-hexose C6H14N2O2 146.105527 NA MeJP NA NA +MJ002116 3,5-Diaminohexanoic acid C6H14N2O2 146.105527 NA MeJP NA NA +MJ002117 3,6-Diaminohexanoic acid C6H14N2O2 146.105527 NA MeJP NA NA +MJ002118 Lysine C6H14N2O2 146.105527 NA MeJP NA NA +MetaCyc00898 (3S)-3,6-diaminohexanoate [L-β-lysine;] C6H14N2O2 146.105528 504-21-2 metacyc NA NA +MetaCyc00899 (3S,5S)-3,5-diaminohexanoate [L-erythro-3,5-diaminohexanoate;(3S,5S)-3,5-diaminocaproate;L-erythro-3,5-diaminocaproate;] C6H14N2O2 146.105528 34281-55-5 metacyc NA NA +MetaCyc00900 2,5-diaminohexanoate [] C6H14N2O2 146.105528 NA metacyc NA NA +MetaCyc00901 L-lysine [K;lysine;L-lys;lys;2,6-diaminohexanoic acid;lysine acid;] C6H14N2O2 146.105528 56-87-1 metacyc NA NA +MetaCyc00902 D-lysine [D-2,6-diaminohexanoic acid;] C6H14N2O2 146.105528 923-27-3 metacyc NA NA +HMDB00182 L-Lysine C6H14N2O2 146.10553 http://www.hmdb.ca/metabolites/HMDB00182 PFEM_hmdb_metabocards_urine NA urine +HMDB00182 L-Lysine C6H14N2O2 146.10553 http://www.hmdb.ca/metabolites/HMDB00182 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00182 L-Lysine C6H14N2O2 146.10553 http://www.hmdb.ca/metabolites/HMDB00182 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00182 L-Lysine C6H14N2O2 146.10553 http://www.hmdb.ca/metabolites/HMDB00182 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00182 L-Lysine C6H14N2O2 146.10553 http://www.hmdb.ca/metabolites/HMDB00182 HMDB NA NA +HMDB03405 D-Lysine C6H14N2O2 146.10553 http://www.hmdb.ca/metabolites/HMDB03405 HMDB NA NA +HMDB00182 L-Lysine C6H14N2O2 146.10553 Tripeptides ;SYN:(Des-Gly)-Glutathione; 3GC; 5-L-Glutamyl-L-cysteine; H-Glu(Cys-OH)-OH; H-gamma-Glu-Cys-OH; L-g-Glutamyl-L-cysteine; L-gamma-Glutamylcysteine; N-(1-carboxy-2-mercaptoethyl)-L-Glutamine; N-L-gamma-glutamyl-L-Cysteine; g-Glutamylcysteine; g-L-Glutamyl-L-cysteine; gamma-Glu-cys; gamma-Glutamylcysteine; gamma-L-Glutamyl-L-cysteine; xN-L-g-glutamyl-Glutamine; L-gamma-Glutamyl-L-cysteine; xN-L-gamma-glutamyl-Glutamine; 5-L-glutamylcysteineH2Blood; Urine Inhouse_peptide NA peptide +HMDB00182 L-Lysine C6H14N2O2 146.10553 http://www.hmdb.ca/metabolites/HMDB00182 PFEM_hmdb_metabocards_blood NA blood +HMDB00182 L-Lysine C6H14N2O2 146.10553 HMDB00182 PFEM_hmdb_metabocards_official NA NA +HMDB03405 D-Lysine C6H14N2O2 146.10553 HMDB03405 PFEM_hmdb_metabocards_official NA NA +HMDB00182 L-Lysine C6H14N2O2 146.10553 NA HMDB2010 NA NA +HMDB03405 D-Lysine C6H14N2O2 146.10553 NA HMDB2010 NA NA +HMDB12114 (3S)-3,6-Diaminohexanoate C6H14N2O2 146.10553 NA HMDB2010 NA NA +HMDB12115 (3S,5S)-3,5-Diaminohexanoate C6H14N2O2 146.10553 NA HMDB2010 NA NA +MJ002119 3-(1,3-Butadienyl)-4-vinylcyclopentene C11H14 146.10955 NA MeJP NA NA +MJ002120 6-(1,3-Butadienyl)-1,4-cycloheptadiene C11H14 146.10955 NA MeJP NA NA +HMDB00895 Acetylcholine C7H16NO2 146.1181 http://www.hmdb.ca/metabolites/HMDB00895 PFEM_hmdb_metabocards_urine NA urine +HMDB01161 4-Trimethylammoniobutanoic acid C7H16NO2 146.1181 http://www.hmdb.ca/metabolites/HMDB01161 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00895 Acetylcholine C7H16NO2 146.1181 http://www.hmdb.ca/metabolites/HMDB00895 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00895 Acetylcholine C7H16NO2 146.1181 http://www.hmdb.ca/metabolites/HMDB00895 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00895 Acetylcholine C7H16NO2 146.1181 http://www.hmdb.ca/metabolites/HMDB00895 HMDB NA NA +HMDB01161 4-Trimethylammoniobutanoic acid C7H16NO2 146.1181 http://www.hmdb.ca/metabolites/HMDB01161 HMDB NA NA +C01181 4-Trimethylammoniobutanoate C7H16NO2 146.1181 NA KEGG NA NA +C01996 Acetylcholine C7H16NO2 146.1181 NA KEGG NA NA +C01997 Histone N6-acetyl-L-lysine C9H15N3O3R2 146.1181 NA KEGG NA NA +HMDB01161 4-Trimethylammoniobutanoic acid C7H16NO2 146.1181 http://www.hmdb.ca/metabolites/HMDB01161 PFEM_hmdb_metabocards_blood NA blood +HMDB00895 Acetylcholine C7H16NO2 146.1181 HMDB00895 PFEM_hmdb_metabocards_official NA NA +HMDB01161 4-Trimethylammoniobutanoic acid C7H16NO2 146.1181 HMDB01161 PFEM_hmdb_metabocards_official NA NA +HMDB01161 4-Trimethylammoniobutanoic acid C7H16NO2 146.1181 NA ;SYN:Arginic acid; Argininic acidH2Blood Inhouse_peptide NA peptide +HMDB00895 Acetylcholine C7H16NO2 146.118103 NA HMDB2010 NA NA +HMDB01161 4-Trimethylammoniobutanoic acid C7H16NO2 146.118103 NA HMDB2010 NA NA +MJ002121 4-Trimethylammoniobutanoate C7H16NO2 146.118103 NA MeJP NA NA +MJ002122 Acetylcholine C7H16NO2 146.118103 NA MeJP NA NA +MetaCyc00903 acetylcholine [Ach;O-Acetylcholine;] C7H16N1O2 146.118104 51-84-3 metacyc NA NA +MJ002123 1,3-Octanediol C8H18O2 146.130679 NA MeJP NA NA +MJ002124 2,3-Octanediol C8H18O2 146.130679 NA MeJP NA NA +C14218 Octane-1,8-diol C8H18O2 146.1307 NA KEGG NA NA +C14271 2-Ethyl-1,3-hexanediol C8H18O2 146.1307 NA KEGG NA NA +C14273 1,2-Octanediol C8H18O2 146.1307 NA KEGG NA NA +C07166 Trientine C6H18N4 146.1531 NA KEGG NA NA +C07167 Transferred to D00389 C6H18N4 146.1531 NA KEGG NA NA +MJ002125 Triethylenetetramine C6H18N4 146.153146 NA MeJP NA NA +CJpos0285 Spermidine [M+H]+ (13C) C6[13]CH20N3 146.160675 C18rt(min)=0.71 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0285 Spermidine [M+H]+ (13C) C6[13]CH20N3 146.160675 C18rt(min)=0.71 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +7692 ACE inhibitor KF 146.581 MH2+ Inhouse_peptide NA peptide +8248 Renin inhibitor KF 146.581 MH2+ Inhouse_peptide NA peptide +8249 CaMPDE inhibitor KF 146.581 MH2+ Inhouse_peptide NA peptide +MJ002126 Chromium phosphate (CrPO4) CrO4P 146.893931 NA MeJP NA NA +MJ002127 3,5-Dichloropyridine C5H3Cl2N 146.964254 NA MeJP NA NA +C08736 2-Chloro-4,6-dihydroxy-1,3,5-triazine C3H2ClN3O2 146.9836 NA KEGG NA NA +CJpos0286 Taurine (and isomer) [M+Na]+ C2H7O3NNaS 146.996075 C18rt(min)=0.88 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0286 Taurine (and isomer) [M+Na]+ C2H7O3NNaS 146.996075 C18rt(min)=0.88 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +JH014 Taurine [M+Na]+ NA 146.9968 1.28 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH014 Taurine [M+Na]+ NA 146.9968 1.28 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH014 Taurine [M+Na]+ NA 146.9968 1.28 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH014 Taurine [M+Na]+ NA 146.9968 1.28 Inhousejuil11 NA NA +MJ002128 Oxobutanedioic acid; Oxo-form, Oxime C4H5NO5 147.016772 NA MeJP NA NA +MetaCyc00904 threo-3-hydroxy-L-aspartate [L-threo-3-hydroxyaspartate;] C4H5N1O5 147.016772 NA metacyc NA NA +MJ002129 1-Isothiocyanato-3-(methylthio)propane C5H9NS2 147.01764 NA MeJP NA NA +CJneg0128 ?-Ketoglutaric acid [(M-H)]- (13C) C413CH5O5 147.025425 C18rt(min)=1.03 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0128 ?-Ketoglutaric acid [(M-H)]- (13C) C413CH5O5 147.025425 C18rt(min)=1.03 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C05579 Indole-5,6-quinone C8H5NO2 147.032 NA KEGG NA NA +C11129 Isatin C8H5NO2 147.032 NA KEGG NA NA +HMDB06779 Indole-5,6-quinone C8H5NO2 147.032028 NA HMDB2010 NA NA +MJ002130 1H-Indole-2,3-dione C8H5NO2 147.032028 NA MeJP NA NA +MJ002131 8-Hydroxy-2,4,6-octatriynoic acid; Amide C8H5NO2 147.032028 NA MeJP NA NA +MetaCyc00905 isatin [] C8H5N1O2 147.032028 NA metacyc NA NA +HMDB06779 Indole-5,6-quinone C8H5NO2 147.03203 http://www.hmdb.ca/metabolites/HMDB06779 HMDB NA NA +HMDB06779 Indole-5,6-quinone C8H5NO2 147.03203 HMDB06779 PFEM_hmdb_metabocards_official NA NA +MJ002132 3-Thiomorpholinecarboxylic acid C5H9NO2S 147.035399 NA MeJP NA NA +MJ002133 Glycothiomin C5H9NO2S 147.035399 NA MeJP NA NA +MJ002134 Tetrahydro-2H-1,3-thiazine-4-carboxylic acid C5H9NO2S 147.035399 NA MeJP NA NA +MetaCyc00906 thiomorpholine-3-carboxylate [] C5H9N1O2S1 147.035399 20960-92-3 metacyc NA NA +C03901 Thiomorpholine 3-carboxylate C5H9NO2S 147.0354 NA KEGG NA NA +C03903 Yeast alpha-factor pheromone C5H9NO2S 147.0354 NA KEGG NA NA +C03904 alpha-N-Peptidyl-L-glutamate C9H13N3O6R2 147.0354 NA KEGG NA NA +C03905 alpha-N-Peptidyl-L-glutamine C9H14N4O5R2 147.0354 NA KEGG NA NA +C14592 N-Methyl-N'-nitro-N-nitrosoguanidine C2H5N5O3 147.0392 NA KEGG NA NA +EUR366 Folate F3 F3 147.042075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR366 Folate F3 NA 147.042075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR366 Folate F3 F3 147.042075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR366 Folate F3 NA 147.042075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR366 Folate F3 F3 147.042075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR366 Folate F3 NA 147.042075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR366 Folate F3 F3 147.042075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR366 Folate F3 F3 147.042075 standards wishlist analysés sur QTOF HMDB NA NA +EUR366 Folate F3 F3 147.042075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR366 Folate F3 NA 147.042075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR366 Folate F3 F3 147.042075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR366 Folate F3 F3 147.042075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB00930 trans-Cinnamic acid C9H7O2 147.0446 http://www.hmdb.ca/metabolites/HMDB00930 HMDB NA NA +HMDB00930 trans-Cinnamic acid C9H7O2 147.0446 HMDB00930 PFEM_hmdb_metabocards_official NA NA +EUR219 Acide Glutamique F1 NA 147.051575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR219 Acide Glutamique F1 NA 147.051575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR219 Acide Glutamique F1 NA 147.051575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR219 Acide Glutamique F1 NA 147.051575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +JH040 Glutamic acid C5H9NO4 147.0521 Rtobs1.23 PFEM_hmdb_metabocards_urine NA urine +JH040 Glutamic acid [M+H]+ C5H9NO4 147.0521 1.23 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH040 Glutamic acid C5H9NO4 147.0521 Rtobs1.23 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH040 Glutamic acid [M+H]+ C5H9NO4 147.0521 1.23 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH040 Glutamic acid C5H9NO4 147.0521 Rtobs1.23 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH040 Glutamic acid [M+H]+ C5H9NO4 147.0521 1.23 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH040 Glutamic acid C5H9NO4 147.0521 Rtobs1.23 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH040 Glutamic acid C5H9NO4 147.0521 Rtobs1.23 HMDB NA NA +JH040 Glutamic acid C5H9NO4 147.0521 Rtobs1.23 Inhouse_PFEM NA NA +JH040 Glutamic acid [M+H]+ C5H9NO4 147.0521 1.23 Inhousejuil11 NA NA +JH040 Glutamic acid C5H9NO4 147.0521 Rtobs1.23 PFEM_hmdb_metabocards_blood NA blood +JH040 Glutamic acid C5H9NO4 147.0521 Rtobs1.23 PFEM_hmdb_metabocards_official NA NA +CJpos0287 O-Acetylserine (and isomer) [(M+H)]+ C5H10NO4 147.052575 C18rt(min)=0.89 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0287 O-Acetylserine (and isomer) [(M+H)]+ C5H10NO4 147.052575 C18rt(min)=0.89 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ002135 2-Amino-3-methylbutanedioic acid C5H9NO4 147.053157 NA MeJP NA NA +MJ002136 2-Amino-5-hydroxy-4-oxopentanoic acid C5H9NO4 147.053157 NA MeJP NA NA +MJ002137 3,4-Dihydroxy-2-pyrrolidinecarboxylic acid C5H9NO4 147.053157 NA MeJP NA NA +MJ002138 3-(Carboxymethylamino)propanoic acid C5H9NO4 147.053157 NA MeJP NA NA +MJ002139 3-Aminopentanedioic acid C5H9NO4 147.053157 NA MeJP NA NA +MJ002140 3-Nitropropanoic acid; Et ester C5H9NO4 147.053157 NA MeJP NA NA +MJ002141 Aspartic acid, N-Me C5H9NO4 147.053157 NA MeJP NA NA +MJ002142 Glutamic acid C5H9NO4 147.053157 NA MeJP NA NA +MJ002143 Methyl [(acetylamino)oxy]acetate C5H9NO4 147.053157 NA MeJP NA NA +MJ002144 N-Carboxymethylalanine C5H9NO4 147.053157 NA MeJP NA NA +MJ002145 Serine, O-Ac C5H9NO4 147.053157 NA MeJP NA NA +MJ002146 2-Oxo-4-hydroxy-5-aminovalerate C5H9NO4 147.053157 NA MeJP NA NA +MJ002147 D-Glutamate C5H9NO4 147.053157 NA MeJP NA NA +MJ002148 Glutamate C5H9NO4 147.053157 NA MeJP NA NA +MJ002149 Isoglutamate C5H9NO4 147.053157 NA MeJP NA NA +MJ002150 L-4-Hydroxyglutamate semialdehyde C5H9NO4 147.053157 NA MeJP NA NA +MJ002151 L-Glutamate C5H9NO4 147.053157 NA MeJP NA NA +MJ002152 L-threo-3-Methylaspartate C5H9NO4 147.053157 NA MeJP NA NA +MJ002153 O-Acetyl-L-serine C5H9NO4 147.053157 NA MeJP NA NA +MetaCyc00907 N-(Carboxymethyl)-D-alanine [] C5H9N1O4 147.053158 NA metacyc NA NA +MetaCyc00908 O-acetyl-L-serine [O3-acetyl-L-serine;acetylserine;O-acetylserine;] C5H9N1O4 147.053158 66638-22-0 metacyc NA NA +MetaCyc00909 2-keto-4-hydroxy-5-aminovalerate [2-keto-4-hydroxy-5-amino-valerate;2-keto-4-hdyroxy-5-aminovalerate;] C5H9N1O4 147.053158 NA metacyc NA NA +MetaCyc00910 L-Glutamate [] C5H9N1O4 147.053158 NA metacyc NA NA +MetaCyc00911 L-glutamate [1-amino-propane-1,3-dicarboxylic acid;glutacid;glutaminic acid;L-glutamic acid;α-aminoglutaric acid;E;glt;glu;glut;glutamate;L-glu;2-aminopentanedioic acid;] C5H9N1O4 147.053158 56-86-0 metacyc NA NA +MetaCyc00912 D-glutamate [D-glutamic acid;] C5H9N1O4 147.053158 6893-26-1 metacyc NA NA +MetaCyc00913 (2S, 3S)-3-methylaspartate [3-methylaspartate;β-methylaspartate;L-threo-3-methylaspartate;L-threo-3-methyl-aspartate;] C5H9N1O4 147.053158 31571-69-4 metacyc NA NA +MetaCyc00914 L-4-hydroxyglutamate semialdehyde [4-hydroxyglutamate semialdehyde;] C5H9N1O4 147.053158 NA metacyc NA NA +HMDB00148 L-Glutamic acid C5H9NO4 147.05316 http://www.hmdb.ca/metabolites/HMDB00148 PFEM_hmdb_metabocards_urine NA urine +HMDB02931 N-Acetylserine C5H9NO4 147.05316 http://www.hmdb.ca/metabolites/HMDB02931 PFEM_hmdb_metabocards_urine NA urine +HMDB00148 L-Glutamic acid C5H9NO4 147.05316 http://www.hmdb.ca/metabolites/HMDB00148 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03339 D-Glutamate C5H9NO4 147.05316 http://www.hmdb.ca/metabolites/HMDB03339 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00148 L-Glutamic acid C5H9NO4 147.05316 http://www.hmdb.ca/metabolites/HMDB00148 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02931 N-Acetylserine C5H9NO4 147.05316 http://www.hmdb.ca/metabolites/HMDB02931 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00148 L-Glutamic acid C5H9NO4 147.05316 http://www.hmdb.ca/metabolites/HMDB00148 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02931 N-Acetylserine C5H9NO4 147.05316 http://www.hmdb.ca/metabolites/HMDB02931 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00148 L-Glutamic acid C5H9NO4 147.05316 http://www.hmdb.ca/metabolites/HMDB00148 HMDB NA NA +HMDB02393 N-Methyl-D-aspartic acid C5H9NO4 147.05316 http://www.hmdb.ca/metabolites/HMDB02393 HMDB NA NA +HMDB02931 N-Acetylserine C5H9NO4 147.05316 http://www.hmdb.ca/metabolites/HMDB02931 HMDB NA NA +HMDB03011 O-Acetylserine C5H9NO4 147.05316 http://www.hmdb.ca/metabolites/HMDB03011 HMDB NA NA +HMDB03339 D-Glutamate C5H9NO4 147.05316 http://www.hmdb.ca/metabolites/HMDB03339 HMDB NA NA +HMDB06556 L-4-Hydroxyglutamate semialdehyde C5H9NO4 147.05316 http://www.hmdb.ca/metabolites/HMDB06556 HMDB NA NA +HMDB00148 L-Glutamic acid C5H9NO4 147.05316 NA ;SYN:(-)-tryptophan; (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; (S)-1H-Indole-3-alanine; (S)-2-Amino-3-(3-indolyl)propionic acid; (S)-a-Amino-1H-indole-3-propanoate; (S)-a-Amino-1H-indole-3-propanoic acid; (S)-a-Aminoindole-3-propionate; (S)-a-Aminoindole-3-propionic acid; (S)-alpha-Amino-1H-indole-3-propanoic acid; (S)-alpha-Amino-beta-(3-indolyl)-propionic acid; (S)-alpha-Aminoindole-3-propionic acid; (l)-tryptophan; (s)-a-amino-b-indolepropionate; (s)-a-amino-b-indolepropionic acid; (s)-alpha-amino-beta-indolepropionic acid; (s)-tryptophan; 1-beta-3-Indolylalanine; 1H-Indole-3-Alanine; 1beta-3-Indolylalanine; 2-Amino-3-indolylpropanoate; 2-Amino-3-indolylpropanoic acid; 3-Indol-3-ylalanine; Ardeytropin; H-TRP-oh; Indole-3-alanine; Kalma; L-(-)-tryptophan; L-Tryptophan; 3-(1H-indol-3-yl)-L-Alanine; L-alpha-amino-3-indolepropionic acid; L-alpha-aminoindole-3-propionic acid; L-beta-3-indolylalanine; L-tryptofan; L-tryptophane; Lopac-T-0254; Lyphan; Optimax; Pacitron; Sedanoct; Triptofano; Trofan; Tryptacin; Tryptan; Tryptophan; Tryptophane; Tryptophanum; alpha'-Amino-3-indolepropionic acid; alpha-Aminoindole-3-propionic acid; l-b-3-Indolylalanine; (S)-alpha-Amino-1H-indole-3-propanoate; (S)-alpha-Aminoindole-3-propionate; (s)-alpha-amino-beta-indolepropionate; (2S)-2-amino-3-(1H-indol-3-yl)propanoateH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +HMDB03339 D-Glutamic acid C5H9NO4 147.05316 NA ;SYN:a-keto-d-Guanidinovaleric acid; d-Guanidino-a-oxovaleric acid; d-Guanido-a-ketovaleric acid; 2-Oxo-5-guanidinovaleric acid; 5-Guanidino-2-oxovaleric acid; alpha-keto-delta-Guanidinovaleric acid; delta-Guanidino-alpha-oxovaleric acid; delta-Guanido-alpha-ketovaleric acid; 5-(diaminomethylideneamino)-2-oxopentanoic acid; 5-(diaminomethylideneamino)-2-oxopentanoateH2Blood; Cerebrospinal Fluid Inhouse_peptide NA peptide +HMDB00148 L-Glutamic acid C5H9NO4 147.05316 http://www.hmdb.ca/metabolites/HMDB00148 PFEM_hmdb_metabocards_blood NA blood +HMDB03339 D-Glutamate C5H9NO4 147.05316 http://www.hmdb.ca/metabolites/HMDB03339 PFEM_hmdb_metabocards_blood NA blood +HMDB00148 L-Glutamic acid C5H9NO4 147.05316 HMDB00148 PFEM_hmdb_metabocards_official NA NA +HMDB02393 N-Methyl-D-aspartic acid C5H9NO4 147.05316 HMDB02393 PFEM_hmdb_metabocards_official NA NA +HMDB02931 N-Acetylserine C5H9NO4 147.05316 HMDB02931 PFEM_hmdb_metabocards_official NA NA +HMDB03011 O-Acetylserine C5H9NO4 147.05316 HMDB03011 PFEM_hmdb_metabocards_official NA NA +HMDB03339 D-Glutamate C5H9NO4 147.05316 HMDB03339 PFEM_hmdb_metabocards_official NA NA +HMDB06556 L-4-Hydroxyglutamate semialdehyde C5H9NO4 147.05316 HMDB06556 PFEM_hmdb_metabocards_official NA NA +HMDB00148 L-Glutamic acid C5H9NO4 147.053162 NA HMDB2010 NA NA +HMDB02393 N-Methyl-D-aspartic acid C5H9NO4 147.053162 NA HMDB2010 NA NA +HMDB02931 N-Acetylserine C5H9NO4 147.053162 NA HMDB2010 NA NA +HMDB03011 O-Acetylserine C5H9NO4 147.053162 NA HMDB2010 NA NA +HMDB03339 D-Glutamic acid C5H9NO4 147.053162 NA HMDB2010 NA NA +HMDB06556 L-4-Hydroxyglutamate semialdehyde C5H9NO4 147.053162 NA HMDB2010 NA NA +EUR551 glutamic acid [M-H]+ 147.053175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR551 glutamic acid [M-H]+ 147.053175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR551 glutamic acid [M-H]+ 147.053175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR551 glutamic acid [M-H]+ 147.053175 identifies dans serum NuGO Inhousejuil11 NA NA +EUR028 L-glutamic acid C5H9NO4 147.0532 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR028 L-glutamic acid C5H9NO4 147.0532 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR028 L-glutamic acid C5H9NO4 147.0532 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR028 L-glutamic acid C5H9NO4 147.0532 Wishlist Inhousejuil11 NA NA +C00025 L-Glutamate C5H9NO4 147.0532 NA KEGG NA NA +C00217 D-Glutamate C5H9NO4 147.0532 NA KEGG NA NA +C00302 DL-Glutamate C5H9NO4 147.0532 NA KEGG NA NA +C00979 O-Acetyl-L-serine C5H9NO4 147.0532 NA KEGG NA NA +C00980 Polyvinyl alcohol C5H9NO4 147.0532 NA KEGG NA NA +C03618 L-threo-3-Methylaspartate C5H9NO4 147.0532 NA KEGG NA NA +C03790 N-(Carboxymethyl)-D-alanine C5H9NO4 147.0532 NA KEGG NA NA +C03791 N-Acetyl-alpha-melanotropin C5H9NO4 147.0532 NA KEGG NA NA +C03792 N-Acyl-D-mannosaminolactone C7H10NO6R 147.0532 NA KEGG NA NA +C05574 Isoglutamate C5H9NO4 147.0532 NA KEGG NA NA +C05938 L-4-Hydroxyglutamate semialdehyde C5H9NO4 147.0532 NA KEGG NA NA +C05941 2-Oxo-4-hydroxy-5-aminovalerate C5H9NO4 147.0532 NA KEGG NA NA +C12269 N-Methyl-D-aspartic acid C5H9NO4 147.0532 NA KEGG NA NA +PJ000014 E C5H9NO4 147.0532 NA PeJP NA NA +8250 CaMPDE inhibitor EF 147.055 MH2+ Inhouse_peptide NA peptide +8251 Renin inhibitor EF 147.055 MH2+ Inhouse_peptide NA peptide +PFEM050F1 L-glutamic acid F1 147.0605 NA Inhouse_original NA NA +CJneg0130 Adipic acid [M-H]- (13C) C5[13]CH9O4 147.061825 C18rt(min)=5.1 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0130 Adipic acid [M-H]- (13C) C5[13]CH9O4 147.061825 C18rt(min)=5.1 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ002154 Albizziine C4H9N3O3 147.064391 NA MeJP NA NA +C08264 L-Albizziine C4H9N3O3 147.0644 NA KEGG NA NA +C02366 3-Methyloxindole C9H9NO 147.0684 NA KEGG NA NA +C14639 2-Indanone oxime C9H9NO 147.0684 NA KEGG NA NA +HMDB05785 Indole-3-carbinol C9H9NO 147.06841 http://www.hmdb.ca/metabolites/HMDB05785 HMDB NA NA +HMDB05785 Indole-3-carbinol C9H9NO 147.06841 HMDB05785 PFEM_hmdb_metabocards_official NA NA +MJ002155 1-(2-Aminophenyl)-2-propen-1-one C9H9NO 147.068413 NA MeJP NA NA +MJ002156 1-(2-Furanylmethyl)-1H-pyrrole C9H9NO 147.068413 NA MeJP NA NA +MJ002157 1-Methyloxindole C9H9NO 147.068413 NA MeJP NA NA +MJ002158 1H-Indole-7-methanol C9H9NO 147.068413 NA MeJP NA NA +MJ002159 3-Hydroxyphenylacetic acid; Me ether, nitrile C9H9NO 147.068413 NA MeJP NA NA +MJ002160 3-Phenyl-2-propenoic acid, Amide C9H9NO 147.068413 NA MeJP NA NA +MJ002161 Coelobillardierine; 7,8-Didehydro C9H9NO 147.068413 NA MeJP NA NA +MJ002162 Coelobillardierine; Ketone C9H9NO 147.068413 NA MeJP NA NA +MetaCyc00915 3-methyloxindole [3-methyl-1,3-dihydroindol-2-one;] C9H9N1O1 147.068414 NA metacyc NA NA +HMDB05785 Indole-3-carbinol C9H9NO 147.06842 NA HMDB2010 NA NA +C17245 5-Methylthiopentanaldoxime C6H13NOS 147.0718 NA KEGG NA NA +CJneg0131 Dihydrothymine isomer [(M-H)+(H2O)]- (13C) C413CH9N2O3 147.073025 C18rt(min)=5.85 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0131 Dihydrothymine isomer [(M-H)+(H2O)]- (13C) C413CH9N2O3 147.073025 C18rt(min)=5.85 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +3381 ACE inhibitor LY 147.0735 MH2+ Inhouse_peptide NA peptide +3383 ACE inhibitor IY 147.0735 MH2+ Inhouse_peptide NA peptide +3550 ACE inhibitor (from bovine beta-Lg) YL 147.0735 MH2+ Inhouse_peptide NA peptide +7872 peptide from soybean protein isolates: beta-conglycinin and glycinin LY 147.0735 MH2+ Inhouse_peptide NA peptide +7873 peptide from soybean protein isolates: beta-conglycinin and glycinin IY 147.0735 MH2+ Inhouse_peptide NA peptide +8310 Anxiolytic peptide YL 147.0735 MH2+ Inhouse_peptide NA peptide +MJ002163 N-(Hydrazinohydrazonomethyl)glycine C3H9N5O2 147.075624 NA MeJP NA NA +MJ002164 [1-(Hydrazinoiminomethyl)hydrazino]acetic acid C3H9N5O2 147.075624 NA MeJP NA NA +MJ002165 [2-(Hydrazinoiminomethyl)hydrazino]acetic acid C3H9N5O2 147.075624 NA MeJP NA NA +CJneg0132 Pantothenic acid [(M-H)-(C3H4O2)]- C6H12O3N 147.089025 C18rt(min)=4.77 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0132 Pantothenic acid [(M-H)-(C3H4O2)]- C6H12O3N 147.089025 C18rt(min)=4.77 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C10144 Fagomine C6H13NO3 147.0895 NA KEGG NA NA +MJ002166 2-(Hydroxymethyl)-3,4-piperidinediol C6H13NO3 147.089543 NA MeJP NA NA +MJ002167 2-Amino-3-hydroxy-4-methylpentanoic acid C6H13NO3 147.089543 NA MeJP NA NA +MJ002168 2-Amino-4-hydroxy-3,3-dimethylbutanoic acid C6H13NO3 147.089543 NA MeJP NA NA +MJ002169 2-Amino-4-hydroxy-3-methylpentanoic acid C6H13NO3 147.089543 NA MeJP NA NA +MJ002170 2-Amino-4-hydroxy-4-methylpentanoic acid C6H13NO3 147.089543 NA MeJP NA NA +MJ002171 2-Amino-4-hydroxybutanoic acid, Et ether C6H13NO3 147.089543 NA MeJP NA NA +MJ002172 2-Amino-5-hydroxyhexanoic acid C6H13NO3 147.089543 NA MeJP NA NA +MJ002173 3,4-Dihydroxy-2-(hydroxymethyl)-5-methylpyrrolidine C6H13NO3 147.089543 NA MeJP NA NA +MJ002174 3-Amino-2,3,6-trideoxy-arabino-hexose C6H13NO3 147.089543 NA MeJP NA NA +MJ002175 3-Amino-2,3,6-trideoxy-lyxo-hexose C6H13NO3 147.089543 NA MeJP NA NA +MJ002176 3-Amino-2,3,6-trideoxy-ribo-hexose C6H13NO3 147.089543 NA MeJP NA NA +MJ002177 Oxibetaine C6H13NO3 147.089543 NA MeJP NA NA +MJ002178 1,2,3,4-Tetrahydroquinoline; N-Me C10H13N 147.104799 NA MeJP NA NA +MJ002179 2,3,4,5-Tetrahydro-1H-2-benzazepine C10H13N 147.104799 NA MeJP NA NA +MJ002180 5,6,7,8-Tetrahydro-4-methylquinoline C10H13N 147.104799 NA MeJP NA NA +MJ002181 Actinidine C10H13N 147.104799 NA MeJP NA NA +C09910 Actinidine C10H13N 147.1048 NA KEGG NA NA +MJ002182 Trimethyl[3-(methylthio)propyl]ammonium(1+) C7H18NS(+) 147.10817 NA MeJP NA NA +3515 ACE inhibitor GGY 147.5525 MH2+ Inhouse_peptide NA peptide +3741 Immunomodulating peptide YGG 147.5525 MH2+ Inhouse_peptide NA peptide +7647 ACE inhibitor YGG 147.5525 MH2+ Inhouse_peptide NA peptide +7682 ACE inhibitor from garlic NY 147.55295 MH2+ Inhouse_peptide NA peptide +C07490 Trichloroethanol C2H3Cl3O 147.9249 NA KEGG NA NA +MJ002183 2,2,2-Trichloroethanol C2H3Cl3O 147.924947 NA MeJP NA NA +C11352 5,6-Dichloro-1,3-cyclohexadiene C6H6Cl2 147.9847 NA KEGG NA NA +C11353 2-Hydroxy-3-chloropenta-2,4-dienoate C5H5ClO3 147.9927 NA KEGG NA NA +MJ002184 Hydroxyoxobutanedioic acid C4H4O6 148.000787 NA MeJP NA NA +MJ002185 2-Hydroxy-3-oxosuccinate C4H4O6 148.000787 NA MeJP NA NA +MJ002186 Dihydroxyfumarate C4H4O6 148.000787 NA MeJP NA NA +MetaCyc00916 2-hydroxy-3-oxosuccinate [Oxaloglycolate;] C4H4O6 148.000788 NA metacyc NA NA +MetaCyc00917 dihydroxyfumarate [Dihydroxyfumaric acid;] C4H4O6 148.000788 133-38-0 metacyc NA NA +HMDB02050 Dihydroxyfumarate C4H4O6 148.00079 http://www.hmdb.ca/metabolites/HMDB02050 HMDB NA NA +HMDB02050 Dihydroxyfumarate C4H4O6 148.00079 HMDB02050 PFEM_hmdb_metabocards_official NA NA +HMDB02050 Dihydroxyfumaric acid C4H4O6 148.000793 NA HMDB2010 NA NA +C00975 Dihydroxyfumarate C4H4O6 148.0008 NA KEGG NA NA +C03459 2-Hydroxy-3-oxosuccinate C4H4O6 148.0008 NA KEGG NA NA +JH017 Phloroglucinol [M+Na]+ NA 148.0159 4.44 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH017 Phloroglucinol [M+Na]+ NA 148.0159 4.44 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH017 Phloroglucinol [M+Na]+ NA 148.0159 4.44 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH017 Phloroglucinol [M+Na]+ NA 148.0159 4.44 Inhousejuil11 NA NA +C01180 4-Methylthio-2-oxobutanoic acid C5H8O3S 148.0194 NA KEGG NA NA +HMDB01553 2-Oxo-4-methylthiobutanoic acid C5H8O3S 148.019409 NA HMDB2010 NA NA +MJ002187 4-Methylthio-2-oxobutanoate C5H8O3S 148.019414 NA MeJP NA NA +MetaCyc00918 2-oxo-4-methylthiobutanoate [2-keto-4-methylthiobutyrate;4-methylthio-2-oxobutanoate;α-keto-4-methylthiobutyrate;4-methylthio-2-ketobutyrate;4-methylthio-2-ketobutanoate;4-methylthio-2-oxobutyrate;2-ketomethiobutyrate;KMTB;α-ketomethiobutyrate;2-keto-4-methylthiobutyric acid;α-ketomethiobutyric acid;α-keto-γ-methylthiobutyrate;α-keto-γ-methylthiobutyric acid;2-oxo-4-methylthiobutanoic acid;] C5H8O3S1 148.019415 NA metacyc NA NA +HMDB01553 2-Oxo-4-methylthiobutanoic acid C5H8O3S 148.01942 http://www.hmdb.ca/metabolites/HMDB01553 HMDB NA NA +HMDB01553 2-Oxo-4-methylthiobutanoic acid C5H8O3S 148.01942 HMDB01553 PFEM_hmdb_metabocards_official NA NA +HMDB00694 L-2-Hydroxyglutaric acid C5H8O5 148.03717 http://www.hmdb.ca/metabolites/HMDB00694 PFEM_hmdb_metabocards_urine NA urine +HMDB01900 Ribonolactone C5H8O5 148.03717 http://www.hmdb.ca/metabolites/HMDB01900 PFEM_hmdb_metabocards_urine NA urine +HMDB00428 3-Hydroxyglutaric acid C5H8O5 148.03717 http://www.hmdb.ca/metabolites/HMDB00428 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00606 D-2-Hydroxyglutaric acid C5H8O5 148.03717 http://www.hmdb.ca/metabolites/HMDB00606 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00694 L-2-Hydroxyglutaric acid C5H8O5 148.03717 http://www.hmdb.ca/metabolites/HMDB00694 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00694 L-2-Hydroxyglutaric acid C5H8O5 148.03717 http://www.hmdb.ca/metabolites/HMDB00694 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01900 Ribonolactone C5H8O5 148.03717 http://www.hmdb.ca/metabolites/HMDB01900 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00694 L-2-Hydroxyglutaric acid C5H8O5 148.03717 http://www.hmdb.ca/metabolites/HMDB00694 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01900 Ribonolactone C5H8O5 148.03717 http://www.hmdb.ca/metabolites/HMDB01900 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00426 Citramalic acid C5H8O5 148.03717 http://www.hmdb.ca/metabolites/HMDB00426 HMDB NA NA +HMDB00428 3-Hydroxyglutaric acid C5H8O5 148.03717 http://www.hmdb.ca/metabolites/HMDB00428 HMDB NA NA +HMDB00606 D-2-Hydroxyglutaric acid C5H8O5 148.03717 http://www.hmdb.ca/metabolites/HMDB00606 HMDB NA NA +HMDB00694 L-2-Hydroxyglutaric acid C5H8O5 148.03717 http://www.hmdb.ca/metabolites/HMDB00694 HMDB NA NA +HMDB01900 Ribonolactone C5H8O5 148.03717 http://www.hmdb.ca/metabolites/HMDB01900 HMDB NA NA +HMDB00428 3-Hydroxyglutaric acid C5H8O5 148.03717 http://www.hmdb.ca/metabolites/HMDB00428 PFEM_hmdb_metabocards_blood NA blood +HMDB00606 D-2-Hydroxyglutaric acid C5H8O5 148.03717 http://www.hmdb.ca/metabolites/HMDB00606 PFEM_hmdb_metabocards_blood NA blood +HMDB00694 L-2-Hydroxyglutaric acid C5H8O5 148.03717 http://www.hmdb.ca/metabolites/HMDB00694 PFEM_hmdb_metabocards_blood NA blood +HMDB00426 Citramalic acid C5H8O5 148.03717 HMDB00426 PFEM_hmdb_metabocards_official NA NA +HMDB00428 3-Hydroxyglutaric acid C5H8O5 148.03717 HMDB00428 PFEM_hmdb_metabocards_official NA NA +HMDB00606 D-2-Hydroxyglutaric acid C5H8O5 148.03717 HMDB00606 PFEM_hmdb_metabocards_official NA NA +HMDB00694 L-2-Hydroxyglutaric acid C5H8O5 148.03717 HMDB00694 PFEM_hmdb_metabocards_official NA NA +HMDB01900 Ribonolactone C5H8O5 148.03717 HMDB01900 PFEM_hmdb_metabocards_official NA NA +HMDB00426 Citramalic acid C5H8O5 148.03717 NA HMDB2010 NA NA +HMDB00428 3-Hydroxyglutaric acid C5H8O5 148.03717 NA HMDB2010 NA NA +HMDB00606 D-2-Hydroxyglutaric acid C5H8O5 148.03717 NA HMDB2010 NA NA +HMDB00694 L-2-Hydroxyglutaric acid C5H8O5 148.03717 NA HMDB2010 NA NA +HMDB01900 Ribonolactone C5H8O5 148.03717 NA HMDB2010 NA NA +HMDB11676 D-Xylono-1,5-lactone C5H8O5 148.03717 NA HMDB2010 NA NA +MJ002188 2-Hydroxy-2-methylbutanedioic acid C5H8O5 148.037173 NA MeJP NA NA +MJ002189 L-Xylono-1,4-lactone C5H8O5 148.037173 NA MeJP NA NA +MJ002190 (R)-2-Methylmalate C5H8O5 148.037173 NA MeJP NA NA +MJ002191 (S)-2-Methylmalate C5H8O5 148.037173 NA MeJP NA NA +MJ002192 2-Dehydro-3-deoxy-D-arabinonate C5H8O5 148.037173 NA MeJP NA NA +MJ002193 2-Dehydro-3-deoxy-D-xylonate C5H8O5 148.037173 NA MeJP NA NA +MJ002194 2-Dehydro-3-deoxy-L-arabinonate C5H8O5 148.037173 NA MeJP NA NA +MJ002195 2-Hydroxyglutarate C5H8O5 148.037173 NA MeJP NA NA +MJ002196 D-Xylonolactone C5H8O5 148.037173 NA MeJP NA NA +MJ002197 D-erythro-3-Methylmalate C5H8O5 148.037173 NA MeJP NA NA +MJ002198 D-threo-3-Methylmalate C5H8O5 148.037173 NA MeJP NA NA +MJ002199 L-threo-3-Methylmalate C5H8O5 148.037173 NA MeJP NA NA +MetaCyc00919 S-citramalate [α-methylmalate;(S)-2-methylmalic acid;(3S)-citramalate;(3S)-citramalic acid;(3S)-α-hydroxypyrotartaric acid;(S)-2-methylmalate;L-citramalic acid;L-α-hydroxypyrotartaric acid;L-citramalate;S-citramalic acid;S-α-hydroxypyrotartaric acid;citramalate;2-methylmalate;L-(+)-citramalate;] C5H8O5 148.037173 2306-22-1 metacyc NA NA +MetaCyc00920 (R)-2-hydroxyglutarate [(R)-2-hydroxyglutaric acid;2-hydroxyglutarate;2-hydroxyglutaric acid;hydroxyglutarate;hydroxyglutaric acid;] C5H8O5 148.037173 13095-47-1 metacyc NA NA +MetaCyc00921 L-xylono-1,4-lactone [] C5H8O5 148.037173 NA metacyc NA NA +MetaCyc00922 L-Arabino-1,5-lactone [] C5H8O5 148.037173 NA metacyc NA NA +MetaCyc00923 D-xylono-1,4-lactone [] C5H8O5 148.037173 15384-37-9 metacyc NA NA +MetaCyc00924 β-methyl-D-malate [erythro-β-methyl-D-malate;] C5H8O5 148.037173 NA metacyc NA NA +MetaCyc00925 (S)-2-Hydroxyglutarate [(S)-2-Hydroxyglutaric acid;2-Hydroxyglutarate;2-Hydroxyglutaric acid;] C5H8O5 148.037173 13095-48-2 metacyc NA NA +MetaCyc00926 L-arabinono-1,4-lactone [] C5H8O5 148.037173 NA metacyc NA NA +MetaCyc00927 D-xylonolactone [D-xylono-1,5-lactone;] C5H8O5 148.037173 NA metacyc NA NA +MetaCyc00928 D-arabinono-1,4-lactone [] C5H8O5 148.037173 NA metacyc NA NA +MetaCyc00929 (R)-citramalate [(R)-2-methylmalic acid;(3R)-citramalate;(3R)-citramalic acid;(3R)-α-hydroxypyrotartaric acid;D-citramalate;D-citramalic acid;D-α-hydroxypyrotartaric acid;(R)-2-methylmalate;(R)-(-)-citramalic acid;] C5H8O5 148.037173 10/08/6236 metacyc NA NA +MetaCyc00930 2-dehydro-3-deoxy-L-pentonate [2-dehydro-3-deoxy-L-xylonate;] C5H8O5 148.037173 3495-27-0 metacyc NA NA +MetaCyc00931 2-dehydro-3-deoxy-D-pentonate [2-dehydro-3-deoxy-D-xylonate;] C5H8O5 148.037173 NA metacyc NA NA +MetaCyc00932 2-dehydro-3-deoxy-L-arabinonate [] C5H8O5 148.037173 NA metacyc NA NA +MetaCyc00933 2-hydroxyglutarate [2-hydroxyglutaric acid;α-hydroxyglutarate;α-hydroxy-glutarate;2-hydroxyglutarate;] C5H8O5 148.037173 2889-31-8 metacyc NA NA +MetaCyc00934 2-dehydro-3-deoxy-D-arabinonate [] C5H8O5 148.037173 NA metacyc NA NA +C00652 D-Arabinono-1,4-lactone C5H8O5 148.0372 NA KEGG NA NA +C00653 Poly(ribitol phosphate) C5H8O5 148.0372 NA KEGG NA NA +C00684 2-Dehydro-3-deoxy-L-arabinonate C5H8O5 148.0372 NA KEGG NA NA +C00685 3-Oxoacyl-[acyl-carrier protein] C3H2O2SR2 148.0372 NA KEGG NA NA +C00686 N-Acyl-D-mannosamine 6-phosphate C7H13NO9PR 148.0372 NA KEGG NA NA +C00815 Citramalate C5H8O5 148.0372 NA KEGG NA NA +C00816 Collagenase C5H8O5 148.0372 NA KEGG NA NA +C01087 (R)-2-Hydroxyglutarate C5H8O5 148.0372 NA KEGG NA NA +C01114 L-Arabinono-1,4-lactone C5H8O5 148.0372 NA KEGG NA NA +C02266 D-Xylonolactone C5H8O5 148.0372 NA KEGG NA NA +C02612 (R)-2-Methylmalate C5H8O5 148.0372 NA KEGG NA NA +C02613 (S)-2-Hydroxy acid C2H3O3R 148.0372 NA KEGG NA NA +C02614 (S)-2-Methylmalate C5H8O5 148.0372 NA KEGG NA NA +C02630 2-Hydroxyglutarate C5H8O5 148.0372 NA KEGG NA NA +C02753 D-Xylono-1,4-lactone C5H8O5 148.0372 NA KEGG NA NA +C02754 Yeast cytochrome c C5H8O5 148.0372 NA KEGG NA NA +C02755 [Glu(-Cys)]n+1-Gly C10H17N3O6S 148.0372 NA KEGG NA NA +C02756 [Xanthine oxidase] C10H17N3O6S 148.0372 NA KEGG NA NA +C02757 alpha-L-Rhamnoside C6H11O5R 148.0372 NA KEGG NA NA +C02758 alpha-Melanotropin C6H11O5R 148.0372 NA KEGG NA NA +C02994 L-Xylono-1,4-lactone C5H8O5 148.0372 NA KEGG NA NA +C03196 (S)-2-Hydroxyglutarate C5H8O5 148.0372 NA KEGG NA NA +C03826 2-Dehydro-3-deoxy-D-xylonate C5H8O5 148.0372 NA KEGG NA NA +C05405 L-Arabinono-1,5-lactone C5H8O5 148.0372 NA KEGG NA NA +C06029 L-threo-3-Methylmalate C5H8O5 148.0372 NA KEGG NA NA +C06031 D-threo-3-Methylmalate C5H8O5 148.0372 NA KEGG NA NA +C06032 D-erythro-3-Methylmalate C5H8O5 148.0372 NA KEGG NA NA +CJneg0133 Citric acid [(M-H)-(CO2)]- C5H7O5 148.037725 C18rt(min)=1.09 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0133 Citric acid [(M-H)-(CO2)]- C5H7O5 148.037725 C18rt(min)=1.09 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ002200 1-Methylpropyl vinyl disulfide C6H12S2 148.038041 NA MeJP NA NA +MJ002201 1-Propenyl propyl disulfide C6H12S2 148.038041 NA MeJP NA NA +MJ002202 2-Propenyl propyl disulfide C6H12S2 148.038041 NA MeJP NA NA +MJ002203 3-Propyl-1,2-dithiolane C6H12S2 148.038041 NA MeJP NA NA +2749 ion flow regulating peptide DY 148.04495 MH2+ Inhouse_peptide NA peptide +C03015 O-Carbamoyl-L-serine C4H8N2O4 148.0484 NA KEGG NA NA +C03016 O-Phosphotropomyosin C4H7N2O6PR2 148.0484 NA KEGG NA NA +C03124 beta-L-Aspartylhydroxamate C4H8N2O4 148.0484 NA KEGG NA NA +C03125 L-Cysteinyl-tRNA(Cys) C18H26N6O11PSR 148.0484 NA KEGG NA NA +MJ002204 2,3-Diaminobutanedioic acid C4H8N2O4 148.048406 NA MeJP NA NA +MJ002205 O-Carbamoylserine C4H8N2O4 148.048406 NA MeJP NA NA +MJ002206 N-Carbamoylsarcosine C4H8N2O4 148.048406 NA MeJP NA NA +MetaCyc00935 O-carbamoyl-L-serine [] C4H8N2O4 148.048407 2105-23-9 metacyc NA NA +MetaCyc00936 L-aspartylhydroxamate [] C4H8N2O4 148.048407 NA metacyc NA NA +EUR338 Phenylalanine F2 F2 148.051875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR338 Phenylalanine F2 NA 148.051875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR338 Phenylalanine F2 F2 148.051875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR338 Phenylalanine F2 NA 148.051875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR338 Phenylalanine F2 F2 148.051875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJpos0288 Phenylalanine [(M+H)-(NH3)]+ C9H9O2 148.051875 C18rt(min)=4.46 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR338 Phenylalanine F2 NA 148.051875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR338 Phenylalanine F2 F2 148.051875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0288 Phenylalanine [(M+H)-(NH3)]+ C9H9O2 148.051875 C18rt(min)=4.46 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +EUR338 Phenylalanine F2 F2 148.051875 standards wishlist analysés sur QTOF HMDB NA NA +EUR338 Phenylalanine F2 F2 148.051875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR338 Phenylalanine F2 NA 148.051875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR338 Phenylalanine F2 F2 148.051875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR338 Phenylalanine F2 F2 148.051875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +JH064 Phenylalanine [M+H-NH3]+ NA 148.0524 1.66 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH064 Phenylalanine [M+H-NH3]+ NA 148.0524 1.66 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH064 Phenylalanine [M+H-NH3]+ NA 148.0524 1.66 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH064 Phenylalanine [M+H-NH3]+ NA 148.0524 1.66 Inhousejuil11 NA NA +C00423 trans-Cinnamate C9H8O2 148.0524 NA KEGG NA NA +C02274 Dihydrocoumarin C9H8O2 148.0524 NA KEGG NA NA +C05608 4-Hydroxycinnamyl aldehyde C9H8O2 148.0524 NA KEGG NA NA +C07720 3-Hydroxy-1-indanone C9H8O2 148.0524 NA KEGG NA NA +C07728 3-Isochromanone C9H8O2 148.0524 NA KEGG NA NA +C10438 Cinnamic acid C9H8O2 148.0524 NA KEGG NA NA +C17268 Pyruvophenone C9H8O2 148.0524 NA KEGG NA NA +HMDB00567 Cinnamic acid C9H8O2 148.052429 NA HMDB2010 NA NA +HMDB00930 trans-Cinnamic acid C9H8O2 148.052429 NA HMDB2010 NA NA +MJ002207 2-Methyl-1,4-benzenedicarboxaldehyde C9H8O2 148.052429 NA MeJP NA NA +MJ002208 2-Octene-4,6-diynoic acid; Me ester C9H8O2 148.052429 NA MeJP NA NA +MJ002209 3,4-Dihydro-2H-1-benzopyran-2-one C9H8O2 148.052429 NA MeJP NA NA +MJ002210 3,5,7-Nonatriyne-1,2-diol C9H8O2 148.052429 NA MeJP NA NA +MJ002211 3-(2-Hydroxyphenyl)-2-propenal C9H8O2 148.052429 NA MeJP NA NA +MJ002212 3-(4-Hydroxyphenyl)-2-propenal C9H8O2 148.052429 NA MeJP NA NA +MJ002213 3-Hydroxy-1-indanone C9H8O2 148.052429 NA MeJP NA NA +MJ002214 3-Isochromanone C9H8O2 148.052429 NA MeJP NA NA +MJ002215 3-Phenyl-2-propenoic acid C9H8O2 148.052429 NA MeJP NA NA +MJ002216 4,6,8-Nonatriyne-1,2-diol C9H8O2 148.052429 NA MeJP NA NA +MJ002217 4-(1,3-Butadiynyl)-4-cyclopentene-1,3-diol C9H8O2 148.052429 NA MeJP NA NA +MJ002218 4-(2,3-Butadienyl)-2H-pyran-2-one C9H8O2 148.052429 NA MeJP NA NA +MJ002219 4-Hydroxycinnamyl aldehyde C9H8O2 148.052429 NA MeJP NA NA +MJ002220 4-Nonene-6,8-diynoic acid C9H8O2 148.052429 NA MeJP NA NA +MJ002221 5-Benzofuranol; Me ether C9H8O2 148.052429 NA MeJP NA NA +MJ002222 5-Hydroxymethylbenzofuran C9H8O2 148.052429 NA MeJP NA NA +MJ002223 Di-2-furanylmethane C9H8O2 148.052429 NA MeJP NA NA +MJ002224 Dihydrocoumarin C9H8O2 148.052429 NA MeJP NA NA +MJ002225 trans-Cinnamate C9H8O2 148.052429 NA MeJP NA NA +HMDB00567 Cinnamic acid C9H8O2 148.05243 http://www.hmdb.ca/metabolites/HMDB00567 HMDB NA NA +MetaCyc00937 coumaraldehyde [] C9H8O2 148.05243 NA metacyc NA NA +MetaCyc00938 trans-cinnamate [β-phenylacrylic acid;3-phenyl-2-propenoic acid;cinnamic acid;cinnamate;trans-cinnamic acid;(E)-cinnamate;] C9H8O2 148.05243 140-10-3 metacyc NA NA +MetaCyc00939 3-isochromanone [] C9H8O2 148.05243 NA metacyc NA NA +MetaCyc00940 dihydrocoumarin [meliotine;2-chromanone;melilotin;melilotol;melilotic lactone;hydrocinnamic acid, o-hydroxy-,lactone;hydrocoumarin;2H-1-benzopyran-2-one, 3,4-dihydro-;3,4-dihydrocoumarin;1,2-benzodihydropyrone;] C9H8O2 148.05243 119-84-6 metacyc NA NA +MetaCyc00941 3-hydroxy-1-indanone [] C9H8O2 148.05243 NA metacyc NA NA +HMDB00567 Cinnamic acid C9H8O2 148.05243 HMDB00567 PFEM_hmdb_metabocards_official NA NA +3385 ACE inhibitor MF 148.0542 MH2+ Inhouse_peptide NA peptide +MJ002226 3-(Methylthio)propanoic acid; Et ester C6H12O2S 148.0558 NA MeJP NA NA +CJpos0289 (2-methoxyethoxy)propanoic acid [(M+H)]+ C6H13O4 148.072975 C18rt(min)=4.95 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0290 (2-methoxyethoxy)propanoic acid [(M+H)]+ C6H13O4 148.072975 C18rt(min)=4.75 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0291 Mevalonic acid isomer [(M+H)]+ C6H13O4 148.072975 C18rt(min)=4.55 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0292 Mevalonic acid isomer [(M+H)]+ C6H13O4 148.072975 C18rt(min)=5.18 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0289 (2-methoxyethoxy)propanoic acid [(M+H)]+ C6H13O4 148.072975 C18rt(min)=4.95 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0290 (2-methoxyethoxy)propanoic acid [(M+H)]+ C6H13O4 148.072975 C18rt(min)=4.75 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0291 Mevalonic acid isomer [(M+H)]+ C6H13O4 148.072975 C18rt(min)=4.55 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0292 Mevalonic acid isomer [(M+H)]+ C6H13O4 148.072975 C18rt(min)=5.18 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ002227 1,2,3,4-Cyclohexanetetrol C6H12O4 148.073558 NA MeJP NA NA +MJ002228 1,2,4,5-Cyclohexanetetrol C6H12O4 148.073558 NA MeJP NA NA +MJ002229 2,3-Dihydroxy-3-methylpentanoic acid C6H12O4 148.073558 NA MeJP NA NA +MJ002230 2,4-Dihydroxy-3,3-dimethylbutanoic acid C6H12O4 148.073558 NA MeJP NA NA +MJ002231 2,6-Dideoxy-arabino-hexose C6H12O4 148.073558 NA MeJP NA NA +MJ002232 2,6-Dideoxy-lyxo-hexose C6H12O4 148.073558 NA MeJP NA NA +MJ002233 2,6-Dideoxy-ribo-hexose C6H12O4 148.073558 NA MeJP NA NA +MJ002234 2,6-Dideoxy-xylo-hexose C6H12O4 148.073558 NA MeJP NA NA +MJ002235 3,5-Dihydroxy-3-methylpentanoic acid C6H12O4 148.073558 NA MeJP NA NA +MJ002236 3,6-Dideoxy-arabino-hexose C6H12O4 148.073558 NA MeJP NA NA +MJ002237 3,6-Dideoxy-ribo-hexose C6H12O4 148.073558 NA MeJP NA NA +MJ002238 3,6-Dideoxy-xylo-hexose C6H12O4 148.073558 NA MeJP NA NA +MJ002239 3-Ethoxy-2-oxobutanal, Hydrate C6H12O4 148.073558 NA MeJP NA NA +MJ002240 (R)-2,3-Dihydroxy-3-methylpentanoate C6H12O4 148.073558 NA MeJP NA NA +MJ002241 (R)-Mevalonate C6H12O4 148.073558 NA MeJP NA NA +MJ002242 (R)-Pantoate C6H12O4 148.073558 NA MeJP NA NA +MetaCyc00942 (R)-mevalonate [mevalonate;mevalonic acid;] C6H12O4 148.073559 150-97-0 metacyc NA NA +MetaCyc00943 L-pantoate [pantoate;(R)-pantoate;] C6H12O4 148.073559 470-29-1 metacyc NA NA +MetaCyc00944 (S)-Mevalonate [(S)-Mevalonic acid;(S)-3,5-Dihydroxy-3-methylvaleric acid;] C6H12O4 148.073559 150-97-0 metacyc NA NA +MetaCyc00945 2,3-dihydroxy-3-methylvalerate [(R)-2,3-Dihydroxy-3-methylpentanoate;(R)-2,3-Dihydroxy-3-methylvalerate;2,3-dihydroxy-3-methylpentanoate;] C6H12O4 148.073559 NA metacyc NA NA +HMDB00227 Mevalonic acid C6H12O4 148.07356 http://www.hmdb.ca/metabolites/HMDB00227 PFEM_hmdb_metabocards_urine NA urine +HMDB00227 Mevalonic acid C6H12O4 148.07356 http://www.hmdb.ca/metabolites/HMDB00227 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00227 Mevalonic acid C6H12O4 148.07356 http://www.hmdb.ca/metabolites/HMDB00227 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00227 Mevalonic acid C6H12O4 148.07356 http://www.hmdb.ca/metabolites/HMDB00227 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00227 Mevalonic acid C6H12O4 148.07356 http://www.hmdb.ca/metabolites/HMDB00227 HMDB NA NA +HMDB00227 Mevalonic acid C6H12O4 148.07356 http://www.hmdb.ca/metabolites/HMDB00227 PFEM_hmdb_metabocards_blood NA blood +HMDB00227 Mevalonic acid C6H12O4 148.07356 HMDB00227 PFEM_hmdb_metabocards_official NA NA +HMDB00227 Mevalonic acid C6H12O4 148.073563 NA HMDB2010 NA NA +HMDB12140 (R) 2,3-Dihydroxy-3-methylvalerate C6H12O4 148.073563 NA HMDB2010 NA NA +C00418 (R)-Mevalonate C6H12O4 148.0736 NA KEGG NA NA +C00419 Polynucleotide C10H17O10PR2 148.0736 NA KEGG NA NA +C00420 Polysaccharide C12H22O11 148.0736 NA KEGG NA NA +C00421 Collagen type V C12H22O11 148.0736 NA KEGG NA NA +C00422 Triacylglycerol C6H5O6R3 148.0736 NA KEGG NA NA +C00522 (R)-Pantoate C6H12O4 148.0736 NA KEGG NA NA +C02104 (S)-Mevalonate C6H12O4 148.0736 NA KEGG NA NA +C03348 3,6-Dideoxy-L-galactose C6H12O4 148.0736 NA KEGG NA NA +C04104 2,3-Dihydroxy-3-methylpentanoate C6H12O4 148.0736 NA KEGG NA NA +C06007 (R)-2,3-Dihydroxy-3-methylpentanoate C6H12O4 148.0736 NA KEGG NA NA +C06471 Abequose C6H12O4 148.0736 NA KEGG NA NA +CJneg0134 (2-methoxyethoxy)propanoic acid [(M-H)]- C6H11O4 148.074125 C18rt(min)=4.95 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0135 (2-methoxyethoxy)propanoic acid [(M-H)]- C6H11O4 148.074125 C18rt(min)=4.75 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0136 Mevalonic acid isomer [(M-H)]- C6H11O4 148.074125 C18rt(min)=4.55 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0134 (2-methoxyethoxy)propanoic acid [(M-H)]- C6H11O4 148.074125 C18rt(min)=4.95 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0135 (2-methoxyethoxy)propanoic acid [(M-H)]- C6H11O4 148.074125 C18rt(min)=4.75 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0136 Mevalonic acid isomer [(M-H)]- C6H11O4 148.074125 C18rt(min)=4.55 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ002243 2,5-Diamino-3-hydroxypentanoic acid C5H12N2O3 148.084792 NA MeJP NA NA +MJ002244 2,5-Diamino-4-hydroxypentanoic acid C5H12N2O3 148.084792 NA MeJP NA NA +MJ002245 N5-Hydroxyornithine C5H12N2O3 148.084792 NA MeJP NA NA +MJ002246 O-(2-Aminoethyl)serine C5H12N2O3 148.084792 NA MeJP NA NA +CJpos0293 Heptylmalonic acid [(M+H)-3(H2O)]+ C10H13O 148.088275 C18rt(min)=6.05 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0293 Heptylmalonic acid [(M+H)-3(H2O)]+ C10H13O 148.088275 C18rt(min)=6.05 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C06577 p-Cumic aldehyde C10H12O 148.0888 NA KEGG NA NA +C10428 Anethole C10H12O 148.0888 NA KEGG NA NA +C10452 Estragole C10H12O 148.0888 NA KEGG NA NA +C14309 5,6,7,8-Tetrahydro-2-naphthol C10H12O 148.0888 NA KEGG NA NA +C17965 trans-Lachnophyllol C10H12O 148.0888 NA KEGG NA NA +MJ002247 p-Cumic aldehyde C10H12O 148.088815 NA MeJP NA NA +MJ002248 2,3,4-Trimethylbenzaldehyde C10H12O 148.088815 NA MeJP NA NA +MJ002249 2,3,6-Trimethylbenzaldehyde C10H12O 148.088815 NA MeJP NA NA +MJ002250 2,4,5-Trimethylbenzaldehyde C10H12O 148.088815 NA MeJP NA NA +MJ002251 2,4,6-Trimethylbenzaldehyde C10H12O 148.088815 NA MeJP NA NA +MJ002252 2,6,8-Decatrien-4-yn-1-ol C10H12O 148.088815 NA MeJP NA NA +MJ002253 2,6-Decadien-4-ynal C10H12O 148.088815 NA MeJP NA NA +MJ002254 2-Decene-4,6-diyn-1-ol C10H12O 148.088815 NA MeJP NA NA +MJ002255 3,4,5-Trimethylbenzaldehyde C10H12O 148.088815 NA MeJP NA NA +MJ002256 3,7-Dimethyl-2,6-octadien-4-ynal C10H12O 148.088815 NA MeJP NA NA +MJ002257 3-(4-Methyl-1,4-pentadienyl)furan C10H12O 148.088815 NA MeJP NA NA +MJ002258 4-(1-Propenyl)phenol, Me ether C10H12O 148.088815 NA MeJP NA NA +MJ002259 4-(2-Propenyl)phenol; Me ether C10H12O 148.088815 NA MeJP NA NA +MJ002260 4-Isopropyl-2,4,6-cycloheptatrienone C10H12O 148.088815 NA MeJP NA NA +MJ002261 4-Isopropylbenzaldehyde C10H12O 148.088815 NA MeJP NA NA +MJ002262 8-Decene-4,6-diyn-1-ol C10H12O 148.088815 NA MeJP NA NA +MJ002263 p-Mentha-1,3,5,8-tetraen-2-ol C10H12O 148.088815 NA MeJP NA NA +MJ002264 ?-Clausenan C10H12O 148.088815 NA MeJP NA NA +MetaCyc00946 methylchavicol [estragole;] C10H12O1 148.088815 NA metacyc NA NA +MetaCyc00947 p-cumic aldehyde [cuminaldehyde;cuminal;cuminic aldehyde;cumaldehyde;4-isopropylbenzaldehyde;] C10H12O1 148.088815 122-03-2 metacyc NA NA +HMDB02214 Cuminaldehyde C10H12O 148.08882 http://www.hmdb.ca/metabolites/HMDB02214 HMDB NA NA +HMDB02214 Cuminaldehyde C10H12O 148.08882 HMDB02214 PFEM_hmdb_metabocards_official NA NA +HMDB02214 Cuminaldehyde C10H12O 148.088821 NA HMDB2010 NA NA +MJ002265 3-Mercapto-1-hexanol, S-Me C7H16OS 148.092185 NA MeJP NA NA +C06524 Nornicotine C9H12N2 148.1 NA KEGG NA NA +C11360 (+)-Nornicotine C9H12N2 148.1 NA KEGG NA NA +MJ002266 3-(2-Pyrrolidinyl)pyridine C9H12N2 148.100048 NA MeJP NA NA +MetaCyc00948 nornicotine [] C9H12N2 148.100048 NA metacyc NA NA +HMDB01126 Nornicotine C9H12N2 148.10005 http://www.hmdb.ca/metabolites/HMDB01126 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01126 Nornicotine C9H12N2 148.10005 http://www.hmdb.ca/metabolites/HMDB01126 HMDB NA NA +HMDB01126 Nornicotine C9H12N2 148.10005 http://www.hmdb.ca/metabolites/HMDB01126 PFEM_hmdb_metabocards_blood NA blood +HMDB01126 Nornicotine C9H12N2 148.10005 HMDB01126 PFEM_hmdb_metabocards_official NA NA +HMDB01126 Nornicotine C9H12N2 148.100052 NA HMDB2010 NA NA +C16993 Ectocarpen C11H16 148.1252 NA KEGG NA NA +MJ002267 1,3,5,8-Undecatetraene C11H16 148.1252 NA MeJP NA NA +MJ002268 1-(1,3-Hexadienyl)-2-vinylcyclopropane C11H16 148.1252 NA MeJP NA NA +MJ002269 1-(2-Pentenyl)-1,3-cyclohexadiene C11H16 148.1252 NA MeJP NA NA +MJ002270 1-Isopropyl-2,4-dimethylbenzene C11H16 148.1252 NA MeJP NA NA +MJ002271 1-tert-Butyl-3-methylbenzene C11H16 148.1252 NA MeJP NA NA +MJ002272 1-tert-Butyl-4-methylbenzene C11H16 148.1252 NA MeJP NA NA +MJ002273 2,4,6,8-Undecatetraene C11H16 148.1252 NA MeJP NA NA +MJ002274 3-(1-Butenyl)-4-vinylcyclopentene C11H16 148.1252 NA MeJP NA NA +MJ002275 4-(1,3-Hexadienyl)-1-cyclopentene C11H16 148.1252 NA MeJP NA NA +MJ002276 4-(1-Propenyl)-5-vinylcyclohexene C11H16 148.1252 NA MeJP NA NA +MJ002277 6-(1-Butenyl)-1,4-cycloheptadiene C11H16 148.1252 NA MeJP NA NA +HMDB00709 L-Cysteinylglycine disulfide C8H15N3O5S2 148.5226595 MH2+ Inhouse_peptide NA peptide +MJ002278 2-Amino-4-chloro-4-pentenoic acid C5H8ClNO2 149.024356 NA MeJP NA NA +MJ002279 2-Amino-5-chloro-4-pentenoic acid C5H8ClNO2 149.024356 NA MeJP NA NA +MJ002280 3-Chloro-4-hydroxy-2-piperidinone C5H8ClNO2 149.024356 NA MeJP NA NA +MetaCyc00949 L-2-amino-4-chloropent-4-enoate [2-amino-4-chloro-4-pentenoic acid;] C5H8N1O2CL1 149.024356 55528-30-8 metacyc NA NA +C04075 L-2-Amino-4-chloropent-4-enoate C5H8ClNO2 149.0244 NA KEGG NA NA +C02660 Benzyl thiocyanate C8H7NS 149.0299 NA KEGG NA NA +C03098 Benzyl isothiocyanate C8H7NS 149.0299 NA KEGG NA NA +C03101 Coagulation Factor IX C8H7NS 149.0299 NA KEGG NA NA +C03102 Coagulation Factor XI C8H7NS 149.0299 NA KEGG NA NA +C03103 Cyclobutadipyrimidine C8H7NS 149.0299 NA KEGG NA NA +MJ002281 2-Methylbenzothiazole C8H7NS 149.029919 NA MeJP NA NA +MJ002282 Benzyl isothiocyanate C8H7NS 149.029919 NA MeJP NA NA +MJ002283 Benzyl thiocyanate C8H7NS 149.029919 NA MeJP NA NA +MetaCyc00950 benzyl thiocyanate [] C8H7N1S1 149.02992 3012-37-1 metacyc NA NA +MetaCyc00951 benzylisothiocyanate [] C8H7N1S1 149.02992 622-78-6 metacyc NA NA +C03961 erythro-3-Hydroxy-Ls-aspartate C4H7NO5 149.0324 NA KEGG NA NA +C11511 threo-3-Hydroxy-L-aspartate C4H7NO5 149.0324 NA KEGG NA NA +MJ002284 2-Amino-3-hydroxybutanedioic acid C4H7NO5 149.032422 NA MeJP NA NA +MJ002285 N-Hydroxyaspartic acid C4H7NO5 149.032422 NA MeJP NA NA +MetaCyc00952 erythro-3-hydroxy-L-aspartate [erythro-3-hydroxy-L-aspartic acid;erythro-3-hydroxy-Ls-aspartate;] C4H7N1O5 149.032422 NA metacyc NA NA +PFEM057F1 Methionine F1 149.0332 NA Inhouse_original NA NA +MJ002286 4-Dimethylamino-1,2-dithiolane C5H11NS2 149.03329 NA MeJP NA NA +MJ002287 Diethyldithiocarbamic acid C5H11NS2 149.03329 NA MeJP NA NA +C11474 Nereistoxin C5H11NS2 149.0333 NA KEGG NA NA +C11475 DNA containing guanine C10H14N5O7P 149.0333 NA KEGG NA NA +CJneg0137 Creatinine (and isomer) [(M+Cl)]- C4H7ClN3O 149.036125 C18rt(min)=0.87 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0137 Creatinine (and isomer) [(M+Cl)]- C4H7ClN3O 149.036125 C18rt(min)=0.87 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +EUR347 Pyridoxal F2 F2 149.037775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR347 Pyridoxal F2 NA 149.037775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR347 Pyridoxal F2 F2 149.037775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR347 Pyridoxal F2 NA 149.037775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR347 Pyridoxal F2 F2 149.037775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR347 Pyridoxal F2 NA 149.037775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR347 Pyridoxal F2 F2 149.037775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR347 Pyridoxal F2 F2 149.037775 standards wishlist analysés sur QTOF HMDB NA NA +EUR347 Pyridoxal F2 F2 149.037775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR347 Pyridoxal F2 NA 149.037775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR347 Pyridoxal F2 F2 149.037775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR347 Pyridoxal F2 F2 149.037775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ002288 2,3-Diaminopropanoic acid, N3-Nitro C3H7N3O4 149.043655 NA MeJP NA NA +MJ002289 Alanosine C3H7N3O4 149.043655 NA MeJP NA NA +EUR298 Vitamin B6 F3 F3 149.044975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR298 Vitamine B6 F3 NA 149.044975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR298 Vitamin B6 F3 F3 149.044975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR298 Vitamine B6 F3 NA 149.044975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR298 Vitamin B6 F3 F3 149.044975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR298 Vitamine B6 F3 NA 149.044975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR298 Vitamin B6 F3 F3 149.044975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR298 Vitamin B6 F3 F3 149.044975 standards wishlist analysés sur QTOF HMDB NA NA +EUR298 Vitamin B6 F3 F3 149.044975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR298 Vitamine B6 F3 NA 149.044975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR298 Vitamin B6 F3 F3 149.044975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR298 Vitamin B6 F3 F3 149.044975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ002290 (2,4-Dihydroxyphenyl)acetic acid; Nitrile C8H7NO2 149.047678 NA MeJP NA NA +MJ002291 1H-Indole-2,5-diol C8H7NO2 149.047678 NA MeJP NA NA +MJ002292 1H-Indole-5,6-diol C8H7NO2 149.047678 NA MeJP NA NA +MJ002293 1H-Indole-6,7-diol C8H7NO2 149.047678 NA MeJP NA NA +MJ002294 2-Hydroxy-2-isocyano-4-vinyl-3-cyclopenten-1-one C8H7NO2 149.047678 NA MeJP NA NA +MJ002295 5-Hydroxy-3-isocyano-5-vinyl-2-cyclopenten-1-one C8H7NO2 149.047678 NA MeJP NA NA +MJ002296 Gentianadine C8H7NO2 149.047678 NA MeJP NA NA +MJ002297 2,3-Dihydroxyindole C8H7NO2 149.047678 NA MeJP NA NA +MJ002298 5,6-Dihydroxyindole C8H7NO2 149.047678 NA MeJP NA NA +MJ002299 Indole-5,6-quinone C8H7NO2 149.047678 NA MeJP NA NA +MJ002300 2-Formylaminobenzaldehyde C8H7NO2 149.047678 NA MeJP NA NA +MJ002301 4-Hydroxymandelonitrile C8H7NO2 149.047678 NA MeJP NA NA +MetaCyc00953 dioxindole [] C8H7N1O2 149.047678 NA metacyc NA NA +MetaCyc00954 5,6-dihydroxyindole [] C8H7N1O2 149.047678 NA metacyc NA NA +MetaCyc00955 (S)-4-hydroxymandelonitrile [4-hydroxymandelonitrile;] C8H7N1O2 149.047678 NA metacyc NA NA +MetaCyc00956 benzoxazin-3-one [] C8H7N1O2 149.047678 NA metacyc NA NA +MetaCyc00957 3-hydroxyindolin-2-one [] C8H7N1O2 149.047678 NA metacyc NA NA +MetaCyc00958 2-formylaminobenzaldehyde [] C8H7N1O2 149.047678 NA metacyc NA NA +MetaCyc00959 2,3-dihydroxyindole [] C8H7N1O2 149.047678 NA metacyc NA NA +HMDB04058 5,6-Dihydroxyindole C8H7NO2 149.04768 http://www.hmdb.ca/metabolites/HMDB04058 HMDB NA NA +HMDB04058 5,6-Dihydroxyindole C8H7NO2 149.04768 HMDB04058 PFEM_hmdb_metabocards_official NA NA +HMDB04058 5,6-Dihydroxyindole C8H7NO2 149.047684 NA HMDB2010 NA NA +C00650 4-Hydroxymandelonitrile C8H7NO2 149.0477 NA KEGG NA NA +C02775 2,3-Dihydroxyindole C8H7NO2 149.0477 NA KEGG NA NA +C03574 2-Formylaminobenzaldehyde C8H7NO2 149.0477 NA KEGG NA NA +C03742 (S)-4-Hydroxymandelonitrile C8H7NO2 149.0477 NA KEGG NA NA +C05578 5,6-Dihydroxyindole C8H7NO2 149.0477 NA KEGG NA NA +C09957 Gentianadine C8H7NO2 149.0477 NA KEGG NA NA +C11130 3-Hydroxyindolin-2-one C8H7NO2 149.0477 NA KEGG NA NA +EUR290 Methionine F1 NA 149.048875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR290 Methionine F1 NA 149.048875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR290 Methionine F1 NA 149.048875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR290 Methionine F1 NA 149.048875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR290 Methionine F1 NA 149.048875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR290 Methionine F1 NA 149.048875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR290 Methionine F1 NA 149.048875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR290 Methionine F1 NA 149.048875 standards wishlist analysés sur QTOF HMDB NA NA +EUR290 Methionine F1 NA 149.048875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR290 Methionine F1 NA 149.048875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR290 Methionine F1 NA 149.048875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR290 Methionine F1 NA 149.048875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0294 Methionine (and isomer) [M+H]+ C5H12O2NS 149.050475 C18rt(min)=1.08 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0294 Methionine (and isomer) [M+H]+ C5H12O2NS 149.050475 C18rt(min)=1.08 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C00073 L-Methionine C5H11NO2S 149.051 NA KEGG NA NA +C00855 D-Methionine C5H11NO2S 149.051 NA KEGG NA NA +C00856 DNA cytosine C9H14N3O7P 149.051 NA KEGG NA NA +C01733 Methionine C5H11NO2S 149.051 NA KEGG NA NA +C07418 Penicillamine C5H11NO2S 149.051 NA KEGG NA NA +C07419 Transferred to D00497 C5H11NO2S 149.051 NA KEGG NA NA +MJ002302 Methionine C5H11NO2S 149.051049 NA MeJP NA NA +MJ002303 Penicillamine C5H11NO2S 149.051049 NA MeJP NA NA +MJ002304 L-Methionine C5H11NO2S 149.051049 NA MeJP NA NA +MetaCyc00960 L-methionine [M;met;methionine;] C5H11N1O2S1 149.051049 63-68-3 metacyc NA NA +MetaCyc00961 D-methionine [D-2-amino-4-(methylthio)butyric acid;] C5H11N1O2S1 149.051049 348-67-4 metacyc NA NA +HMDB00696 L-Methionine C5H11NO2S 149.051056 NA HMDB2010 NA NA +HMDB00696 L-Methionine C5H11NO2S 149.05106 http://www.hmdb.ca/metabolites/HMDB00696 PFEM_hmdb_metabocards_urine NA urine +HMDB00696 L-Methionine C5H11NO2S 149.05106 http://www.hmdb.ca/metabolites/HMDB00696 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00696 L-Methionine C5H11NO2S 149.05106 http://www.hmdb.ca/metabolites/HMDB00696 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00696 L-Methionine C5H11NO2S 149.05106 http://www.hmdb.ca/metabolites/HMDB00696 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00696 L-Methionine C5H11NO2S 149.05106 http://www.hmdb.ca/metabolites/HMDB00696 HMDB NA NA +HMDB00696 L-Methionine C5H11NO2S 149.05106 Short chain acyl carnitines ;SYN:O-Butanoylcarnitine;(R)-3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-1-Propanaminium; (3-carboxy-2-hydroxypropyl)trimethyl-L-butyrate; ester with (3-carboxy-2-hydroxypropyl)trimethylammonium L-Butyric acid; ester with L-(3-carboxy-2-hydroxypropyl)trimethylammonium Butyric acid; Butyryl-L-carnitine; L-Carnitine butyryl ester; n-Butyryl-L(-)-carnitineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00696 L-Methionine C5H11NO2S 149.05106 http://www.hmdb.ca/metabolites/HMDB00696 PFEM_hmdb_metabocards_blood NA blood +HMDB00696 L-Methionine C5H11NO2S 149.05106 HMDB00696 PFEM_hmdb_metabocards_official NA NA +LABER003 Methionine HMDB00696_RT1.93_add133,104,102 149.0511 RT 2.86 fragt 150, 133, 56, 61, 104 PFEM_hmdb_metabocards_urine NA urine +EUR034 Methionine C5H11NO2S 149.0511 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR616 Methionine [M+H]+ 149.0511 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER003 Methionine HMDB00696_RT1.93_add133,104,102 149.0511 RT 2.86 fragt 150, 133, 56, 61, 104 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR034 Methionine C5H11NO2S 149.0511 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR616 Methionine [M+H]+ 149.0511 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER003 Methionine HMDB00696_RT1.93_add133,104,102 149.0511 RT 2.86 fragt 150, 133, 56, 61, 104 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR034 Methionine C5H11NO2S 149.0511 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR616 Methionine [M+H]+ 149.0511 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER003 Methionine HMDB00696_RT1.93_add133,104,102 149.0511 RT 2.86 fragt 150, 133, 56, 61, 104 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER003 Methionine HMDB00696_RT1.93_add133,104,102 149.0511 RT 2.86 fragt 150, 133, 56, 61, 104 HMDB NA NA +LABER003 Methionine HMDB00696_RT1.93_add133,104,102 149.0511 RT 2.86 fragt 150, 133, 56, 61, 104 Inhouse_PFEM NA NA +LABER003 Methionine NA 149.0511 150.0583 Inhouse_sept12 NA NA +EUR034 Methionine C5H11NO2S 149.0511 Wishlist Inhousejuil11 NA NA +EUR616 Methionine [M+H]+ 149.0511 identifies dans standard mixture NuGO Inhousejuil11 NA NA +LABER003 Methionine HMDB00696_RT1.93_add133,104,102 149.0511 RT 2.86 fragt 150, 133, 56, 61, 104 Inhousejuil11 NA NA +PJ000015 M C5H11NO2S 149.0511 NA PeJP NA NA +LABER003 Methionine HMDB00696_RT1.93_add133,104,102 149.0511 RT 2.86 fragt 150, 133, 56, 61, 104 PFEM_hmdb_metabocards_blood NA blood +LABER003 Methionine HMDB00696_RT1.93_add133,104,102 149.0511 RT 2.86 fragt 150, 133, 56, 61, 104 PFEM_hmdb_metabocards_official NA NA +MJ002305 2-Amino-2-deoxylyxose C5H11NO4 149.068807 NA MeJP NA NA +MJ002306 2-Amino-2-deoxyribose C5H11NO4 149.068807 NA MeJP NA NA +MJ002307 2-Amino-2-deoxyxylose C5H11NO4 149.068807 NA MeJP NA NA +MJ002308 2-Amino-4,5-dihydroxypentanoic acid C5H11NO4 149.068807 NA MeJP NA NA +MJ002309 3-Amino-3-deoxyribose C5H11NO4 149.068807 NA MeJP NA NA +MJ002310 4-Amino-4-deoxyarabinose C5H11NO4 149.068807 NA MeJP NA NA +MetaCyc00962 N,N-dihydroxyvaline [] C5H11N1O4 149.068808 NA metacyc NA NA +MetaCyc00963 4-amino-4-deoxy-L-arabinose [L-Ara4N;] C5H11N1O4 149.068808 NA metacyc NA NA +CJpos0295 Methyladenine isomers [(M+H)]+ C6H8N5 149.069575 C18rt(min)=1.06 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0295 Methyladenine isomers [(M+H)]+ C6H8N5 149.069575 C18rt(min)=1.06 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C00913 3-Methyladenine C6H7N5 149.0701 NA KEGG NA NA +C02216 1-Methyladenine C6H7N5 149.0701 NA KEGG NA NA +C02241 7-Methyladenine C6H7N5 149.0701 NA KEGG NA NA +C08434 6-Methylaminopurine C6H7N5 149.0701 NA KEGG NA NA +HMDB02099 6-Methyladenine C6H7N5 149.07014 http://www.hmdb.ca/metabolites/HMDB02099 HMDB NA NA +HMDB02099 6-Methyladenine C6H7N5 149.07014 HMDB02099 PFEM_hmdb_metabocards_official NA NA +HMDB02099 6-Methyladenine C6H7N5 149.070145 NA HMDB2010 NA NA +HMDB11599 1-Methyladenine C6H7N5 149.070145 NA HMDB2010 NA NA +HMDB11600 3-Methyladenine C6H7N5 149.070145 NA HMDB2010 NA NA +HMDB11614 7-Methyladenine C6H7N5 149.070145 NA HMDB2010 NA NA +MJ002311 6-Amino-2-methylpurine C6H7N5 149.070145 NA MeJP NA NA +MJ002312 6-Amino-3-methylpurine C6H7N5 149.070145 NA MeJP NA NA +MJ002313 Adenine; 6N-Me C6H7N5 149.070145 NA MeJP NA NA +MJ002314 Spongopurine C6H7N5 149.070145 NA MeJP NA NA +MetaCyc00964 1-methyladenine [] C6H7N5 149.070145 5142-22-3 metacyc NA NA +CJpos0296 (2-methoxyethoxy)propanoic acid [(M+H)]+ (13C) C513CH13O4 149.076375 C18rt(min)=4.95 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0296 (2-methoxyethoxy)propanoic acid [(M+H)]+ (13C) C513CH13O4 149.076375 C18rt(min)=4.95 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ002315 2-Amino-1-phenyl-1-propanone C9H11NO 149.084063 NA MeJP NA NA +MJ002316 Coelobillardierine C9H11NO 149.084063 NA MeJP NA NA +MJ002317 Isogentialutine C9H11NO 149.084063 NA MeJP NA NA +MJ002318 Venoterpine C9H11NO 149.084063 NA MeJP NA NA +C08301 D-Cathinone C9H11NO 149.0841 NA KEGG NA NA +C17236 3-Phenylpropionaldoxim C9H11NO 149.0841 NA KEGG NA NA +CJpos0297 Choline [(M)+(HCOOH)]+ C6H16NO3 149.104675 C18rt(min)=0.85 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0297 Choline [(M)+(HCOOH)]+ C6H16NO3 149.104675 C18rt(min)=0.85 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ002319 Tris(2-hydroxyethyl)amine C6H15NO3 149.105193 NA MeJP NA NA +MJ002320 Triethanolamine C6H15NO3 149.105193 NA MeJP NA NA +C06771 Triethanolamine C6H15NO3 149.1052 NA KEGG NA NA +C07164 Methamphetamine C10H15N 149.1204 NA KEGG NA NA +C07438 Phentermine C10H15N 149.1204 NA KEGG NA NA +C07439 Transferred to D00509 C10H15N 149.1204 NA KEGG NA NA +C11001 2,6-Diethylaniline C10H15N 149.1204 NA KEGG NA NA +MJ002321 1-Phenyl-2-propylamine, N-Me C10H15N 149.120449 NA MeJP NA NA +MJ002322 2,3,4,5-Tetrahydro-6-(1,3-pentadienyl)pyridine C10H15N 149.120449 NA MeJP NA NA +MJ002323 2-Methyl-1-phenyl-2-propylamine C10H15N 149.120449 NA MeJP NA NA +MJ002324 2-Phenyl-1-propylamine, N-Me C10H15N 149.120449 NA MeJP NA NA +MJ002325 2-Phenylethylamine; N,N-Di-Me C10H15N 149.120449 NA MeJP NA NA +MJ002326 3,4-Dihydro-3-methyl-5-(1,3-pentadienyl)-2H-pyrrole C10H15N 149.120449 NA MeJP NA NA +MJ002327 Ortetamine C10H15N 149.120449 NA MeJP NA NA +MetaCyc00965 phentermine [duromine;ionamin;fastin;ortetamine;lipopill;mirapront;] C10H15N1 149.120449 NA metacyc NA NA +3507 ACE inhibitor (beta-LG fr, 78-80) IPA 149.5865 MH2+ Inhouse_peptide NA peptide +3597 ACE inhibitor AIP 149.5865 MH2+ Inhouse_peptide NA peptide +7570 ACE inhibitor from chicken muscle LAP 149.5865 MH2+ Inhouse_peptide NA peptide +7819 ACE inhibitor from wheat gliadin IAP 149.5865 MH2+ Inhouse_peptide NA peptide +8304 Dipeptidyl peptidase IV inhibitor IPA 149.5865 MH2+ Inhouse_peptide NA peptide +41 Muscle LAP 149.587 MH2+ Inhouse_peptide NA peptide +MJ002328 Sodium iodide INa 149.894238 NA MeJP NA NA +C01892 Asparagusate C4H6O2S2 149.9809 NA KEGG NA NA +MetaCyc00966 asparagusate [] C4H6O2S2 149.980921 02/04/2224 metacyc NA NA +C14872 Thiodiacetic acid C4H6O4S 149.9987 NA KEGG NA NA +MJ002329 1-Bromopentane C5H11Br 150.004413 NA MeJP NA NA +MJ002330 5-(1-Propynyl)-2-thiophenecarboxaldehyde C8H6OS 150.013935 NA MeJP NA NA +C00552 meso-Tartaric acid C4H6O6 150.0164 NA KEGG NA NA +C00898 (R,R)-Tartaric acid C4H6O6 150.0164 NA KEGG NA NA +C02107 (S,S)-Tartaric acid C4H6O6 150.0164 NA KEGG NA NA +HMDB00956 Tartaric acid C4H6O6 150.01643 http://www.hmdb.ca/metabolites/HMDB00956 PFEM_hmdb_metabocards_urine NA urine +HMDB00956 Tartaric acid C4H6O6 150.01643 http://www.hmdb.ca/metabolites/HMDB00956 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00956 Tartaric acid C4H6O6 150.01643 http://www.hmdb.ca/metabolites/HMDB00956 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00956 Tartaric acid C4H6O6 150.01643 http://www.hmdb.ca/metabolites/HMDB00956 HMDB NA NA +HMDB00956 Tartaric acid C4H6O6 150.01643 HMDB00956 PFEM_hmdb_metabocards_official NA NA +HMDB00956 Tartaric acid C4H6O6 150.016434 NA HMDB2010 NA NA +MJ002331 (R,R)-Tartaric acid C4H6O6 150.016437 NA MeJP NA NA +MJ002332 meso-Tartaric acid C4H6O6 150.016437 NA MeJP NA NA +MJ002333 Tartaric acid C4H6O6 150.016437 NA MeJP NA NA +MetaCyc00967 tartrate [Weinsaeure;(+)-tartrate;L-tartrate;tartaric acid;(R,R)-tartrate;L-tartaric acid;] C4H6O6 150.016438 87-69-4 metacyc NA NA +MetaCyc00968 meso-tartrate [meso-tartaric acid;meso-tartrate;mesotartaric acid;] C4H6O6 150.016438 147-73-9 metacyc NA NA +MetaCyc00969 D-tartrate [(-)-tartrate;unnatural tartrate;D-tartarate;(S,S)-tartrate;D-tartaric acid;] C4H6O6 150.016438 NA metacyc NA NA +HMDB00292 Xanthine C5H2N4O2 150.01778 http://www.hmdb.ca/metabolites/HMDB00292 PFEM_hmdb_metabocards_urine NA urine +HMDB00292 Xanthine C5H2N4O2 150.01778 http://www.hmdb.ca/metabolites/HMDB00292 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00292 Xanthine C5H2N4O2 150.01778 http://www.hmdb.ca/metabolites/HMDB00292 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00292 Xanthine C5H2N4O2 150.01778 http://www.hmdb.ca/metabolites/HMDB00292 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00292 Xanthine C5H2N4O2 150.01778 http://www.hmdb.ca/metabolites/HMDB00292 HMDB NA NA +HMDB00292 Xanthine C5H2N4O2 150.01778 http://www.hmdb.ca/metabolites/HMDB00292 PFEM_hmdb_metabocards_blood NA blood +HMDB00292 Xanthine C5H2N4O2 150.01778 HMDB00292 PFEM_hmdb_metabocards_official NA NA +JH071 Vanillic acid [M+H-H20]+ NA 150.03116 11.79 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH071 Vanillic acid [M+H-H20]+ NA 150.03116 11.79 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH071 Vanillic acid [M+H-H20]+ NA 150.03116 11.79 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH071 Vanillic acid [M+H-H20]+ NA 150.03116 11.79 Inhousejuil11 NA NA +HMDB01587 Phenylglyoxylic acid C8H6O3 150.03169 http://www.hmdb.ca/metabolites/HMDB01587 HMDB NA NA +HMDB01587 Phenylglyoxylic acid C8H6O3 150.03169 HMDB01587 PFEM_hmdb_metabocards_official NA NA +HMDB01587 Phenylglyoxylic acid C8H6O3 150.031693 NA HMDB2010 NA NA +MJ002334 3,4-Methylenedioxybenzaldehyde C8H6O3 150.031694 NA MeJP NA NA +MJ002335 4-Hydroxy-1,3-benzenedicarboxaldehyde C8H6O3 150.031694 NA MeJP NA NA +MJ002336 4-Hydroxyphthalide C8H6O3 150.031694 NA MeJP NA NA +MJ002337 7-Hydroxyphthalide C8H6O3 150.031694 NA MeJP NA NA +MJ002338 8-Hydroxy-2-octene-4,6-diynoic acid C8H6O3 150.031694 NA MeJP NA NA +MJ002339 alpha-Oxo-benzeneacetic acid C8H6O3 150.031694 NA MeJP NA NA +MetaCyc00970 phenylglyoxylate [] C8H6O3 150.031694 NA metacyc NA NA +MetaCyc00971 benzoylformate [Benzoylformic acid;Phenylglyoxylic acid;] C8H6O3 150.031694 611-73-4 metacyc NA NA +MetaCyc00972 2-carboxybenzaldehyde [Phthalaldehydic acid;o-formylbenzoic acid;o-formylbenzoate;2-formylbenzoate;] C8H6O3 150.031694 119-67-5 metacyc NA NA +MetaCyc00973 4-carboxybenzaldehyde [] C8H6O3 150.031694 619-66-9 metacyc NA NA +C02137 alpha-Oxo-benzeneacetic acid C8H6O3 150.0317 NA KEGG NA NA +C03057 2-Carboxybenzaldehyde C8H6O3 150.0317 NA KEGG NA NA +C10812 Piperonal C8H6O3 150.0317 NA KEGG NA NA +MJ002340 2,4-Dihydroxy-3-pyridinecarboxylic acid; 4-Me ether, nitrile C7H6N2O2 150.042927 NA MeJP NA NA +MJ002341 2,4-Dihydroxy-3-pyridinecarboxylic acid; NH-form, N-Me, nitrile C7H6N2O2 150.042927 NA MeJP NA NA +MJ002342 4-Diazo-3-methoxy-2,5-cyclohexadien-1-one C7H6N2O2 150.042927 NA MeJP NA NA +MJ002343 4-Hydroxy-3-pyridinecarboxylic acid; OH-form, Me ether, nitrile, N-oxide C7H6N2O2 150.042927 NA MeJP NA NA +C16631 alpha-Fluoro-beta-ureidopropionic acid C4H7FN2O3 150.0441 NA KEGG NA NA +PARAC030 UNKNOWN signif manip paracetamol NA 150.0528 RT4.5 PFEM_hmdb_metabocards_urine NA urine +PARAC030 UNKNOWN signif manip paracetamol NA 150.0528 RT4.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC030 UNKNOWN signif manip paracetamol NA 150.0528 RT4.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC030 UNKNOWN signif manip paracetamol NA 150.0528 RT4.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC030 UNKNOWN signif manip paracetamol NA 150.0528 RT4.5 HMDB NA NA +PARAC030 UNKNOWN signif manip paracetamol NA 150.0528 RT4.5 Inhouse_PFEM NA NA +C00121 D-Ribose C5H10O5 150.0528 NA KEGG NA NA +C00181 D-Xylose C5H10O5 150.0528 NA KEGG NA NA +C00216 D-Arabinose C5H10O5 150.0528 NA KEGG NA NA +C00259 L-Arabinose C5H10O5 150.0528 NA KEGG NA NA +C00309 D-Ribulose C5H10O5 150.0528 NA KEGG NA NA +C00310 D-Xylulose C5H10O5 150.0528 NA KEGG NA NA +C00312 L-Xylulose C5H10O5 150.0528 NA KEGG NA NA +C00476 D-Lyxose C5H10O5 150.0528 NA KEGG NA NA +C00508 L-Ribulose C5H10O5 150.0528 NA KEGG NA NA +C01394 Xylose C5H10O5 150.0528 NA KEGG NA NA +C01396 5S-rRNA C5H10O5 150.0528 NA KEGG NA NA +C01488 D-Apiose C5H10O5 150.0528 NA KEGG NA NA +C01508 L-Lyxose C5H10O5 150.0528 NA KEGG NA NA +C01510 L-Xylose C5H10O5 150.0528 NA KEGG NA NA +C02096 beta-D-Xylose C5H10O5 150.0528 NA KEGG NA NA +C02204 alpha-D-Lyxose C5H10O5 150.0528 NA KEGG NA NA +C02205 alpha-D-Xylose C5H10O5 150.0528 NA KEGG NA NA +C02479 beta-L-Arabinose C5H10O5 150.0528 NA KEGG NA NA +C02604 alpha-L-Arabinose C5H10O5 150.0528 NA KEGG NA NA +C02605 beta-L-Rhamnoside C6H11O5R 150.0528 NA KEGG NA NA +C02607 kappa-Carrageenan C6H11O5R 150.0528 NA KEGG NA NA +C05052 Ribulose C5H10O5 150.0528 NA KEGG NA NA +C05056 cis-2-Enoyl-CoA C24H37N7O17P3SR 150.0528 NA KEGG NA NA +C05057 cis-3-Enoyl-CoA C25H39N7O17P3SR 150.0528 NA KEGG NA NA +C06115 L-Arabinofuranose C5H10O5 150.0528 NA KEGG NA NA +C08346 beta-D-Apiose C5H10O5 150.0528 NA KEGG NA NA +C08353 beta-D-Ribopyranose C5H10O5 150.0528 NA KEGG NA NA +C08354 alpha-D-Ribulose C5H10O5 150.0528 NA KEGG NA NA +C11476 L-Arabinose C5H10O5 150.0528 NA KEGG NA NA +C11477 Sugar C5H10O5 150.0528 NA KEGG NA NA +C11478 tRNA containing 5-aminomethyl-2-thiouridine C10H16N3O8PS 150.0528 NA KEGG NA NA +C16639 beta-D-Ribofuranose C5H10O5 150.0528 NA KEGG NA NA +PARAC030 UNKNOWN signif manip paracetamol NA 150.0528 RT4.5 PFEM_hmdb_metabocards_blood NA blood +PARAC030 UNKNOWN signif manip paracetamol NA 150.0528 RT4.5 PFEM_hmdb_metabocards_official NA NA +MJ002344 L-Arabino-1,4-lactone C5H10O5 150.052823 NA MeJP NA NA +MJ002345 L-Arabino-1,5-lactone C5H10O5 150.052823 NA MeJP NA NA +MJ002346 D-Lyxose C5H10O5 150.052823 NA MeJP NA NA +MJ002347 D-Ribose C5H10O5 150.052823 NA MeJP NA NA +MJ002348 D-Ribulose C5H10O5 150.052823 NA MeJP NA NA +MJ002349 D-Xylose C5H10O5 150.052823 NA MeJP NA NA +MJ002350 D-Xylulose C5H10O5 150.052823 NA MeJP NA NA +MJ002351 L-Arabinose C5H10O5 150.052823 NA MeJP NA NA +MJ002352 L-Lyxose C5H10O5 150.052823 NA MeJP NA NA +MJ002353 L-Ribulose C5H10O5 150.052823 NA MeJP NA NA +MJ002354 L-Xylose C5H10O5 150.052823 NA MeJP NA NA +MJ002355 L-Xylulose C5H10O5 150.052823 NA MeJP NA NA +MJ002356 2,4-Dihydroxy-2-(hydroxymethyl)butanoic acid C5H10O5 150.052823 NA MeJP NA NA +MJ002357 Apiose C5H10O5 150.052823 NA MeJP NA NA +MJ002358 Arabinose C5H10O5 150.052823 NA MeJP NA NA +MJ002359 Lyxose C5H10O5 150.052823 NA MeJP NA NA +MJ002360 Ribose C5H10O5 150.052823 NA MeJP NA NA +MJ002361 Xylose C5H10O5 150.052823 NA MeJP NA NA +MJ002362 threo-2-Pentulose C5H10O5 150.052823 NA MeJP NA NA +MetaCyc00974 pentose-ring [] C5H10O5 150.052823 NA metacyc NA NA +MetaCyc00975 apiose [D-apiose;] C5H10O5 150.052823 NA metacyc NA NA +MetaCyc00976 D-ribulose [D-erythro-pentulose;D-erythropentulose;erythropentulose;] C5H10O5 150.052823 5556-48-9 metacyc NA NA +MetaCyc00977 L-ribulose [ribulose;] C5H10O5 150.052823 2042-27-5 metacyc NA NA +MetaCyc00978 L-xylulose [xylulose;] C5H10O5 150.052823 527-50-4 metacyc NA NA +MetaCyc00979 L-xylose [] C5H10O5 150.052823 609-06-3 metacyc NA NA +MetaCyc00980 L-lyxose [] C5H10O5 150.052823 1949-78-6 metacyc NA NA +MetaCyc00981 L-ribose [] C5H10O5 150.052823 NA metacyc NA NA +MetaCyc00982 D-xylose [xylose;α-D-xylose;] C5H10O5 150.052823 58-86-6 metacyc NA NA +MetaCyc00983 D-ribose [α-D-ribose;ribose;α-D-ribose-5;] C5H10O5 150.052823 50-69-1 metacyc NA NA +MetaCyc00984 D-lyxose [] C5H10O5 150.052823 65-42-9 metacyc NA NA +MetaCyc00985 D-arabinose [arabinose;] C5H10O5 150.052823 10323-20-3 metacyc NA NA +MetaCyc00986 xylulose [D-xylulose;D-threo-pentulose;] C5H10O5 150.052823 551-84-8 metacyc NA NA +MetaCyc00987 β-L-arabinose [] C5H10O5 150.052823 NA metacyc NA NA +MetaCyc00988 α-L-arabinose [arabinose;] C5H10O5 150.052823 147-81-9 metacyc NA NA +MetaCyc00989 D-Lyxose [] C5H10O5 150.052823 1114-34-7 metacyc NA NA +HMDB00098 D-Xylose C5H10O5 150.052826 NA HMDB2010 NA NA +HMDB00283 D-Ribose C5H10O5 150.052826 NA HMDB2010 NA NA +HMDB00366 2-Deoxyribonic acid C5H10O5 150.052826 NA HMDB2010 NA NA +HMDB00621 D-Ribulose C5H10O5 150.052826 NA HMDB2010 NA NA +HMDB00646 L-Arabinose C5H10O5 150.052826 NA HMDB2010 NA NA +HMDB00751 L-Threo-2-pentulose C5H10O5 150.052826 NA HMDB2010 NA NA +HMDB01644 D-Xylulose C5H10O5 150.052826 NA HMDB2010 NA NA +HMDB03371 L-Ribulose C5H10O5 150.052826 NA HMDB2010 NA NA +HMDB12194 Beta-D-ribopyranose C5H10O5 150.052826 NA HMDB2010 NA NA +HMDB12325 Arabinofuranose C5H10O5 150.052826 NA HMDB2010 NA NA +HMDB00098 D-Xylose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00098 PFEM_hmdb_metabocards_urine NA urine +HMDB00283 D-Ribose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00283 PFEM_hmdb_metabocards_urine NA urine +HMDB00646 L-Arabinose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00646 PFEM_hmdb_metabocards_urine NA urine +HMDB00751 L-Threo-2-pentulose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00751 PFEM_hmdb_metabocards_urine NA urine +HMDB01644 D-Xylulose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB01644 PFEM_hmdb_metabocards_urine NA urine +HMDB00098 D-Xylose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00098 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00283 D-Ribose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00283 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00646 L-Arabinose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00646 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00751 L-Threo-2-pentulose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00751 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01644 D-Xylulose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB01644 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00098 D-Xylose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00098 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00283 D-Ribose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00283 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00646 L-Arabinose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00646 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00751 L-Threo-2-pentulose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00751 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01644 D-Xylulose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB01644 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00098 D-Xylose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00098 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00283 D-Ribose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00283 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00646 L-Arabinose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00646 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00751 L-Threo-2-pentulose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00751 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01644 D-Xylulose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB01644 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00098 D-Xylose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00098 HMDB NA NA +HMDB00283 D-Ribose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00283 HMDB NA NA +HMDB00366 2-Deoxyribonic acid C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00366 HMDB NA NA +HMDB00621 D-Ribulose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00621 HMDB NA NA +HMDB00646 L-Arabinose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00646 HMDB NA NA +HMDB00751 L-Threo-2-pentulose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00751 HMDB NA NA +HMDB01644 D-Xylulose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB01644 HMDB NA NA +HMDB03371 L-Ribulose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB03371 HMDB NA NA +HMDB00098 D-Xylose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00098 PFEM_hmdb_metabocards_blood NA blood +HMDB00283 D-Ribose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00283 PFEM_hmdb_metabocards_blood NA blood +HMDB00646 L-Arabinose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00646 PFEM_hmdb_metabocards_blood NA blood +HMDB00751 L-Threo-2-pentulose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB00751 PFEM_hmdb_metabocards_blood NA blood +HMDB01644 D-Xylulose C5H10O5 150.05283 http://www.hmdb.ca/metabolites/HMDB01644 PFEM_hmdb_metabocards_blood NA blood +HMDB00098 D-Xylose C5H10O5 150.05283 HMDB00098 PFEM_hmdb_metabocards_official NA NA +HMDB00283 D-Ribose C5H10O5 150.05283 HMDB00283 PFEM_hmdb_metabocards_official NA NA +HMDB00366 2-Deoxyribonic acid C5H10O5 150.05283 HMDB00366 PFEM_hmdb_metabocards_official NA NA +HMDB00621 D-Ribulose C5H10O5 150.05283 HMDB00621 PFEM_hmdb_metabocards_official NA NA +HMDB00646 L-Arabinose C5H10O5 150.05283 HMDB00646 PFEM_hmdb_metabocards_official NA NA +HMDB00751 L-Threo-2-pentulose C5H10O5 150.05283 HMDB00751 PFEM_hmdb_metabocards_official NA NA +HMDB01644 D-Xylulose C5H10O5 150.05283 HMDB01644 PFEM_hmdb_metabocards_official NA NA +HMDB03371 L-Ribulose C5H10O5 150.05283 HMDB03371 PFEM_hmdb_metabocards_official NA NA +CJneg0138 Pentose [(M-H)]- C5H9O5 150.053325 C18rt(min)=0.95 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0139 Hexose [(M-H)-(CH2O)]- C5H9O5 150.053325 C18rt(min)=0.92 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0138 Pentose [(M-H)]- C5H9O5 150.053325 C18rt(min)=0.95 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0139 Hexose [(M-H)-(CH2O)]- C5H9O5 150.053325 C18rt(min)=0.92 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0298 Methylinosine [(M+H)-(C5H8O4)]+ C6H7N4O 150.053575 C18rt(min)=4.45 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0298 Methylinosine [(M+H)-(C5H8O4)]+ C6H7N4O 150.053575 C18rt(min)=4.45 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ002363 Diisopropyl disulfide C6H14S2 150.053691 NA MeJP NA NA +MJ002364 Dipropyl disulfide C6H14S2 150.053691 NA MeJP NA NA +MJ002365 Ethyl 1-methylpropyl disulfide C6H14S2 150.053691 NA MeJP NA NA +C08373 Dipropyl disulfide C6H14S2 150.0537 NA KEGG NA NA +HMDB13141 1-Methylhypoxanthine C6H6N4O 150.054153 NA HMDB2010 NA NA +MJ002366 Dezaguanine C6H6N4O 150.05416 NA MeJP NA NA +JH128 Hydroferulic acid [M+H-HCOOH]+ NA 150.0625 12.75 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH128 Hydroferulic acid [M+H-HCOOH]+ NA 150.0625 12.75 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH128 Hydroferulic acid [M+H-HCOOH]+ NA 150.0625 12.75 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH128 Hydroferulic acid [M+H-HCOOH]+ NA 150.0625 12.75 Inhousejuil11 NA NA +MJ002367 2,6-Purinediamine C5H6N6 150.065394 NA MeJP NA NA +MJ002368 2'-Hydroxy-4'-methylacetophenone C9H10O2 150.068079 NA MeJP NA NA +MJ002369 2'-Hydroxy-6'-methylacetophenone C9H10O2 150.068079 NA MeJP NA NA +MJ002370 2,5-Dimethylbenzoic acid C9H10O2 150.068079 NA MeJP NA NA +MJ002371 2-(2-Furanyl)-3-methyl-2-butenal C9H10O2 150.068079 NA MeJP NA NA +MJ002372 2-Nonene-4,6-diyne-1,9-diol C9H10O2 150.068079 NA MeJP NA NA +MJ002373 3'-Hydroxy-4'-methylacetophenone C9H10O2 150.068079 NA MeJP NA NA +MJ002374 3,4-Dimethylbenzoic acid C9H10O2 150.068079 NA MeJP NA NA +MJ002375 3-Phenylpropanoic acid C9H10O2 150.068079 NA MeJP NA NA +MJ002376 4'-Hydroxyacetophenone; Me ether C9H10O2 150.068079 NA MeJP NA NA +MJ002377 4-(2-Propenyl)-1,2-benzenediol C9H10O2 150.068079 NA MeJP NA NA +MJ002378 4-Methylphenol; Ac C9H10O2 150.068079 NA MeJP NA NA +MJ002379 5-Ethyl-2-hydroxy-2,4,6-cycloheptatrien-1-one C9H10O2 150.068079 NA MeJP NA NA +MJ002380 7,8-Epoxy-3,5-nonadiyn-1-ol C9H10O2 150.068079 NA MeJP NA NA +MJ002381 Benzoic acid; Et ester C9H10O2 150.068079 NA MeJP NA NA +MJ002382 Benzyl acetate C9H10O2 150.068079 NA MeJP NA NA +MJ002383 Phenylacetic acid; Me ester C9H10O2 150.068079 NA MeJP NA NA +MJ002384 Propyl-1,4-benzoquinone C9H10O2 150.068079 NA MeJP NA NA +MJ002385 Trimethyl-1,4-benzoquinone C9H10O2 150.068079 NA MeJP NA NA +MJ002386 4-Coumaryl alcohol C9H10O2 150.068079 NA MeJP NA NA +MJ002387 Phenylpropanoate C9H10O2 150.068079 NA MeJP NA NA +HMDB00764 Hydrocinnamic acid C9H10O2 150.06808 http://www.hmdb.ca/metabolites/HMDB00764 HMDB NA NA +HMDB02097 4-Ethylbenzoic acid C9H10O2 150.06808 http://www.hmdb.ca/metabolites/HMDB02097 HMDB NA NA +HMDB02222 3-Methylphenylacetic acid C9H10O2 150.06808 http://www.hmdb.ca/metabolites/HMDB02222 HMDB NA NA +HMDB02237 3,4-Dimethylbenzoic acid C9H10O2 150.06808 http://www.hmdb.ca/metabolites/HMDB02237 HMDB NA NA +HMDB03654 4-Coumaryl alcohol C9H10O2 150.06808 http://www.hmdb.ca/metabolites/HMDB03654 HMDB NA NA +MetaCyc00990 benzylacetate [] C9H10O2 150.06808 NA metacyc NA NA +MetaCyc00991 4-vinylguaiacol [] C9H10O2 150.06808 NA metacyc NA NA +MetaCyc00992 3-phenylpropionate [3-phenylpropionic acid;hydrocinnamic acid;HCA;Phenylpropanoate;] C9H10O2 150.06808 2628-17-3 metacyc NA NA +MetaCyc00993 coumaryl-alcohol [] C9H10O2 150.06808 NA metacyc NA NA +HMDB00764 Hydrocinnamic acid C9H10O2 150.06808 HMDB00764 PFEM_hmdb_metabocards_official NA NA +HMDB02097 4-Ethylbenzoic acid C9H10O2 150.06808 HMDB02097 PFEM_hmdb_metabocards_official NA NA +HMDB02222 3-Methylphenylacetic acid C9H10O2 150.06808 HMDB02222 PFEM_hmdb_metabocards_official NA NA +HMDB02237 3,4-Dimethylbenzoic acid C9H10O2 150.06808 HMDB02237 PFEM_hmdb_metabocards_official NA NA +HMDB03654 4-Coumaryl alcohol C9H10O2 150.06808 HMDB03654 PFEM_hmdb_metabocards_official NA NA +HMDB00764 Hydrocinnamic acid C9H10O2 150.068085 NA HMDB2010 NA NA +HMDB02097 4-Ethylbenzoic acid C9H10O2 150.068085 NA HMDB2010 NA NA +HMDB02222 3-Methylphenylacetic acid C9H10O2 150.068085 NA HMDB2010 NA NA +HMDB02237 3,4-Dimethylbenzoic acid C9H10O2 150.068085 NA HMDB2010 NA NA +HMDB03654 4-Coumaryl alcohol C9H10O2 150.068085 NA HMDB2010 NA NA +HMDB11743 2-Phenylpropionate C9H10O2 150.068085 NA HMDB2010 NA NA +C01963 Tolylacetate C9H10O2 150.0681 NA KEGG NA NA +C02646 4-Coumaryl alcohol C9H10O2 150.0681 NA KEGG NA NA +C05629 Phenylpropanoate C9H10O2 150.0681 NA KEGG NA NA +C13342 p-Hydroxypropiophenone C9H10O2 150.0681 NA KEGG NA NA +C13343 Transferred to D01871 C9H10O2 150.0681 NA KEGG NA NA +C13344 Transferred to D01872 C9H10O2 150.0681 NA KEGG NA NA +C13345 Transferred to D01873 C9H10O2 150.0681 NA KEGG NA NA +C13346 Transferred to D01874 C9H10O2 150.0681 NA KEGG NA NA +C13347 Transferred to D01875 C9H10O2 150.0681 NA KEGG NA NA +C13348 Transferred to D01876 C9H10O2 150.0681 NA KEGG NA NA +C13349 Transferred to D01877 C9H10O2 150.0681 NA KEGG NA NA +C13350 Transferred to D01878 C9H10O2 150.0681 NA KEGG NA NA +C13351 Transferred to D01879 C9H10O2 150.0681 NA KEGG NA NA +C13352 Transferred to D01880 C9H10O2 150.0681 NA KEGG NA NA +C13353 Transferred to D01881 C9H10O2 150.0681 NA KEGG NA NA +C13354 Transferred to D01882 C9H10O2 150.0681 NA KEGG NA NA +C15513 Benzyl acetate C9H10O2 150.0681 NA KEGG NA NA +C16706 4-Hydroxydihydrocinnamaldehyde C9H10O2 150.0681 NA KEGG NA NA +MetaCyc00994 N1-methyladenine [] C6H8N5 150.07797 NA metacyc NA NA +C17512 N-Methylanthranilamide C8H10N2O 150.0793 NA KEGG NA NA +MJ002388 7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one C8H10N2O 150.079312 NA MeJP NA NA +3506 ACE inhibitor GKP 150.0835 MH2+ Inhouse_peptide NA peptide +MJ002389 1,2,4,5-Hexanetetrol C6H14O4 150.089208 NA MeJP NA NA +HMDB01878 Thymol C10H14O 150.104462 NA HMDB2010 NA NA +HMDB03647 Perillyl aldehyde C10H14O 150.104462 NA HMDB2010 NA NA +HMDB04487 (+)-(S)-Carvone C10H14O 150.104462 NA HMDB2010 NA NA +MJ002390 1-Acetyl-4-isopropenylcyclopentene C10H14O 150.104465 NA MeJP NA NA +MJ002391 2(10)-Pinen-3-one C10H14O 150.104465 NA MeJP NA NA +MJ002392 2,4,4-Trimethylbicyclo[3.1.1]hept-2-en-6-one C10H14O 150.104465 NA MeJP NA NA +MJ002393 2,4,7-Decatrienal C10H14O 150.104465 NA MeJP NA NA +MJ002394 2,6,6-Trimethyl-1,3-cyclohexadienecarboxaldehyde C10H14O 150.104465 NA MeJP NA NA +MJ002395 2,6,6-Trimethyl-1,4-cyclohexadiene-1-carboxaldehyde C10H14O 150.104465 NA MeJP NA NA +MJ002396 2,6,6-Trimethyl-2,4-cycloheptadien-1-one C10H14O 150.104465 NA MeJP NA NA +MJ002397 2,6,6-Trimethylbicyclo[3.2.0]hept-2-en-7-one C10H14O 150.104465 NA MeJP NA NA +MJ002398 2,6-Decadien-4-yn-1-ol C10H14O 150.104465 NA MeJP NA NA +MJ002399 2-(4-Methylphenyl)-1-propanol C10H14O 150.104465 NA MeJP NA NA +MJ002400 2-(4-Methylphenyl)-2-propanol C10H14O 150.104465 NA MeJP NA NA +MJ002401 2-Caren-10-al C10H14O 150.104465 NA MeJP NA NA +MJ002402 2-Isopropyl-4-methylphenol C10H14O 150.104465 NA MeJP NA NA +MJ002403 2-Isopropyl-5-methylphenol C10H14O 150.104465 NA MeJP NA NA +MJ002404 2-Methyl-1-phenyl-2-propanol C10H14O 150.104465 NA MeJP NA NA +MJ002405 2-Pinen-10-ol, 10-Aldehyde C10H14O 150.104465 NA MeJP NA NA +MJ002406 2-Pinen-4-one C10H14O 150.104465 NA MeJP NA NA +MJ002407 2-Pinen-6-ol, Ketone C10H14O 150.104465 NA MeJP NA NA +MJ002408 3,6,6-Trimethyl-2,4-cycloheptadien-1-one C10H14O 150.104465 NA MeJP NA NA +MJ002409 3,7-Dimethyl-2,4,6-octatrienal C10H14O 150.104465 NA MeJP NA NA +MJ002410 3,9-Epoxy-p-mentha-1,4(8)-diene C10H14O 150.104465 NA MeJP NA NA +MJ002411 3-(4-Methyl-3-pentenyl)furan C10H14O 150.104465 NA MeJP NA NA +MJ002412 3-Caren-2-one C10H14O 150.104465 NA MeJP NA NA +MJ002413 3-Caren-5-one C10H14O 150.104465 NA MeJP NA NA +MJ002414 3-Methyl-2-(3-methyl-2-butenyl)furan C10H14O 150.104465 NA MeJP NA NA +MJ002415 3-Thujen-10-al C10H14O 150.104465 NA MeJP NA NA +MJ002416 3-Thujen-2-one C10H14O 150.104465 NA MeJP NA NA +MJ002417 4,6-Decadiyn-1-ol C10H14O 150.104465 NA MeJP NA NA +MJ002418 4-Butylphenol C10H14O 150.104465 NA MeJP NA NA +MJ002419 4-Isopropyl-2-methylphenol C10H14O 150.104465 NA MeJP NA NA +MJ002420 4-Isopropylbenzyl alcohol C10H14O 150.104465 NA MeJP NA NA +MJ002421 5-Isopropyl-2-methylphenol C10H14O 150.104465 NA MeJP NA NA +MJ002422 Menthofuran C10H14O 150.104465 NA MeJP NA NA +MJ002423 Teresantalol; 8-Aldehyde C10H14O 150.104465 NA MeJP NA NA +MJ002424 p-Mentha-1,4(8)-dien-3-one C10H14O 150.104465 NA MeJP NA NA +MJ002425 p-Mentha-1,8-dien-10-ol, Aldehyde C10H14O 150.104465 NA MeJP NA NA +MJ002426 p-Mentha-1,8-dien-3-one C10H14O 150.104465 NA MeJP NA NA +MJ002427 p-Mentha-1,8-dien-6-one C10H14O 150.104465 NA MeJP NA NA +MJ002428 p-Mentha-1,8-dien-7-al C10H14O 150.104465 NA MeJP NA NA +MJ002429 p-Mentha-2,4(8),5-trien-1-ol C10H14O 150.104465 NA MeJP NA NA +MJ002430 p-Mentha-3,8-dien-2-one C10H14O 150.104465 NA MeJP NA NA +MJ002431 p-Cumic alcohol C10H14O 150.104465 NA MeJP NA NA +MetaCyc00995 adamantanone [tricyclo[3.3.13,7]decan-2-one;] C10H14O1 150.104465 700-58-3 metacyc NA NA +MetaCyc00996 piperitenone [] C10H14O1 150.104465 491-09-8 metacyc NA NA +MetaCyc00997 perillyl aldehyde [Perillaldehyde;] C10H14O1 150.104465 2111-75-3 metacyc NA NA +MetaCyc00998 p-cumic alcohol [4-isopropylbenzyl alcohol;cuminyl alcohol;cuminic alcohol;4-(1-methylethyl)-benzenemethanol;] C10H14O1 150.104465 536-60-7 metacyc NA NA +MetaCyc00999 (+)-sabinone [] C10H14O1 150.104465 NA metacyc NA NA +MetaCyc01000 (+)-menthofuran [menthofuran;] C10H14O1 150.104465 NA metacyc NA NA +MetaCyc01001 (-)-isopiperitenone [] C10H14O1 150.104465 529-01-1 metacyc NA NA +MetaCyc01002 (-)-carvone [] C10H14O1 150.104465 6485-40-1 metacyc NA NA +HMDB01878 Thymol C10H14O 150.10448 http://www.hmdb.ca/metabolites/HMDB01878 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01878 Thymol C10H14O 150.10448 http://www.hmdb.ca/metabolites/HMDB01878 HMDB NA NA +HMDB03647 Perillyl aldehyde C10H14O 150.10448 http://www.hmdb.ca/metabolites/HMDB03647 HMDB NA NA +HMDB04487 (+)-(S)-Carvone C10H14O 150.10448 http://www.hmdb.ca/metabolites/HMDB04487 HMDB NA NA +HMDB01878 Thymol C10H14O 150.10448 http://www.hmdb.ca/metabolites/HMDB01878 PFEM_hmdb_metabocards_blood NA blood +HMDB01878 Thymol C10H14O 150.10448 HMDB01878 PFEM_hmdb_metabocards_official NA NA +HMDB03647 Perillyl aldehyde C10H14O 150.10448 HMDB03647 PFEM_hmdb_metabocards_official NA NA +HMDB04487 (+)-(S)-Carvone C10H14O 150.10448 HMDB04487 PFEM_hmdb_metabocards_official NA NA +C01767 (-)-Carvone C10H14O 150.1045 NA KEGG NA NA +C01768 (Alginate)n C10H14O 150.1045 NA KEGG NA NA +C01868 (+)-Sabinone C10H14O 150.1045 NA KEGG NA NA +C01951 Piperitenone C10H14O 150.1045 NA KEGG NA NA +C01952 Polyarginine C12H26N8O3 150.1045 NA KEGG NA NA +C02289 Isopiperitenone C10H14O 150.1045 NA KEGG NA NA +C02485 (-)-Isopiperitenone C10H14O 150.1045 NA KEGG NA NA +C02576 Perillyl aldehyde C10H14O 150.1045 NA KEGG NA NA +C06576 p-Cumic alcohol C10H14O 150.1045 NA KEGG NA NA +C09840 Carvacrol C10H14O 150.1045 NA KEGG NA NA +C09843 Chrysanthenone C10H14O 150.1045 NA KEGG NA NA +C09868 Menthofuran C10H14O 150.1045 NA KEGG NA NA +C09884 Pinocarvone C10H14O 150.1045 NA KEGG NA NA +C09908 Thymol C10H14O 150.1045 NA KEGG NA NA +C09911 Umbellulone C10H14O 150.1045 NA KEGG NA NA +C09913 Verbenone C10H14O 150.1045 NA KEGG NA NA +C11383 (+)-(S)-Carvone C10H14O 150.1045 NA KEGG NA NA +C11394 (+)-Chrysanthenone C10H14O 150.1045 NA KEGG NA NA +C11939 Myrtenal C10H14O 150.1045 NA KEGG NA NA +C14130 2-tert-Butylphenol C10H14O 150.1045 NA KEGG NA NA +C14138 2-sec-Butylphenol C10H14O 150.1045 NA KEGG NA NA +C14139 4-sec-Butylphenol C10H14O 150.1045 NA KEGG NA NA +C14140 Transferred to D02297 C10H14O 150.1045 NA KEGG NA NA +C14188 3-tert-Butylphenol C10H14O 150.1045 NA KEGG NA NA +C14200 4-tert-Butylphenol C10H14O 150.1045 NA KEGG NA NA +C14464 4-n-Butylphenol C10H14O 150.1045 NA KEGG NA NA +C14741 4-Isopropyl-3-methylphenol C10H14O 150.1045 NA KEGG NA NA +C16955 Eucarvone C10H14O 150.1045 NA KEGG NA NA +C17062 Safranal C10H14O 150.1045 NA KEGG NA NA +C18025 (+)-Menthofuran C10H14O 150.1045 NA KEGG NA NA +CJpos0299 Choline [(M)+(HCOOH)]+ (13C) C513CH16NO3 150.107975 C18rt(min)=0.85 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0299 Choline [(M)+(HCOOH)]+ (13C) C513CH16NO3 150.107975 C18rt(min)=0.85 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ002432 (1-Methyl-2-phenylethyl)hydrazine C9H14N2 150.115698 NA MeJP NA NA +MJ002433 2,5-Dimethyl-3-propylpyrazine C9H14N2 150.115698 NA MeJP NA NA +MJ002434 3,5-Diethyl-2-methylpyrazine C9H14N2 150.115698 NA MeJP NA NA +CJpos0300 Trimethylamine oxide [(2M+H)]+ C6H19N2O2 150.136275 C18rt(min)=0.89 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0300 Trimethylamine oxide [(2M+H)]+ C6H19N2O2 150.136275 C18rt(min)=0.89 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ002435 1,2,3,15-Tetranor-4,6,10-farnesatriene C11H18 150.14085 NA MeJP NA NA +MJ002436 1,3,5-Undecatriene C11H18 150.14085 NA MeJP NA NA +MJ002437 1-(1,3-Hexadienyl)-2-vinylcyclopropane, 3',4'-Dihydro C11H18 150.14085 NA MeJP NA NA +MJ002438 3-(1-Butenyl)-4-vinylcyclopentene, 1',2'-Dihydro C11H18 150.14085 NA MeJP NA NA +MJ002439 4-(1,3-Hexadienyl)-1-cyclopentene, 3',4'-Dihydro C11H18 150.14085 NA MeJP NA NA +MJ002440 6-Butyl-1,4-cycloheptadiene C11H18 150.14085 NA MeJP NA NA +7554 ACE inhibitor from Tricholoma giganteum GEP 150.5575 MH2+ Inhouse_peptide NA peptide +7817 ACE inhibitor from mushroom Tricholoma giganteum GEP 150.5575 MH2+ Inhouse_peptide NA peptide +8190 peptide from buckwheat PW 150.5655 MH2+ Inhouse_peptide NA peptide +3538 ACE inhibitor VSP 150.576 MH2+ Inhouse_peptide NA peptide +MJ002441 Iron phosphate (FePO4) FeO4P 150.888362 NA MeJP NA NA +MJ002442 Manganese(II) sulfate (MnSO4) MnO4S 150.889778 NA MeJP NA NA +HMDB01405 3-Sulfinylpyruvic acid C3H3O5S 150.97012 http://www.hmdb.ca/metabolites/HMDB01405 HMDB NA NA +HMDB01405 3-Sulfinylpyruvic acid C3H3O5S 150.97012 HMDB01405 PFEM_hmdb_metabocards_official NA NA +HMDB01405 3-Sulfinylpyruvic acid C3H3O5S 150.970123 NA HMDB2010 NA NA +MetaCyc01003 3-hydrohydroxyphosphorylpyruvate [] C3H4O5P1 150.979635 144705-32-8 metacyc NA NA +MetaCyc01004 3-mercapto-2-mercaptomethylpropanoate [] C4H7O2S2 150.988746 NA metacyc NA NA +EUR653 Selenomethionine fragment NA 150.990775 1.31 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR653 Selenomethionine fragment NA 150.990775 1.31 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR653 Selenomethionine fragment NA 150.990775 1.31 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR653 Selenomethionine fragment NA 150.990775 1.31 Inhousejuil11 NA NA +MJ002443 1,2-Benzisothiazol-3(2H)-one C7H5NOS 151.009184 NA MeJP NA NA +MJ002444 2-Benzothiazolol C7H5NOS 151.009184 NA MeJP NA NA +CJpos0301 Creatinine (and isomer) [(M+K)]+ C4H7KN3O 151.014275 C18rt(min)=0.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0301 Creatinine (and isomer) [(M+K)]+ C4H7KN3O 151.014275 C18rt(min)=0.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ002445 3-Chloro-1H-indole C8H6ClN 151.018876 NA MeJP NA NA +MetaCyc01005 4-chlorophenylacetonitrile [] C8H6N1CL1 151.018877 140-53-4 metacyc NA NA +C03679 4-Chlorophenylacetonitrile C8H6ClN 151.0189 NA KEGG NA NA +C17089 6-Chloroindole C8H6ClN 151.0189 NA KEGG NA NA +JH021 Pyroglutamic acid (DL) [M+Na]+ NA 151.0245 2.45 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH021 Pyroglutamic acid (DL) [M+Na]+ NA 151.0245 2.45 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH021 Pyroglutamic acid (DL) [M+Na]+ NA 151.0245 2.45 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH021 Pyroglutamic acid (DL) [M+Na]+ NA 151.0245 2.45 Inhousejuil11 NA NA +C04584 6-Imino-5-oxocyclohexa-1,3-dienecarboxylate C7H5NO3 151.0269 NA KEGG NA NA +MJ002446 1,2-Benzisoxazole-3,6-diol C7H5NO3 151.026943 NA MeJP NA NA +MJ002447 4-Hydroxy-3-nitrosobenzaldehyde C7H5NO3 151.026943 NA MeJP NA NA +MetaCyc01006 4-nitrobenzaldehyde [4NBZ;] C7H5N1O3 151.026943 555-16-8 metacyc NA NA +MetaCyc01007 6-imino-5-oxocyclohexa-1,3-dienecarboxylate [] C7H5N1O3 151.026943 NA metacyc NA NA +MJ002448 2-Amino-3-fluorobutanedioic acid C4H6FNO4 151.028085 NA MeJP NA NA +MJ002449 S-Methylcysteine sulfoxide; (S)C(S)S-form C4H9NO3S 151.030313 NA MeJP NA NA +CJneg0140 Creatinine (and isomer) [(M+Cl)]- (37Cl) C4H7Cl037ClN3O 151.033225 C18rt(min)=0.87 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0140 Creatinine (and isomer) [(M+Cl)]- (37Cl) C4H7Cl037ClN3O 151.033225 C18rt(min)=0.87 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +JH044 Guanine C5H5N5O 151.0372 Rtobs1.23 PFEM_hmdb_metabocards_urine NA urine +JH044 Guanine [M+H]+ C5H5N5O 151.0372 1.23 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH044 Guanine C5H5N5O 151.0372 Rtobs1.23 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH044 Guanine [M+H]+ C5H5N5O 151.0372 1.23 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH044 Guanine C5H5N5O 151.0372 Rtobs1.23 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH044 Guanine [M+H]+ C5H5N5O 151.0372 1.23 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH044 Guanine C5H5N5O 151.0372 Rtobs1.23 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH044 Guanine C5H5N5O 151.0372 Rtobs1.23 HMDB NA NA +JH044 Guanine C5H5N5O 151.0372 Rtobs1.23 Inhouse_PFEM NA NA +JH044 Guanine [M+H]+ C5H5N5O 151.0372 1.23 Inhousejuil11 NA NA +JH044 Guanine C5H5N5O 151.0372 Rtobs1.23 PFEM_hmdb_metabocards_blood NA blood +JH044 Guanine C5H5N5O 151.0372 Rtobs1.23 PFEM_hmdb_metabocards_official NA NA +MJ002450 2-Amino-4-chloropentanoic acid C5H10ClNO2 151.040006 NA MeJP NA NA +C02419 Hypotaurocyamine C3H9N3O2S 151.0415 NA KEGG NA NA +MJ002451 2-(Hydroxymethyl)-2-nitro-1,3-propanediol C4H9NO5 151.048072 NA MeJP NA NA +CJpos0302 Guanine [(M+H)]+ C5H6N5O 151.048875 C18rt(min)=1.09 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0302 Guanine [(M+H)]+ C5H6N5O 151.048875 C18rt(min)=1.09 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C00242 Guanine C5H5N5O 151.0494 NA KEGG NA NA +HMDB00132 Guanine C5H5N5O 151.049408 NA HMDB2010 NA NA +HMDB00403 2-Hydroxyadenine C5H5N5O 151.049408 NA HMDB2010 NA NA +HMDB00542 8-Hydroxyadenine C5H5N5O 151.049408 NA HMDB2010 NA NA +MJ002452 Guanine C5H5N5O 151.049409 NA MeJP NA NA +MJ002453 4-Amino-3-hydroxy-1H-pyrazolo[3,4-d]pyrimidine C5H5N5O 151.049409 NA MeJP NA NA +MJ002454 6-Amino-2-hydroxypurine C5H5N5O 151.049409 NA MeJP NA NA +MJ002455 6-Amino-8-hydroxypurine C5H5N5O 151.049409 NA MeJP NA NA +MJ002456 Guanine C5H5N5O 151.049409 NA MeJP NA NA +HMDB00132 Guanine C5H5N5O 151.04941 http://www.hmdb.ca/metabolites/HMDB00132 PFEM_hmdb_metabocards_urine NA urine +HMDB00132 Guanine C5H5N5O 151.04941 http://www.hmdb.ca/metabolites/HMDB00132 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00132 Guanine C5H5N5O 151.04941 http://www.hmdb.ca/metabolites/HMDB00132 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00132 Guanine C5H5N5O 151.04941 http://www.hmdb.ca/metabolites/HMDB00132 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00132 Guanine C5H5N5O 151.04941 http://www.hmdb.ca/metabolites/HMDB00132 HMDB NA NA +HMDB00403 2-Hydroxyadenine C5H5N5O 151.04941 http://www.hmdb.ca/metabolites/HMDB00403 HMDB NA NA +HMDB00542 8-Hydroxyadenine C5H5N5O 151.04941 http://www.hmdb.ca/metabolites/HMDB00542 HMDB NA NA +MetaCyc01008 guanine [] C5H5N5O1 151.04941 73-40-5 metacyc NA NA +HMDB00132 Guanine C5H5N5O 151.04941 http://www.hmdb.ca/metabolites/HMDB00132 PFEM_hmdb_metabocards_blood NA blood +HMDB00132 Guanine C5H5N5O 151.04941 HMDB00132 PFEM_hmdb_metabocards_official NA NA +HMDB00403 2-Hydroxyadenine C5H5N5O 151.04941 HMDB00403 PFEM_hmdb_metabocards_official NA NA +HMDB00542 8-Hydroxyadenine C5H5N5O 151.04941 HMDB00542 PFEM_hmdb_metabocards_official NA NA +PARAC015 Paracetamol C8H9NO2 151.0558 RT5.1 PFEM_hmdb_metabocards_urine NA urine +PARAC015 Paracetamol C8H9NO2 151.0558 RT5.1 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC015 Paracetamol C8H9NO2 151.0558 RT5.1 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC015 Paracetamol C8H9NO2 151.0558 RT5.1 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC015 Paracetamol C8H9NO2 151.0558 RT5.1 HMDB NA NA +PARAC015 Paracetamol C8H9NO2 151.0558 RT5.1 Inhouse_PFEM NA NA +PARAC015 Paracetamol C8H9NO2 151.0558 RT5.1 PFEM_hmdb_metabocards_blood NA blood +PARAC015 Paracetamol C8H9NO2 151.0558 RT5.1 PFEM_hmdb_metabocards_official NA NA +CJneg0141 Pentose [(M-H)]- (13C) C413CH9O5 151.056725 C18rt(min)=0.95 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0141 Pentose [(M-H)]- (13C) C413CH9O5 151.056725 C18rt(min)=0.95 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0303 Methylinosine [(M+H)-(C5H8O4)]+ (13C) C513CH7N4O 151.056975 C18rt(min)=4.45 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0303 Methylinosine [(M+H)-(C5H8O4)]+ (13C) C513CH7N4O 151.056975 C18rt(min)=4.45 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +EUR254 Norepinephrine F2 F2 151.057475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR254 Norepinephrine F2 NA 151.057475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR254 Norepinephrine F2 F2 151.057475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR254 Norepinephrine F2 NA 151.057475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR254 Norepinephrine F2 F2 151.057475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR254 Norepinephrine F2 NA 151.057475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR254 Norepinephrine F2 F2 151.057475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR254 Norépinephrine F2 F2 151.057475 standards wishlist analysés sur QTOF HMDB NA NA +EUR254 Norepinephrine F2 F2 151.057475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR254 Norepinephrine F2 NA 151.057475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR254 Norepinephrine F2 F2 151.057475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR254 Norepinephrine F2 F2 151.057475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR320 Pyridoxine F2 F2 151.059475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR320 Pyridoxine F2 NA 151.059475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR320 Pyridoxine F2 F2 151.059475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR320 Pyridoxine F2 NA 151.059475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR320 Pyridoxine F2 F2 151.059475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR320 Pyridoxine F2 NA 151.059475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR320 Pyridoxine F2 F2 151.059475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR320 Pyridoxine F2 F2 151.059475 standards wishlist analysés sur QTOF HMDB NA NA +EUR320 Pyridoxine F2 F2 151.059475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR320 Pyridoxine F2 NA 151.059475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR320 Pyridoxine F2 F2 151.059475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR320 Pyridoxine F2 F2 151.059475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0304 Hippuric acid [(M+H)-(CO)]+ C8H10NO2 151.062775 C18rt(min)=5.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0305 Acetaminophen [(M+H)]+ C8H10NO2 151.062775 C18rt(min)=4.86 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0306 Acetaminophen glucuronide [(M+H)-(C6H8O6)]+ C8H10NO2 151.062775 C18rt(min)=4.12 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0307 Acetaminophen isomer [(M+H)]+ C8H10NO2 151.062775 C18rt(min)=5.7 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0304 Hippuric acid [(M+H)-(CO)]+ C8H10NO2 151.062775 C18rt(min)=5.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0305 Acetaminophen [(M+H)]+ C8H10NO2 151.062775 C18rt(min)=4.86 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0306 Acetaminophen glucuronide [(M+H)-(C6H8O6)]+ C8H10NO2 151.062775 C18rt(min)=4.12 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0307 Acetaminophen isomer [(M+H)]+ C8H10NO2 151.062775 C18rt(min)=5.7 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C02709 N-(Acetyloxy)benzenamine C8H9NO2 151.0633 NA KEGG NA NA +C03005 N-Methylanthranilate C8H9NO2 151.0633 NA KEGG NA NA +C03522 N-Methyl-4-aminobenzoate C8H9NO2 151.0633 NA KEGG NA NA +C03523 N-Substituted amino acid C3H3NO3R2 151.0633 NA KEGG NA NA +C04350 (E)-4-Hydroxyphenylacetaldehyde-oxime C8H9NO2 151.0633 NA KEGG NA NA +C04353 (Z)-4-Hydroxyphenylacetaldehyde-oxime C8H9NO2 151.0633 NA KEGG NA NA +C06804 Acetaminophen C8H9NO2 151.0633 NA KEGG NA NA +C07301 (R)-Mandelamide C8H9NO2 151.0633 NA KEGG NA NA +C16571 2-Amino-3-methylbenzoate C8H9NO2 151.0633 NA KEGG NA NA +C17755 Dopamine quinone C8H9NO2 151.0633 NA KEGG NA NA +C17756 2-Descarboxy-cyclo-dopa C8H9NO2 151.0633 NA KEGG NA NA +HMDB01859 Acetaminophen C8H9NO2 151.06332 http://www.hmdb.ca/metabolites/HMDB01859 HMDB NA NA +HMDB02210 2-Phenylglycine C8H9NO2 151.06332 http://www.hmdb.ca/metabolites/HMDB02210 HMDB NA NA +HMDB01859 Acetaminophen C8H9NO2 151.06332 HMDB01859 PFEM_hmdb_metabocards_official NA NA +HMDB02210 2-Phenylglycine C8H9NO2 151.06332 HMDB02210 PFEM_hmdb_metabocards_official NA NA +HMDB01859 Acetaminophen C8H9NO2 151.063324 NA HMDB2010 NA NA +HMDB02210 2-Phenylglycine C8H9NO2 151.063324 NA HMDB2010 NA NA +HMDB12219 Dopamine quinone C8H9NO2 151.063324 NA HMDB2010 NA NA +MJ002457 4-Hydroxyphenylacetaldoxime C8H9NO2 151.063328 NA MeJP NA NA +MJ002458 (4-Hydroxyphenyl)acetaldehyde; Oxime C8H9NO2 151.063328 NA MeJP NA NA +MJ002459 1-Nitro-2-phenylethane C8H9NO2 151.063328 NA MeJP NA NA +MJ002460 2'-Amino-3'-hydroxyacetophenone C8H9NO2 151.063328 NA MeJP NA NA +MJ002461 2'-Amino-5'-hydroxyacetophenone C8H9NO2 151.063328 NA MeJP NA NA +MJ002462 2-(Methylamino)benzoic acid C8H9NO2 151.063328 NA MeJP NA NA +MJ002463 2-Aminobenzoic acid; Me ester C8H9NO2 151.063328 NA MeJP NA NA +MJ002464 2-Aminophenol; N-Ac C8H9NO2 151.063328 NA MeJP NA NA +MJ002465 2-Hydroxy-3-methylbenzoic acid; Amide C8H9NO2 151.063328 NA MeJP NA NA +MJ002466 3-Aminophenol; N-Ac C8H9NO2 151.063328 NA MeJP NA NA +MJ002467 3-Pyridinecarboxylic acid; Et ester C8H9NO2 151.063328 NA MeJP NA NA +MJ002468 4-Aminophenol; N-Ac C8H9NO2 151.063328 NA MeJP NA NA +MJ002469 Coclauril C8H9NO2 151.063328 NA MeJP NA NA +MJ002470 Danaidal; 7R-Hydroxy C8H9NO2 151.063328 NA MeJP NA NA +MJ002471 Loroquine C8H9NO2 151.063328 NA MeJP NA NA +MetaCyc01009 R-mandelamide [] C8H9N1O2 151.063329 NA metacyc NA NA +MetaCyc01010 acetaminophen [tylenol;paracetamol;datril;] C8H9N1O2 151.063329 NA metacyc NA NA +MetaCyc01011 (Z)-4-hydroxyphenylacetaldehyde oxime [(Z)-p-hydroxyphenylacetaldehyde oxime;] C8H9N1O2 151.063329 NA metacyc NA NA +MetaCyc01012 N-Methylanthranilate [N-Methylanthranilic acid;2-(Methylamino)benzoic acid;] C8H9N1O2 151.063329 119-68-6 metacyc NA NA +MetaCyc01013 (Z)-4-hydroxyphenylacetaldehyde oxime [(E)-[p-hydroxyphenylacetaldehyde oxime];4-hydroxyphenylacetaldehyde oxime;p-hydroxyphenylacetaldehyde oxime;p-hydroxyphenylacetaldoxime;] C8H9N1O2 151.063329 NA metacyc NA NA +MetaCyc01014 (E)-4-hydroxyphenylacetaldehyde oxime [(E)-4-hydroxyphenylacetaldoxime;(E)-p-hydroxyphenylacetaldehyde oxime;] C8H9N1O2 151.063329 NA metacyc NA NA +CJneg0142 Acetaminophen [(M-H)]- C8H8NO2 151.063925 C18rt(min)=4.86 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0142 Acetaminophen [(M-H)]- C8H8NO2 151.063925 C18rt(min)=4.86 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ002472 1-Phenylsemicarbazide C7H9N3O 151.074561 NA MeJP NA NA +C05026 N3-Metyladenine C6H9N5 151.0858 NA KEGG NA NA +7586 ACE inhibitor KR 151.0975 MH2+ Inhouse_peptide NA peptide +C02343 (+)-Norephedrine C9H13NO 151.0997 NA KEGG NA NA +C02442 N-Methyltyramine C9H13NO 151.0997 NA KEGG NA NA +C02444 N6-Acyl-L-lysine C7H13N2O3R 151.0997 NA KEGG NA NA +C03711 N-Methylphenylethanolamine C9H13NO 151.0997 NA KEGG NA NA +C07911 Phenylpropanolamine C9H13NO 151.0997 NA KEGG NA NA +C08300 D-Cathine C9H13NO 151.0997 NA KEGG NA NA +C10158 Mearsine C9H13NO 151.0997 NA KEGG NA NA +C11776 alpha-Methyl-m-tyramine C9H13NO 151.0997 NA KEGG NA NA +C16719 (-)-Norephedrine C9H13NO 151.0997 NA KEGG NA NA +C16720 Peptide 2-[3-carboxy-3-(dimethylammonio)propyl]-L-histidine C13H19N5O4R2 151.0997 NA KEGG NA NA +MJ002473 N-Methyltyramine C9H13NO 151.099714 NA MeJP NA NA +MJ002474 2,4,6,6-Tetramethyl-3(6H)-pyridinone C9H13NO 151.099714 NA MeJP NA NA +MJ002475 2-(4-Methoxyphenyl)ethylamine C9H13NO 151.099714 NA MeJP NA NA +MJ002476 2-Amino-1-phenyl-1-propanol C9H13NO 151.099714 NA MeJP NA NA +MJ002477 3-(2-Aminopropyl)phenol C9H13NO 151.099714 NA MeJP NA NA +MJ002478 4-(2-Aminoethyl)phenol; N-Me C9H13NO 151.099714 NA MeJP NA NA +MJ002479 4-(2-Aminopropyl)phenol C9H13NO 151.099714 NA MeJP NA NA +MJ002480 Halostachine C9H13NO 151.099714 NA MeJP NA NA +MJ002481 Pulchellalactam C9H13NO 151.099714 NA MeJP NA NA +MetaCyc01015 N-methylphenylethanolamine [] C9H13N1O1 151.099714 68579-60-2 metacyc NA NA +MetaCyc01016 N-methyltyramine [] C9H13N1O1 151.099714 370-98-9 metacyc NA NA +HMDB01387 N-Methylphenylethanolamine C9H13NO 151.099716 NA HMDB2010 NA NA +HMDB01942 Phenylpropanolamine C9H13NO 151.099716 NA HMDB2010 NA NA +HMDB03633 N-Methyltyramine C9H13NO 151.099716 NA HMDB2010 NA NA +HMDB01942 Phenylpropanolamine C9H13NO 151.09972 http://www.hmdb.ca/metabolites/HMDB01942 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01387 N-Methylphenylethanolamine C9H13NO 151.09972 http://www.hmdb.ca/metabolites/HMDB01387 HMDB NA NA +HMDB01942 Phenylpropanolamine C9H13NO 151.09972 http://www.hmdb.ca/metabolites/HMDB01942 HMDB NA NA +HMDB03633 N-Methyltyramine C9H13NO 151.09972 http://www.hmdb.ca/metabolites/HMDB03633 HMDB NA NA +HMDB01942 Phenylpropanolamine C9H13NO 151.09972 http://www.hmdb.ca/metabolites/HMDB01942 PFEM_hmdb_metabocards_blood NA blood +HMDB01387 N-Methylphenylethanolamine C9H13NO 151.09972 HMDB01387 PFEM_hmdb_metabocards_official NA NA +HMDB01942 Phenylpropanolamine C9H13NO 151.09972 HMDB01942 PFEM_hmdb_metabocards_official NA NA +HMDB03633 N-Methyltyramine C9H13NO 151.09972 HMDB03633 PFEM_hmdb_metabocards_official NA NA +MJ002482 4-(4-Methyl-3-pyrrolidinyl)-1H-imidazole C8H13N3 151.110947 NA MeJP NA NA +MJ002483 1-Aminoadamantane C10H17N 151.136099 NA MeJP NA NA +MJ002484 2,3,4,5-Tetrahydro-6-(4-pentenyl)pyridine C10H17N 151.136099 NA MeJP NA NA +MJ002485 4-Hydroxy-2-(1,3-pentadienyl)piperidine, 4-Deoxy C10H17N 151.136099 NA MeJP NA NA +C06818 Amantadine C10H17N 151.1361 NA KEGG NA NA +CJpos0308 Trimethylamine oxide [(2M+H)]+ (13C) C513CH19N2O2 151.139675 C18rt(min)=0.89 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0308 Trimethylamine oxide [(2M+H)]+ (13C) C513CH19N2O2 151.139675 C18rt(min)=0.89 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +17 Actomyosin VW 151.5735 MH2+ Inhouse_peptide NA peptide +3486 ACE inhibitor from sake lees VW 151.5735 MH2+ Inhouse_peptide NA peptide +MJ002486 Chromium(III) oxide (Cr2O3) Cr2O3 151.865767 NA MeJP NA NA +C07561 Carbon tetrachloride CCl4 151.8754 NA KEGG NA NA +C07562 Transferred to D00558 CCl4 151.8754 NA KEGG NA NA +C07563 Transferred to D00559 CCl4 151.8754 NA KEGG NA NA +MJ002487 Carbon tetrachloride CCl4 151.87541 NA MeJP NA NA +MetaCyc01017 carbon tetrachloride [carbon tet;CT;methane tetrachloride;perchorormethane;carbon chloride;tetrachorocarbon;carbona;tetrachloromethane;CCl4;] C1CL4 151.875411 56-23-5 metacyc NA NA +MJ002488 Iron(II) sulfate (FeSO4) FeO4S 151.886671 NA MeJP NA NA +MJ002489 Potassium peroxymonosulfate HKO5S 151.918175 NA MeJP NA NA +C05527 3-Sulfinylpyruvate C3H4O5S 151.9779 NA KEGG NA NA +HMDB02332 b-Sulfinyl pyruvate C3H4O5S 151.97794 http://www.hmdb.ca/metabolites/HMDB02332 HMDB NA NA +HMDB02332 b-Sulfinyl pyruvate C3H4O5S 151.97794 HMDB02332 PFEM_hmdb_metabocards_official NA NA +MJ002490 3-Sulfinylpyruvate C3H4O5S 151.977943 NA MeJP NA NA +MetaCyc01018 3-sulfinyl-pyruvate [3-sulphinyl-pyruvate;β-sulfinylpyruvate;] C3H4O5S1 151.977944 NA metacyc NA NA +HMDB02332 B-Sulfinyl pyruvate C3H4O5S 151.977951 NA HMDB2010 NA NA +MJ002491 3,5-Dimethyl-1,2,4-trithiolane C4H8S3 151.978812 NA MeJP NA NA +MJ002492 Methyl 2-propenyl trisulfide C4H8S3 151.978812 NA MeJP NA NA +C06368 3-(Hydrohydroxyphosphoryl)pyruvate C3H5O5P 151.9875 NA KEGG NA NA +MJ002493 3-Mercapto-2-(mercaptomethyl)propanoic acid C4H8O2S2 151.99657 NA MeJP NA NA +MetaCyc01019 oxidized dithiothreitol [] C4H8O2S2 151.996571 51621-02-4 metacyc NA NA +MetaCyc01020 4,5-cis-dihydroxy-1,2-dithiacyclohexane [] C4H8O2S2 151.996571 NA metacyc NA NA +C01119 Oxidized dithiothreitol C4H8O2S2 151.9966 NA KEGG NA NA +C04371 3-Mercapto-2-mercaptomethylpropanoate C4H8O2S2 151.9966 NA KEGG NA NA +C04372 3-O-L-Alanyl-1-O-phosphatidylglycerol C11H18NO11PR2 151.9966 NA KEGG NA NA +C06484 4,5-cis-Dihydroxy-1,2-dithiacyclohexane C4H8O2S2 151.9966 NA KEGG NA NA +HMDB00996 3-Sulfinoalanine C3H6NO4S 152.00175 http://www.hmdb.ca/metabolites/HMDB00996 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00996 3-Sulfinoalanine C3H6NO4S 152.00175 http://www.hmdb.ca/metabolites/HMDB00996 HMDB NA NA +HMDB00996 3-Sulfinoalanine C3H6NO4S 152.00175 http://www.hmdb.ca/metabolites/HMDB00996 PFEM_hmdb_metabocards_blood NA blood +HMDB00996 3-Sulfinoalanine C3H6NO4S 152.00175 HMDB00996 PFEM_hmdb_metabocards_official NA NA +HMDB00996 3-Sulfinoalanine C3H6NO4S 152.001755 NA HMDB2010 NA NA +HMDB00996 3-Sulfinoalanine C3H6NO4S 152.00176 Short chain acyl carnitines ;SYN:Tiglyl-l-carnitineH2Blood; Urine Inhouse_peptide NA peptide +JH186 Naringenin (C7H4O4) NA 152.01097 17.87 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH186 Naringenin (C7H4O4) NA 152.01097 17.87 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH186 Naringenin (C7H4O4) NA 152.01097 17.87 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH186 Naringenin (C7H4O4) NA 152.01097 17.87 Inhousejuil11 NA NA +MJ002494 1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidine-4-thione C5H4N4S 152.015666 NA MeJP NA NA +MJ002495 6-Purinethiol C5H4N4S 152.015666 NA MeJP NA NA +C01756 Thiopurine C5H4N4S 152.0157 NA KEGG NA NA +C02380 6-Mercaptopurine C5H4N4S 152.0157 NA KEGG NA NA +PFEM089F1 Xanthine F1 152.0196 NA Inhouse_original NA NA +EUR317 Xanthine F1 C5H4N4O2 152.029575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR317 Xanthine F1 NA 152.029575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR317 Xanthine F1 C5H4N4O2 152.029575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR317 Xanthine F1 NA 152.029575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR317 Xanthine F1 C5H4N4O2 152.029575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR317 Xanthine F1 NA 152.029575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR317 Xanthine F1 C5H4N4O2 152.029575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR317 Xanthine F1 C5H4N4O2 152.029575 standards wishlist analysés sur QTOF HMDB NA NA +EUR317 Xanthine F1 C5H4N4O2 152.029575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR317 Xanthine F1 NA 152.029575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR317 Xanthine F1 C5H4N4O2 152.029575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR317 Xanthine F1 C5H4N4O2 152.029575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0309 Xanthosine [(M+H)-(C5H8O4)]+ C5H5N4O2 152.032875 C18rt(min)=4.27 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0310 Xanthine [(M+H)]+ C5H5N4O2 152.032875 C18rt(min)=1.08 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0311 Xanthine [(M+H)]+ C5H5N4O2 152.032875 C18rt(min)=1.84 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0309 Xanthosine [(M+H)-(C5H8O4)]+ C5H5N4O2 152.032875 C18rt(min)=4.27 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0310 Xanthine [(M+H)]+ C5H5N4O2 152.032875 C18rt(min)=1.08 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0311 Xanthine [(M+H)]+ C5H5N4O2 152.032875 C18rt(min)=1.84 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +EUR068 Xanthine C5H4N4O2 152.0334 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR068 Xanthine C5H4N4O2 152.0334 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR068 Xanthine C5H4N4O2 152.0334 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR068 Xanthine C5H4N4O2 152.0334 Wishlist Inhousejuil11 NA NA +C00385 Xanthine C5H4N4O2 152.0334 NA KEGG NA NA +C07599 Alloxanthine C5H4N4O2 152.0334 NA KEGG NA NA +MJ002496 1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione C5H4N4O2 152.033425 NA MeJP NA NA +MJ002497 Xanthine C5H4N4O2 152.033425 NA MeJP NA NA +MetaCyc01021 xanthine [2,6-dioxopurine;] C5H4N4O2 152.033425 69-89-6 metacyc NA NA +EUR068 Xanthine C5H4N4O2 152.033426 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR068 Xanthine C5H4N4O2 152.033426 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR068 Xanthine C5H4N4O2 152.033426 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR068 Xanthine C5H4N4O2 152.033426 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR068 Xanthine C5H4N4O2 152.033426 Wishlist HMDB NA NA +EUR068 Xanthine C5H4N4O2 152.033426 Wishlist Inhouse_PFEM NA NA +EUR068 Xanthine C5H4N4O2 152.033426 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR068 Xanthine C5H4N4O2 152.033426 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00786 Oxypurinol C5H4N4O2 152.03343 http://www.hmdb.ca/metabolites/HMDB00786 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00786 Oxypurinol C5H4N4O2 152.03343 http://www.hmdb.ca/metabolites/HMDB00786 HMDB NA NA +HMDB01182 6,8-Dihydroxypurine C5H4N4O2 152.03343 http://www.hmdb.ca/metabolites/HMDB01182 HMDB NA NA +HMDB00786 Oxypurinol C5H4N4O2 152.03343 http://www.hmdb.ca/metabolites/HMDB00786 PFEM_hmdb_metabocards_blood NA blood +HMDB00786 Oxypurinol C5H4N4O2 152.03343 HMDB00786 PFEM_hmdb_metabocards_official NA NA +HMDB01182 6,8-Dihydroxypurine C5H4N4O2 152.03343 HMDB01182 PFEM_hmdb_metabocards_official NA NA +HMDB00292 Xanthine C5H4N4O2 152.033432 NA HMDB2010 NA NA +HMDB00786 Oxypurinol C5H4N4O2 152.033432 NA HMDB2010 NA NA +HMDB01182 6,8-Dihydroxypurine C5H4N4O2 152.033432 NA HMDB2010 NA NA +MetaCyc01022 phenylthiourea [] C7H8N2S1 152.040819 NA metacyc NA NA +JH046 Hydroxyphenylacetic acid (p-) [M+H]+ C8H8O3 152.0434 10.79 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH046 Hydroxyphenylacetic acid (p-) [M+H]+ C8H8O3 152.0434 10.79 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH046 Hydroxyphenylacetic acid (p-) [M+H]+ C8H8O3 152.0434 10.79 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH046 Hydroxyphenylacetic acid (p-) [M+H]+ C8H8O3 152.0434 10.79 Inhousejuil11 NA NA +LABER028 4-hydroxyphenylacetic trouve pas m/z 217 152.043748 NA PFEM_hmdb_metabocards_urine NA urine +LABER028 4-hydroxyphenylacetic trouve pas m/z 217 152.043748 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER028 4-hydroxyphenylacetic trouve pas m/z 217 152.043748 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER028 4-hydroxyphenylacetic trouve pas m/z 217 152.043748 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER028 4-hydroxyphenylacetic trouve pas m/z 217 152.043748 NA HMDB NA NA +LABER028 4-hydroxyphenylacetic trouve pas m/z 217 152.043748 NA Inhouse_PFEM NA NA +LABER028 4-hydroxyphenylacetic trouve pas m/z 217 152.043748 NA Inhousejuil11 NA NA +LABER028 4-hydroxyphenylacetic trouve pas m/z 217 152.043748 NA PFEM_hmdb_metabocards_blood NA blood +LABER028 4-hydroxyphenylacetic trouve pas m/z 217 152.043748 NA PFEM_hmdb_metabocards_official NA NA +MJ002498 Bis(2-aminoethyl) disulfide C4H12N2S2 152.044189 NA MeJP NA NA +MJ002499 5-Amino-1,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one C4H4N6O 152.044658 NA MeJP NA NA +HMDB01067 N-Acetylaspartylglutamic acid C11H16N2O8 152.045334 MH2+ Inhouse_peptide NA peptide +C00642 4-Hydroxyphenylacetate C8H8O3 152.0473 NA KEGG NA NA +C00755 4-Hydroxy-3-methoxy-benzaldehyde C8H8O3 152.0473 NA KEGG NA NA +C01983 (R)-Mandelate C8H8O3 152.0473 NA KEGG NA NA +C01984 (S)-Mandelate C8H8O3 152.0473 NA KEGG NA NA +C01985 11-Oxosteroid C8H8O3 152.0473 NA KEGG NA NA +C02181 Phenoxyacetate C8H8O3 152.0473 NA KEGG NA NA +C02519 4-Methoxybenzoate C8H8O3 152.0473 NA KEGG NA NA +C02520 5'-Ribonucleotide C5H10O7PR 152.0473 NA KEGG NA NA +C02521 5S-rRNA precursor C10H17O10PR2 152.0473 NA KEGG NA NA +C02639 3-Methoxytropolone C8H8O3 152.0473 NA KEGG NA NA +C02657 6-Methylsalicylate C8H8O3 152.0473 NA KEGG NA NA +C02658 Aldoxime CH2NOR 152.0473 NA KEGG NA NA +C03663 2',4'-Dihydroxyacetophenone C8H8O3 152.0473 NA KEGG NA NA +C04043 3,4-Dihydroxyphenylacetaldehyde C8H8O3 152.0473 NA KEGG NA NA +C05593 3-Hydroxyphenylacetate C8H8O3 152.0473 NA KEGG NA NA +C05852 2-Hydroxyphenylacetate C8H8O3 152.0473 NA KEGG NA NA +C10675 3',4'-Dihydroxyacetophenone C8H8O3 152.0473 NA KEGG NA NA +C10804 2-(Hydroxymethyl)benzoic acid C8H8O3 152.0473 NA KEGG NA NA +C12064 Resorcinol monoacetate C8H8O3 152.0473 NA KEGG NA NA +C12305 Methyl salicylate C8H8O3 152.0473 NA KEGG NA NA +C13635 4-Hydroxyphenacyl alcohol C8H8O3 152.0473 NA KEGG NA NA +C13636 4-Hydroxyphenyl acetate C8H8O3 152.0473 NA KEGG NA NA +C14088 3-Methylsalicylate C8H8O3 152.0473 NA KEGG NA NA +C14103 4-Methylsalicylate C8H8O3 152.0473 NA KEGG NA NA +C14108 4-Hydroxymethylsalicylaldehyde C8H8O3 152.0473 NA KEGG NA NA +C17900 Menisdaurilide C8H8O3 152.0473 NA KEGG NA NA +HMDB00020 p-Hydroxyphenylacetic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB00020 PFEM_hmdb_metabocards_urine NA urine +HMDB00440 3-Hydroxyphenylacetic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB00440 PFEM_hmdb_metabocards_urine NA urine +HMDB04815 4-Hydroxy-3-methylbenzoic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB04815 PFEM_hmdb_metabocards_urine NA urine +HMDB00020 p-Hydroxyphenylacetic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB00020 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00440 3-Hydroxyphenylacetic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB00440 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00020 p-Hydroxyphenylacetic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB00020 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00440 3-Hydroxyphenylacetic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB00440 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04815 4-Hydroxy-3-methylbenzoic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB04815 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00020 p-Hydroxyphenylacetic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB00020 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00440 3-Hydroxyphenylacetic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB00440 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04815 4-Hydroxy-3-methylbenzoic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB04815 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00020 p-Hydroxyphenylacetic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB00020 HMDB NA NA +HMDB00440 3-Hydroxyphenylacetic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB00440 HMDB NA NA +HMDB00669 ortho-Hydroxyphenylacetic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB00669 HMDB NA NA +HMDB00703 Mandelic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB00703 HMDB NA NA +HMDB01101 p-Anisic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB01101 HMDB NA NA +HMDB02390 3-Cresotinic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB02390 HMDB NA NA +HMDB03791 3,4-Dihydroxyphenylacetaldehyde C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB03791 HMDB NA NA +HMDB04815 4-Hydroxy-3-methylbenzoic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB04815 HMDB NA NA +HMDB00020 p-Hydroxyphenylacetic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB00020 PFEM_hmdb_metabocards_blood NA blood +HMDB00440 3-Hydroxyphenylacetic acid C8H8O3 152.04733 http://www.hmdb.ca/metabolites/HMDB00440 PFEM_hmdb_metabocards_blood NA blood +HMDB00020 p-Hydroxyphenylacetic acid C8H8O3 152.04733 HMDB00020 PFEM_hmdb_metabocards_official NA NA +HMDB00440 3-Hydroxyphenylacetic acid C8H8O3 152.04733 HMDB00440 PFEM_hmdb_metabocards_official NA NA +HMDB00669 ortho-Hydroxyphenylacetic acid C8H8O3 152.04733 HMDB00669 PFEM_hmdb_metabocards_official NA NA +HMDB00703 Mandelic acid C8H8O3 152.04733 HMDB00703 PFEM_hmdb_metabocards_official NA NA +HMDB01101 p-Anisic acid C8H8O3 152.04733 HMDB01101 PFEM_hmdb_metabocards_official NA NA +HMDB02390 3-Cresotinic acid C8H8O3 152.04733 HMDB02390 PFEM_hmdb_metabocards_official NA NA +HMDB03791 3,4-Dihydroxyphenylacetaldehyde C8H8O3 152.04733 HMDB03791 PFEM_hmdb_metabocards_official NA NA +HMDB04815 4-Hydroxy-3-methylbenzoic acid C8H8O3 152.04733 HMDB04815 PFEM_hmdb_metabocards_official NA NA +MJ002500 3,4-Dihydroxyphenylacetaldehyde C8H8O3 152.047344 NA MeJP NA NA +MJ002501 (R)-Mandelate C8H8O3 152.047344 NA MeJP NA NA +MJ002502 (S)-Mandelate C8H8O3 152.047344 NA MeJP NA NA +MJ002503 2-Hydroxyphenylacetate C8H8O3 152.047344 NA MeJP NA NA +MJ002504 3-Hydroxyphenylacetate C8H8O3 152.047344 NA MeJP NA NA +MJ002505 4-Hydroxy-3-methoxy-benzaldehyde C8H8O3 152.047344 NA MeJP NA NA +MJ002506 4-Hydroxyphenylacetate C8H8O3 152.047344 NA MeJP NA NA +MJ002507 4-Methoxybenzoate C8H8O3 152.047344 NA MeJP NA NA +MJ002508 1,3-Benzenediol; Mono-Ac C8H8O3 152.047344 NA MeJP NA NA +MJ002509 1,4-Benzenediol; Mono-Ac C8H8O3 152.047344 NA MeJP NA NA +MJ002510 1-(2-Furanyl)-1,2-butanedione C8H8O3 152.047344 NA MeJP NA NA +MJ002511 1-(5-Methyl-2-furanyl)-1,2-propanedione C8H8O3 152.047344 NA MeJP NA NA +MJ002512 2',4'-Dihydroxyacetophenone C8H8O3 152.047344 NA MeJP NA NA +MJ002513 2',5'-Dihydroxyacetophenone C8H8O3 152.047344 NA MeJP NA NA +MJ002514 2',6'-Dihydroxyacetophenone C8H8O3 152.047344 NA MeJP NA NA +MJ002515 2,3-Dihydroxybenzaldehyde; 3-Me ether C8H8O3 152.047344 NA MeJP NA NA +MJ002516 2,4-Dihydroxybenzaldehyde; 4-Me ether C8H8O3 152.047344 NA MeJP NA NA +MJ002517 2,5-Dihydroxybenzaldehyde; 2-Me ether C8H8O3 152.047344 NA MeJP NA NA +MJ002518 2,6-Dihydroxy-4-methylbenzaldehyde C8H8O3 152.047344 NA MeJP NA NA +MJ002519 2-Hydroxy-3-methoxy-2,4,6-cycloheptatrien-1-one C8H8O3 152.047344 NA MeJP NA NA +MJ002520 2-Hydroxy-3-methyl-1,4-benzoquinone; Me ether C8H8O3 152.047344 NA MeJP NA NA +MJ002521 2-Hydroxy-3-methylbenzoic acid C8H8O3 152.047344 NA MeJP NA NA +MJ002522 2-Hydroxy-5-methyl-1,4-benzoquinone; Me ether C8H8O3 152.047344 NA MeJP NA NA +MJ002523 2-Hydroxy-6-methyl-1,4-benzoquinone; Me ether C8H8O3 152.047344 NA MeJP NA NA +MJ002524 2-Hydroxy-6-methylbenzoic acid C8H8O3 152.047344 NA MeJP NA NA +MJ002525 2-Hydroxyphenylacetic acid C8H8O3 152.047344 NA MeJP NA NA +MJ002526 2-Methoxybenzoic acid C8H8O3 152.047344 NA MeJP NA NA +MJ002527 2-Oxepincarboxylic acid; Me ester C8H8O3 152.047344 NA MeJP NA NA +MJ002528 3',4'-Dihydroxyacetophenone C8H8O3 152.047344 NA MeJP NA NA +MJ002529 3,4-Dihydroxybenzaldehyde; 3-Me ether C8H8O3 152.047344 NA MeJP NA NA +MJ002530 3,4-Dihydroxyphenylacetaldehyde C8H8O3 152.047344 NA MeJP NA NA +MJ002531 3,5-Dihydroxybenzaldehyde; Mono Me ether C8H8O3 152.047344 NA MeJP NA NA +MJ002532 3-Methoxybenzoic acid C8H8O3 152.047344 NA MeJP NA NA +MJ002533 4-Hydroxybenzoic acid; Me ester C8H8O3 152.047344 NA MeJP NA NA +MJ002534 4-Hydroxyphenylacetic acid C8H8O3 152.047344 NA MeJP NA NA +MJ002535 4-Methoxybenzoic acid C8H8O3 152.047344 NA MeJP NA NA +MJ002536 6-Acetyl-3-methyl-2H-pyran-2-one C8H8O3 152.047344 NA MeJP NA NA +MJ002537 Aquilegiolide C8H8O3 152.047344 NA MeJP NA NA +MJ002538 Ilexlactone C8H8O3 152.047344 NA MeJP NA NA +MJ002539 Mandelic acid C8H8O3 152.047344 NA MeJP NA NA +MJ002540 Methyl 2-hydroxybenzoate C8H8O3 152.047344 NA MeJP NA NA +MJ002541 Phenoxyacetic acid C8H8O3 152.047344 NA MeJP NA NA +MetaCyc01023 vanillin [4-hydroxy-3-methoxybenzaldehyde;] C8H8O3 152.047344 121-33-5 metacyc NA NA +MetaCyc01024 methylsalicylate [] C8H8O3 152.047344 NA metacyc NA NA +MetaCyc01025 6-methylsalicylate [Methylsalicylic acid;6-Methyl 2-hydroxybenzenecarboxylate;] C8H8O3 152.047344 NA metacyc NA NA +MetaCyc01026 2',4'-dihydroxyacetophenone [Resacetophenone;] C8H8O3 152.047344 89-84-9 metacyc NA NA +MetaCyc01027 (S)-mandelate [(S)-2-hydroxy-2-phenylacetic acid;(S)-2-hydroxy-2-phenylacetate;(S)-mandelic acid;] C8H8O3 152.047344 90-64-2 metacyc NA NA +MetaCyc01028 (R)-mandelate [(R)-2-hydroxy-2-phenylacetic acid;(R)-2-hydroxy-2-phenylacetate;(R)-mandelic acid;] C8H8O3 152.047344 NA metacyc NA NA +MetaCyc01029 4-methoxybenzoate [4-Methoxybenzoic acid;4-Anisic acid;] C8H8O3 152.047344 NA metacyc NA NA +MetaCyc01030 4-hydroxyphenylacetate [4-HPA;p-hydroxyphenylacetic acid;benzeneacetic acid, 4-hydroxy-;DL-para-hydroxyphenylacetic acid;4-hydroxyphenylacetic acid;4-hydroxyphenyl acetate;] C8H8O3 152.047344 156-38-7 metacyc NA NA +MetaCyc01031 4-carboxybenzyl alcohol [] C8H8O3 152.047344 NA metacyc NA NA +MetaCyc01032 3,4-dihydroxyphenylacetaldehyde [protocatechuatealdehyde;] C8H8O3 152.047344 NA metacyc NA NA +MetaCyc01033 3-hydroxyphenylacetate [m-hydroxyphenylacetic acid;3-hydroxyphenylacetic acid;m-hydroxyphenylacetate;] C8H8O3 152.047344 102-29-4 metacyc NA NA +HMDB00020 p-Hydroxyphenylacetic acid C8H8O3 152.047348 NA HMDB2010 NA NA +HMDB00440 3-Hydroxyphenylacetic acid C8H8O3 152.047348 NA HMDB2010 NA NA +HMDB00669 Ortho-Hydroxyphenylacetic acid C8H8O3 152.047348 NA HMDB2010 NA NA +HMDB00703 Mandelic acid C8H8O3 152.047348 NA HMDB2010 NA NA +HMDB01101 p-Anisic acid C8H8O3 152.047348 NA HMDB2010 NA NA +HMDB02390 3-Cresotinic acid C8H8O3 152.047348 NA HMDB2010 NA NA +HMDB03791 3,4-Dihydroxyphenylacetaldehyde C8H8O3 152.047348 NA HMDB2010 NA NA +HMDB04815 4-Hydroxy-3-methylbenzoic acid C8H8O3 152.047348 NA HMDB2010 NA NA +HMDB12308 Vanillin C8H8O3 152.047348 NA HMDB2010 NA NA +CJneg0143 4-hydroxyphenylacetic acid [(M-H)]- C8H7O3 152.047925 C18rt(min)=5.81 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0144 3-Hydroxyphenylacetic acid [(M-H)]- C8H7O3 152.047925 C18rt(min)=6.06 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0145 p-Anisic acid [(M-H)]- C8H7O3 152.047925 C18rt(min)=7.24 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0146 2-Hydroxyphenylacetic acid [(M-H)]- C8H7O3 152.047925 C18rt(min)=6.24 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0143 4-hydroxyphenylacetic acid [(M-H)]- C8H7O3 152.047925 C18rt(min)=5.81 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0144 3-Hydroxyphenylacetic acid [(M-H)]- C8H7O3 152.047925 C18rt(min)=6.06 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0145 p-Anisic acid [(M-H)]- C8H7O3 152.047925 C18rt(min)=7.24 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0146 2-Hydroxyphenylacetic acid [(M-H)]- C8H7O3 152.047925 C18rt(min)=6.24 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0147 Pentose [(M-H)]- (18O) C5H9O418O 152.057625 C18rt(min)=0.95 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0147 Pentose [(M-H)]- (18O) C5H9O418O 152.057625 C18rt(min)=0.95 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ002542 N1-Methyl-2-pyridone-5-carboxamide C7H8N2O2 152.058577 NA MeJP NA NA +MJ002543 N1-Methyl-4-pyridone-5-carboxamide C7H8N2O2 152.058577 NA MeJP NA NA +MJ002544 2,4-Diaminobenzoic acid C7H8N2O2 152.058577 NA MeJP NA NA +MJ002545 4-Hydrazinobenzoic acid C7H8N2O2 152.058577 NA MeJP NA NA +HMDB04193 N1-Methyl-2-pyridone-5-carboxamide C7H8N2O2 152.058578 NA HMDB2010 NA NA +HMDB04194 N1-Methyl-4-pyridone-3-carboxamide C7H8N2O2 152.058578 NA HMDB2010 NA NA +HMDB04193 N1-Methyl-2-pyridone-5-carboxamide C7H8N2O2 152.05858 http://www.hmdb.ca/metabolites/HMDB04193 PFEM_hmdb_metabocards_urine NA urine +HMDB04193 N1-Methyl-2-pyridone-5-carboxamide C7H8N2O2 152.05858 http://www.hmdb.ca/metabolites/HMDB04193 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04193 N1-Methyl-2-pyridone-5-carboxamide C7H8N2O2 152.05858 http://www.hmdb.ca/metabolites/HMDB04193 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04193 N1-Methyl-2-pyridone-5-carboxamide C7H8N2O2 152.05858 http://www.hmdb.ca/metabolites/HMDB04193 HMDB NA NA +HMDB04194 N1-Methyl-4-pyridone-3-carboxamide C7H8N2O2 152.05858 http://www.hmdb.ca/metabolites/HMDB04194 HMDB NA NA +HMDB04193 N1-Methyl-2-pyridone-5-carboxamide C7H8N2O2 152.05858 HMDB04193 PFEM_hmdb_metabocards_official NA NA +HMDB04194 N1-Methyl-4-pyridone-3-carboxamide C7H8N2O2 152.05858 HMDB04194 PFEM_hmdb_metabocards_official NA NA +C05842 N1-Methyl-2-pyridone-5-carboxamide C7H8N2O2 152.0586 NA KEGG NA NA +C05843 N1-Methyl-4-pyridone-5-carboxamide C7H8N2O2 152.0586 NA KEGG NA NA +C16398 2-Amino-4-nitrotoluene C7H8N2O2 152.0586 NA KEGG NA NA +CJpos0312 Acetaminophen [(M+H)]+ (13C) C713CH10NO2 152.066175 C18rt(min)=4.86 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0313 Acetaminophen glucuronide [(M+H)-(C6H8O6)]+ (13C) C713CH10NO2 152.066175 C18rt(min)=4.12 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0314 Acetaminophen isomer [(M+H)]+ (13C) C713CH10NO2 152.066175 C18rt(min)=5.7 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0312 Acetaminophen [(M+H)]+ (13C) C713CH10NO2 152.066175 C18rt(min)=4.86 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0313 Acetaminophen glucuronide [(M+H)-(C6H8O6)]+ (13C) C713CH10NO2 152.066175 C18rt(min)=4.12 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0314 Acetaminophen isomer [(M+H)]+ (13C) C713CH10NO2 152.066175 C18rt(min)=5.7 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0315 Arabitol (and isomers) [(M+H)]+ C5H13O5 152.067975 C18rt(min)=4.17 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0315 Arabitol (and isomers) [(M+H)]+ C5H13O5 152.067975 C18rt(min)=4.17 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +HMDB00508 Ribitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB00508 PFEM_hmdb_metabocards_urine NA urine +HMDB00568 D-Arabitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB00568 PFEM_hmdb_metabocards_urine NA urine +HMDB02917 D-Xylitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB02917 PFEM_hmdb_metabocards_urine NA urine +HMDB00508 Ribitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB00508 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00568 D-Arabitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB00568 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01851 L-Arabitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB01851 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02917 D-Xylitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB02917 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00508 Ribitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB00508 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00568 D-Arabitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB00568 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02917 D-Xylitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB02917 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00508 Ribitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB00508 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00568 D-Arabitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB00568 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02917 D-Xylitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB02917 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00508 Ribitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB00508 HMDB NA NA +HMDB00568 D-Arabitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB00568 HMDB NA NA +HMDB01851 L-Arabitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB01851 HMDB NA NA +HMDB02917 D-Xylitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB02917 HMDB NA NA +HMDB00508 Ribitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB00508 PFEM_hmdb_metabocards_blood NA blood +HMDB00568 D-Arabitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB00568 PFEM_hmdb_metabocards_blood NA blood +HMDB01851 L-Arabitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB01851 PFEM_hmdb_metabocards_blood NA blood +HMDB02917 D-Xylitol C5H12O5 152.06847 http://www.hmdb.ca/metabolites/HMDB02917 PFEM_hmdb_metabocards_blood NA blood +HMDB00508 Ribitol C5H12O5 152.06847 HMDB00508 PFEM_hmdb_metabocards_official NA NA +HMDB00568 D-Arabitol C5H12O5 152.06847 HMDB00568 PFEM_hmdb_metabocards_official NA NA +HMDB01851 L-Arabitol C5H12O5 152.06847 HMDB01851 PFEM_hmdb_metabocards_official NA NA +HMDB02917 D-Xylitol C5H12O5 152.06847 HMDB02917 PFEM_hmdb_metabocards_official NA NA +MJ002546 2-(Hydroxymethyl)-1,2,3,4-butanetetrol C5H12O5 152.068473 NA MeJP NA NA +MJ002547 Arabinitol C5H12O5 152.068473 NA MeJP NA NA +MJ002548 Ribitol C5H12O5 152.068473 NA MeJP NA NA +MJ002549 Xylitol C5H12O5 152.068473 NA MeJP NA NA +MJ002550 D-Arabitol C5H12O5 152.068473 NA MeJP NA NA +MJ002551 L-Arabitol C5H12O5 152.068473 NA MeJP NA NA +MJ002552 Ribitol C5H12O5 152.068473 NA MeJP NA NA +MJ002553 Xylitol C5H12O5 152.068473 NA MeJP NA NA +MetaCyc01034 xylitol [] C5H12O5 152.068473 87-99-0 metacyc NA NA +MetaCyc01035 L-arabitol [arabitol;arabinitol;1,2,3,4,5-pentanepentol;L-arabinol;L-arabinitol;L-lyxitol;] C5H12O5 152.068473 7643-75-6 metacyc NA NA +MetaCyc01036 D-arabitol [D-arabinitol;D-arabinol;D-lyxitol;] C5H12O5 152.068473 488-82-4 metacyc NA NA +MetaCyc01037 ribitol [meso-ribitol;adonitol;] C5H12O5 152.068473 488-81-3 metacyc NA NA +HMDB00508 Ribitol C5H12O5 152.068481 NA HMDB2010 NA NA +HMDB00568 D-Arabitol C5H12O5 152.068481 NA HMDB2010 NA NA +HMDB01851 L-Arabitol C5H12O5 152.068481 NA HMDB2010 NA NA +HMDB02917 D-Xylitol C5H12O5 152.068481 NA HMDB2010 NA NA +C00379 Xylitol C5H12O5 152.0685 NA KEGG NA NA +C00474 Ribitol C5H12O5 152.0685 NA KEGG NA NA +C00532 L-Arabitol C5H12O5 152.0685 NA KEGG NA NA +C01569 D-Apiitol C5H12O5 152.0685 NA KEGG NA NA +C01904 D-Arabitol C5H12O5 152.0685 NA KEGG NA NA +CJneg0148 Gluconic acid (and isomers) [(M-H)-(CO2)]- C5H11O5 152.069025 C18rt(min)=0.88 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0148 Gluconic acid (and isomers) [(M-H)-(CO2)]- C5H11O5 152.069025 C18rt(min)=0.88 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C01014 3-Isopropylcatechol C9H12O2 152.0837 NA KEGG NA NA +MJ002554 1-Phenyl-1,2-propanediol C9H12O2 152.083729 NA MeJP NA NA +MJ002555 2,4,5-Trimethyl-1,3-benzenediol C9H12O2 152.083729 NA MeJP NA NA +MJ002556 2-Formyl-3-methyl-2-cyclopentene-1-acetaldehyde C9H12O2 152.083729 NA MeJP NA NA +MJ002557 2-Hydroxy-4,4,6-trimethyl-2,5-cyclohexadien-1-one C9H12O2 152.083729 NA MeJP NA NA +MJ002558 3-(4-Hydroxyphenyl)-1-propanol C9H12O2 152.083729 NA MeJP NA NA +MJ002559 4,5,6-Trimethyl-1,3-benzenediol C9H12O2 152.083729 NA MeJP NA NA +MJ002560 4-Ethyl-1,2-benzenediol; 1-Me ether C9H12O2 152.083729 NA MeJP NA NA +MJ002561 4-Ethyl-1,2-benzenediol; 2-Me ether C9H12O2 152.083729 NA MeJP NA NA +MJ002562 5-(2-Pentenyl)-2(5H)-furanone C9H12O2 152.083729 NA MeJP NA NA +MJ002563 5-Methyl-1,3-benzenediol; Di-Me ether C9H12O2 152.083729 NA MeJP NA NA +MJ002564 2-Isopropyl-3-methoxypyrazine C8H12N2O 152.094963 NA MeJP NA NA +C00808 (+)-Camphor C10H16O 152.1201 NA KEGG NA NA +C00809 (-)-Camphor C10H16O 152.1201 NA KEGG NA NA +C00964 (-)-trans-Carveol C10H16O 152.1201 NA KEGG NA NA +C00965 1,3-beta-D-Glucan C10H16O 152.1201 NA KEGG NA NA +C01123 (-)-trans-Isopiperitenol C10H16O 152.1201 NA KEGG NA NA +C01499 Geranial C10H16O 152.1201 NA KEGG NA NA +C02213 (+)-cis-Sabinol C10H16O 152.1201 NA KEGG NA NA +C02452 Perillyl alcohol C10H16O 152.1201 NA KEGG NA NA +C02759 alpha-Pinene-oxide C10H16O 152.1201 NA KEGG NA NA +C02761 beta-L-Arabinoside C5H9O5R 152.1201 NA KEGG NA NA +C02762 beta-Limit dextrin C5H9O5R 152.1201 NA KEGG NA NA +C04435 (Z)-2-Methyl-5-isopropylhexa-2,5-dienal C10H16O 152.1201 NA KEGG NA NA +C07271 Limonene-1,2-epoxide C10H16O 152.1201 NA KEGG NA NA +C09847 cis-Citral C10H16O 152.1201 NA KEGG NA NA +C09859 Fenchone C10H16O 152.1201 NA KEGG NA NA +C09885 (+)-Piperitone C10H16O 152.1201 NA KEGG NA NA +C09893 Pulegone C10H16O 152.1201 NA KEGG NA NA +C09906 Thujone C10H16O 152.1201 NA KEGG NA NA +C11387 (1S,4R)-(-)-Fenchone C10H16O 152.1201 NA KEGG NA NA +C11395 (4R,6R)-cis-Carveol C10H16O 152.1201 NA KEGG NA NA +C11398 (1R,4R)-Dihydrocarvone C10H16O 152.1201 NA KEGG NA NA +C11401 (1S,4R)-Iso-dihydrocarvone C10H16O 152.1201 NA KEGG NA NA +C11408 (4S,6S)-cis-Carveol C10H16O 152.1201 NA KEGG NA NA +C11409 (+)-trans-Carveol C10H16O 152.1201 NA KEGG NA NA +C11412 (1R,4S)-Iso-dihydrocarvone C10H16O 152.1201 NA KEGG NA NA +C11415 (1S,4S)-Dihydrocarvone C10H16O 152.1201 NA KEGG NA NA +C11938 Myrtenol C10H16O 152.1201 NA KEGG NA NA +C11941 Pinocarveol C10H16O 152.1201 NA KEGG NA NA +C11942 trans-2-Methyl-5-isopropylhexa-2,5-dienal C10H16O 152.1201 NA KEGG NA NA +C11951 (+)-cis-Isopulegone C10H16O 152.1201 NA KEGG NA NA +C17623 (-)-Pulegone C10H16O 152.1201 NA KEGG NA NA +C18018 p-Menth-8-en-2-one C10H16O 152.1201 NA KEGG NA NA +MJ002565 1,2-Epoxy-2,5-dimethyl-3-vinyl-4-hexene C10H16O 152.120115 NA MeJP NA NA +MJ002566 1,2-Epoxy-p-menth-8-ene C10H16O 152.120115 NA MeJP NA NA +MJ002567 1,8-Epoxy-p-menthane; 2,3-Didehydro C10H16O 152.120115 NA MeJP NA NA +MJ002568 2(10)-Pinen-3-ol C10H16O 152.120115 NA MeJP NA NA +MJ002569 2,2,5-Trimethyl-4-cyclohepten-1-one C10H16O 152.120115 NA MeJP NA NA +MJ002570 2,3-Epoxy-2-methyl-6-methylene-7-octene C10H16O 152.120115 NA MeJP NA NA +MJ002571 2,3-Epoxypinane C10H16O 152.120115 NA MeJP NA NA +MJ002572 2,4,4-Trimethyl-1-cyclohexene-1-carboxaldehyde C10H16O 152.120115 NA MeJP NA NA +MJ002573 2,4-Decadienal C10H16O 152.120115 NA MeJP NA NA +MJ002574 2,5,6,6-Tetramethyl-2-cyclohexen-1-one C10H16O 152.120115 NA MeJP NA NA +MJ002575 2,5-Dihydro-3-methyl-2-(3-methyl-2-butenyl)furan C10H16O 152.120115 NA MeJP NA NA +MJ002576 2,5-Dihydro-3-methyl-2-(3-methyl-3-butenyl)furan C10H16O 152.120115 NA MeJP NA NA +MJ002577 2,5-Dihydro-4-methyl-2-(3-methyl-2-butenyl)furan C10H16O 152.120115 NA MeJP NA NA +MJ002578 2,5-Dimethyl-4-vinyl-1,5-hexadien-3-ol C10H16O 152.120115 NA MeJP NA NA +MJ002579 2,6-Dimethyl-1,7-octadien-3-one C10H16O 152.120115 NA MeJP NA NA +MJ002580 2,6-Dimethyl-5,7-octadien-4-one C10H16O 152.120115 NA MeJP NA NA +MJ002581 2-Methyl-6-methylene-1,7-octadien-3-ol C10H16O 152.120115 NA MeJP NA NA +MJ002582 2-Methyl-6-methylene-2,7-octadien-1-ol C10H16O 152.120115 NA MeJP NA NA +MJ002583 2-Methyl-6-methylene-2,7-octadien-4-ol C10H16O 152.120115 NA MeJP NA NA +MJ002584 2-Methyl-6-methylene-3,7-octadien-2-ol C10H16O 152.120115 NA MeJP NA NA +MJ002585 2-Methyl-6-methylene-7-octen-3-one C10H16O 152.120115 NA MeJP NA NA +MJ002586 2-Ochtoden-1-al C10H16O 152.120115 NA MeJP NA NA +MJ002587 2-Pinen-10-ol C10H16O 152.120115 NA MeJP NA NA +MJ002588 2-Pinen-4-ol C10H16O 152.120115 NA MeJP NA NA +MJ002589 2-Pinen-8-ol C10H16O 152.120115 NA MeJP NA NA +MJ002590 2-Thujen-4-ol C10H16O 152.120115 NA MeJP NA NA +MJ002591 3,3,4-Trimethyl-1-cyclohexene-1-carboxaldehyde C10H16O 152.120115 NA MeJP NA NA +MJ002592 3,3,6-Trimethyl-1,5-heptadien-4-one C10H16O 152.120115 NA MeJP NA NA +MJ002593 3,4-Epoxy-p-menth-1(7)-ene C10H16O 152.120115 NA MeJP NA NA +MJ002594 3,6-Dihydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran C10H16O 152.120115 NA MeJP NA NA +MJ002595 3,7-Dimethyl-1,3,6-octatriene, 6R,7-Epoxide C10H16O 152.120115 NA MeJP NA NA +MJ002596 3,7-Dimethyl-1,5,7-octatrien-3-ol C10H16O 152.120115 NA MeJP NA NA +MJ002597 3,7-Dimethyl-2,6-octadienal C10H16O 152.120115 NA MeJP NA NA +MJ002598 3,9-Epoxy-p-menth-1-ene C10H16O 152.120115 NA MeJP NA NA +MJ002599 3-Pinanone C10H16O 152.120115 NA MeJP NA NA +MJ002600 3-Thujanone C10H16O 152.120115 NA MeJP NA NA +MJ002601 4(10)-Thujen-3-ol C10H16O 152.120115 NA MeJP NA NA +MJ002602 4,8-Epoxy-p-menth-1-ene C10H16O 152.120115 NA MeJP NA NA +MJ002603 4-Acetyl-1,4-dimethyl-1-cyclohexene C10H16O 152.120115 NA MeJP NA NA +MJ002604 4-Isopropyl-2,3-dimethyl-2-cyclopenten-1-one C10H16O 152.120115 NA MeJP NA NA +MJ002605 5,5-Dimethyl-6-methylenebicyclo[2.2.1]heptan-2-ol C10H16O 152.120115 NA MeJP NA NA +MJ002606 5-Methyl-2-methylene-3-vinyl-4-hexen-1-ol C10H16O 152.120115 NA MeJP NA NA +MJ002607 6,8-Epoxy-p-menth-2-ene C10H16O 152.120115 NA MeJP NA NA +MJ002608 8,8-Dimethyl-2-methylene-6-oxabicyclo[3.2.1]octane C10H16O 152.120115 NA MeJP NA NA +MJ002609 9,10-Cyclo-p-menth-1-en-4-ol C10H16O 152.120115 NA MeJP NA NA +MJ002610 Artemisiole C10H16O 152.120115 NA MeJP NA NA +MJ002611 Campholenic alcohol; Aldehyde C10H16O 152.120115 NA MeJP NA NA +MJ002612 Camphor C10H16O 152.120115 NA MeJP NA NA +MJ002613 Fenchone C10H16O 152.120115 NA MeJP NA NA +MJ002614 Hexahydro-1,1-dimethyl-4-methylene-1H-cyclopenta[c]furan C10H16O 152.120115 NA MeJP NA NA +MJ002615 Homocamfin C10H16O 152.120115 NA MeJP NA NA +MJ002616 Junionone C10H16O 152.120115 NA MeJP NA NA +MJ002617 Lyratol C10H16O 152.120115 NA MeJP NA NA +MJ002618 Matatabiether C10H16O 152.120115 NA MeJP NA NA +MJ002619 Pinol C10H16O 152.120115 NA MeJP NA NA +MJ002620 Teresantalol C10H16O 152.120115 NA MeJP NA NA +MJ002621 Tetrahydro-4-methyl-2-(3-methyl-1,3-butadienyl)furan C10H16O 152.120115 NA MeJP NA NA +MJ002622 m-Mentha-1(6),8-dien-3-ol C10H16O 152.120115 NA MeJP NA NA +MJ002623 p-Menth-1(7)-en-2-one C10H16O 152.120115 NA MeJP NA NA +MJ002624 p-Menth-1-en-3-one C10H16O 152.120115 NA MeJP NA NA +MJ002625 p-Menth-1-en-5-one C10H16O 152.120115 NA MeJP NA NA +MJ002626 p-Menth-1-en-6-one C10H16O 152.120115 NA MeJP NA NA +MJ002627 p-Menth-1-en-7-al C10H16O 152.120115 NA MeJP NA NA +MJ002628 p-Menth-3-en-9-al C10H16O 152.120115 NA MeJP NA NA +MJ002629 p-Menth-4(8)-en-3-one C10H16O 152.120115 NA MeJP NA NA +MJ002630 p-Menth-8-en-2-one C10H16O 152.120115 NA MeJP NA NA +MJ002631 p-Menth-8-en-3-one C10H16O 152.120115 NA MeJP NA NA +MJ002632 p-Mentha-1(6),8-dien-3-ol C10H16O 152.120115 NA MeJP NA NA +MJ002633 p-Mentha-1(7),2-dien-4-ol C10H16O 152.120115 NA MeJP NA NA +MJ002634 p-Mentha-1(7),5-dien-2-ol C10H16O 152.120115 NA MeJP NA NA +MJ002635 p-Mentha-1(7),8-dien-2-ol C10H16O 152.120115 NA MeJP NA NA +MJ002636 p-Mentha-1(7),8-dien-3-ol C10H16O 152.120115 NA MeJP NA NA +MJ002637 p-Mentha-1,4(8)-dien-3-one; 3-Alcohol C10H16O 152.120115 NA MeJP NA NA +MJ002638 p-Mentha-1,8-dien-10-ol C10H16O 152.120115 NA MeJP NA NA +MJ002639 p-Mentha-1,8-dien-3-ol C10H16O 152.120115 NA MeJP NA NA +MJ002640 p-Mentha-1,8-dien-4-ol C10H16O 152.120115 NA MeJP NA NA +MJ002641 p-Mentha-1,8-dien-6-ol C10H16O 152.120115 NA MeJP NA NA +MJ002642 p-Mentha-1,8-dien-7-ol C10H16O 152.120115 NA MeJP NA NA +MJ002643 p-Mentha-2,8-dien-1-ol C10H16O 152.120115 NA MeJP NA NA +MJ002644 p-Mentha-3,8-dien-1-ol C10H16O 152.120115 NA MeJP NA NA +MetaCyc01038 geranial [] C10H16O1 152.120115 5392-40-5 metacyc NA NA +MetaCyc01039 (Z)-2-methyl-5-isopropylhexa-2,5-dienal [cis-2-methyl-5-isopropylhexa-2,5-dienal;] C10H16O1 152.120115 NA metacyc NA NA +MetaCyc01040 D-camphor [2-camphanone;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-camphonone;camphor oil;bornan-2-one;1,7,7-trimethylnorcamphor;2-bornanone;(+)-camphor;] C10H16O1 152.120115 464-49-3 metacyc NA NA +MetaCyc01041 perillyl alcohol [(-)-perillyl alcohol;] C10H16O1 152.120115 536-59-4 metacyc NA NA +MetaCyc01042 α-pinene-oxide [] C10H16O1 152.120115 1686-14-2 metacyc NA NA +MetaCyc01043 (+)-cis-sabinol [] C10H16O1 152.120115 NA metacyc NA NA +MetaCyc01044 (-)-camphor [] C10H16O1 152.120115 464-48-2 metacyc NA NA +MetaCyc01045 (-)-trans-Isopiperitenol [] C10H16O1 152.120115 NA metacyc NA NA +MetaCyc01046 (-)-trans-carveol [] C10H16O1 152.120115 NA metacyc NA NA +MetaCyc01047 (+)-pulegone [] C10H16O1 152.120115 NA metacyc NA NA +MetaCyc01048 (+)-cis-isopulegone [] C10H16O1 152.120115 NA metacyc NA NA +HMDB03450 (-)-trans-Carveol C10H16O 152.120117 NA HMDB2010 NA NA +HMDB03634 Perillyl alcohol C10H16O 152.120117 NA HMDB2010 NA NA +HMDB03667 Alpha-Pinene-oxide C10H16O 152.120117 NA HMDB2010 NA NA +HMDB03634 Perillyl alcohol C10H16O 152.12012 http://www.hmdb.ca/metabolites/HMDB03634 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03450 (-)-trans-Carveol C10H16O 152.12012 http://www.hmdb.ca/metabolites/HMDB03450 HMDB NA NA +HMDB03634 Perillyl alcohol C10H16O 152.12012 http://www.hmdb.ca/metabolites/HMDB03634 HMDB NA NA +HMDB03667 alpha-Pinene-oxide C10H16O 152.12012 http://www.hmdb.ca/metabolites/HMDB03667 HMDB NA NA +HMDB03634 Perillyl alcohol C10H16O 152.12012 http://www.hmdb.ca/metabolites/HMDB03634 PFEM_hmdb_metabocards_blood NA blood +HMDB03450 (-)-trans-Carveol C10H16O 152.12012 HMDB03450 PFEM_hmdb_metabocards_official NA NA +HMDB03634 Perillyl alcohol C10H16O 152.12012 HMDB03634 PFEM_hmdb_metabocards_official NA NA +HMDB03667 alpha-Pinene-oxide C10H16O 152.12012 HMDB03667 PFEM_hmdb_metabocards_official NA NA +MJ002645 1,5-Undecadiene C11H20 152.1565 NA MeJP NA NA +3098 fragment of bovine beta casein (91-93) GVM 152.5647 MH2+ Inhouse_peptide NA peptide +MJ002646 Copper(II) formate C2H2CuO4 152.924909 NA MeJP NA NA +C01962 Thiocysteine C3H7NO2S2 152.9918 NA KEGG NA NA +MJ002647 Thiocysteine C3H7NO2S2 152.991819 NA MeJP NA NA +HMDB03585 Thiocysteine C3H7NO2S2 152.99182 http://www.hmdb.ca/metabolites/HMDB03585 HMDB NA NA +MetaCyc01049 thiocysteine [] C3H7N1O2S2 152.99182 5652-32-4 metacyc NA NA +HMDB03585 Thiocysteine C3H7NO2S2 152.99182 HMDB03585 PFEM_hmdb_metabocards_official NA NA +HMDB03585 Thiocysteine C3H7NO2S2 152.991821 NA HMDB2010 NA NA +MJ002648 3-Sulfino-L-alanine C3H7NO4S 153.009578 NA MeJP NA NA +MJ002649 Cysteinesulfinic acid C3H7NO4S 153.009578 NA MeJP NA NA +MetaCyc01050 L-cysteine sulfinate [cysteine sulphinate;cysteine sulfinate;] C3H7N1O4S1 153.009578 NA metacyc NA NA +MetaCyc01051 3-sulfinoalanine [3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-sulphino-L-alanine;] C3H7N1O4S1 153.009578 1115-65-7 metacyc NA NA +C00606 3-Sulfino-L-alanine C3H7NO4S 153.0096 NA KEGG NA NA +C00607 Chondroitin sulfate C3H7NO4S 153.0096 NA KEGG NA NA +C00608 Deoxyribonucleotide C5H10O6PR 153.0096 NA KEGG NA NA +C00609 Long-chain aldehyde C3H5OR 153.0096 NA KEGG NA NA +MJ002650 2-Amino-3-(hydroxyphosphinyl)propanoic acid C3H8NO4P 153.019094 NA MeJP NA NA +MJ002651 2-Amino-4-chloro-3-hydroxybutanoic acid C4H8ClNO3 153.01927 NA MeJP NA NA +C16283 Thiobenzamide S-oxide C7H7NOS 153.0248 NA KEGG NA NA +CJneg0149 Guanidoacetic acid (and isomer) [(M+Cl)]- C3H7ClN3O2 153.031025 C18rt(min)=0.9 Neg identified a,b,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0149 Guanidoacetic acid (and isomer) [(M+Cl)]- C3H7ClN3O2 153.031025 C18rt(min)=0.9 Neg identified a,b,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0316 Hydroxyanthranilic acid isomer [(M+H)]+ C7H8NO3 153.042075 C18rt(min)=4.55 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0316 Hydroxyanthranilic acid isomer [(M+H)]+ C7H8NO3 153.042075 C18rt(min)=4.55 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +HMDB01476 3-Hydroxyanthranilic acid C7H7NO3 153.042587 NA HMDB2010 NA NA +HMDB01972 3-Aminosalicylic acid C7H7NO3 153.042587 NA HMDB2010 NA NA +HMDB01476 3-Hydroxyanthranilic acid C7H7NO3 153.04259 http://www.hmdb.ca/metabolites/HMDB01476 PFEM_hmdb_metabocards_urine NA urine +HMDB01476 3-Hydroxyanthranilic acid C7H7NO3 153.04259 http://www.hmdb.ca/metabolites/HMDB01476 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01476 3-Hydroxyanthranilic acid C7H7NO3 153.04259 http://www.hmdb.ca/metabolites/HMDB01476 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01476 3-Hydroxyanthranilic acid C7H7NO3 153.04259 http://www.hmdb.ca/metabolites/HMDB01476 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01476 3-Hydroxyanthranilic acid C7H7NO3 153.04259 http://www.hmdb.ca/metabolites/HMDB01476 HMDB NA NA +HMDB01972 3-Aminosalicylic acid C7H7NO3 153.04259 http://www.hmdb.ca/metabolites/HMDB01972 HMDB NA NA +HMDB01476 3-Hydroxyanthranilic acid C7H7NO3 153.04259 NA ;SYN:L-N-amidinoaspartic acid; N-(aminoiminomethyl)-L-aspartic acid; N-Amidino-L-aspartate; N-amidino-L-aspartic acid; N-carbamimidoyl-L-aspartic acid; GuanidinosuccinateH2Blood; Cellular Cytoplasm; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB01476 3-Hydroxyanthranilic acid C7H7NO3 153.04259 http://www.hmdb.ca/metabolites/HMDB01476 PFEM_hmdb_metabocards_blood NA blood +HMDB01476 3-Hydroxyanthranilic acid C7H7NO3 153.04259 HMDB01476 PFEM_hmdb_metabocards_official NA NA +HMDB01972 3-Aminosalicylic acid C7H7NO3 153.04259 HMDB01972 PFEM_hmdb_metabocards_official NA NA +MJ002652 2-Amino-3-hydroxybenzoic acid C7H7NO3 153.042593 NA MeJP NA NA +MJ002653 2-Amino-5-hydroxybenzoic acid C7H7NO3 153.042593 NA MeJP NA NA +MJ002654 3-Amino-5-hydroxybenzoic acid C7H7NO3 153.042593 NA MeJP NA NA +MJ002655 4-Amino-2-hydroxybenzoic acid C7H7NO3 153.042593 NA MeJP NA NA +MJ002656 5-Amino-2-hydroxybenzoic acid C7H7NO3 153.042593 NA MeJP NA NA +MJ002657 7-Oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid C7H7NO3 153.042593 NA MeJP NA NA +MJ002658 Maleimycin C7H7NO3 153.042593 NA MeJP NA NA +MJ002659 3-Hydroxy-2-methylpyridine-5-carboxylate C7H7NO3 153.042593 NA MeJP NA NA +MJ002660 3-Hydroxyanthranilate C7H7NO3 153.042593 NA MeJP NA NA +MetaCyc01052 4-hydroxylaminobenzoate [] C7H7N1O3 153.042593 NA metacyc NA NA +MetaCyc01053 4-nitrobenzyl alcohol [4NBA;] C7H7N1O3 153.042593 619-73-8 metacyc NA NA +MetaCyc01054 salicylhydroxamic acid [salicylhydroxamic acid;2-hydroxybenzohydroxamic acid;N,2-dihydroxybenzenecarboximidic acid;N,2-dihydroxybenzamide;salicylohydroxamic acid;SHAM;] C7H7N1O3 153.042593 NA metacyc NA NA +MetaCyc01055 3-hydroxy-2-methylpyridine-5-carboxylate [] C7H7N1O3 153.042593 NA metacyc NA NA +MetaCyc01056 3-hydroxy-anthranilate [3-hydroxyanthranilate;] C7H7N1O3 153.042593 548-93-6 metacyc NA NA +C00632 3-Hydroxyanthranilate C7H7NO3 153.0426 NA KEGG NA NA +C01270 3-Hydroxy-2-methylpyridine-5-carboxylate C7H7NO3 153.0426 NA KEGG NA NA +C01271 (3R)-3-Hydroxyacyl-[acyl-carrier protein] C3H4O2SR2 153.0426 NA KEGG NA NA +C02518 4-Aminosalicylate C7H7NO3 153.0426 NA KEGG NA NA +C06669 1-Carbapen-2-em-3-carboxylic acid C7H7NO3 153.0426 NA KEGG NA NA +C07555 4-Nitroanisole C7H7NO3 153.0426 NA KEGG NA NA +C11343 Salicylhydroxamic acid C7H7NO3 153.0426 NA KEGG NA NA +C12107 AHBA C7H7NO3 153.0426 NA KEGG NA NA +C12115 3-Amino-4-hydroxybenzoic acid C7H7NO3 153.0426 NA KEGG NA NA +C16235 o-Hydroxylaminobenzoate C7H7NO3 153.0426 NA KEGG NA NA +C16236 Protein N6-(octanoyl)lysine C8H16NOR 153.0426 NA KEGG NA NA +C16237 Protein N6-(lipoyl)lysine C8H14NOS2R 153.0426 NA KEGG NA NA +CJneg0150 Hydroxyanthranilic acid isomer [(M-H)]- C7H6NO3 153.043125 C18rt(min)=4.55 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0151 Hydroxyanthranilic acid isomer [(M-H)]- C7H6NO3 153.043125 C18rt(min)=5.25 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0150 Hydroxyanthranilic acid isomer [(M-H)]- C7H6NO3 153.043125 C18rt(min)=4.55 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0151 Hydroxyanthranilic acid isomer [(M-H)]- C7H6NO3 153.043125 C18rt(min)=5.25 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ002661 2-Aminoethanesulfonic acid; N,N-Di-Me C4H11NO3S 153.045963 NA MeJP NA NA +CJneg0152 p-Anisic acid [(M-H)]- (13C) C713CH7O3 153.051225 C18rt(min)=7.24 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0153 3-Hydroxyphenylacetic acid [(M-H)]- (13C) C713CH7O3 153.051225 C18rt(min)=6.06 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0154 2-Hydroxyphenylacetic acid [(M-H)]- (13C) C713CH7O3 153.051225 C18rt(min)=6.24 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0152 p-Anisic acid [(M-H)]- (13C) C713CH7O3 153.051225 C18rt(min)=7.24 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0153 3-Hydroxyphenylacetic acid [(M-H)]- (13C) C713CH7O3 153.051225 C18rt(min)=6.06 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0154 2-Hydroxyphenylacetic acid [(M-H)]- (13C) C713CH7O3 153.051225 C18rt(min)=6.24 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +JH024 Creatine [M+Na]+ NA 153.0521 1.23 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH024 Creatine [M+Na]+ NA 153.0521 1.23 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH024 Creatine [M+Na]+ NA 153.0521 1.23 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH024 Creatine [M+Na]+ NA 153.0521 1.23 Inhousejuil11 NA NA +CJpos0317 N4-acetylcytidine [(M+H)-(C5H8O4)]+ C6H8N3O2 153.053275 C18rt(min)=4.51 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0317 N4-acetylcytidine [(M+H)-(C5H8O4)]+ C6H8N3O2 153.053275 C18rt(min)=4.51 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJneg0156 Methylhistidine [(M-H)-(CH4)]- C6H6N3O2 153.054425 C18rt(min)=0.78 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0156 Methylhistidine [(M-H)-(CH4)]- C6H6N3O2 153.054425 C18rt(min)=0.78 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ002662 (2-Aminoethyl)phosphonic acid; N,N-Di-Me C4H12NO3P 153.055479 NA MeJP NA NA +MJ002663 N-Dimethyl-2-aminoethylphosphonate C4H12NO3P 153.055479 NA MeJP NA NA +C05680 N-Dimethyl-2-aminoethylphosphonate C4H12NO3P 153.0555 NA KEGG NA NA +C05681 Ceramide 2-aminoethylphosphonate C21H42N2O5PR 153.0555 NA KEGG NA NA +CJneg0155 Betaine [(M+Cl)]- C5H11ClNO2 153.056225 C18rt(min)=0.86 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0155 Betaine [(M+Cl)]- C5H11ClNO2 153.056225 C18rt(min)=0.86 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ002664 6-Hydrazino-3-pyridazinecarboxamide C5H7N5O 153.065059 NA MeJP NA NA +HMDB04816 FAPy-adenine C5H7N5O 153.065063 NA HMDB2010 NA NA +CJpos0318 Tyrosine isomer [(M+H)-(CO)]+ C8H12NO2 153.078475 C18rt(min)=6.02 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0318 Tyrosine isomer [(M+H)-(CO)]+ C8H12NO2 153.078475 C18rt(min)=6.02 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ002665 4-(2-Aminoethyl)-1,2-benzenediol C8H11NO2 153.078978 NA MeJP NA NA +MJ002666 3,4-Dihydro-4-propylidene-2H-pyrrole-2-carboxylic acid C8H11NO2 153.078978 NA MeJP NA NA +MJ002667 4-Amino-1,3-benzenediol; Di-Me ether C8H11NO2 153.078978 NA MeJP NA NA +MJ002668 5-Hydroxy-4,6-dimethyl-3-pyridinemethanol C8H11NO2 153.078978 NA MeJP NA NA +MJ002669 Dopamine C8H11NO2 153.078978 NA MeJP NA NA +MJ002670 Octopamine C8H11NO2 153.078978 NA MeJP NA NA +LABER076 Dopamine NA 153.078979 NA PFEM_hmdb_metabocards_urine NA urine +LABER089 Dopamine NA 153.078979 RT 2.58 PFEM_hmdb_metabocards_urine NA urine +LABER076 Dopamine NA 153.078979 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER089 Dopamine NA 153.078979 RT 2.58 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER076 Dopamine NA 153.078979 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER089 Dopamine NA 153.078979 RT 2.58 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER076 Dopamine NA 153.078979 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER089 Dopamine NA 153.078979 RT 2.58 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER076 Dopamine NA 153.078979 NA HMDB NA NA +LABER089 Dopamine NA 153.078979 RT 2.58 HMDB NA NA +HMDB00073 Dopamine C8H11NO2 153.078979 NA HMDB2010 NA NA +HMDB04825 p-Octopamine C8H11NO2 153.078979 NA HMDB2010 NA NA +HMDB12309 Vanillylamine C8H11NO2 153.078979 NA HMDB2010 NA NA +LABER076 Dopamine NA 153.078979 NA Inhouse_PFEM NA NA +LABER089 Dopamine NA 153.078979 RT 2.58 Inhouse_PFEM NA NA +LABER076 Dopamine NA 153.078979 NA Inhousejuil11 NA NA +LABER089 Dopamine NA 153.078979 RT 2.58 Inhousejuil11 NA NA +MetaCyc01057 dopamine [deoxyepinephrine;hydroxytyramine;3,4-dihydroxyphenethylamine;intropin;2-(3,4-dihydroxyphenyl)ethylamine;4-(2-aminoethyl)benzene-1,2-diol;] C8H11N1O2 153.078979 51-61-6 metacyc NA NA +MetaCyc01058 1-(4-hydroxyphenyl)-2-aminoethanol [Octopamine;p-Hydroxyphenylethanolamine;] C8H11N1O2 153.078979 104-14-3 metacyc NA NA +LABER076 Dopamine NA 153.078979 NA PFEM_hmdb_metabocards_blood NA blood +LABER089 Dopamine NA 153.078979 RT 2.58 PFEM_hmdb_metabocards_blood NA blood +LABER076 Dopamine NA 153.078979 NA PFEM_hmdb_metabocards_official NA NA +LABER089 Dopamine NA 153.078979 RT 2.58 PFEM_hmdb_metabocards_official NA NA +HMDB00073 Dopamine C8H11NO2 153.07898 http://www.hmdb.ca/metabolites/HMDB00073 PFEM_hmdb_metabocards_urine NA urine +HMDB04825 p-Octopamine C8H11NO2 153.07898 http://www.hmdb.ca/metabolites/HMDB04825 PFEM_hmdb_metabocards_urine NA urine +HMDB00073 Dopamine C8H11NO2 153.07898 http://www.hmdb.ca/metabolites/HMDB00073 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04825 p-Octopamine C8H11NO2 153.07898 http://www.hmdb.ca/metabolites/HMDB04825 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00073 Dopamine C8H11NO2 153.07898 http://www.hmdb.ca/metabolites/HMDB00073 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04825 p-Octopamine C8H11NO2 153.07898 http://www.hmdb.ca/metabolites/HMDB04825 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00073 Dopamine C8H11NO2 153.07898 http://www.hmdb.ca/metabolites/HMDB00073 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04825 p-Octopamine C8H11NO2 153.07898 http://www.hmdb.ca/metabolites/HMDB04825 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00073 Dopamine C8H11NO2 153.07898 http://www.hmdb.ca/metabolites/HMDB00073 HMDB NA NA +HMDB04825 p-Octopamine C8H11NO2 153.07898 http://www.hmdb.ca/metabolites/HMDB04825 HMDB NA NA +HMDB00073 Dopamine C8H11NO2 153.07898 http://www.hmdb.ca/metabolites/HMDB00073 PFEM_hmdb_metabocards_blood NA blood +HMDB04825 p-Octopamine C8H11NO2 153.07898 http://www.hmdb.ca/metabolites/HMDB04825 PFEM_hmdb_metabocards_blood NA blood +HMDB00073 Dopamine C8H11NO2 153.07898 HMDB00073 PFEM_hmdb_metabocards_official NA NA +HMDB04825 p-Octopamine C8H11NO2 153.07898 HMDB04825 PFEM_hmdb_metabocards_official NA NA +C03758 Dopamine C8H11NO2 153.079 NA KEGG NA NA +C04227 1-(4-Hydroxyphenyl)-2-aminoethanol C8H11NO2 153.079 NA KEGG NA NA +C16666 Vanillylamine C8H11NO2 153.079 NA KEGG NA NA +C05135 4-(beta-Acetylaminoethyl)imidazole C7H11N3O 153.0902 NA KEGG NA NA +C16399 2,4-Diamino-6-hydroxylaminotoluene C7H11N3O 153.0902 NA KEGG NA NA +HMDB13253 N-Acetylhistamine C7H11N3O 153.09021 NA HMDB2010 NA NA +MJ002671 Histamine C7H11N3O 153.090211 NA MeJP NA NA +MJ002672 4-(beta-Acetylaminoethyl)imidazole C7H11N3O 153.090212 NA MeJP NA NA +C07454 N-Guanylhistamine C6H11N5 153.1014 NA KEGG NA NA +MJ002673 Histaguanidine C6H11N5 153.101445 NA MeJP NA NA +MJ002674 Supinidine, Me ether C9H15NO 153.115364 NA MeJP NA NA +MJ002675 5-Methyl-2-furanmethanamine; N,N,N-Tri-Me C9H16NO(+) 153.115364 NA MeJP NA NA +C10865 Pseudopelletierine C9H15NO 153.1154 NA KEGG NA NA +MJ002676 1,2,3,6-Tetrahydro-2,2,6,6-tetramethylpyridine; N-Me C10H19N 153.151749 NA MeJP NA NA +MJ002677 2,3,4,5-Tetrahydro-6-pentylpyridine C10H19N 153.151749 NA MeJP NA NA +MJ002678 Azacyclo-6-undecene C10H19N 153.151749 NA MeJP NA NA +MJ002679 Butynamine C10H19N 153.151749 NA MeJP NA NA +MJ002680 N-Normethylskytanthine C10H19N 153.151749 NA MeJP NA NA +MJ002681 Octahydro-5,7-dimethylindolizine C10H19N 153.151749 NA MeJP NA NA +MJ002682 Saururine C10H19N 153.151749 NA MeJP NA NA +MJ002683 Skytanthus acutus Alkaloid E C10H19N 153.151749 NA MeJP NA NA +HMDB00021 Iodotyrosine C9H10INO3 153.4852755 MH2+ Inhouse_peptide NA peptide +HMDB00125 Glutathione C10H17N3O6S 153.5419005 MH2+ Inhouse_peptide NA peptide +MJ002684 Ethylarsonic acid C2H7AsO3 153.961115 NA MeJP NA NA +MJ002685 S-1-Propenyl thiosulfate C3H6O3S2 153.975835 NA MeJP NA NA +EUR357 Flavine adenine dinucleotide F7 F7 153.980875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR357 Flavine adenine dinucleotide F7 NA 153.980875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR357 Flavine adenine dinucleotide F7 F7 153.980875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR357 Flavine adenine dinucleotide F7 NA 153.980875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR357 Flavine adenine dinucleotide F7 F7 153.980875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR357 Flavine adenine dinucleotide F7 NA 153.980875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR357 Flavine adenine dinucleotide F7 F7 153.980875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR357 Flavine adénine dinucléotide F7 F7 153.980875 standards wishlist analysés sur QTOF HMDB NA NA +EUR357 Flavine adenine dinucleotide F7 F7 153.980875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR357 Flavine adenine dinucleotide F7 NA 153.980875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR357 Flavine adenine dinucleotide F7 F7 153.980875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR357 Flavine adenine dinucleotide F7 F7 153.980875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR448 Flavine Mononucleotide F6 F6 153.982575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR448 Flavine Mononucleotide F6 NA 153.982575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR448 Flavine Mononucleotide F6 F6 153.982575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR448 Flavine Mononucleotide F6 NA 153.982575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR448 Flavine Mononucleotide F6 F6 153.982575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR448 Flavine Mononucleotide F6 NA 153.982575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR448 Flavine Mononucleotide F6 F6 153.982575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR448 Flavine Mononucléotide F6 F6 153.982575 standards wishlist analysés sur QTOF HMDB NA NA +EUR448 Flavine Mononucleotide F6 F6 153.982575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR448 Flavine Mononucleotide F6 NA 153.982575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR448 Flavine Mononucleotide F6 F6 153.982575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR448 Flavine Mononucleotide F6 F6 153.982575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ002686 3-Chlorotetrahydrothiophene, S,S-Dioxide C4H7ClO2S 153.985527 NA MeJP NA NA +MJ002687 Ethyl (methylthio)methyl disulfide C4H10S3 153.994462 NA MeJP NA NA +MetaCyc01059 uracil 5-carboxylate [Uracil 5-carboxylic acid;] C5H2N2O4 154.001457 23945-44-0 metacyc NA NA +C02876 Propanoyl phosphate C3H7O5P 154.0031 NA KEGG NA NA +C03505 Hydroxyacetone phosphate C3H7O5P 154.0031 NA KEGG NA NA +C03947 Glycerol 1,2-cyclic phosphate C3H7O5P 154.0031 NA KEGG NA NA +MJ002688 Propanoyl phosphate C3H7O5P 154.003109 NA MeJP NA NA +MJ002689 2-Hydroxy-3-(hydroxyphosphinyl)propanoic acid C3H7O5P 154.003109 NA MeJP NA NA +MetaCyc01060 propionyl-P [propionyl-phosphate;propanoyl-P;Propanoyl phosphate;] C3H7O5P1 154.00311 121-69-7 metacyc NA NA +MetaCyc01061 hydroxyacetone phosphate [acetol phosphate;] C3H7O5P1 154.00311 NA metacyc NA NA +MetaCyc01062 glycerol 1,2-cyclic phosphate [] C3H7O5P1 154.00311 NA metacyc NA NA +MJ002690 2-Mercaptobenzoic acid C7H6O2S 154.00885 NA MeJP NA NA +C00265 Dithiothreitol C4H10O2S2 154.0122 NA KEGG NA NA +C00950 Dithioerythritol C4H10O2S2 154.0122 NA KEGG NA NA +MetaCyc01063 dithiothreitol [dithiothreitol;DTT;1,4-Dithiothreitol;threo-1,4-Dimercapto-2,3-butanediol;1,4-disulfanylbutane-2,3-diol;1,4-Dithio-dl-threitol;] C4H10O2S2 154.012221 12/03/3483 metacyc NA NA +MetaCyc01064 dithioerythritol [DTE;erythro-1, 4-dimercapto-2,3-butanediol;] C4H10O2S2 154.012221 6892-68-8 metacyc NA NA +C06647 4-Chloroacetophenone C8H7ClO 154.0185 NA KEGG NA NA +MJ002691 4-Chloroacetophenone C8H7ClO 154.018542 NA MeJP NA NA +MJ002692 Sodium perborate tetrahydrate BH8NaO7 154.026077 NA MeJP NA NA +C00196 2,3-Dihydroxybenzoate C7H6O4 154.0266 NA KEGG NA NA +C00230 3,4-Dihydroxybenzoate C7H6O4 154.0266 NA KEGG NA NA +C00628 2,5-Dihydroxybenzoate C7H6O4 154.0266 NA KEGG NA NA +C16748 Patulin C7H6O4 154.0266 NA KEGG NA NA +MJ002693 1,7-Dioxaspiro[4.4]non-2-ene-4,8-dione C7H6O4 154.026608 NA MeJP NA NA +MJ002694 2,3,4-Trihydroxy-2,4,6-cycloheptatrien-1-one C7H6O4 154.026608 NA MeJP NA NA +MJ002695 2,3-Dihydroxy-5-methyl-1,4-benzoquinone C7H6O4 154.026608 NA MeJP NA NA +MJ002696 2,3-Dihydroxybenzoic acid C7H6O4 154.026608 NA MeJP NA NA +MJ002697 2,4,5-Trihydroxybenzaldehyde C7H6O4 154.026608 NA MeJP NA NA +MJ002698 2,4-Dihydroxybenzoic acid C7H6O4 154.026608 NA MeJP NA NA +MJ002699 2,5-Dihydroxy-3-methyl-1,4-benzoquinone C7H6O4 154.026608 NA MeJP NA NA +MJ002700 2,5-Dihydroxybenzoic acid C7H6O4 154.026608 NA MeJP NA NA +MJ002701 3,4,5-Trihydroxybenzaldehyde C7H6O4 154.026608 NA MeJP NA NA +MJ002702 3,4-Dihydroxybenzoic acid C7H6O4 154.026608 NA MeJP NA NA +MJ002703 3,5-Dihydroxybenzoic acid C7H6O4 154.026608 NA MeJP NA NA +MJ002704 4-Oxo-4H-pyran-3-acetic acid C7H6O4 154.026608 NA MeJP NA NA +MJ002705 Isopatulin C7H6O4 154.026608 NA MeJP NA NA +MJ002706 Patulin C7H6O4 154.026608 NA MeJP NA NA +MJ002707 Phyllostine C7H6O4 154.026608 NA MeJP NA NA +MJ002708 Terreic acid C7H6O4 154.026608 NA MeJP NA NA +MJ002709 2,3-Dihydroxybenzoate C7H6O4 154.026608 NA MeJP NA NA +MJ002710 2,5-Dihydroxybenzoate C7H6O4 154.026608 NA MeJP NA NA +MJ002711 3,4-Dihydroxybenzoate C7H6O4 154.026608 NA MeJP NA NA +MetaCyc01065 2,5-dihydroxybenzoate [Gentisic acid;Hydroquinonecarboxylic acid;Gentisate;] C7H6O4 154.026609 490-79-9 metacyc NA NA +MetaCyc01066 2,3-dihydroxybenzoate [2,3-Dihydroxybenzoic acid;] C7H6O4 154.026609 303-38-8 metacyc NA NA +MetaCyc01067 protocatechuate [protocatechuic acid;3,4-dihydroxybenzoate;3,4-dihydrobenzoic acid;Pca;] C7H6O4 154.026609 NA metacyc NA NA +HMDB00152 Gentisic acid C7H6O4 154.02661 http://www.hmdb.ca/metabolites/HMDB00152 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00397 2-Pyrocatechuic acid C7H6O4 154.02661 http://www.hmdb.ca/metabolites/HMDB00397 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01856 Protocatechuic acid C7H6O4 154.02661 http://www.hmdb.ca/metabolites/HMDB01856 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00152 Gentisic acid C7H6O4 154.02661 http://www.hmdb.ca/metabolites/HMDB00152 HMDB NA NA +HMDB00397 2-Pyrocatechuic acid C7H6O4 154.02661 http://www.hmdb.ca/metabolites/HMDB00397 HMDB NA NA +HMDB01856 Protocatechuic acid C7H6O4 154.02661 http://www.hmdb.ca/metabolites/HMDB01856 HMDB NA NA +HMDB00152 Gentisic acid C7H6O4 154.02661 http://www.hmdb.ca/metabolites/HMDB00152 PFEM_hmdb_metabocards_blood NA blood +HMDB00397 2-Pyrocatechuic acid C7H6O4 154.02661 http://www.hmdb.ca/metabolites/HMDB00397 PFEM_hmdb_metabocards_blood NA blood +HMDB01856 Protocatechuic acid C7H6O4 154.02661 http://www.hmdb.ca/metabolites/HMDB01856 PFEM_hmdb_metabocards_blood NA blood +HMDB00152 Gentisic acid C7H6O4 154.02661 HMDB00152 PFEM_hmdb_metabocards_official NA NA +HMDB00397 2-Pyrocatechuic acid C7H6O4 154.02661 HMDB00397 PFEM_hmdb_metabocards_official NA NA +HMDB01856 Protocatechuic acid C7H6O4 154.02661 HMDB01856 PFEM_hmdb_metabocards_official NA NA +HMDB00152 Gentisic acid C7H6O4 154.026611 NA HMDB2010 NA NA +HMDB00397 2-Pyrocatechuic acid C7H6O4 154.026611 NA HMDB2010 NA NA +HMDB01856 Protocatechuic acid C7H6O4 154.026611 NA HMDB2010 NA NA +HMDB13173 3,5-Dihydroxyphenylbenzoic acid C7H6O4 154.026611 NA HMDB2010 NA NA +CJneg0157 2,5-dihydroxybenzoic acid [(M-H)]- C7H5O4 154.027125 C18rt(min)=5.65 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0158 2,6-Dihydroxybenzoic acid [(M-H)]- C7H5O4 154.027125 C18rt(min)=6.12 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0159 3,5-dihydroxybenzoic acid / 3,4-dihydroxybenzoic acid [(M-H)]- C7H5O4 154.027125 C18rt(min)=4.83 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0160 2,3-Dihydroxybenzoic acid [(M-H)]- C7H5O4 154.027125 C18rt(min)=5.95 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0157 2,5-dihydroxybenzoic acid [(M-H)]- C7H5O4 154.027125 C18rt(min)=5.65 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0158 2,6-Dihydroxybenzoic acid [(M-H)]- C7H5O4 154.027125 C18rt(min)=6.12 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0159 3,5-dihydroxybenzoic acid / 3,4-dihydroxybenzoic acid [(M-H)]- C7H5O4 154.027125 C18rt(min)=4.83 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0160 2,3-Dihydroxybenzoic acid [(M-H)]- C7H5O4 154.027125 C18rt(min)=5.95 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C14706 Diethyl sulfate C4H10O4S 154.03 NA KEGG NA NA +C03277 Imidazol-5-yl-pyruvate C6H6N2O3 154.0378 NA KEGG NA NA +C03278 Inactivated bradykinin C6H6N2O3 154.0378 NA KEGG NA NA +C03762 3-Imidazole-2-oxopropanoate C6H6N2O3 154.0378 NA KEGG NA NA +MJ002712 5-Methylpyrazinecarboxylic acid; 4-N-Oxide C6H6N2O3 154.037842 NA MeJP NA NA +MJ002713 Imidazol-5-yl-pyruvate C6H6N2O3 154.037842 NA MeJP NA NA +MetaCyc01068 imidazole-pyruvate [3-(imidazol-5-yl)-pyruvate;imidazol-5-yl-pyruvate;] C6H6N2O3 154.037842 NA metacyc NA NA +HMDB12209 Diethylphosphate C4H11O4P 154.03949 NA HMDB2010 NA NA +MJ002714 Diethylphosphoric acid C4H11O4P 154.039495 NA MeJP NA NA +MetaCyc01069 diethylphosphate [Diethylphosphoric acid;O,O-diethylphosphoric acid;diethylphosphate;phosphoric acid, diethyl ester;diethyl hydrogen phosphate;diethyl phosphoric acid;] C4H11O4P1 154.039495 598-02-7 metacyc NA NA +C06608 Diethylphosphoric acid C4H11O4P 154.0395 NA KEGG NA NA +MJ002715 1-Phenyl-2,4-pentadiyn-1-one C11H6O 154.041864 NA MeJP NA NA +CJpos0319 Hydroxyanthranilic acid isomer [(M+H)]+ (13C) C613CH8NO3 154.045375 C18rt(min)=4.55 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0319 Hydroxyanthranilic acid isomer [(M+H)]+ (13C) C613CH8NO3 154.045375 C18rt(min)=4.55 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ002716 1H-Imidazole-4,5-dicarboxamide C5H6N4O2 154.049075 NA MeJP NA NA +CJpos0320 N4-acetylcytidine [(M+H)-(C5H8O4)]+ (13C) C513CH8N3O2 154.056675 C18rt(min)=4.51 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0320 N4-acetylcytidine [(M+H)-(C5H8O4)]+ (13C) C513CH8N3O2 154.056675 C18rt(min)=4.51 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0321 Butyrylcarnitine [(M+H)-(NC3H9)-(H2O)]+ C8H11N0O3 154.062475 C18rt(min)=4.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0322 Hydroxysuberic acid isomer [(M+H)-2(H2O)]+ C8H11O3 154.062475 C18rt(min)=4.9 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0321 Butyrylcarnitine [(M+H)-(NC3H9)-(H2O)]+ C8H11N0O3 154.062475 C18rt(min)=4.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0322 Hydroxysuberic acid isomer [(M+H)-2(H2O)]+ C8H11O3 154.062475 C18rt(min)=4.9 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +JH135 Syringic acid [M+H-OMe-Me]+ NA 154.0629 11.87 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH135 Syringic acid [M+H-OMe-Me]+ NA 154.0629 11.87 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH135 Syringic acid [M+H-OMe-Me]+ NA 154.0629 11.87 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH135 Syringic acid [M+H-OMe-Me]+ NA 154.0629 11.87 Inhousejuil11 NA NA +HMDB05784 Hydroxytyrosol C8H10O3 154.062988 NA HMDB2010 NA NA +HMDB05784 Hydroxytyrosol C8H10O3 154.06299 http://www.hmdb.ca/metabolites/HMDB05784 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05784 Hydroxytyrosol C8H10O3 154.06299 http://www.hmdb.ca/metabolites/HMDB05784 HMDB NA NA +HMDB05784 Hydroxytyrosol C8H10O3 154.06299 http://www.hmdb.ca/metabolites/HMDB05784 PFEM_hmdb_metabocards_blood NA blood +HMDB05784 Hydroxytyrosol C8H10O3 154.06299 HMDB05784 PFEM_hmdb_metabocards_official NA NA +MJ002717 1,2,3-Benzenetriol; 1,2-Di-Me ether C8H10O3 154.062994 NA MeJP NA NA +MJ002718 1,2,3-Benzenetriol; 1,3-Di-Me ether C8H10O3 154.062994 NA MeJP NA NA +MJ002719 1,2,4-Benzenetriol; 1,2-Di-Me ether C8H10O3 154.062994 NA MeJP NA NA +MJ002720 2,2-Dimethyl-1,3,5-cyclohexanetrione C8H10O3 154.062994 NA MeJP NA NA +MJ002721 2-(2,5-Dihydroxyphenyl)ethanol C8H10O3 154.062994 NA MeJP NA NA +MJ002722 2-(3,4-Dihydroxyphenyl)ethanol C8H10O3 154.062994 NA MeJP NA NA +MJ002723 3,4-Dihydroxybenzyl alcohol; 3-Me ether C8H10O3 154.062994 NA MeJP NA NA +MJ002724 3,5-Dihydroxybenzyl alcohol; 3-Me ether C8H10O3 154.062994 NA MeJP NA NA +MJ002725 4-Hydroxy-3,6-dimethyl-2H-pyran-2-one; Me ether C8H10O3 154.062994 NA MeJP NA NA +MJ002726 5,6,7,8-Tetrahydro-8-methyl-2H-oxecin-2,5-dione C8H10O3 154.062994 NA MeJP NA NA +MJ002727 5-Hydroxy-3-methoxy-5-vinyl-2-cyclopenten-1-one C8H10O3 154.062994 NA MeJP NA NA +MJ002728 5-Methyl-1,2,3-benzenetriol; 1-Me ether C8H10O3 154.062994 NA MeJP NA NA +MJ002729 6-Methyl-1,2,4-benzenetriol; 2-Me ether C8H10O3 154.062994 NA MeJP NA NA +MJ002730 Aquilegiolide; 4,5-Dihydro C8H10O3 154.062994 NA MeJP NA NA +MJ002731 Aquilegiolide; 7a-Epimer, 4,5-dihydro C8H10O3 154.062994 NA MeJP NA NA +MJ002732 Dihydro-5-(1-hydroxy-2-butenyl)-2(3H)-furanone; 3,4-Didehydro C8H10O3 154.062994 NA MeJP NA NA +MJ002733 Dihydro-5-(1-hydroxy-2-butenyl)-2(3H)-furanone; 5-Epimer, 3,4-didehydro C8H10O3 154.062994 NA MeJP NA NA +MJ002734 Hexahydro-3a,4-dihydroxy-6(2H)-benzofuranone, 4-Deoxy, 4,5-didehydro C8H10O3 154.062994 NA MeJP NA NA +MJ002735 Phomalactone C8H10O3 154.062994 NA MeJP NA NA +MJ002736 Rengyolone C8H10O3 154.062994 NA MeJP NA NA +MJ002737 Terrein C8H10O3 154.062994 NA MeJP NA NA +MJ002738 ?-Oxo-3-cyclohexene-1-acetic acid C8H10O3 154.062994 NA MeJP NA NA +MJ002739 4-Hydroxy-3-methoxy-benzenemethanol C8H10O3 154.062994 NA MeJP NA NA +MetaCyc01070 vanillyl alcohol [] C8H10O3 154.062994 498-00-0 metacyc NA NA +C06317 4-Hydroxy-3-methoxy-benzenemethanol C8H10O3 154.063 NA KEGG NA NA +C10787 2,6-Dimethoxyphenol C8H10O3 154.063 NA KEGG NA NA +CJpos0323 Gly-pro (glycylproline) [(M+H)-(H2O)]+ C7H11N2O2 154.073675 C18rt(min)=1.02 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0324 Pro-Gly (prolylglycine) [(M+H)-(H2O)]+ C7H11N2O2 154.073675 C18rt(min)=0.98 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0323 Gly-pro (glycylproline) [(M+H)-(H2O)]+ C7H11N2O2 154.073675 C18rt(min)=1.02 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0324 Pro-Gly (prolylglycine) [(M+H)-(H2O)]+ C7H11N2O2 154.073675 C18rt(min)=0.98 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ002740 Hexahydropyrrolo[1,2-a]pyrazine-1,4-dione C7H10N2O2 154.074227 NA MeJP NA NA +MJ002741 Pyracrimycin B C7H10N2O2 154.074227 NA MeJP NA NA +MJ002742 Zooanemonin C7H10N2O2 154.074227 NA MeJP NA NA +MJ002743 Biphenyl C12H10 154.07825 NA MeJP NA NA +MJ002744 1-Phenyl-1,3-hexadiyne C12H10 154.07825 NA MeJP NA NA +MJ002745 1-Phenyl-2,4-hexadiyne C12H10 154.07825 NA MeJP NA NA +MJ002746 2,4-Dodecadiene-6,8,10-triyne C12H10 154.07825 NA MeJP NA NA +MJ002747 3-Methyl-3-phenyl-1,4-pentadiyne C12H10 154.07825 NA MeJP NA NA +MetaCyc01071 Biphenyl [] C12H10 154.07825 NA metacyc NA NA +C06588 Biphenyl C12H10 154.0783 NA KEGG NA NA +C16927 Capillene C12H10 154.0783 NA KEGG NA NA +MJ002748 1-Hydroxy-2-nonyn-4-one C9H14O2 154.099379 NA MeJP NA NA +MJ002749 2,4-Hexadien-1-ol, Propanoyl C9H14O2 154.099379 NA MeJP NA NA +MJ002750 2,6-Dimethyl-2,5-heptadienoic acid C9H14O2 154.099379 NA MeJP NA NA +MJ002751 2,6-Nonadienoic acid C9H14O2 154.099379 NA MeJP NA NA +MJ002752 3-Butyl-5-methyl-5H-furan-2-one C9H14O2 154.099379 NA MeJP NA NA +MJ002753 3-Ethenyl-3,4-dihydro-2H-pyran-4-ethanol C9H14O2 154.099379 NA MeJP NA NA +MJ002754 3-Hexenoic acid, 2-Propenyl ester C9H14O2 154.099379 NA MeJP NA NA +MJ002755 3-Nonene-2,5-dione C9H14O2 154.099379 NA MeJP NA NA +MJ002756 4,6,8-Nonatriene-2,3-diol C9H14O2 154.099379 NA MeJP NA NA +MJ002757 4-Vinyl-2,8-dioxabicyclo[3.3.1]nonane C9H14O2 154.099379 NA MeJP NA NA +MJ002758 6-Hydroxy-6-methyl-3,7-octadien-2-one C9H14O2 154.099379 NA MeJP NA NA +MJ002759 6-Methyl-2,4-octadienoic acid C9H14O2 154.099379 NA MeJP NA NA +MJ002760 7-Ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-ene C9H14O2 154.099379 NA MeJP NA NA +MJ002761 8-Nonynoic acid C9H14O2 154.099379 NA MeJP NA NA +MJ002762 Boschnialactone C9H14O2 154.099379 NA MeJP NA NA +MJ002763 Dihydro-5-(2-pentenyl)-2(3H)-furanone C9H14O2 154.099379 NA MeJP NA NA +MJ002764 Mitsugashiwalactone C9H14O2 154.099379 NA MeJP NA NA +EUR007 4-oxo-2-nonenal C9H14O2 154.09938 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR007 4-oxo-2-nonenal C9H14O2 154.09938 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR007 4-oxo-2-nonenal C9H14O2 154.09938 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR007 4-oxo-2-nonenal C9H14O2 154.09938 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR007 4-oxo-2-nonenal C9H14O2 154.09938 Wishlist HMDB NA NA +EUR007 4-oxo-2-nonenal C9H14O2 154.09938 Wishlist Inhouse_PFEM NA NA +EUR007 4-oxo-2-nonenal C9H14O2 154.09938 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR007 4-oxo-2-nonenal C9H14O2 154.09938 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR007 4-oxo-2-nonenal C9H14O2 154.0994 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR007 4-oxo-2-nonenal C9H14O2 154.0994 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR007 4-oxo-2-nonenal C9H14O2 154.0994 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR007 4-oxo-2-nonenal C9H14O2 154.0994 Wishlist Inhousejuil11 NA NA +C09772 Boschnialactone C9H14O2 154.0994 NA KEGG NA NA +MJ002765 1,2,5,6-Tetrahydro-3-pyridinecarboxaldehyde; N-Me, (E)-O-methyloxime C8H14N2O 154.110613 NA MeJP NA NA +MJ002766 Loline C8H14N2O 154.110613 NA MeJP NA NA +MJ002767 Guancidine C7H14N4 154.121846 NA MeJP NA NA +EUR517 12-HPETE F6 F6 154.135325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR517 12-HPETE F6 NA 154.135325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR517 12-HPETE F6 F6 154.135325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR517 12-HPETE F6 NA 154.135325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR517 12-HPETE F6 F6 154.135325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR517 12-HPETE F6 NA 154.135325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR517 12-HPETE F6 F6 154.135325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR517 12-HPETE F6 F6 154.135325 standards wishlist analysés sur QTOF HMDB NA NA +EUR517 12-HPETE F6 F6 154.135325 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR517 12-HPETE F6 NA 154.135325 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR517 12-HPETE F6 F6 154.135325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR517 12-HPETE F6 F6 154.135325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB04043 Alpha-Terpineol C10H18O 154.135757 NA HMDB2010 NA NA +HMDB04472 Eucalyptol C10H18O 154.135757 NA HMDB2010 NA NA +HMDB05812 Geraniol C10H18O 154.135757 NA HMDB2010 NA NA +MJ002768 1,2-Dimethyl-3-(1-methylethenyl)cyclopentanol C10H18O 154.135765 NA MeJP NA NA +MJ002769 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol C10H18O 154.135765 NA MeJP NA NA +MJ002770 1,4-Epoxy-p-menthane C10H18O 154.135765 NA MeJP NA NA +MJ002771 1,8-Epoxy-p-menthane C10H18O 154.135765 NA MeJP NA NA +MJ002772 1-(2-Hydroxyethyl)-2-isopropenyl-1-methylcyclobutane C10H18O 154.135765 NA MeJP NA NA +MJ002773 10-Pinanol C10H18O 154.135765 NA MeJP NA NA +MJ002774 2,5,5-Trimethyl-3,6-heptadien-2-ol C10H18O 154.135765 NA MeJP NA NA +MJ002775 2,6-Dimethyl-4,7-octadien-2-ol C10H18O 154.135765 NA MeJP NA NA +MJ002776 2,6-Dimethyl-5,7-octadien-2-ol C10H18O 154.135765 NA MeJP NA NA +MJ002777 2,6-Dimethyl-7-octen-3-one C10H18O 154.135765 NA MeJP NA NA +MJ002778 2,6-Dimethyl-7-octen-4-one C10H18O 154.135765 NA MeJP NA NA +MJ002779 2-Bornanol C10H18O 154.135765 NA MeJP NA NA +MJ002780 2-Caranol C10H18O 154.135765 NA MeJP NA NA +MJ002781 2-Decenal C10H18O 154.135765 NA MeJP NA NA +MJ002782 2-Methyl-6-methylene-2,7-octadien-4-ol, 2,3-Dihydro C10H18O 154.135765 NA MeJP NA NA +MJ002783 2-Methyl-6-methylene-7-octen-2-ol C10H18O 154.135765 NA MeJP NA NA +MJ002784 2-Ochtoden-1-al, 1-Alcohol C10H18O 154.135765 NA MeJP NA NA +MJ002785 3,3,6-Trimethyl-1,5-heptadien-4-ol C10H18O 154.135765 NA MeJP NA NA +MJ002786 3,3-Dimethylbicyclo[2.2.1]heptane-2-methanol C10H18O 154.135765 NA MeJP NA NA +MJ002787 3,7-Dimethyl-1,6-octadien-3-ol C10H18O 154.135765 NA MeJP NA NA +MJ002788 3,7-Dimethyl-2,6-octadien-1-ol C10H18O 154.135765 NA MeJP NA NA +MJ002789 3,7-Dimethyl-3,6-octadien-1-ol C10H18O 154.135765 NA MeJP NA NA +MJ002790 3,7-Dimethyl-6-octenal C10H18O 154.135765 NA MeJP NA NA +MJ002791 3-Caranol C10H18O 154.135765 NA MeJP NA NA +MJ002792 3-Methyl-2-nonen-4-one C10H18O 154.135765 NA MeJP NA NA +MJ002793 3-Pinanol C10H18O 154.135765 NA MeJP NA NA +MJ002794 4,6-Dimethyl-4-octen-3-one C10H18O 154.135765 NA MeJP NA NA +MJ002795 4,6-Dimethyl-6-octen-3-one C10H18O 154.135765 NA MeJP NA NA +MJ002796 4,7-Decadien-1-ol C10H18O 154.135765 NA MeJP NA NA +MJ002797 4-Thujanol C10H18O 154.135765 NA MeJP NA NA +MJ002798 4-tert-Butyl-2-cyclohexen-1-ol C10H18O 154.135765 NA MeJP NA NA +MJ002799 5-Ethyl-6-methyl-3-hepten-2-one C10H18O 154.135765 NA MeJP NA NA +MJ002800 6,8-Epoxy-p-menthane C10H18O 154.135765 NA MeJP NA NA +MJ002801 7-Methyl-3-methylene-6-octen-1-ol C10H18O 154.135765 NA MeJP NA NA +MJ002802 7-Methyl-3-methylene-7-octen-1-ol C10H18O 154.135765 NA MeJP NA NA +MJ002803 ?-Necrodol C10H18O 154.135765 NA MeJP NA NA +MJ002804 Campholenic alcohol C10H18O 154.135765 NA MeJP NA NA +MJ002805 Chrysanthemol C10H18O 154.135765 NA MeJP NA NA +MJ002806 Lavandulol C10H18O 154.135765 NA MeJP NA NA +MJ002807 Rose oxide C10H18O 154.135765 NA MeJP NA NA +MJ002808 Santolina alcohol C10H18O 154.135765 NA MeJP NA NA +MJ002809 Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan C10H18O 154.135765 NA MeJP NA NA +MJ002810 m-Menth-1(6)-en-8-ol C10H18O 154.135765 NA MeJP NA NA +MJ002811 m-Menth-1-en-8-ol C10H18O 154.135765 NA MeJP NA NA +MJ002812 m-Menth-8-en-1-ol C10H18O 154.135765 NA MeJP NA NA +MJ002813 p-Menth-1(7)-en-8-ol C10H18O 154.135765 NA MeJP NA NA +MJ002814 p-Menth-1-en-3-ol C10H18O 154.135765 NA MeJP NA NA +MJ002815 p-Menth-1-en-4-ol C10H18O 154.135765 NA MeJP NA NA +MJ002816 p-Menth-1-en-5-ol C10H18O 154.135765 NA MeJP NA NA +MJ002817 p-Menth-1-en-7-ol C10H18O 154.135765 NA MeJP NA NA +MJ002818 p-Menth-1-en-8-ol C10H18O 154.135765 NA MeJP NA NA +MJ002819 p-Menth-1-en-9-ol C10H18O 154.135765 NA MeJP NA NA +MJ002820 p-Menth-2-en-1-ol C10H18O 154.135765 NA MeJP NA NA +MJ002821 p-Menth-3-en-1-ol C10H18O 154.135765 NA MeJP NA NA +MJ002822 p-Menth-3-en-8-ol C10H18O 154.135765 NA MeJP NA NA +MJ002823 p-Menth-4(8)-en-1-ol C10H18O 154.135765 NA MeJP NA NA +MJ002824 p-Menth-4(8)-en-2-ol C10H18O 154.135765 NA MeJP NA NA +MJ002825 p-Menth-4(8)-en-3-ol C10H18O 154.135765 NA MeJP NA NA +MJ002826 p-Menth-4(8)-en-7-ol C10H18O 154.135765 NA MeJP NA NA +MJ002827 p-Menth-8-en-1-ol C10H18O 154.135765 NA MeJP NA NA +MJ002828 p-Menth-8-en-2-ol C10H18O 154.135765 NA MeJP NA NA +MJ002829 p-Menth-8-en-3-ol C10H18O 154.135765 NA MeJP NA NA +MJ002830 p-Menth-8-en-7-ol C10H18O 154.135765 NA MeJP NA NA +MJ002831 p-Menthan-2-one C10H18O 154.135765 NA MeJP NA NA +MJ002832 p-Menthan-3-one C10H18O 154.135765 NA MeJP NA NA +MJ002833 (-)-endo-Fenchol C10H18O 154.135765 NA MeJP NA NA +MetaCyc01072 geraniol [] C10H18O1 154.135765 106-24-1 metacyc NA NA +MetaCyc01073 (-)-endo-fenchol [fenchyl alcohol;] C10H18O1 154.135765 1632-73-1 metacyc NA NA +MetaCyc01074 sabinene hydrate [] C10H18O1 154.135765 546-79-2 metacyc NA NA +MetaCyc01075 3,7-dimethylocta-1,6-dien-3-ol [] C10H18O1 154.135765 NA metacyc NA NA +MetaCyc01076 (-)-(4S)-α-terpineol [] C10H18O1 154.135765 NA metacyc NA NA +MetaCyc01077 (-)-borneol [L-borneol;(1S,2R,4S)-(-)-borneol;] C10H18O1 154.135765 NA metacyc NA NA +MetaCyc01078 (+)-borneol [d-borneol;borneocamphor;endo-2-bornanol;sumatra camphor;(1R,2S,4R)-(+)-borneol;] C10H18O1 154.135765 NA metacyc NA NA +MetaCyc01079 (+)-isomenthone [] C10H18O1 154.135765 NA metacyc NA NA +MetaCyc01080 1,8-cineole [cineole;1,8-epoxy-p-menthane;1,8-oxido-p-menthane;eucalyptol;cajeputol;] C10H18O1 154.135765 NA metacyc NA NA +MetaCyc01081 (-)-menthone [l-menthone;p-menthan-3-one;] C10H18O1 154.135765 10458-14-7 metacyc NA NA +HMDB04472 Eucalyptol C10H18O 154.13577 http://www.hmdb.ca/metabolites/HMDB04472 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04043 alpha-Terpineol C10H18O 154.13577 http://www.hmdb.ca/metabolites/HMDB04043 HMDB NA NA +HMDB04472 Eucalyptol C10H18O 154.13577 http://www.hmdb.ca/metabolites/HMDB04472 HMDB NA NA +HMDB05812 Geraniol C10H18O 154.13577 http://www.hmdb.ca/metabolites/HMDB05812 HMDB NA NA +HMDB04472 Eucalyptol C10H18O 154.13577 http://www.hmdb.ca/metabolites/HMDB04472 PFEM_hmdb_metabocards_blood NA blood +HMDB04043 alpha-Terpineol C10H18O 154.13577 HMDB04043 PFEM_hmdb_metabocards_official NA NA +HMDB04472 Eucalyptol C10H18O 154.13577 HMDB04472 PFEM_hmdb_metabocards_official NA NA +HMDB05812 Geraniol C10H18O 154.13577 HMDB05812 PFEM_hmdb_metabocards_official NA NA +C00843 (-)-Menthone C10H18O 154.1358 NA KEGG NA NA +C01411 Borneol C10H18O 154.1358 NA KEGG NA NA +C01500 Geraniol C10H18O 154.1358 NA KEGG NA NA +C01765 (+)-Borneol C10H18O 154.1358 NA KEGG NA NA +C01766 (-)-Borneol C10H18O 154.1358 NA KEGG NA NA +C02344 (-)-endo-Fenchol C10H18O 154.1358 NA KEGG NA NA +C02462 Sabinene hydrate C10H18O 154.1358 NA KEGG NA NA +C02484 (+)-trans-Pulegol C10H18O 154.1358 NA KEGG NA NA +C03039 (+)-trans-Piperitenol C10H18O 154.1358 NA KEGG NA NA +C03985 3,7-Dimethylocta-1,6-dien-3-ol C10H18O 154.1358 NA KEGG NA NA +C09844 1,8-Cineole C10H18O 154.1358 NA KEGG NA NA +C09848 (R)-(+)-Citronellal C10H18O 154.1358 NA KEGG NA NA +C09871 Nerol C10H18O 154.1358 NA KEGG NA NA +C09902 (R)-(+)-alpha-Terpineol C10H18O 154.1358 NA KEGG NA NA +C11384 (S)-(-)-Citronellal C10H18O 154.1358 NA KEGG NA NA +C11385 Globotetraosylceramide C45H79N2O23R 154.1358 NA KEGG NA NA +C11388 (-)-Linalool C10H18O 154.1358 NA KEGG NA NA +C11389 (+)-Linalool C10H18O 154.1358 NA KEGG NA NA +C11390 (+)-Menthone C10H18O 154.1358 NA KEGG NA NA +C11393 (-)-alpha-Terpineol C10H18O 154.1358 NA KEGG NA NA +C11396 (1R,2R,4R)-Dihydrocarveol C10H18O 154.1358 NA KEGG NA NA +C11397 (1R,2S,4R)-Neo-dihydrocarveol C10H18O 154.1358 NA KEGG NA NA +C11399 (1S,2S,4R)-Iso-dihydrocarveol C10H18O 154.1358 NA KEGG NA NA +C11400 (1S,2R,4R)-Neoiso-dihydrocarveol C10H18O 154.1358 NA KEGG NA NA +C11410 (1R,2S,4S)- Neoiso-dihydrocarveol C10H18O 154.1358 NA KEGG NA NA +C11411 (1R,2R,4S)-Iso-dihydrocarveol C10H18O 154.1358 NA KEGG NA NA +C11413 (1S,2S,4S)-Dihydrocarveol C10H18O 154.1358 NA KEGG NA NA +C11416 (1S,2R,4S)-Neo-dihydrocarveol C10H18O 154.1358 NA KEGG NA NA +C11952 (+)-Isomenthone C10H18O 154.1358 NA KEGG NA NA +C16772 DL-alpha-Terpineol C10H18O 154.1358 NA KEGG NA NA +C16909 1,4-Cineole C10H18O 154.1358 NA KEGG NA NA +C17073 Terpineol-4 C10H18O 154.1358 NA KEGG NA NA +C17125 (-)-Isomenthone C10H18O 154.1358 NA KEGG NA NA +C17384 Citronellal C10H18O 154.1358 NA KEGG NA NA +C17517 beta-Terpineol C10H18O 154.1358 NA KEGG NA NA +C17518 gamma-Terpineol C10H18O 154.1358 NA KEGG NA NA +C17611 Chrysanthemol C10H18O 154.1358 NA KEGG NA NA +C18017 8-p-Menthen-2-ol C10H18O 154.1358 NA KEGG NA NA +MJ002834 1-Undecene C11H22 154.17215 NA MeJP NA NA +MJ002835 3-Undecene C11H22 154.17215 NA MeJP NA NA +MJ002836 4-Undecene C11H22 154.17215 NA MeJP NA NA +8026 synthetic peptide PHG 154.5655 MH2+ Inhouse_peptide NA peptide +7691 ACE inhibitor from wakame KY 154.5785 MH2+ Inhouse_peptide NA peptide +7697 ACE inhibitor from wakame YK 154.5785 MH2+ Inhouse_peptide NA peptide +C17383 Cobaltous sulfate SO4 154.8849 NA KEGG NA NA +HMDB03629 2-Chlorobenzoic acid C7H4ClO2 154.98997 http://www.hmdb.ca/metabolites/HMDB03629 HMDB NA NA +HMDB03629 2-Chlorobenzoic acid C7H4ClO2 154.98997 HMDB03629 PFEM_hmdb_metabocards_official NA NA +C11731 m-Chlorobenzamide C7H6ClNO 155.0138 NA KEGG NA NA +HMDB02916 4-Nitrocatechol C6H5NO4 155.021851 NA HMDB2010 NA NA +HMDB06200 2,4-Dihydroxy-nitrophenol C6H5NO4 155.021851 NA HMDB2010 NA NA +MJ002837 1H-Pyrrole-2,3-dicarboxylic acid C6H5NO4 155.021857 NA MeJP NA NA +MJ002838 1H-Pyrrole-2,5-dicarboxylic acid C6H5NO4 155.021857 NA MeJP NA NA +MJ002839 2-Nitro-1,4-benzenediol C6H5NO4 155.021857 NA MeJP NA NA +MJ002840 4-Nitrocatechol C6H5NO4 155.021857 NA MeJP NA NA +MetaCyc01082 2,6-dihydroxynicotinate [] C6H5N1O4 155.021858 NA metacyc NA NA +MetaCyc01083 4-nitrocatechol [] C6H5N1O4 155.021858 09/04/3316 metacyc NA NA +HMDB02916 4-Nitrocatechol C6H5NO4 155.02187 http://www.hmdb.ca/metabolites/HMDB02916 HMDB NA NA +HMDB06200 2,4 dihydroxy nitrophenol C6H5NO4 155.02187 http://www.hmdb.ca/metabolites/HMDB06200 HMDB NA NA +HMDB02916 4-Nitrocatechol C6H5NO4 155.02187 HMDB02916 PFEM_hmdb_metabocards_official NA NA +HMDB06200 2,4 dihydroxy nitrophenol C6H5NO4 155.02187 HMDB06200 PFEM_hmdb_metabocards_official NA NA +C02235 4-Nitrocatechol C6H5NO4 155.0219 NA KEGG NA NA +C15523 2,6-Dihydroxynicotinate C6H5NO4 155.0219 NA KEGG NA NA +CJneg0161 Pyrroledicarboxylic acid [(M-H)]- C6H4NO4 155.022425 C18rt(min)=5.2 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0161 Pyrroledicarboxylic acid [(M-H)]- C6H4NO4 155.022425 C18rt(min)=5.2 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ002841 2-Amino-3-hydroxy-1-propanesulfonic acid C3H9NO4S 155.025228 NA MeJP NA NA +MJ002842 2,2'-Dichloro-N-methyldiethylamine C5H11Cl2N 155.026854 NA MeJP NA NA +C07115 Mechlorethamine C5H11Cl2N 155.0269 NA KEGG NA NA +CJneg0162 2,5-dihydroxybenzoic acid [(M-H)]- (13C) C613CH5O4 155.030525 C18rt(min)=5.65 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0163 2,6-Dihydroxybenzoic acid [(M-H)]- (13C) C613CH5O4 155.030525 C18rt(min)=6.12 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0162 2,5-dihydroxybenzoic acid [(M-H)]- (13C) C613CH5O4 155.030525 C18rt(min)=5.65 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0163 2,6-Dihydroxybenzoic acid [(M-H)]- (13C) C613CH5O4 155.030525 C18rt(min)=6.12 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C01210 N-Methylethanolamine phosphate C3H10NO4P 155.0347 NA KEGG NA NA +C01211 Procollagen 5-hydroxy-L-lysine C7H13N3O3R2 155.0347 NA KEGG NA NA +C04122 D-1-Aminopropan-2-ol O-phosphate C3H10NO4P 155.0347 NA KEGG NA NA +C04125 [Isocitrate dehydrogenase (NADP+)] C4H6N2O3R2 155.0347 NA KEGG NA NA +C04126 L-1-Aminopropan-2-ol O-phosphate C3H10NO4P 155.0347 NA KEGG NA NA +C04128 Low-density lipoprotein L-serine C4H6N2O3R2 155.0347 NA KEGG NA NA +C04129 Membrane-derived oligosaccharide C4H6N2O3R2 155.0347 NA KEGG NA NA +MetaCyc01084 (R)-1-aminopropan-2-yl phosphate [] C3H10N1O4P1 155.034744 NA metacyc NA NA +MetaCyc01085 N-methylethanolamine phosphate [P-MME;] C3H10N1O4P1 155.034744 NA metacyc NA NA +7752 ACE inhibitor from shark meat hydrolysate EY 155.0525 MH2+ Inhouse_peptide NA peptide +C17367 (3S,5S)-Carbapenam-3-carboxylic acid C7H9NO3 155.0582 NA KEGG NA NA +MJ002843 1-Hydroxy-5-methoxy-6-methyl-2(1H)-pyridinone C7H9NO3 155.058243 NA MeJP NA NA +MJ002844 2,4-Pyrrolidinedione; Enol-form, Me ether, N-Ac C7H9NO3 155.058243 NA MeJP NA NA +MJ002845 6-Amino-5-hydroxy-1,3-cyclohexadiene-1-carboxylic acid C7H9NO3 155.058243 NA MeJP NA NA +MJ002846 7-Oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid C7H9NO3 155.058243 NA MeJP NA NA +MJ002847 Allomethadione C7H9NO3 155.058243 NA MeJP NA NA +JH047 Histidine C6H9N3O2 155.0652 Rtobs1.03 PFEM_hmdb_metabocards_urine NA urine +JH047 Histidine [M+H]+ C6H9N3O2 155.0652 1.03 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH047 Histidine C6H9N3O2 155.0652 Rtobs1.03 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH047 Histidine [M+H]+ C6H9N3O2 155.0652 1.03 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH047 Histidine C6H9N3O2 155.0652 Rtobs1.03 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH047 Histidine [M+H]+ C6H9N3O2 155.0652 1.03 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH047 Histidine C6H9N3O2 155.0652 Rtobs1.03 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH047 Histidine C6H9N3O2 155.0652 Rtobs1.03 HMDB NA NA +JH047 Histidine C6H9N3O2 155.0652 Rtobs1.03 Inhouse_PFEM NA NA +JH047 Histidine [M+H]+ C6H9N3O2 155.0652 1.03 Inhousejuil11 NA NA +JH047 Histidine C6H9N3O2 155.0652 Rtobs1.03 PFEM_hmdb_metabocards_blood NA blood +JH047 Histidine C6H9N3O2 155.0652 Rtobs1.03 PFEM_hmdb_metabocards_official NA NA +CJpos0325 Histidine (and isomer) [M+H]+ C6H10O2N3 155.068975 C18rt(min)=0.83 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0325 Histidine (and isomer) [M+H]+ C6H10O2N3 155.068975 C18rt(min)=0.83 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +EUR549 Histidine C6H9N3O2 155.069175 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR549 Histidine [M+H]+ 155.069175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR549 Histidine C6H9N3O2 155.069175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR549 Histidine [M+H]+ 155.069175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR549 Histidine C6H9N3O2 155.069175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR549 Histidine [M+H]+ 155.069175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR549 Histidine C6H9N3O2 155.069175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR549 Histidine C6H9N3O2 155.069175 identifiés dans sérum NuGO HMDB NA NA +EUR549 Histidine C6H9N3O2 155.069175 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR549 Histidine [M+H]+ 155.069175 identifies dans serum NuGO Inhousejuil11 NA NA +EUR549 Histidine C6H9N3O2 155.069175 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR549 Histidine C6H9N3O2 155.069175 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +HMDB00177 L-Histidine C6H9N3O2 155.06947 http://www.hmdb.ca/metabolites/HMDB00177 PFEM_hmdb_metabocards_urine NA urine +HMDB00177 L-Histidine C6H9N3O2 155.06947 http://www.hmdb.ca/metabolites/HMDB00177 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00177 L-Histidine C6H9N3O2 155.06947 http://www.hmdb.ca/metabolites/HMDB00177 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00177 L-Histidine C6H9N3O2 155.06947 http://www.hmdb.ca/metabolites/HMDB00177 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00177 L-Histidine C6H9N3O2 155.06947 http://www.hmdb.ca/metabolites/HMDB00177 HMDB NA NA +HMDB00177 L-Histidine C6H9N3O2 155.06947 Polypeptides ;SYN:[leu]enkephalin; [Leu 5]enkephalin; [5-Leucine]Enkephalin; [Leu5]-Enkephalin; Leucine enkephalinH2Blood Inhouse_peptide NA peptide +HMDB00177 L-Histidine C6H9N3O2 155.06947 http://www.hmdb.ca/metabolites/HMDB00177 PFEM_hmdb_metabocards_blood NA blood +HMDB00177 L-Histidine C6H9N3O2 155.06947 HMDB00177 PFEM_hmdb_metabocards_official NA NA +HMDB00177 L-Histidine C6H9N3O2 155.069473 NA HMDB2010 NA NA +MJ002848 Histidine C6H9N3O2 155.069476 NA MeJP NA NA +MJ002849 L-Histidine C6H9N3O2 155.069476 NA MeJP NA NA +MJ002850 2-Amino-3-(1-pyrazolyl)propanoic acid C6H9N3O2 155.069476 NA MeJP NA NA +MJ002851 2-Methyl-4(5)-nitroimidazole; 3H-form, N-Et C6H9N3O2 155.069476 NA MeJP NA NA +MJ002852 4-Amino-2-methoxy-5-pyrimidinemethanol C6H9N3O2 155.069476 NA MeJP NA NA +MJ002853 Histidine C6H9N3O2 155.069476 NA MeJP NA NA +MJ002854 Medazomide C6H9N3O2 155.069476 NA MeJP NA NA +MetaCyc01086 3-(pyrazol-1-yl)-L-alanine [β-(pyrazol-1-yl)-L-alanine;] C6H9N3O2 155.069477 NA metacyc NA NA +MetaCyc01087 bacimethrin [2-methoxy-4-amino-5-hydroxymethylpyrimidine;4-amino-2-methoxy-5-pyrimidinemethanol;4-amino-5-hydroxymethyl-2-methoxypyrimidine;bacimethrine;5-pyrimidinemethanol, 4-amino-2-methoxy-;] C6H9N3O2 155.069477 NA metacyc NA NA +MetaCyc01088 L-histidine [L-histidine;glyoxaline-5-alanine;α-amino-4-imidazoleproprionic acid;(S)-α-amino-1H-imidazole-4-propanoic acid;H;histidine;his;] C6H9N3O2 155.069477 71-00-1 metacyc NA NA +LABER019 Histidine NA 155.0695 156, 110, 83, 93 PFEM_hmdb_metabocards_urine NA urine +LABER019 Histidine NA 155.0695 156, 110, 83, 93 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER019 Histidine NA 155.0695 156, 110, 83, 93 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER019 Histidine NA 155.0695 156, 110, 83, 93 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER019 Histidine NA 155.0695 156, 110, 83, 93 HMDB NA NA +LABER019 Histidine NA 155.0695 156, 110, 83, 93 Inhouse_PFEM NA NA +LABER019 Histidine NA 155.0695 156, 110, 83, 93 Inhousejuil11 NA NA +C00135 L-Histidine C6H9N3O2 155.0695 NA KEGG NA NA +C00768 Histidine C6H9N3O2 155.0695 NA KEGG NA NA +C00769 Kininogen C6H9N3O2 155.0695 NA KEGG NA NA +C01162 3-(Pyrazol-1-yl)-L-alanine C6H9N3O2 155.0695 NA KEGG NA NA +C06419 D-Histidine C6H9N3O2 155.0695 NA KEGG NA NA +PJ000016 H C6H9N3O2 155.0695 NA PeJP NA NA +LABER019 Histidine NA 155.0695 156, 110, 83, 93 PFEM_hmdb_metabocards_blood NA blood +LABER019 Histidine NA 155.0695 156, 110, 83, 93 PFEM_hmdb_metabocards_official NA NA +MJ002855 4-Phenylpyridine C11H9N 155.073499 NA MeJP NA NA +MJ002856 7-Isothiocyanato-1-heptene C8H13NS 155.07687 NA MeJP NA NA +C06557 Deisopropylhydroxyatrazine C5H9N5O 155.0807 NA KEGG NA NA +MetaCyc01089 deethylhydroxyatrazine [OAIT;2-hydroxy-4-amino-6-isopropylamino-s-triazine;] C5H9N5O1 155.08071 NA metacyc NA NA +MetaCyc01090 N-ethylammeline [OEAT;deisopropylhydroxyatrazine;2-hydroxy-4-ethylamino-6-amino-s-triazine;] C5H9N5O1 155.08071 7313-54-4 metacyc NA NA +CJpos0326 N-Acetylleucine [(M+H)-(H2O)]+ C8H14NO2 155.094075 C18rt(min)=6.23 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0326 N-Acetylleucine [(M+H)-(H2O)]+ C8H14NO2 155.094075 C18rt(min)=6.23 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C06177 Retronecine C8H13NO2 155.0946 NA KEGG NA NA +C10129 Arecoline C8H13NO2 155.0946 NA KEGG NA NA +C10321 Heliotridine C8H13NO2 155.0946 NA KEGG NA NA +C10866 Scopoline C8H13NO2 155.0946 NA KEGG NA NA +MJ002857 1,2,3,6-Tetrahydro-2-pyridinecarboxylic acid, N-Di-Me, betaine C8H13NO2 155.094628 NA MeJP NA NA +MJ002858 1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid; Me ester C8H13NO2 155.094628 NA MeJP NA NA +MJ002859 1,2-Epoxy-1-hydroxymethylpyrrolizidine C8H13NO2 155.094628 NA MeJP NA NA +MJ002860 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol C8H13NO2 155.094628 NA MeJP NA NA +MJ002861 3-Ethyl-3-methylpentanedioic acid; Imide C8H13NO2 155.094628 NA MeJP NA NA +MJ002862 7-Hydroxy-1-methylenepyrrolizidine, N-Oxide C8H13NO2 155.094628 NA MeJP NA NA +MJ002863 Atpenin; Atpenin A4 C8H13NO2 155.094628 NA MeJP NA NA +MJ002864 Hexahydro-7a-hydroxy-3H-pyrrolizin-3-one, Me ether C8H13NO2 155.094628 NA MeJP NA NA +MJ002865 Scopine C8H13NO2 155.094628 NA MeJP NA NA +MJ002866 Scopoline C8H13NO2 155.094628 NA MeJP NA NA +MJ002867 ?-Amino-?-methyl-2-methylenecyclopropanepropanoic acid C8H13NO2 155.094628 NA MeJP NA NA +MJ002868 Retronecine C8H13NO2 155.094628 NA MeJP NA NA +C06184 N-Methylpelletierine C9H17NO 155.131 NA KEGG NA NA +MJ002869 1-(6-Methyl-2-piperidinyl)-2-propanone C9H17NO 155.131014 NA MeJP NA NA +MJ002870 2,2,6,6-Tetramethyl-4-piperidinone C9H17NO 155.131014 NA MeJP NA NA +MJ002871 2,2-Diethyl-4-pentenoic acid; Amide C9H17NO 155.131014 NA MeJP NA NA +MJ002872 2-(2-Hydroxybutyl)piperidine, 8-Ketone C9H17NO 155.131014 NA MeJP NA NA +MJ002873 Octahydro-8-indolizinemethanol C9H17NO 155.131014 NA MeJP NA NA +MJ002874 Pelletierine, N-Me C9H17NO 155.131014 NA MeJP NA NA +MJ002875 N-Methylpelletierine C9H17NO 155.131014 NA MeJP NA NA +MJ002876 1,2,2,6,6-Pentamethylpiperidine C10H21N 155.167399 NA MeJP NA NA +MJ002877 2-Butylpiperidine, N-Me C10H21N 155.167399 NA MeJP NA NA +MJ002878 3-Methylpyrrolidine, N-(2-Methylbutyl) C10H21N 155.167399 NA MeJP NA NA +MJ002879 3-Methylpyrrolidine, N-(3-Methylbutyl) C10H21N 155.167399 NA MeJP NA NA +MJ002880 Cylexedrine C10H21N 155.167399 NA MeJP NA NA +MJ002881 N-Methyl-2-cyclohexyl-2-propylamine C10H21N 155.167399 NA MeJP NA NA +MJ002882 2-Propylpiperidine, N-Di-Me C10H22N(+) 155.167399 NA MeJP NA NA +3524 ACE inhibitor (from bovine beta-CN) VPP 155.586 MH2+ Inhouse_peptide NA peptide +MJ002883 Iodoethane C2H5I 155.943593 NA MeJP NA NA +MetaCyc01091 iodoethane [ethyl iodide;] C2H5I1 155.943593 NA metacyc NA NA +MJ002884 Bromobenzene C6H5Br 155.957462 NA MeJP NA NA +MetaCyc01092 bromobenzene [] C6H5BR1 155.957463 108-86-1 metacyc NA NA +C11036 Bromobenzene C6H5Br 155.9575 NA KEGG NA NA +MJ002885 2-Phosphoglycolate C2H5O6P 155.982374 NA MeJP NA NA +MetaCyc01093 2-phosphoglycolate [2-p-glycolate;phosphoglycolate;Phosphoglycolic acid;] C2H5O6P1 155.982374 NA metacyc NA NA +HMDB00816 Phosphoglycolic acid C2H5O6P 155.982376 NA HMDB2010 NA NA +HMDB00816 Phosphoglycolic acid C2H5O6P 155.98238 http://www.hmdb.ca/metabolites/HMDB00816 HMDB NA NA +HMDB00816 Phosphoglycolic acid C2H5O6P 155.98238 HMDB00816 PFEM_hmdb_metabocards_official NA NA +C00988 2-Phosphoglycolate C2H5O6P 155.9824 NA KEGG NA NA +MJ002886 2-(Methylthio)ethanesulfonate C3H8O3S2 155.991485 NA MeJP NA NA +MJ002887 S-Propyl thiosulfate C3H8O3S2 155.991485 NA MeJP NA NA +MetaCyc01094 methyl-CoM [CH3-CoM;Me-S-CoM;Me-CoM;2-(methylthio)ethanesulfonate;methylcoenzyme M;CH3-S-CoM;s-methyl-CoM;] C3H8O3S2 155.991486 NA metacyc NA NA +C03920 2-(Methylthio)ethanesulfonate C3H8O3S2 155.9915 NA KEGG NA NA +HMDB01544 m-Chlorobenzoic acid C7H5ClO2 155.9978 http://www.hmdb.ca/metabolites/HMDB01544 HMDB NA NA +C02357 2-Chlorobenzoate C7H5ClO2 155.9978 NA KEGG NA NA +C02370 4-Chlorobenzoate C7H5ClO2 155.9978 NA KEGG NA NA +HMDB01544 m-Chlorobenzoic acid C7H5ClO2 155.9978 HMDB01544 PFEM_hmdb_metabocards_official NA NA +HMDB01544 m-Chlorobenzoic acid C7H5ClO2 155.997803 NA HMDB2010 NA NA +MJ002888 4-Chlorobenzoate C7H5ClO2 155.997807 NA MeJP NA NA +MetaCyc01095 4-chlorobenzoate [4-Chlorobenzoic acid;] C7H5O2CL1 155.997807 74-11-3 metacyc NA NA +MetaCyc01096 m-chlorobenzoate [m-chlorobenzoic acid;3-chlorobenzoic acid;] C7H5O2CL1 155.997807 NA metacyc NA NA +MetaCyc01097 2-chlorobenzoate [2-chlorobenzoic acid;o-chlorobenzoic acid;] C7H5O2CL1 155.997807 118-91-2 metacyc NA NA +JH077 Aconitic acid (cis-) [M+H-H20]+ NA 155.9997 7.59 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH077 Aconitic acid (cis-) [M+H-H20]+ NA 155.9997 7.59 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH077 Aconitic acid (cis-) [M+H-H20]+ NA 155.9997 7.59 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH077 Aconitic acid (cis-) [M+H-H20]+ NA 155.9997 7.59 Inhousejuil11 NA NA +JH117 Citric acid [M+H-2H2O]+ NA 156.0017 2.57 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH117 Citric acid [M+H-2H2O]+ NA 156.0017 2.57 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH117 Citric acid [M+H-2H2O]+ NA 156.0017 2.57 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH117 Citric acid [M+H-2H2O]+ NA 156.0017 2.57 Inhousejuil11 NA NA +MetaCyc01098 5-azaorotate [oxonate;allantoxanic acid;5-azaorotic acid;1,4,5,6-tetrahydro-4,6-dioxo-s-triazine-2-carboxylic acid;oxonic acid;2,6-dihydroxytriazinecarboxylate;s-triazine-2,4-dione-6-carboxylate;] C4H2N3O4 156.004531 NA metacyc NA NA +HMDB04812 2,5-Furandicarboxylic acid C6H4O5 156.00587 http://www.hmdb.ca/metabolites/HMDB04812 PFEM_hmdb_metabocards_urine NA urine +HMDB04812 2,5-Furandicarboxylic acid C6H4O5 156.00587 http://www.hmdb.ca/metabolites/HMDB04812 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04812 2,5-Furandicarboxylic acid C6H4O5 156.00587 http://www.hmdb.ca/metabolites/HMDB04812 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04812 2,5-Furandicarboxylic acid C6H4O5 156.00587 http://www.hmdb.ca/metabolites/HMDB04812 HMDB NA NA +HMDB04812 2,5-Furandicarboxylic acid C6H4O5 156.00587 HMDB04812 PFEM_hmdb_metabocards_official NA NA +HMDB04812 2,5-Furandicarboxylic acid C6H4O5 156.005875 NA HMDB2010 NA NA +MJ002889 (4-Chlorophenyl)dihydroxyborane C6H6BClO2 156.014937 NA MeJP NA NA +C00295 Orotate C5H4N2O4 156.0171 NA KEGG NA NA +C03030 Uracil 5-carboxylate C5H4N2O4 156.0171 NA KEGG NA NA +HMDB00226 Orotic acid C5H4N2O4 156.017105 NA HMDB2010 NA NA +MJ002890 Orotate C5H4N2O4 156.017106 NA MeJP NA NA +MJ002891 2,6-Dihydroxy-4-pyrimidinecarboxylic acid C5H4N2O4 156.017106 NA MeJP NA NA +MetaCyc01099 orotate [orotic acid;] C5H4N2O4 156.017107 65-86-1 metacyc NA NA +HMDB00226 Orotic acid C5H4N2O4 156.01711 http://www.hmdb.ca/metabolites/HMDB00226 PFEM_hmdb_metabocards_urine NA urine +HMDB00226 Orotic acid C5H4N2O4 156.01711 http://www.hmdb.ca/metabolites/HMDB00226 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00226 Orotic acid C5H4N2O4 156.01711 http://www.hmdb.ca/metabolites/HMDB00226 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00226 Orotic acid C5H4N2O4 156.01711 http://www.hmdb.ca/metabolites/HMDB00226 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00226 Orotic acid C5H4N2O4 156.01711 http://www.hmdb.ca/metabolites/HMDB00226 HMDB NA NA +HMDB00226 Orotic acid C5H4N2O4 156.01711 http://www.hmdb.ca/metabolites/HMDB00226 PFEM_hmdb_metabocards_blood NA blood +HMDB00226 Orotic acid C5H4N2O4 156.01711 HMDB00226 PFEM_hmdb_metabocards_official NA NA +CJneg0164 Orotic acid (and isomer) [(M-H)]- C5H3N2O4 156.017625 C18rt(min)=1.03 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0164 Orotic acid (and isomer) [(M-H)]- C5H3N2O4 156.017625 C18rt(min)=1.03 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MetaCyc01100 1,2-propanediol 1-phosphate [propane-1,2-diol 1-phosphate;] C3H9O5P1 156.01876 NA metacyc NA NA +C03894 Propane-1,2-diol 1-phosphate C3H9O5P 156.0188 NA KEGG NA NA +C03895 Peptide-L-methionine (S)-S-oxide C6H10N2O3SR2 156.0188 NA KEGG NA NA +C03896 Protein(N-Glu, Asp, Cystine) C15H23N4O10S2R 156.0188 NA KEGG NA NA +MJ002892 4-Chloro-3,5-dimethylphenol C8H9ClO 156.034192 NA MeJP NA NA +C14715 4-Chloro-3,5-dimethylphenol C8H9ClO 156.0342 NA KEGG NA NA +C13711 Thio-THIP C6H8N2OS 156.0357 NA KEGG NA NA +CJpos0327 Deoxyribose [(M+Na)]+ C5H10NaO4 156.039275 C18rt(min)=0.97 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0328 Deoxyribose isomer [(M+Na)]+ C5H10NaO4 156.039275 C18rt(min)=2.44 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0327 Deoxyribose [(M+Na)]+ C5H10NaO4 156.039275 C18rt(min)=0.97 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0328 Deoxyribose isomer [(M+Na)]+ C5H10NaO4 156.039275 C18rt(min)=2.44 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ002893 2,3-Dihydro-2,3-dihydroxybenzoate C7H8O4 156.042258 NA MeJP NA NA +MJ002894 2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde C7H8O4 156.042258 NA MeJP NA NA +MJ002895 2-Hydroxy-6-keto-2,4-heptadienoate C7H8O4 156.042258 NA MeJP NA NA +MJ002896 3-Methyl-cis,cis-hexadienedioate C7H8O4 156.042258 NA MeJP NA NA +MJ002897 4-Carboxymethyl-4-methylbut-2-en-1,4-olide C7H8O4 156.042258 NA MeJP NA NA +MJ002898 2,5-Dihydro-2-methyl-5-oxo-2-furanacetic acid C7H8O4 156.042258 NA MeJP NA NA +MJ002899 2,5-Dihydro-2-oxo-3(5H)-furanpropanoic acid C7H8O4 156.042258 NA MeJP NA NA +MJ002900 3,4-Dihydro-4-oxo-2H-pyran-5-acetic acid C7H8O4 156.042258 NA MeJP NA NA +MJ002901 3,4-Epoxy-5-hydroxy-1-cyclohexenecarboxylic acid C7H8O4 156.042258 NA MeJP NA NA +MJ002902 4,5-Epoxy-3-hydroxy-1-cyclohexenecarboxylic acid C7H8O4 156.042258 NA MeJP NA NA +MJ002903 4-Hydroxy-6-hydroxymethyl-2H-pyran-2-one; 4-Me ether C7H8O4 156.042258 NA MeJP NA NA +MJ002904 5-Hydroxy-3-methoxy-7-oxabicyclo[4.1.0]hept-3-en-2-one C7H8O4 156.042258 NA MeJP NA NA +MJ002905 5-Methyl-1,2,3,4-benzenetetrol C7H8O4 156.042258 NA MeJP NA NA +MJ002906 Ascladiol C7H8O4 156.042258 NA MeJP NA NA +MJ002907 Epoxydon C7H8O4 156.042258 NA MeJP NA NA +MJ002908 Oxysporone C7H8O4 156.042258 NA MeJP NA NA +MJ002909 Phyllosticta Plant growth regulator C7H8O4 156.042258 NA MeJP NA NA +MJ002910 Sphaeropsidone C7H8O4 156.042258 NA MeJP NA NA +MJ002911 Terremutin C7H8O4 156.042258 NA MeJP NA NA +MetaCyc01101 2,3-dihydro-2,3-dihydroxybenzoate [2,3-Dihydroxy-2,3-dihydrobenzoate;] C7H8O4 156.042259 NA metacyc NA NA +MetaCyc01102 1,2-dihydroxycyclohexa-3,5-diene-1-carboxylate [] C7H8O4 156.042259 NA metacyc NA NA +MetaCyc01103 1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate [] C7H8O4 156.042259 NA metacyc NA NA +MetaCyc01104 4-carboxymethyl-4-methylbut-2-en-1,4-olide [4-Methylmuconolactone;] C7H8O4 156.042259 NA metacyc NA NA +MetaCyc01105 4-carboxymethyl-3-methylbut-2-en-1,4-olide [3-Methylmuconolactone;] C7H8O4 156.042259 NA metacyc NA NA +MetaCyc01106 cis,cis-2-hydroxy-6-oxohepta-2,4-dienoate [] C7H8O4 156.042259 7244-95-3 metacyc NA NA +MetaCyc01107 cis-1,2-dihydroxybenzoate [1,2-cis-dihydroxybenzoate;cis-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylate;] C7H8O4 156.042259 100459-00-5 metacyc NA NA +C04112 3-Methyl-cis,cis-hexadienedioate C7H8O4 156.0423 NA KEGG NA NA +C04171 (2S,3S)-2,3-Dihydro-2,3-dihydroxybenzoate C7H8O4 156.0423 NA KEGG NA NA +C04558 4-Carboxymethyl-3-methylbut-2-en-1,4-olide C7H8O4 156.0423 NA KEGG NA NA +C04559 4-Carboxymethyl-4-methylbut-2-en-1,4-olide C7H8O4 156.0423 NA KEGG NA NA +C04634 1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate C7H8O4 156.0423 NA KEGG NA NA +C04635 1-(1-Alkenyl)-sn-glycero-3-phosphoethanolamine C7H15NO6PR 156.0423 NA KEGG NA NA +C04636 1-Acyl-2-linoleoyl-sn-glycero-3-phosphocholine C27H50NO8PR 156.0423 NA KEGG NA NA +C04637 1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate C11H19O19P3R2 156.0423 NA KEGG NA NA +C06210 2-Hydroxy-6-keto-2,4-heptadienoate C7H8O4 156.0423 NA KEGG NA NA +C06321 1,6-Dihydroxy-cis-2,4-cyclohexadiene-1-carboxylic acid C7H8O4 156.0423 NA KEGG NA NA +C06760 2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde C7H8O4 156.0423 NA KEGG NA NA +3388 ACE inhibitor MY 156.0517 MH2+ Inhouse_peptide NA peptide +8090 peptide derived from sardine muscle MY 156.0517 MH2+ Inhouse_peptide NA peptide +CJpos0329 Imidazolelactic acid isomers [(M+H)]+ C6H9N2O3 156.052975 C18rt(min)=0.95 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0329 Imidazolelactic acid isomers [(M+H)]+ C6H9N2O3 156.052975 C18rt(min)=0.95 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ002912 4-Imidazolone-5-propanoate C6H8N2O3 156.053492 NA MeJP NA NA +MJ002913 Imidazole lactate C6H8N2O3 156.053492 NA MeJP NA NA +MJ002914 2-Hydroxy-3-(4-imidazolyl)propanoic acid C6H8N2O3 156.053492 NA MeJP NA NA +MJ002915 5-Amino-2-hexynedioic acid; 1-Monoamide C6H8N2O3 156.053492 NA MeJP NA NA +MetaCyc01108 imidazole-lactate [(S)-3-(imidazol-5-yl)-lactate;imidazol-5-yl-lactate;] C6H8N2O3 156.053492 NA metacyc NA NA +MetaCyc01109 4-imidazolone-5-propionate [4-imidazolone-5-propanoate;4-imidazolone-5-propionic acid;4,5-dihydro-4-oxo-5-imidazolepropanoate;imidazolone propionic acid;imidazolonepropanoate;imidazolone propionate;(S)-3-(5-oxo-4,5-dihydro-3H-imidazol-4-yl)propanoate;3-(5-oxo-4,5-dihydro-3H-imidazol-4-yl)propanoate;] C6H8N2O3 156.053492 17340-16-8 metacyc NA NA +HMDB00544 5-Hydroxymethyl-4-methyluracil C6H8N2O3 156.053497 NA HMDB2010 NA NA +HMDB01014 4-Imidazolone-5-propionic acid C6H8N2O3 156.053497 NA HMDB2010 NA NA +HMDB02320 Imidazolelactic acid C6H8N2O3 156.053497 NA HMDB2010 NA NA +HMDB02320 Imidazolelactic acid C6H8N2O3 156.0535 http://www.hmdb.ca/metabolites/HMDB02320 PFEM_hmdb_metabocards_urine NA urine +HMDB02320 Imidazolelactic acid C6H8N2O3 156.0535 http://www.hmdb.ca/metabolites/HMDB02320 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02320 Imidazolelactic acid C6H8N2O3 156.0535 http://www.hmdb.ca/metabolites/HMDB02320 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00544 5-Hydroxymethyl-4-methyluracil C6H8N2O3 156.0535 http://www.hmdb.ca/metabolites/HMDB00544 HMDB NA NA +HMDB01014 4-Imidazolone-5-propionic acid C6H8N2O3 156.0535 http://www.hmdb.ca/metabolites/HMDB01014 HMDB NA NA +HMDB02320 Imidazolelactic acid C6H8N2O3 156.0535 http://www.hmdb.ca/metabolites/HMDB02320 HMDB NA NA +C03680 4-Imidazolone-5-propanoate C6H8N2O3 156.0535 NA KEGG NA NA +C03817 (S)-3-(Imidazol-5-yl)lactate C6H8N2O3 156.0535 NA KEGG NA NA +C03819 1-Acylglycerophosphoinositol C10H18O12PR 156.0535 NA KEGG NA NA +C03820 1-Alkyl-2-acetyl-sn-glycerol C5H9O4R 156.0535 NA KEGG NA NA +C05568 Imidazole lactate C6H8N2O3 156.0535 NA KEGG NA NA +HMDB00544 5-Hydroxymethyl-4-methyluracil C6H8N2O3 156.0535 HMDB00544 PFEM_hmdb_metabocards_official NA NA +HMDB01014 4-Imidazolone-5-propionic acid C6H8N2O3 156.0535 HMDB01014 PFEM_hmdb_metabocards_official NA NA +HMDB02320 Imidazolelactic acid C6H8N2O3 156.0535 HMDB02320 PFEM_hmdb_metabocards_official NA NA +CJneg0165 Imidazolelactic acid isomers [(M-H)]- C6H7N2O3 156.054025 C18rt(min)=0.95 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0165 Imidazolelactic acid isomers [(M-H)]- C6H7N2O3 156.054025 C18rt(min)=0.95 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +C14090 1-Naphthaldehyde C11H8O 156.0575 NA KEGG NA NA +C14099 2-Naphthaldehyde C11H8O 156.0575 NA KEGG NA NA +MJ002916 5-(3-Hydroxyphenyl)-1,3-pentadiyne C11H8O 156.057514 NA MeJP NA NA +MetaCyc01110 1-naphthaldehyde [] C11H8O1 156.057515 NA metacyc NA NA +C06558 N-Ethylammelide C5H8N4O2 156.0647 NA KEGG NA NA +C11345 Triazolealanine C5H8N4O2 156.0647 NA KEGG NA NA +MJ002917 2-Amino-3-(1H-1,2,4-triazol-3-yl)propanoic acid C5H8N4O2 156.064725 NA MeJP NA NA +MetaCyc01111 N-ethylammelide [N-ethylammelide;OOET;] C5H8N4O2 156.064726 NA metacyc NA NA +C02938 3-Indoleacetonitrile C10H8N2 156.0687 NA KEGG NA NA +HMDB06524 3-Indoleacetonitrile C10H8N2 156.068741 NA HMDB2010 NA NA +MJ002918 1H-Indole-3-acetic acid; Nitrile C10H8N2 156.068748 NA MeJP NA NA +MJ002919 2,3'-Bipyridine C10H8N2 156.068748 NA MeJP NA NA +MJ002920 3-Indoleacetonitrile C10H8N2 156.068748 NA MeJP NA NA +MetaCyc01112 indole-3-acetonitrile [indole-3-ylacetonitrile;3-indoleacetonitrile;(indole-3-yl)acetonitrile;] C10H8N2 156.068748 NA metacyc NA NA +MetaCyc01113 2,2'-bipyridyl [2,2'-bipyridine;] C10H8N2 156.068748 NA metacyc NA NA +HMDB06524 3-Indoleacetonitrile C10H8N2 156.06876 http://www.hmdb.ca/metabolites/HMDB06524 HMDB NA NA +HMDB06524 3-Indoleacetonitrile C10H8N2 156.06876 HMDB06524 PFEM_hmdb_metabocards_official NA NA +CJpos0330 Histidine (and isomer) [M+H]+ (13C) C5[13]CH10O2N3 156.072275 C18rt(min)=0.83 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0330 Histidine (and isomer) [M+H]+ (13C) C5[13]CH10O2N3 156.072275 C18rt(min)=0.83 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0331 Suberic acid [(M+H)-(H2O)]+ C8H13O3 156.078075 C18rt(min)=6.46 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0331 Suberic acid [(M+H)-(H2O)]+ C8H13O3 156.078075 C18rt(min)=6.46 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ002921 5,6-Dihydro-6-(2-hydroxypropyl)-2H-pyran-2-one C8H12O3 156.078644 NA MeJP NA NA +MJ002922 5,6-Dihydroxy-3,6-dimethyl-2-cyclohexen-1-one C8H12O3 156.078644 NA MeJP NA NA +MJ002923 7-Methyl-2,6-dioxabicyclo[3.3.1]nonan-3-one C8H12O3 156.078644 NA MeJP NA NA +MJ002924 8-Hydroxy-5,6-octadienoic acid C8H12O3 156.078644 NA MeJP NA NA +MJ002925 Dihydro-5-(1-hydroxy-2-butenyl)-2(3H)-furanone C8H12O3 156.078644 NA MeJP NA NA +MJ002926 Hexahydro-3a,6(4H)-benzofurandiol, 6-Ketone C8H12O3 156.078644 NA MeJP NA NA +MJ002927 Rengyolone; 6?-Alcohol C8H12O3 156.078644 NA MeJP NA NA +MJ002928 ?-Oxo-3-cyclohexene-1-acetic acid, ?-Alcohol C8H12O3 156.078644 NA MeJP NA NA +MJ002929 Ectylurea C7H12N2O2 156.089877 NA MeJP NA NA +C14217 1,6-Dimethylnaphthalene C12H12 156.0939 NA KEGG NA NA +C14329 1,2-Dimethylnaphthalene C12H12 156.0939 NA KEGG NA NA +C14330 2,6-Dimethylnaphthalene C12H12 156.0939 NA KEGG NA NA +C14703 1,8-Dimethylnaphthalene C12H12 156.0939 NA KEGG NA NA +MJ002930 1,4-Dimethylazulene C12H12 156.0939 NA MeJP NA NA +CJpos0332 N-Acetylleucine [(M+H)-(H2O)]+ (13C) C713CH14NO2 156.097475 C18rt(min)=6.23 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0332 N-Acetylleucine [(M+H)-(H2O)]+ (13C) C713CH14NO2 156.097475 C18rt(min)=6.23 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +EUR006 4-hydroxynonenal C9H16O2 156.115 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR006 4-hydroxynonenal C9H16O2 156.115 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR006 4-hydroxynonenal C9H16O2 156.115 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR006 4-hydroxynonenal C9H16O2 156.115 Wishlist Inhousejuil11 NA NA +C02445 Nonane-4,6-dione C9H16O2 156.115 NA KEGG NA NA +C02446 O-Alkylglycerone C3H5O3R 156.115 NA KEGG NA NA +C02447 O-Methylated RNA C16H22N4O11PR 156.115 NA KEGG NA NA +C08471 Chalcogran C9H16O2 156.115 NA KEGG NA NA +C08501 gamma-Nonalactone C9H16O2 156.115 NA KEGG NA NA +MJ002931 (Tetrahydro-4-methyl-2H-pyran-2-yl)-2-propanone C9H16O2 156.115029 NA MeJP NA NA +MJ002932 1,3-Dimethyl-2,9-dioxabicyclo[3.3.1]nonane C9H16O2 156.115029 NA MeJP NA NA +MJ002933 1,7-Dioxaspiro[5.5]undecane C9H16O2 156.115029 NA MeJP NA NA +MJ002934 2,6-Dimethyl-5-heptenal, 1-Carboxylic acid C9H16O2 156.115029 NA MeJP NA NA +MJ002935 2-Ethyl-1,6-dioxaspiro[4.4]nonane C9H16O2 156.115029 NA MeJP NA NA +MJ002936 2-Hepten-1-ol; Ac C9H16O2 156.115029 NA MeJP NA NA +MJ002937 2-Hydroxy-2,6,6-trimethylcyclohexanone C9H16O2 156.115029 NA MeJP NA NA +MJ002938 2-Methyl-1,6-dioxaspiro[4.5]decane C9H16O2 156.115029 NA MeJP NA NA +MJ002939 2-Nonenoic acid C9H16O2 156.115029 NA MeJP NA NA +MJ002940 3,6-Dimethyl-2,4-heptanedione C9H16O2 156.115029 NA MeJP NA NA +MJ002941 3-(2-Hydroxypropyl)cyclohexanone C9H16O2 156.115029 NA MeJP NA NA +MJ002942 3-Nonenoic acid C9H16O2 156.115029 NA MeJP NA NA +MJ002943 4,5,7-Trimethyl-6,8-dioxabicyclo[3.2.1]octane C9H16O2 156.115029 NA MeJP NA NA +MJ002944 4-Hydroxy-2-nonenal C9H16O2 156.115029 NA MeJP NA NA +MJ002945 4-Octenoic acid, Me ester C9H16O2 156.115029 NA MeJP NA NA +MJ002946 5-Butyldihydro-4-methyl-2(3H)-furanone C9H16O2 156.115029 NA MeJP NA NA +MJ002947 5-Ethyl-7-methyl-6,8-dioxabicyclo[3.2.1]octane C9H16O2 156.115029 NA MeJP NA NA +MJ002948 6-Ethyltetrahydro-3,5-dimethyl-2H-pyran-2-one C9H16O2 156.115029 NA MeJP NA NA +MJ002949 6-Hydroxy-4,6-dimethyl-3-hepten-2-one C9H16O2 156.115029 NA MeJP NA NA +MJ002950 7-Methyl-1,6-dioxaspiro[4.5]decane C9H16O2 156.115029 NA MeJP NA NA +MJ002951 Brevicomin C9H16O2 156.115029 NA MeJP NA NA +MJ002952 Dihydro-5-pentyl-2(3H)-furanone C9H16O2 156.115029 NA MeJP NA NA +MJ002953 Hexanoic acid; 2-Propenyl ester C9H16O2 156.115029 NA MeJP NA NA +EUR006 4-hydroxynonenal C9H16O2 156.11503 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR006 4-hydroxynonenal C9H16O2 156.11503 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR006 4-hydroxynonenal C9H16O2 156.11503 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR006 4-hydroxynonenal C9H16O2 156.11503 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR006 4-hydroxynonenal C9H16O2 156.11503 Wishlist HMDB NA NA +EUR006 4-hydroxynonenal C9H16O2 156.11503 Wishlist Inhouse_PFEM NA NA +MetaCyc01114 nonane-4,6-dione [] C9H16O2 156.11503 NA metacyc NA NA +EUR006 4-hydroxynonenal C9H16O2 156.11503 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR006 4-hydroxynonenal C9H16O2 156.11503 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB04362 4-Hydroxynonenal C9H16O2 156.115036 NA HMDB2010 NA NA +HMDB04362 4-Hydroxynonenal C9H16O2 156.11504 http://www.hmdb.ca/metabolites/HMDB04362 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04362 4-Hydroxynonenal C9H16O2 156.11504 http://www.hmdb.ca/metabolites/HMDB04362 HMDB NA NA +HMDB04362 4-Hydroxynonenal C9H16O2 156.11504 http://www.hmdb.ca/metabolites/HMDB04362 PFEM_hmdb_metabocards_blood NA blood +HMDB04362 4-Hydroxynonenal C9H16O2 156.11504 HMDB04362 PFEM_hmdb_metabocards_official NA NA +C00400 (-)-Menthol C10H20O 156.1514 NA KEGG NA NA +C00401 Chondroitin C10H20O 156.1514 NA KEGG NA NA +C00553 (+)-Neomenthol C10H20O 156.1514 NA KEGG NA NA +C09849 beta-Citronellol C10H20O 156.1514 NA KEGG NA NA +C11386 (-)-Citronellol C10H20O 156.1514 NA KEGG NA NA +C12307 Decanal C10H20O 156.1514 NA KEGG NA NA +HMDB03352 Menthol C10H20O 156.15141 http://www.hmdb.ca/metabolites/HMDB03352 HMDB NA NA +HMDB03352 Menthol C10H20O 156.15141 HMDB03352 PFEM_hmdb_metabocards_official NA NA +HMDB03352 Menthol C10H20O 156.151413 NA HMDB2010 NA NA +HMDB11623 Decanal C10H20O 156.151413 NA HMDB2010 NA NA +MJ002954 1-Cyclohexyl-2-methyl-1-propanol C10H20O 156.151415 NA MeJP NA NA +MJ002955 2,3,6-Trimethyl-5-hepten-1-ol C10H20O 156.151415 NA MeJP NA NA +MJ002956 2-Decanone C10H20O 156.151415 NA MeJP NA NA +MJ002957 3,7-Dimethyl-6-octen-1-ol C10H20O 156.151415 NA MeJP NA NA +MJ002958 3,7-Dimethyl-6-octen-2-ol C10H20O 156.151415 NA MeJP NA NA +MJ002959 3-Decen-1-ol C10H20O 156.151415 NA MeJP NA NA +MJ002960 4-Decanone C10H20O 156.151415 NA MeJP NA NA +MJ002961 4-Methyl-5-nonanone C10H20O 156.151415 NA MeJP NA NA +MJ002962 5-Decen-1-ol C10H20O 156.151415 NA MeJP NA NA +MJ002963 6-Methyl-3-nonanone C10H20O 156.151415 NA MeJP NA NA +MJ002964 7-Methyl-3-methylene-1-octanol C10H20O 156.151415 NA MeJP NA NA +MJ002965 Decanal C10H20O 156.151415 NA MeJP NA NA +MJ002966 p-Menthan-1-ol C10H20O 156.151415 NA MeJP NA NA +MJ002967 p-Menthan-2-ol C10H20O 156.151415 NA MeJP NA NA +MJ002968 p-Menthan-3-ol C10H20O 156.151415 NA MeJP NA NA +MJ002969 p-Menthan-4-ol C10H20O 156.151415 NA MeJP NA NA +MJ002970 p-Menthan-7-ol C10H20O 156.151415 NA MeJP NA NA +MJ002971 p-Menthan-8-ol C10H20O 156.151415 NA MeJP NA NA +MJ002972 p-Menthan-9-ol C10H20O 156.151415 NA MeJP NA NA +MetaCyc01115 (+)-neoisomenthol [] C10H20O1 156.151415 NA metacyc NA NA +MetaCyc01116 (+)-isomenthol [] C10H20O1 156.151415 NA metacyc NA NA +MetaCyc01117 (+)-neomenthol [] C10H20O1 156.151415 NA metacyc NA NA +MetaCyc01118 (-)-menthol [] C10H20O1 156.151415 2216-51-5 metacyc NA NA +MJ002973 1,4-Butanediamine; N-(3-Methyl-2-butenyl) C9H20N2 156.162648 NA MeJP NA NA +MJ002974 2-Methyldecane C11H24 156.1878 NA MeJP NA NA +MJ002975 3-Methyldecane C11H24 156.1878 NA MeJP NA NA +MJ002976 4-Methyldecane C11H24 156.1878 NA MeJP NA NA +MJ002977 5-Methyldecane C11H24 156.1878 NA MeJP NA NA +MJ002978 Undecane C11H24 156.1878 NA MeJP NA NA +MJ002979 Chromium(III) chloride (CrCl3) Cl3Cr 156.84707 NA MeJP NA NA +MJ002980 Cysteaminesulfonic acid C2H7NO3S2 156.986734 NA MeJP NA NA +C14407 2-Chloronitrobenzene C6H4ClNO2 156.9931 NA KEGG NA NA +C14456 4-Chloronitrobenzene C6H4ClNO2 156.9931 NA KEGG NA NA +JH033 Homocysteine [M+Na]+ NA 156.9949 1.28 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH033 Homocysteine [M+Na]+ NA 156.9949 1.28 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH033 Homocysteine [M+Na]+ NA 156.9949 1.28 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH033 Homocysteine [M+Na]+ NA 156.9949 1.28 Inhousejuil11 NA NA +MetaCyc01119 cysteamine S-phosphate [ethanethiol, 2-amino-, S-ester with phosphorothioic acid;phosphocysteamine;2-aminoethanethiol dihydrogen phosphate (ester);cysteamine S-phosphate;s-(2-aminoethyl) phosphorothioate;phosphorothioic acid, s-(2-aminoethyl) ester;ethanethiol, 2-amino-, dihydrogen phosphate (ester);] C2H8N1O3P1S1 156.99625 NA metacyc NA NA +MJ002981 Oteracil C4H3N3O4 157.012355 NA MeJP NA NA +MJ002982 1,5-Dihydro-4H-furo[3,4-d][1,3]thiazin-7(2H)-one C6H7NO2S 157.019749 NA MeJP NA NA +CJpos0333 N-Acetylaspartic acid [(M+H)-(H2O)]+ C6H8NO4 157.036975 C18rt(min)=1.04 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0333 N-Acetylaspartic acid [(M+H)-(H2O)]+ C6H8NO4 157.036975 C18rt(min)=1.04 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C02220 2-Aminomuconate C6H7NO4 157.0375 NA KEGG NA NA +C14293 5-Nitro-2-furfuryl methyl ether C6H7NO4 157.0375 NA KEGG NA NA +C17358 Clavam-2-carboxylate C6H7NO4 157.0375 NA KEGG NA NA +HMDB01241 2-Aminomuconic acid C6H7NO4 157.037506 NA HMDB2010 NA NA +MJ002983 2-Aminomuconate C6H7NO4 157.037507 NA MeJP NA NA +MJ002984 2-(Hydroxymethyl)-5-nitrofuran; Me ether C6H7NO4 157.037507 NA MeJP NA NA +MJ002985 2-Oxo-4-methylenepentanedioic acid; 5-Amide C6H7NO4 157.037507 NA MeJP NA NA +MJ002986 5-Oxo-2(5H)-isoxazolepropanoic acid C6H7NO4 157.037507 NA MeJP NA NA +MJ002987 7-Oxo-4-oxa-1-azabicyclo[3.2.0]heptane-3-carboxylic acid C6H7NO4 157.037507 NA MeJP NA NA +MetaCyc01120 4-methylene-L-glutamate [] C6H7N1O4 157.037508 NA metacyc NA NA +MetaCyc01121 2-amino-muconate [2-Aminomuconate;] C6H7N1O4 157.037508 NA metacyc NA NA +HMDB01241 2-Aminomuconic acid C6H7NO4 157.03751 http://www.hmdb.ca/metabolites/HMDB01241 HMDB NA NA +HMDB01241 2-Aminomuconic acid C6H7NO4 157.03751 HMDB01241 PFEM_hmdb_metabocards_official NA NA +MetaCyc01122 cycocel [cyclocel;antywylegacz;chlormequat;] C5H13N1CL2 157.042505 NA metacyc NA NA +MJ002988 4-Quinolinecarboxaldehyde C10H7NO 157.052763 NA MeJP NA NA +C14788 1-Nitrosonaphthalene C10H7NO 157.0528 NA KEGG NA NA +CJneg0166 Imidazolelactic acid isomers [(M-H)]- (13C) C513CH7N2O3 157.057425 C18rt(min)=0.95 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0166 Imidazolelactic acid isomers [(M-H)]- (13C) C513CH7N2O3 157.057425 C18rt(min)=0.95 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ002989 Amthamine C6H11N3S 157.067368 NA MeJP NA NA +CJpos0334 3-Methylcrotonylglycine [(M+H)]+ C7H12NO3 157.073375 C18rt(min)=5.2 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0335 Asp-Leu Asp-Ile [(M+H)-(C3H7O2N)]+ C7H12NO3 157.073375 C18rt(min)=5.15 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0336 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)-(HCOOH)]+ C7H12NO3 157.073375 C18rt(min)=5.1 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0337 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)-(HCOOH)]+ C7H12NO3 157.073375 C18rt(min)=4.55 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0338 Tiglylglycine [(M+H)]+ C7H12NO3 157.073375 C18rt(min)=5.1 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0334 3-Methylcrotonylglycine [(M+H)]+ C7H12NO3 157.073375 C18rt(min)=5.2 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0335 Asp-Leu § Asp-Ile [(M+H)-(C3H7O2N)]+ C7H12NO3 157.073375 C18rt(min)=5.15 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0336 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)-(HCOOH)]+ C7H12NO3 157.073375 C18rt(min)=5.1 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0337 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)-(HCOOH)]+ C7H12NO3 157.073375 C18rt(min)=4.55 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0338 Tiglylglycine [(M+H)]+ C7H12NO3 157.073375 C18rt(min)=5.1 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +HMDB00959 Tiglylglycine C7H11NO3 157.07388 http://www.hmdb.ca/metabolites/HMDB00959 PFEM_hmdb_metabocards_urine NA urine +HMDB00959 Tiglylglycine C7H11NO3 157.07388 http://www.hmdb.ca/metabolites/HMDB00959 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00959 Tiglylglycine C7H11NO3 157.07388 http://www.hmdb.ca/metabolites/HMDB00959 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00459 3-Methylcrotonylglycine C7H11NO3 157.07388 http://www.hmdb.ca/metabolites/HMDB00459 HMDB NA NA +HMDB00894 Vinylacetylglycine C7H11NO3 157.07388 http://www.hmdb.ca/metabolites/HMDB00894 HMDB NA NA +HMDB00959 Tiglylglycine C7H11NO3 157.07388 http://www.hmdb.ca/metabolites/HMDB00959 HMDB NA NA +HMDB00459 3-Methylcrotonylglycine C7H11NO3 157.07388 HMDB00459 PFEM_hmdb_metabocards_official NA NA +HMDB00894 Vinylacetylglycine C7H11NO3 157.07388 HMDB00894 PFEM_hmdb_metabocards_official NA NA +HMDB00959 Tiglylglycine C7H11NO3 157.07388 HMDB00959 PFEM_hmdb_metabocards_official NA NA +MJ002990 2-Amino-4-hydroxy-3-methylbutanoic acid, Lactone, N-Ac C7H11NO3 157.073893 NA MeJP NA NA +MJ002991 2-Amino-4-hydroxy-6-heptynoic acid C7H11NO3 157.073893 NA MeJP NA NA +MJ002992 2-Amino-4-hydroxymethyl-5-hexynoic acid C7H11NO3 157.073893 NA MeJP NA NA +MJ002993 3-(2-Hydroxyethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one C7H11NO3 157.073893 NA MeJP NA NA +MJ002994 Ethadione C7H11NO3 157.073893 NA MeJP NA NA +MJ002995 Furanomycin C7H11NO3 157.073893 NA MeJP NA NA +MJ002996 Paramethadione C7H11NO3 157.073893 NA MeJP NA NA +HMDB00459 3-Methylcrotonylglycine C7H11NO3 157.073898 NA HMDB2010 NA NA +HMDB00959 Tiglylglycine C7H11NO3 157.073898 NA HMDB2010 NA NA +C07411 Paramethadione C7H11NO3 157.0739 NA KEGG NA NA +C17361 2-Hydroxyethylclavam C7H11NO3 157.0739 NA KEGG NA NA +C17724 Ethadione C7H11NO3 157.0739 NA KEGG NA NA +CJneg0167 Tiglylglycine [(M-H)]- C7H10NO3 157.074425 C18rt(min)=5.1 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0168 3-Methylcrotonylglycine [(M-H)]- C7H10NO3 157.074425 C18rt(min)=5.2 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0167 Tiglylglycine [(M-H)]- C7H10NO3 157.074425 C18rt(min)=5.1 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0168 3-Methylcrotonylglycine [(M-H)]- C7H10NO3 157.074425 C18rt(min)=5.2 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0339 5,6-Dihydrouracil [(2M+H)-(C2HNO2)]+ C6H12N3O2 157.084575 C18rt(min)=1.1 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0339 5,6-Dihydrouracil [(2M+H)-(C2HNO2)]+ C6H12N3O2 157.084575 C18rt(min)=1.1 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +JH083 Arginine [M+H-NH3]+ NA 157.08514 1.13 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH083 Arginine [M+H-NH3]+ NA 157.08514 1.13 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH083 Arginine [M+H-NH3]+ NA 157.08514 1.13 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH083 Arginine [M+H-NH3]+ NA 157.08514 1.13 Inhousejuil11 NA NA +MJ002997 3-Methyl-4-phenyl-1H-pyrrole C11H11N 157.089149 NA MeJP NA NA +MJ002998 1-Hydroxy-1-hydroxymethylpyrrolizidine C8H15NO2 157.110278 NA MeJP NA NA +MJ002999 2-Pyrrolidineacetic acid, N-Me, Me ester C8H15NO2 157.110278 NA MeJP NA NA +MJ003000 3-Aminopropanal; N-(3-Methylbutanoyl) C8H15NO2 157.110278 NA MeJP NA NA +MJ003001 4-(Aminomethyl)cyclohexanecarboxylic acid C8H15NO2 157.110278 NA MeJP NA NA +MJ003002 8-Azabicyclo[3.2.1]octane-2,6-diol, N-Me C8H15NO2 157.110278 NA MeJP NA NA +MJ003003 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol C8H15NO2 157.110278 NA MeJP NA NA +MJ003004 Homostachydrine C8H15NO2 157.110278 NA MeJP NA NA +MJ003005 Octahydro-1,2-indolizinediol C8H15NO2 157.110278 NA MeJP NA NA +MJ003006 Oxanamide C8H15NO2 157.110278 NA MeJP NA NA +C08283 Homostachydrine C8H15NO2 157.1103 NA KEGG NA NA +C10155 Lentiginosine C8H15NO2 157.1103 NA KEGG NA NA +C07674 Buformin C6H15N5 157.1327 NA KEGG NA NA +MJ003007 1-Butylbiguanide C6H15N5 157.132745 NA MeJP NA NA +MJ003008 2-(2-Hydroxybutyl)piperidine C9H19NO 157.146664 NA MeJP NA NA +MJ003009 2-(2-Hydroxypropyl)-6-methylpiperidine C9H19NO 157.146664 NA MeJP NA NA +MJ003010 4-Hydroxy-2-methyl-6-propylpiperidine C9H19NO 157.146664 NA MeJP NA NA +MJ003011 6-Propyl-3-piperidinol, N-Me C9H19NO 157.146664 NA MeJP NA NA +MJ003012 4-Propyl-4-heptylamine C10H23N 157.183049 NA MeJP NA NA +3541 ACE inhibitor LSP 157.584 MH2+ Inhouse_peptide NA peptide +8318 Dvl protein binding VVV 157.602 MH2+ Inhouse_peptide NA peptide +HMDB00651 Decanoylcarnitine C17H33NO4 157.6204835 MH2+ Inhouse_peptide NA peptide +MJ003013 Strontium chloride (SrCl2) Cl2Sr 157.843319 NA MeJP NA NA +MJ003014 Potassium permanganate KMnO4 157.881414 NA MeJP NA NA +MJ003015 Tin fluoride (SnF2) F2Sn 157.899002 NA MeJP NA NA +MJ003016 Sodium thiosulfate Na2O3S2 157.908424 NA MeJP NA NA +MJ003017 2-Bromo-1-chloroethanol C2H4BrClO 157.913405 NA MeJP NA NA +MJ003018 Dimethyl tetrasulfide C2H6S4 157.935232 NA MeJP NA NA +MetaCyc01123 benzenesulfonate [benzenesulfonic acid;BS;] C6H6O3S1 158.003765 NA metacyc NA NA +MJ003019 2-Chloro-5-methyl-1,3-benzenediol C7H7ClO2 158.013457 NA MeJP NA NA +MJ003020 4-Chloro-5-methyl-1,3-benzenediol C7H7ClO2 158.013457 NA MeJP NA NA +C03591 5-Chloro-3-methylcatechol C7H7ClO2 158.0135 NA KEGG NA NA +MJ003021 2-(Aminomethyl)-4-thiazolecarboxylic acid C5H6N2O2S 158.014998 NA MeJP NA NA +MJ003022 5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione C5H6N2O2S 158.014998 NA MeJP NA NA +C02222 2-Maleylacetate C6H6O5 158.0215 NA KEGG NA NA +C02501 2-Hydroxymuconate C6H6O5 158.0215 NA KEGG NA NA +C03453 (Z)-5-Oxohex-2-enedioate C6H6O5 158.0215 NA KEGG NA NA +C03454 1-Alkenyl-2-acylglycerol C6H8O4R2 158.0215 NA KEGG NA NA +C03676 3-Hydroxy-cis,cis-muconate C6H6O5 158.0215 NA KEGG NA NA +C06035 4-Methylene-2-oxoglutarate C6H6O5 158.0215 NA KEGG NA NA +C06036 Trigalactosyl-diacylglycerol C23H36O20R2 158.0215 NA KEGG NA NA +C06037 Digalactosyl-diacylglycerol C17H26O15R2 158.0215 NA KEGG NA NA +C06038 Acyl1-monogalactosyl-diacylglycerol C12H15O11R3 158.0215 NA KEGG NA NA +C06040 Diglucosyl-diacylglycerol C17H26O15R2 158.0215 NA KEGG NA NA +C06041 Glycerophosphoglycoglycerolipid C20H33O20PR2 158.0215 NA KEGG NA NA +C06042 Lipoteichoic acid C92H201O140P25R2 158.0215 NA KEGG NA NA +C06043 D-Alanyl-lipoteichoic acid C167H326N25O165P25R2 158.0215 NA KEGG NA NA +MJ003023 3-Hydroxy-cis,cis-muconate C6H6O5 158.021523 NA MeJP NA NA +MJ003024 (Z)-5-Oxohex-2-enedioate C6H6O5 158.021523 NA MeJP NA NA +MJ003025 2-Hydroxymuconate C6H6O5 158.021523 NA MeJP NA NA +MJ003026 2-Maleylacetate C6H6O5 158.021523 NA MeJP NA NA +MJ003027 4-Carboxy-2-oxo-4-pentanoate C6H6O5 158.021523 NA MeJP NA NA +MJ003028 4-Methylene-2-oxoglutarate C6H6O5 158.021523 NA MeJP NA NA +MJ003029 2-Methylene-4-oxopentanedioic acid C6H6O5 158.021523 NA MeJP NA NA +MJ003030 2-Oxo-4-methylenepentanedioic acid C6H6O5 158.021523 NA MeJP NA NA +MJ003031 3,5-Dihydroxy-2-hydroxymethyl-4H-pyran-4-one C6H6O5 158.021523 NA MeJP NA NA +MJ003032 Zymonic acid C6H6O5 158.021523 NA MeJP NA NA +MetaCyc01124 4-oxohex-2-enedioate [2-maleylacetate;maleylacetate;] C6H6O5 158.021523 NA metacyc NA NA +MetaCyc01125 maleylacetate [2-maleyacetate;] C6H6O5 158.021523 NA metacyc NA NA +MetaCyc01126 2-oxo-4-carboxypent-4-enoate [] C6H6O5 158.021523 NA metacyc NA NA +MetaCyc01127 2-maleylacetate [] C6H6O5 158.021523 NA metacyc NA NA +MetaCyc01128 4-oxalocrotonate [γ-oxalocrotonate;(Z)-5-oxohex-2-enedioate;] C6H6O5 158.021523 NA metacyc NA NA +MetaCyc01129 3-HYDROXY-CIS,CIS-MUCONATE [] C6H6O5 158.021523 NA metacyc NA NA +MetaCyc01130 2-hydroxymuconate [] C6H6O5 158.021523 NA metacyc NA NA +MJ003033 Ibotenic acid C5H6N2O4 158.032756 NA MeJP NA NA +MJ003034 Muscazone C5H6N2O4 158.032756 NA MeJP NA NA +MJ003035 (S)-Dihydroorotate C5H6N2O4 158.032756 NA MeJP NA NA +MetaCyc01131 dihydroorotate [4,5-dihydroorotate;4,5-dihydroorotic acid;hydroorotic acid;(S)-dihydroorotate;di-H-orotate;L-dihydroorotate;5,6-dihydroorotate;L-4,5-dihydroorotate;4-pyrimidinecarboxylic acid;hexahydro-2,6-dioxo-;] C5H6N2O4 158.032757 155-54-4 metacyc NA NA +MetaCyc01132 L-5-carboxymethylhydantoin [] C5H6N2O4 158.032757 5427-26-9 metacyc NA NA +HMDB00528 4,5-Dihydroorotic acid C5H6N2O4 158.03276 http://www.hmdb.ca/metabolites/HMDB00528 HMDB NA NA +HMDB03349 (S)-Dihydroorotate C5H6N2O4 158.03276 http://www.hmdb.ca/metabolites/HMDB03349 HMDB NA NA +HMDB00528 4,5-Dihydroorotic acid C5H6N2O4 158.03276 HMDB00528 PFEM_hmdb_metabocards_official NA NA +HMDB03349 (S)-Dihydroorotate C5H6N2O4 158.03276 HMDB03349 PFEM_hmdb_metabocards_official NA NA +HMDB00528 4,5-Dihydroorotic acid C5H6N2O4 158.032761 NA HMDB2010 NA NA +HMDB03349 L-Dihydroorotic acid C5H6N2O4 158.032761 NA HMDB2010 NA NA +C00337 (S)-Dihydroorotate C5H6N2O4 158.0328 NA KEGG NA NA +C00338 Lipopolysaccharide C5H6N2O4 158.0328 NA KEGG NA NA +C00339 Long-chain alcohol CH3OR 158.0328 NA KEGG NA NA +C00340 Reduced rubredoxin CH3OR 158.0328 NA KEGG NA NA +C03703 L-5-Carboxymethylhydantoin C5H6N2O4 158.0328 NA KEGG NA NA +C03706 Lysosomal-enzyme D-mannose C6H11O6R 158.0328 NA KEGG NA NA +C03707 Monoterpenol acetate ester C2H3O2R 158.0328 NA KEGG NA NA +C03708 N-Acetyl-O-acetylneuraminate C2H3O2R 158.0328 NA KEGG NA NA +C10600 Ibotenic acid C5H6N2O4 158.0328 NA KEGG NA NA +CJneg0169 Erithrol (and isomers) [(M+Cl)]- C4H10ClO4 158.035125 C18rt(min)=0.91 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0169 Erithrol (and isomers) [(M+Cl)]- C4H10ClO4 158.035125 C18rt(min)=0.91 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ003036 1-Decene-4,6,8-triyn-3-one; 1?,2?-Epoxide C10H6O2 158.036779 NA MeJP NA NA +MJ003037 10-Hydroxy-8-decene-2,4,6-triynal C10H6O2 158.036779 NA MeJP NA NA +MJ003038 2-Decene-4,6,8-triynoic acid C10H6O2 158.036779 NA MeJP NA NA +MJ003039 2-Nonene-4,6,8-triynoic acid, Me ester C10H6O2 158.036779 NA MeJP NA NA +MJ003040 5-(2,4-Hexadiynylidene)-2(5H)-furanone C10H6O2 158.036779 NA MeJP NA NA +MetaCyc01133 1,2-naphthoquinone [] C10H6O2 158.036779 NA metacyc NA NA +C02617 1,4-Naphthoquinone C10H6O2 158.0368 NA KEGG NA NA +C14783 1,2-Naphthoquinone C10H6O2 158.0368 NA KEGG NA NA +JH050 Allantoin C4H6N4O3 158.0423 Rtobs1.37 PFEM_hmdb_metabocards_urine NA urine +JH050 Allantoin [M+H]+ C4H6N4O3 158.0423 1.37 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH050 Allantoin C4H6N4O3 158.0423 Rtobs1.37 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH050 Allantoin [M+H]+ C4H6N4O3 158.0423 1.37 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH050 Allantoin C4H6N4O3 158.0423 Rtobs1.37 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH050 Allantoin [M+H]+ C4H6N4O3 158.0423 1.37 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH050 Allantoin C4H6N4O3 158.0423 Rtobs1.37 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH050 Allantoin C4H6N4O3 158.0423 Rtobs1.37 HMDB NA NA +JH050 Allantoin C4H6N4O3 158.0423 Rtobs1.37 Inhouse_PFEM NA NA +JH050 Allantoin [M+H]+ C4H6N4O3 158.0423 1.37 Inhousejuil11 NA NA +JH050 Allantoin C4H6N4O3 158.0423 Rtobs1.37 PFEM_hmdb_metabocards_blood NA blood +JH050 Allantoin C4H6N4O3 158.0423 Rtobs1.37 PFEM_hmdb_metabocards_official NA NA +HMDB00462 Allantoin C4H6N4O3 158.04399 http://www.hmdb.ca/metabolites/HMDB00462 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00462 Allantoin C4H6N4O3 158.04399 http://www.hmdb.ca/metabolites/HMDB00462 HMDB NA NA +MJ003041 Allantoin C4H6N4O3 158.04399 NA MeJP NA NA +MJ003042 (R)(-)-Allantoin C4H6N4O3 158.04399 NA MeJP NA NA +MJ003043 (S)(+)-Allantoin C4H6N4O3 158.04399 NA MeJP NA NA +MetaCyc01134 (S)(+)-allantoin [] C4H6N4O3 158.04399 NA metacyc NA NA +MetaCyc01135 (R)(-)-allantoin [] C4H6N4O3 158.04399 NA metacyc NA NA +MetaCyc01136 allantoin [] C4H6N4O3 158.04399 97-59-6 metacyc NA NA +HMDB00462 Allantoin C4H6N4O3 158.04399 http://www.hmdb.ca/metabolites/HMDB00462 PFEM_hmdb_metabocards_blood NA blood +HMDB00462 Allantoin C4H6N4O3 158.04399 HMDB00462 PFEM_hmdb_metabocards_official NA NA +HMDB00462 Allantoin C4H6N4O3 158.043991 NA HMDB2010 NA NA +C01551 Allantoin C4H6N4O3 158.044 NA KEGG NA NA +C02348 (R)(-)-Allantoin C4H6N4O3 158.044 NA KEGG NA NA +C02350 (S)(+)-Allantoin C4H6N4O3 158.044 NA KEGG NA NA +C02631 2-Isopropylmaleate C7H10O4 158.0579 NA KEGG NA NA +C04670 (1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate C7H10O4 158.0579 NA KEGG NA NA +C04815 5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one C7H10O4 158.0579 NA KEGG NA NA +C04816 Dephospho-[[hydroxymethylglutaryl-CoA reductase (NADPH)]kinase] C7H10O4 158.0579 NA KEGG NA NA +C04817 Protein alpha-D-glucosyl-1,2-beta-D-galactosyl-L-hydroxylysine C19H33N3O13R2 158.0579 NA KEGG NA NA +C04818 beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminylglycopeptide C14H24NO11R 158.0579 NA KEGG NA NA +C05126 Dimethyl citraconate C7H10O4 158.0579 NA KEGG NA NA +HMDB00635 Succinylacetone C7H10O4 158.057907 NA HMDB2010 NA NA +HMDB12241 Isopropylmaleate C7H10O4 158.057907 NA HMDB2010 NA NA +MJ003044 2-Isopropylmaleate C7H10O4 158.057908 NA MeJP NA NA +MJ003045 2,5,6-Trihydroxy-3-methyl-2-cyclohexen-1-one C7H10O4 158.057908 NA MeJP NA NA +MJ003046 2-Ethyl-3-methyl-2-butenedioic acid C7H10O4 158.057908 NA MeJP NA NA +MJ003047 3,4,6-Trihydroxy-2-methyl-2-cyclohexen-1-one C7H10O4 158.057908 NA MeJP NA NA +MJ003048 4,5,6-Trihydroxy-2-methyl-2-cyclohexen-1-one C7H10O4 158.057908 NA MeJP NA NA +MJ003049 4,5,6-Trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-one, 1'-Deoxy C7H10O4 158.057908 NA MeJP NA NA +MJ003050 4,5-Dihydroxy-4-(1-hydroxyethyl)-2-cyclopenten-1-one C7H10O4 158.057908 NA MeJP NA NA +MJ003051 Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methyl-2(3H)-furanone, 1'-Ketone C7H10O4 158.057908 NA MeJP NA NA +MetaCyc01137 5-D-(5/6)-5-C-(hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one [] C7H10O4 158.057909 NA metacyc NA NA +MetaCyc01138 dimethyl-citraconate [] C7H10O4 158.057909 617-54-9 metacyc NA NA +MetaCyc01139 (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate [] C7H10O4 158.057909 NA metacyc NA NA +HMDB00635 Succinylacetone C7H10O4 158.05791 http://www.hmdb.ca/metabolites/HMDB00635 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00555 3-Methyladipic acid C7H10O4 158.05791 http://www.hmdb.ca/metabolites/HMDB00555 HMDB NA NA +HMDB00635 Succinylacetone C7H10O4 158.05791 http://www.hmdb.ca/metabolites/HMDB00635 HMDB NA NA +HMDB00635 Succinylacetone C7H10O4 158.05791 http://www.hmdb.ca/metabolites/HMDB00635 PFEM_hmdb_metabocards_blood NA blood +HMDB00555 3-Methyladipic acid C7H10O4 158.05791 HMDB00555 PFEM_hmdb_metabocards_official NA NA +HMDB00635 Succinylacetone C7H10O4 158.05791 HMDB00635 PFEM_hmdb_metabocards_official NA NA +CJneg0170 2-isopropylmalic acid [(M-H)-(H2O)]- C7H9O4 158.058425 C18rt(min)=5.52 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0170 2-isopropylmalic acid [(M-H)-(H2O)]- C7H9O4 158.058425 C18rt(min)=5.52 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +JH086 Citrulline (L-) [M+H-NH3]+ NA 158.0674 1.22 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH086 Citrulline (L-) [M+H-NH3]+ NA 158.0674 1.22 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH086 Citrulline (L-) [M+H-NH3]+ NA 158.0674 1.22 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH086 Citrulline (L-) [M+H-NH3]+ NA 158.0674 1.22 Inhousejuil11 NA NA +C01109 4-Methylene-L-glutamine C6H10N2O3 158.0691 NA KEGG NA NA +C16432 5-Hydroxyectoine C6H10N2O3 158.0691 NA KEGG NA NA +MJ003052 1,4,5,6-Tetrahydro-5-hydroxy-2-methyl-4(6)-pyrimidinecarboxylic acid C6H10N2O3 158.069142 NA MeJP NA NA +MJ003053 2-Amino-4-methylenepentanedioic acid, ?-Amide C6H10N2O3 158.069142 NA MeJP NA NA +MJ003054 Oxiracetam C6H10N2O3 158.069142 NA MeJP NA NA +MJ003055 Pyrostatin A C6H10N2O3 158.069142 NA MeJP NA NA +MJ003056 4-Methylene-L-glutamine C6H10N2O3 158.069142 NA MeJP NA NA +MetaCyc01140 4-methylene-L-glutamine [] C6H10N2O3 158.069142 NA metacyc NA NA +C02909 (2-Naphthyl)methanol C11H10O 158.0732 NA KEGG NA NA +C14089 1-Hydroxymethylnaphthalene C11H10O 158.0732 NA KEGG NA NA +EUR386 Oestradiol F3 F3 158.073975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR386 Oestradiol F3 NA 158.073975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR386 Oestradiol F3 F3 158.073975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR386 Oestradiol F3 NA 158.073975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR386 Oestradiol F3 F3 158.073975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR386 Oestradiol F3 NA 158.073975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR386 Oestradiol F3 F3 158.073975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR386 Oestradiol F3 F3 158.073975 standards wishlist analysés sur QTOF HMDB NA NA +EUR386 Oestradiol F3 F3 158.073975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR386 Oestradiol F3 NA 158.073975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR386 Oestradiol F3 F3 158.073975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR386 Oestradiol F3 F3 158.073975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0340 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)-(HCOOH)]+ (13C) C613CH12NO3 158.076675 C18rt(min)=5.1 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0341 3-Methylcrotonylglycine [(M+H)]+ (13C) C613CH12NO3 158.076675 C18rt(min)=5.2 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0342 Tiglylglycine [(M+H)]+ (13C) C613CH12NO3 158.076675 C18rt(min)=5.1 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0340 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)-(HCOOH)]+ (13C) C613CH12NO3 158.076675 C18rt(min)=5.1 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0341 3-Methylcrotonylglycine [(M+H)]+ (13C) C613CH12NO3 158.076675 C18rt(min)=5.2 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0342 Tiglylglycine [(M+H)]+ (13C) C613CH12NO3 158.076675 C18rt(min)=5.1 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJneg0171 Tiglylglycine [(M-H)]- (13C) C613CH10NO3 158.077825 C18rt(min)=5.1 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0171 Tiglylglycine [(M-H)]- (13C) C613CH10NO3 158.077825 C18rt(min)=5.1 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ003057 1-Methyl-4(1H)-quinolinone; Imine C10H10N2 158.084398 NA MeJP NA NA +MJ003058 2,4-Dimethylquinazoline C10H10N2 158.084398 NA MeJP NA NA +MJ003059 3-(2-Pyrrolyl)pyridine; N-Me C10H10N2 158.084398 NA MeJP NA NA +MJ003060 Imidazole; N-Benzyl C10H10N2 158.084398 NA MeJP NA NA +C10161 Nicotyrine C10H10N2 158.0844 NA KEGG NA NA +EUR362 Tryptophan F3 F3 158.084475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR362 Tryptophan F3 NA 158.084475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR362 Tryptophan F3 F3 158.084475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR362 Tryptophan F3 NA 158.084475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR362 Tryptophan F3 F3 158.084475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR362 Tryptophan F3 NA 158.084475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR362 Tryptophan F3 F3 158.084475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR362 Tryptophan F3 F3 158.084475 standards wishlist analysés sur QTOF HMDB NA NA +EUR362 Tryptophan F3 F3 158.084475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR362 Tryptophan F3 NA 158.084475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR362 Tryptophan F3 F3 158.084475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR362 Tryptophan F3 F3 158.084475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB00451 cis-4-Hydroxycyclohexylacetic acid C8H14O3 158.09428 http://www.hmdb.ca/metabolites/HMDB00451 HMDB NA NA +HMDB00909 trans-4-Hydroxycyclohexylacetic acid C8H14O3 158.09428 http://www.hmdb.ca/metabolites/HMDB00909 HMDB NA NA +HMDB00451 cis-4-Hydroxycyclohexylacetic acid C8H14O3 158.09428 HMDB00451 PFEM_hmdb_metabocards_official NA NA +HMDB00909 trans-4-Hydroxycyclohexylacetic acid C8H14O3 158.09428 HMDB00909 PFEM_hmdb_metabocards_official NA NA +MJ003061 2-Oxooctanoic acid C8H14O3 158.094294 NA MeJP NA NA +MJ003062 4-Hydroxy-4-(2-hydroxyethyl)cyclohexanone C8H14O3 158.094294 NA MeJP NA NA +MJ003063 5-Hydroxy-4-methyl-2-heptenoic acid C8H14O3 158.094294 NA MeJP NA NA +MJ003064 6-Ethyl-1-methyl-2,7,8-trioxabicyclo[3.2.1]octane C8H14O3 158.094294 NA MeJP NA NA +MJ003065 Cephalosporolide D C8H14O3 158.094294 NA MeJP NA NA +MJ003066 Hexahydro-3a,6(4H)-benzofurandiol C8H14O3 158.094294 NA MeJP NA NA +MJ003067 Rengyoxide C8H14O3 158.094294 NA MeJP NA NA +MJ003068 Tetrahydro-6-methyl-2H-pyran-2-acetic acid C8H14O3 158.094294 NA MeJP NA NA +MetaCyc01141 ethyl-3-oxohexanoate [] C8H14O3 158.094294 3249-68-1 metacyc NA NA +HMDB00451 cis-4-Hydroxycyclohexylacetic acid C8H14O3 158.094299 NA HMDB2010 NA NA +HMDB00909 trans-4-Hydroxycyclohexylacetic acid C8H14O3 158.094299 NA HMDB2010 NA NA +HMDB10721 3-Oxooctanoic acid C8H14O3 158.094299 NA HMDB2010 NA NA +HMDB13211 alpha-Ketooctanoic acid C8H14O3 158.094299 NA HMDB2010 NA NA +C02975 Ethyl 3-oxohexanoate C8H14O3 158.0943 NA KEGG NA NA +C16652 3-Oxovalproic acid C8H14O3 158.0943 NA KEGG NA NA +C16655 2-n-Propyl-4-oxopentanoic acid C8H14O3 158.0943 NA KEGG NA NA +MJ003069 3,4-Heptanedione; Dioxime C7H14N2O2 158.105527 NA MeJP NA NA +MJ003070 1,4-Dimethylazulene; 3,3a-Dihydro C12H14 158.10955 NA MeJP NA NA +HMDB00798 Oenanthic ether C9H18O2 158.130676 NA HMDB2010 NA NA +HMDB00847 Pelargonic acid C9H18O2 158.130676 NA HMDB2010 NA NA +MJ003071 1-Heptanol; Ac C9H18O2 158.130679 NA MeJP NA NA +MJ003072 1-Hydroxy-5-nonanone C9H18O2 158.130679 NA MeJP NA NA +MJ003073 2-Ethylheptanoic acid C9H18O2 158.130679 NA MeJP NA NA +MJ003074 3-Ethyl-4-methylpentanoic acid, Me ester C9H18O2 158.130679 NA MeJP NA NA +MJ003075 3-Methyl-1-butanol; Butanoyl C9H18O2 158.130679 NA MeJP NA NA +MJ003076 6-Methyloctanoic acid C9H18O2 158.130679 NA MeJP NA NA +MJ003077 9-Hydroxy-4-nonanone C9H18O2 158.130679 NA MeJP NA NA +MJ003078 Hexanoic acid; Isopropyl ester C9H18O2 158.130679 NA MeJP NA NA +MJ003079 Nonanoic acid C9H18O2 158.130679 NA MeJP NA NA +MJ003080 Octanoic acid; Me ester C9H18O2 158.130679 NA MeJP NA NA +HMDB00798 Oenanthic ether C9H18O2 158.13068 http://www.hmdb.ca/metabolites/HMDB00798 HMDB NA NA +HMDB00847 Pelargonic acid C9H18O2 158.13068 http://www.hmdb.ca/metabolites/HMDB00847 HMDB NA NA +HMDB00798 Oenanthic ether C9H18O2 158.13068 HMDB00798 PFEM_hmdb_metabocards_official NA NA +HMDB00847 Pelargonic acid C9H18O2 158.13068 HMDB00847 PFEM_hmdb_metabocards_official NA NA +C01601 Nonanoic acid C9H18O2 158.1307 NA KEGG NA NA +MJ003081 1-Decanol C10H22O 158.167065 NA MeJP NA NA +MJ003082 3,7-Dimethyl-1-octanol C10H22O 158.167065 NA MeJP NA NA +MJ003083 4-Methyl-1-nonanol C10H22O 158.167065 NA MeJP NA NA +MJ003084 4-Methyl-5-nonanol C10H22O 158.167065 NA MeJP NA NA +HMDB11624 Decyl alcohol C10H22O 158.167068 NA HMDB2010 NA NA +C01633 1-Decanol C10H22O 158.1671 NA KEGG NA NA +C01635 tRNA(Ala) C10H17O10PR2 158.1671 NA KEGG NA NA +C01636 tRNA(Arg) C15H21N5O10PR 158.1671 NA KEGG NA NA +C01637 tRNA(Asn) C10H17O10PR2 158.1671 NA KEGG NA NA +C01638 tRNA(Asp) C10H17O10PR2 158.1671 NA KEGG NA NA +C01639 tRNA(Cys) C15H21N5O10PR 158.1671 NA KEGG NA NA +C01640 tRNA(Gln) C15H21N5O10PR 158.1671 NA KEGG NA NA +C01641 tRNA(Glu) C15H21N5O10PR 158.1671 NA KEGG NA NA +C01642 tRNA(Gly) C10H17O10PR2 158.1671 NA KEGG NA NA +C01643 tRNA(His) C10H17O10PR2 158.1671 NA KEGG NA NA +C01644 tRNA(Ile) C15H21N5O10PR 158.1671 NA KEGG NA NA +C01645 tRNA(Leu) C15H21N5O10PR 158.1671 NA KEGG NA NA +C01646 tRNA(Lys) C10H17O10PR2 158.1671 NA KEGG NA NA +C01647 tRNA(Met) C15H21N5O10PR 158.1671 NA KEGG NA NA +C01648 tRNA(Phe) C10H17O10PR2 158.1671 NA KEGG NA NA +C01649 tRNA(Pro) C10H17O10PR2 158.1671 NA KEGG NA NA +C01650 tRNA(Ser) C10H17O10PR2 158.1671 NA KEGG NA NA +C01651 tRNA(Thr) C10H17O10PR2 158.1671 NA KEGG NA NA +C01652 tRNA(Trp) C15H21N5O10PR 158.1671 NA KEGG NA NA +C01653 tRNA(Val) C15H21N5O10PR 158.1671 NA KEGG NA NA +C01654 1,6-Mannan C15H21N5O10PR 158.1671 NA KEGG NA NA +3389 ACE inhibitor from alphas1-CN LW 158.5815 MH2+ Inhouse_peptide NA peptide +7544 ACE inhibitor IW 158.5815 MH2+ Inhouse_peptide NA peptide +MJ003085 Copper(II) sulfate CuO4S 158.88133 NA MeJP NA NA +MetaCyc01142 CuSO4 [Cupric Sulfate;Copper Sulfate;] O4S1CU1 158.88133 NA metacyc NA NA +MJ003086 4-Isothiocyanato-1-(methylthio)-1-butene C6H9NS2 159.01764 NA MeJP NA NA +MJ003087 Raphanusanin C6H9NS2 159.01764 NA MeJP NA NA +MJ003088 4-(2,5-Dioxo-4-imidazolidinyl)carbamic acid C4H5N3O4 159.028005 NA MeJP NA NA +CJpos0343 Trigonelline (and isomer) [(M+Na)]+ C7H7NNaO2 159.029075 C18rt(min)=0.93 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0343 Trigonelline (and isomer) [(M+Na)]+ C7H7NNaO2 159.029075 C18rt(min)=0.93 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +JH142 Xanthurenic acid [M+H-HCOOH]+ NA 159.0315 12.46 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH142 Xanthurenic acid [M+H-HCOOH]+ NA 159.0315 12.46 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH142 Xanthurenic acid [M+H-HCOOH]+ NA 159.0315 12.46 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH142 Xanthurenic acid [M+H-HCOOH]+ NA 159.0315 12.46 Inhousejuil11 NA NA +MJ003089 4-Isothiocyanatobutanoic acid; Me ester C6H9NO2S 159.035399 NA MeJP NA NA +CJneg0172 Erithrol (and isomers) [(M+Cl)]- (13C) C313CH10ClO4 159.038525 C18rt(min)=0.91 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0172 Erithrol (and isomers) [(M+Cl)]- (13C) C313CH10ClO4 159.038525 C18rt(min)=0.91 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ003090 1,4,5-Trihydroxy-2-cyclopentene-1-carboxamide C6H9NO4 159.053157 NA MeJP NA NA +MJ003091 1-Amino-1,3-cyclobutanedicarboxylic acid C6H9NO4 159.053157 NA MeJP NA NA +MJ003092 2,4-Pyrrolidinedicarboxylic acid C6H9NO4 159.053157 NA MeJP NA NA +MJ003093 2-Amino-4-methylenepentanedioic acid C6H9NO4 159.053157 NA MeJP NA NA +MJ003094 4-Amino-2,3,4-trideoxy-erythro-hex-2-enuronic acid C6H9NO4 159.053157 NA MeJP NA NA +MJ003095 ?-Amino-2-carboxycyclopropaneacetic acid C6H9NO4 159.053157 NA MeJP NA NA +MJ003096 ?-Amino-2-carboxycyclopropaneacetic acid C6H9NO4 159.053157 NA MeJP NA NA +MetaCyc01143 N-Methyl-2-oxoglutaramate [] C6H9N1O4 159.053158 NA metacyc NA NA +MetaCyc01144 β-alanopine [] C6H9N1O4 159.053158 NA metacyc NA NA +MetaCyc01145 2,2'-iminodipropanoate [Alanopine;] C6H9N1O4 159.053158 NA metacyc NA NA +C00651 4-Methylene-L-glutamate C6H9NO4 159.0532 NA KEGG NA NA +C03623 N-Methyl-2-oxoglutaramate C6H9NO4 159.0532 NA KEGG NA NA +3494 ACE inhibitor from sake HY 159.0605 MH2+ Inhouse_peptide NA peptide +MJ003097 Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid C5H9N3O3 159.064391 NA MeJP NA NA +EUR336 Serotonine F2 F2 159.065675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR336 Serotonine F2 NA 159.065675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR336 Serotonine F2 F2 159.065675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR336 Serotonine F2 NA 159.065675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR336 Serotonine F2 F2 159.065675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR336 Serotonine F2 NA 159.065675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR336 Serotonine F2 F2 159.065675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR336 Serotonine F2 F2 159.065675 standards wishlist analysés sur QTOF HMDB NA NA +EUR336 Serotonine F2 F2 159.065675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR336 Serotonine F2 NA 159.065675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR336 Serotonine F2 F2 159.065675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR336 Serotonine F2 F2 159.065675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0344 Serotonin [(M+H)-(NH3)]+ C10H10NO 159.067875 C18rt(min)=4.15 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0345 N-Acetyl-5-hydroxytryptamine (N-Acetyl-serotonine) [(M+H)-(C2H5NO)]+ C10H10ON 159.067875 C18rt(min)=5.7 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0344 Serotonin [(M+H)-(NH3)]+ C10H10NO 159.067875 C18rt(min)=4.15 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0345 N-Acetyl-5-hydroxytryptamine (N-Acetyl-serotonine) [(M+H)-(C2H5NO)]+ C10H10ON 159.067875 C18rt(min)=5.7 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C00637 Indole-3-acetaldehyde C10H9NO 159.0684 NA KEGG NA NA +C00638 Long-chain fatty acid C3H5O2R 159.0684 NA KEGG NA NA +C06345 3-Methyl-quinolin-2-ol C10H9NO 159.0684 NA KEGG NA NA +C10663 Echinopsine C10H9NO 159.0684 NA KEGG NA NA +C14789 N-Hydroxy-1-aminonaphthalene C10H9NO 159.0684 NA KEGG NA NA +HMDB01190 Indoleacetaldehyde C10H9NO 159.06841 http://www.hmdb.ca/metabolites/HMDB01190 HMDB NA NA +HMDB01190 Indoleacetaldehyde C10H9NO 159.06841 HMDB01190 PFEM_hmdb_metabocards_official NA NA +MJ003098 Indole-3-acetaldehyde C10H9NO 159.068413 NA MeJP NA NA +MJ003099 1-Methyl-4(1H)-quinolinone C10H9NO 159.068413 NA MeJP NA NA +MJ003100 1H-Indole-3-acetaldehyde C10H9NO 159.068413 NA MeJP NA NA +MJ003101 2(1H)-Quinolinone; NH-form, N-Me C10H9NO 159.068413 NA MeJP NA NA +MJ003102 2-(Aminomethylene)-1-indanone C10H9NO 159.068413 NA MeJP NA NA +MJ003103 3-Ethylidene-1,3-dihydro-2H-indol-2-one C10H9NO 159.068413 NA MeJP NA NA +MJ003104 3-Oxiranyl-1H-indole C10H9NO 159.068413 NA MeJP NA NA +MJ003105 4-Hydroxymethylquinoline C10H9NO 159.068413 NA MeJP NA NA +MJ003106 8-Hydroxy-5-methylquinoline C10H9NO 159.068413 NA MeJP NA NA +MJ003107 Pediculidine C10H9NO 159.068413 NA MeJP NA NA +MetaCyc01146 indole acetaldehyde [indole-3-acetaldehyde;2-(indol-3-yl)acetaldehyde;] C10H9N1O1 159.068414 2591-98-2 metacyc NA NA +MetaCyc01147 3-methyl-2-oxo-1,2-dihydroquinoline [3-methylhydroquinolin-2-one;3-methyl-2-quinolinone;2-hydroxy-3-methylquinoline;3-methylcarbostyril;] C10H9N1O1 159.068414 2721-59-7 metacyc NA NA +HMDB01190 Indoleacetaldehyde C10H9NO 159.06842 NA HMDB2010 NA NA +CJpos0346 Methyl (hydroxymethyl)pyrrolidine-carboxylate Methyl (hydroxy)piperidine-carboxylate [(M+H)]+ C7H14NO3 159.088975 C18rt(min)=4.6 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0347 Isovalerylglycine [(M+H)]+ C7H14NO3 159.088975 C18rt(min)=5.2 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0348 Valerylglycine isomer [(M+H)]+ C7H14NO3 159.088975 C18rt(min)=5.05 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0346 Methyl (hydroxymethyl)pyrrolidine-carboxylate § Methyl (hydroxy)piperidine-carboxylate [(M+H)]+ C7H14NO3 159.088975 C18rt(min)=4.6 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0347 Isovalerylglycine [(M+H)]+ C7H14NO3 159.088975 C18rt(min)=5.2 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0348 Valerylglycine isomer [(M+H)]+ C7H14NO3 159.088975 C18rt(min)=5.05 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C03087 5-Acetamidopentanoate C7H13NO3 159.0895 NA KEGG NA NA +C08269 (-)-Betonicine C7H13NO3 159.0895 NA KEGG NA NA +C10151 3-Hydroxystachydrine C7H13NO3 159.0895 NA KEGG NA NA +C10850 Calystegin A3 C7H13NO3 159.0895 NA KEGG NA NA +HMDB00339 2-Methylbutyrylglycine C7H13NO3 159.089539 NA HMDB2010 NA NA +HMDB00678 Isovalerylglycine C7H13NO3 159.089539 NA HMDB2010 NA NA +HMDB00927 Valerylglycine C7H13NO3 159.089539 NA HMDB2010 NA NA +HMDB11757 N-Acetylvaline C7H13NO3 159.089539 NA HMDB2010 NA NA +HMDB12154 3-Dehydrocarnitine C7H13NO3 159.089539 NA HMDB2010 NA NA +HMDB12175 5-Acetamidovalerate C7H13NO3 159.089539 NA HMDB2010 NA NA +HMDB00678 Isovalerylglycine C7H13NO3 159.08954 http://www.hmdb.ca/metabolites/HMDB00678 PFEM_hmdb_metabocards_urine NA urine +HMDB00678 Isovalerylglycine C7H13NO3 159.08954 http://www.hmdb.ca/metabolites/HMDB00678 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00678 Isovalerylglycine C7H13NO3 159.08954 http://www.hmdb.ca/metabolites/HMDB00678 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00678 Isovalerylglycine C7H13NO3 159.08954 http://www.hmdb.ca/metabolites/HMDB00678 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00339 2-Methylbutyrylglycine C7H13NO3 159.08954 http://www.hmdb.ca/metabolites/HMDB00339 HMDB NA NA +HMDB00678 Isovalerylglycine C7H13NO3 159.08954 http://www.hmdb.ca/metabolites/HMDB00678 HMDB NA NA +HMDB00927 Valerylglycine C7H13NO3 159.08954 http://www.hmdb.ca/metabolites/HMDB00927 HMDB NA NA +HMDB00678 Isovalerylglycine C7H13NO3 159.08954 NA ;SYN:2-Amino-2-methylpropanoate; 2-Amino-2-methylpropanoic acid; 2-Aminoisobutyrate; 2-Aminoisobutyric acid; 2-Methylalanine; AIB; a-Aminoisobutanoate; a-Aminoisobutanoic acid; a-Aminoisobutyrate; a-Aminoisobutyric acid; a-Methylalanine; alpha-Aminoisobutanoate; alpha-Aminoisobutanoic acid; alpha-Aminoisobutyrate; alpha-Aminoisobutyric acid; alpha-MethylalanineH2Blood Inhouse_peptide NA peptide +HMDB00678 Isovalerylglycine C7H13NO3 159.08954 http://www.hmdb.ca/metabolites/HMDB00678 PFEM_hmdb_metabocards_blood NA blood +HMDB00339 2-Methylbutyrylglycine C7H13NO3 159.08954 HMDB00339 PFEM_hmdb_metabocards_official NA NA +HMDB00678 Isovalerylglycine C7H13NO3 159.08954 HMDB00678 PFEM_hmdb_metabocards_official NA NA +HMDB00927 Valerylglycine C7H13NO3 159.08954 HMDB00927 PFEM_hmdb_metabocards_official NA NA +MJ003108 2-Amino-6-hydroxy-4-methyl-4-hexenoic acid C7H13NO3 159.089543 NA MeJP NA NA +MJ003109 2-Amino-6-hydroxy-5-methyl-4-hexenoic acid C7H13NO3 159.089543 NA MeJP NA NA +MJ003110 2-Azetidinecarboxylic acid, N-(3-Hydroxypropyl) C7H13NO3 159.089543 NA MeJP NA NA +MJ003111 3-Hydroxystachydrine C7H13NO3 159.089543 NA MeJP NA NA +MJ003112 4-Hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate C7H13NO3 159.089543 NA MeJP NA NA +MJ003113 4-Hydroxy-2-piperidinecarboxylic acid, Me ether C7H13NO3 159.089543 NA MeJP NA NA +MJ003114 4-Hydroxy-2-piperidinecarboxylic acid, N-Me C7H13NO3 159.089543 NA MeJP NA NA +MJ003115 4-Hydroxy-2-pyrrolidinecarboxylic acid, Me ether, N-Me C7H13NO3 159.089543 NA MeJP NA NA +MJ003116 4-Hydroxy-3-pyrrolidinecarboxylic acid, N,N-Di-Me, betaine C7H13NO3 159.089543 NA MeJP NA NA +MJ003117 5-Hydroxy-6-methyl-2-piperidinecarboxylic acid C7H13NO3 159.089543 NA MeJP NA NA +MJ003118 8-Azabicyclo[3.2.1]octane-1,2,3-triol C7H13NO3 159.089543 NA MeJP NA NA +MJ003119 8-Azabicyclo[3.2.1]octane-1,2,4-triol C7H13NO3 159.089543 NA MeJP NA NA +MJ003120 8-Azabicyclo[3.2.1]octane-1,2,7-triol C7H13NO3 159.089543 NA MeJP NA NA +MJ003121 8-Azabicyclo[3.2.1]octane-1,3,4-triol C7H13NO3 159.089543 NA MeJP NA NA +MJ003122 5-Acetamidopentanoate C7H13NO3 159.089543 NA MeJP NA NA +MetaCyc01148 5-acetamidovalerate [5-acetamidopentanoate;] C7H13N1O3 159.089543 NA metacyc NA NA +MetaCyc01149 3-dehydrocarnitine [3-de-H-carnitine;] C7H13N1O3 159.089543 10457-99-5 metacyc NA NA +CJneg0173 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(CO2)]- C7H12NO3 159.090125 C18rt(min)=4.55 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0174 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(CO2)]- C7H12NO3 159.090125 C18rt(min)=5.1 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0175 Isovalerylglycine [(M-H)]- C7H12NO3 159.090125 C18rt(min)=5.2 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0176 Methyl (hydroxymethyl)pyrrolidine-carboxylate / Methyl (hydroxy)piperidine-carboxylate [(M-H)]- C7H12NO3 159.090125 C18rt(min)=4.6 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0173 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(CO2)]- C7H12NO3 159.090125 C18rt(min)=4.55 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0174 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(CO2)]- C7H12NO3 159.090125 C18rt(min)=5.1 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0175 Isovalerylglycine [(M-H)]- C7H12NO3 159.090125 C18rt(min)=5.2 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0176 Methyl (hydroxymethyl)pyrrolidine-carboxylate / Methyl (hydroxy)piperidine-carboxylate [(M-H)]- C7H12NO3 159.090125 C18rt(min)=4.6 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +C13688 delta-Guanidinovaleric acid C6H13N3O2 159.1008 NA KEGG NA NA +MJ003123 Pargyline C11H13N 159.104799 NA MeJP NA NA +C07414 Pargyline C11H13N 159.1048 NA KEGG NA NA +MJ003124 2-Amino-6-methylheptanoic acid C8H17NO2 159.125928 NA MeJP NA NA +MJ003125 2-Methoxy-N-(3-methylbutyl)acetamide C8H17NO2 159.125928 NA MeJP NA NA +MJ003126 4-(Dimethylamino)-2,3,4,6-tetradeoxy-threo-hexose C8H17NO2 159.125928 NA MeJP NA NA +MJ003127 4-Amino-2,3,4,6-tetradeoxy-erythro-hexose, N,N-Di-Me C8H17NO2 159.125928 NA MeJP NA NA +MJ003128 5-Aminopentanoic acid; N,N,N-Tri-Me, betaine C8H17NO2 159.125928 NA MeJP NA NA +MJ003129 Pregabalin C8H17NO2 159.125928 NA MeJP NA NA +MJ003130 Valine, N-Tri-Me, betaine C8H17NO2 159.125928 NA MeJP NA NA +MJ003131 2-Hydroxy-N,N,N-trimethyl-1-propanaminium(1+), Ac C8H18NO2(+) 159.125928 NA MeJP NA NA +MJ003132 Choline; O-Propanoyl C8H18NO2(+) 159.125928 NA MeJP NA NA +MetaCyc01150 2-aminocaprylate [2-aminocaprylic acid;α-aminocaprylic acid;2-aminooctanoic acid;] C8H17N1O2 159.125929 644-90-6 metacyc NA NA +HMDB00991 DL-2-Aminooctanoic acid C8H17NO2 159.12593 http://www.hmdb.ca/metabolites/HMDB00991 HMDB NA NA +HMDB00991 DL-2-Aminooctanoic acid C8H17NO2 159.12593 HMDB00991 PFEM_hmdb_metabocards_official NA NA +LABER081 2-amino-octanoic NA 159.125931 NA PFEM_hmdb_metabocards_urine NA urine +LABER081 2-amino-octanoic NA 159.125931 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER081 2-amino-octanoic NA 159.125931 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER081 2-amino-octanoic NA 159.125931 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER081 2-amino-octanoic NA 159.125931 NA HMDB NA NA +HMDB00991 DL-2-Aminooctanoic acid C8H17NO2 159.125931 NA HMDB2010 NA NA +LABER081 2-amino-octanoic NA 159.125931 NA Inhouse_PFEM NA NA +LABER081 2-amino-octanoic NA 159.125931 NA Inhousejuil11 NA NA +LABER081 2-amino-octanoic NA 159.125931 NA PFEM_hmdb_metabocards_blood NA blood +LABER081 2-amino-octanoic NA 159.125931 NA PFEM_hmdb_metabocards_official NA NA +MJ003133 1-Amino-2-propanol, Et ether, N,N-di-Et C9H21NO 159.162314 NA MeJP NA NA +C06366 Homospermidine C8H21N3 159.1735 NA KEGG NA NA +C16565 Aminopropylcadaverine C8H21N3 159.1735 NA KEGG NA NA +MJ003134 4,4'-Diaminodibutylamine C8H21N3 159.173547 NA MeJP NA NA +MJ003135 Spermidine; N'-Me C8H21N3 159.173547 NA MeJP NA NA +MetaCyc01151 sym-homospermidine [] C8H21N3 159.173548 NA metacyc NA NA +HMDB12189 Aminopropylcadaverine C8H21N3 159.173553 NA HMDB2010 NA NA +MJ003136 Zinc sulfate O4SZn 159.880875 NA MeJP NA NA +C02677 Dimethyl telluride C2H6Te 159.9532 NA KEGG NA NA +JH008 Benzoic acid [M+K]+ NA 159.9832 14.38 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH008 Benzoic acid [M+K]+ NA 159.9832 14.38 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH008 Benzoic acid [M+K]+ NA 159.9832 14.38 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH008 Benzoic acid [M+K]+ NA 159.9832 14.38 Inhousejuil11 NA NA +MetaCyc01152 methyl-acetylphosphonate [phosphonic acid, acetyl-, monomethyl ester, monosodium salt;] C3H6O4NA1P1 159.99014 NA metacyc NA NA +C06328 6-Chlorobenzene-1,2,4-triol C6H5ClO3 159.9927 NA KEGG NA NA +C07102 5-Chloro-1,2,4-trihydroxybenzene C6H5ClO3 159.9927 NA KEGG NA NA +MJ003137 5-Chloro-1,2,4-trihydroxybenzene C6H5ClO3 159.992721 NA MeJP NA NA +MJ003138 6-Chlorobenzene-1,2,4-triol C6H5ClO3 159.992721 NA MeJP NA NA +MJ003139 2-Chloro-1,3,5-benzenetriol C6H5ClO3 159.992721 NA MeJP NA NA +MetaCyc01153 6-chlorohydroxyquinol [6-chloro-1,2,4-trihydroxybenzene;6-CHQ;] C6H5O3CL1 159.992722 NA metacyc NA NA +MJ003140 5,5-Dimethyl-2,4-imidazolidinedithione C5H8N2S2 160.012889 NA MeJP NA NA +C16474 3-Fluoro-cis,cis-muconate C6H5FO4 160.0172 NA KEGG NA NA +C16475 2-Fluoro-cis,cis-muconate C6H5FO4 160.0172 NA KEGG NA NA +C16476 4-Fluoromuconolactone C6H5FO4 160.0172 NA KEGG NA NA +C16477 5-Fluoromuconolactone C6H5FO4 160.0172 NA KEGG NA NA +MJ003141 Thiacremonone C6H8O3S 160.019414 NA MeJP NA NA +MJ003142 2-Chloro-3-(1-hydroxyethyl)-2-cyclopenten-1-one C7H9ClO2 160.029107 NA MeJP NA NA +CJneg0177 Erithrol (and isomers) [(M+Cl)]- (37Cl) C4H10Cl037ClO4 160.032225 C18rt(min)=0.91 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0177 Erithrol (and isomers) [(M+Cl)]- (37Cl) C4H10Cl037ClO4 160.032225 C18rt(min)=0.91 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +HMDB00225 Oxoadipic acid C6H8O5 160.03717 http://www.hmdb.ca/metabolites/HMDB00225 PFEM_hmdb_metabocards_urine NA urine +HMDB00225 Oxoadipic acid C6H8O5 160.03717 http://www.hmdb.ca/metabolites/HMDB00225 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00225 Oxoadipic acid C6H8O5 160.03717 http://www.hmdb.ca/metabolites/HMDB00225 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00225 Oxoadipic acid C6H8O5 160.03717 http://www.hmdb.ca/metabolites/HMDB00225 HMDB NA NA +HMDB00398 3-Oxoadipic acid C6H8O5 160.03717 http://www.hmdb.ca/metabolites/HMDB00398 HMDB NA NA +HMDB00225 Oxoadipic acid C6H8O5 160.03717 HMDB00225 PFEM_hmdb_metabocards_official NA NA +HMDB00398 3-Oxoadipic acid C6H8O5 160.03717 HMDB00398 PFEM_hmdb_metabocards_official NA NA +HMDB00225 Oxoadipic acid C6H8O5 160.03717 NA HMDB2010 NA NA +HMDB00398 3-Oxoadipic acid C6H8O5 160.03717 NA HMDB2010 NA NA +MJ003143 2-(Dihydroxymethyl)-2-hydroxy-2H-pyran-3(6H)-one C6H8O5 160.037173 NA MeJP NA NA +MJ003144 2-Methyl-4-oxopentanedioic acid C6H8O5 160.037173 NA MeJP NA NA +MJ003145 2-Oxohexanedioic acid C6H8O5 160.037173 NA MeJP NA NA +MJ003146 3,5/4-Trihydroxycyclohexa-1,2-dione C6H8O5 160.037173 NA MeJP NA NA +MJ003147 D-2,3-Diketo 4-deoxy-epi-inositol C6H8O5 160.037173 NA MeJP NA NA +MJ003148 2-Oxoadipate C6H8O5 160.037173 NA MeJP NA NA +MJ003149 3-Oxoadipate C6H8O5 160.037173 NA MeJP NA NA +MetaCyc01154 β-ketoadipate [3-oxoadipate;3-ketoadipate;] C6H8O5 160.037173 NA metacyc NA NA +MetaCyc01155 α-ketoadipate [2-ketoadipate;2-oxoadipate;2-keto-adipate;2-oxohexanedionic acid;] C6H8O5 160.037173 3184-35-8 metacyc NA NA +MetaCyc01156 D-2,3-diketo-4-deoxy-epi-inositol [3,5/4-Trihydroxycyclohexa-1,2-dione;] C6H8O5 160.037173 NA metacyc NA NA +C00322 2-Oxoadipate C6H8O5 160.0372 NA KEGG NA NA +C00846 3-Oxoadipate C6H8O5 160.0372 NA KEGG NA NA +C04287 3D-(3,5/4)-Trihydroxycyclohexane-1,2-dione C6H8O5 160.0372 NA KEGG NA NA +C06891 D-2,3-Diketo 4-deoxy-epi-inositol C6H8O5 160.0372 NA KEGG NA NA +C16159 2-Formylglutarate C6H8O5 160.0372 NA KEGG NA NA +C16160 Linoleoyl-[acyl-carrier protein] C18H31OSR 160.0372 NA KEGG NA NA +C16161 alpha-Linolenoyl-ACP C18H29OSR 160.0372 NA KEGG NA NA +CJneg0178 2-Oxoadipic acid [(M-H)]- C6H7O5 160.037725 C18rt(min)=4.65 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0179 3-Oxoadipic acid [(M-H)]- C6H7O5 160.037725 C18rt(min)=4.5 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0178 2-Oxoadipic acid [(M-H)]- C6H7O5 160.037725 C18rt(min)=4.65 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0179 3-Oxoadipic acid [(M-H)]- C6H7O5 160.037725 C18rt(min)=4.5 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +C03409 N-Formimino-L-aspartate C5H8N2O4 160.0484 NA KEGG NA NA +C08298 Tricholomic acid C5H8N2O4 160.0484 NA KEGG NA NA +MJ003150 Tricholomic acid C5H8N2O4 160.048406 NA MeJP NA NA +MJ003151 N-Formimino-L-aspartate C5H8N2O4 160.048406 NA MeJP NA NA +MetaCyc01157 N-formimino-L-aspartate [N-formimidoyl-L-aspartate;] C5H8N2O4 160.048407 NA metacyc NA NA +C03012 Naphthalene-1,2-diol C10H8O2 160.0524 NA KEGG NA NA +C07719 2-Formyl-1-indanone C10H8O2 160.0524 NA KEGG NA NA +C07726 1-Formyl-2-indanone C10H8O2 160.0524 NA KEGG NA NA +C14785 1,4-Dihydroxynaphthalene C10H8O2 160.0524 NA KEGG NA NA +C16213 2,3-Dihydroxynaphthalene C10H8O2 160.0524 NA KEGG NA NA +MJ003152 Naphthalene-1,2-diol C10H8O2 160.052429 NA MeJP NA NA +MJ003153 1,8-Naphthalenediol C10H8O2 160.052429 NA MeJP NA NA +MJ003154 1-Formyl-2-indanone C10H8O2 160.052429 NA MeJP NA NA +MJ003155 1-Hydroxy-4,6,8-decatriyn-3-one C10H8O2 160.052429 NA MeJP NA NA +MJ003156 10-Hydroxy-2,8-decadiene-4,6-diynal C10H8O2 160.052429 NA MeJP NA NA +MJ003157 2,8-Decadiene-4,6-diynoic acid C10H8O2 160.052429 NA MeJP NA NA +MJ003158 2-Decene-4,6,8-triyn-1-ol, 2R*,3S*-Epoxide C10H8O2 160.052429 NA MeJP NA NA +MJ003159 2-Decene-4,6,8-triyne-1,10-diol C10H8O2 160.052429 NA MeJP NA NA +MJ003160 2-Formyl-1-indanone C10H8O2 160.052429 NA MeJP NA NA +MJ003161 2-Methyl-4-benzofurancarboxaldehyde C10H8O2 160.052429 NA MeJP NA NA +MJ003162 3,4-Nonadiene-6,8-diynoic acid, Me ester C10H8O2 160.052429 NA MeJP NA NA +MJ003163 3-Methyl-4H-1-benzopyran-4-one C10H8O2 160.052429 NA MeJP NA NA +MJ003164 5-(1,2,4-Hexatrienylidene)-2(5H)-furanone C10H8O2 160.052429 NA MeJP NA NA +MJ003165 Matricarialactone C10H8O2 160.052429 NA MeJP NA NA +MJ003166 Viburtinal C10H8O2 160.052429 NA MeJP NA NA +MetaCyc01158 naphthalene-1,2-diol [1,2-dihydroxynaphthalene;] C10H8O2 160.05243 574-00-5 metacyc NA NA +MetaCyc01159 2-formyl-1-indanone [] C10H8O2 160.05243 NA metacyc NA NA +MetaCyc01160 1-formyl-2-indanone [1-Formal-2-indanone;] C10H8O2 160.05243 NA metacyc NA NA +8096 ACE inhibitor AGSS 160.061 MH2+ Inhouse_peptide NA peptide +MJ003167 1-Methyl-4(1H)-quinazolinone C9H8N2O 160.063662 NA MeJP NA NA +MJ003168 1H-Indole-3-carboxylic acid; Amide C9H8N2O 160.063662 NA MeJP NA NA +MJ003169 2-Hydroxy-5-methyl-1,6-naphthyridine C9H8N2O 160.063662 NA MeJP NA NA +MJ003170 4-Hydroxy-2-methylquinazoline C9H8N2O 160.063662 NA MeJP NA NA +CJpos0349 3,3-Dimethylglutaric acid [(M+H)]+ C7H13O4 160.072975 C18rt(min)=5.8 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0350 2,2-dimethylglutaric acid [(M+H)]+ C7H13O4 160.072975 C18rt(min)=6.04 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0351 2,2-dimethylglutaric acid [(M+H)]+ C7H13O4 160.072975 C18rt(min)=6.04 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0352 Pimelic acid 3-methyladipic acid [(M+H)]+ C7H13O4 160.072975 C18rt(min)=5.77 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0349 3,3-Dimethylglutaric acid [(M+H)]+ C7H13O4 160.072975 C18rt(min)=5.8 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0350 2,2-dimethylglutaric acid [(M+H)]+ C7H13O4 160.072975 C18rt(min)=6.04 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0351 2,2-dimethylglutaric acid [(M+H)]+ C7H13O4 160.072975 C18rt(min)=6.04 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0352 Pimelic acid § 3-methyladipic acid [(M+H)]+ C7H13O4 160.072975 C18rt(min)=5.77 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ003171 2,3,4-Trihydroxy-6-methylcyclohexanone C7H12O4 160.073558 NA MeJP NA NA +MJ003172 Diethyl malonate C7H12O4 160.073558 NA MeJP NA NA +MJ003173 Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methyl-2(3H)-furanone C7H12O4 160.073558 NA MeJP NA NA +MJ003174 Heptanedioic acid C7H12O4 160.073558 NA MeJP NA NA +MJ003175 6-Carboxyhexanoate C7H12O4 160.073558 NA MeJP NA NA +MetaCyc01161 pimelate [heptanedioate;6-carboxyhexanoate;pimelic acid;] C7H12O4 160.073559 NA metacyc NA NA +MetaCyc01162 (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylate [] C7H12O4 160.073559 NA metacyc NA NA +HMDB00857 Pimelic acid C7H12O4 160.07356 http://www.hmdb.ca/metabolites/HMDB00857 PFEM_hmdb_metabocards_urine NA urine +EUR617 Pimelic acid NA 160.07356 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +EUR617 Pimelic acid NA 160.07356 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00857 Pimelic acid C7H12O4 160.07356 http://www.hmdb.ca/metabolites/HMDB00857 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR617 Pimelic acid NA 160.07356 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00857 Pimelic acid C7H12O4 160.07356 http://www.hmdb.ca/metabolites/HMDB00857 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR617 Pimelic acid NA 160.07356 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00857 Pimelic acid C7H12O4 160.07356 http://www.hmdb.ca/metabolites/HMDB00857 HMDB NA NA +HMDB02441 3,3-Dimethylglutaric acid C7H12O4 160.07356 http://www.hmdb.ca/metabolites/HMDB02441 HMDB NA NA +EUR617 Pimelic acid NA 160.07356 identifiés dans standard mixture NuGO HMDB NA NA +EUR617 Pimelic acid NA 160.07356 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +EUR617 Pimelic acid NA 160.07356 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR617 Pimelic acid NA 160.07356 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +HMDB00857 Pimelic acid C7H12O4 160.07356 HMDB00857 PFEM_hmdb_metabocards_official NA NA +HMDB02441 3,3-Dimethylglutaric acid C7H12O4 160.07356 HMDB02441 PFEM_hmdb_metabocards_official NA NA +HMDB00555 3-Methyladipic acid C7H12O4 160.073563 NA HMDB2010 NA NA +HMDB00857 Pimelic acid C7H12O4 160.073563 NA HMDB2010 NA NA +HMDB02441 3,3-Dimethylglutaric acid C7H12O4 160.073563 NA HMDB2010 NA NA +EUR617 Pimelic acid [M-H]- 160.0736 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR617 Pimelic acid [M-H]- 160.0736 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR617 Pimelic acid [M-H]- 160.0736 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR617 Pimelic acid [M-H]- 160.0736 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C02656 6-Carboxyhexanoate C7H12O4 160.0736 NA KEGG NA NA +C04687 (1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate C7H12O4 160.0736 NA KEGG NA NA +C04688 (3R)-3-Hydroxytetradecanoyl-[acyl-carrier protein] C14H27O2SR 160.0736 NA KEGG NA NA +C16657 2-Propylsuccinic acid C7H12O4 160.0736 NA KEGG NA NA +7590 ACE inhibitor AA 160.074 antioxidative Inhouse_peptide NA peptide +CJneg0180 2,2-dimethylglutaric acid [(M-H)]- C7H11O4 160.074125 C18rt(min)=6.04 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0181 Pimelic acid / 3-methyladipic acid [(M-H)]- C7H11O4 160.074125 C18rt(min)=5.77 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0182 Mono-methyl-adipate [(M-H)]- C7H11O4 160.074125 C18rt(min)=6.27 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0183 Mono-methyl-adipate isomer [(M-H)]- C7H11O4 160.074125 C18rt(min)=4.38 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0180 2,2-dimethylglutaric acid [(M-H)]- C7H11O4 160.074125 C18rt(min)=6.04 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0181 Pimelic acid / 3-methyladipic acid [(M-H)]- C7H11O4 160.074125 C18rt(min)=5.77 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0182 Mono-methyl-adipate [(M-H)]- C7H11O4 160.074125 C18rt(min)=6.27 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0183 Mono-methyl-adipate isomer [(M-H)]- C7H11O4 160.074125 C18rt(min)=4.38 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ003176 1-Hydrazinophthalazine C8H8N4 160.074896 NA MeJP NA NA +C07040 Hydralazine C8H8N4 160.0749 NA KEGG NA NA +C07041 Transferred to D00340 C8H8N4 160.0749 NA KEGG NA NA +HMDB03459 D-Alanyl-D-alanine C6H12N2O3 160.08479 http://www.hmdb.ca/metabolites/HMDB03459 HMDB NA NA +HMDB03459 D-Alanyl-D-alanine C6H12N2O3 160.08479 HMDB03459 PFEM_hmdb_metabocards_official NA NA +MJ003177 2,4-Diaminobutanoic acid, N4-Ac C6H12N2O3 160.084792 NA MeJP NA NA +MJ003178 2,4-Diaminobutanoic acid, N2-Ac C6H12N2O3 160.084792 NA MeJP NA NA +MJ003179 2,6-Diamino-4-oxohexanoic acid C6H12N2O3 160.084792 NA MeJP NA NA +MJ003180 2-Amino-4-(2-aminoethoxy)-3-butenoic acid C6H12N2O3 160.084792 NA MeJP NA NA +MJ003181 Asparagine, N-Et C6H12N2O3 160.084792 NA MeJP NA NA +MJ003182 D-Alanyl-D-alanine C6H12N2O3 160.084792 NA MeJP NA NA +MetaCyc01163 N5-methyl-L-glutamine [methylglutamine;N5-methylglutamine;] C6H12N2O3 160.084792 NA metacyc NA NA +MetaCyc01164 N-acetyl-L-2,4-diaminobutanoate [Nγ-acetyl-L-2,4-diaminobutyrate;Nγ-acetyl-L-2,4-diaminobutyric acid;Nγ-acetyl-L-2,4-diaminobutanoate;NADA;] C6H12N2O3 160.084792 NA metacyc NA NA +MetaCyc01165 D-alanyl-D-alanine [] C6H12N2O3 160.084792 923-16-0 metacyc NA NA +HMDB03459 D-Alanyl-D-alanine C6H12N2O3 160.084793 NA HMDB2010 NA NA +C00993 D-Alanyl-D-alanine C6H12N2O3 160.0848 NA KEGG NA NA +C03153 N5-Methyl-L-glutamine C6H12N2O3 160.0848 NA KEGG NA NA +C06442 N-gamma-Acetyldiaminobutyrate C6H12N2O3 160.0848 NA KEGG NA NA +C06443 Hydroxamate CH2NO2R 160.0848 NA KEGG NA NA +C10996 Daminozide C6H12N2O3 160.0848 NA KEGG NA NA +PJ000017 AA C6H12N2O3 160.0848 NA PeJP NA NA +MJ003183 5,6-Undecadiene-8,10-diyn-1-ol C11H12O 160.088815 NA MeJP NA NA +MJ003184 2-Methyl-4-propyl-1,3-oxathiane C8H16OS 160.092185 NA MeJP NA NA +CJpos0353 Methyl (hydroxymethyl)pyrrolidine-carboxylate Methyl (hydroxy)piperidine-carboxylate [(M+H)]+ (13C) C613CH14NO3 160.092375 C18rt(min)=4.6 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0354 Isovalerylglycine [(M+H)]+ (13C) C613CH14NO3 160.092375 C18rt(min)=5.2 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0355 Valerylglycine isomer [(M+H)]+ (13C) C613CH14NO3 160.092375 C18rt(min)=5.05 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0353 Methyl (hydroxymethyl)pyrrolidine-carboxylate § Methyl (hydroxy)piperidine-carboxylate [(M+H)]+ (13C) C613CH14NO3 160.092375 C18rt(min)=4.6 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0354 Isovalerylglycine [(M+H)]+ (13C) C613CH14NO3 160.092375 C18rt(min)=5.2 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0355 Valerylglycine isomer [(M+H)]+ (13C) C613CH14NO3 160.092375 C18rt(min)=5.05 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJneg0184 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(CO2)]- (13C) C613CH12NO3 160.093425 C18rt(min)=5.1 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0185 Isovalerylglycine [(M-H)]- (13C) C613CH12NO3 160.093425 C18rt(min)=5.2 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0186 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(CO2)]- (13C) C613CH12NO3 160.093425 C18rt(min)=4.55 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0184 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(CO2)]- (13C) C613CH12NO3 160.093425 C18rt(min)=5.1 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0185 Isovalerylglycine [(M-H)]- (13C) C613CH12NO3 160.093425 C18rt(min)=5.2 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0186 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(CO2)]- (13C) C613CH12NO3 160.093425 C18rt(min)=4.55 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +C02636 3-Dehydrocarnitine C7H14NO3 160.0974 NA KEGG NA NA +CJpos0356 Tryptamine [(M+H)]+ C10H13N2 160.099475 C18rt(min)=5.58 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0356 Tryptamine [(M+H)]+ C10H13N2 160.099475 C18rt(min)=5.58 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +C00398 Tryptamine C10H12N2 160.1 NA KEGG NA NA +C00399 Ubiquinone C14H18O4 160.1 NA KEGG NA NA +C02548 2-(2-Aminoethyl)indole C10H12N2 160.1 NA KEGG NA NA +C07147 Tolazoline C10H12N2 160.1 NA KEGG NA NA +C10126 Anatabine C10H12N2 160.1 NA KEGG NA NA +C16906 Anabaseine C10H12N2 160.1 NA KEGG NA NA +MJ003185 1,2,3,6-Tetrahydro-2,3'-bipyridine C10H12N2 160.100048 NA MeJP NA NA +MJ003186 1H-Indole-3-methanamine; 3-N-Me C10H12N2 160.100048 NA MeJP NA NA +MJ003187 2-Benzyl-4,5-dihydro-1H-imidazole C10H12N2 160.100048 NA MeJP NA NA +MJ003188 3,4,5,6-Tetrahydro-2,3'-bipyridine C10H12N2 160.100048 NA MeJP NA NA +MJ003189 Tryptamine C10H12N2 160.100048 NA MeJP NA NA +MetaCyc01166 tryptamine [3-(2-aminoethyl)indole;] C10H12N2 160.100048 61-54-1 metacyc NA NA +HMDB00303 Tryptamine C10H12N2 160.10005 http://www.hmdb.ca/metabolites/HMDB00303 PFEM_hmdb_metabocards_urine NA urine +HMDB00303 Tryptamine C10H12N2 160.10005 http://www.hmdb.ca/metabolites/HMDB00303 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00303 Tryptamine C10H12N2 160.10005 http://www.hmdb.ca/metabolites/HMDB00303 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00303 Tryptamine C10H12N2 160.10005 http://www.hmdb.ca/metabolites/HMDB00303 HMDB NA NA +HMDB04476 Anatabine C10H12N2 160.10005 http://www.hmdb.ca/metabolites/HMDB04476 HMDB NA NA +HMDB00303 Tryptamine C10H12N2 160.10005 HMDB00303 PFEM_hmdb_metabocards_official NA NA +HMDB04476 Anatabine C10H12N2 160.10005 HMDB04476 PFEM_hmdb_metabocards_official NA NA +LABER075 Tryptamine NA 160.100052 RT 2.83 fragt 144.08 PFEM_hmdb_metabocards_urine NA urine +LABER075 Tryptamine NA 160.100052 RT 2.83 fragt 144.08 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER075 Tryptamine NA 160.100052 RT 2.83 fragt 144.08 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER075 Tryptamine NA 160.100052 RT 2.83 fragt 144.08 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER075 Tryptamine NA 160.100052 RT 2.83 fragt 144.08 HMDB NA NA +HMDB00303 Tryptamine C10H12N2 160.100052 NA HMDB2010 NA NA +HMDB04476 Anatabine C10H12N2 160.100052 NA HMDB2010 NA NA +LABER075 Tryptamine NA 160.100052 RT 2.83 fragt 144.08 Inhouse_PFEM NA NA +LABER075 Tryptamine NA 160.100052 RT 2.83 fragt 144.08 Inhousejuil11 NA NA +LABER075 Tryptamine NA 160.100052 RT 2.83 fragt 144.08 PFEM_hmdb_metabocards_blood NA blood +LABER075 Tryptamine NA 160.100052 RT 2.83 fragt 144.08 PFEM_hmdb_metabocards_official NA NA +C03864 Ethyl (R)-3-hydroxyhexanoate C8H16O3 160.1099 NA KEGG NA NA +C03865 Ethyl (S)-3-hydroxyhexanoate C8H16O3 160.1099 NA KEGG NA NA +C03866 Glucuronoxylan D-glucuronate C8H16O3 160.1099 NA KEGG NA NA +C03867 High-mannose oligosaccharide C8H16O3 160.1099 NA KEGG NA NA +C16649 4-Hydroxyvalproic acid C8H16O3 160.1099 NA KEGG NA NA +C16650 5-Hydroxyvalproic acid C8H16O3 160.1099 NA KEGG NA NA +C16651 3-Hydroxyvalproic acid C8H16O3 160.1099 NA KEGG NA NA +C17527 Rengyol C8H16O3 160.1099 NA KEGG NA NA +HMDB00486 7-Hydroxyoctanoic acid C8H16O3 160.10994 http://www.hmdb.ca/metabolites/HMDB00486 HMDB NA NA +HMDB00711 Hydroxyoctanoic acid C8H16O3 160.10994 http://www.hmdb.ca/metabolites/HMDB00711 HMDB NA NA +HMDB01954 3-hydroxyoctanoic acid C8H16O3 160.10994 http://www.hmdb.ca/metabolites/HMDB01954 HMDB NA NA +HMDB02264 (R)-2-Hydroxycaprylic acid C8H16O3 160.10994 http://www.hmdb.ca/metabolites/HMDB02264 HMDB NA NA +HMDB00486 7-Hydroxyoctanoic acid C8H16O3 160.10994 HMDB00486 PFEM_hmdb_metabocards_official NA NA +HMDB00711 Hydroxyoctanoic acid C8H16O3 160.10994 HMDB00711 PFEM_hmdb_metabocards_official NA NA +HMDB01954 3-hydroxyoctanoic acid C8H16O3 160.10994 HMDB01954 PFEM_hmdb_metabocards_official NA NA +HMDB02264 (R)-2-Hydroxycaprylic acid C8H16O3 160.10994 HMDB02264 PFEM_hmdb_metabocards_official NA NA +HMDB00486 7-Hydroxyoctanoic acid C8H16O3 160.10994 NA HMDB2010 NA NA +HMDB00711 Hydroxyoctanoic acid C8H16O3 160.10994 NA HMDB2010 NA NA +HMDB01954 3-Hydroxyoctanoic acid C8H16O3 160.10994 NA HMDB2010 NA NA +HMDB02264 (R)-2-Hydroxycaprylic acid C8H16O3 160.10994 NA HMDB2010 NA NA +HMDB10722 (R)-3-Hydroxyoctanoic acid C8H16O3 160.10994 NA HMDB2010 NA NA +MJ003190 1-(2-Hydroxyethyl)-1,4-cyclohexanediol C8H16O3 160.109944 NA MeJP NA NA +MJ003191 3-Hydroxyoctanoic acid C8H16O3 160.109944 NA MeJP NA NA +MJ003192 4,5-Dihydroxyhexanal, ?-Et pyranoside C8H16O3 160.109944 NA MeJP NA NA +MJ003193 5-Hydroxyoctanoic acid C8H16O3 160.109944 NA MeJP NA NA +MJ003194 8-Hydroxyoctanoic acid C8H16O3 160.109944 NA MeJP NA NA +MetaCyc01167 ethyl (S)-3-hydroxyhexanoate [3-hydroxyhexanoic acid ethyl ester;] C8H16O3 160.109944 NA metacyc NA NA +MetaCyc01168 ethyl (R)-3-hydroxyhexanoate [3-hydroxyhexanoic acid ethyl ester;] C8H16O3 160.109944 NA metacyc NA NA +MJ003195 2,3,4,6,7-Pentadeoxy-2,6-diamino-ribo-heptose C7H16N2O2 160.121177 NA MeJP NA NA +MJ003196 2,6-Diamino-2,3,4,6-tetradeoxy-erythro-hexose, 6-N-Me C7H16N2O2 160.121177 NA MeJP NA NA +MJ003197 3,4-Diaminobutanoic acid, N4-Tri-Me C7H16N2O2 160.121177 NA MeJP NA NA +MJ003198 Lysine, N6-Me C7H16N2O2 160.121177 NA MeJP NA NA +MJ003199 Putreanine C7H16N2O2 160.121177 NA MeJP NA NA +MetaCyc01169 N6-Methyl-L-lysine [] C7H16N2O2 160.121178 NA metacyc NA NA +HMDB02038 N(6)-Methyllysine C7H16N2O2 160.121185 NA HMDB2010 NA NA +HMDB06009 Isoputreanine C7H16N2O2 160.121185 NA HMDB2010 NA NA +HMDB02038 N(6)-Methyllysine C7H16N2O2 160.12119 http://www.hmdb.ca/metabolites/HMDB02038 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02038 N(6)-Methyllysine C7H16N2O2 160.12119 http://www.hmdb.ca/metabolites/HMDB02038 HMDB NA NA +HMDB02038 N(6)-Methyllysine C7H16N2O2 160.12119 NA ;SYN:3,5-Diiodotyrocine; 3,5-Iodo-L-tyrosine; 3,5-L-Diiodotyrosine; 4-Hydroxy-3,5-diiodophenylalanine;L-3,5-DiioDOTyrosine; L-DiiodotyrosineH2Blood; Urine Inhouse_peptide NA peptide +HMDB02038 N(6)-Methyllysine C7H16N2O2 160.12119 http://www.hmdb.ca/metabolites/HMDB02038 PFEM_hmdb_metabocards_blood NA blood +HMDB02038 N(6)-Methyllysine C7H16N2O2 160.12119 HMDB02038 PFEM_hmdb_metabocards_official NA NA +C02728 N6-Methyl-L-lysine C7H16N2O2 160.1212 NA KEGG NA NA +C02729 O-Phosphoprotamine C7H16N2O2 160.1212 NA KEGG NA NA +MJ003200 Inflatene C12H16 160.1252 NA MeJP NA NA +C07471 Methacholine C8H18NO2 160.1338 NA KEGG NA NA +C07472 Transferred to D00524 C8H18NO2 160.1338 NA KEGG NA NA +MJ003201 1,3-Nonanediol C9H20O2 160.146329 NA MeJP NA NA +MJ003202 2-Isopropyl-1,5-hexanediol C9H20O2 160.146329 NA MeJP NA NA +3489 ACE inhibitor from sake lees RF 160.5845 MH2+ Inhouse_peptide NA peptide +7592 ACE inhibitor FR 160.5845 MH2+ Inhouse_peptide NA peptide +MJ003203 Iron(III) chloride Cl3Fe 160.8415 NA MeJP NA NA +HMDB06407 Selenophosphate [H2PO3Se]- 160.890686 NA HMDB2010 NA NA +C02791 3,4-Dichloroaniline C6H5Cl2N 160.9799 NA KEGG NA NA +C14419 2,4-Dichloroaniline C6H5Cl2N 160.9799 NA KEGG NA NA +C14712 2,5-Dichloroaniline C6H5Cl2N 160.9799 NA KEGG NA NA +MetaCyc01170 3,4-dichloroaniline [] C6H5N1CL2 160.979905 NA metacyc NA NA +MJ003204 5-(2-Chloroethyl)-4-methylthiazole C6H8ClNS 161.006597 NA MeJP NA NA +C01044 N-Formyl-L-aspartate C5H7NO5 161.0324 NA KEGG NA NA +HMDB02273 4-Hydroxy-L-glutamate C5H7NO5 161.03242 http://www.hmdb.ca/metabolites/HMDB02273 HMDB NA NA +HMDB02467 alpha-Ketoglutaric acid oxime C5H7NO5 161.03242 http://www.hmdb.ca/metabolites/HMDB02467 HMDB NA NA +HMDB02273 4-Hydroxy-L-glutamate C5H7NO5 161.03242 HMDB02273 PFEM_hmdb_metabocards_official NA NA +HMDB02467 alpha-Ketoglutaric acid oxime C5H7NO5 161.03242 HMDB02467 PFEM_hmdb_metabocards_official NA NA +MJ003205 N-Formyl-L-aspartate C5H7NO5 161.032422 NA MeJP NA NA +MetaCyc01171 N-formyl-L-aspartate [formyl aspartate;] C5H7N1O5 161.032422 19427-28-2 metacyc NA NA +HMDB02273 4-Hydroxy-L-glutamic acid C5H7NO5 161.032425 NA HMDB2010 NA NA +HMDB02467 A-Ketoglutaric acid oxime C5H7NO5 161.032425 NA HMDB2010 NA NA +MJ003206 1-Isothiocyanato-4-(methylthio)butane C6H11NS2 161.03329 NA MeJP NA NA +MJ003207 1-Thiocyanato-4-(methylthio)butane C6H11NS2 161.03329 NA MeJP NA NA +JH112 Kynurenic acid [M+H-CO]+ NA 161.0471 12.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH112 Kynurenic acid [M+H-CO]+ NA 161.0471 12.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH112 Kynurenic acid [M+H-CO]+ NA 161.0471 12.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH112 Kynurenic acid [M+H-CO]+ NA 161.0471 12.5 Inhousejuil11 NA NA +CJpos0357 Hippuric acid [(M+H)-(H2O)]+ C9H8NO2 161.047175 C18rt(min)=5.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0358 3-indole carboxylic acid glucuronide [(M+H)-(C6H8O6)]+ C9H8NO2 161.047175 C18rt(min)=6.2 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0357 Hippuric acid [(M+H)-(H2O)]+ C9H8NO2 161.047175 C18rt(min)=5.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0358 3-indole carboxylic acid glucuronide [(M+H)-(C6H8O6)]+ C9H8NO2 161.047175 C18rt(min)=6.2 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ003208 1H-Indole-2-carboxylic acid C9H7NO2 161.047678 NA MeJP NA NA +MJ003209 1H-Indole-3-carboxylic acid C9H7NO2 161.047678 NA MeJP NA NA +MJ003210 3,8-Quinolinediol C9H7NO2 161.047678 NA MeJP NA NA +MJ003211 4,8-Quinolinediol C9H7NO2 161.047678 NA MeJP NA NA +MJ003212 5-Hydroxy-1H-indole-3-carboxaldehyde C9H7NO2 161.047678 NA MeJP NA NA +MJ003213 5-Methyl-1H-indole-4,7-dione C9H7NO2 161.047678 NA MeJP NA NA +MJ003214 6-Hydroxy-1H-indole-3-carboxaldehyde C9H7NO2 161.047678 NA MeJP NA NA +MJ003215 4,6-Dihydroxyquinoline C9H7NO2 161.047678 NA MeJP NA NA +MJ003216 4,8-Dihydroxyquinoline C9H7NO2 161.047678 NA MeJP NA NA +MetaCyc01172 quinolin-3,4-diol [] C9H7N1O2 161.047678 NA metacyc NA NA +MetaCyc01173 quinolin-2,8-diol [] C9H7N1O2 161.047678 NA metacyc NA NA +MetaCyc01174 3-hydroxy-1H-quinolin-4-one [] C9H7N1O2 161.047678 NA metacyc NA NA +HMDB02285 2-Indolecarboxylic acid C9H7NO2 161.04768 http://www.hmdb.ca/metabolites/HMDB02285 HMDB NA NA +HMDB03320 Indole-3-carboxylic acid C9H7NO2 161.04768 http://www.hmdb.ca/metabolites/HMDB03320 HMDB NA NA +HMDB04077 4,6-Dihydroxyquinoline C9H7NO2 161.04768 http://www.hmdb.ca/metabolites/HMDB04077 HMDB NA NA +HMDB02285 2-Indolecarboxylic acid C9H7NO2 161.04768 HMDB02285 PFEM_hmdb_metabocards_official NA NA +HMDB03320 Indole-3-carboxylic acid C9H7NO2 161.04768 HMDB03320 PFEM_hmdb_metabocards_official NA NA +HMDB04077 4,6-Dihydroxyquinoline C9H7NO2 161.04768 HMDB04077 PFEM_hmdb_metabocards_official NA NA +HMDB02285 2-Indolecarboxylic acid C9H7NO2 161.047684 NA HMDB2010 NA NA +HMDB03320 Indole-3-carboxylic acid C9H7NO2 161.047684 NA HMDB2010 NA NA +HMDB04077 4,6-Dihydroxyquinoline C9H7NO2 161.047684 NA HMDB2010 NA NA +C05637 4,8-Dihydroxyquinoline C9H7NO2 161.0477 NA KEGG NA NA +C05639 4,6-Dihydroxyquinoline C9H7NO2 161.0477 NA KEGG NA NA +C06330 Quinoline-3,4-diol C9H7NO2 161.0477 NA KEGG NA NA +C06342 Quinolin-2,8-diol C9H7NO2 161.0477 NA KEGG NA NA +C11503 3-Hydroxy-1H-quinolin-4-one C9H7NO2 161.0477 NA KEGG NA NA +C16716 4-Hydroxy-2-quinolone C9H7NO2 161.0477 NA KEGG NA NA +CJneg0187 Xanthurenic acid [(M-H)-(CO2)]- C9H6NO2 161.048225 C18rt(min)=5.11 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0187 Xanthurenic acid [(M-H)-(CO2)]- C9H6NO2 161.048225 C18rt(min)=5.11 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C16759 S-Allyl-L-cysteine C6H11NO2S 161.051 NA KEGG NA NA +MJ003217 Cysteine, S-2-Propenyl C6H11NO2S 161.051049 NA MeJP NA NA +MJ003218 Entadamide A C6H11NO2S 161.051049 NA MeJP NA NA +MJ003219 S-(1-Propenyl)cysteine C6H11NO2S 161.051049 NA MeJP NA NA +MJ003220 Methyl(1,2,3,6-tetrahydro-4-pyridinyl)phosphinic acid C6H12NO2P 161.060565 NA MeJP NA NA +EUR434 Glucosamine F2 F2 161.066975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR434 Glucosamine F2 NA 161.066975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR434 Glucosamine F2 F2 161.066975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR434 Glucosamine F2 NA 161.066975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR434 Glucosamine F2 F2 161.066975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR434 Glucosamine F2 NA 161.066975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR434 Glucosamine F2 F2 161.066975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR434 Glucosamine F2 F2 161.066975 standards wishlist analysés sur QTOF HMDB NA NA +EUR434 Glucosamine F2 F2 161.066975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR434 Glucosamine F2 NA 161.066975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR434 Glucosamine F2 F2 161.066975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR434 Glucosamine F2 F2 161.066975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0359 2-aminoadipic acid [(M+H)]+ C6H12NO4 161.068275 C18rt(min)=1.05 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0359 2-aminoadipic acid [(M+H)]+ C6H12NO4 161.068275 C18rt(min)=1.05 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C00956 L-2-Aminoadipate C6H11NO4 161.0688 NA KEGG NA NA +C01046 N-Methyl-L-glutamate C6H11NO4 161.0688 NA KEGG NA NA +C01077 O-Acetyl-L-homoserine C6H11NO4 161.0688 NA KEGG NA NA +C01078 Procollagen L-proline C6H8N2O2R2 161.0688 NA KEGG NA NA +C02207 beta-Alanopine C6H11NO4 161.0688 NA KEGG NA NA +C03210 Alanopine C6H11NO4 161.0688 NA KEGG NA NA +C05016 L-Glutamate methylester C6H11NO4 161.0688 NA KEGG NA NA +C06234 4-Methyl-L-glutamate C6H11NO4 161.0688 NA KEGG NA NA +C06235 Alkylphosphonate PH2O4R 161.0688 NA KEGG NA NA +C17581 3-Amino-2,3-dideoxy-scyllo-inosose C6H11NO4 161.0688 NA KEGG NA NA +HMDB00510 Aminoadipic acid C6H11NO4 161.0688 Short chain quaternary ammonium salts ;SYN:Choline phosphate; N-Trimethyl-2-aminoethylphosphonate; O-Phosphocholine; Phosphocholine; Phosphoryl-cholineH2Blood; Breast Milk; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00510 Aminoadipic acid C6H11NO4 161.068802 NA HMDB2010 NA NA +MJ003221 4-Methyl-L-glutamate C6H11NO4 161.068807 NA MeJP NA NA +MJ003222 L-2-Aminoadipate C6H11NO4 161.068807 NA MeJP NA NA +MJ003223 N-Methyl-L-glutamate C6H11NO4 161.068807 NA MeJP NA NA +MJ003224 O-Acetyl-L-homoserine C6H11NO4 161.068807 NA MeJP NA NA +MJ003225 2,2'-Iminobispropanoic acid C6H11NO4 161.068807 NA MeJP NA NA +MJ003226 2,3'-Iminobispropanoic acid C6H11NO4 161.068807 NA MeJP NA NA +MJ003227 2-Amino-4-hydroxybutanoic acid, O-Ac C6H11NO4 161.068807 NA MeJP NA NA +MJ003228 2-Amino-4-methylpentanedioic acid C6H11NO4 161.068807 NA MeJP NA NA +MJ003229 2-Aminohexanedioic acid C6H11NO4 161.068807 NA MeJP NA NA +MJ003230 3-Aminopentanedioic acid; N-Me C6H11NO4 161.068807 NA MeJP NA NA +MJ003231 4,5-Dihydroxy-2-piperidinecarboxylic acid C6H11NO4 161.068807 NA MeJP NA NA +MJ003232 4-Hydroxy-5-hydroxymethyl-2-pyrrolidinecarboxylic acid C6H11NO4 161.068807 NA MeJP NA NA +MJ003233 5-Amino-6-hydroxy-4-oxohexanoic acid C6H11NO4 161.068807 NA MeJP NA NA +MetaCyc01175 L-2-aminohexanedioate [] C6H11N1O4 161.068808 NA metacyc NA NA +MetaCyc01176 O-acetyl-L-homoserine [acetylhomoserine;O-acetylhomoserine;] C6H11N1O4 161.068808 NA metacyc NA NA +MetaCyc01177 α-aminoadipate [L-α-aminoadipate;L-α-aminoadipic acid;L-2-aminoadipic acid;L-2-aminoadipate;] C6H11N1O4 161.068808 542-32-5 metacyc NA NA +MetaCyc01178 N-methyl-L-glutamate [N-methyl-L-glutamic acid;] C6H11N1O4 161.068808 NA metacyc NA NA +MetaCyc01179 2-aminoadipate [2-aminoadipic acid;] C6H11N1O4 161.068808 542-32-5 metacyc NA NA +HMDB00510 Aminoadipic acid C6H11NO4 161.06882 http://www.hmdb.ca/metabolites/HMDB00510 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00510 Aminoadipic acid C6H11NO4 161.06882 http://www.hmdb.ca/metabolites/HMDB00510 HMDB NA NA +HMDB00510 Aminoadipic acid C6H11NO4 161.06882 http://www.hmdb.ca/metabolites/HMDB00510 PFEM_hmdb_metabocards_blood NA blood +HMDB00510 Aminoadipic acid C6H11NO4 161.06882 HMDB00510 PFEM_hmdb_metabocards_official NA NA +CJneg0188 2-aminoadipic acid [(M-H)]- C6H10NO4 161.069325 C18rt(min)=1.05 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0188 2-aminoadipic acid [(M-H)]- C6H10NO4 161.069325 C18rt(min)=1.05 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ003234 5-Amino-1-phenyl-1H-tetrazole C7H7N5 161.070145 NA MeJP NA NA +CJneg0189 Pimelic acid / 3-methyladipic acid [(M-H)]- (13C) C613CH11O4 161.077425 C18rt(min)=5.77 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0189 Pimelic acid / 3-methyladipic acid [(M-H)]- (13C) C613CH11O4 161.077425 C18rt(min)=5.77 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ003235 4-Guanidino-3-hydroxybutanoic acid C5H11N3O3 161.080041 NA MeJP NA NA +MJ003236 Azoxybacilin C5H11N3O3 161.080041 NA MeJP NA NA +HMDB03447 Tryptophanol C10H11NO 161.08406 http://www.hmdb.ca/metabolites/HMDB03447 HMDB NA NA +HMDB03447 Tryptophanol C10H11NO 161.08406 HMDB03447 PFEM_hmdb_metabocards_official NA NA +HMDB03447 Tryptophanol C10H11NO 161.084061 NA HMDB2010 NA NA +MJ003237 2-Methyl-1H-indole-4-methanol C10H11NO 161.084063 NA MeJP NA NA +MJ003238 3-(2-Hydroxyethyl)indole C10H11NO 161.084063 NA MeJP NA NA +MJ003239 3-(2-Methylphenyl)-2-propenoic acid, Amide C10H11NO 161.084063 NA MeJP NA NA +MJ003240 Abikoviromycin C10H11NO 161.084063 NA MeJP NA NA +MJ003241 Boschniakine C10H11NO 161.084063 NA MeJP NA NA +MJ003242 Pedicularidine C10H11NO 161.084063 NA MeJP NA NA +MJ003243 Pediculine C10H11NO 161.084063 NA MeJP NA NA +MJ003244 Indole-3-ethanol C10H11NO 161.084064 NA MeJP NA NA +MetaCyc01180 indole-3-ethanol [Tryptophol;] C10H11N1O1 161.084064 526-55-6 metacyc NA NA +C00955 Indole-3-ethanol C10H11NO 161.0841 NA KEGG NA NA +C09915 Boschniakine C10H11NO 161.0841 NA KEGG NA NA +C17246 6-Methylthiohexanaldoxime C7H15NOS 161.0874 NA KEGG NA NA +MJ003245 Dimaprit C6H15N3S 161.098668 NA MeJP NA NA +C17930 Dimaprit C6H15N3S 161.0987 NA KEGG NA NA +JH053 Carnitine (D-) C17H15NO3 161.1011 Rtobs1.19 PFEM_hmdb_metabocards_urine NA urine +JH053 Carnitine (D-) [M+H]+ C17H15NO3 161.1011 1.19 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH053 Carnitine (D-) C17H15NO3 161.1011 Rtobs1.19 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH053 Carnitine (D-) [M+H]+ C17H15NO3 161.1011 1.19 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH053 Carnitine (D-) C17H15NO3 161.1011 Rtobs1.19 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH053 Carnitine (D-) [M+H]+ C17H15NO3 161.1011 1.19 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH053 Carnitine (D-) C17H15NO3 161.1011 Rtobs1.19 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH053 Carnitine (D-) C17H15NO3 161.1011 Rtobs1.19 HMDB NA NA +JH053 Carnitine (D-) C17H15NO3 161.1011 Rtobs1.19 Inhouse_PFEM NA NA +JH053 Carnitine (D-) [M+H]+ C17H15NO3 161.1011 1.19 Inhousejuil11 NA NA +JH053 Carnitine (D-) C17H15NO3 161.1011 Rtobs1.19 PFEM_hmdb_metabocards_blood NA blood +JH053 Carnitine (D-) C17H15NO3 161.1011 Rtobs1.19 PFEM_hmdb_metabocards_official NA NA +EUR236 Carnitine F1 C7H15NO3 161.102475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR236 Carnitine F1 NA 161.102475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR236 Carnitine F1 C7H15NO3 161.102475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR236 Carnitine F1 NA 161.102475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR236 Carnitine F1 C7H15NO3 161.102475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR236 Carnitine F1 NA 161.102475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR236 Carnitine F1 C7H15NO3 161.102475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR236 Carnitine F1 C7H15NO3 161.102475 standards wishlist analysés sur QTOF HMDB NA NA +EUR236 Carnitine F1 C7H15NO3 161.102475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR236 Carnitine F1 NA 161.102475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR236 Carnitine F1 C7H15NO3 161.102475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR236 Carnitine F1 C7H15NO3 161.102475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0360 Carnitine (and isomer) [(M+H)]+ C7H16NO3 161.104675 C18rt(min)=0.95 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0360 Carnitine (and isomer) [(M+H)]+ C7H16NO3 161.104675 C18rt(min)=0.95 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +EUR552 carnitine [M+H]+ 161.105175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR552 carnitine [M+H]+ 161.105175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR552 carnitine [M+H]+ 161.105175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR552 carnitine [M+H]+ 161.105175 identifies dans serum NuGO Inhousejuil11 NA NA +HMDB00062 L-Carnitine C7H15NO3 161.10519 http://www.hmdb.ca/metabolites/HMDB00062 PFEM_hmdb_metabocards_urine NA urine +HMDB00062 L-Carnitine C7H15NO3 161.10519 http://www.hmdb.ca/metabolites/HMDB00062 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00062 L-Carnitine C7H15NO3 161.10519 http://www.hmdb.ca/metabolites/HMDB00062 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00062 L-Carnitine C7H15NO3 161.10519 http://www.hmdb.ca/metabolites/HMDB00062 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00062 L-Carnitine C7H15NO3 161.10519 http://www.hmdb.ca/metabolites/HMDB00062 HMDB NA NA +HMDB00062 L-Carnitine C7H15NO3 161.10519 Long chain acyl carnitines ;SYN:(-)-Stearoylcarnitine; (R)-3-carboxy-N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-1-Propanaminium inner salt; (R)-Stearoylcarnitine; L-(3-carboxy-2-hydroxypropyl)trimethyl-Ammonium stearate hydroxide inner salt; L-Stearic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; L-Stearoylcarnitine; Stearoyl-L-carnitine; Stearoylcarnitine;acylcarnitine C18:0;Octadecanoylcarnitine; Octadecanoyl-L-carnitineH2Blood; Urine Inhouse_peptide NA peptide +HMDB00062 L-Carnitine C7H15NO3 161.10519 http://www.hmdb.ca/metabolites/HMDB00062 PFEM_hmdb_metabocards_blood NA blood +HMDB00062 L-Carnitine C7H15NO3 161.10519 HMDB00062 PFEM_hmdb_metabocards_official NA NA +MJ003246 3-Amino-2,3,6-trideoxy-3-C-methyl-lyxo-hexose C7H15NO3 161.105193 NA MeJP NA NA +MJ003247 3-Amino-2,3,6-trideoxy-3-C-methyl-xylo-hexose; L-Pyranose-form C7H15NO3 161.105193 NA MeJP NA NA +MJ003248 3-Amino-2,3,6-trideoxy-arabino-hexose, 4-Me C7H15NO3 161.105193 NA MeJP NA NA +MJ003249 3-Amino-2-hydroxy-5-methylhexanoic acid C7H15NO3 161.105193 NA MeJP NA NA +MJ003250 3-Hydroxy-2-(hydroxymethyl)pyrrolidine, N-(2-Hydroxyethyl) C7H15NO3 161.105193 NA MeJP NA NA +MJ003251 4-Amino-2,4,6-trideoxy-3-O-methyl-ribo-hexose C7H15NO3 161.105193 NA MeJP NA NA +MJ003252 4-Amino-2,4,6-trideoxy-3-O-methyl-xylo-hexose C7H15NO3 161.105193 NA MeJP NA NA +MJ003253 4-Amino-2,4,6-trideoxy-arabino-hexose, 3-Me C7H15NO3 161.105193 NA MeJP NA NA +MJ003254 Carnitine C7H15NO3 161.105193 NA MeJP NA NA +MJ003255 Eremosamine C7H15NO3 161.105193 NA MeJP NA NA +MetaCyc01181 D-carnitine [S-(+)-3-hydroxy-4-trimethylaminobutyrate;carnitine (D-form);(S)-carnitine;] C7H15N1O3 161.105193 541-14-0 metacyc NA NA +MetaCyc01182 L-carnitine [γ-Trimethyl-hydroxybutyrobetaine;3-hydroxy-4-trimethylammoniobutanoate;R-(-)-3-hydroxy-4-trimethylaminobutyrate;vitamin B T;bicarnesine;(S)-carnitine;L-γ-trimethyl-β-hydroxybutyrobetaine;vitamin BT;3-carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium;] C7H15N1O3 161.105193 541-15-1 metacyc NA NA +LABER031 Carnitine C7H15NO3 161.105194 RT 2 162, 103, 58, 60, 85 PFEM_hmdb_metabocards_urine NA urine +LABER031 Carnitine C7H15NO3 161.105194 RT 2 162, 103, 58, 60, 85 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER031 Carnitine C7H15NO3 161.105194 RT 2 162, 103, 58, 60, 85 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER031 Carnitine C7H15NO3 161.105194 RT 2 162, 103, 58, 60, 85 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER031 Carnitine C7H15NO3 161.105194 RT 2 162, 103, 58, 60, 85 HMDB NA NA +HMDB00062 L-Carnitine C7H15NO3 161.105194 NA HMDB2010 NA NA +LABER031 Carnitine C7H15NO3 161.105194 RT 2 162, 103, 58, 60, 85 Inhouse_PFEM NA NA +LABER031 Carnitine C7H15NO3 161.105194 RT 2 162, 103, 58, 60, 85 Inhousejuil11 NA NA +LABER031 Carnitine C7H15NO3 161.105194 RT 2 162, 103, 58, 60, 85 PFEM_hmdb_metabocards_blood NA blood +LABER031 Carnitine C7H15NO3 161.105194 RT 2 162, 103, 58, 60, 85 PFEM_hmdb_metabocards_official NA NA +EUR050 Carnitine C7H15NO3 161.1052 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR050 Carnitine C7H15NO3 161.1052 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR050 Carnitine C7H15NO3 161.1052 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR050 Carnitine C7H15NO3 161.1052 Wishlist Inhousejuil11 NA NA +C00318 L-Carnitine C7H15NO3 161.1052 NA KEGG NA NA +C15025 (S)-Carnitine C7H15NO3 161.1052 NA KEGG NA NA +HMDB01010 Nicotine imine C10H13N2 161.10786 http://www.hmdb.ca/metabolites/HMDB01010 HMDB NA NA +HMDB01010 Nicotine imine C10H13N2 161.10786 HMDB01010 PFEM_hmdb_metabocards_official NA NA +MetaCyc01183 nicotine-Δ1'5'-iminium ion [nicotine imine;(S)-1-(methylene-11C)-2-(3-pyridinyl)pyrrolidinium;11C-nicotine imine;nicotine iminium;pyrrolidium, 1-(methylene-11C)-2-(3-pyridinyl)-, (S)-;] C10H13N2 161.107873 NA metacyc NA NA +HMDB01010 Nicotine imine C10H13N2 161.10788 NA HMDB2010 NA NA +MJ003256 1,2,3,4-Tetrahydroquinoline; N-Et C11H15N 161.120449 NA MeJP NA NA +MJ003257 1-Phenyl-4-penten-2-amine C11H15N 161.120449 NA MeJP NA NA +MJ003258 2,3-Dihydro-2-methyl-1H-indene-2-methanamine C11H15N 161.120449 NA MeJP NA NA +MJ003259 2-Phenylcyclopentylamine C11H15N 161.120449 NA MeJP NA NA +MJ003260 5,6,7,8-Tetrahydro-2,4-dimethylquinoline C11H15N 161.120449 NA MeJP NA NA +MJ003261 5,6,7,8-Tetrahydro-2,5-dimethylquinoline C11H15N 161.120449 NA MeJP NA NA +HMDB06078 Putreanine C7H17N2O2 161.128998 NA HMDB2010 NA NA +C02290 L-Carnitinamide C7H17N2O2 161.129 NA KEGG NA NA +C06850 Bethanechol C7H17N2O2 161.129 NA KEGG NA NA +C06851 Transferred to D00245 C7H17N2O2 161.129 NA KEGG NA NA +MetaCyc01184 L-Carnitinamide [] C7H17N2O2 161.129003 NA metacyc NA NA +8022 synthetic peptide PHA 161.5735 MH2+ Inhouse_peptide NA peptide +MJ003262 Bromodichloromethane CHBrCl2 161.863868 NA MeJP NA NA +C14708 Bromodichloromethane CHBrCl2 161.8639 NA KEGG NA NA +MetaCyc01185 MoO42- [molybdate;molybdate ion;MoO4-2;] O4MO1 161.885066 NA metacyc NA NA +MetaCyc01186 tellurite [TeO2;] O2TE1 161.896052 NA metacyc NA NA +HMDB12288 Tellurite O2Te 161.896057 NA HMDB2010 NA NA +HMDB03840 Phosphoroselenoic acid H3O3PSe 161.898499 NA HMDB2010 NA NA +HMDB03840 Phosphoroselenoic acid H3O3PSe 161.8985 http://www.hmdb.ca/metabolites/HMDB03840 HMDB NA NA +C05172 Selenophosphate PH3SeO3 161.8985 NA KEGG NA NA +HMDB03840 Phosphoroselenoic acid H3O3PSe 161.8985 HMDB03840 PFEM_hmdb_metabocards_official NA NA +MJ003263 Selenophosphate H3O3PSe 161.898502 NA MeJP NA NA +MetaCyc01187 selenophosphate [SePO3;] H3O3P1SE1 161.898502 16561-29-8 metacyc NA NA +MJ003264 Sodium chromate(VI) (Na2CrO4) CrNa2O4 161.899709 NA MeJP NA NA +C11150 Trichloroacetate C2HCl3O2 161.9042 NA KEGG NA NA +MJ003265 1,1,3-Trichloro-2-propanol C3H5Cl3O 161.940597 NA MeJP NA NA +C02625 2,4-Dichlorophenol C6H4Cl2O 161.9639 NA KEGG NA NA +C06602 2,5-Dichlorophenol C6H4Cl2O 161.9639 NA KEGG NA NA +C07096 2,6-Dichlorophenol C6H4Cl2O 161.9639 NA KEGG NA NA +C14462 3,4-Dichlorophenol C6H4Cl2O 161.9639 NA KEGG NA NA +HMDB04811 2,4-Dichlorophenol C6H4Cl2O 161.96391 http://www.hmdb.ca/metabolites/HMDB04811 PFEM_hmdb_metabocards_urine NA urine +HMDB04811 2,4-Dichlorophenol C6H4Cl2O 161.96391 http://www.hmdb.ca/metabolites/HMDB04811 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04811 2,4-Dichlorophenol C6H4Cl2O 161.96391 http://www.hmdb.ca/metabolites/HMDB04811 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04811 2,4-Dichlorophenol C6H4Cl2O 161.96391 http://www.hmdb.ca/metabolites/HMDB04811 HMDB NA NA +HMDB04811 2,4-Dichlorophenol C6H4Cl2O 161.96391 HMDB04811 PFEM_hmdb_metabocards_official NA NA +HMDB04811 2,4-Dichlorophenol C6H4Cl2O 161.963913 NA HMDB2010 NA NA +MJ003266 2,6-Dichlorophenol C6H4Cl2O 161.96392 NA MeJP NA NA +MJ003267 2,4-Dichlorophenol C6H4Cl2O 161.96392 NA MeJP NA NA +MJ003268 2,5-Dichlorophenol C6H4Cl2O 161.96392 NA MeJP NA NA +MJ003269 2,6-Dichlorophenol C6H4Cl2O 161.96392 NA MeJP NA NA +MetaCyc01188 2,5-dichlorophenol [2,5-DCP;] C6H4O1CL2 161.96392 583-78-8 metacyc NA NA +MetaCyc01189 2,4-dichlorophenol [] C6H4O1CL2 161.96392 120-83-2 metacyc NA NA +MJ003270 5-Chlorobarbituric acid C4H3ClN2O3 161.983219 NA MeJP NA NA +C14700 2-Chloro-1,1,2-trifluoroethyl ethyl ether C4H6ClF3O 162.0059 NA KEGG NA NA +MJ003271 5-(Chloromethyl)-5-hydroxy-3-methyl-2(5H)-furanone C6H7ClO3 162.008371 NA MeJP NA NA +MJ003272 Aluminium diacetate monohydroxide C4H7AlO5 162.010886 NA MeJP NA NA +MJ003273 5-(2-Thienyl)-2-penten-4-ynal C9H6OS 162.013935 NA MeJP NA NA +C01127 4-Hydroxy-2-oxoglutarate C5H6O6 162.0164 NA KEGG NA NA +C01128 Complement component C3b C5H6O6 162.0164 NA KEGG NA NA +C01129 Complement component C4b C5H6O6 162.0164 NA KEGG NA NA +C05946 D-4-Hydroxy-2-oxoglutarate C5H6O6 162.0164 NA KEGG NA NA +HMDB02070 4-Hydroxy-2-oxoglutaric acid C5H6O6 162.01643 http://www.hmdb.ca/metabolites/HMDB02070 HMDB NA NA +HMDB02070 4-Hydroxy-2-oxoglutaric acid C5H6O6 162.01643 HMDB02070 PFEM_hmdb_metabocards_official NA NA +HMDB02070 4-Hydroxy-2-oxoglutaric acid C5H6O6 162.016434 NA HMDB2010 NA NA +MJ003274 4-Hydroxy-2-oxoglutarate C5H6O6 162.016437 NA MeJP NA NA +MJ003275 D-4-Hydroxy-2-oxoglutarate C5H6O6 162.016437 NA MeJP NA NA +MJ003276 2-Hydroxy-4-oxopentanedioic acid C5H6O6 162.016437 NA MeJP NA NA +MetaCyc01190 D-4-hydroxy-2-keto-glutarate [4-hydroxy-2-oxoglutarate;D-4-hydroxy-2-ketoglutarate;2-k-4-OH-glutarate;2-keto-4-hydroxyglutarate;2-Oxo-4-hydroxyglutarate;4-hydroxy-2-ketoglutarate;] C5H6O6 162.016438 1187-99-1 metacyc NA NA +CJneg0190 Fumaric acid [(M-H)+(HCOOH)]- C5H5O6 162.017025 C18rt(min)=1.1 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0190 Fumaric acid [(M-H)+(HCOOH)]- C5H5O6 162.017025 C18rt(min)=1.1 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C07600 Allicin C6H10OS2 162.0173 NA KEGG NA NA +MJ003277 1-Propenyl 2-propenyl disulfide, 4-Oxide C6H10OS2 162.017306 NA MeJP NA NA +MJ003278 1-Propenyl 2-propenyl disulfide, 5-Oxide C6H10OS2 162.017306 NA MeJP NA NA +MJ003279 1-Propenyl 2-propenyl disulfide, 4-Oxide C6H10OS2 162.017306 NA MeJP NA NA +MJ003280 1-Propenyl 2-propenyl disulfide, 5-Oxide C6H10OS2 162.017306 NA MeJP NA NA +MJ003281 2,3-Dimethyl-5,6-dithiabicyclo[2.1.1]hexane, 5?-Oxide C6H10OS2 162.017306 NA MeJP NA NA +MJ003282 Allicin C6H10OS2 162.017306 NA MeJP NA NA +MJ003283 1-Piperazinecarbodithioic acid C5H10N2S2 162.028539 NA MeJP NA NA +JH225 Chlorogenic acid N/A NA 162.0298 11.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH225 Chlorogenic acid N/A NA 162.0298 11.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH225 Chlorogenic acid N/A NA 162.0298 11.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH225 Chlorogenic acid N/A NA 162.0298 11.5 Inhousejuil11 NA NA +JH098 Caffeic acid [M+H-H20]+ NA 162.0311 12.21 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH098 Caffeic acid [M+H-H20]+ NA 162.0311 12.21 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH098 Caffeic acid [M+H-H20]+ NA 162.0311 12.21 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH098 Caffeic acid [M+H-H20]+ NA 162.0311 12.21 Inhousejuil11 NA NA +HMDB02149 3 hydroxycoumarin C9H6O3 162.03169 http://www.hmdb.ca/metabolites/HMDB02149 HMDB NA NA +HMDB02149 3 hydroxycoumarin C9H6O3 162.03169 HMDB02149 PFEM_hmdb_metabocards_official NA NA +HMDB02149 3 Hydroxycoumarin C9H6O3 162.031693 NA HMDB2010 NA NA +MJ003284 3-Hydroxy-2H-1-benzopyran-2-one C9H6O3 162.031694 NA MeJP NA NA +MJ003285 4-Hydroxy-2H-1-benzopyran-2-one C9H6O3 162.031694 NA MeJP NA NA +MJ003286 5-Benzofurancarboxylic acid C9H6O3 162.031694 NA MeJP NA NA +MJ003287 5-Hydroxy-2H-1-benzopyran-2-one C9H6O3 162.031694 NA MeJP NA NA +MJ003288 6-Hydroxy-2H-1-benzopyran-2-one C9H6O3 162.031694 NA MeJP NA NA +MJ003289 7-Hydroxy-2H-1-benzopyran-2-one C9H6O3 162.031694 NA MeJP NA NA +MJ003290 8-Hydroxy-1H-2-benzopyran-1-one C9H6O3 162.031694 NA MeJP NA NA +MJ003291 8-Hydroxy-2H-1-benzopyran-2-one C9H6O3 162.031694 NA MeJP NA NA +MJ003292 9-Hydroxy-2,4,6-nonatriynoic acid C9H6O3 162.031694 NA MeJP NA NA +C09315 Umbelliferone C9H6O3 162.0317 NA KEGG NA NA +HMDB12134 1,2-Dihydroxy-3-keto-5-methylthiopentene C6H10O3S 162.035065 NA HMDB2010 NA NA +MetaCyc01191 1,2-dihydroxy-3-keto-5-methylthiopentene [1,2-dihydroxy-3-keto-5-methylthiopentene anion;1,2-dihydroxy-3-keto-5-methylthiopentane;] C6H10O3S1 162.035065 NA metacyc NA NA +MetaCyc01192 2-oxo-5-methylthiopentanoic-acid [] C6H10O3S1 162.035065 NA metacyc NA NA +C15606 1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one C6H10O3S 162.0351 NA KEGG NA NA +C17211 2-Oxo-5-methylthiopentanoic acid C6H10O3S 162.0351 NA KEGG NA NA +CJpos0361 Nicotinuric acid isomer [(M+H)-(H2O)]+ C8H7N2O2 162.042375 C18rt(min)=5.31 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0361 Nicotinuric acid isomer [(M+H)-(H2O)]+ C8H7N2O2 162.042375 C18rt(min)=5.31 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ003293 2,4(1H,3H)-Quinazolinedione C8H6N2O2 162.042927 NA MeJP NA NA +MJ003294 2-(2-Hydroxyphenyl)-1,3,4-oxadiazole C8H6N2O2 162.042927 NA MeJP NA NA +C11196 Methomyl C5H10N2O2S 162.0463 NA KEGG NA NA +C11197 Transferred to D01051 C5H10N2O2S 162.0463 NA KEGG NA NA +MJ003295 1-Tridecene-3,5,7,9,11-pentayne C13H6 162.04695 NA MeJP NA NA +C08464 Tridec-1-ene-3,5,7,9,11-pentayne C13H6 162.047 NA KEGG NA NA +CJpos0362 3-indole carboxylic acid glucuronide [(M+H)-(C6H8O6)]+ (13C) C813CH8NO2 162.050475 C18rt(min)=6.2 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0362 3-indole carboxylic acid glucuronide [(M+H)-(C6H8O6)]+ (13C) C813CH8NO2 162.050475 C18rt(min)=6.2 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C00478 Lichenin C6H10O5 162.0528 NA KEGG NA NA +C01088 (R)-3,3-Dimethylmalate C6H10O5 162.0528 NA KEGG NA NA +C01989 3-Ethylmalate C6H10O5 162.0528 NA KEGG NA NA +C02360 2-Hydroxyadipate C6H10O5 162.0528 NA KEGG NA NA +C02488 (R)-2-Ethylmalate C6H10O5 162.0528 NA KEGG NA NA +C02489 (R)-2-Hydroxyacid C2H3O3R 162.0528 NA KEGG NA NA +C02490 1,2-beta-D-Glucan OH 162.0528 NA KEGG NA NA +C02492 1,4-beta-D-Mannan OH 162.0528 NA KEGG NA NA +C02493 1,6-beta-D-Glucan C12H22O11 162.0528 NA KEGG NA NA +C02991 L-Rhamnono-1,4-lactone C6H10O5 162.0528 NA KEGG NA NA +C02992 L-Threonyl-tRNA(Thr) C14H24NO12PR2 162.0528 NA KEGG NA NA +C03652 (2R,3S)-2,3-Dimethylmalate C6H10O5 162.0528 NA KEGG NA NA +C03761 3-Hydroxy-3-methylglutarate C6H10O5 162.0528 NA KEGG NA NA +C03827 2-Dehydro-3-deoxy-L-fuconate C6H10O5 162.0528 NA KEGG NA NA +C03979 2-Dehydro-3-deoxy-L-rhamnonate C6H10O5 162.0528 NA KEGG NA NA +C06158 D-Fucono-1,4-lactone C6H10O5 162.0528 NA KEGG NA NA +C06159 2-Dehydro-3-deoxy-D-fuconate C6H10O5 162.0528 NA KEGG NA NA +C06474 3,6-Anhydrogalactose C6H10O5 162.0528 NA KEGG NA NA +C06478 3,6-Anhydroglucose C6H10O5 162.0528 NA KEGG NA NA +C06479 Ketosteroid C6H10O5 162.0528 NA KEGG NA NA +C06481 L-Seryl-tRNA(Sec) C13H22NO12PR2 162.0528 NA KEGG NA NA +C06482 L-Selenocysteinyl-tRNA(Sec) C13H22NO11PSeR2 162.0528 NA KEGG NA NA +C06483 N-Acetyl-alpha-D-galactosaminyl-(1,3)-[alpha-L-fucosyl-(1,2)]-D- C20H34NO15R 162.0528 NA KEGG NA NA +C06485 1,5-Anhydro-D-fructose C6H10O5 162.0528 NA KEGG NA NA +C11592 Diethyl pyrocarbonate C6H10O5 162.0528 NA KEGG NA NA +C16390 (S)-2-(Hydroxymethyl)glutarate C6H10O5 162.0528 NA KEGG NA NA +C17209 2-Deoxy-scyllo-inosose C6H10O5 162.0528 NA KEGG NA NA +C18028 L-Fucono-1,5-lactone C6H10O5 162.0528 NA KEGG NA NA +MJ003296 (R)-3,3-Dimethylmalate C6H10O5 162.052823 NA MeJP NA NA +MJ003297 2,3-Dimethylmalate C6H10O5 162.052823 NA MeJP NA NA +MJ003298 D-Fucono-1,4-lactone C6H10O5 162.052823 NA MeJP NA NA +MJ003299 L-Rhamno-1,4-lactone C6H10O5 162.052823 NA MeJP NA NA +MJ003300 (R)-2-Ethylmalate C6H10O5 162.052823 NA MeJP NA NA +MJ003301 2-Dehydro-3-deoxy-D-fuconate C6H10O5 162.052823 NA MeJP NA NA +MJ003302 2-Dehydro-3-deoxy-L-rhamnonate C6H10O5 162.052823 NA MeJP NA NA +MJ003303 3-Ethylmalate C6H10O5 162.052823 NA MeJP NA NA +MJ003304 1,5-Anhydrofructose C6H10O5 162.052823 NA MeJP NA NA +MJ003305 1,6-Anhydromannose C6H10O5 162.052823 NA MeJP NA NA +MJ003306 2,5-Anhydroidose C6H10O5 162.052823 NA MeJP NA NA +MJ003307 3,6-Anhydrogalactose C6H10O5 162.052823 NA MeJP NA NA +MJ003308 3-Hydroxy-3-methylpentanedioic acid C6H10O5 162.052823 NA MeJP NA NA +MJ003309 6-Deoxy-arabino-hexos-5-ulose C6H10O5 162.052823 NA MeJP NA NA +MJ003310 6-Deoxy-lyxo-hexos-2-ulose C6H10O5 162.052823 NA MeJP NA NA +MJ003311 6-Deoxymannonic acid, 1,4-Lactone C6H10O5 162.052823 NA MeJP NA NA +MJ003312 Cellulose C6H10O5 162.052823 NA MeJP NA NA +MJ003313 Glycogen C6H10O5 162.052823 NA MeJP NA NA +MJ003314 Laminarin; Insoluble-form C6H10O5 162.052823 NA MeJP NA NA +MJ003315 Laminarin; Soluble-form C6H10O5 162.052823 NA MeJP NA NA +MJ003316 Lichenan C6H10O5 162.052823 NA MeJP NA NA +MJ003317 Mannan C6H10O5 162.052823 NA MeJP NA NA +MJ003318 Streptose C6H10O5 162.052823 NA MeJP NA NA +MJ003319 Tetrahydro-5,5-dihydroxy-2-(hydroxymethyl)-4H-pyran-4-one C6H10O5 162.052823 NA MeJP NA NA +MetaCyc01193 L-rhamno-1,4-lactone [] C6H10O5 162.052823 NA metacyc NA NA +MetaCyc01194 diethylpyrocarbonate [DEPC;] C6H10O5 162.052823 NA metacyc NA NA +MetaCyc01195 2-dehydro-3-deoxy-l-rhamnonate [] C6H10O5 162.052823 NA metacyc NA NA +MetaCyc01196 2-dehydro-3-deoxy-L-fuconate [] C6H10O5 162.052823 NA metacyc NA NA +MetaCyc01197 (R)-2-Ethylmalate [] C6H10O5 162.052823 NA metacyc NA NA +MetaCyc01198 2,3-dimethylmalate [] C6H10O5 162.052823 31519-20-7 metacyc NA NA +MetaCyc01199 (2R,3S)-2,3-dimethylmalate [] C6H10O5 162.052823 73522-92-6 metacyc NA NA +MetaCyc01200 3-hydroxy-3-methylglutarate [3-hydorxy-3-methylglutaric acid;β-Hydroxy-β-methylglutaric acid;dicrotalic acid;3-hydroxy-3-methylpentanedioic acid;] C6H10O5 162.052823 503-49-1 metacyc NA NA +MetaCyc01201 (S)-3-Hydroxy-3-methylglutarate [(S)-3-Hydroxy-3-methylglutaric acid;(S)-Meglutol;] C6H10O5 162.052823 NA metacyc NA NA +MetaCyc01202 2-hydroxyadipate [] C6H10O5 162.052823 NA metacyc NA NA +MetaCyc01203 3-ethylmalate [] C6H10O5 162.052823 NA metacyc NA NA +MetaCyc01204 (R)-3,3-Dimethylmalate [] C6H10O5 162.052823 NA metacyc NA NA +MetaCyc01205 2-dehydro-3-deoxy-D-fuconate [] C6H10O5 162.052823 35902-09-1 metacyc NA NA +HMDB00321 2-Hydroxyadipic acid C6H10O5 162.052826 NA HMDB2010 NA NA +HMDB00345 3-Hydroxyadipic acid C6H10O5 162.052826 NA HMDB2010 NA NA +HMDB00355 3-Hydroxymethylglutaric acid C6H10O5 162.052826 NA HMDB2010 NA NA +HMDB00368 2(R)-Hydroxyadipic acid C6H10O5 162.052826 NA HMDB2010 NA NA +HMDB00640 Glucosan C6H10O5 162.052826 NA HMDB2010 NA NA +HMDB00321 2-Hydroxyadipic acid C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB00321 PFEM_hmdb_metabocards_urine NA urine +HMDB00345 3-Hydroxyadipic acid C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB00345 PFEM_hmdb_metabocards_urine NA urine +HMDB00355 3-Hydroxymethylglutaric acid C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB00355 PFEM_hmdb_metabocards_urine NA urine +HMDB00640 Glucosan C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB00640 PFEM_hmdb_metabocards_urine NA urine +HMDB00321 2-Hydroxyadipic acid C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB00321 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00345 3-Hydroxyadipic acid C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB00345 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00355 3-Hydroxymethylglutaric acid C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB00355 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00640 Glucosan C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB00640 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00321 2-Hydroxyadipic acid C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB00321 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00345 3-Hydroxyadipic acid C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB00345 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00355 3-Hydroxymethylglutaric acid C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB00355 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00640 Glucosan C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB00640 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00321 2-Hydroxyadipic acid C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB00321 HMDB NA NA +HMDB00345 3-Hydroxyadipic acid C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB00345 HMDB NA NA +HMDB00355 3-Hydroxymethylglutaric acid C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB00355 HMDB NA NA +HMDB00368 2(R)-Hydroxyadipic acid C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB00368 HMDB NA NA +HMDB00640 Glucosan C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB00640 HMDB NA NA +HMDB06798 1,4-beta-D-Mannan C6H10O5 162.05283 http://www.hmdb.ca/metabolites/HMDB06798 HMDB NA NA +HMDB00321 2-Hydroxyadipic acid C6H10O5 162.05283 HMDB00321 PFEM_hmdb_metabocards_official NA NA +HMDB00345 3-Hydroxyadipic acid C6H10O5 162.05283 HMDB00345 PFEM_hmdb_metabocards_official NA NA +HMDB00355 3-Hydroxymethylglutaric acid C6H10O5 162.05283 HMDB00355 PFEM_hmdb_metabocards_official NA NA +HMDB00368 2(R)-Hydroxyadipic acid C6H10O5 162.05283 HMDB00368 PFEM_hmdb_metabocards_official NA NA +HMDB00640 Glucosan C6H10O5 162.05283 HMDB00640 PFEM_hmdb_metabocards_official NA NA +HMDB06798 1,4-beta-D-Mannan C6H10O5 162.05283 HMDB06798 PFEM_hmdb_metabocards_official NA NA +7607 ACE inhibitor GS 162.053 antioxidative Inhouse_peptide NA peptide +7618 ACE inhibitor SG 162.053 antioxidative Inhouse_peptide NA peptide +MJ003320 1-Methylpropyl 1-propenyl disulfide C7H14S2 162.053691 NA MeJP NA NA +MJ003321 4-Hydroxyglutamine C5H10N2O4 162.064056 NA MeJP NA NA +PJ000018 GS C5H10N2O4 162.0641 NA PeJP NA NA +MJ003322 2,3-Dihydro-2-hydroxy-6-methyl-3-methylenebenzofuran C10H10O2 162.068079 NA MeJP NA NA +MJ003323 2,8-Decadiene-4,6-diyne-1,10-diol C10H10O2 162.068079 NA MeJP NA NA +MJ003324 2-(2,4-Hexadiynylidene)tetrahydro-3-furanol C10H10O2 162.068079 NA MeJP NA NA +MJ003325 3,4-Dihydro-4-hydroxy-1(2H)-naphthalenone C10H10O2 162.068079 NA MeJP NA NA +MJ003326 3-(2-Hydroxyphenyl)-2-propenal, Me ether C10H10O2 162.068079 NA MeJP NA NA +MJ003327 3-(4-Hydroxyphenyl)-2-propenal, Me ether C10H10O2 162.068079 NA MeJP NA NA +MJ003328 3-Phenyl-2-propenoic acid, Me ester C10H10O2 162.068079 NA MeJP NA NA +MJ003329 4,5-Decadiene-7,9-diyne-1,3-diol C10H10O2 162.068079 NA MeJP NA NA +MJ003330 4,6,8-Decatriyne-1,2-diol C10H10O2 162.068079 NA MeJP NA NA +MJ003331 4,6,8-Decatriyne-1,3-diol C10H10O2 162.068079 NA MeJP NA NA +MJ003332 4-(4-Hydroxyphenyl)-3-buten-2-one C10H10O2 162.068079 NA MeJP NA NA +MJ003333 4-Hydroxy-7-methyl-1-indanone C10H10O2 162.068079 NA MeJP NA NA +MJ003334 5-(2-Hexynylidene)-2(5H)-furanone C10H10O2 162.068079 NA MeJP NA NA +MJ003335 6-Methyl-3-benzofuranmethanol C10H10O2 162.068079 NA MeJP NA NA +MJ003336 ?-Dolabrin C10H10O2 162.068079 NA MeJP NA NA +MJ003337 Cleviolide C10H10O2 162.068079 NA MeJP NA NA +MJ003338 Isosafrole C10H10O2 162.068079 NA MeJP NA NA +MJ003339 Safrole C10H10O2 162.068079 NA MeJP NA NA +MJ003340 cis-1,2-Dihydronaphthalene-1,2-diol C10H10O2 162.068079 NA MeJP NA NA +HMDB02333 Safrole C10H10O2 162.06808 http://www.hmdb.ca/metabolites/HMDB02333 HMDB NA NA +MetaCyc01206 methylcinnamate [] C10H10O2 162.06808 NA metacyc NA NA +MetaCyc01207 cis-1,2-dihydronaphthalene-1,2-diol [(1R,2S)-1,2-dihydro-1,2-dihyroxynaphthalene;(1R,2S)-naphthalene-1,2-dihydrodiol;naphthalene dihydrodiol;cis-1,2-dihydroxy-1,2-dihydronaphthalene;(1R,2S)-1,2-Dihydronaphthalene-1,2-diol;3,4-dihydronaphthalene-3,4-diol;cis-1,2-dihydronaphthalene-1,2-diol;(1R, 2S)-1,2-Dihydronaphthalene-1,2-diol;] C10H10O2 162.06808 NA metacyc NA NA +HMDB02333 Safrole C10H10O2 162.06808 HMDB02333 PFEM_hmdb_metabocards_official NA NA +HMDB02333 Safrole C10H10O2 162.068085 NA HMDB2010 NA NA +C04314 cis-1,2-Dihydronaphthalene-1,2-diol C10H10O2 162.0681 NA KEGG NA NA +C04315 sn-3-D-Galactosyl-sn-2-acylglycerol C10H17O9R 162.0681 NA KEGG NA NA +C04514 (1S,2S)-1,2-Dihydronaphthalene-1,2-diol C10H10O2 162.0681 NA KEGG NA NA +C04515 (3S)-3-Hydroxyacyl-N-acylthioethanolamine C6H9NO3SR2 162.0681 NA KEGG NA NA +C06205 1,2-Dihydronaphthalene-1,2-diol C10H10O2 162.0681 NA KEGG NA NA +C06358 Methyl cinnamate C10H10O2 162.0681 NA KEGG NA NA +C10472 Isosafrole C10H10O2 162.0681 NA KEGG NA NA +C10475 p-Methoxycinnamaldehyde C10H10O2 162.0681 NA KEGG NA NA +C10490 Safrole C10H10O2 162.0681 NA KEGG NA NA +C12088 4-Hydroxycinnamoylmethane C10H10O2 162.0681 NA KEGG NA NA +C15419 trans-2-Phenylcyclopropanecarboxylic acid C10H10O2 162.0681 NA KEGG NA NA +MetaCyc01208 7-mercaptoheptanoate [7-mercaptoheptanoic acid;7-mercaptoheptanoate;] C7H14O2S1 162.07145 NA metacyc NA NA +C16593 7-Mercaptoheptanoic acid C7H14O2S 162.0715 NA KEGG NA NA +C13840 1-Ethyl-2-benzimidazolinone C9H10N2O 162.0793 NA KEGG NA NA +MJ003341 2-Amino-4,5-dihydro-5-phenyloxazole C9H10N2O 162.079312 NA MeJP NA NA +MJ003342 Jasminidine C9H10N2O 162.079312 NA MeJP NA NA +MetaCyc01209 norcotinine [demethylcotinine;] C9H10N2O1 162.079313 NA metacyc NA NA +HMDB01297 Norcotinine C9H10N2O 162.079315 NA HMDB2010 NA NA +HMDB01297 Norcotinine C9H10N2O 162.07932 http://www.hmdb.ca/metabolites/HMDB01297 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01297 Norcotinine C9H10N2O 162.07932 http://www.hmdb.ca/metabolites/HMDB01297 HMDB NA NA +HMDB01297 Norcotinine C9H10N2O 162.07932 http://www.hmdb.ca/metabolites/HMDB01297 PFEM_hmdb_metabocards_blood NA blood +HMDB01297 Norcotinine C9H10N2O 162.07932 HMDB01297 PFEM_hmdb_metabocards_official NA NA +C08234 beta-Cymaropyranose C7H14O4 162.0892 NA KEGG NA NA +C08237 beta-L-Oleandropyranose C7H14O4 162.0892 NA KEGG NA NA +MJ003343 2,3-Dihydroxy-2-isopropylbutanoic acid C7H14O4 162.089208 NA MeJP NA NA +MJ003344 2,6-Dideoxy-3-C-methyl-arabino-hexose C7H14O4 162.089208 NA MeJP NA NA +MJ003345 2,6-Dideoxy-3-C-methyl-ribo-hexose C7H14O4 162.089208 NA MeJP NA NA +MJ003346 2,6-Dideoxy-3-C-methyl-xylo-hexose C7H14O4 162.089208 NA MeJP NA NA +MJ003347 2,6-Dideoxy-3-O-methyl-lyxo-hexose C7H14O4 162.089208 NA MeJP NA NA +MJ003348 2,6-Dideoxy-lyxo-hexose, 4-Me C7H14O4 162.089208 NA MeJP NA NA +MJ003349 2,6-Dideoxy-ribo-hexose, 4-Me C7H14O4 162.089208 NA MeJP NA NA +MJ003350 2,6-Dideoxy-ribo-hexose; ?-L-Pyranose-form, Me glycoside C7H14O4 162.089208 NA MeJP NA NA +MJ003351 2,6-Dideoxy-xylo-hexose, 3-Me C7H14O4 162.089208 NA MeJP NA NA +MJ003352 3,6-Dideoxy-arabino-hexose; Me glycoside C7H14O4 162.089208 NA MeJP NA NA +MJ003353 4-(Hydroxymethy)l-1,2,3-cyclohexanetriol C7H14O4 162.089208 NA MeJP NA NA +MJ003354 Cymarose C7H14O4 162.089208 NA MeJP NA NA +MJ003355 Oleandrose C7H14O4 162.089208 NA MeJP NA NA +C01028 N6-Hydroxy-L-lysine C6H14N2O3 162.1004 NA KEGG NA NA +C02627 2-Deoxystreptamine C6H14N2O3 162.1004 NA KEGG NA NA +C16741 5-Hydroxy-L-lysine C6H14N2O3 162.1004 NA KEGG NA NA +C16742 allo-Hydroxy-L-lysine C6H14N2O3 162.1004 NA KEGG NA NA +HMDB00450 5-Hydroxylysine C6H14N2O3 162.10043 http://www.hmdb.ca/metabolites/HMDB00450 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00450 5-Hydroxylysine C6H14N2O3 162.10043 http://www.hmdb.ca/metabolites/HMDB00450 HMDB NA NA +HMDB00450 5-Hydroxylysine C6H14N2O3 162.10043 http://www.hmdb.ca/metabolites/HMDB00450 PFEM_hmdb_metabocards_blood NA blood +HMDB00450 5-Hydroxylysine C6H14N2O3 162.10043 HMDB00450 PFEM_hmdb_metabocards_official NA NA +MJ003356 N6-Hydroxy-L-lysine C6H14N2O3 162.100442 NA MeJP NA NA +MJ003357 Procollagen 5-hydroxy-L-lysine C6H14N2O3 162.100442 NA MeJP NA NA +MJ003358 1,3-Diamino-1,2,3-trideoxy-myo-inositol C6H14N2O3 162.100442 NA MeJP NA NA +MJ003359 2,4-Diamino-2,4,6-trideoxyglucose C6H14N2O3 162.100442 NA MeJP NA NA +MJ003360 2,6-Diamino-2,3,6-trideoxy-ribo-hexose C6H14N2O3 162.100442 NA MeJP NA NA +MJ003361 2,6-Diamino-5-hydroxyhexanoic acid C6H14N2O3 162.100442 NA MeJP NA NA +MJ003362 3,6-Diamino-4-hydroxyhexanoic acid C6H14N2O3 162.100442 NA MeJP NA NA +MJ003363 3,6-Diamino-5-hydroxyhexanoic acid C6H14N2O3 162.100442 NA MeJP NA NA +MJ003364 Lysine, N6-Hydroxy C6H14N2O3 162.100442 NA MeJP NA NA +MetaCyc01210 hydroxy-lysine [5-hydroxylysine;5-hydroxy-L-lysine;] C6H14N2O3 162.100442 NA metacyc NA NA +MetaCyc01211 N6-Hydroxy-L-lysine [] C6H14N2O3 162.100442 NA metacyc NA NA +MetaCyc01212 5-hydroxy-L-lysine [] C6H14N2O3 162.100442 NA metacyc NA NA +MetaCyc01213 L-erythro-5-hydroxy-lysine [δ-hydroxy-L-lysine;hydroxylysine;L-erythro-5-hydroxylysine;] C6H14N2O3 162.100442 28902-93-4 metacyc NA NA +HMDB00450 5-Hydroxylysine C6H14N2O3 162.100449 NA HMDB2010 NA NA +HMDB00450 5-Hydroxylysine C6H14N2O3 162.10045 NA ;SYN:2-(3-Pyridyl)acetate; 2-(3-Pyridyl)acetic acid; 2-(Pyridin-3-yl)acetate; 2-(Pyridin-3-yl)acetic acid; 3-Carboxymethylpyridine; 3-Pyridylacetate; 3-Pyridylacetic acid; Coletin; Lessterol; Lioxone; Minedil; Piridil; Piristerol; Pyridin-3-ylacetate; Pyridin-3-ylacetic acid; Toneon; a-(3-Pyridyl)acetate; a-(3-Pyridyl)acetic acid; alpha-(3-Pyridyl)acetate; alpha-(3-Pyridyl)acetic acidH2Blood Inhouse_peptide NA peptide +MJ003365 1-Phenyl-1-pentanone C11H14O 162.104465 NA MeJP NA NA +MJ003366 9-Undecene-5,7-diyn-3-ol C11H14O 162.104465 NA MeJP NA NA +MJ003367 Caudoxirene C11H14O 162.104465 NA MeJP NA NA +MJ003368 Lamoxirene C11H14O 162.104465 NA MeJP NA NA +CJpos0363 Carnitine (and isomer) [(M+H)]+ (13C) C613CH16NO3 162.107975 C18rt(min)=0.95 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0363 Carnitine (and isomer) [(M+H)]+ (13C) C613CH16NO3 162.107975 C18rt(min)=0.95 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +C00487 Carnitine C7H16NO3 162.113 NA KEGG NA NA +MJ003369 Carnitine C7H16NO3 162.113018 NA MeJP NA NA +CJpos0364 Nicotine [(M+H)]+ C10H15N2 162.115175 C18rt(min)=1.04 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0364 Nicotine [(M+H)]+ C10H15N2 162.115175 C18rt(min)=1.04 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB01934 L(-)-Nicotine pestanal C10H14N2 162.115692 NA HMDB2010 NA NA +HMDB04350 Anabasine C10H14N2 162.115692 NA HMDB2010 NA NA +MJ003370 3-(2-Piperidinyl)pyridine C10H14N2 162.115698 NA MeJP NA NA +MJ003371 Metanicotine C10H14N2 162.115698 NA MeJP NA NA +MJ003372 N-(2,4-Dimethylphenyl)methanimidamide; N'-Me C10H14N2 162.115698 NA MeJP NA NA +MJ003373 Nicotine C10H14N2 162.115698 NA MeJP NA NA +MJ003374 Anabasine C10H14N2 162.115698 NA MeJP NA NA +MJ003375 Nicotine C10H14N2 162.115698 NA MeJP NA NA +MetaCyc01214 (R)-nicotine [] C10H14N2 162.115698 NA metacyc NA NA +MetaCyc01215 nicotine [] C10H14N2 162.115698 NA metacyc NA NA +C00745 Nicotine C10H14N2 162.1157 NA KEGG NA NA +C06180 Anabasine C10H14N2 162.1157 NA KEGG NA NA +C11357 (-)-Anabasine C10H14N2 162.1157 NA KEGG NA NA +C16150 (R,S)-Nicotine C10H14N2 162.1157 NA KEGG NA NA +C16386 (R)-Nicotine C10H14N2 162.1157 NA KEGG NA NA +HMDB04350 Anabasine C10H14N2 162.11571 http://www.hmdb.ca/metabolites/HMDB04350 PFEM_hmdb_metabocards_urine NA urine +HMDB01934 L(-)-Nicotine pestanal C10H14N2 162.11571 http://www.hmdb.ca/metabolites/HMDB01934 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04350 Anabasine C10H14N2 162.11571 http://www.hmdb.ca/metabolites/HMDB04350 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04350 Anabasine C10H14N2 162.11571 http://www.hmdb.ca/metabolites/HMDB04350 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04350 Anabasine C10H14N2 162.11571 http://www.hmdb.ca/metabolites/HMDB04350 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01934 L(-)-Nicotine pestanal C10H14N2 162.11571 http://www.hmdb.ca/metabolites/HMDB01934 HMDB NA NA +HMDB04350 Anabasine C10H14N2 162.11571 http://www.hmdb.ca/metabolites/HMDB04350 HMDB NA NA +HMDB01934 L(-)-Nicotine pestanal C10H14N2 162.11571 http://www.hmdb.ca/metabolites/HMDB01934 PFEM_hmdb_metabocards_blood NA blood +HMDB04350 Anabasine C10H14N2 162.11571 http://www.hmdb.ca/metabolites/HMDB04350 PFEM_hmdb_metabocards_blood NA blood +HMDB01934 L(-)-Nicotine pestanal C10H14N2 162.11571 HMDB01934 PFEM_hmdb_metabocards_official NA NA +HMDB04350 Anabasine C10H14N2 162.11571 HMDB04350 PFEM_hmdb_metabocards_official NA NA +MJ003376 1,3,7-Octanetriol C8H18O3 162.125594 NA MeJP NA NA +MJ003377 Terbuprol C8H18O3 162.125594 NA MeJP NA NA +MJ003378 11,12,13-Trinor-1(10),4,6-germacratriene C12H18 162.14085 NA MeJP NA NA +MJ003379 2,3,3a,4,5,6-Hexahydro-1,4-dimethylazulene C12H18 162.14085 NA MeJP NA NA +MJ003380 Albene C12H18 162.14085 NA MeJP NA NA +MJ003381 Clavukerin A C12H18 162.14085 NA MeJP NA NA +MJ003382 Cogeijerene C12H18 162.14085 NA MeJP NA NA +MJ003383 Geijerene C12H18 162.14085 NA MeJP NA NA +MJ003384 Isoclavukerin A C12H18 162.14085 NA MeJP NA NA +7992 synthetic peptide LHG 162.5815 MH2+ Inhouse_peptide NA peptide +2664 synthetic fr, of human beta-CN (127-129) ACE inhibitor PLP 162.594 MH2+ Inhouse_peptide NA peptide +3391 ACE inhibitor LPP 162.594 MH2+ Inhouse_peptide NA peptide +3522 ACE inhibitor (from bovine b-CN) IPP 162.594 MH2+ Inhouse_peptide NA peptide +MJ003385 Pertechnetate(VII)(1-) O4Tc(-) 162.894699 NA MeJP NA NA +JH013 Taurine [M+K]+ NA 162.9654 1.28 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH013 Taurine [M+K]+ NA 162.9654 1.28 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH013 Taurine [M+K]+ NA 162.9654 1.28 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH013 Taurine [M+K]+ NA 162.9654 1.28 Inhousejuil11 NA NA +CJpos0365 Taurine (and isomer) [M+K]+ C2H7O3NKS 162.969975 C18rt(min)=0.88 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0365 Taurine (and isomer) [M+K]+ C2H7O3NKS 162.969975 C18rt(min)=0.88 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ003386 2-Thioxo-4-thiazolidinecarboxylic acid C4H5NO2S2 162.976169 NA MeJP NA NA +C14764 2-Thiophenesulfonamide C4H5NO2S2 162.9762 NA KEGG NA NA +MJ003387 Acesulfame C4H5NO4S 162.993928 NA MeJP NA NA +MJ003388 1-Isothiocyanato-3-(methylsulfinyl)propane C5H9NOS2 163.012555 NA MeJP NA NA +HMDB06095 3-Methylsulfinylpropyl isothiocyanate C5H9NOS2 163.012558 NA HMDB2010 NA NA +HMDB06095 3-Methylsulfinylpropyl isothiocyanate C5H9NOS2 163.01256 http://www.hmdb.ca/metabolites/HMDB06095 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06095 3-Methylsulfinylpropyl isothiocyanate C5H9NOS2 163.01256 http://www.hmdb.ca/metabolites/HMDB06095 HMDB NA NA +HMDB06095 3-Methylsulfinylpropyl isothiocyanate C5H9NOS2 163.01256 http://www.hmdb.ca/metabolites/HMDB06095 PFEM_hmdb_metabocards_blood NA blood +HMDB06095 3-Methylsulfinylpropyl isothiocyanate C5H9NOS2 163.01256 HMDB06095 PFEM_hmdb_metabocards_official NA NA +JH054 Acetylcysteine C5H9NO3S 163.0258 Rtobs3.81 PFEM_hmdb_metabocards_urine NA urine +JH054 Acetylcysteine [M+H]+ C5H9NO3S 163.0258 3.81 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH054 Acetylcysteine C5H9NO3S 163.0258 Rtobs3.81 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH054 Acetylcysteine [M+H]+ C5H9NO3S 163.0258 3.81 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH054 Acetylcysteine C5H9NO3S 163.0258 Rtobs3.81 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH054 Acetylcysteine [M+H]+ C5H9NO3S 163.0258 3.81 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH054 Acetylcysteine C5H9NO3S 163.0258 Rtobs3.81 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH054 Acetylcysteine C5H9NO3S 163.0258 Rtobs3.81 HMDB NA NA +JH054 Acetylcysteine C5H9NO3S 163.0258 Rtobs3.81 Inhouse_PFEM NA NA +JH054 Acetylcysteine [M+H]+ C5H9NO3S 163.0258 3.81 Inhousejuil11 NA NA +JH054 Acetylcysteine C5H9NO3S 163.0258 Rtobs3.81 PFEM_hmdb_metabocards_blood NA blood +JH054 Acetylcysteine C5H9NO3S 163.0258 Rtobs3.81 PFEM_hmdb_metabocards_official NA NA +MJ003389 2H-1,3-Benzoxazine-2,4(3H)-dione C8H5NO3 163.026943 NA MeJP NA NA +MJ003390 6-Octene-2,4-diynedioic acid, 1-Monoamide C8H5NO3 163.026943 NA MeJP NA NA +HMDB01890 Acetylcysteine C5H9NO3S 163.0303 http://www.hmdb.ca/metabolites/HMDB01890 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01890 Acetylcysteine C5H9NO3S 163.0303 http://www.hmdb.ca/metabolites/HMDB01890 HMDB NA NA +C06809 Acetylcysteine C5H9NO3S 163.0303 NA KEGG NA NA +HMDB01890 Acetylcysteine C5H9NO3S 163.0303 http://www.hmdb.ca/metabolites/HMDB01890 PFEM_hmdb_metabocards_blood NA blood +HMDB01890 Acetylcysteine C5H9NO3S 163.0303 HMDB01890 PFEM_hmdb_metabocards_official NA NA +MJ003391 Chondrine C5H9NO3S 163.030313 NA MeJP NA NA +MJ003392 N-Acetylcysteine C5H9NO3S 163.030313 NA MeJP NA NA +MJ003393 Tiopronin C5H9NO3S 163.030313 NA MeJP NA NA +MetaCyc01216 mercapturate [N-acetylcysteinyl conjugate;AcCySR;] C5H9N1O3S1 163.030314 NA metacyc NA NA +HMDB01890 Acetylcysteine C5H9NO3S 163.030319 NA HMDB2010 NA NA +HMDB01890 Acetylcysteine C5H9NO3S 163.03032 NA ;SYN:(2R)-2-aminopentanedioate; (2R)-2-aminopentanedioic acid; (R)-2-aminopentanedioate; (R)-2-aminopentanedioic acid; D-2-Aminoglutarate; D-2-Aminoglutaric acid; D-2-Aminopentanedioate; D-2-Aminopentanedioic acid; D-Glutamate; D-Glutamic acid; D-Glutaminate; D-Glutaminic acid; D-Glutaminsaeure; DGL; Lopac-G-2128; R-(-)-Glutamate; R-(-)-Glutamic acid; Tocris-0217; glutamate; glutamic acid D-form; Lopac-gamma-2128; delta-2-Aminoglutarate; delta-2-Aminoglutaric acid; delta-2-Aminopentanedioate; delta-2-Aminopentanedioic acid; delta-Glutamate; delta-Glutamic acid; delta-Glutaminate; delta-Glutaminic acid; delta-GlutaminsaeureH2Blood; Urine Inhouse_peptide NA peptide +MJ003394 2-Amino-5-chloro-4-hexenoic acid C6H10ClNO2 163.040006 NA MeJP NA NA +MJ003395 2-Amino-5-chloro-5-hexenoic acid C6H10ClNO2 163.040006 NA MeJP NA NA +MJ003396 1-Isothiocyanato-2-phenylethane C9H9NS 163.045569 NA MeJP NA NA +MJ003397 L-erythro-4-Hydroxyglutamate C5H9NO5 163.048072 NA MeJP NA NA +MJ003398 2-Amino-3-hydroxypentanedioic acid C5H9NO5 163.048072 NA MeJP NA NA +MJ003399 2-Amino-4-hydroxypentanedioic acid C5H9NO5 163.048072 NA MeJP NA NA +MJ003400 3-Amino-2-hydroxypentanedioic acid C5H9NO5 163.048072 NA MeJP NA NA +MJ003401 N-Carboxymethylserine C5H9NO5 163.048072 NA MeJP NA NA +MetaCyc01217 threo-3-hydroxy-glutamate [] C5H9N1O5 163.048072 NA metacyc NA NA +MetaCyc01218 3-hydroxy-L-glutamate [3-Hydroxy-L-glutamic acid;] C5H9N1O5 163.048072 NA metacyc NA NA +MetaCyc01219 L-erythro-4-hydroxy-glutamate [4-Hydroxy-L-glutamate;erythro-4-hydroxyglutamate;4-Hydroxy-L-glutamic acid;] C5H9N1O5 163.048072 NA metacyc NA NA +C03066 3-Hydroxy-L-glutamate C5H9NO5 163.0481 NA KEGG NA NA +C03079 4-Hydroxy-L-glutamate C5H9NO5 163.0481 NA KEGG NA NA +C05947 L-erythro-4-Hydroxyglutamate C5H9NO5 163.0481 NA KEGG NA NA +C00715 Pterin C6H5N5O 163.0494 NA KEGG NA NA +HMDB00802 Pterin C6H5N5O 163.049408 NA HMDB2010 NA NA +MJ003402 2-Amino-4-hydroxypteridine C6H5N5O 163.049409 NA MeJP NA NA +HMDB00802 Pterin C6H5N5O 163.04941 http://www.hmdb.ca/metabolites/HMDB00802 HMDB NA NA +MetaCyc01220 2-amino-4-hydroxypteridine [] C6H5N5O1 163.04941 2236-60-4 metacyc NA NA +HMDB00802 Pterin C6H5N5O 163.04941 HMDB00802 PFEM_hmdb_metabocards_official NA NA +MJ003403 3-[[(Hydroxyamino)carbonyl]amino]alanine C4H9N3O4 163.059305 NA MeJP NA NA +MJ003404 Homoalanosine C4H9N3O4 163.059305 NA MeJP NA NA +C05834 3-Methyldioxyindole C9H9NO2 163.0633 NA KEGG NA NA +HMDB01424 4-(3-Pyridyl)-3-butenoic acid C9H9NO2 163.06332 http://www.hmdb.ca/metabolites/HMDB01424 HMDB NA NA +HMDB04186 3-Methyldioxyindole C9H9NO2 163.06332 http://www.hmdb.ca/metabolites/HMDB04186 HMDB NA NA +HMDB01424 4-(3-Pyridyl)-3-butenoic acid C9H9NO2 163.06332 HMDB01424 PFEM_hmdb_metabocards_official NA NA +HMDB04186 3-Methyldioxyindole C9H9NO2 163.06332 HMDB04186 PFEM_hmdb_metabocards_official NA NA +HMDB01424 4-(3-Pyridyl)-3-butenoic acid C9H9NO2 163.063324 NA HMDB2010 NA NA +HMDB04186 3-Methyldioxyindole C9H9NO2 163.063324 NA HMDB2010 NA NA +MJ003405 3-Methyldioxyindole C9H9NO2 163.063328 NA MeJP NA NA +MJ003406 3,4-Dihydro-1(2H)-isoquinolinone; N-Hydroxy C9H9NO2 163.063328 NA MeJP NA NA +MJ003407 5-Phenyl-2-oxazolidinone C9H9NO2 163.063328 NA MeJP NA NA +MJ003408 5-Vinyl-3-pyridinecarboxylic acid; Me ester C9H9NO2 163.063328 NA MeJP NA NA +MJ003409 Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, Imide C9H9NO2 163.063328 NA MeJP NA NA +MJ003410 Gentiana macrophylla Alkaloid B C9H9NO2 163.063328 NA MeJP NA NA +MJ003411 Gentianidine C9H9NO2 163.063328 NA MeJP NA NA +MJ003412 Homothallin C9H9NO2 163.063328 NA MeJP NA NA +MJ003413 Isonitrinic acid F C9H9NO2 163.063328 NA MeJP NA NA +MJ003414 N-[2-(4-Hydroxyphenyl)ethenyl]formamide C9H9NO2 163.063328 NA MeJP NA NA +MetaCyc01221 5-(3-pyridyl)-tetrahydro-furan-2-one [] C9H9N1O2 163.063329 NA metacyc NA NA +MetaCyc01222 4-(3-pyridyl)-3-butenoate [4-(3-pyridyl)-3-butenoic acid;] C9H9N1O2 163.063329 NA metacyc NA NA +HMDB02169 S-(2-carboxypropyl)-Cysteamine C6H13NO2S 163.066696 NA HMDB2010 NA NA +MJ003415 2-Amino-5-(methylthio)pentanoic acid C6H13NO2S 163.066699 NA MeJP NA NA +MJ003416 Cysteine, S-Propyl C6H13NO2S 163.066699 NA MeJP NA NA +MetaCyc01223 ethionine [D-ethionine;L-ethionine;] C6H13N1O2S1 163.066699 13073-35-3 metacyc NA NA +MetaCyc01224 homomethionine [] C6H13N1O2S1 163.066699 NA metacyc NA NA +HMDB02169 S-(2-carboxypropyl)-Cysteamine C6H13NO2S 163.0667 http://www.hmdb.ca/metabolites/HMDB02169 HMDB NA NA +C11227 Ethionine C6H13NO2S 163.0667 NA KEGG NA NA +C17213 Homomethionine C6H13NO2S 163.0667 NA KEGG NA NA +HMDB02169 S-(2-carboxypropyl)-Cysteamine C6H13NO2S 163.0667 HMDB02169 PFEM_hmdb_metabocards_official NA NA +7642 ACE inhibitor from porcine myosin (80-82) NPP 163.07345 MH2+ Inhouse_peptide NA peptide +10 Myosin NPP 163.074 MH2+ Inhouse_peptide NA peptide +MetaCyc01225 p-cumate [cuminic acid;4-isopropylbenzoic acid;] C10H11O2 163.075905 536-66-3 metacyc NA NA +HMDB11727 Bicine C6H13NO4 163.084457 NA HMDB2010 NA NA +MJ003417 2-(Hydroxymethyl)-3,4,5-piperidinetriol C6H13NO4 163.084457 NA MeJP NA NA +MJ003418 2-Amino-2,3-dideoxy-ribo-hexopyranose C6H13NO4 163.084457 NA MeJP NA NA +MJ003419 2-Amino-2,6-dideoxygalactose C6H13NO4 163.084457 NA MeJP NA NA +MJ003420 2-Amino-2,6-dideoxyglucose C6H13NO4 163.084457 NA MeJP NA NA +MJ003421 2-Amino-2,6-dideoxymannose C6H13NO4 163.084457 NA MeJP NA NA +MJ003422 2-Amino-2,6-dideoxytalose C6H13NO4 163.084457 NA MeJP NA NA +MJ003423 2-Amino-3,4-dihydroxybutanoic acid, 4-Et ether C6H13NO4 163.084457 NA MeJP NA NA +MJ003424 2-Amino-4,5-dihydroxy-3-methylpentanoic acid C6H13NO4 163.084457 NA MeJP NA NA +MJ003425 2-Amino-4,5-dihydroxy-4-methylpentanoic acid C6H13NO4 163.084457 NA MeJP NA NA +MJ003426 3,4-Dihydroxy-2,5-bis(hydroxymethyl)pyrrolidine C6H13NO4 163.084457 NA MeJP NA NA +MJ003427 3-Amino-3,6-dideoxyglucose C6H13NO4 163.084457 NA MeJP NA NA +MJ003428 3-Amino-3,6-dideoxymannose C6H13NO4 163.084457 NA MeJP NA NA +MJ003429 3-Deoxy-3-(methylamino)arabinose C6H13NO4 163.084457 NA MeJP NA NA +MJ003430 3-Deoxy-3-(methylamino)xylose C6H13NO4 163.084457 NA MeJP NA NA +MJ003431 4-Amino-4,6-dideoxygalactose; D-Pyranose-form C6H13NO4 163.084457 NA MeJP NA NA +MJ003432 4-Amino-4,6-dideoxyglucose C6H13NO4 163.084457 NA MeJP NA NA +MJ003433 4-Amino-4,6-dideoxymannose C6H13NO4 163.084457 NA MeJP NA NA +MJ003434 Xantholamine C6H13NO4 163.084457 NA MeJP NA NA +MetaCyc01226 1,5-dideoxy-1,5-imino-D-galactitol [] C6H13N1O4 163.084458 NA metacyc NA NA +MetaCyc01227 1-deoxynojirimycin [DNJ;dNM;1,5-dideoxy-1,5-imino-D-glucitol;1,5-deoxy-1,5-imino-D-mannitol;(2R,3R,4R,5S)-2-hydroxymethyl-piperidine-3,4,5-triol;] C6H13N1O4 163.084458 NA metacyc NA NA +C10141 Deoxymannojirimycin C6H13NO4 163.0845 NA KEGG NA NA +C10143 DMDP C6H13NO4 163.0845 NA KEGG NA NA +C15478 D-Fucosamine C6H13NO4 163.0845 NA KEGG NA NA +C15479 D-Quinovosamine C6H13NO4 163.0845 NA KEGG NA NA +C16843 Deoxynojirimycin C6H13NO4 163.0845 NA KEGG NA NA +C17580 2-Deoxy-scyllo-inosamine C6H13NO4 163.0845 NA KEGG NA NA +MetaCyc01228 1-ethyladenine [] C7H9N5 163.085795 NA metacyc NA NA +HMDB00473 6-Dimethylaminopurine C7H9N5 163.0858 http://www.hmdb.ca/metabolites/HMDB00473 HMDB NA NA +HMDB00473 6-Dimethylaminopurine C7H9N5 163.0858 HMDB00473 PFEM_hmdb_metabocards_official NA NA +HMDB00473 6-Dimethylaminopurine C7H9N5 163.0858 NA HMDB2010 NA NA +MJ003435 2,3,5-Triamino-2,3,5-trideoxyarabinonic acid C5H13N3O3 163.095691 NA MeJP NA NA +CJpos0366 Phe Ser Ser Phe [(M+H)-(C2H3NO3)]+ C10H14NO 163.099175 C18rt(min)=5.01 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0366 Phe Ser § Ser Phe [(M+H)-(C2H3NO3)]+ C10H14NO 163.099175 C18rt(min)=5.01 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C04351 (R)-2-Methylimino-1-phenylpropan-1-ol C10H13NO 163.0997 NA KEGG NA NA +C06746 N-Acetylphenylethylamine C10H13NO 163.0997 NA KEGG NA NA +C11487 EPA C10H13NO 163.0997 NA KEGG NA NA +MJ003436 1,2,3,4-Tetrahydro-6-isoquinolinol; Me ether C10H13NO 163.099714 NA MeJP NA NA +MJ003437 1,2,3,4-Tetrahydro-6-isoquinolinol; N-Me C10H13NO 163.099714 NA MeJP NA NA +MJ003438 1,2,3,4-Tetrahydro-7-isoquinolinol; Me ether C10H13NO 163.099714 NA MeJP NA NA +MJ003439 1,2,3,4-Tetrahydro-8-isoquinolinol; N-Me C10H13NO 163.099714 NA MeJP NA NA +MJ003440 1,2,3,4-Tetrahydro-8-quinolinol; N-Me C10H13NO 163.099714 NA MeJP NA NA +MJ003441 1-Phenyl-2-propylamine, N-Formyl C10H13NO 163.099714 NA MeJP NA NA +MJ003442 2-Aminoacetophenone; N,N-Di-Me C10H13NO 163.099714 NA MeJP NA NA +MJ003443 5,6-Dihydro-2-(1,3-pentadienyl)-4(1H)-pyridinone C10H13NO 163.099714 NA MeJP NA NA +MJ003444 Pediculinine C10H13NO 163.099714 NA MeJP NA NA +MJ003445 Tecostidine C10H13NO 163.099714 NA MeJP NA NA +MetaCyc01229 N-acetylphenylethylamine [N-(2-phenylethyl)-acetamide;] C10H13N1O1 163.099714 NA metacyc NA NA +HMDB03072 Quinic acid C10H13NO 163.099716 NA HMDB2010 NA NA +CJpos0367 Nicotine [(M+H)]+ (13C) C913CH15N2 163.118475 C18rt(min)=1.04 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0367 Nicotine [(M+H)]+ (13C) C913CH15N2 163.118475 C18rt(min)=1.04 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ003446 1-Phenyl-2-propylamine, N-Et C11H17N 163.136099 NA MeJP NA NA +MJ003447 1-Phenyl-2-propylamine, N,N-Di-Me C11H17N 163.136099 NA MeJP NA NA +MJ003448 2-Methyl-3-phenyl-2-butylamine C11H17N 163.136099 NA MeJP NA NA +MJ003449 2-Phenylethylamine; N,N,N-Tri-Me C11H18N(+) 163.136099 NA MeJP NA NA +C07889 Mephentermine C11H17N 163.1361 NA KEGG NA NA +2653 synthetic fr, of human beta-CN (168-170) ACE inhibitor VLP 163.602 MH2+ Inhouse_peptide NA peptide +3166 Diprotin B VPL 163.602 MH2+ Inhouse_peptide NA peptide +3350 Stimulating vasoactive substance release VPL 163.602 MH2+ Inhouse_peptide NA peptide +C06789 Tetrachloroethene C2Cl4 163.8754 NA KEGG NA NA +MJ003450 Tetrachloroethene C2Cl4 163.87541 NA MeJP NA NA +MJ003451 Tetrachloroethylene C2Cl4 163.87541 NA MeJP NA NA +MetaCyc01230 tetrachloroethene [PCE;1,1,2,2-tetrachloroethylene;tetrachloroethylene;] C2CL4 163.875411 127-18-4 metacyc NA NA +HMDB12260 Molybdate H2MoO4 163.900711 NA HMDB2010 NA NA +MJ003452 2,2,2-Trichloro-1,1-ethanediol C2H3Cl3O2 163.919862 NA MeJP NA NA +C06899 Chloral hydrate C2H3Cl3O2 163.9199 NA KEGG NA NA +C06900 Transferred to D00266 C2H3Cl3O2 163.9199 NA KEGG NA NA +C06901 Transferred to D00267 C2H3Cl3O2 163.9199 NA KEGG NA NA +C07517 Methoxyflurane C3H4Cl2F2O 163.9607 NA KEGG NA NA +MJ003453 2,2-Dichloro-1,1-difluoro-1-methoxyethane C3H4Cl2F2O 163.960726 NA MeJP NA NA +CJneg0191 Glyceric acid [(M-H)+(NaCl)]- C3H5ClNaO4 163.985825 C18rt(min)=0.92 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0191 Glyceric acid [(M-H)+(NaCl)]- C3H5ClNaO4 163.985825 C18rt(min)=0.92 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ003454 3-[(Carboxymethyl)thio]propanoic acid C5H8O4S 164.014329 NA MeJP NA NA +MJ003455 6-Diazo-5-oxo-1,3-cyclohexadiene-1-carboxylic acid C7H4N2O3 164.022192 NA MeJP NA NA +MJ003456 4-Chloro-3-oxobutanoic acid; Et ester C6H9ClO3 164.024021 NA MeJP NA NA +MJ003457 2-Hydroxy-2-(hydroxymethyl)butanedioic acid C5H8O6 164.032087 NA MeJP NA NA +MJ003458 Lyxuronic acid C5H8O6 164.032087 NA MeJP NA NA +MJ003459 Riburonic acid C5H8O6 164.032087 NA MeJP NA NA +C02928 2-Dehydro-D-xylonate C5H8O6 164.0321 NA KEGG NA NA +C02929 2-Hydroxy carboxylate C2H3O3R 164.0321 NA KEGG NA NA +MJ003460 1-Propenyl propyl disulfide, 4-Oxide C6H12OS2 164.032956 NA MeJP NA NA +MJ003461 1-Propenyl propyl disulfide, 5-Oxide C6H12OS2 164.032956 NA MeJP NA NA +MJ003462 1-Propenyl propyl disulfide, 4-Oxide C6H12OS2 164.032956 NA MeJP NA NA +MJ003463 1-Propenyl propyl disulfide, 5-Oxide C6H12OS2 164.032956 NA MeJP NA NA +MJ003464 2-Propenyl propyl disulfide; 4-Oxide C6H12OS2 164.032956 NA MeJP NA NA +C03212 2,4-Dihydroxypteridine C6H4N4O2 164.0334 NA KEGG NA NA +MetaCyc01231 2,4-dihydroxypteridine [] C6H4N4O2 164.033425 487-21-8 metacyc NA NA +MJ003465 5-Chlorohexahydro-3-pyridazinecarboxylic acid C5H9ClN2O2 164.035255 NA MeJP NA NA +JH103 Tyrosine [M+H-NH3]+ NA 164.0426 1.65 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH103 Tyrosine [M+H-NH3]+ NA 164.0426 1.65 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH103 Tyrosine [M+H-NH3]+ NA 164.0426 1.65 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH103 Tyrosine [M+H-NH3]+ NA 164.0426 1.65 Inhousejuil11 NA NA +EUR419 Tyrosine F2 F2 164.044475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR419 Tyrosine F2 NA 164.044475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR419 Tyrosine F2 F2 164.044475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR419 Tyrosine F2 NA 164.044475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR419 Tyrosine F2 F2 164.044475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR419 Tyrosine F2 NA 164.044475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR419 Tyrosine F2 F2 164.044475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR419 Tyrosine F2 F2 164.044475 standards wishlist analysés sur QTOF HMDB NA NA +EUR419 Tyrosine F2 F2 164.044475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR419 Tyrosine F2 NA 164.044475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR419 Tyrosine F2 F2 164.044475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR419 Tyrosine F2 F2 164.044475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0368 Tyrosine [(M+H)-(NH3)]+ C9H9O3 164.046775 C18rt(min)=1.08 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0368 Tyrosine [(M+H)-(NH3)]+ C9H9O3 164.046775 C18rt(min)=1.08 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +JH057 Coumaric acid (p-) [M+H]+ C9H8O3 164.0468 Rtobs13.89 PFEM_hmdb_metabocards_urine NA urine +JH057 Coumaric acid (p-) [M+H]+ C9H8O3 164.0468 13.89 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH057 Coumaric acid (p-) [M+H]+ C9H8O3 164.0468 Rtobs13.89 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH057 Coumaric acid (p-) [M+H]+ C9H8O3 164.0468 13.89 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH057 Coumaric acid (p-) [M+H]+ C9H8O3 164.0468 Rtobs13.89 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH057 Coumaric acid (p-) [M+H]+ C9H8O3 164.0468 13.89 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH057 Coumaric acid (p-) [M+H]+ C9H8O3 164.0468 Rtobs13.89 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH057 Coumaric acid (p-) [M+H]+ C9H8O3 164.0468 Rtobs13.89 HMDB NA NA +JH057 Coumaric acid (p-) [M+H]+ C9H8O3 164.0468 Rtobs13.89 Inhouse_PFEM NA NA +JH057 Coumaric acid (p-) [M+H]+ C9H8O3 164.0468 13.89 Inhousejuil11 NA NA +JH057 Coumaric acid (p-) [M+H]+ C9H8O3 164.0468 Rtobs13.89 PFEM_hmdb_metabocards_blood NA blood +JH057 Coumaric acid (p-) [M+H]+ C9H8O3 164.0468 Rtobs13.89 PFEM_hmdb_metabocards_official NA NA +C00166 Phenylpyruvate C9H8O3 164.0473 NA KEGG NA NA +C00811 4-Coumarate C9H8O3 164.0473 NA KEGG NA NA +C00812 Alkyl thiol HSR 164.0473 NA KEGG NA NA +C01772 trans-2-Hydroxycinnamate C9H8O3 164.0473 NA KEGG NA NA +C01775 Actinomycin C9H8O3 164.0473 NA KEGG NA NA +C02763 2-Hydroxy-3-phenylpropenoate C9H8O3 164.0473 NA KEGG NA NA +C02764 tRNA pseudouridine C9H13N2O9P 164.0473 NA KEGG NA NA +C05838 cis-2-Hydroxycinnamate C9H8O3 164.0473 NA KEGG NA NA +C06738 cis-p-Coumarate C9H8O3 164.0473 NA KEGG NA NA +C07114 Benzoyl acetate C9H8O3 164.0473 NA KEGG NA NA +C10945 Caffeic aldehyde C9H8O3 164.0473 NA KEGG NA NA +C12621 3-Coumaric acid C9H8O3 164.0473 NA KEGG NA NA +HMDB00205 Phenylpyruvic acid C9H8O3 164.04733 http://www.hmdb.ca/metabolites/HMDB00205 PFEM_hmdb_metabocards_urine NA urine +HMDB00205 Phenylpyruvic acid C9H8O3 164.04733 http://www.hmdb.ca/metabolites/HMDB00205 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00205 Phenylpyruvic acid C9H8O3 164.04733 http://www.hmdb.ca/metabolites/HMDB00205 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00205 Phenylpyruvic acid C9H8O3 164.04733 http://www.hmdb.ca/metabolites/HMDB00205 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00205 Phenylpyruvic acid C9H8O3 164.04733 http://www.hmdb.ca/metabolites/HMDB00205 HMDB NA NA +HMDB01713 m-Coumaric acid C9H8O3 164.04733 http://www.hmdb.ca/metabolites/HMDB01713 HMDB NA NA +HMDB02035 4-Hydroxycinnamic acid C9H8O3 164.04733 http://www.hmdb.ca/metabolites/HMDB02035 HMDB NA NA +HMDB02641 2-Hydroxycinnamic acid C9H8O3 164.04733 http://www.hmdb.ca/metabolites/HMDB02641 HMDB NA NA +HMDB00205 Phenylpyruvic acid C9H8O3 164.04733 http://www.hmdb.ca/metabolites/HMDB00205 PFEM_hmdb_metabocards_blood NA blood +HMDB00205 Phenylpyruvic acid C9H8O3 164.04733 HMDB00205 PFEM_hmdb_metabocards_official NA NA +HMDB01713 m-Coumaric acid C9H8O3 164.04733 HMDB01713 PFEM_hmdb_metabocards_official NA NA +HMDB02035 4-Hydroxycinnamic acid C9H8O3 164.04733 HMDB02035 PFEM_hmdb_metabocards_official NA NA +HMDB02641 2-Hydroxycinnamic acid C9H8O3 164.04733 HMDB02641 PFEM_hmdb_metabocards_official NA NA +MJ003466 2-Coumarate C9H8O3 164.047344 NA MeJP NA NA +MJ003467 4-Coumarate C9H8O3 164.047344 NA MeJP NA NA +MJ003468 Benzoyl acetate C9H8O3 164.047344 NA MeJP NA NA +MJ003469 Phenylpyruvate C9H8O3 164.047344 NA MeJP NA NA +MJ003470 cis-2-Hydroxy cinnamate C9H8O3 164.047344 NA MeJP NA NA +MJ003471 enol-Phenylpyruvate C9H8O3 164.047344 NA MeJP NA NA +MJ003472 2-Oxo-3-phenylpropanoic acid C9H8O3 164.047344 NA MeJP NA NA +MJ003473 3',4'-Methylenedioxyacetophenone C9H8O3 164.047344 NA MeJP NA NA +MJ003474 3-(2-Hydroxyphenyl)-2-propenoic acid C9H8O3 164.047344 NA MeJP NA NA +MJ003475 3-(3-Hydroxyphenoxy)-2-propenal C9H8O3 164.047344 NA MeJP NA NA +MJ003476 3-(3-Hydroxyphenyl)-2-propenoic acid C9H8O3 164.047344 NA MeJP NA NA +MJ003477 3-(4-Hydroxyphenyl)-2-propenoic acid C9H8O3 164.047344 NA MeJP NA NA +MJ003478 4,6,8-Nonatriyne-1,2,3-triol C9H8O3 164.047344 NA MeJP NA NA +MJ003479 5-Acetyl-2-hydroxybenzaldehyde C9H8O3 164.047344 NA MeJP NA NA +MJ003480 7-Hydroxy-4-methyl-1(3H)-isobenzofuranone C9H8O3 164.047344 NA MeJP NA NA +MJ003481 8-Hydroxy-1H-2-benzopyran-1-one; 3,4-Dihydro C9H8O3 164.047344 NA MeJP NA NA +MJ003482 9-Hydroxy-7-nonene-3,5-diynoic acid C9H8O3 164.047344 NA MeJP NA NA +MetaCyc01232 phenylpyruvate [phenylpyruvate;phenylpyruvic acid;α-ketohydrocinnamic acid;3-phenyl-2-oxopropanoate;keto-phenylpyruvate;] C9H8O3 164.047344 156-06-9 metacyc NA NA +MetaCyc01233 enol-phenylpyruvate [] C9H8O3 164.047344 5801-57-0 metacyc NA NA +MetaCyc01234 4-coumarate [p-coumarate;trans-4-hydroxycinnamate;p-coumaric acid;4-Hydroxycinnamic acid;4-Hydroxycinnamate;coumarate;] C9H8O3 164.047344 7400-08-0 metacyc NA NA +MetaCyc01235 cis-p-coumarate [] C9H8O3 164.047344 NA metacyc NA NA +MetaCyc01236 benzoyl-acetate [] C9H8O3 164.047344 NA metacyc NA NA +MetaCyc01237 2-coumarate [2-Hydroxycinnamate;trans-2-hydroxycinnamate;] C9H8O3 164.047344 NA metacyc NA NA +MetaCyc01238 coumarinate [coumarinic acid;] C9H8O3 164.047344 NA metacyc NA NA +HMDB00205 Phenylpyruvic acid C9H8O3 164.047348 NA HMDB2010 NA NA +HMDB01713 m-Coumaric acid C9H8O3 164.047348 NA HMDB2010 NA NA +HMDB02035 4-Hydroxycinnamic acid C9H8O3 164.047348 NA HMDB2010 NA NA +HMDB02641 2-Hydroxycinnamic acid C9H8O3 164.047348 NA HMDB2010 NA NA +HMDB12225 Enol-phenylpyruvate C9H8O3 164.047348 NA HMDB2010 NA NA +JH200 Epicatechin [M+H-OH-C6H5O2]+ NA 164.0477 11.82 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH200 Epicatechin [M+H-OH-C6H5O2]+ NA 164.0477 11.82 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH200 Epicatechin [M+H-OH-C6H5O2]+ NA 164.0477 11.82 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH200 Epicatechin [M+H-OH-C6H5O2]+ NA 164.0477 11.82 Inhousejuil11 NA NA +JH203 Catechin (fragment3) NA 164.0478 11.34 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH203 Catechin (fragment3) NA 164.0478 11.34 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH203 Catechin (fragment3) NA 164.0478 11.34 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH203 Catechin (fragment3) NA 164.0478 11.34 Inhousejuil11 NA NA +MJ003483 3-Dimethylsulfonio 2-methoxypropanoate C6H12O3S 164.050714 NA MeJP NA NA +MJ003484 4-Aminobenzaldehyde; N-Me, N-nitroso C8H8N2O2 164.058577 NA MeJP NA NA +MJ003485 Aldisin C8H8N2O2 164.058577 NA MeJP NA NA +MJ003486 Ricinine C8H8N2O2 164.058577 NA MeJP NA NA +MetaCyc01239 ricinine [] C8H8N2O2 164.058578 524-40-3 metacyc NA NA +C01526 Ricinine C8H8N2O2 164.0586 NA KEGG NA NA +MJ003487 S-(2-Aminoethyl)cysteine C5H12N2O2S 164.061948 NA MeJP NA NA +C08456 1-Phenylhepta-1,3,5-triyne C13H8 164.0626 NA KEGG NA NA +MJ003488 1,11-Tridecadiene-3,5,7,9-tetrayne C13H8 164.0626 NA MeJP NA NA +MJ003489 1,12-Tridecadiene-3,5,7,9-tetrayne C13H8 164.0626 NA MeJP NA NA +MJ003490 1,3-Tridecadiene-5,7,9,11-tetrayne C13H8 164.0626 NA MeJP NA NA +MJ003491 1-Phenyl-1,3,5-heptatriyne C13H8 164.0626 NA MeJP NA NA +3556 ACE inhibitor FY 164.0655 MH2+ Inhouse_peptide NA peptide +HMDB00174 L-Fucose C6H12O5 164.06847 http://www.hmdb.ca/metabolites/HMDB00174 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02712 1,5-Anhydrosorbitol C6H12O5 164.06847 http://www.hmdb.ca/metabolites/HMDB02712 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00174 L-Fucose C6H12O5 164.06847 http://www.hmdb.ca/metabolites/HMDB00174 HMDB NA NA +HMDB00849 Rhamnose C6H12O5 164.06847 http://www.hmdb.ca/metabolites/HMDB00849 HMDB NA NA +HMDB02712 1,5-Anhydrosorbitol C6H12O5 164.06847 http://www.hmdb.ca/metabolites/HMDB02712 HMDB NA NA +HMDB03081 beta-D-Fucose C6H12O5 164.06847 http://www.hmdb.ca/metabolites/HMDB03081 HMDB NA NA +HMDB00174 L-Fucose C6H12O5 164.06847 http://www.hmdb.ca/metabolites/HMDB00174 PFEM_hmdb_metabocards_blood NA blood +HMDB02712 1,5-Anhydrosorbitol C6H12O5 164.06847 http://www.hmdb.ca/metabolites/HMDB02712 PFEM_hmdb_metabocards_blood NA blood +HMDB00174 L-Fucose C6H12O5 164.06847 HMDB00174 PFEM_hmdb_metabocards_official NA NA +HMDB00849 Rhamnose C6H12O5 164.06847 HMDB00849 PFEM_hmdb_metabocards_official NA NA +HMDB02712 1,5-Anhydrosorbitol C6H12O5 164.06847 HMDB02712 PFEM_hmdb_metabocards_official NA NA +HMDB03081 beta-D-Fucose C6H12O5 164.06847 HMDB03081 PFEM_hmdb_metabocards_official NA NA +MJ003492 1,5-Anhydroglucitol C6H12O5 164.068473 NA MeJP NA NA +MJ003493 1,5-Anhydromannitol C6H12O5 164.068473 NA MeJP NA NA +MJ003494 2-Deoxy-arabino-hexose C6H12O5 164.068473 NA MeJP NA NA +MJ003495 2-O-Methylxylose C6H12O5 164.068473 NA MeJP NA NA +MJ003496 3-O-Methylxylose C6H12O5 164.068473 NA MeJP NA NA +MJ003497 5-Deoxy-3-C-hydroxymethyllyxose C6H12O5 164.068473 NA MeJP NA NA +MJ003498 6-Deoxyallose C6H12O5 164.068473 NA MeJP NA NA +MJ003499 6-Deoxyaltrose C6H12O5 164.068473 NA MeJP NA NA +MJ003500 6-Deoxyglucose C6H12O5 164.068473 NA MeJP NA NA +MJ003501 6-Deoxygulose C6H12O5 164.068473 NA MeJP NA NA +MJ003502 6-Deoxytalose C6H12O5 164.068473 NA MeJP NA NA +MJ003503 Fucose C6H12O5 164.068473 NA MeJP NA NA +MJ003504 Rhamnose C6H12O5 164.068473 NA MeJP NA NA +MJ003505 Ribose, 3-Me C6H12O5 164.068473 NA MeJP NA NA +MJ003506 Starch; Unbranched-form C6H12O5 164.068473 NA MeJP NA NA +MJ003507 muco-Quercitol C6H12O5 164.068473 NA MeJP NA NA +MJ003508 proto-Quercitol C6H12O5 164.068473 NA MeJP NA NA +MJ003509 vibo-Quercitol C6H12O5 164.068473 NA MeJP NA NA +MJ003510 6-Deoxy-D-galactose C6H12O5 164.068473 NA MeJP NA NA +MJ003511 6-Deoxy-L-galactose C6H12O5 164.068473 NA MeJP NA NA +MJ003512 L-Fuculose C6H12O5 164.068473 NA MeJP NA NA +MJ003513 L-Rhamnofuranose C6H12O5 164.068473 NA MeJP NA NA +MJ003514 L-Rhamnose C6H12O5 164.068473 NA MeJP NA NA +MJ003515 L-Rhamnulose C6H12O5 164.068473 NA MeJP NA NA +MetaCyc01240 L-rhamnofuranose [] C6H12O5 164.068473 NA metacyc NA NA +MetaCyc01241 2-deoxyglucose [] C6H12O5 164.068473 NA metacyc NA NA +MetaCyc01242 2-deoxy-D-glucose [] C6H12O5 164.068473 154-17-6 metacyc NA NA +MetaCyc01243 1,5-anhydro-D-glucitol [1,5-anhydro-D-sorbitol;1,5-anhydroglucitol;] C6H12O5 164.068473 NA metacyc NA NA +MetaCyc01244 L-rhamnose [6-deoxy-L-mannose;rhamnose;L-mannomethylose;isodulcit;] C6H12O5 164.068473 3615-41-6 metacyc NA NA +MetaCyc01245 L-fuculose [fuculose;] C6H12O5 164.068473 13074-08-3 metacyc NA NA +MetaCyc01246 L-fucose [fucose;6-deoxy-L-galactose;L-galactomethylose;] C6H12O5 164.068473 2438-80-4 metacyc NA NA +MetaCyc01247 2-deoxy-D-galactose [2-deoxy-D-lyxohexose;deoxygalactose;] C6H12O5 164.068473 NA metacyc NA NA +MetaCyc01248 rhamnulose [L-rhamnulose;] C6H12O5 164.068473 14807-05-7 metacyc NA NA +MetaCyc01249 1-O-methyl-β-D-xylopyranose [methyl β-D-xyloside;methyl β-D-xylopyranoside;] C6H12O5 164.068473 612-05-5 metacyc NA NA +HMDB00174 L-Fucose C6H12O5 164.068481 NA HMDB2010 NA NA +HMDB00849 Rhamnose C6H12O5 164.068481 NA HMDB2010 NA NA +HMDB02712 1,5-Anhydrosorbitol C6H12O5 164.068481 NA HMDB2010 NA NA +HMDB03081 Beta-D-Fucose C6H12O5 164.068481 NA HMDB2010 NA NA +HMDB10207 L-Rhamnulose C6H12O5 164.068481 NA HMDB2010 NA NA +HMDB12327 2-Deoxygalactopyranose C6H12O5 164.068481 NA HMDB2010 NA NA +C00507 L-Rhamnose C6H12O5 164.0685 NA KEGG NA NA +C00586 2-Deoxy-D-glucose C6H12O5 164.0685 NA KEGG NA NA +C00861 L-Rhamnulose C6H12O5 164.0685 NA KEGG NA NA +C01018 6-Deoxy-D-galactose C6H12O5 164.0685 NA KEGG NA NA +C01019 6-Deoxy-L-galactose C6H12O5 164.0685 NA KEGG NA NA +C01684 D-Rhamnose C6H12O5 164.0685 NA KEGG NA NA +C01721 L-Fuculose C6H12O5 164.0685 NA KEGG NA NA +C02095 beta-D-Fucose C6H12O5 164.0685 NA KEGG NA NA +C02338 beta-L-Rhamnose C6H12O5 164.0685 NA KEGG NA NA +C02339 m7G(5')pppR-RNA C21H34N5O23P4R2 164.0685 NA KEGG NA NA +C02431 L-Rhamnofuranose C6H12O5 164.0685 NA KEGG NA NA +C02434 Long-chain ester C2H2O2R2 164.0685 NA KEGG NA NA +C02436 Methylated amine CH4NR 164.0685 NA KEGG NA NA +C02440 N-Desulfoheparin CH4NR 164.0685 NA KEGG NA NA +C02476 alpha-L-Rhamnose C6H12O5 164.0685 NA KEGG NA NA +C02522 6-Deoxy-D-glucose C6H12O5 164.0685 NA KEGG NA NA +C02525 Aliphatic alcohol HOR 164.0685 NA KEGG NA NA +C02781 2-Deoxy-D-galactose C6H12O5 164.0685 NA KEGG NA NA +C07326 1,5-Anhydro-D-glucitol C6H12O5 164.0685 NA KEGG NA NA +C08258 (+)-Quercitol C6H12O5 164.0685 NA KEGG NA NA +C08259 (-)-Viburnitol C6H12O5 164.0685 NA KEGG NA NA +C08352 alpha-D-Quinovopyranose C6H12O5 164.0685 NA KEGG NA NA +C16538 1,5-Anhydro-D-mannitol C6H12O5 164.0685 NA KEGG NA NA +CJneg0192 3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M-H)+(HCOOH)]- C6H11O5 164.069025 C18rt(min)=4.06 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0193 Deoxyhexose [(M-H)]- C6H11O5 164.069025 C18rt(min)=0.91 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0194 2-hydroxy-3-methylbutyric acid [(M-H)+(HCOOH)]- C6H11O5 164.069025 C18rt(min)=4.9 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0195 2-hydroxy-2-methylbutyric acid [(M-H)+(HCOOH)]- C6H11O5 164.069025 C18rt(min)=4.58 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0192 3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M-H)+(HCOOH)]- C6H11O5 164.069025 C18rt(min)=4.06 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0193 Deoxyhexose [(M-H)]- C6H11O5 164.069025 C18rt(min)=0.91 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0194 2-hydroxy-3-methylbutyric acid [(M-H)+(HCOOH)]- C6H11O5 164.069025 C18rt(min)=4.9 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0195 2-hydroxy-2-methylbutyric acid [(M-H)+(HCOOH)]- C6H11O5 164.069025 C18rt(min)=4.58 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ003516 Butyl isopropyl disulfide C7H16S2 164.069341 NA MeJP NA NA +MJ003517 Butyl propyl disulfide C7H16S2 164.069341 NA MeJP NA NA +MJ003518 Isopropyl 1-methylpropyl disulfide C7H16S2 164.069341 NA MeJP NA NA +MJ003519 6-Purinol; 1,9-Dihydro-form, 1,9-Di-Me C7H8N4O 164.06981 NA MeJP NA NA +C03172 S-Methyl-L-methionine C6H14NO2S 164.0745 NA KEGG NA NA +MJ003520 S-Methylmethionine C6H14NO2S 164.074524 NA MeJP NA NA +MetaCyc01250 S-methyl-L-methionine [S-methylmethionine;] C6H14N1O2S1 164.074524 4727-40-6 metacyc NA NA +MJ003521 Dametralast C6H8N6 164.081044 NA MeJP NA NA +C06578 p-Cumate C10H12O2 164.0837 NA KEGG NA NA +C09858 Evodone C10H12O2 164.0837 NA KEGG NA NA +C09904 beta-Thujaplicin C10H12O2 164.0837 NA KEGG NA NA +C09905 gamma-Thujaplicin C10H12O2 164.0837 NA KEGG NA NA +C10453 Eugenol C10H12O2 164.0837 NA KEGG NA NA +C10469 Isoeugenol C10H12O2 164.0837 NA KEGG NA NA +C12303 Phenethyl acetate C10H12O2 164.0837 NA KEGG NA NA +HMDB05809 Eugenol C10H12O2 164.08372 http://www.hmdb.ca/metabolites/HMDB05809 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00329 2-Phenylbutyric acid C10H12O2 164.08372 http://www.hmdb.ca/metabolites/HMDB00329 HMDB NA NA +HMDB00543 Benzenebutanoic acid C10H12O2 164.08372 http://www.hmdb.ca/metabolites/HMDB00543 HMDB NA NA +HMDB01955 3-Phenylbutyric acid C10H12O2 164.08372 http://www.hmdb.ca/metabolites/HMDB01955 HMDB NA NA +HMDB05802 Isoeugenol C10H12O2 164.08372 http://www.hmdb.ca/metabolites/HMDB05802 HMDB NA NA +HMDB05809 Eugenol C10H12O2 164.08372 http://www.hmdb.ca/metabolites/HMDB05809 HMDB NA NA +HMDB05809 Eugenol C10H12O2 164.08372 http://www.hmdb.ca/metabolites/HMDB05809 PFEM_hmdb_metabocards_blood NA blood +HMDB00329 2-Phenylbutyric acid C10H12O2 164.08372 HMDB00329 PFEM_hmdb_metabocards_official NA NA +HMDB00543 Benzenebutanoic acid C10H12O2 164.08372 HMDB00543 PFEM_hmdb_metabocards_official NA NA +HMDB01955 3-Phenylbutyric acid C10H12O2 164.08372 HMDB01955 PFEM_hmdb_metabocards_official NA NA +HMDB05802 Isoeugenol C10H12O2 164.08372 HMDB05802 PFEM_hmdb_metabocards_official NA NA +HMDB05809 Eugenol C10H12O2 164.08372 HMDB05809 PFEM_hmdb_metabocards_official NA NA +HMDB00329 2-Phenylbutyric acid C10H12O2 164.083725 NA HMDB2010 NA NA +HMDB00543 Benzenebutanoic acid C10H12O2 164.083725 NA HMDB2010 NA NA +HMDB01955 3-Phenylbutyric acid C10H12O2 164.083725 NA HMDB2010 NA NA +HMDB05802 Isoeugenol C10H12O2 164.083725 NA HMDB2010 NA NA +HMDB05809 Eugenol C10H12O2 164.083725 NA HMDB2010 NA NA +MJ003522 p-Cumate C10H12O2 164.083729 NA MeJP NA NA +MJ003523 1-(4-Hydroxyphenyl)-2-propanone; Me ether C10H12O2 164.083729 NA MeJP NA NA +MJ003524 10-Hydroxy-4,6-decadiyn-3-one C10H12O2 164.083729 NA MeJP NA NA +MJ003525 2,3,4-Trimethylbenzoic acid C10H12O2 164.083729 NA MeJP NA NA +MJ003526 2,3,6-Trimethylbenzoic acid C10H12O2 164.083729 NA MeJP NA NA +MJ003527 2-Decene-4,6-diyne-1,10-diol C10H12O2 164.083729 NA MeJP NA NA +MJ003528 2-Hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one C10H12O2 164.083729 NA MeJP NA NA +MJ003529 2-Hydroxy-4(6)-isopropyl-2,4,6-cycloheptatrien-1-one C10H12O2 164.083729 NA MeJP NA NA +MJ003530 2-Hydroxy-4-isopropylbenzaldehyde C10H12O2 164.083729 NA MeJP NA NA +MJ003531 2-Hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one C10H12O2 164.083729 NA MeJP NA NA +MJ003532 2-Methoxy-4-(1-propenyl)phenol C10H12O2 164.083729 NA MeJP NA NA +MJ003533 2-Methoxy-4-(2-propenyl)phenol C10H12O2 164.083729 NA MeJP NA NA +MJ003534 2-Methoxy-5-(1-propenyl)phenol C10H12O2 164.083729 NA MeJP NA NA +MJ003535 2-Methoxy-5-(2-propenyl)phenol C10H12O2 164.083729 NA MeJP NA NA +MJ003536 3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-Me ether C10H12O2 164.083729 NA MeJP NA NA +MJ003537 3-Carene-2,5-dione C10H12O2 164.083729 NA MeJP NA NA +MJ003538 3-Hydroxy-4-phenyl-2-butanone C10H12O2 164.083729 NA MeJP NA NA +MJ003539 3-Methyl-6-(1-methyl-1-propenyl)-2H-pyran-2-one C10H12O2 164.083729 NA MeJP NA NA +MJ003540 3-Oxo-p-mentha-1,4(8)-dien-7-al C10H12O2 164.083729 NA MeJP NA NA +MJ003541 3-Oxo-p-mentha-1,8-dien-7-al C10H12O2 164.083729 NA MeJP NA NA +MJ003542 4,6-Decadiynoic acid C10H12O2 164.083729 NA MeJP NA NA +MJ003543 4-(1-Propenyl)phenol, 1',2'-Epoxide, Me ether C10H12O2 164.083729 NA MeJP NA NA +MJ003544 4-(2-Hydroxyphenyl)-2-butanone C10H12O2 164.083729 NA MeJP NA NA +MJ003545 4-(4-Hydroxyphenyl)-2-butanone C10H12O2 164.083729 NA MeJP NA NA +MJ003546 4-(4-Methyl-1,3-pentadienyl)-2(5H)-furanone C10H12O2 164.083729 NA MeJP NA NA +MJ003547 4-Isopropylbenzoic acid C10H12O2 164.083729 NA MeJP NA NA +MJ003548 4-Vinyl-1,2-benzenediol; Di-Me ether C10H12O2 164.083729 NA MeJP NA NA +MJ003549 4-Vinyl-1,3-benzenediol; Di-Me ether C10H12O2 164.083729 NA MeJP NA NA +MJ003550 5,5-Dimethyl-1,3,6-cycloheptatriene-1-carboxylic acid C10H12O2 164.083729 NA MeJP NA NA +MJ003551 5-(1-Butenyl)-6-methyl-2H-pyran-2-one C10H12O2 164.083729 NA MeJP NA NA +MJ003552 5-(4-Hexen-2-ynyl)dihydro-2(5H)-furanone C10H12O2 164.083729 NA MeJP NA NA +MJ003553 5-Pentyl-2-furancarboxaldehyde; 4',5'-Didehydro C10H12O2 164.083729 NA MeJP NA NA +MJ003554 6-(1-Pentenyl)-2H-pyran-2-one C10H12O2 164.083729 NA MeJP NA NA +MJ003555 Benzoic acid; Isopropyl ester C10H12O2 164.083729 NA MeJP NA NA +MJ003556 Benzoic acid; Propyl ester C10H12O2 164.083729 NA MeJP NA NA +MJ003557 Egomaketone C10H12O2 164.083729 NA MeJP NA NA +MJ003558 Elsholtzione; 2',3'-Didehydro C10H12O2 164.083729 NA MeJP NA NA +MJ003559 Evodone C10H12O2 164.083729 NA MeJP NA NA +MJ003560 Isoegomaketone C10H12O2 164.083729 NA MeJP NA NA +MJ003561 Lepalone C10H12O2 164.083729 NA MeJP NA NA +MJ003562 Nepetalactone, 7,8-Didehydro C10H12O2 164.083729 NA MeJP NA NA +MJ003563 Perillenal C10H12O2 164.083729 NA MeJP NA NA +MJ003564 Phenylacetic acid; Et ester C10H12O2 164.083729 NA MeJP NA NA +MJ003565 Plagiolactone C10H12O2 164.083729 NA MeJP NA NA +MJ003566 p-Mentha-3,6-diene-2,5-dione C10H12O2 164.083729 NA MeJP NA NA +MetaCyc01251 isoeugenol [] C10H12O2 164.08373 NA metacyc NA NA +MetaCyc01252 eugenol [] C10H12O2 164.08373 NA metacyc NA NA +3047 inhibitor of fibrinogen and thrombin coagulation GPR 164.087 MH2+ Inhouse_peptide NA peptide +3378 ACE inhibitor GRP 164.087 MH2+ Inhouse_peptide NA peptide +HMDB12246 Kynuramine C9H12N2O 164.094955 NA HMDB2010 NA NA +MJ003567 3-(2-Azetidinylmethoxy)pyridine C9H12N2O 164.094963 NA MeJP NA NA +MJ003568 Kynuramine C9H12N2O 164.094963 NA MeJP NA NA +MJ003569 Phenylalanine, Amide C9H12N2O 164.094963 NA MeJP NA NA +MetaCyc01253 kynuramine [diaminopropiophenone;] C9H12N2O1 164.094963 NA metacyc NA NA +C11224 Fenuron C9H12N2O 164.095 NA KEGG NA NA +C08490 Jasmone C11H16O 164.1201 NA KEGG NA NA +C14226 p-tert-Amylphenol C11H16O 164.1201 NA KEGG NA NA +C14466 4-n-Pentylphenol C11H16O 164.1201 NA KEGG NA NA +C14697 4-Isopentylphenol C11H16O 164.1201 NA KEGG NA NA +MJ003570 1-Phenyl-1-pentanol C11H16O 164.120115 NA MeJP NA NA +MJ003571 2,5,6,6-Tetramethyl-1,3-cyclohexadienecarboxaldehyde C11H16O 164.120115 NA MeJP NA NA +MJ003572 2-(4-Methylphenyl)-2-propanol; Me ether C11H16O 164.120115 NA MeJP NA NA +MJ003573 2-Isopropyl-5-methylphenol; Me ether C11H16O 164.120115 NA MeJP NA NA +MJ003574 3-Isopropyl-2-methylphenol; Me ether C11H16O 164.120115 NA MeJP NA NA +MJ003575 3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one C11H16O 164.120115 NA MeJP NA NA +MJ003576 4-Butyl-2,6-cycloheptadienone C11H16O 164.120115 NA MeJP NA NA +MJ003577 5-Isopropyl-2-methylphenol; Me ether C11H16O 164.120115 NA MeJP NA NA +MJ003578 6-Butyl-2,4-cycloheptadienone C11H16O 164.120115 NA MeJP NA NA +MJ003579 Norbicycloekasantalal C11H16O 164.120115 NA MeJP NA NA +MJ003580 Norecasantalol; Aldehyde C11H16O 164.120115 NA MeJP NA NA +MJ003581 Santalone C11H16O 164.120115 NA MeJP NA NA +MJ003582 1',3,4,4',5,5',6,6'-Octahydro-2,3'-bipyridine C10H16N2 164.131348 NA MeJP NA NA +MJ003583 1-Methyl-1-(1-methyl-2-phenylethyl)hydrazine C10H16N2 164.131348 NA MeJP NA NA +MJ003584 3-Butyl-2,5-dimethylpyrazine C10H16N2 164.131348 NA MeJP NA NA +MJ003585 11,12,13-Trinor-5-eudesmene C12H20 164.1565 NA MeJP NA NA +MJ003586 4-Isopropylidene-1-methyl-1-vinylcyclohexane C12H20 164.1565 NA MeJP NA NA +MJ003587 5-Ethyl-3-methyl-2,4,6-nonatriene C12H20 164.1565 NA MeJP NA NA +CJneg0196 Oxoproline [(M+Cl)]- C5H7ClNO3 165.019825 C18rt(min)=1.05 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0196 Oxoproline [(M+Cl)]- C5H7ClNO3 165.019825 C18rt(min)=1.05 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ003588 4-Hydroxybenzyl isothiocyanate C8H7NOS 165.024834 NA MeJP NA NA +C17243 4-Methylthiobutylthiohydroximate C5H11NOS2 165.0282 NA KEGG NA NA +MetaCyc01254 4-methylthiobutylhydroximate [4-methylthiobutylhydroxamic-acid;] C5H11N1O1S2 165.028205 NA metacyc NA NA +PARAC012 Methionine sulfoxide C5H11NO3S 165.0358 RT4.6 PFEM_hmdb_metabocards_urine NA urine +PARAC012 Methionine sulfoxide C5H11NO3S 165.0358 RT4.6 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC012 Methionine sulfoxide C5H11NO3S 165.0358 RT4.6 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC012 Methionine sulfoxide C5H11NO3S 165.0358 RT4.6 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC012 Methionine sulfoxide C5H11NO3S 165.0358 RT4.6 HMDB NA NA +PARAC012 Methionine sulfoxide C5H11NO3S 165.0358 RT4.6 Inhouse_PFEM NA NA +PARAC012 Methionine sulfoxide C5H11NO3S 165.0358 RT4.6 PFEM_hmdb_metabocards_blood NA blood +PARAC012 Methionine sulfoxide C5H11NO3S 165.0358 RT4.6 PFEM_hmdb_metabocards_official NA NA +HMDB00867 Ribonic acid C5H9O6 165.03992 http://www.hmdb.ca/metabolites/HMDB00867 HMDB NA NA +HMDB00867 Ribonic acid C5H9O6 165.03992 HMDB00867 PFEM_hmdb_metabocards_official NA NA +MetaCyc01255 3-methylxanthine [] C6H5N4O2 165.04125 NA metacyc NA NA +EUR328 Acide 4-pyridoxique F2 F2 165.041875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR328 Acide 4-pyridoxique F2 NA 165.041875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR328 Acide 4-pyridoxique F2 F2 165.041875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR328 Acide 4-pyridoxique F2 NA 165.041875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR328 Acide 4-pyridoxique F2 F2 165.041875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR328 Acide 4-pyridoxique F2 NA 165.041875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR328 Acide 4-pyridoxique F2 F2 165.041875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR328 Acide 4-pyridoxique F2 F2 165.041875 standards wishlist analysés sur QTOF HMDB NA NA +EUR328 Acide 4-pyridoxique F2 F2 165.041875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR328 Acide 4-pyridoxique F2 NA 165.041875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR328 Acide 4-pyridoxique F2 F2 165.041875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR328 Acide 4-pyridoxique F2 F2 165.041875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0369 4-Pyridoxic acid isomer [(M+H)-(H2O)]+ C8H8NO3 165.042075 C18rt(min)=5.6 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0370 4-Pyridoxic acid isomer [(M+H)-(H2O)]+ C8H8NO3 165.042075 C18rt(min)=4.8 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0369 4-Pyridoxic acid isomer [(M+H)-(H2O)]+ C8H8NO3 165.042075 C18rt(min)=5.6 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0370 4-Pyridoxic acid isomer [(M+H)-(H2O)]+ C8H8NO3 165.042075 C18rt(min)=4.8 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +HMDB03454 4-Pyridoxolactone C8H7NO3 165.042587 NA HMDB2010 NA NA +HMDB04089 Formylanthranilic acid C8H7NO3 165.042587 NA HMDB2010 NA NA +HMDB04291 5-Pyridoxolactone C8H7NO3 165.042587 NA HMDB2010 NA NA +HMDB03454 4-Pyridoxolactone C8H7NO3 165.04259 http://www.hmdb.ca/metabolites/HMDB03454 HMDB NA NA +HMDB04089 Formylanthranilic acid C8H7NO3 165.04259 http://www.hmdb.ca/metabolites/HMDB04089 HMDB NA NA +HMDB04291 5-Pyridoxolactone C8H7NO3 165.04259 http://www.hmdb.ca/metabolites/HMDB04291 HMDB NA NA +HMDB03454 4-Pyridoxolactone C8H7NO3 165.04259 HMDB03454 PFEM_hmdb_metabocards_official NA NA +HMDB04089 Formylanthranilic acid C8H7NO3 165.04259 HMDB04089 PFEM_hmdb_metabocards_official NA NA +HMDB04291 5-Pyridoxolactone C8H7NO3 165.04259 HMDB04291 PFEM_hmdb_metabocards_official NA NA +MJ003589 2,3-Dihydro-1-oxo-1H-pyrrolizine-3-carboxylic acid C8H7NO3 165.042593 NA MeJP NA NA +MJ003590 2-(4-Hydroxyphenyl)-2-oxoacetaldehyde; 1-Oxime(E-) C8H7NO3 165.042593 NA MeJP NA NA +MJ003591 2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one C8H7NO3 165.042593 NA MeJP NA NA +MJ003592 6,7-Dihydro-4H-furo[2,3-c]azepine-4,8(5H)-dione C8H7NO3 165.042593 NA MeJP NA NA +MJ003593 6-Methoxy-2(3H)-benzoxazolone C8H7NO3 165.042593 NA MeJP NA NA +MJ003594 4-Pyridoxolactone C8H7NO3 165.042593 NA MeJP NA NA +MJ003595 5-Pyridoxolactone C8H7NO3 165.042593 NA MeJP NA NA +MJ003596 Formylanthranilate C8H7NO3 165.042593 NA MeJP NA NA +MetaCyc01256 N-formylanthranilate [] C8H7N1O3 165.042593 3342-77-6 metacyc NA NA +MetaCyc01257 HBOA [2-hydroxy-2H-1,4-benzoxazin-3(4H)-one;] C8H7N1O3 165.042593 NA metacyc NA NA +MetaCyc01258 4-pyridoxolactone [] C8H7N1O3 165.042593 NA metacyc NA NA +MetaCyc01259 isatinate [α-aminophenyl glyoxylate;] C8H7N1O3 165.042593 NA metacyc NA NA +C00971 4-Pyridoxolactone C8H7NO3 165.0426 NA KEGG NA NA +C00972 Aromatic oxo acid C3H3O3R 165.0426 NA KEGG NA NA +C00973 Cyclomaltodextrin C18H30O15 165.0426 NA KEGG NA NA +C02803 4-Nitroacetophenone C8H7NO3 165.0426 NA KEGG NA NA +C03757 3,4-Dihydroxymandelonitrile C8H7NO3 165.0426 NA KEGG NA NA +C05653 Formylanthranilate C8H7NO3 165.0426 NA KEGG NA NA +C06052 5-Pyridoxolactone C8H7NO3 165.0426 NA KEGG NA NA +C15769 HBOA C8H7NO3 165.0426 NA KEGG NA NA +TEST009 Methionine sulfoxide C5H11NO3S 165.045959 http://www.hmdb.ca/metabolites/HMDB02005 PFEM_hmdb_metabocards_urine NA urine +TEST009 Methionine sulfoxide C5H11NO3S 165.045959 http://www.hmdb.ca/metabolites/HMDB02005 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +TEST009 Methionine sulfoxide C5H11NO3S 165.045959 http://www.hmdb.ca/metabolites/HMDB02005 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +TEST009 Methionine sulfoxide C5H11NO3S 165.045959 http://www.hmdb.ca/metabolites/HMDB02005 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +TEST009 Methionine sulfoxide C5H11NO3S 165.045959 http://www.hmdb.ca/metabolites/HMDB02005 HMDB NA NA +HMDB02005 Methionine sulfoxide C5H11NO3S 165.045959 NA HMDB2010 NA NA +TEST009 Methionine sulfoxide C5H11NO3S 165.045959 http://www.hmdb.ca/metabolites/HMDB02005 Inhouse_PFEM NA NA +TEST009 Methionine sulfoxide C5H11NO3S 165.045959 http://www.hmdb.ca/metabolites/HMDB02005 PFEM_hmdb_metabocards_blood NA blood +TEST009 Methionine sulfoxide C5H11NO3S 165.045959 http://www.hmdb.ca/metabolites/HMDB02005 PFEM_hmdb_metabocards_official NA NA +HMDB02005 Methionine sulfoxide C5H11NO3S 165.04596 http://www.hmdb.ca/metabolites/HMDB02005 PFEM_hmdb_metabocards_urine NA urine +HMDB02005 Methionine sulfoxide C5H11NO3S 165.04596 http://www.hmdb.ca/metabolites/HMDB02005 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02005 Methionine sulfoxide C5H11NO3S 165.04596 http://www.hmdb.ca/metabolites/HMDB02005 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02005 Methionine sulfoxide C5H11NO3S 165.04596 http://www.hmdb.ca/metabolites/HMDB02005 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02005 Methionine sulfoxide C5H11NO3S 165.04596 http://www.hmdb.ca/metabolites/HMDB02005 HMDB NA NA +HMDB02005 Methionine sulfoxide C5H11NO3S 165.04596 NA ;SYN:(2R)-2-amino-3-hydroxypropanoate; (2R)-2-amino-3-hydroxypropanoic acid; (R)-2-amino-3-hydroxypropanoate; (R)-2-amino-3-hydroxypropanoic acid; D-Serin; DL-Serine; DSN; Serine D-formH2Blood; Cerebrospinal Fluid Inhouse_peptide NA peptide +HMDB02005 Methionine sulfoxide C5H11NO3S 165.04596 http://www.hmdb.ca/metabolites/HMDB02005 PFEM_hmdb_metabocards_blood NA blood +HMDB02005 Methionine sulfoxide C5H11NO3S 165.04596 HMDB02005 PFEM_hmdb_metabocards_official NA NA +MJ003597 L-Methionine S-oxide C5H11NO3S 165.045963 NA MeJP NA NA +MJ003598 2-Amino-4-(hydroxymethylthio)butanoic acid C5H11NO3S 165.045963 NA MeJP NA NA +MJ003599 Cysteine, S-Et, S-oxide C5H11NO3S 165.045963 NA MeJP NA NA +MJ003600 Methionine sulfoxide; (S)C(S)S-form C5H11NO3S 165.045963 NA MeJP NA NA +MetaCyc01260 L-methionine sulfoxide [L-methionine-S-sulfoxide;L-methionine S-oxide;methionine sulfoxide;] C5H11N1O3S1 165.045964 454-41-1 metacyc NA NA +C02989 L-Methionine S-oxide C5H11NO3S 165.046 NA KEGG NA NA +C15998 L-Methionine (R)-S-oxide C5H11NO3S 165.046 NA KEGG NA NA +C15999 L-Methionine (S)-S-oxide C5H11NO3S 165.046 NA KEGG NA NA +C16000 Urodilatin C5H11NO3S 165.046 NA KEGG NA NA +MJ003601 3,5-Pyridinedicarboxylic acid; Diamide C7H7N3O2 165.053826 NA MeJP NA NA +MJ003602 2-Amino-3,4,5-trihydroxypentanoic acid C5H11NO5 165.063722 NA MeJP NA NA +MJ003603 Xylonic acid, Amide C5H11NO5 165.063722 NA MeJP NA NA +CJpos0371 N2-methylguanosine [(M+H)-(C5H8O4)]+ C6H8N5O 165.064475 C18rt(min)=4.52 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0371 N2-methylguanosine [(M+H)-(C5H8O4)]+ C6H8N5O 165.064475 C18rt(min)=4.52 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ003604 1-Methylguanine C6H7N5O 165.065059 NA MeJP NA NA +MJ003605 6-Amino-2-hydroxypurine; 6-N-Me C6H7N5O 165.065059 NA MeJP NA NA +MJ003606 Guanine; N2-Me C6H7N5O 165.065059 NA MeJP NA NA +HMDB00897 7-Methylguanine C6H7N5O 165.06506 http://www.hmdb.ca/metabolites/HMDB00897 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00897 7-Methylguanine C6H7N5O 165.06506 http://www.hmdb.ca/metabolites/HMDB00897 HMDB NA NA +HMDB01566 3-Methylguanine C6H7N5O 165.06506 http://www.hmdb.ca/metabolites/HMDB01566 HMDB NA NA +HMDB03282 1-Methylguanine C6H7N5O 165.06506 http://www.hmdb.ca/metabolites/HMDB03282 HMDB NA NA +HMDB06040 N2-Methylguanine C6H7N5O 165.06506 http://www.hmdb.ca/metabolites/HMDB06040 HMDB NA NA +HMDB00897 7-Methylguanine C6H7N5O 165.06506 http://www.hmdb.ca/metabolites/HMDB00897 PFEM_hmdb_metabocards_blood NA blood +HMDB00897 7-Methylguanine C6H7N5O 165.06506 HMDB00897 PFEM_hmdb_metabocards_official NA NA +HMDB01566 3-Methylguanine C6H7N5O 165.06506 HMDB01566 PFEM_hmdb_metabocards_official NA NA +HMDB03282 1-Methylguanine C6H7N5O 165.06506 HMDB03282 PFEM_hmdb_metabocards_official NA NA +HMDB06040 N2-Methylguanine C6H7N5O 165.06506 HMDB06040 PFEM_hmdb_metabocards_official NA NA +HMDB00897 7-Methylguanine C6H7N5O 165.065063 NA HMDB2010 NA NA +HMDB01566 3-Methylguanine C6H7N5O 165.065063 NA HMDB2010 NA NA +HMDB03282 1-Methylguanine C6H7N5O 165.065063 NA HMDB2010 NA NA +HMDB06040 N2-Methylguanine C6H7N5O 165.065063 NA HMDB2010 NA NA +C02230 3-Methylguanine C6H7N5O 165.0651 NA KEGG NA NA +C02242 7-Methylguanine C6H7N5O 165.0651 NA KEGG NA NA +7641 ACE inhibitor from porcine myosin (308-310) TNP 165.07095 MH2+ Inhouse_peptide NA peptide +8254 ACE inhibitor AGSP 165.071 MH2+ Inhouse_peptide NA peptide +12 Myosin TNP 165.0715 MH2+ Inhouse_peptide NA peptide +CJpos0372 Stachydrine (Proline betaine) [(M+Na)]+ C7H13NNaO2 165.076075 C18rt(min)=0.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0372 Stachydrine (Proline betaine) [(M+Na)]+ C7H13NNaO2 165.076075 C18rt(min)=0.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +PFEM053F1 L-Phenylalanine F1 165.0772 NA Inhouse_original NA NA +HMDB01921 1,1-Dimethylbiguanide C4H12ClN5 165.07812 http://www.hmdb.ca/metabolites/HMDB01921 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01921 1,1-Dimethylbiguanide C4H12ClN5 165.07812 http://www.hmdb.ca/metabolites/HMDB01921 HMDB NA NA +HMDB01921 1,1-Dimethylbiguanide C4H12ClN5 165.07812 http://www.hmdb.ca/metabolites/HMDB01921 PFEM_hmdb_metabocards_blood NA blood +HMDB01921 1,1-Dimethylbiguanide C4H12ClN5 165.07812 HMDB01921 PFEM_hmdb_metabocards_official NA NA +JH060 Phenylalanine [M+H]+ C9H11NO2 165.07844 1.66 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH060 Phenylalanine [M+H]+ C9H11NO2 165.07844 1.66 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH060 Phenylalanine [M+H]+ C9H11NO2 165.07844 1.66 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH060 Phenylalanine [M+H]+ C9H11NO2 165.07844 1.66 Inhousejuil11 NA NA +CJpos0373 Phenylalanine [M+H]+ C9H12O2N 165.078475 C18rt(min)=4.46 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0373 Phenylalanine [M+H]+ C9H12O2N 165.078475 C18rt(min)=4.46 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +EUR337 Phenylalanine F1 C9H11NO2 165.078875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR337 Phenylalanine F1 NA 165.078875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR337 Phenylalanine F1 C9H11NO2 165.078875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR337 Phenylalanine F1 NA 165.078875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR337 Phenylalanine F1 C9H11NO2 165.078875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR337 Phenylalanine F1 NA 165.078875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR337 Phenylalanine F1 C9H11NO2 165.078875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR337 Phenylalanine F1 C9H11NO2 165.078875 standards wishlist analysés sur QTOF HMDB NA NA +EUR337 Phenylalanine F1 C9H11NO2 165.078875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR337 Phenylalanine F1 C9H11NO2 165.078875 166.086075 Inhouse_sept12 NA NA +EUR337 Phenylalanine F1 NA 165.078875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR337 Phenylalanine F1 C9H11NO2 165.078875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR337 Phenylalanine F1 C9H11NO2 165.078875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ003607 5-Hydroxykynurenamine C9H11NO2 165.078978 NA MeJP NA NA +MJ003608 D-Phenylalanine C9H11NO2 165.078978 NA MeJP NA NA +MJ003609 L-Phenylalanine C9H11NO2 165.078978 NA MeJP NA NA +MJ003610 2-(Methylamino)benzoic acid; Me ester C9H11NO2 165.078978 NA MeJP NA NA +MJ003611 2-Amino-2-phenylacetic acid, N-Me C9H11NO2 165.078978 NA MeJP NA NA +MJ003612 2-Hydroxybenzamide; Et ether C9H11NO2 165.078978 NA MeJP NA NA +MJ003613 4-Aminobenzoic acid; Et ester C9H11NO2 165.078978 NA MeJP NA NA +MJ003614 4-Hydroxybenzylamine; N-Ac C9H11NO2 165.078978 NA MeJP NA NA +MJ003615 4-Methoxyaniline; N-Ac C9H11NO2 165.078978 NA MeJP NA NA +MJ003616 5-Ethyl-3-pyridinecarboxylic acid; Me ester C9H11NO2 165.078978 NA MeJP NA NA +MJ003617 Gentiatibetine C9H11NO2 165.078978 NA MeJP NA NA +MJ003618 Oxerine C9H11NO2 165.078978 NA MeJP NA NA +MJ003619 Parapropamol C9H11NO2 165.078978 NA MeJP NA NA +MJ003620 Phenylacetohydroxamic acid; N-Me C9H11NO2 165.078978 NA MeJP NA NA +MJ003621 Phenylalanine C9H11NO2 165.078978 NA MeJP NA NA +HMDB00159 L-Phenylalanine C9H11NO2 165.078979 NA HMDB2010 NA NA +HMDB01007 3-Pyridinebutanoic acid C9H11NO2 165.078979 NA HMDB2010 NA NA +HMDB04992 Benzocaine C9H11NO2 165.078979 NA HMDB2010 NA NA +HMDB06044 Norsalsolinol C9H11NO2 165.078979 NA HMDB2010 NA NA +MetaCyc01261 4-(3-pyridyl)-butanoate [4-(3-pyridyl)-butanoic acid;] C9H11N1O2 165.078979 NA metacyc NA NA +MetaCyc01262 L-phenylalanine [F;endophenyl;phenylalanine;phe;] C9H11N1O2 165.078979 63-91-2 metacyc NA NA +MetaCyc01263 D-phenylalanine [D-α-amino-β-phenylpropionic acid;] C9H11N1O2 165.078979 673-06-3 metacyc NA NA +HMDB00159 L-Phenylalanine C9H11NO2 165.07898 http://www.hmdb.ca/metabolites/HMDB00159 PFEM_hmdb_metabocards_urine NA urine +HMDB00159 L-Phenylalanine C9H11NO2 165.07898 http://www.hmdb.ca/metabolites/HMDB00159 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00159 L-Phenylalanine C9H11NO2 165.07898 http://www.hmdb.ca/metabolites/HMDB00159 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00159 L-Phenylalanine C9H11NO2 165.07898 http://www.hmdb.ca/metabolites/HMDB00159 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00159 L-Phenylalanine C9H11NO2 165.07898 http://www.hmdb.ca/metabolites/HMDB00159 HMDB NA NA +HMDB04992 Benzocaine C9H11NO2 165.07898 http://www.hmdb.ca/metabolites/HMDB04992 HMDB NA NA +HMDB00159 L-Phenylalanine C9H11NO2 165.07898 NA ;SYN:3-Sulphino-L-alanine; Cysteine sulfinic acid; Cysteine sulfinate; 3-sulfino- Alanine; 3-Sulfino-L-alanine; L-cysteinesulfinic acid; L-cysteine sulfinic acid; Cysteine hydrogen sulfite ester; Alanine 3-sulfinic acidH2Blood; Cerebrospinal Fluid Inhouse_peptide NA peptide +HMDB00159 L-Phenylalanine C9H11NO2 165.07898 http://www.hmdb.ca/metabolites/HMDB00159 PFEM_hmdb_metabocards_blood NA blood +HMDB00159 L-Phenylalanine C9H11NO2 165.07898 HMDB00159 PFEM_hmdb_metabocards_official NA NA +HMDB04992 Benzocaine C9H11NO2 165.07898 HMDB04992 PFEM_hmdb_metabocards_official NA NA +EUR031 L-Phenylalanine C9H11NO2 165.079 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR618 Phenylalanine [M+H]+ 165.079 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR031 L-Phenylalanine C9H11NO2 165.079 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR618 Phenylalanine [M+H]+ 165.079 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR031 L-Phenylalanine C9H11NO2 165.079 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR618 Phenylalanine [M+H]+ 165.079 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR031 L-Phenylalanine C9H11NO2 165.079 Wishlist Inhousejuil11 NA NA +EUR618 Phenylalanine [M+H]+ 165.079 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00079 L-Phenylalanine C9H11NO2 165.079 NA KEGG NA NA +C02057 Phenylalanine C9H11NO2 165.079 NA KEGG NA NA +C02058 Phosphoramide PNH3O3R 165.079 NA KEGG NA NA +C02265 D-Phenylalanine C9H11NO2 165.079 NA KEGG NA NA +C07527 Benzocaine C9H11NO2 165.079 NA KEGG NA NA +C18090 Tricaine C9H11NO2 165.079 NA KEGG NA NA +PJ000019 F C9H11NO2 165.079 NA PeJP NA NA +EUR559 phenylalanine [M+H]+ 165.079175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR559 phenylalanine [M+H]+ 165.079175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR559 phenylalanine [M+H]+ 165.079175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR559 phenylalanine [M+H]+ 165.079175 identifies dans serum NuGO Inhousejuil11 NA NA +CJneg0197 Phenylalanine [M-H]- C9H10O2N 165.079525 C18rt(min)=4.46 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0198 Tetrahydrohippuric acid [(M-H)-H2O]- C9H10O2N 165.079525 C18rt(min)=6.33 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0197 Phenylalanine [M-H]- C9H10O2N 165.079525 C18rt(min)=4.46 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0198 Tetrahydrohippuric acid [(M-H)-H2O]- C9H10O2N 165.079525 C18rt(min)=6.33 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +3749 NA KPS 165.089 MH2+ Inhouse_peptide NA peptide +7741 ACE inhibitor RR 165.101 MH2+ Inhouse_peptide NA peptide +7569 ACE inhibitor from chicken muscle LKA 165.1075 MH2+ Inhouse_peptide NA peptide +7626 ACE inhibitor from k-CN (fr, 22-24) IAK 165.1075 MH2+ Inhouse_peptide NA peptide +8132 peptide derived from dried bonito KAI 165.1075 MH2+ Inhouse_peptide NA peptide +39 Creatine kinase LKA 165.108 MH2+ Inhouse_peptide NA peptide +HMDB01943 Pseudoephedrine C10H15NO 165.115356 NA HMDB2010 NA NA +HMDB04366 Hordenine C10H15NO 165.115356 NA HMDB2010 NA NA +HMDB01943 Pseudoephedrine C10H15NO 165.11536 http://www.hmdb.ca/metabolites/HMDB01943 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01943 Pseudoephedrine C10H15NO 165.11536 http://www.hmdb.ca/metabolites/HMDB01943 HMDB NA NA +HMDB04366 Hordenine C10H15NO 165.11536 http://www.hmdb.ca/metabolites/HMDB04366 HMDB NA NA +HMDB01943 Pseudoephedrine C10H15NO 165.11536 http://www.hmdb.ca/metabolites/HMDB01943 PFEM_hmdb_metabocards_blood NA blood +HMDB01943 Pseudoephedrine C10H15NO 165.11536 HMDB01943 PFEM_hmdb_metabocards_official NA NA +HMDB04366 Hordenine C10H15NO 165.11536 HMDB04366 PFEM_hmdb_metabocards_official NA NA +MJ003622 Hordenine C10H15NO 165.115364 NA MeJP NA NA +MJ003623 2-(4-Methoxyphenyl)ethylamine; N-Me C10H15NO 165.115364 NA MeJP NA NA +MJ003624 2-(Methylamino)-1-phenyl-1-propanol C10H15NO 165.115364 NA MeJP NA NA +MJ003625 2-Dimethylamino-1-phenylethanol C10H15NO 165.115364 NA MeJP NA NA +MJ003626 4-(2-Aminopropyl)phenol, Me ether C10H15NO 165.115364 NA MeJP NA NA +MJ003627 Ferruginine C10H15NO 165.115364 NA MeJP NA NA +MJ003628 Homotyramine; N-Me C10H15NO 165.115364 NA MeJP NA NA +MJ003629 Hordenine C10H15NO 165.115364 NA MeJP NA NA +MJ003630 Lindenialine C10H15NO 165.115364 NA MeJP NA NA +MJ003631 Pholedrine C10H15NO 165.115364 NA MeJP NA NA +MJ003632 Talsaclidine C10H15NO 165.115364 NA MeJP NA NA +MetaCyc01264 (R)-2-methylimino-1-phenylpropan-1-ol [] C10H15N1O1 165.115364 NA metacyc NA NA +MetaCyc01265 (-)-ephedrine [] C10H15N1O1 165.115364 299-42-3 metacyc NA NA +C01575 Ephedrine C10H15NO 165.1154 NA KEGG NA NA +C02765 (+)-Pseudoephedrine C10H15NO 165.1154 NA KEGG NA NA +C06199 Hordenine C10H15NO 165.1154 NA KEGG NA NA +C10841 Anatoxin a C10H15NO 165.1154 NA KEGG NA NA +MJ003633 2-Amino-3,5,6-trimethylpyrazine; N,N-Di-Me C9H15N3 165.126597 NA MeJP NA NA +MJ003634 4,5,6,7-Tetrahydro-2H-indazol-3-amine; N2,3-N-Di-Me C9H15N3 165.126597 NA MeJP NA NA +MJ003635 Immepip C9H15N3 165.126597 NA MeJP NA NA +C17932 Immepip C9H15N3 165.1266 NA KEGG NA NA +MJ003636 ?4-Dehydroskytanthine C11H19N 165.151749 NA MeJP NA NA +MJ003637 ?4a-Dehydroskytanthine C11H19N 165.151749 NA MeJP NA NA +2872 opioid lipotropin fr:14-17 NAGA 165.56895 MH2+ Inhouse_peptide NA peptide +7824 ACE inhibitor from micro algae IAE 165.5815 MH2+ Inhouse_peptide NA peptide +MJ003638 Potassium iodide IK 165.868175 NA MeJP NA NA +C08219 Potassium iodide K 165.8682 NA KEGG NA NA +C08220 Transferred to D01017 K 165.8682 NA KEGG NA NA +C08221 Transferred to D01018 K 165.8682 NA KEGG NA NA +C08222 Transferred to D01019 K 165.8682 NA KEGG NA NA +C08223 Transferred to D01020 K 165.8682 NA KEGG NA NA +C08224 Transferred to D01021 K 165.8682 NA KEGG NA NA +C08225 Transferred to D01022 K 165.8682 NA KEGG NA NA +C08226 Transferred to D00756 K 165.8682 NA KEGG NA NA +C08227 Transferred to D01024 K 165.8682 NA KEGG NA NA +MJ003639 1,1,2,2-Tetrachloroethane C2H2Cl4 165.89106 NA MeJP NA NA +MetaCyc01266 1,1,2,2-tetrachloroethane [] C2H2CL4 165.891061 NA metacyc NA NA +MetaCyc01267 1,1,1,2-tetrachloroethane [] C2H2CL4 165.891061 NA metacyc NA NA +C14705 1,1,1,2-Tetrachloroethane C2H2Cl4 165.8911 NA KEGG NA NA +MetaCyc01268 3-bromopyruvate [bromopyruvate;3-bromopyruvic acid;bromopyruvic acid;3-bromo-2-oxopropanoic acid;] C3H3O3BR1 165.926557 NA metacyc NA NA +C14873 Thiodiacetic acid sulfoxide C4H6O5S 165.9936 NA KEGG NA NA +MJ003640 3,5-Dialkyl-1,2,4-trithiolanes; 3-Ethyl-5-methyl-1,2,4-trithiolane C5H10S3 165.994462 NA MeJP NA NA +C17948 Deamino-alpha-keto-demethylphosphinothricin C4H7O5P 166.0031 NA KEGG NA NA +C01606 Phthalate C8H6O4 166.0266 NA KEGG NA NA +C03590 4-Hydroxyphenylglyoxylate C8H6O4 166.0266 NA KEGG NA NA +C06337 Terephthalate C8H6O4 166.0266 NA KEGG NA NA +C14096 3-Formylsalicylic acid C8H6O4 166.0266 NA KEGG NA NA +C14100 4-Formylsalicylic acid C8H6O4 166.0266 NA KEGG NA NA +MJ003641 1,2-Benzenedicarboxylic acid C8H6O4 166.026608 NA MeJP NA NA +MJ003642 1,3-Benzenedicarboxylic acid C8H6O4 166.026608 NA MeJP NA NA +MJ003643 1,4-Benzenedicarboxylic acid C8H6O4 166.026608 NA MeJP NA NA +MJ003644 2-(4-Hydroxyphenyl)-2-oxoacetic acid C8H6O4 166.026608 NA MeJP NA NA +MJ003645 2-Formyl-6-hydroxybenzoic acid C8H6O4 166.026608 NA MeJP NA NA +MJ003646 3,4-Methylenedioxybenzoic acid C8H6O4 166.026608 NA MeJP NA NA +MJ003647 5,6-Dihydroxy-1(3H)-isobenzofuranone C8H6O4 166.026608 NA MeJP NA NA +MJ003648 5,7-Dihydroxy-1(3H)-isobenzofuranone C8H6O4 166.026608 NA MeJP NA NA +MJ003649 4-Hydroxyphenylglyoxylate C8H6O4 166.026608 NA MeJP NA NA +MJ003650 Phthalate C8H6O4 166.026608 NA MeJP NA NA +MJ003651 Terephthalate C8H6O4 166.026608 NA MeJP NA NA +MetaCyc01269 terephthalate [1,4-dicarboxybenzene;] C8H6O4 166.026609 NA metacyc NA NA +MetaCyc01270 phthalate [phthalic acid;1,2-benzenedicarboxylic acid;o-benzenedicarboxylic acid;benzene-1,2-dicarboxylic acid;o-phthalic acid;o-dicarboxybenzene;] C8H6O4 166.026609 88-99-3 metacyc NA NA +MetaCyc01271 p-hydroxybenzoylformate [4-hydroxyphenylglyoxylate;4-hydroxybenzoylformate;2-(4-hydroxyphenyl)-2-oxo-acetic acid;] C8H6O4 166.026609 NA metacyc NA NA +HMDB02428 Terephthalic acid C8H6O4 166.02661 http://www.hmdb.ca/metabolites/HMDB02428 PFEM_hmdb_metabocards_urine NA urine +HMDB02107 Phthalic acid C8H6O4 166.02661 http://www.hmdb.ca/metabolites/HMDB02107 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02428 Terephthalic acid C8H6O4 166.02661 http://www.hmdb.ca/metabolites/HMDB02428 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02428 Terephthalic acid C8H6O4 166.02661 http://www.hmdb.ca/metabolites/HMDB02428 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02107 Phthalic acid C8H6O4 166.02661 http://www.hmdb.ca/metabolites/HMDB02107 HMDB NA NA +HMDB02334 Benzoquinoneacetic acid C8H6O4 166.02661 http://www.hmdb.ca/metabolites/HMDB02334 HMDB NA NA +HMDB02428 Terephthalic acid C8H6O4 166.02661 http://www.hmdb.ca/metabolites/HMDB02428 HMDB NA NA +HMDB02107 Phthalic acid C8H6O4 166.02661 http://www.hmdb.ca/metabolites/HMDB02107 PFEM_hmdb_metabocards_blood NA blood +HMDB02107 Phthalic acid C8H6O4 166.02661 HMDB02107 PFEM_hmdb_metabocards_official NA NA +HMDB02334 Benzoquinoneacetic acid C8H6O4 166.02661 HMDB02334 PFEM_hmdb_metabocards_official NA NA +HMDB02428 Terephthalic acid C8H6O4 166.02661 HMDB02428 PFEM_hmdb_metabocards_official NA NA +HMDB02107 Phthalic acid C8H6O4 166.026611 NA HMDB2010 NA NA +HMDB02334 Benzoquinoneacetic acid C8H6O4 166.026611 NA HMDB2010 NA NA +HMDB02428 Terephthalic acid C8H6O4 166.026611 NA HMDB2010 NA NA +EUR234 Sialic acid F8 F8 166.030175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR234 Acide sialique F8 NA 166.030175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR234 Sialic acid F8 F8 166.030175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR234 Acide sialique F8 NA 166.030175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR234 Sialic acid F8 F8 166.030175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR234 Acide sialique F8 NA 166.030175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR234 Sialic acid F8 F8 166.030175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR234 Sialic acid F8 F8 166.030175 standards wishlist analysés sur QTOF HMDB NA NA +EUR234 Sialic acid F8 F8 166.030175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR234 Acide sialique F8 NA 166.030175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR234 Sialic acid F8 F8 166.030175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR234 Sialic acid F8 F8 166.030175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C16614 6-Methylmercaptopurine C6H6N4S 166.0313 NA KEGG NA NA +C12114 4-Hydroxy-3-nitrosobenzamide C7H6N2O3 166.0378 NA KEGG NA NA +MJ003652 4-Hydroxy-3-nitrosobenzoic acid; Amide C7H6N2O3 166.037842 NA MeJP NA NA +C00502 D-Xylonate C5H10O6 166.0477 NA KEGG NA NA +C00545 L-Arabinonate C5H10O6 166.0477 NA KEGG NA NA +C00878 D-Arabinonate C5H10O6 166.0477 NA KEGG NA NA +C01685 D-Ribonate C5H10O6 166.0477 NA KEGG NA NA +C01687 Desmycosin C5H10O6 166.0477 NA KEGG NA NA +C05411 L-Xylonate C5H10O6 166.0477 NA KEGG NA NA +C05412 L-Lyxonate C5H10O6 166.0477 NA KEGG NA NA +MJ003653 Xylonic acid C5H10O6 166.047738 NA MeJP NA NA +MJ003654 D-Xylonate C5H10O6 166.047738 NA MeJP NA NA +MJ003655 L-Arabinonate C5H10O6 166.047738 NA MeJP NA NA +MJ003656 L-Lyxonate C5H10O6 166.047738 NA MeJP NA NA +MJ003657 L-Xylonate C5H10O6 166.047738 NA MeJP NA NA +MetaCyc01272 L-xylonate [xylonate;] C5H10O6 166.047738 NA metacyc NA NA +MetaCyc01273 D-xylonate [] C5H10O6 166.047738 526-91-0 metacyc NA NA +MetaCyc01274 D-Ribonate [] C5H10O6 166.047738 NA metacyc NA NA +MetaCyc01275 L-arabinonate [] C5H10O6 166.047738 608-53-7 metacyc NA NA +MetaCyc01276 D-arabinonate [] C5H10O6 166.047738 NA metacyc NA NA +HMDB00539 Arabinonic acid C5H10O6 166.04774 http://www.hmdb.ca/metabolites/HMDB00539 HMDB NA NA +HMDB00539 Arabinonic acid C5H10O6 166.04774 HMDB00539 PFEM_hmdb_metabocards_official NA NA +HMDB00539 Arabinonic acid C5H10O6 166.047745 NA HMDB2010 NA NA +HMDB00867 Ribonic acid C5H10O6 166.047745 NA HMDB2010 NA NA +CJneg0199 Ribonic acic (and isomers) [(M-H)]- C5H9O6 166.048325 C18rt(min)=0.94 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0199 Ribonic acic (and isomers) [(M-H)]- C5H9O6 166.048325 C18rt(min)=0.94 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0374 7-Methylxanthine [(M+H)]+ C6H7N4O2 166.048575 C18rt(min)=4.01 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0375 1-Methylxanthine [(M+H)]+ C6H7N4O2 166.048575 C18rt(min)=4.23 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0376 9-Methylxanthine [(M+H)]+ C6H7N4O2 166.048575 C18rt(min)=4.3 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0374 7-Methylxanthine [(M+H)]+ C6H7N4O2 166.048575 C18rt(min)=4.01 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0375 1-Methylxanthine [(M+H)]+ C6H7N4O2 166.048575 C18rt(min)=4.23 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0376 9-Methylxanthine [(M+H)]+ C6H7N4O2 166.048575 C18rt(min)=4.3 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ003658 Dipropyl disulfide; S-Oxide C6H14OS2 166.048606 NA MeJP NA NA +HMDB01886 3-Methylxanthine C6H6N4O2 166.049072 NA HMDB2010 NA NA +HMDB01991 7-Methylxanthine C6H6N4O2 166.049072 NA HMDB2010 NA NA +HMDB10738 1-Methylxanthine C6H6N4O2 166.049072 NA HMDB2010 NA NA +MJ003659 3,7-Dihydro-3-methyl-1H-purine-2,6-dione C6H6N4O2 166.049075 NA MeJP NA NA +MJ003660 Xanthine; 7H-form, 7-Me C6H6N4O2 166.049075 NA MeJP NA NA +MetaCyc01277 7-methylxanthine [] C6H6N4O2 166.049075 NA metacyc NA NA +HMDB01886 3-Methylxanthine C6H6N4O2 166.04909 http://www.hmdb.ca/metabolites/HMDB01886 HMDB NA NA +HMDB01991 7-Methylxanthine C6H6N4O2 166.04909 http://www.hmdb.ca/metabolites/HMDB01991 HMDB NA NA +HMDB01886 3-Methylxanthine C6H6N4O2 166.04909 HMDB01886 PFEM_hmdb_metabocards_official NA NA +HMDB01991 7-Methylxanthine C6H6N4O2 166.04909 HMDB01991 PFEM_hmdb_metabocards_official NA NA +C16353 7-Methylxanthine C6H6N4O2 166.0491 NA KEGG NA NA +C16357 3-Methylxanthine C6H6N4O2 166.0491 NA KEGG NA NA +C16358 1-Methylxanthine C6H6N4O2 166.0491 NA KEGG NA NA +CJneg0200 1-Methylxanthine [(M-H)]- C6H5N4O2 166.049625 C18rt(min)=4.23 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0201 9-Methylxanthine [(M-H)]- C6H5N4O2 166.049625 C18rt(min)=4.3 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0202 7-Methylxanthine [(M-H)]- C6H5N4O2 166.049625 C18rt(min)=4.01 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0200 1-Methylxanthine [(M-H)]- C6H5N4O2 166.049625 C18rt(min)=4.23 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0201 9-Methylxanthine [(M-H)]- C6H5N4O2 166.049625 C18rt(min)=4.3 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0202 7-Methylxanthine [(M-H)]- C6H5N4O2 166.049625 C18rt(min)=4.01 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ003661 2-Ethyl-4-pyridinecarbothioamide C8H10N2S 166.056469 NA MeJP NA NA +C07665 Ethionamide C8H10N2S 166.0565 NA KEGG NA NA +HMDB00375 3-(3-Hydroxyphenyl)propanoic acid C9H10O3 166.062988 NA HMDB2010 NA NA +HMDB00748 L-3-Phenyllactic acid C9H10O3 166.062988 NA HMDB2010 NA NA +HMDB00779 Phenyllactic acid C9H10O3 166.062988 NA HMDB2010 NA NA +HMDB02072 4-Methoxyphenylacetic acid C9H10O3 166.062988 NA HMDB2010 NA NA +HMDB02199 Desaminotyrosine C9H10O3 166.062988 NA HMDB2010 NA NA +HMDB02229 3-Phenoxypropionic acid C9H10O3 166.062988 NA HMDB2010 NA NA +HMDB05175 Homovanillin C9H10O3 166.062988 NA HMDB2010 NA NA +HMDB00375 3-(3-Hydroxyphenyl)propanoic acid C9H10O3 166.06299 http://www.hmdb.ca/metabolites/HMDB00375 PFEM_hmdb_metabocards_urine NA urine +HMDB00375 3-(3-Hydroxyphenyl)propanoic acid C9H10O3 166.06299 http://www.hmdb.ca/metabolites/HMDB00375 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00375 3-(3-Hydroxyphenyl)propanoic acid C9H10O3 166.06299 http://www.hmdb.ca/metabolites/HMDB00375 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00375 3-(3-Hydroxyphenyl)propanoic acid C9H10O3 166.06299 http://www.hmdb.ca/metabolites/HMDB00375 HMDB NA NA +HMDB00475 Atrolactic acid C9H10O3 166.06299 http://www.hmdb.ca/metabolites/HMDB00475 HMDB NA NA +HMDB00563 D-Phenyllactic acid C9H10O3 166.06299 http://www.hmdb.ca/metabolites/HMDB00563 HMDB NA NA +HMDB00779 Phenyllactic acid C9H10O3 166.06299 http://www.hmdb.ca/metabolites/HMDB00779 HMDB NA NA +HMDB02072 4-Methoxyphenylacetic acid C9H10O3 166.06299 http://www.hmdb.ca/metabolites/HMDB02072 HMDB NA NA +HMDB02199 Desaminotyrosine C9H10O3 166.06299 http://www.hmdb.ca/metabolites/HMDB02199 HMDB NA NA +HMDB02229 3-Phenoxypropionic acid C9H10O3 166.06299 http://www.hmdb.ca/metabolites/HMDB02229 HMDB NA NA +HMDB05175 Homovanillin C9H10O3 166.06299 http://www.hmdb.ca/metabolites/HMDB05175 HMDB NA NA +HMDB00375 3-(3-Hydroxyphenyl)propanoic acid C9H10O3 166.06299 HMDB00375 PFEM_hmdb_metabocards_official NA NA +HMDB00475 Atrolactic acid C9H10O3 166.06299 HMDB00475 PFEM_hmdb_metabocards_official NA NA +HMDB00563 D-Phenyllactic acid C9H10O3 166.06299 HMDB00563 PFEM_hmdb_metabocards_official NA NA +HMDB00779 Phenyllactic acid C9H10O3 166.06299 HMDB00779 PFEM_hmdb_metabocards_official NA NA +HMDB02072 4-Methoxyphenylacetic acid C9H10O3 166.06299 HMDB02072 PFEM_hmdb_metabocards_official NA NA +HMDB02199 Desaminotyrosine C9H10O3 166.06299 HMDB02199 PFEM_hmdb_metabocards_official NA NA +HMDB02229 3-Phenoxypropionic acid C9H10O3 166.06299 HMDB02229 PFEM_hmdb_metabocards_official NA NA +HMDB05175 Homovanillin C9H10O3 166.06299 HMDB05175 PFEM_hmdb_metabocards_official NA NA +MJ003662 1-(3,5-Dihydroxyphenyl)-2-propanone C9H10O3 166.062994 NA MeJP NA NA +MJ003663 1-(3-Furanyl)-1,4-pentanedione C9H10O3 166.062994 NA MeJP NA NA +MJ003664 2',4'-Dihydroxy-6'-methylacetophenone C9H10O3 166.062994 NA MeJP NA NA +MJ003665 2',4'-Dihydroxyacetophenone; 4'-Me ether C9H10O3 166.062994 NA MeJP NA NA +MJ003666 2',5'-Dihydroxy-4'-methylacetophenone C9H10O3 166.062994 NA MeJP NA NA +MJ003667 2',5'-Dihydroxyacetophenone; 5-Me ether C9H10O3 166.062994 NA MeJP NA NA +MJ003668 2,4-Dihydroxy-3,6-dimethylbenzaldehyde C9H10O3 166.062994 NA MeJP NA NA +MJ003669 2,4-Dihydroxy-6-methylbenzaldehyde; 2-Me ether C9H10O3 166.062994 NA MeJP NA NA +MJ003670 2-(4-Hydroxyphenyl)propanoic acid C9H10O3 166.062994 NA MeJP NA NA +MJ003671 2-Hydroxy-3-phenylpropanoic acid C9H10O3 166.062994 NA MeJP NA NA +MJ003672 2-Hydroxybenzoic acid; Et ester C9H10O3 166.062994 NA MeJP NA NA +MJ003673 2-Methoxybenzoic acid; Me ester C9H10O3 166.062994 NA MeJP NA NA +MJ003674 3',4'-Dihydroxyacetophenone; 3'-Me ether C9H10O3 166.062994 NA MeJP NA NA +MJ003675 3',4'-Dihydroxyacetophenone; 4'-Me ether C9H10O3 166.062994 NA MeJP NA NA +MJ003676 3,4-Dihydroxybenzaldehyde; 3-Et ether C9H10O3 166.062994 NA MeJP NA NA +MJ003677 3,4-Dimethoxybenzaldehyde C9H10O3 166.062994 NA MeJP NA NA +MJ003678 3-(2-Hydroxyphenyl)propanoic acid C9H10O3 166.062994 NA MeJP NA NA +MJ003679 3-(4-Hydroxyphenyl)propanoic acid C9H10O3 166.062994 NA MeJP NA NA +MJ003680 3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone C9H10O3 166.062994 NA MeJP NA NA +MJ003681 3-Hydroxy-2,5-dimethyl-1,4-benzoquinone; Me ether C9H10O3 166.062994 NA MeJP NA NA +MJ003682 3-Hydroxy-3-phenylpropanoic acid C9H10O3 166.062994 NA MeJP NA NA +MJ003683 4-(2-Hydroxyethyl)benzoic acid C9H10O3 166.062994 NA MeJP NA NA +MJ003684 4-Hydroxy-6-phenyl-2(1H)-pyranone; Me ether C9H10O3 166.062994 NA MeJP NA NA +MJ003685 4-Hydroxybenzoic acid; Et ester C9H10O3 166.062994 NA MeJP NA NA +MJ003686 4-Hydroxyphenylacetic acid; Me ester C9H10O3 166.062994 NA MeJP NA NA +MJ003687 4-Methoxybenzoic acid; Me ester C9H10O3 166.062994 NA MeJP NA NA +MJ003688 4-Nonene-6,8-diyne-1,2,3-triol C9H10O3 166.062994 NA MeJP NA NA +MJ003689 5-(1-Propenyl)-1,2,3-benzenetriol C9H10O3 166.062994 NA MeJP NA NA +MJ003690 6-Deoxyaucubigenin; 1-Ketone (lactone) C9H10O3 166.062994 NA MeJP NA NA +MJ003691 8,9-Dihydroxy-4,6-nonadiyn-3-one C9H10O3 166.062994 NA MeJP NA NA +MJ003692 3-(2-Hydroxyphenyl)propanoate C9H10O3 166.062994 NA MeJP NA NA +MJ003693 3-Methoxy-4-hydroxyphenylacetaldehyde C9H10O3 166.062994 NA MeJP NA NA +MJ003694 Phenyllactate C9H10O3 166.062994 NA MeJP NA NA +MJ003695 Tropate C9H10O3 166.062994 NA MeJP NA NA +MetaCyc01278 veratraldehyde [3,4-dimethoxybenzaldehyde;] C9H10O3 166.062994 120-14-9 metacyc NA NA +MetaCyc01279 tropate [] C9H10O3 166.062994 529-64-6 metacyc NA NA +MetaCyc01280 phloretate [] C9H10O3 166.062994 501-97-3 metacyc NA NA +MetaCyc01281 (R)-phenyllactate [] C9H10O3 166.062994 NA metacyc NA NA +MetaCyc01282 3-(3-hydroxyphenyl)propionate [3-(3-hydroxyphenyl)propionic acid;m-hydroxyphenylpropionic acid;m-hydroxyphenylpropionate;MHP;3HPP;] C9H10O3 166.062994 NA metacyc NA NA +MetaCyc01283 melilotate [3-(2-Hydroxyphenyl) propionate;3-(2-Hydroxyphenyl)propionic acid;3-(o-Hydroxyphenyl) propionic acid;3-(2-hydroxyphenyl)propanoate;] C9H10O3 166.062994 495-78-3 metacyc NA NA +EUR619 D-3-Phenyllactic acid NA 166.062995 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +EUR619 D-3-Phenyllactic acid NA 166.062995 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR619 D-3-Phenyllactic acid NA 166.062995 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR619 D-3-Phenyllactic acid NA 166.062995 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR619 D-3-Phenyllactic acid NA 166.062995 identifiés dans standard mixture NuGO HMDB NA NA +EUR619 D-3-Phenyllactic acid NA 166.062995 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +EUR619 D-3-Phenyllactic acid NA 166.062995 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR619 D-3-Phenyllactic acid NA 166.062995 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +EUR619 D-3-Phenyllactic acid [M-H]- 166.063 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR619 D-3-Phenyllactic acid [M-H]- 166.063 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR619 D-3-Phenyllactic acid [M-H]- 166.063 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR619 D-3-Phenyllactic acid [M-H]- 166.063 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C01198 3-(2-Hydroxyphenyl)propanoate C9H10O3 166.063 NA KEGG NA NA +C01199 5'-Hydroxyoligoribonucleotide C10H17O10PR2 166.063 NA KEGG NA NA +C01200 N-Acylneuraminate 9-phosphate C10H17NO12PR 166.063 NA KEGG NA NA +C01456 Tropate C9H10O3 166.063 NA KEGG NA NA +C01744 Phloretate C9H10O3 166.063 NA KEGG NA NA +C02201 Veratraldehyde C9H10O3 166.063 NA KEGG NA NA +C02363 3-Ethoxybenzoate C9H10O3 166.063 NA KEGG NA NA +C03080 4-Hydroxyhydratropate C9H10O3 166.063 NA KEGG NA NA +C05581 3-Methoxy-4-hydroxyphenylacetaldehyde C9H10O3 166.063 NA KEGG NA NA +C05607 Phenyllactate C9H10O3 166.063 NA KEGG NA NA +C10712 Paeonol C9H10O3 166.063 NA KEGG NA NA +C11380 Apocynin C9H10O3 166.063 NA KEGG NA NA +C11457 3-(3-Hydroxy-phenyl)-propanoic acid C9H10O3 166.063 NA KEGG NA NA +C12206 Caffeyl alcohol C9H10O3 166.063 NA KEGG NA NA +CJneg0203 Phenyllactic acid [(M-H)]- C9H9O3 166.063525 C18rt(min)=6.62 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0203 Phenyllactic acid [(M-H)]- C9H9O3 166.063525 C18rt(min)=6.62 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +3201 chymotrypsin inhibitor GAW 166.0685 MH2+ Inhouse_peptide NA peptide +MJ003696 2-Amino-3-(2-pyridinyl)propanoic acid C8H10N2O2 166.074227 NA MeJP NA NA +MJ003697 4,5,6,7-Tetrahydro-2H-pyrrolo[3,4-c]pyridine-6-carboxylic acid C8H10N2O2 166.074227 NA MeJP NA NA +MJ003698 Cephalosporidine C8H10N2O2 166.074227 NA MeJP NA NA +MJ003699 Clavulazine C8H10N2O2 166.074227 NA MeJP NA NA +MJ003700 Fluorene C13H10 166.07825 NA MeJP NA NA +MJ003701 1,3,11-Tridecatriene-5,7,9-triyne C13H10 166.07825 NA MeJP NA NA +MJ003702 1,3,5-Tridecatriene-7,9,11-triyne C13H10 166.07825 NA MeJP NA NA +MJ003703 1-Phenyl-5-heptene-1,3-diyne C13H10 166.07825 NA MeJP NA NA +MetaCyc01284 fluorene [9H-Fluorene;o-Biphenylenemethane;diphenylenemethane;2,2'-methylenebiphenyl;o-biphenylmethane;2,3-benzindene;α-diphenylenemethane-9H-fluorene;] C13H10 166.07825 NA metacyc NA NA +C07715 Fluorene C13H10 166.0783 NA KEGG NA NA +C07716 Transferred to D00631 C13H10 166.0783 NA KEGG NA NA +C08457 1-Phenyl-5-heptene-1,3-diyne C13H10 166.0783 NA KEGG NA NA +MJ003704 3-(4-Methyl-3-pentenyl)thiophene C10H14S 166.081621 NA MeJP NA NA +MJ003705 3-Methyl-2-(3-methyl-2-butenyl)thiophene C10H14S 166.081621 NA MeJP NA NA +CJpos0377 Phenylalanine [M+H]+ (13C) C8[13]CH12O2N 166.081775 C18rt(min)=4.46 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0377 Phenylalanine [M+H]+ (13C) C8[13]CH12O2N 166.081775 C18rt(min)=4.46 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ003706 1-Deoxyglucitol C6H14O5 166.084123 NA MeJP NA NA +MJ003707 6-Deoxyglucitol C6H14O5 166.084123 NA MeJP NA NA +MJ003708 Rhamnitol C6H14O5 166.084123 NA MeJP NA NA +3386 ACE inhibitor KW 166.0865 MH2+ Inhouse_peptide NA peptide +JH134 Syringic acid [M+H-OMe]+ NA 166.0908 11.87 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH134 Syringic acid [M+H-OMe]+ NA 166.0908 11.87 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH134 Syringic acid [M+H-OMe]+ NA 166.0908 11.87 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH134 Syringic acid [M+H-OMe]+ NA 166.0908 11.87 Inhousejuil11 NA NA +MJ003709 Cyromazine, ANSI C6H10N6 166.096694 NA MeJP NA NA +MetaCyc01285 N-cyclopropylmelamine [cypromazine;larvadex;vetrazin;vetrazine;azimethiphos;] C6H10N6 166.096694 NA metacyc NA NA +C14147 Cyromazine C6H10N6 166.0967 NA KEGG NA NA +CJpos0378 Heptylmalonic acid [(M+H)-2(H2O)]+ C10H15O2 166.098875 C18rt(min)=6.05 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0378 Heptylmalonic acid [(M+H)-2(H2O)]+ C10H15O2 166.098875 C18rt(min)=6.05 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ003710 1,2-Epoxy-p-menth-4(8)-en-3-one C10H14O2 166.099379 NA MeJP NA NA +MJ003711 1,2:3,4-Diepoxy-p-menth-8-ene C10H14O2 166.099379 NA MeJP NA NA +MJ003712 1,4-Epidioxy-p-mentha-2,8-diene C10H14O2 166.099379 NA MeJP NA NA +MJ003713 1,6-Epoxy-p-menth-8-en-2-one C10H14O2 166.099379 NA MeJP NA NA +MJ003714 1-(3-Furanyl)-4-methyl-1-pentanone C10H14O2 166.099379 NA MeJP NA NA +MJ003715 1-Phenyl-2,3-butanediol C10H14O2 166.099379 NA MeJP NA NA +MJ003716 10-Hydroxy-3-thujen-2-one C10H14O2 166.099379 NA MeJP NA NA +MJ003717 2(10)-Pinene-3,6-diol, 3-Ketone C10H14O2 166.099379 NA MeJP NA NA +MJ003718 2(10)-Pinene-3,6-diol, 6-Ketone C10H14O2 166.099379 NA MeJP NA NA +MJ003719 2,2,9-Trimethyl-1,6-dioxaspiro[4.4]nona-3,8-diene C10H14O2 166.099379 NA MeJP NA NA +MJ003720 2,4,6-Decatrienoic acid C10H14O2 166.099379 NA MeJP NA NA +MJ003721 2,4,7-Decatrienoic acid C10H14O2 166.099379 NA MeJP NA NA +MJ003722 2,5,6,6-Tetramethyl-2-cyclohexene-1,4-dione C10H14O2 166.099379 NA MeJP NA NA +MJ003723 2,6,8-Decatrienoic acid C10H14O2 166.099379 NA MeJP NA NA +MJ003724 2-Hydroxy-p-mentha-1,4(8)-dien-3-one C10H14O2 166.099379 NA MeJP NA NA +MJ003725 2-Hydroxy-p-mentha-1,8-dien-6-one C10H14O2 166.099379 NA MeJP NA NA +MJ003726 2-Isopropyl-5-methyl-1,4-benzenediol C10H14O2 166.099379 NA MeJP NA NA +MJ003727 2-Pinen-10-ol, 10-Carboxylic acid C10H14O2 166.099379 NA MeJP NA NA +MJ003728 3,5,7-Decatrienoic acid C10H14O2 166.099379 NA MeJP NA NA +MJ003729 3-(4-Hydroxyphenyl)-1-propanol; 4'-Me ether C10H14O2 166.099379 NA MeJP NA NA +MJ003730 3-Caren-10-oic acid C10H14O2 166.099379 NA MeJP NA NA +MJ003731 3-Hydroxy-p-mentha-1,8-dien-7-al C10H14O2 166.099379 NA MeJP NA NA +MJ003732 3-Methyl-5-(2-methylpropyl)-2-furancarboxaldehyde C10H14O2 166.099379 NA MeJP NA NA +MJ003733 4,4-Dimethyl-1,6-cycloheptadiene-1-carboxylic acid C10H14O2 166.099379 NA MeJP NA NA +MJ003734 4,4-Dimethyl-2,5-cycloheptadiene-1-carboxylic acid C10H14O2 166.099379 NA MeJP NA NA +MJ003735 4,4-Dimethyl-2,6-cycloheptadiene-1-carboxylic acid C10H14O2 166.099379 NA MeJP NA NA +MJ003736 4,5-Dihydro-3-methyl-5-(3-methyl-1,3-butadienyl)-2(3H)-furanone C10H14O2 166.099379 NA MeJP NA NA +MJ003737 4-(4-Hydroxyphenyl)-2-butanol C10H14O2 166.099379 NA MeJP NA NA +MJ003738 4-Caren-10-oic acid C10H14O2 166.099379 NA MeJP NA NA +MJ003739 4-Ethyl-1,2-benzenediol; Di-Me ether C10H14O2 166.099379 NA MeJP NA NA +MJ003740 4-Isopropyl-1,2-benzenediol; 1-Me ether C10H14O2 166.099379 NA MeJP NA NA +MJ003741 5,5-Dimethyl-1,3-cycloheptadiene-1-carboxylic acid C10H14O2 166.099379 NA MeJP NA NA +MJ003742 5,6-Dihydro-6-(2-pentenyl)-2H-pyran-2-one C10H14O2 166.099379 NA MeJP NA NA +MJ003743 5-(1,1-Dimethyl-2-propenyl)-3-methyl-2(4H)-furanone C10H14O2 166.099379 NA MeJP NA NA +MJ003744 5-(1-Butenyl)-6-methyl-2H-pyran-2-one, 1',2'-Dihydro C10H14O2 166.099379 NA MeJP NA NA +MJ003745 5-Ethylidene-5,6-dihydro-3,6,6-trimethyl-2-pyranone C10H14O2 166.099379 NA MeJP NA NA +MJ003746 5-Hydroxy-3-caren-2-one C10H14O2 166.099379 NA MeJP NA NA +MJ003747 5-Hydroxy-4,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde C10H14O2 166.099379 NA MeJP NA NA +MJ003748 5-Hydroxy-p-mentha-6,8-dien-2-one C10H14O2 166.099379 NA MeJP NA NA +MJ003749 5-Hydroxyadamantanone C10H14O2 166.099379 NA MeJP NA NA +MJ003750 5-Isopropyl-2-methyl-1,3-benzenediol C10H14O2 166.099379 NA MeJP NA NA +MJ003751 5-Pentyl-2-furancarboxaldehyde C10H14O2 166.099379 NA MeJP NA NA +MJ003752 6-Pentyl-2H-pyran-2-one C10H14O2 166.099379 NA MeJP NA NA +MJ003753 8,8-Dimethyl-2-methylene-6-oxabicyclo[3.2.1]octan-7-one C10H14O2 166.099379 NA MeJP NA NA +MJ003754 8-Hydroxy-2,4,6-decatrienal C10H14O2 166.099379 NA MeJP NA NA +MJ003755 ?-Acaridial C10H14O2 166.099379 NA MeJP NA NA +MJ003756 Actinidialactone C10H14O2 166.099379 NA MeJP NA NA +MJ003757 Cinerolone C10H14O2 166.099379 NA MeJP NA NA +MJ003758 Dehydroiridodial C10H14O2 166.099379 NA MeJP NA NA +MJ003759 Dihydro-3-(4-methyl-3-pentenylidene)-2(3H)-furanone C10H14O2 166.099379 NA MeJP NA NA +MJ003760 Dihydronepetalactone; 4,11-Didehydro C10H14O2 166.099379 NA MeJP NA NA +MJ003761 Dolichodial C10H14O2 166.099379 NA MeJP NA NA +MJ003762 Elsholtzione C10H14O2 166.099379 NA MeJP NA NA +MJ003763 Elymniafuran C10H14O2 166.099379 NA MeJP NA NA +MJ003764 Ferulol C10H14O2 166.099379 NA MeJP NA NA +MJ003765 Filifolide A C10H14O2 166.099379 NA MeJP NA NA +MJ003766 Filifolide B C10H14O2 166.099379 NA MeJP NA NA +MJ003767 Lepalone; 3-Alcohol C10H14O2 166.099379 NA MeJP NA NA +MJ003768 Lyratol, 1-Carboxylic acid C10H14O2 166.099379 NA MeJP NA NA +MJ003769 Mintlactone C10H14O2 166.099379 NA MeJP NA NA +MJ003770 Neonepetalactone C10H14O2 166.099379 NA MeJP NA NA +MJ003771 Nepetalactone C10H14O2 166.099379 NA MeJP NA NA +MJ003772 Plagiodial C10H14O2 166.099379 NA MeJP NA NA +MJ003773 Santolinolides C10H14O2 166.099379 NA MeJP NA NA +MJ003774 Teresantalol; 8-Carboxylic acid C10H14O2 166.099379 NA MeJP NA NA +MJ003775 Teucrium lactone C C10H14O2 166.099379 NA MeJP NA NA +MJ003776 Tsaokoin C10H14O2 166.099379 NA MeJP NA NA +MJ003777 o-Mentha-1(7),4,8-triene-3,6-diol C10H14O2 166.099379 NA MeJP NA NA +MJ003778 p-Menth-1-en-9,3-olide C10H14O2 166.099379 NA MeJP NA NA +MJ003779 p-Mentha-1,3,5,8(10)-tetraene-3,9-diol; 8,10-Dihydro C10H14O2 166.099379 NA MeJP NA NA +MJ003780 p-Mentha-1,3,5-triene-2,8-diol C10H14O2 166.099379 NA MeJP NA NA +MJ003781 p-Mentha-1,8-dien-7-al, 7-Carboxylic acid C10H14O2 166.099379 NA MeJP NA NA +MJ003782 ?-Acaridial C10H14O2 166.099379 NA MeJP NA NA +HMDB04586 Perillic acid C10H14O2 166.09938 http://www.hmdb.ca/metabolites/HMDB04586 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04586 Perillic acid C10H14O2 166.09938 http://www.hmdb.ca/metabolites/HMDB04586 HMDB NA NA +MetaCyc01286 2,5-diketocamphane [2,5-dioxocamphane;] C10H14O2 166.09938 NA metacyc NA NA +MetaCyc01287 4-oxahomoadamantan-5-one [4-oxatricyclo[4.3.1.13,8]undecan-5-one;] C10H14O2 166.09938 NA metacyc NA NA +MetaCyc01288 5-hydroxyadamantan-2-one [] C10H14O2 166.09938 NA metacyc NA NA +MetaCyc01289 (+)-bornane-2,5-dione [bornanedione;] C10H14O2 166.09938 NA metacyc NA NA +MetaCyc01290 1-(3,4-dimethylphenyl)ethane-1,2-diol [] C10H14O2 166.09938 NA metacyc NA NA +HMDB04586 Perillic acid C10H14O2 166.09938 http://www.hmdb.ca/metabolites/HMDB04586 PFEM_hmdb_metabocards_blood NA blood +HMDB04586 Perillic acid C10H14O2 166.09938 HMDB04586 PFEM_hmdb_metabocards_official NA NA +HMDB04586 Perillic acid C10H14O2 166.09938 NA HMDB2010 NA NA +C03037 (+)-Bornane-2,5-dione C10H14O2 166.0994 NA KEGG NA NA +C09777 Dolichodial C10H14O2 166.0994 NA KEGG NA NA +C09791 Nepetalactone cis-trans-form C10H14O2 166.0994 NA KEGG NA NA +C09792 Nepetalactone trans-cis-form C10H14O2 166.0994 NA KEGG NA NA +C09841 Carvone oxide C10H14O2 166.0994 NA KEGG NA NA +C09887 Piquerol A C10H14O2 166.0994 NA KEGG NA NA +C09896 Rotundifolone C10H14O2 166.0994 NA KEGG NA NA +C11924 Perillic acid C10H14O2 166.0994 NA KEGG NA NA +C11940 Myrtenic acid C10H14O2 166.0994 NA KEGG NA NA +C14351 4-Butoxyphenol C10H14O2 166.0994 NA KEGG NA NA +C14515 Camphorquinone C10H14O2 166.0994 NA KEGG NA NA +C17622 10-Oxogeranial C10H14O2 166.0994 NA KEGG NA NA +C17690 4-(4-Hydroxyphenyl)-2-butanol C10H14O2 166.0994 NA KEGG NA NA +C17824 (+/-)-Asarinol A C10H14O2 166.0994 NA KEGG NA NA +MJ003783 (1-Methyl-2-phenoxyethyl)hydrazine C9H14N2O 166.110613 NA MeJP NA NA +MJ003784 2-Methoxy-3-(1-methylpropyl)pyrazine C9H14N2O 166.110613 NA MeJP NA NA +MJ003785 2-Methoxy-3-(2-methylpropyl)pyrazine C9H14N2O 166.110613 NA MeJP NA NA +MJ003786 3-Isopropyl-2-methoxy-5-methylpyrazine C9H14N2O 166.110613 NA MeJP NA NA +MJ003787 3-Methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole C9H14N2O 166.110613 NA MeJP NA NA +C06976 Edrophonium C10H16NO 166.1232 NA KEGG NA NA +MJ003788 1,5,8-Undecatrien-3-ol C11H18O 166.135765 NA MeJP NA NA +MJ003789 2,5,6,6-Tetramethyl-2-cyclohexenecarboxaldehyde C11H18O 166.135765 NA MeJP NA NA +MJ003790 2-Ethyl-4,6,6-trimethyl-2-cyclohexen-1-one C11H18O 166.135765 NA MeJP NA NA +MJ003791 3-Methyl-2-pentyl-2-cyclopentenone C11H18O 166.135765 NA MeJP NA NA +MJ003792 Norecasantalol C11H18O 166.135765 NA MeJP NA NA +MJ003793 3-(2-Piperidinyl)pyridine, Tetrahydro C10H18N2 166.146998 NA MeJP NA NA +7838 ACE inhibitor EW 166.5605 MH2+ Inhouse_peptide NA peptide +3393 ACE inhibitor FAP 166.5785 MH2+ Inhouse_peptide NA peptide +3573 NA AFP 166.5785 MH2+ Inhouse_peptide NA peptide +7644 ACE inhibitor from porcine myosin (306-308) ITT 166.589 MH2+ Inhouse_peptide NA peptide +14 Myosin ITT 166.5895 MH2+ Inhouse_peptide NA peptide +C14437 2-Mercaptobenzothiazole C7H5NS2 166.9863 NA KEGG NA NA +MJ003794 2(3H)-Benzothiazolethione C7H5NS2 166.98634 NA MeJP NA NA +JH020 Pyroglutamic acid (DL) [M+K]+ NA 167.0022 2.45 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH020 Pyroglutamic acid (DL) [M+K]+ NA 167.0022 2.45 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH020 Pyroglutamic acid (DL) [M+K]+ NA 167.0022 2.45 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH020 Pyroglutamic acid (DL) [M+K]+ NA 167.0022 2.45 Inhousejuil11 NA NA +MJ003795 2,6-Benzothiazolediol C7H5NO2S 167.004099 NA MeJP NA NA +MJ003796 Neamphine C6H5N3OS 167.015332 NA MeJP NA NA +MetaCyc01291 urate [8-hydroxyxanthine;2,6,8-trihydroxypurine;trioxopurine;2,6,8-trioxypurine;purine-2,6,8-(1H,3H,9H)-trione;uric acid;] C5H3N4O3 167.020515 69-93-2 metacyc NA NA +HMDB00232 Quinolinic acid C7H5NO4 167.021851 NA HMDB2010 NA NA +MJ003797 2,3-Pyridinedicarboxylic acid C7H5NO4 167.021857 NA MeJP NA NA +MJ003798 2,6-Pyridinedicarboxylic acid C7H5NO4 167.021857 NA MeJP NA NA +MJ003799 Pyridine-2,3-dicarboxylate C7H5NO4 167.021857 NA MeJP NA NA +MetaCyc01292 quinolinate [2,3-pyridinedicarboxylic acid;2,3-pyridinedicarboxylate;quinolinic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,3-dicarboxylate;] C7H5N1O4 167.021858 89-00-9 metacyc NA NA +MetaCyc01293 2,4-pyridinedicarboxylate [] C7H5N1O4 167.021858 NA metacyc NA NA +MetaCyc01294 4-nitrobenzoate [4NBZate;] C7H5N1O4 167.021858 NA metacyc NA NA +MetaCyc01295 dipicolinate [dipicolinic acid;] C7H5N1O4 167.021858 NA metacyc NA NA +HMDB00232 Quinolinic acid C7H5NO4 167.02187 http://www.hmdb.ca/metabolites/HMDB00232 PFEM_hmdb_metabocards_urine NA urine +HMDB00232 Quinolinic acid C7H5NO4 167.02187 http://www.hmdb.ca/metabolites/HMDB00232 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00232 Quinolinic acid C7H5NO4 167.02187 http://www.hmdb.ca/metabolites/HMDB00232 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00232 Quinolinic acid C7H5NO4 167.02187 http://www.hmdb.ca/metabolites/HMDB00232 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00232 Quinolinic acid C7H5NO4 167.02187 http://www.hmdb.ca/metabolites/HMDB00232 HMDB NA NA +HMDB00232 Quinolinic acid C7H5NO4 167.02187 http://www.hmdb.ca/metabolites/HMDB00232 PFEM_hmdb_metabocards_blood NA blood +HMDB00232 Quinolinic acid C7H5NO4 167.02187 HMDB00232 PFEM_hmdb_metabocards_official NA NA +C03722 Pyridine-2,3-dicarboxylate C7H5NO4 167.0219 NA KEGG NA NA +C03723 Ribonucleoside diphosphate C5H11O10P2R 167.0219 NA KEGG NA NA +C16234 o-Nitrobenzoate C7H5NO4 167.0219 NA KEGG NA NA +HMDB06462 Homocysteinesulfinic acid C4H9NO4S 167.02522 http://www.hmdb.ca/metabolites/HMDB06462 HMDB NA NA +HMDB06462 Homocysteinesulfinic acid C4H9NO4S 167.02522 HMDB06462 PFEM_hmdb_metabocards_official NA NA +HMDB06462 Homocysteinesulfinic acid C4H9NO4S 167.025223 NA HMDB2010 NA NA +MJ003800 Thioguanine C5H5N5S 167.026565 NA MeJP NA NA +MetaCyc01296 2-thioadenine [2-mercaptoadenine;] C5H5N5S1 167.026566 NA metacyc NA NA +MetaCyc01297 thioguanine [6-thioguanine;6-mercaptoguanine;] C5H5N5S1 167.026566 NA metacyc NA NA +C07648 Thioguanine C5H5N5S 167.0266 NA KEGG NA NA +C17962 Demethylphosphinothricin C4H10NO4P 167.0347 NA KEGG NA NA +MJ003801 2-Amino-4-(hydroxyphosphinyl)butanoic acid C4H10NO4P 167.034744 NA MeJP NA NA +HMDB03584 Taurocyamine C3H9N3O3S 167.03645 http://www.hmdb.ca/metabolites/HMDB03584 HMDB NA NA +HMDB03584 Taurocyamine C3H9N3O3S 167.03645 HMDB03584 PFEM_hmdb_metabocards_official NA NA +MJ003802 2-Guanidinoethanesulfonic acid C3H9N3O3S 167.036461 NA MeJP NA NA +MJ003803 Taurocyamine C3H9N3O3S 167.036461 NA MeJP NA NA +MetaCyc01298 taurocyamine [] C3H9N3O3S1 167.036462 543-18-0 metacyc NA NA +MetaCyc01299 hypotaurocyamine [[amino-(2-sulfoethylamino)methylene]ammonium;] C3H9N3O3S1 167.036462 NA metacyc NA NA +HMDB03584 Taurocyamine C3H9N3O3S 167.036469 NA HMDB2010 NA NA +C01959 Taurocyamine C3H9N3O3S 167.0365 NA KEGG NA NA +C01960 Tetrapeptide C8H10N4O5R4 167.0365 NA KEGG NA NA +MetaCyc01300 phenylacetothiohydroximate [phenylacetothiohydroxamic acid;] C8H9N1O1S1 167.040485 NA metacyc NA NA +C03719 Phenylacetothiohydroximate C8H9NOS 167.0405 NA KEGG NA NA +C03721 Protein tyrosine-O-sulfate C10H10N2O6SR2 167.0405 NA KEGG NA NA +EUR333 8-hydroxydeoxyguanosine F2 F2 167.041075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR333 8-hydroxydeoxyguanosine F2 NA 167.041075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR333 8-hydroxydeoxyguanosine F2 F2 167.041075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR333 8-hydroxydeoxyguanosine F2 NA 167.041075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR333 8-hydroxydeoxyguanosine F2 F2 167.041075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR333 8-hydroxydeoxyguanosine F2 NA 167.041075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR333 8-hydroxydeoxyguanosine F2 F2 167.041075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR333 8-hydroxydeoxyguanosine F2 F2 167.041075 standards wishlist analysés sur QTOF HMDB NA NA +EUR333 8-hydroxydeoxyguanosine F2 F2 167.041075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR333 8-hydroxydeoxyguanosine F2 NA 167.041075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR333 8-hydroxydeoxyguanosine F2 F2 167.041075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR333 8-hydroxydeoxyguanosine F2 F2 167.041075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR330 8-hydroxyguanosine F2 F2 167.041675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR330 8-hydroxyguanosine F2 NA 167.041675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR330 8-hydroxyguanosine F2 F2 167.041675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR330 8-hydroxyguanosine F2 NA 167.041675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR330 8-hydroxyguanosine F2 F2 167.041675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR330 8-hydroxyguanosine F2 NA 167.041675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR330 8-hydroxyguanosine F2 F2 167.041675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR330 8-hydroxyguanosine F2 F2 167.041675 standards wishlist analysés sur QTOF HMDB NA NA +EUR330 8-hydroxyguanosine F2 F2 167.041675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR330 8-hydroxyguanosine F2 NA 167.041675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR330 8-hydroxyguanosine F2 F2 167.041675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR330 8-hydroxyguanosine F2 F2 167.041675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ003804 4-Amino-3,6-dihydroxy-1H-pyrazolo[3,4-d]pyrimidine C5H5N5O2 167.044324 NA MeJP NA NA +MJ003805 6-Amino-2,8-dihydroxypurine C5H5N5O2 167.044324 NA MeJP NA NA +MJ003806 Guanine; 7-Oxide C5H5N5O2 167.044324 NA MeJP NA NA +HMDB00401 2,8-Dihydroxyadenine C5H5N5O2 167.044327 NA HMDB2010 NA NA +HMDB02032 8-Hydroxyguanine C5H5N5O2 167.044327 NA HMDB2010 NA NA +HMDB02032 8-Hydroxyguanine C5H5N5O2 167.04433 http://www.hmdb.ca/metabolites/HMDB02032 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00401 2,8-Dihydroxyadenine C5H5N5O2 167.04433 http://www.hmdb.ca/metabolites/HMDB00401 HMDB NA NA +HMDB02032 8-Hydroxyguanine C5H5N5O2 167.04433 http://www.hmdb.ca/metabolites/HMDB02032 HMDB NA NA +HMDB02032 8-Hydroxyguanine C5H5N5O2 167.04433 http://www.hmdb.ca/metabolites/HMDB02032 PFEM_hmdb_metabocards_blood NA blood +HMDB00401 2,8-Dihydroxyadenine C5H5N5O2 167.04433 HMDB00401 PFEM_hmdb_metabocards_official NA NA +HMDB02032 8-Hydroxyguanine C5H5N5O2 167.04433 HMDB02032 PFEM_hmdb_metabocards_official NA NA +CJneg0204 Creatine [(M+Cl)]- C4H9ClN3O2 167.046725 C18rt(min)=0.93 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0204 Creatine [(M+Cl)]- C4H9ClN3O2 167.046725 C18rt(min)=0.93 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ003807 Zapotidine C7H9N3S 167.051717 NA MeJP NA NA +CJpos0379 7-Methylxanthine [(M+H)]+ (13C) C513CH7N4O2 167.051875 C18rt(min)=4.01 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0380 1-Methylxanthine [(M+H)]+ (13C) C513CH7N4O2 167.051875 C18rt(min)=4.23 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0381 9-Methylxanthine [(M+H)]+ (13C) C513CH7N4O2 167.051875 C18rt(min)=4.3 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0379 7-Methylxanthine [(M+H)]+ (13C) C513CH7N4O2 167.051875 C18rt(min)=4.01 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0380 1-Methylxanthine [(M+H)]+ (13C) C513CH7N4O2 167.051875 C18rt(min)=4.23 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0381 9-Methylxanthine [(M+H)]+ (13C) C513CH7N4O2 167.051875 C18rt(min)=4.3 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJneg0205 1-Methylxanthine [(M-H)]- (13C) C513CH5N4O2 167.053025 C18rt(min)=4.23 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0206 9-Methylxanthine [(M-H)]- (13C) C513CH5N4O2 167.053025 C18rt(min)=4.3 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0205 1-Methylxanthine [(M-H)]- (13C) C513CH5N4O2 167.053025 C18rt(min)=4.23 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0206 9-Methylxanthine [(M-H)]- (13C) C513CH5N4O2 167.053025 C18rt(min)=4.3 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +EUR346 Pyridoxal F1 C8H9NO3 167.056275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR346 Pyridoxal F1 NA 167.056275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR346 Pyridoxal F1 C8H9NO3 167.056275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR346 Pyridoxal F1 NA 167.056275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR346 Pyridoxal F1 C8H9NO3 167.056275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR346 Pyridoxal F1 NA 167.056275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR346 Pyridoxal F1 C8H9NO3 167.056275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR346 Pyridoxal F1 C8H9NO3 167.056275 standards wishlist analysés sur QTOF HMDB NA NA +EUR346 Pyridoxal F1 C8H9NO3 167.056275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR346 Pyridoxal F1 NA 167.056275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR346 Pyridoxal F1 C8H9NO3 167.056275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR346 Pyridoxal F1 C8H9NO3 167.056275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0382 Pyridoxal isomer [(M+H)]+ C8H10NO3 167.057675 C18rt(min)=1.07 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0382 Pyridoxal isomer [(M+H)]+ C8H10NO3 167.057675 C18rt(min)=1.07 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +JH158 N-acetyl-D-glucosamine [M+H-3H2O]+ NA 167.05771 1.39 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH158 N-acetyl-D-glucosamine [M+H-3H2O]+ NA 167.05771 1.39 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH158 N-acetyl-D-glucosamine [M+H-3H2O]+ NA 167.05771 1.39 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH158 N-acetyl-D-glucosamine [M+H-3H2O]+ NA 167.05771 1.39 Inhousejuil11 NA NA +EUR070 Pyridoxal C8H9NO3 167.0582 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR070 Pyridoxal C8H9NO3 167.0582 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR070 Pyridoxal C8H9NO3 167.0582 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR070 Pyridoxal C8H9NO3 167.0582 Wishlist Inhousejuil11 NA NA +C00250 Pyridoxal C8H9NO3 167.0582 NA KEGG NA NA +C03493 D-4-Hydroxyphenylglycine C8H9NO3 167.0582 NA KEGG NA NA +C03986 3-Hydroxy-4-methylanthranilate C8H9NO3 167.0582 NA KEGG NA NA +C05831 3-Methoxyanthranilate C8H9NO3 167.0582 NA KEGG NA NA +C06051 Isopyridoxal C8H9NO3 167.0582 NA KEGG NA NA +C12323 L-4-Hydroxyphenylglycine C8H9NO3 167.0582 NA KEGG NA NA +C14170 p-Aminosalicylic acid methyl ester C8H9NO3 167.0582 NA KEGG NA NA +C14171 Orthoform C8H9NO3 167.0582 NA KEGG NA NA +HMDB01545 Pyridoxal C8H9NO3 167.05824 http://www.hmdb.ca/metabolites/HMDB01545 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01545 Pyridoxal C8H9NO3 167.05824 http://www.hmdb.ca/metabolites/HMDB01545 HMDB NA NA +HMDB04290 Isopyridoxal C8H9NO3 167.05824 http://www.hmdb.ca/metabolites/HMDB04290 HMDB NA NA +HMDB01545 Pyridoxal C8H9NO3 167.05824 http://www.hmdb.ca/metabolites/HMDB01545 PFEM_hmdb_metabocards_blood NA blood +HMDB01545 Pyridoxal C8H9NO3 167.05824 HMDB01545 PFEM_hmdb_metabocards_official NA NA +HMDB04290 Isopyridoxal C8H9NO3 167.05824 HMDB04290 PFEM_hmdb_metabocards_official NA NA +HMDB01545 Pyridoxal C8H9NO3 167.058243 NA HMDB2010 NA NA +HMDB04290 Isopyridoxal C8H9NO3 167.058243 NA HMDB2010 NA NA +MJ003808 2-Amino-1,4-benzenediol; N-Ac C8H9NO3 167.058243 NA MeJP NA NA +MJ003809 2-Amino-2-(4-hydroxyphenyl)acetic acid C8H9NO3 167.058243 NA MeJP NA NA +MJ003810 2-Amino-3',4'-dihydroxyacetophenone C8H9NO3 167.058243 NA MeJP NA NA +MJ003811 2-Hydroxy-5-isocyano-?-methyl-6-oxabicyclo[3.1.0]hex-3-ene-2-methanol C8H9NO3 167.058243 NA MeJP NA NA +MJ003812 3-Amino-4-hydroxybenzoic acid; Me ester C8H9NO3 167.058243 NA MeJP NA NA +MJ003813 3-Pyridinecarboxylic acid; N-(2-Hydroxyethyl), betaine C8H9NO3 167.058243 NA MeJP NA NA +MJ003814 4,5,6,7-Tetrahydro-6,7-dihydroxy-1H-indol-4-one C8H9NO3 167.058243 NA MeJP NA NA +MJ003815 4-(2-Nitroethyl)phenol C8H9NO3 167.058243 NA MeJP NA NA +MJ003816 4-Amino-2-hydroxybenzoic acid; Me ester C8H9NO3 167.058243 NA MeJP NA NA +MJ003817 4-Amino-3-hydroxybenzoic acid; Me ester C8H9NO3 167.058243 NA MeJP NA NA +MJ003818 6-Hydroxy-3-pyridinecarboxylic acid; NH-form, N-Me, Me ester C8H9NO3 167.058243 NA MeJP NA NA +MJ003819 Huazhongilexol C8H9NO3 167.058243 NA MeJP NA NA +MJ003820 Isonitrin B C8H9NO3 167.058243 NA MeJP NA NA +MJ003821 Melanoxazal C8H9NO3 167.058243 NA MeJP NA NA +MJ003822 Melanoxidin; 3'-Ketone C8H9NO3 167.058243 NA MeJP NA NA +MJ003823 Pyridoxal C8H9NO3 167.058243 NA MeJP NA NA +MetaCyc01301 pyridoxal [] C8H9N1O3 167.058243 66-72-8 metacyc NA NA +MetaCyc01302 D-4-hydroxyphenylglycine [] C8H9N1O3 167.058243 22818-40-2 metacyc NA NA +MetaCyc01303 3-hydroxy-4-methylanthranilate [] C8H9N1O3 167.058243 NA metacyc NA NA +MetaCyc01304 isopyridoxal [] C8H9N1O3 167.058243 NA metacyc NA NA +EUR070 Pyridoxal C8H9NO3 167.058244 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR070 Pyridoxal C8H9NO3 167.058244 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR070 Pyridoxal C8H9NO3 167.058244 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR070 Pyridoxal C8H9NO3 167.058244 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR070 Pyridoxal C8H9NO3 167.058244 Wishlist HMDB NA NA +EUR070 Pyridoxal C8H9NO3 167.058244 Wishlist Inhouse_PFEM NA NA +EUR070 Pyridoxal C8H9NO3 167.058244 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR070 Pyridoxal C8H9NO3 167.058244 Wishlist PFEM_hmdb_metabocards_official NA NA +CJneg0207 Phenyllactic acid [(M-H)]- (13C) C813CH9O3 167.066925 C18rt(min)=6.62 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0207 Phenyllactic acid [(M-H)]- (13C) C813CH9O3 167.066925 C18rt(min)=6.62 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +7643 ACE inhibitor from porcine myosin (307-309) TTN 167.06845 MH2+ Inhouse_peptide NA peptide +13 Myosin TTN 167.069 MH2+ Inhouse_peptide NA peptide +MJ003824 Spinacine C7H9N3O2 167.069476 NA MeJP NA NA +C16396 2,4-Diamino-6-nitrotoluene C7H9N3O2 167.0695 NA KEGG NA NA +C16397 2,6-Diamino-4-nitrotoluene C7H9N3O2 167.0695 NA KEGG NA NA +MJ003825 (2-Trimethylammonioethyl)phosphonic acid betaine C5H14NO3P 167.071129 NA MeJP NA NA +MJ003826 Carbazole C12H9N 167.073499 NA MeJP NA NA +C08060 Carbazole C12H9N 167.0735 NA KEGG NA NA +7632 ACE inhibitor from b-Lg (fr, 7-9) MKG 167.0777 MH2+ Inhouse_peptide NA peptide +C14148 N-Cyclopropylammeline C6H9N5O 167.0807 NA KEGG NA NA +MetaCyc01305 N-cyclopropylammeline [2-hydroxy-4-amino-6-(cyclopropylamino)-1,3,5-triazine;] C6H9N5O1 167.08071 NA metacyc NA NA +CJpos0383 Phenylalanine [M+H]+ (18O) C9H12O[18]ON 167.082675 C18rt(min)=4.46 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0383 Phenylalanine [M+H]+ (18O) C9H12O[18]ON 167.082675 C18rt(min)=4.46 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +C01869 (-)-Sympatol C9H13NO2 167.0946 NA KEGG NA NA +C04548 Synephrine C9H13NO2 167.0946 NA KEGG NA NA +C04549 1-Phosphatidyl-1D-myo-inositol 3-phosphate C11H18O16P2R2 167.0946 NA KEGG NA NA +C05587 3-Methoxytyramine C9H13NO2 167.0946 NA KEGG NA NA +C07146 Metaraminol C9H13NO2 167.0946 NA KEGG NA NA +C07441 Phenylephrine C9H13NO2 167.0946 NA KEGG NA NA +C07442 Transferred to D00511 C9H13NO2 167.0946 NA KEGG NA NA +C07453 Epinine C9H13NO2 167.0946 NA KEGG NA NA +C07832 Ethinamate C9H13NO2 167.0946 NA KEGG NA NA +C08273 2,5-Dihydrophenylalanine C9H13NO2 167.0946 NA KEGG NA NA +MJ003827 2-Amino-1-(3-hydroxyphenyl)-1-propanol C9H13NO2 167.094628 NA MeJP NA NA +MJ003828 2-Amino-1-(3-hydroxyphenyl)ethanol, N-Me C9H13NO2 167.094628 NA MeJP NA NA +MJ003829 3,3-Diethyl-2,4(1H,3H)-pyridinedione C9H13NO2 167.094628 NA MeJP NA NA +MJ003830 3-(Dimethylamino)-5-hydroxy-5-vinyl-2-cyclopenten-1-one C9H13NO2 167.094628 NA MeJP NA NA +MJ003831 4-Hydroxy-3-methoxyphenethylamine C9H13NO2 167.094628 NA MeJP NA NA +MJ003832 8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid C9H13NO2 167.094628 NA MeJP NA NA +MJ003833 Epinine C9H13NO2 167.094628 NA MeJP NA NA +MJ003834 Ethinamate C9H13NO2 167.094628 NA MeJP NA NA +MJ003835 Octopamine, O4-Me C9H13NO2 167.094628 NA MeJP NA NA +MJ003836 Synephrine C9H13NO2 167.094628 NA MeJP NA NA +MJ003837 ?-Amino-1,4-cyclohexadiene-1-propanoic acid C9H13NO2 167.094628 NA MeJP NA NA +MJ003838 3-Methoxytyramine C9H13NO2 167.094628 NA MeJP NA NA +MetaCyc01306 4-methoxytyramine [3-hydroxy-4-methoxyphenethylamine;4-O-methyldopamine;] C9H13N1O2 167.094629 NA metacyc NA NA +MetaCyc01307 3-methoxytyramine [methoxytyramine;] C9H13N1O2 167.094629 NA metacyc NA NA +MetaCyc01308 1-(4-hydroxyphenyl)-2-(methylamino)ethanol [] C9H13N1O2 167.094629 NA metacyc NA NA +HMDB00022 3-Methoxytyramine C9H13NO2 167.094635 NA HMDB2010 NA NA +HMDB02182 Phenylephrine C9H13NO2 167.094635 NA HMDB2010 NA NA +HMDB04826 p-Synephrine C9H13NO2 167.094635 NA HMDB2010 NA NA +HMDB12162 4-Methoxytyramine C9H13NO2 167.094635 NA HMDB2010 NA NA +HMDB00022 3-Methoxytyramine C9H13NO2 167.09464 http://www.hmdb.ca/metabolites/HMDB00022 PFEM_hmdb_metabocards_urine NA urine +HMDB04826 p-Synephrine C9H13NO2 167.09464 http://www.hmdb.ca/metabolites/HMDB04826 PFEM_hmdb_metabocards_urine NA urine +HMDB00022 3-Methoxytyramine C9H13NO2 167.09464 http://www.hmdb.ca/metabolites/HMDB00022 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02182 Phenylephrine C9H13NO2 167.09464 http://www.hmdb.ca/metabolites/HMDB02182 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04826 p-Synephrine C9H13NO2 167.09464 http://www.hmdb.ca/metabolites/HMDB04826 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00022 3-Methoxytyramine C9H13NO2 167.09464 http://www.hmdb.ca/metabolites/HMDB00022 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04826 p-Synephrine C9H13NO2 167.09464 http://www.hmdb.ca/metabolites/HMDB04826 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00022 3-Methoxytyramine C9H13NO2 167.09464 http://www.hmdb.ca/metabolites/HMDB00022 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04826 p-Synephrine C9H13NO2 167.09464 http://www.hmdb.ca/metabolites/HMDB04826 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00022 3-Methoxytyramine C9H13NO2 167.09464 http://www.hmdb.ca/metabolites/HMDB00022 HMDB NA NA +HMDB02182 Phenylephrine C9H13NO2 167.09464 http://www.hmdb.ca/metabolites/HMDB02182 HMDB NA NA +HMDB04826 p-Synephrine C9H13NO2 167.09464 http://www.hmdb.ca/metabolites/HMDB04826 HMDB NA NA +HMDB00022 3-Methoxytyramine C9H13NO2 167.09464 http://www.hmdb.ca/metabolites/HMDB00022 PFEM_hmdb_metabocards_blood NA blood +HMDB02182 Phenylephrine C9H13NO2 167.09464 http://www.hmdb.ca/metabolites/HMDB02182 PFEM_hmdb_metabocards_blood NA blood +HMDB04826 p-Synephrine C9H13NO2 167.09464 http://www.hmdb.ca/metabolites/HMDB04826 PFEM_hmdb_metabocards_blood NA blood +HMDB00022 3-Methoxytyramine C9H13NO2 167.09464 HMDB00022 PFEM_hmdb_metabocards_official NA NA +HMDB02182 Phenylephrine C9H13NO2 167.09464 HMDB02182 PFEM_hmdb_metabocards_official NA NA +HMDB04826 p-Synephrine C9H13NO2 167.09464 HMDB04826 PFEM_hmdb_metabocards_official NA NA +MJ003839 Imifuramine C8H13N3O 167.105862 NA MeJP NA NA +MJ003840 Solsodomine B C8H13N3O 167.105862 NA MeJP NA NA +C10916 2-Dimethylamino-5,6-dimethylpyrimidin-4-ol C8H13N3O 167.1059 NA KEGG NA NA +MJ003841 2,4-Decadienoic acid, Amide C10H17NO 167.131014 NA MeJP NA NA +MJ003842 4-Hydroxy-2-(1,3-pentadienyl)piperidine C10H17NO 167.131014 NA MeJP NA NA +MJ003843 Incarvilline; 8,9-Diepimer, 7-ketone, N-de-Me C10H17NO 167.131014 NA MeJP NA NA +MJ003844 Octahydro-4-methyl-2H-quinolizin-2-one C10H17NO 167.131014 NA MeJP NA NA +MJ003845 2,5-Dialkylpyrrolidines; 2-Ethyl-5-pentylpyrrolidine, 1,2-Didehydro C11H21N 167.167399 NA MeJP NA NA +MJ003846 2,5-Dialkylpyrrolidines; 2-Ethyl-5-pentylpyrrolidine, 1,5-Didehydro C11H21N 167.167399 NA MeJP NA NA +MJ003847 5-Propylindolizidine C11H21N 167.167399 NA MeJP NA NA +MJ003848 Dendrobates Alkaloid 167A C11H21N 167.167399 NA MeJP NA NA +MJ003849 Mecamylamine C11H21N 167.167399 NA MeJP NA NA +MJ003850 N-Methyl-N-2-propynyl-2-heptanamine C11H21N 167.167399 NA MeJP NA NA +MJ003851 Skytanthine C11H21N 167.167399 NA MeJP NA NA +MJ003852 Skytanthus acutus Alkaloid B C11H21N 167.167399 NA MeJP NA NA +C07511 Mecamylamine C11H21N 167.1674 NA KEGG NA NA +C09987 beta-Skytanthine C11H21N 167.1674 NA KEGG NA NA +2737 regulating phosphoinositole mechanism peptide GFL 167.5865 MH2+ Inhouse_peptide NA peptide +2740 regulating phosphoinositole mechanism peptide GLF 167.5865 MH2+ Inhouse_peptide NA peptide +3061 fragment of human b-casein fr: 60-62 GFL 167.5865 MH2+ Inhouse_peptide NA peptide +3472 alpha-lactorphin GLF 167.5865 MH2+ Inhouse_peptide NA peptide +7639 ACE inhibitor from tuna muscles IFG 167.5865 MH2+ Inhouse_peptide NA peptide +MJ003853 Caesium chloride (CsCl) ClCs 167.874299 NA MeJP NA NA +MJ003854 Methyl (1-propenylthio) selenide C4H8SSe 167.951192 NA MeJP NA NA +MJ003855 Methyl (2-propenylthio) selenide C4H8SSe 167.951192 NA MeJP NA NA +HMDB03288 Selenocysteine C3H6NO2Se 167.956375 NA HMDB2010 NA NA +HMDB04122 Selenocystine C6H12N2O4Se2 167.956375 MH2+ Inhouse_peptide NA peptide +HMDB03288 Selenocysteine C3H6NO2Se 167.95638 http://www.hmdb.ca/metabolites/HMDB03288 HMDB NA NA +HMDB03288 Selenocysteine C3H6NO2Se 167.95638 HMDB03288 PFEM_hmdb_metabocards_official NA NA +HMDB04045 3-Sulfopyruvic acid C3H4O6S 167.97285 http://www.hmdb.ca/metabolites/HMDB04045 HMDB NA NA +HMDB04045 3-Sulfopyruvic acid C3H4O6S 167.97285 HMDB04045 PFEM_hmdb_metabocards_official NA NA +HMDB04045 3-Sulfopyruvic acid C3H4O6S 167.972855 NA HMDB2010 NA NA +MJ003856 3-Sulfopyruvate C3H4O6S 167.972858 NA MeJP NA NA +MetaCyc01309 sulfopyruvate [3-sulfopyruvate;] C3H4O6S1 167.972859 NA metacyc NA NA +C05528 3-Sulfopyruvate C3H4O6S 167.9729 NA KEGG NA NA +MJ003857 1-Chloro-1,1,3,3,3-pentafluoropropane C3H2ClF5 167.976518 NA MeJP NA NA +MJ003858 3-Phosphonopyruvate C3H5O6P 167.982374 NA MeJP NA NA +MJ003859 Phosphoenolpyruvate C3H5O6P 167.982374 NA MeJP NA NA +MJ003860 2-Oxo-3-phosphonopropanoic acid C3H5O6P 167.982374 NA MeJP NA NA +MetaCyc01310 phosphoenolpyruvate [P-enol-pyruvate;P-enol-pyr;PEP;] C3H5O6P1 167.982374 138-08-9 metacyc NA NA +MetaCyc01311 3-phosphonopyruvate [] C3H5O6P1 167.982374 NA metacyc NA NA +HMDB00263 Phosphoenolpyruvic acid C3H5O6P 167.982376 NA HMDB2010 NA NA +HMDB00263 Phosphoenolpyruvic acid C3H5O6P 167.98238 http://www.hmdb.ca/metabolites/HMDB00263 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00263 Phosphoenolpyruvic acid C3H5O6P 167.98238 http://www.hmdb.ca/metabolites/HMDB00263 HMDB NA NA +HMDB00263 Phosphoenolpyruvic acid C3H5O6P 167.98238 http://www.hmdb.ca/metabolites/HMDB00263 PFEM_hmdb_metabocards_blood NA blood +HMDB00263 Phosphoenolpyruvic acid C3H5O6P 167.98238 HMDB00263 PFEM_hmdb_metabocards_official NA NA +C00074 Phosphoenolpyruvate C3H5O6P 167.9824 NA KEGG NA NA +C02798 3-Phosphonopyruvate C3H5O6P 167.9824 NA KEGG NA NA +C16849 Hydroxypyruvaldehyde phosphate C3H5O6P 167.9824 NA KEGG NA NA +MJ003861 6-Hydroxy-1,3-benzoxathiol-2-one C7H4O3S 167.988114 NA MeJP NA NA +MJ003862 4-Hydroxy-3-dithiolanemethanol, 1R-Oxide C4H8O3S2 167.991485 NA MeJP NA NA +MJ003863 4-Hydroxy-3-dithiolanemethanol, 1S-Oxide C4H8O3S2 167.991485 NA MeJP NA NA +MJ003864 4-Hydroxy-3-dithiolanemethanol, 2R-Oxide C4H8O3S2 167.991485 NA MeJP NA NA +MJ003865 4-Hydroxy-3-dithiolanemethanol, 2S-Oxide C4H8O3S2 167.991485 NA MeJP NA NA +MJ003866 Desflurane C3H2F6O 168.000983 NA MeJP NA NA +C07519 Desflurane C3H2F6O 168.001 NA KEGG NA NA +C13841 Zoxazolamine C7H5ClN2O 168.009 NA KEGG NA NA +MJ003867 2-Amino-5-chlorobenzoxazole C7H5ClN2O 168.00904 NA MeJP NA NA +MJ003868 1-(Ethylthio)ethyl methyl disulfide C5H12S3 168.010112 NA MeJP NA NA +MJ003869 Ethyl (ethylthio)methyl disulfide C5H12S3 168.010112 NA MeJP NA NA +MJ003870 Ethyl 1-(methylthio)ethyl disulfide C5H12S3 168.010112 NA MeJP NA NA +MJ003871 Methyl 1-(methylthio)propyl disulfide C5H12S3 168.010112 NA MeJP NA NA +C14702 1,2-Dinitrobenzene C6H4N2O4 168.0171 NA KEGG NA NA +MJ003872 Butanoylphosphate C4H9O5P 168.018759 NA MeJP NA NA +MetaCyc01312 2-methylpropanoyl phosphate [2-Methylpropionyl phosphate;] C4H9O5P1 168.01876 NA metacyc NA NA +MetaCyc01313 butyryl phosphate [butyryl-P;butanoyl phosphate;phosphobutyrate;] C4H9O5P1 168.01876 NA metacyc NA NA +C02527 Butanoylphosphate C4H9O5P 168.0188 NA KEGG NA NA +C03754 2-Methylpropanoyl phosphate C4H9O5P 168.0188 NA KEGG NA NA +EUR277 Uric acid C5H4N4O3 168.027375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR277 Acide urique F1 NA 168.027375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR277 Uric acid C5H4N4O3 168.027375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR277 Acide urique F1 NA 168.027375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR277 Uric acid C5H4N4O3 168.027375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR277 Acide urique F1 NA 168.027375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR277 Uric acid C5H4N4O3 168.027375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR277 Uric acid C5H4N4O3 168.027375 standards wishlist analysés sur QTOF HMDB NA NA +EUR277 Uric acid C5H4N4O3 168.027375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR277 Acide urique F1 NA 168.027375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR277 Uric acid C5H4N4O3 168.027375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR277 Uric acid C5H4N4O3 168.027375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0384 Uric acid [(M+H)]+ C5H5N4O3 168.027775 C18rt(min)=1.37 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0385 Uric acid [(M+H)]+ C5H5N4O3 168.027775 C18rt(min)=1.07 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0384 Uric acid [(M+H)]+ C5H5N4O3 168.027775 C18rt(min)=1.37 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0385 Uric acid [(M+H)]+ C5H5N4O3 168.027775 C18rt(min)=1.07 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +JH066 Uric acid [M+H]+ C5H4N4O3 168.0278 2.38 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH066 Uric acid [M+H]+ C5H4N4O3 168.0278 2.38 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH066 Uric acid [M+H]+ C5H4N4O3 168.0278 2.38 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH066 Uric acid [M+H]+ C5H4N4O3 168.0278 2.38 Inhousejuil11 NA NA +EUR556 Uric acid NA 168.028175 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR556 uric acid [M+H]+ 168.028175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR556 Uric acid NA 168.028175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR556 uric acid [M+H]+ 168.028175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR556 Uric acid NA 168.028175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR556 uric acid [M+H]+ 168.028175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR556 Uric acid NA 168.028175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR556 Uric acid NA 168.028175 identifiés dans sérum NuGO HMDB NA NA +EUR556 Uric acid NA 168.028175 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR556 uric acid [M+H]+ 168.028175 identifies dans serum NuGO Inhousejuil11 NA NA +EUR556 Uric acid NA 168.028175 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR556 Uric acid NA 168.028175 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR067 Uric acid C5H4N4O3 168.0283 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR620 Uric acid [M+H]+ 168.0283 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR067 Uric acid C5H4N4O3 168.0283 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR620 Uric acid [M+H]+ 168.0283 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR067 Uric acid C5H4N4O3 168.0283 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR620 Uric acid [M+H]+ 168.0283 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR067 Uric acid C5H4N4O3 168.0283 Wishlist Inhousejuil11 NA NA +EUR620 Uric acid [M+H]+ 168.0283 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00366 Urate C5H4N4O3 168.0283 NA KEGG NA NA +C00367 Casein C5H4N4O3 168.0283 NA KEGG NA NA +C00369 Starch C5H4N4O3 168.0283 NA KEGG NA NA +HMDB00289 Uric acid C5H4N4O3 168.028336 NA HMDB2010 NA NA +HMDB00289 Uric acid C5H4N4O3 168.028336 169.035536 Inhouse_sept12 NA NA +HMDB00289 Uric acid C5H4N4O3 168.02834 http://www.hmdb.ca/metabolites/HMDB00289 PFEM_hmdb_metabocards_urine NA urine +HMDB00289 Uric acid C5H4N4O3 168.02834 http://www.hmdb.ca/metabolites/HMDB00289 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00289 Uric acid C5H4N4O3 168.02834 http://www.hmdb.ca/metabolites/HMDB00289 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00289 Uric acid C5H4N4O3 168.02834 http://www.hmdb.ca/metabolites/HMDB00289 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00289 Uric acid C5H4N4O3 168.02834 http://www.hmdb.ca/metabolites/HMDB00289 HMDB NA NA +MJ003873 Uric acid C5H4N4O3 168.02834 NA MeJP NA NA +HMDB00289 Uric acid C5H4N4O3 168.02834 http://www.hmdb.ca/metabolites/HMDB00289 PFEM_hmdb_metabocards_blood NA blood +HMDB00289 Uric acid C5H4N4O3 168.02834 HMDB00289 PFEM_hmdb_metabocards_official NA NA +EUR067 Uric acid C5H4N4O3 168.028341 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR067 Uric acid C5H4N4O3 168.028341 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR067 Uric acid C5H4N4O3 168.028341 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR067 Uric acid C5H4N4O3 168.028341 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR067 Uric acid C5H4N4O3 168.028341 Wishlist HMDB NA NA +EUR067 Uric acid C5H4N4O3 168.028341 Wishlist Inhouse_PFEM NA NA +EUR067 Uric acid C5H4N4O3 168.028341 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR067 Uric acid C5H4N4O3 168.028341 Wishlist PFEM_hmdb_metabocards_official NA NA +CJneg0208 Uric acid [(M-H)]- C5H3N4O3 168.028925 C18rt(min)=1.07 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0209 Uric acid [(M-H)]- C5H3N4O3 168.028925 C18rt(min)=1.37 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0208 Uric acid [(M-H)]- C5H3N4O3 168.028925 C18rt(min)=1.07 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0209 Uric acid [(M-H)]- C5H3N4O3 168.028925 C18rt(min)=1.37 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ003874 7-Chloro-4-indanol C9H9ClO 168.034192 NA MeJP NA NA +JH067 Dihydroxyphenyl acetic acid (3,4-) [M+H]+ C8H8O4 168.0366 Rtobs11.86 PFEM_hmdb_metabocards_urine NA urine +JH067 Dihydroxyphenyl acetic acid (3,4-) [M+H]+ C8H8O4 168.0366 11.86 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH067 Dihydroxyphenyl acetic acid (3,4-) [M+H]+ C8H8O4 168.0366 Rtobs11.86 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH067 Dihydroxyphenyl acetic acid (3,4-) [M+H]+ C8H8O4 168.0366 11.86 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH067 Dihydroxyphenyl acetic acid (3,4-) [M+H]+ C8H8O4 168.0366 Rtobs11.86 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH067 Dihydroxyphenyl acetic acid (3,4-) [M+H]+ C8H8O4 168.0366 11.86 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH067 Dihydroxyphenyl acetic acid (3,4-) [M+H]+ C8H8O4 168.0366 Rtobs11.86 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH067 Dihydroxyphenyl acetic acid (3,4-) [M+H]+ C8H8O4 168.0366 Rtobs11.86 HMDB NA NA +JH067 Dihydroxyphenyl acetic acid (3,4-) [M+H]+ C8H8O4 168.0366 Rtobs11.86 Inhouse_PFEM NA NA +JH067 Dihydroxyphenyl acetic acid (3,4-) [M+H]+ C8H8O4 168.0366 11.86 Inhousejuil11 NA NA +JH067 Dihydroxyphenyl acetic acid (3,4-) [M+H]+ C8H8O4 168.0366 Rtobs11.86 PFEM_hmdb_metabocards_blood NA blood +JH067 Dihydroxyphenyl acetic acid (3,4-) [M+H]+ C8H8O4 168.0366 Rtobs11.86 PFEM_hmdb_metabocards_official NA NA +PFEM083F1 Uric acid F1 168.0371 NA Inhouse_original NA NA +JH191 Phloretin (fragment2) NA 168.0394 17.67 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH191 Phloretin (fragment2) NA 168.0394 17.67 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH191 Phloretin (fragment2) NA 168.0394 17.67 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH191 Phloretin (fragment2) NA 168.0394 17.67 Inhousejuil11 NA NA +JH070 Vanillic acid C8H8O4 168.0409 Rtobs11.79 PFEM_hmdb_metabocards_urine NA urine +JH070 Vanillic acid [M+H]+ C8H8O4 168.0409 11.79 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH070 Vanillic acid C8H8O4 168.0409 Rtobs11.79 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH070 Vanillic acid [M+H]+ C8H8O4 168.0409 11.79 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH070 Vanillic acid C8H8O4 168.0409 Rtobs11.79 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH070 Vanillic acid [M+H]+ C8H8O4 168.0409 11.79 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH070 Vanillic acid C8H8O4 168.0409 Rtobs11.79 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH070 Vanillic acid C8H8O4 168.0409 Rtobs11.79 HMDB NA NA +JH070 Vanillic acid C8H8O4 168.0409 Rtobs11.79 Inhouse_PFEM NA NA +JH070 Vanillic acid [M+H]+ C8H8O4 168.0409 11.79 Inhousejuil11 NA NA +JH070 Vanillic acid C8H8O4 168.0409 Rtobs11.79 PFEM_hmdb_metabocards_blood NA blood +JH070 Vanillic acid C8H8O4 168.0409 Rtobs11.79 PFEM_hmdb_metabocards_official NA NA +HMDB00130 Homogentisic acid C8H8O4 168.042252 NA HMDB2010 NA NA +HMDB00484 Vanillic acid C8H8O4 168.042252 NA HMDB2010 NA NA +HMDB00750 3-Hydroxymandelic acid C8H8O4 168.042252 NA HMDB2010 NA NA +HMDB00822 p-Hydroxymandelic acid C8H8O4 168.042252 NA HMDB2010 NA NA +HMDB01336 3,4-Dihydroxybenzeneacetic acid C8H8O4 168.042252 NA HMDB2010 NA NA +HMDB01868 5-Methoxysalicylic acid C8H8O4 168.042252 NA HMDB2010 NA NA +HMDB06242 3,4-Dihydroxymandelaldehyde C8H8O4 168.042252 NA HMDB2010 NA NA +MJ003875 2,6-Dihydroxyphenylacetate C8H8O4 168.042258 NA MeJP NA NA +MJ003876 2-Hydroxy-6-oxoocta-2,4,7-trienoate C8H8O4 168.042258 NA MeJP NA NA +MJ003877 3,4-Dihydroxymandelaldehyde C8H8O4 168.042258 NA MeJP NA NA +MJ003878 3,4-Dihydroxyphenylacetate C8H8O4 168.042258 NA MeJP NA NA +MJ003879 (R)-4-Hydroxymandelate C8H8O4 168.042258 NA MeJP NA NA +MJ003880 (S)-4-Hydroxymandelate C8H8O4 168.042258 NA MeJP NA NA +MJ003881 Homogentisate C8H8O4 168.042258 NA MeJP NA NA +MJ003882 Vanillate C8H8O4 168.042258 NA MeJP NA NA +MJ003883 (2,4-Dihydroxyphenyl)acetic acid C8H8O4 168.042258 NA MeJP NA NA +MJ003884 (2,5-Dihydroxyphenyl)acetic acid C8H8O4 168.042258 NA MeJP NA NA +MJ003885 (3,4-Dihydroxyphenyl)acetic acid C8H8O4 168.042258 NA MeJP NA NA +MJ003886 1,2,3-Benzenetriol; 1-Ac C8H8O4 168.042258 NA MeJP NA NA +MJ003887 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid C8H8O4 168.042258 NA MeJP NA NA +MJ003888 2',3',4'-Trihydroxyacetophenone C8H8O4 168.042258 NA MeJP NA NA +MJ003889 2',4',6'-Trihydroxyacetophenone C8H8O4 168.042258 NA MeJP NA NA +MJ003890 2,3',4'-Trihydroxyacetophenone C8H8O4 168.042258 NA MeJP NA NA +MJ003891 2,3-Dihydroxy-1,4-benzoquinone; Di-Me ether C8H8O4 168.042258 NA MeJP NA NA +MJ003892 2,3-Dihydroxy-5,6-dimethyl-1,4-benzoquinone C8H8O4 168.042258 NA MeJP NA NA +MJ003893 2,3-Dihydroxy-5-methyl-1,4-benzoquinone; 2-Me ether C8H8O4 168.042258 NA MeJP NA NA +MJ003894 2,3-Dihydroxy-5-methyl-1,4-benzoquinone; 3-Me ether C8H8O4 168.042258 NA MeJP NA NA +MJ003895 2,3-Dihydroxybenzoic acid; 3-Me ether C8H8O4 168.042258 NA MeJP NA NA +MJ003896 2,4-Dihydroxy-6-hydroxymethylbenzaldehyde C8H8O4 168.042258 NA MeJP NA NA +MJ003897 2,4-Dihydroxy-6-methylbenzoic acid C8H8O4 168.042258 NA MeJP NA NA +MJ003898 2,4-Dihydroxybenzoic acid; 2-Me ether C8H8O4 168.042258 NA MeJP NA NA +MJ003899 2,4-Dihydroxybenzoic acid; 4-Me ether C8H8O4 168.042258 NA MeJP NA NA +MJ003900 2,4-Dihydroxybenzoic acid; Me ester C8H8O4 168.042258 NA MeJP NA NA +MJ003901 2,5-Dihydroxy-1,4-benzoquinone; Di-Me ether C8H8O4 168.042258 NA MeJP NA NA +MJ003902 2,5-Dihydroxybenzoic acid; Me ester C8H8O4 168.042258 NA MeJP NA NA +MJ003903 2,6-Dihydroxy-1,4-benzoquinone; Di-Me ether C8H8O4 168.042258 NA MeJP NA NA +MJ003904 2,6-Dihydroxy-3,5-dimethyl-1,4-benzoquinone C8H8O4 168.042258 NA MeJP NA NA +MJ003905 2,6-Dihydroxy-4-methylbenzoic acid C8H8O4 168.042258 NA MeJP NA NA +MJ003906 2,6-Dihydroxybenzoic acid; Mono-Me ether C8H8O4 168.042258 NA MeJP NA NA +MJ003907 2-Hydroxy-2-(4-hydroxyphenyl)acetic acid C8H8O4 168.042258 NA MeJP NA NA +MJ003908 3,3a,7,7a-Tetrahydro-3a-hydroxy-2,6-benzofurandione C8H8O4 168.042258 NA MeJP NA NA +MJ003909 3,4,6-Trihydroxy-2-methylbenzaldehyde C8H8O4 168.042258 NA MeJP NA NA +MJ003910 3,4-Dihydroxybenzoic acid; 3-Me ether C8H8O4 168.042258 NA MeJP NA NA +MJ003911 3,4-Dihydroxybenzoic acid; 4-Me ether C8H8O4 168.042258 NA MeJP NA NA +MJ003912 3,4-Dihydroxybenzoic acid; Me ester C8H8O4 168.042258 NA MeJP NA NA +MJ003913 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one C8H8O4 168.042258 NA MeJP NA NA +MJ003914 3-Ethyl-2,5-dihydroxy-1,4-benzoquinone C8H8O4 168.042258 NA MeJP NA NA +MJ003915 4-Ethyl-2-oxo-2H-pyran-6-carboxylic acid C8H8O4 168.042258 NA MeJP NA NA +MJ003916 4-Hydroxy-6-(2-oxopropyl)-2H-pyran-2-one C8H8O4 168.042258 NA MeJP NA NA +MJ003917 Citreopyrones; Citreopyrone C C8H8O4 168.042258 NA MeJP NA NA +MJ003918 Griffonilide C8H8O4 168.042258 NA MeJP NA NA +MJ003919 Xanthofusin C8H8O4 168.042258 NA MeJP NA NA +MetaCyc01314 vanillate [4-hydroxy-3-methoxybenzoate;] C8H8O4 168.042259 NA metacyc NA NA +MetaCyc01315 homogentisate [2,5-dihydroxyphenylacetate;] C8H8O4 168.042259 NA metacyc NA NA +MetaCyc01316 3,4-dihydroxyphenylglycolaldehyde [] C8H8O4 168.042259 NA metacyc NA NA +MetaCyc01317 3,4-dihydroxyphenylacetate [3,4-Dihydroxyphenylacetic acid;Homoprotocatechuate;] C8H8O4 168.042259 102-32-9 metacyc NA NA +MetaCyc01318 orsellinate [o-Orsellinic acid;2,4-Dihydroxy-6-methylbenzoic acid;2,4-Dihydroxy-6-methylbenzoate;4,6-Dihydroxy-o-toluic acid;] C8H8O4 168.042259 480-64-8 metacyc NA NA +MetaCyc01319 (S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate [] C8H8O4 168.042259 NA metacyc NA NA +MetaCyc01320 (S)-4-Hydroxymandelate [L-p-hydroxymandelate;L-4-hydroxymandelate;] C8H8O4 168.042259 NA metacyc NA NA +MetaCyc01321 (R)-4-Hydroxymandelate [D-p-hydroxymandelate;D-4-hydroxymandelate;] C8H8O4 168.042259 NA metacyc NA NA +MetaCyc01322 4-hydroxymandelate [] C8H8O4 168.042259 NA metacyc NA NA +HMDB00130 Homogentisic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00130 PFEM_hmdb_metabocards_urine NA urine +HMDB00750 3-Hydroxymandelic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00750 PFEM_hmdb_metabocards_urine NA urine +HMDB00822 p-Hydroxymandelic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00822 PFEM_hmdb_metabocards_urine NA urine +HMDB01336 3,4-Dihydroxybenzeneacetic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB01336 PFEM_hmdb_metabocards_urine NA urine +HMDB00130 Homogentisic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00130 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00484 Vanillic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00484 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00750 3-Hydroxymandelic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00750 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01336 3,4-Dihydroxybenzeneacetic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB01336 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00130 Homogentisic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00130 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00750 3-Hydroxymandelic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00750 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00822 p-Hydroxymandelic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00822 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01336 3,4-Dihydroxybenzeneacetic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB01336 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00130 Homogentisic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00130 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00750 3-Hydroxymandelic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00750 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00822 p-Hydroxymandelic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00822 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01336 3,4-Dihydroxybenzeneacetic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB01336 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00130 Homogentisic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00130 HMDB NA NA +HMDB00484 Vanillic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00484 HMDB NA NA +HMDB00750 3-Hydroxymandelic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00750 HMDB NA NA +HMDB00822 p-Hydroxymandelic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00822 HMDB NA NA +HMDB01336 3,4-Dihydroxybenzeneacetic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB01336 HMDB NA NA +HMDB01868 5-Methoxysalicylic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB01868 HMDB NA NA +HMDB06242 3,4-Dihydroxymandelaldehyde C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB06242 HMDB NA NA +HMDB00130 Homogentisic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00130 PFEM_hmdb_metabocards_blood NA blood +HMDB00484 Vanillic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00484 PFEM_hmdb_metabocards_blood NA blood +HMDB00750 3-Hydroxymandelic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB00750 PFEM_hmdb_metabocards_blood NA blood +HMDB01336 3,4-Dihydroxybenzeneacetic acid C8H8O4 168.04227 http://www.hmdb.ca/metabolites/HMDB01336 PFEM_hmdb_metabocards_blood NA blood +HMDB00130 Homogentisic acid C8H8O4 168.04227 HMDB00130 PFEM_hmdb_metabocards_official NA NA +HMDB00484 Vanillic acid C8H8O4 168.04227 HMDB00484 PFEM_hmdb_metabocards_official NA NA +HMDB00750 3-Hydroxymandelic acid C8H8O4 168.04227 HMDB00750 PFEM_hmdb_metabocards_official NA NA +HMDB00822 p-Hydroxymandelic acid C8H8O4 168.04227 HMDB00822 PFEM_hmdb_metabocards_official NA NA +HMDB01336 3,4-Dihydroxybenzeneacetic acid C8H8O4 168.04227 HMDB01336 PFEM_hmdb_metabocards_official NA NA +HMDB01868 5-Methoxysalicylic acid C8H8O4 168.04227 HMDB01868 PFEM_hmdb_metabocards_official NA NA +HMDB06242 3,4-Dihydroxymandelaldehyde C8H8O4 168.04227 HMDB06242 PFEM_hmdb_metabocards_official NA NA +C00544 Homogentisate C8H8O4 168.0423 NA KEGG NA NA +C01161 3,4-Dihydroxyphenylacetate C8H8O4 168.0423 NA KEGG NA NA +C01839 Orsellinate C8H8O4 168.0423 NA KEGG NA NA +C03198 (S)-4-Hydroxymandelate C8H8O4 168.0423 NA KEGG NA NA +C03235 4-Hydroxypheoxyacetate C8H8O4 168.0423 NA KEGG NA NA +C03236 5'-Phosphodinucleotide C10H18O13P2R2 168.0423 NA KEGG NA NA +C05343 (R)-4-Hydroxymandelate C8H8O4 168.0423 NA KEGG NA NA +C05577 3,4-Dihydroxymandelaldehyde C8H8O4 168.0423 NA KEGG NA NA +C06207 2,6-Dihydroxyphenylacetate C8H8O4 168.0423 NA KEGG NA NA +C06672 Vanillate C8H8O4 168.0423 NA KEGG NA NA +C07087 2-Hydroxy-6-oxoocta-2,4,7-trienoate C8H8O4 168.0423 NA KEGG NA NA +C10331 2,6-Dimethoxybenzoquinone C8H8O4 168.0423 NA KEGG NA NA +C11527 4-Hydroxymandelate C8H8O4 168.0423 NA KEGG NA NA +C11529 N-Carbamoyl-L-amino acid C3H5N2O3R 168.0423 NA KEGG NA NA +C11531 6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranoside C11H19O10R 168.0423 NA KEGG NA NA +C14109 4-Hydroxymethylsalicylate C8H8O4 168.0423 NA KEGG NA NA +C16215 1,2-Dihydrophthalic acid C8H8O4 168.0423 NA KEGG NA NA +CJneg0210 3,4-dihydroxyphenylacetic acid [(M-H)]- C8H7O4 168.042825 C18rt(min)=5.21 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0211 3-Methoxysalicylic acid [(M-H)]- C8H7O4 168.042825 C18rt(min)=6.9 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0212 4-hydroxymandelic acid [(M-H)]- C8H7O4 168.042825 C18rt(min)=2.53 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0213 Methoxysalicylic acid isomer [(M-H)]- C8H7O4 168.042825 C18rt(min)=6.9 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0214 Methoxysalicylic acid isomer [(M-H)]- C8H7O4 168.042825 C18rt(min)=6.2 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0215 Hydroxymandelic acid isomer [(M-H)]- C8H7O4 168.042825 C18rt(min)=5.6 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0210 3,4-dihydroxyphenylacetic acid [(M-H)]- C8H7O4 168.042825 C18rt(min)=5.21 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0211 3-Methoxysalicylic acid [(M-H)]- C8H7O4 168.042825 C18rt(min)=6.9 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0212 4-hydroxymandelic acid [(M-H)]- C8H7O4 168.042825 C18rt(min)=2.53 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0213 Methoxysalicylic acid isomer [(M-H)]- C8H7O4 168.042825 C18rt(min)=6.9 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0214 Methoxysalicylic acid isomer [(M-H)]- C8H7O4 168.042825 C18rt(min)=6.2 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0215 Hydroxymandelic acid isomer [(M-H)]- C8H7O4 168.042825 C18rt(min)=5.6 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0386 Glutamine [M+Na]+ C5H10O3N2Na 168.050575 C18rt(min)=0.87 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0386 Glutamine [M+Na]+ C5H10O3N2Na 168.050575 C18rt(min)=0.87 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ003920 2-Amino-1,4-benzenediol; N-Me, N-nitroso C7H8N2O3 168.053492 NA MeJP NA NA +HMDB13159 2,3-Diaminosalicylic acid C7H8N2O3 168.053497 NA HMDB2010 NA NA +CJneg0216 1-Methylxanthine [(M-H)]- (18O) C6H5N4O18O 168.053825 C18rt(min)=4.23 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0216 1-Methylxanthine [(M-H)]- (18O) C6H5N4O18O 168.053825 C18rt(min)=4.23 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C07729 Dibenzofuran C12H8O 168.0575 NA KEGG NA NA +C07730 Transferred to D00632 C12H8O 168.0575 NA KEGG NA NA +C08398 Capillin C12H8O 168.0575 NA KEGG NA NA +MJ003921 1-Phenyl-2,4-hexadiyn-1-one C12H8O 168.057514 NA MeJP NA NA +MJ003922 Dibenzofuran C12H8O 168.057514 NA MeJP NA NA +MetaCyc01323 dibenzofuran [DBF;diphenylene oxide;] C12H8O1 168.057515 132-64-9 metacyc NA NA +C15075 3-Fluoro-1-(4-hydroxyphenyl)-1-propanone C9H9FO2 168.0587 NA KEGG NA NA +C14149 N-Cyclopropylammelide C6H8N4O2 168.0647 NA KEGG NA NA +MJ003923 Azepinomycin C6H8N4O2 168.064725 NA MeJP NA NA +MetaCyc01324 N-cyclopropylammelide [6-(cyclopropylamino)-1,3,5-triazine-2,4-diol;2,4-dihydroxy-6-(cyclopropylamino)-1,3,5-triazine;] C6H8N4O2 168.064726 NA metacyc NA NA +C11320 D-Ornithine hydrochloride C5H12N2O2 168.0666 NA KEGG NA NA +MJ003924 3-(2-Isocyanoethenyl)-1H-indole C11H8N2 168.068748 NA MeJP NA NA +MJ003925 ?-Carboline C11H8N2 168.068748 NA MeJP NA NA +MJ003926 6-Amino-4,5,6,7-tetrahydrobenzothiazole; N-Me C8H12N2S 168.072119 NA MeJP NA NA +C16250 MTIC C5H8N6O 168.076 NA KEGG NA NA +MJ003927 1-(3,5-Dihydroxyphenyl)-2-propanol C9H12O3 168.078644 NA MeJP NA NA +MJ003928 1-(3-Furanyl)-1,4-pentanediol; 1-Ketone C9H12O3 168.078644 NA MeJP NA NA +MJ003929 1-(3-Furanyl)-1,4-pentanediol; 4-Ketone C9H12O3 168.078644 NA MeJP NA NA +MJ003930 1-(4-Hydroxyphenyl)-1,2-ethanediol, 4'-Me ether C9H12O3 168.078644 NA MeJP NA NA +MJ003931 1-(4-Hydroxyphenyl)-1,2-propanediol C9H12O3 168.078644 NA MeJP NA NA +MJ003932 2,4-Dimethyl-1,3,5-benzenetriol; 3-Me ether C9H12O3 168.078644 NA MeJP NA NA +MJ003933 2,5-Dihydroxybenzyl alcohol; 2-Et ether C9H12O3 168.078644 NA MeJP NA NA +MJ003934 2-(2-Hydroxyethyl)-4-methoxyphenol C9H12O3 168.078644 NA MeJP NA NA +MJ003935 2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether C9H12O3 168.078644 NA MeJP NA NA +MJ003936 2-Hydroxy-2,4-dimethyl-5-propenyl-3(2H)-furanone C9H12O3 168.078644 NA MeJP NA NA +MJ003937 3,4-Dimethoxybenzyl alcohol C9H12O3 168.078644 NA MeJP NA NA +MJ003938 3,5-Nonadiyne-1,2,7-triol C9H12O3 168.078644 NA MeJP NA NA +MJ003939 3-(3,4-Dihydroxyphenyl)-1-propanol C9H12O3 168.078644 NA MeJP NA NA +MJ003940 3-(4-Hydroxyphenyl)-1,2-propanediol C9H12O3 168.078644 NA MeJP NA NA +MJ003941 5-Ethyl-4-methoxy-6-methyl-2H-pyran-2-one C9H12O3 168.078644 NA MeJP NA NA +MJ003942 5-Methyl-1,2,3-benzenetriol; 1,3-Di-Me ether C9H12O3 168.078644 NA MeJP NA NA +MJ003943 6-(3-Oxo-1-cyclopropen-1-yl)hexanoic acid C9H12O3 168.078644 NA MeJP NA NA +MJ003944 6-Ethyl-4-hydroxy-3,5-dimethyl-2H-pyran-2-one C9H12O3 168.078644 NA MeJP NA NA +MJ003945 6-Ethyl-4-methoxy-5-methyl-2H-pyran-2-one C9H12O3 168.078644 NA MeJP NA NA +MJ003946 Avellaneol C9H12O3 168.078644 NA MeJP NA NA +MJ003947 Crescentin V C9H12O3 168.078644 NA MeJP NA NA +MJ003948 Serpenone C9H12O3 168.078644 NA MeJP NA NA +MetaCyc01325 6-isobutyl-4-hydroxy-2-pyrone [] C9H12O3 168.078644 NA metacyc NA NA +C06459 N-Trimethyl-2-aminoethylphosphonate C5H15NO3P 168.079 NA KEGG NA NA +C06461 Hydroxyaldehyde C2H3O2R 168.079 NA KEGG NA NA +CJpos0387 Lysine [M+Na]+ C6H14O2N2Na 168.086975 C18rt(min)=0.8 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0387 Lysine [M+Na]+ C6H14O2N2Na 168.086975 C18rt(min)=0.8 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0388 Pyridoxamine isomer [(M+H)]+ C8H13N2O2 168.089375 C18rt(min)=4.6 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0389 Pyridoxamine isomer [(M+H)]+ C8H13N2O2 168.089375 C18rt(min)=4.45 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0388 Pyridoxamine isomer [(M+H)]+ C8H13N2O2 168.089375 C18rt(min)=4.6 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0389 Pyridoxamine isomer [(M+H)]+ C8H13N2O2 168.089375 C18rt(min)=4.45 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +HMDB01431 Pyridoxamine C8H12N2O2 168.08987 http://www.hmdb.ca/metabolites/HMDB01431 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01431 Pyridoxamine C8H12N2O2 168.08987 http://www.hmdb.ca/metabolites/HMDB01431 HMDB NA NA +HMDB01431 Pyridoxamine C8H12N2O2 168.08987 http://www.hmdb.ca/metabolites/HMDB01431 PFEM_hmdb_metabocards_blood NA blood +HMDB01431 Pyridoxamine C8H12N2O2 168.08987 HMDB01431 PFEM_hmdb_metabocards_official NA NA +HMDB01431 Pyridoxamine C8H12N2O2 168.089874 NA HMDB2010 NA NA +MJ003949 Pyridoxamine C8H12N2O2 168.089877 NA MeJP NA NA +MJ003950 3-Isopropyl-6-methylene-2,5-piperazinedione C8H12N2O2 168.089877 NA MeJP NA NA +MJ003951 Cyclo(prolylalanyl) C8H12N2O2 168.089877 NA MeJP NA NA +MJ003952 Loline; N-De-Me, N-formyl C8H12N2O2 168.089877 NA MeJP NA NA +EUR072 Pyridoxamine C8H12N2O2 168.089878 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR072 Pyridoxamine C8H12N2O2 168.089878 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR072 Pyridoxamine C8H12N2O2 168.089878 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR072 Pyridoxamine C8H12N2O2 168.089878 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR072 Pyridoxamine C8H12N2O2 168.089878 Wishlist HMDB NA NA +EUR072 Pyridoxamine C8H12N2O2 168.089878 Wishlist Inhouse_PFEM NA NA +MetaCyc01326 pyridoxamine [PM;] C8H12N2O2 168.089878 85-87-0 metacyc NA NA +EUR072 Pyridoxamine C8H12N2O2 168.089878 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR072 Pyridoxamine C8H12N2O2 168.089878 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR072 Pyridoxamine C8H12N2O2 168.0899 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR072 Pyridoxamine C8H12N2O2 168.0899 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR072 Pyridoxamine C8H12N2O2 168.0899 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR072 Pyridoxamine C8H12N2O2 168.0899 Wishlist Inhousejuil11 NA NA +C00534 Pyridoxamine C8H12N2O2 168.0899 NA KEGG NA NA +C11846 Cyclo(deltaAla-L-Val) C8H12N2O2 168.0899 NA KEGG NA NA +C13710 4-PIOL C8H12N2O2 168.0899 NA KEGG NA NA +MJ003953 1,3,5,11-Tridecatetraene-7,9-diyne C13H12 168.0939 NA MeJP NA NA +MJ003954 2,4,6,8-Tridecatetrayne C13H12 168.0939 NA MeJP NA NA +C00848 6-Oxocineole C10H16O2 168.115 NA KEGG NA NA +C02108 1,2-Campholide C10H16O2 168.115 NA KEGG NA NA +C02109 1-N-Hydromicin C10H16O2 168.115 NA KEGG NA NA +C03448 (+)-exo-5-Hydroxycamphor C10H16O2 168.115 NA KEGG NA NA +C06069 Iridodial C10H16O2 168.115 NA KEGG NA NA +C08489 (Z)-3,5-Hexadienyl butyrate C10H16O2 168.115 NA KEGG NA NA +C08498 Lilac aldehyde C10H16O2 168.115 NA KEGG NA NA +C08546 Tiglyl tiglate C10H16O2 168.115 NA KEGG NA NA +C09785 (+)-Iridodial C10H16O2 168.115 NA KEGG NA NA +C09786 Iridomyrmecin C10H16O2 168.115 NA KEGG NA NA +C09804 (+)-Iridodial C10H16O2 168.115 NA KEGG NA NA +C09836 Ascaridole C10H16O2 168.115 NA KEGG NA NA +C09842 Chrysanthemic acid C10H16O2 168.115 NA KEGG NA NA +C09854 Diosphenol C10H16O2 168.115 NA KEGG NA NA +C11402 (4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone C10H16O2 168.115 NA KEGG NA NA +C11403 (3S,6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone C10H16O2 168.115 NA KEGG NA NA +C11414 (4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone C10H16O2 168.115 NA KEGG NA NA +C11418 (3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone C10H16O2 168.115 NA KEGG NA NA +C11651 8-Epiiridodial C10H16O2 168.115 NA KEGG NA NA +C11937 (1S,4R)-1-Hydroxy-2-oxolimonene C10H16O2 168.115 NA KEGG NA NA +C11943 trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid C10H16O2 168.115 NA KEGG NA NA +C11944 cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid C10H16O2 168.115 NA KEGG NA NA +C16461 Geranic acid C10H16O2 168.115 NA KEGG NA NA +C18019 1-Hydroxy-p-Menth-8-en-2-one C10H16O2 168.115 NA KEGG NA NA +MJ003955 1,2-Epoxy-p-menthan-3-one C10H16O2 168.115029 NA MeJP NA NA +MJ003956 1,3(8)-Ochtodiene-5,6-diol C10H16O2 168.115029 NA MeJP NA NA +MJ003957 1,4-Epoxy-o-menth-2-en-8-ol C10H16O2 168.115029 NA MeJP NA NA +MJ003958 1,4-Ochtodiene-3,6-diol C10H16O2 168.115029 NA MeJP NA NA +MJ003959 1,7-Octadien-3-ol, Ac C10H16O2 168.115029 NA MeJP NA NA +MJ003960 1,8-Epoxy-p-menthane; 3-Oxo C10H16O2 168.115029 NA MeJP NA NA +MJ003961 1-(2-Hydroxyethyl)-2-isopropenyl-1-methylcyclobutane, 2'-Carboxylic acid C10H16O2 168.115029 NA MeJP NA NA +MJ003962 1-(3-Hydroxymethyl-2,2-dimethylcyclopropyl)-2-methyl-2-propen-1-one C10H16O2 168.115029 NA MeJP NA NA +MJ003963 10-Pinanol, Carboxylic acid C10H16O2 168.115029 NA MeJP NA NA +MJ003964 2(10)-Pinene-3,6-diol C10H16O2 168.115029 NA MeJP NA NA +MJ003965 2,2,9-Trimethyl-1,6-dioxaspiro[4.4]non-3-ene C10H16O2 168.115029 NA MeJP NA NA +MJ003966 2,3-Epoxy-2,6-dimethyl-5,7-octadien-4-ol C10H16O2 168.115029 NA MeJP NA NA +MJ003967 2,3-Epoxy-3,7-dimethyl-6-octenal C10H16O2 168.115029 NA MeJP NA NA +MJ003968 2,4,4-Trimethyl-1-cyclohexene-1-carboxaldehyde; Carboxylic acid C10H16O2 168.115029 NA MeJP NA NA +MJ003969 2,4-Decadienoic acid C10H16O2 168.115029 NA MeJP NA NA +MJ003970 2,4-Ochtodiene-1,6-diol C10H16O2 168.115029 NA MeJP NA NA +MJ003971 2,4-Octadien-1-ol, Ac C10H16O2 168.115029 NA MeJP NA NA +MJ003972 2,5-Dihydro-2-hydroxy-3-methyl-2-(3-methyl-2-butenyl)furan C10H16O2 168.115029 NA MeJP NA NA +MJ003973 2,5-Dimethyl-4-vinyl-1,5-hexadien-3-ol, 3-Hydroperoxide C10H16O2 168.115029 NA MeJP NA NA +MJ003974 2-Cyclopentene-1-pentanoic acid C10H16O2 168.115029 NA MeJP NA NA +MJ003975 2-Hydroxy-4-pinanone C10H16O2 168.115029 NA MeJP NA NA +MJ003976 2-Hydroxy-p-menth-1-en-3-one C10H16O2 168.115029 NA MeJP NA NA +MJ003977 2-Methyl-6-methylene-1,7-octadiene; 3-Hydroperoxy C10H16O2 168.115029 NA MeJP NA NA +MJ003978 2-Methyl-6-methylene-3,7-octadien-2-ol, 2-Hydroperoxide C10H16O2 168.115029 NA MeJP NA NA +MJ003979 2-Pinene-4,10-diol C10H16O2 168.115029 NA MeJP NA NA +MJ003980 2-Pinene-9,10-diol C10H16O2 168.115029 NA MeJP NA NA +MJ003981 3,3,6-Trimethyl-1,5-heptadien-4-one; 5,6-Epoxide C10H16O2 168.115029 NA MeJP NA NA +MJ003982 3,6-Epidioxy-p-menth-1-ene C10H16O2 168.115029 NA MeJP NA NA +MJ003983 3,7-Dimethyl-2,6-octadienoic acid C10H16O2 168.115029 NA MeJP NA NA +MJ003984 3,9-Epoxy-p-menth-1-en-8-ol C10H16O2 168.115029 NA MeJP NA NA +MJ003985 3-Cyclohexyl-2-butenoic acid C10H16O2 168.115029 NA MeJP NA NA +MJ003986 3-Hydroxy-2-bornanone C10H16O2 168.115029 NA MeJP NA NA +MJ003987 3-Hydroxy-p-menth-1-en-6-one C10H16O2 168.115029 NA MeJP NA NA +MJ003988 3-Hydroxy-p-menth-1-en-7-al C10H16O2 168.115029 NA MeJP NA NA +MJ003989 3-Hydroxy-p-menth-3-en-2-one C10H16O2 168.115029 NA MeJP NA NA +MJ003990 4,7-Octadienoic acid, Et ester C10H16O2 168.115029 NA MeJP NA NA +MJ003991 4,8-Epoxy-p-menthan-3-one C10H16O2 168.115029 NA MeJP NA NA +MJ003992 4-Decen-9-olide C10H16O2 168.115029 NA MeJP NA NA +MJ003993 4-Hydroxy-2-(4-methyl-3-pentenyl)-2-butenal C10H16O2 168.115029 NA MeJP NA NA +MJ003994 4-Hydroxy-p-menth-1-en-3-one C10H16O2 168.115029 NA MeJP NA NA +MJ003995 4-Hydroxy-p-menth-8-en-3-one C10H16O2 168.115029 NA MeJP NA NA +MJ003996 5,6-Dihydro-6-pentyl-2H-pyran-2-one C10H16O2 168.115029 NA MeJP NA NA +MJ003997 5-(1-Hexenyl)-dihydro-2(3H)-furanone C10H16O2 168.115029 NA MeJP NA NA +MJ003998 5-(3-Hexenyl)-dihydro-2(3H)-furanone C10H16O2 168.115029 NA MeJP NA NA +MJ003999 5-Hydroxy-2,5-dimethyl-4-vinyl-2-hexenal C10H16O2 168.115029 NA MeJP NA NA +MJ004000 5-Hydroxy-p-menth-1-en-6-one C10H16O2 168.115029 NA MeJP NA NA +MJ004001 5-Methyl-2-methylene-4-vinyl-5-hexene-1,3-diol C10H16O2 168.115029 NA MeJP NA NA +MJ004002 5-Methyl-3-(3-methylbutyl)-2(5H)-furanone C10H16O2 168.115029 NA MeJP NA NA +MJ004003 6-Hydroxy-2,6-dimethyl-2,7-octadien-4-one C10H16O2 168.115029 NA MeJP NA NA +MJ004004 6-Hydroxy-2-camphanone C10H16O2 168.115029 NA MeJP NA NA +MJ004005 6-Hydroxy-p-menth-1-en-3-one C10H16O2 168.115029 NA MeJP NA NA +MJ004006 7-Hydroxy-p-menth-1-en-3-one C10H16O2 168.115029 NA MeJP NA NA +MJ004007 8-Hydroxy-p-menth-4-en-3-one C10H16O2 168.115029 NA MeJP NA NA +MJ004008 8-Hydroxy-p-menth-6-en-2-one C10H16O2 168.115029 NA MeJP NA NA +MJ004009 8-Nonynoic acid; Me ester C10H16O2 168.115029 NA MeJP NA NA +MJ004010 9-Decynoic acid C10H16O2 168.115029 NA MeJP NA NA +MJ004011 Allomatatabiol C10H16O2 168.115029 NA MeJP NA NA +MJ004012 Ascaridole C10H16O2 168.115029 NA MeJP NA NA +MJ004013 Bottrospicatol C10H16O2 168.115029 NA MeJP NA NA +MJ004014 Campholenic alcohol; Aldehyde, 3,4-epoxide C10H16O2 168.115029 NA MeJP NA NA +MJ004015 Chrysanthemic acid C10H16O2 168.115029 NA MeJP NA NA +MJ004016 Dihydronepetalactone C10H16O2 168.115029 NA MeJP NA NA +MJ004017 Eldanolide C10H16O2 168.115029 NA MeJP NA NA +MJ004018 Fliederaldehyde C10H16O2 168.115029 NA MeJP NA NA +MJ004019 Iridodial C10H16O2 168.115029 NA MeJP NA NA +MJ004020 Iridomyrmecin C10H16O2 168.115029 NA MeJP NA NA +MJ004021 Lineatin C10H16O2 168.115029 NA MeJP NA NA +MJ004022 Matatabiol C10H16O2 168.115029 NA MeJP NA NA +MJ004023 Pyrocin C10H16O2 168.115029 NA MeJP NA NA +MJ004024 Tetrahydro-3-hydroxy-2,2,6-trimethyl-6-vinylpyran; 3-Ketone C10H16O2 168.115029 NA MeJP NA NA +MJ004025 Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one C10H16O2 168.115029 NA MeJP NA NA +MJ004026 p-Menth-1-en-7-oic acid C10H16O2 168.115029 NA MeJP NA NA +MJ004027 6-Oxocineole C10H16O2 168.115029 NA MeJP NA NA +MJ004028 Iridodial C10H16O2 168.115029 NA MeJP NA NA +MetaCyc01327 5-exo-hydroxycamphor [(+)-exo-5-hydroxycamphor;(+)-5-exo-hydroxycamphor;] C10H16O2 168.11503 1607-84-7 metacyc NA NA +MetaCyc01328 6-oxocineole [(1S,4R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-one;] C10H16O2 168.11503 NA metacyc NA NA +MetaCyc01329 nerolate [nerolic acid;geranic acid;3,7-dimethyl-2,6-octadienoic acid;neric acid;] C10H16O2 168.11503 NA metacyc NA NA +MJ004029 Loline; N-Me C9H16N2O 168.126263 NA MeJP NA NA +MJ004030 1,5-Undecadien-3-ol C11H20O 168.151415 NA MeJP NA NA +MJ004031 1-Undecen-3-one C11H20O 168.151415 NA MeJP NA NA +MJ004032 10-Undecen-2-one C11H20O 168.151415 NA MeJP NA NA +MJ004033 2,6-Diethyl-3,4-dihydro-3,5-dimethyl-2H-pyran C11H20O 168.151415 NA MeJP NA NA +MJ004034 2-Methyl-2-bornanol C11H20O 168.151415 NA MeJP NA NA +MJ004035 2-Undecenal C11H20O 168.151415 NA MeJP NA NA +MJ004036 3-Isopropyl-6-methyl-4,6-heptadien-1-ol C11H20O 168.151415 NA MeJP NA NA +MJ004037 3-Methyl-3-decen-2-one C11H20O 168.151415 NA MeJP NA NA +MJ004038 4,6-Dimethyl-6-nonen-3-one C11H20O 168.151415 NA MeJP NA NA +MJ004039 5-Undecen-2-one C11H20O 168.151415 NA MeJP NA NA +MJ004040 ?-Cyclohomogeraniol C11H20O 168.151415 NA MeJP NA NA +MJ004041 1,1'-Bipiperidine C10H20N2 168.162648 NA MeJP NA NA +3380 ACE inhibitor RY 168.582 MH2+ Inhouse_peptide NA peptide +MJ004042 Silver nitrate (AgNO3) AgNO3 168.89291 NA MeJP NA NA +MetaCyc01330 AgNO3 [silver nitrate;nitric acid, silver(1+) salt;lunar caustic;argerol;argenti nitras;silver mononitrate;] N1O3AG1 168.892911 NA metacyc NA NA +C05688 L-Selenocysteine C3H7NO2Se 168.9642 NA KEGG NA NA +MJ004043 Selenocysteine C3H7NO2Se 168.9642 NA MeJP NA NA +MetaCyc01331 L-selenocysteine [seleno-cysteine;] C3H7N1O2SE1 168.9642 NA metacyc NA NA +C07279 2-Aminoethylarsonate C2H8AsNO3 168.972 NA KEGG NA NA +CJpos0390 Taurine (and isomer) [(M-H)+2(Na)]+ C2H6O3NNa2S 168.977975 C18rt(min)=0.88 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0390 Taurine (and isomer) [(M-H)+2(Na)]+ C2H6O3NNa2S 168.977975 C18rt(min)=0.88 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ004044 5-Chloro-2(3H)-benzoxazolone C7H4ClNO2 168.993056 NA MeJP NA NA +C07931 Chlorzoxazone C7H4ClNO2 168.9931 NA KEGG NA NA +C07932 Transferred to D00772 C7H4ClNO2 168.9931 NA KEGG NA NA +HMDB02757 Cysteic acid C3H7NO5S 169.004486 NA HMDB2010 NA NA +HMDB02757 Cysteic acid C3H7NO5S 169.00449 http://www.hmdb.ca/metabolites/HMDB02757 HMDB NA NA +HMDB02757 Cysteic acid C3H7NO5S 169.00449 HMDB02757 PFEM_hmdb_metabocards_official NA NA +MJ004045 L-Cysteate C3H7NO5S 169.004493 NA MeJP NA NA +MJ004046 Cysteic acid C3H7NO5S 169.004493 NA MeJP NA NA +MetaCyc01332 L-cysteate [cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid;] C3H7N1O5S1 169.004493 NA metacyc NA NA +C00506 L-Cysteate C3H7NO5S 169.0045 NA KEGG NA NA +C01705 Glyphosate C3H8NO5P 169.014 NA KEGG NA NA +C01706 Haloalkene C2H2XR 169.014 NA KEGG NA NA +C01707 Hemiacetal CH2O2R2 169.014 NA KEGG NA NA +C01708 Hemoglobin CH2O2R2 169.014 NA KEGG NA NA +C05672 2-Amino-3-phosphonopropanoate C3H8NO5P 169.014 NA KEGG NA NA +C11638 3-Amino-2-oxopropyl phosphate C3H8NO5P 169.014 NA KEGG NA NA +C12021 Alanylphosphate C3H8NO5P 169.014 NA KEGG NA NA +HMDB00370 2-Amino-3-phosphonopropionic acid C3H8NO5P 169.014008 NA HMDB2010 NA NA +MJ004047 2-Amino-3-phosphonopropanoic acid C3H8NO5P 169.014008 NA MeJP NA NA +MJ004048 2-Amino-3-phosphonopropanoate C3H8NO5P 169.014008 NA MeJP NA NA +MetaCyc01333 1-amino-propan-2-one-3-phosphate [] C3H8N1O5P1 169.014009 NA metacyc NA NA +HMDB00370 2-Amino-3-phosphonopropionic acid C3H8NO5P 169.01401 http://www.hmdb.ca/metabolites/HMDB00370 HMDB NA NA +HMDB00370 2-Amino-3-phosphonopropionic acid C3H8NO5P 169.01401 HMDB00370 PFEM_hmdb_metabocards_official NA NA +C16285 Thiobenzamide S,S-dioxide C7H7NO2S 169.0197 NA KEGG NA NA +C14494 4-Chloroacetanilide C8H8ClNO 169.0294 NA KEGG NA NA +C14619 o-Chloroacetanilide C8H8ClNO 169.0294 NA KEGG NA NA +CJpos0391 Uric acid [(M+H)]+ (13C) C413CH5N4O3 169.031175 C18rt(min)=1.07 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0391 Uric acid [(M+H)]+ (13C) C413CH5N4O3 169.031175 C18rt(min)=1.07 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJneg0217 Uric acid [(M-H)]- (13C) C413CH3N4O3 169.032225 C18rt(min)=1.37 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0218 Uric acid [(M-H)]- (13C) C413CH3N4O3 169.032225 C18rt(min)=1.07 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0217 Uric acid [(M-H)]- (13C) C413CH3N4O3 169.032225 C18rt(min)=1.37 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0218 Uric acid [(M-H)]- (13C) C413CH3N4O3 169.032225 C18rt(min)=1.07 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C03340 L-2,3-Dihydrodipicolinate C7H7NO4 169.0375 NA KEGG NA NA +C11465 3,5-Dihydroxyanthranilate C7H7NO4 169.0375 NA KEGG NA NA +C12477 3-Methylpyrrole-2,4-dicarboxylic acid C7H7NO4 169.0375 NA KEGG NA NA +C17385 2-Methoxy-5-nitrophenol C7H7NO4 169.0375 NA KEGG NA NA +C17386 2-Methoxy-4-nitrophenol C7H7NO4 169.0375 NA KEGG NA NA +HMDB00439 2-Furoylglycine C7H7NO4 169.037506 NA HMDB2010 NA NA +HMDB12247 L-2,3-Dihydrodipicolinate C7H7NO4 169.037506 NA HMDB2010 NA NA +MJ004049 2,3-Dihydrodipicolinate C7H7NO4 169.037507 NA MeJP NA NA +MJ004050 1H-Pyrrole-2,5-dicarboxylic acid; Mono-Me ester C7H7NO4 169.037507 NA MeJP NA NA +MJ004051 2-Amino-4,5-dihydroxybenzoic acid C7H7NO4 169.037507 NA MeJP NA NA +MJ004052 4-Hydroxy-3-nitrobenzyl alcohol C7H7NO4 169.037507 NA MeJP NA NA +MetaCyc01334 1,4-dihydrodipicolinate [1,4-dihydrodipicolinic acid;] C7H7N1O4 169.037508 NA metacyc NA NA +MetaCyc01335 L-2,3-dihydrodipicolinate [2,3-dihydrodipicolinate;dihydrodipicolinate;2,3-di-H-dipicolinate;] C7H7N1O4 169.037508 NA metacyc NA NA +HMDB00439 2-Furoylglycine C7H7NO4 169.03751 http://www.hmdb.ca/metabolites/HMDB00439 HMDB NA NA +HMDB00439 2-Furoylglycine C7H7NO4 169.03751 HMDB00439 PFEM_hmdb_metabocards_official NA NA +CJneg0219 Creatine [(M+Cl)]- (37Cl) C4H9Cl037ClN3O2 169.043725 C18rt(min)=0.93 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0219 Creatine [(M+Cl)]- (37Cl) C4H9Cl037ClN3O2 169.043725 C18rt(min)=0.93 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ004053 2-(Dimethylamino)ethanol; O-Phosphate C4H12NO4P 169.050394 NA MeJP NA NA +MJ004054 Demanyl phosphate C4H12NO4P 169.050394 NA MeJP NA NA +MetaCyc01336 N-dimethylethanolamine phosphate [P-DME;] C4H12N1O4P1 169.050394 NA metacyc NA NA +C13482 Phosphodimethylethanolamine C4H12NO4P 169.0504 NA KEGG NA NA +C13483 Transferred to D01984 C4H12NO4P 169.0504 NA KEGG NA NA +C13484 Transferred to D01985 C4H12NO4P 169.0504 NA KEGG NA NA +C13485 Transferred to D01986 C4H12NO4P 169.0504 NA KEGG NA NA +C13486 Transferred to D01987 C4H12NO4P 169.0504 NA KEGG NA NA +C13487 Transferred to D01988 C4H12NO4P 169.0504 NA KEGG NA NA +C13488 Transferred to D01989 C4H12NO4P 169.0504 NA KEGG NA NA +C13489 Transferred to D01990 C4H12NO4P 169.0504 NA KEGG NA NA +C13491 Transferred to D01991 C4H12NO4P 169.0504 NA KEGG NA NA +C13492 Transferred to D01992 C4H12NO4P 169.0504 NA KEGG NA NA +MJ004055 Ristianol C8H11NOS 169.056134 NA MeJP NA NA +MJ004056 1-(4-Chlorophenyl)-2-propylamine C9H12ClN 169.065827 NA MeJP NA NA +EUR253 Norepinephrine NA 169.073275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR253 Norepinephrine F1 NA 169.073275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR253 Norepinephrine NA 169.073275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR253 Norepinephrine F1 NA 169.073275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR253 Norepinephrine NA 169.073275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR253 Norepinephrine F1 NA 169.073275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR253 Norepinephrine NA 169.073275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR253 Norepinephrine NA 169.073275 standards wishlist analysés sur QTOF HMDB NA NA +EUR253 Norepinephrine NA 169.073275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR253 Norepinephrine F1 NA 169.073275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR253 Norepinephrine NA 169.073275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR253 Norepinephrine NA 169.073275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB00216 Norepinephrine C8H11NO3 169.07388 http://www.hmdb.ca/metabolites/HMDB00216 PFEM_hmdb_metabocards_urine NA urine +HMDB01537 6-Hydroxydopamine C8H11NO3 169.07388 http://www.hmdb.ca/metabolites/HMDB01537 PFEM_hmdb_metabocards_urine NA urine +HMDB04817 5-Hydroxydopamine C8H11NO3 169.07388 http://www.hmdb.ca/metabolites/HMDB04817 PFEM_hmdb_metabocards_urine NA urine +HMDB00216 Norepinephrine C8H11NO3 169.07388 http://www.hmdb.ca/metabolites/HMDB00216 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00239 Pyridoxine C8H11NO3 169.07388 http://www.hmdb.ca/metabolites/HMDB00239 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00216 Norepinephrine C8H11NO3 169.07388 http://www.hmdb.ca/metabolites/HMDB00216 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01537 6-Hydroxydopamine C8H11NO3 169.07388 http://www.hmdb.ca/metabolites/HMDB01537 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04817 5-Hydroxydopamine C8H11NO3 169.07388 http://www.hmdb.ca/metabolites/HMDB04817 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00216 Norepinephrine C8H11NO3 169.07388 http://www.hmdb.ca/metabolites/HMDB00216 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01537 6-Hydroxydopamine C8H11NO3 169.07388 http://www.hmdb.ca/metabolites/HMDB01537 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04817 5-Hydroxydopamine C8H11NO3 169.07388 http://www.hmdb.ca/metabolites/HMDB04817 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00216 Norepinephrine C8H11NO3 169.07388 http://www.hmdb.ca/metabolites/HMDB00216 HMDB NA NA +HMDB00239 Pyridoxine C8H11NO3 169.07388 http://www.hmdb.ca/metabolites/HMDB00239 HMDB NA NA +HMDB01537 6-Hydroxydopamine C8H11NO3 169.07388 http://www.hmdb.ca/metabolites/HMDB01537 HMDB NA NA +HMDB04817 5-Hydroxydopamine C8H11NO3 169.07388 http://www.hmdb.ca/metabolites/HMDB04817 HMDB NA NA +HMDB00216 Norepinephrine C8H11NO3 169.07388 http://www.hmdb.ca/metabolites/HMDB00216 PFEM_hmdb_metabocards_blood NA blood +HMDB00239 Pyridoxine C8H11NO3 169.07388 http://www.hmdb.ca/metabolites/HMDB00239 PFEM_hmdb_metabocards_blood NA blood +HMDB00216 Norepinephrine C8H11NO3 169.07388 HMDB00216 PFEM_hmdb_metabocards_official NA NA +HMDB00239 Pyridoxine C8H11NO3 169.07388 HMDB00239 PFEM_hmdb_metabocards_official NA NA +HMDB01537 6-Hydroxydopamine C8H11NO3 169.07388 HMDB01537 PFEM_hmdb_metabocards_official NA NA +HMDB04817 5-Hydroxydopamine C8H11NO3 169.07388 HMDB04817 PFEM_hmdb_metabocards_official NA NA +MJ004057 4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol C8H11NO3 169.073893 NA MeJP NA NA +MJ004058 Isopyridoxal C8H11NO3 169.073893 NA MeJP NA NA +MJ004059 Pyridoxine C8H11NO3 169.073893 NA MeJP NA NA +MJ004060 2-Amino-3-(3-furanyl)propanoic acid, N-Me C8H11NO3 169.073893 NA MeJP NA NA +MJ004061 2-Amino-4-hydroxy-2-cyclohexen-1-one, N-Ac C8H11NO3 169.073893 NA MeJP NA NA +MJ004062 3,4,5-Trihydroxyphenethylamine C8H11NO3 169.073893 NA MeJP NA NA +MJ004063 4-(4-Oxazolyl)-3-(hydroxymethyl)-3-buten-2-ol C8H11NO3 169.073893 NA MeJP NA NA +MJ004064 5-(2-Aminoethyl)-1,2,4-benzenetriol C8H11NO3 169.073893 NA MeJP NA NA +MJ004065 Melanoxidin C8H11NO3 169.073893 NA MeJP NA NA +MJ004066 Norepinephrine C8H11NO3 169.073893 NA MeJP NA NA +MJ004067 Pyridoxine C8H11NO3 169.073893 NA MeJP NA NA +MetaCyc01337 pyridoxine [vitamin B6;2-methyl-3-hydroxy-4,5-bis(hydroxy-methyl) pyridine;] C8H11N1O3 169.073893 65-23-6 metacyc NA NA +MetaCyc01338 noradrenaline [norepinephrine;] C8H11N1O3 169.073893 NA metacyc NA NA +MetaCyc01339 6-hydroxydopamine [oxidopamine;hydroxydopamine;] C8H11N1O3 169.073893 NA metacyc NA NA +EUR073 Pyridoxine C8H11NO3 169.073894 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR073 Pyridoxine C8H11NO3 169.073894 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR073 Pyridoxine C8H11NO3 169.073894 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR073 Pyridoxine C8H11NO3 169.073894 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR073 Pyridoxine C8H11NO3 169.073894 Wishlist HMDB NA NA +EUR073 Pyridoxine C8H11NO3 169.073894 Wishlist Inhouse_PFEM NA NA +EUR073 Pyridoxine C8H11NO3 169.073894 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR073 Pyridoxine C8H11NO3 169.073894 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00216 Norepinephrine C8H11NO3 169.073898 NA HMDB2010 NA NA +HMDB00239 Pyridoxine C8H11NO3 169.073898 NA HMDB2010 NA NA +HMDB01537 6-Hydroxydopamine C8H11NO3 169.073898 NA HMDB2010 NA NA +HMDB04817 5-Hydroxydopamine C8H11NO3 169.073898 NA HMDB2010 NA NA +EUR073 Pyridoxine C8H11NO3 169.0739 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR194 Norepinephrine C8H11NO3 169.0739 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR073 Pyridoxine C8H11NO3 169.0739 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR194 Norepinephrine C8H11NO3 169.0739 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR073 Pyridoxine C8H11NO3 169.0739 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR194 Norepinephrine C8H11NO3 169.0739 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR073 Pyridoxine C8H11NO3 169.0739 Wishlist Inhousejuil11 NA NA +EUR194 Norepinephrine C8H11NO3 169.0739 Wishlist Inhousejuil11 NA NA +C00314 Pyridoxine C8H11NO3 169.0739 NA KEGG NA NA +C00547 L-Noradrenaline C8H11NO3 169.0739 NA KEGG NA NA +EUR319 Pyridoxine F1 C8H11NO3 169.074975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR319 Pyridoxine F1 NA 169.074975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR319 Pyridoxine F1 C8H11NO3 169.074975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR319 Pyridoxine F1 NA 169.074975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR319 Pyridoxine F1 C8H11NO3 169.074975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR319 Pyridoxine F1 NA 169.074975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR319 Pyridoxine F1 C8H11NO3 169.074975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR319 Pyridoxine F1 C8H11NO3 169.074975 standards wishlist analysés sur QTOF HMDB NA NA +EUR319 Pyridoxine F1 C8H11NO3 169.074975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR319 Pyridoxine F1 NA 169.074975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR319 Pyridoxine F1 C8H11NO3 169.074975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR319 Pyridoxine F1 C8H11NO3 169.074975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +JH073 Methyl-L-histidine (3-) [M+H]+ C7H11N3O2 169.0832 Rtobs1.02 PFEM_hmdb_metabocards_urine NA urine +JH073 Methyl-L-histidine (3-) [M+H]+ C7H11N3O2 169.0832 1.02 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH073 Methyl-L-histidine (3-) [M+H]+ C7H11N3O2 169.0832 Rtobs1.02 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH073 Methyl-L-histidine (3-) [M+H]+ C7H11N3O2 169.0832 1.02 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH073 Methyl-L-histidine (3-) [M+H]+ C7H11N3O2 169.0832 Rtobs1.02 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH073 Methyl-L-histidine (3-) [M+H]+ C7H11N3O2 169.0832 1.02 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH073 Methyl-L-histidine (3-) [M+H]+ C7H11N3O2 169.0832 Rtobs1.02 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH073 Methyl-L-histidine (3-) [M+H]+ C7H11N3O2 169.0832 Rtobs1.02 HMDB NA NA +JH073 Methyl-L-histidine (3-) [M+H]+ C7H11N3O2 169.0832 Rtobs1.02 Inhouse_PFEM NA NA +JH073 Methyl-L-histidine (3-) [M+H]+ C7H11N3O2 169.0832 170.0904 Inhouse_sept12 NA NA +JH073 Methyl-L-histidine (3-) [M+H]+ C7H11N3O2 169.0832 1.02 Inhousejuil11 NA NA +JH073 Methyl-L-histidine (3-) [M+H]+ C7H11N3O2 169.0832 Rtobs1.02 PFEM_hmdb_metabocards_blood NA blood +JH073 Methyl-L-histidine (3-) [M+H]+ C7H11N3O2 169.0832 Rtobs1.02 PFEM_hmdb_metabocards_official NA NA +CJpos0392 Methylhistidine isomers [(M+H)]+ C7H12N3O2 169.084575 C18rt(min)=0.78 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0392 Methylhistidine isomers [(M+H)]+ C7H12N3O2 169.084575 C18rt(min)=0.78 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +EUR621 1-Methyl-L-Histidine [M+H]+ 169.0851 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR621 1-Methyl-L-Histidine [M+H]+ 169.0851 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR621 1-Methyl-L-Histidine [M+H]+ 169.0851 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR621 1-Methyl-L-Histidine [M+H]+ 169.0851 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C01152 N(pi)-Methyl-L-histidine C7H11N3O2 169.0851 NA KEGG NA NA +C01153 Orthophosphoric monoester PH2O4R 169.0851 NA KEGG NA NA +C03298 Nalpha-Methylhistidine C7H11N3O2 169.0851 NA KEGG NA NA +MJ004068 N(pai)-Methyl-L-histidine C7H11N3O2 169.085126 NA MeJP NA NA +MJ004069 1-Methylhistidine C7H11N3O2 169.085126 NA MeJP NA NA +MJ004070 2-Isopropyl-1-methyl-5-nitroimidazole C7H11N3O2 169.085126 NA MeJP NA NA +MJ004071 3-Methylhistidine C7H11N3O2 169.085126 NA MeJP NA NA +MJ004072 Aminozooanemonin C7H11N3O2 169.085126 NA MeJP NA NA +MetaCyc01340 N(π)-methyl-L-histidine [1-methyl-histidine;] C7H11N3O2 169.085127 NA metacyc NA NA +HMDB00001 1-Methylhistidine C7H11N3O2 169.085129 NA HMDB2010 NA NA +HMDB00479 3-Methylhistidine C7H11N3O2 169.085129 NA HMDB2010 NA NA +HMDB00001 1-Methylhistidine C7H11N3O2 169.08513 http://www.hmdb.ca/metabolites/HMDB00001 PFEM_hmdb_metabocards_urine NA urine +HMDB00479 3-Methylhistidine C7H11N3O2 169.08513 http://www.hmdb.ca/metabolites/HMDB00479 PFEM_hmdb_metabocards_urine NA urine +HMDB00001 1-Methylhistidine C7H11N3O2 169.08513 http://www.hmdb.ca/metabolites/HMDB00001 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00479 3-Methylhistidine C7H11N3O2 169.08513 http://www.hmdb.ca/metabolites/HMDB00479 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00001 1-Methylhistidine C7H11N3O2 169.08513 http://www.hmdb.ca/metabolites/HMDB00001 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00479 3-Methylhistidine C7H11N3O2 169.08513 http://www.hmdb.ca/metabolites/HMDB00479 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00001 1-Methylhistidine C7H11N3O2 169.08513 http://www.hmdb.ca/metabolites/HMDB00001 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00479 3-Methylhistidine C7H11N3O2 169.08513 http://www.hmdb.ca/metabolites/HMDB00479 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00001 1-Methylhistidine C7H11N3O2 169.08513 http://www.hmdb.ca/metabolites/HMDB00001 HMDB NA NA +HMDB00479 3-Methylhistidine C7H11N3O2 169.08513 http://www.hmdb.ca/metabolites/HMDB00479 HMDB NA NA +HMDB00001 1-Methylhistidine C7H11N3O2 169.08513 NA ;SYN:(2S)-2-acetamidobutanedioic acid; (S)-2-(acetylamino)butanedioic acid; (S)-2-(acetylamino)succinic acid; Acetyl-l-aspartate; Acetyl-l-aspartic acid; Acetylaspartate; Acetylaspartic acid; L-n-acetylaspartate; L-n-acetylaspartic acid; N-acetyl-l-aspartate; N-acetyl-l-aspartic acid; N-acetyl-s-aspartate; N-acetyl-s-aspartic acid; N-acetylaspartate; N-acetylaspartic acid; NAA; (2S)-2-acetamidobutanedioate; (S)-2-(acetylamino)butanedioateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00479 3-Methylhistidine C7H11N3O2 169.08513 Short chain quaternary ammonium salts ;SYN:Choline phosphate; N-Trimethyl-2-aminoethylphosphonate; O-Phosphocholine; Phosphocholine; Phosphoryl-cholineH2Blood; Breast Milk; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00001 1-Methylhistidine C7H11N3O2 169.08513 http://www.hmdb.ca/metabolites/HMDB00001 PFEM_hmdb_metabocards_blood NA blood +HMDB00479 3-Methylhistidine C7H11N3O2 169.08513 http://www.hmdb.ca/metabolites/HMDB00479 PFEM_hmdb_metabocards_blood NA blood +HMDB00001 1-Methylhistidine C7H11N3O2 169.08513 HMDB00001 PFEM_hmdb_metabocards_official NA NA +HMDB00479 3-Methylhistidine C7H11N3O2 169.08513 HMDB00479 PFEM_hmdb_metabocards_official NA NA +CJneg0220 Methylhistidine [(M-H)]- C7H10N3O2 169.085725 C18rt(min)=0.78 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0220 Methylhistidine [(M-H)]- C7H10N3O2 169.085725 C18rt(min)=0.78 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MLBis031 1-Methyl-L-Histidine HMDB00001_RT1_add124 169.0858 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis031 1-Methyl-L-Histidine HMDB00001_RT1_add124 169.0858 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis031 1-Methyl-L-Histidine HMDB00001_RT1_add124 169.0858 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis031 1-Methyl-L-Histidine HMDB00001_RT1_add124 169.0858 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis031 1-Methyl-L-Histidine HMDB00001_RT1_add124 169.0858 Mlbis HMDB NA NA +MLBis031 1-Methyl-L-Histidine HMDB00001_RT1_add124 169.0858 Mlbis Inhouse_PFEM NA NA +MLBis031 1-Methyl-L-Histidine HMDB00001_RT1_add124 169.0858 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis031 1-Methyl-L-Histidine HMDB00001_RT1_add124 169.0858 Mlbis PFEM_hmdb_metabocards_official NA NA +C10998 4-Aminobiphenyl C12H11N 169.0891 NA KEGG NA NA +C11016 Diphenylamine C12H11N 169.0891 NA KEGG NA NA +MJ004073 2-(1-Propenyl)quinoline C12H11N 169.089149 NA MeJP NA NA +CJpos0393 Pyridoxamine isomer [(M+H)]+ (13C) C713CH13N2O2 169.092675 C18rt(min)=4.6 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0394 Pyridoxamine isomer [(M+H)]+ (13C) C713CH13N2O2 169.092675 C18rt(min)=4.45 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0393 Pyridoxamine isomer [(M+H)]+ (13C) C713CH13N2O2 169.092675 C18rt(min)=4.6 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0394 Pyridoxamine isomer [(M+H)]+ (13C) C713CH13N2O2 169.092675 C18rt(min)=4.45 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ004074 1,2-Epoxy-1-hydroxymethylpyrrolizidine; Me ether C9H15NO2 169.110278 NA MeJP NA NA +MJ004075 1-Pyrrolizidinecarboxylic acid, Me ester C9H15NO2 169.110278 NA MeJP NA NA +MJ004076 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O9-Me C9H15NO2 169.110278 NA MeJP NA NA +MJ004077 3,3-Diethyl-2,4-piperidinedione C9H15NO2 169.110278 NA MeJP NA NA +C17730 Piperidione C9H15NO2 169.1103 NA KEGG NA NA +MJ004078 2-(2-Hydroxybutyl)piperidine, 8-Ketone, N-Me C10H19NO 169.146664 NA MeJP NA NA +MJ004079 Epilupinine C10H19NO 169.146664 NA MeJP NA NA +MJ004080 Halosaline, 8-Ketone C10H19NO 169.146664 NA MeJP NA NA +MJ004081 Lupinine C10H19NO 169.146664 NA MeJP NA NA +MJ004082 Nitramine C10H19NO 169.146664 NA MeJP NA NA +MJ004083 Virgilidine C10H19NO 169.146664 NA MeJP NA NA +MJ004084 N,N,N,3-Tetramethyl-2-oxocyclopentanemethanaminium(1+) C10H20NO(+) 169.146664 NA MeJP NA NA +C10163 Nitramine C10H19NO 169.1467 NA KEGG NA NA +C10773 Lupinine C10H19NO 169.1467 NA KEGG NA NA +MJ004085 Neramexane C11H23N 169.183049 NA MeJP NA NA +7636 ACE inhibitor from k-CN (fr, 78-80) SHP 169.571 MH2+ Inhouse_peptide NA peptide +8034 synthetic peptide PHS 169.571 MH2+ Inhouse_peptide NA peptide +7988 synthetic peptide LHA 169.5895 MH2+ Inhouse_peptide NA peptide +MJ004086 Calcium phosphinate CaH4O4P2 169.921072 NA MeJP NA NA +MJ004087 Iron(II) fumarate C4H2FeO4 169.93025 NA MeJP NA NA +MJ004088 1,2-Dichloro-1,1,2,2-tetrafluoroethane C2Cl2F4 169.931318 NA MeJP NA NA +MJ004089 1,2,3,5-Tetrathiepane C3H6S4 169.935232 NA MeJP NA NA +MJ004090 1,2,4,6-Tetrathiepane C3H6S4 169.935232 NA MeJP NA NA +MJ004091 1-Iodopropane C3H7I 169.959243 NA MeJP NA NA +MJ004092 2-Iodopropane C3H7I 169.959243 NA MeJP NA NA +MetaCyc01341 1-iodopropane [] C3H7I1 169.959243 NA metacyc NA NA +MJ004093 2-Hydroxydithiobenzoic acid C7H6OS2 169.986006 NA MeJP NA NA +CJneg0221 Uracil [(M-H)+(NaCl)]- C4H3ClN2NaO2 169.986425 C18rt(min)=1.08 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0221 Uracil [(M-H)+(NaCl)]- C4H3ClN2NaO2 169.986425 C18rt(min)=1.08 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C02543 Glycerone sulfate C3H6O6S 169.9885 NA KEGG NA NA +C02544 Glycogen synthase C3H6O6S 169.9885 NA KEGG NA NA +C02545 Glycosaminoglycan C3H6O6S 169.9885 NA KEGG NA NA +C02546 Glycyl amino acid C4H7N2O3R 169.9885 NA KEGG NA NA +C02914 (S)-2-O-Sulfolactate C3H6O6S 169.9885 NA KEGG NA NA +C11499 (S)-3-Sulfolactate C3H6O6S 169.9885 NA KEGG NA NA +C11537 (2R)-3-Sulfolactate C3H6O6S 169.9885 NA KEGG NA NA +C16069 3-Sulfolactate C3H6O6S 169.9885 NA KEGG NA NA +C17205 (R)-2-O-Sulfolactate C3H6O6S 169.9885 NA KEGG NA NA +MetaCyc01342 L-sulfolactate [(R)-3-sulfolactate;(R)-sulfolactate;] C3H6O6S1 169.988509 NA metacyc NA NA +MetaCyc01343 (S)-2-O-sulfolactate [] C3H6O6S1 169.988509 NA metacyc NA NA +MJ004094 2,2-Dichloro-1,3-cyclopentanediol C5H8Cl2O2 169.990134 NA MeJP NA NA +MJ004095 1,1,1,2,3,3,3-Heptafluoropropane C3HF7 169.996647 NA MeJP NA NA +C00111 Glycerone phosphate C3H7O6P 169.998 NA KEGG NA NA +C00118 D-Glyceraldehyde 3-phosphate C3H7O6P 169.998 NA KEGG NA NA +C00661 DL-Glyceraldehyde 3-phosphate C3H7O6P 169.998 NA KEGG NA NA +C00662 Reduced adrenal ferredoxin C3H7O6P 169.998 NA KEGG NA NA +HMDB01112 D-Glyceraldehyde 3-phosphate C3H7O6P 169.99802 http://www.hmdb.ca/metabolites/HMDB01112 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01473 Dihydroxyacetone phosphate C3H7O6P 169.99802 http://www.hmdb.ca/metabolites/HMDB01473 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01112 D-Glyceraldehyde 3-phosphate C3H7O6P 169.99802 http://www.hmdb.ca/metabolites/HMDB01112 HMDB NA NA +HMDB01473 Dihydroxyacetone phosphate C3H7O6P 169.99802 http://www.hmdb.ca/metabolites/HMDB01473 HMDB NA NA +HMDB01112 D-Glyceraldehyde 3-phosphate C3H7O6P 169.99802 http://www.hmdb.ca/metabolites/HMDB01112 PFEM_hmdb_metabocards_blood NA blood +HMDB01473 Dihydroxyacetone phosphate C3H7O6P 169.99802 http://www.hmdb.ca/metabolites/HMDB01473 PFEM_hmdb_metabocards_blood NA blood +HMDB01112 D-Glyceraldehyde 3-phosphate C3H7O6P 169.99802 HMDB01112 PFEM_hmdb_metabocards_official NA NA +HMDB01473 Dihydroxyacetone phosphate C3H7O6P 169.99802 HMDB01473 PFEM_hmdb_metabocards_official NA NA +MJ004096 Glyceraldehyde-3-phosphate C3H7O6P 169.998024 NA MeJP NA NA +MJ004097 (2R)-2-Hydroxy-3-(phosphonooxy)-propanal C3H7O6P 169.998024 NA MeJP NA NA +MJ004098 Glycerone phosphate C3H7O6P 169.998024 NA MeJP NA NA +MetaCyc01344 (S)-phospholactate [] C3H7O6P1 169.998024 NA metacyc NA NA +MetaCyc01345 (R)-phospholactate [] C3H7O6P1 169.998024 NA metacyc NA NA +MetaCyc01346 phosphopyruvate [] C3H7O6P1 169.998024 NA metacyc NA NA +MetaCyc01347 L-glyceraldehyde-3-phosphate [L-glyceraldehyde 3-phosphate;] C3H7O6P1 169.998024 NA metacyc NA NA +MetaCyc01348 D-glyceraldehyde-3-phosphate [D-glyceraldehdye-3-phosphate;3-phosphoglyceraldehyde;D-glyceraldehyde-3-P;glyceraldehyde-3-phosphate;gap;glyceraldehyde-phosphate;glyceraldehyde-P;glyceraldehyde-3-P;(2R)-2-hydroxy-3-(phosphonooxy)-propanal;] C3H7O6P1 169.998024 142-10-9 metacyc NA NA +MetaCyc01349 dihydroxy-acetone-phosphate [DHAP;glycerone-phosphate;dihydroxyacetone 3-phosphate;dihydroxyacetone-P;di-OH-acetone-P;dihydroxyacetone-phosphate;] C3H7O6P1 169.998024 57-04-5 metacyc NA NA +MetaCyc01350 D-phospholactate [phospholactate;] C3H7O6P1 169.998024 18365-82-7 metacyc NA NA +MetaCyc01351 L-lactyl-phosphate [2-phospho-L-lactate;phospholactate;] C3H7O6P1 169.998024 NA metacyc NA NA +HMDB01112 D-Glyceraldehyde 3-phosphate C3H7O6P 169.998032 NA HMDB2010 NA NA +HMDB01473 Dihydroxyacetone phosphate C3H7O6P 169.998032 NA HMDB2010 NA NA +JH030 Glutaric acid [M+K]+ NA 170.0031 4.25 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH030 Glutaric acid [M+K]+ NA 170.0031 4.25 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH030 Glutaric acid [M+K]+ NA 170.0031 4.25 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH030 Glutaric acid [M+K]+ NA 170.0031 4.25 Inhousejuil11 NA NA +MJ004099 3-(2-Furanyl)-2-mercapto-2-propenoic acid C7H6O3S 170.003764 NA MeJP NA NA +MJ004100 3-Chloro-4-hydroxybenzaldehyde; Me ether C8H7ClO2 170.013457 NA MeJP NA NA +MJ004101 4-Chloro-3-hydroxybenzaldehyde; Me ether C8H7ClO2 170.013457 NA MeJP NA NA +MJ004102 4-Chlorophenylacetate C8H7ClO2 170.013457 NA MeJP NA NA +MetaCyc01352 4-chlorophenylacetate [4-chlorophenyl acetic acid;4-chlorophenylacetic acid;4-chlorophenyl acetate;] C8H7O2CL1 170.013457 1878-66-6 metacyc NA NA +C03077 4-Chlorophenylacetate C8H7ClO2 170.0135 NA KEGG NA NA +MJ004103 Thiourocanic acid C6H6N2O2S 170.014998 NA MeJP NA NA +C05571 Thiourocanic acid C6H6N2O2S 170.015 NA KEGG NA NA +HMDB01460 Diethylthiophosphate C4H11O3PS 170.016647 NA HMDB2010 NA NA +HMDB01460 Diethylthiophosphate C4H11O3PS 170.01665 http://www.hmdb.ca/metabolites/HMDB01460 HMDB NA NA +HMDB01460 Diethylthiophosphate C4H11O3PS 170.01665 HMDB01460 PFEM_hmdb_metabocards_official NA NA +MJ004104 Diethylthiophosphoric acid C4H11O3PS 170.016651 NA MeJP NA NA +MetaCyc01353 diethylthiophosphate [DETP;Diethylthiophosphoric acid;] C4H11O3P1S1 170.016651 5871-17-0 metacyc NA NA +C06607 Diethylthiophosphoric acid C4H11O3PS 170.0167 NA KEGG NA NA +C01424 Gallate C7H6O5 170.0215 NA KEGG NA NA +HMDB05807 Gallic acid C7H6O5 170.02151 http://www.hmdb.ca/metabolites/HMDB05807 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05807 Gallic acid C7H6O5 170.02151 http://www.hmdb.ca/metabolites/HMDB05807 HMDB NA NA +HMDB05807 Gallic acid C7H6O5 170.02151 http://www.hmdb.ca/metabolites/HMDB05807 PFEM_hmdb_metabocards_blood NA blood +HMDB05807 Gallic acid C7H6O5 170.02151 HMDB05807 PFEM_hmdb_metabocards_official NA NA +MJ004105 Gallate C7H6O5 170.021523 NA MeJP NA NA +MJ004106 2,4,6-Trihydroxybenzoic acid C7H6O5 170.021523 NA MeJP NA NA +MJ004107 3,4,5-Trihydroxybenzoic acid C7H6O5 170.021523 NA MeJP NA NA +MetaCyc01354 gallate [Gallic acid;3,4,5-Trihydroxybenzoic acid;3,4,5-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid;] C7H6O5 170.021523 149-91-7 metacyc NA NA +HMDB05807 Gallic acid C7H6O5 170.02153 NA HMDB2010 NA NA +MetaCyc01355 1,3-dinitrobenzene [] C6H6N2O4 170.032757 NA metacyc NA NA +CJneg0222 Deoxyribose [(M+Cl)]- C5H10ClO4 170.035125 C18rt(min)=0.97 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0223 Deoxyribose isomer [(M+Cl)]- C5H10ClO4 170.035125 C18rt(min)=2.44 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0222 Deoxyribose [(M+Cl)]- C5H10ClO4 170.035125 C18rt(min)=0.97 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0223 Deoxyribose isomer [(M+Cl)]- C5H10ClO4 170.035125 C18rt(min)=2.44 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ004108 5-Ureido-4-imidazole carboxylate C5H6N4O3 170.04399 NA MeJP NA NA +MetaCyc01356 4-ureido-5-imidazole carboxylate [4-ureido-5-imidazole carboxylate;] C5H6N4O3 170.04399 NA metacyc NA NA +C05515 5-Ureido-4-imidazole carboxylate C5H6N4O3 170.044 NA KEGG NA NA +MJ004109 Olpimedone C7H10N2OS 170.051383 NA MeJP NA NA +MJ004110 Propylthiouracil C7H10N2OS 170.051383 NA MeJP NA NA +C07569 Propylthiouracil C7H10N2OS 170.0514 NA KEGG NA NA +CJpos0395 Dihydroxyphenylethyleneglycol isomer [(M+H)]+ C8H11O4 170.057375 C18rt(min)=5.3 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0395 Dihydroxyphenylethyleneglycol isomer [(M+H)]+ C8H11O4 170.057375 C18rt(min)=5.3 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C05576 3,4-Dihydroxyphenylethyleneglycol C8H10O4 170.0579 NA KEGG NA NA +C06720 1,6-Dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate C8H10O4 170.0579 NA KEGG NA NA +C06729 cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate C8H10O4 170.0579 NA KEGG NA NA +C06731 1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxylate C8H10O4 170.0579 NA KEGG NA NA +C07123 2-Hydroxy-6-oxo-octa-2,4-dienoate C8H10O4 170.0579 NA KEGG NA NA +C16804 Penicillic acid C8H10O4 170.0579 NA KEGG NA NA +HMDB00318 3,4-Dihydroxyphenylglycol C8H10O4 170.057907 NA HMDB2010 NA NA +MJ004111 1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxylate C8H10O4 170.057908 NA MeJP NA NA +MJ004112 1,6-Dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate C8H10O4 170.057908 NA MeJP NA NA +MJ004113 2-Hydroxy-6-oxo-octa-2,4-dienoate C8H10O4 170.057908 NA MeJP NA NA +MJ004114 3,4-Dihydroxyphenylethyleneglycol C8H10O4 170.057908 NA MeJP NA NA +MJ004115 cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate C8H10O4 170.057908 NA MeJP NA NA +MJ004116 1-(3,4-Dihydroxyphenyl)-1,2-ethanediol C8H10O4 170.057908 NA MeJP NA NA +MJ004117 1-Hydroxy-6-oxo-2-cyclohexene-1-carboxylic acid; Me ester C8H10O4 170.057908 NA MeJP NA NA +MJ004118 2-Acetyl-3,4-dimethoxyfuran C8H10O4 170.057908 NA MeJP NA NA +MJ004119 2-Acetyl-3,5-dihydroxy-2-cyclohexen-1-one C8H10O4 170.057908 NA MeJP NA NA +MJ004120 3,4-Dihydroxy-3-cyclobutene-1,2-dione; Di-Et ester C8H10O4 170.057908 NA MeJP NA NA +MJ004121 3,4-Epoxy-5-hydroxy-1-cyclohexenecarboxylic acid, Me ester C8H10O4 170.057908 NA MeJP NA NA +MJ004122 3,6-Bis(hydroxymethyl)-2-methyl-4H-pyran-4-one C8H10O4 170.057908 NA MeJP NA NA +MJ004123 5-(1-Hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one C8H10O4 170.057908 NA MeJP NA NA +MJ004124 5-(Hydroxymethyl)-1,2,3-benzenetriol; 1'-Me ether C8H10O4 170.057908 NA MeJP NA NA +MJ004125 5-Methyl-1,2,3,4-benzenetetrol; 2-Me ether C8H10O4 170.057908 NA MeJP NA NA +MJ004126 Coriloxin C8H10O4 170.057908 NA MeJP NA NA +MJ004127 Penicillic acid C8H10O4 170.057908 NA MeJP NA NA +MJ004128 Tetrahydro-4-hydroxy-5-methylene-2H-pyran-2-one; Ac C8H10O4 170.057908 NA MeJP NA NA +MetaCyc01357 cis-1,2-dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate [4-methylcyclohexa-3,5-diene-1,2-cis-diol-1-carboxylic acid;] C8H10O4 170.057909 NA metacyc NA NA +MetaCyc01358 1,6-dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate [1,2-dihydroxy-3-methylcyclohexa-3,5-dienecarboxylate;1,6-dihydroxy-5-methyl-cyclohexa-2,4-diene-1-carboxylic acid;1,6-dihydroxy-5-methylcyclohexa-2,4-diene-1-carboxylate;] C8H10O4 170.057909 NA metacyc NA NA +MetaCyc01359 1,2-dihydroxy-6-methylcyclohexa-3,5-dienecarboxylate [] C8H10O4 170.057909 NA metacyc NA NA +HMDB00318 3,4-Dihydroxyphenylglycol C8H10O4 170.05791 http://www.hmdb.ca/metabolites/HMDB00318 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00318 3,4-Dihydroxyphenylglycol C8H10O4 170.05791 http://www.hmdb.ca/metabolites/HMDB00318 HMDB NA NA +HMDB00318 3,4-Dihydroxyphenylglycol C8H10O4 170.05791 http://www.hmdb.ca/metabolites/HMDB00318 PFEM_hmdb_metabocards_blood NA blood +HMDB00318 3,4-Dihydroxyphenylglycol C8H10O4 170.05791 HMDB00318 PFEM_hmdb_metabocards_official NA NA +CJneg0224 2-hydroxybenzyl alcohol [(M-H)+(HCOOH)]- C8H9O4 170.058425 C18rt(min)=5.58 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0224 2-hydroxybenzyl alcohol [(M-H)+(HCOOH)]- C8H9O4 170.058425 C18rt(min)=5.58 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C17931 Imetit C6H10N4S 170.0626 NA KEGG NA NA +MJ004129 Imetit C6H10N4S 170.062617 NA MeJP NA NA +MJ004130 1-(2-Hydroxyphenyl)-2,4-hexadiyne C12H10O 170.073164 NA MeJP NA NA +MJ004131 1-(3-Hydroxyphenyl)-2,4-hexadiyne C12H10O 170.073164 NA MeJP NA NA +MJ004132 1-Phenyl-1-hexen-4-yn-3-one C12H10O 170.073164 NA MeJP NA NA +MJ004133 1-Phenyl-2,4-hexadiyn-1-ol C12H10O 170.073164 NA MeJP NA NA +MJ004134 2-Biphenylol C12H10O 170.073164 NA MeJP NA NA +MJ004135 4-Methyl-1-azulenecarboxaldehyde C12H10O 170.073164 NA MeJP NA NA +MJ004136 Diphenyl ether C12H10O 170.073164 NA MeJP NA NA +MetaCyc01360 2-hydroxybiphenyl [HBP;o-hydroxybiphenyl;o-hydroxydiphenyl;2-hydroxydiphenyl;2-phenylphenol;orthoxenol;2-biphenylol;o-xonal;1,1'-biphenyl-2-ol;(1,1-biphenyl)-2-ol;orthohydroxydiphenyl;biphenyl-2-ol;biphenylol;o-phenylphenol;] C12H10O1 170.073165 90-43-7 metacyc NA NA +C02499 2-Hydroxybiphenyl C12H10O 170.0732 NA KEGG NA NA +C14224 4-Hydroxybiphenyl C12H10O 170.0732 NA KEGG NA NA +C14342 3-Hydroxybiphenyl C12H10O 170.0732 NA KEGG NA NA +MJ004137 Linsidomine C6H10N4O2 170.080375 NA MeJP NA NA +MJ004138 Viomycidine C6H10N4O2 170.080375 NA MeJP NA NA +MetaCyc01361 N-isopropylammelide [2,4-dihydroxy-6-(isopropylamino)-s-triazine;OOIT;] C6H10N4O2 170.080376 NA metacyc NA NA +C06553 N-Isopropylammelide C6H10N4O2 170.0804 NA KEGG NA NA +MJ004139 4-Methyl-2,3'-bipyridine C11H10N2 170.084398 NA MeJP NA NA +MJ004140 4-Methyl-3,3'-bipyridine C11H10N2 170.084398 NA MeJP NA NA +MJ004141 5-Methyl-2,3'-bipyridine C11H10N2 170.084398 NA MeJP NA NA +MJ004142 2-Chloro-7-methyl-3-methylene-1,6-octadiene C10H15Cl 170.086228 NA MeJP NA NA +CJpos0396 Methylhistidine isomers [(M+H)]+ (13C) C613CH12N3O2 170.087975 C18rt(min)=0.78 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0396 Methylhistidine isomers [(M+H)]+ (13C) C613CH12N3O2 170.087975 C18rt(min)=0.78 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ004143 1-(3-Furanyl)-1,4-pentanediol C9H14O3 170.094294 NA MeJP NA NA +MJ004144 2-Acetyl-1-isopropylcyclopropanecarboxylic acid C9H14O3 170.094294 NA MeJP NA NA +MJ004145 4-Hydroxy-3-methyl-2-oxabicyclo[3.3.1]nonan-6-one C9H14O3 170.094294 NA MeJP NA NA +MJ004146 4-Oxo-2-nonenoic acid C9H14O3 170.094294 NA MeJP NA NA +MJ004147 5-Hydroxy-3-(1-hydroxy-2-methylpropyl)-4-methyl-2(5H)-furanone; 5-Deoxy C9H14O3 170.094294 NA MeJP NA NA +MJ004148 8-Hydroxy-6-methyl-2,4-octadienoic acid C9H14O3 170.094294 NA MeJP NA NA +MJ004149 Argyol C9H14O3 170.094294 NA MeJP NA NA +MJ004150 Buergerinin G; 3-Deoxo C9H14O3 170.094294 NA MeJP NA NA +MJ004151 Dihydro-3-(2-methyl-3-oxobutyl)-2(5H)-furanone C9H14O3 170.094294 NA MeJP NA NA +MJ004152 Isoboonein C9H14O3 170.094294 NA MeJP NA NA +MJ004153 Lachnellin D C9H14O3 170.094294 NA MeJP NA NA +MJ004154 Mentzetriol C9H14O3 170.094294 NA MeJP NA NA +MJ004155 Mitsugashiwalactone; 7?-Hydroxy C9H14O3 170.094294 NA MeJP NA NA +MJ004156 Naucleol C9H14O3 170.094294 NA MeJP NA NA +MJ004157 Ningpogenin C9H14O3 170.094294 NA MeJP NA NA +MJ004158 Serpenone; 1',2'-Dihydro C9H14O3 170.094294 NA MeJP NA NA +MJ004159 Tetrahydro-4-hydroxy-5-methyl-6-(1-propenyl)-2H-pyran-2-one C9H14O3 170.094294 NA MeJP NA NA +C14280 Furfural diethyl acetal C9H14O3 170.0943 NA KEGG NA NA +EUR473 Thromboxane B2 F6 F6 170.094925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR473 Thromboxane B2 F6 NA 170.094925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR473 Thromboxane B2 F6 F6 170.094925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR473 Thromboxane B2 F6 NA 170.094925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR473 Thromboxane B2 F6 F6 170.094925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR473 Thromboxane B2 F6 NA 170.094925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR473 Thromboxane B2 F6 F6 170.094925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR473 Thromboxane B2 F6 F6 170.094925 standards wishlist analysés sur QTOF HMDB NA NA +EUR473 Thromboxane B2 F6 F6 170.094925 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR473 Thromboxane B2 F6 NA 170.094925 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR473 Thromboxane B2 F6 F6 170.094925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR473 Thromboxane B2 F6 F6 170.094925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C11310 1-Methyl-4-phenylpyridinium C12H12N 170.097 NA KEGG NA NA +7645 ACE inhibitor from porcine myosin (981-983 PPK 170.099 MH2+ Inhouse_peptide NA peptide +8168 peptide derived from ?-casein (109-111) PPK 170.099 MH2+ Inhouse_peptide NA peptide +11 Myosin PPK 170.1 MH2+ Inhouse_peptide NA peptide +C07841 Levetiracetam C8H14N2O2 170.1055 NA KEGG NA NA +C07842 Transferred to D00710 C8H14N2O2 170.1055 NA KEGG NA NA +C07843 Transferred to D00711 C8H14N2O2 170.1055 NA KEGG NA NA +MJ004160 3-(2-Methylpropyl)-2,5-piperazinedione C8H14N2O2 170.105527 NA MeJP NA NA +MJ004161 Cyclo(alanylvalyl) C8H14N2O2 170.105527 NA MeJP NA NA +MJ004162 Etiracetam C8H14N2O2 170.105527 NA MeJP NA NA +MJ004163 1,3,5-Tridecatriene-7,9-diyne C13H14 170.10955 NA MeJP NA NA +MJ004164 2,8,10-Tridecatriene-4,6-diyne C13H14 170.10955 NA MeJP NA NA +C08395 Aethusin C13H14 170.1096 NA KEGG NA NA +HMDB04980 trans-4-Decenoic acid C10H18O2 170.130676 NA HMDB2010 NA NA +HMDB04981 cis-4-Decenoic acid C10H18O2 170.130676 NA HMDB2010 NA NA +HMDB10726 trans-Dec-2-enoic acid C10H18O2 170.130676 NA HMDB2010 NA NA +HMDB12183 8-Methylnonenoate C10H18O2 170.130676 NA HMDB2010 NA NA +MJ004165 6-endo-Hydroxycineole C10H18O2 170.130679 NA MeJP NA NA +MJ004166 1,4-Epoxy-p-menthan-2-ol C10H18O2 170.130679 NA MeJP NA NA +MJ004167 1-(3-Hydroxymethyl-2,2-dimethylcyclopropyl)-2-methyl-2-propen-1-one; 2,3-Dihydro C10H18O2 170.130679 NA MeJP NA NA +MJ004168 1-Octen-3-ol, Ac C10H18O2 170.130679 NA MeJP NA NA +MJ004169 2,10-Bornanediol C10H18O2 170.130679 NA MeJP NA NA +MJ004170 2,2,9-Trimethyl-1,6-dioxaspiro[4.4]non-3-ene, 3,4-Dihydro C10H18O2 170.130679 NA MeJP NA NA +MJ004171 2,5,5-Trimethyl-2,6-heptadiene-1,4-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004172 2,5-Bornanediol C10H18O2 170.130679 NA MeJP NA NA +MJ004173 2,5-Dimethyl-3-vinyl-5-hexene-2,4-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004174 2,5-Dimethyl-4-vinyl-5-hexene-2,3-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004175 2,6-Bornanediol C10H18O2 170.130679 NA MeJP NA NA +MJ004176 2,6-Dimethyl-1,7-octadiene-3,6-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004177 2,6-Dimethyl-2,6-octadiene-1,8-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004178 2,6-Dimethyl-2,7-octadiene-1,6-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004179 2,6-Dimethyl-3,7-octadiene-2,6-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004180 2,6-Dimethyl-5,7-octadiene-2,3-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004181 2,7-Dimethyl-1,6-dioxaspiro[4.5]decane C10H18O2 170.130679 NA MeJP NA NA +MJ004182 2,8-Bornanediol C10H18O2 170.130679 NA MeJP NA NA +MJ004183 2,9-Bornanediol C10H18O2 170.130679 NA MeJP NA NA +MJ004184 2-(4-Methyl-3-pentenyl)-2-butene-1,4-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004185 2-Decenoic acid C10H18O2 170.130679 NA MeJP NA NA +MJ004186 2-Ethyl-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane C10H18O2 170.130679 NA MeJP NA NA +MJ004187 2-Hexen-1-ol, Butanoyl C10H18O2 170.130679 NA MeJP NA NA +MJ004188 2-Methyl-6-methylene-7-octene-2,3-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004189 2-Octen-1-ol, Ac C10H18O2 170.130679 NA MeJP NA NA +MJ004190 3,7-Dimethyl-1,6-octadien-3-ol, 10-Hydroxy C10H18O2 170.130679 NA MeJP NA NA +MJ004191 3,7-Dimethyl-1,6-octadiene-3,4-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004192 3,7-Dimethyl-2,6-octadiene-1,4-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004193 3,7-Dimethyl-2,7-octadiene-1,6-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004194 3,7-Dimethyl-6-octenoic acid C10H18O2 170.130679 NA MeJP NA NA +MJ004195 3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol C10H18O2 170.130679 NA MeJP NA NA +MJ004196 3-Decenoic acid C10H18O2 170.130679 NA MeJP NA NA +MJ004197 3-Hexen-1-ol, 2-Methylpropanoyl C10H18O2 170.130679 NA MeJP NA NA +MJ004198 3-Hexen-1-ol, Butanoyl C10H18O2 170.130679 NA MeJP NA NA +MJ004199 3-Nonenoic acid, Me ester C10H18O2 170.130679 NA MeJP NA NA +MJ004200 4-Decenoic acid C10H18O2 170.130679 NA MeJP NA NA +MJ004201 4-Decyne-3,6-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004202 4-Hydroxy-2,6-dimethyl-7-octen-3-one C10H18O2 170.130679 NA MeJP NA NA +MJ004203 4-Octenoic acid, Et ester C10H18O2 170.130679 NA MeJP NA NA +MJ004204 5-Ethyl-5-hydroxy-6-methyl-3-hepten-2-one C10H18O2 170.130679 NA MeJP NA NA +MJ004205 5-Ethyl-6-methyl-3-hepten-2-one, 3,4-Epoxide C10H18O2 170.130679 NA MeJP NA NA +MJ004206 5-Hexyldihydro-2(3H)-furanone C10H18O2 170.130679 NA MeJP NA NA +MJ004207 5-Octen-1-ol, Ac C10H18O2 170.130679 NA MeJP NA NA +MJ004208 6-Hydroxy-2,6-dimethyl-7-octen-4-one C10H18O2 170.130679 NA MeJP NA NA +MJ004209 6-Methyl-2-vinyl-5-heptene-1,2-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004210 7-Decenoic acid C10H18O2 170.130679 NA MeJP NA NA +MJ004211 7-Methyl-3-methylene-6-octene-1,2-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004212 8-Decenoic acid C10H18O2 170.130679 NA MeJP NA NA +MJ004213 9,10-Cyclo-p-menthane-2,4-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004214 9,10-Pinanediol C10H18O2 170.130679 NA MeJP NA NA +MJ004215 9-Decenoic acid C10H18O2 170.130679 NA MeJP NA NA +MJ004216 9-Hydroxydecanoic acid, Lactone C10H18O2 170.130679 NA MeJP NA NA +MJ004217 ?-Acaridial; Dialcohol C10H18O2 170.130679 NA MeJP NA NA +MJ004218 Dehydroiridodiol C10H18O2 170.130679 NA MeJP NA NA +MJ004219 Dihydro-4-methyl-5-pentyl-2(3H)-furanone C10H18O2 170.130679 NA MeJP NA NA +MJ004220 Lilac alcohol C10H18O2 170.130679 NA MeJP NA NA +MJ004221 Linalyl oxide C10H18O2 170.130679 NA MeJP NA NA +MJ004222 Multistriatin C10H18O2 170.130679 NA MeJP NA NA +MJ004223 Neomatatabiol C10H18O2 170.130679 NA MeJP NA NA +MJ004224 Tetrahydro-3,5-dimethyl-6-propyl-2H-pyran-2-one C10H18O2 170.130679 NA MeJP NA NA +MJ004225 Tetrahydro-3-hydroxy-2,2,6-trimethyl-6-vinylpyran C10H18O2 170.130679 NA MeJP NA NA +MJ004226 Tetrahydro-6-isopropyl-3,5-dimethyl-2H-pyran-2-one C10H18O2 170.130679 NA MeJP NA NA +MJ004227 Tetrahydro-6-pentyl-2H-pyran-2-one C10H18O2 170.130679 NA MeJP NA NA +MJ004228 p-Menth-1(7)-ene-2,3-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004229 p-Menth-1-ene-3,6-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004230 p-Menth-1-ene-5,6-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004231 p-Menth-1-ene-6,8-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004232 p-Menth-1-ene-8,9-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004233 p-Menth-2-ene-1,4-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004234 p-Menth-2-ene-1,7-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004235 p-Menth-3-ene-1,2-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004236 p-Menth-4-ene-1,2-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004237 p-Menth-5-ene-1,2-diol C10H18O2 170.130679 NA MeJP NA NA +MJ004238 p-Menth-8-ene-1,2-diol C10H18O2 170.130679 NA MeJP NA NA +HMDB04981 cis-4-Decenoic acid C10H18O2 170.13068 http://www.hmdb.ca/metabolites/HMDB04981 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04980 trans-4-Decenoic acid C10H18O2 170.13068 http://www.hmdb.ca/metabolites/HMDB04980 HMDB NA NA +HMDB04981 cis-4-Decenoic acid C10H18O2 170.13068 http://www.hmdb.ca/metabolites/HMDB04981 HMDB NA NA +MetaCyc01362 (E)-3,7-dimethylocta-1,6-dien-3,8-diol [] C10H18O2 170.13068 NA metacyc NA NA +MetaCyc01363 6-endo-hydroxycineole [] C10H18O2 170.13068 NA metacyc NA NA +HMDB04981 cis-4-Decenoic acid C10H18O2 170.13068 http://www.hmdb.ca/metabolites/HMDB04981 PFEM_hmdb_metabocards_blood NA blood +HMDB04980 trans-4-Decenoic acid C10H18O2 170.13068 HMDB04980 PFEM_hmdb_metabocards_official NA NA +HMDB04981 cis-4-Decenoic acid C10H18O2 170.13068 HMDB04981 PFEM_hmdb_metabocards_official NA NA +C03092 6-endo-Hydroxycineole C10H18O2 170.1307 NA KEGG NA NA +C04433 (E)-3,7-Dimethylocta-1,6-diene-3,8-diol C10H18O2 170.1307 NA KEGG NA NA +C07276 Limonene-1,2-diol C10H18O2 170.1307 NA KEGG NA NA +C09790 (+)-Neomatatabiol C10H18O2 170.1307 NA KEGG NA NA +C16462 Citronellate C10H18O2 170.1307 NA KEGG NA NA +C17621 10-Hydroxygeraniol C10H18O2 170.1307 NA KEGG NA NA +C18020 p-Menth-8-ene-1,2-diol C10H18O2 170.1307 NA KEGG NA NA +C18027 (4R,7S)-7-Isopropyl-4-methyloxepan-2-one C10H18O2 170.1307 NA KEGG NA NA +C18066 7-Isopropyl-4-methyloxepan-2-one C10H18O2 170.1307 NA KEGG NA NA +C18202 8-Methyl-6-nonenoic acid C10H18O2 170.1307 NA KEGG NA NA +MJ004239 10-Undecen-2-ol C11H22O 170.167065 NA MeJP NA NA +MJ004240 2-Undecanone C11H22O 170.167065 NA MeJP NA NA +MJ004241 3,3,7-Trimethyl-6-octen-1-ol C11H22O 170.167065 NA MeJP NA NA +MJ004242 3-Methyl-3-decen-1-ol C11H22O 170.167065 NA MeJP NA NA +MJ004243 3-Methyl-4-decen-1-ol C11H22O 170.167065 NA MeJP NA NA +MJ004244 3-Undecanone C11H22O 170.167065 NA MeJP NA NA +MJ004245 6-Undecen-2-ol C11H22O 170.167065 NA MeJP NA NA +MJ004246 9-Undecen-1-ol C11H22O 170.167065 NA MeJP NA NA +MJ004247 Undecanal C11H22O 170.167065 NA MeJP NA NA +MetaCyc01364 2-undecanone [] C11H22O1 170.167065 112-12-9 metacyc NA NA +C01875 2-Undecanone C11H22O 170.1671 NA KEGG NA NA +MJ004248 Dodecane C12H26 170.20345 NA MeJP NA NA +C08374 Dodecane C12H26 170.2035 NA KEGG NA NA +2642 synthetic fr, of human beta-CN, ACE inhibitor ILP 170.61 MH2+ Inhouse_peptide NA peptide +3167 diprotin A IPI 170.61 MH2+ Inhouse_peptide NA peptide +3713 ACE inhibitor from alpha-zein LLP 170.61 MH2+ Inhouse_peptide NA peptide +C11040 2,6-Dichlorobenzonitrile C7H3Cl2N 170.9643 NA KEGG NA NA +C13058 Calcium L-aspartate C4H5NO4 170.9844 NA KEGG NA NA +C13059 Transferred to D01599 C4H5NO4 170.9844 NA KEGG NA NA +C13060 Transferred to D01600 C4H5NO4 170.9844 NA KEGG NA NA +MJ004249 2-Amino-4,4-dichlorobutanoic acid C4H7Cl2NO2 170.985383 NA MeJP NA NA +HMDB02238 L-Homocysteine sulfonic acid C3H9NO3S2 171.00238 NA HMDB2010 NA NA +HMDB02238 L-Homocysteine sulfonic acid C3H9NO3S2 171.0024 http://www.hmdb.ca/metabolites/HMDB02238 HMDB NA NA +HMDB02238 L-Homocysteine sulfonic acid C3H9NO3S2 171.0024 HMDB02238 PFEM_hmdb_metabocards_official NA NA +MJ004250 2-Amino-3-chlorobenzoic acid C7H6ClNO2 171.008706 NA MeJP NA NA +MJ004251 Diethyldithiocarbamic acid; Na salt C5H10NNaS2 171.015235 NA MeJP NA NA +MJ004252 2,2'-Dichloro-N-methyldiethylamine; N-Oxide C5H11Cl2NO 171.021769 NA MeJP NA NA +MJ004253 4(5)-Nitro-2-imidazolecarboxylic acid; 3H-form, N-Me C5H5N3O4 171.028005 NA MeJP NA NA +CJpos0397 Kynurenic acid [(M+H)-(H2O)]+ C10H6NO2 171.031475 C18rt(min)=5.39 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0397 Kynurenic acid [(M+H)-(H2O)]+ C10H6NO2 171.031475 C18rt(min)=5.39 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +JH113 Kynurenic acid [M+H-H20]+ NA 171.0315 12.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH113 Kynurenic acid [M+H-H20]+ NA 171.0315 12.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH113 Kynurenic acid [M+H-H20]+ NA 171.0315 12.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH113 Kynurenic acid [M+H-H20]+ NA 171.0315 12.5 Inhousejuil11 NA NA +MJ004254 2-Propyl-5-thiazolecarboxylic acid C7H9NO2S 171.035399 NA MeJP NA NA +C14412 4-Toluenesulfonamide C7H9NO2S 171.0354 NA KEGG NA NA +JH109 N-acetyl-L-glutamine [M+H-NH3]+ NA 171.0515 1.64 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH109 N-acetyl-L-glutamine [M+H-NH3]+ NA 171.0515 1.64 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH109 N-acetyl-L-glutamine [M+H-NH3]+ NA 171.0515 1.64 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH109 N-acetyl-L-glutamine [M+H-NH3]+ NA 171.0515 1.64 Inhousejuil11 NA NA +MJ004255 2-Hydroxymethylclavam; Formyl C7H9NO4 171.053157 NA MeJP NA NA +MJ004256 4,5-Dihydroxy-1H-pyrrole-3-carboxylic acid; 4-Me ether, Me ester C7H9NO4 171.053157 NA MeJP NA NA +MJ004257 4-(Hydroxymethyl)-6-methyl-2,3,5-pyridinetriol C7H9NO4 171.053157 NA MeJP NA NA +MJ004258 Hermidin C7H9NO4 171.053157 NA MeJP NA NA +MJ004259 2,3,4,5-Tetrahydrodipicolinate C7H9NO4 171.053157 NA MeJP NA NA +MetaCyc01365 tetrahydrodipicolinate [2,3,4,5-Tetrahydrodipicolinate;L-2,3,4,5-tetrahydrodipicolinate;Δ1-piperideine-2,6-dicarboxylate;] C7H9N1O4 171.053158 52-52-8 metacyc NA NA +HMDB12289 Tetrahydrodipicolinate C7H9NO4 171.053162 NA HMDB2010 NA NA +C03972 2,3,4,5-Tetrahydrodipicolinate C7H9NO4 171.0532 NA KEGG NA NA +C03974 2-Acyl-sn-glycerol 3-phosphate C4H8O7PR 171.0532 NA KEGG NA NA +C12108 AminoDHS C7H9NO4 171.0532 NA KEGG NA NA +C17356 2-Formyloxymethylclavam C7H9NO4 171.0532 NA KEGG NA NA +CJpos0398 Dihydroxyphenylethyleneglycol isomer [(M+H)]+ (13C) C713CH11O4 171.060675 C18rt(min)=5.3 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0398 Dihydroxyphenylethyleneglycol isomer [(M+H)]+ (13C) C713CH11O4 171.060675 C18rt(min)=5.3 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ004260 2-Amino-3-hydroxy-3-(4-imidazolyl)propanoic acid C6H9N3O3 171.064391 NA MeJP NA NA +MJ004261 2-Amino-6-diazo-5-oxohexanoic acid C6H9N3O3 171.064391 NA MeJP NA NA +MJ004262 Metronidazole C6H9N3O3 171.064391 NA MeJP NA NA +MetaCyc01366 6-diazo-5-oxo-L-norleucine [diazooxonorleucine;6-diazo-5-oxo-L-norleucine;] C6H9N3O3 171.064391 764-17-0 metacyc NA NA +3544 ACE inhibitor LNP 171.08945 MH2+ Inhouse_peptide NA peptide +C10284 Crotanecine C8H13NO3 171.0895 NA KEGG NA NA +C11837 N-Butyryl-L-homoserine lactone C8H13NO3 171.0895 NA KEGG NA NA +MJ004263 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, N-Oxide C8H13NO3 171.089543 NA MeJP NA NA +MJ004264 2-Amino-4-hydroxy-3-methylpentanoic acid, ?-Lactone, N-Ac C8H13NO3 171.089543 NA MeJP NA NA +MJ004265 Crotanecine C8H13NO3 171.089543 NA MeJP NA NA +MJ004266 Diethadione C8H13NO3 171.089543 NA MeJP NA NA +MJ004267 Fumaric acid; 2-Methylpropylamide C8H13NO3 171.089543 NA MeJP NA NA +MJ004268 N-(Tetrahydro-2-oxo-3-furanyl)butanamide C8H13NO3 171.089543 NA MeJP NA NA +MJ004269 2-Propylquinoline C12H13N 171.104799 NA MeJP NA NA +MJ004270 Rasagiline C12H13N 171.104799 NA MeJP NA NA +3975 ACE inhibitor VPK 171.107 MH2+ Inhouse_peptide NA peptide +MJ004271 Moroxydine C6H13N5O 171.11201 NA MeJP NA NA +MJ004272 1-(Aminomethyl)cyclohexaneacetic acid C9H17NO2 171.125928 NA MeJP NA NA +MJ004273 4-Hydroxy-2-methyl-6-propylpiperidine, 2'-Oxo C9H17NO2 171.125928 NA MeJP NA NA +MJ004274 Stachydrine, Et ester C9H18NO2(+) 171.125928 NA MeJP NA NA +HMDB05015 Gabapentin C9H17NO2 171.12593 http://www.hmdb.ca/metabolites/HMDB05015 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05015 Gabapentin C9H17NO2 171.12593 http://www.hmdb.ca/metabolites/HMDB05015 HMDB NA NA +HMDB05015 Gabapentin C9H17NO2 171.12593 http://www.hmdb.ca/metabolites/HMDB05015 PFEM_hmdb_metabocards_blood NA blood +HMDB05015 Gabapentin C9H17NO2 171.12593 HMDB05015 PFEM_hmdb_metabocards_official NA NA +HMDB05015 Gabapentin C9H17NO2 171.125931 NA HMDB2010 NA NA +MJ004275 1-(3-Methylbutyl)-3-pyrrolidinemethanol C10H21NO 171.162314 NA MeJP NA NA +MJ004276 2-(2-Hydroxybutyl)piperidine, N-Me C10H21NO 171.162314 NA MeJP NA NA +MJ004277 2-Methyl-4-(3-methyl-1-pyrrolidinyl)-1-butanol C10H21NO 171.162314 NA MeJP NA NA +MJ004278 6-Pentyl-3-piperidinol C10H21NO 171.162314 NA MeJP NA NA +MJ004279 Halosaline C10H21NO 171.162314 NA MeJP NA NA +MJ004280 (1,1,3,3-Tetramethylbutyl)guanidine C9H21N3 171.173547 NA MeJP NA NA +MJ004281 6-Methyl-2-heptylamine, N-Isopropyl C11H25N 171.198699 NA MeJP NA NA +7542 ACE inhibitor DLP 171.58145 MH2+ Inhouse_peptide NA peptide +3421 ACE inhibitor LVL 171.618 MH2+ Inhouse_peptide NA peptide +HMDB02250 Dodecanoylcarnitine C19H37NO4 171.6361235 MH2+ Inhouse_peptide NA peptide +MJ004282 Dibromomethane CH2Br2 171.852325 NA MeJP NA NA +MJ004283 2-Iodoethanol C2H5IO 171.938508 NA MeJP NA NA +C14453 4-Bromophenol C6H5BrO 171.9524 NA KEGG NA NA +C14839 Bromobenzene-3,4-oxide C6H5BrO 171.9524 NA KEGG NA NA +C14840 Bromobenzene-2,3-oxide C6H5BrO 171.9524 NA KEGG NA NA +C14841 2-Bromophenol C6H5BrO 171.9524 NA KEGG NA NA +MJ004284 3-Chloro-4-hydroxybenzoic acid C7H5ClO3 171.992721 NA MeJP NA NA +MJ004285 3,5-Dihydroxy-4-oxo-4H-pyran-2-carboxylic acid C6H4O6 172.000787 NA MeJP NA NA +MJ004286 Tetrahydroxy-1,4-benzoquinone C6H4O6 172.000787 NA MeJP NA NA +MJ004287 2,2-Bis(chloromethyl)-1,3-propanediol C5H10Cl2O2 172.005784 NA MeJP NA NA +C06011 Benzenamine sulfate C6H6NO3S 172.0068 NA KEGG NA NA +C06012 Cytochrome c3 C6H6NO3S 172.0068 NA KEGG NA NA +C06014 EF-Ts C6H6NO3S 172.0068 NA KEGG NA NA +C06016 Pentosan C6H6NO3S 172.0068 NA KEGG NA NA +MetaCyc01367 benzenamine sulfate [] C6H6N1O3S1 172.006839 NA metacyc NA NA +HMDB00126 Glyceryl phosphate C3H9O6P 172.01367 http://www.hmdb.ca/metabolites/HMDB00126 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00126 Glyceryl phosphate C3H9O6P 172.01367 http://www.hmdb.ca/metabolites/HMDB00126 HMDB NA NA +HMDB02520 beta-Glycerophosphoric acid C3H9O6P 172.01367 http://www.hmdb.ca/metabolites/HMDB02520 HMDB NA NA +HMDB02722 Phosphatidyl glycerol C3H9O6P 172.01367 http://www.hmdb.ca/metabolites/HMDB02722 HMDB NA NA +HMDB00126 Glyceryl phosphate C3H9O6P 172.01367 http://www.hmdb.ca/metabolites/HMDB00126 PFEM_hmdb_metabocards_blood NA blood +HMDB00126 Glyceryl phosphate C3H9O6P 172.01367 HMDB00126 PFEM_hmdb_metabocards_official NA NA +HMDB02520 beta-Glycerophosphoric acid C3H9O6P 172.01367 HMDB02520 PFEM_hmdb_metabocards_official NA NA +HMDB02722 Phosphatidyl glycerol C3H9O6P 172.01367 HMDB02722 PFEM_hmdb_metabocards_official NA NA +HMDB00126 Glycerol 3-phosphate C3H9O6P 172.013672 NA HMDB2010 NA NA +HMDB02520 Beta-Glycerophosphoric acid C3H9O6P 172.013672 NA HMDB2010 NA NA +MJ004288 sn-Glycerol 3-phosphate C3H9O6P 172.013674 NA MeJP NA NA +MJ004289 Glycerol 2-monophosphate C3H9O6P 172.013674 NA MeJP NA NA +MetaCyc01368 sn-glyceryl-phosphate [] C3H9O6P1 172.013675 NA metacyc NA NA +MetaCyc01369 sn-glycerol-1-phosphate [] C3H9O6P1 172.013675 NA metacyc NA NA +MetaCyc01370 sn-glycerol-3-phosphate [α-glycerophosphoric acid;glycerol-3-P;glycerol-1-phosphate;α-glycerophosphate;D-glycerol-3-phosphate;rac-Glycerol 3-phosphate;glycerol-3-phosphate;] C3H9O6P1 172.013675 57-03-4 metacyc NA NA +MetaCyc01371 glycerol 2-phosphate [] C3H9O6P1 172.013675 3249-68-1 metacyc NA NA +MetaCyc01372 2-glycerophosphate [] C3H9O6P1 172.013675 NA metacyc NA NA +C00093 sn-Glycerol 3-phosphate C3H9O6P 172.0137 NA KEGG NA NA +C00623 Glycerol 1-phosphate C3H9O6P 172.0137 NA KEGG NA NA +C02979 Glycerol 2-phosphate C3H9O6P 172.0137 NA KEGG NA NA +C03189 DL-Glycerol 1-phosphate C3H9O6P 172.0137 NA KEGG NA NA +CJneg0225 Glycerol Phosphate [(M-H)]- C3H8O6P 172.014225 C18rt(min)=0.9 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0225 Glycerol Phosphate [(M-H)]- C3H8O6P 172.014225 C18rt(min)=0.9 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C06677 Toluene-4-sulfonate C7H8O3S 172.0194 NA KEGG NA NA +HMDB11635 p-Cresol sulfate C7H8O3S 172.019409 NA HMDB2010 NA NA +MJ004290 Toluene-4-sulfonate C7H8O3S 172.019414 NA MeJP NA NA +MetaCyc01373 4-toluenesulfonate [p-toluenesulfonate;4-toluenesulphonate;] C7H8O3S1 172.019415 104-15-4 metacyc NA NA +MJ004291 2-(3-Chloro-4-hydroxyphenyl)ethanol C8H9ClO2 172.029107 NA MeJP NA NA +MJ004292 2-Chloro-5-methyl-1,3-benzenediol; 1-Me ether C8H9ClO2 172.029107 NA MeJP NA NA +MJ004293 3-Chloro-4-hydroxybenzyl alcohol; 4-Me ether C8H9ClO2 172.029107 NA MeJP NA NA +C07458 Sulfanilamide C6H8N2O2S 172.0306 NA KEGG NA NA +MJ004294 3-Amino-3-(2-thiazolyl)propanoic acid C6H8N2O2S 172.030648 NA MeJP NA NA +MJ004295 4-Aminobenzenesulfonic acid; Amide C6H8N2O2S 172.030648 NA MeJP NA NA +CJpos0399 Pentose [(M+Na)]+ C5H10NaO5 172.034175 C18rt(min)=0.95 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0399 Pentose [(M+Na)]+ C5H10NaO5 172.034175 C18rt(min)=0.95 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ004296 4,5-Dihydroxy-3-oxo-1-cyclohexenecarboxylic acid C7H8O5 172.037173 NA MeJP NA NA +MJ004297 2-Hydroxy-5-methyl-cis,cis-muconate C7H8O5 172.037173 NA MeJP NA NA +MJ004298 2-Hydroxyhepta-2,4-dienedioate C7H8O5 172.037173 NA MeJP NA NA +MJ004299 2-Hydroxy-5-methyl-cis-muconate C7H8O5 172.037173 NA MeJP NA NA +MJ004300 2-Oxohept-3-enedioate C7H8O5 172.037173 NA MeJP NA NA +MJ004301 3-Dehydroshikimate C7H8O5 172.037173 NA MeJP NA NA +MetaCyc01374 2,4,6-trioxoheptanoate [] C7H8O5 172.037173 NA metacyc NA NA +MetaCyc01375 3-dehydro-shikimate [3-dehydroshikimic acid;5-dehydroshikimic acid;5-dehydroshikimate;] C7H8O5 172.037173 2922-42-1 metacyc NA NA +MetaCyc01376 2-hydroxyhepta-2,4-dienedioate [2-hydroxy-hept-2,4-diene-1,7-dioate;HHDD;2-hydroxyhepta-2,4-diene-1,7-dioate;] C7H8O5 172.037173 NA metacyc NA NA +MetaCyc01377 2-oxohept-3-enedioate [] C7H8O5 172.037173 NA metacyc NA NA +MetaCyc01378 2-oxo-hept-3-ene-1,7-dioate [OHED;] C7H8O5 172.037173 NA metacyc NA NA +C02637 3-Dehydroshikimate C7H8O5 172.0372 NA KEGG NA NA +C02652 5-Dehydroshikimate C7H8O5 172.0372 NA KEGG NA NA +C02654 5-Substituted dCMP C9H13N3O7PR 172.0372 NA KEGG NA NA +C03063 2-Oxohept-3-enedioate C7H8O5 172.0372 NA KEGG NA NA +C05600 2-Hydroxyhepta-2,4-dienedioate C7H8O5 172.0372 NA KEGG NA NA +C07478 2-Hydroxy-5-methyl-cis,cis-muconate C7H8O5 172.0372 NA KEGG NA NA +C07479 2-Oxo-5-methyl-cis-muconate C7H8O5 172.0372 NA KEGG NA NA +MJ004302 Clazamycin C7H9ClN2O 172.04034 NA MeJP NA NA +MJ004303 Pralidoxime(1+); Chloride C7H9ClN2O 172.04034 NA MeJP NA NA +C05565 Hydantoin-5-propionate C6H8N2O4 172.0484 NA KEGG NA NA +C13739 (R)-AMAA C6H8N2O4 172.0484 NA KEGG NA NA +HMDB01212 Hydantoin-5-propionic acid C6H8N2O4 172.048401 NA HMDB2010 NA NA +MJ004304 1-Amino-1,2,3-propanetricarboxylic acid, 1''-Nitrile C6H8N2O4 172.048406 NA MeJP NA NA +MJ004305 ?-Amino-2,3-dihydro-3-oxo-5-isoxazolepropanoic acid C6H8N2O4 172.048406 NA MeJP NA NA +MJ004306 Antibiotic TAN 950B C6H8N2O4 172.048406 NA MeJP NA NA +MJ004307 ?-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid C6H8N2O4 172.048406 NA MeJP NA NA +MJ004308 ?-Amino-5-oxo-2(5H)-isoxazolepropanoic acid C6H8N2O4 172.048406 NA MeJP NA NA +MJ004309 Hydantoin-5-propionate C6H8N2O4 172.048406 NA MeJP NA NA +MetaCyc01379 hydantoin propionate [] C6H8N2O4 172.048407 NA metacyc NA NA +MetaCyc01380 hydantoin-5-propionate [] C6H8N2O4 172.048407 NA metacyc NA NA +HMDB01212 Hydantoin-5-propionic acid C6H8N2O4 172.04842 http://www.hmdb.ca/metabolites/HMDB01212 HMDB NA NA +HMDB01212 Hydantoin-5-propionic acid C6H8N2O4 172.04842 HMDB01212 PFEM_hmdb_metabocards_official NA NA +EUR201 menaquinone-n C11H8O2 172.0524 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR201 menaquinone-n C11H8O2 172.0524 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR201 menaquinone-n C11H8O2 172.0524 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR201 menaquinone-n C11H8O2 172.0524 Wishlist Inhousejuil11 NA NA +C05377 Menadione C11H8O2 172.0524 NA KEGG NA NA +C08446 Dehydromatricaria ester C11H8O2 172.0524 NA KEGG NA NA +C08774 (Z)-2-Decene-4,6,8-triynoic acid methylester C11H8O2 172.0524 NA KEGG NA NA +C11427 1-Hydroxy-2-naphthaldehyde C11H8O2 172.0524 NA KEGG NA NA +C14091 1-Naphthoic acid C11H8O2 172.0524 NA KEGG NA NA +C14101 2-Naphthoic acid C11H8O2 172.0524 NA KEGG NA NA +HMDB01892 Menadione C11H8O2 172.052429 NA HMDB2010 NA NA +MJ004310 2,3-Methylenedioxynaphthalene C11H8O2 172.052429 NA MeJP NA NA +MJ004311 2-Decene-4,6,8-triynoic acid, Me ester C11H8O2 172.052429 NA MeJP NA NA +MJ004312 2-Methyl-1,4-naphthoquinone C11H8O2 172.052429 NA MeJP NA NA +MJ004313 3,9,10-Undecatriene-5,7-diynoic acid C11H8O2 172.052429 NA MeJP NA NA +MJ004314 3-Undecene-5,7,10-triynoic acid C11H8O2 172.052429 NA MeJP NA NA +MJ004315 5-Methyl-1,4-naphthoquinone C11H8O2 172.052429 NA MeJP NA NA +MJ004316 6-Methyl-1,4-naphthoquinone C11H8O2 172.052429 NA MeJP NA NA +MJ004317 6-Phenyl-2H-pyran-2-one C11H8O2 172.052429 NA MeJP NA NA +MJ004318 Nemotin C11H8O2 172.052429 NA MeJP NA NA +HMDB01892 Menadione C11H8O2 172.05243 http://www.hmdb.ca/metabolites/HMDB01892 PFEM_hmdb_metabocards_urine NA urine +EUR201 menaquinone-n C11H8O2 172.05243 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR201 menaquinone-n C11H8O2 172.05243 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01892 Menadione C11H8O2 172.05243 http://www.hmdb.ca/metabolites/HMDB01892 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR201 menaquinone-n C11H8O2 172.05243 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01892 Menadione C11H8O2 172.05243 http://www.hmdb.ca/metabolites/HMDB01892 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR201 menaquinone-n C11H8O2 172.05243 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01892 Menadione C11H8O2 172.05243 http://www.hmdb.ca/metabolites/HMDB01892 HMDB NA NA +EUR201 menaquinone-n C11H8O2 172.05243 Wishlist HMDB NA NA +EUR201 menaquinone-n C11H8O2 172.05243 Wishlist Inhouse_PFEM NA NA +MetaCyc01381 menadione [2-methylnaphthoquinone;1,4-naphthalenedione, 2-methyl-;vitamin K3;1,4-naphthoquinone, 2-methyl-;2-methyl-1,4-naphthalenedione;] C11H8O2 172.05243 57414-02-5 metacyc NA NA +MetaCyc01382 1-naphthoate [1-naphthoic acid;] C11H8O2 172.05243 NA metacyc NA NA +EUR201 menaquinone-n C11H8O2 172.05243 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR201 menaquinone-n C11H8O2 172.05243 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB01892 Menadione C11H8O2 172.05243 HMDB01892 PFEM_hmdb_metabocards_official NA NA +MJ004319 4-Hydroxy-1H-indole-3-acetic acid; Nitrile C10H8N2O 172.063662 NA MeJP NA NA +MJ004320 4-Quinolinecarboxaldehyde; Oxime C10H8N2O 172.063662 NA MeJP NA NA +CJpos0400 Butyrylcarnitine [(M+H)-(NC3H9)]+ C8H13N0O4 172.072975 C18rt(min)=4.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0401 Hydroxysuberic acid isomer [(M+H)-(H2O)]+ C8H13O4 172.072975 C18rt(min)=4.9 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0400 Butyrylcarnitine [(M+H)-(NC3H9)]+ C8H13N0O4 172.072975 C18rt(min)=4.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0401 Hydroxysuberic acid isomer [(M+H)-(H2O)]+ C8H13O4 172.072975 C18rt(min)=4.9 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +2753 peptide regulating the stomach mucosal membrane activity GP 172.073 antibacterial Inhouse_peptide NA peptide +2754 peptide regulating the stomach mucosal membrane activity PG 172.073 antibacterial Inhouse_peptide NA peptide +3169 dipeptidyl peptidase IV inhibitor GP 172.073 celiac toxic Inhouse_peptide NA peptide +3283 NA GP 172.073 celiac toxic Inhouse_peptide NA peptide +3285 NA PG 172.073 celiac toxic Inhouse_peptide NA peptide +3460 Prolyl endopeptidase inhibitor PG 172.073 ACE inhibitor Inhouse_peptide NA peptide +3461 Prolyl endopeptidase inhibitor GP 172.073 ACE inhibitor Inhouse_peptide NA peptide +7512 ACE inhibitor from Alaskan pollack skin GP 172.073 antioxidative Inhouse_peptide NA peptide +7625 ACE inhibitor PG 172.073 antioxidative Inhouse_peptide NA peptide +MJ004321 Dihydro-5-(1-hydroxy-2-butenyl)-2(3H)-furanone; 4?-Hydroxy C8H12O4 172.073558 NA MeJP NA NA +MJ004322 Garlicin C8H12O4 172.073558 NA MeJP NA NA +MJ004323 Hexahydro-3a,4-dihydroxy-6(2H)-benzofuranone C8H12O4 172.073558 NA MeJP NA NA +MJ004324 Penicillic acid; 5,6-Dihydro C8H12O4 172.073558 NA MeJP NA NA +HMDB00341 2-Octenedioic acid C8H12O4 172.07356 http://www.hmdb.ca/metabolites/HMDB00341 HMDB NA NA +HMDB04982 cis-4-Octenedioic acid C8H12O4 172.07356 http://www.hmdb.ca/metabolites/HMDB04982 HMDB NA NA +HMDB00341 2-Octenedioic acid C8H12O4 172.07356 HMDB00341 PFEM_hmdb_metabocards_official NA NA +HMDB04982 cis-4-Octenedioic acid C8H12O4 172.07356 HMDB04982 PFEM_hmdb_metabocards_official NA NA +HMDB00341 2-Octenedioic acid C8H12O4 172.073563 NA HMDB2010 NA NA +HMDB04982 cis-4-Octenedioic acid C8H12O4 172.073563 NA HMDB2010 NA NA +HMDB13312 trans-3-Octenedioic acid C8H12O4 172.073563 NA HMDB2010 NA NA +CJpos0402 Pro-Gly (prolylglycine) [(M+H)]+ C7H13N2O3 172.084275 C18rt(min)=0.98 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0403 Gly-pro (glycylproline) [(M+H)]+ C7H13N2O3 172.084275 C18rt(min)=1.02 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0402 Pro-Gly (prolylglycine) [(M+H)]+ C7H13N2O3 172.084275 C18rt(min)=0.98 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0403 Gly-pro (glycylproline) [(M+H)]+ C7H13N2O3 172.084275 C18rt(min)=1.02 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +HMDB00721 Glycylproline C7H12N2O3 172.08479 http://www.hmdb.ca/metabolites/HMDB00721 PFEM_hmdb_metabocards_urine NA urine +HMDB00721 Glycylproline C7H12N2O3 172.08479 http://www.hmdb.ca/metabolites/HMDB00721 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00721 Glycylproline C7H12N2O3 172.08479 http://www.hmdb.ca/metabolites/HMDB00721 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00721 Glycylproline C7H12N2O3 172.08479 http://www.hmdb.ca/metabolites/HMDB00721 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00721 Glycylproline C7H12N2O3 172.08479 http://www.hmdb.ca/metabolites/HMDB00721 HMDB NA NA +HMDB00721 Glycylproline C7H12N2O3 172.08479 NA ;SYN:N-epsilon-methyllysine; N(6)-Methyllysine; N(6)-methyl-L-lysine; Epsilon-n-methyllysine; (2S)-2-amino-6-(methylamino)hexanoic acid; N-methyl-lysine; N6-Methyl-L-lysine; (S)-2-amino-6-methylaminohexanoic acid; N(zeta)-methyllysine; Epsilon-methyllysine; (2S)-2-amino-6-(methylamino)hexanoate; (S)-2-amino-6-methylaminohexanoateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00721 Glycylproline C7H12N2O3 172.08479 http://www.hmdb.ca/metabolites/HMDB00721 PFEM_hmdb_metabocards_blood NA blood +HMDB00721 Glycylproline C7H12N2O3 172.08479 HMDB00721 PFEM_hmdb_metabocards_official NA NA +HMDB00721 Glycylproline C7H12N2O3 172.084793 NA HMDB2010 NA NA +HMDB11178 L-prolyl-L-glycine C7H12N2O3 172.084793 NA HMDB2010 NA NA +PJ000020 GP C7H12N2O3 172.0848 NA PeJP NA NA +C16928 Capillone C12H12O 172.0888 NA KEGG NA NA +MJ004325 3,5,7-Dodecatriene-9,11-diyn-1-ol C12H12O 172.088815 NA MeJP NA NA +MJ004326 3,7-Dimethyl-1H-indene-5-carboxaldehyde C12H12O 172.088815 NA MeJP NA NA +MJ004327 4-Dodecene-6,8,10-triyn-3-ol C12H12O 172.088815 NA MeJP NA NA +MJ004328 6-Phenyl-3,5-hexadien-2-one C12H12O 172.088815 NA MeJP NA NA +MJ004329 Palutropone C12H12O 172.088815 NA MeJP NA NA +MJ004330 4-Hydroxyarginine, Lactone C6H12N4O2 172.096025 NA MeJP NA NA +MJ004331 Capreomycidine C6H12N4O2 172.096025 NA MeJP NA NA +MJ004332 Carnosadine C6H12N4O2 172.096025 NA MeJP NA NA +MJ004333 Enduracididine C6H12N4O2 172.096025 NA MeJP NA NA +3760 NA KPT 172.0965 MH2+ Inhouse_peptide NA peptide +C10656 Deoxypeganine C11H12N2 172.1 NA KEGG NA NA +MJ004334 1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazoline C11H12N2 172.100048 NA MeJP NA NA +MJ004335 2-Ethyl-4-methylquinazoline C11H12N2 172.100048 NA MeJP NA NA +MJ004336 2-Chloro-1,7,7-trimethylbicyclo[2.2.1]heptane C10H17Cl 172.101878 NA MeJP NA NA +C16322 9-Oxononanoic acid C9H16O3 172.1099 NA KEGG NA NA +MJ004337 1,7-Dioxaspiro[5.5]undecan-4-ol C9H16O3 172.109944 NA MeJP NA NA +MJ004338 1-(Hydroxymethyl)cyclohexaneacetic acid C9H16O3 172.109944 NA MeJP NA NA +MJ004339 3-Hydroxy-2-methylenebutanoic acid, 2-Methylpropyl ester C9H16O3 172.109944 NA MeJP NA NA +MJ004340 3-Hydroxy-2-methylenebutanoic acid, Butyl ester C9H16O3 172.109944 NA MeJP NA NA +MJ004341 4-(Hydroxymethyl)-4,6-octadiene-2,3-diol C9H16O3 172.109944 NA MeJP NA NA +MJ004342 6-Ethyltetrahydro-4-hydroxy-3,5-dimethyl-2H-pyran-2-one C9H16O3 172.109944 NA MeJP NA NA +MJ004343 Brevicomin, 2R-Hydroxy C9H16O3 172.109944 NA MeJP NA NA +MJ004344 Cerberidol C9H16O3 172.109944 NA MeJP NA NA +MJ004345 Decarestrictine L C9H16O3 172.109944 NA MeJP NA NA +MJ004346 Dihydro-4-hydroxy-5-pentyl-2(3H)-furanone C9H16O3 172.109944 NA MeJP NA NA +MJ004347 Eucommiol; 6-Deoxy C9H16O3 172.109944 NA MeJP NA NA +MJ004348 Tetrahydro-4-hydroxy-6-isopropyl-5-methyl-2H-pyran-2-one C9H16O3 172.109944 NA MeJP NA NA +MJ004349 Tetrahydro-4-hydroxy-6-methyl-2-(2-oxopropyl)-2H-pyran C9H16O3 172.109944 NA MeJP NA NA +8105 peptide derived from dried bonito VKV 172.115 MH2+ Inhouse_peptide NA peptide +MJ004350 1,2-Dihydro-1,1,6-trimethylnaphthalene C13H16 172.1252 NA MeJP NA NA +MJ004351 1,4-Tridecadiene-7,9-diyne C13H16 172.1252 NA MeJP NA NA +C02131 Acetylagmatine C7H16N4O 172.1324 NA KEGG NA NA +C03047 1,4-Diguanidinobutane C6H16N6 172.1436 NA KEGG NA NA +MJ004352 1,4-Diguanidinobutane C6H16N6 172.143644 NA MeJP NA NA +MetaCyc01383 1,4-diguanidinobutane [] C6H16N6 172.143645 NA metacyc NA NA +C01571 Decanoic acid C10H20O2 172.1463 NA KEGG NA NA +C02904 p-Menthane-3,8-diol C10H20O2 172.1463 NA KEGG NA NA +C02905 tRNA(Asp)-queuosine C27H39N5O19P2R2 172.1463 NA KEGG NA NA +C12289 Isoamyl isovalerate C10H20O2 172.1463 NA KEGG NA NA +C12292 Ethyl octanoate C10H20O2 172.1463 NA KEGG NA NA +MJ004353 1-(1-Ethoxyethoxy)-3-hexene C10H20O2 172.146329 NA MeJP NA NA +MJ004354 1-Hexanol; Butanoyl C10H20O2 172.146329 NA MeJP NA NA +MJ004355 1-Octanol; Ac C10H20O2 172.146329 NA MeJP NA NA +MJ004356 2,6-Dimethyl-3,7-octadiene-2,6-diol; 3,4-Dihydro C10H20O2 172.146329 NA MeJP NA NA +MJ004357 2,6-Dimethyloctanoic acid C10H20O2 172.146329 NA MeJP NA NA +MJ004358 3,7-Dimethyl-2-octene-1,8-diol C10H20O2 172.146329 NA MeJP NA NA +MJ004359 3-Isopropyl-2-heptene-1,6-diol C10H20O2 172.146329 NA MeJP NA NA +MJ004360 3-Methylbutanoic acid; 3-Methylbutyl ester C10H20O2 172.146329 NA MeJP NA NA +MJ004361 4,5-Dimethyloctanoic acid C10H20O2 172.146329 NA MeJP NA NA +MJ004362 4,6-Dimethyloctanoic acid C10H20O2 172.146329 NA MeJP NA NA +MJ004363 7-Hydroxy-3,3-dimethyl-2-octanone C10H20O2 172.146329 NA MeJP NA NA +MJ004364 Decanoic acid C10H20O2 172.146329 NA MeJP NA NA +MJ004365 Hexanoic acid; Butyl ester C10H20O2 172.146329 NA MeJP NA NA +MJ004366 Nonanoic acid; Me ester C10H20O2 172.146329 NA MeJP NA NA +MJ004367 Octanoic acid; Et ester C10H20O2 172.146329 NA MeJP NA NA +MJ004368 p-Menthane-1,2-diol C10H20O2 172.146329 NA MeJP NA NA +MJ004369 p-Menthane-1,3-diol C10H20O2 172.146329 NA MeJP NA NA +MJ004370 p-Menthane-1,4-diol C10H20O2 172.146329 NA MeJP NA NA +MJ004371 p-Menthane-1,8-diol C10H20O2 172.146329 NA MeJP NA NA +MJ004372 p-Menthane-2,3-diol C10H20O2 172.146329 NA MeJP NA NA +MJ004373 p-Menthane-2,5-diol C10H20O2 172.146329 NA MeJP NA NA +MJ004374 p-Menthane-3,8-diol C10H20O2 172.146329 NA MeJP NA NA +HMDB00511 Capric acid C10H20O2 172.14633 http://www.hmdb.ca/metabolites/HMDB00511 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00511 Capric acid C10H20O2 172.14633 http://www.hmdb.ca/metabolites/HMDB00511 HMDB NA NA +MetaCyc01384 n-decanoate [Decanoate (n-C10:0);decanoic acid;caprate;n-capric acid;caprinic acid;caprinate;] C10H20O2 172.14633 1002-62-6 metacyc NA NA +HMDB00511 Capric acid C10H20O2 172.14633 http://www.hmdb.ca/metabolites/HMDB00511 PFEM_hmdb_metabocards_blood NA blood +HMDB00511 Capric acid C10H20O2 172.14633 HMDB00511 PFEM_hmdb_metabocards_official NA NA +HMDB00511 Capric acid C10H20O2 172.146332 NA HMDB2010 NA NA +MJ004375 1-Undecanol C11H24O 172.182715 NA MeJP NA NA +MJ004376 2-Undecanol C11H24O 172.182715 NA MeJP NA NA +2617 synthetic fr, of human beta-CN (99-101) ACE inhibitor VMP 172.5802 MH2+ Inhouse_peptide NA peptide +3379 ACE inhibitor AKK 172.6125 MH2+ Inhouse_peptide NA peptide +MJ004377 2-Chloro-4-nitrophenol C6H4ClNO3 172.98797 NA MeJP NA NA +MJ004378 2-Amino-5-nitrothiazoleyl C4H3N3O3S 172.989511 NA MeJP NA NA +MJ004379 4-Aminobenzenesulfonate C6H7NO3S 173.014663 NA MeJP NA NA +MetaCyc01385 orthanilate [2-aminobenzenesulfonate;2-aminobenzenesulfonic acid;] C6H7N1O3S1 173.014664 NA metacyc NA NA +C06333 2-Aminobenzenesulfonate C6H7NO3S 173.0147 NA KEGG NA NA +C06334 3-Aminobenzenesulfonate C6H7NO3S 173.0147 NA KEGG NA NA +C06335 4-Aminobenzenesulfonate C6H7NO3S 173.0147 NA KEGG NA NA +CJneg0226 Trigonelline (and isomer) [(M+Cl)]- C7H7ClNO2 173.024925 C18rt(min)=0.93 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0226 Trigonelline (and isomer) [(M+Cl)]- C7H7ClNO2 173.024925 C18rt(min)=0.93 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +HMDB03470 N-Formyl-L-glutamate C6H7NO5 173.03242 http://www.hmdb.ca/metabolites/HMDB03470 HMDB NA NA +HMDB03470 N-Formyl-L-glutamate C6H7NO5 173.03242 HMDB03470 PFEM_hmdb_metabocards_official NA NA +MJ004380 Azaserine C5H7N3O4 173.043655 NA MeJP NA NA +MetaCyc01386 L-azaserine [azaserine;] C5H7N3O4 173.043656 115-02-6 metacyc NA NA +C06556 Deisopropylatrazine C5H8ClN5 173.0468 NA KEGG NA NA +MetaCyc01387 deisopropylatrazine [CEAT;2-chloro-4-ethylamino-6-amino-s-triazine;deethylsimazine;] C5H8N5CL1 173.046823 NA metacyc NA NA +MJ004381 4-Quinolinecarboxylic acid C10H7NO2 173.047678 NA MeJP NA NA +MJ004382 6,7-Methylenedioxyisoquinoline C10H7NO2 173.047678 NA MeJP NA NA +MJ004383 7-Quinolinecarboxylic acid C10H7NO2 173.047678 NA MeJP NA NA +MJ004384 8-Hydroxy-4-quinolinecarboxaldehyde C10H7NO2 173.047678 NA MeJP NA NA +MetaCyc01388 quinoline-4-carboxylate [] C10H7N1O2 173.047678 486-74-8 metacyc NA NA +MetaCyc01389 quinaldate [] C10H7N1O2 173.047678 93-10-7 metacyc NA NA +MetaCyc01390 indole-3-glyoxal [3-indoleglyoxal;] C10H7N1O2 173.047678 NA metacyc NA NA +HMDB00842 Quinaldic acid C10H7NO2 173.04768 http://www.hmdb.ca/metabolites/HMDB00842 HMDB NA NA +HMDB00842 Quinaldic acid C10H7NO2 173.04768 HMDB00842 PFEM_hmdb_metabocards_official NA NA +HMDB00842 Quinaldic acid C10H7NO2 173.047684 NA HMDB2010 NA NA +C06325 2-Quinolinecarboxylic acid C10H7NO2 173.0477 NA KEGG NA NA +C06414 4-Quinolinecarboxylic acid C10H7NO2 173.0477 NA KEGG NA NA +C14040 1-Nitronaphthalene C10H7NO2 173.0477 NA KEGG NA NA +C14041 Transferred to D02258 C10H7NO2 173.0477 NA KEGG NA NA +C14042 Transferred to D02259 C10H7NO2 173.0477 NA KEGG NA NA +C01250 N-Acetyl-L-glutamate 5-semialdehyde C7H11NO4 173.0688 NA KEGG NA NA +C12121 5-Deoxy-5-aminoshikimic acid C7H11NO4 173.0688 NA KEGG NA NA +C17366 (2S,5S)-trans-Carboxymethylproline C7H11NO4 173.0688 NA KEGG NA NA +HMDB06488 N-Acetyl-L-glutamate 5-semialdehyde C7H11NO4 173.068802 NA HMDB2010 NA NA +MJ004385 6-Acetamido-2-oxohexanoate C7H11NO4 173.068807 NA MeJP NA NA +MJ004386 N-Acetyl-L-glutamate 5-semialdehyde C7H11NO4 173.068807 NA MeJP NA NA +MJ004387 2,6-Piperidinedicarboxylic acid C7H11NO4 173.068807 NA MeJP NA NA +MJ004388 2-Amino-3-heptenedioic acid C7H11NO4 173.068807 NA MeJP NA NA +MJ004389 2-Amino-4-ethylidenepentanedioic acid C7H11NO4 173.068807 NA MeJP NA NA +MJ004390 2-Amino-4-hydroxyheptanedioic acid; 7,4-Lactone C7H11NO4 173.068807 NA MeJP NA NA +MJ004391 3-Hydroxy-2,3-dimethyl-5-oxo-2-pyrrolidinecarboxylic acid C7H11NO4 173.068807 NA MeJP NA NA +MJ004392 4-Hydroxy-2-pyrrolidinecarboxylic acid, N-Ac C7H11NO4 173.068807 NA MeJP NA NA +MJ004393 ?-Amino-1,2-cyclopropanediacetic acid C7H11NO4 173.068807 NA MeJP NA NA +MetaCyc01391 d1-piperidine-dicarboxylate [d1-piperidine-2,6-dicarboxylate;dl-piperidine-2,6-dicarboxylate;] C7H11N1O4 173.068808 NA metacyc NA NA +MetaCyc01392 N-acetyl-L-glutamate 5-semialdehyde [N-acetylglutamate γ-semialdehyde;N-acetyl-L-glutamate-5-semialdehyde;N-acetyl-L-glutamate semialdehyde;N-acetylglutamate semialdehyde;2-acetamido-5-oxopentanoate;] C7H11N1O4 173.068808 NA metacyc NA NA +HMDB06488 N-Acetyl-L-glutamate 5-semialdehyde C7H11NO4 173.06882 http://www.hmdb.ca/metabolites/HMDB06488 HMDB NA NA +HMDB06488 N-Acetyl-L-glutamate 5-semialdehyde C7H11NO4 173.06882 HMDB06488 PFEM_hmdb_metabocards_official NA NA +3164 laminin-like peptide RGD 173.07445 MH2+ Inhouse_peptide NA peptide +C03771 5-Guanidino-2-oxopentanoate C6H11N3O3 173.08 NA KEGG NA NA +MJ004394 2-Oxoarginine C6H11N3O3 173.080041 NA MeJP NA NA +MJ004395 5-Guanidino-2-oxopentanoate C6H11N3O3 173.080041 NA MeJP NA NA +MJ004396 5-Guanidino-2-oxopentanoic acid C6H11N3O3 173.080041 NA MeJP NA NA +MetaCyc01393 2-ketoarginine [2-oxo-5-guanidinopentanoate;2-oxo-5-guanidino-pentanoate;5-guanidino-2-oxo-pentanoate;α-ketoarginine;2-oxoarginine;5-guanidino-2-oxopentanoate;2-keto-5-guanidinovalerate;] C6H11N3O3 173.080041 NA metacyc NA NA +HMDB04225 2-Oxoarginine C6H11N3O3 173.080048 NA HMDB2010 NA NA +HMDB04225 2-Oxoarginine C6H11N3O3 173.08005 http://www.hmdb.ca/metabolites/HMDB04225 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04225 2-Oxoarginine C6H11N3O3 173.08005 http://www.hmdb.ca/metabolites/HMDB04225 HMDB NA NA +HMDB06815 2-Oxo-5-guanidinopentanoate C6H11N3O3 173.08005 http://www.hmdb.ca/metabolites/HMDB06815 HMDB NA NA +HMDB04225 2-Oxoarginine C6H11N3O3 173.08005 NA ;SYN:L-4-hydroxy-proline; L-4-Hydroxyproline; L-4-allo-hydroxy-Proline; 4-hydroxy-L-Proline; cis-4-hydroxy-L-Proline; cis-4-hydroxyproline;(2S)-4-hydroxypyrrolidine-2-carboxylic acid; (4S)-4-hydroxy-L-Proline; allo-4-Hydroxy-L-proline; allo-4-Hydroxyproline; allo-hydroxy-L-Proline; L-AllohydroxyprolineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB04225 2-Oxoarginine C6H11N3O3 173.08005 http://www.hmdb.ca/metabolites/HMDB04225 PFEM_hmdb_metabocards_blood NA blood +HMDB04225 2-Oxoarginine C6H11N3O3 173.08005 HMDB04225 PFEM_hmdb_metabocards_official NA NA +HMDB06815 2-Oxo-5-guanidinopentanoate C6H11N3O3 173.08005 HMDB06815 PFEM_hmdb_metabocards_official NA NA +MJ004397 2-Acetyl-3-methylindole C11H11NO 173.084063 NA MeJP NA NA +MJ004398 4-Amino-2-methyl-1-naphthol C11H11NO 173.084063 NA MeJP NA NA +MJ004399 4-Hydroxy-2,3-dimethylquinoline C11H11NO 173.084063 NA MeJP NA NA +MJ004400 4-Hydroxy-2-methylquinoline; NH-form, N-Me C11H11NO 173.084063 NA MeJP NA NA +MJ004401 4-Hydroxy-2-methylquinoline; OH-form, Me ether C11H11NO 173.084063 NA MeJP NA NA +MJ004402 6-Hydroxy-4,8-dimethylquinoline C11H11NO 173.084063 NA MeJP NA NA +MJ004403 6-Hydroxy-5,7-dimethylquinoline C11H11NO 173.084063 NA MeJP NA NA +MJ004404 7-Methyl-1H-indole-3-carboxaldehyde; N-Me C11H11NO 173.084063 NA MeJP NA NA +MJ004405 Louisianin C C11H11NO 173.084063 NA MeJP NA NA +MJ004406 4-Methoxy-1-methylquinolinium(1+) C11H12NO(+) 173.084064 NA MeJP NA NA +C12346 1,3-Dimethyl-8-isoquinolinol C11H11NO 173.0841 NA KEGG NA NA +8130 peptide derived from dried bonito EAK 173.0865 MH2+ Inhouse_peptide NA peptide +CJpos0404 Hexanoylglycine [(M+H)]+ C8H16NO3 173.104675 C18rt(min)=6.45 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0405 Isovalerylalanine isomer [(M+H)]+ C8H16NO3 173.104675 C18rt(min)=6.5 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0406 N-Acetylisoleucine [(M+H)]+ C8H16NO3 173.104675 C18rt(min)=6.08 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0407 N-Acetylleucine [(M+H)]+ C8H16NO3 173.104675 C18rt(min)=6.23 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0404 Hexanoylglycine [(M+H)]+ C8H16NO3 173.104675 C18rt(min)=6.45 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0405 Isovalerylalanine isomer [(M+H)]+ C8H16NO3 173.104675 C18rt(min)=6.5 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0406 N-Acetylisoleucine [(M+H)]+ C8H16NO3 173.104675 C18rt(min)=6.08 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0407 N-Acetylleucine [(M+H)]+ C8H16NO3 173.104675 C18rt(min)=6.23 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB00701 Hexanoylglycine C8H15NO3 173.10519 http://www.hmdb.ca/metabolites/HMDB00701 HMDB NA NA +HMDB00747 Isovalerylalanine C8H15NO3 173.10519 http://www.hmdb.ca/metabolites/HMDB00747 HMDB NA NA +HMDB02087 Isovalerylsarcosine C8H15NO3 173.10519 http://www.hmdb.ca/metabolites/HMDB02087 HMDB NA NA +HMDB00701 Hexanoylglycine C8H15NO3 173.10519 HMDB00701 PFEM_hmdb_metabocards_official NA NA +HMDB00747 Isovalerylalanine C8H15NO3 173.10519 HMDB00747 PFEM_hmdb_metabocards_official NA NA +HMDB02087 Isovalerylsarcosine C8H15NO3 173.10519 HMDB02087 PFEM_hmdb_metabocards_official NA NA +MJ004407 1,7-Dihydroxy-1-hydroxymethylpyrrolizidine C8H15NO3 173.105193 NA MeJP NA NA +MJ004408 2-Amino-3-methylpentanoic acid, N-Ac C8H15NO3 173.105193 NA MeJP NA NA +MJ004409 5,5-Dimethyl-2-morpholineacetic acid C8H15NO3 173.105193 NA MeJP NA NA +MJ004410 Castanospermine; 6-Epimer, 7-deoxy C8H15NO3 173.105193 NA MeJP NA NA +MJ004411 Leucine, N-Ac C8H15NO3 173.105193 NA MeJP NA NA +MJ004412 Swainsonine C8H15NO3 173.105193 NA MeJP NA NA +MetaCyc01394 N-acetyl-L-leucine [] C8H15N1O3 173.105193 1188-21-2 metacyc NA NA +HMDB00701 Hexanoylglycine C8H15NO3 173.105194 NA HMDB2010 NA NA +HMDB00747 Isovalerylalanine C8H15NO3 173.105194 NA HMDB2010 NA NA +HMDB02087 Isovalerylsarcosine C8H15NO3 173.105194 NA HMDB2010 NA NA +HMDB11756 N-Acetylleucine C8H15NO3 173.105194 NA HMDB2010 NA NA +C02710 N-Acetyl-L-leucine C8H15NO3 173.1052 NA KEGG NA NA +C10173 Swainsonine C8H15NO3 173.1052 NA KEGG NA NA +CJneg0227 Isovalerylalanine isomer [(M-H)]- C8H14NO3 173.105725 C18rt(min)=6.5 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0228 Hexanoylglycine [(M-H)]- C8H14NO3 173.105725 C18rt(min)=6.45 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0229 N-Acetylisoleucine [(M-H)]- C8H14NO3 173.105725 C18rt(min)=6.08 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0230 N-Acetylleucine [(M-H)]- C8H14NO3 173.105725 C18rt(min)=6.23 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0227 Isovalerylalanine isomer [(M-H)]- C8H14NO3 173.105725 C18rt(min)=6.5 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0228 Hexanoylglycine [(M-H)]- C8H14NO3 173.105725 C18rt(min)=6.45 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0229 N-Acetylisoleucine [(M-H)]- C8H14NO3 173.105725 C18rt(min)=6.08 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0230 N-Acetylleucine [(M-H)]- C8H14NO3 173.105725 C18rt(min)=6.23 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +JH153 Pantothenic acid [M+H-HCOOH]+ NA 173.1124 6.63 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH153 Pantothenic acid [M+H-HCOOH]+ NA 173.1124 6.63 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH153 Pantothenic acid [M+H-HCOOH]+ NA 173.1124 6.63 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH153 Pantothenic acid [M+H-HCOOH]+ NA 173.1124 6.63 Inhousejuil11 NA NA +C08288 L-Indospicine C7H15N3O2 173.1164 NA KEGG NA NA +MJ004413 Indospicine C7H15N3O2 173.116426 NA MeJP NA NA +MJ004414 N5-(1-Iminoethyl)ornithine C7H15N3O2 173.116426 NA MeJP NA NA +C04599 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine C12H15N 173.1204 NA KEGG NA NA +C15476 Norselegiline C12H15N 173.1204 NA KEGG NA NA +MJ004415 1,2,3,6-Tetrahydro-4-phenylpyridine; N-Me C12H15N 173.120449 NA MeJP NA NA +MJ004416 Bicifadine C12H15N 173.120449 NA MeJP NA NA +MetaCyc01395 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine [] C12H15N1 173.120449 28289-54-5 metacyc NA NA +MJ004417 3-Methyl-1-[3-(methylthio)propyl]pyrrolidine C9H19NS 173.12382 NA MeJP NA NA +MJ004418 2-Amino-3-methylpentanoic acid, N-Tri-Me, betaine C9H19NO2 173.141578 NA MeJP NA NA +MJ004419 2-Amino-7-methyloctanoic acid C9H19NO2 173.141578 NA MeJP NA NA +MJ004420 4-(Dimethylamino)-2,3,4,6-tetradeoxy-threo-hexose; ?-D-Pyranose-form, Me glycoside C9H19NO2 173.141578 NA MeJP NA NA +MJ004421 Leucine trimethylbetaine C9H19NO2 173.141578 NA MeJP NA NA +MJ004422 5-Aminopentanoic acid; N-Tri-Me, Me ester C9H20NO2(+) 173.141578 NA MeJP NA NA +3066 thymosin-like peptide EAE 173.5605 MH2+ Inhouse_peptide NA peptide +C13192 Potassium sulfate SO4 173.8791 NA KEGG NA NA +C13193 Transferred to D01727 SO4 173.8791 NA KEGG NA NA +MJ004423 Potassium sulfate (K2SO4) K2O4S 173.879142 NA MeJP NA NA +MJ004424 Dipotassium phosphate HK2O4P 173.888658 NA MeJP NA NA +C13197 Potassium dibasic phosphate HPO4 173.8887 NA KEGG NA NA +MJ004425 Bis(methylthio) selenide C2H6S2Se 173.907613 NA MeJP NA NA +HMDB00250 Pyrophosphate [P2O7]4- 173.911926 NA HMDB2010 NA NA +MJ004426 Ytterbium Yb 173.938858 NA MeJP NA NA +MJ004427 Aluminium chloride hydroxide (Al2Cl(OH)5) Al2ClH5O5 173.945627 NA MeJP NA NA +MJ004428 cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide C6H3ClO4 173.971986 NA MeJP NA NA +MJ004429 trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide C6H3ClO4 173.971986 NA MeJP NA NA +MetaCyc01396 trans-2-chloro-4-carboxymethylenebut-2-en-1,4-olide [] C6H3O4CL1 173.971986 NA metacyc NA NA +MetaCyc01397 cis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide [] C6H3O4CL1 173.971986 NA metacyc NA NA +MetaCyc01398 2-chloro-trans-dienelactone [2<l>trans</l>-2-Chlorodienelactone;] C6H3O4CL1 173.971986 NA metacyc NA NA +C04706 cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide C6H3ClO4 173.972 NA KEGG NA NA +C04729 trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide C6H3ClO4 173.972 NA KEGG NA NA +C04730 GM3 C42H73N2O21R 173.972 NA KEGG NA NA +MJ004430 Phenol; Hydrogen sulfate C6H6O4S 173.998679 NA MeJP NA NA +C00850 Aryl sulfate C6H6O4S 173.9987 NA KEGG NA NA +C00851 Chitodextrin C6H6O4S 173.9987 NA KEGG NA NA +C02180 Phenylsulfate C6H6O4S 173.9987 NA KEGG NA NA +C12849 p-Phenolsulfonic acid C6H6O4S 173.9987 NA KEGG NA NA +C12850 Transferred to D01404 C6H6O4S 173.9987 NA KEGG NA NA +C12851 Transferred to D01405 C6H6O4S 173.9987 NA KEGG NA NA +C12852 Transferred to D01406 C6H6O4S 173.9987 NA KEGG NA NA +CJneg0231 Phenylsulfate/Phenolsulfonic acid [(M-H)]- C6H5O4S 173.999225 C18rt(min)=5.33 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0231 Phenylsulfate/Phenolsulfonic acid [(M-H)]- C6H5O4S 173.999225 C18rt(min)=5.33 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ004431 3-(Bromomethyl)cyclohexene C7H11Br 174.004412 NA MeJP NA NA +MetaCyc01399 phenol-phosphate [] C6H7O4P1 174.008195 NA metacyc NA NA +C02734 Phenolic phosphate C6H7O4P 174.0082 NA KEGG NA NA +MJ004432 2-Chloro-5-(hydroxymethyl)-1,4-benzenediol C7H7ClO3 174.008371 NA MeJP NA NA +MJ004433 2-Chloro-6-(hydroxymethyl)-1,4-benzenediol C7H7ClO3 174.008371 NA MeJP NA NA +JH076 Aconitic acid (cis-) C6H6O6 174.0136 Rtobs7.59 PFEM_hmdb_metabocards_urine NA urine +JH076 Aconitic acid (cis-) [M+H]+ C6H6O6 174.0136 7.59 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH076 Aconitic acid (cis-) C6H6O6 174.0136 Rtobs7.59 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH076 Aconitic acid (cis-) [M+H]+ C6H6O6 174.0136 7.59 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH076 Aconitic acid (cis-) C6H6O6 174.0136 Rtobs7.59 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH076 Aconitic acid (cis-) [M+H]+ C6H6O6 174.0136 7.59 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH076 Aconitic acid (cis-) C6H6O6 174.0136 Rtobs7.59 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH076 Aconitic acid (cis-) C6H6O6 174.0136 Rtobs7.59 HMDB NA NA +JH076 Aconitic acid (cis-) C6H6O6 174.0136 Rtobs7.59 Inhouse_PFEM NA NA +JH076 Aconitic acid (cis-) [M+H]+ C6H6O6 174.0136 7.59 Inhousejuil11 NA NA +JH076 Aconitic acid (cis-) C6H6O6 174.0136 Rtobs7.59 PFEM_hmdb_metabocards_blood NA blood +JH076 Aconitic acid (cis-) C6H6O6 174.0136 Rtobs7.59 PFEM_hmdb_metabocards_official NA NA +MetaCyc01400 phenylmethanesulfonyl fluoride [PMSF;] C7H7O2F1S1 174.015078 NA metacyc NA NA +C06747 Phenylmethanesulfonyl fluoride C7H7FO2S 174.0151 NA KEGG NA NA +CJpos0408 Citric acid [(M+H)-(H2O)]+ C6H7O6 174.015875 C18rt(min)=1.09 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0409 Citric acid [(M+H)-(H2O)]+ C6H7O6 174.015875 C18rt(min)=1.6 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0408 Citric acid [(M+H)-(H2O)]+ C6H7O6 174.015875 C18rt(min)=1.09 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0409 Citric acid [(M+H)-(H2O)]+ C6H7O6 174.015875 C18rt(min)=1.6 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +C00417 cis-Aconitate C6H6O6 174.0164 NA KEGG NA NA +C02341 trans-Aconitate C6H6O6 174.0164 NA KEGG NA NA +C02342 'Activated' tRNA C6H6O6 174.0164 NA KEGG NA NA +C05422 Dehydroascorbate C6H6O6 174.0164 NA KEGG NA NA +HMDB00072 cis-Aconitic acid C6H6O6 174.01643 http://www.hmdb.ca/metabolites/HMDB00072 PFEM_hmdb_metabocards_urine NA urine +HMDB00958 trans-Aconitic acid C6H6O6 174.01643 http://www.hmdb.ca/metabolites/HMDB00958 PFEM_hmdb_metabocards_urine NA urine +HMDB01264 Dehydroascorbic acid C6H6O6 174.01643 http://www.hmdb.ca/metabolites/HMDB01264 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00072 cis-Aconitic acid C6H6O6 174.01643 http://www.hmdb.ca/metabolites/HMDB00072 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00958 trans-Aconitic acid C6H6O6 174.01643 http://www.hmdb.ca/metabolites/HMDB00958 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00072 cis-Aconitic acid C6H6O6 174.01643 http://www.hmdb.ca/metabolites/HMDB00072 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00958 trans-Aconitic acid C6H6O6 174.01643 http://www.hmdb.ca/metabolites/HMDB00958 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00072 cis-Aconitic acid C6H6O6 174.01643 http://www.hmdb.ca/metabolites/HMDB00072 HMDB NA NA +HMDB00958 trans-Aconitic acid C6H6O6 174.01643 http://www.hmdb.ca/metabolites/HMDB00958 HMDB NA NA +HMDB01264 Dehydroascorbic acid C6H6O6 174.01643 http://www.hmdb.ca/metabolites/HMDB01264 HMDB NA NA +HMDB01264 Dehydroascorbic acid C6H6O6 174.01643 http://www.hmdb.ca/metabolites/HMDB01264 PFEM_hmdb_metabocards_blood NA blood +HMDB00072 cis-Aconitic acid C6H6O6 174.01643 HMDB00072 PFEM_hmdb_metabocards_official NA NA +HMDB00958 trans-Aconitic acid C6H6O6 174.01643 HMDB00958 PFEM_hmdb_metabocards_official NA NA +HMDB01264 Dehydroascorbic acid C6H6O6 174.01643 HMDB01264 PFEM_hmdb_metabocards_official NA NA +HMDB00072 cis-Aconitic acid C6H6O6 174.016434 NA HMDB2010 NA NA +HMDB00958 trans-Aconitic acid C6H6O6 174.016434 NA HMDB2010 NA NA +HMDB01264 Dehydroascorbic acid C6H6O6 174.016434 NA HMDB2010 NA NA +MJ004434 L-Dehydroascorbate C6H6O6 174.016437 NA MeJP NA NA +MJ004435 cis-Aconitate C6H6O6 174.016437 NA MeJP NA NA +MJ004436 Aconitic acid C6H6O6 174.016437 NA MeJP NA NA +MJ004437 Dehydroascorbic acid C6H6O6 174.016437 NA MeJP NA NA +MetaCyc01401 L-dehydro-ascorbate [dehydroascorbate;] C6H6O6 174.016438 NA metacyc NA NA +MetaCyc01402 trans-aconitate [trans-aconitic acid;] C6H6O6 174.016438 4023-65-8 metacyc NA NA +MetaCyc01403 cis-aconitate [] C6H6O6 174.016438 585-84-2 metacyc NA NA +CJneg0232 Citric acid [(M-H)-(H2O)]- C6H5O6 174.017025 C18rt(min)=1.09 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0232 Citric acid [(M-H)-(H2O)]- C6H5O6 174.017025 C18rt(min)=1.09 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +JH118 Citric acid [M+H-H20]+ NA 174.018 2.57 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH118 Citric acid [M+H-H20]+ NA 174.018 2.57 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH118 Citric acid [M+H-H20]+ NA 174.018 2.57 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH118 Citric acid [M+H-H20]+ NA 174.018 2.57 Inhousejuil11 NA NA +MJ004438 1-Oxo-1H-2-benzopyran-3-carboxaldehyde C10H6O3 174.031694 NA MeJP NA NA +MJ004439 10-Hydroxy-2-decene-4,6,8-triynoic acid C10H6O3 174.031694 NA MeJP NA NA +MJ004440 2-Hydroxy-1,4-naphthoquinone C10H6O3 174.031694 NA MeJP NA NA +MJ004441 5-Hydroxy-1,4-naphthoquinone C10H6O3 174.031694 NA MeJP NA NA +MJ004442 Furo[2,3,4-d,e]-1-benzopyran-2(5H)-one C10H6O3 174.031694 NA MeJP NA NA +MetaCyc01404 5-hydroxy-1,4-naphthoquinone [] C10H6O3 174.031694 NA metacyc NA NA +MetaCyc01405 juglone [5-hydroxy-1,4-naphthoquinone;] C10H6O3 174.031694 NA metacyc NA NA +C03840 5-Hydroxy-1,4-naphthoquinone C10H6O3 174.0317 NA KEGG NA NA +C10368 Lawsone C10H6O3 174.0317 NA KEGG NA NA +C16478 3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate C7H7FO4 174.0328 NA KEGG NA NA +C16479 5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate C7H7FO4 174.0328 NA KEGG NA NA +C16480 4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate C7H7FO4 174.0328 NA KEGG NA NA +C16481 6-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate C7H7FO4 174.0328 NA KEGG NA NA +C16482 2-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate C7H7FO4 174.0328 NA KEGG NA NA +C00493 Shikimate C7H10O5 174.0528 NA KEGG NA NA +C04236 (2S)-2-Isopropyl-3-oxosuccinate C7H10O5 174.0528 NA KEGG NA NA +C16588 2-Oxopimelate C7H10O5 174.0528 NA KEGG NA NA +MJ004443 3-Carboxy-4-methyl-2-oxopentanoate C7H10O5 174.052823 NA MeJP NA NA +MJ004444 Shikimate C7H10O5 174.052823 NA MeJP NA NA +MJ004445 2-Oxoheptanedioic acid C7H10O5 174.052823 NA MeJP NA NA +MJ004446 3,4,5,6-Tetrahydroxy-1-cyclohexene-1-carboxaldehyde C7H10O5 174.052823 NA MeJP NA NA +MJ004447 3,4,5,6-Tetrahydroxy-2-methyl-2-cyclohexen-1-one C7H10O5 174.052823 NA MeJP NA NA +MJ004448 3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid C7H10O5 174.052823 NA MeJP NA NA +MJ004449 4,5,6-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one C7H10O5 174.052823 NA MeJP NA NA +MJ004450 4,5,6-Trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-one C7H10O5 174.052823 NA MeJP NA NA +MJ004451 4,5-Dihydroxy-4-(1-hydroxyethyl)-2-cyclopenten-1-one; 2,3-Epoxide C7H10O5 174.052823 NA MeJP NA NA +MJ004452 Quinic acid, Lactone C7H10O5 174.052823 NA MeJP NA NA +MJ004453 Tetrahydro-3-hydroxy-5-oxo-3-furanacetic acid; Me ester C7H10O5 174.052823 NA MeJP NA NA +MetaCyc01406 shikimate [shikimic acid;] C7H10O5 174.052823 138-59-0 metacyc NA NA +MetaCyc01407 2-isopropyl-3-oxosuccinate [(2S)-2-isopropyl-3-oxosuccinate;] C7H10O5 174.052823 NA metacyc NA NA +MetaCyc01408 α-ketopimelate [2-oxoheptanedionic acid;] C7H10O5 174.052823 NA metacyc NA NA +HMDB03070 Shikimic acid C7H10O5 174.052826 NA HMDB2010 NA NA +HMDB12149 2-Isopropyl-3-oxosuccinate C7H10O5 174.052826 NA HMDB2010 NA NA +HMDB03070 Shikimic acid C7H10O5 174.05283 http://www.hmdb.ca/metabolites/HMDB03070 HMDB NA NA +HMDB03070 Shikimic acid C7H10O5 174.05283 HMDB03070 PFEM_hmdb_metabocards_official NA NA +CJneg0233 Shikimic acid isomer [M-H]- C7H9O5 174.053425 C18rt(min)=0.9 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0233 Shikimic acid isomer [M-H]- C7H9O5 174.053425 C18rt(min)=0.9 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ004454 Di-2-butenyl disulfide C8H14S2 174.053691 NA MeJP NA NA +HMDB00854 Formiminoglutamic acid C6H10N2O4 174.064056 NA HMDB2010 NA NA +HMDB06028 N-Acetylasparagine C6H10N2O4 174.064056 NA HMDB2010 NA NA +MJ004455 N-Formimino-L-glutamate C6H10N2O4 174.064056 NA MeJP NA NA +MJ004456 1-Amino-2-nitro-1-cyclopentanecarboxylic acid C6H10N2O4 174.064056 NA MeJP NA NA +MJ004457 2-Amino-3-(2-nitrocyclopropyl)propanoic acid C6H10N2O4 174.064056 NA MeJP NA NA +MJ004458 4-Amino-2,4-pyrrolidinedicarboxylic acid C6H10N2O4 174.064056 NA MeJP NA NA +MJ004459 Glutamic acid, N-Formimidoyl C6H10N2O4 174.064056 NA MeJP NA NA +MetaCyc01409 formyl-isoglutamine [] C6H10N2O4 174.064057 NA metacyc NA NA +MetaCyc01410 N-formimino-L-glutamate [N-formimino-glutamate;formiminoglutamate;formimino-glu;α-formamidinoglutarate;N-formimidoyl-L-glutamate;] C6H10N2O4 174.064057 816-90-0 metacyc NA NA +EUR022 Formimino glutamic acid C6H10N2O4 174.064058 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR022 Formimino glutamic acid C6H10N2O4 174.064058 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR022 Formimino glutamic acid C6H10N2O4 174.064058 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR022 Formimino glutamic acid C6H10N2O4 174.064058 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR022 Formimino glutamic acid C6H10N2O4 174.064058 Wishlist HMDB NA NA +EUR022 Formimino glutamic acid C6H10N2O4 174.064058 Wishlist Inhouse_PFEM NA NA +EUR022 Formimino glutamic acid C6H10N2O4 174.064058 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR022 Formimino glutamic acid C6H10N2O4 174.064058 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00854 Formiminoglutamic acid C6H10N2O4 174.06406 http://www.hmdb.ca/metabolites/HMDB00854 PFEM_hmdb_metabocards_urine NA urine +HMDB00854 Formiminoglutamic acid C6H10N2O4 174.06406 http://www.hmdb.ca/metabolites/HMDB00854 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00854 Formiminoglutamic acid C6H10N2O4 174.06406 http://www.hmdb.ca/metabolites/HMDB00854 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00854 Formiminoglutamic acid C6H10N2O4 174.06406 http://www.hmdb.ca/metabolites/HMDB00854 HMDB NA NA +HMDB00854 Formiminoglutamic acid C6H10N2O4 174.06406 HMDB00854 PFEM_hmdb_metabocards_official NA NA +EUR022 formimino glutamic acid C6H10N2O4 174.0641 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR022 formimino glutamic acid C6H10N2O4 174.0641 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR022 formimino glutamic acid C6H10N2O4 174.0641 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR022 formimino glutamic acid C6H10N2O4 174.0641 Wishlist Inhousejuil11 NA NA +C00439 N-Formimino-L-glutamate C6H10N2O4 174.0641 NA KEGG NA NA +C16674 Formylisoglutamine C6H10N2O4 174.0641 NA KEGG NA NA +JH163 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H2O-2OH]+ NA 174.0675 13.56 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH163 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H2O-2OH]+ NA 174.0675 13.56 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH163 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H2O-2OH]+ NA 174.0675 13.56 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH163 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H2O-2OH]+ NA 174.0675 13.56 Inhousejuil11 NA NA +MJ004460 1,4-Naphthalenediol; Mono-Me ether C11H10O2 174.068079 NA MeJP NA NA +MJ004461 1,8-Naphthalenediol; Mono-Me ether C11H10O2 174.068079 NA MeJP NA NA +MJ004462 2,5-Dimethyl-4H-1-benzopyran-4-one C11H10O2 174.068079 NA MeJP NA NA +MJ004463 2,8-Decadiene-4,6-diynoic acid, Me ester C11H10O2 174.068079 NA MeJP NA NA +MJ004464 2-(3-Methyl-3-buten-1-ynyl)-1,4-benzenediol C11H10O2 174.068079 NA MeJP NA NA +MJ004465 2-Methyl-1,4-naphthalenediol C11H10O2 174.068079 NA MeJP NA NA +MJ004466 3-Methyl-1,8-naphthalenediol C11H10O2 174.068079 NA MeJP NA NA +MJ004467 5-(2-Methyloxiranyl)benzofuran C11H10O2 174.068079 NA MeJP NA NA +MJ004468 5-Phenyl-2,4-pentadienoic acid C11H10O2 174.068079 NA MeJP NA NA +MJ004469 6-Hydroxy-5-vinylbenzofuran; Me ether C11H10O2 174.068079 NA MeJP NA NA +MetaCyc01411 menadiol [menadiol;] C11H10O2 174.06808 NA metacyc NA NA +C07126 Menadiol C11H10O2 174.0681 NA KEGG NA NA +C12344 1,8-Dihydroxy-3-methylnaphthalene C11H10O2 174.0681 NA KEGG NA NA +C14084 1,2-Dihydroxy-8-methylnaphthalene C11H10O2 174.0681 NA KEGG NA NA +C02693 (Indol-3-yl)acetamide C10H10N2O 174.0793 NA KEGG NA NA +C02695 Isomaltosaccharide C10H10N2O 174.0793 NA KEGG NA NA +C02699 L-Citrulline ester C6H12N3O3R 174.0793 NA KEGG NA NA +C02937 Indole-3-acetaldehyde oxime C10H10N2O 174.0793 NA KEGG NA NA +C13008 Edaravone C10H10N2O 174.0793 NA KEGG NA NA +C13009 Transferred to D01553 C10H10N2O 174.0793 NA KEGG NA NA +C13010 Transferred to D01554 C10H10N2O 174.0793 NA KEGG NA NA +C13011 Transferred to D01555 C10H10N2O 174.0793 NA KEGG NA NA +C13012 Transferred to D01556 C10H10N2O 174.0793 NA KEGG NA NA +C13013 Transferred to D01557 C10H10N2O 174.0793 NA KEGG NA NA +MJ004470 1,2-Dimethyl-4(1H)-quinazolinone C10H10N2O 174.079312 NA MeJP NA NA +MJ004471 1H-Indole-3-acetic acid; Amide C10H10N2O 174.079312 NA MeJP NA NA +MJ004472 2-Hydroxymethyl-4-methylquinazoline C10H10N2O 174.079312 NA MeJP NA NA +MJ004473 Indole-3-acetaldoxime C10H10N2O 174.079313 NA MeJP NA NA +MJ004474 Indole-3-acetamide C10H10N2O 174.079313 NA MeJP NA NA +MetaCyc01412 indole-3-acetamide [1H-indole-3-acetamide;indole-3-acetamide;indoleacetamide;] C10H10N2O1 174.079313 879-37-8 metacyc NA NA +MetaCyc01413 indole-3-acetaldoxime [3-indoleacetaldoxime;indole-3-acetaldehyde oxime;] C10H10N2O1 174.079313 NA metacyc NA NA +HMDB06240 Demethylated antipyrine C10H10N2O 174.079315 NA HMDB2010 NA NA +HMDB06240 Demethylated antipyrine C10H10N2O 174.07932 http://www.hmdb.ca/metabolites/HMDB06240 HMDB NA NA +HMDB06240 Demethylated antipyrine C10H10N2O 174.07932 HMDB06240 PFEM_hmdb_metabocards_official NA NA +CJpos0410 Suberic acid [M+H]+ C8H15O4 174.088675 C18rt(min)=6.46 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0410 Suberic acid [M+H]+ C8H15O4 174.088675 C18rt(min)=6.46 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +7594 ACE inhibitor VG 174.089 antioxidative Inhouse_peptide NA peptide +7608 ACE inhibitor GV 174.089 antioxidative Inhouse_peptide NA peptide +HMDB00893 Suberic acid C8H14O4 174.0892 http://www.hmdb.ca/metabolites/HMDB00893 PFEM_hmdb_metabocards_urine NA urine +HMDB00893 Suberic acid C8H14O4 174.0892 http://www.hmdb.ca/metabolites/HMDB00893 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00893 Suberic acid C8H14O4 174.0892 http://www.hmdb.ca/metabolites/HMDB00893 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00893 Suberic acid C8H14O4 174.0892 http://www.hmdb.ca/metabolites/HMDB00893 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00837 cis-3-octenedioic acid C8H14O4 174.0892 http://www.hmdb.ca/metabolites/HMDB00837 HMDB NA NA +HMDB00893 Suberic acid C8H14O4 174.0892 http://www.hmdb.ca/metabolites/HMDB00893 HMDB NA NA +HMDB02023 Ethyladipic acid C8H14O4 174.0892 http://www.hmdb.ca/metabolites/HMDB02023 HMDB NA NA +C08278 Suberic acid C8H14O4 174.0892 NA KEGG NA NA +C14570 Dimethyl adipate C8H14O4 174.0892 NA KEGG NA NA +C16658 2-Propylglutaric acid C8H14O4 174.0892 NA KEGG NA NA +HMDB00893 Suberic acid C8H14O4 174.0892 http://www.hmdb.ca/metabolites/HMDB00893 PFEM_hmdb_metabocards_blood NA blood +HMDB00837 cis-3-octenedioic acid C8H14O4 174.0892 HMDB00837 PFEM_hmdb_metabocards_official NA NA +HMDB00893 Suberic acid C8H14O4 174.0892 HMDB00893 PFEM_hmdb_metabocards_official NA NA +HMDB02023 Ethyladipic acid C8H14O4 174.0892 HMDB02023 PFEM_hmdb_metabocards_official NA NA +HMDB00893 Suberic acid C8H14O4 174.089203 NA HMDB2010 NA NA +HMDB02023 Ethyladipic acid C8H14O4 174.089203 NA HMDB2010 NA NA +MJ004475 3-Hydroxy-4-hydroxymethyl-4-pentenoic acid; Et ester C8H14O4 174.089208 NA MeJP NA NA +MJ004476 3-Isopropylpentanedioic acid C8H14O4 174.089208 NA MeJP NA NA +MJ004477 3-Methylheptanedioic acid C8H14O4 174.089208 NA MeJP NA NA +MJ004478 Octanedioic acid C8H14O4 174.089208 NA MeJP NA NA +MJ004479 Vertimycin C8H14O4 174.089208 NA MeJP NA NA +CJneg0234 Suberic acid [M-H]- C8H13O4 174.089725 C18rt(min)=6.46 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0234 Suberic acid [M-H]- C8H13O4 174.089725 C18rt(min)=6.46 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C10665 Echinorine C11H12NO 174.0919 NA KEGG NA NA +C00437 N-Acetylornithine C7H14N2O3 174.1004 NA KEGG NA NA +C01047 N5-Ethyl-L-glutamine C7H14N2O3 174.1004 NA KEGG NA NA +C01048 Polyprenyl phosphate C5H11O4P 174.1004 NA KEGG NA NA +HMDB03357 N-Acetylornithine C7H14N2O3 174.10043 http://www.hmdb.ca/metabolites/HMDB03357 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03357 N-Acetylornithine C7H14N2O3 174.10043 http://www.hmdb.ca/metabolites/HMDB03357 HMDB NA NA +HMDB03357 N-Acetylornithine C7H14N2O3 174.10043 http://www.hmdb.ca/metabolites/HMDB03357 PFEM_hmdb_metabocards_blood NA blood +HMDB03357 N-Acetylornithine C7H14N2O3 174.10043 HMDB03357 PFEM_hmdb_metabocards_official NA NA +MJ004480 N2-Acetyl-L-ornithine C7H14N2O3 174.100442 NA MeJP NA NA +MJ004481 1-Amino-8-azabicyclo[3.2.1]octane-2,3,4-triol C7H14N2O3 174.100442 NA MeJP NA NA +MJ004482 2,5-Diaminopentanoic acid, N2-Ac C7H14N2O3 174.100442 NA MeJP NA NA +MJ004483 2,5-Diaminopentanoic acid, N5-Ac C7H14N2O3 174.100442 NA MeJP NA NA +MJ004484 Theanine C7H14N2O3 174.100442 NA MeJP NA NA +MetaCyc01414 N-acetyl-L-ornithine [N2-acetyl-ornithine;N-α-acetylornithine;N-acetylornithine;acetylornithine;N2-acetyl-L-ornithine;] C7H14N2O3 174.100442 2185-16-2 metacyc NA NA +MetaCyc01415 N5-ethyl-L-glutamine [N5-ethylglutamine;] C7H14N2O3 174.100442 NA metacyc NA NA +HMDB03357 N-Acetylornithine C7H14N2O3 174.100449 NA HMDB2010 NA NA +HMDB03357 N-Acetylornithine C7H14N2O3 174.10045 NA ;SYN:N2-Acetyl-L-arginine; N-alpha-l-acetyl-arginine; N-acetyl-l-arginine; N-alpha-Acetyl-L-arginineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ000021 GV C7H14N2O3 174.1005 NA PeJP NA NA +MJ004485 11,12,13-Trinor-1(5),6,9-guaiatrien-8-one C12H14O 174.104465 NA MeJP NA NA +MJ004486 11,12,13-Trinor-7-calamenone C12H14O 174.104465 NA MeJP NA NA +MJ004487 6-Phenyl-3-hexen-2-one C12H14O 174.104465 NA MeJP NA NA +MJ004488 6-Phenyl-4-hexyn-2-ol C12H14O 174.104465 NA MeJP NA NA +MJ004489 Palutropone; 1,2-Dihydro C12H14O 174.104465 NA MeJP NA NA +C17783 Capillanol C12H14O 174.1045 NA KEGG NA NA +CJpos0411 Hexanoylglycine [(M+H)]+ (13C) C713CH16NO3 174.107975 C18rt(min)=6.45 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0412 Isovalerylalanine isomer [(M+H)]+ (13C) C713CH16NO3 174.107975 C18rt(min)=6.5 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0413 N-Acetylisoleucine [(M+H)]+ (13C) C713CH16NO3 174.107975 C18rt(min)=6.08 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0414 N-Acetylleucine [(M+H)]+ (13C) C713CH16NO3 174.107975 C18rt(min)=6.23 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0411 Hexanoylglycine [(M+H)]+ (13C) C713CH16NO3 174.107975 C18rt(min)=6.45 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0412 Isovalerylalanine isomer [(M+H)]+ (13C) C713CH16NO3 174.107975 C18rt(min)=6.5 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0413 N-Acetylisoleucine [(M+H)]+ (13C) C713CH16NO3 174.107975 C18rt(min)=6.08 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0414 N-Acetylleucine [(M+H)]+ (13C) C713CH16NO3 174.107975 C18rt(min)=6.23 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJneg0235 Hexanoylglycine [(M-H)]- (13C) C713CH14NO3 174.109125 C18rt(min)=6.45 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0236 Isovalerylalanine isomer [(M-H)]- (13C) C713CH14NO3 174.109125 C18rt(min)=6.5 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0237 N-Acetylisoleucine [(M-H)]- (13C) C713CH14NO3 174.109125 C18rt(min)=6.08 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0238 N-Acetylleucine [(M-H)]- (13C) C713CH14NO3 174.109125 C18rt(min)=6.23 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0235 Hexanoylglycine [(M-H)]- (13C) C713CH14NO3 174.109125 C18rt(min)=6.45 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0236 Isovalerylalanine isomer [(M-H)]- (13C) C713CH14NO3 174.109125 C18rt(min)=6.5 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0237 N-Acetylisoleucine [(M-H)]- (13C) C713CH14NO3 174.109125 C18rt(min)=6.08 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0238 N-Acetylleucine [(M-H)]- (13C) C713CH14NO3 174.109125 C18rt(min)=6.23 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +JH081 Arginine [M+H]+ C6H14N4O2 174.11114 1.13 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH081 Arginine [M+H]+ C6H14N4O2 174.11114 1.13 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH081 Arginine [M+H]+ C6H14N4O2 174.11114 1.13 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH081 Arginine [M+H]+ C6H14N4O2 174.11114 1.13 Inhousejuil11 NA NA +CJpos0415 Arginine (and isomer) [M+H]+ C6H15O2N4 174.111175 C18rt(min)=0.85 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0415 Arginine (and isomer) [M+H]+ C6H15O2N4 174.111175 C18rt(min)=0.85 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ004490 D-Arginine C6H14N4O2 174.111675 NA MeJP NA NA +MJ004491 L-Arginine C6H14N4O2 174.111675 NA MeJP NA NA +MJ004492 Arginine C6H14N4O2 174.111675 NA MeJP NA NA +MetaCyc01416 L-arginine [2-amino-5-guanidinovaleric acid;R;arginine;arg;] C6H14N4O2 174.111676 74-79-3 metacyc NA NA +MetaCyc01417 D-arginine [D-2-Amino-5-guanidinovaleric acid;] C6H14N4O2 174.111676 157-06-2 metacyc NA NA +HMDB00517 L-Arginine C6H14N4O2 174.111679 NA HMDB2010 NA NA +HMDB03416 D-Arginine C6H14N4O2 174.111679 NA HMDB2010 NA NA +HMDB00517 L-Arginine C6H14N4O2 174.11168 http://www.hmdb.ca/metabolites/HMDB00517 PFEM_hmdb_metabocards_urine NA urine +HMDB00517 L-Arginine C6H14N4O2 174.11168 http://www.hmdb.ca/metabolites/HMDB00517 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00517 L-Arginine C6H14N4O2 174.11168 http://www.hmdb.ca/metabolites/HMDB00517 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00517 L-Arginine C6H14N4O2 174.11168 http://www.hmdb.ca/metabolites/HMDB00517 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00517 L-Arginine C6H14N4O2 174.11168 http://www.hmdb.ca/metabolites/HMDB00517 HMDB NA NA +HMDB03416 D-Arginine C6H14N4O2 174.11168 http://www.hmdb.ca/metabolites/HMDB03416 HMDB NA NA +HMDB00517 L-Arginine C6H14N4O2 174.11168 Aromatic/Heterocyclic glycine conjugates ;SYN:4-Aminohippurate; Aminohippurate; Aminohippuric acid; Chlorphentermine; N-(4-Aminobenzoyl)glycine; N-(p-Aminobenzoyl)aminoacetate; N-(p-Aminobenzoyl)aminoacetic acid; N-(p-Aminobenzoyl)glycine; N-(para-aminobenzoyl)glycine; Nefrotest; PAH; Paha; p-Aminohippurate; p-Aminohippuric acid; para-Aminohippurate; para-Aminohippuric acid; paraaminohippuric acidH2Blood; Urine Inhouse_peptide NA peptide +HMDB00517 L-Arginine C6H14N4O2 174.11168 http://www.hmdb.ca/metabolites/HMDB00517 PFEM_hmdb_metabocards_blood NA blood +HMDB00517 L-Arginine C6H14N4O2 174.11168 HMDB00517 PFEM_hmdb_metabocards_official NA NA +HMDB03416 D-Arginine C6H14N4O2 174.11168 HMDB03416 PFEM_hmdb_metabocards_official NA NA +LABER016 Arginine NA 174.1117 RT 1.73 175, 60, 70, 116, 130 PFEM_hmdb_metabocards_urine NA urine +EUR622 Arginine [M+H]+ 174.1117 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER016 Arginine NA 174.1117 RT 1.73 175, 60, 70, 116, 130 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR622 Arginine [M+H]+ 174.1117 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER016 Arginine NA 174.1117 RT 1.73 175, 60, 70, 116, 130 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR622 Arginine [M+H]+ 174.1117 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER016 Arginine NA 174.1117 RT 1.73 175, 60, 70, 116, 130 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER016 Arginine NA 174.1117 RT 1.73 175, 60, 70, 116, 130 HMDB NA NA +LABER016 Arginine NA 174.1117 RT 1.73 175, 60, 70, 116, 130 Inhouse_PFEM NA NA +EUR622 Arginine [M+H]+ 174.1117 identifies dans standard mixture NuGO Inhousejuil11 NA NA +LABER016 Arginine NA 174.1117 RT 1.73 175, 60, 70, 116, 130 Inhousejuil11 NA NA +C00062 L-Arginine C6H14N4O2 174.1117 NA KEGG NA NA +C00792 D-Arginine C6H14N4O2 174.1117 NA KEGG NA NA +C02385 Amino acid(Arg-) C6H14N4O2 174.1117 NA KEGG NA NA +PJ000022 R C6H14N4O2 174.1117 NA PeJP NA NA +LABER016 Arginine NA 174.1117 RT 1.73 175, 60, 70, 116, 130 PFEM_hmdb_metabocards_blood NA blood +LABER016 Arginine NA 174.1117 RT 1.73 175, 60, 70, 116, 130 PFEM_hmdb_metabocards_official NA NA +EUR548 Arginine NA 174.112175 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR548 Arginine NA 174.112175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR548 Arginine NA 174.112175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR548 Arginine NA 174.112175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR548 Arginine NA 174.112175 identifiés dans sérum NuGO HMDB NA NA +EUR548 Arginine NA 174.112175 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR548 Arginine NA 174.112175 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR548 Arginine NA 174.112175 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR548 Arginine [M+H]+ 174.1122 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR548 Arginine [M+H]+ 174.1122 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR548 Arginine [M+H]+ 174.1122 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR548 Arginine [M+H]+ 174.1122 identifies dans serum NuGO Inhousejuil11 NA NA +HMDB04370 N-Methyltryptamine C11H14N2 174.115692 NA HMDB2010 NA NA +MJ004493 1,2,3,6-Tetrahydro-2,3'-bipyridine, N-Me C11H14N2 174.115698 NA MeJP NA NA +MJ004494 1-(1H-Indol-3-yl)-2-propylamine C11H14N2 174.115698 NA MeJP NA NA +MJ004495 3-(Dimethylaminomethyl)indole C11H14N2 174.115698 NA MeJP NA NA +MJ004496 5,6,7,8,9,10-Hexahydro-7,10-iminocycloocta[c]pyridine C11H14N2 174.115698 NA MeJP NA NA +MJ004497 N-Methyltryptamine C11H14N2 174.115698 NA MeJP NA NA +C06213 N-Methyltryptamine C11H14N2 174.1157 NA KEGG NA NA +C06215 Levan C12H22O11 174.1157 NA KEGG NA NA +C08304 Gramine C11H14N2 174.1157 NA KEGG NA NA +HMDB04370 N-Methyltryptamine C11H14N2 174.11571 http://www.hmdb.ca/metabolites/HMDB04370 HMDB NA NA +HMDB04370 N-Methyltryptamine C11H14N2 174.11571 HMDB04370 PFEM_hmdb_metabocards_official NA NA +MJ004498 3-Hydroxynonanoic acid C9H18O3 174.125594 NA MeJP NA NA +MJ004499 7-Hydroxynonanoic acid C9H18O3 174.125594 NA MeJP NA NA +MJ004500 8-Hydroxynonanoic acid C9H18O3 174.125594 NA MeJP NA NA +HMDB13287 Ne,Ne dimethyllysine C8H18N2O2 174.136826 NA HMDB2010 NA NA +MJ004501 2,3,4,6,7-Pentadeoxy-2,6-diamino-ribo-heptose, N6-Me C8H18N2O2 174.136827 NA MeJP NA NA +MJ004502 2,5-Diaminopentanoic acid, N5-Tri-Me C8H18N2O2 174.136827 NA MeJP NA NA +MJ004503 Lysine, N6-Di-Me C8H18N2O2 174.136827 NA MeJP NA NA +MJ004504 5,7a-Dihydro-1,4,4,7a-tetramethyl-4H-indene C13H18 174.14085 NA MeJP NA NA +MJ004505 Bellenamine C7H18N4O 174.148061 NA MeJP NA NA +C07473 Muscarine C9H20NO2 174.1494 NA KEGG NA NA +MJ004506 Muscarine C9H20NO2 174.149403 NA MeJP NA NA +JH227 Curcumin N/A NA 174.1525 21.48 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH227 Curcumin N/A NA 174.1525 21.48 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH227 Curcumin N/A NA 174.1525 21.48 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH227 Curcumin N/A NA 174.1525 21.48 Inhousejuil11 NA NA +MJ004507 N,N'-Bis(3-aminopropyl)-1,2-ethanediamine C8H22N4 174.184446 NA MeJP NA NA +7918 synthetic peptide GHH 174.5685 MH2+ Inhouse_peptide NA peptide +7823 ACE inhibitor from micro algae FAL 174.5945 MH2+ Inhouse_peptide NA peptide +HMDB01061 Iodate IO3 174.88922 http://www.hmdb.ca/metabolites/HMDB01061 HMDB NA NA +HMDB01061 Iodate IO3 174.88922 HMDB01061 PFEM_hmdb_metabocards_official NA NA +HMDB01061 Iodate [IO3]- 174.889221 NA HMDB2010 NA NA +CJneg0239 Phenylsulfate/Phenolsulfonic acid [(M-H)]- (13C) C513CH5O4S 175.002625 C18rt(min)=5.33 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0239 Phenylsulfate/Phenolsulfonic acid [(M-H)]- (13C) C513CH5O4S 175.002625 C18rt(min)=5.33 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0416 Trigonelline (and isomer) [(M+K)]+ C7H7KNO2 175.002975 C18rt(min)=0.93 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0416 Trigonelline (and isomer) [(M+K)]+ C7H7KNO2 175.002975 C18rt(min)=0.93 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ004508 4-Isothiocyanato-1-(methylsulfinyl)-1-butene C6H9NOS2 175.012555 NA MeJP NA NA +CJneg0240 Citric acid [(M-H)-(H2O)]- (13C) C5[13]CH5O6 175.020325 C18rt(min)=1.09 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0240 Citric acid [(M-H)-(H2O)]- (13C) C5[13]CH5O6 175.020325 C18rt(min)=1.09 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ004509 5-(3-Chloropropyl)-4-methylthiazole C7H10ClNS 175.022247 NA MeJP NA NA +MJ004510 Monodehydroascorbate C6H7O6 175.024263 NA MeJP NA NA +MetaCyc01418 monodehydroascorbate [] C6H7O6 175.024263 NA metacyc NA NA +C01041 Monodehydroascorbate C6H7O6 175.0243 NA KEGG NA NA +C08055 Aminosalicylate sodium anhydrous C7H6NO3 175.0245 NA KEGG NA NA +C08056 Transferred to D00135 C7H6NO3 175.0245 NA KEGG NA NA +MJ004511 2-Quinolinemethanethiol C10H9NS 175.045569 NA MeJP NA NA +CJpos0417 N-Acetylaspartic acid [(M+H)]+ C6H10NO5 175.047575 C18rt(min)=1.04 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0417 N-Acetylaspartic acid [(M+H)]+ C6H10NO5 175.047575 C18rt(min)=1.04 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB00812 N-Acetyl-L-aspartic acid C6H9NO5 175.048065 NA HMDB2010 NA NA +HMDB03470 N-Formyl-L-glutamic acid C6H9NO5 175.048065 NA HMDB2010 NA NA +HMDB00812 N-Acetyl-L-aspartic acid C6H9NO5 175.04807 http://www.hmdb.ca/metabolites/HMDB00812 PFEM_hmdb_metabocards_urine NA urine +HMDB00812 N-Acetyl-L-aspartic acid C6H9NO5 175.04807 http://www.hmdb.ca/metabolites/HMDB00812 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00812 N-Acetyl-L-aspartic acid C6H9NO5 175.04807 http://www.hmdb.ca/metabolites/HMDB00812 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00812 N-Acetyl-L-aspartic acid C6H9NO5 175.04807 http://www.hmdb.ca/metabolites/HMDB00812 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00812 N-Acetyl-L-aspartic acid C6H9NO5 175.04807 http://www.hmdb.ca/metabolites/HMDB00812 HMDB NA NA +HMDB00812 N-Acetyl-L-aspartic acid C6H9NO5 175.04807 Short chain acyl carnitines ;SYN:2-[(2-carboxyacetyl)oxy]-4-hydroxy-N,N,N-trimethyl-4-oxo-1-Butanaminium inner salt; 3-carboxy-2-[(carboxyacetyl)oxy]-N,N,N-trimethyl-1-Propanaminium inner salt; Malonyl-L-carnitineH2Blood; Urine Inhouse_peptide NA peptide +HMDB00812 N-Acetyl-L-aspartic acid C6H9NO5 175.04807 http://www.hmdb.ca/metabolites/HMDB00812 PFEM_hmdb_metabocards_blood NA blood +HMDB00812 N-Acetyl-L-aspartic acid C6H9NO5 175.04807 HMDB00812 PFEM_hmdb_metabocards_official NA NA +MJ004512 2-Amino-3-oxoadipate C6H9NO5 175.048072 NA MeJP NA NA +MJ004513 N-Acetyl-L-aspartate C6H9NO5 175.048072 NA MeJP NA NA +MJ004514 N-Formyl-L-glutamate C6H9NO5 175.048072 NA MeJP NA NA +MJ004515 2-Amino-3-hydroxy-4-methylenepentanedioic acid C6H9NO5 175.048072 NA MeJP NA NA +MJ004516 Aspartic acid, N-Ac C6H9NO5 175.048072 NA MeJP NA NA +MJ004517 N-(Carboxyacetyl)alanine C6H9NO5 175.048072 NA MeJP NA NA +MetaCyc01419 N-formyl-L-glutamate [] C6H9N1O5 175.048072 NA metacyc NA NA +MetaCyc01420 N-Acetyl-L-aspartate [] C6H9N1O5 175.048072 NA metacyc NA NA +MetaCyc01421 2-amino-3-ketoadipate [] C6H9N1O5 175.048072 NA metacyc NA NA +MetaCyc01422 formylglutamate [formyl-glu;] C6H9N1O5 175.048072 NA metacyc NA NA +C01042 N-Acetyl-L-aspartate C6H9NO5 175.0481 NA KEGG NA NA +C01045 N-Formyl-L-glutamate C6H9NO5 175.0481 NA KEGG NA NA +C05520 2-Amino-3-oxoadipate C6H9NO5 175.0481 NA KEGG NA NA +C05524 Aminoacyl-L-methionine C6H9NO5 175.0481 NA KEGG NA NA +CJneg0241 N-Acetylaspartic acid [(M-H)]- C6H8NO5 175.048625 C18rt(min)=1.04 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0242 Oxoproline [(M-H)+(HCOOH)]- C6H8NO5 175.048625 C18rt(min)=1.05 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0241 N-Acetylaspartic acid [(M-H)]- C6H8NO5 175.048625 C18rt(min)=1.04 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0242 Oxoproline [(M-H)+(HCOOH)]- C6H8NO5 175.048625 C18rt(min)=1.05 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ004518 1-Isothiocyanato-5-(methylthio)pentane C7H13NS2 175.04894 NA MeJP NA NA +C15996 7-Cyano-7-deazaguanine C7H5N5O 175.0494 NA KEGG NA NA +MetaCyc01423 7-cyano-7-deazaguanine [preQ0;] C7H5N5O1 175.04941 NA metacyc NA NA +CJneg0243 Shikimic acid isomer [M-H]- (13C) C6[13]CH9O5 175.056725 C18rt(min)=0.9 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0243 Shikimic acid isomer [M-H]- (13C) C6[13]CH9O5 175.056725 C18rt(min)=0.9 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +C03139 N-Amidino-L-aspartate C5H9N3O4 175.0593 NA KEGG NA NA +MetaCyc01424 N-amidino-L-aspartate [N-amidino-L-aspartic acid;guanidinosuccinic acid;] C5H9N3O4 175.059306 6133-30-8 metacyc NA NA +HMDB03157 Guanidinosuccinic acid C5H9N3O4 175.05931 http://www.hmdb.ca/metabolites/HMDB03157 PFEM_hmdb_metabocards_urine NA urine +HMDB03157 Guanidinosuccinic acid C5H9N3O4 175.05931 http://www.hmdb.ca/metabolites/HMDB03157 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03157 Guanidinosuccinic acid C5H9N3O4 175.05931 http://www.hmdb.ca/metabolites/HMDB03157 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB03157 Guanidinosuccinic acid C5H9N3O4 175.05931 http://www.hmdb.ca/metabolites/HMDB03157 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB03157 Guanidinosuccinic acid C5H9N3O4 175.05931 http://www.hmdb.ca/metabolites/HMDB03157 HMDB NA NA +HMDB03157 Guanidinosuccinic acid C5H9N3O4 175.05931 NA ;SYN:(+-)-Selenomethionine; (2S)-2-amino-4-(methylseleno)butanoic acid; (S)-2-amino-4-(methylseleno)-Butanoic acid; (S)-2-Amino-4-(methylseleno)butanoic acid; (S)-2-Amino-4-(methylseleno)butyric acid; 2-amino-4-(methylseleno)butanoate; 2-amino-4-(methylseleno)butanoic acid; 2-Amino-4-(methylselenyl)butyrate; 2-Amino-4-(methylselenyl)butyric acid; DL-Selenomethionine; L(+)-Selenomethionine; L-2-amino-4-(methylselenyl)-Butyric acid; L-Selenomethionine; L-Selenomethioninum; MSE; Selenium methionine; Selenium-L-methionine; Seleno-D,L-methionine; Seleno-DL-methionine; Seleno-L-methionine; Selenomethionine Se 75; SeMet; Sethotope; (2S)-2-amino-4-(methylseleno)butanoate; (S)-2-amino-4-(methylseleno)-Butanoate; (S)-2-Amino-4-(methylseleno)butanoateH2Blood; Urine Inhouse_peptide NA peptide +HMDB03157 Guanidinosuccinic acid C5H9N3O4 175.05931 http://www.hmdb.ca/metabolites/HMDB03157 PFEM_hmdb_metabocards_blood NA blood +HMDB03157 Guanidinosuccinic acid C5H9N3O4 175.05931 HMDB03157 PFEM_hmdb_metabocards_official NA NA +HMDB03157 Guanidinosuccinic acid C5H9N3O4 175.059311 NA HMDB2010 NA NA +CJpos0418 4-methylhippuric acid (para-methylhippuric acid) [(M+H)-(H2O)]+ C10H10NO2 175.062775 C18rt(min)=6.62 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0418 4-methylhippuric acid (para-methylhippuric acid) [(M+H)-(H2O)]+ C10H10NO2 175.062775 C18rt(min)=6.62 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C00954 Indole-3-acetate C10H9NO2 175.0633 NA KEGG NA NA +C01386 NH2Mec C10H9NO2 175.0633 NA KEGG NA NA +C02298 N-Acetylindoxyl C10H9NO2 175.0633 NA KEGG NA NA +C03230 (Indol-3-yl)glycolaldehyde C10H9NO2 175.0633 NA KEGG NA NA +C05634 5-Hydroxyindoleacetaldehyde C10H9NO2 175.0633 NA KEGG NA NA +C06331 2-Methylquinoline-3,4-diol C10H9NO2 175.0633 NA KEGG NA NA +C06344 3-Methyl-quinolin-2,8-diol C10H9NO2 175.0633 NA KEGG NA NA +C06525 Gentianine C10H9NO2 175.0633 NA KEGG NA NA +C11504 3-Hydroxy-2-methyl-1H-quinolin-4-one C10H9NO2 175.0633 NA KEGG NA NA +HMDB00197 Indoleacetic acid C10H9NO2 175.06332 http://www.hmdb.ca/metabolites/HMDB00197 PFEM_hmdb_metabocards_urine NA urine +HMDB00197 Indoleacetic acid C10H9NO2 175.06332 http://www.hmdb.ca/metabolites/HMDB00197 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00197 Indoleacetic acid C10H9NO2 175.06332 http://www.hmdb.ca/metabolites/HMDB00197 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00197 Indoleacetic acid C10H9NO2 175.06332 http://www.hmdb.ca/metabolites/HMDB00197 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00197 Indoleacetic acid C10H9NO2 175.06332 http://www.hmdb.ca/metabolites/HMDB00197 HMDB NA NA +HMDB04073 5-Hydroxyindoleacetaldehyde C10H9NO2 175.06332 http://www.hmdb.ca/metabolites/HMDB04073 HMDB NA NA +HMDB00197 Indoleacetic acid C10H9NO2 175.06332 http://www.hmdb.ca/metabolites/HMDB00197 PFEM_hmdb_metabocards_blood NA blood +HMDB00197 Indoleacetic acid C10H9NO2 175.06332 HMDB00197 PFEM_hmdb_metabocards_official NA NA +HMDB04073 5-Hydroxyindoleacetaldehyde C10H9NO2 175.06332 HMDB04073 PFEM_hmdb_metabocards_official NA NA +HMDB00197 Indoleacetic acid C10H9NO2 175.063324 NA HMDB2010 NA NA +HMDB04073 5-Hydroxyindoleacetaldehyde C10H9NO2 175.063324 NA HMDB2010 NA NA +MJ004519 3-Indoleglycolaldehyde C10H9NO2 175.063328 NA MeJP NA NA +MJ004520 5-Hydroxyindoleacetaldehyde C10H9NO2 175.063328 NA MeJP NA NA +MJ004521 Indole-3-acetate C10H9NO2 175.063328 NA MeJP NA NA +MJ004522 N-Acetylindoxyl C10H9NO2 175.063328 NA MeJP NA NA +MJ004523 1-Phenyl-2-propyn-1-ol, Carbamate C10H9NO2 175.063328 NA MeJP NA NA +MJ004524 1H-Indol-3-ol; OH-form, O-Ac C10H9NO2 175.063328 NA MeJP NA NA +MJ004525 1H-Indole-3-acetic acid C10H9NO2 175.063328 NA MeJP NA NA +MJ004526 1H-Indole-3-carboxaldehyde; 1-Methoxy C10H9NO2 175.063328 NA MeJP NA NA +MJ004527 1H-Indole-3-carboxylic acid; Me ester C10H9NO2 175.063328 NA MeJP NA NA +MJ004528 2,4-Quinolinediol; 2-One-form, 4-Me ether C10H9NO2 175.063328 NA MeJP NA NA +MJ004529 3-(Hydroxyacetyl)-1H-indole C10H9NO2 175.063328 NA MeJP NA NA +MJ004530 Gentiana Alkaloid V C10H9NO2 175.063328 NA MeJP NA NA +MJ004531 Gentianine C10H9NO2 175.063328 NA MeJP NA NA +MetaCyc01425 indole-3-ketol [] C10H9N1O2 175.063329 NA metacyc NA NA +MetaCyc01426 5-hydroxyindole acetaldehyde [] C10H9N1O2 175.063329 NA metacyc NA NA +MetaCyc01427 indole-3-glycol aldehyde [2-hydroxy-2-(1H-indol-3-yl)acetaldehyde;3-indoleglycol aldehyde;] C10H9N1O2 175.063329 NA metacyc NA NA +MetaCyc01428 3-hydroxy-2-methyl-1H-quinolin-4-one [] C10H9N1O2 175.063329 NA metacyc NA NA +MetaCyc01429 indole-3-acetate [IAA;indole-3-acetic acid;indoleacetic acid;auxin;indoleacetate;] C10H9N1O2 175.063329 87-51-4 metacyc NA NA +CJneg0244 Indoleacetic acid [(M-H)]- C10H8NO2 175.063925 C18rt(min)=7.36 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0245 Indoleacetic acid isomer [(M-H)]- C10H8NO2 175.063925 C18rt(min)=4.78 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0244 Indoleacetic acid [(M-H)]- C10H8NO2 175.063925 C18rt(min)=7.36 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0245 Indoleacetic acid isomer [(M-H)]- C10H8NO2 175.063925 C18rt(min)=4.78 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +HMDB02201 N-Carboxyethyl-g-aminobutyric acid C7H13NO4 175.084457 NA HMDB2010 NA NA +MJ004532 1-Nitro-2-pentanol, Ac C7H13NO4 175.084457 NA MeJP NA NA +MJ004533 2-Amino-4-ethylpentanedioic acid C7H13NO4 175.084457 NA MeJP NA NA +MJ004534 2-Aminoheptanedioic acid C7H13NO4 175.084457 NA MeJP NA NA +MJ004535 2-Ethylglutamic acid C7H13NO4 175.084457 NA MeJP NA NA +MJ004536 4,5-Dihydroxy-2-piperidinecarboxylic acid, N-Me C7H13NO4 175.084457 NA MeJP NA NA +MJ004537 8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol C7H13NO4 175.084457 NA MeJP NA NA +MJ004538 8-Azabicyclo[3.2.1]octane-1,2,3,6-tetrol C7H13NO4 175.084457 NA MeJP NA NA +MJ004539 8-Azabicyclo[3.2.1]octane-1,2,4,7-tetrol C7H13NO4 175.084457 NA MeJP NA NA +MJ004540 Detoxinine C7H13NO4 175.084457 NA MeJP NA NA +MJ004541 Valienamine C7H13NO4 175.084457 NA MeJP NA NA +HMDB02201 N-Carboxyethyl-gamma-aminobutyric acid C7H13NO4 175.08446 http://www.hmdb.ca/metabolites/HMDB02201 HMDB NA NA +HMDB02201 N-Carboxyethyl-gamma-aminobutyric acid C7H13NO4 175.08446 HMDB02201 PFEM_hmdb_metabocards_official NA NA +C10851 Calystegin B2 C7H13NO4 175.0845 NA KEGG NA NA +C10898 2-Benzimidazolylguanidine C8H9N5 175.0858 NA KEGG NA NA +3377 ACE inhibitor (from bovine as1-CN) FGK 175.0915 MH2+ Inhouse_peptide NA peptide +CJneg0246 Suberic acid [M-H]- (13C) C7[13]CH13O4 175.093125 C18rt(min)=6.46 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0246 Suberic acid [M-H]- (13C) C7[13]CH13O4 175.093125 C18rt(min)=6.46 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0419 Citrulline isomers [(M+H)]+ C6H14N3O3 175.095175 C18rt(min)=0.9 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0419 Citrulline isomers [(M+H)]+ C6H14N3O3 175.095175 C18rt(min)=0.9 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +LABER055 citrulline NA 175.09536 RT 2.12 fragt 176, 159, 70, 113 PFEM_hmdb_metabocards_urine NA urine +LABER055 citrulline NA 175.09536 RT 2.12 fragt 176, 159, 70, 113 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER055 citrulline NA 175.09536 RT 2.12 fragt 176, 159, 70, 113 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER055 citrulline NA 175.09536 RT 2.12 fragt 176, 159, 70, 113 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER055 citrulline NA 175.09536 RT 2.12 fragt 176, 159, 70, 113 HMDB NA NA +LABER055 citrulline NA 175.09536 RT 2.12 fragt 176, 159, 70, 113 Inhouse_PFEM NA NA +LABER055 citrulline NA 175.09536 176.10256 Inhouse_sept12 NA NA +LABER055 citrulline NA 175.09536 RT 2.12 fragt 176, 159, 70, 113 Inhousejuil11 NA NA +LABER055 citrulline NA 175.09536 RT 2.12 fragt 176, 159, 70, 113 PFEM_hmdb_metabocards_blood NA blood +LABER055 citrulline NA 175.09536 RT 2.12 fragt 176, 159, 70, 113 PFEM_hmdb_metabocards_official NA NA +HMDB00904 Citrulline C6H13N3O3 175.095688 NA HMDB2010 NA NA +HMDB03148 Argininic acid C6H13N3O3 175.095688 NA HMDB2010 NA NA +HMDB00904 Citrulline C6H13N3O3 175.09569 http://www.hmdb.ca/metabolites/HMDB00904 PFEM_hmdb_metabocards_urine NA urine +HMDB00904 Citrulline C6H13N3O3 175.09569 http://www.hmdb.ca/metabolites/HMDB00904 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03148 Argininic acid C6H13N3O3 175.09569 http://www.hmdb.ca/metabolites/HMDB03148 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00904 Citrulline C6H13N3O3 175.09569 http://www.hmdb.ca/metabolites/HMDB00904 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00904 Citrulline C6H13N3O3 175.09569 http://www.hmdb.ca/metabolites/HMDB00904 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00904 Citrulline C6H13N3O3 175.09569 http://www.hmdb.ca/metabolites/HMDB00904 HMDB NA NA +HMDB03148 Argininic acid C6H13N3O3 175.09569 http://www.hmdb.ca/metabolites/HMDB03148 HMDB NA NA +HMDB00904 Citrulline C6H13N3O3 175.09569 NA ;SYN:( -)-3-Amino-2-thiolanon; ( -)-3-Aminotetrahydro-2-thiophenon; (+-)-3-Aminodihydro-2(3H)-thiophenone; 3-Aminodihydro-2(3H)-thiophenone; DL-3-Aminotetrahydro-2-thiophenone; DL-Homocysteine thiolactone; L-Homocysteine thiolactoneH2Blood Inhouse_peptide NA peptide +HMDB03148 Argininic acid C6H13N3O3 175.09569 NA ;SYN:(+-)-Selenomethionine; (2S)-2-amino-4-(methylseleno)butanoic acid; (S)-2-amino-4-(methylseleno)-Butanoic acid; (S)-2-Amino-4-(methylseleno)butanoic acid; (S)-2-Amino-4-(methylseleno)butyric acid; 2-amino-4-(methylseleno)butanoate; 2-amino-4-(methylseleno)butanoic acid; 2-Amino-4-(methylselenyl)butyrate; 2-Amino-4-(methylselenyl)butyric acid; DL-Selenomethionine; L(+)-Selenomethionine; L-2-amino-4-(methylselenyl)-Butyric acid; L-Selenomethionine; L-Selenomethioninum; MSE; Selenium methionine; Selenium-L-methionine; Seleno-D,L-methionine; Seleno-DL-methionine; Seleno-L-methionine; Selenomethionine Se 75; SeMet; Sethotope; (2S)-2-amino-4-(methylseleno)butanoate; (S)-2-amino-4-(methylseleno)-Butanoate; (S)-2-Amino-4-(methylseleno)butanoateH2Blood; Urine Inhouse_peptide NA peptide +HMDB00904 Citrulline C6H13N3O3 175.09569 http://www.hmdb.ca/metabolites/HMDB00904 PFEM_hmdb_metabocards_blood NA blood +HMDB03148 Argininic acid C6H13N3O3 175.09569 http://www.hmdb.ca/metabolites/HMDB03148 PFEM_hmdb_metabocards_blood NA blood +HMDB00904 Citrulline C6H13N3O3 175.09569 HMDB00904 PFEM_hmdb_metabocards_official NA NA +HMDB03148 Argininic acid C6H13N3O3 175.09569 HMDB03148 PFEM_hmdb_metabocards_official NA NA +MJ004542 2-Amino-5-amidinooxypentanoic acid C6H13N3O3 175.095691 NA MeJP NA NA +MJ004543 Citrulline C6H13N3O3 175.095691 NA MeJP NA NA +MJ004544 L-Citrulline C6H13N3O3 175.095691 NA MeJP NA NA +MetaCyc01430 citrulline [Nγ-carbamylornithine;α-amino-γ-ureidovaleric acid;γureidonorvaline;N5-(Aminocarbonyl)-L-ornithine;L-citrulline;] C6H13N3O3 175.095691 372-75-8 metacyc NA NA +EUR623 Citrulline [M+H]+ 175.0957 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR623 Citrulline [M+H]+ 175.0957 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR623 Citrulline [M+H]+ 175.0957 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR623 Citrulline [M+H]+ 175.0957 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00327 L-Citrulline C6H13N3O3 175.0957 NA KEGG NA NA +MLBis016 Citrulline HMDB00904_RT1.17_add159,113 175.0963 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis016 Citrulline HMDB00904_RT1.17_add159,113 175.0963 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis016 Citrulline HMDB00904_RT1.17_add159,113 175.0963 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis016 Citrulline HMDB00904_RT1.17_add159,113 175.0963 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis016 Citrulline HMDB00904_RT1.17_add159,113 175.0963 Mlbis HMDB NA NA +MLBis016 Citrulline HMDB00904_RT1.17_add159,113 175.0963 Mlbis Inhouse_PFEM NA NA +MLBis016 Citrulline HMDB00904_RT1.17_add159,113 175.0963 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis016 Citrulline HMDB00904_RT1.17_add159,113 175.0963 Mlbis PFEM_hmdb_metabocards_official NA NA +JH084 Citrulline (L-) C6H13N3O3 175.0973 Rtobs1.22 PFEM_hmdb_metabocards_urine NA urine +JH084 Citrulline (L-) [M+H]+ C6H13N3O3 175.0973 1.22 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH084 Citrulline (L-) C6H13N3O3 175.0973 Rtobs1.22 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH084 Citrulline (L-) [M+H]+ C6H13N3O3 175.0973 1.22 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH084 Citrulline (L-) C6H13N3O3 175.0973 Rtobs1.22 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH084 Citrulline (L-) [M+H]+ C6H13N3O3 175.0973 1.22 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH084 Citrulline (L-) C6H13N3O3 175.0973 Rtobs1.22 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH084 Citrulline (L-) C6H13N3O3 175.0973 Rtobs1.22 HMDB NA NA +JH084 Citrulline (L-) C6H13N3O3 175.0973 Rtobs1.22 Inhouse_PFEM NA NA +JH084 Citrulline (L-) [M+H]+ C6H13N3O3 175.0973 1.22 Inhousejuil11 NA NA +JH084 Citrulline (L-) C6H13N3O3 175.0973 Rtobs1.22 PFEM_hmdb_metabocards_blood NA blood +JH084 Citrulline (L-) C6H13N3O3 175.0973 Rtobs1.22 PFEM_hmdb_metabocards_official NA NA +MJ004545 2-Methyl-1H-indole-4-methanol; Me ether C11H13NO 175.099714 NA MeJP NA NA +MJ004546 4-Amino-1-phenyl-1-penten-3-one C11H13NO 175.099714 NA MeJP NA NA +C17249 7-Methylthioheptanaldoxime C8H17NOS 175.1031 NA KEGG NA NA +C13650 Debrisoquin C10H13N3 175.1109 NA KEGG NA NA +C13651 Glucagon hydrochloride C10H13N3 175.1109 NA KEGG NA NA +HMDB06543 Debrisoquine C10H13N3 175.110947 NA HMDB2010 NA NA +MJ004547 Debrisoquine C10H13N3 175.110947 NA MeJP NA NA +MJ004548 Phenamazoline C10H13N3 175.110947 NA MeJP NA NA +HMDB06543 Debrisoquine C10H13N3 175.11095 http://www.hmdb.ca/metabolites/HMDB06543 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06543 Debrisoquine C10H13N3 175.11095 http://www.hmdb.ca/metabolites/HMDB06543 HMDB NA NA +HMDB06543 Debrisoquine C10H13N3 175.11095 http://www.hmdb.ca/metabolites/HMDB06543 PFEM_hmdb_metabocards_blood NA blood +HMDB06543 Debrisoquine C10H13N3 175.11095 HMDB06543 PFEM_hmdb_metabocards_official NA NA +MJ004549 Homodimaprit C7H17N3S 175.114318 NA MeJP NA NA +MJ004550 2,3,6-Trideoxy-3-dimethylamino-ribo-hexose C8H17NO3 175.120843 NA MeJP NA NA +MJ004551 2-Ethyl-6-methyl-3,4,5-piperidinetriol C8H17NO3 175.120843 NA MeJP NA NA +MJ004552 3,4,6-Trideoxy-3-dimethylamino-xylo-hexose C8H17NO3 175.120843 NA MeJP NA NA +MJ004553 3-(Dimethylamino)-2,3,6-trideoxy-arabino-hexose C8H17NO3 175.120843 NA MeJP NA NA +MJ004554 3-(Dimethylamino)-2,3,6-trideoxy-lyxo-hexose C8H17NO3 175.120843 NA MeJP NA NA +MJ004555 4-Amino-2,4,6-trideoxy-3-O-methyl-xylo-hexose; ?-D-Pyranose-form, Me glycoside C8H17NO3 175.120843 NA MeJP NA NA +MJ004556 4-Amino-3-hydroxy-6-methylheptanoic acid C8H17NO3 175.120843 NA MeJP NA NA +MJ004557 6-Ethyl-2-hydroxymethyl-3,4-piperidinediol C8H17NO3 175.120843 NA MeJP NA NA +MJ004558 Lactoylcholine C8H18NO3(+) 175.120843 NA MeJP NA NA +C18174 Carboxynorspermidine C7H17N3O2 175.1321 NA KEGG NA NA +MJ004559 1,2,3,4-Tetrahydro-2,2,8-trimethylquinoline C12H17N 175.136099 NA MeJP NA NA +MJ004560 1-Phenylcyclohexylamine C12H17N 175.136099 NA MeJP NA NA +MJ004561 Nigrifactin C12H17N 175.136099 NA MeJP NA NA +C10162 Nigrifactin C12H17N 175.1361 NA KEGG NA NA +7868 peptide from Okara protein ADF 175.56595 MH2+ Inhouse_peptide NA peptide +2738 regulating phosphoinositole mechanism peptide LGY 175.584 MH2+ Inhouse_peptide NA peptide +2739 regulating phosphoinositole mechanism peptide GLY 175.584 MH2+ Inhouse_peptide NA peptide +3099 fragment of bovine alpha s1 casein (92-94) LGY 175.584 MH2+ Inhouse_peptide NA peptide +3546 ACE inhibitor VAY 175.584 MH2+ Inhouse_peptide NA peptide +3973 ACE inhibitor (from bovine a-La) YGL 175.584 MH2+ Inhouse_peptide NA peptide +8036 synthetic peptide PHV 175.589 MH2+ Inhouse_peptide NA peptide +MJ004562 Chloroiodomethane CH2ClI 175.888971 NA MeJP NA NA +MJ004563 Iodic acid (HIO3) HIO3 175.897037 NA MeJP NA NA +C13964 Fosfomycin calcium C3H5O4P 175.9551 NA KEGG NA NA +C13965 Transferred to D02188 C3H5O4P 175.9551 NA KEGG NA NA +C13966 Transferred to D02189 C3H5O4P 175.9551 NA KEGG NA NA +MJ004564 1,1,1-Trichloro-2-methyl-2-propanol C4H7Cl3O 175.956247 NA MeJP NA NA +MJ004565 Methanediphosphonic acid CH6O6P2 175.96396 NA MeJP NA NA +MetaCyc01431 methylenediphosphonate [methylenediphosphonic acid;MDP;methylenediphosphonate;methanediphosphonic acid;methanebisphosphonic acid;medronic acid;] C1H6O6P2 175.963961 NA metacyc NA NA +JH037 Hydroxybenzoic acid (p-) [M+K]+ NA 175.98759 11.43 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH037 Hydroxybenzoic acid (p-) [M+K]+ NA 175.98759 11.43 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH037 Hydroxybenzoic acid (p-) [M+K]+ NA 175.98759 11.43 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH037 Hydroxybenzoic acid (p-) [M+K]+ NA 175.98759 11.43 Inhousejuil11 NA NA +C03572 2-Chloro-cis,cis-muconate C6H5ClO4 175.9876 NA KEGG NA NA +C03573 2-Deoxy-alpha-D-glucoside C6H11O5R 175.9876 NA KEGG NA NA +C03585 3-Chloro-cis,cis-muconate C6H5ClO4 175.9876 NA KEGG NA NA +C04522 2-Chloro-2,5-dihydro-5-oxofuran-2-acetate C6H5ClO4 175.9876 NA KEGG NA NA +C07089 5-Chloro-2-hydroxymuconic semialdehyde C6H5ClO4 175.9876 NA KEGG NA NA +C16266 3-Chloro-2-hydroxymuconic semialdehyde C6H5ClO4 175.9876 NA KEGG NA NA +MJ004566 2-Chloro-2,5-dihydro-5-oxofuran-2-acetate C6H5ClO4 175.987636 NA MeJP NA NA +MJ004567 3-Chloro-cis,cis-muconate C6H5ClO4 175.987636 NA MeJP NA NA +MJ004568 5-Chloro-2-hydroxymuconic semialdehyde C6H5ClO4 175.987636 NA MeJP NA NA +MetaCyc01432 3-chloro-cis,cis-muconate [] C6H5O4CL1 175.987636 NA metacyc NA NA +MetaCyc01433 2-chloro-cis,cis-muconate [] C6H5O4CL1 175.987636 NA metacyc NA NA +MetaCyc01434 2-chloro-2,5-dihydro-5-oxofuran-2-acetate [5-Chloro-2,5-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-2,5-dihydrofuran-2-acetate;] C6H5O4CL1 175.987636 NA metacyc NA NA +C08171 Sodium thiosalicylate C7H5O2S 175.9908 NA KEGG NA NA +C08172 Transferred to D00972 C7H5O2S 175.9908 NA KEGG NA NA +MJ004569 4-Fluorobenzenesulfonic acid C6H5FO3S 175.994342 NA MeJP NA NA +CJneg0247 Phenylsulfate/Phenolsulfonic acid [(M-H)]- (34S) C6H5O4S034S 175.995025 C18rt(min)=5.33 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0247 Phenylsulfate/Phenolsulfonic acid [(M-H)]- (34S) C6H5O4S034S 175.995025 C18rt(min)=5.33 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ004570 2-Chloro-4-hydroxy-4-(1-hydroxyethyl)-2-cyclopenten-1-one C7H9ClO3 176.024021 NA MeJP NA NA +NOREF1 ascorbic acid NA 176.03 177.0372 Inhouse_sept12 NA NA +MJ004571 1,2,3-Propanetricarboxylic acid C6H8O6 176.032087 NA MeJP NA NA +MJ004572 2-Hydroxy-2-methyl-4-oxopentanedioic acid C6H8O6 176.032087 NA MeJP NA NA +MJ004573 Alginic acid C6H8O6 176.032087 NA MeJP NA NA +MJ004574 Ascorbic acid C6H8O6 176.032087 NA MeJP NA NA +MJ004575 Glucurono-6,3-lactone C6H8O6 176.032087 NA MeJP NA NA +MJ004576 Isoascorbic acid C6H8O6 176.032087 NA MeJP NA NA +MJ004577 (4S)-4,6-Dihydroxy-2,5-dioxohexanoate C6H8O6 176.032088 NA MeJP NA NA +MJ004578 2-Hydroxy-3-oxoadipate C6H8O6 176.032088 NA MeJP NA NA +MJ004579 4-Hydroxy-4-methyl-2-oxoglutarate C6H8O6 176.032088 NA MeJP NA NA +MJ004580 5-Dehydro-4-deoxy-D-glucuronate C6H8O6 176.032088 NA MeJP NA NA +MJ004581 Ascorbate C6H8O6 176.032088 NA MeJP NA NA +MJ004582 D-Galacturonolactone C6H8O6 176.032088 NA MeJP NA NA +MJ004583 D-Glucuronolactone C6H8O6 176.032088 NA MeJP NA NA +MJ004584 Parapyruvate C6H8O6 176.032088 NA MeJP NA NA +MetaCyc01435 L-ascorbate [vitamin C;ascorbate;L-ascorbate (vitamin C);ascorbic acid;] C6H8O6 176.032088 50-81-7 metacyc NA NA +MetaCyc01436 D-glucuronolactone [D-glucurono-3,6-lactone;D-glucurono-6,3-lactone;glucuronolactone;] C6H8O6 176.032088 32449-92-6 metacyc NA NA +MetaCyc01437 4-hydroxy-4-carboxy-2-oxovalerate [] C6H8O6 176.032088 NA metacyc NA NA +MetaCyc01438 2-hydroxy-3-oxoadipate [] C6H8O6 176.032088 NA metacyc NA NA +MetaCyc01439 D-Glucurono-6,2-lactone [] C6H8O6 176.032088 NA metacyc NA NA +MetaCyc01440 5-dehydro-4-deoxy-D-glucuronate [4,5-dihydroxy-2,6-dioxo-hexanoic acid;4-deoxy-L-threo-5-hexosulose uronate;] C6H8O6 176.032088 NA metacyc NA NA +MetaCyc01441 tricarballylate [tricarballylic acid;1,2,3-propanetricarboxylic acid;] C6H8O6 176.032088 99-14-9 metacyc NA NA +MetaCyc01442 3-deoxy-D-glycero-2,5-hexodiulosonate [(4S)-4,6-dihydroxy-2,5-dioxohexanoate;2,5-diketo-3-deoxy-D-gluconate;] C6H8O6 176.032088 NA metacyc NA NA +MetaCyc01443 L-xylo-Hexulonolactone [] C6H8O6 176.032088 NA metacyc NA NA +MetaCyc01444 4-hydroxy-4-methyl-2-oxoglutarate [4-hydroxy-4-methyl-2-ketoglutarate;] C6H8O6 176.032088 NA metacyc NA NA +MetaCyc01445 (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoate [4,5-dihydroxy-2,6-dioxo-hexanoic acid;] C6H8O6 176.032088 NA metacyc NA NA +MetaCyc01446 2-keto-L-Gulonolactone [] C6H8O6 176.032088 NA metacyc NA NA +MetaCyc01447 1,5-anhydro-D-fructose [] C6H8O6 176.032088 NA metacyc NA NA +HMDB00044 Ascorbic acid C6H8O6 176.032089 NA HMDB2010 NA NA +HMDB06355 D-Glucurono-6,3-lactone C6H8O6 176.032089 NA HMDB2010 NA NA +HMDB00044 Ascorbic acid C6H8O6 176.03209 http://www.hmdb.ca/metabolites/HMDB00044 PFEM_hmdb_metabocards_urine NA urine +EUR198 Vitamin C C6H8O6 176.03209 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR624 Ascorbic acid NA 176.03209 non detecte dans standard mix PFEM_hmdb_metabocards_urine NA urine +HMDB00044 Ascorbic acid C6H8O6 176.03209 http://www.hmdb.ca/metabolites/HMDB00044 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR198 Vitamin C C6H8O6 176.03209 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR624 Ascorbic acid NA 176.03209 non detecte dans standard mix BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00044 Ascorbic acid C6H8O6 176.03209 http://www.hmdb.ca/metabolites/HMDB00044 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR198 Vitamin C C6H8O6 176.03209 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR624 Ascorbic acid NA 176.03209 non detecte dans standard mix Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00044 Ascorbic acid C6H8O6 176.03209 http://www.hmdb.ca/metabolites/HMDB00044 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR198 Vitamin C C6H8O6 176.03209 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR624 Ascorbic acid NA 176.03209 non detecte dans standard mix banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00044 Ascorbic acid C6H8O6 176.03209 http://www.hmdb.ca/metabolites/HMDB00044 HMDB NA NA +HMDB06355 D-glucurono-6,3-lactone C6H8O6 176.03209 http://www.hmdb.ca/metabolites/HMDB06355 HMDB NA NA +EUR198 Vitamin C C6H8O6 176.03209 Wishlist HMDB NA NA +EUR624 Ascorbic acid NA 176.03209 non détecté dans standard mix HMDB NA NA +EUR198 Vitamin C C6H8O6 176.03209 Wishlist Inhouse_PFEM NA NA +EUR624 Ascorbic acid NA 176.03209 non detecte dans standard mix Inhouse_PFEM NA NA +HMDB00044 Ascorbic acid C6H8O6 176.03209 http://www.hmdb.ca/metabolites/HMDB00044 PFEM_hmdb_metabocards_blood NA blood +EUR198 Vitamin C C6H8O6 176.03209 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR624 Ascorbic acid NA 176.03209 non detecte dans standard mix PFEM_hmdb_metabocards_blood NA blood +EUR198 Vitamin C C6H8O6 176.03209 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR624 Ascorbic acid NA 176.03209 non detecte dans standard mix PFEM_hmdb_metabocards_official NA NA +HMDB00044 Ascorbic acid C6H8O6 176.03209 HMDB00044 PFEM_hmdb_metabocards_official NA NA +HMDB06355 D-glucurono-6,3-lactone C6H8O6 176.03209 HMDB06355 PFEM_hmdb_metabocards_official NA NA +EUR198 Vitamin C C6H8O6 176.0321 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR624 Ascorbic acid NA 176.0321 non detecte dans standard mix BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR198 Vitamin C C6H8O6 176.0321 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR624 Ascorbic acid NA 176.0321 non detecte dans standard mix Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR198 Vitamin C C6H8O6 176.0321 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR624 Ascorbic acid NA 176.0321 non detecte dans standard mix banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR198 Vitamin C C6H8O6 176.0321 Wishlist Inhousejuil11 NA NA +EUR624 Ascorbic acid NA 176.0321 non detecte dans standard mix Inhousejuil11 NA NA +C00072 Ascorbate C6H8O6 176.0321 NA KEGG NA NA +C02670 D-Glucuronolactone C6H8O6 176.0321 NA KEGG NA NA +C02671 D-Glutamyl-peptide C5H9N2O3R 176.0321 NA KEGG NA NA +C02672 D-Hexose phosphate C5H9N2O3R 176.0321 NA KEGG NA NA +C03217 2-Hydroxy-3-oxoadipate C6H8O6 176.0321 NA KEGG NA NA +C03289 L-xylo-Hexulonolactone C6H8O6 176.0321 NA KEGG NA NA +C03387 D-Glucurono-6,2-lactone C6H8O6 176.0321 NA KEGG NA NA +C03391 DNA 6-methylaminopurine C11H16N5O6P 176.0321 NA KEGG NA NA +C04053 5-Dehydro-4-deoxy-D-glucuronate C6H8O6 176.0321 NA KEGG NA NA +C04349 (4S)-4,6-Dihydroxy-2,5-dioxohexanoate C6H8O6 176.0321 NA KEGG NA NA +C04471 (4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate C6H8O6 176.0321 NA KEGG NA NA +C04473 3-alpha-D-Galactosyl-[lipopolysaccharide glucose] C6H8O6 176.0321 NA KEGG NA NA +C04475 1-Alkyl-2-acylglycerophosphoethanolamine C6H12NO7PR2 176.0321 NA KEGG NA NA +C04476 1-Alkyl-sn-glycero-3-phosphoethanolamine C5H13NO6PR 176.0321 NA KEGG NA NA +C06033 Parapyruvate C6H8O6 176.0321 NA KEGG NA NA +C06430 D-Galacturonolactone C6H8O6 176.0321 NA KEGG NA NA +C06440 2-Dehydro-D-glucono-1,5-lactone C6H8O6 176.0321 NA KEGG NA NA +CJneg0248 Ascorbic acid [M-H]- C6H7O6 176.032625 C18rt(min)=1.04 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0248 Ascorbic acid [M-H]- C6H7O6 176.032625 C18rt(min)=1.04 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C00438 N-Carbamoyl-L-aspartate C5H8N2O5 176.0433 NA KEGG NA NA +C04209 N3-Oxalyl-L-2,3-diaminopropanoate C5H8N2O5 176.0433 NA KEGG NA NA +HMDB00828 Ureidosuccinic acid C5H8N2O5 176.04332 http://www.hmdb.ca/metabolites/HMDB00828 HMDB NA NA +HMDB00828 Ureidosuccinic acid C5H8N2O5 176.04332 HMDB00828 PFEM_hmdb_metabocards_official NA NA +HMDB00828 Ureidosuccinic acid C5H8N2O5 176.04332 NA HMDB2010 NA NA +MJ004585 2-Amino-3-(oxalylamino)propanoic acid C5H8N2O5 176.043321 NA MeJP NA NA +MJ004586 3-Amino-2-(oxalylamino)propanoic acid C5H8N2O5 176.043321 NA MeJP NA NA +MJ004587 N-Carbamoyl-L-aspartate C5H8N2O5 176.043321 NA MeJP NA NA +MetaCyc01448 N-3-oxalyl-L-2,3-diaminopropanoate [L-α-amino-β-oxalylaminopropionic acid;] C5H8N2O5 176.043321 5302-45-4 metacyc NA NA +MetaCyc01449 carbamoyl-L-aspartate [carbamyul-L-aspartate;N-carbamoyl-L-aspartate;carbamyul-aspartate;carbamoyl-aspartate;carbamyl-aspartate;carbamyl-L-aspartate;] C5H8N2O5 176.043321 16649-79-9 metacyc NA NA +CJpos0420 Monoethyl phthalate [(M+H)-(H2O)]+ C10H9O3 176.046775 C18rt(min)=7.45 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0420 Monoethyl phthalate [(M+H)-(H2O)]+ C10H9O3 176.046775 C18rt(min)=7.45 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +JH124 Ferulic acid [M+H-H20]+ NA 176.0468 13.89 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH124 Ferulic acid [M+H-H20]+ NA 176.0468 13.89 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH124 Ferulic acid [M+H-H20]+ NA 176.0468 13.89 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH124 Ferulic acid [M+H-H20]+ NA 176.0468 13.89 Inhousejuil11 NA NA +C01173 1,3,8-Naphthalenertriol C10H8O3 176.0473 NA KEGG NA NA +C03081 4-Methylumbelliferone C10H8O3 176.0473 NA KEGG NA NA +C09268 Herniarin C10H8O3 176.0473 NA KEGG NA NA +MJ004588 1,3,8-Naphthalenetriol C10H8O3 176.047344 NA MeJP NA NA +MJ004589 1,4,5-Naphthalenetriol C10H8O3 176.047344 NA MeJP NA NA +MJ004590 10-Hydroxy-2,8-decadiene-4,6-diynoic acid C10H8O3 176.047344 NA MeJP NA NA +MJ004591 2,8-Decadiene-4,6-diynoic acid, 8,9-Epoxide C10H8O3 176.047344 NA MeJP NA NA +MJ004592 3-(3,4-Methylenedioxyphenyl)propenal C10H8O3 176.047344 NA MeJP NA NA +MJ004593 4-Hydroxy-3-methyl-2H-1-benzopyran-2-one C10H8O3 176.047344 NA MeJP NA NA +MJ004594 4-Hydroxy-5-methyl-2H-1-benzopyran-2-one C10H8O3 176.047344 NA MeJP NA NA +MJ004595 5-Hydroxy-1,4-naphthoquinone; 2,3-Dihydro C10H8O3 176.047344 NA MeJP NA NA +MJ004596 5-Hydroxy-2-methyl-4H-1-benzopyran-4-one C10H8O3 176.047344 NA MeJP NA NA +MJ004597 5-Hydroxy-2H-1-benzopyran-2-one; Me ether C10H8O3 176.047344 NA MeJP NA NA +MJ004598 5-Hydroxy-4-phenyl-2(5H)-furanone C10H8O3 176.047344 NA MeJP NA NA +MJ004599 7-Hydroxy-2H-1-benzopyran-2-one; Me ether C10H8O3 176.047344 NA MeJP NA NA +MJ004600 7-Hydroxy-4-methyl-2H-1-benzopyran-2-one C10H8O3 176.047344 NA MeJP NA NA +MJ004601 7-Hydroxy-6-methyl-2H-1-benzopyran-2-one C10H8O3 176.047344 NA MeJP NA NA +MJ004602 8-Hydroxy-2H-1-benzopyran-2-one; Me ether C10H8O3 176.047344 NA MeJP NA NA +MJ004603 8-Hydroxy-3-methyl-1H-2-benzopyran-1-one C10H8O3 176.047344 NA MeJP NA NA +MJ004604 Erythrocentaurin C10H8O3 176.047344 NA MeJP NA NA +MetaCyc01450 1,3,8-naphthalenetriol [1,3,8-trihydroxynaphthalene;] C10H8O3 176.047344 NA metacyc NA NA +MetaCyc01451 4-methylumbelliferone [Hymecromone;] C10H8O3 176.047344 90-33-5 metacyc NA NA +JH209 Hesperetin (C10H9O3) NA 176.0482 17.78 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH209 Hesperetin (C10H9O3) NA 176.0482 17.78 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH209 Hesperetin (C10H9O3) NA 176.0482 17.78 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH209 Hesperetin (C10H9O3) NA 176.0482 17.78 Inhousejuil11 NA NA +C17216 2-Oxo-6-methylthiohexanoic acid C7H12O3S 176.0507 NA KEGG NA NA +MJ004605 Erysulfide; S-Oxide (S-) C7H12O3S 176.050714 NA MeJP NA NA +HMDB01209 Allantoic acid C4H8N4O4 176.05455 http://www.hmdb.ca/metabolites/HMDB01209 HMDB NA NA +HMDB01209 Allantoic acid C4H8N4O4 176.05455 HMDB01209 PFEM_hmdb_metabocards_official NA NA +HMDB01209 Allantoic acid C4H8N4O4 176.05455 NA HMDB2010 NA NA +MJ004606 Allantoic acid C4H8N4O4 176.054554 NA MeJP NA NA +MJ004607 Allantoate C4H8N4O4 176.054554 NA MeJP NA NA +MetaCyc01452 allantoate [] C4H8N4O4 176.054555 99-16-1 metacyc NA NA +C00499 Allantoate C4H8N4O4 176.0546 NA KEGG NA NA +MJ004608 2,4(1H,3H)-Quinazolinedione; Di-NH-form, 1-Me C9H8N2O2 176.058577 NA MeJP NA NA +MJ004609 2-Amino-5-phenyl-4(5H)-oxazolone C9H8N2O2 176.058577 NA MeJP NA NA +MetaCyc01453 phenylhydantoin [] C9H8N2O2 176.058578 NA metacyc NA NA +MetaCyc01454 4-hydroxyaminoquinoline-N-oxide [] C9H8N2O2 176.058578 4637-56-3 metacyc NA NA +C04050 4-Hydroxyaminoquinoline N-oxide C9H8N2O2 176.0586 NA KEGG NA NA +C07899 Pemoline C9H8N2O2 176.0586 NA KEGG NA NA +C07900 Interferon alfa-2a C9H8N2O2 176.0586 NA KEGG NA NA +C07901 Interferon beta-1b C9H8N2O2 176.0586 NA KEGG NA NA +C07902 Interferon gamma-1b C9H8N2O2 176.0586 NA KEGG NA NA +C07903 Interleukin-2 C9H8N2O2 176.0586 NA KEGG NA NA +MJ004610 Fosmenic acid C7H13O3P 176.06023 NA MeJP NA NA +CJpos0421 4-methylhippuric acid (para-methylhippuric acid) [(M+H)-(H2O)]+ (13C) C913CH10NO2 176.066175 C18rt(min)=6.62 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0421 4-methylhippuric acid (para-methylhippuric acid) [(M+H)-(H2O)]+ (13C) C913CH10NO2 176.066175 C18rt(min)=6.62 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +7612 ACE inhibitor GT 176.068 antioxidative Inhouse_peptide NA peptide +7621 ACE inhibitor TG 176.068 antioxidative Inhouse_peptide NA peptide +HMDB00402 2-Isopropylmalic acid C7H12O5 176.06847 http://www.hmdb.ca/metabolites/HMDB00402 HMDB NA NA +HMDB02025 2,3-Dimethyl-3-hydroxyglutaric acid C7H12O5 176.06847 http://www.hmdb.ca/metabolites/HMDB02025 HMDB NA NA +HMDB00402 2-Isopropylmalic acid C7H12O5 176.06847 HMDB00402 PFEM_hmdb_metabocards_official NA NA +HMDB02025 2,3-Dimethyl-3-hydroxyglutaric acid C7H12O5 176.06847 HMDB02025 PFEM_hmdb_metabocards_official NA NA +MJ004611 1-Deoxy-2,7-anhydroaltroheptulose C7H12O5 176.068473 NA MeJP NA NA +MJ004612 2-Hydroxy-2-isopropylbutanedioic acid C7H12O5 176.068473 NA MeJP NA NA +MJ004613 2-Hydroxy-3-isopropylbutanedioic acid C7H12O5 176.068473 NA MeJP NA NA +MJ004614 2-Hydroxyheptanedioic acid C7H12O5 176.068473 NA MeJP NA NA +MJ004615 5-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol C7H12O5 176.068473 NA MeJP NA NA +MJ004616 Cyclophellitol C7H12O5 176.068473 NA MeJP NA NA +MJ004617 2-Isopropylmalate C7H12O5 176.068473 NA MeJP NA NA +MJ004618 2-Propylmalate C7H12O5 176.068473 NA MeJP NA NA +MJ004619 3-Isopropylmalate C7H12O5 176.068473 NA MeJP NA NA +MJ004620 3-Propylmalate C7H12O5 176.068473 NA MeJP NA NA +MetaCyc01455 3-propylmalate [] C7H12O5 176.068473 NA metacyc NA NA +MetaCyc01456 2-isopropylmalate [3-hydroxy-4-methyl-3-carboxypentanoate;3-carboxy-3-hydroxy-4-methylpentanoate;3-carboxy-3-hydroxy-isocaproate;α-isopropylmalate;(2S)-2-isopropylmalate;] C7H12O5 176.068473 NA metacyc NA NA +MetaCyc01457 3-isopropylmalate [2-D-threo-hydroxy-3-carboxy-isocaproate;3-carboxy-2-hydroxy-4-methylpentanoate;β-isopropylmalate;] C7H12O5 176.068473 NA metacyc NA NA +HMDB00402 2-Isopropylmalic acid C7H12O5 176.068481 NA HMDB2010 NA NA +HMDB02025 2,3-Dimethyl-3-hydroxyglutaric acid C7H12O5 176.068481 NA HMDB2010 NA NA +HMDB12156 3-Isopropylmalate C7H12O5 176.068481 NA HMDB2010 NA NA +C02123 3-Propylmalate C7H12O5 176.0685 NA KEGG NA NA +C02504 (2S)-2-Isopropylmalate C7H12O5 176.0685 NA KEGG NA NA +C03328 (R)-2-(n-Propyl)-malate C7H12O5 176.0685 NA KEGG NA NA +C04411 (2R,3S)-3-Isopropylmalate C7H12O5 176.0685 NA KEGG NA NA +C05994 2-Propylmalate C7H12O5 176.0685 NA KEGG NA NA +CJneg0249 2-isopropylmalic acid [(M-H)]- C7H11O5 176.069025 C18rt(min)=5.52 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0250 3-methyl-2-oxovaleric acid [(M-H)+(HCOOH)]- C7H11O5 176.069025 C18rt(min)=5.37 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0251 4-methyl-2-oxovaleric acid (ketoleucine) [(M-H)+(HCOOH)]- C7H11O5 176.069025 C18rt(min)=5.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0249 2-isopropylmalic acid [(M-H)]- C7H11O5 176.069025 C18rt(min)=5.52 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0250 3-methyl-2-oxovaleric acid [(M-H)+(HCOOH)]- C7H11O5 176.069025 C18rt(min)=5.37 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0251 4-methyl-2-oxovaleric acid (ketoleucine) [(M-H)+(HCOOH)]- C7H11O5 176.069025 C18rt(min)=5.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +PJ000023 GT C6H12N2O4 176.0797 NA PeJP NA NA +MJ004621 N4-(2-Hydroxyethyl)asparagine C6H12N2O4 176.079706 NA MeJP NA NA +C06359 Ethyl cinnamate C11H12O2 176.0837 NA KEGG NA NA +C08453 Lachnophyllum ester C11H12O2 176.0837 NA KEGG NA NA +C10389 Prenylbenzoquinone C11H12O2 176.0837 NA KEGG NA NA +C12299 Cinnamyl acetate C11H12O2 176.0837 NA KEGG NA NA +C14083 cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene C11H12O2 176.0837 NA KEGG NA NA +C14102 cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene C11H12O2 176.0837 NA KEGG NA NA +C14111 5,6,7,8-Tetrahydro-2-naphthoic acid C11H12O2 176.0837 NA KEGG NA NA +MJ004622 2,2-Dimethyl-2H-1-benzopyran-6-ol C11H12O2 176.083729 NA MeJP NA NA +MJ004623 2,3-Dihydro-2,6-dimethyl-4H-1-benzopyran-4-one C11H12O2 176.083729 NA MeJP NA NA +MJ004624 2-(3-Methyl-2-butenyl)-1,4-benzenediol; Quinone C11H12O2 176.083729 NA MeJP NA NA +MJ004625 2-Decene-4,6-diynoic acid, Me ester C11H12O2 176.083729 NA MeJP NA NA +MJ004626 2-Methyl-1-phenyl-3-butyne-1,2-diol C11H12O2 176.083729 NA MeJP NA NA +MJ004627 3-Phenyl-2-propen-1-ol, Ac C11H12O2 176.083729 NA MeJP NA NA +MJ004628 3-Phenyl-2-propenoic acid, Et ester C11H12O2 176.083729 NA MeJP NA NA +MJ004629 5,6-Undecadiene-8,10-diyne-1,3-diol C11H12O2 176.083729 NA MeJP NA NA +MJ004630 5,6-Undecadiene-8,10-diyne-1,4-diol C11H12O2 176.083729 NA MeJP NA NA +MJ004631 5-Methoxy-6,7-dimethylbenzofuran C11H12O2 176.083729 NA MeJP NA NA +MJ004632 5-Phenyl-3-pentenoic acid C11H12O2 176.083729 NA MeJP NA NA +MJ004633 8-Decene-4,6-diynoic acid, Me ester C11H12O2 176.083729 NA MeJP NA NA +MJ004634 Chestersiene C11H12O2 176.083729 NA MeJP NA NA +MetaCyc01458 8-thio-octanoate [] C8H16O2S1 176.0871 NA metacyc NA NA +MetaCyc01459 6-thio-octanoate [] C8H16O2S1 176.0871 NA metacyc NA NA +C00308 Canavanine C5H12N4O3 176.0909 NA KEGG NA NA +HMDB02706 Canavanine C5H12N4O3 176.09094 http://www.hmdb.ca/metabolites/HMDB02706 HMDB NA NA +MJ004635 Canavanine C5H12N4O3 176.09094 NA MeJP NA NA +MetaCyc01460 canavanine [L-canavanine;2-amino-4-(guanidinooxy)butyrate;2-amino-4-(guanidinooxy)butyric acid;] C5H12N4O3 176.09094 543-38-4 metacyc NA NA +HMDB02706 Canavanine C5H12N4O3 176.09094 HMDB02706 PFEM_hmdb_metabocards_official NA NA +HMDB02706 Canavanine C5H12N4O3 176.090942 NA HMDB2010 NA NA +CJpos0422 Serotonin [(M+H)]+ C10H13N2O 176.094375 C18rt(min)=4.15 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0423 Cotinine [(M+H)]+ C10H13N2O 176.094375 C18rt(min)=1.08 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0422 Serotonin [(M+H)]+ C10H13N2O 176.094375 C18rt(min)=4.15 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0423 Cotinine [(M+H)]+ C10H13N2O 176.094375 C18rt(min)=1.08 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +LABER077 Serotonine C10H12N2O 176.094955 RT 2.64 fragt PFEM_hmdb_metabocards_urine NA urine +LABER077 Serotonine C10H12N2O 176.094955 RT 2.64 fragt BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER077 Serotonine C10H12N2O 176.094955 RT 2.64 fragt Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER077 Serotonine C10H12N2O 176.094955 RT 2.64 fragt banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER077 Serotonine C10H12N2O 176.094955 RT 2.64 fragt HMDB NA NA +HMDB00259 Serotonin C10H12N2O 176.094955 NA HMDB2010 NA NA +HMDB01046 Cotinine C10H12N2O 176.094955 NA HMDB2010 NA NA +LABER077 Serotonine C10H12N2O 176.094955 RT 2.64 fragt Inhouse_PFEM NA NA +LABER077 Serotonine C10H12N2O 176.094955 RT 2.64 fragt Inhousejuil11 NA NA +LABER077 Serotonine C10H12N2O 176.094955 RT 2.64 fragt PFEM_hmdb_metabocards_blood NA blood +LABER077 Serotonine C10H12N2O 176.094955 RT 2.64 fragt PFEM_hmdb_metabocards_official NA NA +HMDB00259 Serotonin C10H12N2O 176.09496 http://www.hmdb.ca/metabolites/HMDB00259 PFEM_hmdb_metabocards_urine NA urine +HMDB00259 Serotonin C10H12N2O 176.09496 http://www.hmdb.ca/metabolites/HMDB00259 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01046 Cotinine C10H12N2O 176.09496 http://www.hmdb.ca/metabolites/HMDB01046 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00259 Serotonin C10H12N2O 176.09496 http://www.hmdb.ca/metabolites/HMDB00259 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00259 Serotonin C10H12N2O 176.09496 http://www.hmdb.ca/metabolites/HMDB00259 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00259 Serotonin C10H12N2O 176.09496 http://www.hmdb.ca/metabolites/HMDB00259 HMDB NA NA +HMDB01046 Cotinine C10H12N2O 176.09496 http://www.hmdb.ca/metabolites/HMDB01046 HMDB NA NA +HMDB00259 Serotonin C10H12N2O 176.09496 http://www.hmdb.ca/metabolites/HMDB00259 PFEM_hmdb_metabocards_blood NA blood +HMDB01046 Cotinine C10H12N2O 176.09496 http://www.hmdb.ca/metabolites/HMDB01046 PFEM_hmdb_metabocards_blood NA blood +HMDB00259 Serotonin C10H12N2O 176.09496 HMDB00259 PFEM_hmdb_metabocards_official NA NA +HMDB01046 Cotinine C10H12N2O 176.09496 HMDB01046 PFEM_hmdb_metabocards_official NA NA +MJ004636 3-(2-Aminoethyl)-1H-indol-5-ol C10H12N2O 176.094963 NA MeJP NA NA +MJ004637 3-(2-Pyrrolidinyl)pyridine, N-Formyl C10H12N2O 176.094963 NA MeJP NA NA +MJ004638 5-Hydroxytryptamine C10H12N2O 176.094963 NA MeJP NA NA +MJ004639 Cotinine C10H12N2O 176.094963 NA MeJP NA NA +MetaCyc01461 serotonin [5-methoxytryptamine;5-HT;hydroxytryptamine;5-hydroxytryptamine;] C10H12N2O1 176.094963 50-67-9 metacyc NA NA +MetaCyc01462 N-hydroxyl-tryptamine [] C10H12N2O1 176.094963 NA metacyc NA NA +MetaCyc01463 cotinine [] C10H12N2O1 176.094963 NA metacyc NA NA +EUR199 Serotonin C10H12N2O 176.095 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR199 Serotonin C10H12N2O 176.095 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR199 Serotonin C10H12N2O 176.095 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR199 Serotonin C10H12N2O 176.095 Wishlist Inhousejuil11 NA NA +C00780 Serotonin C10H12N2O 176.095 NA KEGG NA NA +C17203 N-Hydroxyl-tryptamine C10H12N2O 176.095 NA KEGG NA NA +EUR335 Serotonine F1 NA 176.095575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR335 Serotonine F1 NA 176.095575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR335 Serotonine F1 NA 176.095575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR335 Serotonine F1 NA 176.095575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR335 Serotonine F1 NA 176.095575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR335 Serotonine F1 NA 176.095575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR335 Serotonine F1 NA 176.095575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR335 Serotonine F1 NA 176.095575 standards wishlist analysés sur QTOF HMDB NA NA +EUR335 Serotonine F1 NA 176.095575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR335 Serotonine F1 NA 176.095575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR335 Serotonine F1 NA 176.095575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR335 Serotonine F1 NA 176.095575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ004640 1,2,6-Trihydroxy-2-methyl-4-heptanone C8H16O4 176.104859 NA MeJP NA NA +MJ004641 2,3-Dihydroxy-2-isopropylbutanoic acid, O3-Me C8H16O4 176.104859 NA MeJP NA NA +MJ004642 2,6-Dideoxy-3-C-methyl-3-O-methyl-ribo-hexose C8H16O4 176.104859 NA MeJP NA NA +MJ004643 2,6-Dideoxy-3-C-methyl-xylo-hexose, 3-Me C8H16O4 176.104859 NA MeJP NA NA +MJ004644 2,6-Dideoxy-3-O-methyl-lyxo-hexose; ?-D-Pyranose-form, Me glycoside C8H16O4 176.104859 NA MeJP NA NA +MJ004645 2,6-Dideoxy-arabino-hexose, O3-Et C8H16O4 176.104859 NA MeJP NA NA +MJ004646 5-Hydroxy-4-hydroxymethyl-2-propyl-1,3-dioxane C8H16O4 176.104859 NA MeJP NA NA +C11917 L-Cladinose C8H16O4 176.1049 NA KEGG NA NA +MJ004647 1,3-Diamino-1,2,3-trideoxy-myo-inositol; N-Me C7H16N2O3 176.116092 NA MeJP NA NA +MJ004648 3,6-Diamino-5-hydroxyheptanoic acid C7H16N2O3 176.116092 NA MeJP NA NA +MJ004649 11,12,13-Trinor-6,9-eremophiladien-8-one C12H16O 176.120115 NA MeJP NA NA +MJ004650 11-Dodecene-2,4-diyn-1-ol C12H16O 176.120115 NA MeJP NA NA +MJ004651 4-(4-Methylphenyl)-2-pentanone C12H16O 176.120115 NA MeJP NA NA +MJ004652 5,6,7,8-Tetrahydro-8-methyl-2-naphthalenol; Me ether C12H16O 176.120115 NA MeJP NA NA +MJ004653 2,5-Dimethyl-3-(3-methyl-2-butenyl)pyrazine C11H16N2 176.131348 NA MeJP NA NA +MJ004654 3-(2-Piperidinyl)pyridine, N-Me C11H16N2 176.131348 NA MeJP NA NA +MJ004655 3-(2-Pyrrolidinyl)pyridine, N-Et C11H16N2 176.131348 NA MeJP NA NA +MJ004656 1,2,3,4,6,7,8,9-Octahydrodipyrido[1,2-a:1',2'-c]imidazol-10-ium(1+) C11H17N2(+) 176.131348 NA MeJP NA NA +MJ004657 3,5,7,9-Tridecatetraene C13H20 176.1565 NA MeJP NA NA +MJ004658 4,6,8-Megastigmatriene C13H20 176.1565 NA MeJP NA NA +8035 synthetic peptide PHT 176.5785 MH2+ Inhouse_peptide NA peptide +MetaCyc01464 pyrophosphate-group [] H3O7P2 176.9354 NA metacyc NA NA +MJ004659 2-(2-Hydroxyphenyl)thiazole C9H7NOS 177.024834 NA MeJP NA NA +MJ004660 2-Amino-1,1,2-ethanetricarboxylic acid C5H7NO6 177.027336 NA MeJP NA NA +MJ004661 1-Isothiocyanato-4-(methylsulfinyl)butane C6H11NOS2 177.028205 NA MeJP NA NA +HMDB05792 Sulforaphane C6H11NOS2 177.02821 http://www.hmdb.ca/metabolites/HMDB05792 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05792 Sulforaphane C6H11NOS2 177.02821 http://www.hmdb.ca/metabolites/HMDB05792 HMDB NA NA +HMDB05792 Sulforaphane C6H11NOS2 177.02821 http://www.hmdb.ca/metabolites/HMDB05792 PFEM_hmdb_metabocards_blood NA blood +HMDB05792 Sulforaphane C6H11NOS2 177.02821 HMDB05792 PFEM_hmdb_metabocards_official NA NA +HMDB05792 Sulforaphane C6H11NOS2 177.028214 NA HMDB2010 NA NA +HMDB06899 Alanylglycine C5H9N2O3S 177.03339 http://www.hmdb.ca/metabolites/HMDB06899 HMDB NA NA +HMDB06899 Alanylglycine C5H9N2O3S 177.03339 HMDB06899 PFEM_hmdb_metabocards_official NA NA +CJneg0252 Ascorbic acid [M-H]- (13C) C5[13]CH7O6 177.036025 C18rt(min)=1.04 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0252 Ascorbic acid [M-H]- (13C) C5[13]CH7O6 177.036025 C18rt(min)=1.04 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +JH140 Xanthurenic acid [M+H-CO]+ NA 177.042 12.46 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH140 Xanthurenic acid [M+H-CO]+ NA 177.042 12.46 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH140 Xanthurenic acid [M+H-CO]+ NA 177.042 12.46 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH140 Xanthurenic acid [M+H-CO]+ NA 177.042 12.46 Inhousejuil11 NA NA +CJpos0424 ?-hydroxyhippuric acid [(M+H)-(H2O)]+ C9H8NO3 177.042075 C18rt(min)=5.18 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0425 Xanthurenic acid [(M+H)-(CO)]+ C9H8NO3 177.042075 C18rt(min)=5.11 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0424 ?-hydroxyhippuric acid [(M+H)-(H2O)]+ C9H8NO3 177.042075 C18rt(min)=5.18 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0425 Xanthurenic acid [(M+H)-(CO)]+ C9H8NO3 177.042075 C18rt(min)=5.11 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ004662 4-Acetyl-2(3H)-benzoxazolone C9H7NO3 177.042593 NA MeJP NA NA +MJ004663 5-Methoxy-1H-indole-4,7-dione C9H7NO3 177.042593 NA MeJP NA NA +MJ004664 6,8-Dihydroxy-1(2H)-isoquinolinone C9H7NO3 177.042593 NA MeJP NA NA +MJ004665 6-Methoxy -1H-indole-4,7-dione C9H7NO3 177.042593 NA MeJP NA NA +MJ004666 Dermadin C9H7NO3 177.042593 NA MeJP NA NA +MJ004667 Isonitrinic acid E C9H7NO3 177.042593 NA MeJP NA NA +HMDB01015 N-Formyl-L-methionine C6H11NO3S 177.045959 NA HMDB2010 NA NA +HMDB01015 N-Formyl-L-methionine C6H11NO3S 177.04596 http://www.hmdb.ca/metabolites/HMDB01015 HMDB NA NA +HMDB01015 N-Formyl-L-methionine C6H11NO3S 177.04596 HMDB01015 PFEM_hmdb_metabocards_official NA NA +MJ004668 N-Formyl-L-methionine C6H11NO3S 177.045963 NA MeJP NA NA +MJ004669 Alliin; (R)C(S)S-form C6H11NO3S 177.045963 NA MeJP NA NA +MJ004670 Cycloalliin C6H11NO3S 177.045963 NA MeJP NA NA +MJ004671 Entadamide A, S-Oxide (R-) C6H11NO3S 177.045963 NA MeJP NA NA +MJ004672 Methionine, N-Formyl C6H11NO3S 177.045963 NA MeJP NA NA +MJ004673 S-(1-Propenyl)cysteine, S-Oxide C6H11NO3S 177.045963 NA MeJP NA NA +MetaCyc01465 N-formyl-L-methionine [fMet;N-formyl-methionine;formylmethionine;] C6H11N1O3S1 177.045964 4289-98-9 metacyc NA NA +C03145 N-Formyl-L-methionine C6H11NO3S 177.046 NA KEGG NA NA +C08265 Alliin C6H11NO3S 177.046 NA KEGG NA NA +C08295 S-[(E)-Prop-1-enyl]-L-cysteine S-oxide C6H11NO3S 177.046 NA KEGG NA NA +CJneg0253 N-Formylmethionine [(M-H)]- C6H10NO3S 177.046525 C18rt(min)=5.13 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0254 N-Formylmethionine isomer [(M-H)]- C6H10NO3S 177.046525 C18rt(min)=4.64 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0253 N-Formylmethionine [(M-H)]- C6H10NO3S 177.046525 C18rt(min)=5.13 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0254 N-Formylmethionine isomer [(M-H)]- C6H10NO3S 177.046525 C18rt(min)=4.64 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +JH049 Histidine [M+Na]+ NA 177.0497 1.03 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH049 Histidine [M+Na]+ NA 177.0497 1.03 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH049 Histidine [M+Na]+ NA 177.0497 1.03 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH049 Histidine [M+Na]+ NA 177.0497 1.03 Inhousejuil11 NA NA +CJpos0426 Histidine (and isomer) [M+Na]+ C6H9O2N3Na 177.050875 C18rt(min)=0.83 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0426 Histidine (and isomer) [M+Na]+ C6H9O2N3Na 177.050875 C18rt(min)=0.83 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ004674 1-Isothiocyanato-3-phenylpropane C10H11NS 177.06122 NA MeJP NA NA +C06034 4-Hydroxy-4-methylglutamate C6H11NO5 177.0637 NA KEGG NA NA +C17576 3-Keto-scyllo-inosamine C6H11NO5 177.0637 NA KEGG NA NA +MJ004675 2,2'-Iminobispropanoic acid, N-Hydroxy C6H11NO5 177.063722 NA MeJP NA NA +MJ004676 2-Amino-3-hydroxy-4-methylpentanedioic acid C6H11NO5 177.063722 NA MeJP NA NA +MJ004677 2-Amino-4-hydroxy-4-methylpentanedioic acid C6H11NO5 177.063722 NA MeJP NA NA +MJ004678 3,4,5-Trihydroxy-2-piperidinecarboxylic acid C6H11NO5 177.063722 NA MeJP NA NA +MJ004679 3-Amino-3,4-dideoxy-xylo-hexuronic acid C6H11NO5 177.063722 NA MeJP NA NA +MJ004680 4-Hydroxy-4-methylglutamate C6H11NO5 177.063722 NA MeJP NA NA +CJneg0255 2-isopropylmalic acid [(M-H)]- (13C) C613CH11O5 177.072425 C18rt(min)=5.52 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0256 3-methyl-2-oxovaleric acid [(M-H)+(HCOOH)]- (13C) C613CH11O5 177.072425 C18rt(min)=5.37 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0257 4-methyl-2-oxovaleric acid (ketoleucine) [(M-H)+(HCOOH)]- (13C) C613CH11O5 177.072425 C18rt(min)=5.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0255 2-isopropylmalic acid [(M-H)]- (13C) C613CH11O5 177.072425 C18rt(min)=5.52 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0256 3-methyl-2-oxovaleric acid [(M-H)+(HCOOH)]- (13C) C613CH11O5 177.072425 C18rt(min)=5.37 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0257 4-methyl-2-oxovaleric acid (ketoleucine) [(M-H)+(HCOOH)]- (13C) C613CH11O5 177.072425 C18rt(min)=5.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +HMDB12271 O-Ureidohomoserine C5H11N3O4 177.074951 NA HMDB2010 NA NA +MetaCyc01466 O-ureidohomoserine [] C5H11N3O4 177.074956 NA metacyc NA NA +MJ004681 2-(4-Hydroxyphenyl)ethenamine; N-Ac C10H11NO2 177.078978 NA MeJP NA NA +MJ004682 3-(2-Methylphenyl)-3-oxopropanamide C10H11NO2 177.078978 NA MeJP NA NA +MJ004683 5-(3-Butenyl)-2-pyridinecarboxylic acid C10H11NO2 177.078978 NA MeJP NA NA +MJ004684 5-Hydroxy-3-(2-hydroxyethyl)indole C10H11NO2 177.078978 NA MeJP NA NA +MJ004685 Boschniakinic acid C10H11NO2 177.078978 NA MeJP NA NA +MJ004686 Euphrosine C10H11NO2 177.078978 NA MeJP NA NA +MJ004687 N-[2-(4-Hydroxyphenyl)ethenyl]formamide; Me ether C10H11NO2 177.078978 NA MeJP NA NA +MJ004688 Pedicularidine; Carboxylic acid C10H11NO2 177.078978 NA MeJP NA NA +HMDB01855 5-Hydroxytryptophol C10H11NO2 177.078979 NA HMDB2010 NA NA +MetaCyc01467 indole-3-glycol [] C10H11N1O2 177.078979 NA metacyc NA NA +HMDB01855 5-Hydroxytryptophol C10H11NO2 177.07898 http://www.hmdb.ca/metabolites/HMDB01855 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01855 5-Hydroxytryptophol C10H11NO2 177.07898 http://www.hmdb.ca/metabolites/HMDB01855 HMDB NA NA +HMDB01855 5-Hydroxytryptophol C10H11NO2 177.07898 http://www.hmdb.ca/metabolites/HMDB01855 PFEM_hmdb_metabocards_blood NA blood +HMDB01855 5-Hydroxytryptophol C10H11NO2 177.07898 HMDB01855 PFEM_hmdb_metabocards_official NA NA +C17217 Dihomomethionine C7H15NO2S 177.0823 NA KEGG NA NA +C16452 N'-Nitrosonornicotine C9H11N3O 177.0902 NA KEGG NA NA +MJ004689 N-(4-Chlorobutyl)butanamide C8H16ClNO 177.092041 NA MeJP NA NA +7793 Antioxidant peptide derived from egg ovalbumin AHK 177.0945 MH2+ Inhouse_peptide NA peptide +C16994 Anthopleurine C7H15NO4 177.1001 NA KEGG NA NA +MJ004690 2-(2-Hydroxyethyl)-5-(hydroxymethyl)-3,4-pyrrolidinediol C7H15NO4 177.100107 NA MeJP NA NA +MJ004691 2-(Hydroxymethyl)-3,4,5-piperidinetriol, N-Me C7H15NO4 177.100107 NA MeJP NA NA +MJ004692 2-Amino-4,5-dihydroxy-3,4-dimethylpentanoic acid C7H15NO4 177.100107 NA MeJP NA NA +MJ004693 3-Deoxy-3-(methylamino)arabinose; ?-L-Pyranose-form, Me glycoside C7H15NO4 177.100107 NA MeJP NA NA +MJ004694 4-Amino-2,3-dihydroxybutanoic acid, N,N,N-Tri-Me, betaine C7H15NO4 177.100107 NA MeJP NA NA +MJ004695 4-Amino-6-hydroxymethyl-1,2,3-cyclohexanetriol C7H15NO4 177.100107 NA MeJP NA NA +MJ004696 Garosamine C7H15NO4 177.100107 NA MeJP NA NA +MetaCyc01468 validamine [1D-1-amino-1,5,6-trideoxy-5-(hydroxymethyl)-chiro-inositol;] C7H15N1O4 177.100108 32780-32-8 metacyc NA NA +MJ004697 1,2,3,4-Tetrahydro-ar-methoxy-1-methylisoquinoline C11H15NO 177.115364 NA MeJP NA NA +MJ004698 3-Methyl-2-phenylmorpholine C11H15NO 177.115364 NA MeJP NA NA +MJ004699 4-Amino-1-phenyl-1-penten-3-ol C11H15NO 177.115364 NA MeJP NA NA +MJ004700 Metamfepramone C11H15NO 177.115364 NA MeJP NA NA +MJ004701 Valerianine C11H15NO 177.115364 NA MeJP NA NA +C07432 Phenmetrazine C11H15NO 177.1154 NA KEGG NA NA +C09991 Valerianine C11H15NO 177.1154 NA KEGG NA NA +MJ004702 1-Benzyl-2,3-dimethylguanidine C10H15N3 177.126597 NA MeJP NA NA +MJ004703 2-Methyl-3-(1-piperidinyl)pyrazine C10H15N3 177.126597 NA MeJP NA NA +MetaCyc01469 nicotine isomethonium ion [N-methylnicotinium ion;] C11H17N2 177.139174 NA metacyc NA NA +HMDB01009 N-Methylnicotinium C11H17N2 177.139175 NA HMDB2010 NA NA +HMDB01009 N-Methylnicotinium C11H17N2 177.13918 http://www.hmdb.ca/metabolites/HMDB01009 HMDB NA NA +HMDB01009 N-Methylnicotinium C11H17N2 177.13918 HMDB01009 PFEM_hmdb_metabocards_official NA NA +8000 synthetic peptide LHS 177.587 MH2+ Inhouse_peptide NA peptide +MetaCyc01470 Fe2S2 iron-sulfur cluster [iron-sulfur center;2Fe-2S iron-sulfur cluster;2Fe-2S center;2Fe-2S cluster;2Fe-2S;Fe2S2;iron(2+) cation; iron; sulfanide;Fe2S2 iron-sulfur center;] H2S2FE2 177.829676 NA metacyc NA NA +MJ004704 4,5-Dichloro-2,2-difluoro-1,3-dioxolane C3H2Cl2F2O2 177.939991 NA MeJP NA NA +C00013 Diphosphate P2H4O7 177.9432 NA KEGG NA NA +MJ004705 Pyrophosphate H4O7P2 177.943225 NA MeJP NA NA +MetaCyc01471 diphosphate [PPi;PP;pyrophosphate;] H4O7P2 177.943226 09/03/2466 metacyc NA NA +HMDB00250 Pyrophosphate H4O7P2 177.94324 http://www.hmdb.ca/metabolites/HMDB00250 PFEM_hmdb_metabocards_urine NA urine +HMDB00250 Pyrophosphate H4O7P2 177.94324 http://www.hmdb.ca/metabolites/HMDB00250 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00250 Pyrophosphate H4O7P2 177.94324 http://www.hmdb.ca/metabolites/HMDB00250 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00250 Pyrophosphate H4O7P2 177.94324 http://www.hmdb.ca/metabolites/HMDB00250 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00250 Pyrophosphate H4O7P2 177.94324 http://www.hmdb.ca/metabolites/HMDB00250 HMDB NA NA +HMDB00250 Pyrophosphate H4O7P2 177.94324 http://www.hmdb.ca/metabolites/HMDB00250 PFEM_hmdb_metabocards_blood NA blood +HMDB00250 Pyrophosphate H4O7P2 177.94324 HMDB00250 PFEM_hmdb_metabocards_official NA NA +C02933 3,5-Dichlorocatechol C6H4Cl2O2 177.9588 NA KEGG NA NA +C06600 2,5-Dichlorohydroquinone C6H4Cl2O2 177.9588 NA KEGG NA NA +C07094 3,6-Dichlorocatechol C6H4Cl2O2 177.9588 NA KEGG NA NA +C07097 2,6-Dichlorohydroquinone C6H4Cl2O2 177.9588 NA KEGG NA NA +MJ004706 2,5-Dichlorohydroquinone C6H4Cl2O2 177.958834 NA MeJP NA NA +MJ004707 2,6-Dichlorohydroquinone C6H4Cl2O2 177.958834 NA MeJP NA NA +MJ004708 3,5-Dichlorocatechol C6H4Cl2O2 177.958834 NA MeJP NA NA +MJ004709 3,6-Dichlorocatechol C6H4Cl2O2 177.958834 NA MeJP NA NA +MetaCyc01472 2,6-dichloro-p-hydroquinone [2,6-DiCH;DiCH;] C6H4O2CL2 177.958835 NA metacyc NA NA +MetaCyc01473 2,5-dichlorohydroquinone [2,5-DCHQ;] C6H4O2CL2 177.958835 824-69-1 metacyc NA NA +MetaCyc01474 3,6-dichlorocatechol [3,6-Dichloro-1,2-benzenediol;3,6-Dichloro-1,2-dihydroxybenzene;3,6-Dichloropyrocatechol;Pyrocatechol;] C6H4O2CL2 177.958835 NA metacyc NA NA +MetaCyc01475 3,5-dichlorocatechol [] C6H4O2CL2 177.958835 13673-92-2 metacyc NA NA +EUR651 Selenomethionine [M+H-H2O]+ NA 177.973775 1.31 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR651 Selenomethionine [M+H-H2O]+ NA 177.973775 1.31 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR651 Selenomethionine [M+H-H2O]+ NA 177.973775 1.31 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR651 Selenomethionine [M+H-H2O]+ NA 177.973775 1.31 Inhousejuil11 NA NA +MJ004710 1-Chloro-1,2,2,3-tetrafluoro-3-methoxycyclopropane C4H3ClF4O 177.980855 NA MeJP NA NA +MJ004711 Di-2-propenyl trisulfide C6H10S3 177.994462 NA MeJP NA NA +C11582 2-Chlorophenylhydrazine hydrochloride C6H7ClN2 178.0065 NA KEGG NA NA +MJ004712 Acivicin C5H7ClN2O3 178.014519 NA MeJP NA NA +C03093 7,8-Dihydroxycoumarin C9H6O4 178.0266 NA KEGG NA NA +C03094 Acylaminoacyl-peptide C9H6O4 178.0266 NA KEGG NA NA +C03095 N-Aminoacyl-L-histidine C7H8N3O3R 178.0266 NA KEGG NA NA +C09001 5,7-Dihydroxychromone C9H6O4 178.0266 NA KEGG NA NA +C09263 Esculetin C9H6O4 178.0266 NA KEGG NA NA +C16828 Caffeoquinone C9H6O4 178.0266 NA KEGG NA NA +MJ004713 3,7-Dihydroxy-2H-1-benzopyran-2-one C9H6O4 178.026608 NA MeJP NA NA +MJ004714 4,7-Dihydroxy-2H-1-benzopyran-2-one C9H6O4 178.026608 NA MeJP NA NA +MJ004715 5,7-Dihydroxy-2H-1-benzopyran-2-one C9H6O4 178.026608 NA MeJP NA NA +MJ004716 5,7-Dihydroxy-4H-1-benzopyran-4-one C9H6O4 178.026608 NA MeJP NA NA +MJ004717 6,7-Dihydroxy-2H-1-benzopyran-2-one C9H6O4 178.026608 NA MeJP NA NA +MJ004718 6,7-Methylenedioxyphthalide C9H6O4 178.026608 NA MeJP NA NA +MJ004719 7,8-Dihydroxy-2H-1-benzopyran-2-one C9H6O4 178.026608 NA MeJP NA NA +MJ004720 Caffeoquinone C9H6O4 178.026608 NA MeJP NA NA +MetaCyc01476 7,8-dihydroxycoumarin [] C9H6O4 178.026609 486-35-1 metacyc NA NA +C15415 1-Phenyl-5-mercaptotetrazole C7H6N4S 178.0313 NA KEGG NA NA +C01419 Cys-Gly C5H10N2O3S 178.0412 NA KEGG NA NA +PJ000024 GC C5H10N2O3S 178.0412 NA PeJP NA NA +HMDB00078 Cysteinylglycine C5H10N2O3S 178.04121 http://www.hmdb.ca/metabolites/HMDB00078 PFEM_hmdb_metabocards_urine NA urine +HMDB00078 Cysteinylglycine C5H10N2O3S 178.04121 http://www.hmdb.ca/metabolites/HMDB00078 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00078 Cysteinylglycine C5H10N2O3S 178.04121 http://www.hmdb.ca/metabolites/HMDB00078 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00078 Cysteinylglycine C5H10N2O3S 178.04121 http://www.hmdb.ca/metabolites/HMDB00078 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00078 Cysteinylglycine C5H10N2O3S 178.04121 http://www.hmdb.ca/metabolites/HMDB00078 HMDB NA NA +HMDB00078 Cysteinylglycine C5H10N2O3S 178.04121 NA ;SYN:(+)-pyridinoline; 1-(2S)-(+)-pyridinoline; 4-((2S)-2-amino-2-carboxyethyl)-1-((2R,5S)-5-amino-5-carboxy-2-hydroxypentyl)-3-((3S)-3-amino-3-carboxypropyl)-5-hydroxy-Pyridinium inner salt; Hydroxylysylpyridinoline; PyridinolineH2Blood; Urine Inhouse_peptide NA peptide +HMDB00078 Cysteinylglycine C5H10N2O3S 178.04121 http://www.hmdb.ca/metabolites/HMDB00078 PFEM_hmdb_metabocards_blood NA blood +HMDB00078 Cysteinylglycine C5H10N2O3S 178.04121 HMDB00078 PFEM_hmdb_metabocards_official NA NA +MJ004721 Cys-Gly C5H10N2O3S 178.041212 NA MeJP NA NA +MetaCyc01477 Cys-Gly [] C5H10N2O3S1 178.041213 NA metacyc NA NA +HMDB00078 Cysteinylglycine C5H10N2O3S 178.041214 NA HMDB2010 NA NA +MJ004722 1-Tridecene-3,5,7,9,11-pentayne; 1,2S-Epoxide C13H6O 178.041864 NA MeJP NA NA +MJ004723 2,12-Tridecadiene-4,6,8,10-tetrayn-1-ol; Aldehyde C13H6O 178.041864 NA MeJP NA NA +C00198 D-Glucono-1,5-lactone C6H10O6 178.0477 NA KEGG NA NA +C00204 2-Dehydro-3-deoxy-D-gluconate C6H10O6 178.0477 NA KEGG NA NA +C00205 hn C6H10O6 178.0477 NA KEGG NA NA +C00273 5-Dehydro-D-fructose C6H10O6 178.0477 NA KEGG NA NA +C00691 2,4,6/3,5-Pentahydroxycyclohexanone C6H10O6 178.0477 NA KEGG NA NA +C01040 L-Gulono-1,4-lactone C6H10O6 178.0477 NA KEGG NA NA +C01115 L-Galactono-1,4-lactone C6H10O6 178.0477 NA KEGG NA NA +C01117 Nucleoside 5'-phosphate C5H10O7PR 178.0477 NA KEGG NA NA +C01216 2-Dehydro-3-deoxy-D-galactonate C6H10O6 178.0477 NA KEGG NA NA +C02669 D-Galactono-1,5-lactone C6H10O6 178.0477 NA KEGG NA NA +C02692 Hexose-1,5-lactone C6H10O6 178.0477 NA KEGG NA NA +C02779 2-Dehydro-D-glucose C6H10O6 178.0477 NA KEGG NA NA +C03107 D-Glucono-1,4-lactone C6H10O6 178.0477 NA KEGG NA NA +C03269 D-galacto-Hexodialdose C6H10O6 178.0477 NA KEGG NA NA +C03272 Globoside C45H79N2O23R 178.0477 NA KEGG NA NA +C03383 D-Galactono-1,4-lactone C6H10O6 178.0477 NA KEGG NA NA +C03926 3-Dehydro-2-deoxy-D-gluconate C6H10O6 178.0477 NA KEGG NA NA +C03932 5-Dehydro-2-deoxy-D-gluconate C6H10O6 178.0477 NA KEGG NA NA +C03933 5-D-Glutamyl-D-glutamyl-peptide C10H16N3O6R 178.0477 NA KEGG NA NA +C05394 3-Keto-beta-D-galactose C6H10O6 178.0477 NA KEGG NA NA +C05410 Gulono-1,4-lactone C6H10O6 178.0477 NA KEGG NA NA +C06892 2-Deoxy-5-keto-D-gluconic acid C6H10O6 178.0477 NA KEGG NA NA +C16737 5-Deoxy glucuronic acid C6H10O6 178.0477 NA KEGG NA NA +C16738 Sulfuric monoester HSO4R 178.0477 NA KEGG NA NA +C16739 L-Arginyl-protein C8H16N5O3R 178.0477 NA KEGG NA NA +C16740 Procollagen L-lysine C7H13N3O2R2 178.0477 NA KEGG NA NA +C17577 myo-Inosose-5 C6H10O6 178.0477 NA KEGG NA NA +MJ004724 1,4-Gluconolactone C6H10O6 178.047738 NA MeJP NA NA +MJ004725 Aceric acid C6H10O6 178.047738 NA MeJP NA NA +MJ004726 myo-Inosose 2 C6H10O6 178.047738 NA MeJP NA NA +MJ004727 ribo-Hexos-3-ulose C6H10O6 178.047738 NA MeJP NA NA +MJ004728 2,4,6/3,5-Pentahydroxycyclohexanone C6H10O6 178.047738 NA MeJP NA NA +MJ004729 D-Glucono-1,5-lactone C6H10O6 178.047738 NA MeJP NA NA +MJ004730 L-Galactono-1,4-lactone C6H10O6 178.047738 NA MeJP NA NA +MJ004731 L-Gulono-1,4-lactone C6H10O6 178.047738 NA MeJP NA NA +MJ004732 2-Dehydro-3-deoxy-D-gluconate C6H10O6 178.047738 NA MeJP NA NA +MJ004733 2-Dehydro-D-glucose C6H10O6 178.047738 NA MeJP NA NA +MJ004734 2-Deoxy-5-keto-D-gluconic acid C6H10O6 178.047738 NA MeJP NA NA +MJ004735 3-Keto-beta-D-galactose C6H10O6 178.047738 NA MeJP NA NA +MetaCyc01478 L-gulono-1,4-lactone [L-gulonolactone;gulonolactone;] C6H10O6 178.047738 NA metacyc NA NA +MetaCyc01479 glucono-δ-lactone [1,5-Gluconolactone;D-Gluconolactone;D-glucono-1,5-lactone;δ-gluconolactone;D-glucono-δ-lactone;Gluconic lactone;Gluconic acid lactone;] C6H10O6 178.047738 90-80-2 metacyc NA NA +MetaCyc01480 3-dehydro-2-deoxy-D-gluconate [3-dehydro-2-deoxy-gluconate;de-O-K-gluconate;2-deoxy-3-ketogluconate;2-deoxy-3-oxogluconate;deoxy-ketogluconate;2-deoxy-3-dehydro-D-gluconate;] C6H10O6 178.047738 91446-99-0 metacyc NA NA +MetaCyc01481 D-galactono-1,4-lactone [D-galactonolactone;D-galactono-γ-lactone;D-galactonic acid γ-lactone;γ-D-galactonolactone;D-(-)-galactonic acid γ-lactone;] C6H10O6 178.047738 07/02/2782 metacyc NA NA +MetaCyc01482 D-aldonolactone [] C6H10O6 178.047738 NA metacyc NA NA +MetaCyc01483 5-dehydro-2-deoxy-D-gluconate [2-deoxy-5-keto-D-gluconate;2-deoxy-5-keto-D-gluconic acid;] C6H10O6 178.047738 NA metacyc NA NA +MetaCyc01484 glucono-1,5-lactone [D-glucono-1,5-lactone;gluconolactone;] C6H10O6 178.047738 NA metacyc NA NA +MetaCyc01485 5-dehydro-D-fructose [] C6H10O6 178.047738 1684-29-3 metacyc NA NA +MetaCyc01486 L-galactono-1,4-lactone [L-galactono-γ-lactone;] C6H10O6 178.047738 1668-08-2 metacyc NA NA +MetaCyc01487 2-dehydro-D-glucose [] C6H10O6 178.047738 NA metacyc NA NA +MetaCyc01488 D-galacto-hexodialdose [] C6H10O6 178.047738 NA metacyc NA NA +MetaCyc01489 3-keto-β-D-galactose [3-dehydro-β-D-galactose;] C6H10O6 178.047738 NA metacyc NA NA +MetaCyc01490 2-dehydro-3-deoxy-D-gluconate [2-keto-3-deoxy-D-gluconate;3-deoxy-2-oxo-D-gluconate;2-keto-3-deoxygluconate;] C6H10O6 178.047738 17510-99-5 metacyc NA NA +MetaCyc01491 2-dehydro-3-deoxy-D-galactonate [2-keto-3-deoxy-D-galactonate;] C6H10O6 178.047738 NA metacyc NA NA +MetaCyc01492 2-keto-myo-inositol [Scyllo-inosine;2,4,6/3,5-Pentahydroxycyclohexanone;] C6H10O6 178.047738 NA metacyc NA NA +MetaCyc01493 myo-inosose [myo-inosose-2;myo-2-inosose;inosose;myo-Inosose;] C6H10O6 178.047738 488-64-2 metacyc NA NA +MetaCyc01494 glucono-γ-lactone [gluconic-acid-γ-lactone;gluconate-γ-lactone;L-glucono-1,4-lactone;] C6H10O6 178.047738 NA metacyc NA NA +MetaCyc01495 3-dehydro-α-D-glucose [3-keto-α-D-glucose;3-dehydro-α-glucose;] C6H10O6 178.047738 NA metacyc NA NA +HMDB00150 Gluconolactone C6H10O6 178.04774 http://www.hmdb.ca/metabolites/HMDB00150 HMDB NA NA +HMDB01353 2-Keto-3-deoxy-D-gluconic acid C6H10O6 178.04774 http://www.hmdb.ca/metabolites/HMDB01353 HMDB NA NA +HMDB01385 3-Keto-b-D-galactose C6H10O6 178.04774 http://www.hmdb.ca/metabolites/HMDB01385 HMDB NA NA +HMDB02541 Galactonolactone C6H10O6 178.04774 http://www.hmdb.ca/metabolites/HMDB02541 HMDB NA NA +HMDB03466 L-Gulonolactone C6H10O6 178.04774 http://www.hmdb.ca/metabolites/HMDB03466 HMDB NA NA +HMDB00150 Gluconolactone C6H10O6 178.04774 HMDB00150 PFEM_hmdb_metabocards_official NA NA +HMDB01353 2-Keto-3-deoxy-D-gluconic acid C6H10O6 178.04774 HMDB01353 PFEM_hmdb_metabocards_official NA NA +HMDB01385 3-Keto-b-D-galactose C6H10O6 178.04774 HMDB01385 PFEM_hmdb_metabocards_official NA NA +HMDB02541 Galactonolactone C6H10O6 178.04774 HMDB02541 PFEM_hmdb_metabocards_official NA NA +HMDB03466 L-Gulonolactone C6H10O6 178.04774 HMDB03466 PFEM_hmdb_metabocards_official NA NA +HMDB00150 Gluconolactone C6H10O6 178.047745 NA HMDB2010 NA NA +HMDB01353 2-Keto-3-deoxy-D-gluconic acid C6H10O6 178.047745 NA HMDB2010 NA NA +HMDB01385 3-Keto-b-D-galactose C6H10O6 178.047745 NA HMDB2010 NA NA +HMDB02541 Galactonolactone C6H10O6 178.047745 NA HMDB2010 NA NA +HMDB03466 L-Gulonolactone C6H10O6 178.047745 NA HMDB2010 NA NA +CJneg0258 Gluconic acid (and isomers) [(M-H)-(H2O)]- C6H9O6 178.048325 C18rt(min)=0.88 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0258 Gluconic acid (and isomers) [(M-H)-(H2O)]- C6H9O6 178.048325 C18rt(min)=0.88 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ004736 3-Amino-1,2,4-benzotriazine; 1,4-Dioxide C7H6N4O2 178.049075 NA MeJP NA NA +MJ004737 Ciapilome C7H6N4O2 178.049075 NA MeJP NA NA +MJ004738 Melizame C7H6N4O2 178.049075 NA MeJP NA NA +MetaCyc01496 N-acetylanthranilate [2-(acetylamino)-benzoate;] C9H8N1O3 178.050418 89-52-1 metacyc NA NA +MJ004739 2(1H)-Benzimidazolinethione; SH-form, S-Et C9H10N2S 178.056469 NA MeJP NA NA +MJ004740 3-Amino-1,2-benzisothiazole; N-Et C9H10N2S 178.056469 NA MeJP NA NA +JH127 Hydroferulic acid [M+H-H20]+ NA 178.06246 12.75 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH127 Hydroferulic acid [M+H-H20]+ NA 178.06246 12.75 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH127 Hydroferulic acid [M+H-H20]+ NA 178.06246 12.75 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH127 Hydroferulic acid [M+H-H20]+ NA 178.06246 12.75 Inhousejuil11 NA NA +HMDB02040 4-Methoxycinnamic acid C10H10O3 178.062988 NA HMDB2010 NA NA +HMDB02040 4-Methoxycinnamic acid C10H10O3 178.06299 http://www.hmdb.ca/metabolites/HMDB02040 HMDB NA NA +HMDB02040 4-Methoxycinnamic acid C10H10O3 178.06299 HMDB02040 PFEM_hmdb_metabocards_official NA NA +MJ004741 1-(3,4-Dihydroxyphenyl)-1-propanone; Methylene ether C10H10O3 178.062994 NA MeJP NA NA +MJ004742 10-Hydroxy-2-decene-4,6-diynoic acid C10H10O3 178.062994 NA MeJP NA NA +MJ004743 10-Hydroxy-8-decene-4,6-diynoic acid C10H10O3 178.062994 NA MeJP NA NA +MJ004744 2,3-Dihydro-5-hydroxy-2-methyl-4H-1-benzopyran-4-one C10H10O3 178.062994 NA MeJP NA NA +MJ004745 2,4-Diacetylphenol C10H10O3 178.062994 NA MeJP NA NA +MJ004746 3,4-Dihydro-3,8-dihydroxy-1(2H)-naphthalenone C10H10O3 178.062994 NA MeJP NA NA +MJ004747 3,4-Dihydro-8-hydroxy-3-methyl-2H-1-benzopyran-2-one C10H10O3 178.062994 NA MeJP NA NA +MJ004748 3-(3-Hydroxy-4-methoxyphenyl)-2-propenal C10H10O3 178.062994 NA MeJP NA NA +MJ004749 3-(4-Hydroxyphenyl)-2-propenoic acid, Me ester C10H10O3 178.062994 NA MeJP NA NA +MJ004750 3-(4-Hydroxyphenyl)-2-propenoic acid, Me ether C10H10O3 178.062994 NA MeJP NA NA +MJ004751 3-Ethyl-7-hydroxy-1(3H)-isobenzofuranone C10H10O3 178.062994 NA MeJP NA NA +MJ004752 3-Methyl-6-(1-methyl-1-propenyl)-2H-pyran-2-one, 3'-Oxo C10H10O3 178.062994 NA MeJP NA NA +MJ004753 4H-1-Benzopyran-6,7-diol; 6-Me ether C10H10O3 178.062994 NA MeJP NA NA +MJ004754 5-Acetyl-2-hydroxybenzaldehyde; Me ether C10H10O3 178.062994 NA MeJP NA NA +MJ004755 7-Hydroxy-4,6-dimethyl-1(3H)-isobenzofuranone C10H10O3 178.062994 NA MeJP NA NA +MJ004756 8-Hydroxy-2-decene-4,6-diynoic acid C10H10O3 178.062994 NA MeJP NA NA +MJ004757 9-Oxo-2,4,5,7-decatetraenoic acid C10H10O3 178.062994 NA MeJP NA NA +MJ004758 Coniferaldehyde C10H10O3 178.062994 NA MeJP NA NA +MJ004759 Isosclerone C10H10O3 178.062994 NA MeJP NA NA +MJ004760 Mellein C10H10O3 178.062994 NA MeJP NA NA +MJ004761 Sclerone C10H10O3 178.062994 NA MeJP NA NA +MJ004762 ?-Dolabrinol C10H10O3 178.062994 NA MeJP NA NA +MJ004763 Coniferyl aldehyde C10H10O3 178.062994 NA MeJP NA NA +MetaCyc01497 coniferyl aldehyde [4-hydroxy-3-methoxycinnamaldehyde;4-hydroxy-3-methoxycinnamic aldehyde;coniferaldehyde;] C10H10O3 178.062994 458-36-6 metacyc NA NA +C01624 Vermelone C10H10O3 178.063 NA KEGG NA NA +C02666 Coniferyl aldehyde C10H10O3 178.063 NA KEGG NA NA +C02667 Coproporphyrinogen C10H10O3 178.063 NA KEGG NA NA +C10667 3-Acetyl-6-methoxybenzaldehyde C10H10O3 178.063 NA KEGG NA NA +C14784 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydronaphthalene C10H10O3 178.063 NA KEGG NA NA +MJ004764 4-Dimethylsulfonio 2-methoxybutanoate C7H14O3S 178.066365 NA MeJP NA NA +MJ004765 5-Dimethylsulfonio 3-hydroxypentanoate C7H14O3S 178.066365 NA MeJP NA NA +CJneg0259 2-isopropylmalic acid [(M-H)]- (18O) C7H11O418O 178.073225 C18rt(min)=5.52 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0260 3-methyl-2-oxovaleric acid [(M-H)+(HCOOH)]- (18O) C7H11O418O 178.073225 C18rt(min)=5.37 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0261 4-methyl-2-oxovaleric acid (ketoleucine) [(M-H)+(HCOOH)]- (18O) C7H11O418O 178.073225 C18rt(min)=5.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0259 2-isopropylmalic acid [(M-H)]- (18O) C7H11O418O 178.073225 C18rt(min)=5.52 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0260 3-methyl-2-oxovaleric acid [(M-H)+(HCOOH)]- (18O) C7H11O418O 178.073225 C18rt(min)=5.37 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0261 4-methyl-2-oxovaleric acid (ketoleucine) [(M-H)+(HCOOH)]- (18O) C7H11O418O 178.073225 C18rt(min)=5.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C07428 Phenacemide C9H10N2O2 178.0742 NA KEGG NA NA +MJ004766 (Phenylacetyl)urea C9H10N2O2 178.074227 NA MeJP NA NA +MJ004767 2-Acetamidobenzoic acid; Amide C9H10N2O2 178.074227 NA MeJP NA NA +MetaCyc01498 4-oxo-4-(3-pyridyl)-butanamide [4-(3-pyridyl)-4-oxobutyramide;] C9H10N2O2 178.074228 NA metacyc NA NA +HMDB01267 4-Oxo-4-(3-pyridyl)-butanamide C9H10N2O2 178.07423 http://www.hmdb.ca/metabolites/HMDB01267 HMDB NA NA +HMDB04145 BOX B C9H10N2O2 178.07423 http://www.hmdb.ca/metabolites/HMDB04145 HMDB NA NA +HMDB04146 BOX A C9H10N2O2 178.07423 http://www.hmdb.ca/metabolites/HMDB04146 HMDB NA NA +HMDB01267 4-Oxo-4-(3-pyridyl)-butanamide C9H10N2O2 178.07423 HMDB01267 PFEM_hmdb_metabocards_official NA NA +HMDB04145 BOX B C9H10N2O2 178.07423 HMDB04145 PFEM_hmdb_metabocards_official NA NA +HMDB04146 BOX A C9H10N2O2 178.07423 HMDB04146 PFEM_hmdb_metabocards_official NA NA +HMDB01267 4-Oxo-4-(3-pyridyl)-butanamide C9H10N2O2 178.074234 NA HMDB2010 NA NA +HMDB04145 BOX B C9H10N2O2 178.074234 NA HMDB2010 NA NA +HMDB04146 BOX A C9H10N2O2 178.074234 NA HMDB2010 NA NA +MJ004768 2,12-Tetradecadiene-4,6,8,10-tetrayne C14H10 178.07825 NA MeJP NA NA +MJ004769 Phenanthrene C14H10 178.07825 NA MeJP NA NA +MetaCyc01499 phenanthrene-ring [] C14H10 178.07825 NA metacyc NA NA +C11422 Phenanthrene C14H10 178.0783 NA KEGG NA NA +C14315 Anthracene C14H10 178.0783 NA KEGG NA NA +C08235 beta-D-Digitalopyranose C7H14O5 178.0841 NA KEGG NA NA +C16287 D-Thevetose C7H14O5 178.0841 NA KEGG NA NA +MJ004770 2-Deoxy-arabino-hexose C7H14O5 178.084123 NA MeJP NA NA +MJ004771 2-O-Methylxylose C7H14O5 178.084123 NA MeJP NA NA +MJ004772 5-(Hydroxymethyl)-1,2,3,4-cyclohexanetetrol C7H14O5 178.084123 NA MeJP NA NA +MJ004773 5-(Hydroxymethyl)-1,2,3,4-cyclopentanetetrol; 2-Me ether C7H14O5 178.084123 NA MeJP NA NA +MJ004774 5-Deoxy-3-C-hydroxymethyllyxose C7H14O5 178.084123 NA MeJP NA NA +MJ004775 6-Deoxy-3-C-methylgulose C7H14O5 178.084123 NA MeJP NA NA +MJ004776 6-Deoxy-3-C-methylmannose C7H14O5 178.084123 NA MeJP NA NA +MJ004777 6-Deoxy-3-O-methylaltrose C7H14O5 178.084123 NA MeJP NA NA +MJ004778 6-Deoxy-3-O-methylgalactose C7H14O5 178.084123 NA MeJP NA NA +MJ004779 6-Deoxyallose, 2-Me C7H14O5 178.084123 NA MeJP NA NA +MJ004780 6-Deoxyallose, 3-Me C7H14O5 178.084123 NA MeJP NA NA +MJ004781 6-Deoxyaltrose, 4-Me C7H14O5 178.084123 NA MeJP NA NA +MJ004782 6-Deoxytalose, 3-Me C7H14O5 178.084123 NA MeJP NA NA +MJ004783 Fucose, 2-Me C7H14O5 178.084123 NA MeJP NA NA +MJ004784 Rhamnose, 2-Me C7H14O5 178.084123 NA MeJP NA NA +MJ004785 Bis(1-methylpropyl) disulfide C8H18S2 178.084991 NA MeJP NA NA +MJ004786 Dibutyl disulfide C8H18S2 178.084991 NA MeJP NA NA +MJ004787 2,3-Diamino-2,3-dideoxyglucose; ?-D-Pyranose-form C6H14N2O4 178.095356 NA MeJP NA NA +MJ004788 2,6-Diamino-2,6-dideoxyglucose C6H14N2O4 178.095356 NA MeJP NA NA +MJ004789 4,6-Diamino-1,2,3,5-cyclohexanetetrol C6H14N2O4 178.095356 NA MeJP NA NA +C01854 Streptamine C6H14N2O4 178.0954 NA KEGG NA NA +C17574 2-epi-Streptamine C6H14N2O4 178.0954 NA KEGG NA NA +3542 ACE inhibitor LQP 178.097 MH2+ Inhouse_peptide NA peptide +7822 ACE inhibitor from micro algae IAPG 178.097 MH2+ Inhouse_peptide NA peptide +8184 ACE Inhibitor IQP 178.097 MH2+ Inhouse_peptide NA peptide +MJ004790 1-Butyl-3,4-methylenedioxybenzene C11H14O2 178.099379 NA MeJP NA NA +MJ004791 2,6-Decadien-4-ynoic acid, Me ester C11H14O2 178.099379 NA MeJP NA NA +MJ004792 2-(3-Methyl-2-butenyl)-1,4-benzenediol C11H14O2 178.099379 NA MeJP NA NA +MJ004793 2-Methylpropanoic acid; Benzyl ester C11H14O2 178.099379 NA MeJP NA NA +MJ004794 3-(2-Hydroxy-4-methylphenyl)-2-butanone C11H14O2 178.099379 NA MeJP NA NA +MJ004795 3-(4-Hydroxyphenyl)-2-propen-1-ol, Di-Me ether C11H14O2 178.099379 NA MeJP NA NA +MJ004796 4,6-Decadiynoic acid; Me ester C11H14O2 178.099379 NA MeJP NA NA +MJ004797 4-(1,1-Dimethyl-2-propenyl)-1,3-benzenediol C11H14O2 178.099379 NA MeJP NA NA +MJ004798 4-(1,2-Dimethyl-2-propenyl)-1,3-benzenediol C11H14O2 178.099379 NA MeJP NA NA +MJ004799 4-(1-Propenyl)-1,2-benzenediol, Di-Me ether C11H14O2 178.099379 NA MeJP NA NA +MJ004800 4-(2-Propenyl)-1,2-benzenediol; 2-Et ether C11H14O2 178.099379 NA MeJP NA NA +MJ004801 4-(2-Propenyl)-1,2-benzenediol; Di-Me ether C11H14O2 178.099379 NA MeJP NA NA +MJ004802 4-(2-Propenyl)-1,3-benzenediol; Di-Me ether C11H14O2 178.099379 NA MeJP NA NA +MJ004803 4-(4-Hydroxyphenyl)-2-butanone; Me ether C11H14O2 178.099379 NA MeJP NA NA +MJ004804 5,5-Dimethyl-1,3,6-cycloheptatriene-1-carboxylic acid; Me ester C11H14O2 178.099379 NA MeJP NA NA +MJ004805 Actinidiolide C11H14O2 178.099379 NA MeJP NA NA +MJ004806 Andirolactone C11H14O2 178.099379 NA MeJP NA NA +MJ004807 Pyrethrolone C11H14O2 178.099379 NA MeJP NA NA +HMDB02043 5-Phenylvaleric acid C11H14O2 178.09938 http://www.hmdb.ca/metabolites/HMDB02043 HMDB NA NA +MetaCyc01500 isomethyleugenol [] C11H14O2 178.09938 NA metacyc NA NA +MetaCyc01501 methyleugenol [] C11H14O2 178.09938 NA metacyc NA NA +HMDB02043 5-Phenylvaleric acid C11H14O2 178.09938 HMDB02043 PFEM_hmdb_metabocards_official NA NA +HMDB02043 5-Phenylvaleric acid C11H14O2 178.09938 NA HMDB2010 NA NA +C10454 Eugenol methyl ether C11H14O2 178.0994 NA KEGG NA NA +C10478 Methylisoeugenol C11H14O2 178.0994 NA KEGG NA NA +C14535 4-t-Butylbenzoic acid C11H14O2 178.0994 NA KEGG NA NA +C14709 1,1-Dimethylethyl benzoate C11H14O2 178.0994 NA KEGG NA NA +C17663 3-Phenylpropyl acetate C11H14O2 178.0994 NA KEGG NA NA +C17665 2-Phenylpropyl acetate C11H14O2 178.0994 NA KEGG NA NA +C17666 1-Phenylpropyl acetate C11H14O2 178.0994 NA KEGG NA NA +C17782 3,5-Dimethoxyallylbenzene C11H14O2 178.0994 NA KEGG NA NA +JH211 Hesperetin N/A NA 178.1096 17.78 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH211 Hesperetin N/A NA 178.1096 17.78 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH211 Hesperetin N/A NA 178.1096 17.78 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH211 Hesperetin N/A NA 178.1096 17.78 Inhousejuil11 NA NA +C01056 (S)-6-Hydroxynicotine C10H14N2O 178.1106 NA KEGG NA NA +C01058 11beta-Hydroxysteroid C10H14N2O 178.1106 NA KEGG NA NA +C03043 (R)-6-Hydroxynicotine C10H14N2O 178.1106 NA KEGG NA NA +C16569 Glycinexylidide C10H14N2O 178.1106 NA KEGG NA NA +HMDB01240 Pseudooxynicotine C10H14N2O 178.11061 http://www.hmdb.ca/metabolites/HMDB01240 HMDB NA NA +HMDB01329 2'-Hydroxynicotine C10H14N2O 178.11061 http://www.hmdb.ca/metabolites/HMDB01329 HMDB NA NA +HMDB01497 Nicotine-1'-N-oxide C10H14N2O 178.11061 http://www.hmdb.ca/metabolites/HMDB01497 HMDB NA NA +HMDB01240 Pseudooxynicotine C10H14N2O 178.11061 HMDB01240 PFEM_hmdb_metabocards_official NA NA +HMDB01329 2'-Hydroxynicotine C10H14N2O 178.11061 HMDB01329 PFEM_hmdb_metabocards_official NA NA +HMDB01497 Nicotine-1'-N-oxide C10H14N2O 178.11061 HMDB01497 PFEM_hmdb_metabocards_official NA NA +HMDB01240 Pseudooxynicotine C10H14N2O 178.110611 NA HMDB2010 NA NA +HMDB01329 2'-Hydroxynicotine C10H14N2O 178.110611 NA HMDB2010 NA NA +HMDB01497 Nicotine-1'-N-oxide C10H14N2O 178.110611 NA HMDB2010 NA NA +MJ004808 5-Butyl-2-pyridinecarboxylic acid; Amide C10H14N2O 178.110613 NA MeJP NA NA +MJ004809 Bongardine; N-Ac C10H14N2O 178.110613 NA MeJP NA NA +MJ004810 N,N-Diethyl-3-pyridinecarboxamide C10H14N2O 178.110613 NA MeJP NA NA +MJ004811 Nicotine, 1'-N-Oxide C10H14N2O 178.110613 NA MeJP NA NA +MetaCyc01502 (R)-6-hydroxynicotine [(D)-6-hydroxynicotine;] C10H14N2O1 178.110613 NA metacyc NA NA +MetaCyc01503 4-(methylamino)-1-(3-pyridyl)-1-butanone [pseudooxynicotine;1-butanone, 4-(methylamino)-1-(3-pyridinyl)-;] C10H14N2O1 178.110613 NA metacyc NA NA +MetaCyc01504 2'-hydroxynicotine [] C10H14N2O1 178.110613 NA metacyc NA NA +MetaCyc01505 nicotine-1'-N-oxide [nicotine N'-oxide;] C10H14N2O1 178.110613 NA metacyc NA NA +MetaCyc01506 L-6-hydroxynicotine [(S)-6-hydroxynicotine;] C10H14N2O1 178.110613 NA metacyc NA NA +3349 ACE inhibitor IKP 178.115 MH2+ Inhouse_peptide NA peptide +7549 ACE inhibitor LKP 178.115 MH2+ Inhouse_peptide NA peptide +8216 Antioxidative peptide LKP 178.115 MH2+ Inhouse_peptide NA peptide +38 Aldolase LKP 178.1155 MH2+ Inhouse_peptide NA peptide +MJ004812 1,2-Bis(2-methoxyethoxy)ethane C8H18O4 178.120509 NA MeJP NA NA +MJ004813 (4-Hydroxystyryl)trimethylammonium(1+) C11H16NO 178.123189 NA MeJP NA NA +MJ004814 11,12,13-Trinor-1(10)-eremophilen-7-one C12H18O 178.135765 NA MeJP NA NA +MJ004815 11,12,13-Trinor-6,10(14)-guaiadien-4-ol C12H18O 178.135765 NA MeJP NA NA +MJ004816 11-Methyl-7-oxatetracyclo[6.3.1.01,6.04,11]dodecane C12H18O 178.135765 NA MeJP NA NA +MJ004817 2,5-Diisopropylphenol C12H18O 178.135765 NA MeJP NA NA +MJ004818 2,6-Diisopropylphenol C12H18O 178.135765 NA MeJP NA NA +MJ004819 4,4a,5,6,7,8-Hexahydro-4a,8-dimethyl-2(3H)-naphthalenone C12H18O 178.135765 NA MeJP NA NA +MJ004820 4-(4-Methyl-3-cyclohexenyl)-3-penten-2-one C12H18O 178.135765 NA MeJP NA NA +MJ004821 5,7-Dimethyl-2,6,8-decatrien-4-one C12H18O 178.135765 NA MeJP NA NA +MJ004822 5-Methyl-2-pentylphenol C12H18O 178.135765 NA MeJP NA NA +MJ004823 7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-one C12H18O 178.135765 NA MeJP NA NA +MJ004824 Geijerone C12H18O 178.135765 NA MeJP NA NA +MJ004825 Quinceoxepine C12H18O 178.135765 NA MeJP NA NA +MJ004826 Tricycloekasantalol; Aldehyde C12H18O 178.135765 NA MeJP NA NA +MJ004827 ?-Methyl-4-(2-methylpropyl)benzyl alcohol C12H18O 178.135765 NA MeJP NA NA +C07523 Propofol C12H18O 178.1358 NA KEGG NA NA +C14465 4-n-Hexylphenol C12H18O 178.1358 NA KEGG NA NA +MJ004828 2,5-Dimethyl-3-(3-methyl-2-butenyl)pyrazine; 2',3'-Dihydro C11H18N2 178.146998 NA MeJP NA NA +MJ004829 3,5-Dimethyl-2-pentylpyrazine C11H18N2 178.146998 NA MeJP NA NA +MJ004830 6-Ethyl-4-methyl-3,5,7-decatriene C13H22 178.17215 NA MeJP NA NA +7859 ACE inhibitor IEP 178.589 MH2+ Inhouse_peptide NA peptide +8139 synthetic peptide PEL 178.589 MH2+ Inhouse_peptide NA peptide +3356 Stimulating vasoactive substance release LLL 178.626 MH2+ Inhouse_peptide NA peptide +C11105 5-Methyl-3-isoxazolyl sulfate C4H5NO5S 178.9888 NA KEGG NA NA +MJ004831 4-Amino-3-chloro-2-pentenedioic acid C5H6ClNO4 178.998535 NA MeJP NA NA +MJ004832 1-Isothiocyanato-3-(methylthio)propane; S,S-Dioxide C5H9NO2S2 179.007469 NA MeJP NA NA +MJ004833 5-Chloro-8-hydroxyquinoline C9H6ClNO 179.013791 NA MeJP NA NA +C03727 S-Carboxymethyl-L-cysteine C5H9NO4S 179.0252 NA KEGG NA NA +C03730 Single-stranded nucleotide C10H19O16P3R2 179.0252 NA KEGG NA NA +MJ004834 S-Carboxymethylcysteine C5H9NO4S 179.025228 NA MeJP NA NA +MetaCyc01507 S-carboxymethyl-D-cysteine [] C5H9N1O4S1 179.025228 NA metacyc NA NA +MetaCyc01508 S-Carboxymethyl-L-cysteine [] C5H9N1O4S1 179.025228 638-23-3 metacyc NA NA +MJ004835 2-Amino-5-chloro-4-hydroxy-5-hexenoic acid C6H10ClNO3 179.03492 NA MeJP NA NA +MJ004836 2-Amino-5-chloro-6-hydroxy-4-hexenoic acid C6H10ClNO3 179.03492 NA MeJP NA NA +MJ004837 3-Hydroxybenzyl isothiocyanate; Me ether C9H9NOS 179.040484 NA MeJP NA NA +MJ004838 4-Hydroxybenzyl isothiocyanate; Me ether C9H9NOS 179.040484 NA MeJP NA NA +MJ004839 5-Phenyl-2-oxazolidinethione C9H9NOS 179.040484 NA MeJP NA NA +MJ004840 2-Amino-3,4-dihydroxypentanedioic acid C5H9NO6 179.042987 NA MeJP NA NA +C03975 2-Amino-4,7-dihydroxypteridine C6H5N5O2 179.0443 NA KEGG NA NA +MJ004841 2-Amino-4,7-dihydroxypteridine C6H5N5O2 179.044324 NA MeJP NA NA +MJ004842 Reumycin C6H5N5O2 179.044324 NA MeJP NA NA +MJ004843 Xanthopterin C6H5N5O2 179.044324 NA MeJP NA NA +MetaCyc01509 2-amino-4,7-dihydroxypteridine [] C6H5N5O2 179.044324 529-69-1 metacyc NA NA +HMDB00704 Isoxanthopterin C6H5N5O2 179.044327 NA HMDB2010 NA NA +HMDB00704 Isoxanthopterin C6H5N5O2 179.04433 http://www.hmdb.ca/metabolites/HMDB00704 HMDB NA NA +HMDB00704 Isoxanthopterin C6H5N5O2 179.04433 HMDB00704 PFEM_hmdb_metabocards_official NA NA +HMDB06856 D-Glucoside C6H11O6 179.05556 http://www.hmdb.ca/metabolites/HMDB06856 HMDB NA NA +HMDB06856 D-Glucoside C6H11O6 179.05556 HMDB06856 PFEM_hmdb_metabocards_official NA NA +CJpos0427 Caffeine [(M+H)-(CH3•)]+ C7H8N4O2 179.056375 C18rt(min)=5.58 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0427 Caffeine [(M+H)-(CH3•)]+ C7H8N4O2 179.056375 C18rt(min)=5.58 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0428 Hippuric acid [(M+H)]+ C9H10NO3 179.057675 C18rt(min)=5.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0428 Hippuric acid [(M+H)]+ C9H10NO3 179.057675 C18rt(min)=5.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +EUR625 Hippuric acid [M+H]+ 179.0582 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR625 Hippuric acid [M+H]+ 179.0582 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR625 Hippuric acid [M+H]+ 179.0582 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR625 Hippuric acid [M+H]+ 179.0582 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C01586 Hippurate C9H9NO3 179.0582 NA KEGG NA NA +C01587 Human IgA C9H9NO3 179.0582 NA KEGG NA NA +C06332 N-Acetylanthranilate C9H9NO3 179.0582 NA KEGG NA NA +C06339 2,5,6-Trihydroxy-5,6-dihydroquinoline C9H9NO3 179.0582 NA KEGG NA NA +HMDB00714 Hippuric acid C9H9NO3 179.05824 http://www.hmdb.ca/metabolites/HMDB00714 PFEM_hmdb_metabocards_urine NA urine +LABER033 Hippuric acid C9H9NO3 179.05824 RT 15.11 fragt PFEM_hmdb_metabocards_urine NA urine +LABER033 Hippuric acid C9H9NO3 179.05824 RT 15.11 fragt BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00714 Hippuric acid C9H9NO3 179.05824 http://www.hmdb.ca/metabolites/HMDB00714 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER033 Hippuric acid C9H9NO3 179.05824 RT 15.11 fragt Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00714 Hippuric acid C9H9NO3 179.05824 http://www.hmdb.ca/metabolites/HMDB00714 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER033 Hippuric acid C9H9NO3 179.05824 RT 15.11 fragt banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00714 Hippuric acid C9H9NO3 179.05824 http://www.hmdb.ca/metabolites/HMDB00714 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00714 Hippuric acid C9H9NO3 179.05824 http://www.hmdb.ca/metabolites/HMDB00714 HMDB NA NA +HMDB00992 3-succinoylpyridine C9H9NO3 179.05824 http://www.hmdb.ca/metabolites/HMDB00992 HMDB NA NA +LABER033 Hippuric acid C9H9NO3 179.05824 RT 15.11 fragt HMDB NA NA +LABER033 Hippuric acid C9H9NO3 179.05824 RT 15.11 fragt Inhouse_PFEM NA NA +LABER033 Hippuric acid C9H9NO3 179.05824 180.06544 Inhouse_sept12 NA NA +LABER033 Hippuric acid C9H9NO3 179.05824 RT 15.11 fragt Inhousejuil11 NA NA +HMDB00714 Hippuric acid C9H9NO3 179.05824 http://www.hmdb.ca/metabolites/HMDB00714 PFEM_hmdb_metabocards_blood NA blood +LABER033 Hippuric acid C9H9NO3 179.05824 RT 15.11 fragt PFEM_hmdb_metabocards_blood NA blood +LABER033 Hippuric acid C9H9NO3 179.05824 RT 15.11 fragt PFEM_hmdb_metabocards_official NA NA +HMDB00714 Hippuric acid C9H9NO3 179.05824 HMDB00714 PFEM_hmdb_metabocards_official NA NA +HMDB00992 3-succinoylpyridine C9H9NO3 179.05824 HMDB00992 PFEM_hmdb_metabocards_official NA NA +HMDB00714 Hippuric acid C9H9NO3 179.058243 NA HMDB2010 NA NA +HMDB00992 3-Succinoylpyridine C9H9NO3 179.058243 NA HMDB2010 NA NA +MJ004844 2-Oxo-3-phenylpropanoic acid; Oxo-form, Oxime C9H9NO3 179.058243 NA MeJP NA NA +MJ004845 4-Aminobenzoic acid; N-Ac C9H9NO3 179.058243 NA MeJP NA NA +MJ004846 4-Hydroxy-8-isocyano-1-oxaspiro[4.4]non-6-en-2-one C9H9NO3 179.058243 NA MeJP NA NA +MJ004847 Adrenochrome C9H9NO3 179.058243 NA MeJP NA NA +MJ004848 Erbstatin C9H9NO3 179.058243 NA MeJP NA NA +MJ004849 N-Acetyl-2-hydroxybenzamide C9H9NO3 179.058243 NA MeJP NA NA +MJ004850 N-Benzoylglycine C9H9NO3 179.058243 NA MeJP NA NA +MJ004851 Hippurate C9H9NO3 179.058243 NA MeJP NA NA +MetaCyc01510 hippurate [Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid;] C9H9N1O3 179.058243 495-69-2 metacyc NA NA +MetaCyc01511 4-oxo-4-(3-pyridyl)-butanoate [4-oxo-4-(3-pyridyl)-butanoic acid;3-succinoylpyridine;γ-oxo-3-pyridinebutanoic acid;γ-oxo-3-pyridinebutanoate;] C9H9N1O3 179.058243 NA metacyc NA NA +MetaCyc01512 2,5,6-trihydroxy-5,6-dihydroquinoline [] C9H9N1O3 179.058243 NA metacyc NA NA +JH091 Hippuric acid [M+H]+ C9H9NO3 179.0588 10.55 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH091 Hippuric acid [M+H]+ C9H9NO3 179.0588 10.55 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH091 Hippuric acid [M+H]+ C9H9NO3 179.0588 10.55 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH091 Hippuric acid [M+H]+ C9H9NO3 179.0588 10.55 Inhousejuil11 NA NA +CJneg0262 Hippuric acid [(M-H)]- C9H8NO3 179.058825 C18rt(min)=5.87 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0262 Hippuric acid [(M-H)]- C9H8NO3 179.058825 C18rt(min)=5.87 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C02824 Cyclohexylsulfamate C6H13NO3S 179.0616 NA KEGG NA NA +MJ004852 4-Amino-5-(methylthio)-1,2,3-cyclopentanetriol C6H13NO3S 179.061613 NA MeJP NA NA +MJ004853 Cyclohexylsulfamic acid C6H13NO3S 179.061613 NA MeJP NA NA +MJ004854 Fudosteine C6H13NO3S 179.061613 NA MeJP NA NA +MJ004855 Methionine sulfoxide; (S)C(?)S-form, N-Me C6H13NO3S 179.061613 NA MeJP NA NA +MJ004856 S-Propylcysteine sulfoxide; (R)C(R)S-form C6H13NO3S 179.061613 NA MeJP NA NA +MJ004857 S-Propylcysteine sulfoxide; (R)C(S)S-form C6H13NO3S 179.061613 NA MeJP NA NA +MetaCyc01513 cyclohexylsulfamate [Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate;] C6H13N1O3S1 179.061614 100-88-9 metacyc NA NA +3474 ACE inhibitor GDAP 179.06845 MH2+ Inhouse_peptide NA peptide +MJ004858 Cytallene C8H9N3O2 179.069476 NA MeJP NA NA +C07585 N-Acetylisoniazid C8H9N3O2 179.0695 NA KEGG NA NA +MJ004859 Cyclohept[b]indole C13H9N 179.073499 NA MeJP NA NA +8042 synthetic peptide PWG 179.076 MH2+ Inhouse_peptide NA peptide +EUR433 Glucosamine F1 C6H13NO5 179.078375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR433 Glucosamine F1 NA 179.078375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR433 Glucosamine F1 C6H13NO5 179.078375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR433 Glucosamine F1 NA 179.078375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR433 Glucosamine F1 C6H13NO5 179.078375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR433 Glucosamine F1 NA 179.078375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR433 Glucosamine F1 C6H13NO5 179.078375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR433 Glucosamine F1 C6H13NO5 179.078375 standards wishlist analysés sur QTOF HMDB NA NA +EUR433 Glucosamine F1 C6H13NO5 179.078375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR433 Glucosamine F1 NA 179.078375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR433 Glucosamine F1 C6H13NO5 179.078375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR433 Glucosamine F1 C6H13NO5 179.078375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ004860 1-Amino-1-deoxy-scyllo-inositol C6H13NO5 179.079372 NA MeJP NA NA +MJ004861 D-Glucosamine C6H13NO5 179.079372 NA MeJP NA NA +MJ004862 1-Amino-1-deoxyfructose C6H13NO5 179.079372 NA MeJP NA NA +MJ004863 2-Amino-2-deoxygalactose C6H13NO5 179.079372 NA MeJP NA NA +MJ004864 2-Amino-2-deoxyglucose C6H13NO5 179.079372 NA MeJP NA NA +MJ004865 2-Amino-2-deoxygulose C6H13NO5 179.079372 NA MeJP NA NA +MJ004866 2-Amino-2-deoxymannose C6H13NO5 179.079372 NA MeJP NA NA +MJ004867 2-Amino-2-deoxytalose C6H13NO5 179.079372 NA MeJP NA NA +MJ004868 3-Amino-3-deoxyglucose C6H13NO5 179.079372 NA MeJP NA NA +MJ004869 4-Amino-4-deoxyglucose C6H13NO5 179.079372 NA MeJP NA NA +MJ004870 5-Amino-5-deoxygalactose C6H13NO5 179.079372 NA MeJP NA NA +MJ004871 5-Amino-5-deoxyglucose; D-Pyranose-form C6H13NO5 179.079372 NA MeJP NA NA +MJ004872 5-Amino-5-deoxymannose; D-Pyranose-form C6H13NO5 179.079372 NA MeJP NA NA +MJ004873 6-Amino-6-deoxyglucose C6H13NO5 179.079372 NA MeJP NA NA +MetaCyc01514 1-amino-1-deoxy-scyllo-inositol [scyllo-inosamine;] C6H13N1O5 179.079373 NA metacyc NA NA +MetaCyc01515 glucosamine [2-amino-2-deoxyglucose;chitosamine;D-glucosamine;] C6H13N1O5 179.079373 3416-24-8 metacyc NA NA +MetaCyc01516 galactosamine [] C6H13N1O5 179.079373 7535-00-4 metacyc NA NA +MetaCyc01517 D-mannosamine [2-amino-2-Deoxy-D-Mannose;D-mannosamine;] C6H13N1O5 179.079373 5505-63-5 metacyc NA NA +EUR040 Fructosamine C6H13NO5 179.079374 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR043 Glucosamine C6H13NO5 179.079374 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR040 Fructosamine C6H13NO5 179.079374 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR043 Glucosamine C6H13NO5 179.079374 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR040 Fructosamine C6H13NO5 179.079374 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR043 Glucosamine C6H13NO5 179.079374 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR040 Fructosamine C6H13NO5 179.079374 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR043 Glucosamine C6H13NO5 179.079374 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR040 Fructosamine C6H13NO5 179.079374 Wishlist HMDB NA NA +EUR043 Glucosamine C6H13NO5 179.079374 Wishlist HMDB NA NA +EUR040 Fructosamine C6H13NO5 179.079374 Wishlist Inhouse_PFEM NA NA +EUR043 Glucosamine C6H13NO5 179.079374 Wishlist Inhouse_PFEM NA NA +EUR040 Fructosamine C6H13NO5 179.079374 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR043 Glucosamine C6H13NO5 179.079374 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR040 Fructosamine C6H13NO5 179.079374 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR043 Glucosamine C6H13NO5 179.079374 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB01514 Glucosamine C6H13NO5 179.079376 NA HMDB2010 NA NA +HMDB02030 Fructosamine C6H13NO5 179.079376 NA HMDB2010 NA NA +HMDB01514 Glucosamine C6H13NO5 179.07938 http://www.hmdb.ca/metabolites/HMDB01514 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02030 Fructosamine C6H13NO5 179.07938 http://www.hmdb.ca/metabolites/HMDB02030 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01514 Glucosamine C6H13NO5 179.07938 http://www.hmdb.ca/metabolites/HMDB01514 HMDB NA NA +HMDB02030 Fructosamine C6H13NO5 179.07938 http://www.hmdb.ca/metabolites/HMDB02030 HMDB NA NA +HMDB01514 Glucosamine C6H13NO5 179.07938 http://www.hmdb.ca/metabolites/HMDB01514 PFEM_hmdb_metabocards_blood NA blood +HMDB02030 Fructosamine C6H13NO5 179.07938 http://www.hmdb.ca/metabolites/HMDB02030 PFEM_hmdb_metabocards_blood NA blood +HMDB01514 Glucosamine C6H13NO5 179.07938 HMDB01514 PFEM_hmdb_metabocards_official NA NA +HMDB02030 Fructosamine C6H13NO5 179.07938 HMDB02030 PFEM_hmdb_metabocards_official NA NA +EUR040 Fructosamine C6H13NO5 179.0794 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR043 glucosamine C6H13NO5 179.0794 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR040 Fructosamine C6H13NO5 179.0794 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR043 glucosamine C6H13NO5 179.0794 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR040 Fructosamine C6H13NO5 179.0794 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR043 glucosamine C6H13NO5 179.0794 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR040 Fructosamine C6H13NO5 179.0794 Wishlist Inhousejuil11 NA NA +EUR043 glucosamine C6H13NO5 179.0794 Wishlist Inhousejuil11 NA NA +C00329 D-Glucosamine C6H13NO5 179.0794 NA KEGG NA NA +C01214 1-Amino-1-deoxy-scyllo-inositol C6H13NO5 179.0794 NA KEGG NA NA +C02262 D-Galactosamine C6H13NO5 179.0794 NA KEGG NA NA +C03570 D-Mannosamine C6H13NO5 179.0794 NA KEGG NA NA +C06763 Nojirimycin C6H13NO5 179.0794 NA KEGG NA NA +C08349 beta-D-Glucosamine C6H13NO5 179.0794 NA KEGG NA NA +C12212 Kanosamine C6H13NO5 179.0794 NA KEGG NA NA +C17578 neo-Inosamine-2 C6H13NO5 179.0794 NA KEGG NA NA +CJpos0429 Dimethylguanosine [(M+H)-(C5H8O4)]+ C7H10N5O 179.080175 C18rt(min)=4.71 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0429 Dimethylguanosine [(M+H)-(C5H8O4)]+ C7H10N5O 179.080175 C18rt(min)=4.71 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C16675 7-Aminomethyl-7-deazaguanine C7H9N5O 179.0807 NA KEGG NA NA +C16676 N6-Alkylaminopurine-9-beta-D-glucoside C11H14N5O5R 179.0807 NA KEGG NA NA +HMDB11690 7-Aminomethyl-7-carbaguanine C7H9N5O 179.080704 NA HMDB2010 NA NA +MJ004874 1,3-Dimethylguanine C7H9N5O 179.080709 NA MeJP NA NA +MJ004875 1,6,7,9-Tetrahydro-6-imino-1,9-dimethyl-8H-purin-8-one C7H9N5O 179.080709 NA MeJP NA NA +MJ004876 2-Amino-5-aminomethylpyrrolo[2,3-d]pyrimidin-4(3H)-one C7H9N5O 179.080709 NA MeJP NA NA +MJ004877 3-Methylguanine; 7H-form, 7-Me C7H9N5O 179.080709 NA MeJP NA NA +MJ004878 6-Amino-2-hydroxypurine; 1,3-Di-Me C7H9N5O 179.080709 NA MeJP NA NA +MJ004879 6-Amino-2-hydroxypurine; 3,7-Di-Me C7H9N5O 179.080709 NA MeJP NA NA +MJ004880 Herbipoline C7H9N5O 179.080709 NA MeJP NA NA +MetaCyc01518 7-aminomethyl-7-deazaguanine [preQ1;] C7H9N5O1 179.08071 NA metacyc NA NA +PFEM043F1 glucosamine F1 179.0816 NA Inhouse_original NA NA +C07591 Phenacetin C10H13NO2 179.0946 NA KEGG NA NA +C09642 (-)-Salsolinol C10H13NO2 179.0946 NA KEGG NA NA +C10146 Fusaric acid C10H13NO2 179.0946 NA KEGG NA NA +C14579 Xylylcarb C10H13NO2 179.0946 NA KEGG NA NA +C17235 L-Homophenylalanine C10H13NO2 179.0946 NA KEGG NA NA +MJ004881 1,2,3,4-Tetrahydro-4,8-dihydroxy-2-methylisoquinoline C10H13NO2 179.094628 NA MeJP NA NA +MJ004882 1,2,3,4-Tetrahydro-6,7-dihydroxy-1-methylisoquinoline C10H13NO2 179.094628 NA MeJP NA NA +MJ004883 2-(3,4-Methylenedioxyphenyl)ethylamine; N-Me C10H13NO2 179.094628 NA MeJP NA NA +MJ004884 2-Amino-1,2,3,4-tetrahydro-5,6-dihydroxynaphthalene C10H13NO2 179.094628 NA MeJP NA NA +MJ004885 2-Amino-1,2,3,4-tetrahydro-6,7-dihydroxynaphthalene C10H13NO2 179.094628 NA MeJP NA NA +MJ004886 2-Amino-1-phenyl-1-propanol, N-Formyl C10H13NO2 179.094628 NA MeJP NA NA +MJ004887 2-Hydroxy-N-isopropylbenzamide C10H13NO2 179.094628 NA MeJP NA NA +MJ004888 2-Propoxybenzamide C10H13NO2 179.094628 NA MeJP NA NA +MJ004889 3-(2-Carboxyethyl)-1,4-dimethylpyridinium C10H13NO2 179.094628 NA MeJP NA NA +MJ004890 3-Hydroxy-3-(2-methylphenyl)propanoic acid, Amide C10H13NO2 179.094628 NA MeJP NA NA +MJ004891 4-(2-Aminoethyl)phenol; N-Ac C10H13NO2 179.094628 NA MeJP NA NA +MJ004892 4-Amino-3-phenylbutanoic acid C10H13NO2 179.094628 NA MeJP NA NA +MJ004893 4-Ethoxyaniline; N-Ac C10H13NO2 179.094628 NA MeJP NA NA +MJ004894 5-Butyl-2-pyridinecarboxylic acid C10H13NO2 179.094628 NA MeJP NA NA +MJ004895 5-Ethyl-4-methyl-3-pyridinecarboxylic acid; Me ester C10H13NO2 179.094628 NA MeJP NA NA +MJ004896 Maltoxazine C10H13NO2 179.094628 NA MeJP NA NA +MJ004897 Oliveridine C10H13NO2 179.094628 NA MeJP NA NA +MJ004898 Phenylalanine, N-Me C10H13NO2 179.094628 NA MeJP NA NA +MJ004899 Tenamfetamine C10H13NO2 179.094628 NA MeJP NA NA +MJ004900 2,3-Dihydro-5,6-dihydroxy-1,1-dimethylindolium(1+) C10H14NO2(+) 179.094628 NA MeJP NA NA +HMDB01189 2(N)-Methyl-norsalsolinol C10H13NO2 179.094635 NA HMDB2010 NA NA +HMDB05199 (R)-Salsolinol C10H13NO2 179.094635 NA HMDB2010 NA NA +HMDB05199 (R)-Salsolinol C10H13NO2 179.09464 http://www.hmdb.ca/metabolites/HMDB05199 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01189 2(N)-Methyl-norsalsolinol C10H13NO2 179.09464 http://www.hmdb.ca/metabolites/HMDB01189 HMDB NA NA +HMDB05199 (R)-Salsolinol C10H13NO2 179.09464 http://www.hmdb.ca/metabolites/HMDB05199 HMDB NA NA +HMDB05199 (R)-Salsolinol C10H13NO2 179.09464 http://www.hmdb.ca/metabolites/HMDB05199 PFEM_hmdb_metabocards_blood NA blood +HMDB01189 2(N)-Methyl-norsalsolinol C10H13NO2 179.09464 HMDB01189 PFEM_hmdb_metabocards_official NA NA +HMDB05199 (R)-Salsolinol C10H13NO2 179.09464 HMDB05199 PFEM_hmdb_metabocards_official NA NA +MJ004901 Iproniazid C9H13N3O 179.105862 NA MeJP NA NA +C11777 Iproniazid C9H13N3O 179.1059 NA KEGG NA NA +3547 ACE inhibitor IRA 179.111 MH2+ Inhouse_peptide NA peptide +8103 peptide derived from dried bonito VKL 179.123 MH2+ Inhouse_peptide NA peptide +8133 peptide derived from dried bonito KVI 179.123 MH2+ Inhouse_peptide NA peptide +C07220 Mexiletine C11H17NO 179.131 NA KEGG NA NA +C09988 Tecomine C11H17NO 179.131 NA KEGG NA NA +C17903 (+)-N-methylpseudoephedrine C11H17NO 179.131 NA KEGG NA NA +MJ004902 2-(4-Methoxyphenyl)ethylamine; N,N-Di-Me C11H17NO 179.131014 NA MeJP NA NA +MJ004903 2-Dimethylamino-1-phenyl-1-propanol C11H17NO 179.131014 NA MeJP NA NA +MJ004904 Methoxyphenamine C11H17NO 179.131014 NA MeJP NA NA +MJ004905 Mexiletine C11H17NO 179.131014 NA MeJP NA NA +MJ004906 Tecomanine C11H17NO 179.131014 NA MeJP NA NA +MJ004907 Hordenine; N-Me C11H18NO(+) 179.131014 NA MeJP NA NA +MJ004908 Leptodactyline C11H18NO(+) 179.131014 NA MeJP NA NA +MJ004909 4-Cyclohexyl-3-ethyl-4H-1,2,4-triazole C10H17N3 179.142247 NA MeJP NA NA +MJ004910 1-(1-Adamantyl)ethylamine C12H21N 179.167399 NA MeJP NA NA +MJ004911 1-Amino-3,5-dimethyladamantane C12H21N 179.167399 NA MeJP NA NA +C07236 Rimantadine C12H21N 179.1674 NA KEGG NA NA +C07237 Transferred to D00425 C12H21N 179.1674 NA KEGG NA NA +C07238 Transferred to D00426 C12H21N 179.1674 NA KEGG NA NA +C13736 Memantine C12H21N 179.1674 NA KEGG NA NA +7637 ACE inhibitor from bonito bowels GHF 179.5735 MH2+ Inhouse_peptide NA peptide +3 Sarcoplasmic FHG 179.574 MH2+ Inhouse_peptide NA peptide +7746 ACE inhibitor from pearl oyster LVE 179.597 MH2+ Inhouse_peptide NA peptide +MJ004912 2-Bromo-1,1,1,2-tetrafluoroethane C2HBrF4 179.919775 NA MeJP NA NA +C06594 1,2,4-Trichlorobenzene C6H3Cl3 179.93 NA KEGG NA NA +C14408 1,2,3-Trichlorobenzene C6H3Cl3 179.93 NA KEGG NA NA +MJ004913 1,2,4-Trichlorobenzene C6H3Cl3 179.930033 NA MeJP NA NA +MetaCyc01519 1,2,4-trichlorobenzene [1,2,4-TCB;] C6H3CL3 179.930033 120-82-1 metacyc NA NA +MJ004914 Methioflurane C3H4Cl2F2S 179.937882 NA MeJP NA NA +MJ004915 2,3-Dichloro-4-nitro-1H-pyrrole C4H2Cl2N2O2 179.949332 NA MeJP NA NA +EUR650 Selenomethionine [M+H-H2O]+ NA 179.971075 1.31 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR650 Selenomethionine [M+H-H2O]+ NA 179.971075 1.31 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR650 Selenomethionine [M+H-H2O]+ NA 179.971075 1.31 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR650 Selenomethionine [M+H-H2O]+ NA 179.971075 1.31 Inhousejuil11 NA NA +MJ004916 2,5-Dichloro-2,5-cyclohexadiene-1,4-diol C6H6Cl2O2 179.974484 NA MeJP NA NA +MJ004917 3,6-Dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene C6H6Cl2O2 179.974484 NA MeJP NA NA +MetaCyc01520 2,5-dichloro-2,5-cyclohexadiene-1,4-diol [2,5-DDOL;] C6H6O2CL2 179.974485 NA metacyc NA NA +MetaCyc01521 1,4-dichlorobenzene dihydrodiol [3,6-dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene;p-dichlorobenzene dihydrodiol;] C6H6O2CL2 179.974485 NA metacyc NA NA +C06599 2,5-Dichloro-2,5-cyclohexadiene-1,4-diol C6H6Cl2O2 179.9745 NA KEGG NA NA +C07093 3,6-Dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene C6H6Cl2O2 179.9745 NA KEGG NA NA +MJ004918 2-Bromo-3-methylbutanoic acid C5H9BrO2 179.978592 NA MeJP NA NA +MJ004919 1-(Methylthio)ethyl 2-propenyl disulfide C6H12S3 180.010112 NA MeJP NA NA +MJ004920 3,5-Dialkyl-1,2,4-trithiolanes; 3-(2-Methylpropyl)-1,2,4-trithiolane C6H12S3 180.010112 NA MeJP NA NA +MJ004921 Chlorimidazine C6H10Cl2N2 180.022103 NA MeJP NA NA +JH052 Allantoin [M+Na]+ NA 180.0243 1.37 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH052 Allantoin [M+Na]+ NA 180.0243 1.37 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH052 Allantoin [M+Na]+ NA 180.0243 1.37 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH052 Allantoin [M+Na]+ NA 180.0243 1.37 Inhousejuil11 NA NA +MJ004922 2-Acetyl-3-hydroxy-5-(1-propynyl)thiophene C9H8O2S 180.0245 NA MeJP NA NA +MJ004923 1,5-Dihydro-2,4,6(3H)-pteridinetrione C6H4N4O3 180.02834 NA MeJP NA NA +MJ004924 2,4,7(1H,3H,8H)-Pteridinetrione C6H4N4O3 180.02834 NA MeJP NA NA +JH133 Syringic acid [M+H-H20]+ NA 180.0399 11.87 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH133 Syringic acid [M+H-H20]+ NA 180.0399 11.87 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH133 Syringic acid [M+H-H20]+ NA 180.0399 11.87 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH133 Syringic acid [M+H-H20]+ NA 180.0399 11.87 Inhousejuil11 NA NA +JH096 Caffeic acid [M+H]+ C9H8O4 180.0417 Rtobs12.21 PFEM_hmdb_metabocards_urine NA urine +JH096 Caffeic acid [M+H]+ C9H8O4 180.0417 12.21 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH096 Caffeic acid [M+H]+ C9H8O4 180.0417 Rtobs12.21 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH096 Caffeic acid [M+H]+ C9H8O4 180.0417 12.21 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH096 Caffeic acid [M+H]+ C9H8O4 180.0417 Rtobs12.21 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH096 Caffeic acid [M+H]+ C9H8O4 180.0417 12.21 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH096 Caffeic acid [M+H]+ C9H8O4 180.0417 Rtobs12.21 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH096 Caffeic acid [M+H]+ C9H8O4 180.0417 Rtobs12.21 HMDB NA NA +JH096 Caffeic acid [M+H]+ C9H8O4 180.0417 Rtobs12.21 Inhouse_PFEM NA NA +JH096 Caffeic acid [M+H]+ C9H8O4 180.0417 12.21 Inhousejuil11 NA NA +JH096 Caffeic acid [M+H]+ C9H8O4 180.0417 Rtobs12.21 PFEM_hmdb_metabocards_blood NA blood +JH096 Caffeic acid [M+H]+ C9H8O4 180.0417 Rtobs12.21 PFEM_hmdb_metabocards_official NA NA +HMDB00707 4-Hydroxyphenylpyruvic acid C9H8O4 180.042252 NA HMDB2010 NA NA +HMDB01879 Aspirin C9H8O4 180.042252 NA HMDB2010 NA NA +HMDB01964 Caffeic acid C9H8O4 180.042252 NA HMDB2010 NA NA +HMDB02130 Monomethyl phthalate C9H8O4 180.042252 NA HMDB2010 NA NA +HMDB03501 3,4-Dihydroxy-trans-cinnamate C9H8O4 180.042252 NA HMDB2010 NA NA +HMDB06915 2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid C9H8O4 180.042252 NA HMDB2010 NA NA +HMDB11663 3-Hydroxyphenylpyruvic acid C9H8O4 180.042252 NA HMDB2010 NA NA +MJ004925 3,4-Dihydroxy-trans-cinnamate C9H8O4 180.042258 NA MeJP NA NA +MJ004926 2-Hydroxy-3-(4-hydroxyphenyl)propenoate C9H8O4 180.042258 NA MeJP NA NA +MJ004927 3-(4-Hydroxyphenyl)pyruvate C9H8O4 180.042258 NA MeJP NA NA +MJ004928 2,2,6-Trihydroxy-2H-1-benzopyran C9H8O4 180.042258 NA MeJP NA NA +MJ004929 2-Acetoxybenzoic acid C9H8O4 180.042258 NA MeJP NA NA +MJ004930 2-Formyl-3-hydroxybenzoic acid; Acid-form, Me ester C9H8O4 180.042258 NA MeJP NA NA +MJ004931 2-Hydroxy-4,5-methylenedioxybenzaldehyde; Me ether C9H8O4 180.042258 NA MeJP NA NA +MJ004932 2-Hydroxy-6-(hydroxymethyl)benzaldehyde; 1''-O-Formyl C9H8O4 180.042258 NA MeJP NA NA +MJ004933 3-(2,3-Dihydroxyphenyl)-2-propenoic acid C9H8O4 180.042258 NA MeJP NA NA +MJ004934 3-(2,5-Dihydroxyphenyl)-2-propenoic acid C9H8O4 180.042258 NA MeJP NA NA +MJ004935 3-(3,4-Dihydroxyphenyl)-2-propenoic acid C9H8O4 180.042258 NA MeJP NA NA +MJ004936 3-(3,5-Dihydroxyphenyl)-2-propenoic acid C9H8O4 180.042258 NA MeJP NA NA +MJ004937 3-(4-Hydroxyphenyl)-2-oxopropanoic acid C9H8O4 180.042258 NA MeJP NA NA +MJ004938 4,5-Dihydroxy-1,3-benzenedicarboxaldehyde; 5-Me ether C9H8O4 180.042258 NA MeJP NA NA +MJ004939 5,7-Dihydroxy-1(3H)-isobenzofuranone; 5-Me ether C9H8O4 180.042258 NA MeJP NA NA +MJ004940 5,7-Dihydroxy-4-methyl-1(3H)-isobenzofuranone C9H8O4 180.042258 NA MeJP NA NA +MJ004941 5,7-Dihydroxy-6-methyl-1(3H)-isobenzofuranone C9H8O4 180.042258 NA MeJP NA NA +MJ004942 Carolic acid, 5,6-Didehydro C9H8O4 180.042258 NA MeJP NA NA +MetaCyc01522 p-hydroxyphenylpyruvate [hydroxyphenylpyruvate;4-hydroxyphenylpyruvate;] C9H8O4 180.042259 156-39-8 metacyc NA NA +MetaCyc01523 trans-Caffeate [caffeic acid;3,4-dihydroxy-trans-cinnamate;] C9H8O4 180.042259 NA metacyc NA NA +MetaCyc01524 aspirin [Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate;] C9H8O4 180.042259 50-78-2 metacyc NA NA +MetaCyc01525 caffeate [caffeic acid;] C9H8O4 180.042259 NA metacyc NA NA +MetaCyc01526 3-(4-hydroxyphenyl)pyruvate [4-hydroxyphenylpyruvate;p-hydroxyphenylpyruvic acid;] C9H8O4 180.042259 NA metacyc NA NA +MetaCyc01527 benzylmalonate [] C9H8O4 180.042259 NA metacyc NA NA +EUR626 caffeic acid NA 180.04226 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +EUR626 caffeic acid NA 180.04226 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR626 caffeic acid NA 180.04226 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR626 caffeic acid NA 180.04226 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR626 caffeic acid NA 180.04226 identifiés dans standard mixture NuGO HMDB NA NA +EUR626 caffeic acid NA 180.04226 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +EUR626 caffeic acid NA 180.04226 181.04946 Inhouse_sept12 NA NA +EUR626 caffeic acid NA 180.04226 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR626 caffeic acid NA 180.04226 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +HMDB00707 Hydroxyphenylpyruvic acid C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB00707 PFEM_hmdb_metabocards_urine NA urine +HMDB01964 Caffeic acid C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB01964 PFEM_hmdb_metabocards_urine NA urine +HMDB00707 Hydroxyphenylpyruvic acid C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB00707 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01879 Aspirin C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB01879 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01964 Caffeic acid C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB01964 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00707 Hydroxyphenylpyruvic acid C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB00707 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01964 Caffeic acid C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB01964 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00707 Hydroxyphenylpyruvic acid C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB00707 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01964 Caffeic acid C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB01964 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00707 Hydroxyphenylpyruvic acid C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB00707 HMDB NA NA +HMDB01879 Aspirin C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB01879 HMDB NA NA +HMDB01964 Caffeic acid C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB01964 HMDB NA NA +HMDB02130 Monomethyl phthalate C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB02130 HMDB NA NA +HMDB03501 3,4-Dihydroxy-trans-cinnamate C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB03501 HMDB NA NA +HMDB06915 2-Hydroxy-3-(4-hydroxyphenyl)propenoate C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB06915 HMDB NA NA +HMDB00707 Hydroxyphenylpyruvic acid C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB00707 PFEM_hmdb_metabocards_blood NA blood +HMDB01879 Aspirin C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB01879 PFEM_hmdb_metabocards_blood NA blood +HMDB01964 Caffeic acid C9H8O4 180.04227 http://www.hmdb.ca/metabolites/HMDB01964 PFEM_hmdb_metabocards_blood NA blood +HMDB00707 Hydroxyphenylpyruvic acid C9H8O4 180.04227 HMDB00707 PFEM_hmdb_metabocards_official NA NA +HMDB01879 Aspirin C9H8O4 180.04227 HMDB01879 PFEM_hmdb_metabocards_official NA NA +HMDB01964 Caffeic acid C9H8O4 180.04227 HMDB01964 PFEM_hmdb_metabocards_official NA NA +HMDB02130 Monomethyl phthalate C9H8O4 180.04227 HMDB02130 PFEM_hmdb_metabocards_official NA NA +HMDB03501 3,4-Dihydroxy-trans-cinnamate C9H8O4 180.04227 HMDB03501 PFEM_hmdb_metabocards_official NA NA +HMDB06915 2-Hydroxy-3-(4-hydroxyphenyl)propenoate C9H8O4 180.04227 HMDB06915 PFEM_hmdb_metabocards_official NA NA +EUR626 caffeic acid [M+H]+ 180.0423 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR626 caffeic acid [M+H]+ 180.0423 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR626 caffeic acid [M+H]+ 180.0423 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR626 caffeic acid [M+H]+ 180.0423 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C01179 3-(4-Hydroxyphenyl)pyruvate C9H8O4 180.0423 NA KEGG NA NA +C01197 Caffeate C9H8O4 180.0423 NA KEGG NA NA +C01405 Aspirin C9H8O4 180.0423 NA KEGG NA NA +C01406 Azocoll C9H8O4 180.0423 NA KEGG NA NA +C01481 Caffeate C9H8O4 180.0423 NA KEGG NA NA +C05350 2-Hydroxy-3-(4-hydroxyphenyl)propenoate C9H8O4 180.0423 NA KEGG NA NA +C05351 Phenylamide sulfate C9H8O4 180.0423 NA KEGG NA NA +C12623 trans-2,3-Dihydroxycinnamate C9H8O4 180.0423 NA KEGG NA NA +MLBis003 caffeic acid HMDB01964_RT6.4_add163, 145 180.0429 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis003 caffeic acid HMDB01964_RT6.4_add163, 145 180.0429 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis003 caffeic acid HMDB01964_RT6.4_add163, 145 180.0429 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis003 caffeic acid HMDB01964_RT6.4_add163, 145 180.0429 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis003 caffeic acid HMDB01964_RT6.4_add163, 145 180.0429 Mlbis HMDB NA NA +MLBis003 caffeic acid HMDB01964_RT6.4_add163, 145 180.0429 Mlbis Inhouse_PFEM NA NA +MLBis003 caffeic acid HMDB01964_RT6.4_add163, 145 180.0429 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis003 caffeic acid HMDB01964_RT6.4_add163, 145 180.0429 Mlbis PFEM_hmdb_metabocards_official NA NA +CJpos0430 5-Methylthioribose [(M+H)]+ C6H13O4S 180.045075 C18rt(min)=1.09 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0430 5-Methylthioribose [(M+H)]+ C6H13O4S 180.045075 C18rt(min)=1.09 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C03089 5-Methylthio-D-ribose C6H12O4S 180.0456 NA KEGG NA NA +HMDB01087 5-Methylthioribose C6H12O4S 180.04562 http://www.hmdb.ca/metabolites/HMDB01087 HMDB NA NA +HMDB01087 5-Methylthioribose C6H12O4S 180.04562 HMDB01087 PFEM_hmdb_metabocards_official NA NA +HMDB01087 5-Methylthioribose C6H12O4S 180.045624 NA HMDB2010 NA NA +MetaCyc01528 5-methylthioribose [S5-methyl-5-thio-D-ribose;5-methylthio-D-ribose;MTR;S-methyl-5-thio-D-ribose;] C6H12O4S1 180.04563 NA metacyc NA NA +MJ004943 3-Pyridinecarboxaldehyde; Thiosemicarbazone C7H8N4S 180.046966 NA MeJP NA NA +C14623 6-(Ethylthio)purine C7H8N4S 180.047 NA KEGG NA NA +CJpos0431 Nicotinuric acid isomer [(M+H)]+ C8H9N2O3 180.052975 C18rt(min)=5.31 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0431 Nicotinuric acid isomer [(M+H)]+ C8H9N2O3 180.052975 C18rt(min)=5.31 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +EUR350 3-Nitrotyrosine F3 F3 180.053275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR350 3-Nitrotyrosine F3 NA 180.053275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR350 3-Nitrotyrosine F3 F3 180.053275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR350 3-Nitrotyrosine F3 NA 180.053275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR350 3-Nitrotyrosine F3 F3 180.053275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR350 3-Nitrotyrosine F3 NA 180.053275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR350 3-Nitrotyrosine F3 F3 180.053275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR350 3-Nitrotyrosine F3 F3 180.053275 standards wishlist analysés sur QTOF HMDB NA NA +EUR350 3-Nitrotyrosine F3 F3 180.053275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR350 3-Nitrotyrosine F3 NA 180.053275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR350 3-Nitrotyrosine F3 F3 180.053275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR350 3-Nitrotyrosine F3 F3 180.053275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ004944 Nicotinurate C8H8N2O3 180.053492 NA MeJP NA NA +MJ004945 3-Acetyl-2,5-diamino-1,4-benzoquinone C8H8N2O3 180.053492 NA MeJP NA NA +MJ004946 Nicotinuric acid C8H8N2O3 180.053492 NA MeJP NA NA +HMDB03269 Nicotinuric acid C8H8N2O3 180.053497 NA HMDB2010 NA NA +HMDB03269 Nicotinuric acid C8H8N2O3 180.0535 http://www.hmdb.ca/metabolites/HMDB03269 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03269 Nicotinuric acid C8H8N2O3 180.0535 http://www.hmdb.ca/metabolites/HMDB03269 HMDB NA NA +C05380 Nicotinurate C8H8N2O3 180.0535 NA KEGG NA NA +C16623 Isonicotinylglycine C8H8N2O3 180.0535 NA KEGG NA NA +HMDB03269 Nicotinuric acid C8H8N2O3 180.0535 http://www.hmdb.ca/metabolites/HMDB03269 PFEM_hmdb_metabocards_blood NA blood +HMDB03269 Nicotinuric acid C8H8N2O3 180.0535 HMDB03269 PFEM_hmdb_metabocards_official NA NA +HMDB03269 Nicotinuric acid C8H8N2O3 180.0535 NA ;SYN:3,3'-Diselenobisalanine; 3,3'-Diselenodialanine; D,L-Selenocystine; DL-Selenocystine; Selenium cystine; Seleno-DL-cystineH2Blood Inhouse_peptide NA peptide +CJneg0263 Nicotinuric acid isomer [(M-H)]- C8H7N2O3 180.054025 C18rt(min)=5.31 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0263 Nicotinuric acid isomer [(M-H)]- C8H7N2O3 180.054025 C18rt(min)=5.31 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ004947 Methionine sulfoximine C5H12N2O3S 180.056862 NA MeJP NA NA +C03510 L-Methionine sulfoximine C5H12N2O3S 180.0569 NA KEGG NA NA +C03511 L-Phenylalanyl-tRNA(Phe) C19H26NO11PR2 180.0569 NA KEGG NA NA +C03512 L-Tryptophanyl-tRNA(Trp) C26H31N7O11PR 180.0569 NA KEGG NA NA +C03829 2S,5S-Methionine sulfoximine C5H12N2O3S 180.0569 NA KEGG NA NA +C06712 Fluoren-9-one C13H8O 180.0575 NA KEGG NA NA +MJ004948 1,11-Tridecadiene-3,5,7,9-tetrayne; 1,2-Epoxide C13H8O 180.057514 NA MeJP NA NA +MJ004949 1,11-Tridecadiene-3,5,7,9-tetrayne; 11,12-Epoxide C13H8O 180.057514 NA MeJP NA NA +MJ004950 1,3-Tridecadiene-5,7,9,11-tetrayne, 1,2-Epoxide C13H8O 180.057514 NA MeJP NA NA +MJ004951 12-Tridecene-4,6,8,10-tetraynal C13H8O 180.057514 NA MeJP NA NA +MJ004952 2,10,12-Tridecatriene-4,6,8-triyn-1-ol, Aldehyde C13H8O 180.057514 NA MeJP NA NA +MJ004953 2,12-Tridecadiene-4,6,8,10-tetrayn-1-ol C13H8O 180.057514 NA MeJP NA NA +MJ004954 2-(1-Nonene-3,5,7-triynyl)furan C13H8O 180.057514 NA MeJP NA NA +MJ004955 7-Phenyl-2,4,6-heptatriyn-1-ol C13H8O 180.057514 NA MeJP NA NA +MJ004956 7-Phenyl-2-heptene-4,6-diynal C13H8O 180.057514 NA MeJP NA NA +MJ004957 Fluoren-9-one C13H8O 180.057514 NA MeJP NA NA +MetaCyc01529 9-fluorenone [Fluorenone;9H-Fluoren-9-one;] C13H8O1 180.057515 486-25-9 metacyc NA NA +CJpos0432 Hippuric acid [(M+H)]+ (13C) C813CH10NO3 180.061075 C18rt(min)=5.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0432 Hippuric acid [(M+H)]+ (13C) C813CH10NO3 180.061075 C18rt(min)=5.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJneg0264 Hippuric acid [(M-H)]- (13C) C813CH8NO3 180.062125 C18rt(min)=5.87 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0264 Hippuric acid [(M-H)]- (13C) C813CH8NO3 180.062125 C18rt(min)=5.87 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +HMDB00122 D-Glucose C6H12O6 180.063385 NA HMDB2010 NA NA +HMDB00143 D-Galactose C6H12O6 180.063385 NA HMDB2010 NA NA +HMDB00169 D-Mannose C6H12O6 180.063385 NA HMDB2010 NA NA +HMDB00211 Myoinositol C6H12O6 180.063385 NA HMDB2010 NA NA +HMDB00346 3-Deoxyarabinohexonic acid C6H12O6 180.063385 NA HMDB2010 NA NA +HMDB00516 Beta-D-Glucose C6H12O6 180.063385 NA HMDB2010 NA NA +HMDB00660 D-Fructose C6H12O6 180.063385 NA HMDB2010 NA NA +HMDB01151 Allose C6H12O6 180.063385 NA HMDB2010 NA NA +HMDB01266 L-Sorbose C6H12O6 180.063385 NA HMDB2010 NA NA +HMDB03345 Alpha-D-Glucose C6H12O6 180.063385 NA HMDB2010 NA NA +HMDB03418 D-Tagatose C6H12O6 180.063385 NA HMDB2010 NA NA +HMDB03449 Beta-D-Galactose C6H12O6 180.063385 NA HMDB2010 NA NA +HMDB06088 Scyllitol C6H12O6 180.063385 NA HMDB2010 NA NA +HMDB12326 L-Gulose C6H12O6 180.063385 NA HMDB2010 NA NA +MJ004958 D-Fructose C6H12O6 180.063388 NA MeJP NA NA +MJ004959 D-Galactose C6H12O6 180.063388 NA MeJP NA NA +MJ004960 D-Glucose C6H12O6 180.063388 NA MeJP NA NA +MJ004961 D-Mannose C6H12O6 180.063388 NA MeJP NA NA +MJ004962 D-Tagatose C6H12O6 180.063388 NA MeJP NA NA +MJ004963 L-Rhamnonate C6H12O6 180.063388 NA MeJP NA NA +MJ004964 L-Sorbose C6H12O6 180.063388 NA MeJP NA NA +MJ004965 alpha-D-Glucose C6H12O6 180.063388 NA MeJP NA NA +MJ004966 beta-D-Fructose C6H12O6 180.063388 NA MeJP NA NA +MJ004967 beta-D-Galactose C6H12O6 180.063388 NA MeJP NA NA +MJ004968 beta-D-Glucose C6H12O6 180.063388 NA MeJP NA NA +MJ004969 myo-Inositol C6H12O6 180.063388 NA MeJP NA NA +MJ004970 6-Deoxymannonic acid C6H12O6 180.063388 NA MeJP NA NA +MJ004971 Allose C6H12O6 180.063388 NA MeJP NA NA +MJ004972 Fructose C6H12O6 180.063388 NA MeJP NA NA +MJ004973 Fuconic acid C6H12O6 180.063388 NA MeJP NA NA +MJ004974 Galactose C6H12O6 180.063388 NA MeJP NA NA +MJ004975 Glucose; D-Pyranose-form C6H12O6 180.063388 NA MeJP NA NA +MJ004976 Glucose C6H12O6 180.063388 NA MeJP NA NA +MJ004977 Mannose C6H12O6 180.063388 NA MeJP NA NA +MJ004978 Psicose C6H12O6 180.063388 NA MeJP NA NA +MJ004979 Sorbose C6H12O6 180.063388 NA MeJP NA NA +MJ004980 Tagatose C6H12O6 180.063388 NA MeJP NA NA +MJ004981 Talose; ?-D-Furanose-form C6H12O6 180.063388 NA MeJP NA NA +MJ004982 Xylonic acid, Me ester C6H12O6 180.063388 NA MeJP NA NA +MJ004983 chiro-Inositol C6H12O6 180.063388 NA MeJP NA NA +MJ004984 muco-Inositol C6H12O6 180.063388 NA MeJP NA NA +MJ004985 myo-Inositol C6H12O6 180.063388 NA MeJP NA NA +MJ004986 neo-Inositol C6H12O6 180.063388 NA MeJP NA NA +MJ004987 scyllo-Inositol C6H12O6 180.063388 NA MeJP NA NA +MetaCyc01530 L-rhamnonate [] C6H12O6 180.063388 6422-34-0 metacyc NA NA +MetaCyc01531 L-galactose [] C6H12O6 180.063388 NA metacyc NA NA +MetaCyc01532 2-deoxygluconate [de-O-gluconate;2-deoxy-D-gluconate;2-deoxygluconic acid;2-deoxy-D-gluconic acid;] C6H12O6 180.063388 3442-69-1 metacyc NA NA +MetaCyc01533 D-hamamelose [] C6H12O6 180.063388 4573-78-8 metacyc NA NA +MetaCyc01534 D-fuconate [] C6H12O6 180.063388 NA metacyc NA NA +MetaCyc01535 L-Fuconate [] C6H12O6 180.063388 26372-13-4 metacyc NA NA +MetaCyc01536 myo-inositol [chiro-inositol;mesoinositol;inositol;] C6H12O6 180.063388 87-89-8 metacyc NA NA +MetaCyc01537 L-glucose [] C6H12O6 180.063388 921-60-8 metacyc NA NA +MetaCyc01538 β-D-glucose [glucose;dextrose;glc;glc-ring;D-glucose-ring;D-glucose;glucoside;β-D-glucopyranose;β-glucose;6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetraol;] C6H12O6 180.063388 50-99-7 metacyc NA NA +MetaCyc01539 α-D-glucose [α-glucose;D-glucose;glucose;6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetraol;] C6H12O6 180.063388 NA metacyc NA NA +MetaCyc01540 β-D-galactose [galactose;galactopyranoside;galactopyranose;D-galactose;cerebrose;6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetraol;] C6H12O6 180.063388 59-23-4 metacyc NA NA +MetaCyc01541 α-D-galactose [α-galactose;6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetraol;] C6H12O6 180.063388 NA metacyc NA NA +MetaCyc01542 D-psicose [D-ribo-2-ketohexose;D-ribo-2-hexulose;D-psicose;allulose;psicose;] C6H12O6 180.063388 23140-52-5 metacyc NA NA +MetaCyc01543 β-D-fructose [] C6H12O6 180.063388 NA metacyc NA NA +MetaCyc01544 D-allose [allose;β-D-allose;] C6H12O6 180.063388 2595-97-3 metacyc NA NA +MetaCyc01545 tagatose [D-tagatose;] C6H12O6 180.063388 17598-81-1 metacyc NA NA +MetaCyc01546 sorbose [L-sorbose;D-sorbose;] C6H12O6 180.063388 87-79-6 metacyc NA NA +MetaCyc01547 mannose [mannopyranoside;mannopyranose;D-mannose;] C6H12O6 180.063388 3458-28-4 metacyc NA NA +MetaCyc01548 idose [idopyranose;idose;] C6H12O6 180.063388 2152-76-3 metacyc NA NA +MetaCyc01549 gulose [α-D-gulopyranose;] C6H12O6 180.063388 19163-87-2 metacyc NA NA +MetaCyc01550 fructose [laevosan;levugen;laevoral;fructosteril;levulose;fru;fru-ring;D-fructose-ring;D-fructose;] C6H12O6 180.063388 30237-26-4 metacyc NA NA +MetaCyc01551 altrose [D-altropyranose;D-altrose;] C6H12O6 180.063388 5987-68-8 metacyc NA NA +HMDB00122 D-Glucose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00122 PFEM_hmdb_metabocards_urine NA urine +HMDB00143 D-Galactose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00143 PFEM_hmdb_metabocards_urine NA urine +EUR041 Glucose C6H12O6 180.06339 Wishlist PFEM_hmdb_metabocards_urine NA urine +HMDB00122 D-Glucose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00122 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00143 D-Galactose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00143 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00169 D-Mannose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00169 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00211 Myoinositol C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00211 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00660 D-Fructose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00660 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06088 epi-inositol C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB06088 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR041 Glucose C6H12O6 180.06339 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00122 D-Glucose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00122 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00143 D-Galactose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00143 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR041 Glucose C6H12O6 180.06339 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00122 D-Glucose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00122 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00143 D-Galactose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00143 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR041 Glucose C6H12O6 180.06339 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00122 D-Glucose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00122 HMDB NA NA +HMDB00143 D-Galactose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00143 HMDB NA NA +HMDB00169 D-Mannose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00169 HMDB NA NA +HMDB00211 Myoinositol C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00211 HMDB NA NA +HMDB00346 3-Deoxyarabinohexonic acid C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00346 HMDB NA NA +HMDB00516 beta-D-Glucose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00516 HMDB NA NA +HMDB00660 D-Fructose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00660 HMDB NA NA +HMDB01151 Allose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB01151 HMDB NA NA +HMDB01266 L-Sorbose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB01266 HMDB NA NA +HMDB03345 alpha-D-Glucose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB03345 HMDB NA NA +HMDB03418 D-Tagatose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB03418 HMDB NA NA +HMDB03449 beta-D-Galactose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB03449 HMDB NA NA +HMDB06088 epi-inositol C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB06088 HMDB NA NA +EUR041 Glucose C6H12O6 180.06339 Wishlist HMDB NA NA +EUR041 Glucose C6H12O6 180.06339 Wishlist Inhouse_PFEM NA NA +HMDB00122 D-Glucose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00122 PFEM_hmdb_metabocards_blood NA blood +HMDB00143 D-Galactose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00143 PFEM_hmdb_metabocards_blood NA blood +HMDB00169 D-Mannose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00169 PFEM_hmdb_metabocards_blood NA blood +HMDB00211 Myoinositol C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00211 PFEM_hmdb_metabocards_blood NA blood +HMDB00660 D-Fructose C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB00660 PFEM_hmdb_metabocards_blood NA blood +HMDB06088 epi-inositol C6H12O6 180.06339 http://www.hmdb.ca/metabolites/HMDB06088 PFEM_hmdb_metabocards_blood NA blood +EUR041 Glucose C6H12O6 180.06339 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR041 Glucose C6H12O6 180.06339 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00122 D-Glucose C6H12O6 180.06339 HMDB00122 PFEM_hmdb_metabocards_official NA NA +HMDB00143 D-Galactose C6H12O6 180.06339 HMDB00143 PFEM_hmdb_metabocards_official NA NA +HMDB00169 D-Mannose C6H12O6 180.06339 HMDB00169 PFEM_hmdb_metabocards_official NA NA +HMDB00211 Myoinositol C6H12O6 180.06339 HMDB00211 PFEM_hmdb_metabocards_official NA NA +HMDB00346 3-Deoxyarabinohexonic acid C6H12O6 180.06339 HMDB00346 PFEM_hmdb_metabocards_official NA NA +HMDB00516 beta-D-Glucose C6H12O6 180.06339 HMDB00516 PFEM_hmdb_metabocards_official NA NA +HMDB00660 D-Fructose C6H12O6 180.06339 HMDB00660 PFEM_hmdb_metabocards_official NA NA +HMDB01151 Allose C6H12O6 180.06339 HMDB01151 PFEM_hmdb_metabocards_official NA NA +HMDB01266 L-Sorbose C6H12O6 180.06339 HMDB01266 PFEM_hmdb_metabocards_official NA NA +HMDB03345 alpha-D-Glucose C6H12O6 180.06339 HMDB03345 PFEM_hmdb_metabocards_official NA NA +HMDB03418 D-Tagatose C6H12O6 180.06339 HMDB03418 PFEM_hmdb_metabocards_official NA NA +HMDB03449 beta-D-Galactose C6H12O6 180.06339 HMDB03449 PFEM_hmdb_metabocards_official NA NA +HMDB06088 epi-inositol C6H12O6 180.06339 HMDB06088 PFEM_hmdb_metabocards_official NA NA +EUR041 Glucose C6H12O6 180.0634 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR041 Glucose C6H12O6 180.0634 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR041 Glucose C6H12O6 180.0634 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR041 Glucose C6H12O6 180.0634 Wishlist Inhousejuil11 NA NA +C00031 D-Glucose C6H12O6 180.0634 NA KEGG NA NA +C00095 D-Fructose C6H12O6 180.0634 NA KEGG NA NA +C00124 D-Galactose C6H12O6 180.0634 NA KEGG NA NA +C00125 Ferricytochrome c C42H44FeN8O8S2R4 180.0634 NA KEGG NA NA +C00126 Ferrocytochrome c C42H44FeN8O8S2R4 180.0634 NA KEGG NA NA +C00137 myo-Inositol C6H12O6 180.0634 NA KEGG NA NA +C00138 Reduced ferredoxin C6H12O6 180.0634 NA KEGG NA NA +C00139 Oxidized ferredoxin C6H12O6 180.0634 NA KEGG NA NA +C00159 D-Mannose C6H12O6 180.0634 NA KEGG NA NA +C00221 beta-D-Glucose C6H12O6 180.0634 NA KEGG NA NA +C00247 L-Sorbose C6H12O6 180.0634 NA KEGG NA NA +C00267 alpha-D-Glucose C6H12O6 180.0634 NA KEGG NA NA +C00737 D-Aldose C6H12O6 180.0634 NA KEGG NA NA +C00738 D-Hexose C6H12O6 180.0634 NA KEGG NA NA +C00764 D-Sorbose C6H12O6 180.0634 NA KEGG NA NA +C00795 D-Tagatose C6H12O6 180.0634 NA KEGG NA NA +C00936 alpha-D-Mannose C6H12O6 180.0634 NA KEGG NA NA +C00962 beta-D-Galactose C6H12O6 180.0634 NA KEGG NA NA +C00963 beta-D-Glucoside C6H11O6R 180.0634 NA KEGG NA NA +C00984 alpha-D-Galactose C6H12O6 180.0634 NA KEGG NA NA +C01383 Ketose C6H12O6 180.0634 NA KEGG NA NA +C01452 Sorbose C6H12O6 180.0634 NA KEGG NA NA +C01487 D-Allose C6H12O6 180.0634 NA KEGG NA NA +C01582 Galactose C6H12O6 180.0634 NA KEGG NA NA +C01662 Aldohexose C6H12O6 180.0634 NA KEGG NA NA +C01663 Alkylamide CH2NOR 180.0634 NA KEGG NA NA +C01664 Alkylamine NH2R 180.0634 NA KEGG NA NA +C01667 Bacitracin NH2R 180.0634 NA KEGG NA NA +C01680 D-Fuconate C6H12O6 180.0634 NA KEGG NA NA +C01719 L-Fructose C6H12O6 180.0634 NA KEGG NA NA +C01720 L-Fuconate C6H12O6 180.0634 NA KEGG NA NA +C01825 L-Galactose C6H12O6 180.0634 NA KEGG NA NA +C01906 D-Hamamelose C6H12O6 180.0634 NA KEGG NA NA +C01934 L-Rhamnonate C6H12O6 180.0634 NA KEGG NA NA +C01935 Maltodextrin C6H12O6 180.0634 NA KEGG NA NA +C02209 beta-D-Mannose C6H12O6 180.0634 NA KEGG NA NA +C02210 beta-Endorphin C6H12O6 180.0634 NA KEGG NA NA +C02211 tRNA precursor C10H17O10PR2 180.0634 NA KEGG NA NA +C02336 beta-D-Fructose C6H12O6 180.0634 NA KEGG NA NA +C02337 beta-D-Xyloside C5H9O5R 180.0634 NA KEGG NA NA +C02782 2-Deoxy-D-gluconate C6H12O6 180.0634 NA KEGG NA NA +C05003 Fructose(pyranose) C6H12O6 180.0634 NA KEGG NA NA +C05005 Glycolipid C6H12O6 180.0634 NA KEGG NA NA +C05009 Heme-thiolate(P-450) C38H37FeN6O6SR2 180.0634 NA KEGG NA NA +C06152 muco-Inositol C6H12O6 180.0634 NA KEGG NA NA +C06153 scyllo-Inositol C6H12O6 180.0634 NA KEGG NA NA +C06464 D-Altrose C6H12O6 180.0634 NA KEGG NA NA +C06465 D-Gulose C6H12O6 180.0634 NA KEGG NA NA +C06466 D-Idose C6H12O6 180.0634 NA KEGG NA NA +C06467 D-Talose C6H12O6 180.0634 NA KEGG NA NA +C06468 D-Psicose C6H12O6 180.0634 NA KEGG NA NA +C08351 beta-D-Hamamelopyranose C6H12O6 180.0634 NA KEGG NA NA +C08356 alpha-L-Sorbopyranose C6H12O6 180.0634 NA KEGG NA NA +C10906 D-Fructose C6H12O6 180.0634 NA KEGG NA NA +C15923 L-Gulose C6H12O6 180.0634 NA KEGG NA NA +CJneg0265 Hexose [(M-H)]- C6H11O6 180.063925 C18rt(min)=0.92 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0265 Hexose [(M-H)]- C6H11O6 180.063925 C18rt(min)=0.92 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0433 Paraxanthine Theophylline [(M+H)]+ C7H9N4O2 180.064175 C18rt(min)=5.1 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0434 Theobromine [(M+H)]+ C7H9N4O2 180.064175 C18rt(min)=4.79 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0433 Paraxanthine § Theophylline [(M+H)]+ C7H9N4O2 180.064175 C18rt(min)=5.1 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0434 Theobromine [(M+H)]+ C7H9N4O2 180.064175 C18rt(min)=4.79 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +C07130 Theophylline C7H8N4O2 180.0647 NA KEGG NA NA +C07131 Transferred to D00372 C7H8N4O2 180.0647 NA KEGG NA NA +C07480 Theobromine C7H8N4O2 180.0647 NA KEGG NA NA +C13747 1,7-Dimethylxanthine C7H8N4O2 180.0647 NA KEGG NA NA +MJ004988 Theobromine C7H8N4O2 180.064725 NA MeJP NA NA +MJ004989 Theophylline C7H8N4O2 180.064725 NA MeJP NA NA +MJ004990 Xanthine; 7H-form, 1,7-Di-Me C7H8N4O2 180.064725 NA MeJP NA NA +MetaCyc01552 theobromine [3,7-dimethylxanthine;] C7H8N4O2 180.064726 NA metacyc NA NA +MetaCyc01553 paraxanthine [1,7-dimethylxanthine;] C7H8N4O2 180.064726 NA metacyc NA NA +HMDB01860 Paraxanthine C7H8N4O2 180.064728 NA HMDB2010 NA NA +HMDB01889 Theophylline C7H8N4O2 180.064728 NA HMDB2010 NA NA +HMDB02825 Theobromine C7H8N4O2 180.064728 NA HMDB2010 NA NA +HMDB01860 Paraxanthine C7H8N4O2 180.06473 http://www.hmdb.ca/metabolites/HMDB01860 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01889 Theophylline C7H8N4O2 180.06473 http://www.hmdb.ca/metabolites/HMDB01889 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02825 Theobromine C7H8N4O2 180.06473 http://www.hmdb.ca/metabolites/HMDB02825 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01860 Paraxanthine C7H8N4O2 180.06473 http://www.hmdb.ca/metabolites/HMDB01860 HMDB NA NA +HMDB01889 Theophylline C7H8N4O2 180.06473 http://www.hmdb.ca/metabolites/HMDB01889 HMDB NA NA +HMDB02825 Theobromine C7H8N4O2 180.06473 http://www.hmdb.ca/metabolites/HMDB02825 HMDB NA NA +HMDB01860 Paraxanthine C7H8N4O2 180.06473 http://www.hmdb.ca/metabolites/HMDB01860 PFEM_hmdb_metabocards_blood NA blood +HMDB01889 Theophylline C7H8N4O2 180.06473 http://www.hmdb.ca/metabolites/HMDB01889 PFEM_hmdb_metabocards_blood NA blood +HMDB02825 Theobromine C7H8N4O2 180.06473 http://www.hmdb.ca/metabolites/HMDB02825 PFEM_hmdb_metabocards_blood NA blood +HMDB01860 Paraxanthine C7H8N4O2 180.06473 HMDB01860 PFEM_hmdb_metabocards_official NA NA +HMDB01889 Theophylline C7H8N4O2 180.06473 HMDB01889 PFEM_hmdb_metabocards_official NA NA +HMDB02825 Theobromine C7H8N4O2 180.06473 HMDB02825 PFEM_hmdb_metabocards_official NA NA +CJneg0266 Paraxanthine / Theophylline [(M-H)]- C7H7N4O2 180.065325 C18rt(min)=5.1 Neg identified a,b,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0267 Theobromine [(M-H)]- C7H7N4O2 180.065325 C18rt(min)=4.79 Neg identified a,b,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0266 Paraxanthine / Theophylline [(M-H)]- C7H7N4O2 180.065325 C18rt(min)=5.1 Neg identified a,b,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0267 Theobromine [(M-H)]- C7H7N4O2 180.065325 C18rt(min)=4.79 Neg identified a,b,c base_CJunot_PubAnalChem2012_NEG negative NA +7640 ACE inhibitor from porcine myosin (79-81) MNP 180.06765 MH2+ Inhouse_peptide NA peptide +9 Myosin MNP 180.068 MH2+ Inhouse_peptide NA peptide +C00604 1,10-Phenanthroline C12H8N2 180.0687 NA KEGG NA NA +C00605 2,3-Dehydroacyl-CoA C24H37N7O17P3SR 180.0687 NA KEGG NA NA +MetaCyc01554 o-phenanthroline [phenanthroline;1,10-phenanthroline;1,10-Fenanthroline;1,10-o-phenanthroline;2-phenanthroline;4,5-diazaphenanthrene;orthophenanthroline;β-phenanthroline;] C12H8N2 180.068748 NA metacyc NA NA +MJ004991 Protionamide C9H12N2S 180.072119 NA MeJP NA NA +C00590 Coniferyl alcohol C10H12O3 180.0786 NA KEGG NA NA +C00591 N-Acylneuraminate C10H16NO9R 180.0786 NA KEGG NA NA +C15475 U 0521 C10H12O3 180.0786 NA KEGG NA NA +HMDB11751 3-Methoxybenzenepropanoic acid C10H12O3 180.078644 NA HMDB2010 NA NA +MJ004992 1,8-Dihydroxy-4,6-decadiyn-3-one C10H12O3 180.078644 NA MeJP NA NA +MJ004993 1-(2,6-Dihydroxyphenyl)-1-butanone C10H12O3 180.078644 NA MeJP NA NA +MJ004994 1-(3,4-Dihydroxyphenyl)-1-propanone; 3-Me ether C10H12O3 180.078644 NA MeJP NA NA +MJ004995 2',4'-Dihydroxy-3',5'-dimethylacetophenone C10H12O3 180.078644 NA MeJP NA NA +MJ004996 2,4-Dihydroxy-3,6-dimethylbenzaldehyde; 2-Me ether C10H12O3 180.078644 NA MeJP NA NA +MJ004997 2,4-Dihydroxy-3,6-dimethylbenzaldehyde; 4-Me ether C10H12O3 180.078644 NA MeJP NA NA +MJ004998 2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one C10H12O3 180.078644 NA MeJP NA NA +MJ004999 2,7-Dihydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one C10H12O3 180.078644 NA MeJP NA NA +MJ005000 2-Hydroxy-3-phenylpropanoic acid, Me ester C10H12O3 180.078644 NA MeJP NA NA +MJ005001 2-Methoxy-6-propyl-1,4-benzoquinone C10H12O3 180.078644 NA MeJP NA NA +MJ005002 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether C10H12O3 180.078644 NA MeJP NA NA +MJ005003 3-(3,5-Dihydroxyphenyl)-2-butanone C10H12O3 180.078644 NA MeJP NA NA +MJ005004 3-Methyl-6-(1-methyl-1-propenyl)-2H-pyran-2-one, 1',2'-Epoxide C10H12O3 180.078644 NA MeJP NA NA +MJ005005 3-Methyl-6-(1-methyl-1-propenyl)-2H-pyran-2-one, 3'-Hydroxy C10H12O3 180.078644 NA MeJP NA NA +MJ005006 4-(3,4-Dihydroxyphenyl)-2-butanone C10H12O3 180.078644 NA MeJP NA NA +MJ005007 4-Hydroxy-3,5-dimethylbenzoic acid; Me ether C10H12O3 180.078644 NA MeJP NA NA +MJ005008 4-Hydroxy-4-phenylbutanoic acid C10H12O3 180.078644 NA MeJP NA NA +MJ005009 4-Hydroxybenzoic acid; Propyl ester C10H12O3 180.078644 NA MeJP NA NA +MJ005010 4-Hydroxybenzoic acid; Propyl ether C10H12O3 180.078644 NA MeJP NA NA +MJ005011 4-Hydroxybenzyl alcohol; 4-Me ether, Ac C10H12O3 180.078644 NA MeJP NA NA +MJ005012 5,6-Dihydro-6-(4-oxo-2-pentenyl)-2H-pyran-2-one C10H12O3 180.078644 NA MeJP NA NA +MJ005013 5-(1-Butenyl)-6-methyl-2H-pyran-2-one, 1'?,2'?-Epoxide C10H12O3 180.078644 NA MeJP NA NA +MJ005014 5-(2-Propenyl)-1,2,3-benzenetriol; 1-Me ether C10H12O3 180.078644 NA MeJP NA NA +MJ005015 5-Hydroxy-p-mentha-1,4-diene-3,6-dione C10H12O3 180.078644 NA MeJP NA NA +MJ005016 8,10-Dihydroxy-4,6-decadiyn-3-one C10H12O3 180.078644 NA MeJP NA NA +MJ005017 Adriadysiolide C10H12O3 180.078644 NA MeJP NA NA +MJ005018 Dihydro-5-(5-hydroxy-3-hexen-1-ynyl)-2(5H)-furanone C10H12O3 180.078644 NA MeJP NA NA +MJ005019 Evodone, 6?-Hydroxy C10H12O3 180.078644 NA MeJP NA NA +MJ005020 Pestalopyrone C10H12O3 180.078644 NA MeJP NA NA +MJ005021 Coniferyl alcohol C10H12O3 180.078644 NA MeJP NA NA +MetaCyc01555 coniferyl alcohol [coniferyl alcohol;4-hydroxy-3-methoxycinnamyl alcohol;3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-ol;4-(3-hydroxy-1-propenyl)-2-methoxyphenol;γ-hydroxyisoeugenol;coniferol;] C10H12O3 180.078644 458-35-5 metacyc NA NA +7491 ACE inhibitor GVW 180.084 MH2+ Inhouse_peptide NA peptide +HMDB04076 5-Hydroxykynurenamine C9H12N2O2 180.08987 http://www.hmdb.ca/metabolites/HMDB04076 HMDB NA NA +HMDB04076 5-Hydroxykynurenamine C9H12N2O2 180.08987 HMDB04076 PFEM_hmdb_metabocards_official NA NA +HMDB04076 5-Hydroxykynurenamine C9H12N2O2 180.089874 NA HMDB2010 NA NA +HMDB13319 Tyrosinamide C9H12N2O2 180.089874 NA HMDB2010 NA NA +MJ005022 3-Hydroxykynurenamine C9H12N2O2 180.089877 NA MeJP NA NA +MJ005023 1,5-Dihydro-3-methyl-1-(5-oxo-2-pyrrolidinyl)-2H-pyrrol-2-one C9H12N2O2 180.089877 NA MeJP NA NA +MJ005024 2-Amino-3-(4-aminophenyl)propanoic acid C9H12N2O2 180.089877 NA MeJP NA NA +MJ005025 3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione C9H12N2O2 180.089877 NA MeJP NA NA +MJ005026 5-(1-Aminoethyl)-3-pyridinecarboxylic acid, Me ester C9H12N2O2 180.089877 NA MeJP NA NA +MJ005027 Antibiotic SF 2771 C9H12N2O2 180.089877 NA MeJP NA NA +MJ005028 Tyrosine, Amide C9H12N2O2 180.089877 NA MeJP NA NA +C05636 3-Hydroxykynurenamine C9H12N2O2 180.0899 NA KEGG NA NA +C05638 5-Hydroxykynurenamine C9H12N2O2 180.0899 NA KEGG NA NA +C12033 p-Aminophenylalanine C9H12N2O2 180.0899 NA KEGG NA NA +7580 ACE inhibitor RW 180.09 MH2+ Inhouse_peptide NA peptide +8214 Antioxidative peptide RW 180.09 MH2+ Inhouse_peptide NA peptide +MJ005029 1,4-Diamino-1,4-dideoxyglucitol C6H16N2O4 180.111007 NA MeJP NA NA +C03929 3-tert-Butyl-5-methylcatechol C11H16O2 180.115 NA KEGG NA NA +MJ005030 1-(3-Hydroxyphenyl)-1-pentanol C11H16O2 180.115029 NA MeJP NA NA +MJ005031 2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene C11H16O2 180.115029 NA MeJP NA NA +MJ005032 2,4,6-Decatrienoic acid, Me ester C11H16O2 180.115029 NA MeJP NA NA +MJ005033 2-Isopropyl-5-methyl-1,4-benzenediol; 2-Me ether C11H16O2 180.115029 NA MeJP NA NA +MJ005034 2-Isopropyl-5-methyl-1,4-benzenediol; 5-Me ether C11H16O2 180.115029 NA MeJP NA NA +MJ005035 3,4-Dimethyl-5-pentylidene-2(5H)-furanone C11H16O2 180.115029 NA MeJP NA NA +MJ005036 5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone C11H16O2 180.115029 NA MeJP NA NA +MJ005037 5-(3,6-Heptadienyl)dihydro-2(3H)-furanone C11H16O2 180.115029 NA MeJP NA NA +MJ005038 6-Ethyl-3-(2-methylpropyl)-2H-pyran-2-one C11H16O2 180.115029 NA MeJP NA NA +MJ005039 Jasmololone C11H16O2 180.115029 NA MeJP NA NA +MJ005040 Jasmolone C11H16O2 180.115029 NA MeJP NA NA +MJ005041 Limonenecarboxylic acid C11H16O2 180.115029 NA MeJP NA NA +MJ005042 Norecasantalol; Carboxylic acid C11H16O2 180.115029 NA MeJP NA NA +MJ005043 p-Mentha-1,3,5-triene-2,8-diol; 2-Me ether C11H16O2 180.115029 NA MeJP NA NA +MJ005044 p-Mentha-1,3,5-triene-2,8-diol; 8-Me ether C11H16O2 180.115029 NA MeJP NA NA +MJ005045 Rilmenidine C10H16N2O 180.126263 NA MeJP NA NA +MJ005046 Smipine C10H16N2O 180.126263 NA MeJP NA NA +C11120 Rilmenidine C10H16N2O 180.1263 NA KEGG NA NA +C10575 Candicine C11H18NO 180.1388 NA KEGG NA NA +C08375 (Z,Z,Z)-3,6,9-Dodecatrien-1-ol C12H20O 180.1514 NA KEGG NA NA +MJ005047 11,12,13-Trinor-5-eudesmene; 5?,6?-Epoxide C12H20O 180.151415 NA MeJP NA NA +MJ005048 2,5,6,6-Tetramethyl-2-cyclohexeneacetaldehyde C12H20O 180.151415 NA MeJP NA NA +MJ005049 2,6-Dodecadienal C12H20O 180.151415 NA MeJP NA NA +MJ005050 2-Hexyl-3-methyl-2-cyclopenten-1-one C12H20O 180.151415 NA MeJP NA NA +MJ005051 3,6,8-Dodecatrien-1-ol C12H20O 180.151415 NA MeJP NA NA +MJ005052 5,7-Dodecadienal C12H20O 180.151415 NA MeJP NA NA +MJ005053 5-Isopropyl-2-propyl-2-cyclohexen-1-one C12H20O 180.151415 NA MeJP NA NA +MJ005054 9,11-Dodecadienal C12H20O 180.151415 NA MeJP NA NA +MJ005055 Geosmin; 7,8-Didehydro C12H20O 180.151415 NA MeJP NA NA +MJ005056 Quinceoxepine; 4,5-Dihydro (cis-) C12H20O 180.151415 NA MeJP NA NA +MJ005057 Quinceoxepine; 4,5-Dihydro (trans-) C12H20O 180.151415 NA MeJP NA NA +MJ005058 Tricycloekasantalol C12H20O 180.151415 NA MeJP NA NA +EUR516 12-HPETE F5 F5 180.151625 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR516 12-HPETE F5 NA 180.151625 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR516 12-HPETE F5 F5 180.151625 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR516 12-HPETE F5 NA 180.151625 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR516 12-HPETE F5 F5 180.151625 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR516 12-HPETE F5 NA 180.151625 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR516 12-HPETE F5 F5 180.151625 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR516 12-HPETE F5 F5 180.151625 standards wishlist analysés sur QTOF HMDB NA NA +EUR516 12-HPETE F5 F5 180.151625 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR516 12-HPETE F5 NA 180.151625 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR516 12-HPETE F5 F5 180.151625 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR516 12-HPETE F5 F5 180.151625 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ005059 1,5-Tridecadiene C13H24 180.1878 NA MeJP NA NA +HMDB04143 Tantalum Ta 180.94798 http://www.hmdb.ca/metabolites/HMDB04143 HMDB NA NA +HMDB04143 Tantalum Ta 180.94798 HMDB04143 PFEM_hmdb_metabocards_official NA NA +HMDB04143 Tantalum [Ta]5+ 180.947983 NA HMDB2010 NA NA +C10910 2-Methylthiobenzothiazole C8H7NS2 181.002 NA KEGG NA NA +C11473 Evisect C5H11NS3 181.0054 NA KEGG NA NA +MJ005060 2,6-Benzothiazolediol; N-Me C8H7NO2S 181.019749 NA MeJP NA NA +MJ005061 Cysteine, S-(Methylthiomethyl) C5H11NO2S2 181.023119 NA MeJP NA NA +CJneg0268 1,7-dimethyluric acid [(M-H)-(CH3•)]- C6H4N4O3 181.036725 C18rt(min)=4.96 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0268 1,7-dimethyluric acid [(M-H)-(CH3•)]- C6H4N4O3 181.036725 C18rt(min)=4.96 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C06050 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate C8H7NO4 181.0375 NA KEGG NA NA +C15770 DIBOA C8H7NO4 181.0375 NA KEGG NA NA +HMDB06954 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate C8H7NO4 181.037506 NA HMDB2010 NA NA +MJ005062 2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one; N-Hydroxy C8H7NO4 181.037507 NA MeJP NA NA +MJ005063 3-Amino-2-hydroxybenzoic acidyl C8H7NO4 181.037507 NA MeJP NA NA +MJ005064 3-Amino-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one, N-Ac, 5-ketone C8H7NO4 181.037507 NA MeJP NA NA +MJ005065 3-Carboxy-1-(carboxymethyl)pyridinium betaine C8H7NO4 181.037507 NA MeJP NA NA +MJ005066 4-(2-Nitroethenyl)-1,2-benzenediol C8H7NO4 181.037507 NA MeJP NA NA +MetaCyc01556 p-nitrophenyl acetate [p-nitrophenyl acetate (VAN);4-nitrophenyl acetate;acetic acid p-nitrophenyl ester;p-acetoxynitrobenzene;p-nitrophenol acetate;acetic acid, 4-nitrophenyl ester;] C8H7N1O4 181.037508 NA metacyc NA NA +MetaCyc01557 DIBOA [2,4-dihydrozy-2H-1,4-benzoxazin-3(4H)-one;] C8H7N1O4 181.037508 NA metacyc NA NA +MJ005067 3-Amino-1-propanesulfonic acid; N-Ac C5H11NO4S 181.040878 NA MeJP NA NA +MetaCyc01558 thioguanine S-methylether [] C6H7N5S1 181.042216 NA metacyc NA NA +MetaCyc01559 thioadenine S-methylether [] C6H7N5S1 181.042216 NA metacyc NA NA +CJpos0435 5-Methylthioribose [(M+H)]+ (13C) C513CH13O4S 181.048475 C18rt(min)=1.09 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0435 5-Methylthioribose [(M+H)]+ (13C) C513CH13O4S 181.048475 C18rt(min)=1.09 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0436 Stachydrine (Proline betaine) [(M+K)]+ C7H13KNO2 181.049975 C18rt(min)=0.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0436 Stachydrine (Proline betaine) [(M+K)]+ C7H13KNO2 181.049975 C18rt(min)=0.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ005068 Glufosinate C5H12NO4P 181.050394 NA MeJP NA NA +C04650 L-2-Amino-4-(hydroxymethylphosphinyl)butanoate C5H12NO4P 181.0504 NA KEGG NA NA +C05042 Phosphinothricin C5H12NO4P 181.0504 NA KEGG NA NA +C05046 Protein(Arg,Arg-Pro) C5H12NO4P 181.0504 NA KEGG NA NA +C05047 Protein(Arg-,Lys-,Phe-) C5H12NO4P 181.0504 NA KEGG NA NA +C05048 Protein(Gly-,Ala-,Val-,Leu-,Ile-) C5H12NO4P 181.0504 NA KEGG NA NA +C05049 Protein(Phe-,Leu) C5H12NO4P 181.0504 NA KEGG NA NA +CJpos0437 Nicotinuric acid isomer [(M+H)]+ (13C) C713CH9N2O3 181.056275 C18rt(min)=5.31 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0437 Nicotinuric acid isomer [(M+H)]+ (13C) C713CH9N2O3 181.056275 C18rt(min)=5.31 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +HMDB06037 8-Hydroxy-7-methylguanine C6H7N5O2 181.05997 http://www.hmdb.ca/metabolites/HMDB06037 HMDB NA NA +HMDB06037 8-Hydroxy-7-methylguanine C6H7N5O2 181.05997 HMDB06037 PFEM_hmdb_metabocards_official NA NA +HMDB06037 8-Hydroxy-7-methylguanine C6H7N5O2 181.059982 NA HMDB2010 NA NA +CJpos0438 Hippuric acid [(M+H)]+ (18O) C9H10NO218O 181.061975 C18rt(min)=5.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0438 Hippuric acid [(M+H)]+ (18O) C9H10NO218O 181.061975 C18rt(min)=5.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJneg0269 Hippuric acid [(M-H)]- (18O) C9H8NO218O 181.063025 C18rt(min)=5.87 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0269 Hippuric acid [(M-H)]- (18O) C9H8NO218O 181.063025 C18rt(min)=5.87 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ005069 Naphtho[2,1-e]-1,2,4-triazine C11H7N3 181.063997 NA MeJP NA NA +CJneg0270 Hexose [(M-H)]- (13C) C513CH11O6 181.067325 C18rt(min)=0.92 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0270 Hexose [(M-H)]- (13C) C513CH11O6 181.067325 C18rt(min)=0.92 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0439 Paraxanthine Theophylline [(M+H)]+ (13C) C613CH9N4O2 181.067575 C18rt(min)=5.1 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0440 Theobromine [(M+H)]+ (13C) C613CH9N4O2 181.067575 C18rt(min)=4.79 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0439 Paraxanthine § Theophylline [(M+H)]+ (13C) C613CH9N4O2 181.067575 C18rt(min)=5.1 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0440 Theobromine [(M+H)]+ (13C) C613CH9N4O2 181.067575 C18rt(min)=4.79 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +EUR418 Tyrosine F1 C9H11NO3 181.072675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR418 Tyrosine F1 NA 181.072675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR418 Tyrosine F1 C9H11NO3 181.072675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR418 Tyrosine F1 NA 181.072675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR418 Tyrosine F1 C9H11NO3 181.072675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR418 Tyrosine F1 NA 181.072675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR418 Tyrosine F1 C9H11NO3 181.072675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR418 Tyrosine F1 C9H11NO3 181.072675 standards wishlist analysés sur QTOF HMDB NA NA +EUR418 Tyrosine F1 C9H11NO3 181.072675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR418 Tyrosine F1 NA 181.072675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR418 Tyrosine F1 C9H11NO3 181.072675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR418 Tyrosine F1 C9H11NO3 181.072675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +JH101 Tyrosine [M+H]+ C9H11NO3 181.0729 1.65 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH101 Tyrosine [M+H]+ C9H11NO3 181.0729 1.65 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH101 Tyrosine [M+H]+ C9H11NO3 181.0729 1.65 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH101 Tyrosine [M+H]+ C9H11NO3 181.0729 1.65 Inhousejuil11 NA NA +CJpos0441 L-Threo-3-Phenylserine [M+H]+ C9H12O3N 181.073375 C18rt(min)=2.1 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0442 Tyrosine [M+H]+ C9H12O3N 181.073375 C18rt(min)=1.08 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0443 Tyrosine isomer [(M+H)]+ C9H12NO3 181.073375 C18rt(min)=6.02 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0450 Tyrosine [M+H]+ (13C) C8[13]CH12O3N 181.073375 C18rt(min)=1.08 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0441 L-Threo-3-Phenylserine [M+H]+ C9H12O3N 181.073375 C18rt(min)=2.1 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0442 Tyrosine [M+H]+ C9H12O3N 181.073375 C18rt(min)=1.08 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0443 Tyrosine isomer [(M+H)]+ C9H12NO3 181.073375 C18rt(min)=6.02 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0450 Tyrosine [M+H]+ (13C) C8[13]CH12O3N 181.073375 C18rt(min)=1.08 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +7490 ACE inhibitor GTW 181.0735 MH2+ Inhouse_peptide NA peptide +HMDB00158 L-Tyrosine C9H11NO3 181.07388 http://www.hmdb.ca/metabolites/HMDB00158 PFEM_hmdb_metabocards_urine NA urine +HMDB00158 L-Tyrosine C9H11NO3 181.07388 http://www.hmdb.ca/metabolites/HMDB00158 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00158 L-Tyrosine C9H11NO3 181.07388 http://www.hmdb.ca/metabolites/HMDB00158 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00158 L-Tyrosine C9H11NO3 181.07388 http://www.hmdb.ca/metabolites/HMDB00158 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00158 L-Tyrosine C9H11NO3 181.07388 http://www.hmdb.ca/metabolites/HMDB00158 HMDB NA NA +HMDB01119 4-Hydroxy-4-(3-pyridyl)-butanoic acid C9H11NO3 181.07388 http://www.hmdb.ca/metabolites/HMDB01119 HMDB NA NA +HMDB02184 L-Threo-3-Phenylserine C9H11NO3 181.07388 http://www.hmdb.ca/metabolites/HMDB02184 HMDB NA NA +HMDB03831 beta-Tyrosine C9H11NO3 181.07388 http://www.hmdb.ca/metabolites/HMDB03831 HMDB NA NA +HMDB06050 o-Tyrosine C9H11NO3 181.07388 http://www.hmdb.ca/metabolites/HMDB06050 HMDB NA NA +HMDB00158 L-Tyrosine C9H11NO3 181.07388 http://www.hmdb.ca/metabolites/HMDB00158 PFEM_hmdb_metabocards_blood NA blood +HMDB00158 L-Tyrosine C9H11NO3 181.07388 HMDB00158 PFEM_hmdb_metabocards_official NA NA +HMDB01119 4-Hydroxy-4-(3-pyridyl)-butanoic acid C9H11NO3 181.07388 HMDB01119 PFEM_hmdb_metabocards_official NA NA +HMDB02184 L-Threo-3-Phenylserine C9H11NO3 181.07388 HMDB02184 PFEM_hmdb_metabocards_official NA NA +HMDB03831 beta-Tyrosine C9H11NO3 181.07388 HMDB03831 PFEM_hmdb_metabocards_official NA NA +HMDB06050 o-Tyrosine C9H11NO3 181.07388 HMDB06050 PFEM_hmdb_metabocards_official NA NA +MJ005070 3-Amino-3-(4-hydroxyphenyl)propanoate C9H11NO3 181.073893 NA MeJP NA NA +MJ005071 L-Tyrosine C9H11NO3 181.073893 NA MeJP NA NA +MJ005072 Tyrosine C9H11NO3 181.073893 NA MeJP NA NA +MJ005073 2-Amino-3-(2-hydroxyphenyl)propanoic acid C9H11NO3 181.073893 NA MeJP NA NA +MJ005074 2-Amino-3-(3-hydroxyphenyl)propanoic acid C9H11NO3 181.073893 NA MeJP NA NA +MJ005075 3-Amino-4-hydroxybenzoic acid; Et ester C9H11NO3 181.073893 NA MeJP NA NA +MJ005076 4-(2-Nitroethyl)phenol; Me ether C9H11NO3 181.073893 NA MeJP NA NA +MJ005077 4-Amino-2-hydroxybenzoic acid; Et ester C9H11NO3 181.073893 NA MeJP NA NA +MJ005078 5-(1-Hydroxyethyl)-3-pyridinecarboxylic acid; Me ester C9H11NO3 181.073893 NA MeJP NA NA +MJ005079 Adrenalone C9H11NO3 181.073893 NA MeJP NA NA +MJ005080 Erbstatin; 1',2'-Dihydro C9H11NO3 181.073893 NA MeJP NA NA +MJ005081 N-Hydroxyphenylalanine C9H11NO3 181.073893 NA MeJP NA NA +MJ005082 Styramate C9H11NO3 181.073893 NA MeJP NA NA +MJ005083 Tyrosine C9H11NO3 181.073893 NA MeJP NA NA +MetaCyc01560 D-tyrosine [2-amino-3-(4-hydroxyphenyl)-propanoic acid;] C9H11N1O3 181.073893 NA metacyc NA NA +MetaCyc01561 α-aminooxy-β-phenylpropionate [] C9H11N1O3 181.073893 NA metacyc NA NA +MetaCyc01562 L-threo-3-Phenylserine [] C9H11N1O3 181.073893 NA metacyc NA NA +MetaCyc01563 4-hydroxy-4-(3-pyridyl)-butanoate [4-hydroxy-4-(3-pyridyl)-butanoic acid;γ-(3-pyridyl)-γ-hydroxybutyric acid;4-(3-pyridyl)-4-hydroxybutyric acid;] C9H11N1O3 181.073893 NA metacyc NA NA +MetaCyc01564 3-amino-3-(4-hydroxyphenyl)propanoate [] C9H11N1O3 181.073893 NA metacyc NA NA +MetaCyc01565 L-tyrosine [Y;tyr;tyrosine;] C9H11N1O3 181.073893 60-18-4 metacyc NA NA +HMDB00158 L-Tyrosine C9H11NO3 181.073898 NA HMDB2010 NA NA +HMDB01119 4-Hydroxy-4-(3-pyridyl)-butanoic acid C9H11NO3 181.073898 NA HMDB2010 NA NA +HMDB02184 L-Threo-3-Phenylserine C9H11NO3 181.073898 NA HMDB2010 NA NA +HMDB03831 Beta-Tyrosine C9H11NO3 181.073898 NA HMDB2010 NA NA +HMDB06050 o-Tyrosine C9H11NO3 181.073898 NA HMDB2010 NA NA +LABER005 Tyrosine C9H11NO3 181.0739 RT 2.93 fragt 182, 136, 77, 91, 119 PFEM_hmdb_metabocards_urine NA urine +EUR033 L-Tyrosine C9H11NO3 181.0739 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR627 Tyrosine [M+H]+ 181.0739 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER005 Tyrosine C9H11NO3 181.0739 RT 2.93 fragt 182, 136, 77, 91, 119 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR033 L-Tyrosine C9H11NO3 181.0739 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR627 Tyrosine [M+H]+ 181.0739 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER005 Tyrosine C9H11NO3 181.0739 RT 2.93 fragt 182, 136, 77, 91, 119 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR033 L-Tyrosine C9H11NO3 181.0739 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR627 Tyrosine [M+H]+ 181.0739 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER005 Tyrosine C9H11NO3 181.0739 RT 2.93 fragt 182, 136, 77, 91, 119 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER005 Tyrosine C9H11NO3 181.0739 RT 2.93 fragt 182, 136, 77, 91, 119 HMDB NA NA +LABER005 Tyrosine C9H11NO3 181.0739 RT 2.93 fragt 182, 136, 77, 91, 119 Inhouse_PFEM NA NA +LABER005 Tyrosine C9H11NO3 181.0739 182.0811 Inhouse_sept12 NA NA +EUR033 L-Tyrosine C9H11NO3 181.0739 Wishlist Inhousejuil11 NA NA +EUR627 Tyrosine [M+H]+ 181.0739 identifies dans standard mixture NuGO Inhousejuil11 NA NA +LABER005 Tyrosine C9H11NO3 181.0739 RT 2.93 fragt 182, 136, 77, 91, 119 Inhousejuil11 NA NA +C00082 L-Tyrosine C9H11NO3 181.0739 NA KEGG NA NA +C01536 DL-Tyrosine C9H11NO3 181.0739 NA KEGG NA NA +C03290 L-threo-3-Phenylserine C9H11NO3 181.0739 NA KEGG NA NA +C04368 3-Amino-3-(4-hydroxyphenyl)propanoate C9H11NO3 181.0739 NA KEGG NA NA +C06420 D-Tyrosine C9H11NO3 181.0739 NA KEGG NA NA +PJ000025 Y C9H11NO3 181.0739 NA PeJP NA NA +LABER005 Tyrosine C9H11NO3 181.0739 RT 2.93 fragt 182, 136, 77, 91, 119 PFEM_hmdb_metabocards_blood NA blood +LABER005 Tyrosine C9H11NO3 181.0739 RT 2.93 fragt 182, 136, 77, 91, 119 PFEM_hmdb_metabocards_official NA NA +HMDB00158 L-Tyrosine C9H11NO3 181.0739 NA ;SYN:3-Sulphino-L-alanine; Cysteine sulfinic acid; Cysteine sulfinate; 3-sulfino- Alanine; 3-Sulfino-L-alanine; L-cysteinesulfinic acid; L-cysteine sulfinic acid; Cysteine hydrogen sulfite ester; Alanine 3-sulfinic acidH2Blood; Cerebrospinal Fluid Inhouse_peptide NA peptide +EUR558 Tyrosine [M+H]+ 181.074175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR558 Tyrosine [M+H]+ 181.074175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR558 Tyrosine [M+H]+ 181.074175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR558 Tyrosine [M+H]+ 181.074175 identifies dans serum NuGO Inhousejuil11 NA NA +CJneg0271 Tyrosine isomer [(M-H)]- C9H10NO3 181.074425 C18rt(min)=6.02 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0271 Tyrosine isomer [(M-H)]- C9H10NO3 181.074425 C18rt(min)=6.02 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +HMDB05763 Thyrotropin-releasing factor C16H22N6O4 181.085129 MH2+ Inhouse_peptide NA peptide +PFEM055F1 L-Tyrosine F1 181.0862 NA Inhouse_original NA NA +MJ005084 Acetylcholine(1+); Chloride C7H16ClNO2 181.086956 NA MeJP NA NA +C08201 Acetylcholine chloride C7H16NO2 181.087 NA KEGG NA NA +C08202 Transferred to D01000 C7H16NO2 181.087 NA KEGG NA NA +C08203 Transferred to D01001 C7H16NO2 181.087 NA KEGG NA NA +C08204 Transferred to D01002 C7H16NO2 181.087 NA KEGG NA NA +C08205 Transferred to D01003 C7H16NO2 181.087 NA KEGG NA NA +C08206 Transferred to D01004 C7H16NO2 181.087 NA KEGG NA NA +C08207 Transferred to D01005 C7H16NO2 181.087 NA KEGG NA NA +C08208 Transferred to D01006 C7H16NO2 181.087 NA KEGG NA NA +C08209 Transferred to D01007 C7H16NO2 181.087 NA KEGG NA NA +C08210 Transferred to D01008 C7H16NO2 181.087 NA KEGG NA NA +MJ005085 1-Methyl-9H-carbazole C13H11N 181.089149 NA MeJP NA NA +MJ005086 3-Methyl-9H-carbazole C13H11N 181.089149 NA MeJP NA NA +HMDB02249 6-methyltetrahydropterin C7H11N5O 181.096359 NA HMDB2010 NA NA +HMDB02249 6-methyltetrahydropterin C7H11N5O 181.09636 http://www.hmdb.ca/metabolites/HMDB02249 HMDB NA NA +HMDB02249 6-methyltetrahydropterin C7H11N5O 181.09636 HMDB02249 PFEM_hmdb_metabocards_official NA NA +C07410 Pyridostigmine C9H13N2O2 181.0977 NA KEGG NA NA +MJ005087 2-Amino-1-(3-hydroxyphenyl)ethanol, N-Et C10H15NO2 181.110278 NA MeJP NA NA +MJ005088 2-Nitro-p-mentha-1,5-diene C10H15NO2 181.110278 NA MeJP NA NA +MJ005089 3,3-Diethyl-5-methyl-2,4(1H,3H)-pyridinedione C10H15NO2 181.110278 NA MeJP NA NA +MJ005090 3,4-Dimethoxyphenethylamine C10H15NO2 181.110278 NA MeJP NA NA +MJ005091 4-Hydroxy-3-methoxyphenethylamine; N-Me C10H15NO2 181.110278 NA MeJP NA NA +MJ005092 6-Nitro-p-mentha-1(7),2-diene C10H15NO2 181.110278 NA MeJP NA NA +MJ005093 Dopamine; N,N-Di-Me C10H15NO2 181.110278 NA MeJP NA NA +MJ005094 Hexapropymate C10H15NO2 181.110278 NA MeJP NA NA +MJ005095 Oxilofrine C10H15NO2 181.110278 NA MeJP NA NA +MJ005096 Synephrine, 4-Me ether C10H15NO2 181.110278 NA MeJP NA NA +MJ005097 Synephrine, ?-Me ether C10H15NO2 181.110278 NA MeJP NA NA +MJ005098 Azepexole C9H15N3O 181.121512 NA MeJP NA NA +MJ005099 2,8-Dimethyl-3-methylene-1-oxa-8-azaspiro[4.5]decane C11H19NO 181.146664 NA MeJP NA NA +MJ005100 ?4a-Dehydroskytanthine; 7?-Hydroxy C11H19NO 181.146664 NA MeJP NA NA +MJ005101 Incarvilline; 4,5,8-Triepimer, 7-ketone C11H19NO 181.146664 NA MeJP NA NA +MJ005102 Incarvilline; 8,9-Diepimer, 7-ketone C11H19NO 181.146664 NA MeJP NA NA +MJ005103 Kopsone C11H19NO 181.146664 NA MeJP NA NA +MJ005104 Polonicumtoxin C C11H19NO 181.146664 NA MeJP NA NA +MJ005105 1-(Cyclohexylmethyl)piperidine C12H23N 181.183049 NA MeJP NA NA +MJ005106 3,5-Dodecadien-2-amine C12H23N 181.183049 NA MeJP NA NA +MJ005107 Dendrobates Alkaloid 181A C12H23N 181.183049 NA MeJP NA NA +MJ005108 Dendrobates Alkaloid 181B C12H23N 181.183049 NA MeJP NA NA +MJ005109 Dimecamine C12H23N 181.183049 NA MeJP NA NA +C14686 Dicyclohexylamine C12H23N 181.1831 NA KEGG NA NA +TEST010 Phenylalanine : (ortho/)meta-tyrosine C9H11NO3 181.19 Merck index 9494 PFEM_hmdb_metabocards_urine NA urine +TEST010 Phenylalanine : (ortho/)meta-tyrosine C9H11NO3 181.19 Merck index 9494 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +TEST010 Phenylalanine : (ortho/)meta-tyrosine C9H11NO3 181.19 Merck index 9494 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +TEST010 Phenylalanine : (ortho/)meta-tyrosine C9H11NO3 181.19 Merck index 9494 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +TEST010 Phenylalanine : (ortho/)meta-tyrosine C9H11NO3 181.19 Merck index 9494 HMDB NA NA +TEST010 Phenylalanine : (ortho/)meta-tyrosine C9H11NO3 181.19 Merck index 9494 Inhouse_PFEM NA NA +TEST010 Phenylalanine : (ortho/)meta-tyrosine C9H11NO3 181.19 Merck index 9494 PFEM_hmdb_metabocards_blood NA blood +TEST010 Phenylalanine : (ortho/)meta-tyrosine C9H11NO3 181.19 Merck index 9494 PFEM_hmdb_metabocards_official NA NA +7908 synthetic peptide AHH 181.5765 MH2+ Inhouse_peptide NA peptide +7983 synthetic peptide HAH 181.5765 MH2+ Inhouse_peptide NA peptide +MJ005110 Magnesium bromide (MgBr2) Br2Mg 181.821717 NA MeJP NA NA +MJ005111 Zinc acetate C4H6O4Zn 181.955755 NA MeJP NA NA +MJ005112 2,3-Dimercaptobutanedioic acid C4H6O4S2 181.97075 NA MeJP NA NA +C07598 Succimer C4H6O4S2 181.9708 NA KEGG NA NA +HMDB04119 Selenohomocysteine C4H8NO2Se 181.97202 http://www.hmdb.ca/metabolites/HMDB04119 HMDB NA NA +HMDB04119 Selenohomocysteine C4H8NO2Se 181.97202 HMDB04119 PFEM_hmdb_metabocards_official NA NA +MetaCyc01566 selenohomocysteine [2-amino-4-selanyl-butanoic acid;] C4H8N1O2SE1 181.972025 NA metacyc NA NA +EUR652 Selenomethionine [M+H-H2O]+ NA 181.978775 1.31 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR652 Selenomethionine [M+H-H2O]+ NA 181.978775 1.31 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR652 Selenomethionine [M+H-H2O]+ NA 181.978775 1.31 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR652 Selenomethionine [M+H-H2O]+ NA 181.978775 1.31 Inhousejuil11 NA NA +EUR356 Flavine adenine dinucleotide F6 F6 181.979375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR356 Flavine adenine dinucleotide F6 NA 181.979375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR356 Flavine adenine dinucleotide F6 F6 181.979375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR356 Flavine adenine dinucleotide F6 NA 181.979375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR356 Flavine adenine dinucleotide F6 F6 181.979375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR356 Flavine adenine dinucleotide F6 NA 181.979375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR356 Flavine adenine dinucleotide F6 F6 181.979375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR356 Flavine adénine dinucléotide F6 F6 181.979375 standards wishlist analysés sur QTOF HMDB NA NA +EUR356 Flavine adenine dinucleotide F6 F6 181.979375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR356 Flavine adenine dinucleotide F6 NA 181.979375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR356 Flavine adenine dinucleotide F6 F6 181.979375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR356 Flavine adenine dinucleotide F6 F6 181.979375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR447 Flavine Mononucleotide F5 F5 181.979875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR447 Flavine Mononucleotide F5 NA 181.979875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR447 Flavine Mononucleotide F5 F5 181.979875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR447 Flavine Mononucleotide F5 NA 181.979875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR447 Flavine Mononucleotide F5 F5 181.979875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR447 Flavine Mononucleotide F5 NA 181.979875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR447 Flavine Mononucleotide F5 F5 181.979875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR447 Flavine Mononucléotide F5 F5 181.979875 standards wishlist analysés sur QTOF HMDB NA NA +EUR447 Flavine Mononucleotide F5 F5 181.979875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR447 Flavine Mononucleotide F5 NA 181.979875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR447 Flavine Mononucleotide F5 F5 181.979875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR447 Flavine Mononucleotide F5 F5 181.979875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ005113 Chlorazodin C2H4Cl2N6 181.987449 NA MeJP NA NA +MJ005114 Methyl 3-(methylthio)-1-propenyl disulfide, 7-Oxide C5H10OS3 181.989377 NA MeJP NA NA +C17941 2-Oxo-4-phosphonobutanoate C4H7O6P 181.998 NA KEGG NA NA +MJ005115 Bis(2,2,2-trifluoroethyl) ether C4H4F6O 182.016633 NA MeJP NA NA +MetaCyc01567 1,3-dinitroglycerol [1,2,3-propanetriol 1,3-dinitrate;glycerol-1,3-dinitrate;] C3H6N2O7 182.017501 623-87-0 metacyc NA NA +MetaCyc01568 1,2-dinitroglycerol [1,2,3-propanetriol 1,2-dinitrate;glycerol-1,2-dinitrate;] C3H6N2O7 182.017501 621-65-8 metacyc NA NA +MJ005116 2-(1,3-Butadiynyl)-5-(3-buten-1-ynyl)thiophene C12H6S 182.01902 NA MeJP NA NA +C01853 Stipitatate C8H6O5 182.0215 NA KEGG NA NA +C06680 4-Hydroxyphthalate C8H6O5 182.0215 NA KEGG NA NA +C12325 3,5-Dihydroxyphenylglyoxylate C8H6O5 182.0215 NA KEGG NA NA +C14097 2-Hydroxyisophthalic acid C8H6O5 182.0215 NA KEGG NA NA +MJ005117 4-Hydroxyphthalate C8H6O5 182.021523 NA MeJP NA NA +MJ005118 2-(2,5-Dihydroxyphenyl)-2-oxoacetic acid C8H6O5 182.021523 NA MeJP NA NA +MJ005119 2-(3,4-Dihydroxyphenyl)-2-oxoacetic acid C8H6O5 182.021523 NA MeJP NA NA +MJ005120 2-Hydroxy-1,4-benzenedicarboxylic acid C8H6O5 182.021523 NA MeJP NA NA +MJ005121 3,4,5-Trihydroxy-1,2-benzenedicarboxaldehyde C8H6O5 182.021523 NA MeJP NA NA +MJ005122 5-Hydroxy-1,3-benzenedicarboxylic acid C8H6O5 182.021523 NA MeJP NA NA +MJ005123 Stipitatic acid C8H6O5 182.021523 NA MeJP NA NA +MetaCyc01569 stipitatate [] C8H6O5 182.021523 4440-39-5 metacyc NA NA +MJ005124 Ethyl 1-(ethylthio)ethyl disulfide C6H14S3 182.025762 NA MeJP NA NA +MJ005125 2-Amino-5-nitrobenzoic acid C7H6N2O4 182.032756 NA MeJP NA NA +MJ005126 4-Amino-2,3-pyridinedicarboxylic acid C7H6N2O4 182.032756 NA MeJP NA NA +MJ005127 4-Amino-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxamide; 5-Ketone C7H6N2O4 182.032756 NA MeJP NA NA +C11006 2,4-Dinitrotoluene C7H6N2O4 182.0328 NA KEGG NA NA +C11008 2,6-Dinitrotoluene C7H6N2O4 182.0328 NA KEGG NA NA +C14306 Nitrofurylacrylamide C7H6N2O4 182.0328 NA KEGG NA NA +MetaCyc01570 acenaphthenequinone [] C12H6O2 182.036779 NA metacyc NA NA +C02807 Acenaphthenequinone C12H6O2 182.0368 NA KEGG NA NA +CJpos0444 5-Methylthioribose [(M+H)]+ (34S) C6H13O4S034S 182.040875 C18rt(min)=1.09 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0444 5-Methylthioribose [(M+H)]+ (34S) C6H13O4S034S 182.040875 C18rt(min)=1.09 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0445 1-methyluric acid [(M+H)]+ C6H7N4O3 182.043475 C18rt(min)=4.07 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0445 1-methyluric acid [(M+H)]+ C6H7N4O3 182.043475 C18rt(min)=4.07 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB03099 1-Methyluric acid C6H6N4O3 182.04399 http://www.hmdb.ca/metabolites/HMDB03099 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01970 3-Methyluric acid C6H6N4O3 182.04399 http://www.hmdb.ca/metabolites/HMDB01970 HMDB NA NA +HMDB01973 9-Methyluric acid C6H6N4O3 182.04399 http://www.hmdb.ca/metabolites/HMDB01973 HMDB NA NA +HMDB03099 1-Methyluric acid C6H6N4O3 182.04399 http://www.hmdb.ca/metabolites/HMDB03099 HMDB NA NA +HMDB03099 1-Methyluric acid C6H6N4O3 182.04399 http://www.hmdb.ca/metabolites/HMDB03099 PFEM_hmdb_metabocards_blood NA blood +HMDB01970 3-Methyluric acid C6H6N4O3 182.04399 HMDB01970 PFEM_hmdb_metabocards_official NA NA +HMDB01973 9-Methyluric acid C6H6N4O3 182.04399 HMDB01973 PFEM_hmdb_metabocards_official NA NA +HMDB03099 1-Methyluric acid C6H6N4O3 182.04399 HMDB03099 PFEM_hmdb_metabocards_official NA NA +HMDB01970 3-Methyluric acid C6H6N4O3 182.043991 NA HMDB2010 NA NA +HMDB01973 9-Methyluric acid C6H6N4O3 182.043991 NA HMDB2010 NA NA +HMDB03099 1-Methyluric acid C6H6N4O3 182.043991 NA HMDB2010 NA NA +HMDB11107 7-Methyluric acid C6H6N4O3 182.043991 NA HMDB2010 NA NA +C16355 7-Methyluric acid C6H6N4O3 182.044 NA KEGG NA NA +C16359 1-Methyluric acid C6H6N4O3 182.044 NA KEGG NA NA +CJneg0272 1-methyluric acid [(M-H)]- C6H5N4O3 182.044525 C18rt(min)=4.07 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0272 1-methyluric acid [(M-H)]- C6H5N4O3 182.044525 C18rt(min)=4.07 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0273 Glutamine [M+Cl]- C5H10O3N2Cl 182.046325 C18rt(min)=0.87 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0273 Glutamine [M+Cl]- C5H10O3N2Cl 182.046325 C18rt(min)=0.87 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ005128 3-(2-Thienyl)piperazinone C8H10N2OS 182.051383 NA MeJP NA NA +CJpos0446 2,2-dimethylglutaric acid [(M+Na)]+ C7H12NaO4 182.054975 C18rt(min)=6.04 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0447 Mono-methyl-adipate [(M+Na)]+ C7H12NaO4 182.054975 C18rt(min)=6.27 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0448 Mono-methyl-adipate isomer [(M+Na)]+ C7H12NaO4 182.054975 C18rt(min)=4.38 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0446 2,2-dimethylglutaric acid [(M+Na)]+ C7H12NaO4 182.054975 C18rt(min)=6.04 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0447 Mono-methyl-adipate [(M+Na)]+ C7H12NaO4 182.054975 C18rt(min)=6.27 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0448 Mono-methyl-adipate isomer [(M+Na)]+ C7H12NaO4 182.054975 C18rt(min)=4.38 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C03672 3-(4-Hydroxyphenyl)lactate C9H10O4 182.0579 NA KEGG NA NA +C03964 (R)-3-(4-Hydroxyphenyl)lactate C9H10O4 182.0579 NA KEGG NA NA +C04044 3-(2,3-Dihydroxyphenyl)propanoate C9H10O4 182.0579 NA KEGG NA NA +C05582 Homovanillate C9H10O4 182.0579 NA KEGG NA NA +C05583 3-Methoxy-4-hydroxyphenylglycolaldehyde C9H10O4 182.0579 NA KEGG NA NA +C10447 3,4-Dihydroxyphenylpropanoate C9H10O4 182.0579 NA KEGG NA NA +C10680 2',6'-Dihydroxy-4'-methoxyacetophenone C9H10O4 182.0579 NA KEGG NA NA +C12622 cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol C9H10O4 182.0579 NA KEGG NA NA +HMDB00118 Homovanillic acid C9H10O4 182.057907 NA HMDB2010 NA NA +HMDB00333 Isohomovanillic acid C9H10O4 182.057907 NA HMDB2010 NA NA +HMDB00423 3,4-Dihydroxyhydrocinnamic acid C9H10O4 182.057907 NA HMDB2010 NA NA +HMDB00755 Hydroxyphenyllactic acid C9H10O4 182.057907 NA HMDB2010 NA NA +HMDB02643 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid C9H10O4 182.057907 NA HMDB2010 NA NA +HMDB04061 3-Methoxy-4-hydroxyphenylglycolaldehyde C9H10O4 182.057907 NA HMDB2010 NA NA +MJ005129 3-(2,3-Dihydroxyphenyl)propanoate C9H10O4 182.057908 NA MeJP NA NA +MJ005130 3-(4-Hydroxyphenyl)lactate C9H10O4 182.057908 NA MeJP NA NA +MJ005131 3-Methoxy-4-hydroxyphenylacetate C9H10O4 182.057908 NA MeJP NA NA +MJ005132 3-Methoxy-4-hydroxyphenylglycolaldehyde C9H10O4 182.057908 NA MeJP NA NA +MJ005133 Homovanillate C9H10O4 182.057908 NA MeJP NA NA +MJ005134 (2,4-Dihydroxyphenyl)acetic acid; Me ester C9H10O4 182.057908 NA MeJP NA NA +MJ005135 (2,5-Dihydroxyphenyl)acetic acid; Me ester C9H10O4 182.057908 NA MeJP NA NA +MJ005136 1,2-Ethanediol; Mono(4-hydroxybenzoyl) C9H10O4 182.057908 NA MeJP NA NA +MJ005137 1,3-Dihydro-4,5,7-trihydroxy-6-methylisobenzofuran C9H10O4 182.057908 NA MeJP NA NA +MJ005138 1-(2,4,6-Trihydroxyphenyl)-1-propanone C9H10O4 182.057908 NA MeJP NA NA +MJ005139 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid; Me ester C9H10O4 182.057908 NA MeJP NA NA +MJ005140 2',3',4'-Trihydroxyacetophenone; 4'-Me ether C9H10O4 182.057908 NA MeJP NA NA +MJ005141 2',3',6'-Trihydroxyacetophenone; 2'-Me ether C9H10O4 182.057908 NA MeJP NA NA +MJ005142 2',4',5'-Trihydroxyacetophenone; 4'-Me ether C9H10O4 182.057908 NA MeJP NA NA +MJ005143 2',4',6'-Trihydroxyacetophenone; 2'-Me ether C9H10O4 182.057908 NA MeJP NA NA +MJ005144 2',4',6'-Trihydroxyacetophenone; 4'-Me ether C9H10O4 182.057908 NA MeJP NA NA +MJ005145 2,3',4'-Trihydroxyacetophenone; 3'-Me ether C9H10O4 182.057908 NA MeJP NA NA +MJ005146 2,3,4-Trihydroxy-2,4,6-cycloheptatrien-1-one; 3,4-Di-Me ether C9H10O4 182.057908 NA MeJP NA NA +MJ005147 2,3-Dihydroxy-5,6-dimethyl-1,4-benzoquinone; Mono-Me ether C9H10O4 182.057908 NA MeJP NA NA +MJ005148 2,3-Dihydroxy-5-methyl-1,4-benzoquinone; Di-Me ether C9H10O4 182.057908 NA MeJP NA NA +MJ005149 2,4,5-Trihydroxybenzaldehyde; 2-Et ether C9H10O4 182.057908 NA MeJP NA NA +MJ005150 2,4-Dihydroxy-3,6-dimethylbenzoic acid C9H10O4 182.057908 NA MeJP NA NA +MJ005151 2,4-Dihydroxy-6-methylbenzoic acid; 2-Me ether C9H10O4 182.057908 NA MeJP NA NA +MJ005152 2,4-Dihydroxy-6-methylbenzoic acid; 4-Me ether C9H10O4 182.057908 NA MeJP NA NA +MJ005153 2,4-Dihydroxybenzoic acid; 2-Me ether, Me ester C9H10O4 182.057908 NA MeJP NA NA +MJ005154 2,4-Dihydroxybenzoic acid; 4-Me ether, Me ester C9H10O4 182.057908 NA MeJP NA NA +MJ005155 2,4-Dihydroxybenzoic acid; Et ester C9H10O4 182.057908 NA MeJP NA NA +MJ005156 2,4-Dimethoxybenzoic acid C9H10O4 182.057908 NA MeJP NA NA +MJ005157 2,5-Dihydroxybenzoic acid; 5-Me ether, Me ester C9H10O4 182.057908 NA MeJP NA NA +MJ005158 2,6-Dihydroxy-3,5-dimethyl-1,4-benzoquinone; Mono-Me ether C9H10O4 182.057908 NA MeJP NA NA +MJ005159 2,6-Dimethoxybenzoic acid C9H10O4 182.057908 NA MeJP NA NA +MJ005160 2-Ethyl-4,6-dihydroxybenzoic acid C9H10O4 182.057908 NA MeJP NA NA +MJ005161 2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid C9H10O4 182.057908 NA MeJP NA NA +MJ005162 2-Hydroxy-6-hydroxymethyl-3,5-dimethyl-1,4-benzoquinone C9H10O4 182.057908 NA MeJP NA NA +MJ005163 2-Hydroxybenzoic acid; 2-Hydroxyethyl ester C9H10O4 182.057908 NA MeJP NA NA +MJ005164 2-Hydroxybenzoic acid; Methoxymethyl ester C9H10O4 182.057908 NA MeJP NA NA +MJ005165 3,4,5-Trihydroxybenzaldehyde; 3,5-Di-Me ether C9H10O4 182.057908 NA MeJP NA NA +MJ005166 3,4-Dihydroxybenzoic acid; 3-Me ether, Me ester C9H10O4 182.057908 NA MeJP NA NA +MJ005167 3,4-Dimethoxybenzoic acid C9H10O4 182.057908 NA MeJP NA NA +MJ005168 3,5-Dimethoxybenzoic acid C9H10O4 182.057908 NA MeJP NA NA +MJ005169 3-(3,4-Dihydroxyphenyl)propanoic acid C9H10O4 182.057908 NA MeJP NA NA +MJ005170 4,6-Dihydroxy-2,3-dimethylbenzoic acid C9H10O4 182.057908 NA MeJP NA NA +MJ005171 5-Ethyl-4-methoxy-6-methyl-2H-pyran-2-one; 2'-Oxo C9H10O4 182.057908 NA MeJP NA NA +MJ005172 Carolic acid C9H10O4 182.057908 NA MeJP NA NA +MJ005173 Ethisolide C9H10O4 182.057908 NA MeJP NA NA +MJ005174 Methylenomycin A C9H10O4 182.057908 NA MeJP NA NA +MJ005175 Palasonin C9H10O4 182.057908 NA MeJP NA NA +MJ005176 Vermopyrone C9H10O4 182.057908 NA MeJP NA NA +MJ005177 Xylobovide C9H10O4 182.057908 NA MeJP NA NA +MetaCyc01571 homovanillate [homovanillic acid;vanillacetic acid;3-methoxy-4-hydroxyphenylacetate;3-methoxy-4-hydroxyphenylacetic acid;4-hydroxy-3-methoxyphenylacetic acid;4-hydroxy-3-methoxybenzenacetic acid;] C9H10O4 182.057909 NA metacyc NA NA +MetaCyc01572 R(+)-4-hydroxyphenyllactate [R(+)-4-hydroxyphenyllactic acid;] C9H10O4 182.057909 NA metacyc NA NA +MetaCyc01573 (R)-3-(4-hydroxyphenyl)lactate [] C9H10O4 182.057909 NA metacyc NA NA +MetaCyc01574 3-(4-hydroxyphenyl)lactate [4-hydroxyphenyllactate;p-hydroxyphenyllactate;] C9H10O4 182.057909 NA metacyc NA NA +MetaCyc01575 3-(2,3-dihydroxyphenyl)propionate [3-(2,3-dihydroxyphenyl)propionic acid;2,3-DHP;3-(2,3-Dihydroxyphenyl)propanoate;] C9H10O4 182.057909 NA metacyc NA NA +HMDB00118 Homovanillic acid C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB00118 PFEM_hmdb_metabocards_urine NA urine +HMDB00755 Hydroxyphenyllactic acid C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB00755 PFEM_hmdb_metabocards_urine NA urine +HMDB00118 Homovanillic acid C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB00118 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00423 3,4-Dihydroxyhydrocinnamic acid C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB00423 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00755 Hydroxyphenyllactic acid C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB00755 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00118 Homovanillic acid C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB00118 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00755 Hydroxyphenyllactic acid C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB00755 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00118 Homovanillic acid C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB00118 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00755 Hydroxyphenyllactic acid C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB00755 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00118 Homovanillic acid C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB00118 HMDB NA NA +HMDB00333 Isohomovanillic acid C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB00333 HMDB NA NA +HMDB00423 3,4-Dihydroxyhydrocinnamic acid C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB00423 HMDB NA NA +HMDB00755 Hydroxyphenyllactic acid C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB00755 HMDB NA NA +HMDB02643 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB02643 HMDB NA NA +HMDB04061 3-Methoxy-4-hydroxyphenylglycolaldehyde C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB04061 HMDB NA NA +HMDB06776 3-Methoxy-4-hydroxy-phenylglycolaldehyde C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB06776 HMDB NA NA +HMDB00118 Homovanillic acid C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB00118 PFEM_hmdb_metabocards_blood NA blood +HMDB00423 3,4-Dihydroxyhydrocinnamic acid C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB00423 PFEM_hmdb_metabocards_blood NA blood +HMDB00755 Hydroxyphenyllactic acid C9H10O4 182.05791 http://www.hmdb.ca/metabolites/HMDB00755 PFEM_hmdb_metabocards_blood NA blood +HMDB00118 Homovanillic acid C9H10O4 182.05791 HMDB00118 PFEM_hmdb_metabocards_official NA NA +HMDB00333 Isohomovanillic acid C9H10O4 182.05791 HMDB00333 PFEM_hmdb_metabocards_official NA NA +HMDB00423 3,4-Dihydroxyhydrocinnamic acid C9H10O4 182.05791 HMDB00423 PFEM_hmdb_metabocards_official NA NA +HMDB00755 Hydroxyphenyllactic acid C9H10O4 182.05791 HMDB00755 PFEM_hmdb_metabocards_official NA NA +HMDB02643 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid C9H10O4 182.05791 HMDB02643 PFEM_hmdb_metabocards_official NA NA +HMDB04061 3-Methoxy-4-hydroxyphenylglycolaldehyde C9H10O4 182.05791 HMDB04061 PFEM_hmdb_metabocards_official NA NA +HMDB06776 3-Methoxy-4-hydroxy-phenylglycolaldehyde C9H10O4 182.05791 HMDB06776 PFEM_hmdb_metabocards_official NA NA +CJneg0274 Hydroxyphenyllactic acid [(M-H)]- C9H9O4 182.058425 C18rt(min)=5.22 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0275 Isohomovanillic acid [(M-H)]- C9H9O4 182.058425 C18rt(min)=6.18 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0276 Homovanillic acid [M-H]- C9H9O4 182.058425 C18rt(min)=6.04 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0274 Hydroxyphenyllactic acid [(M-H)]- C9H9O4 182.058425 C18rt(min)=5.22 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0275 Isohomovanillic acid [(M-H)]- C9H9O4 182.058425 C18rt(min)=6.18 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0276 Homovanillic acid [M-H]- C9H9O4 182.058425 C18rt(min)=6.04 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ005178 2-Deoxy-2-fluoroglucose C6H11FO5 182.059051 NA MeJP NA NA +MJ005179 1,2,4-Triazino[5,6-c]quinoline C10H6N4 182.059246 NA MeJP NA NA +JH105 Homovanillic acid C9H10O4 182.0611 Rtobs11.27 PFEM_hmdb_metabocards_urine NA urine +JH105 Homovanillic acid [M+H]+ C9H10O4 182.0611 11.27 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH105 Homovanillic acid C9H10O4 182.0611 Rtobs11.27 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH105 Homovanillic acid [M+H]+ C9H10O4 182.0611 11.27 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH105 Homovanillic acid C9H10O4 182.0611 Rtobs11.27 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH105 Homovanillic acid [M+H]+ C9H10O4 182.0611 11.27 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH105 Homovanillic acid C9H10O4 182.0611 Rtobs11.27 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH105 Homovanillic acid C9H10O4 182.0611 Rtobs11.27 HMDB NA NA +JH105 Homovanillic acid C9H10O4 182.0611 Rtobs11.27 Inhouse_PFEM NA NA +JH105 Homovanillic acid [M+H]+ C9H10O4 182.0611 11.27 Inhousejuil11 NA NA +JH105 Homovanillic acid C9H10O4 182.0611 Rtobs11.27 PFEM_hmdb_metabocards_blood NA blood +JH105 Homovanillic acid C9H10O4 182.0611 Rtobs11.27 PFEM_hmdb_metabocards_official NA NA +MJ005180 1-Hexanol; O-Sulfate C6H14O4S 182.061279 NA MeJP NA NA +MJ005181 1,3-Dimethyl-6-oxiranyl-2,4(1H,3H)-pyrimidinedione C8H10N2O3 182.069142 NA MeJP NA NA +MJ005182 2-(4-Hydroxy-3-nitrophenyl)ethylamine C8H10N2O3 182.069142 NA MeJP NA NA +MJ005183 3-(2-Oxo-5-pyridinyl)alanine C8H10N2O3 182.069142 NA MeJP NA NA +MJ005184 ?-Amino-5-hydroxy-2-pyridinepropanoic acid C8H10N2O3 182.069142 NA MeJP NA NA +MJ005185 Choline phosphate C6H15O4P 182.070795 NA MeJP NA NA +MetaCyc01576 diisopropyl phosphate [2-(hydroxy-isopropoxy-phosphinoyl)oxypropane;] C6H15O4P1 182.070795 NA metacyc NA NA +MetaCyc01577 triethyl phosphate [phosphoric acid, triethyl ester;TEP;ethyl phosphate;triethoxyphosphine oxide;] C6H15O4P1 182.070795 78-40-0 metacyc NA NA +C03113 Diisopropyl phosphate C6H15O4P 182.0708 NA KEGG NA NA +JH148 Alanyl glutamine [M+H-NH3-H2O]+ NA 182.0717 1.12 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH148 Alanyl glutamine [M+H-NH3-H2O]+ NA 182.0717 1.12 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH148 Alanyl glutamine [M+H-NH3-H2O]+ NA 182.0717 1.12 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH148 Alanyl glutamine [M+H-NH3-H2O]+ NA 182.0717 1.12 Inhousejuil11 NA NA +MJ005186 Fluoren-9-ol C13H10O 182.073164 NA MeJP NA NA +MJ005187 1,3,11-Tridecatriene-5,7,9-triyne; 1,2-Epoxide C13H10O 182.073164 NA MeJP NA NA +MJ005188 2,10,12-Tridecatriene-4,6,8-triyn-1-ol C13H10O 182.073164 NA MeJP NA NA +MJ005189 2,3-Dihydro-2-(1-nonene-3,5,7-triynyl)furan C13H10O 182.073164 NA MeJP NA NA +MJ005190 2,5-Dihydro-2-(6,8-nonadien-2,4-diynylidene)furan C13H10O 182.073164 NA MeJP NA NA +MJ005191 2-(1,3-Butadienyl)-3-(1,3,5-heptatriynyl)oxirane C13H10O 182.073164 NA MeJP NA NA +MJ005192 2-(3-Phenyl-1-propynyl)furan C13H10O 182.073164 NA MeJP NA NA +MJ005193 2-(6,8-Nonadiene-2,4-diynyl)furan C13H10O 182.073164 NA MeJP NA NA +MJ005194 7-Phenyl-2-heptene-4,6-diyn-1-ol C13H10O 182.073164 NA MeJP NA NA +MJ005195 Atractylodin C13H10O 182.073164 NA MeJP NA NA +MJ005196 Benzophenone C13H10O 182.073164 NA MeJP NA NA +MJ005197 Ponticaepoxide C13H10O 182.073164 NA MeJP NA NA +MetaCyc01578 9-fluorenol [9H-fluoren-9-ol;9-hydroxyfluorene;fluoren-9-ol;] C13H10O1 182.073165 1689-64-1 metacyc NA NA +HMDB13163 2-Hydroxyfluorene C13H10O 182.073166 NA HMDB2010 NA NA +C01464 Xanthan C13H10O 182.0732 NA KEGG NA NA +C06354 Benzophenone C13H10O 182.0732 NA KEGG NA NA +C06711 Fluoren-9-ol C13H10O 182.0732 NA KEGG NA NA +C08399 Carlina oxide C13H10O 182.0732 NA KEGG NA NA +C14460 2-Hydroxyfluorene C13H10O 182.0732 NA KEGG NA NA +C16918 Atractylodin C13H10O 182.0732 NA KEGG NA NA +CJpos0449 L-Threo-3-Phenylserine [M+H]+ (13C) C8[13]CH12O3N 182.076675 C18rt(min)=2.1 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0451 Tyrosine isomer [(M+H)]+ (13C) C813CH12NO3 182.076675 C18rt(min)=6.02 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0449 L-Threo-3-Phenylserine [M+H]+ (13C) C8[13]CH12O3N 182.076675 C18rt(min)=2.1 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0451 Tyrosine isomer [(M+H)]+ (13C) C813CH12NO3 182.076675 C18rt(min)=6.02 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJneg0277 Tyrosine isomer [(M-H)]- (13C) C813CH10NO3 182.077825 C18rt(min)=6.02 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0277 Tyrosine isomer [(M-H)]- (13C) C813CH10NO3 182.077825 C18rt(min)=6.02 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +C00392 Mannitol C6H14O6 182.079 NA KEGG NA NA +C00393 Fibrinogen C6H14O6 182.079 NA KEGG NA NA +C00794 D-Sorbitol C6H14O6 182.079 NA KEGG NA NA +C01489 D-Iditol C6H14O6 182.079 NA KEGG NA NA +C01490 Dermatan C6H14O6 182.079 NA KEGG NA NA +C01491 Factor H C6H14O6 182.079 NA KEGG NA NA +C01492 Factor X C6H14O6 182.079 NA KEGG NA NA +C01493 Farnesol C6H14O6 182.079 NA KEGG NA NA +C01507 L-Iditol C6H14O6 182.079 NA KEGG NA NA +C01697 Galactitol C6H14O6 182.079 NA KEGG NA NA +C01698 Galactogen C6H12O6 182.079 NA KEGG NA NA +C01722 L-Glucitol C6H14O6 182.079 NA KEGG NA NA +C01723 Lactenocin C6H14O6 182.079 NA KEGG NA NA +MJ005198 Allitol C6H14O6 182.079038 NA MeJP NA NA +MJ005199 Galactitol C6H14O6 182.079038 NA MeJP NA NA +MJ005200 Glucitol C6H14O6 182.079038 NA MeJP NA NA +MJ005201 Iditol C6H14O6 182.079038 NA MeJP NA NA +MJ005202 Mannitol C6H14O6 182.079038 NA MeJP NA NA +MJ005203 Talitol C6H14O6 182.079038 NA MeJP NA NA +MJ005204 D-Iditol C6H14O6 182.079038 NA MeJP NA NA +MJ005205 D-Mannitol C6H14O6 182.079038 NA MeJP NA NA +MJ005206 D-Sorbitol C6H14O6 182.079038 NA MeJP NA NA +MJ005207 Galactitol C6H14O6 182.079038 NA MeJP NA NA +MJ005208 L-Glucitol C6H14O6 182.079038 NA MeJP NA NA +MetaCyc01579 D-sorbitol [L-gulitol;D-glucitol;meglumine;iso-sorbide;glucitol;sorbitol;] C6H14O6 182.079038 50-70-4 metacyc NA NA +MetaCyc01580 mannitol [D-mannitol;mitobronitol;] C6H14O6 182.079038 69-65-8 metacyc NA NA +MetaCyc01581 talose [iditol;] C6H14O6 182.079038 24557-79-7 metacyc NA NA +MetaCyc01582 L-iditol [] C6H14O6 182.079038 488-45-9 metacyc NA NA +MetaCyc01583 D-Iditol [] C6H14O6 182.079038 25878-23-3 metacyc NA NA +MetaCyc01584 galactitol [dulcitol;dulcite;dulcose;] C6H14O6 182.079038 608-66-2 metacyc NA NA +HMDB00107 Galactitol C6H14O6 182.07904 http://www.hmdb.ca/metabolites/HMDB00107 PFEM_hmdb_metabocards_urine NA urine +HMDB00765 Mannitol C6H14O6 182.07904 http://www.hmdb.ca/metabolites/HMDB00765 PFEM_hmdb_metabocards_urine NA urine +HMDB00107 Galactitol C6H14O6 182.07904 http://www.hmdb.ca/metabolites/HMDB00107 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00247 Sorbitol C6H14O6 182.07904 http://www.hmdb.ca/metabolites/HMDB00247 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00765 Mannitol C6H14O6 182.07904 http://www.hmdb.ca/metabolites/HMDB00765 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00107 Galactitol C6H14O6 182.07904 http://www.hmdb.ca/metabolites/HMDB00107 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00765 Mannitol C6H14O6 182.07904 http://www.hmdb.ca/metabolites/HMDB00765 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00107 Galactitol C6H14O6 182.07904 http://www.hmdb.ca/metabolites/HMDB00107 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00765 Mannitol C6H14O6 182.07904 http://www.hmdb.ca/metabolites/HMDB00765 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00107 Galactitol C6H14O6 182.07904 http://www.hmdb.ca/metabolites/HMDB00107 HMDB NA NA +HMDB00247 Sorbitol C6H14O6 182.07904 http://www.hmdb.ca/metabolites/HMDB00247 HMDB NA NA +HMDB00765 Mannitol C6H14O6 182.07904 http://www.hmdb.ca/metabolites/HMDB00765 HMDB NA NA +HMDB00107 Galactitol C6H14O6 182.07904 http://www.hmdb.ca/metabolites/HMDB00107 PFEM_hmdb_metabocards_blood NA blood +HMDB00247 Sorbitol C6H14O6 182.07904 http://www.hmdb.ca/metabolites/HMDB00247 PFEM_hmdb_metabocards_blood NA blood +HMDB00765 Mannitol C6H14O6 182.07904 http://www.hmdb.ca/metabolites/HMDB00765 PFEM_hmdb_metabocards_blood NA blood +HMDB00107 Galactitol C6H14O6 182.07904 HMDB00107 PFEM_hmdb_metabocards_official NA NA +HMDB00247 Sorbitol C6H14O6 182.07904 HMDB00247 PFEM_hmdb_metabocards_official NA NA +HMDB00765 Mannitol C6H14O6 182.07904 HMDB00765 PFEM_hmdb_metabocards_official NA NA +HMDB00107 Galactitol C6H14O6 182.079041 NA HMDB2010 NA NA +HMDB00247 Sorbitol C6H14O6 182.079041 NA HMDB2010 NA NA +HMDB00765 Mannitol C6H14O6 182.079041 NA HMDB2010 NA NA +HMDB11632 L-Iditol C6H14O6 182.079041 NA HMDB2010 NA NA +CJneg0278 Mannitol (and isomers) [(M-H)]- C6H13O6 182.079625 C18rt(min)=0.85 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0278 Mannitol (and isomers) [(M-H)]- C6H13O6 182.079625 C18rt(min)=0.85 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ005209 Lathyrine C7H10N4O2 182.080375 NA MeJP NA NA +C08290 L-Lathyrine C7H10N4O2 182.0804 NA KEGG NA NA +MJ005210 Carbamoylcholine(1+); Chloride C6H15ClN2O2 182.082205 NA MeJP NA NA +MJ005211 1-Methyl-?-carboline C12H10N2 182.084398 NA MeJP NA NA +MJ005212 ?-Carboline; N2-Me C12H11N2(+) 182.084398 NA MeJP NA NA +C09209 Harman C12H10N2 182.0844 NA KEGG NA NA +MJ005213 3-(2-Azetidinylmethoxy)-2-fluoropyridine C9H11FN2O 182.085541 NA MeJP NA NA +MJ005214 Eflornithine C6H12F2N2O2 182.086684 NA MeJP NA NA +C07997 Eflornithine C6H12F2N2O2 182.0867 NA KEGG NA NA +C07998 Transferred to D00829 C6H12F2N2O2 182.0867 NA KEGG NA NA +C07494 Soman C7H16FO2P 182.0872 NA KEGG NA NA +MJ005215 Dacarbazine C6H10N6O 182.091608 NA MeJP NA NA +MJ005216 Iridotrial C10H14O3 182.094294 NA MeJP NA NA +MJ005217 1-(2,4-Dihydroxyphenyl)-2-propanol, 4'-Me ether C10H14O3 182.094294 NA MeJP NA NA +MJ005218 1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-Me ether C10H14O3 182.094294 NA MeJP NA NA +MJ005219 1-(4-Hydroxyphenyl)-1,2-propanediol, 1-Me ether C10H14O3 182.094294 NA MeJP NA NA +MJ005220 1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-Me ether C10H14O3 182.094294 NA MeJP NA NA +MJ005221 1-Hydroxy-p-menth-4(8)-en-9,3-olide C10H14O3 182.094294 NA MeJP NA NA +MJ005222 2,2,4,4-Tetramethyl-1,3,5-cyclohexanetrione C10H14O3 182.094294 NA MeJP NA NA +MJ005223 2-Methyl-1,3,5-benzenetriol; Tri-Me ether C10H14O3 182.094294 NA MeJP NA NA +MJ005224 3-(2-Methylphenoxy)-1,2-propanediol C10H14O3 182.094294 NA MeJP NA NA +MJ005225 3-(3,4-Dihydroxyphenyl)-1-propanol; 3'-Me ether C10H14O3 182.094294 NA MeJP NA NA +MJ005226 3-Ethyl-4-hydroxy-6-isopropyl-2H-pyran-2-one C10H14O3 182.094294 NA MeJP NA NA +MJ005227 4,5-Epoxy-3-hydroxy-2-caranone C10H14O3 182.094294 NA MeJP NA NA +MJ005228 4,6-Decadiyne-1,3,8-triol C10H14O3 182.094294 NA MeJP NA NA +MJ005229 4-(3,4-Dihydroxyphenyl)-2-butanol C10H14O3 182.094294 NA MeJP NA NA +MJ005230 4-Hydroxy-6-(3-methylbutyl)-2H-pyran-2-one C10H14O3 182.094294 NA MeJP NA NA +MJ005231 4-Hydroxy-6-isopropyl-3,5-dimethyl-2H-pyran-2-one C10H14O3 182.094294 NA MeJP NA NA +MJ005232 5,6-Dihydro-6-(4-oxo-2-pentenyl)-2H-pyran-2-one, 7,8-Dihydro C10H14O3 182.094294 NA MeJP NA NA +MJ005233 5-Ethyl-4,6-dimethyl-1,2,3-benzenetriol C10H14O3 182.094294 NA MeJP NA NA +MJ005234 5-Hydroxy-4-(4-methyl-3-pentenyl)-2(5H)-furanone C10H14O3 182.094294 NA MeJP NA NA +MJ005235 6-Propyl-1,2,4-benzenetriol; 2-Me ether C10H14O3 182.094294 NA MeJP NA NA +MJ005236 9-Oxo-2,7-decadienoic acid C10H14O3 182.094294 NA MeJP NA NA +MJ005237 Asarinol C C10H14O3 182.094294 NA MeJP NA NA +MJ005238 Boschnaloside; Aglucone C10H14O3 182.094294 NA MeJP NA NA +MJ005239 Chenopanone C10H14O3 182.094294 NA MeJP NA NA +MJ005240 Dihydro-5-(1-hydroxy-2,4-hexadienyl)-2(3H)-furanone C10H14O3 182.094294 NA MeJP NA NA +MJ005241 Diplodialide B; 4-Ketone C10H14O3 182.094294 NA MeJP NA NA +MJ005242 Paeoniisothujone C10H14O3 182.094294 NA MeJP NA NA +MJ005243 Paeonisuffrone; 8-Deoxy C10H14O3 182.094294 NA MeJP NA NA +MJ005244 Peperinic acid C10H14O3 182.094294 NA MeJP NA NA +MJ005245 Phomapyrone C C10H14O3 182.094294 NA MeJP NA NA +MJ005246 Ramulosin C10H14O3 182.094294 NA MeJP NA NA +MJ005247 [2-(5-Oxo-1-cyclopenten-1-yl)methyl]butanoic acid C10H14O3 182.094294 NA MeJP NA NA +MJ005248 p-Mentha-1,3,5-triene-2,3,6-triol C10H14O3 182.094294 NA MeJP NA NA +MJ005249 p-Mentha-1,3,5-triene-2,3,7-triol C10H14O3 182.094294 NA MeJP NA NA +MJ005250 p-Mentha-1,3,5-triene-3,8,9-triol C10H14O3 182.094294 NA MeJP NA NA +MJ005251 p-Mentha-1,3,5-triene-3,9,10-triol C10H14O3 182.094294 NA MeJP NA NA +MetaCyc01585 dihydroconiferyl alcohol [] C10H14O3 182.094294 NA metacyc NA NA +MetaCyc01586 2-oxo-Δ3-4,5,5-trimethylcyclopentenylacetate [2-oxo-δ3-4,5,5-trimethylcyclopentenylacetate;] C10H14O3 182.094294 NA metacyc NA NA +MetaCyc01587 5-oxo-1,2-campholide [] C10H14O3 182.094294 NA metacyc NA NA +MetaCyc01588 1-hydroxy-4-oxahomoadamantan-5-one [4-oxatricyclo-[4.3.13,8]undecan-1-ol-5-one;] C10H14O3 182.094294 NA metacyc NA NA +C02952 5-Oxo-1,2-campholide C10H14O3 182.0943 NA KEGG NA NA +C06070 Iridotrial C10H14O3 182.0943 NA KEGG NA NA +C07159 2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate C10H14O3 182.0943 NA KEGG NA NA +C10448 Dihydroconiferyl alcohol C10H14O3 182.0943 NA KEGG NA NA +C17822 3,4,5-Trimethoxytoluene C10H14O3 182.0943 NA KEGG NA NA +C17823 2,4,5-Trimethoxytoluene C10H14O3 182.0943 NA KEGG NA NA +C17825 (+/-)-Asarinol B C10H14O3 182.0943 NA KEGG NA NA +MJ005252 3-Methylene-6-(1-methylpropyl)-2,5-piperazinedione C9H14N2O2 182.105527 NA MeJP NA NA +MJ005253 3-Methylene-6-(2-methylpropyl)-2,5-piperazinedione C9H14N2O2 182.105527 NA MeJP NA NA +MJ005254 Alaptide C9H14N2O2 182.105527 NA MeJP NA NA +MJ005255 Loline; N-De-Me, N-Ac C9H14N2O2 182.105527 NA MeJP NA NA +MJ005256 Lolineyl C9H14N2O2 182.105527 NA MeJP NA NA +MJ005257 Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin]-2'-one C9H14N2O2 182.105527 NA MeJP NA NA +C14685 1,2-Dihydrostilbene C14H14 182.1096 NA KEGG NA NA +MJ005258 2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene; Dihydro C11H18O2 182.130679 NA MeJP NA NA +MJ005259 2,4-Decadienoic acid, Me ester C11H18O2 182.130679 NA MeJP NA NA +MJ005260 2,6-Dimethyl-1,5-heptadien-3-ol, Ac C11H18O2 182.130679 NA MeJP NA NA +MJ005261 2-(1-Propenyl)-4,6-octadiene-1,2-diol C11H18O2 182.130679 NA MeJP NA NA +MJ005262 3,4-Dimethyl-5-pentyl-2(5H)-furanone C11H18O2 182.130679 NA MeJP NA NA +MJ005263 3,7-Dimethyl-2,6-octadien-1-ol, Formyl C11H18O2 182.130679 NA MeJP NA NA +MJ005264 3-Ethyl-1,8-dimethyl-2,9-dioxabicyclo[3.3.1]non-7-ene C11H18O2 182.130679 NA MeJP NA NA +MJ005265 3-Hexyl-5-methyl-2(5H)-furanone C11H18O2 182.130679 NA MeJP NA NA +MJ005266 3-Isopropyl-6-methyl-4,6-heptadien-1-ol, Carboxylic acid C11H18O2 182.130679 NA MeJP NA NA +MJ005267 3-Myodeserten-1-ol, Me ether C11H18O2 182.130679 NA MeJP NA NA +MJ005268 4,8-Decadienoic acid; Me ester C11H18O2 182.130679 NA MeJP NA NA +MJ005269 4-Hexyl-1,3-cyclopentanedione C11H18O2 182.130679 NA MeJP NA NA +MJ005270 5-Methyl-3-(4-methylpentyl)-2(5H)-furanone C11H18O2 182.130679 NA MeJP NA NA +MJ005271 9-Decynoic acid; Me ester C11H18O2 182.130679 NA MeJP NA NA +MJ005272 Nordavanone C11H18O2 182.130679 NA MeJP NA NA +MJ005273 Santolinic acid; Me ester C11H18O2 182.130679 NA MeJP NA NA +MJ005274 Tetrahydroactinidiolide C11H18O2 182.130679 NA MeJP NA NA +C12294 Geranyl formate C11H18O2 182.1307 NA KEGG NA NA +C14113 Decahydro-2-naphthoic acid C11H18O2 182.1307 NA KEGG NA NA +MJ005275 Guanacline C9H18N4 182.153146 NA MeJP NA NA +MJ005276 1-Dodecen-3-one C12H22O 182.167065 NA MeJP NA NA +MJ005277 10-Undecyn-2-ol; Me ether C12H22O 182.167065 NA MeJP NA NA +MJ005278 2-Butyl-2-octenal C12H22O 182.167065 NA MeJP NA NA +MJ005279 2-Dodecenal C12H22O 182.167065 NA MeJP NA NA +MJ005280 2-Ethyl-6-isopropyl-3-methyl-1-cyclohexanone C12H22O 182.167065 NA MeJP NA NA +MJ005281 2-Ethyl-6-isopropyl-3-methylcyclohexanone C12H22O 182.167065 NA MeJP NA NA +MJ005282 3,5-Dodecadien-1-ol C12H22O 182.167065 NA MeJP NA NA +MJ005283 3,6-Dodecadien-1-ol C12H22O 182.167065 NA MeJP NA NA +MJ005284 4,6-Dimethyl-4-decen-3-one C12H22O 182.167065 NA MeJP NA NA +MJ005285 5,7-Dodecadien-1-ol C12H22O 182.167065 NA MeJP NA NA +MJ005286 7,9-Dodecadien-1-ol C12H22O 182.167065 NA MeJP NA NA +MJ005287 7-Dodecenal C12H22O 182.167065 NA MeJP NA NA +MJ005288 8,10-Dodecadien-1-ol C12H22O 182.167065 NA MeJP NA NA +MJ005289 9-Dodecenal C12H22O 182.167065 NA MeJP NA NA +MJ005290 Cyclododecanone C12H22O 182.167065 NA MeJP NA NA +MJ005291 Geosmin C12H22O 182.167065 NA MeJP NA NA +C16286 Geosmin C12H22O 182.1671 NA KEGG NA NA +MJ005292 1-Tridecene C13H26 182.20345 NA MeJP NA NA +MJ005293 6-Tridecene C13H26 182.20345 NA MeJP NA NA +7559 ACE inhibitor from buckwheat PSY 182.5735 MH2+ Inhouse_peptide NA peptide +3558 ACE inhibitor LAY 182.592 MH2+ Inhouse_peptide NA peptide +8027 synthetic peptide PHI 182.597 MH2+ Inhouse_peptide NA peptide +8029 synthetic peptide PHL 182.597 MH2+ Inhouse_peptide NA peptide +MJ005294 2-Bromo-2-nitro-1-propanol C3H6BrNO3 182.953105 NA MeJP NA NA +MJ005295 Benzoselenazole C7H5NSe 182.95872 NA MeJP NA NA +CJneg0279 Taurine (and isomer) [(M-H)+(NaCl)]- C2H6O3NClNaS 182.973825 C18rt(min)=0.88 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0279 Taurine (and isomer) [(M-H)+(NaCl)]- C2H6O3NClNaS 182.973825 C18rt(min)=0.88 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +HMDB04113 Se-Methylselenocysteine C4H9NO2Se 182.97984 http://www.hmdb.ca/metabolites/HMDB04113 HMDB NA NA +HMDB04113 Se-Methylselenocysteine C4H9NO2Se 182.97984 HMDB04113 PFEM_hmdb_metabocards_official NA NA +HMDB04113 Se-Methylselenocysteine C4H9NO2Se 182.979843 NA HMDB2010 NA NA +HMDB04119 Selenohomocysteine C4H9NO2Se 182.979843 NA HMDB2010 NA NA +MJ005296 Selenocysteine; Se-Me C4H9NO2Se 182.97985 NA MeJP NA NA +MJ005297 Se-Methylselenocysteine C4H9NO2Se 182.97985 NA MeJP NA NA +MJ005298 Selenohomocysteine C4H9NO2Se 182.97985 NA MeJP NA NA +C05689 Se-Methyl-L-selenocysteine C4H9NO2Se 182.9799 NA KEGG NA NA +C05698 Selenohomocysteine C4H9NO2Se 182.9799 NA KEGG NA NA +MJ005299 Saccharin C7H5NO3S 182.999013 NA MeJP NA NA +MetaCyc01589 saccharin [] C7H5N1O3S1 182.999014 NA metacyc NA NA +C14426 Acephate C4H10NO3PS 183.0119 NA KEGG NA NA +MetaCyc01590 5-hydroxyisourate [] C5H3N4O4 183.01543 NA metacyc NA NA +MJ005300 Enaminomycin A C7H5NO5 183.016772 NA MeJP NA NA +C16511 L-Homocysteic acid C4H9NO5S 183.0201 NA KEGG NA NA +HMDB02205 L-Homocysteic acid C4H9NO5S 183.02014 http://www.hmdb.ca/metabolites/HMDB02205 HMDB NA NA +HMDB02205 L-Homocysteic acid C4H9NO5S 183.02014 HMDB02205 PFEM_hmdb_metabocards_official NA NA +HMDB02205 L-Homocysteic acid C4H9NO5S 183.020142 NA HMDB2010 NA NA +MJ005301 2-Amino-4-sulfobutanoic acid C4H9NO5S 183.020143 NA MeJP NA NA +MetaCyc01591 L-Methionine sulfone [(S)-Amino-4-(methylsulphonyl)butyric acid;] C4H9N1O5S1 183.020143 NA metacyc NA NA +C14713 2,4-Dinitroaniline C6H5N3O4 183.028 NA KEGG NA NA +MJ005302 2-Amino-4-phosphonobutanoic acid C4H10NO5P 183.029658 NA MeJP NA NA +MJ005303 Fosmidomycin C4H10NO5P 183.029658 NA MeJP NA NA +MetaCyc01592 fosmidomycin [] C4H10N1O5P1 183.029659 NA metacyc NA NA +MJ005304 Oxisuran C8H9NO2S 183.035399 NA MeJP NA NA +C17239 p-Hydroxyphenylacetothiohydroximate C8H9NO2S 183.0354 NA KEGG NA NA +CJpos0452 1-methyluric acid [(M+H)]+ (13C) C513CH7N4O3 183.046775 C18rt(min)=4.07 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0452 1-methyluric acid [(M+H)]+ (13C) C513CH7N4O3 183.046775 C18rt(min)=4.07 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJneg0280 1-methyluric acid [(M-H)]- (13C) C513CH5N4O3 183.047925 C18rt(min)=4.07 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0280 1-methyluric acid [(M-H)]- (13C) C513CH5N4O3 183.047925 C18rt(min)=4.07 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +EUR327 4-pyridoxique acid F1 NA 183.052275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR327 Acide 4-pyridoxique F1 NA 183.052275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR327 4-pyridoxique acid F1 NA 183.052275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR327 Acide 4-pyridoxique F1 NA 183.052275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR327 4-pyridoxique acid F1 NA 183.052275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR327 Acide 4-pyridoxique F1 NA 183.052275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR327 4-pyridoxique acid F1 NA 183.052275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR327 4-pyridoxique acid F1 NA 183.052275 standards wishlist analysés sur QTOF HMDB NA NA +EUR327 4-pyridoxique acid F1 NA 183.052275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR327 Acide 4-pyridoxique F1 NA 183.052275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR327 4-pyridoxique acid F1 NA 183.052275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR327 4-pyridoxique acid F1 NA 183.052275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0453 4-Pyridoxic acid isomer [(M+H)]+ C8H10NO4 183.052575 C18rt(min)=5.6 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0454 4-Pyridoxic acid isomer [(M+H)]+ C8H10NO4 183.052575 C18rt(min)=4.8 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0453 4-Pyridoxic acid isomer [(M+H)]+ C8H10NO4 183.052575 C18rt(min)=5.6 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0454 4-Pyridoxic acid isomer [(M+H)]+ C8H10NO4 183.052575 C18rt(min)=4.8 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ005305 1-(4-Hydroxy-3-nitrophenyl)ethanol C8H9NO4 183.053157 NA MeJP NA NA +MJ005306 2-(2-Furoyl)alanine C8H9NO4 183.053157 NA MeJP NA NA +MJ005307 2-(4-Hydroxy-3-nitrophenyl)ethanol C8H9NO4 183.053157 NA MeJP NA NA +MJ005308 2-Amino-2-(3,5-dihydroxyphenyl)acetic acid C8H9NO4 183.053157 NA MeJP NA NA +MJ005309 3-Amino-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one, N-Ac C8H9NO4 183.053157 NA MeJP NA NA +MJ005310 4-(2-Nitroethyl)-1,2-benzenediol C8H9NO4 183.053157 NA MeJP NA NA +MJ005311 Isohematinic acid C8H9NO4 183.053157 NA MeJP NA NA +MJ005312 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate C8H9NO4 183.053157 NA MeJP NA NA +MJ005313 3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate C8H9NO4 183.053157 NA MeJP NA NA +MJ005314 4-Pyridoxate C8H9NO4 183.053157 NA MeJP NA NA +MetaCyc01593 4-pyridoxate [4-Pyridoxic acid;] C8H9N1O4 183.053158 82-82-6 metacyc NA NA +MetaCyc01594 3-hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate [5-pyridoxate;] C8H9N1O4 183.053158 NA metacyc NA NA +MetaCyc01595 3-carboxy-4-methoxy-N-methyl-2-pyridone [] C8H9N1O4 183.053158 NA metacyc NA NA +EUR069 4-Pyridoxic acid C8H9NO4 183.053159 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR069 4-Pyridoxic acid C8H9NO4 183.053159 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR069 4-Pyridoxic acid C8H9NO4 183.053159 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR069 4-Pyridoxic acid C8H9NO4 183.053159 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR069 4-Pyridoxic acid C8H9NO4 183.053159 Wishlist HMDB NA NA +EUR069 4-Pyridoxic acid C8H9NO4 183.053159 Wishlist Inhouse_PFEM NA NA +EUR069 4-Pyridoxic acid C8H9NO4 183.053159 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR069 4-Pyridoxic acid C8H9NO4 183.053159 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00017 4-Pyridoxic acid C8H9NO4 183.05316 http://www.hmdb.ca/metabolites/HMDB00017 PFEM_hmdb_metabocards_urine NA urine +HMDB00017 4-Pyridoxic acid C8H9NO4 183.05316 http://www.hmdb.ca/metabolites/HMDB00017 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00017 4-Pyridoxic acid C8H9NO4 183.05316 http://www.hmdb.ca/metabolites/HMDB00017 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00017 4-Pyridoxic acid C8H9NO4 183.05316 http://www.hmdb.ca/metabolites/HMDB00017 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00017 4-Pyridoxic acid C8H9NO4 183.05316 http://www.hmdb.ca/metabolites/HMDB00017 HMDB NA NA +HMDB00017 4-Pyridoxic acid C8H9NO4 183.05316 http://www.hmdb.ca/metabolites/HMDB00017 PFEM_hmdb_metabocards_blood NA blood +HMDB00017 4-Pyridoxic acid C8H9NO4 183.05316 HMDB00017 PFEM_hmdb_metabocards_official NA NA +HMDB00017 4-Pyridoxic acid C8H9NO4 183.053162 NA HMDB2010 NA NA +EUR069 4-Pyridoxic acid C8H9NO4 183.0532 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR069 4-Pyridoxic acid C8H9NO4 183.0532 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR069 4-Pyridoxic acid C8H9NO4 183.0532 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR069 4-Pyridoxic acid C8H9NO4 183.0532 Wishlist Inhousejuil11 NA NA +C00847 4-Pyridoxate C8H9NO4 183.0532 NA KEGG NA NA +C04447 3-Carboxy-4-methoxy-N-methyl-2-pyridone C8H9NO4 183.0532 NA KEGG NA NA +C04448 3-Hydroxymethyl ceph-3-em-4-carboxylate C9H8N2O5SR2 183.0532 NA KEGG NA NA +C04773 3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate C8H9NO4 183.0532 NA KEGG NA NA +C04775 D-Galactosyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosyl-R C18H31O16R 183.0532 NA KEGG NA NA +C04776 Peptide C18H29N3O13R2 183.0532 NA KEGG NA NA +C04777 High-mannose glycopeptide containing -{Man(GlcNAc)2}Asn- C18H29N3O13R2 183.0532 NA KEGG NA NA +C11466 5-Methoxy-3-hydroxyanthranilate C8H9NO4 183.0532 NA KEGG NA NA +C12026 3,5-Dihydroxy-phenylglycine C8H9NO4 183.0532 NA KEGG NA NA +CJneg0281 4-Pyridoxic acid isomer [(M-H)]- C8H8NO4 183.053725 C18rt(min)=5.6 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0281 4-Pyridoxic acid isomer [(M-H)]- C8H8NO4 183.053725 C18rt(min)=5.6 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +JH146 Alanyl glutamine [M+H-2NH3]+ NA 183.0545 1.12 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH146 Alanyl glutamine [M+H-2NH3]+ NA 183.0545 1.12 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH146 Alanyl glutamine [M+H-2NH3]+ NA 183.0545 1.12 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH146 Alanyl glutamine [M+H-2NH3]+ NA 183.0545 1.12 Inhousejuil11 NA NA +C00919 Choline sulfate C5H13NO4S 183.0565 NA KEGG NA NA +MJ005315 Choline; Sulfate (inner salt) C5H13NO4S 183.056528 NA MeJP NA NA +MetaCyc01596 choline sulfate [] C5H13N1O4S1 183.056529 NA metacyc NA NA +CJneg0282 Hydroxyphenyllactic acid [(M-H)]- (13C) C813CH9O4 183.061825 C18rt(min)=5.22 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0282 Hydroxyphenyllactic acid [(M-H)]- (13C) C813CH9O4 183.061825 C18rt(min)=5.22 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C16403 4-Amino-2-hydroxylamino-6-nitrotoluene C7H9N3O3 183.0644 NA KEGG NA NA +C11217 p-Fluorophenylalanine C9H10FNO2 183.0696 NA KEGG NA NA +MJ005316 6-[(2-Methylpropyl)thio]-2-pyridinol C9H13NOS 183.071784 NA MeJP NA NA +C04744 2,6-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine C6H9N5O2 183.0756 NA KEGG NA NA +HMDB11657 2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine C6H9N5O2 183.075623 NA HMDB2010 NA NA +8031 synthetic peptide PHN 183.07645 MH2+ Inhouse_peptide NA peptide +MJ005317 1-(2-Chlorophenyl)-2-methyl-2-propylamine C10H14ClN 183.081477 NA MeJP NA NA +MJ005318 Chlorphentermine C10H14ClN 183.081477 NA MeJP NA NA +C07559 Chlorphentermine C10H14ClN 183.0815 NA KEGG NA NA +EUR238 Carnitine F3 F3 183.087075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR238 Carnitine F3 NA 183.087075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR238 Carnitine F3 F3 183.087075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR238 Carnitine F3 NA 183.087075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR238 Carnitine F3 F3 183.087075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR238 Carnitine F3 NA 183.087075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR238 Carnitine F3 F3 183.087075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR238 Carnitine F3 F3 183.087075 standards wishlist analysés sur QTOF HMDB NA NA +EUR238 Carnitine F3 F3 183.087075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR238 Carnitine F3 NA 183.087075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR238 Carnitine F3 F3 183.087075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR238 Carnitine F3 F3 183.087075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +3781 dipeptidyl carboxypeptidase inhibitor PPPG 183.0885 MH2+ Inhouse_peptide NA peptide +3782 dipeptidyl carboxypeptidase inhibitor PPGP 183.0885 MH2+ Inhouse_peptide NA peptide +CJpos0455 Pantothenic acid [(M+H)-2(H2O)]+ C9H14O3N 183.088975 C18rt(min)=4.77 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0456 Tetrahydrohippuric acid [(M+H)]+ C9H14NO3 183.088975 C18rt(min)=6.33 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0455 Pantothenic acid [(M+H)-2(H2O)]+ C9H14O3N 183.088975 C18rt(min)=4.77 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0456 Tetrahydrohippuric acid [(M+H)]+ C9H14NO3 183.088975 C18rt(min)=6.33 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +7646 ACE inhibitor from pea vicilin GYK 183.089 MH2+ Inhouse_peptide NA peptide +C00788 L-Adrenaline C9H13NO3 183.0895 NA KEGG NA NA +C05589 L-Normetanephrine C9H13NO3 183.0895 NA KEGG NA NA +C11768 Levonordefrin C9H13NO3 183.0895 NA KEGG NA NA +C17925 Nordephrine C9H13NO3 183.0895 NA KEGG NA NA +HMDB00068 Epinephrine C9H13NO3 183.089539 NA HMDB2010 NA NA +HMDB00819 Normetanephrine C9H13NO3 183.089539 NA HMDB2010 NA NA +HMDB02832 Methylnoradrenaline C9H13NO3 183.089539 NA HMDB2010 NA NA +HMDB00068 Epinephrine C9H13NO3 183.08954 http://www.hmdb.ca/metabolites/HMDB00068 PFEM_hmdb_metabocards_urine NA urine +HMDB00819 Normetanephrine C9H13NO3 183.08954 http://www.hmdb.ca/metabolites/HMDB00819 PFEM_hmdb_metabocards_urine NA urine +HMDB00068 Epinephrine C9H13NO3 183.08954 http://www.hmdb.ca/metabolites/HMDB00068 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00819 Normetanephrine C9H13NO3 183.08954 http://www.hmdb.ca/metabolites/HMDB00819 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00068 Epinephrine C9H13NO3 183.08954 http://www.hmdb.ca/metabolites/HMDB00068 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00819 Normetanephrine C9H13NO3 183.08954 http://www.hmdb.ca/metabolites/HMDB00819 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00068 Epinephrine C9H13NO3 183.08954 http://www.hmdb.ca/metabolites/HMDB00068 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00819 Normetanephrine C9H13NO3 183.08954 http://www.hmdb.ca/metabolites/HMDB00819 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00068 Epinephrine C9H13NO3 183.08954 http://www.hmdb.ca/metabolites/HMDB00068 HMDB NA NA +HMDB00819 Normetanephrine C9H13NO3 183.08954 http://www.hmdb.ca/metabolites/HMDB00819 HMDB NA NA +HMDB02832 Methylnoradrenaline C9H13NO3 183.08954 http://www.hmdb.ca/metabolites/HMDB02832 HMDB NA NA +HMDB00068 Epinephrine C9H13NO3 183.08954 http://www.hmdb.ca/metabolites/HMDB00068 PFEM_hmdb_metabocards_blood NA blood +HMDB00819 Normetanephrine C9H13NO3 183.08954 http://www.hmdb.ca/metabolites/HMDB00819 PFEM_hmdb_metabocards_blood NA blood +HMDB00068 Epinephrine C9H13NO3 183.08954 HMDB00068 PFEM_hmdb_metabocards_official NA NA +HMDB00819 Normetanephrine C9H13NO3 183.08954 HMDB00819 PFEM_hmdb_metabocards_official NA NA +HMDB02832 Methylnoradrenaline C9H13NO3 183.08954 HMDB02832 PFEM_hmdb_metabocards_official NA NA +MJ005319 2-Amino-1-(3,4-dihydroxyphenyl)-1-propanol C9H13NO3 183.089543 NA MeJP NA NA +MJ005320 3,4,5-Trihydroxyphenethylamine; 3'-Me ether C9H13NO3 183.089543 NA MeJP NA NA +MJ005321 3,4,5-Trihydroxyphenethylamine; N-Me C9H13NO3 183.089543 NA MeJP NA NA +MJ005322 Adrenaline C9H13NO3 183.089543 NA MeJP NA NA +MJ005323 Nortenuazonic acid C9H13NO3 183.089543 NA MeJP NA NA +MJ005324 Pancratium sickenbergi Alkaloid C9H13NO3 183.089543 NA MeJP NA NA +MJ005325 Pyridoxine; O1''-Me C9H13NO3 183.089543 NA MeJP NA NA +MJ005326 4-[(1R)-1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol C9H13NO3 183.089543 NA MeJP NA NA +MJ005327 L-Normetanephrine C9H13NO3 183.089543 NA MeJP NA NA +MetaCyc01597 adrenaline [epinephrine;L-epinephrine;] C9H13N1O3 183.089543 NA metacyc NA NA +JH151 Pantothenic acid [M+H-2H2O]+ NA 183.09 6.63 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH151 Pantothenic acid [M+H-2H2O]+ NA 183.09 6.63 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH151 Pantothenic acid [M+H-2H2O]+ NA 183.09 6.63 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH151 Pantothenic acid [M+H-2H2O]+ NA 183.09 6.63 Inhousejuil11 NA NA +CJneg0283 Tetrahydrohippuric acid [(M-H)]- C9H12NO3 183.090125 C18rt(min)=6.33 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0283 Tetrahydrohippuric acid [(M-H)]- C9H12NO3 183.090125 C18rt(min)=6.33 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +EUR344 Pantothenic acid F4 F4 183.090475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR344 Acide pantothenique F4 NA 183.090475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR344 Pantothenic acid F4 F4 183.090475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR344 Acide pantothenique F4 NA 183.090475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR344 Pantothenic acid F4 F4 183.090475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR344 Acide pantothenique F4 NA 183.090475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR344 Pantothenic acid F4 F4 183.090475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR344 Pantothenic acid F4 F4 183.090475 standards wishlist analysés sur QTOF HMDB NA NA +EUR344 Pantothenic acid F4 F4 183.090475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR344 Acide pantothenique F4 NA 183.090475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR344 Pantothenic acid F4 F4 183.090475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR344 Pantothenic acid F4 F4 183.090475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ005328 Histidinol, N-Ac C8H13N3O2 183.100776 NA MeJP NA NA +MetaCyc01598 nα-nα-dimethyl-L-histidine [] C8H13N3O2 183.100777 NA metacyc NA NA +C04259 Nalpha,Nalpha-Dimethyl-L-histidine C8H13N3O2 183.1008 NA KEGG NA NA +C04260 O-D-Alanyl-poly(ribitol phosphate) C8H13N3O2 183.1008 NA KEGG NA NA +C04261 Protein N(pi)-phospho-L-histidine C7H9N4O5PR2 183.1008 NA KEGG NA NA +C04262 Protein N(tau)-phospho-L-histidine C7H9N4O5PR2 183.1008 NA KEGG NA NA +MJ005329 6-(3-Methyl-1,3-butadienyl)-1H-indole C13H13N 183.104799 NA MeJP NA NA +C12452 Acetyltropine C10H17NO2 183.1259 NA KEGG NA NA +C12453 Acetylpseudotropine C10H17NO2 183.1259 NA KEGG NA NA +MJ005330 1-Hydroxymethylpyrrolizidine, Ac C10H17NO2 183.125928 NA MeJP NA NA +MJ005331 1-Pyrrolizidinecarboxylic acid, Et ester C10H17NO2 183.125928 NA MeJP NA NA +MJ005332 3,3-Diethyl-5-methyl-2,4-piperidinedione C10H17NO2 183.125928 NA MeJP NA NA +MJ005333 6-Hydroxy-2,6-dimethyl-2,7-octadienoic acid, Amide C10H17NO2 183.125928 NA MeJP NA NA +MJ005334 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, Ac C10H17NO2 183.125928 NA MeJP NA NA +MJ005335 Polihexanide C8H17N5 183.148395 NA MeJP NA NA +C09989 Tecostanine C11H21NO 183.1623 NA KEGG NA NA +MJ005336 4a-Hydroxyskytanthine C11H21NO 183.162314 NA MeJP NA NA +MJ005337 Halosaline, 8-Ketone, N-Me C11H21NO 183.162314 NA MeJP NA NA +MJ005338 Hydroxyskytanthine I C11H21NO 183.162314 NA MeJP NA NA +MJ005339 Incarvilline C11H21NO 183.162314 NA MeJP NA NA +MJ005340 Nitramine, N-Me C11H21NO 183.162314 NA MeJP NA NA +MJ005341 Skytanthine, N-Oxide C11H21NO 183.162314 NA MeJP NA NA +MJ005342 Tecostanine C11H21NO 183.162314 NA MeJP NA NA +MJ005343 2,2,6,6-Tetramethyl-4-piperidinone; N,N-Di-Me C11H22NO(+) 183.162314 NA MeJP NA NA +MJ005344 1-Ethyl-3-(2-methylbutyl)piperidine C12H25N 183.198699 NA MeJP NA NA +7869 peptide from Okara protein SDF 183.56345 MH2+ Inhouse_peptide NA peptide +8023 synthetic peptide PHD 183.56845 MH2+ Inhouse_peptide NA peptide +3488 ACE inhibitor from sake lees YW 183.571 MH2+ Inhouse_peptide NA peptide +7898 peptide from bovine b-lactoglobulin WY 183.571 MH2+ Inhouse_peptide NA peptide +8002 synthetic peptide LHV 183.605 MH2+ Inhouse_peptide NA peptide +C15233 Cadmium chloride CdCl2 183.8411 NA KEGG NA NA +MetaCyc01599 arsonoacetate [] C2H5O5AS1 183.935295 NA metacyc NA NA +C06550 Arsonoacetate C2H5AsO5 183.9353 NA KEGG NA NA +MJ005345 1-Iodo-2-propanone C3H5IO 183.938508 NA MeJP NA NA +MJ005346 Methyl 2-propenyl tetrasulfide C4H8S4 183.950883 NA MeJP NA NA +C00753 Tungsten W 183.9509 NA KEGG NA NA +C00754 Vanadate W 183.9509 NA KEGG NA NA +HMDB01989 Tungsten [W]4+ 183.950928 NA HMDB2010 NA NA +HMDB01989 Tungsten W 183.95093 http://www.hmdb.ca/metabolites/HMDB01989 PFEM_hmdb_metabocards_urine NA urine +HMDB01989 Tungsten W 183.95093 http://www.hmdb.ca/metabolites/HMDB01989 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01989 Tungsten W 183.95093 http://www.hmdb.ca/metabolites/HMDB01989 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01989 Tungsten W 183.95093 http://www.hmdb.ca/metabolites/HMDB01989 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01989 Tungsten W 183.95093 http://www.hmdb.ca/metabolites/HMDB01989 HMDB NA NA +HMDB01989 Tungsten W 183.95093 http://www.hmdb.ca/metabolites/HMDB01989 PFEM_hmdb_metabocards_blood NA blood +HMDB01989 Tungsten W 183.95093 HMDB01989 PFEM_hmdb_metabocards_official NA NA +MetaCyc01600 W+6 [tungsten ion;] W1 183.950933 NA metacyc NA NA +C07516 Enflurane C3H2ClF5O 183.9714 NA KEGG NA NA +C07518 Isoflurane C3H2ClF5O 183.9714 NA KEGG NA NA +MJ005347 2-Chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane C3H2ClF5O 183.971433 NA MeJP NA NA +MJ005348 2-Chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane C3H2ClF5O 183.971433 NA MeJP NA NA +MJ005349 1-Iodobutane C4H9I 183.974893 NA MeJP NA NA +MJ005350 3-Phosphonooxypyruvate C3H5O7P 183.977289 NA MeJP NA NA +MetaCyc01601 3-phospho-hydroxypyruvate [3-phosphonooxypyruvate;3-P-hydroxypyruvate;3-p-OH-pyr;3-phosphohydroxypyruvate;3-p-OH-pyruvate;3-p-hydroxy-pyr;3-phosphohydroxy-pyr;phosphohydroxypyruate;] C3H5O7P1 183.977289 3913-50-6 metacyc NA NA +HMDB01024 Phosphohydroxypyruvic acid C3H5O7P 183.97729 http://www.hmdb.ca/metabolites/HMDB01024 HMDB NA NA +HMDB01024 Phosphohydroxypyruvic acid C3H5O7P 183.97729 HMDB01024 PFEM_hmdb_metabocards_official NA NA +HMDB01024 Phosphohydroxypyruvic acid C3H5O7P 183.977295 NA HMDB2010 NA NA +C03232 3-Phosphonooxypyruvate C3H5O7P 183.9773 NA KEGG NA NA +MJ005351 4-Oxo-4H-pyran-2,6-dicarboxylic acid C7H4O6 184.000787 NA MeJP NA NA +MJ005352 2-Pyrone-4,6-dicarboxylate C7H4O6 184.000787 NA MeJP NA NA +MetaCyc01602 2-pyrone-4,6-dicarboxylate [2-pyrone-4,6-dicarboxylic acid;α-pyrone-4,6-dicarboxylate;α-pyrone-4,6-dicarboxylic acid;] C7H4O6 184.000788 NA metacyc NA NA +C03671 2-Pyrone-4,6-dicarboxylate C7H4O6 184.0008 NA KEGG NA NA +C08476 Chelidonic acid C7H4O6 184.0008 NA KEGG NA NA +CJneg0284 Imidazoleacetic acid isomers [(M-H)+(NaCl)]- C5H5ClN2NaO2 184.002125 C18rt(min)=0.94 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0284 Imidazoleacetic acid isomers [(M-H)+(NaCl)]- C5H5ClN2NaO2 184.002125 C18rt(min)=0.94 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ005353 Methyl 1-(methylthio)propyl disulfide; 5-Oxide C5H12OS3 184.005027 NA MeJP NA NA +C16613 6-Thiourate C5H4N4O2S 184.0055 NA KEGG NA NA +C02496 2,4-Dinitrophenol C6H4N2O5 184.012 NA KEGG NA NA +MetaCyc01603 3,4-dihydroxy-2-butanone-4-P [3,4-dihydroxy-2-butanone-4-phosphate;tetrolose phosphate;] C4H9O6P1 184.013675 NA metacyc NA NA +C15556 3,4-Dihydroxy-2-butanone 4-phosphate C4H9O6P 184.0137 NA KEGG NA NA +C11821 5-Hydroxyisourate C5H4N4O4 184.0233 NA KEGG NA NA +CJpos0457 Glutamine [M+K]+ C5H10O3N2K 184.024475 C18rt(min)=0.87 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0457 Glutamine [M+K]+ C5H10O3N2K 184.024475 C18rt(min)=0.87 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ005354 Dibenzothiophene C12H8S 184.03467 NA MeJP NA NA +MetaCyc01604 dibenzothiophene [DBT;diphenylene sulfide;] C12H8S1 184.034671 132-65-0 metacyc NA NA +HMDB01866 3,4-Dihydroxymandelic acid C8H8O5 184.03717 http://www.hmdb.ca/metabolites/HMDB01866 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01866 3,4-Dihydroxymandelic acid C8H8O5 184.03717 http://www.hmdb.ca/metabolites/HMDB01866 HMDB NA NA +HMDB01866 3,4-Dihydroxymandelic acid C8H8O5 184.03717 http://www.hmdb.ca/metabolites/HMDB01866 PFEM_hmdb_metabocards_blood NA blood +HMDB01866 3,4-Dihydroxymandelic acid C8H8O5 184.03717 HMDB01866 PFEM_hmdb_metabocards_official NA NA +HMDB01866 3,4-Dihydroxymandelic acid C8H8O5 184.03717 NA HMDB2010 NA NA +HMDB13198 4-O-Methylgallic acid C8H8O5 184.03717 NA HMDB2010 NA NA +MJ005355 2,3,5-Trihydroxyphenylacetic acid C8H8O5 184.037173 NA MeJP NA NA +MJ005356 2,3,6-Trihydroxybenzoic acid; 2-Me ether C8H8O5 184.037173 NA MeJP NA NA +MJ005357 2,3-Dihydroxy-5-methyl-1,4-benzoquinone; 2-Me ether, 5,6-epoxide C8H8O5 184.037173 NA MeJP NA NA +MJ005358 2,4,6-Trihydroxybenzoic acid; Me ester C8H8O5 184.037173 NA MeJP NA NA +MJ005359 2,5-Dihydroxy-3-methoxy-6-methyl-1,4-benzoquinone C8H8O5 184.037173 NA MeJP NA NA +MJ005360 2,5-Furandiacetic acid C8H8O5 184.037173 NA MeJP NA NA +MJ005361 3,4,5-Trihydroxybenzoic acid; 3-Me ether C8H8O5 184.037173 NA MeJP NA NA +MJ005362 3,4,5-Trihydroxybenzoic acid; 4-Me ether C8H8O5 184.037173 NA MeJP NA NA +MJ005363 3,4,5-Trihydroxybenzoic acid; Me ester C8H8O5 184.037173 NA MeJP NA NA +MJ005364 6-Hydroxymethyl-2,3,4-trihydroxybenzaldehyde C8H8O5 184.037173 NA MeJP NA NA +MJ005365 Pevalic acid C8H8O5 184.037173 NA MeJP NA NA +MJ005366 3,4-Dihydroxymandelate C8H8O5 184.037173 NA MeJP NA NA +MetaCyc01605 3-O-methylgallate [] C8H8O5 184.037173 NA metacyc NA NA +C05580 3,4-Dihydroxymandelate C8H8O5 184.0372 NA KEGG NA NA +C05616 3-O-Methylgallate C8H8O5 184.0372 NA KEGG NA NA +MJ005367 4-Amino-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxamide C7H8N2O4 184.048406 NA MeJP NA NA +C07732 Dibenzo-p-dioxin C12H8O2 184.0524 NA KEGG NA NA +C14409 2-Hydroxydibenzofuran C12H8O2 184.0524 NA KEGG NA NA +MJ005368 6-Hydroxy-1-phenyl-2,4-hexadiyn-1-one C12H8O2 184.052429 NA MeJP NA NA +MJ005369 Dibenzo-p-dioxin C12H8O2 184.052429 NA MeJP NA NA +MetaCyc01606 dibenzo-p-dioxin [dibenzodioxin;dibenzo[1,4]dioxin;dibenzo[b,e]dioxin;diphenylene dioxide;oxanthrene;phenodioxin;] C12H8O2 184.05243 262-12-4 metacyc NA NA +CJpos0458 4-Pyridoxic acid isomer [(M+H)]+ (13C) C713CH10NO4 184.055975 C18rt(min)=5.6 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0458 4-Pyridoxic acid isomer [(M+H)]+ (13C) C713CH10NO4 184.055975 C18rt(min)=5.6 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJneg0285 4-Pyridoxic acid isomer [(M-H)]- (13C) C713CH8NO4 184.057025 C18rt(min)=5.6 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0285 4-Pyridoxic acid isomer [(M-H)]- (13C) C713CH8NO4 184.057025 C18rt(min)=5.6 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ005370 3-(5-Oxazolyl)-1H-indole C11H8N2O 184.063662 NA MeJP NA NA +MJ005371 Diisopropyl phosphorofluoridate C6H14FO3P 184.066459 NA MeJP NA NA +MetaCyc01607 diisopropyl fluorophosphate [] C6H14O3F1P1 184.066459 NA metacyc NA NA +C00202 Isoflurophate C6H14FO3P 184.0665 NA KEGG NA NA +CJpos0459 Tiglylcarnitine 2-ethylacrylylcarnitine [(M+H)-NC3H9]+ C9H13O4 184.072975 C18rt(min)=5.5 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0459 Tiglylcarnitine § 2-ethylacrylylcarnitine [(M+H)-NC3H9]+ C9H13O4 184.072975 C18rt(min)=5.5 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ005372 1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether C9H12O4 184.073558 NA MeJP NA NA +MJ005373 1,2,3,5-Benzenetetrol; 1,3,5-Tri-Me ether C9H12O4 184.073558 NA MeJP NA NA +MJ005374 1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 4'-Me ether C9H12O4 184.073558 NA MeJP NA NA +MJ005375 1-(4-Hydroxyphenyl)-1,2,3-propanetriol C9H12O4 184.073558 NA MeJP NA NA +MJ005376 2-(3,4,5-Trihydroxyphenyl)ethanol; 4'-Me ether C9H12O4 184.073558 NA MeJP NA NA +MJ005377 4-Formyl-3-(2-oxoethyl)-4-hexenoic acid C9H12O4 184.073558 NA MeJP NA NA +MJ005378 5-Ethyl-4-methoxy-6-methyl-2H-pyran-2-one; (1'S)-Hydroxy C9H12O4 184.073558 NA MeJP NA NA +MJ005379 5-Ethyl-4-methoxy-6-methyl-2H-pyran-2-one; 2'-Hydroxy C9H12O4 184.073558 NA MeJP NA NA +MJ005380 7,8-Didehydro-6,10-dihydroxy-11-noriridomyrmecin C9H12O4 184.073558 NA MeJP NA NA +MJ005381 Artselaenin C C9H12O4 184.073558 NA MeJP NA NA +MJ005382 Asperlactone C9H12O4 184.073558 NA MeJP NA NA +MJ005383 Aspyrone C9H12O4 184.073558 NA MeJP NA NA +MJ005384 Buergerinin G C9H12O4 184.073558 NA MeJP NA NA +MJ005385 Deutziogenin C9H12O4 184.073558 NA MeJP NA NA +MJ005386 Genipic acid C9H12O4 184.073558 NA MeJP NA NA +MJ005387 Hypoxylactone C9H12O4 184.073558 NA MeJP NA NA +MJ005388 Jiofuran C9H12O4 184.073558 NA MeJP NA NA +MJ005389 Ningpogenin; 3-Oxo C9H12O4 184.073558 NA MeJP NA NA +MJ005390 Vertipyronediol; 1'-Deoxy C9H12O4 184.073558 NA MeJP NA NA +MJ005391 Viteolide I C9H12O4 184.073558 NA MeJP NA NA +MJ005392 2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate C9H12O4 184.073558 NA MeJP NA NA +MJ005393 3-Methoxy-4-hydroxyphenylethyleneglycol C9H12O4 184.073558 NA MeJP NA NA +MetaCyc01608 2-hydroxy-6-oxo-7-methyl-octa-2,4-dienoate [] C9H12O4 184.073559 NA metacyc NA NA +MetaCyc01609 cis-3-(carboxyethyl)-3,5-cyclohexadiene-1,2-diol [cis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-diol;3-(cis-5,6-dihydroxycyclohexa-1,3-dien-1-yl)propanoate;] C9H12O4 184.073559 NA metacyc NA NA +HMDB01490 Vanylglycol C9H12O4 184.07356 http://www.hmdb.ca/metabolites/HMDB01490 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01490 Vanylglycol C9H12O4 184.07356 http://www.hmdb.ca/metabolites/HMDB01490 HMDB NA NA +HMDB01490 Vanylglycol C9H12O4 184.07356 http://www.hmdb.ca/metabolites/HMDB01490 PFEM_hmdb_metabocards_blood NA blood +HMDB01490 Vanylglycol C9H12O4 184.07356 HMDB01490 PFEM_hmdb_metabocards_official NA NA +HMDB01490 Vanylglycol C9H12O4 184.073563 NA HMDB2010 NA NA +C04535 7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate C9H12O4 184.0736 NA KEGG NA NA +C05594 3-Methoxy-4-hydroxyphenylethyleneglycol C9H12O4 184.0736 NA KEGG NA NA +C06582 2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate C9H12O4 184.0736 NA KEGG NA NA +C10765 Antiarol C9H12O4 184.0736 NA KEGG NA NA +C11456 cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol C9H12O4 184.0736 NA KEGG NA NA +C11588 cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol C9H12O4 184.0736 NA KEGG NA NA +HMDB01565 Phosphorylcholine C5H15NO4P 184.073868 NA HMDB2010 NA NA +MetaCyc01610 phosphoryl-choline [choline phosphate;phosphocholine;N-Trimethyl-2-aminoethylphosphonate;O-Phosphocholine;] C5H15N1O4P1 184.073869 107-73-3 metacyc NA NA +HMDB01565 Phosphorylcholine C5H15NO4P 184.07387 http://www.hmdb.ca/metabolites/HMDB01565 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01565 Phosphorylcholine C5H15NO4P 184.07387 http://www.hmdb.ca/metabolites/HMDB01565 HMDB NA NA +HMDB01565 Phosphorylcholine C5H15NO4P 184.07387 NA ;SYN:Guanidino-N(1),N(2)-dimethylarginine; N(G1),N(G2)-Dimethylarginine; N,n'-dimethylarginine; N5-((methylamino)(methylimino)methyl)-L-Ornithine; N5-(N,N'-dimethylamidino)-L-Ornithine; N5-[bis(methylamino)methylene]-L-Ornithine; NG,N'G-Dimethyl-L-arginine; NG,N'G-dimethylarginine; NG,NG'-dimethylarginineH2Blood; Urine Inhouse_peptide NA peptide +HMDB01565 Phosphorylcholine C5H15NO4P 184.07387 http://www.hmdb.ca/metabolites/HMDB01565 PFEM_hmdb_metabocards_blood NA blood +HMDB01565 Phosphorylcholine C5H15NO4P 184.07387 HMDB01565 PFEM_hmdb_metabocards_official NA NA +C00588 Choline phosphate C5H15NO4P 184.0739 NA KEGG NA NA +C00589 Collagen type III C5H15NO4P 184.0739 NA KEGG NA NA +MJ005394 Barbital C8H12N2O3 184.084792 NA MeJP NA NA +MJ005395 Pentizidone C8H12N2O3 184.084792 NA MeJP NA NA +MJ005396 Primocarcin C8H12N2O3 184.084792 NA MeJP NA NA +MetaCyc01611 barbital [ethylbarbital;diethylmalonylurea;diemal;barbitone;veronal;medinal;barbital;] C8H12N2O3 184.084792 57-44-3 metacyc NA NA +MJ005397 1-(2-Methoxyphenyl)-2,4-hexadiyne C13H12O 184.088815 NA MeJP NA NA +MJ005398 2,5-Dihydro-2-(4,6,8-nonatrien-2-ynylidene)furan C13H12O 184.088815 NA MeJP NA NA +MJ005399 2,8,10,12-Tridecatetraene-4,6-diyn-1-ol C13H12O 184.088815 NA MeJP NA NA +MJ005400 2,8,10-Tridecatriene-4,6-diynal C13H12O 184.088815 NA MeJP NA NA +MJ005401 2-(1-Nonene-3,5,7-triynyl)furan, 2,3,4,5-Tetrahydro C13H12O 184.088815 NA MeJP NA NA +MJ005402 3,4-Dihydro-2H-naphtho[2,3-b]pyran C13H12O 184.088815 NA MeJP NA NA +MJ005403 3,5-Tridecadiene-7,9,11-triyn-1-ol C13H12O 184.088815 NA MeJP NA NA +MJ005404 3,8-Dimethyl-1-azulenecarboxaldehyde C13H12O 184.088815 NA MeJP NA NA +MJ005405 4-Benzylphenol C13H12O 184.088815 NA MeJP NA NA +MJ005406 7-Phenyl-4,6-heptadiyn-2-ol C13H12O 184.088815 NA MeJP NA NA +8058 synthetic peptide RHG 184.09 MH2+ Inhouse_peptide NA peptide +CJpos0460 Tetrahydrohippuric acid [(M+H)]+ (13C) C813CH14NO3 184.092375 C18rt(min)=6.33 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0460 Tetrahydrohippuric acid [(M+H)]+ (13C) C813CH14NO3 184.092375 C18rt(min)=6.33 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJneg0286 Tetrahydrohippuric acid [(M-H)]- (13C) C813CH12NO3 184.093425 C18rt(min)=6.33 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0286 Tetrahydrohippuric acid [(M-H)]- (13C) C813CH12NO3 184.093425 C18rt(min)=6.33 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MetaCyc01612 lathyrine [β-(2-amino-pyrimidin-4-yl)alanine;] C7H12N4O2 184.096026 NA metacyc NA NA +C10625 Withasomnine C12H12N2 184.1 NA KEGG NA NA +C16444 Benzidine C12H12N2 184.1 NA KEGG NA NA +MJ005407 3,4-Dihydro-1-methyl-?-carboline C12H12N2 184.100048 NA MeJP NA NA +MJ005408 5,6-Dihydro-3-phenyl-4H-pyrrolo[1,2-b]pyrazole C12H12N2 184.100048 NA MeJP NA NA +CJpos0461 2-ethylsuberic acid [(M+H)-(H2O)]+ C10H17O3 184.109375 C18rt(min)=6.6 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0462 Heptylmalonic acid [(M+H)-(H2O)]+ C10H17O3 184.109375 C18rt(min)=6.05 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0461 2-ethylsuberic acid [(M+H)-(H2O)]+ C10H17O3 184.109375 C18rt(min)=6.6 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0462 Heptylmalonic acid [(M+H)-(H2O)]+ C10H17O3 184.109375 C18rt(min)=6.05 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C03843 5-exo-Hydroxy-1,2-campholide C10H16O3 184.1099 NA KEGG NA NA +C04718 1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one C10H16O3 184.1099 NA KEGG NA NA +C06066 4,5-Dihydro-5,5-dimethyl-4-(3-oxobutyl)furan-2(3H)-one C10H16O3 184.1099 NA KEGG NA NA +C11405 (3R)-3-Isopropenyl-6-oxoheptanoate C10H16O3 184.1099 NA KEGG NA NA +C11419 (3S)-3-Isopropenyl-6-oxoheptanoate C10H16O3 184.1099 NA KEGG NA NA +MJ005409 1,2-Dihydroxy-p-menth-3-en-5-one C10H16O3 184.109944 NA MeJP NA NA +MJ005410 1,3-Dihydroxy-p-menth-3-en-2-one C10H16O3 184.109944 NA MeJP NA NA +MJ005411 1,6-Dihydroxy-p-menth-3-en-2-one C10H16O3 184.109944 NA MeJP NA NA +MJ005412 1,7-Dihydroxy-3,7-dimethyl-2,5-octadien-4-one C10H16O3 184.109944 NA MeJP NA NA +MJ005413 10-Oxo-8-decenoic acid C10H16O3 184.109944 NA MeJP NA NA +MJ005414 2,3,10-Bornanetriol, 3-Ketone C10H16O3 184.109944 NA MeJP NA NA +MJ005415 2,6-Dimethyl-2,6-octadiene-1,8-diol, 1-Carboxylic acid C10H16O3 184.109944 NA MeJP NA NA +MJ005416 2,8-Dihydroxy-p-menth-3-en-5-one C10H16O3 184.109944 NA MeJP NA NA +MJ005417 3,8-Dihydroxy-p-menth-1-en-6-one C10H16O3 184.109944 NA MeJP NA NA +MJ005418 4,5-Dihydroxy-2,6,6-trimethyl-2-cyclohepten-1-one C10H16O3 184.109944 NA MeJP NA NA +MJ005419 5-Butyltetrahydrofuro[3,2-b]furan-2(3H)-one C10H16O3 184.109944 NA MeJP NA NA +MJ005420 5-Hydroxy-3-(1-hydroxy-2-methylbutyl)-4-methyl-2(5H)-furanone; 5-Deoxy C10H16O3 184.109944 NA MeJP NA NA +MJ005421 6,8-Decadiene-1,3,5-triol, 5-Ketone C10H16O3 184.109944 NA MeJP NA NA +MJ005422 6-Hydroxy-2,6-dimethyl-2,7-octadienoic acid C10H16O3 184.109944 NA MeJP NA NA +MJ005423 7-Hydroxy-6-methyl-2,4-nonadienoic acid C10H16O3 184.109944 NA MeJP NA NA +MJ005424 8-Hydroxy-p-menth-1-en-7-oic acid C10H16O3 184.109944 NA MeJP NA NA +MJ005425 9,10-Dihydroxy-2-fenchanone C10H16O3 184.109944 NA MeJP NA NA +MJ005426 9-Oxo-2-decenoic acid C10H16O3 184.109944 NA MeJP NA NA +MJ005427 Aspinolide A C10H16O3 184.109944 NA MeJP NA NA +MJ005428 Diplodialide B C10H16O3 184.109944 NA MeJP NA NA +MJ005429 Elsholtzidiol C10H16O3 184.109944 NA MeJP NA NA +MJ005430 Lachnellin B C10H16O3 184.109944 NA MeJP NA NA +MJ005431 Nepetalic acid C10H16O3 184.109944 NA MeJP NA NA +MJ005432 Ramulosin; 8?,8a?-Dihydro, 3,4a-diepimer C10H16O3 184.109944 NA MeJP NA NA +MJ005433 Ramulosin; 8?,8a?-Dihydro C10H16O3 184.109944 NA MeJP NA NA +MJ005434 Secothujene C10H16O3 184.109944 NA MeJP NA NA +MetaCyc01613 4,5-dihydro-5,5-dimethyl-4-(3-oxobutyl)furan-2(3H)-one [(R)-5,5-dimethyl-4-(3'-oxobutyl)-4,5-dihydrofuran-2(3H)-one;] C10H16O3 184.109944 NA metacyc NA NA +MetaCyc01614 1,6,6-trimethyl-2,7-dioxobicyclo-(3,2,2)nonan-3-one [1,6,6-trimethyl-2,7-dioxabicyclo(3,2,2)nonan-3-one;] C10H16O3 184.109944 NA metacyc NA NA +MJ005435 Mitoguazone C5H12N8 184.118492 NA MeJP NA NA +CJpos0463 Asp-Leu Asp-Ile [(M+H)-(H2O)-(CO2)]+ C9H17N2O2 184.120675 C18rt(min)=4.95 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0463 Asp-Leu § Asp-Ile [(M+H)-(H2O)-(CO2)]+ C9H17N2O2 184.120675 C18rt(min)=4.95 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ005436 Apronolide C9H16N2O2 184.121177 NA MeJP NA NA +MJ005437 Cyclo(alanylisoleucyl) C9H16N2O2 184.121177 NA MeJP NA NA +MJ005438 Cyclo(alanylleucyl) C9H16N2O2 184.121177 NA MeJP NA NA +C09633 Chamazulene C14H16 184.1252 NA KEGG NA NA +MJ005439 1,2-Dihydro-3-isopropenyl-5-methylnaphthalene C14H16 184.1252 NA MeJP NA NA +MJ005440 1,4-Dimethyl-7-ethylazulene C14H16 184.1252 NA MeJP NA NA +C08571 gamma-Undecalactone C11H20O2 184.1463 NA KEGG NA NA +C12295 Citronellyl formate C11H20O2 184.1463 NA KEGG NA NA +C13823 11-Undecanolactone C11H20O2 184.1463 NA KEGG NA NA +C13910 Undecylenic acid C11H20O2 184.1463 NA KEGG NA NA +C13911 Transferred to D02160 C11H20O2 184.1463 NA KEGG NA NA +C13912 Transferred to D02161 C11H20O2 184.1463 NA KEGG NA NA +MJ005441 1-Nonen-3-ol, Ac C11H20O2 184.146329 NA MeJP NA NA +MJ005442 10-Undecenoic acid C11H20O2 184.146329 NA MeJP NA NA +MJ005443 2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene; Tetrahydro C11H20O2 184.146329 NA MeJP NA NA +MJ005444 2,3,7-Trimethyl-1,6-dioxaspiro[4.5]decane C11H20O2 184.146329 NA MeJP NA NA +MJ005445 2,7-Diethyl-1,6-dioxaspiro[4.4]nonane C11H20O2 184.146329 NA MeJP NA NA +MJ005446 2,7-Dimethyl-1,6-dioxaspiro[4.6]undecane C11H20O2 184.146329 NA MeJP NA NA +MJ005447 2,8-Dimethyl-1,7-dioxaspiro[5.5]undecane C11H20O2 184.146329 NA MeJP NA NA +MJ005448 2-Ethyl-1,7-dioxaspiro[5.5]undecane C11H20O2 184.146329 NA MeJP NA NA +MJ005449 2-Hexyl-1-cyclopropaneacetic acid C11H20O2 184.146329 NA MeJP NA NA +MJ005450 2-Methyl-1,7-dioxaspiro[5.6]dodecane C11H20O2 184.146329 NA MeJP NA NA +MJ005451 2-Methyl-2-pentenoic acid, (S)-1-Methylbutyl ester C11H20O2 184.146329 NA MeJP NA NA +MJ005452 2-Methyl-7-propyl-1,6-dioxaspiro[4.4]nonane C11H20O2 184.146329 NA MeJP NA NA +MJ005453 3,7-Dimethyl-6-octenoic acid, Me ester C11H20O2 184.146329 NA MeJP NA NA +MJ005454 3-Hexen-1-ol, Pentanoyl C11H20O2 184.146329 NA MeJP NA NA +MJ005455 3-Methyl-3-decenoic acid C11H20O2 184.146329 NA MeJP NA NA +MJ005456 3-Methyl-4-decenoic acid C11H20O2 184.146329 NA MeJP NA NA +MJ005457 4,6-Dimethyl-3,7-nonanediol; Diketone C11H20O2 184.146329 NA MeJP NA NA +MJ005458 5-Heptyldihydro-2(3H)-furanone C11H20O2 184.146329 NA MeJP NA NA +MJ005459 7-Ethyl-2-methyl-1,6-dioxaspiro[4.5]decane C11H20O2 184.146329 NA MeJP NA NA +MJ005460 7-Hydroxy-4,6-dimethyl-4-nonen-3-one C11H20O2 184.146329 NA MeJP NA NA +MJ005461 8-Nonen-1-ol; Ac C11H20O2 184.146329 NA MeJP NA NA +MJ005462 Chokol G C11H20O2 184.146329 NA MeJP NA NA +MJ005463 Sordidin C11H20O2 184.146329 NA MeJP NA NA +MJ005464 Stellatol C11H20O2 184.146329 NA MeJP NA NA +MJ005465 Tetrahydro-5-methyl-6-pentyl-2H-pyran-2-one C11H20O2 184.146329 NA MeJP NA NA +MJ005466 Guanazodine C9H20N4 184.168796 NA MeJP NA NA +C02278 Dodecylaldehyde C12H24O 184.1827 NA KEGG NA NA +MJ005467 10-Dodecen-1-ol C12H24O 184.182715 NA MeJP NA NA +MJ005468 11-Dodecen-1-ol C12H24O 184.182715 NA MeJP NA NA +MJ005469 2-Dodecanone C12H24O 184.182715 NA MeJP NA NA +MJ005470 3-Dodecen-1-ol C12H24O 184.182715 NA MeJP NA NA +MJ005471 4,5-Dimethyldecanal C12H24O 184.182715 NA MeJP NA NA +MJ005472 4,8-Dimethyldecanal C12H24O 184.182715 NA MeJP NA NA +MJ005473 8-Dodecen-1-ol C12H24O 184.182715 NA MeJP NA NA +MJ005474 9-Dodecen-1-ol C12H24O 184.182715 NA MeJP NA NA +MJ005475 Dodecanal C12H24O 184.182715 NA MeJP NA NA +C13834 Tridecane C13H28 184.2191 NA KEGG NA NA +MJ005476 2,2,4-Trimethyldecane C13H28 184.2191 NA MeJP NA NA +MJ005477 2,2,8-Trimethyldecane C13H28 184.2191 NA MeJP NA NA +MJ005478 2,2,9-Trimethyldecane C13H28 184.2191 NA MeJP NA NA +MJ005479 2,3,4-Trimethyldecane C13H28 184.2191 NA MeJP NA NA +MJ005480 2,3,7-Trimethyldecane C13H28 184.2191 NA MeJP NA NA +MJ005481 2,6,7-Trimethyldecane C13H28 184.2191 NA MeJP NA NA +MJ005482 2,6,8-Trimethyldecane C13H28 184.2191 NA MeJP NA NA +MJ005483 2-Methyldodecane C13H28 184.2191 NA MeJP NA NA +MJ005484 3,3,4-Trimethyldecane C13H28 184.2191 NA MeJP NA NA +MJ005485 3-Methyldodecane C13H28 184.2191 NA MeJP NA NA +MJ005486 4-Methyldodecane C13H28 184.2191 NA MeJP NA NA +MJ005487 5-Methyldodecane C13H28 184.2191 NA MeJP NA NA +MJ005488 6-Methyldodecane C13H28 184.2191 NA MeJP NA NA +MJ005489 Tridecane C13H28 184.2191 NA MeJP NA NA +8001 synthetic peptide LHT 184.5945 MH2+ Inhouse_peptide NA peptide +HMDB02014 cis-5-Tetradecenoylcarnitine C21H39NO4 184.6439515 MH2+ Inhouse_peptide NA peptide +MJ005490 Sodium pertechnetate (NaTcO4) NaO4Tc 184.876643 NA MeJP NA NA +MetaCyc01615 iodoacetate [monoiodoacetate;] C2H2O2I1 184.909947 NA metacyc NA NA +MetaCyc01616 iodoacetamide [iodoacetoamide;2-iodoacetamide;acetamide, 2-iodo-;monoiodoacetamide;surauto;N-(3-methoxy-4-butoxybenzyl)thiobarbituric acid;] C2H4N1O1I1 184.933757 NA metacyc NA NA +CJpos0464 Taurine (and isomer) [(M-H)+Na+K]+ C2H6O3NNaKS 184.951975 C18rt(min)=0.88 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0464 Taurine (and isomer) [(M-H)+Na+K]+ C2H6O3NNaKS 184.951975 C18rt(min)=0.88 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ005491 6-Chloro-1,2-benzisothiazol-3(2H)-one C7H4ClNOS 184.970212 NA MeJP NA NA +JH043 Glutamic acid [M+K]+ NA 184.9979 1.23 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH043 Glutamic acid [M+K]+ NA 184.9979 1.23 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH043 Glutamic acid [M+K]+ NA 184.9979 1.23 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH043 Glutamic acid [M+K]+ NA 184.9979 1.23 Inhousejuil11 NA NA +C02703 L-Serine O-sulfate C3H7NO6S 184.9994 NA KEGG NA NA +MetaCyc01617 L-serine O-sulfate [] C3H7N1O6S1 184.999408 NA metacyc NA NA +C01005 O-Phospho-L-serine C3H8NO6P 185.0089 NA KEGG NA NA +C02532 D-O-Phosphoserine C3H8NO6P 185.0089 NA KEGG NA NA +MJ005492 3-Phosphoserine C3H8NO6P 185.008923 NA MeJP NA NA +MJ005493 Fosfoxacin C3H8NO6P 185.008923 NA MeJP NA NA +MJ005494 O-Phosphoserine C3H8NO6P 185.008923 NA MeJP NA NA +MetaCyc01618 3-phospho-serine [O-phospho-L-serine;serine phosphate;phosphorylserine;seryl phosphate;3-P-serine;serine-3-p;serine-3-phosphate;phosphoserine;P-serine;3-phospho-1-serine;P-ser;3-phosphoserine;] C3H8N1O6P1 185.008924 17885-08-4 metacyc NA NA +HMDB00272 Phosphoserine C3H8NO6P 185.008926 NA HMDB2010 NA NA +HMDB01721 DL-O-Phosphoserine C3H8NO6P 185.008926 NA HMDB2010 NA NA +HMDB00272 Phosphoserine C3H8NO6P 185.00893 http://www.hmdb.ca/metabolites/HMDB00272 PFEM_hmdb_metabocards_urine NA urine +HMDB00272 Phosphoserine C3H8NO6P 185.00893 http://www.hmdb.ca/metabolites/HMDB00272 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00272 Phosphoserine C3H8NO6P 185.00893 http://www.hmdb.ca/metabolites/HMDB00272 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00272 Phosphoserine C3H8NO6P 185.00893 http://www.hmdb.ca/metabolites/HMDB00272 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00272 Phosphoserine C3H8NO6P 185.00893 http://www.hmdb.ca/metabolites/HMDB00272 HMDB NA NA +HMDB01721 DL-O-Phosphoserine C3H8NO6P 185.00893 http://www.hmdb.ca/metabolites/HMDB01721 HMDB NA NA +HMDB00272 Phosphoserine C3H8NO6P 185.00893 NA ;SYN:3-Carboxylpyridine; 3-Carboxypyridine; 3-Pyridinecarboxylate; 3-Pyridinecarboxylic acid; 3-Pyridylcarboxylate; 3-Pyridylcarboxylic acid; Akotin; Apelagrin; Daskil; Efacin; Enduracin; Linic; Niac; Niacor; Nicacid; Nicangin; Nico-Span; Nicodelmine; Niconacid; Nicosan 3; Nicotinate; Nicotinic acid; Nicotinipca; Nicyl; Nyclin; Pellagrin; Pelonin; Slo-niacin; niacin; niacine; nicamin; nicobid; nicocap; nicolar; wampocapH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00272 Phosphoserine C3H8NO6P 185.00893 http://www.hmdb.ca/metabolites/HMDB00272 PFEM_hmdb_metabocards_blood NA blood +HMDB00272 Phosphoserine C3H8NO6P 185.00893 HMDB00272 PFEM_hmdb_metabocards_official NA NA +HMDB01721 DL-O-Phosphoserine C3H8NO6P 185.00893 HMDB01721 PFEM_hmdb_metabocards_official NA NA +C04409 2-Amino-3-carboxymuconate semialdehyde C7H7NO5 185.0324 NA KEGG NA NA +HMDB01330 2-amino-3-carboxymuconic acid semialdehyde C7H7NO5 185.03242 http://www.hmdb.ca/metabolites/HMDB01330 HMDB NA NA +HMDB01330 2-amino-3-carboxymuconic acid semialdehyde C7H7NO5 185.03242 HMDB01330 PFEM_hmdb_metabocards_official NA NA +MJ005495 2-Amino-3-carboxymuconate semialdehyde C7H7NO5 185.032422 NA MeJP NA NA +MJ005496 6-Hydroxy-5-methoxy-1-methyl-2,3,4(1H)-pyridinetrione C7H7NO5 185.032422 NA MeJP NA NA +MJ005497 Amino(3-oxo-1-propenyl)-2-butenedioic acid C7H7NO5 185.032422 NA MeJP NA NA +MJ005498 Enaminomycin C C7H7NO5 185.032422 NA MeJP NA NA +MetaCyc01619 2-amino-3-carboxymuconate semialdehyde [2-amino-3-carboxymuconate-6-semialdehyde;ACS;] C7H7N1O5 185.032422 NA metacyc NA NA +MetaCyc01620 2-amino-3-(3-oxoprop-2-enyl)-but-2-enedioate [] C7H7N1O5 185.032422 NA metacyc NA NA +HMDB01330 2-Amino-3-carboxymuconic acid semialdehyde C7H7NO5 185.032425 NA HMDB2010 NA NA +MJ005499 10-Hydroxy-2,4,6,8-undecatetraynoic acid; Amide C11H7NO2 185.047678 NA MeJP NA NA +JH157 N-acetyl-D-glucosamine [M+H-2H2O]+ NA 185.0683 1.39 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH157 N-acetyl-D-glucosamine [M+H-2H2O]+ NA 185.0683 1.39 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH157 N-acetyl-D-glucosamine [M+H-2H2O]+ NA 185.0683 1.39 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH157 N-acetyl-D-glucosamine [M+H-2H2O]+ NA 185.0683 1.39 Inhousejuil11 NA NA +MJ005500 1-(1-Hydroxyethyl)-3-isocyano-4-cyclopentene-1,2,3-triol C8H11NO4 185.068807 NA MeJP NA NA +MJ005501 1-(1-Hydroxyethyl)-4-isocyano-4-cyclopentene-1,2,3-triol C8H11NO4 185.068807 NA MeJP NA NA +MJ005502 2-(1-Hydroxyethyl)-4-isocyano-4-cyclopentene-1,2,3-triol C8H11NO4 185.068807 NA MeJP NA NA +MJ005503 2-Amino-4,5-dihydroxy-2-cyclohexen-1-one, N-Ac C8H11NO4 185.068807 NA MeJP NA NA +MJ005504 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid C8H11NO4 185.068807 NA MeJP NA NA +MJ005505 5-Hydroxy-4-methoxymethyl-1H-pyrrole-3-carboxylic acid; Me ester C8H11NO4 185.068807 NA MeJP NA NA +MJ005506 ?-Amino-3-carboxybicyclo[1.1.1]pentane-1-acetic acid C8H11NO4 185.068807 NA MeJP NA NA +CJneg0287 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(H2O)]- C8H10NO4 185.069325 C18rt(min)=5.1 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0287 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(H2O)]- C8H10NO4 185.069325 C18rt(min)=5.1 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0465 5,6-Dihydrouracil [(2M+H)-(NHCO)]+ C7H12N3O3 185.079475 C18rt(min)=1.1 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0465 5,6-Dihydrouracil [(2M+H)-(NHCO)]+ C7H12N3O3 185.079475 C18rt(min)=1.1 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ005507 Secnidazole C7H11N3O3 185.080041 NA MeJP NA NA +MJ005508 Ternidazole C7H11N3O3 185.080041 NA MeJP NA NA +MJ005509 2-(1-Propenyl)quinoline; 1',2'-Epoxide C12H11NO 185.084063 NA MeJP NA NA +MJ005510 4-(1H-Indol-3-yl)-3-buten-2-one C12H11NO 185.084063 NA MeJP NA NA +MetaCyc01621 N-hydroxy-4-aminobiphenyl [] C12H11N1O1 185.084064 1204-79-1 metacyc NA NA +C03622 N-Hydroxy-4-aminobiphenyl C12H11NO 185.0841 NA KEGG NA NA +EUR259 Ergothioneine F3 F3 185.095375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR259 Ergothioneine F3 NA 185.095375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR259 Ergothioneine F3 F3 185.095375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR259 Ergothioneine F3 NA 185.095375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR259 Ergothioneine F3 F3 185.095375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR259 Ergothioneine F3 NA 185.095375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR259 Ergothioneine F3 F3 185.095375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR259 Ergothioneine F3 F3 185.095375 standards wishlist analysés sur QTOF HMDB NA NA +EUR259 Ergothioneine F3 F3 185.095375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR259 Ergothioneine F3 NA 185.095375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR259 Ergothioneine F3 F3 185.095375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR259 Ergothioneine F3 F3 185.095375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB06348 pseudoecgonine C9H15NO3 185.10519 http://www.hmdb.ca/metabolites/HMDB06348 HMDB NA NA +HMDB06548 ecgonine C9H15NO3 185.10519 http://www.hmdb.ca/metabolites/HMDB06548 HMDB NA NA +HMDB06348 pseudoecgonine C9H15NO3 185.10519 HMDB06348 PFEM_hmdb_metabocards_official NA NA +HMDB06548 ecgonine C9H15NO3 185.10519 HMDB06548 PFEM_hmdb_metabocards_official NA NA +MJ005511 6-Hydroxy-1-pyrrolizidinecarboxylic acid, Me ester C9H15NO3 185.105193 NA MeJP NA NA +MJ005512 8-Azabicyclo[3.2.1]octane-2,6-diol, 6-Ac C9H15NO3 185.105193 NA MeJP NA NA +MJ005513 Hexahydro-2-hydroxy-2-methyl-1H-pyrrolizine-1-carboxylic acid C9H15NO3 185.105193 NA MeJP NA NA +MJ005514 Otonecine C9H15NO3 185.105193 NA MeJP NA NA +HMDB06348 Pseudoecgonine C9H15NO3 185.105194 NA HMDB2010 NA NA +HMDB06548 Ecgonine C9H15NO3 185.105194 NA HMDB2010 NA NA +C10356 Otonecine C9H15NO3 185.1052 NA KEGG NA NA +C10858 Ecgonine C9H15NO3 185.1052 NA KEGG NA NA +C12449 Pseudoecgonine C9H15NO3 185.1052 NA KEGG NA NA +3404 ACE inhibitor VRP 185.1105 MH2+ Inhouse_peptide NA peptide +HMDB06828 Protein N6-methyl-L-lysine C8H15N3O2 185.11642 http://www.hmdb.ca/metabolites/HMDB06828 HMDB NA NA +HMDB06828 Protein N6-methyl-L-lysine C8H15N3O2 185.11642 HMDB06828 PFEM_hmdb_metabocards_official NA NA +MJ005515 3-(3-Methyl-2-butenyl)-1H-indole C13H15N 185.120449 NA MeJP NA NA +MJ005516 5-(3-Methyl-2-butenyl)-1H-indole C13H15N 185.120449 NA MeJP NA NA +MJ005517 6-(3-Methyl-2-butenyl)-1H-indole C13H15N 185.120449 NA MeJP NA NA +MJ005518 7-(3-Methyl-2-butenyl)-1H-indole C13H15N 185.120449 NA MeJP NA NA +CJpos0466 Asp-Leu Asp-Ile [(M+H)-(H2O)-(CO2)]+ (13C) C813CH17N2O2 185.123975 C18rt(min)=4.95 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0466 Asp-Leu § Asp-Ile [(M+H)-(H2O)-(CO2)]+ (13C) C813CH17N2O2 185.123975 C18rt(min)=4.95 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ005519 4-Hydroxyepilupinine C10H19NO2 185.141578 NA MeJP NA NA +MJ005520 Epilupinine, N-Oxide C10H19NO2 185.141578 NA MeJP NA NA +MJ005521 Procymate C10H19NO2 185.141578 NA MeJP NA NA +MJ005522 Choline; O-(3-Methyl-2-butenoyl) C10H20NO2(+) 185.141578 NA MeJP NA NA +MJ005523 Etoformin C8H19N5 185.164045 NA MeJP NA NA +MJ005524 2,2-Dipropylpentanoic acid; Amide C11H23NO 185.177964 NA MeJP NA NA +MJ005525 Halosaline, N-Me C11H23NO 185.177964 NA MeJP NA NA +MJ005526 Silver(I) bromide (AgBr) AgBr 185.82343 NA MeJP NA NA +MetaCyc01622 1,2-dibromoethane [] C2H4BR2 185.867975 NA metacyc NA NA +C11088 1,2-Dibromoethane C2H4Br2 185.868 NA KEGG NA NA +MJ005527 Disodium arsenate AsHNa2O4 185.888619 NA MeJP NA NA +C14846 4-Bromo-3,5-cyclohexadiene-1,2-dione C6H3BrO2 185.9316 NA KEGG NA NA +MJ005528 Bis[(methylthio)methyl] disulfide C4H10S4 185.966533 NA MeJP NA NA +MJ005529 Bis(2-hydroxyethyl) trisulfide C4H10O2S3 185.984291 NA MeJP NA NA +MJ005530 O-Ethyl S-(methylthiomethyl) thiosulfite C4H10O2S3 185.984291 NA MeJP NA NA +MJ005531 Pyrrothine C6H6N2OS2 185.992154 NA MeJP NA NA +C00197 3-Phospho-D-glycerate C3H7O7P 185.9929 NA KEGG NA NA +C00597 3-Phospho-DL-glycerate C3H7O7P 185.9929 NA KEGG NA NA +C00631 2-Phospho-D-glycerate C3H7O7P 185.9929 NA KEGG NA NA +HMDB00362 2-Phosphoglyceric acid C3H7O7P 185.992935 NA HMDB2010 NA NA +HMDB00807 3-Phosphoglyceric acid C3H7O7P 185.992935 NA HMDB2010 NA NA +HMDB03391 2-Phospho-D-glyceric acid C3H7O7P 185.992935 NA HMDB2010 NA NA +MJ005532 2-Phospho-D-glycerate C3H7O7P 185.992939 NA MeJP NA NA +MJ005533 3-Phospho-D-glycerate C3H7O7P 185.992939 NA MeJP NA NA +MetaCyc01623 3-phosphoglycerate [3-phospho-(R)-glycerate;3-phospho-glyceric acid;g3p;3-pg;3-P-glycerate;glycerate 3-phosphate;3-phospho-D-glycerate;3-P-D-glycerate;glycerate-3-P;D-Glycerate 3-phosphate;phosphoglycerate;] C3H7O7P1 185.992939 820-11-1 metacyc NA NA +MetaCyc01624 2-phosphoglycerate [phosphoglycerate;2-phosphoglyceric acid;2-pg;2-P-glycerate;glycerate 2-phosphate;2-phospho-D-glycerate;2-P-D-glycerate;D-Glycerate 2-phosphate;] C3H7O7P1 185.992939 2553-59-5 metacyc NA NA +HMDB00362 2-Phosphoglyceric acid C3H7O7P 185.99294 http://www.hmdb.ca/metabolites/HMDB00362 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00807 3-Phosphoglyceric acid C3H7O7P 185.99294 http://www.hmdb.ca/metabolites/HMDB00807 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00362 2-Phosphoglyceric acid C3H7O7P 185.99294 http://www.hmdb.ca/metabolites/HMDB00362 HMDB NA NA +HMDB00807 3-Phosphoglyceric acid C3H7O7P 185.99294 http://www.hmdb.ca/metabolites/HMDB00807 HMDB NA NA +HMDB03391 2-Phospho-D-glycerate C3H7O7P 185.99294 http://www.hmdb.ca/metabolites/HMDB03391 HMDB NA NA +HMDB00362 2-Phosphoglyceric acid C3H7O7P 185.99294 http://www.hmdb.ca/metabolites/HMDB00362 PFEM_hmdb_metabocards_blood NA blood +HMDB00807 3-Phosphoglyceric acid C3H7O7P 185.99294 http://www.hmdb.ca/metabolites/HMDB00807 PFEM_hmdb_metabocards_blood NA blood +HMDB00362 2-Phosphoglyceric acid C3H7O7P 185.99294 HMDB00362 PFEM_hmdb_metabocards_official NA NA +HMDB00807 3-Phosphoglyceric acid C3H7O7P 185.99294 HMDB00807 PFEM_hmdb_metabocards_official NA NA +HMDB03391 2-Phospho-D-glycerate C3H7O7P 185.99294 HMDB03391 PFEM_hmdb_metabocards_official NA NA +HMDB06039 8-Chloroxanthine C5H3ClN4O2 185.994446 NA HMDB2010 NA NA +HMDB06039 8-Chloroxanthine C5H3ClN4O2 185.99445 http://www.hmdb.ca/metabolites/HMDB06039 HMDB NA NA +HMDB06039 8-Chloroxanthine C5H3ClN4O2 185.99445 HMDB06039 PFEM_hmdb_metabocards_official NA NA +MJ005534 4-Sulfobenzaldehyde C7H6O4S 185.998679 NA MeJP NA NA +MetaCyc01625 4-sulfobenzaldehyde [4-sulphobenzaldehyde;p-sulfobenzaldehyde;] C7H6O4S1 185.998679 NA metacyc NA NA +MetaCyc01626 4-formylbenzenesulfonate [4-sulfobenzaldehyde;] C7H6O4S1 185.998679 NA metacyc NA NA +C06679 4-Sulfobenzaldehyde C7H6O4S 185.9987 NA KEGG NA NA +MJ005535 (3-Chloro-4-hydroxyphenyl)acetic acid C8H7ClO3 186.008371 NA MeJP NA NA +MJ005536 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde C8H7ClO3 186.008371 NA MeJP NA NA +MJ005537 3-Chloro-4-hydroxybenzoic acid; Me ether C8H7ClO3 186.008371 NA MeJP NA NA +MJ005538 3-Chloro-6-hydroxy-4-methylbenzoic acid C8H7ClO3 186.008371 NA MeJP NA NA +MJ005539 4-Chlorophenoxyacetate C8H7ClO3 186.008371 NA MeJP NA NA +C07088 4-Chlorophenoxyacetate C8H7ClO3 186.0084 NA KEGG NA NA +C01163 3-Carboxy-cis,cis-muconate C7H6O6 186.0164 NA KEGG NA NA +C01278 2-Carboxy-2,5-dihydro-5-oxofuran-2-acetate C7H6O6 186.0164 NA KEGG NA NA +C02167 Maleylpyruvate C7H6O6 186.0164 NA KEGG NA NA +C02514 3-Fumarylpyruvate C7H6O6 186.0164 NA KEGG NA NA +C03666 2-Carboxy-cis,cis-muconate C7H6O6 186.0164 NA KEGG NA NA +C03667 2-Hydroxycarbonyl compound C2H3O2R 186.0164 NA KEGG NA NA +C03668 2-Hydroxydicarboxylic acid C3H4O5 186.0164 NA KEGG NA NA +C04480 3-Carboxy-2-hydroxymuconate semialdehyde C7H6O6 186.0164 NA KEGG NA NA +C04482 3-Phosphatidyl-1'-(3'-O-L-lysyl)glycerol C14H25N2O11PR2 186.0164 NA KEGG NA NA +C04484 4-Carboxy-2-hydroxymuconate semialdehyde C7H6O6 186.0164 NA KEGG NA NA +C04553 3-Carboxy-2,5-dihydro-5-oxofuran-2-acetate C7H6O6 186.0164 NA KEGG NA NA +C05375 2-Hydroxy-2-hydropyrone-4,6-dicarboxylate C7H6O6 186.0164 NA KEGG NA NA +MJ005540 2-Carboxy-2,5-dihydro-5-oxofuran-2-acetate C7H6O6 186.016437 NA MeJP NA NA +MJ005541 3-Carboxy-2,5-dihydro-5-oxofuran-2-acetate C7H6O6 186.016437 NA MeJP NA NA +MJ005542 3-Carboxy-cis,cis-muconate C7H6O6 186.016437 NA MeJP NA NA +MJ005543 3-Carboxy-2-hydroxymuconate semialdehyde C7H6O6 186.016437 NA MeJP NA NA +MJ005544 3-Fumarylpyruvate C7H6O6 186.016437 NA MeJP NA NA +MJ005545 4-Carboxy-2-hydroxymuconate semialdehyde C7H6O6 186.016437 NA MeJP NA NA +MJ005546 Maleylpyruvate C7H6O6 186.016437 NA MeJP NA NA +MJ005547 2-Carboxy-2,5-dihydro-5-oxo-2-furanacetic acid C7H6O6 186.016437 NA MeJP NA NA +MJ005548 3-Carboxy-2,5-dihydro-5-oxo-2-furanacetic acid C7H6O6 186.016437 NA MeJP NA NA +MJ005549 Osbeckic acid C7H6O6 186.016437 NA MeJP NA NA +MetaCyc01627 2-hydroxy-4-carboxymuconate-6- semialdehyde [4-carboxy-2-hydroxymuconate semialdehyde;4-carboxy-2-hydroxymuconate-6-semialdehyde;4-carboxy-2-hydroxy-muconate semialdehyde;HCMS;α-hydroxy-γ-carboxymuconic ε-semialdehyde;α-hydroxy-γ-carboxymuconic semialdehyde;4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde;] C7H6O6 186.016438 28345-81-5 metacyc NA NA +MetaCyc01628 2-carboxy-2,5-dihydro-5-oxofuran-2-acetate [2-carboxy-5-oxo-2,5-dihydrofuran-2-acetate;γ-carboxymuconolactone;4-carboxymuconolactone;5-Carboxy-2,5-dihydro-2-oxofuran-5-acetate;] C7H6O6 186.016438 NA metacyc NA NA +MetaCyc01629 3-carboxy-2,5-dihydro-5-oxofuran-2-acetate [3-carboxy-5-oxo-2,5-dihydrofuran-2-acetate;4-carboxy-2,5-dihydro-2-oxofuran-5-acetate;4-carboxymuconolactone;γ-carboxymuconolactone;] C7H6O6 186.016438 NA metacyc NA NA +MetaCyc01630 3-fumarylpyruvate [fumarylpyruvate;] C7H6O6 186.016438 NA metacyc NA NA +MetaCyc01631 2-hydroxy-4-carboxymuconate semialdehyde semiacetal [] C7H6O6 186.016438 NA metacyc NA NA +MetaCyc01632 3-carboxy-2-hydroxymuconate semialdehyde [] C7H6O6 186.016438 NA metacyc NA NA +MetaCyc01633 3-carboxy-cis,cis-muconate [cis,cis-butadiene-1,2,4-tricarboxylate;β-carboxy-cis,cis-muconate;] C7H6O6 186.016438 NA metacyc NA NA +MetaCyc01634 2-carboxy-cis,cis-muconate [] C7H6O6 186.016438 NA metacyc NA NA +MetaCyc01635 maleylpyruvate [Maleylpyruvic acid;3-Maleylpyruvate;] C7H6O6 186.016438 NA metacyc NA NA +MetaCyc01636 2-carboxymuconate [] C7H6O6 186.016438 NA metacyc NA NA +CJneg0288 Pentose [(M+Cl)]- C5H10ClO5 186.030025 C18rt(min)=0.95 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0288 Pentose [(M+Cl)]- C5H10ClO5 186.030025 C18rt(min)=0.95 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ005550 2H-Furo[2,3-h][1]benzopyran-2-one C11H6O3 186.031694 NA MeJP NA NA +MJ005551 Psoralen C11H6O3 186.031694 NA MeJP NA NA +MetaCyc01637 psoralen [phytoalexin;7H-Furo[3,2-g][1]benzopyran-7-one;6-hydroxy-5-benzofuranacrylic acid γ-lactone;ficusin;] C11H6O3 186.031694 NA metacyc NA NA +C09060 Angelicin C11H6O3 186.0317 NA KEGG NA NA +C09305 Psoralen C11H6O3 186.0317 NA KEGG NA NA +MJ005552 2-Chloro-5-methyl-1,3-benzenediol; Di-Me ether C9H11ClO2 186.044757 NA MeJP NA NA +MJ005553 4-(Chloromethyl)-1,2-benzenediol; Di-Me ether C9H11ClO2 186.044757 NA MeJP NA NA +MJ005554 4-Chloro-5-methyl-1,3-benzenediol; Di-Me ether C9H11ClO2 186.044757 NA MeJP NA NA +MJ005555 2-(1-Aminopropyl)-4-thiazolecarboxylic acid C7H10N2O2S 186.046298 NA MeJP NA NA +MJ005556 Carbimazole C7H10N2O2S 186.046298 NA MeJP NA NA +MJ005557 Mafenide C7H10N2O2S 186.046298 NA MeJP NA NA +C07106 Mafenide C7H10N2O2S 186.0463 NA KEGG NA NA +C07615 Carbimazole C7H10N2O2S 186.0463 NA KEGG NA NA +CJpos0467 Deoxyhexose [(M+Na)]+ C6H12NaO5 186.049875 C18rt(min)=0.91 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0467 Deoxyhexose [(M+Na)]+ C6H12NaO5 186.049875 C18rt(min)=0.91 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ005558 2-(3,5,7-Octatrien-1-ynyl)thiophene C12H10S 186.050321 NA MeJP NA NA +MJ005559 1-(3,4,5-Trihydroxyphenyl)-1,2-ethanediol C8H10O5 186.052823 NA MeJP NA NA +MJ005560 3,5-Dihydroxy-2-hydroxymethyl-4H-pyran-4-one; 1'-Et ether C8H10O5 186.052823 NA MeJP NA NA +MJ005561 3a,4,5,7a-Tetrahydro-4,5-dihydroxy-6-methyl-1,3-benzodioxol-2-one C8H10O5 186.052823 NA MeJP NA NA +MJ005562 4,5-Dihydroxy-5-hydroxymethyl-2-cyclopenten-1-one, 1'-Ac C8H10O5 186.052823 NA MeJP NA NA +MJ005563 4,5-Dihydroxy-5-hydroxymethyl-2-cyclopenten-1-one, 4-Ac C8H10O5 186.052823 NA MeJP NA NA +MJ005564 Erinapyrone C C8H10O5 186.052823 NA MeJP NA NA +MJ005565 Kjellmanianone C8H10O5 186.052823 NA MeJP NA NA +MJ005566 Oospolide C8H10O5 186.052823 NA MeJP NA NA +MJ005567 Riburonic acid; ?-D-Furanose-form, 1,5-Lactone, 2,3-O-isopropylidene C8H10O5 186.052823 NA MeJP NA NA +MJ005568 2-Amino-3-(3-hydroxy-5-methyl-4-isoxazolyl)propanoic acid C7H10N2O4 186.064056 NA MeJP NA NA +MJ005569 2-Amino-4-(2,5-dihydro-5-oxo-2-isoxazolyl)butanoic acid C7H10N2O4 186.064056 NA MeJP NA NA +MJ005570 ?-Amino-5-oxo-2(5H)-isoxazolebutanoic acid C7H10N2O4 186.064056 NA MeJP NA NA +C13672 (S)-AMPA C7H10N2O4 186.0641 NA KEGG NA NA +MJ005571 1-(2-Hydroxyphenyl)-2,4-hexadiyn-1-ol C12H10O2 186.068079 NA MeJP NA NA +MJ005572 1-Naphthaleneacetic acid C12H10O2 186.068079 NA MeJP NA NA +MJ005573 2,3-Dimethyl-1,4-naphthoquinone C12H10O2 186.068079 NA MeJP NA NA +MJ005574 2,7-Dimethyl-1,4-naphthoquinone C12H10O2 186.068079 NA MeJP NA NA +MJ005575 2-Decene-4,6,8-triyn-1-ol, Ac C12H10O2 186.068079 NA MeJP NA NA +MJ005576 3,8-Dimethyl-1,2-naphthoquinone C12H10O2 186.068079 NA MeJP NA NA +MJ005577 4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid; 1'-Aldehyde C12H10O2 186.068079 NA MeJP NA NA +MJ005578 4-Hydroxy-5,6-dodecadiene-8,10-diynoic acid, ?-Lactone C12H10O2 186.068079 NA MeJP NA NA +MJ005579 4-Methyl-1-azulenecarboxylic acid C12H10O2 186.068079 NA MeJP NA NA +MJ005580 Biphenyl-2,3-diol C12H10O2 186.068079 NA MeJP NA NA +MetaCyc01638 biphenyl-2, 3-diol [2, 3-dihydroxybiphenyl;biphenyl-2, 3-diol;3-phenylcatechol;] C12H10O2 186.06808 1133-63-7 metacyc NA NA +MetaCyc01639 (+-)-trans-acenaphthene-1,2-diol [trans-1,2-acenaphthylene glycol;] C12H10O2 186.06808 NA metacyc NA NA +C02526 Biphenyl-2,3-diol C12H10O2 186.0681 NA KEGG NA NA +C03209 2,2'-Dihydroxybiphenyl C12H10O2 186.0681 NA KEGG NA NA +C04167 (+/-)-trans-Acenaphthene-1,2-diol C12H10O2 186.0681 NA KEGG NA NA +C08448 Eutypine C12H10O2 186.0681 NA KEGG NA NA +C10310 Chimaphylin C12H10O2 186.0681 NA KEGG NA NA +C13014 1-Naphthylacetic acid C12H10O2 186.0681 NA KEGG NA NA +C13015 Transferred to D01559 C12H10O2 186.0681 NA KEGG NA NA +C14297 4,4'-Dihydroxybiphenyl C12H10O2 186.0681 NA KEGG NA NA +C10659 Deoxyvasicinone C11H10N2O 186.0793 NA KEGG NA NA +MJ005581 1-(3-Aminophenyl)-2(1H)-pyridinone C11H10N2O 186.079312 NA MeJP NA NA +MJ005582 1H-Indole-3-acetic acid; Nitrile, 1-methoxy C11H10N2O 186.079312 NA MeJP NA NA +MJ005583 2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-one C11H10N2O 186.079312 NA MeJP NA NA +MJ005584 2,3-Dihydropyrrolo[2,1-b]quinazolin-9(1H)-one C11H10N2O 186.079312 NA MeJP NA NA +MJ005585 3-(1H-Indol-3-yl)-2-propenoic acid, Amide C11H10N2O 186.079312 NA MeJP NA NA +MJ005586 4-Hydroxy-1H-indole-3-acetic acid; Me ether, nitrile C11H10N2O 186.079312 NA MeJP NA NA +MJ005587 1-Chloro-2,4-ochtodien-6-ol C10H15ClO 186.081142 NA MeJP NA NA +MJ005588 Desdamethine C8H14N2OS 186.082683 NA MeJP NA NA +8039 synthetic peptide PWA 186.084 MH2+ Inhouse_peptide NA peptide +CJpos0468 2-methylbutyroylcarnitine [(M+H)-C3H9N]+ C9H15O4 186.088675 C18rt(min)=5.55 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0469 Isovalerylcarnitine [(M+H)-C3H9N]+ C9H15O4 186.088675 C18rt(min)=5.65 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0468 2-methylbutyroylcarnitine [(M+H)-C3H9N]+ C9H15O4 186.088675 C18rt(min)=5.55 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0469 Isovalerylcarnitine [(M+H)-C3H9N]+ C9H15O4 186.088675 C18rt(min)=5.65 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +3177 dipeptidyl-aminopeptidase IV inhibitor AP 186.089 celiac toxic Inhouse_peptide NA peptide +3179 dipeptidyl-aminopeptidase IV inhibitor PA 186.089 celiac toxic Inhouse_peptide NA peptide +7584 ACE inhibitor AP 186.089 antioxidative Inhouse_peptide NA peptide +C14112 cis-2-Carboxycyclohexyl-acetic acid C9H14O4 186.0892 NA KEGG NA NA +MJ005589 1,2-Dimethyl-1,3-cyclopentanedicarboxylic acid C9H14O4 186.089208 NA MeJP NA NA +MJ005590 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid; 2,3,5,6-Tetrahydro, Me ester C9H14O4 186.089208 NA MeJP NA NA +MJ005591 5-Hydroxy-3-(1-hydroxy-2-methylpropyl)-4-methyl-2(5H)-furanone C9H14O4 186.089208 NA MeJP NA NA +MJ005592 Aspyrone; Deepoxy, 2'S-hydroxy C9H14O4 186.089208 NA MeJP NA NA +MJ005593 Cistanin C9H14O4 186.089208 NA MeJP NA NA +MJ005594 Eucommiol; 10-Deoxy, 1-carboxylic acid C9H14O4 186.089208 NA MeJP NA NA +MJ005595 Jioglutolide C9H14O4 186.089208 NA MeJP NA NA +MJ005596 2,6-Diamino-4-hexenoic acid, N2-Ac C8H14N2O3 186.100442 NA MeJP NA NA +MJ005597 4-Amino-2-piperidinecarboxylic acid, N-Ac C8H14N2O3 186.100442 NA MeJP NA NA +MJ005598 N-Ethoxycarbonylprolinamide C8H14N2O3 186.100442 NA MeJP NA NA +PJ000026 AP C8H14N2O3 186.1005 NA PeJP NA NA +MJ005599 2,2-Dimethyl-6-vinyl-2H-benzopyran C13H14O 186.104465 NA MeJP NA NA +MJ005600 2,8,10-Tridecatriene-4,6-diyn-1-ol C13H14O 186.104465 NA MeJP NA NA +MJ005601 2,8,10-Tridecatriene-4,6-diyne; 10,11-Epoxide C13H14O 186.104465 NA MeJP NA NA +MJ005602 2-Tridecene-4,6,8-triyn-1-ol C13H14O 186.104465 NA MeJP NA NA +MJ005603 3,5,11-Tridecatriene-7,9-diyn-1-ol C13H14O 186.104465 NA MeJP NA NA +MJ005604 3,5,7-Tridecatriene-9,11-diyn-1-ol C13H14O 186.104465 NA MeJP NA NA +MJ005605 4-Tridecene-7,9,11-triyn-1-ol C13H14O 186.104465 NA MeJP NA NA +MJ005606 8-Mercapto-p-menthan-3-one C10H18OS 186.107835 NA MeJP NA NA +MJ005607 Tetrahydrolathyrine C7H14N4O2 186.111675 NA MeJP NA NA +MJ005608 1,2,3,4-Tetrahydro-1-methyl-?-carboline C12H14N2 186.115698 NA MeJP NA NA +MJ005609 1,2,3,4-Tetrahydro-2-methyl-?-carboline C12H14N2 186.115698 NA MeJP NA NA +MJ005610 2,3,4,5-Tetrahydro[1,4]diazepino[1,2-a]indole C12H14N2 186.115698 NA MeJP NA NA +MJ005611 3,4,6,7,8,9-Hexahydrophenazine C12H14N2 186.115698 NA MeJP NA NA +MJ005612 4-[(2,6-Dimethylphenyl)methyl]-1H-imidazole C12H14N2 186.115698 NA MeJP NA NA +MJ005613 6,8,9,11-Tetrahydro-7H-pyrido[2,1-b]quinazoline C12H14N2 186.115698 NA MeJP NA NA +MJ005614 Altinicline C12H14N2 186.115698 NA MeJP NA NA +MJ005615 Detomidine C12H14N2 186.115698 NA MeJP NA NA +MJ005616 Efetozole C12H14N2 186.115698 NA MeJP NA NA +MJ005617 Newbouldine C12H14N2 186.115698 NA MeJP NA NA +C09089 Calligonine C12H14N2 186.1157 NA KEGG NA NA +C14701 Paraquat C12H14N2 186.1157 NA KEGG NA NA +MJ005618 1,4-Epoxy-p-menthane-2,3-diol C10H18O3 186.125594 NA MeJP NA NA +MJ005619 1,8-Epoxy-p-menthane-2,4-diol C10H18O3 186.125594 NA MeJP NA NA +MJ005620 1,8-Epoxy-p-menthane-2,5-diol C10H18O3 186.125594 NA MeJP NA NA +MJ005621 1,8-Epoxy-p-menthane-2,6-diol C10H18O3 186.125594 NA MeJP NA NA +MJ005622 1,8-Epoxy-p-menthane-2,7-diol C10H18O3 186.125594 NA MeJP NA NA +MJ005623 1,8-Epoxy-p-menthane-7,9-diol C10H18O3 186.125594 NA MeJP NA NA +MJ005624 10-Hydroxy-2-decenoic acid C10H18O3 186.125594 NA MeJP NA NA +MJ005625 10-Hydroxy-8-decenoic acid C10H18O3 186.125594 NA MeJP NA NA +MJ005626 2,3,10-Bornanetriol C10H18O3 186.125594 NA MeJP NA NA +MJ005627 2,6-Dimethyl-3,6-octadiene-1,2,8-triol C10H18O3 186.125594 NA MeJP NA NA +MJ005628 2,9,10-Bornanetriol C10H18O3 186.125594 NA MeJP NA NA +MJ005629 2-(1-Hydroxycyclohexyl)butanoic acid C10H18O3 186.125594 NA MeJP NA NA +MJ005630 3,7-Dimethyl-1,6-octadien-3-ol, 5,10-Dihydroxy C10H18O3 186.125594 NA MeJP NA NA +MJ005631 3,7-Dimethyl-1,6-octadiene-3,4,5-triol C10H18O3 186.125594 NA MeJP NA NA +MJ005632 3,7-Dimethyl-2,5-octadiene-1,7-diol, 7-Hydroperoxide C10H18O3 186.125594 NA MeJP NA NA +MJ005633 3-Cyclohexyl-3-hydroxybutanoic acid C10H18O3 186.125594 NA MeJP NA NA +MJ005634 3-Hydroxy-2-methylenebutanoic acid, 2-Methylbutyl ester C10H18O3 186.125594 NA MeJP NA NA +MJ005635 3-Hydroxy-2-methylenebutanoic acid, 3-Methylbutyl ester C10H18O3 186.125594 NA MeJP NA NA +MJ005636 3-Hydroxy-5-octenoic acid, Et ester C10H18O3 186.125594 NA MeJP NA NA +MJ005637 3-Hydroxymethyl-7-methyl-2,7-octadiene-1,6-diol C10H18O3 186.125594 NA MeJP NA NA +MJ005638 4,5-Dihydroxy-2-decenal C10H18O3 186.125594 NA MeJP NA NA +MJ005639 4-Decyne-1,3,6-triol C10H18O3 186.125594 NA MeJP NA NA +MJ005640 4-Ethenyltetrahydro-3-hydroxy-2,5,5-trimethyl-2-furanmethanol C10H18O3 186.125594 NA MeJP NA NA +MJ005641 4-Peroxyachipendole C10H18O3 186.125594 NA MeJP NA NA +MJ005642 5-Octene-1,3-diol, 1-Ac C10H18O3 186.125594 NA MeJP NA NA +MJ005643 6,8-Decadiene-1,3,5-triol C10H18O3 186.125594 NA MeJP NA NA +MJ005644 6-Methyl-2-methylene-6-octene-1,3,8-triol C10H18O3 186.125594 NA MeJP NA NA +MJ005645 6-Methyl-2-methylene-7-octene-1,3,6-triol C10H18O3 186.125594 NA MeJP NA NA +MJ005646 8-Hydroxy-2,6-dimethyl-2-octenoic acid C10H18O3 186.125594 NA MeJP NA NA +MJ005647 9-Hydroxy-2-decenoic acid C10H18O3 186.125594 NA MeJP NA NA +MJ005648 Dihydro-4-hydroxy-5-methyl-3-(2-methylbutyl)-2(3H)-furanone C10H18O3 186.125594 NA MeJP NA NA +MJ005649 Dihydro-4-hydroxy-5-methyl-3-(3-methylbutyl)-2(3H)-furanone C10H18O3 186.125594 NA MeJP NA NA +MJ005650 Dihydro-5-(1-hydroxyhexyl)-2(3H)-furanone C10H18O3 186.125594 NA MeJP NA NA +MJ005651 Dihydro-5-(4-hydroxy-4-methylpentyl)-2(3H)-furanone C10H18O3 186.125594 NA MeJP NA NA +MJ005652 Diplodialide B; 5,6-Dihydro C10H18O3 186.125594 NA MeJP NA NA +MJ005653 Tetrahydro-4-hydroxy-6-pentyl-2H-pyran-2-one C10H18O3 186.125594 NA MeJP NA NA +MJ005654 p-Menth-1-ene-3,6-diol, 1?,2?-Epoxide C10H18O3 186.125594 NA MeJP NA NA +MJ005655 p-Menth-2-ene-1,4,8-triol C10H18O3 186.125594 NA MeJP NA NA +MetaCyc01640 10-oxodecanoate [10-oxodecanoic acid;9-Formylnonanoic acid;] C10H18O3 186.125594 NA metacyc NA NA +HMDB10724 3-Oxodecanoic acid C10H18O3 186.125595 NA HMDB2010 NA NA +C02217 10-Oxodecanoate C10H18O3 186.1256 NA KEGG NA NA +C11404 (3R)-6-Hydroxy-3-isopropenyl-heptanoate C10H18O3 186.1256 NA KEGG NA NA +C11406 (5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate C10H18O3 186.1256 NA KEGG NA NA +C11417 (3S)-6-Hydroxy-3-isopropenyl-heptanoate C10H18O3 186.1256 NA KEGG NA NA +C11420 (5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate C10H18O3 186.1256 NA KEGG NA NA +C13945 2-Oxodecanoic acid C10H18O3 186.1256 NA KEGG NA NA +C17620 Epomediol C10H18O3 186.1256 NA KEGG NA NA +3361 ACE inhibitor from sardine LKL 186.131 MH2+ Inhouse_peptide NA peptide +8107 peptide derived from dried bonito IKL 186.131 MH2+ Inhouse_peptide NA peptide +MJ005656 Capuride C9H18N2O2 186.136827 NA MeJP NA NA +MJ005657 1,4-Dimethyl-7-ethylazulene; 3,6-Dihydro C14H18 186.14085 NA MeJP NA NA +MJ005658 1,4-Dimethyl-7-ethylazulene; 5,6-Dihydro C14H18 186.14085 NA MeJP NA NA +MJ005659 6,13-Tetradecadiene-1,3-diyne C14H18 186.14085 NA MeJP NA NA +C02581 Propanoylagmatine C8H18N4O 186.1481 NA KEGG NA NA +C02582 Protein disulfide C7H9N3O3S2R2 186.1481 NA KEGG NA NA +C02583 Protein glutamine C6H9N3O3R2 186.1481 NA KEGG NA NA +MJ005660 1,5-Diguanidinopentane C7H18N6 186.159294 NA MeJP NA NA +MJ005661 1-Octanol; Propanoyl C11H22O2 186.161979 NA MeJP NA NA +MJ005662 2,4,6-Trimethyloctanoic acid C11H22O2 186.161979 NA MeJP NA NA +MJ005663 2,4-Dimethylnonanoic acid C11H22O2 186.161979 NA MeJP NA NA +MJ005664 3,4-Epoxy-5-isopropyl-2-methyl-2-heptanol C11H22O2 186.161979 NA MeJP NA NA +MJ005665 4-Methyloctanoic acid, Et ester C11H22O2 186.161979 NA MeJP NA NA +MJ005666 7-Hydroxy-4,6-dimethyl-3-nonanone C11H22O2 186.161979 NA MeJP NA NA +MJ005667 8-Methyldecanoic acid C11H22O2 186.161979 NA MeJP NA NA +MJ005668 9-Methyldecanoic acid C11H22O2 186.161979 NA MeJP NA NA +MJ005669 Decanoic acid; Me ester C11H22O2 186.161979 NA MeJP NA NA +MJ005670 Octanoic acid; Isopropyl ester C11H22O2 186.161979 NA MeJP NA NA +MJ005671 Undecanoic acid C11H22O2 186.161979 NA MeJP NA NA +HMDB00947 Undecanoic acid C11H22O2 186.161987 NA HMDB2010 NA NA +HMDB02373 4,6-Dimethylnonanoic acid C11H22O2 186.161987 NA HMDB2010 NA NA +HMDB00947 Undecanoic acid C11H22O2 186.16199 http://www.hmdb.ca/metabolites/HMDB00947 HMDB NA NA +HMDB02373 4,6-Dimethylnonanoic acid C11H22O2 186.16199 http://www.hmdb.ca/metabolites/HMDB02373 HMDB NA NA +HMDB00947 Undecanoic acid C11H22O2 186.16199 HMDB00947 PFEM_hmdb_metabocards_official NA NA +HMDB02373 4,6-Dimethylnonanoic acid C11H22O2 186.16199 HMDB02373 PFEM_hmdb_metabocards_official NA NA +C17715 Undecanoic acid C11H22O2 186.162 NA KEGG NA NA +HMDB11626 Dodecanol C12H26O 186.198364 NA HMDB2010 NA NA +MJ005672 1-Dodecanol C12H26O 186.198365 NA MeJP NA NA +MJ005673 2-Butyl-1-octanol C12H26O 186.198365 NA MeJP NA NA +MJ005674 2-Dodecanol C12H26O 186.198365 NA MeJP NA NA +C02277 1-Dodecanol C12H26O 186.1984 NA KEGG NA NA +7654 ACE inhibitor from wakame NKL 186.61045 MH2+ Inhouse_peptide NA peptide +MJ005675 2-Amino-5-nitrothiazole; N-Ac C5H5N3O3S 187.005161 NA MeJP NA NA +JH141 Xanthurenic acid [M+H-H20]+ NA 187.0264 12.46 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH141 Xanthurenic acid [M+H-H20]+ NA 187.0264 12.46 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH141 Xanthurenic acid [M+H-H20]+ NA 187.0264 12.46 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH141 Xanthurenic acid [M+H-H20]+ NA 187.0264 12.46 Inhousejuil11 NA NA +MJ005676 N-(2-Sulfoethyl)pyridinium betaine C7H9NO3S 187.030313 NA MeJP NA NA +MJ005677 2-(Acetamidomethylene)succinate C7H9NO5 187.048072 NA MeJP NA NA +MJ005678 1-Aminocyclopropanecarboxylic acid; N-Malonyl C7H9NO5 187.048072 NA MeJP NA NA +MJ005679 4-Amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid C7H9NO5 187.048072 NA MeJP NA NA +MJ005680 Fumarylalanine C7H9NO5 187.048072 NA MeJP NA NA +MetaCyc01641 2-(acetamidomethylene)succinate [] C7H9N1O5 187.048072 NA metacyc NA NA +C01215 2-(Acetamidomethylene)succinate C7H9NO5 187.0481 NA KEGG NA NA +EUR361 Tryptophan F2 F2 187.056475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR361 Tryptophan F2 NA 187.056475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR361 Tryptophan F2 F2 187.056475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR361 Tryptophan F2 NA 187.056475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR361 Tryptophan F2 F2 187.056475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR361 Tryptophan F2 NA 187.056475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR361 Tryptophan F2 F2 187.056475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR361 Tryptophan F2 F2 187.056475 standards wishlist analysés sur QTOF HMDB NA NA +EUR361 Tryptophan F2 F2 187.056475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR361 Tryptophan F2 NA 187.056475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR361 Tryptophan F2 F2 187.056475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR361 Tryptophan F2 F2 187.056475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ005681 Enteromycin, Amide C6H9N3O4 187.059305 NA MeJP NA NA +MetaCyc01642 deethylatrazine [CIAT;2-chloro-4-amino-6-isopropylamino-s-triazine;6-chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine;] C6H10N5CL1 187.062473 NA metacyc NA NA +C06559 Deethylatrazine C6H10ClN5 187.0625 NA KEGG NA NA +CJpos0470 Tryptophan isomer [(M+H)-(NH3)]+ C11H10NO2 187.062775 C18rt(min)=5.26 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0470 Tryptophan isomer [(M+H)-(NH3)]+ C11H10NO2 187.062775 C18rt(min)=5.26 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +JH138 Tryptophan [M+H-NH3]+ NA 187.0628 7.04 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH138 Tryptophan [M+H-NH3]+ NA 187.0628 7.04 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH138 Tryptophan [M+H-NH3]+ NA 187.0628 7.04 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH138 Tryptophan [M+H-NH3]+ NA 187.0628 7.04 Inhousejuil11 NA NA +HMDB00734 Indoleacrylic acid C11H9NO2 187.06332 http://www.hmdb.ca/metabolites/HMDB00734 HMDB NA NA +HMDB00734 Indoleacrylic acid C11H9NO2 187.06332 HMDB00734 PFEM_hmdb_metabocards_official NA NA +HMDB00734 Indoleacrylic acid C11H9NO2 187.063324 NA HMDB2010 NA NA +MJ005682 2-Quinolinecarboxylic acid; N-Me, zwitterion C11H9NO2 187.063328 NA MeJP NA NA +MJ005683 3-(1H-Indol-3-yl)-2-propenoic acid C11H9NO2 187.063328 NA MeJP NA NA +MJ005684 N-(2,5-Dihydroxyphenyl)pyridinium(1+) C11H10NO2(+) 187.063328 NA MeJP NA NA +MJ005685 4-Methyl-2-quinazolinecarboxylic acid; Amide C10H9N3O 187.074561 NA MeJP NA NA +MJ005686 Amrinone C10H9N3O 187.074561 NA MeJP NA NA +HMDB12150 2-Keto-6-acetamidocaproate C8H13NO4 187.084457 NA HMDB2010 NA NA +MJ005687 2-Amino-4-propylidenepentanedioic acid C8H13NO4 187.084457 NA MeJP NA NA +MJ005688 3-Aminodihydro-2(3H)-furanone, N-(3?-Hydroxybutanoyl) C8H13NO4 187.084457 NA MeJP NA NA +MetaCyc01643 N2-acetyl-α-aminoadipate semialdehyde [] C8H13N1O4 187.084458 NA metacyc NA NA +MetaCyc01644 3-oxo-6-acetamidohexanoate [6-acetamido-3-oxohexanoate;] C8H13N1O4 187.084458 NA metacyc NA NA +MetaCyc01645 2-keto-6-acetamidocaproate [2-keto-6-acetamidohexanoate;6-acetamido-2-oxohexanoate;2-oxo-6-acetamidocaproate;] C8H13N1O4 187.084458 NA metacyc NA NA +C03682 6-Acetamido-3-oxohexanoate C8H13NO4 187.0845 NA KEGG NA NA +C05548 6-Acetamido-2-oxohexanoate C8H13NO4 187.0845 NA KEGG NA NA +C11842 N-(3-(S)-Hydroxybutyryl)homoserine lactone C8H13NO4 187.0845 NA KEGG NA NA +C12988 N2-Acetyl-L-aminoadipate semialdehyde C8H13NO4 187.0845 NA KEGG NA NA +8009 synthetic peptide LWG 187.092 MH2+ Inhouse_peptide NA peptide +MJ005689 4-Hydroxy-2-propylquinoline C12H13NO 187.099714 NA MeJP NA NA +MJ005690 Nafomine C12H13NO 187.099714 NA MeJP NA NA +C11086 Molinate C9H17NOS 187.1031 NA KEGG NA NA +MJ005691 Imafen C11H13N3 187.110947 NA MeJP NA NA +C07939 Amantadine hydrochloride C10H17N 187.1128 NA KEGG NA NA +C07940 Transferred to D00778 C10H17N 187.1128 NA KEGG NA NA +C01092 8-Amino-7-oxononanoate C9H17NO3 187.1208 NA KEGG NA NA +C12029 (E)-2-Butenyl-4-methyl-threonine C9H17NO3 187.1208 NA KEGG NA NA +C12030 Mycosubtilin C37H51N12O14R 187.1208 NA KEGG NA NA +MJ005692 8-Amino-7-oxononanoate C9H17NO3 187.120843 NA MeJP NA NA +MJ005693 4-Aminobutanoic acid; N-(2,2-Dimethylpropanoyl) C9H17NO3 187.120843 NA MeJP NA NA +MJ005694 8-Amino-7-oxononanoic acid C9H17NO3 187.120843 NA MeJP NA NA +MetaCyc01646 8-amino-7-oxononanoate [7-keto-8-aminopelargonate;KAPA;7-KAP;] C9H17N1O3 187.120843 NA metacyc NA NA +MJ005695 N6-(Iminoethyl)lysine C8H17N3O2 187.132076 NA MeJP NA NA +MJ005696 1,2,3,4,5,6-Hexahydro-1,6-methano-3-benzazocine, 3-Me C13H17N 187.136099 NA MeJP NA NA +MJ005697 Selegiline C13H17N 187.136099 NA MeJP NA NA +C04469 (+/-)-2-(4'-Isobutylphenyl)propionitrile C13H17N 187.1361 NA KEGG NA NA +C07245 Selegiline C13H17N 187.1361 NA KEGG NA NA +C12889 n-Decanohydroxamic acid C10H21NO2 187.1572 NA KEGG NA NA +C12890 Transferred to D01444 C10H21NO2 187.1572 NA KEGG NA NA +CJpos0471 N1-acetylspermidine [(M+H)]+ C9H22N3O 187.167875 C18rt(min)=0.86 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0471 N1-acetylspermidine [(M+H)]+ C9H22N3O 187.167875 C18rt(min)=0.86 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB01276 N1-Acetylspermidine C9H21N3O 187.168457 NA HMDB2010 NA NA +HMDB02189 N8-Acetylspermidine C9H21N3O 187.168457 NA HMDB2010 NA NA +HMDB01276 N1-Acetylspermidine C9H21N3O 187.16846 http://www.hmdb.ca/metabolites/HMDB01276 PFEM_hmdb_metabocards_urine NA urine +HMDB02189 N8-Acetylspermidine C9H21N3O 187.16846 http://www.hmdb.ca/metabolites/HMDB02189 PFEM_hmdb_metabocards_urine NA urine +HMDB01276 N1-Acetylspermidine C9H21N3O 187.16846 http://www.hmdb.ca/metabolites/HMDB01276 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02189 N8-Acetylspermidine C9H21N3O 187.16846 http://www.hmdb.ca/metabolites/HMDB02189 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01276 N1-Acetylspermidine C9H21N3O 187.16846 http://www.hmdb.ca/metabolites/HMDB01276 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02189 N8-Acetylspermidine C9H21N3O 187.16846 http://www.hmdb.ca/metabolites/HMDB02189 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01276 N1-Acetylspermidine C9H21N3O 187.16846 http://www.hmdb.ca/metabolites/HMDB01276 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02189 N8-Acetylspermidine C9H21N3O 187.16846 http://www.hmdb.ca/metabolites/HMDB02189 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01276 N1-Acetylspermidine C9H21N3O 187.16846 http://www.hmdb.ca/metabolites/HMDB01276 HMDB NA NA +HMDB02189 N8-Acetylspermidine C9H21N3O 187.16846 http://www.hmdb.ca/metabolites/HMDB02189 HMDB NA NA +HMDB01276 N1-Acetylspermidine C9H21N3O 187.16846 http://www.hmdb.ca/metabolites/HMDB01276 PFEM_hmdb_metabocards_blood NA blood +HMDB02189 N8-Acetylspermidine C9H21N3O 187.16846 http://www.hmdb.ca/metabolites/HMDB02189 PFEM_hmdb_metabocards_blood NA blood +HMDB01276 N1-Acetylspermidine C9H21N3O 187.16846 HMDB01276 PFEM_hmdb_metabocards_official NA NA +HMDB02189 N8-Acetylspermidine C9H21N3O 187.16846 HMDB02189 PFEM_hmdb_metabocards_official NA NA +MetaCyc01647 an N-acetylspermidine [] C9H21N3O1 187.168462 NA metacyc NA NA +MetaCyc01648 N1-acetylspermidine [] C9H21N3O1 187.168462 34450-16-3 metacyc NA NA +MetaCyc01649 N8-acetylspermidine [N-[4-(3-aminopropylamino)butyl]acetamide;] C9H21N3O1 187.168462 34450-15-2 metacyc NA NA +C00612 N1-Acetylspermidine C9H21N3O 187.1685 NA KEGG NA NA +C00613 Protein-L-arginine C7H13N5O2R2 187.1685 NA KEGG NA NA +C00614 Protein glutamate C6H8N2O4R2 187.1685 NA KEGG NA NA +C00615 Protein histidine C7H8N4O2R2 187.1685 NA KEGG NA NA +C01029 N8-Acetylspermidine C9H21N3O 187.1685 NA KEGG NA NA +3372 ACE inhibitor from b-CN (179-181) PYP 187.5835 MH2+ Inhouse_peptide NA peptide +MJ005698 1,2,3,5,6-Pentathiepane C2H4S5 187.891653 NA MeJP NA NA +C08382 Lenthionine C2H4S5 187.8917 NA KEGG NA NA +MJ005699 2-Bromo-1,4-benzenediol C6H5BrO2 187.947292 NA MeJP NA NA +MetaCyc01650 4-bromoresorcinol [2-bromobenzene-1,5-diol;1,3-benzenediol, 4-bromo-;] C6H5O2BR1 187.947292 NA metacyc NA NA +C14843 4-Bromocatechol C6H5BrO2 187.9473 NA KEGG NA NA +C14845 4-Bromophenol-2,3-epoxide C6H5BrO2 187.9473 NA KEGG NA NA +MJ005700 4-Bromo-1H-pyrrole-2-carboxylic acid; Amide C5H5BrN2O 187.958525 NA MeJP NA NA +MJ005701 5-Bromo-1H-pyrrole-2-carboxylic acid; Amide C5H5BrN2O 187.958525 NA MeJP NA NA +MJ005702 2,3-Dimercapto-1-propanesulfonic acid C3H8O3S3 187.963556 NA MeJP NA NA +C10922 2,3-Dimercaptopropane-1-sulfonic acid C3H8O3S3 187.9636 NA KEGG NA NA +MJ005703 Octafluoropropane C3F8 187.987225 NA MeJP NA NA +MJ005704 2-Chloro-3,6-dihydroxy-5-methyl-1,4-benzoquinone C7H5ClO4 187.987636 NA MeJP NA NA +MJ005705 2-Decene-4,6,8-triynedioic acid C10H4O4 188.010958 NA MeJP NA NA +C06678 4-Sulfobenzyl alcohol C7H8O4S 188.0143 NA KEGG NA NA +MJ005706 4-Sulfobenzyl alcohol C7H8O4S 188.014329 NA MeJP NA NA +MetaCyc01651 4-sulfobenzyl alcohol [p-sulfobenzyl alcohol;4-sulphobenzyl alcohol;] C7H8O4S1 188.014329 NA metacyc NA NA +MetaCyc01652 4-(hydroxymethyl)benzenesulfonate [4-Sulfobenzyl alcohol;] C7H8O4S1 188.014329 NA metacyc NA NA +C15663 CMN 131 C7H8N2S 188.0175 NA KEGG NA NA +MJ005707 3-Chloro-6-methyl-1,2,4-benzenetriol; 2-Me ether C8H9ClO3 188.024021 NA MeJP NA NA +MJ005708 Fluoresone C8H9FO2S 188.030728 NA MeJP NA NA +MJ005709 2-Butene-1,2,4-tricarboxylic acid C7H8O6 188.032087 NA MeJP NA NA +MJ005710 But-1-ene-1,2,4-tricarboxylate C7H8O6 188.032088 NA MeJP NA NA +MetaCyc01653 (E)-3-(methoxycarbonyl)pent-2-enedioate [E-3-carboxy-2-pentenedioate 6-methyl ester;monomethyl-ester-of-trans-aconitate;] C7H8O6 188.032088 NA metacyc NA NA +MetaCyc01654 cis-homoaconitate [but-1-ene-1,2,4-tricarboxylate;homo-cis-aconitate;(Z)-1,2,4-but-1-enetricarboxylic acid;] C7H8O6 188.032088 NA metacyc NA NA +MetaCyc01655 (E)-2-(methoxycarbonylmethyl)butenedioate [] C7H8O6 188.032088 NA metacyc NA NA +MetaCyc01656 α,ε-diketopimelate [] C7H8O6 188.032088 NA metacyc NA NA +MetaCyc01657 trans-homoaconitate [homo-trans-aconitate;(E)-1,2,4-but-1-enetricarboxylic acid;] C7H8O6 188.032088 NA metacyc NA NA +MetaCyc01658 2-methyl-cis-aconitate [cis-2-Methylaconitate;(Z)-But-2-ene-1,2,3-tricarboxylate;2-methylaconitate;] C7H8O6 188.032088 99-98-9 metacyc NA NA +MetaCyc01659 3-carboxyhex-2-enedioate [3-carboxyhex-2-enedioate;But-1-ene-1,2,4-tricarboxylate;] C7H8O6 188.032088 NA metacyc NA NA +HMDB06357 cis-2-Methylaconitate C7H8O6 188.032089 NA HMDB2010 NA NA +HMDB06357 cis-2-Methylaconitate C7H8O6 188.03209 http://www.hmdb.ca/metabolites/HMDB06357 HMDB NA NA +HMDB06357 cis-2-Methylaconitate C7H8O6 188.03209 HMDB06357 PFEM_hmdb_metabocards_official NA NA +C04002 (Z)-But-1-ene-1,2,4-tricarboxylate C7H8O6 188.0321 NA KEGG NA NA +C04225 (Z)-But-2-ene-1,2,3-tricarboxylate C7H8O6 188.0321 NA KEGG NA NA +C11514 (E)-3-(Methoxycarbonyl)pent-2-enedioate C7H8O6 188.0321 NA KEGG NA NA +C11515 (E)-2-(Methoxycarbonylmethyl)butenedioate C7H8O6 188.0321 NA KEGG NA NA +C16579 trans-Homoaconitate C7H8O6 188.0321 NA KEGG NA NA +C16581 D-threo-Aldono-1,5-lactone C5H7O5R 188.0321 NA KEGG NA NA +MJ005711 4-Chlorobiphenyl C12H9Cl 188.039278 NA MeJP NA NA +C06584 4-Chlorobiphenyl C12H9Cl 188.0393 NA KEGG NA NA +C14353 2-Chlorobiphenyl C12H9Cl 188.0393 NA KEGG NA NA +MJ005712 Enteromycin C6H8N2O5 188.043321 NA MeJP NA NA +C03203 1-Hydroxy-2-naphthoate C11H8O3 188.0473 NA KEGG NA NA +C10387 Plumbagin C11H8O3 188.0473 NA KEGG NA NA +C10398 Ramentaceone C11H8O3 188.0473 NA KEGG NA NA +C16212 3-Hydroxy-2-naphthoate C11H8O3 188.0473 NA KEGG NA NA +MJ005713 10-Hydroxy-8-decene-2,4,6-triynoic acid, Me ester C11H8O3 188.047344 NA MeJP NA NA +MJ005714 2-(4-Methyl-2-furanyl)-1,4-benzoquinone C11H8O3 188.047344 NA MeJP NA NA +MJ005715 2-Benzoyl-3-hydroxyfuran C11H8O3 188.047344 NA MeJP NA NA +MJ005716 2-Hydroxy-1,4-naphthoquinone; Me ether C11H8O3 188.047344 NA MeJP NA NA +MJ005717 2-Hydroxy-3-methyl-1,4-naphthoquinone C11H8O3 188.047344 NA MeJP NA NA +MJ005718 5-Hydroxy-2-methyl-1,4-naphthoquinone C11H8O3 188.047344 NA MeJP NA NA +MJ005719 5-Hydroxy-7-methyl-1,4-naphthoquinone C11H8O3 188.047344 NA MeJP NA NA +MJ005720 8-Hydroxy-2-methyl-1,4-naphthoquinone C11H8O3 188.047344 NA MeJP NA NA +MetaCyc01660 1-hydroxy-2-naphthoate [] C11H8O3 188.047344 NA metacyc NA NA +MetaCyc01661 plumbagine [plumbagin;] C11H8O3 188.047344 NA metacyc NA NA +MJ005721 2,3-Dihydro-4-hydroxy-2-oxo-1H-indole-3-acetic acid; Nitrile C10H8N2O2 188.058577 NA MeJP NA NA +MJ005722 2-Acetyl-4(3H)-quinazolinone C10H8N2O2 188.058577 NA MeJP NA NA +MJ005723 3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one C10H8N2O2 188.058577 NA MeJP NA NA +MJ005724 4-Methyl-2-quinazolinecarboxylic acid C10H8N2O2 188.058577 NA MeJP NA NA +MJ005725 8-Hydroxy-4-quinolinecarboxaldehyde; Oxime C10H8N2O2 188.058577 NA MeJP NA NA +MJ005726 Damirone A; N1,N5-Di-de-Me C10H8N2O2 188.058577 NA MeJP NA NA +MJ005727 1-(Methylthio)-5-phenyl-1-penten-3-yne C12H12S 188.065971 NA MeJP NA NA +CJpos0472 Tryptophan isomer [(M+H)-(NH3)]+ (13C) C1013CH10NO2 188.066175 C18rt(min)=5.26 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0472 Tryptophan isomer [(M+H)-(NH3)]+ (13C) C1013CH10NO2 188.066175 C18rt(min)=5.26 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ005728 3,5-Dihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one C8H12O5 188.068473 NA MeJP NA NA +MJ005729 Monocrotalic acid C8H12O5 188.068473 NA MeJP NA NA +MJ005730 Penicillic acid; 5,6-Dihydro, 6-hydroxy C8H12O5 188.068473 NA MeJP NA NA +MJ005731 Tetrahydro-2,5-furandiacetic acid C8H12O5 188.068473 NA MeJP NA NA +MetaCyc01662 α-ketosuberate [2-oxooctanedionic acid;] C8H12O5 188.068473 NA metacyc NA NA +C16589 2-Oxosuberate C8H12O5 188.0685 NA KEGG NA NA +JH107 N-acetyl-L-glutamine [M+H]+ C7H12N2O4 188.0795 Rtobs1.64 PFEM_hmdb_metabocards_urine NA urine +JH107 N-acetyl-L-glutamine [M+H]+ C7H12N2O4 188.0795 1.64 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH107 N-acetyl-L-glutamine [M+H]+ C7H12N2O4 188.0795 Rtobs1.64 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH107 N-acetyl-L-glutamine [M+H]+ C7H12N2O4 188.0795 1.64 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH107 N-acetyl-L-glutamine [M+H]+ C7H12N2O4 188.0795 Rtobs1.64 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH107 N-acetyl-L-glutamine [M+H]+ C7H12N2O4 188.0795 1.64 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH107 N-acetyl-L-glutamine [M+H]+ C7H12N2O4 188.0795 Rtobs1.64 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH107 N-acetyl-L-glutamine [M+H]+ C7H12N2O4 188.0795 Rtobs1.64 HMDB NA NA +JH107 N-acetyl-L-glutamine [M+H]+ C7H12N2O4 188.0795 Rtobs1.64 Inhouse_PFEM NA NA +JH107 N-acetyl-L-glutamine [M+H]+ C7H12N2O4 188.0795 1.64 Inhousejuil11 NA NA +JH107 N-acetyl-L-glutamine [M+H]+ C7H12N2O4 188.0795 Rtobs1.64 PFEM_hmdb_metabocards_blood NA blood +JH107 N-acetyl-L-glutamine [M+H]+ C7H12N2O4 188.0795 Rtobs1.64 PFEM_hmdb_metabocards_official NA NA +MJ005732 ?-Amino-3-hydroxy-2-oxo-3-azetidinebutanoic acid C7H12N2O4 188.079706 NA MeJP NA NA +MJ005733 Aceglutamide C7H12N2O4 188.079706 NA MeJP NA NA +HMDB06029 N-Acetylglutamine C7H12N2O4 188.07971 http://www.hmdb.ca/metabolites/HMDB06029 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06029 N-Acetylglutamine C7H12N2O4 188.07971 http://www.hmdb.ca/metabolites/HMDB06029 HMDB NA NA +HMDB06029 N-Acetylglutamine C7H12N2O4 188.07971 http://www.hmdb.ca/metabolites/HMDB06029 PFEM_hmdb_metabocards_blood NA blood +HMDB06029 N-Acetylglutamine C7H12N2O4 188.07971 HMDB06029 PFEM_hmdb_metabocards_official NA NA +HMDB06029 N-Acetylglutamine C7H12N2O4 188.079712 NA HMDB2010 NA NA +HMDB11173 L-glycyl-L-hydroxyproline C7H12N2O4 188.079712 NA HMDB2010 NA NA +C06589 cis-2,3-Dihydro-2,3-dihydroxybiphenyl C12H12O2 188.0837 NA KEGG NA NA +C06592 NDP-N-methyl-L-glucosamine C12H24NO14P2R 188.0837 NA KEGG NA NA +C16924 Butylidenephthalide C12H12O2 188.0837 NA KEGG NA NA +MJ005734 cis-2,3-Dihydro-2,3-dihydroxybiphenyl C12H12O2 188.083729 NA MeJP NA NA +MJ005735 1,8-Decadiene-3,6-diyn-5-ol, Ac C12H12O2 188.083729 NA MeJP NA NA +MJ005736 1,8-Naphthalenediol; Di-Me ether C12H12O2 188.083729 NA MeJP NA NA +MJ005737 2,2-Dimethyl-5-phenyl-3(2H)-furanone C12H12O2 188.083729 NA MeJP NA NA +MJ005738 2,8-Decadiene-4,6-diyn-1-ol, Ac C12H12O2 188.083729 NA MeJP NA NA +MJ005739 2-Isopropyl-4H-1-benzopyran-4-one C12H12O2 188.083729 NA MeJP NA NA +MJ005740 2-Methylene-3-buten-1-ol; Benzoyl C12H12O2 188.083729 NA MeJP NA NA +MJ005741 3,4,7-Trimethyl-2H-1-benzopyran-2-one C12H12O2 188.083729 NA MeJP NA NA +MJ005742 3-(2-Methylpropylidene)-1(3H)-isobenzofuranone C12H12O2 188.083729 NA MeJP NA NA +MJ005743 3-Butylidene-1(3H)-isobenzofuranone C12H12O2 188.083729 NA MeJP NA NA +MJ005744 3-Methyl-1,8-naphthalenediol; 8-Me ether C12H12O2 188.083729 NA MeJP NA NA +MJ005745 3-Propyl-1H-2-benzopyran-1-one C12H12O2 188.083729 NA MeJP NA NA +MJ005746 4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid; 1'-Alcohol C12H12O2 188.083729 NA MeJP NA NA +MJ005747 Fomannoxin C12H12O2 188.083729 NA MeJP NA NA +MetaCyc01663 cis-3-phenylcyclohexa-3,5-diene-1,2-diol [cis-2,3-dihydro-2,3-dihydroxybiphenyl;] C12H12O2 188.08373 NA metacyc NA NA +MetaCyc01664 (1S,2R)-3-phenylcyclohexa-3,5-diene-1,2-diol [] C12H12O2 188.08373 NA metacyc NA NA +MJ005748 Glutamine, N2-Carbamoyl, amide C6H12N4O3 188.09094 NA MeJP NA NA +MJ005749 Gongrine C6H12N4O3 188.09094 NA MeJP NA NA +MJ005750 Streptolidine C6H12N4O3 188.09094 NA MeJP NA NA +MJ005751 1,2,3,4-Tetrahydro-6-hydroxy-?-carboline C11H12N2O 188.094963 NA MeJP NA NA +MJ005752 1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazoline; 1-Hydroxy C11H12N2O 188.094963 NA MeJP NA NA +MJ005753 1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazoline; N-Oxide C11H12N2O 188.094963 NA MeJP NA NA +MJ005754 1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one C11H12N2O 188.094963 NA MeJP NA NA +MJ005755 2,3-Dihydropyrrolo[2,1-b]quinazolin-9(1H)-one; 9-Alcohol C11H12N2O 188.094963 NA MeJP NA NA +MJ005756 2-Ethyl-1-methyl-4(1H)-quinazolinone C11H12N2O 188.094963 NA MeJP NA NA +MJ005757 5-(4-Aminophenyl)-2,4-pentadienoic acid; Amide C11H12N2O 188.094963 NA MeJP NA NA +MJ005758 Cytisine, 11,12-Didehydro C11H12N2O 188.094963 NA MeJP NA NA +MJ005759 Cytisine, 12,13-Didehydro C11H12N2O 188.094963 NA MeJP NA NA +MJ005760 Peganine C11H12N2O 188.094963 NA MeJP NA NA +C10733 Peganine C11H12N2O 188.095 NA KEGG NA NA +MJ005761 1,4-Butanediamine; N-[3-(Methylthio)-2-propenoyl](E-) C8H16N2OS 188.098333 NA MeJP NA NA +HMDB00784 Azelaic acid C9H16O4 188.104858 NA HMDB2010 NA NA +HMDB11717 Nonate C9H16O4 188.104858 NA HMDB2010 NA NA +MJ005762 2-Butyl-3-methylbutanedioic acid C9H16O4 188.104859 NA MeJP NA NA +MJ005763 Aspinonene C9H16O4 188.104859 NA MeJP NA NA +MJ005764 Cerberidol; 5?,9?-Epoxide C9H16O4 188.104859 NA MeJP NA NA +MJ005765 Cyclocerberidol C9H16O4 188.104859 NA MeJP NA NA +MJ005766 Dihydro-3-(1-hydroxybutyl)-4-(hydroxymethyl)-2(3H)-furanone C9H16O4 188.104859 NA MeJP NA NA +MJ005767 Eucommiol C9H16O4 188.104859 NA MeJP NA NA +MJ005768 Isoaspinonene C9H16O4 188.104859 NA MeJP NA NA +MJ005769 Nonanedioic acid C9H16O4 188.104859 NA MeJP NA NA +HMDB00784 Azelaic acid C9H16O4 188.10486 http://www.hmdb.ca/metabolites/HMDB00784 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00784 Azelaic acid C9H16O4 188.10486 http://www.hmdb.ca/metabolites/HMDB00784 HMDB NA NA +HMDB00784 Azelaic acid C9H16O4 188.10486 http://www.hmdb.ca/metabolites/HMDB00784 PFEM_hmdb_metabocards_blood NA blood +HMDB00784 Azelaic acid C9H16O4 188.10486 HMDB00784 PFEM_hmdb_metabocards_official NA NA +EUR628 azelaic acid [M+H]+ 188.1049 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR628 azelaic acid [M+H]+ 188.1049 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR628 azelaic acid [M+H]+ 188.1049 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR628 azelaic acid [M+H]+ 188.1049 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C08261 Azelaic acid C9H16O4 188.1049 NA KEGG NA NA +3172 dipeptidyl-aminopeptidase IV inhibitor VA 188.105 celiac toxic Inhouse_peptide NA peptide +7595 ACE inhibitor IG 188.105 antioxidative Inhouse_peptide NA peptide +7596 ACE inhibitor GI 188.105 antioxidative Inhouse_peptide NA peptide +7599 ACE inhibitor GL 188.105 antioxidative Inhouse_peptide NA peptide +7619 ACE inhibitor LG 188.105 antioxidative Inhouse_peptide NA peptide +CJneg0289 Azelaic acid [(M-H)]- C9H15O4 188.105425 C18rt(min)=7.01 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0289 Azelaic acid [(M-H)]- C9H15O4 188.105425 C18rt(min)=7.01 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MLBis002 azelaic acid HMDB00784_RT8.21_add 188.1055 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis002 azelaic acid HMDB00784_RT8.21_add 188.1055 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis002 azelaic acid HMDB00784_RT8.21_add 188.1055 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis002 azelaic acid HMDB00784_RT8.21_add 188.1055 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis002 azelaic acid HMDB00784_RT8.21_add 188.1055 Mlbis HMDB NA NA +MLBis002 azelaic acid HMDB00784_RT8.21_add 188.1055 Mlbis Inhouse_PFEM NA NA +MLBis002 azelaic acid NA 188.1055 189.1127 Inhouse_sept12 NA NA +MLBis002 azelaic acid HMDB00784_RT8.21_add 188.1055 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis002 azelaic acid HMDB00784_RT8.21_add 188.1055 Mlbis PFEM_hmdb_metabocards_official NA NA +HMDB00206 N6-Acetyl-L-lysine C8H16N2O3 188.116089 NA HMDB2010 NA NA +HMDB00446 N-Alpha-acetyllysine C8H16N2O3 188.116089 NA HMDB2010 NA NA +HMDB00759 Glycyl-L-leucine C8H16N2O3 188.116089 NA HMDB2010 NA NA +HMDB00206 N6-Acetyl-L-lysine C8H16N2O3 188.11609 http://www.hmdb.ca/metabolites/HMDB00206 PFEM_hmdb_metabocards_urine NA urine +HMDB00206 N6-Acetyl-L-lysine C8H16N2O3 188.11609 http://www.hmdb.ca/metabolites/HMDB00206 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00206 N6-Acetyl-L-lysine C8H16N2O3 188.11609 http://www.hmdb.ca/metabolites/HMDB00206 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00206 N6-Acetyl-L-lysine C8H16N2O3 188.11609 http://www.hmdb.ca/metabolites/HMDB00206 HMDB NA NA +HMDB00446 N-alpha-Acetyllysine C8H16N2O3 188.11609 http://www.hmdb.ca/metabolites/HMDB00446 HMDB NA NA +HMDB00759 Glycyl-L-leucine C8H16N2O3 188.11609 http://www.hmdb.ca/metabolites/HMDB00759 HMDB NA NA +HMDB00206 N6-Acetyl-L-lysine C8H16N2O3 188.11609 HMDB00206 PFEM_hmdb_metabocards_official NA NA +HMDB00446 N-alpha-Acetyllysine C8H16N2O3 188.11609 HMDB00446 PFEM_hmdb_metabocards_official NA NA +HMDB00759 Glycyl-L-leucine C8H16N2O3 188.11609 HMDB00759 PFEM_hmdb_metabocards_official NA NA +MJ005770 Glutamine, N5-Isopropyl C8H16N2O3 188.116092 NA MeJP NA NA +MJ005771 Lysine, N2-Ac C8H16N2O3 188.116092 NA MeJP NA NA +MJ005772 Lysine, N6-Ac C8H16N2O3 188.116092 NA MeJP NA NA +MJ005773 N6-Acetyl-L-lysine C8H16N2O3 188.116092 NA MeJP NA NA +MetaCyc01665 N2-acetyl-L-Lysine [] C8H16N2O3 188.116092 NA metacyc NA NA +MetaCyc01666 3-amino-6-acetamidohexanoate [6-acetamido-3-aminohexanoate;] C8H16N2O3 188.116092 NA metacyc NA NA +MetaCyc01667 ε-N-acetyl-L-lysine [acetyllysine;N-ε-acetyllysine;] C8H16N2O3 188.116092 692-04-6 metacyc NA NA +MetaCyc01668 N6-acetyl-L-lysine [ε-N-acetyl-L-lysine;] C8H16N2O3 188.116092 NA metacyc NA NA +C02155 Glycyl-leucine C8H16N2O3 188.1161 NA KEGG NA NA +C02158 Hydroxypro-Xaa C7H11N2O4R 188.1161 NA KEGG NA NA +C02727 N6-Acetyl-L-lysine C8H16N2O3 188.1161 NA KEGG NA NA +C03846 6-Acetamido-3-aminohexanoate C8H16N2O3 188.1161 NA KEGG NA NA +C03847 6-Phospho-beta-D-galactoside C6H12O9PR 188.1161 NA KEGG NA NA +C12989 N2-Acetyl-L-lysine C8H16N2O3 188.1161 NA KEGG NA NA +C12990 Transferred to D01535 C8H16N2O3 188.1161 NA KEGG NA NA +C12991 Transferred to D01536 C8H16N2O3 188.1161 NA KEGG NA NA +C12992 Transferred to D01537 C8H16N2O3 188.1161 NA KEGG NA NA +C12993 Transferred to D02588 C8H16N2O3 188.1161 NA KEGG NA NA +C12994 Transferred to D01538 C8H16N2O3 188.1161 NA KEGG NA NA +C12995 Laureth 4 C12H26O 188.1161 NA KEGG NA NA +C12996 Transferred to D01540 C12H26O 188.1161 NA KEGG NA NA +C12997 Transferred to D01541 C12H26O 188.1161 NA KEGG NA NA +C12998 Transferred to D01542 C12H26O 188.1161 NA KEGG NA NA +C12999 Transferred to D01543 C12H26O 188.1161 NA KEGG NA NA +C13000 Transferred to D01544 C12H26O 188.1161 NA KEGG NA NA +C13001 Transferred to D01545 C12H26O 188.1161 NA KEGG NA NA +C13002 Transferred to D01546 C12H26O 188.1161 NA KEGG NA NA +C13003 Transferred to D01547 C12H26O 188.1161 NA KEGG NA NA +C13004 Transferred to D01548 C12H26O 188.1161 NA KEGG NA NA +C13005 Transferred to D01549 C12H26O 188.1161 NA KEGG NA NA +C13006 Transferred to D01550 C12H26O 188.1161 NA KEGG NA NA +C13007 Transferred to D01551 C12H26O 188.1161 NA KEGG NA NA +PJ000027 GL C8H16N2O3 188.1161 NA PeJP NA NA +MJ005774 1,5-Tridecadiene-7,9-diyn-4-ol C13H16O 188.120115 NA MeJP NA NA +MJ005775 4-(2,3,4-Trimethylphenyl)-3-buten-2-one C13H16O 188.120115 NA MeJP NA NA +MJ005776 4-(3,3-Dimethyl-1,4-pentadienyl)phenol C13H16O 188.120115 NA MeJP NA NA +MJ005777 5,11-Tridecadiene-7,9-diyn-4-ol C13H16O 188.120115 NA MeJP NA NA +MJ005778 5-Methyl-2-phenyl-2-hexenal C13H16O 188.120115 NA MeJP NA NA +MJ005779 7-Phenyl-4-hepten-3-one C13H16O 188.120115 NA MeJP NA NA +MJ005780 8,10-Tridecadiene-4,6-diyn-1-ol C13H16O 188.120115 NA MeJP NA NA +C01924 Homoarginine C7H16N4O2 188.1273 NA KEGG NA NA +C03884 Ngamma-Monomethyl-L-arginine C7H16N4O2 188.1273 NA KEGG NA NA +LABER062 homoarginine NA 188.127319 RT 1.81 fragt 172.1080, 144.1131, 130.0862 PFEM_hmdb_metabocards_urine NA urine +LABER062 homoarginine NA 188.127319 RT 1.81 fragt 172.1080, 144.1131, 130.0862 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER062 homoarginine NA 188.127319 RT 1.81 fragt 172.1080, 144.1131, 130.0862 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER062 homoarginine NA 188.127319 RT 1.81 fragt 172.1080, 144.1131, 130.0862 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER062 homoarginine NA 188.127319 RT 1.81 fragt 172.1080, 144.1131, 130.0862 HMDB NA NA +HMDB00670 Homo-L-arginine C7H16N4O2 188.127319 NA HMDB2010 NA NA +LABER062 homoarginine NA 188.127319 RT 1.81 fragt 172.1080, 144.1131, 130.0862 Inhouse_PFEM NA NA +LABER062 homoarginine NA 188.127319 RT 1.81 fragt 172.1080, 144.1131, 130.0862 Inhousejuil11 NA NA +LABER062 homoarginine NA 188.127319 RT 1.81 fragt 172.1080, 144.1131, 130.0862 PFEM_hmdb_metabocards_blood NA blood +LABER062 homoarginine NA 188.127319 RT 1.81 fragt 172.1080, 144.1131, 130.0862 PFEM_hmdb_metabocards_official NA NA +HMDB00670 Homo-L-arginine C7H16N4O2 188.12732 NA ;SYN:2-Amino-2-methylpropanoate; 2-Amino-2-methylpropanoic acid; 2-Aminoisobutyrate; 2-Aminoisobutyric acid; 2-Methylalanine; AIB; a-Aminoisobutanoate; a-Aminoisobutanoic acid; a-Aminoisobutyrate; a-Aminoisobutyric acid; a-Methylalanine; alpha-Aminoisobutanoate; alpha-Aminoisobutanoic acid; alpha-Aminoisobutyrate; alpha-Aminoisobutyric acid; alpha-MethylalanineH2Blood Inhouse_peptide NA peptide +MJ005781 2-Methylarginine C7H16N4O2 188.127325 NA MeJP NA NA +MJ005782 3-Amino-5-guanidinopentanoic acid; N3-Me C7H16N4O2 188.127325 NA MeJP NA NA +MJ005783 Blastidic acid C7H16N4O2 188.127325 NA MeJP NA NA +MJ005784 Homoarginine C7H16N4O2 188.127325 NA MeJP NA NA +MJ005785 NG-Methylarginine C7H16N4O2 188.127325 NA MeJP NA NA +HMDB00670 Homo-L-arginine C7H16N4O2 188.12733 http://www.hmdb.ca/metabolites/HMDB00670 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00670 Homo-L-arginine C7H16N4O2 188.12733 http://www.hmdb.ca/metabolites/HMDB00670 HMDB NA NA +HMDB00670 Homo-L-arginine C7H16N4O2 188.12733 http://www.hmdb.ca/metabolites/HMDB00670 PFEM_hmdb_metabocards_blood NA blood +HMDB00670 Homo-L-arginine C7H16N4O2 188.12733 HMDB00670 PFEM_hmdb_metabocards_official NA NA +C08302 N,N-Dimethyltryptamine C12H16N2 188.1313 NA KEGG NA NA +HMDB05973 Dimethyltryptamine C12H16N2 188.131348 NA HMDB2010 NA NA +MJ005786 1,2,3,4,6,7,8,9-Octahydrophenazine C12H16N2 188.131348 NA MeJP NA NA +MJ005787 1,3,4,6,7,11b-Hexahydro-2H-pyrazino[2,1-a]isoquinoline C12H16N2 188.131348 NA MeJP NA NA +MJ005788 3-(2-Aminobutyl)indole C12H16N2 188.131348 NA MeJP NA NA +MJ005789 Fenproporex C12H16N2 188.131348 NA MeJP NA NA +MJ005790 Ipidacrine C12H16N2 188.131348 NA MeJP NA NA +MJ005791 N,N-Dimethyltryptamine C12H16N2 188.131348 NA MeJP NA NA +MJ005792 3-(Dimethylaminomethyl)indole; N-Me C12H17N2(+) 188.131348 NA MeJP NA NA +HMDB05973 dimethyltryptamine C12H16N2 188.13135 http://www.hmdb.ca/metabolites/HMDB05973 PFEM_hmdb_metabocards_urine NA urine +HMDB05973 dimethyltryptamine C12H16N2 188.13135 http://www.hmdb.ca/metabolites/HMDB05973 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB05973 dimethyltryptamine C12H16N2 188.13135 http://www.hmdb.ca/metabolites/HMDB05973 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB05973 dimethyltryptamine C12H16N2 188.13135 http://www.hmdb.ca/metabolites/HMDB05973 HMDB NA NA +HMDB05973 dimethyltryptamine C12H16N2 188.13135 HMDB05973 PFEM_hmdb_metabocards_official NA NA +EUR003 4-hydroxy-hex-2-enal-diethylacetal C10H20O3 188.1412 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR003 4-hydroxy-hex-2-enal-diethylacetal C10H20O3 188.1412 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR003 4-hydroxy-hex-2-enal-diethylacetal C10H20O3 188.1412 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR003 4-hydroxy-hex-2-enal-diethylacetal C10H20O3 188.1412 Wishlist Inhousejuil11 NA NA +C02774 10-Hydroxydecanoic acid C10H20O3 188.1412 NA KEGG NA NA +C18067 6-Hydroxy-3,7-dimethyloctanoate C10H20O3 188.1412 NA KEGG NA NA +HMDB02203 3-Hydroxycapric acid C10H20O3 188.14124 http://www.hmdb.ca/metabolites/HMDB02203 HMDB NA NA +HMDB02203 3-Hydroxycapric acid C10H20O3 188.14124 HMDB02203 PFEM_hmdb_metabocards_official NA NA +MJ005793 2,5-Dimethyl-4-vinyl-2,3,5-hexanetriol C10H20O3 188.141244 NA MeJP NA NA +MJ005794 2,6-Dimethyl-7-octene-2,3,6-triol C10H20O3 188.141244 NA MeJP NA NA +MJ005795 3-Hydroxydecanoic acid C10H20O3 188.141244 NA MeJP NA NA +MJ005796 5-Hydroxydecanoic acid C10H20O3 188.141244 NA MeJP NA NA +MJ005797 6-Hydroxydecanoic acid C10H20O3 188.141244 NA MeJP NA NA +MJ005798 7-Hydroxydecanoic acid C10H20O3 188.141244 NA MeJP NA NA +MJ005799 7-Methyl-3-methylene-1,6,7-octanetriol C10H20O3 188.141244 NA MeJP NA NA +MJ005800 8-Decene-1,3,5-triol C10H20O3 188.141244 NA MeJP NA NA +MJ005801 9-Hydroxydecanoic acid C10H20O3 188.141244 NA MeJP NA NA +MJ005802 Promoxolane C10H20O3 188.141244 NA MeJP NA NA +MJ005803 p-Menthane-1,2,3-triol C10H20O3 188.141244 NA MeJP NA NA +MJ005804 p-Menthane-1,2,4-triol C10H20O3 188.141244 NA MeJP NA NA +MJ005805 p-Menthane-1,7,8-triol C10H20O3 188.141244 NA MeJP NA NA +MJ005806 p-Menthane-1,8,9-triol C10H20O3 188.141244 NA MeJP NA NA +MJ005807 p-Menthane-2,8,9-triol C10H20O3 188.141244 NA MeJP NA NA +EUR003 4-hydroxy-hex-2-enal-diethylacetal C10H20O3 188.141245 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR003 4-hydroxy-hex-2-enal-diethylacetal C10H20O3 188.141245 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR003 4-hydroxy-hex-2-enal-diethylacetal C10H20O3 188.141245 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR003 4-hydroxy-hex-2-enal-diethylacetal C10H20O3 188.141245 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR003 4-hydroxy-hex-2-enal-diethylacetal C10H20O3 188.141245 Wishlist HMDB NA NA +EUR003 4-hydroxy-hex-2-enal-diethylacetal C10H20O3 188.141245 Wishlist Inhouse_PFEM NA NA +MetaCyc01669 10-hydroxydecanoate [] C10H20O3 188.141245 1679-53-4 metacyc NA NA +EUR003 4-hydroxy-hex-2-enal-diethylacetal C10H20O3 188.141245 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR003 4-hydroxy-hex-2-enal-diethylacetal C10H20O3 188.141245 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB02203 3-Hydroxycapric acid C10H20O3 188.141251 NA HMDB2010 NA NA +HMDB10725 (R)-3-Hydroxydecanoic acid C10H20O3 188.141251 NA HMDB2010 NA NA +MJ005808 6-N-Trimethyllysine betaine C9H20N2O2 188.152477 NA MeJP NA NA +MJ005809 7,8-Diaminononanoate C9H20N2O2 188.152477 NA MeJP NA NA +MJ005810 N6,N6,N6-Trimethyl-L-lysine C9H20N2O2 188.152477 NA MeJP NA NA +MetaCyc01670 N6,N6,N6-trimethyl-L-lysine [(5-amino-5-carboxylato-pentyl)-trimethyl-ammonium;] C9H20N2O2 188.152478 NA metacyc NA NA +MetaCyc01671 7,8-diaminononanoate [7,8-diaminopelargonate;DAPA;] C9H20N2O2 188.152478 NA metacyc NA NA +HMDB01325 N6,N6,N6-Trimethyl-L-lysine C9H20N2O2 188.15248 http://www.hmdb.ca/metabolites/HMDB01325 HMDB NA NA +HMDB01325 N6,N6,N6-Trimethyl-L-lysine C9H20N2O2 188.15248 HMDB01325 PFEM_hmdb_metabocards_official NA NA +HMDB01325 N6,N6,N6-Trimethyl-L-lysine C9H20N2O2 188.152481 NA HMDB2010 NA NA +C01037 7,8-Diaminononanoate C9H20N2O2 188.1525 NA KEGG NA NA +C01038 Coagulation Factor X C9H20N2O2 188.1525 NA KEGG NA NA +C03793 N6,N6,N6-Trimethyl-L-lysine C9H20N2O2 188.1525 NA KEGG NA NA +MJ005811 1,2,3,4-Tetrahydro-1,1,5,6-tetramethylnaphthalene C14H20 188.1565 NA MeJP NA NA +MJ005812 1,2,3,4-Tetrahydro-2,2,7,8-tetramethylnaphthalene C14H20 188.1565 NA MeJP NA NA +MJ005813 6-(4-Methylphenyl)-1-hexene C14H20 188.1565 NA MeJP NA NA +CJpos0473 N1-acetylspermidine [(M+H)]+ (13C) C813CH22N3O 188.171275 C18rt(min)=0.86 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0473 N1-acetylspermidine [(M+H)]+ (13C) C813CH22N3O 188.171275 C18rt(min)=0.86 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ005814 4,6-Dimethyl-3,7-nonanediol C11H24O2 188.17763 NA MeJP NA NA +MJ005815 7,9-Dodecadien-1-ol, Ac C11H24O2 188.17763 NA MeJP NA NA +MJ005816 N,N'-Bis(3-aminopropyl)-1,3-propanediamine C9H24N4 188.200096 NA MeJP NA NA +3505 ACE inhibitor (beta-CN fr,59-61) VYP 188.5915 MH2+ Inhouse_peptide NA peptide +7634 ACE inhibitor from k-CN (fr, 21-23) YVP 188.5915 MH2+ Inhouse_peptide NA peptide +C10934 2,6-Dichlorobenzamide C7H5Cl2NO 188.9748 NA KEGG NA NA +MJ005817 Nifurmerone C6H4ClNO4 188.982885 NA MeJP NA NA +HMDB04823 Lanthionine ketimine C6H7NO4S 189.00958 http://www.hmdb.ca/metabolites/HMDB04823 PFEM_hmdb_metabocards_urine NA urine +HMDB04823 Lanthionine ketimine C6H7NO4S 189.00958 http://www.hmdb.ca/metabolites/HMDB04823 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04823 Lanthionine ketimine C6H7NO4S 189.00958 http://www.hmdb.ca/metabolites/HMDB04823 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04823 Lanthionine ketimine C6H7NO4S 189.00958 http://www.hmdb.ca/metabolites/HMDB04823 HMDB NA NA +HMDB04823 Lanthionine ketimine C6H7NO4S 189.00958 HMDB04823 PFEM_hmdb_metabocards_official NA NA +HMDB04823 Lanthionine ketimine C6H7NO4S 189.009583 NA HMDB2010 NA NA +C11327 2-Pyridyl hydroxymethane sulfonic acid C6H7NO4S 189.0096 NA KEGG NA NA +CJneg0290 Creatine [(M-H)+(NaCl)]- C4H8ClN3NaO2 189.028625 C18rt(min)=0.93 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0290 Creatine [(M-H)+(NaCl)]- C4H8ClN3NaO2 189.028625 C18rt(min)=0.93 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ005818 Quisqualic acid C5H7N3O5 189.03857 NA MeJP NA NA +C08296 Quisqualic acid C5H7N3O5 189.0386 NA KEGG NA NA +JH111 Kynurenic acid [M+H]+ C10H7NO3 189.042 Rtobs12.5 PFEM_hmdb_metabocards_urine NA urine +JH111 Kynurenic acid [M+H]+ C10H7NO3 189.042 12.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH111 Kynurenic acid [M+H]+ C10H7NO3 189.042 Rtobs12.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH111 Kynurenic acid [M+H]+ C10H7NO3 189.042 12.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH111 Kynurenic acid [M+H]+ C10H7NO3 189.042 Rtobs12.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH111 Kynurenic acid [M+H]+ C10H7NO3 189.042 12.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH111 Kynurenic acid [M+H]+ C10H7NO3 189.042 Rtobs12.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH111 Kynurenic acid [M+H]+ C10H7NO3 189.042 Rtobs12.5 HMDB NA NA +JH111 Kynurenic acid [M+H]+ C10H7NO3 189.042 Rtobs12.5 Inhouse_PFEM NA NA +JH111 Kynurenic acid [M+H]+ C10H7NO3 189.042 12.5 Inhousejuil11 NA NA +JH111 Kynurenic acid [M+H]+ C10H7NO3 189.042 Rtobs12.5 PFEM_hmdb_metabocards_blood NA blood +JH111 Kynurenic acid [M+H]+ C10H7NO3 189.042 Rtobs12.5 PFEM_hmdb_metabocards_official NA NA +CJpos0474 Kynurenic acid [(M+H)]+ C10H8NO3 189.042075 C18rt(min)=5.39 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0474 Kynurenic acid [(M+H)]+ C10H8NO3 189.042075 C18rt(min)=5.39 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +HMDB00715 Kynurenic acid C10H7NO3 189.042587 NA HMDB2010 NA NA +HMDB00715 Kynurenic acid C10H7NO3 189.04259 http://www.hmdb.ca/metabolites/HMDB00715 PFEM_hmdb_metabocards_urine NA urine +HMDB00715 Kynurenic acid C10H7NO3 189.04259 http://www.hmdb.ca/metabolites/HMDB00715 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00715 Kynurenic acid C10H7NO3 189.04259 http://www.hmdb.ca/metabolites/HMDB00715 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00715 Kynurenic acid C10H7NO3 189.04259 http://www.hmdb.ca/metabolites/HMDB00715 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00715 Kynurenic acid C10H7NO3 189.04259 http://www.hmdb.ca/metabolites/HMDB00715 HMDB NA NA +HMDB00715 Kynurenic acid C10H7NO3 189.04259 http://www.hmdb.ca/metabolites/HMDB00715 PFEM_hmdb_metabocards_blood NA blood +HMDB00715 Kynurenic acid C10H7NO3 189.04259 HMDB00715 PFEM_hmdb_metabocards_official NA NA +MJ005819 2-Hydroxy-4-quinolinecarboxylic acid; NH-form C10H7NO3 189.042593 NA MeJP NA NA +MJ005820 3-Hydroxy-2-quinolinecarboxylic acid C10H7NO3 189.042593 NA MeJP NA NA +MJ005821 4-Hydroxy-2-quinolinecarboxylic acid C10H7NO3 189.042593 NA MeJP NA NA +MJ005822 6,7-Methylenedioxyisoquinolone C10H7NO3 189.042593 NA MeJP NA NA +MJ005823 4-Hydroxy-2-quinolinecarboxylic acid C10H7NO3 189.042593 NA MeJP NA NA +MJ005824 N-Acetylisatin C10H7NO3 189.042593 NA MeJP NA NA +MetaCyc01672 N-acetylisatin [] C10H7N1O3 189.042593 574-17-4 metacyc NA NA +MetaCyc01673 kynurenate [kynurenic acid;kynurenate;] C10H7N1O3 189.042593 492-27-3 metacyc NA NA +MetaCyc01674 indole-3-glyoxylate [] C10H7N1O3 189.042593 NA metacyc NA NA +C01717 4-Hydroxy-2-quinolinecarboxylic acid C10H7NO3 189.0426 NA KEGG NA NA +C02172 N-Acetylisatin C10H7NO3 189.0426 NA KEGG NA NA +C02173 N-Acylmuramate C10H16NO8R 189.0426 NA KEGG NA NA +C02174 Oligophosphate C10H16NO8R 189.0426 NA KEGG NA NA +C02179 Peptidyl amide C2H5N2OR 189.0426 NA KEGG NA NA +C14800 1-Nitronaphthalene-5,6-oxide C10H7NO3 189.0426 NA KEGG NA NA +C14802 1-Nitronaphthalene-7,8-oxide C10H7NO3 189.0426 NA KEGG NA NA +C16715 2-Oxo-1,2-dihydroquinoline-4-carboxylate C10H7NO3 189.0426 NA KEGG NA NA +CJneg0291 kynurenic acid [(M-H)]- C10H6NO3 189.043125 C18rt(min)=5.39 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0291 kynurenic acid [(M-H)]- C10H6NO3 189.043125 C18rt(min)=5.39 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ005825 Thiotepa C6H12N3PS 189.048954 NA MeJP NA NA +C07641 Thiotepa C6H12N3PS 189.049 NA KEGG NA NA +JH169 Trimethoxycinnamic acid (3,4,5-) [M+H-H20-OCH3]+ NA 189.055 15.69 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH169 Trimethoxycinnamic acid (3,4,5-) [M+H-H20-OCH3]+ NA 189.055 15.69 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH169 Trimethoxycinnamic acid (3,4,5-) [M+H-H20-OCH3]+ NA 189.055 15.69 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH169 Trimethoxycinnamic acid (3,4,5-) [M+H-H20-OCH3]+ NA 189.055 15.69 Inhousejuil11 NA NA +3353 Antithrombotic peptide SSGE 189.0635 MH2+ Inhouse_peptide NA peptide +C00624 N-Acetyl-L-glutamate C7H11NO5 189.0637 NA KEGG NA NA +C00625 N-Acyl-D-mannosamine C7H12NO6R 189.0637 NA KEGG NA NA +C03871 L-2-Amino-6-oxoheptanedioate C7H11NO5 189.0637 NA KEGG NA NA +C12109 AminoDHQ C7H11NO5 189.0637 NA KEGG NA NA +HMDB01138 N-Acetylglutamic acid C7H11NO5 189.06372 http://www.hmdb.ca/metabolites/HMDB01138 HMDB NA NA +HMDB01138 N-Acetylglutamic acid C7H11NO5 189.06372 HMDB01138 PFEM_hmdb_metabocards_official NA NA +HMDB00590 Glutarylglycine C7H11NO5 189.063721 NA HMDB2010 NA NA +HMDB01138 N-Acetylglutamic acid C7H11NO5 189.063721 NA HMDB2010 NA NA +MJ005826 Glutamic acid, N-Ac C7H11NO5 189.063722 NA MeJP NA NA +MJ005827 L-2-Amino-6-oxoheptanedioate C7H11NO5 189.063722 NA MeJP NA NA +MJ005828 N-Acetyl-L-glutamate C7H11NO5 189.063722 NA MeJP NA NA +MetaCyc01675 L-α-amino-ε-keto-pimelate [L-2-Amino-6-oxopimelate;L-2-Amino-6-oxoheptanedioate;] C7H11N1O5 189.063722 NA metacyc NA NA +MetaCyc01676 N-acetyl-L-glutamate [N-acetylglutamic acid;acetyl-glu;N-acetyl-glutamate;acetyl-glutamate;N-acetyl L-glutamic acid;NAG;] C7H11N1O5 189.063722 1188-37-0 metacyc NA NA +7624 ACE inhibitor NG 189.0639 antioxidative Inhouse_peptide NA peptide +MJ005829 1-Isothiocyanato-6-(methylthio)hexane C8H15NS2 189.06459 NA MeJP NA NA +CJpos0475 Tryptophan isomer [(M+H)-(NH3)]+ (13C2) C913C2H10NO2 189.069475 C18rt(min)=5.26 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0475 Tryptophan isomer [(M+H)-(NH3)]+ (13C2) C913C2H10NO2 189.069475 C18rt(min)=5.26 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ005830 Caracemide C6H11N3O4 189.074955 NA MeJP NA NA +MJ005831 Glycylglycylglycine C6H11N3O4 189.074955 NA MeJP NA NA +C03140 N-Amidino-L-glutamate C6H11N3O4 189.075 NA KEGG NA NA +PJ000028 GN C6H11N3O4 189.075 NA PeJP NA NA +MJ005832 1H-Indole-3-acetic acid; Me ester C11H11NO2 189.078978 NA MeJP NA NA +MJ005833 1H-Indole-3-propanoic acid C11H11NO2 189.078978 NA MeJP NA NA +MJ005834 2,4-Quinolinediol; 2-One-form, 4-Me ether, N-Me C11H11NO2 189.078978 NA MeJP NA NA +MJ005835 2,4-Quinolinediol; Diol-form, Di-Me ether C11H11NO2 189.078978 NA MeJP NA NA +MJ005836 3-Phenyl-2,5-pyrrolidinedione, N-Me C11H11NO2 189.078978 NA MeJP NA NA +MJ005837 5-(4-Aminophenyl)-2,4-pentadienoic acid C11H11NO2 189.078978 NA MeJP NA NA +MJ005838 6,7-Dihydroxy-1-methylisoquinoline; 6-Me ether C11H11NO2 189.078978 NA MeJP NA NA +MJ005839 6,7-Isoquinolinediol; Di-Me ether C11H11NO2 189.078978 NA MeJP NA NA +MJ005840 7,8-Isoquinolinediol; Di-Me ether C11H11NO2 189.078978 NA MeJP NA NA +MJ005841 Louisianin B; 5-Ketone C11H11NO2 189.078978 NA MeJP NA NA +MJ005842 Racemigerine C11H11NO2 189.078978 NA MeJP NA NA +HMDB02302 3-Indolepropionic acid C11H11NO2 189.078979 NA HMDB2010 NA NA +HMDB02302 3-Indolepropionic acid C11H11NO2 189.07898 http://www.hmdb.ca/metabolites/HMDB02302 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02302 3-Indolepropionic acid C11H11NO2 189.07898 http://www.hmdb.ca/metabolites/HMDB02302 HMDB NA NA +HMDB02302 3-Indolepropionic acid C11H11NO2 189.07898 http://www.hmdb.ca/metabolites/HMDB02302 PFEM_hmdb_metabocards_blood NA blood +HMDB02302 3-Indolepropionic acid C11H11NO2 189.07898 HMDB02302 PFEM_hmdb_metabocards_official NA NA +C07437 Phensuximide C11H11NO2 189.079 NA KEGG NA NA +C09348 Backebergine C11H11NO2 189.079 NA KEGG NA NA +C12345 1,3-Dimethyl-6,8-isoquinolinediol C11H11NO2 189.079 NA KEGG NA NA +8221 antioxidative peptide TSTA 189.0815 MH2+ Inhouse_peptide NA peptide +C06751 Prenyl-L-cysteine C8H15NO2S 189.0823 NA KEGG NA NA +MJ005843 Prenisteine C8H15NO2S 189.082349 NA MeJP NA NA +MetaCyc01677 S-prenyl-L-cysteine [prenyl-L-cysteine;S-prenyl-L-cysteine;] C8H15N1O2S1 189.082349 NA metacyc NA NA +HMDB12286 S-Prenyl-L-cysteine C8H15NO2S 189.082352 NA HMDB2010 NA NA +MJ005844 2-Imino-3-methyl-1-phenyl-4-imidazolidinone C10H11N3O 189.090211 NA MeJP NA NA +MJ005845 Agaricone C10H11N3O 189.090211 NA MeJP NA NA +MJ005846 Crotoniazide C10H11N3O 189.090211 NA MeJP NA NA +MJ005847 Tambjamine A C10H11N3O 189.090211 NA MeJP NA NA +C02256 Castanospermine C8H15NO4 189.1001 NA KEGG NA NA +C02257 Cereal D-glucan C8H15NO4 189.1001 NA KEGG NA NA +C02259 Collagen type X C8H15NO4 189.1001 NA KEGG NA NA +C06326 (2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate C8H15NO4 189.1001 NA KEGG NA NA +C10124 Alexine C8H15NO4 189.1001 NA KEGG NA NA +C10132 Australine C8H15NO4 189.1001 NA KEGG NA NA +C11843 2 -(Butylamido)-4-hydroxybutanoic acid C8H15NO4 189.1001 NA KEGG NA NA +MJ005848 1,2,7-Trihydroxy-3-(hydroxymethyl)-1H-pyrrolizidine C8H15NO4 189.100107 NA MeJP NA NA +MJ005849 2-Amino-4-methylheptanedioic acid C8H15NO4 189.100107 NA MeJP NA NA +MJ005850 8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol, N-Me C8H15NO4 189.100107 NA MeJP NA NA +MJ005851 Castanospermine C8H15NO4 189.100107 NA MeJP NA NA +MJ005852 Swainsonine; N-Oxide C8H15NO4 189.100107 NA MeJP NA NA +MetaCyc01678 (2S)-2-{[1-(R)-carboxyethyl]amino}pentanoate [] C8H15N1O4 189.100108 NA metacyc NA NA +CJneg0292 Stachydrine (Proline betaine) [(M-H)+(HCOOH)]- C8H14NO4 189.100625 C18rt(min)=0.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0292 Stachydrine (Proline betaine) [(M-H)+(HCOOH)]- C8H14NO4 189.100625 C18rt(min)=0.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +HMDB03933 Pentosidine C17H26N6O4 189.100769 MH2+ Inhouse_peptide NA peptide +CJneg0293 Azelaic acid [(M-H)]- (13C) C813CH15O4 189.108725 C18rt(min)=7.01 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0293 Azelaic acid [(M-H)]- (13C) C813CH15O4 189.108725 C18rt(min)=7.01 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C02427 L-Homocitrulline C7H15N3O3 189.1113 NA KEGG NA NA +C02429 L-Leucyl-protein C8H15N2O3R 189.1113 NA KEGG NA NA +C02430 L-Methionyl-tRNA C20H30N6O11PSR 189.1113 NA KEGG NA NA +HMDB00679 Homocitrulline C7H15N3O3 189.11134 http://www.hmdb.ca/metabolites/HMDB00679 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00679 Homocitrulline C7H15N3O3 189.11134 http://www.hmdb.ca/metabolites/HMDB00679 HMDB NA NA +HMDB00679 Homocitrulline C7H15N3O3 189.11134 Polypeptides ;SYN:3-(Phenylalanine)-8-lysine oxytocin; 8-L-Lysine vasopressin; ADH; Antidiuretic hormone; Diapid; Pitressin; Pitressin Tannate; PressynH2Blood; Cerebrospinal Fluid Inhouse_peptide NA peptide +HMDB00679 Homocitrulline C7H15N3O3 189.11134 http://www.hmdb.ca/metabolites/HMDB00679 PFEM_hmdb_metabocards_blood NA blood +HMDB00679 Homocitrulline C7H15N3O3 189.11134 HMDB00679 PFEM_hmdb_metabocards_official NA NA +MetaCyc01679 L-homocitrulline [homocitrulline;] C7H15N3O3 189.111341 1190-49-4 metacyc NA NA +HMDB00679 Homocitrulline C7H15N3O3 189.111343 NA HMDB2010 NA NA +MJ005853 Boschniakine, N-Et C12H16NO(+) 189.115364 NA MeJP NA NA +MetaCyc01680 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine N- oxide [] C12H15N1O1 189.115364 NA metacyc NA NA +C04731 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide C12H15NO 189.1154 NA KEGG NA NA +C11081 EPTC C9H19NOS 189.1187 NA KEGG NA NA +C17251 8-Methylthiooctanaldoxime C9H19NOS 189.1187 NA KEGG NA NA +MJ005854 2,3,6-Trideoxy-3-dimethylamino-ribo-hexose; ?-L-Pyranose-form, Me glycoside C9H19NO3 189.136493 NA MeJP NA NA +MJ005855 2,3,6-Trideoxy-3-dimethylamino-ribo-hexose; ?-L-Pyranose-form, Me glycoside C9H19NO3 189.136493 NA MeJP NA NA +C18172 Carboxyspermidine C8H19N3O2 189.1477 NA KEGG NA NA +MJ005856 2-(6-Methyl-2,4-octadienyl)-1H-pyrrole C13H19N 189.151749 NA MeJP NA NA +MJ005857 3-Methylpyrrolidine, N-(2-Phenylethyl) C13H19N 189.151749 NA MeJP NA NA +MJ005858 5,6,7,8-Tetrahydro-5-methyl-2-propylquinoline C13H19N 189.151749 NA MeJP NA NA +MJ005859 Enefexine C13H19N 189.151749 NA MeJP NA NA +C14690 Tetraethylenepentamine C8H23N5 189.1953 NA KEGG NA NA +7922 synthetic peptide SHH 189.574 MH2+ Inhouse_peptide NA peptide +7638 ACE inhibitor from tuna muscles LTF 189.5995 MH2+ Inhouse_peptide NA peptide +MJ005860 Sodium disulfite Na2O5S2 189.898253 NA MeJP NA NA +C06670 2,4-Dichlorobenzoate C7H4Cl2O2 189.9588 NA KEGG NA NA +MJ005861 2,4-Dichlorobenzoate C7H4Cl2O2 189.958834 NA MeJP NA NA +C14842 Bromobenzene-2,3-dihydrodiol C6H7BrO2 189.9629 NA KEGG NA NA +C14844 Bromobenzene-3,4-dihydrodiol C6H7BrO2 189.9629 NA KEGG NA NA +MJ005862 4-Sulfocatechol C6H6O5S 189.993594 NA MeJP NA NA +MetaCyc01681 3-sulfocatechol [3SC;2,3-dihydroxybenzenesulfonate;] C6H6O5S1 189.993594 NA metacyc NA NA +C06336 3-Sulfocatechol C6H6O5S 189.9936 NA KEGG NA NA +C06674 4-Sulfocatechol C6H6O5S 189.9936 NA KEGG NA NA +CJneg0294 pyrocatechol sulfate isomer [(M-H)]- C6H5O5S 189.994125 C18rt(min)=4.88 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0294 pyrocatechol sulfate isomer [(M-H)]- C6H5O5S 189.994125 C18rt(min)=4.88 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ005863 2,4-Dichloro-3,5-dimethylphenol C8H8Cl2O 189.99522 NA MeJP NA NA +HMDB03974 Oxalosuccinic acid C6H6O7 190.01135 http://www.hmdb.ca/metabolites/HMDB03974 HMDB NA NA +HMDB03974 Oxalosuccinic acid C6H6O7 190.01135 HMDB03974 PFEM_hmdb_metabocards_official NA NA +MJ005864 Oxalosuccinate C6H6O7 190.011352 NA MeJP NA NA +HMDB03974 Oxalosuccinic acid C6H6O7 190.011353 NA HMDB2010 NA NA +MetaCyc01682 oxalosuccinate [oxalo-succ;] C6H6O7 190.011353 NA metacyc NA NA +C05379 Oxalosuccinate C6H6O7 190.0114 NA KEGG NA NA +C04110 3,5-Dihydroxy-1,4-naphthoquinone C10H6O4 190.0266 NA KEGG NA NA +C18078 Ayapin C10H6O4 190.0266 NA KEGG NA NA +MJ005865 2,4,6-Decatriynedioic acid C10H6O4 190.026608 NA MeJP NA NA +MJ005866 2,5-Dihydroxy-1,4-naphthoquinone C10H6O4 190.026608 NA MeJP NA NA +MJ005867 2,8-Decadiene-4,6-diynedioic acid C10H6O4 190.026608 NA MeJP NA NA +MJ005868 2,8-Dihydroxy-1,4-naphthoquinone C10H6O4 190.026608 NA MeJP NA NA +MJ005869 2-Oxo-2H-1-benzopyran-4-carboxylic acid C10H6O4 190.026608 NA MeJP NA NA +MJ005870 4-Oxo-4H-1-benzopyran-2-carboxylic acid C10H6O4 190.026608 NA MeJP NA NA +MJ005871 6,7-Methylenedioxy-2H-1-benzopyran-2-one C10H6O4 190.026608 NA MeJP NA NA +MJ005872 6,7-Methylenedioxy-4H-1-benzopyran-4-one C10H6O4 190.026608 NA MeJP NA NA +MJ005873 7,8-Dihydroxy-2H-1-benzopyran-2-one; Methylene ether C10H6O4 190.026608 NA MeJP NA NA +MJ005874 7-Hydroxy-2-oxo-2H-1-benzopyran-6-carboxaldehyde C10H6O4 190.026608 NA MeJP NA NA +MJ005875 Cerberinic acid C10H6O4 190.026608 NA MeJP NA NA +MetaCyc01683 3,5-dihydroxy-1,4-naphthoquinone [] C10H6O4 190.026609 NA metacyc NA NA +CJpos0476 Glutamine [(M-H+2Na)]+ C5H9N2Na2O3 190.032475 C18rt(min)=0.87 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0476 Glutamine [(M-H+2Na)]+ C5H9N2Na2O3 190.032475 C18rt(min)=0.87 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +C03474 4-Nitroquinoline N-oxide C9H6N2O3 190.0378 NA KEGG NA NA +C03475 5'-Phosphopolynucleotide C10H18O13P2R2 190.0378 NA KEGG NA NA +MJ005876 8-Hydroxy-5-nitroquinoline C9H6N2O3 190.037842 NA MeJP NA NA +MetaCyc01684 4-nitroquinoline-N-oxide [] C9H6N2O3 190.037842 NA metacyc NA NA +CJpos0477 Kynurenic acid [(M+H)]+ (13C) C913CH8NO3 190.045375 C18rt(min)=5.39 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0477 Kynurenic acid [(M+H)]+ (13C) C913CH8NO3 190.045375 C18rt(min)=5.39 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJneg0295 kynurenic acid [(M-H)]- (13C) C913CH6NO3 190.046525 C18rt(min)=5.39 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0295 kynurenic acid [(M-H)]- (13C) C913CH6NO3 190.046525 C18rt(min)=5.39 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C00944 3-Dehydroquinate C7H10O6 190.0477 NA KEGG NA NA +C04049 4-Hydroxy-4-methyl-2-oxoadipate C7H10O6 190.0477 NA KEGG NA NA +C05601 4-Hydroxy-2-oxo-heptanedioate C7H10O6 190.0477 NA KEGG NA NA +C06201 2,4-Dihydroxyhept-2-enedioate C7H10O6 190.0477 NA KEGG NA NA +MJ005877 4-Hydroxy-2-oxoheptanedioic acid C7H10O6 190.047738 NA MeJP NA NA +MJ005878 2,4-Dihydroxyhept-2-enedioate C7H10O6 190.047738 NA MeJP NA NA +MJ005879 3-Dehydroquinate C7H10O6 190.047738 NA MeJP NA NA +MJ005880 4-Hydroxy-2-ketopimelate C7H10O6 190.047738 NA MeJP NA NA +MetaCyc01685 3-dehydroquinate [3-dehydroquinic acid;5-dehydroquinic acid;5-dehydroquinate;5-de-H-quinate;] C7H10O6 190.047738 10534-44-8 metacyc NA NA +MetaCyc01686 4-hydroxy-2-ketopimelate [2-oxo-4-hydroxyhepta-1,7-dioate;2-keto-4-hydroxypimelate;] C7H10O6 190.047738 NA metacyc NA NA +7620 ACE inhibitor GD 190.0479 antioxidative Inhouse_peptide NA peptide +7681 ACE inhibitor from soy DG 190.0479 antioxidative Inhouse_peptide NA peptide +MetaCyc01687 2-oxindole-3-acetate [2-indolinone-3-acetic acid;2-oxindole-3-acetic acid;2-indolinone-3-acetate;] C10H8N1O3 190.050418 NA metacyc NA NA +MJ005881 N-Carbamyl-L-glutamate C6H10N2O5 190.058971 NA MeJP NA NA +MJ005882 2-Amino-4-(oxalylamino)butanoic acid C6H10N2O5 190.058971 NA MeJP NA NA +MJ005883 4-Amino-2-(oxalylamino)butanoic acid C6H10N2O5 190.058971 NA MeJP NA NA +MJ005884 Alahopcin; Dealanyl C6H10N2O5 190.058971 NA MeJP NA NA +MJ005885 Glutamic acid, N-Carbamoyl C6H10N2O5 190.058971 NA MeJP NA NA +MetaCyc01688 N-carbamyl-L-glutamate [] C6H10N2O5 190.058971 NA metacyc NA NA +HMDB11165 L-beta-aspartyl-L-glycine C6H10N2O5 190.058975 NA HMDB2010 NA NA +C05829 N-Carbamyl-L-glutamate C6H10N2O5 190.059 NA KEGG NA NA +C08266 L-alpha-Amino-gamma-oxalylaminobutyric acid C6H10N2O5 190.059 NA KEGG NA NA +PJ000029 GD C6H10N2O5 190.059 NA PeJP NA NA +MJ005886 Giracodazole C6H11ClN4O 190.062138 NA MeJP NA NA +MJ005887 1-(5-Benzofuranyl)-2-hydroxy-1-propanone C11H10O3 190.062994 NA MeJP NA NA +MJ005888 10-Hydroxy-2,8-decadiene-4,6-diynoic acid, Me ester C11H10O3 190.062994 NA MeJP NA NA +MJ005889 2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone C11H10O3 190.062994 NA MeJP NA NA +MJ005890 3-Hydroxy-5-phenylpentanoic acid C11H10O3 190.062994 NA MeJP NA NA +MJ005891 4-Hydroxy-5,6-undecadiene-8,10-diynoic acid C11H10O3 190.062994 NA MeJP NA NA +MJ005892 4-Hydroxy-5-methyl-2H-1-benzopyran-2-one; Me ether C11H10O3 190.062994 NA MeJP NA NA +MJ005893 5-(4-Hydroxyphenyl)-2,4-pentadienoic acid C11H10O3 190.062994 NA MeJP NA NA +MJ005894 5-Acetyl-7-hydroxybenzofuran; Me ether C11H10O3 190.062994 NA MeJP NA NA +MJ005895 5-Hydroxy-1,3-indanedione; Enol-form, Di-Me ether C11H10O3 190.062994 NA MeJP NA NA +MJ005896 5-Hydroxy-2,7-dimethyl-4H-1-benzopyran-4-one C11H10O3 190.062994 NA MeJP NA NA +MJ005897 5-Hydroxy-4-methyl-2H-1-benzopyran-2-one; Me ether C11H10O3 190.062994 NA MeJP NA NA +MJ005898 7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one C11H10O3 190.062994 NA MeJP NA NA +MJ005899 7-Hydroxy-6-methyl-2H-1-benzopyran-2-one; Me ether C11H10O3 190.062994 NA MeJP NA NA +MJ005900 7-Methyl-1,4,5-naphthalenetriol C11H10O3 190.062994 NA MeJP NA NA +MJ005901 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one C11H10O3 190.062994 NA MeJP NA NA +C11052 7-Ethoxycoumarin C11H10O3 190.063 NA KEGG NA NA +C14105 1,2-Dihydroxy-7-hydroxymethylnaphthalene C11H10O3 190.063 NA KEGG NA NA +C15102 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid C11H10O3 190.063 NA KEGG NA NA +C17916 Coixinden A C11H10O3 190.063 NA KEGG NA NA +C17220 2-Oxo-7-methylthioheptanoic acid C8H14O3S 190.0664 NA KEGG NA NA +CJpos0478 Kynurenine isomer [(M+H)-(H2O)]+ C10H11N2O2 190.073675 C18rt(min)=4.46 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0478 Kynurenine isomer [(M+H)-(H2O)]+ C10H11N2O2 190.073675 C18rt(min)=4.46 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C17204 Indole-3-acetaldoxime N-oxide C10H10N2O2 190.0742 NA KEGG NA NA +MJ005902 1H-Benzimidazole-2-propanoic acid C10H10N2O2 190.074227 NA MeJP NA NA +MJ005903 2,4(1H,3H)-Quinazolinedione; Di-NH-form, 1,3-Di-Me C10H10N2O2 190.074227 NA MeJP NA NA +MJ005904 2,5-Di-1-aziridinylbenzoquinone C10H10N2O2 190.074227 NA MeJP NA NA +MJ005905 2-(1-Hydroxyethyl)-4(3H)-quinazolinone C10H10N2O2 190.074227 NA MeJP NA NA +MJ005906 3,4-Dihydro-5-(2-pyridinyl)-2H-pyrrole-2-carboxylic acid C10H10N2O2 190.074227 NA MeJP NA NA +MJ005907 4-Methoxy-2,2'-bipyrrole-5-carboxaldehyde C10H10N2O2 190.074227 NA MeJP NA NA +MJ005908 6-Hydroxy-1H-indole-3-acetic acid; Amide C10H10N2O2 190.074227 NA MeJP NA NA +C11015 Aldicarb C7H14N2O2S 190.0776 NA KEGG NA NA +CJpos0479 Hydroxysuberic acid isomer [(M+H)]+ C8H15O5 190.083575 C18rt(min)=4.9 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0480 Hydroxysuberic acid isomer [(M+H)]+ C8H15O5 190.083575 C18rt(min)=5.15 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0479 Hydroxysuberic acid isomer [(M+H)]+ C8H15O5 190.083575 C18rt(min)=4.9 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0480 Hydroxysuberic acid isomer [(M+H)]+ C8H15O5 190.083575 C18rt(min)=5.15 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +8032 synthetic peptide PHQ 190.084 MH2+ Inhouse_peptide NA peptide +C04546 (R)-3-((R)-3-Hydroxybutanoyloxy)butanoate C8H14O5 190.0841 NA KEGG NA NA +HMDB00325 3-Hydroxysuberic acid C8H14O5 190.08412 http://www.hmdb.ca/metabolites/HMDB00325 PFEM_hmdb_metabocards_urine NA urine +HMDB00325 3-Hydroxysuberic acid C8H14O5 190.08412 http://www.hmdb.ca/metabolites/HMDB00325 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00325 3-Hydroxysuberic acid C8H14O5 190.08412 http://www.hmdb.ca/metabolites/HMDB00325 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00325 3-Hydroxysuberic acid C8H14O5 190.08412 http://www.hmdb.ca/metabolites/HMDB00325 HMDB NA NA +HMDB00325 3-Hydroxysuberic acid C8H14O5 190.08412 HMDB00325 PFEM_hmdb_metabocards_official NA NA +HMDB00325 3-Hydroxysuberic acid C8H14O5 190.084122 NA HMDB2010 NA NA +MJ005909 2,6-Dideoxy-lyxo-hexose, 3-Ac C8H14O5 190.084123 NA MeJP NA NA +MJ005910 2-Hydroxy-2-(2-methylpropyl)butanedioic acid C8H14O5 190.084123 NA MeJP NA NA +MJ005911 3-Hydroxy-2,3,4-trimethylpentanedioic acid C8H14O5 190.084123 NA MeJP NA NA +MJ005912 3-Hydroxybutanoic acid, 3-O-(3R-Hydroxybutanoyl) C8H14O5 190.084123 NA MeJP NA NA +MJ005913 4-C-Acetyl-2,6-dideoxy-xylo-hexose C8H14O5 190.084123 NA MeJP NA NA +MJ005914 Sphydrofuran C8H14O5 190.084123 NA MeJP NA NA +MJ005915 (R)-3-((R)-3-Hydroxybutanoyloxy)-butanoate C8H14O5 190.084123 NA MeJP NA NA +MetaCyc01689 (R)-3-((R)-3-hydroxybutanoyloxy)-butanoate [] C8H14O5 190.084124 NA metacyc NA NA +CJneg0296 Hydroxysuberic acid isomer [(M-H)]- C8H13O5 190.084625 C18rt(min)=4.9 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0297 Hydroxysuberic acid isomer [(M-H)]- C8H13O5 190.084625 C18rt(min)=5.15 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0298 6-(2-hydroxyethoxy)-6-oxohexanoic acid [(M-H)]- C8H13O5 190.084625 C18rt(min)=5.35 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0299 6-(carboxymethoxy)-hexanoic acid [(M-H)]- C8H13O5 190.084625 C18rt(min)=5.65 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0300 Hydroxysuberic acid isomer [(M-H)]- C8H13O5 190.084625 C18rt(min)=6.3 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0296 Hydroxysuberic acid isomer [(M-H)]- C8H13O5 190.084625 C18rt(min)=4.9 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0297 Hydroxysuberic acid isomer [(M-H)]- C8H13O5 190.084625 C18rt(min)=5.15 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0298 6-(2-hydroxyethoxy)-6-oxohexanoic acid [(M-H)]- C8H13O5 190.084625 C18rt(min)=5.35 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0299 6-(carboxymethoxy)-hexanoic acid [(M-H)]- C8H13O5 190.084625 C18rt(min)=5.65 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0300 Hydroxysuberic acid isomer [(M-H)]- C8H13O5 190.084625 C18rt(min)=6.3 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ005916 1-Azabicyclo[2.2.2]octan-3-one; O-Methyloxime; hydrochloride C8H15ClN2O 190.08729 NA MeJP NA NA +HMDB01370 Diaminopimelic acid C7H14N2O4 190.095352 NA HMDB2010 NA NA +MJ005917 LL-2,6-Diaminoheptanedioate C7H14N2O4 190.095356 NA MeJP NA NA +MJ005918 meso-2,6-Diaminoheptanedioate C7H14N2O4 190.095356 NA MeJP NA NA +MJ005919 2,4-Diaminobutanoic acid, 4-(2-Hydroxypropanoyl) C7H14N2O4 190.095356 NA MeJP NA NA +MJ005920 Rhizobitoxin C7H14N2O4 190.095356 NA MeJP NA NA +MetaCyc01690 meso-diaminopimelate [meso-2,6-diaminopimelate;meso-A2pm;meso-diaminoheptanedioate;meso-2,6-diaminoheptanedioate;meso-1-α,ε-diaminopimelate;D,L-diaminopimelate;D,L-DAP;D,L-meso-diaminoheptanedioate;M-DAP;] C7H14N2O4 190.095357 922-54-3 metacyc NA NA +MetaCyc01691 L,L-diaminopimelate [L,L-A2pm;L,L-DAP;L,L-2,6-diaminopimelate;L,L-2,6-diaminoheptanedioate;] C7H14N2O4 190.095357 14289-34-0 metacyc NA NA +MetaCyc01692 D,D-diaminopimelate [D,D-A2pm;DD-2,6-diaminopeptanedioate;D,D-α-ε-diaminopimelate;D,D-2,6-diaminopimelate;D,D-DAP;] C7H14N2O4 190.095357 NA metacyc NA NA +HMDB01370 Diaminopimelic acid C7H14N2O4 190.09537 http://www.hmdb.ca/metabolites/HMDB01370 HMDB NA NA +HMDB01370 Diaminopimelic acid C7H14N2O4 190.09537 HMDB01370 PFEM_hmdb_metabocards_official NA NA +C00666 LL-2,6-Diaminoheptanedioate C7H14N2O4 190.0954 NA KEGG NA NA +C00667 Oxidized adrenal ferredoxin C7H14N2O4 190.0954 NA KEGG NA NA +C00680 meso-2,6-Diaminoheptanedioate C7H14N2O4 190.0954 NA KEGG NA NA +C00681 1-Acyl-sn-glycerol 3-phosphate C4H8O7PR 190.0954 NA KEGG NA NA +PJ000030 AT C7H14N2O4 190.0954 NA PeJP NA NA +3750 dipeptidyl carboxypeptidase inhibitor PPPA 190.0965 MH2+ Inhouse_peptide NA peptide +3771 dipeptidyl carboxypeptidase inhibitor PPAP 190.0965 MH2+ Inhouse_peptide NA peptide +MJ005921 Dihydralazine C8H10N6 190.096694 NA MeJP NA NA +MJ005922 2,2,8-Trimethyl-2H-1-benzopyran-6-ol C12H14O2 190.099379 NA MeJP NA NA +MJ005923 2,2-Dimethyl-2H-1-benzopyran-6-ol; Me ether C12H14O2 190.099379 NA MeJP NA NA +MJ005924 2,2-Dimethyl-2H-1-benzopyran-7-ol; Me ether C12H14O2 190.099379 NA MeJP NA NA +MJ005925 2,2-Dimethyl-2H-1-benzopyran-8-ol; Me ether C12H14O2 190.099379 NA MeJP NA NA +MJ005926 2,3-Dihydro-6-methoxy-2-(1-methylethenyl)benzofuran C12H14O2 190.099379 NA MeJP NA NA +MJ005927 2,6,8-Decatrien-4-yn-1-ol, Ac C12H14O2 190.099379 NA MeJP NA NA +MJ005928 2-Decene-4,6-diyn-1-ol, Ac C12H14O2 190.099379 NA MeJP NA NA +MJ005929 2-Decene-4,6-diynoic acid, Et ester C12H14O2 190.099379 NA MeJP NA NA +MJ005930 2-Hydroxy-6-pentylbenzyl alcohol; 1',2',3',4'-Tetradehydro(E,E-) C12H14O2 190.099379 NA MeJP NA NA +MJ005931 2-Methyl-5-prenylbenzoquinone C12H14O2 190.099379 NA MeJP NA NA +MJ005932 3,4-Dihydro-4-hydroxy-2,7-dimethyl-1(2H)-naphthalenone C12H14O2 190.099379 NA MeJP NA NA +MJ005933 3,4-Dihydro-4-hydroxy-3,6-dimethyl-1(2H)-naphthalenone C12H14O2 190.099379 NA MeJP NA NA +MJ005934 3,4-Dihydro-4-hydroxy-4,7-dimethyl-1(2H)-naphthalenone C12H14O2 190.099379 NA MeJP NA NA +MJ005935 3,4-Dihydro-5-hydroxy-4,7-dimethyl-1(2H)-naphthalenone C12H14O2 190.099379 NA MeJP NA NA +MJ005936 3,5,7,9,11-Dodecapentaenoic acid C12H14O2 190.099379 NA MeJP NA NA +MJ005937 3,7-Dimethyl-5-indanecarboxylic acid C12H14O2 190.099379 NA MeJP NA NA +MJ005938 3-(2-Methylpropylidene)-1(3H)-isobenzofuranone, 3a,4-Dihydro C12H14O2 190.099379 NA MeJP NA NA +MJ005939 3-Butyl-1(3H)-isobenzofuranone C12H14O2 190.099379 NA MeJP NA NA +MJ005940 3-Methyl-2-butenoic acid; Benzyl ester C12H14O2 190.099379 NA MeJP NA NA +MJ005941 4-(1,3-Butadienyl)-1,2-dimethoxybenzene C12H14O2 190.099379 NA MeJP NA NA +MJ005942 4-Hydroxybenzaldehyde; O-(3-Methyl-2-butenyl) C12H14O2 190.099379 NA MeJP NA NA +MJ005943 8-Decene-4,6-diyn-1-ol, Ac C12H14O2 190.099379 NA MeJP NA NA +MJ005944 Fomannoxin, 4''-Alcohol C12H14O2 190.099379 NA MeJP NA NA +MJ005945 Ligustilide C12H14O2 190.099379 NA MeJP NA NA +C06360 Propyl cinnamate C12H14O2 190.0994 NA KEGG NA NA +C06361 Anthocyanidin-3,5-diglucoside C27H29O15R2 190.0994 NA KEGG NA NA +C06362 Hydroxycinnamoyl-CoA C27H29O15R2 190.0994 NA KEGG NA NA +C06363 Anthocyanidin 3-glucoside-5-hydroxycinnamoylglucoside C27H29O15R2 190.0994 NA KEGG NA NA +C06364 1,2-Diacyl-3-O-(alpha-D-glucopyranosyl)-sn-glycerol C11H16O10R2 190.0994 NA KEGG NA NA +C06365 Glc-alpha1->2Glc-alpha1->3acyl2Gro C17H26O15R2 190.0994 NA KEGG NA NA +C08452 Ichthyotherol C12H14O2 190.0994 NA KEGG NA NA +C09017 Precocene 1 C12H14O2 190.0994 NA KEGG NA NA +C12459 3-Dimethylallyl-4-hydroxybenzaldehyde C12H14O2 190.0994 NA KEGG NA NA +C12460 3-Dimethylallyl-beta-hydroxy-L-tyrosyl-[pcp] C14H18NO3SR 190.0994 NA KEGG NA NA +C12461 L-Tyrosyl-[pcp] C9H10NO2SR 190.0994 NA KEGG NA NA +C12462 beta-Hydroxy-L-tyrosyl-[pcp] C9H10NO3SR 190.0994 NA KEGG NA NA +C12463 beta-Keto-L-tyrosyl-[pcp] C9H8NO3SR 190.0994 NA KEGG NA NA +C12464 3-Methyl-beta-keto-L-tyrosyl-[pcp] C10H10NO3SR 190.0994 NA KEGG NA NA +C12465 2-Hydroxy-3-methyl-beta-keto-L-tyrosyl-[pcp] C10H10NO4SR 190.0994 NA KEGG NA NA +C16987 Ligustilide C12H14O2 190.0994 NA KEGG NA NA +8028 synthetic peptide PHK 190.102 MH2+ Inhouse_peptide NA peptide +HMDB04224 N-(omega)-Hydroxyarginine C6H14N4O3 190.10658 http://www.hmdb.ca/metabolites/HMDB04224 HMDB NA NA +HMDB04224 N-(omega)-Hydroxyarginine C6H14N4O3 190.10658 HMDB04224 PFEM_hmdb_metabocards_official NA NA +HMDB04224 N-(o)-Hydroxyarginine C6H14N4O3 190.106583 NA HMDB2010 NA NA +MJ005946 N-(omega)-Hydroxyarginine C6H14N4O3 190.10659 NA MeJP NA NA +MJ005947 4-Hydroxyarginine C6H14N4O3 190.10659 NA MeJP NA NA +MJ005948 N5-Hydroxyarginine C6H14N4O3 190.10659 NA MeJP NA NA +C05933 N-(omega)-Hydroxyarginine C6H14N4O3 190.1066 NA KEGG NA NA +C08284 gamma-Hydroxy-L-arginine C6H14N4O3 190.1066 NA KEGG NA NA +C05659 5-Methoxytryptamine C11H14N2O 190.1106 NA KEGG NA NA +C06212 N-Methylserotonin C11H14N2O 190.1106 NA KEGG NA NA +C10763 Cytisine C11H14N2O 190.1106 NA KEGG NA NA +C13665 2-Methyl-5-hydroxytryptamine C11H14N2O 190.1106 NA KEGG NA NA +HMDB04095 5-Methoxytryptamine C11H14N2O 190.11061 http://www.hmdb.ca/metabolites/HMDB04095 PFEM_hmdb_metabocards_urine NA urine +HMDB04095 5-Methoxytryptamine C11H14N2O 190.11061 http://www.hmdb.ca/metabolites/HMDB04095 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04095 5-Methoxytryptamine C11H14N2O 190.11061 http://www.hmdb.ca/metabolites/HMDB04095 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04095 5-Methoxytryptamine C11H14N2O 190.11061 http://www.hmdb.ca/metabolites/HMDB04095 HMDB NA NA +HMDB04369 N-Methylserotonin C11H14N2O 190.11061 http://www.hmdb.ca/metabolites/HMDB04369 HMDB NA NA +HMDB04095 5-Methoxytryptamine C11H14N2O 190.11061 HMDB04095 PFEM_hmdb_metabocards_official NA NA +HMDB04369 N-Methylserotonin C11H14N2O 190.11061 HMDB04369 PFEM_hmdb_metabocards_official NA NA +HMDB04095 5-Methoxytryptamine C11H14N2O 190.110611 NA HMDB2010 NA NA +HMDB04369 N-Methylserotonin C11H14N2O 190.110611 NA HMDB2010 NA NA +MJ005949 2-Hydroxytryptamine; Nb-Me C11H14N2O 190.110613 NA MeJP NA NA +MJ005950 3-(2-Aminoethyl)-5-hydroxy-2-methylindole C11H14N2O 190.110613 NA MeJP NA NA +MJ005951 3-(2-Aminopropyl)-1H-indol-5-ol C11H14N2O 190.110613 NA MeJP NA NA +MJ005952 3-(2-Pyrrolidinyl)pyridine, N-Ac C11H14N2O 190.110613 NA MeJP NA NA +MJ005953 3-(Dimethylaminomethyl)indole; N-Oxide C11H14N2O 190.110613 NA MeJP NA NA +MJ005954 5-Hydroxytryptamine; Nb-Me C11H14N2O 190.110613 NA MeJP NA NA +MJ005955 6-Hydroxytryptamine; Me ether C11H14N2O 190.110613 NA MeJP NA NA +MJ005956 Alline C11H14N2O 190.110613 NA MeJP NA NA +MJ005957 Cytisine C11H14N2O 190.110613 NA MeJP NA NA +MJ005958 N-Methyltryptamine; Nb-Hydroxy C11H14N2O 190.110613 NA MeJP NA NA +MJ005959 5-Methoxytryptamine C11H14N2O 190.110613 NA MeJP NA NA +MJ005960 N-Methylserotonin C11H14N2O 190.110613 NA MeJP NA NA +MJ005961 Diptocarpaine; S-Deoxo C8H18N2OS 190.113983 NA MeJP NA NA +MJ005962 Crescentin IV C9H18O4 190.120509 NA MeJP NA NA +MJ005963 2,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol; 8-Ketone C13H18O 190.135765 NA MeJP NA NA +MJ005964 3,5,8-Megastigmatrien-7-one C13H18O 190.135765 NA MeJP NA NA +MJ005965 3-(4-Isopropylphenyl)-2-methylpropanal C13H18O 190.135765 NA MeJP NA NA +MJ005966 4,6,8-Megastigmatrien-3-one C13H18O 190.135765 NA MeJP NA NA +MJ005967 4,7,9-Megastigmatrien-3-one C13H18O 190.135765 NA MeJP NA NA +MJ005968 10-Fluorodecanoic acid C10H19FO2 190.136908 NA MeJP NA NA +MJ005969 3-(2-Pyrrolidinyl)pyridine, N-Isopropyl C12H18N2 190.146998 NA MeJP NA NA +MJ005970 3,5,7-Trimethyl-2,4,6,8-undecatetraene C14H22 190.17215 NA MeJP NA NA +MJ005971 Khusitene C14H22 190.17215 NA MeJP NA NA +MJ005972 Senedigitalene C14H22 190.17215 NA MeJP NA NA +MJ005973 Sesquifenchene C14H22 190.17215 NA MeJP NA NA +3352 Antihrombotic peptide WGC 190.55 MH2+ Inhouse_peptide NA peptide +8024 synthetic peptide PHE 190.576 MH2+ Inhouse_peptide NA peptide +7498 ACE inhibitor from as2-CN TVY 190.589 MH2+ Inhouse_peptide NA peptide +7479 ACE inhibitor HLL 190.613 MH2+ Inhouse_peptide NA peptide +7993 synthetic peptide LHI 190.613 MH2+ Inhouse_peptide NA peptide +7995 synthetic peptide LHL 190.613 MH2+ Inhouse_peptide NA peptide +MJ005974 2,2,2-Trichloroethanol; Urethane C3H4Cl3NO2 190.930761 NA MeJP NA NA +MJ005975 Chloralformamide C3H4Cl3NO2 190.930761 NA MeJP NA NA +MetaCyc01693 2-chloromaleylacetate [] C6H4O5CL1 190.974726 NA metacyc NA NA +MJ005976 3,5-Dichloro-4-hydroxy-2,6-dimethylpyridine C7H7Cl2NO 190.990469 NA MeJP NA NA +CJneg0301 pyrocatechol sulfate isomer [(M-H)]- (13C) C513CH5O5S 190.997525 C18rt(min)=4.88 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0301 pyrocatechol sulfate isomer [(M-H)]- (13C) C513CH5O5S 190.997525 C18rt(min)=4.88 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +HMDB06795 Thioredoxin C6H9NO2S2 191.00748 http://www.hmdb.ca/metabolites/HMDB06795 HMDB NA NA +HMDB06795 Thioredoxin C6H9NO2S2 191.00748 HMDB06795 PFEM_hmdb_metabocards_official NA NA +C17938 5,6-Indolequinone-2-carboxylic acid C9H5NO4 191.0219 NA KEGG NA NA +MJ005977 Tetrahydro-1,4-thiazine-3,5-dicarboxylic acid C6H9NO4S 191.025228 NA MeJP NA NA +CJneg0302 Creatine [(M-H)+(NaCl)]- (37Cl) C4H8Cl037ClN3NaO2 191.025725 C18rt(min)=0.93 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0302 Creatine [(M-H)+(NaCl)]- (37Cl) C4H8Cl037ClN3NaO2 191.025725 C18rt(min)=0.93 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +JH164 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H2O-CH3]+ NA 191.0339 13.56 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH164 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H2O-CH3]+ NA 191.0339 13.56 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH164 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H2O-CH3]+ NA 191.0339 13.56 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH164 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H2O-CH3]+ NA 191.0339 13.56 Inhousejuil11 NA NA +MJ005978 2-(Methylthio)-1H-indole-3-carboxaldehyde C10H9NOS 191.040484 NA MeJP NA NA +C11048 Brassicanal A C10H9NOS 191.0405 NA KEGG NA NA +MJ005979 1,4:3,6-Dianhydroglucitol, 5-Nitrate C6H9NO6 191.042987 NA MeJP NA NA +MJ005980 2-Amino-4-hydroxybutanoic acid, O-Oxaloyl C6H9NO6 191.042987 NA MeJP NA NA +MJ005981 3-Amino-1,1,3-propanetricarboxylic acid C6H9NO6 191.042987 NA MeJP NA NA +MetaCyc01694 1-carboxyglutamate [1-carboxyglutamic acid;] C6H9N1O6 191.042987 53445-96-8 metacyc NA NA +C07714 Isosorbide mononitrate C6H9NO6 191.043 NA KEGG NA NA +C08294 O-Oxalylhomoserine C6H9NO6 191.043 NA KEGG NA NA +C14695 Nitrilotriacetic acid C6H9NO6 191.043 NA KEGG NA NA +MJ005982 1-Isothiocyanato-5-(methylthio)pentane; S-Oxide C7H13NOS2 191.043855 NA MeJP NA NA +CJpos0481 Kynurenic acid [(M+H)]+ (18O) C10H8NO218O 191.046275 C18rt(min)=5.39 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0481 Kynurenic acid [(M+H)]+ (18O) C10H8NO218O 191.046275 C18rt(min)=5.39 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ005983 2,4-Diamino-5-phenylthiazole C9H9N3S 191.051717 NA MeJP NA NA +CJpos0482 Kynurenine isomer [(M+H)-(NH3)]+ C10H10NO3 191.057675 C18rt(min)=4.46 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0483 5-hydroxyindoleacetic acid [(M+H)]+ C10H10NO3 191.057675 C18rt(min)=5.68 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0482 Kynurenine isomer [(M+H)-(NH3)]+ C10H10NO3 191.057675 C18rt(min)=4.46 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0483 5-hydroxyindoleacetic acid [(M+H)]+ C10H10NO3 191.057675 C18rt(min)=5.68 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +C05635 5-Hydroxyindoleacetate C10H9NO3 191.0582 NA KEGG NA NA +C06725 5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline C10H9NO3 191.0582 NA KEGG NA NA +C16596 5-Phenyl-1,3-oxazinane-2,4-dione C10H9NO3 191.0582 NA KEGG NA NA +HMDB00763 5-Hydroxyindoleacetic acid C10H9NO3 191.05824 http://www.hmdb.ca/metabolites/HMDB00763 PFEM_hmdb_metabocards_urine NA urine +HMDB00763 5-Hydroxyindoleacetic acid C10H9NO3 191.05824 http://www.hmdb.ca/metabolites/HMDB00763 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00763 5-Hydroxyindoleacetic acid C10H9NO3 191.05824 http://www.hmdb.ca/metabolites/HMDB00763 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00763 5-Hydroxyindoleacetic acid C10H9NO3 191.05824 http://www.hmdb.ca/metabolites/HMDB00763 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00763 5-Hydroxyindoleacetic acid C10H9NO3 191.05824 http://www.hmdb.ca/metabolites/HMDB00763 HMDB NA NA +HMDB00763 5-Hydroxyindoleacetic acid C10H9NO3 191.05824 http://www.hmdb.ca/metabolites/HMDB00763 PFEM_hmdb_metabocards_blood NA blood +HMDB00763 5-Hydroxyindoleacetic acid C10H9NO3 191.05824 HMDB00763 PFEM_hmdb_metabocards_official NA NA +HMDB00763 5-Hydroxyindoleacetic acid C10H9NO3 191.058243 NA HMDB2010 NA NA +MJ005984 1,2,3,4-Tetrahydro-4-oxo-2-quinolinecarboxylic acid C10H9NO3 191.058243 NA MeJP NA NA +MJ005985 3,4-Dihydro-6,7-methylenedioxy-1(2H)-isoquinolinone C10H9NO3 191.058243 NA MeJP NA NA +MJ005986 3-(Hydroxyacetyl)-1H-indole; 5-Hydroxy C10H9NO3 191.058243 NA MeJP NA NA +MJ005987 3-Furanmethanol; O-(2-Pyrrolecarbonyl) C10H9NO3 191.058243 NA MeJP NA NA +MJ005988 4,7,8-Quinolinetriol; 8-Me ether C10H9NO3 191.058243 NA MeJP NA NA +MJ005989 5-Hydroxy-1H-indole-3-acetic acid C10H9NO3 191.058243 NA MeJP NA NA +MJ005990 6,8-Dihydroxy-3-methyl-1(2H)-isoquinolinone C10H9NO3 191.058243 NA MeJP NA NA +MJ005991 Dermadin; Me ester C10H9NO3 191.058243 NA MeJP NA NA +MJ005992 5-Hydroxyindoleacetate C10H9NO3 191.058243 NA MeJP NA NA +MetaCyc01695 indole-3-glycolate [] C10H9N1O3 191.058243 NA metacyc NA NA +MetaCyc01696 5,6-dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline [5,6-dihydroxy-3-methylhydroquinolin-2-one;] C10H9N1O3 191.058243 NA metacyc NA NA +MetaCyc01697 5-hydroxyindole acetate [] C10H9N1O3 191.058243 54-16-0 metacyc NA NA +CJneg0303 5-hydroxyindoleacetic acid [(M-H)]- C10H8NO3 191.058825 C18rt(min)=5.68 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0303 5-hydroxyindoleacetic acid [(M-H)]- C10H8NO3 191.058825 C18rt(min)=5.68 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C02712 N-Acetylmethionine C7H13NO3S 191.0616 NA KEGG NA NA +HMDB11745 N-Acetyl-L-methionine C7H13NO3S 191.061615 NA HMDB2010 NA NA +JH075 Methyl-L-histidine (3-) [M+Na]+ NA 191.0658 1.02 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH075 Methyl-L-histidine (3-) [M+Na]+ NA 191.0658 1.02 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH075 Methyl-L-histidine (3-) [M+Na]+ NA 191.0658 1.02 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH075 Methyl-L-histidine (3-) [M+Na]+ NA 191.0658 1.02 Inhousejuil11 NA NA +CJpos0484 Methylhistidine isomers [(M+Na)]+ C7H11N3NaO2 191.066475 C18rt(min)=0.78 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0484 Methylhistidine isomers [(M+Na)]+ C7H11N3NaO2 191.066475 C18rt(min)=0.78 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C10897 Carbendazim C9H9N3O2 191.0695 NA KEGG NA NA +MJ005993 1-Isothiocyanato-4-phenylbutane C11H13NS 191.07687 NA MeJP NA NA +MJ005994 2-Amino-2-deoxyxylose; ?-D-form, N-Ac C7H13NO5 191.079372 NA MeJP NA NA +MJ005995 2-Amino-2-deoxyxylose; ?-L-form, N-Ac C7H13NO5 191.079372 NA MeJP NA NA +MJ005996 2-Amino-4-hydroxyheptanedioic acid C7H13NO5 191.079372 NA MeJP NA NA +MJ005997 3-Amino-3,6-dideoxyglucose, N-Formyl C7H13NO5 191.079372 NA MeJP NA NA +MJ005998 8-Azabicyclo[3.2.1]octane-1,2,3,4,6-pentol C7H13NO5 191.079372 NA MeJP NA NA +MJ005999 Decilonitrose C7H13NO5 191.079372 NA MeJP NA NA +C16850 2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid C7H13NO5 191.0794 NA KEGG NA NA +MJ006000 4-Hydroxycitrulline C6H13N3O4 191.090605 NA MeJP NA NA +7997 synthetic peptide LHN 191.09245 MH2+ Inhouse_peptide NA peptide +MJ006001 1,2,3,4-Tetrahydro-2-methyl-6,7-methylenedioxyisoquinoline C11H13NO2 191.094628 NA MeJP NA NA +MJ006002 3,4-Dihydro-6,7-dihydroxyisoquinoline; Di-Me ether C11H13NO2 191.094628 NA MeJP NA NA +MJ006003 3-Ethyl-1,3-dihydro-3-methoxy-2H-indol-2-one C11H13NO2 191.094628 NA MeJP NA NA +MJ006004 5-Hydroxy-3-(2-hydroxyethyl)indole; 5-Me ether C11H13NO2 191.094628 NA MeJP NA NA +MJ006005 5-Methyl-6-phenyl-3-morpholinone C11H13NO2 191.094628 NA MeJP NA NA +MJ006006 Echinine C11H13NO2 191.094628 NA MeJP NA NA +MJ006007 Louisianin B C11H13NO2 191.094628 NA MeJP NA NA +MJ006008 Louisianin C; 2',3'-Dihydro, 1?-hydroxy C11H13NO2 191.094628 NA MeJP NA NA +MJ006009 N-(2-Hydroxyethyl)cinnamamide C11H13NO2 191.094628 NA MeJP NA NA +MJ006010 Rhexifoline; Deoxy C11H13NO2 191.094628 NA MeJP NA NA +MJ006011 Strobiline C11H13NO2 191.094628 NA MeJP NA NA +MJ006012 Xylaramide; (?)-(E)--form C11H13NO2 191.094628 NA MeJP NA NA +MJ006013 3,4-Dihydro-6,7-dihydroxyisoquinoline; N,O6-Di-Me C11H14NO2(+) 191.094628 NA MeJP NA NA +MJ006014 3,4-Dihydro-6,7-dihydroxyisoquinoline; N,O7-Di-Me C11H14NO2(+) 191.094628 NA MeJP NA NA +HMDB01896 5-Methoxytryptophol C11H13NO2 191.094635 NA HMDB2010 NA NA +HMDB01896 5-Methoxytryptophol C11H13NO2 191.09464 http://www.hmdb.ca/metabolites/HMDB01896 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01896 5-Methoxytryptophol C11H13NO2 191.09464 http://www.hmdb.ca/metabolites/HMDB01896 HMDB NA NA +HMDB01896 5-Methoxytryptophol C11H13NO2 191.09464 http://www.hmdb.ca/metabolites/HMDB01896 PFEM_hmdb_metabocards_blood NA blood +HMDB01896 5-Methoxytryptophol C11H13NO2 191.09464 HMDB01896 PFEM_hmdb_metabocards_official NA NA +8054 synthetic peptide RHA 191.098 MH2+ Inhouse_peptide NA peptide +C17221 Trihomomethionine C8H17NO2S 191.098 NA KEGG NA NA +MJ006015 Leucoagaricone C10H13N3O 191.105862 NA MeJP NA NA +HMDB06468 4-Hydroxydebrisoquine C10H13N3O 191.105865 NA HMDB2010 NA NA +HMDB06468 4-hydroxydebrisoquine C10H13N3O 191.10587 http://www.hmdb.ca/metabolites/HMDB06468 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06468 4-hydroxydebrisoquine C10H13N3O 191.10587 http://www.hmdb.ca/metabolites/HMDB06468 HMDB NA NA +HMDB06468 4-hydroxydebrisoquine C10H13N3O 191.10587 http://www.hmdb.ca/metabolites/HMDB06468 PFEM_hmdb_metabocards_blood NA blood +HMDB06468 4-hydroxydebrisoquine C10H13N3O 191.10587 HMDB06468 PFEM_hmdb_metabocards_official NA NA +MJ006016 2-Ethyl-6-hydroxymethyl-3,4,5-piperidinetriol C8H17NO4 191.115758 NA MeJP NA NA +MJ006017 3-Amino-3,6-dideoxyglucose, N,N-Di-Me C8H17NO4 191.115758 NA MeJP NA NA +MJ006018 4-Amino-4,6-dideoxy-3-C-methylmannose, 2-Me C8H17NO4 191.115758 NA MeJP NA NA +MJ006019 4-Amino-4,6-dideoxyglucose, N,N-Di-Me C8H17NO4 191.115758 NA MeJP NA NA +C15344 N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine C9H13N5 191.1171 NA KEGG NA NA +MetaCyc01698 cotinine methonium ion [N-methylcotininium ion;cotinine methonium ion;] C11H15N2O1 191.118438 NA metacyc NA NA +HMDB01365 Cotinine methonium ion C11H15N2O 191.118439 NA HMDB2010 NA NA +HMDB01365 Cotinine methonium ion C11H15N2O 191.11844 http://www.hmdb.ca/metabolites/HMDB01365 HMDB NA NA +HMDB01365 Cotinine methonium ion C11H15N2O 191.11844 HMDB01365 PFEM_hmdb_metabocards_official NA NA +C07904 Phendimetrazine C12H17NO 191.131 NA KEGG NA NA +C10935 N,N-Diethyl-m-toluamide C12H17NO 191.131 NA KEGG NA NA +C10938 N,N-Diethylphenylacetamide C12H17NO 191.131 NA KEGG NA NA +MJ006020 3-Amino-3,4-dihydro-2-methyl-2H-1-benzopyran, N,N-Di-Me C12H17NO 191.131014 NA MeJP NA NA +MJ006021 3-Methylbenzoic acid; Diethylamide C12H17NO 191.131014 NA MeJP NA NA +MJ006022 ?-Phenyl-2-piperidinemethanol C12H17NO 191.131014 NA MeJP NA NA +MJ006023 Indanorex C12H17NO 191.131014 NA MeJP NA NA +MJ006024 Phenylacetic acid; Diethylamide C12H17NO 191.131014 NA MeJP NA NA +MJ006025 Hippocasine; Natural-form C13H21N 191.167399 NA MeJP NA NA +MJ006026 Propyleine C13H21N 191.167399 NA MeJP NA NA +8030 synthetic peptide PHM 191.5752 MH2+ Inhouse_peptide NA peptide +7989 synthetic peptide LHD 191.58445 MH2+ Inhouse_peptide NA peptide +MJ006027 Trithionate O6S3 191.885699 NA MeJP NA NA +C01861 Trithionate S3O6 191.8857 NA KEGG NA NA +MetaCyc01699 S3O6 [(O3S.S.SO3)2-;trithionate;] O6S3 191.8857 NA metacyc NA NA +MJ006028 2-Bromo-1,1,2-trifluoroethanol, Me ether C3H4BrF3O 191.939762 NA MeJP NA NA +MJ006029 Trichloroacetaldehyde; Mono-Et acetal C4H7Cl3O2 191.951162 NA MeJP NA NA +MJ006030 Hydroxymethanediphosphonic acid CH6O7P2 191.958875 NA MeJP NA NA +MJ006031 1,4-Diisothiocyanatobenzene C8H4N2S2 191.981589 NA MeJP NA NA +MJ006032 2-Chloromaleylacetate C6H5ClO5 191.982551 NA MeJP NA NA +C06329 2-Chloromaleylacetate C6H5ClO5 191.9826 NA KEGG NA NA +C03753 2-Chloro-1,4-naphthoquinone C10H5ClO2 191.9978 NA KEGG NA NA +MJ006033 6-Chloro-4,5-dihydroxy-2-(hydroxymethyl)-2-cyclohexen-1-one C7H9ClO4 192.018936 NA MeJP NA NA +MJ006034 2-(1-Propynyl)-5-pyruvoylthiophene C10H8O2S 192.0245 NA MeJP NA NA +MJ006035 5-(2-Thienyl)-2-penten-4-ynoic acid, Me ester C10H8O2S 192.0245 NA MeJP NA NA +MJ006036 5-[(5-Methyl-2-thienyl)methylene]-2(5H)-furanone C10H8O2S 192.0245 NA MeJP NA NA +JH116 Citric acid C6H8O7 192.025 Rtobs2.57 PFEM_hmdb_metabocards_urine NA urine +JH116 Citric acid [M+H]+ C6H8O7 192.025 2.57 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH116 Citric acid C6H8O7 192.025 Rtobs2.57 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH116 Citric acid [M+H]+ C6H8O7 192.025 2.57 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH116 Citric acid C6H8O7 192.025 Rtobs2.57 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH116 Citric acid [M+H]+ C6H8O7 192.025 2.57 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH116 Citric acid C6H8O7 192.025 Rtobs2.57 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH116 Citric acid C6H8O7 192.025 Rtobs2.57 HMDB NA NA +JH116 Citric acid C6H8O7 192.025 Rtobs2.57 Inhouse_PFEM NA NA +JH116 Citric acid [M+H]+ C6H8O7 192.025 2.57 Inhousejuil11 NA NA +JH116 Citric acid C6H8O7 192.025 Rtobs2.57 PFEM_hmdb_metabocards_blood NA blood +JH116 Citric acid C6H8O7 192.025 Rtobs2.57 PFEM_hmdb_metabocards_official NA NA +CJpos0485 Citric acid [M+H]+ C6H9O7 192.026475 C18rt(min)=1.09 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0486 Citric acid [M+H]+ C6H9O7 192.026475 C18rt(min)=1.6 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0485 Citric acid [M+H]+ C6H9O7 192.026475 C18rt(min)=1.09 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0486 Citric acid [M+H]+ C6H9O7 192.026475 C18rt(min)=1.6 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +HMDB00094 Citric acid C6H8O7 192.02699 http://www.hmdb.ca/metabolites/HMDB00094 PFEM_hmdb_metabocards_urine NA urine +HMDB00193 Isocitric acid C6H8O7 192.02699 http://www.hmdb.ca/metabolites/HMDB00193 PFEM_hmdb_metabocards_urine NA urine +HMDB00094 Citric acid C6H8O7 192.02699 http://www.hmdb.ca/metabolites/HMDB00094 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00193 Isocitric acid C6H8O7 192.02699 http://www.hmdb.ca/metabolites/HMDB00193 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00094 Citric acid C6H8O7 192.02699 http://www.hmdb.ca/metabolites/HMDB00094 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00193 Isocitric acid C6H8O7 192.02699 http://www.hmdb.ca/metabolites/HMDB00193 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00094 Citric acid C6H8O7 192.02699 http://www.hmdb.ca/metabolites/HMDB00094 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00193 Isocitric acid C6H8O7 192.02699 http://www.hmdb.ca/metabolites/HMDB00193 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00094 Citric acid C6H8O7 192.02699 http://www.hmdb.ca/metabolites/HMDB00094 HMDB NA NA +HMDB00193 Isocitric acid C6H8O7 192.02699 http://www.hmdb.ca/metabolites/HMDB00193 HMDB NA NA +HMDB01874 D-threo-Isocitric acid C6H8O7 192.02699 http://www.hmdb.ca/metabolites/HMDB01874 HMDB NA NA +HMDB05971 Diketogulonic acid C6H8O7 192.02699 http://www.hmdb.ca/metabolites/HMDB05971 HMDB NA NA +HMDB06511 2,3-Dioxo-L-gulonate C6H8O7 192.02699 http://www.hmdb.ca/metabolites/HMDB06511 HMDB NA NA +HMDB00094 Citric acid C6H8O7 192.02699 http://www.hmdb.ca/metabolites/HMDB00094 PFEM_hmdb_metabocards_blood NA blood +HMDB00193 Isocitric acid C6H8O7 192.02699 http://www.hmdb.ca/metabolites/HMDB00193 PFEM_hmdb_metabocards_blood NA blood +HMDB00094 Citric acid C6H8O7 192.02699 HMDB00094 PFEM_hmdb_metabocards_official NA NA +HMDB00193 Isocitric acid C6H8O7 192.02699 HMDB00193 PFEM_hmdb_metabocards_official NA NA +HMDB01874 D-threo-Isocitric acid C6H8O7 192.02699 HMDB01874 PFEM_hmdb_metabocards_official NA NA +HMDB05971 Diketogulonic acid C6H8O7 192.02699 HMDB05971 PFEM_hmdb_metabocards_official NA NA +HMDB06511 2,3-Dioxo-L-gulonate C6H8O7 192.02699 HMDB06511 PFEM_hmdb_metabocards_official NA NA +EUR629 Citric acid [M-H]- 192.027 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR629 Citric acid [M-H]- 192.027 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR629 Citric acid [M-H]- 192.027 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR629 Citric acid [M-H]- 192.027 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00158 Citrate C6H8O7 192.027 NA KEGG NA NA +C00311 Isocitrate C6H8O7 192.027 NA KEGG NA NA +C00451 (1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate C6H8O7 192.027 NA KEGG NA NA +C00454 NDP C5H11O10P2R 192.027 NA KEGG NA NA +C00679 5-Dehydro-4-deoxy-D-glucarate C6H8O7 192.027 NA KEGG NA NA +C02780 2,5-Didehydro-D-gluconate C6H8O7 192.027 NA KEGG NA NA +C03600 Carboxymethyloxysuccinate C6H8O7 192.027 NA KEGG NA NA +C03921 2-Dehydro-3-deoxy-D-glucarate C6H8O7 192.027 NA KEGG NA NA +C03922 2-Deoxystreptamine antibiotic C6H12N2O3R2 192.027 NA KEGG NA NA +C03924 3'-Phosphooligoribonucleotide C10H18O13P2R2 192.027 NA KEGG NA NA +C04575 (4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate C6H8O7 192.027 NA KEGG NA NA +C04617 (1S,2S)-1-Hydroxypropane-1,2,3-tricarboxylate C6H8O7 192.027 NA KEGG NA NA +C04618 (3R)-3-Hydroxybutanoyl-[acyl-carrier protein] C4H7O2SR 192.027 NA KEGG NA NA +C04619 (3R)-3-Hydroxydecanoyl-[acyl-carrier protein] C10H19O2SR 192.027 NA KEGG NA NA +C04620 (3R)-3-Hydroxyoctanoyl-[acyl-carrier protein] C8H15O2SR 192.027 NA KEGG NA NA +MJ006037 (4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate C6H8O7 192.027002 NA MeJP NA NA +MJ006038 2,3-Dioxo-L-gulonate C6H8O7 192.027002 NA MeJP NA NA +MJ006039 2-Dehydro-3-deoxy-D-glucarate C6H8O7 192.027002 NA MeJP NA NA +MJ006040 5-Dehydro-4-deoxy-D-glucarate C6H8O7 192.027002 NA MeJP NA NA +MJ006041 Citrate C6H8O7 192.027002 NA MeJP NA NA +MJ006042 Isocitrate C6H8O7 192.027002 NA MeJP NA NA +MJ006043 Citric acid C6H8O7 192.027002 NA MeJP NA NA +MJ006044 Isocitric acid C6H8O7 192.027002 NA MeJP NA NA +MetaCyc01700 isocitrate [isocitric acid;D-isocitrate;threo-Ds-isocitrate;I-CIT;] C6H8O7 192.027003 320-77-4 metacyc NA NA +MetaCyc01701 carboxymethyloxysuccinate [] C6H8O7 192.027003 NA metacyc NA NA +MetaCyc01702 (4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate [] C6H8O7 192.027003 NA metacyc NA NA +MetaCyc01703 (1S,2S)-1-hydroxypropane-1,2,3-tricarboxylate [] C6H8O7 192.027003 NA metacyc NA NA +MetaCyc01704 (1R, 2S)-1-hydroxypropane-1,2,3-tricarboxylate [isocitric acid;D-threo-isocitric acid;] C6H8O7 192.027003 NA metacyc NA NA +MetaCyc01705 citrate [citr;cit;citric acid;2-hydroxy-1,2,3-propanetricarboxylic acid;] C6H8O7 192.027003 77-92-9 metacyc NA NA +MetaCyc01706 5-keto-4-deoxy-D-glucarate [5-dehydro-4-deoxy-D-glucarate;] C6H8O7 192.027003 NA metacyc NA NA +MetaCyc01707 2,5-didehydro-D-gluconate [2,5-diketo-D-gluconate;2,5-diketogluconic acid;2-dehydro-L-idonate;] C6H8O7 192.027003 NA metacyc NA NA +MetaCyc01708 2-keto-3-deoxy-D-glucarate [2-dehydro-3-deoxy-D-glucarate;2-keto-3-deoxy-glucarate;] C6H8O7 192.027003 NA metacyc NA NA +MetaCyc01709 2,3-diketo-L-gulonate [2,3-Dioxo-L-gulonate;] C6H8O7 192.027003 583-08-4 metacyc NA NA +EUR629 Citric acid NA 192.027005 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +EUR629 Citric acid NA 192.027005 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR629 Citric acid NA 192.027005 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR629 Citric acid NA 192.027005 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR629 Citric acid NA 192.027005 identifiés dans standard mixture NuGO HMDB NA NA +EUR629 Citric acid NA 192.027005 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +EUR629 Citric acid NA 192.027005 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR629 Citric acid NA 192.027005 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +HMDB00094 Citric acid C6H8O7 192.027008 NA HMDB2010 NA NA +HMDB00193 Isocitric acid C6H8O7 192.027008 NA HMDB2010 NA NA +HMDB01874 D-threo-Isocitric acid C6H8O7 192.027008 NA HMDB2010 NA NA +HMDB05971 Diketogulonic acid C6H8O7 192.027008 NA HMDB2010 NA NA +HMDB06511 2,3-Diketo-L-gulonate C6H8O7 192.027008 NA HMDB2010 NA NA +EUR555 Citric acid NA 192.027025 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR555 Citric acid [M-H]- 192.027025 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR555 Citric acid NA 192.027025 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR555 Citric acid [M-H]- 192.027025 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR555 Citric acid NA 192.027025 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR555 Citric acid [M-H]- 192.027025 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR555 Citric acid NA 192.027025 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR555 Citric acid NA 192.027025 identifiés dans sérum NuGO HMDB NA NA +EUR555 Citric acid NA 192.027025 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR555 Citric acid [M-H]- 192.027025 identifies dans serum NuGO Inhousejuil11 NA NA +EUR555 Citric acid NA 192.027025 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR555 Citric acid NA 192.027025 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +CJneg0306 ?-Ketoglutaric acid [(M-H)+(HCOOH)]- C6H7O7 192.027125 C18rt(min)=1.03 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0306 ?-Ketoglutaric acid [(M-H)+(HCOOH)]- C6H7O7 192.027125 C18rt(min)=1.03 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0304 Citric acid [M-H]- C6H7O7 192.027525 C18rt(min)=1.6 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0305 Citric acid [M-H]- C6H7O7 192.027525 C18rt(min)=1.09 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0304 Citric acid [M-H]- C6H7O7 192.027525 C18rt(min)=1.6 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0305 Citric acid [M-H]- C6H7O7 192.027525 C18rt(min)=1.09 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ006045 2-Hydroxychromene-2-carboxylate C10H8O4 192.042258 NA MeJP NA NA +MJ006046 Scopoletin C10H8O4 192.042258 NA MeJP NA NA +MJ006047 trans-O-Hydroxybenzylidenepyruvate C10H8O4 192.042258 NA MeJP NA NA +MJ006048 10-Hydroxy-2,8-decadiene-4,6-diynoic acid, 8,9-Epoxide C10H8O4 192.042258 NA MeJP NA NA +MJ006049 2,10-Dihydroxy-4,6,8-decatriynoic acid C10H8O4 192.042258 NA MeJP NA NA +MJ006050 2-Decene-4,6-diynedioic acid C10H8O4 192.042258 NA MeJP NA NA +MJ006051 2-Methyl-6-methoxy-4,7-benzofurandione C10H8O4 192.042258 NA MeJP NA NA +MJ006052 3,7-Dihydroxy-2H-1-benzopyran-2-one; 7-Me ether C10H8O4 192.042258 NA MeJP NA NA +MJ006053 3-(3,4-Methylenedioxyphenyl)propenoic acid C10H8O4 192.042258 NA MeJP NA NA +MJ006054 4-Hydroxy-5-benzofurancarboxylic acid; Me ether C10H8O4 192.042258 NA MeJP NA NA +MJ006055 5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one C10H8O4 192.042258 NA MeJP NA NA +MJ006056 5,7-Dihydroxy-2H-1-benzopyran-2-one; 7-Me ether C10H8O4 192.042258 NA MeJP NA NA +MJ006057 5,7-Dihydroxy-4H-1-benzopyran-4-one; 7-Me ether C10H8O4 192.042258 NA MeJP NA NA +MJ006058 5-Hydroxy-4-(4-hydroxyphenyl)-2(5H)-furanone C10H8O4 192.042258 NA MeJP NA NA +MJ006059 6,7-Dihydroxy-4H-1-benzopyran-4-one; 6-Me ether C10H8O4 192.042258 NA MeJP NA NA +MJ006060 6,8-Dihydroxy-3-methyl-1H-2-benzopyran-1-one C10H8O4 192.042258 NA MeJP NA NA +MJ006061 6-Hydroxy-3-methylene-1,4-benzodioxin-2(3H)-one; Me ether C10H8O4 192.042258 NA MeJP NA NA +MJ006062 6-Hydroxy-7-methoxy-2H-1-benzopyran-2-one C10H8O4 192.042258 NA MeJP NA NA +MJ006063 6-Methoxy-3-methyl-4,5-isobenzofurandione C10H8O4 192.042258 NA MeJP NA NA +MJ006064 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-Me ether C10H8O4 192.042258 NA MeJP NA NA +MJ006065 7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-Me ether C10H8O4 192.042258 NA MeJP NA NA +MJ006066 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one C10H8O4 192.042258 NA MeJP NA NA +MJ006067 Anemonin C10H8O4 192.042258 NA MeJP NA NA +MetaCyc01710 1,3,6,8-naphthalenetetrol [1,3,6,8-tetrahydroxynaphthalene;] C10H8O4 192.042259 18512-30-6 metacyc NA NA +MetaCyc01711 scopoletin [] C10H8O4 192.042259 NA metacyc NA NA +MetaCyc01712 trans-O-hydroxybenzylidenepyruvate [tHBPA;] C10H8O4 192.042259 NA metacyc NA NA +MetaCyc01713 2-hydroxychromene-2-carboxylate [HCCA;] C10H8O4 192.042259 NA metacyc NA NA +MetaCyc01714 cis-O-hydroxybenzylidenepyruvate [cHBPA;] C10H8O4 192.042259 NA metacyc NA NA +MetaCyc01715 2-hydroxy-4-(2'-oxo-3,5-cyclohexadienyl)-buta-2,4-dienoate [] C10H8O4 192.042259 NA metacyc NA NA +MetaCyc01716 5,7-dihydroxy-2-methylchromone [] C10H8O4 192.042259 NA metacyc NA NA +C01752 Scopoletin C10H8O4 192.0423 NA KEGG NA NA +C01938 Naphthazarin C10H8O4 192.0423 NA KEGG NA NA +C01939 Neutral salt C10H8O4 192.0423 NA KEGG NA NA +C03830 3,4-Dehydro-6-hydroxymellein C10H8O4 192.0423 NA KEGG NA NA +C04033 1,3,6,8-Naphthalenetetrol C10H8O4 192.0423 NA KEGG NA NA +C04034 1,6-beta-D-Galactosylgalactogen C12H22O11 192.0423 NA KEGG NA NA +C06203 trans-O-Hydroxybenzylidenepyruvate C10H8O4 192.0423 NA KEGG NA NA +C06204 2-Hydroxychromene-2-carboxylate C10H8O4 192.0423 NA KEGG NA NA +C10290 Acamelin C10H8O4 192.0423 NA KEGG NA NA +C16913 Anemonin C10H8O4 192.0423 NA KEGG NA NA +C18077 Methylenedioxycinnamic acid C10H8O4 192.0423 NA KEGG NA NA +C18079 Isoscopoletin C10H8O4 192.0423 NA KEGG NA NA +MJ006068 Lofemizole C10H9ClN2 192.045426 NA MeJP NA NA +MJ006069 Erysulfide; S-Dioxide C7H12O4S 192.045629 NA MeJP NA NA +C15348 6-(Allylthio)purine C8H8N4S 192.047 NA KEGG NA NA +MJ006070 N-Alanylcysteine; D-L-form C6H12N2O3S 192.056862 NA MeJP NA NA +PJ000031 AC C6H12N2O3S 192.0569 NA PeJP NA NA +CJpos0487 5-hydroxyindoleacetic acid [(M+H)]+ (13C) C913CH10NO3 192.061075 C18rt(min)=5.68 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0487 5-hydroxyindoleacetic acid [(M+H)]+ (13C) C913CH10NO3 192.061075 C18rt(min)=5.68 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ006071 D-Galactono-1,4-lactone C7H12O6 192.063388 NA MeJP NA NA +MJ006072 3-Dehydro-L-gulonate C7H12O6 192.063388 NA MeJP NA NA +MJ006073 4-Hydroxy-2-oxo-heptandioate C7H12O6 192.063388 NA MeJP NA NA +MJ006074 Quinate C7H12O6 192.063388 NA MeJP NA NA +MJ006075 Quinic acid C7H12O6 192.063388 NA MeJP NA NA +MJ006076 Riburonic acid; ?-D-Furanose-form, Me glycoside, Me ester C7H12O6 192.063388 NA MeJP NA NA +MetaCyc01717 quinate [L-quinate;quinic acid;] C7H12O6 192.063388 77-95-2 metacyc NA NA +MetaCyc01718 5D-5-O-methyl-2,3,5/4,6-pentahydroxycyclohexanone [] C7H12O6 192.063388 NA metacyc NA NA +MetaCyc01719 sedoheptulose anhydride [sedoheptulosan;5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;2,7-anhydro-β-D-altro-2-Heptulopyranose;] C7H12O6 192.063388 469-90-9 metacyc NA NA +HMDB03072 Quinic acid C7H12O6 192.06339 http://www.hmdb.ca/metabolites/HMDB03072 HMDB NA NA +HMDB03072 Quinic acid C7H12O6 192.06339 HMDB03072 PFEM_hmdb_metabocards_official NA NA +C00296 Quinate C7H12O6 192.0634 NA KEGG NA NA +C00297 Sulfide SR2 192.0634 NA KEGG NA NA +C00298 Trypsin SR2 192.0634 NA KEGG NA NA +C01295 2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone C7H12O6 192.0634 NA KEGG NA NA +C12113 Valiolone C7H12O6 192.0634 NA KEGG NA NA +CJneg0307 Quinic acid [(M-H)]- C7H11O6 192.063925 C18rt(min)=0.89 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0307 Quinic acid [(M-H)]- C7H11O6 192.063925 C18rt(min)=0.89 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +PJ000032 SS C6H12N2O5 192.0746 NA PeJP NA NA +MJ006077 2,3-Diamino-2,3-dideoxyglucuronic acid C6H12N2O5 192.074621 NA MeJP NA NA +C10435 Carpacin C11H12O3 192.0786 NA KEGG NA NA +C10480 Myristicin C11H12O3 192.0786 NA KEGG NA NA +C10493 Sarisan C11H12O3 192.0786 NA KEGG NA NA +C12343 Isoshinanolone C11H12O3 192.0786 NA KEGG NA NA +C14104 cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene C11H12O3 192.0786 NA KEGG NA NA +C16896 Nakitriol C11H12O3 192.0786 NA KEGG NA NA +C17840 Dehydrozingerone C11H12O3 192.0786 NA KEGG NA NA +MJ006078 1-(2,5-Dihydroxyphenyl)-3-methyl-2-buten-1-one C11H12O3 192.078644 NA MeJP NA NA +MJ006079 1-(4-Hydroxyphenyl)-2-propen-1-ol, 1-Ac C11H12O3 192.078644 NA MeJP NA NA +MJ006080 1-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-Ac C11H12O3 192.078644 NA MeJP NA NA +MJ006081 1-Methoxy-4,5-(methylenedioxy)-2-propenylbenzene C11H12O3 192.078644 NA MeJP NA NA +MJ006082 10-Hydroxy-2-decene-4,6-diynoic acid, Me ester C11H12O3 192.078644 NA MeJP NA NA +MJ006083 2,3-Dihydro-2-methyl-7-benzofurancarboxylic acid, Me ester C11H12O3 192.078644 NA MeJP NA NA +MJ006084 2,3-Dihydro-5-hydroxy-2-methyl-4H-1-benzopyran-4-one, Me ether C11H12O3 192.078644 NA MeJP NA NA +MJ006085 2,3-Dihydro-6-hydroxy-2,2-dimethyl-4H-1-benzopyran-4-one C11H12O3 192.078644 NA MeJP NA NA +MJ006086 2,4-Diacetylphenol; Me ether C11H12O3 192.078644 NA MeJP NA NA +MJ006087 3,4-Dihydro-4,5-dihydroxy-2-methyl-1(2H)-naphthalenone C11H12O3 192.078644 NA MeJP NA NA +MJ006088 3,4-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one C11H12O3 192.078644 NA MeJP NA NA +MJ006089 3,4-Dihydro-8-hydroxy-3,5-dimethyl-1H-2-benzopyran-1-one C11H12O3 192.078644 NA MeJP NA NA +MJ006090 3,4-Dihydro-8-hydroxy-3,7-dimethyl-1H-2-benzopyran-1-one C11H12O3 192.078644 NA MeJP NA NA +MJ006091 3-(2,6-Dimethoxyphenyl)-2-propenal C11H12O3 192.078644 NA MeJP NA NA +MJ006092 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3',4'-Methylene, 1-Me ether C11H12O3 192.078644 NA MeJP NA NA +MJ006093 3-(3,4-Dimethoxyphenyl)-2-propenal C11H12O3 192.078644 NA MeJP NA NA +MJ006094 3-(3-Hydroxypropyl)phthalide C11H12O3 192.078644 NA MeJP NA NA +MJ006095 3-(4-Hydroxyphenyl)-2-propenoic acid, Me ether, Me ester C11H12O3 192.078644 NA MeJP NA NA +MJ006096 4-(3,4-Dihydroxyphenyl)-2-butanone; 3,4-Didehydro, 3-Me ether C11H12O3 192.078644 NA MeJP NA NA +MJ006097 4-Hydroxy-3-(3-hydroxy-1-butynyl)benzenemethanol C11H12O3 192.078644 NA MeJP NA NA +MJ006098 4H-1-Benzopyran-6,7-diol; Di-Me ether C11H12O3 192.078644 NA MeJP NA NA +MJ006099 5-(1,2-Dihydroxypropyl)benzofuran C11H12O3 192.078644 NA MeJP NA NA +MJ006100 5-(1-Propenyl)-1,2,3-benzenetriol, 1,2-Methylene, 3-Me ether C11H12O3 192.078644 NA MeJP NA NA +MJ006101 5-Benzyldihydro-3-hydroxy-2(3H)-furanone C11H12O3 192.078644 NA MeJP NA NA +MJ006102 Asaricin C11H12O3 192.078644 NA MeJP NA NA +MJ006103 Asperpentyne C11H12O3 192.078644 NA MeJP NA NA +MJ006104 Croweacin C11H12O3 192.078644 NA MeJP NA NA +MJ006105 Isoshinanolone C11H12O3 192.078644 NA MeJP NA NA +MJ006106 Myristicin C11H12O3 192.078644 NA MeJP NA NA +MJ006107 Nakitriol C11H12O3 192.078644 NA MeJP NA NA +MJ006108 Shinanolone C11H12O3 192.078644 NA MeJP NA NA +MJ006109 Tetrahydro-6-(4-hydroxyphenyl)-2H-pyran-2-one C11H12O3 192.078644 NA MeJP NA NA +JH171 Trimethoxycinnamic acid (3,4,5-) [M+H-HCOOH]+ NA 192.0791 15.69 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH171 Trimethoxycinnamic acid (3,4,5-) [M+H-HCOOH]+ NA 192.0791 15.69 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH171 Trimethoxycinnamic acid (3,4,5-) [M+H-HCOOH]+ NA 192.0791 15.69 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH171 Trimethoxycinnamic acid (3,4,5-) [M+H-HCOOH]+ NA 192.0791 15.69 Inhousejuil11 NA NA +CJpos0488 Trans-3-hydroxycotinine [(M+H)]+ C10H13N2O2 192.089375 C18rt(min)=1.01 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0488 Trans-3-hydroxycotinine [(M+H)]+ C10H13N2O2 192.089375 C18rt(min)=1.01 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +HMDB01411 Cotinine N-oxide C10H12N2O2 192.08987 http://www.hmdb.ca/metabolites/HMDB01411 PFEM_hmdb_metabocards_urine NA urine +HMDB01390 Hydroxycotinine C10H12N2O2 192.08987 http://www.hmdb.ca/metabolites/HMDB01390 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01411 Cotinine N-oxide C10H12N2O2 192.08987 http://www.hmdb.ca/metabolites/HMDB01411 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01411 Cotinine N-oxide C10H12N2O2 192.08987 http://www.hmdb.ca/metabolites/HMDB01411 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01411 Cotinine N-oxide C10H12N2O2 192.08987 http://www.hmdb.ca/metabolites/HMDB01411 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01004 Oxoamide C10H12N2O2 192.08987 http://www.hmdb.ca/metabolites/HMDB01004 HMDB NA NA +HMDB01324 N'-Hydroxymethylnorcotinine C10H12N2O2 192.08987 http://www.hmdb.ca/metabolites/HMDB01324 HMDB NA NA +HMDB01390 Hydroxycotinine C10H12N2O2 192.08987 http://www.hmdb.ca/metabolites/HMDB01390 HMDB NA NA +HMDB01411 Cotinine N-oxide C10H12N2O2 192.08987 http://www.hmdb.ca/metabolites/HMDB01411 HMDB NA NA +HMDB01427 5'-Hydroxycotinine C10H12N2O2 192.08987 http://www.hmdb.ca/metabolites/HMDB01427 HMDB NA NA +HMDB01390 Hydroxycotinine C10H12N2O2 192.08987 http://www.hmdb.ca/metabolites/HMDB01390 PFEM_hmdb_metabocards_blood NA blood +HMDB01411 Cotinine N-oxide C10H12N2O2 192.08987 http://www.hmdb.ca/metabolites/HMDB01411 PFEM_hmdb_metabocards_blood NA blood +HMDB01004 Oxoamide C10H12N2O2 192.08987 HMDB01004 PFEM_hmdb_metabocards_official NA NA +HMDB01324 N'-Hydroxymethylnorcotinine C10H12N2O2 192.08987 HMDB01324 PFEM_hmdb_metabocards_official NA NA +HMDB01390 Hydroxycotinine C10H12N2O2 192.08987 HMDB01390 PFEM_hmdb_metabocards_official NA NA +HMDB01411 Cotinine N-oxide C10H12N2O2 192.08987 HMDB01411 PFEM_hmdb_metabocards_official NA NA +HMDB01427 5'-Hydroxycotinine C10H12N2O2 192.08987 HMDB01427 PFEM_hmdb_metabocards_official NA NA +HMDB01004 Oxoamide C10H12N2O2 192.089874 NA HMDB2010 NA NA +HMDB01324 N'-Hydroxymethylnorcotinine C10H12N2O2 192.089874 NA HMDB2010 NA NA +HMDB01390 Hydroxycotinine C10H12N2O2 192.089874 NA HMDB2010 NA NA +HMDB01411 Cotinine N-oxide C10H12N2O2 192.089874 NA HMDB2010 NA NA +HMDB01427 5'-Hydroxycotinine C10H12N2O2 192.089874 NA HMDB2010 NA NA +MJ006110 13-Nor-7(11)-dehydropilocarpine C10H12N2O2 192.089877 NA MeJP NA NA +MJ006111 3-Hydroxy-11-norcytisine C10H12N2O2 192.089877 NA MeJP NA NA +MJ006112 4-(3-Pyridinylcarbonyl)morpholine C10H12N2O2 192.089877 NA MeJP NA NA +MJ006113 Acanthicifoline C10H12N2O2 192.089877 NA MeJP NA NA +MetaCyc01720 4-oxo-4-(3-pyridyl)-N-methylbutanamide [4-(3-pyridyl)-4-oxo-N-methylbutyramide;γ-(3-pyridyl)-γ-oxo-N-methylbutyramide;] C10H12N2O2 192.089878 NA metacyc NA NA +MetaCyc01721 N'-hydroxymethyl-norcotinine [] C10H12N2O2 192.089878 NA metacyc NA NA +MetaCyc01722 cotinine N-oxide [(5s)-1-methyl-5-(1-oxido-3-pyridinyl)-2-pyrrolidinone;2-pyrrolidinone, 1-methyl-5-(1-oxido-3-pyridinyl)-, (5S)-;2-pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, N-oxide, (S)-;] C10H12N2O2 192.089878 NA metacyc NA NA +MetaCyc01723 5'-hydroxycotinine [allohydroxycotinine;] C10H12N2O2 192.089878 NA metacyc NA NA +MetaCyc01724 trans-3'-hydroxycotinine [] C10H12N2O2 192.089878 NA metacyc NA NA +C09907 Acanthicifoline C10H12N2O2 192.0899 NA KEGG NA NA +C16151 2,6-Dihydroxy-N-methylmyosmine C10H12N2O2 192.0899 NA KEGG NA NA +MJ006114 2-O-Methylxylose, 3,4-Di-Me C8H16O5 192.099773 NA MeJP NA NA +MJ006115 6-Deoxy-2,3-di-O-methylallose C8H16O5 192.099773 NA MeJP NA NA +MJ006116 6-Deoxy-3-C-methyl-2-O-methyltalose C8H16O5 192.099773 NA MeJP NA NA +MJ006117 6-Deoxy-3-C-methylmannose, 2-Me C8H16O5 192.099773 NA MeJP NA NA +MJ006118 6-Deoxy-5-C-methyl-lyxo-hexose, 4-Me C8H16O5 192.099773 NA MeJP NA NA +MJ006119 ?-Octose C8H16O5 192.099773 NA MeJP NA NA +MJ006120 Rhamnose, 2,4-Di-Me C8H16O5 192.099773 NA MeJP NA NA +MJ006121 Yersiniose C8H16O5 192.099773 NA MeJP NA NA +C11913 D-Mycinose C8H16O5 192.0998 NA KEGG NA NA +MJ006122 Rhizobitoxin, Dihydro C7H16N2O4 192.111007 NA MeJP NA NA +MJ006123 2-Iminomethyl-3-methyl-6-methylamino-9H-purine C8H12N6 192.112344 NA MeJP NA NA +C09909 Thymyl acetate C12H16O2 192.115 NA KEGG NA NA +MJ006124 11,12,13-Trinor-1(10)-spirovetivene-2,7-dione C12H16O2 192.115029 NA MeJP NA NA +MJ006125 11,12,13-Trinor-1,3,5-bisabolatrien-10-oic acid C12H16O2 192.115029 NA MeJP NA NA +MJ006126 11,12,13-Trinor-4-amorphene-3,8-dione C12H16O2 192.115029 NA MeJP NA NA +MJ006127 2,6-Decadien-4-yn-1-ol, Ac C12H16O2 192.115029 NA MeJP NA NA +MJ006128 2-(2-Hydroxy-4-methylphenyl)-3-pentanone C12H16O2 192.115029 NA MeJP NA NA +MJ006129 2-(3-Methyl-2-butenyl)-1,4-benzenediol; 4-Me ether C12H16O2 192.115029 NA MeJP NA NA +MJ006130 2-Hydroxy-6-pentylbenzyl alcohol; 1',2'-Didehydro(E-) C12H16O2 192.115029 NA MeJP NA NA +MJ006131 2-Methoxy-5-(1-propenyl)phenol, Et ether C12H16O2 192.115029 NA MeJP NA NA +MJ006132 2-Methylbutanoic acid, Benzyl ester C12H16O2 192.115029 NA MeJP NA NA +MJ006133 4-(1,3-Butadienyl)-1,2-dimethoxybenzene, 3',4'-Dihydro C12H16O2 192.115029 NA MeJP NA NA +MJ006134 5-Isopropyl-2-methylphenol; Ac C12H16O2 192.115029 NA MeJP NA NA +MJ006135 6-Hydroxy-11,12,13-trinor-1(10),7-nardosinadien-9-one C12H16O2 192.115029 NA MeJP NA NA +MJ006136 Elijopyrone D C12H16O2 192.115029 NA MeJP NA NA +MJ006137 Ibufenac C12H16O2 192.115029 NA MeJP NA NA +MJ006138 Norpechuelol; 8-Ketone C12H16O2 192.115029 NA MeJP NA NA +MJ006139 Phenylacetic acid; Butyl ester C12H16O2 192.115029 NA MeJP NA NA +MJ006140 Senkyunolide A C12H16O2 192.115029 NA MeJP NA NA +MJ006141 o-Mentha-1(7),4,8-trien-3-ol, Ac C12H16O2 192.115029 NA MeJP NA NA +3543 ACE inhibitor LRP 192.1185 MH2+ Inhouse_peptide NA peptide +7547 ACE inhibitor IRP 192.1185 MH2+ Inhouse_peptide NA peptide +MJ006142 2-Methyl-3-(2-pyrrolidinylmethoxy)pyridine C11H16N2O 192.126263 NA MeJP NA NA +MJ006143 3-[(1-Methyl-2-pyrrolidinyl)methoxy]pyridine C11H16N2O 192.126263 NA MeJP NA NA +MJ006144 Tocainide C11H16N2O 192.126263 NA MeJP NA NA +MJ006145 Virgilidone; Didehydro C11H16N2O 192.126263 NA MeJP NA NA +MJ006146 3-(Diethylcarbamoyl)-1-methylpyridinium(1+) C11H17N2O(+) 192.126263 NA MeJP NA NA +C07142 Tocainide C11H16N2O 192.1263 NA KEGG NA NA +C12286 alpha-Ionone C13H20O 192.1514 NA KEGG NA NA +C12287 beta-Ionone C13H20O 192.1514 NA KEGG NA NA +C14698 4-n-Heptylphenol C13H20O 192.1514 NA KEGG NA NA +MJ006147 1-(3,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one C13H20O 192.151415 NA MeJP NA NA +MJ006148 2,3-Diisopropyl-5-methylphenol C13H20O 192.151415 NA MeJP NA NA +MJ006149 2,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol C13H20O 192.151415 NA MeJP NA NA +MJ006150 2,4-Diisopropyl-3-methylphenol C13H20O 192.151415 NA MeJP NA NA +MJ006151 2,4-Diisopropyl-5-methylphenol C13H20O 192.151415 NA MeJP NA NA +MJ006152 2,5-Diisopropyl-3-methylphenol C13H20O 192.151415 NA MeJP NA NA +MJ006153 2,5-Diisopropyl-4-methylphenol C13H20O 192.151415 NA MeJP NA NA +MJ006154 2,5-Epoxy-6,8-megastigmadiene C13H20O 192.151415 NA MeJP NA NA +MJ006155 2,6-Diisopropyl-3-methylphenol C13H20O 192.151415 NA MeJP NA NA +MJ006156 2,7-Epoxy-4,8-megastigmadiene C13H20O 192.151415 NA MeJP NA NA +MJ006157 3,5,8-Megastigmatrien-7-one; 3,4-Dihydro C13H20O 192.151415 NA MeJP NA NA +MJ006158 3-(2,5,6,6-Tetramethyl-2-cyclohexenyl)-2-propenal C13H20O 192.151415 NA MeJP NA NA +MJ006159 4,7-Epoxy-5(11),8-megastigmadiene C13H20O 192.151415 NA MeJP NA NA +MJ006160 4,7-Megastigmadien-9-one C13H20O 192.151415 NA MeJP NA NA +MJ006161 4,8-Megastigmadien-7-one C13H20O 192.151415 NA MeJP NA NA +MJ006162 5(13),7-Megastigmadien-9-one C13H20O 192.151415 NA MeJP NA NA +MJ006163 5,7-Megastigmadien-9-one C13H20O 192.151415 NA MeJP NA NA +MJ006164 5,8-Megastigmadien-4-one C13H20O 192.151415 NA MeJP NA NA +MJ006165 5,9-Epoxy-3,6-megastigmadiene C13H20O 192.151415 NA MeJP NA NA +MJ006166 ?-Ionone C13H20O 192.151415 NA MeJP NA NA +MJ006167 Vitispirane C13H20O 192.151415 NA MeJP NA NA +MetaCyc01725 β-ionone [9-apo-β-caroten-9-one;] C13H20O1 192.151415 NA metacyc NA NA +MJ006168 2-Hexyl-3,5-dimethylpyrazine C12H20N2 192.162648 NA MeJP NA NA +MJ006169 Amiflamine C12H20N2 192.162648 NA MeJP NA NA +MJ006170 Tremorine C12H20N2 192.162648 NA MeJP NA NA +MJ006171 3-Nor-4-patchoulene C14H24 192.1878 NA MeJP NA NA +3040 Inhibitor of fibrinogen and thrombin coagulation GPRG 192.5975 MH2+ Inhouse_peptide NA peptide +MJ006172 2-Bromo-2-ethylbutanoic acid; Amide C6H12BrNO 193.010226 NA MeJP NA NA +MJ006173 1-Isothiocyanato-4-(methylthio)butane; S-Dioxide C6H11NO2S2 193.023119 NA MeJP NA NA +MJ006174 S-(Allylthio)cysteine C6H11NO2S2 193.023119 NA MeJP NA NA +MJ006175 Fosfocreatinine C4H8N3O4P 193.025242 NA MeJP NA NA +CJneg0310 ?-Ketoglutaric acid [(M-H)+(HCOOH)]- (13C) C513CH7O7 193.030425 C18rt(min)=1.03 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0310 ?-Ketoglutaric acid [(M-H)+(HCOOH)]- (13C) C513CH7O7 193.030425 C18rt(min)=1.03 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0308 Citric acid [M-H]- (13C) C5[13]CH7O7 193.030925 C18rt(min)=1.6 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0309 Citric acid [M-H]- (13C) C5[13]CH7O7 193.030925 C18rt(min)=1.09 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0308 Citric acid [M-H]- (13C) C5[13]CH7O7 193.030925 C18rt(min)=1.6 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0309 Citric acid [M-H]- (13C) C5[13]CH7O7 193.030925 C18rt(min)=1.09 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C01693 L-Dopachrome C9H7NO4 193.0375 NA KEGG NA NA +C04185 5,6-Dihydroxyindole-2-carboxylate C9H7NO4 193.0375 NA KEGG NA NA +C12468 3-Amino-4,7-dihydroxycoumarin C9H7NO4 193.0375 NA KEGG NA NA +C15566 D-Dopachrome C9H7NO4 193.0375 NA KEGG NA NA +HMDB01253 5,6-Dihydroxyindole-2-carboxylic acid C9H7NO4 193.037506 NA HMDB2010 NA NA +HMDB01430 L-Dopachrome C9H7NO4 193.037506 NA HMDB2010 NA NA +HMDB11622 D-Dopachrome C9H7NO4 193.037506 NA HMDB2010 NA NA +MJ006176 L-Dopachrome C9H7NO4 193.037507 NA MeJP NA NA +MJ006177 3,4,5,8-Quinolinetetrol C9H7NO4 193.037507 NA MeJP NA NA +MJ006178 5,6-Dihydroxy-1H-indole-2-carboxylic acid C9H7NO4 193.037507 NA MeJP NA NA +MJ006179 Antibiotic 2188 C9H7NO4 193.037507 NA MeJP NA NA +MetaCyc01726 L-dopachrome [2-L-carboxy-2,3-dihydroindole-5,6-quinone;] C9H7N1O4 193.037508 NA metacyc NA NA +MetaCyc01727 D-dopachrome [] C9H7N1O4 193.037508 NA metacyc NA NA +MetaCyc01728 5,6-dihydroxyindole-2-carboxylate [DHICA;] C9H7N1O4 193.037508 NA metacyc NA NA +HMDB01253 5,6-Dihydroxyindole-2-carboxylic acid C9H7NO4 193.03751 http://www.hmdb.ca/metabolites/HMDB01253 HMDB NA NA +HMDB01430 L-Dopachrome C9H7NO4 193.03751 http://www.hmdb.ca/metabolites/HMDB01430 HMDB NA NA +HMDB01253 5,6-Dihydroxyindole-2-carboxylic acid C9H7NO4 193.03751 HMDB01253 PFEM_hmdb_metabocards_official NA NA +HMDB01430 L-Dopachrome C9H7NO4 193.03751 HMDB01430 PFEM_hmdb_metabocards_official NA NA +MJ006180 S-(2-Carboxyethyl)cysteine C6H11NO4S 193.040878 NA MeJP NA NA +MetaCyc01729 N-acetyl-DL-methionine [acetyl-DL-methionine;] C6H11N1O4S1 193.040879 NA metacyc NA NA +C16421 AI-2 C5H10BO7 193.052 NA KEGG NA NA +MJ006181 2-Amino-2-deoxyaltruronic acid C6H11NO6 193.058637 NA MeJP NA NA +MJ006182 2-Amino-2-deoxygalacturonic acid C6H11NO6 193.058637 NA MeJP NA NA +MJ006183 2-Amino-2-deoxyglucuronic acid C6H11NO6 193.058637 NA MeJP NA NA +MJ006184 2-Amino-2-deoxyguluronic acid C6H11NO6 193.058637 NA MeJP NA NA +MJ006185 2-Amino-2-deoxymannuronic acid C6H11NO6 193.058637 NA MeJP NA NA +MJ006186 2-Amino-4,5-dihydroxyhexanedioic acid C6H11NO6 193.058637 NA MeJP NA NA +MJ006187 4-Amino-4-deoxyglucuronic acid C6H11NO6 193.058637 NA MeJP NA NA +MetaCyc01730 glucuronamide [2,3,4,5-tetrahydroxy-6-oxo-hexanamide;] C6H11N1O6 193.058637 NA metacyc NA NA +MJ006188 2-Amino-6-(hydroxymethyl)-4(1H)-pteridinone C7H7N5O2 193.059974 NA MeJP NA NA +MJ006189 Chrysopterin C7H7N5O2 193.059974 NA MeJP NA NA +MJ006190 Fervenulin C7H7N5O2 193.059974 NA MeJP NA NA +MJ006191 Reumycin; 7-Me ether C7H7N5O2 193.059974 NA MeJP NA NA +MJ006192 Toxoflavin C7H7N5O2 193.059974 NA MeJP NA NA +C16789 Toxoflavine C7H7N5O2 193.06 NA KEGG NA NA +CJneg0311 Quinic acid [(M-H)]- (13C) C613CH11O6 193.067325 C18rt(min)=0.89 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0311 Quinic acid [(M-H)]- (13C) C613CH11O6 193.067325 C18rt(min)=0.89 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0489 2-methylhippuric acid (ortho-methylhippuric acid) [(M+H)]+ C10H12NO3 193.073375 C18rt(min)=6.13 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0490 4-methylhippuric acid (para-methylhippuric acid) [(M+H)]+ C10H12NO3 193.073375 C18rt(min)=6.62 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0491 Methylhippuric acid isomer [(M+H)]+ C10H12NO3 193.073375 C18rt(min)=6.25 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0489 2-methylhippuric acid (ortho-methylhippuric acid) [(M+H)]+ C10H12NO3 193.073375 C18rt(min)=6.13 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0490 4-methylhippuric acid (para-methylhippuric acid) [(M+H)]+ C10H12NO3 193.073375 C18rt(min)=6.62 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0491 Methylhippuric acid isomer [(M+H)]+ C10H12NO3 193.073375 C18rt(min)=6.25 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +HMDB00821 Phenylacetylglycine C10H11NO3 193.07388 http://www.hmdb.ca/metabolites/HMDB00821 HMDB NA NA +HMDB00859 Methylhippuric acid C10H11NO3 193.07388 http://www.hmdb.ca/metabolites/HMDB00859 HMDB NA NA +HMDB00821 Phenylacetylglycine C10H11NO3 193.07388 HMDB00821 PFEM_hmdb_metabocards_official NA NA +HMDB00859 Methylhippuric acid C10H11NO3 193.07388 HMDB00859 PFEM_hmdb_metabocards_official NA NA +MJ006193 (4-Aminophenyl)acetic acid; N-Ac C10H11NO3 193.073893 NA MeJP NA NA +MJ006194 (N-Phenylacetyl)glycine C10H11NO3 193.073893 NA MeJP NA NA +MJ006195 3,4-Dihydro-6,7-dihydroxy-1(2H)-isoquinolinone; 6-Me ether C10H11NO3 193.073893 NA MeJP NA NA +MJ006196 3-Aminopropanoic acid; N-Benzoyl C10H11NO3 193.073893 NA MeJP NA NA +MJ006197 3-Hydroxy-4-methoxy-3-methyloxindole C10H11NO3 193.073893 NA MeJP NA NA +MJ006198 4-Aminophenol; N,O-Di-Ac C10H11NO3 193.073893 NA MeJP NA NA +MJ006199 6-Methoxy-3-(1-propenyl)-2-pyridinecarboxylic acid C10H11NO3 193.073893 NA MeJP NA NA +MJ006200 Cerpegin C10H11NO3 193.073893 NA MeJP NA NA +MJ006201 Cichorine C10H11NO3 193.073893 NA MeJP NA NA +MJ006202 Dehydrodopamine, N-Ac C10H11NO3 193.073893 NA MeJP NA NA +MJ006203 Gentianal C10H11NO3 193.073893 NA MeJP NA NA +MJ006204 Gentioflavine C10H11NO3 193.073893 NA MeJP NA NA +MJ006205 Lepiotin A C10H11NO3 193.073893 NA MeJP NA NA +MetaCyc01731 5,6-dihydrodiol-3-methyl-2-oxo-1,2-dihydroquinoline [5,6-dihydroxy-3-methyl-1,5,6-trihydroquinolin-2-one;5,6-dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline;] C10H11N1O3 193.073893 NA metacyc NA NA +HMDB00821 Phenylacetylglycine C10H11NO3 193.073898 NA HMDB2010 NA NA +HMDB00859 Methylhippuric acid C10H11NO3 193.073898 NA HMDB2010 NA NA +HMDB11723 2-Methylhippuric acid C10H11NO3 193.073898 NA HMDB2010 NA NA +HMDB13245 m-Methylhippuric acid C10H11NO3 193.073898 NA HMDB2010 NA NA +HMDB13292 p-Methylhippuric acid C10H11NO3 193.073898 NA HMDB2010 NA NA +C03450 (3-Arylcarbonyl)-alanine C10H11NO3 193.0739 NA KEGG NA NA +C05598 Phenylacetylglycine C10H11NO3 193.0739 NA KEGG NA NA +C06726 5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline C10H11NO3 193.0739 NA KEGG NA NA +C09962 Gentioflavine C10H11NO3 193.0739 NA KEGG NA NA +C10581 Cichorine C10H11NO3 193.0739 NA KEGG NA NA +C16587 3-Carbamoyl-2-phenylpropionaldehyde C10H11NO3 193.0739 NA KEGG NA NA +C16595 4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one C10H11NO3 193.0739 NA KEGG NA NA +CJneg0312 4-Methylhippuric acid / 3-Methylhippuric acid [(M-H)]- C10H10NO3 193.074425 C18rt(min)=6.62 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0313 Methylhippuric acid isomer [(M-H)]- C10H10NO3 193.074425 C18rt(min)=6.25 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0314 2-methylhippuric acid (ortho-methylhippuric acid) [(M-H)]- C10H10NO3 193.074425 C18rt(min)=6.13 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0312 4-Methylhippuric acid / 3-Methylhippuric acid [(M-H)]- C10H10NO3 193.074425 C18rt(min)=6.62 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0313 Methylhippuric acid isomer [(M-H)]- C10H10NO3 193.074425 C18rt(min)=6.25 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0314 2-methylhippuric acid (ortho-methylhippuric acid) [(M-H)]- C10H10NO3 193.074425 C18rt(min)=6.13 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ006206 5-Dimethylsulfonio 2-amino-4-hydroxypentanoate C7H15NO3S 193.077264 NA MeJP NA NA +MJ006207 4-(3,3-Dimethyl-1-triazenyl)benzoic acid C9H11N3O2 193.085126 NA MeJP NA NA +CJpos0492 Trans-3-hydroxycotinine [(M+H)]+ (15N) C10H13N15NO2 193.086375 C18rt(min)=1.01 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0492 Trans-3-hydroxycotinine [(M+H)]+ (15N) C10H13N15NO2 193.086375 C18rt(min)=1.01 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +C14417 2-Anthramine C14H11N 193.0891 NA KEGG NA NA +MJ006208 2-Methyl-6-(phenylethynyl)pyridine C14H11N 193.089149 NA MeJP NA NA +CJpos0493 Trans-3-hydroxycotinine [(M+H)]+ (13C) C913CH13N2O2 193.092675 C18rt(min)=1.01 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0493 Trans-3-hydroxycotinine [(M+H)]+ (13C) C913CH13N2O2 193.092675 C18rt(min)=1.01 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ006209 2,6-Bis(hydroxymethyl)-3,4,5-piperidinetriol C7H15NO5 193.095022 NA MeJP NA NA +MJ006210 2-(1,2-Dihydroxyethyl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine C7H15NO5 193.095022 NA MeJP NA NA +MJ006211 2-Amino-2-deoxyglucose, N-Me C7H15NO5 193.095022 NA MeJP NA NA +MJ006212 2-Amino-2-deoxygulose, N-Me C7H15NO5 193.095022 NA MeJP NA NA +MJ006213 Valiolamine C7H15NO5 193.095022 NA MeJP NA NA +MJ006214 1,3,7-Trimethylguanine C8H11N5O 193.096359 NA MeJP NA NA +MJ006215 1,3,7-Trimethylisoguanine C8H11N5O 193.096359 NA MeJP NA NA +MJ006216 Caissarone C8H11N5O 193.096359 NA MeJP NA NA +MJ006217 Herbipoline; N1-Me C8H12N5O(+) 193.09636 NA MeJP NA NA +MJ006218 Heteromine C C8H12N5O(+) 193.09636 NA MeJP NA NA +MJ006219 Heteromine D; N2-De-Me C8H12N5O(+) 193.09636 NA MeJP NA NA +MJ006220 Flutonidine C10H12FN3 193.101525 NA MeJP NA NA +3564 NA LSPA 193.1025 MH2+ Inhouse_peptide NA peptide +HMDB03626 (R)-N-Methylsalsolinol C11H15NO2 193.110275 NA HMDB2010 NA NA +HMDB03892 (S)-N-Methylsalsolinol C11H15NO2 193.110275 NA HMDB2010 NA NA +MJ006221 1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline C11H15NO2 193.110278 NA MeJP NA NA +MJ006222 1,2,3,4-Tetrahydro-6-hydroxy-7-methoxy-1-methylisoquinoline C11H15NO2 193.110278 NA MeJP NA NA +MJ006223 1,2,3,4-Tetrahydro-6-hydroxy-7-methoxy-2-methylisoquinoline C11H15NO2 193.110278 NA MeJP NA NA +MJ006224 1,2,3,4-Tetrahydro-7,8-dihydroxyisoquinoline; 7-Me ether, N-Me C11H15NO2 193.110278 NA MeJP NA NA +MJ006225 1,2,3,4-Tetrahydro-7,8-dimethoxyisoquinoline C11H15NO2 193.110278 NA MeJP NA NA +MJ006226 1,2,3,4-Tetrahydro-7-hydroxy-5-methoxy-2-methylisoquinoline C11H15NO2 193.110278 NA MeJP NA NA +MJ006227 1,2,3,4-Tetrahydro-7-hydroxy-6-methoxy-1-methylisoquinoline C11H15NO2 193.110278 NA MeJP NA NA +MJ006228 1,2,3,4-Tetrahydro-8-hydroxy-7-methoxy-1-methylisoquinoline C11H15NO2 193.110278 NA MeJP NA NA +MJ006229 2-Amino-2-phenylpropanoic acid, N,N-Di-Me C11H15NO2 193.110278 NA MeJP NA NA +MJ006230 3-(Ethoxymethyl)-6,7-dihydro-8(5H)-indolizinone C11H15NO2 193.110278 NA MeJP NA NA +MJ006231 4-Aminobenzoic acid; 2-Methylpropyl ester C11H15NO2 193.110278 NA MeJP NA NA +MJ006232 4-Aminobenzoic acid; Butyl ester C11H15NO2 193.110278 NA MeJP NA NA +MJ006233 Corypalline C11H15NO2 193.110278 NA MeJP NA NA +MJ006234 Exepanol C11H15NO2 193.110278 NA MeJP NA NA +MJ006235 Methoxyphedrine C11H15NO2 193.110278 NA MeJP NA NA +MJ006236 N,?-Dimethyl-3,4-(methylenedioxy)phenethylamine C11H15NO2 193.110278 NA MeJP NA NA +MJ006237 Phenylalanine, N,N-Di-Me C11H15NO2 193.110278 NA MeJP NA NA +MJ006238 Strobiline; 10,11-Dihydro C11H15NO2 193.110278 NA MeJP NA NA +HMDB03626 (R)-N-Methylsalsolinol C11H15NO2 193.11028 http://www.hmdb.ca/metabolites/HMDB03626 HMDB NA NA +HMDB03892 (S)-N-Methylsalsolinol C11H15NO2 193.11028 http://www.hmdb.ca/metabolites/HMDB03892 HMDB NA NA +HMDB03626 (R)-N-Methylsalsolinol C11H15NO2 193.11028 HMDB03626 PFEM_hmdb_metabocards_official NA NA +HMDB03892 (S)-N-Methylsalsolinol C11H15NO2 193.11028 HMDB03892 PFEM_hmdb_metabocards_official NA NA +C07577 3,4-Methylenedioxymethamphetamine C11H15NO2 193.1103 NA KEGG NA NA +C07875 Butamben C11H15NO2 193.1103 NA KEGG NA NA +C09460 Heliamine C11H15NO2 193.1103 NA KEGG NA NA +C09640 (-)-Salsoline C11H15NO2 193.1103 NA KEGG NA NA +EUR427 Deoxyuridine F4 F4 193.110475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR427 Deoxyuridine F4 NA 193.110475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR427 Deoxyuridine F4 F4 193.110475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR427 Deoxyuridine F4 NA 193.110475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR427 Deoxyuridine F4 F4 193.110475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR427 Deoxyuridine F4 NA 193.110475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR427 Deoxyuridine F4 F4 193.110475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR427 Deoxyuridine F4 F4 193.110475 standards wishlist analysés sur QTOF HMDB NA NA +EUR427 Deoxyuridine F4 F4 193.110475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR427 Deoxyuridine F4 NA 193.110475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR427 Deoxyuridine F4 F4 193.110475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR427 Deoxyuridine F4 F4 193.110475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR318 Xanthine F2 F2 193.111875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR318 Xanthine F2 NA 193.111875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR318 Xanthine F2 F2 193.111875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR318 Xanthine F2 NA 193.111875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR318 Xanthine F2 F2 193.111875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR318 Xanthine F2 NA 193.111875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR318 Xanthine F2 F2 193.111875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR318 Xanthine F2 F2 193.111875 standards wishlist analysés sur QTOF HMDB NA NA +EUR318 Xanthine F2 F2 193.111875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR318 Xanthine F2 NA 193.111875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR318 Xanthine F2 F2 193.111875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR318 Xanthine F2 F2 193.111875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ006239 (3-Phenoxypropyl)guanidine C10H15N3O 193.121512 NA MeJP NA NA +MJ006240 Sabcomeline C10H15N3O 193.121512 NA MeJP NA NA +3528 ACE inhibitor LVR 193.1265 MH2+ Inhouse_peptide NA peptide +MJ006241 Alvameline C9H15N5 193.132745 NA MeJP NA NA +MJ006242 2,4,6-Dodecatrienoic acid, Amide C12H19NO 193.146664 NA MeJP NA NA +MJ006243 Elaeokanine A C12H19NO 193.146664 NA MeJP NA NA +MJ006244 Etafedrine C12H19NO 193.146664 NA MeJP NA NA +MJ006245 2-(4-Methoxyphenyl)ethylamine; N,N,N-Tri-Me C12H20NO(+) 193.146664 NA MeJP NA NA +MJ006246 5,6,7,8-Tetrahydro-5-methyl-2-propylquinoline; 1,4,4a,8a-Tetrahydro C13H23N 193.183049 NA MeJP NA NA +MJ006247 Dodecahydro-2-methylpyrido[2,1,6-de]quinolizine C13H23N 193.183049 NA MeJP NA NA +MJ006248 1-Boratricyclo[3.3.1.13,7]decane; NMe3 complex C12H24BN 193.20018 NA MeJP NA NA +3714 ACE inhibitor LQQ 193.6 MH2+ Inhouse_peptide NA peptide +7862 peptide from prawn muscle (Penaeus japonicus) IKK 193.636 MH2+ Inhouse_peptide NA peptide +MJ006249 1,1,3,3-Tetrachloro-2-propanone C3H2Cl4O 193.885975 NA MeJP NA NA +MJ006250 3-Bromo-1,1,2,2-tetrafluoropropane C3H3BrF4 193.935425 NA MeJP NA NA +CJneg0315 Glycerol Phosphate [(M-2H+Na)]- C3H7NaO6P 193.996125 C18rt(min)=0.9 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0315 Glycerol Phosphate [(M-2H+Na)]- C3H7NaO6P 193.996125 C18rt(min)=0.9 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C12836 2-Chloro-3-oxoadipate C6H7ClO5 193.9982 NA KEGG NA NA +MJ006251 3-Mercapto-2-(mercaptomethyl)propanoic acid; S-Ac C6H10O3S2 194.007135 NA MeJP NA NA +MJ006252 Acivicin, 4S-Hydroxy C5H7ClN2O4 194.009434 NA MeJP NA NA +MJ006253 3,6,7-Trihydroxy-2H-1-benzopyran-2-one C9H6O5 194.021523 NA MeJP NA NA +MJ006254 6,7,8-Trihydroxy-2H-1-benzopyran-2-one C9H6O5 194.021523 NA MeJP NA NA +MJ006255 Stipitalide C9H6O5 194.021523 NA MeJP NA NA +MJ006256 5,5'-Dimethyl-2,2'-bithiophene C10H10S2 194.022391 NA MeJP NA NA +MJ006257 1-(Methylthio)propyl 1-propenyl disulfide C7H14S3 194.025762 NA MeJP NA NA +MJ006258 3,5-Dialkyl-1,2,4-trithiolanes; 3-Methyl-5-(2-methylpropyl)-1,2,4-trithiolane C7H14S3 194.025762 NA MeJP NA NA +MJ006259 Methyl 1-(1-propenylthio)propyl disulfide C7H14S3 194.025762 NA MeJP NA NA +MJ006260 1,6-Dichloro-2-methyl-1,5-heptadien-3-ol C8H12Cl2O 194.02652 NA MeJP NA NA +CJneg0316 Imidazoleacetic acid isomers [(M-H)+(HCOONa)]- C6H6N2NaO4 194.030925 C18rt(min)=0.94 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0316 Imidazoleacetic acid isomers [(M-H)+(HCOONa)]- C6H6N2NaO4 194.030925 C18rt(min)=0.94 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0317 Citric acid [M-H]- (18O) C6H7O6[18]O 194.031825 C18rt(min)=1.6 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0318 Citric acid [M-H]- (18O) C6H7O6[18]O 194.031825 C18rt(min)=1.09 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0317 Citric acid [M-H]- (18O) C6H7O6[18]O 194.031825 C18rt(min)=1.6 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0318 Citric acid [M-H]- (18O) C6H7O6[18]O 194.031825 C18rt(min)=1.09 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ006261 Cremeomycin C8H6N2O4 194.032756 NA MeJP NA NA +MJ006262 2-Acetyl-3-hydroxy-5-(1-propynyl)thiophene; Me ether C10H10O2S 194.04015 NA MeJP NA NA +MJ006263 2-Hydroxy-1-[5-(1-propynyl)-2-thienyl]-1-propanone C10H10O2S 194.04015 NA MeJP NA NA +HMDB00127 D-Glucuronic acid C6H10O7 194.042648 NA HMDB2010 NA NA +HMDB02545 Galacturonic acid C6H10O7 194.042648 NA HMDB2010 NA NA +HMDB02704 Iduronic acid C6H10O7 194.042648 NA HMDB2010 NA NA +HMDB03363 Pectic acid C6H10O7 194.042648 NA HMDB2010 NA NA +HMDB03402 Pectin C6H10O7 194.042648 NA HMDB2010 NA NA +HMDB06334 3-Dehydro-L-gulonate C6H10O7 194.042648 NA HMDB2010 NA NA +HMDB11731 5-Keto-D-gluconate C6H10O7 194.042648 NA HMDB2010 NA NA +HMDB11732 2-Keto-L-gluconate C6H10O7 194.042648 NA HMDB2010 NA NA +HMDB00127 D-Glucuronic acid C6H10O7 194.04265 http://www.hmdb.ca/metabolites/HMDB00127 PFEM_hmdb_metabocards_urine NA urine +HMDB02704 Iduronic acid C6H10O7 194.04265 http://www.hmdb.ca/metabolites/HMDB02704 PFEM_hmdb_metabocards_urine NA urine +LABER035 Glucuronic acid NA 194.04265 NA PFEM_hmdb_metabocards_urine NA urine +LABER035 Glucuronic acid NA 194.04265 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00127 D-Glucuronic acid C6H10O7 194.04265 http://www.hmdb.ca/metabolites/HMDB00127 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER035 Glucuronic acid NA 194.04265 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00127 D-Glucuronic acid C6H10O7 194.04265 http://www.hmdb.ca/metabolites/HMDB00127 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02704 Iduronic acid C6H10O7 194.04265 http://www.hmdb.ca/metabolites/HMDB02704 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER035 Glucuronic acid NA 194.04265 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00127 D-Glucuronic acid C6H10O7 194.04265 http://www.hmdb.ca/metabolites/HMDB00127 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02704 Iduronic acid C6H10O7 194.04265 http://www.hmdb.ca/metabolites/HMDB02704 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00127 D-Glucuronic acid C6H10O7 194.04265 http://www.hmdb.ca/metabolites/HMDB00127 HMDB NA NA +HMDB02545 Galacturonic acid C6H10O7 194.04265 http://www.hmdb.ca/metabolites/HMDB02545 HMDB NA NA +HMDB02704 Iduronic acid C6H10O7 194.04265 http://www.hmdb.ca/metabolites/HMDB02704 HMDB NA NA +HMDB03363 Pectic acid C6H10O7 194.04265 http://www.hmdb.ca/metabolites/HMDB03363 HMDB NA NA +HMDB03402 Pectin C6H10O7 194.04265 http://www.hmdb.ca/metabolites/HMDB03402 HMDB NA NA +HMDB06334 3-Dehydro-L-gulonate C6H10O7 194.04265 http://www.hmdb.ca/metabolites/HMDB06334 HMDB NA NA +LABER035 Glucuronic acid NA 194.04265 NA HMDB NA NA +LABER035 Glucuronic acid NA 194.04265 NA Inhouse_PFEM NA NA +LABER035 Glucuronic acid NA 194.04265 NA Inhousejuil11 NA NA +HMDB00127 D-Glucuronic acid C6H10O7 194.04265 http://www.hmdb.ca/metabolites/HMDB00127 PFEM_hmdb_metabocards_blood NA blood +LABER035 Glucuronic acid NA 194.04265 NA PFEM_hmdb_metabocards_blood NA blood +LABER035 Glucuronic acid NA 194.04265 NA PFEM_hmdb_metabocards_official NA NA +HMDB00127 D-Glucuronic acid C6H10O7 194.04265 HMDB00127 PFEM_hmdb_metabocards_official NA NA +HMDB02545 Galacturonic acid C6H10O7 194.04265 HMDB02545 PFEM_hmdb_metabocards_official NA NA +HMDB02704 Iduronic acid C6H10O7 194.04265 HMDB02704 PFEM_hmdb_metabocards_official NA NA +HMDB03363 Pectic acid C6H10O7 194.04265 HMDB03363 PFEM_hmdb_metabocards_official NA NA +HMDB03402 Pectin C6H10O7 194.04265 HMDB03402 PFEM_hmdb_metabocards_official NA NA +HMDB06334 3-Dehydro-L-gulonate C6H10O7 194.04265 HMDB06334 PFEM_hmdb_metabocards_official NA NA +MJ006264 Galacturonic acid; ?-D-Pyranose-form C6H10O7 194.042652 NA MeJP NA NA +MJ006265 Galacturonic acid C6H10O7 194.042652 NA MeJP NA NA +MJ006266 Glucuronic acid C6H10O7 194.042652 NA MeJP NA NA +MJ006267 Guluronic acid C6H10O7 194.042652 NA MeJP NA NA +MJ006268 Iduronic acid C6H10O7 194.042652 NA MeJP NA NA +MJ006269 Mannuronic acid C6H10O7 194.042652 NA MeJP NA NA +MJ006270 arabino-2-Hexulosonic acid C6H10O7 194.042652 NA MeJP NA NA +MJ006271 xylo-2-Hexulosonic acid C6H10O7 194.042652 NA MeJP NA NA +MJ006272 xylo-5-Hexulosonic acid C6H10O7 194.042652 NA MeJP NA NA +MJ006273 2-Dehydro-D-gluconate C6H10O7 194.042652 NA MeJP NA NA +MJ006274 D-Fructuronate C6H10O7 194.042652 NA MeJP NA NA +MJ006275 D-Galacturonate C6H10O7 194.042652 NA MeJP NA NA +MJ006276 D-Glucuronate C6H10O7 194.042652 NA MeJP NA NA +MJ006277 D-Tagaturonate C6H10O7 194.042652 NA MeJP NA NA +MetaCyc01732 glucuronate [D-glucuronate;glucuronic acid;D-glucuronic acid;] C6H10O7 194.042653 576-37-4 metacyc NA NA +MetaCyc01733 fructuronate [D-fructuronate;] C6H10O7 194.042653 669-90-9 metacyc NA NA +MetaCyc01734 D-tagaturonate [tagaturonate;] C6H10O7 194.042653 NA metacyc NA NA +MetaCyc01735 galacturonate [D-galacturonate;D-galaturonate;galaturonate;D-galacturonic acid;] C6H10O7 194.042653 685-73-4 metacyc NA NA +MetaCyc01736 2-dehydro-D-gluconate [2-dehydro-L-gulonate;2-keto-L-gulonate;2-keto-D-gluconate;2KDG;] C6H10O7 194.042653 NA metacyc NA NA +MetaCyc01737 D-Mannuronate [D-Mannuronic acid;] C6H10O7 194.042653 1986-14-7 metacyc NA NA +MetaCyc01738 5-keto-D-gluconic acid [5-dehydrogluconate;5-dehydro-D-gluconate;] C6H10O7 194.042653 NA metacyc NA NA +MetaCyc01739 5-ketogluconate [5-dehydro-D-gluconate;5-keto-D-gluconate;5-k-gluconate;] C6H10O7 194.042653 NA metacyc NA NA +MetaCyc01740 5-dehydrogluconate [] C6H10O7 194.042653 NA metacyc NA NA +MetaCyc01741 3-keto-L-gulonate [3-dehydro-L-gulonate;] C6H10O7 194.042653 NA metacyc NA NA +MetaCyc01742 iduronate [] C6H10O7 194.042653 NA metacyc NA NA +MetaCyc01743 3-keto-D-gulonate [3-dehydro-D-gulonate;] C6H10O7 194.042653 NA metacyc NA NA +C00191 D-Glucuronate C6H10O7 194.0427 NA KEGG NA NA +C00333 D-Galacturonate C6H10O7 194.0427 NA KEGG NA NA +C00558 D-Tagaturonate C6H10O7 194.0427 NA KEGG NA NA +C00618 3-Dehydro-L-gulonate C6H10O7 194.0427 NA KEGG NA NA +C00905 D-Fructuronate C6H10O7 194.0427 NA KEGG NA NA +C01062 5-Dehydro-D-gluconate C6H10O7 194.0427 NA KEGG NA NA +C02024 D-Mannuronate C6H10O7 194.0427 NA KEGG NA NA +C03342 2-Dehydro-D-galactonate C6H10O7 194.0427 NA KEGG NA NA +C06472 L-Iduronic acid C6H10O7 194.0427 NA KEGG NA NA +C06473 2-Keto-D-gluconic acid C6H10O7 194.0427 NA KEGG NA NA +C06477 L-Guluronic acid C6H10O7 194.0427 NA KEGG NA NA +C08348 Galacturonic acid C6H10O7 194.0427 NA KEGG NA NA +C08350 beta-D-Glucopyranuronic acid C6H10O7 194.0427 NA KEGG NA NA +C15673 2-Dehydro-L-idonate C6H10O7 194.0427 NA KEGG NA NA +C16245 D-Glucuronic acid C6H10O7 194.0427 NA KEGG NA NA +CJneg0319 Glucuronic acid (and isomers) [(M-H)]- C6H9O7 194.043225 C18rt(min)=0.85 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0319 Glucuronic acid (and isomers) [(M-H)]- C6H9O7 194.043225 C18rt(min)=0.85 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ006278 6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione C7H6N4O3 194.04399 NA MeJP NA NA +MJ006279 Luciopterin C7H6N4O3 194.04399 NA MeJP NA NA +MJ006280 Temozolomide C6H6N6O2 194.055223 NA MeJP NA NA +JH123 Ferulic acid C10H10O4 194.0573 Rtobs13.89 PFEM_hmdb_metabocards_urine NA urine +JH123 Ferulic acid [M+H]+ C10H10O4 194.0573 13.89 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH123 Ferulic acid C10H10O4 194.0573 Rtobs13.89 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH123 Ferulic acid [M+H]+ C10H10O4 194.0573 13.89 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH123 Ferulic acid C10H10O4 194.0573 Rtobs13.89 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH123 Ferulic acid [M+H]+ C10H10O4 194.0573 13.89 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH123 Ferulic acid C10H10O4 194.0573 Rtobs13.89 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH123 Ferulic acid C10H10O4 194.0573 Rtobs13.89 HMDB NA NA +JH123 Ferulic acid C10H10O4 194.0573 Rtobs13.89 Inhouse_PFEM NA NA +JH123 Ferulic acid [M+H]+ C10H10O4 194.0573 13.89 Inhousejuil11 NA NA +JH123 Ferulic acid C10H10O4 194.0573 Rtobs13.89 PFEM_hmdb_metabocards_blood NA blood +JH123 Ferulic acid C10H10O4 194.0573 Rtobs13.89 PFEM_hmdb_metabocards_official NA NA +CJpos0494 Isoferulic acid [(M+H)]+ C10H11O4 194.057375 C18rt(min)=6.64 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0495 Monoethyl phthalate [(M+H)]+ C10H11O4 194.057375 C18rt(min)=7.45 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0494 Isoferulic acid [(M+H)]+ C10H11O4 194.057375 C18rt(min)=6.64 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0495 Monoethyl phthalate [(M+H)]+ C10H11O4 194.057375 C18rt(min)=7.45 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C00779 Scytalone C10H10O4 194.0579 NA KEGG NA NA +C01494 Ferulate C10H10O4 194.0579 NA KEGG NA NA +C02379 6-Hydroxymellein C10H10O4 194.0579 NA KEGG NA NA +C09974 2,4,8-Trihydroxy-1-tetralone C10H10O4 194.0579 NA KEGG NA NA +C10470 Isoferulic acid C10H10O4 194.0579 NA KEGG NA NA +C10477 Methyl caffeate C10H10O4 194.0579 NA KEGG NA NA +C11233 Dimethyl phthalate C10H10O4 194.0579 NA KEGG NA NA +C12204 5-Hydroxyconiferaldehyde C10H10O4 194.0579 NA KEGG NA NA +C16982 Kakuol C10H10O4 194.0579 NA KEGG NA NA +HMDB00954 trans-Ferulic acid C10H10O4 194.057907 NA HMDB2010 NA NA +HMDB00955 Isoferulic acid C10H10O4 194.057907 NA HMDB2010 NA NA +HMDB02120 Monoethyl phthalate C10H10O4 194.057907 NA HMDB2010 NA NA +MJ006281 Ferulate C10H10O4 194.057908 NA MeJP NA NA +MJ006282 -(3,4-Dihydroxyphenyl)-2-propenoic acid, Me ester C10H10O4 194.057908 NA MeJP NA NA +MJ006283 1,4-Benzenedicarboxylic acid; Di-Me ester C10H10O4 194.057908 NA MeJP NA NA +MJ006284 1,4-Benzenediol; Di-Ac C10H10O4 194.057908 NA MeJP NA NA +MJ006285 1,4-Dihydro-6,8-dihydroxy-1-methyl-3H-2-benzopyran-3-one C10H10O4 194.057908 NA MeJP NA NA +MJ006286 1-(2,4,5-Trihydroxyphenyl)-1-propanone; 4',5'-Methylene ether C10H10O4 194.057908 NA MeJP NA NA +MJ006287 2,10-Dihydroxy-4-decene-6,8-diynoic acid C10H10O4 194.057908 NA MeJP NA NA +MJ006288 2,2,6-Trihydroxy-2H-1-benzopyran; 6-Me ether C10H10O4 194.057908 NA MeJP NA NA +MJ006289 2,3-Dihydro-6-hydroxy-2-methyl-5-benzofurancarboxylic acid C10H10O4 194.057908 NA MeJP NA NA +MJ006290 2,3:8,9-Diepoxy-4,6-decadiyne-1,10-diol C10H10O4 194.057908 NA MeJP NA NA +MJ006291 2,6-Octadien-4-ynedioic acid, Di-Me ester C10H10O4 194.057908 NA MeJP NA NA +MJ006292 3,4-Dihydro-2,4,5-trihydroxy-1(2H)-naphthalenone C10H10O4 194.057908 NA MeJP NA NA +MJ006293 3,4-Dihydro-2,4,8-trihydroxy-1(2H)-naphthalenone C10H10O4 194.057908 NA MeJP NA NA +MJ006294 3,4-Dihydro-3,4,5-trihydroxy-1(2H)-naphthalenone C10H10O4 194.057908 NA MeJP NA NA +MJ006295 3,4-Dihydro-3,4,8-trihydroxy-1(2H)-naphthalenone C10H10O4 194.057908 NA MeJP NA NA +MJ006296 3,4-Dihydro-3,6,8-trihydroxy-1(2H)-naphthalenone C10H10O4 194.057908 NA MeJP NA NA +MJ006297 3,4-Dihydro-3,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one C10H10O4 194.057908 NA MeJP NA NA +MJ006298 3,4-Dihydro-4,6,8-trihydroxy-1(2H)-naphthalenone C10H10O4 194.057908 NA MeJP NA NA +MJ006299 3,4-Dihydro-4,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one C10H10O4 194.057908 NA MeJP NA NA +MJ006300 3,4-Dihydro-5,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one C10H10O4 194.057908 NA MeJP NA NA +MJ006301 3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one C10H10O4 194.057908 NA MeJP NA NA +MJ006302 3,4-Dihydro-7,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one C10H10O4 194.057908 NA MeJP NA NA +MJ006303 3,5-Dihydroxy-4-methyl-1,2-benzenedicarboxaldehyde; 3-Me ether C10H10O4 194.057908 NA MeJP NA NA +MJ006304 3-(2,3-Dihydroxyphenyl)-2-propenoic acid, 3-Me ether C10H10O4 194.057908 NA MeJP NA NA +MJ006305 3-(2,5-Dihydroxyphenyl)-2-propenoic acid; Me ester C10H10O4 194.057908 NA MeJP NA NA +MJ006306 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 4'-Me ether C10H10O4 194.057908 NA MeJP NA NA +MJ006307 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid C10H10O4 194.057908 NA MeJP NA NA +MJ006308 3-(4-Hydroxyphenyl)-3-oxopropanoic acid; Me ester C10H10O4 194.057908 NA MeJP NA NA +MJ006309 3-(4-Hydroxyphenyl)-3-oxopropanoic acid; Me ether C10H10O4 194.057908 NA MeJP NA NA +MJ006310 3-Ethyl-7-hydroxy-1(3H)-isobenzofuranone, 4-Hydroxy C10H10O4 194.057908 NA MeJP NA NA +MJ006311 3-Methyl-6-(1-methyl-1-propenyl)-2H-pyran-2-one, 3'-Carboxylic acid C10H10O4 194.057908 NA MeJP NA NA +MJ006312 4,6-Dihydroxy-1(3H)-isobenzofuranone; Di-Me ether C10H10O4 194.057908 NA MeJP NA NA +MJ006313 4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranone; 4-Me ether C10H10O4 194.057908 NA MeJP NA NA +MJ006314 4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranone; 6-Me ether C10H10O4 194.057908 NA MeJP NA NA +MJ006315 5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone C10H10O4 194.057908 NA MeJP NA NA +MJ006316 5,7-Dihydroxy-6-methyl-1(3H)-isobenzofuranone; 5-Me ether C10H10O4 194.057908 NA MeJP NA NA +MJ006317 5,7-Dihydroxy-6-methyl-1(3H)-isobenzofuranone; 7-Me ether C10H10O4 194.057908 NA MeJP NA NA +MJ006318 6,7-Dihydroxy-1(3H)-isobenzofuranone; Di-Me ether C10H10O4 194.057908 NA MeJP NA NA +MJ006319 6-Hydroxy-7-methoxy-2H-1-benzopyran-2-one; 3,4-Dihydro C10H10O4 194.057908 NA MeJP NA NA +MJ006320 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; 3,4-Dihydro C10H10O4 194.057908 NA MeJP NA NA +MJ006321 Citreopyrones; Citreopyrone B C10H10O4 194.057908 NA MeJP NA NA +MJ006322 Gentiopicral C10H10O4 194.057908 NA MeJP NA NA +MJ006323 Pyrenolide B; 7?,8?-Epoxide C10H10O4 194.057908 NA MeJP NA NA +MJ006324 Radiatinol C10H10O4 194.057908 NA MeJP NA NA +MJ006325 Uchinol C10H10O4 194.057908 NA MeJP NA NA +MetaCyc01744 ferulate [ferulate;ferulic acid;3-methoxy-4-hydroxycinnamic acid;caffeic acid 3-methyl ether;4-hydroxy-3-methoxycinnamic acid;3-methoxy-4-hydroxy-trans-cinnamate;] C10H10O4 194.057909 1135-24-6 metacyc NA NA +MetaCyc01745 scytalone [] C10H10O4 194.057909 49598-85-8 metacyc NA NA +MetaCyc01746 6-hydroxymellein [6,8-dihydroxy-3-methyl-isochroman-1-one;] C10H10O4 194.057909 NA metacyc NA NA +MetaCyc01747 5-hydroxy-coniferaldehyde [] C10H10O4 194.057909 NA metacyc NA NA +HMDB00954 trans-Ferulic acid C10H10O4 194.05791 http://www.hmdb.ca/metabolites/HMDB00954 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00954 trans-Ferulic acid C10H10O4 194.05791 http://www.hmdb.ca/metabolites/HMDB00954 HMDB NA NA +HMDB00955 Isoferulic acid C10H10O4 194.05791 http://www.hmdb.ca/metabolites/HMDB00955 HMDB NA NA +HMDB02120 Monoethyl phthalate C10H10O4 194.05791 http://www.hmdb.ca/metabolites/HMDB02120 HMDB NA NA +HMDB00954 trans-Ferulic acid C10H10O4 194.05791 http://www.hmdb.ca/metabolites/HMDB00954 PFEM_hmdb_metabocards_blood NA blood +HMDB00954 trans-Ferulic acid C10H10O4 194.05791 HMDB00954 PFEM_hmdb_metabocards_official NA NA +HMDB00955 Isoferulic acid C10H10O4 194.05791 HMDB00955 PFEM_hmdb_metabocards_official NA NA +HMDB02120 Monoethyl phthalate C10H10O4 194.05791 HMDB02120 PFEM_hmdb_metabocards_official NA NA +CJneg0320 Monoethyl phthalate [(M-H)]- C10H9O4 194.058425 C18rt(min)=7.45 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0321 mono-Benzyl malonate [(M-H)]- C10H9O4 194.058425 C18rt(min)=6.95 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0322 Dihydroxycinnamic acid methyl ester [(M-H)]- C10H9O4 194.058425 C18rt(min)=5.7 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0323 Isoferulic acid [(M-H)]- C10H9O4 194.058425 C18rt(min)=6.64 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0320 Monoethyl phthalate [(M-H)]- C10H9O4 194.058425 C18rt(min)=7.45 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0321 mono-Benzyl malonate [(M-H)]- C10H9O4 194.058425 C18rt(min)=6.95 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0322 Dihydroxycinnamic acid methyl ester [(M-H)]- C10H9O4 194.058425 C18rt(min)=5.7 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0323 Isoferulic acid [(M-H)]- C10H9O4 194.058425 C18rt(min)=6.64 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C15347 6-(Isopropylthio)purine C8H10N4S 194.0626 NA KEGG NA NA +CJpos0496 Pyridylacetylglycine [(M+H)]+ C9H11N2O3 194.068575 C18rt(min)=4.74 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0496 Pyridylacetylglycine [(M+H)]+ C9H11N2O3 194.068575 C18rt(min)=4.74 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB01867 4-Aminohippuric acid C9H10N2O3 194.069138 NA HMDB2010 NA NA +HMDB01867 4-Aminohippuric acid C9H10N2O3 194.06914 http://www.hmdb.ca/metabolites/HMDB01867 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01867 4-Aminohippuric acid C9H10N2O3 194.06914 http://www.hmdb.ca/metabolites/HMDB01867 HMDB NA NA +HMDB01867 4-Aminohippuric acid C9H10N2O3 194.06914 Polypeptides ;SYN:GSSG; Glutathione disulfide; Oxiglutatione; L(-)-Glutathione(oxidized)H2Blood; Cerebrospinal Fluid Inhouse_peptide NA peptide +HMDB01867 4-Aminohippuric acid C9H10N2O3 194.06914 http://www.hmdb.ca/metabolites/HMDB01867 PFEM_hmdb_metabocards_blood NA blood +HMDB01867 4-Aminohippuric acid C9H10N2O3 194.06914 HMDB01867 PFEM_hmdb_metabocards_official NA NA +MJ006326 Hydroxyphenylpropanedioic acid; Diamide C9H10N2O3 194.069142 NA MeJP NA NA +MJ006327 Macrophominol C9H10N2O3 194.069142 NA MeJP NA NA +MJ006328 N-(4-Aminobenzoyl)glycine C9H10N2O3 194.069142 NA MeJP NA NA +MJ006329 Nicotinylalanine C9H10N2O3 194.069142 NA MeJP NA NA +MJ006330 Olmidine C9H10N2O3 194.069142 NA MeJP NA NA +MetaCyc01748 N-carbamoyl-D-phenylglycine [] C9H10N2O3 194.069142 NA metacyc NA NA +CJneg0324 Pyridylacetylglycine [(M-H)]- C9H9N2O3 194.069725 C18rt(min)=4.64 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0324 Pyridylacetylglycine [(M-H)]- C9H9N2O3 194.069725 C18rt(min)=4.64 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ006331 Anthrone; Enol-form C14H10O 194.073164 NA MeJP NA NA +C11429 Phenanthrene-9,10-oxide C14H10O 194.0732 NA KEGG NA NA +C11430 9-Hydroxyphenanthrene C14H10O 194.0732 NA KEGG NA NA +C11431 Phenanthrene-1,2-oxide C14H10O 194.0732 NA KEGG NA NA +C11432 1-Phenanthrol C14H10O 194.0732 NA KEGG NA NA +CJpos0497 2-methylhippuric acid (ortho-methylhippuric acid) [(M+H)]+ (13C) C913CH12NO3 194.076675 C18rt(min)=6.13 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0498 4-methylhippuric acid (para-methylhippuric acid) [(M+H)]+ (13C) C913CH12NO3 194.076675 C18rt(min)=6.62 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0499 Methylhippuric acid isomer [(M+H)]+ (13C) C913CH12NO3 194.076675 C18rt(min)=6.25 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0497 2-methylhippuric acid (ortho-methylhippuric acid) [(M+H)]+ (13C) C913CH12NO3 194.076675 C18rt(min)=6.13 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0498 4-methylhippuric acid (para-methylhippuric acid) [(M+H)]+ (13C) C913CH12NO3 194.076675 C18rt(min)=6.62 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0499 Methylhippuric acid isomer [(M+H)]+ (13C) C913CH12NO3 194.076675 C18rt(min)=6.25 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJneg0325 4-Methylhippuric acid / 3-Methylhippuric acid [(M-H)]- (13C) C913CH10NO3 194.077825 C18rt(min)=6.62 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0326 2-methylhippuric acid (ortho-methylhippuric acid) [(M-H)]- (13C) C913CH10NO3 194.077825 C18rt(min)=6.13 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0325 4-Methylhippuric acid / 3-Methylhippuric acid [(M-H)]- (13C) C913CH10NO3 194.077825 C18rt(min)=6.62 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0326 2-methylhippuric acid (ortho-methylhippuric acid) [(M-H)]- (13C) C913CH10NO3 194.077825 C18rt(min)=6.13 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C03365 5-O-Methyl-myo-inositol C7H14O6 194.079 NA KEGG NA NA +C03619 Methyl beta-D-galactoside C7H14O6 194.079 NA KEGG NA NA +C03620 Monocarboxylic acid amide CH2NOR 194.079 NA KEGG NA NA +C03659 1-O-Methyl-myo-inositol C7H14O6 194.079 NA KEGG NA NA +C03660 3-O-Methyl-myo-inositol C7H14O6 194.079 NA KEGG NA NA +C03844 D-Pinitol C7H14O6 194.079 NA KEGG NA NA +C05163 O-Methyl-scyllo-inositol C7H14O6 194.079 NA KEGG NA NA +C06352 4-O-Methyl-myo-inositol C7H14O6 194.079 NA KEGG NA NA +C06353 6-O-Methyl-myo-inositol C7H14O6 194.079 NA KEGG NA NA +C08257 (-)-Quebrachitol C7H14O6 194.079 NA KEGG NA NA +MJ006332 1-C-Methyl-scyllo-inositol C7H14O6 194.079038 NA MeJP NA NA +MJ006333 1-O-Methyl-myo-inositol C7H14O6 194.079038 NA MeJP NA NA +MJ006334 2-Deoxy-arabino-hexonic acid, Me ester C7H14O6 194.079038 NA MeJP NA NA +MJ006335 3-O-Methylgalactose C7H14O6 194.079038 NA MeJP NA NA +MJ006336 3-O-Methylglucose C7H14O6 194.079038 NA MeJP NA NA +MJ006337 3-O-Methylmannose C7H14O6 194.079038 NA MeJP NA NA +MJ006338 4-C-Methyl-myo-inositol C7H14O6 194.079038 NA MeJP NA NA +MJ006339 4-O-Methyl-myo-inositol C7H14O6 194.079038 NA MeJP NA NA +MJ006340 6-Deoxy-altro-heptose C7H14O6 194.079038 NA MeJP NA NA +MJ006341 6-Deoxy-manno-heptose C7H14O6 194.079038 NA MeJP NA NA +MJ006342 6-O-Methylgalactose C7H14O6 194.079038 NA MeJP NA NA +MJ006343 7-Deoxy-D-glycero-D-gluco-heptose C7H14O6 194.079038 NA MeJP NA NA +MJ006344 7-Deoxy-L-glycero-D-gluco-heptose C7H14O6 194.079038 NA MeJP NA NA +MJ006345 7-Deoxy-altro-2-heptulose C7H14O6 194.079038 NA MeJP NA NA +MJ006346 Fulvanol C7H14O6 194.079038 NA MeJP NA NA +MJ006347 Methyl ?-D-glucopyranoside C7H14O6 194.079038 NA MeJP NA NA +MJ006348 Sequoyitol C7H14O6 194.079038 NA MeJP NA NA +MJ006349 allo-Inositol; 5-Me C7H14O6 194.079038 NA MeJP NA NA +MJ006350 chiro-Inositol, 1-Me C7H14O6 194.079038 NA MeJP NA NA +MJ006351 chiro-Inositol, 3-Me C7H14O6 194.079038 NA MeJP NA NA +MJ006352 chiro-Inositol, 2-Me C7H14O6 194.079038 NA MeJP NA NA +MJ006353 chiro-Inositol, 3-Me C7H14O6 194.079038 NA MeJP NA NA +MJ006354 muco-Inositol; 1-Me C7H14O6 194.079038 NA MeJP NA NA +MJ006355 1-O-Methyl-myo-inositol C7H14O6 194.079038 NA MeJP NA NA +MJ006356 3-O-Methyl-myo-inositol C7H14O6 194.079038 NA MeJP NA NA +MetaCyc01749 methyl-β-D-galactoside [methyl β-D-galactopyranoside;] C7H14O6 194.079038 1824-94-8 metacyc NA NA +MetaCyc01750 5D-5-O-methyl-chiro-inositol [6-methoxycyclohexane-1,2,3,4,5-pentaol;] C7H14O6 194.079038 NA metacyc NA NA +MetaCyc01751 3-O-methyl-α-D-glucopyranose [] C7H14O6 194.079038 13224-94-7 metacyc NA NA +MetaCyc01752 3-O-methyl-myo-inositol [1-methyl-myo-inositol;1D-3-O-methyl-myo-inositol;] C7H14O6 194.079038 NA metacyc NA NA +MetaCyc01753 5-O-methyl-myo-inositol [1D-5-O-methyl-myo-inositol;sequoyitol;] C7H14O6 194.079038 523-92-2 metacyc NA NA +MetaCyc01754 4-methyl-myo-inositol [4-O-methyl-myo-inositol;] C7H14O6 194.079038 NA metacyc NA NA +MetaCyc01755 1-O-methyl-myo-inositol [1D-1-O-methyl-myo-inositol;] C7H14O6 194.079038 NA metacyc NA NA +MetaCyc01756 methyl α-D-mannopyranoside [α-methyl mannopyranoside;1-O-methyl-α-D-mannopyranoside;methyl α-D-mannoside;α-D-methyl mannoside;α-methyl-D-(-)-mannoside;] C7H14O6 194.079038 617-04-9 metacyc NA NA +MetaCyc01757 methyl α-D-glucoside [α-methyl-D-glucoside;α-Methylglucoside;methyl α-D-glucopyranose;methyl α-D-glucopyranoside;Methyl-D-glucoside;] C7H14O6 194.079038 97-30-3 metacyc NA NA +MetaCyc01758 methyl β-D-glucoside [methyl-β-D-glucopyranoside;1-O-methyl-β-D-glucopyranose;methyl-β-D-glucopyranoside hemihydrate;] C7H14O6 194.079038 709-50-2 metacyc NA NA +MetaCyc01759 methyl-α-D-galactopyranoside [1-O-methyl-α-D-galactopyranose;] C7H14O6 194.079038 3396-99-4 metacyc NA NA +CJpos0500 Caffeine [(M+H)]+ C8H11N4O2 194.079875 C18rt(min)=5.58 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0500 Caffeine [(M+H)]+ C8H11N4O2 194.079875 C18rt(min)=5.58 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ006357 Caffeine C8H10N4O2 194.080375 NA MeJP NA NA +MJ006358 Xanthine; 7H-form, 3-Propyl C8H10N4O2 194.080375 NA MeJP NA NA +MetaCyc01760 caffeine [1,3,7-trimethylxanthine;] C8H10N4O2 194.080376 NA metacyc NA NA +HMDB01847 Caffeine C8H10N4O2 194.08038 http://www.hmdb.ca/metabolites/HMDB01847 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01847 Caffeine C8H10N4O2 194.08038 http://www.hmdb.ca/metabolites/HMDB01847 HMDB NA NA +HMDB01847 Caffeine C8H10N4O2 194.08038 http://www.hmdb.ca/metabolites/HMDB01847 PFEM_hmdb_metabocards_blood NA blood +HMDB01847 Caffeine C8H10N4O2 194.08038 HMDB01847 PFEM_hmdb_metabocards_official NA NA +HMDB01847 Caffeine C8H10N4O2 194.080383 NA HMDB2010 NA NA +EUR630 Caffeine [M+H]+ 194.0804 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR630 Caffeine [M+H]+ 194.0804 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR630 Caffeine [M+H]+ 194.0804 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR630 Caffeine [M+H]+ 194.0804 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C07481 Caffeine C8H10N4O2 194.0804 NA KEGG NA NA +MLBis015 Caffeine HMDB01847_RT5.85_add 194.081 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis015 Caffeine HMDB01847_RT5.85_add 194.081 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis015 Caffeine HMDB01847_RT5.85_add 194.081 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis015 Caffeine HMDB01847_RT5.85_add 194.081 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis015 Caffeine HMDB01847_RT5.85_add 194.081 Mlbis HMDB NA NA +MLBis015 Caffeine HMDB01847_RT5.85_add 194.081 Mlbis Inhouse_PFEM NA NA +MLBis015 Caffeine NA 194.081 195.0882 Inhouse_sept12 NA NA +MLBis015 Caffeine HMDB01847_RT5.85_add 194.081 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis015 Caffeine HMDB01847_RT5.85_add 194.081 Mlbis PFEM_hmdb_metabocards_official NA NA +8049 synthetic peptide PWS 194.0815 MH2+ Inhouse_peptide NA peptide +MJ006359 1-Vinyl-?-carboline C13H10N2 194.084398 NA MeJP NA NA +MJ006360 2-Aminoacridine C13H10N2 194.084398 NA MeJP NA NA +MJ006361 3-Aminoacridine C13H10N2 194.084398 NA MeJP NA NA +MJ006362 4-Aminoacridine C13H10N2 194.084398 NA MeJP NA NA +MJ006363 9-Aminoacridine C13H10N2 194.084398 NA MeJP NA NA +MJ006364 1-(3,4-Dihydroxyphenyl)-1-propanone; Di-Me ether C11H14O3 194.094294 NA MeJP NA NA +MJ006365 1-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3',4'-Di-Me ether C11H14O3 194.094294 NA MeJP NA NA +MJ006366 2,3-Dihydro-2,2-dimethyl-2H-1-benzopyran-4,6-diol C11H14O3 194.094294 NA MeJP NA NA +MJ006367 2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one; 2-Me ether C11H14O3 194.094294 NA MeJP NA NA +MJ006368 2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one; 7-Me ether C11H14O3 194.094294 NA MeJP NA NA +MJ006369 2,7-Dihydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one; 7-Me ether C11H14O3 194.094294 NA MeJP NA NA +MJ006370 2-Acetyl-4,4,6-trimethyl-1,3-cyclohexanedione; 4,5-Didehydro C11H14O3 194.094294 NA MeJP NA NA +MJ006371 2-Hydroxy-5-(3-hydroxybutyl)benzaldehyde C11H14O3 194.094294 NA MeJP NA NA +MJ006372 2-Hydroxybenzoic acid; Butyl ester C11H14O3 194.094294 NA MeJP NA NA +MJ006373 2-Vinyl-1,3,5-benzenetriol; Tri-Me ether C11H14O3 194.094294 NA MeJP NA NA +MJ006374 3,4-Dihydro-3,6-dihydroxy-2,2-dimethyl-2H-1-benzopyran C11H14O3 194.094294 NA MeJP NA NA +MJ006375 3,4-Dihydro-3-methyl-1H-2-benzopyran-6,8-diol, 8-Me ether C11H14O3 194.094294 NA MeJP NA NA +MJ006376 3,4-Dihydro-6,7-dihydroxy-1,1-dimethyl-1H-2-benzopyran C11H14O3 194.094294 NA MeJP NA NA +MJ006377 3-(1-Hexenyl)-4-methyl-2,5-furandione C11H14O3 194.094294 NA MeJP NA NA +MJ006378 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3',4'-Di-Me ether C11H14O3 194.094294 NA MeJP NA NA +MJ006379 3-(3-Methyl-1,3-butadienylidene)-7-oxabicyclo[4.1.0]heptane-2,5-diol C11H14O3 194.094294 NA MeJP NA NA +MJ006380 3-Hydroxy-5-phenylpentanoic acid, O-?-D-Glucopyranoside C11H14O3 194.094294 NA MeJP NA NA +MJ006381 4,5-Dimethoxy-2-(2-propenyl)phenol C11H14O3 194.094294 NA MeJP NA NA +MJ006382 4-(1-Propenyl)-1,2-benzenediol, Di-Me ether, 1'R*,2'R*-epoxide C11H14O3 194.094294 NA MeJP NA NA +MJ006383 4-(2,5-Dihydroxyphenyl)-2-methyl-3-buten-2-ol C11H14O3 194.094294 NA MeJP NA NA +MJ006384 4-(3,4-Dihydroxyphenyl)-2-butanone; 3-Me ether C11H14O3 194.094294 NA MeJP NA NA +MJ006385 4-(3,4-Dihydroxyphenyl)-2-butanone; 4-Me ether C11H14O3 194.094294 NA MeJP NA NA +MJ006386 4-(3,4-Dihydroxyphenyl)-2-buten-1-ol, 3'-Me ether C11H14O3 194.094294 NA MeJP NA NA +MJ006387 4-Hydroxybenzoic acid; Butyl ester C11H14O3 194.094294 NA MeJP NA NA +MJ006388 5-(2-Propenyl)-1,2,3-benzenetriol; 1,2-Di-Me ether C11H14O3 194.094294 NA MeJP NA NA +MJ006389 5-(2-Propenyl)-1,2,3-benzenetriol; 1,3-Di-Me ether C11H14O3 194.094294 NA MeJP NA NA +MJ006390 5-(2-Propenyl)-1,2,4-benzenetriol; 1,4-Di-Me ether C11H14O3 194.094294 NA MeJP NA NA +MJ006391 5-Hydroxy-3-(3-methyl-3-butenyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one C11H14O3 194.094294 NA MeJP NA NA +MJ006392 5-Hydroxy-?,?-dimethyl-2-benzofuranmethanol; 2,3-Dihydro C11H14O3 194.094294 NA MeJP NA NA +MJ006393 5-Vinyl-1,2,4-benzenetriol; Tri-Me ether C11H14O3 194.094294 NA MeJP NA NA +MJ006394 Feroxidin C11H14O3 194.094294 NA MeJP NA NA +MJ006395 Galiellactone C11H14O3 194.094294 NA MeJP NA NA +MJ006396 Kobifuranone B C11H14O3 194.094294 NA MeJP NA NA +MJ006397 Loliolide, 6-Ketone C11H14O3 194.094294 NA MeJP NA NA +MJ006398 Nakienone A C11H14O3 194.094294 NA MeJP NA NA +MJ006399 Nakienone B C11H14O3 194.094294 NA MeJP NA NA +MJ006400 Nakienone C C11H14O3 194.094294 NA MeJP NA NA +MJ006401 Nectriapyrone C11H14O3 194.094294 NA MeJP NA NA +MJ006402 Xialenone C; 3a,6a-Dideoxy, 3a,6a-didehydro, 2?,3?-dihydro C11H14O3 194.094294 NA MeJP NA NA +C17497 Zingerone C11H14O3 194.0943 NA KEGG NA NA +8005 synthetic peptide LWA 194.1 MH2+ Inhouse_peptide NA peptide +MJ006403 Trimethyl[3-(methylthio)propyl]ammonium(1+); S-Me C8H21NS2(+) 194.103716 NA MeJP NA NA +C01297 6-Hydroxypseudooxynicotine C10H14N2O2 194.1055 NA KEGG NA NA +C17964 Pilocarpidine C10H14N2O2 194.1055 NA KEGG NA NA +MJ006404 2-Amino-3-(aminomethylphenyl)propanoic acid C10H14N2O2 194.105527 NA MeJP NA NA +MJ006405 5-Hydroxy-3,4'-dimethyl-[1,2'-bipyrrole]-2,5'(2'H,5H)-dione; 5-Deoxy, 3',4'-dihydro C10H14N2O2 194.105527 NA MeJP NA NA +MJ006406 Loline; 5,6-Didehydro, N-Ac C10H14N2O2 194.105527 NA MeJP NA NA +MJ006407 Nerbacadol C10H14N2O2 194.105527 NA MeJP NA NA +MJ006408 Phenocoll C10H14N2O2 194.105527 NA MeJP NA NA +MJ006409 Pilocarpine, N-De-Me C10H14N2O2 194.105527 NA MeJP NA NA +MetaCyc01761 6-hydroxypseudooxynicotine [1-(6-hydroxypyrid-3-yl)-4-(methylamino)butan-1-one;(3-methylamino-propyl)-(6-hydroxy-pyridyl-(3))-ketone;1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one;] C10H14N2O2 194.105528 NA metacyc NA NA +MJ006410 Azimexon C9H14N4O 194.116761 NA MeJP NA NA +MJ006411 1-Hydroxy-11,12,13-trinor-9-eremophilen-8-one; 1?-form C12H18O2 194.130679 NA MeJP NA NA +MJ006412 11,12,13-Trinor-3,8-eudesmanedione C12H18O2 194.130679 NA MeJP NA NA +MJ006413 11-Methyl-3,6-undecadienolide C12H18O2 194.130679 NA MeJP NA NA +MJ006414 2,4,6-Dodecatrienoic acid C12H18O2 194.130679 NA MeJP NA NA +MJ006415 2,4,7-Decatrienoic acid, Et ester C12H18O2 194.130679 NA MeJP NA NA +MJ006416 2-Acetoxy-p-mentha-1,8-diene C12H18O2 194.130679 NA MeJP NA NA +MJ006417 2-Isopropyl-5-methyl-1,4-benzenediol; Di-Me ether C12H18O2 194.130679 NA MeJP NA NA +MJ006418 2-Isopropyl-5-methylphenol; (2-Hydroxyethyl) ether C12H18O2 194.130679 NA MeJP NA NA +MJ006419 2-Pinen-10-ol, Ac C12H18O2 194.130679 NA MeJP NA NA +MJ006420 2-Pinen-6-ol, Ac C12H18O2 194.130679 NA MeJP NA NA +MJ006421 2-Pinen-8-ol; Ac C12H18O2 194.130679 NA MeJP NA NA +MJ006422 3,6,9-Dodecatrienoic acid C12H18O2 194.130679 NA MeJP NA NA +MJ006423 4(10)-Thujen-3-ol; Ac C12H18O2 194.130679 NA MeJP NA NA +MJ006424 4,8-Dimethyl-4,8-decadienolide C12H18O2 194.130679 NA MeJP NA NA +MJ006425 4-Hexyl-1,3-benzenediol C12H18O2 194.130679 NA MeJP NA NA +MJ006426 4-Hydroxy-11,12,13-trinor-7-eudesmanone, 5,6-Didehydro C12H18O2 194.130679 NA MeJP NA NA +MJ006427 4-Hydroxy-11,12,13-trinor-7-eudesmanone, 8,9-Didehydro C12H18O2 194.130679 NA MeJP NA NA +MJ006428 5,5-Dimethyl-6-methylenebicyclo[2.2.1]heptan-2-ol, Ac C12H18O2 194.130679 NA MeJP NA NA +MJ006429 5-Methyl-2-methylene-3-vinyl-4-hexen-1-ol, Ac C12H18O2 194.130679 NA MeJP NA NA +MJ006430 6,8-Dimethyl-2,4,6-decatrienoic acid C12H18O2 194.130679 NA MeJP NA NA +MJ006431 6-(1-Heptenyl)-5,6-dihydro-2H-pyran-2-one C12H18O2 194.130679 NA MeJP NA NA +MJ006432 6-Heptyl-2H-pyran-2-one C12H18O2 194.130679 NA MeJP NA NA +MJ006433 Anastrephin C12H18O2 194.130679 NA MeJP NA NA +MJ006434 Clavukerin C C12H18O2 194.130679 NA MeJP NA NA +MJ006435 Clavularin A C12H18O2 194.130679 NA MeJP NA NA +MJ006436 Cnidilide C12H18O2 194.130679 NA MeJP NA NA +MJ006437 Dihydro-5-(2,5-octadienyl)-2(3H)-furanone C12H18O2 194.130679 NA MeJP NA NA +MJ006438 Elijopyrone D; 1',2'-Dihydro C12H18O2 194.130679 NA MeJP NA NA +MJ006439 Lyratol, Ac C12H18O2 194.130679 NA MeJP NA NA +MJ006440 Neocnidilide C12H18O2 194.130679 NA MeJP NA NA +MJ006441 Norbisabolide C12H18O2 194.130679 NA MeJP NA NA +MJ006442 Norpechuelol C12H18O2 194.130679 NA MeJP NA NA +MJ006443 Suspensolide C12H18O2 194.130679 NA MeJP NA NA +MJ006444 Tuberolide C12H18O2 194.130679 NA MeJP NA NA +MJ006445 p-Mentha-1(7),5-dien-2-ol, Ac C12H18O2 194.130679 NA MeJP NA NA +MJ006446 p-Mentha-1,8-dien-10-ol, Ac C12H18O2 194.130679 NA MeJP NA NA +C14305 4-Hexyloxyphenol C12H18O2 194.1307 NA KEGG NA NA +C16937 Cnidilide C12H18O2 194.1307 NA KEGG NA NA +C17002 Neocnidilide C12H18O2 194.1307 NA KEGG NA NA +MJ006447 1,1',4,4',5,5',6,6'-Octahydro-5-methoxy-2,3'-bipyridine C11H18N2O 194.141913 NA MeJP NA NA +MJ006448 1,2,3,4-Tetrahydro-5-(2-pyrrolidinyl)pyridine; N1-Ac C11H18N2O 194.141913 NA MeJP NA NA +MJ006449 Lupinus Alkaloid P2 C11H18N2O 194.141913 NA MeJP NA NA +MJ006450 Mutaaspergillic acid; Dideoxy C11H18N2O 194.141913 NA MeJP NA NA +MJ006451 Prisotinol C11H18N2O 194.141913 NA MeJP NA NA +MJ006452 Tenuamine C11H18N2O 194.141913 NA MeJP NA NA +MJ006453 Tetrahydrocytisine C11H18N2O 194.141913 NA MeJP NA NA +MJ006454 Virgilidone C11H18N2O 194.141913 NA MeJP NA NA +MJ006455 Coryphanthine C12H20NO 194.154489 NA MeJP NA NA +MJ006456 1,2-Dinor-6,10-farnesadien-3-one C13H22O 194.167065 NA MeJP NA NA +MJ006457 5,7-Megastigmadien-9-one; 7,8-Dihydro C13H22O 194.167065 NA MeJP NA NA +MJ006458 5,9-Epoxy-3,6-megastigmadiene, 6?,7-Dihydro C13H22O 194.167065 NA MeJP NA NA +MJ006459 5,9-Epoxy-3,6-megastigmadiene, 6?,7-Dihydro C13H22O 194.167065 NA MeJP NA NA +MJ006460 5-Isopropyl-2-(2-methylpropyl)-2-cyclohexen-1-one C13H22O 194.167065 NA MeJP NA NA +MJ006461 5-Isopropyl-8-methyl-6,8-nonadien-2-one C13H22O 194.167065 NA MeJP NA NA +MJ006462 Theaspirane C13H22O 194.167065 NA MeJP NA NA +MetaCyc01762 oxidized latia luciferin [] C13H22O1 194.167065 NA metacyc NA NA +C03527 Oxidized Latia luciferin C13H22O 194.1671 NA KEGG NA NA +C03529 Peptide formylkynurenine C12H11N3O4R2 194.1671 NA KEGG NA NA +C03530 Peptidyl-L-lysyl-peptide C12H20N5O5R3 194.1671 NA KEGG NA NA +C03531 Peptidyl-allysyl-peptide C12H17N4O6R3 194.1671 NA KEGG NA NA +C03533 Picornavirus polyprotein C12H17N4O6R3 194.1671 NA KEGG NA NA +C03535 Polysulfate of cellulose C12H17N4O6R3 194.1671 NA KEGG NA NA +MJ006463 1,4-Bis(cyclopropylmethyl)-1,4-piperazine C12H22N2 194.178298 NA MeJP NA NA +MJ006464 3-Nonyl-1H-pyrazole C12H22N2 194.178298 NA MeJP NA NA +3296 NA HHP 194.584 MH2+ Inhouse_peptide NA peptide +3300 NA PHH 194.584 MH2+ Inhouse_peptide NA peptide +3311 NA HPH 194.584 MH2+ Inhouse_peptide NA peptide +MJ006465 Zirconium chloride (ZrCl3) Cl3Zr 194.811261 NA MeJP NA NA +C15997 Potassium 2,6-dihydroxytriazinecarboxylate C4H2N3O4 194.9682 NA KEGG NA NA +MJ006466 3-Bromo-1H-indole C8H6BrN 194.968361 NA MeJP NA NA +EUR648 Selenomethionine [M+H]+ NA 194.998675 1.31 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR648 Selenomethionine [M+H]+ NA 194.998675 1.31 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR648 Selenomethionine [M+H]+ NA 194.998675 1.31 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR648 Selenomethionine [M+H]+ NA 194.998675 1.31 Inhousejuil11 NA NA +MJ006467 2-Amino-5-phosphono-3-pentenoic acid C5H10NO5P 195.029658 NA MeJP NA NA +MJ006468 2-Amino-5,8-dihydro-4,6,7(1H)-pteridinetrione C6H5N5O3 195.039239 NA MeJP NA NA +MJ006469 Elmustine C5H10ClN3O3 195.041068 NA MeJP NA NA +CJneg0327 Glucuronic acid (and isomers) [(M-H)]- (13C) C513CH9O7 195.046525 C18rt(min)=0.85 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0327 Glucuronic acid (and isomers) [(M-H)]- (13C) C513CH9O7 195.046525 C18rt(min)=0.85 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0501 m-Hydroxyhippuric acid [(M+H)]+ C9H10NO4 195.052575 C18rt(min)=6 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0502 o-Hydroxyhippuric acid [(M+H)]+ C9H10NO4 195.052575 C18rt(min)=6.4 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0503 p-Hydroxyhippuric acid [(M+H)]+ C9H10NO4 195.052575 C18rt(min)=4.85 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0504 ?-hydroxyhippuric acid [(M+H)]+ C9H10NO4 195.052575 C18rt(min)=5.18 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0501 m-Hydroxyhippuric acid [(M+H)]+ C9H10NO4 195.052575 C18rt(min)=6 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0502 o-Hydroxyhippuric acid [(M+H)]+ C9H10NO4 195.052575 C18rt(min)=6.4 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0503 p-Hydroxyhippuric acid [(M+H)]+ C9H10NO4 195.052575 C18rt(min)=4.85 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0504 ?-hydroxyhippuric acid [(M+H)]+ C9H10NO4 195.052575 C18rt(min)=5.18 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ006470 2,6-Pyridinedicarboxylic acid; Di-Me ester C9H9NO4 195.053157 NA MeJP NA NA +MJ006471 2,6-Pyridinedicarboxylic acid; Mono-Et ester C9H9NO4 195.053157 NA MeJP NA NA +MJ006472 2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one, 7-Me ether C9H9NO4 195.053157 NA MeJP NA NA +MJ006473 3-(4-Hydroxyphenyl)-2-oxopropanoic acid; Oxime C9H9NO4 195.053157 NA MeJP NA NA +MJ006474 3-[(Carboxymethyl)amino]benzoic acid C9H9NO4 195.053157 NA MeJP NA NA +MJ006475 6,7-Dimethoxy-1(3H)-benzoxazolone C9H9NO4 195.053157 NA MeJP NA NA +MJ006476 ?-Amino-4-carboxybenzeneacetic acid C9H9NO4 195.053157 NA MeJP NA NA +MJ006477 Dioxolide A; 3a,4-Didehydro C9H9NO4 195.053157 NA MeJP NA NA +MJ006478 Dopaquinone C9H9NO4 195.053157 NA MeJP NA NA +MJ006479 Forphenicine C9H9NO4 195.053157 NA MeJP NA NA +MJ006480 N-(2-Hydroxybenzoyl)glycine C9H9NO4 195.053157 NA MeJP NA NA +MJ006481 Pencolide C9H9NO4 195.053157 NA MeJP NA NA +MJ006482 ?-Amino-3-carboxybenzeneacetic acid C9H9NO4 195.053157 NA MeJP NA NA +MJ006483 2-Carboxy-2,3-dihydro-5,6-dihydroxyindole C9H9NO4 195.053157 NA MeJP NA NA +MJ006484 Dopaquinone C9H9NO4 195.053157 NA MeJP NA NA +MetaCyc01763 dopaquinone [] C9H9N1O4 195.053158 NA metacyc NA NA +MetaCyc01764 HMBOA [2-hydroxy-7-methoxy-1,4-benzoxazin-3-one;] C9H9N1O4 195.053158 NA metacyc NA NA +HMDB00840 Salicyluric acid C9H9NO4 195.05316 http://www.hmdb.ca/metabolites/HMDB00840 PFEM_hmdb_metabocards_urine NA urine +HMDB06116 3-Hydroxyhippuric acid C9H9NO4 195.05316 http://www.hmdb.ca/metabolites/HMDB06116 PFEM_hmdb_metabocards_urine NA urine +HMDB00840 Salicyluric acid C9H9NO4 195.05316 http://www.hmdb.ca/metabolites/HMDB00840 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00840 Salicyluric acid C9H9NO4 195.05316 http://www.hmdb.ca/metabolites/HMDB00840 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB06116 3-Hydroxyhippuric acid C9H9NO4 195.05316 http://www.hmdb.ca/metabolites/HMDB06116 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00840 Salicyluric acid C9H9NO4 195.05316 http://www.hmdb.ca/metabolites/HMDB00840 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB06116 3-Hydroxyhippuric acid C9H9NO4 195.05316 http://www.hmdb.ca/metabolites/HMDB06116 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00840 Salicyluric acid C9H9NO4 195.05316 http://www.hmdb.ca/metabolites/HMDB00840 HMDB NA NA +HMDB01229 Dopaquinone C9H9NO4 195.05316 http://www.hmdb.ca/metabolites/HMDB01229 HMDB NA NA +HMDB02016 4-Carboxyphenylglycine C9H9NO4 195.05316 http://www.hmdb.ca/metabolites/HMDB02016 HMDB NA NA +HMDB02404 alpha-Hydroxyhippuric acid C9H9NO4 195.05316 http://www.hmdb.ca/metabolites/HMDB02404 HMDB NA NA +HMDB04067 Leucodopachrome C9H9NO4 195.05316 http://www.hmdb.ca/metabolites/HMDB04067 HMDB NA NA +HMDB06116 3-Hydroxyhippuric acid C9H9NO4 195.05316 http://www.hmdb.ca/metabolites/HMDB06116 HMDB NA NA +HMDB00840 Salicyluric acid C9H9NO4 195.05316 NA ;SYN:L-b-Aminoisobutyric acid; L-3-Amino-2-methylpropionic acid; L-3-Amino-2-methylpropanoic acid; L-2-methyl-b-Alanine; (S)-b-Aminoisobutyric acid; (S)-3-amino-2-methyl-Propanoic acid; (+)-b-Aminoisobutyric acid; (+)-a-Methyl-b-alanine; S-b-aminoisobutyrate; S-beta-aminoisobutyrate; S-beta-aminoisobutyric acid; L-beta-Aminoisobutyric acid; L-2-methyl-beta-Alanine; (S)-beta-Aminoisobutyric acid; (+)-beta-Aminoisobutyric acid; (+)-alpha-Methyl-beta-alanine; L-beta-aminoisobutyrate; L-b-aminoisobutyrate; L-3-Amino-isobutanoate; (S)-3-Amino-isobutyrate; L-3-Amino-isobutyrate; (S)-3-Amino-isobutanoate; (S)-3-Amino-2-methylpropanoate; L-3-Amino-isobutanoic acid; (S)-3-Amino-isobutyric acid; L-3-Amino-isobutyric acid; (S)-3-Amino-isobutanoic acid; (S)-3-Amino-2-methylpropanoic acid; L-3-Amino-2-methylpropanoate; (S)-3-amino-2-methyl-PropanoateH2Blood; Urine Inhouse_peptide NA peptide +HMDB00840 Salicyluric acid C9H9NO4 195.05316 http://www.hmdb.ca/metabolites/HMDB00840 PFEM_hmdb_metabocards_blood NA blood +HMDB00840 Salicyluric acid C9H9NO4 195.05316 HMDB00840 PFEM_hmdb_metabocards_official NA NA +HMDB01229 Dopaquinone C9H9NO4 195.05316 HMDB01229 PFEM_hmdb_metabocards_official NA NA +HMDB02016 4-Carboxyphenylglycine C9H9NO4 195.05316 HMDB02016 PFEM_hmdb_metabocards_official NA NA +HMDB02404 alpha-Hydroxyhippuric acid C9H9NO4 195.05316 HMDB02404 PFEM_hmdb_metabocards_official NA NA +HMDB04067 Leucodopachrome C9H9NO4 195.05316 HMDB04067 PFEM_hmdb_metabocards_official NA NA +HMDB06116 3-Hydroxyhippuric acid C9H9NO4 195.05316 HMDB06116 PFEM_hmdb_metabocards_official NA NA +HMDB00840 Salicyluric acid C9H9NO4 195.053162 NA HMDB2010 NA NA +HMDB01229 Dopaquinone C9H9NO4 195.053162 NA HMDB2010 NA NA +HMDB02016 4-Carboxyphenylglycine C9H9NO4 195.053162 NA HMDB2010 NA NA +HMDB02404 Alpha-Hydroxyhippuric acid C9H9NO4 195.053162 NA HMDB2010 NA NA +HMDB04067 Leucodopachrome C9H9NO4 195.053162 NA HMDB2010 NA NA +HMDB06116 3-Hydroxyhippuric acid C9H9NO4 195.053162 NA HMDB2010 NA NA +C00822 Dopaquinone C9H9NO4 195.0532 NA KEGG NA NA +C04274 1,2-Epoxy-3-(p-Nitrophenoxy)propane C9H9NO4 195.0532 NA KEGG NA NA +C05604 2-Carboxy-2,3-dihydro-5,6-dihydroxyindole C9H9NO4 195.0532 NA KEGG NA NA +C05605 Copachrome C9H9NO4 195.0532 NA KEGG NA NA +C05606 Melanin C9H9NO4 195.0532 NA KEGG NA NA +C07588 Salicyluric acid C9H9NO4 195.0532 NA KEGG NA NA +CJneg0328 m-Hydroxyhippuric acid [(M-H)]- C9H8NO4 195.053725 C18rt(min)=6 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0329 o-Hydroxyhippuric acid [(M-H)]- C9H8NO4 195.053725 C18rt(min)=6.4 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0330 p-Hydroxyhippuric acid [(M-H)]- C9H8NO4 195.053725 C18rt(min)=4.85 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0331 ?-hydroxyhippuric acid [(M-H)]- C9H8NO4 195.053725 C18rt(min)=4.99 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0328 m-Hydroxyhippuric acid [(M-H)]- C9H8NO4 195.053725 C18rt(min)=6 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0329 o-Hydroxyhippuric acid [(M-H)]- C9H8NO4 195.053725 C18rt(min)=6.4 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0330 p-Hydroxyhippuric acid [(M-H)]- C9H8NO4 195.053725 C18rt(min)=4.85 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0331 ?-hydroxyhippuric acid [(M-H)]- C9H8NO4 195.053725 C18rt(min)=4.99 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ006485 4-Amino-5-(methylthio)-1,2,3-cyclopentanetriol, S-Oxide C6H13NO4S 195.056528 NA MeJP NA NA +CJpos0505 Monoethyl phthalate [(M+H)]+ (13C) C913CH11O4 195.060675 C18rt(min)=7.45 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0505 Monoethyl phthalate [(M+H)]+ (13C) C913CH11O4 195.060675 C18rt(min)=7.45 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +3121 a1-chain of collagen fr,: 435-438 DGEA 195.06345 MH2+ Inhouse_peptide NA peptide +CJneg0332 Methyl (hydroxymethyl)pyrrolidine-carboxylate / Methyl (hydroxy)piperidine-carboxylate [(M+Cl)]- C7H13ClNO3 195.066725 C18rt(min)=4.6 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0332 Methyl (hydroxymethyl)pyrrolidine-carboxylate / Methyl (hydroxy)piperidine-carboxylate [(M+Cl)]- C7H13ClNO3 195.066725 C18rt(min)=4.6 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +C14591 4-(2-Benzofuranyl)pyridine C13H9NO 195.0684 NA KEGG NA NA +MJ006486 4-(2-Benzofuranyl)pyridine C13H9NO 195.068413 NA MeJP NA NA +MJ006487 9H-Carbazole-3-carboxaldehyde C13H9NO 195.068413 NA MeJP NA NA +MJ006488 Acridone C13H9NO 195.068413 NA MeJP NA NA +MJ006489 Onychine C13H9NO 195.068413 NA MeJP NA NA +MJ006490 Fluparoxan C10H10FNO2 195.069556 NA MeJP NA NA +CJpos0506 Pyridylacetylglycine [(M+H)]+ (13C) C813CH11N2O3 195.071975 C18rt(min)=4.74 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0506 Pyridylacetylglycine [(M+H)]+ (13C) C813CH11N2O3 195.071975 C18rt(min)=4.74 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ006491 2-Amino-2-deoxy-D-gluconate C6H13NO6 195.074287 NA MeJP NA NA +MetaCyc01765 glucosaminate [D-Glucosaminate;D-Glucosaminic acid;Glucosaminate;2-amino-2-deoxy-D-gluconate;] C6H13N1O6 195.074287 3646-68-2 metacyc NA NA +C02264 D-Glucose oxime C6H13NO6 195.0743 NA KEGG NA NA +C03752 2-Amino-2-deoxy-D-gluconate C6H13NO6 195.0743 NA KEGG NA NA +C01300 2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine C7H9N5O2 195.0756 NA KEGG NA NA +MJ006492 2-Amino-6,8-dihydroxypurine; 7,O6-Di-Me C7H9N5O2 195.075624 NA MeJP NA NA +MJ006493 2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine C7H9N5O2 195.075624 NA MeJP NA NA +MetaCyc01766 6-hydroxymethyl-dihydropterin [dihydropterin-CH2OH;2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine;] C7H9N5O2 195.075625 NA metacyc NA NA +MetaCyc01767 2-amino-4-hydroxy-6-hydroxymethyl dihydropteridin [2-amino-4-hydroxy-6-hydroxy-methyl-dihydropteridin;2-amino-4-hydroxy-6-hydroxymethyldihydropteridin;] C7H9N5O2 195.075625 NA metacyc NA NA +MJ006494 2-(1H-imidazol-4-yl)quinoline C12H9N3 195.079647 NA MeJP NA NA +C10970 SK&F 86466 C11H14ClN 195.0815 NA KEGG NA NA +CJpos0507 Caffeine [(M+H)]+ (13C) C713CH11N4O2 195.083175 C18rt(min)=5.58 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0507 Caffeine [(M+H)]+ (13C) C713CH11N4O2 195.083175 C18rt(min)=5.58 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +3341 ACE inhibitor FQP 195.089 MH2+ Inhouse_peptide NA peptide +C03404 L-Tyrosine methyl ester C10H13NO3 195.0895 NA KEGG NA NA +C03405 Lactosylceramide sulfate C31H56NO16SR 195.0895 NA KEGG NA NA +C07921 Metyrosine C10H13NO3 195.0895 NA KEGG NA NA +C07922 Transferred to D00763 C10H13NO3 195.0895 NA KEGG NA NA +C07923 Transferred to D00764 C10H13NO3 195.0895 NA KEGG NA NA +C07924 Transferred to D00765 C10H13NO3 195.0895 NA KEGG NA NA +C07925 Transferred to D00766 C10H13NO3 195.0895 NA KEGG NA NA +C07926 Transferred to D00767 C10H13NO3 195.0895 NA KEGG NA NA +C10588 Damascenine C10H13NO3 195.0895 NA KEGG NA NA +C11820 alpha-Methyl-m-tyrosine C10H13NO3 195.0895 NA KEGG NA NA +C16586 2-Phenyl-1,3-propanediol monocarbamate C10H13NO3 195.0895 NA KEGG NA NA +MJ006495 2-Amino-3-(3-hydroxymethylphenyl)propanoic acid C10H13NO3 195.089543 NA MeJP NA NA +MJ006496 2-Amino-3-(4-hydroxymethylphenyl)propanoic acid C10H13NO3 195.089543 NA MeJP NA NA +MJ006497 2-Amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid C10H13NO3 195.089543 NA MeJP NA NA +MJ006498 2-Amino-3-(4-methoxyphenyl)propanoic acid C10H13NO3 195.089543 NA MeJP NA NA +MJ006499 2-Amino-3-hydroxybenzoic acid; O,N-Di-Me, Me ester C10H13NO3 195.089543 NA MeJP NA NA +MJ006500 2-Hydroxyethyl benzylcarbamate C10H13NO3 195.089543 NA MeJP NA NA +MJ006501 3-Amino-2-hydroxy-4-phenylbutanoic acid C10H13NO3 195.089543 NA MeJP NA NA +MJ006502 4-Ethoxyaniline; N-(Hydroxyacetyl) C10H13NO3 195.089543 NA MeJP NA NA +MJ006503 5-(1-Hydroxyethyl)-3-pyridinecarboxylic acid; Me ether, Me ester C10H13NO3 195.089543 NA MeJP NA NA +MJ006504 5-(3-Hydroxybutyl)-2-pyridinecarboxylic acid C10H13NO3 195.089543 NA MeJP NA NA +MJ006505 Dopamine; N-Ac C10H13NO3 195.089543 NA MeJP NA NA +MJ006506 Linavuline C10H13NO3 195.089543 NA MeJP NA NA +MJ006507 N-Methyltyrosine C10H13NO3 195.089543 NA MeJP NA NA +MetaCyc01768 L-tyrosine-methyl-ester [] C10H13N1O3 195.089543 1080-06-4 metacyc NA NA +MJ006508 Aminometradine C9H13N3O2 195.100776 NA MeJP NA NA +MJ006509 Amisometradine C9H13N3O2 195.100776 NA MeJP NA NA +MJ006510 Carpronium(1+); Chloride C8H18ClNO2 195.102606 NA MeJP NA NA +MJ006511 2-Methyl-6-styrylpyridine C14H13N 195.104799 NA MeJP NA NA +MJ006512 N-Methyl-N-2-propynyl-2-naphthalenamine C14H13N 195.104799 NA MeJP NA NA +MJ006513 1-Amino-1-deoxyglucitol, N-Me C7H17NO5 195.110672 NA MeJP NA NA +MJ006514 2-Amino-1-(2,5-dimethoxyphenyl)propane C11H17NO2 195.125928 NA MeJP NA NA +MJ006515 3,4-Dimethoxyphenethylamine; N-Me C11H17NO2 195.125928 NA MeJP NA NA +MJ006516 4-(3-Aminopropyl)-1,2-benzenediol; Di-Me ether C11H17NO2 195.125928 NA MeJP NA NA +MJ006517 4-Hydroxy-3-methoxyphenethylamine; N,N-Di-Me C11H17NO2 195.125928 NA MeJP NA NA +MJ006518 5-(Hydroxymethyl)-1H-pyrrole-2-carboxaldehyde; N-(3-Methylbutyl) C11H17NO2 195.125928 NA MeJP NA NA +MJ006519 Deterenol C11H17NO2 195.125928 NA MeJP NA NA +MJ006520 Glaucenamide C11H17NO2 195.125928 NA MeJP NA NA +MJ006521 Metaterol C11H17NO2 195.125928 NA MeJP NA NA +MJ006522 Synephrine, ?-Et ether C11H17NO2 195.125928 NA MeJP NA NA +MJ006523 Tecomanine; 4-Hydroxy C11H17NO2 195.125928 NA MeJP NA NA +MJ006524 Coryneine C11H18NO2(+) 195.125928 NA MeJP NA NA +MJ006525 Dolichotheline C10H17N3O 195.137162 NA MeJP NA NA +C16696 Dolichotheline C10H17N3O 195.1372 NA KEGG NA NA +MJ006526 2,4-Octadienoic acid, 2-Methylpropylamide C12H21NO 195.162314 NA MeJP NA NA +MJ006527 2-(1-Piperidinylmethyl)cyclohexanone C12H21NO 195.162314 NA MeJP NA NA +MJ006528 Calyxamine A C12H21NO 195.162314 NA MeJP NA NA +MJ006529 Dicarprine C C12H21NO 195.162314 NA MeJP NA NA +MJ006530 Elaeokanine B C12H21NO 195.162314 NA MeJP NA NA +MJ006531 Pterogynidine C11H21N3 195.173547 NA MeJP NA NA +MJ006532 Pterogynine C11H21N3 195.173547 NA MeJP NA NA +MJ006533 2,5-Dialkylpyrrolidines; 2-Ethyl-5-heptylpyrrolidine, 1,2-Didehydro C13H25N 195.198699 NA MeJP NA NA +MJ006534 2,5-Dialkylpyrrolidines; 2-Ethyl-5-heptylpyrrolidine, 1,5-Didehydro C13H25N 195.198699 NA MeJP NA NA +MJ006535 2-Butyldecahydroquinoline C13H25N 195.198699 NA MeJP NA NA +MJ006536 3-Butyloctahydro-5-methyl-1H-indolizine C13H25N 195.198699 NA MeJP NA NA +MJ006537 4-Methyl-6-propylquinolizidine C13H25N 195.198699 NA MeJP NA NA +MJ006538 Decahydro-2-methyl-5-propylquinoline C13H25N 195.198699 NA MeJP NA NA +MJ006539 Pumiliotoxin C C13H25N 195.198699 NA MeJP NA NA +3354 Antithrombotic peptide DEE 195.55545 MH2+ Inhouse_peptide NA peptide +7794 Antioxidant peptide derived from egg ovalbumin VHH 195.592 MH2+ Inhouse_peptide NA peptide +7985 synthetic peptide HVH 195.592 MH2+ Inhouse_peptide NA peptide +2627 synthetic fr,of human beta-CN (50-52) ACE inhibitor IYP 195.5995 MH2+ Inhouse_peptide NA peptide +7550 ACE inhibitor LYP 195.5995 MH2+ Inhouse_peptide NA peptide +7803 ACE inhibitor from as2-casein IPY 195.5995 MH2+ Inhouse_peptide NA peptide +7807 ACE inhibitor from caprine b-Lg LLF 195.618 MH2+ Inhouse_peptide NA peptide +C07515 Halothane C2HBrClF3 195.8902 NA KEGG NA NA +MJ006540 2-Bromo-2-chloro-1,1,1-trifluoroethane C2HBrClF3 195.890225 NA MeJP NA NA +MJ006541 1,1,3,3-Tetrachloro-2-propanol C3H4Cl4O 195.901625 NA MeJP NA NA +C07098 2,4,6-Trichlorophenol C6H3Cl3O 195.9249 NA KEGG NA NA +C07101 2,4,5-Trichlorophenol C6H3Cl3O 195.9249 NA KEGG NA NA +MJ006542 2,4,5-Trichlorophenol C6H3Cl3O 195.924947 NA MeJP NA NA +MJ006543 2,4,6-Trichlorophenol C6H3Cl3O 195.924947 NA MeJP NA NA +MJ006544 2,4,5-Trichlorophenol C6H3Cl3O 195.924947 NA MeJP NA NA +MetaCyc01769 trichlorophenol [] C6H3O1CL3 195.924948 NA metacyc NA NA +MetaCyc01770 1-carboxyvinyl carboxyphosphonate [carboxyphosphonoenolpyruvate;] C4H5O7P1 195.977289 NA metacyc NA NA +C06367 1-Carboxyvinyl carboxyphosphonate C4H5O7P 195.9773 NA KEGG NA NA +C17946 Carboxyphosphonopyruvate C4H5O7P 195.9773 NA KEGG NA NA +JH051 Allantoin [M+K]+ NA 195.9862 1.37 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH051 Allantoin [M+K]+ NA 195.9862 1.37 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH051 Allantoin [M+K]+ NA 195.9862 1.37 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH051 Allantoin [M+K]+ NA 195.9862 1.37 Inhousejuil11 NA NA +JH079 Aconitic acid (cis-) [M+Na]+ NA 195.9992 7.59 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH079 Aconitic acid (cis-) [M+Na]+ NA 195.9992 7.59 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH079 Aconitic acid (cis-) [M+Na]+ NA 195.9992 7.59 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH079 Aconitic acid (cis-) [M+Na]+ NA 195.9992 7.59 Inhousejuil11 NA NA +MetaCyc01771 xanthine-8-carboxylate [] C6H4N4O4 196.023255 2577-18-6 metacyc NA NA +MetaCyc01772 tetrahydroxypteridine [] C6H4N4O4 196.023255 2817-14-3 metacyc NA NA +C03178 Tetrahydroxypteridine C6H4N4O4 196.0233 NA KEGG NA NA +C03179 Transferrin[Fe(III)]2 C6H4N4O4 196.0233 NA KEGG NA NA +C03314 Xanthine-8-carboxylate C6H4N4O4 196.0233 NA KEGG NA NA +C03315 [Dinitrogen reductase] C7H13N5O2R2 196.0233 NA KEGG NA NA +C03317 alpha-Amino acid ester C2H3NO2R2 196.0233 NA KEGG NA NA +C03318 alpha-Tubulin L-lysine C7H13N3O2R2 196.0233 NA KEGG NA NA +MJ006545 2-(3,5-Hexadien-1-ynyl)-5-(1-propynyl)thiophene, 3',4'-Didehydro C13H8S 196.03467 NA MeJP NA NA +MJ006546 2-(3-Buten-1-ynyl)-5-(1,3-pentadiynyl)thiophene C13H8S 196.03467 NA MeJP NA NA +MJ006547 2-Formyl-3,5-dihydroxy-4-methylbenzoic acid C9H8O5 196.037173 NA MeJP NA NA +MJ006548 3,4,5-Trihydroxy-6-methyl-1,2-benzenedicarboxaldehyde C9H8O5 196.037173 NA MeJP NA NA +MJ006549 3,4,6-Trihydroxy-2-methylbenzoic acid; 3,4-Methylene ether C9H8O5 196.037173 NA MeJP NA NA +MJ006550 3-(2,4,5-Trihydroxyphenyl)-2-propenoic acid C9H8O5 196.037173 NA MeJP NA NA +MJ006551 3-Formyl-2,4-dihydroxy-6-methylbenzoic acid C9H8O5 196.037173 NA MeJP NA NA +MJ006552 3-Hydroxy-4,5-methylenedioxybenzoic acid; Me ether C9H8O5 196.037173 NA MeJP NA NA +MJ006553 4,5,7-Trihydroxy-6-methyl-1(3H)-isobenzofuranone C9H8O5 196.037173 NA MeJP NA NA +MJ006554 3-(3,4-Dihydroxyphenyl)pyruvate C9H8O5 196.037173 NA MeJP NA NA +MetaCyc01773 3,4-dihydroxyphenylpyruvate [3-(3,4-dihydroxyphenyl)-2-oxo-propanoic acid;3-(3,4-dihydroxyphenyl)pyruvate;] C9H8O5 196.037173 NA metacyc NA NA +C04045 3-(3,4-Dihydroxyphenyl)pyruvate C9H8O5 196.0372 NA KEGG NA NA +C04046 3-D-Glucosyl-1,2-diacylglycerol C11H16O10R2 196.0372 NA KEGG NA NA +EUR233 Sialic acid F7 F7 196.039175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR233 Acide sialique F7 NA 196.039175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR233 Sialic acid F7 F7 196.039175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR233 Acide sialique F7 NA 196.039175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR233 Sialic acid F7 F7 196.039175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR233 Acide sialique F7 NA 196.039175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR233 Sialic acid F7 F7 196.039175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR233 Sialic acid F7 F7 196.039175 standards wishlist analysés sur QTOF HMDB NA NA +EUR233 Sialic acid F7 F7 196.039175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR233 Acide sialique F7 NA 196.039175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR233 Sialic acid F7 F7 196.039175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR233 Sialic acid F7 F7 196.039175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ006555 Clominorex C9H9ClN2O 196.04034 NA MeJP NA NA +MJ006556 1-Thioglucose C6H12O5S 196.040544 NA MeJP NA NA +MJ006557 5-Thiomannose; D-Pyranose-form C6H12O5S 196.040544 NA MeJP NA NA +MetaCyc01774 1-thio-β-D-glucose [thioglucose;2-(hydroxymethyl)-6-sulfanyl-tetrahydropyran-3,4,5-triol ] C6H12O5S1 196.040544 NA metacyc NA NA +MJ006558 1-(Methylthio)propyl propyl disulfide C7H16S3 196.041412 NA MeJP NA NA +MJ006559 Ethyl 1-(ethylthio)propyl disulfide C7H16S3 196.041412 NA MeJP NA NA +C07723 4-Hydroxy-9-fluorenone C13H8O2 196.0524 NA KEGG NA NA +C16211 6,7-Benzocoumarin C13H8O2 196.0524 NA KEGG NA NA +MJ006560 3,5,7,9,11-Tridecapentayne-1,2-diol C13H8O2 196.052429 NA MeJP NA NA +MJ006561 4-Hydroxy-9-fluorenone C13H8O2 196.052429 NA MeJP NA NA +MJ006562 5-(6,8-Nona-2,4-diynylidene)-2(5H)-furanone C13H8O2 196.052429 NA MeJP NA NA +MJ006563 Velutyne C13H8O2 196.052429 NA MeJP NA NA +MJ006564 Xanthone C13H8O2 196.052429 NA MeJP NA NA +MetaCyc01775 4-hydroxy-9-fluorenone [] C13H8O2 196.05243 1986-00-1 metacyc NA NA +CJpos0508 ?-hydroxyhippuric acid [(M+H)]+ (13C) C813CH10NO4 196.055975 C18rt(min)=5.18 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0508 ?-hydroxyhippuric acid [(M+H)]+ (13C) C813CH10NO4 196.055975 C18rt(min)=5.18 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJneg0333 m-Hydroxyhippuric acid [(M-H)]- (13C) C813CH8NO4 196.057025 C18rt(min)=6 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0334 o-Hydroxyhippuric acid [(M-H)]- (13C) C813CH8NO4 196.057025 C18rt(min)=6.4 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0335 p-Hydroxyhippuric acid [(M-H)]- (13C) C813CH8NO4 196.057025 C18rt(min)=4.85 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0336 ?-hydroxyhippuric acid [(M-H)]- (13C) C813CH8NO4 196.057025 C18rt(min)=4.99 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0333 m-Hydroxyhippuric acid [(M-H)]- (13C) C813CH8NO4 196.057025 C18rt(min)=6 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0334 o-Hydroxyhippuric acid [(M-H)]- (13C) C813CH8NO4 196.057025 C18rt(min)=6.4 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0335 p-Hydroxyhippuric acid [(M-H)]- (13C) C813CH8NO4 196.057025 C18rt(min)=4.85 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0336 ?-hydroxyhippuric acid [(M-H)]- (13C) C813CH8NO4 196.057025 C18rt(min)=4.99 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +HMDB00565 Galactonic acid C6H12O7 196.0583 http://www.hmdb.ca/metabolites/HMDB00565 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00565 Galactonic acid C6H12O7 196.0583 http://www.hmdb.ca/metabolites/HMDB00565 HMDB NA NA +HMDB00625 Gluconic acid C6H12O7 196.0583 http://www.hmdb.ca/metabolites/HMDB00625 HMDB NA NA +HMDB03290 Gulonic acid C6H12O7 196.0583 http://www.hmdb.ca/metabolites/HMDB03290 HMDB NA NA +C00257 D-Gluconic acid C6H12O7 196.0583 NA KEGG NA NA +C00514 D-Mannonate C6H12O7 196.0583 NA KEGG NA NA +C00770 L-Idonate C6H12O7 196.0583 NA KEGG NA NA +C00771 Laminarin C12H22O11 196.0583 NA KEGG NA NA +C00800 L-Gulonate C6H12O7 196.0583 NA KEGG NA NA +C00801 Nucleoside C5H9O4R 196.0583 NA KEGG NA NA +C00817 D-Altronate C6H12O7 196.0583 NA KEGG NA NA +C00880 D-Galactonate C6H12O7 196.0583 NA KEGG NA NA +C03215 2-Carboxy-D-arabinitol C6H12O7 196.0583 NA KEGG NA NA +C15930 L-Galactonate C6H12O7 196.0583 NA KEGG NA NA +C15931 Magainin 1 C6H12O7 196.0583 NA KEGG NA NA +HMDB00565 Galactonic acid C6H12O7 196.0583 http://www.hmdb.ca/metabolites/HMDB00565 PFEM_hmdb_metabocards_blood NA blood +HMDB00565 Galactonic acid C6H12O7 196.0583 HMDB00565 PFEM_hmdb_metabocards_official NA NA +HMDB00625 Gluconic acid C6H12O7 196.0583 HMDB00625 PFEM_hmdb_metabocards_official NA NA +HMDB03290 Gulonic acid C6H12O7 196.0583 HMDB03290 PFEM_hmdb_metabocards_official NA NA +MJ006565 D-Galactonate C6H12O7 196.058302 NA MeJP NA NA +MJ006566 D-Gluconic acid C6H12O7 196.058302 NA MeJP NA NA +MJ006567 D-Mannonate C6H12O7 196.058302 NA MeJP NA NA +MJ006568 L-Gulonate C6H12O7 196.058302 NA MeJP NA NA +MJ006569 2-C-(Hydroxymethyl)ribonic acid C6H12O7 196.058302 NA MeJP NA NA +MetaCyc01776 L-idonate [L-idonic acid;] C6H12O7 196.058303 1114-17-6 metacyc NA NA +MetaCyc01777 gluconate [D-gluconate;D-gluconoate;gluconic acid;D-gluconic acid;dextronic acid;aldonic acid;maltonic acid;] C6H12O7 196.058303 526-95-4 metacyc NA NA +MetaCyc01778 D-galactonate [galactonate;] C6H12O7 196.058303 NA metacyc NA NA +MetaCyc01779 D-altronate [altronate;] C6H12O7 196.058303 NA metacyc NA NA +MetaCyc01780 2-carboxy-D-arabinitol [] C6H12O7 196.058303 NA metacyc NA NA +MetaCyc01781 D-mannonate [mannonate;] C6H12O7 196.058303 NA metacyc NA NA +MetaCyc01782 L-gulonate [gulonate;] C6H12O7 196.058303 NA metacyc NA NA +MetaCyc01783 D-gulonate [] C6H12O7 196.058303 NA metacyc NA NA +HMDB00565 Galactonic acid C6H12O7 196.058304 NA HMDB2010 NA NA +HMDB00625 Gluconic acid C6H12O7 196.058304 NA HMDB2010 NA NA +HMDB03290 Gulonic acid C6H12O7 196.058304 NA HMDB2010 NA NA +CJneg0337 Gluconic acid (and isomers) [(M-H)]- C6H11O7 196.058825 C18rt(min)=0.88 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0337 Gluconic acid (and isomers) [(M-H)]- C6H11O7 196.058825 C18rt(min)=0.88 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0509 3,7-Dimethyluric acid [(M+H)]+ C7H9N4O3 196.059075 C18rt(min)=4.3 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0510 1,7-dimethyluric acid [(M+H)]+ C7H9N4O3 196.059075 C18rt(min)=4.96 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0511 1,3-dimethyluric acid [(M+H)]+ C7H9N4O3 196.059075 C18rt(min)=4.67 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0512 Dimethyluric acid isomer [(M+H)]+ C7H9N4O3 196.059075 C18rt(min)=5.1 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0513 Dimethyluric acid isomer [(M+H)]+ C7H9N4O3 196.059075 C18rt(min)=6 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0514 Dimethyluric acid isomer [(M+H)]+ C7H9N4O3 196.059075 C18rt(min)=4.8 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0509 3,7-Dimethyluric acid [(M+H)]+ C7H9N4O3 196.059075 C18rt(min)=4.3 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0510 1,7-dimethyluric acid [(M+H)]+ C7H9N4O3 196.059075 C18rt(min)=4.96 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0511 1,3-dimethyluric acid [(M+H)]+ C7H9N4O3 196.059075 C18rt(min)=4.67 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0512 Dimethyluric acid isomer [(M+H)]+ C7H9N4O3 196.059075 C18rt(min)=5.1 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0513 Dimethyluric acid isomer [(M+H)]+ C7H9N4O3 196.059075 C18rt(min)=6 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0514 Dimethyluric acid isomer [(M+H)]+ C7H9N4O3 196.059075 C18rt(min)=4.8 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C16356 1,7-Dimethyluric acid C7H8N4O3 196.0596 NA KEGG NA NA +C16360 3,7-Dimethyluric acid C7H8N4O3 196.0596 NA KEGG NA NA +MJ006570 Uric acid; 1,3-Di-Me C7H8N4O3 196.05964 NA MeJP NA NA +HMDB01857 1,3-Dimethyluric acid C7H8N4O3 196.059647 NA HMDB2010 NA NA +HMDB01982 3,7-Dimethyluric acid C7H8N4O3 196.059647 NA HMDB2010 NA NA +HMDB02026 1,9-Dimethyluric acid C7H8N4O3 196.059647 NA HMDB2010 NA NA +HMDB04308 7,9-Dimethyluric acid C7H8N4O3 196.059647 NA HMDB2010 NA NA +HMDB11103 1,7-Dimethyluric acid C7H8N4O3 196.059647 NA HMDB2010 NA NA +HMDB01857 1,3-Dimethyluric acid C7H8N4O3 196.05965 http://www.hmdb.ca/metabolites/HMDB01857 HMDB NA NA +HMDB01982 3,7-Dimethyluric acid C7H8N4O3 196.05965 http://www.hmdb.ca/metabolites/HMDB01982 HMDB NA NA +HMDB02026 1,9-Dimethyluric acid C7H8N4O3 196.05965 http://www.hmdb.ca/metabolites/HMDB02026 HMDB NA NA +HMDB04308 7,9-Dimethyluric acid C7H8N4O3 196.05965 http://www.hmdb.ca/metabolites/HMDB04308 HMDB NA NA +HMDB01857 1,3-Dimethyluric acid C7H8N4O3 196.05965 HMDB01857 PFEM_hmdb_metabocards_official NA NA +HMDB01982 3,7-Dimethyluric acid C7H8N4O3 196.05965 HMDB01982 PFEM_hmdb_metabocards_official NA NA +HMDB02026 1,9-Dimethyluric acid C7H8N4O3 196.05965 HMDB02026 PFEM_hmdb_metabocards_official NA NA +HMDB04308 7,9-Dimethyluric acid C7H8N4O3 196.05965 HMDB04308 PFEM_hmdb_metabocards_official NA NA +CJneg0338 1,3-dimethyluric acid [(M-H)]- C7H7N4O3 196.060225 C18rt(min)=4.67 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0339 1,7-dimethyluric acid [(M-H)]- C7H7N4O3 196.060225 C18rt(min)=4.96 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0340 3,7-Dimethyluric acid [(M-H)]- C7H7N4O3 196.060225 C18rt(min)=4.3 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0338 1,3-dimethyluric acid [(M-H)]- C7H7N4O3 196.060225 C18rt(min)=4.67 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0339 1,7-dimethyluric acid [(M-H)]- C7H7N4O3 196.060225 C18rt(min)=4.96 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0340 3,7-Dimethyluric acid [(M-H)]- C7H7N4O3 196.060225 C18rt(min)=4.3 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ006571 Alafosfalin C5H13N2O4P 196.061293 NA MeJP NA NA +MJ006572 1-Phenazinol C12H8N2O 196.063662 NA MeJP NA NA +MJ006573 2-Phenazinol C12H8N2O 196.063662 NA MeJP NA NA +MJ006574 ?-Carboline-1-carboxaldehyde C12H8N2O 196.063662 NA MeJP NA NA +MetaCyc01784 pyocyanine-reduced [pyocyanine-red;] C12H8N2O1 196.063663 528-71-2 metacyc NA NA +MJ006575 4'-Ethynyl-2-fluoro-1,1'-biphenyl C14H9F 196.068828 NA MeJP NA NA +MJ006576 4,8-Diazido-2,6-dioxabicyclo[3.3.0]octane C6H8N6O2 196.070873 NA MeJP NA NA +MJ006577 1-(2,4,6-Trihydroxyphenyl)-1-butanone C10H12O4 196.073558 NA MeJP NA NA +MJ006578 1-(3,4-Dihydroxyphenyl)-1,2-propanediol; 3',4'-Methylene ether C10H12O4 196.073558 NA MeJP NA NA +MJ006579 1-(3,4-Dihydroxyphenyl)-3-hydroxy-1-propanone; 3'-Me ether C10H12O4 196.073558 NA MeJP NA NA +MJ006580 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid; Et ester C10H12O4 196.073558 NA MeJP NA NA +MJ006581 2',4',6'-Trihydroxy-3'-methylacetophenone; 2'-Me ether C10H12O4 196.073558 NA MeJP NA NA +MJ006582 2',4',6'-Trihydroxy-3'-methylacetophenone; 4'-Me ether C10H12O4 196.073558 NA MeJP NA NA +MJ006583 2',4',6'-Trihydroxy-3'-methylacetophenone; 6'-Me ether C10H12O4 196.073558 NA MeJP NA NA +MJ006584 2',4',6'-Trihydroxyacetophenone; 2',4'-Di-Me ether C10H12O4 196.073558 NA MeJP NA NA +MJ006585 2',4',6'-Trihydroxyacetophenone; 2',6'-Di-Me ether C10H12O4 196.073558 NA MeJP NA NA +MJ006586 2,3-Dihydroxy-5,6-dimethyl-1,4-benzoquinone; Di-Me ether C10H12O4 196.073558 NA MeJP NA NA +MJ006587 2,4,5-Trihydroxybenzaldehyde; 2,4,5-Tri-Me ether C10H12O4 196.073558 NA MeJP NA NA +MJ006588 2,4-Dihydroxy-3,5,6-trimethylbenzoic acid C10H12O4 196.073558 NA MeJP NA NA +MJ006589 2,4-Dihydroxy-3,6-dimethylbenzoic acid; 4-Me ether C10H12O4 196.073558 NA MeJP NA NA +MJ006590 2,4-Dihydroxy-3,6-dimethylbenzoic acid; Me ester C10H12O4 196.073558 NA MeJP NA NA +MJ006591 2,4-Dihydroxy-6-hydroxymethylbenzaldehyde; 1',2-Di-Me ether C10H12O4 196.073558 NA MeJP NA NA +MJ006592 2,4-Dihydroxy-6-methylbenzoic acid; 4-Me ether, Me ester C10H12O4 196.073558 NA MeJP NA NA +MJ006593 2,4-Dihydroxy-6-methylbenzoic acid; Et ester C10H12O4 196.073558 NA MeJP NA NA +MJ006594 2,4-Dihydroxy-6-propylbenzoic acid C10H12O4 196.073558 NA MeJP NA NA +MJ006595 2,5-Dihydroxy-3,6-dimethyl-1,4-benzoquinone; 2,5-Di-Me ether C10H12O4 196.073558 NA MeJP NA NA +MJ006596 2-(3,4-Dihydroxyphenyl)-1,3-propanediol; 3',4'-Methylene ether C10H12O4 196.073558 NA MeJP NA NA +MJ006597 2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone C10H12O4 196.073558 NA MeJP NA NA +MJ006598 3',4',5'-Trihydroxyacetophenone; 3',5'-Di-Me ether C10H12O4 196.073558 NA MeJP NA NA +MJ006599 3,4,5-Trihydroxybenzaldehyde; Tri-Me ether C10H12O4 196.073558 NA MeJP NA NA +MJ006600 3,5-Dimethoxybenzoic acid; Me ester C10H12O4 196.073558 NA MeJP NA NA +MJ006601 3,6-Dihydroxy-p-mentha-3,6-diene-2,5-dione C10H12O4 196.073558 NA MeJP NA NA +MJ006602 3-(3,4-Dihydroxyphenyl)propanoic acid; 3-Me ether C10H12O4 196.073558 NA MeJP NA NA +MJ006603 3-(3,4-Methylenedioxyphenyl)-1,2-propanediol C10H12O4 196.073558 NA MeJP NA NA +MJ006604 4,9-Dioxo-2,7-decadienoic acid C10H12O4 196.073558 NA MeJP NA NA +MJ006605 4-Hydroxy-6-methyl-3-(1-oxobutyl)-2H-pyran-2-one C10H12O4 196.073558 NA MeJP NA NA +MJ006606 5-Methyl-1,2,3,4-benzenetetrol; 1,4-Di-Me, 2,3-methylene ether C10H12O4 196.073558 NA MeJP NA NA +MJ006607 Amagnalactone C10H12O4 196.073558 NA MeJP NA NA +MJ006608 Batatic acid C10H12O4 196.073558 NA MeJP NA NA +MJ006609 Cantharidin C10H12O4 196.073558 NA MeJP NA NA +MJ006610 Chilenone A C10H12O4 196.073558 NA MeJP NA NA +MJ006611 Cladobotrin V C10H12O4 196.073558 NA MeJP NA NA +MJ006612 Clivonecic acid C10H12O4 196.073558 NA MeJP NA NA +MJ006613 Curvulol C10H12O4 196.073558 NA MeJP NA NA +MJ006614 Decarestrictine A1; 3-Ketone C10H12O4 196.073558 NA MeJP NA NA +MJ006615 Epoxyconiferyl alcohol C10H12O4 196.073558 NA MeJP NA NA +MJ006616 Gelsemide; 7-Deoxy C10H12O4 196.073558 NA MeJP NA NA +MJ006617 Gelsemide; 9-Deoxy C10H12O4 196.073558 NA MeJP NA NA +MJ006618 Hallerone C10H12O4 196.073558 NA MeJP NA NA +MJ006619 Naucledal C10H12O4 196.073558 NA MeJP NA NA +MJ006620 Paeonilactone A; 7,9-Didehydro C10H12O4 196.073558 NA MeJP NA NA +MJ006621 Pestalopyrone; 3'-Hydroxy C10H12O4 196.073558 NA MeJP NA NA +MJ006622 Phomalactone; Ac C10H12O4 196.073558 NA MeJP NA NA +MJ006623 Pyrenolide B; 8-Hydroxy C10H12O4 196.073558 NA MeJP NA NA +MJ006624 Ramulosin; 4?-Hydroxy, 6,7-didehydro C10H12O4 196.073558 NA MeJP NA NA +MJ006625 Ramulosin; 4?-Hydroxy, 6,7-didehydro C10H12O4 196.073558 NA MeJP NA NA +MJ006626 Telephinone a C10H12O4 196.073558 NA MeJP NA NA +MJ006627 2,3-Dihydroxy-p-cumate C10H12O4 196.073558 NA MeJP NA NA +MetaCyc01785 2,3-dihydroxy-p-cumate [4-isopropyl-o-pyrocatechuic acid;2,3-dihydroxy-4-(1-methylethyl)-benzoic acid;] C10H12O4 196.073559 19420-61-2 metacyc NA NA +MetaCyc01786 5-hydroxy-coniferyl-alcohol [] C10H12O4 196.073559 NA metacyc NA NA +MetaCyc01787 phlorisobutyrophenone [] C10H12O4 196.073559 NA metacyc NA NA +HMDB00434 Homoveratric acid C10H12O4 196.07356 http://www.hmdb.ca/metabolites/HMDB00434 HMDB NA NA +HMDB00434 Homoveratric acid C10H12O4 196.07356 HMDB00434 PFEM_hmdb_metabocards_official NA NA +HMDB00434 Homoveratric acid C10H12O4 196.073563 NA HMDB2010 NA NA +C06580 2,3-Dihydroxy-p-cumate C10H12O4 196.0736 NA KEGG NA NA +C10664 Acetosyringone C10H12O4 196.0736 NA KEGG NA NA +C10684 2',6'-Dimethoxy-4'-hydroxyacetophenone C10H12O4 196.0736 NA KEGG NA NA +C10726 Xanthoxylin C10H12O4 196.0736 NA KEGG NA NA +C12205 5-Hydroxyconiferyl alcohol C10H12O4 196.0736 NA KEGG NA NA +C16778 Cantharidin C10H12O4 196.0736 NA KEGG NA NA +C17455 Paeonilactone B C10H12O4 196.0736 NA KEGG NA NA +JH126 Hydroferulic acid C10H12O4 196.0754 Rtobs12.75 PFEM_hmdb_metabocards_urine NA urine +JH126 Hydroferulic acid [M+H]+ C10H12O4 196.0754 12.75 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH126 Hydroferulic acid C10H12O4 196.0754 Rtobs12.75 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH126 Hydroferulic acid [M+H]+ C10H12O4 196.0754 12.75 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH126 Hydroferulic acid C10H12O4 196.0754 Rtobs12.75 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH126 Hydroferulic acid [M+H]+ C10H12O4 196.0754 12.75 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH126 Hydroferulic acid C10H12O4 196.0754 Rtobs12.75 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH126 Hydroferulic acid C10H12O4 196.0754 Rtobs12.75 HMDB NA NA +JH126 Hydroferulic acid C10H12O4 196.0754 Rtobs12.75 Inhouse_PFEM NA NA +JH126 Hydroferulic acid [M+H]+ C10H12O4 196.0754 12.75 Inhousejuil11 NA NA +JH126 Hydroferulic acid C10H12O4 196.0754 Rtobs12.75 PFEM_hmdb_metabocards_blood NA blood +JH126 Hydroferulic acid C10H12O4 196.0754 Rtobs12.75 PFEM_hmdb_metabocards_official NA NA +C11738 m-Chlorophenylpiperazine C10H13ClN2 196.0767 NA KEGG NA NA +C14746 Chlorphenamidine C10H13ClN2 196.0767 NA KEGG NA NA +MJ006628 1-(2-Oxo-5-pyrrolidinyl)-5-hydroxy-3-methyl-3-pyrrolin-2-one C9H12N2O3 196.084792 NA MeJP NA NA +MJ006629 2-Amino-4,5-dihydroxybenzoic acid; N-Et, amide C9H12N2O3 196.084792 NA MeJP NA NA +MJ006630 5-Allyl-5-ethylbarbituric acid C9H12N2O3 196.084792 NA MeJP NA NA +C14763 trans-4-Hydroxystilbene C14H12O 196.0888 NA KEGG NA NA +C16014 cis-Stilbene oxide C14H12O 196.0888 NA KEGG NA NA +MJ006631 1-(4-Hydroxyphenyl)-2-phenylethylene C14H12O 196.088815 NA MeJP NA NA +MJ006632 7-Deoxy-D-glycero-D-manno-heptitol C7H16O6 196.094688 NA MeJP NA NA +MJ006633 1H-Imidazole-4,5-dicarboxamide; N1,4N,5N-Tri-Me C8H12N4O2 196.096025 NA MeJP NA NA +MJ006634 Bethanechol(1+), Chloride C7H17ClN2O2 196.097855 NA MeJP NA NA +MJ006635 1-Ethyl-?-carboline C13H12N2 196.100048 NA MeJP NA NA +MJ006636 1-Methyl-?-carboline; Nb-Me C13H13N2(+) 196.100048 NA MeJP NA NA +MJ006637 Manozodil C10H16N2S 196.103419 NA MeJP NA NA +MJ006638 1-(4-Hydroxyphenyl)-1,2-propanediol, 1-Et ether C11H16O3 196.109944 NA MeJP NA NA +MJ006639 2-(2-Butenylidene)-5-heptene-1,3,4-triol, 11-Aldehyde C11H16O3 196.109944 NA MeJP NA NA +MJ006640 2-Acetyl-4,4,6-trimethyl-1,3-cyclohexanedione C11H16O3 196.109944 NA MeJP NA NA +MJ006641 3-(1-Hexenyl)-5-(hydroxymethyl)-2(5H)-furanone C11H16O3 196.109944 NA MeJP NA NA +MJ006642 3-(1-Hexenyl)-5-hydroxy-5-methyl-2(5H)-furanone C11H16O3 196.109944 NA MeJP NA NA +MJ006643 3-Ethyl-1,8-dimethyl-2,9-dioxabicyclo[3.3.1]non-7-ene; 6-Oxo C11H16O3 196.109944 NA MeJP NA NA +MJ006644 3-Ethyl-4-hydroxy-6-(1-methylpropyl)-2H-pyran-2-one C11H16O3 196.109944 NA MeJP NA NA +MJ006645 4,7-Dihydroxy-3,7-dimethyl-2,8-nonadienoic acid, 1,4-Lactone C11H16O3 196.109944 NA MeJP NA NA +MJ006646 4-(3,4-Dihydroxyphenyl)-2-butanol, 3'-Me ether C11H16O3 196.109944 NA MeJP NA NA +MJ006647 4-Isopropyl-1,2,3-benzenetriol; 1,2-Di-Me ether C11H16O3 196.109944 NA MeJP NA NA +MJ006648 4-Isopropyl-7-oxo-5-octen-4-olide C11H16O3 196.109944 NA MeJP NA NA +MJ006649 7-Deoxypanepoxydol C11H16O3 196.109944 NA MeJP NA NA +MJ006650 Artselaenin A C11H16O3 196.109944 NA MeJP NA NA +MJ006651 Fucusic acid C11H16O3 196.109944 NA MeJP NA NA +MJ006652 Kobifuranone A C11H16O3 196.109944 NA MeJP NA NA +MJ006653 Kobifuranone B; 2-Deoxo, 5-oxo, 3,4-dihydro C11H16O3 196.109944 NA MeJP NA NA +MJ006654 Loliolide C11H16O3 196.109944 NA MeJP NA NA +MJ006655 Spiroxabovolide C11H16O3 196.109944 NA MeJP NA NA +MJ006656 Ulufuranol C11H16O3 196.109944 NA MeJP NA NA +EUR472 Thromboxane B2 F5 F5 196.111225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR472 Thromboxane B2 F5 NA 196.111225 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR472 Thromboxane B2 F5 F5 196.111225 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR472 Thromboxane B2 F5 NA 196.111225 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR472 Thromboxane B2 F5 F5 196.111225 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR472 Thromboxane B2 F5 NA 196.111225 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR472 Thromboxane B2 F5 F5 196.111225 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR472 Thromboxane B2 F5 F5 196.111225 standards wishlist analysés sur QTOF HMDB NA NA +EUR472 Thromboxane B2 F5 F5 196.111225 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR472 Thromboxane B2 F5 NA 196.111225 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR472 Thromboxane B2 F5 F5 196.111225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR472 Thromboxane B2 F5 F5 196.111225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +7488 ACE inhibitor (fragment of bovine b-LG) VFK 196.115 MH2+ Inhouse_peptide NA peptide +MJ006657 1H-Imidazole-1-heptanoic acid C10H16N2O2 196.121177 NA MeJP NA NA +MJ006658 2-Amino-4-(4-amino-2,5-cyclohexadienyl)butanoic acid; (S)-trans-form C10H16N2O2 196.121177 NA MeJP NA NA +MJ006659 2-Isopropyl-3,5-dimethoxy-6-methylpyrazine C10H16N2O2 196.121177 NA MeJP NA NA +MJ006660 Amiclenomycin C10H16N2O2 196.121177 NA MeJP NA NA +MJ006661 Cyclo(prolylvalyl) C10H16N2O2 196.121177 NA MeJP NA NA +MJ006662 Fasoracetam C10H16N2O2 196.121177 NA MeJP NA NA +MJ006663 Loline; N-Ac C10H16N2O2 196.121177 NA MeJP NA NA +MJ006664 Loline; N-De-Me, N-propanoyl C10H16N2O2 196.121177 NA MeJP NA NA +MJ006665 N,N-Diethyl-3,5-dimethyl-4-isoxazolecarboxamide C10H16N2O2 196.121177 NA MeJP NA NA +C13311 Fasoracetam C10H16N2O2 196.1212 NA KEGG NA NA +C13312 Transferred to D01840 C10H16N2O2 196.1212 NA KEGG NA NA +C13313 Transferred to D01841 C10H16N2O2 196.1212 NA KEGG NA NA +C13314 Transferred to D01842 C10H16N2O2 196.1212 NA KEGG NA NA +C13315 Transferred to D01843 C10H16N2O2 196.1212 NA KEGG NA NA +C13316 Transferred to D01844 C10H16N2O2 196.1212 NA KEGG NA NA +C13317 Transferred to D01845 C10H16N2O2 196.1212 NA KEGG NA NA +C13318 Transferred to D01846 C10H16N2O2 196.1212 NA KEGG NA NA +C13319 Transferred to D01847 C10H16N2O2 196.1212 NA KEGG NA NA +C13320 Transferred to D01848 C10H16N2O2 196.1212 NA KEGG NA NA +C13321 Transferred to D01849 C10H16N2O2 196.1212 NA KEGG NA NA +C13322 Transferred to D01850 C10H16N2O2 196.1212 NA KEGG NA NA +C13323 Transferred to D01851 C10H16N2O2 196.1212 NA KEGG NA NA +C13324 Transferred to D01852 C10H16N2O2 196.1212 NA KEGG NA NA +C13325 Transferred to D01853 C10H16N2O2 196.1212 NA KEGG NA NA +C14581 1,3-Diphenylpropane C15H16 196.1252 NA KEGG NA NA +MJ006666 1,7-Epidioxy-5-guaiene C15H16 196.1252 NA MeJP NA NA +MJ006667 8,10-Pentadecadiene-2,4,6-triyne C15H16 196.1252 NA MeJP NA NA +MJ006668 Lactarofulvene C15H16 196.1252 NA MeJP NA NA +MJ006669 Rolgamidine C9H16N4O 196.132411 NA MeJP NA NA +C17486 Coryneine C11H18NO2 196.1338 NA KEGG NA NA +MJ006670 1,3,5-Triazine-2,4,6-triamine; N-Penta-Me C8H16N6 196.143644 NA MeJP NA NA +C08486 Ethyl(E,Z)-decadienoate C12H20O2 196.1463 NA KEGG NA NA +C09837 (1S,2R,4S)-(-)-Bornyl acetate C12H20O2 196.1463 NA KEGG NA NA +C09861 Geranyl acetate C12H20O2 196.1463 NA KEGG NA NA +C09863 Linalyl acetate C12H20O2 196.1463 NA KEGG NA NA +C11338 Bornyl acetate C12H20O2 196.1463 NA KEGG NA NA +C12300 alpha-Terpinyl acetate C12H20O2 196.1463 NA KEGG NA NA +C12301 beta-Terpinyl acetate C12H20O2 196.1463 NA KEGG NA NA +C12302 gamma-Terpinyl acetate C12H20O2 196.1463 NA KEGG NA NA +C12306 Allyl cyclohexylpropionate C12H20O2 196.1463 NA KEGG NA NA +MJ006671 1-(2-Hydroxyethyl)-2-isopropenyl-1-methylcyclobutane, Ac C12H20O2 196.146329 NA MeJP NA NA +MJ006672 11-Methyl-3-undecenolide C12H20O2 196.146329 NA MeJP NA NA +MJ006673 12-Hydroxy-3-dodecenoic acid, Lactone C12H20O2 196.146329 NA MeJP NA NA +MJ006674 12-Hydroxy-9-dodecenoic acid, Lactone C12H20O2 196.146329 NA MeJP NA NA +MJ006675 2,4-Decadienoic acid, Et ester C12H20O2 196.146329 NA MeJP NA NA +MJ006676 2,4-Dodecadienoic acid C12H20O2 196.146329 NA MeJP NA NA +MJ006677 2-Cyclopentene-1-heptanoic acid C12H20O2 196.146329 NA MeJP NA NA +MJ006678 3,3,6-Trimethyl-1,5-heptadien-4-ol, Ac C12H20O2 196.146329 NA MeJP NA NA +MJ006679 3,4,5-Trimethyl-5-pentyl-2(5H)-furanone C12H20O2 196.146329 NA MeJP NA NA +MJ006680 3,4-Di-1-butenyltetrahydro-2-furanol C12H20O2 196.146329 NA MeJP NA NA +MJ006681 3,7-Dimethyl-1,6-octadien-3-ol, Ac C12H20O2 196.146329 NA MeJP NA NA +MJ006682 3,7-Dimethyl-2,6-octadien-1-ol, Ac C12H20O2 196.146329 NA MeJP NA NA +MJ006683 3-Heptyl-5-methyl-2(5H)-furanone C12H20O2 196.146329 NA MeJP NA NA +MJ006684 3-Hexen-1-ol, 4-Hexenoyl(E-) C12H20O2 196.146329 NA MeJP NA NA +MJ006685 4-Hydroxy-11,12,13-trinor-7-eudesmanone C12H20O2 196.146329 NA MeJP NA NA +MJ006686 4-Isopropyl-7-methyl-5,7-octadienoic acid C12H20O2 196.146329 NA MeJP NA NA +MJ006687 5-Methyl-3-(5-methylhexyl)-2(5H)-furanone C12H20O2 196.146329 NA MeJP NA NA +MJ006688 6-Heptyl-5,6-dihydro-2H-pyran-2-one C12H20O2 196.146329 NA MeJP NA NA +MJ006689 7,9-Decadien-1-ol, Ac C12H20O2 196.146329 NA MeJP NA NA +MJ006690 8-Dodecen-11-olide C12H20O2 196.146329 NA MeJP NA NA +MJ006691 9-Hydroxy-8-methyl-4,6-undecadien-3-one C12H20O2 196.146329 NA MeJP NA NA +MJ006692 ?-Necrodol; ?4,5-Isomer, Ac C12H20O2 196.146329 NA MeJP NA NA +MJ006693 Campholenic alcohol; Ac C12H20O2 196.146329 NA MeJP NA NA +MJ006694 Dihydro-5-(1-octenyl)-2(3H)-furanone C12H20O2 196.146329 NA MeJP NA NA +MJ006695 Dihydro-5-(2-octenyl)-2(3H)-furanone C12H20O2 196.146329 NA MeJP NA NA +MJ006696 Dodecahydro-4a-hydroxy-1(2H)-benzocyclooctenone C12H20O2 196.146329 NA MeJP NA NA +MJ006697 Phoracantholide M C12H20O2 196.146329 NA MeJP NA NA +MJ006698 Planococcol, Ac C12H20O2 196.146329 NA MeJP NA NA +MJ006699 Santolina alcohol, Ac C12H20O2 196.146329 NA MeJP NA NA +MJ006700 p-Menth-1-en-4-ol, Ac C12H20O2 196.146329 NA MeJP NA NA +MJ006701 p-Menth-4(8)-en-2-ol, Ac C12H20O2 196.146329 NA MeJP NA NA +EUR525 12,13-EPOME F4 F4 196.148025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR525 12,13-EPOME F4 NA 196.148025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR525 12,13-EPOME F4 F4 196.148025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR525 12,13-EPOME F4 NA 196.148025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR525 12,13-EPOME F4 F4 196.148025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR525 12,13-EPOME F4 NA 196.148025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR525 12,13-EPOME F4 F4 196.148025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR525 12,13-EPOME F4 F4 196.148025 standards wishlist analysés sur QTOF HMDB NA NA +EUR525 12,13-EPOME F4 F4 196.148025 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR525 12,13-EPOME F4 NA 196.148025 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR525 12,13-EPOME F4 F4 196.148025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR525 12,13-EPOME F4 F4 196.148025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ006702 Spirgetine C10H20N4 196.168796 NA MeJP NA NA +MJ006703 12-Tridecen-2-one C13H24O 196.182715 NA MeJP NA NA +MJ006704 2-Methylcyclododecanone C13H24O 196.182715 NA MeJP NA NA +MJ006705 3-Tridecen-2-one C13H24O 196.182715 NA MeJP NA NA +MJ006706 4,7-Tridecadien-1-ol C13H24O 196.182715 NA MeJP NA NA +MJ006707 4-Tridecenal C13H24O 196.182715 NA MeJP NA NA +MJ006708 5-Tridecenal C13H24O 196.182715 NA MeJP NA NA +MJ006709 6-Tridecenal C13H24O 196.182715 NA MeJP NA NA +MJ006710 7-Tridecenal C13H24O 196.182715 NA MeJP NA NA +MJ006711 1-Tetradecene C14H28 196.2191 NA MeJP NA NA +MJ006712 Cyclotetradecane C14H28 196.2191 NA MeJP NA NA +7923 synthetic peptide THH 196.5815 MH2+ Inhouse_peptide NA peptide +7541 ACE inhibitor from wheat germ hydrolysate IVY 196.6075 MH2+ Inhouse_peptide NA peptide +7749 ACE inhibitor from sea bream scales hydrolysate VIY 196.6075 MH2+ Inhouse_peptide NA peptide +8150 peptide derived from bovine kappa-casein (30-32) YVL 196.6075 MH2+ Inhouse_peptide NA peptide +8268 f(30-32) of bovine kappa casein YVL 196.6075 MH2+ Inhouse_peptide NA peptide +MJ006713 Tetraaquadichloromanganese(II) Cl2H8MnO4 196.918013 NA MeJP NA NA +MJ006714 1,3-Dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione C3HCl2N3O3 196.939496 NA MeJP NA NA +HMDB04138 Gold [Au]+ 196.966568 NA HMDB2010 NA NA +HMDB04138 Gold Au 196.96657 http://www.hmdb.ca/metabolites/HMDB04138 PFEM_hmdb_metabocards_urine NA urine +HMDB04138 Gold Au 196.96657 http://www.hmdb.ca/metabolites/HMDB04138 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04138 Gold Au 196.96657 http://www.hmdb.ca/metabolites/HMDB04138 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04138 Gold Au 196.96657 http://www.hmdb.ca/metabolites/HMDB04138 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04138 Gold Au 196.96657 http://www.hmdb.ca/metabolites/HMDB04138 HMDB NA NA +HMDB04138 Gold Au 196.96657 http://www.hmdb.ca/metabolites/HMDB04138 PFEM_hmdb_metabocards_blood NA blood +HMDB04138 Gold Au 196.96657 HMDB04138 PFEM_hmdb_metabocards_official NA NA +HMDB06905 Acylglycerone phosphate C4H6O7P 196.98511 http://www.hmdb.ca/metabolites/HMDB06905 HMDB NA NA +HMDB06905 Acylglycerone phosphate C4H6O7P 196.98511 HMDB06905 PFEM_hmdb_metabocards_official NA NA +MetaCyc01788 2-oxopropyl-CoM [2-oxopropyl-CoM;] C5H9O4S2 196.994225 NA metacyc NA NA +HMDB03966 Selenomethionine C5H11NO2Se 196.995499 NA HMDB2010 NA NA +HMDB03966 Selenomethionine C5H11NO2Se 196.9955 http://www.hmdb.ca/metabolites/HMDB03966 PFEM_hmdb_metabocards_urine NA urine +HMDB03966 Selenomethionine C5H11NO2Se 196.9955 http://www.hmdb.ca/metabolites/HMDB03966 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03966 Selenomethionine C5H11NO2Se 196.9955 http://www.hmdb.ca/metabolites/HMDB03966 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB03966 Selenomethionine C5H11NO2Se 196.9955 http://www.hmdb.ca/metabolites/HMDB03966 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB03966 Selenomethionine C5H11NO2Se 196.9955 http://www.hmdb.ca/metabolites/HMDB03966 HMDB NA NA +C05335 L-Selenomethionine C5H11NO2Se 196.9955 NA KEGG NA NA +C05336 Selenomethionyl-tRNA(Met) C20H30N6O11PSeR 196.9955 NA KEGG NA NA +MJ006715 Selenomethionine C5H11NO2Se 196.9955 NA MeJP NA NA +HMDB03966 Selenomethionine C5H11NO2Se 196.9955 http://www.hmdb.ca/metabolites/HMDB03966 PFEM_hmdb_metabocards_blood NA blood +HMDB03966 Selenomethionine C5H11NO2Se 196.9955 HMDB03966 PFEM_hmdb_metabocards_official NA NA +HMDB03966 Selenomethionine C5H11NO2Se 196.9955 NA ;SYN:(+)-Pipecolic acid; (+)-Pipecolinic acid; (2R)-2-Piperidinecarboxylic acid; (2R)-piperidine-2-carboxylic acid; (R)-()-2-Piperidinecarboxylic acid; (R)-(+)-Pipecolic acid; (R)-2-Piperidinecarboxylic acid; (R)-Pipecolic acid; (R)-Pipecolinic acid; (R)-Piperidine-2-carboxylic acid; 6-Carboxypiperidine; D-(+)- Pipecolic acid; D-(+)-Pipecolic acid; D-Homoproline; D-Pipecolic acid; D-Pipecolinic acid; D-Piperidine-2-carboxylic acidH2Blood Inhouse_peptide NA peptide +EUR647 Selenomethionine [M+H]+ NA 196.999375 1.31 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR647 Selenomethionine [M+H]+ NA 196.999375 1.31 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR647 Selenomethionine [M+H]+ NA 196.999375 1.31 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR647 Selenomethionine [M+H]+ NA 196.999375 1.31 Inhousejuil11 NA NA +MJ006716 Antibiotic SF 2312 C4H8NO6P 197.008923 NA MeJP NA NA +MJ006717 Marasmine; (R)C (S)S-form C5H11NO3S2 197.018034 NA MeJP NA NA +MJ006718 Phosphoguanidinoacetate C3H8N3O5P 197.020156 NA MeJP NA NA +HMDB03705 Phosphoguanidinoacetate C3H8N3O5P 197.020157 NA HMDB2010 NA NA +MetaCyc01789 guanidinoacetate-phosphate [guanidinoacetate-P;guanidoacetate phosphate;guanidoacetate-P;phosphoguanidoacetate;phosphoguanidinoacetate;] C3H8N3O5P1 197.020157 NA metacyc NA NA +HMDB03705 Phosphoguanidinoacetate C3H8N3O5P 197.02016 http://www.hmdb.ca/metabolites/HMDB03705 HMDB NA NA +HMDB03705 Phosphoguanidinoacetate C3H8N3O5P 197.02016 HMDB03705 PFEM_hmdb_metabocards_official NA NA +C03166 Phosphoguanidinoacetate C3H8N3O5P 197.0202 NA KEGG NA NA +C04604 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate C8H7NO5 197.0324 NA KEGG NA NA +C06661 Clavulanate-9-aldehyde C8H7NO5 197.0324 NA KEGG NA NA +C15771 TRIBOA C8H7NO5 197.0324 NA KEGG NA NA +MJ006719 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate C8H7NO5 197.032422 NA MeJP NA NA +MJ006720 Clavulanate-9-aldehyde C8H7NO5 197.032422 NA MeJP NA NA +MJ006721 (4-Hydroxy-3-nitrophenyl)acetic acid C8H7NO5 197.032422 NA MeJP NA NA +MetaCyc01790 TRIBOA [2,4,7-trihydroxy-2H-1,4-benzoxazin-3(4H)-one;] C8H7N1O5 197.032422 NA metacyc NA NA +MetaCyc01791 3-hydroxy-2-methylpyridine-4,5-dicarboxylate [] C8H7N1O5 197.032422 NA metacyc NA NA +HMDB06955 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate C8H7NO5 197.032425 NA HMDB2010 NA NA +MJ006722 N-(2-Sulfoethyl)alanine C5H11NO5S 197.035793 NA MeJP NA NA +MetaCyc01792 tauropine [] C5H11N1O5S1 197.035793 33497-79-9 metacyc NA NA +C01616 Tauropine C5H11NO5S 197.0358 NA KEGG NA NA +MJ006723 Nihydrazone C7H7N3O4 197.043655 NA MeJP NA NA +C16394 4-Amino-2,6-dinitrotoluene C7H7N3O4 197.0437 NA KEGG NA NA +C16395 2-Amino-4,6-dinitrotoluene C7H7N3O4 197.0437 NA KEGG NA NA +C13734 2-Amino-5-phosphopentanoic acid C5H12NO5P 197.0453 NA KEGG NA NA +C17942 FR 900098 C5H12NO5P 197.0453 NA KEGG NA NA +MJ006724 2-Amino-5-phosphonopentanoic acid C5H12NO5P 197.045309 NA MeJP NA NA +MJ006725 4-Phosphonoisovaline C5H12NO5P 197.045309 NA MeJP NA NA +MJ006726 3H-Phenoxazin-3-one C12H7NO2 197.047678 NA MeJP NA NA +MJ006727 4-Hydroxyphenylthiocarbamic acid; OH-form, Et ester C9H11NO2S 197.051049 NA MeJP NA NA +MJ006728 Furaguanidine C6H7N5O3 197.054889 NA MeJP NA NA +PARAC003 3,4-Dihydroxy-L-phenylalanine C9H11NO4 197.0558 RT9.3 PFEM_hmdb_metabocards_urine NA urine +PARAC003 3,4-Dihydroxy-L-phenylalanine C9H11NO4 197.0558 RT9.3 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC003 3,4-Dihydroxy-L-phenylalanine C9H11NO4 197.0558 RT9.3 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC003 3,4-Dihydroxy-L-phenylalanine C9H11NO4 197.0558 RT9.3 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC003 3,4-Dihydroxy-L-phenylalanine C9H11NO4 197.0558 RT9.3 HMDB NA NA +PARAC003 3,4-Dihydroxy-L-phenylalanine C9H11NO4 197.0558 RT9.3 Inhouse_PFEM NA NA +PARAC003 3,4-Dihydroxy-L-phenylalanine C9H11NO4 197.0558 RT9.3 PFEM_hmdb_metabocards_blood NA blood +PARAC003 3,4-Dihydroxy-L-phenylalanine C9H11NO4 197.0558 RT9.3 PFEM_hmdb_metabocards_official NA NA +C04071 Guanidinoethyl methyl phosphate C4H12N3O4P 197.0565 NA KEGG NA NA +C04072 Heparin-glucosamine 3-O-sulfate C4H12N3O4P 197.0565 NA KEGG NA NA +C04073 Heparosan-N-sulfate L-iduronate C4H12N3O4P 197.0565 NA KEGG NA NA +MJ006729 Creatinol; O-Phosphate C4H12N3O4P 197.056542 NA MeJP NA NA +MetaCyc01793 guanidinoethyl methyl phosphate [2-(hydroxy-methoxy-phosphinoyl)oxyethylaminoformamidine;] C4H12N3O4P1 197.056542 NA metacyc NA NA +CJpos0515 ?-hydroxyhippuric acid [(M+H)]+ (18O) C9H10NO318O 197.056875 C18rt(min)=5.18 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0515 ?-hydroxyhippuric acid [(M+H)]+ (18O) C9H10NO318O 197.056875 C18rt(min)=5.18 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ006730 Beclamide C10H12ClNO 197.060741 NA MeJP NA NA +CJneg0341 Gluconic acid (and isomers) [(M-H)]- (13C) C513CH11O7 197.062225 C18rt(min)=0.88 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0341 Gluconic acid (and isomers) [(M-H)]- (13C) C513CH11O7 197.062225 C18rt(min)=0.88 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0516 1,7-dimethyluric acid [(M+H)]+ (13C) C613CH9N4O3 197.062475 C18rt(min)=4.96 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0517 1,3-dimethyluric acid [(M+H)]+ (13C) C613CH9N4O3 197.062475 C18rt(min)=4.67 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0516 1,7-dimethyluric acid [(M+H)]+ (13C) C613CH9N4O3 197.062475 C18rt(min)=4.96 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0517 1,3-dimethyluric acid [(M+H)]+ (13C) C613CH9N4O3 197.062475 C18rt(min)=4.67 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJneg0342 1,3-dimethyluric acid [(M-H)]- (13C) C613CH7N4O3 197.063525 C18rt(min)=4.67 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0343 1,7-dimethyluric acid [(M-H)]- (13C) C613CH7N4O3 197.063525 C18rt(min)=4.96 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0342 1,3-dimethyluric acid [(M-H)]- (13C) C613CH7N4O3 197.063525 C18rt(min)=4.67 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0343 1,7-dimethyluric acid [(M-H)]- (13C) C613CH7N4O3 197.063525 C18rt(min)=4.96 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C00355 3,4-Dihydroxy-L-phenylalanine C9H11NO4 197.0688 NA KEGG NA NA +C03004 N-Hydroxy-L-tyrosine C9H11NO4 197.0688 NA KEGG NA NA +HMDB00609 DL-Dopa C9H11NO4 197.0688 Polypeptides ;SYN:Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2H2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +TEST014 Tyrosine : DOPA C9H11NO4 197.068802 http://www.hmdb.ca/metabolites/HMDB00181 PFEM_hmdb_metabocards_urine NA urine +TEST014 Tyrosine : DOPA C9H11NO4 197.068802 http://www.hmdb.ca/metabolites/HMDB00181 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +TEST014 Tyrosine : DOPA C9H11NO4 197.068802 http://www.hmdb.ca/metabolites/HMDB00181 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +TEST014 Tyrosine : DOPA C9H11NO4 197.068802 http://www.hmdb.ca/metabolites/HMDB00181 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +TEST014 Tyrosine : DOPA C9H11NO4 197.068802 http://www.hmdb.ca/metabolites/HMDB00181 HMDB NA NA +HMDB00181 L-Dopa C9H11NO4 197.068802 NA HMDB2010 NA NA +HMDB00609 DL-Dopa C9H11NO4 197.068802 NA HMDB2010 NA NA +TEST014 Tyrosine : DOPA C9H11NO4 197.068802 http://www.hmdb.ca/metabolites/HMDB00181 Inhouse_PFEM NA NA +TEST014 Tyrosine : DOPA C9H11NO4 197.068802 http://www.hmdb.ca/metabolites/HMDB00181 PFEM_hmdb_metabocards_blood NA blood +TEST014 Tyrosine : DOPA C9H11NO4 197.068802 http://www.hmdb.ca/metabolites/HMDB00181 PFEM_hmdb_metabocards_official NA NA +MJ006731 3,4-Dihydroxy-L-phenylalanine C9H11NO4 197.068807 NA MeJP NA NA +MJ006732 N-Hydroxy-L-tyrosine C9H11NO4 197.068807 NA MeJP NA NA +MJ006733 2-Amino-3-(2,3-dihydroxyphenyl)propanoic acid C9H11NO4 197.068807 NA MeJP NA NA +MJ006734 2-Amino-3-(2,5-dihydroxyphenyl)propanoic acid C9H11NO4 197.068807 NA MeJP NA NA +MJ006735 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid C9H11NO4 197.068807 NA MeJP NA NA +MJ006736 Dioxolide A C9H11NO4 197.068807 NA MeJP NA NA +MJ006737 Forfenimex C9H11NO4 197.068807 NA MeJP NA NA +MJ006738 N-Hydroxytyrosine C9H11NO4 197.068807 NA MeJP NA NA +MJ006739 Versimide C9H11NO4 197.068807 NA MeJP NA NA +MetaCyc01794 L-dopa [] C9H11N1O4 197.068808 NA metacyc NA NA +MetaCyc01795 N-hydroxy-L-tyrosine [] C9H11N1O4 197.068808 NA metacyc NA NA +MetaCyc01796 L-dopa [3,4-dihydroxy-L-phenylalanine;dihydroxyphenylalanine;L-dihydroxy-phenylalanine;] C9H11N1O4 197.068808 59-92-7 metacyc NA NA +HMDB00181 L-Dopa C9H11NO4 197.06882 http://www.hmdb.ca/metabolites/HMDB00181 PFEM_hmdb_metabocards_urine NA urine +HMDB00181 L-Dopa C9H11NO4 197.06882 http://www.hmdb.ca/metabolites/HMDB00181 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00181 L-Dopa C9H11NO4 197.06882 http://www.hmdb.ca/metabolites/HMDB00181 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00181 L-Dopa C9H11NO4 197.06882 http://www.hmdb.ca/metabolites/HMDB00181 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00181 L-Dopa C9H11NO4 197.06882 http://www.hmdb.ca/metabolites/HMDB00181 HMDB NA NA +HMDB00609 Dihydroxyphenylalanine C9H11NO4 197.06882 http://www.hmdb.ca/metabolites/HMDB00609 HMDB NA NA +HMDB00181 L-Dopa C9H11NO4 197.06882 http://www.hmdb.ca/metabolites/HMDB00181 PFEM_hmdb_metabocards_blood NA blood +HMDB00181 L-Dopa C9H11NO4 197.06882 HMDB00181 PFEM_hmdb_metabocards_official NA NA +HMDB00609 Dihydroxyphenylalanine C9H11NO4 197.06882 HMDB00609 PFEM_hmdb_metabocards_official NA NA +CJpos0518 Citrulline isomers [(M+Na)]+ C6H13N3NaO3 197.077075 C18rt(min)=0.9 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0518 Citrulline isomers [(M+Na)]+ C6H13N3NaO3 197.077075 C18rt(min)=0.9 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +JH088 Citrulline (L-) [M+Na]+ NA 197.0777 1.22 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH088 Citrulline (L-) [M+Na]+ NA 197.0777 1.22 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH088 Citrulline (L-) [M+Na]+ NA 197.0777 1.22 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH088 Citrulline (L-) [M+Na]+ NA 197.0777 1.22 Inhousejuil11 NA NA +C02997 N-Acetyl-L-histidine C8H11N3O3 197.08 NA KEGG NA NA +C02998 N-Acetylarylalkylamine C2H4NOR 197.08 NA KEGG NA NA +C12245 Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-carboxylate C8H11N3O3 197.08 NA KEGG NA NA +MJ006740 Histidine, N?-Ac C8H11N3O3 197.080041 NA MeJP NA NA +MetaCyc01797 N-acetyl-L-histidine [] C8H11N3O3 197.080041 02/01/2497 metacyc NA NA +MJ006741 1-Cinnamoyl-1H-pyrrole C13H11NO 197.084063 NA MeJP NA NA +MJ006742 1-Hydroxy-3-methyl-9H-carbazole C13H11NO 197.084063 NA MeJP NA NA +MJ006743 2-Hydroxy-3-methyl-9H-carbazole C13H11NO 197.084063 NA MeJP NA NA +MJ006744 2-Hydroxy-7-methyl-9H-carbazole C13H11NO 197.084063 NA MeJP NA NA +MJ006745 3-Hydroxy-6-methyl-9H-carbazole C13H11NO 197.084063 NA MeJP NA NA +MJ006746 Stizolamine C7H11N5O2 197.091274 NA MeJP NA NA +MJ006747 Mefenidil C12H11N3 197.095297 NA MeJP NA NA +C14416 3-Amino-1-methyl-5H-pyrido[4,3-b]indole C12H11N3 197.0953 NA KEGG NA NA +MJ006748 Mofegiline C11H13F2N 197.101605 NA MeJP NA NA +HMDB04063 Metanephrine C10H15NO3 197.10519 http://www.hmdb.ca/metabolites/HMDB04063 PFEM_hmdb_metabocards_urine NA urine +HMDB04063 Metanephrine C10H15NO3 197.10519 http://www.hmdb.ca/metabolites/HMDB04063 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04063 Metanephrine C10H15NO3 197.10519 http://www.hmdb.ca/metabolites/HMDB04063 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04063 Metanephrine C10H15NO3 197.10519 http://www.hmdb.ca/metabolites/HMDB04063 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04063 Metanephrine C10H15NO3 197.10519 http://www.hmdb.ca/metabolites/HMDB04063 HMDB NA NA +HMDB04063 Metanephrine C10H15NO3 197.10519 http://www.hmdb.ca/metabolites/HMDB04063 PFEM_hmdb_metabocards_blood NA blood +HMDB04063 Metanephrine C10H15NO3 197.10519 HMDB04063 PFEM_hmdb_metabocards_official NA NA +MJ006749 2-Amino-1-(2,5-dimethoxyphenyl)ethanol C10H15NO3 197.105193 NA MeJP NA NA +MJ006750 2-Amino-1-(3,4-dihydroxyphenyl)-1-butanol C10H15NO3 197.105193 NA MeJP NA NA +MJ006751 2-Amino-3-(2,3-dihydroxyphenyl)-1-propanol, 2'-Me ether C10H15NO3 197.105193 NA MeJP NA NA +MJ006752 3,4,5-Trihydroxyphenethylamine; 3',5'-Di-Me ether C10H15NO3 197.105193 NA MeJP NA NA +MJ006753 3-Hydroxy-4,5-dimethoxyphenethylamine C10H15NO3 197.105193 NA MeJP NA NA +MJ006754 Adrenaline, N-Me C10H15NO3 197.105193 NA MeJP NA NA +MJ006755 Dioxifedrine C10H15NO3 197.105193 NA MeJP NA NA +MJ006756 Metanephrine C10H15NO3 197.105193 NA MeJP NA NA +MJ006757 Tenuazonic acid C10H15NO3 197.105193 NA MeJP NA NA +MJ006758 L-Metanephrine C10H15NO3 197.105193 NA MeJP NA NA +HMDB04063 Metanephrine C10H15NO3 197.105194 NA HMDB2010 NA NA +C05588 L-Metanephrine C10H15NO3 197.1052 NA KEGG NA NA +C08511 Tenuazonic acid C10H15NO3 197.1052 NA KEGG NA NA +MJ006759 Histidine trimethylbetaine C9H15N3O2 197.116426 NA MeJP NA NA +MJ006760 2-Pentylquinoline; 1',2'-Didehydro C14H15N 197.120449 NA MeJP NA NA +MJ006761 Noformicin C8H15N5O 197.12766 NA MeJP NA NA +MJ006762 Pildralazine C8H15N5O 197.12766 NA MeJP NA NA +MetaCyc01798 hydroxyatrazine [2-hydroxy-4-(ethylamino)-6-(isopropylamino)-s-triazine;hydroxydechloroatrazine;4-(ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine;] C8H15N5O1 197.12766 NA metacyc NA NA +C06552 Hydroxyatrazine C8H15N5O 197.1277 NA KEGG NA NA +MJ006763 2-(2-Hydroxypropyl)-1-methyl-5-(2-oxopropyl)pyrrolidine; 2'-Ketone C11H19NO2 197.141578 NA MeJP NA NA +MJ006764 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-Propanoyl C11H19NO2 197.141578 NA MeJP NA NA +MJ006765 Centperazine C10H19N3O 197.152812 NA MeJP NA NA +MJ006766 2,5-Dialkylpyrrolidines; 2-Butyl-5-pentylpyrrolidine C13H27N 197.214349 NA MeJP NA NA +MJ006767 2,5-Dialkylpyrrolidines; 2-Ethyl-5-heptylpyrrolidine C13H27N 197.214349 NA MeJP NA NA +8220 antioxidative peptide TFE 197.5785 MH2+ Inhouse_peptide NA peptide +MJ006768 Calcium bromide (CaBr2) Br2Ca 197.799266 NA MeJP NA NA +C13189 Calcium bromide CaBr2 197.7993 NA KEGG NA NA +C13190 Transferred to D01724 CaBr2 197.7993 NA KEGG NA NA +C13191 Transferred to D01725 CaBr2 197.7993 NA KEGG NA NA +MJ006769 Bis(cyano-C)argentate(1-); K salt C2AgKN2 197.874947 NA MeJP NA NA +MJ006770 Sodium iodate(V) (NaIO3) INaO3 197.878981 NA MeJP NA NA +MJ006771 3-Iodo-2-propenoic acid C3H3IO2 197.917772 NA MeJP NA NA +MJ006772 3-Bromotetrahydrothiophene, S,S-Dioxide C4H7BrO2S 197.935012 NA MeJP NA NA +MJ006773 2,4,5-Trichloro-2,5-cyclohexadiene-1-ol C6H5Cl3O 197.940597 NA MeJP NA NA +MetaCyc01799 2,4,5-trichloro-2,5-cyclohexadiene-1-diol [2,4,5-DNOL;] C6H5O1CL3 197.940598 NA metacyc NA NA +C06598 2,4,5-Trichloro-2,5-cyclohexadiene-1-ol C6H5Cl3O 197.9406 NA KEGG NA NA +C04309 Phosphoenol-4-deoxy-3-tetrulosonate C4H7O7P 197.9929 NA KEGG NA NA +C04311 Protein L-isoaspartate methyl ester C6H8N2O4R2 197.9929 NA KEGG NA NA +C04312 RNA terminal-2',3'-cyclic-phosphate C10H16O12P2R2 197.9929 NA KEGG NA NA +C04313 beta-Substituted alpha-L-amino acid C3H5NO2R2 197.9929 NA KEGG NA NA +HMDB11750 Dihydroxyacetone Phosphate Acyl Ester C4H7O7P 197.992935 NA HMDB2010 NA NA +C11497 2-Oxopropyl-CoM C5H10O4S2 198.0021 NA KEGG NA NA +C03223 3,4-Dihydroxyphthalate C8H6O6 198.0164 NA KEGG NA NA +C03233 4,5-Dihydroxyphthalate C8H6O6 198.0164 NA KEGG NA NA +MJ006774 4,5-Dihydroxyphthalate C8H6O6 198.016437 NA MeJP NA NA +MJ006775 2,5-Dihydroxy-1,4-benzenedicarboxylic acid C8H6O6 198.016437 NA MeJP NA NA +MJ006776 2-Oxo-2-(2,4,5-trihydroxyphenyl)acetic acid C8H6O6 198.016437 NA MeJP NA NA +MJ006777 3,5-Dihydroxy-1,2-benzenedicarboxylic acid C8H6O6 198.016437 NA MeJP NA NA +MJ006778 4,5-Dihydroxy-1,2-benzenedicarboxylic acid C8H6O6 198.016437 NA MeJP NA NA +MJ006779 4,5-Dihydroxy-1,3-benzenedicarboxylic acid C8H6O6 198.016437 NA MeJP NA NA +MJ006780 4-Oxo-4H-pyran-2,6-dicarboxylic acid; Mono-Me ester C8H6O6 198.016437 NA MeJP NA NA +MJ006781 Puberulic acid C8H6O6 198.016437 NA MeJP NA NA +MetaCyc01800 4,5-dihydroxyphthalate [] C8H6O6 198.016438 NA metacyc NA NA +MetaCyc01801 3,4-dihydroxyphthalate [] C8H6O6 198.016438 NA metacyc NA NA +MJ006782 Phosphonothrixin C5H11O6P 198.029324 NA MeJP NA NA +MJ006783 Naphtho[1,2-b]furan-4,5-dione C12H6O3 198.031694 NA MeJP NA NA +MJ006784 Naphtho[2,3-b]furan-4,9-dione C12H6O3 198.031694 NA MeJP NA NA +C16550 Dechloroethylcyclophosphamide C5H12ClN2O2P 198.0325 NA KEGG NA NA +C16555 2-Dechloroethylifosfamide C5H12ClN2O2P 198.0325 NA KEGG NA NA +C08042 Nitrofurazone C6H6N4O4 198.0389 NA KEGG NA NA +C08043 Povidone-iodine xI2 198.0389 NA KEGG NA NA +C08044 Transferred to D00864 xI2 198.0389 NA KEGG NA NA +C08045 Transferred to D00865 xI2 198.0389 NA KEGG NA NA +C11283 2,4-Dinitrophenylhydrazine C6H6N4O4 198.0389 NA KEGG NA NA +MJ006785 5-Nitro-2-furancarboxaldehyde; Semicarbazone C6H6N4O4 198.038904 NA MeJP NA NA +MetaCyc01802 dinitrophenylhydrazine [2,4-dinitrophebylhydrazine;1-hydrazine-2,4-dinitrobenzene;2,4-dnph;hydrazine, (2,4-dinitrophenyl)-;] C6H6N4O4 198.038905 NA metacyc NA NA +MJ006786 2-Chloro-3-(4-hydroxyphenyl)-2-propen-1-ol, 4'-Me ether C10H11ClO2 198.044757 NA MeJP NA NA +MJ006787 2-(3,5-Hexadien-1-ynyl)-5-(1-propynyl)thiophene C13H10S 198.050321 NA MeJP NA NA +MJ006788 2-(3-Buten-1-ynyl)-5-(1,3-pentadiynyl)thiophene; 3'',4''-Dihydro (E-) C13H10S 198.050321 NA MeJP NA NA +MJ006789 2-Phenyl-5-(1-propynyl)thiophene C13H10S 198.050321 NA MeJP NA NA +MJ006790 4-Methyldibenzothiophene C13H10S 198.050321 NA MeJP NA NA +C01207 3-(3,4-Dihydroxyphenyl)lactate C9H10O5 198.0528 NA KEGG NA NA +C01209 Malonyl-[acyl-carrier protein] C3H3O3SR 198.0528 NA KEGG NA NA +C05584 3-Methoxy-4-hydroxymandelate C9H10O5 198.0528 NA KEGG NA NA +C10833 Syringic acid C9H10O5 198.0528 NA KEGG NA NA +MJ006791 3-(3,4-Dihydroxyphenyl)lactate C9H10O5 198.052823 NA MeJP NA NA +MJ006792 3-Methoxy-4-hydroxymandelate C9H10O5 198.052823 NA MeJP NA NA +MJ006793 1,3-Dihydro-4-methyl-1,5,6,7-isobenzofurantetrol C9H10O5 198.052823 NA MeJP NA NA +MJ006794 2,3,5-Trihydroxy-1,4-benzoquinone; Tri-Me ether C9H10O5 198.052823 NA MeJP NA NA +MJ006795 2,4,5-Trihydroxybenzoic acid; 2-Et ether C9H10O5 198.052823 NA MeJP NA NA +MJ006796 3,4,5-Trihydroxybenzoic acid; 3,5-Di-Me ether C9H10O5 198.052823 NA MeJP NA NA +MJ006797 3,4,5-Trihydroxybenzoic acid; 3-Me ether, Me ester C9H10O5 198.052823 NA MeJP NA NA +MJ006798 3,4,5-Trihydroxybenzoic acid; 4-Et ether C9H10O5 198.052823 NA MeJP NA NA +MJ006799 3,4,5-Trihydroxybenzoic acid; Et ester C9H10O5 198.052823 NA MeJP NA NA +MJ006800 3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid C9H10O5 198.052823 NA MeJP NA NA +MJ006801 Epoxydon, 1'-Ac C9H10O5 198.052823 NA MeJP NA NA +MetaCyc01803 vanillyl mandelate [] C9H10O5 198.052823 55-10-7 metacyc NA NA +MetaCyc01804 R(-)-3,4-dihydroxyphenyllactate [R(-)-3,4-dihydroxyphenyllactic acid;] C9H10O5 198.052823 NA metacyc NA NA +MetaCyc01805 R(+)-3,4-dihydroxyphenyllactate [R(+)-3,4-dihydroxyphenyllactic acid;] C9H10O5 198.052823 NA metacyc NA NA +MetaCyc01806 3-(3,4-dihydroxyphenyl)lactate [3-(3,4-dihydroxyphenyl)-2-hydroxy-propanoic acid;] C9H10O5 198.052823 NA metacyc NA NA +HMDB00291 Vanillylmandelic acid C9H10O5 198.052826 NA HMDB2010 NA NA +HMDB02085 Syringic acid C9H10O5 198.052826 NA HMDB2010 NA NA +HMDB03503 3-(3,4-Dihydroxyphenyl)lactic acid C9H10O5 198.052826 NA HMDB2010 NA NA +HMDB00291 Vanillylmandelic acid C9H10O5 198.05283 http://www.hmdb.ca/metabolites/HMDB00291 PFEM_hmdb_metabocards_urine NA urine +HMDB00291 Vanillylmandelic acid C9H10O5 198.05283 http://www.hmdb.ca/metabolites/HMDB00291 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03503 3-(3,4-Dihydroxyphenyl)lactic acid C9H10O5 198.05283 http://www.hmdb.ca/metabolites/HMDB03503 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00291 Vanillylmandelic acid C9H10O5 198.05283 http://www.hmdb.ca/metabolites/HMDB00291 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00291 Vanillylmandelic acid C9H10O5 198.05283 http://www.hmdb.ca/metabolites/HMDB00291 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00291 Vanillylmandelic acid C9H10O5 198.05283 http://www.hmdb.ca/metabolites/HMDB00291 HMDB NA NA +HMDB02085 Syringic acid C9H10O5 198.05283 http://www.hmdb.ca/metabolites/HMDB02085 HMDB NA NA +HMDB03503 3-(3,4-Dihydroxyphenyl)lactic acid C9H10O5 198.05283 http://www.hmdb.ca/metabolites/HMDB03503 HMDB NA NA +HMDB00291 Vanillylmandelic acid C9H10O5 198.05283 http://www.hmdb.ca/metabolites/HMDB00291 PFEM_hmdb_metabocards_blood NA blood +HMDB03503 3-(3,4-Dihydroxyphenyl)lactic acid C9H10O5 198.05283 http://www.hmdb.ca/metabolites/HMDB03503 PFEM_hmdb_metabocards_blood NA blood +HMDB00291 Vanillylmandelic acid C9H10O5 198.05283 HMDB00291 PFEM_hmdb_metabocards_official NA NA +HMDB02085 Syringic acid C9H10O5 198.05283 HMDB02085 PFEM_hmdb_metabocards_official NA NA +HMDB03503 3-(3,4-Dihydroxyphenyl)lactic acid C9H10O5 198.05283 HMDB03503 PFEM_hmdb_metabocards_official NA NA +CJneg0344 4-hydroxyphenylacetic acid [(M-H)+(HCOOH)]- C9H9O5 198.053325 C18rt(min)=5.81 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0345 3-Hydroxyphenylacetic acid [(M-H)+(HCOOH)]- C9H9O5 198.053325 C18rt(min)=6.06 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0344 4-hydroxyphenylacetic acid [(M-H)+(HCOOH)]- C9H9O5 198.053325 C18rt(min)=5.81 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0345 3-Hydroxyphenylacetic acid [(M-H)+(HCOOH)]- C9H9O5 198.053325 C18rt(min)=6.06 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +JH132 Syringic acid [M+H]+ C9H10O5 198.0538 Rtobs11.87 PFEM_hmdb_metabocards_urine NA urine +JH132 Syringic acid [M+H]+ C9H10O5 198.0538 11.87 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH132 Syringic acid [M+H]+ C9H10O5 198.0538 Rtobs11.87 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH132 Syringic acid [M+H]+ C9H10O5 198.0538 11.87 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH132 Syringic acid [M+H]+ C9H10O5 198.0538 Rtobs11.87 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH132 Syringic acid [M+H]+ C9H10O5 198.0538 11.87 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH132 Syringic acid [M+H]+ C9H10O5 198.0538 Rtobs11.87 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH132 Syringic acid [M+H]+ C9H10O5 198.0538 Rtobs11.87 HMDB NA NA +JH132 Syringic acid [M+H]+ C9H10O5 198.0538 Rtobs11.87 Inhouse_PFEM NA NA +JH132 Syringic acid [M+H]+ C9H10O5 198.0538 11.87 Inhousejuil11 NA NA +JH132 Syringic acid [M+H]+ C9H10O5 198.0538 Rtobs11.87 PFEM_hmdb_metabocards_blood NA blood +JH132 Syringic acid [M+H]+ C9H10O5 198.0538 Rtobs11.87 PFEM_hmdb_metabocards_official NA NA +MJ006802 5-(2-Azetidinylmethoxy)-2-chloropyridine C9H11ClN2O 198.05599 NA MeJP NA NA +CJneg0346 Gluconic acid (and isomers) [(M-H)]- (18O) C6H11O618O 198.063125 C18rt(min)=0.88 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0346 Gluconic acid (and isomers) [(M-H)]- (18O) C6H11O618O 198.063125 C18rt(min)=0.88 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0519 1,7-dimethyluric acid [(M+H)]+ (18O) C7H9N4O218O 198.063375 C18rt(min)=4.96 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0519 1,7-dimethyluric acid [(M+H)]+ (18O) C7H9N4O218O 198.063375 C18rt(min)=4.96 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ006803 Clavaminic acid C8H10N2O4 198.064056 NA MeJP NA NA +MJ006804 Leucenine C8H10N2O4 198.064056 NA MeJP NA NA +MetaCyc01807 mimosine [L-mimosine;β-(3-hydroxy-4-pyridon-1-yl)-L-alanine;3-(3,4-dihydroxypyridin-1-yl)-L-alanine;] C8H10N2O4 198.064057 NA metacyc NA NA +MetaCyc01808 (S)-2-amino-3-(3-hydroxy-4-oxo-4h-pyridin-1-yl)propanoate [] C8H10N2O4 198.064057 NA metacyc NA NA +C04771 (S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate C8H10N2O4 198.0641 NA KEGG NA NA +C04772 1,6-alpha-D-Mannosyl-1,6-alpha-D-mannosyloligosaccharide C18H31O16 198.0641 NA KEGG NA NA +C06660 Clavaminic acid C8H10N2O4 198.0641 NA KEGG NA NA +CJneg0347 1,3-dimethyluric acid [(M-H)]- (18O) C7H7N4O218O 198.064425 C18rt(min)=4.67 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0347 1,3-dimethyluric acid [(M-H)]- (18O) C7H7N4O218O 198.064425 C18rt(min)=4.67 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ006805 2-Chloro-6-(1-piperazinyl)pyrazine C8H11ClN4 198.067224 NA MeJP NA NA +MJ006806 1,3,5-Tridecatriene-7,9,11-triyne, 3,4:5,6-Diepoxide C13H10O2 198.068079 NA MeJP NA NA +MJ006807 1-Phenyl-2,4-hexadiyn-1-one; 2'-Methoxy C13H10O2 198.068079 NA MeJP NA NA +MJ006808 11-Tridecene-3,5,7,9-tetrayne-1,2-diol C13H10O2 198.068079 NA MeJP NA NA +MJ006809 3,5,7,8-Tridecatetraene-10,12-diynoic acid C13H10O2 198.068079 NA MeJP NA NA +MJ006810 3,6-Dihydro-6-(2,4,6-octatriynylidene)-2H-pyran-3-ol C13H10O2 198.068079 NA MeJP NA NA +MJ006811 3-Tridecene-5,7,9,11-tetrayne-1,2-diol C13H10O2 198.068079 NA MeJP NA NA +MJ006812 3-[5-(2,4-Hexadiynyl)-2-furanyl]-2-propenal C13H10O2 198.068079 NA MeJP NA NA +MJ006813 4-Hydroxybenzophenone C13H10O2 198.068079 NA MeJP NA NA +MJ006814 6-(2-Phenylethenyl)-2H-pyran-2-one C13H10O2 198.068079 NA MeJP NA NA +MJ006815 Atractylodin; 9'-Hydroxy C13H10O2 198.068079 NA MeJP NA NA +MJ006816 Capillarin C13H10O2 198.068079 NA MeJP NA NA +MJ006817 Mycosinol; 4-Deoxy (7E-) C13H10O2 198.068079 NA MeJP NA NA +MJ006818 Mycosinol; 4-Deoxy (7Z-) C13H10O2 198.068079 NA MeJP NA NA +MJ006819 1,2-Dihydroxyfluorene C13H10O2 198.068079 NA MeJP NA NA +MJ006820 3,4-Dihydroxyfluorene C13H10O2 198.068079 NA MeJP NA NA +MetaCyc01809 3,4-dihydroxyfluorene [] C13H10O2 198.06808 NA metacyc NA NA +MetaCyc01810 1,2-dihydroxyfluorene [] C13H10O2 198.06808 NA metacyc NA NA +C07717 3,4-Dihydroxyfluorene C13H10O2 198.0681 NA KEGG NA NA +C07724 1,2-Dihydroxyfluorene C13H10O2 198.0681 NA KEGG NA NA +C08447 Dehydrosafynol C13H10O2 198.0681 NA KEGG NA NA +C14230 4-Hydroxybenzophenone C13H10O2 198.0681 NA KEGG NA NA +C16926 Capillarin C13H10O2 198.0681 NA KEGG NA NA +HMDB04400 5-Acetylamino-6-amino-3-methyluracil C7H10N4O3 198.075287 NA HMDB2010 NA NA +HMDB04400 5-Acetylamino-6-amino-3-methyluracil C7H10N4O3 198.07529 http://www.hmdb.ca/metabolites/HMDB04400 HMDB NA NA +HMDB04400 5-Acetylamino-6-amino-3-methyluracil C7H10N4O3 198.07529 HMDB04400 PFEM_hmdb_metabocards_official NA NA +C16366 5-Acetylamino-6-amino-3-methyluracil C7H10N4O3 198.0753 NA KEGG NA NA +CJpos0520 Serotonin [(M+Na)]+ C10H12N2NaO 198.076375 C18rt(min)=4.15 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0521 Cotinine [(M+Na)]+ C10H12N2NaO 198.076375 C18rt(min)=1.08 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0520 Serotonin [(M+Na)]+ C10H12N2NaO 198.076375 C18rt(min)=4.15 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0521 Cotinine [(M+Na)]+ C10H12N2NaO 198.076375 C18rt(min)=1.08 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C06537 Harmalol C12H10N2O 198.0793 NA KEGG NA NA +C14742 N-Nitrosodiphenylamine C12H10N2O 198.0793 NA KEGG NA NA +C15042 4-(2-Pyrazinylethenyl)phenol C12H10N2O 198.0793 NA KEGG NA NA +MJ006821 1-Hydroxymethyl-?-carboline C12H10N2O 198.079312 NA MeJP NA NA +MJ006822 1-Methyl-?-carboline; N-Oxide C12H10N2O 198.079312 NA MeJP NA NA +MJ006823 6-Hydroxy-1-methyl-?-carboline C12H10N2O 198.079312 NA MeJP NA NA +MJ006824 7-Hydroxy-1-methyl-?-carboline C12H10N2O 198.079312 NA MeJP NA NA +MJ006825 7-Methoxy-1-methyl-?-carboline; 1-De-Me C12H10N2O 198.079312 NA MeJP NA NA +MJ006826 Pimprinine C12H10N2O 198.079312 NA MeJP NA NA +HMDB04998 Guaifenesin C10H14O4 198.0892 http://www.hmdb.ca/metabolites/HMDB04998 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04998 Guaifenesin C10H14O4 198.0892 http://www.hmdb.ca/metabolites/HMDB04998 HMDB NA NA +C06579 cis-2,3-Dihydroxy-2,3-dihydro-p-cumate C10H14O4 198.0892 NA KEGG NA NA +C09853 1,2-Dihydroxymint lactone C10H14O4 198.0892 NA KEGG NA NA +C16644 1-(3,4-Dimethoxyphenyl)ethane-1,2-diol C10H14O4 198.0892 NA KEGG NA NA +C17454 Paeonilactone A C10H14O4 198.0892 NA KEGG NA NA +HMDB04998 Guaifenesin C10H14O4 198.0892 http://www.hmdb.ca/metabolites/HMDB04998 PFEM_hmdb_metabocards_blood NA blood +HMDB04998 Guaifenesin C10H14O4 198.0892 HMDB04998 PFEM_hmdb_metabocards_official NA NA +HMDB04998 Guaifenesin C10H14O4 198.089203 NA HMDB2010 NA NA +MJ006827 cis-2,3-Dihydroxy-2,3-dihydro-p-cumate C10H14O4 198.089208 NA MeJP NA NA +MJ006828 (4-Hydroxycyclohexylidene)acetic acid, Ac C10H14O4 198.089208 NA MeJP NA NA +MJ006829 1,2-Dihydroxy-p-menth-4(8)-en-9,3-olide C10H14O4 198.089208 NA MeJP NA NA +MJ006830 1-(2,5-Dihydroxyphenyl)-1,2-propanediol, 5'-Me ether C10H14O4 198.089208 NA MeJP NA NA +MJ006831 2,3-Dimethoxy-5,6-dimethyl-2-cyclohexene-1,4-dione C10H14O4 198.089208 NA MeJP NA NA +MJ006832 2,7-Dimethyl-2,4-octadienedioic acid C10H14O4 198.089208 NA MeJP NA NA +MJ006833 2-(3,4-Dihydroxyphenyl)-1,3-propanediol; 3'-Me ether C10H14O4 198.089208 NA MeJP NA NA +MJ006834 2-(3,5-Dimethoxyphenoxy)ethanol C10H14O4 198.089208 NA MeJP NA NA +MJ006835 2-Butanoyl-3,5-dihydroxy-2-cyclohexen-1-one C10H14O4 198.089208 NA MeJP NA NA +MJ006836 3,6-Dimethyl-1,2,4,5-benzenetetrol; 1,4-Di-Me ether C10H14O4 198.089208 NA MeJP NA NA +MJ006837 3,8-Epidioxy-1,2-epoxy-p-menth-4-en-3-ol C10H14O4 198.089208 NA MeJP NA NA +MJ006838 3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3'-Me ether C10H14O4 198.089208 NA MeJP NA NA +MJ006839 3-(3,4-Dihydroxyphenyl)-1,2-propanediol, 3'-Me ether C10H14O4 198.089208 NA MeJP NA NA +MJ006840 4,5-Bis(hydroxymethyl)-2-methyl-1,3-benzenediol; O3-Me C10H14O4 198.089208 NA MeJP NA NA +MJ006841 4,6-Decadiyne-1,3,8,10-tetrol C10H14O4 198.089208 NA MeJP NA NA +MJ006842 4,6-Dimethyl-1,2,3,5-benzenetetrol; 1,3-Di-Me ether C10H14O4 198.089208 NA MeJP NA NA +MJ006843 5-(1-Hydroxybutyl)-6-hydroxymethyl-2H-pyran-2-one C10H14O4 198.089208 NA MeJP NA NA +MJ006844 Cephalosporolide B C10H14O4 198.089208 NA MeJP NA NA +MJ006845 Cephalosporolide E C10H14O4 198.089208 NA MeJP NA NA +MJ006846 Chrysanthemumdicarboxylic acid C10H14O4 198.089208 NA MeJP NA NA +MJ006847 Decarestrictine A1 C10H14O4 198.089208 NA MeJP NA NA +MJ006848 Decarestrictine D; 3-Deoxy, 7-ketone C10H14O4 198.089208 NA MeJP NA NA +MJ006849 Decarestrictine H C10H14O4 198.089208 NA MeJP NA NA +MJ006850 Decarestrictine I C10H14O4 198.089208 NA MeJP NA NA +MJ006851 Decarestrictine K C10H14O4 198.089208 NA MeJP NA NA +MJ006852 Gardendiol C10H14O4 198.089208 NA MeJP NA NA +MJ006853 Guaifenesin C10H14O4 198.089208 NA MeJP NA NA +MJ006854 Lissoketal C10H14O4 198.089208 NA MeJP NA NA +MJ006855 Norsantolinifolide A C10H14O4 198.089208 NA MeJP NA NA +MJ006856 Paeonilactone A C10H14O4 198.089208 NA MeJP NA NA +MJ006857 Paeonimetabolin I C10H14O4 198.089208 NA MeJP NA NA +MJ006858 Paeonisuffrone C10H14O4 198.089208 NA MeJP NA NA +MJ006859 Ramulosin; 4?-Hydroxy C10H14O4 198.089208 NA MeJP NA NA +MJ006860 Ramulosin; 6?-Hydroxy C10H14O4 198.089208 NA MeJP NA NA +MetaCyc01811 1-(3,4-dimethoxylphenyl)ethane-1,2-diol [] C10H14O4 198.089209 NA metacyc NA NA +MetaCyc01812 cis-2,3-dihydroxy-2,3-dihydro-p-cumate [] C10H14O4 198.089209 NA metacyc NA NA +C11799 SK&F 91581 C8H14N4S 198.0939 NA KEGG NA NA +3768 dipeptidyl carboxypeptidase inhibitor PPSP 198.094 MH2+ Inhouse_peptide NA peptide +3778 dipeptidyl carboxypeptidase inhibitor PPPS 198.094 MH2+ Inhouse_peptide NA peptide +7998 synthetic peptide LHQ 198.1 MH2+ Inhouse_peptide NA peptide +MJ006861 Metharbital C9H14N2O3 198.100442 NA MeJP NA NA +MJ006862 Pedatisectine D C9H14N2O3 198.100442 NA MeJP NA NA +MJ006863 Probarbital C9H14N2O3 198.100442 NA MeJP NA NA +MJ006864 13-Nor-1,3,5,7,9-guaiapentaen-11-one C14H14O 198.104465 NA MeJP NA NA +MJ006865 4,6,12-Tetradecatriene-8,10-diyn-1-ol, Aldehyde C14H14O 198.104465 NA MeJP NA NA +MJ006866 4,6-Tetradecadiene-8,10,12-triyn-1-ol C14H14O 198.104465 NA MeJP NA NA +MJ006867 6-Tetradecene-8,10,12-triyn-3-one C14H14O 198.104465 NA MeJP NA NA +C14340 4-(2-Phenylethyl)phenol C14H14O 198.1045 NA KEGG NA NA +3410 ACE inhibitor ALPP 198.1125 MH2+ Inhouse_peptide NA peptide +7668 ACE inhibitor from k-CN (95-98) AIPP 198.1125 MH2+ Inhouse_peptide NA peptide +MJ006868 9-Amino-1,2,3,4-tetrahydroacridine C13H14N2 198.115698 NA MeJP NA NA +MJ006869 ?-Phenyl-2-pyridineethanamine C13H14N2 198.115698 NA MeJP NA NA +C01453 Tacrine C13H14N2 198.1157 NA KEGG NA NA +C14288 4,4'-Methylenedianiline C13H14N2 198.1157 NA KEGG NA NA +C15141 N-(Phenylmethyl)-N-methyl-2-pyridinamine C13H14N2 198.1157 NA KEGG NA NA +7994 synthetic peptide LHK 198.118 MH2+ Inhouse_peptide NA peptide +MJ006870 Hercynine C9H16N3O2 198.124251 NA MeJP NA NA +MetaCyc01813 n(α),n(α),n(α)-trimethyl-L-histidine [Hercynine;] C9H16N3O2 198.124252 NA metacyc NA NA +C05575 Hercynine C9H16N3O2 198.1243 NA KEGG NA NA +MJ006871 1,3-Dihydroxy-4-methyl-6,8-decadien-5-one C11H18O3 198.125594 NA MeJP NA NA +MJ006872 2,6-Dimethyl-2,6-octadiene-1,8-diol, 1-Carboxylic acid, Me ester C11H18O3 198.125594 NA MeJP NA NA +MJ006873 2-(2-Butenylidene)-5-heptene-1,3,4-triol C11H18O3 198.125594 NA MeJP NA NA +MJ006874 3,7-Dimethyl-4,7-epoxy-8-nonenoic acid C11H18O3 198.125594 NA MeJP NA NA +MJ006875 4-Hydroxy-2-methoxy-p-menth-1-en-3-one C11H18O3 198.125594 NA MeJP NA NA +MJ006876 4-Methyl-?-oxo-cyclohexanebutanoic acid C11H18O3 198.125594 NA MeJP NA NA +MJ006877 5-(2-Furanyl)-1-pentanol; (2-Hydroxyethyl) ether C11H18O3 198.125594 NA MeJP NA NA +MJ006878 5-Hydroxy-3,4-dimethyl-5-pentyl-2(5H)-furanone C11H18O3 198.125594 NA MeJP NA NA +MJ006879 Aeginetolide C11H18O3 198.125594 NA MeJP NA NA +C06185 Slaframine C10H18N2O2 198.1368 NA KEGG NA NA +MJ006880 3,6-Diisopropyl-2,5-piperazinedione C10H18N2O2 198.136827 NA MeJP NA NA +MJ006881 Slaframine C10H18N2O2 198.136827 NA MeJP NA NA +MJ006882 1,3,6,9,12-Pentadecapentaen-14-yne C15H18 198.14085 NA MeJP NA NA +MJ006883 1-Isopropyl-4,6-dimethylnaphthalene C15H18 198.14085 NA MeJP NA NA +MJ006884 2,8,10-Pentadecatriene-4,6-diyne C15H18 198.14085 NA MeJP NA NA +MJ006885 2-Isopropyl-4,8-dimethylazulene C15H18 198.14085 NA MeJP NA NA +MJ006886 4-Isopropyl-1,6-dimethylnaphthalene C15H18 198.14085 NA MeJP NA NA +MJ006887 7-Isopropyl-1,4-dimethylazulene C15H18 198.14085 NA MeJP NA NA +MJ006888 7-Isopropyl-2,4-dimethylazulene C15H18 198.14085 NA MeJP NA NA +C09675 Guaiazulene C15H18 198.1409 NA KEGG NA NA +MJ006889 Amidinomycin C9H18N4O 198.148061 NA MeJP NA NA +MJ006890 11,12,13-Trinor-2,6-farnesadiene-1,10-diol C12H22O2 198.161979 NA MeJP NA NA +MJ006891 11-Hydroxy-5-dodecen-2-one C12H22O2 198.161979 NA MeJP NA NA +MJ006892 2,2,8-Trimethyl-1,7-dioxaspiro[5.5]undecane C12H22O2 198.161979 NA MeJP NA NA +MJ006893 2,4,8-Trimethyl-1,7-dioxaspiro[5.5]undecane C12H22O2 198.161979 NA MeJP NA NA +MJ006894 2,4-Dimethyl-2-pentenoic acid, (S)-1-Methylbutyl ester C12H22O2 198.161979 NA MeJP NA NA +MJ006895 2-Ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane C12H22O2 198.161979 NA MeJP NA NA +MJ006896 2-Propyl-1,7-dioxaspiro[5.5]undecane C12H22O2 198.161979 NA MeJP NA NA +MJ006897 3,4-Epoxy-2-dodecanone C12H22O2 198.161979 NA MeJP NA NA +MJ006898 3,7-Dimethyl-6-octen-1-ol, Ac C12H22O2 198.161979 NA MeJP NA NA +MJ006899 3-Dodecenoic acid C12H22O2 198.161979 NA MeJP NA NA +MJ006900 3-Hexen-1-ol, Hexanoyl C12H22O2 198.161979 NA MeJP NA NA +MJ006901 3-Oxododecanal C12H22O2 198.161979 NA MeJP NA NA +MJ006902 4-Dodecenoic acid C12H22O2 198.161979 NA MeJP NA NA +MJ006903 5-Decen-1-ol, Ac C12H22O2 198.161979 NA MeJP NA NA +MJ006904 5-Isopropyl-3-nonene-2,8-diol, 8-Ketone C12H22O2 198.161979 NA MeJP NA NA +MJ006905 6-Heptyltetrahydro-2H-pyran-2-one C12H22O2 198.161979 NA MeJP NA NA +MJ006906 7-Decen-1-ol, Ac C12H22O2 198.161979 NA MeJP NA NA +MJ006907 7-Dodecenoic acid C12H22O2 198.161979 NA MeJP NA NA +MJ006908 7-Methyl-6-nonen-3-ol, Ac C12H22O2 198.161979 NA MeJP NA NA +MJ006909 9-Dodecenoic acid C12H22O2 198.161979 NA MeJP NA NA +MJ006910 Chokol A C12H22O2 198.161979 NA MeJP NA NA +MJ006911 Cybullol C12H22O2 198.161979 NA MeJP NA NA +MJ006912 Dihydro-5-octyl-2(3H)-furanone C12H22O2 198.161979 NA MeJP NA NA +MJ006913 Hexanoic acid; (E)-2-Hexenyl ester C12H22O2 198.161979 NA MeJP NA NA +MJ006914 Invictolide C12H22O2 198.161979 NA MeJP NA NA +MetaCyc01814 l-menthyl acetate [] C12H22O2 198.16198 NA metacyc NA NA +HMDB00529 5-Dodecenoic acid C12H22O2 198.161987 NA HMDB2010 NA NA +HMDB10729 trans-Dodec-2-enoic acid C12H22O2 198.161987 NA HMDB2010 NA NA +HMDB00529 5-Dodecenoic acid C12H22O2 198.16199 http://www.hmdb.ca/metabolites/HMDB00529 HMDB NA NA +HMDB00529 5-Dodecenoic acid C12H22O2 198.16199 HMDB00529 PFEM_hmdb_metabocards_official NA NA +C09870 (-)-Menthyl acetate C12H22O2 198.162 NA KEGG NA NA +C12298 Citronellyl acetate C12H22O2 198.162 NA KEGG NA NA +C16825 Neomenthyl acetate C12H22O2 198.162 NA KEGG NA NA +C16947 Decanoyl acetaldehyde C12H22O2 198.162 NA KEGG NA NA +C07036 Guanethidine C10H22N4 198.1844 NA KEGG NA NA +MJ006915 (4-Aminobutyl)guanidine; N6-(3-Methyl-2-butenyl) C10H22N4 198.184446 NA MeJP NA NA +MJ006916 Guanethidine C10H22N4 198.184446 NA MeJP NA NA +MJ006917 N-(4-Aminobutyl)-N'-(3-methyl-2-butenyl)guanidine C10H22N4 198.184446 NA MeJP NA NA +MJ006918 Spherophysine C10H22N4 198.184446 NA MeJP NA NA +MetaCyc01815 N-prenylagmatine [] C10H22N4 198.184447 NA metacyc NA NA +MJ006919 12-Tridecen-2-ol C13H26O 198.198365 NA MeJP NA NA +MJ006920 2-Tridecanone C13H26O 198.198365 NA MeJP NA NA +MJ006921 4-Tridecen-1-ol C13H26O 198.198365 NA MeJP NA NA +MJ006922 6-Tridecen-2-ol C13H26O 198.198365 NA MeJP NA NA +MJ006923 Tridecanal C13H26O 198.198365 NA MeJP NA NA +MJ006924 2,4-Dimethyldodecane C14H30 198.23475 NA MeJP NA NA +MJ006925 Tetradecane C14H30 198.234751 NA MeJP NA NA +7990 synthetic peptide LHE 198.592 MH2+ Inhouse_peptide NA peptide +HMDB06317 trans-Hexadec-2-enoyl carnitine C23H43NO4 198.659607 MH2+ Inhouse_peptide NA peptide +MJ006926 2-Bromo-2-nitro-1,3-propanediol C3H6BrNO4 198.94802 NA MeJP NA NA +MJ006927 Oxophenarsine C6H6AsNO2 198.961449 NA MeJP NA NA +MJ006928 2,6-Pyridinedicarbothioic acid C7H5NO2S2 198.976169 NA MeJP NA NA +MJ006929 (Iodomethyl)trimethylammonium(1+) C4H11IN(+) 198.985792 NA MeJP NA NA +MJ006930 S-Sulfo-L-cysteine C4H9NO4S2 198.997299 NA MeJP NA NA +EUR649 Selenomethionine [M+H]+ NA 198.998175 1.31 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR649 Selenomethionine [M+H]+ NA 198.998175 1.31 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR649 Selenomethionine [M+H]+ NA 198.998175 1.31 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR649 Selenomethionine [M+H]+ NA 198.998175 1.31 Inhousejuil11 NA NA +HMDB06859 1-Acyl-sn-glycerol 3-phosphate C4H8O7P 199.00076 http://www.hmdb.ca/metabolites/HMDB06859 HMDB NA NA +HMDB06859 1-Acyl-sn-glycerol 3-phosphate C4H8O7P 199.00076 HMDB06859 PFEM_hmdb_metabocards_official NA NA +MJ006931 6-Methoxy-2(3H)-benzoxazolone; 5-Chloro C8H6ClNO3 199.00362 NA MeJP NA NA +MetaCyc01816 2-(S)-hydroxypropyl-CoM [] C5H11O4S2 199.009875 NA metacyc NA NA +MetaCyc01817 2-(R)-hydroxypropyl-CoM [] C5H11O4S2 199.009875 NA metacyc NA NA +HMDB03484 O-Phosphohomoserine C4H10NO6P 199.024567 NA HMDB2010 NA NA +HMDB11185 O-Phosphothreonine C4H10NO6P 199.024567 NA HMDB2010 NA NA +HMDB03484 O-Phosphohomoserine C4H10NO6P 199.02457 http://www.hmdb.ca/metabolites/HMDB03484 HMDB NA NA +HMDB03484 O-Phosphohomoserine C4H10NO6P 199.02457 HMDB03484 PFEM_hmdb_metabocards_official NA NA +MJ006932 2-Amino-4-hydroxybutanoic acid, O-Phosphate C4H10NO6P 199.024573 NA MeJP NA NA +MJ006933 O-Phospho-L-homoserine C4H10NO6P 199.024573 NA MeJP NA NA +MetaCyc01818 L-threonine O-3-phosphate [] C4H10N1O6P1 199.024574 NA metacyc NA NA +MetaCyc01819 phosphothreonine [O-phospho-L-threonine;] C4H10N1O6P1 199.024574 1114-81-4 metacyc NA NA +MetaCyc01820 O-phospho-L-homoserine [o-phosphohomoserine;] C4H10N1O6P1 199.024574 NA metacyc NA NA +C01102 O-Phospho-L-homoserine C4H10NO6P 199.0246 NA KEGG NA NA +C05702 O-Phosphorylhomoserine C4H10NO6P 199.0246 NA KEGG NA NA +C12147 L-Threonine O-3-phosphate C4H10NO6P 199.0246 NA KEGG NA NA +C12215 Iminoerythrose 4-phosphate C4H10NO6P 199.0246 NA KEGG NA NA +MJ006934 2-Amino-3-(4-chlorophenyl)propanoic acid C9H10ClNO2 199.040006 NA MeJP NA NA +MetaCyc01821 p-chlorophenylalanine [] C9H10N1O2CL1 199.040006 1991-78-2 metacyc NA NA +C04078 Methylmethionine sulfonium salt C6H14NO2S 199.0434 NA KEGG NA NA +MJ006935 Phenothiazine C12H9NS 199.045569 NA MeJP NA NA +CJneg0348 Hydroxyproline [(M-H)+(HCOONa)]- C6H9NNaO5 199.046225 C18rt(min)=0.9 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0348 Hydroxyproline [(M-H)+(HCOONa)]- C6H9NNaO5 199.046225 C18rt(min)=0.9 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ006936 Clavulanic acid C8H9NO5 199.048072 NA MeJP NA NA +MJ006937 2-Amino-3-(5-carboxy-3-furanyl)propanoic acid C8H9NO5 199.048072 NA MeJP NA NA +MJ006938 ?-Amino-3,4,5-trihydroxybenzeneacetic acid C8H9NO5 199.048072 NA MeJP NA NA +MJ006939 Clavulanic acid C8H9NO5 199.048072 NA MeJP NA NA +MJ006940 ?-Amino-4-carboxy-3-furanpropanoic acid C8H9NO5 199.048072 NA MeJP NA NA +C06662 Clavulanic acid C8H9NO5 199.0481 NA KEGG NA NA +C06663 Olivanic acid C9H10NO4SR 199.0481 NA KEGG NA NA +C11833 Isoclavulanic acid C8H9NO5 199.0481 NA KEGG NA NA +MJ006941 Lazabemide C8H10ClN3O 199.051239 NA MeJP NA NA +MJ006942 2-Aminoethanesulfonic acid; N-(2,3-Dihydroxypropyl) C5H13NO5S 199.051443 NA MeJP NA NA +C03584 3-(Uracil-1-yl)-L-alanine C7H9N3O4 199.0593 NA KEGG NA NA +C08289 Isowillardiine C7H9N3O4 199.0593 NA KEGG NA NA +C15178 5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone C7H9N3O4 199.0593 NA KEGG NA NA +C16402 2,4-Dihydroxylamino-6-nitrotoluene C7H9N3O4 199.0593 NA KEGG NA NA +C16414 2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene C7H9N3O4 199.0593 NA KEGG NA NA +MJ006943 Isowillardiine C7H9N3O4 199.059305 NA MeJP NA NA +MJ006944 Willardiine C7H9N3O4 199.059305 NA MeJP NA NA +MetaCyc01822 3-(uracil-1-yl)-L-alanine [] C7H9N3O4 199.059306 NA metacyc NA NA +MetaCyc01823 isowillardiine [3-(uracil-3-yl)-L-alanine;β-uracil-3-ylalanine;] C7H9N3O4 199.059306 NA metacyc NA NA +MetaCyc01824 willardiine [3-(uracil-1-yl)-L-serine;β-uracil-1-ylalanine;] C7H9N3O4 199.059306 NA metacyc NA NA +C10660 Dictamnine C12H9NO2 199.0633 NA KEGG NA NA +C10697 Isodictamnine C12H9NO2 199.0633 NA KEGG NA NA +MJ006945 4-Methoxyfuro[2,3-b]quinoline C12H9NO2 199.063328 NA MeJP NA NA +MJ006946 Isodictamnine C12H9NO2 199.063328 NA MeJP NA NA +MetaCyc01825 3-(3,4-dihydroxypyridin-1-yl)-L-alanine [] C8H11N2O4 199.071882 NA metacyc NA NA +C04446 3-(3,4-Dihydroxypyridin-1-yl)-L-alanine C8H11N2O4 199.0719 NA KEGG NA NA +MJ006947 Toldimfos C9H14NO2P 199.076215 NA MeJP NA NA +MJ006948 Anticapsin C9H13NO4 199.084457 NA MeJP NA NA +MJ006949 Fulvanine A; 6'-Deoxy C9H13NO4 199.084457 NA MeJP NA NA +8066 synthetic peptide RHS 199.0955 MH2+ Inhouse_peptide NA peptide +MJ006950 N-(2-Cyanoethyl)glutamine C8H13N3O3 199.095691 NA MeJP NA NA +MJ006951 gamma-Glutamyl-beta-aminopropiononitrile C8H13N3O3 199.095691 NA MeJP NA NA +C06114 gamma-Glutamyl-beta-aminopropiononitrile C8H13N3O3 199.0957 NA KEGG NA NA +MJ006952 1-(1H-Indol-3-yl)-3-methyl-2-buten-1-one C13H13NO 199.099714 NA MeJP NA NA +MJ006953 2-(1-Propenyl)quinoline; 4-Methoxy C13H13NO 199.099714 NA MeJP NA NA +MJ006954 3-(3-Methyl-2-butenylidene)-2-indolinone C13H13NO 199.099714 NA MeJP NA NA +MJ006955 5-(1H-Indol-3-yl)-3-penten-2-one C13H13NO 199.099714 NA MeJP NA NA +MJ006956 7-(3-Methyl-2-butenyl)-1H-indole; 1'-Oxo C13H13NO 199.099714 NA MeJP NA NA +MJ006957 N-(3-Phenylpropanoyl)pyrrole C13H13NO 199.099714 NA MeJP NA NA +MJ006958 Cevimeline C10H17NOS 199.103084 NA MeJP NA NA +C11180 Pyrimethanil C12H13N3 199.1109 NA KEGG NA NA +MJ006959 Bis(2-pyridinylmethyl)amine C12H13N3 199.110947 NA MeJP NA NA +MJ006960 Bis(3-pyridylmethyl)amine C12H13N3 199.110947 NA MeJP NA NA +MJ006961 Gapicomine C12H13N3 199.110947 NA MeJP NA NA +C10411 Tussilagine C10H17NO3 199.1208 NA KEGG NA NA +C12448 Ecgonine methyl ester C10H17NO3 199.1208 NA KEGG NA NA +HMDB06406 ecgonine methyl ester C10H17NO3 199.12083 http://www.hmdb.ca/metabolites/HMDB06406 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06406 ecgonine methyl ester C10H17NO3 199.12083 http://www.hmdb.ca/metabolites/HMDB06406 HMDB NA NA +HMDB06406 ecgonine methyl ester C10H17NO3 199.12083 http://www.hmdb.ca/metabolites/HMDB06406 PFEM_hmdb_metabocards_blood NA blood +HMDB06406 ecgonine methyl ester C10H17NO3 199.12083 HMDB06406 PFEM_hmdb_metabocards_official NA NA +MJ006962 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Ac C10H17NO3 199.120843 NA MeJP NA NA +MJ006963 Antibiotic MBH 001 C10H17NO3 199.120843 NA MeJP NA NA +MJ006964 Ecgonine, Me ester C10H17NO3 199.120843 NA MeJP NA NA +MJ006965 Hexahydro-2-hydroxy-2-methyl-1H-pyrrolizine-1-carboxylic acid, Me ester C10H17NO3 199.120843 NA MeJP NA NA +HMDB06406 Ecgonine methyl ester C10H17NO3 199.12085 NA HMDB2010 NA NA +HMDB06829 Protein N6,N6-dimethyl-L-lysine C9H17N3O2 199.13208 http://www.hmdb.ca/metabolites/HMDB06829 HMDB NA NA +HMDB06829 Protein N6,N6-dimethyl-L-lysine C9H17N3O2 199.13208 HMDB06829 PFEM_hmdb_metabocards_official NA NA +MJ006966 2-Pentylquinoline C14H17N 199.136099 NA MeJP NA NA +MJ006967 2-(2-Hydroxypropyl)-1-methyl-5-(2-oxopropyl)pyrrolidine C11H21NO2 199.157228 NA MeJP NA NA +MJ006968 7a-Hydroxyskytanthine, N-Oxide C11H21NO2 199.157228 NA MeJP NA NA +MJ006969 Incarvilline; 5-Hydroxy C11H21NO2 199.157228 NA MeJP NA NA +MJ006970 N,N-Diethyl-4-methyl-1-piperazinecarboxamide C10H21N3O 199.168462 NA MeJP NA NA +C07968 Diethylcarbamazine C10H21N3O 199.1685 NA KEGG NA NA +C07969 Transferred to D00803 C10H21N3O 199.1685 NA KEGG NA NA +C13831 Dodecanamide C12H25NO 199.1936 NA KEGG NA NA +MJ006971 Dodecanoic acid; Amide C12H25NO 199.193614 NA MeJP NA NA +MJ006972 Octamylamine C13H29N 199.229999 NA MeJP NA NA +8025 synthetic peptide PHF 199.589 MH2+ Inhouse_peptide NA peptide +7996 synthetic peptide LHM 199.5912 MH2+ Inhouse_peptide NA peptide +3744 NA VGAPG 199.5995 MH2+ Inhouse_peptide NA peptide +3745 NA GVAPG 199.5995 MH2+ Inhouse_peptide NA peptide +3373 ACE inhibitor from beta-CN PQR 199.6055 MH2+ Inhouse_peptide NA peptide +3625 NA RKP 199.6235 MH2+ Inhouse_peptide NA peptide +3626 NA KRP 199.6235 MH2+ Inhouse_peptide NA peptide +HMDB00222 L-Palmitoylcarnitine C23H45NO4 199.6674345 MH2+ Inhouse_peptide NA peptide +MJ006973 Dibromoacetaldehyde C2H2Br2O 199.847239 NA MeJP NA NA +MJ006974 (Methylthio) (2-propenylthio) selenide C4H8S2Se 199.923263 NA MeJP NA NA +MJ006975 3-Bromo-4-hydroxybenzaldehyde C7H5BrO2 199.947292 NA MeJP NA NA +MJ006976 3-Bromobenzoic acid C7H5BrO2 199.947292 NA MeJP NA NA +MJ006977 Orosomycin; N-De-Me C6H4N2O2S2 199.971418 NA MeJP NA NA +MJ006978 3-Chloro-1,2-propanediol, Dinitrate C3H5ClN2O6 199.983613 NA MeJP NA NA +MJ006979 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid C7H4O7 199.995702 NA MeJP NA NA +MJ006980 2-Chloro-4-nitrobenzoic acid; Amide C7H5ClN2O3 199.998869 NA MeJP NA NA +C07520 Sevoflurane C4H3F7O 200.0072 NA KEGG NA NA +MJ006981 1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propane C4H3F7O 200.007212 NA MeJP NA NA +MJ006982 D-Erythrose 4-phosphate C4H9O7P 200.008589 NA MeJP NA NA +MetaCyc01826 erythrulose-1-phosphate [erythrulose-1-P;glycerotetrulose-1-P;glycerotetrulose-1-phosphate;] C4H9O7P1 200.008589 NA metacyc NA NA +MetaCyc01827 D-erythrose-4-phosphate [erythrose-4P;threose 4-phosphate;erythrose-4-phosphate;erythrose-4-P;D-erythrose-4-P;] C4H9O7P1 200.008589 585-18-2 metacyc NA NA +HMDB01321 D-Erythrose 4-phosphate C4H9O7P 200.00859 http://www.hmdb.ca/metabolites/HMDB01321 HMDB NA NA +HMDB01321 D-Erythrose 4-phosphate C4H9O7P 200.00859 HMDB01321 PFEM_hmdb_metabocards_official NA NA +HMDB01321 D-Erythrose 4-phosphate C4H9O7P 200.008591 NA HMDB2010 NA NA +C00279 D-Erythrose 4-phosphate C4H9O7P 200.0086 NA KEGG NA NA +C03109 D-Threose 4-phosphate C4H9O7P 200.0086 NA KEGG NA NA +C03110 DNA N4-methylcytosine C10H16N3O7P 200.0086 NA KEGG NA NA +C03394 Erythrulose 1-phosphate C4H9O7P 200.0086 NA KEGG NA NA +C03395 Fatty acid methyl ester C2H3O2R 200.0086 NA KEGG NA NA +C03396 Gelatin chain alpha1(I) C2H3O2R 200.0086 NA KEGG NA NA +C03397 Gelatin chain alpha2(I) C2H3O2R 200.0086 NA KEGG NA NA +C03399 Glucosylated glycogenin C2H3O2R 200.0086 NA KEGG NA NA +C03400 Glycoside of aldohexose C6H11O6R 200.0086 NA KEGG NA NA +C03604 D-Erythrulose 4-phosphate C4H9O7P 200.0086 NA KEGG NA NA +C11496 (R)-2-Hydroxypropyl-CoM C5H12O4S2 200.0177 NA KEGG NA NA +C11498 (S)-2-Hydroxypropyl-CoM C5H12O4S2 200.0177 NA KEGG NA NA +MetaCyc01828 2-hydroxypropyl-CoM [] C5H12O4S2 200.0177 NA metacyc NA NA +C13701 CPP C9H9ClO3 200.024 NA KEGG NA NA +MJ006983 4-Chloro-3,5-dihydroxybenzaldehyde; Di-Me ether C9H9ClO3 200.024021 NA MeJP NA NA +MJ006984 2-[4-(2-Thienyl)-1-buten-3-ynyl]furan C12H8OS 200.029585 NA MeJP NA NA +MetaCyc01829 dibenzothiophene-5-oxide [DBTO;] C12H8O1S1 200.029586 1013-23-6 metacyc NA NA +MJ006985 (3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate C8H8O6 200.032088 NA MeJP NA NA +MJ006986 2-Hydroxy-5-carboxymethylmuconate semialdehyde C8H8O6 200.032088 NA MeJP NA NA +MJ006987 4-Fumarylacetoacetate C8H8O6 200.032088 NA MeJP NA NA +MJ006988 4-Maleylacetoacetate C8H8O6 200.032088 NA MeJP NA NA +MetaCyc01830 (1R,2S)-dihydroxy-1,4-dicarboxy-3,5-cyclohexadiene [(1R,2S)-dihydroxy-3,5-cyclohexadiene-1,4-dicarboxylic acid;] C8H8O6 200.032088 NA metacyc NA NA +MetaCyc01831 2-hydroxy-5-carboxymethylmuconate semialdehyde [2-hydroxy-5-carboxymethyl-cis,cis-muconate 6-semialdehyde;2-hydroxy-5-carboxymethylmuconate 6-semialdehyde;5-carboxymethyl-2-hydroxymuconate 6-semialdehyde;5-carboxymethyl-2-hydroxymuconate semialdehyde;] C8H8O6 200.032088 NA metacyc NA NA +MetaCyc01832 (1R,6S)-dihydroxycyclohexa-2,4-diene-1,4-dicarboxylate [Cis-4,5-dihydroxycyclohexa-1(6),2-diene-1,4-dicarboxylate;(1R,6S)-dihydroxycyclohexa-2,4-dicarboxylate;(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate;terephthalate-1,2-cis-dihydrodiol;cis-4,5-dihydroxycyclohexa-1(6),d-diene-1,4-dicarboxylate;] C8H8O6 200.032088 NA metacyc NA NA +MetaCyc01833 cis-4,5-dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate [phthalate-4,5-cis-dihydrodiol;] C8H8O6 200.032088 130073-64-2 metacyc NA NA +MetaCyc01834 4-maleyl-acetoacetate [] C8H8O6 200.032088 NA metacyc NA NA +MetaCyc01835 4-fumaryl-acetoacetate [] C8H8O6 200.032088 NA metacyc NA NA +HMDB01268 4-Fumarylacetoacetic acid C8H8O6 200.032089 NA HMDB2010 NA NA +HMDB02052 Maleylacetoacetic acid C8H8O6 200.032089 NA HMDB2010 NA NA +HMDB01268 4-Fumarylacetoacetic acid C8H8O6 200.03209 http://www.hmdb.ca/metabolites/HMDB01268 HMDB NA NA +HMDB02052 Maleylacetoacetic acid C8H8O6 200.03209 http://www.hmdb.ca/metabolites/HMDB02052 HMDB NA NA +HMDB01268 4-Fumarylacetoacetic acid C8H8O6 200.03209 HMDB01268 PFEM_hmdb_metabocards_official NA NA +HMDB02052 Maleylacetoacetic acid C8H8O6 200.03209 HMDB02052 PFEM_hmdb_metabocards_official NA NA +C01036 4-Maleylacetoacetate C8H8O6 200.0321 NA KEGG NA NA +C01061 4-Fumarylacetoacetate C8H8O6 200.0321 NA KEGG NA NA +C04642 2-Hydroxy-5-carboxymethylmuconate semialdehyde C8H8O6 200.0321 NA KEGG NA NA +C04783 cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate C8H8O6 200.0321 NA KEGG NA NA +C05592 3-Carboxymethylmuconate C8H8O6 200.0321 NA KEGG NA NA +C06318 (3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate C8H8O6 200.0321 NA KEGG NA NA +MJ006989 3-(2-Thiazolyl)-1H-indole C11H8N2S 200.040818 NA MeJP NA NA +MetaCyc01836 3-thiazol-2'-yl-indole [Camalexin;] C11H8N2S1 200.040819 NA metacyc NA NA +MJ006990 Nifuratrone C7H8N2O5 200.043321 NA MeJP NA NA +CJneg0349 Deoxyhexose [(M+Cl)]- C6H12ClO5 200.045725 C18rt(min)=0.91 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0349 Deoxyhexose [(M+Cl)]- C6H12ClO5 200.045725 C18rt(min)=0.91 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ006991 5-Methyl-4H-furo[2,3-b][1]benzopyran-4-one C12H8O3 200.047344 NA MeJP NA NA +MJ006992 Naphtho[1,2-b]furan-4,5-dione; 2,3-Dihydro C12H8O3 200.047344 NA MeJP NA NA +MJ006993 Naphtho[2,3-b]furan-4,9-dione; 2,3-Dihydro C12H8O3 200.047344 NA MeJP NA NA +MJ006994 Ronidazole C6H8N4O4 200.054554 NA MeJP NA NA +C12673 Tegafur C8H9FN2O3 200.0597 NA KEGG NA NA +C12674 Transferred to D01245 C8H9FN2O3 200.0597 NA KEGG NA NA +MJ006995 Tegafur C8H9FN2O3 200.05972 NA MeJP NA NA +MJ006996 2-Chloro-1-hydroxy-3(8),5-ochtodien-4-one C10H13ClO2 200.060407 NA MeJP NA NA +MJ006997 5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione C8H12N2O2S 200.061948 NA MeJP NA NA +MJ006998 3-(1-Formyl-1-propenyl)pentanedioic acid C9H12O5 200.068473 NA MeJP NA NA +MJ006999 5-Ethyl-4-methoxy-6-methyl-2H-pyran-2-one; 1',2'-Dihydroxy C9H12O5 200.068473 NA MeJP NA NA +MJ007000 Antirrhinolide C9H12O5 200.068473 NA MeJP NA NA +MJ007001 Astepyrone C9H12O5 200.068473 NA MeJP NA NA +MJ007002 Rehmaglutin C C9H12O5 200.068473 NA MeJP NA NA +MJ007003 Scabrogenin C9H12O5 200.068473 NA MeJP NA NA +MJ007004 Vertipyronediol C9H12O5 200.068473 NA MeJP NA NA +MJ007005 3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin C10H16S2 200.069341 NA MeJP NA NA +C06659 Dihydroclavaminic acid C8H12N2O4 200.0797 NA KEGG NA NA +C17360 Alanylclavam C8H12N2O4 200.0797 NA KEGG NA NA +MJ007006 Clavalanine C8H12N2O4 200.079706 NA MeJP NA NA +MJ007007 Clavaminic acid, 3,1'-Dihydro C8H12N2O4 200.079706 NA MeJP NA NA +MJ007008 Dihydroclavaminic acid C8H12N2O4 200.079706 NA MeJP NA NA +JH147 Alanyl glutamine [M+H-NH3]+ NA 200.0807 1.12 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH147 Alanyl glutamine [M+H-NH3]+ NA 200.0807 1.12 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH147 Alanyl glutamine [M+H-NH3]+ NA 200.0807 1.12 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH147 Alanyl glutamine [M+H-NH3]+ NA 200.0807 1.12 Inhousejuil11 NA NA +C07721 (+)-(3S,4R)-cis-3,4-Dihydroxy-3,4-dihydrofluorene C13H12O2 200.0837 NA KEGG NA NA +C08458 Safynol C13H12O2 200.0837 NA KEGG NA NA +C08741 Dehydrotremetone C13H12O2 200.0837 NA KEGG NA NA +C14244 4-(Benzyloxyl)phenol C13H12O2 200.0837 NA KEGG NA NA +C14298 Bis(4-hydroxyphenyl)methane C13H12O2 200.0837 NA KEGG NA NA +C14747 2,2'-Bisphenol F C13H12O2 200.0837 NA KEGG NA NA +MJ007009 (+)-(3S,4R)-cis-3,4-Dihydroxy-3,4-dihydrofluorene C13H12O2 200.083729 NA MeJP NA NA +MJ007010 1,5-Tridecadiene-7,9,11-triyne-3,4-diol C13H12O2 200.083729 NA MeJP NA NA +MJ007011 13-Hydroxy-2,8,10-tridecatriene-4,6-diynal C13H12O2 200.083729 NA MeJP NA NA +MJ007012 2,3,6-Trimethyl-1,4-naphthoquinone C13H12O2 200.083729 NA MeJP NA NA +MJ007013 3,11-Tridecadiene-5,7,9-triyne-1,2-diol C13H12O2 200.083729 NA MeJP NA NA +MJ007014 3-(1-Butenyl)-1H-2-benzopyran-1-one C13H12O2 200.083729 NA MeJP NA NA +MJ007015 4,4'-Dihydroxydiphenylmethane C13H12O2 200.083729 NA MeJP NA NA +MJ007016 4-(Benzyloxy)phenol C13H12O2 200.083729 NA MeJP NA NA +MJ007017 4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid; 1'-Aldehyde, Me ether C13H12O2 200.083729 NA MeJP NA NA +MJ007018 4-Methyl-1-azulenecarboxylic acid; Me ester C13H12O2 200.083729 NA MeJP NA NA +MJ007019 5-Acetyl-2-isopropenylbenzofuran C13H12O2 200.083729 NA MeJP NA NA +MJ007020 7-Phenyl-4,6-heptadiyne-2,3-diol C13H12O2 200.083729 NA MeJP NA NA +MJ007021 Goniothalamin C13H12O2 200.083729 NA MeJP NA NA +MJ007022 Mycosinol; 4-Deoxy, 2,3-dihydro (7E-) C13H12O2 200.083729 NA MeJP NA NA +MetaCyc01837 (+)-(3S,4R)-cis-3,4-dihydroxy-3,4-dihydrofluorene [] C13H12O2 200.08373 NA metacyc NA NA +C16362 3,6,8-Trimethylallantoin C7H12N4O3 200.0909 NA KEGG NA NA +MJ007023 5,6-Dihydro-3-phenyl-4H-pyrrolo[1,2-b]pyrazole; 4'-Hydroxy C12H12N2O 200.094963 NA MeJP NA NA +MJ007024 6,7,8,9-Tetrahydropyrido[2,1-b]quinazolin-11-one C12H12N2O 200.094963 NA MeJP NA NA +MJ007025 Harmalol C12H12N2O 200.094963 NA MeJP NA NA +MJ007026 Strychnocarpine C12H12N2O 200.094963 NA MeJP NA NA +C14759 4-Aminophenyl ether C12H12N2O 200.095 NA KEGG NA NA +8051 synthetic peptide PWV 200.0995 MH2+ Inhouse_peptide NA peptide +8188 peptide from buckwheat VPW 200.0995 MH2+ Inhouse_peptide NA peptide +CJpos0522 Hexanoylcarnitine [(M+H)-(NC3H9)]+ C10H17N0O4 200.104275 C18rt(min)=6.65 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0522 Hexanoylcarnitine [(M+H)-(NC3H9)]+ C10H17N0O4 200.104275 C18rt(min)=6.65 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB00603 cis-4-Decenedioic acid C10H16O4 200.104858 NA HMDB2010 NA NA +HMDB13226 cis-4-Decenedioic acid C10H16O4 200.104858 NA HMDB2010 NA NA +HMDB13227 cis-5-Decenedioic acid C10H16O4 200.104858 NA HMDB2010 NA NA +MJ007027 1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid C10H16O4 200.104859 NA MeJP NA NA +MJ007028 1,7-Dihydroxy-3,7-dimethyl-2,5-octadien-4-one, 7-Hydroperoxide C10H16O4 200.104859 NA MeJP NA NA +MJ007029 2,3-Dihydroxy-4-decynoic acid C10H16O4 200.104859 NA MeJP NA NA +MJ007030 2-Decenedioic acid C10H16O4 200.104859 NA MeJP NA NA +MJ007031 3,5,7-Trihydroxy-p-menth-1-en-6-one C10H16O4 200.104859 NA MeJP NA NA +MJ007032 3,7-Dimethyl-2-octene-1,8-dioic acid C10H16O4 200.104859 NA MeJP NA NA +MJ007033 4-Decenedioic acid C10H16O4 200.104859 NA MeJP NA NA +MJ007034 5-Hydroxy-3-(1-hydroxy-2-methylbutyl)-4-methyl-2(5H)-furanone C10H16O4 200.104859 NA MeJP NA NA +MJ007035 Alyxialactone C10H16O4 200.104859 NA MeJP NA NA +MJ007036 Amplexin C10H16O4 200.104859 NA MeJP NA NA +MJ007037 Decarestrictine C1 C10H16O4 200.104859 NA MeJP NA NA +MJ007038 Decarestrictine J C10H16O4 200.104859 NA MeJP NA NA +MJ007039 Djalonenol C10H16O4 200.104859 NA MeJP NA NA +MJ007040 Exogonic acid C10H16O4 200.104859 NA MeJP NA NA +MJ007041 Gelsemiol C10H16O4 200.104859 NA MeJP NA NA +MJ007042 Mussaenin A C10H16O4 200.104859 NA MeJP NA NA +MJ007043 Nepetalinic acid C10H16O4 200.104859 NA MeJP NA NA +MJ007044 Patriscabrol C10H16O4 200.104859 NA MeJP NA NA +MJ007045 Villosol C10H16O4 200.104859 NA MeJP NA NA +HMDB00603 Decenedioic acid C10H16O4 200.10486 http://www.hmdb.ca/metabolites/HMDB00603 HMDB NA NA +HMDB00603 Decenedioic acid C10H16O4 200.10486 HMDB00603 PFEM_hmdb_metabocards_official NA NA +CJpos0523 Asp-Leu Asp-Ile [(M+H)-(HCOOH)]+ C9H17N2O3 200.115575 C18rt(min)=4.95 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0523 Asp-Leu § Asp-Ile [(M+H)-(HCOOH)]+ C9H17N2O3 200.115575 C18rt(min)=4.95 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ007046 4,6,10,12-Tetradecatetraen-8-yn-1-ol, Aldehyde C14H16O 200.120115 NA MeJP NA NA +MJ007047 4,6,12-Tetradecatriene-8,10-diyn-1-ol C14H16O 200.120115 NA MeJP NA NA +MJ007048 4,6,8-Tetradecatriene-10,12-diyn-3-ol C14H16O 200.120115 NA MeJP NA NA +MJ007049 5-Isopropyl-8-methyl-2-naphthol C14H16O 200.120115 NA MeJP NA NA +MJ007050 6,12-Tetradecadien-8,10-diyn-3-one C14H16O 200.120115 NA MeJP NA NA +MJ007051 6-Tetradecene-8,10,12-triyn-3-ol C14H16O 200.120115 NA MeJP NA NA +MJ007052 Chamaecynenol; 3,4-Didehydro,15-aldehyde C14H16O 200.120115 NA MeJP NA NA +MJ007053 Liguhodgsonal, Deoxy C14H16O 200.120115 NA MeJP NA NA +MJ007054 8-Mercapto-p-menthan-3-one, S-Me C11H20OS 200.123485 NA MeJP NA NA +MJ007055 Stendomycidine C8H16N4O2 200.127325 NA MeJP NA NA +C07450 Dexmedetomidine C13H16N2 200.1313 NA KEGG NA NA +C07912 Tetrahydrozoline C13H16N2 200.1313 NA KEGG NA NA +MJ007056 1,2,3,4-Tetrahydro-1-methyl-?-carboline, Nb-Me C13H16N2 200.131348 NA MeJP NA NA +MJ007057 1,3',4',5-Tetrahydro-7'-methylspiro[4H-imidazole-4,2'(1'H)-naphthalene] C13H16N2 200.131348 NA MeJP NA NA +MJ007058 4-[2-(2,6-Dimethylphenyl)ethyl]-1H-imidazole C13H16N2 200.131348 NA MeJP NA NA +MJ007059 Medetomidine C13H16N2 200.131348 NA MeJP NA NA +MJ007060 Tetryzoline C13H16N2 200.131348 NA MeJP NA NA +MJ007061 11-Hydroxy-9-undecenoic acid C11H20O3 200.141244 NA MeJP NA NA +MJ007062 2-(2-Butenylidene)-5-heptene-1,3,4-triol, 2,3-Dihydro C11H20O3 200.141244 NA MeJP NA NA +MJ007063 3-Hexyldihydro-4-hydroxy-5-methyl-2(3H)-furanone C11H20O3 200.141244 NA MeJP NA NA +MJ007064 6-Oxoundecanoic acid C11H20O3 200.141244 NA MeJP NA NA +MJ007065 9-Hydroxy-10-undecenoic acid C11H20O3 200.141244 NA MeJP NA NA +MJ007066 9-Oxononanoic acid; Et ester C11H20O3 200.141244 NA MeJP NA NA +MJ007067 Ficusone C11H20O3 200.141244 NA MeJP NA NA +MJ007068 Valrocemide C10H20N2O2 200.152477 NA MeJP NA NA +MetaCyc01838 dimethylsuberimidate [] C10H20N2O2 200.152478 NA metacyc NA NA +MJ007069 1(10),2,4-Aromadendratriene C15H20 200.1565 NA MeJP NA NA +MJ007070 1,3,5,7(14),10-Bisabolapentaene C15H20 200.1565 NA MeJP NA NA +MJ007071 1,3,5,9,11-Bisabolapentaene C15H20 200.1565 NA MeJP NA NA +MJ007072 2,4,8,10-Pentadecatetraen-6-yne C15H20 200.1565 NA MeJP NA NA +MJ007073 2,9-Pentadecadiene-4,6-diyne C15H20 200.1565 NA MeJP NA NA +MJ007074 3,6,9,12-Pentadecatetraen-1-yne C15H20 200.1565 NA MeJP NA NA +MJ007075 ?-Calacorene C15H20 200.1565 NA MeJP NA NA +MJ007076 Cyclolaurene C15H20 200.1565 NA MeJP NA NA +MJ007077 Isolaurene C15H20 200.1565 NA MeJP NA NA +MJ007078 Laurene C15H20 200.1565 NA MeJP NA NA +MJ007079 ?-Calacorene C15H20 200.1565 NA MeJP NA NA +MJ007080 ?-Corocalene C15H20 200.1565 NA MeJP NA NA +C02679 Dodecanoic acid C12H24O2 200.1776 NA KEGG NA NA +HMDB00638 Dodecanoic acid C12H24O2 200.177628 NA HMDB2010 NA NA +HMDB00638 Dodecanoic acid C12H24O2 200.17763 http://www.hmdb.ca/metabolites/HMDB00638 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00638 Dodecanoic acid C12H24O2 200.17763 http://www.hmdb.ca/metabolites/HMDB00638 HMDB NA NA +MJ007081 1-Decanol; Ac C12H24O2 200.17763 NA MeJP NA NA +MJ007082 1-Octanol; Butanoyl C12H24O2 200.17763 NA MeJP NA NA +MJ007083 10-Methylundecanoic acid C12H24O2 200.17763 NA MeJP NA NA +MJ007084 2,4,6-Trimethylnonanoic acid C12H24O2 200.17763 NA MeJP NA NA +MJ007085 2,4,6-Trimethyloctanoic acid, Me ester C12H24O2 200.17763 NA MeJP NA NA +MJ007086 2,6-Dimethyldecanoic acid C12H24O2 200.17763 NA MeJP NA NA +MJ007087 2,8-Dimethyldecanoic acid C12H24O2 200.17763 NA MeJP NA NA +MJ007088 3,7-Dimethyl-1-octanol, Ac C12H24O2 200.17763 NA MeJP NA NA +MJ007089 4,9-Dimethyldecanoic acid C12H24O2 200.17763 NA MeJP NA NA +MJ007090 5-Isopropyl-3-nonene-2,8-diol C12H24O2 200.17763 NA MeJP NA NA +MJ007091 6-Methyl-3-nonanol; Ac C12H24O2 200.17763 NA MeJP NA NA +MJ007092 8-Hydroxy-2,5,8-trimethyl-4-nonanone C12H24O2 200.17763 NA MeJP NA NA +MJ007093 Decanoic acid; Et ester C12H24O2 200.17763 NA MeJP NA NA +MJ007094 Dodecanoic acid C12H24O2 200.17763 NA MeJP NA NA +MetaCyc01839 dodecanoate [Dodecanoate (n-C12:0);] C12H24O2 200.17763 143-07-7 metacyc NA NA +HMDB00638 Dodecanoic acid C12H24O2 200.17763 http://www.hmdb.ca/metabolites/HMDB00638 PFEM_hmdb_metabocards_blood NA blood +HMDB00638 Dodecanoic acid C12H24O2 200.17763 HMDB00638 PFEM_hmdb_metabocards_official NA NA +C14509 1-Tridecanol C13H28O 200.214 NA KEGG NA NA +MJ007095 1-Tridecanol C13H28O 200.214015 NA MeJP NA NA +MJ007096 9-Methyl-6-dodecanol C13H28O 200.214015 NA MeJP NA NA +MetaCyc01840 1,12-diaminooctane [] C12H28N2 200.225249 NA metacyc NA NA +EUR407 Retinoic acid F5 F5 200.257375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR407 Acide retinoique F5 NA 200.257375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR407 Retinoic acid F5 F5 200.257375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR407 Acide retinoique F5 NA 200.257375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR407 Retinoic acid F5 F5 200.257375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR407 Acide retinoique F5 NA 200.257375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR407 Retinoic acid F5 F5 200.257375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR407 Retinoic acid F5 F5 200.257375 standards wishlist analysés sur QTOF HMDB NA NA +EUR407 Retinoic acid F5 F5 200.257375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR407 Acide retinoique F5 NA 200.257375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR407 Retinoic acid F5 F5 200.257375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR407 Retinoic acid F5 F5 200.257375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +3786 NA GYY 200.5735 MH2+ Inhouse_peptide NA peptide +7867 antioxidative peptide from Okara protein GYY 200.5735 MH2+ Inhouse_peptide NA peptide +7946 Antioxidative peptide YYG 200.5735 MH2+ Inhouse_peptide NA peptide +7967 Antioxidative peptide YGY 200.5735 MH2+ Inhouse_peptide NA peptide +CJpos0524 Taurine (and isomer) [(M-H)+2(K)]+ C2H6O3NK2S 200.925875 C18rt(min)=0.88 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0524 Taurine (and isomer) [(M-H)+2(K)]+ C2H6O3NK2S 200.925875 C18rt(min)=0.88 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C05705 Selenocysteine seleninic acid C3H7NO4Se 200.954 NA KEGG NA NA +MJ007097 Selenocysteine selenate C3H7NO4Se 200.954029 NA MeJP NA NA +HMDB00731 S-sulphocysteine C3H7NO5S2 200.97656 http://www.hmdb.ca/metabolites/HMDB00731 PFEM_hmdb_metabocards_urine NA urine +HMDB00731 S-sulphocysteine C3H7NO5S2 200.97656 http://www.hmdb.ca/metabolites/HMDB00731 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00731 S-sulphocysteine C3H7NO5S2 200.97656 http://www.hmdb.ca/metabolites/HMDB00731 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00731 S-sulphocysteine C3H7NO5S2 200.97656 http://www.hmdb.ca/metabolites/HMDB00731 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00731 S-sulphocysteine C3H7NO5S2 200.97656 http://www.hmdb.ca/metabolites/HMDB00731 HMDB NA NA +HMDB00731 S-sulphocysteine C3H7NO5S2 200.97656 http://www.hmdb.ca/metabolites/HMDB00731 PFEM_hmdb_metabocards_blood NA blood +HMDB00731 S-sulphocysteine C3H7NO5S2 200.97656 HMDB00731 PFEM_hmdb_metabocards_official NA NA +HMDB00731 Cysteine-S-sulfate C3H7NO5S2 200.976562 NA HMDB2010 NA NA +MJ007098 S-Sulfocysteine C3H7NO5S2 200.976563 NA MeJP NA NA +MetaCyc01841 S-sulfo-L-cysteine [S-sulfocysteine;] C3H7N1O5S2 200.976564 NA metacyc NA NA +C05824 S-Sulfo-L-cysteine C3H7NO5S2 200.9766 NA KEGG NA NA +JH055 Acetylcysteine [M+K]+ NA 200.98622 3.81 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH055 Acetylcysteine [M+K]+ NA 200.98622 3.81 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH055 Acetylcysteine [M+K]+ NA 200.98622 3.81 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH055 Acetylcysteine [M+K]+ NA 200.98622 3.81 Inhousejuil11 NA NA +MJ007099 Tetramethylammonium(1+); Iodide C4H12IN 201.001442 NA MeJP NA NA +MJ007100 4-Sulfobenzoic acid; S-Amide C7H7NO4S 201.009578 NA MeJP NA NA +MJ007101 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline C9H9Cl2N 201.011204 NA MeJP NA NA +MJ007102 2-Amino-2-(3-chloro-4-hydroxyphenyl)acetic acid C8H8ClNO3 201.01927 NA MeJP NA NA +MJ007103 ?-Amino-2-chloro-5-hydroxybenzeneacetic acid C8H8ClNO3 201.01927 NA MeJP NA NA +MJ007104 Cavernicolin 1; 5,7-Bisdebromo, 5-chloro C8H8ClNO3 201.01927 NA MeJP NA NA +MetaCyc01842 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H imidazole-5-carboxylate [] C5H5N4O5 201.025994 NA metacyc NA NA +MJ007105 2-(4-Thiazolyl)-1H-benzimidazole C10H7N3S 201.036067 NA MeJP NA NA +CJpos0525 Hippuric acid [(M+Na)]+ C9H9NNaO3 201.039675 C18rt(min)=5.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0525 Hippuric acid [(M+Na)]+ C9H9NNaO3 201.039675 C18rt(min)=5.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +JH094 Hippuric acid [M+Na]+ NA 201.0414 10.55 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH094 Hippuric acid [M+Na]+ NA 201.0414 10.55 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH094 Hippuric acid [M+Na]+ NA 201.0414 10.55 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH094 Hippuric acid [M+Na]+ NA 201.0414 10.55 Inhousejuil11 NA NA +CJneg0350 Deoxyhexose [(M+Cl)]- (13C) C513CH12ClO5 201.049025 C18rt(min)=0.91 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0350 Deoxyhexose [(M+Cl)]- (13C) C513CH12ClO5 201.049025 C18rt(min)=0.91 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0351 Stachydrine (Proline betaine) [(M-H)+(NaCl)]- C7H12ClNNaO2 201.053825 C18rt(min)=0.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0351 Stachydrine (Proline betaine) [(M-H)+(NaCl)]- C7H12ClNNaO2 201.053825 C18rt(min)=0.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ007106 1-Methyl-4-mercaptohistidine C7H11N3O2S 201.057197 NA MeJP NA NA +MJ007107 5-Mercaptohistidine, 1-Me C7H11N3O2S 201.057197 NA MeJP NA NA +MJ007108 Leptosphaerin C8H11NO5 201.063722 NA MeJP NA NA +MJ007109 Misonidazole C7H11N3O4 201.074955 NA MeJP NA NA +C11172 Simazine C7H12ClN5 201.0781 NA KEGG NA NA +MJ007110 Methylcarbamic acid; 1-Naphthyl ester C12H11NO2 201.078978 NA MeJP NA NA +C07491 Carbaryl C12H11NO2 201.079 NA KEGG NA NA +C08061 2'-Aminobiphenyl-2,3-diol C12H11NO2 201.079 NA KEGG NA NA +8050 synthetic peptide PWT 201.089 MH2+ Inhouse_peptide NA peptide +MJ007111 4-Amino-6-methyl-2-phenyl-3(2H)-pyridazinone C11H11N3O 201.090211 NA MeJP NA NA +MJ007112 Edrophonium(1+); Chloride C10H16ClNO 201.092041 NA MeJP NA NA +CJpos0526 Pantothenic acid [(M+H)-(H2O)]+ C9H16O4N 201.099575 C18rt(min)=4.77 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0526 Pantothenic acid [(M+H)-(H2O)]+ C9H16O4N 201.099575 C18rt(min)=4.77 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +EUR343 pantothenic acid F3 F3 201.100475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR343 Acide pantothenique F3 NA 201.100475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR343 pantothenic acid F3 F3 201.100475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR343 Acide pantothenique F3 NA 201.100475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR343 pantothenic acid F3 F3 201.100475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR343 Acide pantothenique F3 NA 201.100475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR343 pantothenic acid F3 F3 201.100475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR343 pantothenic acid F3 F3 201.100475 standards wishlist analysés sur QTOF HMDB NA NA +EUR343 pantothenic acid F3 F3 201.100475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR343 Acide pantothenique F3 NA 201.100475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR343 pantothenic acid F3 F3 201.100475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR343 pantothenic acid F3 F3 201.100475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +JH152 Pantothenic acid [M+H-H20]+ NA 201.1017 6.63 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH152 Pantothenic acid [M+H-H20]+ NA 201.1017 6.63 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH152 Pantothenic acid [M+H-H20]+ NA 201.1017 6.63 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH152 Pantothenic acid [M+H-H20]+ NA 201.1017 6.63 Inhousejuil11 NA NA +8319 Dvl protein binding VWV 201.1075 MH2+ Inhouse_peptide NA peptide +C02691 Heteropyrithiamine C11H13N4 201.114 NA KEGG NA NA +MetaCyc01843 heteropyrithiamine [] C11H13N4 201.114021 NA metacyc NA NA +MJ007113 1-Cinnamoylpyrrolidine C13H15NO 201.115364 NA MeJP NA NA +MJ007114 4-Hydroxy-2-propylquinoline; NH-form, N-Me C13H15NO 201.115364 NA MeJP NA NA +MJ007115 4-Hydroxy-2-propylquinoline; OH-form, Me ether C13H15NO 201.115364 NA MeJP NA NA +MJ007116 4-Hydroxyphenylacetic acid; O-(3-Methyl-2-butenyl), nitrile C13H15NO 201.115364 NA MeJP NA NA +MJ007117 Indanazoline C12H15N3 201.126597 NA MeJP NA NA +HMDB00832 Capryloylglycine C10H19NO3 201.13649 http://www.hmdb.ca/metabolites/HMDB00832 HMDB NA NA +HMDB00832 Capryloylglycine C10H19NO3 201.13649 HMDB00832 PFEM_hmdb_metabocards_official NA NA +HMDB00832 Capryloylglycine C10H19NO3 201.13649 NA HMDB2010 NA NA +MJ007118 2-Amino-3-hydroxy-4-methyl-6-octenoic acid, N-Me C10H19NO3 201.136493 NA MeJP NA NA +MJ007119 8-Amino-2-methyl-7-oxononanoic acid C10H19NO3 201.136493 NA MeJP NA NA +MJ007120 Alanine, N-(5-Methyl-3-oxohexyl) C10H19NO3 201.136493 NA MeJP NA NA +3752 NA KKK 201.141 MH2+ Inhouse_peptide NA peptide +8116 peptide derived from sardinelle by-products proteins (Sardinella aurita) GAWA 201.587 MH2+ Inhouse_peptide NA peptide +MJ007121 1,2,4,5,7-Pentathiocane C3H6S5 201.907303 NA MeJP NA NA +MJ007122 1,2,4,6-Tetrathiepane; 4,4-Dioxide C3H6O2S4 201.925062 NA MeJP NA NA +MJ007123 1,5,2,4-Dioxadithiepane; S,S,S',S'-Tetraoxide C3H6O6S2 201.960579 NA MeJP NA NA +MJ007124 3-Bromo-4-hydroxybenzyl alcohol C7H7BrO2 201.962942 NA MeJP NA NA +MJ007125 5-Bromo-2-hydroxybenzyl alcohol C7H7BrO2 201.962942 NA MeJP NA NA +C00703 Mercury(2+) Hg 201.9706 NA KEGG NA NA +C01319 Hg Hg 201.9706 NA KEGG NA NA +C01321 RI IR 201.9706 NA KEGG NA NA +C01322 RX XR 201.9706 NA KEGG NA NA +MetaCyc01844 Hg2+ [Hg++;Hg+2;mercury ion;mercury (II);] HG1 201.970626 NA metacyc NA NA +MetaCyc01845 Hg0 [elemental mercury;metallic mercury;mercury;quicksilver;] HG1 201.970626 NA metacyc NA NA +HMDB03625 Mercury Hg 201.97064 http://www.hmdb.ca/metabolites/HMDB03625 PFEM_hmdb_metabocards_urine NA urine +HMDB03625 Mercury Hg 201.97064 http://www.hmdb.ca/metabolites/HMDB03625 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03625 Mercury Hg 201.97064 http://www.hmdb.ca/metabolites/HMDB03625 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB03625 Mercury Hg 201.97064 http://www.hmdb.ca/metabolites/HMDB03625 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB03625 Mercury Hg 201.97064 http://www.hmdb.ca/metabolites/HMDB03625 HMDB NA NA +HMDB03625 Mercury Hg 201.97064 http://www.hmdb.ca/metabolites/HMDB03625 PFEM_hmdb_metabocards_blood NA blood +HMDB03625 Mercury Hg 201.97064 HMDB03625 PFEM_hmdb_metabocards_official NA NA +HMDB03625 Mercury [Hg]2+ 201.970642 NA HMDB2010 NA NA +CJneg0352 Oxalic acid [(2M-2H+Na)]- C4H2NaO8 201.973125 C18rt(min)=0.95 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0352 Oxalic acid [(2M-2H+Na)]- C4H2NaO8 201.973125 C18rt(min)=0.95 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +C14397 Dinitrochlorobenzene C6H3ClN2O4 201.9781 NA KEGG NA NA +MetaCyc01846 1-chloro-2,4-dinitrobenzene [CDNB;] C6H3N2O4CL1 201.978134 NA metacyc NA NA +MJ007126 4-Sulfobenzoate C7H6O5S 201.993594 NA MeJP NA NA +MetaCyc01847 4-sulfobenzoate [] C7H6O5S1 201.993594 636-78-2 metacyc NA NA +C02236 4-Sulfobenzoate C7H6O5S 201.9936 NA KEGG NA NA +C06206 Benzoyl phosphate C7H7O5P 202.0031 NA KEGG NA NA +MJ007127 Benzoyl phosphate C7H7O5P 202.003109 NA MeJP NA NA +MJ007128 4-(Hydroxyphenyl)diazenesulfonic acid C6H6N2O4S 202.004827 NA MeJP NA NA +MJ007129 2-Hydroxy-2-hydropyrone-4,6-dicarboxylate C7H6O7 202.011352 NA MeJP NA NA +MJ007130 4-Carboxy-2-hydroxy-cis,cis-muconate C7H6O7 202.011352 NA MeJP NA NA +MJ007131 4-Carboxy-2-hydroxyhexa-2,4-dienedioate C7H6O7 202.011352 NA MeJP NA NA +MJ007132 4-Carboxy-2-oxo-3-hexenedioate C7H6O7 202.011352 NA MeJP NA NA +MJ007133 Prozymonic acid C7H6O7 202.011352 NA MeJP NA NA +MetaCyc01848 4-oxalomesaconate [γ-oxalomesaconate;(E)-3-carboxy-5-oxo-2-hexenedioic-acid;] C7H6O7 202.011353 NA metacyc NA NA +MetaCyc01849 4-carboxy-2-hydroxy-cis,cis-muconate [4-carboxy-2-hydroxyhexa-2,4-cis,cis-dienedioate;] C7H6O7 202.011353 NA metacyc NA NA +MetaCyc01850 4-carboxy-2-oxo-3-hexenedioate [] C7H6O7 202.011353 NA metacyc NA NA +MetaCyc01851 4-carboxy-2-hydroxyhexa-2,4-dienedioate [2-hydroxy-4-carboxymuconate;4-carboxy-2-hydroxymuconate;] C7H6O7 202.011353 NA metacyc NA NA +C04324 4-Carboxy-2-hydroxy-cis,cis-muconate C7H6O7 202.0114 NA KEGG NA NA +C04434 (E)-4-Oxobut-1-ene-1,2,4-tricarboxylate C7H6O7 202.0114 NA KEGG NA NA +C04451 4-Carboxy-2-hydroxyhexa-2,4-dienedioate C7H6O7 202.0114 NA KEGG NA NA +C05364 4-Carboxy-2-oxo-3-hexenedioate C7H6O7 202.0114 NA KEGG NA NA +C05365 E-Coniferyl alcohol C7H6O7 202.0114 NA KEGG NA NA +C03494 D-Erythritol 4-phosphate C4H11O7P 202.0242 NA KEGG NA NA +MetaCyc01852 D-erythritol-4-phosphate [] C4H11O7P1 202.024239 NA metacyc NA NA +C00758 Bergaptol C11H6O4 202.0266 NA KEGG NA NA +C00759 Caldesmon C11H6O4 202.0266 NA KEGG NA NA +C00760 Cellulose C11H6O4 202.0266 NA KEGG NA NA +C00841 Xanthotoxol C11H6O4 202.0266 NA KEGG NA NA +C18084 Isobergaptol C11H6O4 202.0266 NA KEGG NA NA +C18085 6-Hydroxyangelicin C11H6O4 202.0266 NA KEGG NA NA +C18086 2'-Hydroxy caffeic acid C8H7O3R 202.0266 NA KEGG NA NA +C18087 2'-Hydroxyferulic acid C9H9O3R 202.0266 NA KEGG NA NA +C18088 2'-Hydroxy-MDCA C9H7O3R 202.0266 NA KEGG NA NA +C18089 2',4'-Dihydroxycinnamic acid C8H7O2R 202.0266 NA KEGG NA NA +MJ007134 6-Hydroxy-2H-furo[2,3-h]-1-benzopyran-2-one C11H6O4 202.026608 NA MeJP NA NA +MJ007135 Bergaptol C11H6O4 202.026608 NA MeJP NA NA +MJ007136 Isobergaptol C11H6O4 202.026608 NA MeJP NA NA +MJ007137 Xanthotoxol C11H6O4 202.026608 NA MeJP NA NA +MetaCyc01853 xanthotoxol [8-hydroxyfuranocoumarin;] C11H6O4 202.026609 2009-24-7 metacyc NA NA +MetaCyc01854 bergaptol [5-hydroxyfuranocoumarin;] C11H6O4 202.026609 486-60-2 metacyc NA NA +MJ007138 Magnesium lactate C6H10MgO6 202.032779 NA MeJP NA NA +C12248 5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate C5H6N4O5 202.0338 NA KEGG NA NA +MJ007139 3-(4-Chlorophenoxy)-1,2-propanediol C9H11ClO3 202.039671 NA MeJP NA NA +MJ007140 4-Chloro-3,5-dihydroxybenzyl alcohol; 1,3-Di-Me ether C9H11ClO3 202.039671 NA MeJP NA NA +C07928 Chlorphenesin C9H11ClO3 202.0397 NA KEGG NA NA +C07929 Transferred to D00769 C9H11ClO3 202.0397 NA KEGG NA NA +CJneg0353 Deoxyhexose [(M+Cl)]- (37Cl) C6H12Cl037ClO5 202.042725 C18rt(min)=0.91 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0353 Deoxyhexose [(M+Cl)]- (37Cl) C6H12Cl037ClO5 202.042725 C18rt(min)=0.91 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0527 Hexose [(M+Na)]+ C6H12NaO6 202.044775 C18rt(min)=0.92 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0527 Hexose [(M+Na)]+ C6H12NaO6 202.044775 C18rt(min)=0.92 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ007141 1-(2,3-Dihydro-2-furyl)-4-(thien-2-yl)but-1-en-3-yne C12H10OS 202.045235 NA MeJP NA NA +MJ007142 5-(Methylthio)-1-phenyl-4-penten-2-yn-1-one C12H10OS 202.045235 NA MeJP NA NA +MJ007143 cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate C8H10O6 202.047738 NA MeJP NA NA +MetaCyc01855 cis-(homo)2aconitate [(Z)-1,2,5-pent-1-enetricarboxylic acid;] C8H10O6 202.047738 NA metacyc NA NA +MJ007144 Antafenite C11H10N2S 202.056469 NA MeJP NA NA +MJ007145 Penmacric acid C7H10N2O5 202.058971 NA MeJP NA NA +MJ007146 2,2'-Dihydroxydiphenyl ether C12H10O3 202.062994 NA MeJP NA NA +MJ007147 2,5-Diacetylbenzofuran C12H10O3 202.062994 NA MeJP NA NA +MJ007148 2-(1-Methylethenyl)-5-benzofurancarboxylic acid C12H10O3 202.062994 NA MeJP NA NA +MJ007149 2-Hydroxy-3,6-dimethyl-1,4-naphthoquinone C12H10O3 202.062994 NA MeJP NA NA +MJ007150 4,5-Dihydroxy-2-naphthalenecarboxaldehyde; 4-Me ether C12H10O3 202.062994 NA MeJP NA NA +MJ007151 4-Hydroxy-2H-1-benzopyran-2-one; 2-Oxo-form, 4-(2-Propenyl) ether C12H10O3 202.062994 NA MeJP NA NA +MJ007152 4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid C12H10O3 202.062994 NA MeJP NA NA +MJ007153 4-Hydroxy-6-phenyl-2(1H)-pyranone; Me ether C12H10O3 202.062994 NA MeJP NA NA +MJ007154 5-Hydroxy-2,3-dimethyl-1,4-naphthoquinone C12H10O3 202.062994 NA MeJP NA NA +MJ007155 5-Hydroxy-2-methyl-1,4-naphthoquinone; Me ether C12H10O3 202.062994 NA MeJP NA NA +MJ007156 7-(Hydroxymethyl)-2-methylnaphthoquinone C12H10O3 202.062994 NA MeJP NA NA +MJ007157 8-Hydroxy-3-methyl-1,2-naphthoquinone; Me ether C12H10O3 202.062994 NA MeJP NA NA +MJ007158 8-Hydroxy-6-methyl-1,2-naphthoquinone; Me ether C12H10O3 202.062994 NA MeJP NA NA +MJ007159 Frustulosin C12H10O3 202.062994 NA MeJP NA NA +MJ007160 Spizofurone C12H10O3 202.062994 NA MeJP NA NA +MJ007161 2,2',3-Trihydroxybiphenyl C12H10O3 202.062994 NA MeJP NA NA +MetaCyc01856 2,2',3-trihydroxybiphenyl [] C12H10O3 202.062994 91368-55-7 metacyc NA NA +C03569 2,2',3-Trihydroxybiphenyl C12H10O3 202.063 NA KEGG NA NA +C06732 alpha,beta-Didehydrotryptophan C11H10N2O2 202.0742 NA KEGG NA NA +C10744 Vasicinone C11H10N2O2 202.0742 NA KEGG NA NA +MJ007162 2,3-Dihydropyrrolo[2,1-b]quinazolin-9(1H)-one; 5-Hydroxy C11H10N2O2 202.074227 NA MeJP NA NA +MJ007163 2,3-Dihydropyrrolo[2,1-b]quinazolin-9(1H)-one; N4-Oxide C11H10N2O2 202.074227 NA MeJP NA NA +MJ007164 7-Amino-1,6-dimethyl-5,8-isoquinolinedione C11H10N2O2 202.074227 NA MeJP NA NA +MJ007165 Damirone A; N5-De-Me C11H10N2O2 202.074227 NA MeJP NA NA +MJ007166 Dehydrotryptophan C11H10N2O2 202.074227 NA MeJP NA NA +MJ007167 Tolimidone C11H10N2O2 202.074227 NA MeJP NA NA +MJ007168 Vasicinone C11H10N2O2 202.074227 NA MeJP NA NA +MetaCyc01857 α,β-didehydrotryptophan [] C11H10N2O2 202.074228 NA metacyc NA NA +MJ007169 Fluoranthene C16H10 202.07825 NA MeJP NA NA +C14335 Pyrene C16H10 202.0783 NA KEGG NA NA +C04067 Diethyl 2-methyl-3-oxosuccinate C9H14O5 202.0841 NA KEGG NA NA +MJ007170 2,10-Dioxatricyclo[6.2.1.05,11]undecane-6,7,8-triol C9H14O5 202.084123 NA MeJP NA NA +MJ007171 3-(1-Formyl-1-propenyl)pentanedioic acid, 9-Alcohol C9H14O5 202.084123 NA MeJP NA NA +MJ007172 6-Deoxy-arabino-hexos-5-ulose; D-Furanose-form, ?-1,2-O-Isopropylidene C9H14O5 202.084123 NA MeJP NA NA +MJ007173 Bissetone C9H14O5 202.084123 NA MeJP NA NA +MJ007174 Dihydro-3-(1-hydroxyethyl)-4-methyl-2(3H)-furanone; 5-Acetoxy C9H14O5 202.084123 NA MeJP NA NA +MJ007175 Dihydrocatalpolgenin C9H14O5 202.084123 NA MeJP NA NA +MJ007176 Eucommiol; 1-Carboxylic acid C9H14O5 202.084123 NA MeJP NA NA +MJ007177 Rehmaglutin A C9H14O5 202.084123 NA MeJP NA NA +MetaCyc01858 diethyl-2-methyl-3-oxosuccinate [] C9H14O5 202.084124 759-65-9 metacyc NA NA +C10930 Metamitron C10H10N4O 202.0855 NA KEGG NA NA +MJ007178 Proclavaminic acid C8H14N2O4 202.095356 NA MeJP NA NA +MJ007179 Coprine C8H14N2O4 202.095356 NA MeJP NA NA +MJ007180 Proclavaminic acid C8H14N2O4 202.095356 NA MeJP NA NA +MJ007181 ?-Amino-2-carboxy-1-azetidinebutanoic acid C8H14N2O4 202.095356 NA MeJP NA NA +MetaCyc01859 proclavaminate [] C8H14N2O4 202.095357 NA metacyc NA NA +C06658 Proclavaminic acid C8H14N2O4 202.0954 NA KEGG NA NA +C08271 Coprine C8H14N2O4 202.0954 NA KEGG NA NA +PJ000033 SP C8H14N2O4 202.0954 NA PeJP NA NA +8017 synthetic peptide LWS 202.0975 MH2+ Inhouse_peptide NA peptide +3976 ACE inhibitor LAMA 202.0992 MH2+ Inhouse_peptide NA peptide +MJ007182 1,5,11-Tridecatriene-7,9-diyne-3,4-diol C13H14O2 202.099379 NA MeJP NA NA +MJ007183 1-(2-Hydroxy-5-vinylphenyl)-3-methyl-2-buten-1-one C13H14O2 202.099379 NA MeJP NA NA +MJ007184 2,8,10-Tridecatriene-4,6-diyn-1-ol; 10,11-Epoxide C13H14O2 202.099379 NA MeJP NA NA +MJ007185 3,5,11-Tridecadiene-7,9-diyne-1,2-diol C13H14O2 202.099379 NA MeJP NA NA +MJ007186 3,5,11-Tridecatriene-7,9-diyne-1,2-diol C13H14O2 202.099379 NA MeJP NA NA +MJ007187 3-(3-Methylbutylidene)-1(3H)-isobenzofuranone C13H14O2 202.099379 NA MeJP NA NA +MJ007188 3-Methyl-1,8-naphthalenediol; Di-Me ether C13H14O2 202.099379 NA MeJP NA NA +MJ007189 3-Tridecene-5,7,9-triyne-1,2-diol C13H14O2 202.099379 NA MeJP NA NA +MJ007190 4-Acetyl-2-(3-methyl-1,3-butadienyl)phenol C13H14O2 202.099379 NA MeJP NA NA +MJ007191 4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid; 1'-Alcohol, Me ether C13H14O2 202.099379 NA MeJP NA NA +MJ007192 6-Acetyl-2,2-dimethyl-2H-1-benzopyran C13H14O2 202.099379 NA MeJP NA NA +MJ007193 7-Acetyl-4-methylene-1,2,3,4-tetrahydro-1-naphthalenol C13H14O2 202.099379 NA MeJP NA NA +MJ007194 Incrustoporin C13H14O2 202.099379 NA MeJP NA NA +MJ007195 Myrochromanol, Ketone C13H14O2 202.099379 NA MeJP NA NA +MJ007196 Tremetone C13H14O2 202.099379 NA MeJP NA NA +C08992 Tremetone C13H14O2 202.0994 NA KEGG NA NA +MetaCyc01860 isopentenyladenine [N6-Δ2-isopentenyladenine;iP;] C10H12N5 202.10927 NA metacyc NA NA +MJ007197 1,2,3,4-Tetrahydro-1-methyl-?-carboline, Nb-Oxide C12H14N2O 202.110613 NA MeJP NA NA +MJ007198 1,2,3,4-Tetrahydro-6-hydroxy-?-carboline; Me ether C12H14N2O 202.110613 NA MeJP NA NA +MJ007199 1H-Indole-3-propanoic acid; Methylamide C12H14N2O 202.110613 NA MeJP NA NA +MJ007200 7-Hydroxy-1-methyl-?-carboline; 1,2,3,4-Tetrahydro C12H14N2O 202.110613 NA MeJP NA NA +MJ007201 Acetryptine C12H14N2O 202.110613 NA MeJP NA NA +MJ007202 Dehydrobufotenine C12H14N2O 202.110613 NA MeJP NA NA +MJ007203 Horsfiline, Demethoxy C12H14N2O 202.110613 NA MeJP NA NA +MJ007204 Newbouldine, 4'-Hydroxy C12H14N2O 202.110613 NA MeJP NA NA +MJ007205 Shepherdine C12H14N2O 202.110613 NA MeJP NA NA +MJ007206 Tryptamine; Nb-Ac C12H14N2O 202.110613 NA MeJP NA NA +MJ007207 Tryptamine; Nb-Formyl, Nb-Me C12H14N2O 202.110613 NA MeJP NA NA +CJpos0528 Heptylmalonic acid [(M+H)]+ C10H19O4 202.119975 C18rt(min)=6.05 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0529 2-ethylsuberic acid [(M+H)]+ C10H19O4 202.119975 C18rt(min)=6.6 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0528 Heptylmalonic acid [(M+H)]+ C10H19O4 202.119975 C18rt(min)=6.05 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0529 2-ethylsuberic acid [(M+H)]+ C10H19O4 202.119975 C18rt(min)=6.6 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C08277 Sebacic acid C10H18O4 202.1205 NA KEGG NA NA +C14566 Diethyl adipate C10H18O4 202.1205 NA KEGG NA NA +C17803 Dimethyl suberate C10H18O4 202.1205 NA KEGG NA NA +MJ007208 2-Hydroxy-3-methylbutanoic acid, 3-Methylbutanoyl C10H18O4 202.120509 NA MeJP NA NA +MJ007209 3,5,7-Trihydroxy-p-menth-1-en-6-one, 6?-Alcohol C10H18O4 202.120509 NA MeJP NA NA +MJ007210 Decanedioic acid C10H18O4 202.120509 NA MeJP NA NA +MJ007211 Feigrisolide A C10H18O4 202.120509 NA MeJP NA NA +MJ007212 Oxalic acid; Dibutyl ester C10H18O4 202.120509 NA MeJP NA NA +MetaCyc01861 sebacate [sebacic acid;1,10-decanedioic acid;1,8-Octanedicarboxylic acid;n-decanedioic acid;decanedioic acid;decanedicarboxylic acid;] C10H18O4 202.120509 111-20-6 metacyc NA NA +HMDB00792 Sebacic acid C10H18O4 202.12051 http://www.hmdb.ca/metabolites/HMDB00792 PFEM_hmdb_metabocards_urine NA urine +HMDB00792 Sebacic acid C10H18O4 202.12051 http://www.hmdb.ca/metabolites/HMDB00792 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00792 Sebacic acid C10H18O4 202.12051 http://www.hmdb.ca/metabolites/HMDB00792 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00792 Sebacic acid C10H18O4 202.12051 http://www.hmdb.ca/metabolites/HMDB00792 HMDB NA NA +HMDB00792 Sebacic acid C10H18O4 202.12051 HMDB00792 PFEM_hmdb_metabocards_official NA NA +HMDB00792 Sebacic acid C10H18O4 202.120514 NA HMDB2010 NA NA +3175 dipeptidyl-aminopeptidase IV inhibitor LA 202.121 celiac toxic Inhouse_peptide NA peptide +4006 Ubiqitin-mediated proteolysis activating peptide LA 202.121 antifungal Inhouse_peptide NA peptide +7562 ACE inhibitor from soy hydrolysate IA 202.121 antioxidative Inhouse_peptide NA peptide +7585 ACE inhibitor LA 202.121 antioxidative Inhouse_peptide NA peptide +8193 ACE inhibitor AI 202.121 NA ;SYN:Argininosuccinate; Argininosuccinic acid; Arginosuccinate; Arginosuccinic acid; L-Argininosuccinate; L-Argininosuccinic acid; L-Arginosuccinate; L-Arginosuccinic acid; N-(((4-amino-4-carboxybutyl)amino)iminomethyl)-L-Aspartate; N-(((4-amino-4-carboxybutyl)amino)iminomethyl)-L-Aspartic acid; N-[(4-amino-4-carboxybutyl)amidino]-L-Aspartate; N-[(4-amino-4-carboxybutyl)amidino]-L-Aspartic acid; N-[[(4-amino-4-carboxybutyl)amino]iminomethyl]-L-Aspartate; N-[[(4-amino-4-carboxybutyl)amino]iminomethyl]-L-Aspartic acid; 2-(N(omega)-L-arginino)succinate; 2-(N(omega)-L-arginino)succinic acid; N-(L-arginino) succinate; N-(L-arginino) succinic acid; 2-(Nw-L-arginino)butanedioic acid; 2-(N(omega)-L-arginine)succinate; 2-(N(omega)-L-arginine)succinic acid; N-(L-Arginino)succinate; N-(L-Arginino)succinic acid; ASA; N(omega)-(L-arginino)succinate; N(omega)-(L-arginino)succinic acid; 2-(Nw-L-arginino)butanedioateH2Blood; Urine Inhouse_peptide NA peptide +CJneg0354 Sebacic acid [M-H]- C10H17O4 202.121025 C18rt(min)=7.65 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0355 2-ethylsuberic acid [(M-H)]- C10H17O4 202.121025 C18rt(min)=6.6 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0356 Heptylmalonic acid [(M-H)]- C10H17O4 202.121025 C18rt(min)=6.05 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0354 Sebacic acid [M-H]- C10H17O4 202.121025 C18rt(min)=7.65 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0355 2-ethylsuberic acid [(M-H)]- C10H17O4 202.121025 C18rt(min)=6.6 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0356 Heptylmalonic acid [(M-H)]- C10H17O4 202.121025 C18rt(min)=6.05 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ007213 3,4-Diaminobutanoic acid, N4-Tri-Me, N3-Ac C9H18N2O3 202.131742 NA MeJP NA NA +PJ000034 AL C9H18N2O3 202.1318 NA PeJP NA NA +MJ007214 1,2,3,4-Tetrahydro-2-isopropenyl-8-methyl-1-naphthol C14H18O 202.135765 NA MeJP NA NA +MJ007215 13-Nor-2,4(15)-eudesmadien-11-yn-1-ol C14H18O 202.135765 NA MeJP NA NA +MJ007216 4,6,10,12-Tetradecatetraen-8-yn-1-ol C14H18O 202.135765 NA MeJP NA NA +MJ007217 4-(1-Propenyl)phenol, O-(3-Methyl-2-butenyl) C14H18O 202.135765 NA MeJP NA NA +MJ007218 4-(2-Propenyl)phenol; O-(3-Methyl-2-butenyl) C14H18O 202.135765 NA MeJP NA NA +MJ007219 5-(1,3-Heptadienyl)-6-methylene-2-cyclohexen-1-one C14H18O 202.135765 NA MeJP NA NA +MJ007220 6,12-Tetradecadiene-8,10-diyn-3-ol C14H18O 202.135765 NA MeJP NA NA +MJ007221 8-Tetradecene-11,13-diyn-2-one C14H18O 202.135765 NA MeJP NA NA +MJ007222 Anisoxide C14H18O 202.135765 NA MeJP NA NA +MJ007223 Chamaecynenol; 3,4-Didehydro C14H18O 202.135765 NA MeJP NA NA +MJ007224 Chamaecynone C14H18O 202.135765 NA MeJP NA NA +MJ007225 Khusilal C14H18O 202.135765 NA MeJP NA NA +MJ007226 Ligudentatol C14H18O 202.135765 NA MeJP NA NA +C12288 alpha-Amylcinnamaldehyde C14H18O 202.1358 NA KEGG NA NA +HMDB01539 Dimethyl-L-arginine C8H18N4O2 202.14297 http://www.hmdb.ca/metabolites/HMDB01539 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03334 Symmetric dimethylarginine C8H18N4O2 202.14297 http://www.hmdb.ca/metabolites/HMDB03334 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01539 Dimethyl-L-arginine C8H18N4O2 202.14297 http://www.hmdb.ca/metabolites/HMDB01539 HMDB NA NA +HMDB03334 Symmetric dimethylarginine C8H18N4O2 202.14297 http://www.hmdb.ca/metabolites/HMDB03334 HMDB NA NA +HMDB01539 Dimethyl-L-arginine C8H18N4O2 202.14297 http://www.hmdb.ca/metabolites/HMDB01539 PFEM_hmdb_metabocards_blood NA blood +HMDB03334 Symmetric dimethylarginine C8H18N4O2 202.14297 http://www.hmdb.ca/metabolites/HMDB03334 PFEM_hmdb_metabocards_blood NA blood +HMDB01539 Dimethyl-L-arginine C8H18N4O2 202.14297 HMDB01539 PFEM_hmdb_metabocards_official NA NA +HMDB03334 Symmetric dimethylarginine C8H18N4O2 202.14297 HMDB03334 PFEM_hmdb_metabocards_official NA NA +LABER054 Sym Dimethylarginine NA 202.142975 RT 2.18 fragt 158.1287, 116.0706, 88.0869 PFEM_hmdb_metabocards_urine NA urine +LABER054 Sym Dimethylarginine NA 202.142975 RT 2.18 fragt 158.1287, 116.0706, 88.0869 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER054 Sym Dimethylarginine NA 202.142975 RT 2.18 fragt 158.1287, 116.0706, 88.0869 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER054 Sym Dimethylarginine NA 202.142975 RT 2.18 fragt 158.1287, 116.0706, 88.0869 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER054 Sym Dimethylarginine NA 202.142975 RT 2.18 fragt 158.1287, 116.0706, 88.0869 HMDB NA NA +HMDB01539 Dimethyl-L-arginine C8H18N4O2 202.142975 NA HMDB2010 NA NA +HMDB03334 Symmetric dimethylarginine C8H18N4O2 202.142975 NA HMDB2010 NA NA +LABER054 Sym Dimethylarginine NA 202.142975 RT 2.18 fragt 158.1287, 116.0706, 88.0869 Inhouse_PFEM NA NA +LABER054 Sym Dimethylarginine NA 202.142975 RT 2.18 fragt 158.1287, 116.0706, 88.0869 Inhousejuil11 NA NA +MJ007227 NG,N'G-Dimethylarginine C8H18N4O2 202.142975 NA MeJP NA NA +MJ007228 NG,NG-Dimethylarginine C8H18N4O2 202.142975 NA MeJP NA NA +LABER054 Sym Dimethylarginine NA 202.142975 RT 2.18 fragt 158.1287, 116.0706, 88.0869 PFEM_hmdb_metabocards_blood NA blood +LABER054 Sym Dimethylarginine NA 202.142975 RT 2.18 fragt 158.1287, 116.0706, 88.0869 PFEM_hmdb_metabocards_official NA NA +MetaCyc01862 NG,NG-dimethyl-L-arginine [] C8H18N4O2 202.142976 102783-24-4 metacyc NA NA +HMDB01539 Dimethyl-L-arginine C8H18N4O2 202.14298 NA ;SYN:Guanidino-N(1),N(2)-dimethylarginine; N(G1),N(G2)-Dimethylarginine; N,n'-dimethylarginine; N5-((methylamino)(methylimino)methyl)-L-Ornithine; N5-(N,N'-dimethylamidino)-L-Ornithine; N5-[bis(methylamino)methylene]-L-Ornithine; NG,N'G-Dimethyl-L-arginine; NG,N'G-dimethylarginine; NG,NG'-dimethylarginineH2Blood; Urine Inhouse_peptide NA peptide +HMDB03334 Symmetric dimethylarginine C8H18N4O2 202.14298 NA ;SYN:3,3'-Diselenobisalanine; 3,3'-Diselenodialanine; D,L-Selenocystine; DL-Selenocystine; Selenium cystine; Seleno-DL-cystineH2Blood Inhouse_peptide NA peptide +C01404 Arg-OEt C8H18N4O2 202.143 NA KEGG NA NA +C03626 Nomega,Nomega'-Dimethyl-L-arginine C8H18N4O2 202.143 NA KEGG NA NA +C03627 Neutral glycosphingolipid C8H18N4O2 202.143 NA KEGG NA NA +MJ007229 Dicarbine C13H18N2 202.146998 NA MeJP NA NA +MJ007230 N,N-Dimethyltryptamine; Nb-Me C13H19N2(+) 202.146998 NA MeJP NA NA +MJ007231 3-Hydroxy-2-methylpentanoic acid, 1-Ethylpropyl ester C11H22O3 202.156894 NA MeJP NA NA +MJ007232 3-Hydroxyundecanoic acid C11H22O3 202.156894 NA MeJP NA NA +MJ007233 1(10),4-Aromadendradiene C15H22 202.17215 NA MeJP NA NA +MJ007234 1(10),6,11-Spirovetivatriene C15H22 202.17215 NA MeJP NA NA +MJ007235 1(10),8-Aristoladiene C15H22 202.17215 NA MeJP NA NA +MJ007236 1,3,5,10-Bisabolatetraene C15H22 202.17215 NA MeJP NA NA +MJ007237 1,3,5,11-Bisabolatetraene C15H22 202.17215 NA MeJP NA NA +MJ007238 1,3,5,8,10-Farnesapentaene C15H22 202.17215 NA MeJP NA NA +MJ007239 1,3,5-Herbertatriene C15H22 202.17215 NA MeJP NA NA +MJ007240 1,3,5-Himachalatriene C15H22 202.17215 NA MeJP NA NA +MJ007241 1,3,7(11),8-Elematetraene C15H22 202.17215 NA MeJP NA NA +MJ007242 1,3-Maaliadiene C15H22 202.17215 NA MeJP NA NA +MJ007243 1,4(15),11-Eudesmatriene C15H22 202.17215 NA MeJP NA NA +MJ007244 1,4,9-Cadinatriene C15H22 202.17215 NA MeJP NA NA +MJ007245 1,5-Africanadiene C15H22 202.17215 NA MeJP NA NA +MJ007246 1,7(11),10(14)-Spirovetivatriene C15H22 202.17215 NA MeJP NA NA +MJ007247 1,7(11),9-Eremophilatriene C15H22 202.17215 NA MeJP NA NA +MJ007248 1,9,11-Eremophilatriene C15H22 202.17215 NA MeJP NA NA +MJ007249 1,9-Aristoladiene C15H22 202.17215 NA MeJP NA NA +MJ007250 2,4(15)-Copadiene C15H22 202.17215 NA MeJP NA NA +MJ007251 2,4,11-Eudesmatriene C15H22 202.17215 NA MeJP NA NA +MJ007252 2,4,8-Pentadecatrien-6-yne C15H22 202.17215 NA MeJP NA NA +MJ007253 2,4,9-Pentadecatrien-6-yne C15H22 202.17215 NA MeJP NA NA +MJ007254 2,4-Patchouladiene C15H22 202.17215 NA MeJP NA NA +MJ007255 3(15),4-Gymnomitradiene C15H22 202.17215 NA MeJP NA NA +MJ007256 3(15),4-Thujopsadiene C15H22 202.17215 NA MeJP NA NA +MJ007257 3,10(14)-Aromadendradiene C15H22 202.17215 NA MeJP NA NA +MJ007258 3,5,11-Eudesmatriene C15H22 202.17215 NA MeJP NA NA +MJ007259 3,6,9-Pentadecatrien-1-yne C15H22 202.17215 NA MeJP NA NA +MJ007260 3,7,11-Acoratriene C15H22 202.17215 NA MeJP NA NA +MJ007261 4(15),5,11-Cadinatriene C15H22 202.17215 NA MeJP NA NA +MJ007262 4(15),7(11),8-Eudesmatriene C15H22 202.17215 NA MeJP NA NA +MJ007263 5),3-Aromadendradiene C15H22 202.17215 NA MeJP NA NA +MJ007264 5,7(14)-Silphiperfoladiene C15H22 202.17215 NA MeJP NA NA +MJ007265 6,9,11-Eremophilatriene C15H22 202.17215 NA MeJP NA NA +MJ007266 7,9,11-Nardosinatriene C15H22 202.17215 NA MeJP NA NA +MJ007267 Anastreptene C15H22 202.17215 NA MeJP NA NA +MJ007268 Calamenene C15H22 202.17215 NA MeJP NA NA +MJ007269 Cuparene C15H22 202.17215 NA MeJP NA NA +MJ007270 Laurene; 7,8-Dihydro C15H22 202.17215 NA MeJP NA NA +MJ007271 Laurene; 8,11-Dihydro C15H22 202.17215 NA MeJP NA NA +MJ007272 Olivacene C15H22 202.17215 NA MeJP NA NA +MJ007273 Saccogynol; 3-Deoxy C15H22 202.17215 NA MeJP NA NA +C09649 alpha-Curcumene C15H22 202.1722 NA KEGG NA NA +MJ007274 1,12-Dodecanediol C12H26O2 202.19328 NA MeJP NA NA +MJ007275 5-Isopropyl-3-nonene-2,8-diol, 3,4-Dihydro C12H26O2 202.19328 NA MeJP NA NA +CJpos0530 Spermine [(M+H)]+ C10H27N4 202.215175 C18rt(min)=0.69 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0530 Spermine [(M+H)]+ C10H27N4 202.215175 C18rt(min)=0.69 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C00750 Spermine C10H26N4 202.2157 NA KEGG NA NA +HMDB01256 Spermine C10H26N4 202.21574 http://www.hmdb.ca/metabolites/HMDB01256 PFEM_hmdb_metabocards_urine NA urine +HMDB01256 Spermine C10H26N4 202.21574 http://www.hmdb.ca/metabolites/HMDB01256 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01256 Spermine C10H26N4 202.21574 http://www.hmdb.ca/metabolites/HMDB01256 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01256 Spermine C10H26N4 202.21574 http://www.hmdb.ca/metabolites/HMDB01256 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01256 Spermine C10H26N4 202.21574 http://www.hmdb.ca/metabolites/HMDB01256 HMDB NA NA +HMDB01256 Spermine C10H26N4 202.21574 http://www.hmdb.ca/metabolites/HMDB01256 PFEM_hmdb_metabocards_blood NA blood +HMDB01256 Spermine C10H26N4 202.21574 HMDB01256 PFEM_hmdb_metabocards_official NA NA +LABER039 Spermine NA 202.215744 RT 1.52 fragt PFEM_hmdb_metabocards_urine NA urine +LABER039 Spermine NA 202.215744 RT 1.52 fragt BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER039 Spermine NA 202.215744 RT 1.52 fragt Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER039 Spermine NA 202.215744 RT 1.52 fragt banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER039 Spermine NA 202.215744 RT 1.52 fragt HMDB NA NA +HMDB01256 Spermine C10H26N4 202.215744 NA HMDB2010 NA NA +LABER039 Spermine NA 202.215744 RT 1.52 fragt Inhouse_PFEM NA NA +LABER039 Spermine NA 202.215744 RT 1.52 fragt Inhousejuil11 NA NA +LABER039 Spermine NA 202.215744 RT 1.52 fragt PFEM_hmdb_metabocards_blood NA blood +LABER039 Spermine NA 202.215744 RT 1.52 fragt PFEM_hmdb_metabocards_official NA NA +MJ007276 Spermine C10H26N4 202.215746 NA MeJP NA NA +MJ007277 Thermospermine C10H26N4 202.215746 NA MeJP NA NA +MJ007278 Spermine C10H26N4 202.215746 NA MeJP NA NA +MetaCyc01863 spermine [gerontine;musculamine;neuridine;diaminopropyl-tetramethylenediamine;] C10H26N4 202.215747 71-44-3 metacyc NA NA +C07510 Hexamethonium C12H30N2 202.2409 NA KEGG NA NA +3351 Stimulating vasoactive substance release EEE 202.563 MH2+ Inhouse_peptide NA peptide +8225 antioxidative peptide SWN 202.57695 MH2+ Inhouse_peptide NA peptide +3301 NA HLH 202.6 MH2+ Inhouse_peptide NA peptide +3302 NA LHH 202.6 MH2+ Inhouse_peptide NA peptide +7478 ACE inhibitor HHL 202.6 MH2+ Inhouse_peptide NA peptide +7909 synthetic peptide IHH 202.6 MH2+ Inhouse_peptide NA peptide +7984 synthetic peptide HIH 202.6 MH2+ Inhouse_peptide NA peptide +MJ007279 4-Bromo-1H-pyrrole-2-carboxylic acid; Me ester C6H6BrNO2 202.958191 NA MeJP NA NA +MJ007280 2-Amino-5-bromo-4-hydroxy-6-methylpyrimidine C5H6BrN3O 202.969424 NA MeJP NA NA +MJ007281 Tris(2-chloroethyl)amine C6H12Cl3N 203.003532 NA MeJP NA NA +MetaCyc01864 (E)-4-oxobut-1-ene-1,2,4-tricarboxylate [] C7H7O7 203.019178 NA metacyc NA NA +JH065 Phenylalanine [M+K]+ NA 203.0229 1.66 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH065 Phenylalanine [M+K]+ NA 203.0229 1.66 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH065 Phenylalanine [M+K]+ NA 203.0229 1.66 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH065 Phenylalanine [M+K]+ NA 203.0229 1.66 Inhousejuil11 NA NA +HMDB02015 Cystathionine ketimine C7H9NO4S 203.02522 http://www.hmdb.ca/metabolites/HMDB02015 PFEM_hmdb_metabocards_urine NA urine +HMDB02015 Cystathionine ketimine C7H9NO4S 203.02522 http://www.hmdb.ca/metabolites/HMDB02015 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02015 Cystathionine ketimine C7H9NO4S 203.02522 http://www.hmdb.ca/metabolites/HMDB02015 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02015 Cystathionine ketimine C7H9NO4S 203.02522 http://www.hmdb.ca/metabolites/HMDB02015 HMDB NA NA +HMDB02015 Cystathionine ketimine C7H9NO4S 203.02522 HMDB02015 PFEM_hmdb_metabocards_official NA NA +HMDB02015 Cystathionine ketimine C7H9NO4S 203.025223 NA HMDB2010 NA NA +MJ007282 4-Amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid C7H9NO4S 203.025228 NA MeJP NA NA +MJ007283 1-(1-Hydroxyethyl)-4-isocyano-4-cyclopentene-1,2,3-triol; 3-Deoxy, 3-chloro C8H10ClNO3 203.03492 NA MeJP NA NA +MJ007284 2-(Hydroxymethyl)-3-(acetamidomethylene)succinate C7H9NO6 203.042987 NA MeJP NA NA +MJ007285 2-(2,3-Dicarboxycyclopropyl)glycine C7H9NO6 203.042987 NA MeJP NA NA +MJ007286 Tasuldine C10H9N3S 203.051717 NA MeJP NA NA +C00331 Indolepyruvate C11H9NO3 203.0582 NA KEGG NA NA +C10127 Anibine C11H9NO3 203.0582 NA KEGG NA NA +MJ007287 3-(1H-Indol-3-yl)-2-propenoic acid, 7'-Hydroxy C11H9NO3 203.058243 NA MeJP NA NA +MJ007288 6,7-Methylenedioxyisoquinolone; N-Me C11H9NO3 203.058243 NA MeJP NA NA +MJ007289 8-Hydroxy-2-quinolinecarboxylic acid; Me ether C11H9NO3 203.058243 NA MeJP NA NA +MJ007290 Anibine C11H9NO3 203.058243 NA MeJP NA NA +MJ007291 ?-Oxo-1H-indole-3-propanoic acid C11H9NO3 203.058243 NA MeJP NA NA +MJ007292 Indolepyruvate C11H9NO3 203.058243 NA MeJP NA NA +MetaCyc01865 indole-3-pyruvate [indole-pyr;indolepyruvic acid;(indol-3-yl)pyruvate;indolepyruvate;3-(indol-3-yl)pyruvate;] C11H9N1O3 203.058243 35656-49-6 metacyc NA NA +MJ007293 N-(1H-Indole-3-carbonyl)urea C10H9N3O2 203.069476 NA MeJP NA NA +JH159 N-acetyl-D-glucosamine [M+H-H20]+ NA 203.07884 1.39 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH159 N-acetyl-D-glucosamine [M+H-H20]+ NA 203.07884 1.39 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH159 N-acetyl-D-glucosamine [M+H-H20]+ NA 203.07884 1.39 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH159 N-acetyl-D-glucosamine [M+H-H20]+ NA 203.07884 1.39 Inhousejuil11 NA NA +CJpos0531 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)]+ C8H14NO5 203.078875 C18rt(min)=5.1 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0532 N2-acetylaminoadipic acid [(M+H)]+ C8H14NO5 203.078875 C18rt(min)=4.05 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0533 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)]+ C8H14NO5 203.078875 C18rt(min)=4.55 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0531 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)]+ C8H14NO5 203.078875 C18rt(min)=5.1 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0532 N2-acetylaminoadipic acid [(M+H)]+ C8H14NO5 203.078875 C18rt(min)=4.05 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0533 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)]+ C8H14NO5 203.078875 C18rt(min)=4.55 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +2890 neuropeptide inhibitor GQ 203.079 NA Inhouse_peptide NA peptide +7610 ACE inhibitor GQ 203.079 antioxidative Inhouse_peptide NA peptide +7617 ACE inhibitor QG 203.079 antioxidative Inhouse_peptide NA peptide +MJ007294 1,2,7-Trihydroxy-3-(hydroxymethyl)-1H-pyrrolizidine, 1'-Carboxylic acid C8H13NO5 203.079372 NA MeJP NA NA +MJ007295 2,4-Dihydroxy-3,3,4-trimethyl-5-oxo-2-pyrrolidinecarboxylic acid C8H13NO5 203.079372 NA MeJP NA NA +MJ007296 Chitin C8H13NO5 203.079372 NA MeJP NA NA +MJ007297 Oryzacidin C8H13NO5 203.079372 NA MeJP NA NA +MetaCyc01866 N2-acetyl-α-aminoadipate [] C8H13N1O5 203.079373 NA metacyc NA NA +C12986 N2-Acetyl-L-aminoadipate C8H13NO5 203.0794 NA KEGG NA NA +7919 synthetic peptide NHH 203.07945 MH2+ Inhouse_peptide NA peptide +CJneg0357 N2-acetylaminoadipic acid [(M-H)]- C8H12NO5 203.079925 C18rt(min)=4.05 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0358 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)]- C8H12NO5 203.079925 C18rt(min)=4.55 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0359 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)]- C8H12NO5 203.079925 C18rt(min)=5.1 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0357 N2-acetylaminoadipic acid [(M-H)]- C8H12NO5 203.079925 C18rt(min)=4.05 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0358 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)]- C8H12NO5 203.079925 C18rt(min)=4.55 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0359 (ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)]- C8H12NO5 203.079925 C18rt(min)=5.1 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ007298 1-Isothiocyanato-7-(methylthio)heptane C9H17NS2 203.08024 NA MeJP NA NA +C15383 (5-Phenyl-1,2,4-triazol-3-yl)urea C9H9N5O 203.0807 NA KEGG NA NA +MJ007299 Adenallene C9H9N5O 203.080709 NA MeJP NA NA +MJ007300 Wye base C9H9N5O 203.080709 NA MeJP NA NA +C01365 X-Trp C11H11N2O2X 203.0821 NA KEGG NA NA +3200 chymotrypsin inhibitor PGAY 203.0865 MH2+ Inhouse_peptide NA peptide +8087 peptide derived from tuna cooking juice PAGY 203.0865 MH2+ Inhouse_peptide NA peptide +PJ000035 GQ C7H13N3O4 203.0906 NA PeJP NA NA +MJ007301 Antibiotic YN 0165JA C7H13N3O4 203.090605 NA MeJP NA NA +MJ007302 1-[4-(Trifluoromethyl)phenyl]-2-propylamine C10H12F3N 203.092184 NA MeJP NA NA +MJ007303 Norfenfluramine C10H12F3N 203.092184 NA MeJP NA NA +C10615 Shihunine C12H13NO2 203.0946 NA KEGG NA NA +C11284 Indolebutyric acid C12H13NO2 203.0946 NA KEGG NA NA +MJ007304 1,3-Dimethyl-3-phenyl-2,5-pyrrolidinedione C12H13NO2 203.094628 NA MeJP NA NA +MJ007305 1H-Indole-3-butanoic acid C12H13NO2 203.094628 NA MeJP NA NA +MJ007306 6,7-Dihydroxy-1-methylisoquinoline; Di-Me ether C12H13NO2 203.094628 NA MeJP NA NA +MJ007307 Norsecurinine C12H13NO2 203.094628 NA MeJP NA NA +MJ007308 Shihunine C12H13NO2 203.094628 NA MeJP NA NA +MJ007309 6,7-Dimethoxy-2-methylisoquinolinium(1+) C12H14NO2(+) 203.094628 NA MeJP NA NA +HMDB02096 3-Indolebutyric acid C12H13NO2 203.094635 NA HMDB2010 NA NA +HMDB02096 3-Indolebutyric acid C12H13NO2 203.09464 http://www.hmdb.ca/metabolites/HMDB02096 HMDB NA NA +HMDB02096 3-Indolebutyric acid C12H13NO2 203.09464 HMDB02096 PFEM_hmdb_metabocards_official NA NA +3168 dipeptidyl peptidase IV inhibitor PPPP 203.104 MH2+ Inhouse_peptide NA peptide +MJ007310 2-Amino-4-(4-hydroxybenzyl)-1-methyl-1H-imidazole C11H13N3O 203.105862 NA MeJP NA NA +MJ007311 3-(2-Aminoethyl)-1H-indole-5-carboxylic acid; Amide C11H13N3O 203.105862 NA MeJP NA NA +MJ007312 Ciamexon C11H13N3O 203.105862 NA MeJP NA NA +MJ007313 Feprosidnine C11H13N3O 203.105862 NA MeJP NA NA +MJ007314 Sumanirole C11H13N3O 203.105862 NA MeJP NA NA +MetaCyc01867 L-Tryptophanamide [] C11H13N3O1 203.105862 NA metacyc NA NA +HMDB13318 Tryptophanamide C11H13N3O 203.105865 NA HMDB2010 NA NA +C00977 L-Tryptophanamide C11H13N3O 203.1059 NA KEGG NA NA +7604 ACE inhibitor KG 203.115 antioxidative Inhouse_peptide NA peptide +7611 ACE inhibitor GK 203.115 antioxidative Inhouse_peptide NA peptide +CJpos0534 Acetylcarnitine (and isomer) [(M+H)]+ C9H18NO4 203.115175 C18rt(min)=1.05 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0535 Acetylcarnitine (and isomer) [(M+H)]+ C9H18NO4 203.115175 C18rt(min)=1.5 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0534 Acetylcarnitine (and isomer) [(M+H)]+ C9H18NO4 203.115175 C18rt(min)=1.05 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0535 Acetylcarnitine (and isomer) [(M+H)]+ C9H18NO4 203.115175 C18rt(min)=1.5 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +HMDB00201 L-Acetylcarnitine C9H17NO4 203.11575 http://www.hmdb.ca/metabolites/HMDB00201 PFEM_hmdb_metabocards_urine NA urine +HMDB00201 L-Acetylcarnitine C9H17NO4 203.11575 http://www.hmdb.ca/metabolites/HMDB00201 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00201 L-Acetylcarnitine C9H17NO4 203.11575 http://www.hmdb.ca/metabolites/HMDB00201 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00201 L-Acetylcarnitine C9H17NO4 203.11575 http://www.hmdb.ca/metabolites/HMDB00201 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00201 L-Acetylcarnitine C9H17NO4 203.11575 http://www.hmdb.ca/metabolites/HMDB00201 HMDB NA NA +HMDB00201 L-Acetylcarnitine C9H17NO4 203.11575 NA ;SYN:1-Amino-2-carboxybenzene; 2-Aminobenzoate; 2-Aminobenzoic acid; 2-Aminophenylacetate; 2-Aminophenylacetic acid; 2-Carboxyaniline; 2-amino-Benzoate; 2-amino-Benzoic acid; Anthranate; Anthranic acid; Anthranilate; Anthranilic acid; Carboxyaniline; H-2-Abz-OH; Kyselina anthranilova; Kyselina o-aminobenzoova; Ortho-amidobenzoate; Ortho-amidobenzoic acid; Ortho-aminobenzoate; Ortho-aminobenzoic acid; Vitamin L; Vitamin L1; anthranilic acid gr; o-Aminobenzoate; o-Aminobenzoic acid; o-Anthranilate; o-Anthranilic acid; o-Carboxyaniline; o-amino-Benzoate; o-amino-Benzoic acidH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00201 L-Acetylcarnitine C9H17NO4 203.11575 http://www.hmdb.ca/metabolites/HMDB00201 PFEM_hmdb_metabocards_blood NA blood +HMDB00201 L-Acetylcarnitine C9H17NO4 203.11575 HMDB00201 PFEM_hmdb_metabocards_official NA NA +LABER071 O-acetyl-carnitine NA 203.115753 NA PFEM_hmdb_metabocards_urine NA urine +LABER084 O-acetyl-carnitine NA 203.115753 RT 2.52 fragt PFEM_hmdb_metabocards_urine NA urine +LABER071 O-acetyl-carnitine NA 203.115753 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER084 O-acetyl-carnitine NA 203.115753 RT 2.52 fragt BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER071 O-acetyl-carnitine NA 203.115753 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER084 O-acetyl-carnitine NA 203.115753 RT 2.52 fragt Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER071 O-acetyl-carnitine NA 203.115753 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER084 O-acetyl-carnitine NA 203.115753 RT 2.52 fragt banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER071 O-acetyl-carnitine NA 203.115753 NA HMDB NA NA +LABER084 O-acetyl-carnitine NA 203.115753 RT 2.52 fragt HMDB NA NA +HMDB00201 L-Acetylcarnitine C9H17NO4 203.115753 NA HMDB2010 NA NA +LABER071 O-acetyl-carnitine NA 203.115753 NA Inhouse_PFEM NA NA +LABER084 O-acetyl-carnitine NA 203.115753 RT 2.52 fragt Inhouse_PFEM NA NA +LABER071 O-acetyl-carnitine NA 203.115753 NA Inhousejuil11 NA NA +LABER084 O-acetyl-carnitine NA 203.115753 RT 2.52 fragt Inhousejuil11 NA NA +LABER071 O-acetyl-carnitine NA 203.115753 NA PFEM_hmdb_metabocards_blood NA blood +LABER084 O-acetyl-carnitine NA 203.115753 RT 2.52 fragt PFEM_hmdb_metabocards_blood NA blood +LABER071 O-acetyl-carnitine NA 203.115753 NA PFEM_hmdb_metabocards_official NA NA +LABER084 O-acetyl-carnitine NA 203.115753 RT 2.52 fragt PFEM_hmdb_metabocards_official NA NA +MJ007315 1,2-Dihydroxy-3,5-bis(hydroxymethyl)-1H-pyrrolizidine C9H17NO4 203.115758 NA MeJP NA NA +MetaCyc01868 (-)O-acetylcarnitine [O-acetylcarnitine;] C9H17N1O4 203.115758 NA metacyc NA NA +MJ007316 Triacanthine C10H13N5 203.117095 NA MeJP NA NA +MJ007317 Zeatin, Deoxy C10H13N5 203.117095 NA MeJP NA NA +MetaCyc01869 N6-dimethylallyladenine [N(6)-dimethylallyladenine;] C10H13N5 203.117095 NA metacyc NA NA +C04083 N6-(delta2-Isopentenyl)-adenine C10H13N5 203.1171 NA KEGG NA NA +C08435 Triacanthine C10H13N5 203.1171 NA KEGG NA NA +CJpos0536 Heptylmalonic acid [(M+H)]+ (13C) C913CH19O4 203.123275 C18rt(min)=6.05 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0536 Heptylmalonic acid [(M+H)]+ (13C) C913CH19O4 203.123275 C18rt(min)=6.05 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJneg0360 Sebacic acid [M-H]- (13C) C9[13C]H17O4 203.124425 C18rt(min)=7.65 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0361 Heptylmalonic acid [(M-H)]- (13C) C913CH17O4 203.124425 C18rt(min)=6.05 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0360 Sebacic acid [M-H]- (13C) C9[13C]H17O4 203.124425 C18rt(min)=7.65 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0361 Heptylmalonic acid [(M-H)]- (13C) C913CH17O4 203.124425 C18rt(min)=6.05 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +PJ000036 GK C8H17N3O3 203.127 NA PeJP NA NA +MJ007318 2-Methyl-4-(3-indolyl)-1-butanol C13H17NO 203.131014 NA MeJP NA NA +MJ007319 2-Nonene-6,8-diynoic acid, 2-Methylpropylamide C13H17NO 203.131014 NA MeJP NA NA +MJ007320 6,7-Dihydro-1,3,6,6-tetramethyl-8(5H)-isoquinolinone C13H17NO 203.131014 NA MeJP NA NA +MJ007321 Crotamiton C13H17NO 203.131014 NA MeJP NA NA +C17253 9-Methylthiononanaldoxime C10H21NOS 203.1344 NA KEGG NA NA +MJ007322 N-(5-Amino-6,7-dihydroxyheptyl)ethanimidamide C9H21N3O2 203.163376 NA MeJP NA NA +MJ007323 1-Phenylcyclohexylamine; N-Et C14H21N 203.167399 NA MeJP NA NA +MJ007324 8-Methyl-5-(4-pentenyl)indolizidine; 2',3'Z,4',5'-Tetradehydro C14H21N 203.167399 NA MeJP NA NA +MJ007325 Dendrobates Alkaloid 203 C14H21N 203.167399 NA MeJP NA NA +C15125 N-(Cyclohexylmethyl)-N-methylbenzenamine C14H21N 203.1674 NA KEGG NA NA +CJpos0537 Spermine [(M+H)]+ (13C) C913CH27N4 203.218575 C18rt(min)=0.69 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0537 Spermine [(M+H)]+ (13C) C913CH27N4 203.218575 C18rt(min)=0.69 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +7906 synthetic peptide HDH 203.57145 MH2+ Inhouse_peptide NA peptide +7978 synthetic peptide DHH 203.57145 MH2+ Inhouse_peptide NA peptide +3557 ACE inhibitor FNQ 203.58445 MH2+ Inhouse_peptide NA peptide +3065 fragment of bovine beta-casein 191-193 LLY 203.6155 MH2+ Inhouse_peptide NA peptide +7657 ACE inhibitor from human plasma LIY 203.6155 MH2+ Inhouse_peptide NA peptide +MJ007326 1-Bromo-1,3-dichloro-2-propanone C3H3BrCl2O 203.874432 NA MeJP NA NA +MJ007327 3-Bromo-1,1-dichloro-2-propanone C3H3BrCl2O 203.874432 NA MeJP NA NA +MJ007328 2-Bromo-1,3,5-benzenetriol C6H5BrO3 203.942206 NA MeJP NA NA +MJ007329 2-Bromo-5,6-epoxy-4-hydroxy-2-cyclohexen-1-one C6H5BrO3 203.942206 NA MeJP NA NA +MJ007330 3,5-Dichloro-4-hydroxybenzaldehyde; Me ether C8H6Cl2O2 203.974484 NA MeJP NA NA +MJ007331 Hydroxymethoxybenzenesulfonic acid C7H8O5S 204.009244 NA MeJP NA NA +CJneg0362 Methoxysalicylic acid isomer [(M+Cl)]- C8H8ClO4 204.019525 C18rt(min)=6.9 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0362 Methoxysalicylic acid isomer [(M+Cl)]- C8H8ClO4 204.019525 C18rt(min)=6.9 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +C11164 CCCP C9H5ClN4 204.0203 NA KEGG NA NA +MJ007332 Aluminium acetate C6H9AlO6 204.021451 NA MeJP NA NA +C05533 Oxaloglutarate C7H8O7 204.027 NA KEGG NA NA +C05535 alpha-Aminoadipoyl-S-acyl enzyme C6H10NO3SR 204.027 NA KEGG NA NA +MJ007333 Oxaloglutarate C7H8O7 204.027002 NA MeJP NA NA +MJ007334 Daucic acid C7H8O7 204.027002 NA MeJP NA NA +MetaCyc01870 oxalo-glutarate [] C7H8O7 204.027003 NA metacyc NA NA +C14195 4-Chloro-4'-biphenylol C12H9ClO 204.0342 NA KEGG NA NA +C14755 2-Chloro-4-biphenylol C12H9ClO 204.0342 NA KEGG NA NA +C15202 2'-Chloro-4-biphenylol C12H9ClO 204.0342 NA KEGG NA NA +MJ007335 4-Hydroxy-2-mercapto-6-phenylpyrimidine C10H8N2OS 204.035733 NA MeJP NA NA +MJ007336 1,4-Dihydroxy-2-naphthoate C11H8O4 204.042258 NA MeJP NA NA +MJ007337 2,5-Dihydroxy-1,4-naphthoquinone; 2-Me ether C11H8O4 204.042258 NA MeJP NA NA +MJ007338 2,7-Dihydroxy-5-methyl-1,4-naphthoquinone C11H8O4 204.042258 NA MeJP NA NA +MJ007339 2,8-Dihydroxy-1,4-naphthoquinone; 2-Me ether C11H8O4 204.042258 NA MeJP NA NA +MJ007340 3,5-Dihydroxy-2-methyl-1,4-naphthoquinone C11H8O4 204.042258 NA MeJP NA NA +MJ007341 5,6-Dihydroxy-2-methyl-1,4-naphthoquinone C11H8O4 204.042258 NA MeJP NA NA +MJ007342 5,8-Dihydroxy-2-methyl-1,4-naphthoquinone C11H8O4 204.042258 NA MeJP NA NA +MJ007343 5-Hydroxy-2-methyl-1,4-naphthoquinone; 2?,3?-Epoxide C11H8O4 204.042258 NA MeJP NA NA +MJ007344 6,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one; Methylene ether C11H8O4 204.042258 NA MeJP NA NA +MJ007345 6-Acetyl-7-hydroxy-2H-1-benzopyran-2-one C11H8O4 204.042258 NA MeJP NA NA +MJ007346 7-Hydroxy-2-oxo-2H-1-benzopyran-6-carboxaldehyde; Me ether C11H8O4 204.042258 NA MeJP NA NA +MJ007347 7-Hydroxy-2H-1-benzopyran-2-one; Ac C11H8O4 204.042258 NA MeJP NA NA +MJ007348 Antibiotic LL-Z 1220 C11H8O4 204.042258 NA MeJP NA NA +MJ007349 Cerberinic acid; Me ester C11H8O4 204.042258 NA MeJP NA NA +MJ007350 Murrayacarpin A; 1'-Aldehyde C11H8O4 204.042258 NA MeJP NA NA +MetaCyc01871 1,4-dihydroxy-2-naphthoate [DHNA;] C11H8O4 204.042259 NA metacyc NA NA +C03657 1,4-Dihydroxy-2-naphthoate C11H8O4 204.0423 NA KEGG NA NA +C03658 1-Hydroxyalkyl-sn-glycerol C4H9O4R 204.0423 NA KEGG NA NA +C06986 Spirodilactone C11H8O4 204.0423 NA KEGG NA NA +C10335 Droserone C11H8O4 204.0423 NA KEGG NA NA +C14093 1,2-Dihydroxy-8-carboxynaphthalene C11H8O4 204.0423 NA KEGG NA NA +C17018 1,4-Dihydroxy-6-naphthoate C11H8O4 204.0423 NA KEGG NA NA +MJ007351 2,6-Dichloro-7-methyl-3-methylene-1,6-octadiene C10H14Cl2 204.047255 NA MeJP NA NA +HMDB06784 Lipoylprotein C8H14NOS2 204.05168 http://www.hmdb.ca/metabolites/HMDB06784 HMDB NA NA +HMDB06877 Lipoamide-E C8H14NOS2 204.05168 http://www.hmdb.ca/metabolites/HMDB06877 HMDB NA NA +HMDB06784 Lipoylprotein C8H14NOS2 204.05168 HMDB06784 PFEM_hmdb_metabocards_official NA NA +HMDB06877 Lipoamide-E C8H14NOS2 204.05168 HMDB06877 PFEM_hmdb_metabocards_official NA NA +MJ007352 Cistanin; 7-Deoxy, 7?-chloro C9H13ClO3 204.055321 NA MeJP NA NA +MJ007353 8-(2-Thienyl)-3,5-octadien-7-yn-1-ol C12H12OS 204.060885 NA MeJP NA NA +7615 ACE inhibitor GE 204.063 antioxidative Inhouse_peptide NA peptide +7622 ACE inhibitor EG 204.063 antioxidative Inhouse_peptide NA peptide +MJ007354 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one C8H12O6 204.063388 NA MeJP NA NA +MJ007355 Riburonic acid; ?-D-Furanose-form, 2,3-O-Isopropylidene C8H12O6 204.063388 NA MeJP NA NA +7606 ACE inhibitor DA 204.0639 antioxidative Inhouse_peptide NA peptide +MJ007356 Indeno[1,2,3-ij][2,7]naphthyridine C14H8N2 204.068748 NA MeJP NA NA +C07070 Levamisole C11H12N2S 204.0721 NA KEGG NA NA +MJ007357 Tetramisole C11H12N2S 204.072119 NA MeJP NA NA +PJ000037 GE C7H12N2O5 204.0746 NA PeJP NA NA +HMDB11162 L-beta-aspartyl-L-alanine C7H12N2O5 204.074615 NA HMDB2010 NA NA +HMDB11667 5-L-Glutamylglycine C7H12N2O5 204.074615 NA HMDB2010 NA NA +MJ007358 N?-Aspartylalanine; L-L-form C7H12N2O5 204.074621 NA MeJP NA NA +MJ007359 Trehalamine C7H12N2O5 204.074621 NA MeJP NA NA +MetaCyc01872 glycyl-L-glutamate [glycyl-L-glutamic acid;gly-glu;] C7H12N2O5 204.074622 7412-78-4 metacyc NA NA +C09921 3-Butylidene-7-hydroxyphthalide C12H12O3 204.0786 NA KEGG NA NA +MJ007360 2,2-Dimethyl-2H-1-benzopyran-6-carboxylic acid C12H12O3 204.078644 NA MeJP NA NA +MJ007361 2,3-Dihydro-1-methoxy-6-methyl-3-oxo-1H-indene-4-carboxaldehyde C12H12O3 204.078644 NA MeJP NA NA +MJ007362 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-5-benzofurancarboxaldehyde; 2,3-Didehydro C12H12O3 204.078644 NA MeJP NA NA +MJ007363 2,3-Dihydro-3-hydroxy-2-(1-methylethenyl)-5-benzofurancarboxaldehyde C12H12O3 204.078644 NA MeJP NA NA +MJ007364 2,8-Decadiene-4,6-diyne-1,10-diol, Ac C12H12O3 204.078644 NA MeJP NA NA +MJ007365 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-carboxaldehyde C12H12O3 204.078644 NA MeJP NA NA +MJ007366 3,4-Dihydro-4-hydroxy-2-naphthalenecarboxylic acid, Me ether C12H12O3 204.078644 NA MeJP NA NA +MJ007367 3-Butylidene-1(3H)-isobenzofuranone, 9-Hydroxy C12H12O3 204.078644 NA MeJP NA NA +MJ007368 3-Butylidene-1(3H)-isobenzofuranone, 5-Hydroxy C12H12O3 204.078644 NA MeJP NA NA +MJ007369 3-Butylidene-1(3H)-isobenzofuranone, 7-Hydroxy C12H12O3 204.078644 NA MeJP NA NA +MJ007370 3-Butylidene-1(3H)-isobenzofuranone, 9-Hydroxy C12H12O3 204.078644 NA MeJP NA NA +MJ007371 4,6-Dihydroxy-5-vinylbenzofuran; Di-Me ether C12H12O3 204.078644 NA MeJP NA NA +MJ007372 4-Hydroxy-3,5-dimethyl-2H-1-benzopyran-2-one; Me ether C12H12O3 204.078644 NA MeJP NA NA +MJ007373 4-Hydroxy-5,6-dodecadiene-8,10-diynoic acid C12H12O3 204.078644 NA MeJP NA NA +MJ007374 4-Hydroxy-5,6-undecadiene-8,10-diynoic acid, Me ester C12H12O3 204.078644 NA MeJP NA NA +MJ007375 6-Methyl-1,2,8-naphthalenetriol; 1-Me ether C12H12O3 204.078644 NA MeJP NA NA +MJ007376 6-Methyl-3-benzofuranmethanol; Ac C12H12O3 204.078644 NA MeJP NA NA +MJ007377 Fomannoxin, 4''-Carboxylic acid C12H12O3 204.078644 NA MeJP NA NA +MJ007378 Frustulosin; 1'-Alcohol C12H12O3 204.078644 NA MeJP NA NA +MJ007379 Ligustilide; 4,5-Didehydro, 7-hydroxy C12H12O3 204.078644 NA MeJP NA NA +C17224 2-Oxo-8-methylthiooctanoic acid C9H16O3S 204.082 NA KEGG NA NA +2736 regulating phosphoinositole mechanism peptide GFW 204.084 MH2+ Inhouse_peptide NA peptide +PFEM082F1 tryptophan F1 204.0854 NA Inhouse_original NA NA +MJ007380 3,6-Bis[(aminooxy)methyl]-2,5-piperazinedione C6H12N4O4 204.085854 NA MeJP NA NA +JH137 Tryptophan [M+H]+ C11H12N2O2 204.0893 7.04 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH137 Tryptophan [M+H]+ C11H12N2O2 204.0893 7.04 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH137 Tryptophan [M+H]+ C11H12N2O2 204.0893 7.04 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH137 Tryptophan [M+H]+ C11H12N2O2 204.0893 7.04 Inhousejuil11 NA NA +CJpos0538 Tryptophan isomer [(M+H)]+ C11H13N2O2 204.089375 C18rt(min)=5.26 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0538 Tryptophan isomer [(M+H)]+ C11H13N2O2 204.089375 C18rt(min)=5.26 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +HMDB00929 L-Tryptophan C11H12N2O2 204.08987 http://www.hmdb.ca/metabolites/HMDB00929 PFEM_hmdb_metabocards_urine NA urine +HMDB00929 L-Tryptophan C11H12N2O2 204.08987 http://www.hmdb.ca/metabolites/HMDB00929 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00929 L-Tryptophan C11H12N2O2 204.08987 http://www.hmdb.ca/metabolites/HMDB00929 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00929 L-Tryptophan C11H12N2O2 204.08987 http://www.hmdb.ca/metabolites/HMDB00929 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00929 L-Tryptophan C11H12N2O2 204.08987 http://www.hmdb.ca/metabolites/HMDB00929 HMDB NA NA +HMDB00929 L-Tryptophan C11H12N2O2 204.08987 Short chain acyl carnitines ;SYN:Tiglyl-l-carnitineH2Blood; Urine Inhouse_peptide NA peptide +HMDB00929 L-Tryptophan C11H12N2O2 204.08987 http://www.hmdb.ca/metabolites/HMDB00929 PFEM_hmdb_metabocards_blood NA blood +HMDB00929 L-Tryptophan C11H12N2O2 204.08987 HMDB00929 PFEM_hmdb_metabocards_official NA NA +HMDB00929 L-Tryptophan C11H12N2O2 204.089874 NA HMDB2010 NA NA +MJ007381 L-Tryptophan C11H12N2O2 204.089877 NA MeJP NA NA +MJ007382 Tryptophan C11H12N2O2 204.089877 NA MeJP NA NA +MJ007383 2-(3-Hydroxypropyl)-4(3H)-quinazolinone C11H12N2O2 204.089877 NA MeJP NA NA +MJ007384 2-(Dimethylamino)-5-phenyl-4(5H)-oxazolone C11H12N2O2 204.089877 NA MeJP NA NA +MJ007385 2-(Ethylamino)-5-phenyl-4(5H)-oxazolone C11H12N2O2 204.089877 NA MeJP NA NA +MJ007386 3-Ethyl-5-phenyl-2,4-imidazolidinedione C11H12N2O2 204.089877 NA MeJP NA NA +MJ007387 3-Methyl-6-phenyl-2,5-piperazinedione C11H12N2O2 204.089877 NA MeJP NA NA +MJ007388 4-Amino-6,7-dimethoxyquinoline C11H12N2O2 204.089877 NA MeJP NA NA +MJ007389 5-Ethyl-5-phenyl-2,4-imidazolinedione C11H12N2O2 204.089877 NA MeJP NA NA +MJ007390 Cytisine, 11-Oxo C11H12N2O2 204.089877 NA MeJP NA NA +MJ007391 Idazoxan C11H12N2O2 204.089877 NA MeJP NA NA +MJ007392 Ledazerol C11H12N2O2 204.089877 NA MeJP NA NA +MJ007393 Metazamide C11H12N2O2 204.089877 NA MeJP NA NA +MJ007394 Peganine, N4-Oxide C11H12N2O2 204.089877 NA MeJP NA NA +MJ007395 Tryptophan C11H12N2O2 204.089877 NA MeJP NA NA +MJ007396 Vasicinol C11H12N2O2 204.089877 NA MeJP NA NA +MetaCyc01873 D-tryptophan [] C11H12N2O2 204.089878 153-94-6 metacyc NA NA +MetaCyc01874 L-tryptophan [W;tryptacin;trofan;trp;tryptophan;2-amino-3-indolylpropanic acid;] C11H12N2O2 204.089878 73-22-3 metacyc NA NA +LABER004 Tryptophan NA 204.0899 RT 13.07 fragt 205, 146, 91, 115, 118 PFEM_hmdb_metabocards_urine NA urine +EUR038 tryptophan C11H12N2O2 204.0899 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR631 Tryptophan [M+H]+ 204.0899 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER004 Tryptophan NA 204.0899 RT 13.07 fragt 205, 146, 91, 115, 118 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR038 tryptophan C11H12N2O2 204.0899 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR631 Tryptophan [M+H]+ 204.0899 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER004 Tryptophan NA 204.0899 RT 13.07 fragt 205, 146, 91, 115, 118 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR038 tryptophan C11H12N2O2 204.0899 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR631 Tryptophan [M+H]+ 204.0899 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER004 Tryptophan NA 204.0899 RT 13.07 fragt 205, 146, 91, 115, 118 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER004 Tryptophan NA 204.0899 RT 13.07 fragt 205, 146, 91, 115, 118 HMDB NA NA +LABER004 Tryptophan NA 204.0899 RT 13.07 fragt 205, 146, 91, 115, 118 Inhouse_PFEM NA NA +EUR038 tryptophan C11H12N2O2 204.0899 Wishlist Inhousejuil11 NA NA +EUR631 Tryptophan [M+H]+ 204.0899 identifies dans standard mixture NuGO Inhousejuil11 NA NA +LABER004 Tryptophan NA 204.0899 RT 13.07 fragt 205, 146, 91, 115, 118 Inhousejuil11 NA NA +C00078 L-Tryptophan C11H12N2O2 204.0899 NA KEGG NA NA +C00525 D-Tryptophan C11H12N2O2 204.0899 NA KEGG NA NA +C00806 Tryptophan C11H12N2O2 204.0899 NA KEGG NA NA +C00807 Xyloglucan C11H12N2O2 204.0899 NA KEGG NA NA +C07839 Ethotoin C11H12N2O2 204.0899 NA KEGG NA NA +C10743 Vasicinol C11H12N2O2 204.0899 NA KEGG NA NA +C10968 Idazoxan C11H12N2O2 204.0899 NA KEGG NA NA +C14916 Nirvanol C11H12N2O2 204.0899 NA KEGG NA NA +PJ000038 W C11H12N2O2 204.0899 NA PeJP NA NA +LABER004 Tryptophan NA 204.0899 RT 13.07 fragt 205, 146, 91, 115, 118 PFEM_hmdb_metabocards_blood NA blood +LABER004 Tryptophan NA 204.0899 RT 13.07 fragt 205, 146, 91, 115, 118 PFEM_hmdb_metabocards_official NA NA +EUR560 Tryptophan [M+H]+ 204.090175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR560 Tryptophan [M+H]+ 204.090175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR560 Tryptophan [M+H]+ 204.090175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR560 Tryptophan [M+H]+ 204.090175 identifies dans serum NuGO Inhousejuil11 NA NA +CJneg0363 Tryptophan isomer [(M-H)]- C11H11N2O2 204.090425 C18rt(min)=5.26 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0363 Tryptophan isomer [(M-H)]- C11H11N2O2 204.090425 C18rt(min)=5.26 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +EUR360 Tryptophan F1 C11H12N2O2 204.092275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR360 Tryptophan F1 NA 204.092275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR360 Tryptophan F1 C11H12N2O2 204.092275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR360 Tryptophan F1 NA 204.092275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR360 Tryptophan F1 C11H12N2O2 204.092275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR360 Tryptophan F1 NA 204.092275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR360 Tryptophan F1 C11H12N2O2 204.092275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR360 Tryptophan F1 C11H12N2O2 204.092275 standards wishlist analysés sur QTOF HMDB NA NA +EUR360 Tryptophan F1 C11H12N2O2 204.092275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR360 Tryptophane C11H12N2O2 204.092275 205.099475 Inhouse_sept12 NA NA +EUR360 Tryptophan F1 NA 204.092275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR360 Tryptophan F1 C11H12N2O2 204.092275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR360 Tryptophan F1 C11H12N2O2 204.092275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ007397 2-(2,4-Hexadiynyl)naphthalene C16H12 204.0939 NA MeJP NA NA +C06385 Dimethylenetriurea C5H12N6O3 204.0971 NA KEGG NA NA +MJ007398 2,6-Dideoxy-3-C-methyl-arabino-hexose, 4-Ac C9H16O5 204.099773 NA MeJP NA NA +MJ007399 2,6-Dideoxy-3-C-methyl-ribo-hexose, 4-Ac C9H16O5 204.099773 NA MeJP NA NA +MJ007400 4-C-Acetyl-2,6-dideoxy-xylo-hexose; ?-L-Pyranose-form, Me glycoside C9H16O5 204.099773 NA MeJP NA NA +MJ007401 4-C-Acetyl-2,6-dideoxy-xylo-hexose; ?-L-Pyranose-form, Me glycoside C9H16O5 204.099773 NA MeJP NA NA +MJ007402 5-Deoxy-3-C-hydroxymethyllyxose; ?-L-Furanose-form, 1,2-O-Isopropylidene C9H16O5 204.099773 NA MeJP NA NA +C04586 Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate C9H16O5 204.0998 NA KEGG NA NA +C04587 Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate C9H16O5 204.0998 NA KEGG NA NA +MJ007403 Solsodomine A C10H12N4O 204.101111 NA MeJP NA NA +8033 synthetic peptide PHR 204.1055 MH2+ Inhouse_peptide NA peptide +C03955 N6-Acetyl-N6-hydroxy-L-lysine C8H16N2O4 204.111 NA KEGG NA NA +C03956 Oligoglycosylglucosylceramide C19H35NO3R 204.111 NA KEGG NA NA +C03957 Peptide 3-hydroxy-L-aspartate C5H6N2O5R2 204.111 NA KEGG NA NA +C04210 N5-(L-1-Carboxyethyl)-L-ornithine C8H16N2O4 204.111 NA KEGG NA NA +PJ000039 SV C8H16N2O4 204.111 NA PeJP NA NA +MJ007404 N6-Acetyl-N6-hydroxy-L-lysine C8H16N2O4 204.111007 NA MeJP NA NA +MJ007405 2,4-Diamino-2,4,6-trideoxygalactose, N2-Ac C8H16N2O4 204.111007 NA MeJP NA NA +MJ007406 2,4-Diamino-2,4,6-trideoxyglucose, 4-N-Ac C8H16N2O4 204.111007 NA MeJP NA NA +MJ007407 2,6-Diamino-5-hydroxyhexanoic acid, N6-Ac C8H16N2O4 204.111007 NA MeJP NA NA +MJ007408 3-Methyl-2,4-pentanediol; Dicarbamate C8H16N2O4 204.111007 NA MeJP NA NA +MJ007409 Lysine, N6-Carboxymethyl C8H16N2O4 204.111007 NA MeJP NA NA +MetaCyc01875 N6-acetyl-N6-hydroxy-L-lysine [N6-acetyl-N6-hydroxylysine;] C8H16N2O4 204.111007 NA metacyc NA NA +MetaCyc01876 N5-(L-1-Carboxyethyl)-L-ornithine [] C8H16N2O4 204.111007 NA metacyc NA NA +2830 PEP inhibitor PPPV 204.112 MH2+ Inhouse_peptide NA peptide +C07642 Triethylenemelamine C9H12N6 204.1123 NA KEGG NA NA +MJ007410 2,4,6-Tri-1-aziridinyl-1,3,5-triazine C9H12N6 204.112344 NA MeJP NA NA +C10702 4'-Hydroxy-3'-prenylacetophenone C13H16O2 204.115 NA KEGG NA NA +C16694 Plastoquinone-1 C13H16O2 204.115 NA KEGG NA NA +MJ007411 1-(5,6-Dihydro-2H-pyran-3-yl)-2-phenylethanol C13H16O2 204.115029 NA MeJP NA NA +MJ007412 1-Phenyl-1,5-heptanedione C13H16O2 204.115029 NA MeJP NA NA +MJ007413 2,2-Dimethyl-2H-1-benzopyran-6-ethanol C13H16O2 204.115029 NA MeJP NA NA +MJ007414 3-Hexen-1-ol, Benzoyl C13H16O2 204.115029 NA MeJP NA NA +MJ007415 3-Phenyl-2-propen-1-ol, Butanoyl C13H16O2 204.115029 NA MeJP NA NA +MJ007416 3a,4-Dihydro-3-(3-methylbutylidene)-1(3H)-isobenzofuranone C13H16O2 204.115029 NA MeJP NA NA +MJ007417 4-(2,4-Hexadienyl)-3-(1-propenyl)-2(5H)-furanone C13H16O2 204.115029 NA MeJP NA NA +MJ007418 4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone C13H16O2 204.115029 NA MeJP NA NA +MJ007419 5,11-Tridecadiene-7,9-diyne-3,4-diol C13H16O2 204.115029 NA MeJP NA NA +MJ007420 6-Acetyl-2,2-dimethyl-2H-1-benzopyran; 1'-Alcohol C13H16O2 204.115029 NA MeJP NA NA +MJ007421 6-Acetyl-2,2-dimethyl-2H-1-benzopyran; 3,4-Dihydro C13H16O2 204.115029 NA MeJP NA NA +MJ007422 Moskachan B; 5'-Deoxo, 5',6'-didehydro C13H16O2 204.115029 NA MeJP NA NA +MJ007423 Myrochromanol C13H16O2 204.115029 NA MeJP NA NA +MJ007424 Ternin C13H16O2 204.115029 NA MeJP NA NA +EUR406 Retinoic acid F4 F4 204.115075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR406 Acide retinoique F4 NA 204.115075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR406 Retinoic acid F4 F4 204.115075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR406 Acide retinoique F4 NA 204.115075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR406 Retinoic acid F4 F4 204.115075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR406 Acide retinoique F4 NA 204.115075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR406 Retinoic acid F4 F4 204.115075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR406 Retinoic acid F4 F4 204.115075 standards wishlist analysés sur QTOF HMDB NA NA +EUR406 Retinoic acid F4 F4 204.115075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR406 Acide retinoique F4 NA 204.115075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR406 Retinoic acid F4 F4 204.115075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR406 Retinoic acid F4 F4 204.115075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0539 Acetylcarnitine (and isomer) [(M+H)]+ (13C) C813CH18NO4 204.118575 C18rt(min)=1.05 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0539 Acetylcarnitine (and isomer) [(M+H)]+ (13C) C813CH18NO4 204.118575 C18rt(min)=1.05 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +C08286 (+)-gamma-Hydroxy-L-homoarginine C7H16N4O3 204.1222 NA KEGG NA NA +MJ007425 ?-Hydroxyhomoarginine C7H16N4O3 204.12224 NA MeJP NA NA +MJ007426 O-Acetylcarnitine C9H18NO4 204.123583 NA MeJP NA NA +C02571 O-Acetylcarnitine C9H18NO4 204.1236 NA KEGG NA NA +MJ007427 3-(2-Dimethylaminoethyl)-4-hydroxyindole C12H16N2O 204.126263 NA MeJP NA NA +MJ007428 3-(Dimethylaminomethyl)-5-hydroxyindole; Me ether C12H16N2O 204.126263 NA MeJP NA NA +MJ007429 5-Methoxytryptamine; Nb-Me C12H16N2O 204.126263 NA MeJP NA NA +MJ007430 7-Methoxygramine C12H16N2O 204.126263 NA MeJP NA NA +MJ007431 Bufotenine C12H16N2O 204.126263 NA MeJP NA NA +MJ007432 Cytisine, N-Me C12H16N2O 204.126263 NA MeJP NA NA +MJ007433 N,N-Dimethyltryptamine; Nb-Oxide C12H16N2O 204.126263 NA MeJP NA NA +MJ007434 Nebracetam C12H16N2O 204.126263 NA MeJP NA NA +MetaCyc01877 bufotenine [dimethylserotonin;mappine;5-HydroxyN,N-dimethyltryptamine;N,N-dimethyl-5-hydroxytryptamine;mappin;bufotenin;] C12H16N2O1 204.126263 487-93-4 metacyc NA NA +C08299 Bufotenine C12H16N2O 204.1263 NA KEGG NA NA +C08312 Psilocin C12H16N2O 204.1263 NA KEGG NA NA +C10760 Caulophylline C12H16N2O 204.1263 NA KEGG NA NA +MJ007435 3,7-Dimethyl-3-octene-1,2,6,7-tetrol C10H20O4 204.136159 NA MeJP NA NA +MJ007436 3,7-Dimethyl-6-octene-1,2,3,8-tetrol C10H20O4 204.136159 NA MeJP NA NA +MJ007437 5-Butyl-1,2,3,5-cyclohexanetetrol C10H20O4 204.136159 NA MeJP NA NA +MJ007438 7-Methyl-3-methylene-1,2,6,7-octanetetrol C10H20O4 204.136159 NA MeJP NA NA +MJ007439 p-Menthane-1,2,3,4-tetrol C10H20O4 204.136159 NA MeJP NA NA +MJ007440 p-Menthane-1,2,8,9-tetrol C10H20O4 204.136159 NA MeJP NA NA +MJ007441 2,6-Diamino-5-hydroxyhexanoic acid, N6-Tri-Me, betaine C9H20N2O3 204.147392 NA MeJP NA NA +MJ007442 12-Nor-5-zizaen-2-one C14H20O 204.151415 NA MeJP NA NA +MJ007443 12-Nor-6(13)-zizaen-2-one C14H20O 204.151415 NA MeJP NA NA +MJ007444 13-Tetradecene-2,4-diyn-1-ol C14H20O 204.151415 NA MeJP NA NA +MJ007445 4-Octylphenol; 3',4'-Didehydro(E-) C14H20O 204.151415 NA MeJP NA NA +MJ007446 4-Octylphenol; 4',5'-Didehydro(E-) C14H20O 204.151415 NA MeJP NA NA +MJ007447 5,6,7,8-Tetrahydro-5-isopropyl-3-methyl-2-naphthol C14H20O 204.151415 NA MeJP NA NA +MJ007448 6,7-Epoxy-1,3-tetradecadiyne C14H20O 204.151415 NA MeJP NA NA +MJ007449 Bornelone C14H20O 204.151415 NA MeJP NA NA +MJ007450 Chamaecynenol C14H20O 204.151415 NA MeJP NA NA +MJ007451 Cyclomenol C14H20O 204.151415 NA MeJP NA NA +MJ007452 Khusitene, 11-Oxo C14H20O 204.151415 NA MeJP NA NA +MJ007453 Mayurone C14H20O 204.151415 NA MeJP NA NA +MJ007454 1,3-Dibutoxy-2-propanol C11H24O3 204.172544 NA MeJP NA NA +MJ007455 Ethambutol C10H24N2O2 204.183778 NA MeJP NA NA +C06984 Ethambutol C10H24N2O2 204.1838 NA KEGG NA NA +C06985 Transferred to D00314 C10H24N2O2 204.1838 NA KEGG NA NA +C01841 Pentalenene C15H24 204.1878 NA KEGG NA NA +C01860 Trichodiene C15H24 204.1878 NA KEGG NA NA +C02004 Aristolochene C15H24 204.1878 NA KEGG NA NA +C02005 Artiopeptin I C15H24 204.1878 NA KEGG NA NA +C06394 (+)-delta-Cadinene C15H24 204.1878 NA KEGG NA NA +C06395 [Protein]-L-serine C4H6N2O3R2 204.1878 NA KEGG NA NA +C06396 [Protein]-D-serine C4H6N2O3R2 204.1878 NA KEGG NA NA +C09625 beta-Cadinene C15H24 204.1878 NA KEGG NA NA +C09629 beta-Caryophyllene C15H24 204.1878 NA KEGG NA NA +C09630 alpha-Cedrene C15H24 204.1878 NA KEGG NA NA +C09635 alpha-Chamigrene C15H24 204.1878 NA KEGG NA NA +C09637 beta-Chamigrene C15H24 204.1878 NA KEGG NA NA +C09639 alpha-Copaene C15H24 204.1878 NA KEGG NA NA +C09647 alpha-Cubebene C15H24 204.1878 NA KEGG NA NA +C09648 beta-Cubebene C15H24 204.1878 NA KEGG NA NA +C09665 alpha-Farnesene C15H24 204.1878 NA KEGG NA NA +C09666 beta-Farnesene C15H24 204.1878 NA KEGG NA NA +C09672 Germacrene B C15H24 204.1878 NA KEGG NA NA +C09684 Humulene C15H24 204.1878 NA KEGG NA NA +C09691 Isocaryophyllene C15H24 204.1878 NA KEGG NA NA +C09699 Longifolene C15H24 204.1878 NA KEGG NA NA +C09718 beta-Santalene C15H24 204.1878 NA KEGG NA NA +C09723 beta-Selinene C15H24 204.1878 NA KEGG NA NA +C09740 Thujopsene C15H24 204.1878 NA KEGG NA NA +C09749 alpha-Ylangene C15H24 204.1878 NA KEGG NA NA +C09750 Zingiberene C15H24 204.1878 NA KEGG NA NA +C12142 Vetispiradiene C15H24 204.1878 NA KEGG NA NA +C16028 Amorpha-4,11-diene C15H24 204.1878 NA KEGG NA NA +C16029 Cocaine- and Amphetamine- regulated transcript (42-89) C15H24 204.1878 NA KEGG NA NA +C16030 Melanin-concentrating hormone C15H24 204.1878 NA KEGG NA NA +C16031 Neuropeptide GE C15H24 204.1878 NA KEGG NA NA +C16032 Neuropeptide W-30 C15H24 204.1878 NA KEGG NA NA +C16033 Neuropeptide W-23 C15H24 204.1878 NA KEGG NA NA +C16034 Neuropeptide B-29 C15H24 204.1878 NA KEGG NA NA +C16035 Neuropeptide B-23 C15H24 204.1878 NA KEGG NA NA +C16036 Neuropeptide S C15H24 204.1878 NA KEGG NA NA +C16037 Leumorphin C15H24 204.1878 NA KEGG NA NA +C16141 (+)-Germacrene A C15H24 204.1878 NA KEGG NA NA +C16142 (-)-Germacrene D C15H24 204.1878 NA KEGG NA NA +C16269 (+)-epi-Isozizaene C15H24 204.1878 NA KEGG NA NA +C16775 beta-Bisabolene C15H24 204.1878 NA KEGG NA NA +C16776 beta-Sesquiphellandrene C15H24 204.1878 NA KEGG NA NA +C16814 gamma-Bisabolene C15H24 204.1878 NA KEGG NA NA +C16815 alpha-Cadinene C15H24 204.1878 NA KEGG NA NA +C16829 gamma-Humulene C15H24 204.1878 NA KEGG NA NA +C16830 D-Aldonolactone C15H24 204.1878 NA KEGG NA NA +C17065 Sesquicarene C15H24 204.1878 NA KEGG NA NA +C17088 alpha-Bergamotene C15H24 204.1878 NA KEGG NA NA +C17094 beta-Elemene C15H24 204.1878 NA KEGG NA NA +C17120 beta-Gurjunene C15H24 204.1878 NA KEGG NA NA +C17277 (+)-Valencene C15H24 204.1878 NA KEGG NA NA +C17505 Cyperene C15H24 204.1878 NA KEGG NA NA +MJ007456 1(10),11-Cadinadiene C15H24 204.1878 NA MeJP NA NA +MJ007457 1(10),11-Eremophiladiene C15H24 204.1878 NA MeJP NA NA +MJ007458 1(10),11-Guaiadiene C15H24 204.1878 NA MeJP NA NA +MJ007459 1(10),11-Spirovetivadiene C15H24 204.1878 NA MeJP NA NA +MJ007460 1(10),3-Cadinadiene C15H24 204.1878 NA MeJP NA NA +MJ007461 1(10),4(15),5-Germacratriene C15H24 204.1878 NA MeJP NA NA +MJ007462 1(10),4,11-Germacratriene C15H24 204.1878 NA MeJP NA NA +MJ007463 1(10),4,6-Germacratriene C15H24 204.1878 NA MeJP NA NA +MJ007464 1(10),4,7(11)-Germacratriene C15H24 204.1878 NA MeJP NA NA +MJ007465 1(10),4-Amorphadiene C15H24 204.1878 NA MeJP NA NA +MJ007466 1(10),4-Cadinadiene C15H24 204.1878 NA MeJP NA NA +MJ007467 1(10),4-Lepidozadien-15-al, Deoxo C15H24 204.1878 NA MeJP NA NA +MJ007468 1(10),5,11-Germacratriene C15H24 204.1878 NA MeJP NA NA +MJ007469 1(10),7(11)-Eremophiladiene C15H24 204.1878 NA MeJP NA NA +MJ007470 1(10),7(11)-Guaiadiene C15H24 204.1878 NA MeJP NA NA +MJ007471 1(10)-Aristolene C15H24 204.1878 NA MeJP NA NA +MJ007472 1(10)-Aromadendrene C15H24 204.1878 NA MeJP NA NA +MJ007473 1(5),11-Guaiadiene C15H24 204.1878 NA MeJP NA NA +MJ007474 1(5),6-Guaiadiene C15H24 204.1878 NA MeJP NA NA +MJ007475 1(5),7(11)-Guaiadiene C15H24 204.1878 NA MeJP NA NA +MJ007476 1(6),4-Cadinadiene C15H24 204.1878 NA MeJP NA NA +MJ007477 1(6),5(10)-Brasiladiene C15H24 204.1878 NA MeJP NA NA +MJ007478 1,2,3,4,4a,5,6,7-Octahydro-4a,5-dimethyl-2-(1-methylethenyl)naphthalene C15H24 204.1878 NA MeJP NA NA +MJ007479 1,3(15),10-Bisabolatriene C15H24 204.1878 NA MeJP NA NA +MJ007480 1,3(15),6,10-Farnesatetraene C15H24 204.1878 NA MeJP NA NA +MJ007481 1,3(15),6-Humulatriene C15H24 204.1878 NA MeJP NA NA +MJ007482 1,3(15)-Himachaladiene C15H24 204.1878 NA MeJP NA NA +MJ007483 1,3,10-Bisabolatriene C15H24 204.1878 NA MeJP NA NA +MJ007484 1,3,11-Elematriene C15H24 204.1878 NA MeJP NA NA +MJ007485 1,3,6,10-Farnesatetraene C15H24 204.1878 NA MeJP NA NA +MJ007486 1,3,6-Elematriene C15H24 204.1878 NA MeJP NA NA +MJ007487 1,3,7(11)-Elematriene C15H24 204.1878 NA MeJP NA NA +MJ007488 1,3-Himachaladiene C15H24 204.1878 NA MeJP NA NA +MJ007489 1,4-Cadinadiene C15H24 204.1878 NA MeJP NA NA +MJ007490 1,4-Dimethyl-4-(1-methyl-2-methylenecyclopentyl)cyclohexene C15H24 204.1878 NA MeJP NA NA +MJ007491 1,5,7(11)-Elematriene C15H24 204.1878 NA MeJP NA NA +MJ007492 1,6-Himachaladiene C15H24 204.1878 NA MeJP NA NA +MJ007493 1,7(14),10-Bisabolatriene C15H24 204.1878 NA MeJP NA NA +MJ007494 1-Africanene C15H24 204.1878 NA MeJP NA NA +MJ007495 1-Aromadendrene C15H24 204.1878 NA MeJP NA NA +MJ007496 1-Methyl-4-(1,2,2-trimethylcyclopentyl)-1,3-cyclohexadiene C15H24 204.1878 NA MeJP NA NA +MJ007497 1-Methyl-4-(1,2,2-trimethylcyclopentyl)-1,4-cyclohexadiene C15H24 204.1878 NA MeJP NA NA +MJ007498 1-Silphinene C15H24 204.1878 NA MeJP NA NA +MJ007499 10(14)-Aromadendrene C15H24 204.1878 NA MeJP NA NA +MJ007500 10-Panasinsanene C15H24 204.1878 NA MeJP NA NA +MJ007501 11(1?10)-Abeo-1(5)-patchoulene C15H24 204.1878 NA MeJP NA NA +MJ007502 11-Bourbonene C15H24 204.1878 NA MeJP NA NA +MJ007503 11-Rotundene C15H24 204.1878 NA MeJP NA NA +MJ007504 2,4,6,10-Farnesatetraene C15H24 204.1878 NA MeJP NA NA +MJ007505 2,5,11-Bisabolatriene C15H24 204.1878 NA MeJP NA NA +MJ007506 2,6,10-Bisabolatriene C15H24 204.1878 NA MeJP NA NA +MJ007507 2,6,9-Humulatriene C15H24 204.1878 NA MeJP NA NA +MJ007508 2,6-Himachaladiene C15H24 204.1878 NA MeJP NA NA +MJ007509 2,7(14),10-Bisabolatriene C15H24 204.1878 NA MeJP NA NA +MJ007510 2,7(14),9-Humulatriene C15H24 204.1878 NA MeJP NA NA +MJ007511 2,7(14)-Chamigradiene C15H24 204.1878 NA MeJP NA NA +MJ007512 2,7(14)-Himachaladiene C15H24 204.1878 NA MeJP NA NA +MJ007513 2,7,10-Bisabolatriene C15H24 204.1878 NA MeJP NA NA +MJ007514 2,7,9-Bisabolatriene C15H24 204.1878 NA MeJP NA NA +MJ007515 2,7-Chamigradiene C15H24 204.1878 NA MeJP NA NA +MJ007516 2,7-Himachaladiene C15H24 204.1878 NA MeJP NA NA +MJ007517 2-Isocomene C15H24 204.1878 NA MeJP NA NA +MJ007518 2-Modhephene C15H24 204.1878 NA MeJP NA NA +MJ007519 2-Rossalene C15H24 204.1878 NA MeJP NA NA +MJ007520 2-Sterpurene C15H24 204.1878 NA MeJP NA NA +MJ007521 3(13)-Isocomene C15H24 204.1878 NA MeJP NA NA +MJ007522 3(15),6-Astericadiene C15H24 204.1878 NA MeJP NA NA +MJ007523 3(15),6-Caryophylladiene C15H24 204.1878 NA MeJP NA NA +MJ007524 3(15),7(14),10-Bisabolatriene C15H24 204.1878 NA MeJP NA NA +MJ007525 3(15)-Africanene C15H24 204.1878 NA MeJP NA NA +MJ007526 3(15)-Cedrene C15H24 204.1878 NA MeJP NA NA +MJ007527 3(15)-Gymnomitrene C15H24 204.1878 NA MeJP NA NA +MJ007528 3(15)-Panasinsanene C15H24 204.1878 NA MeJP NA NA +MJ007529 3,10(14)-Acoradiene C15H24 204.1878 NA MeJP NA NA +MJ007530 3,10(14)-Cadinadiene C15H24 204.1878 NA MeJP NA NA +MJ007531 3,10(14)-Guaiadiene C15H24 204.1878 NA MeJP NA NA +MJ007532 3,10-Precapnelladiene C15H24 204.1878 NA MeJP NA NA +MJ007533 3,11-Acoradiene C15H24 204.1878 NA MeJP NA NA +MJ007534 3,11-Eudesmadiene C15H24 204.1878 NA MeJP NA NA +MJ007535 3,5,10-Bisabolatriene C15H24 204.1878 NA MeJP NA NA +MJ007536 3,5-Acoradiene C15H24 204.1878 NA MeJP NA NA +MJ007537 3,5-Cadinadiene C15H24 204.1878 NA MeJP NA NA +MJ007538 3,5-Eudesmadiene; 10?-form C15H24 204.1878 NA MeJP NA NA +MJ007539 3,5-Muuroladiene C15H24 204.1878 NA MeJP NA NA +MJ007540 3,7(11)-Acoradiene C15H24 204.1878 NA MeJP NA NA +MJ007541 3,7(11)-Eudesmadiene C15H24 204.1878 NA MeJP NA NA +MJ007542 3,9-Acoradiene C15H24 204.1878 NA MeJP NA NA +MJ007543 3-Bourbonene C15H24 204.1878 NA MeJP NA NA +MJ007544 3-Cedrene C15H24 204.1878 NA MeJP NA NA +MJ007545 3-Copaene C15H24 204.1878 NA MeJP NA NA +MJ007546 3-Cubebene C15H24 204.1878 NA MeJP NA NA +MJ007547 3-Gymnomitrene C15H24 204.1878 NA MeJP NA NA +MJ007548 3-Longipinene C15H24 204.1878 NA MeJP NA NA +MJ007549 3-Patchoulene C15H24 204.1878 NA MeJP NA NA +MJ007550 3-Thujopsene C15H24 204.1878 NA MeJP NA NA +MJ007551 4(11),8-Daucadiene C15H24 204.1878 NA MeJP NA NA +MJ007552 4(15),10(14)-Bulgaradiene C15H24 204.1878 NA MeJP NA NA +MJ007553 4(15),10(14)-Cadinadiene C15H24 204.1878 NA MeJP NA NA +MJ007554 4(15),10(14)-Muuroladiene C15H24 204.1878 NA MeJP NA NA +MJ007555 4(15),11-Eudesmadiene C15H24 204.1878 NA MeJP NA NA +MJ007556 4(15),5,11-Muurolatriene C15H24 204.1878 NA MeJP NA NA +MJ007557 4(15),5-Acoradiene C15H24 204.1878 NA MeJP NA NA +MJ007558 4(15),5-Bulgaradiene C15H24 204.1878 NA MeJP NA NA +MJ007559 4(15),5-Eudesmadiene C15H24 204.1878 NA MeJP NA NA +MJ007560 4(15),5-Muuroladiene C15H24 204.1878 NA MeJP NA NA +MJ007561 4(15),7(11)-Eudesmadiene C15H24 204.1878 NA MeJP NA NA +MJ007562 4(15),7-Eudesmadiene C15H24 204.1878 NA MeJP NA NA +MJ007563 4(15),9-Cadinadiene C15H24 204.1878 NA MeJP NA NA +MJ007564 4(15)-Bourbonene C15H24 204.1878 NA MeJP NA NA +MJ007565 4(15)-Cubebene, 11-Hydroxy C15H24 204.1878 NA MeJP NA NA +MJ007566 4(15)-Hirsutene C15H24 204.1878 NA MeJP NA NA +MJ007567 4,10(14)-Amorphadiene C15H24 204.1878 NA MeJP NA NA +MJ007568 4,10(14)-Muuroladiene C15H24 204.1878 NA MeJP NA NA +MJ007569 4,10(15)-Cadinadiene C15H24 204.1878 NA MeJP NA NA +MJ007570 4,11(13)-Guaiadiene C15H24 204.1878 NA MeJP NA NA +MJ007571 4,11-Acoradiene C15H24 204.1878 NA MeJP NA NA +MJ007572 4,11-Amorphadiene C15H24 204.1878 NA MeJP NA NA +MJ007573 4,11-Cadinadiene C15H24 204.1878 NA MeJP NA NA +MJ007574 4,11-Eudesmadiene C15H24 204.1878 NA MeJP NA NA +MJ007575 4,6,10(15)-Germacratriene C15H24 204.1878 NA MeJP NA NA +MJ007576 4,6-Cadinadiene C15H24 204.1878 NA MeJP NA NA +MJ007577 4,6-Guaiadiene C15H24 204.1878 NA MeJP NA NA +MJ007578 4,7(11)-Acoradiene C15H24 204.1878 NA MeJP NA NA +MJ007579 4,7(11)-Amorphadiene C15H24 204.1878 NA MeJP NA NA +MJ007580 4,7(11)-Eudesmadiene C15H24 204.1878 NA MeJP NA NA +MJ007581 4,8-Daucadiene C15H24 204.1878 NA MeJP NA NA +MJ007582 4,9-Amorphadiene C15H24 204.1878 NA MeJP NA NA +MJ007583 4,9-Bulgaradiene C15H24 204.1878 NA MeJP NA NA +MJ007584 4,9-Cadinadiene C15H24 204.1878 NA MeJP NA NA +MJ007585 4,9-Muuroladiene C15H24 204.1878 NA MeJP NA NA +MJ007586 4-Aromadendrene C15H24 204.1878 NA MeJP NA NA +MJ007587 4-Patchoulen-15-ol; Deoxy C15H24 204.1878 NA MeJP NA NA +MJ007588 5(10),6-Brasiladiene C15H24 204.1878 NA MeJP NA NA +MJ007589 5,10-Brasiladiene C15H24 204.1878 NA MeJP NA NA +MJ007590 5,10-Pinguisadiene C15H24 204.1878 NA MeJP NA NA +MJ007591 5,11-Guaiadiene C15H24 204.1878 NA MeJP NA NA +MJ007592 5,7(14),8-Bisabolatriene C15H24 204.1878 NA MeJP NA NA +MJ007593 5-Africanene C15H24 204.1878 NA MeJP NA NA +MJ007594 5-Ethyl-3,7-dimethyl-2,4,6,8-undecatetraene C15H24 204.1878 NA MeJP NA NA +MJ007595 5-Silphiperfolene; 7?H-form C15H24 204.1878 NA MeJP NA NA +MJ007596 5-Silphiperfolene; 7à H-form C15H24 204.1878 NA MeJP NA NA +MJ007597 6(13)-Zizaene C15H24 204.1878 NA MeJP NA NA +MJ007598 6(8),7(11)-Valerenadiene C15H24 204.1878 NA MeJP NA NA +MJ007599 6,10(14)-Guaiadiene C15H24 204.1878 NA MeJP NA NA +MJ007600 6,11-Eudesmadiene C15H24 204.1878 NA MeJP NA NA +MJ007601 6,9-Guaiadiene C15H24 204.1878 NA MeJP NA NA +MJ007602 6-Protoilludene C15H24 204.1878 NA MeJP NA NA +MJ007603 6-Silphiperfolene C15H24 204.1878 NA MeJP NA NA +MJ007604 7(12)-Sativene C15H24 204.1878 NA MeJP NA NA +MJ007605 7(15)-Sinularene C15H24 204.1878 NA MeJP NA NA +MJ007606 7-Cedrene C15H24 204.1878 NA MeJP NA NA +MJ007607 7-Ethyl-3,5-dimethyl-2,4,6,8-undecatetraene C15H24 204.1878 NA MeJP NA NA +MJ007608 7-Presilphiperfolene C15H24 204.1878 NA MeJP NA NA +MJ007609 8,11-Daucadiene C15H24 204.1878 NA MeJP NA NA +MJ007610 9(12)-Capnellene C15H24 204.1878 NA MeJP NA NA +MJ007611 9,11-Cadinadiene C15H24 204.1878 NA MeJP NA NA +MJ007612 9,11-Eremophiladiene C15H24 204.1878 NA MeJP NA NA +MJ007613 9-Aristolene C15H24 204.1878 NA MeJP NA NA +MJ007614 9-Aromadendrene C15H24 204.1878 NA MeJP NA NA +MJ007615 9-Patchoulene C15H24 204.1878 NA MeJP NA NA +MJ007616 ?-Bergamotene; trans-form C15H24 204.1878 NA MeJP NA NA +MJ007617 ?-Duprezianene C15H24 204.1878 NA MeJP NA NA +MJ007618 ?-Gorgonene C15H24 204.1878 NA MeJP NA NA +MJ007619 ?-Maaliene C15H24 204.1878 NA MeJP NA NA +MJ007620 ?-Microbiotene C15H24 204.1878 NA MeJP NA NA +MJ007621 ?-Neoclovene C15H24 204.1878 NA MeJP NA NA +MJ007622 ?-Santala-3(15),10-diene C15H24 204.1878 NA MeJP NA NA +MJ007623 Bicycloelemene C15H24 204.1878 NA MeJP NA NA +MJ007624 Bicyclogermacrene C15H24 204.1878 NA MeJP NA NA +MJ007625 Caridiene C15H24 204.1878 NA MeJP NA NA +MJ007626 Cascarilladiene C15H24 204.1878 NA MeJP NA NA +MJ007627 Chenopodene C15H24 204.1878 NA MeJP NA NA +MJ007628 Clovene C15H24 204.1878 NA MeJP NA NA +MJ007629 Cyclocopacamphane C15H24 204.1878 NA MeJP NA NA +MJ007630 Cyclomyltaylenol; Deoxy C15H24 204.1878 NA MeJP NA NA +MJ007631 Cyclosativene C15H24 204.1878 NA MeJP NA NA +MJ007632 Cycloseychellene C15H24 204.1878 NA MeJP NA NA +MJ007633 Cyclosinularane C15H24 204.1878 NA MeJP NA NA +MJ007634 Dehydro-?-monocyclonerolidol C15H24 204.1878 NA MeJP NA NA +MJ007635 Erythrodiene C15H24 204.1878 NA MeJP NA NA +MJ007636 Ishwarane C15H24 204.1878 NA MeJP NA NA +MJ007637 Isoclovene C15H24 204.1878 NA MeJP NA NA +MJ007638 Isolongifolene C15H24 204.1878 NA MeJP NA NA +MJ007639 Italicene C15H24 204.1878 NA MeJP NA NA +MJ007640 Kelsoene C15H24 204.1878 NA MeJP NA NA +MJ007641 Longicyclene C15H24 204.1878 NA MeJP NA NA +MJ007642 Longifolene C15H24 204.1878 NA MeJP NA NA +MJ007643 Neoclovene C15H24 204.1878 NA MeJP NA NA +MJ007644 Pentalenene C15H24 204.1878 NA MeJP NA NA +MJ007645 Prezizaene C15H24 204.1878 NA MeJP NA NA +MJ007646 Pseudoclovene B C15H24 204.1878 NA MeJP NA NA +MJ007647 Senoxydene C15H24 204.1878 NA MeJP NA NA +MJ007648 Sesquicarene C15H24 204.1878 NA MeJP NA NA +MJ007649 Sesquisabinene C15H24 204.1878 NA MeJP NA NA +MJ007650 Seychellene C15H24 204.1878 NA MeJP NA NA +MJ007651 Spirolepechinene C15H24 204.1878 NA MeJP NA NA +MJ007652 Stachynene C15H24 204.1878 NA MeJP NA NA +MJ007653 Striatene C15H24 204.1878 NA MeJP NA NA +MJ007654 Tridensene C15H24 204.1878 NA MeJP NA NA +MJ007655 ?-Bergamotene C15H24 204.1878 NA MeJP NA NA +MJ007656 ?-Duprezianene C15H24 204.1878 NA MeJP NA NA +MJ007657 ?-Microbiotene C15H24 204.1878 NA MeJP NA NA +MJ007658 ?-Pseudowiddrene C15H24 204.1878 NA MeJP NA NA +MJ007659 ?-Santal-10-ene C15H24 204.1878 NA MeJP NA NA +MJ007660 ?-Cuprenene C15H24 204.1878 NA MeJP NA NA +MJ007661 Aristolochene C15H24 204.1878 NA MeJP NA NA +MJ007662 Trichodiene C15H24 204.1878 NA MeJP NA NA +MetaCyc01878 trichodiene [] C15H24 204.187801 28624-60-4 metacyc NA NA +MetaCyc01879 pentalenene [cyclopenta[c]pentalene;] C15H24 204.187801 NA metacyc NA NA +MetaCyc01880 (+)-δ-cadinene [] C15H24 204.187801 NA metacyc NA NA +MetaCyc01881 aristolochene [] C15H24 204.187801 26620-71-3 metacyc NA NA +MetaCyc01882 vetispiradiene [] C15H24 204.187801 NA metacyc NA NA +MetaCyc01883 5-epi-aristolochene [5-epiaristolochene;] C15H24 204.187801 NA metacyc NA NA +MetaCyc01884 amorpha-4,11-diene [] C15H24 204.187801 NA metacyc NA NA +TEST001 N?(carboxymethyl)lysine (CML) +sucre (glucose/fructose/galactose ?) C8H16N2O4 204.22364 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123800 PFEM_hmdb_metabocards_urine NA urine +TEST001 N?(carboxymethyl)lysine (CML) +sucre (glucose/fructose/galactose ?) C8H16N2O4 204.22364 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123800 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +TEST001 N?(carboxymethyl)lysine (CML) +sucre (glucose/fructose/galactose ?) C8H16N2O4 204.22364 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123800 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +TEST001 N?(carboxymethyl)lysine (CML) +sucre (glucose/fructose/galactose ?) C8H16N2O4 204.22364 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123800 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +TEST001 N?(carboxymethyl)lysine (CML) +sucre (glucose/fructose/galactose ?) C8H16N2O4 204.22364 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123800 HMDB NA NA +TEST001 N?(carboxymethyl)lysine (CML) +sucre (glucose/fructose/galactose ?) C8H16N2O4 204.22364 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123800 Inhouse_PFEM NA NA +TEST001 N?(carboxymethyl)lysine (CML) +sucre (glucose/fructose/galactose ?) C8H16N2O4 204.22364 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123800 PFEM_hmdb_metabocards_blood NA blood +TEST001 N?(carboxymethyl)lysine (CML) +sucre (glucose/fructose/galactose ?) C8H16N2O4 204.22364 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123800 PFEM_hmdb_metabocards_official NA NA +C11041 2,6-Dichlorothiobenzamide C7H5Cl2NS 204.952 NA KEGG NA NA +C12284 Saccharin sodium anhydrous C7H4NO3S 204.981 NA KEGG NA NA +MJ007663 N-Chloro-4-methylbenzenesulfonamide C7H8ClNO2S 204.996426 NA MeJP NA NA +JH177 Glucosamine 6-phosphate [M+H-3H2O]+ NA 205.0135 1.21 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH177 Glucosamine 6-phosphate [M+H-3H2O]+ NA 205.0135 1.21 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH177 Glucosamine 6-phosphate [M+H-3H2O]+ NA 205.0135 1.21 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH177 Glucosamine 6-phosphate [M+H-3H2O]+ NA 205.0135 1.21 Inhousejuil11 NA NA +MJ007664 2-(2-Hydroxyphenyl)-4-thiazolecarboxylic acid; Aldehyde C10H7NO2S 205.019749 NA MeJP NA NA +MJ007665 4-Amino-2-methyl-5-phosphomethylpyrimidine C5H8N3O4P 205.025242 NA MeJP NA NA +CJpos0540 Xanthurenic acid [(M+H)]+ C10H8NO4 205.036975 C18rt(min)=5.11 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0540 Xanthurenic acid [(M+H)]+ C10H8NO4 205.036975 C18rt(min)=5.11 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +JH139 Xanthurenic acid C10H7NO4 205.037 Rtobs12.46 PFEM_hmdb_metabocards_urine NA urine +JH139 Xanthurenic acid [M+H]+ C10H7NO4 205.037 12.46 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH139 Xanthurenic acid C10H7NO4 205.037 Rtobs12.46 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH139 Xanthurenic acid [M+H]+ C10H7NO4 205.037 12.46 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH139 Xanthurenic acid C10H7NO4 205.037 Rtobs12.46 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH139 Xanthurenic acid [M+H]+ C10H7NO4 205.037 12.46 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH139 Xanthurenic acid C10H7NO4 205.037 Rtobs12.46 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH139 Xanthurenic acid C10H7NO4 205.037 Rtobs12.46 HMDB NA NA +JH139 Xanthurenic acid C10H7NO4 205.037 Rtobs12.46 Inhouse_PFEM NA NA +JH139 Xanthurenic acid [M+H]+ C10H7NO4 205.037 12.46 Inhousejuil11 NA NA +JH139 Xanthurenic acid C10H7NO4 205.037 Rtobs12.46 PFEM_hmdb_metabocards_blood NA blood +JH139 Xanthurenic acid C10H7NO4 205.037 Rtobs12.46 PFEM_hmdb_metabocards_official NA NA +C02470 Xanthurenic acid C10H7NO4 205.0375 NA KEGG NA NA +C02471 [Glu(-Cys)]n-Gly C2H5NO2 205.0375 NA KEGG NA NA +C02472 alpha-D-Fucoside C6H11O5R 205.0375 NA KEGG NA NA +C02473 alpha-D-Lyxoside C5H9O5R 205.0375 NA KEGG NA NA +C02474 alpha-L-Arabinan C5H9O5R 205.0375 NA KEGG NA NA +C02475 alpha-L-Fucoside C6H11O5R 205.0375 NA KEGG NA NA +C05663 6-Hydroxykynurenate C10H7NO4 205.0375 NA KEGG NA NA +C08480 6-Hydroxykynurenic acid C10H7NO4 205.0375 NA KEGG NA NA +HMDB00881 Xanthurenic acid C10H7NO4 205.037506 NA HMDB2010 NA NA +MJ007666 6-Hydroxykynurenate C10H7NO4 205.037507 NA MeJP NA NA +MJ007667 Xanthurenic acid C10H7NO4 205.037507 NA MeJP NA NA +MJ007668 2,8-Dihydroxy-4-quinolinecarboxylic acid C10H7NO4 205.037507 NA MeJP NA NA +MJ007669 3,4-Dihydroxy-2-quinolinecarboxylic acid C10H7NO4 205.037507 NA MeJP NA NA +MJ007670 4,6-Dihydroxy-2-quinolinecarboxylic acid C10H7NO4 205.037507 NA MeJP NA NA +MetaCyc01885 xanthurenate [] C10H7N1O4 205.037508 NA metacyc NA NA +HMDB00881 Xanthurenic acid C10H7NO4 205.03751 http://www.hmdb.ca/metabolites/HMDB00881 PFEM_hmdb_metabocards_urine NA urine +HMDB00881 Xanthurenic acid C10H7NO4 205.03751 http://www.hmdb.ca/metabolites/HMDB00881 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00881 Xanthurenic acid C10H7NO4 205.03751 http://www.hmdb.ca/metabolites/HMDB00881 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00881 Xanthurenic acid C10H7NO4 205.03751 http://www.hmdb.ca/metabolites/HMDB00881 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00881 Xanthurenic acid C10H7NO4 205.03751 http://www.hmdb.ca/metabolites/HMDB00881 HMDB NA NA +HMDB00881 Xanthurenic acid C10H7NO4 205.03751 http://www.hmdb.ca/metabolites/HMDB00881 PFEM_hmdb_metabocards_blood NA blood +HMDB00881 Xanthurenic acid C10H7NO4 205.03751 HMDB00881 PFEM_hmdb_metabocards_official NA NA +CJneg0364 Xanthurenic acid [(M-H)]- C10H6NO4 205.038025 C18rt(min)=5.11 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0364 Xanthurenic acid [(M-H)]- C10H6NO4 205.038025 C18rt(min)=5.11 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ007671 Hexahydro-1,4-thiazepine-3,5-dicarboxylic acid C7H11NO4S 205.040878 NA MeJP NA NA +MJ007672 N-Acetylcysteine, S-Ac C7H11NO4S 205.040878 NA MeJP NA NA +MJ007673 Telmesteine C7H11NO4S 205.040878 NA MeJP NA NA +JH170 Trimethoxycinnamic acid (3,4,5-) [M+H-H2O-CH3]+ NA 205.0504 15.69 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH170 Trimethoxycinnamic acid (3,4,5-) [M+H-H2O-CH3]+ NA 205.0504 15.69 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH170 Trimethoxycinnamic acid (3,4,5-) [M+H-H2O-CH3]+ NA 205.0504 15.69 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH170 Trimethoxycinnamic acid (3,4,5-) [M+H-H2O-CH3]+ NA 205.0504 15.69 Inhousejuil11 NA NA +C00248 Lipoamide C8H15NOS2 205.0595 NA KEGG NA NA +MJ007674 1-Isothiocyanato-6-(methylthio)hexane; S-Oxide C8H15NOS2 205.059505 NA MeJP NA NA +MJ007675 3-(1-Methyl-2-pyrrolidinyl)-1,2-dithiolan-4-ol C8H15NOS2 205.059505 NA MeJP NA NA +MJ007676 Lipoamide C8H15NOS2 205.059505 NA MeJP NA NA +MetaCyc01886 lipoamide [5-(1,2-dithiolan-3-yl)-pentanamide;DL-lipoamide;] C8H15N1O1S2 205.059505 940-69-2 metacyc NA NA +HMDB00962 Lipoamide C8H15NOS2 205.059509 NA HMDB2010 NA NA +HMDB00962 Lipoamide C8H15NOS2 205.05951 http://www.hmdb.ca/metabolites/HMDB00962 HMDB NA NA +HMDB00962 Lipoamide C8H15NOS2 205.05951 HMDB00962 PFEM_hmdb_metabocards_official NA NA +EUR284 Neopterine F5 F5 205.062475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR284 Neopterine F5 NA 205.062475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR284 Neopterine F5 F5 205.062475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR284 Neopterine F5 NA 205.062475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR284 Neopterine F5 F5 205.062475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR284 Neopterine F5 NA 205.062475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR284 Neopterine F5 F5 205.062475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR284 Néoptérine F5 F5 205.062475 standards wishlist analysés sur QTOF HMDB NA NA +EUR284 Neopterine F5 F5 205.062475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR284 Neopterine F5 NA 205.062475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR284 Neopterine F5 F5 205.062475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR284 Neopterine F5 F5 205.062475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0541 Cinnamoylglycine [(M+H)]+ C11H12NO3 205.073375 C18rt(min)=7.03 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0541 Cinnamoylglycine [(M+H)]+ C11H12NO3 205.073375 C18rt(min)=7.03 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +HMDB00671 Indolelactic acid C11H11NO3 205.07388 http://www.hmdb.ca/metabolites/HMDB00671 PFEM_hmdb_metabocards_urine NA urine +HMDB00671 Indolelactic acid C11H11NO3 205.07388 http://www.hmdb.ca/metabolites/HMDB00671 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00671 Indolelactic acid C11H11NO3 205.07388 http://www.hmdb.ca/metabolites/HMDB00671 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00671 Indolelactic acid C11H11NO3 205.07388 http://www.hmdb.ca/metabolites/HMDB00671 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00671 Indolelactic acid C11H11NO3 205.07388 http://www.hmdb.ca/metabolites/HMDB00671 HMDB NA NA +HMDB04096 5-Methoxyindoleacetate C11H11NO3 205.07388 http://www.hmdb.ca/metabolites/HMDB04096 HMDB NA NA +HMDB00671 Indolelactic acid C11H11NO3 205.07388 http://www.hmdb.ca/metabolites/HMDB00671 PFEM_hmdb_metabocards_blood NA blood +HMDB00671 Indolelactic acid C11H11NO3 205.07388 HMDB00671 PFEM_hmdb_metabocards_official NA NA +HMDB04096 5-Methoxyindoleacetate C11H11NO3 205.07388 HMDB04096 PFEM_hmdb_metabocards_official NA NA +MJ007677 5-Methoxyindoleacetate C11H11NO3 205.073893 NA MeJP NA NA +MJ007678 Indolelactate C11H11NO3 205.073893 NA MeJP NA NA +MJ007679 1,6,7-Isoquinolinetriol; NH-form, O6,N-Di-Me C11H11NO3 205.073893 NA MeJP NA NA +MJ007680 1H-Indole-3-carboxylic acid; N-Methoxy, Me ester C11H11NO3 205.073893 NA MeJP NA NA +MJ007681 2,3,4-Quinolinetriol; 3,4-Di-Me ether C11H11NO3 205.073893 NA MeJP NA NA +MJ007682 2,3-Dihydro-2-oxo-1H-indole-3-acetic acid, Me ester C11H11NO3 205.073893 NA MeJP NA NA +MJ007683 2,4,6-Quinolinetriol; NH-form, N,O4-Di-Me C11H11NO3 205.073893 NA MeJP NA NA +MJ007684 2,4,8-Quinolinetriol; 4,8-Di-Me ether C11H11NO3 205.073893 NA MeJP NA NA +MJ007685 2,4,8-Quinolinetriol; NH-form, O4,N-di-Me C11H11NO3 205.073893 NA MeJP NA NA +MJ007686 2,4-Quinolinediol; 2-One-form, 4-Me ether, N-methoxy C11H11NO3 205.073893 NA MeJP NA NA +MJ007687 3,4-Dihydro-6,7-methylenedioxy-1(2H)-isoquinolinone; N-Me C11H11NO3 205.073893 NA MeJP NA NA +MJ007688 4-Methoxy-7,8-dimethyl-2H-pyrano[4,3-b]pyridin-2-one C11H11NO3 205.073893 NA MeJP NA NA +MJ007689 5-Hydroxy-1H-indole-3-acetic acid; Me ether C11H11NO3 205.073893 NA MeJP NA NA +MJ007690 6,8-Dihydroxy-3,4-dimethyl-1(2H)-isoquinolinone C11H11NO3 205.073893 NA MeJP NA NA +MJ007691 Cotarnoline C11H11NO3 205.073893 NA MeJP NA NA +MJ007692 Gentianamine C11H11NO3 205.073893 NA MeJP NA NA +MJ007693 Racemigerine; 6,7-Epoxide C11H11NO3 205.073893 NA MeJP NA NA +MJ007694 Scaevoline C11H11NO3 205.073893 NA MeJP NA NA +MetaCyc01887 indole-3-lactate [indole lactate;] C11H11N1O3 205.073893 1821-52-9 metacyc NA NA +HMDB00671 Indolelactic acid C11H11NO3 205.073898 NA HMDB2010 NA NA +HMDB04096 5-Methoxyindoleacetate C11H11NO3 205.073898 NA HMDB2010 NA NA +HMDB11621 Cinnamoylglycine C11H11NO3 205.073898 NA HMDB2010 NA NA +C02043 Indolelactate C11H11NO3 205.0739 NA KEGG NA NA +C05660 5-Methoxyindoleacetate C11H11NO3 205.0739 NA KEGG NA NA +C09961 Gentianamine C11H11NO3 205.0739 NA KEGG NA NA +C10741 Swietenidin B C11H11NO3 205.0739 NA KEGG NA NA +CJneg0365 Cinnamoylglycine [(M-H)]- C11H10NO3 205.074425 C18rt(min)=7.03 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0365 Cinnamoylglycine [(M-H)]- C11H10NO3 205.074425 C18rt(min)=7.03 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ007695 Tizabrin C8H15NO3S 205.077264 NA MeJP NA NA +MJ007696 Lobendazole C10H11N3O2 205.085126 NA MeJP NA NA +MJ007697 2-Phenylquinoline C15H11N 205.089149 NA MeJP NA NA +MJ007698 3-Phenylquinoline C15H11N 205.089149 NA MeJP NA NA +MJ007699 Cinflumide C12H12FNO 205.090292 NA MeJP NA NA +CJpos0542 Tryptophan isomer [(M+H)]+ (13C) C1013CH13N2O2 205.092675 C18rt(min)=5.26 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0542 Tryptophan isomer [(M+H)]+ (13C) C1013CH13N2O2 205.092675 C18rt(min)=5.26 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJneg0366 Tryptophan isomer [(M-H)]- (13C) C1013CH11N2O2 205.093825 C18rt(min)=5.26 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0366 Tryptophan isomer [(M-H)]- (13C) C1013CH11N2O2 205.093825 C18rt(min)=5.26 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +C15480 N-Acetyl-D-fucosamine C8H15NO5 205.095 NA KEGG NA NA +C15481 N-Acetyl-D-quinovosamine C8H15NO5 205.095 NA KEGG NA NA +MJ007700 2-Amino-2,6-dideoxytalose, N-Ac C8H15NO5 205.095022 NA MeJP NA NA +MJ007701 3-Deoxy-3-(methylamino)arabinose, N-Ac C8H15NO5 205.095022 NA MeJP NA NA +MJ007702 8-Azabicyclo[3.2.1]octane-1,2,3,4,6-pentol, N-Me C8H15NO5 205.095022 NA MeJP NA NA +MJ007703 Casuarine C8H15NO5 205.095022 NA MeJP NA NA +MJ007704 Evernitrose C8H15NO5 205.095022 NA MeJP NA NA +MJ007705 Rubranitrose C8H15NO5 205.095022 NA MeJP NA NA +MetaCyc01888 chitin [β-1,4-poly-N-acetyl-D-glucosamine;[1,4-(N-acetyl-β-D-glucosaminyl) ]n;[1,4-(N-acetyl-β-D-glucosaminyl) ]n +1;] C8H15N1O5 205.095023 1398-61-4 metacyc NA NA +MJ007706 2-(3-Fluorophenyl)-1H-imidazole-4-ethanamine C11H12FN3 205.101525 NA MeJP NA NA +MJ007707 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methylisoquinoline, 1,2-Didehydro C12H15NO2 205.110278 NA MeJP NA NA +MJ007708 Bellendine C12H15NO2 205.110278 NA MeJP NA NA +MJ007709 Dihydroshihunine C12H15NO2 205.110278 NA MeJP NA NA +MJ007710 Isobellendine C12H15NO2 205.110278 NA MeJP NA NA +MJ007711 N-(2-Hydroxyethyl)cinnamamide; N-Me C12H15NO2 205.110278 NA MeJP NA NA +MJ007712 Norsecurinine, 14,15-Dihydro C12H15NO2 205.110278 NA MeJP NA NA +C10846 Bellendine C12H15NO2 205.1103 NA KEGG NA NA +8068 synthetic peptide RHV 205.1135 MH2+ Inhouse_peptide NA peptide +C17225 Tetrahomomethionine C9H19NO2S 205.1137 NA KEGG NA NA +8308 ACE inhibitor VVPP 205.12 MH2+ Inhouse_peptide NA peptide +MJ007713 Triacsin B C11H15N3O 205.121512 NA MeJP NA NA +C05944 Pantothenol C9H19NO4 205.1314 NA KEGG NA NA +MJ007714 Pantothenol C9H19NO4 205.131408 NA MeJP NA NA +MJ007715 4-Amino-4,6-dideoxy-3-C-methylmannose; ?-D-Pyranose-form, Me glycoside, N-Me C9H19NO4 205.131408 NA MeJP NA NA +MJ007716 4-Amino-4,6-dideoxy-3-C-methylmannose; ?-D-Pyranose-form, Me glycoside, N-Me C9H19NO4 205.131408 NA MeJP NA NA +MJ007717 Panthenol C9H19NO4 205.131408 NA MeJP NA NA +MetaCyc01889 pantothenol [dexpanthenol;bepanthen;panthenol;pantothenol;pantothenylol alcohol;] C9H19N1O4 205.131408 81-13-0 metacyc NA NA +HMDB04231 Pantothenol C9H19NO4 205.131409 NA HMDB2010 NA NA +HMDB04231 Pantothenol C9H19NO4 205.13141 http://www.hmdb.ca/metabolites/HMDB04231 HMDB NA NA +HMDB04231 Pantothenol C9H19NO4 205.13141 HMDB04231 PFEM_hmdb_metabocards_official NA NA +C07673 Phenformin C10H15N5 205.1327 NA KEGG NA NA +MJ007718 Phenformin C10H15N5 205.132745 NA MeJP NA NA +MJ007719 Trapidil C10H15N5 205.132745 NA MeJP NA NA +MJ007720 2-(Diethylamino)-1-phenyl-1-propanone C13H19NO 205.146664 NA MeJP NA NA +MJ007721 5-(3-Furanyl)-8-methylindolizidine C13H19NO 205.146664 NA MeJP NA NA +MJ007722 Pyrrolsedamine C13H19NO 205.146664 NA MeJP NA NA +MJ007723 Sedamine, N-De-Me C13H19NO 205.146664 NA MeJP NA NA +C06954 Diethylpropion C13H19NO 205.1467 NA KEGG NA NA +C01259 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine C9H21N2O3 205.1552 NA KEGG NA NA +HMDB01422 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine C9H21N2O3 205.15521 http://www.hmdb.ca/metabolites/HMDB01422 HMDB NA NA +HMDB01422 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine C9H21N2O3 205.15521 HMDB01422 PFEM_hmdb_metabocards_official NA NA +HMDB01422 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine C9H21N2O3 205.155212 NA HMDB2010 NA NA +MJ007724 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine C9H21N2O3 205.155217 NA MeJP NA NA +MetaCyc01890 3-hydroxy-N6,N6,N6-trimethyl-L-lysine [(5-amino-5-carboxy-4-hydroxy-pentyl)-trimethyl-ammonium;] C9H21N2O3 205.155218 NA metacyc NA NA +MJ007725 8-Methyl-5-(4-pentenyl)indolizidine; 4',5'-Didehydro C14H23N 205.183049 NA MeJP NA NA +MJ007726 Dendrobates Alkaloid 203; Dihydro (?) C14H23N 205.183049 NA MeJP NA NA +MJ007727 Dendrobates Alkaloid 205B C14H23N 205.183049 NA MeJP NA NA +MJ007728 Dibromochloromethane CHBr2Cl 205.813353 NA MeJP NA NA +C14692 Chlorodibromomethane CHBr2Cl 205.8134 NA KEGG NA NA +MJ007729 Hexathiepane CH2S6 205.848074 NA MeJP NA NA +MJ007730 3,5-Dichloro-4-hydroxybenzoic acid C7H4Cl2O3 205.953749 NA MeJP NA NA +MJ007731 2,6-Dichloro-4-nitroaniline C6H4Cl2N2O2 205.964982 NA MeJP NA NA +C11000 2,6-Dichloro-4-nitroaniline C6H4Cl2N2O2 205.965 NA KEGG NA NA +C07736 Etidronic acid C2H8O7P2 205.9745 NA KEGG NA NA +C07737 Transferred to D00634 C2H8O7P2 205.9745 NA KEGG NA NA +C07738 Transferred to D00635 C2H8O7P2 205.9745 NA KEGG NA NA +C07739 Transferred to D00636 C2H8O7P2 205.9745 NA KEGG NA NA +MJ007732 1-Hydroxy-1,1-ethanediphosphonic acid C2H8O7P2 205.974525 NA MeJP NA NA +C11252 Chloroneb C8H8Cl2O2 205.9901 NA KEGG NA NA +MJ007733 2-(3,5-Dichloro-4-hydroxyphenyl)ethanol C8H8Cl2O2 205.990134 NA MeJP NA NA +MJ007734 3,5-Dichloro-4-hydroxybenzyl alcohol; 4-Me ether C8H8Cl2O2 205.990134 NA MeJP NA NA +MJ007735 4,6-Dichloro-5-methyl-1,3-benzenediol; Mono-Me ether C8H8Cl2O2 205.990134 NA MeJP NA NA +C13793 3-Bromo-2Z-heptenoic acid C7H11BrO2 205.9942 NA KEGG NA NA +MJ007736 3-Bromo-2-heptenoic acid C7H11BrO2 205.994242 NA MeJP NA NA +MetaCyc01891 2-furaldehyde [] C6H7O6P1 205.998024 NA metacyc NA NA +JH072 Vanillic acid [M+K]+ NA 205.99816 11.79 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH072 Vanillic acid [M+K]+ NA 205.99816 11.79 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH072 Vanillic acid [M+K]+ NA 205.99816 11.79 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH072 Vanillic acid [M+K]+ NA 205.99816 11.79 Inhousejuil11 NA NA +MJ007737 3-Oxalomalate C6H6O8 206.006267 NA MeJP NA NA +MetaCyc01892 3-oxalomalate [3-oxalomalic acid;oxalomalic acid;] C6H6O8 206.006267 89304-26-7 metacyc NA NA +C01990 3-Oxalomalate C6H6O8 206.0063 NA KEGG NA NA +C18012 Flaviolin C10H6O5 206.0215 NA KEGG NA NA +MJ007738 2,3,5-Trihydroxy-1,4-naphthoquinone C10H6O5 206.021523 NA MeJP NA NA +MJ007739 2,3-Dihydro-3-methylene-2-oxo-1,4-benzodioxin-6-carboxylic acid C10H6O5 206.021523 NA MeJP NA NA +MJ007740 2,5,7-Trihydroxy-1,4-naphthoquinone C10H6O5 206.021523 NA MeJP NA NA +MJ007741 2,5,8-Trihydroxy-1,4-naphthoquinone C10H6O5 206.021523 NA MeJP NA NA +MJ007742 6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7,8-Methylene ether C10H6O5 206.021523 NA MeJP NA NA +MJ007743 7-Hydroxy-2-oxo-2H-1-benzopyran-6-carboxylic acid C10H6O5 206.021523 NA MeJP NA NA +MJ007744 2-Chloro-2-butenedioic acid, Di-Et ester C8H11ClO4 206.034586 NA MeJP NA NA +MJ007745 3-[5-(1-Propynyl)-2-thienyl]-2-propenoic acid, Me ester C11H10O2S 206.04015 NA MeJP NA NA +MJ007746 5-(3-Methylthio-2-hexen-4-ynylidene)-2(5H)-furanone C11H10O2S 206.04015 NA MeJP NA NA +MJ007747 5-(5-Methyl-2-thienyl)-2-penten-4-ynoic acid, Me ester C11H10O2S 206.04015 NA MeJP NA NA +MJ007748 5-(5-Methylthio-4-hexen-2-ynylidene)-2(5H)-furanone C11H10O2S 206.04015 NA MeJP NA NA +MJ007749 5-Methyl-4-(methylthio)-2H-1-benzopyran-2-one C11H10O2S 206.04015 NA MeJP NA NA +MJ007750 6-[4-(Methylthio)-1,2,3-pentatrienyl]-2H-pyran-2-one C11H10O2S 206.04015 NA MeJP NA NA +CJpos0543 Xanthurenic acid [(M+H)]+ (13C) C913CH8NO4 206.040275 C18rt(min)=5.11 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0543 Xanthurenic acid [(M+H)]+ (13C) C913CH8NO4 206.040275 C18rt(min)=5.11 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB00379 2-Methylcitric acid C7H10O7 206.042648 NA HMDB2010 NA NA +HMDB03518 Homocitric acid C7H10O7 206.042648 NA HMDB2010 NA NA +HMDB06471 Methylisocitric acid C7H10O7 206.042648 NA HMDB2010 NA NA +HMDB00379 2-Methylcitric acid C7H10O7 206.04265 http://www.hmdb.ca/metabolites/HMDB00379 PFEM_hmdb_metabocards_urine NA urine +HMDB00379 2-Methylcitric acid C7H10O7 206.04265 http://www.hmdb.ca/metabolites/HMDB00379 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00379 2-Methylcitric acid C7H10O7 206.04265 http://www.hmdb.ca/metabolites/HMDB00379 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00379 2-Methylcitric acid C7H10O7 206.04265 http://www.hmdb.ca/metabolites/HMDB00379 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00379 2-Methylcitric acid C7H10O7 206.04265 http://www.hmdb.ca/metabolites/HMDB00379 HMDB NA NA +HMDB03518 Homocitric acid C7H10O7 206.04265 http://www.hmdb.ca/metabolites/HMDB03518 HMDB NA NA +HMDB06471 D.L-methylisocitrate C7H10O7 206.04265 http://www.hmdb.ca/metabolites/HMDB06471 HMDB NA NA +HMDB00379 2-Methylcitric acid C7H10O7 206.04265 http://www.hmdb.ca/metabolites/HMDB00379 PFEM_hmdb_metabocards_blood NA blood +HMDB00379 2-Methylcitric acid C7H10O7 206.04265 HMDB00379 PFEM_hmdb_metabocards_official NA NA +HMDB03518 Homocitric acid C7H10O7 206.04265 HMDB03518 PFEM_hmdb_metabocards_official NA NA +HMDB06471 D.L-methylisocitrate C7H10O7 206.04265 HMDB06471 PFEM_hmdb_metabocards_official NA NA +MJ007751 Citric acid; 2-Me ester C7H10O7 206.042652 NA MeJP NA NA +MJ007752 (2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate C7H10O7 206.042652 NA MeJP NA NA +MJ007753 2-Hydroxybutane-1,2,4-tricarboxylate C7H10O7 206.042652 NA MeJP NA NA +MJ007754 2-Methylcitrate C7H10O7 206.042652 NA MeJP NA NA +MJ007755 Homoisocitrate C7H10O7 206.042652 NA MeJP NA NA +MetaCyc01893 homoisocitrate [(-)-1-hydroxy-1,2,4-butanetricarboxylate;homo-I-cit;1-Hydroxy-1,2,4-butanetricarboxylate;2-hydroxy-3-carboxyadipate;homo-iso-citrate;1-(R)-hydroxy-2-(S)-1,2,4-butanetricarboxylic acid;1-Hydroxybutane-1,2,4-tricarboxylate;(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate;] C7H10O7 206.042653 NA metacyc NA NA +MetaCyc01894 homocitrate [homocit;2-Hydroxybutane-1,2,4-tricarboxylate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;] C7H10O7 206.042653 3562-74-1 metacyc NA NA +MetaCyc01895 2-methylcitrate [2-hydroxybutane-1,2,3-tricarboxylate;(2S,3S)-2-methylcitrate;] C7H10O7 206.042653 96-17-3 metacyc NA NA +MetaCyc01896 methylisocitrate [(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate;Methylisocitric acid;(2R,3S)2-methylisocitrate;] C7H10O7 206.042653 20298-95-7 metacyc NA NA +MetaCyc01897 (-) threo-isohomocitrate [(2R,3S)-1-hydroxy-1,2,4-butanetricarboxylic acid;(2R,3S)-1-hydroxy-1,2,4-butanetricarboxylate;] C7H10O7 206.042653 NA metacyc NA NA +MetaCyc01898 (S)-homocitrate [(S)-2-hydroxy-1,2,4-butanetricarboxylic acid;] C7H10O7 206.042653 NA metacyc NA NA +C01251 (R)-2-Hydroxybutane-1,2,4-tricarboxylate C7H10O7 206.0427 NA KEGG NA NA +C02225 2-Methylcitrate C7H10O7 206.0427 NA KEGG NA NA +C04593 (2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate C7H10O7 206.0427 NA KEGG NA NA +C05662 Homoisocitrate C7H10O7 206.0427 NA KEGG NA NA +EUR130 Lipoic acid C8H14O2S2 206.0435 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR130 Lipoic acid C8H14O2S2 206.0435 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR130 Lipoic acid C8H14O2S2 206.0435 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR130 Lipoic acid C8H14O2S2 206.0435 Wishlist Inhousejuil11 NA NA +C00725 Lipoate C8H14O2S2 206.0435 NA KEGG NA NA +C00726 Nitrile CNR 206.0435 NA KEGG NA NA +C16241 (R)-Lipoic acid C8H14O2S2 206.0435 NA KEGG NA NA +HMDB01451 Lipoic acid C8H14O2S2 206.043518 NA HMDB2010 NA NA +HMDB01451 Lipoic acid C8H14O2S2 206.04352 http://www.hmdb.ca/metabolites/HMDB01451 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01451 Lipoic acid C8H14O2S2 206.04352 http://www.hmdb.ca/metabolites/HMDB01451 HMDB NA NA +HMDB01451 Lipoic acid C8H14O2S2 206.04352 http://www.hmdb.ca/metabolites/HMDB01451 PFEM_hmdb_metabocards_blood NA blood +HMDB01451 Lipoic acid C8H14O2S2 206.04352 HMDB01451 PFEM_hmdb_metabocards_official NA NA +MJ007756 ?-Lipoic acid C8H14O2S2 206.043521 NA MeJP NA NA +MJ007757 ?-Lipoic acid C8H14O2S2 206.043521 NA MeJP NA NA +MetaCyc01899 lipoate [α-liponic acid;5-(1,2-dithiolan-3-yl)-pentanoate;lipoic acid;] C8H14O2S2 206.043521 62-46-4 metacyc NA NA +EUR130 Lipoic acid C8H14O2S2 206.043524 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR130 Lipoic acid C8H14O2S2 206.043524 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR130 Lipoic acid C8H14O2S2 206.043524 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR130 Lipoic acid C8H14O2S2 206.043524 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR130 Lipoic acid C8H14O2S2 206.043524 Wishlist HMDB NA NA +EUR130 Lipoic acid C8H14O2S2 206.043524 Wishlist Inhouse_PFEM NA NA +EUR130 Lipoic acid C8H14O2S2 206.043524 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR130 Lipoic acid C8H14O2S2 206.043524 Wishlist PFEM_hmdb_metabocards_official NA NA +MetaCyc01900 dioxindole-3-acetate [] C10H8N1O4 206.045333 NA metacyc NA NA +MetaCyc01901 7-hydroxy-2-oxindole-3-acetic-acid [7-hydroxy-2-indolinone-3-acetic acid;] C10H8N1O4 206.045333 NA metacyc NA NA +MetaCyc01902 indolylmethylthiohydroximate [indolylmethylthiohydroximic acid;] C10H10N2O1S1 206.051384 NA metacyc NA NA +C16516 Indolylmethylthiohydroximate C10H10N2OS 206.0514 NA KEGG NA NA +JH162 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H20]+ NA 206.0573 13.56 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH162 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H20]+ NA 206.0573 13.56 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH162 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H20]+ NA 206.0573 13.56 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH162 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H20]+ NA 206.0573 13.56 Inhousejuil11 NA NA +C09012 Lathodoratin C11H10O4 206.0579 NA KEGG NA NA +C09311 Scoparone C11H10O4 206.0579 NA KEGG NA NA +C14085 2-Hydroxy-8-methylchromene-2-carboxylate C11H10O4 206.0579 NA KEGG NA NA +C14086 2-Hydroxy-3-methylbenzalpyruvate C11H10O4 206.0579 NA KEGG NA NA +C14092 cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene C11H10O4 206.0579 NA KEGG NA NA +MJ007758 10-Hydroxy-2,8-decadiene-4,6-diynoic acid, 8,9-Epoxide, Me ester C11H10O4 206.057908 NA MeJP NA NA +MJ007759 2,3-Dihydro-3,5-dihydroxy-2-methylnaphthoquinone C11H10O4 206.057908 NA MeJP NA NA +MJ007760 3,4-Dihydro-8-hydroxy-3,5-dimethyl-1H-2-benzopyran-1-one, 1''-Oxo C11H10O4 206.057908 NA MeJP NA NA +MJ007761 3-(2-Methoxy-4,5-methylenedioxyphenyl)propenal C11H10O4 206.057908 NA MeJP NA NA +MJ007762 3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, Aldehyde, 3'-Me, 4',5'-methylene ether C11H10O4 206.057908 NA MeJP NA NA +MJ007763 3-(3,4,5-Trihydroxyphenyl)-2-propenal, 3,4-Methylene, 5-Me ether C11H10O4 206.057908 NA MeJP NA NA +MJ007764 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, Vinyl ester C11H10O4 206.057908 NA MeJP NA NA +MJ007765 3-Ethyl-5,7-dihydroxy-4H-1-benzopyran-4-one C11H10O4 206.057908 NA MeJP NA NA +MJ007766 4,6-Dihydroxy-5-methyl-2H-1-benzopyran-2-one; 4-Me ether C11H10O4 206.057908 NA MeJP NA NA +MJ007767 4,7-Dihydroxy-5-methyl-2H-1-benzopyran-2-one; 4-Me ether C11H10O4 206.057908 NA MeJP NA NA +MJ007768 4,8-Dihydroxy-5-methyl-2H-1-benzopyran-2-one; 4-Me ether C11H10O4 206.057908 NA MeJP NA NA +MJ007769 4-Hydroxy-5-(hydroxymethyl)-2H-1-benzopyran-2-one; 4-Me ether C11H10O4 206.057908 NA MeJP NA NA +MJ007770 5,7-Dihydroxy-2,6-dimethyl-4H-1-benzopyran-4-one C11H10O4 206.057908 NA MeJP NA NA +MJ007771 5,7-Dihydroxy-2,8-dimethyl-4H-1-benzopyran-4-one C11H10O4 206.057908 NA MeJP NA NA +MJ007772 5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one; 5-Me ether C11H10O4 206.057908 NA MeJP NA NA +MJ007773 5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one; 7-Me ether C11H10O4 206.057908 NA MeJP NA NA +MJ007774 5,7-Dihydroxy-2H-1-benzopyran-2-one; Di-Me ether C11H10O4 206.057908 NA MeJP NA NA +MJ007775 5,7-Dihydroxy-4H-1-benzopyran-4-one; Di-Me ether C11H10O4 206.057908 NA MeJP NA NA +MJ007776 5,7-Dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one C11H10O4 206.057908 NA MeJP NA NA +MJ007777 5,8-Dihydroxy-2H-1-benzopyran-2-one; Di-Me ether C11H10O4 206.057908 NA MeJP NA NA +MJ007778 6,7-Dihydroxy-2H-1-benzopyran-2-one; Di-Me ether C11H10O4 206.057908 NA MeJP NA NA +MJ007779 6,7-Dihydroxy-4H-1-benzopyran-4-one; Di-Me ether C11H10O4 206.057908 NA MeJP NA NA +MJ007780 6,8-Dihydroxy-3-methyl-1H-2-benzopyran-1-one; 6-Me ether C11H10O4 206.057908 NA MeJP NA NA +MJ007781 7,8-Dihydroxy-2H-1-benzopyran-2-one; Di-Me ether C11H10O4 206.057908 NA MeJP NA NA +MJ007782 7-Hydroxy-2-(hydroxymethyl)-5-methyl-4H-1-benzopyran-4-one C11H10O4 206.057908 NA MeJP NA NA +MJ007783 7-Hydroxy-6-(hydroxymethyl)-2H-1-benzopyran-2-one; O7-Me C11H10O4 206.057908 NA MeJP NA NA +MJ007784 8-Hydroxy-3,4-bis(hydroxymethyl)-1H-2-benzopyran-1-one; 1'-Deoxy C11H10O4 206.057908 NA MeJP NA NA +MJ007785 8-Hydroxy-3,4-bis(hydroxymethyl)-1H-2-benzopyran-1-one; 2'-Deoxy C11H10O4 206.057908 NA MeJP NA NA +MJ007786 Anhydrosepedonin C11H10O4 206.057908 NA MeJP NA NA +MJ007787 Cladobotrin I C11H10O4 206.057908 NA MeJP NA NA +MJ007788 Murrayacarpin A C11H10O4 206.057908 NA MeJP NA NA +MJ007789 Pedicellatin C11H10O4 206.057908 NA MeJP NA NA +MJ007790 Plumbagic acid, ?-Lactone C11H10O4 206.057908 NA MeJP NA NA +7597 ACE inhibitor GM 206.0614 antioxidative Inhouse_peptide NA peptide +7609 ACE inhibitor MG 206.0614 antioxidative Inhouse_peptide NA peptide +MJ007791 1-Chloro-3-chloromethyl-7-methyl-2,6-octadiene C10H16Cl2 206.062905 NA MeJP NA NA +HMDB06785 Dihydrolipoylprotein C8H16NOS2 206.06734 http://www.hmdb.ca/metabolites/HMDB06785 HMDB NA NA +HMDB06879 Dihydrolipoamide-E C8H16NOS2 206.06734 http://www.hmdb.ca/metabolites/HMDB06879 HMDB NA NA +HMDB06785 Dihydrolipoylprotein C8H16NOS2 206.06734 HMDB06785 PFEM_hmdb_metabocards_official NA NA +HMDB06879 Dihydrolipoamide-E C8H16NOS2 206.06734 HMDB06879 PFEM_hmdb_metabocards_official NA NA +MJ007792 2-Hydroxymethyl-3-methylquinoxaline; 1,4-Dioxide C10H10N2O3 206.069142 NA MeJP NA NA +MJ007793 2-Pyruvoylaminobenzamide C10H10N2O3 206.069142 NA MeJP NA NA +MJ007794 Caroxazone C10H10N2O3 206.069142 NA MeJP NA NA +MJ007795 Paraxazone C10H10N2O3 206.069142 NA MeJP NA NA +MJ007796 Phyllurine C10H10N2O3 206.069142 NA MeJP NA NA +MJ007797 [(2-Acetylphenyl)amino]iminoacetic acid C10H10N2O3 206.069142 NA MeJP NA NA +MJ007798 4-tert-Butyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane; 1-Oxide C8H15O4P 206.070795 NA MeJP NA NA +PJ000040 GM C7H14N2O3S 206.0725 NA PeJP NA NA +CJpos0544 Cinnamoylglycine [(M+H)]+ (13C) C1013CH12NO3 206.076675 C18rt(min)=7.03 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0544 Cinnamoylglycine [(M+H)]+ (13C) C1013CH12NO3 206.076675 C18rt(min)=7.03 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJneg0367 Cinnamoylglycine [(M-H)]- (13C) C1013CH10NO3 206.077825 C18rt(min)=7.03 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0367 Cinnamoylglycine [(M-H)]- (13C) C1013CH10NO3 206.077825 C18rt(min)=7.03 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ007799 5,6,7,8-Tetrahydro-4-methylquinoline-8-carbothiamide C11H14N2S 206.087769 NA MeJP NA NA +MJ007800 Pyrantel C11H14N2S 206.087769 NA MeJP NA NA +MJ007801 Tiquinamide C11H14N2S 206.087769 NA MeJP NA NA +C07409 Pyrantel C11H14N2S 206.0878 NA KEGG NA NA +MJ007802 2,6-Diamino-3-hydroxyheptanedioic acid C7H14N2O5 206.090271 NA MeJP NA NA +MJ007803 5-Amino-2-(aminomethyl)-2-hydroxyhexanedioic acid C7H14N2O5 206.090271 NA MeJP NA NA +MetaCyc01903 meso-2,6-diamino-3-hydroxypimelate [meso-diamino-3-hydroxypimelate;] C7H14N2O5 206.090272 NA metacyc NA NA +PJ000041 ST C7H14N2O5 206.0903 NA PeJP NA NA +MJ007804 1-(2,5-Dihydroxyphenyl)-3-methyl-2-buten-1-one; 5-Me ether C12H14O3 206.094294 NA MeJP NA NA +MJ007805 2,3-Dihydro-3-hydroxy-5-hydroxymethyl-2-isopropenylbenzofuran C12H14O3 206.094294 NA MeJP NA NA +MJ007806 2,3-Dihydro-6-hydroxy-2,2-dimethyl-4H-1-benzopyran-4-one; Me ether C12H14O3 206.094294 NA MeJP NA NA +MJ007807 2,5-Dihydroxy-4-(1-methylethenyl)benzaldehyde; Di-Me ether C12H14O3 206.094294 NA MeJP NA NA +MJ007808 2-Methoxy-4-(2-propenyl)phenol; Ac C12H14O3 206.094294 NA MeJP NA NA +MJ007809 2-Methoxy-5-(2-propenyl)phenol; Ac C12H14O3 206.094294 NA MeJP NA NA +MJ007810 2-Methyl-2-butene-1,4-diol, 4-Benzoyl C12H14O3 206.094294 NA MeJP NA NA +MJ007811 2-Methyl-2H-1-benzopyran-5,7-diol, Di-Me ether C12H14O3 206.094294 NA MeJP NA NA +MJ007812 3,4-Dihydro-5-(1-hydroxy-2-phenylethyl)-2(5H)-furanone C12H14O3 206.094294 NA MeJP NA NA +MJ007813 3,4-Dihydro-8-hydroxy-3,5,7-trimethyl-1H-2-benzopyran-1-one C12H14O3 206.094294 NA MeJP NA NA +MJ007814 3,4-Dihydroxybenzaldehyde; 4-O-(3-Methyl-2-butenyl) C12H14O3 206.094294 NA MeJP NA NA +MJ007815 3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-Me ether, 1-Ac C12H14O3 206.094294 NA MeJP NA NA +MJ007816 3-(4-Hydroxyphenyl)-2-propenoic acid, Me ether, Et ester C12H14O3 206.094294 NA MeJP NA NA +MJ007817 3-Butyl-1(3H)-isobenzofuranone, 7-Hydroxy C12H14O3 206.094294 NA MeJP NA NA +MJ007818 3-Butyl-4-hydroxy-1(3H)-isobenzofuranone C12H14O3 206.094294 NA MeJP NA NA +MJ007819 4-Hydroxy-3-(3-methyl-2-butenyl)benzoic acid C12H14O3 206.094294 NA MeJP NA NA +MJ007820 4-Hydroxybenzaldehyde; O-(4-Hydroxy-3-methyl-2-butenyl)(Z-) C12H14O3 206.094294 NA MeJP NA NA +MJ007821 4-Prenyloxybenzoic acid C12H14O3 206.094294 NA MeJP NA NA +MJ007822 5,6-Dihydro-6-(5-hydroxy-1,3-heptadienyl)-2H-pyran-2-one, 5'-Ketone C12H14O3 206.094294 NA MeJP NA NA +MJ007823 5-Hydroxy-?,?-dimethyl-2-benzofuranmethanol; 5-Me ether C12H14O3 206.094294 NA MeJP NA NA +MJ007824 6-Hydroxy-11,12,13-trinor-1(10),7-eremophiladiene-2,9-dione C12H14O3 206.094294 NA MeJP NA NA +MJ007825 Furofenac C12H14O3 206.094294 NA MeJP NA NA +MJ007826 Ligustilide; 6,7-Epoxide C12H14O3 206.094294 NA MeJP NA NA +MJ007827 Ligustilide; 9-Hydroxy C12H14O3 206.094294 NA MeJP NA NA +MJ007828 Trisnorcybrodolide C12H14O3 206.094294 NA MeJP NA NA +MJ007829 p-Mentha-1,3,5,8(10)-tetraene-3,9-diol; 9-Ac C12H14O3 206.094294 NA MeJP NA NA +MetaCyc01904 benzyl-2-methyl-3-oxobutanoate [2-methyl-3-oxo-butanoic acid benzyl ester;] C12H14O3 206.094294 NA metacyc NA NA +C04000 Benzyl 2-methyl-3-oxobutanoate C12H14O3 206.0943 NA KEGG NA NA +C04001 Blood coagulation Factor VIIIa C12H14O3 206.0943 NA KEGG NA NA +C10476 p-Methoxycinnamic acid ethyl ester C12H14O3 206.0943 NA KEGG NA NA +C12458 3-Dimethylallyl-4-hydroxybenzoate C12H14O3 206.0943 NA KEGG NA NA +C14567 Acetyleugenol C12H14O3 206.0943 NA KEGG NA NA +CJpos0545 Tryptophan isomer [(M+H)]+ (13C2) C913C2H13N2O2 206.096075 C18rt(min)=5.26 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0545 Tryptophan isomer [(M+H)]+ (13C2) C913C2H13N2O2 206.096075 C18rt(min)=5.26 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +HMDB00569 Deoxypyridinoline C18H28N4O7 206.0979005 MH2+ Inhouse_peptide NA peptide +8067 synthetic peptide RHT 206.103 MH2+ Inhouse_peptide NA peptide +C07499 Phenylethylmalonamide C11H14N2O2 206.1055 NA KEGG NA NA +C12590 Pheneturide C11H14N2O2 206.1055 NA KEGG NA NA +C12591 Transferred to D01191 C11H14N2O2 206.1055 NA KEGG NA NA +C12592 Transferred to D01192 C11H14N2O2 206.1055 NA KEGG NA NA +C12593 Transferred to D01193 C11H14N2O2 206.1055 NA KEGG NA NA +C12594 Transferred to D01194 C11H14N2O2 206.1055 NA KEGG NA NA +C12595 Transferred to D01195 C11H14N2O2 206.1055 NA KEGG NA NA +C12596 Transferred to D01196 C11H14N2O2 206.1055 NA KEGG NA NA +C12597 Transferred to D01197 C11H14N2O2 206.1055 NA KEGG NA NA +C12598 Transferred to D01198 C11H14N2O2 206.1055 NA KEGG NA NA +MJ007830 Cytisine, Nb-Oxide C11H14N2O2 206.105527 NA MeJP NA NA +MJ007831 Donaxaridine C11H14N2O2 206.105527 NA MeJP NA NA +MJ007832 Pheneturide C11H14N2O2 206.105527 NA MeJP NA NA +MJ007833 Vasicol C11H14N2O2 206.105527 NA MeJP NA NA +MJ007834 Diptocarpaine C8H18N2O2S 206.108898 NA MeJP NA NA +2821 PEP inhibitor TPPV 206.1095 MH2+ Inhouse_peptide NA peptide +C14761 trans,trans-1,4-Diphenyl-1,3-butadiene C16H14 206.1096 NA KEGG NA NA +MJ007835 6-Deoxyaltrose; ?-D-Pyranose-form, Me glycoside, 2,3-di-Me C9H18O5 206.115423 NA MeJP NA NA +C17575 Actinamine C8H18N2O4 206.1267 NA KEGG NA NA +7667 ACE inhibitor from k-CN (94-97) IAIP 206.1285 MH2+ Inhouse_peptide NA peptide +HMDB01925 Ibuprofen C13H18O2 206.130676 NA HMDB2010 NA NA +MJ007836 2,3,4,5-Tetrahydro-2,5'-dimethyl-5-(1-methylethenyl)-2,2'-bifuran C13H18O2 206.130679 NA MeJP NA NA +MJ007837 2-(1,3-Butadienyl)tetrahydro-4-(1,3-pentadienyl)-3-furanol C13H18O2 206.130679 NA MeJP NA NA +MJ007838 2-(4-Hydroxyphenyl)ethanol; 4'-O-(3-Methyl-2-butenyl) C13H18O2 206.130679 NA MeJP NA NA +MJ007839 2-Hydroxy-5-methyl-1-phenyl-3-hexanone C13H18O2 206.130679 NA MeJP NA NA +MJ007840 5-Hydroxy-7-phenyl-3-heptanone C13H18O2 206.130679 NA MeJP NA NA +MJ007841 6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one C13H18O2 206.130679 NA MeJP NA NA +MJ007842 Aureonitol C13H18O2 206.130679 NA MeJP NA NA +MJ007843 Eremopetasinorol; 3-Ketone C13H18O2 206.130679 NA MeJP NA NA +MJ007844 Ibuprofen C13H18O2 206.130679 NA MeJP NA NA +MJ007845 Qinghaosu I C13H18O2 206.130679 NA MeJP NA NA +HMDB01925 Ibuprofen C13H18O2 206.13068 http://www.hmdb.ca/metabolites/HMDB01925 HMDB NA NA +HMDB01925 Ibuprofen C13H18O2 206.13068 HMDB01925 PFEM_hmdb_metabocards_official NA NA +C01588 Ibuprofen C13H18O2 206.1307 NA KEGG NA NA +C02185 Plastoquinol-1 C13H18O2 206.1307 NA KEGG NA NA +C02186 Prolyl-peptide C7H11N2O3R 206.1307 NA KEGG NA NA +C02188 Protein lysine C7H13N3O2R2 206.1307 NA KEGG NA NA +C02189 Protein serine C4H6N2O3R2 206.1307 NA KEGG NA NA +C07485 Oxotremorine C12H18N2O 206.1419 NA KEGG NA NA +C11005 Isoproturon C12H18N2O 206.1419 NA KEGG NA NA +C16561 Monoethylglycinexylidide C12H18N2O 206.1419 NA KEGG NA NA +MJ007846 1',3,4,4',5,5',6,6'-Octahydro-2,3'-bipyridine; N-Ac C12H18N2O 206.141913 NA MeJP NA NA +MJ007847 Oxotremorine C12H18N2O 206.141913 NA MeJP NA NA +MJ007848 Pivhydrazine C12H18N2O 206.141913 NA MeJP NA NA +MJ007849 3,7-Dimethyl-1,2,6,7-octanetetrol C10H22O4 206.151809 NA MeJP NA NA +MJ007850 2-(2,6-Dimethylphenyl)-N,N-dimethylhydrazinecarboximidamide C11H18N4 206.153146 NA MeJP NA NA +MJ007851 1,10-Epoxy-15-nor-4-bicyclogermacrene C14H22O 206.167065 NA MeJP NA NA +MJ007852 11-Nor-8-drimen-7-one C14H22O 206.167065 NA MeJP NA NA +MJ007853 13-Nor-1,3-elemadien-11-one C14H22O 206.167065 NA MeJP NA NA +MJ007854 13-Nor-4(15)-oppositen-11-one C14H22O 206.167065 NA MeJP NA NA +MJ007855 13-Nor-6-eudesmen-11-one C14H22O 206.167065 NA MeJP NA NA +MJ007856 13-Nor-6-eudesmen-8-one C14H22O 206.167065 NA MeJP NA NA +MJ007857 14-Nor-3(15)-caryophyllen-6-one C14H22O 206.167065 NA MeJP NA NA +MJ007858 15-Nor-2-acoren-4-one C14H22O 206.167065 NA MeJP NA NA +MJ007859 15-Nor-3-gymnomitranone C14H22O 206.167065 NA MeJP NA NA +MJ007860 3-Methyl-6-(1-methyl-5-hexenyl)-2-cyclohexen-1-one C14H22O 206.167065 NA MeJP NA NA +MJ007861 5(1?10)-Abeo-15-nor-3-patchoulen-1-ol C14H22O 206.167065 NA MeJP NA NA +MJ007862 5,7,9,11-Tetradecatetraen-1-ol C14H22O 206.167065 NA MeJP NA NA +MJ007863 ?-Irone C14H22O 206.167065 NA MeJP NA NA +MJ007864 Ambraaldehyde C14H22O 206.167065 NA MeJP NA NA +MJ007865 Inflatenone C14H22O 206.167065 NA MeJP NA NA +MJ007866 Norbourbonone C14H22O 206.167065 NA MeJP NA NA +MJ007867 Rudbeckianone C14H22O 206.167065 NA MeJP NA NA +MJ007868 ?-Irone C14H22O 206.167065 NA MeJP NA NA +C09690 alpha-Irone C14H22O 206.1671 NA KEGG NA NA +C11350 (+)-trans-alpha-Irone C14H22O 206.1671 NA KEGG NA NA +C14132 4-Octylphenol C14H22O 206.1671 NA KEGG NA NA +C14205 4-tert-Octylphenol C14H22O 206.1671 NA KEGG NA NA +MJ007869 2,4,10-Farnesatriene C15H26 206.20345 NA MeJP NA NA +MJ007870 2,6,10-Farnesatriene C15H26 206.20345 NA MeJP NA NA +MJ007871 4-Muurolene C15H26 206.20345 NA MeJP NA NA +MJ007872 8(12)-Drimene C15H26 206.20345 NA MeJP NA NA +3763 NA LNPA 206.60795 MH2+ Inhouse_peptide NA peptide +8106 peptide derived from dried bonito PKAV 206.6255 MH2+ Inhouse_peptide NA peptide +MJ007873 2-Bromo-2-ethyl-3-methylbutanoic acid, Amide C7H14BrNO 207.025876 NA MeJP NA NA +C11628 p-Aminobenzamidine dihydrochloride C7H9N3 207.033 NA KEGG NA NA +MJ007874 2-(2-Hydroxyphenyl)-4-thiazolecarboxylic acid; Alcohol C10H9NO2S 207.035399 NA MeJP NA NA +MJ007875 2-Hydroxy-2-(hydroxyaminocarbonyl)pentanedioic acid C6H9NO7 207.037901 NA MeJP NA NA +MJ007876 2-Amino-4-hydroxy-6-pteridinecarboxylic acid C7H5N5O3 207.039239 NA MeJP NA NA +MJ007877 3,6-Dihydro-6-methyl-5-(4-pyridinyl)-2H-1,3,4-thiadiazin-2-one C9H9N3OS 207.046632 NA MeJP NA NA +MJ007878 1-(2,3-Dihydro-2-oxo-3-furanyl)-5-(hydroxymethyl)-1H-pyrrole-2-carboxaldehyde C10H9NO4 207.053157 NA MeJP NA NA +MJ007879 Murrayaculatine C10H9NO4 207.053157 NA MeJP NA NA +MJ007880 4-(2-Aminophenyl)-2,4-dioxobutanoate C10H9NO4 207.053157 NA MeJP NA NA +MJ007881 2-Formaminobenzoylacetate C10H9NO4 207.053157 NA MeJP NA NA +MetaCyc01905 4-(2-aminophenyl)-2,4-dioxobutanoate [] C10H9N1O4 207.053158 NA metacyc NA NA +HMDB00978 4-(2-Aminophenyl)-2,4-dioxobutanoic acid C10H9NO4 207.05316 http://www.hmdb.ca/metabolites/HMDB00978 HMDB NA NA +HMDB00978 4-(2-Aminophenyl)-2,4-dioxobutanoic acid C10H9NO4 207.05316 HMDB00978 PFEM_hmdb_metabocards_official NA NA +HMDB00978 4-(2-Aminophenyl)-2,4-dioxobutanoic acid C10H9NO4 207.053162 NA HMDB2010 NA NA +C01252 4-(2-Aminophenyl)-2,4-dioxobutanoate C10H9NO4 207.0532 NA KEGG NA NA +C01253 ADP-D-ribosyl-[dinitrogen reductase] C22H34N10O15P2R2 207.0532 NA KEGG NA NA +C05835 2-Formaminobenzoylacetate C10H9NO4 207.0532 NA KEGG NA NA +C12466 3-Amino-4,7-dihydroxy-8-methylcoumarin C10H9NO4 207.0532 NA KEGG NA NA +C12467 2-Hydroxy-beta-keto-L-tyrosyl-[pcp] C9H8NO4SR 207.0532 NA KEGG NA NA +C14801 1-Nitro-5,6-dihydroxy-dihydronaphthalene C10H9NO4 207.0532 NA KEGG NA NA +C14876 S-(2-Hydroxyethyl)-N-acetyl-L-cysteine C7H13NO4S 207.0565 NA KEGG NA NA +MJ007882 3-[(2-Amino-2-carboxyethyl)thio]butanoic acid C7H13NO4S 207.056528 NA MeJP NA NA +MJ007883 Isobuteine C7H13NO4S 207.056528 NA MeJP NA NA +C10902 Methyl 5-hydroxy-2-benzimidazole carbamate C9H9N3O3 207.0644 NA KEGG NA NA +C16624 Isoniazid pyruvate C9H9N3O3 207.0644 NA KEGG NA NA +C16605 2H-Dibenz[b,f]azepin-2-one C14H9NO 207.0684 NA KEGG NA NA +MJ007884 Niranin; 2',3'-Didehydro (E-) C11H13NOS 207.071784 NA MeJP NA NA +MJ007885 Niranin; 2',3'-Didehydro (Z-) C11H13NOS 207.071784 NA MeJP NA NA +CJpos0546 9-Methylxanthine [(M+H)+(CH3CN)]+ C8H10N5O2 207.075075 C18rt(min)=4.3 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0546 9-Methylxanthine [(M+H)+(CH3CN)]+ C8H10N5O2 207.075075 C18rt(min)=4.3 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +HMDB00985 Dihydrolipoamide C8H17NOS2 207.07515 NA HMDB2010 NA NA +MJ007886 Dihydrolipoamide C8H17NOS2 207.075155 NA MeJP NA NA +MetaCyc01906 dihydrolipoamide [] C8H17N1O1S2 207.075156 NA metacyc NA NA +HMDB00985 Dihydrolipoamide C8H17NOS2 207.07516 http://www.hmdb.ca/metabolites/HMDB00985 HMDB NA NA +HMDB00985 Dihydrolipoamide C8H17NOS2 207.07516 HMDB00985 PFEM_hmdb_metabocards_official NA NA +C00579 Dihydrolipoamide C8H17NOS2 207.0752 NA KEGG NA NA +MJ007887 6-Acetyl-2-amino-7,8-dihydro-4(3H)-pteridinone C8H9N5O2 207.075624 NA MeJP NA NA +MJ007888 6-Amino-2-hydroxypurine; 1-Me, 6-N-Ac C8H9N5O2 207.075624 NA MeJP NA NA +MJ007889 6-Amino-9H-purine-9-propanoic acid C8H9N5O2 207.075624 NA MeJP NA NA +CJpos0547 Cinnamoylglycine [(M+H)]+ (18O) C11H12NO218O 207.077575 C18rt(min)=7.03 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0547 Cinnamoylglycine [(M+H)]+ (18O) C11H12NO218O 207.077575 C18rt(min)=7.03 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +C15549 Anthocyanin C15H11O 207.081 NA KEGG NA NA +CJpos0548 N-Acetylphenylalanine [(M+H)]+ C11H14NO3 207.088975 C18rt(min)=6.6 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0548 N-Acetylphenylalanine [(M+H)]+ C11H14NO3 207.088975 C18rt(min)=6.6 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C03519 N-Acetyl-L-phenylalanine C11H13NO3 207.0895 NA KEGG NA NA +C05620 N-Acetyl-D-phenylalanine C11H13NO3 207.0895 NA KEGG NA NA +C09933 Cantleyine C11H13NO3 207.0895 NA KEGG NA NA +C09986 Rhexifoline C11H13NO3 207.0895 NA KEGG NA NA +HMDB00512 N-Acetyl-L-phenylalanine C11H13NO3 207.089539 NA HMDB2010 NA NA +HMDB00860 Phenylpropionylglycine C11H13NO3 207.089539 NA HMDB2010 NA NA +HMDB02042 3-Phenylpropionylglycine C11H13NO3 207.089539 NA HMDB2010 NA NA +HMDB00512 N-Acetyl-L-phenylalanine C11H13NO3 207.08954 http://www.hmdb.ca/metabolites/HMDB00512 HMDB NA NA +HMDB00860 Phenylpropionylglycine C11H13NO3 207.08954 http://www.hmdb.ca/metabolites/HMDB00860 HMDB NA NA +HMDB02042 3-Phenylpropionylglycine C11H13NO3 207.08954 http://www.hmdb.ca/metabolites/HMDB02042 HMDB NA NA +HMDB00512 N-Acetyl-L-phenylalanine C11H13NO3 207.08954 HMDB00512 PFEM_hmdb_metabocards_official NA NA +HMDB00860 Phenylpropionylglycine C11H13NO3 207.08954 HMDB00860 PFEM_hmdb_metabocards_official NA NA +HMDB02042 3-Phenylpropionylglycine C11H13NO3 207.08954 HMDB02042 PFEM_hmdb_metabocards_official NA NA +MJ007890 1,2,3,4-Tetrahydro-6-hydroxy-1-methyl-3-isoquinolinecarboxylic acid C11H13NO3 207.089543 NA MeJP NA NA +MJ007891 1-(1H-Indol-3-yl)-1,2,3-propanetriol C11H13NO3 207.089543 NA MeJP NA NA +MJ007892 1-(2-Acetamidophenyl)-2-hydroxy-1-propanone C11H13NO3 207.089543 NA MeJP NA NA +MJ007893 3,4-Dihydro-6,7-dihydroxy-1(2H)-isoquinolinone; 6-Me ether, N-Me C11H13NO3 207.089543 NA MeJP NA NA +MJ007894 3,4-Dihydro-6,7-dihydroxy-1(2H)-isoquinolinone; Di-Me ether C11H13NO3 207.089543 NA MeJP NA NA +MJ007895 3,4-Dihydro-8-hydroxy-6,7-dimethoxyisoquinoline C11H13NO3 207.089543 NA MeJP NA NA +MJ007896 4-(2-Hydroxybenzoyl)morpholine C11H13NO3 207.089543 NA MeJP NA NA +MJ007897 Cantleyine C11H13NO3 207.089543 NA MeJP NA NA +MJ007898 Gentiananine C11H13NO3 207.089543 NA MeJP NA NA +MJ007899 Hupeol C11H13NO3 207.089543 NA MeJP NA NA +MJ007900 Hydrastinine C11H13NO3 207.089543 NA MeJP NA NA +MJ007901 Lepiotin A; 5-Me ether C11H13NO3 207.089543 NA MeJP NA NA +MJ007902 Rhexifoline C11H13NO3 207.089543 NA MeJP NA NA +MJ007903 Thurfyl nicotinate C11H13NO3 207.089543 NA MeJP NA NA +MJ007904 Toloxatone C11H13NO3 207.089543 NA MeJP NA NA +MJ007905 N-Acetyl-D-phenylalanine C11H13NO3 207.089543 NA MeJP NA NA +MJ007906 N-Acetyl-L-phenylalanine C11H13NO3 207.089543 NA MeJP NA NA +MetaCyc01907 N-acetyl-L-phenylalanine [] C11H13N1O3 207.089543 2018-61-3 metacyc NA NA +CJneg0368 2-acetamido-4-methylphenyl acetate [(M-H)]- C11H12NO3 207.090125 C18rt(min)=6.75 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0369 N-Acetylphenylalanine [(M-H)]- C11H12NO3 207.090125 C18rt(min)=6.6 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0368 2-acetamido-4-methylphenyl acetate [(M-H)]- C11H12NO3 207.090125 C18rt(min)=6.75 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0369 N-Acetylphenylalanine [(M-H)]- C11H12NO3 207.090125 C18rt(min)=6.6 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ007907 Felinine C8H17NO3S 207.092914 NA MeJP NA NA +MJ007908 Guabenxan C10H13N3O2 207.100776 NA MeJP NA NA +MJ007909 Guanoxan C10H13N3O2 207.100776 NA MeJP NA NA +HMDB11603 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone C10H13N3O2 207.100784 NA HMDB2010 NA NA +C15418 5-(alpha-Phenylethyl)semioxamazide C10H13N3O2 207.1008 NA KEGG NA NA +C16453 NNK (carcinogen) C10H13N3O2 207.1008 NA KEGG NA NA +3531 ACE inhibitor from as1-CN PLW 207.1075 MH2+ Inhouse_peptide NA peptide +8044 synthetic peptide PWI 207.1075 MH2+ Inhouse_peptide NA peptide +8045 synthetic peptide PWL 207.1075 MH2+ Inhouse_peptide NA peptide +8187 peptide from buckwheat WPL 207.1075 MH2+ Inhouse_peptide NA peptide +MJ007910 Miglitol C8H17NO5 207.110672 NA MeJP NA NA +C02852 N-Ethylglycocyamine C8H17NO5 207.1107 NA KEGG NA NA +C02853 N-Formyl amino acid C3H4NO3R 207.1107 NA KEGG NA NA +C07708 Miglitol C8H17NO5 207.1107 NA KEGG NA NA +C12067 2-Deoxy-2-dimethylamino-alpha-D-Glucose C8H17NO5 207.1107 NA KEGG NA NA +MJ007911 Heteromine C; N2-Me C9H14N5O(+) 207.11201 NA MeJP NA NA +MJ007912 Heteromine D C9H14N5O(+) 207.11201 NA MeJP NA NA +C14168 3-(Dimethylamino)propyl benzoate C12H17NO2 207.1259 NA KEGG NA NA +C14425 2-sec-Butylphenyl N-methylcarbamate C12H17NO2 207.1259 NA KEGG NA NA +MJ007913 1,2,3,4-Tetrahydro-6,7-dimethoxy-1,2-dimethylisoquinoline, O-De-Me C12H17NO2 207.125928 NA MeJP NA NA +MJ007914 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methylisoquinoline C12H17NO2 207.125928 NA MeJP NA NA +MJ007915 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinoline C12H17NO2 207.125928 NA MeJP NA NA +MJ007916 1,2,3,4-Tetrahydro-7-hydroxy-6-methoxy-1-methylisoquinoline, N-Me C12H17NO2 207.125928 NA MeJP NA NA +MJ007917 2-(Pentyloxy)benzamide C12H17NO2 207.125928 NA MeJP NA NA +MJ007918 4'-tert-Butoxyacetanilide C12H17NO2 207.125928 NA MeJP NA NA +MJ007919 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridinone C12H17NO2 207.125928 NA MeJP NA NA +MJ007920 Bellendine, 2,3-Dihydro C12H17NO2 207.125928 NA MeJP NA NA +MJ007921 Isobellendine, 5?,11?-Dihydro C12H17NO2 207.125928 NA MeJP NA NA +MJ007922 Phenylalanine, N,N,N-Tri-Me, betaine C12H17NO2 207.125928 NA MeJP NA NA +MJ007923 Corypalline; N-Me C12H18NO2(+) 207.125928 NA MeJP NA NA +MJ007924 Alchornine C11H17N3O 207.137162 NA MeJP NA NA +MJ007925 Meobentine C11H17N3O 207.137162 NA MeJP NA NA +MJ007926 Triacsin B; 6,9-Dihydro C11H17N3O 207.137162 NA MeJP NA NA +MJ007927 Triacsin B; 8,9-Dihydro C11H17N3O 207.137162 NA MeJP NA NA +C09912 Arenaine C11H17N3O 207.1372 NA KEGG NA NA +C10567 Alchornine C11H17N3O 207.1372 NA KEGG NA NA +C09872 Luciduline C13H21NO 207.1623 NA KEGG NA NA +MJ007928 Hippocasine; Natural-form, 3a-Epimer, N-oxide C13H21NO 207.162314 NA MeJP NA NA +MJ007929 Hippocasine; Natural-form, N-Oxide C13H21NO 207.162314 NA MeJP NA NA +MJ007930 Luciduline C13H21NO 207.162314 NA MeJP NA NA +MJ007931 Polycanthisine C13H21NO 207.162314 NA MeJP NA NA +MJ007932 1-(1-Adamantyl)-2-methyl-2-propylamine C14H25N 207.198699 NA MeJP NA NA +MJ007933 1-Ethyl-4-(2-propenyl)quinolizidine C14H25N 207.198699 NA MeJP NA NA +MJ007934 3,5,13-Tetradecatrien-2-amine C14H25N 207.198699 NA MeJP NA NA +MJ007935 8-Methyl-5-(4-pentenyl)indolizidine C14H25N 207.198699 NA MeJP NA NA +7939 synthetic peptide YYA 207.5815 MH2+ Inhouse_peptide NA peptide +7953 synthetic peptide AYY 207.5815 MH2+ Inhouse_peptide NA peptide +7957 synthetic peptide YAY 207.5815 MH2+ Inhouse_peptide NA peptide +8038 synthetic peptide PHY 207.5865 MH2+ Inhouse_peptide NA peptide +8046 synthetic peptide PWN 207.58695 MH2+ Inhouse_peptide NA peptide +7991 synthetic peptide LHF 207.605 MH2+ Inhouse_peptide NA peptide +C15455 Sodium molybdate MoO4 207.8646 NA KEGG NA NA +C12834 2,5-Dichloro-carboxymethylenebut-2-en-4-olide C6H2Cl2O4 207.933 NA KEGG NA NA +C06696 Lead Pb 207.9766 NA KEGG NA NA +MetaCyc01908 Pb2+ [] PB1 207.976636 NA metacyc NA NA +HMDB04628 Lead Pb 207.97665 http://www.hmdb.ca/metabolites/HMDB04628 PFEM_hmdb_metabocards_urine NA urine +HMDB04628 Lead Pb 207.97665 http://www.hmdb.ca/metabolites/HMDB04628 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04628 Lead Pb 207.97665 http://www.hmdb.ca/metabolites/HMDB04628 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04628 Lead Pb 207.97665 http://www.hmdb.ca/metabolites/HMDB04628 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04628 Lead Pb 207.97665 http://www.hmdb.ca/metabolites/HMDB04628 HMDB NA NA +HMDB04628 Lead Pb 207.97665 http://www.hmdb.ca/metabolites/HMDB04628 PFEM_hmdb_metabocards_blood NA blood +HMDB04628 Lead Pb 207.97665 HMDB04628 PFEM_hmdb_metabocards_official NA NA +HMDB04628 Lead [Pb]2+ 207.976654 NA HMDB2010 NA NA +MJ007936 Stipitatonic acid C9H4O6 208.000787 NA MeJP NA NA +MetaCyc01909 stipitatonate [] C9H4O6 208.000788 606-39-3 metacyc NA NA +C02080 Stipitatonate C9H4O6 208.0008 NA KEGG NA NA +MJ007937 5-Acetyl-2,2'-bithiophene C10H8OS2 208.001656 NA MeJP NA NA +MJ007938 [3-(Methylsulfinyl)-1-propenyl] 2-propenyl disulfide C7H12OS3 208.005027 NA MeJP NA NA +MJ007939 Antienite C9H8N2S2 208.012889 NA MeJP NA NA +C16201 1-Naphthalenesulfonic acid C10H8O3S 208.0194 NA KEGG NA NA +C16202 2-Naphthalenesulfonic acid C10H8O3S 208.0194 NA KEGG NA NA +MJ007940 1,2-Dihydroxy-1,2,3-propanetricarboxylic acid C6H8O8 208.021917 NA MeJP NA NA +CJneg0370 Malonic acid [(2M-H)]- C6H7O8 208.022425 C18rt(min)=1.04 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0370 Malonic acid [(2M-H)]- C6H7O8 208.022425 C18rt(min)=1.04 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ007941 Ulosantoin C5H9N2O5P 208.024907 NA MeJP NA NA +MJ007942 1,3-Dihydro-4-hydroxy-3-oxo-1-isobenzofuranacetic acid C10H8O5 208.037173 NA MeJP NA NA +MJ007943 3,4,8-Trihydroxy-2H-1-benzopyran-2-one; 4-Me ether C10H8O5 208.037173 NA MeJP NA NA +MJ007944 3,7,8-Trihydroxy-2H-1-benzopyran-2-one; 3-Me ether C10H8O5 208.037173 NA MeJP NA NA +MJ007945 3-Acetyl-5,7-dihydroxy-1(3H)-isobenzofuranone C10H8O5 208.037173 NA MeJP NA NA +MJ007946 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 7-Me ether C10H8O5 208.037173 NA MeJP NA NA +MJ007947 5,7-Dihydroxy-2-(hydroxymethyl)-4H-1-benzopyran-4-one C10H8O5 208.037173 NA MeJP NA NA +MJ007948 6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-Me ether C10H8O5 208.037173 NA MeJP NA NA +MJ007949 6,7,8-Trihydroxy-3-methyl-1H-2-benzopyran-1-one C10H8O5 208.037173 NA MeJP NA NA +MJ007950 6,8-Dihydroxy-3-hydroxymethyl-1H-2-benzopyran-1-one C10H8O5 208.037173 NA MeJP NA NA +MJ007951 7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one C10H8O5 208.037173 NA MeJP NA NA +C09265 Fraxetin C10H8O5 208.0372 NA KEGG NA NA +MetaCyc01910 2-methylamine-furan [] C6H11N1O5P1 208.037484 NA metacyc NA NA +C17210 2-(2'-Methylthio)ethylmalic acid C7H12O5S 208.0405 NA KEGG NA NA +C17212 3-(2'-Methylthio)ethylmalic acid C7H12O5S 208.0405 NA KEGG NA NA +MetaCyc01911 3-(2'-methylthio)ethylmalic-acid [] C7H12O5S1 208.040544 NA metacyc NA NA +MetaCyc01912 2-(2'-methylthio)ethylmalic-acid [] C7H12O5S1 208.040544 NA metacyc NA NA +MJ007952 1-Methylpropyl 3-(methylthio)-2-propenyl disulfide C8H16S3 208.041412 NA MeJP NA NA +MJ007953 3,5-Dialkyl-1,2,4-trithiolanes; 3-Ethyl-5-(2-methylpropyl)-1,2,4-trithiolane C8H16S3 208.041412 NA MeJP NA NA +MJ007954 Lanthionine C6H12N2O4S 208.051777 NA MeJP NA NA +MetaCyc01913 lanthionine [L-alanine, 3,3'-thiobis-;L-alanine, 3,3'-thiodi-;L-lanthionine;β,β'-thiodi-L-alanine;sulfide, bis(2-amino-2-carboxyethyl), (R-(R*,R*))-;L-cysteine, S-((2R)-2-amino-2-carboxyethyl)-;L-cysteine, S-(2-amino-2-carboxyethyl)-, (R)-;] C6H12N2O4S1 208.051778 NA metacyc NA NA +PJ000042 SC C6H12N2O4S 208.0518 NA PeJP NA NA +C03243 9,10-Phenanthroquinone C14H8O2 208.0524 NA KEGG NA NA +C03245 ADP-D-ribosyl-acceptor C14H8O2 208.0524 NA KEGG NA NA +C11445 4-(1,2-Epoxyethyl)-8,9-epoxy-enediyne C14H8O2 208.0524 NA KEGG NA NA +C16207 9,10-Anthraquinone C14H8O2 208.0524 NA KEGG NA NA +MJ007955 9,10-Anthraquinone C14H8O2 208.052429 NA MeJP NA NA +MJ007956 3-(Methylthio)-2-propenoic acid, Benzyl ester C11H12O2S 208.0558 NA MeJP NA NA +MJ007957 3-[5-(1-Propenyl)-2-thienyl]-2-propenoic acid, Me ester C11H12O2S 208.0558 NA MeJP NA NA +MJ007958 5-(1-Propynyl)-2-thiophenepropanoic acid; Me ester C11H12O2S 208.0558 NA MeJP NA NA +MJ007959 4-C-Methylglucuronic acid C7H12O7 208.058302 NA MeJP NA NA +MJ007960 Galacturonic acid, Me ester C7H12O7 208.058302 NA MeJP NA NA +MJ007961 Glucuronic acid, 4-Me C7H12O7 208.058302 NA MeJP NA NA +MetaCyc01914 methyl-β-D-glucuronide [methylglucopyranosiduronic acid;methyl-β-D-glucopyranosiduronic acid;methyl β-glucuronide;] C7H12O7 208.058303 4356-84-7 metacyc NA NA +MetaCyc01915 1-O-methyl-β-D-glucuronate [1-O-methyl-β-D-glucuronic acid;] C7H12O7 208.058303 134253-42-2 metacyc NA NA +MetaCyc01916 dihydrolipoate [Dihydrolipoic acid;Dihydrothioctic acid;DHLP;] C8H16O2S2 208.059171 462-20-4 metacyc NA NA +HMDB12210 Dihydrolipoate C8H16O2S2 208.059174 NA HMDB2010 NA NA +C02147 Dihydrolipoate C8H16O2S2 208.0592 NA KEGG NA NA +C02148 Divalent metal C8H16O2S2 208.0592 NA KEGG NA NA +MJ007962 3,5-Dimethyl-2-(3-pyridinyl)-4-thiazolidinone C10H12N2OS 208.067033 NA MeJP NA NA +MJ007963 2-Amino-3,4,5-trihydroxypentanoic acid, 5-Carbamate C6H12N2O6 208.069536 NA MeJP NA NA +MJ007964 1,2-Ethanediol; 4-Hydroxycinnamoyl(E-) C11H12O4 208.073558 NA MeJP NA NA +MJ007965 1,2-Ethanediol; 4-Hydroxycinnamoyl(Z-) C11H12O4 208.073558 NA MeJP NA NA +MJ007966 1-(2,3,6-Trihydroxyphenyl)-3-penten-1-one C11H12O4 208.073558 NA MeJP NA NA +MJ007967 1-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3'-Me, 4',5'-methylene ether C11H12O4 208.073558 NA MeJP NA NA +MJ007968 2,3-Dihydroxy-8-undecene-4,6-diynoic acid C11H12O4 208.073558 NA MeJP NA NA +MJ007969 2-Methoxy-6-(1-methyl-2-oxopropyl)benzoquinone C11H12O4 208.073558 NA MeJP NA NA +MJ007970 3,4-Dihydro-3,4,8-trihydroxy-3-methyl-1(2H)-naphthalenone C11H12O4 208.073558 NA MeJP NA NA +MJ007971 3,4-Dihydro-5,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, 5-Me ether C11H12O4 208.073558 NA MeJP NA NA +MJ007972 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-1H-2-benzopyran-1-one C11H12O4 208.073558 NA MeJP NA NA +MJ007973 3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, 6-Me ether C11H12O4 208.073558 NA MeJP NA NA +MJ007974 3,4-Dihydro-8-hydroxy-3,5-dimethyl-1H-2-benzopyran-1-one, 1''-Hydroxy C11H12O4 208.073558 NA MeJP NA NA +MJ007975 3,4-Dihydro-8-hydroxy-3,5-dimethyl-1H-2-benzopyran-1-one, 4R-Hydroxy C11H12O4 208.073558 NA MeJP NA NA +MJ007976 3,4-Dihydro-8-hydroxy-3,5-dimethyl-1H-2-benzopyran-1-one, 4S-Hydroxy C11H12O4 208.073558 NA MeJP NA NA +MJ007977 3-(2,5-Dihydroxyphenyl)-2-propenoic acid; 2-Me ether, Me ester C11H12O4 208.073558 NA MeJP NA NA +MJ007978 3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3'-Me, 4',5'-methylene ether C11H12O4 208.073558 NA MeJP NA NA +MJ007979 3-(4-Methoxyphenoxy)-2-propenoic acid, Me ester C11H12O4 208.073558 NA MeJP NA NA +MJ007980 4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranone; Di-Me ether C11H12O4 208.073558 NA MeJP NA NA +MJ007981 4-Acetyl-3-methoxy-5-methylbenzoic acid C11H12O4 208.073558 NA MeJP NA NA +MJ007982 4-Vinyl-1,2,3,5-benzenetetrol; 1,2-Methylene, 3,5-di-Me ether C11H12O4 208.073558 NA MeJP NA NA +MJ007983 5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone; 7-Me ether C11H12O4 208.073558 NA MeJP NA NA +MJ007984 Anserinone B; Ketone C11H12O4 208.073558 NA MeJP NA NA +MJ007985 Citreopyrones; Citreopyrone F C11H12O4 208.073558 NA MeJP NA NA +MJ007986 Cladobotrin II C11H12O4 208.073558 NA MeJP NA NA +MJ007987 Convolvulol C11H12O4 208.073558 NA MeJP NA NA +MJ007988 Didemnenone A C11H12O4 208.073558 NA MeJP NA NA +MJ007989 Furapiole C11H12O4 208.073558 NA MeJP NA NA +MJ007990 Homouchinol C11H12O4 208.073558 NA MeJP NA NA +MJ007991 Panepoxydone; 5-Ketone C11H12O4 208.073558 NA MeJP NA NA +MJ007992 Plumbolactone A C11H12O4 208.073558 NA MeJP NA NA +MJ007993 Pyrenocine A C11H12O4 208.073558 NA MeJP NA NA +MJ007994 Pyrenocine D C11H12O4 208.073558 NA MeJP NA NA +MJ007995 Radiatinol; Me ether C11H12O4 208.073558 NA MeJP NA NA +MJ007996 Sinapaldehyde C11H12O4 208.073558 NA MeJP NA NA +MJ007997 Tetrenolin C11H12O4 208.073558 NA MeJP NA NA +MJ007998 Xialenone C; 3a-Deoxy, 4-ketone C11H12O4 208.073558 NA MeJP NA NA +MJ007999 Xialenone C; 6a-Deoxy, 4-ketone C11H12O4 208.073558 NA MeJP NA NA +MJ008000 Sinapoyl aldehyde C11H12O4 208.073558 NA MeJP NA NA +MetaCyc01917 sinapaldehyde [] C11H12O4 208.073559 NA metacyc NA NA +MetaCyc01918 (R)-2-benzylsuccinate [(R)-2-benzylsuccinic acid;] C11H12O4 208.073559 NA metacyc NA NA +MetaCyc01919 6-methoxymellein [isocoumarin;] C11H12O4 208.073559 13410-15-6 metacyc NA NA +HMDB12127 (R)-2-Benzylsuccinate C11H12O4 208.073563 NA HMDB2010 NA NA +C02381 6-Methoxymellein C11H12O4 208.0736 NA KEGG NA NA +C05610 Sinapoyl aldehyde C11H12O4 208.0736 NA KEGG NA NA +C09816 Benzylsuccinate C11H12O4 208.0736 NA KEGG NA NA +C11690 Epibatidine C11H13ClN2 208.0767 NA KEGG NA NA +MJ008001 Epibatidine C11H13ClN2 208.076726 NA MeJP NA NA +MJ008002 5-Octen-1-ol, Sulfate C8H16O4S 208.076929 NA MeJP NA NA +8040 synthetic peptide PWD 208.07895 MH2+ Inhouse_peptide NA peptide +CJpos0549 Kynurenine isomer [(M+H)]+ C10H13N2O3 208.084275 C18rt(min)=4.46 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0549 Kynurenine isomer [(M+H)]+ C10H13N2O3 208.084275 C18rt(min)=4.46 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +HMDB00684 L-Kynurenine C10H12N2O3 208.08479 http://www.hmdb.ca/metabolites/HMDB00684 PFEM_hmdb_metabocards_urine NA urine +HMDB00684 L-Kynurenine C10H12N2O3 208.08479 http://www.hmdb.ca/metabolites/HMDB00684 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00684 L-Kynurenine C10H12N2O3 208.08479 http://www.hmdb.ca/metabolites/HMDB00684 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00684 L-Kynurenine C10H12N2O3 208.08479 http://www.hmdb.ca/metabolites/HMDB00684 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00684 L-Kynurenine C10H12N2O3 208.08479 http://www.hmdb.ca/metabolites/HMDB00684 HMDB NA NA +HMDB00684 L-Kynurenine C10H12N2O3 208.08479 Polypeptides ;SYN:3-(Phenylalanine)-8-lysine oxytocin; 8-L-Lysine vasopressin; ADH; Antidiuretic hormone; Diapid; Pitressin; Pitressin Tannate; PressynH2Blood; Cerebrospinal Fluid Inhouse_peptide NA peptide +HMDB00684 L-Kynurenine C10H12N2O3 208.08479 http://www.hmdb.ca/metabolites/HMDB00684 PFEM_hmdb_metabocards_blood NA blood +HMDB00684 L-Kynurenine C10H12N2O3 208.08479 HMDB00684 PFEM_hmdb_metabocards_official NA NA +MJ008003 2,3-Diaminopropanoic acid, N3-Benzoyl C10H12N2O3 208.084792 NA MeJP NA NA +MJ008004 2-Amino-5-oxo-5-(2-pyridinyl)pentanoic acid C10H12N2O3 208.084792 NA MeJP NA NA +MJ008005 2-Aminobenzoic acid; Amide, N2-(2S-hydroxypropanoyl) C10H12N2O3 208.084792 NA MeJP NA NA +MJ008006 5,5'-Oxybis[1,5-dihydro-3-methyl-2H-pyrrol-2-one] C10H12N2O3 208.084792 NA MeJP NA NA +MJ008007 5-Hydroxy-3,4'-dimethyl-[1,2'-bipyrrole]-2,5'(2'H,5H)-dione C10H12N2O3 208.084792 NA MeJP NA NA +MJ008008 Allobarbital C10H12N2O3 208.084792 NA MeJP NA NA +MJ008009 Kynurenine C10H12N2O3 208.084792 NA MeJP NA NA +MJ008010 Formyl-5-hydroxykynurenamine C10H12N2O3 208.084792 NA MeJP NA NA +MJ008011 L-Kynurenine C10H12N2O3 208.084792 NA MeJP NA NA +MetaCyc01920 kynurenine [L-kynurenine;] C10H12N2O3 208.084792 343-65-7 metacyc NA NA +TEST012 kynurenine C10H12N2O3 208.084793 http://www.hmdb.ca/metabolites/HMDB00684 PFEM_hmdb_metabocards_urine NA urine +TEST012 kynurenine C10H12N2O3 208.084793 http://www.hmdb.ca/metabolites/HMDB00684 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +TEST012 kynurenine C10H12N2O3 208.084793 http://www.hmdb.ca/metabolites/HMDB00684 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +TEST012 kynurenine C10H12N2O3 208.084793 http://www.hmdb.ca/metabolites/HMDB00684 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +TEST012 kynurenine C10H12N2O3 208.084793 http://www.hmdb.ca/metabolites/HMDB00684 HMDB NA NA +HMDB00684 L-Kynurenine C10H12N2O3 208.084793 NA HMDB2010 NA NA +HMDB12948 Formyl-5-hydroxykynurenamine C10H12N2O3 208.084793 NA HMDB2010 NA NA +TEST012 kynurenine C10H12N2O3 208.084793 http://www.hmdb.ca/metabolites/HMDB00684 Inhouse_PFEM NA NA +TEST012 kynurenine C10H12N2O3 208.084793 http://www.hmdb.ca/metabolites/HMDB00684 PFEM_hmdb_metabocards_blood NA blood +TEST012 kynurenine C10H12N2O3 208.084793 http://www.hmdb.ca/metabolites/HMDB00684 PFEM_hmdb_metabocards_official NA NA +C00328 L-Kynurenine C10H12N2O3 208.0848 NA KEGG NA NA +C01718 Kynurenine C10H12N2O3 208.0848 NA KEGG NA NA +C05647 Formyl-5-hydroxykynurenamine C10H12N2O3 208.0848 NA KEGG NA NA +C01484 Chalcone C15H12O 208.0888 NA KEGG NA NA +C11433 1-Methoxyphenanthrene C15H12O 208.0888 NA KEGG NA NA +C15589 Chalcone C15H12O 208.0888 NA KEGG NA NA +C15590 Acylglycerol C15H12O 208.0888 NA KEGG NA NA +MJ008012 Chalcone C15H12O 208.088815 NA MeJP NA NA +MetaCyc01921 chalcone [1,3-Diphenyl-2-Propen-1-one;chalkone;benzylideneacetophenone;benzalacetophenone;phenylstyryl ketone;] C15H12O1 208.088815 94-41-7 metacyc NA NA +HMDB03066 Chalcone C15H12O 208.08882 http://www.hmdb.ca/metabolites/HMDB03066 HMDB NA NA +HMDB03066 Chalcone C15H12O 208.08882 HMDB03066 PFEM_hmdb_metabocards_official NA NA +HMDB03066 Chalcone C15H12O 208.088821 NA HMDB2010 NA NA +CJpos0550 N-Acetylphenylalanine [(M+H)]+ (13C) C1013CH14NO3 208.092375 C18rt(min)=6.6 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0550 N-Acetylphenylalanine [(M+H)]+ (13C) C1013CH14NO3 208.092375 C18rt(min)=6.6 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJneg0371 N-Acetylphenylalanine [(M-H)]- (13C) C1013CH12NO3 208.093425 C18rt(min)=6.6 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0371 N-Acetylphenylalanine [(M-H)]- (13C) C1013CH12NO3 208.093425 C18rt(min)=6.6 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ008013 1,3-Di-O-methyl-myo-inositol C8H16O6 208.094688 NA MeJP NA NA +MJ008014 1,4-Di-O-methyl-myo-inositol C8H16O6 208.094688 NA MeJP NA NA +MJ008015 2,3-Di-O-methylglucose C8H16O6 208.094688 NA MeJP NA NA +MJ008016 3,6-Di-O-methylglucose C8H16O6 208.094688 NA MeJP NA NA +MJ008017 Ethyl galactoside; ?-D-Pyranose-form C8H16O6 208.094688 NA MeJP NA NA +MJ008018 Ethyl galactoside; ?-D-Pyranose-form C8H16O6 208.094688 NA MeJP NA NA +MJ008019 Ethyl glucoside; ?-D-Pyranose-form C8H16O6 208.094688 NA MeJP NA NA +MJ008020 chiro-Inositol, 1,4-Di-Me C8H16O6 208.094688 NA MeJP NA NA +MJ008021 muco-Inositol; 1,2-Di-Me C8H16O6 208.094688 NA MeJP NA NA +MJ008022 2-Benzylbenzimidazole C14H12N2 208.100048 NA MeJP NA NA +C04561 Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate C12H16O3 208.1099 NA KEGG NA NA +C04562 Benzyl (2S,3S)-2-methyl-3-hydroxybutanoate C12H16O3 208.1099 NA KEGG NA NA +C10390 Primin C12H16O3 208.1099 NA KEGG NA NA +C10430 beta-Asarone C12H16O3 208.1099 NA KEGG NA NA +C10451 Elemicin C12H16O3 208.1099 NA KEGG NA NA +C15765 Coronafacic acid C12H16O3 208.1099 NA KEGG NA NA +C16975 Isoelemicin C12H16O3 208.1099 NA KEGG NA NA +C17821 2,4,5-Trimethoxy-1-allylbenzene C12H16O3 208.1099 NA KEGG NA NA +C17846 alpha-Asaron C12H16O3 208.1099 NA KEGG NA NA +MJ008023 1,2,4-Trimethoxy-5-(1-propenyl)benzene C12H16O3 208.109944 NA MeJP NA NA +MJ008024 1,2,4-Trimethoxy-5-(2-propenyl)benzene C12H16O3 208.109944 NA MeJP NA NA +MJ008025 1-(3,4-Dihydroxyphenyl)-2-propen-1-ol, Tri-Me ether C12H16O3 208.109944 NA MeJP NA NA +MJ008026 12-Oxo-5,8,10-dodecatrienoic acid C12H16O3 208.109944 NA MeJP NA NA +MJ008027 2,3-Dihydro-6-hydroxy-2,2-dimethyl-4H-1-benzopyran-4-one; 4-Alcohol, Me ether C12H16O3 208.109944 NA MeJP NA NA +MJ008028 2,6-Dihydroxy-4-isopropylbenzaldehyde; Di-Me ether C12H16O3 208.109944 NA MeJP NA NA +MJ008029 2,7-Dihydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one; Di-Me ether C12H16O3 208.109944 NA MeJP NA NA +MJ008030 2-(1-Propenyl)-1,3,5-benzenetriol, Tri-Me ether C12H16O3 208.109944 NA MeJP NA NA +MJ008031 2-Hydroxybenzoic acid; 3-Methylbutyl ester C12H16O3 208.109944 NA MeJP NA NA +MJ008032 2-Isopropyl-5-methyl-1,4-benzenediol; 5-Ac C12H16O3 208.109944 NA MeJP NA NA +MJ008033 2-Methoxy-6-pentyl-1,4-benzoquinone C12H16O3 208.109944 NA MeJP NA NA +MJ008034 3,4-Dihydro-6,8-dihydroxy-3,5,7-trimethyl-1H-2-benzopyran C12H16O3 208.109944 NA MeJP NA NA +MJ008035 3,4-Dihydro-8-methoxy-3,5-dimethyl-1H-2-benzopyran-6-ol C12H16O3 208.109944 NA MeJP NA NA +MJ008036 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, Tri-Me ether C12H16O3 208.109944 NA MeJP NA NA +MJ008037 3-Hydroxy-3-methyl-2-phenylpentanoic acid C12H16O3 208.109944 NA MeJP NA NA +MJ008038 3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid C12H16O3 208.109944 NA MeJP NA NA +MJ008039 4-(1-Propenyl)-1,2,3-benzenetriol; Tri-Me ether C12H16O3 208.109944 NA MeJP NA NA +MJ008040 4-(2,5-Dihydroxy-3-methylphenyl)-2-butanone; 2'-Me ether C12H16O3 208.109944 NA MeJP NA NA +MJ008041 4-(2,5-Dihydroxyphenyl)-2-methyl-3-buten-2-ol; 2-Me ether C12H16O3 208.109944 NA MeJP NA NA +MJ008042 4-(3,4-Dihydroxyphenyl)-3-buten-1-ol, 3',4'-Di-Me ether C12H16O3 208.109944 NA MeJP NA NA +MJ008043 4-(3,4-Dihydroxyphenyl)-3-buten-2-ol, 3',4'-Di-Me ether C12H16O3 208.109944 NA MeJP NA NA +MJ008044 4-Hydroxy-2-pinen-6-one, Ac C12H16O3 208.109944 NA MeJP NA NA +MJ008045 5'-Hydroxyjasmonic acid lactone C12H16O3 208.109944 NA MeJP NA NA +MJ008046 5,6-Dihydro-6-(5-hydroxy-1,3-heptadienyl)-2H-pyran-2-one C12H16O3 208.109944 NA MeJP NA NA +MJ008047 5-(1-Propenyl)-1,2,3-benzenetriol, Tri-Me ether C12H16O3 208.109944 NA MeJP NA NA +MJ008048 5-(2-Propenyl)-1,2,3-benzenetriol; Tri-Me ether C12H16O3 208.109944 NA MeJP NA NA +MJ008049 5-(Hydroxymethyl)-3-(3-methyl-2-butenyl)-1,2-benzenediol C12H16O3 208.109944 NA MeJP NA NA +MJ008050 6-Prenyl-1,2,4-benzenetriol; 2-Me ether C12H16O3 208.109944 NA MeJP NA NA +MJ008051 8-Hydroxy-6-methoxy-3,7-dimethylisochroman C12H16O3 208.109944 NA MeJP NA NA +MJ008052 Calythrone C12H16O3 208.109944 NA MeJP NA NA +MJ008053 Coronafacic acid C12H16O3 208.109944 NA MeJP NA NA +MJ008054 Deisopropylngaione C12H16O3 208.109944 NA MeJP NA NA +MJ008055 Diplosporin; 5-Deoxy C12H16O3 208.109944 NA MeJP NA NA +MJ008056 Elijopyrone D; 1',2'-Dihydro, 1'-oxo C12H16O3 208.109944 NA MeJP NA NA +MJ008057 Jasmine ketolactone C12H16O3 208.109944 NA MeJP NA NA +MJ008058 Jasmonic acid; 3-Epimer, 4,5-didehydro C12H16O3 208.109944 NA MeJP NA NA +MJ008059 Jasmonic acid; 4,5-Didehydro C12H16O3 208.109944 NA MeJP NA NA +MJ008060 Jasmonic acid; 7-Epimer, 11,12-didehydro C12H16O3 208.109944 NA MeJP NA NA +MJ008061 Oudenone C12H16O3 208.109944 NA MeJP NA NA +MJ008062 Senkyunolide A; 3-Hydroxy C12H16O3 208.109944 NA MeJP NA NA +MJ008063 Senkyunolide K C12H16O3 208.109944 NA MeJP NA NA +MJ008064 Xanthostemone C12H16O3 208.109944 NA MeJP NA NA +MJ008065 p-Mentha-1,3,5,8(10)-tetraene-3,9-diol; 8,10-Dihydro, 9-Ac C12H16O3 208.109944 NA MeJP NA NA +MJ008066 p-Mentha-1,3,5-triene-8,9-diol; 9-Ac C12H16O3 208.109944 NA MeJP NA NA +MJ008067 1,6,6-Trimethyl-2,7-dioxobicyclo-[3.2.2]nonan-3-one C12H16O3 208.109944 NA MeJP NA NA +MetaCyc01922 benzyl (2r,3s)-2-methyl-3-hydroxybutanoate [3-hydroxy-2-methyl-butanoic acid benzyl ester;] C12H16O3 208.109944 NA metacyc NA NA +8019 synthetic peptide LWV 208.1155 MH2+ Inhouse_peptide NA peptide +CJpos0551 Phe Ser Ser Phe [(M+H)-(CO2)]+ C11H17N2O2 208.120675 C18rt(min)=5.01 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0551 Phe Ser § Ser Phe [(M+H)-(CO2)]+ C11H17N2O2 208.120675 C18rt(min)=5.01 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ008068 2-(1-Phenylethyl)hydrazinecarboxylic acid, Et ester C11H16N2O2 208.121177 NA MeJP NA NA +MJ008069 Aloracetam C11H16N2O2 208.121177 NA MeJP NA NA +MJ008070 Pilocarpine C11H16N2O2 208.121177 NA MeJP NA NA +MJ008071 Safrazine C11H16N2O2 208.121177 NA MeJP NA NA +C07474 Pilocarpine C11H16N2O2 208.1212 NA KEGG NA NA +C11071 Aminocarb C11H16N2O2 208.1212 NA KEGG NA NA +C14467 cis-1,2-Diphenylcyclobutane C16H16 208.1252 NA KEGG NA NA +C14562 2,4-Diphenyl-1-butene C16H16 208.1252 NA KEGG NA NA +C15449 trans-1,2-Diphenylcyclobutane C16H16 208.1252 NA KEGG NA NA +MJ008072 1,6,8-Hexadecatriene-10,12,14-triyne C16H16 208.1252 NA MeJP NA NA +MJ008073 2,4-Diphenyl-1-butene C16H16 208.1252 NA MeJP NA NA +C14236 4-Heptyloxyphenol C13H20O2 208.1463 NA KEGG NA NA +MJ008074 1,5,8-Undecatrien-3-ol, Ac C13H20O2 208.146329 NA MeJP NA NA +MJ008075 1-[5-(2-Butenylidene)tetrahydro-4,4-dimethyl-2-furanyl]-2-propanone C13H20O2 208.146329 NA MeJP NA NA +MJ008076 2,3,4,5-Tetrahydro-2,5'-dimethyl-5-(1-methylethenyl)-2,2'-bifuran, 1'',2''-Dihydro C13H20O2 208.146329 NA MeJP NA NA +MJ008077 2,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol; 7?-Hydroxy C13H20O2 208.146329 NA MeJP NA NA +MJ008078 2-Hydroxy-5,7-megastigmadien-9-one C13H20O2 208.146329 NA MeJP NA NA +MJ008079 2-Hydroxy-6-pentylbenzyl alcohol; 1'-Me ether C13H20O2 208.146329 NA MeJP NA NA +MJ008080 3,5,8-Megastigmatrien-7-one; 3,4-Dihydro, 3-hydroxy C13H20O2 208.146329 NA MeJP NA NA +MJ008081 3,5,8-Megastigmatrien-7-one; 3,4-Dihydro, 4-hydroxy C13H20O2 208.146329 NA MeJP NA NA +MJ008082 3-Hydroxy-5,7-megastigmadien-9-one C13H20O2 208.146329 NA MeJP NA NA +MJ008083 3-Hydroxy-5,8-megastigmadien-7-one C13H20O2 208.146329 NA MeJP NA NA +MJ008084 4,6,10,12-Tridecatetraene-2,8-diol C13H20O2 208.146329 NA MeJP NA NA +MJ008085 4,7-Megastigmadiene-3,9-diol, 9-Ketone C13H20O2 208.146329 NA MeJP NA NA +MJ008086 4,7-Megastigmadiene-3,9-diol, 3-Ketone C13H20O2 208.146329 NA MeJP NA NA +MJ008087 5,6-Epoxy-7-megastigmen-9-one C13H20O2 208.146329 NA MeJP NA NA +MJ008088 5,9-Epoxy-3,6-megastigmadien-8-ol C13H20O2 208.146329 NA MeJP NA NA +MJ008089 5,9-Epoxy-3,6-megastigmadiene, 6?,7?-Epoxide C13H20O2 208.146329 NA MeJP NA NA +MJ008090 5,9:6,9-Diepoxy-3-megastigmene C13H20O2 208.146329 NA MeJP NA NA +MJ008091 5,9:6,9-Diepoxy-4-megastigmene C13H20O2 208.146329 NA MeJP NA NA +MJ008092 5-Isopropyl-2-methyl-8-oxo-2,6-nonadienal C13H20O2 208.146329 NA MeJP NA NA +MJ008093 5-Megastigmen-7-yne-3,9-diol C13H20O2 208.146329 NA MeJP NA NA +MJ008094 6,10-Dimethyl-5,9-undecadiene-2,8-dione C13H20O2 208.146329 NA MeJP NA NA +MJ008095 Actinidol C13H20O2 208.146329 NA MeJP NA NA +MJ008096 Eremopetasinorol C13H20O2 208.146329 NA MeJP NA NA +MJ008097 Lyratol, Propanoyl C13H20O2 208.146329 NA MeJP NA NA +MJ008098 Prosopidione C13H20O2 208.146329 NA MeJP NA NA +MJ008099 Solanofuran C13H20O2 208.146329 NA MeJP NA NA +MJ008100 Stegobiene C13H20O2 208.146329 NA MeJP NA NA +MJ008101 Theaspirone C13H20O2 208.146329 NA MeJP NA NA +MetaCyc01923 3-hydroxy-9-apo-β-caroten-9-one [3-hydroxy-β-ionone;] C13H20O2 208.14633 NA metacyc NA NA +MetaCyc01924 3-hydroxy-9-apo-δ-caroten-9-one [] C13H20O2 208.14633 NA metacyc NA NA +MJ008102 3,6-Bis(1-methylpropyl)-2(1H)-pyrazinone C12H20N2O 208.157563 NA MeJP NA NA +MJ008103 Amiterol C12H20N2O 208.157563 NA MeJP NA NA +MJ008104 Ammodendrine C12H20N2O 208.157563 NA MeJP NA NA +MJ008105 Aspergillic acid, Deoxy C12H20N2O 208.157563 NA MeJP NA NA +MJ008106 Chamaecytisus Alkaloid C2 C12H20N2O 208.157563 NA MeJP NA NA +MJ008107 Elaeokanidine A C12H20N2O 208.157563 NA MeJP NA NA +MJ008108 Flavacol C12H20N2O 208.157563 NA MeJP NA NA +MJ008109 Lusitanine C12H20N2O 208.157563 NA MeJP NA NA +MJ008110 Tetrahydrocytisine; N-Me C12H20N2O 208.157563 NA MeJP NA NA +C10125 Ammodendrine C12H20N2O 208.1576 NA KEGG NA NA +MJ008111 11,13-Tetradecadienal C14H24O 208.182715 NA MeJP NA NA +MJ008112 15-Nor-2,10-bisaboladien-7-ol C14H24O 208.182715 NA MeJP NA NA +MJ008113 2,6,10-Trimethyl-5,9-undecadienal C14H24O 208.182715 NA MeJP NA NA +MJ008114 5-Cyclotetradecen-1-one C14H24O 208.182715 NA MeJP NA NA +MJ008115 6,10-Dimethyl-9-methylene-5-undecen-2-one C14H24O 208.182715 NA MeJP NA NA +MJ008116 8,10-Tetradecadienal C14H24O 208.182715 NA MeJP NA NA +MJ008117 9,11-Tetradecadienal C14H24O 208.182715 NA MeJP NA NA +MJ008118 9,12-Tetradecadienal C14H24O 208.182715 NA MeJP NA NA +MJ008119 ?-Irone, 7,8-Dihydro C14H24O 208.182715 NA MeJP NA NA +MJ008120 Anthoplalone; Deformyl C14H24O 208.182715 NA MeJP NA NA +MJ008121 ?-Irone, 7,8-Dihydro C14H24O 208.182715 NA MeJP NA NA +MJ008122 1,8-Pentadecadiene C15H28 208.2191 NA MeJP NA NA +MJ008123 Drimane C15H28 208.2191 NA MeJP NA NA +MJ008124 Eudesmane C15H28 208.2191 NA MeJP NA NA +8073 synthetic peptide RWG 208.6005 MH2+ Inhouse_peptide NA peptide +HMDB02196 Bismuth Bi 208.98039 http://www.hmdb.ca/metabolites/HMDB02196 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02196 Bismuth Bi 208.98039 http://www.hmdb.ca/metabolites/HMDB02196 HMDB NA NA +HMDB02196 Bismuth Bi 208.98039 http://www.hmdb.ca/metabolites/HMDB02196 PFEM_hmdb_metabocards_blood NA blood +HMDB02196 Bismuth Bi 208.98039 HMDB02196 PFEM_hmdb_metabocards_official NA NA +HMDB02196 Bismuth [Bi]3+ 208.980392 NA HMDB2010 NA NA +C15471 Bismuth Bi 208.9804 NA KEGG NA NA +MJ008125 6-Hydroxy-5-benzothiazoleacetic acid C9H7NO3S 209.014663 NA MeJP NA NA +MJ008126 Cassipoureamide A C6H11NO3S2 209.018034 NA MeJP NA NA +MJ008127 4-Chloro-1H-indole-3-acetic acid C10H8ClNO2 209.024356 NA MeJP NA NA +EUR349 3-Nitrotyrosine F2 F2 209.035375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR349 3-Nitrotyrosine F2 NA 209.035375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR349 3-Nitrotyrosine F2 F2 209.035375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR349 3-Nitrotyrosine F2 NA 209.035375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR349 3-Nitrotyrosine F2 F2 209.035375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR349 3-Nitrotyrosine F2 NA 209.035375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR349 3-Nitrotyrosine F2 F2 209.035375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR349 3-Nitrotyrosine F2 F2 209.035375 standards wishlist analysés sur QTOF HMDB NA NA +EUR349 3-Nitrotyrosine F2 F2 209.035375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR349 3-Nitrotyrosine F2 NA 209.035375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR349 3-Nitrotyrosine F2 F2 209.035375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR349 3-Nitrotyrosine F2 F2 209.035375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ008128 Cysteine, S-(2-Carboxy-2-hydroxyethyl) C6H11NO5S 209.035793 NA MeJP NA NA +MJ008129 S-(2-Carboxyethyl)cysteine, S-Oxide C6H11NO5S 209.035793 NA MeJP NA NA +MJ008130 N-(2-Methoxy-2-propenyl)trimethylammonium(1+); Bromide C7H16BrNO 209.041526 NA MeJP NA NA +C17949 N-Acetyldemethylphosphinothricin C6H12NO5P 209.0453 NA KEGG NA NA +MJ008131 2-Amino-4-methyl-5-phosphono-3-pentenoic acid C6H12NO5P 209.045309 NA MeJP NA NA +MJ008132 Benz[g]isoquinoline-5,10-dione C13H7NO2 209.047678 NA MeJP NA NA +MJ008133 (4-Methoxyphenyl)-N-methyl-2-oxothioacetamide C10H11NO2S 209.051049 NA MeJP NA NA +MJ008134 3,4-Dimethoxybenzyl isothiocyanate C10H11NO2S 209.051049 NA MeJP NA NA +MJ008135 5-(4-Methoxyphenyl)-2-oxazolidinethione C10H11NO2S 209.051049 NA MeJP NA NA +MJ008136 Aerugine C10H11NO2S 209.051049 NA MeJP NA NA +MJ008137 Entadamide B C7H15NO2S2 209.05442 NA MeJP NA NA +MJ008138 Elmustine; N'-Me C6H12ClN3O3 209.056718 NA MeJP NA NA +C03710 N-Benzyloxycarbonylglycine C10H11NO4 209.0688 NA KEGG NA NA +C05596 p-Hydroxyphenylacetylglycine C10H11NO4 209.0688 NA KEGG NA NA +C16591 3-Carbamoyl-2-phenylpropionic acid C10H11NO4 209.0688 NA KEGG NA NA +HMDB00735 Hydroxyphenylacetylglycine C10H11NO4 209.068802 NA HMDB2010 NA NA +MJ008139 4-Hydroxyphenylacetylglycine C10H11NO4 209.068807 NA MeJP NA NA +MJ008140 1,2,3,4-Tetrahydro-6,7-dihydroxy-3-isoquinolinecarboxylic acid C10H11NO4 209.068807 NA MeJP NA NA +MJ008141 2-Amino-3',4'-dihydroxyacetophenone; N-Ac C10H11NO4 209.068807 NA MeJP NA NA +MJ008142 2-Amino-3-(3-carboxyphenyl)propanoic acid C10H11NO4 209.068807 NA MeJP NA NA +MJ008143 3-(1,2-Dihydroxy-4-isocyano-3-cyclopenten-1-yl)-2-propenoic acid, Me ester C10H11NO4 209.068807 NA MeJP NA NA +MJ008144 ?-Amino-4-carboxy-2-methylbenzeneacetic acid C10H11NO4 209.068807 NA MeJP NA NA +MJ008145 Penidilamine C10H11NO4 209.068807 NA MeJP NA NA +MJ008146 Spiroarogenic acid C10H11NO4 209.068807 NA MeJP NA NA +MetaCyc01925 N-Benzyloxycarbonylglycine [N-CBZ-glycine;] C10H11N1O4 209.068808 1138-80-3 metacyc NA NA +HMDB00735 Hydroxyphenylacetylglycine C10H11NO4 209.06882 http://www.hmdb.ca/metabolites/HMDB00735 HMDB NA NA +HMDB00735 Hydroxyphenylacetylglycine C10H11NO4 209.06882 HMDB00735 PFEM_hmdb_metabocards_official NA NA +CJneg0372 3-Methoxysalicylic acid [(M-H)+(CH3CN)]- C10H10NO4 209.069325 C18rt(min)=6.9 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0373 Methoxysalicylic acid isomer [(M-H)+(CH3CN)]- C10H10NO4 209.069325 C18rt(min)=6.2 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0372 3-Methoxysalicylic acid [(M-H)+(CH3CN)]- C10H10NO4 209.069325 C18rt(min)=6.9 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0373 Methoxysalicylic acid isomer [(M-H)+(CH3CN)]- C10H10NO4 209.069325 C18rt(min)=6.2 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ008147 Tolonidine C10H12ClN3 209.071975 NA MeJP NA NA +MJ008148 Tetraethylammonium(1+); Bromide C8H20BrN 209.077912 NA MeJP NA NA +C16420 4-Acetamido-2-amino-6-nitrotoluene C9H11N3O3 209.08 NA KEGG NA NA +CJneg0374 Isovalerylalanine isomer [(M+Cl)]- C8H15ClNO3 209.082425 C18rt(min)=6.5 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0375 N-Acetylisoleucine [(M+Cl)]- C8H15ClNO3 209.082425 C18rt(min)=6.08 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0376 Hexanoylglycine [(M+Cl)]- C8H15ClNO3 209.082425 C18rt(min)=6.45 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0377 N-Acetylleucine [(M+Cl)]- C8H15ClNO3 209.082425 C18rt(min)=6.23 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0374 Isovalerylalanine isomer [(M+Cl)]- C8H15ClNO3 209.082425 C18rt(min)=6.5 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0375 N-Acetylisoleucine [(M+Cl)]- C8H15ClNO3 209.082425 C18rt(min)=6.08 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0376 Hexanoylglycine [(M+Cl)]- C8H15ClNO3 209.082425 C18rt(min)=6.45 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0377 N-Acetylleucine [(M+Cl)]- C8H15ClNO3 209.082425 C18rt(min)=6.23 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ008149 10-Methylacridone C14H11NO 209.084063 NA MeJP NA NA +MJ008150 3-Methyl-9H-carbazoleyl C14H11NO 209.084063 NA MeJP NA NA +C16604 2-Hydroxyiminostilbene C14H11NO 209.0841 NA KEGG NA NA +MJ008151 Niranin C11H15NOS 209.087434 NA MeJP NA NA +CJpos0552 Kynurenine isomer [(M+H)]+ (13C) C913CH13N2O3 209.087575 C18rt(min)=4.46 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0552 Kynurenine isomer [(M+H)]+ (13C) C913CH13N2O3 209.087575 C18rt(min)=4.46 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ008152 3-(6-Amino-9H-purin-9-yl)-1,2-propanediol C8H11N5O2 209.091274 NA MeJP NA NA +MJ008153 Aciclovir; 6-Deoxy C8H11N5O2 209.091274 NA MeJP NA NA +MetaCyc01926 (S)-9-(2,3-dihydroxypropyl)-adenine [] C8H11N5O2 209.091275 NA metacyc NA NA +MJ008154 2-(1H-imidazol-4-yl)quinoline; 1'-Me C13H11N3 209.095297 NA MeJP NA NA +MJ008155 2-(1H-imidazol-4-yl)quinoline; 3'-Me C13H11N3 209.095297 NA MeJP NA NA +MJ008156 3,6-Acridinediamine C13H11N3 209.095297 NA MeJP NA NA +MJ008157 Prodigiosene C13H11N3 209.095297 NA MeJP NA NA +C11181 Proflavine C13H11N3 209.0953 NA KEGG NA NA +MJ008158 Talipexole C10H15N3S 209.098668 NA MeJP NA NA +8018 synthetic peptide LWT 209.105 MH2+ Inhouse_peptide NA peptide +MJ008159 1,2,3,4-Tetrahydro-6-hydroxy-7,8-dimethoxyisoquinoline C11H15NO3 209.105193 NA MeJP NA NA +MJ008160 1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxyisoquinoline C11H15NO3 209.105193 NA MeJP NA NA +MJ008161 1-(3-Methoxy-4,5-methylenedioxyphenyl)-2-propylamine C11H15NO3 209.105193 NA MeJP NA NA +MJ008162 2-(2-Ethoxyethoxy)benzamide C11H15NO3 209.105193 NA MeJP NA NA +MJ008163 2-Hydroxypropanoic acid, p-Ethoxyanilide C11H15NO3 209.105193 NA MeJP NA NA +MJ008164 2-Phenyl-1,2-butanediol, 1-Carbamate C11H15NO3 209.105193 NA MeJP NA NA +MJ008165 3-(3,4-Dihydroxyphenyl)propanoic acid; Di-Me ether, amide C11H15NO3 209.105193 NA MeJP NA NA +MJ008166 Anisomycin, O-De-Me, O-de-Ac C11H15NO3 209.105193 NA MeJP NA NA +MJ008167 Propoxur C11H15NO3 209.105193 NA MeJP NA NA +MJ008168 Tyrosine, N,N-Di-Me C11H15NO3 209.105193 NA MeJP NA NA +C01458 Tyr-OEt C11H15NO3 209.1052 NA KEGG NA NA +C12231 Anhalamine C11H15NO3 209.1052 NA KEGG NA NA +C14262 p-Lactophenetide C11H15NO3 209.1052 NA KEGG NA NA +C14334 Propoxur C11H15NO3 209.1052 NA KEGG NA NA +MJ008169 Clathryimine A; Decarboxy C15H16N(+) 209.120449 NA MeJP NA NA +CJpos0553 Phe Ser Ser Phe [(M+H)-(CO2)]+ (13C) C1013CH17N2O2 209.123975 C18rt(min)=5.01 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0553 Phe Ser § Ser Phe [(M+H)-(CO2)]+ (13C) C1013CH17N2O2 209.123975 C18rt(min)=5.01 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ008170 Minoxidil C9H15N5O 209.12766 NA MeJP NA NA +MetaCyc01927 minoxidil [loniten;theroxidil;alopexil;] C9H15N5O1 209.12766 NA metacyc NA NA +MJ008171 1-(2,5-Dimethoxy-4-methylphenyl)-1-propylamine C12H19NO2 209.141578 NA MeJP NA NA +MJ008172 3,4-Dimethoxyphenethylamine; N,N-Di-Me C12H19NO2 209.141578 NA MeJP NA NA +MJ008173 Bamethan C12H19NO2 209.141578 NA MeJP NA NA +MJ008174 Elaeokanine E C12H19NO2 209.141578 NA MeJP NA NA +MJ008175 Fepradinol C12H19NO2 209.141578 NA MeJP NA NA +MJ008176 4-Hydroxy-3-methoxyphenethylamine; N,N,N-Tri-Me C12H20NO2(+) 209.141578 NA MeJP NA NA +MJ008177 Salicifoline C12H20NO2(+) 209.141578 NA MeJP NA NA +MJ008178 Triacsin B; 6,7,8,9-Tetrahydro C11H19N3O 209.152812 NA MeJP NA NA +MJ008179 Mercaptoundecahydrododecaborate(2-) B12H12S2(-) 209.157532 NA MeJP NA NA +MJ008180 2,4,6-Trimethyl-2,4-decadienoic acid, Amide C13H23NO 209.177964 NA MeJP NA NA +MJ008181 Dicarprine C; N-Me C13H23NO 209.177964 NA MeJP NA NA +MJ008182 Dodecahydro-2-methylpyrido[2,1,6-de]quinolizine, N-Oxide C13H23NO 209.177964 NA MeJP NA NA +MJ008183 Luciduline, 2?-Alcohol C13H23NO 209.177964 NA MeJP NA NA +MJ008184 Pumiliotoxin 209F C13H23NO 209.177964 NA MeJP NA NA +MJ008185 3,5,13-Tetradecatrien-2-amine, 13,14-Dihydro C14H27N 209.214349 NA MeJP NA NA +MJ008186 5,8-Dipropylindolizidine C14H27N 209.214349 NA MeJP NA NA +MJ008187 8-Methyl-5-(4-pentenyl)indolizidine; Dihydro C14H27N 209.214349 NA MeJP NA NA +MetaCyc01928 trichloroanisole [] C7H5O1CL3 209.940598 NA metacyc NA NA +C11510 2,4.6-Trichloroanisole C7H5Cl3O 209.9406 NA KEGG NA NA +MJ008188 2,4-Dichloro-cis,cis-muconate C6H4Cl2O4 209.948664 NA MeJP NA NA +MJ008189 2,5-Dichloro-cis,cis-muconate C6H4Cl2O4 209.948664 NA MeJP NA NA +MetaCyc01929 2,5-dichloro-cis,cis-muconate [2,5-dichloro-cis,cis-muconic acid;] C6H4O4CL2 209.948664 NA metacyc NA NA +MetaCyc01930 2,4-dichloro-cis,cis-muconate [] C6H4O4CL2 209.948664 72945-11-0 metacyc NA NA +MetaCyc01931 2,4-dichloro-2,5-dihydro-5-oxofuran-2-acetate [3,5-Dichloro-2,5-dihydro-2-oxofuran-5-acetate;] C6H4O4CL2 209.948664 NA metacyc NA NA +C03918 2,4-Dichloro-cis,cis-muconate C6H4Cl2O4 209.9487 NA KEGG NA NA +C04625 2,4-Dichloro-2,5-dihydro-5-oxofuran-2-acetate C6H4Cl2O4 209.9487 NA KEGG NA NA +C04627 D-Galactosyl-N-acetyl-alpha-D-galactosaminide C14H24NO11R 209.9487 NA KEGG NA NA +C07095 2,5-Dichloro-cis,cis-muconate C6H4Cl2O4 209.9487 NA KEGG NA NA +MJ008190 Zinc(II) propanoate C6H10O4Zn 209.987055 NA MeJP NA NA +MJ008191 5-Formyl-2-thiophenecarboxylic acid; Nitrile, thiosemicarbazone C7H6N4S2 210.003387 NA MeJP NA NA +CJpos0554 7-Methylxanthine [(M-H+2Na)]+ C6H5N4Na2O2 210.012375 C18rt(min)=4.01 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0554 7-Methylxanthine [(M-H+2Na)]+ C6H5N4Na2O2 210.012375 C18rt(min)=4.01 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ008192 1,3,5-Benzenetricarboxylic acid C9H6O6 210.016437 NA MeJP NA NA +MJ008193 Fluorocitric acid C6H7FO7 210.01758 NA MeJP NA NA +MetaCyc01932 fluoro-citrate [2-fluoro-L-erythro-citrate;erythrofluorocitrate (isomer);fluoro-citrate;] C6H7O7F1 210.017581 357-89-1 metacyc NA NA +MJ008194 1-(Methylthio)propyl 1-propenyl disulfide; 2-Oxide C7H14OS3 210.020677 NA MeJP NA NA +MJ008195 1-(Methylthio)propyl 2-propenyl disulfide; 2-Oxide C7H14OS3 210.020677 NA MeJP NA NA +MJ008196 Methyl 1-(1-propenylthio)propyl disulfide, 5-Oxide C7H14OS3 210.020677 NA MeJP NA NA +MJ008197 Methyl 1-(2-propenylthio)propyl disulfide; 5-Oxide C7H14OS3 210.020677 NA MeJP NA NA +CJneg0378 5-hydroxymethyluracil [(M-H)+(HCOONa)]- C6H6N2NaO5 210.025825 C18rt(min)=1.05 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0378 5-hydroxymethyluracil [(M-H)+(HCOONa)]- C6H6N2NaO5 210.025825 C18rt(min)=1.05 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ008198 2-Nitro-4-(2-nitroethenyl)phenol C8H6N2O5 210.027671 NA MeJP NA NA +MJ008199 Arcamine C5H10N2O5S 210.031042 NA MeJP NA NA +HMDB00639 Galactaric acid C6H10O8 210.037567 NA HMDB2010 NA NA +HMDB00663 Glucaric acid C6H10O8 210.037567 NA HMDB2010 NA NA +MJ008200 Allaric acid C6H10O8 210.037567 NA MeJP NA NA +MJ008201 Galactaric acid C6H10O8 210.037567 NA MeJP NA NA +MJ008202 Idaric acid C6H10O8 210.037567 NA MeJP NA NA +MJ008203 D-Galactarate C6H10O8 210.037567 NA MeJP NA NA +MJ008204 D-Glucarate C6H10O8 210.037567 NA MeJP NA NA +MetaCyc01933 D-glucarate [glucarate;D-glucaric acid;L-gularic acid;D-saccharic acid;D-glucosaccharic acid;] C6H10O8 210.037567 87-73-0 metacyc NA NA +MetaCyc01934 D-galactarate [galactarate;galactaric acid;mucic acid;] C6H10O8 210.037567 526-99-8 metacyc NA NA +HMDB00639 Galactaric acid C6H10O8 210.03757 http://www.hmdb.ca/metabolites/HMDB00639 HMDB NA NA +HMDB00663 Glucaric acid C6H10O8 210.03757 http://www.hmdb.ca/metabolites/HMDB00663 HMDB NA NA +HMDB00639 Galactaric acid C6H10O8 210.03757 HMDB00639 PFEM_hmdb_metabocards_official NA NA +HMDB00663 Glucaric acid C6H10O8 210.03757 HMDB00663 PFEM_hmdb_metabocards_official NA NA +C00767 Glucarate C6H10O8 210.0376 NA KEGG NA NA +C00818 D-Glucarate C6H10O8 210.0376 NA KEGG NA NA +C00879 D-Galactarate C6H10O8 210.0376 NA KEGG NA NA +C01807 Galactarate C6H10O8 210.0376 NA KEGG NA NA +C01808 Ganglioside C6H10O8 210.0376 NA KEGG NA NA +C01810 Glucomannan H2O 210.0376 NA KEGG NA NA +C12649 Citric acid monohydrate C6H8O7 210.0376 NA KEGG NA NA +MJ008205 4,7-Phenanthroline-5,6-dione C12H6N2O2 210.042927 NA MeJP NA NA +MJ008206 Thibenzazoline C9H10N2O2S 210.046298 NA MeJP NA NA +CJpos0555 Dihydroxyphenylethyleneglycol isomer [(M+Na)+(H2O)]+ C8H12NaO5 210.049875 C18rt(min)=5.3 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0555 Dihydroxyphenylethyleneglycol isomer [(M+Na)+(H2O)]+ C8H12NaO5 210.049875 C18rt(min)=5.3 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ008207 8-Methylthio-1,7-tridecadiene-3,5,9,11-tetrayne C14H10S 210.050321 NA MeJP NA NA +MJ008208 Lithium citrate C6H5Li3O7 210.051539 NA MeJP NA NA +C05619 5-Hydroxyferulate C10H10O5 210.0528 NA KEGG NA NA +MJ008209 5-Hydroxyferulate C10H10O5 210.052823 NA MeJP NA NA +MJ008210 2,3,4,5-Tetrahydroxybenzaldehyde; 4,5-Di-Me, 2,3-methylene ether C10H10O5 210.052823 NA MeJP NA NA +MJ008211 2,3-Dihydro-5,7,8-trihydroxy-2H-1-benzopyran-4-one; 8-Me ether C10H10O5 210.052823 NA MeJP NA NA +MJ008212 2,4-Diacetyl-1,3,5-benzenetriol C10H10O5 210.052823 NA MeJP NA NA +MJ008213 2,4-Dihydroxy-6-(2-oxopropyl)benzoic acid C10H10O5 210.052823 NA MeJP NA NA +MJ008214 2-(2-Hydroxy-5-methoxyphenoxy)-2-propenoic acid C10H10O5 210.052823 NA MeJP NA NA +MJ008215 2-Acetyl-3,5-dihydroxyphenylacetic acid C10H10O5 210.052823 NA MeJP NA NA +MJ008216 3,4,6-Trihydroxy-2-methylbenzoic acid; 3,4-Methylene, 6-Me ether C10H10O5 210.052823 NA MeJP NA NA +MJ008217 3,4-Dihydro-3,4,6,8-tetrahydroxy-1(2H)-naphthalenone C10H10O5 210.052823 NA MeJP NA NA +MJ008218 3,4-Dihydro-3,6,8-trihydroxy-3-methyl-1H-2-benzopyran-1-one C10H10O5 210.052823 NA MeJP NA NA +MJ008219 3,4-Dihydro-4,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, 6-Hydroxy C10H10O5 210.052823 NA MeJP NA NA +MJ008220 3,4-Dihydro-5,6,8-trihydroxy-3-methyl-1H-2-benzopyran-1-one C10H10O5 210.052823 NA MeJP NA NA +MJ008221 3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3-Me ether C10H10O5 210.052823 NA MeJP NA NA +MJ008222 3-Acetyl-2,4,6-trihydroxybenzaldehyde; 4-Me ether C10H10O5 210.052823 NA MeJP NA NA +MJ008223 3-Formyl-2,4-dihydroxy-6-methylbenzoic acid; Me ester C10H10O5 210.052823 NA MeJP NA NA +MJ008224 4-Acetyl-2,5-dihydroxy-3-methoxybenzaldehyde C10H10O5 210.052823 NA MeJP NA NA +MJ008225 Stipitatic acid; Et ester C10H10O5 210.052823 NA MeJP NA NA +MetaCyc01935 2-oxo-4-hydroxy-4-(2'-hydroxyphenyl)-butyrate [] C10H10O5 210.052823 NA metacyc NA NA +MetaCyc01936 5-hydroxy-ferulic-acid [5-hydroxy ferulate;] C10H10O5 210.052823 NA metacyc NA NA +HMDB11714 Vanilpyruvic acid C10H10O5 210.052826 NA HMDB2010 NA NA +MJ008226 Butyl 1-(methylthio)propyl disulfide C8H18S3 210.057062 NA MeJP NA NA +MJ008227 Ethyl 1-(propylthio)propyl disulfide C8H18S3 210.057062 NA MeJP NA NA +JH110 N-acetyl-L-glutamine [M+Na]+ NA 210.0607 1.64 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH110 N-acetyl-L-glutamine [M+Na]+ NA 210.0607 1.64 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH110 N-acetyl-L-glutamine [M+Na]+ NA 210.0607 1.64 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH110 N-acetyl-L-glutamine [M+Na]+ NA 210.0607 1.64 Inhousejuil11 NA NA +CJpos0556 Aminosalicyluric acid [(M+H)]+ C9H11N2O4 210.063475 C18rt(min)=4.5 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0556 Aminosalicyluric acid [(M+H)]+ C9H11N2O4 210.063475 C18rt(min)=4.5 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ008228 2-Amino-2-(4-hydroxyphenyl)acetic acid, N-Carbamoyl C9H10N2O4 210.064056 NA MeJP NA NA +MetaCyc01937 N-carbamoyl-p-hydroxy-D-phenylglycine [] C9H10N2O4 210.064057 NA metacyc NA NA +EUR426 Deoxyuridine F3 F3 210.064275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR426 Deoxyuridine F3 NA 210.064275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR426 Deoxyuridine F3 F3 210.064275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR426 Deoxyuridine F3 NA 210.064275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR426 Deoxyuridine F3 F3 210.064275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR426 Deoxyuridine F3 NA 210.064275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR426 Deoxyuridine F3 F3 210.064275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR426 Deoxyuridine F3 F3 210.064275 standards wishlist analysés sur QTOF HMDB NA NA +EUR426 Deoxyuridine F3 F3 210.064275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR426 Deoxyuridine F3 NA 210.064275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR426 Deoxyuridine F3 F3 210.064275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR426 Deoxyuridine F3 F3 210.064275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJneg0379 Aminosalicyluric acid [(M-H)]- C9H9N2O4 210.064625 C18rt(min)=4.5 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0379 Aminosalicyluric acid [(M-H)]- C9H9N2O4 210.064625 C18rt(min)=4.5 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0380 Suberic acid [M+Cl]- C8H14O4Cl 210.066425 C18rt(min)=6.46 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0380 Suberic acid [M+Cl]- C8H14O4Cl 210.066425 C18rt(min)=6.46 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ008229 Golfomycin A C14H10O2 210.068079 NA MeJP NA NA +MetaCyc01938 phenanthrene-3,4-diol [] C14H10O2 210.06808 NA metacyc NA NA +C03164 Phenanthrene-3,4-diol C14H10O2 210.0681 NA KEGG NA NA +C16204 1,2-Anthracenediol C14H10O2 210.0681 NA KEGG NA NA +C16206 9,10-Dihydroxyanthracene C14H10O2 210.0681 NA KEGG NA NA +MJ008230 Thiolactomycin C11H14O2S 210.07145 NA MeJP NA NA +C11165 Thiolactomycin C11H14O2S 210.0715 NA KEGG NA NA +CJneg0381 Methoxysalicylic acid isomer [(M-H)+(CH3CN)]- (13C) C913CH10NO4 210.072725 C18rt(min)=6.2 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0381 Methoxysalicylic acid isomer [(M-H)+(CH3CN)]- (13C) C913CH10NO4 210.072725 C18rt(min)=6.2 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +HMDB03219 Sedoheptulose C7H14O7 210.07394 http://www.hmdb.ca/metabolites/HMDB03219 HMDB NA NA +HMDB03219 Sedoheptulose C7H14O7 210.07394 HMDB03219 PFEM_hmdb_metabocards_official NA NA +MJ008231 Sedoheptulose C7H14O7 210.073952 NA MeJP NA NA +MJ008232 D-glycero-D-altro-Heptose C7H14O7 210.073952 NA MeJP NA NA +MJ008233 D-glycero-D-galacto-Heptose C7H14O7 210.073952 NA MeJP NA NA +MJ008234 D-glycero-D-gluco-Heptose C7H14O7 210.073952 NA MeJP NA NA +MJ008235 D-glycero-D-manno-Heptose C7H14O7 210.073952 NA MeJP NA NA +MJ008236 D-glycero-L-manno-Heptose C7H14O7 210.073952 NA MeJP NA NA +MJ008237 L-glycero-D-manno-Heptose C7H14O7 210.073952 NA MeJP NA NA +MJ008238 allo-2-Heptulose C7H14O7 210.073952 NA MeJP NA NA +MJ008239 altro-2-Heptulose C7H14O7 210.073952 NA MeJP NA NA +MJ008240 altro-3-Heptulose C7H14O7 210.073952 NA MeJP NA NA +MJ008241 galacto-2-Heptulose C7H14O7 210.073952 NA MeJP NA NA +MJ008242 ido-2-Heptulose; ?-L-Pyranose-form C7H14O7 210.073952 NA MeJP NA NA +MJ008243 manno-2-Heptulose C7H14O7 210.073952 NA MeJP NA NA +MetaCyc01939 D-sedoheptulose [] C7H14O7 210.073953 3019-74-7 metacyc NA NA +HMDB03219 Sedoheptulose C7H14O7 210.073959 NA HMDB2010 NA NA +C02076 Sedoheptulose C7H14O7 210.074 NA KEGG NA NA +C08236 alpha-D-Mannoheptulopyranose C7H14O7 210.074 NA KEGG NA NA +C08355 beta-D-Sedoheptulopyranose C7H14O7 210.074 NA KEGG NA NA +CJneg0382 Deoxyhexose [(M-H)+(HCOOH)]- C7H13O7 210.074525 C18rt(min)=0.91 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0382 Deoxyhexose [(M-H)+(HCOOH)]- C7H13O7 210.074525 C18rt(min)=0.91 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +HMDB02123 1,3,7-Trimethyluric acid C8H10N4O3 210.075287 NA HMDB2010 NA NA +HMDB02123 1,3,7-Trimethyluric acid C8H10N4O3 210.07529 http://www.hmdb.ca/metabolites/HMDB02123 HMDB NA NA +HMDB02123 1,3,7-Trimethyluric acid C8H10N4O3 210.07529 HMDB02123 PFEM_hmdb_metabocards_official NA NA +C16361 1,3,7-Trimethyluric acid C8H10N4O3 210.0753 NA KEGG NA NA +C12143 2-Aminoacridone C13H10N2O 210.0793 NA KEGG NA NA +MJ008244 1-Acetyl-?-carboline C13H10N2O 210.079312 NA MeJP NA NA +MJ008245 1-Phenazinol; Me ether C13H10N2O 210.079312 NA MeJP NA NA +MJ008246 8-Hydroxy-1-vinyl-?-carboline C13H10N2O 210.079312 NA MeJP NA NA +MJ008247 Pyocyanine C13H10N2O 210.079312 NA MeJP NA NA +7920 synthetic peptide QHH 210.087 MH2+ Inhouse_peptide NA peptide +CJneg0383 Azelaic acid [(M-2H+Na)]- C9H14NaO4 210.087325 C18rt(min)=7.01 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0383 Azelaic acid [(M-2H+Na)]- C9H14NaO4 210.087325 C18rt(min)=7.01 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MetaCyc01940 N4-Phosphoagmatine [] C5H15N4O3P1 210.088177 NA metacyc NA NA +C02726 N4-Phosphoagmatine C5H15N4O3P 210.0882 NA KEGG NA NA +C02325 Sinapyl alcohol C11H14O4 210.0892 NA KEGG NA NA +C02327 Thiogalactoside C6H11O5SR 210.0892 NA KEGG NA NA +C07350 3-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one C11H14O4 210.0892 NA KEGG NA NA +C07351 Phlorisobutyrophenone C11H14O4 210.0892 NA KEGG NA NA +C10709 Multifidol C11H14O4 210.0892 NA KEGG NA NA +MJ008248 Sinapyl alcohol C11H14O4 210.089208 NA MeJP NA NA +MJ008249 1-(2,4,6-Trihydroxyphenyl)-1-butanone; 4-Me ether C11H14O4 210.089208 NA MeJP NA NA +MJ008250 1-(3,4,5-Trihydroxyphenyl)-1-propanone; 3',5'-Di-Me ether C11H14O4 210.089208 NA MeJP NA NA +MJ008251 1a,2,3,5,6,7b-Hexahydro-2-hydroxy-6,6-dimethyl-4H-oxireno[h][1]benzopyran-4-one C11H14O4 210.089208 NA MeJP NA NA +MJ008252 1a,2,4,5,7,7a-Hexahydro-2-hydroxy-4,4-dimethyl-6H-oxireno[g][1]benzopyran-6-one C11H14O4 210.089208 NA MeJP NA NA +MJ008253 2',4',6'-Trihydroxy-3',5'-dimethylacetophenone; 4'-Me ether C11H14O4 210.089208 NA MeJP NA NA +MJ008254 2',4',6'-Trihydroxy-3'-methylacetophenone; 2',4'-Di-Me ether C11H14O4 210.089208 NA MeJP NA NA +MJ008255 2',4',6'-Trihydroxy-3'-methylacetophenone; 4',6'-Di-Me ether C11H14O4 210.089208 NA MeJP NA NA +MJ008256 2',4',6'-Trihydroxyacetophenone; Tri-Me ether C11H14O4 210.089208 NA MeJP NA NA +MJ008257 2',4'-Dihydroxyacetophenone; 4'-O-(2-Hydroxypropyl) C11H14O4 210.089208 NA MeJP NA NA +MJ008258 2,3-Dimethoxy-5-propyl-1,4-benzoquinone C11H14O4 210.089208 NA MeJP NA NA +MJ008259 2,4-Dihydroxy-3,5,6-trimethylbenzoic acid; Me ester C11H14O4 210.089208 NA MeJP NA NA +MJ008260 2,4-Dihydroxy-3,6-dimethylbenzoic acid; Et ester C11H14O4 210.089208 NA MeJP NA NA +MJ008261 2-Hydroxy-6-hydroxymethyl-3,5-dimethyl-1,4-benzoquinone; ?-O-Et C11H14O4 210.089208 NA MeJP NA NA +MJ008262 2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone C11H14O4 210.089208 NA MeJP NA NA +MJ008263 2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2-Me ether C11H14O4 210.089208 NA MeJP NA NA +MJ008264 2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4-Me ether C11H14O4 210.089208 NA MeJP NA NA +MJ008265 3-(2,4-Dihydroxyphenyl)propanoic acid; 4-Me ether, Me ester C11H14O4 210.089208 NA MeJP NA NA +MJ008266 3-(3,4,5-Trihydroxyphenyl)propanal; 3,5-Di-Me ether C11H14O4 210.089208 NA MeJP NA NA +MJ008267 3-Hydroxy-5-(4-hydroxyphenyl)pentanoic acid C11H14O4 210.089208 NA MeJP NA NA +MJ008268 3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone C11H14O4 210.089208 NA MeJP NA NA +MJ008269 6-Ethyl-2,4-dihydroxy-3-methylbenzoic acid; Me ester C11H14O4 210.089208 NA MeJP NA NA +MJ008270 9,10-Epoxy-8-hydroxy-9-methyl-2,4,6-decatrienoic acid C11H14O4 210.089208 NA MeJP NA NA +MJ008271 Agistatin A; Demethoxy, 2,3-didehydro C11H14O4 210.089208 NA MeJP NA NA +MJ008272 Anserinone B C11H14O4 210.089208 NA MeJP NA NA +MJ008273 Canadensolide C11H14O4 210.089208 NA MeJP NA NA +MJ008274 Cladobotrin II; 1'-Alcohol C11H14O4 210.089208 NA MeJP NA NA +MJ008275 Didemnenone C C11H14O4 210.089208 NA MeJP NA NA +MJ008276 Isopanepoxydone C11H14O4 210.089208 NA MeJP NA NA +MJ008277 Kobifuranone B; 1''-Hydroxy (ketone hydrate) C11H14O4 210.089208 NA MeJP NA NA +MJ008278 Neopanepoxydol; 5-Ketone C11H14O4 210.089208 NA MeJP NA NA +MJ008279 Panepoxydone C11H14O4 210.089208 NA MeJP NA NA +MJ008280 Pyrenocine A; 1'-Alcohol C11H14O4 210.089208 NA MeJP NA NA +MJ008281 Sinapyl alcohol C11H14O4 210.089208 NA MeJP NA NA +MJ008282 Terrestric acid C11H14O4 210.089208 NA MeJP NA NA +MJ008283 Xialenone C; 3a-Deoxy C11H14O4 210.089208 NA MeJP NA NA +MetaCyc01941 sinapyl-alcohol [] C11H14O4 210.089209 NA metacyc NA NA +MetaCyc01942 phlorisovalerophenone [3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one;PIVP;] C11H14O4 210.089209 NA metacyc NA NA +MetaCyc01943 6-(4-methyl-2-oxopentyl)-4-hydroxy-2-pyrone [] C11H14O4 210.089209 NA metacyc NA NA +MJ008284 3-Ethyl-4-methyl-1-pentanol, O-Sulfate C8H18O4S 210.092579 NA MeJP NA NA +MJ008285 6-Methyl-1-heptanol; O-Sulfate C8H18O4S 210.092579 NA MeJP NA NA +CJpos0557 Glu-Val [(M+H)-2(H2O)]+ C10H15N2O3 210.099875 C18rt(min)=4.3 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0557 Glu-Val [(M+H)-2(H2O)]+ C10H15N2O3 210.099875 C18rt(min)=4.3 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C07826 Aprobarbital C10H14N2O3 210.1004 NA KEGG NA NA +C15986 2,6-Dihydroxypseudooxynicotine C10H14N2O3 210.1004 NA KEGG NA NA +MJ008286 2,4-Diamino-3-hydroxybenzoic acid; N2,N4-Di-Me, Me ester C10H14N2O3 210.100442 NA MeJP NA NA +MJ008287 2-Amino-4-hydroxy-3-methyl-4-(2-pyridinyl)butanoic acid C10H14N2O3 210.100442 NA MeJP NA NA +MJ008288 5-Hydroxy-3,4'-dimethyl-[1,2'-bipyrrole]-2,5'(2'H,5H)-dione; 3',4'-Dihydro C10H14N2O3 210.100442 NA MeJP NA NA +MJ008289 Aprobarbital C10H14N2O3 210.100442 NA MeJP NA NA +MJ008290 Chinese bittersweet alkaloid I C10H14N2O3 210.100442 NA MeJP NA NA +MJ008291 Octahydro-2-hydroxy-5H,10H-dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione C10H14N2O3 210.100442 NA MeJP NA NA +MetaCyc01944 2,6-dihydroxypseudooxynicotine [] C10H14N2O3 210.100442 NA metacyc NA NA +FL1D99NS0001 Dihydrochalcone C15H14O 210.10446 1083-30-3 knapsack NA NA +MJ008292 1,3-Diphenyl-1-propanone C15H14O 210.104465 NA MeJP NA NA +MJ008293 1-(4-Hydroxyphenyl)-2-phenylethylene, Me ether C15H14O 210.104465 NA MeJP NA NA +MJ008294 2,2-Dimethylnaphtho[1,2-b]pyran C15H14O 210.104465 NA MeJP NA NA +MJ008295 4-Methyl-7-(1-methylethenyl)-1-azulenecarboxaldehyde C15H14O 210.104465 NA MeJP NA NA +MJ008296 5,7-Pentadecadien-9,11,13-triynal C15H14O 210.104465 NA MeJP NA NA +MJ008297 5,7-Pentadecadiene-9,11,13-triyn-2-one C15H14O 210.104465 NA MeJP NA NA +MJ008298 Chromolaenin; 9,10-Didehydro C15H14O 210.104465 NA MeJP NA NA +MJ008299 Linderazulene C15H14O 210.104465 NA MeJP NA NA +MJ008300 Obtusastyrene C15H14O 210.104465 NA MeJP NA NA +C09696 Lactaroviolin C15H14O 210.1045 NA KEGG NA NA +C14679 p-Methoxystilbene C15H14O 210.1045 NA KEGG NA NA +7981 synthetic peptide HKH 210.105 MH2+ Inhouse_peptide NA peptide +7986 synthetic peptide KHH 210.105 MH2+ Inhouse_peptide NA peptide +MJ008301 1H-Imidazole-4,5-dicarboxamide; N1-Et, 4N,5N-di-Me C9H14N4O2 210.111675 NA MeJP NA NA +MJ008302 2,5-Dimethyl-3-(2-phenylethenyl)pyrazine C14H14N2 210.115698 NA MeJP NA NA +MJ008303 Naphazoline C14H14N2 210.115698 NA MeJP NA NA +MJ008304 1-Hydroxy-11,12,13-trinor-7,10-chiloscyphanolide C12H18O3 210.125594 NA MeJP NA NA +MJ008305 1-Hydroxy-3,7-dimethyl-2,6-octadien-4-one, Ac C12H18O3 210.125594 NA MeJP NA NA +MJ008306 12-Hydroxy-5,8,10-dodecatrienoic acid C12H18O3 210.125594 NA MeJP NA NA +MJ008307 2(10)-Pinene-3,6-diol, 6-Ac C12H18O3 210.125594 NA MeJP NA NA +MJ008308 2,10-Dihydroxy-11,12,13-trinor-6-eremophilen-8-one C12H18O3 210.125594 NA MeJP NA NA +MJ008309 2-(2-Acetoxy-1-methylethenyl)-5-methylcyclopentanecarboxaldehyde C12H18O3 210.125594 NA MeJP NA NA +MJ008310 3-Myodeserten-1-ol, Ac C12H18O3 210.125594 NA MeJP NA NA +MJ008311 7-Hydroxy-p-menth-1-en-3-one, Ac C12H18O3 210.125594 NA MeJP NA NA +MJ008312 8-Hydroxy-p-menth-6-en-2-one, Ac C12H18O3 210.125594 NA MeJP NA NA +MJ008313 Crocinervolide C12H18O3 210.125594 NA MeJP NA NA +MJ008314 Elijopyrone D; 1',2'-Dihydro, 1'-hydroxy C12H18O3 210.125594 NA MeJP NA NA +MJ008315 Jasmonic acid C12H18O3 210.125594 NA MeJP NA NA +MJ008316 Libanotic acid C12H18O3 210.125594 NA MeJP NA NA +MJ008317 Patulolide C; 5-Ketone C12H18O3 210.125594 NA MeJP NA NA +MJ008318 Pulchellon C12H18O3 210.125594 NA MeJP NA NA +MJ008319 Putaminoxin C C12H18O3 210.125594 NA MeJP NA NA +MJ008320 Sedanonic acid C12H18O3 210.125594 NA MeJP NA NA +MJ008321 Umuravumbolide; O-De-Ac C12H18O3 210.125594 NA MeJP NA NA +MJ008322 p-Mentha-1(7),2-diene-8,9-diol; 9-Ac C12H18O3 210.125594 NA MeJP NA NA +MJ008323 p-Mentha-1,3,5-triene-2,3,5-triol; 2,3-Di-Me ether C12H18O3 210.125594 NA MeJP NA NA +MJ008324 p-Mentha-1,3,5-triene-2,3,5-triol; 3,5-Di-Me ether C12H18O3 210.125594 NA MeJP NA NA +MetaCyc01945 (-)-jasmonate [(-)-jasmonic acid;jasmonic acid;(3R,7R)-(-)-jasmonate;] C12H18O3 210.125594 NA metacyc NA NA +MetaCyc01946 (+)-7-isojasmonate [(+)-7-isojasmonic acid;isojasmonic acid;(3R,7S)-(+)-7-isojasmonate;] C12H18O3 210.125594 NA metacyc NA NA +MetaCyc01947 (+)-jasmonate [(3S,7S) (+)-jasmonate;] C12H18O3 210.125594 NA metacyc NA NA +MetaCyc01948 (-)-7-isojasmonate [(3S,7R)-(-)-7-isojasmonate;] C12H18O3 210.125594 NA metacyc NA NA +C08491 (-)-Jasmonic acid C12H18O3 210.1256 NA KEGG NA NA +C16317 (+)-7-Isojasmonic acid C12H18O3 210.1256 NA KEGG NA NA +MJ008325 1-Hydroxy-3-isobutyl-6-isopropyl-2(1H)-pyrazinone C11H18N2O2 210.136827 NA MeJP NA NA +MJ008326 1-Hydroxy-6-isopropyl-3-(1-methylpropyl)-2(1H)-pyrazinone C11H18N2O2 210.136827 NA MeJP NA NA +MJ008327 1H-Imidazole-1-octanoic acid C11H18N2O2 210.136827 NA MeJP NA NA +MJ008328 Cyclo(4-methylprolylnorvalyl) C11H18N2O2 210.136827 NA MeJP NA NA +MJ008329 Cyclo(leucylprolyl) C11H18N2O2 210.136827 NA MeJP NA NA +MJ008330 Loline; N-De-Me, N-(2-methylpropanoyl) C11H18N2O2 210.136827 NA MeJP NA NA +MJ008331 Loline; N-De-Me, N-butanoyl C11H18N2O2 210.136827 NA MeJP NA NA +MJ008332 Mutaaspergillic acid; N-Deoxy C11H18N2O2 210.136827 NA MeJP NA NA +MJ008333 1,6,8,14-Hexadecatetraene-10,12-diyne C16H18 210.14085 NA MeJP NA NA +MJ008334 1,7-Hexadecadiene-10,12,14-triyne C16H18 210.14085 NA MeJP NA NA +C17063 Salicifoline C12H20NO2 210.1494 NA KEGG NA NA +MJ008335 Tris(dimethylamino)-1,3,5-triazine C9H18N6 210.159294 NA MeJP NA NA +MJ008336 1,5-Undecadien-3-ol, Ac C13H22O2 210.161979 NA MeJP NA NA +MJ008337 2,4,6-Trimethyl-2,4-decadienoic acid C13H22O2 210.161979 NA MeJP NA NA +MJ008338 2,6-Dodecadienoic acid, Me ester C13H22O2 210.161979 NA MeJP NA NA +MJ008339 3,3,6-Trimethyl-1,5-heptadien-4-ol, Propanoyl C13H22O2 210.161979 NA MeJP NA NA +MJ008340 3,7-Dimethyl-2,7-octadien-1-ol, Propanoyl C13H22O2 210.161979 NA MeJP NA NA +MJ008341 3-Hydroxy-5,8-megastigmadien-7-one, 8,9-Dihydro C13H22O2 210.161979 NA MeJP NA NA +MJ008342 4,7-Megastigmadiene-3,9-diol C13H22O2 210.161979 NA MeJP NA NA +MJ008343 4-Octyl-1,3-cyclopentanedione C13H22O2 210.161979 NA MeJP NA NA +MJ008344 5(13),7-Megastigmadiene-6,9-diol C13H22O2 210.161979 NA MeJP NA NA +MJ008345 5-Megastigmene-3,9-diol; 3?-form, 9-Ketone C13H22O2 210.161979 NA MeJP NA NA +MJ008346 5-Methyl-2-octyl-3(2H)-furanone C13H22O2 210.161979 NA MeJP NA NA +MJ008347 7-Methyl-3-methylene-7-octen-1-ol; Propanoyl C13H22O2 210.161979 NA MeJP NA NA +MJ008348 9,10-Epoxytetrahydroedulan C13H22O2 210.161979 NA MeJP NA NA +MJ008349 9-Hydroxy-4-megastigmen-3-one C13H22O2 210.161979 NA MeJP NA NA +MJ008350 9-Hydroxy-5-megastigmen-4-one C13H22O2 210.161979 NA MeJP NA NA +MJ008351 1-Aminopyrrolizidine, N1-(2-Methylbutanoyl) C12H22N2O 210.173213 NA MeJP NA NA +MJ008352 4,5-Dihydro-N-(2-propylcyclohexyl)-2-oxazolamine C12H22N2O 210.173213 NA MeJP NA NA +MJ008353 Cytisus laburnum Alkaloid C12H22N2O 210.173213 NA MeJP NA NA +MJ008354 N-(2-Ethyl-6-methylcyclohexyl)-4,5-dihydro-2-oxazolamine C12H22N2O 210.173213 NA MeJP NA NA +MJ008355 Pexantel C12H22N2O 210.173213 NA MeJP NA NA +MJ008356 11-Nor-8,9-drimanediol, 9-Deoxy C14H26O 210.198365 NA MeJP NA NA +MJ008357 11-Tetradecenal C14H26O 210.198365 NA MeJP NA NA +MJ008358 2,4-Tetradecadien-1-ol C14H26O 210.198365 NA MeJP NA NA +MJ008359 4,6,8-Trimethyl-7,9-undecadien-5-ol C14H26O 210.198365 NA MeJP NA NA +MJ008360 5-Tetradecenal C14H26O 210.198365 NA MeJP NA NA +MJ008361 7-Methyl-3-propyl-2,6-decadien-1-ol C14H26O 210.198365 NA MeJP NA NA +MJ008362 7-Tetradecen-2-one C14H26O 210.198365 NA MeJP NA NA +MJ008363 7-Tetradecenal C14H26O 210.198365 NA MeJP NA NA +MJ008364 9,12-Tetradecadien-1-ol C14H26O 210.198365 NA MeJP NA NA +MJ008365 9-Tetradecenal C14H26O 210.198365 NA MeJP NA NA +MJ008366 Cyclotetradecanone C14H26O 210.198365 NA MeJP NA NA +MJ008367 1-Pentadecene C15H30 210.23475 NA MeJP NA NA +MJ008368 7-Pentadecene C15H30 210.23475 NA MeJP NA NA +7907 synthetic peptide HEH 210.579 MH2+ Inhouse_peptide NA peptide +7979 synthetic peptide EHH 210.579 MH2+ Inhouse_peptide NA peptide +7863 peptide from prawn muscle (Penaeus japonicus) FKK 210.628 MH2+ Inhouse_peptide NA peptide +MJ008369 5-Bromo-5-nitro-1,3-dioxane C4H6BrNO4 210.94802 NA MeJP NA NA +MJ008370 (3-Bromo-4-hydroxyphenyl)acetic acid; Nitrile C8H6BrNO 210.963276 NA MeJP NA NA +MJ008371 6-Bromo-5-hydroxy-1H-indole C8H6BrNO 210.963276 NA MeJP NA NA +MJ008372 Selenomethionine, Se-Me C6H14NO2Se(+) 211.01115 NA MeJP NA NA +MJ008373 3,5-Dinitrobenzoic acid; Amide C7H5N3O5 211.02292 NA MeJP NA NA +JH115 Kynurenic acid [M+Na]+ NA 211.0246 12.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH115 Kynurenic acid [M+Na]+ NA 211.0246 12.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH115 Kynurenic acid [M+Na]+ NA 211.0246 12.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH115 Kynurenic acid [M+Na]+ NA 211.0246 12.5 Inhousejuil11 NA NA +C02305 Phosphocreatine C4H10N3O5P 211.0358 NA KEGG NA NA +MJ008374 Phosphocreatine C4H10N3O5P 211.035807 NA MeJP NA NA +MetaCyc01949 creatine-phosphate [N-phosphocreatine;neo-ton;phosphorylcreatine;phosphocreatine;P-creatine;creatine-P;] C4H10N3O5P1 211.035807 67-07-2 metacyc NA NA +HMDB01511 Phosphocreatine C4H10N3O5P 211.03581 http://www.hmdb.ca/metabolites/HMDB01511 HMDB NA NA +HMDB01511 Phosphocreatine C4H10N3O5P 211.03581 HMDB01511 PFEM_hmdb_metabocards_official NA NA +HMDB01511 Phosphocreatine C4H10N3O5P 211.035812 NA HMDB2010 NA NA +C14266 p-Chloroacetoacetanilide C10H10ClNO2 211.04 NA KEGG NA NA +MJ008375 Chlorthenoxazine C10H10ClNO2 211.040006 NA MeJP NA NA +HMDB11639 Topaquinone C9H9NO5 211.048065 NA HMDB2010 NA NA +MJ008376 5-(2'-Formylethyl)-4,6-dihydroxypicolinate C9H9NO5 211.048072 NA MeJP NA NA +MJ008377 2,3-Dihydroxybenzoylglycine C9H9NO5 211.048072 NA MeJP NA NA +MJ008378 2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one, N-Hydroxy, O7-Me C9H9NO5 211.048072 NA MeJP NA NA +MJ008379 2-Amino-3,6-dihydroxybenzoic acid; N-Ac C9H9NO5 211.048072 NA MeJP NA NA +MJ008380 3-(4-Hydroxy-3-nitrophenyl)propanoic acid C9H9NO5 211.048072 NA MeJP NA NA +MJ008381 Betalamic acid C9H9NO5 211.048072 NA MeJP NA NA +MJ008382 Muscaflavin C9H9NO5 211.048072 NA MeJP NA NA +MJ008383 ?-Amino-3-carboxy-4-hydroxybenzeneacetic acid C9H9NO5 211.048072 NA MeJP NA NA +MetaCyc01950 topaquinone [6-hydroxydopa quinone;] C9H9N1O5 211.048072 NA metacyc NA NA +MetaCyc01951 DIMBOA [2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one;] C9H9N1O5 211.048072 NA metacyc NA NA +MetaCyc01952 2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one [] C9H9N1O5 211.048072 NA metacyc NA NA +C04720 DIMBOA C9H9NO5 211.0481 NA KEGG NA NA +C05654 5-(2'-Formylethyl)-4,6-dihydroxypicolinate C9H9NO5 211.0481 NA KEGG NA NA +C08538 Betalamic acid C9H9NO5 211.0481 NA KEGG NA NA +CJpos0558 Dihydroxyphenylethyleneglycol isomer [(M+Na)+(H2O)]+ (13C) C713CH12NaO5 211.053275 C18rt(min)=5.3 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0558 Dihydroxyphenylethyleneglycol isomer [(M+Na)+(H2O)]+ (13C) C713CH12NaO5 211.053275 C18rt(min)=5.3 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +PARAC026 UNKNOWN signif manip paracetamol NA 211.0548 RT1.9 PFEM_hmdb_metabocards_urine NA urine +PARAC026 UNKNOWN signif manip paracetamol NA 211.0548 RT1.9 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC026 UNKNOWN signif manip paracetamol NA 211.0548 RT1.9 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC026 UNKNOWN signif manip paracetamol NA 211.0548 RT1.9 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC026 UNKNOWN signif manip paracetamol NA 211.0548 RT1.9 HMDB NA NA +PARAC026 UNKNOWN signif manip paracetamol NA 211.0548 RT1.9 Inhouse_PFEM NA NA +PARAC026 UNKNOWN signif manip paracetamol NA 211.0548 RT1.9 PFEM_hmdb_metabocards_blood NA blood +PARAC026 UNKNOWN signif manip paracetamol NA 211.0548 RT1.9 PFEM_hmdb_metabocards_official NA NA +C13280 Nicorandil C8H9N3O4 211.0593 NA KEGG NA NA +C13281 Transferred to D01811 C8H9N3O4 211.0593 NA KEGG NA NA +C13282 Transferred to D01812 C8H9N3O4 211.0593 NA KEGG NA NA +C13283 Transferred to D01813 C8H9N3O4 211.0593 NA KEGG NA NA +C13284 Transferred to D01814 C8H9N3O4 211.0593 NA KEGG NA NA +C13285 Transferred to D01815 C8H9N3O4 211.0593 NA KEGG NA NA +C13286 Transferred to D01816 C8H9N3O4 211.0593 NA KEGG NA NA +C13287 Transferred to D01817 C8H9N3O4 211.0593 NA KEGG NA NA +C13288 Transferred to D01818 C8H9N3O4 211.0593 NA KEGG NA NA +C13289 Transferred to D01819 C8H9N3O4 211.0593 NA KEGG NA NA +C13290 Transferred to D01820 C8H9N3O4 211.0593 NA KEGG NA NA +C13291 Transferred to D01821 C8H9N3O4 211.0593 NA KEGG NA NA +C13292 Transferred to D01822 C8H9N3O4 211.0593 NA KEGG NA NA +C13293 Transferred to D01823 C8H9N3O4 211.0593 NA KEGG NA NA +C13294 Transferred to D01824 C8H9N3O4 211.0593 NA KEGG NA NA +C13295 Transferred to D01825 C8H9N3O4 211.0593 NA KEGG NA NA +C13296 Transferred to D01826 C8H9N3O4 211.0593 NA KEGG NA NA +MJ008384 Nicorandil C8H9N3O4 211.059305 NA MeJP NA NA +MJ008385 N-(3-Chlorophenyl)imidodicarbonimidic diamide C8H10ClN5 211.062473 NA MeJP NA NA +C13646 m-Chlorophenylbiguanide C8H10ClN5 211.0625 NA KEGG NA NA +C13647 Transferred to D02115 C8H10ClN5 211.0625 NA KEGG NA NA +C13648 Transferred to D02116 C8H10ClN5 211.0625 NA KEGG NA NA +C13649 Transferred to D02117 C8H10ClN5 211.0625 NA KEGG NA NA +C10923 2-Nitrofluorene C13H9NO2 211.0633 NA KEGG NA NA +C14952 3-Amino-6H-dibenzo[b,d]pyran-6-one C13H9NO2 211.0633 NA KEGG NA NA +MJ008386 1-Hydroxy-9H-carbazole-3-carboxaldehyde C13H9NO2 211.063328 NA MeJP NA NA +MJ008387 1-Hydroxyacridone C13H9NO2 211.063328 NA MeJP NA NA +MJ008388 2-Hydroxy-9H-carbazole-3-carboxylic acid; 3-Aldehyde C13H9NO2 211.063328 NA MeJP NA NA +MJ008389 3-Methyl-1H-carbazole-1,4(9H)-dione C13H9NO2 211.063328 NA MeJP NA NA +MJ008390 7-Hydroxy-9H-carbazole-3-carboxaldehyde C13H9NO2 211.063328 NA MeJP NA NA +MJ008391 Dielsinol; Deoxy C13H9NO2 211.063328 NA MeJP NA NA +MJ008392 Onychine; 8-Hydroxy C13H9NO2 211.063328 NA MeJP NA NA +CJpos0559 Aminosalicyluric acid [(M+H)]+ (13C) C813CH11N2O4 211.066875 C18rt(min)=4.5 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0559 Aminosalicyluric acid [(M+H)]+ (13C) C813CH11N2O4 211.066875 C18rt(min)=4.5 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJneg0384 Aminosalicyluric acid [(M-H)]- (13C) C813CH9N2O4 211.067925 C18rt(min)=4.5 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0384 Aminosalicyluric acid [(M-H)]- (13C) C813CH9N2O4 211.067925 C18rt(min)=4.5 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ008393 8-Amino-1-hydroxyphenazine C12H9N3O 211.074561 NA MeJP NA NA +MJ008394 ?-Carboline-1-carboxylic acid; Amide C12H9N3O 211.074561 NA MeJP NA NA +MJ008395 Milrinone C12H9N3O 211.074561 NA MeJP NA NA +C07224 Milrinone C12H9N3O 211.0746 NA KEGG NA NA +MJ008396 Fenaclon C11H14ClNO 211.076391 NA MeJP NA NA +HMDB01434 3-Methoxytyrosine C10H13NO4 211.084457 NA HMDB2010 NA NA +HMDB11754 Methyldopa C10H13NO4 211.084457 NA HMDB2010 NA NA +MJ008397 2-Amino-3-(2,4-dihydroxy-6-methylphenyl)propanoic acid C10H13NO4 211.084457 NA MeJP NA NA +MJ008398 2-Amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid C10H13NO4 211.084457 NA MeJP NA NA +MJ008399 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, 3'-Me ether C10H13NO4 211.084457 NA MeJP NA NA +MJ008400 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, Me ester C10H13NO4 211.084457 NA MeJP NA NA +MJ008401 2-Amino-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid C10H13NO4 211.084457 NA MeJP NA NA +MJ008402 4-(2-Formyl-5-hydroxymethyl-1H-pyrrol-1-yl)butanoic acid C10H13NO4 211.084457 NA MeJP NA NA +MJ008403 Enicoflavine C10H13NO4 211.084457 NA MeJP NA NA +MJ008404 Lisadimate C10H13NO4 211.084457 NA MeJP NA NA +MJ008405 Norepinephrine, N-Ac C10H13NO4 211.084457 NA MeJP NA NA +MetaCyc01953 α-methyldopa [α-methyl-L-dopa;α-methyldopa;] C10H13N1O4 211.084458 555-30-6 metacyc NA NA +HMDB01434 3-Methoxytyrosine C10H13NO4 211.08446 http://www.hmdb.ca/metabolites/HMDB01434 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01434 3-Methoxytyrosine C10H13NO4 211.08446 http://www.hmdb.ca/metabolites/HMDB01434 HMDB NA NA +HMDB01434 3-Methoxytyrosine C10H13NO4 211.08446 NA ;SYN:L-N-amidinoaspartic acid; N-(aminoiminomethyl)-L-aspartic acid; N-Amidino-L-aspartate; N-amidino-L-aspartic acid; N-carbamimidoyl-L-aspartic acid; GuanidinosuccinateH2Blood; Cellular Cytoplasm; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB01434 3-Methoxytyrosine C10H13NO4 211.08446 http://www.hmdb.ca/metabolites/HMDB01434 PFEM_hmdb_metabocards_blood NA blood +HMDB01434 3-Methoxytyrosine C10H13NO4 211.08446 HMDB01434 PFEM_hmdb_metabocards_official NA NA +C07194 Methyldopa anhydrous C10H13NO4 211.0845 NA KEGG NA NA +C09946 Enicoflavine C10H13NO4 211.0845 NA KEGG NA NA +MJ008406 1-(6-Chloro-2-pyridinyl)-4-piperidinamine C10H14ClN3 211.087625 NA MeJP NA NA +MJ008407 Chlorobethanidine C10H14ClN3 211.087625 NA MeJP NA NA +MJ008408 Pentopyranine A C9H13N3O3 211.095691 NA MeJP NA NA +MJ008409 Zalcitabine C9H13N3O3 211.095691 NA MeJP NA NA +C07207 Zalcitabine C9H13N3O3 211.0957 NA KEGG NA NA +MJ008410 1-Hydroxy-3-methyl-9H-carbazole; Me ether C14H13NO 211.099714 NA MeJP NA NA +MJ008411 2-Hydroxy-3-methyl-9H-carbazole; Me ether C14H13NO 211.099714 NA MeJP NA NA +MJ008412 3-Hydroxy-6-methyl-9H-carbazole; Me ether C14H13NO 211.099714 NA MeJP NA NA +MJ008413 4-Hydroxy-6-methyl-9H-carbazole; Me ether C14H13NO 211.099714 NA MeJP NA NA +MJ008414 Norletimol C14H13NO 211.099714 NA MeJP NA NA +8149 peptide derived from bovine k-casein (28-30) IQY 211.1025 MH2+ Inhouse_peptide NA peptide +8180 peptide derived from bovine k-casein (28-30) IQY 211.1025 MH2+ Inhouse_peptide NA peptide +8267 f(28-30) of bovine kappa casein IQY 211.1025 MH2+ Inhouse_peptide NA peptide +MJ008415 Heteromine H C8H13N5O2 211.106924 NA MeJP NA NA +MJ008416 N-(3-Chloropropyl)-?-methylphenethylamine C12H18ClN 211.112777 NA MeJP NA NA +MJ008417 Xylamine C12H18ClN 211.112777 NA MeJP NA NA +MJ008418 Pramipexole C10H17N3S 211.114318 NA MeJP NA NA +3769 dipeptidyl carboxypeptidase inhibitor PPLP 211.12 MH2+ Inhouse_peptide NA peptide +7656 ACE inhibitor from wakame IYK 211.1205 MH2+ Inhouse_peptide NA peptide +8229 ACE inhibitor IKY 211.1205 MH2+ Inhouse_peptide NA peptide +C06546 Mescaline C11H17NO3 211.1208 NA KEGG NA NA +C07056 Isoproterenol C11H17NO3 211.1208 NA KEGG NA NA +C07057 Transferred to D00347 C11H17NO3 211.1208 NA KEGG NA NA +C07058 Transferred to D00348 C11H17NO3 211.1208 NA KEGG NA NA +C07059 Transferred to D00349 C11H17NO3 211.1208 NA KEGG NA NA +C07060 Transferred to D00350 C11H17NO3 211.1208 NA KEGG NA NA +C07061 Transferred to D00351 C11H17NO3 211.1208 NA KEGG NA NA +C07144 Metaproterenol C11H17NO3 211.1208 NA KEGG NA NA +C07145 Transferred to D00379 C11H17NO3 211.1208 NA KEGG NA NA +C07513 Methoxamine C11H17NO3 211.1208 NA KEGG NA NA +C11703 L-Isoprenaline C11H17NO3 211.1208 NA KEGG NA NA +MJ008419 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O9-Me, O7-Ac C11H17NO3 211.120843 NA MeJP NA NA +MJ008420 3-Hydroxy-4,5-dimethoxyphenethylamine; N-Me C11H17NO3 211.120843 NA MeJP NA NA +MJ008421 Dioxethedrin C11H17NO3 211.120843 NA MeJP NA NA +MJ008422 Isoprenaline C11H17NO3 211.120843 NA MeJP NA NA +MJ008423 Macromerine, N-De-Me C11H17NO3 211.120843 NA MeJP NA NA +MJ008424 Mescaline C11H17NO3 211.120843 NA MeJP NA NA +MJ008425 Metanephrine; N-Me C11H17NO3 211.120843 NA MeJP NA NA +MJ008426 Methoxamine C11H17NO3 211.120843 NA MeJP NA NA +MJ008427 Orciprenaline C11H17NO3 211.120843 NA MeJP NA NA +MJ008428 Tetrahydrocantleyine C11H17NO3 211.120843 NA MeJP NA NA +MJ008429 ?-Methyl-?-phenylbenzeneethanamine C15H17N 211.136099 NA MeJP NA NA +MJ008430 Dibenzylamine; N-Me C15H17N 211.136099 NA MeJP NA NA +MJ008431 Flerobuterol C12H18FNO 211.137242 NA MeJP NA NA +C10592 Elaeokanine C C12H21NO2 211.1572 NA KEGG NA NA +MJ008432 8-Azabicyclo[3.2.1]octan-3-ol, O-(2-Methylbutanoyl) C12H21NO2 211.157228 NA MeJP NA NA +MJ008433 8-Azabicyclo[3.2.1]octan-3-ol, O-(3-Methylbutanoyl) C12H21NO2 211.157228 NA MeJP NA NA +MJ008434 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(2-Methylpropanoyl) C12H21NO2 211.157228 NA MeJP NA NA +MJ008435 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-Butanoyl C12H21NO2 211.157228 NA MeJP NA NA +MJ008436 Elaeokanine C C12H21NO2 211.157228 NA MeJP NA NA +MJ008437 Epilupinine, Ac C12H21NO2 211.157228 NA MeJP NA NA +MJ008438 Pumiliotoxin C, 6R-Hydroxy C13H25NO 211.193614 NA MeJP NA NA +7921 synthetic peptide MHH 211.5782 MH2+ Inhouse_peptide NA peptide +8227 ACE inhibitor IEY 211.5945 MH2+ Inhouse_peptide NA peptide +7655 ACE inhibitor from wakame YNK 211.59995 MH2+ Inhouse_peptide NA peptide +HMDB06469 Linoleyl carnitine C25H45NO4 211.6674345 MH2+ Inhouse_peptide NA peptide +MJ008439 3,3-Dibromo-2-propenal C3H2Br2O 211.847239 NA MeJP NA NA +MJ008440 Strontium nitrate N2O6Sr 211.88125 NA MeJP NA NA +MJ008441 2,3,6-Trichlorohydroquinone C6H3Cl3O2 211.919862 NA MeJP NA NA +MetaCyc01954 2,3,6-trichlorohydroquinone [] C6H3O2CL3 211.919862 NA metacyc NA NA +C07099 2,3,6-Trichlorohydroquinone C6H3Cl3O2 211.9199 NA KEGG NA NA +C12831 3,4,6-Trichlorocatechol C6H3Cl3O2 211.9199 NA KEGG NA NA +C00324 Ferricyanide C6FeN6 211.9534 NA KEGG NA NA +C01913 Ferrocyanide C6FeN6 211.9534 NA KEGG NA NA +C01915 Galactolipid C6H11O6R 211.9534 NA KEGG NA NA +MJ008442 Thiotropocin C8H4O3S2 211.960185 NA MeJP NA NA +MJ008443 Troposulfenin C8H4O3S2 211.960185 NA MeJP NA NA +C12105 Thiotropocin C8H4O3S2 211.9602 NA KEGG NA NA +MJ008444 4-Amino-5-bromopyrrolo[2,3-d]pyrimidine C6H5BrN4 211.969758 NA MeJP NA NA +MetaCyc01955 thialysine [γ-thialysine;S-2-aminoethyl cysteine;4-thialysine;] C5H12N2O2SE1 212.006399 NA metacyc NA NA +C17947 2-Phosphinomethylmalate C5H9O7P 212.0086 NA KEGG NA NA +CJneg0385 Ascorbic acid [(M+Cl)]- C6H8ClO6 212.009325 C18rt(min)=1.04 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0385 Ascorbic acid [(M+Cl)]- C6H8ClO6 212.009325 C18rt(min)=1.04 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C05690 Se-Methylselenomethionine C6H14NO2Se 212.019 NA KEGG NA NA +MJ008445 4-Chloro-7-hydroxy-5-methoxy-2-methylbenzofuran C10H9ClO3 212.024021 NA MeJP NA NA +MJ008446 Clorindanic acid C10H9ClO3 212.024021 NA MeJP NA NA +MJ008447 1,2-Benzisoxazole-3-methanesulfonic acid; Amide C8H8N2O3S 212.025562 NA MeJP NA NA +C07504 Zonisamide C8H8N2O3S 212.0256 NA KEGG NA NA +MJ008448 2-(3,4-Epoxy-1-butynyl)-5-(1,3-pentadiynyl)thiophene C13H8OS 212.029585 NA MeJP NA NA +MJ008449 5-[5-(3-Buten-1-ynyl)-2-thienyl]-2-penten-4-yn-1-ol, 1-Aldehyde C13H8OS 212.029585 NA MeJP NA NA +MJ008450 [4-[5-(1-Propynyl)-2-thienyl]-1,3-butadiynyl]oxirane C13H8OS 212.029585 NA MeJP NA NA +MJ008451 2-Formyl-3,5-dihydroxy-4-hydroxymethylbenzoic acid C9H8O6 212.032087 NA MeJP NA NA +MJ008452 4-Oxo-4H-pyran-2,6-dicarboxylic acid; Di-Me ester C9H8O6 212.032087 NA MeJP NA NA +MJ008453 3-(2-Carboxyethenyl)-cis,cis-muconate C9H8O6 212.032088 NA MeJP NA NA +MetaCyc01956 3-(2-carboxyethenyl)-cis,cis-muconate [] C9H8O6 212.032088 NA metacyc NA NA +C04366 3-(2-Carboxyethenyl)-cis,cis-muconate C9H8O6 212.0321 NA KEGG NA NA +C12624 2-Hydroxy-6-ketononatrienedioate C9H8O6 212.0321 NA KEGG NA NA +MJ008454 1-(Methylthio)propyl propyl disulfide; 2-Oxide C7H16OS3 212.036327 NA MeJP NA NA +MJ008455 Methyl 1-(propylthio)propyl disulfide; 5-Oxide C7H16OS3 212.036327 NA MeJP NA NA +MJ008456 1H-Naphtho[2,3-c]pyran-5,10-dione C13H8O3 212.047344 NA MeJP NA NA +MJ008457 2-Hydroxyxanthone C13H8O3 212.047344 NA MeJP NA NA +MJ008458 3-Hydroxy-6H-dibenzo[b,d]pyran-6-one C13H8O3 212.047344 NA MeJP NA NA +MJ008459 4-Hydroxyxanthone C13H8O3 212.047344 NA MeJP NA NA +MJ008460 Peniophorin B C13H8O3 212.047344 NA MeJP NA NA +CJneg0386 1-Methylxanthine [(M-H)+(HCOOH)]- C7H7N4O4 212.055125 C18rt(min)=4.23 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0386 1-Methylxanthine [(M-H)+(HCOOH)]- C7H7N4O4 212.055125 C18rt(min)=4.23 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ008461 6-Azidotetrazolo[5,1-a]phthalazine C8H4N8 212.055892 NA MeJP NA NA +MJ008462 Isophenoxazine C12H8N2O2 212.058577 NA MeJP NA NA +MJ008463 1,6-Phenazinediol C12H8N2O2 212.058577 NA MeJP NA NA +MJ008464 1,8-Phenazinediol C12H8N2O2 212.058577 NA MeJP NA NA +MJ008465 1,9-Phenazinediol C12H8N2O2 212.058577 NA MeJP NA NA +MJ008466 1-Phenazinol; 10-Oxide C12H8N2O2 212.058577 NA MeJP NA NA +MJ008467 2,3-Phenazinediol C12H8N2O2 212.058577 NA MeJP NA NA +MJ008468 2-Amino-3H-phenoxazin-3-one C12H8N2O2 212.058577 NA MeJP NA NA +MJ008469 Demethyloxyaaptamine C12H8N2O2 212.058577 NA MeJP NA NA +MetaCyc01957 isophenoxazine [2-amino-3H-phenoxazin-3-one;2-amino-phenoxazin-3-one;questiomycin A;2-aminophenoxazon;2-aminophenoxazone;2-amino-3-phenoxazone;] C12H8N2O2 212.058578 NA metacyc NA NA +C02161 Isophenoxazine C12H8N2O2 212.0586 NA KEGG NA NA +MJ008470 1,2,3,4-Tetrahydro-7-isoquinolinesulfonamide C9H12N2O2S 212.061948 NA MeJP NA NA +MJ008471 Cyclo(prolylthioprolyl) C9H12N2O2S 212.061948 NA MeJP NA NA +HMDB00913 Vanillactic acid C10H12O5 212.06847 http://www.hmdb.ca/metabolites/HMDB00913 PFEM_hmdb_metabocards_urine NA urine +HMDB00913 Vanillactic acid C10H12O5 212.06847 http://www.hmdb.ca/metabolites/HMDB00913 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00913 Vanillactic acid C10H12O5 212.06847 http://www.hmdb.ca/metabolites/HMDB00913 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00913 Vanillactic acid C10H12O5 212.06847 http://www.hmdb.ca/metabolites/HMDB00913 HMDB NA NA +HMDB00913 Vanillactic acid C10H12O5 212.06847 HMDB00913 PFEM_hmdb_metabocards_official NA NA +MJ008472 1-(3,4-Dihydroxyphenyl)-2,3-dihydroxy-1-propanone; 3'-Me ether C10H12O5 212.068473 NA MeJP NA NA +MJ008473 2,3',4',5'-Tetrahydroxyacetophenone; 3',5'-Di-Me ether C10H12O5 212.068473 NA MeJP NA NA +MJ008474 2,3,4,6-Tetrahydroxybenzaldehyde; 2,3,4-Tri-Me ether C10H12O5 212.068473 NA MeJP NA NA +MJ008475 2,3,4-Trihydroxybenzoic acid; 3,4-Di-Me ether, Me ester C10H12O5 212.068473 NA MeJP NA NA +MJ008476 2,5-Furandipropanoic acid C10H12O5 212.068473 NA MeJP NA NA +MJ008477 3,4,5-Trihydroxybenzoic acid; 3,5-Di-Me ether, Me ester C10H12O5 212.068473 NA MeJP NA NA +MJ008478 3,4,5-Trihydroxybenzoic acid; 4-Me ether, Et ester C10H12O5 212.068473 NA MeJP NA NA +MJ008479 3,4,5-Trihydroxybenzoic acid; Propyl ester C10H12O5 212.068473 NA MeJP NA NA +MJ008480 3,4,5-Trihydroxybenzoic acid; Tri-Me ether C10H12O5 212.068473 NA MeJP NA NA +MJ008481 3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, Me ester C10H12O5 212.068473 NA MeJP NA NA +MJ008482 Asperlin C10H12O5 212.068473 NA MeJP NA NA +MJ008483 Gelsemide C10H12O5 212.068473 NA MeJP NA NA +MJ008484 Gentiolactone C10H12O5 212.068473 NA MeJP NA NA +MJ008485 Humicolactone C10H12O5 212.068473 NA MeJP NA NA +MJ008486 Pyrenolide D C10H12O5 212.068473 NA MeJP NA NA +MJ008487 Ramulosin; 4?-Hydroxy, 6,7-didehydro, 6?,7?-epoxide C10H12O5 212.068473 NA MeJP NA NA +MetaCyc01958 n-propyl-gallate [propyl 3,4,5-trihydroxybenzoate;gallic acid propyl ester;] C10H12O5 212.068473 NA metacyc NA NA +HMDB00913 Vanillactic acid C10H12O5 212.068481 NA HMDB2010 NA NA +C10674 Danielone C10H12O5 212.0685 NA KEGG NA NA +C11155 n-Propyl gallate C10H12O5 212.0685 NA KEGG NA NA +MJ008488 N-[(3-Chlorophenyl)methyl]-N'-ethylurea C10H13ClN2O 212.07164 NA MeJP NA NA +7601 ACE inhibitor GH 212.079 antioxidative Inhouse_peptide NA peptide +7614 ACE inhibitor HG 212.079 antioxidative Inhouse_peptide NA peptide +C01408 Benzoin C14H12O2 212.0837 NA KEGG NA NA +C01745 Pinosylvin C14H12O2 212.0837 NA KEGG NA NA +C04468 (+)-cis-3,4-Dihydrophenanthrene-3,4-diol C14H12O2 212.0837 NA KEGG NA NA +C11428 trans-9(S),10(S)-Dihydrodiolphenanthrene C14H12O2 212.0837 NA KEGG NA NA +C14233 4,4'-Dihydroxystilbene C14H12O2 212.0837 NA KEGG NA NA +C16203 Anthracene cis-1,2-dihydrodiol C14H12O2 212.0837 NA KEGG NA NA +C16205 Anthracene-9,10-dihydrodiol C14H12O2 212.0837 NA KEGG NA NA +MJ008489 Pinosylvin C14H12O2 212.083729 NA MeJP NA NA +MJ008490 1-Phenyl-2,4-hexadiyn-1-ol, Ac C14H12O2 212.083729 NA MeJP NA NA +MJ008491 2,4,6,12-Tetradecatetraene-8,10-diynoic acid C14H12O2 212.083729 NA MeJP NA NA +MJ008492 2-(2,4-Hexadiynylidene)-5-(propionylmethylidene)-2,5-dihydrofuran C14H12O2 212.083729 NA MeJP NA NA +MJ008493 2-(3-Phenyl-1-propynyl)furan; 2'-Methoxy C14H12O2 212.083729 NA MeJP NA NA +MJ008494 3,4'-Dihydroxystilbene C14H12O2 212.083729 NA MeJP NA NA +MJ008495 3,5-Dihydroxystilbene C14H12O2 212.083729 NA MeJP NA NA +MJ008496 4-Biphenylacetic acid C14H12O2 212.083729 NA MeJP NA NA +MJ008497 6H,12H-Dibenzo[b,f][1,5]dioxocin C14H12O2 212.083729 NA MeJP NA NA +MJ008498 Benzoic acid; Benzyl ester C14H12O2 212.083729 NA MeJP NA NA +MJ008499 Diphenylacetic acid C14H12O2 212.083729 NA MeJP NA NA +MJ008500 Diphenylmethane-2-carboxylic acid C14H12O2 212.083729 NA MeJP NA NA +MetaCyc01959 benzoin [2-Hydroxy-1,2-diphenylethanone;] C14H12O2 212.08373 119-53-9 metacyc NA NA +MetaCyc01960 benzylbenzoate [] C14H12O2 212.08373 NA metacyc NA NA +MetaCyc01961 pinosylvin [3,5-stilbenediol;trans-3,5-dihydroxystilbene;] C14H12O2 212.08373 102-61-4 metacyc NA NA +MetaCyc01962 (+)-cis-3,4-dihydrophenanthrene-3,4-diol [cis-3,4-dihydroxy-3,4-dihydrophenanthrene;] C14H12O2 212.08373 NA metacyc NA NA +MJ008501 Thiolactomycin ? C11H16O2S 212.0871 NA MeJP NA NA +C08255 Perseitol C7H16O7 212.0896 NA KEGG NA NA +C08260 Volemitol C7H16O7 212.0896 NA KEGG NA NA +MJ008502 D-glycero-D-galacto-Heptitol C7H16O7 212.089602 NA MeJP NA NA +MJ008503 D-glycero-D-gluco-Heptitol C7H16O7 212.089602 NA MeJP NA NA +MJ008504 D-glycero-D-manno-Heptitol C7H16O7 212.089602 NA MeJP NA NA +MJ008505 (1-Aziridinylmethyl)-3-(2-nitro-1H-imidazol-1-yl)-2-propanol C8H12N4O3 212.09094 NA MeJP NA NA +PJ000043 GH C8H12N4O3 212.091 NA PeJP NA NA +MJ008506 1-(1-Hydroxyethyl)-?-carboline C13H12N2O 212.094963 NA MeJP NA NA +MJ008507 1-(2-Hydroxyethyl)-?-carboline C13H12N2O 212.094963 NA MeJP NA NA +MJ008508 1-Ethyl-?-carboline; 2-N-Oxide C13H12N2O 212.094963 NA MeJP NA NA +MJ008509 6-Hydroxy-1-methyl-?-carboline; Me ether C13H12N2O 212.094963 NA MeJP NA NA +MJ008510 7-Methoxy-1-methyl-?-carboline C13H12N2O 212.094963 NA MeJP NA NA +MJ008511 ?-Carboline; 3,4-Dihydro, 9-Ac C13H12N2O 212.094963 NA MeJP NA NA +MJ008512 Pimprinethine C13H12N2O 212.094963 NA MeJP NA NA +MJ008513 6-Methoxy-?-carboline; N2-Me C13H13N2O(+) 212.094963 NA MeJP NA NA +C01748 Pyocyanine C13H12N2O 212.095 NA KEGG NA NA +C06538 Harmine C13H12N2O 212.095 NA KEGG NA NA +MJ008514 Albutoin C10H16N2OS 212.098333 NA MeJP NA NA +3170 dipeptidyl peptidase IV inhibitor PP 212.104 celiac toxic Inhouse_peptide NA peptide +7836 ACE inhibitor PP 212.104 immunomodulating Inhouse_peptide NA peptide +MJ008515 1-(2,5-Dihydroxyphenyl)-1,2-propanediol, 1,5'-Di-Me ether C11H16O4 212.104859 NA MeJP NA NA +MJ008516 1-(2,5-Dihydroxyphenyl)-3-methyl-2,3-butanediol C11H16O4 212.104859 NA MeJP NA NA +MJ008517 3-(3,5-Dihydroxyphenyl)-1,2-propanediol; 3',5'-Di-Me ether C11H16O4 212.104859 NA MeJP NA NA +MJ008518 5,6-Dihydro-4-methoxy-6-(1-oxopentyl)-2H-pyran-2-one C11H16O4 212.104859 NA MeJP NA NA +MJ008519 5-Propyl-1,2,3,4-benzenetetrol; 2,3-Di-Me ether C11H16O4 212.104859 NA MeJP NA NA +MJ008520 Depudecin C11H16O4 212.104859 NA MeJP NA NA +MJ008521 Dihydro-4-hydroxy-5-(1-hydroxy-4-methyl-2-pentenyl)-3-methoxy-2(3H)-furanone; 4-Deoxy, 3,4-didehydro C11H16O4 212.104859 NA MeJP NA NA +MJ008522 Dihydrocanadensolide C11H16O4 212.104859 NA MeJP NA NA +MJ008523 Eutypoxide B C11H16O4 212.104859 NA MeJP NA NA +MJ008524 Guaietolin C11H16O4 212.104859 NA MeJP NA NA +MJ008525 Methylenolactocin C11H16O4 212.104859 NA MeJP NA NA +MJ008526 Neopanepoxydol C11H16O4 212.104859 NA MeJP NA NA +MJ008527 Sinapyl alcohol, 2,3-Dihydro C11H16O4 212.104859 NA MeJP NA NA +MJ008528 Siphonostegiol C11H16O4 212.104859 NA MeJP NA NA +C14617 Chrysoidine free base C12H12N4 212.1062 NA KEGG NA NA +MJ008529 Burimamide C9H16N4S 212.109567 NA MeJP NA NA +C07448 Burimamide C9H16N4S 212.1096 NA KEGG NA NA +HMDB11180 L-prolyl-L-proline C10H16N2O3 212.116089 NA HMDB2010 NA NA +MJ008530 Butabarbital C10H16N2O3 212.116092 NA MeJP NA NA +MJ008531 Butobarbital C10H16N2O3 212.116092 NA MeJP NA NA +MJ008532 Loline; N-Ac, N-oxide C10H16N2O3 212.116092 NA MeJP NA NA +C07827 Butabarbital C10H16N2O3 212.1161 NA KEGG NA NA +C07828 Transferred to D00699 C10H16N2O3 212.1161 NA KEGG NA NA +PJ000044 PP C10H16N2O3 212.1161 NA PeJP NA NA +C14258 p-Cumylphenol C15H16O 212.1201 NA KEGG NA NA +C14666 1-(4-Methoxyphenyl)-2-phenylethane C15H16O 212.1201 NA KEGG NA NA +MJ008533 1,3,5,7(11),9-Guaiapentaen-15-al C15H16O 212.120115 NA MeJP NA NA +MJ008534 1,3-Diphenyl-1-propanol C15H16O 212.120115 NA MeJP NA NA +MJ008535 1,8,10,14-Pentadecatetraene-4,6-diyn-3-ol C15H16O 212.120115 NA MeJP NA NA +MJ008536 1,8,10-Pentadecatriene-4,6-diyn-3-one C15H16O 212.120115 NA MeJP NA NA +MJ008537 1-[(3-Methyl-2-butenyl)oxy]naphthalene C15H16O 212.120115 NA MeJP NA NA +MJ008538 14-Cadalenal C15H16O 212.120115 NA MeJP NA NA +MJ008539 2,8,10-Pentadecatriene-4,6-diyn-1-al C15H16O 212.120115 NA MeJP NA NA +MJ008540 3,4-Dihydro-2,2-dimethyl-2H-naphtho[1,2-b]pyran C15H16O 212.120115 NA MeJP NA NA +MJ008541 3-(2-Phenylethyl)phenol; Me ether C15H16O 212.120115 NA MeJP NA NA +MJ008542 3-Methyl-8-phenyl-3,5,7-octatrien-2-one C15H16O 212.120115 NA MeJP NA NA +MJ008543 4-Methyl-7-(1-methylethenyl)-1-azulenecarboxaldehyde; 11,12-Dihydro C15H16O 212.120115 NA MeJP NA NA +MJ008544 4-Methyl-7-(1-methylethenyl)-1-azulenecarboxaldehyde; 15-Alcohol C15H16O 212.120115 NA MeJP NA NA +MJ008545 5,7,13-Pentadecatriene-9,11-diyn-4-one C15H16O 212.120115 NA MeJP NA NA +MJ008546 5,7,13-Pentadecatriene-9,11-diynal C15H16O 212.120115 NA MeJP NA NA +MJ008547 Benzofuranoeremophil-1-ene C15H16O 212.120115 NA MeJP NA NA +MJ008548 Chromolaenin C15H16O 212.120115 NA MeJP NA NA +MJ008549 Demethylcacalohastine; Deoxy C15H16O 212.120115 NA MeJP NA NA +MJ008550 Linderazulene; 2,3-Dihydro C15H16O 212.120115 NA MeJP NA NA +MJ008551 Pallescensin E C15H16O 212.120115 NA MeJP NA NA +MJ008552 Pyrocurzerenone C15H16O 212.120115 NA MeJP NA NA +MJ008553 Spiniferin 1 C15H16O 212.120115 NA MeJP NA NA +MJ008554 Spiniferin 2 C15H16O 212.120115 NA MeJP NA NA +MJ008555 Tavacpallescensin C15H16O 212.120115 NA MeJP NA NA +3260 beta-lactokinin HIR 212.1215 MH2+ Inhouse_peptide NA peptide +7999 synthetic peptide LHR 212.1215 MH2+ Inhouse_peptide NA peptide +8059 synthetic peptide RHI 212.1215 MH2+ Inhouse_peptide NA peptide +8061 synthetic peptide RHL 212.1215 MH2+ Inhouse_peptide NA peptide +2820 PEP inhibitor LPPV 212.128 MH2+ Inhouse_peptide NA peptide +C14443 3,3'-Dimethylbenzidine C14H16N2 212.1313 NA KEGG NA NA +MJ008556 Atipamezole C14H16N2 212.131348 NA MeJP NA NA +MJ008557 Harmicine C14H16N2 212.131348 NA MeJP NA NA +MJ008558 Napactadine C14H16N2 212.131348 NA MeJP NA NA +MJ008559 Napamezole C14H16N2 212.131348 NA MeJP NA NA +C08482 Cucurbic acid C12H20O3 212.1412 NA KEGG NA NA +C08509 Putaminoxin C12H20O3 212.1412 NA KEGG NA NA +C16309 Traumatin C12H20O3 212.1412 NA KEGG NA NA +C16311 12-Oxo-9(Z)-dodecenoic acid C12H20O3 212.1412 NA KEGG NA NA +MJ008560 1,2-Epoxy-p-menthan-3-ol, Ac C12H20O3 212.141244 NA MeJP NA NA +MJ008561 1-Hydroxy-p-menthan-3-one, Ac C12H20O3 212.141244 NA MeJP NA NA +MJ008562 10-Hydroxy-11,12,13-trinor-2,6-farnesadien-1-oic acid C12H20O3 212.141244 NA MeJP NA NA +MJ008563 12-Oxo-10-dodecenoic acid C12H20O3 212.141244 NA MeJP NA NA +MJ008564 2,3-Bornanediol, 2-Ac C12H20O3 212.141244 NA MeJP NA NA +MJ008565 3,4-Dihydroxy-11,12,13-trinor-8-eudesmanone C12H20O3 212.141244 NA MeJP NA NA +MJ008566 3,7-Dimethyl-2,5-octadiene-1,7-diol, 1-Ac C12H20O3 212.141244 NA MeJP NA NA +MJ008567 3,7-Dimethyl-2,6-octadien-1-ol, 6,7-Epoxide, Ac C12H20O3 212.141244 NA MeJP NA NA +MJ008568 3-Oxo-2-pentylcyclopentaneacetic acid C12H20O3 212.141244 NA MeJP NA NA +MJ008569 4-(5-Hydroxyheptyl)-3-methyl-2(5H)-furanone C12H20O3 212.141244 NA MeJP NA NA +MJ008570 4-(6-Hydroxyheptyl)-3-methyl-2(5H)-furanone C12H20O3 212.141244 NA MeJP NA NA +MJ008571 5,6-Dihydro-6-(6-hydroxyheptyl)-2H-pyran-2-one C12H20O3 212.141244 NA MeJP NA NA +MJ008572 5,7-Dihydroxy-p-menth-1(6)-en-2-one, 7-Et ether C12H20O3 212.141244 NA MeJP NA NA +MJ008573 5-Hexyltetrahydrofuro[3,2-b]furan-2(3H)-one C12H20O3 212.141244 NA MeJP NA NA +MJ008574 5-Isopropyl-3-nonene-2,8-diol, 3,4-Epoxide, 2,8-diketone C12H20O3 212.141244 NA MeJP NA NA +MJ008575 5-Methoxy-3,4-dimethyl-5-pentyl-2(5H)-furanone C12H20O3 212.141244 NA MeJP NA NA +MJ008576 5-Methyl-2-(1-methylethenyl)-3-hexene-1,5-diol, 1-Ac C12H20O3 212.141244 NA MeJP NA NA +MJ008577 Chokolic acid A; 14-Deoxy C12H20O3 212.141244 NA MeJP NA NA +MJ008578 Cucurbic acid C12H20O3 212.141244 NA MeJP NA NA +MJ008579 Gardenone C12H20O3 212.141244 NA MeJP NA NA +MJ008580 Patulolide C C12H20O3 212.141244 NA MeJP NA NA +MJ008581 Putaminoxin C12H20O3 212.141244 NA MeJP NA NA +MJ008582 Tetrahydro-3-hydroxy-2,2,6-trimethyl-6-vinylpyran; Ac C12H20O3 212.141244 NA MeJP NA NA +MJ008583 Tetrahydro-4-hydroxy-5-(1-methyl-2-propenyl)-3,3,5-trimethyl-2H-pyran-2-one C12H20O3 212.141244 NA MeJP NA NA +MJ008584 p-Menth-1(7)-ene-2,8-diol, 8-Ac C12H20O3 212.141244 NA MeJP NA NA +MJ008585 p-Menth-2-ene-1,8-diol; 8-Ac C12H20O3 212.141244 NA MeJP NA NA +MJ008586 ?,5-Dimethyl-2-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane-7-methanol; Ketone C12H20O3 212.141244 NA MeJP NA NA +MetaCyc01963 12-oxo-c-9-dodecenoate [] C12H20O3 212.141245 NA metacyc NA NA +MetaCyc01964 12-oxo-trans-10-dodecenoate [traumatin;] C12H20O3 212.141245 NA metacyc NA NA +MetaCyc01965 12-oxo-cis-9-dodecenoate [] C12H20O3 212.141245 NA metacyc NA NA +MJ008587 3-Isopropyl-6-(1-methylpropyl)-2,5-piperazinedione C11H20N2O2 212.152477 NA MeJP NA NA +MJ008588 Cyclo(leucylvalyl) C11H20N2O2 212.152477 NA MeJP NA NA +C16836 1,4'-Bipiperidine-1'-carboxylic acid C11H20N2O2 212.1525 NA KEGG NA NA +C18206 cis-11-Methyl-2-dodecenoic acid C13H24O2 212.1776 NA KEGG NA NA +MJ008589 12-Tridecanolide C13H24O2 212.17763 NA MeJP NA NA +MJ008590 2,7-Diethyl-1,6-dioxaspiro[4.6]undecane C13H24O2 212.17763 NA MeJP NA NA +MJ008591 2,7-Dipropyl-1,6-dioxaspiro[4.4]nonane C13H24O2 212.17763 NA MeJP NA NA +MJ008592 2-Butyl-7-methyl-1,6-dioxaspiro[4.5]decane C13H24O2 212.17763 NA MeJP NA NA +MJ008593 2-Dodecenoic acid, Me ester C13H24O2 212.17763 NA MeJP NA NA +MJ008594 2-Ethyl-7-propyl-1,6-dioxaspiro[4.5]decane C13H24O2 212.17763 NA MeJP NA NA +MJ008595 2-Methyl-8-propyl-1,7-dioxaspiro[5.5]undecane C13H24O2 212.17763 NA MeJP NA NA +MJ008596 3,7-Dimethyl-6-octen-1-ol, Propanoyl C13H24O2 212.17763 NA MeJP NA NA +MJ008597 3-Methyl-4-decen-1-ol, Ac C13H24O2 212.17763 NA MeJP NA NA +MJ008598 4,7-Megastigmadiene-3,9-diol, 7,8-Dihydro C13H24O2 212.17763 NA MeJP NA NA +MJ008599 5-Megastigmene-3,9-diol C13H24O2 212.17763 NA MeJP NA NA +MJ008600 7-Butyl-2-methyl-1,6-dioxaspiro[4.5]decane C13H24O2 212.17763 NA MeJP NA NA +MJ008601 7-Undecen-1-ol, Ac C13H24O2 212.17763 NA MeJP NA NA +MJ008602 8-Hydroxy-5-isopropyl-8-methyl-6-nonen-2-one C13H24O2 212.17763 NA MeJP NA NA +MJ008603 9-Dodecen-1-ol, Formyl C13H24O2 212.17763 NA MeJP NA NA +MJ008604 Oxacyclotetradecan-2-one C13H24O2 212.17763 NA MeJP NA NA +MJ008605 10-Methyl-2-tridecanone C14H28O 212.214015 NA MeJP NA NA +MJ008606 10-Tetradecen-1-ol C14H28O 212.214015 NA MeJP NA NA +MJ008607 11-Tetradecen-1-ol C14H28O 212.214015 NA MeJP NA NA +MJ008608 12-Tetradecen-1-ol C14H28O 212.214015 NA MeJP NA NA +MJ008609 2-Tetradecanone C14H28O 212.214015 NA MeJP NA NA +MJ008610 3-Tetradecanone C14H28O 212.214015 NA MeJP NA NA +MJ008611 7-Tetradecen-1-ol C14H28O 212.214015 NA MeJP NA NA +MJ008612 9-Tetradecen-1-ol C14H28O 212.214015 NA MeJP NA NA +MJ008613 Tetradecanal C14H28O 212.214015 NA MeJP NA NA +C08388 Pentadecane C15H32 212.2504 NA KEGG NA NA +MJ008614 Pentadecane C15H32 212.250401 NA MeJP NA NA +MJ008615 2,5-Dimethyltridecane C15H32 212.250401 NA MeJP NA NA +MJ008616 2,6,11-Trimethyldodecane C15H32 212.250401 NA MeJP NA NA +MJ008617 2,8-Dimethyltridecane C15H32 212.250401 NA MeJP NA NA +MJ008618 2-Methyltetradecane C15H32 212.250401 NA MeJP NA NA +MJ008619 3-Methyltetradecane C15H32 212.250401 NA MeJP NA NA +MJ008620 4,8-Dimethyltridecane C15H32 212.250401 NA MeJP NA NA +MJ008621 4-Methyltetradecane C15H32 212.250401 NA MeJP NA NA +MJ008622 5-Methyltetradecane C15H32 212.250401 NA MeJP NA NA +MJ008623 6-Methyltetradecane C15H32 212.250401 NA MeJP NA NA +MJ008624 7-Methyltetradecane C15H32 212.250401 NA MeJP NA NA +MJ008625 Farnesane C15H32 212.250401 NA MeJP NA NA +2870 opioid peptide YPF 212.5915 MH2+ Inhouse_peptide NA peptide +8063 synthetic peptide RHN 212.60095 MH2+ Inhouse_peptide NA peptide +7560 ACE inhibitor from soy hydrolysate FFL 212.61 MH2+ Inhouse_peptide NA peptide +3043 inhibitor of fibrinogen and thrombin coagulation GPRP 212.613 MH2+ Inhouse_peptide NA peptide +MJ008626 5,7-Dichloro-8-hydroxyquinoline C9H5Cl2NO 212.974819 NA MeJP NA NA +MJ008627 4-Bromoaniline; N-Ac C8H8BrNO 212.978926 NA MeJP NA NA +MetaCyc01966 3-hydroxy-4-phospho-hydroxy-α-ketobutyrate [2-Oxo-3-hydroxy-4-phosphobutanoate;] C4H6O8P1 212.980029 NA metacyc NA NA +C05708 Selenomethionine Se-oxide C5H11NO3Se 212.9904 NA KEGG NA NA +C05710 N-Hydroxy-amino acid C2H4NO3R 212.9904 NA KEGG NA NA +MJ008628 Selenomethionine se-oxide C5H11NO3Se 212.990415 NA MeJP NA NA +MetaCyc01967 246-trinitrobenzene [] C6H3N3O6 213.002185 NA metacyc NA NA +C03082 4-Phospho-L-aspartate C4H8NO7P 213.0038 NA KEGG NA NA +C03083 4-Substituted anilide C7H5NOR2 213.0038 NA KEGG NA NA +C03084 4-Substituted aniline C6H6NR 213.0038 NA KEGG NA NA +C03085 5'-Acylphosphoinosine C11H12N4O9PR 213.0038 NA KEGG NA NA +C03086 5'-Acylphosphouridine C11H12N4O10PR 213.0038 NA KEGG NA NA +C07335 2-Amino-3-oxo-4-phosphonooxybutyrate C4H8NO7P 213.0038 NA KEGG NA NA +MJ008629 4-Phospho-L-aspartate C4H8NO7P 213.003838 NA MeJP NA NA +MetaCyc01968 2-amino-3-oxo-4-phosphonooxybutyrate [L-2-amino-3-oxo-4-phosphonooxybutyrate;] C4H8N1O7P1 213.003838 NA metacyc NA NA +MetaCyc01969 L-aspartyl-4-phosphate [4-phospho-L-aspartate;L-4-aspartyl phosphate;L-β-aspartyl-P;L-β-aspartyl-phosphate;L-aspartyl-4-P;L-aspartyl-β-phosphate;] C4H8N1O7P1 213.003838 22138-53-0 metacyc NA NA +HMDB12250 L-Aspartyl-4-phosphate C4H8NO7P 213.003845 NA HMDB2010 NA NA +MJ008630 Carmustine C5H9Cl2N3O2 213.007181 NA MeJP NA NA +HMDB00682 Indoxyl sulfate C8H7NO4S 213.00958 http://www.hmdb.ca/metabolites/HMDB00682 PFEM_hmdb_metabocards_urine NA urine +HMDB00682 Indoxyl sulfate C8H7NO4S 213.00958 http://www.hmdb.ca/metabolites/HMDB00682 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00682 Indoxyl sulfate C8H7NO4S 213.00958 http://www.hmdb.ca/metabolites/HMDB00682 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00682 Indoxyl sulfate C8H7NO4S 213.00958 http://www.hmdb.ca/metabolites/HMDB00682 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00682 Indoxyl sulfate C8H7NO4S 213.00958 http://www.hmdb.ca/metabolites/HMDB00682 HMDB NA NA +HMDB00682 Indoxyl sulfate C8H7NO4S 213.00958 http://www.hmdb.ca/metabolites/HMDB00682 PFEM_hmdb_metabocards_blood NA blood +HMDB00682 Indoxyl sulfate C8H7NO4S 213.00958 HMDB00682 PFEM_hmdb_metabocards_official NA NA +HMDB00682 Indoxyl sulfate C8H7NO4S 213.009583 NA HMDB2010 NA NA +HMDB01309 m-Chlorohippuric acid C9H8ClNO3 213.01927 http://www.hmdb.ca/metabolites/HMDB01309 HMDB NA NA +HMDB01309 m-Chlorohippuric acid C9H8ClNO3 213.01927 HMDB01309 PFEM_hmdb_metabocards_official NA NA +MetaCyc01970 m-chlorohippurate [m-chlorohippuric acid;] C9H8N1O3CL1 213.019271 NA metacyc NA NA +HMDB01309 m-Chlorohippuric acid C9H8ClNO3 213.019272 NA HMDB2010 NA NA +MJ008631 Se-Methylselenomethionine C6H15NO2Se 213.0268 NA MeJP NA NA +MJ008632 4,5-Dihydroxy-2-nitrobenzoic acid; 5-Me ether C8H7NO6 213.027336 NA MeJP NA NA +C16392 4-Hydroxylamino-2,6-dinitrotoluene C7H7N3O5 213.0386 NA KEGG NA NA +C16393 2-Hydroxylamino-4,6-dinitrotoluene C7H7N3O5 213.0386 NA KEGG NA NA +CJpos0560 Citrulline isomers [(M+K)]+ C6H13KN3O3 213.051075 C18rt(min)=0.9 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0560 Citrulline isomers [(M+K)]+ C6H13KN3O3 213.051075 C18rt(min)=0.9 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +JH087 Citrulline (L-) [M+K]+ NA 213.0516 1.22 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH087 Citrulline (L-) [M+K]+ NA 213.0516 1.22 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH087 Citrulline (L-) [M+K]+ NA 213.0516 1.22 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH087 Citrulline (L-) [M+K]+ NA 213.0516 1.22 Inhousejuil11 NA NA +C01800 Deazaflavin C11H7N3O2 213.0538 NA KEGG NA NA +MJ008633 Imidazo[1,2-a]quinoxaline-2-carboxylic acid C11H7N3O2 213.053826 NA MeJP NA NA +MJ008634 Zyzzin; 5-Oxo analogue C11H7N3O2 213.053826 NA MeJP NA NA +MJ008635 ?-Baclofen C10H12ClNO2 213.055656 NA MeJP NA NA +MJ008636 Baclofen C10H12ClNO2 213.055656 NA MeJP NA NA +C14506 Chlorpropham C10H12ClNO2 213.0557 NA KEGG NA NA +C15503 N,N-Dihydroxy-L-tyrosine C9H11NO5 213.0637 NA KEGG NA NA +MJ008637 2-Amino-3-(2,4,5-trihydroxyphenyl)propanoic acid C9H11NO5 213.063722 NA MeJP NA NA +MJ008638 2-Amino-3-(3,4,5-trihydroxyphenyl)propanoic acid C9H11NO5 213.063722 NA MeJP NA NA +MJ008639 Droxidopa C9H11NO5 213.063722 NA MeJP NA NA +MJ008640 Speranskatine A, N-De-Me C9H11NO5 213.063722 NA MeJP NA NA +MetaCyc01971 N,N-dihydroxy-L-tyrosine [] C9H11N1O5 213.063722 NA metacyc NA NA +MJ008641 Tolfamide C8H12N3O2P 213.066713 NA MeJP NA NA +MJ008642 2-Amino-6-diazo-5-oxohexanoic acid, N-Ac C8H11N3O4 213.074955 NA MeJP NA NA +MJ008643 Troxacitabine C8H11N3O4 213.074955 NA MeJP NA NA +MJ008644 2-Hydroxybenzamide; N-Ph C13H11NO2 213.078978 NA MeJP NA NA +MJ008645 4-Methoxyfuro[2,3-b]quinoline; O-De-Me, O-Et C13H11NO2 213.078978 NA MeJP NA NA +MJ008646 Balazipone C13H11NO2 213.078978 NA MeJP NA NA +C12865 Benzyl nicotinate C13H11NO2 213.079 NA KEGG NA NA +C12866 Transferred to D01420 C13H11NO2 213.079 NA KEGG NA NA +C12867 Transferred to D01421 C13H11NO2 213.079 NA KEGG NA NA +C12868 Transferred to D01422 C13H11NO2 213.079 NA KEGG NA NA +C13697 Fenamic acid C13H11NO2 213.079 NA KEGG NA NA +C03169 Pyrimidine nucleoside C9H13N2O4 213.0875 NA KEGG NA NA +MJ008647 6-Methyl-2-(phenylazo)-3-pyridinol C12H11N3O 213.090211 NA MeJP NA NA +C07433 Phenmetrazine hydrochloride C11H15NO 213.092 NA KEGG NA NA +MJ008648 Clorprenaline C11H16ClNO 213.092041 NA MeJP NA NA +8055 synthetic peptide RHD 213.09295 MH2+ Inhouse_peptide NA peptide +2938 myelopeptide VDPP 213.09945 MH2+ Inhouse_peptide NA peptide +C11839 N-(3-Oxohexanoyl)homoserine lactone C10H15NO4 213.1001 NA KEGG NA NA +C12819 Kainic acid C10H15NO4 213.1001 NA KEGG NA NA +C12820 Transferred to D01382 C10H15NO4 213.1001 NA KEGG NA NA +C12821 Transferred to D01383 C10H15NO4 213.1001 NA KEGG NA NA +C12822 Transferred to D01384 C10H15NO4 213.1001 NA KEGG NA NA +C12823 Transferred to D01385 C10H15NO4 213.1001 NA KEGG NA NA +C12824 Transferred to D01386 C10H15NO4 213.1001 NA KEGG NA NA +C12825 Transferred to D01387 C10H15NO4 213.1001 NA KEGG NA NA +C12826 Transferred to D01388 C10H15NO4 213.1001 NA KEGG NA NA +C12827 Transferred to D01389 C10H15NO4 213.1001 NA KEGG NA NA +C12828 Transferred to D01390 C10H15NO4 213.1001 NA KEGG NA NA +MJ008649 3,3'-[Iminobis(methylene)]bis-2(3H)furanone C10H15NO4 213.100107 NA MeJP NA NA +MJ008650 3-Aminodihydro-2(3H)-furanone, N-(3-Oxohexanoyl) C10H15NO4 213.100107 NA MeJP NA NA +MJ008651 4-Ethoxyhexahydro-3a-hydroxy-1H-indole-2,6-dione C10H15NO4 213.100107 NA MeJP NA NA +MJ008652 Fulvanine A; 6'-Deoxy, 5-Me ether C10H15NO4 213.100107 NA MeJP NA NA +MJ008653 Kainic acid C10H15NO4 213.100107 NA MeJP NA NA +C07429 Phenazopyridine C11H11N5 213.1014 NA KEGG NA NA +MJ008654 2,6-Diamino-3-phenylazopyridine C11H11N5 213.101445 NA MeJP NA NA +C14457 Simetryn C8H15N5S 213.1048 NA KEGG NA NA +MJ008655 2-Decene-4,6,8-triynoic acid, 2-Methylpropylamide C14H15NO 213.115364 NA MeJP NA NA +MJ008656 Oxdralazine C8H15N5O2 213.122574 NA MeJP NA NA +MJ008657 2-(1-Piperazinyl)quinoline C13H15N3 213.126597 NA MeJP NA NA +MJ008658 Hexahydro-7a-hydroxy-3H-pyrrolizin-3-one, (1-Ethoxyethyl) ether C11H19NO3 213.136493 NA MeJP NA NA +MJ008659 Trichoponamic acid C11H19NO3 213.136493 NA MeJP NA NA +C11844 N-Heptanoylhomoserine lactone C11H19NO3 213.1365 NA KEGG NA NA +C07035 Guanadrel C10H19N3O2 213.1477 NA KEGG NA NA +MJ008660 Complanatin C10H19N3O2 213.147726 NA MeJP NA NA +MJ008661 Guanadrel C10H19N3O2 213.147726 NA MeJP NA NA +MJ008662 Herbindole A C15H19N 213.151749 NA MeJP NA NA +MJ008663 1-Amino-3-tridecen-2-ol C13H27NO 213.209264 NA MeJP NA NA +MJ008664 1-Amino-4-tridecen-2-ol C13H27NO 213.209264 NA MeJP NA NA +MJ008665 1-Amino-5-tridecen-2-ol C13H27NO 213.209264 NA MeJP NA NA +MJ008666 12-Methyl-1-tridecylamine C14H31N 213.245649 NA MeJP NA NA +HMDB03171 Tetradecylamine C14H31N 213.24565 http://www.hmdb.ca/metabolites/HMDB03171 HMDB NA NA +HMDB03171 Tetradecylamine C14H31N 213.24565 HMDB03171 PFEM_hmdb_metabocards_official NA NA +3762 NA VGVPG 213.615 MH2+ Inhouse_peptide NA peptide +3595 NA KAIP 213.6335 MH2+ Inhouse_peptide NA peptide +HMDB00848 Stearoylcarnitine C25H49NO4 213.683075 MH2+ Inhouse_peptide NA peptide +MJ008667 1,1-Dibromo-2-propanone C3H4Br2O 213.86289 NA MeJP NA NA +MJ008668 1,3-Dibromo-2-propanone C3H4Br2O 213.86289 NA MeJP NA NA +MetaCyc01972 1,3-dibromopropan-2-one [] C3H4O1BR2 213.86289 NA metacyc NA NA +MJ008669 1,2,3,4-Tetrachlorobenzene C6H2Cl4 213.89106 NA MeJP NA NA +MJ008670 Thioperoxydicarbonic acid; Di-Me ester C4H6O2S4 213.925062 NA MeJP NA NA +C12832 3,4,6-Trichloro-cis-1,2-dihydroxycyclohexa-3,5-diene C6H5Cl3O2 213.9355 NA KEGG NA NA +C03076 4-Bromophenylacetate C8H7BrO2 213.9629 NA KEGG NA NA +MJ008671 1,2-Dithiolo[4,3-b]pyrrol-5(4H)-one; N6-Ac C7H6N2O2S2 213.987068 NA MeJP NA NA +MJ008672 Orosomycin C7H6N2O2S2 213.987068 NA MeJP NA NA +C14181 2-Benzothiazolesulfonamide C7H6N2O2S2 213.9871 NA KEGG NA NA +HMDB06801 2-Oxo-3-hydroxy-4-phosphobutanoate C4H7O8P 213.98785 http://www.hmdb.ca/metabolites/HMDB06801 HMDB NA NA +HMDB06801 2-Oxo-3-hydroxy-4-phosphobutanoate C4H7O8P 213.98785 HMDB06801 PFEM_hmdb_metabocards_official NA NA +MJ008673 2-Oxo-3-hydroxy-4-phosphobutanoate C4H7O8P 213.987853 NA MeJP NA NA +HMDB06801 2-Oxo-3-hydroxy-4-phosphobutanoic acid C4H7O8P 213.987854 NA HMDB2010 NA NA +MetaCyc01973 (S)-phosphomalate [] C4H7O8P1 213.987854 NA metacyc NA NA +MetaCyc01974 (R)-phosphomalate [] C4H7O8P1 213.987854 NA metacyc NA NA +C06054 2-Oxo-3-hydroxy-4-phosphobutanoate C4H7O8P 213.9879 NA KEGG NA NA +CJpos0561 Citric acid [M+Na]+ C6H8O7Na 214.008375 C18rt(min)=1.09 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0561 Citric acid [M+Na]+ C6H8O7Na 214.008375 C18rt(min)=1.09 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +JH122 Citric acid [M+Na]+ NA 214.0097 2.57 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH122 Citric acid [M+Na]+ NA 214.0097 2.57 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH122 Citric acid [M+Na]+ NA 214.0097 2.57 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH122 Citric acid [M+Na]+ NA 214.0097 2.57 Inhousejuil11 NA NA +MetaCyc01975 phospho-hydroxy-threonine [O-Phospho-4-hydroxy-L-threonine;4-phospho-hydroxy-L-threonine;4-phospho-hydroxy-threonine;] C4H9N1O7P1 214.011663 NA metacyc NA NA +MJ008674 Niridazole C6H6N4O3S 214.01606 NA MeJP NA NA +MetaCyc01976 selenalysine [] C5H14N2O2SE1 214.02205 NA metacyc NA NA +MJ008675 3,5-Dinitro-1,2-benzenediol; 1-Me ether C7H6N2O6 214.022585 NA MeJP NA NA +C17101 3,5-Dinitroguaiacol C7H6N2O6 214.0226 NA KEGG NA NA +MJ008676 Antibiotic WS 1921 C8H10N2OS2 214.023454 NA MeJP NA NA +C00672 2-Deoxy-D-ribose 1-phosphate C5H11O7P 214.0242 NA KEGG NA NA +C00673 2-Deoxy-D-ribose 5-phosphate C5H11O7P 214.0242 NA KEGG NA NA +C11437 1-Deoxy-D-xylulose 5-phosphate C5H11O7P 214.0242 NA KEGG NA NA +C16637 5-Deoxyribose-1-phosphate C5H11O7P 214.0242 NA KEGG NA NA +C16638 O-Phosphoseryl-tRNA(Sec) C13H23NO15P2R2 214.0242 NA KEGG NA NA +MJ008677 2-Deoxy-D-ribose 1-phosphate C5H11O7P 214.024239 NA MeJP NA NA +MJ008678 2-Deoxy-D-ribose 5-phosphate C5H11O7P 214.024239 NA MeJP NA NA +MJ008679 2-Deoxy-erythro-pentose, 5-Phosphate C5H11O7P 214.024239 NA MeJP NA NA +MJ008680 3,4,5-Trihydroxy-2-pentanone, 5-Phosphate C5H11O7P 214.024239 NA MeJP NA NA +MetaCyc01977 deoxy-D-ribose 1-phosphate [2-deoxy-α-D-ribose 1-phosphate;] C5H11O7P1 214.024239 NA metacyc NA NA +MetaCyc01978 deoxyribose-1-phosphate [2-deoxy-D-ribose-1-phosphate;2-deoxy-α-D-ribose 1-phosphate;] C5H11O7P1 214.024239 17210-42-3 metacyc NA NA +MetaCyc01979 1-deoxy-D-xylulose 5-phosphate [DXP;deoxyxylulose-5-phosphate;D-1-deoxyxylulose-5-P;1-deoxy-D-threo-pentulose 5-phosphate;DOXP;] C5H11O7P1 214.024239 NA metacyc NA NA +MetaCyc01980 deoxyribose-5-phosphate [2-deoxy-D-ribose-5-phosphate;deoxyribose-5-P;2-deoxyribose-5-P;2-deoxyribose-5-phosphate;2-deoxy-α-D-ribose 5-phosphate;] C5H11O7P1 214.024239 102916-66-5 metacyc NA NA +HMDB01031 Deoxyribose 5-phosphate C5H11O7P 214.024246 NA HMDB2010 NA NA +HMDB01213 1-Deoxy-D-xylulose 5-phosphate C5H11O7P 214.024246 NA HMDB2010 NA NA +HMDB01351 Deoxyribose 1-phosphate C5H11O7P 214.024246 NA HMDB2010 NA NA +HMDB01031 Deoxyribose 5-phosphate C5H11O7P 214.02425 http://www.hmdb.ca/metabolites/HMDB01031 HMDB NA NA +HMDB01213 1-Deoxy-D-xylulose 5-phosphate C5H11O7P 214.02425 http://www.hmdb.ca/metabolites/HMDB01213 HMDB NA NA +HMDB01351 Deoxyribose 1-phosphate C5H11O7P 214.02425 http://www.hmdb.ca/metabolites/HMDB01351 HMDB NA NA +HMDB01031 Deoxyribose 5-phosphate C5H11O7P 214.02425 HMDB01031 PFEM_hmdb_metabocards_official NA NA +HMDB01213 1-Deoxy-D-xylulose 5-phosphate C5H11O7P 214.02425 HMDB01213 PFEM_hmdb_metabocards_official NA NA +HMDB01351 Deoxyribose 1-phosphate C5H11O7P 214.02425 HMDB01351 PFEM_hmdb_metabocards_official NA NA +CJneg0387 Deoxyribose phosphate (and isomers) [(M-H)]- C5H10O7P 214.024825 C18rt(min)=0.9 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0387 Deoxyribose phosphate (and isomers) [(M-H)]- C5H10O7P 214.024825 C18rt(min)=0.9 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C03861 Dibenzo[1,4]dioxin-2,3-dione C12H6O4 214.0266 NA KEGG NA NA +C03862 Dolichyl phosphate D-mannose C26H47O9P 214.0266 NA KEGG NA NA +MJ008681 5-Hydroxynaphtho[2,3-b]furan-4,9-dione C12H6O4 214.026608 NA MeJP NA NA +MJ008682 Naphtho[1,2-b]furan-4,5-dione; 3-Hydroxy C12H6O4 214.026608 NA MeJP NA NA +MetaCyc01981 dibenzo[1,4]dioxin-2,3-dione [] C12H6O4 214.026609 NA metacyc NA NA +MJ008683 2-Bromo-7-methyl-3-methylene-1,6-octadiene C10H15Br 214.035713 NA MeJP NA NA +MJ008684 3-(Bromomethylene)-7-methyl-1,6-octadiene C10H15Br 214.035713 NA MeJP NA NA +MJ008685 ?-Carboline-1,3,4-trione C11H6N2O3 214.037842 NA MeJP NA NA +MJ008686 1-(3-Chloro-4-methoxyphenyl)-3-hydroxy-1-propanone C10H11ClO3 214.039671 NA MeJP NA NA +MJ008687 Clofibric acid C10H11ClO3 214.039671 NA MeJP NA NA +C13700 Clofibric acid C10H11ClO3 214.0397 NA KEGG NA NA +MJ008688 4-Aminobenzenesulfonic acid; Amide, Namide-Ac C8H10N2O3S 214.041212 NA MeJP NA NA +MJ008689 7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid C8H10N2O3S 214.041212 NA MeJP NA NA +MJ008690 2-(3,5-Hexadien-1-ynyl)-5-(1-propynyl)thiophene, 5',6'-Epoxide C13H10OS 214.045235 NA MeJP NA NA +MJ008691 4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol C13H10OS 214.045235 NA MeJP NA NA +MJ008692 5-[5-(3-Buten-1-ynyl)-2-thienyl]-2-penten-4-yn-1-ol C13H10OS 214.045235 NA MeJP NA NA +MJ008693 6-[5-(1-Propynyl)-2-thienyl]-3,5-hexadiyn-1-ol C13H10OS 214.045235 NA MeJP NA NA +C04479 2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate C9H10O6 214.0477 NA KEGG NA NA +MJ008694 Biglandulinic acid C9H10O6 214.047738 NA MeJP NA NA +MJ008695 Carolinic acid C9H10O6 214.047738 NA MeJP NA NA +MJ008696 2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate C9H10O6 214.047738 NA MeJP NA NA +MetaCyc01982 2-hydroxy-6-oxonona-2,4-diene-1,9-dioate [2-hydroxy-6-oxo-nona-2,4-diene 1,9-dicarboxylate;2-hydroxy-6-ketononadienedioic acid;2-hydroxy-6-ketononadienedicarboxylate;] C9H10O6 214.047738 53-42-9 metacyc NA NA +MJ008697 Alloxazine C10H6N4O2 214.049075 NA MeJP NA NA +MJ008698 Antibiotic TAN 1307 C9H11ClN2O2 214.050905 NA MeJP NA NA +MJ008699 Sulfaguanidine C7H10N4O2S 214.052446 NA MeJP NA NA +MJ008700 Amifostine C5H15N2O3PS 214.054099 NA MeJP NA NA +C06819 Amifostine C5H15N2O3PS 214.0541 NA KEGG NA NA +MJ008701 3-(2-Thiazolyl)-1H-indole; N1-Me C12H10N2S 214.056469 NA MeJP NA NA +MJ008702 Gostatin C8H10N2O5 214.058971 NA MeJP NA NA +C13673 (S)-ACPA C8H10N2O5 214.059 NA KEGG NA NA +MJ008703 11-Tridecene-3,5,7,9-tetrayne-1,2,13-triol C13H10O3 214.062994 NA MeJP NA NA +MJ008704 2,4-Dihydroxybenzophenone C13H10O3 214.062994 NA MeJP NA NA +MJ008705 2-(2,4,6-Octatriynylidene)-3,7-dioxabicyclo[4.1.0]heptan-5-ol C13H10O3 214.062994 NA MeJP NA NA +MJ008706 4'-Hydroxy-2-biphenylcarboxylic acid C13H10O3 214.062994 NA MeJP NA NA +MJ008707 4-Formyl-1-azulenecarboxylic acid; Me ester C13H10O3 214.062994 NA MeJP NA NA +MJ008708 4-Hydroxymethyl-1-azulenecarboxylic acid; 14-Aldehyde, Me ester C13H10O3 214.062994 NA MeJP NA NA +MJ008709 5-Ethylfuro[2,3-b][1]benzopyran-4-one C13H10O3 214.062994 NA MeJP NA NA +MJ008710 5-Hydroxy-3-methylnaphtho[2,3-c]furan-4(9H)-one C13H10O3 214.062994 NA MeJP NA NA +MJ008711 6-[2-(4-Hydroxyphenyl)ethenyl]-2H-pyran-2-one C13H10O3 214.062994 NA MeJP NA NA +MJ008712 Anhydrobarakol C13H10O3 214.062994 NA MeJP NA NA +MJ008713 Giparmen C13H10O3 214.062994 NA MeJP NA NA +MJ008714 Mycosinol C13H10O3 214.062994 NA MeJP NA NA +MJ008715 Phenyl 2-hydroxybenzoate C13H10O3 214.062994 NA MeJP NA NA +MJ008716 3,4-Dihydroxy-3,4-dihydro-9-fluorenone C13H10O3 214.062994 NA MeJP NA NA +MetaCyc01983 3,4-dihydroxy-3,4-dihydro-9-fluorenone [] C13H10O3 214.062994 NA metacyc NA NA +MetaCyc01984 1,10-dihydro-1,10-dihydroxyfluoren-9-one [DDF;] C13H10O3 214.062994 NA metacyc NA NA +C07722 3,4-Dihydroxy-3,4-dihydro-9-fluorenone C13H10O3 214.063 NA KEGG NA NA +C08455 Mycosinol C13H10O3 214.063 NA KEGG NA NA +C14163 Phenyl salicylate C13H10O3 214.063 NA KEGG NA NA +C14215 2,4-Dihydroxybenzophenone C13H10O3 214.063 NA KEGG NA NA +C14220 4,4'-Dihydroxybenzophenone C13H10O3 214.063 NA KEGG NA NA +C14284 2,2'-Dihydroxybenzophenone C13H10O3 214.063 NA KEGG NA NA +C14507 Diphenyl carbonate C13H10O3 214.063 NA KEGG NA NA +C16262 1-Hydro-1,1a-dihydroxy-9-fluorenone C13H10O3 214.063 NA KEGG NA NA +MJ008717 Tolmesoxide C10H14O3S 214.066365 NA MeJP NA NA +MJ008718 Etanidazole C7H10N4O4 214.070204 NA MeJP NA NA +MJ008719 Metronidazole; Carbamoyl C7H10N4O4 214.070204 NA MeJP NA NA +MJ008720 3-(1H-Indol-3-yl)-2-propenoic acid, Amide, Nb-formyl C12H10N2O2 214.074227 NA MeJP NA NA +MJ008721 Aaptamine; O9-De-Me C12H10N2O2 214.074227 NA MeJP NA NA +MJ008722 Caerulomycin E C12H10N2O2 214.074227 NA MeJP NA NA +MJ008723 2-(3-Chlorophenyl)-3-methyl-2,3-butanediol C11H15ClO2 214.076057 NA MeJP NA NA +MJ008724 2-(4-Chlorophenyl)-3-methyl-2,3-butanediol C11H15ClO2 214.076057 NA MeJP NA NA +HMDB04822 Methyl bisnorbiotinyl ketone C9H14N2O2S 214.077606 NA HMDB2010 NA NA +HMDB04822 Methyl bisnorbiotinyl ketone C9H14N2O2S 214.07761 http://www.hmdb.ca/metabolites/HMDB04822 PFEM_hmdb_metabocards_urine NA urine +HMDB04822 Methyl bisnorbiotinyl ketone C9H14N2O2S 214.07761 http://www.hmdb.ca/metabolites/HMDB04822 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04822 Methyl bisnorbiotinyl ketone C9H14N2O2S 214.07761 http://www.hmdb.ca/metabolites/HMDB04822 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04822 Methyl bisnorbiotinyl ketone C9H14N2O2S 214.07761 http://www.hmdb.ca/metabolites/HMDB04822 HMDB NA NA +HMDB04822 Methyl bisnorbiotinyl ketone C9H14N2O2S 214.07761 HMDB04822 PFEM_hmdb_metabocards_official NA NA +MJ008725 7-(Methylthio)-1,3,5,7-tridecatetraene-9,11-diyne C14H14S 214.081621 NA MeJP NA NA +MJ008726 3-(5-Hydroxymethyl-5-methyl-2-oxo-5H-furan-3-yl)-2-methylpropanoic acid C10H14O5 214.084123 NA MeJP NA NA +MJ008727 Acetomycin C10H14O5 214.084123 NA MeJP NA NA +MJ008728 Borreriagenin C10H14O5 214.084123 NA MeJP NA NA +MJ008729 Decarestrictine B C10H14O5 214.084123 NA MeJP NA NA +MJ008730 Guaiacylglycerol C10H14O5 214.084123 NA MeJP NA NA +MJ008731 Macedonine C10H14O5 214.084123 NA MeJP NA NA +MJ008732 Paeoniflorigenone; Debenzoyl C10H14O5 214.084123 NA MeJP NA NA +MJ008733 Seneciphyllic acid C10H14O5 214.084123 NA MeJP NA NA +C11802 Oxaburimamide C8H14N4OS 214.0888 NA KEGG NA NA +C14332 Metribuzin C8H14N4OS 214.0888 NA KEGG NA NA +HMDB00851 Pyridinoline C18H28N4O8 214.095352 MH2+ Inhouse_peptide NA peptide +MJ008734 Cyclo(aspartylleucyl) C9H14N2O4 214.095356 NA MeJP NA NA +MJ008735 Pedatisectine E C9H14N2O4 214.095356 NA MeJP NA NA +MJ008736 2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole C10H10N6 214.096694 NA MeJP NA NA +MJ008737 Pseudozoanthoxin A C10H10N6 214.096694 NA MeJP NA NA +MJ008738 1,2-Bis(3-hydroxyphenyl)ethane C14H14O2 214.099379 NA MeJP NA NA +MJ008739 1-(3,5-Dihydroxyphenyl)-2-phenylethane C14H14O2 214.099379 NA MeJP NA NA +MJ008740 1-(3-Hydroxyphenyl)-2-(4-hydroxyphenyl)ethane C14H14O2 214.099379 NA MeJP NA NA +MJ008741 2,4,6,8,10,12-Tetradecahexaenedial C14H14O2 214.099379 NA MeJP NA NA +MJ008742 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene C14H14O2 214.099379 NA MeJP NA NA +MJ008743 3,11-Tridecadiene-5,7,9-triyne-1,2-diol, 2-Me ether C14H14O2 214.099379 NA MeJP NA NA +MJ008744 3,5-Biphenyldiol; Di-Me ether C14H14O2 214.099379 NA MeJP NA NA +MJ008745 4,6-Tetradecadiene-8,10,12-triyn-1-ol, 4,5-Epoxide C14H14O2 214.099379 NA MeJP NA NA +MJ008746 4,6-Tetradecadiene-8,10,12-triyne-1,3-diol C14H14O2 214.099379 NA MeJP NA NA +MJ008747 7-Phenyl-2,4,6-heptatrienoic acid, Me ester C14H14O2 214.099379 NA MeJP NA NA +MJ008748 Boropinal A C14H14O2 214.099379 NA MeJP NA NA +MJ008749 Ichthyothereol C14H14O2 214.099379 NA MeJP NA NA +MJ008750 Platyphyllide C14H14O2 214.099379 NA MeJP NA NA +MJ008751 Seselin; 2-Deoxo C14H14O2 214.099379 NA MeJP NA NA +MJ008752 Spiro[cyclohexane-1,2'(2H)-indan]-1',4(3'H)-dione C14H14O2 214.099379 NA MeJP NA NA +MJ008753 Tetradehydrochromoarnottione C14H14O2 214.099379 NA MeJP NA NA +MJ008754 Xanthorrhoein C14H14O2 214.099379 NA MeJP NA NA +MetaCyc01985 dihydropinosylvin [] C14H14O2 214.09938 NA metacyc NA NA +HMDB12111 (+)-(1R,2R)-1,2-Diphenylethane-1,2-diol C14H14O2 214.09938 NA HMDB2010 NA NA +C10254 Dihydropinosylvin C14H14O2 214.0994 NA KEGG NA NA +C10269 Lunularin C14H14O2 214.0994 NA KEGG NA NA +C11834 4-Benzyloxybenzyl alcohol C14H14O2 214.0994 NA KEGG NA NA +C13687 Cunaniol C14H14O2 214.0994 NA KEGG NA NA +C14341 4,4'-Dihydroxybibenzyl C14H14O2 214.0994 NA KEGG NA NA +C14349 1,1-Bis(4-hydroxyphenyl)ethane C14H14O2 214.0994 NA KEGG NA NA +C16015 (+)-(1R,2R)-1,2-Diphenylethane-1,2-diol C14H14O2 214.0994 NA KEGG NA NA +C16016 Urotensin II C14H14O2 214.0994 NA KEGG NA NA +C16017 alpha-Endorphin C14H14O2 214.0994 NA KEGG NA NA +C16018 gamma-Endorphin C14H14O2 214.0994 NA KEGG NA NA +C16019 beta-Lipotropin C14H14O2 214.0994 NA KEGG NA NA +C16020 gamma-Lipotropin C14H14O2 214.0994 NA KEGG NA NA +C16021 Somatostatin-28 C14H14O2 214.0994 NA KEGG NA NA +C16022 Somatostatin-14 C14H14O2 214.0994 NA KEGG NA NA +C16023 Cortistatin-29 C14H14O2 214.0994 NA KEGG NA NA +C16024 Cortistatin-17 C14H14O2 214.0994 NA KEGG NA NA +C16025 Ghrelin C14H14O2 214.0994 NA KEGG NA NA +C16027 Cocaine- and Amphetamine- regulated transcript (1-39) C14H14O2 214.0994 NA KEGG NA NA +8182 ACE Inhibitor ALEP 214.1075 MH2+ Inhouse_peptide NA peptide +C06536 Harmaline C13H14N2O 214.1106 NA KEGG NA NA +HMDB03188 Harmaline C13H14N2O 214.11061 http://www.hmdb.ca/metabolites/HMDB03188 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03188 Harmaline C13H14N2O 214.11061 http://www.hmdb.ca/metabolites/HMDB03188 HMDB NA NA +HMDB03188 Harmaline C13H14N2O 214.11061 http://www.hmdb.ca/metabolites/HMDB03188 PFEM_hmdb_metabocards_blood NA blood +HMDB03188 Harmaline C13H14N2O 214.11061 HMDB03188 PFEM_hmdb_metabocards_official NA NA +MJ008755 3,4-Dihydro-1-methyl-?-carboline; 6-Methoxy C13H14N2O 214.110613 NA MeJP NA NA +MJ008756 5,6-Dihydro-3-phenyl-4H-pyrrolo[1,2-b]pyrazole; 4'-Methoxy C13H14N2O 214.110613 NA MeJP NA NA +MJ008757 Fenyramidol C13H14N2O 214.110613 NA MeJP NA NA +MJ008758 Harmalol; Me ether C13H14N2O 214.110613 NA MeJP NA NA +MJ008759 Radolmidine C13H14N2O 214.110613 NA MeJP NA NA +MJ008760 Rofelodine C13H14N2O 214.110613 NA MeJP NA NA +MJ008761 Velnacrine C13H14N2O 214.110613 NA MeJP NA NA +C01223 Methyl 2-diazoacetamidohexonate C9H16N3O3 214.1192 NA KEGG NA NA +C01224 N-Acetyl-beta-D-galactosaminide C8H14NO6R 214.1192 NA KEGG NA NA +C04130 Methyl 2-diazoacetamidohexanoate C9H16N3O3 214.1192 NA KEGG NA NA +C04131 Monoamide of a dicarboxylic acid C2H3NO3 214.1192 NA KEGG NA NA +3181 dipeptidyl-aminopeptidase IV inhibitor VP 214.12 celiac toxic Inhouse_peptide NA peptide +7587 ACE inhibitor VP 214.12 antioxidative Inhouse_peptide NA peptide +MJ008762 2-Hexyl-3-methylenebutanedioic acid C11H18O4 214.120509 NA MeJP NA NA +MJ008763 2-Hexylidene-3-methylbutanedioic acid C11H18O4 214.120509 NA MeJP NA NA +MJ008764 3-Isopropyl-1-methyl-1,2-cyclopentanedicarboxylic acid C11H18O4 214.120509 NA MeJP NA NA +MJ008765 6,7-Dihydroxy-2,6-dimethyl-2,4-octadienoic acid, Me ester C11H18O4 214.120509 NA MeJP NA NA +MJ008766 Agistatin B C11H18O4 214.120509 NA MeJP NA NA +MJ008767 Citreoviral C11H18O4 214.120509 NA MeJP NA NA +MJ008768 Mussaenin C C11H18O4 214.120509 NA MeJP NA NA +MJ008769 Pestalotin C11H18O4 214.120509 NA MeJP NA NA +MJ008770 Phaseolinic acid C11H18O4 214.120509 NA MeJP NA NA +MJ008771 Tetradenolide C11H18O4 214.120509 NA MeJP NA NA +CJpos0562 2-methoxy-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]acetamide (and isomers) [(M+H)]+ C10H19N2O3 214.131175 C18rt(min)=1.05 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0563 2-methoxy-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]acetamide (and isomers) [(M+H)]+ C10H19N2O3 214.131175 C18rt(min)=1.65 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0562 2-methoxy-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]acetamide (and isomers) [(M+H)]+ C10H19N2O3 214.131175 C18rt(min)=1.05 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0563 2-methoxy-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]acetamide (and isomers) [(M+H)]+ C10H19N2O3 214.131175 C18rt(min)=1.65 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C01909 Dethiobiotin C10H18N2O3 214.1317 NA KEGG NA NA +C01910 Dinucleotide C10H18O13P2R2 214.1317 NA KEGG NA NA +HMDB03581 Dethiobiotin C10H18N2O3 214.13174 http://www.hmdb.ca/metabolites/HMDB03581 HMDB NA NA +HMDB03581 Dethiobiotin C10H18N2O3 214.13174 HMDB03581 PFEM_hmdb_metabocards_official NA NA +MJ008772 5-Methyl-2-oxo-4-imidazolidinehexanoic acid C10H18N2O3 214.131742 NA MeJP NA NA +MJ008773 Dethiobiotin C10H18N2O3 214.131742 NA MeJP NA NA +MetaCyc01986 dethiobiotin [Desthiobiotin;DTB;] C10H18N2O3 214.131742 533-48-2 metacyc NA NA +HMDB03581 Dethiobiotin C10H18N2O3 214.131744 NA HMDB2010 NA NA +PJ000045 PV C10H18N2O3 214.1318 NA PeJP NA NA +MJ008774 1,3,5,7(11),9-Guaiapentaen-15-ol C15H18O 214.135765 NA MeJP NA NA +MJ008775 1,4,8,10-Pentadecatetraen-6-yn-3-one C15H18O 214.135765 NA MeJP NA NA +MJ008776 1,8,10-Pentadecatriene-4,6-diyn-3-ol C15H18O 214.135765 NA MeJP NA NA +MJ008777 1-(3-Methylbutyloxy)naphthalene C15H18O 214.135765 NA MeJP NA NA +MJ008778 15-Cadalenol C15H18O 214.135765 NA MeJP NA NA +MJ008779 2,8,10-Pentadecatriene-4,6-diyn-1-ol C15H18O 214.135765 NA MeJP NA NA +MJ008780 2,9-Pentadecadiene-4,6-diyn-1-al C15H18O 214.135765 NA MeJP NA NA +MJ008781 2-Isopropyl-4,7-dimethyl-1-naphthol C15H18O 214.135765 NA MeJP NA NA +MJ008782 3-Cadalenol C15H18O 214.135765 NA MeJP NA NA +MJ008783 5,7,13-Pentadecatriene-9,11-diyn-1-ol C15H18O 214.135765 NA MeJP NA NA +MJ008784 5,7,13-Pentadecatriene-9,11-diyn-4-ol C15H18O 214.135765 NA MeJP NA NA +MJ008785 5-Isopropyl-3-methyl-2-naphthol; Me ether C15H18O 214.135765 NA MeJP NA NA +MJ008786 7,13-Pentadecadiene-9,11-diyn-4-one C15H18O 214.135765 NA MeJP NA NA +MJ008787 7,13-Pentadecadiene-9,11-diyn-6-one C15H18O 214.135765 NA MeJP NA NA +MJ008788 8,10,14-Pentadecatriene-4,6-diyn-3-ol C15H18O 214.135765 NA MeJP NA NA +MJ008789 8,12-Epoxy-1(10),4(15),7,11-guaiatetraene; 5?-form C15H18O 214.135765 NA MeJP NA NA +MJ008790 8,12-Epoxy-4(15),5,7,11-cadinatetraene C15H18O 214.135765 NA MeJP NA NA +MJ008791 8,12-Epoxy-4(15),7,10(14),11-guaiatetraene C15H18O 214.135765 NA MeJP NA NA +MJ008792 Agassizin C15H18O 214.135765 NA MeJP NA NA +MJ008793 Chromolaenin; 1?,2-Dihydro C15H18O 214.135765 NA MeJP NA NA +MJ008794 Farfugin A C15H18O 214.135765 NA MeJP NA NA +MJ008795 Farfugin B C15H18O 214.135765 NA MeJP NA NA +MJ008796 Furanoeudesma-1,3-diene C15H18O 214.135765 NA MeJP NA NA +MJ008797 Furanotriene C15H18O 214.135765 NA MeJP NA NA +MJ008798 Furodysinin, 8,9-Didehydro C15H18O 214.135765 NA MeJP NA NA +MJ008799 Furoventalene C15H18O 214.135765 NA MeJP NA NA +MJ008800 Isofuranotriene C15H18O 214.135765 NA MeJP NA NA +MJ008801 Laurene; 15-Oxo C15H18O 214.135765 NA MeJP NA NA +MJ008802 Lindenene C15H18O 214.135765 NA MeJP NA NA +MJ008803 Lindestrene C15H18O 214.135765 NA MeJP NA NA +MJ008804 Marmelerin C15H18O 214.135765 NA MeJP NA NA +MJ008805 Pallescensin C C15H18O 214.135765 NA MeJP NA NA +MJ008806 Pallescensin D C15H18O 214.135765 NA MeJP NA NA +MJ008807 Pallescensin F C15H18O 214.135765 NA MeJP NA NA +MJ008808 Pallescensin G C15H18O 214.135765 NA MeJP NA NA +MJ008809 Pyrocurzerenone; 4,5-Dihydro C15H18O 214.135765 NA MeJP NA NA +MJ008810 Tsitsikammafuran C15H18O 214.135765 NA MeJP NA NA +MJ008811 6,7,8,9-Tetrahydro-N,N-dimethyl-3H-benz[e]indol-8-amine C14H18N2 214.146998 NA MeJP NA NA +MJ008812 Cyclindole C14H18N2 214.146998 NA MeJP NA NA +MJ008813 Tefazoline C14H18N2 214.146998 NA MeJP NA NA +HMDB06830 Protein N6,N6,N6-trimethyl-L-lysine C10H20N3O2 214.15555 http://www.hmdb.ca/metabolites/HMDB06830 HMDB NA NA +HMDB06830 Protein N6,N6,N6-trimethyl-L-lysine C10H20N3O2 214.15555 HMDB06830 PFEM_hmdb_metabocards_official NA NA +HMDB10727 3-Oxododecanoic acid C12H22O3 214.156891 NA HMDB2010 NA NA +MJ008814 12-Hydroxy-9-dodecenoic acid C12H22O3 214.156894 NA MeJP NA NA +MJ008815 2-Propyl-1,3-dioxaspiro[5.5]undecan-9-ol C12H22O3 214.156894 NA MeJP NA NA +MJ008816 3,3,5-Trimethylcyclohexanol; O-(2-Hydroxypropanoyl) C12H22O3 214.156894 NA MeJP NA NA +MJ008817 3-Hydroxy-5-dodecenoic acid C12H22O3 214.156894 NA MeJP NA NA +MJ008818 6-Ethyl-3-hydroxy-3,7-dimethyl-4-octenoic acid C12H22O3 214.156894 NA MeJP NA NA +MJ008819 6-Hydroxymethyl-2-methyl-1,7-octadiene-3,6-diol; 3,10-Dimethyl ether C12H22O3 214.156894 NA MeJP NA NA +MJ008820 Dihydro-4-hydroxy-5-methyl-3-(5-methylhexyl)-2(3H)-furanone C12H22O3 214.156894 NA MeJP NA NA +MJ008821 Putaminoxin; 5-Epimer, 6,7-dihydro C12H22O3 214.156894 NA MeJP NA NA +MJ008822 Streptoketol B C12H22O3 214.156894 NA MeJP NA NA +MJ008823 ?,5-Dimethyl-2-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane-7-methanol C12H22O3 214.156894 NA MeJP NA NA +MetaCyc01987 3-oxododecanoate [3-oxododecanoic acid;] C12H22O3 214.156895 NA metacyc NA NA +C02367 3-Oxododecanoic acid C12H22O3 214.1569 NA KEGG NA NA +MJ008824 3,13-Hexadecadiene-1,15-diyne C16H22 214.17215 NA MeJP NA NA +HMDB00910 Tridecanoic acid C13H26O2 214.19328 http://www.hmdb.ca/metabolites/HMDB00910 HMDB NA NA +MJ008825 10-Methyldodecanoic acid C13H26O2 214.19328 NA MeJP NA NA +MJ008826 2,6-Dimethyl-3-nonanol; Ac C13H26O2 214.19328 NA MeJP NA NA +MJ008827 2,6-Dimethylundecanoic acid C13H26O2 214.19328 NA MeJP NA NA +MJ008828 2-Methyldecanoic acid, Et ester C13H26O2 214.19328 NA MeJP NA NA +MJ008829 2-Methyldodecanoic acid C13H26O2 214.19328 NA MeJP NA NA +MJ008830 7-Methyl-4-decanol; Ac C13H26O2 214.19328 NA MeJP NA NA +MJ008831 Dodecanoic acid; Me ester C13H26O2 214.19328 NA MeJP NA NA +MJ008832 Tridecanoic acid C13H26O2 214.19328 NA MeJP NA NA +HMDB00910 Tridecanoic acid C13H26O2 214.19328 HMDB00910 PFEM_hmdb_metabocards_official NA NA +HMDB00910 Tridecanoic acid C13H26O2 214.193283 NA HMDB2010 NA NA +C16640 CAI-1 C13H26O2 214.1933 NA KEGG NA NA +C17076 Tridecanoic acid C13H26O2 214.1933 NA KEGG NA NA +HMDB11638 Tetradecanol C14H30O 214.22966 NA HMDB2010 NA NA +MJ008833 1-Tetradecanol C14H30O 214.229665 NA MeJP NA NA +MJ008834 3,9-Dimethyl-6-dodecanol C14H30O 214.229665 NA MeJP NA NA +MJ008835 4-Methyl-7-tridecanol C14H30O 214.229665 NA MeJP NA NA +7980 synthetic peptide HHH 214.587 MH2+ Inhouse_peptide NA peptide +3382 ACE inhibitor GWAP 214.5945 MH2+ Inhouse_peptide NA peptide +8047 synthetic peptide PWQ 214.5945 MH2+ Inhouse_peptide NA peptide +MJ008836 4-(2-Aminoethyl)-2-bromophenol C8H10BrNO 214.994576 NA MeJP NA NA +MetaCyc01988 erythronate-4-phosphate [4-Phospho-D-erythronate;4-phosphoerythronate;erythronate-4P;D-erythronate-4-phosphate;D-erythronate-4P;] C4H8O8P1 214.995679 NA metacyc NA NA +CJpos0564 Citric acid [M+Na]+ (13C) C5[13]CH8O7Na 215.011775 C18rt(min)=1.09 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0564 Citric acid [M+Na]+ (13C) C5[13]CH8O7Na 215.011775 C18rt(min)=1.09 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +HMDB06802 O-Phospho-4-hydroxy-L-threonine C4H10NO7P 215.019485 NA HMDB2010 NA NA +MJ008837 O-Phospho-4-hydroxy-L-threonine C4H10NO7P 215.019488 NA MeJP NA NA +MetaCyc01989 4-(phosphonooxy)-threonine [4-(Phosphonooxy)-L-threonine;] C4H10N1O7P1 215.019488 NA metacyc NA NA +HMDB06802 O-Phospho-4-hydroxy-L-threonine C4H10NO7P 215.01949 http://www.hmdb.ca/metabolites/HMDB06802 HMDB NA NA +HMDB06802 O-Phospho-4-hydroxy-L-threonine C4H10NO7P 215.01949 HMDB06802 PFEM_hmdb_metabocards_official NA NA +C06055 O-Phospho-4-hydroxy-L-threonine C4H10NO7P 215.0195 NA KEGG NA NA +MJ008838 Tiamenidine C8H10ClN3S 215.028395 NA MeJP NA NA +EUR015 3-chlorotyrosine C9H10ClNO3 215.0349 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR015 3-chlorotyrosine C9H10ClNO3 215.0349 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR015 3-chlorotyrosine C9H10ClNO3 215.0349 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR015 3-chlorotyrosine C9H10ClNO3 215.0349 Wishlist Inhousejuil11 NA NA +MJ008839 2-Amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid C9H10ClNO3 215.03492 NA MeJP NA NA +EUR015 3-chlorotyrosine C9H10ClNO3 215.034922 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR015 3-chlorotyrosine C9H10ClNO3 215.034922 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR015 3-chlorotyrosine C9H10ClNO3 215.034922 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR015 3-chlorotyrosine C9H10ClNO3 215.034922 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR015 3-chlorotyrosine C9H10ClNO3 215.034922 Wishlist HMDB NA NA +EUR015 3-chlorotyrosine C9H10ClNO3 215.034922 Wishlist Inhouse_PFEM NA NA +EUR015 3-chlorotyrosine C9H10ClNO3 215.034922 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR015 3-chlorotyrosine C9H10ClNO3 215.034922 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB01885 3-Chlorotyrosine C9H10ClNO3 215.034927 NA HMDB2010 NA NA +HMDB01885 3-Chlorotyrosine C9H10ClNO3 215.03493 http://www.hmdb.ca/metabolites/HMDB01885 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01885 3-Chlorotyrosine C9H10ClNO3 215.03493 http://www.hmdb.ca/metabolites/HMDB01885 HMDB NA NA +HMDB01885 3-Chlorotyrosine C9H10ClNO3 215.03493 Polypeptides ;SYN:GSSG; Glutathione disulfide; Oxiglutatione; L(-)-Glutathione(oxidized)H2Blood; Cerebrospinal Fluid Inhouse_peptide NA peptide +HMDB01885 3-Chlorotyrosine C9H10ClNO3 215.03493 http://www.hmdb.ca/metabolites/HMDB01885 PFEM_hmdb_metabocards_blood NA blood +HMDB01885 3-Chlorotyrosine C9H10ClNO3 215.03493 HMDB01885 PFEM_hmdb_metabocards_official NA NA +CJneg0388 Hippuric acid [(M+Cl)]- C9H9ClNO3 215.035425 C18rt(min)=5.87 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0388 Hippuric acid [(M+Cl)]- C9H9ClNO3 215.035425 C18rt(min)=5.87 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ008840 Sulfanilylurea C7H9N3O3S 215.036461 NA MeJP NA NA +MJ008841 10H-Phenothiazin-1-ol C12H9NOS 215.040484 NA MeJP NA NA +MJ008842 Pyrido[3,2-g]pteridine-2,4(1H,3H)-dione C9H5N5O2 215.044324 NA MeJP NA NA +HMDB00114 Glycerylphosphorylethanolamine C5H14NO6P 215.05586 http://www.hmdb.ca/metabolites/HMDB00114 HMDB NA NA +HMDB00114 Glycerylphosphorylethanolamine C5H14NO6P 215.05586 HMDB00114 PFEM_hmdb_metabocards_official NA NA +MJ008843 sn-Glycero-3-phosphoethanolamine C5H14NO6P 215.055873 NA MeJP NA NA +MetaCyc01990 L-1-glycerophosphorylethanolamine [sn-Glycero-3-phosphoethanolamine;1-glycerophosphorylethanolamine;] C5H14N1O6P1 215.055874 NA metacyc NA NA +HMDB00114 Glycerylphosphorylethanolamine C5H14NO6P 215.055878 NA HMDB2010 NA NA +C01233 sn-glycero-3-Phosphoethanolamine C5H14NO6P 215.0559 NA KEGG NA NA +C10736 Robustine C12H9NO3 215.0582 NA KEGG NA NA +MJ008844 Furo[2,3-b]quinoline-4,6-diol; NH-form, N-Me C12H9NO3 215.058243 NA MeJP NA NA +MJ008845 Furo[2,3-b]quinoline-4,7-diol; OH-form, 4-Me ether C12H9NO3 215.058243 NA MeJP NA NA +MJ008846 Furo[2,3-b]quinoline-4,8-diol; OH-form, 4-Me ether C12H9NO3 215.058243 NA MeJP NA NA +MJ008847 2-Amino-3-(2-fluoro-4,5-dihydroxyphenyl)propanoic acid C9H10FNO4 215.059386 NA MeJP NA NA +MJ008848 Naftazone C11H9N3O2 215.069476 NA MeJP NA NA +MJ008849 Pirquinozol C11H9N3O2 215.069476 NA MeJP NA NA +MJ008850 Zyzzin; 5-Oxo analogue, C(4), N-dihydro C11H9N3O2 215.069476 NA MeJP NA NA +MJ008851 1-Methyl-4-mercaptohistidine, N?-Me C8H13N3O2S 215.072847 NA MeJP NA NA +MJ008852 Euscamine A C9H13NO5 215.079372 NA MeJP NA NA +MJ008853 Fulvanine A C9H13NO5 215.079372 NA MeJP NA NA +MJ008854 Glycerinopyrin C9H13NO5 215.079372 NA MeJP NA NA +C11711 Succinyl proline C9H13NO5 215.0794 NA KEGG NA NA +C08272 Kinetin C10H9N5O 215.0807 NA KEGG NA NA +HMDB12245 Kinetin C10H9N5O 215.080704 NA HMDB2010 NA NA +MJ008855 Kinetin C10H9N5O 215.080709 NA MeJP NA NA +MetaCyc01991 kinetin [] C10H9N5O1 215.08071 NA metacyc NA NA +8041 synthetic peptide PWE 215.0865 MH2+ Inhouse_peptide NA peptide +MJ008856 4-Ethyl-2-(hydroxyimino)-5-nitro-3-hexenamide C8H13N3O4 215.090605 NA MeJP NA NA +MJ008857 5-Aminoimidazole riboside C8H13N3O4 215.090605 NA MeJP NA NA +MetaCyc01992 atrazine [2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine;] C8H14CL1N5 215.093773 1912-24-9 metacyc NA NA +C06551 Atrazine C8H14ClN5 215.0938 NA KEGG NA NA +MJ008858 3-Hydroxy-5-methyl-1-naphthalenecarboxylic acid; Me ether, amide C13H13NO2 215.094628 NA MeJP NA NA +MJ008859 4-Amino-2-methyl-1-naphthol; N-Ac C13H13NO2 215.094628 NA MeJP NA NA +MJ008860 5-(3-Methyl-2-butenyl)-1H-indole-2,3-dione C13H13NO2 215.094628 NA MeJP NA NA +MJ008861 6-(3-Methyl-2-butenyl)-1H-indole-2,3-dione C13H13NO2 215.094628 NA MeJP NA NA +MJ008862 Dilemmaone A; O-De-Me C13H13NO2 215.094628 NA MeJP NA NA +MJ008863 Phenopyrrozin C13H13NO2 215.094628 NA MeJP NA NA +MJ008864 1,4-Dihydro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-5H-pyrrolo[3,2-b]pyridin-5-one C12H13N3O 215.105862 NA MeJP NA NA +MJ008865 Fenyripol C12H13N3O 215.105862 NA MeJP NA NA +8093 peptide derived from porcine collagen QGAR 215.1085 MH2+ Inhouse_peptide NA peptide +HMDB13124 Propenoylcarnitine C10H17NO4 215.115753 NA HMDB2010 NA NA +MJ008866 ?-Amino-?-oxooxiraneoctanoic acid C10H17NO4 215.115758 NA MeJP NA NA +C12027 2-Amino-9,10-epoxy-8-oxodecanoic acid C10H17NO4 215.1158 NA KEGG NA NA +MJ008867 Indanidine C11H13N5 215.117095 NA MeJP NA NA +8011 synthetic peptide LWI 215.1235 MH2+ Inhouse_peptide NA peptide +MJ008868 Dopastin C9H17N3O3 215.126991 NA MeJP NA NA +MJ008869 2,8-Decadiene-4,6-diynoic acid, 2-Methylpropylamide C14H17NO 215.131014 NA MeJP NA NA +MJ008870 2-Pentyl-4(1H)-quinolinone C14H17NO 215.131014 NA MeJP NA NA +MJ008871 Thalebanin B, 2,3-Didehydro C14H17NO 215.131014 NA MeJP NA NA +MJ008872 Tramazoline C13H17N3 215.142247 NA MeJP NA NA +C08094 Rimantadine hydrochloride C12H21N 215.1441 NA KEGG NA NA +MJ008873 Fencamfamin C15H21N 215.167399 NA MeJP NA NA +MJ008874 Guaipyridine C15H21N 215.167399 NA MeJP NA NA +MJ008875 Patchoulipyridine C15H21N 215.167399 NA MeJP NA NA +MJ008876 N-(2-Ethylhexyl)-3-hydroxybutanamide C12H25NO2 215.188529 NA MeJP NA NA +MJ008877 Solamine C12H29N3 215.236147 NA MeJP NA NA +7950 synthetic peptide YYS 215.579 MH2+ Inhouse_peptide NA peptide +7972 synthetic peptide YSY 215.579 MH2+ Inhouse_peptide NA peptide +7974 synthetic peptide SYY 215.579 MH2+ Inhouse_peptide NA peptide +8004 peptide derived from sardinelle by-products proteins (Sardinella aurita) LHY 215.6025 MH2+ Inhouse_peptide NA peptide +8014 synthetic peptide LWN 215.60295 MH2+ Inhouse_peptide NA peptide +8071 synthetic peptide RWA 215.6085 MH2+ Inhouse_peptide NA peptide +MJ008878 Chloro(trichloromethyl) disulfide CCl4S2 215.819552 NA MeJP NA NA +MJ008879 1-Bromo-3,4-dichloro-3-buten-2-one C4H3BrCl2O 215.874432 NA MeJP NA NA +MJ008880 1,1-Dibromo-2-propanol C3H6Br2O 215.87854 NA MeJP NA NA +MJ008881 1,3-Dibromo-2-propanol C3H6Br2O 215.87854 NA MeJP NA NA +C06597 1,3,4,6-Tetrachloro-1,4-cyclohexadiene C6H4Cl4 215.9067 NA KEGG NA NA +MJ008882 1,3,4,6-Tetrachloro-1,4-cyclohexadiene C6H4Cl4 215.906711 NA MeJP NA NA +MetaCyc01993 1,3,4,6-tetrachloro-1,4-cyclohexadiene [1,4-TCDN;] C6H4CL4 215.906711 NA metacyc NA NA +MJ008883 Methyl 2-propenyl pentasulfide C4H8S5 215.922953 NA MeJP NA NA +MJ008884 2,4,6-Trithiaheptane-3-thione 6,6-dioxide C4H8O2S4 215.940712 NA MeJP NA NA +MJ008885 3-Bromo-4,5-dihydroxybenzaldehyde C7H5BrO3 215.942206 NA MeJP NA NA +MJ008886 3-Bromo-4-hydroxybenzoic acid C7H5BrO3 215.942206 NA MeJP NA NA +C07269 Nitroprusside C5FeN6O 215.9483 NA KEGG NA NA +MJ008887 3-Bromo-4-hydroxybenzyl alcohol; 1'-Me ether C8H9BrO2 215.978592 NA MeJP NA NA +C04399 S-Methyl-3-phospho-1-thio-D-glycerate C4H9O6PS 215.9857 NA KEGG NA NA +MJ008888 4-Bromo-2-(guanidinomethyl)pyrrole C6H9BrN4 216.001058 NA MeJP NA NA +C03356 3-Phospho-D-erythronate C4H9O8P 216.0035 NA KEGG NA NA +C03393 4-Phospho-D-erythronate C4H9O8P 216.0035 NA KEGG NA NA +MJ008889 4-Phospho-D-erythronate C4H9O8P 216.003503 NA MeJP NA NA +MJ008890 Psoralenquinone C11H4O5 216.005873 NA MeJP NA NA +C08397 5-(3-Buten-1-ynyl)-2,2'-bithienyl C12H8S2 216.0067 NA KEGG NA NA +MJ008891 5-(3-Buten-1-ynyl)-2,2'-bithiophene C12H8S2 216.006741 NA MeJP NA NA +C06722 1,2-Dihydroxydibenzothiophene C12H8O2S 216.0245 NA KEGG NA NA +MetaCyc01994 dibenzothiophene-5,5-dioxide [DBTO2;dibenzothiophene sulfone;dibenzothiophene dioxide;] C12H8O2S1 216.0245 1016-05-3 metacyc NA NA +MetaCyc01995 1,2-dihydroxydibenzothiophene [] C12H8O2S1 216.0245 NA metacyc NA NA +C13085 Sodium glucuronate C6H9O7 216.0246 NA KEGG NA NA +C04052 5-Carboxy-2-oxohept-3-enedioate C8H8O7 216.027 NA KEGG NA NA +C04186 5-Carboxymethyl-2-hydroxymuconate C8H8O7 216.027 NA KEGG NA NA +MJ008892 5-Carboxy-2-oxohept-3-enedioate C8H8O7 216.027002 NA MeJP NA NA +MJ008893 5-Carboxymethyl-2-hydroxymuconate C8H8O7 216.027002 NA MeJP NA NA +MetaCyc01996 5-carboxy-2-oxohept-3-enedioate [OPET;5-carboxy-2-oxohex-3-ene-1,6-dioate;5-oxopent-3-ene-1,2,5-tricarboxylate;1-oxopent-3-ene-1,4,5-tricarboxylate;] C8H8O7 216.027003 NA metacyc NA NA +MetaCyc01997 5-carboxymethyl-2-hydroxymuconate [2-hydroxy-5-carboxymethylmuconate;5-carboxymethyl-2-hydroxy-cis,cis-muconate;] C8H8O7 216.027003 NA metacyc NA NA +MJ008894 N-Ethyl-N'-(5-nitro-2-thiazolyl)urea C6H8N4O3S 216.03171 NA MeJP NA NA +MJ008895 1-Chloro-3-tridecene-5,7,9,11-tetrayn-2-ol C13H9ClO 216.034192 NA MeJP NA NA +MJ008896 2-Chloro-3-tridecene-5,7,9,11-tetrayn-1-ol C13H9ClO 216.034192 NA MeJP NA NA +MJ008897 2-Chloromethyl-2,5-dihydro-5-(2,4,6-octatriynylidene)furan C13H9ClO 216.034192 NA MeJP NA NA +MJ008898 5-Chloro-5,6-dihydro-2-(2,4,6-octatriynylidene)-2H-pyran C13H9ClO 216.034192 NA MeJP NA NA +MetaCyc01998 2-C-methyl-D-erythritol-4-phosphate [MEP;] C5H13O7P1 216.039889 NA metacyc NA NA +C11434 2-C-Methyl-D-erythritol 4-phosphate C5H13O7P 216.0399 NA KEGG NA NA +CJneg0389 Hexose [(M+Cl)]- C6H12ClO6 216.040625 C18rt(min)=0.92 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0389 Hexose [(M+Cl)]- C6H12ClO6 216.040625 C18rt(min)=0.92 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ008899 1,4-Azulenedicarboxylic acid C12H8O4 216.042258 NA MeJP NA NA +MJ008900 2H-Furo[2,3-h][1]benzopyran-2-one; 3-Methoxy C12H8O4 216.042258 NA MeJP NA NA +MJ008901 4-Hydroxy-2H-furo[2,3-h]-1-benzopyran-2-one; Me ether C12H8O4 216.042258 NA MeJP NA NA +MJ008902 6-(3,4-Methylenedioxyphenyl)-2H-pyran-2-one C12H8O4 216.042258 NA MeJP NA NA +MJ008903 6-Hydroxy-2H-furo[2,3-h]-1-benzopyran-2-one; Me ether C12H8O4 216.042258 NA MeJP NA NA +MJ008904 Bergaptol; Me ether C12H8O4 216.042258 NA MeJP NA NA +MJ008905 Isobergaptol; Me ether C12H8O4 216.042258 NA MeJP NA NA +MJ008906 Nitidone C12H8O4 216.042258 NA MeJP NA NA +MJ008907 Visnagin; O-De-Me C12H8O4 216.042258 NA MeJP NA NA +MJ008908 Xanthotoxin C12H8O4 216.042258 NA MeJP NA NA +MetaCyc01999 O-methylbergaptol [] C12H8O4 216.042259 484-20-8 metacyc NA NA +MetaCyc02000 8-methoxyfuranocoumarin [Xanthotoxin;Methoxsalen;O-METHYLXANTHOTOXOL;] C12H8O4 216.042259 298-81-7 metacyc NA NA +MetaCyc02001 5-methoxyfuranocoumarin [] C12H8O4 216.042259 NA metacyc NA NA +C01557 Bergapten C12H8O4 216.0423 NA KEGG NA NA +C01864 Xanthotoxin C12H8O4 216.0423 NA KEGG NA NA +C17843 Norvisnagin C12H8O4 216.0423 NA KEGG NA NA +C18081 Sphondin C12H8O4 216.0423 NA KEGG NA NA +C18082 Isobergapten C12H8O4 216.0423 NA KEGG NA NA +MJ008909 7-Chloro-?-carboline; N-Me C12H9ClN2 216.045426 NA MeJP NA NA +MJ008910 1-(3-Chloro-4-methoxyphenyl)-1,2-propanediol C10H13ClO3 216.055321 NA MeJP NA NA +HMDB04821 Bisnorbiotin C8H12N2O3S 216.05685 http://www.hmdb.ca/metabolites/HMDB04821 PFEM_hmdb_metabocards_urine NA urine +HMDB04821 Bisnorbiotin C8H12N2O3S 216.05685 http://www.hmdb.ca/metabolites/HMDB04821 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04821 Bisnorbiotin C8H12N2O3S 216.05685 http://www.hmdb.ca/metabolites/HMDB04821 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04821 Bisnorbiotin C8H12N2O3S 216.05685 http://www.hmdb.ca/metabolites/HMDB04821 HMDB NA NA +HMDB04821 Bisnorbiotin C8H12N2O3S 216.05685 HMDB04821 PFEM_hmdb_metabocards_official NA NA +MJ008911 6-Aminopenicillanic acid C8H12N2O3S 216.056862 NA MeJP NA NA +MetaCyc02002 6-aminopenicillanate [6-Aminopenicillanic acid;] C8H12N2O3S1 216.056863 551-16-6 metacyc NA NA +HMDB04821 Bisnorbiotin C8H12N2O3S 216.05687 NA HMDB2010 NA NA +C02954 6-Aminopenicillanate C8H12N2O3S 216.0569 NA KEGG NA NA +MJ008912 9-(2-Thienyl)-6-nonen-8-yn-3-one, 4,5-Didehydro (E-) C13H12OS 216.060885 NA MeJP NA NA +MJ008913 9-(2-Thienyl)-6-nonen-8-yn-3-one, 4,5-Didehydro (Z-) C13H12OS 216.060885 NA MeJP NA NA +MJ008914 4,5,6-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one, 6-Ac C9H12O6 216.063388 NA MeJP NA NA +MJ008915 4,5,6-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one, 1'-Ac C9H12O6 216.063388 NA MeJP NA NA +MJ008916 4,5,6-Trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-one, 1'-O-Ac C9H12O6 216.063388 NA MeJP NA NA +MetaCyc02003 cis-(homo)3aconitate [(Z)-1,2,6-hex-1-enetricarboxylic acid;] C9H12O6 216.063388 NA metacyc NA NA +MetaCyc02004 (S)-β-methylindolepyruvate [(S)-β-methylindole-3-pyruvate;] C12H10N1O3 216.066068 NA metacyc NA NA +C10963 Terbacil C9H13ClN2O2 216.0666 NA KEGG NA NA +7648 ACE inhibitor from ovalbumin FCF 216.068 MH2+ Inhouse_peptide NA peptide +C17359 8-Hydroxyalanylclavam C8H12N2O5 216.0746 NA KEGG NA NA +C09954 Nepodin C13H12O3 216.0786 NA KEGG NA NA +C11491 NOP C13H12O3 216.0786 NA KEGG NA NA +C14613 Allenolic acid C13H12O3 216.0786 NA KEGG NA NA +MJ008917 2,3-Dihydro-2-methylnaphtho[1,8-bc]pyran-3,5-diol C13H12O3 216.078644 NA MeJP NA NA +MJ008918 2-Acetyl-3-methyl-1,8-naphthalenediol C13H12O3 216.078644 NA MeJP NA NA +MJ008919 3,11-Tridecadiene-5,7,9-triyne-1,2,13-triol C13H12O3 216.078644 NA MeJP NA NA +MJ008920 3-(1-Butenyl)-1H-2-benzopyran-1-one, 5-Hydroxy C13H12O3 216.078644 NA MeJP NA NA +MJ008921 3-(1-Hydroxy-2-butenyl)-1H-2-benzopyran-1-one C13H12O3 216.078644 NA MeJP NA NA +MJ008922 4,5-Dihydroxy-2-naphthalenecarboxaldehyde; Di-Me ether C13H12O3 216.078644 NA MeJP NA NA +MJ008923 4-Hydroxymethyl-1-azulenecarboxylic acid; Me ester C13H12O3 216.078644 NA MeJP NA NA +MJ008924 4-Hydroxymethyl-1-azulenecarboxylic acid; Me ether C13H12O3 216.078644 NA MeJP NA NA +MJ008925 5-Acetyl-6-hydroxy-2-isopropenylbenzofuran C13H12O3 216.078644 NA MeJP NA NA +MJ008926 5-Hydroxy-3-(2-hydroxyethyl)-2-methyl-1,4-naphthoquinone; 5-Deoxy C13H12O3 216.078644 NA MeJP NA NA +MJ008927 6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-one C13H12O3 216.078644 NA MeJP NA NA +MJ008928 6-(3,4-Dihydroxyphenyl)-3,5-hexadien-2-one; Methylene ether C13H12O3 216.078644 NA MeJP NA NA +MJ008929 7-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-8-en-3-ol, Deoxy, 8,9-epoxy C13H12O3 216.078644 NA MeJP NA NA +MJ008930 7-Hydroxy-8-(2-propenyl)-2H-1-benzopyran-2-one; Me ether C13H12O3 216.078644 NA MeJP NA NA +MJ008931 7-Phenyl-4,6-heptadiyne-1,2,3-triol C13H12O3 216.078644 NA MeJP NA NA +MJ008932 Ageratone; Deacetoxy C13H12O3 216.078644 NA MeJP NA NA +MJ008933 Bitalin A, 12-Aldehyde C13H12O3 216.078644 NA MeJP NA NA +MJ008934 Boropinal B C13H12O3 216.078644 NA MeJP NA NA +MJ008935 Eucalyptene, Parent acid C13H12O3 216.078644 NA MeJP NA NA +MJ008936 Goniothalamin, 5?-Hydroxy C13H12O3 216.078644 NA MeJP NA NA +MJ008937 Goniothalamin, 7R,8R-Epoxide C13H12O3 216.078644 NA MeJP NA NA +MJ008938 Goniothalamin, 7S,8S-Epoxide C13H12O3 216.078644 NA MeJP NA NA +MJ008939 Isoeuparin C13H12O3 216.078644 NA MeJP NA NA +MJ008940 Mukagolactone C13H12O3 216.078644 NA MeJP NA NA +MJ008941 1,2,3,4-Tetrahydro-5-methoxy-1-oxo-?-carboline C12H12N2O2 216.089877 NA MeJP NA NA +MJ008942 1,2,3,4-Tetrahydro-?-carboline-3-carboxylic acid C12H12N2O2 216.089877 NA MeJP NA NA +MJ008943 2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione C12H12N2O2 216.089877 NA MeJP NA NA +MJ008944 3',4'-Dihydrospiro[imidazolidine-4,2'(1'H)-naphthalene]-2,5-dione C12H12N2O2 216.089877 NA MeJP NA NA +MJ008945 Cyclazodone C12H12N2O2 216.089877 NA MeJP NA NA +MJ008946 Damirone A C12H12N2O2 216.089877 NA MeJP NA NA +MJ008947 Ketotetrahydronorharmine C12H12N2O2 216.089877 NA MeJP NA NA +MJ008948 N-[2-(1H-Indol-3-yl)-2-oxoethyl]acetamide C12H12N2O2 216.089877 NA MeJP NA NA +MJ008949 Zimidoben C12H12N2O2 216.089877 NA MeJP NA NA +MJ008950 Tazolol C9H16N2O2S 216.093248 NA MeJP NA NA +C14384 Benzo[b]fluorene C17H12 216.0939 NA KEGG NA NA +8006 synthetic peptide LWD 216.09495 MH2+ Inhouse_peptide NA peptide +7833 ACE inhibitor PT 216.099 immunomodulating Inhouse_peptide NA peptide +MJ008951 3-Methoxy-3-(tetrahydro-5-methoxy-4-methyl-3-furanyl)-2-propenoic acid C10H16O5 216.099773 NA MeJP NA NA +MJ008952 5-Ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid C10H16O5 216.099773 NA MeJP NA NA +MJ008953 Cephalosporolide C C10H16O5 216.099773 NA MeJP NA NA +MJ008954 Crotalaric acid C10H16O5 216.099773 NA MeJP NA NA +MJ008955 Decarestrictine D C10H16O5 216.099773 NA MeJP NA NA +MJ008956 Decarestrictine G C10H16O5 216.099773 NA MeJP NA NA +MJ008957 Decarestrictine M C10H16O5 216.099773 NA MeJP NA NA +MJ008958 Decarestrictine O C10H16O5 216.099773 NA MeJP NA NA +MJ008959 Longiflorone C10H16O5 216.099773 NA MeJP NA NA +C15700 gamma-Glutamyl-gamma-aminobutyraldehyde C9H16N2O4 216.111 NA KEGG NA NA +PJ000046 PT C9H16N2O4 216.111 NA PeJP NA NA +MJ008960 2,5-Diaminopentanoic acid, N2,N5-Di-Ac C9H16N2O4 216.111007 NA MeJP NA NA +MJ008961 Dysibetaine C9H16N2O4 216.111007 NA MeJP NA NA +7499 ACE inhibitor (from bovine as1-CN) FVAP 216.1125 MH2+ Inhouse_peptide NA peptide +MJ008962 1-(2-Hydroxy-5-vinylphenyl)-3-methyl-2-buten-1-one; Me ether C14H16O2 216.115029 NA MeJP NA NA +MJ008963 2,3-Dihydro-2-isopropenyl-6-methoxy-5-vinylbenzofuran C14H16O2 216.115029 NA MeJP NA NA +MJ008964 2,8,10-Tetradecatriene-4,6-diyne-1,14-diol C14H16O2 216.115029 NA MeJP NA NA +MJ008965 2-(6-Methoxy-2-naphthalenyl)-1-propanol C14H16O2 216.115029 NA MeJP NA NA +MJ008966 3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-2-propenoic acid; Alcohol C14H16O2 216.115029 NA MeJP NA NA +MJ008967 4,6,12-Tetradecatriene-8,10-diyne-1,3-diol C14H16O2 216.115029 NA MeJP NA NA +MJ008968 4-Nor-2,6,8-illudalatrien-5,14-olide C14H16O2 216.115029 NA MeJP NA NA +MJ008969 5,5a,6,7-Tetrahydro-1,5-dimethylnaphtho[2,1-b]furan-8(4H)-one C14H16O2 216.115029 NA MeJP NA NA +MJ008970 6-Acetyl-2,2,7-trimethyl-2H-1-benzopyran C14H16O2 216.115029 NA MeJP NA NA +MJ008971 6-Tetradecene-8,10,12-triyne-1,5-diol C14H16O2 216.115029 NA MeJP NA NA +MJ008972 7,11-Tetradecadiene-5,9-diynoic acid C14H16O2 216.115029 NA MeJP NA NA +MJ008973 7-Methoxy-2,2-dimethyl-6-vinyl-2H-1-benzopyran C14H16O2 216.115029 NA MeJP NA NA +MJ008974 8-Norlactaranelactone C14H16O2 216.115029 NA MeJP NA NA +MJ008975 9-(Tetrahydro-2H-pyran-2-yl)-1,8-nonadiene-4,6-diyn-3-ol C14H16O2 216.115029 NA MeJP NA NA +MJ008976 9-(Tetrahydropyran-2-yl)-2,8-nonadiene-4,6-diyn-1-ol C14H16O2 216.115029 NA MeJP NA NA +MJ008977 Drupanin; Aldehyde C14H16O2 216.115029 NA MeJP NA NA +MJ008978 Liguhodgsonal C14H16O2 216.115029 NA MeJP NA NA +MJ008979 Ligujapone C14H16O2 216.115029 NA MeJP NA NA +MJ008980 Precolpuchol C14H16O2 216.115029 NA MeJP NA NA +MJ008981 Tetrahydro-2-(1,7-nonadiene-3,5-diynyl)-2H-pyran-3-ol C14H16O2 216.115029 NA MeJP NA NA +MetaCyc02005 4,9-dimethyldodeca-2,4,6,8,10-pentaene-1,12-dial [] C14H16O2 216.11503 NA metacyc NA NA +HMDB04620 N-a-Acetyl-L-arginine C8H16N4O3 216.122238 NA HMDB2010 NA NA +HMDB04620 N-alpha-Acetyl-L-arginine C8H16N4O3 216.12224 http://www.hmdb.ca/metabolites/HMDB04620 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04620 N-alpha-Acetyl-L-arginine C8H16N4O3 216.12224 http://www.hmdb.ca/metabolites/HMDB04620 HMDB NA NA +HMDB04620 N-a-Acetyl-L-arginine C8H16N4O3 216.12224 NA ;SYN:L-4-hydroxy-proline; L-4-Hydroxyproline; L-4-allo-hydroxy-Proline; 4-hydroxy-L-Proline; cis-4-hydroxy-L-Proline; cis-4-hydroxyproline;(2S)-4-hydroxypyrrolidine-2-carboxylic acid; (4S)-4-hydroxy-L-Proline; allo-4-Hydroxy-L-proline; allo-4-Hydroxyproline; allo-hydroxy-L-Proline; L-AllohydroxyprolineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB04620 N-alpha-Acetyl-L-arginine C8H16N4O3 216.12224 http://www.hmdb.ca/metabolites/HMDB04620 PFEM_hmdb_metabocards_blood NA blood +HMDB04620 N-alpha-Acetyl-L-arginine C8H16N4O3 216.12224 HMDB04620 PFEM_hmdb_metabocards_official NA NA +MJ008982 1,2,3,4-Tetrahydro-1-methyl-?-carboline, 5-Methoxy C13H16N2O 216.126263 NA MeJP NA NA +MJ008983 1,2,3,4-Tetrahydro-6-hydroxy-?-carboline; N2,O-Di-Me C13H16N2O 216.126263 NA MeJP NA NA +MJ008984 1,2,3,4-Tetrahydro-6-methoxy-1-methyl-?-carboline C13H16N2O 216.126263 NA MeJP NA NA +MJ008985 7-Hydroxy-1-methyl-?-carboline; 1,2,3,4-Tetrahydro, N2-Me C13H16N2O 216.126263 NA MeJP NA NA +MJ008986 Cirazoline C13H16N2O 216.126263 NA MeJP NA NA +MJ008987 Efaroxan C13H16N2O 216.126263 NA MeJP NA NA +MJ008988 Girgensonine C13H16N2O 216.126263 NA MeJP NA NA +MJ008989 N-Methyltryptamine; Nb-Ac C13H16N2O 216.126263 NA MeJP NA NA +MJ008990 Newbouldine, 4'-Methoxy C13H16N2O 216.126263 NA MeJP NA NA +MJ008991 Oxantel C13H16N2O 216.126263 NA MeJP NA NA +MJ008992 Tetrahydroharmine C13H16N2O 216.126263 NA MeJP NA NA +C09243 Tetrahydroharmine C13H16N2O 216.1263 NA KEGG NA NA +C10148 Girgensonine C13H16N2O 216.1263 NA KEGG NA NA +3183 dipeptidyl-aminopeptidase IV inhibitor VV 216.136 celiac toxic Inhouse_peptide NA peptide +HMDB00888 Undecanedioic acid C11H20O4 216.13615 http://www.hmdb.ca/metabolites/HMDB00888 HMDB NA NA +HMDB00888 Undecanedioic acid C11H20O4 216.13615 HMDB00888 PFEM_hmdb_metabocards_official NA NA +HMDB00888 Undecanedioic acid C11H20O4 216.136154 NA HMDB2010 NA NA +MJ008993 1,3,8-Trihydroxy-7-methyl-2-methylene-4-nonanone C11H20O4 216.136159 NA MeJP NA NA +MJ008994 Dihydro-4-(hydroxymethyl)-3-(1-hydroxy-4-methylpentyl)-2(3H)-furanone C11H20O4 216.136159 NA MeJP NA NA +MJ008995 Dihydro-4-(hydroxymethyl)-3-(1-hydroxyhexyl)-2(3H)-furanone C11H20O4 216.136159 NA MeJP NA NA +MJ008996 Ficusolide C11H20O4 216.136159 NA MeJP NA NA +MJ008997 Homononactinic acid C11H20O4 216.136159 NA MeJP NA NA +MJ008998 Undecanedioic acid C11H20O4 216.136159 NA MeJP NA NA +MetaCyc02006 me-iP [6-(N-isopent-2-enyl-N-methylamino)-purine;] C12H16N4 216.137497 NA metacyc NA NA +MJ008999 2,5-Diaminopentanoic acid, N5-Tri-Me, N2-Ac C10H20N2O3 216.147392 NA MeJP NA NA +MJ009000 3,4-Diaminobutanoic acid, N4-Tri-Me, N3-propanoyl C10H20N2O3 216.147392 NA MeJP NA NA +PJ000047 VV C10H20N2O3 216.1474 NA PeJP NA NA +C16919 Atractylone C15H20O 216.1514 NA KEGG NA NA +C16959 Furanodiene C15H20O 216.1514 NA KEGG NA NA +MJ009001 1(10),3,11-Spirovetivatrien-2-one C15H20O 216.151415 NA MeJP NA NA +MJ009002 1(10),3-Aromadendradien-2-one C15H20O 216.151415 NA MeJP NA NA +MJ009003 1(10),8-Aristoladien-2-one C15H20O 216.151415 NA MeJP NA NA +MJ009004 1(5),6,9-Guaiatrien-8-one C15H20O 216.151415 NA MeJP NA NA +MJ009005 1,3,5,10-Bisabolatetraen-1-ol, 8,9-Didehydro (E-) C15H20O 216.151415 NA MeJP NA NA +MJ009006 1,3,5,10-Bisabolatetraen-12-ol, 12-Aldehyde C15H20O 216.151415 NA MeJP NA NA +MJ009007 1,3,5,10-Bisabolatetraen-15-al C15H20O 216.151415 NA MeJP NA NA +MJ009008 1,3,5,10-Bisabolatetraen-9-one C15H20O 216.151415 NA MeJP NA NA +MJ009009 1,3,5,11-Bisabolatetraen-10-one C15H20O 216.151415 NA MeJP NA NA +MJ009010 1,3,5,7(14),10-Farnesapentaen-12-ol, 12-Aldehyde C15H20O 216.151415 NA MeJP NA NA +MJ009011 1,3,7(11)-Eudesmatrien-8-one C15H20O 216.151415 NA MeJP NA NA +MJ009012 1,4(15),5,10(14)-Germacratetraen-9-one C15H20O 216.151415 NA MeJP NA NA +MJ009013 1,4(15)-Aromadendradien-3-one C15H20O 216.151415 NA MeJP NA NA +MJ009014 1,4,8,10-Pentadecatetraen-6-yn-3-ol C15H20O 216.151415 NA MeJP NA NA +MJ009015 13(11?10)-Abeo-2,7(14),11-chamigratrien-4-one C15H20O 216.151415 NA MeJP NA NA +MJ009016 13-Pentadecene-9,11-diyn-6-one C15H20O 216.151415 NA MeJP NA NA +MJ009017 2,9-Pentadecadiene-4,6-diyn-1-ol C15H20O 216.151415 NA MeJP NA NA +MJ009018 2-(2,6-Dimethyl-5,7-octadienyl)-4-methylfuran; 7,8-Didehydro C15H20O 216.151415 NA MeJP NA NA +MJ009019 3-(4,8-Dimethyl-1,4,6-nonatrienyl)furan C15H20O 216.151415 NA MeJP NA NA +MJ009020 3-(4,8-Dimethyl-2,4,6-nonatrienyl)furan C15H20O 216.151415 NA MeJP NA NA +MJ009021 3-(4,8-Dimethyl-3,6,8-nonatrienyl)furan C15H20O 216.151415 NA MeJP NA NA +MJ009022 3-Pentadecene-5,7-diyn-2-one C15H20O 216.151415 NA MeJP NA NA +MJ009023 4,11-Eudesmadien-3-one, 1,2-Didehydro C15H20O 216.151415 NA MeJP NA NA +MJ009024 4,8,11-Daucatrien-14-al C15H20O 216.151415 NA MeJP NA NA +MJ009025 5,7,11-Cineratrien-9-one C15H20O 216.151415 NA MeJP NA NA +MJ009026 6,11-Epoxy-5,10-pinguisadien-3-one; Deoxo, 4,15-didehydro C15H20O 216.151415 NA MeJP NA NA +MJ009027 7,13-Pentadecadiene-9,11-diyn-6-ol C15H20O 216.151415 NA MeJP NA NA +MJ009028 8,12-Epoxy-1(10),4,7,11-germacratetraene C15H20O 216.151415 NA MeJP NA NA +MJ009029 8,12-Epoxy-4,7,11-guaiatriene C15H20O 216.151415 NA MeJP NA NA +MJ009030 8-Pentadecene-11,13-diyn-2-one C15H20O 216.151415 NA MeJP NA NA +MJ009031 ?-Cuparenone C15H20O 216.151415 NA MeJP NA NA +MJ009032 Aplysin; Debromo C15H20O 216.151415 NA MeJP NA NA +MJ009033 Cinalbicol C15H20O 216.151415 NA MeJP NA NA +MJ009034 Curcumene ether C15H20O 216.151415 NA MeJP NA NA +MJ009035 Furanoeremophil-1(10)-ene C15H20O 216.151415 NA MeJP NA NA +MJ009036 Furanoeremophilane; 9,10-Didehydro C15H20O 216.151415 NA MeJP NA NA +MJ009037 Furodysin C15H20O 216.151415 NA MeJP NA NA +MJ009038 Herbacin C15H20O 216.151415 NA MeJP NA NA +MJ009039 Isogermafurene C15H20O 216.151415 NA MeJP NA NA +MJ009040 Jungianol C15H20O 216.151415 NA MeJP NA NA +MJ009041 Laevidiene C15H20O 216.151415 NA MeJP NA NA +MJ009042 Laurene; 15-Hydroxy C15H20O 216.151415 NA MeJP NA NA +MJ009043 Laurene; 7-Hydroxy C15H20O 216.151415 NA MeJP NA NA +MJ009044 Laurol C15H20O 216.151415 NA MeJP NA NA +MJ009045 Lindestrene; 1,2-Dihydro C15H20O 216.151415 NA MeJP NA NA +MJ009046 Mutisianthol C15H20O 216.151415 NA MeJP NA NA +MJ009047 Nakafuran 8 C15H20O 216.151415 NA MeJP NA NA +MJ009048 Nakafuran 9 C15H20O 216.151415 NA MeJP NA NA +MJ009049 Pallescensin B C15H20O 216.151415 NA MeJP NA NA +MJ009050 Parvifoline C15H20O 216.151415 NA MeJP NA NA +MJ009051 Penlanfuran C15H20O 216.151415 NA MeJP NA NA +MJ009052 Penlanpallescensin, 3,4-Didehydro C15H20O 216.151415 NA MeJP NA NA +MJ009053 Plagiochiline N C15H20O 216.151415 NA MeJP NA NA +MJ009054 Pleraplysillin 1 C15H20O 216.151415 NA MeJP NA NA +MJ009055 Solanascone; 2,3-Didehydro C15H20O 216.151415 NA MeJP NA NA +MJ009056 Verboccidentafuran C15H20O 216.151415 NA MeJP NA NA +MJ009057 ?-Calacorene; 3-Hydroxy C15H20O 216.151415 NA MeJP NA NA +MJ009058 ?-Calacorene; ?10,14-Isomer, 3-hydroxy C15H20O 216.151415 NA MeJP NA NA +MJ009059 ?-Cuparenone C15H20O 216.151415 NA MeJP NA NA +C08317 12-Hydroxydodecanoic acid C12H24O3 216.1725 NA KEGG NA NA +MJ009060 11-Hydroxydodecanoic acid C12H24O3 216.172544 NA MeJP NA NA +MJ009061 12-Hydroxydodecanoic acid C12H24O3 216.172544 NA MeJP NA NA +MJ009062 2-Hydroxydodecanoic acid C12H24O3 216.172544 NA MeJP NA NA +MJ009063 3-Hydroxydodecanoic acid C12H24O3 216.172544 NA MeJP NA NA +MJ009064 5-Isopropyl-3-nonene-2,8-diol, 3,4-Epoxide C12H24O3 216.172544 NA MeJP NA NA +MJ009065 9-Hydroxydodecanoic acid C12H24O3 216.172544 NA MeJP NA NA +MJ009066 Puulenal C12H24O3 216.172544 NA MeJP NA NA +HMDB00387 3-Hydroxydodecanoic acid C12H24O3 216.172546 NA HMDB2010 NA NA +HMDB02059 12-Hydroxydodecanoic acid C12H24O3 216.172546 NA HMDB2010 NA NA +HMDB10728 (R)-3-Hydroxydodecanoic acid C12H24O3 216.172546 NA HMDB2010 NA NA +HMDB00387 3-Hydroxydodecanoic acid C12H24O3 216.17255 http://www.hmdb.ca/metabolites/HMDB00387 HMDB NA NA +HMDB02059 12-Hydroxydodecanoic acid C12H24O3 216.17255 http://www.hmdb.ca/metabolites/HMDB02059 HMDB NA NA +HMDB00387 3-Hydroxydodecanoic acid C12H24O3 216.17255 HMDB00387 PFEM_hmdb_metabocards_official NA NA +HMDB02059 12-Hydroxydodecanoic acid C12H24O3 216.17255 HMDB02059 PFEM_hmdb_metabocards_official NA NA +MJ009067 2,5-Diaminopentanoic acid, N-Hexa-Me C11H25N2O2(+) 216.183778 NA MeJP NA NA +MJ009068 4,4'-Diaminodibutylamine; N1-(3-Aminopropyl) C11H28N4 216.231396 NA MeJP NA NA +MJ009069 Canavalmine C11H28N4 216.231396 NA MeJP NA NA +MJ009070 Thermospermine; N3-Me C11H28N4 216.231396 NA MeJP NA NA +HMDB03474 3,5-Diiodo-L-tyrosine C9H9I2NO3 216.433594 MH2+ Inhouse_peptide NA peptide +3126 fibronectin inhibitor RGDS 216.59045 MH2+ Inhouse_peptide NA peptide +HMDB00698 Lithocholic acid glycine conjugate C26H43NO4 216.659607 MH2+ Inhouse_peptide NA peptide +MJ009071 (3-Aminophenyl)arsonic acid C6H8AsNO3 216.972014 NA MeJP NA NA +MJ009072 (4-Aminophenyl)arsonic acid C6H8AsNO3 216.972014 NA MeJP NA NA +MJ009073 Brocresine C7H8BrNO2 216.973841 NA MeJP NA NA +C14229 Propanil C9H9Cl2NO 217.0061 NA KEGG NA NA +JH093 Hippuric acid [M+K]+ NA 217.0078 10.55 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH093 Hippuric acid [M+K]+ NA 217.0078 10.55 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH093 Hippuric acid [M+K]+ NA 217.0078 10.55 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH093 Hippuric acid [M+K]+ NA 217.0078 10.55 Inhousejuil11 NA NA +MJ009074 [(4-Nitrophenyl)methyl]phosphonic acid C7H8NO5P 217.014008 NA MeJP NA NA +MJ009075 7-Chlorocavernicolenone C8H8ClNO4 217.014185 NA MeJP NA NA +CJneg0390 Hippuric acid [(M+Cl)]- (37Cl) C9H9Cl037ClNO3 217.032525 C18rt(min)=5.87 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0390 Hippuric acid [(M+Cl)]- (37Cl) C9H9Cl037ClNO3 217.032525 C18rt(min)=5.87 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0565 ?-hydroxyhippuric acid [(M+Na)]+ C9H9NNaO4 217.034575 C18rt(min)=5.18 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0566 p-Hydroxyhippuric acid [(M+Na)]+ C9H9NNaO4 217.034575 C18rt(min)=4.85 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0565 ?-hydroxyhippuric acid [(M+Na)]+ C9H9NNaO4 217.034575 C18rt(min)=5.18 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0566 p-Hydroxyhippuric acid [(M+Na)]+ C9H9NNaO4 217.034575 C18rt(min)=4.85 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ009076 3-Amino-1,4-naphthoquinone-2-carboxylic acid C11H7NO4 217.037507 NA MeJP NA NA +MJ009077 3-Hydroxy-1,4-naphthoquinone-2-carboxylic acid; Amide C11H7NO4 217.037507 NA MeJP NA NA +HMDB06409 Tyramine-O-sulfate C8H11NO4S 217.040878 NA HMDB2010 NA NA +HMDB06409 Tyramine O-sulfate C8H11NO4S 217.04088 http://www.hmdb.ca/metabolites/HMDB06409 HMDB NA NA +HMDB06409 Tyramine O-sulfate C8H11NO4S 217.04088 HMDB06409 PFEM_hmdb_metabocards_official NA NA +MJ009078 Flurofamide C7H9FN3O2P 217.041641 NA MeJP NA NA +CJneg0391 Hexose [(M+Cl)]- (13C) C513CH12ClO6 217.043925 C18rt(min)=0.92 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0391 Hexose [(M+Cl)]- (13C) C513CH12ClO6 217.043925 C18rt(min)=0.92 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ009079 ?-Amino-5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinepropanoic acid C7H8FN3O4 217.049883 NA MeJP NA NA +CJneg0392 Tyrosine isomer [(M+Cl)]- C9H11ClNO3 217.051125 C18rt(min)=6.02 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0392 Tyrosine isomer [(M+Cl)]- C9H11ClNO3 217.051125 C18rt(min)=6.02 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ009080 2-Quinolinemethanethiol; S-Ac C12H11NOS 217.056134 NA MeJP NA NA +C04690 2-(Hydroxymethyl)-3-(acetamidomethylene)succinate C8H11NO6 217.0586 NA KEGG NA NA +MJ009081 2,4,5-Piperidinetricarboxylic acid C8H11NO6 217.058637 NA MeJP NA NA +MJ009082 Lycoperdic acid C8H11NO6 217.058637 NA MeJP NA NA +MetaCyc02007 2-(hydroxymethyl)-3-(acetamidomethylene)succinate [2-(acetamidomethylene)-3-(hydroxymethyl)succinate;] C8H11N1O6 217.058637 NA metacyc NA NA +MetaCyc02008 2-(acetamidomethylene)-3-(hydroxymethyl)succinate [2-(hydroxymethyl)-3-(acetamidomethylene)succinate;] C8H11N1O6 217.058637 NA metacyc NA NA +EUR283 Neopterine F4 F4 217.063275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR283 Neopterine F4 NA 217.063275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR283 Neopterine F4 F4 217.063275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR283 Neopterine F4 NA 217.063275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR283 Neopterine F4 F4 217.063275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR283 Neopterine F4 NA 217.063275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR283 Neopterine F4 F4 217.063275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR283 Neopterine F4 F4 217.063275 standards wishlist analysés sur QTOF HMDB NA NA +EUR283 Neopterine F4 F4 217.063275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR283 Neopterine F4 NA 217.063275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR283 Neopterine F4 F4 217.063275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR283 Neopterine F4 F4 217.063275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ009083 Tinazoline C11H11N3S 217.067368 NA MeJP NA NA +MJ009084 Thrazarine C7H11N3O5 217.06987 NA MeJP NA NA +MJ009085 3-Methylindolepyruvate C12H11NO3 217.073893 NA MeJP NA NA +MJ009086 2-Hydroxy-4-quinolinecarboxylic acid; Et ester C12H11NO3 217.073893 NA MeJP NA NA +MJ009087 7-Methoxy-1,6-dimethyl-5,8-isoquinolinedione C12H11NO3 217.073893 NA MeJP NA NA +MJ009088 Antibiotic S 12792B C12H11NO3 217.073893 NA MeJP NA NA +C03914 (S)-beta-Methylindolepyruvate C12H11NO3 217.0739 NA KEGG NA NA +C05644 3-Methylindolepyruvate C12H11NO3 217.0739 NA KEGG NA NA +MJ009089 Acidomycin C9H15NO3S 217.077264 NA MeJP NA NA +MJ009090 Captopril C9H15NO3S 217.077264 NA MeJP NA NA +MetaCyc02009 acidomycin [] C9H15N1O3S1 217.077264 NA metacyc NA NA +MJ009091 Mivazerol C11H11N3O2 217.085126 NA MeJP NA NA +MJ009092 Piroximone C11H11N3O2 217.085126 NA MeJP NA NA +MJ009093 1-Isothiocyanato-8-(methylthio)octane C10H19NS2 217.09589 NA MeJP NA NA +MJ009094 1,4-Dihydro-4,6,7-trimethyl-9H-imidazo[1,2-a]purin-9-one C10H11N5O 217.096359 NA MeJP NA NA +MJ009095 Sampirtine C12H12FN3 217.101525 NA MeJP NA NA +3199 chymotrypsin inhibitor PGVY 217.102 MH2+ Inhouse_peptide NA peptide +JH145 Alanyl glutamine C8H15N3O4 217.1059 Rtobs1.12 PFEM_hmdb_metabocards_urine NA urine +JH145 Alanyl glutamine [M+H]+ C8H15N3O4 217.1059 1.12 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH145 Alanyl glutamine C8H15N3O4 217.1059 Rtobs1.12 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH145 Alanyl glutamine [M+H]+ C8H15N3O4 217.1059 1.12 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH145 Alanyl glutamine C8H15N3O4 217.1059 Rtobs1.12 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH145 Alanyl glutamine [M+H]+ C8H15N3O4 217.1059 1.12 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH145 Alanyl glutamine C8H15N3O4 217.1059 Rtobs1.12 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH145 Alanyl glutamine C8H15N3O4 217.1059 Rtobs1.12 HMDB NA NA +JH145 Alanyl glutamine C8H15N3O4 217.1059 Rtobs1.12 Inhouse_PFEM NA NA +JH145 Alanyl glutamine [M+H]+ C8H15N3O4 217.1059 1.12 Inhousejuil11 NA NA +JH145 Alanyl glutamine C8H15N3O4 217.1059 Rtobs1.12 PFEM_hmdb_metabocards_blood NA blood +JH145 Alanyl glutamine C8H15N3O4 217.1059 Rtobs1.12 PFEM_hmdb_metabocards_official NA NA +MJ009096 Pantocin B; De(methylsulfonyl) C8H15N3O4 217.106255 NA MeJP NA NA +MetaCyc02010 N-acetyl-L-citrulline [acetyl-citrulline;] C8H15N3O4 217.106256 NA metacyc NA NA +HMDB00856 N-a-Acetylcitrulline C8H15N3O4 217.10626 http://www.hmdb.ca/metabolites/HMDB00856 HMDB NA NA +HMDB00856 N-a-Acetylcitrulline C8H15N3O4 217.10626 HMDB00856 PFEM_hmdb_metabocards_official NA NA +HMDB00856 N-a-Acetylcitrulline C8H15N3O4 217.106262 NA HMDB2010 NA NA +C15532 N-Acetyl-L-citrulline C8H15N3O4 217.1063 NA KEGG NA NA +PJ000048 AQ C8H15N3O4 217.1063 NA PeJP NA NA +3535 ACE inhibitor YPR 217.108 MH2+ Inhouse_peptide NA peptide +3536 ACE inhibitor PRY 217.108 MH2+ Inhouse_peptide NA peptide +MJ009097 4-Ethyl-3-methyl-3-phenyl-2,5-pyrrolidinedione C13H15NO2 217.110278 NA MeJP NA NA +MJ009098 6,8-Dimethoxy-1,3-dimethylisoquinoline C13H15NO2 217.110278 NA MeJP NA NA +MJ009099 7-(3-Methyl-2-butenyl)-1H-indole; 1'-Hydroxy, 3',4'-epoxide C13H15NO2 217.110278 NA MeJP NA NA +MJ009100 Allosecurinine C13H15NO2 217.110278 NA MeJP NA NA +MJ009101 Glutethimide C13H15NO2 217.110278 NA MeJP NA NA +MJ009102 Hexahydro-1H-furo[3,4-c]pyrrole; N-Benzoyl C13H15NO2 217.110278 NA MeJP NA NA +MJ009103 Methastyridone C13H15NO2 217.110278 NA MeJP NA NA +MJ009104 Securinegine C13H15NO2 217.110278 NA MeJP NA NA +MJ009105 Securinine C13H15NO2 217.110278 NA MeJP NA NA +C07489 Glutethimide C13H15NO2 217.1103 NA KEGG NA NA +C10614 Securinine C13H15NO2 217.1103 NA KEGG NA NA +MJ009106 Gigartinine C7H15N5O3 217.117489 NA MeJP NA NA +MJ009107 Noramidopyrine C12H15N3O 217.121512 NA MeJP NA NA +MJ009108 Tambjamine A; 1''-N-Et C12H15N3O 217.121512 NA MeJP NA NA +CJpos0567 Propionylcarnitine [(M+H)]+ C10H20NO4 217.130875 C18rt(min)=3.34 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0568 Propionylcarnitine isomer [(M+H)]+ C10H20NO4 217.130875 C18rt(min)=4.65 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0567 Propionylcarnitine [(M+H)]+ C10H20NO4 217.130875 C18rt(min)=3.34 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0568 Propionylcarnitine isomer [(M+H)]+ C10H20NO4 217.130875 C18rt(min)=4.65 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +3174 dipeptidyl-aminopeptidase IV inhibitor KA 217.131 celiac toxic Inhouse_peptide NA peptide +7743 ACE inhibitor KA 217.131 antioxidative Inhouse_peptide NA peptide +C03017 O-Propanoylcarnitine C10H19NO4 217.1314 NA KEGG NA NA +C03018 Oligoglycosylglucose OH 217.1314 NA KEGG NA NA +MJ009109 4-Amino-2,4,6-trideoxy-3-O-methyl-xylo-hexose; ?-D-Pyranose-form, Me glycoside, N-Ac C10H19NO4 217.131408 NA MeJP NA NA +MJ009110 4-Amino-2,4,6-trideoxy-3-O-methyl-xylo-hexose; ?-D-Pyranose-form, Me glycoside, N-Ac C10H19NO4 217.131408 NA MeJP NA NA +MJ009111 Carnitine, O-Propanoyl C10H20NO4(+) 217.131408 NA MeJP NA NA +HMDB00824 Propionylcarnitine C10H19NO4 217.131409 NA HMDB2010 NA NA +HMDB00824 Propionylcarnitine C10H19NO4 217.13141 http://www.hmdb.ca/metabolites/HMDB00824 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00824 Propionylcarnitine C10H19NO4 217.13141 http://www.hmdb.ca/metabolites/HMDB00824 HMDB NA NA +HMDB00824 Propionylcarnitine C10H19NO4 217.13141 NA ;SYN:L-b-Aminoisobutyric acid; L-3-Amino-2-methylpropionic acid; L-3-Amino-2-methylpropanoic acid; L-2-methyl-b-Alanine; (S)-b-Aminoisobutyric acid; (S)-3-amino-2-methyl-Propanoic acid; (+)-b-Aminoisobutyric acid; (+)-a-Methyl-b-alanine; S-b-aminoisobutyrate; S-beta-aminoisobutyrate; S-beta-aminoisobutyric acid; L-beta-Aminoisobutyric acid; L-2-methyl-beta-Alanine; (S)-beta-Aminoisobutyric acid; (+)-beta-Aminoisobutyric acid; (+)-alpha-Methyl-beta-alanine; L-beta-aminoisobutyrate; L-b-aminoisobutyrate; L-3-Amino-isobutanoate; (S)-3-Amino-isobutyrate; L-3-Amino-isobutyrate; (S)-3-Amino-isobutanoate; (S)-3-Amino-2-methylpropanoate; L-3-Amino-isobutanoic acid; (S)-3-Amino-isobutyric acid; L-3-Amino-isobutyric acid; (S)-3-Amino-isobutanoic acid; (S)-3-Amino-2-methylpropanoic acid; L-3-Amino-2-methylpropanoate; (S)-3-amino-2-methyl-PropanoateH2Blood; Urine Inhouse_peptide NA peptide +HMDB00824 Propionylcarnitine C10H19NO4 217.13141 http://www.hmdb.ca/metabolites/HMDB00824 PFEM_hmdb_metabocards_blood NA blood +HMDB00824 Propionylcarnitine C10H19NO4 217.13141 HMDB00824 PFEM_hmdb_metabocards_official NA NA +MJ009112 Zindotrine C11H15N5 217.132745 NA MeJP NA NA +C05341 beta-Alanyl-L-lysine C9H19N3O3 217.1426 NA KEGG NA NA +C15699 gamma-L-Glutamylputrescine C9H19N3O3 217.1426 NA KEGG NA NA +HMDB12230 Gamma-glutamyl-L-putrescine C9H19N3O3 217.142639 NA HMDB2010 NA NA +MJ009113 beta-Alanyl-L-lysine C9H19N3O3 217.142641 NA MeJP NA NA +PJ000049 AK C9H19N3O3 217.1427 NA PeJP NA NA +MJ009114 2-Decene-6,8-diynoic acid, 2-Methylpropamide C14H19NO 217.146664 NA MeJP NA NA +MJ009115 Sedamine, 2'-Ketone C14H19NO 217.146664 NA MeJP NA NA +MJ009116 Thalebanin B C14H19NO 217.146664 NA MeJP NA NA +C14323 Butylate C11H23NOS 217.15 NA KEGG NA NA +HMDB11150 Deoxyhypusine C10H23N3O2 217.179031 NA HMDB2010 NA NA +MJ009117 1-Methyl-4-(2-penten-4-ynyl)quinolizidine C15H23N 217.183049 NA MeJP NA NA +MJ009118 2-Pentylquinoline; 1,2,3,4-Tetrahydro, N-Me C15H23N 217.183049 NA MeJP NA NA +MJ009119 Porantherine C15H23N 217.183049 NA MeJP NA NA +MJ009120 Prolintane C15H23N 217.183049 NA MeJP NA NA +MJ009121 1-Chloro-3-iodo-2-propanone C3H4ClIO 217.899535 NA MeJP NA NA +MJ009122 Delta-3,4,5,6-tetrachlorocyclohexene C6H6Cl4 217.922361 NA MeJP NA NA +C06989 delta-3,4,5,6-Tetrachlorocyclohexene C6H6Cl4 217.9224 NA KEGG NA NA +MJ009123 Bis[(methylthio)methyl] disulfide; 2,2-Dioxide C4H10O2S4 217.956362 NA MeJP NA NA +MJ009124 Bis[(methylthio)methyl] disulfide; 4,4-Dioxide C4H10O2S4 217.956362 NA MeJP NA NA +MJ009125 3-Bromo-4,5-dihydroxybenzyl alcohol C7H7BrO3 217.957856 NA MeJP NA NA +MJ009126 Mercury(II) oxide (HgO) HgO 217.96554 NA MeJP NA NA +MJ009127 5-(2-Thienylethynyl)-2-thiophenemethanol; Aldehyde C11H6OS2 217.986006 NA MeJP NA NA +C16199 5-Sulfosalicylate C7H6O6S 217.9885 NA KEGG NA NA +MJ009128 2-Hydroxy-5-sulfobenzoic acid C7H6O6S 217.988508 NA MeJP NA NA +MJ009129 Salicylsulfuric acid C7H6O6S 217.988508 NA MeJP NA NA +HMDB11725 5-Sulfosalicylic acid C7H6O6S 217.98851 NA HMDB2010 NA NA +CJneg0393 5-Sulfosalicylic acid [(M-H)]- C7H5O6S 217.989025 C18rt(min)=5.28 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0394 Sulfosalicylic acid isomer [(M-H)]- C7H5O6S 217.989025 C18rt(min)=4.8 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0393 5-Sulfosalicylic acid [(M-H)]- C7H5O6S 217.989025 C18rt(min)=5.28 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0394 Sulfosalicylic acid isomer [(M-H)]- C7H5O6S 217.989025 C18rt(min)=4.8 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ009130 2-(Phosphonooxy)benzoic acid C7H7O6P 217.998024 NA MeJP NA NA +C15237 8-Hydroxy-2-chlorodibenzofuran C12H7ClO2 218.0135 NA KEGG NA NA +C15241 8-Hydroxy-3-chlorodibenzofuran C12H7ClO2 218.0135 NA KEGG NA NA +CJpos0569 Hexose [(M+K)]+ C6H12KO6 218.018675 C18rt(min)=0.92 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0569 Hexose [(M+K)]+ C6H12KO6 218.018675 C18rt(min)=0.92 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C14569 4,4'-Biphenyldithiol C12H10S2 218.0224 NA KEGG NA NA +MJ009131 Allantoin, Dihydroxyaluminium compd. C4H7AlN4O5 218.023182 NA MeJP NA NA +MJ009132 3-(5-Oxazolyl)-1H-indole; 4'-Chloro C11H7ClN2O 218.02469 NA MeJP NA NA +CJneg0395 Hydroxyphenyllactic acid [(M+Cl)]- C9H10ClO4 218.035125 C18rt(min)=5.22 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0395 Hydroxyphenyllactic acid [(M+Cl)]- C9H10ClO4 218.035125 C18rt(min)=5.22 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0396 Hexose [(M+Cl)]- (37Cl) C6H12Cl037ClO6 218.037625 C18rt(min)=0.92 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0396 Hexose [(M+Cl)]- (37Cl) C6H12Cl037ClO6 218.037625 C18rt(min)=0.92 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJpos0570 p-Hydroxyhippuric acid [(M+Na)]+ (13C) C813CH9NNaO4 218.037875 C18rt(min)=4.85 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0570 p-Hydroxyhippuric acid [(M+Na)]+ (13C) C813CH9NNaO4 218.037875 C18rt(min)=4.85 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0571 Gluconic acid (and isomers) [(M+Na)]+ C6H12NaO7 218.039675 C18rt(min)=0.88 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0571 Gluconic acid (and isomers) [(M+Na)]+ C6H12NaO7 218.039675 C18rt(min)=0.88 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MetaCyc02011 cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene [] C12H10O2S1 218.04015 NA metacyc NA NA +C06721 cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene C12H10O2S 218.0402 NA KEGG NA NA +C14672 p-Chlorobenzhydrol C13H11ClO 218.0498 NA KEGG NA NA +C15393 2-Chlorobenzhydrol C13H11ClO 218.0498 NA KEGG NA NA +MJ009133 1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol C13H11ClO 218.049842 NA MeJP NA NA +MJ009134 2-Benzyl-4-chlorophenol C13H11ClO 218.049842 NA MeJP NA NA +MJ009135 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol C13H11ClO 218.049842 NA MeJP NA NA +MJ009136 2-Chloromethyl-2,5-dihydro-5-(2,4,6-octatriynylidene)furan, 6',7'-E-Dihydro C13H11ClO 218.049842 NA MeJP NA NA +MJ009137 4-Benzyl-2-chlorophenol C13H11ClO 218.049842 NA MeJP NA NA +MJ009138 3-(Isothiocyanatomethyl)-1-methoxy-1H-indole C11H10N2OS 218.051383 NA MeJP NA NA +MJ009139 Bentiuracil C11H10N2OS 218.051383 NA MeJP NA NA +MJ009140 Hydantocidin C7H10N2O6 218.053886 NA MeJP NA NA +JH131 Hydroferulic acid [M+Na]+ NA 218.0555 12.75 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH131 Hydroferulic acid [M+Na]+ NA 218.0555 12.75 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH131 Hydroferulic acid [M+Na]+ NA 218.0555 12.75 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH131 Hydroferulic acid [M+Na]+ NA 218.0555 12.75 Inhousejuil11 NA NA +CJneg0397 Mannitol (and isomers) [(M+Cl)]- C6H14ClO6 218.056225 C18rt(min)=0.85 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0397 Mannitol (and isomers) [(M+Cl)]- C6H14ClO6 218.056225 C18rt(min)=0.85 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C01273 2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoate C12H10O4 218.0579 NA KEGG NA NA +C03837 4-Methylumbelliferyl acetate C12H10O4 218.0579 NA KEGG NA NA +C07733 2,2',3-Trihydroxydiphenylether C12H10O4 218.0579 NA KEGG NA NA +C10300 Aristolindiquinone C12H10O4 218.0579 NA KEGG NA NA +C16811 Baldrinal C12H10O4 218.0579 NA KEGG NA NA +MJ009141 2,2',3-Trihydroxydiphenylether C12H10O4 218.057908 NA MeJP NA NA +MJ009142 2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoate C12H10O4 218.057908 NA MeJP NA NA +MJ009143 1,4-Dihydroxy-2-naphthalenecarboxylic acid; 4-Me ether C12H10O4 218.057908 NA MeJP NA NA +MJ009144 1,4-Dihydroxy-2-naphthalenecarboxylic acid; Me ester C12H10O4 218.057908 NA MeJP NA NA +MJ009145 2,3',4,4'-Biphenyltetrol C12H10O4 218.057908 NA MeJP NA NA +MJ009146 2,3-Dihydroxy-1,4-naphthoquinone; Di-Me ether C12H10O4 218.057908 NA MeJP NA NA +MJ009147 2,5-Diacetyl-6-hydroxybenzofuran C12H10O4 218.057908 NA MeJP NA NA +MJ009148 2,5-Dihydroxy-3,8-dimethyl-1,4-naphthoquinone C12H10O4 218.057908 NA MeJP NA NA +MJ009149 2,5-Dihydroxy-7-methyl-1,4-naphthoquinone; 2-Me ether C12H10O4 218.057908 NA MeJP NA NA +MJ009150 2,8-Decadiene-4,6-diynedioic acid, Di-Me ester C12H10O4 218.057908 NA MeJP NA NA +MJ009151 2,8-Dihydroxy-6-methyl-1,4-naphthoquinone; 2-Me ether C12H10O4 218.057908 NA MeJP NA NA +MJ009152 3,5-Dihydroxy-2-methyl-1,4-naphthoquinone; 5-Me ether C12H10O4 218.057908 NA MeJP NA NA +MJ009153 4,5-Dihydro-5-methyl-4-oxo-5-phenyl-2-furancarboxylic acid C12H10O4 218.057908 NA MeJP NA NA +MJ009154 4,5-Dihydroxy-2-naphthalenecarboxylic acid; 4-Me ether C12H10O4 218.057908 NA MeJP NA NA +MJ009155 4,5-Dihydroxy-2-naphthalenecarboxylic acid; 5-Me ether C12H10O4 218.057908 NA MeJP NA NA +MJ009156 5,6-Dihydroxy-2-methyl-1,4-naphthoquinone; 5-Me ether C12H10O4 218.057908 NA MeJP NA NA +MJ009157 5,7-Dihydroxy-2H-1-benzopyran-2-one; 5-O-(2-Propenyl) C12H10O4 218.057908 NA MeJP NA NA +MJ009158 5,8-Dihydroxy-2,7-dimethyl-1,4-naphthoquinone C12H10O4 218.057908 NA MeJP NA NA +MJ009159 5-(3,4-Methylenedioxyphenyl)-2,4-pentadienoic acid C12H10O4 218.057908 NA MeJP NA NA +MJ009160 6,8-Dihydroxy-5-methyl-1,4-naphthoquinone; 6-Me ether C12H10O4 218.057908 NA MeJP NA NA +MJ009161 6-Acetyl-5-hydroxy-4-methyl-2H-1-benzopyran-2-one C12H10O4 218.057908 NA MeJP NA NA +MJ009162 6-Ethyl-2,5-dihydroxy-1,4-naphthoquinone C12H10O4 218.057908 NA MeJP NA NA +MJ009163 7-Hydroxy-4-methyl-2H-1-benzopyran-2-one; Ac C12H10O4 218.057908 NA MeJP NA NA +MJ009164 Kiyomal C12H10O4 218.057908 NA MeJP NA NA +MJ009165 Viburtinal; 11-Acetoxy C12H10O4 218.057908 NA MeJP NA NA +MetaCyc02012 2-hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate [HOHPDA;2-hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoic acid;] C12H10O4 218.057909 NA metacyc NA NA +MetaCyc02013 4,4a-dihydroxy-dihydro-dibenzo-p-dioxin [] C12H10O4 218.057909 NA metacyc NA NA +MetaCyc02014 2,2',3-trihydroxydiphenyl-ether [2,2',3-THD-ether;] C12H10O4 218.057909 NA metacyc NA NA +MetaCyc02015 2,6-dioxo-6-phenylhexa-3-enoate [2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate;] C12H10O4 218.057909 NA metacyc NA NA +MetaCyc02016 4-methylumbelliferyl acetate [] C12H10O4 218.057909 05/09/2747 metacyc NA NA +MJ009166 Metallibure C7H14N4S2 218.065987 NA MeJP NA NA +MJ009167 2-(4-Hydroxy-3-methoxybenzoyl)imidazole C11H10N2O3 218.069142 NA MeJP NA NA +MJ009168 5-Methyl-5-phenylbarbituric acid C11H10N2O3 218.069142 NA MeJP NA NA +MJ009169 Mimosamycin; 7-Demethoxy, 7-amino C11H10N2O3 218.069142 NA MeJP NA NA +MJ009170 Vasicinone, 7-Hydroxy C11H10N2O3 218.069142 NA MeJP NA NA +MJ009171 Vasicinone, N4-Oxide C11H10N2O3 218.069142 NA MeJP NA NA +PJ000050 PC C8H14N2O3S 218.0725 NA PeJP NA NA +C14519 1-Hydroxypyrene C16H10O 218.0732 NA KEGG NA NA +MJ009172 9-(2-Thienyl)-4,6-nonadien-8-yn-1-ol C13H14OS 218.076535 NA MeJP NA NA +MJ009173 9-(2-Thienyl)-6-nonen-8-yn-3-one C13H14OS 218.076535 NA MeJP NA NA +7623 ACE inhibitor EA 218.079 antioxidative Inhouse_peptide NA peptide +MJ009174 3,4,5,6-Tetrahydroxy-1-cyclohexene-1-carboxylic acid, 6-Me ether, Me ester C9H14O6 218.079038 NA MeJP NA NA +MJ009175 5-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1'-Ac C9H14O6 218.079038 NA MeJP NA NA +MJ009176 Aldgarose C9H14O6 218.079038 NA MeJP NA NA +MJ009177 Altenin C9H14O6 218.079038 NA MeJP NA NA +MJ009178 Glycerol triacetate C9H14O6 218.079038 NA MeJP NA NA +MJ009179 Riburonic acid; ?-D-Furanose-form, 2,3-O-Isopropylidene, Me ester C9H14O6 218.079038 NA MeJP NA NA +MJ009180 Riburonic acid; ?-D-Furanose-form, Me glycoside, 2,3-O-isopropylidene C9H14O6 218.079038 NA MeJP NA NA +MJ009181 Riburonic acid; ?-D-Furanose-form, 1,2-O-Isopropylidene, Me ester C9H14O6 218.079038 NA MeJP NA NA +MJ009182 10H-Indolo[3,2-b]quinoline C15H10N2 218.084398 NA MeJP NA NA +MJ009183 Indolo[2,3-a]quinolizine C15H10N2 218.084398 NA MeJP NA NA +HMDB03764 Glutamylalanine C8H14N2O5 218.09027 http://www.hmdb.ca/metabolites/HMDB03764 HMDB NA NA +HMDB06248 5-L-Glutamyl-L-alanine C8H14N2O5 218.09027 http://www.hmdb.ca/metabolites/HMDB06248 HMDB NA NA +HMDB03764 Glutamylalanine C8H14N2O5 218.09027 HMDB03764 PFEM_hmdb_metabocards_official NA NA +HMDB06248 5-L-Glutamyl-L-alanine C8H14N2O5 218.09027 HMDB06248 PFEM_hmdb_metabocards_official NA NA +HMDB03764 Glutamylalanine C8H14N2O5 218.090271 NA HMDB2010 NA NA +HMDB06248 5-L-Glutamyl-L-alanine C8H14N2O5 218.090271 NA HMDB2010 NA NA +MJ009184 6-Amino-4,5-dihydroxy-3-piperidinecarboxylic acid, N-Ac C8H14N2O5 218.090271 NA MeJP NA NA +MJ009185 Heliopine C8H14N2O5 218.090271 NA MeJP NA NA +MJ009186 N-?-Glutamyl-?-alanine C8H14N2O5 218.090271 NA MeJP NA NA +MJ009187 N-?-Glutamylalanine C8H14N2O5 218.090271 NA MeJP NA NA +MJ009188 ?-Glutamylalanine; L-D-form C8H14N2O5 218.090271 NA MeJP NA NA +MetaCyc02017 L-Ala-γ-D-Glu [] C8H14N2O5 218.090272 NA metacyc NA NA +MetaCyc02018 γ-L-glutamyl-D-alanine [] C8H14N2O5 218.090272 NA metacyc NA NA +C03738 gamma-L-Glutamyl-D-alanine C8H14N2O5 218.0903 NA KEGG NA NA +PJ000051 AE C8H14N2O5 218.0903 NA PeJP NA NA +MJ009189 (5,7,8,9-Tetrahydro-5-hydroxy-6H-benzocyclohepten-6-ylidene)acetic acid C13H14O3 218.094294 NA MeJP NA NA +MJ009190 1,2,3-Naphthalenetriol; Tri-Me ether C13H14O3 218.094294 NA MeJP NA NA +MJ009191 1,2,4-Naphthalenetriol; Tri-Me ether C13H14O3 218.094294 NA MeJP NA NA +MJ009192 1,3,6-Naphthalenetriol; Tri-Me ether C13H14O3 218.094294 NA MeJP NA NA +MJ009193 1-(2,4-Dihydroxy-3-methylphenyl)-2,4-hexadien-1-one C13H14O3 218.094294 NA MeJP NA NA +MJ009194 1-Butylidene-8-hydroxy-1H-2-benzopyran-4-one C13H14O3 218.094294 NA MeJP NA NA +MJ009195 2,2-Dimethyl-2H-1-benzopyran-6-carboxylic acid; Me ester C13H14O3 218.094294 NA MeJP NA NA +MJ009196 2,3-Dihydro-2-(1,3-pentadienyl)-5,7-benzofurandiol C13H14O3 218.094294 NA MeJP NA NA +MJ009197 2,3-Dihydro-4,6-dihydroxy-2-(1,3-pentadienyl)benzofuran C13H14O3 218.094294 NA MeJP NA NA +MJ009198 2-Methyl-1,4,5-naphthalenetriol; 1,5-Di-Me ether C13H14O3 218.094294 NA MeJP NA NA +MJ009199 3-Hydroxy-7-phenyl-4,6-heptadienic acid C13H14O3 218.094294 NA MeJP NA NA +MJ009200 5,6-Dimethoxy-2-(1-methylethenyl)benzofuran C13H14O3 218.094294 NA MeJP NA NA +MJ009201 5,7-Dimethoxy-2-(1-methylethenyl)benzofuran C13H14O3 218.094294 NA MeJP NA NA +MJ009202 5-(1-Hydroxyethyl)-2-(1-methylethylidene)-3(2H)-benzofuranone C13H14O3 218.094294 NA MeJP NA NA +MJ009203 5-Acetyl-2,3-dihydro-7-hydroxy-2-isopropenylbenzofuran C13H14O3 218.094294 NA MeJP NA NA +MJ009204 5-Acetyl-2-(1-hydroxy-1-methylethyl)benzofuran C13H14O3 218.094294 NA MeJP NA NA +MJ009205 5-Acetyl-2-hydroxybenzaldehyde; O-(2-Methyl-1-propenyl) C13H14O3 218.094294 NA MeJP NA NA +MJ009206 6-(Hydroxyacetyl)-2,2-dimethyl-2H-benzopyran C13H14O3 218.094294 NA MeJP NA NA +MJ009207 6-Acetyl-2,3-dihydro-2,2-dimethyl-4H-1-benzopyran-4-one C13H14O3 218.094294 NA MeJP NA NA +MJ009208 6-Acetyl-5-hydroxy-2,2-dimethyl-2H-1-benzopyran C13H14O3 218.094294 NA MeJP NA NA +MJ009209 6-Acetyl-7-hydroxy-2,2-dimethyl-2H-1-benzopyran C13H14O3 218.094294 NA MeJP NA NA +MJ009210 6-Acetyl-8-hydroxy-2,2-dimethyl-2H-1-benzopyran C13H14O3 218.094294 NA MeJP NA NA +MJ009211 6-Hydroxy-7,8-tridecadiene-10,12-diynoic acid C13H14O3 218.094294 NA MeJP NA NA +MJ009212 6-Hydroxytremetone C13H14O3 218.094294 NA MeJP NA NA +MJ009213 6-Methyl-1,2,8-naphthalenetriol; 1,8-Di-Me ether C13H14O3 218.094294 NA MeJP NA NA +MJ009214 7-Acetyl-8-hydroxy-2,2-dimethyl-2H-1-benzopyran C13H14O3 218.094294 NA MeJP NA NA +MJ009215 7-Hydroxy-3,4-dimethyl-2H-1-benzopyran-2-one; Et ether C13H14O3 218.094294 NA MeJP NA NA +MJ009216 7-Hydroxy-4-isopropyl-6-methylcoumarin C13H14O3 218.094294 NA MeJP NA NA +MJ009217 Artemisenol C13H14O3 218.094294 NA MeJP NA NA +MJ009218 Artemispermal C13H14O3 218.094294 NA MeJP NA NA +MJ009219 Bitalin A C13H14O3 218.094294 NA MeJP NA NA +MJ009220 Frustulosin; 1'-Alcohol, 6-Me ether C13H14O3 218.094294 NA MeJP NA NA +MJ009221 Toxol C13H14O3 218.094294 NA MeJP NA NA +MJ009222 Tremetone, 4-Hydroxy C13H14O3 218.094294 NA MeJP NA NA +C08744 6-Hydroxytremetone C13H14O3 218.0943 NA KEGG NA NA +C08979 Toxol C13H14O3 218.0943 NA KEGG NA NA +C09006 Eupatoriochromene C13H14O3 218.0943 NA KEGG NA NA +C17228 2-Oxo-9-methylthiononanoic acid C10H18O3S 218.0977 NA KEGG NA NA +MJ009223 Lividine C7H14N4O4 218.101504 NA MeJP NA NA +MetaCyc02019 trans-zeatin [zeatin;cytokinin;(2E)-2-methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol;t-zeatin;] C10H12N5O1 218.104185 NA metacyc NA NA +CJpos0572 Phenylacetylglutamine [(M+H)-(HCOOH)]+ C12H15N2O2 218.104975 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0572 Phenylacetylglutamine [(M+H)-(HCOOH)]+ C12H15N2O2 218.104975 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +C00978 N-Acetylserotonin C12H14N2O2 218.1055 NA KEGG NA NA +C02983 Abrine C12H14N2O2 218.1055 NA KEGG NA NA +C02984 L-Aspartyl-tRNA(Asp) C14H22NO13PR2 218.1055 NA KEGG NA NA +C07371 Primidone C12H14N2O2 218.1055 NA KEGG NA NA +C16831 L-2-Methyltryptophan C12H14N2O2 218.1055 NA KEGG NA NA +C16832 Protein N6-(dihydrolipoyl)lysine C8H16NOS2R 218.1055 NA KEGG NA NA +MJ009224 N-Acetylserotonin C12H14N2O2 218.105527 NA MeJP NA NA +MJ009225 1H-Benzimidazole-2-propanoic acid; Et ester C12H14N2O2 218.105527 NA MeJP NA NA +MJ009226 2-Amino-3-(3-amino-1H-inden-2-yl)propanoic acid C12H14N2O2 218.105527 NA MeJP NA NA +MJ009227 2-Amino-3-(3-indolyl)butanoic acid C12H14N2O2 218.105527 NA MeJP NA NA +MJ009228 3-Benzyl-6-methyl-2,5-piperazinedione C12H14N2O2 218.105527 NA MeJP NA NA +MJ009229 3-Ethyl-3-phenyl-2,6-piperazinedione C12H14N2O2 218.105527 NA MeJP NA NA +MJ009230 4-Ethyl-6,7-dimethoxyquinazoline C12H14N2O2 218.105527 NA MeJP NA NA +MJ009231 5-Hydroxytryptamine; Nb-Ac C12H14N2O2 218.105527 NA MeJP NA NA +MJ009232 ?-Methyltryptophan C12H14N2O2 218.105527 NA MeJP NA NA +MJ009233 Cytisine, N-Formyl C12H14N2O2 218.105527 NA MeJP NA NA +MJ009234 Mephenytoin C12H14N2O2 218.105527 NA MeJP NA NA +MJ009235 Metetoin C12H14N2O2 218.105527 NA MeJP NA NA +MJ009236 N-Methyltryptophan C12H14N2O2 218.105527 NA MeJP NA NA +MJ009237 PD 125375 C12H14N2O2 218.105527 NA MeJP NA NA +MJ009238 Peganine, 5-Methoxy C12H14N2O2 218.105527 NA MeJP NA NA +MJ009239 Primidone C12H14N2O2 218.105527 NA MeJP NA NA +MJ009240 Rogletimide C12H14N2O2 218.105527 NA MeJP NA NA +MetaCyc02020 N-acetyl-serotonin [N-acetyl-5-hydroxytryptamine;] C12H14N2O2 218.105528 1210-83-9 metacyc NA NA +MetaCyc02021 L-2-Methyltryptophan [Abrine;L-Abrine;] C12H14N2O2 218.105528 526-31-8 metacyc NA NA +MetaCyc02022 N-methyltryptophan [] C12H14N2O2 218.105528 526-31-8 metacyc NA NA +HMDB01238 N-Acetylserotonin C12H14N2O2 218.10553 http://www.hmdb.ca/metabolites/HMDB01238 HMDB NA NA +HMDB01238 N-Acetylserotonin C12H14N2O2 218.10553 HMDB01238 PFEM_hmdb_metabocards_official NA NA +HMDB01238 N-Acetylserotonin C12H14N2O2 218.10553 NA HMDB2010 NA NA +MJ009241 3-Chloromethyl-7-methyl-2,7-octadiene-1,6-diol; 1-Me ether C11H19ClO2 218.107357 NA MeJP NA NA +MJ009242 3-Chloromethyl-7-methyl-2,7-octadiene-1,6-diol; 6-Me ether C11H19ClO2 218.107357 NA MeJP NA NA +HMDB00350 3-Hydroxysebacic acid C10H18O5 218.115417 NA HMDB2010 NA NA +HMDB00424 2-Hydroxydecanedioic acid C10H18O5 218.115417 NA HMDB2010 NA NA +HMDB00350 3-Hydroxysebacic acid C10H18O5 218.11542 http://www.hmdb.ca/metabolites/HMDB00350 PFEM_hmdb_metabocards_urine NA urine +HMDB00350 3-Hydroxysebacic acid C10H18O5 218.11542 http://www.hmdb.ca/metabolites/HMDB00350 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00350 3-Hydroxysebacic acid C10H18O5 218.11542 http://www.hmdb.ca/metabolites/HMDB00350 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00350 3-Hydroxysebacic acid C10H18O5 218.11542 http://www.hmdb.ca/metabolites/HMDB00350 HMDB NA NA +HMDB00424 2-Hydroxydecanedioic acid C10H18O5 218.11542 http://www.hmdb.ca/metabolites/HMDB00424 HMDB NA NA +HMDB00350 3-Hydroxysebacic acid C10H18O5 218.11542 HMDB00350 PFEM_hmdb_metabocards_official NA NA +HMDB00424 2-Hydroxydecanedioic acid C10H18O5 218.11542 HMDB00424 PFEM_hmdb_metabocards_official NA NA +MJ009243 2,6-Dideoxy-3-C-methyl-xylo-hexose, 3-Me, 4-Ac C10H18O5 218.115423 NA MeJP NA NA +MJ009244 Idralfidine C11H14N4O 218.116761 NA MeJP NA NA +MJ009245 Lysopine C9H18N2O4 218.126657 NA MeJP NA NA +MJ009246 Meprobamate C9H18N2O4 218.126657 NA MeJP NA NA +MJ009247 N2-(D-1-Carboxyethyl)-L-lysine C9H18N2O4 218.126657 NA MeJP NA NA +MetaCyc02023 N2-(D-1-Carboxyethyl)-L-lysine [D-Lysopine;] C9H18N2O4 218.126657 NA metacyc NA NA +C04020 N2-(D-1-Carboxyethyl)-L-lysine C9H18N2O4 218.1267 NA KEGG NA NA +C04021 Phosphatidylinositol phosphate C11H18O16P2R2 218.1267 NA KEGG NA NA +PJ000052 SL C9H18N2O4 218.1267 NA PeJP NA NA +MJ009248 2,9-Tetradecadiene-4,6-diyne-1,14-diol C14H18O2 218.130679 NA MeJP NA NA +MJ009249 2-Decene-4,6-diyn-1-ol, 2-Methylpropanoyl C14H18O2 218.130679 NA MeJP NA NA +MJ009250 3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-O-(3-Methyl-2-butenyl) C14H18O2 218.130679 NA MeJP NA NA +MJ009251 4,6-Tetradecadiene-8,10-diyne-1,12-diol C14H18O2 218.130679 NA MeJP NA NA +MJ009252 4-(1-Propenyl)phenol, 2-Methylbutanoyl C14H18O2 218.130679 NA MeJP NA NA +MJ009253 4-(1-Propenyl)phenol, 3-Methylbutanoyl C14H18O2 218.130679 NA MeJP NA NA +MJ009254 4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone; Me ether C14H18O2 218.130679 NA MeJP NA NA +MJ009255 5,6,7,8-Tetrahydro-5-isopropyl-3-methyl-2-naphthol; 1-Oxo C14H18O2 218.130679 NA MeJP NA NA +MJ009256 5,7,9,11,13-Tetradecapentaenoic acid C14H18O2 218.130679 NA MeJP NA NA +MJ009257 5,7-Dihydroxy[indan-1-spirocyclohexane] C14H18O2 218.130679 NA MeJP NA NA +MJ009258 7-Oxo-14-nor-4-isocedren-15-al C14H18O2 218.130679 NA MeJP NA NA +MJ009259 9-(Tetrahydro-2H-pyran-2-yl)-1,8-nonadiene-4,6-diyn-3-ol, 8',9'-Dihydro C14H18O2 218.130679 NA MeJP NA NA +MJ009260 Chamaecynone; 4-Epimer, 4?-hydroxy C14H18O2 218.130679 NA MeJP NA NA +MJ009261 Chromoarnottione C14H18O2 218.130679 NA MeJP NA NA +MJ009262 Isopterosin C, 1-Deoxy C14H18O2 218.130679 NA MeJP NA NA +MJ009263 Majusculone C14H18O2 218.130679 NA MeJP NA NA +MJ009264 Noroxopenlanfuran C14H18O2 218.130679 NA MeJP NA NA +MJ009265 Norpinguisone C14H18O2 218.130679 NA MeJP NA NA +MJ009266 Pterosin B C14H18O2 218.130679 NA MeJP NA NA +MJ009267 Ternitin C14H18O2 218.130679 NA MeJP NA NA +MetaCyc02024 acetylcarnitine [1-propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt;] C10H20N1O4 218.139233 14992-62-2 metacyc NA NA +C08309 N,N-Dimethyl-5-methoxytryptamine C13H18N2O 218.1419 NA KEGG NA NA +HMDB02004 5-Methoxydimethyltryptamine C13H18N2O 218.141907 NA HMDB2010 NA NA +HMDB02004 5-Methoxydimethyltryptamine C13H18N2O 218.14191 http://www.hmdb.ca/metabolites/HMDB02004 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02004 5-Methoxydimethyltryptamine C13H18N2O 218.14191 http://www.hmdb.ca/metabolites/HMDB02004 HMDB NA NA +HMDB02004 5-Methoxydimethyltryptamine C13H18N2O 218.14191 http://www.hmdb.ca/metabolites/HMDB02004 PFEM_hmdb_metabocards_blood NA blood +HMDB02004 5-Methoxydimethyltryptamine C13H18N2O 218.14191 HMDB02004 PFEM_hmdb_metabocards_official NA NA +MJ009268 Bufotenine; Me ether C13H18N2O 218.141913 NA MeJP NA NA +MJ009269 Bufotenine; Nb-Me, inner salt C13H18N2O 218.141913 NA MeJP NA NA +MJ009270 Cytisine, N-Et C13H18N2O 218.141913 NA MeJP NA NA +MJ009271 Fenoxazoline C13H18N2O 218.141913 NA MeJP NA NA +MJ009272 Lespedamine C13H18N2O 218.141913 NA MeJP NA NA +MJ009273 1(10),11-Chiloscyphadien-7-one C15H22O 218.167065 NA MeJP NA NA +MJ009274 1(10),11-Eremophiladien-2-one C15H22O 218.167065 NA MeJP NA NA +MJ009275 1(10),11-Eremophiladien-8-one C15H22O 218.167065 NA MeJP NA NA +MJ009276 1(10),11-Eremophiladien-9-ol, Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009277 1(10),11-Guaiadien-15-al C15H22O 218.167065 NA MeJP NA NA +MJ009278 1(10),11-Guaiadien-9-one C15H22O 218.167065 NA MeJP NA NA +MJ009279 1(10),11-Spirovetivadien-2-one C15H22O 218.167065 NA MeJP NA NA +MJ009280 1(10),11-Spirovetivadiene, 14-Oxo C15H22O 218.167065 NA MeJP NA NA +MJ009281 1(10),4,7(11)-Germacratrien-8-one C15H22O 218.167065 NA MeJP NA NA +MJ009282 1(10),4-Cadinadien-9-ol; 9?-form, Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009283 1(10),4-Lepidozadien-15-al C15H22O 218.167065 NA MeJP NA NA +MJ009284 1(10),6-Eremophiladien-12-al C15H22O 218.167065 NA MeJP NA NA +MJ009285 1(10),7(11)-Eremophiladien-2-one C15H22O 218.167065 NA MeJP NA NA +MJ009286 1(10),7(11)-Spirovetivadien-2-one C15H22O 218.167065 NA MeJP NA NA +MJ009287 1(10)-Aristolen-13-al C15H22O 218.167065 NA MeJP NA NA +MJ009288 1(10)-Aristolen-2-one C15H22O 218.167065 NA MeJP NA NA +MJ009289 1(10)-Aristolen-9-one C15H22O 218.167065 NA MeJP NA NA +MJ009290 1(10)-Aromadendren-9-one C15H22O 218.167065 NA MeJP NA NA +MJ009291 1(5),11-Guaiadien-2-one C15H22O 218.167065 NA MeJP NA NA +MJ009292 1(5),7(11)-Guaiadien-8-one C15H22O 218.167065 NA MeJP NA NA +MJ009293 1(6)-Lippifolien-2-one; 3?-form C15H22O 218.167065 NA MeJP NA NA +MJ009294 1,10-Epoxy-7,11-nardosinadiene C15H22O 218.167065 NA MeJP NA NA +MJ009295 1,11-Epoxy-1,3,5-bisabolatriene C15H22O 218.167065 NA MeJP NA NA +MJ009296 1,11-Epoxy-4,9-bulgaradiene C15H22O 218.167065 NA MeJP NA NA +MJ009297 1,11-Eremophiladien-9-one C15H22O 218.167065 NA MeJP NA NA +MJ009298 1,2,8,8a-Tetrahydro-1-isopropyl-4,6-dimethyl-2-naphthol C15H22O 218.167065 NA MeJP NA NA +MJ009299 1,3(15),10-Bisabolatrien-9-ol; Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009300 1,3(15),10-Bisabolatriene; 12-Oxo C15H22O 218.167065 NA MeJP NA NA +MJ009301 1,3(15),6,10-Farnesatetraen-12-al C15H22O 218.167065 NA MeJP NA NA +MJ009302 1,3(15),6-Humulatrien-8-one C15H22O 218.167065 NA MeJP NA NA +MJ009303 1,3,10-Bisabolatrien-9-one C15H22O 218.167065 NA MeJP NA NA +MJ009304 1,3,11(13)-Elematrien-12-al C15H22O 218.167065 NA MeJP NA NA +MJ009305 1,3,5,10-Bisabolapentaen-9-ol C15H22O 218.167065 NA MeJP NA NA +MJ009306 1,3,5,10-Bisabolatetraen-1-ol C15H22O 218.167065 NA MeJP NA NA +MJ009307 1,3,5,10-Bisabolatetraen-12-ol C15H22O 218.167065 NA MeJP NA NA +MJ009308 1,3,5,10-Bisabolatetraen-2-ol C15H22O 218.167065 NA MeJP NA NA +MJ009309 1,3,5,10-Bisabolatetraen-7-ol C15H22O 218.167065 NA MeJP NA NA +MJ009310 1,3,5,11-Bisabolatetraen-10-one; 11,12-Dihydro C15H22O 218.167065 NA MeJP NA NA +MJ009311 1,3,5,7(14),10-Farnesapentaen-12-ol C15H22O 218.167065 NA MeJP NA NA +MJ009312 1,3,5-Herbertatriene, 1-Hydroxy C15H22O 218.167065 NA MeJP NA NA +MJ009313 1,3,5-Herbertatriene, 3-Hydroxy C15H22O 218.167065 NA MeJP NA NA +MJ009314 1,3,5-Himachalatrien-5-ol C15H22O 218.167065 NA MeJP NA NA +MJ009315 1,3,6,10-Farnesatetraen-12-al C15H22O 218.167065 NA MeJP NA NA +MJ009316 1,3,7(11)-Elematrien-8-one C15H22O 218.167065 NA MeJP NA NA +MJ009317 1,4(15),11-Elematrien-3-al C15H22O 218.167065 NA MeJP NA NA +MJ009318 1,4(15),5,10(14)-Germacratetraen-9-one, 10S,14-Dihydro C15H22O 218.167065 NA MeJP NA NA +MJ009319 1,7-Cyclo-1(10),4-germacradien-15-al C15H22O 218.167065 NA MeJP NA NA +MJ009320 1,8-Epoxy-2,6-himachaladiene C15H22O 218.167065 NA MeJP NA NA +MJ009321 1,9-Cadinadien-3-one C15H22O 218.167065 NA MeJP NA NA +MJ009322 1-Ishwaranol; 1?-form, Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009323 1-Isopropyl-6,8-dimethyltricyclo[5.3.0.03,8]dec-5-en-4-one C15H22O 218.167065 NA MeJP NA NA +MJ009324 10-Calamenenol C15H22O 218.167065 NA MeJP NA NA +MJ009325 10-Epi-?-valerenol; 12-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009326 13-Bicyclogermacrenal C15H22O 218.167065 NA MeJP NA NA +MJ009327 2,11-Cyclo-13-isocomanol; 13-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009328 2,5,10-Bisabolatrien-12-al C15H22O 218.167065 NA MeJP NA NA +MJ009329 2,5,10-Bisabolatrien-9-one C15H22O 218.167065 NA MeJP NA NA +MJ009330 2,6,9-Humulatrien-14-ol; 14-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009331 2,6,9-Humulatrien-8-ol, Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009332 2,7(14),10-Bisabolatrien-15-ol; 15-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009333 2,7(14),10-Bisabolatrien-9-one C15H22O 218.167065 NA MeJP NA NA +MJ009334 2,7(14)-Chamigradien-15-al C15H22O 218.167065 NA MeJP NA NA +MJ009335 2,7,10-Bisabolatrien-9-one C15H22O 218.167065 NA MeJP NA NA +MJ009336 2-(2,6-Dimethyl-5,7-octadienyl)-4-methylfuran C15H22O 218.167065 NA MeJP NA NA +MJ009337 2-Isocomen-13-ol; 13-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009338 2-Isocomen-14-ol; 14-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009339 2-Isocomen-5-one C15H22O 218.167065 NA MeJP NA NA +MJ009340 3(15),7-Caryophylladien-6-ol, 6-Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009341 3(15)-Cedren-8-ol, 8-Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009342 3(15)-Cedren-9-ol, 9-Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009343 3(15)-Gymnomitren-1-ol, 1-Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009344 3(15)-Gymnomitren-12-ol; 12-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009345 3(15)-Gymnomitren-9-one C15H22O 218.167065 NA MeJP NA NA +MJ009346 3(15)-Longipinen-4-ol; 4-Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009347 3,10(14)-Acoradien-9-one C15H22O 218.167065 NA MeJP NA NA +MJ009348 3,11(13)-Eudesmadien-12-ol; 12-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009349 3,11-Acoradien-15-ol; 15-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009350 3,11-Eudesmadien-15-al C15H22O 218.167065 NA MeJP NA NA +MJ009351 3,11-Eudesmadien-2-one C15H22O 218.167065 NA MeJP NA NA +MJ009352 3,11-Eudesmadien-9-ol, 9-Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009353 3,7(11)-Eudesmadien-2-one C15H22O 218.167065 NA MeJP NA NA +MJ009354 3,7(14),10-Bisabolatrien-2-one C15H22O 218.167065 NA MeJP NA NA +MJ009355 3-Cedren-15-ol, Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009356 3-Copaen-2-one C15H22O 218.167065 NA MeJP NA NA +MJ009357 3-Copaen-8-ol; 8?-form, 8-Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009358 3-Gymnomitren-15-al C15H22O 218.167065 NA MeJP NA NA +MJ009359 3-Ishwaranone C15H22O 218.167065 NA MeJP NA NA +MJ009360 3-Longipinen-5-one C15H22O 218.167065 NA MeJP NA NA +MJ009361 3-Methyl-5-(2,3,6-trimethoxyphenyl)-1-penten-3-ol C15H22O 218.167065 NA MeJP NA NA +MJ009362 3-Silphinenone C15H22O 218.167065 NA MeJP NA NA +MJ009363 3-Thujopsen-5-one; ent-form C15H22O 218.167065 NA MeJP NA NA +MJ009364 4(15),11(13)-Eudesmadien-12-ol, 12-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009365 4(15),11-Amorphadien-9-one C15H22O 218.167065 NA MeJP NA NA +MJ009366 4(15),11-Eudesmadien-1-ol, 1-Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009367 4(15),11-Eudesmadien-8-one; ent-form C15H22O 218.167065 NA MeJP NA NA +MJ009368 4(15),5,10(14)-Germacratrien-1-ol, 1-Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009369 4(15),7(11)-Eudesmadien-8-one C15H22O 218.167065 NA MeJP NA NA +MJ009370 4(15),7(11)-Oppositadien-12-al C15H22O 218.167065 NA MeJP NA NA +MJ009371 4(15),7(11)-Valerenadien-12-ol, 12-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009372 4,10(14),11-Germacratrien-1-one C15H22O 218.167065 NA MeJP NA NA +MJ009373 4,10(14)-Cadinadien-3-one C15H22O 218.167065 NA MeJP NA NA +MJ009374 4,10(14)-Oplopadien-3-ol; 3-Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009375 4,11(13)-Eudesmadien-12-ol; 12-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009376 4,11,11-Trimethyltricyclo[6.3.1.02,5]dodec-7-en-6-one C15H22O 218.167065 NA MeJP NA NA +MJ009377 4,11-Cadinadien-15-ol, 15-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009378 4,11-Eudesmadien-15-al C15H22O 218.167065 NA MeJP NA NA +MJ009379 4,11-Eudesmadien-3-one C15H22O 218.167065 NA MeJP NA NA +MJ009380 4,11-Guaiadien-3-one C15H22O 218.167065 NA MeJP NA NA +MJ009381 4,6(8)-Porosadien-7-one C15H22O 218.167065 NA MeJP NA NA +MJ009382 4,6-Dumortadien-3-one C15H22O 218.167065 NA MeJP NA NA +MJ009383 4,6-Eudesmadien-3-one C15H22O 218.167065 NA MeJP NA NA +MJ009384 4,7(11)-Acoradien-8-one C15H22O 218.167065 NA MeJP NA NA +MJ009385 4,7(11)-Amorphadien-12-al C15H22O 218.167065 NA MeJP NA NA +MJ009386 4,7(11)-Eudesmadien-8-ol, 8-Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009387 4,7(11)-Guaiadien-8-one C15H22O 218.167065 NA MeJP NA NA +MJ009388 4,7(11)-Valerenadien-12-ol, 12-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009389 4,7-Epoxy-2,11-spirovetivadiene C15H22O 218.167065 NA MeJP NA NA +MJ009390 4,8-Daucadien-14-al C15H22O 218.167065 NA MeJP NA NA +MJ009391 4,9-Muuroladien-14-al C15H22O 218.167065 NA MeJP NA NA +MJ009392 4,9-Muuroladien-15-ol; 15-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009393 4-Aromadendren-3-one C15H22O 218.167065 NA MeJP NA NA +MJ009394 4-Chloro-3,7-chamigradien-9-one; Dechloro C15H22O 218.167065 NA MeJP NA NA +MJ009395 4-Isocedren-15-al C15H22O 218.167065 NA MeJP NA NA +MJ009396 4-Methyl-2-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)furan C15H22O 218.167065 NA MeJP NA NA +MJ009397 4-Patchoulen-15-ol; 15-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009398 4-Patchoulen-3-one C15H22O 218.167065 NA MeJP NA NA +MJ009399 4-Patchoulen-6-ol, Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009400 5,6,7,8-Tetrahydro-5-isopropyl-3-methyl-2-naphthol; Me ether C15H22O 218.167065 NA MeJP NA NA +MJ009401 5,8-Daucadien-14-al C15H22O 218.167065 NA MeJP NA NA +MJ009402 5,8-Epoxy-3,7(11)-amorphadiene C15H22O 218.167065 NA MeJP NA NA +MJ009403 5-Africanen-4-one C15H22O 218.167065 NA MeJP NA NA +MJ009404 5-Silphiperfolen-3-ol, 3-Ketone C15H22O 218.167065 NA MeJP NA NA +MJ009405 5-Zizaen-4-one C15H22O 218.167065 NA MeJP NA NA +MJ009406 6(13)-Zizaen-12-ol; 2?H-form, 12-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009407 6(13)-Zizaen-12-ol; 2à H-form, 12-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009408 6,11-Epoxy-5,10-pinguisadien-3-one; Deoxo C15H22O 218.167065 NA MeJP NA NA +MJ009409 6,8,10,12-Pentadecatetraenal C15H22O 218.167065 NA MeJP NA NA +MJ009410 6-Silphiperfolen-5-one C15H22O 218.167065 NA MeJP NA NA +MJ009411 7(14),9-Chamigradien-2-one C15H22O 218.167065 NA MeJP NA NA +MJ009412 7,10-Epoxy-1,11-eremophiladiene C15H22O 218.167065 NA MeJP NA NA +MJ009413 8,11-Daucadien-14-al C15H22O 218.167065 NA MeJP NA NA +MJ009414 8,13-Pentadecadien-11-yn-2-one C15H22O 218.167065 NA MeJP NA NA +MJ009415 8-Hydroxy-1(10),4-cadinadien-3-one; Deoxy C15H22O 218.167065 NA MeJP NA NA +MJ009416 9,11-Eremophiladien-8-one C15H22O 218.167065 NA MeJP NA NA +MJ009417 9-Aristolen-12-al C15H22O 218.167065 NA MeJP NA NA +MJ009418 9-Aristolen-8-one C15H22O 218.167065 NA MeJP NA NA +MJ009419 9-Hydroxy-3(15),6-caryophylladien-8-one, 9-Deoxy C15H22O 218.167065 NA MeJP NA NA +MJ009420 9-Isocapnellen-8-one C15H22O 218.167065 NA MeJP NA NA +MJ009421 ?-Cuparenone, 9?-Alcohol C15H22O 218.167065 NA MeJP NA NA +MJ009422 ?-Santala-3(15),10-dien-12-ol, Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009423 Caespitenene C15H22O 218.167065 NA MeJP NA NA +MJ009424 Calamenene, 3-Hydroxy C15H22O 218.167065 NA MeJP NA NA +MJ009425 Calamenene, 5-Hydroxy C15H22O 218.167065 NA MeJP NA NA +MJ009426 Calamenene, 2-Hydroxy C15H22O 218.167065 NA MeJP NA NA +MJ009427 Calamenene, 3-Hydroxy C15H22O 218.167065 NA MeJP NA NA +MJ009428 Calamenene, 15-Hydroxy C15H22O 218.167065 NA MeJP NA NA +MJ009429 Calamenene, 3-Hydroxy C15H22O 218.167065 NA MeJP NA NA +MJ009430 Cuparene, 1-Hydroxy C15H22O 218.167065 NA MeJP NA NA +MJ009431 Cuparene, 15-Hydroxy C15H22O 218.167065 NA MeJP NA NA +MJ009432 Cuparene, 1-Hydroxy C15H22O 218.167065 NA MeJP NA NA +MJ009433 Cuparene, 2-Hydroxy C15H22O 218.167065 NA MeJP NA NA +MJ009434 Dendrolasin C15H22O 218.167065 NA MeJP NA NA +MJ009435 Elvirol C15H22O 218.167065 NA MeJP NA NA +MJ009436 Euryfuran C15H22O 218.167065 NA MeJP NA NA +MJ009437 Furanoeremophilane C15H22O 218.167065 NA MeJP NA NA +MJ009438 Germazone C15H22O 218.167065 NA MeJP NA NA +MJ009439 Grimaldone C15H22O 218.167065 NA MeJP NA NA +MJ009440 Isobicyclogermacrenal C15H22O 218.167065 NA MeJP NA NA +MJ009441 Isoishwarone C15H22O 218.167065 NA MeJP NA NA +MJ009442 Isooccidol 1 C15H22O 218.167065 NA MeJP NA NA +MJ009443 Isooccidol 2 C15H22O 218.167065 NA MeJP NA NA +MJ009444 Laurene; 15-Hydroxy, 8,11-dihydro C15H22O 218.167065 NA MeJP NA NA +MJ009445 Microcionin 1 C15H22O 218.167065 NA MeJP NA NA +MJ009446 Microcionin 2 C15H22O 218.167065 NA MeJP NA NA +MJ009447 Microcionin 3 C15H22O 218.167065 NA MeJP NA NA +MJ009448 Myliol C15H22O 218.167065 NA MeJP NA NA +MJ009449 Nudenoic acid; 13-Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009450 Occidol C15H22O 218.167065 NA MeJP NA NA +MJ009451 Pallescensin A C15H22O 218.167065 NA MeJP NA NA +MJ009452 Penlanpallescensin C15H22O 218.167065 NA MeJP NA NA +MJ009453 Perforenone C15H22O 218.167065 NA MeJP NA NA +MJ009454 Saccogynol C15H22O 218.167065 NA MeJP NA NA +MJ009455 Sesquirosefuran C15H22O 218.167065 NA MeJP NA NA +MJ009456 Sesquisabinene; 12-Oxo C15H22O 218.167065 NA MeJP NA NA +MJ009457 Solanascone C15H22O 218.167065 NA MeJP NA NA +MJ009458 Suberosenone C15H22O 218.167065 NA MeJP NA NA +MJ009459 Taylorione C15H22O 218.167065 NA MeJP NA NA +MJ009460 Vitrenal C15H22O 218.167065 NA MeJP NA NA +MJ009461 Vulgarone A C15H22O 218.167065 NA MeJP NA NA +MJ009462 Zierone C15H22O 218.167065 NA MeJP NA NA +MJ009463 ?-Cuparenone, 1,4-Dihydro C15H22O 218.167065 NA MeJP NA NA +MJ009464 ?-Cuparenone, 10R-Alcohol C15H22O 218.167065 NA MeJP NA NA +MJ009465 ?-Cuparenone, 10S-Alcohol C15H22O 218.167065 NA MeJP NA NA +MJ009466 ?-Santal-10-en-12-ol, Aldehyde C15H22O 218.167065 NA MeJP NA NA +MJ009467 ?-Santal-10-en-9-one C15H22O 218.167065 NA MeJP NA NA +MJ009468 ?-Santal-11-en-10-ol; 10-Ketone C15H22O 218.167065 NA MeJP NA NA +MetaCyc02025 solavetivone [] C15H22O1 218.167065 NA metacyc NA NA +MetaCyc02026 artemisinic aldehyde [] C15H22O1 218.167065 NA metacyc NA NA +C09729 alpha-Sinensal C15H22O 218.1671 NA KEGG NA NA +C09730 beta-Sinensal C15H22O 218.1671 NA KEGG NA NA +C09737 Solavetivone C15H22O 218.1671 NA KEGG NA NA +C09744 alpha-Vetivone C15H22O 218.1671 NA KEGG NA NA +C09745 beta-Vetivone C15H22O 218.1671 NA KEGG NA NA +C09938 (+)-8-Hydroxycalamenene C15H22O 218.1671 NA KEGG NA NA +C16779 Dendrolasin C15H22O 218.1671 NA KEGG NA NA +C16966 Germacrone C15H22O 218.1671 NA KEGG NA NA +C17494 Turmerone C15H22O 218.1671 NA KEGG NA NA +C17501 Cyperotundone C15H22O 218.1671 NA KEGG NA NA +C17914 Nootkatone C15H22O 218.1671 NA KEGG NA NA +C17954 Albaflavenone C15H22O 218.1671 NA KEGG NA NA +MJ009469 1-Butoxy-2-methyl-1-(2-methylpropoxy)-2-propanol C12H26O3 218.188194 NA MeJP NA NA +MJ009470 1,3,6,10-Farnesatetraene C16H26 218.20345 NA MeJP NA NA +MJ009471 14-Methyl-1,3,6,10-farnesatetraene C16H26 218.20345 NA MeJP NA NA +MJ009472 4,8,12-Trimethyl-1,3,7,11-tridecatetraene C16H26 218.20345 NA MeJP NA NA +MJ009473 8-Methyl-2,7(14)-himachaladiene C16H26 218.20345 NA MeJP NA NA +MJ009474 9-Methyl-1(10),4,7(11)-germacratriene C16H26 218.20345 NA MeJP NA NA +TEST002 N?(carboxyethyl)lysine (CEL) +sucre (glucose/fructose/galactose ?) C9H18N2O4 218.2502 http://www.ebi.ac.uk/chebi/searchId.do;30D19046153DC67FFD0E8986038E72A4?chebiId=CHEBI:61063 PFEM_hmdb_metabocards_urine NA urine +TEST002 N?(carboxyethyl)lysine (CEL) +sucre (glucose/fructose/galactose ?) C9H18N2O4 218.2502 http://www.ebi.ac.uk/chebi/searchId.do;30D19046153DC67FFD0E8986038E72A4?chebiId=CHEBI:61063 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +TEST002 N?(carboxyethyl)lysine (CEL) +sucre (glucose/fructose/galactose ?) C9H18N2O4 218.2502 http://www.ebi.ac.uk/chebi/searchId.do;30D19046153DC67FFD0E8986038E72A4?chebiId=CHEBI:61063 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +TEST002 N?(carboxyethyl)lysine (CEL) +sucre (glucose/fructose/galactose ?) C9H18N2O4 218.2502 http://www.ebi.ac.uk/chebi/searchId.do;30D19046153DC67FFD0E8986038E72A4?chebiId=CHEBI:61063 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +TEST002 N?(carboxyethyl)lysine (CEL) +sucre (glucose/fructose/galactose ?) C9H18N2O4 218.2502 http://www.ebi.ac.uk/chebi/searchId.do;30D19046153DC67FFD0E8986038E72A4?chebiId=CHEBI:61063 HMDB NA NA +TEST002 N?(carboxyethyl)lysine (CEL) +sucre (glucose/fructose/galactose ?) C9H18N2O4 218.2502 http://www.ebi.ac.uk/chebi/searchId.do;30D19046153DC67FFD0E8986038E72A4?chebiId=CHEBI:61063 Inhouse_PFEM NA NA +TEST002 N?(carboxyethyl)lysine (CEL) +sucre (glucose/fructose/galactose ?) C9H18N2O4 218.2502 http://www.ebi.ac.uk/chebi/searchId.do;30D19046153DC67FFD0E8986038E72A4?chebiId=CHEBI:61063 PFEM_hmdb_metabocards_blood NA blood +TEST002 N?(carboxyethyl)lysine (CEL) +sucre (glucose/fructose/galactose ?) C9H18N2O4 218.2502 http://www.ebi.ac.uk/chebi/searchId.do;30D19046153DC67FFD0E8986038E72A4?chebiId=CHEBI:61063 PFEM_hmdb_metabocards_official NA NA +3761 dipeptidyl carboxypeptidase inhibitor PPPK 218.625 MH2+ Inhouse_peptide NA peptide +MJ009475 2,3,4-Trichloro-1H-indole C8H4Cl3N 218.940932 NA MeJP NA NA +MJ009476 2,3,7-Trichloro-1H-indole C8H4Cl3N 218.940932 NA MeJP NA NA +HMDB06492 4-Nitrophenyl sulfate C6H5NO6S 218.98376 http://www.hmdb.ca/metabolites/HMDB06492 HMDB NA NA +HMDB06492 4-Nitrophenyl sulfate C6H5NO6S 218.98376 HMDB06492 PFEM_hmdb_metabocards_official NA NA +HMDB06492 4-Nitrophenyl sulfate C6H5NO6S 218.983765 NA HMDB2010 NA NA +CJneg0398 Sulfosalicylic acid isomer [(M-H)]- (13C) C613CH5O6S 218.992425 C18rt(min)=4.8 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0398 Sulfosalicylic acid isomer [(M-H)]- (13C) C613CH5O6S 218.992425 C18rt(min)=4.8 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +HMDB01300 Nitrophenylphosphate C6H6NO6P 218.99327 http://www.hmdb.ca/metabolites/HMDB01300 HMDB NA NA +HMDB01300 Nitrophenylphosphate C6H6NO6P 218.99327 HMDB01300 PFEM_hmdb_metabocards_official NA NA +MJ009477 4-Nitrophenyl phosphate C6H6NO6P 218.993273 NA MeJP NA NA +MetaCyc02027 p-nitrophenyl phosphate [] C6H6N1O6P1 218.993273 NA metacyc NA NA +MetaCyc02028 nitrophenol-phosphate [NO2-phen-P;nitrophenol-P;] C6H6N1O6P1 218.993273 NA metacyc NA NA +MetaCyc02029 4-nitrophenyl phosphate [] C6H6N1O6P1 218.993273 330-13-2 metacyc NA NA +C03360 4-Nitrophenyl phosphate C6H6NO6P 218.9933 NA KEGG NA NA +C03361 5'-Acylphosphoadenosine C11H13N5O8PR 218.9933 NA KEGG NA NA +C03363 5-L-Glutamyl amino acid C7H11N2O5R 218.9933 NA KEGG NA NA +CJneg0399 Hydroxyphenyllactic acid [(M+Cl)]- (13C) C813CH10ClO4 219.038525 C18rt(min)=5.22 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0399 Hydroxyphenyllactic acid [(M+Cl)]- (13C) C813CH10ClO4 219.038525 C18rt(min)=5.22 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MetaCyc02030 hydroxymethylpyrimidine phosphate [4-amino-2-methyl-5-phosphomethylpyrimidine;4-amino-5-phosphomethyl-2-methylpyrimidine;HMP-P;4-amino-5-hydroxymethyl-2-methylpyrimidine-P;4-amino-5-hydroxymethyl-2-methylpyrimidine-phosphate;] C6H10N3O4P1 219.040892 NA metacyc NA NA +C04556 4-Amino-2-methyl-5-phosphomethylpyrimidine C6H10N3O4P 219.0409 NA KEGG NA NA +MJ009478 Ornidazole C7H10ClN3O3 219.041068 NA MeJP NA NA +MJ009479 Oxalylalbizziine C6H9N3O6 219.049135 NA MeJP NA NA +MJ009480 1,2-Dihydro-4-hydroxy-2-oxo-3-quinolineacetic acid C11H9NO4 219.053157 NA MeJP NA NA +MJ009481 4,6-Dihydroxy-2-quinolinecarboxylic acid; 6-Me ether C11H9NO4 219.053157 NA MeJP NA NA +MJ009482 4,7-Dihydroxy-2-quinolinecarboxylic acid; 7-Me ether C11H9NO4 219.053157 NA MeJP NA NA +MJ009483 4,8-Dihydroxy-2-quinolinecarboxylic acid; 8-Me ether C11H9NO4 219.053157 NA MeJP NA NA +MJ009484 5,6-Dimethyl-2-nitro-1,3-indanedione C11H9NO4 219.053157 NA MeJP NA NA +MJ009485 5-Hydroxyindolepyruvate C11H9NO4 219.053157 NA MeJP NA NA +MJ009486 8-Methoxykynurenate C11H9NO4 219.053157 NA MeJP NA NA +C05646 5-Hydroxyindolepyruvate C11H9NO4 219.0532 NA KEGG NA NA +C05830 8-Methoxykynurenate C11H9NO4 219.0532 NA KEGG NA NA +CJneg0400 Mannitol (and isomers) [(M+Cl)]- (13C) C513CH14ClO6 219.059625 C18rt(min)=0.85 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0400 Mannitol (and isomers) [(M+Cl)]- (13C) C513CH14ClO6 219.059625 C18rt(min)=0.85 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C13671 (S)-F-Willardiine C7H10FN3O4 219.0655 NA KEGG NA NA +CJneg0401 Tetrahydrohippuric acid [(M+Cl)]- C9H13ClNO3 219.066425 C18rt(min)=6.33 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0401 Tetrahydrohippuric acid [(M+Cl)]- C9H13ClNO3 219.066425 C18rt(min)=6.33 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ009487 Illukumbin C12H13NOS 219.071784 NA MeJP NA NA +MJ009488 O-Succinyl-L-homoserine C8H13NO6 219.074287 NA MeJP NA NA +MetaCyc02031 O-succinyl-L-homoserine [O-succinyl-homoserine;o-succinyl-L-homoserine;succinyl-homoserine;] C8H13N1O6 219.074287 1492-23-5 metacyc NA NA +C01118 O-Succinyl-L-homoserine C8H13NO6 219.0743 NA KEGG NA NA +C03776 N-Acetyl-D-mannosaminolactone C8H13NO6 219.0743 NA KEGG NA NA +MJ009489 1-Isothiocyanato-7-(methylthio)heptane; S-Oxide C9H17NOS2 219.075155 NA MeJP NA NA +MJ009490 Uredepa C7H14N3O3P 219.077277 NA MeJP NA NA +C04673 1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol C7H13N3O5 219.0855 NA KEGG NA NA +PJ000053 SN C7H13N3O5 219.0855 NA PeJP NA NA +MetaCyc02032 D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol [] C7H13N3O5 219.085521 NA metacyc NA NA +C13355 Aniracetam C12H13NO3 219.0895 NA KEGG NA NA +C13356 Transferred to D01884 C12H13NO3 219.0895 NA KEGG NA NA +C13357 Transferred to D01885 C12H13NO3 219.0895 NA KEGG NA NA +MJ009491 1,6,7-Isoquinolinetriol; NH-form, O,O,N-Tri-Me C12H13NO3 219.089543 NA MeJP NA NA +MJ009492 2,3,4-Quinolinetriol; NH-form, 3,4-Di-Me ether, N-Me C12H13NO3 219.089543 NA MeJP NA NA +MJ009493 2,4,6-Quinolinetriol; NH-form, N,O4,O6-Tri-Me C12H13NO3 219.089543 NA MeJP NA NA +MJ009494 2,4,8-Quinolinetriol; NH-form, O4,O8,N-Tri-Me C12H13NO3 219.089543 NA MeJP NA NA +MJ009495 5,6,7-Isoquinolinetriol; 5,6,7-Tri-Me ether C12H13NO3 219.089543 NA MeJP NA NA +MJ009496 6,7-Dihydroxy-1-methylisoquinoline; Di-Me ether, N-oxide C12H13NO3 219.089543 NA MeJP NA NA +MJ009497 Aniracetam C12H13NO3 219.089543 NA MeJP NA NA +MJ009498 Norsecurinine, 14S,15R-Epoxide C12H13NO3 219.089543 NA MeJP NA NA +MJ009499 Norcotarnine; N-Me C12H14NO3(+) 219.089543 NA MeJP NA NA +MJ009500 Thalpetaline C12H14NO3(+) 219.089543 NA MeJP NA NA +8037 synthetic peptide PHW 219.0945 MH2+ Inhouse_peptide NA peptide +8043 synthetic peptide PWH 219.0945 MH2+ Inhouse_peptide NA peptide +C03417 Ngamma-Nitro-L-arginine C6H13N5O4 219.0968 NA KEGG NA NA +C03418 Nucleoside 2'-phosphate C5H10O7PR 219.0968 NA KEGG NA NA +C03419 Nucleoside 3'-phosphate C5H10O7PR 219.0968 NA KEGG NA NA +C03422 O-Palmitoylglycoprotein C20H36N2O4R2 219.0968 NA KEGG NA NA +3767 dipeptidyl carboxypeptidase inhibitor PPEP 219.099 MH2+ Inhouse_peptide NA peptide +3777 dipeptidyl carboxypeptidase inhibitor PPPE 219.099 MH2+ Inhouse_peptide NA peptide +MJ009501 N-Phenyl-1-naphthylamine C16H13N 219.104799 NA MeJP NA NA +MJ009502 N-Phenyl-2-naphthylamine C16H13N 219.104799 NA MeJP NA NA +C14405 N-Phenyl-1-naphthylamine C16H13N 219.1048 NA KEGG NA NA +C14694 N-Phenyl-2-naphthylamine C16H13N 219.1048 NA KEGG NA NA +CJpos0573 Pantothenic acid [(M+H)]+ C9H18NO5 219.110175 C18rt(min)=4.77 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0573 Pantothenic acid [(M+H)]+ C9H18NO5 219.110175 C18rt(min)=4.77 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +HMDB00210 Pantothenic acid C9H17NO5 219.11067 http://www.hmdb.ca/metabolites/HMDB00210 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00210 Pantothenic acid C9H17NO5 219.11067 http://www.hmdb.ca/metabolites/HMDB00210 HMDB NA NA +HMDB00210 Pantothenic acid C9H17NO5 219.11067 NA ;SYN:5-amino-4-oxo-Pentanoate; 5-amino-4-oxo-Pentanoic acid; 5-Amino-4-oxopentanoate; 5-Amino-4-oxopentanoic acid; 5-Amino-4-oxovalerate; 5-Amino-4-oxovaleric acid; 5-amino-Levulinate; 5-amino-Levulinic acid; 5-aminolaevulinate; 5-Aminolaevulinic acid; 5-Aminolevulinate; Aladerm; Amino-levulinic acid; Aminolevulinate; Aminolevulinic acid; delta-aminolevulinate; delta-Aminolevulinic acid; KerastickH2Blood; Urine Inhouse_peptide NA peptide +HMDB00210 Pantothenic acid C9H17NO5 219.11067 http://www.hmdb.ca/metabolites/HMDB00210 PFEM_hmdb_metabocards_blood NA blood +HMDB00210 Pantothenic acid C9H17NO5 219.11067 HMDB00210 PFEM_hmdb_metabocards_official NA NA +LABER051 panthotenic acid C9H17NO5 219.110672 RT 12.21 pic trainant fragt PFEM_hmdb_metabocards_urine NA urine +LABER051 panthotenic acid C9H17NO5 219.110672 RT 12.21 pic trainant fragt BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER051 panthotenic acid C9H17NO5 219.110672 RT 12.21 pic trainant fragt Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER051 panthotenic acid C9H17NO5 219.110672 RT 12.21 pic trainant fragt banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER051 panthotenic acid C9H17NO5 219.110672 RT 12.21 pic trainant fragt HMDB NA NA +HMDB00210 Pantothenic acid C9H17NO5 219.110672 NA HMDB2010 NA NA +LABER051 panthotenic acid C9H17NO5 219.110672 RT 12.21 pic trainant fragt Inhouse_PFEM NA NA +LABER051 panthotenic acid C9H17NO5 219.110672 RT 12.21 pic trainant fragt Inhousejuil11 NA NA +MJ009503 1,2,6,7-Tetrahydroxy-3-hydroxymethyl-5-methylpyrrolizidine C9H17NO5 219.110672 NA MeJP NA NA +MJ009504 2-Amino-4-hydroxy-4-(2-methylpropyl)pentanedioic acid C9H17NO5 219.110672 NA MeJP NA NA +MJ009505 Pantothenic acid C9H17NO5 219.110672 NA MeJP NA NA +MJ009506 (R)-Pantothenate C9H17NO5 219.110672 NA MeJP NA NA +LABER051 panthotenic acid C9H17NO5 219.110672 RT 12.21 pic trainant fragt PFEM_hmdb_metabocards_blood NA blood +LABER051 panthotenic acid C9H17NO5 219.110672 RT 12.21 pic trainant fragt PFEM_hmdb_metabocards_official NA NA +MetaCyc02033 pantothenate [(R)-pantothenate;vitamin B5;pantothenic acid;D-pantothenic acid;] C9H17N1O5 219.110673 79-83-4 metacyc NA NA +EUR076 Pantothenic acid C9H17NO5 219.1107 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR076 Pantothenic acid C9H17NO5 219.1107 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR076 Pantothenic acid C9H17NO5 219.1107 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR076 Pantothenic acid C9H17NO5 219.1107 Wishlist Inhousejuil11 NA NA +C00864 Pantothenate C9H17NO5 219.1107 NA KEGG NA NA +C00865 Phospholipid C5H6O8PR3 219.1107 NA KEGG NA NA +C00866 Proteoglycan C5H6O8PR3 219.1107 NA KEGG NA NA +C00868 tRNA uridine C9H13N2O9P 219.1107 NA KEGG NA NA +CJneg0402 Pantothenic acid [(M-H)]- C9H16NO5 219.111225 C18rt(min)=4.77 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0402 Pantothenic acid [(M-H)]- C9H16NO5 219.111225 C18rt(min)=4.77 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +JH150 Pantothenic acid [M+H]+ C9H17NO5 219.1115 6.63 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH150 Pantothenic acid [M+H]+ C9H17NO5 219.1115 6.63 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH150 Pantothenic acid [M+H]+ C9H17NO5 219.1115 6.63 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH150 Pantothenic acid [M+H]+ C9H17NO5 219.1115 6.63 Inhousejuil11 NA NA +EUR341 pantothenic acid F1 C9H17NO5 219.111775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR341 Acide pantothenique F1 NA 219.111775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR341 pantothenic acid F1 C9H17NO5 219.111775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR341 Acide pantothenique F1 NA 219.111775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR341 pantothenic acid F1 C9H17NO5 219.111775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR341 Acide pantothenique F1 NA 219.111775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR341 pantothenic acid F1 C9H17NO5 219.111775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR341 pantothenic acid F1 C9H17NO5 219.111775 standards wishlist analysés sur QTOF HMDB NA NA +EUR341 pantothenic acid F1 C9H17NO5 219.111775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR341 Acide pantothenique F1 NA 219.111775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR341 pantothenic acid F1 C9H17NO5 219.111775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR341 pantothenic acid F1 C9H17NO5 219.111775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C00371 Zeatin C10H13N5O 219.112 NA KEGG NA NA +C00372 Dextran C10H13N5O 219.112 NA KEGG NA NA +C15545 cis-Zeatin C10H13N5O 219.112 NA KEGG NA NA +MJ009507 Zeatin C10H13N5O 219.11201 NA MeJP NA NA +MetaCyc02034 cis-zeatin [(Z)-2-methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;cZ;] C10H13N5O1 219.11201 NA metacyc NA NA +HMDB12204 Cis-zeatin C10H13N5O 219.112015 NA HMDB2010 NA NA +MJ009508 Connatin C8H17N3O4 219.121906 NA MeJP NA NA +MJ009509 Octopinic acid C8H17N3O4 219.121906 NA MeJP NA NA +MJ009510 Ornithinoalanine; DL-L-form C8H17N3O4 219.121906 NA MeJP NA NA +MJ009511 Prumycin C8H17N3O4 219.121906 NA MeJP NA NA +C10857 Darlingine C13H17NO2 219.1259 NA KEGG NA NA +MJ009512 2-Dimethylaminoethyl cinnamate C13H17NO2 219.125928 NA MeJP NA NA +MJ009513 3,4-Dihydro-6,8-dimethoxy-1,3-dimethylisoquinoline C13H17NO2 219.125928 NA MeJP NA NA +MJ009514 Alminoprofen C13H17NO2 219.125928 NA MeJP NA NA +MJ009515 Darlingine C13H17NO2 219.125928 NA MeJP NA NA +MJ009516 Dihydrosecurinine; Natural-form C13H17NO2 219.125928 NA MeJP NA NA +MJ009517 N-Benzylcyclopropylcarbamic acid; Et ester C13H17NO2 219.125928 NA MeJP NA NA +MJ009518 Norruspoline C13H17NO2 219.125928 NA MeJP NA NA +MJ009519 Suffruticonine C13H17NO2 219.125928 NA MeJP NA NA +MJ009520 Tanakamine C13H17NO2 219.125928 NA MeJP NA NA +MJ009521 Tanakine C13H17NO2 219.125928 NA MeJP NA NA +C17229 Pentahomomethionine C10H21NO2S 219.1293 NA KEGG NA NA +2665 synthetic fr, of human beta-CN (126-129) ACE inhibitor LPLP 219.136 MH2+ Inhouse_peptide NA peptide +MJ009522 Cimaterol C12H17N3O 219.137162 NA MeJP NA NA +MJ009523 2-(Hydroxymethyl)-3,4,5-piperidinetriol, N-Butyl C10H21NO4 219.147058 NA MeJP NA NA +MJ009524 2-Butyl-6-hydroxymethyl-3,4,5-piperidinetriol C10H21NO4 219.147058 NA MeJP NA NA +MJ009525 2-Hydroxymethyl-5-(1-hydroxypentyl)-3,4-pyrrolidinediol C10H21NO4 219.147058 NA MeJP NA NA +C13664 Bufotenidine C13H19N2O 219.1497 NA KEGG NA NA +C09949 Fabianine C14H21NO 219.1623 NA KEGG NA NA +C10171 (-)-Sedamine C14H21NO 219.1623 NA KEGG NA NA +MJ009526 7-Demethyldeoxynupharidine C14H21NO 219.162314 NA MeJP NA NA +MJ009527 Fabianine C14H21NO 219.162314 NA MeJP NA NA +MJ009528 Preclamol C14H21NO 219.162314 NA MeJP NA NA +MJ009529 Profadol C14H21NO 219.162314 NA MeJP NA NA +MJ009530 Sedamine C14H21NO 219.162314 NA MeJP NA NA +MJ009531 Zylofuramine C14H21NO 219.162314 NA MeJP NA NA +MJ009532 Quinpirole C13H21N3 219.173547 NA MeJP NA NA +MJ009533 Amfepentorex C15H25N 219.198699 NA MeJP NA NA +MJ009534 Dendrobates Alkaloid 219A C15H25N 219.198699 NA MeJP NA NA +MJ009535 Dendrobates Alkaloid 219B C15H25N 219.198699 NA MeJP NA NA +7910 synthetic peptide FHH 219.592 MH2+ Inhouse_peptide NA peptide +7912 synthetic peptide HFH 219.592 MH2+ Inhouse_peptide NA peptide +7915 synthetic peptide HHF 219.592 MH2+ Inhouse_peptide NA peptide +8283 antioxidative peptide NHAV 219.60295 MH2+ Inhouse_peptide NA peptide +8064 synthetic peptide RHQ 219.6085 MH2+ Inhouse_peptide NA peptide +8060 synthetic peptide RHK 219.6265 MH2+ Inhouse_peptide NA peptide +2818 PEP inhibitor KPPV 219.633 MH2+ Inhouse_peptide NA peptide +MJ009536 Indium(III) chloride Cl3In 219.810436 NA MeJP NA NA +MJ009537 Bromoiodomethane CH2BrI 219.838456 NA MeJP NA NA +MJ009538 Methylhexathiepane C2H4S6 219.863724 NA MeJP NA NA +MJ009539 Chloroiodoacetic acid C2H2ClIO2 219.8788 NA MeJP NA NA +MJ009540 1-Chloro-3-iodo-2-propanol C3H6ClIO 219.915185 NA MeJP NA NA +C01874 2-Iodophenol C6H5IO 219.9385 NA KEGG NA NA +MetaCyc02035 2-iodophenol [] C6H5O1I1 219.938508 533-58-4 metacyc NA NA +MetaCyc02036 2-phosphono-3-sulfoproprionate [] C2H5O8P1S1 219.944274 NA metacyc NA NA +C14430 Dichlorvos C4H7Cl2O4P 219.9459 NA KEGG NA NA +MJ009541 Dichlorvos C4H7Cl2O4P 219.9459 NA MeJP NA NA +MJ009542 Mecloralurea C4H7Cl3N2O2 219.95731 NA MeJP NA NA +MJ009543 3,5-Dichloro-4-hydroxybenzoic acid; Me ether C8H6Cl2O3 219.969399 NA MeJP NA NA +MJ009544 2,4-Dichlorophenoxyacetate C8H6Cl2O3 219.969399 NA MeJP NA NA +C03664 2,4-Dichlorophenoxyacetate C8H6Cl2O3 219.9694 NA KEGG NA NA +C13689 m-Benzenesulfonium diazonium chloride C6H5N2O3S 219.9709 NA KEGG NA NA +CJneg0403 Sulfosalicylic acid isomer [(M-H)]- (34S) C7H5O6S034S 219.984825 C18rt(min)=4.8 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0403 Sulfosalicylic acid isomer [(M-H)]- (34S) C7H5O6S034S 219.984825 C18rt(min)=4.8 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +C07647 Phosphoramide mustard C4H11Cl2N2O2P 219.9935 NA KEGG NA NA +C16559 Isophosphamide mustard C4H11Cl2N2O2P 219.9935 NA KEGG NA NA +MJ009545 5-(2-Thienylethynyl)-2-thiophenemethanol C11H8OS2 220.001656 NA MeJP NA NA +CJneg0404 Phenylsulfate/Phenolsulfonic acid [(M-H)+(HCOOH)]- C7H7O6S 220.004725 C18rt(min)=5.33 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0404 Phenylsulfate/Phenolsulfonic acid [(M-H)+(HCOOH)]- C7H7O6S 220.004725 C18rt(min)=5.33 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ009546 4,6-Dichloro-5-methyl-1,3-benzenediol; Di-Me ether C9H10Cl2O2 220.005784 NA MeJP NA NA +MJ009547 Costatolide C9H10Cl2O2 220.005784 NA MeJP NA NA +MJ009548 Fumigatin chlorohydrin C8H9ClO5 220.013851 NA MeJP NA NA +C04115 4-Carboxy-4-hydroxy-2-oxoadipate C7H8O8 220.0219 NA KEGG NA NA +C04116 4-Substituted phenylacetonitrile C8H6NR 220.0219 NA KEGG NA NA +C04117 5'-Phospho-RNA 3'-mononucleotide C10H19O16P3R2 220.0219 NA KEGG NA NA +MJ009549 4-Carboxy-4-hydroxy-2-oxoadipate C7H8O8 220.021917 NA MeJP NA NA +MetaCyc02037 2-hydroxy-4-oxobutane-1,2,4-tricarboxylate [] C7H8O8 220.021917 NA metacyc NA NA +MetaCyc02038 4-oxalocitramalate [4-carboxy-4-hydroxy-2-oxoadipic-acid;γ-oxalocitramalate;] C7H8O8 220.021917 NA metacyc NA NA +MetaCyc02039 4-carboxy-4-hydroxy-2-oxoadipate [4-Hydroxy-4-acetyl-2-oxoglutarate;4-carboxy-4-hydroxy-2-ketoadipate;] C7H8O8 220.021917 NA metacyc NA NA +C01267 3-(Imidazol-4-yl)-2-oxopropyl phosphate C6H9N2O5P 220.0249 NA KEGG NA NA +HMDB12236 Imidazole acetol-phosphate C6H9N2O5P 220.024902 NA HMDB2010 NA NA +MJ009550 3-(Imidazol-4-yl)-2-oxopropyl phosphate C6H9N2O5P 220.024907 NA MeJP NA NA +MetaCyc02040 imidazole acetol-phosphate [imidazole acetol-P;3-(imidazol-4-yl)-2-oxopropyl phosphate;] C6H9N2O5P1 220.024908 99979-59-6 metacyc NA NA +C06586 2,3-Dihydroxy-4'-chlorobiphenyl C12H9ClO2 220.0291 NA KEGG NA NA +C14191 2-Chloro-4,4'-biphenyldiol C12H9ClO2 220.0291 NA KEGG NA NA +MJ009551 2,3-Dihydroxy-4'-chlorobiphenyl C12H9ClO2 220.029107 NA MeJP NA NA +MJ009552 2,7-Dimethyl-1,4-naphthoquinone; 8-Chloro C12H9ClO2 220.029107 NA MeJP NA NA +JH136 Syringic acid [M+Na]+ NA 220.0313 11.87 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH136 Syringic acid [M+Na]+ NA 220.0313 11.87 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH136 Syringic acid [M+Na]+ NA 220.0313 11.87 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH136 Syringic acid [M+Na]+ NA 220.0313 11.87 Inhousejuil11 NA NA +CJneg0405 Hydroxyphenyllactic acid [(M+Cl)]- (37Cl) C9H10Cl037ClO4 220.032225 C18rt(min)=5.22 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0405 Hydroxyphenyllactic acid [(M+Cl)]- (37Cl) C9H10Cl037ClO4 220.032225 C18rt(min)=5.22 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ009553 2,5,8-Trihydroxy-3-methyl-1,4-naphthoquinone C11H8O5 220.037173 NA MeJP NA NA +MJ009554 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Methylene, 5-Me ether C11H8O5 220.037173 NA MeJP NA NA +MJ009555 5-Hydroxy-7,8-methylenedioxycoumarin; Me ether C11H8O5 220.037173 NA MeJP NA NA +MJ009556 6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Methylene, 8-Me ether C11H8O5 220.037173 NA MeJP NA NA +MJ009557 6-Methoxy-7,8-methylenedioxy-2H-1-benzopyran-2-one C11H8O5 220.037173 NA MeJP NA NA +MJ009558 7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid C11H8O5 220.037173 NA MeJP NA NA +MJ009559 7-Hydroxy-2-oxo-2H-1-benzopyran-6-carboxylic acid; Me ether C11H8O5 220.037173 NA MeJP NA NA +MJ009560 Cerberic acid C11H8O5 220.037173 NA MeJP NA NA +MJ009561 Oospoglycol; Ketone C11H8O5 220.037173 NA MeJP NA NA +MJ009562 Sescandelin; 1'-Ketone C11H8O5 220.037173 NA MeJP NA NA +MetaCyc02041 (3E)-4-(2-carboxyphenyl)-2-oxobut-3-enoate [2'-carboxybenzalpyruvate;(3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoate;] C11H8O5 220.037173 NA metacyc NA NA +C01275 (3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate C11H8O5 220.0372 NA KEGG NA NA +C01277 1-Phosphatidyl-1D-myo-inositol 4-phosphate C11H18O16P2R2 220.0372 NA KEGG NA NA +C09964 Purpurogallin C11H8O5 220.0372 NA KEGG NA NA +C16149 (3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate C11H8O5 220.0372 NA KEGG NA NA +C16214 3-[6-(Carboxymethylene)cyclohexa-2,4-dien-1-ylidene]-2-oxopropanate C11H8O5 220.0372 NA KEGG NA NA +MetaCyc02042 thidiazuron [TDZ;] C9H8N4O1S1 220.041882 NA metacyc NA NA +MJ009563 8-Chloro-6-chloromethyl-2-methyl-2,6-octadienal C10H14Cl2O 220.04217 NA MeJP NA NA +MJ009564 Orelline C10H8N2O4 220.048406 NA MeJP NA NA +MJ009565 3-(2-Chloro-3-hydroxybutenylidene)dihydro-4-hydroxy-5-methyl-2(3H)-furanone C9H13ClO4 220.050236 NA MeJP NA NA +MJ009566 Beckerelide; 4-Chloro C9H13ClO4 220.050236 NA MeJP NA NA +MJ009567 Rehmaglutin A; 7-Deoxy, 7?-chloro C9H13ClO4 220.050236 NA MeJP NA NA +C11490 AMCC C7H12N2O4S 220.0518 NA KEGG NA NA +CJneg0406 Mannitol (and isomers) [(M+Cl)]- (37Cl) C6H14Cl037ClO6 220.053325 C18rt(min)=0.85 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0406 Mannitol (and isomers) [(M+Cl)]- (37Cl) C6H14Cl037ClO6 220.053325 C18rt(min)=0.85 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ009568 2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene C12H12O2S 220.0558 NA MeJP NA NA +MJ009569 4-Methylthio-2,4-decadiene-6,8-diynoic acid, Me ester C12H12O2S 220.0558 NA MeJP NA NA +MJ009570 5-Methylthio-2,4-decadiene-6,8-diynoic acid, Me ester C12H12O2S 220.0558 NA MeJP NA NA +MJ009571 7-Methylthio-2,6-decadiene-4,8-diynoic acid; Me ester C12H12O2S 220.0558 NA MeJP NA NA +MJ009572 9-Methylthio-2,8-decadiene-4,6-diynoic acid, Me ester C12H12O2S 220.0558 NA MeJP NA NA +MJ009573 Chrycorin C12H12O2S 220.0558 NA MeJP NA NA +MJ009574 Schmidtiol C12H12O2S 220.0558 NA MeJP NA NA +C16583 (R)-(Homo)2-citrate C8H12O7 220.0583 NA KEGG NA NA +C16597 1-Hydroxypentane-1,2,5-tricarboxylate C8H12O7 220.0583 NA KEGG NA NA +MetaCyc02043 (-)threo-iso(homo)2citrate [(-)threo-1-hydroxy-1,2,5-pentane-tricarboxylic acid;(-)threo-1-hydroxy-1,2,5-pentane-tricarboxylate;] C8H12O7 220.058303 NA metacyc NA NA +MetaCyc02044 (R)-(homo)2citrate [(R)-2-hydroxy-1,2,5-pentanetricarboxylic acid;(R)-2-hydroxy-1,2,5-pentanetricarboxylate;] C8H12O7 220.058303 NA metacyc NA NA +CJpos0574 Biopterin isomer [(M+H)-(NH3)]+ C9H9N4O3 220.059075 C18rt(min)=5.15 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0574 Biopterin isomer [(M+H)-(NH3)]+ C9H9N4O3 220.059075 C18rt(min)=5.15 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ009575 3-[(1-Methylpropyl)dithio]-2-propen-1-ol, Ac C9H16O2S2 220.059171 NA MeJP NA NA +MJ009576 6-(1-Oxopropyl)-2,4(1H,3H)-pteridinedione C9H8N4O3 220.05964 NA MeJP NA NA +MJ009577 6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one C14H8N2O 220.063662 NA MeJP NA NA +MJ009578 Indeno[1,2,3-ij][2,7]naphthyridine; N-Oxide C14H8N2O 220.063662 NA MeJP NA NA +C09098 Canthin-6-one C14H8N2O 220.0637 NA KEGG NA NA +JH168 Trimethoxycinnamic acid (3,4,5-) [M+H-H20]+ NA 220.0652 15.69 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH168 Trimethoxycinnamic acid (3,4,5-) [M+H-H20]+ NA 220.0652 15.69 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH168 Trimethoxycinnamic acid (3,4,5-) [M+H-H20]+ NA 220.0652 15.69 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH168 Trimethoxycinnamic acid (3,4,5-) [M+H-H20]+ NA 220.0652 15.69 Inhousejuil11 NA NA +MJ009579 Brassitin C11H12N2OS 220.067033 NA MeJP NA NA +PJ000054 SD C7H12N2O6 220.0695 NA PeJP NA NA +HMDB11168 L-beta-aspartyl-L-serine C7H12N2O6 220.069534 NA HMDB2010 NA NA +MJ009580 N-(2-Amino-2-carboxyethyl)aspartic acid; L-L-form C7H12N2O6 220.069536 NA MeJP NA NA +MJ009581 1,6-Dihydroxy-5-(hydroxymethyl)-1-methyl-2(1H)-naphthalenone C12H12O4 220.073558 NA MeJP NA NA +MJ009582 2,3-Dihydro-4-hydroxy-3-(1-methylethenyl)-5-benzofurancarboxylic acid C12H12O4 220.073558 NA MeJP NA NA +MJ009583 2,5-Dihydro-9-hydroxy-3-methyl-1-benzoxepin-7-carboxylic acid C12H12O4 220.073558 NA MeJP NA NA +MJ009584 2-Acetyl-4,6-dimethoxybenzofuran C12H12O4 220.073558 NA MeJP NA NA +MJ009585 2-Acetyl-5,6-dimethoxybenzofuran C12H12O4 220.073558 NA MeJP NA NA +MJ009586 2-Decene-4,6-diynedioic acid, Di-Me ester C12H12O4 220.073558 NA MeJP NA NA +MJ009587 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-carboxylic acid C12H12O4 220.073558 NA MeJP NA NA +MJ009588 3,4-Dihydroxy-5-methyl-2H-1-benzopyran-2-one; Di-Me ether C12H12O4 220.073558 NA MeJP NA NA +MJ009589 3,7-Bis(hydroxymethyl)-1-benzoxepin-5(2H)-one C12H12O4 220.073558 NA MeJP NA NA +MJ009590 3-(3,4-Dihydroxy-3-methyl-1-butynyl)-4-hydroxybenzoic acid; 1'-Aldehyde C12H12O4 220.073558 NA MeJP NA NA +MJ009591 3-Ethyl-5,7-dihydroxy-4H-1-benzopyran-4-one; 7-Me ether C12H12O4 220.073558 NA MeJP NA NA +MJ009592 4,5-Dihydroxy-7-methyl-2H-1-benzopyran-2-one; Di-Me ether C12H12O4 220.073558 NA MeJP NA NA +MJ009593 4,7-Dihydroxy-5-methyl-2H-1-benzopyran-2-one; Di-Me ether C12H12O4 220.073558 NA MeJP NA NA +MJ009594 4,8-Dihydroxy-3,5-dimethyl-2H-1-benzopyran-2-one; 4-Me ether C12H12O4 220.073558 NA MeJP NA NA +MJ009595 4,8-Dihydroxy-5-methyl-2H-1-benzopyran-2-one; Di-Me ether C12H12O4 220.073558 NA MeJP NA NA +MJ009596 4-Hydroxy-3-(3-methyl-2-butenoyl)benzoic acid C12H12O4 220.073558 NA MeJP NA NA +MJ009597 5,7-Dihydroxy-2,3-dimethyl-4H-1-benzopyran-4-one; 7-Me ether C12H12O4 220.073558 NA MeJP NA NA +MJ009598 5,7-Dihydroxy-2,6,8-trimethyl-4H-1-benzopyran-4-one C12H12O4 220.073558 NA MeJP NA NA +MJ009599 5,7-Dihydroxy-2,6-dimethyl-4H-1-benzopyran-4-one; 7-Me ether C12H12O4 220.073558 NA MeJP NA NA +MJ009600 5,7-Dihydroxy-2,8-dimethyl-4H-1-benzopyran-4-one; 7-Me ether C12H12O4 220.073558 NA MeJP NA NA +MJ009601 5,7-Dihydroxy-2-isopropyl-4H-1-benzopyran-4-one C12H12O4 220.073558 NA MeJP NA NA +MJ009602 5-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid C12H12O4 220.073558 NA MeJP NA NA +MJ009603 6,8-Dihydroxy-3,4,5-trimethyl-1H-2-benzopyran-1-one C12H12O4 220.073558 NA MeJP NA NA +MJ009604 6,8-Dihydroxy-3,4-dimethyl-1H-2-benzopyran-1-one; 6-Me ether C12H12O4 220.073558 NA MeJP NA NA +MJ009605 6-Hydroxy-5-benzofuranpropanoic acid; Me ester C12H12O4 220.073558 NA MeJP NA NA +MJ009606 Citreopyrones; Citreopyrone A C12H12O4 220.073558 NA MeJP NA NA +MJ009607 Cycloarthropsone C12H12O4 220.073558 NA MeJP NA NA +MJ009608 Differolide C12H12O4 220.073558 NA MeJP NA NA +MJ009609 Diomuscinone C12H12O4 220.073558 NA MeJP NA NA +MJ009610 Hispolone C12H12O4 220.073558 NA MeJP NA NA +MJ009611 Montadial A C12H12O4 220.073558 NA MeJP NA NA +MJ009612 Radianthin C12H12O4 220.073558 NA MeJP NA NA +MJ009613 Radicinol; 3-Deoxy, 4-ketone C12H12O4 220.073558 NA MeJP NA NA +MJ009614 Tubaic acid C12H12O4 220.073558 NA MeJP NA NA +MetaCyc02045 2,6-dioxo-6-phenylhexanoate [] C12H12O4 220.073559 NA metacyc NA NA +C03750 2,6-Dioxo-6-phenylhexanoate C12H12O4 220.0736 NA KEGG NA NA +C09963 Polygonolide C12H12O4 220.0736 NA KEGG NA NA +3173 dipeptidyl-aminopeptidase IV inhibitor MA 220.0774 celiac toxic Inhouse_peptide NA peptide +CJpos0575 Hydroxytryptophan isomer [M+H]+ C11H11O3N2 220.084275 C18rt(min)=4.54 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0576 Hydroxytryptophan isomer [M+H]+ C11H11O3N2 220.084275 C18rt(min)=5.67 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0577 Hydroxytryptophan isomer [M+H]+ C11H11O3N2 220.084275 C18rt(min)=3.07 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0575 Hydroxytryptophan isomer [M+H]+ C11H11O3N2 220.084275 C18rt(min)=4.54 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0576 Hydroxytryptophan isomer [M+H]+ C11H11O3N2 220.084275 C18rt(min)=5.67 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0577 Hydroxytryptophan isomer [M+H]+ C11H11O3N2 220.084275 C18rt(min)=3.07 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +HMDB00472 5-Hydroxy-L-tryptophan C11H12N2O3 220.08479 http://www.hmdb.ca/metabolites/HMDB00472 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00472 5-Hydroxy-L-tryptophan C11H12N2O3 220.08479 http://www.hmdb.ca/metabolites/HMDB00472 HMDB NA NA +HMDB00472 5-Hydroxy-L-tryptophan C11H12N2O3 220.08479 NA ;SYN:2-amino-5-(amino-dimethylamino-methylidene)amino-pentanoate; 2-amino-5-(amino-dimethylamino-methylidene)amino-pentanoic acid; ADMA; NG,NG-Dimethyl-L-arginine; NG,NG-dimethylarginine; NG-dimethylarginine; Asymmetric dimethylarginine; N(omega),N(omega)-dimethyl-L-arginine; Nomega,Nomega'-Dimethyl-L-arginineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00472 5-Hydroxy-L-tryptophan C11H12N2O3 220.08479 http://www.hmdb.ca/metabolites/HMDB00472 PFEM_hmdb_metabocards_blood NA blood +HMDB00472 5-Hydroxy-L-tryptophan C11H12N2O3 220.08479 HMDB00472 PFEM_hmdb_metabocards_official NA NA +MJ009615 5-Hydroxytryptophan C11H12N2O3 220.084792 NA MeJP NA NA +MJ009616 6-Hydroxytryptophan C11H12N2O3 220.084792 NA MeJP NA NA +MJ009617 Bemarinone C11H12N2O3 220.084792 NA MeJP NA NA +MJ009618 Jasminine C11H12N2O3 220.084792 NA MeJP NA NA +MJ009619 5-Hydroxy-L-tryptophan C11H12N2O3 220.084792 NA MeJP NA NA +MetaCyc02046 5-hydroxy-L-tryptophan [D,L-5-hydroxytryptophan;5-HTP;oxytryptophan;oxitriptan;hydroxytryptophan;5-hydroxytryptophan;] C11H12N2O3 220.084792 56-69-9 metacyc NA NA +TEST013 hydroxy-derivatives C11H12N2O3 220.084793 http://www.hmdb.ca/metabolites/HMDB00472 PFEM_hmdb_metabocards_urine NA urine +TEST013 hydroxy-derivatives C11H12N2O3 220.084793 http://www.hmdb.ca/metabolites/HMDB00472 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +TEST013 hydroxy-derivatives C11H12N2O3 220.084793 http://www.hmdb.ca/metabolites/HMDB00472 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +TEST013 hydroxy-derivatives C11H12N2O3 220.084793 http://www.hmdb.ca/metabolites/HMDB00472 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +TEST013 hydroxy-derivatives C11H12N2O3 220.084793 http://www.hmdb.ca/metabolites/HMDB00472 HMDB NA NA +HMDB00472 5-Hydroxy-L-tryptophan C11H12N2O3 220.084793 NA HMDB2010 NA NA +TEST013 hydroxy-derivatives C11H12N2O3 220.084793 http://www.hmdb.ca/metabolites/HMDB00472 Inhouse_PFEM NA NA +TEST013 hydroxy-derivatives C11H12N2O3 220.084793 http://www.hmdb.ca/metabolites/HMDB00472 PFEM_hmdb_metabocards_blood NA blood +TEST013 hydroxy-derivatives C11H12N2O3 220.084793 http://www.hmdb.ca/metabolites/HMDB00472 PFEM_hmdb_metabocards_official NA NA +C00643 5-Hydroxy-L-tryptophan C11H12N2O3 220.0848 NA KEGG NA NA +C01017 5-Hydroxytryptophan C11H12N2O3 220.0848 NA KEGG NA NA +C09985 Jasminine C11H12N2O3 220.0848 NA KEGG NA NA +CJneg0407 Hydroxytryptophan isomer [M-H]- C11H11O3N2 220.085325 C18rt(min)=4.54 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0408 Hydroxytryptophan isomer [M-H]- C11H11O3N2 220.085325 C18rt(min)=5.67 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0409 Hydroxytryptophan isomer [M-H]- C11H11O3N2 220.085325 C18rt(min)=3.07 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0407 Hydroxytryptophan isomer [M-H]- C11H11O3N2 220.085325 C18rt(min)=4.54 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0408 Hydroxytryptophan isomer [M-H]- C11H11O3N2 220.085325 C18rt(min)=5.67 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0409 Hydroxytryptophan isomer [M-H]- C11H11O3N2 220.085325 C18rt(min)=3.07 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +PJ000055 AM C8H16N2O3S 220.0882 NA PeJP NA NA +HMDB13139 1-Hydroxypyrene C16H12O 220.088821 NA HMDB2010 NA NA +MJ009620 9-(2-Thienyl)-4,6-nonadien-8-yn-1-ol; Deoxy, 3-hydroxy, 4,5-dihydro C13H16OS 220.092185 NA MeJP NA NA +7650 ACE inhibitor from red algae MKY 220.0987 MH2+ Inhouse_peptide NA peptide +MJ009621 3-[2-(4-Pyridinyl)ethenyl]-1H-indole C15H12N2 220.100048 NA MeJP NA NA +8056 synthetic peptide RHE 220.1005 MH2+ Inhouse_peptide NA peptide +MJ009622 Morantel C12H16N2S 220.103419 NA MeJP NA NA +MJ009623 Xylazine C12H16N2S 220.103419 NA MeJP NA NA +C01239 N-Acetyl-beta-D-glucosaminylamine C8H16N2O5 220.1059 NA KEGG NA NA +C01240 2',3'-Cyclic nucleotide C5H8O6PR 220.1059 NA KEGG NA NA +C01241 Phosphatidyl-N-methylethanolamine C8H14NO8PR2 220.1059 NA KEGG NA NA +C01242 S-Aminomethyldihydrolipoylprotein C9H19N2OS2R 220.1059 NA KEGG NA NA +PJ000056 TT C8H16N2O5 220.1059 NA PeJP NA NA +MetaCyc02047 N-acetyl-β-glucosaminylamine [] C8H16N2O5 220.105922 NA metacyc NA NA +HMDB01104 N-Acetyl-b-glucosaminylamine C8H16N2O5 220.105927 NA HMDB2010 NA NA +HMDB01104 N-Acetyl-b-glucosaminylamine C8H16N2O5 220.10593 http://www.hmdb.ca/metabolites/HMDB01104 HMDB NA NA +HMDB01104 N-Acetyl-b-glucosaminylamine C8H16N2O5 220.10593 HMDB01104 PFEM_hmdb_metabocards_official NA NA +C09018 Precocene 2 C13H16O3 220.1099 NA KEGG NA NA +C09928 Flossonol C13H16O3 220.1099 NA KEGG NA NA +C12263 1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene C13H16O3 220.1099 NA KEGG NA NA +MJ009624 1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone C13H16O3 220.109944 NA MeJP NA NA +MJ009625 1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-2-buten-1-one; 1''-Alcohol C13H16O3 220.109944 NA MeJP NA NA +MJ009626 10,12-Dihydro-11-hydroxytremetone C13H16O3 220.109944 NA MeJP NA NA +MJ009627 2,2,8-Trimethyl-2H-1-benzopyran-5,6-diol; 5-Me ether C13H16O3 220.109944 NA MeJP NA NA +MJ009628 2,8-Dimethyl-2H-1-benzopyran-5,7-diol, Di-Me ether C13H16O3 220.109944 NA MeJP NA NA +MJ009629 2-(1-Oxopentyl)benzoic acid; Me ester C13H16O3 220.109944 NA MeJP NA NA +MJ009630 2-Hydroxy-2-phenylcyclohexanecarboxylic acid C13H16O3 220.109944 NA MeJP NA NA +MJ009631 2-Hydroxy-5-(1-hydroxyethyl)benzaldehyde; 2-O-(2-Methyl-1-propenyl) C13H16O3 220.109944 NA MeJP NA NA +MJ009632 2-Hydroxyacetophenone; 2,2-Dimethylpropanoyl C13H16O3 220.109944 NA MeJP NA NA +MJ009633 2-Hydroxybenzoic acid; 3-Hexenyl ester (Z-) C13H16O3 220.109944 NA MeJP NA NA +MJ009634 2-Isopropyl-5,6-dimethoxybenzofuran C13H16O3 220.109944 NA MeJP NA NA +MJ009635 2-Methoxy-3-methyl-6-(3-methyl-1,3-pentadienyl)-4H-pyran-4-one C13H16O3 220.109944 NA MeJP NA NA +MJ009636 3-(4-Hydroxy-2-vinylphenyl)propanoic acid; Me ether, Me ester C13H16O3 220.109944 NA MeJP NA NA +MJ009637 4-(1,3-Butadienyl)-1,2-dimethoxybenzene, 5-Methoxy C13H16O3 220.109944 NA MeJP NA NA +MJ009638 4-Hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)acetophenone C13H16O3 220.109944 NA MeJP NA NA +MJ009639 4-Hydroxy-3-(3-methyl-2-butenyl)benzoic acid; Me ester C13H16O3 220.109944 NA MeJP NA NA +MJ009640 4-Hydroxy-3-(4-hydroxy-3-methyl-2-butenyl)acetophenone C13H16O3 220.109944 NA MeJP NA NA +MJ009641 5-Acetyl-2,3-dihydro-2-(1-hydroxyisopropyl)benzofuran C13H16O3 220.109944 NA MeJP NA NA +MJ009642 5-Acetyl-2-(1-hydroxy-1-methylethyl)benzofuran; 1'-Alcohol C13H16O3 220.109944 NA MeJP NA NA +MJ009643 6,7-Dimethoxy-2,2-dimethyl-2H-1-benzopyran C13H16O3 220.109944 NA MeJP NA NA +MJ009644 6,8-Dimethoxy-2,2-dimethyl-2H-1-benzopyran C13H16O3 220.109944 NA MeJP NA NA +MJ009645 6-(2-Hydroxyethyl)-2,2-dimethyl-4-chromanone C13H16O3 220.109944 NA MeJP NA NA +MJ009646 7,8-Dimethoxy-2,2-dimethyl-2H-1-benzopyran C13H16O3 220.109944 NA MeJP NA NA +MJ009647 Cyercene 1 C13H16O3 220.109944 NA MeJP NA NA +MJ009648 Ferdisin C13H16O3 220.109944 NA MeJP NA NA +MJ009649 Flossonol C13H16O3 220.109944 NA MeJP NA NA +MJ009650 Norpterosin C C13H16O3 220.109944 NA MeJP NA NA +MJ009651 Phycopsisenone C13H16O3 220.109944 NA MeJP NA NA +MJ009652 Isaglidole C11H13FN4 220.112424 NA MeJP NA NA +CJpos0578 Pantothenic acid [(M+H)]+ (13C) C813CH18NO5 220.113475 C18rt(min)=4.77 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0578 Pantothenic acid [(M+H)]+ (13C) C813CH18NO5 220.113475 C18rt(min)=4.77 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +EUR478 15ketoProstaglandinF2? F5 F5 220.113825 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR478 15ketoProstaglandinF2? F5 NA 220.113825 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR478 15ketoProstaglandinF2? F5 F5 220.113825 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR478 15ketoProstaglandinF2? F5 NA 220.113825 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR478 15ketoProstaglandinF2? F5 F5 220.113825 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR478 15ketoProstaglandinF2? F5 NA 220.113825 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR478 15ketoProstaglandinF2? F5 F5 220.113825 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR478 15ketoProstaglandinF2? F5 F5 220.113825 standards wishlist analysés sur QTOF HMDB NA NA +EUR478 15ketoProstaglandinF2? F5 F5 220.113825 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR478 15ketoProstaglandinF2? F5 NA 220.113825 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR478 15ketoProstaglandinF2? F5 F5 220.113825 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR478 15ketoProstaglandinF2? F5 F5 220.113825 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJneg0410 Pantothenic acid [(M-H)]- (13C) C813CH16NO5 220.114625 C18rt(min)=4.77 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0410 Pantothenic acid [(M-H)]- (13C) C813CH16NO5 220.114625 C18rt(min)=4.77 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MetaCyc02048 D-1-guanidino-3-amino-1,3-dideoxy-scyllo-inositol [] C7H16N4O4 220.117155 NA metacyc NA NA +C01298 1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol C7H16N4O4 220.1172 NA KEGG NA NA +C01299 Adenylyl-[L-glutamate:ammonia ligase (ADP-forming)] C20H22N7O9PR2 220.1172 NA KEGG NA NA +MJ009653 1,2-Ethanediamine; N-(4-Methoxycinnamoyl)(E-) C12H16N2O2 220.121177 NA MeJP NA NA +MJ009654 Bufotenine; Nb-Oxide C12H16N2O2 220.121177 NA MeJP NA NA +MJ009655 Eltoprazine C12H16N2O2 220.121177 NA MeJP NA NA +C12958 Phenylacetylglycine dimethylamide C12H16N2O2 220.1212 NA KEGG NA NA +MJ009656 1,5-Diphenyl-1,4-pentadiene C17H16 220.1252 NA MeJP NA NA +MJ009657 2-Methyl-6-methylene-1,2,3,7,8-octanepentol C10H20O5 220.131073 NA MeJP NA NA +MJ009658 Nogalose C10H20O5 220.131073 NA MeJP NA NA +MJ009659 Lidamidine C11H16N4O 220.132411 NA MeJP NA NA +C09519 Oblongolide C14H20O2 220.1463 NA KEGG NA NA +C09673 Glutinosone C14H20O2 220.1463 NA KEGG NA NA +MJ009660 1,5-Epoxy-14-nor-11-guaien-10-one C14H20O2 220.146329 NA MeJP NA NA +MJ009661 13-Nor-2-bisabolene-1,11-dione; 9,10-Didehydro C14H20O2 220.146329 NA MeJP NA NA +MJ009662 13-Tetradecene-1,3-diyne-6,7-diol C14H20O2 220.146329 NA MeJP NA NA +MJ009663 15-Nor-1,4-maalianedione C14H20O2 220.146329 NA MeJP NA NA +MJ009664 2-Acetyl-4-hydroxyspiro[5.6]dodeca-1,4-diene C14H20O2 220.146329 NA MeJP NA NA +MJ009665 2-Isopropyl-4-methylphenol; 2-Methylpropanoyl C14H20O2 220.146329 NA MeJP NA NA +MJ009666 2-Isopropyl-5-methylphenol; 2-Methylpropanoyl C14H20O2 220.146329 NA MeJP NA NA +MJ009667 4,9-Dimethyl-2,4,6,8,10-dodecapentaene-1,12-diol C14H20O2 220.146329 NA MeJP NA NA +MJ009668 4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone C14H20O2 220.146329 NA MeJP NA NA +MJ009669 5,9-Epoxy-4-tetradecen-1-yn-3-one C14H20O2 220.146329 NA MeJP NA NA +MJ009670 6-Tetradecene-1,3-diyne-5,8-diol C14H20O2 220.146329 NA MeJP NA NA +MJ009671 7,9-Tetradecadiynoic acid C14H20O2 220.146329 NA MeJP NA NA +MJ009672 ?-Irone, 4-Oxo C14H20O2 220.146329 NA MeJP NA NA +MJ009673 Butibufen C14H20O2 220.146329 NA MeJP NA NA +MJ009674 Davanafuran C14H20O2 220.146329 NA MeJP NA NA +MJ009675 Glutinosone C14H20O2 220.146329 NA MeJP NA NA +MJ009676 Khusitoneol C14H20O2 220.146329 NA MeJP NA NA +MJ009677 Mayurone; 1?,2?-Epoxide C14H20O2 220.146329 NA MeJP NA NA +MJ009678 Muzigaal C14H20O2 220.146329 NA MeJP NA NA +MJ009679 Nortaylorione C14H20O2 220.146329 NA MeJP NA NA +MJ009680 Oblongolide C14H20O2 220.146329 NA MeJP NA NA +MJ009681 Penienone C14H20O2 220.146329 NA MeJP NA NA +MJ009682 Polygonal; 7-Ketone C14H20O2 220.146329 NA MeJP NA NA +MJ009683 Zanthoxylol C14H20O2 220.146329 NA MeJP NA NA +MJ009684 Conolline C13H20N2O 220.157563 NA MeJP NA NA +MJ009685 Jordanine C13H20N2O 220.157563 NA MeJP NA NA +MJ009686 Prilocaine C13H20N2O 220.157563 NA MeJP NA NA +C07531 Prilocaine C13H20N2O 220.1576 NA KEGG NA NA +C03461 2-trans,6-trans-Farnesal C15H24O 220.1827 NA KEGG NA NA +C09719 alpha-Santalol C15H24O 220.1827 NA KEGG NA NA +C09720 beta-Santalol C15H24O 220.1827 NA KEGG NA NA +C14550 4-n-Nonylphenol C15H24O 220.1827 NA KEGG NA NA +C14693 2,6-Di-t-butyl-4-methylphenol C15H24O 220.1827 NA KEGG NA NA +C16908 Caryophyllene epoxide C15H24O 220.1827 NA KEGG NA NA +C16945 Cyperol C15H24O 220.1827 NA KEGG NA NA +C16974 Isocyperol C15H24O 220.1827 NA KEGG NA NA +C17462 Alismol C15H24O 220.1827 NA KEGG NA NA +C17915 Nootkatol C15H24O 220.1827 NA KEGG NA NA +C17953 (5S)-Albaflavenol C15H24O 220.1827 NA KEGG NA NA +C17955 (5R)-Albaflavenol C15H24O 220.1827 NA KEGG NA NA +MJ009687 1(10),11-Eremophiladien-9-ol C15H24O 220.182715 NA MeJP NA NA +MJ009688 1(10),11-Guaiadien-14-ol C15H24O 220.182715 NA MeJP NA NA +MJ009689 1(10),4(15)-Amorphadien-5-ol C15H24O 220.182715 NA MeJP NA NA +MJ009690 1(10),4(15)-Germacradien-6-one C15H24O 220.182715 NA MeJP NA NA +MJ009691 1(10),4(15)-Lepidozadien-5-ol C15H24O 220.182715 NA MeJP NA NA +MJ009692 1(10),4,11-Germacratrien-9-ol C15H24O 220.182715 NA MeJP NA NA +MJ009693 1(10),4,7(11)-Germacratrien-9-ol C15H24O 220.182715 NA MeJP NA NA +MJ009694 1(10),4-Cadinadien-15-ol C15H24O 220.182715 NA MeJP NA NA +MJ009695 1(10),4-Cadinadien-8-ol; 8?-form C15H24O 220.182715 NA MeJP NA NA +MJ009696 1(10),4-Germacradien-6-ol, Ketone C15H24O 220.182715 NA MeJP NA NA +MJ009697 1(10),4-Lepidozadien-15-al, 15-Alcohol C15H24O 220.182715 NA MeJP NA NA +MJ009698 1(10),7(11)-Eremophiladien-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009699 1(10),7(11)-Guaiadien-4-ol C15H24O 220.182715 NA MeJP NA NA +MJ009700 1(10)-Aristolen-4-ol C15H24O 220.182715 NA MeJP NA NA +MJ009701 1(10)-Aromadendren-3-ol C15H24O 220.182715 NA MeJP NA NA +MJ009702 1(10)-Aromadendren-4-ol C15H24O 220.182715 NA MeJP NA NA +MJ009703 1(5),11-Guaiadiene; 1?,5?-Epoxide C15H24O 220.182715 NA MeJP NA NA +MJ009704 1(5)-Aromadendren-7-ol C15H24O 220.182715 NA MeJP NA NA +MJ009705 1,10-Epoxy-11-guaiene C15H24O 220.182715 NA MeJP NA NA +MJ009706 1,10-Epoxy-?-aristolane C15H24O 220.182715 NA MeJP NA NA +MJ009707 1,11-Elemadien-15-al C15H24O 220.182715 NA MeJP NA NA +MJ009708 1,11-Epoxy-10(14)-guaiene C15H24O 220.182715 NA MeJP NA NA +MJ009709 1,11-Guaiadien-10-ol C15H24O 220.182715 NA MeJP NA NA +MJ009710 1,3(15),10-Bisabolatrien-7-ol C15H24O 220.182715 NA MeJP NA NA +MJ009711 1,3(15),10-Bisabolatrien-9-ol C15H24O 220.182715 NA MeJP NA NA +MJ009712 1,3(15),10-Bisabolatriene; 10?,11?-Epoxide C15H24O 220.182715 NA MeJP NA NA +MJ009713 1,3(15),6,11-Farnesatetraen-10-ol C15H24O 220.182715 NA MeJP NA NA +MJ009714 1,3(15),6-Humulatrien-8-one; 6,7-Dihydro C15H24O 220.182715 NA MeJP NA NA +MJ009715 1,3,10-Farnesatrien-5-one C15H24O 220.182715 NA MeJP NA NA +MJ009716 1,3,11-Elematrien-9-ol C15H24O 220.182715 NA MeJP NA NA +MJ009717 1,3,5,10-Farnesatetraen-7-ol C15H24O 220.182715 NA MeJP NA NA +MJ009718 1,3,6-Elematrien-9-ol C15H24O 220.182715 NA MeJP NA NA +MJ009719 1,3-Elemadien-6-ol, 6-Ketone C15H24O 220.182715 NA MeJP NA NA +MJ009720 1,3-Elemadien-6-ol, Ketone, 7-epimer C15H24O 220.182715 NA MeJP NA NA +MJ009721 1,3-Eudesmadien-11-ol C15H24O 220.182715 NA MeJP NA NA +MJ009722 1,4,10-Bisabolatrien-9-ol C15H24O 220.182715 NA MeJP NA NA +MJ009723 1,4,6,10-Farnesatetraen-3-ol C15H24O 220.182715 NA MeJP NA NA +MJ009724 1,4,9-Bisbolatrien-11-ol C15H24O 220.182715 NA MeJP NA NA +MJ009725 1,4-Dimethyl-4-(1-methyl-2-methylenecyclopentyl)cyclohexene, 15-Hydroxy C15H24O 220.182715 NA MeJP NA NA +MJ009726 1,4-Elemadien-6-one C15H24O 220.182715 NA MeJP NA NA +MJ009727 1,5,5,8-Tetramethylbicyclo[4.2.1]non-7-ene-9-acetaldehyde C15H24O 220.182715 NA MeJP NA NA +MJ009728 1,5,7,11-Farnesatetraen-3-ol C15H24O 220.182715 NA MeJP NA NA +MJ009729 1,5,9-Bisabolatrien-11-ol C15H24O 220.182715 NA MeJP NA NA +MJ009730 1,6,9,11-Farnesatetraen-3-ol C15H24O 220.182715 NA MeJP NA NA +MJ009731 1,6-Epoxy-4(15)-eudesmene C15H24O 220.182715 NA MeJP NA NA +MJ009732 1,7-Guaiadien-10-ol C15H24O 220.182715 NA MeJP NA NA +MJ009733 1,8-Epoxy-4-cadinene; 10?-form C15H24O 220.182715 NA MeJP NA NA +MJ009734 1,8-Epoxy-4-cadinene; 10?-form C15H24O 220.182715 NA MeJP NA NA +MJ009735 1,9-Epoxy-2,10-bisaboladiene C15H24O 220.182715 NA MeJP NA NA +MJ009736 1,9-Eremophiladien-11-ol C15H24O 220.182715 NA MeJP NA NA +MJ009737 1-Africanen-6-ol C15H24O 220.182715 NA MeJP NA NA +MJ009738 1-Aromadendren-10-ol C15H24O 220.182715 NA MeJP NA NA +MJ009739 1-Ishwaranol; 1?-form C15H24O 220.182715 NA MeJP NA NA +MJ009740 10(14)-Aromadendren-1-ol C15H24O 220.182715 NA MeJP NA NA +MJ009741 10(14)-Aromadendren-4-ol C15H24O 220.182715 NA MeJP NA NA +MJ009742 10(14)-Aromadendrene, 10?,14-Epoxide C15H24O 220.182715 NA MeJP NA NA +MJ009743 10(14)-Oplopen-3-one C15H24O 220.182715 NA MeJP NA NA +MJ009744 10(14)-Oplopen-4-one C15H24O 220.182715 NA MeJP NA NA +MJ009745 10,11-Epoxy-1,3(15),6-farnesatriene C15H24O 220.182715 NA MeJP NA NA +MJ009746 10,11-Epoxyeremophilane, 1,2-Didehydro C15H24O 220.182715 NA MeJP NA NA +MJ009747 10,15-Epoxylongifolane C15H24O 220.182715 NA MeJP NA NA +MJ009748 10-Cloven-2-ol C15H24O 220.182715 NA MeJP NA NA +MJ009749 10-Epi-?-valerenol C15H24O 220.182715 NA MeJP NA NA +MJ009750 10-Methyl-?-irone C15H24O 220.182715 NA MeJP NA NA +MJ009751 10-Methyl-?-irone C15H24O 220.182715 NA MeJP NA NA +MJ009752 11(13)-Rotunden-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009753 11,12-Epoxy-1(10)-nardosinene C15H24O 220.182715 NA MeJP NA NA +MJ009754 11-Eremophilen-1-one C15H24O 220.182715 NA MeJP NA NA +MJ009755 11-Eremophilen-9-one; 10?-form C15H24O 220.182715 NA MeJP NA NA +MJ009756 12-Cyclocopacamphanol C15H24O 220.182715 NA MeJP NA NA +MJ009757 13-Isothiocyanatocubebane C15H24O 220.182715 NA MeJP NA NA +MJ009758 2(12)-Zizaen-13-ol C15H24O 220.182715 NA MeJP NA NA +MJ009759 2,10-Bisaboladien-1-one C15H24O 220.182715 NA MeJP NA NA +MJ009760 2,11-Acoradien-4-ol C15H24O 220.182715 NA MeJP NA NA +MJ009761 2,11-Cyclo-13-isocomanol C15H24O 220.182715 NA MeJP NA NA +MJ009762 2,3-Epoxy-6,9-humuladiene C15H24O 220.182715 NA MeJP NA NA +MJ009763 2,3-Epoxy-7,10-bisaboladiene C15H24O 220.182715 NA MeJP NA NA +MJ009764 2,6,10-Bisabolatriene, 12-Hydroxy C15H24O 220.182715 NA MeJP NA NA +MJ009765 2,6,10-Bisabolatriene, 2,3-Epoxide C15H24O 220.182715 NA MeJP NA NA +MJ009766 2,6,10-Farnesatrien-1-ol, Aldehyde C15H24O 220.182715 NA MeJP NA NA +MJ009767 2,6,6,8-Tetramethyltricyclo[6.2.1.01,5]undecan-7-ol, Ketone C15H24O 220.182715 NA MeJP NA NA +MJ009768 2,6,9-Humulatrien-1-ol C15H24O 220.182715 NA MeJP NA NA +MJ009769 2,6,9-Humulatrien-14-ol C15H24O 220.182715 NA MeJP NA NA +MJ009770 2,6,9-Humulatrien-15-ol C15H24O 220.182715 NA MeJP NA NA +MJ009771 2,6,9-Humulatrien-8-ol, 6,7-Dihydro, ketone C15H24O 220.182715 NA MeJP NA NA +MJ009772 2,6-Di-tert-butyl-4-methylphenol C15H24O 220.182715 NA MeJP NA NA +MJ009773 2,6-Epoxy-3-himachalene C15H24O 220.182715 NA MeJP NA NA +MJ009774 2,7(14),10-Bisabolatrien-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009775 2,7(14),10-Bisabolatrien-15-ol C15H24O 220.182715 NA MeJP NA NA +MJ009776 2,7(14),10-Bisabolatriene, 10?,11?-Epoxide C15H24O 220.182715 NA MeJP NA NA +MJ009777 2,7(14),9-Bisabolatrien-11-ol C15H24O 220.182715 NA MeJP NA NA +MJ009778 2,7(14),9-Humulatrien-6-ol C15H24O 220.182715 NA MeJP NA NA +MJ009779 2,7(14)-Bisaboladien-10-one C15H24O 220.182715 NA MeJP NA NA +MJ009780 2,7(14)-Himachaladien-15-ol C15H24O 220.182715 NA MeJP NA NA +MJ009781 2,7-Himachaladien-15-ol C15H24O 220.182715 NA MeJP NA NA +MJ009782 2,9-Humuladien-6-one C15H24O 220.182715 NA MeJP NA NA +MJ009783 2-Allohimachalen-6-ol, Ketone C15H24O 220.182715 NA MeJP NA NA +MJ009784 2-Bicyclohumulen-6-one C15H24O 220.182715 NA MeJP NA NA +MJ009785 2-Copacamphanol; 2?-form, Ketone C15H24O 220.182715 NA MeJP NA NA +MJ009786 2-Isocomanone C15H24O 220.182715 NA MeJP NA NA +MJ009787 2-Isocomen-13-ol C15H24O 220.182715 NA MeJP NA NA +MJ009788 2-Isocomen-14-ol C15H24O 220.182715 NA MeJP NA NA +MJ009789 2-Isocomen-9-ol C15H24O 220.182715 NA MeJP NA NA +MJ009790 2-Methyl-4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-2-butenal C15H24O 220.182715 NA MeJP NA NA +MJ009791 2-Modhephen-13-ol C15H24O 220.182715 NA MeJP NA NA +MJ009792 2-Modhephen-8-ol C15H24O 220.182715 NA MeJP NA NA +MJ009793 2-Modhephene; 2?,3?-Epoxide C15H24O 220.182715 NA MeJP NA NA +MJ009794 3(15),6,9-Humulatrien-2-ol C15H24O 220.182715 NA MeJP NA NA +MJ009795 3(15),6-Caryophylladien-1-ol; 1?-form C15H24O 220.182715 NA MeJP NA NA +MJ009796 3(15),6-Caryophylladien-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009797 3(15),6-Caryophylladien-14-oic acid, 14-Alcohol C15H24O 220.182715 NA MeJP NA NA +MJ009798 3(15),6-Caryophylladien-14-oic acid, 6,7-Dihydro, 14-aldehyde C15H24O 220.182715 NA MeJP NA NA +MJ009799 3(15),6-Caryophylladien-4-ol C15H24O 220.182715 NA MeJP NA NA +MJ009800 3(15),6-Caryophylladiene, 3?,15-Epoxide C15H24O 220.182715 NA MeJP NA NA +MJ009801 3(15),7-Caryophylladien-6-ol C15H24O 220.182715 NA MeJP NA NA +MJ009802 3(15)-Africanen-4-ol C15H24O 220.182715 NA MeJP NA NA +MJ009803 3(15)-Africanene; 3?,15-Epoxide C15H24O 220.182715 NA MeJP NA NA +MJ009804 3(15)-Caryophyllen-5-one C15H24O 220.182715 NA MeJP NA NA +MJ009805 3(15)-Cedren-8-ol C15H24O 220.182715 NA MeJP NA NA +MJ009806 3(15)-Cedren-9-ol C15H24O 220.182715 NA MeJP NA NA +MJ009807 3(15)-Gymnomitren-1-ol C15H24O 220.182715 NA MeJP NA NA +MJ009808 3(15)-Gymnomitren-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009809 3(15)-Gymnomitren-4-ol C15H24O 220.182715 NA MeJP NA NA +MJ009810 3(15)-Longifolen-8-ol C15H24O 220.182715 NA MeJP NA NA +MJ009811 3(15)-Longipinen-4-ol C15H24O 220.182715 NA MeJP NA NA +MJ009812 3(15)-Thujopsen-10-ol; 10?-form C15H24O 220.182715 NA MeJP NA NA +MJ009813 3(6)-Sterpuren-1-ol C15H24O 220.182715 NA MeJP NA NA +MJ009814 3,10(14),11-Germacratrien-9-ol C15H24O 220.182715 NA MeJP NA NA +MJ009815 3,10(14)-Acoradien-15-ol C15H24O 220.182715 NA MeJP NA NA +MJ009816 3,10(14)-Acoradien-9-ol C15H24O 220.182715 NA MeJP NA NA +MJ009817 3,10(14)-Guaiadien-11-ol C15H24O 220.182715 NA MeJP NA NA +MJ009818 3,10-Epoxy-4-cadinene C15H24O 220.182715 NA MeJP NA NA +MJ009819 3,11(13)-Eudesmadien-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009820 3,11-Acoradien-15-ol C15H24O 220.182715 NA MeJP NA NA +MJ009821 3,11-Eudesmadien-1-ol C15H24O 220.182715 NA MeJP NA NA +MJ009822 3,11-Eudesmadien-8-ol C15H24O 220.182715 NA MeJP NA NA +MJ009823 3,11-Eudesmadien-9-ol C15H24O 220.182715 NA MeJP NA NA +MJ009824 3,12-Epoxycedrane C15H24O 220.182715 NA MeJP NA NA +MJ009825 3,5,10-Bisabolatrien-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009826 3,5-Eudesmadien-1-ol C15H24O 220.182715 NA MeJP NA NA +MJ009827 3,5-Eudesmadien-11-ol C15H24O 220.182715 NA MeJP NA NA +MJ009828 3,5-Guaiadien-11-ol C15H24O 220.182715 NA MeJP NA NA +MJ009829 3,7(11)-Acoradien-15-ol C15H24O 220.182715 NA MeJP NA NA +MJ009830 3,7(11)-Muuroladien-1-ol C15H24O 220.182715 NA MeJP NA NA +MJ009831 3,7(14)-Caryophylladien-6-ol C15H24O 220.182715 NA MeJP NA NA +MJ009832 3,7,10-Bisabolatrien-2-ol C15H24O 220.182715 NA MeJP NA NA +MJ009833 3,7,11-Trimethyl-2,7,10-dodecatrienal C15H24O 220.182715 NA MeJP NA NA +MJ009834 3-Cedren-12-ol; 11?-form C15H24O 220.182715 NA MeJP NA NA +MJ009835 3-Cedren-15-ol C15H24O 220.182715 NA MeJP NA NA +MJ009836 3-Cedren-9-ol C15H24O 220.182715 NA MeJP NA NA +MJ009837 3-Copaen-8-ol C15H24O 220.182715 NA MeJP NA NA +MJ009838 3-Copaene, 11-Hydroxy C15H24O 220.182715 NA MeJP NA NA +MJ009839 3-Copaene, 15-Hydroxy C15H24O 220.182715 NA MeJP NA NA +MJ009840 3-Eudesmen-6-ol, 6-Ketone C15H24O 220.182715 NA MeJP NA NA +MJ009841 3-Eudesmen-8-one C15H24O 220.182715 NA MeJP NA NA +MJ009842 3-Gymnomitren-15-ol C15H24O 220.182715 NA MeJP NA NA +MJ009843 3-Longipinen-15-ol C15H24O 220.182715 NA MeJP NA NA +MJ009844 3-Methyl-5-(2,3,6-trimethyl-2,5-cyclohexadienyl)-1-penten-3-ol C15H24O 220.182715 NA MeJP NA NA +MJ009845 3-Thujopsen-15-oic acid; 15-Alcohol C15H24O 220.182715 NA MeJP NA NA +MJ009846 4(15),11(13)-Eudesmadien-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009847 4(15),11-Eudesmadien-1-ol C15H24O 220.182715 NA MeJP NA NA +MJ009848 4(15),11-Eudesmadien-14-ol C15H24O 220.182715 NA MeJP NA NA +MJ009849 4(15),11-Eudesmadien-2-ol; 2?-form C15H24O 220.182715 NA MeJP NA NA +MJ009850 4(15),11-Eudesmadien-3-ol; 3?-form C15H24O 220.182715 NA MeJP NA NA +MJ009851 4(15),11-Eudesmadien-5-ol C15H24O 220.182715 NA MeJP NA NA +MJ009852 4(15),5,10(14)-Germacratrien-1-ol C15H24O 220.182715 NA MeJP NA NA +MJ009853 4(15),5,9-Germacratrien-1-ol C15H24O 220.182715 NA MeJP NA NA +MJ009854 4(15),5-Acoradien-3-ol C15H24O 220.182715 NA MeJP NA NA +MJ009855 4(15),7(11)-Eudesmadien-9-ol C15H24O 220.182715 NA MeJP NA NA +MJ009856 4(15),7(11)-Oppositadien-1-ol C15H24O 220.182715 NA MeJP NA NA +MJ009857 4(15),7(11)-Valerenadien-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009858 4(15),7-Eudesmadien-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009859 4(15),7-Eudesmadien-2-ol C15H24O 220.182715 NA MeJP NA NA +MJ009860 4(15)-Copaen-11-ol C15H24O 220.182715 NA MeJP NA NA +MJ009861 4(15)-Cubebene C15H24O 220.182715 NA MeJP NA NA +MJ009862 4(15)-Eudesmen-6-ol, 6-Ketone C15H24O 220.182715 NA MeJP NA NA +MJ009863 4(15)-Eudesmen-9-one C15H24O 220.182715 NA MeJP NA NA +MJ009864 4,10(14)-Cadinadien-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009865 4,10(14)-Cadinadien-2-ol C15H24O 220.182715 NA MeJP NA NA +MJ009866 4,10(14)-Cadinadien-8-ol C15H24O 220.182715 NA MeJP NA NA +MJ009867 4,10(14)-Oplopadien-3-ol C15H24O 220.182715 NA MeJP NA NA +MJ009868 4,11(13)-Cadinadien-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009869 4,11(13)-Eudesmadien-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009870 4,11(13)-Guaiadien-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009871 4,11,11-Trimethyltricyclo[6.3.1.02,5]dodec-6-en-8-ol C15H24O 220.182715 NA MeJP NA NA +MJ009872 4,11-Cadinadien-15-ol C15H24O 220.182715 NA MeJP NA NA +MJ009873 4,11-Eudesmadien-3-ol; 3?-form C15H24O 220.182715 NA MeJP NA NA +MJ009874 4,5-Epoxypatchoulane C15H24O 220.182715 NA MeJP NA NA +MJ009875 4,6-Cadinadiene, 12-Hydroxy C15H24O 220.182715 NA MeJP NA NA +MJ009876 4,6-Guaiadien-10-ol C15H24O 220.182715 NA MeJP NA NA +MJ009877 4,6-Guaiadien-11-ol C15H24O 220.182715 NA MeJP NA NA +MJ009878 4,7(11)-Acoradien-2-ol C15H24O 220.182715 NA MeJP NA NA +MJ009879 4,7(11)-Eudesmadien-8-ol C15H24O 220.182715 NA MeJP NA NA +MJ009880 4,7(11)-Valerenadien-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009881 4,7-Amorphadien-11-ol C15H24O 220.182715 NA MeJP NA NA +MJ009882 4,9-Cyclo-7-daucen-14-ol C15H24O 220.182715 NA MeJP NA NA +MJ009883 4,9-Muuroladien-14-ol C15H24O 220.182715 NA MeJP NA NA +MJ009884 4,9-Muuroladien-15-ol C15H24O 220.182715 NA MeJP NA NA +MJ009885 4,9-Muuroladien-6-ol C15H24O 220.182715 NA MeJP NA NA +MJ009886 4-Acoren-3-one C15H24O 220.182715 NA MeJP NA NA +MJ009887 4-Aromadendren-10-ol C15H24O 220.182715 NA MeJP NA NA +MJ009888 4-Aromadendren-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009889 4-Aromadendren-8-ol C15H24O 220.182715 NA MeJP NA NA +MJ009890 4-Copanol, 11,12-Didehydro C15H24O 220.182715 NA MeJP NA NA +MJ009891 4-Eudesmen-6-one C15H24O 220.182715 NA MeJP NA NA +MJ009892 4-Longipinanone C15H24O 220.182715 NA MeJP NA NA +MJ009893 4-Nonylphenol C15H24O 220.182715 NA MeJP NA NA +MJ009894 4-Patchoulen-15-ol C15H24O 220.182715 NA MeJP NA NA +MJ009895 4-Patchoulen-6-ol C15H24O 220.182715 NA MeJP NA NA +MJ009896 5,10-Epoxy-3-cadinene C15H24O 220.182715 NA MeJP NA NA +MJ009897 5,11-Epoxy-1(10)-bulgarene C15H24O 220.182715 NA MeJP NA NA +MJ009898 5-(1,5-Dimethyl-1,4-hexadienyl)-2-ethenyltetrahydro-2-methylfuran C15H24O 220.182715 NA MeJP NA NA +MJ009899 5-(2,2-Dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadien-1-ol C15H24O 220.182715 NA MeJP NA NA +MJ009900 5-Silphiperfolanone C15H24O 220.182715 NA MeJP NA NA +MJ009901 5-Silphiperfolen-3-ol C15H24O 220.182715 NA MeJP NA NA +MJ009902 6(13)-Zizaen-12-ol; 2à H-form C15H24O 220.182715 NA MeJP NA NA +MJ009903 6(13)-Zizaen-3-ol; 3?-form C15H24O 220.182715 NA MeJP NA NA +MJ009904 6,10(14)-Guaiadien-4-ol C15H24O 220.182715 NA MeJP NA NA +MJ009905 6,10-Epoxy-3-cuparene C15H24O 220.182715 NA MeJP NA NA +MJ009906 6,10-Epoxy-7(14)-isodaucene C15H24O 220.182715 NA MeJP NA NA +MJ009907 6,11-Epoxy-4-acorene C15H24O 220.182715 NA MeJP NA NA +MJ009908 6,11-Guaiadien-4-ol C15H24O 220.182715 NA MeJP NA NA +MJ009909 6,12-Epoxy-1,3-elemadiene C15H24O 220.182715 NA MeJP NA NA +MJ009910 6,12-Epoxy-4-spiroaxene C15H24O 220.182715 NA MeJP NA NA +MJ009911 6,7-Epoxy-2,9-humuladiene C15H24O 220.182715 NA MeJP NA NA +MJ009912 6,7-Epoxy-3(15)-caryophyllene C15H24O 220.182715 NA MeJP NA NA +MJ009913 6,8-Cyclo-4(14)-eudesmen-1-ol C15H24O 220.182715 NA MeJP NA NA +MJ009914 6,9,12-Pentadecatrien-2-one C15H24O 220.182715 NA MeJP NA NA +MJ009915 6,9-Guaiadien-4-ol C15H24O 220.182715 NA MeJP NA NA +MJ009916 6-Caryophyllen-15-al C15H24O 220.182715 NA MeJP NA NA +MJ009917 6-Eudesmen-12-al C15H24O 220.182715 NA MeJP NA NA +MJ009918 7(11)-Eremophilen-8-one C15H24O 220.182715 NA MeJP NA NA +MJ009919 7(14)-Isodaucen-10-one C15H24O 220.182715 NA MeJP NA NA +MJ009920 7(14)-Isodaucen-6-ol; 6-Ketone C15H24O 220.182715 NA MeJP NA NA +MJ009921 7,9-Nardosinadien-11-ol C15H24O 220.182715 NA MeJP NA NA +MJ009922 7-Protoilluden-6-ol C15H24O 220.182715 NA MeJP NA NA +MJ009923 8(12)-Drimen-11-ol, 11-Aldehyde C15H24O 220.182715 NA MeJP NA NA +MJ009924 8(14),11-Daucadien-9-ol; 9?-form C15H24O 220.182715 NA MeJP NA NA +MJ009925 8,11,13-Pentadecatrien-2-one C15H24O 220.182715 NA MeJP NA NA +MJ009926 8,11-Daucadien-14-ol C15H24O 220.182715 NA MeJP NA NA +MJ009927 8,11-Daucadien-4-ol C15H24O 220.182715 NA MeJP NA NA +MJ009928 8,12-Epoxy-4-cadinone C15H24O 220.182715 NA MeJP NA NA +MJ009929 8-Drimen-11-al C15H24O 220.182715 NA MeJP NA NA +MJ009930 8-Drimen-7-one C15H24O 220.182715 NA MeJP NA NA +MJ009931 8-Hydroxybicyclogermacrene; 8?-form C15H24O 220.182715 NA MeJP NA NA +MJ009932 9(12)-Capnellen-8-ol C15H24O 220.182715 NA MeJP NA NA +MJ009933 9,10-Epoxy-2,6-humuladiene C15H24O 220.182715 NA MeJP NA NA +MJ009934 9,10-Epoxy-4-muurolene C15H24O 220.182715 NA MeJP NA NA +MJ009935 9,11-Eremophiladien-8-ol C15H24O 220.182715 NA MeJP NA NA +MJ009936 9-Aristolen-1-ol; 1?-form C15H24O 220.182715 NA MeJP NA NA +MJ009937 9-Aristolen-8-ol C15H24O 220.182715 NA MeJP NA NA +MJ009938 9-Oplopen-4-one C15H24O 220.182715 NA MeJP NA NA +MJ009939 ?-Santala-3(15),10-dien-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009940 Acanthodoral C15H24O 220.182715 NA MeJP NA NA +MJ009941 Bazzanenol C15H24O 220.182715 NA MeJP NA NA +MJ009942 Bicyclogermacren-3-ol C15H24O 220.182715 NA MeJP NA NA +MJ009943 Bicyclolaurencenol C15H24O 220.182715 NA MeJP NA NA +MJ009944 Bisabolene oxide C15H24O 220.182715 NA MeJP NA NA +MJ009945 Cabreuva oxide C15H24O 220.182715 NA MeJP NA NA +MJ009946 Calacone C15H24O 220.182715 NA MeJP NA NA +MJ009947 Campherenol; 2-Ketone C15H24O 220.182715 NA MeJP NA NA +MJ009948 Cyclomyltaylan-3-ol C15H24O 220.182715 NA MeJP NA NA +MJ009949 Cyclomyltaylan-6-ol; 6?-form C15H24O 220.182715 NA MeJP NA NA +MJ009950 Cyclomyltaylenol C15H24O 220.182715 NA MeJP NA NA +MJ009951 Dactylenol C15H24O 220.182715 NA MeJP NA NA +MJ009952 Dactyloxene A C15H24O 220.182715 NA MeJP NA NA +MJ009953 Dactyloxene B C15H24O 220.182715 NA MeJP NA NA +MJ009954 Dactyloxene D C15H24O 220.182715 NA MeJP NA NA +MJ009955 Euphanginol C15H24O 220.182715 NA MeJP NA NA +MJ009956 Indipone C15H24O 220.182715 NA MeJP NA NA +MJ009957 Isoacanthodoral C15H24O 220.182715 NA MeJP NA NA +MJ009958 Isohimachalone C15H24O 220.182715 NA MeJP NA NA +MJ009959 Isohumbertiol C15H24O 220.182715 NA MeJP NA NA +MJ009960 Lemnalol C15H24O 220.182715 NA MeJP NA NA +MJ009961 Myltaylenol C15H24O 220.182715 NA MeJP NA NA +MJ009962 Nanaimoal C15H24O 220.182715 NA MeJP NA NA +MJ009963 Oreodaphnenol C15H24O 220.182715 NA MeJP NA NA +MJ009964 Pardalianchol C15H24O 220.182715 NA MeJP NA NA +MJ009965 Perforenone; 2?-Alcohol C15H24O 220.182715 NA MeJP NA NA +MJ009966 Perforenone; 2?-Alcohol C15H24O 220.182715 NA MeJP NA NA +MJ009967 Precarabrone C15H24O 220.182715 NA MeJP NA NA +MJ009968 Salsolene ketone C15H24O 220.182715 NA MeJP NA NA +MJ009969 Salsolene oxide C15H24O 220.182715 NA MeJP NA NA +MJ009970 Senecrassidiol; Dideoxy, 3,4-didehydro, 5?-hydroxy C15H24O 220.182715 NA MeJP NA NA +MJ009971 Sesquicineol; 1,2-Didehydro C15H24O 220.182715 NA MeJP NA NA +MJ009972 Stachynone C15H24O 220.182715 NA MeJP NA NA +MJ009973 Striatenone C15H24O 220.182715 NA MeJP NA NA +MJ009974 Tremuladienol C15H24O 220.182715 NA MeJP NA NA +MJ009975 Waitziacuminone C15H24O 220.182715 NA MeJP NA NA +MJ009976 ?-Agarofuran C15H24O 220.182715 NA MeJP NA NA +MJ009977 ?-Bergamotenol C15H24O 220.182715 NA MeJP NA NA +MJ009978 ?-Santal-10-en-12-ol C15H24O 220.182715 NA MeJP NA NA +MJ009979 ?-Santal-10-ene; Epoxide C15H24O 220.182715 NA MeJP NA NA +MJ009980 ?-Santal-11-en-10-ol C15H24O 220.182715 NA MeJP NA NA +MJ009981 ?-Santal-9-en-11-ol C15H24O 220.182715 NA MeJP NA NA +MJ009982 ?-Santalan-10-one C15H24O 220.182715 NA MeJP NA NA +MetaCyc02049 2-transS6-trans-farnesal [] C15H24O1 220.182715 NA metacyc NA NA +MetaCyc02050 3-deoxy-capsidiol [1β-hydroxy-5-epiaristolochene;] C15H24O1 220.182715 NA metacyc NA NA +MetaCyc02051 1-deoxy-capsidiol [3α-hydroxy-5-epiaristolochene;] C15H24O1 220.182715 NA metacyc NA NA +MetaCyc02052 dihydroartemisinic aldehyde [] C15H24O1 220.182715 NA metacyc NA NA +MetaCyc02053 artemisinic alcohol [] C15H24O1 220.182715 NA metacyc NA NA +MJ009983 11-Epileontidane C14H24N2 220.193948 NA MeJP NA NA +MJ009984 Angustifoline, Deoxo C14H24N2 220.193948 NA MeJP NA NA +MJ009985 13,14,15,16-Tetranor-4(18)-clerodene; ent-form C16H28 220.2191 NA MeJP NA NA +MJ009986 13,14,15,16-Tetranor-7-labdene; ent-form C16H28 220.2191 NA MeJP NA NA +3307 NA PYY 220.589 MH2+ Inhouse_peptide NA peptide +3785 NA YYP 220.589 MH2+ Inhouse_peptide NA peptide +CJneg0411 Phenylsulfate/Phenolsulfonic acid [(M-H)+(HCOOH)]- (13C) C613CH7O6S 221.008025 C18rt(min)=5.33 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0411 Phenylsulfate/Phenolsulfonic acid [(M-H)+(HCOOH)]- (13C) C613CH7O6S 221.008025 C18rt(min)=5.33 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ009987 2-(2-Hydroxyphenyl)-4-thiazolecarboxylic acid C10H7NO3S 221.014663 NA MeJP NA NA +MJ009988 5-Chloro-8-hydroxyquinoline; Ac C11H8ClNO2 221.024356 NA MeJP NA NA +MJ009989 Ciproximide C11H8ClNO2 221.024356 NA MeJP NA NA +C01111 7,8-Dihydroxykynurenate C10H7NO5 221.0324 NA KEGG NA NA +MJ009990 7,8-Dihydroxykynurenate C10H7NO5 221.032422 NA MeJP NA NA +MJ009991 3-Amino-6,7-dihydroxy-2H-1-benzopyran-2-oneyl C10H7NO5 221.032422 NA MeJP NA NA +MJ009992 4,5,8-Trihydroxy-2-quinolinecarboxylic acid C10H7NO5 221.032422 NA MeJP NA NA +MetaCyc02054 7,8-dihydroxykynurenate [] C10H7N1O5 221.032422 NA metacyc NA NA +HMDB02135 S-(3-oxo-3-carboxy-n-propyl)cysteine C7H11NO5S 221.035797 NA HMDB2010 NA NA +HMDB02135 S-(3-oxo-3-carboxy-n-propyl)cysteine C7H11NO5S 221.0358 http://www.hmdb.ca/metabolites/HMDB02135 HMDB NA NA +HMDB02135 S-(3-oxo-3-carboxy-n-propyl)cysteine C7H11NO5S 221.0358 HMDB02135 PFEM_hmdb_metabocards_official NA NA +MJ009993 Chlorazanil C9H8ClN5 221.046822 NA MeJP NA NA +MJ009994 2-Isothiocyanato-1-propanol; Benzoyl C11H11NO2S 221.051049 NA MeJP NA NA +MJ009995 3-Isothiocyanato-1-propanol; Benzoyl C11H11NO2S 221.051049 NA MeJP NA NA +MJ009996 2-Amino-2-deoxygalacturonic acid, N-Formyl C7H11NO7 221.053551 NA MeJP NA NA +MJ009997 2-Hydroxy-2-(hydroxyaminocarbonyl)-3-methylpentanedioic acid C7H11NO7 221.053551 NA MeJP NA NA +MJ009998 4-Amino-2-hydroxy-1,2,4-butanetricarboxylic acid C7H11NO7 221.053551 NA MeJP NA NA +C01100 L-Histidinol phosphate C6H12N3O4P 221.0565 NA KEGG NA NA +MJ009999 Dimethyl N2-creatininylphosphate C6H12N3O4P 221.056542 NA MeJP NA NA +MJ010000 L-Histidinol phosphate C6H12N3O4P 221.056542 NA MeJP NA NA +MetaCyc02055 L-histidinol-phosphate [L-histidinol-phosphate;histidinol-P;L-histidinol-p;histidinol-phosphate;] C6H12N3O4P1 221.056542 25679-93-0 metacyc NA NA +C10909 Methabenzthiazuron C10H11N3OS 221.0623 NA KEGG NA NA +C05657 6-Hydroxyindolelactate C11H11NO4 221.0688 NA KEGG NA NA +MJ010001 6-Hydroxyindolelactate C11H11NO4 221.068807 NA MeJP NA NA +MJ010002 1-Amino-2,3-dihydro-1H-indene-1,5-dicarboxylic acid C11H11NO4 221.068807 NA MeJP NA NA +MJ010003 2,3-Dihydro-3-hydroxy-2-oxo-1H-indole-3-acetic acid; Me ester C11H11NO4 221.068807 NA MeJP NA NA +MJ010004 4,5-Dihydro-2-(2-hydroxyphenyl)-4-oxazolecarboxylic acid, Me ester C11H11NO4 221.068807 NA MeJP NA NA +MJ010005 5,6-Dimethoxy-N-methylphthalimide C11H11NO4 221.068807 NA MeJP NA NA +MJ010006 5-Hydroxy-2-oxo-1H-indole-3-acetic acid; Me ester C11H11NO4 221.068807 NA MeJP NA NA +MJ010007 Isovalthine C8H15NO4S 221.072178 NA MeJP NA NA +MJ010008 3-(4-Hydroxyphenyl)quinoline C15H11NO 221.084063 NA MeJP NA NA +MJ010009 4-Methyl-10H-furo[3,2-a]carbazole C15H11NO 221.084063 NA MeJP NA NA +MJ010010 9-Methyl-6H-furo[2,3-c]carbazole C15H11NO 221.084063 NA MeJP NA NA +3582 NA YGGF 221.0865 MH2+ Inhouse_peptide NA peptide +MJ010011 Sinharine C12H15NOS 221.087434 NA MeJP NA NA +CJpos0579 Hydroxytryptophan isomer [M+H]+ (13C) C10[13]CH11O3N2 221.087575 C18rt(min)=4.54 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0580 Hydroxytryptophan isomer [M+H]+ (13C) C10[13]CH11O3N2 221.087575 C18rt(min)=5.67 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0581 Hydroxytryptophan isomer [M+H]+ (13C) C10[13]CH11O3N2 221.087575 C18rt(min)=3.07 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0579 Hydroxytryptophan isomer [M+H]+ (13C) C10[13]CH11O3N2 221.087575 C18rt(min)=4.54 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0580 Hydroxytryptophan isomer [M+H]+ (13C) C10[13]CH11O3N2 221.087575 C18rt(min)=5.67 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0581 Hydroxytryptophan isomer [M+H]+ (13C) C10[13]CH11O3N2 221.087575 C18rt(min)=3.07 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJneg0412 Hydroxytryptophan isomer [M-H]- (13C) C10[13]CH11O3N2 221.088725 C18rt(min)=4.54 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0413 Hydroxytryptophan isomer [M-H]- (13C) C10[13]CH11O3N2 221.088725 C18rt(min)=5.67 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0414 Hydroxytryptophan isomer [M-H]- (13C) C10[13]CH11O3N2 221.088725 C18rt(min)=3.07 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0412 Hydroxytryptophan isomer [M-H]- (13C) C10[13]CH11O3N2 221.088725 C18rt(min)=4.54 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0413 Hydroxytryptophan isomer [M-H]- (13C) C10[13]CH11O3N2 221.088725 C18rt(min)=5.67 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0414 Hydroxytryptophan isomer [M-H]- (13C) C10[13]CH11O3N2 221.088725 C18rt(min)=3.07 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +C00140 N-Acetyl-D-glucosamine C8H15NO6 221.0899 NA KEGG NA NA +C00645 N-Acetyl-D-mannosamine C8H15NO6 221.0899 NA KEGG NA NA +C01132 N-Acetyl-D-galactosamine C8H15NO6 221.0899 NA KEGG NA NA +C02711 N-Acetylhexosamine C8H15NO6 221.0899 NA KEGG NA NA +C03136 N-Acetyl-D-hexosamine C8H15NO6 221.0899 NA KEGG NA NA +C03878 N-Acetyl-beta-D-glucosamine C8H15NO6 221.0899 NA KEGG NA NA +C03879 N-Acetyl-beta-D-hexosaminide C8H14NO6R 221.0899 NA KEGG NA NA +C03880 N-Substituted aminoacyl-tRNA C13H18NO12PR4 221.0899 NA KEGG NA NA +C03881 N-Tetradecanoylglycylpeptide C16H31NO3 221.0899 NA KEGG NA NA +C05021 N-Acetyl-beta-D-galactosamine C8H15NO6 221.0899 NA KEGG NA NA +HMDB00212 N-Acetylgalactosamine C8H15NO6 221.089935 NA HMDB2010 NA NA +HMDB00215 N-Acetyl-D-glucosamine C8H15NO6 221.089935 NA HMDB2010 NA NA +HMDB00803 Beta-N-Acetylglucosamine C8H15NO6 221.089935 NA HMDB2010 NA NA +HMDB00853 N-Acetyl-b-D-galactosamine C8H15NO6 221.089935 NA HMDB2010 NA NA +HMDB01129 N-Acetylmannosamine C8H15NO6 221.089935 NA HMDB2010 NA NA +HMDB11744 N-Acetyl-D-mannosamine C8H15NO6 221.089935 NA HMDB2010 NA NA +MJ010012 N-Acetyl-D-glucosamine C8H15NO6 221.089937 NA MeJP NA NA +MJ010013 N-Acetyl-D-mannosamine C8H15NO6 221.089937 NA MeJP NA NA +MJ010014 2-Acetamido-2-deoxyglucose C8H15NO6 221.089937 NA MeJP NA NA +MJ010015 2-Amino-2-deoxygalactose, N-Ac C8H15NO6 221.089937 NA MeJP NA NA +MJ010016 Avenic acid B C8H15NO6 221.089937 NA MeJP NA NA +MetaCyc02056 N-acetylmannosamine [N-acetyl-D-mannosamine;] C8H15N1O6 221.089937 3615-17-6 metacyc NA NA +MetaCyc02057 N-acetyl-D-glucosamine [NAcGlc;N-acetylglucosamine;] C8H15N1O6 221.089937 7512-17-6 metacyc NA NA +MetaCyc02058 N-acetyl-D-galactosamine [N-acetylgalactosamine;acetylgalactosamine;2-acetamido-2-deoxy-D-galactopyranose;2-acetamido-2-deoxy-D-galactose;N-acetyl-D-chondrosamine;α-D-galactopyranose, 2-(acetylamino)-2-deoxy-;] C8H15N1O6 221.089937 31022-50-1 metacyc NA NA +HMDB00215 N-Acetyl-D-glucosamine C8H15NO6 221.08994 http://www.hmdb.ca/metabolites/HMDB00215 PFEM_hmdb_metabocards_urine NA urine +HMDB00215 N-Acetyl-D-glucosamine C8H15NO6 221.08994 http://www.hmdb.ca/metabolites/HMDB00215 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00215 N-Acetyl-D-glucosamine C8H15NO6 221.08994 http://www.hmdb.ca/metabolites/HMDB00215 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00212 N-Acetylgalactosamine C8H15NO6 221.08994 http://www.hmdb.ca/metabolites/HMDB00212 HMDB NA NA +HMDB00215 N-Acetyl-D-glucosamine C8H15NO6 221.08994 http://www.hmdb.ca/metabolites/HMDB00215 HMDB NA NA +HMDB00803 beta-N-Acetylglucosamine C8H15NO6 221.08994 http://www.hmdb.ca/metabolites/HMDB00803 HMDB NA NA +HMDB00853 N-Acetyl-b-D-galactosamine C8H15NO6 221.08994 http://www.hmdb.ca/metabolites/HMDB00853 HMDB NA NA +HMDB01129 N-Acetylmannosamine C8H15NO6 221.08994 http://www.hmdb.ca/metabolites/HMDB01129 HMDB NA NA +HMDB00212 N-Acetylgalactosamine C8H15NO6 221.08994 HMDB00212 PFEM_hmdb_metabocards_official NA NA +HMDB00215 N-Acetyl-D-glucosamine C8H15NO6 221.08994 HMDB00215 PFEM_hmdb_metabocards_official NA NA +HMDB00803 beta-N-Acetylglucosamine C8H15NO6 221.08994 HMDB00803 PFEM_hmdb_metabocards_official NA NA +HMDB00853 N-Acetyl-b-D-galactosamine C8H15NO6 221.08994 HMDB00853 PFEM_hmdb_metabocards_official NA NA +HMDB01129 N-Acetylmannosamine C8H15NO6 221.08994 HMDB01129 PFEM_hmdb_metabocards_official NA NA +CJpos0582 Theobromine [(M+H)+(CH3CN)]+ C9H12N5O2 221.090775 C18rt(min)=4.79 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0582 Theobromine [(M+H)+(CH3CN)]+ C9H12N5O2 221.090775 C18rt(min)=4.79 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB00389 2'-Deoxysepiapterin C9H11N5O2 221.09126 http://www.hmdb.ca/metabolites/HMDB00389 HMDB NA NA +HMDB00389 2'-Deoxysepiapterin C9H11N5O2 221.09126 HMDB00389 PFEM_hmdb_metabocards_official NA NA +MJ010017 2-Amino-4,7-dihydroxypteridine, Me ether, 1,3-di-Me C9H11N5O2 221.091274 NA MeJP NA NA +MJ010018 6-Acetylhomopterin C9H11N5O2 221.091274 NA MeJP NA NA +MJ010019 Sepiapterin, Deoxy C9H11N5O2 221.091274 NA MeJP NA NA +MetaCyc02059 a pyrimidodiazepine [PDA;2-amino-4-oxo-6-acetyl-7,8-dihydro-3H,9H-pyrimido[4,5-b]-[1,4]diazepine;] C9H11N5O2 221.091275 NA metacyc NA NA +HMDB00389 2'-Deoxysepiapterin C9H11N5O2 221.091278 NA HMDB2010 NA NA +C02587 Pyrimidodiazepine C9H11N5O2 221.0913 NA KEGG NA NA +MJ010020 Neptamustine C8H16ClN3O2 221.093104 NA MeJP NA NA +JH156 N-acetyl-D-glucosamine [M+H]+ C8H15NO6 221.0975 Rtobs1.39 PFEM_hmdb_metabocards_urine NA urine +JH156 N-acetyl-D-glucosamine [M+H]+ C8H15NO6 221.0975 1.39 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH156 N-acetyl-D-glucosamine [M+H]+ C8H15NO6 221.0975 Rtobs1.39 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH156 N-acetyl-D-glucosamine [M+H]+ C8H15NO6 221.0975 1.39 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH156 N-acetyl-D-glucosamine [M+H]+ C8H15NO6 221.0975 Rtobs1.39 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH156 N-acetyl-D-glucosamine [M+H]+ C8H15NO6 221.0975 1.39 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH156 N-acetyl-D-glucosamine [M+H]+ C8H15NO6 221.0975 Rtobs1.39 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH156 N-acetyl-D-glucosamine [M+H]+ C8H15NO6 221.0975 Rtobs1.39 HMDB NA NA +JH156 N-acetyl-D-glucosamine [M+H]+ C8H15NO6 221.0975 Rtobs1.39 Inhouse_PFEM NA NA +JH156 N-acetyl-D-glucosamine [M+H]+ C8H15NO6 221.0975 1.39 Inhousejuil11 NA NA +JH156 N-acetyl-D-glucosamine [M+H]+ C8H15NO6 221.0975 Rtobs1.39 PFEM_hmdb_metabocards_blood NA blood +JH156 N-acetyl-D-glucosamine [M+H]+ C8H15NO6 221.0975 Rtobs1.39 PFEM_hmdb_metabocards_official NA NA +8062 synthetic peptide RHM 221.0997 MH2+ Inhouse_peptide NA peptide +MetaCyc02060 1-guanidino-1-deoxy-scyllo-inositol [] C7H15N3O5 221.101171 NA metacyc NA NA +C04280 1-Guanidino-1-deoxy-scyllo-inositol C7H15N3O5 221.1012 NA KEGG NA NA +MJ010021 3,4-Dihydro-6,7-dihydroxy-1(2H)-isoquinolinone; Di-Me ether, N-Me C12H15NO3 221.105193 NA MeJP NA NA +MJ010022 3,4-Dihydro-8-hydroxy-6,7-dimethoxy-1-methylisoquinoline C12H15NO3 221.105193 NA MeJP NA NA +MJ010023 3,4-Dihydro-8-hydroxy-6,7-dimethoxyisoquinoline; N-Me, inner salt C12H15NO3 221.105193 NA MeJP NA NA +MJ010024 4-(1H-Indol-3-yl)-1,2,3-butanetriol C12H15NO3 221.105193 NA MeJP NA NA +MJ010025 5,6,7-Isoquinolinetriol; 5,6,7-Tri-Me ether, 3,4-dihydro C12H15NO3 221.105193 NA MeJP NA NA +MJ010026 Anhalonine C12H15NO3 221.105193 NA MeJP NA NA +MJ010027 Fluggeainol C12H15NO3 221.105193 NA MeJP NA NA +MJ010028 Hydrocotarnine C12H15NO3 221.105193 NA MeJP NA NA +MJ010029 Metaxalone C12H15NO3 221.105193 NA MeJP NA NA +MJ010030 N-(2-Hydroxyethyl)cinnamamide; N-Me, 4-hydroxy C12H15NO3 221.105193 NA MeJP NA NA +MJ010031 Phenylalanine, N-Ac, Me ester C12H15NO3 221.105193 NA MeJP NA NA +C07934 Metaxalone C12H15NO3 221.1052 NA KEGG NA NA +C14291 Carbofuran C12H15NO3 221.1052 NA KEGG NA NA +CJpos0583 Pantothenic acid [(M+H)]+ (18O) C9H18NO418O 221.114375 C18rt(min)=4.77 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0583 Pantothenic acid [(M+H)]+ (18O) C9H18NO418O 221.114375 C18rt(min)=4.77 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +C13737 Dizocilpine C16H15N 221.1204 NA KEGG NA NA +MJ010032 Dizocilpine C16H15N 221.120449 NA MeJP NA NA +HMDB12215 Dihydrozeatin C10H15N5O 221.127655 NA HMDB2010 NA NA +MJ010033 6-(4-Hydroxy-3-methylbutylamino)purine C10H15N5O 221.12766 NA MeJP NA NA +MJ010034 Heteromine C; N2,N2-Di-Me C10H16N5O(+) 221.12766 NA MeJP NA NA +MetaCyc02061 dihydrozeatin [2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine;] C10H15N5O1 221.12766 23599-75-9 metacyc NA NA +C02029 Dihydrozeatin C10H15N5O 221.1277 NA KEGG NA NA +MJ010035 1,2,3,4-Tetrahydro-6,7-dimethoxy-1,2-dimethylisoquinoline C13H19NO2 221.141578 NA MeJP NA NA +MJ010036 1,2,3,4-Tetrahydro-7,8-dimethoxy-1,2-dimethylisoquinoline C13H19NO2 221.141578 NA MeJP NA NA +MJ010037 1,2,3,4-Tetrahydro-8-hydroxy-6-methoxy-1,2,3-trimethylisoquinoline C13H19NO2 221.141578 NA MeJP NA NA +MJ010038 2-Amino-2-phenylacetic acid, 3-Methylbutyl ester C13H19NO2 221.141578 NA MeJP NA NA +MJ010039 4-(2-Aminoethyl)phenol; N-(2-Methylbutanoyl) C13H19NO2 221.141578 NA MeJP NA NA +MJ010040 7-Hydroxy-1-methylenepyrrolizidine, Angeloyl C13H19NO2 221.141578 NA MeJP NA NA +MJ010041 Axinellamide C13H19NO2 221.141578 NA MeJP NA NA +MJ010042 Butamoxane C13H19NO2 221.141578 NA MeJP NA NA +MJ010043 Darlingine; 2,3-Dihydro C13H19NO2 221.141578 NA MeJP NA NA +MJ010044 Darlingine; 5,11-Dihydro C13H19NO2 221.141578 NA MeJP NA NA +MJ010045 Dioscorine C13H19NO2 221.141578 NA MeJP NA NA +MJ010046 Exalamide C13H19NO2 221.141578 NA MeJP NA NA +MJ010047 Ibuproxam C13H19NO2 221.141578 NA MeJP NA NA +MJ010048 Ifoxetine C13H19NO2 221.141578 NA MeJP NA NA +MJ010049 Luciduline, 11-Oxo C13H19NO2 221.141578 NA MeJP NA NA +MJ010050 Pinnamine C13H19NO2 221.141578 NA MeJP NA NA +MJ010051 Sedamine, 3R-Hydroxy, N-de-Me C13H19NO2 221.141578 NA MeJP NA NA +MJ010052 Sediene C13H19NO2 221.141578 NA MeJP NA NA +MJ010053 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinoline; N-Me C13H20NO2(+) 221.141578 NA MeJP NA NA +C09375 (+-)-Carnegine C13H19NO2 221.1416 NA KEGG NA NA +C10142 Dioscorine C13H19NO2 221.1416 NA KEGG NA NA +MJ010054 9-(Methylsulfonyl)nonylamine C10H23NO2S 221.144949 NA MeJP NA NA +C07402 Procarbazine C12H19N3O 221.1528 NA KEGG NA NA +C10566 Alchorneine C12H19N3O 221.1528 NA KEGG NA NA +C15477 CGP 28014 C12H19N3O 221.1528 NA KEGG NA NA +MJ010055 Alchorneine C12H19N3O 221.152812 NA MeJP NA NA +MJ010056 Isoalchorneine C12H19N3O 221.152812 NA MeJP NA NA +MJ010057 Procarbazine C12H19N3O 221.152812 NA MeJP NA NA +MJ010058 2,4,8-Decatrienoic acid, 2-Methylpropylamide C14H23NO 221.177964 NA MeJP NA NA +MJ010059 2,4,8-Decatrienoic isobutylamide C14H23NO 221.177964 NA MeJP NA NA +MJ010060 2,4-Decadienoic acid, Pyrrolidide C14H23NO 221.177964 NA MeJP NA NA +MJ010061 2,6,8-Decatrienoic acid, N-(2-Methylpropyl)amide C14H23NO 221.177964 NA MeJP NA NA +MJ010062 5-Alkyl-1H-pyrrole-2-carboxaldehydes; 5-Nonyl-1H-pyrrole-2-carboxaldehyde C14H23NO 221.177964 NA MeJP NA NA +MJ010063 Indicamine C14H23NO 221.177964 NA MeJP NA NA +MJ010064 Mantella Alkaloid 221F C14H23NO 221.177964 NA MeJP NA NA +MJ010065 2,6-Di-4-pentenylpiperidine C15H27N 221.214349 NA MeJP NA NA +MJ010066 7-Amino-2,10-bisaboladiene C15H27N 221.214349 NA MeJP NA NA +MJ010067 Aromadendrane 1-isonitrile C15H27N 221.214349 NA MeJP NA NA +7942 synthetic peptide YYV 221.597 MH2+ Inhouse_peptide NA peptide +7956 synthetic peptide VYY 221.597 MH2+ Inhouse_peptide NA peptide +7960 synthetic peptide YVY 221.597 MH2+ Inhouse_peptide NA peptide +MJ010068 Iodomethanesulfonic acid CH3IO3S 221.884758 NA MeJP NA NA +MJ010069 2-Bromo-6-chloro-1,4-benzenediol C6H4BrClO2 221.908319 NA MeJP NA NA +C14352 6-Bromo-2-naphthol C10H7BrO 221.968 NA KEGG NA NA +C06675 3-Sulfomuconate C6H6O7S 221.9834 NA KEGG NA NA +C06676 4-Sulfolactone C6H6O7S 221.9834 NA KEGG NA NA +MJ010070 3-Sulfomuconate C6H6O7S 221.983423 NA MeJP NA NA +MJ010071 4-Sulfolactone C6H6O7S 221.983423 NA MeJP NA NA +MJ010072 1,2,3,5-Benzenetetrol; 2-O-Sulfate C6H6O7S 221.983423 NA MeJP NA NA +C06805 Acetazolamide C4H6N4O3S2 221.9881 NA KEGG NA NA +MJ010073 Acetazolamide C4H6N4O3S2 221.988131 NA MeJP NA NA +MetaCyc02062 2,4-substituted-furan [] C6H7O7P1 221.992939 NA metacyc NA NA +MetaCyc02063 TTFA [thenoyl trifluoro acetone;] C8H5O2F3S1 221.996235 NA metacyc NA NA +C14246 2,4'-Dichlorobiphenyl C12H8Cl2 222.0003 NA KEGG NA NA +C14248 4,4'-Dichlorobiphenyl C12H8Cl2 222.0003 NA KEGG NA NA +C14354 2,5-Dichlorobiphenyl C12H8Cl2 222.0003 NA KEGG NA NA +C14355 2,6-Dichlorobiphenyl C12H8Cl2 222.0003 NA KEGG NA NA +C14356 3,5-Dichlorobiphenyl C12H8Cl2 222.0003 NA KEGG NA NA +MJ010074 Bromisoval C6H11BrN2O2 222.00039 NA MeJP NA NA +C12829 Bromisovalum C6H11BrN2O2 222.0004 NA KEGG NA NA +C12830 Transferred to D01392 C6H11BrN2O2 222.0004 NA KEGG NA NA +MJ010075 3-Chloro-5-hydroxy-2-methyl-1,4-naphthoquinone C11H7ClO3 222.008371 NA MeJP NA NA +MJ010076 2,3,5,7-Tetrahydroxy-1,4-naphthoquinone C10H6O6 222.016437 NA MeJP NA NA +MJ010077 2,5,6,8-Tetrahydroxy-1,4-naphthoquinone C10H6O6 222.016437 NA MeJP NA NA +MJ010078 2,5,7,8-Tetrahydroxy-1,4-naphthoquinone C10H6O6 222.016437 NA MeJP NA NA +MJ010079 6,7-Dihydroxy-2-oxo-2H-1-benzopyran-3-carboxylic acid C10H6O6 222.016437 NA MeJP NA NA +C16454 Radon-222 Rn 222.0176 NA KEGG NA NA +MJ010080 3-Chloro-4-(2-nitrophenyl)pyrrole C10H7ClN2O2 222.019605 NA MeJP NA NA +MJ010081 3,4,5,6-Tetrahydroxy-1-cyclohexene-1-carboxylic acid, 6-Deoxy, 6-chloro, Me ester C8H11ClO5 222.029501 NA MeJP NA NA +MJ010082 ?-Lipoic acid, S1-Oxide C8H14O3S2 222.038435 NA MeJP NA NA +MJ010083 cis-2,3-Dihydro-2,3-dihydroxy-4'-chlorobiphenyl C12H11ClO2 222.044757 NA MeJP NA NA +MJ010084 3-(Chloromethylene)-2,3-dihydro-1-benzoxepin-7-methanol C12H11ClO2 222.044757 NA MeJP NA NA +C06585 cis-2,3-Dihydro-2,3-dihydroxy-4'-chlorobiphenyl C12H11ClO2 222.0448 NA KEGG NA NA +C02730 2-Succinylbenzoate C11H10O5 222.0528 NA KEGG NA NA +C02732 Peptide tryptophan C12H11N3O2R2 222.0528 NA KEGG NA NA +C02733 Peptidyl-L-alanine C4H6N2O2R2 222.0528 NA KEGG NA NA +C09271 Leptodactylone C11H10O5 222.0528 NA KEGG NA NA +C10496 Sphagnum acid C11H10O5 222.0528 NA KEGG NA NA +C12264 6-(2-Methoxyvinyl)benzo[1,3]dioxole-5-carboxylic acid C11H10O5 222.0528 NA KEGG NA NA +C12265 Lichenysin D C42H71N8O12R 222.0528 NA KEGG NA NA +C12266 Iturin A C37H51N12O14R 222.0528 NA KEGG NA NA +C12267 Bacillomycin D C37H51N10O15R 222.0528 NA KEGG NA NA +C12268 Syringomycin C45H68ClN14O17R 222.0528 NA KEGG NA NA +C14106 2-Hydroxy-7-hydroxymethylchromene-2-carboxylate C11H10O5 222.0528 NA KEGG NA NA +C14107 2-Hydroxy-4-hydroxymethylbenzalpyruvate C11H10O5 222.0528 NA KEGG NA NA +C17479 Fraxidin C11H10O5 222.0528 NA KEGG NA NA +C17480 Isofraxidin C11H10O5 222.0528 NA KEGG NA NA +MJ010085 2-Succinylbenzoate C11H10O5 222.052823 NA MeJP NA NA +MJ010086 1,3-Dihydro-4,6-dihydroxy-7-methyl-3-oxo-5-isobenzofurancarboxaldehyde; 4-Me ether C11H10O5 222.052823 NA MeJP NA NA +MJ010087 1,3-Dihydro-4,6-dihydroxy-7-methyl-3-oxo-5-isobenzofurancarboxaldehyde; 6-Me ether C11H10O5 222.052823 NA MeJP NA NA +MJ010088 2,3-Diformyl-6-methoxy-5-methylbenzoic acid C11H10O5 222.052823 NA MeJP NA NA +MJ010089 3,4-Dihydro-8-hydroxy-3,5-dimethyl-1H-2-benzopyran-1-one, 5-Carboxylic acid C11H10O5 222.052823 NA MeJP NA NA +MJ010090 3,4-Dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-carboxylic acid C11H10O5 222.052823 NA MeJP NA NA +MJ010091 3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3,4-Methylene, 5-Me ether C11H10O5 222.052823 NA MeJP NA NA +MJ010092 3-(4-Hydroxyphenyl)-2-pentenedioic acid C11H10O5 222.052823 NA MeJP NA NA +MJ010093 3-Hydroxy-2-phenylpropanoic acid C11H10O5 222.052823 NA MeJP NA NA +MJ010094 4,7,8-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; 7-Me ether C11H10O5 222.052823 NA MeJP NA NA +MJ010095 5,6,7-Trihydroxy-2-methyl-4H-1-benzopyran-4-one; 7-Me ether C11H10O5 222.052823 NA MeJP NA NA +MJ010096 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 5,6-Di-Me ether C11H10O5 222.052823 NA MeJP NA NA +MJ010097 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether C11H10O5 222.052823 NA MeJP NA NA +MJ010098 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Di-Me ether C11H10O5 222.052823 NA MeJP NA NA +MJ010099 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether C11H10O5 222.052823 NA MeJP NA NA +MJ010100 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5,8-Di-Me ether C11H10O5 222.052823 NA MeJP NA NA +MJ010101 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7,8-Di-Me ether C11H10O5 222.052823 NA MeJP NA NA +MJ010102 5,7-Dihydroxy-2-(hydroxymethyl)-4H-1-benzopyran-4-one; 7-Me ether C11H10O5 222.052823 NA MeJP NA NA +MJ010103 5,7-Dihydroxy-6-(hydroxymethyl)-2-methyl-4H-1-benzopyran-4-one C11H10O5 222.052823 NA MeJP NA NA +MJ010104 6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 6,8-Di-Me ether C11H10O5 222.052823 NA MeJP NA NA +MJ010105 6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7,8-Di-Me ether C11H10O5 222.052823 NA MeJP NA NA +MJ010106 6,7,8-Trihydroxy-3-methyl-1H-2-benzopyran-1-one; 7-Me ether C11H10O5 222.052823 NA MeJP NA NA +MJ010107 6,7,9-Trihydroxy-3-methylcyclohepta[c]pyran-8(1H)-one C11H10O5 222.052823 NA MeJP NA NA +MJ010108 6,8-Dihydroxy-3-hydroxymethyl-1H-2-benzopyran-1-one; 6-Me ether C11H10O5 222.052823 NA MeJP NA NA +MJ010109 6,8-Dihydroxy-4-(hydroxymethyl)-3-methyl-1H-2-benzopyran-1-one C11H10O5 222.052823 NA MeJP NA NA +MJ010110 7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one; 7-Me ether C11H10O5 222.052823 NA MeJP NA NA +MJ010111 8-Hydroxy-3,4-bis(hydroxymethyl)-1H-2-benzopyran-1-one C11H10O5 222.052823 NA MeJP NA NA +MJ010112 Coarctatin C11H10O5 222.052823 NA MeJP NA NA +MJ010113 Convolvulol; 1'-Carboxylic acid C11H10O5 222.052823 NA MeJP NA NA +MJ010114 Ellipsoidone A C11H10O5 222.052823 NA MeJP NA NA +MJ010115 Graphisquinone C11H10O5 222.052823 NA MeJP NA NA +MJ010116 Oospoglycol C11H10O5 222.052823 NA MeJP NA NA +MJ010117 Rosellinic acid C11H10O5 222.052823 NA MeJP NA NA +MJ010118 Rosigenin; 4',6'-Didehydro, 5'-ketone C11H10O5 222.052823 NA MeJP NA NA +MJ010119 Sescandelin C11H10O5 222.052823 NA MeJP NA NA +MetaCyc02064 O-succinylbenzoate [2-succinylbenzoate;succinylbenzoate;] C11H10O5 222.052823 NA metacyc NA NA +MetaCyc02065 2-succinylbenzoate [2-succinyl-benzoate;] C11H10O5 222.052823 NA metacyc NA NA +C17214 2-(3'-Methylthio)propylmalic acid C8H14O5S 222.0562 NA KEGG NA NA +C17215 3-(3'-Methylthio)propylmalic acid C8H14O5S 222.0562 NA KEGG NA NA +MJ010120 1-(1-Propenylthio)propyl propyl disulfide C9H18S3 222.057062 NA MeJP NA NA +MJ010121 1-Propenyl 1-(propylthio)propyl disulfide C9H18S3 222.057062 NA MeJP NA NA +MJ010122 3,5-Dialkyl-1,2,4-trithiolanes; 3-Isopropyl-5-(2-methylpropyl)-1,2,4-trithiolane C9H18S3 222.057062 NA MeJP NA NA +MJ010123 8-Chloro-6-chloromethyl-2-methyl-1,6-octadien-3-ol C10H16Cl2O 222.05782 NA MeJP NA NA +MJ010124 8-Chloro-6-chloromethyl-2-methyl-2,6-octadien-1-ol C10H16Cl2O 222.05782 NA MeJP NA NA +MJ010125 2,3-Quinoxalinedimethanol; 1,4-Dioxide C10H10N2O4 222.064056 NA MeJP NA NA +C17532 Metoxadiazone C10H10N2O4 222.0641 NA KEGG NA NA +C00542 Cystathionine C7H14N2O4S 222.0674 NA KEGG NA NA +C02291 L-Cystathionine C7H14N2O4S 222.0674 NA KEGG NA NA +C02292 L-Pro-L-boroPro C7H14N2O4S 222.0674 NA KEGG NA NA +PJ000057 TC C7H14N2O4S 222.0674 NA PeJP NA NA +MJ010126 Cystathionine C7H14N2O4S 222.067427 NA MeJP NA NA +MJ010127 L-Cystathionine C7H14N2O4S 222.067427 NA MeJP NA NA +MJ010128 ?-Methyllanthionine C7H14N2O4S 222.067427 NA MeJP NA NA +MJ010129 Cystathionine C7H14N2O4S 222.067427 NA MeJP NA NA +MetaCyc02066 cystathionine [DL-cystathionine;L-cystathionine;] C7H14N2O4S1 222.067428 56-88-2 metacyc NA NA +HMDB00099 L-Cystathionine C7H14N2O4S 222.067429 NA HMDB2010 NA NA +HMDB00455 Allocystathionine C7H14N2O4S 222.067429 NA HMDB2010 NA NA +HMDB00099 L-Cystathionine C7H14N2O4S 222.06743 http://www.hmdb.ca/metabolites/HMDB00099 PFEM_hmdb_metabocards_urine NA urine +HMDB00099 L-Cystathionine C7H14N2O4S 222.06743 http://www.hmdb.ca/metabolites/HMDB00099 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00099 L-Cystathionine C7H14N2O4S 222.06743 http://www.hmdb.ca/metabolites/HMDB00099 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00099 L-Cystathionine C7H14N2O4S 222.06743 http://www.hmdb.ca/metabolites/HMDB00099 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00099 L-Cystathionine C7H14N2O4S 222.06743 http://www.hmdb.ca/metabolites/HMDB00099 HMDB NA NA +HMDB00455 Allocystathionine C7H14N2O4S 222.06743 http://www.hmdb.ca/metabolites/HMDB00455 HMDB NA NA +HMDB00099 L-Cystathionine C7H14N2O4S 222.06743 NA ;SYN:1H-Imidazole-4-ethanamine; 2-(1H-Imidazol-4-yl)ethanamine; 2-(1H-Imidazol-4-yl)ethylamine; 2-(1H-Imidazol-5-yl)ethanamine; 2-(1H-Imidazol-5-yl)ethylamine; 2-(4-Imidazolyl)ethanamine; 2-(4-Imidazolyl)ethylamine; 2-imidazol-4-yl-Ethylamine; 2-imidazol-4-ylethylamine; 4-(2-Aminoethyl)-1H-imidazole; 4-(2-Aminoethyl)imidazole; 4-Imidazoleethylamine; 5-Imidazoleethylamine; b-Imidazolyl-4-ethylamine; beta-Aminoethylglyoxaline; beta-Aminoethylimidazole; beta-aminothethylglyoxaline; beta-Imidazolyl-4-ethylamine; Eramin; Ergamine; Ergotidine; Free histamine; Histamine; HSM; L-Histamin base; L-Histamine; TheramineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00099 L-Cystathionine C7H14N2O4S 222.06743 http://www.hmdb.ca/metabolites/HMDB00099 PFEM_hmdb_metabocards_blood NA blood +HMDB00099 L-Cystathionine C7H14N2O4S 222.06743 HMDB00099 PFEM_hmdb_metabocards_official NA NA +HMDB00455 Allocystathionine C7H14N2O4S 222.06743 HMDB00455 PFEM_hmdb_metabocards_official NA NA +FL3F99NS0001 Flavone C15H10O2 222.06807 525-82-6 knapsack NA NA +MJ010130 1-Methylanthraquinone C15H10O2 222.068079 NA MeJP NA NA +MJ010131 2,12-Tridecadiene-4,6,8,10-tetrayn-1-ol; Ac C15H10O2 222.068079 NA MeJP NA NA +MJ010132 2-Methylanthraquinone C15H10O2 222.068079 NA MeJP NA NA +MJ010133 2-Phenyl-1,3-indanedione C15H10O2 222.068079 NA MeJP NA NA +MJ010134 2-Phenyl-4H-1-benzopyran-4-one C15H10O2 222.068079 NA MeJP NA NA +MJ010135 3-Phenyl-1H-2-benzopyran-1-one C15H10O2 222.068079 NA MeJP NA NA +MJ010136 3-Phenyl-4H-1-benzopyran-4-one C15H10O2 222.068079 NA MeJP NA NA +MJ010137 7-Phenyl-2,4,6-heptatriyn-1-ol; Ac C15H10O2 222.068079 NA MeJP NA NA +MJ010138 9-Anthracenecarboxylic acid C15H10O2 222.068079 NA MeJP NA NA +MJ010139 7-Hydroxyflavylium(1+) C15H11O2(+) 222.068079 NA MeJP NA NA +HMDB03075 Flavone C15H10O2 222.06808 http://www.hmdb.ca/metabolites/HMDB03075 HMDB NA NA +HMDB03075 Flavone C15H10O2 222.06808 HMDB03075 PFEM_hmdb_metabocards_official NA NA +HMDB03075 Flavone C15H10O2 222.068085 NA HMDB2010 NA NA +C00799 Isoflavone C15H10O2 222.0681 NA KEGG NA NA +C07584 Phenindione C15H10O2 222.0681 NA KEGG NA NA +C10043 2-Phenyl-4-benzopyron C15H10O2 222.0681 NA KEGG NA NA +C10405 Tectoquinone C15H10O2 222.0681 NA KEGG NA NA +C13699 9-Anthroic acid C15H10O2 222.0681 NA KEGG NA NA +C15608 Flavone C15H10O2 222.0681 NA KEGG NA NA +MJ010140 Zaltidine C8H10N6S 222.068765 NA MeJP NA NA +MJ010141 2-[2-(Methylthio)propenyl]benzoic acid, Me ester C12H14O2S 222.07145 NA MeJP NA NA +MJ010142 3-(Methylthio)-2-propenoic acid, 2-Phenylethyl ester C12H14O2S 222.07145 NA MeJP NA NA +MJ010143 3-[(4-Methylthio)phenyl]-2-butenoic acid, Me ester C12H14O2S 222.07145 NA MeJP NA NA +MJ010144 5-Methylthio-2,4,8-decatrien-6-ynoic acid, Me ester C12H14O2S 222.07145 NA MeJP NA NA +MJ010145 5-Methylthio-2,4-decadiene-6,8-diynoic acid, 6,7-(Z)-dihydro, Me ester C12H14O2S 222.07145 NA MeJP NA NA +MJ010146 6-O-Acetylglucose C8H14O7 222.073952 NA MeJP NA NA +MJ010147 Galacturonic acid, 2,3-Di-Me C8H14O7 222.073952 NA MeJP NA NA +MJ010148 Galacturonic acid, 2,4-Di-Me C8H14O7 222.073952 NA MeJP NA NA +MJ010149 Galacturonic acid, 3,4-Di-Me C8H14O7 222.073952 NA MeJP NA NA +MJ010150 myo-Inositol; 2-Ac C8H14O7 222.073952 NA MeJP NA NA +MetaCyc02067 6-acetyl-D-glucose [] C8H14O7 222.073953 107-85-7 metacyc NA NA +HMDB10325 Ethyl glucuronide C8H14O7 222.073959 NA HMDB2010 NA NA +C02655 6-Acetyl-D-glucose C8H14O7 222.074 NA KEGG NA NA +MJ010151 6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one; 4,5-Dihydro C14H10N2O 222.079312 NA MeJP NA NA +MetaCyc02068 4-fluorotryptophan [4fW;] C11H11N2O2F1 222.080456 NA metacyc NA NA +MJ010152 Antibiotic CV 1 C7H14N2O6 222.085186 NA MeJP NA NA +MJ010153 N-Carbamoylglucosamine C7H14N2O6 222.085186 NA MeJP NA NA +7591 ACE inhibitor GF 222.089 antioxidative Inhouse_peptide NA peptide +7605 ACE inhibitor FG 222.089 antioxidative Inhouse_peptide NA peptide +HMDB02056 Monoisobutyl phthalic acid C12H14O4 222.0892 http://www.hmdb.ca/metabolites/HMDB02056 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02056 Monoisobutyl phthalic acid C12H14O4 222.0892 http://www.hmdb.ca/metabolites/HMDB02056 HMDB NA NA +C10429 Apiole C12H14O4 222.0892 NA KEGG NA NA +C10449 Dillapiole C12H14O4 222.0892 NA KEGG NA NA +C14175 Diethyl phthalate C12H14O4 222.0892 NA KEGG NA NA +HMDB02056 Monoisobutyl phthalic acid C12H14O4 222.0892 http://www.hmdb.ca/metabolites/HMDB02056 PFEM_hmdb_metabocards_blood NA blood +HMDB02056 Monoisobutyl phthalic acid C12H14O4 222.0892 HMDB02056 PFEM_hmdb_metabocards_official NA NA +HMDB02056 Monoisobutyl phthalic acid C12H14O4 222.089203 NA HMDB2010 NA NA +HMDB13247 Monobutylphthalate C12H14O4 222.089203 NA HMDB2010 NA NA +MJ010154 1,2-Benzenedicarboxylic acid; Di-Et ester C12H14O4 222.089208 NA MeJP NA NA +MJ010155 1-(2,4,6-Trihydroxyphenyl)-2-buten-1-one; 2,4-Di-Me ether C12H14O4 222.089208 NA MeJP NA NA +MJ010156 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-5-benzofurancarboxaldehyde; 2'-Hydroxy C12H14O4 222.089208 NA MeJP NA NA +MJ010157 2,3-Dihydro-3,6-dihydroxy-2,2-dimethyl-4H-1-benzopyran-4-one, 6-Me ether C12H14O4 222.089208 NA MeJP NA NA +MJ010158 2,3-Dihydro-5,7-dihydroxy-2-methyl-4H-1-benzopyran-4-one; Di-Me ether C12H14O4 222.089208 NA MeJP NA NA +MJ010159 2,3-Dimethoxy-4,5-methylenedioxy-1-propenylbenzene C12H14O4 222.089208 NA MeJP NA NA +MJ010160 2-Hydroxybenzoic acid; Tetrahydrofurfuryl ester C12H14O4 222.089208 NA MeJP NA NA +MJ010161 2-Methyl-2-butene-1,4-diol, 4-(2-Hydroxybenzoyl) C12H14O4 222.089208 NA MeJP NA NA +MJ010162 3,4-Dihydro-4,6,8-trihydroxy-7-methyl-1(2H)-naphthalenone, 6-Me ether C12H14O4 222.089208 NA MeJP NA NA +MJ010163 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-1H-2-benzopyran-1-one, 6-Me ether C12H14O4 222.089208 NA MeJP NA NA +MJ010164 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-1H-2-benzopyran-1-one, 8-Me ether C12H14O4 222.089208 NA MeJP NA NA +MJ010165 3,4-Dihydro-7,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, Di-Me ether C12H14O4 222.089208 NA MeJP NA NA +MJ010166 3,4-Dihydro-8-hydroxy-5-(2-hydroxyethyl)-3-methyl-1H-2-benzopyran-1-one C12H14O4 222.089208 NA MeJP NA NA +MJ010167 3,4-Dihydro-8-hydroxy-7-(hydroxymethyl)-3,4-dimethyl-1H-2-benzopyran-1-one C12H14O4 222.089208 NA MeJP NA NA +MJ010168 3,4-Dihydroxy-5-(3-methyl-2-butenyl)benzoic acid C12H14O4 222.089208 NA MeJP NA NA +MJ010169 3,9-Dihydroxy-9-(1-hydroxyethyl)-2H,9H-benzo[c]oxepin C12H14O4 222.089208 NA MeJP NA NA +MJ010170 3-(2,4,5-Trimethoxyphenyl)-2-propenal C12H14O4 222.089208 NA MeJP NA NA +MJ010171 3-(2,4-Dimethoxyphenyl)-2-butenoic acid C12H14O4 222.089208 NA MeJP NA NA +MJ010172 3-(3,4,5-Trihydroxyphenyl)-2-propenal, Tri-Me ether C12H14O4 222.089208 NA MeJP NA NA +MJ010173 3-(3,4-Dihydroxy-3-methyl-1-butynyl)-4-hydroxybenzoic acid; 1'-Alcohol C12H14O4 222.089208 NA MeJP NA NA +MJ010174 3-Ethyl-5,7-dihydroxy-3,6-dimethyl-1(3H)-isobenzofuranone C12H14O4 222.089208 NA MeJP NA NA +MJ010175 4-(2-Propenyl)-1,2,3,5-benzenetetrol; 1,2-Methylene, 3,5-di-Me ether C12H14O4 222.089208 NA MeJP NA NA +MJ010176 4-(3,4,5-Trihydroxyphenyl)-3-buten-2-one, 3',5'-Di-Me ether C12H14O4 222.089208 NA MeJP NA NA +MJ010177 5-(1-Propenyl)-1,2,3,4-benzenetetrol, 3,4-Methylene-1,2-di-Me ether C12H14O4 222.089208 NA MeJP NA NA +MJ010178 5-(2-Propenyl)-1,2,3,4-benzenetetrol; 1,2-Di-Me, 3,4-methylene ether C12H14O4 222.089208 NA MeJP NA NA +MJ010179 5-(3,4-Methylenedioxyphenyl)pentanoic acid C12H14O4 222.089208 NA MeJP NA NA +MJ010180 6,8-Dihydroxy-3,4,5-trimethyl-1H-2-benzopyran-1-one; 3,4-Dihydro C12H14O4 222.089208 NA MeJP NA NA +MJ010181 7,8-Dihydro-7,8-dihydroxy-3,5,7-trimethyl-6H-2-benzopyran-6-one C12H14O4 222.089208 NA MeJP NA NA +MJ010182 8-Ethyl-2,3-dihydro-5,7-dihydroxy-2-methyl-4H-1-benzopyran-4-one C12H14O4 222.089208 NA MeJP NA NA +MJ010183 Anodendroic acid C12H14O4 222.089208 NA MeJP NA NA +MJ010184 Apiole C12H14O4 222.089208 NA MeJP NA NA +MJ010185 Arthropsatriol C C12H14O4 222.089208 NA MeJP NA NA +MJ010186 Asparvenone C12H14O4 222.089208 NA MeJP NA NA +MJ010187 Deoxyradicinol C12H14O4 222.089208 NA MeJP NA NA +MJ010188 Dillapiol C12H14O4 222.089208 NA MeJP NA NA +MJ010189 Evodone, 6?-Acetoxy C12H14O4 222.089208 NA MeJP NA NA +MJ010190 Parvulenone C12H14O4 222.089208 NA MeJP NA NA +MJ010191 Radicinol; 4-Epimer, 3-deoxy C12H14O4 222.089208 NA MeJP NA NA +MJ010192 Sclerolide C12H14O4 222.089208 NA MeJP NA NA +MJ010193 Senkyunolide A; 3-Hydroxy, 8-oxo C12H14O4 222.089208 NA MeJP NA NA +MJ010194 Sordariol; 7-Aldehyde C12H14O4 222.089208 NA MeJP NA NA +MJ010195 Sordariolone C12H14O4 222.089208 NA MeJP NA NA +MetaCyc02069 (3-methylbenzyl)succinate [3-methylbenzylsuccinate;] C12H14O4 222.089209 NA metacyc NA NA +MJ010196 3-Benzylpyrido[3,4-e]-1,2,4-triazine C13H10N4 222.090546 NA MeJP NA NA +MetaCyc02070 5-isobutylthioribose [] C9H18O4S1 222.09258 NA metacyc NA NA +C14614 6-(Pentylthio)purine C10H14N4S 222.0939 NA KEGG NA NA +CJpos0584 Theobromine [(M+H)+(CH3CN)]+ (13C) C813CH12N5O2 222.094075 C18rt(min)=4.79 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0584 Theobromine [(M+H)+(CH3CN)]+ (13C) C813CH12N5O2 222.094075 C18rt(min)=4.79 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +MJ010197 3-Amino-1-(2-amino-3-hydroxyphenyl)-1-propanone; N3-Ac C11H14N2O3 222.100442 NA MeJP NA NA +MJ010198 5-(1-Cyclohexen-1-yl)-5-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione C11H14N2O3 222.100442 NA MeJP NA NA +MJ010199 Dehydrodopamine, N-?-Alanyl C11H14N2O3 222.100442 NA MeJP NA NA +MJ010200 Dihydrojasminine C11H14N2O3 222.100442 NA MeJP NA NA +PJ000058 GF C11H14N2O3 222.1005 NA PeJP NA NA +C04543 S-Butyl-DL-homocysteine-[S,R]-sulfoximine C8H18N2O3S 222.1038 NA KEGG NA NA +MJ010201 2-Amino-4-(S-butylsulfonimidoyl)butanoic acid C8H18N2O3S 222.103813 NA MeJP NA NA +MetaCyc02071 buthionine sulfoximine [] C8H18N2O3S1 222.103813 NA metacyc NA NA +MJ010202 2,4-Diphenyl-2-butenal C16H14O 222.104465 NA MeJP NA NA +MJ010203 2-Propanol; O-?-D-Glucopyranoside C9H18O6 222.110338 NA MeJP NA NA +MJ010204 2-Propanol; O-?-D-Glucopyranoside C9H18O6 222.110338 NA MeJP NA NA +MJ010205 Iditol, 3,4-O-Isopropylidene C9H18O6 222.110338 NA MeJP NA NA +MJ010206 Morinamide C10H14N4O2 222.111675 NA MeJP NA NA +MetaCyc02072 3-isobutyl-1-methylxanthine [] C10H14N4O2 222.111676 NA metacyc NA NA +C13708 IBMX C10H14N4O2 222.1117 NA KEGG NA NA +MJ010207 1-(2-Methyl-1-propenyl)-?-carboline C15H14N2 222.115698 NA MeJP NA NA +MJ010208 Diethyldithiocarbamic acid; Diethylamine salt (1:1) C9H22N2S2 222.12244 NA MeJP NA NA +MJ010209 Oxonazine C9H14N6O 222.122909 NA MeJP NA NA +MJ010210 1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-2-buten-1-one; 1''-Alcohol, 2',3'-dihydro C13H18O3 222.125594 NA MeJP NA NA +MJ010211 2-Hydroxy-5-methyl-1-phenyl-3-hexanone, 4'-Hydroxy C13H18O3 222.125594 NA MeJP NA NA +MJ010212 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 1-Et, 3',4'-di-Me ether C13H18O3 222.125594 NA MeJP NA NA +MJ010213 4-(1,3-Butadienyl)-1,2-dimethoxybenzene, 5-Methoxy, 3',4'-dihydro C13H18O3 222.125594 NA MeJP NA NA +MJ010214 4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone; 2'',3''-Dihydro, 3''-hydroxy C13H18O3 222.125594 NA MeJP NA NA +MJ010215 5,13-Epoxy-7-megastigmene-3,9-dione C13H18O3 222.125594 NA MeJP NA NA +MJ010216 5-(Hydroxymethyl)-3-(3-methyl-2-butenyl)-1,2-benzenediol; 1-Me ether C13H18O3 222.125594 NA MeJP NA NA +MJ010217 6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-Ketone C13H18O3 222.125594 NA MeJP NA NA +MJ010218 6-Hydroxy-4,7-megastigmadiene-2,9-dione C13H18O3 222.125594 NA MeJP NA NA +MJ010219 Harzianolide C13H18O3 222.125594 NA MeJP NA NA +MJ010220 Jasmonic acid; 3-Epimer, 4,5-didehydro, Me ester C13H18O3 222.125594 NA MeJP NA NA +MJ010221 Moskachan B; 5'-Alcohol C13H18O3 222.125594 NA MeJP NA NA +MetaCyc02073 (+-)-6-hydroxy-3-oxo-α-ionone [] C13H18O3 222.125594 NA metacyc NA NA +C02533 Dehydrovomifoliol C13H18O3 222.1256 NA KEGG NA NA +C02534 Dialkyl phosphate PHO4R2 222.1256 NA KEGG NA NA +C04223 (+/-)-6-Hydroxy-3-oxo-alpha-ionone C13H18O3 222.1256 NA KEGG NA NA +C11763 Miotine C12H18N2O2 222.1368 NA KEGG NA NA +C16572 3-Hydroxymonoethylglycinexylidide C12H18N2O2 222.1368 NA KEGG NA NA +MJ010222 Doxpicomine C12H18N2O2 222.136827 NA MeJP NA NA +MJ010223 Kuraramine C12H18N2O2 222.136827 NA MeJP NA NA +MJ010224 Nicametate C12H18N2O2 222.136827 NA MeJP NA NA +MJ010225 1,7,9-Heptadecatriene-11,13,15-triyne C17H18 222.14085 NA MeJP NA NA +MJ010226 Tetraethylene glycol; Di-Me ether C10H22O5 222.146723 NA MeJP NA NA +MJ010227 11-Hydroxy-12-nor-9(11)-drimen-8-one C14H22O2 222.161979 NA MeJP NA NA +MJ010228 11-Hydroxy-15-nor-5-amorphen-4-one C14H22O2 222.161979 NA MeJP NA NA +MJ010229 13-Methyl-5,8-tridecadienolide C14H22O2 222.161979 NA MeJP NA NA +MJ010230 13-Nor-2-bisabolene-1,11-dione C14H22O2 222.161979 NA MeJP NA NA +MJ010231 14-Nor-5-protoilludene-7,8-diol C14H22O2 222.161979 NA MeJP NA NA +MJ010232 15-Hydroxy-13-nor-2,11-bisaboladien-1-one C14H22O2 222.161979 NA MeJP NA NA +MJ010233 15-Nor-4-oxodihydro-?-agarofuran C14H22O2 222.161979 NA MeJP NA NA +MJ010234 2,6-Di-tert-butyl-1,4-benzenediol C14H22O2 222.161979 NA MeJP NA NA +MJ010235 3,6-Epidioxy-13-nor-1,11-bisaboladiene C14H22O2 222.161979 NA MeJP NA NA +MJ010236 4,10-Chromolaevanedione C14H22O2 222.161979 NA MeJP NA NA +MJ010237 4-Hydroxy-13-nor-7-eudesmen-11-one C14H22O2 222.161979 NA MeJP NA NA +MJ010238 4-Hydroxy-14-nor-5-dumorten-7-one C14H22O2 222.161979 NA MeJP NA NA +MJ010239 5-Nor-4,5-seco-7(11)-amorphene-4,6-dione C14H22O2 222.161979 NA MeJP NA NA +MJ010240 Isokobusone C14H22O2 222.161979 NA MeJP NA NA +MJ010241 Kobusone C14H22O2 222.161979 NA MeJP NA NA +MJ010242 Mikaniahumulene I C14H22O2 222.161979 NA MeJP NA NA +MJ010243 Norkhusinol oxide C14H22O2 222.161979 NA MeJP NA NA +MJ010244 Polygonal C14H22O2 222.161979 NA MeJP NA NA +MJ010245 Rishitin C14H22O2 222.161979 NA MeJP NA NA +MJ010246 ?-Irone, 7,8-Epoxide C14H22O2 222.161979 NA MeJP NA NA +MetaCyc02074 rishitin [] C14H22O2 222.16198 NA metacyc NA NA +C09715 Rishitin C14H22O2 222.162 NA KEGG NA NA +C16977 Isokobusone C14H22O2 222.162 NA KEGG NA NA +C16983 Kobusone C14H22O2 222.162 NA KEGG NA NA +MJ010247 Ammodendrine, N-Me C13H22N2O 222.173213 NA MeJP NA NA +MJ010248 Dendrobates Alkaloid 252; Deoxy, O-de-Me C13H22N2O 222.173213 NA MeJP NA NA +MJ010249 Nigragilline C13H22N2O 222.173213 NA MeJP NA NA +MJ010250 Tetrahydrocytisine; N-Et C13H22N2O 222.173213 NA MeJP NA NA +HMDB04305 Farnesol C15H26O 222.19836 http://www.hmdb.ca/metabolites/HMDB04305 HMDB NA NA +HMDB06835 Polyprenol C15H26O 222.19836 http://www.hmdb.ca/metabolites/HMDB06835 HMDB NA NA +HMDB04305 Farnesol C15H26O 222.19836 HMDB04305 PFEM_hmdb_metabocards_official NA NA +HMDB06835 Polyprenol C15H26O 222.19836 HMDB06835 PFEM_hmdb_metabocards_official NA NA +HMDB04305 Farnesol C15H26O 222.198364 NA HMDB2010 NA NA +MJ010251 1(10),4-Germacradien-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010252 1(10),4-Germacradien-6-ol C15H26O 222.198365 NA MeJP NA NA +MJ010253 1(10),5-Germacradien-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010254 1(10),5-Germacradien-4-ol C15H26O 222.198365 NA MeJP NA NA +MJ010255 1(10)-Eremophilen-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010256 1(10)-Eremophilen-7-ol C15H26O 222.198365 NA MeJP NA NA +MJ010257 1(10)-Guaien-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010258 1(10)-Lepidozen-5-ol C15H26O 222.198365 NA MeJP NA NA +MJ010259 1(10)-Spirovetiven-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010260 1(10)-Spirovetiven-7-ol C15H26O 222.198365 NA MeJP NA NA +MJ010261 1(5)-Guaien-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010262 1(6)-Brasilen-2-ol C15H26O 222.198365 NA MeJP NA NA +MJ010263 1,10-Bisaboladien-3-ol C15H26O 222.198365 NA MeJP NA NA +MJ010264 1,11-Elemadien-8-ol; 8?-form C15H26O 222.198365 NA MeJP NA NA +MJ010265 1,3-Elemadien-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010266 1,3-Elemadien-6-ol C15H26O 222.198365 NA MeJP NA NA +MJ010267 1,4-Bisaboladien-10-ol C15H26O 222.198365 NA MeJP NA NA +MJ010268 1,4-Epoxycadinane C15H26O 222.198365 NA MeJP NA NA +MJ010269 1,5-Bisaboladien-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010270 1,6,10-Farnesatrien-3-ol C15H26O 222.198365 NA MeJP NA NA +MJ010271 1,6-Humuladien-3-ol C15H26O 222.198365 NA MeJP NA NA +MJ010272 1-Aromadendranol C15H26O 222.198365 NA MeJP NA NA +MJ010273 1-Presilphiperfolanol C15H26O 222.198365 NA MeJP NA NA +MJ010274 10(14)-Cadinen-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010275 10(14)-Guaien-4-ol C15H26O 222.198365 NA MeJP NA NA +MJ010276 10,11-Epoxyeremophilane C15H26O 222.198365 NA MeJP NA NA +MJ010277 10,11-Epoxyguaiane C15H26O 222.198365 NA MeJP NA NA +MJ010278 10-Aromadendranol C15H26O 222.198365 NA MeJP NA NA +MJ010279 10-Neopinguisen-5-ol C15H26O 222.198365 NA MeJP NA NA +MJ010280 10-Pinguisen-5-ol C15H26O 222.198365 NA MeJP NA NA +MJ010281 11(13)-Eudesmen-12-ol C15H26O 222.198365 NA MeJP NA NA +MJ010282 11-Eremophilen-10-ol; 10?-form C15H26O 222.198365 NA MeJP NA NA +MJ010283 11-Eudesmen-4-ol C15H26O 222.198365 NA MeJP NA NA +MJ010284 11-Eudesmen-5-ol C15H26O 222.198365 NA MeJP NA NA +MJ010285 11-Guaien-10-ol C15H26O 222.198365 NA MeJP NA NA +MJ010286 14(10?1)-Abeo-11-eudesmen-1-ol C15H26O 222.198365 NA MeJP NA NA +MJ010287 14(7?6)-Abeo-4-cuparen-3-ol C15H26O 222.198365 NA MeJP NA NA +MJ010288 2,10-Bisaboladien-1-ol C15H26O 222.198365 NA MeJP NA NA +MJ010289 2,10-Bisaboladien-6-ol C15H26O 222.198365 NA MeJP NA NA +MJ010290 2,10-Bisaboladien-7-ol C15H26O 222.198365 NA MeJP NA NA +MJ010291 2,4-Pentadecadienal C15H26O 222.198365 NA MeJP NA NA +MJ010292 2,6,10-Farnesatrien-1-ol C15H26O 222.198365 NA MeJP NA NA +MJ010293 2,6,6,8-Tetramethyltricyclo[6.2.1.01,5]undecan-7-ol C15H26O 222.198365 NA MeJP NA NA +MJ010294 2,6-Bisaboladien-10-ol C15H26O 222.198365 NA MeJP NA NA +MJ010295 2,9-Humuladien-7-ol C15H26O 222.198365 NA MeJP NA NA +MJ010296 2-Africananol C15H26O 222.198365 NA MeJP NA NA +MJ010297 2-Allohimachalen-6-ol C15H26O 222.198365 NA MeJP NA NA +MJ010298 2-Copacamphanol; 2?-form C15H26O 222.198365 NA MeJP NA NA +MJ010299 2-Guaien-10-ol C15H26O 222.198365 NA MeJP NA NA +MJ010300 2-Himachalen-6-ol C15H26O 222.198365 NA MeJP NA NA +MJ010301 2-Himachalen-7-ol; 7?-form C15H26O 222.198365 NA MeJP NA NA +MJ010302 3(15),10-Bisaboladien-7-ol C15H26O 222.198365 NA MeJP NA NA +MJ010303 3(15),6-Caryophylladien-14-oic acid, 6?,7-Dihydro, 14-alcohol C15H26O 222.198365 NA MeJP NA NA +MJ010304 3,7,9-Trimethyl-8,10-dodecadien-6-one C15H26O 222.198365 NA MeJP NA NA +MJ010305 3,7-Epoxycaryophyllane C15H26O 222.198365 NA MeJP NA NA +MJ010306 3-Acoren-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010307 3-Acoren-5-ol C15H26O 222.198365 NA MeJP NA NA +MJ010308 3-Africananol C15H26O 222.198365 NA MeJP NA NA +MJ010309 3-Cadinen-10-ol; 10?-form C15H26O 222.198365 NA MeJP NA NA +MJ010310 3-Cedranol C15H26O 222.198365 NA MeJP NA NA +MJ010311 3-Eudesmen-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010312 3-Eudesmen-6-ol C15H26O 222.198365 NA MeJP NA NA +MJ010313 3-Eudesmen-7-ol C15H26O 222.198365 NA MeJP NA NA +MJ010314 3-Himachalen-6-ol; 6?-form C15H26O 222.198365 NA MeJP NA NA +MJ010315 3-Muurolen-1-ol C15H26O 222.198365 NA MeJP NA NA +MJ010316 3-Panasinsanol; 3?OH-form C15H26O 222.198365 NA MeJP NA NA +MJ010317 3-Panasinsanol; 3à OH-form C15H26O 222.198365 NA MeJP NA NA +MJ010318 3-Precapnellen-6-ol C15H26O 222.198365 NA MeJP NA NA +MJ010319 3-Thujopsanol C15H26O 222.198365 NA MeJP NA NA +MJ010320 4(15)-Cadinen-10-ol C15H26O 222.198365 NA MeJP NA NA +MJ010321 4(15)-Eremophilen-11-ol; 10?-form C15H26O 222.198365 NA MeJP NA NA +MJ010322 4(15)-Eudesmen-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010323 4(15)-Eudesmen-5-ol; 5?-form C15H26O 222.198365 NA MeJP NA NA +MJ010324 4(15)-Eudesmen-6-ol C15H26O 222.198365 NA MeJP NA NA +MJ010325 4(15)-Eudesmen-7-ol C15H26O 222.198365 NA MeJP NA NA +MJ010326 4(15)-Oppositen-7-ol C15H26O 222.198365 NA MeJP NA NA +MJ010327 4,10-Epoxymuurolane C15H26O 222.198365 NA MeJP NA NA +MJ010328 4,11-Epoxyeudesmane C15H26O 222.198365 NA MeJP NA NA +MJ010329 4,9-Germacradien-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010330 4-Acoren-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010331 4-Ambiguen-1-ol C15H26O 222.198365 NA MeJP NA NA +MJ010332 4-Amorphen-7-ol C15H26O 222.198365 NA MeJP NA NA +MJ010333 4-Amorphene-11,15-diol; 15-Deoxy C15H26O 222.198365 NA MeJP NA NA +MJ010334 4-Brasilen-10-ol C15H26O 222.198365 NA MeJP NA NA +MJ010335 4-Cadinen-1-ol; 1?-form C15H26O 222.198365 NA MeJP NA NA +MJ010336 4-Cadinen-10-ol; 10?-form C15H26O 222.198365 NA MeJP NA NA +MJ010337 4-Cadinen-10-ol; 10?-form C15H26O 222.198365 NA MeJP NA NA +MJ010338 4-Copanol C15H26O 222.198365 NA MeJP NA NA +MJ010339 4-Cubebanol C15H26O 222.198365 NA MeJP NA NA +MJ010340 4-Daucen-14-ol C15H26O 222.198365 NA MeJP NA NA +MJ010341 4-Eudesmen-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010342 4-Eudesmen-7-ol C15H26O 222.198365 NA MeJP NA NA +MJ010343 4-Gorgonen-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010344 4-Methylene-2-tetradecenal C15H26O 222.198365 NA MeJP NA NA +MJ010345 4-Muurolen-1-ol C15H26O 222.198365 NA MeJP NA NA +MJ010346 4-Muurolen-10-ol C15H26O 222.198365 NA MeJP NA NA +MJ010347 4-Muurolen-6-ol C15H26O 222.198365 NA MeJP NA NA +MJ010348 4-Muurolen-7-ol C15H26O 222.198365 NA MeJP NA NA +MJ010349 4-Nopsanol C15H26O 222.198365 NA MeJP NA NA +MJ010350 5(10)-Pinguisen-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010351 5(1?10)-Abeo-1-patchoulanol C15H26O 222.198365 NA MeJP NA NA +MJ010352 5,11-Epoxyguaiane C15H26O 222.198365 NA MeJP NA NA +MJ010353 5,8-Epoxy-9-daucanol, Deoxy C15H26O 222.198365 NA MeJP NA NA +MJ010354 5-(2,2-Dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadien-1-ol; 7,8-Dihydro C15H26O 222.198365 NA MeJP NA NA +MJ010355 5-Aromadendranol C15H26O 222.198365 NA MeJP NA NA +MJ010356 5-Brasilen-10-ol C15H26O 222.198365 NA MeJP NA NA +MJ010357 5-Brasilen-4-ol C15H26O 222.198365 NA MeJP NA NA +MJ010358 5-Cyclopentadecen-1-one C15H26O 222.198365 NA MeJP NA NA +MJ010359 5-Eudesmen-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010360 5-Guaien-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010361 5-Maalianol; 5?-form C15H26O 222.198365 NA MeJP NA NA +MJ010362 5-Muurolen-4-ol C15H26O 222.198365 NA MeJP NA NA +MJ010363 5-Pinguisen-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010364 6(14)-Thapsen-13-ol C15H26O 222.198365 NA MeJP NA NA +MJ010365 6,9-Pentadecadien-2-one C15H26O 222.198365 NA MeJP NA NA +MJ010366 6-Asteriscen-3-ol C15H26O 222.198365 NA MeJP NA NA +MJ010367 6-Eudesmen-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010368 6-Eudesmen-4-ol C15H26O 222.198365 NA MeJP NA NA +MJ010369 6-Guaien-10-ol C15H26O 222.198365 NA MeJP NA NA +MJ010370 6-Guaien-4-ol C15H26O 222.198365 NA MeJP NA NA +MJ010371 6-Himachalen-9-ol C15H26O 222.198365 NA MeJP NA NA +MJ010372 6-Silphiperfolanol C15H26O 222.198365 NA MeJP NA NA +MJ010373 6-Valerenen-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010374 7(11)-Eudesmen-4-ol C15H26O 222.198365 NA MeJP NA NA +MJ010375 7(14)-Isodaucen-6-ol C15H26O 222.198365 NA MeJP NA NA +MJ010376 7,11-Seco-11-ishwaranol C15H26O 222.198365 NA MeJP NA NA +MJ010377 7-Cameroonanol; 7?-form C15H26O 222.198365 NA MeJP NA NA +MJ010378 7-Drimen-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010379 7-Isopropyl-2,10-dimethylspiro[4.5]dec-1-en-6-ol C15H26O 222.198365 NA MeJP NA NA +MJ010380 7-Prezizaanol C15H26O 222.198365 NA MeJP NA NA +MJ010381 7-Silphiperfolanol C15H26O 222.198365 NA MeJP NA NA +MJ010382 8(12)-Drimen-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010383 8,11-Pentadecadien-2-one C15H26O 222.198365 NA MeJP NA NA +MJ010384 8,13-Pentadecadien-2-one C15H26O 222.198365 NA MeJP NA NA +MJ010385 8,9-Seco-9(11)-drimen-8-one C15H26O 222.198365 NA MeJP NA NA +MJ010386 8-Daucen-4-ol C15H26O 222.198365 NA MeJP NA NA +MJ010387 8-Daucen-5-ol C15H26O 222.198365 NA MeJP NA NA +MJ010388 8-Lacinanol C15H26O 222.198365 NA MeJP NA NA +MJ010389 8-Prenopsanol C15H26O 222.198365 NA MeJP NA NA +MJ010390 8-Presilphiperfolanol C15H26O 222.198365 NA MeJP NA NA +MJ010391 9(11)-Drimen-8-ol C15H26O 222.198365 NA MeJP NA NA +MJ010392 9-Eremophilen-11-ol C15H26O 222.198365 NA MeJP NA NA +MJ010393 9-Presilphiperfolanol C15H26O 222.198365 NA MeJP NA NA +MJ010394 ?-Caryophyllene alcohol C15H26O 222.198365 NA MeJP NA NA +MJ010395 ?-Monocyclonerolidol C15H26O 222.198365 NA MeJP NA NA +MJ010396 ?-Santal-10-en-3-ol C15H26O 222.198365 NA MeJP NA NA +MJ010397 Allocedrol C15H26O 222.198365 NA MeJP NA NA +MJ010398 Arenaran A C15H26O 222.198365 NA MeJP NA NA +MJ010399 Campherenol C15H26O 222.198365 NA MeJP NA NA +MJ010400 Caparrapioxide C15H26O 222.198365 NA MeJP NA NA +MJ010401 Cerapicol C15H26O 222.198365 NA MeJP NA NA +MJ010402 Ceratopicanol C15H26O 222.198365 NA MeJP NA NA +MJ010403 Chenopodanol C15H26O 222.198365 NA MeJP NA NA +MJ010404 Chokol K C15H26O 222.198365 NA MeJP NA NA +MJ010405 Cuprenenol C15H26O 222.198365 NA MeJP NA NA +MJ010406 Cyclobutylsesquilavandulol C15H26O 222.198365 NA MeJP NA NA +MJ010407 Cyclocuparanol C15H26O 222.198365 NA MeJP NA NA +MJ010408 Cycloeudesmol C15H26O 222.198365 NA MeJP NA NA +MJ010409 Dipterol C15H26O 222.198365 NA MeJP NA NA +MJ010410 Faurinone C15H26O 222.198365 NA MeJP NA NA +MJ010411 Ginsenol C15H26O 222.198365 NA MeJP NA NA +MJ010412 Gleenol C15H26O 222.198365 NA MeJP NA NA +MJ010413 Indonesiol C15H26O 222.198365 NA MeJP NA NA +MJ010414 Jinkohol II C15H26O 222.198365 NA MeJP NA NA +MJ010415 Junicedranol C15H26O 222.198365 NA MeJP NA NA +MJ010416 Junipercedrol C15H26O 222.198365 NA MeJP NA NA +MJ010417 Khusiol C15H26O 222.198365 NA MeJP NA NA +MJ010418 Koidzumiol C15H26O 222.198365 NA MeJP NA NA +MJ010419 Lancifolol C15H26O 222.198365 NA MeJP NA NA +MJ010420 Laurobtusol C15H26O 222.198365 NA MeJP NA NA +MJ010421 Longiborneol C15H26O 222.198365 NA MeJP NA NA +MJ010422 Maaliol C15H26O 222.198365 NA MeJP NA NA +MJ010423 Maalioxide C15H26O 222.198365 NA MeJP NA NA +MJ010424 Microbiotol C15H26O 222.198365 NA MeJP NA NA +MJ010425 Pacifigorgiol C15H26O 222.198365 NA MeJP NA NA +MJ010426 Peculiaroxide C15H26O 222.198365 NA MeJP NA NA +MJ010427 Prostantherol C15H26O 222.198365 NA MeJP NA NA +MJ010428 Sesquicineol C15H26O 222.198365 NA MeJP NA NA +MJ010429 Sesquilavandulol C15H26O 222.198365 NA MeJP NA NA +MJ010430 Sesquisabinene; 3,15-Dihydro, 3-hydroxy (cis-) C15H26O 222.198365 NA MeJP NA NA +MJ010431 Spirojatamol C15H26O 222.198365 NA MeJP NA NA +MJ010432 Striatol C15H26O 222.198365 NA MeJP NA NA +MJ010433 Tamariscol C15H26O 222.198365 NA MeJP NA NA +MJ010434 Tridensenal C15H26O 222.198365 NA MeJP NA NA +MJ010435 Tridensone C15H26O 222.198365 NA MeJP NA NA +MJ010436 Valeranone C15H26O 222.198365 NA MeJP NA NA +MJ010437 Viridianol C15H26O 222.198365 NA MeJP NA NA +MJ010438 Widdrol C15H26O 222.198365 NA MeJP NA NA +MJ010439 ?-Agarofuran; 3,4?-Dihydro C15H26O 222.198365 NA MeJP NA NA +MJ010440 ?-Caryophyllene alcohol C15H26O 222.198365 NA MeJP NA NA +MetaCyc02075 2-transS6-trans-farnesol [] C15H26O1 222.198365 NA metacyc NA NA +MetaCyc02076 2-cis,6-trans-farnesol [] C15H26O1 222.198365 3790-71-4 metacyc NA NA +C01126 2-trans,6-trans-Farnesol C15H26O 222.1984 NA KEGG NA NA +C03220 2-cis,6-trans-Farnesol C15H26O 222.1984 NA KEGG NA NA +C09621 (-)-alpha-Bisabolol C15H26O 222.1984 NA KEGG NA NA +C09628 Carotol C15H26O 222.1984 NA KEGG NA NA +C09631 alpha-Cedrol C15H26O 222.1984 NA KEGG NA NA +C09651 Cycloeudesmol C15H26O 222.1984 NA KEGG NA NA +C09663 alpha-Eudesmol C15H26O 222.1984 NA KEGG NA NA +C09664 beta-Eudesmol C15H26O 222.1984 NA KEGG NA NA +C09676 Guaiol C15H26O 222.1984 NA KEGG NA NA +C09682 Himachalol C15H26O 222.1984 NA KEGG NA NA +C09698 Ledol C15H26O 222.1984 NA KEGG NA NA +C09704 Nerolidol C15H26O 222.1984 NA KEGG NA NA +C09705 Patchouli alcohol C15H26O 222.1984 NA KEGG NA NA +C16143 (1E,4S,5E,7R)-Germacra-1(10),5-dien-11-ol C15H26O 222.1984 NA KEGG NA NA +C16813 Valeranone C15H26O 222.1984 NA KEGG NA NA +C16970 Hinesol C15H26O 222.1984 NA KEGG NA NA +C17124 gamma-Eudesmol C15H26O 222.1984 NA KEGG NA NA +MJ010441 Leontiformine; Deformyl C14H26N2 222.209598 NA MeJP NA NA +7951 synthetic peptide YYT 222.5865 MH2+ Inhouse_peptide NA peptide +7973 synthetic peptide YTY 222.5865 MH2+ Inhouse_peptide NA peptide +7975 synthetic peptide TYY 222.5865 MH2+ Inhouse_peptide NA peptide +8015 synthetic peptide LWQ 222.6105 MH2+ Inhouse_peptide NA peptide +7546 ACE inhibitor IKW 222.6285 MH2+ Inhouse_peptide NA peptide +8012 synthetic peptide LWK 222.6285 MH2+ Inhouse_peptide NA peptide +42 Muscle IKW 222.629 MH2+ Inhouse_peptide NA peptide +MJ010442 2,3-Dibromo-1H-pyrrole C4H3Br2N 222.863224 NA MeJP NA NA +MJ010443 5-Bromo-1H-indole-3-carboxaldehyde C9H6BrNO 222.963276 NA MeJP NA NA +MJ010444 6-Bromo-1H-indole-3-carboxaldehyde C9H6BrNO 222.963276 NA MeJP NA NA +PARAC029 UNKNOWN signif manip paracetamol NA 223.0018 RT4.3 PFEM_hmdb_metabocards_urine NA urine +PARAC029 UNKNOWN signif manip paracetamol NA 223.0018 RT4.3 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC029 UNKNOWN signif manip paracetamol NA 223.0018 RT4.3 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC029 UNKNOWN signif manip paracetamol NA 223.0018 RT4.3 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC029 UNKNOWN signif manip paracetamol NA 223.0018 RT4.3 HMDB NA NA +PARAC029 UNKNOWN signif manip paracetamol NA 223.0018 RT4.3 Inhouse_PFEM NA NA +PARAC029 UNKNOWN signif manip paracetamol NA 223.0018 RT4.3 PFEM_hmdb_metabocards_blood NA blood +PARAC029 UNKNOWN signif manip paracetamol NA 223.0018 RT4.3 PFEM_hmdb_metabocards_official NA NA +C04327 4-Methyl-5-(2-phosphoethyl)-thiazole C6H10NO4PS 223.0068 NA KEGG NA NA +C04328 5'-Phosphomonoester oligonucleotides C10H18O11P2R2 223.0068 NA KEGG NA NA +MJ010445 4-Methyl-5-(2-phosphoethyl)-thiazole C6H10NO4PS 223.006815 NA MeJP NA NA +MetaCyc02077 4-methyl-5-(β-hydroxyethyl)thiazole phosphate [4-4-methyl-5-(2-phosphonooxyethyl)-thiazole;4-methyl-5-(2-phosphoethyl)-thiazole;THZ-P;4-Methyl-5-(2-phosphono-oxyethyl)-thiazole;] C6H10N1O4P1S1 223.006815 NA metacyc NA NA +EUR248 Thiamin monophosphate F2 F2 223.007675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR248 Thiamine monophosphate F2 NA 223.007675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR248 Thiamin monophosphate F2 F2 223.007675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR248 Thiamine monophosphate F2 NA 223.007675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR248 Thiamin monophosphate F2 F2 223.007675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR248 Thiamine monophosphate F2 NA 223.007675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR248 Thiamin monophosphate F2 F2 223.007675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR248 Thiamin monophosphate F2 F2 223.007675 standards wishlist analysés sur QTOF HMDB NA NA +EUR248 Thiamin monophosphate F2 F2 223.007675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR248 Thiamine monophosphate F2 NA 223.007675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR248 Thiamin monophosphate F2 F2 223.007675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR248 Thiamin monophosphate F2 F2 223.007675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR242 Thiamin pyrophosphate F4 F4 223.010975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR242 Thiamine pyrophosphate F4 NA 223.010975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR242 Thiamin pyrophosphate F4 F4 223.010975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR242 Thiamine pyrophosphate F4 NA 223.010975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR242 Thiamin pyrophosphate F4 F4 223.010975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR242 Thiamine pyrophosphate F4 NA 223.010975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR242 Thiamin pyrophosphate F4 F4 223.010975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR242 Thiamin pyrophosphate F4 F4 223.010975 standards wishlist analysés sur QTOF HMDB NA NA +EUR242 Thiamin pyrophosphate F4 F4 223.010975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR242 Thiamine pyrophosphate F4 NA 223.010975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR242 Thiamin pyrophosphate F4 F4 223.010975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR242 Thiamin pyrophosphate F4 F4 223.010975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ010446 Tridentatol C C10H9NOS2 223.012555 NA MeJP NA NA +MetaCyc02078 8-seleno-octanoate [] C8H15O2SE1 223.023727 NA metacyc NA NA +MetaCyc02079 6-seleno-octanoate [] C8H15O2SE1 223.023727 NA metacyc NA NA +JH176 Glucosamine 6-phosphate [M+H-2H2O]+ NA 223.024 1.21 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH176 Glucosamine 6-phosphate [M+H-2H2O]+ NA 223.024 1.21 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH176 Glucosamine 6-phosphate [M+H-2H2O]+ NA 223.024 1.21 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH176 Glucosamine 6-phosphate [M+H-2H2O]+ NA 223.024 1.21 Inhousejuil11 NA NA +MJ010447 2-(2-Hydroxyphenyl)-4-thiazolecarboxylic acid; 4,5-Dihydro (S-) C10H9NO3S 223.030313 NA MeJP NA NA +MJ010448 4-Amino-1-naphthalenesulfonic acid C10H9NO3S 223.030313 NA MeJP NA NA +MJ010449 Brassicanal C C10H9NO3S 223.030313 NA MeJP NA NA +MJ010450 Bucillamine C7H13NO3S2 223.033684 NA MeJP NA NA +MJ010451 Xanthopterincarboxylic acid C7H5N5O4 223.034153 NA MeJP NA NA +MJ010452 Cyclocreatine; 3-Phosphate C5H10N3O5P 223.035806 NA MeJP NA NA +MJ010453 4-Chloro-1H-indole-3-acetic acid; Me ester C11H10ClNO2 223.040006 NA MeJP NA NA +MJ010454 1-(Chloromethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane C7H14ClNO3Si 223.043147 NA MeJP NA NA +HMDB04083 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid C10H9NO5 223.048065 NA HMDB2010 NA NA +HMDB04083 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate C10H9NO5 223.04807 http://www.hmdb.ca/metabolites/HMDB04083 HMDB NA NA +HMDB04083 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate C10H9NO5 223.04807 HMDB04083 PFEM_hmdb_metabocards_official NA NA +MJ010455 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate C10H9NO5 223.048072 NA MeJP NA NA +MJ010456 4-(2-Amino-5-hydroxyphenyl)-2,4-dioxobutanoate C10H9NO5 223.048072 NA MeJP NA NA +MJ010457 7,8-Dihydro-7,8-dihydroxykynurenate C10H9NO5 223.048072 NA MeJP NA NA +MJ010458 2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid C10H9NO5 223.048072 NA MeJP NA NA +MJ010459 2-Aminobenzoic acid; N-(Carboxyacetyl) C10H9NO5 223.048072 NA MeJP NA NA +MJ010460 Echinosporin C10H9NO5 223.048072 NA MeJP NA NA +MetaCyc02080 3-methyl-5-hydroxy-6-(3-carboxy-3-oxopropenyl)-1H-2-pyridon [] C10H9N1O5 223.048072 NA metacyc NA NA +MetaCyc02081 N-Malonylanthranilate [] C10H9N1O5 223.048072 NA metacyc NA NA +MetaCyc02082 7,8-dihydro-7,8-dihydroxykynurenate [] C10H9N1O5 223.048072 NA metacyc NA NA +C01249 7,8-Dihydro-7,8-dihydroxykynurenate C10H9NO5 223.0481 NA KEGG NA NA +C03147 N-Malonylanthranilate C10H9NO5 223.0481 NA KEGG NA NA +C03148 N-Methyl-L-amino acid C3H6NO2R 223.0481 NA KEGG NA NA +C05645 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate C10H9NO5 223.0481 NA KEGG NA NA +C05652 4-(2-Amino-5-hydroxyphenyl)-2,4-dioxobutanoate C10H9NO5 223.0481 NA KEGG NA NA +MJ010461 5-(4-Chlorophenyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one C10H10ClN3O 223.051239 NA MeJP NA NA +MJ010462 Clazolimine C10H10ClN3O 223.051239 NA MeJP NA NA +MJ010463 Cysteine, S-(3-Carboxy-3-hydroxypropyl) C7H13NO5S 223.051443 NA MeJP NA NA +MJ010464 Suritozole C10H10FN3S 223.057946 NA MeJP NA NA +MJ010465 2-Amino-4-(hydroxyphosphinyl)butanoic acid, N-Ac C7H14NO5P 223.060959 NA MeJP NA NA +MJ010466 Selfotel C7H14NO5P 223.060959 NA MeJP NA NA +C13735 Selfotel C7H14NO5P 223.061 NA KEGG NA NA +C17952 N-Acetylphosphinothricin C7H14NO5P 223.061 NA KEGG NA NA +C12182 Trisphaeridine C14H9NO2 223.0633 NA KEGG NA NA +C14444 2-Aminoanthraquinone C14H9NO2 223.0633 NA KEGG NA NA +MJ010467 4-Methylbenzo[g]quinoline-5,10-dione C14H9NO2 223.063328 NA MeJP NA NA +MJ010468 8,9-Methylenedioxyphenanthridine C14H9NO2 223.063328 NA MeJP NA NA +MJ010469 Niranin; 2'-Oxo C11H13NO2S 223.066699 NA MeJP NA NA +MJ010470 Tifemoxone C11H13NO2S 223.066699 NA MeJP NA NA +CJpos0585 1-methyluric acid [(M+H)+(CH3CN)]+ C8H10N5O3 223.069975 C18rt(min)=4.07 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0585 1-methyluric acid [(M+H)+(CH3CN)]+ C8H10N5O3 223.069975 C18rt(min)=4.07 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ010471 3,9-Dihydro-1,3,9-trimethyl-8-nitroso-1H-purine-2,6-dione C8H9N5O3 223.070539 NA MeJP NA NA +MJ010472 4,8-Dihydropyrimido[5,4-e]-1,2,4-triazine-3,5,7(6H)-trione; 2,6,8-Tri-Me C8H9N5O3 223.070539 NA MeJP NA NA +MJ010473 Asperopterin B C8H9N5O3 223.070539 NA MeJP NA NA +MJ010474 Erinacean C8H9N5O3 223.070539 NA MeJP NA NA +MJ010475 N-(Aminoiminomethyl)-N'-(4-nitrophenyl)urea C8H9N5O3 223.070539 NA MeJP NA NA +MJ010476 1-Phenazinecarboxylic acid; Amide C13H9N3O 223.074561 NA MeJP NA NA +CJpos0586 Acetyltyrosine isomer [(M+H)]+ C11H14NO4 223.083875 C18rt(min)=4.4 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0586 Acetyltyrosine isomer [(M+H)]+ C11H14NO4 223.083875 C18rt(min)=4.4 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +HMDB00866 N-Acetyl-L-tyrosine C11H13NO4 223.084457 NA HMDB2010 NA NA +MJ010477 1,2,3,4-Tetrahydro-6,7-dihydroxy-1-methyl-3-isoquinolinecarboxylic acid C11H13NO4 223.084457 NA MeJP NA NA +MJ010478 5-(Hydroxymethyl)-3-(4-methoxyphenyl)-2-oxazolidinone C11H13NO4 223.084457 NA MeJP NA NA +MJ010479 Bendiocarb, ANSI C11H13NO4 223.084457 NA MeJP NA NA +MJ010480 Cytoxazone C11H13NO4 223.084457 NA MeJP NA NA +MJ010481 Gardenamide C11H13NO4 223.084457 NA MeJP NA NA +MJ010482 Mephenoxalone C11H13NO4 223.084457 NA MeJP NA NA +MJ010483 Moxadolen C11H13NO4 223.084457 NA MeJP NA NA +MJ010484 Plectrodorine C11H13NO4 223.084457 NA MeJP NA NA +HMDB00866 N-Acetyl-L-tyrosine C11H13NO4 223.08446 http://www.hmdb.ca/metabolites/HMDB00866 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00866 N-Acetyl-L-tyrosine C11H13NO4 223.08446 http://www.hmdb.ca/metabolites/HMDB00866 HMDB NA NA +HMDB00866 N-Acetyl-L-tyrosine C11H13NO4 223.08446 Medium chain acyl carnitines ;SYN:(-)-Lauroylcarnitine; (R)-Dodecanoylcarnitine; Dodecanoyl-L-carnitine; L-Carnitine dodecanoyl ester; Lauroyl-L(-)-carnitin; Lauroyl-L-carnitine; LauroylcarnitineH2Blood; Urine Inhouse_peptide NA peptide +HMDB00866 N-Acetyl-L-tyrosine C11H13NO4 223.08446 http://www.hmdb.ca/metabolites/HMDB00866 PFEM_hmdb_metabocards_blood NA blood +HMDB00866 N-Acetyl-L-tyrosine C11H13NO4 223.08446 HMDB00866 PFEM_hmdb_metabocards_official NA NA +C14433 Bendiocarb C11H13NO4 223.0845 NA KEGG NA NA +C02778 2-Acetamidofluorene C15H13NO 223.0997 NA KEGG NA NA +MJ010485 4,5-Dihydro-2,5-diphenyloxazole C15H13NO 223.099714 NA MeJP NA NA +MetaCyc02083 2-acetamidofluorene [] C15H13N1O1 223.099714 53-96-3 metacyc NA NA +8007 synthetic peptide LWE 223.1025 MH2+ Inhouse_peptide NA peptide +8228 ACE inhibitor IEW 223.1025 MH2+ Inhouse_peptide NA peptide +MJ010486 Tiletamine C12H17NOS 223.103084 NA MeJP NA NA +MetaCyc02084 N-acetyl -D- glucosaminitol [2-Acetamido-2-deoxy-D-glucitol;D-Glucitol, 2-(acetylamino)-2-deoxy-;2-Acetamido-2-deoxyglucitol;] C8H17N1O6 223.105587 4271-28-7 metacyc NA NA +C10919 Mepanipyrim C14H13N3 223.1109 NA KEGG NA NA +MJ010487 2-(5-Ethyl-2-pyridinyl)-1H-benzimidazole C14H13N3 223.110947 NA MeJP NA NA +MJ010488 Fadrozole C14H13N3 223.110947 NA MeJP NA NA +EUR265 Nicotinamide adenine di nucleotide F5 F5 223.120075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR265 Nicotinamide adenine di nucleotide F5 NA 223.120075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR265 Nicotinamide adenine di nucleotide F5 F5 223.120075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR265 Nicotinamide adenine di nucleotide F5 NA 223.120075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR265 Nicotinamide adenine di nucleotide F5 F5 223.120075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR265 Nicotinamide adenine di nucleotide F5 NA 223.120075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR265 Nicotinamide adenine di nucleotide F5 F5 223.120075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR265 Nicotinamide adénine di nucléotide F5 F5 223.120075 standards wishlist analysés sur QTOF HMDB NA NA +EUR265 Nicotinamide adenine di nucleotide F5 F5 223.120075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR265 Nicotinamide adenine di nucleotide F5 NA 223.120075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR265 Nicotinamide adenine di nucleotide F5 F5 223.120075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR265 Nicotinamide adenine di nucleotide F5 F5 223.120075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C12058 Cerulenin C12H17NO3 223.1208 NA KEGG NA NA +C13138 beta-Butoxyethyl nicotinate C12H17NO3 223.1208 NA KEGG NA NA +C13139 Transferred to D01678 C12H17NO3 223.1208 NA KEGG NA NA +C16704 Anhalonidine C12H17NO3 223.1208 NA KEGG NA NA +MJ010489 1,2,3,4-Tetrahydro-5,6,7-trimethoxy-2-methylisoquinoline; N-De-Me C12H17NO3 223.120843 NA MeJP NA NA +MJ010490 1,2,3,4-Tetrahydro-6-hydroxy-7,8-dimethoxy-1-methylisoquinoline C12H17NO3 223.120843 NA MeJP NA NA +MJ010491 1,2,3,4-Tetrahydro-6-hydroxy-7,8-dimethoxy-2-methylisoquinoline C12H17NO3 223.120843 NA MeJP NA NA +MJ010492 1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxy-2-methylisoquinoline C12H17NO3 223.120843 NA MeJP NA NA +MJ010493 2-Amino-5-(4-methoxyphenyl)pentanoic acid C12H17NO3 223.120843 NA MeJP NA NA +MJ010494 3,4-Dimethoxyphenethylamine; N-Ac C12H17NO3 223.120843 NA MeJP NA NA +MJ010495 Anhalonidine C12H17NO3 223.120843 NA MeJP NA NA +MJ010496 Anisomycin, O-De-Ac C12H17NO3 223.120843 NA MeJP NA NA +MJ010497 Bucetin C12H17NO3 223.120843 NA MeJP NA NA +MJ010498 Bufexamac C12H17NO3 223.120843 NA MeJP NA NA +MJ010499 Calycotomine C12H17NO3 223.120843 NA MeJP NA NA +MJ010500 Cerulenin C12H17NO3 223.120843 NA MeJP NA NA +MJ010501 Etamivan C12H17NO3 223.120843 NA MeJP NA NA +MJ010502 Hedycarine C12H17NO3 223.120843 NA MeJP NA NA +MJ010503 Norbudrine C12H17NO3 223.120843 NA MeJP NA NA +MJ010504 Phenisonone C12H17NO3 223.120843 NA MeJP NA NA +MJ010505 Rimiterol C12H17NO3 223.120843 NA MeJP NA NA +MJ010506 Spartocytisine C12H17NO3 223.120843 NA MeJP NA NA +MJ010507 Spicatine C12H17NO3 223.120843 NA MeJP NA NA +MJ010508 Stemoamide C12H17NO3 223.120843 NA MeJP NA NA +MJ010509 Choline; O-(4-Hydroxybenzoyl) C12H18NO3(+) 223.120843 NA MeJP NA NA +MJ010510 Tyrosine, N,N,N-Tri-Me, betaine C12H18NO3(+) 223.120843 NA MeJP NA NA +MetaCyc02085 cerulenin [(2S,3R)-2,3-epoxy-4-oxy-7,10-dodecadienoylamide;] C12H17N1O3 223.120843 NA metacyc NA NA +EUR275 Adenosine monophosphate F2 F2 223.121775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR275 Adenosine monophosphate F2 NA 223.121775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR275 Adenosine monophosphate F2 F2 223.121775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR275 Adenosine monophosphate F2 NA 223.121775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR275 Adenosine monophosphate F2 F2 223.121775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR275 Adenosine monophosphate F2 NA 223.121775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR275 Adenosine monophosphate F2 F2 223.121775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR275 Adenosine monophosphate F2 F2 223.121775 standards wishlist analysés sur QTOF HMDB NA NA +EUR275 Adenosine monophosphate F2 F2 223.121775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR275 Adenosine monophosphate F2 NA 223.121775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR275 Adenosine monophosphate F2 F2 223.121775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR275 Adenosine monophosphate F2 F2 223.121775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR313 Nicotinamide adenine di nucleotide phosphate F6 F6 223.122675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR313 Nicotinamide adenine di nucleotide phosphate F6 NA 223.122675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR313 Nicotinamide adenine di nucleotide phosphate F6 F6 223.122675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR313 Nicotinamide adenine di nucleotide phosphate F6 NA 223.122675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR313 Nicotinamide adenine di nucleotide phosphate F6 F6 223.122675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR313 Nicotinamide adenine di nucleotide phosphate F6 NA 223.122675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR313 Nicotinamide adenine di nucleotide phosphate F6 F6 223.122675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR313 Nicotinamide adénine di nucléotide phosphate F6 F6 223.122675 standards wishlist analysés sur QTOF HMDB NA NA +EUR313 Nicotinamide adenine di nucleotide phosphate F6 F6 223.122675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR313 Nicotinamide adenine di nucleotide phosphate F6 NA 223.122675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR313 Nicotinamide adenine di nucleotide phosphate F6 F6 223.122675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR313 Nicotinamide adenine di nucleotide phosphate F6 F6 223.122675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR297 Vitamin B6 F2 F2 223.124975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR297 Vitamine B6 F2 NA 223.124975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR297 Vitamin B6 F2 F2 223.124975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR297 Vitamine B6 F2 NA 223.124975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR297 Vitamin B6 F2 F2 223.124975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR297 Vitamine B6 F2 NA 223.124975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR297 Vitamin B6 F2 F2 223.124975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR297 Vitamin B6 F2 F2 223.124975 standards wishlist analysés sur QTOF HMDB NA NA +EUR297 Vitamin B6 F2 F2 223.124975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR297 Vitamine B6 F2 NA 223.124975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR297 Vitamin B6 F2 F2 223.124975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR297 Vitamin B6 F2 F2 223.124975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ010511 1,6,7,8,9,9a-Hexahydro-6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide, N1-Me C11H17N3O2 223.132076 NA MeJP NA NA +MJ010512 Murexine C11H18N3O2(+) 223.132076 NA MeJP NA NA +HMDB04087 1-Benzyl-1,2,3,4-tetrahydroisoquinoline C16H17N 223.13609 http://www.hmdb.ca/metabolites/HMDB04087 HMDB NA NA +HMDB04087 1-Benzyl-1,2,3,4-tetrahydroisoquinoline C16H17N 223.13609 HMDB04087 PFEM_hmdb_metabocards_official NA NA +HMDB04087 1-Benzyl-1,2,3,4-tetrahydroisoquinoline C16H17N 223.136093 NA HMDB2010 NA NA +C05201 (R,S)-Tetrahydrobenzylisoquinoline C16H17N 223.1361 NA KEGG NA NA +MJ010513 6-Amino-7,8-dihydro-2-hydroxypurine; 6-N-(3-Methylbutyl) C10H17N5O 223.14331 NA MeJP NA NA +C07258 Neostigmine C12H19N2O2 223.1447 NA KEGG NA NA +C10868 Tigloidine C13H21NO2 223.1572 NA KEGG NA NA +MJ010514 1-Hydroxymethylpyrrolizidine, Tigloyl C13H21NO2 223.157228 NA MeJP NA NA +MJ010515 3-Tigloyloxytropane C13H21NO2 223.157228 NA MeJP NA NA +MJ010516 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(3-Methyl-2-butenoyl) C13H21NO2 223.157228 NA MeJP NA NA +MJ010517 Anodendrine C13H21NO2 223.157228 NA MeJP NA NA +MJ010518 Dimoxamine C13H21NO2 223.157228 NA MeJP NA NA +MJ010519 Dioscorine; 4'S,5'-Dihydro C13H21NO2 223.157228 NA MeJP NA NA +MJ010520 Dumetorine C13H21NO2 223.157228 NA MeJP NA NA +MJ010521 Guaiactamine C13H21NO2 223.157228 NA MeJP NA NA +MJ010522 Kopsilactone C13H21NO2 223.157228 NA MeJP NA NA +MJ010523 Polonicumtoxin C; O-Ac C13H21NO2 223.157228 NA MeJP NA NA +MJ010524 Toliprolol C13H21NO2 223.157228 NA MeJP NA NA +MJ010525 2,4-Decadienoic isobutylamide C14H25NO 223.193614 NA MeJP NA NA +MJ010526 6,8-Decadienoic acid, N-(2-Methylpropyl)amide C14H25NO 223.193614 NA MeJP NA NA +MJ010527 Dendrobates Alkaloid 223G C14H25NO 223.193614 NA MeJP NA NA +MJ010528 Dicarprine C; O,N-Di-Me C14H25NO 223.193614 NA MeJP NA NA +MJ010529 2,5-Dialkylpyrrolidines; 2-Butyl-5-heptylpyrrolidine, 1,5-Didehydro C15H29N 223.229999 NA MeJP NA NA +MJ010530 2,5-Dialkylpyrrolidines; 2-Hexyl-5-pentylpyrrolidine, 5',6'-Didehydro C15H29N 223.229999 NA MeJP NA NA +MJ010531 2,6-Di-4-pentenylpiperidine, 4',5'-Dihydro C15H29N 223.229999 NA MeJP NA NA +MJ010532 3-Butyl-5-propylindolizidine C15H29N 223.229999 NA MeJP NA NA +MJ010533 3-Heptyl-5-methylpyrrolizidine C15H29N 223.229999 NA MeJP NA NA +MJ010534 3-Hexyl-5-methylindolizidine C15H29N 223.229999 NA MeJP NA NA +MJ010535 5-Butyl-8-propylindolizidine C15H29N 223.229999 NA MeJP NA NA +MJ010536 Dendrobates Alkaloid 219A; Tetrahydro C15H29N 223.229999 NA MeJP NA NA +MJ010537 Dendrobates Alkaloid 223B C15H29N 223.229999 NA MeJP NA NA +MJ010538 Dendrobates Alkaloid 223C C15H29N 223.229999 NA MeJP NA NA +MJ010539 Dendrobates Alkaloid 223D C15H29N 223.229999 NA MeJP NA NA +8094 peptide derived from porcine collagen LQGM 223.6017 MH2+ Inhouse_peptide NA peptide +C17379 Lead oxide PbO 223.9716 NA KEGG NA NA +MJ010540 Puberulonic acid C9H4O7 223.995702 NA MeJP NA NA +C16455 Radium-224 Ra 224.0202 NA KEGG NA NA +PJ000059 CC C6H12N2O3S2 224.0289 NA PeJP NA NA +MJ010541 Oxidized thioredoxin C6H12N2O3S2 224.028933 NA MeJP NA NA +MJ010542 2-(1,2-Dioxopropyl)-4,6-dihydroxybenzoic acid C10H8O6 224.032087 NA MeJP NA NA +MJ010543 Chorismic acid; 3,4-Didehydro C10H8O6 224.032087 NA MeJP NA NA +C02980 Hydroxyanthraquinone C14H8O3 224.0473 NA KEGG NA NA +MJ010544 1-Hydroxyanthraquinone C14H8O3 224.047344 NA MeJP NA NA +MJ010545 2-Hydroxyanthraquinone C14H8O3 224.047344 NA MeJP NA NA +MetaCyc02086 hydroxyanthraquinone [1-hydroxyanthraquinone;] C14H8O3 224.047344 NA metacyc NA NA +MJ010546 Nifuradene C8H8N4O4 224.054554 NA MeJP NA NA +MJ010547 1-Phenazinecarboxylic acid C13H8N2O2 224.058577 NA MeJP NA NA +MJ010548 2,3,3a,4-Tetrahydro-1H-pyrrolo[2,1-c][1,2,4]-benzothiadiazine 5,5-dioxide C10H12N2O2S 224.061948 NA MeJP NA NA +JH161 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+ C11H12O5 224.0678 Rtobs13.56 PFEM_hmdb_metabocards_urine NA urine +JH161 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+ C11H12O5 224.0678 13.56 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH161 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+ C11H12O5 224.0678 Rtobs13.56 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH161 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+ C11H12O5 224.0678 13.56 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH161 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+ C11H12O5 224.0678 Rtobs13.56 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH161 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+ C11H12O5 224.0678 13.56 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH161 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+ C11H12O5 224.0678 Rtobs13.56 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH161 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+ C11H12O5 224.0678 Rtobs13.56 HMDB NA NA +JH161 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+ C11H12O5 224.0678 Rtobs13.56 Inhouse_PFEM NA NA +JH161 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+ C11H12O5 224.0678 13.56 Inhousejuil11 NA NA +JH161 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+ C11H12O5 224.0678 Rtobs13.56 PFEM_hmdb_metabocards_blood NA blood +JH161 Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+ C11H12O5 224.0678 Rtobs13.56 PFEM_hmdb_metabocards_official NA NA +MJ010549 2,4,6-Trihydroxy-5-methyl-3(2H)-benzofuranone, 2,6-Di-Me ether C11H12O5 224.068473 NA MeJP NA NA +MJ010550 2,4,6-Trihydroxy-7-methyl-3(2H)-benzofuranone, 2,6-Di-Me ether C11H12O5 224.068473 NA MeJP NA NA +MJ010551 2-Benzyl-2-hydroxybutanedioic acid C11H12O5 224.068473 NA MeJP NA NA +MJ010552 2-Formyl-3-(hydroxymethyl)-6-methoxy-5-methylbenzoic acid C11H12O5 224.068473 NA MeJP NA NA +MJ010553 2-Hydroxy-6-hydroxymethyl-3,5-dimethyl-1,4-benzoquinone; ?-O-Ac C11H12O5 224.068473 NA MeJP NA NA +MJ010554 3,4-Dihydro-8-hydroxy-7-hydroxymethyl-6-methoxy-1H-2-benzopyran-1-one C11H12O5 224.068473 NA MeJP NA NA +MJ010555 3,5,6-Trihydroxy-3-methyl-1H-2-benzopyran-4-one, 6-Me ether C11H12O5 224.068473 NA MeJP NA NA +MJ010556 3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3,5-Di-Me ether C11H12O5 224.068473 NA MeJP NA NA +MJ010557 3-Acetyl-2,6-dihydroxy-4-methoxy-5-methylbenzaldehyde C11H12O5 224.068473 NA MeJP NA NA +MJ010558 3-Formyl-2,4-dihydroxy-6-methylbenzoic acid; Et ester C11H12O5 224.068473 NA MeJP NA NA +MJ010559 4-(1-Butenyl)-2,5-dihydro-2,5-dioxo-3-furanpropanoic acid C11H12O5 224.068473 NA MeJP NA NA +MJ010560 5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone; 1'-Methoxy C11H12O5 224.068473 NA MeJP NA NA +MJ010561 5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone; 7-Me ether, 1'-hydroxy C11H12O5 224.068473 NA MeJP NA NA +MJ010562 ?-Citreopyrone C11H12O5 224.068473 NA MeJP NA NA +MJ010563 Coniothyriol C11H12O5 224.068473 NA MeJP NA NA +MJ010564 Convolvulopyrone C11H12O5 224.068473 NA MeJP NA NA +MJ010565 Elenolide C11H12O5 224.068473 NA MeJP NA NA +MJ010566 Macrophic acid C11H12O5 224.068473 NA MeJP NA NA +MJ010567 Multiforisin A C11H12O5 224.068473 NA MeJP NA NA +MJ010568 Plumbagic acid C11H12O5 224.068473 NA MeJP NA NA +MJ010569 Plumbolactone B C11H12O5 224.068473 NA MeJP NA NA +MJ010570 Rosigenin; 6-Epimer, 4',6'-didehydro C11H12O5 224.068473 NA MeJP NA NA +MJ010571 Sepedonin C11H12O5 224.068473 NA MeJP NA NA +MJ010572 Sinapate C11H12O5 224.068473 NA MeJP NA NA +MetaCyc02087 sinapate [] C11H12O5 224.068473 530-59-6 metacyc NA NA +C00482 Sinapate C11H12O5 224.0685 NA KEGG NA NA +MJ010573 Propyl 1-(propylthio)propyl disulfide C9H20S3 224.072712 NA MeJP NA NA +C02794 3-Hydroxykynurenine C10H12N2O4 224.0797 NA KEGG NA NA +C03227 3-Hydroxy-L-kynurenine C10H12N2O4 224.0797 NA KEGG NA NA +C05651 5-Hydroxykynurenine C10H12N2O4 224.0797 NA KEGG NA NA +C07312 Stavudine C10H12N2O4 224.0797 NA KEGG NA NA +MJ010574 2-(4-Hydroxy-3-nitrophenyl)ethylamine; N-Ac C10H12N2O4 224.079706 NA MeJP NA NA +MJ010575 3-Hydroxykynurenine C10H12N2O4 224.079706 NA MeJP NA NA +MJ010576 Nicotianine C10H12N2O4 224.079706 NA MeJP NA NA +MJ010577 Stavudine C10H12N2O4 224.079706 NA MeJP NA NA +MJ010578 3-Hydroxy-L-kynurenine C10H12N2O4 224.079706 NA MeJP NA NA +MJ010579 5-Hydroxykynurenine C10H12N2O4 224.079706 NA MeJP NA NA +MetaCyc02088 3-hydroxy-L-kynurenine [L-3-hydroxykynurenine;3-hydroxy-kynurenine;] C10H12N2O4 224.079707 606-14-4 metacyc NA NA +HMDB00732 Hydroxykynurenine C10H12N2O4 224.07971 http://www.hmdb.ca/metabolites/HMDB00732 PFEM_hmdb_metabocards_urine NA urine +HMDB00732 Hydroxykynurenine C10H12N2O4 224.07971 http://www.hmdb.ca/metabolites/HMDB00732 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00732 Hydroxykynurenine C10H12N2O4 224.07971 http://www.hmdb.ca/metabolites/HMDB00732 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00732 Hydroxykynurenine C10H12N2O4 224.07971 http://www.hmdb.ca/metabolites/HMDB00732 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00732 Hydroxykynurenine C10H12N2O4 224.07971 http://www.hmdb.ca/metabolites/HMDB00732 HMDB NA NA +HMDB00732 Hydroxykynurenine C10H12N2O4 224.07971 Dipeptides ;SYN:Histidyl-proline-diketopiperazine; Histidyl-proline diketopiperazine; Cyclo(his-pro); Cyclo(histidyl-prolyl); His-pro-DKPH2Blood Inhouse_peptide NA peptide +HMDB00732 Hydroxykynurenine C10H12N2O4 224.07971 http://www.hmdb.ca/metabolites/HMDB00732 PFEM_hmdb_metabocards_blood NA blood +HMDB00732 Hydroxykynurenine C10H12N2O4 224.07971 HMDB00732 PFEM_hmdb_metabocards_official NA NA +HMDB00732 Hydroxykynurenine C10H12N2O4 224.079712 NA HMDB2010 NA NA +HMDB11631 L-3-Hydroxykynurenine C10H12N2O4 224.079712 NA HMDB2010 NA NA +HMDB12819 5-Hydroxykynurenine C10H12N2O4 224.079712 NA HMDB2010 NA NA +CJneg0415 Azelaic acid [(M+Cl)]- C9H16ClO4 224.082125 C18rt(min)=7.01 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0415 Azelaic acid [(M+Cl)]- C9H16ClO4 224.082125 C18rt(min)=7.01 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ010580 3-(6-Chloro-3-pyridazinyl)-3,8-diazabicyclo[3.2.1]octane C10H13ClN4 224.082874 NA MeJP NA NA +C00766 Flavanone C15H12O2 224.0837 NA KEGG NA NA +C01927 Isoflavanone C15H12O2 224.0837 NA KEGG NA NA +C01928 Ketoaldehyde C2HO2R 224.0837 NA KEGG NA NA +C02099 (2S)-Flavanone C15H12O2 224.0837 NA KEGG NA NA +C02100 (5')ppPur-mRNA C10H19O16P3R2 224.0837 NA KEGG NA NA +C02101 Glucomannan longer by one mannose unit C6H12O6 224.0837 NA KEGG NA NA +C02103 (S)-2-Haloacid C2H2O2XR 224.0837 NA KEGG NA NA +C09321 2'-Hydroxychalcone C15H12O2 224.0837 NA KEGG NA NA +C14231 4-Hydroxychalcone C15H12O2 224.0837 NA KEGG NA NA +C14232 4'-Hydroxychalcone C15H12O2 224.0837 NA KEGG NA NA +C16208 1-Methoxy-2-hydroxyanthracene C15H12O2 224.0837 NA KEGG NA NA +MJ010581 2,10,12-Tridecatriene-4,6,8-triyn-1-ol, Ac C15H12O2 224.083729 NA MeJP NA NA +MJ010582 3,5,7,9,11-Tridecapentayne-1,2-diol; Di-Me ether C15H12O2 224.083729 NA MeJP NA NA +MJ010583 3,5-Dimethyl-4-methylenenaphtho[2,3-b]furan-9(4H)-one C15H12O2 224.083729 NA MeJP NA NA +MJ010584 3-(4-Hydroxyphenyl)-1-phenyl-2-propen-1-one C15H12O2 224.083729 NA MeJP NA NA +MJ010585 7-Phenyl-2-heptene-4,6-diyn-1-ol, Ac C15H12O2 224.083729 NA MeJP NA NA +MetaCyc02089 flavanone [2,3-dihydroflavone;] C15H12O2 224.08373 NA metacyc NA NA +MetaCyc02090 (2S)-flavanone [] C15H12O2 224.08373 NA metacyc NA NA +MJ010586 Antibiotic 834B1 C12H16O2S 224.0871 NA MeJP NA NA +MJ010587 D-glycero-D-galacto-Heptose; ?-Pyranose-form, Me glycoside C8H16O7 224.089602 NA MeJP NA NA +MJ010588 D-glycero-L-manno-Heptose; ?-Pyranose-form, Me glycoside C8H16O7 224.089602 NA MeJP NA NA +HMDB04328 Temurin C9H12N4O3 224.09094 http://www.hmdb.ca/metabolites/HMDB04328 HMDB NA NA +MJ010589 Etofylline C9H12N4O3 224.09094 NA MeJP NA NA +MJ010590 Uric acid; 1,3,7,9-Tetra-Me C9H12N4O3 224.09094 NA MeJP NA NA +HMDB04328 Temurin C9H12N4O3 224.09094 HMDB04328 PFEM_hmdb_metabocards_official NA NA +HMDB04328 Temurin C9H12N4O3 224.090942 NA HMDB2010 NA NA +7816 ACE inhibitor from chickpea legumin MDLA 224.09415 MH2+ Inhouse_peptide NA peptide +MJ010591 1-Vinyl-?-carboline; N-Methoxy C14H12N2O 224.094963 NA MeJP NA NA +MJ010592 4-Methoxy-1-vinyl-?-carboline C14H12N2O 224.094963 NA MeJP NA NA +8013 synthetic peptide LWM 224.1017 MH2+ Inhouse_peptide NA peptide +CJpos0587 Heptylmalonic acid [(M+Na)]+ C10H18NaO4 224.101875 C18rt(min)=6.05 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0587 Heptylmalonic acid [(M+Na)]+ C10H18NaO4 224.101875 C18rt(min)=6.05 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJneg0416 Sebacic acid [(M-2H)+Na]- C10H16O4Na 224.103025 C18rt(min)=7.65 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0416 Sebacic acid [(M-2H)+Na]- C10H16O4Na 224.103025 C18rt(min)=7.65 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ010593 (2,5-Dihydroxyphenyl)acetic acid; 5-Butyl ether C12H16O4 224.104859 NA MeJP NA NA +MJ010594 1,2,4-Trimethoxy-5-(1-propenyl)benzene, 1'R*,2'R*-Epoxide C12H16O4 224.104859 NA MeJP NA NA +MJ010595 1,2,4-Trimethoxy-5-(1-propenyl)benzene, 1'R*,2'S*-Epoxide C12H16O4 224.104859 NA MeJP NA NA +MJ010596 1,8-Dihydroxy-6-methoxy-3,7-dimethylisochroman C12H16O4 224.104859 NA MeJP NA NA +MJ010597 1-(2,4,5-Trihydroxyphenyl)-1-propanone; Tri-Me ether C12H16O4 224.104859 NA MeJP NA NA +MJ010598 1-(2,4,5-Trihydroxyphenyl)-2-propanone; Tri-Me ether C12H16O4 224.104859 NA MeJP NA NA +MJ010599 1-(2,4,6-Trihydroxyphenyl)-1-butanone; 2,4-Di-Me ether C12H16O4 224.104859 NA MeJP NA NA +MJ010600 1-(3,4,5-Trihydroxyphenyl)-1-propanone; Tri-Me ether C12H16O4 224.104859 NA MeJP NA NA +MJ010601 1-(3,4-Dihydroxyphenyl)-3-hydroxy-1-propanone; 3-Et, 3'-Me ether C12H16O4 224.104859 NA MeJP NA NA +MJ010602 2,3-Dihydro-5,6-dihydroxy-2-(1-hydroxy-1-methylethyl)benzofuran, 6-Me ether C12H16O4 224.104859 NA MeJP NA NA +MJ010603 2,4-Dihydroxy-6-pentylbenzoic acid C12H16O4 224.104859 NA MeJP NA NA +MJ010604 2-Acetyl-5-methoxy-4,6,6-trimethyl-4-cyclohexene-1,3-dione C12H16O4 224.104859 NA MeJP NA NA +MJ010605 2-Methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-propanone; 4'-Me ether C12H16O4 224.104859 NA MeJP NA NA +MJ010606 3,4-Dihydro-3,4-dihydroxy-2,2-dimethyl-6-methoxy-2H-1-benzopyran C12H16O4 224.104859 NA MeJP NA NA +MJ010607 3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3',4',5'-Tri-Me ether C12H16O4 224.104859 NA MeJP NA NA +MJ010608 3-(3,4-Dihydroxyphenyl)-1-propanol; 3'-Me ether, 1-Ac C12H16O4 224.104859 NA MeJP NA NA +MJ010609 3-(3,5-Dihydroxy-2-methylphenyl)-2-butanol; O2-Formyl C12H16O4 224.104859 NA MeJP NA NA +MJ010610 4-(3,4-Dimethoxyphenyl)-3-butene-1,2-diol C12H16O4 224.104859 NA MeJP NA NA +MJ010611 4-Hydroxy-3-(1-hydroxypentyl)benzoic acid C12H16O4 224.104859 NA MeJP NA NA +MJ010612 4-Vinyl-1,2,3,5-benzenetetrol; Tetra-Me ether C12H16O4 224.104859 NA MeJP NA NA +MJ010613 5,6-Dihydro-4-hydroxy-6-methyl-5-methylene-3-(2-methyl-1-oxobutyl)-2H-pyran-2-one C12H16O4 224.104859 NA MeJP NA NA +MJ010614 6-Ethyl-2,4-dihydroxy-3-methylbenzoic acid; Et ester C12H16O4 224.104859 NA MeJP NA NA +MJ010615 Arthropsadiol B C12H16O4 224.104859 NA MeJP NA NA +MJ010616 Arthropsatriol A; 7-Ketone C12H16O4 224.104859 NA MeJP NA NA +MJ010617 Dhelwangin C12H16O4 224.104859 NA MeJP NA NA +MJ010618 Diplosporin C12H16O4 224.104859 NA MeJP NA NA +MJ010619 Ligustilide; 6,7-Dihydro, 6R*,7R*-dihydroxy, (E)-isomer C12H16O4 224.104859 NA MeJP NA NA +MJ010620 Ligustilide; 6,7-Dihydro, 6R*,7S*-dihydroxy, (E)-isomer C12H16O4 224.104859 NA MeJP NA NA +MJ010621 Ligustilide; 6,7-Dihydro, 6S,7R-dihydroxy C12H16O4 224.104859 NA MeJP NA NA +MJ010622 Ligustilide; 6,7-Dihydro, 6S,7S-dihydroxy C12H16O4 224.104859 NA MeJP NA NA +MJ010623 Ligustilidiol C12H16O4 224.104859 NA MeJP NA NA +MJ010624 Phomapyrone B C12H16O4 224.104859 NA MeJP NA NA +MJ010625 Sordariol C12H16O4 224.104859 NA MeJP NA NA +MetaCyc02091 olivetolic acid [olivetolate;2,4-dihydroxy-6-pentylbenzoic acid;beta-resorcyclic acid;] C12H16O4 224.104859 NA metacyc NA NA +C10673 Aspidinol C12H16O4 224.1049 NA KEGG NA NA +C16038 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine C13H12N4 224.1062 NA KEGG NA NA +C16039 alpha-Neoendorphin C13H12N4 224.1062 NA KEGG NA NA +C16040 beta-Neoendorphin C13H12N4 224.1062 NA KEGG NA NA +C16041 Leu-enkephalin C13H12N4 224.1062 NA KEGG NA NA +C16042 Met-enkephalin-Arg-Gly-Leu C13H12N4 224.1062 NA KEGG NA NA +C16043 Met-enkephalin-Arg-Phe C13H12N4 224.1062 NA KEGG NA NA +MJ010626 2,6-Dimethyl-1-heptanol, O-Sulfate C9H20O4S 224.108229 NA MeJP NA NA +7982 synthetic peptide HRH 224.1085 MH2+ Inhouse_peptide NA peptide +7987 synthetic peptide RHH 224.1085 MH2+ Inhouse_peptide NA peptide +3093 gliadin 2 exorphin YPLG 224.11 MH2+ Inhouse_peptide NA peptide +7552 ACE inhibitor VFPS 224.11 MH2+ Inhouse_peptide NA peptide +MJ010627 1,4-Butanediamine; N-(2,3-Dihydroxybenzoyl) C11H16N2O3 224.116092 NA MeJP NA NA +MJ010628 Butalbital C11H16N2O3 224.116092 NA MeJP NA NA +MJ010629 N-?-Alanyldopamine C11H16N2O3 224.116092 NA MeJP NA NA +MJ010630 Nifenalol C11H16N2O3 224.116092 NA MeJP NA NA +MJ010631 Talbutal C11H16N2O3 224.116092 NA MeJP NA NA +MJ010632 Vinbarbital C11H16N2O3 224.116092 NA MeJP NA NA +MJ010633 Vinylbital C11H16N2O3 224.116092 NA MeJP NA NA +C14277 3,4-Diphenyltetrahydrofuran C16H16O 224.1201 NA KEGG NA NA +C17020 Navenone B C16H16O 224.1201 NA KEGG NA NA +MJ010634 1,6,8-Hexadecatriene-10,12,14-triyne, 6,7-Epoxide C16H16O 224.120115 NA MeJP NA NA +MJ010635 10-Phenyl-3,5,7,9-decatetraen-2-one C16H16O 224.120115 NA MeJP NA NA +MJ010636 6,8-Hexadecadiene-10,12,14-triynal C16H16O 224.120115 NA MeJP NA NA +MJ010637 Tetrahydro-2,4-diphenylfuran C16H16O 224.120115 NA MeJP NA NA +JH246 Oleuropein N/A NA 224.1271 14.15 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH246 Oleuropein N/A NA 224.1271 14.15 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH246 Oleuropein N/A NA 224.1271 14.15 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH246 Oleuropein N/A NA 224.1271 14.15 Inhousejuil11 NA NA +MJ010638 1,2,3,4,6,7-Hexahydroindolo[2,3-a]quinolizine C15H16N2 224.131348 NA MeJP NA NA +MJ010639 Aloperine; 5,6,11,12,13,14,15,16-Octadehydro C15H16N2 224.131348 NA MeJP NA NA +C01760 (6S,9R)-Vomifoliol C13H20O3 224.1412 NA KEGG NA NA +C04166 (+/-)-6-Hydroxy-3-oxo-alpha-ionol C13H20O3 224.1412 NA KEGG NA NA +C11512 Methyl jasmonate C13H20O3 224.1412 NA KEGG NA NA +C16318 (+)-7-Isomethyljasmonate C13H20O3 224.1412 NA KEGG NA NA +MJ010640 1-Butoxy-3-phenoxy-2-propanol C13H20O3 224.141244 NA MeJP NA NA +MJ010641 10-Hydroxy-8-dodecen-11-ynoic acid, Me ester C13H20O3 224.141244 NA MeJP NA NA +MJ010642 11-Hydroxy-4-methyl-2,4,6-dodecatrienoic acid C13H20O3 224.141244 NA MeJP NA NA +MJ010643 13-Oxo-9,11-tridecadienoic acid C13H20O3 224.141244 NA MeJP NA NA +MJ010644 3,11-Dihydroxy-5-megastigmen-9-one, 11-Aldehyde C13H20O3 224.141244 NA MeJP NA NA +MJ010645 3,5-Dihydroxy-6,7-megastigmadien-9-one C13H20O3 224.141244 NA MeJP NA NA +MJ010646 3-Hydroxy-5-megastigmene-7,9-dione C13H20O3 224.141244 NA MeJP NA NA +MJ010647 5,11-Epoxy-9-hydroxy-7-megastigmen-3-one C13H20O3 224.141244 NA MeJP NA NA +MJ010648 5,13-Epoxy-7-megastigmene-3,9-dione; 7,8-Dihydro C13H20O3 224.141244 NA MeJP NA NA +MJ010649 5,6-Epoxy-7-megastigmene-3,9-diol, 9-Ketone C13H20O3 224.141244 NA MeJP NA NA +MJ010650 5,6-Epoxy-7-megastigmene-3,9-diol, 3-Ketone C13H20O3 224.141244 NA MeJP NA NA +MJ010651 5-(2-Hydroxy-2-methylpropylidene)-3-methoxy-2,4,4-trimethyl-2-cyclopenten-1-one C13H20O3 224.141244 NA MeJP NA NA +MJ010652 5-(7-Hydroxy-6-methyloctyl)-2(5H)-furanone; 7'-Ketone C13H20O3 224.141244 NA MeJP NA NA +MJ010653 6,9-Dihydroxy-4,7-megastigmadien-3-one C13H20O3 224.141244 NA MeJP NA NA +MJ010654 6-Hydroxy-7-megastigmene-3,9-dione C13H20O3 224.141244 NA MeJP NA NA +MJ010655 Eremopetasinorol; 6?,7?-Epoxide C13H20O3 224.141244 NA MeJP NA NA +MJ010656 Guaymasol C13H20O3 224.141244 NA MeJP NA NA +MJ010657 Hyalopyrone C13H20O3 224.141244 NA MeJP NA NA +MJ010658 Jasmonic acid; Me ester C13H20O3 224.141244 NA MeJP NA NA +MJ010659 Jhanilactone C13H20O3 224.141244 NA MeJP NA NA +MJ010660 Norannuic acid C13H20O3 224.141244 NA MeJP NA NA +MJ010661 Similin A C13H20O3 224.141244 NA MeJP NA NA +MJ010662 Stegobiol; 2'-Ketone C13H20O3 224.141244 NA MeJP NA NA +MJ010663 p-Mentha-1,3,5-triene-2,3,5-triol; Tri-Me ester C13H20O3 224.141244 NA MeJP NA NA +MetaCyc02092 (+-)-6-hydroxy-3-oxo-α-ionol [] C13H20O3 224.141245 NA metacyc NA NA +MetaCyc02093 5,6-epoxy-3-hydroxy-9-apo-β-caroten-9-one [] C13H20O3 224.141245 NA metacyc NA NA +MetaCyc02094 (3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-9-apo-β-caroten-9-one [] C13H20O3 224.141245 NA metacyc NA NA +MetaCyc02095 (-)-jasmonic acid methyl ester [jasmonic acid methyl ester;methyl jasmonate;] C13H20O3 224.141245 NA metacyc NA NA +MJ010664 1H-Imidazole-1-heptanoic acid; Et ester C12H20N2O2 224.152477 NA MeJP NA NA +MJ010665 3,6-Bis(1-methylpropyl)-2(1H)-pyrazinone; 1''-Hydroxy C12H20N2O2 224.152477 NA MeJP NA NA +MJ010666 3,6-Bis(1-methylpropyl)-2(1H)-pyrazinone; N-Hydroxy C12H20N2O2 224.152477 NA MeJP NA NA +MJ010667 Aspergillic acid C12H20N2O2 224.152477 NA MeJP NA NA +MJ010668 Flavacol; 1-Oxide C12H20N2O2 224.152477 NA MeJP NA NA +MJ010669 Flavacol; 2''-Hydroxy C12H20N2O2 224.152477 NA MeJP NA NA +MJ010670 Hexahydro-3-(3-methylbutyl)pyrrolo[1,2-a]pyrazine-1,4-dione C12H20N2O2 224.152477 NA MeJP NA NA +MJ010671 Isamoxole C12H20N2O2 224.152477 NA MeJP NA NA +MJ010672 Loline; N-De-Me, N-(3-methylbutanoyl) C12H20N2O2 224.152477 NA MeJP NA NA +C10571 Aspergillic acid C12H20N2O2 224.1525 NA KEGG NA NA +MJ010673 1,7,9,15-Heptadecatetraene-11,13-diyne C17H20 224.1565 NA MeJP NA NA +MJ010674 1,8-Heptadecadiene-11,13,15-triyne C17H20 224.1565 NA MeJP NA NA +HMDB00560 5,8-Tetradecadienoic acid C14H24O2 224.177628 NA HMDB2010 NA NA +HMDB00560 5,8-Tetradecadienoic acid C14H24O2 224.17763 http://www.hmdb.ca/metabolites/HMDB00560 HMDB NA NA +MJ010675 1-(2-Hydroxyethyl)-2-isopropenyl-1-methylcyclobutane, 2-Methylpropanoyl C14H24O2 224.17763 NA MeJP NA NA +MJ010676 1-Hydroxy-13-nor-2,6-farnesadien-11-one C14H24O2 224.17763 NA MeJP NA NA +MJ010677 10-Hydroxy-4,10-dimethyl-4,11-dodecadien-2-one; (+)-E-form C14H24O2 224.17763 NA MeJP NA NA +MJ010678 14-Hydroxy-5-tetradecenoic acid; Lactone C14H24O2 224.17763 NA MeJP NA NA +MJ010679 2,6-Dodecadienoic acid, Et ester C14H24O2 224.17763 NA MeJP NA NA +MJ010680 2-Cyclopentene-1-nonanoic acid C14H24O2 224.17763 NA MeJP NA NA +MJ010681 3,5-Dodecadien-1-ol, Ac C14H24O2 224.17763 NA MeJP NA NA +MJ010682 3,5-Tetradecadienoic acid C14H24O2 224.17763 NA MeJP NA NA +MJ010683 4,6-Dimethyl-2,4-dodecadienoic acid C14H24O2 224.17763 NA MeJP NA NA +MJ010684 5,8-Tetradecadienoic acid C14H24O2 224.17763 NA MeJP NA NA +MJ010685 5-(1-Decenyl)dihydro-2(3H)-furanone C14H24O2 224.17763 NA MeJP NA NA +MJ010686 5-Tetradecen-13-olide C14H24O2 224.17763 NA MeJP NA NA +MJ010687 6-Isopropyl-3-methyl-2-(3-oxobutyl)-cyclohexanone C14H24O2 224.17763 NA MeJP NA NA +MJ010688 7,9-Dodecadien-1-ol, Ac C14H24O2 224.17763 NA MeJP NA NA +MJ010689 9,11-Dodecadien-1-ol, Ac C14H24O2 224.17763 NA MeJP NA NA +MJ010690 Bakerol C14H24O2 224.17763 NA MeJP NA NA +MJ010691 Pteroenone C14H24O2 224.17763 NA MeJP NA NA +MJ010692 Tetrahydro-4-hydroxy-6-nonyl-2H-pyran-2-one, 4-Deoxy, 3,4-didehydro C14H24O2 224.17763 NA MeJP NA NA +HMDB00560 5,8-Tetradecadienoic acid C14H24O2 224.17763 HMDB00560 PFEM_hmdb_metabocards_official NA NA +MJ010693 Anaferine C13H24N2O 224.188863 NA MeJP NA NA +MJ010694 Anahygrine C13H24N2O 224.188863 NA MeJP NA NA +MJ010695 Anapheline C13H24N2O 224.188863 NA MeJP NA NA +MJ010696 Cuscohygrine C13H24N2O 224.188863 NA MeJP NA NA +MJ010697 N-Methylpyrrolidinylhygrine C13H24N2O 224.188863 NA MeJP NA NA +C06183 Anapheline C13H24N2O 224.1889 NA KEGG NA NA +C06521 Cuscohygrine C13H24N2O 224.1889 NA KEGG NA NA +C11358 (-)-Anaferine C13H24N2O 224.1889 NA KEGG NA NA +MJ010698 11-Drimanol C15H28O 224.214015 NA MeJP NA NA +MJ010699 12-Cadinanol C15H28O 224.214015 NA MeJP NA NA +MJ010700 2,4,6,8-Tetramethyl-2-undecenal C15H28O 224.214015 NA MeJP NA NA +MJ010701 3-Pentadecenal C15H28O 224.214015 NA MeJP NA NA +MJ010702 5,10-Pentadecadien-1-ol C15H28O 224.214015 NA MeJP NA NA +MJ010703 6,10-Farnesadien-1-ol C15H28O 224.214015 NA MeJP NA NA +MJ010704 8-Drimanol C15H28O 224.214015 NA MeJP NA NA +MJ010705 Cyclopentadecanone C15H28O 224.214015 NA MeJP NA NA +MJ010706 1-Hexadecene C16H32 224.250401 NA MeJP NA NA +MJ010707 2-Cyclohexyldecane C16H32 224.250401 NA MeJP NA NA +HMDB00637 Chenodeoxycholic acid glycine conjugate C26H43NO5 224.6570585 MH2+ Inhouse_peptide NA peptide +HMDB00708 Glycoursodeoxycholic acid C26H43NO5 224.6570585 MH2+ Inhouse_peptide NA peptide +MJ010708 5-Bromo-1H-indole-2,3-dione C8H4BrNO2 224.942541 NA MeJP NA NA +MJ010709 5-Bromo-2-methyl-5-nitro-1,3-dioxane C5H8BrNO4 224.96367 NA MeJP NA NA +MJ010710 2,4-Dinitrophenyl thiocyanate C7H3N3O4S 224.984426 NA MeJP NA NA +C05706 Se-Propenylselenocysteine Se-oxide C6H11NO3Se 224.9904 NA KEGG NA NA +MJ010711 Se-Propylselenocysteine se-oxide C6H11NO3Se 224.990415 NA MeJP NA NA +MJ010712 5-Chloro-6-methoxy-1-methyl-1H-indole-2,3-dione C10H8ClNO3 225.01927 NA MeJP NA NA +MJ010713 Seclazone C10H8ClNO3 225.01927 NA MeJP NA NA +MJ010714 4-Hydroxy-2-piperidinecarboxylic acid, 4-Sulfate C6H11NO6S 225.030707 NA MeJP NA NA +MJ010715 2-Methyl-3,5-dinitrobenzoic acid; Amide C8H7N3O5 225.03857 NA MeJP NA NA +MJ010716 Furazolidone C8H7N3O5 225.03857 NA MeJP NA NA +C07999 Furazolidone C8H7N3O5 225.0386 NA KEGG NA NA +C08000 Transferred to D00831 C8H7N3O5 225.0386 NA KEGG NA NA +MJ010717 3,4-Dihydro-6-(4-hydroxyphenyl)-2H-1,4-thiazine; S,S-Dioxide C10H11NO3S 225.045963 NA MeJP NA NA +C11355 4-Amino-4-deoxychorismate C10H11NO5 225.0637 NA KEGG NA NA +C18054 2-Amino-2-deoxyisochorismate C10H11NO5 225.0637 NA KEGG NA NA +MJ010718 2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one, N-Methoxy, 7-Me ether C10H11NO5 225.063722 NA MeJP NA NA +MJ010719 3-Carboxytyrosine C10H11NO5 225.063722 NA MeJP NA NA +MetaCyc02096 4-amino-4-deoxychorismate [] C10H11N1O5 225.063722 97279-79-3 metacyc NA NA +CJpos0588 N-Acetylcarnosine (and isomer) [(M+H)-(C2H5N)]+ C9H12N3O4 225.074375 C18rt(min)=1.1 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0588 N-Acetylcarnosine (and isomer) [(M+H)-(C2H5N)]+ C9H12N3O4 225.074375 C18rt(min)=1.1 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ010720 Cyclocytidine C9H11N3O4 225.074955 NA MeJP NA NA +MJ010721 Phosphemide C8H12N5OP 225.077946 NA MeJP NA NA +MJ010722 1-Hydroxy-9H-carbazole-3-carboxaldehyde; Me ether C14H11NO2 225.078978 NA MeJP NA NA +MJ010723 1-Hydroxyacridone; N-Me C14H11NO2 225.078978 NA MeJP NA NA +MJ010724 2,3-Dihydroxy-6-methyl-9H-carbazole; Methylene ether C14H11NO2 225.078978 NA MeJP NA NA +MJ010725 2-Hydroxy-9H-carbazole-3-carboxylic acid; 3-Aldehyde, Me ether C14H11NO2 225.078978 NA MeJP NA NA +MJ010726 6-Hydroxy-9H-carbazole-3-carboxaldehyde; Me ether C14H11NO2 225.078978 NA MeJP NA NA +MJ010727 7-Hydroxy-9H-carbazole-3-carboxaldehyde; Me ether C14H11NO2 225.078978 NA MeJP NA NA +MJ010728 8-Hydroxy-9H-carbazole-3-carboxaldehyde; Me ether C14H11NO2 225.078978 NA MeJP NA NA +MJ010729 9H-Carbazole-3-carboxaldehyde; N-Methoxy C14H11NO2 225.078978 NA MeJP NA NA +MJ010730 9H-Carbazole-3-carboxylic acid; Me ester C14H11NO2 225.078978 NA MeJP NA NA +MJ010731 Onychine; 8-Methoxy C14H11NO2 225.078978 NA MeJP NA NA +C09228 Murrayanine C14H11NO2 225.079 NA KEGG NA NA +C14662 (E)-4-Nitrostilbene C14H11NO2 225.079 NA KEGG NA NA +MJ010732 Destomic acid C7H15NO7 225.084851 NA MeJP NA NA +CJneg0417 Azelaic acid [(M+Cl)]- (13C) C813CH16ClO4 225.085425 C18rt(min)=7.01 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0417 Azelaic acid [(M+Cl)]- (13C) C813CH16ClO4 225.085425 C18rt(min)=7.01 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ010733 Aciclovir C8H11N5O3 225.086189 NA MeJP NA NA +C06810 Acyclovir C8H11N5O3 225.0862 NA KEGG NA NA +MJ010734 2-(2-Hydroxy-5-methylphenyl)-2H-benzotriazole C13H11N3O 225.090211 NA MeJP NA NA +MJ010735 Macrorungine C13H11N3O 225.090211 NA MeJP NA NA +MJ010736 3-(3,4-Dihydroxyphenyl)-2-hydroxy-2-methylpropanoic acid, 3'-Me ether, amide C11H15NO4 225.100107 NA MeJP NA NA +MJ010737 3-Hydroxy-4,5-dimethoxyphenethylamineyl C11H15NO4 225.100107 NA MeJP NA NA +MJ010738 Pyridoxine; O1''-Me, O2''-Ac C11H15NO4 225.100107 NA MeJP NA NA +MJ010739 Strychnovoline C11H15NO4 225.100107 NA MeJP NA NA +C11263 6-Benzylaminopurine C12H11N5 225.1014 NA KEGG NA NA +MJ010740 Adenine; 6N-Benzyl C12H11N5 225.101445 NA MeJP NA NA +MetaCyc02097 benzyladenine [] C12H11N5 225.101445 NA metacyc NA NA +MJ010741 Cairomycin B C10H15N3O3 225.111341 NA MeJP NA NA +MJ010742 (3-Aminopropyl)(diethoxymethyl)phosphinic acid C8H20NO4P 225.112994 NA MeJP NA NA +MJ010743 10-(3-Pyridinyl)-3,5,7,9-decatetraen-2-one C15H15NO 225.115364 NA MeJP NA NA +MJ010744 2-Phenylethylamine; N-Benzoyl C15H15NO 225.115364 NA MeJP NA NA +MJ010745 Oletimol C15H15NO 225.115364 NA MeJP NA NA +MJ010746 Ipohardine C15H16NO(+) 225.115364 NA MeJP NA NA +C15043 2-[2-(4-Pyridinyl)-1-butenyl]phenol C15H15NO 225.1154 NA KEGG NA NA +C17019 Navenone A C15H15NO 225.1154 NA KEGG NA NA +MJ010747 Heteromine H; N2-Me C9H15N5O2 225.122574 NA MeJP NA NA +7649 ACE inhibitor from red algae LRY 225.124 MH2+ Inhouse_peptide NA peptide +7821 ACE inhibitor from rapeseed RIY 225.124 MH2+ Inhouse_peptide NA peptide +MJ010748 Stilbenemidine C14H15N3 225.126597 NA MeJP NA NA +MetaCyc02098 4-dimethylaminophenylazobenzene [4-(dimethylamino)azobenzene;] C14H15N3 225.126597 NA metacyc NA NA +C03764 4-(Dimethylamino)azobenzene C14H15N3 225.1266 NA KEGG NA NA +C10914 Cyprodinil C14H15N3 225.1266 NA KEGG NA NA +MJ010749 1-(3,4,5-Trimethoxyphenyl)-2-propylamine C12H19NO3 225.136493 NA MeJP NA NA +MJ010750 3-Hydroxy-4,5-dimethoxyphenethylamine; N-Di-Me C12H19NO3 225.136493 NA MeJP NA NA +MJ010751 8-Azabicyclo[3.2.1]octane-3,6-diol, O3-Tigloyl C12H19NO3 225.136493 NA MeJP NA NA +MJ010752 Colterol C12H19NO3 225.136493 NA MeJP NA NA +MJ010753 Macromerine C12H19NO3 225.136493 NA MeJP NA NA +MJ010754 Mescaline; N-Me C12H19NO3 225.136493 NA MeJP NA NA +MJ010755 Metiprenaline C12H19NO3 225.136493 NA MeJP NA NA +MJ010756 Prenalterol C12H19NO3 225.136493 NA MeJP NA NA +MJ010757 Terbutaline C12H19NO3 225.136493 NA MeJP NA NA +C07129 Terbutaline C12H19NO3 225.1365 NA KEGG NA NA +C07533 Prenalterol C12H19NO3 225.1365 NA KEGG NA NA +C08310 N-Methylmescaline C12H19NO3 225.1365 NA KEGG NA NA +MJ010758 Piperacetam C11H19N3O2 225.147726 NA MeJP NA NA +MJ010759 1,2-Diphenylethylamine, N-Di-Me C16H19N 225.151749 NA MeJP NA NA +C14186 Prometon C10H19N5O 225.159 NA KEGG NA NA +MJ010760 8,10-Diethyllobelidiol; Diketone, N-De-Me C13H23NO2 225.172878 NA MeJP NA NA +MJ010761 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(3-Methylbutanoyl) C13H23NO2 225.172878 NA MeJP NA NA +MJ010762 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(S-2-Methylbutanoyl) C13H23NO2 225.172878 NA MeJP NA NA +MJ010763 Adalinine C13H23NO2 225.172878 NA MeJP NA NA +MJ010764 Pumiliotoxin 209F; 12-Hydroxy C13H23NO2 225.172878 NA MeJP NA NA +MJ010765 Pumiliotoxin 209F; 7?-Hydroxy C13H23NO2 225.172878 NA MeJP NA NA +MJ010766 Decahydro-2,5,8-trimethyl-2H-1-oxa-4,7,9b-triazaphenalene C12H23N3O 225.184112 NA MeJP NA NA +MJ010767 Esaprazole C12H23N3O 225.184112 NA MeJP NA NA +MJ010768 2-Amino-11,13-tetradecadien-3-ol C14H27NO 225.209264 NA MeJP NA NA +MJ010769 2-Amino-4,13-tetradecadien-3-ol C14H27NO 225.209264 NA MeJP NA NA +MJ010770 2-Amino-5,7-tetradecadien-3-ol C14H27NO 225.209264 NA MeJP NA NA +MJ010771 2-Decenoic acid, 2-Methylpropylamide (E-) C14H27NO 225.209264 NA MeJP NA NA +MJ010772 Plumerinine C14H27NO 225.209264 NA MeJP NA NA +MJ010773 2,5-Dialkylpyrrolidines; 2-Butyl-5-heptylpyrrolidine C15H31N 225.245649 NA MeJP NA NA +MJ010774 2,5-Dialkylpyrrolidines; 2-Hexyl-5-pentylpyrrolidine C15H31N 225.245649 NA MeJP NA NA +MJ010775 2-Methyl-6-nonylpiperidine C15H31N 225.245649 NA MeJP NA NA +2834 papain inhibitor GGYR 225.603 MH2+ Inhouse_peptide NA peptide +C15235 Antimony trichloride SbCl3 225.8104 NA KEGG NA NA +MJ010776 3,4-Dibromo-3-buten-2-one C4H4Br2O 225.86289 NA MeJP NA NA +C02084 Tetrathionate H2S4O6 225.8734 NA KEGG NA NA +C02085 Thioglucoside C6H11O5SR 225.8734 NA KEGG NA NA +MetaCyc02099 S4O62- [S4O6-2;tetrathionate;tetrathionic acid;thioperoxydisulfuric acid;] H2O6S4 225.873421 NA metacyc NA NA +C12835 2,5-Dichloro-4-oxohex-2-enedioate C6H4Cl2O5 225.9436 NA KEGG NA NA +MJ010777 2,3-Dichloro-1,4-naphthoquinone C10H4Cl2O2 225.958834 NA MeJP NA NA +MJ010778 Oltipraz C8H6N2S3 225.96931 NA MeJP NA NA +MJ010779 3-Methyl-6-(2-methylpropyl)-1,2,4,5-tetrathiane C7H14S4 225.997833 NA MeJP NA NA +MJ010780 5-Chloro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one C10H7ClO4 226.003286 NA MeJP NA NA +MJ010781 3-(2-Amino-3-chlorophenyl)-4-chloro-1H-pyrrole C10H8Cl2N2 226.006453 NA MeJP NA NA +C15397 6-(2-Chloroallylthio)purine C8H7ClN4S 226.008 NA KEGG NA NA +MJ010782 7-Chloro-3,4-dihydro-3-nitro-2(1H)-quinolinone C9H7ClN2O3 226.014519 NA MeJP NA NA +CJpos0589 Dihydroxyphenylethyleneglycol isomer [(M+K)+(H2O)]+ C8H12KO5 226.023775 C18rt(min)=5.3 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0589 Dihydroxyphenylethyleneglycol isomer [(M+K)+(H2O)]+ C8H12KO5 226.023775 C18rt(min)=5.3 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C16456 Radium-226 Ra 226.0254 NA KEGG NA NA +MJ010783 Nifuraldezone C7H6N4O5 226.033819 NA MeJP NA NA +MJ010784 Alclofenac C11H11ClO3 226.039671 NA MeJP NA NA +MJ010785 8-(Methylsulfinyl)-1,7-tridecadiene-3,5,9,11-tetrayne C14H10OS 226.045235 NA MeJP NA NA +C00251 Chorismate C10H10O6 226.0477 NA KEGG NA NA +C00254 Prephenate C10H10O6 226.0477 NA KEGG NA NA +C00885 Isochorismate C10H10O6 226.0477 NA KEGG NA NA +C00886 L-Alanyl-tRNA C13H22NO11PR2 226.0477 NA KEGG NA NA +MJ010786 2,4-Dihydroxy-6-(1-hydroxy-2-oxopropyl)benzoic acid C10H10O6 226.047738 NA MeJP NA NA +MJ010787 3,4-Dihydro-3,4,6,8-tetrahydroxy-3-methyl-1H-2-benzopyran-1-one C10H10O6 226.047738 NA MeJP NA NA +MJ010788 3,4-Dihydroxy-1,2-benzenedicarboxylic acid; Di-Me ether C10H10O6 226.047738 NA MeJP NA NA +MJ010789 4,5-Dihydroxy-1,2-benzenedicarboxylic acid; Di-Me ether C10H10O6 226.047738 NA MeJP NA NA +MJ010790 4,5-Dihydroxy-1,3-benzenedicarboxylic acid; Di-Me ether C10H10O6 226.047738 NA MeJP NA NA +MJ010791 Carlic acid C10H10O6 226.047738 NA MeJP NA NA +MJ010792 Chorismic acid C10H10O6 226.047738 NA MeJP NA NA +MJ010793 Thevefolic acid B C10H10O6 226.047738 NA MeJP NA NA +MJ010794 Chorismate C10H10O6 226.047738 NA MeJP NA NA +MJ010795 Isochorismate C10H10O6 226.047738 NA MeJP NA NA +MJ010796 Prephenate C10H10O6 226.047738 NA MeJP NA NA +MetaCyc02100 prephenate [] C10H10O6 226.047738 126-49-8 metacyc NA NA +MetaCyc02101 isochorismate [Isochorismic acid;] C10H10O6 226.047738 22642-82-6 metacyc NA NA +MetaCyc02102 chorismate [chorismic acid;] C10H10O6 226.047738 55508-12-8 metacyc NA NA +HMDB12199 Chorismate C10H10O6 226.047745 NA HMDB2010 NA NA +HMDB12283 Prephenate C10H10O6 226.047745 NA HMDB2010 NA NA +MJ010797 Aminochlorthenoxazin C10H11ClN2O2 226.050905 NA MeJP NA NA +MJ010798 2-(4-Aminophenyl)benzothiazole C13H10N2S 226.056469 NA MeJP NA NA +MJ010799 2-Amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid C9H10N2O5 226.058971 NA MeJP NA NA +MJ010800 ?-Amino-2-carboxy-6-oxo-4-pyridinepropanoic acid C9H10N2O5 226.058971 NA MeJP NA NA +MJ010801 ?-Amino-6-carboxy-2-oxo-3-pyridinepropanoic acid C9H10N2O5 226.058971 NA MeJP NA NA +EUR016 3-Nitrotyrosine C9H10N2O5 226.058973 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR016 3-Nitrotyrosine C9H10N2O5 226.058973 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR016 3-Nitrotyrosine C9H10N2O5 226.058973 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR016 3-Nitrotyrosine C9H10N2O5 226.058973 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR016 3-Nitrotyrosine C9H10N2O5 226.058973 Wishlist HMDB NA NA +EUR016 3-Nitrotyrosine C9H10N2O5 226.058973 Wishlist Inhouse_PFEM NA NA +EUR016 3-Nitrotyrosine C9H10N2O5 226.058973 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR016 3-Nitrotyrosine C9H10N2O5 226.058973 Wishlist PFEM_hmdb_metabocards_official NA NA +TEST016 Nitrotyrosine C9H10N2O5 226.058975 http://www.hmdb.ca/metabolites/HMDB01904 PFEM_hmdb_metabocards_urine NA urine +TEST016 Nitrotyrosine C9H10N2O5 226.058975 http://www.hmdb.ca/metabolites/HMDB01904 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +TEST016 Nitrotyrosine C9H10N2O5 226.058975 http://www.hmdb.ca/metabolites/HMDB01904 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +TEST016 Nitrotyrosine C9H10N2O5 226.058975 http://www.hmdb.ca/metabolites/HMDB01904 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +TEST016 Nitrotyrosine C9H10N2O5 226.058975 http://www.hmdb.ca/metabolites/HMDB01904 HMDB NA NA +HMDB01904 3-Nitrotyrosine C9H10N2O5 226.058975 NA HMDB2010 NA NA +TEST016 Nitrotyrosine C9H10N2O5 226.058975 http://www.hmdb.ca/metabolites/HMDB01904 Inhouse_PFEM NA NA +TEST016 Nitrotyrosine C9H10N2O5 226.058975 http://www.hmdb.ca/metabolites/HMDB01904 PFEM_hmdb_metabocards_blood NA blood +TEST016 Nitrotyrosine C9H10N2O5 226.058975 http://www.hmdb.ca/metabolites/HMDB01904 PFEM_hmdb_metabocards_official NA NA +HMDB01904 3-Nitrotyrosine C9H10N2O5 226.05898 http://www.hmdb.ca/metabolites/HMDB01904 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01904 3-Nitrotyrosine C9H10N2O5 226.05898 http://www.hmdb.ca/metabolites/HMDB01904 HMDB NA NA +HMDB01904 3-Nitrotyrosine C9H10N2O5 226.05898 NA ;SYN:(2S)-2-acetamido-5-aminopentanoic acid; AOR; N(2)-acetyl-L-ornithine; N2-Acetyl-L-ornithine; (2S)-2-acetamido-5-aminopentanoate; Acetyl-OrnithineH2Blood; Urine Inhouse_peptide NA peptide +HMDB01904 3-Nitrotyrosine C9H10N2O5 226.05898 http://www.hmdb.ca/metabolites/HMDB01904 PFEM_hmdb_metabocards_blood NA blood +HMDB01904 3-Nitrotyrosine C9H10N2O5 226.05898 HMDB01904 PFEM_hmdb_metabocards_official NA NA +EUR016 3-Nitrotyrosine C9H10N2O5 226.059 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR016 3-Nitrotyrosine C9H10N2O5 226.059 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR016 3-Nitrotyrosine C9H10N2O5 226.059 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR016 3-Nitrotyrosine C9H10N2O5 226.059 Wishlist Inhousejuil11 NA NA +EUR348 3-Nitrotyrosine F1 C9H10N2O6 226.061275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR348 3-Nitrotyrosine F1 NA 226.061275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR348 3-Nitrotyrosine F1 C9H10N2O6 226.061275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR348 3-Nitrotyrosine F1 NA 226.061275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR348 3-Nitrotyrosine F1 C9H10N2O6 226.061275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR348 3-Nitrotyrosine F1 NA 226.061275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR348 3-Nitrotyrosine F1 C9H10N2O6 226.061275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR348 3-Nitrotyrosine F1 C9H10N2O6 226.061275 standards wishlist analysés sur QTOF HMDB NA NA +EUR348 3-Nitrotyrosine F1 C9H10N2O6 226.061275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR348 3-Nitrotyrosine F1 NA 226.061275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR348 3-Nitrotyrosine F1 C9H10N2O6 226.061275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR348 3-Nitrotyrosine F1 C9H10N2O6 226.061275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ010802 1,8,9-Anthracenetriol C14H10O3 226.062994 NA MeJP NA NA +MJ010803 1-Hydroxy-3-methylxanthone C14H10O3 226.062994 NA MeJP NA NA +MJ010804 2,4-Dihydroxy-1H-phenalen-1-one; 2-Me ether C14H10O3 226.062994 NA MeJP NA NA +MJ010805 2-Ethylnaphtho[2,3-b]furan-4,9-dione C14H10O3 226.062994 NA MeJP NA NA +MJ010806 2-Hydroxyxanthone; Me ether C14H10O3 226.062994 NA MeJP NA NA +MJ010807 3-Methyl-2H-naphtho[2,3-b]pyran-5,10-dione C14H10O3 226.062994 NA MeJP NA NA +MJ010808 4-Hydroxyxanthone; Me ether C14H10O3 226.062994 NA MeJP NA NA +MJ010809 Arnocoumarin C14H10O3 226.062994 NA MeJP NA NA +MJ010810 Maturinone C14H10O3 226.062994 NA MeJP NA NA +MJ010811 Oroselone C14H10O3 226.062994 NA MeJP NA NA +C06831 Anthralin C14H10O3 226.063 NA KEGG NA NA +C11446 4-Dihydroxyethyl-8,9-epoxy-enediyne C14H10O3 226.063 NA KEGG NA NA +MJ010812 2,4-Dihydroxy-3,5,6-trimethylbenzenecarbothioic acid; S-Me ester C11H14O3S 226.066365 NA MeJP NA NA +MJ010813 6-Chloro-5-fluoro-?-methyl-1H-indole-1-ethanamine C11H12ClFN2 226.067304 NA MeJP NA NA +CJneg0418 Hexose [(M-H)+(HCOOH)]- C7H13O8 226.069425 C18rt(min)=0.92 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0418 Hexose [(M-H)+(HCOOH)]- C7H13O8 226.069425 C18rt(min)=0.92 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C16365 5-Acetylamino-6-formylamino-3-methyluracil C8H10N4O4 226.0702 NA KEGG NA NA +MJ010814 Nifursemizone C8H10N4O4 226.070204 NA MeJP NA NA +HMDB11105 5-Acetylamino-6-formylamino-3-methyluracil C8H10N4O4 226.070206 NA HMDB2010 NA NA +MJ010815 1,6-Phenazinediol; Mono-Me ether C13H10N2O2 226.074227 NA MeJP NA NA +MJ010816 1-Acetyl-7-hydroxy-?-carboline C13H10N2O2 226.074227 NA MeJP NA NA +MJ010817 1-Acetyl-8-hydroxy-?-carboline C13H10N2O2 226.074227 NA MeJP NA NA +MJ010818 1-Methyl-?-carboline-3-carboxylic acid C13H10N2O2 226.074227 NA MeJP NA NA +MJ010819 ?-Carboline-1-carboxylic acid; Me ester C13H10N2O2 226.074227 NA MeJP NA NA +MJ010820 ?-Carboline-3-carboxylic acid; 2-Me C13H10N2O2 226.074227 NA MeJP NA NA +MJ010821 ?-Carboline-7-carboxylic acid; Me ester C13H10N2O2 226.074227 NA MeJP NA NA +MJ010822 Kumujancine C13H10N2O2 226.074227 NA MeJP NA NA +MJ010823 Methallatal C10H14N2O2S 226.077598 NA MeJP NA NA +CJneg0419 Azelaic acid [(M+Cl)]- (37Cl) C9H16Cl037ClO4 226.079125 C18rt(min)=7.01 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0419 Azelaic acid [(M+Cl)]- (37Cl) C9H16Cl037ClO4 226.079125 C18rt(min)=7.01 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C09780 Genipin C11H14O5 226.0841 NA KEGG NA NA +MJ010824 1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-Ac C11H14O5 226.084123 NA MeJP NA NA +MJ010825 1,2,3,5-Benzenetetrol; 1,3,5-Tri-Me ether, Ac C11H14O5 226.084123 NA MeJP NA NA +MJ010826 1-(2,3,4,5-Tetrahydroxyphenyl)-1-propanone; 3,5-Di-Me ether C11H14O5 226.084123 NA MeJP NA NA +MJ010827 1-(3-Methoxy-4,5-methylenedioxyphenyl)-1,2-propanediol C11H14O5 226.084123 NA MeJP NA NA +MJ010828 2',3',4',6'-Tetrahydroxyacetophenone; 3',4',6'-Tri-Me ether C11H14O5 226.084123 NA MeJP NA NA +MJ010829 2,2',4',6'-Tetrahydroxy-3'-methylacetophenone; 4',6'-Di-Me ether C11H14O5 226.084123 NA MeJP NA NA +MJ010830 2,3,4,5-Tetrahydroxybenzaldehyde; Tetra-Me ether C11H14O5 226.084123 NA MeJP NA NA +MJ010831 3,4,5-Trihydroxybenzoic acid; Tri-Me ether, Me ester C11H14O5 226.084123 NA MeJP NA NA +MJ010832 3-(2,3,4-Trihydroxyphenyl)propanoic acid; 3,4-Di-Me ether C11H14O5 226.084123 NA MeJP NA NA +MJ010833 3-(3,4,5-Trihydroxyphenyl)-1,2-propanediol; 4',5'-Methylene, 3'-Me ether C11H14O5 226.084123 NA MeJP NA NA +MJ010834 3-Carboxy-5-propyl-2-furanpropanoic acid C11H14O5 226.084123 NA MeJP NA NA +MJ010835 3-Hydroxy-1-(3,4,5-trihydroxyphenyl)-1-propanone; 3',5'-Di-Me ether C11H14O5 226.084123 NA MeJP NA NA +MJ010836 3-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)propanoic acid, Me ester C11H14O5 226.084123 NA MeJP NA NA +MJ010837 3-Methyl-2,5-furandipropanoic acid C11H14O5 226.084123 NA MeJP NA NA +MJ010838 4-Hydroxy-3,5-dimethoxy-4-(2-oxopropyl)-2,5-cyclohexadien-1-one C11H14O5 226.084123 NA MeJP NA NA +MJ010839 Chlamydosporol C11H14O5 226.084123 NA MeJP NA NA +MJ010840 Cladobotrin II; 3''-Hydroxy, 1'-alcohol C11H14O5 226.084123 NA MeJP NA NA +MJ010841 Dunnisinin C11H14O5 226.084123 NA MeJP NA NA +MJ010842 Geniposidic acid; Aglycone, Me ester C11H14O5 226.084123 NA MeJP NA NA +MJ010843 Isochlamydosporol C11H14O5 226.084123 NA MeJP NA NA +MJ010844 Loganic acid; Aglycone, 7-ketone, Me ester C11H14O5 226.084123 NA MeJP NA NA +MJ010845 Massarilactone A C11H14O5 226.084123 NA MeJP NA NA +MJ010846 Massarilactone B C11H14O5 226.084123 NA MeJP NA NA +MJ010847 Multicolic acid; 5'-Deoxy C11H14O5 226.084123 NA MeJP NA NA +MJ010848 Multiforisin A; 1''-Alcohol C11H14O5 226.084123 NA MeJP NA NA +MJ010849 Papyracillic acid C11H14O5 226.084123 NA MeJP NA NA +MJ010850 Pyrenocine A; 2',3'-Dihydro, 3'-hydroxy C11H14O5 226.084123 NA MeJP NA NA +MJ010851 Rosigenin C11H14O5 226.084123 NA MeJP NA NA +MJ010852 Sarracenin C11H14O5 226.084123 NA MeJP NA NA +MJ010853 Verbenalol C11H14O5 226.084123 NA MeJP NA NA +MJ010854 Xialenone C C11H14O5 226.084123 NA MeJP NA NA +MJ010855 Meridianin A C12H10N4O 226.08546 NA MeJP NA NA +MJ010856 6-Methyl-1,4-heptanediol, 4-O-Sulfate C8H18O5S 226.087494 NA MeJP NA NA +MJ010857 6-Methyl-2,5-heptanediol, 5-Sulfate C8H18O5S 226.087494 NA MeJP NA NA +CJpos0590 Porphobilinogen [(M+H)]+ C10H15N2O4 226.094775 C18rt(min)=4.85 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0590 Porphobilinogen [(M+H)]+ C10H15N2O4 226.094775 C18rt(min)=4.85 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +3184 dipeptidyl-aminopeptidase IV inhibitor HA 226.095 celiac toxic Inhouse_peptide NA peptide +7835 ACE inhibitor AH 226.095 immunomodulating Inhouse_peptide NA peptide +7886 peptide derived from egg white albumin AH 226.095 antibacterial Inhouse_peptide NA peptide +HMDB00245 Porphobilinogen C10H14N2O4 226.09535 Short chain acyl carnitines ;SYN:4-(N-Trimethylamino)butyrate; 4-Butyrobetaine; 4-Trimethylammoniobutanoate; Actinine; Butyrobetaine; Deoxycarnitine; gamma-Butyrobetaine; 4-Trimethylammoniobutanoic acidH2Blood Inhouse_peptide NA peptide +HMDB00245 Porphobilinogen C10H14N2O4 226.095352 NA HMDB2010 NA NA +MJ010858 Porphobilinogen C10H14N2O4 226.095356 NA MeJP NA NA +MJ010859 2-Amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoic acid C10H14N2O4 226.095356 NA MeJP NA NA +MJ010860 Carbidopa C10H14N2O4 226.095356 NA MeJP NA NA +MJ010861 Proxibarbal C10H14N2O4 226.095356 NA MeJP NA NA +MJ010862 Valofane C10H14N2O4 226.095356 NA MeJP NA NA +MetaCyc02103 porphobilinogen [] C10H14N2O4 226.095357 487-90-1 metacyc NA NA +HMDB00245 Porphobilinogen C10H14N2O4 226.09537 http://www.hmdb.ca/metabolites/HMDB00245 PFEM_hmdb_metabocards_urine NA urine +HMDB00245 Porphobilinogen C10H14N2O4 226.09537 http://www.hmdb.ca/metabolites/HMDB00245 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00245 Porphobilinogen C10H14N2O4 226.09537 http://www.hmdb.ca/metabolites/HMDB00245 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00245 Porphobilinogen C10H14N2O4 226.09537 http://www.hmdb.ca/metabolites/HMDB00245 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00245 Porphobilinogen C10H14N2O4 226.09537 http://www.hmdb.ca/metabolites/HMDB00245 HMDB NA NA +HMDB00245 Porphobilinogen C10H14N2O4 226.09537 http://www.hmdb.ca/metabolites/HMDB00245 PFEM_hmdb_metabocards_blood NA blood +HMDB00245 Porphobilinogen C10H14N2O4 226.09537 HMDB00245 PFEM_hmdb_metabocards_official NA NA +C00931 Porphobilinogen C10H14N2O4 226.0954 NA KEGG NA NA +CJneg0420 Porphobilinogen [(M-H)]- C10H13N2O4 226.095925 C18rt(min)=4.51 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0420 Porphobilinogen [(M-H)]- C10H13N2O4 226.095925 C18rt(min)=4.51 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ010863 5-(1H-Imidazol-2-yl)-1H-tetrazole; N1-Benzyl C11H10N6 226.096694 NA MeJP NA NA +FL6F19NS0001 7-Hydroxyflavan C15H14O2 226.09937 38481-95-7 knapsack NA NA +MJ010864 1-(2-Hydroxyphenyl)-3-phenyl-1-propanone C15H14O2 226.099379 NA MeJP NA NA +MJ010865 1-(3,5-Dihydroxy-4-methylphenyl)-2-phenylethylene C15H14O2 226.099379 NA MeJP NA NA +MJ010866 1-Phenylethanol, Benzoyl C15H14O2 226.099379 NA MeJP NA NA +MJ010867 14-Nordehydrocalohastine C15H14O2 226.099379 NA MeJP NA NA +MJ010868 2,4,6,12-Tetradecatetraene-8,10-diynoic acid, Me ester C15H14O2 226.099379 NA MeJP NA NA +MJ010869 2,8,10,12-Tridecatetraene-4,6-diyn-1-ol, Ac C15H14O2 226.099379 NA MeJP NA NA +MJ010870 2-Prenyl-1,4-naphthoquinone C15H14O2 226.099379 NA MeJP NA NA +MJ010871 3,5-Dihydroxystilbene, Mono-Me ether C15H14O2 226.099379 NA MeJP NA NA +MJ010872 3,5-Tridecadiene-7,9,11-triyn-1-ol, Ac C15H14O2 226.099379 NA MeJP NA NA +MJ010873 7-Hydroxyflavan C15H14O2 226.099379 NA MeJP NA NA +MetaCyc02104 pinosylvin monomethylether [] C15H14O2 226.09938 NA metacyc NA NA +MetaCyc02105 (2S)-flavan-4-ol [] C15H14O2 226.09938 NA metacyc NA NA +C02345 (2S)-Flavan-4-ol C15H14O2 226.0994 NA KEGG NA NA +C02347 Phosphomannan C6H12O6 226.0994 NA KEGG NA NA +C09757 7-Hydroxyflavan C15H14O2 226.0994 NA KEGG NA NA +C10276 Pinosylvin methyl ether C15H14O2 226.0994 NA KEGG NA NA +C10325 Deoxylapachol C15H14O2 226.0994 NA KEGG NA NA +C13632 4,4'-Dihydroxy-alpha-methylstilbene C15H14O2 226.0994 NA KEGG NA NA +C15598 Favan-3-ol C15H14O2 226.0994 NA KEGG NA NA +HMDB00033 Carnosine C9H14N4O3 226.10658 http://www.hmdb.ca/metabolites/HMDB00033 PFEM_hmdb_metabocards_urine NA urine +HMDB00033 Carnosine C9H14N4O3 226.10658 http://www.hmdb.ca/metabolites/HMDB00033 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00033 Carnosine C9H14N4O3 226.10658 http://www.hmdb.ca/metabolites/HMDB00033 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00033 Carnosine C9H14N4O3 226.10658 http://www.hmdb.ca/metabolites/HMDB00033 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00033 Carnosine C9H14N4O3 226.10658 http://www.hmdb.ca/metabolites/HMDB00033 HMDB NA NA +HMDB00033 Carnosine C9H14N4O3 226.10658 Short chain acyl carnitines ;SYN:(+/-)-Propionylcarnitine chloride; (3-carboxy-2-hydroxypropyl)trimethyl-hydroxide Ammonium inner salt; 3-Carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-1-propanaminium inner salt; L-Propionylcarnitine; O-Propanoylcarnitine; O-Propionylcarnitine; Propionyl carnitine; propionyl-carnitine;Propionyl-l-carnitineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00033 Carnosine C9H14N4O3 226.10658 http://www.hmdb.ca/metabolites/HMDB00033 PFEM_hmdb_metabocards_blood NA blood +HMDB00033 Carnosine C9H14N4O3 226.10658 HMDB00033 PFEM_hmdb_metabocards_official NA NA +LABER022 carnosine NA 226.106583 RT 1.72 PFEM_hmdb_metabocards_urine NA urine +LABER022 carnosine NA 226.106583 RT 1.72 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER022 carnosine NA 226.106583 RT 1.72 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER022 carnosine NA 226.106583 RT 1.72 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER022 carnosine NA 226.106583 RT 1.72 HMDB NA NA +HMDB00033 Carnosine C9H14N4O3 226.106583 NA HMDB2010 NA NA +LABER022 carnosine NA 226.106583 RT 1.72 Inhouse_PFEM NA NA +LABER022 carnosine NA 226.106583 RT 1.72 Inhousejuil11 NA NA +LABER022 carnosine NA 226.106583 RT 1.72 PFEM_hmdb_metabocards_blood NA blood +LABER022 carnosine NA 226.106583 RT 1.72 PFEM_hmdb_metabocards_official NA NA +MJ010874 Carnosine C9H14N4O3 226.10659 NA MeJP NA NA +MJ010875 Nimorazole C9H14N4O3 226.10659 NA MeJP NA NA +MetaCyc02106 carnosine [ignotine;N-β-alanyl-L-histidine;] C9H14N4O3 226.10659 NA metacyc NA NA +C00386 Carnosine C9H14N4O3 226.1066 NA KEGG NA NA +PJ000060 AH C9H14N4O3 226.1066 NA PeJP NA NA +16 Actomyosin SLYA 226.108 MH2+ Inhouse_peptide NA peptide +C07205 Metyrapone C14H14N2O 226.1106 NA KEGG NA NA +MJ010876 2-Methyl-1,2-di-3-pyridinyl-1-propanone C14H14N2O 226.110613 NA MeJP NA NA +MJ010877 3-(2-Propyl-5-oxazolyl)-1H-indole C14H14N2O 226.110613 NA MeJP NA NA +MJ010878 4-Methoxy-1-vinyl-?-carboline; Dihydro C14H14N2O 226.110613 NA MeJP NA NA +MJ010879 Prothracarcin C14H14N2O 226.110613 NA MeJP NA NA +MetaCyc02107 metyrapone [2-methyl-1,2-dipyridin-3-yl-propan-1-one;metopirone;] C14H14N2O1 226.110613 NA metacyc NA NA +MJ010880 Tamitinol C11H18N2OS 226.113983 NA MeJP NA NA +CJpos0591 Creatinine (and isomer) [(2M+H)]+ C8H15N6O2 226.117275 C18rt(min)=0.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0591 Creatinine (and isomer) [(2M+H)]+ C8H15N6O2 226.117275 C18rt(min)=0.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ010881 1,7-Dihydroxy-3,7-dimethyl-2,5-octadien-4-one, 1-Ac C12H18O4 226.120509 NA MeJP NA NA +MJ010882 1-(2,5-Dihydroxyphenyl)-1,2-propanediol, 1-Et, 5'-Me ether C12H18O4 226.120509 NA MeJP NA NA +MJ010883 11,12,13-Trinor-2,6-farnesadiene-1,10-dioic acid C12H18O4 226.120509 NA MeJP NA NA +MJ010884 2,6-Octadiene-1,8-diol, Di-Ac C12H18O4 226.120509 NA MeJP NA NA +MJ010885 2-(5-Hydroxy-2-pentenyl)-3-oxocyclopentaneacetic acid C12H18O4 226.120509 NA MeJP NA NA +MJ010886 3-(1-Hydroxy-2,4-dimethylpentyl)-4-methyl-2,5-furandione C12H18O4 226.120509 NA MeJP NA NA +MJ010887 Allixin C12H18O4 226.120509 NA MeJP NA NA +MJ010888 Arthropsatriol A C12H18O4 226.120509 NA MeJP NA NA +MJ010889 Butopyronoxyl C12H18O4 226.120509 NA MeJP NA NA +MJ010890 Jasmonic acid; 11R-Hydroxy C12H18O4 226.120509 NA MeJP NA NA +MJ010891 Jasmonic acid; 11S-Hydroxy C12H18O4 226.120509 NA MeJP NA NA +MJ010892 Jasmonic acid; 8?-Hydroxy C12H18O4 226.120509 NA MeJP NA NA +MJ010893 Pesthetoxin C12H18O4 226.120509 NA MeJP NA NA +MJ010894 Senkyunolide A; 6,7-Dihydro, 6?,7?-dihydroxy C12H18O4 226.120509 NA MeJP NA NA +MJ010895 Senkyunolide A; 6,7-Dihydro, 6?,7?-dihydroxy C12H18O4 226.120509 NA MeJP NA NA +MJ010896 p-Mentha-1,3,5-triene-2,3,5,7-tetrol; 2,3-Di-Me-ether C12H18O4 226.120509 NA MeJP NA NA +C11801 4-Methylburimamide C10H18N4S 226.1252 NA KEGG NA NA +C07422 Pentobarbital C11H18N2O3 226.1317 NA KEGG NA NA +C07536 Amobarbital C11H18N2O3 226.1317 NA KEGG NA NA +MJ010897 Amobarbital C11H18N2O3 226.131742 NA MeJP NA NA +MJ010898 Cyclo(4-hydroxyprolylleucyl) C11H18N2O3 226.131742 NA MeJP NA NA +MJ010899 Mutaaspergillic acid C11H18N2O3 226.131742 NA MeJP NA NA +MJ010900 Pentobarbital C11H18N2O3 226.131742 NA MeJP NA NA +MetaCyc02108 amobarbital [amytal;] C11H18N2O3 226.131742 NA metacyc NA NA +MJ010901 1,8-Hexadecadiene-10,12,14-triyn-7-ol C16H18O 226.135765 NA MeJP NA NA +MJ010902 2,9,15-Hexadecatriene-4,6-diynal C16H18O 226.135765 NA MeJP NA NA +MJ010903 6,8,14-Hexadecatriene-10,12-diyn-1-al C16H18O 226.135765 NA MeJP NA NA +MJ010904 6,8-Hexadecadiene-10,12,14-triyn-1-ol C16H18O 226.135765 NA MeJP NA NA +MJ010905 1,2,3,4,6,7,12,12b-Octahydroindolo[2,3-a]quinolizine C15H18N2 226.146998 NA MeJP NA NA +MJ010906 Aurantioclavine C15H18N2 226.146998 NA MeJP NA NA +MJ010907 Pirlindole C15H18N2 226.146998 NA MeJP NA NA +C07540 6-Methylergoline C15H18N2 226.147 NA KEGG NA NA +MJ010908 3,11-Dihydroxy-5-megastigmen-9-one C13H22O3 226.156894 NA MeJP NA NA +MJ010909 3,6-Dihydroxy-7-megastigmen-9-one C13H22O3 226.156894 NA MeJP NA NA +MJ010910 3,6-Epoxy-7-megastigmene-5,9-diol C13H22O3 226.156894 NA MeJP NA NA +MJ010911 3-(1-Hydroxyoctyl)-5-methyl-2(5H)-furanone C13H22O3 226.156894 NA MeJP NA NA +MJ010912 3-Oxo-2-pentylcyclopentaneacetic acid, Me ester C13H22O3 226.156894 NA MeJP NA NA +MJ010913 5,6-Epoxy-7-megastigmene-3,9-diol C13H22O3 226.156894 NA MeJP NA NA +MJ010914 5,8-Epoxy-6-megastigmene-3,9-diol C13H22O3 226.156894 NA MeJP NA NA +MJ010915 5-(3-Ethyl-4-methyl-1-pentenyl)-4,5-dihydro-3-hydroxy-5-methyl-2(3H)furanone C13H22O3 226.156894 NA MeJP NA NA +MJ010916 5-(7-Hydroxy-6-methyloctyl)-2(5H)-furanone C13H22O3 226.156894 NA MeJP NA NA +MJ010917 6,9-Dihydroxy-4,7-megastigmadien-3-one, 7,8-Dihydro C13H22O3 226.156894 NA MeJP NA NA +MJ010918 6,9-Dihydroxy-7-megastigmen-3-one C13H22O3 226.156894 NA MeJP NA NA +MJ010919 6,9-Epoxy-4-megastigmene-3,9-diol C13H22O3 226.156894 NA MeJP NA NA +MJ010920 Durgamone C13H22O3 226.156894 NA MeJP NA NA +MJ010921 Stegobiol C13H22O3 226.156894 NA MeJP NA NA +C04277 1,8-Diazacyclotetradecane-2,9-dione C12H22N2O2 226.1681 NA KEGG NA NA +MJ010922 3,6-Bis(1-methylpropyl)-2,5-piperazinedione C12H22N2O2 226.168127 NA MeJP NA NA +MJ010923 Crotetamide C12H22N2O2 226.168127 NA MeJP NA NA +MJ010924 Cyclo(isoleucylleucyl) C12H22N2O2 226.168127 NA MeJP NA NA +MetaCyc02109 6-aminohexanoate cyclic dimer [Acd;] C12H22N2O2 226.168128 NA metacyc NA NA +MetaCyc02110 1,8-diazacyclotetradecane-2,9-dione [] C12H22N2O2 226.168128 NA metacyc NA NA +MJ010925 1,3,7,9,13-Heptadecapentaen-11-yne C17H22 226.17215 NA MeJP NA NA +MJ010926 1,7,9,13,15-Heptadecapentaen-11-yne C17H22 226.17215 NA MeJP NA NA +MJ010927 1,7,9-Heptadecatriene-11,13-diyne C17H22 226.17215 NA MeJP NA NA +MJ010928 1,8,15-Heptadecatriene-11,13-diyne C17H22 226.17215 NA MeJP NA NA +MJ010929 2,8,10-Heptadecatriene-4,6-diyne C17H22 226.17215 NA MeJP NA NA +HMDB00499 5-Tetradecenoic acid C14H26O2 226.19328 http://www.hmdb.ca/metabolites/HMDB00499 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00499 5-Tetradecenoic acid C14H26O2 226.19328 http://www.hmdb.ca/metabolites/HMDB00499 HMDB NA NA +HMDB00521 5Z-Tetradecenoic acid C14H26O2 226.19328 http://www.hmdb.ca/metabolites/HMDB00521 HMDB NA NA +HMDB02000 Myristoleic acid C14H26O2 226.19328 http://www.hmdb.ca/metabolites/HMDB02000 HMDB NA NA +HMDB05051 Tsuzuic acid C14H26O2 226.19328 http://www.hmdb.ca/metabolites/HMDB05051 HMDB NA NA +MJ010930 1-Methyl-4-(4-methylpentyl)cyclohexanecarboxylic acid C14H26O2 226.19328 NA MeJP NA NA +MJ010931 11-Dodecen-1-ol; Ac C14H26O2 226.19328 NA MeJP NA NA +MJ010932 11-Nor-8,9-drimanediol C14H26O2 226.19328 NA MeJP NA NA +MJ010933 12-Methyl-13-tridecanolide C14H26O2 226.19328 NA MeJP NA NA +MJ010934 14-Methyloxacyclotetradecan-2-one C14H26O2 226.19328 NA MeJP NA NA +MJ010935 2-Butyl-8-methyl-1,7-dioxaspiro[5.5]undecane C14H26O2 226.19328 NA MeJP NA NA +MJ010936 2-Dodecenoic acid, Et ester C14H26O2 226.19328 NA MeJP NA NA +MJ010937 3,7-Dimethyl-6-octen-1-ol, Butanoyl C14H26O2 226.19328 NA MeJP NA NA +MJ010938 3-Tetradecenoic acid C14H26O2 226.19328 NA MeJP NA NA +MJ010939 4-Tetradecenoic acid C14H26O2 226.19328 NA MeJP NA NA +MJ010940 5-Dodecen-1-ol, Ac C14H26O2 226.19328 NA MeJP NA NA +MJ010941 5-Hydroxytetradecanoic acid, Lactone C14H26O2 226.19328 NA MeJP NA NA +MJ010942 5-Tetradecenoic acid C14H26O2 226.19328 NA MeJP NA NA +MJ010943 7-Dodecen-1-ol, Ac C14H26O2 226.19328 NA MeJP NA NA +MJ010944 7-Tetradecenoic acid C14H26O2 226.19328 NA MeJP NA NA +MJ010945 8-Dodecen-1-ol, Ac C14H26O2 226.19328 NA MeJP NA NA +MJ010946 9-Dodecen-1-ol, Ac C14H26O2 226.19328 NA MeJP NA NA +MJ010947 9-Tetradecenoic acid C14H26O2 226.19328 NA MeJP NA NA +HMDB00499 5-Tetradecenoic acid C14H26O2 226.19328 http://www.hmdb.ca/metabolites/HMDB00499 PFEM_hmdb_metabocards_blood NA blood +HMDB00499 5-Tetradecenoic acid C14H26O2 226.19328 HMDB00499 PFEM_hmdb_metabocards_official NA NA +HMDB00521 5Z-Tetradecenoic acid C14H26O2 226.19328 HMDB00521 PFEM_hmdb_metabocards_official NA NA +HMDB02000 Myristoleic acid C14H26O2 226.19328 HMDB02000 PFEM_hmdb_metabocards_official NA NA +HMDB05051 Tsuzuic acid C14H26O2 226.19328 HMDB05051 PFEM_hmdb_metabocards_official NA NA +HMDB00499 5-Tetradecenoic acid C14H26O2 226.193283 NA HMDB2010 NA NA +HMDB00521 5Z-Tetradecenoic acid C14H26O2 226.193283 NA HMDB2010 NA NA +HMDB02000 Myristoleic acid C14H26O2 226.193283 NA HMDB2010 NA NA +HMDB05051 Tsuzuic acid C14H26O2 226.193283 NA HMDB2010 NA NA +HMDB10732 trans-Tetra-dec-2-enoic acid C14H26O2 226.193283 NA HMDB2010 NA NA +C08322 (9Z)-Tetradecenoic acid C14H26O2 226.1933 NA KEGG NA NA +MJ010948 Dihydrocuscohygrine C13H26N2O 226.204513 NA MeJP NA NA +MJ010949 10-Pentadecen-1-ol C15H30O 226.229665 NA MeJP NA NA +MJ010950 2-Pentadecanone C15H30O 226.229665 NA MeJP NA NA +MJ010951 3-Methyl-2-tetradecen-7-ol C15H30O 226.229665 NA MeJP NA NA +MJ010952 9-Pentadecen-1-ol C15H30O 226.229665 NA MeJP NA NA +MJ010953 Cyclopentadecanol C15H30O 226.229665 NA MeJP NA NA +MJ010954 Pentadecanal C15H30O 226.229665 NA MeJP NA NA +MetaCyc02111 pentadecanal [] C15H30O1 226.229666 11/09/2765 metacyc NA NA +C01948 Pentadecanal C15H30O 226.2297 NA KEGG NA NA +MJ010955 2,2-Dimethyltetradecane C16H34 226.266051 NA MeJP NA NA +MJ010956 3,5-Dimethyltetradecane C16H34 226.266051 NA MeJP NA NA +MJ010957 4,6-Dimethyltetradecane C16H34 226.266051 NA MeJP NA NA +MJ010958 5,8-Dimethyltetradecane C16H34 226.266051 NA MeJP NA NA +MJ010959 5-Propyltridecane C16H34 226.266051 NA MeJP NA NA +MJ010960 6-Propyltridecane C16H34 226.266051 NA MeJP NA NA +MJ010961 Hexadecane C16H34 226.266051 NA MeJP NA NA +2660 synthetic fr,of human beta-CN (140-143) ACE inhibitor QPIP 226.623 MH2+ Inhouse_peptide NA peptide +2814 PEP inhibitor KPPI 226.641 MH2+ Inhouse_peptide NA peptide +MJ010962 6-Bromo-4,5-dihydroxyindole C8H6BrNO2 226.958191 NA MeJP NA NA +MJ010963 6-Bromo-4,7-dihydroxyindole C8H6BrNO2 226.958191 NA MeJP NA NA +MJ010964 5,7-Dichloro-8-hydroxy-2-methylquinoline C10H7Cl2NO 226.990469 NA MeJP NA NA +MetaCyc02112 2-(sulfomethyl)thiazolidine-4-carboxylate [2-(sulfomethyl)thiazolidine-4-carboxylic acid;] C5H9N1O5S2 226.992214 NA metacyc NA NA +C12469 3-Amino-4,7-dihydroxy-8-chlorocoumarin C9H6ClNO4 226.9985 NA KEGG NA NA +C12470 L-Prolyl-[pcp] C5H8NOSR 226.9985 NA KEGG NA NA +MJ010965 Glycerol trinitrate C3H5N3O9 227.002578 NA MeJP NA NA +MetaCyc02113 nitroglycerin [NG;glycerol trinitrate;] C3H5N3O9 227.002579 55-63-0 metacyc NA NA +C07455 Nitroglycerin C3H5N3O9 227.0026 NA KEGG NA NA +JH143 Xanthurenic acid [M+Na]+ NA 227.017 12.46 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH143 Xanthurenic acid [M+Na]+ NA 227.017 12.46 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH143 Xanthurenic acid [M+Na]+ NA 227.017 12.46 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH143 Xanthurenic acid [M+Na]+ NA 227.017 12.46 Inhousejuil11 NA NA +C16391 Trinitrotoluene C7H5N3O6 227.0178 NA KEGG NA NA +HMDB01228 L-Glutamic acid 5-phosphate C5H10NO7P 227.019485 NA HMDB2010 NA NA +MJ010966 L-Glutamyl 1-phosphate C5H10NO7P 227.019488 NA MeJP NA NA +MJ010967 L-Glutamyl 5-phosphate C5H10NO7P 227.019488 NA MeJP NA NA +MetaCyc02114 L-glutamate-5-phosphate [L-γ-glutamyl-5-phosphate;L-γ-glutamyl-5-P;L-glutamyl-5-phosphate;] C5H10N1O7P1 227.019488 NA metacyc NA NA +MetaCyc02115 α-L-glutamyl phosphate [] C5H10N1O7P1 227.019488 NA metacyc NA NA +C03287 L-Glutamyl 5-phosphate C5H10NO7P 227.0195 NA KEGG NA NA +C03734 alpha-D-Glutamyl phosphate C5H10NO7P 227.0195 NA KEGG NA NA +C05765 L-Glutamyl 1-phosphate C5H10NO7P 227.0195 NA KEGG NA NA +MJ010968 3,4-Dihydro-4,4-dimethyl-2H-1,2-benzoselenazine C10H13NSe 227.021321 NA MeJP NA NA +MJ010969 Timirdine C9H10ClN3S 227.028395 NA MeJP NA NA +HMDB06794 5-(2'-Carboxyethyl)-4,6-Dihydroxypicolinate C9H9NO6 227.04298 http://www.hmdb.ca/metabolites/HMDB06794 HMDB NA NA +HMDB06794 5-(2'-Carboxyethyl)-4,6-Dihydroxypicolinate C9H9NO6 227.04298 HMDB06794 PFEM_hmdb_metabocards_official NA NA +HMDB06794 5-(2'-Carboxyethyl)-4,6-Dihydroxypicolinate C9H9NO6 227.042984 NA HMDB2010 NA NA +MJ010970 5-(2'-Carboxyethyl)-4,6-dihydroxypicolinate C9H9NO6 227.042987 NA MeJP NA NA +MJ010971 Stizolobate C9H9NO6 227.042987 NA MeJP NA NA +MJ010972 Stizolobinate C9H9NO6 227.042987 NA MeJP NA NA +MJ010973 3-Pyridinol; Tartaric ester C9H9NO6 227.042987 NA MeJP NA NA +MJ010974 Stizolobic acid C9H9NO6 227.042987 NA MeJP NA NA +MJ010975 Stizolobinic acid C9H9NO6 227.042987 NA MeJP NA NA +C05655 5-(2'-Carboxyethyl)-4,6-dihydroxypicolinate C9H9NO6 227.043 NA KEGG NA NA +C06047 Stizolobate C9H9NO6 227.043 NA KEGG NA NA +C06048 Stizolobinate C9H9NO6 227.043 NA KEGG NA NA +C06049 N-Formylderivatives CH2NOR 227.043 NA KEGG NA NA +MJ010976 1-Methyl-6-(trifluoromethyl)-2(1H)-quinolinone C11H8F3NO 227.055798 NA MeJP NA NA +C10924 9-Hydroxy-2-nitrofluorene C13H9NO3 227.0582 NA KEGG NA NA +MJ010977 1,8-Dihydroxyacridone C13H9NO3 227.058243 NA MeJP NA NA +MJ010978 2,7-Dihydroxy-9H-carbazole-3-carboxaldehyde C13H9NO3 227.058243 NA MeJP NA NA +MJ010979 2,8-Dihydroxy-9H-carbazole-3-carboxaldehyde C13H9NO3 227.058243 NA MeJP NA NA +MJ010980 3,7-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one C13H9NO3 227.058243 NA MeJP NA NA +MJ010981 Dielsinol C13H9NO3 227.058243 NA MeJP NA NA +MJ010982 Aplysinopsin; 3'-Deimino, 3'-oxo, N4'-di-de-Me C12H9N3O2 227.069476 NA MeJP NA NA +MJ010983 Buclosamide C11H14ClNO2 227.071306 NA MeJP NA NA +MJ010984 L-Arogenate C10H13NO5 227.079372 NA MeJP NA NA +MJ010985 Arogenic acid C10H13NO5 227.079372 NA MeJP NA NA +MJ010986 Speranskatine A C10H13NO5 227.079372 NA MeJP NA NA +MetaCyc02116 L-arogenate [L-arogenic acid;pretyrosine;] C10H13N1O5 227.079373 53078-86-7 metacyc NA NA +C00826 L-Arogenate C10H13NO5 227.0794 NA KEGG NA NA +7900 peptide from bovine b-lactoglobulin WYS 227.087 MH2+ Inhouse_peptide NA peptide +C00881 Deoxycytidine C9H13N3O4 227.0906 NA KEGG NA NA +MJ010987 Deoxycytidine C9H13N3O4 227.090605 NA MeJP NA NA +MJ010988 N-(1-Carboxyethyl)histidine C9H13N3O4 227.090605 NA MeJP NA NA +MJ010989 Pentopyranine C C9H13N3O4 227.090605 NA MeJP NA NA +MetaCyc02117 deoxycytidine [d-cytidine;2'-deoxycytidine;] C9H13N3O4 227.090606 951-77-9 metacyc NA NA +HMDB00014 Deoxycytidine C9H13N3O4 227.090607 NA HMDB2010 NA NA +HMDB00014 Deoxycytidine C9H13N3O4 227.09061 http://www.hmdb.ca/metabolites/HMDB00014 PFEM_hmdb_metabocards_urine NA urine +HMDB00014 Deoxycytidine C9H13N3O4 227.09061 http://www.hmdb.ca/metabolites/HMDB00014 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00014 Deoxycytidine C9H13N3O4 227.09061 http://www.hmdb.ca/metabolites/HMDB00014 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00014 Deoxycytidine C9H13N3O4 227.09061 http://www.hmdb.ca/metabolites/HMDB00014 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00014 Deoxycytidine C9H13N3O4 227.09061 http://www.hmdb.ca/metabolites/HMDB00014 HMDB NA NA +HMDB00014 Deoxycytidine C9H13N3O4 227.09061 http://www.hmdb.ca/metabolites/HMDB00014 PFEM_hmdb_metabocards_blood NA blood +HMDB00014 Deoxycytidine C9H13N3O4 227.09061 HMDB00014 PFEM_hmdb_metabocards_official NA NA +C03621 N-Acetoxy-4-aminobiphenyl C14H13NO2 227.0946 NA KEGG NA NA +C04081 N-Hydroxy-4-acetylaminobiphenyl C14H13NO2 227.0946 NA KEGG NA NA +C10679 Flindersine C14H13NO2 227.0946 NA KEGG NA NA +MJ010990 1,6-Dihydroxy-3-methyl-9H-carbazole; 6-Me ether C14H13NO2 227.094628 NA MeJP NA NA +MJ010991 2,6-Dihydroxy-3-methyl-9H-carbazole; 2-Me ether C14H13NO2 227.094628 NA MeJP NA NA +MJ010992 2,6-Dihydroxy-3-methyl-9H-carbazole; 6-Me ether C14H13NO2 227.094628 NA MeJP NA NA +MJ010993 3-(Hydroxymethyl)-9H-carbazole; N-Methoxy C14H13NO2 227.094628 NA MeJP NA NA +MJ010994 3-Hydroxymethyl-1-methoxycarbazole C14H13NO2 227.094628 NA MeJP NA NA +MJ010995 9H-Carbazole-2,7-diol; Di-Me ether C14H13NO2 227.094628 NA MeJP NA NA +MJ010996 Diphenan C14H13NO2 227.094628 NA MeJP NA NA +MJ010997 Flindersine C14H13NO2 227.094628 NA MeJP NA NA +MJ010998 Mukoline C14H13NO2 227.094628 NA MeJP NA NA +MJ010999 Paxamate C14H13NO2 227.094628 NA MeJP NA NA +CJpos0592 Porphobilinogen [(M+H)]+ (13C) C913CH15N2O4 227.098175 C18rt(min)=4.85 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0592 Porphobilinogen [(M+H)]+ (13C) C913CH15N2O4 227.098175 C18rt(min)=4.85 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJneg0421 Porphobilinogen [(M-H)]- (13C) C913CH13N2O4 227.099225 C18rt(min)=4.51 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0421 Porphobilinogen [(M-H)]- (13C) C913CH13N2O4 227.099225 C18rt(min)=4.51 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ011000 4-Amino-N-(2-aminophenyl)benzamide C13H13N3O 227.105862 NA MeJP NA NA +MJ011001 Etolorex C12H18ClNO 227.107691 NA MeJP NA NA +MJ011002 Tulobuterol C12H18ClNO 227.107691 NA MeJP NA NA +7548 ACE inhibitor IWH 227.1105 MH2+ Inhouse_peptide NA peptide +8003 synthetic peptide LHW 227.1105 MH2+ Inhouse_peptide NA peptide +8010 synthetic peptide LWH 227.1105 MH2+ Inhouse_peptide NA peptide +MJ011003 ?-Hydroxymescaline C11H17NO4 227.115758 NA MeJP NA NA +MJ011004 Dimetofrine C11H17NO4 227.115758 NA MeJP NA NA +CJpos0593 Creatinine (and isomer) [(2M+H)]+ (13C) C713CH15N6O2 227.120675 C18rt(min)=0.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0593 Creatinine (and isomer) [(2M+H)]+ (13C) C713CH15N6O2 227.120675 C18rt(min)=0.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ011005 2-Decene-4,6,8-triynoic acid, 3-Methylbutylamide C15H17NO 227.131014 NA MeJP NA NA +MJ011006 2-Pentyl-4(1H)-quinolinone; OH-form, 1',2'-Didehydro, Me ether C15H17NO 227.131014 NA MeJP NA NA +MJ011007 1-Amino-3-hydroxy-8-decen-5-one, N-Ac C12H21NO3 227.152143 NA MeJP NA NA +MJ011008 3-Aminodihydro-2(3H)-furanone, N-Octanoyl C12H21NO3 227.152143 NA MeJP NA NA +MJ011009 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(2-Methylpropanoyl) C12H21NO3 227.152143 NA MeJP NA NA +MJ011010 Epilupinine, Ac, N-oxide C12H21NO3 227.152143 NA MeJP NA NA +MJ011011 Herbindole B C16H21N 227.167399 NA MeJP NA NA +MJ011012 Tazadolene C16H21N 227.167399 NA MeJP NA NA +MJ011013 2-(2-Hydroxybutyl)-6-(2-hydroxypropyl)-1-methylpiperidine; 3,4-Didehydro C13H25NO2 227.188529 NA MeJP NA NA +MJ011014 8,10-Diethyllobelidiol; Monoketone, N-de-Me C13H25NO2 227.188529 NA MeJP NA NA +MJ011015 Andrachcinidine C13H25NO2 227.188529 NA MeJP NA NA +MJ011016 Cyprodenate C13H25NO2 227.188529 NA MeJP NA NA +MJ011017 2-Amino-11,13-tetradecadien-3-ol, 13,14-Dihydro C14H29NO 227.224914 NA MeJP NA NA +MJ011018 Decanoic acid; 2-Methylpropylamide C14H29NO 227.224914 NA MeJP NA NA +MJ011019 12-Methyl-1-tetradecylamine C15H33N 227.2613 NA MeJP NA NA +8226 antioxidative peptide MWC 227.5597 MH2+ Inhouse_peptide NA peptide +3297 NA YHH 227.5895 MH2+ Inhouse_peptide NA peptide +7914 synthetic peptide HYH 227.5895 MH2+ Inhouse_peptide NA peptide +7917 synthetic peptide HHY 227.5895 MH2+ Inhouse_peptide NA peptide +2622 synthetic fr,of human beta-CN (65-68) ACE inhibitor NILP 227.63145 MH2+ Inhouse_peptide NA peptide +8183 ACE Inhibitor VIKP 227.649 MH2+ Inhouse_peptide NA peptide +MJ011020 3,3-Dibromo-2-propenoic acid C3H2Br2O2 227.842154 NA MeJP NA NA +MJ011021 Triclofos C2H4Cl3O4P 227.891278 NA MeJP NA NA +C07165 Triclofos C2H4Cl3O4P 227.8913 NA KEGG NA NA +C11319 3,5-Dinitrosalicylic acid C7H4N2O7 228.0019 NA KEGG NA NA +MJ011022 Thiolutin C8H8N2O2S2 228.002718 NA MeJP NA NA +C08461 Thiarubrine A C13H8S2 228.0067 NA KEGG NA NA +C08462 Thiarubrine B C13H8S2 228.0067 NA KEGG NA NA +MJ011023 1,6-Tridecadiene-3,9,11-triyne-5,8-dithione C13H8S2 228.006741 NA MeJP NA NA +MJ011024 2-(1-Propynyl)-5-(2-thienylethynyl)thiophene C13H8S2 228.006741 NA MeJP NA NA +MJ011025 5,12-Tridecadiene-2,8,10-triyne-4,7-dithione C13H8S2 228.006741 NA MeJP NA NA +MJ011026 5-(1,3-Pentadiynyl)-2,2'-bithiophene C13H8S2 228.006741 NA MeJP NA NA +MJ011027 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene C13H8S2 228.006741 NA MeJP NA NA +MJ011028 Thiarubrin A C13H8S2 228.006741 NA MeJP NA NA +MJ011029 Thiarubrin B C13H8S2 228.006741 NA MeJP NA NA +MJ011030 3,5-Dialkyl-1,2,4-trithiolanes; 3-Benzyl-5-methyl-1,2,4-trithiolane C10H12S3 228.010112 NA MeJP NA NA +MJ011031 4-Bromo-2-isopropyl-5-methylphenol C10H13BrO 228.014977 NA MeJP NA NA +MJ011032 3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, 4?-Chloro C10H9ClO4 228.018936 NA MeJP NA NA +MJ011033 3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, 5-Chloro C10H9ClO4 228.018936 NA MeJP NA NA +MJ011034 4,6-Dihydroxy-1(3H)-isobenzofuranone; 7-Chloro, di-Me ether C10H9ClO4 228.018936 NA MeJP NA NA +MJ011035 3,4,5-Trihydroxy-1,2-benzenedicarboxylic acid; 3-Me ether C9H8O7 228.027002 NA MeJP NA NA +MJ011036 3,4,6-Trihydroxy-1,2-benzenedicarboxylic acid; 3-Me ether C9H8O7 228.027002 NA MeJP NA NA +MJ011037 Pentahydroxybenzoic acid; 3,4-Methylene ether, Me ester C9H8O7 228.027002 NA MeJP NA NA +MJ011038 Benurestat C9H9ClN2O3 228.030169 NA MeJP NA NA +C16457 Radium-228 Ra 228.0311 NA KEGG NA NA +C16458 Shale oils Ra 228.0311 NA KEGG NA NA +MJ011039 4-Chloro-2-(1,3,5-heptatriynyl)-1-methoxybenzene C14H9ClO 228.034192 NA MeJP NA NA +HMDB01343 Mevalonic acid-5P C6H13O7P 228.039886 NA HMDB2010 NA NA +MJ011040 3,5-Dihydroxy-3-methylpentanoic acid, 5-Phosphate C6H13O7P 228.039889 NA MeJP NA NA +MJ011041 (R)-5-Phosphomevalonate C6H13O7P 228.039889 NA MeJP NA NA +MetaCyc02118 mevalonate-5P [(R)-5-Phosphomevalonic acid;mevalonate-5-phosphate;(R)-5-Phosphomevalonate;(R)-Mevalonic acid 5-phosphate;(R)-5-Phosphomevaloonic acid;mevalonate-5-P;mevalonate-P;P-mevalonate;5-phosphomevalonate;] C6H13O7P1 228.039889 73566-35-5 metacyc NA NA +HMDB01343 Mevalonic acid-5P C6H13O7P 228.03989 http://www.hmdb.ca/metabolites/HMDB01343 HMDB NA NA +HMDB01343 Mevalonic acid-5P C6H13O7P 228.03989 HMDB01343 PFEM_hmdb_metabocards_official NA NA +C01107 (R)-5-Phosphomevalonate C6H13O7P 228.0399 NA KEGG NA NA +CJneg0422 Quinic acid [(M+Cl)]- C7H12ClO6 228.040625 C18rt(min)=0.89 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0422 Quinic acid [(M+Cl)]- C7H12ClO6 228.040625 C18rt(min)=0.89 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ011042 1,5-Dihydroxyxanthone C13H8O4 228.042258 NA MeJP NA NA +MJ011043 1,6-Dihydroxyxanthone C13H8O4 228.042258 NA MeJP NA NA +MJ011044 1,7-Dihydroxyxanthone C13H8O4 228.042258 NA MeJP NA NA +MJ011045 2,5-Dihydroxyxanthone C13H8O4 228.042258 NA MeJP NA NA +MJ011046 2,6-Dihydroxyxanthone C13H8O4 228.042258 NA MeJP NA NA +MJ011047 2,7-Dihydroxyxanthone C13H8O4 228.042258 NA MeJP NA NA +MJ011048 3,8-Dihydroxy-6H-dibenzo[b,d]pyran-6-one C13H8O4 228.042258 NA MeJP NA NA +MJ011049 5-Hydroxy-3-methylnaphtho[2,3-c]furan-4(9H)-one; 9-Oxo C13H8O4 228.042258 NA MeJP NA NA +MJ011050 8-Acetyl-2H-furo[2,3-h][1]benzopyran-2-one C13H8O4 228.042258 NA MeJP NA NA +MJ011051 Demethylcyperaquinone C13H8O4 228.042258 NA MeJP NA NA +C10061 Euxanthone C13H8O4 228.0423 NA KEGG NA NA +MJ011052 Anpirtoline C10H13ClN2S 228.048796 NA MeJP NA NA +MJ011053 2,2-Bis(ethylsulfonyl)propane C7H16O4S2 228.049 NA MeJP NA NA +CJneg0423 1-methyluric acid [(M-H)+(HCOOH)]- C7H7N4O5 228.050025 C18rt(min)=4.07 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0423 1-methyluric acid [(M-H)+(HCOOH)]- C7H7N4O5 228.050025 C18rt(min)=4.07 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C03872 L-Serine-phosphoethanolamine C5H13N2O6P 228.0511 NA KEGG NA NA +C03873 Linoleoylphosphatidylcholine C27H50NO8PR 228.0511 NA KEGG NA NA +C03874 Myosin heavy-chain phosphate C5H9N2O6PR2 228.0511 NA KEGG NA NA +C03875 Myosin light chain phosphate C4H7N2O6PR2 228.0511 NA KEGG NA NA +MJ011054 2-Aminoethyl seryl phosphate C5H13N2O6P 228.051122 NA MeJP NA NA +MetaCyc02119 serine phosphoethanolamine [] C5H13N2O6P1 228.051123 NA metacyc NA NA +MetaCyc02120 L-serine-phosphoethanolamine [] C5H13N2O6P1 228.051123 NA metacyc NA NA +MJ011055 1,8-Phenazinediol; 10-Oxide C12H8N2O3 228.053492 NA MeJP NA NA +MJ011056 2,3,7-Trihydroxyphenazine C12H8N2O3 228.053492 NA MeJP NA NA +MJ011057 9-Chloro-p-mentha-1,3,5,8-tetraene-2,5,10-triol; 2-Me ether C11H13ClO3 228.055321 NA MeJP NA NA +MJ011058 Benzenecarbothioic acid; SH-form, S-Benzyl ester C14H12OS 228.060885 NA MeJP NA NA +MJ011059 2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate C10H12O6 228.063388 NA MeJP NA NA +MJ011060 1,6,9,13-Tetraoxadispiro[4.2.4.2]tetradecane-2,10-dione C10H12O6 228.063388 NA MeJP NA NA +MJ011061 Carlosic acid C10H12O6 228.063388 NA MeJP NA NA +MJ011062 Prephenyllactic acid C10H12O6 228.063388 NA MeJP NA NA +MetaCyc02121 2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate [] C10H12O6 228.063388 NA metacyc NA NA +C06581 2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate C10H12O6 228.0634 NA KEGG NA NA +CJneg0424 Hydroxyphenyllactic acid [(M-H)+(HCOOH)]- C10H11O6 228.063925 C18rt(min)=5.22 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0424 Hydroxyphenyllactic acid [(M-H)+(HCOOH)]- C10H11O6 228.063925 C18rt(min)=5.22 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C11011 Metoxuron C10H13ClN2O2 228.0666 NA KEGG NA NA +EUR054 Deoxyuridine C9H12N2O5 228.0746 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR054 Deoxyuridine C9H12N2O5 228.0746 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR054 Deoxyuridine C9H12N2O5 228.0746 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR054 Deoxyuridine C9H12N2O5 228.0746 Wishlist Inhousejuil11 NA NA +C00526 Deoxyuridine C9H12N2O5 228.0746 NA KEGG NA NA +HMDB00012 Deoxyuridine C9H12N2O5 228.074615 NA HMDB2010 NA NA +HMDB00012 Deoxyuridine C9H12N2O5 228.07462 http://www.hmdb.ca/metabolites/HMDB00012 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00012 Deoxyuridine C9H12N2O5 228.07462 http://www.hmdb.ca/metabolites/HMDB00012 HMDB NA NA +HMDB00012 Deoxyuridine C9H12N2O5 228.07462 http://www.hmdb.ca/metabolites/HMDB00012 PFEM_hmdb_metabocards_blood NA blood +HMDB00012 Deoxyuridine C9H12N2O5 228.07462 HMDB00012 PFEM_hmdb_metabocards_official NA NA +MJ011063 Deoxyuridine C9H12N2O5 228.074621 NA MeJP NA NA +MJ011064 2'-Deoxyuridine C9H12N2O5 228.074621 NA MeJP NA NA +MJ011065 Asterionellin B C9H12N2O5 228.074621 NA MeJP NA NA +MJ011066 Dioxolane T C9H12N2O5 228.074621 NA MeJP NA NA +MJ011067 Zebularine C9H12N2O5 228.074621 NA MeJP NA NA +MetaCyc02122 deoxyuridine [2'-deoxyuridine;] C9H12N2O5 228.074622 951-78-0 metacyc NA NA +EUR054 Deoxyuridine C9H12N2O5 228.074623 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR054 Deoxyuridine C9H12N2O5 228.074623 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR054 Deoxyuridine C9H12N2O5 228.074623 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR054 Deoxyuridine C9H12N2O5 228.074623 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR054 Deoxyuridine C9H12N2O5 228.074623 Wishlist HMDB NA NA +EUR054 Deoxyuridine C9H12N2O5 228.074623 Wishlist Inhouse_PFEM NA NA +EUR054 Deoxyuridine C9H12N2O5 228.074623 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR054 Deoxyuridine C9H12N2O5 228.074623 Wishlist PFEM_hmdb_metabocards_official NA NA +MJ011068 Pemirolast C10H8N6O 228.075958 NA MeJP NA NA +EUR424 Deoxyuridine F1 NA 228.078375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR424 Deoxyuridine F1 NA 228.078375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR424 Deoxyuridine F1 NA 228.078375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR424 Deoxyuridine F1 NA 228.078375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR424 Deoxyuridine F1 NA 228.078375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR424 Deoxyuridine F1 NA 228.078375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR424 Deoxyuridine F1 NA 228.078375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR424 Deoxyuridine F1 NA 228.078375 standards wishlist analysés sur QTOF HMDB NA NA +EUR424 Deoxyuridine F1 NA 228.078375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR424 Deoxyuridine F1 NA 228.078375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR424 Deoxyuridine F1 NA 228.078375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR424 Deoxyuridine F1 NA 228.078375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C03582 3,4',5-Trihydroxystilbene C14H12O3 228.0786 NA KEGG NA NA +C09312 Seselin C14H12O3 228.0786 NA KEGG NA NA +C09314 Trioxsalen C14H12O3 228.0786 NA KEGG NA NA +C09317 Xanthyletin C14H12O3 228.0786 NA KEGG NA NA +C09925 5,6-Dehydrokawain C14H12O3 228.0786 NA KEGG NA NA +C14285 2-Hydroxy-4-methoxybenzophenone C14H12O3 228.0786 NA KEGG NA NA +C14393 Benzyl parahydroxybenzoate C14H12O3 228.0786 NA KEGG NA NA +C15196 3,4-Dihydro-8,9-dihydroxy-1(2H)-anthracenone C14H12O3 228.0786 NA KEGG NA NA +HMDB03747 Resveratrol C14H12O3 228.07864 http://www.hmdb.ca/metabolites/HMDB03747 HMDB NA NA +HMDB03747 Resveratrol C14H12O3 228.07864 HMDB03747 PFEM_hmdb_metabocards_official NA NA +HMDB03747 Resveratrol C14H12O3 228.078644 NA HMDB2010 NA NA +MJ011069 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene C14H12O3 228.078644 NA MeJP NA NA +MJ011070 2,4-Dihydroxybenzophenone; 4-Me ether C14H12O3 228.078644 NA MeJP NA NA +MJ011071 2-Hydroxy-6-(2,4-pentadiynyl)benzoic acid; Me ether, Me ester C14H12O3 228.078644 NA MeJP NA NA +MJ011072 2-Hydroxybenzoic acid; Benzyl ester C14H12O3 228.078644 NA MeJP NA NA +MJ011073 2-Methoxy-6-(2-phenylethenyl)-4H-1-pyran-4-one C14H12O3 228.078644 NA MeJP NA NA +MJ011074 4,9-Dimethoxynaphtho[2,3-b]furan C14H12O3 228.078644 NA MeJP NA NA +MJ011075 5,6-Dehydrokawain C14H12O3 228.078644 NA MeJP NA NA +MJ011076 5-(2-Hydroxyethylidene)-2-cyclopenten-1-one, Benzoyl C14H12O3 228.078644 NA MeJP NA NA +MJ011077 Angenomalin C14H12O3 228.078644 NA MeJP NA NA +MJ011078 Arnocoumarin; 2,3-Dihydro C14H12O3 228.078644 NA MeJP NA NA +MJ011079 Seselin C14H12O3 228.078644 NA MeJP NA NA +MJ011080 Trioxsalen C14H12O3 228.078644 NA MeJP NA NA +MJ011081 Triptispinocoumarin C14H12O3 228.078644 NA MeJP NA NA +MJ011082 Xanthyletin C14H12O3 228.078644 NA MeJP NA NA +MJ011083 3,4',5-Trihydroxystilbene C14H12O3 228.078644 NA MeJP NA NA +MetaCyc02123 resveratrol [3,5,4'-trihydroxystilbene;] C14H12O3 228.078644 NA metacyc NA NA +MetaCyc02124 3,4',5-trihydroxystilbene [] C14H12O3 228.078644 NA metacyc NA NA +CJneg0425 Mannitol (and isomers) [(M-H)+(HCOOH)]- C7H15O8 228.085025 C18rt(min)=0.85 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0425 Mannitol (and isomers) [(M-H)+(HCOOH)]- C7H15O8 228.085025 C18rt(min)=0.85 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ011084 2'-Deoxy-5-azacytidine C8H12N4O4 228.085854 NA MeJP NA NA +MJ011085 4,8-Dimethoxy-?-carboline C13H12N2O2 228.089877 NA MeJP NA NA +MJ011086 7-Methoxy-1-methyl-?-carboline; N-Oxide C13H12N2O2 228.089877 NA MeJP NA NA +MJ011087 Aaptamine C13H12N2O2 228.089877 NA MeJP NA NA +MJ011088 Aaptosine C13H12N2O2 228.089877 NA MeJP NA NA +MJ011089 Ozagrel C13H12N2O2 228.089877 NA MeJP NA NA +MJ011090 4-Chloro-3,7-dimethyl-3,5,7-octatrien-1-ol, Ac C12H17ClO2 228.091707 NA MeJP NA NA +MJ011091 Fenpentadiol C12H17ClO2 228.091707 NA MeJP NA NA +MJ011092 1-Hydroxy-6-isopropyl-3-[2-(methylthio)ethyl]-2(1H)-pyrazinone C10H16N2O2S 228.093248 NA MeJP NA NA +MJ011093 Brevinarcone C10H16N2O2S 228.093248 NA MeJP NA NA +C14222 Chrysene C18H12 228.0939 NA KEGG NA NA +C14317 Benz[a]anthracene C18H12 228.0939 NA KEGG NA NA +PARAC028 UNKNOWN signif manip paracetamol NA 228.0948 RT3 PFEM_hmdb_metabocards_urine NA urine +PARAC028 UNKNOWN signif manip paracetamol NA 228.0948 RT3 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC028 UNKNOWN signif manip paracetamol NA 228.0948 RT3 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC028 UNKNOWN signif manip paracetamol NA 228.0948 RT3 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC028 UNKNOWN signif manip paracetamol NA 228.0948 RT3 HMDB NA NA +PARAC028 UNKNOWN signif manip paracetamol NA 228.0948 RT3 Inhouse_PFEM NA NA +PARAC028 UNKNOWN signif manip paracetamol NA 228.0948 RT3 PFEM_hmdb_metabocards_blood NA blood +PARAC028 UNKNOWN signif manip paracetamol NA 228.0948 RT3 PFEM_hmdb_metabocards_official NA NA +MJ011094 3-(3,4,5-Trihydroxyphenyl)-1,2-propanediol; 3',4'-Di-Me ether C11H16O5 228.099773 NA MeJP NA NA +MJ011095 5,6-Dihydro-4,6-dihydroxy-2H-pyran-2-one, 4-Me ether, 6-O-pentanoyl C11H16O5 228.099773 NA MeJP NA NA +MJ011096 Agistatin B; 4-Ketone, 8a-hydroxy C11H16O5 228.099773 NA MeJP NA NA +MJ011097 Antibiotic LL-P880? C11H16O5 228.099773 NA MeJP NA NA +MJ011098 Chlamydospordiol C11H16O5 228.099773 NA MeJP NA NA +MJ011099 Decarestrictine B; 5-Epimer, 5-Me ether C11H16O5 228.099773 NA MeJP NA NA +MJ011100 Dihydro-3-hydroxy-3-(1-hydroxy-2,4-hexadienyl)-4-(hydroxymethyl)-2(3H)-furanone C11H16O5 228.099773 NA MeJP NA NA +MJ011101 Loganic acid; Aglycone, 1-epimer, Me ester C11H16O5 228.099773 NA MeJP NA NA +MJ011102 Loganic acid; Aglycone, Me ester C11H16O5 228.099773 NA MeJP NA NA +MJ011103 Octahydro-6-hydroxy-7-methyl-1-oxocyclopenta[c]pyran-4-carboxylic acid; Me ester C11H16O5 228.099773 NA MeJP NA NA +MJ011104 Penstemonoside; 1,8-Diepimer, aglycone C11H16O5 228.099773 NA MeJP NA NA +MJ011105 Penstemonoside; 8-Epimer, aglycone C11H16O5 228.099773 NA MeJP NA NA +MJ011106 Xanthocidin C11H16O5 228.099773 NA MeJP NA NA +MJ011107 8-Fluoro-1,2,3,4-tetrahydro-2,4-methanoacridin-9-amine C14H13FN2 228.106276 NA MeJP NA NA +C13733 (S)-ATPA C10H16N2O4 228.111 NA KEGG NA NA +MJ011108 ?-Amino-5-(1,1-dimethylethyl)-2,3-dihydro-3-oxo-4-isoxazolepropanoic acid C10H16N2O4 228.111007 NA MeJP NA NA +MJ011109 Longitubanine A; 4-Deoxy C10H16N2O4 228.111007 NA MeJP NA NA +HMDB06695 Prolylhydroxyproline C10H16N2O4 228.111008 NA HMDB2010 NA NA +HMDB06695 Prolylhydroxyproline C10H16N2O4 228.11101 http://www.hmdb.ca/metabolites/HMDB06695 HMDB NA NA +HMDB06695 Prolylhydroxyproline C10H16N2O4 228.11101 HMDB06695 PFEM_hmdb_metabocards_official NA NA +CJneg0426 Asp-Leu / Asp-Ile [(M-H)-(H2O)]- C10H15N2O4 228.111525 C18rt(min)=4.95 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0426 Asp-Leu / Asp-Ile [(M-H)-(H2O)]- C10H15N2O4 228.111525 C18rt(min)=4.95 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +3779 dipeptidyl carboxypeptidase inhibitor PPPF 228.112 MH2+ Inhouse_peptide NA peptide +MJ011110 2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; 1-Me C11H12N6 228.112344 NA MeJP NA NA +MJ011111 2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; 9-Me C11H12N6 228.112344 NA MeJP NA NA +MJ011112 Pseudozoanthoxin A; 3-Me C11H12N6 228.112344 NA MeJP NA NA +7652 ACE inhibitor from wakame KFY 228.1125 MH2+ Inhouse_peptide NA peptide +3776 PEP inhibitor MPLP 228.1142 MH2+ Inhouse_peptide NA peptide +C10371 Mansonone C C15H16O2 228.115 NA KEGG NA NA +C13624 Bisphenol A C15H16O2 228.115 NA KEGG NA NA +C15210 1,1-Bis(4-hydroxyphenyl)propane C15H16O2 228.115 NA KEGG NA NA +C17424 Lindenenone C15H16O2 228.115 NA KEGG NA NA +MJ011113 1(10),2,4(15),11(13)-Guaiatetraen-12,6-olide C15H16O2 228.115029 NA MeJP NA NA +MJ011114 1(10),5,7(11),8-Guaiatetraen-12,8-olide C15H16O2 228.115029 NA MeJP NA NA +MJ011115 1,3-Diphenyl-1,2-propanediol C15H16O2 228.115029 NA MeJP NA NA +MJ011116 1,3-Diphenyl-1,3-propanediol C15H16O2 228.115029 NA MeJP NA NA +MJ011117 1,4,4a,9a-Tetrahydro-10-hydroxy-2-methyl-9(10H)-anthracenone C15H16O2 228.115029 NA MeJP NA NA +MJ011118 1,4,4a,9a-Tetrahydro-10-hydroxy-3-methyl-9(10H)-anthracenone C15H16O2 228.115029 NA MeJP NA NA +MJ011119 1-(3,5-Dihydroxy-4-methylphenyl)-2-phenylethane C15H16O2 228.115029 NA MeJP NA NA +MJ011120 1-(3,5-Dihydroxyphenyl)-2-phenylethane; Mono-Me ether C15H16O2 228.115029 NA MeJP NA NA +MJ011121 1-(3-Hydroxyphenyl)-2-(4-hydroxyphenyl)ethane; 3-Me ether C15H16O2 228.115029 NA MeJP NA NA +MJ011122 1-(3-Hydroxyphenyl)-2-(4-hydroxyphenyl)ethane; 4'-Me ether C15H16O2 228.115029 NA MeJP NA NA +MJ011123 10-Desmethyl-1-methyl-1,3,5(10),11(13)-eudesmatetraen-12,8-olide C15H16O2 228.115029 NA MeJP NA NA +MJ011124 2,5-Dimethyl-8-isopropyl-1,4-naphthoquinone C15H16O2 228.115029 NA MeJP NA NA +MJ011125 2,8,10-Tridecatriene-4,6-diyn-1-ol; Ac C15H16O2 228.115029 NA MeJP NA NA +MJ011126 2,8-Decadiene-4,6-diyn-1-ol, 3-Methyl-2-butenoyl ester C15H16O2 228.115029 NA MeJP NA NA +MJ011127 2-Decene-4,6,8-triyn-1-ol, 3-Methylbutanoyl C15H16O2 228.115029 NA MeJP NA NA +MJ011128 3,5,11-Tridecatriene-7,9-diyn-1-ol, Ac C15H16O2 228.115029 NA MeJP NA NA +MJ011129 3,5,7-Tridecatriene-9,11-diyn-1-ol, Ac C15H16O2 228.115029 NA MeJP NA NA +MJ011130 4(15),6,8-Hirsutatriene-5,10-dione C15H16O2 228.115029 NA MeJP NA NA +MJ011131 4,6,12-Tetradecatriene-8,10-diynoic acid, Me ester C15H16O2 228.115029 NA MeJP NA NA +MJ011132 4-(2-Phenylethyl)-1,2-benzenediol; 3-Me ether C15H16O2 228.115029 NA MeJP NA NA +MJ011133 4-(2-Phenylethyl)-1,2-benzenediol; 4-Me ether C15H16O2 228.115029 NA MeJP NA NA +MJ011134 4-(6-Methoxy-2-naphthalenyl)-2-butanone C15H16O2 228.115029 NA MeJP NA NA +MJ011135 Cacalol; Deoxy, 1-oxo C15H16O2 228.115029 NA MeJP NA NA +MJ011136 Catalponol; Ketone C15H16O2 228.115029 NA MeJP NA NA +MJ011137 Curzeone C15H16O2 228.115029 NA MeJP NA NA +MJ011138 Faramol C15H16O2 228.115029 NA MeJP NA NA +MJ011139 Furanoeudesma-1,4-dien-6-one C15H16O2 228.115029 NA MeJP NA NA +MJ011140 Furoixiolal C15H16O2 228.115029 NA MeJP NA NA +MJ011141 Lapachenol; 3,4-Dihydro, O-de-Me C15H16O2 228.115029 NA MeJP NA NA +MJ011142 Lindenene; 6-Oxo C15H16O2 228.115029 NA MeJP NA NA +MJ011143 Mansonone C C15H16O2 228.115029 NA MeJP NA NA +MJ011144 Shizukanolide; 8,9-Didehydro C15H16O2 228.115029 NA MeJP NA NA +MJ011145 Tetrahydro-5-(1,3,9-undecatriene-5,7-diynyl)-2-furanol C15H16O2 228.115029 NA MeJP NA NA +MetaCyc02125 dihydropinosylvin monomethylether [] C15H16O2 228.11503 NA metacyc NA NA +MJ011146 8-Mercapto-p-menthan-3-one, S-Ac C12H20O2S 228.1184 NA MeJP NA NA +C06656 Deoxyguanidinoproclavaminic acid C9H16N4O3 228.1222 NA KEGG NA NA +MJ011147 N5-(5-Methyl-4-oxo-2-imidazolin-2-yl)ornithine C9H16N4O3 228.12224 NA MeJP NA NA +MJ011148 Deoxyguanidinoproclavaminic acid C9H16N4O3 228.12224 NA MeJP NA NA +MetaCyc02126 deoxyamidinoproclavaminate [] C9H16N4O3 228.12224 NA metacyc NA NA +MJ011149 2-(2-Aminobenzylamino)benzyl alcohol C14H16N2O 228.126263 NA MeJP NA NA +MJ011150 3-(1,2,3,6-Tetrahydro-4-pyridinyl)-1H-indol-5-ol; Me ether C14H16N2O 228.126263 NA MeJP NA NA +MJ011151 6-Benzyl-3-isopropyl-2(1H)-pyrazinone C14H16N2O 228.126263 NA MeJP NA NA +MJ011152 Coumazoline C14H16N2O 228.126263 NA MeJP NA NA +MJ011153 Peganidine; Deoxy C14H16N2O 228.126263 NA MeJP NA NA +MJ011154 Prifuroline C14H16N2O 228.126263 NA MeJP NA NA +3620 NA GRKP 228.134 MH2+ Inhouse_peptide NA peptide +3180 dipeptidyl-aminopeptidase IV inhibitor LP 228.136 celiac toxic Inhouse_peptide NA peptide +7513 ACE inhibitor from Alaskan pollack skin PL 228.136 antioxidative Inhouse_peptide NA peptide +7581 ACE inhibitor IP 228.136 antioxidative Inhouse_peptide NA peptide +HMDB00933 Traumatic acid C12H20O4 228.13615 http://www.hmdb.ca/metabolites/HMDB00933 HMDB NA NA +HMDB00933 Traumatic acid C12H20O4 228.13615 HMDB00933 PFEM_hmdb_metabocards_official NA NA +HMDB00933 Traumatic acid C12H20O4 228.136154 NA HMDB2010 NA NA +MJ011155 2,5-Epidioxy-2-hydroxy-5-isopropyl-3-nonen-8-one C12H20O4 228.136159 NA MeJP NA NA +MJ011156 2-Dodecenedioic acid C12H20O4 228.136159 NA MeJP NA NA +MJ011157 3,4,5,8,9,10-Hexahydro-3,8,9-trihydroxy-10-propyl-2H-oxecin-2-one, 3-Deoxy C12H20O4 228.136159 NA MeJP NA NA +MJ011158 4-(5-Hydroxyheptyl)-3-methyl-2(5H)-furanone, 1'-Hydroxy C12H20O4 228.136159 NA MeJP NA NA +MJ011159 4-(6-Hydroxyheptyl)-3-methyl-2(5H)-furanone, 1'-Hydroxy C12H20O4 228.136159 NA MeJP NA NA +MJ011160 5,8-Dihydroxy-2,6-dodecadienoic acid C12H20O4 228.136159 NA MeJP NA NA +MJ011161 5-(1,7-Dihydroxyoctyl)-2(5H)-furanone C12H20O4 228.136159 NA MeJP NA NA +MJ011162 6,7-Epoxy-3,7-dimethyl-2-octene-1,5-diol; 1-Ac C12H20O4 228.136159 NA MeJP NA NA +MJ011163 8,12-Dihydroxy-2,4-dodecadienoic acid C12H20O4 228.136159 NA MeJP NA NA +MJ011164 Chokolic acid A C12H20O4 228.136159 NA MeJP NA NA +MJ011165 Cladospolide A C12H20O4 228.136159 NA MeJP NA NA +MJ011166 Humidin C12H20O4 228.136159 NA MeJP NA NA +MJ011167 p-Menth-3-ene-1,2,8-triol, 2-Ac C12H20O4 228.136159 NA MeJP NA NA +C16308 Traumatic acid C12H20O4 228.1362 NA KEGG NA NA +MJ011168 Mifentidine C13H16N4 228.137496 NA MeJP NA NA +HMDB11174 L-isoleucyl-L-proline C11H20N2O3 228.147385 NA HMDB2010 NA NA +HMDB11175 L-leucyl-L-proline C11H20N2O3 228.147385 NA HMDB2010 NA NA +MJ011169 ?-Methyldethiobiotin C11H20N2O3 228.147392 NA MeJP NA NA +PJ000061 PL C11H20N2O3 228.1474 NA PeJP NA NA +MJ011170 1,8,14-Hexadecatriene-10,12-diyn-7-ol C16H20O 228.151415 NA MeJP NA NA +MJ011171 2-Isopropyl-4,7-dimethyl-1-naphthol; Me ether C16H20O 228.151415 NA MeJP NA NA +MJ011172 3-Cadalenol; Me ether C16H20O 228.151415 NA MeJP NA NA +MJ011173 6,8,12,14-Hexadecatetraen-10-yn-1-ol, Aldehyde C16H20O 228.151415 NA MeJP NA NA +MJ011174 6,8,14-Hexadecatriene-10,12-diyn-1-ol C16H20O 228.151415 NA MeJP NA NA +MJ011175 7,14-Hexadecadiene-10,12-diynal C16H20O 228.151415 NA MeJP NA NA +MJ011176 1,2,3,4-Tetrahydro-1-isobutyl-?-carboline C15H20N2 228.162648 NA MeJP NA NA +MJ011177 3-[2-(4-Piperidinyl)ethyl]-1H-indole C15H20N2 228.162648 NA MeJP NA NA +MJ011178 4,5,7a,8,9,10,11,11a-Octahydro-10-methyl-7H-indolo[1,7-bc][2,6]naphthyridine C15H20N2 228.162648 NA MeJP NA NA +MJ011179 11-Hydroxy-9-tridecenoic acid C13H24O3 228.172544 NA MeJP NA NA +MJ011180 7-Hydroxy-4-dodecenoic acid, Me ether C13H24O3 228.172544 NA MeJP NA NA +MJ011181 7-Megastigmene-3,4,9-triol C13H24O3 228.172544 NA MeJP NA NA +MJ011182 7-Megastigmene-3,6,9-triol C13H24O3 228.172544 NA MeJP NA NA +MJ011183 7-Megastigmene-5,6,9-triol C13H24O3 228.172544 NA MeJP NA NA +MJ011184 8,9-Dihydroxy-5-isopropyl-8-methyl-6-nonen-2-one C13H24O3 228.172544 NA MeJP NA NA +MJ011185 8-Hydroxy-5-isopropyl-8-methyl-6-nonen-2-one, 6,7-Epoxide C13H24O3 228.172544 NA MeJP NA NA +MJ011186 9,13-Dihydroxy-3-megastigmanone C13H24O3 228.172544 NA MeJP NA NA +MJ011187 ?,?,5-Trimethyl-2-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane-7-methanol C13H24O3 228.172544 NA MeJP NA NA +MJ011188 Falintolol C12H24N2O2 228.183778 NA MeJP NA NA +MJ011189 1,7,9,13-Heptadecatetraen-11-yne C17H24 228.1878 NA MeJP NA NA +MJ011190 1,8,13,15-Heptadecatetraen-11-yne C17H24 228.1878 NA MeJP NA NA +MJ011191 1,8-Heptadecadiene-11,13-diyne C17H24 228.1878 NA MeJP NA NA +MJ011192 2,9-Heptadecadiene-4,6-diyne C17H24 228.1878 NA MeJP NA NA +C06424 Tetradecanoic acid C14H28O2 228.2089 NA KEGG NA NA +HMDB00806 Myristic acid C14H28O2 228.20892 http://www.hmdb.ca/metabolites/HMDB00806 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00806 Myristic acid C14H28O2 228.20892 http://www.hmdb.ca/metabolites/HMDB00806 HMDB NA NA +HMDB02221 2,6,10-Trimethylundecanoic acid C14H28O2 228.20892 http://www.hmdb.ca/metabolites/HMDB02221 HMDB NA NA +HMDB00806 Myristic acid C14H28O2 228.20892 http://www.hmdb.ca/metabolites/HMDB00806 PFEM_hmdb_metabocards_blood NA blood +HMDB00806 Myristic acid C14H28O2 228.20892 HMDB00806 PFEM_hmdb_metabocards_official NA NA +HMDB02221 2,6,10-Trimethylundecanoic acid C14H28O2 228.20892 HMDB02221 PFEM_hmdb_metabocards_official NA NA +HMDB00806 Myristic acid C14H28O2 228.208923 NA HMDB2010 NA NA +HMDB02221 2,6,10-Trimethylundecanoic acid C14H28O2 228.208923 NA HMDB2010 NA NA +MJ011193 1-Dodecanol; Ac C14H28O2 228.20893 NA MeJP NA NA +MJ011194 12-Methyltridecanoic acid C14H28O2 228.20893 NA MeJP NA NA +MJ011195 2,4,6,8-Tetramethyldecanoic acid C14H28O2 228.20893 NA MeJP NA NA +MJ011196 2,5-Dimethyldodecanoic acid C14H28O2 228.20893 NA MeJP NA NA +MJ011197 2,6,10-Trimethylundecanoic acid C14H28O2 228.20893 NA MeJP NA NA +MJ011198 2-Dodecanol, Ac C14H28O2 228.20893 NA MeJP NA NA +MJ011199 3-Methyltridecanoic acid C14H28O2 228.20893 NA MeJP NA NA +MJ011200 4,10-Dimethyldodecanoic acid C14H28O2 228.20893 NA MeJP NA NA +MJ011201 4,11-Dimethyldodecanoic acid C14H28O2 228.20893 NA MeJP NA NA +MJ011202 8-Methyl-2-decanol, Propanoyl C14H28O2 228.20893 NA MeJP NA NA +MJ011203 Dodecanoic acid; Et ester C14H28O2 228.20893 NA MeJP NA NA +MJ011204 Nonanoic acid; 3-Methylbutyl ester C14H28O2 228.20893 NA MeJP NA NA +MJ011205 Tetradecanoic acid C14H28O2 228.20893 NA MeJP NA NA +MJ011206 1-Pentadecanol C15H32O 228.245315 NA MeJP NA NA +MJ011207 12-Methyl-1-tetradecanol C15H32O 228.245315 NA MeJP NA NA +MJ011208 3,7-Dimethyl-2-tridecanol C15H32O 228.245315 NA MeJP NA NA +MJ011209 4,10-Dimethyl-7-tridecanol C15H32O 228.245315 NA MeJP NA NA +MJ011210 4-Methyl-7-tetradecanol C15H32O 228.245315 NA MeJP NA NA +MJ011211 8-Pentadecanol C15H32O 228.245315 NA MeJP NA NA +7940 synthetic peptide YYI 228.605 MH2+ Inhouse_peptide NA peptide +7941 synthetic peptide YYL 228.605 MH2+ Inhouse_peptide NA peptide +7954 synthetic peptide IYY 228.605 MH2+ Inhouse_peptide NA peptide +7955 synthetic peptide LYY 228.605 MH2+ Inhouse_peptide NA peptide +7958 synthetic peptide YIY 228.605 MH2+ Inhouse_peptide NA peptide +7959 synthetic peptide YLY 228.605 MH2+ Inhouse_peptide NA peptide +8048 synthetic peptide PWR 228.616 MH2+ Inhouse_peptide NA peptide +8309 ACE inhibitor VRSP 228.6265 MH2+ Inhouse_peptide NA peptide +3623 NA TKPI 228.6385 MH2+ Inhouse_peptide NA peptide +8104 peptide derived from dried bonito VVKL 228.657 MH2+ Inhouse_peptide NA peptide +MetaCyc02127 nitrapyrin [2-chloro-6-(trichloromethyl)pyridine;N-serve;N-serve nitrogen stabilizer;Dowco-163;2-picoline, α,α,α,6-tetrachloro-;;] C6H3N1CL4 228.90196 NA metacyc NA NA +MJ011212 6-Bromo-3-chloro-1H-indole C8H5BrClN 228.929389 NA MeJP NA NA +MJ011213 5-Bromo-2-hydroxy-3-methylbenzoic acid; Amide C8H8BrNO2 228.973841 NA MeJP NA NA +MJ011214 Nimidane C9H8ClNS2 228.978668 NA MeJP NA NA +MJ011215 Aminozolamide C7H7N3O2S2 228.997967 NA MeJP NA NA +C14326 Dimethoate C5H12NO3PS2 228.9996 NA KEGG NA NA +MetaCyc02128 sulfoethylcysteine [S-(2-sulfoethyl)cysteine;] C5H11N1O5S2 229.007864 NA metacyc NA NA +MJ011216 Clonidine C9H9Cl2N3 229.017352 NA MeJP NA NA +MJ011217 Zyzzin C11H7N3OS 229.030982 NA MeJP NA NA +C03090 5-Phosphoribosylamine C5H12NO7P 229.0351 NA KEGG NA NA +MJ011218 4-Amino-4-deoxyarabinose; ?-L-Pyranose-form, 1-Dihydrogen phosphate C5H12NO7P 229.035138 NA MeJP NA NA +MJ011219 5-Phosphoribosylamine C5H12NO7P 229.035138 NA MeJP NA NA +MetaCyc02129 5-phospho-β-D-ribosyl-amine [5-phospho-β-D-ribosyl-amine;5-P-β-D-ribosyl-amine;PRA;5-phosphoribosylamine;] C5H12N1O7P1 229.035138 NA metacyc NA NA +HMDB01128 5-Phosphoribosylamine C5H12NO7P 229.03514 http://www.hmdb.ca/metabolites/HMDB01128 HMDB NA NA +HMDB01128 5-Phosphoribosylamine C5H12NO7P 229.03514 HMDB01128 PFEM_hmdb_metabocards_official NA NA +HMDB01128 5-Phosphoribosylamine C5H12NO7P 229.035141 NA HMDB2010 NA NA +C11178 Resazurin C12H7NO4 229.0375 NA KEGG NA NA +MJ011220 Amiloride C6H8ClN7O 229.047885 NA MeJP NA NA +C06821 Amiloride C6H8ClN7O 229.0479 NA KEGG NA NA +C06822 Transferred to D00227 C6H8ClN7O 229.0479 NA KEGG NA NA +CJneg0427 4-Methylhippuric acid / 3-Methylhippuric acid [(M+Cl)]- C10H11ClNO3 229.051125 C18rt(min)=6.62 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0428 2-methylhippuric acid (ortho-methylhippuric acid) [(M+Cl)]- C10H11ClNO3 229.051125 C18rt(min)=6.13 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0427 4-Methylhippuric acid / 3-Methylhippuric acid [(M+Cl)]- C10H11ClNO3 229.051125 C18rt(min)=6.62 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0428 2-methylhippuric acid (ortho-methylhippuric acid) [(M+Cl)]- C10H11ClNO3 229.051125 C18rt(min)=6.13 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C07065 Lamivudine C8H11N3O3S 229.0521 NA KEGG NA NA +C07066 Transferred to D00354 C8H11N3O3S 229.0521 NA KEGG NA NA +C07067 Transferred to D00355 C8H11N3O3S 229.0521 NA KEGG NA NA +C07068 Transferred to D00356 C8H11N3O3S 229.0521 NA KEGG NA NA +MJ011221 Lamivudine C8H11N3O3S 229.052111 NA MeJP NA NA +C04796 4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde C9H11NO6 229.0586 NA KEGG NA NA +C04797 5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde C9H11NO6 229.0586 NA KEGG NA NA +C17758 4,5-seco-Dopa C9H11NO6 229.0586 NA KEGG NA NA +MJ011222 Showdomycin C9H11NO6 229.058637 NA MeJP NA NA +MJ011223 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde C9H11NO6 229.058637 NA MeJP NA NA +MJ011224 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde C9H11NO6 229.058637 NA MeJP NA NA +MetaCyc02130 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde [] C9H11N1O6 229.058637 NA metacyc NA NA +MetaCyc02131 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde [] C9H11N1O6 229.058637 NA metacyc NA NA +C05353 TES C6H15NO6S 229.062 NA KEGG NA NA +C05354 Cyclopropylcarbinyl cation C6H15NO6S 229.062 NA KEGG NA NA +C05355 alpha-Phosphono sulfonate triacid C6H15NO6S 229.062 NA KEGG NA NA +CJneg0429 Hydroxyphenyllactic acid [(M-H)+(HCOOH)]- (13C) C913CH11O6 229.067325 C18rt(min)=5.22 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0429 Hydroxyphenyllactic acid [(M-H)+(HCOOH)]- (13C) C913CH11O6 229.067325 C18rt(min)=5.22 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ011225 4-Amino-2-hydroxybenzoic acid; Ph ester C13H11NO3 229.073893 NA MeJP NA NA +MJ011226 5-(4-Hydroxybenzyl)-2-pyridinecarboxylic acid C13H11NO3 229.073893 NA MeJP NA NA +MJ011227 Furo[2,3-b]quinoline-4,5-diol; Di-Me ether C13H11NO3 229.073893 NA MeJP NA NA +MJ011228 Furo[2,3-b]quinoline-4,6-diol; NH-form, 6-Me ether, N-Me C13H11NO3 229.073893 NA MeJP NA NA +MJ011229 Furo[2,3-b]quinoline-4,6-diol; OH-form, Di-Me ether C13H11NO3 229.073893 NA MeJP NA NA +MJ011230 Furo[2,3-b]quinoline-4,7-diol; OH-form, Di-Me ether C13H11NO3 229.073893 NA MeJP NA NA +MJ011231 Furo[2,3-b]quinoline-4,8-diol; NH-form, 8-Me ether, N-Me C13H11NO3 229.073893 NA MeJP NA NA +MJ011232 Furo[2,3-b]quinoline-4,8-diol; OH-form, Di-Me ether C13H11NO3 229.073893 NA MeJP NA NA +MJ011233 Osalmid C13H11NO3 229.073893 NA MeJP NA NA +MJ011234 Vertilecanine A C13H11NO3 229.073893 NA MeJP NA NA +C10676 gamma-Fagarine C13H11NO3 229.0739 NA KEGG NA NA +MJ011235 4,5-Dihydro-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine C10H10F3N3 229.082681 NA MeJP NA NA +3493 ACE inhibitor from sake YGGY 229.084 MH2+ Inhouse_peptide NA peptide +7947 synthetic peptide YYN 229.08445 MH2+ Inhouse_peptide NA peptide +7965 synthetic peptide NYY 229.08445 MH2+ Inhouse_peptide NA peptide +7968 synthetic peptide YNY 229.08445 MH2+ Inhouse_peptide NA peptide +MJ011236 Caerulomycin C12H11N3O2 229.085126 NA MeJP NA NA +MJ011237 Furonazide C12H11N3O2 229.085126 NA MeJP NA NA +MJ011238 2',3'-Dideoxy-2'-fluorocytidine C9H12FN3O3 229.086269 NA MeJP NA NA +EUR257 Ergothioneine F1 NA 229.088375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR257 Ergothioneine F1 NA 229.088375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR257 Ergothioneine F1 NA 229.088375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR257 Ergothioneine F1 NA 229.088375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR257 Ergothioneine F1 NA 229.088375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR257 Ergothioneine F1 NA 229.088375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR257 Ergothioneine F1 NA 229.088375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR257 Ergothionéine F1 NA 229.088375 standards wishlist analysés sur QTOF HMDB NA NA +EUR257 Ergothioneine F1 NA 229.088375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR257 Ergothioneine F1 NA 229.088375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR257 Ergothioneine F1 NA 229.088375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR257 Ergothioneine F1 NA 229.088375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ011239 1-Methyl-4-mercaptohistidine, N?,N?-Di-Me C9H15N3O2S 229.088497 NA MeJP NA NA +MJ011240 Ergothioneine C9H15N3O2S 229.088497 NA MeJP NA NA +EUR051 Ergothioneine C9H15N3O2S 229.088499 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR051 Ergothioneine C9H15N3O2S 229.088499 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR051 Ergothioneine C9H15N3O2S 229.088499 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR051 Ergothioneine C9H15N3O2S 229.088499 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR051 Ergothioneine C9H15N3O2S 229.088499 Wishlist HMDB NA NA +EUR051 Ergothioneine C9H15N3O2S 229.088499 Wishlist Inhouse_PFEM NA NA +EUR051 Ergothioneine C9H15N3O2S 229.088499 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR051 Ergothioneine C9H15N3O2S 229.088499 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR051 Ergothioneine C9H15N3O2S 229.0885 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR051 Ergothioneine C9H15N3O2S 229.0885 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR051 Ergothioneine C9H15N3O2S 229.0885 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB03045 Ergothioneine C9H15N3O2S 229.0885 http://www.hmdb.ca/metabolites/HMDB03045 HMDB NA NA +EUR051 Ergothioneine C9H15N3O2S 229.0885 Wishlist Inhousejuil11 NA NA +HMDB03045 Ergothioneine C9H15N3O2S 229.0885 HMDB03045 PFEM_hmdb_metabocards_official NA NA +HMDB03045 Ergothioneine C9H15N3O2S 229.088501 NA HMDB2010 NA NA +CJneg0430 Tetrahydrohippuric acid [(M-H)+(HCOOH)]- C10H14NO5 229.095525 C18rt(min)=6.33 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0430 Tetrahydrohippuric acid [(M-H)+(HCOOH)]- C10H14NO5 229.095525 C18rt(min)=6.33 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +6987 coeliac toxic peptide PSQQ 229.1 MH2+ Inhouse_peptide NA peptide +PJ000062 PN C9H15N3O4 229.1063 NA PeJP NA NA +C14312 Propazine C9H16ClN5 229.1094 NA KEGG NA NA +MJ011241 5-(Hydroxymethyl)-1H-pyrrole-2-carboxaldehyde; N-(2-Phenylethyl) C14H15NO2 229.110278 NA MeJP NA NA +MJ011242 6-(3-Methyl-2-butenyl)-1H-indole-3-carboxylic acid C14H15NO2 229.110278 NA MeJP NA NA +MJ011243 6-Oxo-2,4-hexadienoic acid, 2-Phenylethylamide C14H15NO2 229.110278 NA MeJP NA NA +MJ011244 Acequinoline C14H15NO2 229.110278 NA MeJP NA NA +MJ011245 Dilemmaone A C14H15NO2 229.110278 NA MeJP NA NA +MJ011246 Haplafine C14H15NO2 229.110278 NA MeJP NA NA +MJ011247 Haplofoline C14H15NO2 229.110278 NA MeJP NA NA +MJ011248 Oligophyline; N-De-Me C14H15NO2 229.110278 NA MeJP NA NA +8269 f(118-121) of bovine kappa casein EIPT 229.1125 MH2+ Inhouse_peptide NA peptide +3387 ACE inhibitor RFH 229.1135 MH2+ Inhouse_peptide NA peptide +8057 synthetic peptide RHF 229.1135 MH2+ Inhouse_peptide NA peptide +MJ011249 2-Amino-3-hydroxy-4-methyl-6-octenoic acid, N-Ac C11H19NO4 229.131408 NA MeJP NA NA +HMDB13126 Butenylcarnitine C11H19NO4 229.131409 NA HMDB2010 NA NA +MJ011250 2,4,6-Decatrienoic acid dehydropiperidide, 8,9-Didehydro C15H19NO 229.146664 NA MeJP NA NA +MJ011251 2,4-Undecadiene-8,10-diynoic acid, 2-Methylpropylamide C15H19NO 229.146664 NA MeJP NA NA +MJ011252 2,8-Decadiene-4,6-diynoic acid, 2-Methylpropylamide, N-Me C15H19NO 229.146664 NA MeJP NA NA +MJ011253 2,8-Decadiene-4,6-diynoic acid, 3-Methylbutylamide C15H19NO 229.146664 NA MeJP NA NA +MJ011254 2-(1-Ethylpropyl)-1-methyl-4(1H)-quinolinone C15H19NO 229.146664 NA MeJP NA NA +MJ011255 2-(1-Ethylpropyl)-4-methoxyquinoline C15H19NO 229.146664 NA MeJP NA NA +MJ011256 2-Pentyl-4(1H)-quinolinone; OH-form, Me ether C15H19NO 229.146664 NA MeJP NA NA +MJ011257 3-Methyl-2-pentyl-4(1H)-quinolinone C15H19NO 229.146664 NA MeJP NA NA +MJ011258 Atractylenolactam C15H19NO 229.146664 NA MeJP NA NA +MJ011259 Darlinine; 2-Ketone C15H19NO 229.146664 NA MeJP NA NA +MJ011260 Ferrugine C15H19NO 229.146664 NA MeJP NA NA +MJ011261 Furfenorex C15H19NO 229.146664 NA MeJP NA NA +MJ011262 Ipalbidine C15H19NO 229.146664 NA MeJP NA NA +MJ011263 Pronetalol C15H19NO 229.146664 NA MeJP NA NA +C11707 Pronethalol C15H19NO 229.1467 NA KEGG NA NA +MJ011264 Xestoamine C14H19N3 229.157897 NA MeJP NA NA +MJ011265 1-(1-Phenylcyclohexyl)pyrrolidine C16H23N 229.183049 NA MeJP NA NA +MJ011266 Axamide 1; 7,11-Didehydro, isocyanide C16H23N 229.183049 NA MeJP NA NA +MJ011267 Hirudonine C9H23N7 229.201493 NA MeJP NA NA +MJ011268 2-(2-Hydroxybutyl)-6-(2-hydroxypropyl)-1-methylpiperidine C13H27NO2 229.204179 NA MeJP NA NA +C13795 2S-Amino-tridecanoic acid C13H27NO2 229.2042 NA KEGG NA NA +MJ011269 2-Amino-3-tetradecanol C14H31NO 229.240564 NA MeJP NA NA +7924 synthetic peptide DYY 229.57645 MH2+ Inhouse_peptide NA peptide +7925 synthetic peptide YDY 229.57645 MH2+ Inhouse_peptide NA peptide +7926 synthetic peptide YYD 229.57645 MH2+ Inhouse_peptide NA peptide +8167 peptide derived from human fibrinogen a-chain RGDX 229.61645 MH2+ Inhouse_peptide NA peptide +C15505 2,3,5,6-Tetrachlorophenol C6H2Cl4O 229.886 NA KEGG NA NA +C15506 Steroid ester C6H2Cl4O 229.886 NA KEGG NA NA +C15507 Steroid lactone C6H2Cl4O 229.886 NA KEGG NA NA +MetaCyc02132 S4O6 [] H6O6S4 229.904721 NA metacyc NA NA +MJ011270 (2-Methylpropyl)pentathiane C5H10S5 229.938603 NA MeJP NA NA +C14644 4-Bromophenylthiourea C7H7BrN2S 229.9513 NA KEGG NA NA +JH121 Citric acid [M+K]+ NA 229.9702 2.57 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH121 Citric acid [M+K]+ NA 229.9702 2.57 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH121 Citric acid [M+K]+ NA 229.9702 2.57 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH121 Citric acid [M+K]+ NA 229.9702 2.57 Inhousejuil11 NA NA +MJ011271 4-Bromo-2-(guanidinomethyl)pyrrole; ?-Oxo C6H7BrN4O 229.980323 NA MeJP NA NA +CJpos0594 Citric acid [M+K]+ C6H8O7K 229.982375 C18rt(min)=1.09 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0594 Citric acid [M+K]+ C6H8O7K 229.982375 C18rt(min)=1.09 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ011272 5-[5-(Ethynyl-2-thienyl)ethynyl]-2,3-dihydrothiophene-3-ol; 3-Ketone C12H6OS2 229.986006 NA MeJP NA NA +MJ011273 Diazoxide C8H7ClN2O2S 229.991675 NA MeJP NA NA +C06949 Diazoxide C8H7ClN2O2S 229.9917 NA KEGG NA NA +MJ011274 Clidafidine C9H8Cl2N2O 230.001368 NA MeJP NA NA +C13844 DCEBIO C9H8Cl2N2O 230.0014 NA KEGG NA NA +C07034 Guanabenz C8H8Cl2N4 230.0126 NA KEGG NA NA +MJ011275 Guanabenz C8H8Cl2N4 230.012601 NA MeJP NA NA +JH089 Hippuric acid (-glycine : 2M+Na]+ NA 230.0161 10.55 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH089 Hippuric acid (-glycine : 2M+Na]+ NA 230.0161 10.55 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH089 Hippuric acid (-glycine : 2M+Na]+ NA 230.0161 10.55 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH089 Hippuric acid (-glycine : 2M+Na]+ NA 230.0161 10.55 Inhousejuil11 NA NA +HMDB00618 D-Ribulose 5-phosphate C5H11O8P 230.01915 http://www.hmdb.ca/metabolites/HMDB00618 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01548 D-Ribose 5-phosphate C5H11O8P 230.01915 http://www.hmdb.ca/metabolites/HMDB01548 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00618 D-Ribulose 5-phosphate C5H11O8P 230.01915 http://www.hmdb.ca/metabolites/HMDB00618 HMDB NA NA +HMDB00868 Xylulose 5-phosphate C5H11O8P 230.01915 http://www.hmdb.ca/metabolites/HMDB00868 HMDB NA NA +HMDB01489 Ribose 1-phosphate C5H11O8P 230.01915 http://www.hmdb.ca/metabolites/HMDB01489 HMDB NA NA +HMDB01548 D-Ribose 5-phosphate C5H11O8P 230.01915 http://www.hmdb.ca/metabolites/HMDB01548 HMDB NA NA +HMDB06534 D-Xylulose 1-phosphate C5H11O8P 230.01915 http://www.hmdb.ca/metabolites/HMDB06534 HMDB NA NA +HMDB00618 D-Ribulose 5-phosphate C5H11O8P 230.01915 http://www.hmdb.ca/metabolites/HMDB00618 PFEM_hmdb_metabocards_blood NA blood +HMDB01548 D-Ribose 5-phosphate C5H11O8P 230.01915 http://www.hmdb.ca/metabolites/HMDB01548 PFEM_hmdb_metabocards_blood NA blood +HMDB00618 D-Ribulose 5-phosphate C5H11O8P 230.01915 HMDB00618 PFEM_hmdb_metabocards_official NA NA +HMDB00868 Xylulose 5-phosphate C5H11O8P 230.01915 HMDB00868 PFEM_hmdb_metabocards_official NA NA +HMDB01489 Ribose 1-phosphate C5H11O8P 230.01915 HMDB01489 PFEM_hmdb_metabocards_official NA NA +HMDB01548 D-Ribose 5-phosphate C5H11O8P 230.01915 HMDB01548 PFEM_hmdb_metabocards_official NA NA +HMDB06534 D-Xylulose 1-phosphate C5H11O8P 230.01915 HMDB06534 PFEM_hmdb_metabocards_official NA NA +HMDB00618 D-Ribulose 5-phosphate C5H11O8P 230.01915 NA HMDB2010 NA NA +HMDB00868 Xylulose 5-phosphate C5H11O8P 230.01915 NA HMDB2010 NA NA +HMDB01489 Ribose 1-phosphate C5H11O8P 230.01915 NA HMDB2010 NA NA +HMDB01548 D-Ribose 5-phosphate C5H11O8P 230.01915 NA HMDB2010 NA NA +HMDB06534 D-Xylulose 1-phosphate C5H11O8P 230.01915 NA HMDB2010 NA NA +HMDB11734 D-Arabinose 5-phosphate C5H11O8P 230.01915 NA HMDB2010 NA NA +HMDB12195 Beta-L-arabinose 1-phosphate C5H11O8P 230.01915 NA HMDB2010 NA NA +MJ011276 D-Arabinose 5-phosphate C5H11O8P 230.019153 NA MeJP NA NA +MJ011277 D-Ribose 1-phosphate C5H11O8P 230.019153 NA MeJP NA NA +MJ011278 D-Ribose 5-phosphate C5H11O8P 230.019153 NA MeJP NA NA +MJ011279 D-Ribulose 5-phosphate C5H11O8P 230.019153 NA MeJP NA NA +MJ011280 D-Xylulose 5-phosphate C5H11O8P 230.019153 NA MeJP NA NA +MJ011281 L-Ribulose 5-phosphate C5H11O8P 230.019153 NA MeJP NA NA +MJ011282 L-Xylulose 5-phosphate C5H11O8P 230.019153 NA MeJP NA NA +MJ011283 alpha-D-Xylose 1-phosphate C5H11O8P 230.019153 NA MeJP NA NA +MetaCyc02133 β-L-arabinose 1-phosphate [β-L-arabinose 1-P;] C5H11O8P1 230.019154 NA metacyc NA NA +MetaCyc02134 ribose-1-phosphate [D-ribose-1-phosphate;α-D-ribose-1P;α-D-ribofuranose 1-phosphate;α-D-ribose-1-phosphate;] C5H11O8P1 230.019154 14075-00-4 metacyc NA NA +MetaCyc02135 D-ribulose-1-phosphate [D-ribulose-1-P;] C5H11O8P1 230.019154 NA metacyc NA NA +MetaCyc02136 α-D-xylose 1-phosphate [] C5H11O8P1 230.019154 NA metacyc NA NA +MetaCyc02137 D-ribulose-5-phosphate [ribulose-5P;D-ribulose-5-P;ribulose-5-P;ribulose-5-phosphate;] C5H11O8P1 230.019154 4151-19-3 metacyc NA NA +MetaCyc02138 L-ribulose-5-phosphate [L-ribulose-5-P;ribulose-5-phosphate;ribulose-5-P;] C5H11O8P1 230.019154 2922-69-2 metacyc NA NA +MetaCyc02139 D-xylulose-5-phosphate [xylulose-5-phosphate;xylulose-phosphate;D-xylulose-5-P;xylulose-P;] C5H11O8P1 230.019154 60802-29-1 metacyc NA NA +MetaCyc02140 D-ribose-5-phosphate [D-ribose-5-phosphate;D-ribose-5-phosphoric acid;ribose-5-phosphoric acid;ribose-5P;D-ribose-5-P;ribose-5-P;ribose-5-phosphate;α-D-ribose-5-phosphate;] C5H11O8P1 230.019154 4300-28-1 metacyc NA NA +MetaCyc02141 L-xylulose-5-phosphate [L-xylulose-5-P;xylulose-5-phosphate;xylulose-5-P;] C5H11O8P1 230.019154 NA metacyc NA NA +MetaCyc02142 D-arabinose 5-phosphate [D-arabinose-5-P;arabinose-5P;D-A-5-P;arabinose 5-phosphate;arabinose-5-P;] C5H11O8P1 230.019154 13137-52-5 metacyc NA NA +C00117 D-Ribose 5-phosphate C5H11O8P 230.0192 NA KEGG NA NA +C00199 D-Ribulose 5-phosphate C5H11O8P 230.0192 NA KEGG NA NA +C00231 D-Xylulose 5-phosphate C5H11O8P 230.0192 NA KEGG NA NA +C00620 alpha-D-Ribose 1-phosphate C5H11O8P 230.0192 NA KEGG NA NA +C00621 Dolichyl diphosphate C20H38O7P2 230.0192 NA KEGG NA NA +C01101 L-Ribulose 5-phosphate C5H11O8P 230.0192 NA KEGG NA NA +C01112 D-Arabinose 5-phosphate C5H11O8P 230.0192 NA KEGG NA NA +C03291 L-Xylulose 5-phosphate C5H11O8P 230.0192 NA KEGG NA NA +C03736 alpha-D-Ribose 5-phosphate C5H11O8P 230.0192 NA KEGG NA NA +C03737 alpha-D-Xylose 1-phosphate C5H11O8P 230.0192 NA KEGG NA NA +C03906 beta-L-Arabinose 1-phosphate C5H11O8P 230.0192 NA KEGG NA NA +C06238 L-Arabinose 1-phosphate C5H11O8P 230.0192 NA KEGG NA NA +C06239 alpha-L-Arabinose 1-phosphate C5H11O8P 230.0192 NA KEGG NA NA +C06441 L-Xylulose 1-phosphate C5H11O8P 230.0192 NA KEGG NA NA +C06814 D-Xylose-5-phosphate C5H11O8P 230.0192 NA KEGG NA NA +C06816 Transferred to D00224 C5H11O8P 230.0192 NA KEGG NA NA +MJ011284 5-Formyl-9-hydroxy-2H-furo[3,2-g][1]benzopyran-2-one C12H6O5 230.021523 NA MeJP NA NA +MJ011285 3-(3-Buten-1-ynyl)-6-(3-penten-1-ynyl)-1,2-dithiin C13H10S2 230.022391 NA MeJP NA NA +MJ011286 5,10,12-Tridecadiene-2,8-diyne-4,7-thione C13H10S2 230.022391 NA MeJP NA NA +MJ011287 5-(1-Propenyl)-5'-vinyl-2,2'-bithiophene; 1''',2'''-Didehydro C13H10S2 230.022391 NA MeJP NA NA +MJ011288 5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene; Deoxy C13H10S2 230.022391 NA MeJP NA NA +MJ011289 5-Chloro-1-hydroxy-4-oxo-2-(1-propenyl)-2-cyclopentene-1-carboxylic acid, Me ester C10H11ClO4 230.034586 NA MeJP NA NA +CJneg0431 Isoferulic acid [(M+Cl)]- C10H10ClO4 230.035125 C18rt(min)=6.64 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0431 Isoferulic acid [(M+Cl)]- C10H10ClO4 230.035125 C18rt(min)=6.64 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ011290 7-Amino-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid C8H10N2O4S 230.036127 NA MeJP NA NA +EUR306 glutathione oxidized F8 F8 230.036175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR306 Gluthation oxyde F8 NA 230.036175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR306 glutathione oxidized F8 F8 230.036175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR306 Gluthation oxyde F8 NA 230.036175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR306 glutathione oxidized F8 F8 230.036175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR306 Gluthation oxyde F8 NA 230.036175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR306 glutathione oxidized F8 F8 230.036175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR306 glutathione oxidized F8 F8 230.036175 standards wishlist analysés sur QTOF HMDB NA NA +EUR306 glutathione oxidized F8 F8 230.036175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR306 Gluthation oxyde F8 NA 230.036175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR306 glutathione oxidized F8 F8 230.036175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR306 glutathione oxidized F8 F8 230.036175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJneg0432 Quinic acid [(M+Cl)]- (37Cl) C7H12Cl037ClO6 230.037625 C18rt(min)=0.89 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0432 Quinic acid [(M+Cl)]- (37Cl) C7H12Cl037ClO6 230.037625 C18rt(min)=0.89 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ011291 4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol; 2-Hydroxy C13H10O2S 230.04015 NA MeJP NA NA +MJ011292 6-[5-(1-Propynyl)-2-thienyl]-3,5-hexadiyne-1,2-diol C13H10O2S 230.04015 NA MeJP NA NA +MJ011293 3-(2-Thiazolyl)-1H-indole; 6-Methoxy C12H10N2OS 230.051383 NA MeJP NA NA +MJ011294 3-(4,5-Dihydro-2-thiazolecarbonyl)-1H-indole C12H10N2OS 230.051383 NA MeJP NA NA +C06356 2,4,6-Trihydroxybenzophenone C13H10O4 230.0579 NA KEGG NA NA +C06357 Alkyl cinnamate C9H7O2R 230.0579 NA KEGG NA NA +C07718 2-Hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene)-but-2-enoic acid C13H10O4 230.0579 NA KEGG NA NA +C07725 2-Hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene)but-2-enoic acid C13H10O4 230.0579 NA KEGG NA NA +C09049 Visnagin C13H10O4 230.0579 NA KEGG NA NA +C12085 Bis-noryangonin C13H10O4 230.0579 NA KEGG NA NA +C16263 2,3-Dihydroxy-2'-carboxybiphenyl C13H10O4 230.0579 NA KEGG NA NA +MJ011295 2-Hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene)-but-2-enoic acid C13H10O4 230.057908 NA MeJP NA NA +MJ011296 2-Hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene)but-2-enoic acid C13H10O4 230.057908 NA MeJP NA NA +MJ011297 1,4-Azulenedicarboxylic acid; 1-Me ester C13H10O4 230.057908 NA MeJP NA NA +MJ011298 2',4'-Dihydroxy-2-biphenylcarboxylic acid C13H10O4 230.057908 NA MeJP NA NA +MJ011299 3,4-Dihydro-1-hydroxy-1H-naphtho[2,3-c]pyran-5,10-dione C13H10O4 230.057908 NA MeJP NA NA +MJ011300 3-Acetyl-4-hydroxy-6-phenyl-2H-pyran-2-one C13H10O4 230.057908 NA MeJP NA NA +MJ011301 5-Hydroxy-3-methylnaphtho[2,3-c]furan-4(9H)-one; 8-Hydroxy C13H10O4 230.057908 NA MeJP NA NA +MJ011302 6-Acetyl-5-hydroxy-7-methyl-1,4-naphthoquinone C13H10O4 230.057908 NA MeJP NA NA +MJ011303 6-[2-(4-Hydroxyphenyl)ethenyl]-2H-pyran-2-one, 3'-Hydroxy C13H10O4 230.057908 NA MeJP NA NA +MJ011304 Coniochaetone B, 1-Ketone C13H10O4 230.057908 NA MeJP NA NA +MJ011305 Coriandrin C13H10O4 230.057908 NA MeJP NA NA +MJ011306 Mycosinol; 8,9-Epoxide C13H10O4 230.057908 NA MeJP NA NA +MJ011307 Nocardione A C13H10O4 230.057908 NA MeJP NA NA +MJ011308 Psychorubrin C13H10O4 230.057908 NA MeJP NA NA +MJ011309 Syriacusin C C13H10O4 230.057908 NA MeJP NA NA +MJ011310 Visnagin C13H10O4 230.057908 NA MeJP NA NA +MJ011311 Wyeronic acid C13H10O4 230.057908 NA MeJP NA NA +MJ011312 Yangonin; Di-O-de-Me C13H10O4 230.057908 NA MeJP NA NA +MetaCyc02143 bis-noryangonin [BNY;] C13H10O4 230.057909 NA metacyc NA NA +MetaCyc02144 2,4,6-trihydroxybenzophenone [] C13H10O4 230.057909 NA metacyc NA NA +MetaCyc02145 3-2-carboxyphenylcatechol [CPC;] C13H10O4 230.057909 NA metacyc NA NA +MetaCyc02146 2-hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene) but-2-enoate [2-Hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene) but-2-enoic acid;] C13H10O4 230.057909 NA metacyc NA NA +MetaCyc02147 2-hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene) but-2-enoate [2-Hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene) but-2-enoic acid;] C13H10O4 230.057909 NA metacyc NA NA +C11800 Thiaburimamide C8H14N4S2 230.066 NA KEGG NA NA +MJ011313 Fluminorex C10H9F3N2O 230.066697 NA MeJP NA NA +MJ011314 2,5-Diamino-1,4-benzoquinone; N-(2-Hydroxyphenyl) C12H10N2O3 230.069142 NA MeJP NA NA +C11732 Diethyl phenyl phosphate C10H15O4P 230.0708 NA KEGG NA NA +MJ011315 Asperlinol C10H14O6 230.079038 NA MeJP NA NA +MJ011316 Riddellic acid C10H14O6 230.079038 NA MeJP NA NA +MJ011317 1H-Imidazo[4,5-f]quinazoline-7,9(6H,8H)-dione; 6,8-Di-Me C11H10N4O2 230.080375 NA MeJP NA NA +MJ011318 Metizoline C13H14N2S 230.087769 NA MeJP NA NA +HMDB02335 Aspartyl-L-proline C9H14N2O5 230.09027 http://www.hmdb.ca/metabolites/HMDB02335 HMDB NA NA +HMDB02335 Aspartyl-L-proline C9H14N2O5 230.09027 HMDB02335 PFEM_hmdb_metabocards_official NA NA +HMDB02335 Aspartyl-L-proline C9H14N2O5 230.090271 NA HMDB2010 NA NA +MJ011319 1-Aminocyclopropanecarboxylic acid; N-(L-?-Glutamyl) C9H14N2O5 230.090271 NA MeJP NA NA +MJ011320 N-Glutamyl-(3-amino-2-methylenepropanoic acid) C9H14N2O5 230.090271 NA MeJP NA NA +MJ011321 ?-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid C9H14N2O5 230.090271 NA MeJP NA NA +PJ000063 PD C9H14N2O5 230.0903 NA PeJP NA NA +HMDB01923 Naproxen C14H14O3 230.09428 http://www.hmdb.ca/metabolites/HMDB01923 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01923 Naproxen C14H14O3 230.09428 http://www.hmdb.ca/metabolites/HMDB01923 HMDB NA NA +HMDB01923 Naproxen C14H14O3 230.09428 http://www.hmdb.ca/metabolites/HMDB01923 PFEM_hmdb_metabocards_blood NA blood +HMDB01923 Naproxen C14H14O3 230.09428 HMDB01923 PFEM_hmdb_metabocards_official NA NA +MJ011322 1-(2,3-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane C14H14O3 230.094294 NA MeJP NA NA +MJ011323 1-(2,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane C14H14O3 230.094294 NA MeJP NA NA +MJ011324 1-(3,4-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane C14H14O3 230.094294 NA MeJP NA NA +MJ011325 1-(3,5-Dihydroxyphenyl)-2-(2-hydroxyphenyl)ethane C14H14O3 230.094294 NA MeJP NA NA +MJ011326 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane C14H14O3 230.094294 NA MeJP NA NA +MJ011327 14-Norfuranoeudesm-5(10)-ene-6,9-dione; 4?-form C14H14O3 230.094294 NA MeJP NA NA +MJ011328 2,3',5'-Trihydroxy-6-methylbiphenyl; 3'-Me ether C14H14O3 230.094294 NA MeJP NA NA +MJ011329 2-(2,4-Hexadiynoyl)-1,6-dioxaspiro[4,5]dec-3-ene C14H14O3 230.094294 NA MeJP NA NA +MJ011330 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene, Deoxy, 3,4-epoxy C14H14O3 230.094294 NA MeJP NA NA +MJ011331 2-Acetyl-3-methyl-1,8-naphthalenediol; 8-Me ether C14H14O3 230.094294 NA MeJP NA NA +MJ011332 3,3'-Oxybis[5-methylphenol] C14H14O3 230.094294 NA MeJP NA NA +MJ011333 3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-2-propenoic acid C14H14O3 230.094294 NA MeJP NA NA +MJ011334 3-(2,3-Dihydro-2-isopropenyl-5-benzofuranyl)-2-propenoic acid C14H14O3 230.094294 NA MeJP NA NA +MJ011335 3-Hydroxy-5-methyl-1-naphthalenecarboxylic acid; Me ether, Me ester C14H14O3 230.094294 NA MeJP NA NA +MJ011336 4-Hydroxymethyl-1-azulenecarboxylic acid; Me ether, Me ester C14H14O3 230.094294 NA MeJP NA NA +MJ011337 4-Methoxy-6-(2-phenylethyl)-2H-pyran-2-one C14H14O3 230.094294 NA MeJP NA NA +MJ011338 5-Acetyl-6-hydroxy-2-isopropenylbenzofuran; Me ether C14H14O3 230.094294 NA MeJP NA NA +MJ011339 7-Hydroxy-6-prenylcoumarin C14H14O3 230.094294 NA MeJP NA NA +MJ011340 7-[(3-Methyl-2-butenyl)oxy]-2H-1-benzopyran-2-one C14H14O3 230.094294 NA MeJP NA NA +MJ011341 8-Hydroxy-3-isopropyl-7-methyl-1,2-naphthoquinone C14H14O3 230.094294 NA MeJP NA NA +MJ011342 9-(Tetrahydropyran-2-yl)-2,8-nonadiene-4,6-diyn-1-ol, 8,9-Epoxide, aldehyde C14H14O3 230.094294 NA MeJP NA NA +MJ011343 Angustifolin C14H14O3 230.094294 NA MeJP NA NA +MJ011344 Bis(4-hydroxybenzyl) ether C14H14O3 230.094294 NA MeJP NA NA +MJ011345 Dendranthemenol C14H14O3 230.094294 NA MeJP NA NA +MJ011346 Eucalyptene C14H14O3 230.094294 NA MeJP NA NA +MJ011347 Hibiscoquinone B; 10-Deoxy C14H14O3 230.094294 NA MeJP NA NA +MJ011348 Kawain C14H14O3 230.094294 NA MeJP NA NA +MJ011349 Lexofenac C14H14O3 230.094294 NA MeJP NA NA +MJ011350 Naproxen C14H14O3 230.094294 NA MeJP NA NA +MJ011351 Osthenol C14H14O3 230.094294 NA MeJP NA NA +MJ011352 Platyphyllide; 1-Hydroxy C14H14O3 230.094294 NA MeJP NA NA +MJ011353 Platyphyllide; 2-Hydroxy C14H14O3 230.094294 NA MeJP NA NA +MJ011354 Pondaplin C14H14O3 230.094294 NA MeJP NA NA +MJ011355 Senoxepin C14H14O3 230.094294 NA MeJP NA NA +MJ011356 Xanthyletin; 1',2'-Dihydro C14H14O3 230.094294 NA MeJP NA NA +HMDB01923 Naproxen C14H14O3 230.094299 NA HMDB2010 NA NA +C01517 Naproxen C14H14O3 230.0943 NA KEGG NA NA +C08762 6-O-Methyleuparin C14H14O3 230.0943 NA KEGG NA NA +C09918 Aucuparin C14H14O3 230.0943 NA KEGG NA NA +C09947 Kawain C14H14O3 230.0943 NA KEGG NA NA +C10253 Demethylbatatasin IV C14H14O3 230.0943 NA KEGG NA NA +C10255 Dihydroresveratrol C14H14O3 230.0943 NA KEGG NA NA +C11492 NOPM C14H14O3 230.0943 NA KEGG NA NA +C18080 Osthenol C14H14O3 230.0943 NA KEGG NA NA +C18083 Demethylsuberosin C14H14O3 230.0943 NA KEGG NA NA +C05570 Ergothioneine C9H16N3O2S 230.0963 NA KEGG NA NA +MJ011357 Ergothioneine C9H16N3O2S 230.096322 NA MeJP NA NA +MJ011358 1,2,3,4-Tetrahydro-1-methyl-?-carboline-3-carboxylic acid C13H14N2O2 230.105527 NA MeJP NA NA +MJ011359 Batoprazine C13H14N2O2 230.105527 NA MeJP NA NA +MJ011360 Harmalicine C13H14N2O2 230.105527 NA MeJP NA NA +MJ011361 Metomidate C13H14N2O2 230.105527 NA MeJP NA NA +MJ011362 Naprodoxime C13H14N2O2 230.105527 NA MeJP NA NA +MJ011363 Soretolide C13H14N2O2 230.105527 NA MeJP NA NA +MJ011364 2-(6-Hydroxyhexyl)-3-methylenebutanedioic acid C11H18O5 230.115423 NA MeJP NA NA +MJ011365 6-(1,2-Dihydroxypentyl)-5,6-dihydro-4-methoxy-2H-pyran-2-one C11H18O5 230.115423 NA MeJP NA NA +MJ011366 Dihydro-4-hydroxy-5-(1-hydroxy-4-methyl-2-pentenyl)-3-methoxy-2(3H)-furanone C11H18O5 230.115423 NA MeJP NA NA +2871 opioid lipotropin fr:88-91 KKGE 230.1255 MH2+ Inhouse_peptide NA peptide +MJ011367 Terramide C C10H18N2O4 230.126657 NA MeJP NA NA +MJ011368 Sardomozide C11H14N6 230.127994 NA MeJP NA NA +MJ011369 1(10),2,4(15)-Guaiatrien-12,6-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011370 1(10),2,4-Guaiatrien-12,6-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011371 1(10),2,4-Guaiatrien-12,8-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011372 1(10),3,11(13)-Guaiatrien-12,6-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011373 1(10),3,7(11)-Guaiatrien-12,8-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011374 1(10),4(15),5,11(13)-Germacratetraen-12,8-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011375 1(10),4,11-Guaiatriene-3,9-dione C15H18O2 230.130679 NA MeJP NA NA +MJ011376 1(10),7(11),8-Eremophilatrien-12,8-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011377 1,3,11(13)-Eudesmatrien-12,6-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011378 1,3,5-Guaiatrien-12,8-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011379 1,4(15),11(13)-Eudesmatrien-12,8-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011380 1,4(15),7(11)-Eudesmatrien-12,8-olide; 8?-form C15H18O2 230.130679 NA MeJP NA NA +MJ011381 1,7(11),9-Eremophilatriene-3,8-dione C15H18O2 230.130679 NA MeJP NA NA +MJ011382 1,9,14-Pentadecatriene-4,6-diyne-3,8-diol C15H18O2 230.130679 NA MeJP NA NA +MJ011383 1,9-Epoxy-1,3,5,10-bisabolatetraen-12-al C15H18O2 230.130679 NA MeJP NA NA +MJ011384 1-Hydroxy-3,7(14),10-bisabolatrien-8-yn-15-al C15H18O2 230.130679 NA MeJP NA NA +MJ011385 1-Hydroxy-9,14-pentadecadiene-4,6-diyn-3-one C15H18O2 230.130679 NA MeJP NA NA +MJ011386 10-Hydroxy-2,8-pentadecadiene-4,6-diynal C15H18O2 230.130679 NA MeJP NA NA +MJ011387 12-Hydroxy-1,3,5,10-bisabolatetraen-15-al; 12-Aldehyde C15H18O2 230.130679 NA MeJP NA NA +MJ011388 13-Deoxyisoonoceriolide C15H18O2 230.130679 NA MeJP NA NA +MJ011389 2(9),5,7-Lactaratrien-14,5-olide; 3?-form C15H18O2 230.130679 NA MeJP NA NA +MJ011390 2,5-Dimethyl-8-isopropyl-1,4-naphthoquinone; 3,4-Dihydro C15H18O2 230.130679 NA MeJP NA NA +MJ011391 2,6,10-Farnesatrien-8-yn-1,15-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011392 2,6,8-Decatrien-4-yn-1-ol, Angeloyl C15H18O2 230.130679 NA MeJP NA NA +MJ011393 2,6,8-Lactaratrien-5,14-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011394 2,7-Cadalenediol C15H18O2 230.130679 NA MeJP NA NA +MJ011395 2,8-Decadiene-4,6-diyn-1-ol, 3-Methylbutanoyl ester C15H18O2 230.130679 NA MeJP NA NA +MJ011396 2-Decene-4,6-diyn-1-ol, Angeloyl C15H18O2 230.130679 NA MeJP NA NA +MJ011397 3,10(14),11(13)-Guaiatrien-12,6-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011398 3,10(14),11(13)-Guaiatrien-12,8-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011399 3,5,11(13)-Eudesmatrien-12,8-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011400 3,6,10-Farnesatrien-8-yn-1,15-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011401 3,6,10-Farnesatrien-8-yne-1,15-dial C15H18O2 230.130679 NA MeJP NA NA +MJ011402 3,7(11),10(14)-Guaiatrien-12,6-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011403 3,9,11(13)-Guaiatrien-12,6-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011404 3-Oxo-1(10),4,11-guaiatrien-14-al C15H18O2 230.130679 NA MeJP NA NA +MJ011405 3-Oxo-1(10),4-aromadendradien-14-al C15H18O2 230.130679 NA MeJP NA NA +MJ011406 4(15),10(14),11(13)-Guaiatrien-12,6-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011407 4(15),10(14),11(13)-Guaiatrien-12,8-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011408 4(15),6,8-Hirsutatriene-5,10-dione; 4?,15-Dihydro C15H18O2 230.130679 NA MeJP NA NA +MJ011409 4(15),7(11)-Eudesmadien-12,8-olide, 8,9-Didehydro C15H18O2 230.130679 NA MeJP NA NA +MJ011410 4(15),9,11(13)-Guaiatrien-12,6-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011411 4,5-Secofuranoeremophila-3,5,9-trien-9-ol C15H18O2 230.130679 NA MeJP NA NA +MJ011412 4,5-Secofuranoeremophila-5,9-dien-4-one C15H18O2 230.130679 NA MeJP NA NA +MJ011413 4,6,11(13)-Eudesmatrien-12,8-olide C15H18O2 230.130679 NA MeJP NA NA +MJ011414 4,7-Isocedradiene-14,15-dial C15H18O2 230.130679 NA MeJP NA NA +MJ011415 4-Hydroxy-2-isopropyl-4,7-dimethyl-1(4H)-naphthalenone C15H18O2 230.130679 NA MeJP NA NA +MJ011416 4-[2-(4-Methoxyphenyl)ethyl]-2-cyclohexen-1-one C15H18O2 230.130679 NA MeJP NA NA +MJ011417 5,11-Tridecadiene-7,9-diyn-4-ol; Ac C15H18O2 230.130679 NA MeJP NA NA +MJ011418 5,5-Dimethyl-1-phenyl-6-heptene-1,3-dione C15H18O2 230.130679 NA MeJP NA NA +MJ011419 5,7,13-Pentadecatriene-9,11-diyne-1,3-diol C15H18O2 230.130679 NA MeJP NA NA +MJ011420 6,11-Epoxy-5,10-pinguisadien-3-one; 4,15-Didehydro C15H18O2 230.130679 NA MeJP NA NA +MJ011421 6,12-Epoxy-6,9,11-pseudoguaiatrien-8-one C15H18O2 230.130679 NA MeJP NA NA +MJ011422 6,8,10-Pentadecatriynoic acid C15H18O2 230.130679 NA MeJP NA NA +MJ011423 8,10,14-Pentadecatriene-4,6-diyne-3,12-diol C15H18O2 230.130679 NA MeJP NA NA +MJ011424 8,12-Epoxy-1(10),4,7,11-germacratetraen-6-one C15H18O2 230.130679 NA MeJP NA NA +MJ011425 8,12-Epoxy-1(10),4,7,11-germacratetraen-9-one C15H18O2 230.130679 NA MeJP NA NA +MJ011426 8,12-Epoxy-4(15),7,11-eudesmatrien-1-one C15H18O2 230.130679 NA MeJP NA NA +MJ011427 Aoifuranone C15H18O2 230.130679 NA MeJP NA NA +MJ011428 Botrydienal; 2,3-Didehydro C15H18O2 230.130679 NA MeJP NA NA +MJ011429 Cacalol C15H18O2 230.130679 NA MeJP NA NA +MJ011430 Catalponol C15H18O2 230.130679 NA MeJP NA NA +MJ011431 Cinalbicol; 1-Oxo C15H18O2 230.130679 NA MeJP NA NA +MJ011432 Cinariolide C15H18O2 230.130679 NA MeJP NA NA +MJ011433 Curzerenone C15H18O2 230.130679 NA MeJP NA NA +MJ011434 Emmotin G C15H18O2 230.130679 NA MeJP NA NA +MJ011435 Furanoeremophil-1(10)-en-3-ol, 3-Ketone C15H18O2 230.130679 NA MeJP NA NA +MJ011436 Furanoeremophil-1(10)-en-9-one C15H18O2 230.130679 NA MeJP NA NA +MJ011437 Furanoeremophil-1-en-3-one; 10?-form C15H18O2 230.130679 NA MeJP NA NA +MJ011438 Furanoeremophilan-1-one; 10à H-form, 9,10-Didehydro C15H18O2 230.130679 NA MeJP NA NA +MJ011439 Furanoeudesm-4-en-6-one C15H18O2 230.130679 NA MeJP NA NA +MJ011440 Furanoplagiochilal C15H18O2 230.130679 NA MeJP NA NA +MJ011441 Herbertenolide C15H18O2 230.130679 NA MeJP NA NA +MJ011442 Isocatalponol C15H18O2 230.130679 NA MeJP NA NA +MJ011443 Isocinariolide C15H18O2 230.130679 NA MeJP NA NA +MJ011444 Isomyodesmone; 10,11-Didehydro C15H18O2 230.130679 NA MeJP NA NA +MJ011445 Isoparvifolinone C15H18O2 230.130679 NA MeJP NA NA +MJ011446 Lasiosperman; 6E,7E-Didehydro C15H18O2 230.130679 NA MeJP NA NA +MJ011447 Laurequinone C15H18O2 230.130679 NA MeJP NA NA +MJ011448 Lindenene; 6?-Hydroxy C15H18O2 230.130679 NA MeJP NA NA +MJ011449 Longifolin C15H18O2 230.130679 NA MeJP NA NA +MJ011450 Meruliolactone C15H18O2 230.130679 NA MeJP NA NA +MJ011451 Myodesmone; 10,11-Didehydro C15H18O2 230.130679 NA MeJP NA NA +MJ011452 Nakafuran 8; 5-Oxo C15H18O2 230.130679 NA MeJP NA NA +MJ011453 Nootkatin; 2'',3''-Didehydro C15H18O2 230.130679 NA MeJP NA NA +MJ011454 Parvifolinone C15H18O2 230.130679 NA MeJP NA NA +MJ011455 Phymaspermone C15H18O2 230.130679 NA MeJP NA NA +MJ011456 Pinguisanin; 4,15-Didehydro C15H18O2 230.130679 NA MeJP NA NA +MJ011457 Secocrispiolide C15H18O2 230.130679 NA MeJP NA NA +MJ011458 Secoeurabicanal C15H18O2 230.130679 NA MeJP NA NA +MJ011459 Secoeurabicol C15H18O2 230.130679 NA MeJP NA NA +MJ011460 Shizukanolide C15H18O2 230.130679 NA MeJP NA NA +MJ011461 Spiroeuryolide C15H18O2 230.130679 NA MeJP NA NA +MJ011462 Tavacfuran C15H18O2 230.130679 NA MeJP NA NA +MJ011463 Tetriprofen C15H18O2 230.130679 NA MeJP NA NA +MJ011464 Verboccidentafuran; 2-Oxo C15H18O2 230.130679 NA MeJP NA NA +C09387 Dehydrocostus lactone C15H18O2 230.1307 NA KEGG NA NA +C09406 Eremanthin C15H18O2 230.1307 NA KEGG NA NA +C09658 Dehydromyodesmone C15H18O2 230.1307 NA KEGG NA NA +C15134 3-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone C15H18O2 230.1307 NA KEGG NA NA +C16943 Curzerenone C15H18O2 230.1307 NA KEGG NA NA +C16960 Furanodienone C15H18O2 230.1307 NA KEGG NA NA +C16988 Linderenol C15H18O2 230.1307 NA KEGG NA NA +C17913 Isodehydrocostus lactone C15H18O2 230.1307 NA KEGG NA NA +C10758 Camoensine C14H18N2O 230.1419 NA KEGG NA NA +MJ011465 1,2,3,4-Tetrahydro-6-hydroxy-?-carboline; O,N2,N9-Tri-Me C14H18N2O 230.141913 NA MeJP NA NA +MJ011466 1,2,3,4-Tetrahydro-6-methoxy-1-methyl-?-carboline; 2-Me C14H18N2O 230.141913 NA MeJP NA NA +MJ011467 3-(1-Methyl-4-piperidinyl)-1H-indol-5-ol C14H18N2O 230.141913 NA MeJP NA NA +MJ011468 Albine; 5,6-Didehydro C14H18N2O 230.141913 NA MeJP NA NA +MJ011469 Camoensine C14H18N2O 230.141913 NA MeJP NA NA +MJ011470 Cilutazoline C14H18N2O 230.141913 NA MeJP NA NA +MJ011471 Ibudilast C14H18N2O 230.141913 NA MeJP NA NA +MJ011472 Propyphenazone C14H18N2O 230.141913 NA MeJP NA NA +MJ011473 Tinctorine; N-De-Me C14H18N2O 230.141913 NA MeJP NA NA +C02678 Dodecanedioic acid C12H22O4 230.1518 NA KEGG NA NA +C14523 Diisopropyl adipate C12H22O4 230.1518 NA KEGG NA NA +MJ011474 4,11-Dihydroxy-2-dodecenoic acid C12H22O4 230.151809 NA MeJP NA NA +MJ011475 Dihydro-3-(1-hydroxyheptyl)-4-(hydroxymethyl)-2(3H)furanone C12H22O4 230.151809 NA MeJP NA NA +MJ011476 Dihydro-4-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)-2(3H)-furanone C12H22O4 230.151809 NA MeJP NA NA +MJ011477 Dihydro-4-(hydroxymethyl)-3-(1-hydroxy-5-methylhexyl)-2(3H)-furanone C12H22O4 230.151809 NA MeJP NA NA +MJ011478 Dodecanedioic acid C12H22O4 230.151809 NA MeJP NA NA +MJ011479 Talaromycin A C12H22O4 230.151809 NA MeJP NA NA +HMDB00623 Dodecanedioic acid C12H22O4 230.15181 http://www.hmdb.ca/metabolites/HMDB00623 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00623 Dodecanedioic acid C12H22O4 230.15181 http://www.hmdb.ca/metabolites/HMDB00623 HMDB NA NA +HMDB00623 Dodecanedioic acid C12H22O4 230.15181 http://www.hmdb.ca/metabolites/HMDB00623 PFEM_hmdb_metabocards_blood NA blood +HMDB00623 Dodecanedioic acid C12H22O4 230.15181 HMDB00623 PFEM_hmdb_metabocards_official NA NA +HMDB00623 Dodecanedioic acid C12H22O4 230.15181 NA HMDB2010 NA NA +8320 Glucose uptake stimulating peptide VL 230.152 NA ;SYN:(2S)-2-amino-4-(methylsulfanyl)butanoic acid; (S)-2-Amino-4-(methylthio)butanoate; (S)-2-Amino-4-(methylthio)butanoic acid; (S)-2-amino-4-(methylthio)-Butanoate; (S)-2-amino-4-(methylthio)-Butanoic acid; (S)-2-amino-4-(methylthio)butyric acid; (l)-methionine; (s)-(+)-methionine; (s)-methionine; 2-Amino-4-(methylthio)butyrate; 2-Amino-4-(methylthio)butyric acid; 2-Amino-4-methylthiobutanoic acid; A-amino-g-methylmercaptobutyrate; A-amino-g-methylmercaptobutyric acid; Acimethin; Alpha-amino-gamma-methylmercaptobutyric acid; Cymethion; G-methylthio-a-aminobutyrate; G-methylthio-a-aminobutyric acid; H-met-h; H-met-oh; L(-)-amino-alpha-amino-alpha-aminobutyric acid; L(-)-amino-gamma-methylthiobutyric acid; L-(-)-methionine; L-2-Amino-4methylthiobutyric acid; L-Methionine; L-a-amino-g-methylthiobutyrate; L-a-amino-g-methylthiobutyric acid; L-alpha-amino-gamma-methylmercaptobutyric acid; L-alpha-amino-gamma-methylthiobutyric acid; L-gamma-methylthio-alpha-aminobutyric acid; L-methionin; L-methioninum; Liquimeth; MET; Mepron; Methilanin; Methionine; Methioninum; Metionina; Neo-methidin; Poly-l-methionine; Polymethionine; S-methionine; S-methyl-l-homocysteine; Toxin WAR; alpha-amino-alpha-aminobutyric acid; gamma-methylthio-alpha-aminobutyric acid; l-2-Amino-4-(methylthio)butyric acid; alpha-amino-gamma-methylmercaptobutyrate; gamma-methylthio-alpha-aminobutyrate; L-alpha-amino-gamma-methylthiobutyrate; (2S)-2-amino-4-(methylsulfanyl)butanoate; 2-Amino-4-methylthiobutanoateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +8321 Glucose uptake stimulating peptide LV 230.152 NA ;SYN:(2S)-2-amino-4-(methylsulfanyl)butanoic acid; (S)-2-Amino-4-(methylthio)butanoate; (S)-2-Amino-4-(methylthio)butanoic acid; (S)-2-amino-4-(methylthio)-Butanoate; (S)-2-amino-4-(methylthio)-Butanoic acid; (S)-2-amino-4-(methylthio)butyric acid; (l)-methionine; (s)-(+)-methionine; (s)-methionine; 2-Amino-4-(methylthio)butyrate; 2-Amino-4-(methylthio)butyric acid; 2-Amino-4-methylthiobutanoic acid; A-amino-g-methylmercaptobutyrate; A-amino-g-methylmercaptobutyric acid; Acimethin; Alpha-amino-gamma-methylmercaptobutyric acid; Cymethion; G-methylthio-a-aminobutyrate; G-methylthio-a-aminobutyric acid; H-met-h; H-met-oh; L(-)-amino-alpha-amino-alpha-aminobutyric acid; L(-)-amino-gamma-methylthiobutyric acid; L-(-)-methionine; L-2-Amino-4methylthiobutyric acid; L-Methionine; L-a-amino-g-methylthiobutyrate; L-a-amino-g-methylthiobutyric acid; L-alpha-amino-gamma-methylmercaptobutyric acid; L-alpha-amino-gamma-methylthiobutyric acid; L-gamma-methylthio-alpha-aminobutyric acid; L-methionin; L-methioninum; Liquimeth; MET; Mepron; Methilanin; Methionine; Methioninum; Metionina; Neo-methidin; Poly-l-methionine; Polymethionine; S-methionine; S-methyl-l-homocysteine; Toxin WAR; alpha-amino-alpha-aminobutyric acid; gamma-methylthio-alpha-aminobutyric acid; l-2-Amino-4-(methylthio)butyric acid; alpha-amino-gamma-methylmercaptobutyrate; gamma-methylthio-alpha-aminobutyrate; L-alpha-amino-gamma-methylthiobutyrate; (2S)-2-amino-4-(methylsulfanyl)butanoate; 2-Amino-4-methylthiobutanoateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +8322 Glucose uptake stimulating peptide IV 230.152 Bile-acid glycine conjugates ;SYN:3a-Hydroxy-5b-cholanic acid glycine ester; 3a-Hydroxy-5b-cholanoylglycine; 3a-Hydroxy-N-(carboxymethyl)-5b-cholan-24-amide; Glycolithocholic acid; Lithocholic acid glycine conjugate; Lithocholic acid glycine conjugic acid; Lithocholylglycine; N-(3a-Hydroxy-5b-cholanoyl)glycine; N-(3a-hydroxy-5b-cholan-24-oyl)-Glycine; N-(carboxymethyl)-3a-hydroxy-5b-Cholan-24-amide; glycolithocholate; lithocholoyglycine; 3alpha-hydroxy-5beta-cholan-24-oic acid N-(carboxymethyl)amide; 3alpha-hydroxy-5beta-cholan-24-oate; 3alpha-hydroxy-5beta-cholan-24-oic acidH2Bile; Blood Inhouse_peptide NA peptide +MJ011480 3,4-Diaminobutanoic acid, N4-Tri-Me, N3-butanoyl C11H22N2O3 230.163042 NA MeJP NA NA +PJ000064 VL C11H22N2O3 230.1631 NA PeJP NA NA +MJ011481 13,15-Hexadecadiene-2,4-diyn-1-ol C16H22O 230.167065 NA MeJP NA NA +MJ011482 2,4-Bis(3-methyl-2-butenyl)phenol C16H22O 230.167065 NA MeJP NA NA +MJ011483 4-(1,1-Dimethyl-2-propenyl)-2-(3-methyl-2-butenyl)phenol C16H22O 230.167065 NA MeJP NA NA +MJ011484 6,8,12,14-Hexadecatetraen-10-yn-1-ol C16H22O 230.167065 NA MeJP NA NA +MJ011485 6-(1,1-Dimethyl-2-propenyl)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran C16H22O 230.167065 NA MeJP NA NA +MJ011486 7,14-Hexadecadiene-10,12-diyn-1-ol C16H22O 230.167065 NA MeJP NA NA +MJ011487 ?-Calacorene, 3-Methoxy C16H22O 230.167065 NA MeJP NA NA +MJ011488 Sporochnol C; 5'-Deoxy, ?5'-Isomer C16H22O 230.167065 NA MeJP NA NA +MJ011489 Aloperine; 11,12-Didehydro C15H22N2 230.178298 NA MeJP NA NA +MJ011490 Etaminile C15H22N2 230.178298 NA MeJP NA NA +MJ011491 1,11-Undecanediol; Mono-Ac C13H26O3 230.188194 NA MeJP NA NA +MJ011492 3,4-Epoxy-5-isopropyl-2-methyl-2,8-nonanediol C13H26O3 230.188194 NA MeJP NA NA +EUR005 4-hydroxy-non-2-enal-diethylacetal C13H26O3 230.188195 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR005 4-hydroxy-non-2-enal-diethylacetal C13H26O3 230.188195 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR005 4-hydroxy-non-2-enal-diethylacetal C13H26O3 230.188195 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR005 4-hydroxy-non-2-enal-diethylacetal C13H26O3 230.188195 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR005 4-hydroxy-non-2-enal-diethylacetal C13H26O3 230.188195 Wishlist HMDB NA NA +EUR005 4-hydroxy-non-2-enal-diethylacetal C13H26O3 230.188195 Wishlist Inhouse_PFEM NA NA +EUR005 4-hydroxy-non-2-enal-diethylacetal C13H26O3 230.188195 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR005 4-hydroxy-non-2-enal-diethylacetal C13H26O3 230.188195 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR005 4-hydroxy-non-2-enal-diethylacetal C13H26O3 230.1882 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR005 4-hydroxy-non-2-enal-diethylacetal C13H26O3 230.1882 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR005 4-hydroxy-non-2-enal-diethylacetal C13H26O3 230.1882 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR005 4-hydroxy-non-2-enal-diethylacetal C13H26O3 230.1882 Wishlist Inhousejuil11 NA NA +MJ011493 2,2,9,9-Tetramethyl-1,10-decanediol C14H30O2 230.22458 NA MeJP NA NA +MJ011494 Homospermine C12H30N4 230.247046 NA MeJP NA NA +8079 synthetic peptide RWT 230.6135 MH2+ Inhouse_peptide NA peptide +MJ011495 1,3,5-Trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione C3Cl3N3O3 230.900524 NA MeJP NA NA +MJ011496 5-Bromo-N,2-dihydroxybenzamide C7H6BrNO3 230.953105 NA MeJP NA NA +MJ011497 (Iminodiacetato)oxoperoxyvanadate(V)(1-) C4H5NO7V(-) 230.95839 NA MeJP NA NA +CJneg0433 Trigonelline (and isomer) [(M+Cl)+(NaCl)]- C7H7Cl2NNaO2 230.983525 C18rt(min)=0.93 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0433 Trigonelline (and isomer) [(M+Cl)+(NaCl)]- C7H7Cl2NNaO2 230.983525 C18rt(min)=0.93 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ011498 4-Diazo-3-(hydroxymethyl)phenol; 1-O-Sulfate C7H7N2O5S 231.007567 NA MeJP NA NA +C03624 N-Phosphohypotaurocyamine C3H10N3O5PS 231.0079 NA KEGG NA NA +C03625 N5-Acyl-L-ornithine ester C6H10N2O3R2 231.0079 NA KEGG NA NA +MJ011499 Sulfathiourea C7H9N3O2S2 231.013617 NA MeJP NA NA +MJ011500 4-[(2-Aminopropyl)seleno]phenol C9H13NOSe 231.016235 NA MeJP NA NA +PARAC018 Paracetamol sulfate NA 231.0238 RT6.3 PFEM_hmdb_metabocards_urine NA urine +PARAC018 Paracetamol sulfate NA 231.0238 RT6.3 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC018 Paracetamol sulfate NA 231.0238 RT6.3 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC018 Paracetamol sulfate NA 231.0238 RT6.3 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC018 Paracetamol sulfate NA 231.0238 RT6.3 HMDB NA NA +PARAC018 Paracetamol sulfate NA 231.0238 RT6.3 Inhouse_PFEM NA NA +PARAC018 Paracetamol sulfate NA 231.0238 RT6.3 PFEM_hmdb_metabocards_blood NA blood +PARAC018 Paracetamol sulfate NA 231.0238 RT6.3 PFEM_hmdb_metabocards_official NA NA +MJ011501 ?-Amino-4-phosphonobenzeneacetic acid C8H10NO5P 231.029658 NA MeJP NA NA +MJ011502 2-Amino-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoic acid C9H10ClNO4 231.029835 NA MeJP NA NA +CJneg0434 p-Hydroxyhippuric acid [(M+Cl)]- C9H9ClNO4 231.030425 C18rt(min)=4.85 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0435 ?-hydroxyhippuric acid [(M+Cl)]- C9H9ClNO4 231.030425 C18rt(min)=4.99 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0434 p-Hydroxyhippuric acid [(M+Cl)]- C9H9ClNO4 231.030425 C18rt(min)=4.85 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0435 ?-hydroxyhippuric acid [(M+Cl)]- C9H9ClNO4 231.030425 C18rt(min)=4.99 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ011503 Isoniazid; N2'-Methanesulfonyl C7H9N3O4S 231.031376 NA MeJP NA NA +MJ011504 2-Acetyl-3-amino-5-hydroxy-1,4-naphthoquinone C12H9NO4 231.053157 NA MeJP NA NA +MJ011505 3-Hydroxy-1,4-naphthoquinone-2-carboxylic acid; Me ether, amide C12H9NO4 231.053157 NA MeJP NA NA +MJ011506 Nitrafudam C11H9N3O3 231.064391 NA MeJP NA NA +MJ011507 Zyzzin; 5-Oxo analogue, 3,4-dihydro, 4-hydroxy C11H9N3O3 231.064391 NA MeJP NA NA +HMDB01180 N2-Succinyl-L-glutamic acid 5-semialdehyde C9H13NO6 231.07428 NA HMDB2010 NA NA +MJ011508 N-Acetyl-L-2-amino-6-oxopimelate C9H13NO6 231.074287 NA MeJP NA NA +MJ011509 N2-Succinyl-L-glutamate 5-semialdehyde C9H13NO6 231.074287 NA MeJP NA NA +MetaCyc02148 L-2-acetamido-6-oxoheptanedioate [N-acetyl-L-2-amino-6-oxo-pimelate;N-acetyl-2-amino-6-ketopimelate;] C9H13N1O6 231.074287 NA metacyc NA NA +MetaCyc02149 N2-succinyl-L-glutamate 5-semialdehyde [N2-succinylglutamic-semialdehyde;N2-succinylglutamate semialdehyde;N2-succinylglutamic semialdehyde;] C9H13N1O6 231.074287 NA metacyc NA NA +HMDB01180 N2-Succinyl-L-glutamic acid 5-semialdehyde C9H13NO6 231.0743 http://www.hmdb.ca/metabolites/HMDB01180 HMDB NA NA +C05539 N-Acetyl-L-2-amino-6-oxopimelate C9H13NO6 231.0743 NA KEGG NA NA +C05544 Protein N6-methyl-L-lysine C8H15N3O2R2 231.0743 NA KEGG NA NA +C05545 Protein N6,N6-dimethyl-L-lysine C9H17N3O2R2 231.0743 NA KEGG NA NA +C05546 Protein N6,N6,N6-trimethyl-L-lysine C10H20N3O2R2 231.0743 NA KEGG NA NA +C05932 N-Succinyl-L-glutamate 5-semialdehyde C9H13NO6 231.0743 NA KEGG NA NA +HMDB01180 N2-Succinyl-L-glutamic acid 5-semialdehyde C9H13NO6 231.0743 HMDB01180 PFEM_hmdb_metabocards_official NA NA +EUR232 Sialic acid F6 F6 231.078075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR232 Acide sialique F6 NA 231.078075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR232 Sialic acid F6 F6 231.078075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR232 Acide sialique F6 NA 231.078075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR232 Sialic acid F6 F6 231.078075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR232 Acide sialique F6 NA 231.078075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR232 Sialic acid F6 F6 231.078075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR232 Sialic acid F6 F6 231.078075 standards wishlist analysés sur QTOF HMDB NA NA +EUR232 Sialic acid F6 F6 231.078075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR232 Acide sialique F6 NA 231.078075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR232 Sialic acid F6 F6 231.078075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR232 Sialic acid F6 F6 231.078075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR312 Nicotinamide adenine di nucleotide phosphate F5 F5 231.078375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR312 Nicotinamide adenine di nucleotide phosphate F5 NA 231.078375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR312 Nicotinamide adenine di nucleotide phosphate F5 F5 231.078375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR312 Nicotinamide adenine di nucleotide phosphate F5 NA 231.078375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR312 Nicotinamide adenine di nucleotide phosphate F5 F5 231.078375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR312 Nicotinamide adenine di nucleotide phosphate F5 NA 231.078375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR312 Nicotinamide adenine di nucleotide phosphate F5 F5 231.078375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR312 Nicotinamide adénine di nucléotide phosphate F5 F5 231.078375 standards wishlist analysés sur QTOF HMDB NA NA +EUR312 Nicotinamide adenine di nucleotide phosphate F5 F5 231.078375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR312 Nicotinamide adenine di nucleotide phosphate F5 NA 231.078375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR312 Nicotinamide adenine di nucleotide phosphate F5 F5 231.078375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR312 Nicotinamide adenine di nucleotide phosphate F5 F5 231.078375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ011510 Flumexadol C11H12F3NO 231.087098 NA MeJP NA NA +C06444 Benzoyldehydro-2,3-dihydroxy-benzone C13H13NO3 231.0895 NA KEGG NA NA +MJ011511 2-Hydroxy-1-(1H-indol-3-yl)-1,4-pentanedione C13H13NO3 231.089543 NA MeJP NA NA +MJ011512 4-Hydroxy-2-methylquinoline; NH-form, N-Acetoxymethyl C13H13NO3 231.089543 NA MeJP NA NA +MJ011513 5,6-Dihydro-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-2(1H)-pyridinone C13H13NO3 231.089543 NA MeJP NA NA +MJ011514 Anthosamine A C13H13NO3 231.089543 NA MeJP NA NA +MJ011515 Isocarboxazid C12H13N3O2 231.100776 NA MeJP NA NA +MJ011516 Preclathridine A C12H13N3O2 231.100776 NA MeJP NA NA +MJ011517 Tri-1-aziridinyl-1,4-benzoquinone C12H13N3O2 231.100776 NA MeJP NA NA +HMDB00726 Isovalerylglutamic acid C10H17NO5 231.11067 http://www.hmdb.ca/metabolites/HMDB00726 HMDB NA NA +HMDB00953 Suberylglycine C10H17NO5 231.11067 http://www.hmdb.ca/metabolites/HMDB00953 HMDB NA NA +HMDB00726 Isovalerylglutamic acid C10H17NO5 231.11067 HMDB00726 PFEM_hmdb_metabocards_official NA NA +HMDB00953 Suberylglycine C10H17NO5 231.11067 HMDB00953 PFEM_hmdb_metabocards_official NA NA +HMDB00726 Isovalerylglutamic acid C10H17NO5 231.110672 NA HMDB2010 NA NA +HMDB00953 Suberylglycine C10H17NO5 231.110672 NA HMDB2010 NA NA +MJ011518 1-Isothiocyanato-9-(methylthio)nonane C11H21NS2 231.111541 NA MeJP NA NA +MJ011519 Oroidin; 2,3-Didebromo C11H13N5O 231.11201 NA MeJP NA NA +PJ000065 VN C9H17N3O4 231.1219 NA PeJP NA NA +7603 ACE inhibitor GR 231.122 antioxidative Inhouse_peptide NA peptide +MJ011520 Fenfluramine C12H16F3N 231.123484 NA MeJP NA NA +C06996 Fenfluramine C12H16F3N 231.1235 NA KEGG NA NA +C10703 Leiokinine A C14H17NO2 231.1259 NA KEGG NA NA +C10918 Indeloxazine C14H17NO2 231.1259 NA KEGG NA NA +MJ011521 1-Azabicyclo[2.2.2]octan-3-ol, Benzoyl C14H17NO2 231.125928 NA MeJP NA NA +MJ011522 2-Hydroxy-1-(1H-indol-3-yl)-4-methyl-3-pentanone C14H17NO2 231.125928 NA MeJP NA NA +MJ011523 2-Methyl-4-(3-indolyl)-1-butanol, Carboxylic acid, Me ester C14H17NO2 231.125928 NA MeJP NA NA +MJ011524 3-(3-Hydroxyphenyl)-2-propenoic acid, Me ether, pyrrolidide C14H17NO2 231.125928 NA MeJP NA NA +MJ011525 3-Methoxy-1-methyl-2-propyl-4(1H)-quinolinone C14H17NO2 231.125928 NA MeJP NA NA +MJ011526 8-Azabicyclo[3.2.1]octan-3-ol, O-Benzoyl C14H17NO2 231.125928 NA MeJP NA NA +MJ011527 8-Azabicyclo[3.2.1]octan-3-ol, N-Benzoyl C14H17NO2 231.125928 NA MeJP NA NA +MJ011528 Indeloxazine C14H17NO2 231.125928 NA MeJP NA NA +PJ000066 GR C8H17N5O3 231.1332 NA PeJP NA NA +MJ011529 3-(2-Aminoethyl)-N-methyl-1H-indole-5-acetamide C13H17N3O 231.137162 NA MeJP NA NA +MJ011530 Aminophenazone C13H17N3O 231.137162 NA MeJP NA NA +C07539 Aminopyrine C13H17N3O 231.1372 NA KEGG NA NA +CJpos0595 Butyrylcarnitine [(M+H)]+ C11H22NO4 231.146475 C18rt(min)=4.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0595 Butyrylcarnitine [(M+H)]+ C11H22NO4 231.146475 C18rt(min)=4.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +HMDB02013 Butyrylcarnitine C11H21NO4 231.14706 http://www.hmdb.ca/metabolites/HMDB02013 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00736 Isobutyryl-L-carnitine C11H21NO4 231.14706 http://www.hmdb.ca/metabolites/HMDB00736 HMDB NA NA +HMDB02013 Butyrylcarnitine C11H21NO4 231.14706 http://www.hmdb.ca/metabolites/HMDB02013 HMDB NA NA +HMDB00736 Isobutyryl-L-carnitine C11H21NO4 231.14706 Dipeptides ;SYN:Histidyl-proline-diketopiperazine; Histidyl-proline diketopiperazine; Cyclo(his-pro); Cyclo(histidyl-prolyl); His-pro-DKPH2Blood Inhouse_peptide NA peptide +HMDB02013 Butyrylcarnitine C11H21NO4 231.14706 NA ;SYN:(2R)-2-amino-3-hydroxypropanoate; (2R)-2-amino-3-hydroxypropanoic acid; (R)-2-amino-3-hydroxypropanoate; (R)-2-amino-3-hydroxypropanoic acid; D-Serin; DL-Serine; DSN; Serine D-formH2Blood; Cerebrospinal Fluid Inhouse_peptide NA peptide +HMDB02013 Butyrylcarnitine C11H21NO4 231.14706 http://www.hmdb.ca/metabolites/HMDB02013 PFEM_hmdb_metabocards_blood NA blood +HMDB00736 Isobutyryl-L-carnitine C11H21NO4 231.14706 HMDB00736 PFEM_hmdb_metabocards_official NA NA +HMDB02013 Butyrylcarnitine C11H21NO4 231.14706 HMDB02013 PFEM_hmdb_metabocards_official NA NA +HMDB00736 Isobutyryl-L-carnitine C11H21NO4 231.147064 NA HMDB2010 NA NA +HMDB02013 Butyrylcarnitine C11H21NO4 231.147064 NA HMDB2010 NA NA +C02862 O-Butanoylcarnitine C11H21NO4 231.1471 NA KEGG NA NA +C02863 O-D-Mannosylprotein C10H16N2O8R2 231.1471 NA KEGG NA NA +C04301 N(alpha)-t-Butoxycarbonyl-L-leucine C11H21NO4 231.1471 NA KEGG NA NA +MJ011531 Bumepidil C12H17N5 231.148395 NA MeJP NA NA +MJ011532 N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine C12H17N5 231.148395 NA MeJP NA NA +HMDB01959 gamma-Aminobutyryl-lysine C10H21N3O3 231.15829 http://www.hmdb.ca/metabolites/HMDB01959 HMDB NA NA +HMDB01959 gamma-Aminobutyryl-lysine C10H21N3O3 231.15829 HMDB01959 PFEM_hmdb_metabocards_official NA NA +MJ011533 N?-Valylornithine; L-L-form C10H21N3O3 231.158291 NA MeJP NA NA +HMDB01959 Gamma-Aminobutyryl-lysine C10H21N3O3 231.158295 NA HMDB2010 NA NA +C11789 Metazocine C15H21NO 231.1623 NA KEGG NA NA +MJ011534 2,4,6-Decatrienoic acid dehydropiperidide C15H21NO 231.162314 NA MeJP NA NA +MJ011535 2-Decene-4,6-diynoic acid, 2-Methylpropylamide, N-Me C15H21NO 231.162314 NA MeJP NA NA +MJ011536 2-Undecene-8,10-diynoic acid, 2-Methylpropylamide C15H21NO 231.162314 NA MeJP NA NA +MJ011537 Darlinine C15H21NO 231.162314 NA MeJP NA NA +MJ011538 Deoxynupharidine, 3,4-Didehydro C15H21NO 231.162314 NA MeJP NA NA +MJ011539 Deoxynupharidine, 9,10-Didehydro C15H21NO 231.162314 NA MeJP NA NA +MJ011540 Eptazocine C15H21NO 231.162314 NA MeJP NA NA +MJ011541 Metazocine C15H21NO 231.162314 NA MeJP NA NA +MJ011542 Rotundine B; 13-Ketone C15H21NO 231.162314 NA MeJP NA NA +MJ011543 Tofetridine C15H21NO 231.162314 NA MeJP NA NA +MJ011544 10-Isocyano-4-amorphene; 10?-form C16H25N 231.198699 NA MeJP NA NA +MJ011545 10-Isocyano-6-guaiene C16H25N 231.198699 NA MeJP NA NA +MJ011546 11-Formamido-5-eudesmene, Isocyanide C16H25N 231.198699 NA MeJP NA NA +MJ011547 2-Isocyanopupukeanane C16H25N 231.198699 NA MeJP NA NA +MJ011548 2-Isothiocyanatotrachyopsane; Isocyanide C16H25N 231.198699 NA MeJP NA NA +MJ011549 4-Isocyano-9-amorphene; 4?-form C16H25N 231.198699 NA MeJP NA NA +MJ011550 4-Isothiocyanato-1-cadinene; 4-Isocyanide C16H25N 231.198699 NA MeJP NA NA +MJ011551 6-Formamido-4(15)-eudesmene, Isocyanide C16H25N 231.198699 NA MeJP NA NA +MJ011552 6-Isodaucene 14-isonitrile C16H25N 231.198699 NA MeJP NA NA +MJ011553 7-Isocyano-2,10-bisaboladiene C16H25N 231.198699 NA MeJP NA NA +MJ011554 9-Isocyanoneopupukeanane C16H25N 231.198699 NA MeJP NA NA +MJ011555 9-Isocyanopupukeanane C16H25N 231.198699 NA MeJP NA NA +MJ011556 Acanthellin 1 C16H25N 231.198699 NA MeJP NA NA +MJ011557 Acanthisonitrile 3 C16H25N 231.198699 NA MeJP NA NA +MJ011558 Aromadendrane 1-isonitrile C16H25N 231.198699 NA MeJP NA NA +MJ011559 Axamide 1; Isocyanide C16H25N 231.198699 NA MeJP NA NA +MJ011560 Axamide 2, 1-Epimer, isocyanide C16H25N 231.198699 NA MeJP NA NA +MJ011561 Axamide 2, Isocyanide C16H25N 231.198699 NA MeJP NA NA +MJ011562 Axamide 3; Isocyanide C16H25N 231.198699 NA MeJP NA NA +MJ011563 Dendrobates Alkaloid 231A C16H25N 231.198699 NA MeJP NA NA +MJ011564 Dendrobates Alkaloid 231B C16H25N 231.198699 NA MeJP NA NA +MJ011565 Isocyanoallopupukeanane C16H25N 231.198699 NA MeJP NA NA +MJ011566 Lycopodine, Deoxo, 4,5-didehydro C16H25N 231.198699 NA MeJP NA NA +MJ011567 Muscopyridine C16H25N 231.198699 NA MeJP NA NA +MJ011568 Stylotellin C16H25N 231.198699 NA MeJP NA NA +MJ011569 Theonelline isocyanide C16H25N 231.198699 NA MeJP NA NA +MJ011570 3-Amino-1,2-propanediol, 1-Decyl ether C13H29NO2 231.219829 NA MeJP NA NA +MJ011571 3-Bromo-4,5-dihydroxybenzoic acid C7H5BrO4 231.937121 NA MeJP NA NA +CJpos0596 Citric acid [M+K]+ (41K) C6H8O7[41]K 231.980475 C18rt(min)=1.09 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0596 Citric acid [M+K]+ (41K) C6H8O7[41]K 231.980475 C18rt(min)=1.09 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ011572 5-Bromo-1H-pyrrole-2-carboxylic acid; (Methoxymethyl)amide C7H9BrN2O2 231.98474 NA MeJP NA NA +MJ011573 3-[4-(2-Furanyl)-3-buten-1-ynyl]-1,2-dithiin C12H8OS2 232.001656 NA MeJP NA NA +MJ011574 5'-(1-Propynyl)[2,2'-bithiophene]-5-carboxylic acid; 1''-Aldehyde C12H8OS2 232.001656 NA MeJP NA NA +MJ011575 5-[5-(Ethynyl-2-thienyl)ethynyl]-2,3-dihydrothiophene-3-ol C12H8OS2 232.001656 NA MeJP NA NA +MJ011576 ?-Methyl-5-(2-thienylethynyl)-2-thiophenemethanol; Ketone C12H8OS2 232.001656 NA MeJP NA NA +MJ011577 2-(3,4-Dihydroxyphenyl)ethenol, 1-O-Sulfate C8H8O6S 232.004158 NA MeJP NA NA +MJ011578 Benzyl 2-hydroxyethyl trisulfide C9H12OS3 232.005027 NA MeJP NA NA +MJ011579 7-Chloro-3,4-dihydro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide C8H9ClN2O2S 232.007325 NA MeJP NA NA +MJ011580 Chrycolide C12H8O3S 232.019414 NA MeJP NA NA +MJ011581 1,2,3,4-Tetrahydro-7-nitro-2,3-dioxo-6-quinoxalinecarboxylic acid; Nitrile C9H4N4O4 232.023254 NA MeJP NA NA +C13668 6-Cyano-7-nitroquinoxaline-2,3-dione C9H4N4O4 232.0233 NA KEGG NA NA +C13669 Transferred to D02131 C9H4N4O4 232.0233 NA KEGG NA NA +MJ011582 1,1-Pentanediphosphonic acid C5H14O6P2 232.026561 NA MeJP NA NA +MJ011583 5-Chloro-5,6-dihydro-2-(2,4,6-octatriynylidene)-2H-pyran, 3,4-Epoxide C13H9ClO2 232.029107 NA MeJP NA NA +C01068 D-Ribitol 5-phosphate C5H13O8P 232.0348 NA KEGG NA NA +C02895 Xylitol 5-phosphate C5H13O8P 232.0348 NA KEGG NA NA +C02896 alpha,omega-Diamine C2H8N2 232.0348 NA KEGG NA NA +C02897 alpha-D-Arabinoside C5H9O5R 232.0348 NA KEGG NA NA +C02898 alpha-Macroglobulin C5H9O5R 232.0348 NA KEGG NA NA +C03509 L-Arabinitol 5-phosphate C5H13O8P 232.0348 NA KEGG NA NA +MJ011584 D-Ribitol 5-phosphate C5H13O8P 232.034803 NA MeJP NA NA +MetaCyc02150 xylitol 5-phosphate [] C5H13O8P1 232.034804 NA metacyc NA NA +MetaCyc02151 D-ribitol 5-phosphate [] C5H13O8P1 232.034804 NA metacyc NA NA +CJneg0436 1,7-dimethyluric acid [(M+Cl)]- C7H8ClN4O3 232.036825 C18rt(min)=4.96 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0436 1,7-dimethyluric acid [(M+Cl)]- C7H8ClN4O3 232.036825 C18rt(min)=4.96 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ011585 4,8-Dihydroxy-2H-furo[2,3-h]-1-benzopyran-2-one; 8-Me ether C12H8O5 232.037173 NA MeJP NA NA +MJ011586 4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; 4-Me ether C12H8O5 232.037173 NA MeJP NA NA +MJ011587 Norkhellol C12H8O5 232.037173 NA MeJP NA NA +C02951 5-Hydroxyxanthotoxin C12H8O5 232.0372 NA KEGG NA NA +MJ011588 5-(1,3-Butadienyl)-5'-methyl-2,2'-bithiophene C13H12S2 232.038041 NA MeJP NA NA +MJ011589 5-(1-Propenyl)-5'-vinyl-2,2'-bithiophene C13H12S2 232.038041 NA MeJP NA NA +MJ011590 4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin C10H16S3 232.041412 NA MeJP NA NA +MJ011591 1-(3,4-Dihydroxyphenyl)-1,2-propanediol; 3-Chloro, 3'-Me ether C10H13ClO4 232.050236 NA MeJP NA NA +MJ011592 Pralidoxime(1+); Methanesulfonate C8H12N2O4S 232.051777 NA MeJP NA NA +MJ011593 5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein C13H12O2S 232.0558 NA MeJP NA NA +MJ011594 Atliprofen C13H12O2S 232.0558 NA MeJP NA NA +MJ011595 2-Oxo-1,3-dioxolane-4,4-diacetic acid; Di-Me ester C9H12O7 232.058302 NA MeJP NA NA +MJ011596 Nifurprazine C10H8N4O3 232.05964 NA MeJP NA NA +7952 synthetic peptide YYC 232.063 MH2+ Inhouse_peptide NA peptide +7976 synthetic peptide YCY 232.063 MH2+ Inhouse_peptide NA peptide +7977 synthetic peptide CYY 232.063 MH2+ Inhouse_peptide NA peptide +MJ011597 Sampangine C15H8N2O 232.063662 NA MeJP NA NA +MJ011598 Kifunensine C8H12N2O6 232.069536 NA MeJP NA NA +MJ011599 1,2,3,4-Naphthalenetetrol; 1,2-Methylene, 3,4-di-Me ether C13H12O4 232.073558 NA MeJP NA NA +MJ011600 1,2,3,4-Naphthalenetetrol; 2,3-Methylene, 1,4-di-Me ether C13H12O4 232.073558 NA MeJP NA NA +MJ011601 10-Hydroxy-2,8-decadiene-4,6-diynoic acid, Ac, Me ester C13H12O4 232.073558 NA MeJP NA NA +MJ011602 2,5-Diacetyl-6-hydroxybenzofuran; Me ether C13H12O4 232.073558 NA MeJP NA NA +MJ011603 2,7,8-Trihydroxy-6-methyl-1-naphthalenecarboxaldehyde; 8-Me ether C13H12O4 232.073558 NA MeJP NA NA +MJ011604 4,5,6-Trihydroxy-2-naphthalenecarboxaldehyde; 4,5-Di-Me ether C13H12O4 232.073558 NA MeJP NA NA +MJ011605 4,5-Dihydroxy-2-naphthalenecarboxylic acid; Di-Me ether C13H12O4 232.073558 NA MeJP NA NA +MJ011606 5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol C13H12O4 232.073558 NA MeJP NA NA +MJ011607 5-(3,4-Methylenedioxyphenyl)-2,4-pentadienoic acid, Me ester C13H12O4 232.073558 NA MeJP NA NA +MJ011608 5-Acetyl-6-hydroxy-2-isopropylidene-3(2H)-benzofuranone C13H12O4 232.073558 NA MeJP NA NA +MJ011609 5-Hydroxy-3-(2-hydroxyethyl)-2-methyl-1,4-naphthoquinone C13H12O4 232.073558 NA MeJP NA NA +MJ011610 5-Hydroxy-7-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one C13H12O4 232.073558 NA MeJP NA NA +MJ011611 6,7-Dihydroxy-2,3-dimethyl-1,4-naphthoquinone; Mono-Me ether C13H12O4 232.073558 NA MeJP NA NA +MJ011612 6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(2-Methyl-1-propenyl) C13H12O4 232.073558 NA MeJP NA NA +MJ011613 6,7-Dihydroxy-3-propyl-1H-2-benzopyran-1-one; Methylene ether C13H12O4 232.073558 NA MeJP NA NA +MJ011614 6-Acetyl-7-hydroxy-2,3-dimethyl-4H-1-benzopyran-4-one C13H12O4 232.073558 NA MeJP NA NA +MJ011615 6-Ethyl-5-hydroxy-7-methoxy-1,4-naphthoquinone C13H12O4 232.073558 NA MeJP NA NA +MJ011616 7,7a-Dihydro-7-oxobenzo[b]cyclopropa[e]pyran-1a(1H)-carboxylic acid; Et ester C13H12O4 232.073558 NA MeJP NA NA +MJ011617 Ageratone; O-De-Ac C13H12O4 232.073558 NA MeJP NA NA +MJ011618 Aloesol; 2'-Ketone C13H12O4 232.073558 NA MeJP NA NA +MJ011619 Altholactone C13H12O4 232.073558 NA MeJP NA NA +MJ011620 Antibiotic S 12792A C13H12O4 232.073558 NA MeJP NA NA +MJ011621 Barakol C13H12O4 232.073558 NA MeJP NA NA +MJ011622 Cassiachromone C13H12O4 232.073558 NA MeJP NA NA +MJ011623 Coniferaldehyde, 4'-O-(1-Methylene-2-oxoethyl) C13H12O4 232.073558 NA MeJP NA NA +MJ011624 Coniochaetone B C13H12O4 232.073558 NA MeJP NA NA +MJ011625 Coriandrin; 3,4-Dihydro C13H12O4 232.073558 NA MeJP NA NA +MJ011626 Fadyenolide C13H12O4 232.073558 NA MeJP NA NA +MJ011627 Goniobutenolide A C13H12O4 232.073558 NA MeJP NA NA +MJ011628 Granulosin C13H12O4 232.073558 NA MeJP NA NA +MJ011629 Platypterophthalide C13H12O4 232.073558 NA MeJP NA NA +MJ011630 Salfredin B11 C13H12O4 232.073558 NA MeJP NA NA +MJ011631 Viscidone, 2'-Aldehyde C13H12O4 232.073558 NA MeJP NA NA +MetaCyc02152 aloesone [2-acetonyl-7-hydroxy-5-methylchromone;] C13H12O4 232.073559 NA metacyc NA NA +C09930 Goniothalenol C13H12O4 232.0736 NA KEGG NA NA +MJ011632 3,6,9-Decatrien-1-ol, O-Sulfate C10H16O4S 232.076929 NA MeJP NA NA +MJ011633 5-Ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione C12H12N2O3 232.084792 NA MeJP NA NA +MJ011634 Dazoxiben C12H12N2O3 232.084792 NA MeJP NA NA +MJ011635 N-(Phenylacetyl)-2-butenediamide C12H12N2O3 232.084792 NA MeJP NA NA +MJ011636 N-[2-(1H-Indol-3-yl)-2-oxoethyl]acetamide; 1'-Hydroxy C12H12N2O3 232.084792 NA MeJP NA NA +MJ011637 Nalidixic acid C12H12N2O3 232.084792 NA MeJP NA NA +MJ011638 Sesbanine C12H12N2O3 232.084792 NA MeJP NA NA +MJ011639 Vasicinone, 5-Methoxy C12H12N2O3 232.084792 NA MeJP NA NA +MJ011640 Vasicinone, 7-Methoxy C12H12N2O3 232.084792 NA MeJP NA NA +MJ011641 Vasicinone, 5-Methoxy C12H12N2O3 232.084792 NA MeJP NA NA +C05079 Nalidixic acid C12H12N2O3 232.0848 NA KEGG NA NA +C07434 Phenobarbital C12H12N2O3 232.0848 NA KEGG NA NA +MJ011642 Alonacic C9H16N2O3S 232.088163 NA MeJP NA NA +MJ011643 5-Ethylidene-2-hydroxy-2-hydroxymethyl-3-methylhexanedioic acid C10H16O6 232.094688 NA MeJP NA NA +MJ011644 Hygrophyllinecic acid C10H16O6 232.094688 NA MeJP NA NA +MJ011645 Jaconecic acid C10H16O6 232.094688 NA MeJP NA NA +MJ011646 Rehmaglutin A; 3?-Methoxy C10H16O6 232.094688 NA MeJP NA NA +MJ011647 Riburonic acid; ?-D-Furanose-form, Me glycoside, 2,3-O-isopropylidene, Me ester C10H16O6 232.094688 NA MeJP NA NA +MJ011648 Spirobispinnaketal C10H16O6 232.094688 NA MeJP NA NA +MJ011649 3-Hexyl-4,5-dithiacycloheptanone C11H20OS2 232.095556 NA MeJP NA NA +MJ011650 Molinazone C11H12N4O2 232.096025 NA MeJP NA NA +MJ011651 Panidazole C11H12N4O2 232.096025 NA MeJP NA NA +MJ011652 Todralazine C11H12N4O2 232.096025 NA MeJP NA NA +8053 synthetic peptide PWY 232.097 MH2+ Inhouse_peptide NA peptide +C09142 Cryptolepine C16H12N2 232.1 NA KEGG NA NA +MJ011653 10H-Indolo[3,2-b]quinoline; 5H-form, 5-Me C16H12N2 232.100048 NA MeJP NA NA +MJ011654 Indolo[3,2-c]quinoline; 5H-form, N-Me C16H12N2 232.100048 NA MeJP NA NA +MJ011655 7-Isopropyl-1,4-dimethylazulene; 2-Chloro C15H17Cl 232.101878 NA MeJP NA NA +C01410 Boc-Asn C9H16N2O5 232.1059 NA KEGG NA NA +C03415 N2-Succinyl-L-ornithine C9H16N2O5 232.1059 NA KEGG NA NA +C04390 N6-Acetyl-LL-2,6-diaminoheptanedioate C9H16N2O5 232.1059 NA KEGG NA NA +C04391 O-Phospho-microsomal-membrane protein C4H7N2O6PR2 232.1059 NA KEGG NA NA +C15767 gamma-Glutamyl-gamma-aminobutyrate C9H16N2O5 232.1059 NA KEGG NA NA +PJ000067 VD C9H16N2O5 232.1059 NA PeJP NA NA +MJ011656 N6-Acetyl-LL-2,6-diaminoheptanedioate C9H16N2O5 232.105921 NA MeJP NA NA +MJ011657 N2-Succinyl-L-ornithine C9H16N2O5 232.105921 NA MeJP NA NA +MJ011658 Ethesdanine C9H16N2O5 232.105921 NA MeJP NA NA +MJ011659 Glutamic acid, N-(4-Aminobutanoyl) C9H16N2O5 232.105921 NA MeJP NA NA +MJ011660 N-(2-Carboxypropyl)glutamine; L-L-form C9H16N2O5 232.105921 NA MeJP NA NA +MJ011661 N-(3-Carboxypropyl)glutamine C9H16N2O5 232.105921 NA MeJP NA NA +MetaCyc02153 N2-succinyl-L-ornithine [N2-succinylornithine;] C9H16N2O5 232.105922 80102-04-1 metacyc NA NA +MetaCyc02154 N-acetyl-L,L-2,6-diaminopimelate [N6-acetyl-L,L-2,6-diaminopimelate;N-acetyl-L,L-2,6-diaminoheptanedioate;N6-acetyl-L,L-2,6-diaminoheptanedioate;N2-acetyl-L,L-2,6-diaminoheptanedioate;N6-acetyl-L-2,6-diaminoheptanedioate;N-acetyl-L,L-DAP;] C9H16N2O5 232.105922 NA metacyc NA NA +HMDB01199 N2-Succinyl-L-ornithine C9H16N2O5 232.105927 NA HMDB2010 NA NA +HMDB12161 4-(Glutamylamino) butanoate C9H16N2O5 232.105927 NA HMDB2010 NA NA +HMDB01199 N2-Succinyl-L-ornithine C9H16N2O5 232.10593 http://www.hmdb.ca/metabolites/HMDB01199 HMDB NA NA +HMDB01199 N2-Succinyl-L-ornithine C9H16N2O5 232.10593 HMDB01199 PFEM_hmdb_metabocards_official NA NA +C07611 Kavapyrone C14H16O3 232.1099 NA KEGG NA NA +C09005 Encecalin C14H16O3 232.1099 NA KEGG NA NA +C09503 Mexicanin E C14H16O3 232.1099 NA KEGG NA NA +MJ011662 1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-2-buten-1-one; Me ether C14H16O3 232.109944 NA MeJP NA NA +MJ011663 15-Nor-4-oxo-1(5),11(13)-guaiadien-12,8-olide C14H16O3 232.109944 NA MeJP NA NA +MJ011664 2-Methyl-1,4,5-naphthalenetriol; Tri-Me ether C14H16O3 232.109944 NA MeJP NA NA +MJ011665 3,4-Dihydro-3-(1,3-pentadienyl)-1H-2-benzopyran-4,8-diol C14H16O3 232.109944 NA MeJP NA NA +MJ011666 3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-2-propenoic acid; 3,4-Dihydro C14H16O3 232.109944 NA MeJP NA NA +MJ011667 4,6,12-Tetradecatriene-8,10-diyne-1,3,14-triol C14H16O3 232.109944 NA MeJP NA NA +MJ011668 5-Acetyl-2,3-dihydro-7-hydroxy-2-isopropenylbenzofuran; Me ether C14H16O3 232.109944 NA MeJP NA NA +MJ011669 6,7-Dihydroxy-4,12-tetradecadiene-8,10-diynal C14H16O3 232.109944 NA MeJP NA NA +MJ011670 6-Acetyl-7-hydroxy-2,2-dimethyl-2H-1-benzopyran; Me ether C14H16O3 232.109944 NA MeJP NA NA +MJ011671 6-Acetyl-8-hydroxy-2,2-dimethyl-2H-1-benzopyran; Me ether C14H16O3 232.109944 NA MeJP NA NA +MJ011672 6-Hydroxytremetone, Me ether C14H16O3 232.109944 NA MeJP NA NA +MJ011673 6-Methyl-1,2,8-naphthalenetriol; Tri-Me ether C14H16O3 232.109944 NA MeJP NA NA +MJ011674 6-Methyl-3-benzofuranmethanol; O-(2-Methylpropanoyl) C14H16O3 232.109944 NA MeJP NA NA +MJ011675 9-(Tetrahydropyran-2-yl)-2,8-nonadiene-4,6-diyn-1-ol, 8,9-Epoxide C14H16O3 232.109944 NA MeJP NA NA +MJ011676 Boninenal C14H16O3 232.109944 NA MeJP NA NA +MJ011677 Citrusnin A C14H16O3 232.109944 NA MeJP NA NA +MJ011678 Drupanin C14H16O3 232.109944 NA MeJP NA NA +MJ011679 Flourensianol C14H16O3 232.109944 NA MeJP NA NA +MJ011680 Fraxinellone C14H16O3 232.109944 NA MeJP NA NA +MJ011681 Kawain, 7,8-Dihydro C14H16O3 232.109944 NA MeJP NA NA +MJ011682 Lacinilene D C14H16O3 232.109944 NA MeJP NA NA +MJ011683 Mexicanin E C14H16O3 232.109944 NA MeJP NA NA +MJ011684 Prelunularin C14H16O3 232.109944 NA MeJP NA NA +MJ011685 Pterosin M, 4-Carboxylic acid, 8-deoxy C14H16O3 232.109944 NA MeJP NA NA +MJ011686 Pyricuol C14H16O3 232.109944 NA MeJP NA NA +MJ011687 Sorbicillin C14H16O3 232.109944 NA MeJP NA NA +MJ011688 Spiciferinone C14H16O3 232.109944 NA MeJP NA NA +MJ011689 Spiciferone A C14H16O3 232.109944 NA MeJP NA NA +C17232 2-Oxo-10-methylthiodecanoic acid C11H20O3S 232.1133 NA KEGG NA NA +8008 synthetic peptide LWF 232.1155 MH2+ Inhouse_peptide NA peptide +TEST008 N?(carboxymethyl)arginine (CMA) C8H16N4O4 232.117155 http://www.chemspider.com/Chemical-Structure.11545330.html PFEM_hmdb_metabocards_urine NA urine +TEST008 N?(carboxymethyl)arginine (CMA) C8H16N4O4 232.117155 http://www.chemspider.com/Chemical-Structure.11545330.html BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +TEST008 N?(carboxymethyl)arginine (CMA) C8H16N4O4 232.117155 http://www.chemspider.com/Chemical-Structure.11545330.html Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +TEST008 N?(carboxymethyl)arginine (CMA) C8H16N4O4 232.117155 http://www.chemspider.com/Chemical-Structure.11545330.html banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +TEST008 N?(carboxymethyl)arginine (CMA) C8H16N4O4 232.117155 http://www.chemspider.com/Chemical-Structure.11545330.html HMDB NA NA +TEST008 N?(carboxymethyl)arginine (CMA) C8H16N4O4 232.117155 http://www.chemspider.com/Chemical-Structure.11545330.html Inhouse_PFEM NA NA +MJ011690 Acetopine C8H16N4O4 232.117155 NA MeJP NA NA +TEST008 N?(carboxymethyl)arginine (CMA) C8H16N4O4 232.117155 http://www.chemspider.com/Chemical-Structure.11545330.html PFEM_hmdb_metabocards_blood NA blood +TEST008 N?(carboxymethyl)arginine (CMA) C8H16N4O4 232.117155 http://www.chemspider.com/Chemical-Structure.11545330.html PFEM_hmdb_metabocards_official NA NA +MJ011691 3-Dimethylaminoacetyl-5-methoxyindole C13H16N2O2 232.121177 NA MeJP NA NA +MJ011692 5-Methoxytryptamine; Nb-Ac C13H16N2O2 232.121177 NA MeJP NA NA +MJ011693 Aminoglutethimide C13H16N2O2 232.121177 NA MeJP NA NA +MJ011694 Cytisine, N-Ac C13H16N2O2 232.121177 NA MeJP NA NA +MJ011695 Horsfiline C13H16N2O2 232.121177 NA MeJP NA NA +MJ011696 Imidazo[1,5-a]pyridine-5-hexanoic acid C13H16N2O2 232.121177 NA MeJP NA NA +MJ011697 Mofebutazone C13H16N2O2 232.121177 NA MeJP NA NA +MJ011698 N-Methyltryptophan, Me ester C13H16N2O2 232.121177 NA MeJP NA NA +MJ011699 Tryptophan, Na,Na-Di-Me C13H16N2O2 232.121177 NA MeJP NA NA +MJ011700 Melatonin C13H16N2O2 232.121177 NA MeJP NA NA +MetaCyc02155 N-acetyl-5-methoxy-tryptamine [melatonin;] C13H16N2O2 232.121178 73-31-4 metacyc NA NA +MetaCyc02156 melatonin [] C13H16N2O2 232.121178 NA metacyc NA NA +HMDB01389 Melatonin C13H16N2O2 232.121185 NA HMDB2010 NA NA +HMDB01389 Melatonin C13H16N2O2 232.12119 http://www.hmdb.ca/metabolites/HMDB01389 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01389 Melatonin C13H16N2O2 232.12119 http://www.hmdb.ca/metabolites/HMDB01389 HMDB NA NA +HMDB01389 Melatonin C13H16N2O2 232.12119 http://www.hmdb.ca/metabolites/HMDB01389 PFEM_hmdb_metabocards_blood NA blood +HMDB01389 Melatonin C13H16N2O2 232.12119 HMDB01389 PFEM_hmdb_metabocards_official NA NA +C01598 Melatonin C13H16N2O2 232.1212 NA KEGG NA NA +C01599 NDP-aldose C13H16N2O2 232.1212 NA KEGG NA NA +C01600 NDP-hexose C11H21O15P2R 232.1212 NA KEGG NA NA +C07617 Aminoglutethimide C13H16N2O2 232.1212 NA KEGG NA NA +MJ011701 3-Chloromethyl-7-methyl-2,7-octadiene-1,6-diol; Di-Me ether C12H21ClO2 232.123007 NA MeJP NA NA +MJ011702 6-Chloromethyl-2-methyl-2,6-octadiene-1,8-diol, Di-Me ether C12H21ClO2 232.123007 NA MeJP NA NA +2811 PEP inhibitor VHLP 232.131 MH2+ Inhouse_peptide NA peptide +MJ011703 2,6-Dideoxy-3-C-methyl-arabino-hexose, 4-O-(2-Methylpropanoyl) C11H20O5 232.131073 NA MeJP NA NA +MJ011704 Jioglutin E C11H20O5 232.131073 NA MeJP NA NA +MJ011705 [Dihydro-5-(1,3-dihydroxybutyl)-4-hydroxy-2(3H)furanylidene]acetic acid; 2,3-Dihydro, Me ester C11H20O5 232.131073 NA MeJP NA NA +PJ000068 TL C10H20N2O4 232.1423 NA PeJP NA NA +MJ011706 Mebutamate C10H20N2O4 232.142307 NA MeJP NA NA +MJ011707 Spermic acid C10H20N2O4 232.142307 NA MeJP NA NA +C09289 Alantolactone C15H20O2 232.1463 NA KEGG NA NA +C09382 Costunolide C15H20O2 232.1463 NA KEGG NA NA +C09383 alpha-Cyclocostunolide C15H20O2 232.1463 NA KEGG NA NA +C09384 beta-Cyclocostunolide C15H20O2 232.1463 NA KEGG NA NA +C09408 Eremofrullanolide C15H20O2 232.1463 NA KEGG NA NA +C09454 Frullanolide C15H20O2 232.1463 NA KEGG NA NA +C09466 Glechomanolide C15H20O2 232.1463 NA KEGG NA NA +C09484 Isoalantolactone C15H20O2 232.1463 NA KEGG NA NA +C09692 Isovelleral C15H20O2 232.1463 NA KEGG NA NA +C09710 Pinguisone C15H20O2 232.1463 NA KEGG NA NA +C17488 Furanogermenone C15H20O2 232.1463 NA KEGG NA NA +MJ011708 1(10),11(13)-Eremophiladien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011709 1(10),11(13)-Guaiadien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011710 1(10),11-Chiloscyphadiene-2,7-dione C15H20O2 232.146329 NA MeJP NA NA +MJ011711 1(10),11-Guaiadien-14,2-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011712 1(10),3,11(13)-Guaiatrien-12,6-olide, 11?,13-Dihydro C15H20O2 232.146329 NA MeJP NA NA +MJ011713 1(10),3-Guaiadien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011714 1(10),4,11(13)-Germacratrien-12,6-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011715 1(10),4,11(13)-Germacratrien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011716 1(10),4,11(13)-Germacratriene-12,14-dial C15H20O2 232.146329 NA MeJP NA NA +MJ011717 1(10),4,11-Germacratrien-15,6-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011718 1(10),4,7(11)-Germacratrien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011719 1(10),4,7(11)-Germacratrien-12,9-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011720 1(10),4-Guaiadien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011721 1(10),5,11-Germacratrien-15,6-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011722 1(10)-Eremophilen-12,6-olide, 11,13-Didehydro C15H20O2 232.146329 NA MeJP NA NA +MJ011723 1,10-Epoxyfuranoeremophilane C15H20O2 232.146329 NA MeJP NA NA +MJ011724 1,2-Dihydroxy-1,3,5-herbertatrien-12-al, 2-Deoxy C15H20O2 232.146329 NA MeJP NA NA +MJ011725 1,2-Methylenedioxy-4-(2-octenyl)benzene C15H20O2 232.146329 NA MeJP NA NA +MJ011726 1,3,11(13)-Elematrien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011727 1,3,11(13)-Eudesmatrien-12-oic acid C15H20O2 232.146329 NA MeJP NA NA +MJ011728 1,3,11-Elematrien-15,6-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011729 1,3,5,7,10-Bisabolapentaen-1-ol, 4-Hydroxy C15H20O2 232.146329 NA MeJP NA NA +MJ011730 1,3,7(11)-Elematrien-12,8-olide; 8?-form C15H20O2 232.146329 NA MeJP NA NA +MJ011731 1,3-Eudesmadien-12,6-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011732 1,4(15),11-Elematrien-3,14-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011733 1,4(15)-Eudesmadien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011734 1,7-Dihydroxy-2,9-illudadien-8-one, 1-Deoxy C15H20O2 232.146329 NA MeJP NA NA +MJ011735 1-Hydroxy-1,3,5,10-bisabolatetraen-9-one C15H20O2 232.146329 NA MeJP NA NA +MJ011736 1-Hydroxy-1,4,11-eudesmatrien-3-one C15H20O2 232.146329 NA MeJP NA NA +MJ011737 10,11-Epidioxycalamene C15H20O2 232.146329 NA MeJP NA NA +MJ011738 10,14-Epoxy-1,4(15),5-germacratrien-9-one C15H20O2 232.146329 NA MeJP NA NA +MJ011739 10-Pentadecene-6,8-diynoic acid C15H20O2 232.146329 NA MeJP NA NA +MJ011740 11,12-Dehydro-2,3-calamenenediol C15H20O2 232.146329 NA MeJP NA NA +MJ011741 11-Eremophilene-2,9-dione, 1,10-Didehydro C15H20O2 232.146329 NA MeJP NA NA +MJ011742 12-Hydroxy-1,3,5,10-bisabolatetraen-15-al C15H20O2 232.146329 NA MeJP NA NA +MJ011743 2(6)-Africanene-1,5-dione C15H20O2 232.146329 NA MeJP NA NA +MJ011744 2(9),7-Lactaradien-14,5-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011745 2,4(15),11(13)-Eudesmatrien-12-oic acid C15H20O2 232.146329 NA MeJP NA NA +MJ011746 2,4,8,10,12-Tetradecapentaenoic acid, Me ester C15H20O2 232.146329 NA MeJP NA NA +MJ011747 2,5-Cuparadiene-1,4-dione C15H20O2 232.146329 NA MeJP NA NA +MJ011748 2,8-Pentadecadiene-4,6-diyne-1,10-diol C15H20O2 232.146329 NA MeJP NA NA +MJ011749 2-(4-Cyclohexylphenyl)propanoic acid C15H20O2 232.146329 NA MeJP NA NA +MJ011750 2-Decene-4,6-diyn-1-ol, 3-Methylbutanoyl C15H20O2 232.146329 NA MeJP NA NA +MJ011751 2-Hydroxy-1,3,5,10-bisabolatetraen-9-one C15H20O2 232.146329 NA MeJP NA NA +MJ011752 2-Hydroxy-15-nor-1,4,6-eudesmatrien-3-one; Me ether C15H20O2 232.146329 NA MeJP NA NA +MJ011753 2-Hydroxy-4,11(13)-eudesmadien-15-al; 2?-form, 6,7-Didehydro C15H20O2 232.146329 NA MeJP NA NA +MJ011754 2-Methoxy-4-(2-propenyl)phenol; O-(3-Methyl-2-butenyl) C15H20O2 232.146329 NA MeJP NA NA +MJ011755 2-Methoxy-6-(3-methyl-2-butenyl)-4-(2-propenyl)phenol C15H20O2 232.146329 NA MeJP NA NA +MJ011756 3,10(14),11(13)-Guaiatrien-12,8-olide, 11?,13-Dihydro C15H20O2 232.146329 NA MeJP NA NA +MJ011757 3,10(14)-Guaiadien-12,6-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011758 3,11(13)-Eudesmadien-12,6-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011759 3,11(13)-Eudesmadien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011760 3,11-Eudesmadiene-2,6-dione C15H20O2 232.146329 NA MeJP NA NA +MJ011761 3,4,5,6-Tetrahydro-2,6,9-trimethyl-2,6-methano-2H-1-benzoxocin-3-ol C15H20O2 232.146329 NA MeJP NA NA +MJ011762 3,6-Lactaradien-5,14-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011763 3,8-Calamenenediol, 8-Ketone C15H20O2 232.146329 NA MeJP NA NA +MJ011764 3,8:5,14-Diepoxy-5,7(14)-lactaradiene C15H20O2 232.146329 NA MeJP NA NA +MJ011765 3,9-Amorphadien-14,2-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011766 3,9-Calamenenediol, 9-Ketone C15H20O2 232.146329 NA MeJP NA NA +MJ011767 3,9-Dihydroxy-?-calacorene C15H20O2 232.146329 NA MeJP NA NA +MJ011768 3-Cucumene-5,8-dione C15H20O2 232.146329 NA MeJP NA NA +MJ011769 3-Hydroxy-1,5-africanadien-4-one; 3?-form C15H20O2 232.146329 NA MeJP NA NA +MJ011770 3-Hydroxy-1,7(11),9-eremophilatrien-8-one C15H20O2 232.146329 NA MeJP NA NA +MJ011771 3-Hydroxy-2(9),7(14)-illudadien-8-one; 3?-form C15H20O2 232.146329 NA MeJP NA NA +MJ011772 3-Hydroxy-4,11(13)-eudesmadien-12-oic acid, 3-Ketone, 12-aldehyde C15H20O2 232.146329 NA MeJP NA NA +MJ011773 3-Hydroxy-6,8-lactaradien-14,5-olide, 3-Deoxy, 3-epimer C15H20O2 232.146329 NA MeJP NA NA +MJ011774 3-Hydroxy-6,9,11-eremophilatrien-8-one; 3?-form C15H20O2 232.146329 NA MeJP NA NA +MJ011775 4(13),8-Coloratadienolide C15H20O2 232.146329 NA MeJP NA NA +MJ011776 4(15),10(14),11(13)-Guaiatrien-12,6-olide, 11?,13-Dihydro C15H20O2 232.146329 NA MeJP NA NA +MJ011777 4(15),11(13)-Eudesmadien-12,5-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011778 4(15),11(13)-Eudesmadien-12,6-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011779 4(15),11(13)-Eudesmadien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011780 4(15),7(11)-Eremophiladien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011781 4(15),7(11)-Eudesmadien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011782 4(15),7-Eudesmadien-12,8-olide; 11?-form C15H20O2 232.146329 NA MeJP NA NA +MJ011783 4(15),7-Eudesmadien-12,8-olide; 11?-form C15H20O2 232.146329 NA MeJP NA NA +MJ011784 4(15),9-Guaiadien-12,6-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011785 4(6),7-Lactaradien-5,14-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011786 4(6),7-Lactaradiene-5,14-dial C15H20O2 232.146329 NA MeJP NA NA +MJ011787 4,11(13)-Amorphadien-12-oic acid; 6,7-Didehydro C15H20O2 232.146329 NA MeJP NA NA +MJ011788 4,11(13)-Eudesmadien-12,6-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011789 4,11(13)-Eudesmadien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011790 4,11(13)-Eudesmadiene-12,15-dial C15H20O2 232.146329 NA MeJP NA NA +MJ011791 4,11(13)-Guaiadien-12,6-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011792 4,11(13)-Guaiadien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011793 4,5-Epoxy-7,9-daucadien-14-al C15H20O2 232.146329 NA MeJP NA NA +MJ011794 4,6-Eudesmadiene-3,8-dione C15H20O2 232.146329 NA MeJP NA NA +MJ011795 4,7(11)-Guaiadien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011796 4,8,11-Daucatrien-14-al; 14-Carboxylic acid C15H20O2 232.146329 NA MeJP NA NA +MJ011797 4,9,11(13)-Germacratrien-12,6-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011798 4-(1,2,2-Trimethylcyclopentyl)benzoic acid C15H20O2 232.146329 NA MeJP NA NA +MJ011799 4-Isocedren-14,15-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011800 4-Isocedren-15,14-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011801 4-Isocedrene-14,15-diol; Dialdehyde C15H20O2 232.146329 NA MeJP NA NA +MJ011802 4-Patchoulene-3,6-dione C15H20O2 232.146329 NA MeJP NA NA +MJ011803 5,11(13)-Eudesmadien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011804 5,14-Epoxy-1,5,7(14)-lactaratrien-8-ol C15H20O2 232.146329 NA MeJP NA NA +MJ011805 5,14-Epoxy-3(15),5,7(14)-lactaratrien-8-ol C15H20O2 232.146329 NA MeJP NA NA +MJ011806 5,14-Epoxy-5,7(14),8-lactaratrien-2-ol C15H20O2 232.146329 NA MeJP NA NA +MJ011807 5,14-Epoxy-5,7(14),8-lactaratrien-3-ol C15H20O2 232.146329 NA MeJP NA NA +MJ011808 5,14-Epoxy-8,9-seco-2(9),5,7(14)-lactaratrien-8-al; 3?-form C15H20O2 232.146329 NA MeJP NA NA +MJ011809 5,6,7,8-Tetrahydro-5-isopropyl-3-methyl-2-naphthol; 1-Oxo, Me ether C15H20O2 232.146329 NA MeJP NA NA +MJ011810 5,6-Epoxy-3,11-eudesmadien-2-one C15H20O2 232.146329 NA MeJP NA NA +MJ011811 5,7(11)-Eudesmadien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011812 5,7(14)-Silphiperfoladien-13-oic acid C15H20O2 232.146329 NA MeJP NA NA +MJ011813 5,7-Dihydroxy[indan-1-spirocyclohexane]; 5-Me ether C15H20O2 232.146329 NA MeJP NA NA +MJ011814 5,7-Dihydroxy[indan-1-spirocyclohexane]; 7-Me ether C15H20O2 232.146329 NA MeJP NA NA +MJ011815 5-Hydroxy-1,4(15),7-eudesmatrien-6-one; 5?-form C15H20O2 232.146329 NA MeJP NA NA +MJ011816 5-Hydroxy-2(9),7-lactaradien-14-al, 5-Aldehyde C15H20O2 232.146329 NA MeJP NA NA +MJ011817 5-Hydroxy-2,5,10-bisabolatriene-1,4-dione, 5-Deoxy C15H20O2 232.146329 NA MeJP NA NA +MJ011818 6,11-Epoxy-4(15),5,10-pinguisatrien-7-ol; 7?-form C15H20O2 232.146329 NA MeJP NA NA +MJ011819 6,11-Epoxy-5,10-pinguisadien-12-ol; 12-Aldehyde C15H20O2 232.146329 NA MeJP NA NA +MJ011820 6,11-Epoxy-5,10-pinguisadien-3-one C15H20O2 232.146329 NA MeJP NA NA +MJ011821 6,15-Epoxyfuranoeremophilane C15H20O2 232.146329 NA MeJP NA NA +MJ011822 6,7-Epoxy-4(15)-hirsuten-5-ol, 5-Ketone C15H20O2 232.146329 NA MeJP NA NA +MJ011823 6-Silphiperfolene-3,5-dione C15H20O2 232.146329 NA MeJP NA NA +MJ011824 6-[(3,4-Methylenedioxy)phenyl]-3,3-dimethyl-1-hexene C15H20O2 232.146329 NA MeJP NA NA +MJ011825 7(11)-Eremophilen-12,8-olide, 9,10-Didehydro C15H20O2 232.146329 NA MeJP NA NA +MJ011826 7-Marasmen-5,14-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011827 7-Marasmene-5,14-dial C15H20O2 232.146329 NA MeJP NA NA +MJ011828 8,12-Epoxy-1(10),4,7,11-germacratetraen-6-one, 4,5-Dihydro C15H20O2 232.146329 NA MeJP NA NA +MJ011829 8,12-Epoxy-1(10),7,11-germacratrien-5-one C15H20O2 232.146329 NA MeJP NA NA +MJ011830 8,12-Epoxy-4(15),7,11-eudesmatrien-5-ol C15H20O2 232.146329 NA MeJP NA NA +MJ011831 8-Decene-4,6-diyn-1-ol, 3-Methylbutanoyl C15H20O2 232.146329 NA MeJP NA NA +MJ011832 8-Drimen-12,11-olide; 6,7-Didehydro C15H20O2 232.146329 NA MeJP NA NA +MJ011833 8-Hydroxy-4-amorphen-3-one; 8-Ketone, 7,11-didehydro C15H20O2 232.146329 NA MeJP NA NA +MJ011834 8-Hydroxy-9-pentadecene-11,13-diyn-2-one C15H20O2 232.146329 NA MeJP NA NA +MJ011835 8-Oxo-1(10),4,7(11)-germacratrien-13-al C15H20O2 232.146329 NA MeJP NA NA +MJ011836 8-Oxo-3-copaen-15-al C15H20O2 232.146329 NA MeJP NA NA +MJ011837 8-Oxo-7(11),9-eremophiladien-12-al C15H20O2 232.146329 NA MeJP NA NA +MJ011838 9,11(13)-Eremophiladien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011839 9,11(13)-Ratibidadien-12,8-olide C15H20O2 232.146329 NA MeJP NA NA +MJ011840 9-(3-Furanyl)-2,6-dimethyl-2,6-nonadien-4-one C15H20O2 232.146329 NA MeJP NA NA +MJ011841 9-Oxo-1(10),11(13)-eremophiladien-12-al C15H20O2 232.146329 NA MeJP NA NA +MJ011842 9-Oxo-1,3,5-bisabolatrien-15-oic acid, 15-Aldehyde C15H20O2 232.146329 NA MeJP NA NA +MJ011843 9-Oxo-2-modhephen-14-al C15H20O2 232.146329 NA MeJP NA NA +MJ011844 Anhydrotrisporone C15H20O2 232.146329 NA MeJP NA NA +MJ011845 Annulide C15H20O2 232.146329 NA MeJP NA NA +MJ011846 Arteannuin B; Deepoxy, 4,5-didehydro C15H20O2 232.146329 NA MeJP NA NA +MJ011847 Bilobanone C15H20O2 232.146329 NA MeJP NA NA +MJ011848 Botrydienal C15H20O2 232.146329 NA MeJP NA NA +MJ011849 Brothenolide C15H20O2 232.146329 NA MeJP NA NA +MJ011850 Caespitenone C15H20O2 232.146329 NA MeJP NA NA +MJ011851 Collybial C15H20O2 232.146329 NA MeJP NA NA +MJ011852 Cylindrene C15H20O2 232.146329 NA MeJP NA NA +MJ011853 Distachic acid C15H20O2 232.146329 NA MeJP NA NA +MJ011854 Furanoeremophilan-1-one; 10?H-form C15H20O2 232.146329 NA MeJP NA NA +MJ011855 Furanoeremophilan-1-one; 10à H-form C15H20O2 232.146329 NA MeJP NA NA +MJ011856 Furanoeremophilan-6-ol, 6-Ketone C15H20O2 232.146329 NA MeJP NA NA +MJ011857 Furanoeremophilan-9-one; 10à H-form C15H20O2 232.146329 NA MeJP NA NA +MJ011858 Furanoeudesm-4(15)-en-3-ol C15H20O2 232.146329 NA MeJP NA NA +MJ011859 Furodysinin, 14-Hydroxy C15H20O2 232.146329 NA MeJP NA NA +MJ011860 Furodysinin, 8?-Hydroxy C15H20O2 232.146329 NA MeJP NA NA +MJ011861 Furodysinin, 8?-Hydroxy C15H20O2 232.146329 NA MeJP NA NA +MJ011862 Furopelargone, 1,2-Didehydro C15H20O2 232.146329 NA MeJP NA NA +MJ011863 Furopelargone, 2,3-Didehydro C15H20O2 232.146329 NA MeJP NA NA +MJ011864 Geigeranolide C15H20O2 232.146329 NA MeJP NA NA +MJ011865 Gloeophyllol A C15H20O2 232.146329 NA MeJP NA NA +MJ011866 Hanegokedial C15H20O2 232.146329 NA MeJP NA NA +MJ011867 Herberteneacetal C15H20O2 232.146329 NA MeJP NA NA +MJ011868 Hercynolactone C15H20O2 232.146329 NA MeJP NA NA +MJ011869 Hibiscone A C15H20O2 232.146329 NA MeJP NA NA +MJ011870 Hypacrone C15H20O2 232.146329 NA MeJP NA NA +MJ011871 Isomyodesmone C15H20O2 232.146329 NA MeJP NA NA +MJ011872 Isoplagiochilide C15H20O2 232.146329 NA MeJP NA NA +MJ011873 Isoprofen C15H20O2 232.146329 NA MeJP NA NA +MJ011874 Lasiocarpenonol; 2-Deoxy C15H20O2 232.146329 NA MeJP NA NA +MJ011875 Lasiosperman C15H20O2 232.146329 NA MeJP NA NA +MJ011876 Leucerolide C15H20O2 232.146329 NA MeJP NA NA +MJ011877 Manshurolide C15H20O2 232.146329 NA MeJP NA NA +MJ011878 Mansonone A C15H20O2 232.146329 NA MeJP NA NA +MJ011879 Muzigadial; 9-Deoxy C15H20O2 232.146329 NA MeJP NA NA +MJ011880 Myodesmone C15H20O2 232.146329 NA MeJP NA NA +MJ011881 Myomontanone C15H20O2 232.146329 NA MeJP NA NA +MJ011882 Nakafuran 8; 5?-Hydroxy C15H20O2 232.146329 NA MeJP NA NA +MJ011883 Nardonoxide C15H20O2 232.146329 NA MeJP NA NA +MJ011884 Neotorreyol; 12-Aldehyde C15H20O2 232.146329 NA MeJP NA NA +MJ011885 Nepalensolide A C15H20O2 232.146329 NA MeJP NA NA +MJ011886 Nootkatin C15H20O2 232.146329 NA MeJP NA NA +MJ011887 Penlanpallescensin, 8-Oxo C15H20O2 232.146329 NA MeJP NA NA +MJ011888 Pholiotic acid C15H20O2 232.146329 NA MeJP NA NA +MJ011889 Pinguisanin C15H20O2 232.146329 NA MeJP NA NA +MJ011890 Plagiochilide C15H20O2 232.146329 NA MeJP NA NA +MJ011891 Plagiochiline Q C15H20O2 232.146329 NA MeJP NA NA +MJ011892 Primnatrienone; 6-Hydroxy C15H20O2 232.146329 NA MeJP NA NA +MJ011893 Pseudotsugonoxide; 3',4',5',6'-Tetradehydro C15H20O2 232.146329 NA MeJP NA NA +MJ011894 Pterosin B, Me ether C15H20O2 232.146329 NA MeJP NA NA +MJ011895 Pterosin Z C15H20O2 232.146329 NA MeJP NA NA +MJ011896 Rarisetenolide C15H20O2 232.146329 NA MeJP NA NA +MJ011897 Secoswartzianin A C15H20O2 232.146329 NA MeJP NA NA +MJ011898 Spirodilatanolide A C15H20O2 232.146329 NA MeJP NA NA +MJ011899 Verboccidentafuran; 1-Hydroxy C15H20O2 232.146329 NA MeJP NA NA +MJ011900 Verboccidentafuran; 4?,5?-Epoxide C15H20O2 232.146329 NA MeJP NA NA +MJ011901 Versicolactone A C15H20O2 232.146329 NA MeJP NA NA +CJpos0597 Butyrylcarnitine [(M+H)]+ (13C) C1013CH22NO4 232.149875 C18rt(min)=4.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0597 Butyrylcarnitine [(M+H)]+ (13C) C1013CH22NO4 232.149875 C18rt(min)=4.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ011902 Negamycin, 5-Deoxy C9H20N4O3 232.15354 NA MeJP NA NA +MJ011903 Albine C14H20N2O 232.157563 NA MeJP NA NA +MJ011904 Angustifoline, 8,9-Didehydro C14H20N2O 232.157563 NA MeJP NA NA +MJ011905 Aptocaine C14H20N2O 232.157563 NA MeJP NA NA +MJ011906 Pyrrocaine C14H20N2O 232.157563 NA MeJP NA NA +MJ011907 Tymazoline C14H20N2O 232.157563 NA MeJP NA NA +C10747 Albine C14H20N2O 232.1576 NA KEGG NA NA +C16575 (S)-2',6'-Pipecoloxylidide C14H20N2O 232.1576 NA KEGG NA NA +MJ011908 Diptocarpaine; N2-Isopropyl, S-deoxo C11H24N2OS 232.160934 NA MeJP NA NA +MJ011909 Tolboxane C14H21BO2 232.16346 NA MeJP NA NA +MJ011910 3,6-Dihydroxy-10-methylundecanoic acid C12H24O4 232.167459 NA MeJP NA NA +MJ011911 4-Decylphenol; 3',4'-Didehydro(E-) C16H24O 232.182715 NA MeJP NA NA +MJ011912 4-Decylphenol; 4',5'-Didehydro(E-) C16H24O 232.182715 NA MeJP NA NA +MJ011913 7,12,14-Hexadecatrien-10-yn-1-ol C16H24O 232.182715 NA MeJP NA NA +MJ011914 7,9,11,13-Hexadecatetraen-1-al C16H24O 232.182715 NA MeJP NA NA +MJ011915 Calamenene, 2-Methoxy C16H24O 232.182715 NA MeJP NA NA +MJ011916 Calamenene, 3-Methoxy C16H24O 232.182715 NA MeJP NA NA +MJ011917 Contrunculin A C16H24O 232.182715 NA MeJP NA NA +C10748 Aloperine C15H24N2 232.1939 NA KEGG NA NA +MJ011918 11,12-Dehydrosparteine C15H24N2 232.193948 NA MeJP NA NA +MJ011919 Aloperine C15H24N2 232.193948 NA MeJP NA NA +C17535 Aplotaxene C17H28 232.2191 NA KEGG NA NA +MJ011920 1,8,11,14-Heptadecatetraene C17H28 232.2191 NA MeJP NA NA +MJ011921 12,14-Dimethyl-1,3,6,10-farnesatetraene C17H28 232.2191 NA MeJP NA NA +MetaCyc02157 sterone-ring [] C17H28 232.219101 NA metacyc NA NA +3490 ACE inhibitor from sake lees FWN 232.59495 MH2+ Inhouse_peptide NA peptide +7671 ACE inhibitor from b-CN (56-59), mouse QAFT 232.605 MH2+ Inhouse_peptide NA peptide +3278 NA GHRP 232.616 MH2+ Inhouse_peptide NA peptide +3766 dipeptidyl carboxypeptidase inhibitor PPRP 232.6285 MH2+ Inhouse_peptide NA peptide +HMDB00138 Glycocholic acid C26H43NO6 232.654526 MH2+ Inhouse_peptide NA peptide +MJ011922 Bis[hydroxyacetato(2-)-O1,O2]oxovanadate(V)(1-); NH4 salt C4H8NO7V 232.97404 NA MeJP NA NA +MJ011923 Diloxanide C9H9Cl2NO2 233.001033 NA MeJP NA NA +CJneg0437 p-Hydroxyhippuric acid [(M+Cl)]- (37Cl) C9H9Cl037ClNO4 233.027425 C18rt(min)=4.85 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0438 ?-hydroxyhippuric acid [(M+Cl)]- (37Cl) C9H9Cl037ClNO4 233.027425 C18rt(min)=4.99 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0437 p-Hydroxyhippuric acid [(M+Cl)]- (37Cl) C9H9Cl037ClNO4 233.027425 C18rt(min)=4.85 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0438 ?-hydroxyhippuric acid [(M+Cl)]- (37Cl) C9H9Cl037ClNO4 233.027425 C18rt(min)=4.99 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ011924 Penicillanic acid; S,S-Dioxide C8H11NO5S 233.035793 NA MeJP NA NA +MetaCyc02158 dopamine 3-O-sulfate [5-(2-aminoethyl)-2-hydroxyphenyl hydrogen sulfate;4-(2-aminoethyl)-1,2-benzenediol 2-(hydrogen sulfate);] C8H11N1O5S1 233.035793 NA metacyc NA NA +HMDB04148 Dopamine 4-sulfate C8H11NO5S 233.035797 NA HMDB2010 NA NA +HMDB06275 Dopamine 3-O-sulfate C8H11NO5S 233.035797 NA HMDB2010 NA NA +HMDB04148 Dopamine 4-sulfate C8H11NO5S 233.0358 http://www.hmdb.ca/metabolites/HMDB04148 PFEM_hmdb_metabocards_urine NA urine +HMDB06275 Dopamine 3-O-sulfate C8H11NO5S 233.0358 http://www.hmdb.ca/metabolites/HMDB06275 PFEM_hmdb_metabocards_urine NA urine +HMDB04148 Dopamine 4-sulfate C8H11NO5S 233.0358 http://www.hmdb.ca/metabolites/HMDB04148 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06275 Dopamine 3-O-sulfate C8H11NO5S 233.0358 http://www.hmdb.ca/metabolites/HMDB06275 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04148 Dopamine 4-sulfate C8H11NO5S 233.0358 http://www.hmdb.ca/metabolites/HMDB04148 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB06275 Dopamine 3-O-sulfate C8H11NO5S 233.0358 http://www.hmdb.ca/metabolites/HMDB06275 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04148 Dopamine 4-sulfate C8H11NO5S 233.0358 http://www.hmdb.ca/metabolites/HMDB04148 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB06275 Dopamine 3-O-sulfate C8H11NO5S 233.0358 http://www.hmdb.ca/metabolites/HMDB06275 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04148 Dopamine 4-sulfate C8H11NO5S 233.0358 http://www.hmdb.ca/metabolites/HMDB04148 HMDB NA NA +HMDB06275 Dopamine 3-O-sulfate C8H11NO5S 233.0358 http://www.hmdb.ca/metabolites/HMDB06275 HMDB NA NA +C07770 Sulbactam C8H11NO5S 233.0358 NA KEGG NA NA +C13690 Dopamine 3-O-sulfate C8H11NO5S 233.0358 NA KEGG NA NA +C13691 Dopamine 4-O-sulfate C8H11NO5S 233.0358 NA KEGG NA NA +HMDB04148 Dopamine 4-sulfate C8H11NO5S 233.0358 http://www.hmdb.ca/metabolites/HMDB04148 PFEM_hmdb_metabocards_blood NA blood +HMDB06275 Dopamine 3-O-sulfate C8H11NO5S 233.0358 http://www.hmdb.ca/metabolites/HMDB06275 PFEM_hmdb_metabocards_blood NA blood +HMDB04148 Dopamine 4-sulfate C8H11NO5S 233.0358 HMDB04148 PFEM_hmdb_metabocards_official NA NA +HMDB06275 Dopamine 3-O-sulfate C8H11NO5S 233.0358 HMDB06275 PFEM_hmdb_metabocards_official NA NA +MJ011925 3,5-Dihydro-3-methyl-2H-thiopyrano[4,3,2-cd]indole-2-carboxylic acid C12H11NO2S 233.051049 NA MeJP NA NA +MJ011926 Acitazanolast C9H7N5O3 233.054889 NA MeJP NA NA +MJ011927 Furalazine C9H7N5O3 233.054889 NA MeJP NA NA +MJ011928 Sepiapterin, 7,8-Didehydro, 2'-ketone C9H7N5O3 233.054889 NA MeJP NA NA +C08062 2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate C12H11NO4 233.0688 NA KEGG NA NA +C10654 Casimiroin C12H11NO4 233.0688 NA KEGG NA NA +MJ011929 2,3,4,7-Quinolinetetrol; 2,3-Methylene, 4,7-di-Me ether C12H11NO4 233.068807 NA MeJP NA NA +MJ011930 2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid, Et ester C12H11NO4 233.068807 NA MeJP NA NA +MJ011931 Casimiroin C12H11NO4 233.068807 NA MeJP NA NA +MJ011932 Mimosamycin C12H11NO4 233.068807 NA MeJP NA NA +MJ011933 Renierol C12H11NO4 233.068807 NA MeJP NA NA +MJ011934 4-Hydroxy-1-(3-mercapto-2-methyl-1-oxopropyl)proline C9H15NO4S 233.072178 NA MeJP NA NA +MJ011935 Marcophan C8H16N3OPS 233.075169 NA MeJP NA NA +MJ011936 Illukumbin, N-Me C13H15NOS 233.087434 NA MeJP NA NA +MJ011937 1-Isothiocyanato-8-(methylthio)octane; S-Oxide(R-) C10H19NOS2 233.090805 NA MeJP NA NA +HMDB01974 Dihydroxycoprostanoic acid C10H11N5O2 233.09126 http://www.hmdb.ca/metabolites/HMDB01974 HMDB NA NA +HMDB01974 Dihydroxycoprostanoic acid C10H11N5O2 233.09126 HMDB01974 PFEM_hmdb_metabocards_official NA NA +MJ011938 ?-Amino-?-methyl-4-(1H-tetrazol-5-yl)benzeneacetic acid C10H11N5O2 233.091274 NA MeJP NA NA +MJ011939 Lomustine C9H16ClN3O2 233.093104 NA MeJP NA NA +MJ011940 3,2':4',3''-Terpyridine C15H11N3 233.095297 NA MeJP NA NA +PJ000069 SQ C8H15N3O5 233.1012 NA PeJP NA NA +MJ011941 Fludorex C11H14F3NO 233.102748 NA MeJP NA NA +3487 ACE inhibitor from sake lees VWY 233.105 MH2+ Inhouse_peptide NA peptide +MJ011942 5-Hydroxy-2-methyl-3-indolecarboxylic acid; N-Me, Et ester C13H15NO3 233.105193 NA MeJP NA NA +MJ011943 6,8-Dimethoxy-1,3-dimethylisoquinoline; 1''-Hydroxy C13H15NO3 233.105193 NA MeJP NA NA +MJ011944 Apiodionene C13H15NO3 233.105193 NA MeJP NA NA +MJ011945 Citaldoxime C13H15NO3 233.105193 NA MeJP NA NA +MJ011946 Erythrinarbine C13H15NO3 233.105193 NA MeJP NA NA +MJ011947 Norsecurinine, 4?-Methoxy C13H15NO3 233.105193 NA MeJP NA NA +MJ011948 Phyllantidine C13H15NO3 233.105193 NA MeJP NA NA +MJ011949 Rubesamide C13H15NO3 233.105193 NA MeJP NA NA +MJ011950 Securinine, 4-Hydroxy C13H15NO3 233.105193 NA MeJP NA NA +MJ011951 Suffruticodine C13H15NO3 233.105193 NA MeJP NA NA +MJ011952 ar-Trimethoxy-1-methylisoquinoline C13H15NO3 233.105193 NA MeJP NA NA +MJ011953 5,6,7-Isoquinolinetriol; N,O,O,O-Tetra-Me C13H16NO3(+) 233.105193 NA MeJP NA NA +C04337 Ngamma-Nitro-L-arginine methyl ester C7H15N5O4 233.1124 NA KEGG NA NA +C04338 Oligosaccharide(terminal -ManGlcNAc) C7H15N5O4 233.1124 NA KEGG NA NA +C04339 Peptide N-(ADP-D-ribosyl)diphthamide C29H44N11O16P2R2 233.1124 NA KEGG NA NA +C04340 Phospholipid cyclopropane fatty acid C15H24O8PR3 233.1124 NA KEGG NA NA +C04341 Ribosomal-protein N-acetyl-L-alanine C5H9N2O2R 233.1124 NA KEGG NA NA +C04342 Soluble variant-surface-glycoprotein C58H99N3O48PR 233.1124 NA KEGG NA NA +MJ011954 Hopantenic acid C10H19NO5 233.126322 NA MeJP NA NA +HMDB13125 Hydroxypropionylcarnitine C10H19NO5 233.126328 NA HMDB2010 NA NA +MJ011955 1'-Methylzeatin C11H15N5O 233.12766 NA MeJP NA NA +MJ011956 Ganoderpurine C11H15N5O 233.12766 NA MeJP NA NA +MJ011957 Lysinoalanine C9H19N3O4 233.137556 NA MeJP NA NA +PJ000070 SK C9H19N3O4 233.1376 NA PeJP NA NA +MJ011958 1,2-Epoxy-2-methyl-4-(N-methyltyraminyl)-3-butene C14H19NO2 233.141578 NA MeJP NA NA +MJ011959 2-Methyl-4-(3-indolyl)-1-butanol, N-Methoxy C14H19NO2 233.141578 NA MeJP NA NA +MJ011960 2-Phenyl-2-(2-piperidinyl)acetic acid, Me ester C14H19NO2 233.141578 NA MeJP NA NA +MJ011961 Piperoxan C14H19NO2 233.141578 NA MeJP NA NA +MJ011962 Pleurospermine; Demethoxy, N-Me C14H19NO2 233.141578 NA MeJP NA NA +C07196 Methylphenidate C14H19NO2 233.1416 NA KEGG NA NA +C07197 Transferred to D00407 C14H19NO2 233.1416 NA KEGG NA NA +C17233 Hexahomomethionine C11H23NO2S 233.145 NA KEGG NA NA +CJpos0598 Butyrylcarnitine [(M+H)]+ (18O) C11H22NO318O 233.150775 C18rt(min)=4.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0598 Butyrylcarnitine [(M+H)]+ (18O) C11H22NO318O 233.150775 C18rt(min)=4.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +HMDB11140 Hypusine C10H23N3O3 233.173935 NA HMDB2010 NA NA +MJ011963 Hypusine C10H23N3O3 233.173941 NA MeJP NA NA +MJ011964 2,4,6-Decatrienoic acid dehydropiperidide, 6,7-Dihydro C15H23NO 233.177964 NA MeJP NA NA +MJ011965 ?-Nupharidine C15H23NO 233.177964 NA MeJP NA NA +MJ011966 Deoxynupharidine C15H23NO 233.177964 NA MeJP NA NA +MJ011967 Eremophilene lactam C15H23NO 233.177964 NA MeJP NA NA +MJ011968 Mantella Alkaloid 235C; Ketone C15H23NO 233.177964 NA MeJP NA NA +MJ011969 Meptazinol C15H23NO 233.177964 NA MeJP NA NA +MJ011970 Nupharamine, 3''-Deoxy, 2'',3''-didehydro C15H23NO 233.177964 NA MeJP NA NA +MJ011971 Nupharamine, 3-Epimer, 3''-deoxy, 2'',3''-didehydro C15H23NO 233.177964 NA MeJP NA NA +MJ011972 Rotundine B C15H23NO 233.177964 NA MeJP NA NA +MJ011973 ?-Nupharidine C15H23NO 233.177964 NA MeJP NA NA +C09945 Deoxynupharidine C15H23NO 233.178 NA KEGG NA NA +MJ011974 1-Ethyl-4-(4-pentynyl)quinolizidine C16H27N 233.214349 NA MeJP NA NA +7771 PKC inhibitor HKPS 233.618 MH2+ Inhouse_peptide NA peptide +7809 ACE inhibitor from porcine plasma GVHGV 233.618 MH2+ Inhouse_peptide NA peptide +8065 synthetic peptide RHR 233.63 MH2+ Inhouse_peptide NA peptide +MJ011975 Silver(I) iodide AgI 233.809561 NA MeJP NA NA +MJ011976 Hexachloroethane C2Cl6 233.813116 NA MeJP NA NA +C14336 1,2-Dibromo-3-chloropropane C3H5Br2Cl 233.8447 NA KEGG NA NA +MJ011977 1-Bromo-2-iodoethane C2H4BrI 233.854106 NA MeJP NA NA +MJ011978 Barium sulfate BaO4S 233.85697 NA MeJP NA NA +MJ011979 1,2,3,5,6,8-Hexathionane C3H6S6 233.879374 NA MeJP NA NA +MJ011980 1,2,4,5,7,8-Hexathionane C3H6S6 233.879374 NA MeJP NA NA +MJ011981 Aluminium magnesium silicate (Al2Mg(SiO4)2) Al2MgO8Si 233.884362 NA MeJP NA NA +C13556 Monobasic calcium phosphate 2H2PO4 233.9007 NA KEGG NA NA +C13557 Transferred to D02051 2H2PO4 233.9007 NA KEGG NA NA +MJ011982 Mercury(II) sulfide (HgS) HgS 233.942696 NA MeJP NA NA +MetaCyc02159 2-iodophenol methyl ether [] C7H7O1I1 233.954158 NA metacyc NA NA +C03575 2-Iodophenol methyl ether C7H7IO 233.9542 NA KEGG NA NA +MJ011983 6-Bromo-1H-indole-3-acetic acid; Nitrile C10H7BrN2 233.97926 NA MeJP NA NA +MJ011984 Iron(II) lactate C6H10FeO6 233.98268 NA MeJP NA NA +C17382 Ferrous lactate C6H10FeO6 233.9827 NA KEGG NA NA +MJ011985 2,3,6-Trihydroxybenzaldehyde; 2-Sulfate C7H6O7S 233.983423 NA MeJP NA NA +C11020 2,4-DP C9H8Cl2O3 233.9851 NA KEGG NA NA +MJ011986 4-Chloro-3-sulfobenzoic acid; Diamide C7H7ClN2O3S 233.98659 NA MeJP NA NA +MJ011987 1-Chloro-6-(5-ethynyl-2-thienyl)-3,5-hexadiyn-2-ol C12H7ClOS 233.990613 NA MeJP NA NA +MJ011988 4-(5-Butadiynyl-2-thienyl)-1-chloro-3-butyn-2-ol C12H7ClOS 233.990613 NA MeJP NA NA +MJ011989 Helitenuin C12H7ClOS 233.990613 NA MeJP NA NA +C14514 Chinomethionat C10H6N2OS2 233.9922 NA KEGG NA NA +C15250 3-(3,4-Dichlorophenyl)-1-hydroxy-1-methylurea C8H8Cl2N2O2 233.9963 NA KEGG NA NA +MJ011990 Bromacrylide C7H11BrN2O2 234.00039 NA MeJP NA NA +MJ011991 2-Amino-6-(trifluoromethoxy)benzothiazole C8H5F3N2OS 234.007468 NA MeJP NA NA +C07937 Riluzole C8H5F3N2OS 234.0075 NA KEGG NA NA +C07938 Transferred to D00776 C8H5F3N2OS 234.0075 NA KEGG NA NA +C15242 8-Chloro-2,7-dibenzofurandiol C12H7ClO3 234.0084 NA KEGG NA NA +C04486 5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene C12H10OS2 234.0173 NA KEGG NA NA +C04487 5-(D-Galactosyloxy)-L-lysine-procollagen C13H23N3O8R2 234.0173 NA KEGG NA NA +MJ011992 4-[2,2'-Bithiophen-5-yl]-3-butyn-1-ol C12H10OS2 234.017306 NA MeJP NA NA +MJ011993 5'-(1-Propynyl)[2,2'-bithiophene]-5-carboxylic acid; 1''-Alcohol C12H10OS2 234.017306 NA MeJP NA NA +MJ011994 ?-Methyl-5-(2-thienylethynyl)-2-thiophenemethanol C12H10OS2 234.017306 NA MeJP NA NA +MetaCyc02160 5-(4-hydroxybut-1-ynyl)-2,2'-bithiophene [] C12H10O1S2 234.017306 NA metacyc NA NA +MJ011995 Ajoene C9H14OS3 234.020677 NA MeJP NA NA +C16757 (Z)-Ajoene C9H14OS3 234.0207 NA KEGG NA NA +C16758 (E)-Ajoene C9H14OS3 234.0207 NA KEGG NA NA +MJ011996 3-Bromo-2-nonenoic acid C9H15BrO2 234.025542 NA MeJP NA NA +MJ011997 Cyclophostin C8H11O6P 234.029324 NA MeJP NA NA +JH130 Hydroferulic acid [M+K]+ NA 234.0295 12.75 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH130 Hydroferulic acid [M+K]+ NA 234.0295 12.75 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH130 Hydroferulic acid [M+K]+ NA 234.0295 12.75 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH130 Hydroferulic acid [M+K]+ NA 234.0295 12.75 Inhousejuil11 NA NA +CJneg0439 1,7-dimethyluric acid [(M+Cl)]- (37Cl) C7H8Cl037ClN4O3 234.033925 C18rt(min)=4.96 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0439 1,7-dimethyluric acid [(M+Cl)]- (37Cl) C7H8Cl037ClN4O3 234.033925 C18rt(min)=4.96 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MetaCyc02161 2'-hydroxybiphenyl-2-sulfinate [HBPSi;2-(2-hydroxyphenyl)benzenesulfinate;] C12H10O3S1 234.035065 77136-31-3 metacyc NA NA +C06742 2'-Hydroxybiphenyl-2-sulfinate C12H10O3S 234.0351 NA KEGG NA NA +C06743 Poly(ADPribose) C12H10O3S 234.0351 NA KEGG NA NA +C06744 3-Deoxyoctulosonyl-lipopolysaccharide C12H10O3S 234.0351 NA KEGG NA NA +MJ011998 Pterulone C13H11ClO2 234.044757 NA MeJP NA NA +C07731 2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate C12H10O5 234.0528 NA KEGG NA NA +MJ011999 2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate C12H10O5 234.052823 NA MeJP NA NA +MJ012000 2,3,5-Trihydroxy-7-methyl-1,4-naphthoquinone; 3-Me ether C12H10O5 234.052823 NA MeJP NA NA +MJ012001 2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid, 2,3-Didehydro C12H10O5 234.052823 NA MeJP NA NA +MJ012002 2,5,7-Trihydroxy-1,4-naphthoquinone; 2,7-Di-Me ether C12H10O5 234.052823 NA MeJP NA NA +MJ012003 2-Ethyl-3,5,8-trihydroxy-1,4-naphthoquinone C12H10O5 234.052823 NA MeJP NA NA +MJ012004 3,5,6-Trihydroxy-2-methyl-1,4-naphthoquinone; 5-Me ether C12H10O5 234.052823 NA MeJP NA NA +MJ012005 3-Hydroxy-4-(3,4-methylenedioxybenzyl)-2(5H)-furanone C12H10O5 234.052823 NA MeJP NA NA +MJ012006 4,6,7-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; 6,7-Methylene, 4-Me ether C12H10O5 234.052823 NA MeJP NA NA +MJ012007 4-Acetyl-6,8-dihydroxy-5-methyl-1H-2-benzopyran-1-one C12H10O5 234.052823 NA MeJP NA NA +MJ012008 5,7,8-Trihydroxy-2-methyl-1,4-naphthoquinone; 8-Me ether C12H10O5 234.052823 NA MeJP NA NA +MJ012009 5-(2,5-Dihydroxyphenyl)-3-furancarboxylic acid; Me ester C12H10O5 234.052823 NA MeJP NA NA +MJ012010 6,7,8-Trihydroxy-3-methyl-1H-2-benzopyran-1-one; 7,8-Methylene, 6-Me C12H10O5 234.052823 NA MeJP NA NA +MJ012011 6-Ethyl-2,5-dihydroxy-1,4-naphthoquinone; 8-Hydroxy C12H10O5 234.052823 NA MeJP NA NA +MJ012012 6-Formyl-5,7-dimethoxy-2H-1-benzopyran-2-one C12H10O5 234.052823 NA MeJP NA NA +MJ012013 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; Ac C12H10O5 234.052823 NA MeJP NA NA +MJ012014 8-Acetyl-6,7-dihydroxycoumarin; 6-Me ether C12H10O5 234.052823 NA MeJP NA NA +MJ012015 Armillarisin A C12H10O5 234.052823 NA MeJP NA NA +MJ012016 Cirsiumaldehyde C12H10O5 234.052823 NA MeJP NA NA +MJ012017 Mangcoumarin C12H10O5 234.052823 NA MeJP NA NA +MJ012018 Murraxonin C12H10O5 234.052823 NA MeJP NA NA +MJ012019 Murrayacarpin A; 5-Methoxy, 1'-aldehyde C12H10O5 234.052823 NA MeJP NA NA +MJ012020 1-Phenyl-4-methylsulfonyl-3-hexen-1-yne C13H14O2S 234.07145 NA MeJP NA NA +MJ012021 2-(2-Thienylmethylene)-1,6-dioxaspiro[4.5]dec-3-ene C13H14O2S 234.07145 NA MeJP NA NA +MJ012022 2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene C13H14O2S 234.07145 NA MeJP NA NA +MJ012023 Amplectol C13H14O2S 234.07145 NA MeJP NA NA +MJ012024 Chaetantherol C13H14O2S 234.07145 NA MeJP NA NA +MJ012025 Repthienynol C13H14O2S 234.07145 NA MeJP NA NA +MetaCyc02162 (-)threo-iso(homo)3citrate [(-)threo-1-hydroxy-1,2,6-hexanetricarboxylic acid;(-)threo-1-hydroxy-1,2,6-hexanetricarboxylate;] C9H14O7 234.073953 NA metacyc NA NA +MetaCyc02163 (R)-(homo)3citrate [(R)-2-hydroxy-1,2,6-hexanetricarboxylic acid;(R)-2-hydroxy-1,2,6-hexanetricarboxylate;] C9H14O7 234.073953 NA metacyc NA NA +C16598 (R)-(Homo)3-citrate C9H14O7 234.074 NA KEGG NA NA +C16600 1-Hydroxyhexane-1,2,6-tricarboxylate C9H14O7 234.074 NA KEGG NA NA +8330 Stimulating vasoactive substance release SE 234.074 NA ;SYN:(-)-Pipecolate; (-)-Pipecolic acid; (S)-(-)-2-Piperidinecarboxylate; (S)-(-)-2-Piperidinecarboxylic acid; (S)-(-)-Pipecolate; (S)-(-)-Pipecolic acid; (S)-2-Piperidinecarboxylate; (S)-2-Piperidinecarboxylic acid; (S)-Pipecolate; (S)-Pipecolic acid; (S)-Pipecolinate; (S)-Pipecolinic acid; (S)-Piperidine-2-carboxylate; (S)-Piperidine-2-carboxylic acid; L-(-)-Pipecolate; L-(-)-Pipecolic acid; L-Homoproline; L-Pipecolate; L-Pipecolic acid; L-Pipecolinate; L-Pipecolinic acid; L-Piperidine-2-carboxylate; L-Piperidine-2-carboxylic acidH2Blood Inhouse_peptide NA peptide +MJ012026 3-Methyl-2-quinoxalinecarboxylic acid; 1,4-Dioxide, hydrazide C10H10N4O3 234.07529 NA MeJP NA NA +MJ012027 6-(1-Oxopropyl)-2,4(1H,3H)-pteridinedione; 3-Me C10H10N4O3 234.07529 NA MeJP NA NA +MJ012028 6-Acetyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione C10H10N4O3 234.07529 NA MeJP NA NA +MJ012029 Indeno[1,2,3-ij][2,7]naphthyridine; 3-Methoxy C15H10N2O 234.079312 NA MeJP NA NA +MJ012030 Norisotuboflavine C15H10N2O 234.079312 NA MeJP NA NA +MJ012031 2-Amino-2-deoxygalacturonic acid, N-Ac, amide C8H14N2O6 234.085186 NA MeJP NA NA +MJ012032 N-?-Glutamylserine; L-L-form C8H14N2O6 234.085186 NA MeJP NA NA +HMDB11169 L-beta-aspartyl-L-threonine C8H14N2O6 234.08519 NA HMDB2010 NA NA +PJ000071 SE C8H14N2O6 234.0852 NA PeJP NA NA +C10426 1'-Acetoxychavicol acetate C13H14O4 234.0892 NA KEGG NA NA +C17917 Coixinden B C13H14O4 234.0892 NA KEGG NA NA +MJ012033 1-(4-Hydroxyphenyl)-2-propen-1-ol, Di-Ac C13H14O4 234.089208 NA MeJP NA NA +MJ012034 1-Acetyl-1,3,5-trihydroxy-1H-indene; 3,5-Di-Me ether C13H14O4 234.089208 NA MeJP NA NA +MJ012035 13-Hydroxyripariochromene A; Demethoxy C13H14O4 234.089208 NA MeJP NA NA +MJ012036 2,3-Dihydro-3-hydroxy-2-isopropenyl-5-benzofurancarboxylic acid, Me ester C13H14O4 234.089208 NA MeJP NA NA +MJ012037 2,3-Dihydro-6-(hydroxyacetyl)-2,2-dimethyl-4H-1-benzopyran-4-one C13H14O4 234.089208 NA MeJP NA NA +MJ012038 2,3-Dihydro-6-hydroxy-5-(hydroxyacetyl)-2-isopropenylbenzofuran C13H14O4 234.089208 NA MeJP NA NA +MJ012039 2-Isopropylidene-4,6-dimethoxy-3(2H)-benzofuranone C13H14O4 234.089208 NA MeJP NA NA +MJ012040 2-Undecene-4,6-diyne-1,11-dioic acid, Di-Me ester C13H14O4 234.089208 NA MeJP NA NA +MJ012041 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-carboxylic acid; Me ester C13H14O4 234.089208 NA MeJP NA NA +MJ012042 3-(1-Butenyl)-1H-2-benzopyran-1-one, 1',2'-Dihydro, 1',2'-dihydroxy C13H14O4 234.089208 NA MeJP NA NA +MJ012043 3-Ethyl-5,7-dihydroxy-4H-1-benzopyran-4-one; Di-Me ether C13H14O4 234.089208 NA MeJP NA NA +MJ012044 4,15-Dinor-1,11(13)-xanthadiene-3,5:12,8-diolide C13H14O4 234.089208 NA MeJP NA NA +MJ012045 4,7-Dihydroxy-3,5-dimethyl-2H-1-benzopyran-2-one; Di-Me ether C13H14O4 234.089208 NA MeJP NA NA +MJ012046 4-(2-Propenyl)-1,2-benzenediol; Di-Ac C13H14O4 234.089208 NA MeJP NA NA +MJ012047 4-Hydroxy-3-(3-methyl-2-butenoyl)benzoic acid; Me ester C13H14O4 234.089208 NA MeJP NA NA +MJ012048 4-Hydroxy-5-benzofuranpropanoic acid; Et ester C13H14O4 234.089208 NA MeJP NA NA +MJ012049 5,7-Dihydroxy-1(3H)-isobenzofuranone; 7-(3-Methyl-2-butenyl) ether C13H14O4 234.089208 NA MeJP NA NA +MJ012050 5,7-Dihydroxy-2,6,8-trimethyl-4H-1-benzopyran-4-one; 7-Me ether C13H14O4 234.089208 NA MeJP NA NA +MJ012051 5,7-Dihydroxy-2,8-dimethyl-4H-1-benzopyran-4-one; Di-Me ether C13H14O4 234.089208 NA MeJP NA NA +MJ012052 5,7-Dihydroxy-2-isopropyl-4H-1-benzopyran-4-one; 7-Me ether C13H14O4 234.089208 NA MeJP NA NA +MJ012053 5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran C13H14O4 234.089208 NA MeJP NA NA +MJ012054 5-Acetyl-2,3-dihydro-6,7-dihydroxy-2-isopropenylbenzofuran C13H14O4 234.089208 NA MeJP NA NA +MJ012055 5-Acetyl-2-(1-hydroxy-1-methylethyl)benzofuran; 2''-Hydroxy C13H14O4 234.089208 NA MeJP NA NA +MJ012056 5-Acetyl-6-hydroxy-2-isopropyl-3(2H)-benzofuranone C13H14O4 234.089208 NA MeJP NA NA +MJ012057 5-Hydroxy-6-(hydroxyacetyl)-2,2-dimethyl-2H-1-benzopyran C13H14O4 234.089208 NA MeJP NA NA +MJ012058 6-Acetyl-2,3-dihydro-2,2-dimethyl-4H-1-benzopyran-4-one; 1'?-Hydroxy C13H14O4 234.089208 NA MeJP NA NA +MJ012059 6-Acetyl-5-hydroxy-2-hydroxymethyl-2-methylchromene C13H14O4 234.089208 NA MeJP NA NA +MJ012060 6-Acetyl-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran C13H14O4 234.089208 NA MeJP NA NA +MJ012061 6-Ethenyl-5,7,8-trihydroxy-2,2-dimethyl-2H-1-benzopyran C13H14O4 234.089208 NA MeJP NA NA +MJ012062 6-Hydroxy-5-benzofuranpropanoic acid; Et ester C13H14O4 234.089208 NA MeJP NA NA +MJ012063 6-Hydroxytremetone, 3'-Hydroxy C13H14O4 234.089208 NA MeJP NA NA +MJ012064 7-Acetyl-2,3-dihydro-2-isopropenyl-3,6-benzofurandiol C13H14O4 234.089208 NA MeJP NA NA +MJ012065 7-Acetyl-3,4-dihydro-3,6-dihydroxy-8-methyl-1(2H)-naphthalenone C13H14O4 234.089208 NA MeJP NA NA +MJ012066 7-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid; Me ether C13H14O4 234.089208 NA MeJP NA NA +MJ012067 7-Hydroxy-6-hydroxyacetyl-2,2-dimethyl-2H-benzopyran C13H14O4 234.089208 NA MeJP NA NA +MJ012068 7-Hydroxytoxol C13H14O4 234.089208 NA MeJP NA NA +MJ012069 8-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid; Me ester C13H14O4 234.089208 NA MeJP NA NA +MJ012070 Aloesol C13H14O4 234.089208 NA MeJP NA NA +MJ012071 Altholactone; 6,7-Dihydro C13H14O4 234.089208 NA MeJP NA NA +MJ012072 Antibiotic LL-D253? C13H14O4 234.089208 NA MeJP NA NA +MJ012073 Citreopyrones; Citreopyrone E C13H14O4 234.089208 NA MeJP NA NA +MJ012074 Goniodiol C13H14O4 234.089208 NA MeJP NA NA +MJ012075 Goniopypyrone; 5-Deoxy C13H14O4 234.089208 NA MeJP NA NA +MJ012076 Gynunone C13H14O4 234.089208 NA MeJP NA NA +MJ012077 Pyrenochaetic acid A C13H14O4 234.089208 NA MeJP NA NA +MJ012078 Sclerin C13H14O4 234.089208 NA MeJP NA NA +MJ012079 Tetrahydro-6-(4-hydroxyphenyl)-2H-pyran-2-one; Ac C13H14O4 234.089208 NA MeJP NA NA +MJ012080 Viscidone C13H14O4 234.089208 NA MeJP NA NA +MJ012081 4,7-Decadien-1-ol, O-Sulfate C10H18O4S 234.092579 NA MeJP NA NA +HMDB02339 5-Methoxytryptophan C12H14N2O3 234.10043 http://www.hmdb.ca/metabolites/HMDB02339 HMDB NA NA +HMDB02339 5-Methoxytryptophan C12H14N2O3 234.10043 HMDB02339 PFEM_hmdb_metabocards_official NA NA +MJ012082 2-(2,3-Dihydro-2-methoxy-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole C12H14N2O3 234.100442 NA MeJP NA NA +MJ012083 2-Amino-2-hydroxy-3-(1H-indol-3-yl)propanoic acid, Me ester C12H14N2O3 234.100442 NA MeJP NA NA +MJ012084 5-(2-Cyclopenten-1-yl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione C12H14N2O3 234.100442 NA MeJP NA NA +MJ012085 Deboxamet C12H14N2O3 234.100442 NA MeJP NA NA +MJ012086 Diproqualone C12H14N2O3 234.100442 NA MeJP NA NA +HMDB02339 5-Methoxytryptophan C12H14N2O3 234.100449 NA HMDB2010 NA NA +PJ000072 CL C9H18N2O3S 234.1038 NA PeJP NA NA +CJneg0440 Azelaic acid [(M-H)+(HCOOH)]- C10H17O6 234.110925 C18rt(min)=7.01 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0440 Azelaic acid [(M-H)+(HCOOH)]- C10H17O6 234.110925 C18rt(min)=7.01 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ012087 Cyclo(histidylproline) C11H14N4O2 234.111675 NA MeJP NA NA +MJ012088 Epirizole C11H14N4O2 234.111675 NA MeJP NA NA +MJ012089 2,6-Diamino-5-hydroxy-5-(hydroxymethyl)hexanoic acid; N6-Ac C9H18N2O5 234.121571 NA MeJP NA NA +MJ012090 2,6-Diamino-7-hydroxynonanedioic acid C9H18N2O5 234.121571 NA MeJP NA NA +C12025 2,6-Diamino-7-hydroxy-azelaic acid C9H18N2O5 234.1216 NA KEGG NA NA +MJ012091 1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone; Me ether C14H18O3 234.125594 NA MeJP NA NA +MJ012092 1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-2-buten-1-one; 1''-Alcohol, 2-Me ether C14H18O3 234.125594 NA MeJP NA NA +MJ012093 1-Hydroxy-13-nor-6,9-eremophiladiene-8,11-dione C14H18O3 234.125594 NA MeJP NA NA +MJ012094 13-Nor-4-oxo-7(11)-pseudoguaien-12,6-olide C14H18O3 234.125594 NA MeJP NA NA +MJ012095 15-Nor-1-oxo-7-drimene-11,12-dial C14H18O3 234.125594 NA MeJP NA NA +MJ012096 15-Nor-4-oxo-1(5),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro C14H18O3 234.125594 NA MeJP NA NA +MJ012097 2-Nor-1-oxo-3,11(13)-elemadien-12,6-olide; 6?-form C14H18O3 234.125594 NA MeJP NA NA +MJ012098 3-(4-Hydroxyphenyl)-2-propenal, 4'-O-(4-Hydroxy-3-methylbutyl) C14H18O3 234.125594 NA MeJP NA NA +MJ012099 4,12-Tetradecadiene-8,10-diyne-1,6,7-triol C14H18O3 234.125594 NA MeJP NA NA +MJ012100 4-(1,2-Epoxypropyl)phenol, 3-Methylbutanoyl C14H18O3 234.125594 NA MeJP NA NA +MJ012101 4-Hydroxy-3-(3-hydroxy-3-methyl-1-butenyl)acetophenone, 3'-Me ether C14H18O3 234.125594 NA MeJP NA NA +MJ012102 4-Hydroxy-3-(3-hydroxy-3-methyl-1-butenyl)acetophenone, 4-Me ether C14H18O3 234.125594 NA MeJP NA NA +MJ012103 4-Hydroxy-3-(3-methyl-2-butenyl)benzoic acid; Et ester C14H18O3 234.125594 NA MeJP NA NA +MJ012104 4-Hydroxy-3-(4-hydroxy-3-methyl-2-butenyl)acetophenone, 4'-Me ether C14H18O3 234.125594 NA MeJP NA NA +MJ012105 5,12-Tetradecadiene-8,10-diyne-1,7,14-triol C14H18O3 234.125594 NA MeJP NA NA +MJ012106 5-(1,3-Dihydroxypropyl)-2-isopropenyl-2,3-dihydrobenzofuran C14H18O3 234.125594 NA MeJP NA NA +MJ012107 5-(1-Hydroxyethyl)-6-methoxy-2,2-dimethylchromene C14H18O3 234.125594 NA MeJP NA NA +MJ012108 6,12-Tetradecadiene-8,10-diyne-1,3,14-triol C14H18O3 234.125594 NA MeJP NA NA +MJ012109 6,12-Tetradecadiene-8,10-diyne-1,5,14-triol C14H18O3 234.125594 NA MeJP NA NA +MJ012110 6,13-Tetradecadiene-8,10-diyne-1,5,12-triol C14H18O3 234.125594 NA MeJP NA NA +MJ012111 6-(1,3-Dimethyl-1,3-pentadienyl)-2-methoxy-3-methyl-4H-pyran-4-one C14H18O3 234.125594 NA MeJP NA NA +MJ012112 6-(1,3-Dimethyl-1,3-pentadienyl)-4-methoxy-3-methyl-2H-pyran-2-one C14H18O3 234.125594 NA MeJP NA NA +MJ012113 Alboatrin C14H18O3 234.125594 NA MeJP NA NA +MJ012114 Cyercene 2 C14H18O3 234.125594 NA MeJP NA NA +MJ012115 Cyercene 4 C14H18O3 234.125594 NA MeJP NA NA +MJ012116 Cyercene B C14H18O3 234.125594 NA MeJP NA NA +MJ012117 Encecalinol C14H18O3 234.125594 NA MeJP NA NA +MJ012118 Guayulone C14H18O3 234.125594 NA MeJP NA NA +MJ012119 Isopterosin C C14H18O3 234.125594 NA MeJP NA NA +MJ012120 Neotriptonolide C14H18O3 234.125594 NA MeJP NA NA +MJ012121 Oreadone; 2,3-Didehydro C14H18O3 234.125594 NA MeJP NA NA +MJ012122 Pterosin C C14H18O3 234.125594 NA MeJP NA NA +MJ012123 Pterosin M C14H18O3 234.125594 NA MeJP NA NA +MJ012124 Pterosin N C14H18O3 234.125594 NA MeJP NA NA +MJ012125 Pterosin P C14H18O3 234.125594 NA MeJP NA NA +MJ012126 Sonorol C14H18O3 234.125594 NA MeJP NA NA +MJ012127 Sorbicillin; 2',3'-Dihydro C14H18O3 234.125594 NA MeJP NA NA +MJ012128 Stiripentol C14H18O3 234.125594 NA MeJP NA NA +MJ012129 p-Mentha-1,3,5,8(10)-tetraene-3,9-diol; 9-(2-Methylpropanoyl) C14H18O3 234.125594 NA MeJP NA NA +C18036 Strigolactone ABC-rings C14H18O3 234.1256 NA KEGG NA NA +C11200 Lenacil C13H18N2O2 234.1368 NA KEGG NA NA +MJ012130 3-[(Dimethylamino)methyl]-1,5-dimethoxyindole C13H18N2O2 234.136827 NA MeJP NA NA +MJ012131 3-[(Dimethylamino)methyl]-5,7-dimethoxyindole C13H18N2O2 234.136827 NA MeJP NA NA +MJ012132 4-Coumaroylputrescine C13H18N2O2 234.136827 NA MeJP NA NA +MJ012133 Bufotenine; Me ether, Nb-oxide C13H18N2O2 234.136827 NA MeJP NA NA +MJ012134 Cytisine, N-(2-Hydroxyethyl) C13H18N2O2 234.136827 NA MeJP NA NA +MJ012135 Fungerin C13H18N2O2 234.136827 NA MeJP NA NA +MJ012136 Visoltricin C13H18N2O2 234.136827 NA MeJP NA NA +MJ012137 7-Isopropyl-1-methylphenanthrene C18H18 234.14085 NA MeJP NA NA +MetaCyc02164 benzoylagmatine [] C12H18N4O1 234.148061 NA metacyc NA NA +C02253 Benzoylagmatine C12H18N4O 234.1481 NA KEGG NA NA +C02255 CDP-acylglycerol C13H20N3O14P2R 234.1481 NA KEGG NA NA +CJpos0599 Butyrylcarnitine [(M+H)]+ (13C+18O) C1013CH22NO318O 234.154075 C18rt(min)=4.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0599 Butyrylcarnitine [(M+H)]+ (13C+18O) C1013CH22NO318O 234.154075 C18rt(min)=4.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0600 Valine Betaine [2M+H]+ C10H23O4N2 234.157375 C18rt(min)=1.03 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0600 Valine § Betaine [2M+H]+ C10H23O4N2 234.157375 C18rt(min)=1.03 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ012138 1(10),11(13)-Eremophiladien-12,8-olide, 11?,13-Dihydro C15H22O2 234.161979 NA MeJP NA NA +MJ012139 1(10),11(13)-Eremophiladien-12-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012140 1(10),11(13)-Guaiadien-12,8-olide, 11?,13-Dihydro C15H22O2 234.161979 NA MeJP NA NA +MJ012141 1(10),11-Guaiadien-14-ol, 14-Carboxylic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012142 1(10),11-Spirovetivadien-2-one; 13-Hydroxy C15H22O2 234.161979 NA MeJP NA NA +MJ012143 1(10),11-Spirovetivadien-2-one; 14-Hydroxy C15H22O2 234.161979 NA MeJP NA NA +MJ012144 1(10),4,11(13)-Germacratrien-12,8-olide, 11?,13-Dihydro C15H22O2 234.161979 NA MeJP NA NA +MJ012145 1(10),4-Bicyclogermacradien-13-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012146 1(10),4-Cadinadien-14-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012147 1(10),4-Cadinadien-15-ol; 1?,10?-Epoxide, 15-aldehyde C15H22O2 234.161979 NA MeJP NA NA +MJ012148 1(10),4-Germacradien-12,6-olide C15H22O2 234.161979 NA MeJP NA NA +MJ012149 1(10),6,8-Cadinatriene-2,3-diol C15H22O2 234.161979 NA MeJP NA NA +MJ012150 1(10),7(11)-Eremophiladien-12-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012151 1(10),8-Aristoladien-2-one; 8,9-Dihydro, 9?-hydroxy C15H22O2 234.161979 NA MeJP NA NA +MJ012152 1(10)-Eremophilen-12,6-olide C15H22O2 234.161979 NA MeJP NA NA +MJ012153 1(10)-Germacrene-5,8-dione, 7,11-Didehydro C15H22O2 234.161979 NA MeJP NA NA +MJ012154 1(5),7(11)-Xanthadiene-3,8-dione C15H22O2 234.161979 NA MeJP NA NA +MJ012155 1,10-Epoxy-4,7(11)-germacradien-9-one C15H22O2 234.161979 NA MeJP NA NA +MJ012156 1,10-Epoxy-4-bicyclogermacren-15-al C15H22O2 234.161979 NA MeJP NA NA +MJ012157 1,10-Epoxy-7(11)-eremophilen-8-one C15H22O2 234.161979 NA MeJP NA NA +MJ012158 1,10:7,10-Diepoxy-2,11-bisaboladiene C15H22O2 234.161979 NA MeJP NA NA +MJ012159 1,3,11(13)-Elematrien-12,8-olide, 11?,13-Dihydro C15H22O2 234.161979 NA MeJP NA NA +MJ012160 1,3,11(13)-Elematrien-12,8-olide, 11?,13-Dihydro C15H22O2 234.161979 NA MeJP NA NA +MJ012161 1,3,11(13)-Elematrien-12,8-olide, 11?,13-Dihydro C15H22O2 234.161979 NA MeJP NA NA +MJ012162 1,3,5,10-Bisabolatetraene-1,4-diol C15H22O2 234.161979 NA MeJP NA NA +MJ012163 1,3,5,10-Bisabolatetraene-8,9-diol C15H22O2 234.161979 NA MeJP NA NA +MJ012164 1,3,5,11-Bisabolatetraene-1,10-diol C15H22O2 234.161979 NA MeJP NA NA +MJ012165 1,3,5,11-Bisabolatetraene-2,10-diol C15H22O2 234.161979 NA MeJP NA NA +MJ012166 1,3,5,9-Bisabolatetraene-1,11-diol C15H22O2 234.161979 NA MeJP NA NA +MJ012167 1,3,5,9-Bisabolatetraene-2,11-diol C15H22O2 234.161979 NA MeJP NA NA +MJ012168 1,3,5-Herbertatriene-1,13-diol C15H22O2 234.161979 NA MeJP NA NA +MJ012169 1,3,5-Herbertatriene-1,15-diol C15H22O2 234.161979 NA MeJP NA NA +MJ012170 1,3,5-Herbertatriene, 2,3-Dihydroxy C15H22O2 234.161979 NA MeJP NA NA +MJ012171 1,3-Elemadien-12,6-olide C15H22O2 234.161979 NA MeJP NA NA +MJ012172 1,4(15)-Eudesmadien-12,8-olide, 1,2-Dihydro C15H22O2 234.161979 NA MeJP NA NA +MJ012173 1,9-Humuladiene-3,8-dione C15H22O2 234.161979 NA MeJP NA NA +MJ012174 1-(4-Hydroxyphenyl)-1-nonanone C15H22O2 234.161979 NA MeJP NA NA +MJ012175 1-Hydroxy-1,3,5-bisabolatrien-10-one C15H22O2 234.161979 NA MeJP NA NA +MJ012176 1-Hydroxy-2(9)-ceratopicen-8-one; 1?-form C15H22O2 234.161979 NA MeJP NA NA +MJ012177 1-Hydroxy-4(15),11-eudesmadien-3-one C15H22O2 234.161979 NA MeJP NA NA +MJ012178 1-Hydroxy-4,11-eudesmadien-3-one C15H22O2 234.161979 NA MeJP NA NA +MJ012179 1-Hydroxy-4,11-guaiadien-3-one C15H22O2 234.161979 NA MeJP NA NA +MJ012180 1-Hydroxy-4,6-eudesmadien-3-one C15H22O2 234.161979 NA MeJP NA NA +MJ012181 1-Hydroxy-5,7(11)-eudesmadien-12-al C15H22O2 234.161979 NA MeJP NA NA +MJ012182 1-Hydroxy-7(11),9-eremophiladien-8-one C15H22O2 234.161979 NA MeJP NA NA +MJ012183 10,14-Epoxy-1,4(15),5-germacratrien-9-one, 1,2-Dihydro C15H22O2 234.161979 NA MeJP NA NA +MJ012184 10-Hydroxy-3,7(14),11-bisabolatrien-2-one C15H22O2 234.161979 NA MeJP NA NA +MJ012185 10-Hydroxy-3-longipinen-5-one; 10?-form C15H22O2 234.161979 NA MeJP NA NA +MJ012186 10-Hydroxy-3-longipinen-5-one; 10?-form C15H22O2 234.161979 NA MeJP NA NA +MJ012187 10-Hydroxy-6-isodaucen-14-al; 10-Ketone C15H22O2 234.161979 NA MeJP NA NA +MJ012188 11-Eremophilene-2,9-dione C15H22O2 234.161979 NA MeJP NA NA +MJ012189 11-Hydroxy-3,5-eudesmadien-2-one C15H22O2 234.161979 NA MeJP NA NA +MJ012190 11-Hydroxy-4,6-guaiadien-3-one C15H22O2 234.161979 NA MeJP NA NA +MJ012191 11-Hydroxy-6,9-eremophiladien-8-one C15H22O2 234.161979 NA MeJP NA NA +MJ012192 12,13-Epoxy-9-trichothecene; 12?-form C15H22O2 234.161979 NA MeJP NA NA +MJ012193 12,14-Dihydroxy-3(15),6-caryophylladien-8-one, 12-Deoxy C15H22O2 234.161979 NA MeJP NA NA +MJ012194 12-Cyclocopacamphanol; 12-Carboxylic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012195 12-Hydroxy-1(10),11(13)-chiloscyphadien-7-one C15H22O2 234.161979 NA MeJP NA NA +MJ012196 12-Hydroxy-1(10),4,7(11)-germacratrien-8-one C15H22O2 234.161979 NA MeJP NA NA +MJ012197 12-Hydroxy-1(10),4-bicyclogermacradien-15-al C15H22O2 234.161979 NA MeJP NA NA +MJ012198 13-Hydroxy-2(12),9-trichodien-3-one C15H22O2 234.161979 NA MeJP NA NA +MJ012199 13-Hydroxy-6-protoilluden-8-one C15H22O2 234.161979 NA MeJP NA NA +MJ012200 14-Hydroxy-1,11-eudesmadien-3-one; 4?-form C15H22O2 234.161979 NA MeJP NA NA +MJ012201 15-Hydroxy-2,6,9-humulatrien-8-one C15H22O2 234.161979 NA MeJP NA NA +MJ012202 15-Hydroxy-3-longipinen-5-one C15H22O2 234.161979 NA MeJP NA NA +MJ012203 15-Hydroxy-4,10(14)-cadinadien-3-one C15H22O2 234.161979 NA MeJP NA NA +MJ012204 15-Hydroxy-4,11-muuroladien-3-one C15H22O2 234.161979 NA MeJP NA NA +MJ012205 2,10-Bisaboladiene-1,12-diol; 1-Ketone, 12-aldehyde C15H22O2 234.161979 NA MeJP NA NA +MJ012206 2,10-Bisaboladiene-1,9-dione C15H22O2 234.161979 NA MeJP NA NA +MJ012207 2,11-Dunniadien-15-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012208 2,6,10-Farnesatrien-1,15-olide C15H22O2 234.161979 NA MeJP NA NA +MJ012209 2,6,10-Farnesatriene-1,15-dial C15H22O2 234.161979 NA MeJP NA NA +MJ012210 2,6,9-Humulatrien-14-ol; 14-Aldehyde, 6?,7?-epoxide C15H22O2 234.161979 NA MeJP NA NA +MJ012211 2,6,9-Humulatrien-14-ol; 14-Carboxylic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012212 2,6,9-Humulatrien-8-ol, 2?,3?-Epoxide, ketone C15H22O2 234.161979 NA MeJP NA NA +MJ012213 2,7(14)-Illudadiene-10,15-diol C15H22O2 234.161979 NA MeJP NA NA +MJ012214 2-Hydroxy-1(10)-oplopene-4,9-dione; 2?-form, 2-Deoxy C15H22O2 234.161979 NA MeJP NA NA +MJ012215 2-Hydroxy-4,11(13)-eudesmadien-15-al; 2?-form C15H22O2 234.161979 NA MeJP NA NA +MJ012216 2-Hydroxy-6,11-cadinadien-3-one C15H22O2 234.161979 NA MeJP NA NA +MJ012217 2-Isocomen-13-ol; 13-Carboxylic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012218 2-Isopropyl-4-methylphenol; 3-Methylbutanoyl C15H22O2 234.161979 NA MeJP NA NA +MJ012219 2-Isopropyl-5-methylphenol; 2-Methylbutanoyl C15H22O2 234.161979 NA MeJP NA NA +MJ012220 2-Isopropyl-5-methylphenol; 3-Methylbutanoyl C15H22O2 234.161979 NA MeJP NA NA +MJ012221 2-Pinen-6-ol, Angeloyl C15H22O2 234.161979 NA MeJP NA NA +MJ012222 3(15),6-Caryophylladien-14-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012223 3(15),7-Caryophylladien-6-ol, 6-Ketone, 14-hydroxy C15H22O2 234.161979 NA MeJP NA NA +MJ012224 3(15)-Gymnomitren-12-ol; 12-Carboxylic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012225 3,11(13)-Eudesmadien-12,6-olide, 11?,13-Dihydro C15H22O2 234.161979 NA MeJP NA NA +MJ012226 3,11(13)-Eudesmadien-12,8-olide, 11?,13-Dihydro C15H22O2 234.161979 NA MeJP NA NA +MJ012227 3,11(13)-Eudesmadien-12-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012228 3,11(13)-Eudesmadiene-1,12-diol; 1?-form, 12-Aldehyde C15H22O2 234.161979 NA MeJP NA NA +MJ012229 3,11-Eudesmadien-15-al; Carboxylic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012230 3,12-Epoxycedrane, 12-Oxo C15H22O2 234.161979 NA MeJP NA NA +MJ012231 3,14-Calamenenediol C15H22O2 234.161979 NA MeJP NA NA +MJ012232 3,7(14),10-Bisabolatrien-2-one; 10,11-Epoxide C15H22O2 234.161979 NA MeJP NA NA +MJ012233 3,7-Bisaboladiene-2,8-dione C15H22O2 234.161979 NA MeJP NA NA +MJ012234 3,8-Calamenenediol C15H22O2 234.161979 NA MeJP NA NA +MJ012235 3,9,12-Pentadecatrien-1-yne-6,7-diol C15H22O2 234.161979 NA MeJP NA NA +MJ012236 3-Cucumene-5,8-dione; 5?-Alcohol C15H22O2 234.161979 NA MeJP NA NA +MJ012237 3-Cucumene-5,8-dione; 8?-Alcohol C15H22O2 234.161979 NA MeJP NA NA +MJ012238 3-Hydroxy-1(10),11-spirovetivadien-2-one C15H22O2 234.161979 NA MeJP NA NA +MJ012239 3-Hydroxy-1,5,7,10-farnesatetraen-9-one C15H22O2 234.161979 NA MeJP NA NA +MJ012240 3-Hydroxy-2(9)-illuden-8-one C15H22O2 234.161979 NA MeJP NA NA +MJ012241 3-Hydroxy-5-africanen-4-one C15H22O2 234.161979 NA MeJP NA NA +MJ012242 3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form C15H22O2 234.161979 NA MeJP NA NA +MJ012243 3-Hydroxy-9,11-eremophiladien-8-one C15H22O2 234.161979 NA MeJP NA NA +MJ012244 3-Longipinen-12-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012245 3-Thujopsen-15-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012246 3-Valeren-12,6-olide C15H22O2 234.161979 NA MeJP NA NA +MJ012247 4(15),10(14),11(13)-Guaiatriene-6,12-diol C15H22O2 234.161979 NA MeJP NA NA +MJ012248 4(15),11(13)-Eudesmadien-12,6-olide, 11?,13-Dihydro C15H22O2 234.161979 NA MeJP NA NA +MJ012249 4(15),11(13)-Eudesmadien-12,8-olide, 11?,13-Dihydro C15H22O2 234.161979 NA MeJP NA NA +MJ012250 4(15),11(13)-Eudesmadien-12-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012251 4(15),11(13)-Eudesmadiene-7,12-diol; 7?-form, 12-Aldehyde C15H22O2 234.161979 NA MeJP NA NA +MJ012252 4(6),7-Lactaradiene-5,14-dial, 14-Alcohol C15H22O2 234.161979 NA MeJP NA NA +MJ012253 4,10(14)-Muuroladien-15-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012254 4,10-Longipinanedione C15H22O2 234.161979 NA MeJP NA NA +MJ012255 4,11(13)-Amorphadien-12-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012256 4,11(13)-Eudesmadien-12,8-olide, 11?,13-Dihydro C15H22O2 234.161979 NA MeJP NA NA +MJ012257 4,11(13)-Eudesmadien-12-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012258 4,11(13)-Guaiadien-12,8-olide, 11?,13-Dihydro C15H22O2 234.161979 NA MeJP NA NA +MJ012259 4,11(13)-Guaiadien-12-ol, 12-Carboxylic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012260 4,11-Amorphadien-15-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012261 4,11-Cadinadien-15-ol, 15-Carboxylic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012262 4,11-Cadinadien-15-ol; 10?-form, 15-Carboxylic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012263 4,11-Eudesmadien-15-al; Carboxylic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012264 4,11-Eudesmadien-3-one, 13-Hydroxy C15H22O2 234.161979 NA MeJP NA NA +MJ012265 4,5-Corocalanediol C15H22O2 234.161979 NA MeJP NA NA +MJ012266 4,5-Epoxy-1(10),7(11)-germacradien-8-one C15H22O2 234.161979 NA MeJP NA NA +MJ012267 4,6-Decadiyn-1-ol; 3-Methylbutanoyl C15H22O2 234.161979 NA MeJP NA NA +MJ012268 4,6-Dumortadien-3-one, 6?,7?-Epoxide C15H22O2 234.161979 NA MeJP NA NA +MJ012269 4,8-Daucadien-14-al; 4?,5?-Epoxide C15H22O2 234.161979 NA MeJP NA NA +MJ012270 4,8-Daucadien-14-al; 4?,5?-Epoxide C15H22O2 234.161979 NA MeJP NA NA +MJ012271 4,9-Muuroladien-14-al, 14-Carboxylic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012272 4-Acorene-3,8-dione C15H22O2 234.161979 NA MeJP NA NA +MJ012273 4-Cadinen-12,6-olide C15H22O2 234.161979 NA MeJP NA NA +MJ012274 4-Hydroxy-1(10),7(11)-guaiadien-8-one C15H22O2 234.161979 NA MeJP NA NA +MJ012275 4-Hydroxy-1(5),11-guaiadien-2-one C15H22O2 234.161979 NA MeJP NA NA +MJ012276 4-Hydroxy-1(6)-lippifolien-5-one C15H22O2 234.161979 NA MeJP NA NA +MJ012277 4-Hydroxy-2,5-herbertadien-1-one C15H22O2 234.161979 NA MeJP NA NA +MJ012278 4-Hydroxy-7(11),10(14)-guaiadien-8-one C15H22O2 234.161979 NA MeJP NA NA +MJ012279 4-Hydroxy-7(11),9-guaiadien-8-one C15H22O2 234.161979 NA MeJP NA NA +MJ012280 4-Hydroxy-8,11-daucadien-14-al C15H22O2 234.161979 NA MeJP NA NA +MJ012281 4-Isocedren-14,15-olide; 14-Alcohol C15H22O2 234.161979 NA MeJP NA NA +MJ012282 4-Patchoulen-15-ol; 15-Carboxylic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012283 4-Patchoulen-3-one; 8?-Hydroxy C15H22O2 234.161979 NA MeJP NA NA +MJ012284 5(10),7(11)-Xanthadiene-4,8-dione; 10?-form C15H22O2 234.161979 NA MeJP NA NA +MJ012285 5,11(13)-Eudesmadien-12-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012286 5,7(14)-Silphiperfoladien-13-oic acid; 7,14-Dihydro C15H22O2 234.161979 NA MeJP NA NA +MJ012287 5,8-Epoxy-7(11),9-guaiadien-8-ol C15H22O2 234.161979 NA MeJP NA NA +MJ012288 5-(2-Nonenyl)-1,3-benzenediol C15H22O2 234.161979 NA MeJP NA NA +MJ012289 5-Hydroxy-1(10),4(15),7(11)-germacratrien-8-one C15H22O2 234.161979 NA MeJP NA NA +MJ012290 5-Hydroxy-1-aromadendren-3-one C15H22O2 234.161979 NA MeJP NA NA +MJ012291 5-Hydroxy-2(9),7-lactaradien-14-al C15H22O2 234.161979 NA MeJP NA NA +MJ012292 5-Hydroxy-3,11-eudesmadien-2-one C15H22O2 234.161979 NA MeJP NA NA +MJ012293 5-Zizen-12-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012294 6(13)-Zizaen-12-oic acid; 2?H-form C15H22O2 234.161979 NA MeJP NA NA +MJ012295 6(13)-Zizaen-12-oic acid; 2à H-form C15H22O2 234.161979 NA MeJP NA NA +MJ012296 6,11-Epoxy-5,10-pinguisadien-7-ol; 7?-form C15H22O2 234.161979 NA MeJP NA NA +MJ012297 6,12-Epoxy-1(10),4,11(13)-germacratrien-12-ol C15H22O2 234.161979 NA MeJP NA NA +MJ012298 6,7-Epoxy-4(15)-hirsuten-5-ol C15H22O2 234.161979 NA MeJP NA NA +MJ012299 6-Hydroxy-1,4-eudesmadien-3-one C15H22O2 234.161979 NA MeJP NA NA +MJ012300 6-Hydroxy-2,7,10-bisabolatrien-9-one C15H22O2 234.161979 NA MeJP NA NA +MJ012301 6-Hydroxy-9-isocapnellen-8-one; 6?-form C15H22O2 234.161979 NA MeJP NA NA +MJ012302 6-Oxo-5(10)-pinguisen-11-al C15H22O2 234.161979 NA MeJP NA NA +MJ012303 7(11),9-Xanthadiene-3,8-dione C15H22O2 234.161979 NA MeJP NA NA +MJ012304 7(11),9-Xanthadiene-4,8-dione C15H22O2 234.161979 NA MeJP NA NA +MJ012305 7(11)-Eremophilen-12,8-olide C15H22O2 234.161979 NA MeJP NA NA +MJ012306 7,9-Guaiadien-14-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012307 7,9-Illudadiene-3,14-diol C15H22O2 234.161979 NA MeJP NA NA +MJ012308 7-Drimen-11,12-olide C15H22O2 234.161979 NA MeJP NA NA +MJ012309 7-Drimen-12,11-olide C15H22O2 234.161979 NA MeJP NA NA +MJ012310 7-Drimene-11,12-diol, 11,12-Dialdehyde C15H22O2 234.161979 NA MeJP NA NA +MJ012311 7-Hydroxy-3,11-eudesmadien-2-one C15H22O2 234.161979 NA MeJP NA NA +MJ012312 7?,8?:8?,12-Diepoxy-11(13)-eremophilene C15H22O2 234.161979 NA MeJP NA NA +MJ012313 8(12)-Drimen-15,11-olide C15H22O2 234.161979 NA MeJP NA NA +MJ012314 8,11-Daucadien-14-al; 14-Carboxylic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012315 8-Drimen-12,11-olide C15H22O2 234.161979 NA MeJP NA NA +MJ012316 8-Hydroxy-1,11-eremophiladien-9-one; 8?-form C15H22O2 234.161979 NA MeJP NA NA +MJ012317 8-Hydroxy-3-isohirsuten-5-one; 8?-form C15H22O2 234.161979 NA MeJP NA NA +MJ012318 8-Hydroxy-3-longipinen-5-one C15H22O2 234.161979 NA MeJP NA NA +MJ012319 8-Hydroxy-4-amorphen-3-one; 8-Ketone C15H22O2 234.161979 NA MeJP NA NA +MJ012320 8-Oxo-3-copaen-15-al, 15-Alcohol C15H22O2 234.161979 NA MeJP NA NA +MJ012321 9,11(13)-Eremophiladien-12-oic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012322 9,11-Eremophiladiene-1,3-diol, 1-Ketone C15H22O2 234.161979 NA MeJP NA NA +MJ012323 9-(3-Furanyl)-2,6-dimethyl-2,6-nonadien-5-ol C15H22O2 234.161979 NA MeJP NA NA +MJ012324 9-Aristolen-12-al; 12-Carboxylic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012325 9-Aristolen-8-one; 1?-Hydroxy C15H22O2 234.161979 NA MeJP NA NA +MJ012326 9-Eremophilen-12,8-olide C15H22O2 234.161979 NA MeJP NA NA +MJ012327 9-Hydroxy-1(6),4-brasiladien-7-one C15H22O2 234.161979 NA MeJP NA NA +MJ012328 9-Hydroxy-3(15),6-caryophylladien-8-one C15H22O2 234.161979 NA MeJP NA NA +MJ012329 9-Hydroxy-6-hirsuten-5-one; 9?-form C15H22O2 234.161979 NA MeJP NA NA +MJ012330 9-Hydroxy-7(11),9-eremophiladien-8-one C15H22O2 234.161979 NA MeJP NA NA +MJ012331 9-Pentadecene-12,14-diyne-1,11-diol C15H22O2 234.161979 NA MeJP NA NA +MJ012332 ?-Bergamotenoic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012333 ?-Santala-3(15),10-dien-12-ol, 12-Carboxylic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012334 Ancistrodial C15H22O2 234.161979 NA MeJP NA NA +MJ012335 Ancistrofuran C15H22O2 234.161979 NA MeJP NA NA +MJ012336 Antibiotic AM 6898B; 4-Deoxy C15H22O2 234.161979 NA MeJP NA NA +MJ012337 Arteannuin I C15H22O2 234.161979 NA MeJP NA NA +MJ012338 Bilobanone, 1?-Alcohol C15H22O2 234.161979 NA MeJP NA NA +MJ012339 Botrydienal; 2,3-Didehydro, 10,15-bisalcohol C15H22O2 234.161979 NA MeJP NA NA +MJ012340 Broderol C15H22O2 234.161979 NA MeJP NA NA +MJ012341 Calamenene, 2,5-Dihydroxy C15H22O2 234.161979 NA MeJP NA NA +MJ012342 Caulolactone C15H22O2 234.161979 NA MeJP NA NA +MJ012343 Crispatanolide C15H22O2 234.161979 NA MeJP NA NA +MJ012344 Cuparene, 2,4-Dihydroxy C15H22O2 234.161979 NA MeJP NA NA +MJ012345 Cuparene, 2,5-Dihydroxy C15H22O2 234.161979 NA MeJP NA NA +MJ012346 Cuprenolide C15H22O2 234.161979 NA MeJP NA NA +MJ012347 Curcumanolide A C15H22O2 234.161979 NA MeJP NA NA +MJ012348 Curcumenone C15H22O2 234.161979 NA MeJP NA NA +MJ012349 Cyclodehydroisolubimin C15H22O2 234.161979 NA MeJP NA NA +MJ012350 Davana ether C15H22O2 234.161979 NA MeJP NA NA +MJ012351 Eupatorenone C15H22O2 234.161979 NA MeJP NA NA +MJ012352 Fukinanolide C15H22O2 234.161979 NA MeJP NA NA +MJ012353 Furanoeremophilan-10-ol; 10?-form C15H22O2 234.161979 NA MeJP NA NA +MJ012354 Furanoeremophilan-6-ol C15H22O2 234.161979 NA MeJP NA NA +MJ012355 Furopelargone C15H22O2 234.161979 NA MeJP NA NA +MJ012356 Geigeranolide; 11?,13-Dihydro C15H22O2 234.161979 NA MeJP NA NA +MJ012357 Helminthosporal C15H22O2 234.161979 NA MeJP NA NA +MJ012358 Herbadysidolide C15H22O2 234.161979 NA MeJP NA NA +MJ012359 Himasecolone C15H22O2 234.161979 NA MeJP NA NA +MJ012360 Isodrimenin C15H22O2 234.161979 NA MeJP NA NA +MJ012361 Kanshone A C15H22O2 234.161979 NA MeJP NA NA +MJ012362 Lemnalactone C15H22O2 234.161979 NA MeJP NA NA +MJ012363 Lepistirone C15H22O2 234.161979 NA MeJP NA NA +MJ012364 Macrophyllic acid A C15H22O2 234.161979 NA MeJP NA NA +MJ012365 Mandassidione C15H22O2 234.161979 NA MeJP NA NA +MJ012366 Marasmene C15H22O2 234.161979 NA MeJP NA NA +MJ012367 Neotorreyol C15H22O2 234.161979 NA MeJP NA NA +MJ012368 Nudenoic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012369 Omphalic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012370 Parvinolide C15H22O2 234.161979 NA MeJP NA NA +MJ012371 Perforenone; 3?-Hydroxy C15H22O2 234.161979 NA MeJP NA NA +MJ012372 Perforenone; 3?-Hydroxy C15H22O2 234.161979 NA MeJP NA NA +MJ012373 Prehelminthosporol; Ketone (lactone) C15H22O2 234.161979 NA MeJP NA NA +MJ012374 Punctaporonin G C15H22O2 234.161979 NA MeJP NA NA +MJ012375 Rishitinol C15H22O2 234.161979 NA MeJP NA NA +MJ012376 Sclerocarpic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012377 Sesquichamaenol C15H22O2 234.161979 NA MeJP NA NA +MJ012378 Shizukafuranol C15H22O2 234.161979 NA MeJP NA NA +MJ012379 Spartidienedione C15H22O2 234.161979 NA MeJP NA NA +MJ012380 Spirodilatanolide A; 11?,13-Dihydro C15H22O2 234.161979 NA MeJP NA NA +MJ012381 Striatenic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012382 Sugeonol C15H22O2 234.161979 NA MeJP NA NA +MJ012383 Terrecyclol C15H22O2 234.161979 NA MeJP NA NA +MJ012384 Tremulenediol B; 11,12-Dialdehyde C15H22O2 234.161979 NA MeJP NA NA +MJ012385 Tremulenolide A C15H22O2 234.161979 NA MeJP NA NA +MJ012386 Tremulenolide B C15H22O2 234.161979 NA MeJP NA NA +MJ012387 Trisporone; 12-Deoxy C15H22O2 234.161979 NA MeJP NA NA +MJ012388 Valerenic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012389 ?-Bergamotenoic acid C15H22O2 234.161979 NA MeJP NA NA +MJ012390 ?-Santal-10-en-12-ol, Carboxylic acid C15H22O2 234.161979 NA MeJP NA NA +MetaCyc02165 2-dehydrolubimin [] C15H22O2 234.16198 NA metacyc NA NA +MetaCyc02166 15-hydroxysolavetivone [] C15H22O2 234.16198 NA metacyc NA NA +C09350 Bakkenolide A C15H22O2 234.162 NA KEGG NA NA +C09376 Confertifolin C15H22O2 234.162 NA KEGG NA NA +C09399 Drimenin C15H22O2 234.162 NA KEGG NA NA +C09409 Eremophilenolide C15H22O2 234.162 NA KEGG NA NA +C09677 Helminthosporal C15H22O2 234.162 NA KEGG NA NA +C09686 Hydroxyisopatchoulenone C15H22O2 234.162 NA KEGG NA NA +C09712 Polygodial C15H22O2 234.162 NA KEGG NA NA +C09721 Sclerosporin C15H22O2 234.162 NA KEGG NA NA +C09739 Tetradymol C15H22O2 234.162 NA KEGG NA NA +C09743 Valerenic acid C15H22O2 234.162 NA KEGG NA NA +C16942 Curcumenol C15H22O2 234.162 NA KEGG NA NA +C16949 Dehydrocurdione C15H22O2 234.162 NA KEGG NA NA +C17090 alpha-Cyperone C15H22O2 234.162 NA KEGG NA NA +C17489 (4S,5S)-(+)-Germacrone 4,5-epoxide C15H22O2 234.162 NA KEGG NA NA +C17491 13-Hydroxygermacrone C15H22O2 234.162 NA KEGG NA NA +C17492 Curcumenone C15H22O2 234.162 NA KEGG NA NA +C17504 Sugeonol C15H22O2 234.162 NA KEGG NA NA +C17609 Chrysantherol C15H22O2 234.162 NA KEGG NA NA +C07073 Lidocaine C14H22N2O 234.1732 NA KEGG NA NA +C10751 Angustifoline C14H22N2O 234.1732 NA KEGG NA NA +MJ012391 Angustifoline C14H22N2O 234.173213 NA MeJP NA NA +MJ012392 Camoensidine C14H22N2O 234.173213 NA MeJP NA NA +MJ012393 Lidocaine C14H22N2O 234.173213 NA MeJP NA NA +MJ012394 Octacaine C14H22N2O 234.173213 NA MeJP NA NA +MJ012395 Quatacaine C14H22N2O 234.173213 NA MeJP NA NA +MJ012396 10,12,14-Hexadecatrienal C16H26O 234.198365 NA MeJP NA NA +MJ012397 13,14,15,16-Tetranor-7-labden-12-al; ent-form C16H26O 234.198365 NA MeJP NA NA +MJ012398 2,6-Di-tert-butyl-4-ethylphenol C16H26O 234.198365 NA MeJP NA NA +MJ012399 3-Methyl-5-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-4-penten-2-one C16H26O 234.198365 NA MeJP NA NA +MJ012400 4,6,11-Hexadecatrienal C16H26O 234.198365 NA MeJP NA NA +MJ012401 ?-Isosparteine C15H26N2 234.209598 NA MeJP NA NA +MJ012402 Sparteine C15H26N2 234.209598 NA MeJP NA NA +MJ012403 ?-Isosparteine C15H26N2 234.209598 NA MeJP NA NA +C10783 (-)-Sparteine C15H26N2 234.2096 NA KEGG NA NA +C17418 Genisteine C15H26N2 234.2096 NA KEGG NA NA +MJ012404 1,5,8-Heptadecatriene C17H30 234.23475 NA MeJP NA NA +MJ012405 1,6,9-Heptadecatriene C17H30 234.23475 NA MeJP NA NA +MJ012406 3,6,9-Heptadecatriene C17H30 234.23475 NA MeJP NA NA +MJ012407 4,8,11-Heptadecatriene C17H30 234.23475 NA MeJP NA NA +7798 ACE inhibitor VVRP 234.6445 MH2+ Inhouse_peptide NA peptide +MJ012408 (2,2,2-Trichloro-1-hydroxyethyl)carbamic acid; Et ester C5H8Cl3NO3 234.956976 NA MeJP NA NA +MJ012409 Monalazone C7H6ClNO4S 234.970606 NA MeJP NA NA +MJ012410 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide; 3,5-Dichloro C8H7Cl2NO3 234.980298 NA MeJP NA NA +MJ012411 Taurosteine C7H9NO4S2 234.997299 NA MeJP NA NA +MJ012412 3-Amino-1-hydroxy-1,1-propanediphosphonic acid C3H11NO7P2 235.001074 NA MeJP NA NA +MetaCyc02167 pamidronate [(3-amino-1-hydroxy-1-phosphono-propyl)phosphonic acid;Amidronate;Aminomux;] C3H11N1O7P2 235.001075 NA metacyc NA NA +C07395 Pamidronate C3H11NO7P2 235.0011 NA KEGG NA NA +C07396 Transferred to D00492 C3H11NO7P2 235.0011 NA KEGG NA NA +MJ012413 2-(2-Hydroxyphenyl)-4-thiazolecarboxylic acid; Me ester C11H9NO3S 235.030313 NA MeJP NA NA +MJ012414 4,8-Dihydroxy-2-quinolinecarbothioic acid; 4-Me ether C11H9NO3S 235.030313 NA MeJP NA NA +MJ012415 ?-(4-Hydroxy-3-methoxyphenyl)-2-thiazolemethanol; Ketone C11H9NO3S 235.030313 NA MeJP NA NA +C11468 3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5- C11H9NO5 235.0481 NA KEGG NA NA +MJ012416 Quazinone C11H10ClN3O 235.051239 NA MeJP NA NA +PJ000073 CN C7H13N3O4S 235.0627 NA PeJP NA NA +MJ012417 2-Ethyl-2-phenyl-1,4-thiazane-3,5-dione C12H13NO2S 235.066699 NA MeJP NA NA +C11255 Carboxin C12H13NO2S 235.0667 NA KEGG NA NA +C03408 N-Acetylgalactosaminate C8H13NO7 235.0692 NA KEGG NA NA +C03948 N-Glycolyl-D-mannosaminolactone C8H13NO7 235.0692 NA KEGG NA NA +C03949 Immunoglobulin G glycopeptide C8H13NO7 235.0692 NA KEGG NA NA +MJ012418 2-Amino-2-deoxygalacturonic acid, N-Ac C8H13NO7 235.069201 NA MeJP NA NA +MJ012419 2-Amino-2-deoxymannuronic acid, N-Ac C8H13NO7 235.069201 NA MeJP NA NA +MJ012420 N-Cyano-N'-[2-(nitrooxy)ethyl]-3-pyridinecarboximidamide C9H9N5O3 235.070539 NA MeJP NA NA +EUR282 Neopterine F3 F3 235.075175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR282 Neopterine F3 NA 235.075175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR282 Neopterine F3 F3 235.075175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR282 Neopterine F3 NA 235.075175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR282 Neopterine F3 F3 235.075175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR282 Neopterine F3 NA 235.075175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR282 Neopterine F3 F3 235.075175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR282 Néoptérine F3 F3 235.075175 standards wishlist analysés sur QTOF HMDB NA NA +EUR282 Neopterine F3 F3 235.075175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR282 Neopterine F3 NA 235.075175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR282 Neopterine F3 F3 235.075175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR282 Neopterine F3 F3 235.075175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ012421 2,3,4,8-Quinolinetetrol; NH-form, 3,4,8-Tri-Me ether C12H13NO4 235.084457 NA MeJP NA NA +MJ012422 2,3,4,8-Quinolinetetrol; NH-form, N,O3,O8-Tri-Me C12H13NO4 235.084457 NA MeJP NA NA +MJ012423 2,4,6,8-Quinolinetetrol; 4,6,8-Tri-Me ether C12H13NO4 235.084457 NA MeJP NA NA +MJ012424 2,4,7,8-Quinolinetetrol; 4,7,8-Tri-Me ether C12H13NO4 235.084457 NA MeJP NA NA +MJ012425 ?-Amino-2-carboxy-3-phenylcyclopropaneacetic acid C12H13NO4 235.084457 NA MeJP NA NA +MJ012426 Cherianoine C12H13NO4 235.084457 NA MeJP NA NA +MJ012427 Thalflavine C12H13NO4 235.084457 NA MeJP NA NA +C13681 p-N,N-(Dimethylamino)phenyldiazonium fluoroborate C8H10N3 235.0904 NA KEGG NA NA +HMDB06783 S-Aminomethyldihydrolipoylprotein C9H19N2OS2 235.09389 http://www.hmdb.ca/metabolites/HMDB06783 HMDB NA NA +HMDB06783 S-Aminomethyldihydrolipoylprotein C9H19N2OS2 235.09389 HMDB06783 PFEM_hmdb_metabocards_official NA NA +MJ012428 Siderochelin A C11H13N3O3 235.095691 NA MeJP NA NA +MJ012429 4-Hydroxy-2-phenylquinoline; NH-form, N-Me C16H13NO 235.099714 NA MeJP NA NA +MJ012430 4-Hydroxy-2-phenylquinoline; OH-form, Me ether C16H13NO 235.099714 NA MeJP NA NA +MJ012431 5H-Dibenzo[a,d]cycloheptene-5-carboxylic acid; Amide C16H13NO 235.099714 NA MeJP NA NA +MJ012432 Sinharine, N-Me C13H17NOS 235.103084 NA MeJP NA NA +MJ012433 6-Deoxy-5-C-methyl-lyxo-hexose, 4-Me, 3-carbamoyl C9H17NO6 235.105587 NA MeJP NA NA +MJ012434 Zeatin, 2-Hydroxy C10H13N5O2 235.106924 NA MeJP NA NA +MJ012435 Eudistomin H; Debromo C15H13N3 235.110947 NA MeJP NA NA +MJ012436 Picilorex C14H18ClN 235.112777 NA MeJP NA NA +C09573 Lophophorine C13H17NO3 235.1208 NA KEGG NA NA +MJ012437 1-(1H-Indol-7-yl)-3-methyl-1,2,3-butanetriol C13H17NO3 235.120843 NA MeJP NA NA +MJ012438 3,4-Dihydro-8-hydroxy-6,7-dimethoxy-1-methylisoquinoline; N-Me, inner salt C13H17NO3 235.120843 NA MeJP NA NA +MJ012439 3,4-Dihydro-ar-trimethoxy-1-methylisoquinoline C13H17NO3 235.120843 NA MeJP NA NA +MJ012440 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(2-Furoyl) C13H17NO3 235.120843 NA MeJP NA NA +MJ012441 Allosecurinine, 14,15-Dihydro, 15?-hydroxy C13H17NO3 235.120843 NA MeJP NA NA +MJ012442 Anhalonine, N-Me C13H17NO3 235.120843 NA MeJP NA NA +MJ012443 Darlingine; N-Oxide C13H17NO3 235.120843 NA MeJP NA NA +MJ012444 Dihydroshihunine, 6'-Methoxy C13H17NO3 235.120843 NA MeJP NA NA +MJ012445 Norsecurinine, 14,15-Dihydro, 4-methoxy C13H17NO3 235.120843 NA MeJP NA NA +MJ012446 Pandamarilactam 3x C13H17NO3 235.120843 NA MeJP NA NA +MJ012447 Romifenone C13H17NO3 235.120843 NA MeJP NA NA +MJ012448 Ruspolinone, O4'-De-Me C13H17NO3 235.120843 NA MeJP NA NA +MJ012449 Securinol A C13H17NO3 235.120843 NA MeJP NA NA +MJ012450 Securinol C C13H17NO3 235.120843 NA MeJP NA NA +MJ012451 Azapetine C17H17N 235.136099 NA MeJP NA NA +C05204 (S)-7,8,13,14-Tetrahydroprotoberberine C17H17N 235.1361 NA KEGG NA NA +C05205 [Cytochrome c] methionine C6H10N2O2SR2 235.1361 NA KEGG NA NA +C05206 Histone L-arginine C7H13N5O2R2 235.1361 NA KEGG NA NA +C05207 [Myeline basic protein] L-arginine C7H13N5O2R2 235.1361 NA KEGG NA NA +C05208 1-Alkyl-2-arachidonyl-sn-glycero-3-phosphocholine C28H50NO7PR 235.1361 NA KEGG NA NA +C05209 1-Alkyl-2-lyso-sn-glycero-3-phosphoethanolamine C5H13NO6PR 235.1361 NA KEGG NA NA +C05210 1-Alkyl-2-arachidonyl-sn-glycero-3-phosphoethanolamine C25H43NO7PR 235.1361 NA KEGG NA NA +C05212 1-Radyl-2-acyl-sn-glycero-3-phosphocholine C9H19NO7PR2 235.1361 NA KEGG NA NA +C05217 1-Organyl-2-lyso-sn-glycero-3-phospholipid C3H7O6PR2 235.1361 NA KEGG NA NA +C05218 1-Radyl-2-acetyl-sn-glycero-3-phospholipid C5H9O7PR2 235.1361 NA KEGG NA NA +C14169 Stovaine C14H21NO2 235.1572 NA KEGG NA NA +MJ012452 1-[3-(Aminomethyl)-5-(1,1-dimethylethyl)-2-hydroxyphenyl]-1-propanone C14H21NO2 235.157228 NA MeJP NA NA +MJ012453 2-Amino-2-methyl-1-propanol; N-Propyl, O-benzoyl C14H21NO2 235.157228 NA MeJP NA NA +MJ012454 4-(Dimethylamino)benzoic acid; 3-Methylbutyl ester C14H21NO2 235.157228 NA MeJP NA NA +MJ012455 4-(Dimethylamino)benzoic acid; Pentyl ester C14H21NO2 235.157228 NA MeJP NA NA +MJ012456 Amylocaine C14H21NO2 235.157228 NA MeJP NA NA +MJ012457 Berefrine C14H21NO2 235.157228 NA MeJP NA NA +MJ012458 Pentamoxane C14H21NO2 235.157228 NA MeJP NA NA +MJ012459 Sedamine, 4R-Hydroxy C14H21NO2 235.157228 NA MeJP NA NA +MJ012460 Sedamine, 3R-Hydroxy C14H21NO2 235.157228 NA MeJP NA NA +MJ012461 Sedamine, 5S-Hydroxy C14H21NO2 235.157228 NA MeJP NA NA +MJ012462 1,2,3,4-Tetrahydro-8-hydroxy-6-methoxy-1,2,3-trimethylisoquinoline, N-Me C14H22NO2(+) 235.157228 NA MeJP NA NA +MJ012463 Procainamide C13H21N3O 235.168462 NA MeJP NA NA +C07401 Procainamide C13H21N3O 235.1685 NA KEGG NA NA +MJ012464 2,4,6-Decatrienoic acid dehydropiperidide, 2',3',6,7-Tetrahydro C15H25NO 235.193614 NA MeJP NA NA +MJ012465 2,7,9-Undecatrienoic acid, 2-Methylpropylamide C15H25NO 235.193614 NA MeJP NA NA +MJ012466 Histrionicotoxins; Histrionicotoxin 235A C15H25NO 235.193614 NA MeJP NA NA +MJ012467 Mantella Alkaloid 235C C15H25NO 235.193614 NA MeJP NA NA +MJ012468 5-(4-Heptenyl)indolizidine C16H29N 235.229999 NA MeJP NA NA +8113 peptide derived from sardinelle by-products proteins (Sardinella aurita) LARL 235.653 MH2+ Inhouse_peptide NA peptide +C16249 2-Bromomaleylacetate C6H5BrO5 235.932 NA KEGG NA NA +MJ012469 Clomesone C4H9ClO5S2 235.957992 NA MeJP NA NA +CJpos0601 Citric acid [(M-H)+2(Na)]+ C6H7O7Na2 235.990375 C18rt(min)=1.09 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0601 Citric acid [(M-H)+2(Na)]+ C6H7O7Na2 235.990375 C18rt(min)=1.09 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +C14268 Fenpiclonil C11H6Cl2N2 235.9908 NA KEGG NA NA +C14182 m-Benzenedisulfonamide C6H8N2O4S2 235.9925 NA KEGG NA NA +MJ012470 3,5-Dichloro-6-methyl-1,2,4-benzenetriol; 2,4-Di-Me ether C9H10Cl2O3 236.000699 NA MeJP NA NA +MJ012471 Methazolamide C5H8N4O3S2 236.003781 NA MeJP NA NA +MJ012472 Propazolamide C5H8N4O3S2 236.003781 NA MeJP NA NA +C07764 Methazolamide C5H8N4O3S2 236.0038 NA KEGG NA NA +MJ012473 Bis(4'-chlorophenyl)methane C13H10Cl2 236.015955 NA MeJP NA NA +C06641 Bis(4'-chlorophenyl)methane C13H10Cl2 236.016 NA KEGG NA NA +C14611 1-Chloro-2-(chlorophenylmethyl)benzene C13H10Cl2 236.016 NA KEGG NA NA +MJ012474 Carbromal C7H13BrN2O2 236.01604 NA MeJP NA NA +C08051 Sulfacetamide sodium anhydrous C8H9N2O3S 236.0232 NA KEGG NA NA +MJ012475 1,4:3,6-Dianhydroglucitol, 2,5-Dinitrate C6H8N2O8 236.028065 NA MeJP NA NA +C07456 Isosorbide dinitrate C6H8N2O8 236.0281 NA KEGG NA NA +MJ012476 2,3,5,7-Tetrahydroxy-1,4-naphthoquinone; 3-Me ether C11H8O6 236.032087 NA MeJP NA NA +MJ012477 2,3,5,7-Tetrahydroxy-1,4-naphthoquinone; 7-Me ether C11H8O6 236.032087 NA MeJP NA NA +MJ012478 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthoquinone C11H8O6 236.032087 NA MeJP NA NA +MJ012479 5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 6,7-Methylene, 5-Me ether C11H8O6 236.032087 NA MeJP NA NA +MJ012480 6,7-Dihydroxy-8-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid C11H8O6 236.032087 NA MeJP NA NA +MJ012481 6,8-Dihydroxy-3-hydroxymethyl-1H-2-benzopyran-1-one; 6-Me ether, 1'-carboxylic acid C11H8O6 236.032087 NA MeJP NA NA +C14094 2-Carboxy-2-hydroxy-8-carboxychromene C11H8O6 236.0321 NA KEGG NA NA +C14095 2-Hydroxy-3-carboxybenzalpyruvate C11H8O6 236.0321 NA KEGG NA NA +MJ012482 Batzelline A; De(methylthio) C11H9ClN2O2 236.035255 NA MeJP NA NA +MJ012483 1-Propenyl 1-(2-propenylthio)propyl disulfide; 7-Oxide C9H16OS3 236.036327 NA MeJP NA NA +MJ012484 2-Propenyl 1-(1-propenylthio)propyl disulfide; 7-Oxide C9H16OS3 236.036327 NA MeJP NA NA +MJ012485 2-Propenyl 1-(2-propenylthio)propyl disulfide; 7-Oxide C9H16OS3 236.036327 NA MeJP NA NA +MJ012486 Orelline; Mono-N-oxide C10H8N2O5 236.043321 NA MeJP NA NA +MJ012487 Brassinin C11H12N2S2 236.044189 NA MeJP NA NA +MJ012488 Rehmaglutin A; 7-Deoxy, 7?-chloro, 3?-hydroxy C9H13ClO5 236.045151 NA MeJP NA NA +MJ012489 2-[(5-Chloro-2-methoxyphenyl)azo]-1H-imidazole C10H9ClN4O 236.046488 NA MeJP NA NA +PJ000074 CD C7H12N2O5S 236.0467 NA PeJP NA NA +MJ012490 ?,9-Dioxo-9H-fluorene-2-acetaldehyde C15H8O3 236.047344 NA MeJP NA NA +MJ012491 Anthraquinone-2-carboxaldehyde C15H8O3 236.047344 NA MeJP NA NA +MJ012492 8-Hydroxy-3,5-dimethyl-4-methylthio-2H-1-benzopyran-2-one C12H12O3S 236.050714 NA MeJP NA NA +MJ012493 Pluridone C12H12O3S 236.050714 NA MeJP NA NA +MJ012494 3,6-Dihydro-3,4,5-trihydroxy-6-(1,2,3-trihydroxypropyl)-2H-pyran-2-one C8H12O8 236.053217 NA MeJP NA NA +MJ012495 Phorbic acid C8H12O8 236.053217 NA MeJP NA NA +MJ012496 1-Hydroxycanthin-6-one C14H8N2O2 236.058577 NA MeJP NA NA +MJ012497 10-Hydroxycanthin-6-one C14H8N2O2 236.058577 NA MeJP NA NA +MJ012498 11-Hydroxycanthin-6-one C14H8N2O2 236.058577 NA MeJP NA NA +MJ012499 2-Hydroxycanthin-6-one C14H8N2O2 236.058577 NA MeJP NA NA +MJ012500 3H-Indolo[3,2,1-de][1,5]naphthyridine-2,6-dione C14H8N2O2 236.058577 NA MeJP NA NA +MJ012501 4-Hydroxycanthin-6-one C14H8N2O2 236.058577 NA MeJP NA NA +MJ012502 5-Hydroxycanthin-6-one C14H8N2O2 236.058577 NA MeJP NA NA +MJ012503 6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one; 3-N-Oxide C14H8N2O2 236.058577 NA MeJP NA NA +MJ012504 8-Hydroxycanthin-6-one C14H8N2O2 236.058577 NA MeJP NA NA +MJ012505 9-Hydroxycanthin-6-one C14H8N2O2 236.058577 NA MeJP NA NA +C09212 11-Hydroxycanthin-6-one C14H8N2O2 236.0586 NA KEGG NA NA +MJ012506 Sorbinil C11H9FN2O3 236.05972 NA MeJP NA NA +MJ012507 Zileuton C11H12N2O2S 236.061948 NA MeJP NA NA +MJ012508 1,2,4,7,8-Naphthalenepentol; 2,7-Di-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012509 1,3-Dihydro-4,6-dihydroxy-7-methyl-3-oxo-5-isobenzofurancarboxaldehyde; Di-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012510 2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid C12H12O5 236.068473 NA MeJP NA NA +MJ012511 3,4,6-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; 3,4-Di-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012512 3,4,7-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; 3,4-Di-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012513 3,4,8-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; 3,4-Di-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012514 3,4-Dihydro-6,7,8-trihydroxy-3-methyl-1H-2-benzopyran-1-one, 7,8-Methylene, 6-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012515 3,4-Dihydro-8-hydroxy-3,5-dimethyl-1H-2-benzopyran-1-one, 5-Carboxylic acid, Me ester C12H12O5 236.068473 NA MeJP NA NA +MJ012516 3,7,8-Trihydroxy-2H-1-benzopyran-2-one; Tri-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012517 3-(2,3,4,5-Tetrahydroxyphenyl)-2-propen-1-ol, Aldehyde, 2,3-methylene, 4,5-di-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012518 3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3,4-Methylene, 5-Me ether, Me ester C12H12O5 236.068473 NA MeJP NA NA +MJ012519 3-(3,4-Dihydroxy-3-methyl-1-butynyl)-4-hydroxybenzoic acid C12H12O5 236.068473 NA MeJP NA NA +MJ012520 4,7,8-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; 4,8-Di-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012521 5,6,7-Trihydroxy-2,8-dimethyl-4H-1-benzopyran-4-one; 6-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012522 5,6,7-Trihydroxy-2-methyl-4H-1-benzopyran-4-one; 6,7-Di-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012523 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; Tri-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012524 5,7,8-Trihydroxy-2-methyl-4H-1-benzopyran-4-one; 7,8-Di-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012525 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; Tri-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012526 5,7-Dihydroxy-2,3-dimethyl-4H-1-benzopyran-4-one; 1''-Hydroxy, 7-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012527 5,7-Dihydroxy-2,3-dimethyl-4H-1-benzopyran-4-one; 1'-Hydroxy, 7-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012528 5-(2,5-Dihydro-4-methyl-2,5-dioxo-3-furanyl)-2-ethyl-2,4-pentadienoic acid C12H12O5 236.068473 NA MeJP NA NA +MJ012529 6,7,8-Trihydroxy-2H-1-benzopyran-2-one; Tri-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012530 6,7,8-Trihydroxy-3-methyl-1H-2-benzopyran-1-one; 6,7-Di-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012531 6,7,8-Trihydroxy-4-methyl-2H-1-benzopyran-2-one; 7,8-Di-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012532 6,8-Dihydroxy-3-(2-hydroxypropyl)-1H-2-benzopyran-1-one C12H12O5 236.068473 NA MeJP NA NA +MJ012533 6-Hydroxy-5-benzofuranpropanoic acid; 7-Methoxy C12H12O5 236.068473 NA MeJP NA NA +MJ012534 Apional C12H12O5 236.068473 NA MeJP NA NA +MJ012535 Austdiol C12H12O5 236.068473 NA MeJP NA NA +MJ012536 Diaporthin, O-De-Me C12H12O5 236.068473 NA MeJP NA NA +MJ012537 Dillapional C12H12O5 236.068473 NA MeJP NA NA +MJ012538 Diomuscipulone C12H12O5 236.068473 NA MeJP NA NA +MJ012539 Murrayacarpin A; 5-Methoxy C12H12O5 236.068473 NA MeJP NA NA +MJ012540 Oospoglycol; 8-Me ether C12H12O5 236.068473 NA MeJP NA NA +MJ012541 Radicinol; 3-Epimer, 4-ketone C12H12O5 236.068473 NA MeJP NA NA +MJ012542 Radicinol; 4-Ketone C12H12O5 236.068473 NA MeJP NA NA +MJ012543 Rhacodione B C12H12O5 236.068473 NA MeJP NA NA +C09313 5,6,7-Trimethoxycoumarin C12H12O5 236.0685 NA KEGG NA NA +C09958 Orthosporin C12H12O5 236.0685 NA KEGG NA NA +MJ012544 8-Chloro-3,4-dihydrospiro[naphthalene-2(1H),4'(5'H)-oxazol]-2'-amine C12H13ClN2O 236.07164 NA MeJP NA NA +C17218 2-(4'-Methylthio)butylmalic acid C9H16O5S 236.0718 NA KEGG NA NA +C17219 3-(4'-Methylthio)butylmalic acid C9H16O5S 236.0718 NA KEGG NA NA +MJ012545 3,5-Dialkyl-1,2,4-trithiolanes; 3,5-Bis(2-methylpropyl)-1,2,4-trithiolane C10H20S3 236.072712 NA MeJP NA NA +MJ012546 4-Aminobenzaldehyde; N-Ac, thiosemicarbazone C10H12N4OS 236.073181 NA MeJP NA NA +MJ012547 8-Chloro-6-chloromethyl-2-methyl-1,6-octadien-3-ol, 3-Me ether C11H18Cl2O 236.07347 NA MeJP NA NA +MJ012548 8-Chloro-6-chloromethyl-2-methyl-2,6-octadien-1-ol, Me ether C11H18Cl2O 236.07347 NA MeJP NA NA +C02700 L-Formylkynurenine C11H12N2O4 236.0797 NA KEGG NA NA +C02702 L-Prolyl-tRNA(Pro) C15H24NO11PR2 236.0797 NA KEGG NA NA +C15605 N-Formyl-D-kynurenine C11H12N2O4 236.0797 NA KEGG NA NA +MJ012549 Kynurenine, N2'-Formyl C11H12N2O4 236.079706 NA MeJP NA NA +MJ012550 Formylkynurenine C11H12N2O4 236.079706 NA MeJP NA NA +MetaCyc02168 N-formylkynurenine [N-Formyl-L-kynurenine;] C11H12N2O4 236.079707 1022-31-7 metacyc NA NA +HMDB01200 N'-Formylkynurenine C11H12N2O4 236.07971 http://www.hmdb.ca/metabolites/HMDB01200 HMDB NA NA +HMDB01200 N'-Formylkynurenine C11H12N2O4 236.07971 HMDB01200 PFEM_hmdb_metabocards_official NA NA +TEST011 Tryptophan : N-Formylkynurenine, C11H12N2O4 236.079712 http://www.hmdb.ca/metabolites/HMDB01200 PFEM_hmdb_metabocards_urine NA urine +TEST011 Tryptophan : N-Formylkynurenine, C11H12N2O4 236.079712 http://www.hmdb.ca/metabolites/HMDB01200 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +TEST011 Tryptophan : N-Formylkynurenine, C11H12N2O4 236.079712 http://www.hmdb.ca/metabolites/HMDB01200 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +TEST011 Tryptophan : N-Formylkynurenine, C11H12N2O4 236.079712 http://www.hmdb.ca/metabolites/HMDB01200 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +TEST011 Tryptophan : N-Formylkynurenine, C11H12N2O4 236.079712 http://www.hmdb.ca/metabolites/HMDB01200 HMDB NA NA +HMDB01200 N'-Formylkynurenine C11H12N2O4 236.079712 NA HMDB2010 NA NA +TEST011 Tryptophan : N-Formylkynurenine, C11H12N2O4 236.079712 http://www.hmdb.ca/metabolites/HMDB01200 Inhouse_PFEM NA NA +TEST011 Tryptophan : N-Formylkynurenine, C11H12N2O4 236.079712 http://www.hmdb.ca/metabolites/HMDB01200 PFEM_hmdb_metabocards_blood NA blood +TEST011 Tryptophan : N-Formylkynurenine, C11H12N2O4 236.079712 http://www.hmdb.ca/metabolites/HMDB01200 PFEM_hmdb_metabocards_official NA NA +MJ012551 Homolanthionine C8H16N2O4S 236.083077 NA MeJP NA NA +PJ000075 SM C8H16N2O4S 236.0831 NA PeJP NA NA +MJ012552 1,2:8,9-Dianhydrononitol C9H16O7 236.089602 NA MeJP NA NA +MJ012553 Caryose C9H16O7 236.089602 NA MeJP NA NA +MJ012554 Galacturonic acid, 2,3,4-Tri-Me C9H16O7 236.089602 NA MeJP NA NA +MJ012555 Methyl ?-D-glucopyranoside; 6-Ac C9H16O7 236.089602 NA MeJP NA NA +C06953 Didanosine C10H12N4O3 236.0909 NA KEGG NA NA +MJ012556 6-(1-Hydroxypropyl)lumazine, 1-Me C10H12N4O3 236.09094 NA MeJP NA NA +MJ012557 6-(1-Hydroxypropyl)lumazine, 3-Me C10H12N4O3 236.09094 NA MeJP NA NA +MJ012558 Adrenochrome, 5-Semicarbazone C10H12N4O3 236.09094 NA MeJP NA NA +MJ012559 Didanosine C10H12N4O3 236.09094 NA MeJP NA NA +7551 ACE inhibitor YQY 236.092 MH2+ Inhouse_peptide NA peptide +7948 synthetic peptide YYQ 236.092 MH2+ Inhouse_peptide NA peptide +7966 synthetic peptide QYY 236.092 MH2+ Inhouse_peptide NA peptide +7969 synthetic peptide YQY 236.092 MH2+ Inhouse_peptide NA peptide +MJ012560 2(1H)-Cycloheptimidazolone; NH-form, N-Benzyl C15H12N2O 236.094963 NA MeJP NA NA +MJ012561 2-Benzyl-4(3H)-quinazolinone C15H12N2O 236.094963 NA MeJP NA NA +MJ012562 5H-Dibenz[b,f]azepine; N-Carbamoyl C15H12N2O 236.094963 NA MeJP NA NA +MJ012563 Nafimidone C15H12N2O 236.094963 NA MeJP NA NA +C06868 Carbamazepine C15H12N2O 236.095 NA KEGG NA NA +C10688 Glycosminine C15H12N2O 236.095 NA KEGG NA NA +C14904 alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile C15H12N2O 236.095 NA KEGG NA NA +C15121 alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile C15H12N2O 236.095 NA KEGG NA NA +MJ012564 Pterosin M, 4,8-Dideoxy, 4-chloro C14H17ClO 236.096792 NA MeJP NA NA +HMDB06239 S-aminomethyldihydrolipoamide C9H20N2OS2 236.1017 NA HMDB2010 NA NA +HMDB06239 S-aminomethyldihydrolipoamide C9H20N2OS2 236.10172 http://www.hmdb.ca/metabolites/HMDB06239 HMDB NA NA +HMDB06239 S-aminomethyldihydrolipoamide C9H20N2OS2 236.10172 HMDB06239 PFEM_hmdb_metabocards_official NA NA +MJ012565 1,5,6,7-Tetrahydro-6,7-dihydroxy-7-methyl-3-(1-propenyl)-8H-2-benzopyran-8-one C13H16O4 236.104859 NA MeJP NA NA +MJ012566 1,7,8,8a-Tetrahydro-7,8-dihydroxy-7-methyl-3-(1-propenyl)-6H-2-benzopyran-6-one C13H16O4 236.104859 NA MeJP NA NA +MJ012567 1-(2,3-Dihydro-4,6-dihydroxy-5-benzofuranyl)-1-butanone; 6-Me ether C13H16O4 236.104859 NA MeJP NA NA +MJ012568 1-(2,4,6-Trihydroxyphenyl)-2-buten-1-one; Tri-Me ether C13H16O4 236.104859 NA MeJP NA NA +MJ012569 2,3-Dihydro-6,7-dihydroxy-2,2-dimethyl-4H-1-benzopyran-4-one; Di-Me ether C13H16O4 236.104859 NA MeJP NA NA +MJ012570 2,4,6-Trihydroxy-3-prenylacetophenone C13H16O4 236.104859 NA MeJP NA NA +MJ012571 2-Ethyl-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one; Di-Me ether C13H16O4 236.104859 NA MeJP NA NA +MJ012572 3,4-Dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid, Me ester C13H16O4 236.104859 NA MeJP NA NA +MJ012573 3,4-Dihydroxy-5-(3-methyl-2-butenyl)benzoic acid; 3-Me ether C13H16O4 236.104859 NA MeJP NA NA +MJ012574 3,4-Dihydroxy-5-(3-methyl-2-butenyl)benzoic acid; 4-Me ether C13H16O4 236.104859 NA MeJP NA NA +MJ012575 4-(3,4-Dihydroxyphenyl)-3-buten-1-ol, 3'-Me ether, 1-Ac C13H16O4 236.104859 NA MeJP NA NA +MJ012576 4-Hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)benzoic acid; Me ester C13H16O4 236.104859 NA MeJP NA NA +MJ012577 4-Hydroxy-3-(3-methyl-2-butenyl)benzoic acid; ?3'-Isomer, 2'-hydroxy, Me ester C13H16O4 236.104859 NA MeJP NA NA +MJ012578 5,7,8-Trihydroxy-2,2-dimethyl-2H-1-benzopyran; 5,7-Di-Me ether C13H16O4 236.104859 NA MeJP NA NA +MJ012579 5-(2-Propenyl)-1,2,3-benzenetriol; 1,3-Di-Me ether, Ac C13H16O4 236.104859 NA MeJP NA NA +MJ012580 5-(3-Methyl-2-butenoyl)-1,2,4-benzenediol; 1,2-Di-Me ether C13H16O4 236.104859 NA MeJP NA NA +MJ012581 5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 1'',2''-Dihydro C13H16O4 236.104859 NA MeJP NA NA +MJ012582 5-Acetyl-2-(1-hydroxy-1-methylethyl)benzofuran; 2'-Hydroxy, 1'-alcohol C13H16O4 236.104859 NA MeJP NA NA +MJ012583 6,7,8-Trihydroxy-2,2-dimethyl-2H-1-benzopyran; 7,8-Di-Me ether C13H16O4 236.104859 NA MeJP NA NA +MJ012584 Anodendroic acid, Me ester C13H16O4 236.104859 NA MeJP NA NA +MJ012585 Asparvenone, 6-Me ether C13H16O4 236.104859 NA MeJP NA NA +MJ012586 Hyperolactone B C13H16O4 236.104859 NA MeJP NA NA +MJ012587 Megapodiol C13H16O4 236.104859 NA MeJP NA NA +MJ012588 Parvulenone; 1'-Me ether C13H16O4 236.104859 NA MeJP NA NA +MJ012589 Pterochromene L4 C13H16O4 236.104859 NA MeJP NA NA +MJ012590 Pyrenochaetic acid A; Dihydro C13H16O4 236.104859 NA MeJP NA NA +MJ012591 Waol A C13H16O4 236.104859 NA MeJP NA NA +MJ012592 Wutaialdehyde C13H16O4 236.104859 NA MeJP NA NA +C12457 3-Dimethylallyl-4-hydroxymandelic acid C13H16O4 236.1049 NA KEGG NA NA +3176 dipeptidyl-aminopeptidase IV inhibitor FA 236.105 celiac toxic Inhouse_peptide NA peptide +7583 ACE inhibitor AF 236.105 antioxidative Inhouse_peptide NA peptide +MJ012593 Azarole C14H12N4 236.106196 NA MeJP NA NA +C07261 Simethicone C8H24O2Si3 236.1084 NA KEGG NA NA +C07262 Transferred to D00434 C8H24O2Si3 236.1084 NA KEGG NA NA +MJ012594 Evandamine C11H16N4S 236.109567 NA MeJP NA NA +7651 ACE inhibitor from wakame YKY 236.11 MH2+ Inhouse_peptide NA peptide +7653 ACE inhibitor from wakame KYY 236.11 MH2+ Inhouse_peptide NA peptide +7931 synthetic peptide KYY 236.11 MH2+ Inhouse_peptide NA peptide +7934 synthetic peptide YKY 236.11 MH2+ Inhouse_peptide NA peptide +7937 synthetic peptide YYK 236.11 MH2+ Inhouse_peptide NA peptide +3364 ACE inhibitor HGLF 236.1155 MH2+ Inhouse_peptide NA peptide +5 Sarcoplasmic GFHI 236.116 MH2+ Inhouse_peptide NA peptide +MJ012595 2,5-Diaminopentanoic acid, N5-Benzoyl C12H16N2O3 236.116092 NA MeJP NA NA +MJ012596 Cyclobarbital C12H16N2O3 236.116092 NA MeJP NA NA +MJ012597 Hexobarbital C12H16N2O3 236.116092 NA MeJP NA NA +MJ012598 Urocanic acid, N1-(1,1-Dimethyl-3-oxobutyl) C12H16N2O3 236.116092 NA MeJP NA NA +C11075 Carbetamide C12H16N2O3 236.1161 NA KEGG NA NA +C11723 Hexobarbitone C12H16N2O3 236.1161 NA KEGG NA NA +PJ000076 AF C12H16N2O3 236.1161 NA PeJP NA NA +MJ012599 4-[1,1'-Biphenyl-4-yl]-3-penten-2-one C17H16O 236.120115 NA MeJP NA NA +MJ012600 Butyl mannoside; ?-D-Pyranose-form C10H20O6 236.125988 NA MeJP NA NA +MJ012601 Fructose; ?-D-Furanose-form, Butyl glycoside C10H20O6 236.125988 NA MeJP NA NA +MJ012602 Fructose; ?-D-Pyranose-form, Butyl glycoside C10H20O6 236.125988 NA MeJP NA NA +MJ012603 Fructose; ?-D-Furanose-form, Butyl glycoside C10H20O6 236.125988 NA MeJP NA NA +MJ012604 Theophylline; N-(2-Methylpropyl) C11H16N4O2 236.127325 NA MeJP NA NA +MJ012605 Acetophenone azine C16H16N2 236.131348 NA MeJP NA NA +MJ012606 Lysergene C16H16N2 236.131348 NA MeJP NA NA +C14274 4-Heptyloxybenzoic acid C14H20O3 236.1412 NA KEGG NA NA +C14718 Heptyl p-hydroxybenzoate C14H20O3 236.1412 NA KEGG NA NA +MJ012607 1,11-Dihydroxy-13-nor-6,9-eremophiladien-8-one C14H20O3 236.141244 NA MeJP NA NA +MJ012608 1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-O-(3-Methyl-2-butenyl) C14H20O3 236.141244 NA MeJP NA NA +MJ012609 12-Oxo-11-nor-8-drimen-14-oic acid C14H20O3 236.141244 NA MeJP NA NA +MJ012610 12-Tetradecene-8,10-diyne-1,3,14-triol C14H20O3 236.141244 NA MeJP NA NA +MJ012611 12-Tetradecene-8,10-diyne-1,4,5-triol C14H20O3 236.141244 NA MeJP NA NA +MJ012612 12-Tetradecene-8,10-diyne-1,7,14-triol C14H20O3 236.141244 NA MeJP NA NA +MJ012613 15-Nor-4-oxo-11(13)-eudesmen-12-oic acid C14H20O3 236.141244 NA MeJP NA NA +MJ012614 2-Heptyl-6-methoxy-1,4-benzoquinone C14H20O3 236.141244 NA MeJP NA NA +MJ012615 3-(4-Hydroxyphenyl)-1-propanol; 4'-O-(4-Hydroxy-3-methyl-2-butenyl) C14H20O3 236.141244 NA MeJP NA NA +MJ012616 3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-O-(4-Hydroxy-3-methylbutyl) C14H20O3 236.141244 NA MeJP NA NA +MJ012617 3-Hydroxy-13-nor-6-eremophilene-8,11-dione C14H20O3 236.141244 NA MeJP NA NA +MJ012618 3-[(4-Hydroxy-3-methylbutoxy)phenyl]-2-propen-1-ol C14H20O3 236.141244 NA MeJP NA NA +MJ012619 4,9-Dihydroxy-13-nor-7-eudesmen-11-one, 9-Ketone C14H20O3 236.141244 NA MeJP NA NA +MJ012620 6-Tetradecene-8,10-diyne-1,5,12-triol C14H20O3 236.141244 NA MeJP NA NA +MJ012621 9(8?7)-Abeo-8,13-dinor-11-oxo-6-eremophilen-15-oic acid; Me ester C14H20O3 236.141244 NA MeJP NA NA +MJ012622 Appenolide A C14H20O3 236.141244 NA MeJP NA NA +MJ012623 Ceratenolone C14H20O3 236.141244 NA MeJP NA NA +MJ012624 Gyrinidione C14H20O3 236.141244 NA MeJP NA NA +MJ012625 Gyrinidone C14H20O3 236.141244 NA MeJP NA NA +MJ012626 Lemnaliadione C14H20O3 236.141244 NA MeJP NA NA +MJ012627 Montiporic acid A C14H20O3 236.141244 NA MeJP NA NA +MJ012628 Norsecoswartzianin C14H20O3 236.141244 NA MeJP NA NA +MJ012629 Oxyglutinosone C14H20O3 236.141244 NA MeJP NA NA +MJ012630 Sulcatine F C14H20O3 236.141244 NA MeJP NA NA +3622 NA KTPK 236.1435 MH2+ Inhouse_peptide NA peptide +EUR486 Prostaglandine A1 F3 F3 236.144025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR486 Prostaglandine A1 F3 NA 236.144025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR486 Prostaglandine A1 F3 F3 236.144025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR486 Prostaglandine A1 F3 NA 236.144025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR486 Prostaglandine A1 F3 F3 236.144025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR486 Prostaglandine A1 F3 NA 236.144025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR486 Prostaglandine A1 F3 F3 236.144025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR486 Prostaglandine A1 F3 F3 236.144025 standards wishlist analysés sur QTOF HMDB NA NA +EUR486 Prostaglandine A1 F3 F3 236.144025 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR486 Prostaglandine A1 F3 NA 236.144025 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR486 Prostaglandine A1 F3 F3 236.144025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR486 Prostaglandine A1 F3 F3 236.144025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ012631 Ammodendrine, N-Formyl C13H20N2O2 236.152477 NA MeJP NA NA +MJ012632 Butethamine C13H20N2O2 236.152477 NA MeJP NA NA +MJ012633 Dropropizine C13H20N2O2 236.152477 NA MeJP NA NA +MJ012634 Jussiaeiine A C13H20N2O2 236.152477 NA MeJP NA NA +MJ012635 Metabutethamine C13H20N2O2 236.152477 NA MeJP NA NA +MJ012636 Procaine C13H20N2O2 236.152477 NA MeJP NA NA +MJ012637 Saletamide C13H20N2O2 236.152477 NA MeJP NA NA +C07375 Procaine C13H20N2O2 236.1525 NA KEGG NA NA +C07376 Transferred to D00478 C13H20N2O2 236.1525 NA KEGG NA NA +C07377 Transferred to D00479 C13H20N2O2 236.1525 NA KEGG NA NA +C17723 Metabutethamine C13H20N2O2 236.1525 NA KEGG NA NA +MJ012638 2-(4-Ethylphenyl)-4-phenyl-1-butene C18H20 236.1565 NA MeJP NA NA +MJ012639 4-(4-Ethylphenyl)-2-phenyl-1-butene C18H20 236.1565 NA MeJP NA NA +MJ012640 4-Methyl-2,4-diphenyl-2-pentene C18H20 236.1565 NA MeJP NA NA +MJ012641 2,6,9-Humulatriene; 6,7-Episulfide C15H24S 236.159871 NA MeJP NA NA +MJ012642 2,6,9-Humulatriene; 9,10-Episulfide C15H24S 236.159871 NA MeJP NA NA +MJ012643 Mintsulfide C15H24S 236.159871 NA MeJP NA NA +C02293 Latia luciferin C15H24O2 236.1776 NA KEGG NA NA +C09627 Capsidiol C15H24O2 236.1776 NA KEGG NA NA +C09678 Helminthosporol C15H24O2 236.1776 NA KEGG NA NA +C09681 Hernandulcin C15H24O2 236.1776 NA KEGG NA NA +C09700 Lubimin C15H24O2 236.1776 NA KEGG NA NA +C09733 Sirenin C15H24O2 236.1776 NA KEGG NA NA +C16502 Farnesoic acid C15H24O2 236.1776 NA KEGG NA NA +C16946 Cyperolone C15H24O2 236.1776 NA KEGG NA NA +C17493 Curdione C15H24O2 236.1776 NA KEGG NA NA +C17604 Kikkanol B C15H24O2 236.1776 NA KEGG NA NA +HMDB02352 Capsidiol C15H24O2 236.177628 NA HMDB2010 NA NA +HMDB02352 Capsidiol C15H24O2 236.17763 http://www.hmdb.ca/metabolites/HMDB02352 HMDB NA NA +MJ012644 1(10),11(13)-Eremophiladiene-7,12-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012645 1(10),4(15)-Lepidozadien-5-ol, 1?,10?-Epoxide C15H24O2 236.17763 NA MeJP NA NA +MJ012646 1(10),4(15)-Lepidozadien-5-ol, 5-Hydroperoxide C15H24O2 236.17763 NA MeJP NA NA +MJ012647 1(10),4-Cadinadiene-3,9-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012648 1(10)-Eremophilene-2,4-diol, 2-Ketone C15H24O2 236.17763 NA MeJP NA NA +MJ012649 1(10)-Germacrene-5,8-dione C15H24O2 236.17763 NA MeJP NA NA +MJ012650 1,10-Seco-1,10-aromadendranedione C15H24O2 236.17763 NA MeJP NA NA +MJ012651 1,2-Epoxy-3-thujopsanol C15H24O2 236.17763 NA MeJP NA NA +MJ012652 1,2:3,4-Diepoxycuparane C15H24O2 236.17763 NA MeJP NA NA +MJ012653 1,3,11(13)-Elematriene-8,12-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012654 1,3,11-Elematriene-9,14-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012655 1,3,5-Bisabolatriene-1,11-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012656 1,3,5-Bisabolatriene-1,9-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012657 1,4-Epidioxy-2,10-bisaboladiene C15H24O2 236.17763 NA MeJP NA NA +MJ012658 1,4-Epidioxy-2-cuparene C15H24O2 236.17763 NA MeJP NA NA +MJ012659 1,4-Epidioxy-5-cadinene C15H24O2 236.17763 NA MeJP NA NA +MJ012660 1,9-Seco-1,9-presilphiperfolanedione C15H24O2 236.17763 NA MeJP NA NA +MJ012661 1-Hydroperoxy-4(15),5,10(14)-germacratriene C15H24O2 236.17763 NA MeJP NA NA +MJ012662 1-Hydroxy-2,6,10-farnesatrien-9-one C15H24O2 236.17763 NA MeJP NA NA +MJ012663 1-Hydroxy-2-cuparen-4-one C15H24O2 236.17763 NA MeJP NA NA +MJ012664 1-Hydroxy-3,5,10-farnesatrien-15-al C15H24O2 236.17763 NA MeJP NA NA +MJ012665 1-Hydroxy-3-guaien-6-one C15H24O2 236.17763 NA MeJP NA NA +MJ012666 1-Hydroxy-4(15)-guaien-6-one C15H24O2 236.17763 NA MeJP NA NA +MJ012667 1-Hydroxy-4-eudesmen-6-one C15H24O2 236.17763 NA MeJP NA NA +MJ012668 10(14)-Aromadendrene-3,4-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012669 10(14)-Aromadendrene-4,12-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012670 10(14)-Aromadendrene-4,8-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012671 10(14)-Aromadendrene-4,9-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012672 10-Hydroxy-3-aromadendranone C15H24O2 236.17763 NA MeJP NA NA +MJ012673 10-Hydroxy-4-amorphen-3-one; 10?-form C15H24O2 236.17763 NA MeJP NA NA +MJ012674 10-Hydroxy-4-cadinen-3-one; 10?-form C15H24O2 236.17763 NA MeJP NA NA +MJ012675 10-Hydroxy-4-cadinen-3-one; 10?-form C15H24O2 236.17763 NA MeJP NA NA +MJ012676 10-Hydroxy-6-isodaucen-14-al C15H24O2 236.17763 NA MeJP NA NA +MJ012677 10-Sesquigeranic acid C15H24O2 236.17763 NA MeJP NA NA +MJ012678 11(13)-Eudesmene-4,12-diol, 12-Aldehyde C15H24O2 236.17763 NA MeJP NA NA +MJ012679 11(13)-Eudesmene-4,12-diol; 4?-form, 12-Aldehyde C15H24O2 236.17763 NA MeJP NA NA +MJ012680 11,12-Drimanediol; Dialdehyde C15H24O2 236.17763 NA MeJP NA NA +MJ012681 11,12-Epoxy-10(14)-guaien-4-ol C15H24O2 236.17763 NA MeJP NA NA +MJ012682 11,12-Epoxy-11-drimanol, 11-Ketone (lactone) C15H24O2 236.17763 NA MeJP NA NA +MJ012683 11,12-Epoxy-8(12)-drimen-11-ol; 11?-form C15H24O2 236.17763 NA MeJP NA NA +MJ012684 11-Campherenene-4,10-diol; 10-Ketone C15H24O2 236.17763 NA MeJP NA NA +MJ012685 11-Eudesmene-1,5-diol, 1-Ketone C15H24O2 236.17763 NA MeJP NA NA +MJ012686 11-Hydroxy-1(10)-eremophilen-2-one C15H24O2 236.17763 NA MeJP NA NA +MJ012687 11-Hydroxy-1(10)-spirovetiven-14-oic acid; Aldehyde C15H24O2 236.17763 NA MeJP NA NA +MJ012688 11-Hydroxy-1(5)-guaien-2-one C15H24O2 236.17763 NA MeJP NA NA +MJ012689 11-Hydroxy-1-eudesmen-3-one C15H24O2 236.17763 NA MeJP NA NA +MJ012690 11-Hydroxy-2,7-bisaboladien-9-one C15H24O2 236.17763 NA MeJP NA NA +MJ012691 11-Hydroxy-3-eudesmen-2-one C15H24O2 236.17763 NA MeJP NA NA +MJ012692 11-Hydroxy-4-amorphen-3-one C15H24O2 236.17763 NA MeJP NA NA +MJ012693 11-Hydroxy-4-guaien-3-one C15H24O2 236.17763 NA MeJP NA NA +MJ012694 11-Hydroxy-6-eremophilen-8-one C15H24O2 236.17763 NA MeJP NA NA +MJ012695 11-Hydroxy-8-daucen-14-al C15H24O2 236.17763 NA MeJP NA NA +MJ012696 12,11-Drimanolide C15H24O2 236.17763 NA MeJP NA NA +MJ012697 12-Hydroxy-11(13)-eudesmen-2-one C15H24O2 236.17763 NA MeJP NA NA +MJ012698 14(10?1)-Abeo-1,10-seco-11-eudesmene-1,10-dione C15H24O2 236.17763 NA MeJP NA NA +MJ012699 14(10?1)-Abeo-10-hydroxy-11-eudesmen-3-one C15H24O2 236.17763 NA MeJP NA NA +MJ012700 14(7?8)-Abeo-6-hydroxy-7,9-seco-8-lippiafolien-2-one C15H24O2 236.17763 NA MeJP NA NA +MJ012701 14-Hydroxy-11-spirovetiven-2-one C15H24O2 236.17763 NA MeJP NA NA +MJ012702 14-Hydroxy-3(15)-caryophyllen-8-one C15H24O2 236.17763 NA MeJP NA NA +MJ012703 15-Hydroxy-2,10-bisaboladien-1-one C15H24O2 236.17763 NA MeJP NA NA +MJ012704 15-Hydroxydihydro-?-agarofuran; 4?-form, 3,4-Didehydro C15H24O2 236.17763 NA MeJP NA NA +MJ012705 2,10-Bisaboladiene-1,12-diol; 1-Ketone C15H24O2 236.17763 NA MeJP NA NA +MJ012706 2,10-Bisaboladiene-1,12-diol; 12-Aldehyde C15H24O2 236.17763 NA MeJP NA NA +MJ012707 2,10-Bisaboladiene-1,6-diol; 1-Ketone C15H24O2 236.17763 NA MeJP NA NA +MJ012708 2,10-Bisaboladiene-7,15-diol, 15-Aldehyde C15H24O2 236.17763 NA MeJP NA NA +MJ012709 2,3-Epoxy-10-bisabolen-1-one C15H24O2 236.17763 NA MeJP NA NA +MJ012710 2,3-Seco-2,3-africananedione C15H24O2 236.17763 NA MeJP NA NA +MJ012711 2,3:6,7-Diepoxy-9-humulene C15H24O2 236.17763 NA MeJP NA NA +MJ012712 2,4,5-Tetradecatrienoic acid, Me ester C15H24O2 236.17763 NA MeJP NA NA +MJ012713 2,5-Epoxy-1(6)-brasilen-9-ol C15H24O2 236.17763 NA MeJP NA NA +MJ012714 2,6,10-Farnesatrien-1-oic acid C15H24O2 236.17763 NA MeJP NA NA +MJ012715 2,6,9-Humulatrien-14-ol; 6?,7?-Epoxide C15H24O2 236.17763 NA MeJP NA NA +MJ012716 2,6,9-Humulatrien-8-ol, Hydroperoxide C15H24O2 236.17763 NA MeJP NA NA +MJ012717 2,6-Bicyclohumulanedione C15H24O2 236.17763 NA MeJP NA NA +MJ012718 2,6-Di-tert-butyl-4-methoxyphenol C15H24O2 236.17763 NA MeJP NA NA +MJ012719 2-Allohimachalene-4,6-diol, 4-Ketone C15H24O2 236.17763 NA MeJP NA NA +MJ012720 2-Allohimachalene-4,6-diol, 6-Ketone C15H24O2 236.17763 NA MeJP NA NA +MJ012721 2-Butyl-5-pentyl-1,3-benzenediol C15H24O2 236.17763 NA MeJP NA NA +MJ012722 2-Hexyl-5-propyl-1,3-benzenediol C15H24O2 236.17763 NA MeJP NA NA +MJ012723 2-Hydroxy-11-eremophilen-9-one C15H24O2 236.17763 NA MeJP NA NA +MJ012724 2-Hydroxy-11-spirovetiven-14-al C15H24O2 236.17763 NA MeJP NA NA +MJ012725 2-Hydroxy-3(15)-bicyclohumulen-6-one C15H24O2 236.17763 NA MeJP NA NA +MJ012726 2-Pinen-10-ol, 3-Methylbutanoyl C15H24O2 236.17763 NA MeJP NA NA +MJ012727 2-Pinen-6-ol, 3-Methylbutanoyl C15H24O2 236.17763 NA MeJP NA NA +MJ012728 2-Sterpurene-10,15-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012729 2-Sterpurene-4,15-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012730 2-Sterpurene-5,15-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012731 2-Sterpurene-6,10-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012732 2-Sterpurene-8,15-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012733 3(15),6-Caryophylladien-14-oic acid, 6,7-Dihydro C15H24O2 236.17763 NA MeJP NA NA +MJ012734 3(15),6-Caryophylladien-14-oic acid, 6?,7?-Epoxide, 14-alcohol C15H24O2 236.17763 NA MeJP NA NA +MJ012735 3(15),6-Caryophylladiene-5,8-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012736 3(15),7(14),9-Humulatriene-2,6-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012737 3(15),7-Caryophylladien-6-ol, 7?,8?-Epoxide C15H24O2 236.17763 NA MeJP NA NA +MJ012738 3(15)-Gymnomitrene-1,10-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012739 3,10(14),11-Germacratriene-1,9-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012740 3,10-Epoxy-4-cadinene, 1-Hydroxy C15H24O2 236.17763 NA MeJP NA NA +MJ012741 3,11(13)-Eudesmadiene-1,12-diol; 1?-form C15H24O2 236.17763 NA MeJP NA NA +MJ012742 3,11(13)-Eudesmadiene-12,15-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012743 3,11-Eudesmadiene-1,14-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012744 3,5-Eudesmadiene-1,15-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012745 3,6-Caryolanediol, 6-Ketone C15H24O2 236.17763 NA MeJP NA NA +MJ012746 3,6-Epidioxy-1,10-bisaboladiene C15H24O2 236.17763 NA MeJP NA NA +MJ012747 3,6-Epidioxy-1-cuparene C15H24O2 236.17763 NA MeJP NA NA +MJ012748 3,6-Epoxy-1-allohimachalen-6-ol C15H24O2 236.17763 NA MeJP NA NA +MJ012749 3,7(14),10-Bisabolatrien-2-one; 10,11-Dihydro, 11-hydroxy C15H24O2 236.17763 NA MeJP NA NA +MJ012750 3,7-Dimethyl-2,4,6-octatrien-1-ol, 3-Methylbutanoyl C15H24O2 236.17763 NA MeJP NA NA +MJ012751 3,7-Epoxy-1,10-farnesadien-6-ol; 6?-form, 6-Ketone C15H24O2 236.17763 NA MeJP NA NA +MJ012752 3,8-Acoranedione C15H24O2 236.17763 NA MeJP NA NA +MJ012753 3-(3-Hydroxy-3-methyl-4-pentenyl)-2,2,4-trimethyl-3-cyclohexen-1-one C15H24O2 236.17763 NA MeJP NA NA +MJ012754 3-Eudesmene-11,15-diol; 15-Aldehyde C15H24O2 236.17763 NA MeJP NA NA +MJ012755 3-Hydroxy-1,10-bisaboladien-9-one C15H24O2 236.17763 NA MeJP NA NA +MJ012756 3-Hydroxy-1,6,10-farnesatrien-12-al C15H24O2 236.17763 NA MeJP NA NA +MJ012757 3-Hydroxy-1,6,10-farnesatrien-8-one C15H24O2 236.17763 NA MeJP NA NA +MJ012758 3-Hydroxy-1,6,10-phytatrien-9-one C15H24O2 236.17763 NA MeJP NA NA +MJ012759 3-Hydroxy-11-eremophilen-9-one C15H24O2 236.17763 NA MeJP NA NA +MJ012760 3-Hydroxy-4-gymnomitranone C15H24O2 236.17763 NA MeJP NA NA +MJ012761 3-Hydroxy-6-isocaryolanone C15H24O2 236.17763 NA MeJP NA NA +MJ012762 3-Hydroxy-9-cedranone C15H24O2 236.17763 NA MeJP NA NA +MJ012763 3-Longipinene-12,13-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012764 3-Longipinene-12,15-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012765 4(15),11(13)-Eudesmadien-12-oic acid; 11?,13-Dihydro C15H24O2 236.17763 NA MeJP NA NA +MJ012766 4(15),11(13)-Eudesmadiene-1,12-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012767 4(15),11(13)-Eudesmadiene-3,12-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012768 4(15),11(13)-Eudesmadiene-7,12-diol; 7?-form C15H24O2 236.17763 NA MeJP NA NA +MJ012769 4(15),11-Eudesmadiene-1,14-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012770 4(15)-Eudesmene-3,11-diol; 3?-form, 3-Ketone C15H24O2 236.17763 NA MeJP NA NA +MJ012771 4(6),7-Lactaradiene-5,14-dial, Dialcohol C15H24O2 236.17763 NA MeJP NA NA +MJ012772 4,10(14)-Cadinadien-2-ol, 10?,14-Epoxide C15H24O2 236.17763 NA MeJP NA NA +MJ012773 4,10(14)-Cadinadien-2-ol, 4?,5?-Epoxide C15H24O2 236.17763 NA MeJP NA NA +MJ012774 4,10(14)-Cadinadiene-2,9-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012775 4,10-Pinguisadiene-2,7-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012776 4,11(13)-Amorphadien-12-oic acid; 11R,13-Dihydro C15H24O2 236.17763 NA MeJP NA NA +MJ012777 4,14-Epoxy-11-eudesmen-1-ol C15H24O2 236.17763 NA MeJP NA NA +MJ012778 4,5-Seco-11-eudesmene-4,5-dione; 10?-form C15H24O2 236.17763 NA MeJP NA NA +MJ012779 4,5-Seco-11-eudesmene-4,5-dione; 10?-form C15H24O2 236.17763 NA MeJP NA NA +MJ012780 4,6-Eudesmadiene-3,8-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012781 4,7,10-Tridecatrien-1-ol, Ac C15H24O2 236.17763 NA MeJP NA NA +MJ012782 4,7-Epoxy-1-himachalen-3-ol C15H24O2 236.17763 NA MeJP NA NA +MJ012783 4-Amorphene-11,15-diol; 15-Aldehyde C15H24O2 236.17763 NA MeJP NA NA +MJ012784 4-Cadinene-3,10-diol, 3-Ketone C15H24O2 236.17763 NA MeJP NA NA +MJ012785 4-Eudesmen-6-one; 7?-Hydroxy C15H24O2 236.17763 NA MeJP NA NA +MJ012786 4-Eudesmene-3,11-diol; 3?-form, 3-Ketone C15H24O2 236.17763 NA MeJP NA NA +MJ012787 4-Hydroxy-10(14)-oplopen-3-one C15H24O2 236.17763 NA MeJP NA NA +MJ012788 4-Hydroxy-2,10-bisaboladien-1-one; 4?-form C15H24O2 236.17763 NA MeJP NA NA +MJ012789 4-Muurolene-3,10-diol, 3-Ketone C15H24O2 236.17763 NA MeJP NA NA +MJ012790 4-Muurolene-7,15-diol, 15-Aldehyde C15H24O2 236.17763 NA MeJP NA NA +MJ012791 5,10(14)-Guaiadiene-2,4-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012792 5,11-Epoxy-15-guaianol, Aldehyde C15H24O2 236.17763 NA MeJP NA NA +MJ012793 5,6:7,8-Diepoxyeudesmane C15H24O2 236.17763 NA MeJP NA NA +MJ012794 5,8-Epidioxy-6-eudesmene C15H24O2 236.17763 NA MeJP NA NA +MJ012795 5,8-Epoxy-9-guaien-8-ol C15H24O2 236.17763 NA MeJP NA NA +MJ012796 5,9-Epoxy-1,6,10-farnesatrien-3-ol C15H24O2 236.17763 NA MeJP NA NA +MJ012797 5-(2,4-Dimethylheptyl)-3-methyl-2H-pyran-2-one C15H24O2 236.17763 NA MeJP NA NA +MJ012798 5-Hydroxy-6-eudesmen-8-one C15H24O2 236.17763 NA MeJP NA NA +MJ012799 5-Hydroxy-p-menth-1-en-6-one, Angeloyl C15H24O2 236.17763 NA MeJP NA NA +MJ012800 5-Methyl-2-methylene-3-vinyl-4-hexen-1-ol, 2-Methylbutanoyl C15H24O2 236.17763 NA MeJP NA NA +MJ012801 6,10-Epidioxy-8-guaien-7-ol C15H24O2 236.17763 NA MeJP NA NA +MJ012802 6,7-Epoxy-10(14)-guaien-4-ol C15H24O2 236.17763 NA MeJP NA NA +MJ012803 6,7-Epoxy-3(15)-caryophyllen-12-ol C15H24O2 236.17763 NA MeJP NA NA +MJ012804 6-Hydroxy-2-lippifolianone C15H24O2 236.17763 NA MeJP NA NA +MJ012805 6-Hydroxy-3(15),7(14)-caryophylladien-8-one, 7?,14-Dihydro C15H24O2 236.17763 NA MeJP NA NA +MJ012806 7(11)-Copaene-4,12-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012807 7(14),11-Isodaucadiene-2,8-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012808 7,10-Epoxy-2-guaianol, 2-Ketone C15H24O2 236.17763 NA MeJP NA NA +MJ012809 7,12-Cyclo-6,11-epoxy-4-dumortanol C15H24O2 236.17763 NA MeJP NA NA +MJ012810 7-Drimen-11,12-olide; 11?-Alcohol C15H24O2 236.17763 NA MeJP NA NA +MJ012811 7-Drimen-11,12-olide; 11?-Alcohol C15H24O2 236.17763 NA MeJP NA NA +MJ012812 7-Hydroxy-1,3-elemadien-6-one C15H24O2 236.17763 NA MeJP NA NA +MJ012813 7-Hydroxy-2,10-bisaboladien-1-one C15H24O2 236.17763 NA MeJP NA NA +MJ012814 7-Hydroxy-2,10-bisaboladien-15-oic acid, 15-Aldehyde C15H24O2 236.17763 NA MeJP NA NA +MJ012815 7-Hydroxy-2,10-bisaboladien-9-one C15H24O2 236.17763 NA MeJP NA NA +MJ012816 7-Hydroxy-3,10-bisaboladien-2-one C15H24O2 236.17763 NA MeJP NA NA +MJ012817 7-Hydroxy-4-amorphen-3-one C15H24O2 236.17763 NA MeJP NA NA +MJ012818 7-Marasmene-5,14-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012819 8(12)-Drimen-11-ol, 11-Carboxylic acid C15H24O2 236.17763 NA MeJP NA NA +MJ012820 8-Acetyloctahydro-3a,7,7-trimethyl-2(1H)-azulenone C15H24O2 236.17763 NA MeJP NA NA +MJ012821 8-Hydroxy-1,11-eremophiladien-9-one; 8?-form, 1,2-Dihydro C15H24O2 236.17763 NA MeJP NA NA +MJ012822 8-Hydroxy-10(14)-oplopen-4-one; 8?-form C15H24O2 236.17763 NA MeJP NA NA +MJ012823 8-Hydroxy-11-eremophilen-2-one C15H24O2 236.17763 NA MeJP NA NA +MJ012824 8-Hydroxy-4-acoren-3-one C15H24O2 236.17763 NA MeJP NA NA +MJ012825 8-Hydroxy-4-amorphen-3-one C15H24O2 236.17763 NA MeJP NA NA +MJ012826 9(12)-Capnellene-8,10-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012827 9,11-Eremophiladiene-1,3-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012828 9,11-Guaiadiene-3,4-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012829 9-Humulene-2,6-dione C15H24O2 236.17763 NA MeJP NA NA +MJ012830 9-Hydroxy-10(14)-oplopen-4-one C15H24O2 236.17763 NA MeJP NA NA +MJ012831 9-Hydroxy-11-eudesmen-1-one C15H24O2 236.17763 NA MeJP NA NA +MJ012832 9-Oxo-2-bisabolen-15-oic acid, 15-Aldehyde C15H24O2 236.17763 NA MeJP NA NA +MJ012833 ?-Santala-3(15),10-dien-12-ol, 13-Hydroxy C15H24O2 236.17763 NA MeJP NA NA +MJ012834 Acoradiepoxide C15H24O2 236.17763 NA MeJP NA NA +MJ012835 Ageraborniol C15H24O2 236.17763 NA MeJP NA NA +MJ012836 Alpiniol C15H24O2 236.17763 NA MeJP NA NA +MJ012837 Anthoplalone C15H24O2 236.17763 NA MeJP NA NA +MJ012838 Apotrichothecene C15H24O2 236.17763 NA MeJP NA NA +MJ012839 Artemone C15H24O2 236.17763 NA MeJP NA NA +MJ012840 Calamensesquiterpinenol C15H24O2 236.17763 NA MeJP NA NA +MJ012841 Chiloscypholone C15H24O2 236.17763 NA MeJP NA NA +MJ012842 Chokol C; 11-Aldehyde C15H24O2 236.17763 NA MeJP NA NA +MJ012843 Curcumalactone C15H24O2 236.17763 NA MeJP NA NA +MJ012844 Curcumenone; 4S-Alcohol C15H24O2 236.17763 NA MeJP NA NA +MJ012845 Curcumol C15H24O2 236.17763 NA MeJP NA NA +MJ012846 Cyclodebneyol C15H24O2 236.17763 NA MeJP NA NA +MJ012847 Cyperolone C15H24O2 236.17763 NA MeJP NA NA +MJ012848 Davanone C15H24O2 236.17763 NA MeJP NA NA +MJ012849 Euphoranin E C15H24O2 236.17763 NA MeJP NA NA +MJ012850 Ferujaesenol C15H24O2 236.17763 NA MeJP NA NA +MJ012851 Helminthosporal; 14-Alcohol C15H24O2 236.17763 NA MeJP NA NA +MJ012852 Heterocurvistone C15H24O2 236.17763 NA MeJP NA NA +MJ012853 Hydroxydavanone; 11-Deoxy C15H24O2 236.17763 NA MeJP NA NA +MJ012854 Isotrichodiol; 2-Deoxy C15H24O2 236.17763 NA MeJP NA NA +MJ012855 Jasionone; 11-Hydroxy C15H24O2 236.17763 NA MeJP NA NA +MJ012856 Jasonol C15H24O2 236.17763 NA MeJP NA NA +MJ012857 Jinkohol II; 1'-Carboxylic acid C15H24O2 236.17763 NA MeJP NA NA +MJ012858 Latia Luciferin C15H24O2 236.17763 NA MeJP NA NA +MJ012859 Laurenone A C15H24O2 236.17763 NA MeJP NA NA +MJ012860 Lavandulol, O-(3-Methyl-2-butenoyl) C15H24O2 236.17763 NA MeJP NA NA +MJ012861 Lemnacarnol; 2-Deoxy C15H24O2 236.17763 NA MeJP NA NA +MJ012862 Occidenol C15H24O2 236.17763 NA MeJP NA NA +MJ012863 Oumarone C15H24O2 236.17763 NA MeJP NA NA +MJ012864 Prehelminthosporol C15H24O2 236.17763 NA MeJP NA NA +MJ012865 Pseudotsugonoxide C15H24O2 236.17763 NA MeJP NA NA +MJ012866 Raikovenal C15H24O2 236.17763 NA MeJP NA NA +MJ012867 Sativenediol; (-)-cis-form C15H24O2 236.17763 NA MeJP NA NA +MJ012868 Sativenediol; (-)-trans-form C15H24O2 236.17763 NA MeJP NA NA +MJ012869 Secobotrytriendiol C15H24O2 236.17763 NA MeJP NA NA +MJ012870 Senecrassidiol; 6-Deoxy, 5-oxo C15H24O2 236.17763 NA MeJP NA NA +MJ012871 Sirenin C15H24O2 236.17763 NA MeJP NA NA +MJ012872 Spironippol C15H24O2 236.17763 NA MeJP NA NA +MJ012873 Tanavulgarol C15H24O2 236.17763 NA MeJP NA NA +MJ012874 Trifarienol A; 14-Ketone C15H24O2 236.17763 NA MeJP NA NA +MJ012875 Valerianoid B; 8-Ketone C15H24O2 236.17763 NA MeJP NA NA +MJ012876 ?-Agarofuran; 3?,4?-Epoxide C15H24O2 236.17763 NA MeJP NA NA +MJ012877 ?-Agarofuran; 3?,4?-Epoxide C15H24O2 236.17763 NA MeJP NA NA +MJ012878 ?-Santal-10-en-12-ol, Carboxylic acid, 11,12-dihydro C15H24O2 236.17763 NA MeJP NA NA +MJ012879 ?-Santal-10-ene-12,13-diol C15H24O2 236.17763 NA MeJP NA NA +MJ012880 ?-Santal-11-en-10-ol; 10-Hydroperoxide C15H24O2 236.17763 NA MeJP NA NA +MJ012881 ?-Santal-11-en-10-ol; Diastereoisomer, 10-hydroperoxide C15H24O2 236.17763 NA MeJP NA NA +MJ012882 ?-Santal-9-en-11-ol, 11-Hydroperoxide C15H24O2 236.17763 NA MeJP NA NA +MetaCyc02169 latia-luciferin [] C15H24O2 236.17763 21730-91-6 metacyc NA NA +MetaCyc02170 lubimin [] C15H24O2 236.17763 NA metacyc NA NA +MetaCyc02171 capsidiol [] C15H24O2 236.17763 NA metacyc NA NA +MetaCyc02172 dihydroartemisinate [dihydroartemisinic acid;dihydroarteannuic acid;] C15H24O2 236.17763 NA metacyc NA NA +HMDB02352 Capsidiol C15H24O2 236.17763 HMDB02352 PFEM_hmdb_metabocards_official NA NA +MJ012883 Dendrobates Alkaloid 252; Deoxy C14H24N2O 236.188863 NA MeJP NA NA +MJ012884 10,12-Hexadecadienal C16H28O 236.214015 NA MeJP NA NA +MJ012885 10,13-Hexadecadienal C16H28O 236.214015 NA MeJP NA NA +MJ012886 11,13-Hexadecadienal C16H28O 236.214015 NA MeJP NA NA +MJ012887 11-Eudesmen-4-ol, Me ether C16H28O 236.214015 NA MeJP NA NA +MJ012888 11-Guaien-10-ol, Me ether C16H28O 236.214015 NA MeJP NA NA +MJ012889 13,14,15,16-Tetranor-5-halimen-17-ol C16H28O 236.214015 NA MeJP NA NA +MJ012890 2,6-Di-tert-butyl-4,4-dimethyl-2,5-cyclohexadien-1-ol C16H28O 236.214015 NA MeJP NA NA +MJ012891 3-(5,6,6-Trimethylbicyclo[2.2.1]hept-1-yl)cyclohexanol C16H28O 236.214015 NA MeJP NA NA +MJ012892 4,6,10-Hexadecatrien-1-ol C16H28O 236.214015 NA MeJP NA NA +MJ012893 4-Cadinen-10-ol; 10?-form, Me ether C16H28O 236.214015 NA MeJP NA NA +MJ012894 6,11-Hexadecadienal C16H28O 236.214015 NA MeJP NA NA +MJ012895 7,11-Hexadecadienal C16H28O 236.214015 NA MeJP NA NA +MJ012896 7-Isopropyl-2,10-dimethyl-8,10-undecadien-4-one C16H28O 236.214015 NA MeJP NA NA +MJ012897 8,12-Epoxy-13,14,15,16-tetranorlabdane; 8?-form C16H28O 236.214015 NA MeJP NA NA +MJ012898 9,11-Hexadecadienal C16H28O 236.214015 NA MeJP NA NA +MJ012899 1,8-Heptadecadiene C17H32 236.250401 NA MeJP NA NA +MJ012900 4,8-Heptadecadiene C17H32 236.250401 NA MeJP NA NA +MJ012901 6,9-Heptadecadiene C17H32 236.250401 NA MeJP NA NA +7927 synthetic peptide EYY 236.584 MH2+ Inhouse_peptide NA peptide +7928 synthetic peptide YEY 236.584 MH2+ Inhouse_peptide NA peptide +7929 synthetic peptide YYE 236.584 MH2+ Inhouse_peptide NA peptide +7811 ACE inhibitor from tuna VWIG 236.626 MH2+ Inhouse_peptide NA peptide +7414 ACE inhibitor LRW 236.632 MH2+ Inhouse_peptide NA peptide +8016 synthetic peptide LWR 236.632 MH2+ Inhouse_peptide NA peptide +8075 synthetic peptide RWI 236.632 MH2+ Inhouse_peptide NA peptide +8076 synthetic peptide RWL 236.632 MH2+ Inhouse_peptide NA peptide +8213 Antioxidative peptide IRW 236.632 MH2+ Inhouse_peptide NA peptide +3753 NA KKKA 236.6595 MH2+ Inhouse_peptide NA peptide +MJ012902 7-Bromo-8-hydroxy-5-methylquinoline C10H8BrNO 236.978926 NA MeJP NA NA +MJ012903 Drazoxolon C10H8ClN3O2 237.030504 NA MeJP NA NA +MJ012904 S-Cysteinosuccinic acid C7H11NO6S 237.030707 NA MeJP NA NA +MJ012905 Cloguanamil C9H8ClN5O 237.041737 NA MeJP NA NA +MJ012906 4,5-Dihydro-2-(2-hydroxyphenyl)-4-methyl-4-thiazolecarboxylic acid C11H11NO3S 237.045963 NA MeJP NA NA +MJ012907 Nesosteine C11H11NO3S 237.045963 NA MeJP NA NA +MJ012908 ?-(4-Hydroxy-3-methoxyphenyl)-2-thiazolemethanol C11H11NO3S 237.045963 NA MeJP NA NA +C11080 Cartap C7H15N3O2S2 237.0606 NA KEGG NA NA +MJ012909 2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid, Me ester C11H11NO5 237.063722 NA MeJP NA NA +MJ012910 2-Aminobenzoic acid; N-Succinoyl C11H11NO5 237.063722 NA MeJP NA NA +MJ012911 Aspartic acid, N-Benzoyl C11H11NO5 237.063722 NA MeJP NA NA +MJ012912 Dioxolide A; 3a,4-Didehydro, O-Ac C11H11NO5 237.063722 NA MeJP NA NA +MJ012913 2-Amino-4-mercaptobutanoic acid, S-(3-Carboxy-3-hydroxypropyl) C8H15NO5S 237.067093 NA MeJP NA NA +MJ012914 1,11b-Dihydro[1]benzopyrano[4,3,2-de]isoquinolin-3(2H)-one C15H11NO2 237.078978 NA MeJP NA NA +MJ012915 2,3-Dihydroxy-4-phenylquinoline C15H11NO2 237.078978 NA MeJP NA NA +MJ012916 2-Hydroxy-2-phenylacetonitrile, Benzoyl C15H11NO2 237.078978 NA MeJP NA NA +MJ012917 8,9-Methylenedioxyphenanthridine; N-Me C15H12NO2(+) 237.078978 NA MeJP NA NA +C14263 N-Benzylphthalimide C15H11NO2 237.079 NA KEGG NA NA +C14903 2,3-Bis(p-hydroxyphenyl)acrylonitrile C15H11NO2 237.079 NA KEGG NA NA +MJ012918 Ambazone C8H11N7S 237.079664 NA MeJP NA NA +MetaCyc02173 N-Acetyl-D-glucosaminate [] C8H15N1O7 237.084852 NA metacyc NA NA +C01133 N-Acetyl-D-glucosaminate C8H15NO7 237.0849 NA KEGG NA NA +C03146 N-Glycolyl-D-glucosamine C8H15NO7 237.0849 NA KEGG NA NA +C03521 N-Glycolyl-D-mannosamine C8H15NO7 237.0849 NA KEGG NA NA +CJpos0602 Biopterin isomer [(M+H)]+ C9H12N5O3 237.085675 C18rt(min)=5.15 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0602 Biopterin isomer [(M+H)]+ C9H12N5O3 237.085675 C18rt(min)=5.15 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +HMDB00238 Sepiapterin C9H11N5O3 237.086182 NA HMDB2010 NA NA +HMDB00468 Biopterin C9H11N5O3 237.086182 NA HMDB2010 NA NA +HMDB00633 D-Biopterin C9H11N5O3 237.086182 NA HMDB2010 NA NA +HMDB00817 Orinapterin C9H11N5O3 237.086182 NA HMDB2010 NA NA +HMDB01195 Dyspropterin C9H11N5O3 237.086182 NA HMDB2010 NA NA +HMDB02263 Primapterin C9H11N5O3 237.086182 NA HMDB2010 NA NA +MJ012919 6-Pyruvoyltetrahydropterin C9H11N5O3 237.086189 NA MeJP NA NA +MJ012920 5,6,7,8-Tetrahydrobiopterin, 1',2'-Diketone C9H11N5O3 237.086189 NA MeJP NA NA +MJ012921 Anapterin, 3'-Deoxy C9H11N5O3 237.086189 NA MeJP NA NA +MJ012922 Biopterin C9H11N5O3 237.086189 NA MeJP NA NA +MJ012923 Eritadenine, 3-Deoxy C9H11N5O3 237.086189 NA MeJP NA NA +MJ012924 Sepiapterin C9H11N5O3 237.086189 NA MeJP NA NA +MetaCyc02174 sepiapterin [] C9H11N5O3 237.086189 17094-01-8 metacyc NA NA +MetaCyc02175 6-pyruvoyltetrahydropterin [6-pyruvoyl-5,6,7,8-tetrahydropterin;6-(1,2-Dioxopropyl)-5,6,7,8-tetrahydropterin;pyruvoyl-H4-pterin;] C9H11N5O3 237.086189 NA metacyc NA NA +HMDB00468 Biopterin C9H11N5O3 237.0862 http://www.hmdb.ca/metabolites/HMDB00468 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00238 Sepiapterin C9H11N5O3 237.0862 http://www.hmdb.ca/metabolites/HMDB00238 HMDB NA NA +HMDB00468 Biopterin C9H11N5O3 237.0862 http://www.hmdb.ca/metabolites/HMDB00468 HMDB NA NA +HMDB00633 D-Biopterin C9H11N5O3 237.0862 http://www.hmdb.ca/metabolites/HMDB00633 HMDB NA NA +HMDB00817 Orinapterin C9H11N5O3 237.0862 http://www.hmdb.ca/metabolites/HMDB00817 HMDB NA NA +HMDB01195 Dyspropterin C9H11N5O3 237.0862 http://www.hmdb.ca/metabolites/HMDB01195 HMDB NA NA +HMDB02263 Primapterin C9H11N5O3 237.0862 http://www.hmdb.ca/metabolites/HMDB02263 HMDB NA NA +C00835 Sepiapterin C9H11N5O3 237.0862 NA KEGG NA NA +C03684 6-Pyruvoyltetrahydropterin C9H11N5O3 237.0862 NA KEGG NA NA +C06313 Biopterin C9H11N5O3 237.0862 NA KEGG NA NA +HMDB00468 Biopterin C9H11N5O3 237.0862 http://www.hmdb.ca/metabolites/HMDB00468 PFEM_hmdb_metabocards_blood NA blood +HMDB00238 Sepiapterin C9H11N5O3 237.0862 HMDB00238 PFEM_hmdb_metabocards_official NA NA +HMDB00468 Biopterin C9H11N5O3 237.0862 HMDB00468 PFEM_hmdb_metabocards_official NA NA +HMDB00633 D-Biopterin C9H11N5O3 237.0862 HMDB00633 PFEM_hmdb_metabocards_official NA NA +HMDB00817 Orinapterin C9H11N5O3 237.0862 HMDB00817 PFEM_hmdb_metabocards_official NA NA +HMDB01195 Dyspropterin C9H11N5O3 237.0862 HMDB01195 PFEM_hmdb_metabocards_official NA NA +HMDB02263 Primapterin C9H11N5O3 237.0862 HMDB02263 PFEM_hmdb_metabocards_official NA NA +C07525 Ketamine C13H16ClNO 237.092 NA KEGG NA NA +MJ012925 Ketamine C13H16ClNO 237.092041 NA MeJP NA NA +MJ012926 -(3,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether, amide C12H15NO4 237.100107 NA MeJP NA NA +MJ012927 1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxyisoquinolineyl C12H15NO4 237.100107 NA MeJP NA NA +MJ012928 3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether, amide C12H15NO4 237.100107 NA MeJP NA NA +MJ012929 4-Amino-2-hydroxybenzoic acid; O-Et, N-Ac, Me ester C12H15NO4 237.100107 NA MeJP NA NA +MJ012930 5-(Hydroxymethyl)-3-(4-methoxyphenyl)-2-oxazolidinone, 5-Me ether C12H15NO4 237.100107 NA MeJP NA NA +MJ012931 Cotarnine C12H15NO4 237.100107 NA MeJP NA NA +MJ012932 Cyclodopa, O5,N,N-Tri-Me C12H15NO4 237.100107 NA MeJP NA NA +MJ012933 Flavipucine C12H15NO4 237.100107 NA MeJP NA NA +MJ012934 Fruit rot toxin A C12H15NO4 237.100107 NA MeJP NA NA +MJ012935 Fumariflorine C12H15NO4 237.100107 NA MeJP NA NA +MJ012936 Funebradiol C12H15NO4 237.100107 NA MeJP NA NA +MJ012937 Funebral C12H15NO4 237.100107 NA MeJP NA NA +MJ012938 Isoflavipucine C12H15NO4 237.100107 NA MeJP NA NA +8070 synthetic peptide RHY 237.111 MH2+ Inhouse_peptide NA peptide +8077 synthetic peptide RWN 237.11145 MH2+ Inhouse_peptide NA peptide +MJ012939 10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxylic acid; Amide C16H15NO 237.115364 NA MeJP NA NA +MJ012940 4-[[2-(1-Methyl-2-pyrrolidinyl)ethyl]thio]phenol C13H19NOS 237.118734 NA MeJP NA NA +MJ012941 1,2,3,4-Tetrahydro-5,6,7-trimethoxy-2-methylisoquinoline C13H19NO3 237.136493 NA MeJP NA NA +MJ012942 1,2,3,4-Tetrahydro-5-hydroxy-6,7-dimethoxy-1,2-dimethylisoquinoline C13H19NO3 237.136493 NA MeJP NA NA +MJ012943 1,2,3,4-Tetrahydro-6,7,8-trimethoxy-1-methylisoquinoline C13H19NO3 237.136493 NA MeJP NA NA +MJ012944 1,2,3,4-Tetrahydro-6-hydroxy-7,8-dimethoxy-1-methylisoquinoline; N-Me C13H19NO3 237.136493 NA MeJP NA NA +MJ012945 1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxy-1,2-dimethylisoquinoline C13H19NO3 237.136493 NA MeJP NA NA +MJ012946 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-(3-Methyl-2-butenoyl) C13H19NO3 237.136493 NA MeJP NA NA +MJ012947 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-Angeloyl C13H19NO3 237.136493 NA MeJP NA NA +MJ012948 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O9-(3-Methyl-2-butenoyl) C13H19NO3 237.136493 NA MeJP NA NA +MJ012949 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O9-Angeloyl C13H19NO3 237.136493 NA MeJP NA NA +MJ012950 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-Angeloyl C13H19NO3 237.136493 NA MeJP NA NA +MJ012951 2-tert-Butyl-1,2,3,4-tetrahydro-4,6,8-trihydroxyisoquinoline C13H19NO3 237.136493 NA MeJP NA NA +MJ012952 3,4-Dimethoxybenzoic acid; 2-Methylpropylamide C13H19NO3 237.136493 NA MeJP NA NA +MJ012953 7-Hydroxy-1-methylenepyrrolizidine, Angeloyl, N-oxide C13H19NO3 237.136493 NA MeJP NA NA +MJ012954 Angustimaline C13H19NO3 237.136493 NA MeJP NA NA +MJ012955 Campestrine C13H19NO3 237.136493 NA MeJP NA NA +MJ012956 Codonopsine; 3'-Demethoxy C13H19NO3 237.136493 NA MeJP NA NA +MJ012957 Detanosal C13H19NO3 237.136493 NA MeJP NA NA +MJ012958 Dioscorine; N-Oxide C13H19NO3 237.136493 NA MeJP NA NA +MJ012959 Kuwaitimycin C13H19NO3 237.136493 NA MeJP NA NA +MJ012960 Nilemycin C13H19NO3 237.136493 NA MeJP NA NA +MJ012961 Viloxazine C13H19NO3 237.136493 NA MeJP NA NA +MJ012962 1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxy-2-methylisoquinoline; N-Me C13H20NO3(+) 237.136493 NA MeJP NA NA +C09445 Gigantine C13H19NO3 237.1365 NA KEGG NA NA +C09604 (-)-Pellotine C13H19NO3 237.1365 NA KEGG NA NA +C10278 O-7-Angelylheliotridine C13H19NO3 237.1365 NA KEGG NA NA +C16705 Anhalonine C13H19NO3 237.1365 NA KEGG NA NA +MJ012963 Murexine; N-Me C12H20N3O2(+) 237.147726 NA MeJP NA NA +MJ012964 2-(Diphenylmethylene)butylamine C17H19N 237.151749 NA MeJP NA NA +MJ012965 3-Phenyl-1-indanamine, N,N-Di-Me C17H19N 237.151749 NA MeJP NA NA +MJ012966 Tametraline C17H19N 237.151749 NA MeJP NA NA +C05314 N-Methyl-(R,S)-tetrahydrobenzylisoquinoline C17H19N 237.1518 NA KEGG NA NA +MJ012967 Argvalin C11H19N5O 237.15896 NA MeJP NA NA +MJ012968 Piroctone C14H23NO2 237.172878 NA MeJP NA NA +MJ012969 2,4-Decadienoic acid, 2-Methylbutylamide C15H27NO 237.209264 NA MeJP NA NA +MJ012970 2,4-Decadienoic acid, 3-Methylbutylamide C15H27NO 237.209264 NA MeJP NA NA +MJ012971 2,4-Undecadienoic acid, 2-Methylpropylamide C15H27NO 237.209264 NA MeJP NA NA +MJ012972 3-Butyl-5-propanoylindolizidine C15H27NO 237.209264 NA MeJP NA NA +MJ012973 7-Amino-2,10-bisaboladiene, ?11-Isomer, 10R-hydroxy C15H27NO 237.209264 NA MeJP NA NA +MJ012974 7-Amino-2,10-bisaboladiene, ?11-Isomer, 10S-hydroxy C15H27NO 237.209264 NA MeJP NA NA +MJ012975 7-Amino-2,10-bisaboladiene, ?9-Isomer, 11-hydroxy C15H27NO 237.209264 NA MeJP NA NA +MJ012976 Dendrobates Alkaloid 237A C15H27NO 237.209264 NA MeJP NA NA +MJ012977 Poranthericine C15H27NO 237.209264 NA MeJP NA NA +MJ012978 Porantheridine C15H27NO 237.209264 NA MeJP NA NA +MJ012979 5-Butyl-6,8-diethylindolizidine C16H31N 237.245649 NA MeJP NA NA +MJ012980 Dendrobates Alkaloid 237D C16H31N 237.245649 NA MeJP NA NA +3407 ACE inhibitor MYY 237.5832 MH2+ Inhouse_peptide NA peptide +7949 synthetic peptide YYM 237.5832 MH2+ Inhouse_peptide NA peptide +7970 synthetic peptide MYY 237.5832 MH2+ Inhouse_peptide NA peptide +7971 synthetic peptide YMY 237.5832 MH2+ Inhouse_peptide NA peptide +MJ012981 1-Bromo-1,3,3-trichloro-2-propanone C3H2BrCl3O 237.83546 NA MeJP NA NA +MJ012982 2-Bromo-4-chloro-1,3,5-benzenetriol C6H4BrClO3 237.903234 NA MeJP NA NA +MJ012983 Fluopsin N C4H8N2NiO2S2 237.938066 NA MeJP NA NA +C14192 2,6-Dichloro-4'-biphenylol C12H8Cl2O 237.9952 NA KEGG NA NA +C14193 2,5-Dichloro-4'-biphenylol C12H8Cl2O 237.9952 NA KEGG NA NA +C14370 2-Hydroxy-3,5-dichlorobiphenyl C12H8Cl2O 237.9952 NA KEGG NA NA +C14371 4-Hydroxy-3,5-dichlorobiphenyl C12H8Cl2O 237.9952 NA KEGG NA NA +C14734 2',5'-Dichloro-3-biphenylol C12H8Cl2O 237.9952 NA KEGG NA NA +C14736 2',5'-Dichloro-2-biphenylol C12H8Cl2O 237.9952 NA KEGG NA NA +MJ012984 1,6,8-Trichloro-2,4-ochtodiene C10H13Cl3 238.008283 NA MeJP NA NA +MJ012985 4-Chloro-5-(2-chloroethenyl)-1-chloromethyl-5-methylcyclohexane C10H13Cl3 238.008283 NA MeJP NA NA +MJ012986 Plocamene B C10H13Cl3 238.008283 NA MeJP NA NA +MJ012987 Plocamene D C10H13Cl3 238.008283 NA MeJP NA NA +MJ012988 Plocamene E C10H13Cl3 238.008283 NA MeJP NA NA +C17105 Plocamene D C10H13Cl3 238.0083 NA KEGG NA NA +C17108 Plocamene E C10H13Cl3 238.0083 NA KEGG NA NA +C17110 Plocamene B C10H13Cl3 238.0083 NA KEGG NA NA +MJ012989 6-Bromotryptamine C10H11BrN2 238.010561 NA MeJP NA NA +MJ012990 2,3,5,6,8-Pentahydroxy-1,4-naphthoquinone C10H6O7 238.011352 NA MeJP NA NA +MJ012991 Antibiotic SQ 26180 C6H10N2O6S 238.025956 NA MeJP NA NA +C16842 SQ 26180 C6H10N2O6S 238.026 NA KEGG NA NA +MJ012992 Nitrofurantoin C8H6N4O5 238.033819 NA MeJP NA NA +MJ012993 D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate C6H11N2O6P 238.035472 NA MeJP NA NA +MetaCyc02176 D-erythro-imidazole-glycerol-phosphate [D-erythro-1-(imidazol-4-yl)-glycerol-3-phosphate;D-erythro-imidazole-glycerol-P;erythro-imidazole-glycerol-P;erythro-imidazole-glycerol-phosphate;imidazole glycerol phosphate;IGP;] C6H11N2O6P1 238.035473 NA metacyc NA NA +HMDB12208 D-Erythro-imidazole-glycerol-phosphate C6H11N2O6P 238.035477 NA HMDB2010 NA NA +C04666 D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate C6H11N2O6P 238.0355 NA KEGG NA NA +C04667 N-Acetyl-D-glucosaminyl-poly(ribitol phosphate) C6H11N2O6P 238.0355 NA KEGG NA NA +MJ012994 Desferroferrithiocin C10H10N2O3S 238.041212 NA MeJP NA NA +MJ012995 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthoquinone; 6,7-Dihydro C11H10O6 238.047738 NA MeJP NA NA +MJ012996 2,3-Dihydroxybenzoic acid; Di-Ac C11H10O6 238.047738 NA MeJP NA NA +MJ012997 5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether C11H10O6 238.047738 NA MeJP NA NA +MJ012998 6,7,8-Trihydroxy-3-hydroxymethyl-1H-2-benzopyran-1-one; 7-Me ether C11H10O6 238.047738 NA MeJP NA NA +MJ012999 Convolvulol; 1'-Carboxylic acid, 3?-hydroxy C11H10O6 238.047738 NA MeJP NA NA +MJ013000 Cyclopaldic acid C11H10O6 238.047738 NA MeJP NA NA +MJ013001 Malic acid, O-Benzoyl C11H10O6 238.047738 NA MeJP NA NA +MJ013002 4-Chlorotryptophan C11H11ClN2O2 238.050905 NA MeJP NA NA +MJ013003 5-Chlorotryptophan C11H11ClN2O2 238.050905 NA MeJP NA NA +MJ013004 7-Chlorotryptophan C11H11ClN2O2 238.050905 NA MeJP NA NA +MJ013005 1-(1-Propenylthio)propyl propyl disulfide, 7-Oxide C9H18OS3 238.051977 NA MeJP NA NA +MJ013006 1-(2-Propenylthio)propyl propyl disulfide; 7-Oxide C9H18OS3 238.051977 NA MeJP NA NA +MJ013007 1-Propenyl 1-(propylthio)propyl disulfide, 7-Oxide C9H18OS3 238.051977 NA MeJP NA NA +MJ013008 2-Propenyl 1-(propylthio)propyl disulfide; 7-Oxide C9H18OS3 238.051977 NA MeJP NA NA +MJ013009 ?-Amino-3-nitro-?-oxobenzenebutanoic acid C10H10N2O5 238.058971 NA MeJP NA NA +MJ013010 Sinitrodil C10H10N2O5 238.058971 NA MeJP NA NA +MJ013011 Picartamide C11H14N2S2 238.059839 NA MeJP NA NA +MJ013012 Cystathionine, S-Oxide C7H14N2O5S 238.062342 NA MeJP NA NA +HMDB02399 Cystathionine sulfoxide C7H14N2O5S 238.062347 NA HMDB2010 NA NA +HMDB02399 Cystathionine sulfoxide C7H14N2O5S 238.06235 http://www.hmdb.ca/metabolites/HMDB02399 HMDB NA NA +HMDB02399 Cystathionine sulfoxide C7H14N2O5S 238.06235 HMDB02399 PFEM_hmdb_metabocards_official NA NA +FL3F98NS0001 2'-Hydroxyflavone C15H10O3 238.06299 35244-11-2 knapsack NA NA +FL3F99NS0003 Primuletin C15H10O3 238.06299 491-78-1 knapsack NA NA +MJ013013 1-Hydroxy-2-methylanthraquinone C15H10O3 238.062994 NA MeJP NA NA +MJ013014 1-Hydroxy-3-methylanthraquinone C15H10O3 238.062994 NA MeJP NA NA +MJ013015 1-Hydroxy-7-methylanthraquinone C15H10O3 238.062994 NA MeJP NA NA +MJ013016 1-Hydroxyanthraquinone; Me ether C15H10O3 238.062994 NA MeJP NA NA +MJ013017 2'-Hydroxyflavone C15H10O3 238.062994 NA MeJP NA NA +MJ013018 2-(Hydroxymethyl)anthraquinone C15H10O3 238.062994 NA MeJP NA NA +MJ013019 2-Hydroxy-3-methylanthraquinone C15H10O3 238.062994 NA MeJP NA NA +MJ013020 2-Hydroxyanthraquinone; Me ether C15H10O3 238.062994 NA MeJP NA NA +MJ013021 2-Isopropenylnaphtho[2,3-b]furan-4,9-quinone C15H10O3 238.062994 NA MeJP NA NA +MJ013022 3-Hydroxy-1,4-phenanthraquinone; Me ether C15H10O3 238.062994 NA MeJP NA NA +MJ013023 3-Hydroxyflavone C15H10O3 238.062994 NA MeJP NA NA +MJ013024 4'-Hydroxyflavone C15H10O3 238.062994 NA MeJP NA NA +MJ013025 5-Hydroxyflavone C15H10O3 238.062994 NA MeJP NA NA +MJ013026 7-Hydroxyflavone C15H10O3 238.062994 NA MeJP NA NA +MJ013027 7-Hydroxyisoflavone C15H10O3 238.062994 NA MeJP NA NA +MJ013028 3,4'-Dihydroxyflavylium(1+) C15H11O3(+) 238.062994 NA MeJP NA NA +MJ013029 3,7-Dihydroxyflavylium(1+) C15H11O3(+) 238.062994 NA MeJP NA NA +MJ013030 4',6-Dihydroxyflavylium(1+) C15H11O3(+) 238.062994 NA MeJP NA NA +MJ013031 4',7-Dihydroxyflavylium(1+) C15H11O3(+) 238.062994 NA MeJP NA NA +MJ013032 5,7-Dihydroxyflavylium(1+) C15H11O3(+) 238.062994 NA MeJP NA NA +MetaCyc02177 flavonol [] C15H10O3 238.062994 NA metacyc NA NA +C01495 Flavonol C15H10O3 238.063 NA KEGG NA NA +C01496 Fructose C15H10O3 238.063 NA KEGG NA NA +C01498 Gelatine C15H10O3 238.063 NA KEGG NA NA +C02921 2'-Hydroxyisoflavone C15H10O3 238.063 NA KEGG NA NA +C10354 2-Hydroxymethylanthraquinone C15H10O3 238.063 NA KEGG NA NA +C11264 7-Hydroxyflavone C15H10O3 238.063 NA KEGG NA NA +C14137 6-Hydroxyflavone C15H10O3 238.063 NA KEGG NA NA +C15615 7-Hydroxyisoflavone C15H10O3 238.063 NA KEGG NA NA +MJ013033 3-(Methylthio)-2-propenoic acid, 2-Methoxybenzyl ester C12H14O3S 238.066365 NA MeJP NA NA +MJ013034 Rufinamide C10H8F2N4O 238.066617 NA MeJP NA NA +MJ013035 3-Deoxy-D-manno-octulosonate C8H14O8 238.068867 NA MeJP NA NA +MetaCyc02178 3-deoxy-D-manno-octulosonate [deoxy-manno-octulosonate;2-dehydro-3-deoxy-D-octonate;KDO;ketodeoxyoctonate;] C8H14O8 238.068867 NA metacyc NA NA +MetaCyc02179 3-deoxyoctulosonate [3-deoxyoctulosonic acid;3-deoxy-D-manno-octulosonate;KDO;2-dehydro-3-deoxy-D-octonate;3-deoxy-D-manno-2-octulosonate;] C8H14O8 238.068867 NA metacyc NA NA +C01187 3-Deoxy-D-manno-octulosonate C8H14O8 238.0689 NA KEGG NA NA +C02333 Xanthopterin-B2 C9H10N4O4 238.0702 NA KEGG NA NA +MJ013036 1-Theobromineacetic acid C9H10N4O4 238.070204 NA MeJP NA NA +MJ013037 Acefylline C9H10N4O4 238.070204 NA MeJP NA NA +MJ013038 Nifurimide C9H10N4O4 238.070204 NA MeJP NA NA +MetaCyc02180 xanthopterin-B2 [Xanthopterin;] C9H10N4O4 238.070205 119-44-8 metacyc NA NA +MJ013039 Tetrazolast C10H6N8 238.071542 NA MeJP NA NA +C10596 Halfordinol C14H10N2O2 238.0742 NA KEGG NA NA +MJ013040 1-Phenazinecarboxylic acid; Me ester C14H10N2O2 238.074227 NA MeJP NA NA +MJ013041 1-Vinyl-?-carboline-3-carboxylic acid C14H10N2O2 238.074227 NA MeJP NA NA +MJ013042 4-Quinazolinol; 3H-form, N-(2-Hydroxyphenyl) C14H10N2O2 238.074227 NA MeJP NA NA +MJ013043 Fluorodaturatin; 4,5-Didehydro C14H10N2O2 238.074227 NA MeJP NA NA +MJ013044 Halfordinol C14H10N2O2 238.074227 NA MeJP NA NA +JH167 Trimethoxycinnamic acid (3,4,5-) [M+H]+ C12H14O5 238.0838 Rtobs15.69 PFEM_hmdb_metabocards_urine NA urine +JH167 Trimethoxycinnamic acid (3,4,5-) [M+H]+ C12H14O5 238.0838 15.69 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH167 Trimethoxycinnamic acid (3,4,5-) [M+H]+ C12H14O5 238.0838 Rtobs15.69 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH167 Trimethoxycinnamic acid (3,4,5-) [M+H]+ C12H14O5 238.0838 15.69 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH167 Trimethoxycinnamic acid (3,4,5-) [M+H]+ C12H14O5 238.0838 Rtobs15.69 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH167 Trimethoxycinnamic acid (3,4,5-) [M+H]+ C12H14O5 238.0838 15.69 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH167 Trimethoxycinnamic acid (3,4,5-) [M+H]+ C12H14O5 238.0838 Rtobs15.69 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH167 Trimethoxycinnamic acid (3,4,5-) [M+H]+ C12H14O5 238.0838 Rtobs15.69 HMDB NA NA +JH167 Trimethoxycinnamic acid (3,4,5-) [M+H]+ C12H14O5 238.0838 Rtobs15.69 Inhouse_PFEM NA NA +JH167 Trimethoxycinnamic acid (3,4,5-) [M+H]+ C12H14O5 238.0838 15.69 Inhousejuil11 NA NA +JH167 Trimethoxycinnamic acid (3,4,5-) [M+H]+ C12H14O5 238.0838 Rtobs15.69 PFEM_hmdb_metabocards_blood NA blood +JH167 Trimethoxycinnamic acid (3,4,5-) [M+H]+ C12H14O5 238.0838 Rtobs15.69 PFEM_hmdb_metabocards_official NA NA +2882 Immunostimulating peptide YG 238.084 NA Inhouse_peptide NA peptide +3532 ACE inhibitor GY 238.084 ACE inhibitor Inhouse_peptide NA peptide +3553 ACE inhibitor YG 238.084 ACE inhibitor Inhouse_peptide NA peptide +HMDB02511 3,4,5-Trimethoxycinnamic acid C12H14O5 238.08412 http://www.hmdb.ca/metabolites/HMDB02511 HMDB NA NA +HMDB02511 3,4,5-Trimethoxycinnamic acid C12H14O5 238.08412 HMDB02511 PFEM_hmdb_metabocards_official NA NA +HMDB02511 3,4,5-Trimethoxycinnamic acid C12H14O5 238.084122 NA HMDB2010 NA NA +HMDB11721 Trans-2, 3, 4-Trimethoxycinnamate C12H14O5 238.084122 NA HMDB2010 NA NA +MJ013045 1,2-Ethanediol; 4-Hydroxy-3-methoxycinnamoyl(E-) C12H14O5 238.084123 NA MeJP NA NA +MJ013046 1-(2,4,5-Trihydroxyphenyl)-1,2-propanediol; 1,2-Diketone, 2',4',5'-tri-Me ether C12H14O5 238.084123 NA MeJP NA NA +MJ013047 1-O-Coumaroylglycerol C12H14O5 238.084123 NA MeJP NA NA +MJ013048 2,3-Dihydro-2,5,7-trihydroxy-2,6-dimethyl-4H-1-benzopyran-4-one; 7-Me ether C12H14O5 238.084123 NA MeJP NA NA +MJ013049 2,3-Dihydro-2,5,7-trihydroxy-2,8-dimethyl-4H-1-benzopyran-4-one; 7-Me ether C12H14O5 238.084123 NA MeJP NA NA +MJ013050 2,5,7-Trihydroxy-2-isopropyl-4-chromanone C12H14O5 238.084123 NA MeJP NA NA +MJ013051 2-(2,3-Dimethoxy-4,5-methylenedioxyphenyl)-2-propen-1-ol C12H14O5 238.084123 NA MeJP NA NA +MJ013052 2-Acetyl-3,5-dihydroxyphenylacetic acid; Di-Me ether C12H14O5 238.084123 NA MeJP NA NA +MJ013053 2-Acetyl-3,5-dihydroxyphenylacetic acid; Et ester C12H14O5 238.084123 NA MeJP NA NA +MJ013054 2-Formyl-3-(hydroxymethyl)-6-methoxy-5-methylbenzoic acid; Lactol-form, Me ether C12H14O5 238.084123 NA MeJP NA NA +MJ013055 2-O-Coumaroylglycerol C12H14O5 238.084123 NA MeJP NA NA +MJ013056 3,4-Dihydro-3,6,8-trihydroxy-3,5,7-trimethyl-1H-2-benzopyran-1-one C12H14O5 238.084123 NA MeJP NA NA +MJ013057 3,4-Dihydro-4,6,8-trihydroxy-7-hydroxymethyl-1(2H)-naphthalenone, 6-Me ether C12H14O5 238.084123 NA MeJP NA NA +MJ013058 3,4-Dihydro-6,7,8-trihydroxy-3-methyl-1H-2-benzopyran-1-one, 6,7-Di-Me ether C12H14O5 238.084123 NA MeJP NA NA +MJ013059 3-(2,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether C12H14O5 238.084123 NA MeJP NA NA +MJ013060 3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether C12H14O5 238.084123 NA MeJP NA NA +MJ013061 5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone; 7-Me ether, 1'-methoxy C12H14O5 238.084123 NA MeJP NA NA +MJ013062 Cinametic acid C12H14O5 238.084123 NA MeJP NA NA +MJ013063 Multiforisin A; Me ether C12H14O5 238.084123 NA MeJP NA NA +MJ013064 Radicinol C12H14O5 238.084123 NA MeJP NA NA +MJ013065 Sporovexin A C12H14O5 238.084123 NA MeJP NA NA +MJ013066 Velaresol C12H14O5 238.084123 NA MeJP NA NA +3770 ACE inhibitor AHSY 238.095 MH2+ Inhouse_peptide NA peptide +MJ013067 1-(3-Methyl-2-oxo-5-pyrrolinyl)-4-methyl-5-oxo-2-pyrrolidinecarboxylic acid C11H14N2O4 238.095356 NA MeJP NA NA +MJ013068 2-Amino-4-nitrophenol; Propyl ether, N-Ac C11H14N2O4 238.095356 NA MeJP NA NA +MJ013069 2-Phenyl-1,3-propanediol; Dicarbamate C11H14N2O4 238.095356 NA MeJP NA NA +MJ013070 Glutamine, N5-(4-Hydroxyphenyl) C11H14N2O4 238.095356 NA MeJP NA NA +C07501 Felbamate C11H14N2O4 238.0954 NA KEGG NA NA +PJ000077 GY C11H14N2O4 238.0954 NA PeJP NA NA +CJneg0441 Sebacic acid [M+Cl]- C10H18O4Cl 238.097725 C18rt(min)=7.65 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0442 Heptylmalonic acid [(M+Cl)]- C10H18ClO4 238.097725 C18rt(min)=6.05 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0441 Sebacic acid [M+Cl]- C10H18O4Cl 238.097725 C18rt(min)=7.65 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0442 Heptylmalonic acid [(M+Cl)]- C10H18ClO4 238.097725 C18rt(min)=6.05 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +FL1C99NS0001 4'-Methoxychalcone C16H14O2 238.09937 22966-19-4 knapsack NA NA +MJ013071 1-(4-Hydroxyphenyl)-3-phenyl-2-propen-1-one; Me ether C16H14O2 238.099379 NA MeJP NA NA +MJ013072 1-Hydroxy-2,5,8-trimethyl-9H-fluoren-9-one C16H14O2 238.099379 NA MeJP NA NA +MJ013073 2,6-Dihydroxy-1,7-dimethylphenanthrene C16H14O2 238.099379 NA MeJP NA NA +MJ013074 2-(2-Fluorenyl)propanoic acid C16H14O2 238.099379 NA MeJP NA NA +MJ013075 3-Phenyl-2-propenoic acid, Benzyl ester C16H14O2 238.099379 NA MeJP NA NA +MJ013076 4-Hydroxy-2,4-diphenyl-2-butenal C16H14O2 238.099379 NA MeJP NA NA +MJ013077 6-Hydroxy-4-(2-phenylethyl)benzofuran C16H14O2 238.099379 NA MeJP NA NA +MJ013078 Thiotetromycin C13H18O2S 238.10275 NA MeJP NA NA +MJ013079 D-glycero-L-manno-Heptose; ?-Pyranose-form, Et glycoside C9H18O7 238.105252 NA MeJP NA NA +MJ013080 Protheobromine C10H14N4O3 238.10659 NA MeJP NA NA +MJ013081 Proxyphylline C10H14N4O3 238.10659 NA MeJP NA NA +MJ013082 Pyridazomycin C10H14N4O3 238.10659 NA MeJP NA NA +MJ013083 5,5-Diphenyl-4-imidazolidinone C15H14N2O 238.110613 NA MeJP NA NA +MJ013084 Semoxind C15H14N2O 238.110613 NA MeJP NA NA +MJ013085 1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene C13H18O4 238.120509 NA MeJP NA NA +MJ013086 1-(3-Ethyl-2,4,6-trihydroxyphenyl)-1-butanone; 6-Me ether C13H18O4 238.120509 NA MeJP NA NA +MJ013087 2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione C13H18O4 238.120509 NA MeJP NA NA +MJ013088 2,4-Dihydroxy-6-propylbenzoic acid; 4-Me ether, Et ester C13H18O4 238.120509 NA MeJP NA NA +MJ013089 2-Methyl-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-propanone; 4'-Me ether C13H18O4 238.120509 NA MeJP NA NA +MJ013090 2-Methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-butanone; 4'-Me ether C13H18O4 238.120509 NA MeJP NA NA +MJ013091 2-Methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-propanone; 2',4'-Di-Me ether C13H18O4 238.120509 NA MeJP NA NA +MJ013092 2-Methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-propanone; 4',6'-Di-Me ether C13H18O4 238.120509 NA MeJP NA NA +MJ013093 2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; Tri-Me ether C13H18O4 238.120509 NA MeJP NA NA +MJ013094 3,5-Dihydroxy-4,4-dimethyl-2-(1-oxopentyl)-2,5-cyclohexadien-1-one C13H18O4 238.120509 NA MeJP NA NA +MJ013095 3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 1,3',4',5'-Tetra-Me ether C13H18O4 238.120509 NA MeJP NA NA +MJ013096 4-(3,4-Dimethoxyphenyl)-3-butene-1,2-diol, 2-Me ether C13H18O4 238.120509 NA MeJP NA NA +MJ013097 4-Hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)acetophenone; 3',4'-Dihydro, 3'-hydroxy C13H18O4 238.120509 NA MeJP NA NA +MJ013098 5-(1-Propenyl)-1,2,3,4-benzenetetrol, Tetra-Me ether C13H18O4 238.120509 NA MeJP NA NA +MJ013099 Agglomerone C13H18O4 238.120509 NA MeJP NA NA +MJ013100 Ascosalipyrone C13H18O4 238.120509 NA MeJP NA NA +MJ013101 Fraginol C13H18O4 238.120509 NA MeJP NA NA +MJ013102 Sporothriolide C13H18O4 238.120509 NA MeJP NA NA +MJ013103 Rolodine C14H14N4 238.121846 NA MeJP NA NA +MJ013104 Flutimide C12H18N2O3 238.131742 NA MeJP NA NA +MJ013105 Nealbarbital C12H18N2O3 238.131742 NA MeJP NA NA +MJ013106 Quinalbarbitone C12H18N2O3 238.131742 NA MeJP NA NA +MJ013107 1,7,9,15-Heptadecatetraene-11,13-diyn-6-one C17H18O 238.135765 NA MeJP NA NA +MJ013108 1,7,9-Heptadecatriene-11,13,15-triyn-6-ol C17H18O 238.135765 NA MeJP NA NA +MJ013109 1-(4-Ethylphenyl)-3-phenyl-1-propanone C17H18O 238.135765 NA MeJP NA NA +MJ013110 2,8,10,16-Heptadecatetraene-4,6-diynal C17H18O 238.135765 NA MeJP NA NA +MJ013111 3-(4-Ethylphenyl)-1-phenyl-1-propanone C17H18O 238.135765 NA MeJP NA NA +MJ013112 3-Methyl-10-phenyl-3,5,7,9-decatetraen-2-one C17H18O 238.135765 NA MeJP NA NA +MJ013113 5,7,9,15-Heptadecatetraene-11,13-diyn-4-one C17H18O 238.135765 NA MeJP NA NA +MJ013114 5,7,9-Heptadecatriene-11,13,15-triyn-4-ol C17H18O 238.135765 NA MeJP NA NA +MJ013115 7,9-Heptadecadiene-11,13,15-triynal C17H18O 238.135765 NA MeJP NA NA +MJ013116 Gibberone C17H18O 238.135765 NA MeJP NA NA +C11079 Pirimicarb C11H18N4O2 238.143 NA KEGG NA NA +MJ013117 1,2,3,4-Tetrahydro-2-methyl-4-phenyl-8-isoquinolinamine C16H18N2 238.146998 NA MeJP NA NA +MJ013118 1-(3-Methylbutyl)-?-carboline C16H18N2 238.146998 NA MeJP NA NA +MJ013119 10-Amino-10,11-dihydro-5H-dibenz[b,f]azepine, 5,10-Di-N-Me C16H18N2 238.146998 NA MeJP NA NA +MJ013120 Agroclavine C16H18N2 238.146998 NA MeJP NA NA +MJ013121 Cycloclavine C16H18N2 238.146998 NA MeJP NA NA +MJ013122 Lysergol; Deoxy C16H18N2 238.146998 NA MeJP NA NA +C09023 Agroclavine C16H18N2 238.147 NA KEGG NA NA +MJ013123 13-Hydroxy-2,4,8-tetradecatrienoic acid C14H22O3 238.156894 NA MeJP NA NA +MJ013124 3,4-Dimethyl-5-pentyl-2-furanpropanoic acid C14H22O3 238.156894 NA MeJP NA NA +MJ013125 3-(4-Hydroxyphenyl)-1-propanol; 4'-O-(4-Hydroxy-3-methylbutyl) C14H22O3 238.156894 NA MeJP NA NA +MJ013126 4,9-Dihydroxy-13-nor-7-eudesmen-11-one C14H22O3 238.156894 NA MeJP NA NA +MJ013127 5,8-Dihydroxy-14-nor-7-marasmanone C14H22O3 238.156894 NA MeJP NA NA +MJ013128 6-Hydroxy-2-nor-2,3-seco-1,3-allohimachalanedione, 6-Ketone C14H22O3 238.156894 NA MeJP NA NA +MJ013129 Appenolide A; 8'-Alcohol C14H22O3 238.156894 NA MeJP NA NA +MJ013130 Appenolide A; 8'-Deoxo, 7'-hydroxy C14H22O3 238.156894 NA MeJP NA NA +MJ013131 Mikaniahumulene II C14H22O3 238.156894 NA MeJP NA NA +MJ013132 Rishitin M1 C14H22O3 238.156894 NA MeJP NA NA +MJ013133 Serricorole; 2'-Ketone C14H22O3 238.156894 NA MeJP NA NA +MJ013134 Sulcatine C C14H22O3 238.156894 NA MeJP NA NA +MJ013135 Nitropolyzonamine C13H22N2O2 238.168127 NA MeJP NA NA +MJ013136 1,2,3,4-Tetrahydro-1,1,7,8-tetramethylphenanthrene C18H22 238.17215 NA MeJP NA NA +MJ013137 1(10),4(15)-Germacradiene-5,6-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013138 1(10),4-Germacradien-6-ol, 4?,5?-Epoxide C15H26O2 238.19328 NA MeJP NA NA +MJ013139 1(10),4-Germacradiene-2,6-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013140 1(10),4-Germacradiene-6,8-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013141 1(10),4-Germacradiene-6,9-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013142 1(10),5-Germacradien-4-ol, 11-Hydroxy C15H26O2 238.19328 NA MeJP NA NA +MJ013143 1(10),5-Germacradiene-3,4-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013144 1(10)-Eremophilene-11,12-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013145 1(10)-Eremophilene-2,4-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013146 1(10)-Eremophilene-8,11-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013147 1,10-Bisaboladiene-3,4-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013148 1,10-Bisaboladiene-3,6-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013149 1,2,12,13-Tetrahydro-3-hydroxy-2-oxobergamotene C15H26O2 238.19328 NA MeJP NA NA +MJ013150 1,3-Elemadiene-8,11-diol; 8?-form C15H26O2 238.19328 NA MeJP NA NA +MJ013151 1,5,10-Farnesatriene-3,7-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013152 1,6,10-Farnesatriene-3,12-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013153 1,6,10-Farnesatriene-3,5-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013154 1,6,10-Farnesatriene-3,9-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013155 1,6,9-Farnesatriene-3,11-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013156 1,9,11-Farnesatriene-3,7-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013157 10(14)-Guaiene-4,11-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013158 10(14)-Guaiene-4,6-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013159 10,11-Epoxy-2-guaianal C15H26O2 238.19328 NA MeJP NA NA +MJ013160 10,12-Aromadendranediol C15H26O2 238.19328 NA MeJP NA NA +MJ013161 10,14-Aromadendranediol C15H26O2 238.19328 NA MeJP NA NA +MJ013162 10-Hydroxy-4-oplopanone C15H26O2 238.19328 NA MeJP NA NA +MJ013163 10-Hydroxy-6-guaianone C15H26O2 238.19328 NA MeJP NA NA +MJ013164 11(13)-Eudesmene-4,12-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013165 11,12-Epoxy-11-drimanol C15H26O2 238.19328 NA MeJP NA NA +MJ013166 11-Campherenene-4,10-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013167 11-Eudesmene-1,5-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013168 11-Eudesmene-2,4-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013169 11-Eudesmene-3,4-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013170 11-Eudesmene-4,7-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013171 11-Guaiene-4,10-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013172 11-Hydroxy-1(10)-germacren-3-one; 1(10)E-form C15H26O2 238.19328 NA MeJP NA NA +MJ013173 11-Oppositene-1,4-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013174 12-Hydroxy-11(13)-eudesmen-2-one; 11?,13-Dihydro C15H26O2 238.19328 NA MeJP NA NA +MJ013175 14-Thapsanol C15H26O2 238.19328 NA MeJP NA NA +MJ013176 15-Hydroxydihydro-?-agarofuran C15H26O2 238.19328 NA MeJP NA NA +MJ013177 2,10-Bisaboladiene-1,12-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013178 2,10-Bisaboladiene-1,4-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013179 2,10-Bisaboladiene-1,6-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013180 2,10-Bisaboladiene-6,12-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013181 2,10-Bisaboladiene-7,12-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013182 2,10-Bisaboladiene-7,15-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013183 2,11-Bisaboladiene-1,10-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013184 2,11-Bisaboladiene-7,10-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013185 2,6,10-Farnesatriene-1,9-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013186 2,6-Epoxy-3-himachalanol C15H26O2 238.19328 NA MeJP NA NA +MJ013187 2,7(14)-Bisaboladiene-10,11-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013188 2,9-Bisaboladiene-7,11-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013189 2-Allohimachalene-4,6-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013190 2-Bisabolene-1,12-diol; 1-Ketone C15H26O2 238.19328 NA MeJP NA NA +MJ013191 2-Himachalen-7-ol; 7?-form, 2?,3?-Epoxide C15H26O2 238.19328 NA MeJP NA NA +MJ013192 2-Himachalene-4,7-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013193 2-Himachalene-7,12-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013194 2-Hydroxy-11-spirovetiven-14-al; 14-Alcohol C15H26O2 238.19328 NA MeJP NA NA +MJ013195 3(15)-Caryophyllene-6,7-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013196 3,10-Africananediol C15H26O2 238.19328 NA MeJP NA NA +MJ013197 3,12-Cedranediol C15H26O2 238.19328 NA MeJP NA NA +MJ013198 3,15-Africananediol C15H26O2 238.19328 NA MeJP NA NA +MJ013199 3,15-Cedranediol; 3?-form C15H26O2 238.19328 NA MeJP NA NA +MJ013200 3,6-Caryolanediol C15H26O2 238.19328 NA MeJP NA NA +MJ013201 3,7-Dimethyl-2,6-octadien-1-ol, O-(3-Methylbutanoyl) C15H26O2 238.19328 NA MeJP NA NA +MJ013202 3,7-Epoxy-1,10-farnesadien-6-ol; 6?-form C15H26O2 238.19328 NA MeJP NA NA +MJ013203 3-Cadinen-10-ol; 10?-form, 3?,4?-Epoxide C15H26O2 238.19328 NA MeJP NA NA +MJ013204 3-Eudesmene-1,11-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013205 3-Eudesmene-1,6-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013206 3-Eudesmene-11,12-diol; 11?-form C15H26O2 238.19328 NA MeJP NA NA +MJ013207 3-Eudesmene-11,15-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013208 3-Eudesmene-6,11-diol; 6?-form C15H26O2 238.19328 NA MeJP NA NA +MJ013209 3-Eudesmene-6,7-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013210 3-Himachalene-2,7-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013211 3-Hydroxy-5-allohimachalone C15H26O2 238.19328 NA MeJP NA NA +MJ013212 3-Methyl-5-(1,3,3-trimethyl-7-oxabicyclo[2.2.1]hept-2-yl)-1-penten-3-ol C15H26O2 238.19328 NA MeJP NA NA +MJ013213 4(13)-Precapnellene-3,6-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013214 4(15),7(11)-Oppositadien-1-ol, 7,11-Dihydro, 11-hydroxy C15H26O2 238.19328 NA MeJP NA NA +MJ013215 4(15)-Cadinene-6,10-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013216 4(15)-Eudesmene-1,11-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013217 4(15)-Eudesmene-1,6-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013218 4(15)-Eudesmene-11,12-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013219 4(15)-Eudesmene-2,11-diol; 2?-form C15H26O2 238.19328 NA MeJP NA NA +MJ013220 4(15)-Eudesmene-3,11-diol; 3?-form C15H26O2 238.19328 NA MeJP NA NA +MJ013221 4(15)-Eudesmene-5,11-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013222 4(15)-Eudesmene-6,11-diol; 6?-form C15H26O2 238.19328 NA MeJP NA NA +MJ013223 4(15)-Eudesmene-6,7-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013224 4(15)-Eudesmene-8,11-diol; 8?-form C15H26O2 238.19328 NA MeJP NA NA +MJ013225 4(15)-Guaiene-6,10-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013226 4,10(14)-Germacradiene-1,6-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013227 4,10-Aromadendranediol C15H26O2 238.19328 NA MeJP NA NA +MJ013228 4,10-Epoxy-5-muurolanol C15H26O2 238.19328 NA MeJP NA NA +MJ013229 4,10-Epoxy-6-guaianol C15H26O2 238.19328 NA MeJP NA NA +MJ013230 4,11,11-Trimethyltricyclo[6.3.1.02,5]dodecane-6,8-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013231 4,11-Cubebanediol C15H26O2 238.19328 NA MeJP NA NA +MJ013232 4,11-Epoxy-5-amorphanol C15H26O2 238.19328 NA MeJP NA NA +MJ013233 4,7-Epoxy-5-muurolanol C15H26O2 238.19328 NA MeJP NA NA +MJ013234 4,7-Tridecadien-1-ol, Ac C15H26O2 238.19328 NA MeJP NA NA +MJ013235 4-Amorphene-3,7-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013236 4-Cadinene-10,14-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013237 4-Cadinene-2,10-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013238 4-Cadinene-3,10-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013239 4-Eudesmene-1,11-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013240 4-Eudesmene-3,11-diol; 3?-form C15H26O2 238.19328 NA MeJP NA NA +MJ013241 4-Hydroxy-7-oppositanone C15H26O2 238.19328 NA MeJP NA NA +MJ013242 4-Muurolene-3,10-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013243 4-Muurolene-7,15-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013244 5(14),9-Cyclofarnesadiene-2,11-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013245 5(1?10)-Abeo-1,12-patchoulanediol C15H26O2 238.19328 NA MeJP NA NA +MJ013246 5(1?10)-Abeo-1,8-patchoulanediol C15H26O2 238.19328 NA MeJP NA NA +MJ013247 5,10(14)-Germacradiene-1,4-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013248 5,11-Epoxy-15-guaianol C15H26O2 238.19328 NA MeJP NA NA +MJ013249 5,11-Epoxyguaiane, 3?-Hydroxy C15H26O2 238.19328 NA MeJP NA NA +MJ013250 5,11-Epoxyguaiane, 9?-Hydroxy C15H26O2 238.19328 NA MeJP NA NA +MJ013251 5,8-Epoxy-9-daucanol C15H26O2 238.19328 NA MeJP NA NA +MJ013252 5,8-Tetradecadienoic acid, Me ester C15H26O2 238.19328 NA MeJP NA NA +MJ013253 5-Eudesmene-1,4-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013254 6,10-Epoxy-7-isodaucanol C15H26O2 238.19328 NA MeJP NA NA +MJ013255 6,7-Epoxy-2-humulen-1-ol C15H26O2 238.19328 NA MeJP NA NA +MJ013256 6,7-Epoxy-3-caryophyllanol C15H26O2 238.19328 NA MeJP NA NA +MJ013257 6,8-Cyclo-1,4-eudesmanediol C15H26O2 238.19328 NA MeJP NA NA +MJ013258 6-Guaiene-4,10-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013259 6-Hydroxy-6,7-seco-3(15)-caryophyllen-7-one C15H26O2 238.19328 NA MeJP NA NA +MJ013260 7(11)-Oppositene-1,4-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013261 7(14)-Isodaucene-6,10-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013262 7,10-Epoxy-2-guaianol C15H26O2 238.19328 NA MeJP NA NA +MJ013263 7-Drimene-11,12-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013264 7-Drimene-3,11-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013265 7-Eudesmene-1,4-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013266 7-Eudesmene-11,12-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013267 7-Guaiene-4,10-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013268 7-Hydroxy-6,11-cyclofarnes-3(15)-en-2-one C15H26O2 238.19328 NA MeJP NA NA +MJ013269 7-Methyl-3-propyl-2,6-nonadien-1-ol, Ac C15H26O2 238.19328 NA MeJP NA NA +MJ013270 8-Daucene-3,4-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013271 8-Daucene-4,6-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013272 9,10-Trichoene-12,13-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013273 9-Campherenene-4,11-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013274 9-Eremophilene-11,12-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013275 9-Guaiene-4,6-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013276 9-Oxo-15-bisabolanol; 15-Aldehyde C15H26O2 238.19328 NA MeJP NA NA +MJ013277 ?-Bisabolol oxide A C15H26O2 238.19328 NA MeJP NA NA +MJ013278 ?-Bisabolol oxide B C15H26O2 238.19328 NA MeJP NA NA +MJ013279 ?-Santal-10-ene-3,8-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013280 Arenaran A; 9?,10?-Epoxide C15H26O2 238.19328 NA MeJP NA NA +MJ013281 Botrydiol C15H26O2 238.19328 NA MeJP NA NA +MJ013282 Campherene-2,13-diol C15H26O2 238.19328 NA MeJP NA NA +MJ013283 Chiloscypholone; 11,12-Dihydro C15H26O2 238.19328 NA MeJP NA NA +MJ013284 Chokol B C15H26O2 238.19328 NA MeJP NA NA +MJ013285 Chokol C C15H26O2 238.19328 NA MeJP NA NA +MJ013286 Chokol H C15H26O2 238.19328 NA MeJP NA NA +MJ013287 Chokol K; 8-Hydroxy C15H26O2 238.19328 NA MeJP NA NA +MJ013288 Clovanediol C15H26O2 238.19328 NA MeJP NA NA +MJ013289 Cryptofauronol C15H26O2 238.19328 NA MeJP NA NA +MJ013290 Culmorin C15H26O2 238.19328 NA MeJP NA NA +MJ013291 Dysifragin C15H26O2 238.19328 NA MeJP NA NA +MJ013292 Hanamyol C15H26O2 238.19328 NA MeJP NA NA +MJ013293 Isoculmorin C15H26O2 238.19328 NA MeJP NA NA +MJ013294 Junipediol C15H26O2 238.19328 NA MeJP NA NA +MJ013295 Kanokonol C15H26O2 238.19328 NA MeJP NA NA +MJ013296 Paludolone C15H26O2 238.19328 NA MeJP NA NA +MJ013297 Seiricardine A C15H26O2 238.19328 NA MeJP NA NA +MJ013298 Seiricardine B C15H26O2 238.19328 NA MeJP NA NA +MJ013299 Senecrassidiol C15H26O2 238.19328 NA MeJP NA NA +MJ013300 Tremulenediol A C15H26O2 238.19328 NA MeJP NA NA +MJ013301 Tremulenediol B C15H26O2 238.19328 NA MeJP NA NA +MJ013302 Tremulenediol C C15H26O2 238.19328 NA MeJP NA NA +MJ013303 Tricyclohumuladiol C15H26O2 238.19328 NA MeJP NA NA +MJ013304 Trifarienol A C15H26O2 238.19328 NA MeJP NA NA +MJ013305 Valerianoid B C15H26O2 238.19328 NA MeJP NA NA +MJ013306 Widdrol; 5?,6?-Epoxide C15H26O2 238.19328 NA MeJP NA NA +MJ013307 p-Menth-1-en-7-oic acid, 1,1-Dimethylpropyl ester C15H26O2 238.19328 NA MeJP NA NA +MJ013308 ?-Agarofuran; 3,4-Dihydro, 4?-hydroxy C15H26O2 238.19328 NA MeJP NA NA +MJ013309 ?-Bisabolol oxide A C15H26O2 238.19328 NA MeJP NA NA +MJ013310 ?-Bisabolol oxide B C15H26O2 238.19328 NA MeJP NA NA +MJ013311 ?-Bisabolol oxide C C15H26O2 238.19328 NA MeJP NA NA +MJ013312 ?-Santalane-10,11-diol C15H26O2 238.19328 NA MeJP NA NA +C09632 Centarol C15H26O2 238.1933 NA KEGG NA NA +C09652 Daucol C15H26O2 238.1933 NA KEGG NA NA +C09653 Debneyol C15H26O2 238.1933 NA KEGG NA NA +C09722 Seiricardine A C15H26O2 238.1933 NA KEGG NA NA +C16773 Bisabolol oxide A C15H26O2 238.1933 NA KEGG NA NA +C16774 Bisabolol oxide B C15H26O2 238.1933 NA KEGG NA NA +C16920 Bornyl isovalerate C15H26O2 238.1933 NA KEGG NA NA +C17427 Kanokonol C15H26O2 238.1933 NA KEGG NA NA +MJ013313 10,12-Hexadecadien-1-ol C16H30O 238.229665 NA MeJP NA NA +MJ013314 10-Hexadecenal C16H30O 238.229665 NA MeJP NA NA +MJ013315 11-Hexadecenal C16H30O 238.229665 NA MeJP NA NA +MJ013316 12-Hexadecenal C16H30O 238.229665 NA MeJP NA NA +MJ013317 15-Hexadecenal C16H30O 238.229665 NA MeJP NA NA +MJ013318 3,5,7,9-Tetramethyl-3-dodecen-2-one C16H30O 238.229665 NA MeJP NA NA +MJ013319 3-Methylcyclopentadecanone C16H30O 238.229665 NA MeJP NA NA +MJ013320 7,11-Hexadecadien-1-ol C16H30O 238.229665 NA MeJP NA NA +MJ013321 7-Hexadecenal C16H30O 238.229665 NA MeJP NA NA +MJ013322 9-Hexadecenal C16H30O 238.229665 NA MeJP NA NA +MJ013323 Hexadecenal C16H30O 238.229665 NA MeJP NA NA +MetaCyc02181 2-trans-Hexadecenal [] C16H30O1 238.229666 NA metacyc NA NA +C06123 Hexadecenal C16H30O 238.2297 NA KEGG NA NA +C16873 Bombykol C16H30O 238.2297 NA KEGG NA NA +MJ013324 1-Heptadecene C17H34 238.266051 NA MeJP NA NA +MJ013325 8-Heptadecene C17H34 238.266051 NA MeJP NA NA +7880 peptide from actin, pork muscles DSGVT 238.59745 MH2+ Inhouse_peptide NA peptide +29 Myofibrillar DSGVT 238.598 MH2+ Inhouse_peptide NA peptide +MJ013326 N,N-Dichloro-4-methylbenzenesulfonamide C7H7Cl2NO2S 238.957454 NA MeJP NA NA +MJ013327 Meseclazone C11H10ClNO3 239.03492 NA MeJP NA NA +MJ013328 Flosequinan C11H10FNO2S 239.041627 NA MeJP NA NA +MJ013329 Furmethoxadone C9H9N3O5 239.05422 NA MeJP NA NA +C08477 Dianthalexin C14H9NO3 239.0582 NA KEGG NA NA +C10583 Crinasiadine C14H9NO3 239.0582 NA KEGG NA NA +MJ013330 8,9-Methylenedioxyphenanthridine; 3-Hydroxy C14H9NO3 239.058243 NA MeJP NA NA +MJ013331 Crinasiadine C14H9NO3 239.058243 NA MeJP NA NA +MJ013332 Marcanine A C14H9NO3 239.058243 NA MeJP NA NA +MJ013333 5-(Isothiocyanatomethyl)-1,2,3-trimethoxybenzene C11H13NO3S 239.061613 NA MeJP NA NA +MJ013334 Xanthiazone C11H13NO3S 239.061613 NA MeJP NA NA +C11095 Clomazone C12H14ClNO2 239.0713 NA KEGG NA NA +C16627 Albendazole-2-aminosulfone C10H13N3O2S 239.0728 NA KEGG NA NA +MJ013335 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, N-Ac C11H13NO5 239.079372 NA MeJP NA NA +MJ013336 Dioxolide A; O-Ac C11H13NO5 239.079372 NA MeJP NA NA +MJ013337 Monocillinol A C11H13NO5 239.079372 NA MeJP NA NA +MJ013338 Stresgenin B C11H13NO5 239.079372 NA MeJP NA NA +CJneg0443 4-Methylhippuric acid / 3-Methylhippuric acid [(M-H)+(HCOOH)]- C11H12NO5 239.079925 C18rt(min)=6.62 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0444 2-methylhippuric acid (ortho-methylhippuric acid) [(M-H)+(HCOOH)]- C11H12NO5 239.079925 C18rt(min)=6.13 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0443 4-Methylhippuric acid / 3-Methylhippuric acid [(M-H)+(HCOOH)]- C11H12NO5 239.079925 C18rt(min)=6.62 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0444 2-methylhippuric acid (ortho-methylhippuric acid) [(M-H)+(HCOOH)]- C11H12NO5 239.079925 C18rt(min)=6.13 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +JH149 Alanyl glutamine [M+Na]+ NA 239.0899 1.12 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH149 Alanyl glutamine [M+Na]+ NA 239.0899 1.12 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH149 Alanyl glutamine [M+Na]+ NA 239.0899 1.12 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH149 Alanyl glutamine [M+Na]+ NA 239.0899 1.12 Inhousejuil11 NA NA +MJ013339 Cyclopentenylcytosine C10H13N3O4 239.090605 NA MeJP NA NA +C03954 N-Hydroxy-2-acetamidofluorene C15H13NO2 239.0946 NA KEGG NA NA +C14481 1-Hydroxy-2-acetamidofluorene C15H13NO2 239.0946 NA KEGG NA NA +C14633 7-Hydroxy-2-acetamidofluorene C15H13NO2 239.0946 NA KEGG NA NA +C14656 3-Hydroxy-2-acetamidofluorene C15H13NO2 239.0946 NA KEGG NA NA +C14678 5-Hydroxy-2-acetamidofluorene C15H13NO2 239.0946 NA KEGG NA NA +MJ013340 1-Hydroxyacridone; Me ether, N-Me C15H13NO2 239.094628 NA MeJP NA NA +MJ013341 Antibiotic TMC 120A; 2,11-Didehydro C15H13NO2 239.094628 NA MeJP NA NA +MetaCyc02182 N-hydroxy-2-acetamidofluorene [] C15H13N1O2 239.094629 NA metacyc NA NA +7911 synthetic peptide WHH 239.0975 MH2+ Inhouse_peptide NA peptide +7913 synthetic peptide HWH 239.0975 MH2+ Inhouse_peptide NA peptide +7916 synthetic peptide HHW 239.0975 MH2+ Inhouse_peptide NA peptide +C00268 Dihydrobiopterin C9H13N5O3 239.1018 NA KEGG NA NA +C00269 CDP-diacylglycerol C14H19N3O15P2R2 239.1018 NA KEGG NA NA +C02953 7,8-Dihydrobiopterin C9H13N5O3 239.1018 NA KEGG NA NA +C04244 6-Lactoyl-5,6,7,8-tetrahydropterin C9H13N5O3 239.1018 NA KEGG NA NA +HMDB00038 Dihydrobiopterin C9H13N5O3 239.101837 NA HMDB2010 NA NA +HMDB02065 6-Lactoyltetrahydropterin C9H13N5O3 239.101837 NA HMDB2010 NA NA +HMDB02215 4a-Carbinolamine tetrahydrobiopterin C9H13N5O3 239.101837 NA HMDB2010 NA NA +MJ013342 6-Lactoyl-5,6,7,8-tetrahydropterin C9H13N5O3 239.101839 NA MeJP NA NA +MJ013343 Dihydrobiopterin C9H13N5O3 239.101839 NA MeJP NA NA +MJ013344 Buciclovir C9H13N5O3 239.101839 NA MeJP NA NA +MetaCyc02183 6-lactoyl-5,6,7,8-tetrahydropterin [] C9H13N5O3 239.101839 NA metacyc NA NA +MetaCyc02184 dihydrobiopterin [q-BH2;L-erythro-dihydrobiopterin;L-erythro-q-dihydrobiopterin;biopterin;P-quinonoid-dihydrobiopterin;7,8-di-H-biopterin;7,8-dihydrobiopterin;(6R)-6-(L-erythro-1,2-dihydroxypropyl)-7,8-dihydro-6H-pterin;] C9H13N5O3 239.101839 6779-87-9 metacyc NA NA +HMDB00038 Dihydrobiopterin C9H13N5O3 239.10184 http://www.hmdb.ca/metabolites/HMDB00038 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02215 4a-Carbinolamine tetrahydrobiopterin C9H13N5O3 239.10184 http://www.hmdb.ca/metabolites/HMDB02215 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00038 Dihydrobiopterin C9H13N5O3 239.10184 http://www.hmdb.ca/metabolites/HMDB00038 HMDB NA NA +HMDB02065 6-Lactoyltetrahydropterin C9H13N5O3 239.10184 http://www.hmdb.ca/metabolites/HMDB02065 HMDB NA NA +HMDB02215 4a-Carbinolamine tetrahydrobiopterin C9H13N5O3 239.10184 http://www.hmdb.ca/metabolites/HMDB02215 HMDB NA NA +HMDB00038 Dihydrobiopterin C9H13N5O3 239.10184 http://www.hmdb.ca/metabolites/HMDB00038 PFEM_hmdb_metabocards_blood NA blood +HMDB02215 4a-Carbinolamine tetrahydrobiopterin C9H13N5O3 239.10184 http://www.hmdb.ca/metabolites/HMDB02215 PFEM_hmdb_metabocards_blood NA blood +HMDB00038 Dihydrobiopterin C9H13N5O3 239.10184 HMDB00038 PFEM_hmdb_metabocards_official NA NA +HMDB02065 6-Lactoyltetrahydropterin C9H13N5O3 239.10184 HMDB02065 PFEM_hmdb_metabocards_official NA NA +HMDB02215 4a-Carbinolamine tetrahydrobiopterin C9H13N5O3 239.10184 HMDB02215 PFEM_hmdb_metabocards_official NA NA +MJ013345 Anantine, N-De-Me C14H13N3O 239.105862 NA MeJP NA NA +MJ013346 Amfebutamone C13H18ClNO 239.107691 NA MeJP NA NA +MJ013347 Lometraline C13H18ClNO 239.107691 NA MeJP NA NA +MetaCyc02185 bupropion [(-)-2-(tert-butylamino)-3'-chloropropiophenone;1-propanone, 1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-,(+-)-;(+-)-1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-1-propanone;amfebutamonum;α-(tert-butylamino)-m-chloropropiophenone;] C13H18N1O1CL1 239.107692 NA metacyc NA NA +HMDB01510 Bupropion C13H18ClNO 239.107697 NA HMDB2010 NA NA +HMDB01510 Bupropion C13H18ClNO 239.1077 http://www.hmdb.ca/metabolites/HMDB01510 HMDB NA NA +C06860 Bupropion C13H18ClNO 239.1077 NA KEGG NA NA +HMDB01510 Bupropion C13H18ClNO 239.1077 HMDB01510 PFEM_hmdb_metabocards_official NA NA +3992 f(45-48) of bovine lactoferrin CIRA 239.111 MH2+ Inhouse_peptide NA peptide +MJ013348 1-(3-Amino-4-hydroxyphenyl)-1,2-propanediol, 4'-Me ether, N-Ac C12H17NO4 239.115758 NA MeJP NA NA +MJ013349 2-Amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid, Et ester C12H17NO4 239.115758 NA MeJP NA NA +MJ013350 3-Hydroxy-4,5-dimethoxyphenethylamine; N-Ac C12H17NO4 239.115758 NA MeJP NA NA +MJ013351 Mescalineyl C12H17NO4 239.115758 NA MeJP NA NA +MJ013352 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, N,N,N-Tri-Me, betaine C12H18NO4(+) 239.115758 NA MeJP NA NA +MJ013353 Emorfazone C11H17N3O3 239.126991 NA MeJP NA NA +MJ013354 10-(3-Pyridinyl)-3,5,7,9-decatetraen-2-one, 3-Methyl C16H17NO 239.131014 NA MeJP NA NA +MJ013355 2,4-Undecadiene-8,10-diynoic acid, 2,3-Didehydropiperidide C16H17NO 239.131014 NA MeJP NA NA +MJ013356 3,4,5,6-Tetrahydro-1-phenyl-1H-2,5-benzoxazocine C16H17NO 239.131014 NA MeJP NA NA +MJ013357 6-(1H-Indol-3-yl)-5-methyl-3,5-heptadien-2-one C16H17NO 239.131014 NA MeJP NA NA +MJ013358 12-Isothiocyanato-11-dodecenal C13H21NOS 239.134384 NA MeJP NA NA +MJ013359 Heteromine H; N2,N2-Di-Me C10H17N5O2 239.138224 NA MeJP NA NA +2668 synthetic fr, of human beta-CN (124-127) ACE inhibitor LHLP 239.139 MH2+ Inhouse_peptide NA peptide +3314 NA LLPH 239.139 MH2+ Inhouse_peptide NA peptide +C12454 Anatalline C15H17N3 239.1422 NA KEGG NA NA +MJ013360 Anabasamine; N-De-Me C15H17N3 239.142247 NA MeJP NA NA +MJ013361 Anatalline C15H17N3 239.142247 NA MeJP NA NA +MJ013362 Tebatizole C12H21N3S 239.145618 NA MeJP NA NA +C07053 Isoetharine C13H21NO3 239.1521 NA KEGG NA NA +C10348 Macrophylline C13H21NO3 239.1521 NA KEGG NA NA +C11770 R-Salbutamol C13H21NO3 239.1521 NA KEGG NA NA +MJ013363 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-(3-Methylbutanoyl) C13H21NO3 239.152143 NA MeJP NA NA +MJ013364 2-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-(3-Methyl-2-butenoyl) C13H21NO3 239.152143 NA MeJP NA NA +MJ013365 2-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-Angeloyl C13H21NO3 239.152143 NA MeJP NA NA +MJ013366 2-Hydroxy-1-hydroxymethylpyrrolizidine, O2-(3-Methyl-2-butenoyl) C13H21NO3 239.152143 NA MeJP NA NA +MJ013367 2-Hydroxy-1-hydroxymethylpyrrolizidine, O2-Angeloyl C13H21NO3 239.152143 NA MeJP NA NA +MJ013368 3-Tigloyloxytropane; 3?-form, N-Oxide C13H21NO3 239.152143 NA MeJP NA NA +MJ013369 7-Hydroxy-1-hydroxymethylpyrrolizidine, O-Angeloyl C13H21NO3 239.152143 NA MeJP NA NA +MJ013370 7-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-Angeloyl C13H21NO3 239.152143 NA MeJP NA NA +MJ013371 7-Hydroxy-1-hydroxymethylpyrrolizidine, O7-Angeloyl C13H21NO3 239.152143 NA MeJP NA NA +MJ013372 7-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-(3-Methyl-2-butenoyl) C13H21NO3 239.152143 NA MeJP NA NA +MJ013373 7-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-Angeloyl C13H21NO3 239.152143 NA MeJP NA NA +MJ013374 7-Hydroxy-1-hydroxymethylpyrrolizidine, O7-Angeloyl C13H21NO3 239.152143 NA MeJP NA NA +MJ013375 7-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-Angeloyl C13H21NO3 239.152143 NA MeJP NA NA +MJ013376 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(3-Methyl-2-butenoyl) C13H21NO3 239.152143 NA MeJP NA NA +MJ013377 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 6-O-Angeloyl C13H21NO3 239.152143 NA MeJP NA NA +MJ013378 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 6-O-Tigloyl C13H21NO3 239.152143 NA MeJP NA NA +MJ013379 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Tigloyl C13H21NO3 239.152143 NA MeJP NA NA +MJ013380 Isoetarine C13H21NO3 239.152143 NA MeJP NA NA +MJ013381 Macromerine, Me ether C13H21NO3 239.152143 NA MeJP NA NA +MJ013382 Mescaline; N,N-Di-Me C13H21NO3 239.152143 NA MeJP NA NA +MJ013383 Moprolol C13H21NO3 239.152143 NA MeJP NA NA +MJ013384 Salbutamol C13H21NO3 239.152143 NA MeJP NA NA +HMDB01937 Salbutamol C13H21NO3 239.152145 NA HMDB2010 NA NA +HMDB01937 Salbutamol C13H21NO3 239.15215 http://www.hmdb.ca/metabolites/HMDB01937 HMDB NA NA +HMDB01937 Salbutamol C13H21NO3 239.15215 HMDB01937 PFEM_hmdb_metabocards_official NA NA +MJ013385 2,2'-Diphenyldiethylamine; N-Me C17H21N 239.167399 NA MeJP NA NA +MJ013386 Benzfetamine C17H21N 239.167399 NA MeJP NA NA +C07538 Benzphetamine C17H21N 239.1674 NA KEGG NA NA +MJ013387 2,4-Decadienoic isobutylamide, 6-Hydroxy C14H25NO2 239.188529 NA MeJP NA NA +MJ013388 8,10-Diethyllobelidiol; 3,4-Didehydro, 2'-ketone C14H25NO2 239.188529 NA MeJP NA NA +MJ013389 Calvine C14H25NO2 239.188529 NA MeJP NA NA +MJ013390 Lupinine, Butanoyl C14H25NO2 239.188529 NA MeJP NA NA +MJ013391 3-Butyl-5-propylindolizidine, 3''-Hydroxy C15H29NO 239.224914 NA MeJP NA NA +MJ013392 3-Butyl-5-propylindolizidine, 4'-Hydroxy C15H29NO 239.224914 NA MeJP NA NA +MJ013393 3-Heptyl-5-methylpyrrolizidine, 6'?-Hydroxy C15H29NO 239.224914 NA MeJP NA NA +MJ013394 4-Hydroxy-2-methyl-6-nonylpiperidine, Oxo C15H29NO 239.224914 NA MeJP NA NA +MJ013395 Dendrobates Alkaloid 223C; Hydroxy (?)(1) C15H29NO 239.224914 NA MeJP NA NA +MJ013396 Dendrobates Alkaloid 223C; Hydroxy (?)(2) C15H29NO 239.224914 NA MeJP NA NA +MJ013397 Dendrobates Alkaloid 223D; Hydroxy (?) C15H29NO 239.224914 NA MeJP NA NA +MJ013398 2,5-Dialkylpyrrolidines; 2-Butyl-5-heptylpyrrolidine, N-Me C16H33N 239.2613 NA MeJP NA NA +MJ013399 2-Methyl-6-nonylpiperidine; N-Me C16H33N 239.2613 NA MeJP NA NA +8191 peptide from human milk HNPI 239.61845 MH2+ Inhouse_peptide NA peptide +8157 ACE inhibitor from b-CN (63-67) PGPIP 239.6305 MH2+ Inhouse_peptide NA peptide +MJ013400 2-Bromo-4,6-dichlorophenol C6H3BrCl2O 239.874432 NA MeJP NA NA +MJ013401 4-Bromo-2,5-dichlorophenol C6H3BrCl2O 239.874432 NA MeJP NA NA +MetaCyc02186 trimetaphosphate [TMP;] H3O9P3 239.898991 7785-84-4 metacyc NA NA +C02466 Trimetaphosphate P3H3O9 239.899 NA KEGG NA NA +C14310 Picloram C6H3Cl3N2O2 239.926 NA KEGG NA NA +MJ013402 Thallium(I) chloride (TlCl) ClTl 239.943264 NA MeJP NA NA +C15226 Thallium chloride TlCl 239.9433 NA KEGG NA NA +MetaCyc02187 PbS [galena;lead sulfide;lead monosulfide;plumbous sulfide;lead(2+) sulfide;lead(II) sulfide;] S1PB1 239.948707 NA metacyc NA NA +MJ013403 2,4,6-Trichloro-5-methyl-1,3-benzenediol; 3-Me ether C8H7Cl3O2 239.951162 NA MeJP NA NA +MJ013404 7-Bromo-2,4-dihydroxyquinazoline C8H5BrN2O2 239.95344 NA MeJP NA NA +C11160 Tetramethylthioperoxydicarbonic diamide C6H12N2S4 239.9883 NA KEGG NA NA +MJ013405 Tetramethylthiuram disulfide C6H12N2S4 239.988331 NA MeJP NA NA +MJ013406 6-Chloro-2-quinoxalinecarboxylic acid; 1,4-Dioxide C9H5ClN2O4 239.993784 NA MeJP NA NA +MJ013407 5-Chloro-3-methylbenzo[b]thiophene-2-acetic acid C11H9ClO2S 240.001177 NA MeJP NA NA +MetaCyc02188 phosphate-ester-of-dihydrofuran [] C6H9O8P1 240.003504 NA metacyc NA NA +MetaCyc02189 methanofuran biosynththesis intermediate MF3 [] C6H9O8P1 240.003504 NA metacyc NA NA +C16196 1,2-Dihydroxynaphthalene-6-sulfonate C10H8O5S 240.0092 NA KEGG NA NA +CJneg0445 Hydroxyphenyllactic acid [(M-H)+(NaCl)]- C9H9ClNaO4 240.017125 C18rt(min)=5.22 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0445 Hydroxyphenyllactic acid [(M-H)+(NaCl)]- C9H9ClNaO4 240.017125 C18rt(min)=5.22 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ013408 5-Chloro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one; 6-Me ether C11H9ClO4 240.018936 NA MeJP NA NA +MJ013409 7-Chloro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one; 6-Me ether C11H9ClO4 240.018936 NA MeJP NA NA +MJ013410 8-Chloro-5,7-dihydroxy-2,6-dimethyl-4H-1-benzopyran-4-one C11H9ClO4 240.018936 NA MeJP NA NA +MJ013411 8-Hydroxy-3,4-bis(hydroxymethyl)-1H-2-benzopyran-1-one; 1'-Deoxy, 5-chloro C11H9ClO4 240.018936 NA MeJP NA NA +C00491 L-Cystine C6H12N2O4S2 240.0238 NA KEGG NA NA +C01420 Cystine C6H12N2O4S2 240.0238 NA KEGG NA NA +MJ013412 Cystine C6H12N2O4S2 240.023848 NA MeJP NA NA +MJ013413 L-Cystine C6H12N2O4S2 240.023848 NA MeJP NA NA +MetaCyc02190 cystine [L-cystine;] C6H12N2O4S2 240.023848 24645-67-8 metacyc NA NA +LABER060 Cystine NA 240.023849 RT 1.91 fragt PFEM_hmdb_metabocards_urine NA urine +LABER060 Cystine NA 240.023849 RT 1.91 fragt BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER060 Cystine NA 240.023849 RT 1.91 fragt Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER060 Cystine NA 240.023849 RT 1.91 fragt banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER060 Cystine NA 240.023849 RT 1.91 fragt HMDB NA NA +HMDB00192 L-Cystine C6H12N2O4S2 240.023849 NA HMDB2010 NA NA +LABER060 Cystine NA 240.023849 RT 1.91 fragt Inhouse_PFEM NA NA +LABER060 Cystine NA 240.023849 RT 1.91 fragt Inhousejuil11 NA NA +LABER060 Cystine NA 240.023849 RT 1.91 fragt PFEM_hmdb_metabocards_blood NA blood +LABER060 Cystine NA 240.023849 RT 1.91 fragt PFEM_hmdb_metabocards_official NA NA +HMDB00192 L-Cystine C6H12N2O4S2 240.02385 http://www.hmdb.ca/metabolites/HMDB00192 PFEM_hmdb_metabocards_urine NA urine +HMDB00192 L-Cystine C6H12N2O4S2 240.02385 http://www.hmdb.ca/metabolites/HMDB00192 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00192 L-Cystine C6H12N2O4S2 240.02385 http://www.hmdb.ca/metabolites/HMDB00192 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00192 L-Cystine C6H12N2O4S2 240.02385 http://www.hmdb.ca/metabolites/HMDB00192 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00192 L-Cystine C6H12N2O4S2 240.02385 http://www.hmdb.ca/metabolites/HMDB00192 HMDB NA NA +HMDB00192 L-Cystine C6H12N2O4S2 240.02385 Tripeptides ;SYN:a-Spaglumic acid; Acetyl-a-L-aspartylglutamic acid; Isospaglumic acid; N-(N-Acetylaspartyl)glutamic acid; N-Acetyl-a-L-aspartyl-L-glutamic acid; N-Acetyl-a-aspartylglutamic acid; N-Acetyl-L-aspartyl-L-glutamic acid; NAAG; alpha-Spaglumic acid; Acetyl-alpha-L-aspartylglutamic acid; N-Acetyl-alpha-L-aspartyl-L-glutamic acid; N-Acetyl-alpha-aspartylglutamic acidH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00192 L-Cystine C6H12N2O4S2 240.02385 http://www.hmdb.ca/metabolites/HMDB00192 PFEM_hmdb_metabocards_blood NA blood +HMDB00192 L-Cystine C6H12N2O4S2 240.02385 HMDB00192 PFEM_hmdb_metabocards_official NA NA +MJ013414 1,8-Dichloro-6-chloromethyl-2-methyl-2,6-octadiene C10H15Cl3 240.023933 NA MeJP NA NA +MJ013415 3,5,8-Trichloro-2,6-dimethyl-1,6-octadiene C10H15Cl3 240.023933 NA MeJP NA NA +MJ013416 3,8-Dichloro-6-chloromethyl-2-methyl-1,6-octadiene C10H15Cl3 240.023933 NA MeJP NA NA +EUR215 Cysteine F5 F5 240.024475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR215 Cysteine F5 NA 240.024475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR215 Cysteine F5 F5 240.024475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR215 Cysteine F5 NA 240.024475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR215 Cysteine F5 F5 240.024475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR215 Cysteine F5 NA 240.024475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR215 Cysteine F5 F5 240.024475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR215 Cystéine F5 F5 240.024475 standards wishlist analysés sur QTOF HMDB NA NA +EUR215 Cysteine F5 F5 240.024475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR215 Cysteine F5 NA 240.024475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR215 Cysteine F5 F5 240.024475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR215 Cysteine F5 F5 240.024475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ013417 Thiofuradene C8H8N4O3S 240.03171 NA MeJP NA NA +MJ013418 1,2-Dihydroxyanthraquinone C14H8O4 240.042258 NA MeJP NA NA +MJ013419 1,2-Dihydroxyxanthone; Methylene ether C14H8O4 240.042258 NA MeJP NA NA +MJ013420 1,3-Dihydroxyanthraquinone C14H8O4 240.042258 NA MeJP NA NA +MJ013421 1,4-Dihydroxyanthraquinone C14H8O4 240.042258 NA MeJP NA NA +MJ013422 1,8-Dihydroxyanthraquinone C14H8O4 240.042258 NA MeJP NA NA +MJ013423 2,3-Dihydroxyxanthone; 2,3-Methylene ether C14H8O4 240.042258 NA MeJP NA NA +MJ013424 2-Acetylnaphtho[2,3-b]furan-4,9-dione C14H8O4 240.042258 NA MeJP NA NA +MetaCyc02191 alizarin [] C14H8O4 240.042259 NA metacyc NA NA +C01474 Alizarin C14H8O4 240.0423 NA KEGG NA NA +C10312 Chrysazin C14H8O4 240.0423 NA KEGG NA NA +C14267 2,6-Dihydroxyanthraquinone C14H8O4 240.0423 NA KEGG NA NA +C11337 Tetramisole hydrochloride C11H12N2S 240.0488 NA KEGG NA NA +MJ013425 2-Hydroxy-1-phenazinecarboxylic acid C13H8N2O3 240.053492 NA MeJP NA NA +MJ013426 4-Hydroxy-1-phenazinecarboxylic acid C13H8N2O3 240.053492 NA MeJP NA NA +MJ013427 9-Hydroxy-1-phenazinecarboxylic acid C13H8N2O3 240.053492 NA MeJP NA NA +MJ013428 Doqualast C13H8N2O3 240.053492 NA MeJP NA NA +MJ013429 9-Chloro-p-mentha-1,3,5,8-tetraene-3,10-diol; 8Z-form, 10-Ac C12H13ClO3 240.055321 NA MeJP NA NA +MJ013430 4-Hydroxy-7-[1-hydroxy-2-(methylamino)ethyl]-2(3H)-benzothiazolone C10H12N2O3S 240.056862 NA MeJP NA NA +C10965 Bentazone C10H12N2O3S 240.0569 NA KEGG NA NA +C16880 S 1319 C10H12N2O3S 240.0569 NA KEGG NA NA +MJ013431 2-(4-Fluorophenyl)-1,3-indanedione C15H9FO2 240.058657 NA MeJP NA NA +MJ013432 2-Succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate C11H12O6 240.063388 NA MeJP NA NA +MJ013433 1,3-Dihydro-3,7-dihydroxy-5-methoxy-6-methyl-4-isobenzofurancarboxylic acid C11H12O6 240.063388 NA MeJP NA NA +MJ013434 2-Acetyl-3,4,5-trihydroxybenzeneacetic acid; 4-Me ether C11H12O6 240.063388 NA MeJP NA NA +MJ013435 2-Acetyl-3,4,5-trihydroxybenzeneacetic acid; 5-Me ether C11H12O6 240.063388 NA MeJP NA NA +MJ013436 2-Hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid C11H12O6 240.063388 NA MeJP NA NA +MJ013437 3,4-Dihydro-4,6,7,8-tetrahydroxy-3-methyl-1H-2-benzopyran-1-one, 7-Me ether C11H12O6 240.063388 NA MeJP NA NA +MJ013438 Cyclopolic acid C11H12O6 240.063388 NA MeJP NA NA +MJ013439 Scytolide C11H12O6 240.063388 NA MeJP NA NA +MJ013440 Thevefolic acid B; 1-Me ester C11H12O6 240.063388 NA MeJP NA NA +MetaCyc02192 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate [(1S,6R)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate;] C11H12O6 240.063388 NA metacyc NA NA +C05817 (1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate C11H12O6 240.0634 NA KEGG NA NA +C05818 2-Demethylmenaquinone C15H14O2 240.0634 NA KEGG NA NA +C05819 Menaquinol C16H18O2 240.0634 NA KEGG NA NA +MJ013441 Propyl 1-(propylthio)propyl disulfide; 7-Oxide C9H20OS3 240.067627 NA MeJP NA NA +MJ013442 2-(4-Amino-3-methylphenyl)benzothiazole C14H12N2S 240.072119 NA MeJP NA NA +C14302 Dinoseb C10H12N2O5 240.0746 NA KEGG NA NA +MJ013443 Clavaminic acid, N-Ac C10H12N2O5 240.074621 NA MeJP NA NA +C10258 Flavidin C15H12O3 240.0786 NA KEGG NA NA +C10314 Chrysophanic acid 9-anthrone C15H12O3 240.0786 NA KEGG NA NA +C14221 6-Hydroxyflavanone C15H12O3 240.0786 NA KEGG NA NA +C14241 4'-Hydroxyflavanone C15H12O3 240.0786 NA KEGG NA NA +C14290 7-Hydroxyflavanone C15H12O3 240.0786 NA KEGG NA NA +C15204 3'-Hydroxyflavanone C15H12O3 240.0786 NA KEGG NA NA +C15570 Dihydroflavonol C15H12O3 240.0786 NA KEGG NA NA +FL1C19NS0001 2',4'-Dihydroxychalcone C15H12O3 240.07864 1776-30-3 knapsack NA NA +FL1C98NS0001 2,2'-Dihydroxychalcone C15H12O3 240.07864 - knapsack NA NA +FL1C99NS0002 3,3'-Dihydroxychalcone C15H12O3 240.07864 142784-23-4 knapsack NA NA +FL1C9ANS0001 4,4'-Dihydroxychalcone C15H12O3 240.07864 3600-61-1 knapsack NA NA +FL1CHYNS0001 2'-beta-Dihydroxychalcone C15H12O3 240.07864 39103-33-8 knapsack NA NA +FL2F19NS0001 7-Hydroxyflavanone C15H12O3 240.07864 6515-36-2 knapsack NA NA +MJ013444 1,8-Dihydroxy-3-methyl-9(10H)-anthracenone C15H12O3 240.078644 NA MeJP NA NA +MJ013445 1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione C15H12O3 240.078644 NA MeJP NA NA +MJ013446 13-Oxo-1(10),4(15),5,7(11),8-guaiapentaen-12,6-olide C15H12O3 240.078644 NA MeJP NA NA +MJ013447 2',4'-Dihydroxychalcone C15H12O3 240.078644 NA MeJP NA NA +MJ013448 2,3,7-Phenanthrenetriol; 3-Me ether C15H12O3 240.078644 NA MeJP NA NA +MJ013449 2,4'-Dihydroxychalcone C15H12O3 240.078644 NA MeJP NA NA +MJ013450 2,4,5-Phenanthrenetriol; 4-Me ether C15H12O3 240.078644 NA MeJP NA NA +MJ013451 2,4,7-Phenanthrenetriol; 2-Me ether C15H12O3 240.078644 NA MeJP NA NA +MJ013452 2,4,7-Phenanthrenetriol; 4-Me ether C15H12O3 240.078644 NA MeJP NA NA +MJ013453 2,4-Dihydroxychalcone C15H12O3 240.078644 NA MeJP NA NA +MJ013454 2-Oxo-1(10),3,5,7(11),8-guaiapentaen-12,6-olide C15H12O3 240.078644 NA MeJP NA NA +MJ013455 2-Oxo-1(10),3,5,7(11),8-guaiapentaen-12,8-olide C15H12O3 240.078644 NA MeJP NA NA +MJ013456 3,3'-Dihydroxychalcone C15H12O3 240.078644 NA MeJP NA NA +MJ013457 3-Hydroxyflavanone C15H12O3 240.078644 NA MeJP NA NA +MJ013458 3-Tridecene-5,7,9,11-tetrayne-1,2-diol, 1-Ac C15H12O3 240.078644 NA MeJP NA NA +MJ013459 4',7-Dihydroxyisoflavene C15H12O3 240.078644 NA MeJP NA NA +MJ013460 4,4'-Dihydroxychalcone C15H12O3 240.078644 NA MeJP NA NA +MJ013461 7-(3-Hydroxyphenyl)-2-heptene-4,6-diyn-1-ol, 3'-Ac C15H12O3 240.078644 NA MeJP NA NA +MJ013462 7-Acetyl-8-hydroxy-2-methylnaphtho[1,8-bc]pyran C15H12O3 240.078644 NA MeJP NA NA +MJ013463 7-Hydroxyflavanone C15H12O3 240.078644 NA MeJP NA NA +MJ013464 Atractylodin; 9'-Acetoxy C15H12O3 240.078644 NA MeJP NA NA +MJ013465 Dehydro-?-lapachone C15H12O3 240.078644 NA MeJP NA NA +MJ013466 Dehydro-?-lapachone C15H12O3 240.078644 NA MeJP NA NA +MJ013467 Dehydroiso-?-lapachone C15H12O3 240.078644 NA MeJP NA NA +MJ013468 Dunnione, 2',3'-Didehydro C15H12O3 240.078644 NA MeJP NA NA +MJ013469 Flavidin C15H12O3 240.078644 NA MeJP NA NA +MJ013470 Freelingyne C15H12O3 240.078644 NA MeJP NA NA +MJ013471 Mansonone F C15H12O3 240.078644 NA MeJP NA NA +MJ013472 Pterophyllin 1; 2,3-Didehydro C15H12O3 240.078644 NA MeJP NA NA +MJ013473 Thespone C15H12O3 240.078644 NA MeJP NA NA +MJ013474 D-glycero-D-ido-3-Octulose C8H16O8 240.084517 NA MeJP NA NA +MJ013475 D-glycero-D-manno-Octulose C8H16O8 240.084517 NA MeJP NA NA +MJ013476 D-glycero-L-galacto-Octulose C8H16O8 240.084517 NA MeJP NA NA +CJneg0446 Pentose [(2M-H)-(C2H4O2)]- C8H15O8 240.085025 C18rt(min)=0.95 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0446 Pentose [(2M-H)-(C2H4O2)]- C8H15O8 240.085025 C18rt(min)=0.95 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C14299 Cyanazine C9H13ClN6 240.089 NA KEGG NA NA +MJ013477 1,6-Phenazinediol; Di-Me ether C14H12N2O2 240.089877 NA MeJP NA NA +MJ013478 1-Acetyl-4-methoxy-?-carboline C14H12N2O2 240.089877 NA MeJP NA NA +MJ013479 1-Acetyl-7-hydroxy-?-carboline; Me ether C14H12N2O2 240.089877 NA MeJP NA NA +MJ013480 1-Methyl-?-carboline-3-carboxylic acid; Me ester C14H12N2O2 240.089877 NA MeJP NA NA +MJ013481 4,8-Dihydroxy-1-vinyl-?-carboline; 4-Me ether C14H12N2O2 240.089877 NA MeJP NA NA +MJ013482 4-Methoxy-1-vinyl-?-carboline; 6-Hydroxy C14H12N2O2 240.089877 NA MeJP NA NA +MJ013483 ?-Carboline-1-carboxylic acid; Et ester C14H12N2O2 240.089877 NA MeJP NA NA +MJ013484 ?-Carboline-1-propanoic acid C14H12N2O2 240.089877 NA MeJP NA NA +MJ013485 ?-Carboline-3-carboxylic acid; Et ester C14H12N2O2 240.089877 NA MeJP NA NA +MJ013486 Arenarine B; 1'-Ketone C14H12N2O2 240.089877 NA MeJP NA NA +MJ013487 Fluorodaturatin C14H12N2O2 240.089877 NA MeJP NA NA +MJ013488 Rolafagrel C14H12N2O2 240.089877 NA MeJP NA NA +MJ013489 Salicylaldehyde benzoylhydrazone C14H12N2O2 240.089877 NA MeJP NA NA +MJ013490 Buthalital C11H16N2O2S 240.093248 NA MeJP NA NA +CJneg0447 Heptylmalonic acid [(M+Cl)]- (37Cl) C10H18Cl037ClO4 240.094825 C18rt(min)=6.05 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0447 Heptylmalonic acid [(M+Cl)]- (37Cl) C10H18Cl037ClO4 240.094825 C18rt(min)=6.05 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ013491 1-(2,3,4,5-Tetrahydroxyphenyl)-1-propanol; 3',4'-Methylene, 2',5'-di-Me ether C12H16O5 240.099773 NA MeJP NA NA +MJ013492 2',3',4',6'-Tetrahydroxyacetophenone; Tetra-Me ether C12H16O5 240.099773 NA MeJP NA NA +MJ013493 3,4,6-Trihydroxy-2-methylbenzoic acid; Tri-Me ether, Me ester C12H16O5 240.099773 NA MeJP NA NA +MJ013494 3-(3,4,5-Trihydroxyphenyl)propanoic acid; Tri-Me ether C12H16O5 240.099773 NA MeJP NA NA +MJ013495 3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid C12H16O5 240.099773 NA MeJP NA NA +MJ013496 4,5,6,7-Tetrahydro-6,7-dihydroxy-3-(2-hydroxybutylidene)-1(3H)-isobenzofuranone C12H16O5 240.099773 NA MeJP NA NA +MJ013497 4-Hexyl-2,5-dihydro-2,5-dioxo-3-furanacetic acid C12H16O5 240.099773 NA MeJP NA NA +MJ013498 Cycloepoxydon C12H16O5 240.099773 NA MeJP NA NA +MJ013499 Pyrenocine A; 2',3'-Dihydro, 3'-methoxy C12H16O5 240.099773 NA MeJP NA NA +MJ013500 2-(Dimethylamino)-5-(1H-indol-3-yl)-4H-imidazol-4-one C13H12N4O 240.101111 NA MeJP NA NA +MJ013501 Aplysinopsin; 2'-N-De-Me C13H12N4O 240.101111 NA MeJP NA NA +MJ013502 Imazodan C13H12N4O 240.101111 NA MeJP NA NA +MJ013503 Oxifungin C13H12N4O 240.101111 NA MeJP NA NA +MJ013504 Quinezamide C13H12N4O 240.101111 NA MeJP NA NA +MJ013505 7-Methyl-2,5-octanediol, 5-Sulfate C9H20O5S 240.103144 NA MeJP NA NA +15 Actomyosin DLYA 240.1055 MH2+ Inhouse_peptide NA peptide +MJ013506 Norepinephrine, N-(3-Aminopropanoyl) C11H16N2O4 240.111007 NA MeJP NA NA +8021 synthetic peptide LWY 240.113 MH2+ Inhouse_peptide NA peptide +C09950 Lapachenole C16H16O2 240.115 NA KEGG NA NA +C14234 Dimethylstilbestrol C16H16O2 240.115 NA KEGG NA NA +C15131 2,5-Dimethoxystilbene C16H16O2 240.115 NA KEGG NA NA +C17021 Navenone C C16H16O2 240.115 NA KEGG NA NA +C17022 O-Phosphoseryl-tRNA(Cys) C13H23NO15P2R2 240.115 NA KEGG NA NA +C17023 Sulfur donor C13H23NO15P2R2 240.115 NA KEGG NA NA +MJ013507 1-(4-Ethyl-3,5-dihydroxyphenyl)-2-phenylethylene C16H16O2 240.115029 NA MeJP NA NA +MJ013508 10-(4-Hydroxyphenyl)-3,5,7,9-decatetraen-2-one C16H16O2 240.115029 NA MeJP NA NA +MJ013509 2,3-Bis(4-hydroxyphenyl)-2-butene C16H16O2 240.115029 NA MeJP NA NA +MJ013510 2,4,6,8,10,12,14-Hexadecaheptaenedial C16H16O2 240.115029 NA MeJP NA NA +MJ013511 2,6-Dihydroxy-1,7-dimethylphenanthrene; 9,10-Dihydro C16H16O2 240.115029 NA MeJP NA NA +MJ013512 2-(4-Biphenylyl)butanoic acid C16H16O2 240.115029 NA MeJP NA NA +MJ013513 2-Methyl-3-prenyl-1,4-naphthoquinone C16H16O2 240.115029 NA MeJP NA NA +MJ013514 3,5-Dihydroxystilbene, Di-Me ether C16H16O2 240.115029 NA MeJP NA NA +MJ013515 4'-Methoxyflavan C16H16O2 240.115029 NA MeJP NA NA +MJ013516 4,6-Tetradecadiene-8,10,12-triyn-1-ol, Ac C16H16O2 240.115029 NA MeJP NA NA +MJ013517 Demethylcacalohastine; 3,4-Didehydro, Me ether C16H16O2 240.115029 NA MeJP NA NA +MJ013518 Lapachenol C16H16O2 240.115029 NA MeJP NA NA +MJ013519 Naphthonone C16H16O2 240.115029 NA MeJP NA NA +MJ013520 Obtustyrene C16H16O2 240.115029 NA MeJP NA NA +C00884 Homocarnosine C10H16N4O3 240.1222 NA KEGG NA NA +C01262 beta-Alanyl-N(pi)-methyl-L-histidine C10H16N4O3 240.1222 NA KEGG NA NA +C04138 N(alpha)-gamma-L-Glutamylhistamine C10H16N4O3 240.1222 NA KEGG NA NA +C04141 Phospho-beta-adrenergic receptor C4H7N2O6PR2 240.1222 NA KEGG NA NA +C04142 Protein glutamate methyl ester C7H10N2O4R2 240.1222 NA KEGG NA NA +C04143 Protein N(omega)-Methyl-L-arginine C8H15N5O2R2 240.1222 NA KEGG NA NA +HMDB00194 Anserine C10H16N4O3 240.122238 NA HMDB2010 NA NA +HMDB00745 Homocarnosine C10H16N4O3 240.122238 NA HMDB2010 NA NA +HMDB05769 Balenine C10H16N4O3 240.122238 NA HMDB2010 NA NA +HMDB00194 Anserine C10H16N4O3 240.12224 http://www.hmdb.ca/metabolites/HMDB00194 PFEM_hmdb_metabocards_urine NA urine +HMDB00194 Anserine C10H16N4O3 240.12224 http://www.hmdb.ca/metabolites/HMDB00194 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00194 Anserine C10H16N4O3 240.12224 http://www.hmdb.ca/metabolites/HMDB00194 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00194 Anserine C10H16N4O3 240.12224 http://www.hmdb.ca/metabolites/HMDB00194 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00194 Anserine C10H16N4O3 240.12224 http://www.hmdb.ca/metabolites/HMDB00194 HMDB NA NA +HMDB00745 Homocarnosine C10H16N4O3 240.12224 http://www.hmdb.ca/metabolites/HMDB00745 HMDB NA NA +HMDB05769 Balenine C10H16N4O3 240.12224 http://www.hmdb.ca/metabolites/HMDB05769 HMDB NA NA +HMDB00194 Anserine C10H16N4O3 240.12224 NA ;SYN:1-Amino-2-carboxybenzene; 2-Aminobenzoate; 2-Aminobenzoic acid; 2-Aminophenylacetate; 2-Aminophenylacetic acid; 2-Carboxyaniline; 2-amino-Benzoate; 2-amino-Benzoic acid; Anthranate; Anthranic acid; Anthranilate; Anthranilic acid; Carboxyaniline; H-2-Abz-OH; Kyselina anthranilova; Kyselina o-aminobenzoova; Ortho-amidobenzoate; Ortho-amidobenzoic acid; Ortho-aminobenzoate; Ortho-aminobenzoic acid; Vitamin L; Vitamin L1; anthranilic acid gr; o-Aminobenzoate; o-Aminobenzoic acid; o-Anthranilate; o-Anthranilic acid; o-Carboxyaniline; o-amino-Benzoate; o-amino-Benzoic acidH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +MJ013521 Anserine C10H16N4O3 240.12224 NA MeJP NA NA +MJ013522 Dimetilan, ESA C10H16N4O3 240.12224 NA MeJP NA NA +MJ013523 Homocarnosine C10H16N4O3 240.12224 NA MeJP NA NA +MJ013524 Ophidine C10H16N4O3 240.12224 NA MeJP NA NA +MJ013525 Homocarnosine C10H16N4O3 240.12224 NA MeJP NA NA +MJ013526 beta-Alanyl-N(pai)-methyl-L-histidine C10H16N4O3 240.12224 NA MeJP NA NA +MetaCyc02193 N-α-γ-L-glutamylhistamine [N(α)-γ-L-glutamylhistamine;] C10H16N4O3 240.12224 NA metacyc NA NA +MetaCyc02194 anserine [β-alanyl-Nπ-methyl-L-histidine;] C10H16N4O3 240.12224 584-85-0 metacyc NA NA +HMDB00194 Anserine C10H16N4O3 240.12224 http://www.hmdb.ca/metabolites/HMDB00194 PFEM_hmdb_metabocards_blood NA blood +HMDB00194 Anserine C10H16N4O3 240.12224 HMDB00194 PFEM_hmdb_metabocards_official NA NA +HMDB00745 Homocarnosine C10H16N4O3 240.12224 HMDB00745 PFEM_hmdb_metabocards_official NA NA +HMDB05769 Balenine C10H16N4O3 240.12224 HMDB05769 PFEM_hmdb_metabocards_official NA NA +MJ013527 3,4,6,7,12,12b-Hexahydroindolo[2,3-a]quinolizin-2(1H)-one C15H16N2O 240.126263 NA MeJP NA NA +MJ013528 Ameltolide C15H16N2O 240.126263 NA MeJP NA NA +MJ013529 Antibiotic WS 30581B C15H16N2O 240.126263 NA MeJP NA NA +MJ013530 Benmoxin C15H16N2O 240.126263 NA MeJP NA NA +MJ013531 N,N'-Dibenzylurea C15H16N2O 240.126263 NA MeJP NA NA +MJ013532 Picobenzide C15H16N2O 240.126263 NA MeJP NA NA +MJ013533 Setoclavine, N-De-Me C15H16N2O 240.126263 NA MeJP NA NA +C03305 Prolyl-2-naphthylamide C15H16N2O 240.1263 NA KEGG NA NA +C03306 Protein L-isoaspartate C5H6N2O4R2 240.1263 NA KEGG NA NA +C11485 LY201116 C15H16N2O 240.1263 NA KEGG NA NA +MJ013534 2,6-Diamino-3a,4,9,10-tetrahydro-10-hydroxy-1H,8H-pyrrolo[1,2-c]purine-4-methanol C9H16N6O2 240.133473 NA MeJP NA NA +MJ013535 9-Hydroxy-2,8-dimethyl-3-oxo-4,6-undecadienoic acid C13H20O4 240.136159 NA MeJP NA NA +MJ013536 9-Hydroxy-8-(2-pentenylidene)-1,6-dioxaspiro[4.4]nonane-2-methanol C13H20O4 240.136159 NA MeJP NA NA +MJ013537 Drummondol C13H20O4 240.136159 NA MeJP NA NA +MJ013538 Drummondone A C13H20O4 240.136159 NA MeJP NA NA +MJ013539 Ficuspirolide C13H20O4 240.136159 NA MeJP NA NA +MJ013540 1,4-Dimethyl-1,4-diphenyl-2-tetrazene C14H16N4 240.137496 NA MeJP NA NA +MJ013541 Budralazine C14H16N4 240.137496 NA MeJP NA NA +MJ013542 Imiquimod C14H16N4 240.137496 NA MeJP NA NA +C11716 Mirasan C13H21ClN2 240.1393 NA KEGG NA NA +MJ013543 Slaframine C12H20N2O3 240.147392 NA MeJP NA NA +MJ013544 3,6-Bis(1-methylpropyl)-2(1H)-pyrazinone; N,1''-Dihydroxy C12H20N2O3 240.147392 NA MeJP NA NA +MJ013545 Alchorneinone C12H20N2O3 240.147392 NA MeJP NA NA +MJ013546 Flavacol; 1,1''-Dihydroxy C12H20N2O3 240.147392 NA MeJP NA NA +MJ013547 Flavacol; 1,2''-Dihydroxy C12H20N2O3 240.147392 NA MeJP NA NA +MJ013548 Hydroxyaspergillic acid C12H20N2O3 240.147392 NA MeJP NA NA +MJ013549 Pirbuterol C12H20N2O3 240.147392 NA MeJP NA NA +MJ013550 Tetrabarbital C12H20N2O3 240.147392 NA MeJP NA NA +C07807 Pirbuterol C12H20N2O3 240.1474 NA KEGG NA NA +C07808 Transferred to D00686 C12H20N2O3 240.1474 NA KEGG NA NA +C08445 Dehydrofalcarinone C17H20O 240.1514 NA KEGG NA NA +MJ013551 1,4,8,10,16-Heptadecapentaen-6-yn-3-one C17H20O 240.151415 NA MeJP NA NA +MJ013552 1,5-Diphenyl-3-pentanol C17H20O 240.151415 NA MeJP NA NA +MJ013553 1,7,9,15-Heptadecatetraene-11,13-diyn-6-ol C17H20O 240.151415 NA MeJP NA NA +MJ013554 1,7,9,15-Heptadecatetraene-11,13-diyne, 7,8-Epoxide C17H20O 240.151415 NA MeJP NA NA +MJ013555 1,8,10,12-Heptadecatetraene-4,6-diyn-3-ol C17H20O 240.151415 NA MeJP NA NA +MJ013556 1,8,16-Heptadecatriene-4,6-diyn-3-one C17H20O 240.151415 NA MeJP NA NA +MJ013557 1,9,16-Heptadecatriene-4,6-diyn-3-one C17H20O 240.151415 NA MeJP NA NA +MJ013558 1-Heptadecene-11,13,15-triyn-8-one C17H20O 240.151415 NA MeJP NA NA +MJ013559 2,4,8,10,16-Heptadecapentaen-6-yn-1-al C17H20O 240.151415 NA MeJP NA NA +MJ013560 2,8,10,16-Heptadecatetraene-4,6-diyn-1-ol C17H20O 240.151415 NA MeJP NA NA +MJ013561 2,8,10-Heptadecatriene-4,6-diyn-1-ol, Aldehyde C17H20O 240.151415 NA MeJP NA NA +MJ013562 2,9,16-Heptadecatriene-4,6-diynal C17H20O 240.151415 NA MeJP NA NA +MJ013563 5,7,9,15-Heptadecatetraene-11,13-diyn-4-ol C17H20O 240.151415 NA MeJP NA NA +MJ013564 7,9,15-Heptadecatriene-11,13-diyn-4-one C17H20O 240.151415 NA MeJP NA NA +MJ013565 7,9,15-Heptadecatriene-11,13-diynal C17H20O 240.151415 NA MeJP NA NA +MJ013566 8,10,16-Heptadecatriene-4,6-diyn-3-one C17H20O 240.151415 NA MeJP NA NA +MJ013567 Temofel C17H20O 240.151415 NA MeJP NA NA +PARAC025 UNKNOWN signif manip paracetamol NA 240.1527 RT1.7 PFEM_hmdb_metabocards_urine NA urine +PARAC025 UNKNOWN signif manip paracetamol NA 240.1527 RT1.7 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC025 UNKNOWN signif manip paracetamol NA 240.1527 RT1.7 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC025 UNKNOWN signif manip paracetamol NA 240.1527 RT1.7 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC025 UNKNOWN signif manip paracetamol NA 240.1527 RT1.7 HMDB NA NA +PARAC025 UNKNOWN signif manip paracetamol NA 240.1527 RT1.7 Inhouse_PFEM NA NA +PARAC025 UNKNOWN signif manip paracetamol NA 240.1527 RT1.7 PFEM_hmdb_metabocards_blood NA blood +PARAC025 UNKNOWN signif manip paracetamol NA 240.1527 RT1.7 PFEM_hmdb_metabocards_official NA NA +MJ013568 Gizzerosine C11H20N4O2 240.158625 NA MeJP NA NA +C09054 Borrerine C16H20N2 240.1626 NA KEGG NA NA +MJ013569 6,7-Secoagroclavine; Natural-form C16H20N2 240.162648 NA MeJP NA NA +MJ013570 Borrerine C16H20N2 240.162648 NA MeJP NA NA +MJ013571 Costaclavine C16H20N2 240.162648 NA MeJP NA NA +MJ013572 Festuclavine C16H20N2 240.162648 NA MeJP NA NA +MJ013573 Isoborrerine C16H20N2 240.162648 NA MeJP NA NA +MJ013574 Pheniramine C16H20N2 240.162648 NA MeJP NA NA +MJ013575 Pyroclavine C16H20N2 240.162648 NA MeJP NA NA +MJ013576 6-Chloro-4(15)-eudesmene; 6?-form C15H25Cl 240.164478 NA MeJP NA NA +MJ013577 11-Hydroxy-5-nor-4,5-seco-4,6-amorphanedione C14H24O3 240.172544 NA MeJP NA NA +MJ013578 2,4-Tetradecadienoic acid, 4,5-Epoxide C14H24O3 240.172544 NA MeJP NA NA +MJ013579 3-Oxo-2-pentyl-1-cyclopentanebutanoic acid C14H24O3 240.172544 NA MeJP NA NA +MJ013580 4,11-Dihydroxy-14-nor-10-guaianone C14H24O3 240.172544 NA MeJP NA NA +MJ013581 4,6-Dimethyl-2,4-dodecadienoic acid, 11-Hydroxy C14H24O3 240.172544 NA MeJP NA NA +MJ013582 Chokol A; 1-Ac C14H24O3 240.172544 NA MeJP NA NA +MJ013583 Phoracantholide K C14H24O3 240.172544 NA MeJP NA NA +MJ013584 Putaminoxin B C14H24O3 240.172544 NA MeJP NA NA +MJ013585 Putaminoxin D C14H24O3 240.172544 NA MeJP NA NA +MJ013586 Rishitin M1; 11R,13-Dihydro C14H24O3 240.172544 NA MeJP NA NA +MJ013587 Serricorole C14H24O3 240.172544 NA MeJP NA NA +MJ013588 Sulcatine E C14H24O3 240.172544 NA MeJP NA NA +MJ013589 Cropropamide C13H24N2O2 240.183778 NA MeJP NA NA +MJ013590 Spherophysine; N4'-Ac C12H24N4O 240.195011 NA MeJP NA NA +C17676 Cryptomeridiol C15H28O2 240.2089 NA KEGG NA NA +MJ013591 1,10-Farnesadiene-3,7-diol C15H28O2 240.20893 NA MeJP NA NA +MJ013592 1,11-Eudesmanediol C15H28O2 240.20893 NA MeJP NA NA +MJ013593 1-Dodecanol; 2-Propenoyl C15H28O2 240.20893 NA MeJP NA NA +MJ013594 1-Elemene-4,11-diol C15H28O2 240.20893 NA MeJP NA NA +MJ013595 10,11-Guaianediol C15H28O2 240.20893 NA MeJP NA NA +MJ013596 10-Bisabolene-7,15-diol C15H28O2 240.20893 NA MeJP NA NA +MJ013597 10-Tridecen-1-ol, Ac C15H28O2 240.20893 NA MeJP NA NA +MJ013598 10-Tridecen-2-ol, Ac C15H28O2 240.20893 NA MeJP NA NA +MJ013599 12-Methyl-4-tetradecenoic acid C15H28O2 240.20893 NA MeJP NA NA +MJ013600 13-Methyl-4-tetradecenoic acid C15H28O2 240.20893 NA MeJP NA NA +MJ013601 14-Hydroxy-12,13-dihydrosesquiterpineol C15H28O2 240.20893 NA MeJP NA NA +MJ013602 14-Pentadecanolide C15H28O2 240.20893 NA MeJP NA NA +MJ013603 15,5-Farnesanolide C15H28O2 240.20893 NA MeJP NA NA +MJ013604 15-Hydroxypentadecanoic acid; Lactone C15H28O2 240.20893 NA MeJP NA NA +MJ013605 2,10-Farnesadiene-1,7-diol C15H28O2 240.20893 NA MeJP NA NA +MJ013606 2,4,6,8-Tetramethyl-2-undecenal, Carboxylic acid C15H28O2 240.20893 NA MeJP NA NA +MJ013607 2-Bisabolene-1,12-diol C15H28O2 240.20893 NA MeJP NA NA +MJ013608 3,11-Eudesmanediol C15H28O2 240.20893 NA MeJP NA NA +MJ013609 3,7-Dimethyl-6-octen-1-ol, Pentanoyl C15H28O2 240.20893 NA MeJP NA NA +MJ013610 4,10-Cadinanediol C15H28O2 240.20893 NA MeJP NA NA +MJ013611 4,11-Eudesmanediol C15H28O2 240.20893 NA MeJP NA NA +MJ013612 4,5-Eudesmanediol C15H28O2 240.20893 NA MeJP NA NA +MJ013613 4,6-Eudesmanediol C15H28O2 240.20893 NA MeJP NA NA +MJ013614 4-Pentadecenoic acid C15H28O2 240.20893 NA MeJP NA NA +MJ013615 4-Tridecen-1-ol, Ac C15H28O2 240.20893 NA MeJP NA NA +MJ013616 5,11-Eudesmanediol C15H28O2 240.20893 NA MeJP NA NA +MJ013617 5-Decen-1-ol, 3-Methylbutanoyl C15H28O2 240.20893 NA MeJP NA NA +MJ013618 5-Dodecenoic acid, Isopropyl ester C15H28O2 240.20893 NA MeJP NA NA +MJ013619 7-Dodecenoic acid, Isopropyl ester C15H28O2 240.20893 NA MeJP NA NA +MJ013620 8,11-Drimanediol C15H28O2 240.20893 NA MeJP NA NA +MJ013621 8-Tetradecen-1-ol, Formyl C15H28O2 240.20893 NA MeJP NA NA +MJ013622 8-Tridecen-1-ol, Ac C15H28O2 240.20893 NA MeJP NA NA +MJ013623 9-Dodecen-1-ol, Propanoyl C15H28O2 240.20893 NA MeJP NA NA +MJ013624 9-Dodecenoic acid, Isopropyl ester C15H28O2 240.20893 NA MeJP NA NA +MJ013625 9-Oxo-15-bisabolanol C15H28O2 240.20893 NA MeJP NA NA +MJ013626 9-Tetradecen-1-ol, Formyl C15H28O2 240.20893 NA MeJP NA NA +MJ013627 Cyclonerodiol C15H28O2 240.20893 NA MeJP NA NA +C00517 Hexadecanal C16H32O 240.2453 NA KEGG NA NA +C00518 Hyaluronate C16H32O 240.2453 NA KEGG NA NA +C14499 1,2-Epoxyhexadecane C16H32O 240.2453 NA KEGG NA NA +MJ013628 Hexadecanal C16H32O 240.245315 NA MeJP NA NA +MJ013629 11-Hexadecen-1-ol C16H32O 240.245315 NA MeJP NA NA +MJ013630 14-Methyl-3-pentadecanone C16H32O 240.245315 NA MeJP NA NA +MJ013631 2-Hexadecanone C16H32O 240.245315 NA MeJP NA NA +MJ013632 3-Hexadecanone C16H32O 240.245315 NA MeJP NA NA +MJ013633 7-Hexadecen-1-ol C16H32O 240.245315 NA MeJP NA NA +MJ013634 9-Hexadecen-1-ol C16H32O 240.245315 NA MeJP NA NA +MJ013635 Hexadecanal C16H32O 240.245315 NA MeJP NA NA +HMDB01551 Palmitaldehyde C16H32O 240.245316 NA HMDB2010 NA NA +MetaCyc02195 palmitaldehyde [palmitoyl aldehyde;palmitaldehyde;hexadecanal;] C16H32O1 240.245316 629-80-1 metacyc NA NA +HMDB01551 Palmitaldehyde C16H32O 240.24532 http://www.hmdb.ca/metabolites/HMDB01551 HMDB NA NA +HMDB01551 Palmitaldehyde C16H32O 240.24532 HMDB01551 PFEM_hmdb_metabocards_official NA NA +C01816 Heptadecane C17H36 240.2817 NA KEGG NA NA +MJ013636 2,6,10-Trimethyltetradecane C17H36 240.281701 NA MeJP NA NA +MJ013637 3,6,10-Trimethyltetradecane C17H36 240.281701 NA MeJP NA NA +MJ013638 5,9-Dimethylpentadecane C17H36 240.281701 NA MeJP NA NA +MJ013639 Heptadecane C17H36 240.281701 NA MeJP NA NA +MetaCyc02196 heptadecane [] C17H36 240.281701 629-78-7 metacyc NA NA +3089 gluten B4 exorphin YGGW 240.592 MH2+ Inhouse_peptide NA peptide +7930 synthetic peptide HYY 240.592 MH2+ Inhouse_peptide NA peptide +7933 synthetic peptide YHY 240.592 MH2+ Inhouse_peptide NA peptide +7936 synthetic peptide YYH 240.592 MH2+ Inhouse_peptide NA peptide +3818 ileum contracting peptide PLPR 240.6445 MH2+ Inhouse_peptide NA peptide +MJ013640 Aquabislactatocopper(II) C6H10CuO6 240.977339 NA MeJP NA NA +MJ013641 Cassipoureamide B C6H11NO3S3 240.990105 NA MeJP NA NA +MJ013642 5-(2-Pyridinylsulfonyl)-2-thiazolamine C8H7N3O2S2 240.997967 NA MeJP NA NA +HMDB06512 3-Mercaptolactate-cysteine disulfide C6H11NO5S2 241.007858 NA HMDB2010 NA NA +HMDB06512 3-mercaptolactate-cysteine disulfide C6H11NO5S2 241.00786 http://www.hmdb.ca/metabolites/HMDB06512 HMDB NA NA +HMDB06512 3-mercaptolactate-cysteine disulfide C6H11NO5S2 241.00786 HMDB06512 PFEM_hmdb_metabocards_official NA NA +JH178 Glucosamine 6-phosphate [M+H-H20]+ NA 241.0346 1.21 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH178 Glucosamine 6-phosphate [M+H-H20]+ NA 241.0346 1.21 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH178 Glucosamine 6-phosphate [M+H-H20]+ NA 241.0346 1.21 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH178 Glucosamine 6-phosphate [M+H-H20]+ NA 241.0346 1.21 Inhousejuil11 NA NA +MJ013643 Tenosiprol C10H11NO4S 241.040878 NA MeJP NA NA +CJneg0448 Cinnamoylglycine [(M+Cl)]- C11H11ClNO3 241.051125 C18rt(min)=7.03 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0448 Cinnamoylglycine [(M+Cl)]- C11H11ClNO3 241.051125 C18rt(min)=7.03 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C04204 N-(2,3-Dihydroxybenzoyl)-L-serine C10H11NO6 241.0586 NA KEGG NA NA +MJ013644 2-Hydroxy-3-(3-hydroxy-4-nitrophenyl)propanoic acid, Me ester C10H11NO6 241.058637 NA MeJP NA NA +MJ013645 Enaminomycin B C10H11NO6 241.058637 NA MeJP NA NA +MetaCyc02197 N-23-dihydroxybenzoyl-L-serine [] C10H11N1O6 241.058637 NA metacyc NA NA +MetaCyc02198 2,3-dihydroxybenzoylserine [N-(2,3-dihydroxybenzoyl)-L-serine;2-(2,3-dihydroxybenzoyl)amino-3-hydroxy-propanoic acid;] C10H11N1O6 241.058637 NA metacyc NA NA +CJneg0449 ?-hydroxyhippuric acid [(M-H)+(HCOOH)]- C10H10NO6 241.059225 C18rt(min)=4.99 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0449 ?-hydroxyhippuric acid [(M-H)+(HCOOH)]- C10H10NO6 241.059225 C18rt(min)=4.99 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C07451 Moxonidine C9H12ClN5O 241.073 NA KEGG NA NA +MJ013646 Moxonidine C9H12ClN5O 241.073037 NA MeJP NA NA +MJ013647 1,3-Dihydroxyacridone; 10-Me C14H11NO3 241.073893 NA MeJP NA NA +MJ013648 1,3-Dihydroxyacridone; 3-Me ether C14H11NO3 241.073893 NA MeJP NA NA +MJ013649 1,7-Dihydroxy-9H-carbazole-3-carboxaldehyde; 1-Me ether C14H11NO3 241.073893 NA MeJP NA NA +MJ013650 1,7-Dihydroxyacridone; N-Me C14H11NO3 241.073893 NA MeJP NA NA +MJ013651 1,8-Dihydroxyacridone; N-Me C14H11NO3 241.073893 NA MeJP NA NA +MJ013652 1-Hydroxy-6-methoxy-9H-carbazole-3-carboxaldehyde C14H11NO3 241.073893 NA MeJP NA NA +MJ013653 1-Methoxy-9H-carbazole-3-carboxylic acid C14H11NO3 241.073893 NA MeJP NA NA +MJ013654 2,7-Dihydroxy-9H-carbazole-3-carboxaldehyde; 7-Me ether C14H11NO3 241.073893 NA MeJP NA NA +MJ013655 2,8-Dihydroxy-9H-carbazole-3-carboxaldehyde; 8-Me ether C14H11NO3 241.073893 NA MeJP NA NA +MJ013656 2-Benzamidobenzoic acid C14H11NO3 241.073893 NA MeJP NA NA +MJ013657 2-Hydroxy-9H-carbazole-3-carboxylic acid; Me ester C14H11NO3 241.073893 NA MeJP NA NA +MJ013658 3,7-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 3-Me ether C14H11NO3 241.073893 NA MeJP NA NA +MJ013659 5,6-Dihydro-1H,4H-acenaphtho[1,8a-c]pyrrole-1,3,10(2H,10aH)-trione C14H11NO3 241.073893 NA MeJP NA NA +MJ013660 6,7-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 6-Me ether C14H11NO3 241.073893 NA MeJP NA NA +MJ013661 7,8-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 7-Me ether C14H11NO3 241.073893 NA MeJP NA NA +MJ013662 7,8-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 8-Me ether C14H11NO3 241.073893 NA MeJP NA NA +MJ013663 7-Hydroxy-9H-carbazole-3-carboxylic acid; Me ester C14H11NO3 241.073893 NA MeJP NA NA +MJ013664 7-Hydroxy-9H-carbazole-3-carboxylic acid; Me ether C14H11NO3 241.073893 NA MeJP NA NA +MJ013665 8,9-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 8-Me ether C14H11NO3 241.073893 NA MeJP NA NA +MJ013666 8,9-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 9-Me ether C14H11NO3 241.073893 NA MeJP NA NA +MJ013667 Koeniginequinone A C14H11NO3 241.073893 NA MeJP NA NA +MJ013668 Lansine C14H11NO3 241.073893 NA MeJP NA NA +MetaCyc02199 N-Benzoylanthranilate [] C14H11N1O3 241.073893 579-93-1 metacyc NA NA +MetaCyc02200 1,3-dihydroxy-N-methylacridone [] C14H11N1O3 241.073893 NA metacyc NA NA +C03141 N-Benzoylanthranilate C14H11NO3 241.0739 NA KEGG NA NA +C12093 1,3-Dihydroxy-N-methylacridone C14H11NO3 241.0739 NA KEGG NA NA +C13630 7-Ethoxyresorufin C14H11NO3 241.0739 NA KEGG NA NA +C15268 trans-2-(4-Nitrophenyl)-3-phenyloxirane C14H11NO3 241.0739 NA KEGG NA NA +MJ013669 7-Methoxy-?-carboline-1-carboxylic acid; Amide C13H11N3O2 241.085126 NA MeJP NA NA +MJ013670 Dipodazine C13H11N3O2 241.085126 NA MeJP NA NA +MJ013671 Salinazid C13H11N3O2 241.085126 NA MeJP NA NA +CJneg0450 Pentose [(2M-H)-(C2H4O2)]- (13C) C713CH15O8 241.088425 C18rt(min)=0.95 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0450 Pentose [(2M-H)-(C2H4O2)]- (13C) C713CH15O8 241.088425 C18rt(min)=0.95 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ013672 O,O-Diethyl S-(2-dimethylaminoethyl) phosphorothioate C8H20NO3PS 241.09015 NA MeJP NA NA +CJpos0603 Pantothenic acid [(M+Na)]+ C9H17NNaO5 241.092075 C18rt(min)=4.77 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0603 Pantothenic acid [(M+Na)]+ C9H17NNaO5 241.092075 C18rt(min)=4.77 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +JH155 Pantothenic acid [M+Na]+ NA 241.0925 6.63 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH155 Pantothenic acid [M+Na]+ NA 241.0925 6.63 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH155 Pantothenic acid [M+Na]+ NA 241.0925 6.63 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH155 Pantothenic acid [M+Na]+ NA 241.0925 6.63 Inhousejuil11 NA NA +EUR342 pantothenic acid F2 F2 241.094875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR342 Acide pantothenique F2 NA 241.094875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR342 pantothenic acid F2 F2 241.094875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR342 Acide pantothenique F2 NA 241.094875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR342 pantothenic acid F2 F2 241.094875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR342 Acide pantothenique F2 NA 241.094875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR342 pantothenic acid F2 F2 241.094875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR342 pantothenic acid F2 F2 241.094875 standards wishlist analysés sur QTOF HMDB NA NA +EUR342 pantothenic acid F2 F2 241.094875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR342 Acide pantothenique F2 NA 241.094875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR342 pantothenic acid F2 F2 241.094875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR342 pantothenic acid F2 F2 241.094875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ013673 Guaifenesin, 1-Carbamate C11H15NO5 241.095022 NA MeJP NA NA +MJ013674 6-O-Benzylguanine C12H11N5O 241.096359 NA MeJP NA NA +MJ013675 Adenine; 6N-(3-Hydroxybenzyl) C12H11N5O 241.096359 NA MeJP NA NA +MJ013676 Peldesine C12H11N5O 241.096359 NA MeJP NA NA +MJ013677 Pelrinone C12H11N5O 241.096359 NA MeJP NA NA +MJ013678 2'-Deoxy-5-methylcytidine C10H15N3O4 241.106255 NA MeJP NA NA +MJ013679 2'-Deoxycytidine; 3N-Me C10H15N3O4 241.106255 NA MeJP NA NA +MJ013680 5'-Amino-5'-deoxythymidine C10H15N3O4 241.106255 NA MeJP NA NA +MJ013681 Carbodine C10H15N3O4 241.106255 NA MeJP NA NA +HMDB02224 5-Methyldeoxycytidine C10H15N3O4 241.10626 http://www.hmdb.ca/metabolites/HMDB02224 HMDB NA NA +HMDB02224 5-Methyldeoxycytidine C10H15N3O4 241.10626 HMDB02224 PFEM_hmdb_metabocards_official NA NA +HMDB02224 5-Methyldeoxycytidine C10H15N3O4 241.106262 NA HMDB2010 NA NA +C03592 5-Methyl-2'-deoxycytidine C10H15N3O4 241.1063 NA KEGG NA NA +MJ013682 1,2-Dimethyl-3,4-dihydroxycarbazole; 3-Me ether C15H15NO2 241.110278 NA MeJP NA NA +MJ013683 1,6-Dihydroxy-3-methyl-9H-carbazole; Di-Me ether C15H15NO2 241.110278 NA MeJP NA NA +MJ013684 1,7-Dihydroxy-6-methyl-9H-carbazole; Di-Me ether C15H15NO2 241.110278 NA MeJP NA NA +MJ013685 2,6-Dihydroxy-3-methyl-9H-carbazole; Di-Me ether C15H15NO2 241.110278 NA MeJP NA NA +MJ013686 2-Amino-1-phenylethanol, O-Benzoyl C15H15NO2 241.110278 NA MeJP NA NA +MJ013687 2-Amino-1-phenylethanol, N-Benzoyl C15H15NO2 241.110278 NA MeJP NA NA +MJ013688 2-Amino-1-phenylethanol, O-Benzoyl C15H15NO2 241.110278 NA MeJP NA NA +MJ013689 4-(2-Aminoethyl)phenol; N-Benzoyl C15H15NO2 241.110278 NA MeJP NA NA +MJ013690 5-Methoxy-2,2-dimethyl-2H-pyrano[2,3-b]quinoline C15H15NO2 241.110278 NA MeJP NA NA +MJ013691 Antibiotic TMC 120A C15H15NO2 241.110278 NA MeJP NA NA +MJ013692 Araliopsine, 1'-Deoxy, 1',2'-didehydro C15H15NO2 241.110278 NA MeJP NA NA +MJ013693 Enfenamic acid C15H15NO2 241.110278 NA MeJP NA NA +MJ013694 Flindersine; N-Me C15H15NO2 241.110278 NA MeJP NA NA +MJ013695 Glycocitlone A; 3'-Deoxy, 3',4'-didehydro, N-de-Me C15H15NO2 241.110278 NA MeJP NA NA +MJ013696 Mefenamic acid C15H15NO2 241.110278 NA MeJP NA NA +MJ013697 N-(1-Hydroxyethyl)benzanilide C15H15NO2 241.110278 NA MeJP NA NA +MJ013698 Nafoxadol C15H15NO2 241.110278 NA MeJP NA NA +MJ013699 Sediendione C15H15NO2 241.110278 NA MeJP NA NA +C02168 Mefenamic acid C15H15NO2 241.1103 NA KEGG NA NA +C10731 N-Methylflindersine C15H15NO2 241.1103 NA KEGG NA NA +C14902 6-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone C15H15NO2 241.1103 NA KEGG NA NA +MJ013700 Planchonelline C12H19NO2S 241.113649 NA MeJP NA NA +MJ013701 Tetrahydrobiopterin C9H15N5O3 241.117489 NA MeJP NA NA +MetaCyc02201 tetrahydrobiopterin [phenylalanine hydroxylase cofactor;5,6,7,8-erythro-tetrahydrobiopterin;5,6,7,8-tetrahydrobiopterin;5,6,7,8-tetra-H-biopterin;tetra-H-biopterin;tetra-hydro-biopterin;] C9H15N5O3 241.117489 17528-72-2 metacyc NA NA +HMDB00027 Tetrahydrobiopterin C9H15N5O3 241.11749 http://www.hmdb.ca/metabolites/HMDB00027 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00787 Sapropterin C9H15N5O3 241.11749 http://www.hmdb.ca/metabolites/HMDB00787 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00027 Tetrahydrobiopterin C9H15N5O3 241.11749 http://www.hmdb.ca/metabolites/HMDB00027 HMDB NA NA +HMDB00787 Sapropterin C9H15N5O3 241.11749 http://www.hmdb.ca/metabolites/HMDB00787 HMDB NA NA +HMDB00027 Tetrahydrobiopterin C9H15N5O3 241.11749 http://www.hmdb.ca/metabolites/HMDB00027 PFEM_hmdb_metabocards_blood NA blood +HMDB00787 Sapropterin C9H15N5O3 241.11749 http://www.hmdb.ca/metabolites/HMDB00787 PFEM_hmdb_metabocards_blood NA blood +HMDB00027 Tetrahydrobiopterin C9H15N5O3 241.11749 HMDB00027 PFEM_hmdb_metabocards_official NA NA +HMDB00787 Sapropterin C9H15N5O3 241.11749 HMDB00787 PFEM_hmdb_metabocards_official NA NA +HMDB00027 Tetrahydrobiopterin C9H15N5O3 241.117493 NA HMDB2010 NA NA +HMDB00787 Sapropterin C9H15N5O3 241.117493 NA HMDB2010 NA NA +C00272 Tetrahydrobiopterin C9H15N5O3 241.1175 NA KEGG NA NA +C04291 4-(Dimethylamino)phenylazoxybenzene C14H15N3O 241.1215 NA KEGG NA NA +C04292 5'-Phosphonucleoside 3'-diphosphate C5H12O13P3R 241.1215 NA KEGG NA NA +C13675 CX-516 C14H15N3O 241.1215 NA KEGG NA NA +MJ013702 1-(6-Quinoxalinylcarbonyl)piperidine C14H15N3O 241.121512 NA MeJP NA NA +MJ013703 N?-Cinnamoylhistamine C14H15N3O 241.121512 NA MeJP NA NA +MetaCyc02202 4-(dimethylamino)phenylazoxybenzene [] C14H15N3O1 241.121512 NA metacyc NA NA +HMDB12227 Erythrohydrobupropion C13H20ClNO 241.123337 NA HMDB2010 NA NA +MetaCyc02203 threohydrobupropion [] C13H20N1O1CL1 241.123342 NA metacyc NA NA +MetaCyc02204 erythrohydrobupropion [] C13H20N1O1CL1 241.123342 NA metacyc NA NA +3041 inhibitor of fibrinogen and thrombin coagulation GPRGP 241.1235 MH2+ Inhouse_peptide NA peptide +C11841 N-(3-Oxooctanoyl)homoserine lactone C12H19NO4 241.1314 NA KEGG NA NA +MJ013704 2-Hydroxybenzoic acid; Choline ester C12H19NO4 241.131408 NA MeJP NA NA +MJ013705 Parvistemoamide C12H19NO4 241.131408 NA MeJP NA NA +MJ013706 2,4-Undecadiene-8,10-diynoic acid, Piperidide C16H19NO 241.146664 NA MeJP NA NA +MJ013707 2-Heptyl-4-hydroxyquinoline; 1',2'-Didehydro C16H19NO 241.146664 NA MeJP NA NA +MJ013708 2-Heptyl-4-hydroxyquinoline; 4',5'-Didehydro C16H19NO 241.146664 NA MeJP NA NA +MJ013709 Litoxetine C16H19NO 241.146664 NA MeJP NA NA +MJ013710 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(3-Methylbutanoyl) C13H23NO3 241.167793 NA MeJP NA NA +C10869 Valeroidine C13H23NO3 241.1678 NA KEGG NA NA +MJ013711 Mantella Alkaloid 241F C17H23N 241.183049 NA MeJP NA NA +C11788 N-Methyl morphinan C17H23N 241.1831 NA KEGG NA NA +MJ013712 8,10-Diethyllobelidiol; 3,4-Didehydro C14H27NO2 241.204179 NA MeJP NA NA +MJ013713 8,10-Diethyllobelidiol; Monoketone C14H27NO2 241.204179 NA MeJP NA NA +MJ013714 4-Hydroxy-2-methyl-6-nonylpiperidine C15H31NO 241.240564 NA MeJP NA NA +MJ013715 6-Tridecylamine, N-Ac C15H31NO 241.240564 NA MeJP NA NA +MJ013716 Octapinol C15H31NO 241.240564 NA MeJP NA NA +MJ013717 1-Hexadecylamine C16H35N 241.27695 NA MeJP NA NA +HMDB04118 Antimony Sb2 241.80763 http://www.hmdb.ca/metabolites/HMDB04118 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04118 Antimony Sb2 241.80763 http://www.hmdb.ca/metabolites/HMDB04118 HMDB NA NA +HMDB04118 Antimony Sb2 241.80763 http://www.hmdb.ca/metabolites/HMDB04118 PFEM_hmdb_metabocards_blood NA blood +HMDB04118 Antimony Sb2 241.80763 HMDB04118 PFEM_hmdb_metabocards_official NA NA +MJ013718 Dixanthogen C6H10O2S4 241.956362 NA MeJP NA NA +MJ013719 5-Bromo-4,7-dihydroxy-1-indanone C9H7BrO3 241.957856 NA MeJP NA NA +MJ013720 Aldisin; 2-Bromo C8H7BrN2O2 241.96909 NA MeJP NA NA +C17389 Zinc lactate C6H10O6Zn 241.9769 NA KEGG NA NA +C17390 Polybutene C6H10O6Zn 241.9769 NA KEGG NA NA +MJ013721 3-[5-(2-Thienylethynyl)-2-thienyl]-2-propyn-1-ol; Aldehyde C13H6OS2 241.986006 NA MeJP NA NA +MetaCyc02205 2,3-diketo-5-methylthio-1-phosphopentane [DKM-1-P;1-phospho-2,3-diketo-5-methylthiopentane;1-phosphoryloxy-2,3-diketo-5-methylthiopentane;] C6H11O6P1S1 242.001395 NA metacyc NA NA +MetaCyc02206 2-hydroxy-3-keto-5-methylthio-1-phosphopentene [1-phosphoryloxyl-2-hydroxy-3-keto-5-methylthiopentene;] C6H11O6P1S1 242.001395 NA metacyc NA NA +C15650 2,3-Diketo-5-methylthiopentyl-1-phosphate C6H11O6PS 242.0014 NA KEGG NA NA +C15651 2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate C6H11O6PS 242.0014 NA KEGG NA NA +MJ013722 Aureothricin C9H10N2O2S2 242.018368 NA MeJP NA NA +HMDB01125 Inositol cyclic phosphate C6H11O8P 242.01915 http://www.hmdb.ca/metabolites/HMDB01125 HMDB NA NA +HMDB01125 Inositol cyclic phosphate C6H11O8P 242.01915 HMDB01125 PFEM_hmdb_metabocards_official NA NA +HMDB01125 Inositol cyclic phosphate C6H11O8P 242.01915 NA HMDB2010 NA NA +MetaCyc02207 D-myo-inositol 1,2-cyclic phosphate [1D-myo-inositol 1,2-cyclic phosphate;] C6H11O8P1 242.019154 43119-57-9 metacyc NA NA +C04299 D-myo-Inositol 1,2-cyclic phosphate C6H11O8P 242.0192 NA KEGG NA NA +C16848 6-Deoxy-5-ketofructose 1-phosphate C6H11O8P 242.0192 NA KEGG NA NA +C14081 CBS 113A C10H10N2OS 242.0281 NA KEGG NA NA +C04111 3-(Phosphoacetylamido)-L-alanine C5H11N2O7P 242.0304 NA KEGG NA NA +MJ013723 Mitozolomide C7H7ClN6O2 242.031901 NA MeJP NA NA +MJ013724 3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, 4?-Chloro, 6-Me ether C11H11ClO4 242.034586 NA MeJP NA NA +MJ013725 5-Chloro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one; 3,4-Dihydro, 6-Me ether C11H11ClO4 242.034586 NA MeJP NA NA +MJ013726 7-Chloro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one; 3,4-Dihydro, 6-Me ether C11H11ClO4 242.034586 NA MeJP NA NA +HMDB06907 2-Acyl-sn-glycero-3-phosphoethanolamine C6H13NO7P 242.04295 http://www.hmdb.ca/metabolites/HMDB06907 HMDB NA NA +HMDB06908 1-Acyl-sn-glycero-3-phosphoethanolamine C6H13NO7P 242.04295 http://www.hmdb.ca/metabolites/HMDB06908 HMDB NA NA +HMDB06907 2-Acyl-sn-glycero-3-phosphoethanolamine C6H13NO7P 242.04295 HMDB06907 PFEM_hmdb_metabocards_official NA NA +HMDB06908 1-Acyl-sn-glycero-3-phosphoethanolamine C6H13NO7P 242.04295 HMDB06908 PFEM_hmdb_metabocards_official NA NA +C14585 4-Chlorochalcone C15H11ClO 242.0498 NA KEGG NA NA +MJ013727 2'-Deoxyuridine; 5'-Carboxylic acid C9H10N2O6 242.053886 NA MeJP NA NA +C06855 Bretylium C11H17BrN 242.0544 NA KEGG NA NA +CJneg0451 Cinnamoylglycine [(M+Cl)]- (13C) C1013CH11ClNO3 242.054525 C18rt(min)=7.03 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0451 Cinnamoylglycine [(M+Cl)]- (13C) C1013CH11ClNO3 242.054525 C18rt(min)=7.03 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ013728 Isobutyropyrrothine C10H14N2OS2 242.054754 NA MeJP NA NA +C10322 Cyperaquinone C14H10O4 242.0579 NA KEGG NA NA +C11425 2-Hydroxy-2H-benzo[h]chromene-2-carboxylate C14H10O4 242.0579 NA KEGG NA NA +C11426 cis-4-(1'-Hydroxynaphth-2'-yl)-2-oxobut-3-enoate C14H10O4 242.0579 NA KEGG NA NA +C16209 3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid C14H10O4 242.0579 NA KEGG NA NA +C16210 4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid C14H10O4 242.0579 NA KEGG NA NA +FLII1ANS0002 6,2'4'-Trihydroxy-2-phenylbenzofuran;2-(2,4-Dihydroxyphenyl)-6-hydroxybenzofuran C14H10O4 242.0579 67736-22-5 knapsack NA NA +MJ013729 1,2-Dihydroxyxanthone; 1-Me ether C14H10O4 242.057908 NA MeJP NA NA +MJ013730 1,2-Dihydroxyxanthone; 2-Me ether C14H10O4 242.057908 NA MeJP NA NA +MJ013731 1,5-Dihydroxyxanthone; 1-Me ether C14H10O4 242.057908 NA MeJP NA NA +MJ013732 1,5-Dihydroxyxanthone; 5-Me ether C14H10O4 242.057908 NA MeJP NA NA +MJ013733 1,7-Dihydroxy-3-methylxanthone C14H10O4 242.057908 NA MeJP NA NA +MJ013734 1,7-Dihydroxyxanthone; 1-Me ether C14H10O4 242.057908 NA MeJP NA NA +MJ013735 1,7-Dihydroxyxanthone; 7-Me ether C14H10O4 242.057908 NA MeJP NA NA +MJ013736 2,3-Dihydroxyxanthone; 2-Me ether C14H10O4 242.057908 NA MeJP NA NA +MJ013737 2,3-Dihydroxyxanthone; 3-Me ether C14H10O4 242.057908 NA MeJP NA NA +MJ013738 2,4,5,6-Phenanthrenetetrol C14H10O4 242.057908 NA MeJP NA NA +MJ013739 2,4,5-Trihydroxy-9H-fluoren-9-one; 4-Me ether C14H10O4 242.057908 NA MeJP NA NA +MJ013740 2,5-Dihydroxyxanthone; 2-Me ether C14H10O4 242.057908 NA MeJP NA NA +MJ013741 2,5-Dihydroxyxanthone; 5-Me ether C14H10O4 242.057908 NA MeJP NA NA +MJ013742 2-(2,4-Dihydroxyphenyl)-6-hydroxybenzofuran C14H10O4 242.057908 NA MeJP NA NA +MJ013743 2-(3,5-Dihydroxyphenyl)-6-hydroxybenzofuran C14H10O4 242.057908 NA MeJP NA NA +MJ013744 2-Acetylnaphtho[2,3-b]furan-4,9-dione; 1'-Alcohol C14H10O4 242.057908 NA MeJP NA NA +MJ013745 2-Ethylnaphtho[2,3-b]furan-4,9-dione; 5-Hydroxy C14H10O4 242.057908 NA MeJP NA NA +MJ013746 3,4-Dihydroxyxanthone; 4-Me ether C14H10O4 242.057908 NA MeJP NA NA +MJ013747 3-Hydroxy-2-methyl-2H-naphtho[2,3-b]pyran-5,10-dione C14H10O4 242.057908 NA MeJP NA NA +MJ013748 4,4',5-Trihydroxy-2-biphenylcarboxaldehyde; 4,5-Methylene ether C14H10O4 242.057908 NA MeJP NA NA +MJ013749 4,5-Dihydro-4-hydroxy-5-(9-hydroxy-1,3,5,7-decatetraynyl)-2(3H)-furanone C14H10O4 242.057908 NA MeJP NA NA +MJ013750 6-(3,4-Methylenedioxystyryl)-?-pyrone C14H10O4 242.057908 NA MeJP NA NA +MJ013751 Autumnariol C14H10O4 242.057908 NA MeJP NA NA +MJ013752 Cyperaquinone C14H10O4 242.057908 NA MeJP NA NA +MJ013753 Dibenzoyl peroxide C14H10O4 242.057908 NA MeJP NA NA +MJ013754 Furomollugin C14H10O4 242.057908 NA MeJP NA NA +MJ013755 Maturone C14H10O4 242.057908 NA MeJP NA NA +MJ013756 Microminutinin C14H10O4 242.057908 NA MeJP NA NA +MJ013757 Pterophyllin 4 C14H10O4 242.057908 NA MeJP NA NA +MJ013758 Saxicolon C14H10O4 242.057908 NA MeJP NA NA +MJ013759 Citreothiopyran B C11H14O4S 242.061279 NA MeJP NA NA +CJneg0452 ?-hydroxyhippuric acid [(M-H)+(HCOOH)]- (13C) C913CH10NO6 242.062525 C18rt(min)=4.99 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0452 ?-hydroxyhippuric acid [(M-H)+(HCOOH)]- (13C) C913CH10NO6 242.062525 C18rt(min)=4.99 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0454 Threonic acid / Erythronic acid [(2M-H)-(CH2O)]- C7H13O9 242.064325 C18rt(min)=0.85 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0454 Threonic acid / Erythronic acid [(2M-H)-(CH2O)]- C7H13O9 242.064325 C18rt(min)=0.85 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ013760 2,2-Bis(ethylsulfonyl)butane C8H18O4S2 242.06465 NA MeJP NA NA +MJ013761 Nidroxyzone C8H10N4O5 242.065119 NA MeJP NA NA +CJneg0453 1,7-dimethyluric acid [(M-H)+(HCOOH)]- C8H9N4O5 242.065625 C18rt(min)=4.96 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0453 1,7-dimethyluric acid [(M-H)+(HCOOH)]- C8H9N4O5 242.065625 C18rt(min)=4.96 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ013762 5-Phosphonooxy-L-lysine C6H15N2O6P 242.066772 NA MeJP NA NA +MJ013763 Threonine ethanolamine phosphate C6H15N2O6P 242.066772 NA MeJP NA NA +MetaCyc02208 5-phosphonooxy-L-lysine [] C6H15N2O6P1 242.066773 NA metacyc NA NA +C03366 5-Phosphonooxy-L-lysine C6H15N2O6P 242.0668 NA KEGG NA NA +C03828 2-Deoxystreptamine phospahte C6H15N2O6P 242.0668 NA KEGG NA NA +C03980 2-Deoxystreptamine 4-phosphate C6H15N2O6P 242.0668 NA KEGG NA NA +C16743 Phosphoallohydroxy-L-lysine C6H15N2O6P 242.0668 NA KEGG NA NA +MJ013764 Clofibric acid; Et ester C12H15ClO3 242.070972 NA MeJP NA NA +MJ013765 Ligustilide; 6,7-Dihydro, 6S-hydroxy, 7?-chloro C12H15ClO3 242.070972 NA MeJP NA NA +C06916 Clofibrate C12H15ClO3 242.071 NA KEGG NA NA +MJ013766 Lidimycin C10H14N2O3S 242.072513 NA MeJP NA NA +MJ013767 1,3-Dihydro-4,5,6-trihydroxy-7-methyl-1,3-dimethoxyisobenzofuran C11H14O6 242.079038 NA MeJP NA NA +MJ013768 2,3,4,5-Tetrahydroxybenzoic acid; Tetra-Me ether C11H14O6 242.079038 NA MeJP NA NA +MJ013769 2,3,5,6-Tetrahydroxybenzoic acid; Tetra-Me ether C11H14O6 242.079038 NA MeJP NA NA +MJ013770 4,5,6-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one, 1'-O-(2-Butenoyl) C11H14O6 242.079038 NA MeJP NA NA +MJ013771 Butalactin C11H14O6 242.079038 NA MeJP NA NA +MJ013772 Dihydro-3-hydroxy-4-(hydroxymethyl)-2(3H)-furanone, 5-O-(4,5-Epoxy-2-hexenoyl)(E-) C11H14O6 242.079038 NA MeJP NA NA +MJ013773 Elenaic acid C11H14O6 242.079038 NA MeJP NA NA +MJ013774 Genipinic acid C11H14O6 242.079038 NA MeJP NA NA +MJ013775 Gloiosiphone A C11H14O6 242.079038 NA MeJP NA NA +MJ013776 Kingiside; Aglycone C11H14O6 242.079038 NA MeJP NA NA +MJ013777 Lamiophlomiol A C11H14O6 242.079038 NA MeJP NA NA +MJ013778 Multicolic acid C11H14O6 242.079038 NA MeJP NA NA +MJ013779 Scandoside; Aglycone, 6-epimer, Me ester C11H14O6 242.079038 NA MeJP NA NA +MJ013780 Scytolide; 3?,10-Dihydro, 8-epimer C11H14O6 242.079038 NA MeJP NA NA +MJ013781 Zhijiangjunsu C11H14O6 242.079038 NA MeJP NA NA +MJ013782 ?-Gardiol C11H14O6 242.079038 NA MeJP NA NA +MJ013783 7,8-Dimethylbenzo[g]pteridine-2,4(1H,3H)-dione C12H10N4O2 242.080375 NA MeJP NA NA +MJ013784 Lumichrome C12H10N4O2 242.080375 NA MeJP NA NA +MetaCyc02209 lumichrome [7,8-Dimethylalloxazine;] C12H10N4O2 242.080376 1086-80-2 metacyc NA NA +C01727 Lumichrome C12H10N4O2 242.0804 NA KEGG NA NA +MJ013785 3-Amino-4-chlorobenzoic acid; 2-(Dimethylamino)ethyl ester C11H15ClN2O2 242.082205 NA MeJP NA NA +MJ013786 Iproclozide C11H15ClN2O2 242.082205 NA MeJP NA NA +EUR446 Flavine Mononucleotide F4 F4 242.084275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR446 Flavine Mononucleotide F4 NA 242.084275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR446 Flavine Mononucleotide F4 F4 242.084275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR446 Flavine Mononucleotide F4 NA 242.084275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR446 Flavine Mononucleotide F4 F4 242.084275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR446 Flavine Mononucleotide F4 NA 242.084275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR446 Flavine Mononucleotide F4 F4 242.084275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR446 Flavine Mononucléotide F4 F4 242.084275 standards wishlist analysés sur QTOF HMDB NA NA +EUR446 Flavine Mononucleotide F4 F4 242.084275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR446 Flavine Mononucleotide F4 NA 242.084275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR446 Flavine Mononucleotide F4 F4 242.084275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR446 Flavine Mononucleotide F4 F4 242.084275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ013787 2-(5-Aminopentylamino)ethanethiol; S-Phosphate C7H19N2O3PS 242.085399 NA MeJP NA NA +CJpos0604 Thymidine [M+H]+ C10H15O5N2 242.089775 C18rt(min)=1.17 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0604 Thymidine [M+H]+ C10H15O5N2 242.089775 C18rt(min)=1.17 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB00273 Thymidine C10H14N2O5 242.09027 http://www.hmdb.ca/metabolites/HMDB00273 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00273 Thymidine C10H14N2O5 242.09027 http://www.hmdb.ca/metabolites/HMDB00273 HMDB NA NA +HMDB00273 Thymidine C10H14N2O5 242.09027 http://www.hmdb.ca/metabolites/HMDB00273 PFEM_hmdb_metabocards_blood NA blood +HMDB00273 Thymidine C10H14N2O5 242.09027 HMDB00273 PFEM_hmdb_metabocards_official NA NA +HMDB00273 Thymidine C10H14N2O5 242.090271 NA HMDB2010 NA NA +MJ013788 2'-Deoxyuridine; N-Me C10H14N2O5 242.090271 NA MeJP NA NA +MJ013789 Asterionellin A C10H14N2O5 242.090271 NA MeJP NA NA +MJ013790 Thymidine C10H14N2O5 242.090271 NA MeJP NA NA +MetaCyc02210 thymidine [deoxythymidine;] C10H14N2O5 242.090272 50-89-5 metacyc NA NA +C00214 Thymidine C10H14N2O5 242.0903 NA KEGG NA NA +C00215 Nucleotide C10H14N2O5 242.0903 NA KEGG NA NA +MJ013791 Pedatisectine A C11H10N6O 242.091608 NA MeJP NA NA +HMDB02209 Equol C15H14O3 242.09428 http://www.hmdb.ca/metabolites/HMDB02209 PFEM_hmdb_metabocards_urine NA urine +HMDB02209 Equol C15H14O3 242.09428 http://www.hmdb.ca/metabolites/HMDB02209 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02209 Equol C15H14O3 242.09428 http://www.hmdb.ca/metabolites/HMDB02209 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02209 Equol C15H14O3 242.09428 http://www.hmdb.ca/metabolites/HMDB02209 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02209 Equol C15H14O3 242.09428 http://www.hmdb.ca/metabolites/HMDB02209 HMDB NA NA +HMDB02209 Equol C15H14O3 242.09428 http://www.hmdb.ca/metabolites/HMDB02209 PFEM_hmdb_metabocards_blood NA blood +HMDB02209 Equol C15H14O3 242.09428 HMDB02209 PFEM_hmdb_metabocards_official NA NA +FL1D19NS0001 2',4'-Dihydroxydihydrochalcone C15H14O3 242.09429 53596-71-7 knapsack NA NA +FL6F1ANS0002 7,4'-Dihydroxyflavan;Cassiaflavan C15H14O3 242.09429 494-48-4 knapsack NA NA +FL6F1ANS0004 Tupichinol C;(R)-3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol C15H14O3 242.09429 118204-66-3 knapsack NA NA +FLIC1ANS0001 Equol;7,4'-Dihydroxyisoflavan C15H14O3 242.09429 94105-90-5 knapsack NA NA +MJ013792 1-(2,4-Dihydroxyphenyl)-3-phenyl-1-propanone C15H14O3 242.094294 NA MeJP NA NA +MJ013793 1-(2,6-Dihydroxyphenyl)-3-phenyl-1-propanone C15H14O3 242.094294 NA MeJP NA NA +MJ013794 1-(3,4-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethylene, 3'-Me ether C15H14O3 242.094294 NA MeJP NA NA +MJ013795 1-(3,5-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethylene; 3-Me ether C15H14O3 242.094294 NA MeJP NA NA +MJ013796 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-Me ether C15H14O3 242.094294 NA MeJP NA NA +MJ013797 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 4'-Me ether C15H14O3 242.094294 NA MeJP NA NA +MJ013798 1-Phenyl-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Methylene ether C15H14O3 242.094294 NA MeJP NA NA +MJ013799 1-Phenyl-2-(3,4,5-trihydroxyphenyl)ethylene; 3-Me ether C15H14O3 242.094294 NA MeJP NA NA +MJ013800 2',6'-Dihydroxyacetophenone; 2-O-Benzyl C15H14O3 242.094294 NA MeJP NA NA +MJ013801 2,3-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-3-methylbenzofuran C15H14O3 242.094294 NA MeJP NA NA +MJ013802 2,3-Dihydroxy-1,3-diphenyl-1-propanone C15H14O3 242.094294 NA MeJP NA NA +MJ013803 2,4,6-Phenanthrenetriol; 9,10-Dihydro, 2-Me ether C15H14O3 242.094294 NA MeJP NA NA +MJ013804 2,4,7-Phenanthrenetriol; 9,10-Dihydro, 2-Me ether C15H14O3 242.094294 NA MeJP NA NA +MJ013805 2,4,7-Phenanthrenetriol; 9,10-Dihydro, 4-Me ether C15H14O3 242.094294 NA MeJP NA NA +MJ013806 2,5,6-Phenanthrenetriol; 9,10-Dihydro, 6-Me ether C15H14O3 242.094294 NA MeJP NA NA +MJ013807 2-(3-Phenoxyphenyl)propanoic acid C15H14O3 242.094294 NA MeJP NA NA +MJ013808 2-Hydroxy-1-(2-hydroxyphenyl)-3-phenyl-1-propanone C15H14O3 242.094294 NA MeJP NA NA +MJ013809 2-Hydroxy-3-prenylnaphthoquinone C15H14O3 242.094294 NA MeJP NA NA +MJ013810 2-Hydroxy-4-methoxy-4'-methylbenzophenone C15H14O3 242.094294 NA MeJP NA NA +MJ013811 2-Methoxybenzoic acid; Benzyl ester C15H14O3 242.094294 NA MeJP NA NA +MJ013812 2-Oxo-1(10),3,5,7(11)-guaiatetraen-12,8-olide C15H14O3 242.094294 NA MeJP NA NA +MJ013813 2-Prenyl-1,4-naphthoquinone; ?1',2'-Isomer (E-), 3'-hydroxy C15H14O3 242.094294 NA MeJP NA NA +MJ013814 3',7-Dihydroxyisoflavan C15H14O3 242.094294 NA MeJP NA NA +MJ013815 3,11-Tridecadiene-5,7,9-triyne-1,2-diol, 1-Ac C15H14O3 242.094294 NA MeJP NA NA +MJ013816 3,11-Tridecadiene-5,7,9-triyne-1,2-diol, 2-Ac C15H14O3 242.094294 NA MeJP NA NA +MJ013817 3,4,5-Phenanthrenetriol; 9,10-Dihydro, 3-Me ether C15H14O3 242.094294 NA MeJP NA NA +MJ013818 3,5-Tridecadiene-7,9,11-triyne-1,2-diol, 1-Ac C15H14O3 242.094294 NA MeJP NA NA +MJ013819 3,5-Tridecadiene-7,9,11-triyne-1,2-diol, 2-Ac C15H14O3 242.094294 NA MeJP NA NA +MJ013820 4',7-Dihydroxyflavan C15H14O3 242.094294 NA MeJP NA NA +MJ013821 4',7-Dihydroxyisoflavan C15H14O3 242.094294 NA MeJP NA NA +MJ013822 5'-(2-Propenyl)-2,2',5-biphenyltriol C15H14O3 242.094294 NA MeJP NA NA +MJ013823 9,10-Dihydro-2,4,5-trihydroxyphenanthrene; 4-Me ether C15H14O3 242.094294 NA MeJP NA NA +MJ013824 ?-Lapachone C15H14O3 242.094294 NA MeJP NA NA +MJ013825 Bothrioclinin C15H14O3 242.094294 NA MeJP NA NA +MJ013826 Cacalonol C15H14O3 242.094294 NA MeJP NA NA +MJ013827 Cannabispiradienone C15H14O3 242.094294 NA MeJP NA NA +MJ013828 Citrubuntin C15H14O3 242.094294 NA MeJP NA NA +MJ013829 Cyclolongipesin C15H14O3 242.094294 NA MeJP NA NA +MJ013830 Dehydroosthol C15H14O3 242.094294 NA MeJP NA NA +MJ013831 Dunnione C15H14O3 242.094294 NA MeJP NA NA +MJ013832 Frutescin C15H14O3 242.094294 NA MeJP NA NA +MJ013833 Mansonone D C15H14O3 242.094294 NA MeJP NA NA +MJ013834 Mansonone F; 11,12-Dihydro C15H14O3 242.094294 NA MeJP NA NA +MJ013835 Pterophyllin 1 C15H14O3 242.094294 NA MeJP NA NA +MJ013836 Rhinacanthone C15H14O3 242.094294 NA MeJP NA NA +MJ013837 Salpriolactone C15H14O3 242.094294 NA MeJP NA NA +MJ013838 Sapriolactone C15H14O3 242.094294 NA MeJP NA NA +MJ013839 Viteralone C15H14O3 242.094294 NA MeJP NA NA +MJ013840 Xanthorrhoeol C15H14O3 242.094294 NA MeJP NA NA +MJ013841 ?-Dunnione C15H14O3 242.094294 NA MeJP NA NA +MJ013842 ?-Lapachone C15H14O3 242.094294 NA MeJP NA NA +HMDB02209 Equol C15H14O3 242.094299 NA HMDB2010 NA NA +C06997 Fenoprofen C15H14O3 242.0943 NA KEGG NA NA +C06998 Transferred to D00320 C15H14O3 242.0943 NA KEGG NA NA +C09641 7,4'-Dihydroxyflavan C15H14O3 242.0943 NA KEGG NA NA +C10257 4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene C15H14O3 242.0943 NA KEGG NA NA +C10261 Hircinol C15H14O3 242.0943 NA KEGG NA NA +C10337 Dunnione C15H14O3 242.0943 NA KEGG NA NA +C10366 Lapachol C15H14O3 242.0943 NA KEGG NA NA +C10367 beta-Lapachone C15H14O3 242.0943 NA KEGG NA NA +C13628 4,5-Bisphenol-o-quinone C15H14O3 242.0943 NA KEGG NA NA +C14131 Equol C15H14O3 242.0943 NA KEGG NA NA +MJ013843 D-erythro-D-galacto-Octitol C8H18O8 242.100167 NA MeJP NA NA +PJ000078 SH C9H14N4O4 242.1015 NA PeJP NA NA +MJ013844 Antibiotic WF 20714 C9H14N4O4 242.101504 NA MeJP NA NA +MJ013845 Cytaramin C9H14N4O4 242.101504 NA MeJP NA NA +MJ013846 Molsidomine C9H14N4O4 242.101504 NA MeJP NA NA +MJ013847 1-(2-Hydroxyethyl)-4-methoxy-?-carboline C14H14N2O2 242.105527 NA MeJP NA NA +MJ013848 2-Amino-1-phenylethanol, N-(3-Pyridinecarbonyl) C14H14N2O2 242.105527 NA MeJP NA NA +MJ013849 2-Amino-3-pyridinecarboxylic acid; N-(2,3-Dimethylphenyl) C14H14N2O2 242.105527 NA MeJP NA NA +MJ013850 4,8-Dihydroxy-1-vinyl-?-carboline; 1',2'-Dihydro, 4-Me ether C14H14N2O2 242.105527 NA MeJP NA NA +MJ013851 6,7-Dihydroxy-1-methyl-?-carboline; Di-Me ether C14H14N2O2 242.105527 NA MeJP NA NA +MJ013852 Arenarine B C14H14N2O2 242.105527 NA MeJP NA NA +MJ013853 Isonixin C14H14N2O2 242.105527 NA MeJP NA NA +MJ013854 1-Hydroxy-3-(2-methylpropyl)-6-[2-(methylthio)ethyl]-2(1H)-pyrazinone C11H18N2O2S 242.108898 NA MeJP NA NA +MJ013855 1-Hydroxy-6-(2-methylpropyl)-3-[2-(methylthio)ethyl]-2(1H)-pyrazinone C11H18N2O2S 242.108898 NA MeJP NA NA +MJ013856 6-tert-Butyl-1-hydroxy-3-[2-(methylthio)ethyl]-2(1H)-pyrazinone C11H18N2O2S 242.108898 NA MeJP NA NA +MJ013857 Thiopental C11H18N2O2S 242.108898 NA MeJP NA NA +C07521 Thiopental C11H18N2O2S 242.1089 NA KEGG NA NA +MJ013858 Enofelast C16H15FO 242.110693 NA MeJP NA NA +MJ013859 1,2,4-Trimethoxy-5-(1-propenyl)benzene, 1',2'-Dihydro, 1',2'-dihydroxy C12H18O5 242.115423 NA MeJP NA NA +MJ013860 1,7-Dihydroxy-3,7-dimethyl-2,5-octadien-4-one, 7-Hydroxyperoxy, 1-Ac C12H18O5 242.115423 NA MeJP NA NA +MJ013861 1-(2,4,5-Trihydroxyphenyl)-1,2-propanediol; 2',4',5'-Tri-Me ether C12H18O5 242.115423 NA MeJP NA NA +MJ013862 3,5,7-Trihydroxy-p-menth-1-en-6-one, 3-Ac C12H18O5 242.115423 NA MeJP NA NA +MJ013863 3-(3,4,5-Trihydroxyphenyl)-1,2-propanediol; 3',4',5'-Tri-Me ether C12H18O5 242.115423 NA MeJP NA NA +MJ013864 3-Butyl-4,5,6,7-tetrahydro-3,6,7-trihydroxy-1(3H)-isobenzofuranone C12H18O5 242.115423 NA MeJP NA NA +MJ013865 8-Hydroxy-2,7-dimethyl-2,4-decadienedioic acid C12H18O5 242.115423 NA MeJP NA NA +MJ013866 Agistatin A C12H18O5 242.115423 NA MeJP NA NA +MJ013867 Antibiotic SEN 366F C12H18O5 242.115423 NA MeJP NA NA +MJ013868 Isosaturejol; 6-Ac C12H18O5 242.115423 NA MeJP NA NA +MJ013869 Mussaenin B C12H18O5 242.115423 NA MeJP NA NA +MJ013870 Pavonisol C12H18O5 242.115423 NA MeJP NA NA +MJ013871 Saturejol; 6-Ac C12H18O5 242.115423 NA MeJP NA NA +C11232 Diphenylcarbazide C13H14N4O 242.1168 NA KEGG NA NA +MJ013872 2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; 1,3-Di-Me C12H14N6 242.127994 NA MeJP NA NA +MJ013873 2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; N2,N8-Di-Me C12H14N6 242.127994 NA MeJP NA NA +MJ013874 2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; N8,1-Di-Me C12H14N6 242.127994 NA MeJP NA NA +MJ013875 2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; N8,N8-Di-Me C12H14N6 242.127994 NA MeJP NA NA +MJ013876 Paragracine; N2-De-Me C12H14N6 242.127994 NA MeJP NA NA +MJ013877 Pseudozoanthoxin A; 3,N6-Di-Me C12H14N6 242.127994 NA MeJP NA NA +MJ013878 Pseudozoanthoxin A; N6,N6-Di-Me C12H14N6 242.127994 NA MeJP NA NA +MJ013879 1,4-Diphenyl-2,3-butanediol C16H18O2 242.130679 NA MeJP NA NA +MJ013880 1-(3,5-Dihydroxyphenyl)-2-phenylethane; Di-Me ether C16H18O2 242.130679 NA MeJP NA NA +MJ013881 1-(3-Hydroxyphenyl)-2-(4-hydroxyphenyl)ethane; Di-Me ether C16H18O2 242.130679 NA MeJP NA NA +MJ013882 15-Cadalenol; Carboxylic acid, Me ester C16H18O2 242.130679 NA MeJP NA NA +MJ013883 16-Hydroxy-2,8,10-hexadecatriene-4,6-diynal C16H18O2 242.130679 NA MeJP NA NA +MJ013884 2-Ethyl-2-(1-naphalenyl)butanoic acid C16H18O2 242.130679 NA MeJP NA NA +MJ013885 2-Methyl-2-(4-methyl-1,3-pentadienyl)-2H-1-benzopyran-6-ol C16H18O2 242.130679 NA MeJP NA NA +MJ013886 4,6,12-Tetradecatriene-8,10-diyn-1-ol, Ac C16H18O2 242.130679 NA MeJP NA NA +MJ013887 5-Tetradecene-8,10,12-triyn-1-ol, Ac C16H18O2 242.130679 NA MeJP NA NA +MJ013888 6-Tetradecene-8,10,12-triyn-3-ol; (+)-E-form, Ac C16H18O2 242.130679 NA MeJP NA NA +MJ013889 Cordiachrome A C16H18O2 242.130679 NA MeJP NA NA +MJ013890 Cordiachrome B C16H18O2 242.130679 NA MeJP NA NA +MJ013891 Cordiachrome C C16H18O2 242.130679 NA MeJP NA NA +MJ013892 Culpin C16H18O2 242.130679 NA MeJP NA NA +MJ013893 Demethylcacalohastine; Me ether C16H18O2 242.130679 NA MeJP NA NA +MJ013894 Lapachenol; 3,4-Dihydro C16H18O2 242.130679 NA MeJP NA NA +MJ013895 Leucasone C16H18O2 242.130679 NA MeJP NA NA +MJ013896 Tetrahydro-6-(1,3,9-undecatriene-5,7-diynyl)-2H-pyran-2-ol C16H18O2 242.130679 NA MeJP NA NA +C14225 Bisphenol B C16H18O2 242.1307 NA KEGG NA NA +C14898 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone C16H18O2 242.1307 NA KEGG NA NA +C15069 4,4'-(Butane-1,1-diyl)diphenol C16H18O2 242.1307 NA KEGG NA NA +C15278 4,4'-(2-Methylpropylidene)bisphenol C16H18O2 242.1307 NA KEGG NA NA +MJ013897 1-Mercapto-4-undecen-3-one, S-Ac C13H22O2S 242.13405 NA MeJP NA NA +C09897 Selagine C15H18N2O 242.1419 NA KEGG NA NA +MJ013898 1,2,3,4,6,7,12,12b-Octahydroindolo[2,3-a]quinolizine, N-Oxide (cis-) C15H18N2O 242.141913 NA MeJP NA NA +MJ013899 2-(2-Aminobenzylamino)benzyl alcohol; Me ether C15H18N2O 242.141913 NA MeJP NA NA +MJ013900 2-[(2-Butynylmethylamino)methyl]-1-methyl-1H-indol-5-ol C15H18N2O 242.141913 NA MeJP NA NA +MJ013901 Chanoclavine I, 10-Epimer, N-de-Me C15H18N2O 242.141913 NA MeJP NA NA +MJ013902 Chanoclavine I, N-De-Me C15H18N2O 242.141913 NA MeJP NA NA +MJ013903 Huperzine A C15H18N2O 242.141913 NA MeJP NA NA +MJ013904 Huperzinine; N,N-Di-de-Me C15H18N2O 242.141913 NA MeJP NA NA +MJ013905 Isoprazone C15H18N2O 242.141913 NA MeJP NA NA +MJ013906 Sophoramine; 7,8-Didehydro C15H18N2O 242.141913 NA MeJP NA NA +8199 ACE inhibitor KAPVA 242.144 MH2+ Inhouse_peptide NA peptide +MJ013907 3,5,6-Trihydroxy-7-megastigmen-9-one C13H22O4 242.151809 NA MeJP NA NA +MJ013908 3-Formyloxiraneoctanoic acid, Et ester C13H22O4 242.151809 NA MeJP NA NA +MJ013909 7-Megastigmene-2,5,6,9-tetrol, 9-Ketone C13H22O4 242.151809 NA MeJP NA NA +MJ013910 Chokolic acid A; Me ester C13H22O4 242.151809 NA MeJP NA NA +MJ013911 Dihydro-4-(hydroxymethyl)-3-(6-methyl-1-oxoheptyl)-2(3H)-furanone C13H22O4 242.151809 NA MeJP NA NA +MJ013912 Bisfentidine C14H18N4 242.153146 NA MeJP NA NA +MJ013913 Mepyrium(1+) C14H19N4(+) 242.153146 NA MeJP NA NA +MJ013914 1,15-Heptadecadiene-11,13-diyn-8-one C17H22O 242.167065 NA MeJP NA NA +MJ013915 1,2,4a,9a-Tetrahydro-3-isopropyl-9a-methylxanthene C17H22O 242.167065 NA MeJP NA NA +MJ013916 1,6,8,10-Heptadecatetraen-4-yn-3-one C17H22O 242.167065 NA MeJP NA NA +MJ013917 1,7,9-Heptadecatriene-11,13-diyn-6-ol C17H22O 242.167065 NA MeJP NA NA +MJ013918 1,8,10-Heptadecatriene-4,6-diyn-3-ol C17H22O 242.167065 NA MeJP NA NA +MJ013919 1,8,15-Heptadecatriene-11,13-diyne; 8,9-Epoxide C17H22O 242.167065 NA MeJP NA NA +MJ013920 1,9,11-Heptadecatriene-4,6-diyn-3-ol C17H22O 242.167065 NA MeJP NA NA +MJ013921 1,9,15-Heptadecatriene-11,13-diyn-8-ol C17H22O 242.167065 NA MeJP NA NA +MJ013922 1,9,16-Heptadecatriene-4,6-diyn-3-ol C17H22O 242.167065 NA MeJP NA NA +MJ013923 1,9-Heptadecadiene-4,6-diyn-3-one C17H22O 242.167065 NA MeJP NA NA +MJ013924 2,4,8,10,16-Heptadecapentaen-6-yn-1-ol C17H22O 242.167065 NA MeJP NA NA +MJ013925 2,8,10-Heptadecatriene-4,6-diyn-1-ol C17H22O 242.167065 NA MeJP NA NA +MJ013926 2,9,16-Heptadecatriene-4,6-diyn-1-ol C17H22O 242.167065 NA MeJP NA NA +MJ013927 2,9,16-Heptadecatriene-4,6-diyn-8-ol C17H22O 242.167065 NA MeJP NA NA +MJ013928 3,16-Heptadecadiene-5,7-diyn-2-one C17H22O 242.167065 NA MeJP NA NA +MJ013929 4,8,10,14,16-Heptadecapentaen-6-yn-3-ol C17H22O 242.167065 NA MeJP NA NA +MJ013930 7,9,15-Heptadecatriene-11,13-diyn-1-ol C17H22O 242.167065 NA MeJP NA NA +MJ013931 8,10,12-Heptadecatriene-4,6-diyn-1-ol C17H22O 242.167065 NA MeJP NA NA +MJ013932 8,10,14,16-Heptadecatetraen-6-yn-3-one C17H22O 242.167065 NA MeJP NA NA +MJ013933 8,10,16-Heptadecatriene-4,6-diyn-3-ol C17H22O 242.167065 NA MeJP NA NA +MJ013934 8,15-Heptadecadiene-11,13-diynal C17H22O 242.167065 NA MeJP NA NA +MJ013935 9,16-Heptadecadiene-4,6-diyn-3-one C17H22O 242.167065 NA MeJP NA NA +MJ013936 9,16-Heptadecadiene-4,6-diyn-8-one C17H22O 242.167065 NA MeJP NA NA +C08451 Falcarinone C17H22O 242.1671 NA KEGG NA NA +C17716 Dehydrofalcarinol C17H22O 242.1671 NA KEGG NA NA +MJ013937 3-(Dimethylaminomethyl)indole; N-(1,1-Dimethyl-2-propenyl) C16H22N2 242.178298 NA MeJP NA NA +MJ013938 Lycodine C16H22N2 242.178298 NA MeJP NA NA +C09876 Lycodine C16H22N2 242.1783 NA KEGG NA NA +MJ013939 6-Oxotetradecanoic acid C14H26O3 242.188194 NA MeJP NA NA +MJ013940 8,10-Dihydroxy-5-isopropyl-8-methyl-6-decen-2-one C14H26O3 242.188194 NA MeJP NA NA +MJ013941 Menglytate C14H26O3 242.188194 NA MeJP NA NA +MJ013942 Sulcatine D C14H26O3 242.188194 NA MeJP NA NA +MJ013943 Tetrahydro-4-hydroxy-6-nonyl-2H-pyran-2-one C14H26O3 242.188194 NA MeJP NA NA +HMDB10730 3-Oxotetradecanoic acid C14H26O3 242.188202 NA HMDB2010 NA NA +C11082 2-N-Undecyltetrahydrothiophene C15H30S 242.2068 NA KEGG NA NA +C11083 Assert C15H30S 242.2068 NA KEGG NA NA +HMDB00826 Pentadecanoic acid C15H30O2 242.224579 NA HMDB2010 NA NA +HMDB00826 Pentadecanoic acid C15H30O2 242.22458 http://www.hmdb.ca/metabolites/HMDB00826 HMDB NA NA +MJ013944 1-Farnesanoic acid C15H30O2 242.22458 NA MeJP NA NA +MJ013945 10-Methyl-1-dodecanol, Ac C15H30O2 242.22458 NA MeJP NA NA +MJ013946 11-Methyltetradecanoic acid C15H30O2 242.22458 NA MeJP NA NA +MJ013947 12-Methyltetradecanoic acid C15H30O2 242.22458 NA MeJP NA NA +MJ013948 13-Methyltetradecanoic acid C15H30O2 242.22458 NA MeJP NA NA +MJ013949 2,4,6,8-Tetramethylundecanoic acid C15H30O2 242.22458 NA MeJP NA NA +MJ013950 2-Dodecanol, Propanoyl C15H30O2 242.22458 NA MeJP NA NA +MJ013951 2-Tridecanol, Ac C15H30O2 242.22458 NA MeJP NA NA +MJ013952 4,6,8-Trimethyl-2-undecanol, Formyl C15H30O2 242.22458 NA MeJP NA NA +MJ013953 7(14)-Farnesene-9,12-diol C15H30O2 242.22458 NA MeJP NA NA +MJ013954 9-Methyl-6-dodecanol; Ac C15H30O2 242.22458 NA MeJP NA NA +MJ013955 Dodecanoic acid; Isopropyl ester C15H30O2 242.22458 NA MeJP NA NA +MJ013956 Pentadecanoic acid C15H30O2 242.22458 NA MeJP NA NA +HMDB00826 Pentadecanoic acid C15H30O2 242.22458 HMDB00826 PFEM_hmdb_metabocards_official NA NA +C16537 Pentadecanoic acid C15H30O2 242.2246 NA KEGG NA NA +C16665 12-Methyltetradecanoic acid C15H30O2 242.2246 NA KEGG NA NA +MJ013957 Hexadecanol C16H34O 242.260965 NA MeJP NA NA +MJ013958 1-Hexadecanol C16H34O 242.260965 NA MeJP NA NA +MJ013959 2-Methyl-1-pentadecanol C16H34O 242.260965 NA MeJP NA NA +MJ013960 3,7-Dimethyl-2-tetradecanol C16H34O 242.260965 NA MeJP NA NA +MetaCyc02211 hexadecanol [1-Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol;] C16H34O1 242.260966 36653-82-4 metacyc NA NA +HMDB03424 1-Hexadecanol C16H34O 242.26097 http://www.hmdb.ca/metabolites/HMDB03424 HMDB NA NA +HMDB03424 1-Hexadecanol C16H34O 242.26097 HMDB03424 PFEM_hmdb_metabocards_official NA NA +HMDB03424 1-Hexadecanol C16H34O 242.260971 NA HMDB2010 NA NA +C00823 1-Hexadecanol C16H34O 242.261 NA KEGG NA NA +MJ013961 Fluopsin C C4H8CuN2O2S2 242.932319 NA MeJP NA NA +MJ013962 3-Cyano-1-(3,5-dichloro-2-hydroxyphenyl)-1-propanone C10H7Cl2NO2 242.985383 NA MeJP NA NA +C10987 N-(3,5-Dichlorophenyl)succinimide C10H7Cl2NO2 242.9854 NA KEGG NA NA +MJ013963 Nemazoline C10H11Cl2N3 243.033002 NA MeJP NA NA +MJ013964 2-(Methylthio)-3H-phenoxazin-3-one C13H9NO2S 243.035399 NA MeJP NA NA +MJ013965 Antibiotic SF 2738F C12H9N3OS 243.046632 NA MeJP NA NA +CJneg0455 Cinnamoylglycine [(M+Cl)]- (37Cl) C11H11Cl037ClNO3 243.048125 C18rt(min)=7.03 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0455 Cinnamoylglycine [(M+Cl)]- (37Cl) C11H11Cl037ClNO3 243.048125 C18rt(min)=7.03 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ013966 Evomerrine C13H9NO4 243.053157 NA MeJP NA NA +MJ013967 Furo[2,3-b]quinoline-4,6,7-triol; NH-form, 6,7-Methylene ether, N-Me C13H9NO4 243.053157 NA MeJP NA NA +MJ013968 Furo[2,3-b]quinoline-4,6,7-triol; OH-form, 6,7-Methylene, 4-Me ether C13H9NO4 243.053157 NA MeJP NA NA +MJ013969 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7,8-Methylene, 4-Me ether C13H9NO4 243.053157 NA MeJP NA NA +MJ013970 Prolifine C13H9NO4 243.053157 NA MeJP NA NA +C10714 Maculine C13H9NO4 243.0532 NA KEGG NA NA +MJ013971 Flurocitabine C9H10FN3O4 243.065534 NA MeJP NA NA +CJneg0456 N-Acetylphenylalanine [(M+Cl)]- C11H13ClNO3 243.066725 C18rt(min)=6.6 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0456 N-Acetylphenylalanine [(M+Cl)]- C11H13ClNO3 243.066725 C18rt(min)=6.6 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +JH160 N-acetyl-D-glucosamine [M+Na]+ NA 243.0719 1.39 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH160 N-acetyl-D-glucosamine [M+Na]+ NA 243.0719 1.39 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH160 N-acetyl-D-glucosamine [M+Na]+ NA 243.0719 1.39 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH160 N-acetyl-D-glucosamine [M+Na]+ NA 243.0719 1.39 Inhousejuil11 NA NA +MJ013972 3-Deazauridine C10H13NO6 243.074287 NA MeJP NA NA +C15045 4-Chloro-[2-(4-Pyridinyl)-1-butenyl]phenol C15H14ClN 243.0815 NA KEGG NA NA +3111 adrenocorticotropin hormone fr,:1-4 SYSM 243.0837 MH2+ Inhouse_peptide NA peptide +C00475 Cytidine C9H13N3O5 243.0855 NA KEGG NA NA +C02961 Cytosine arabinoside C9H13N3O5 243.0855 NA KEGG NA NA +C05711 gamma-Glutamyl-beta-cyanoalanine C9H13N3O5 243.0855 NA KEGG NA NA +C05712 Cyanohydrin C2HNOR2 243.0855 NA KEGG NA NA +C05713 Cyanoglycoside C8H11NO6R2 243.0855 NA KEGG NA NA +MJ013973 Cytidine C9H13N3O5 243.08552 NA MeJP NA NA +MJ013974 gamma-Glutamyl-beta-cyanoalanine C9H13N3O5 243.08552 NA MeJP NA NA +MJ013975 2-Amino-4-hydroxypyrimidine; 1H-form, 1-?-D-Ribopyranosyl C9H13N3O5 243.08552 NA MeJP NA NA +MJ013976 ?-Glutamyl-?-cyanoalanine; L-L-form C9H13N3O5 243.08552 NA MeJP NA NA +MJ013977 Cytidine C9H13N3O5 243.08552 NA MeJP NA NA +MJ013978 Cytosine arabinoside; ?-D-Furanose-form C9H13N3O5 243.08552 NA MeJP NA NA +MetaCyc02212 cytidine [] C9H13N3O5 243.085521 65-46-3 metacyc NA NA +HMDB00089 Cytidine C9H13N3O5 243.085526 NA HMDB2010 NA NA +HMDB00089 Cytidine C9H13N3O5 243.08553 http://www.hmdb.ca/metabolites/HMDB00089 PFEM_hmdb_metabocards_urine NA urine +HMDB00089 Cytidine C9H13N3O5 243.08553 http://www.hmdb.ca/metabolites/HMDB00089 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00089 Cytidine C9H13N3O5 243.08553 http://www.hmdb.ca/metabolites/HMDB00089 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00089 Cytidine C9H13N3O5 243.08553 http://www.hmdb.ca/metabolites/HMDB00089 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00089 Cytidine C9H13N3O5 243.08553 http://www.hmdb.ca/metabolites/HMDB00089 HMDB NA NA +HMDB00089 Cytidine C9H13N3O5 243.08553 http://www.hmdb.ca/metabolites/HMDB00089 PFEM_hmdb_metabocards_blood NA blood +HMDB00089 Cytidine C9H13N3O5 243.08553 HMDB00089 PFEM_hmdb_metabocards_official NA NA +MJ013979 Furterene C10H9N7O 243.086857 NA MeJP NA NA +MJ013980 3-Methyl-2-[(2-nonene-4,6,8-trienoyl)amino]butanoic acid C14H13NO3 243.089543 NA MeJP NA NA +MJ013981 Alonimid C14H13NO3 243.089543 NA MeJP NA NA +MJ013982 Furo[2,3-b]quinoline-4,7-diol; NH-form, 7-Me ether, N-Et C14H13NO3 243.089543 NA MeJP NA NA +MJ013983 Furo[2,3-b]quinoline-4,8-diol; OH-form, O4-Et, O8-Me C14H13NO3 243.089543 NA MeJP NA NA +MJ013984 Murrayacarine C14H13NO3 243.089543 NA MeJP NA NA +MJ013985 Polylongine C14H13NO3 243.089543 NA MeJP NA NA +MJ013986 Prangosine C14H13NO3 243.089543 NA MeJP NA NA +MJ013987 Pyrenoline A; Demethoxy C14H13NO3 243.089543 NA MeJP NA NA +MJ013988 Vertilecanine A, Me ester C14H13NO3 243.089543 NA MeJP NA NA +CJpos0605 Thymidine [M+H]+ (13C) C9[13]CH15O5N2 243.093075 C18rt(min)=1.17 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0605 Thymidine [M+H]+ (13C) C9[13]CH15O5N2 243.093075 C18rt(min)=1.17 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +MetaCyc02213 methoxy-PU [N-(2-methoxy-4-pyridyl)-N'-phenylurea;] C13H13N3O2 243.100777 NA metacyc NA NA +MJ013989 Meluadrine C12H18ClNO2 243.102606 NA MeJP NA NA +C01893 Biotin amide C10H17N3O2S 243.1041 NA KEGG NA NA +HMDB01458 Biotin amide C10H17N3O2S 243.104141 NA HMDB2010 NA NA +MetaCyc02214 biotin amide [] C10H17N3O2S1 243.104147 NA metacyc NA NA +HMDB01458 Biotin amide C10H17N3O2S 243.10416 http://www.hmdb.ca/metabolites/HMDB01458 HMDB NA NA +HMDB01458 Biotin amide C10H17N3O2S 243.10416 HMDB01458 PFEM_hmdb_metabocards_official NA NA +MJ013990 Manifaxine C12H15F2NO2 243.107085 NA MeJP NA NA +3342 ACE inhibitor GPA 243.11 celiac toxic Inhouse_peptide NA peptide +7837 ACE inhibitor PQ 243.11 immunomodulating Inhouse_peptide NA peptide +MetaCyc02215 m-topolin [] C12H13N5O1 243.11201 NA metacyc NA NA +MetaCyc02216 p-topolin [] C12H13N5O1 243.11201 NA metacyc NA NA +MetaCyc02217 o-topolin [] C12H13N5O1 243.11201 NA metacyc NA NA +PJ000079 PQ C10H17N3O4 243.1219 NA PeJP NA NA +C10705 Lemobiline C15H17NO2 243.1259 NA KEGG NA NA +MJ013991 1H-Indole-3-carboxylic acid; N-(1,1-Dimethyl-2-propenyl), Me ester C15H17NO2 243.125928 NA MeJP NA NA +MJ013992 5-Methoxy-2,2-dimethyl-2H-pyrano[2,3-b]quinoline; 3,4-Dihydro C15H17NO2 243.125928 NA MeJP NA NA +MJ013993 Atanine C15H17NO2 243.125928 NA MeJP NA NA +MJ013994 Haplafine; N-Me C15H17NO2 243.125928 NA MeJP NA NA +MJ013995 Haplofoline; N-Me C15H17NO2 243.125928 NA MeJP NA NA +MJ013996 Ifflaiamine C15H17NO2 243.125928 NA MeJP NA NA +MJ013997 Lemobiline C15H17NO2 243.125928 NA MeJP NA NA +MJ013998 N-[2-(7-Methoxy-1-naphthalenyl)ethyl]acetamide C15H17NO2 243.125928 NA MeJP NA NA +MJ013999 Oligophyline C15H17NO2 243.125928 NA MeJP NA NA +MJ014000 Ravenoline C15H17NO2 243.125928 NA MeJP NA NA +MJ014001 Sceletenone C15H17NO2 243.125928 NA MeJP NA NA +8129 peptide derived from dried bonito VPSGK 243.1335 MH2+ Inhouse_peptide NA peptide +MJ014002 Frovatriptan C14H17N3O 243.137162 NA MeJP NA NA +7810 ACE inhibitor from anchovy and bonito KP 243.146 ACE inhibitor Inhouse_peptide NA peptide +8218 Antioxidative peptide KP 243.146 NA ;SYN:(carboxymethyl)-Guanidine; 2-[[Amino(imino)methyl]amino]acetate; 2-[[Amino(imino)methyl]amino]acetic acid; Betacyamine; Betasyamine; Glycocyamine; Guanidineacetate; Guanidineacetic acid; Guanidinoacetate; Guanidinoacetic acid; Guanidoacetate; Guanidoacetic acid; Guanidylacetate; Guanidylacetic acid; Guanyl glycine; N-Amidinoglycine; N-amidino-Glycine; [(aminoiminomethyl)amino]-Acetate; [(aminoiminomethyl)amino]-Acetic acid; a-Guanidinoacetate; a-Guanidinoacetic acid; b-Guanidinoacetate; b-Guanidinoacetic acid; alpha-Guanidinoacetate; alpha-Guanidinoacetic acid; beta-Guanidinoacetate; beta-Guanidinoacetic acidH2Blood; Cellular Cytoplasm; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +CJpos0606 Tiglylcarnitine 2-ethylacrylylcarnitine [(M+H)]+ C12H22NO4 243.146475 C18rt(min)=5.5 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0606 Tiglylcarnitine § 2-ethylacrylylcarnitine [(M+H)]+ C12H22NO4 243.146475 C18rt(min)=5.5 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB02366 Tiglylcarnitine C12H21NO4 243.14706 http://www.hmdb.ca/metabolites/HMDB02366 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02366 Tiglylcarnitine C12H21NO4 243.14706 http://www.hmdb.ca/metabolites/HMDB02366 HMDB NA NA +HMDB02366 Tiglylcarnitine C12H21NO4 243.14706 NA ;SYN:(+/-)-3-Amino-2-methylpropanoic acid; (+/-)-3-Aminoisobutyric acid; (+/-)-b-Aminoisobutyric acid; 2-Methyl-b-alanine; 3-Aminoisobutanoate; DL-2-Methyl-b-alanine; DL-3-Amino-2-methylpropionic acid; a-Methyl-b-alanine; b-Aminoisobutyric acid; (+/-)-beta-Aminoisobutyric acid; DL-beta-Aminoisobutyric acid; 2-Methyl-beta-alanine; DL-2-Methyl-beta-alanine; alpha-Methyl-beta-alanine; beta-Aminoisobutyric acid; (+/-)-3-Amino-2-methylpropanoate; 3-Aminoisobutanoic acid; dl-3-Aminoisobutyric acid; 3-aminoisobutyric acid; 3-amino-isobutanoic acid; 3-amino-2-methylpropanoic acid; 3-amino-isobutanoate; 3-amino-2-methylpropanoate; 3-aminoisobutyrateH2Blood; Urine Inhouse_peptide NA peptide +HMDB02366 Tiglylcarnitine C12H21NO4 243.14706 http://www.hmdb.ca/metabolites/HMDB02366 PFEM_hmdb_metabocards_blood NA blood +HMDB02366 Tiglylcarnitine C12H21NO4 243.14706 HMDB02366 PFEM_hmdb_metabocards_official NA NA +HMDB02366 Tiglylcarnitine C12H21NO4 243.147064 NA HMDB2010 NA NA +MJ014003 N-Bicyclo[2.2.1]hept-2-yl-9-methyl-9H-purin-6-amine C13H17N5 243.148395 NA MeJP NA NA +PJ000080 PK C11H21N3O3 243.1583 NA PeJP NA NA +C10944 Isobutylphendienamide C16H21NO 243.1623 NA KEGG NA NA +MJ014004 2,4-Dodecadiene-8,10-diynoic acid, 2-Methylpropylamide C16H21NO 243.162314 NA MeJP NA NA +MJ014005 2,4-Octadienoic acid, 2-Phenylethylamide C16H21NO 243.162314 NA MeJP NA NA +MJ014006 2,4-Undecadiene-8,10-diynoic acid, 2-Methylbutylamide C16H21NO 243.162314 NA MeJP NA NA +MJ014007 2,4-Undecadiene-8,10-diynoic acid, 3-Methylbutylamide C16H21NO 243.162314 NA MeJP NA NA +MJ014008 2,4-Undecadiene-8,10-diynoic acid, 2-Methylbutylamide C16H21NO 243.162314 NA MeJP NA NA +MJ014009 2-Heptyl-4-hydroxyquinoline C16H21NO 243.162314 NA MeJP NA NA +MJ014010 Dienomycin C C16H21NO 243.162314 NA MeJP NA NA +MJ014011 Morphinan-3-ol C16H21NO 243.162314 NA MeJP NA NA +MJ014012 4-(Cyclopropylmethyl)-3,4,5,6-tetrahydro-2H-1,5-methano-1,4-benzodiazocin-9-amine C15H21N3 243.173547 NA MeJP NA NA +MJ014013 Nazlinin C15H21N3 243.173547 NA MeJP NA NA +MJ014014 8-Tridecen-1-ol, Nitrate C13H25NO3 243.183443 NA MeJP NA NA +MJ014015 1-(1-Phenylcyclohexyl)piperidine C17H25N 243.198699 NA MeJP NA NA +MJ014016 Dendrobates Alkaloid 243A C17H25N 243.198699 NA MeJP NA NA +MJ014017 Mantella Alkaloid 241F; 2',3'-Dihydro C17H25N 243.198699 NA MeJP NA NA +MJ014018 Mantella Alkaloid 241F; 3'',4''-Dihydro C17H25N 243.198699 NA MeJP NA NA +MJ014019 Mantella Alkaloid 243D C17H25N 243.198699 NA MeJP NA NA +C07575 Phencyclidine C17H25N 243.1987 NA KEGG NA NA +MJ014020 2-Amino-4-tetradecene-1,3-diol C14H29NO2 243.219829 NA MeJP NA NA +MJ014021 2-Amino-7-tetradecene-1,3-diol C14H29NO2 243.219829 NA MeJP NA NA +MJ014022 3-Amino-12-methyltridecanoic acid C14H29NO2 243.219829 NA MeJP NA NA +MJ014023 8,10-Diethyllobelidiol C14H29NO2 243.219829 NA MeJP NA NA +MJ014024 Spermidine; N'-Hexanoyl C13H29N3O 243.231062 NA MeJP NA NA +MJ014025 3-Amino-1-propanol; Dodecyl ether C15H33NO 243.256214 NA MeJP NA NA +8052 synthetic peptide PWW 243.605 MH2+ Inhouse_peptide NA peptide +7808 ACE inhibitor from caprine b-Lg LVRT 243.65 MH2+ Inhouse_peptide NA peptide +MJ014026 Dichloromethylenebisphosphonic acid CH4Cl2O6P2 243.886016 NA MeJP NA NA +C12833 2,3,5-Trichloro-cis,cis-muconate C6H3Cl3O4 243.9097 NA KEGG NA NA +MJ014027 4,7-Dialkyl-1,2,3,5,6-pentathiepanes; 4-(2-Methylpropyl)-1,2,3,5,6-pentathiepane C6H12S5 243.954253 NA MeJP NA NA +MJ014028 2-(Iodomethyl)-1,3-dioxolane-4-methanol C5H9IO3 243.959637 NA MeJP NA NA +MJ014029 2,3-Dihydro-5-[[5-(1-propynyl)-2-thienyl]ethynyl]thiophen-3-ol; Ketone C13H8OS2 244.001656 NA MeJP NA NA +MJ014030 3-[5-(2-Thienylethynyl)-2-thienyl]-2-propyn-1-ol C13H8OS2 244.001656 NA MeJP NA NA +MJ014031 5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene; Aldehyde C13H8OS2 244.001656 NA MeJP NA NA +MJ014032 Thiarubrin A; 1-Oxide C13H8OS2 244.001656 NA MeJP NA NA +MJ014033 Thiarubrin B; 1,2-Epoxy C13H8OS2 244.001656 NA MeJP NA NA +MJ014034 Thiarubrin D C13H8OS2 244.001656 NA MeJP NA NA +MJ014035 Thiarubrin H C13H8OS2 244.001656 NA MeJP NA NA +MJ014036 3-(4-Hydroxyphenyl)-2-propenoic acid, O-Sulfate C9H8O6S 244.004158 NA MeJP NA NA +MetaCyc02218 phenylarsine oxide [2-(Hydroxypropyl)phenylarsinic acid;] C9H13O3AS1 244.008066 NA metacyc NA NA +MJ014037 3,4-Dihydro-4,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, 5-Chloro, 6-hydroxy C10H9ClO5 244.013851 NA MeJP NA NA +MJ014038 4-Chloro-3,4-dihydro-5,6,8-trihydroxy-3-methyl-1H-2-benzopyran-1-one C10H9ClO5 244.013851 NA MeJP NA NA +MJ014039 Antibiotic WS 80130 C10H9ClO5 244.013851 NA MeJP NA NA +MJ014040 Fenmetozole C10H10Cl2N2O 244.017018 NA MeJP NA NA +MetaCyc02219 5-methylthiodeoxyribose-1-phosphate [S5-methyl-5-thio-D-deoxyribose-1-phosphate;5-methylthio-D-deoxyribose-1-phosphate;1-phosphomethylthiodeoxyribose;1-phospho-5-S-methylthiodeoxyribose;1-phospho-5-S-methylthio-α-D-deoxyribofuranoside;S-methyl-5-thio-α-D-deoxyribose 1-phosphate;S-methyl-5-thio-D-deoxyribose 1-phosphate;] C6H13O6P1S1 244.017045 NA metacyc NA NA +MJ014041 Aganodine C9H10Cl2N4 244.028251 NA MeJP NA NA +MJ014042 Apraclonidine C9H10Cl2N4 244.028251 NA MeJP NA NA +C07668 Apraclonidine C9H10Cl2N4 244.0283 NA KEGG NA NA +MetaCyc02220 indole carboxyl thiazole [] C12H8N2O2S1 244.030648 NA metacyc NA NA +C01099 L-Fuculose 1-phosphate C6H13O8P 244.0348 NA KEGG NA NA +C01131 L-Rhamnulose 1-phosphate C6H13O8P 244.0348 NA KEGG NA NA +C02985 L-Fucose 1-phosphate C6H13O8P 244.0348 NA KEGG NA NA +C02986 L-Glutaminyl-peptide C7H12N3O4R 244.0348 NA KEGG NA NA +C02987 L-Glutamyl-tRNA(Glu) C20H28N6O13PR 244.0348 NA KEGG NA NA +C02988 L-Histidyl-tRNA(His) C16H24N3O11PR2 244.0348 NA KEGG NA NA +C06369 2-Deoxy-D-glucose 6-phosphate C6H13O8P 244.0348 NA KEGG NA NA +C06370 alpha-D-Glucuronoside C6H9O7R 244.0348 NA KEGG NA NA +MJ014043 L-Fucose 1-phosphate C6H13O8P 244.034803 NA MeJP NA NA +MJ014044 L-Fuculose 1-phosphate C6H13O8P 244.034803 NA MeJP NA NA +MJ014045 L-Rhamnulose 1-phosphate C6H13O8P 244.034803 NA MeJP NA NA +MetaCyc02221 β-L-fucose 1-phosphate [L-Fucose 1-phosphate;β-L-fucose 1-phosphate;6-deoxy-L-galactose 1-phosphate;] C6H13O8P1 244.034804 526-31-8 metacyc NA NA +MetaCyc02222 2-deoxy-D-glucose 6-phosphate [] C6H13O8P1 244.034804 NA metacyc NA NA +MetaCyc02223 rhamnulose-1-phosphate [L-rhamnulose-1P;rhamnulose-1-P;L-rhamnulose-1-phosphate;] C6H13O8P1 244.034804 444-09-7 metacyc NA NA +MetaCyc02224 fuculose-1-phosphate [L-fuculose-1-phosphate;fuculose-1-P;L-fuculose-1-P;] C6H13O8P1 244.034804 92418-41-2 metacyc NA NA +HMDB01265 Fucose 1-phosphate C6H13O8P 244.034805 NA HMDB2010 NA NA +HMDB01265 Fucose 1-phosphate C6H13O8P 244.03481 http://www.hmdb.ca/metabolites/HMDB01265 HMDB NA NA +HMDB01265 Fucose 1-phosphate C6H13O8P 244.03481 HMDB01265 PFEM_hmdb_metabocards_official NA NA +MJ014046 1,2,5-Trihydroxyxanthone C13H8O5 244.037173 NA MeJP NA NA +MJ014047 1,2,8-Trihydroxyxanthone C13H8O5 244.037173 NA MeJP NA NA +MJ014048 1,3,5-Trihydroxyxanthone C13H8O5 244.037173 NA MeJP NA NA +MJ014049 1,3,7-Trihydroxyxanthone C13H8O5 244.037173 NA MeJP NA NA +MJ014050 1,4,5-Trihydroxyxanthone C13H8O5 244.037173 NA MeJP NA NA +MJ014051 1,4,7-Trihydroxyxanthone C13H8O5 244.037173 NA MeJP NA NA +MJ014052 1,4,8-Trihydroxyxanthone C13H8O5 244.037173 NA MeJP NA NA +MJ014053 1,5,6-Trihydroxyxanthone C13H8O5 244.037173 NA MeJP NA NA +MJ014054 1,6,7-Trihydroxyxanthone C13H8O5 244.037173 NA MeJP NA NA +MJ014055 2,3,4-Trihydroxyxanthone C13H8O5 244.037173 NA MeJP NA NA +MJ014056 3,8,10-Trihydroxy-6H-dibenzo[b,d]pyran-6-one C13H8O5 244.037173 NA MeJP NA NA +MJ014057 5,7-Dihydroxynaphtho[2,3-c]furan-4,9-dione; 7-Me ether C13H8O5 244.037173 NA MeJP NA NA +MJ014058 5-Hydroxy-3-methylnaphtho[2,3-c]furan-4(9H)-one; 8-Hydroxy, 9-oxo C13H8O5 244.037173 NA MeJP NA NA +MJ014059 Conicaquinone C13H8O5 244.037173 NA MeJP NA NA +MJ014060 Fasciculiferol C13H8O5 244.037173 NA MeJP NA NA +MetaCyc02225 1,3,7-trihydroxyxanthone [] C13H8O5 244.037173 NA metacyc NA NA +MetaCyc02226 1,3,5-trihydroxyxanthone [] C13H8O5 244.037173 NA metacyc NA NA +C10065 Gentisein C13H8O5 244.0372 NA KEGG NA NA +C10082 Mesuaxanthone B C13H8O5 244.0372 NA KEGG NA NA +C10094 1,3,5-Trihydroxyxanthone C13H8O5 244.0372 NA KEGG NA NA +MJ014061 2,7-Dimethylthianthrene C14H12S2 244.038041 NA MeJP NA NA +C15629 CGP 52608 C8H12N4OS2 244.0453 NA KEGG NA NA +MJ014062 3-(Bromomethylene)-8-methoxy-7-methyl-1,6-octadiene C11H17BrO 244.046277 NA MeJP NA NA +MJ014063 6-(Bromomethylene)-3-methoxy-2-methyl-1,7-octadiene C11H17BrO 244.046277 NA MeJP NA NA +MJ014064 1,6-Phenazinediol; 5,10-Dioxide C12H8N2O4 244.048406 NA MeJP NA NA +MJ014065 ?-Carboline-1,3,4-trione; 8-Methoxy C12H8N2O4 244.048406 NA MeJP NA NA +MJ014066 Pidotimod C9H12N2O4S 244.051777 NA MeJP NA NA +MJ014067 1-O-Galloylglycerol C10H12O7 244.058302 NA MeJP NA NA +MJ014068 Carnidazole C8H12N4O3S 244.06301 NA MeJP NA NA +CJpos0607 Pseudouridine [(M+H)]+ C9H13N2O6 244.068975 C18rt(min)=1.05 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0607 Pseudouridine [(M+H)]+ C9H13N2O6 244.068975 C18rt(min)=1.05 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +EUR632 Uridine [M-H]- 244.0695 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR632 Uridine [M-H]- 244.0695 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR632 Uridine [M-H]- 244.0695 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR632 Uridine [M-H]- 244.0695 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00299 Uridine C9H12N2O6 244.0695 NA KEGG NA NA +C02067 Pseudouridine C9H12N2O6 244.0695 NA KEGG NA NA +C02068 Pseudonigeran C9H12N2O6 244.0695 NA KEGG NA NA +C02069 Putidaredoxin C9H12N2O6 244.0695 NA KEGG NA NA +C02072 RNA (poly(C)) C18H25N6O12P 244.0695 NA KEGG NA NA +C02073 RNA(circular) C10H16O12P2R2 244.0695 NA KEGG NA NA +C16745 Spongouridine C9H12N2O6 244.0695 NA KEGG NA NA +HMDB00296 Uridine C9H12N2O6 244.06953 http://www.hmdb.ca/metabolites/HMDB00296 PFEM_hmdb_metabocards_urine NA urine +HMDB00767 Pseudouridine C9H12N2O6 244.06953 http://www.hmdb.ca/metabolites/HMDB00767 PFEM_hmdb_metabocards_urine NA urine +HMDB00296 Uridine C9H12N2O6 244.06953 http://www.hmdb.ca/metabolites/HMDB00296 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00767 Pseudouridine C9H12N2O6 244.06953 http://www.hmdb.ca/metabolites/HMDB00767 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00296 Uridine C9H12N2O6 244.06953 http://www.hmdb.ca/metabolites/HMDB00296 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00767 Pseudouridine C9H12N2O6 244.06953 http://www.hmdb.ca/metabolites/HMDB00767 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00296 Uridine C9H12N2O6 244.06953 http://www.hmdb.ca/metabolites/HMDB00296 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00767 Pseudouridine C9H12N2O6 244.06953 http://www.hmdb.ca/metabolites/HMDB00767 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00296 Uridine C9H12N2O6 244.06953 http://www.hmdb.ca/metabolites/HMDB00296 HMDB NA NA +HMDB00767 Pseudouridine C9H12N2O6 244.06953 http://www.hmdb.ca/metabolites/HMDB00767 HMDB NA NA +HMDB00296 Uridine C9H12N2O6 244.06953 http://www.hmdb.ca/metabolites/HMDB00296 PFEM_hmdb_metabocards_blood NA blood +HMDB00767 Pseudouridine C9H12N2O6 244.06953 http://www.hmdb.ca/metabolites/HMDB00767 PFEM_hmdb_metabocards_blood NA blood +HMDB00296 Uridine C9H12N2O6 244.06953 HMDB00296 PFEM_hmdb_metabocards_official NA NA +HMDB00767 Pseudouridine C9H12N2O6 244.06953 HMDB00767 PFEM_hmdb_metabocards_official NA NA +HMDB00296 Uridine C9H12N2O6 244.069534 NA HMDB2010 NA NA +HMDB00767 Pseudouridine C9H12N2O6 244.069534 NA HMDB2010 NA NA +MJ014069 Pseudouridine C9H12N2O6 244.069536 NA MeJP NA NA +MJ014070 Uridine C9H12N2O6 244.069536 NA MeJP NA NA +MJ014071 5-Hydroxy-1-?-D-ribofuranosyl-1H-imidazole-4-carboxaldehyde C9H12N2O6 244.069536 NA MeJP NA NA +MJ014072 ?-Amino-3-(carboxymethoxy)-5-methyl-4-isoxazolepropanoic acid C9H12N2O6 244.069536 NA MeJP NA NA +MJ014073 Asterionellin B; 6-Hydroxy C9H12N2O6 244.069536 NA MeJP NA NA +MJ014074 Pseudouridine C C9H12N2O6 244.069536 NA MeJP NA NA +MJ014075 Uridine C9H12N2O6 244.069536 NA MeJP NA NA +MetaCyc02227 pseudouridine [] C9H12N2O6 244.069536 1445-07-4 metacyc NA NA +MetaCyc02228 uridine [] C9H12N2O6 244.069536 58-96-8 metacyc NA NA +LABER072 Uridine NA 244.069544 245, 113, 70, 96 PFEM_hmdb_metabocards_urine NA urine +LABER072 Uridine NA 244.069544 245, 113, 70, 96 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER072 Uridine NA 244.069544 245, 113, 70, 96 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER072 Uridine NA 244.069544 245, 113, 70, 96 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER072 Uridine NA 244.069544 245, 113, 70, 96 HMDB NA NA +LABER072 Uridine NA 244.069544 245, 113, 70, 96 Inhouse_PFEM NA NA +LABER072 Uridine NA 244.069544 245, 113, 70, 96 Inhousejuil11 NA NA +LABER072 Uridine NA 244.069544 245, 113, 70, 96 PFEM_hmdb_metabocards_blood NA blood +LABER072 Uridine NA 244.069544 245, 113, 70, 96 PFEM_hmdb_metabocards_official NA NA +CJneg0457 Pseudouridine [(M-H)]- C9H11N2O6 244.070125 C18rt(min)=1.05 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0457 Pseudouridine [(M-H)]- C9H11N2O6 244.070125 C18rt(min)=1.05 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MLBis024 Uridine HMDB00296_RT3.73_add113 244.0702 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis024 Uridine HMDB00296_RT3.73_add113 244.0702 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis024 Uridine HMDB00296_RT3.73_add113 244.0702 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis024 Uridine HMDB00296_RT3.73_add113 244.0702 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis024 Uridine HMDB00296_RT3.73_add113 244.0702 Mlbis HMDB NA NA +MLBis024 Uridine HMDB00296_RT3.73_add113 244.0702 Mlbis Inhouse_PFEM NA NA +MLBis024 Uridine NA 244.0702 245.0774 Inhouse_sept12 NA NA +MLBis024 Uridine HMDB00296_RT3.73_add113 244.0702 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis024 Uridine HMDB00296_RT3.73_add113 244.0702 Mlbis PFEM_hmdb_metabocards_official NA NA +MJ014076 1,2-Bis(2,3-dihydroxyphenyl)ethylene C14H12O4 244.073558 NA MeJP NA NA +MJ014077 1,4-Azulenedicarboxylic acid; Di-Me ester C14H12O4 244.073558 NA MeJP NA NA +MJ014078 1-(2,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene C14H12O4 244.073558 NA MeJP NA NA +MJ014079 1-(2,6-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene C14H12O4 244.073558 NA MeJP NA NA +MJ014080 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene C14H12O4 244.073558 NA MeJP NA NA +MJ014081 1-(3-Hydroxyphenyl)-2-(2,4,5-trihydroxyphenyl)ethylene C14H12O4 244.073558 NA MeJP NA NA +MJ014082 2,2',4-Trihydroxybenzophenone; 4-Me ether C14H12O4 244.073558 NA MeJP NA NA +MJ014083 2,3,4-Dibenzofurantriol; 2,4-Di-Me ether C14H12O4 244.073558 NA MeJP NA NA +MJ014084 2,3,5,7-Phenanthrenetetrol; 9,10-Dihydro C14H12O4 244.073558 NA MeJP NA NA +MJ014085 2,4,5-Trihydroxybenzophenone; 4-Me ether C14H12O4 244.073558 NA MeJP NA NA +MJ014086 2,4,5-Trihydroxybenzophenone; 5-Me ether C14H12O4 244.073558 NA MeJP NA NA +MJ014087 2,4,6-Trihydroxybenzophenone; 2-Me ether C14H12O4 244.073558 NA MeJP NA NA +MJ014088 2,4,6-Trihydroxybenzophenone; 4-Me ether C14H12O4 244.073558 NA MeJP NA NA +MJ014089 2,5-Dihydroxybenzoic acid; Benzyl ester C14H12O4 244.073558 NA MeJP NA NA +MJ014090 2,6-Dihydroxybenzoic acid; Benzyl ester C14H12O4 244.073558 NA MeJP NA NA +MJ014091 5,6-Dehydrokawain, 7,8-Epoxide C14H12O4 244.073558 NA MeJP NA NA +MJ014092 5-Hydroxy-7-methyl-6-(2-oxopropyl)-1,4-naphthoquinone C14H12O4 244.073558 NA MeJP NA NA +MJ014093 5-Hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one C14H12O4 244.073558 NA MeJP NA NA +MJ014094 5-Tetradecene-8,10,12-triynedioic acid C14H12O4 244.073558 NA MeJP NA NA +MJ014095 6-(4-Hydroxy-3-methoxystyryl)-2-pyrone C14H12O4 244.073558 NA MeJP NA NA +MJ014096 7-Hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one C14H12O4 244.073558 NA MeJP NA NA +MJ014097 9-Tetradecene-2,4,6-triynedioic acid C14H12O4 244.073558 NA MeJP NA NA +MJ014098 Alloxanthoxyletin; O-De-Me C14H12O4 244.073558 NA MeJP NA NA +MJ014099 Anhydrorutaretin C14H12O4 244.073558 NA MeJP NA NA +MJ014100 Apiumetin C14H12O4 244.073558 NA MeJP NA NA +MJ014101 Arnocoumarin; 1',2'-Dihydro, 1'-hydroxy C14H12O4 244.073558 NA MeJP NA NA +MJ014102 Braylin; O-De-Me C14H12O4 244.073558 NA MeJP NA NA +MJ014103 Celereoin; 3'-Deoxy, 3',4'-didehydro C14H12O4 244.073558 NA MeJP NA NA +MJ014104 Dihydrocyperaquinone C14H12O4 244.073558 NA MeJP NA NA +MJ014105 Discophoridin C14H12O4 244.073558 NA MeJP NA NA +MJ014106 Eleutherol C14H12O4 244.073558 NA MeJP NA NA +MJ014107 Exiguachromone B C14H12O4 244.073558 NA MeJP NA NA +MJ014108 Fulvoplumierin C14H12O4 244.073558 NA MeJP NA NA +MJ014109 Graveolone C14H12O4 244.073558 NA MeJP NA NA +MJ014110 Luvangetin; O-De-Me C14H12O4 244.073558 NA MeJP NA NA +MJ014111 Nachsmyrin C14H12O4 244.073558 NA MeJP NA NA +MJ014112 Nocardione A; Me ether C14H12O4 244.073558 NA MeJP NA NA +MJ014113 Obliquin C14H12O4 244.073558 NA MeJP NA NA +MJ014114 Oroselol C14H12O4 244.073558 NA MeJP NA NA +MJ014115 Osthenone C14H12O4 244.073558 NA MeJP NA NA +MJ014116 Pyriculone C14H12O4 244.073558 NA MeJP NA NA +MJ014117 Seselinol C14H12O4 244.073558 NA MeJP NA NA +MJ014118 Suberenone C14H12O4 244.073558 NA MeJP NA NA +MJ014119 Wyerone acid C14H12O4 244.073558 NA MeJP NA NA +MJ014120 Yangonin; 12-O-De-Me C14H12O4 244.073558 NA MeJP NA NA +MJ014121 3,3',4'5-Tetrahydroxystilbene C14H12O4 244.073558 NA MeJP NA NA +HMDB04215 3,3',4'5-Tetrahydroxystilbene C14H12O4 244.07356 http://www.hmdb.ca/metabolites/HMDB04215 HMDB NA NA +HMDB04215 3,3',4'5-Tetrahydroxystilbene C14H12O4 244.07356 HMDB04215 PFEM_hmdb_metabocards_official NA NA +HMDB04215 3,3',4'5-Tetrahydroxystilbene C14H12O4 244.073563 NA HMDB2010 NA NA +C05901 3,3',4'5-Tetrahydroxystilbene C14H12O4 244.0736 NA KEGG NA NA +C08466 Wyerone acid C14H12O4 244.0736 NA KEGG NA NA +C08743 Eriobofuran C14H12O4 244.0736 NA KEGG NA NA +C09778 Fulvoplumierin C14H12O4 244.0736 NA KEGG NA NA +C10273 Oxyresveratrol C14H12O4 244.0736 NA KEGG NA NA +C12090 Methylstyrylpyron C14H12O4 244.0736 NA KEGG NA NA +C14283 2,2'-Dihydroxy-4-methoxybenzophenone C14H12O4 244.0736 NA KEGG NA NA +MJ014122 Clonazoline C14H13ClN2 244.076726 NA MeJP NA NA +MJ014123 5-Azacytidine C8H12N4O5 244.080769 NA MeJP NA NA +MJ014124 Fazarabine C8H12N4O5 244.080769 NA MeJP NA NA +MJ014125 Ribavirin C8H12N4O5 244.080769 NA MeJP NA NA +C11262 5-Azacytidine C8H12N4O5 244.0808 NA KEGG NA NA +C07449 Metiamide C9H16N4S2 244.0816 NA KEGG NA NA +MJ014126 Metiamide C9H16N4S2 244.081637 NA MeJP NA NA +MJ014127 7-Methoxy-?-carboline-1-carboxylic acid; 3,4-Dihydro C13H12N2O3 244.084792 NA MeJP NA NA +HMDB06005 Indolylacryloylglycine C13H12N2O3 244.084793 NA HMDB2010 NA NA +MJ014128 Alovudine C10H13FN2O4 244.085935 NA MeJP NA NA +MJ014129 Amidephrine C10H16N2O3S 244.088163 NA MeJP NA NA +MJ014130 Biotin C10H16N2O3S 244.088163 NA MeJP NA NA +MetaCyc02229 biotin [vitamin H;coenzyme R;d-biotin;] C10H16N2O3S1 244.088163 58-85-5 metacyc NA NA +EUR193 Biotin C10H16N2O3S 244.088165 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR193 Biotin C10H16N2O3S 244.088165 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR193 Biotin C10H16N2O3S 244.088165 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR193 Biotin C10H16N2O3S 244.088165 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR193 Biotin C10H16N2O3S 244.088165 Wishlist HMDB NA NA +HMDB00030 Biotin C10H16N2O3S 244.088165 NA HMDB2010 NA NA +EUR193 Biotin C10H16N2O3S 244.088165 Wishlist Inhouse_PFEM NA NA +EUR193 Biotin C10H16N2O3S 244.088165 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR193 Biotin C10H16N2O3S 244.088165 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00030 Biotin C10H16N2O3S 244.08817 http://www.hmdb.ca/metabolites/HMDB00030 PFEM_hmdb_metabocards_urine NA urine +HMDB00030 Biotin C10H16N2O3S 244.08817 http://www.hmdb.ca/metabolites/HMDB00030 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00030 Biotin C10H16N2O3S 244.08817 http://www.hmdb.ca/metabolites/HMDB00030 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00030 Biotin C10H16N2O3S 244.08817 http://www.hmdb.ca/metabolites/HMDB00030 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00030 Biotin C10H16N2O3S 244.08817 http://www.hmdb.ca/metabolites/HMDB00030 HMDB NA NA +HMDB00030 Biotin C10H16N2O3S 244.08817 http://www.hmdb.ca/metabolites/HMDB00030 PFEM_hmdb_metabocards_blood NA blood +HMDB00030 Biotin C10H16N2O3S 244.08817 HMDB00030 PFEM_hmdb_metabocards_official NA NA +EUR193 Biotin C10H16N2O3S 244.0882 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR193 Biotin C10H16N2O3S 244.0882 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR193 Biotin C10H16N2O3S 244.0882 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR193 Biotin C10H16N2O3S 244.0882 Wishlist Inhousejuil11 NA NA +C00120 Biotin C10H16N2O3S 244.0882 NA KEGG NA NA +MJ014131 Fluprofen C15H13FO2 244.089957 NA MeJP NA NA +MJ014132 Flurbiprofen C15H13FO2 244.089957 NA MeJP NA NA +MJ014133 3,4,5,6-Tetrahydroxy-1-cyclohexene-1-carboxaldehyde; 6-O-(2-Methylpropanoyl) C11H16O6 244.094688 NA MeJP NA NA +MJ014134 3,4,5,6-Tetrahydroxy-1-cyclohexene-1-carboxaldehyde; 6-O-Butanoyl C11H16O6 244.094688 NA MeJP NA NA +MJ014135 Syringoylglycerol C11H16O6 244.094688 NA MeJP NA NA +MetaCyc02230 flavin [] C12H12N4O2 244.096026 NA metacyc NA NA +MJ014136 3-(1H-Indol-3-yl)quinoline C17H12N2 244.100048 NA MeJP NA NA +PJ000081 PE C10H16N2O5 244.1059 NA PeJP NA NA +MJ014137 Longitubanine A C10H16N2O5 244.105921 NA MeJP NA NA +MJ014138 Palythine C10H16N2O5 244.105921 NA MeJP NA NA +MJ014139 Pinnatanine C10H16N2O5 244.105921 NA MeJP NA NA +MetaCyc02231 dihydrothymidine [] C10H16N2O5 244.105922 NA metacyc NA NA +3374 ACE inhibitor (from bovine as1-CN) PFPE 244.107 MH2+ Inhouse_peptide NA peptide +C09280 Osthol C15H16O3 244.1099 NA KEGG NA NA +C09404 Encelin C15H16O3 244.1099 NA KEGG NA NA +C10247 Batatasin IV C15H16O3 244.1099 NA KEGG NA NA +C13626 5-Hydroxybisphenol A C15H16O3 244.1099 NA KEGG NA NA +C13627 Transferred to D02107 C15H16O3 244.1099 NA KEGG NA NA +C13629 1,2-Bis(4-hydroxyphenyl)-2-propanol C15H16O3 244.1099 NA KEGG NA NA +C13631 2,2-Bis(4-hydroxyphenyl)-1-propanol C15H16O3 244.1099 NA KEGG NA NA +C17425 Linderalactone C15H16O3 244.1099 NA KEGG NA NA +MJ014140 1,2-Epoxy-6,8-hirsutadiene-5,10-dione C15H16O3 244.109944 NA MeJP NA NA +MJ014141 1,3-Bis(4-hydroxyphenyl)-2-propanol C15H16O3 244.109944 NA MeJP NA NA +MJ014142 1,4-Dioxo-2,5,7,10-bisabolatetraen-12-al C15H16O3 244.109944 NA MeJP NA NA +MJ014143 1-(2,3-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane; 3-Me ether C15H16O3 244.109944 NA MeJP NA NA +MJ014144 1-(2,4-Dihydroxy-6-methylphenyl)-1-(4-hydroxyphenyl)ethane C15H16O3 244.109944 NA MeJP NA NA +MJ014145 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)propane C15H16O3 244.109944 NA MeJP NA NA +MJ014146 1-(3,4-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane; 3'-Me ether C15H16O3 244.109944 NA MeJP NA NA +MJ014147 1-(3,5-Dihydroxyphenyl)-2-(2-hydroxyphenyl)ethane; 3-Me ether C15H16O3 244.109944 NA MeJP NA NA +MJ014148 1-(3,5-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane; 3-Me ether C15H16O3 244.109944 NA MeJP NA NA +MJ014149 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane; 3-Me ether C15H16O3 244.109944 NA MeJP NA NA +MJ014150 14-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide C15H16O3 244.109944 NA MeJP NA NA +MJ014151 15-Oxo-3,10(14),11(13)-guaiatrien-12,6-olide C15H16O3 244.109944 NA MeJP NA NA +MJ014152 2-Acetyl-3-methyl-1,8-naphthalenediol; Di-Me ether C15H16O3 244.109944 NA MeJP NA NA +MJ014153 2-Hydroxy-4(15),6,8-hirsutatriene-5,10-dione C15H16O3 244.109944 NA MeJP NA NA +MJ014154 2-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide C15H16O3 244.109944 NA MeJP NA NA +MJ014155 2-Oxo-1(10),3,11(13)-guaiatrien-12,8-olide C15H16O3 244.109944 NA MeJP NA NA +MJ014156 2-Oxo-1(10),3,5-guaiatrien-12,8-olide C15H16O3 244.109944 NA MeJP NA NA +MJ014157 2-Oxo-3,10(14),11(13)-guaiatrien-12,6-olide C15H16O3 244.109944 NA MeJP NA NA +MJ014158 3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-2-propenoic acid; Me ester C15H16O3 244.109944 NA MeJP NA NA +MJ014159 3-(2,3-Dihydro-2-isopropenyl-5-benzofuranyl)-2-propenoic acid; Me ester C15H16O3 244.109944 NA MeJP NA NA +MJ014160 3-Hydroxy-1,4(15),11(13)-eudesmatrien-12,6-olide, 3-Ketone C15H16O3 244.109944 NA MeJP NA NA +MJ014161 3-Hydroxy-15-cadalenoic acid C15H16O3 244.109944 NA MeJP NA NA +MJ014162 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-Ketone C15H16O3 244.109944 NA MeJP NA NA +MJ014163 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 3-Ketone C15H16O3 244.109944 NA MeJP NA NA +MJ014164 3-Oxo-1,4(15),11(13)-eudesmatrien-12,8-olide C15H16O3 244.109944 NA MeJP NA NA +MJ014165 3-Oxo-1,4,11(13)-eudesmatrien-12,8-olide C15H16O3 244.109944 NA MeJP NA NA +MJ014166 4,5-Secofuranoeremophila-3,5(10)-diene-6,9-dione C15H16O3 244.109944 NA MeJP NA NA +MJ014167 4,5-Secofuranoeremophila-5,9-dien-4-one; 1-Oxo C15H16O3 244.109944 NA MeJP NA NA +MJ014168 4-Hydroxy-5-methyl-2H-1-benzopyran-2-one; O-(3-Methyl-2-butenyl) C15H16O3 244.109944 NA MeJP NA NA +MJ014169 4-[[4-(Methoxymethyl)phenoxy]methyl]phenol C15H16O3 244.109944 NA MeJP NA NA +MJ014170 5,5-Dimethyl-1-phenyl-6-heptene-1,3,4-trione C15H16O3 244.109944 NA MeJP NA NA +MJ014171 5-Hydroxy-1(10),2,4(15),11(13)-guaiatetraen-12,6-olide C15H16O3 244.109944 NA MeJP NA NA +MJ014172 5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran; 1'-Ketone C15H16O3 244.109944 NA MeJP NA NA +MJ014173 5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, Lactone C15H16O3 244.109944 NA MeJP NA NA +MJ014174 7-(2-Phenylethenyl)-2,6-dioxabicyclo[3.3.1]nonan-3-one C15H16O3 244.109944 NA MeJP NA NA +MJ014175 7-Hydroxy-3-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one; Me ether C15H16O3 244.109944 NA MeJP NA NA +MJ014176 7-Hydroxy-6-prenylcoumarin; Me ether C15H16O3 244.109944 NA MeJP NA NA +MJ014177 8,12-Epoxy-1(10),4,7,11-germacratetraen-15,6-olide C15H16O3 244.109944 NA MeJP NA NA +MJ014178 8-Hydroxy-1(6),2,4,7(11)-cadinatetraen-12,8-olide C15H16O3 244.109944 NA MeJP NA NA +MJ014179 8-Oxo-1,3,6-lactaratrien-5,14-olide C15H16O3 244.109944 NA MeJP NA NA +MJ014180 ?-Cannabispiranol; 2,3,5,6-Tetradehydro C15H16O3 244.109944 NA MeJP NA NA +MJ014181 Angustifolin; Me ether C15H16O3 244.109944 NA MeJP NA NA +MJ014182 Azanzone A C15H16O3 244.109944 NA MeJP NA NA +MJ014183 Bothrioclinin; 3,4-Dihydro C15H16O3 244.109944 NA MeJP NA NA +MJ014184 Cacalol; 14-Oxo C15H16O3 244.109944 NA MeJP NA NA +MJ014185 Cannabispirenone A C15H16O3 244.109944 NA MeJP NA NA +MJ014186 Cannabispirenone B C15H16O3 244.109944 NA MeJP NA NA +MJ014187 Cryptocaryalactone, O-De-Ac C15H16O3 244.109944 NA MeJP NA NA +MJ014188 Demethylcacalohastine; 14-Hydroxy C15H16O3 244.109944 NA MeJP NA NA +MJ014189 Deoxyhemigossypol C15H16O3 244.109944 NA MeJP NA NA +MJ014190 Emmotin C C15H16O3 244.109944 NA MeJP NA NA +MJ014191 Emmotin H C15H16O3 244.109944 NA MeJP NA NA +MJ014192 Fomajorin D C15H16O3 244.109944 NA MeJP NA NA +MJ014193 Furanoeremophil-1(10)-ene-2,9-dione C15H16O3 244.109944 NA MeJP NA NA +MJ014194 Gnididione C15H16O3 244.109944 NA MeJP NA NA +MJ014195 Heritol C15H16O3 244.109944 NA MeJP NA NA +MJ014196 Hibiscone D C15H16O3 244.109944 NA MeJP NA NA +MJ014197 Isogerberacumarin C15H16O3 244.109944 NA MeJP NA NA +MJ014198 Isolinderalactone C15H16O3 244.109944 NA MeJP NA NA +MJ014199 Ivaxillarin; 5-Deoxy, 4,5-didehydro C15H16O3 244.109944 NA MeJP NA NA +MJ014200 Lumiyomogin C15H16O3 244.109944 NA MeJP NA NA +MJ014201 Mansonone G C15H16O3 244.109944 NA MeJP NA NA +MJ014202 Osthenol; Me ether C15H16O3 244.109944 NA MeJP NA NA +MJ014203 Platyphyllide; 3-Methoxy C15H16O3 244.109944 NA MeJP NA NA +MJ014204 Shizukanolide; 8,9-Didehydro, 8?,9?-epoxide C15H16O3 244.109944 NA MeJP NA NA +MJ014205 Smyrnicordiolide; 8,9-Didehydro C15H16O3 244.109944 NA MeJP NA NA +MJ014206 Werneriachromene C15H16O3 244.109944 NA MeJP NA NA +8245 Antioxidative peptide GWNI 244.11345 MH2+ Inhouse_peptide NA peptide +MJ014207 Guanidinoproclavaminic acid C9H16N4O4 244.117155 NA MeJP NA NA +MetaCyc02232 amidinoproclavaminate [] C9H16N4O4 244.117155 NA metacyc NA NA +C06657 Guanidinoproclavaminic acid C9H16N4O4 244.1172 NA KEGG NA NA +8081 synthetic peptide RWQ 244.119 MH2+ Inhouse_peptide NA peptide +MJ014208 1,2,3,4-Tetrahydro-?-carboline-3-carboxylic acid, N2-Me, Me ester C14H16N2O2 244.121177 NA MeJP NA NA +MJ014209 Cyclo(phenylalanylprolyl) C14H16N2O2 244.121177 NA MeJP NA NA +MJ014210 Etomidate C14H16N2O2 244.121177 NA MeJP NA NA +MJ014211 Imiloxan C14H16N2O2 244.121177 NA MeJP NA NA +MJ014212 Methyl 2-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate C14H16N2O2 244.121177 NA MeJP NA NA +MJ014213 Peganidine C14H16N2O2 244.121177 NA MeJP NA NA +MJ014214 Rolicyprine C14H16N2O2 244.121177 NA MeJP NA NA +C07522 Etomidate C14H16N2O2 244.1212 NA KEGG NA NA +C11847 Cyclo(L-Phe-L-Pro) C14H16N2O2 244.1212 NA KEGG NA NA +CJpos0608 Hydroxyoctanoylcarnitine [(M+H)-(NC3H9)]+ C12H21N0O5 244.130575 C18rt(min)=6.6 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0608 Hydroxyoctanoylcarnitine [(M+H)-(NC3H9)]+ C12H21N0O5 244.130575 C18rt(min)=6.6 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ014215 3,4,5,8,9,10-Hexahydro-3,8,9-trihydroxy-10-propyl-2H-oxecin-2-one C12H20O5 244.131073 NA MeJP NA NA +MJ014216 8,10,12-Trihydroxy-2,4-dodecadienoic acid C12H20O5 244.131073 NA MeJP NA NA +MJ014217 Boronolide; Tri-de-Ac C12H20O5 244.131073 NA MeJP NA NA +MJ014218 Cryptocaryolone C12H20O5 244.131073 NA MeJP NA NA +MJ014219 Pandangolide 1 C12H20O5 244.131073 NA MeJP NA NA +MJ014220 ?4,?4-Dimethyl-5-(1-methylethenyl)-1,2-dioxolane-3,4-dimethanol; ?4-Ac C12H20O5 244.131073 NA MeJP NA NA +MJ014221 1-Hydroxy-2-valylamido-1-cyclobutaneacetic acid C11H20N2O4 244.142307 NA MeJP NA NA +MJ014222 Terramide B C11H20N2O4 244.142307 NA MeJP NA NA +C09917 Arnebinol C16H20O2 244.1463 NA KEGG NA NA +C10351 Geranylbenzoquinone C16H20O2 244.1463 NA KEGG NA NA +MJ014223 15-Cadalenol; 2,3-Dihydro, carboxylic acid, Me ester C16H20O2 244.146329 NA MeJP NA NA +MJ014224 2,7-Cadalenediol; 3-Me ether C16H20O2 244.146329 NA MeJP NA NA +MJ014225 2-(2-Butenyl)benzenehexanoic acid; 1'',4''-Didehydro C16H20O2 244.146329 NA MeJP NA NA +MJ014226 2-(2-Butenyl)benzenehexanoic acid; 1',2'-Didehydro C16H20O2 244.146329 NA MeJP NA NA +MJ014227 2-(3,7-Dimethyl-2,6-octadienyl)-1,4-benzoquinone C16H20O2 244.146329 NA MeJP NA NA +MJ014228 2-Methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-6-ol C16H20O2 244.146329 NA MeJP NA NA +MJ014229 3,8-Cadalenediol; 8-Me ether C16H20O2 244.146329 NA MeJP NA NA +MJ014230 4,5-Secofuranoeremophila-3,5,9-trien-9-ol; Me ether C16H20O2 244.146329 NA MeJP NA NA +MJ014231 4,6,10,12-Tetradecatetraen-8-yn-1-ol, Ac C16H20O2 244.146329 NA MeJP NA NA +MJ014232 5,6,7,8-Tetrahydro-9-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan C16H20O2 244.146329 NA MeJP NA NA +MJ014233 6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-2-ol C16H20O2 244.146329 NA MeJP NA NA +MJ014234 Arnebinol C16H20O2 244.146329 NA MeJP NA NA +MJ014235 Cordiaquinol C C16H20O2 244.146329 NA MeJP NA NA +MJ014236 Fenestrel C16H20O2 244.146329 NA MeJP NA NA +MJ014237 Lindenene; 13-Methoxy C16H20O2 244.146329 NA MeJP NA NA +MJ014238 Lindenene; ?4,5-Isomer, 13-methoxy C16H20O2 244.146329 NA MeJP NA NA +MJ014239 Tetrahydro-5-(1,3,9-undecatriene-5,7-diynyl)-2-furanol, 9,10-Dihydro, Me ether C16H20O2 244.146329 NA MeJP NA NA +MJ014240 1-Mercapto-3-undecanone; S-Ac C13H24O2S 244.1497 NA MeJP NA NA +CJpos0609 Tiglylcarnitine 2-ethylacrylylcarnitine [(M+H)]+ (13C) C1113CH22NO4 244.149875 C18rt(min)=5.5 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0609 Tiglylcarnitine § 2-ethylacrylylcarnitine [(M+H)]+ (13C) C1113CH22NO4 244.149875 C18rt(min)=5.5 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ014241 1-Phenyl-3-(1-piperidinyl)-2-pyrrolidinone C15H20N2O 244.157563 NA MeJP NA NA +MJ014242 2,3-Dihydro-1-(1-piperidinylacetyl)-1H-indole C15H20N2O 244.157563 NA MeJP NA NA +MJ014243 Anagyrine C15H20N2O 244.157563 NA MeJP NA NA +MJ014244 Cytisine, N-(3-Butenyl) C15H20N2O 244.157563 NA MeJP NA NA +MJ014245 Multiflorine; 5,6-Didehydro C15H20N2O 244.157563 NA MeJP NA NA +MJ014246 Multiflorine; Didehydro C15H20N2O 244.157563 NA MeJP NA NA +MJ014247 Pillijanine C15H20N2O 244.157563 NA MeJP NA NA +MJ014248 Sophoramine C15H20N2O 244.157563 NA MeJP NA NA +MJ014249 Thermopsine C15H20N2O 244.157563 NA MeJP NA NA +MJ014250 Tinctorine C15H20N2O 244.157563 NA MeJP NA NA +MJ014251 Tryptamine; Nb-(3-Methylbutanoyl) C15H20N2O 244.157563 NA MeJP NA NA +MJ014252 Tsukushinamine A C15H20N2O 244.157563 NA MeJP NA NA +C10624 Verruculotoxin C15H20N2O 244.1576 NA KEGG NA NA +C10750 Anagyrine C15H20N2O 244.1576 NA KEGG NA NA +C10781 Rhombifoline C15H20N2O 244.1576 NA KEGG NA NA +C10782 Sophoramine C15H20N2O 244.1576 NA KEGG NA NA +C10789 Thermospine C15H20N2O 244.1576 NA KEGG NA NA +C10790 Tinctorine C15H20N2O 244.1576 NA KEGG NA NA +C10791 Tsukushinamine A C15H20N2O 244.1576 NA KEGG NA NA +MJ014253 2-Methyl-3-octylbutanedioic acid C13H24O4 244.167459 NA MeJP NA NA +MJ014254 2-Octylpentanedioic acid C13H24O4 244.167459 NA MeJP NA NA +MJ014255 4,5-Dihydro-4-hydroxymethyl-3-(1-hydroxy-6-methylheptyl)-2(3H)-furanone C13H24O4 244.167459 NA MeJP NA NA +MJ014256 7-Megastigmene-3,4,6,9-tetrol C13H24O4 244.167459 NA MeJP NA NA +MJ014257 7-Megastigmene-3,5,6,9-tetrol C13H24O4 244.167459 NA MeJP NA NA +MJ014258 Dihydro-5-(hydroxymethyl)-3-(1-hydroxy-6-methylheptyl)-2(3H)-furanone C13H24O4 244.167459 NA MeJP NA NA +HMDB02327 1,11-Undecanedicarboxylic acid C13H24O4 244.167465 NA HMDB2010 NA NA +HMDB02327 1,11-Undecanedicarboxylic acid C13H24O4 244.16747 http://www.hmdb.ca/metabolites/HMDB02327 HMDB NA NA +HMDB02327 1,11-Undecanedicarboxylic acid C13H24O4 244.16747 HMDB02327 PFEM_hmdb_metabocards_official NA NA +3182 dipeptidyl-aminopeptidase IV inhibitor LL 244.168 celiac toxic Inhouse_peptide NA peptide +8323 Glucose uptake stimulating peptide IL 244.168 Bile-acid glycine conjugates ;SYN:3a-Hydroxy-5b-cholanic acid glycine ester; 3a-Hydroxy-5b-cholanoylglycine; 3a-Hydroxy-N-(carboxymethyl)-5b-cholan-24-amide; Glycolithocholic acid; Lithocholic acid glycine conjugate; Lithocholic acid glycine conjugic acid; Lithocholylglycine; N-(3a-Hydroxy-5b-cholanoyl)glycine; N-(3a-hydroxy-5b-cholan-24-oyl)-Glycine; N-(carboxymethyl)-3a-hydroxy-5b-Cholan-24-amide; glycolithocholate; lithocholoyglycine; 3alpha-hydroxy-5beta-cholan-24-oic acid N-(carboxymethyl)amide; 3alpha-hydroxy-5beta-cholan-24-oate; 3alpha-hydroxy-5beta-cholan-24-oic acidH2Bile; Blood Inhouse_peptide NA peptide +8324 Glucose uptake stimulating peptide LI 244.168 Short chain acyl carnitines ;SYN:Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; Hexanoyl DL-carnitine; Hexanoyl-d,l-carnitine; Hexanoylcarnitine; Caproylcarnitine; Hexanoate; Hexanoic acidH2Blood Inhouse_peptide NA peptide +8325 Glucose uptake stimulating peptide II 244.168 Short chain acyl carnitines ;SYN:Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; Hexanoyl DL-carnitine; Hexanoyl-d,l-carnitine; Hexanoylcarnitine; Caproylcarnitine; Hexanoate; Hexanoic acidH2Blood Inhouse_peptide NA peptide +8326 Glucose uptake stimulating peptide LL 244.168 Bile-acid glycine conjugates ;SYN:3a,7b-Dihydroxy-5b-cholanoylglycine; Glycoursodeoxycholate; Glycoursodeoxycholic acid; Glycylursodeoxycholate; Glycylursodeoxycholic acid; N-(3a,7b-Dihydroxy-5b-cholan-24-oyl)glycine; N-[(3a,5b,7b)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine; UrsodeoxycholylglycineH2Blood Inhouse_peptide NA peptide +MetaCyc02233 6-aminohexanoate linear dimer [Alo;] C12H24N2O3 244.178693 NA metacyc NA NA +C01255 N-(6-Aminohexanoyl)-6-aminohexanoate C12H24N2O3 244.1787 NA KEGG NA NA +C01256 [Pyruvate dehydrogenase (acetyl-transferring)] C4H6N2O3R2 244.1787 NA KEGG NA NA +C11332 Leucyl-leucine C12H24N2O3 244.1787 NA KEGG NA NA +PJ000082 LL C12H24N2O3 244.1787 NA PeJP NA NA +C08450 Falcarinol C17H24O 244.1827 NA KEGG NA NA +C17447 (3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol C17H24O 244.1827 NA KEGG NA NA +C17448 Diosgenin glycoside C17H24O 244.1827 NA KEGG NA NA +MJ014259 1,7,9,13-Heptadecatetraen-11-yn-3-ol C17H24O 244.182715 NA MeJP NA NA +MJ014260 1,9-Heptadecadiene-11,13-diyn-8-ol C17H24O 244.182715 NA MeJP NA NA +MJ014261 1,9-Heptadecadiene-4,6-diyn-3-ol C17H24O 244.182715 NA MeJP NA NA +MJ014262 2,7,9,13-Heptadecatetraen-11-yn-1-ol C17H24O 244.182715 NA MeJP NA NA +MJ014263 2,9-Heptadecadiene-4,6-diyn-1-ol C17H24O 244.182715 NA MeJP NA NA +MJ014264 2,9-Heptadecadiene-4,6-diyn-8-ol C17H24O 244.182715 NA MeJP NA NA +MJ014265 2-(1-Tridecen-12-ynyl)furan C17H24O 244.182715 NA MeJP NA NA +MJ014266 4,8,10,16-Heptadecatetraen-6-yn-3-ol C17H24O 244.182715 NA MeJP NA NA +MJ014267 8,10,16-Heptadecatrien-6-yn-3-one C17H24O 244.182715 NA MeJP NA NA +MJ014268 8,10-Heptadecadiene-4,6-diyn-1-ol C17H24O 244.182715 NA MeJP NA NA +MJ014269 8,11,13-Podocarpatrien-13-ol C17H24O 244.182715 NA MeJP NA NA +MJ014270 9,15-Heptadecadiene-11,13-diyn-8-ol C17H24O 244.182715 NA MeJP NA NA +MJ014271 9,16-Heptadecadiene-4,6-diyn-3-ol C17H24O 244.182715 NA MeJP NA NA +MJ014272 9,16-Heptadecadiene-4,6-diyn-8-ol C17H24O 244.182715 NA MeJP NA NA +MJ014273 9-Heptadecene-4,6-diyn-3-one C17H24O 244.182715 NA MeJP NA NA +MJ014274 Phascoline C11H24N4O2 244.189926 NA MeJP NA NA +JH228 Curcumin N/A NA 244.191 21.48 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH228 Curcumin N/A NA 244.191 21.48 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH228 Curcumin N/A NA 244.191 21.48 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH228 Curcumin N/A NA 244.191 21.48 Inhousejuil11 NA NA +C07913 Xylometazoline C16H24N2 244.1939 NA KEGG NA NA +MJ014275 Isoaminile C16H24N2 244.193948 NA MeJP NA NA +MJ014276 Xylometazoline C16H24N2 244.193948 NA MeJP NA NA +C13790 2S-Hydroxytetradecanoic acid C14H28O3 244.2038 NA KEGG NA NA +HMDB02261 2-Hydroxymyristic acid C14H28O3 244.20384 http://www.hmdb.ca/metabolites/HMDB02261 HMDB NA NA +HMDB02261 2-Hydroxymyristic acid C14H28O3 244.20384 HMDB02261 PFEM_hmdb_metabocards_official NA NA +HMDB02261 2-Hydroxymyristic acid C14H28O3 244.203842 NA HMDB2010 NA NA +HMDB10731 (R)-3-Hydroxy-tetradecanoic acid C14H28O3 244.203842 NA HMDB2010 NA NA +MJ014277 10-Hydroxytetradecanoic acid C14H28O3 244.203844 NA MeJP NA NA +MJ014278 11-Hydroxytetradecanoic acid C14H28O3 244.203844 NA MeJP NA NA +MJ014279 14-Hydroxytetradecanoic acid C14H28O3 244.203844 NA MeJP NA NA +MJ014280 2-Hydroxytetradecanoic acid C14H28O3 244.203844 NA MeJP NA NA +MJ014281 3-Hydroxytetradecanoic acid C14H28O3 244.203844 NA MeJP NA NA +MJ014282 6-Hydroxytetradecanoic acid C14H28O3 244.203844 NA MeJP NA NA +MJ014283 8-Hydroxytetradecanoic acid C14H28O3 244.203844 NA MeJP NA NA +HMDB01186 N1-Acetylspermine C12H28N4O 244.2263 http://www.hmdb.ca/metabolites/HMDB01186 HMDB NA NA +C02567 N1-Acetylspermine C12H28N4O 244.2263 NA KEGG NA NA +C02568 N5-Alkylglutamine C5H9N2O3R 244.2263 NA KEGG NA NA +HMDB01186 N1-Acetylspermine C12H28N4O 244.2263 HMDB01186 PFEM_hmdb_metabocards_official NA NA +MetaCyc02234 N1-acetylspermine [] C12H28N4O1 244.226312 77928-70-2 metacyc NA NA +HMDB01186 N1-Acetylspermine C12H28N4O 244.226318 NA HMDB2010 NA NA +MJ014284 N,N'-Bis[3-(ethylamino)propyl]-1,3-propanediamine C13H32N4 244.262697 NA MeJP NA NA +8072 synthetic peptide RWE 244.611 MH2+ Inhouse_peptide NA peptide +MJ014285 Iron(III) citrate C6H5FeO7 244.938469 NA MeJP NA NA +C10917 7-N,N-Dimethylamino-1,2,3,4,5-pentathiocyclooctane C5H11NS5 244.9495 NA KEGG NA NA +MJ014286 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide; 3-Bromo C8H8BrNO3 244.968755 NA MeJP NA NA +MJ014287 Guanfacine C9H9Cl2N3O 245.012267 NA MeJP NA NA +C07037 Guanfacine C9H9Cl2N3O 245.0123 NA KEGG NA NA +C07038 Transferred to D00338 C9H9Cl2N3O 245.0123 NA KEGG NA NA +C07039 Transferred to D00339 C9H9Cl2N3O 245.0123 NA KEGG NA NA +MJ014288 Edrophonium(1+); Bromide C10H16BrNO 245.041526 NA MeJP NA NA +MetaCyc02235 2-deoxyglucose-6-phosphate [] C6H14O8P1 245.042629 NA metacyc NA NA +MJ014289 ?-Amino-?-methyl-4-phosphonobenzeneacetic acid C9H12NO5P 245.045309 NA MeJP NA NA +MJ014290 3-(4-Chlorophenoxy)-1,2-propanediol, 1-Carbamate C10H12ClNO4 245.045485 NA MeJP NA NA +C07930 Chlorphenesin carbamate C10H12ClNO4 245.0455 NA KEGG NA NA +MJ014291 2-?-D-Ribofuranosyl-4-oxazolecarboxylic acid C9H11NO7 245.053551 NA MeJP NA NA +MJ014292 Oxazinomycin C9H11NO7 245.053551 NA MeJP NA NA +MJ014293 Dacopafant C12H11N3OS 245.062282 NA MeJP NA NA +MJ014294 6-Azauridine C8H11N3O6 245.064785 NA MeJP NA NA +MetaCyc02236 6-aza-uridine [azauridine;6-azauridine;] C8H11N3O6 245.064785 39455-15-7 metacyc NA NA +MJ014295 Flumetramide C11H10F3NO2 245.066363 NA MeJP NA NA +C10694 Haplopine C13H11NO4 245.0688 NA KEGG NA NA +MJ014296 10-Hydroxy-8-decene-2,4,6-triynoic acid, Glycyl methyl ester C13H11NO4 245.068807 NA MeJP NA NA +MJ014297 3-(2,6-Dihydroxy-4-methoxybenzoyl)pyridine C13H11NO4 245.068807 NA MeJP NA NA +MJ014298 Furo[2,3-b]quinoline-4,5,8-triol; 4,8-Di-Me ether C13H11NO4 245.068807 NA MeJP NA NA +MJ014299 Furo[2,3-b]quinoline-4,6,7-triol; OH-form, 4,6-Di-Me ether C13H11NO4 245.068807 NA MeJP NA NA +MJ014300 Furo[2,3-b]quinoline-4,6,7-triol; OH-form, 4,7-Di-Me ether C13H11NO4 245.068807 NA MeJP NA NA +MJ014301 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,7-Di-Me ether C13H11NO4 245.068807 NA MeJP NA NA +MJ014302 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,8-Di-Me ether C13H11NO4 245.068807 NA MeJP NA NA +MJ014303 Caerulomycin; 3-Hydroxy C12H11N3O3 245.080041 NA MeJP NA NA +MJ014304 Leucettamine B C12H11N3O3 245.080041 NA MeJP NA NA +C16635 5'-Deoxy-5-fluorocytidine C9H12FN3O4 245.0812 NA KEGG NA NA +C16636 tRNA(Sec) C10H17O10PR2 245.0812 NA KEGG NA NA +MJ014305 Bipenamol C14H15NOS 245.087434 NA MeJP NA NA +MJ014306 4-Hydroxy-2-butenoic acid, Nitrile, O-?-D-glucopyranoside C10H15NO6 245.089937 NA MeJP NA NA +MJ014307 Hymenialdisine; Debromo, (E)-isomer C11H11N5O2 245.091274 NA MeJP NA NA +3273 NA GRGDS 245.10095 MH2+ Inhouse_peptide NA peptide +MJ014308 5,6-Dihydro-5-azathymidine C9H15N3O5 245.10117 NA MeJP NA NA +MJ014309 4'-Hydroxy-3',4'-dihydroflindersine C14H15NO3 245.105193 NA MeJP NA NA +MJ014310 4-Hydroxy-2,3-dimethylquinoline; N-Acetoxymethyl C14H15NO3 245.105193 NA MeJP NA NA +MJ014311 Anthosamine A; N-Me C14H15NO3 245.105193 NA MeJP NA NA +MJ014312 Dilemmaone A; 5-Hydroxy C14H15NO3 245.105193 NA MeJP NA NA +MJ014313 N,N-Bis(4-hydroxybenzyl)hydroxylamine C14H15NO3 245.105193 NA MeJP NA NA +MJ014314 Riedelianine C14H15NO3 245.105193 NA MeJP NA NA +7832 ACE inhibitor LN 245.1269 immunomodulating Inhouse_peptide NA peptide +3331 human beta-casein fr,58-61 LVYP 245.1335 MH2+ Inhouse_peptide NA peptide +PJ000083 VQ C10H19N3O4 245.1376 NA PeJP NA NA +4005 NA RA 245.138 antifungal Inhouse_peptide NA peptide +7588 ACE inhibitor RA 245.138 antioxidative Inhouse_peptide NA peptide +7742 ACE inhibitor AR 245.138 antioxidative Inhouse_peptide NA peptide +MJ014315 1-Hydroxymethylpyrrolizidine, O-Benzoyl C15H19NO2 245.141578 NA MeJP NA NA +MJ014316 2-Hydroxy-1-(1H-indol-3-yl)-4-methyl-3-hexanone C15H19NO2 245.141578 NA MeJP NA NA +MJ014317 8-Azabicyclo[3.2.1]octan-3-ol, O-Phenylacetyl C15H19NO2 245.141578 NA MeJP NA NA +MJ014318 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-Benzoyl C15H19NO2 245.141578 NA MeJP NA NA +MJ014319 Sattazolin C15H19NO2 245.141578 NA MeJP NA NA +C10848 Tropacocaine C15H19NO2 245.1416 NA KEGG NA NA +C11381 Benzoyltropein C15H19NO2 245.1416 NA KEGG NA NA +MJ014320 beta-Alanyl-L-arginine C9H19N5O3 245.148789 NA MeJP NA NA +C05340 beta-Alanyl-L-arginine C9H19N5O3 245.1488 NA KEGG NA NA +PJ000084 AR C9H19N5O3 245.1488 NA PeJP NA NA +MJ014321 Methafurylene C14H19N3O 245.152812 NA MeJP NA NA +MJ014322 Oxolamine C14H19N3O 245.152812 NA MeJP NA NA +MJ014323 Ramifenazone C14H19N3O 245.152812 NA MeJP NA NA +MJ014324 Tambjamine A; 1''-N-(2-Methylpropyl) C14H19N3O 245.152812 NA MeJP NA NA +MJ014325 Xilobam C14H19N3O 245.152812 NA MeJP NA NA +7558 ACE inhibitor from buckwheat VK 245.162 antioxidative Inhouse_peptide NA peptide +CJpos0610 Isovalerylcarnitine [(M+H)]+ C12H24NO4 245.162175 C18rt(min)=5.65 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0611 2-methylbutyroylcarnitine [(M+H)]+ C12H24NO4 245.162175 C18rt(min)=5.55 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0610 Isovalerylcarnitine [(M+H)]+ C12H24NO4 245.162175 C18rt(min)=5.65 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0611 2-methylbutyroylcarnitine [(M+H)]+ C12H24NO4 245.162175 C18rt(min)=5.55 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB00688 Isovalerylcarnitine C12H23NO4 245.1627 http://www.hmdb.ca/metabolites/HMDB00688 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00378 2-Methylbutyroylcarnitine C12H23NO4 245.1627 http://www.hmdb.ca/metabolites/HMDB00378 HMDB NA NA +HMDB00688 Isovalerylcarnitine C12H23NO4 245.1627 http://www.hmdb.ca/metabolites/HMDB00688 HMDB NA NA +HMDB00688 Isovalerylcarnitine C12H23NO4 245.1627 http://www.hmdb.ca/metabolites/HMDB00688 PFEM_hmdb_metabocards_blood NA blood +HMDB00378 2-Methylbutyroylcarnitine C12H23NO4 245.1627 HMDB00378 PFEM_hmdb_metabocards_official NA NA +HMDB00688 Isovalerylcarnitine C12H23NO4 245.1627 HMDB00688 PFEM_hmdb_metabocards_official NA NA +HMDB00688 Isovalerylcarnitine C12H23NO4 245.1627 NA ;SYN:DL-Methionine sulfoxide; L-Methionine sulfoxide; S-oxide-methionine; alpha-amino-gamma-(methylsulfinyl)-Butyric acid; 2-amino-4-(methylsulfinyl)-Butanoic acid; 2-amino-4-(methylsulfinyl)-Butanoate; L-methionine R-oxide;L-methionine (S)-S-oxideH2Blood; Urine Inhouse_peptide NA peptide +HMDB00378 2-Methylbutyroylcarnitine C12H23NO4 245.162704 NA HMDB2010 NA NA +HMDB00688 Isovalerylcarnitine C12H23NO4 245.162704 NA HMDB2010 NA NA +HMDB13128 Valerylcarnitine C12H23NO4 245.162704 NA HMDB2010 NA NA +MJ014326 Pinacidil C13H19N5 245.164045 NA MeJP NA NA +PJ000085 VK C11H23N3O3 245.174 NA PeJP NA NA +MJ014327 2,4,10-Dodecatrien-8-ynoic acid, 2-Methylpropylamide C16H23NO 245.177964 NA MeJP NA NA +MJ014328 2-Dodecene-8,10-diynoic acid, 2-Methylpropylamide C16H23NO 245.177964 NA MeJP NA NA +MJ014329 2-Undecene-8,10-diynoic acid, 2-Methylbutylamide C16H23NO 245.177964 NA MeJP NA NA +MJ014330 Anazocine C16H23NO 245.177964 NA MeJP NA NA +MJ014331 Anhydrolycodoline; Natural-form C16H23NO 245.177964 NA MeJP NA NA +MJ014332 Cavernoisonitrile C16H23NO 245.177964 NA MeJP NA NA +MJ014333 Dezocine C16H23NO 245.177964 NA MeJP NA NA +MJ014334 Fawcettidine C16H23NO 245.177964 NA MeJP NA NA +MJ014335 Inaperisone C16H23NO 245.177964 NA MeJP NA NA +MJ014336 Lycopecurine; 5-Ketone C16H23NO 245.177964 NA MeJP NA NA +MJ014337 Lycopodium Base IV C16H23NO 245.177964 NA MeJP NA NA +MJ014338 Pyrovalerone C16H23NO 245.177964 NA MeJP NA NA +MJ014339 Tolperisone C16H23NO 245.177964 NA MeJP NA NA +MJ014340 Tolquinzole C16H23NO 245.177964 NA MeJP NA NA +C08010 Dezocine C16H23NO 245.178 NA KEGG NA NA +C08011 Transferred to D00839 C16H23NO 245.178 NA KEGG NA NA +C09862 Fawcettidine C16H23NO 245.178 NA KEGG NA NA +MJ014341 Iquindamine C15H23N3 245.189197 NA MeJP NA NA +MJ014342 Gamfexine C17H27N 245.214349 NA MeJP NA NA +MJ014343 Mantella Alkaloid 241F; 2',3',3'',4''-Tetrahydro C17H27N 245.214349 NA MeJP NA NA +MJ014344 Mantella Alkaloid 243D; 4',5'-Dihydro C17H27N 245.214349 NA MeJP NA NA +MJ014345 Caldopentamine C12H31N5 245.257946 NA MeJP NA NA +7943 synthetic peptide YYF 245.597 MH2+ Inhouse_peptide NA peptide +7961 synthetic peptide FYY 245.597 MH2+ Inhouse_peptide NA peptide +7963 synthetic peptide YFY 245.597 MH2+ Inhouse_peptide NA peptide +7904 NA SALAM 245.6152 MH2+ Inhouse_peptide NA peptide +MJ014346 Strontium bromide (SrBr2) Br2Sr 245.742289 NA MeJP NA NA +MJ014347 Tetrachlorohydroquinone C6H2Cl4O2 245.88089 NA MeJP NA NA +MJ014348 3,4,5,6-Tetrachloro-1,2-benzenediol C6H2Cl4O2 245.88089 NA MeJP NA NA +MetaCyc02237 tetrachlorohydroquinone [2,3,5,6-tetrachlorohydroquinone;TeCH;] C6H2O2CL4 245.88089 NA metacyc NA NA +C03434 Tetrachlorohydroquinone C6H2Cl4O2 245.8809 NA KEGG NA NA +C03437 beta-D-Fructofuranoside C6H11O6R 245.8809 NA KEGG NA NA +C03438 beta-Lactam antibiotics C6H3NO3SR2 245.8809 NA KEGG NA NA +MJ014349 Tetrahydro-3-iodothiophene, S,S-Dioxide C4H7IO2S 245.921143 NA MeJP NA NA +MJ014350 2-Bromo-5,6-epoxy-4-hydroxy-2-cyclohexen-1-one, Ac C8H7BrO4 245.952771 NA MeJP NA NA +MJ014351 3-Bromo-2,5,6-trihydroxybenzaldehyde; 2-Me ether C8H7BrO4 245.952771 NA MeJP NA NA +MJ014352 Eudistomin J; Deoxy C11H7BrN2 245.97926 NA MeJP NA NA +MJ014353 Eudistomin N C11H7BrN2 245.97926 NA MeJP NA NA +C17169 Eudistomin N C11H7BrN2 245.9793 NA KEGG NA NA +C17202 S-Palmitoylprotein C20H36N2O3SR2 245.9793 NA KEGG NA NA +MJ014354 2,3,5-Tris(methylthio)-1,4-benzenediol; 1,4-Quinone C9H10O2S3 245.984291 NA MeJP NA NA +C00129 Isopentenyl diphosphate C5H12O7P2 246.0058 NA KEGG NA NA +C00235 Dimethylallyl diphosphate C5H12O7P2 246.0058 NA KEGG NA NA +MJ014355 Dimethylallyl diphosphate C5H12O7P2 246.005825 NA MeJP NA NA +MJ014356 Isopentenyl diphosphate C5H12O7P2 246.005825 NA MeJP NA NA +MJ014357 Polyisopentenylpyrolinate C5H12O7P2 246.005825 NA MeJP NA NA +MetaCyc02238 Δ3-isopentenyl-PP [isopentenyl-pp;isopentenyl diphosphate;IPP;δ(3)-isopentenyl-PP;isopentenyl pyrophosphate;] C5H12O7P2 246.005826 NA metacyc NA NA +MetaCyc02239 dimethylallyl-pyrophosphate [prenyl-diphosphate;δ-prenyl diphosphate;δ2-isopentenyl-diphosphate;2-isopentenyl diphosphate;prenyl diphosphate;DMAPP;DPP;dimethylallyl-diphosphate;di-CH3-allyl-PPi;dimethylallyl-PP;dimethylallyl-PPi;DMPP;] C5H12O7P2 246.005826 358-71-4 metacyc NA NA +HMDB01120 Dimethylallylpyrophosphate C5H12O7P2 246.005829 NA HMDB2010 NA NA +HMDB01347 Isopentenyl pyrophosphate C5H12O7P2 246.005829 NA HMDB2010 NA NA +HMDB01120 Dimethylallylpyrophosphate C5H12O7P2 246.00583 http://www.hmdb.ca/metabolites/HMDB01120 HMDB NA NA +HMDB01347 Isopentenyl pyrophosphate C5H12O7P2 246.00583 http://www.hmdb.ca/metabolites/HMDB01347 HMDB NA NA +HMDB01120 Dimethylallylpyrophosphate C5H12O7P2 246.00583 HMDB01120 PFEM_hmdb_metabocards_official NA NA +HMDB01347 Isopentenyl pyrophosphate C5H12O7P2 246.00583 HMDB01347 PFEM_hmdb_metabocards_official NA NA +MJ014358 Biclodil C8H8Cl2N4O 246.007516 NA MeJP NA NA +MJ014359 Guanabenz; N-Hydroxy C8H8Cl2N4O 246.007516 NA MeJP NA NA +MJ014360 Magnesium sulfate heptahydrate H14MgO11S 246.010723 NA MeJP NA NA +MJ014361 Gomphilactone C12H6O6 246.016437 NA MeJP NA NA +MJ014362 2,3-Dihydro-5-[[5-(1-propynyl)-2-thienyl]ethynyl]thiophen-3-ol C13H10OS2 246.017306 NA MeJP NA NA +MJ014363 3-(6-Hydroxy-1,3-hexadiynyl)-6-(1-propynyl)-1,2-dithiin C13H10OS2 246.017306 NA MeJP NA NA +MJ014364 5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene C13H10OS2 246.017306 NA MeJP NA NA +MJ014365 5-Acetyl-5'-(1-propynyl)-2,2'-bithiophene C13H10OS2 246.017306 NA MeJP NA NA +MJ014366 2-Chloro-1,6-phenazinediol C12H7ClN2O2 246.019605 NA MeJP NA NA +MJ014367 Busulfan C6H14O6S2 246.023179 NA MeJP NA NA +MJ014368 6-Bromo-1,4-epoxy-2-ochtoden-8-ol C10H15BrO2 246.025542 NA MeJP NA NA +MJ014369 6-Bromo-1,4-epoxy-3(8)-ochtoden-2-ol C10H15BrO2 246.025542 NA MeJP NA NA +MJ014370 3-Chloro-1,5-dihydroxy-4-oxo-2-(1-propenyl)-2-cyclopentene-1-carboxylic acid, Me ester C10H11ClO5 246.029501 NA MeJP NA NA +CJneg0458 Aminosalicyluric acid [(M+Cl)]- C9H10ClN2O4 246.041325 C18rt(min)=4.5 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0458 Aminosalicyluric acid [(M+Cl)]- C9H10ClN2O4 246.041325 C18rt(min)=4.5 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ014371 Guanclofine C9H12Cl2N4 246.043901 NA MeJP NA NA +MetaCyc02240 indole carboxyl hydro-thiazole [] C12H10N2O2S1 246.046298 NA metacyc NA NA +C03274 Glycerophosphoglycerol C6H15O8P 246.0505 NA KEGG NA NA +C02162 Isopimpinellin C13H10O5 246.0528 NA KEGG NA NA +C02163 L-Arginyl-tRNA(Arg) C21H33N9O11PR 246.0528 NA KEGG NA NA +C06355 2,3',4,6-Tetrahydroxybenzophenone C13H10O5 246.0528 NA KEGG NA NA +C09285 Pimpinellin C13H10O5 246.0528 NA KEGG NA NA +MJ014372 2,4,4',6-Tetrahydroxybenzophenone C13H10O5 246.052823 NA MeJP NA NA +MJ014373 2H-Furo[2,3-h][1]benzopyran-2-one; 3,6-Dimethoxy C13H10O5 246.052823 NA MeJP NA NA +MJ014374 3-Methoxycarbonyl-7-formyl-1-benzoxepin-5(2H)-one C13H10O5 246.052823 NA MeJP NA NA +MJ014375 5,6-Dihydroxy-2H-furo[2,3-h]-1-benzopyran-2-one; Di-Me ether C13H10O5 246.052823 NA MeJP NA NA +MJ014376 5,7-Dihydroxynaphtho[2,3-c]furan-4,9-dione; 1,3-Dihydro, 7-Me ether C13H10O5 246.052823 NA MeJP NA NA +MJ014377 6,7-Dihydroxy-3-propyl-1H-2-benzopyran-1-one; 1'-Oxo, methylene ether C13H10O5 246.052823 NA MeJP NA NA +MJ014378 ?-Sorigenin; 6-Methoxy C13H10O5 246.052823 NA MeJP NA NA +MJ014379 Coriandrin; 1'-Hydroxy C13H10O5 246.052823 NA MeJP NA NA +MJ014380 Halkendin C13H10O5 246.052823 NA MeJP NA NA +MJ014381 Hispidin C13H10O5 246.052823 NA MeJP NA NA +MJ014382 Isopimpinellin C13H10O5 246.052823 NA MeJP NA NA +MJ014383 Juglomycin F C13H10O5 246.052823 NA MeJP NA NA +MJ014384 Khellin; O9-De-Me C13H10O5 246.052823 NA MeJP NA NA +MJ014385 Khellol C13H10O5 246.052823 NA MeJP NA NA +MetaCyc02241 hispidin [2-[2-(3,4-dihydroxyphenyl)ethenyl]-6-hydroxy-pyran-4-one;] C13H10O5 246.052823 NA metacyc NA NA +MetaCyc02242 2,3',4,6-tetrahydroxybenzophenone [] C13H10O5 246.052823 NA metacyc NA NA +MJ014386 Dibenzyl disulfide C14H14S2 246.053691 NA MeJP NA NA +CJneg0459 Azelaic acid [(M-H)+(NaCl)]- C9H15ClNaO4 246.064025 C18rt(min)=7.01 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0459 Azelaic acid [(M-H)+(NaCl)]- C9H15ClNaO4 246.064025 C18rt(min)=7.01 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ014387 Nifurpirinol C12H10N2O4 246.064056 NA MeJP NA NA +MJ014388 2'-Deoxy-5-fluorouridine C9H11FN2O5 246.065199 NA MeJP NA NA +MJ014389 5'-Deoxy-5-fluorouridine C9H11FN2O5 246.065199 NA MeJP NA NA +C11736 5-Fluorodeoxyuridine C9H11FN2O5 246.0652 NA KEGG NA NA +C12739 5'-Deoxy-5-fluorouridine C9H11FN2O5 246.0652 NA KEGG NA NA +C12740 Transferred to D01310 C9H11FN2O5 246.0652 NA KEGG NA NA +C12741 Transferred to D01311 C9H11FN2O5 246.0652 NA KEGG NA NA +C12742 Transferred to D01312 C9H11FN2O5 246.0652 NA KEGG NA NA +C12743 Transferred to D01313 C9H11FN2O5 246.0652 NA KEGG NA NA +C12744 Transferred to D01314 C9H11FN2O5 246.0652 NA KEGG NA NA +C12745 Transferred to D01315 C9H11FN2O5 246.0652 NA KEGG NA NA +C12746 Transferred to D01316 C9H11FN2O5 246.0652 NA KEGG NA NA +C12747 Transferred to D01317 C9H11FN2O5 246.0652 NA KEGG NA NA +C12748 Transferred to D02396 C9H11FN2O5 246.0652 NA KEGG NA NA +C12749 Transferred to D01318 C9H11FN2O5 246.0652 NA KEGG NA NA +MJ014390 Thiostreptine C9H14N2O4S 246.067427 NA MeJP NA NA +MJ014391 8-(2-Thienyl)-3,5-octadien-7-yn-1-ol, Ac C14H14O2S 246.07145 NA MeJP NA NA +MJ014392 3-[(1-Methylpropyl)dithio]-2-propen-1-ol, 2-Methyl-2-propenoyl C11H18O2S2 246.074821 NA MeJP NA NA +MJ014393 Axinohydantoin; Debromo C11H10N4O3 246.07529 NA MeJP NA NA +MJ014394 5,6-Dihydrouridine C9H14N2O6 246.085186 NA MeJP NA NA +HMDB00497 5,6-Dihydrouridine C9H14N2O6 246.08519 NA HMDB2010 NA NA +HMDB11160 L-alpha-Aspartyl-L-hydroxyproline C9H14N2O6 246.08519 NA HMDB2010 NA NA +MJ014395 Azanidazole C10H10N6O2 246.086523 NA MeJP NA NA +C09210 Columbianetin C14H14O4 246.0892 NA KEGG NA NA +C09259 Decursinol C14H14O4 246.0892 NA KEGG NA NA +C09276 Marmesin C14H14O4 246.0892 NA KEGG NA NA +C09278 Nodakenetin C14H14O4 246.0892 NA KEGG NA NA +C17672 Torachrysone C14H14O4 246.0892 NA KEGG NA NA +MJ014396 1-(2,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethane C14H14O4 246.089208 NA MeJP NA NA +MJ014397 2,3',4',5'-Biphenyltetrol; 3',5'-Di-Me ether C14H14O4 246.089208 NA MeJP NA NA +MJ014398 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one C14H14O4 246.089208 NA MeJP NA NA +MJ014399 2,4,6,8,10,12-Tetradecahexaenedioic acid C14H14O4 246.089208 NA MeJP NA NA +MJ014400 2,8-Decadiene-4,6-diyne-1,10-diol, Di-Ac C14H14O4 246.089208 NA MeJP NA NA +MJ014401 2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 6-Me ether C14H14O4 246.089208 NA MeJP NA NA +MJ014402 2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 8-Me ether C14H14O4 246.089208 NA MeJP NA NA +MJ014403 3,7-Dihydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one C14H14O4 246.089208 NA MeJP NA NA +MJ014404 4'-Hydroxy-3',4'-dihydroseselin C14H14O4 246.089208 NA MeJP NA NA +MJ014405 4,5,6-Trihydroxy-2-naphthalenecarboxaldehyde; Tri-Me ether C14H14O4 246.089208 NA MeJP NA NA +MJ014406 4,5,8-Trihydroxy-2-naphthalenecarboxaldehyde; Tri-Me ether C14H14O4 246.089208 NA MeJP NA NA +MJ014407 4-Hydroxy-2-methoxy-5-(1-oxo-2,4-hexadienyl)benzaldehyde C14H14O4 246.089208 NA MeJP NA NA +MJ014408 5,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl) C14H14O4 246.089208 NA MeJP NA NA +MJ014409 5,7-Dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C14H14O4 246.089208 NA MeJP NA NA +MJ014410 5-Acetyl-6-hydroxy-2-isopropenyl-7-methoxybenzofuran C14H14O4 246.089208 NA MeJP NA NA +MJ014411 6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl) C14H14O4 246.089208 NA MeJP NA NA +MJ014412 7,8-Dihydro-7-hydroxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one C14H14O4 246.089208 NA MeJP NA NA +MJ014413 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl) C14H14O4 246.089208 NA MeJP NA NA +MJ014414 7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(3-Methyl-2-butenyl) C14H14O4 246.089208 NA MeJP NA NA +MJ014415 7-Hydroxy-2H-1-benzopyran-2-one; O-(2-Hydroxy-3-methyl-3-butenyl) C14H14O4 246.089208 NA MeJP NA NA +MJ014416 7-Hydroxy-6-(3-hydroxy-3-methyl-1-butenyl)-2H-1-benzopyran-2-one C14H14O4 246.089208 NA MeJP NA NA +MJ014417 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(2-Methyl-1-propenyl) C14H14O4 246.089208 NA MeJP NA NA +MJ014418 7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one C14H14O4 246.089208 NA MeJP NA NA +MJ014419 7-[(3-Methyl-2-butenyl)oxy]-2H-1-benzopyran-2-one; 2'R,3'-Epoxide C14H14O4 246.089208 NA MeJP NA NA +MJ014420 Arnottinin C14H14O4 246.089208 NA MeJP NA NA +MJ014421 Dendranthemenol; 8,9-Epoxide, 13-epimer C14H14O4 246.089208 NA MeJP NA NA +MJ014422 Dihydrooroselol C14H14O4 246.089208 NA MeJP NA NA +MJ014423 Fraxinellonone C14H14O4 246.089208 NA MeJP NA NA +MJ014424 Ftalofyne C14H14O4 246.089208 NA MeJP NA NA +MJ014425 Graphenone C14H14O4 246.089208 NA MeJP NA NA +MJ014426 Hibiscoquinone B C14H14O4 246.089208 NA MeJP NA NA +MJ014427 Libanotin A C14H14O4 246.089208 NA MeJP NA NA +MJ014428 Lomatin C14H14O4 246.089208 NA MeJP NA NA +MJ014429 Norpinguisanolide C14H14O4 246.089208 NA MeJP NA NA +MJ014430 Obliquetol C14H14O4 246.089208 NA MeJP NA NA +MJ014431 Osthenone, 1',2'-Dihydro C14H14O4 246.089208 NA MeJP NA NA +MJ014432 Phthalidochromene C14H14O4 246.089208 NA MeJP NA NA +MJ014433 Platypodantherone C14H14O4 246.089208 NA MeJP NA NA +MJ014434 Pulsaquinone C14H14O4 246.089208 NA MeJP NA NA +MJ014435 Seselinol; 9,10-Dihydro C14H14O4 246.089208 NA MeJP NA NA +MJ014436 Sorrentanone C14H14O4 246.089208 NA MeJP NA NA +MJ014437 Tamarin, O-De-Me C14H14O4 246.089208 NA MeJP NA NA +MJ014438 Tenual C14H14O4 246.089208 NA MeJP NA NA +MJ014439 Tenuidin C14H14O4 246.089208 NA MeJP NA NA +MJ014440 Tetrahydrocyperaquinone C14H14O4 246.089208 NA MeJP NA NA +MJ014441 Wyerone acid, 11,12-Dihydro C14H14O4 246.089208 NA MeJP NA NA +C07898 Naphazoline hydrochloride C14H14N2 246.0924 NA KEGG NA NA +C14938 N-[(4-Chlorophenyl)methyl]-N-ethyl-2-pyridinamine C14H15ClN2 246.0924 NA KEGG NA NA +3171 dipeptidyl-aminopeptidase IV inhibitor MP 246.0924 celiac toxic Inhouse_peptide NA peptide +PJ000086 NN C8H14N4O5 246.0964 NA PeJP NA NA +MJ014442 5,6-Dihydro-5-azacytidine C8H14N4O5 246.096419 NA MeJP NA NA +MJ014443 Arginine, N2-Oxalyl C8H14N4O5 246.096419 NA MeJP NA NA +CJpos0612 N-Acetyltryptophan [(M+H)]+ C13H15N2O3 246.099875 C18rt(min)=6.68 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0613 Cinnamoylglycine [(M+H)+(CH3CN)]+ C13H15N2O3 246.099875 C18rt(min)=7.03 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0614 N-Acetyltryptophan isomer [(M+H)]+ C13H15N2O3 246.099875 C18rt(min)=7 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0615 N-Acetyltryptophan isomer [(M+H)]+ C13H15N2O3 246.099875 C18rt(min)=5.75 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0616 Phenylacetylglutamine [(M+H)-(H2O)]+ C13H15N2O3 246.099875 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0612 N-Acetyltryptophan [(M+H)]+ C13H15N2O3 246.099875 C18rt(min)=6.68 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0613 Cinnamoylglycine [(M+H)+(CH3CN)]+ C13H15N2O3 246.099875 C18rt(min)=7.03 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0614 N-Acetyltryptophan isomer [(M+H)]+ C13H15N2O3 246.099875 C18rt(min)=7 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0615 N-Acetyltryptophan isomer [(M+H)]+ C13H15N2O3 246.099875 C18rt(min)=5.75 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0616 Phenylacetylglutamine [(M+H)-(H2O)]+ C13H15N2O3 246.099875 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +C03137 N-Acetyl-D-tryptophan C13H14N2O3 246.1004 NA KEGG NA NA +C03138 N-Acetylcorticotropin C13H14N2O3 246.1004 NA KEGG NA NA +C07829 Mephobarbital C13H14N2O3 246.1004 NA KEGG NA NA +C07830 Transferred to D00701 C13H14N2O3 246.1004 NA KEGG NA NA +C07831 Transferred to D00702 C13H14N2O3 246.1004 NA KEGG NA NA +MJ014444 Antibiotic DC 81 C13H14N2O3 246.100442 NA MeJP NA NA +MJ014445 Methylphenobarbital C13H14N2O3 246.100442 NA MeJP NA NA +MJ014446 N-(2,6-Dioxo-3-piperidinyl)benzeneacetamide C13H14N2O3 246.100442 NA MeJP NA NA +MetaCyc02243 indole-3-acetyl-ala [indole-3-acetyl-alanine;] C13H14N2O3 246.100442 NA metacyc NA NA +CJneg0460 N-Acetyltryptophan [(M-H)]- C13H13N2O3 246.101025 C18rt(min)=6.68 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0461 N-Acetyltryptophan isomer [(M-H)]- C13H13N2O3 246.101025 C18rt(min)=7 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0460 N-Acetyltryptophan [(M-H)]- C13H13N2O3 246.101025 C18rt(min)=6.68 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0461 N-Acetyltryptophan isomer [(M-H)]- C13H13N2O3 246.101025 C18rt(min)=7 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +PJ000087 PM C10H18N2O3S 246.1038 NA PeJP NA NA +MetaCyc02244 9-mercaptodethiobiotin [9-mercaptodesthiobiotin;] C10H18N2O3S1 246.103813 NA metacyc NA NA +8089 peptide derived from tuna cooking juice VDYP 246.10495 MH2+ Inhouse_peptide NA peptide +7828 ACE inhibitor EV 246.11 antithrombotic Inhouse_peptide NA peptide +7829 ACE inhibitor VE 246.11 ACE inhibitor Inhouse_peptide NA peptide +MJ014447 1,2,6-Trihydroxy-4-oxocyclohexaneacetic acid, 2,6-Di-Me ether, Me ester C11H18O6 246.110338 NA MeJP NA NA +MJ014448 4,5-Dihydroxy-2,6-octadienoic acid; 2,3-Dihydroxypropyl ester C11H18O6 246.110338 NA MeJP NA NA +MJ014449 Eccremocarpol A C11H18O6 246.110338 NA MeJP NA NA +MJ014450 [Dihydro-5-(1,3-dihydroxybutyl)-4-hydroxy-2(3H)furanylidene]acetic acid; Me ester C11H18O6 246.110338 NA MeJP NA NA +MJ014451 [Tetrahydro-4,5-dihydroxy-6-(2-hydroxypropyl)-2H-pyranylidene]acetic acid; Me ester C11H18O6 246.110338 NA MeJP NA NA +MJ014452 3,3'-Methylenebisindole C17H14N2 246.115698 NA MeJP NA NA +MJ014453 Ellipticine C17H14N2 246.115698 NA MeJP NA NA +MJ014454 Flavopereirine C17H14N2 246.115698 NA MeJP NA NA +MJ014455 Olivacine C17H14N2 246.115698 NA MeJP NA NA +C09154 Ellipticine C17H14N2 246.1157 NA KEGG NA NA +C09230 Olivacine C17H14N2 246.1157 NA KEGG NA NA +CJpos0617 Asp-Leu Asp-Ile [(M+H)]+ C10H19N2O5 246.120975 C18rt(min)=4.95 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0618 Asp-Leu Asp-Ile [(M+H)]+ C10H19N2O5 246.120975 C18rt(min)=5.15 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0619 Glu-Val [(M+H)]+ C10H19N2O5 246.120975 C18rt(min)=4.3 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0617 Asp-Leu § Asp-Ile [(M+H)]+ C10H19N2O5 246.120975 C18rt(min)=4.95 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0618 Asp-Leu § Asp-Ile [(M+H)]+ C10H19N2O5 246.120975 C18rt(min)=5.15 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0619 Glu-Val [(M+H)]+ C10H19N2O5 246.120975 C18rt(min)=4.3 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB11166 L-beta-aspartyl-L-leucine C10H18N2O5 246.121567 NA HMDB2010 NA NA +HMDB11172 L-gamma-glutamyl-L-valine C10H18N2O5 246.121567 NA HMDB2010 NA NA +MJ014456 N-?-Glutamylvaline; L-L-form C10H18N2O5 246.121571 NA MeJP NA NA +PJ000088 VE C10H18N2O5 246.1216 NA PeJP NA NA +CJneg0462 Asp-Leu / Asp-Ile [(M-H)]- C10H17N2O5 246.122125 C18rt(min)=4.95 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0463 Glu-Val [(M-H)]- C10H17N2O5 246.122125 C18rt(min)=4.4 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0462 Asp-Leu / Asp-Ile [(M-H)]- C10H17N2O5 246.122125 C18rt(min)=4.95 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0463 Glu-Val [(M-H)]- C10H17N2O5 246.122125 C18rt(min)=4.4 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ014457 1(10),11(13)-Eremophiladien-12,8-olide, 3-Oxo C15H18O3 246.125594 NA MeJP NA NA +MJ014458 1(10),3,11(13)-Guaiatrien-12,6-olide, 3?,4?-Epoxide C15H18O3 246.125594 NA MeJP NA NA +MJ014459 1,10-Epoxy-3,11(13)-guaiadien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014460 1,8-Epoxy-4,11(13)-guaiadien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014461 1-Hydroxy-1,3,5,8,10-bisabolapentaen-15-oic acid, 2-Hydroxy, 15-aldehyde C15H18O3 246.125594 NA MeJP NA NA +MJ014462 1-Hydroxy-2(9),6-hirsutadiene-5,10-dione; 1?-form C15H18O3 246.125594 NA MeJP NA NA +MJ014463 1-Hydroxy-2,4(15),11(13)-eudesmatrien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014464 1-Hydroxy-3,9,11(13)-guaiatrien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014465 1-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 1-Ketone C15H18O3 246.125594 NA MeJP NA NA +MJ014466 1-Hydroxy-4,10(14)-germacradien-12,6-olide, 11,13-Didehydro, 1-ketone C15H18O3 246.125594 NA MeJP NA NA +MJ014467 1-Hydroxy-4-oxo-2,5,10-bisabolatrien-12-al, 1-Ketone C15H18O3 246.125594 NA MeJP NA NA +MJ014468 1-Oxo-2,4-eudesmadien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014469 1-Oxo-4(15),7(11)-eremophiladien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014470 1-Oxo-4,10(14),11(13)-germacratrien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014471 1-Oxo-4,10(14),11-germacratrien-15,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014472 13-Deoxyisoonoceriolide; 6?-Hydroxy C15H18O3 246.125594 NA MeJP NA NA +MJ014473 14-Oxo-1(10),4,11(13)-germacratrien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014474 15-Hydroxy-3,11(13)-eudesmadien-12,8-olide, 15-Aldehyde C15H18O3 246.125594 NA MeJP NA NA +MJ014475 15-Hydroxy-4,11(13)-eudesmadien-12,8-olide, 15-Aldehyde C15H18O3 246.125594 NA MeJP NA NA +MJ014476 2,10-Dihydroxy-4(15),6,8-hirsutatrien-5-one C15H18O3 246.125594 NA MeJP NA NA +MJ014477 2,3-Epoxy-4(15)-guaien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014478 2,5-Cuparadiene-1,4,10-trione C15H18O3 246.125594 NA MeJP NA NA +MJ014479 2,9:5,14-Diepoxy-5,7(14)-lactaradien-8-one C15H18O3 246.125594 NA MeJP NA NA +MJ014480 2-Hydroxy-1,4,6-eudesmatriene-3,8-dione C15H18O3 246.125594 NA MeJP NA NA +MJ014481 2-Hydroxy-15-nor-1,4,6-eudesmatriene-3,8-dione; Me ether C15H18O3 246.125594 NA MeJP NA NA +MJ014482 2-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014483 2-Hydroxy-3,11(13)-eudesmadien-12,8-olide, 2-Ketone C15H18O3 246.125594 NA MeJP NA NA +MJ014484 2-Hydroxy-5,11(13)-eudesmadien-12,8-olide, 2-Ketone C15H18O3 246.125594 NA MeJP NA NA +MJ014485 2-Oxo-1(10),11(13)-eremophiladien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014486 2-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro C15H18O3 246.125594 NA MeJP NA NA +MJ014487 2-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro C15H18O3 246.125594 NA MeJP NA NA +MJ014488 2-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 2?-Alcohol C15H18O3 246.125594 NA MeJP NA NA +MJ014489 2-Oxo-1(10),3,11(13)-guaiatrien-12-oic acid; 5?-form C15H18O3 246.125594 NA MeJP NA NA +MJ014490 2-Oxo-1(10),3,5-guaiatrien-2-oic acid C15H18O3 246.125594 NA MeJP NA NA +MJ014491 2-Oxo-1(5),3,11(13)-xanthatrien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014492 2-Oxo-1(5)-guaien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014493 2-Oxo-1,2-seco-1(10),3,8-germacratrien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014494 2-Oxo-3,5-guaiadien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014495 3,4,4a,5-Tetrahydro-3-hydroxy-2,2-dimethylnaphtho[1,2-b]pyran-6(2H)-one C15H18O3 246.125594 NA MeJP NA NA +MJ014496 3,4-Dihydro-3,4-dihydroxy-2-(3-methyl-2-butenyl)-1(2H)-naphthalenone C15H18O3 246.125594 NA MeJP NA NA +MJ014497 3,4-Epoxy-1,11(13)-eudesmadien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014498 3,4-Epoxy-10(14),11(13)-guaiadien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014499 3-(3,4-Dihydroxyphenyl)-2-propenal, 3'-Me ether, 4'-O-(3-methyl-2-butenyl) C15H18O3 246.125594 NA MeJP NA NA +MJ014500 3-(4-Hydroxyphenyl)-2-propenoic acid, O-(3-Methyl-2-butenyl), Me ester C15H18O3 246.125594 NA MeJP NA NA +MJ014501 3-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Ketone C15H18O3 246.125594 NA MeJP NA NA +MJ014502 3-Hydroxy-1,4(15),11(13)-eudesmatrien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014503 3-Hydroxy-1,4(15),11(13)-eudesmatrien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014504 3-Hydroxy-1,4(15),11(13)-eudesmatrien-12-oic acid, 3-Ketone C15H18O3 246.125594 NA MeJP NA NA +MJ014505 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014506 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014507 3-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-Ketone C15H18O3 246.125594 NA MeJP NA NA +MJ014508 3-Hydroxy-4(15),9,11(13)-guaiatrien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014509 3-Oxo-1,11(13)-eudesmadien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014510 3-Oxo-1,11(13)-guaiadien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014511 3-Oxo-1,4(15),11(13)-eudesmatrien-12,8-olide, 11?,13-Dihydro C15H18O3 246.125594 NA MeJP NA NA +MJ014512 3-Oxo-1,4(15),11(13)-eudesmatrien-12,8-olide, 4?,15-Dihydro C15H18O3 246.125594 NA MeJP NA NA +MJ014513 3-Oxo-1,4(15)-eudesmadien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014514 3-Oxo-1,4,11(13)-eudesmatrien-12,8-olide, 11?,13-Dihydro C15H18O3 246.125594 NA MeJP NA NA +MJ014515 3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid C15H18O3 246.125594 NA MeJP NA NA +MJ014516 3-Oxo-1,4-eudesmadien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014517 3-Oxo-1,5-eudesmadien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014518 3-Oxo-1,7(11)-eremophiladien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014519 3-Oxo-1,7(11)-eudesmadien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014520 3-Oxo-1,9,11(13)-eremophilatrien-12-oic acid C15H18O3 246.125594 NA MeJP NA NA +MJ014521 3-Oxo-4(15),10(14)-guaiadien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014522 3-Oxo-4,11(13)-eudesmadien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014523 3-Oxo-4,11(13)-guaiadien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014524 3-Oxo-4,11(13)-ivaxallaradien-12-oic acid C15H18O3 246.125594 NA MeJP NA NA +MJ014525 3-Oxo-5(10),6-pinguisadien-11,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014526 3-Oxo-9-guaien-12,6-olide, 11,13-Didehydro C15H18O3 246.125594 NA MeJP NA NA +MJ014527 4(15),10(14),11(13)-Guaiatrien-12,6-olide, 11?,13-Epoxide C15H18O3 246.125594 NA MeJP NA NA +MJ014528 4(15),9,11(13)-Guaiatrien-12,6-olide, 4?,15-Epoxide C15H18O3 246.125594 NA MeJP NA NA +MJ014529 4(15),9,11(13)-Guaiatrien-12,6-olide, 9?,10?-Epoxide C15H18O3 246.125594 NA MeJP NA NA +MJ014530 4,15-Epoxyfuranoeremophil-1(10)-en-6-ol C15H18O3 246.125594 NA MeJP NA NA +MJ014531 4,5-Epoxy-10(14),11(13)-guaiadien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014532 4,5-Secofuranoeremophila-5,9-dien-4-one; 1-Hydroxy, cyclic hemiacetal C15H18O3 246.125594 NA MeJP NA NA +MJ014533 4,5-Secofuranoeremophila-5,9-dien-4-one; 1?-Hydroxy C15H18O3 246.125594 NA MeJP NA NA +MJ014534 4,5:8,12-Diepoxy-1(10),7,11-germacratrien-6-one C15H18O3 246.125594 NA MeJP NA NA +MJ014535 4,8-Dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoic acid, Me ester C15H18O3 246.125594 NA MeJP NA NA +MJ014536 4-Hydroxy-2,10(14),11(13)-guaiatrien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014537 4-Hydroxy-7,9,11(13)-daucatrien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014538 4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014539 4-Oxo-1,11(13)-pseudoguaiadien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014540 4-Oxo-2,11(13)-pseudoguaiadien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014541 4-Oxo-2,11(13)-pseudoguaiadien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014542 4-[4-Methyl-5-(4-methyl-2-furanyl)-4-pentenyl]-2(5H)-furanone C15H18O3 246.125594 NA MeJP NA NA +MJ014543 5,14-Epoxy-2,5,7(14)-illudalatrien-4-oic acid C15H18O3 246.125594 NA MeJP NA NA +MJ014544 5,7-Dihydroxy-2,2-dimethyl-6-vinylchromene; Di-Me ether C15H18O3 246.125594 NA MeJP NA NA +MJ014545 5,7-Dihydroxy-2,2-dimethyl-8-vinyl-2H-1-benzopyran; Di-Me ether C15H18O3 246.125594 NA MeJP NA NA +MJ014546 5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acid C15H18O3 246.125594 NA MeJP NA NA +MJ014547 5-(2-Propenyl)-1,2,4-benzenetriol; 1,2-Methylene, 4-O-(3-methyl-2-butenyl) C15H18O3 246.125594 NA MeJP NA NA +MJ014548 5-Hydroxy-1(10),4(15),11(13)-germacratrien-12,8-olide, 5-Ketone C15H18O3 246.125594 NA MeJP NA NA +MJ014549 5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran C15H18O3 246.125594 NA MeJP NA NA +MJ014550 5-Hydroxy-4(15),7(11),8-eudesmatrien-12,8-olide; 5?-form C15H18O3 246.125594 NA MeJP NA NA +MJ014551 5-Oxojasoniolide C15H18O3 246.125594 NA MeJP NA NA +MJ014552 6,11-Epoxy-5,10-pinguisadien-15,12-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014553 6,12-Epoxy-6,9,11-pseudoguaiatrien-8-one, 9?,10?-Epoxide C15H18O3 246.125594 NA MeJP NA NA +MJ014554 6-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014555 6-Hydroxyfuranoeremophil-1(10)-en-9-one C15H18O3 246.125594 NA MeJP NA NA +MJ014556 6-Hydroxyfuranoeremophil-9-en-1-one C15H18O3 246.125594 NA MeJP NA NA +MJ014557 6-Hydroxyfuranoeremophilan-9-one, 6-Ketone C15H18O3 246.125594 NA MeJP NA NA +MJ014558 7,11-Chiloscyphadiene-2,7,9-trione C15H18O3 246.125594 NA MeJP NA NA +MJ014559 7-(3-Furanyl)-3,9-dimethyl-1-oxaspiro[4.5]dec-6-en-2-one C15H18O3 246.125594 NA MeJP NA NA +MJ014560 7-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014561 7-Hydroxy-9-oxo-1,3,5,10-bisabolatetraen-15-al C15H18O3 246.125594 NA MeJP NA NA +MJ014562 7-Oxo-5,8-drimadien-11,12-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014563 8,12-Epoxy-1(10),4,7,11-germacratetraen-15-oic acid C15H18O3 246.125594 NA MeJP NA NA +MJ014564 8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014565 8-Hydroxy-1,4(15),7(11)-eudesmatrien-12,8-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014566 8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014567 8-Hydroxy-4(15),11(13),10(14)-guaiatrien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014568 8-Hydroxypegolettiolide C15H18O3 246.125594 NA MeJP NA NA +MJ014569 8-Oxo-1(10),4,11(13)-germacratrien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014570 8-Oxo-1(10),4,7(11)-germacratrien-12,6-olide C15H18O3 246.125594 NA MeJP NA NA +MJ014571 9,11(13)-Eremophiladien-12,8-olide, 3-Oxo C15H18O3 246.125594 NA MeJP NA NA +MJ014572 9-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 9-Ketone C15H18O3 246.125594 NA MeJP NA NA +MJ014573 9-Hydroxy-4,11(13)-eudesmadien-12,6-olide, 9-Ketone C15H18O3 246.125594 NA MeJP NA NA +MJ014574 ?-Cannabispiranol; 2,3-Didehydro C15H18O3 246.125594 NA MeJP NA NA +MJ014575 ?-Cannabispiranol; 4-Ketone C15H18O3 246.125594 NA MeJP NA NA +MJ014576 Aquatolide C15H18O3 246.125594 NA MeJP NA NA +MJ014577 Asteriscanolide; 6,7,9,10-Tetradehydro C15H18O3 246.125594 NA MeJP NA NA +MJ014578 Asteriscunolide C15H18O3 246.125594 NA MeJP NA NA +MJ014579 Athanasin C15H18O3 246.125594 NA MeJP NA NA +MJ014580 Bullerone C15H18O3 246.125594 NA MeJP NA NA +MJ014581 Cacalolide C15H18O3 246.125594 NA MeJP NA NA +MJ014582 Cacalone C15H18O3 246.125594 NA MeJP NA NA +MJ014583 Calomelanolactone C15H18O3 246.125594 NA MeJP NA NA +MJ014584 Chanootin C15H18O3 246.125594 NA MeJP NA NA +MJ014585 Chloranthalactone D C15H18O3 246.125594 NA MeJP NA NA +MJ014586 Cinariolide; 6,14-Epoxide C15H18O3 246.125594 NA MeJP NA NA +MJ014587 Citreobenzofuran B C15H18O3 246.125594 NA MeJP NA NA +MJ014588 Curcolone C15H18O3 246.125594 NA MeJP NA NA +MJ014589 Cybrodol, 1,1'-Dialdehyde C15H18O3 246.125594 NA MeJP NA NA +MJ014590 Drupanin; Me ester C15H18O3 246.125594 NA MeJP NA NA +MJ014591 Freelingnite C15H18O3 246.125594 NA MeJP NA NA +MJ014592 Furanoeremophilan-14,6-olide; 6?-form C15H18O3 246.125594 NA MeJP NA NA +MJ014593 Hanegoketrial C15H18O3 246.125594 NA MeJP NA NA +MJ014594 Hibiscone A; 9-Oxo C15H18O3 246.125594 NA MeJP NA NA +MJ014595 Illicinone A C15H18O3 246.125594 NA MeJP NA NA +MJ014596 Ipomeabisfuran C15H18O3 246.125594 NA MeJP NA NA +MJ014597 Irofulven C15H18O3 246.125594 NA MeJP NA NA +MJ014598 Isocannabispiran C15H18O3 246.125594 NA MeJP NA NA +MJ014599 Isofischeric acid C15H18O3 246.125594 NA MeJP NA NA +MJ014600 Isolinderalactone; 3,4?-Dihydro C15H18O3 246.125594 NA MeJP NA NA +MJ014601 Lacinilene B C15H18O3 246.125594 NA MeJP NA NA +MJ014602 Lacinilene C C15H18O3 246.125594 NA MeJP NA NA +MJ014603 Lagopodin A C15H18O3 246.125594 NA MeJP NA NA +MJ014604 Lasiosperman; 4-Oxo C15H18O3 246.125594 NA MeJP NA NA +MJ014605 Liguhodgsonal, 15-Carboxylic acid, Me ester C15H18O3 246.125594 NA MeJP NA NA +MJ014606 Loxoprofen C15H18O3 246.125594 NA MeJP NA NA +MJ014607 Lumisantonin C15H18O3 246.125594 NA MeJP NA NA +MJ014608 Manicol C15H18O3 246.125594 NA MeJP NA NA +MJ014609 Melicophyllone A C15H18O3 246.125594 NA MeJP NA NA +MJ014610 Morinin A C15H18O3 246.125594 NA MeJP NA NA +MJ014611 Nidulol; 5-Ketone C15H18O3 246.125594 NA MeJP NA NA +MJ014612 Parvifloral C15H18O3 246.125594 NA MeJP NA NA +MJ014613 Pleurotellol C15H18O3 246.125594 NA MeJP NA NA +MJ014614 Ratibinolide C15H18O3 246.125594 NA MeJP NA NA +MJ014615 Ryomenin C15H18O3 246.125594 NA MeJP NA NA +MJ014616 Shizukanolide; 13-Hydroxy C15H18O3 246.125594 NA MeJP NA NA +MJ014617 Smyrnicordiolide C15H18O3 246.125594 NA MeJP NA NA +MJ014618 Spirafolide C15H18O3 246.125594 NA MeJP NA NA +MJ014619 Tricycloillicinone C15H18O3 246.125594 NA MeJP NA NA +MJ014620 Virgauride C15H18O3 246.125594 NA MeJP NA NA +MJ014621 Virgauronin C15H18O3 246.125594 NA MeJP NA NA +MJ014622 Xanthipungolide C15H18O3 246.125594 NA MeJP NA NA +MJ014623 Yantianmasu A C15H18O3 246.125594 NA MeJP NA NA +MJ014624 Yantianmasu B C15H18O3 246.125594 NA MeJP NA NA +MJ014625 Yantianmasu C C15H18O3 246.125594 NA MeJP NA NA +MJ014626 Zedoarol C15H18O3 246.125594 NA MeJP NA NA +MetaCyc02245 α-santonin [] C15H18O3 246.125594 481-06-1 metacyc NA NA +C02206 alpha-Santonin C15H18O3 246.1256 NA KEGG NA NA +C09287 Achillin C15H18O3 246.1256 NA KEGG NA NA +C09292 Ambrosin C15H18O3 246.1256 NA KEGG NA NA +C09300 Aromaticin C15H18O3 246.1256 NA KEGG NA NA +C09394 Desacetoxymatricarin C15H18O3 246.1256 NA KEGG NA NA +C09476 7alpha-Hydroxydehydrocostus lactone C15H18O3 246.1256 NA KEGG NA NA +C09545 beta-Santonin C15H18O3 246.1256 NA KEGG NA NA +C09601 Xanthatin C15H18O3 246.1256 NA KEGG NA NA +C09605 Xerantholide C15H18O3 246.1256 NA KEGG NA NA +C09606 Zaluzanin C C15H18O3 246.1256 NA KEGG NA NA +C17085 Zederone C15H18O3 246.1256 NA KEGG NA NA +C17490 Zedoarol C15H18O3 246.1256 NA KEGG NA NA +C17912 Isozaluzanin C C15H18O3 246.1256 NA KEGG NA NA +C04137 N2-(D-1-Carboxyethyl)-L-arginine C9H18N4O4 246.1328 NA KEGG NA NA +C06655 L-N2-(2-Carboxyethyl)arginine C9H18N4O4 246.1328 NA KEGG NA NA +MJ014627 Arginine, N2-(2-Carboxyethyl) C9H18N4O4 246.132805 NA MeJP NA NA +MJ014628 Octopine C9H18N4O4 246.132805 NA MeJP NA NA +MJ014629 N2-(2-Carboxyethyl)arginine C9H18N4O4 246.132805 NA MeJP NA NA +MJ014630 N2-(D-1-Carboxyethyl)-L-arginine C9H18N4O4 246.132805 NA MeJP NA NA +MetaCyc02246 L-N2-(2-carboxyethyl)arginine [] C9H18N4O4 246.132805 NA metacyc NA NA +MetaCyc02247 D-octopine [N2-(1-Carboxyethyl)-L-arginine;Arginine, N2-(1-carboxyethyl)-, L-arginine;D-(+)-Octopine;N2-(1-carboxyethyl)-, (R)-L-arginine;N2-[(1R)-1-carboxyethyl]-L-Arginine;Octopine;N2-(D-1-carboxyethyl)-L-arginine;] C9H18N4O4 246.132805 34522-32-2 metacyc NA NA +C09213 Hypaphorine C14H18N2O2 246.1368 NA KEGG NA NA +MJ014631 6,7-Dihydroxy-1-methyl-?-carboline; 1R,2,3,4-Tetrahydro, di-Me ether C14H18N2O2 246.136827 NA MeJP NA NA +MJ014632 Camoensine; 12?-Hydroxy C14H18N2O2 246.136827 NA MeJP NA NA +MJ014633 Hypaphorine C14H18N2O2 246.136827 NA MeJP NA NA +MJ014634 N-[2-(2,3,7,8-Tetrahydro-1H-furo[2,3-g]indol-1-yl)ethyl]acetamide C14H18N2O2 246.136827 NA MeJP NA NA +MJ014635 Nefiracetam C14H18N2O2 246.136827 NA MeJP NA NA +MJ014636 Parsalmide C14H18N2O2 246.136827 NA MeJP NA NA +MJ014637 Quinprenaline C14H18N2O2 246.136827 NA MeJP NA NA +MJ014638 Tryptophan, Na,Na-Di-Me, Me ester C14H18N2O2 246.136827 NA MeJP NA NA +C02628 2-Deoxystreptidine C8H18N6O3 246.144 NA KEGG NA NA +HMDB00413 3-Hydroxydodecanedioic acid C12H22O5 246.14671 http://www.hmdb.ca/metabolites/HMDB00413 HMDB NA NA +HMDB00413 3-Hydroxydodecanedioic acid C12H22O5 246.14671 HMDB00413 PFEM_hmdb_metabocards_official NA NA +MJ014639 2,6-Dideoxy-3-C-methyl-ribo-hexose, 4-(3-Methylbutanoyl) C12H22O5 246.146723 NA MeJP NA NA +MJ014640 Malic acid, Dibutyl ester C12H22O5 246.146723 NA MeJP NA NA +MJ014641 Narbosine A C12H22O5 246.146723 NA MeJP NA NA +HMDB00413 3-Hydroxydodecanedioic acid C12H22O5 246.146729 NA HMDB2010 NA NA +MJ014642 6,7-Diisopropyl-2,4-pteridinediamine C12H18N6 246.159294 NA MeJP NA NA +MJ014643 11-Hexadecene-7,9-diynoic acid C16H22O2 246.161979 NA MeJP NA NA +MJ014644 2-(2-Butenyl)benzenehexanoic acid C16H22O2 246.161979 NA MeJP NA NA +MJ014645 2-(3,7-Dimethyl-2,6-octadienyl)-1,4-benzenediol C16H22O2 246.161979 NA MeJP NA NA +MJ014646 2-Hydroxy-1,4,6-eudesmatrien-3-one; Me ether C16H22O2 246.161979 NA MeJP NA NA +MJ014647 3,8-Calamenenediol, 8-Ketone, 3-Me ether C16H22O2 246.161979 NA MeJP NA NA +MJ014648 4,7,10,13-Hexadecatetraen-15-olide C16H22O2 246.161979 NA MeJP NA NA +MJ014649 8,12-Epoxy-1(10),4,7,11-germacratetraen-2-ol, Me ether C16H22O2 246.161979 NA MeJP NA NA +MJ014650 Aspergeigeric acid; Me ester C16H22O2 246.161979 NA MeJP NA NA +MJ014651 Chamaecynenol; Ac C16H22O2 246.161979 NA MeJP NA NA +MJ014652 Gloeophyllol B C16H22O2 246.161979 NA MeJP NA NA +MJ014653 Mexoprofen C16H22O2 246.161979 NA MeJP NA NA +MJ014654 Nidorellaurinic acid; Me ester C16H22O2 246.161979 NA MeJP NA NA +MJ014655 Primnatrienone; 6-Methoxy C16H22O2 246.161979 NA MeJP NA NA +MJ014656 Pterosin Z; 4-Me ether C16H22O2 246.161979 NA MeJP NA NA +MJ014657 Shogaol; Demethoxy C16H22O2 246.161979 NA MeJP NA NA +MJ014658 Sporochnol C C16H22O2 246.161979 NA MeJP NA NA +C10793 Geranylhydroquinone C16H22O2 246.162 NA KEGG NA NA +CJpos0620 Isovalerylcarnitine [(M+H)]+ (13C) C1113CH24NO4 246.165475 C18rt(min)=5.65 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0621 2-methylbutyroylcarnitine [(M+H)]+ (13C) C1113CH24NO4 246.165475 C18rt(min)=5.55 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0620 Isovalerylcarnitine [(M+H)]+ (13C) C1113CH24NO4 246.165475 C18rt(min)=5.65 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0621 2-methylbutyroylcarnitine [(M+H)]+ (13C) C1113CH24NO4 246.165475 C18rt(min)=5.55 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C07528 Mepivacaine C15H22N2O 246.1732 NA KEGG NA NA +C10764 5,6-Dehydrolupanine C15H22N2O 246.1732 NA KEGG NA NA +C10775 Multiflorine C15H22N2O 246.1732 NA KEGG NA NA +MJ014659 3-(2-Pyrrolidinyl)pyridine, N-Hexanoyl C15H22N2O 246.173213 NA MeJP NA NA +MJ014660 5,6-Dehydrolupanine C15H22N2O 246.173213 NA MeJP NA NA +MJ014661 Alkaloid LC2 C15H22N2O 246.173213 NA MeJP NA NA +MJ014662 Alkaloid LV1 C15H22N2O 246.173213 NA MeJP NA NA +MJ014663 Aphyllidine C15H22N2O 246.173213 NA MeJP NA NA +MJ014664 Darvasine C15H22N2O 246.173213 NA MeJP NA NA +MJ014665 Isoleontalbine C15H22N2O 246.173213 NA MeJP NA NA +MJ014666 Lehmannine C15H22N2O 246.173213 NA MeJP NA NA +MJ014667 Leontalbine C15H22N2O 246.173213 NA MeJP NA NA +MJ014668 Leontalbinine C15H22N2O 246.173213 NA MeJP NA NA +MJ014669 Lupinus Alkaloid P1 C15H22N2O 246.173213 NA MeJP NA NA +MJ014670 Mepivacaine C15H22N2O 246.173213 NA MeJP NA NA +MJ014671 Milnacipran C15H22N2O 246.173213 NA MeJP NA NA +MJ014672 Monspessulanine C15H22N2O 246.173213 NA MeJP NA NA +MJ014673 Multiflorine C15H22N2O 246.173213 NA MeJP NA NA +MJ014674 Piquindone C15H22N2O 246.173213 NA MeJP NA NA +MJ014675 Sophocarpine C15H22N2O 246.173213 NA MeJP NA NA +MJ014676 Virgilidone; Didehydro, N-(3-Butenyl) C15H22N2O 246.173213 NA MeJP NA NA +MJ014677 Quinelorane C14H22N4 246.184446 NA MeJP NA NA +MJ014678 1,4,9-Heptadecatrien-6-yn-3-ol C17H26O 246.198365 NA MeJP NA NA +MJ014679 14,15,16-Trinor-8(17),11-labdadien-13-al C17H26O 246.198365 NA MeJP NA NA +MJ014680 16-Heptadecene-4,6-diyn-8-ol C17H26O 246.198365 NA MeJP NA NA +MJ014681 2-(1,12-Tridecadienyl)furan C17H26O 246.198365 NA MeJP NA NA +MJ014682 2-(12-Tridecynyl)furan C17H26O 246.198365 NA MeJP NA NA +MJ014683 2-(2,12-Tridecadienyl)furan C17H26O 246.198365 NA MeJP NA NA +MJ014684 8,10,12,14-Heptadecatetraen-1-al C17H26O 246.198365 NA MeJP NA NA +MJ014685 9-Heptadecene-4,6-diyn-1-ol C17H26O 246.198365 NA MeJP NA NA +MJ014686 9-Heptadecene-4,6-diyn-8-ol C17H26O 246.198365 NA MeJP NA NA +MJ014687 14-Fluorotetradecanoic acid C14H27FO2 246.199508 NA MeJP NA NA +MJ014688 2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form, Dideoxy, 1',2'-didehydro C16H26N2 246.209598 NA MeJP NA NA +MJ014689 2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form, Dideoxy, 2',3'-didehydro C16H26N2 246.209598 NA MeJP NA NA +MJ014690 Aloperine; N-Me C16H26N2 246.209598 NA MeJP NA NA +MJ014691 Lycoserrine C16H26N2 246.209598 NA MeJP NA NA +MJ014692 Macleanine C16H26N2 246.209598 NA MeJP NA NA +MJ014693 Pimetine C16H26N2 246.209598 NA MeJP NA NA +HMDB03542 Dodecylbenzene C18H30 246.23476 http://www.hmdb.ca/metabolites/HMDB03542 HMDB NA NA +HMDB03542 Dodecylbenzene C18H30 246.23476 HMDB03542 PFEM_hmdb_metabocards_official NA NA +EUR400 Calcitriol F5 F5 246.236675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR400 Calcitriol F5 NA 246.236675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR400 Calcitriol F5 F5 246.236675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR400 Calcitriol F5 NA 246.236675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR400 Calcitriol F5 F5 246.236675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR400 Calcitriol F5 NA 246.236675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR400 Calcitriol F5 F5 246.236675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR400 Calcitriol F5 F5 246.236675 standards wishlist analysés sur QTOF HMDB NA NA +EUR400 Calcitriol F5 F5 246.236675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR400 Calcitriol F5 NA 246.236675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR400 Calcitriol F5 F5 246.236675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR400 Calcitriol F5 F5 246.236675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +3287 NA RGDF 246.60845 MH2+ Inhouse_peptide NA peptide +7696 ACE inhibitor from wakame AIYK 246.639 MH2+ Inhouse_peptide NA peptide +MJ014694 6-Bromo-5-chloro-2(3H)-benzoxazolone C7H3BrClNO2 246.903568 NA MeJP NA NA +MJ014695 (4-Nitrophenyl)arsonic acid C6H6AsNO5 246.946193 NA MeJP NA NA +C04205 N-(3,4-Dichlorophenyl)-malonamate C9H7Cl2NO3 246.9803 NA KEGG NA NA +MJ014696 N-Phosphotaurocyamine C3H10N3O6PS 247.002792 NA MeJP NA NA +MetaCyc02248 Nω-phosphohypotaurocyamine [[phosphonoamino-(2-sulfoethylamino)methylene]ammonium;] C3H10N3O6P1S1 247.002792 NA metacyc NA NA +MetaCyc02249 N-phosphotaurocyamine [taurocyamine phosphate;N(ω)-phosphotaurocyamine;] C3H10N3O6P1S1 247.002792 NA metacyc NA NA +C03149 N-Phosphotaurocyamine C3H10N3O6PS 247.0028 NA KEGG NA NA +PARAC021 Pyridoxal phosphate NA 247.0238 RT5.9 PFEM_hmdb_metabocards_urine NA urine +PARAC021 Pyridoxal phosphate NA 247.0238 RT5.9 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC021 Pyridoxal phosphate NA 247.0238 RT5.9 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC021 Pyridoxal phosphate NA 247.0238 RT5.9 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC021 Pyridoxal phosphate NA 247.0238 RT5.9 HMDB NA NA +PARAC021 Pyridoxal phosphate NA 247.0238 RT5.9 Inhouse_PFEM NA NA +PARAC021 Pyridoxal phosphate NA 247.0238 RT5.9 PFEM_hmdb_metabocards_blood NA blood +PARAC021 Pyridoxal phosphate NA 247.0238 RT5.9 PFEM_hmdb_metabocards_official NA NA +HMDB01491 Pyridoxal 5'-phosphate C8H10NO6P 247.024567 NA HMDB2010 NA NA +HMDB01491 Pyridoxal 5'-phosphate C8H10NO6P 247.02457 http://www.hmdb.ca/metabolites/HMDB01491 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01491 Pyridoxal 5'-phosphate C8H10NO6P 247.02457 http://www.hmdb.ca/metabolites/HMDB01491 HMDB NA NA +HMDB01491 Pyridoxal 5'-phosphate C8H10NO6P 247.02457 http://www.hmdb.ca/metabolites/HMDB01491 PFEM_hmdb_metabocards_blood NA blood +HMDB01491 Pyridoxal 5'-phosphate C8H10NO6P 247.02457 HMDB01491 PFEM_hmdb_metabocards_official NA NA +MJ014697 Pyridoxal phosphate C8H10NO6P 247.024573 NA MeJP NA NA +MetaCyc02250 pyridoxal 5'-phosphate [PLP;pyridoxal phosphate;pyridoxal-5P;pyridoxal 5-phosphate;pyridoxal-P;] C8H10N1O6P1 247.024574 54-47-7 metacyc NA NA +EUR071 vitamin B6 C8H10NO6P 247.0246 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR071 vitamin B6 C8H10NO6P 247.0246 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR071 vitamin B6 C8H10NO6P 247.0246 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR071 vitamin B6 C8H10NO6P 247.0246 Wishlist Inhousejuil11 NA NA +C00018 Pyridoxal phosphate C8H10NO6P 247.0246 NA KEGG NA NA +EUR296 Vitamin B6 C8H10NO6P 247.027375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR296 Vitamine B6 F1 NA 247.027375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR296 Vitamin B6 C8H10NO6P 247.027375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR296 Vitamine B6 F1 NA 247.027375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR296 Vitamin B6 C8H10NO6P 247.027375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR296 Vitamine B6 F1 NA 247.027375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR296 Vitamin B6 C8H10NO6P 247.027375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR296 Vitamin B6 C8H10NO6P 247.027375 standards wishlist analysés sur QTOF HMDB NA NA +EUR296 Vitamin B6 C8H10NO6P 247.027375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR296 Vitamine B6 F1 NA 247.027375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR296 Vitamin B6 C8H10NO6P 247.027375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR296 Vitamin B6 C8H10NO6P 247.027375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C11290 3-Chlorosalicylanilide C13H10ClNO2 247.04 NA KEGG NA NA +C11291 Transferred to D01060 C13H10ClNO2 247.04 NA KEGG NA NA +MJ014698 Zyzzin; 3,4-Dihydro, 4-hydroxy C11H9N3O2S 247.041547 NA MeJP NA NA +MJ014699 Emtricitabine C8H10FN3O3S 247.04269 NA MeJP NA NA +C12599 Emtricitabine C8H10FN3O3S 247.0427 NA KEGG NA NA +CJneg0464 Hippuric acid [(M-H)+(HCOONa)]- C10H9NNaO5 247.046225 C18rt(min)=5.87 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0464 Hippuric acid [(M-H)+(HCOONa)]- C10H9NNaO5 247.046225 C18rt(min)=5.87 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ014700 Zoniclezole C12H10ClN3O 247.051239 NA MeJP NA NA +MetaCyc02251 CPPU [N-(2-chloro-4-pyridyl)-N'-phenylurea;] C12H10N3O1CL1 247.05124 NA metacyc NA NA +MJ014701 1-(3,4-Dichlorophenyl)-2-(isopropylamino)ethanol C11H15Cl2NO 247.053069 NA MeJP NA NA +C11772 DCI C11H15Cl2NO 247.0531 NA KEGG NA NA +MJ014702 Nifurvidine C11H9N3O4 247.059305 NA MeJP NA NA +MJ014703 Tinidazole C8H13N3O4S 247.062676 NA MeJP NA NA +C14406 3-Nitrofluoranthene C16H9NO2 247.0633 NA KEGG NA NA +C14421 1-Nitropyrene C16H9NO2 247.0633 NA KEGG NA NA +C05931 N-Succinyl-L-glutamate C9H13NO7 247.0692 NA KEGG NA NA +MJ014704 5(4H)-Isoxazolone; 2H-Oxo-form, N-?-D-Glucopyranosyl C9H13NO7 247.069201 NA MeJP NA NA +MJ014705 Glutamic acid, N-(3-Carboxypropanoyl) C9H13NO7 247.069201 NA MeJP NA NA +MJ014706 N2-Succinyl-L-glutamate C9H13NO7 247.069201 NA MeJP NA NA +MetaCyc02252 N2-succinylglutamate [N2-Succinyl-L-glutamate;N2-succinylglutamatic acid;N2-succinylglutamic acid;] C9H13N1O7 247.069202 33981-72-5 metacyc NA NA +PJ000089 ND C8H13N3O6 247.0804 NA PeJP NA NA +PJ000090 GGD C8H13N3O6 247.0805 NA PeJP NA NA +CJpos0622 Phenylacetylglutamine [(M+H)-(NH3)]+ C13H14NO4 247.083875 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0622 Phenylacetylglutamine [(M+H)-(NH3)]+ C13H14NO4 247.083875 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ014707 Mimosamycin; O7-De-Me, O7-Et C13H13NO4 247.084457 NA MeJP NA NA +CJpos0623 Cinnamoylglycine [(M+H)+(CH3CN)]+ (13C) C1213CH15N2O3 247.103275 C18rt(min)=7.03 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0624 N-Acetyltryptophan isomer [(M+H)]+ (13C) C1213CH15N2O3 247.103275 C18rt(min)=7 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0625 N-Acetyltryptophan isomer [(M+H)]+ (13C) C1213CH15N2O3 247.103275 C18rt(min)=5.75 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0626 Phenylacetylglutamine [(M+H)-(H2O)]+ (13C) C1213CH15N2O3 247.103275 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0623 Cinnamoylglycine [(M+H)+(CH3CN)]+ (13C) C1213CH15N2O3 247.103275 C18rt(min)=7.03 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0624 N-Acetyltryptophan isomer [(M+H)]+ (13C) C1213CH15N2O3 247.103275 C18rt(min)=7 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0625 N-Acetyltryptophan isomer [(M+H)]+ (13C) C1213CH15N2O3 247.103275 C18rt(min)=5.75 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0626 Phenylacetylglutamine [(M+H)-(H2O)]+ (13C) C1213CH15N2O3 247.103275 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJneg0465 N-Acetyltryptophan isomer [(M-H)]- (13C) C1213CH13N2O3 247.104325 C18rt(min)=7 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0465 N-Acetyltryptophan isomer [(M-H)]- (13C) C1213CH13N2O3 247.104325 C18rt(min)=7 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +7834 ACE inhibitor TQ 247.105 immunomodulating Inhouse_peptide NA peptide +MJ014708 2-Hydroxy-2-methylpropanoic acid; Nitrile, O-?-D-glucopyranoside C10H17NO6 247.105587 NA MeJP NA NA +MetaCyc02253 linamarin [] C10H17N1O6 247.105587 554-35-8 metacyc NA NA +HMDB02095 Malonylcarnitine C10H17NO6 247.10559 http://www.hmdb.ca/metabolites/HMDB02095 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02095 Malonylcarnitine C10H17NO6 247.10559 http://www.hmdb.ca/metabolites/HMDB02095 HMDB NA NA +HMDB02095 Malonylcarnitine C10H17NO6 247.10559 NA ;SYN:beta-2-Amino-4-methylvaleric acid; L-beta-Leucine; beta-LeucineH2Blood Inhouse_peptide NA peptide +HMDB02095 Malonylcarnitine C10H17NO6 247.10559 http://www.hmdb.ca/metabolites/HMDB02095 PFEM_hmdb_metabocards_blood NA blood +HMDB02095 Malonylcarnitine C10H17NO6 247.10559 HMDB02095 PFEM_hmdb_metabocards_official NA NA +HMDB02095 Malonylcarnitine C10H17NO6 247.105591 NA HMDB2010 NA NA +C01594 Linamarin C10H17NO6 247.1056 NA KEGG NA NA +MJ014709 1-Isothiocyanato-9-(methylsulfinyl)nonane C11H21NOS2 247.106455 NA MeJP NA NA +MJ014710 Carbovir C11H13N5O2 247.106924 NA MeJP NA NA +MJ014711 Semustine C10H18ClN3O2 247.108754 NA MeJP NA NA +C07640 Methyl-CCNU C10H18ClN3O2 247.1088 NA KEGG NA NA +PJ000091 TQ C9H17N3O5 247.1168 NA PeJP NA NA +C10455 Fagaramide C14H17NO3 247.1208 NA KEGG NA NA +MJ014712 8-Azabicyclo[3.2.1]octane-2,3-diol, 2-Benzoyl C14H17NO3 247.120843 NA MeJP NA NA +MJ014713 8-Azabicyclo[3.2.1]octane-3,6-diol, O3-Benzoyl C14H17NO3 247.120843 NA MeJP NA NA +MJ014714 Fagaramide C14H17NO3 247.120843 NA MeJP NA NA +MJ014715 Phyllanthine C14H17NO3 247.120843 NA MeJP NA NA +CJpos0627 Asp-Leu Asp-Ile [(M+H)]+ (13C) C913CH19N2O5 247.124375 C18rt(min)=4.95 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0628 Glu-Val [(M+H)]+ (13C) C913CH19N2O5 247.124375 C18rt(min)=4.3 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0627 Asp-Leu § Asp-Ile [(M+H)]+ (13C) C913CH19N2O5 247.124375 C18rt(min)=4.95 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0628 Glu-Val [(M+H)]+ (13C) C913CH19N2O5 247.124375 C18rt(min)=4.3 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJneg0466 Asp-Leu / Asp-Ile [(M-H)]- (13C) C913CH17N2O5 247.125525 C18rt(min)=4.95 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0467 Glu-Val [(M-H)]- (13C) C913CH17N2O5 247.125525 C18rt(min)=4.4 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0466 Asp-Leu / Asp-Ile [(M-H)]- (13C) C913CH17N2O5 247.125525 C18rt(min)=4.95 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0467 Glu-Val [(M-H)]- (13C) C913CH17N2O5 247.125525 C18rt(min)=4.4 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ014716 12-Cytisineacetic acid; Amide C13H17N3O2 247.132076 NA MeJP NA NA +MJ014717 Parbendazole C13H17N3O2 247.132076 NA MeJP NA NA +HMDB13127 Hydroxybutyrylcarnitine C11H21NO5 247.141968 NA HMDB2010 NA NA +MJ014718 Peramine C12H17N5O 247.14331 NA MeJP NA NA +PJ000092 TK C10H21N3O4 247.1532 NA PeJP NA NA +C07128 Meperidine C15H21NO2 247.1572 NA KEGG NA NA +C11792 Ketobemidone C15H21NO2 247.1572 NA KEGG NA NA +C14167 beta-Eucaine C15H21NO2 247.1572 NA KEGG NA NA +MJ014719 2,2,6-Trimethyl-4-piperidinol, O-Benzoyl C15H21NO2 247.157228 NA MeJP NA NA +MJ014720 3,3,5-Trimethylcyclohexanol, 3-Pyridinecarboxylate C15H21NO2 247.157228 NA MeJP NA NA +MJ014721 4-(3,7-Dimethyl-2,6-octadienyl)-1H-pyrrole-2-carboxylic acid C15H21NO2 247.157228 NA MeJP NA NA +MJ014722 Antibiotic NG 311 C15H21NO2 247.157228 NA MeJP NA NA +MJ014723 Ciclafrine C15H21NO2 247.157228 NA MeJP NA NA +MJ014724 Indenolol C15H21NO2 247.157228 NA MeJP NA NA +MJ014725 Isomolpan C15H21NO2 247.157228 NA MeJP NA NA +MJ014726 Ketobemidone C15H21NO2 247.157228 NA MeJP NA NA +MJ014727 Manicoline A C15H21NO2 247.157228 NA MeJP NA NA +MJ014728 Naxagolide C15H21NO2 247.157228 NA MeJP NA NA +MJ014729 Pethidine C15H21NO2 247.157228 NA MeJP NA NA +MJ014730 Phlegmariurine A C15H21NO2 247.157228 NA MeJP NA NA +MJ014731 Phlegmariurine B C15H21NO2 247.157228 NA MeJP NA NA +MJ014732 Prodilidine C15H21NO2 247.157228 NA MeJP NA NA +MJ014733 Tolpronine C15H21NO2 247.157228 NA MeJP NA NA +MJ014734 4-(1-Aminoethyl)-N-4-pyridinylcyclohexanecarboxamide C14H21N3O 247.168462 NA MeJP NA NA +C09883 Lycopodine C16H25NO 247.1936 NA KEGG NA NA +C17091 alpha-Sanshool C16H25NO 247.1936 NA KEGG NA NA +MJ014735 1-(5-Methyl-3-pyridinyl)-1-decanone C16H25NO 247.193614 NA MeJP NA NA +MJ014736 10-Isocyano-5-cadinen-4-ol C16H25NO 247.193614 NA MeJP NA NA +MJ014737 2,4,8,10-Dodecatetraenoic acid; N-Isobutylamide C16H25NO 247.193614 NA MeJP NA NA +MJ014738 2,4,8,11-Dodecatetraenoic acid, 2-Methylpropylamide C16H25NO 247.193614 NA MeJP NA NA +MJ014739 2,6,8,10-Dodecatetraenoic acid, 2-Methylpropylamide C16H25NO 247.193614 NA MeJP NA NA +MJ014740 5,15-Oxidolycopodane C16H25NO 247.193614 NA MeJP NA NA +MJ014741 6-Amino-5,6,7,8-tetrahydro-1-naphthalenol, N,N-Dipropyl C16H25NO 247.193614 NA MeJP NA NA +MJ014742 7-Amino-5,6,7,8-tetrahydro-1-naphthalenol, N,N-Dipropyl C16H25NO 247.193614 NA MeJP NA NA +MJ014743 7-Amino-5,6,7,8-tetrahydro-2-naphthalenol, N,N-Dipropyl C16H25NO 247.193614 NA MeJP NA NA +MJ014744 7-Isocyanato-2,10-bisaboladiene C16H25NO 247.193614 NA MeJP NA NA +MJ014745 Axamide 1; 7,11-Didehydro C16H25NO 247.193614 NA MeJP NA NA +MJ014746 Butidrine C16H25NO 247.193614 NA MeJP NA NA +MJ014747 Fawcettidine; 5?-Alcohol C16H25NO 247.193614 NA MeJP NA NA +MJ014748 Lycopecurine C16H25NO 247.193614 NA MeJP NA NA +MJ014749 Lycopodine C16H25NO 247.193614 NA MeJP NA NA +MJ014750 Muscopyridine, 11-Hydroxy C16H25NO 247.193614 NA MeJP NA NA +MJ014751 Muscopyridine, 2-Hydroxy C16H25NO 247.193614 NA MeJP NA NA +MJ014752 Paniculine; Deacetoxy, 4,5-didehydro C16H25NO 247.193614 NA MeJP NA NA +MJ014753 Picenadol C16H25NO 247.193614 NA MeJP NA NA +MJ014754 Ptilocaulin C15H25N3 247.204847 NA MeJP NA NA +MJ014755 3-Dodecylpyridine C17H29N 247.229999 NA MeJP NA NA +MJ014756 1,1-Dibromo-1-chloro-2-propanone C3H3Br2ClO 247.823917 NA MeJP NA NA +MJ014757 1,1-Dibromo-3-chloro-2-propanone C3H3Br2ClO 247.823917 NA MeJP NA NA +MJ014758 1,3-Dibromo-1-chloro-2-propanone C3H3Br2ClO 247.823917 NA MeJP NA NA +C18141 Pentachlorobenzene C6HCl5 247.8521 NA KEGG NA NA +MJ014759 4,5-Dibromo-1H-pyrrole-2-carboxylic acid; Nitrile C5H2Br2N2 247.858473 NA MeJP NA NA +C06189 Cyclic 2,3-bisphospho-D-glycerate C3H6O9P2 247.9487 NA KEGG NA NA +MJ014760 Cyclic 2,3-bisphospho-D-glycerate C3H6O9P2 247.948704 NA MeJP NA NA +C04323 3,5-Dichloro-4-hydroxyphenylpyruvate C9H6Cl2O4 247.9643 NA KEGG NA NA +C08460 alpha-Terthienyl C12H8S3 247.9788 NA KEGG NA NA +MJ014761 2,2':5',2''-Terthiophene C12H8S3 247.978812 NA MeJP NA NA +MJ014762 5'-(1-Propynyl)[2,2'-bithiophene]-5-carboxylic acid C12H8O2S2 247.99657 NA MeJP NA NA +MJ014763 2-Bromo-3-(chloromethylene)-7-methyl-1,6-octadiene C10H14BrCl 247.99674 NA MeJP NA NA +MJ014764 3-(Bromomethylene)-2-chloro-7-methyl-1,6-octadiene C10H14BrCl 247.99674 NA MeJP NA NA +MJ014765 6-(Bromomethylene)-3-chloro-2-methyl-1,7-octadiene C10H14BrCl 247.99674 NA MeJP NA NA +MJ014766 6-Bromo-2-chloro-7-methyl-3-methylene-1,6-octadiene C10H14BrCl 247.99674 NA MeJP NA NA +MJ014767 6-Bromo-8-chloro-1,3-ochtodiene C10H14BrCl 247.99674 NA MeJP NA NA +MJ014768 2,3,5-Tris(methylthio)-1,4-benzenediol C9H12O2S3 247.999941 NA MeJP NA NA +C14404 4-(2,4-Dichlorophenoxy)butyric acid C10H10Cl2O3 248.0007 NA KEGG NA NA +MJ014769 1-Chloro-4-[5-(1,3-pentadiynyl)-2-thienyl]-3-butyn-2-ol C13H9ClOS 248.006263 NA MeJP NA NA +MJ014770 1-Chloro-6-[5-(1-propynyl)-2-thienyl]-3,5-hexadiyn-2-ol C13H9ClOS 248.006263 NA MeJP NA NA +MJ014771 4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol; 2-Chloro C13H9ClOS 248.006263 NA MeJP NA NA +MJ014772 6-[5-(1-Propynyl)-2-thienyl]-3,5-hexadiyn-1-ol; 2-Chloro C13H9ClOS 248.006263 NA MeJP NA NA +C11007 Linuron C9H10Cl2N2O2 248.0119 NA KEGG NA NA +MJ014773 Tenosal C12H8O4S 248.014329 NA MeJP NA NA +MJ014774 Unsym-bis(4'-chlorophenyl)ethylene C14H10Cl2 248.015955 NA MeJP NA NA +C06642 unsym-Bis(4'-chlorophenyl)ethylene C14H10Cl2 248.016 NA KEGG NA NA +C15083 1-Chloro-2-[1-(4-chlorophenyl)ethenyl]benzene C14H10Cl2 248.016 NA KEGG NA NA +MJ014775 2-Hydroxy-4-(trifluoromethyl)benzoic acid; Ac C10H7F3O4 248.029643 NA MeJP NA NA +MJ014776 2-Acetyl-3,5,8-trihydroxy-1,4-naphthoquinone C12H8O6 248.032087 NA MeJP NA NA +MJ014777 2-Carboxyethenyl-5,7-dihydroxychromone C12H8O6 248.032087 NA MeJP NA NA +MJ014778 6-Acetyl-2,5,7-trihydroxy-1,4-naphthoquinone C12H8O6 248.032087 NA MeJP NA NA +MJ014779 6-Acetyl-2,5,8-trihydroxy-1,4-naphthoquinone C12H8O6 248.032087 NA MeJP NA NA +MJ014780 Brevifolin C12H8O6 248.032087 NA MeJP NA NA +MJ014781 4-[5'-Methyl-[2,2'-bithiophen]-5-yl]-3-butyne-1,2-diol; 2-Deoxy C13H12OS2 248.032956 NA MeJP NA NA +MJ014782 5'-(1-Butynyl)[2,2'-bithiophene]-5-methanol C13H12OS2 248.032956 NA MeJP NA NA +MJ014783 Choline; O-Nitrate, perchlorate C5H13ClN2O7 248.041128 NA MeJP NA NA +C04621 (E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide C11H8N2O5 248.0433 NA KEGG NA NA +C04622 (Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide C11H8N2O5 248.0433 NA KEGG NA NA +MJ014784 Nimazone C11H9ClN4O 248.046488 NA MeJP NA NA +MJ014785 Benz[b]indeno[1,2-e]pyran-6,11-dione C16H8O3 248.047344 NA MeJP NA NA +MetaCyc02254 pentane-1,3,4,5-tetracarboxylate [] C9H12O8 248.053217 NA metacyc NA NA +MJ014786 Indigoidin C10H8N4O4 248.054554 NA MeJP NA NA +MJ014787 Nitrefazole C10H8N4O4 248.054554 NA MeJP NA NA +C00647 Pyridoxamine phosphate C8H13N2O5P 248.0562 NA KEGG NA NA +C00648 Thiol-blocking reagent C8H13N2O5P 248.0562 NA KEGG NA NA +MJ014788 Pyridoxamine phosphate C8H13N2O5P 248.056208 NA MeJP NA NA +MJ014789 Pyridoxamine; 5'-Phosphate C8H13N2O5P 248.056208 NA MeJP NA NA +MetaCyc02255 pyridoxamine 5'-phosphate [pyridoxamine phosphate;] C8H13N2O5P1 248.056208 529-96-4 metacyc NA NA +HMDB01555 Pyridoxamine 5'-phosphate C8H13N2O5P 248.05621 http://www.hmdb.ca/metabolites/HMDB01555 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01555 Pyridoxamine 5'-phosphate C8H13N2O5P 248.05621 http://www.hmdb.ca/metabolites/HMDB01555 HMDB NA NA +HMDB01555 Pyridoxamine 5'-phosphate C8H13N2O5P 248.05621 http://www.hmdb.ca/metabolites/HMDB01555 PFEM_hmdb_metabocards_blood NA blood +HMDB01555 Pyridoxamine 5'-phosphate C8H13N2O5P 248.05621 HMDB01555 PFEM_hmdb_metabocards_official NA NA +HMDB01555 Pyridoxamine 5'-phosphate C8H13N2O5P 248.056213 NA HMDB2010 NA NA +MJ014790 Indolo[2,1-b]quinazoline-6,12-dione C15H8N2O2 248.058577 NA MeJP NA NA +C10742 Tryptanthrine C15H8N2O2 248.0586 NA KEGG NA NA +C07666 Dapsone C12H12N2O2S 248.0619 NA KEGG NA NA +MJ014791 3,3'-Diaminodiphenyl sulfide; S,S-Dioxide C12H12N2O2S 248.061948 NA MeJP NA NA +MJ014792 4,4'-Diaminodiphenyl sulfone C12H12N2O2S 248.061948 NA MeJP NA NA +MJ014793 Enoximone C12H12N2O2S 248.061948 NA MeJP NA NA +MJ014794 Phenylsulfamic acid; Anilide C12H12N2O2S 248.061948 NA MeJP NA NA +MJ014795 Sulfanilanilide C12H12N2O2S 248.061948 NA MeJP NA NA +MetaCyc02256 indole carboxyl tetrahydro-thiazole [] C12H12N2O2S1 248.061948 NA metacyc NA NA +HMDB11163 L-beta-aspartyl-L-aspartic acid C8H12N2O7 248.064453 NA HMDB2010 NA NA +PJ000093 DD C8H12N2O7 248.0645 NA PeJP NA NA +MJ014796 Lepidopterin C9H8N6O3 248.065788 NA MeJP NA NA +MJ014797 10-Hydroxy-2,8-decadiene-4,6-diynoic acid, 8,9-Epoxide, Ac, Me ester C13H12O5 248.068473 NA MeJP NA NA +MJ014798 2,5,7-Trihydroxy-6-methyl-1,4-naphthoquinone; 2,7-Di-Me ether C13H12O5 248.068473 NA MeJP NA NA +MJ014799 2,5-Dihydro-4-hydroxy-5-oxo-3-phenyl-2-furanpropanoic acid C13H12O5 248.068473 NA MeJP NA NA +MJ014800 2,6,7-Trihydroxy-3-methyl-1,4-naphthoquinone; 6,7-Di-Me ether C13H12O5 248.068473 NA MeJP NA NA +MJ014801 2-Acetyl-2,3-epoxy-4,8-dihydroxy-3-methyl-1-tetralone C13H12O5 248.068473 NA MeJP NA NA +MJ014802 4a,10a-Dihydro-7,9-dihydroxy-4-methyl-10H-pyrano[3,2-b][1]benzopyran-2-one C13H12O5 248.068473 NA MeJP NA NA +MJ014803 5,6,7-Trihydroxy-2-naphthoic acid; 5,7-Di-Me ether C13H12O5 248.068473 NA MeJP NA NA +MJ014804 5-(2,5-Dihydroxyphenyl)-3-furancarboxylic acid; 2'-Me ether, Me ester C13H12O5 248.068473 NA MeJP NA NA +MJ014805 5-Hydroxy-7-hydroxymethyl-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid; 13-Aldehyde C13H12O5 248.068473 NA MeJP NA NA +MJ014806 6-Ethyl-2,5,7-trihydroxy-3-methyl-1,4-naphthoquinone C13H12O5 248.068473 NA MeJP NA NA +MJ014807 Acuminatolide C13H12O5 248.068473 NA MeJP NA NA +MJ014808 Arthropsolide D; 7,10-Diketone C13H12O5 248.068473 NA MeJP NA NA +MJ014809 Arthropsolide D; 8-Epimer, 7,10-diketone C13H12O5 248.068473 NA MeJP NA NA +MJ014810 Cassiachromone; 12-Hydroxy C13H12O5 248.068473 NA MeJP NA NA +MJ014811 Coriandrone E C13H12O5 248.068473 NA MeJP NA NA +MJ014812 Neuchromenin C13H12O5 248.068473 NA MeJP NA NA +CJpos0629 Porphobilinogen [(M+Na)]+ C10H14N2NaO4 248.076775 C18rt(min)=4.85 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0629 Porphobilinogen [(M+Na)]+ C10H14N2NaO4 248.076775 C18rt(min)=4.85 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB06878 S-Acetyldihydrolipoamide-E C10H18NO2S2 248.0779 http://www.hmdb.ca/metabolites/HMDB06878 HMDB NA NA +HMDB06878 S-Acetyldihydrolipoamide-E C10H18NO2S2 248.0779 HMDB06878 PFEM_hmdb_metabocards_official NA NA +C05832 5-Hydroxyindoleacetylglycine C12H12N2O4 248.0797 NA KEGG NA NA +MJ014813 Mimosamycin; 4-Amino C12H12N2O4 248.079706 NA MeJP NA NA +MJ014814 5-Hydroxyindoleacetylglycine C12H12N2O4 248.079706 NA MeJP NA NA +HMDB04185 5-Hydroxyindoleacetylglycine C12H12N2O4 248.07971 http://www.hmdb.ca/metabolites/HMDB04185 HMDB NA NA +HMDB04185 5-Hydroxyindoleacetylglycine C12H12N2O4 248.07971 HMDB04185 PFEM_hmdb_metabocards_official NA NA +HMDB04185 5-Hydroxyindoleacetylglycine C12H12N2O4 248.079712 NA HMDB2010 NA NA +MJ014815 Pyrimethamine C12H13ClN4 248.082874 NA MeJP NA NA +C07391 Pyrimethamine C12H13ClN4 248.0829 NA KEGG NA NA +C07392 Transferred to D00489 C12H13ClN4 248.0829 NA KEGG NA NA +MJ014816 3-Benzoyl-1(4H)-naphthalenone C17H12O2 248.083729 NA MeJP NA NA +MJ014817 Ineupatoriol C14H16O2S 248.0871 NA MeJP NA NA +CJpos0630 Phenylacetylglutamine [(M+H)-(NH3)]+ (13C) C1213CH14NO4 248.087275 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0630 Phenylacetylglutamine [(M+H)-(NH3)]+ (13C) C1213CH14NO4 248.087275 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +7830 ACE inhibitor TE 248.089 ACE inhibitor Inhouse_peptide NA peptide +MJ014818 2-Methyl-3-(tetrahydro-2,3,5-trihydroxy-6-hydroxymethyl-2H-pyran-2-yl)-2-propenoic acid C10H16O7 248.089602 NA MeJP NA NA +MJ014819 4-C-Acetyl-6-deoxygalactonic acid, 2,3-Methylene, Me ester C10H16O7 248.089602 NA MeJP NA NA +MJ014820 3-[(1-Methylpropyl)dithio]-2-propen-1-ol, 2-Methylpropanoyl C11H20O2S2 248.090471 NA MeJP NA NA +MJ014821 6-(1-Oxopropyl)-2,4(1H,3H)-pteridinedione; 1,3-Di-Me C11H12N4O3 248.09094 NA MeJP NA NA +MJ014822 10H-Indolo[3,2-b]quinoline; 5H-form, 11-Hydroxy, 5-Me C16H12N2O 248.094963 NA MeJP NA NA +MJ014823 4-Quinazolinol; 3H-form, N-(2-Phenylethenyl)(Z-) C16H12N2O 248.094963 NA MeJP NA NA +MJ014824 Norisotuboflavine; 6-De-Me, 6-Ethyl C16H12N2O 248.094963 NA MeJP NA NA +MJ014825 Tuboflavine C16H12N2O 248.094963 NA MeJP NA NA +MJ014826 Glypetelotine C13H16N2OS 248.098333 NA MeJP NA NA +CJpos0631 Creatinine (and isomer) [(2M+Na)]+ C8H14N6NaO2 248.099175 C18rt(min)=0.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0631 Creatinine (and isomer) [(2M+Na)]+ C8H14N6NaO2 248.099175 C18rt(min)=0.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +PJ000094 TE C9H16N2O6 248.1008 NA PeJP NA NA +MJ014827 Kijanose C9H16N2O6 248.100836 NA MeJP NA NA +MJ014828 Malioxamycin C9H16N2O6 248.100836 NA MeJP NA NA +HMDB00497 5,6-Dihydrouridine C9H16N2O6 248.10085 http://www.hmdb.ca/metabolites/HMDB00497 HMDB NA NA +HMDB00497 5,6-Dihydrouridine C9H16N2O6 248.10085 HMDB00497 PFEM_hmdb_metabocards_official NA NA +MJ014829 1,2,3,4-Naphthalenetetrol; Tetra-Me ether C14H16O4 248.104859 NA MeJP NA NA +MJ014830 1,4-Dihydro-10-hydroxy-?-1-propenyl-2,3-benzodioxocin-4-methanol C14H16O4 248.104859 NA MeJP NA NA +MJ014831 11-Hydroxy-13-nor-3-oxo-1,7(11)-eudesmadien-12,6-olide; 6?-form C14H16O4 248.104859 NA MeJP NA NA +MJ014832 13-Hydroxyripariochromene A; 7-Deoxy C14H16O4 248.104859 NA MeJP NA NA +MJ014833 2,4-Dihydroxy-3-prenylcinnamic acid C14H16O4 248.104859 NA MeJP NA NA +MJ014834 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]decane-3,4-diol C14H16O4 248.104859 NA MeJP NA NA +MJ014835 3,4-Dihydroxy-5-prenylcinnamic acid C14H16O4 248.104859 NA MeJP NA NA +MJ014836 3,7-Dihydroxy-4-isopropyl-6-methylcoumarin; 3-Me ether C14H16O4 248.104859 NA MeJP NA NA +MJ014837 3-Methyl-2-buten-1-ol; 3,4-Dihydroxy-E-cinnamoyl C14H16O4 248.104859 NA MeJP NA NA +MJ014838 3-Methyl-2-buten-1-ol; 3,4-Dihydroxy-Z-cinnamoyl C14H16O4 248.104859 NA MeJP NA NA +MJ014839 3-Methyl-3-buten-1-ol; 3,4-Dihydroxycinnamoyl(E-) C14H16O4 248.104859 NA MeJP NA NA +MJ014840 3-Methyl-3-buten-1-ol; 3,4-Dihydroxycinnamoyl(Z-) C14H16O4 248.104859 NA MeJP NA NA +MJ014841 4,9-Dimethyl-2,4,6,8,10-dodecapentaenedioic acid C14H16O4 248.104859 NA MeJP NA NA +MJ014842 4-Hydroxy-2-methoxy-5-(1-oxo-4-hexenyl)benzaldehyde C14H16O4 248.104859 NA MeJP NA NA +MJ014843 5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one C14H16O4 248.104859 NA MeJP NA NA +MJ014844 5,7-Dihydroxy-2-isopropyl-6-methyl-4H-1-benzopyran-4-one; 7-Me ether C14H16O4 248.104859 NA MeJP NA NA +MJ014845 5,7-Dihydroxy-2-isopropyl-8-methyl-4H-1-benzopyran-4-one; 7-Me ether C14H16O4 248.104859 NA MeJP NA NA +MJ014846 5-(2,4-Hexadienylidene)-2-oxo-6H-pyran-3-propanoic acid C14H16O4 248.104859 NA MeJP NA NA +MJ014847 5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 3-Me ether C14H16O4 248.104859 NA MeJP NA NA +MJ014848 5-Acetyl-2,3-dihydro-6,7-dihydroxy-2-isopropenylbenzofuran; 7-Me ether C14H16O4 248.104859 NA MeJP NA NA +MJ014849 6-Acetyl-2,3-dihydro-3,5-dihydroxy-2-isopropenylbenzofuran, 3-Me ether C14H16O4 248.104859 NA MeJP NA NA +MJ014850 6-Acetyl-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran; 8-Me ether C14H16O4 248.104859 NA MeJP NA NA +MJ014851 6-Acetyl-8-hydroxy-2,2-dimethyl-2H-1-benzopyran; 5-Hydroxy, 8-Me ether C14H16O4 248.104859 NA MeJP NA NA +MJ014852 7-Hydroxy-6-hydroxyacetyl-2,2-dimethyl-2H-benzopyran; 2'-Me ether C14H16O4 248.104859 NA MeJP NA NA +MJ014853 7-Hydroxy-6-hydroxyacetyl-2,2-dimethyl-2H-benzopyran; 7-Me ether C14H16O4 248.104859 NA MeJP NA NA +MJ014854 7-Hydroxy-6-prenylcoumarin; 2',3'-Dihydro, 3'-hydroxy C14H16O4 248.104859 NA MeJP NA NA +MJ014855 8-Acetyl-5,7-dihydroxy-2,2-dimethylchromene; 5-Me ether C14H16O4 248.104859 NA MeJP NA NA +MJ014856 Dasycarpol C14H16O4 248.104859 NA MeJP NA NA +MJ014857 Dykellic acid C14H16O4 248.104859 NA MeJP NA NA +MJ014858 Isohistiopterosin A C14H16O4 248.104859 NA MeJP NA NA +MJ014859 Microhelenin E C14H16O4 248.104859 NA MeJP NA NA +MJ014860 Microhelenin F C14H16O4 248.104859 NA MeJP NA NA +MJ014861 Mycorrhizin A, Dechloro C14H16O4 248.104859 NA MeJP NA NA +MJ014862 Olivetonide C14H16O4 248.104859 NA MeJP NA NA +MJ014863 Precitreobiphenyl C14H16O4 248.104859 NA MeJP NA NA +MJ014864 Pterosin C, 4-Carboxylic acid C14H16O4 248.104859 NA MeJP NA NA +MJ014865 Pyriculariol C14H16O4 248.104859 NA MeJP NA NA +MJ014866 Pyriculol C14H16O4 248.104859 NA MeJP NA NA +MJ014867 Remirol C14H16O4 248.104859 NA MeJP NA NA +MJ014868 Spiciferone B C14H16O4 248.104859 NA MeJP NA NA +MJ014869 Spiciferone C C14H16O4 248.104859 NA MeJP NA NA +C10487 Prenyl caffeate C14H16O4 248.1049 NA KEGG NA NA +C12456 3-Dimethylallyl-4-hydroxyphenylpyruvate C14H16O4 248.1049 NA KEGG NA NA +C16788 Pyriculol C14H16O4 248.1049 NA KEGG NA NA +C07423 Pentobarbital sodium C11H17N2O3 248.1137 NA KEGG NA NA +HMDB04081 6-Hydroxymelatonin C13H16N2O3 248.116089 NA HMDB2010 NA NA +HMDB04081 6-Hydroxymelatonin C13H16N2O3 248.11609 http://www.hmdb.ca/metabolites/HMDB04081 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04081 6-Hydroxymelatonin C13H16N2O3 248.11609 http://www.hmdb.ca/metabolites/HMDB04081 HMDB NA NA +HMDB04081 6-Hydroxymelatonin C13H16N2O3 248.11609 http://www.hmdb.ca/metabolites/HMDB04081 PFEM_hmdb_metabocards_blood NA blood +HMDB04081 6-Hydroxymelatonin C13H16N2O3 248.11609 HMDB04081 PFEM_hmdb_metabocards_official NA NA +MJ014870 12-Cytisineacetic acid C13H16N2O3 248.116092 NA MeJP NA NA +MJ014871 Abbeymycin C13H16N2O3 248.116092 NA MeJP NA NA +MJ014872 Cytisine, N-Acetoxy C13H16N2O3 248.116092 NA MeJP NA NA +MJ014873 Cytisine, N-Methoxycarbonyl C13H16N2O3 248.116092 NA MeJP NA NA +MJ014874 Gentiana Alkaloid I C13H16N2O3 248.116092 NA MeJP NA NA +MJ014875 Indorenate C13H16N2O3 248.116092 NA MeJP NA NA +MJ014876 Pheneturide, N-Ac C13H16N2O3 248.116092 NA MeJP NA NA +MJ014877 Profexalone C13H16N2O3 248.116092 NA MeJP NA NA +MJ014878 6-Hydroxymelatonin C13H16N2O3 248.116092 NA MeJP NA NA +MetaCyc02257 N-acetyl-D-tryptophan [] C13H16N2O3 248.116092 01/05/2280 metacyc NA NA +C05643 6-Hydroxymelatonin C13H16N2O3 248.1161 NA KEGG NA NA +PJ000095 VM C10H20N2O3S 248.1195 NA PeJP NA NA +MJ014879 Furodysinin, 14-Mercapto C15H20OS 248.123485 NA MeJP NA NA +MJ014880 2-Methyl-2-buten-1-ol, O-?-D-Glucopyranoside C11H20O6 248.125988 NA MeJP NA NA +MJ014881 2-Methyl-3-buten-2-ol; O-?-D-Glucopyranoside C11H20O6 248.125988 NA MeJP NA NA +MJ014882 3-Methyl-2-buten-1-ol; O-?-D-Glucopyranoside C11H20O6 248.125988 NA MeJP NA NA +MJ014883 Officinalisin C11H20O6 248.125988 NA MeJP NA NA +HMDB02053 Histidylproline diketopiperazine C12H16N4O2 248.127319 NA HMDB2010 NA NA +HMDB02053 Histidylproline diketopiperazine C12H16N4O2 248.12732 NA ;SYN:3,5-Diiodotyrocine; 3,5-Iodo-L-tyrosine; 3,5-L-Diiodotyrosine; 4-Hydroxy-3,5-diiodophenylalanine;L-3,5-DiioDOTyrosine; L-DiiodotyrosineH2Blood; Urine Inhouse_peptide NA peptide +MJ014884 Taloximine C12H16N4O2 248.127325 NA MeJP NA NA +HMDB02053 Histidylproline diketopiperazine C12H16N4O2 248.12733 http://www.hmdb.ca/metabolites/HMDB02053 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02053 Histidylproline diketopiperazine C12H16N4O2 248.12733 http://www.hmdb.ca/metabolites/HMDB02053 HMDB NA NA +HMDB02053 Histidylproline diketopiperazine C12H16N4O2 248.12733 http://www.hmdb.ca/metabolites/HMDB02053 PFEM_hmdb_metabocards_blood NA blood +HMDB02053 Histidylproline diketopiperazine C12H16N4O2 248.12733 HMDB02053 PFEM_hmdb_metabocards_official NA NA +MJ014885 3,4-Dihydroellipticine C17H16N2 248.131348 NA MeJP NA NA +MJ014886 Antibiotic 0089D C17H16N2 248.131348 NA MeJP NA NA +MJ014887 Brasilidine A C17H16N2 248.131348 NA MeJP NA NA +MJ014888 Flavopereirine; 6,7-Dihydro C17H16N2 248.131348 NA MeJP NA NA +3163 entherostatin APGPR 248.1315 MH2+ Inhouse_peptide NA peptide +HMDB06117 APGPR Enterostatin C21H36N8O6 248.1378935 MH2+ Inhouse_peptide NA peptide +C02771 1,2-Dihydrosantonin C15H20O3 248.1412 NA KEGG NA NA +C02773 1-Alkyl-sn-glycerol C3H7O3R 248.1412 NA KEGG NA NA +C07609 Parthenolide C15H20O3 248.1412 NA KEGG NA NA +C09301 Artabsin C15H20O3 248.1412 NA KEGG NA NA +C09345 Artemorin C15H20O3 248.1412 NA KEGG NA NA +C09378 Confertin C15H20O3 248.1412 NA KEGG NA NA +C09386 Damsin C15H20O3 248.1412 NA KEGG NA NA +C09440 Eupatolide C15H20O3 248.1412 NA KEGG NA NA +C09488 Ivalin C15H20O3 248.1412 NA KEGG NA NA +C09507 Micheliolide C15H20O3 248.1412 NA KEGG NA NA +C09534 Pseudoivalin C15H20O3 248.1412 NA KEGG NA NA +C09537 Quadrone C15H20O3 248.1412 NA KEGG NA NA +C09544 Santamarin C15H20O3 248.1412 NA KEGG NA NA +C09556 Tamaulipin A C15H20O3 248.1412 NA KEGG NA NA +C09562 Tomentosin C15H20O3 248.1412 NA KEGG NA NA +C09626 Canellal C15H20O3 248.1412 NA KEGG NA NA +C09660 Dehydrongaione C15H20O3 248.1412 NA KEGG NA NA +C09687 Illudin M C15H20O3 248.1412 NA KEGG NA NA +C13455 Abscisic aldehyde C15H20O3 248.1412 NA KEGG NA NA +HMDB01931 gamma-CEHC C15H20O3 248.14124 http://www.hmdb.ca/metabolites/HMDB01931 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01931 gamma-CEHC C15H20O3 248.14124 http://www.hmdb.ca/metabolites/HMDB01931 HMDB NA NA +HMDB01931 gamma-CEHC C15H20O3 248.14124 http://www.hmdb.ca/metabolites/HMDB01931 PFEM_hmdb_metabocards_blood NA blood +HMDB01931 gamma-CEHC C15H20O3 248.14124 HMDB01931 PFEM_hmdb_metabocards_official NA NA +MJ014889 1(10),11(13)-Eremophiladien-12,8-olide, 2?-Hydroxy C15H20O3 248.141244 NA MeJP NA NA +MJ014890 1(10),11(13)-Eremophiladien-12,8-olide, 3?-Hydroxy C15H20O3 248.141244 NA MeJP NA NA +MJ014891 1(10),3,11(13)-Guaiatrien-12,6-olide, 3?,4?-Epoxide, 11?,13-dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ014892 1,10-Epoxy-11(13)-eremophilen-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014893 1,10-Epoxy-3-guaien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014894 1,10-Epoxy-4,11(13)-germacradien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014895 1,10-Epoxy-8,9-aristolanedione C15H20O3 248.141244 NA MeJP NA NA +MJ014896 1,10-Epoxyfuranoeremophilan-6-ol C15H20O3 248.141244 NA MeJP NA NA +MJ014897 1,10:4,5:8,12-Triepoxy-7,11-germacradiene C15H20O3 248.141244 NA MeJP NA NA +MJ014898 1,2-Dihydroxy-1,3,5-herbertatrien-12-al C15H20O3 248.141244 NA MeJP NA NA +MJ014899 1,2-Epoxy-5,7,9-farnesatrien-15,1-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014900 1,3,11(13)-Elematrien-12,8-olide, 3,4-Epoxide C15H20O3 248.141244 NA MeJP NA NA +MJ014901 1,3,11(13)-Elematrien-12,8-olide, 15-Hydroxy C15H20O3 248.141244 NA MeJP NA NA +MJ014902 1,3,11(13)-Elematrien-12,8-olide, 3,4?-Epoxide C15H20O3 248.141244 NA MeJP NA NA +MJ014903 1,7,12-Trihydroxy-2,9-illudadien-8-one, 1-Deoxy C15H20O3 248.141244 NA MeJP NA NA +MJ014904 1,7-Dihydroxy-2,9-illudadien-8-one C15H20O3 248.141244 NA MeJP NA NA +MJ014905 1-(3,4-Dihydroxyphenyl)-1-propanone; 3-Me, 4-(3-methyl-2-butenyl) ether C15H20O3 248.141244 NA MeJP NA NA +MJ014906 1-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014907 1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-oic acid; 1?-form C15H20O3 248.141244 NA MeJP NA NA +MJ014908 1-Hydroxy-3,11(13)-eudesmadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014909 1-Hydroxy-3,11(13)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014910 1-Hydroxy-3,9-guaiadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014911 1-Hydroxy-4(15),11(13)-eudesmadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014912 1-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014913 1-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, 1-Ketone C15H20O3 248.141244 NA MeJP NA NA +MJ014914 1-Hydroxy-4(15)-eudesmen-12,6-olide, 1-Ketone C15H20O3 248.141244 NA MeJP NA NA +MJ014915 1-Hydroxy-4,10(14)-germacradien-12,6-olide, 1-Ketone C15H20O3 248.141244 NA MeJP NA NA +MJ014916 1-Hydroxy-4,10(14)-germacradien-12,6-olide, 11,13-Didehydro C15H20O3 248.141244 NA MeJP NA NA +MJ014917 1-Hydroxy-4,11(13)-eudesmadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014918 1-Hydroxy-4,11(13)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014919 1-Hydroxy-4,9,11(13)-germacratrien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014920 1-Hydroxy-4-oxo-2,5,10-bisabolatrien-12-al C15H20O3 248.141244 NA MeJP NA NA +MJ014921 1-Hydroxy-5-eudesmen-12,8-olide, 11,13-Didehydro C15H20O3 248.141244 NA MeJP NA NA +MJ014922 1-Hydroxy-8-oxo-2,6,9-humulatrien-15-oic acid, 1-Deoxy C15H20O3 248.141244 NA MeJP NA NA +MJ014923 1-Oxo-4-eudesmen-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014924 1-Oxo-7(11)-eremophilen-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014925 1-Oxo-7(11)-eudesmen-12,8-olide; 8?-form C15H20O3 248.141244 NA MeJP NA NA +MJ014926 10,14-Epoxy-4(15)-guaien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014927 10-Hydroxy-1,11(13)-eremophiladien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014928 10-Hydroxy-1,3-guaiadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014929 10-Hydroxy-15-calamenenoic acid; 10?-form C15H20O3 248.141244 NA MeJP NA NA +MJ014930 10-Hydroxy-15-calamenenoic acid; 10?-form C15H20O3 248.141244 NA MeJP NA NA +MJ014931 10-Hydroxy-3,11(13)-guaiadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014932 10-Hydroxy-4(15),11(13)-guaiadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014933 10-Hydroxy-7-marasmen-5,14-olide; 10?-form C15H20O3 248.141244 NA MeJP NA NA +MJ014934 11-Dodecene-2,4-diyn-1-ol; Methoxyacetate C15H20O3 248.141244 NA MeJP NA NA +MJ014935 11-Hydroxy-3,5,7,9-farnesatetraene-1,15-dial C15H20O3 248.141244 NA MeJP NA NA +MJ014936 11-Oxo-5-silphiperfolen-13-oic acid C15H20O3 248.141244 NA MeJP NA NA +MJ014937 12-Hydroxy-1(10),11(13)-chiloscyphadiene-2,7-dione C15H20O3 248.141244 NA MeJP NA NA +MJ014938 12-Hydroxy-1-oxo-4,10(14)-bicyclogermacradien-15-al C15H20O3 248.141244 NA MeJP NA NA +MJ014939 12-Hydroxy-4,6-eudesmadiene-3,8-dione C15H20O3 248.141244 NA MeJP NA NA +MJ014940 12-Hydroxy-7-marasmen-5,14-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014941 14-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014942 15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014943 15-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014944 15-Hydroxy-2,7(14),10-bisabolatrien-12-oic acid; 15-Aldehyde C15H20O3 248.141244 NA MeJP NA NA +MJ014945 15-Hydroxy-3,10(14)-guaiadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014946 15-Hydroxy-3,11(13)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014947 15-Hydroxy-3,11(13)-eudesmadien-12-oic acid; 15-Aldehyde C15H20O3 248.141244 NA MeJP NA NA +MJ014948 15-Hydroxy-4,11(13)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014949 15-Hydroxy-4,11(13)-eudesmadien-12-oic acid; 15-Aldehyde C15H20O3 248.141244 NA MeJP NA NA +MJ014950 2,10-Dihydroxy-4(15),6,8-hirsutatrien-5-one, 4?,15-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ014951 2,12-Epoxy-7(14)-illudadiene-3,8-diol C15H20O3 248.141244 NA MeJP NA NA +MJ014952 2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 2-Deoxy, 4-ketone C15H20O3 248.141244 NA MeJP NA NA +MJ014953 2,5-Epidioxy-3,11-eudesmadien-1-one C15H20O3 248.141244 NA MeJP NA NA +MJ014954 2,7-Epoxy-3-oxo-5(10)-pinguisen-11-al C15H20O3 248.141244 NA MeJP NA NA +MJ014955 2-(1,2-Epoxy-2,6-dimethyl-5,7-octadienyl)-5-methylfuran-3(2H)-one C15H20O3 248.141244 NA MeJP NA NA +MJ014956 2-(1-Propenyl)-1,4-benzenediol, 4-Me ether, 1-O-(2-methylbutanoyl) C15H20O3 248.141244 NA MeJP NA NA +MJ014957 2-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014958 2-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ014959 2-Hydroxy-3,11(13)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014960 2-Hydroxy-3,11(13)-eudesmadien-12-oic acid; 2?-form, 2-Ketone C15H20O3 248.141244 NA MeJP NA NA +MJ014961 2-Hydroxy-3-oxo-4,11(13)-eudesmadien-12-al C15H20O3 248.141244 NA MeJP NA NA +MJ014962 2-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014963 2-Hydroxy-4(15),7(11)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014964 2-Hydroxy-4,11(13)-eudesmadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014965 2-Hydroxy-4,11(13)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014966 2-Hydroxy-5,11(13)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014967 2-Hydroxy-7-marasmen-5,14-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014968 2-Hydroxy-9,11-dimethyl-10-methylene-3-oxatricyclo[7.3.1.02,6]tridec-5-en-4-one C15H20O3 248.141244 NA MeJP NA NA +MJ014969 2-Methoxy-4-(1-propenyl)phenol, 2-Methylbutanoyl C15H20O3 248.141244 NA MeJP NA NA +MJ014970 2-Methoxy-4-(1-propenyl)phenol, 3-Methylbutanoyl C15H20O3 248.141244 NA MeJP NA NA +MJ014971 2-Methoxy-4-(2-propenyl)phenol; 3-Methylbutanoyl C15H20O3 248.141244 NA MeJP NA NA +MJ014972 2-Oxo-1(10),11(13)-eremophiladien-12-oic acid C15H20O3 248.141244 NA MeJP NA NA +MJ014973 2-Oxo-1(10),11(13)-spirovetivadien-12-oic acid C15H20O3 248.141244 NA MeJP NA NA +MJ014974 2-Oxo-3-guaien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014975 2-Oxo-3-pseudoguaien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014976 3,12-Dihydroxy-2(9),7(14)-illudadien-8-one; 3?-form C15H20O3 248.141244 NA MeJP NA NA +MJ014977 3,14-Calamenenediol; 14-Carboxylic acid C15H20O3 248.141244 NA MeJP NA NA +MJ014978 3,15-Epoxy-5,7,9-farnesatrien-1,15-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014979 3,4-Epoxy-10(14),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ014980 3,5-Dihydro-8-hydroxy-5-isopropyl-2,7-dimethyl-1-benzoxepin-4(2H)-one C15H20O3 248.141244 NA MeJP NA NA +MJ014981 3,6:9,12-Diepoxy-1,9,11-farnesatrien-8-one C15H20O3 248.141244 NA MeJP NA NA +MJ014982 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 4'-O-(3-Methyl-2-butenyl), 3'-Me ether C15H20O3 248.141244 NA MeJP NA NA +MJ014983 3-(4-Hydroxyphenyl)-2-propenoic acid, Me ether, methylbutyl ester C15H20O3 248.141244 NA MeJP NA NA +MJ014984 3-Hydroxy-1(10),11(13)-eremophiladien-12-oic acid, 3-Ketone C15H20O3 248.141244 NA MeJP NA NA +MJ014985 3-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014986 3-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014987 3-Hydroxy-1(10),4-germacradien-12,6-olide, 3-Ketone C15H20O3 248.141244 NA MeJP NA NA +MJ014988 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ014989 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ014990 3-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014991 3-Hydroxy-4,11(13)-eudesmadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014992 3-Hydroxy-4,11(13)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014993 3-Hydroxy-4,11(13)-eudesmadien-12-oic acid, 3-Ketone C15H20O3 248.141244 NA MeJP NA NA +MJ014994 3-Hydroxy-4,11(13)-guaiadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014995 3-Hydroxy-4,9,11(13)-cadinatrien-12-oic acid C15H20O3 248.141244 NA MeJP NA NA +MJ014996 3-Hydroxy-4,9,11(13)-muurolatrien-12-oic acid C15H20O3 248.141244 NA MeJP NA NA +MJ014997 3-Hydroxy-4-isocedren-15,14-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014998 3-Hydroxy-6,8-lactaradien-14,5-olide C15H20O3 248.141244 NA MeJP NA NA +MJ014999 3-Hydroxy-9,11(13)-eremophiladien-12-oic acid, 3-Ketone C15H20O3 248.141244 NA MeJP NA NA +MJ015000 3-Hydroxyfuranoeremophilan-9-one C15H20O3 248.141244 NA MeJP NA NA +MJ015001 3-Oxo-1(10),11(13)-germacradien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015002 3-Oxo-1,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015003 3-Oxo-1,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015004 3-Oxo-1,11(13)-guaiadien-12,8-olide, 11?,13-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015005 3-Oxo-1,11(13)-guaiadien-12,8-olide, 11?,13-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015006 3-Oxo-1,11(13)-guaiadien-12,8-olide, 11?,13-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015007 3-Oxo-1-guaien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015008 3-Oxo-10(14)-guaien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015009 3-Oxo-11(13)-pseudoguaien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015010 3-Oxo-4,11(13)-germacradien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015011 3-Oxo-4,11(13)-guaiadien-12,8-olide, 11?,13-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015012 3-Oxo-4,11(13)-guaiadien-12-oic acid C15H20O3 248.141244 NA MeJP NA NA +MJ015013 3-Oxo-7-eudesmen-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015014 3-Oxo-9-guaien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015015 4(15),11(13)-Eudesmadien-12,8-olide, 4?,15-Epoxide C15H20O3 248.141244 NA MeJP NA NA +MJ015016 4,10-Dihydroxy-4,5-seco-1(5),11(13)-guaiadien-12,8-olide, 10-Deoxy, 10,14-didehydro C15H20O3 248.141244 NA MeJP NA NA +MJ015017 4,10-Epoxy-3-hydroxy-12,8-guaianolide, 3-Deoxy, 11,13-didehydro C15H20O3 248.141244 NA MeJP NA NA +MJ015018 4,11(13)-Eudesmadien-12,6-olide, 4?,5?-Epoxide C15H20O3 248.141244 NA MeJP NA NA +MJ015019 4,11(13)-Eudesmadien-12,8-olide, 4?,5?-Epoxide C15H20O3 248.141244 NA MeJP NA NA +MJ015020 4,11(13)-Guaiadien-12,8-olide, 4?,5?-Epoxide C15H20O3 248.141244 NA MeJP NA NA +MJ015021 4,5,6,9,10,10a-Hexahydro-10a-hydroxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one C15H20O3 248.141244 NA MeJP NA NA +MJ015022 4,5-Epoxy-1(10),11(13)-germacradien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015023 4,5-Epoxy-1(10),11(13)-germacradien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015024 4,5-Epoxy-11(13)-guaien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015025 4,5-Secofuranoeremophila-5,9-dien-4-one; 11,12-Dihydro, 12?-hydroxy C15H20O3 248.141244 NA MeJP NA NA +MJ015026 4,6-Dihydroxy-11(13)-eudesmen-12,8-olide, 4-Deoxy, 4,15-didehydro C15H20O3 248.141244 NA MeJP NA NA +MJ015027 4-Hydroxy-1(10),11(13)-guaiadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015028 4-Hydroxy-1(10),11(13)-guaiadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015029 4-Hydroxy-1(10),2-guaiadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015030 4-Hydroxy-10(14),11(13)-guaiadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015031 4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015032 4-Hydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone C15H20O3 248.141244 NA MeJP NA NA +MJ015033 4-Hydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015034 4-Hydroxy-3-cedrene-1,5-dione C15H20O3 248.141244 NA MeJP NA NA +MJ015035 4-Hydroxy-5,11(13)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015036 4-Hydroxy-5,11(13)-guaiadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015037 4-Hydroxy-5-oxo-7-protoilluden-14-al; 4?-form C15H20O3 248.141244 NA MeJP NA NA +MJ015038 4-Hydroxy-7(11),8-eudesmadien-12,8-olide; 4?-form C15H20O3 248.141244 NA MeJP NA NA +MJ015039 4-Hydroxy-8-oxo-1(10),6-eremophiladien-12-al; 4?-form C15H20O3 248.141244 NA MeJP NA NA +MJ015040 4-Hydroxy-9,11(13)-guaiadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015041 4-Isocedren-15,14-olide; 14?-Hydroxy C15H20O3 248.141244 NA MeJP NA NA +MJ015042 4-Isocedren-15,14-olide; 8?-Hydroxy C15H20O3 248.141244 NA MeJP NA NA +MJ015043 4-Isocedren-15,14-olide; 9?-Hydroxy C15H20O3 248.141244 NA MeJP NA NA +MJ015044 4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 2,3-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015045 4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 11?,13-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015046 4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 2,3-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015047 4-Oxo-2,11(13)-pseudoguaiadien-12,6-olide, 2,3-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015048 4-Oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015049 4-Oxo-3(5),11(13)-iphionadien-12-oic acid C15H20O3 248.141244 NA MeJP NA NA +MJ015050 4-Oxo-7(11)-pseudoguaien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015051 4-Scirpenol, 4-Ketone C15H20O3 248.141244 NA MeJP NA NA +MJ015052 5,10-Epoxy-1,3,5,8-bisabolatetraene-2,11-diol C15H20O3 248.141244 NA MeJP NA NA +MJ015053 5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acid, 7,8-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015054 5-Hydroxy-1(10),4(15),11(13)-germacratrien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015055 5-Hydroxy-2,5,10-bisabolatriene-1,4-dione C15H20O3 248.141244 NA MeJP NA NA +MJ015056 5-Hydroxy-2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde; Angeloyl C15H20O3 248.141244 NA MeJP NA NA +MJ015057 5-Hydroxy-3,11(13)-guaiadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015058 5-Hydroxy-3,5,10-bisabolatriene-1,2-dione C15H20O3 248.141244 NA MeJP NA NA +MJ015059 5-Hydroxy-4(15),11(13)-eudesmadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015060 5-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015061 5-Hydroxy-4,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde; Angeloyl C15H20O3 248.141244 NA MeJP NA NA +MJ015062 5-Hydroxy-6-silphiperfolen-13-oic acid, 5-Ketone C15H20O3 248.141244 NA MeJP NA NA +MJ015063 5-Hydroxy-7-oxo-10-pinguisen-12-oic acid, 12?5 Lactone C15H20O3 248.141244 NA MeJP NA NA +MJ015064 6,7-Epoxy-4(15)-hirsutene-1,5-diol, 5-Ketone C15H20O3 248.141244 NA MeJP NA NA +MJ015065 6,7-Epoxy-8-drimen-12,11-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015066 6-(1,3-Dimethyl-1,3-hexadienyl)-2-methoxy-3-methyl-4H-pyran-4-one C15H20O3 248.141244 NA MeJP NA NA +MJ015067 6-(1,3-Dimethyl-1,3-hexadienyl)-4-methoxy-3-methyl-2H-pyran-2-one C15H20O3 248.141244 NA MeJP NA NA +MJ015068 6-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015069 6-Hydroxy-1(10),7(11)-eremophiladien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015070 6-Hydroxy-1(10),7-eremophiladien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015071 6-Hydroxy-4,6,11(13)-eudesmatrien-12-oic acid C15H20O3 248.141244 NA MeJP NA NA +MJ015072 6-Hydroxy-4,9-germacradien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015073 6-Hydroxyfuranoeremophilan-9-one C15H20O3 248.141244 NA MeJP NA NA +MJ015074 6-Oxo-8-drimen-12,11-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015075 7(11)-Eremophilen-12,8-olide, 9,10-Didehydro, 8?-hydroxy C15H20O3 248.141244 NA MeJP NA NA +MJ015076 7-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015077 7-Hydroxy-3,11(13)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015078 7-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015079 7-Hydroxy-4,11(13)-eudesmadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015080 7-Marasmene-5,14-dial; 10?-Hydroxy C15H20O3 248.141244 NA MeJP NA NA +MJ015081 7-Methoxy-6-(1-methoxyethyl)-2,2-dimethyl-2H-1-benzopyran C15H20O3 248.141244 NA MeJP NA NA +MJ015082 7-Oxo-8-drimen-11,12-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015083 8,9-Epoxy-8,9-seco-1(10),4,7(11)-germacratrien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015084 8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015085 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015086 8-Hydroxy-1(10),7(11)-eremophiladien-12,8-olide; 8à OH-form C15H20O3 248.141244 NA MeJP NA NA +MJ015087 8-Hydroxy-1,3,7(11)-elematrien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015088 8-Hydroxy-3,11(13)-eudesmadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015089 8-Hydroxy-4(15),10(14)-guaiadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015090 8-Hydroxy-4(15),11(13),10(14)-guaiatrien-12,6-olide, 11?,13-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015091 8-Hydroxy-4(15),11(13)-eudesmadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015092 8-Hydroxy-4(15),7(11)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015093 8-Hydroxy-4(15)-eudesmen-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015094 8-Hydroxy-4,7(11)-guaiadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015095 8-Hydroxy-4-amorphen-3-one; 8-Ketone, 7,11-didehydro, 12-hydroxy C15H20O3 248.141244 NA MeJP NA NA +MJ015096 8-Hydroxy-4-eudesmen-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015097 8-Oxo-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015098 8-Oxo-6,9-eremophiladien-12-oic acid C15H20O3 248.141244 NA MeJP NA NA +MJ015099 8-Oxo-7(11),9-eremophiladien-12-al, 12-Carboxylic acid C15H20O3 248.141244 NA MeJP NA NA +MJ015100 9,11(13)-Eremophiladien-12,8-olide, 3?-Hydroxy C15H20O3 248.141244 NA MeJP NA NA +MJ015101 9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015102 9-Hydroxy-4(13),7-coloratadien-12,11-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015103 9-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015104 9-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, 9-Ketone C15H20O3 248.141244 NA MeJP NA NA +MJ015105 9-Hydroxy-4,11(13)-eudesmadien-12,6-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015106 9-Hydroxy-4,11(13)-eudesmadien-12-oic acid, 9-Ketone C15H20O3 248.141244 NA MeJP NA NA +MJ015107 9-Hydroxy-7-marasmen-5,14-olide C15H20O3 248.141244 NA MeJP NA NA +MJ015108 9-Oxo-1,3,5-bisabolatrien-15-oic acid C15H20O3 248.141244 NA MeJP NA NA +MJ015109 9-Oxo-2-modhephen-14-al; 12-Carboxylic acid C15H20O3 248.141244 NA MeJP NA NA +MJ015110 ?-Cannabispiranol C15H20O3 248.141244 NA MeJP NA NA +MJ015111 Abscisic acid, 11-Aldehyde C15H20O3 248.141244 NA MeJP NA NA +MJ015112 Anguillosporal, 1',2'-Didehydro(E-) C15H20O3 248.141244 NA MeJP NA NA +MJ015113 Arteannuin B C15H20O3 248.141244 NA MeJP NA NA +MJ015114 Bisabolangelone C15H20O3 248.141244 NA MeJP NA NA +MJ015115 Blennin C; Aldehyde C15H20O3 248.141244 NA MeJP NA NA +MJ015116 Carabrone C15H20O3 248.141244 NA MeJP NA NA +MJ015117 Carney's ketol C15H20O3 248.141244 NA MeJP NA NA +MJ015118 Coprinolone; 6,7-Didehydro C15H20O3 248.141244 NA MeJP NA NA +MJ015119 Cyclodehydromyopyrone A C15H20O3 248.141244 NA MeJP NA NA +MJ015120 Cyclodehydromyopyrone B C15H20O3 248.141244 NA MeJP NA NA +MJ015121 Cyercene 3 C15H20O3 248.141244 NA MeJP NA NA +MJ015122 Cyercene 5 C15H20O3 248.141244 NA MeJP NA NA +MJ015123 Dacriniol; Aldehyde C15H20O3 248.141244 NA MeJP NA NA +MJ015124 Dysetherin C15H20O3 248.141244 NA MeJP NA NA +MJ015125 Emmotin F C15H20O3 248.141244 NA MeJP NA NA +MJ015126 Enokipodin A C15H20O3 248.141244 NA MeJP NA NA +MJ015127 Eremoacetal C15H20O3 248.141244 NA MeJP NA NA +MJ015128 Eremofortin B C15H20O3 248.141244 NA MeJP NA NA +MJ015129 Eumorphistonol C15H20O3 248.141244 NA MeJP NA NA +MJ015130 Ferulol; Angeloyl C15H20O3 248.141244 NA MeJP NA NA +MJ015131 Ferulol; O-(3-Methyl-2-butenoyl) C15H20O3 248.141244 NA MeJP NA NA +MJ015132 Furanoeremophil-1(10)-ene-4,6-diol C15H20O3 248.141244 NA MeJP NA NA +MJ015133 Furodysinin lactone C15H20O3 248.141244 NA MeJP NA NA +MJ015134 Gloeophyllol C C15H20O3 248.141244 NA MeJP NA NA +MJ015135 Gloeophyllone C15H20O3 248.141244 NA MeJP NA NA +MJ015136 Heliannuol C C15H20O3 248.141244 NA MeJP NA NA +MJ015137 Heliannuol E C15H20O3 248.141244 NA MeJP NA NA +MJ015138 Helicobasidin; 4-Deoxy C15H20O3 248.141244 NA MeJP NA NA +MJ015139 Herbacin hydroxybutenolide C15H20O3 248.141244 NA MeJP NA NA +MJ015140 Hibiscone A; 9-Oxo, 3?-alchohol C15H20O3 248.141244 NA MeJP NA NA +MJ015141 Hibiscone A; 9?-Hydroxy C15H20O3 248.141244 NA MeJP NA NA +MJ015142 Igalin C15H20O3 248.141244 NA MeJP NA NA +MJ015143 Illicinone A, 2R,3-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015144 Illicinone A, 2S,3-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015145 Illicinone A, 2?,3-Dihydro C15H20O3 248.141244 NA MeJP NA NA +MJ015146 Illicinone A, 2R,3-Dihydro, 11S,12-epoxide C15H20O3 248.141244 NA MeJP NA NA +MJ015147 Inusoniolide C15H20O3 248.141244 NA MeJP NA NA +MJ015148 Isoferulol; O-(3-Methyl-2-butenoyl) C15H20O3 248.141244 NA MeJP NA NA +MJ015149 Isoquadrone C15H20O3 248.141244 NA MeJP NA NA +MJ015150 Junipenonoic acid C15H20O3 248.141244 NA MeJP NA NA +MJ015151 Lasiocarpenonol C15H20O3 248.141244 NA MeJP NA NA +MJ015152 Laureacetal C C15H20O3 248.141244 NA MeJP NA NA +MJ015153 Laurefucin; Debromo, 3,4-didehydro C15H20O3 248.141244 NA MeJP NA NA +MJ015154 Linifolone C15H20O3 248.141244 NA MeJP NA NA +MJ015155 Mansonone B C15H20O3 248.141244 NA MeJP NA NA +MJ015156 Marasmene; 3-Oxo C15H20O3 248.141244 NA MeJP NA NA +MJ015157 Merulactone C15H20O3 248.141244 NA MeJP NA NA +MJ015158 Merulidial C15H20O3 248.141244 NA MeJP NA NA +MJ015159 Moskachan D C15H20O3 248.141244 NA MeJP NA NA +MJ015160 Muzigadial C15H20O3 248.141244 NA MeJP NA NA +MJ015161 Myoporone, 10,11-Didehydro C15H20O3 248.141244 NA MeJP NA NA +MJ015162 Ngaione, 10,11-Didehydro C15H20O3 248.141244 NA MeJP NA NA +MJ015163 Nidulol C15H20O3 248.141244 NA MeJP NA NA +MJ015164 Nobilomethylene C15H20O3 248.141244 NA MeJP NA NA +MJ015165 Onitin C15H20O3 248.141244 NA MeJP NA NA +MJ015166 Pallescensin 3 C15H20O3 248.141244 NA MeJP NA NA +MJ015167 Palmosalide C C15H20O3 248.141244 NA MeJP NA NA +MJ015168 Phomenone; 13-Deoxy C15H20O3 248.141244 NA MeJP NA NA +MJ015169 Placidene B C15H20O3 248.141244 NA MeJP NA NA +MJ015170 Plagiochilal B C15H20O3 248.141244 NA MeJP NA NA +MJ015171 Plagiochiline K; 2-Ketone C15H20O3 248.141244 NA MeJP NA NA +MJ015172 Pterosin A C15H20O3 248.141244 NA MeJP NA NA +MJ015173 Pterosin D C15H20O3 248.141244 NA MeJP NA NA +MJ015174 Quadrone C15H20O3 248.141244 NA MeJP NA NA +MJ015175 Rarisetenolide; 11?,12-Epoxide C15H20O3 248.141244 NA MeJP NA NA +MJ015176 Ricciocarpin A C15H20O3 248.141244 NA MeJP NA NA +MJ015177 Saussureal C15H20O3 248.141244 NA MeJP NA NA +MJ015178 Terrecyclol; 7-Carboxylic acid C15H20O3 248.141244 NA MeJP NA NA +MJ015179 Toxin FS1; 2-Ketone C15H20O3 248.141244 NA MeJP NA NA +MJ015180 Ulugbin C15H20O3 248.141244 NA MeJP NA NA +MJ015181 Upial C15H20O3 248.141244 NA MeJP NA NA +MJ015182 Vernopolyanthofuran; 6,7-Didehydro(E) C15H20O3 248.141244 NA MeJP NA NA +MJ015183 Viscosumic acid C15H20O3 248.141244 NA MeJP NA NA +MJ015184 Winterin C15H20O3 248.141244 NA MeJP NA NA +MetaCyc02258 1,2-dihydrosantonin [] C15H20O3 248.141245 NA metacyc NA NA +MetaCyc02259 xanthoxin [] C15H20O3 248.141245 NA metacyc NA NA +MetaCyc02260 abscisic aldehyde [ABA aldehyde;abscisic acid aldehyde;] C15H20O3 248.141245 NA metacyc NA NA +HMDB01931 Gamma-CEHC C15H20O3 248.141251 NA HMDB2010 NA NA +MJ015185 Negamycin C9H20N4O4 248.148455 NA MeJP NA NA +MJ015186 Bunitrolol C14H20N2O2 248.152477 NA MeJP NA NA +MJ015187 Domazoline C14H20N2O2 248.152477 NA MeJP NA NA +MJ015188 Pindolol C14H20N2O2 248.152477 NA MeJP NA NA +MJ015189 Piridocaine C14H20N2O2 248.152477 NA MeJP NA NA +MJ015190 Visoltricin; N1-Me C14H21N2O2(+) 248.152477 NA MeJP NA NA +MetaCyc02261 p-(β-aminoethyl)phenoxy-methyl-2-(aminomethyl)furan [] C14H20N2O2 248.152478 NA metacyc NA NA +C07445 Pindolol C14H20N2O2 248.1525 NA KEGG NA NA +MJ015191 1-Chloro-1-tridecene-6,8-diol C13H25ClO2 248.154307 NA MeJP NA NA +MJ015192 Diptocarpaine; N2-Isopropyl C11H24N2O2S 248.155848 NA MeJP NA NA +MJ015193 Narbosine C; 1-Alcohol C12H24O5 248.162373 NA MeJP NA NA +MJ015194 N,N-Dimethyl-N'-[2-(4-morpholinyl)phenyl]guanidine C13H20N4O 248.163711 NA MeJP NA NA +MJ015195 N-(2,6-Diethylphenyl)-N'-[imino(methylamino)methyl]urea C13H20N4O 248.163711 NA MeJP NA NA +MJ015196 1(10),11(13)-Eremophiladien-12-oic acid; Me ester C16H24O2 248.17763 NA MeJP NA NA +MJ015197 1(10),11-Guaiadien-14-ol, 14-Carboxylic acid, Me ester C16H24O2 248.17763 NA MeJP NA NA +MJ015198 13,14,15,16-Tetranor-7-labden-17,12-olide C16H24O2 248.17763 NA MeJP NA NA +MJ015199 13,14,15,16-Tetranor-9(11)-labden-12,8-olide; 8?-form C16H24O2 248.17763 NA MeJP NA NA +MJ015200 2,4-Bis(3-methyl-2-butenyl)phenol; 2',3'-Dihydro, 3'-hydroxy C16H24O2 248.17763 NA MeJP NA NA +MJ015201 2-Isocomen-14-ol; 14-Carboxylic acid, Me ester C16H24O2 248.17763 NA MeJP NA NA +MJ015202 3,7-Calamenenediol, 3-Me ether C16H24O2 248.17763 NA MeJP NA NA +MJ015203 3,8-Calamenenediol, 3-Me ether C16H24O2 248.17763 NA MeJP NA NA +MJ015204 3-Longipinen-12-oic acid; 11-Epimer, Me ester C16H24O2 248.17763 NA MeJP NA NA +MJ015205 3-Longipinen-12-oic acid; Me ester C16H24O2 248.17763 NA MeJP NA NA +MJ015206 4,11(13)-Amorphadien-12-oic acid; Me ester C16H24O2 248.17763 NA MeJP NA NA +MJ015207 4,7,10,13-Hexadecatetraenoic acid C16H24O2 248.17763 NA MeJP NA NA +MJ015208 4-Hydroxy-1,9-cadinadien-3-one; Me ether C16H24O2 248.17763 NA MeJP NA NA +MJ015209 6,9,12,15-Hexadecatetraenoic acid C16H24O2 248.17763 NA MeJP NA NA +MJ015210 6-Hydroxy-3(15),7(14)-caryophylladien-8-one, Me ether C16H24O2 248.17763 NA MeJP NA NA +MJ015211 6-Hydroxy-3(15),7(14)-caryophylladien-8-one; 6?-form, Me ether C16H24O2 248.17763 NA MeJP NA NA +MJ015212 Calamenene, 2-Hydroxy, 5-methoxy C16H24O2 248.17763 NA MeJP NA NA +MJ015213 Contrunculin B C16H24O2 248.17763 NA MeJP NA NA +MJ015214 Furanoeremophilan-6-ol, Me ether C16H24O2 248.17763 NA MeJP NA NA +MJ015215 Inocoterone C16H24O2 248.17763 NA MeJP NA NA +MJ015216 Madolin M C16H24O2 248.17763 NA MeJP NA NA +MJ015217 Nidorellaurinic acid; 3,4-Dihydro, Me ester C16H24O2 248.17763 NA MeJP NA NA +MJ015218 17-Oxosparteine C15H24N2O 248.188863 NA MeJP NA NA +MJ015219 ?-Isosparteine, 10-Oxo C15H24N2O 248.188863 NA MeJP NA NA +MJ015220 Allomatrine C15H24N2O 248.188863 NA MeJP NA NA +MJ015221 Ammodendron karelinii Alkaloid C15H24N2O 248.188863 NA MeJP NA NA +MJ015222 Angustifoline, N-Me C15H24N2O 248.188863 NA MeJP NA NA +MJ015223 Aphylline C15H24N2O 248.188863 NA MeJP NA NA +MJ015224 Darvasamine C15H24N2O 248.188863 NA MeJP NA NA +MJ015225 Isomatrine C15H24N2O 248.188863 NA MeJP NA NA +MJ015226 Isosophoridine C15H24N2O 248.188863 NA MeJP NA NA +MJ015227 Lupanine C15H24N2O 248.188863 NA MeJP NA NA +MJ015228 Matrine C15H24N2O 248.188863 NA MeJP NA NA +MJ015229 Morforex C15H24N2O 248.188863 NA MeJP NA NA +MJ015230 Sophoridine C15H24N2O 248.188863 NA MeJP NA NA +MJ015231 Tetrahydrocytisine; N-(3-Butenyl) C15H24N2O 248.188863 NA MeJP NA NA +MJ015232 Thermopsamine; Ketone C15H24N2O 248.188863 NA MeJP NA NA +MJ015233 Trimecaine C15H24N2O 248.188863 NA MeJP NA NA +MJ015234 Virgilidone; N-(3-Butenyl) C15H24N2O 248.188863 NA MeJP NA NA +MJ015235 ?-Isolupanine C15H24N2O 248.188863 NA MeJP NA NA +C10752 Aphylline C15H24N2O 248.1889 NA KEGG NA NA +C10772 Lupanine C15H24N2O 248.1889 NA KEGG NA NA +C10774 Matrine C15H24N2O 248.1889 NA KEGG NA NA +C17442 Isomatrine C15H24N2O 248.1889 NA KEGG NA NA +C18158 17-Oxosparteine C15H24N2O 248.1889 NA KEGG NA NA +C18160 Bacteriochlorophyllide d C30H26MgN4O4 248.1889 NA KEGG NA NA +C18161 Bacteriochlorophyllide c C31H28MgN4O4 248.1889 NA KEGG NA NA +C18162 Bacteriochlorophyll d C45H50MgN4O4 248.1889 NA KEGG NA NA +C18163 Bacteriochlorophyll c C46H52MgN4O4 248.1889 NA KEGG NA NA +C00370 Sterol C17H28O 248.214 NA KEGG NA NA +C02799 3beta-Hydroxysterol C17H28O 248.214 NA KEGG NA NA +C16343 Heptadecatrienal C17H28O 248.214 NA KEGG NA NA +MJ015236 Sterol C17H28O 248.214015 NA MeJP NA NA +MJ015237 1,8,11,14-Heptadecatetraene, 11,12-Epoxide C17H28O 248.214015 NA MeJP NA NA +MJ015238 1,8,11,14-Heptadecatetraene, 8,9-Epoxy C17H28O 248.214015 NA MeJP NA NA +MJ015239 1,9,11,14-Heptadecatetraen-8-ol C17H28O 248.214015 NA MeJP NA NA +MJ015240 2-(12-Tridecenyl)furan C17H28O 248.214015 NA MeJP NA NA +MJ015241 3,7,9,16-Heptadecatetraen-6-ol C17H28O 248.214015 NA MeJP NA NA +MJ015242 3-Undecylphenol C17H28O 248.214015 NA MeJP NA NA +MJ015243 4,6,9,16-Heptadecatetraen-3-ol C17H28O 248.214015 NA MeJP NA NA +MJ015244 8,11,14-Heptadecatrienal C17H28O 248.214015 NA MeJP NA NA +MJ015245 8-Methyl-2,4-hexadecadiyn-1-ol C17H28O 248.214015 NA MeJP NA NA +MJ015246 2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form, Bisdeoxy C16H28N2 248.225248 NA MeJP NA NA +MJ015247 Lycocernuine; Deoxy, deoxo C16H28N2 248.225248 NA MeJP NA NA +MJ015248 3,6,9-Octadecatriene C18H32 248.250401 NA MeJP NA NA +MJ015249 8-Methylpodocarpane C18H32 248.250401 NA MeJP NA NA +8069 synthetic peptide RHW 248.619 MH2+ Inhouse_peptide NA peptide +8074 synthetic peptide RWH 248.619 MH2+ Inhouse_peptide NA peptide +C03347 3,5-Dichloro-L-tyrosine C9H9Cl2NO3 248.9959 NA KEGG NA NA +MJ015250 2-Amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoic acid C9H9Cl2NO3 248.995948 NA MeJP NA NA +EUR013 3,5-dichlorotyrosine C9H9Cl2NO3 248.99595 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR013 3,5-dichlorotyrosine C9H9Cl2NO3 248.99595 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR013 3,5-dichlorotyrosine C9H9Cl2NO3 248.99595 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR013 3,5-dichlorotyrosine C9H9Cl2NO3 248.99595 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR013 3,5-dichlorotyrosine C9H9Cl2NO3 248.99595 Wishlist HMDB NA NA +EUR013 3,5-dichlorotyrosine C9H9Cl2NO3 248.99595 Wishlist Inhouse_PFEM NA NA +EUR013 3,5-dichlorotyrosine C9H9Cl2NO3 248.99595 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR013 3,5-dichlorotyrosine C9H9Cl2NO3 248.99595 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR013 3,5-dichlorotyrosine C9H9Cl2NO3 248.996 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR013 3,5-dichlorotyrosine C9H9Cl2NO3 248.996 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR013 3,5-dichlorotyrosine C9H9Cl2NO3 248.996 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR013 3,5-dichlorotyrosine C9H9Cl2NO3 248.996 Wishlist Inhousejuil11 NA NA +C15311 N,N-Bis(2-chloroethyl)-DL-alanine hydrochloride C7H13Cl2NO2 249.009 NA KEGG NA NA +MJ015251 Erdosteine C8H11NO4S2 249.012949 NA MeJP NA NA +C07752 Alendronic acid C4H13NO7P2 249.0167 NA KEGG NA NA +HMDB01915 Alendronic acid C4H13NO7P2 249.016724 NA HMDB2010 NA NA +MJ015252 Alendronic acid C4H13NO7P2 249.016724 NA MeJP NA NA +MetaCyc02262 alendronate [(4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid;Arendal;] C4H13N1O7P2 249.016725 NA metacyc NA NA +MJ015253 3-Amino-2-(4-chlorophenyl)-1-propanesulfonic acid C9H12ClNO3S 249.022641 NA MeJP NA NA +HMDB02062 Norepinephrine sulfate C8H11NO6S 249.030701 NA HMDB2010 NA NA +HMDB02062 Norepinephrine sulfate C8H11NO6S 249.03072 http://www.hmdb.ca/metabolites/HMDB02062 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02062 Norepinephrine sulfate C8H11NO6S 249.03072 http://www.hmdb.ca/metabolites/HMDB02062 HMDB NA NA +HMDB02062 Norepinephrine sulfate C8H11NO6S 249.03072 http://www.hmdb.ca/metabolites/HMDB02062 PFEM_hmdb_metabocards_blood NA blood +HMDB02062 Norepinephrine sulfate C8H11NO6S 249.03072 HMDB02062 PFEM_hmdb_metabocards_official NA NA +MJ015254 Phaclofen C9H13ClNO3P 249.032157 NA MeJP NA NA +C00627 Pyridoxine phosphate C8H12NO6P 249.0402 NA KEGG NA NA +HMDB01319 Pyridoxine 5'-phosphate C8H12NO6P 249.04022 http://www.hmdb.ca/metabolites/HMDB01319 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01319 Pyridoxine 5'-phosphate C8H12NO6P 249.04022 http://www.hmdb.ca/metabolites/HMDB01319 HMDB NA NA +HMDB01319 Pyridoxine 5'-phosphate C8H12NO6P 249.04022 http://www.hmdb.ca/metabolites/HMDB01319 PFEM_hmdb_metabocards_blood NA blood +HMDB01319 Pyridoxine 5'-phosphate C8H12NO6P 249.04022 HMDB01319 PFEM_hmdb_metabocards_official NA NA +HMDB01319 Pyridoxine 5'-phosphate C8H12NO6P 249.040222 NA HMDB2010 NA NA +MJ015255 Pyridoxine phosphate C8H12NO6P 249.040223 NA MeJP NA NA +MetaCyc02263 pyridoxine-5'-phosphate [pyridoxine-phosphate;pyridoxine-5P;pyridoxine-P;] C8H12N1O6P1 249.040224 447-05-2 metacyc NA NA +MJ015256 Zoliprofen C12H11NO3S 249.045963 NA MeJP NA NA +MetaCyc02264 (Z)-2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide [] C11H9N2O5 249.051146 NA metacyc NA NA +MetaCyc02265 (E)-2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide [] C11H9N2O5 249.051146 NA metacyc NA NA +MJ015257 Nitramisole C11H11N3O2S 249.057197 NA MeJP NA NA +MJ015258 Sulfapyridine C11H11N3O2S 249.057197 NA MeJP NA NA +MJ015259 Mimosamycin; 4-Hydroxy C12H11NO5 249.063722 NA MeJP NA NA +MJ015260 Fluorodopan C9H13ClFN3O2 249.068032 NA MeJP NA NA +PJ000096 CQ C8H15N3O4S 249.0783 NA PeJP NA NA +MJ015261 2-(3,4-Methylenedioxyphenyl)quinoline C16H11NO2 249.078978 NA MeJP NA NA +MJ015262 2-Phenyl-4-quinolinecarboxylic acid C16H11NO2 249.078978 NA MeJP NA NA +MJ015263 4,5-Dehydroanhydrolycorine C16H11NO2 249.078978 NA MeJP NA NA +MJ015264 8-Quinolinol; Benzoyl C16H11NO2 249.078978 NA MeJP NA NA +MJ015265 Anhydrolycorinium C16H12NO2(+) 249.078978 NA MeJP NA NA +C10661 Dubamine C16H11NO2 249.079 NA KEGG NA NA +MJ015266 Penimide C13H15NO2S 249.082349 NA MeJP NA NA +C01136 S-Acetyldihydrolipoamide C10H19NO2S2 249.0857 NA KEGG NA NA +HMDB01526 S-Acetyldihydrolipoamide C10H19NO2S2 249.08572 http://www.hmdb.ca/metabolites/HMDB01526 HMDB NA NA +MJ015267 S-Acetyldihydrolipoamide C10H19NO2S2 249.08572 NA MeJP NA NA +MetaCyc02266 S-acetyldihydrolipoamide [6-S-Acetyldihydrolipoamide;] C10H19N1O2S2 249.08572 NA metacyc NA NA +HMDB01526 S-Acetyldihydrolipoamide C10H19NO2S2 249.08572 HMDB01526 PFEM_hmdb_metabocards_official NA NA +HMDB01526 S-Acetyldihydrolipoamide C10H19NO2S2 249.085724 NA HMDB2010 NA NA +HMDB06878 S-Acetyldihydrolipoamide-E C10H19NO2S2 249.085724 NA HMDB2010 NA NA +MJ015268 6-Amino-2-hydroxypurine; 1-Me, 6,9-di-Ac C10H11N5O3 249.086189 NA MeJP NA NA +MJ015269 Daniquidone C15H11N3O 249.090211 NA MeJP NA NA +MJ015270 Eudistomin A; Debromo C15H11N3O 249.090211 NA MeJP NA NA +MJ015271 Bexlosteride C14H16ClNO 249.092041 NA MeJP NA NA +MJ015272 Sercloremine C14H16ClNO 249.092041 NA MeJP NA NA +PJ000097 GSS C8H15N3O6 249.0961 NA PeJP NA NA +3091 gluten A4 exorphin GYYP 249.0995 MH2+ Inhouse_peptide NA peptide +MJ015273 2,4,7,8-Quinolinetetrol; NH-form, O4,O7,O8,N-Tetra-Me C13H15NO4 249.100107 NA MeJP NA NA +MJ015274 5,6,7,8-Tetramethoxyisoquinoline C13H15NO4 249.100107 NA MeJP NA NA +MJ015275 5,6,7-Trimethoxy-2-methyl-1(2H)-isoquinolinone C13H15NO4 249.100107 NA MeJP NA NA +MJ015276 Anhalonine, N-Formyl C13H15NO4 249.100107 NA MeJP NA NA +MJ015277 Haplosine C13H15NO4 249.100107 NA MeJP NA NA +MJ015278 Spirostaphylotrichin O; 4-Ketone, N-demethoxy C13H15NO4 249.100107 NA MeJP NA NA +MJ015279 5,8-Dihydroxy-4,7-dimethoxy-2,6-dimethylisoquinolinium(1+) C13H16NO4(+) 249.100108 NA MeJP NA NA +CJpos0632 Creatinine (and isomer) [(2M+Na)]+ (13C) C713CH14N6NaO2 249.102575 C18rt(min)=0.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0632 Creatinine (and isomer) [(2M+Na)]+ (13C) C713CH14N6NaO2 249.102575 C18rt(min)=0.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ015280 2-(4-Azidophenoxy)-2-methylpropanoic acid; Et ester C12H15N3O3 249.111341 NA MeJP NA NA +MJ015281 2-[(2-Acetamidopropanoyl)amino]benzamide C12H15N3O3 249.111341 NA MeJP NA NA +MJ015282 Oxibendazole C12H15N3O3 249.111341 NA MeJP NA NA +MJ015283 Siderochelin C C12H15N3O3 249.111341 NA MeJP NA NA +PJ000098 CK C9H19N3O3S 249.1147 NA PeJP NA NA +MJ015284 Lansamide I, N-De-Me C17H15NO 249.115364 NA MeJP NA NA +3552 a-lactorphin (50-53) YGLF 249.118 MH2+ Inhouse_peptide NA peptide +3554 a-lactokinin (a-La 50-53) ACE inhibitor YGLF 249.118 MH2+ Inhouse_peptide NA peptide +MJ015285 6-(2-Thienyl)-2,4-hexadienoic acid isobutylamide C14H19NOS 249.118734 NA MeJP NA NA +MJ015286 Conagenin C10H19NO6 249.121237 NA MeJP NA NA +MJ015287 1'-Methylzeatin, 2-Hydroxy C11H15N5O2 249.122574 NA MeJP NA NA +MJ015288 Cyclobut A C11H15N5O2 249.122574 NA MeJP NA NA +MJ015289 Epinastine C16H15N3 249.126597 NA MeJP NA NA +3803 NA VGVAPG 249.1335 MH2+ Inhouse_peptide NA peptide +MJ015290 3,4,4a,10b-Tetrahydro-4-propyl-2H,5H[1]benzopyrano[4,3-b]-1,4-oxazin-9-ol C14H19NO3 249.136493 NA MeJP NA NA +MJ015291 Allosecurinine, 14,15-Dihydro, 15?-methoxy C14H19NO3 249.136493 NA MeJP NA NA +MJ015292 Anhalonine, N-Et C14H19NO3 249.136493 NA MeJP NA NA +MJ015293 Pleurospermine C14H19NO3 249.136493 NA MeJP NA NA +MJ015294 Ruspolinone C14H19NO3 249.136493 NA MeJP NA NA +MJ015295 Anhalonine, N-Di-Me C14H20NO3(+) 249.136493 NA MeJP NA NA +C10169 Ruspolinone C14H19NO3 249.1365 NA KEGG NA NA +C15032 1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone C14H19NO3 249.1365 NA KEGG NA NA +MJ015296 10-(Methylsulfonyl)decanoic acid; Amide C11H23NO3S 249.139864 NA MeJP NA NA +MJ015297 Amidantel C13H19N3O2 249.147726 NA MeJP NA NA +MJ015298 1,2,3,5,6,10-Hexahydro-6-phenylpyrrolo[2,1-a]isoquinoline C18H19N 249.151749 NA MeJP NA NA +MJ015299 Benzoctamine C18H19N 249.151749 NA MeJP NA NA +MJ015300 Primaperone C15H20FNO 249.152892 NA MeJP NA NA +MJ015301 Tenocyclidine C15H23NS 249.15512 NA MeJP NA NA +MJ015302 2,3-Dihydro-1-(2-methyl-1,3-dioxo-8-decenyl)-1H-pyrrole C15H23NO2 249.172878 NA MeJP NA NA +MJ015303 2-Amino-2-phenylacetic acid, Heptyl ester C15H23NO2 249.172878 NA MeJP NA NA +MJ015304 2-Benzyl-4-(diethylamino)butanoic acid C15H23NO2 249.172878 NA MeJP NA NA +MJ015305 Alprenolol C15H23NO2 249.172878 NA MeJP NA NA +MJ015306 Castoramine C15H23NO2 249.172878 NA MeJP NA NA +MJ015307 Ciramadol C15H23NO2 249.172878 NA MeJP NA NA +MJ015308 Dendrobine, N-De-Me C15H23NO2 249.172878 NA MeJP NA NA +MJ015309 Deoxynupharidine, 7-Epimer, N-oxide C15H23NO2 249.172878 NA MeJP NA NA +MJ015310 Deoxynupharidine, 9?-Hydroxy C15H23NO2 249.172878 NA MeJP NA NA +MJ015311 Deoxynupharidine, N-Oxide C15H23NO2 249.172878 NA MeJP NA NA +MJ015312 Isobucaine C15H23NO2 249.172878 NA MeJP NA NA +MJ015313 Isocastoramine C15H23NO2 249.172878 NA MeJP NA NA +MJ015314 Lophocerine C15H23NO2 249.172878 NA MeJP NA NA +MJ015315 Mabuprofen C15H23NO2 249.172878 NA MeJP NA NA +MJ015316 Nuphamine C15H23NO2 249.172878 NA MeJP NA NA +MJ015317 Nupharolutine C15H23NO2 249.172878 NA MeJP NA NA +MJ015318 Polonicumtoxin C; O-(3-Butenoyl) C15H23NO2 249.172878 NA MeJP NA NA +MJ015319 Procinolol C15H23NO2 249.172878 NA MeJP NA NA +C09571 Lophocerine C15H23NO2 249.1729 NA KEGG NA NA +C17463 Nupharidine C15H23NO2 249.1729 NA KEGG NA NA +MJ015320 Spermidine; N'-Benzoyl C14H23N3O 249.184112 NA MeJP NA NA +MJ015321 5-Fluoro-1,2,3,4-tetrahydro-2-naphthylamine, N,N-Dipropyl C16H24FN 249.189277 NA MeJP NA NA +MJ015322 11-Formamido-5-eudesmene C16H27NO 249.209264 NA MeJP NA NA +MJ015323 2,4,8-Dodecatrienoic acid, 2-Methylpropylamide C16H27NO 249.209264 NA MeJP NA NA +MJ015324 2,4-Dodecadienoic acid, Pyrrolidide C16H27NO 249.209264 NA MeJP NA NA +MJ015325 2-Isothiocyanato-6-axeneamide C16H27NO 249.209264 NA MeJP NA NA +MJ015326 2-Isothiocyanatotrachyopsane; Formamide C16H27NO 249.209264 NA MeJP NA NA +MJ015327 4-Isothiocyanato-1-cadineneamide C16H27NO 249.209264 NA MeJP NA NA +MJ015328 6-Formamido-4(15)-eudesmene C16H27NO 249.209264 NA MeJP NA NA +MJ015329 Alkaloid L10 C16H27NO 249.209264 NA MeJP NA NA +MJ015330 Axamide 1 C16H27NO 249.209264 NA MeJP NA NA +MJ015331 Axamide 2 C16H27NO 249.209264 NA MeJP NA NA +MJ015332 Axamide 3 C16H27NO 249.209264 NA MeJP NA NA +MJ015333 Lycopodine, 5?-Alcohol C16H27NO 249.209264 NA MeJP NA NA +MJ015334 Theonelline formamide C16H27NO 249.209264 NA MeJP NA NA +MJ015335 2-(6-Heptenyl)-6-(4-pentenyl)piperidine C17H31N 249.245649 NA MeJP NA NA +MJ015336 3-Butyl-5-(4-pentenyl)indolizidine C17H31N 249.245649 NA MeJP NA NA +MJ015337 8-Ethyl-5-(1-ethyl-1-butenyl)-6-methylindolizidine C17H31N 249.245649 NA MeJP NA NA +6986 coeliac toxic peptide QQQP 249.613 MH2+ Inhouse_peptide NA peptide +C14707 Bromoform CHBr3 249.7628 NA KEGG NA NA +MJ015338 Tribromomethane CHBr3 249.762837 NA MeJP NA NA +MJ015339 2,4-Dibromophenol C6H4Br2O 249.86289 NA MeJP NA NA +MJ015340 2,6-Dibromophenol C6H4Br2O 249.86289 NA MeJP NA NA +C14521 2,4-Dibromophenol C6H4Br2O 249.8629 NA KEGG NA NA +C16247 2,6-Dibromophenol C6H4Br2O 249.8629 NA KEGG NA NA +C06646 2-(4'-Chlorophenyl)-3,3-dichloropropenoate C9H5Cl3O2 249.9355 NA KEGG NA NA +MJ015341 Bis[(methylthio)methyl] disulfide; 2,2,7,7-Tetraoxide C4H10O4S4 249.946191 NA MeJP NA NA +MetaCyc02267 tungstate [wolframate;] H2O4W1 249.946241 03/01/7783 metacyc NA NA +C12251 2-Iodo-6-methoxyphenol C7H7IO2 249.9491 NA KEGG NA NA +C11536 (2R)-O-Phospho-3-sulfolactate C3H7O9PS 249.9548 NA KEGG NA NA +MetaCyc02268 L-sulfolactate phosphate [2-phosphosulfolactate;L-2-phospho-3-sulfolactate;PSL;(2R)-phospho-3-sulfolactate;] C3H7O9P1S1 249.954839 NA metacyc NA NA +MetaCyc02269 (2R)-O-phospho-3-sulfolactate [] C3H7O9P1S1 249.954839 NA metacyc NA NA +MJ015342 Luciola Oxyluciferin C10H6N2O2S2 249.987068 NA MeJP NA NA +MetaCyc02270 oxidized photinus luciferin [] C10H6N2O2S2 249.987069 NA metacyc NA NA +C03797 Oxidized Photinus luciferin C10H6N2O2S2 249.9871 NA KEGG NA NA +C03798 Peptidylproline (omega=180) C6H8N2O2R2 249.9871 NA KEGG NA NA +C03799 Polyprenylphosphate-glucose C11H21O9P 249.9871 NA KEGG NA NA +C03800 Protein S-methyl-L-cysteine C5H8N2O2SR2 249.9871 NA KEGG NA NA +C03801 Pteroylpoly-gamma-glutamate C24H26N8O9 249.9871 NA KEGG NA NA +C03802 Ribonucleoside triphosphate C5H12O13P3R 249.9871 NA KEGG NA NA +C03803 Ribosomal-protein L-alanine C3H7N2OR 249.9871 NA KEGG NA NA +C06643 4,4'-Dichlorobenzophenone C13H8Cl2O 249.9952 NA KEGG NA NA +MJ015343 4,4'-Dichlorobenzophenone C13H8Cl2O 249.99522 NA MeJP NA NA +MJ015344 Thienodolin C11H7ClN2OS 249.996761 NA MeJP NA NA +C09245 Thienodolin C11H7ClN2OS 249.9968 NA KEGG NA NA +MJ015345 5,7-Dinitro-2,3-quinoxalinedione C8H2N4O6 249.997433 NA MeJP NA NA +MJ015346 7,8-Dichloro-9-methyl-?-carboline C12H8Cl2N2 250.006453 NA MeJP NA NA +MJ015347 4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol C12H10O2S2 250.01222 NA MeJP NA NA +MJ015348 ?-Methyl-5-(2-thienylethynyl)-2-thiophenemethanol; 2''-Hydroxy C12H10O2S2 250.01222 NA MeJP NA NA +MJ015349 3-Bromomethyl-3-chloro-7-methyl-1,6-octadiene C10H16BrCl 250.01239 NA MeJP NA NA +HMDB01474 3,4-Dihydroxyphenylglycol O-sulfate C8H10O7S 250.01472 http://www.hmdb.ca/metabolites/HMDB01474 HMDB NA NA +HMDB01474 3,4-Dihydroxyphenylglycol O-sulfate C8H10O7S 250.01472 HMDB01474 PFEM_hmdb_metabocards_official NA NA +HMDB01474 3,4-Dihydroxyphenylglycol O-sulfate C8H10O7S 250.014725 NA HMDB2010 NA NA +MJ015350 Ajoene; 9-Oxide C9H14O2S3 250.015591 NA MeJP NA NA +MJ015351 1-(3,5-Dichloro-4-methoxyphenyl)-1,2-propanediol C10H12Cl2O3 250.016349 NA MeJP NA NA +C16152 Blue pigment C10H6N2O6 250.0226 NA KEGG NA NA +C14216 4,4'-Sulfonyldiphenol C12H10O4S 250.03 NA KEGG NA NA +C15123 1,1-Dichloro-2,2-diphenylethane C14H12Cl2 250.0316 NA KEGG NA NA +C15410 1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane C14H12Cl2 250.0316 NA KEGG NA NA +MJ015352 Pterulone; 6-Hydroxy C13H11ClO3 250.039671 NA MeJP NA NA +MJ015353 Perfragilin A C11H10N2O3S 250.041212 NA MeJP NA NA +MJ015354 2',4'-Difluoro-4-hydroxy-3-biphenylcarboxylic acid C13H8F2O3 250.04415 NA MeJP NA NA +C01691 Diflunisal C13H8F2O3 250.0442 NA KEGG NA NA +CJneg0468 Hydroxyphenyllactic acid [(M-H)+(HCOONa)]- C10H10NaO6 250.045925 C18rt(min)=5.22 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0468 Hydroxyphenyllactic acid [(M-H)+(HCOONa)]- C10H10NaO6 250.045925 C18rt(min)=5.22 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C07734 2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dienoate C12H10O6 250.0477 NA KEGG NA NA +C07735 Transferred to D00633 C12H10O6 250.0477 NA KEGG NA NA +MJ015355 2,2',4,4',5,5'-Biphenylhexol C12H10O6 250.047738 NA MeJP NA NA +MJ015356 2,2',4,4',6,6'-Biphenylhexol C12H10O6 250.047738 NA MeJP NA NA +MJ015357 2,3',4,5',6-Pentahydroxydiphenyl ether C12H10O6 250.047738 NA MeJP NA NA +MJ015358 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthoquinone; 2-Me ether C12H10O6 250.047738 NA MeJP NA NA +MJ015359 2,5,7,8-Tetrahydroxy-1,4-naphthoquinone; 2,7-Di-Me ether C12H10O6 250.047738 NA MeJP NA NA +MJ015360 2,5,7,8-Tetrahydroxy-3,6-dimethyl-1,4-naphthoquinone C12H10O6 250.047738 NA MeJP NA NA +MJ015361 2-Ethyl-3,5,6,8-tetrahydroxy-1,4-naphthoquinone C12H10O6 250.047738 NA MeJP NA NA +MJ015362 3-Ethyl-1,4,5,8-tetrahydroxy-2,6-naphthoquinone C12H10O6 250.047738 NA MeJP NA NA +MJ015363 5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 5,6-Methylene, 7,8-di-Me ether C12H10O6 250.047738 NA MeJP NA NA +MJ015364 5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 6,7-Methylene, 5,8-di-Me ether C12H10O6 250.047738 NA MeJP NA NA +MJ015365 5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 7,8-Methylene, 5,6-di-Me ether C12H10O6 250.047738 NA MeJP NA NA +MJ015366 6,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one; 6-(Carboxymethyl) ether C12H10O6 250.047738 NA MeJP NA NA +MJ015367 6-Ethyl-2,5-dihydroxy-1,4-naphthoquinone; 3,7-Dihydroxy C12H10O6 250.047738 NA MeJP NA NA +MJ015368 Rhizosolaniol C12H10O6 250.047738 NA MeJP NA NA +MJ015369 Stenocarpin C12H10O6 250.047738 NA MeJP NA NA +MJ015370 2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dienoate C12H10O6 250.047738 NA MeJP NA NA +MetaCyc02271 6-(2-hydroxyphenoxy)-2-hydroxy-muconate [6-(2-hydroxyphenoxy)-2-hydroxy-muconic acid;2,3-hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate;] C12H10O6 250.047738 NA metacyc NA NA +C07658 Sulfadiazine C10H10N4O2S 250.0524 NA KEGG NA NA +MJ015371 Pirinidazole C10H10N4O2S 250.052446 NA MeJP NA NA +MJ015372 Sulfadiazine C10H10N4O2S 250.052446 NA MeJP NA NA +MJ015373 Sulfapyrazine C10H10N4O2S 250.052446 NA MeJP NA NA +MJ015374 Sulfapyridazine C10H10N4O2S 250.052446 NA MeJP NA NA +EUR425 Deoxyuridine F2 F2 250.058375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR425 Deoxyuridine F2 NA 250.058375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR425 Deoxyuridine F2 F2 250.058375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR425 Deoxyuridine F2 NA 250.058375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR425 Deoxyuridine F2 F2 250.058375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR425 Deoxyuridine F2 NA 250.058375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR425 Deoxyuridine F2 F2 250.058375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR425 Deoxyuridine F2 F2 250.058375 standards wishlist analysés sur QTOF HMDB NA NA +EUR425 Deoxyuridine F2 F2 250.058375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR425 Deoxyuridine F2 NA 250.058375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR425 Deoxyuridine F2 F2 250.058375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR425 Deoxyuridine F2 F2 250.058375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ015375 Rehmaglutin A; 7-Deoxy, 7?-chloro, 3?-methoxy C10H15ClO5 250.060801 NA MeJP NA NA +MJ015376 Rehmaglutin A; 7-Deoxy, 7?-chloro, 3?-methoxy C10H15ClO5 250.060801 NA MeJP NA NA +C00669 gamma-L-Glutamyl-L-cysteine C8H14N2O5S 250.0623 NA KEGG NA NA +MJ015377 gamma-L-Glutamyl-L-cysteine C8H14N2O5S 250.062342 NA MeJP NA NA +MetaCyc02272 L-γ-glutamylcysteine [γ-glutamylcysteine;γ-L-glutamyl-L-cysteine;] C8H14N2O5S1 250.062342 686-58-8 metacyc NA NA +HMDB01049 Gamma-Glutamylcysteine C8H14N2O5S 250.062347 NA HMDB2010 NA NA +HMDB01049 gamma-Glutamylcysteine C8H14N2O5S 250.06235 http://www.hmdb.ca/metabolites/HMDB01049 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01049 gamma-Glutamylcysteine C8H14N2O5S 250.06235 http://www.hmdb.ca/metabolites/HMDB01049 HMDB NA NA +HMDB01049 Gamma-Glutamylcysteine C8H14N2O5S 250.06235 NA ;SYN:Thyroxine sulfate; Thyroxine sulfic acid;L-Thyroxine sulfate; T4S; 3,5,3',5'-tetraiodo-L-thyronine 4'-O-sulfate; 3-[4-(4-hydroxy-3,5-diiodophenoxy-4-O-sulfate)-3,5-diiodophenyl]-L-alanine; O-(4-hydroxy-3,5-diiodophenyl-4-O-sulfate)-3,5-diiodo-L-tyrosine; 3,5,3',5'-tetraiodo-L-thyronine 4-O-sulfate; L-Thyroxine 4'-O-sulfateH2Blood Inhouse_peptide NA peptide +HMDB01049 gamma-Glutamylcysteine C8H14N2O5S 250.06235 http://www.hmdb.ca/metabolites/HMDB01049 PFEM_hmdb_metabocards_blood NA blood +HMDB01049 gamma-Glutamylcysteine C8H14N2O5S 250.06235 HMDB01049 PFEM_hmdb_metabocards_official NA NA +PJ000099 CE C8H14N2O5S 250.0624 NA PeJP NA NA +MJ015378 2-(5-Methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene C13H14O3S 250.066365 NA MeJP NA NA +MJ015379 2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene, S-Oxide C13H14O3S 250.066365 NA MeJP NA NA +MJ015380 6-(1-Oxopropyl)-2,4(1H,3H)-pteridinedione; 3-Me, 3'-hydroxy C10H10N4O4 250.070204 NA MeJP NA NA +MJ015381 Midafotel C8H15N2O5P 250.071858 NA MeJP NA NA +MJ015382 1-Hydroxycanthin-6-one; Me ether C15H10N2O2 250.074227 NA MeJP NA NA +MJ015383 10-Hydroxycanthin-6-one; Me ether C15H10N2O2 250.074227 NA MeJP NA NA +MJ015384 11-Hydroxycanthin-6-one; Me ether C15H10N2O2 250.074227 NA MeJP NA NA +MJ015385 2-Hydroxycanthin-6-one; Me ether C15H10N2O2 250.074227 NA MeJP NA NA +MJ015386 3H-Indolo[3,2,1-de][1,5]naphthyridine-2,6-dione; N3-Me C15H10N2O2 250.074227 NA MeJP NA NA +MJ015387 4-Hydroxycanthin-6-one; Me ether C15H10N2O2 250.074227 NA MeJP NA NA +MJ015388 5-Hydroxycanthin-6-one; Me ether C15H10N2O2 250.074227 NA MeJP NA NA +MJ015389 5-Hydroxymethylcanthin-6-one C15H10N2O2 250.074227 NA MeJP NA NA +MJ015390 9-Hydroxycanthin-6-one; Me ether C15H10N2O2 250.074227 NA MeJP NA NA +MJ015391 Picrasidine L C15H10N2O2 250.074227 NA MeJP NA NA +MJ015392 Clofurac C14H15ClO2 250.076057 NA MeJP NA NA +MJ015393 Brassitin; 1-Methoxy C12H14N2O2S 250.077598 NA MeJP NA NA +C16765 Citrinin C13H14O5 250.0841 NA KEGG NA NA +MJ015394 2-Acetyl-5,6-dimethoxybenzofuran; 4-Methoxy C13H14O5 250.084123 NA MeJP NA NA +MJ015395 3,4,6-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; Tri-Me ether C13H14O5 250.084123 NA MeJP NA NA +MJ015396 3,4,8-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; Tri-Me ether C13H14O5 250.084123 NA MeJP NA NA +MJ015397 3-(4-Hydroxyphenyl)-2-pentenedioic acid, 5-Et ester C13H14O5 250.084123 NA MeJP NA NA +MJ015398 4,6,7-Trihydroxy-3,5-dimethyl-2H-1-benzopyran-2-one; 4,6-Di-Me ether C13H14O5 250.084123 NA MeJP NA NA +MJ015399 4,6,7-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; Tri-Me ether C13H14O5 250.084123 NA MeJP NA NA +MJ015400 4-Acetyl-3,4-dihydro-3,6,8-trihydroxy-3-methyl-1(2H)-naphthalenone C13H14O5 250.084123 NA MeJP NA NA +MJ015401 4-Acetyl-6,8-dihydroxy-5-methyl-1H-2-benzopyran-1-one; 3,4-Dihydro, 6-Me ether C13H14O5 250.084123 NA MeJP NA NA +MJ015402 5,6,7-Trihydroxy-2,8-dimethyl-4H-1-benzopyran-4-one; 6,7-Di-Me ether C13H14O5 250.084123 NA MeJP NA NA +MJ015403 5-Hydroxy-7-hydroxymethyl-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid C13H14O5 250.084123 NA MeJP NA NA +MJ015404 6,8-Dihydroxy-3-(2-hydroxypropyl)-7-methyl-1H-2-benzopyran-1-one C13H14O5 250.084123 NA MeJP NA NA +MJ015405 Achilleppolide C13H14O5 250.084123 NA MeJP NA NA +MJ015406 Allamcin C13H14O5 250.084123 NA MeJP NA NA +MJ015407 Altholactone; 7a-Epimer, 6,7-dihydro, 7?-hydroxy C13H14O5 250.084123 NA MeJP NA NA +MJ015408 Arthropsolide D; 7-Ketone C13H14O5 250.084123 NA MeJP NA NA +MJ015409 Caleteucrin C13H14O5 250.084123 NA MeJP NA NA +MJ015410 Citrinin C13H14O5 250.084123 NA MeJP NA NA +MJ015411 Diaporthin C13H14O5 250.084123 NA MeJP NA NA +MJ015412 Goniodiol; 5?-Hydroxy C13H14O5 250.084123 NA MeJP NA NA +MJ015413 Goniofufurone C13H14O5 250.084123 NA MeJP NA NA +MJ015414 Goniofupyrone C13H14O5 250.084123 NA MeJP NA NA +MJ015415 Goniopypyrone C13H14O5 250.084123 NA MeJP NA NA +MJ015416 Macassaric acid C13H14O5 250.084123 NA MeJP NA NA +MJ015417 Papulinone C13H14O5 250.084123 NA MeJP NA NA +MJ015418 Pseudotaxlactone C13H14O5 250.084123 NA MeJP NA NA +MJ015419 Rhacodione B; 6-Me ether C13H14O5 250.084123 NA MeJP NA NA +MJ015420 Salicifoliol C13H14O5 250.084123 NA MeJP NA NA +MJ015421 Samin C13H14O5 250.084123 NA MeJP NA NA +MJ015422 Olprinone C14H10N4O 250.08546 NA MeJP NA NA +C17222 2-(5'-Methylthio)pentylmalic acid C10H18O5S 250.0875 NA KEGG NA NA +C17223 3-(5'-Methylthio)pentylmalic acid C10H18O5S 250.0875 NA KEGG NA NA +MJ015423 5-Methoxy-5-(4-methoxyphenyl)-3-methyl-2,4-imidazolidinedione C12H14N2O4 250.095356 NA MeJP NA NA +MJ015424 Cyclo(seryltyrosyl) C12H14N2O4 250.095356 NA MeJP NA NA +MJ015425 Ruvazone C12H14N2O4 250.095356 NA MeJP NA NA +CJneg0469 Tryptophan isomer [(M-H)+(HCOOH)]- C12H13N2O4 250.095925 C18rt(min)=5.26 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0469 Tryptophan isomer [(M-H)+(HCOOH)]- C12H13N2O4 250.095925 C18rt(min)=5.26 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +PJ000100 TM C9H18N2O4S 250.0987 NA PeJP NA NA +MJ015426 2-(2-Phenylethyl)-4H-1-benzopyran-4-one C17H14O2 250.099379 NA MeJP NA NA +MJ015427 2-(4-Hydroxyphenyl)-5-(1-propenyl)benzofuran C17H14O2 250.099379 NA MeJP NA NA +MJ015428 Effusol; 9,10-Didehydro C17H14O2 250.099379 NA MeJP NA NA +C09007 Flindersiachromone C17H14O2 250.0994 NA KEGG NA NA +MJ015429 6-(1-Hydroxypropyl)lumazine, 1,3-Di-Me C11H14N4O3 250.10659 NA MeJP NA NA +MJ015430 Aristeromycin M C11H14N4O3 250.10659 NA MeJP NA NA +MJ015431 Tubercidin; 5'-Deoxy C11H14N4O3 250.10659 NA MeJP NA NA +C07560 Methaqualone C16H14N2O 250.1106 NA KEGG NA NA +C10642 Arborine C16H14N2O 250.1106 NA KEGG NA NA +C10687 Glycophymoline C16H14N2O 250.1106 NA KEGG NA NA +C15039 3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile C16H14N2O 250.1106 NA KEGG NA NA +MJ015432 2-Benzyl-1-methyl-4(1H)-quinazolinone C16H14N2O 250.110613 NA MeJP NA NA +MJ015433 2-Benzyl-4-methoxyquinazoline C16H14N2O 250.110613 NA MeJP NA NA +MJ015434 Methaqualone C16H14N2O 250.110613 NA MeJP NA NA +MJ015435 Brasilenyne C15H19ClO 250.112442 NA MeJP NA NA +MJ015436 Laurenyne C15H19ClO 250.112442 NA MeJP NA NA +MJ015437 Pterosin H C15H19ClO 250.112442 NA MeJP NA NA +MJ015438 Venustinene C15H19ClO 250.112442 NA MeJP NA NA +7932 synthetic peptide RYY 250.1135 MH2+ Inhouse_peptide NA peptide +7935 synthetic peptide YRY 250.1135 MH2+ Inhouse_peptide NA peptide +7938 synthetic peptide YYR 250.1135 MH2+ Inhouse_peptide NA peptide +MJ015439 Pseudaminic acid C9H18N2O6 250.116486 NA MeJP NA NA +MJ015440 Echiguanine B C10H14N6O2 250.117823 NA MeJP NA NA +CJpos0633 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)-(C6H10O7)]+ C14H19O4 250.119975 C18rt(min)=8.68 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0633 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)-(C6H10O7)]+ C14H19O4 250.119975 C18rt(min)=8.68 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C09015 Methylripariochromene A C14H18O4 250.1205 NA KEGG NA NA +C14468 Diisopropyl phthalate C14H18O4 250.1205 NA KEGG NA NA +C14469 Di-n-propylphthalate C14H18O4 250.1205 NA KEGG NA NA +MJ015441 1,4,8-Trihydroxy-13-nor-1,3,5,9-bisabolatetraen-11-one C14H18O4 250.120509 NA MeJP NA NA +MJ015442 1-(Tetrahydro-2-pyranyl)-7-nonene-3,5-diyne-1,2,9-triol C14H18O4 250.120509 NA MeJP NA NA +MJ015443 1-[3-Hydroxy-4-(hydroxymethyl)phenyl]-1,5-heptadiene-3,4-diol C14H18O4 250.120509 NA MeJP NA NA +MJ015444 11-Hydroxy-3-oxo-13-nor-7(11)-eudesmen-12,6-olide C14H18O4 250.120509 NA MeJP NA NA +MJ015445 13-Nor-4-oxo-7(11)-pseudoguaien-12,6-olide, 11-Hydroxy C14H18O4 250.120509 NA MeJP NA NA +MJ015446 2',4',6'-Trihydroxyacetophenone; 4'-O-(3-Methyl-2-butenyl), 2'-Me ether C14H18O4 250.120509 NA MeJP NA NA +MJ015447 2,4,6-Trihydroxy-3-prenylacetophenone; 2-Me ether C14H18O4 250.120509 NA MeJP NA NA +MJ015448 2,4,6-Trihydroxy-3-prenylacetophenone; 6-Me ether C14H18O4 250.120509 NA MeJP NA NA +MJ015449 2,4-Dihydroxy-6-methyl-3-prenylbenzoic acid; Me ester C14H18O4 250.120509 NA MeJP NA NA +MJ015450 2-(3-Methyl-2-oxiranyl)-1,4-benzenediol; 4-Me ether, 1-O-(2-methylpropanoyl) C14H18O4 250.120509 NA MeJP NA NA +MJ015451 2-Formyl-3-hydroxybenzoic acid; Acid-form, Hexyl ester C14H18O4 250.120509 NA MeJP NA NA +MJ015452 3-Hexyl-3,7-dihydroxy-1(3H)-isobenzofuranone C14H18O4 250.120509 NA MeJP NA NA +MJ015453 4,5-Epoxy-11-hydroxy-13-nor-7(11)-guaien-12,8-olide C14H18O4 250.120509 NA MeJP NA NA +MJ015454 4-(3,4-Dihydroxyphenyl)-3-buten-1-ol, 3',4'-Di-Me ether, 1-Ac C14H18O4 250.120509 NA MeJP NA NA +MJ015455 6,8-Dimethoxy-2,2-dimethyl-2H-1-benzopyran; 7-Methoxy C14H18O4 250.120509 NA MeJP NA NA +MJ015456 9-(Tetrahydropyran-2-yl)-2,8-nonadiene-4,6-diyn-1-ol, 8,9-Dihydro, 8,9-dihydroxy C14H18O4 250.120509 NA MeJP NA NA +MJ015457 Cinoxate C14H18O4 250.120509 NA MeJP NA NA +MJ015458 Gregatin B C14H18O4 250.120509 NA MeJP NA NA +MJ015459 Hyperolactone A C14H18O4 250.120509 NA MeJP NA NA +MJ015460 Illifunone, 2,3-Didehydro C14H18O4 250.120509 NA MeJP NA NA +MJ015461 Lachnumfuran A C14H18O4 250.120509 NA MeJP NA NA +MJ015462 Norsantolinidilactone A C14H18O4 250.120509 NA MeJP NA NA +MJ015463 Norsecoglutinosone C14H18O4 250.120509 NA MeJP NA NA +MJ015464 Panellol; 3-Ketone C14H18O4 250.120509 NA MeJP NA NA +MJ015465 Parvulenone; 1'-Et ether C14H18O4 250.120509 NA MeJP NA NA +MJ015466 Pterosin C, 11-Hydroxy C14H18O4 250.120509 NA MeJP NA NA +MJ015467 Pterosin T C14H18O4 250.120509 NA MeJP NA NA +MJ015468 Trichocolein C14H18O4 250.120509 NA MeJP NA NA +MJ015469 Vertinolide C14H18O4 250.120509 NA MeJP NA NA +MJ015470 liquinone C14H18O4 250.120509 NA MeJP NA NA +HMDB02012 Ubiquinone C14H18O4 250.12051 http://www.hmdb.ca/metabolites/HMDB02012 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02012 Ubiquinone C14H18O4 250.12051 http://www.hmdb.ca/metabolites/HMDB02012 HMDB NA NA +HMDB02012 Ubiquinone C14H18O4 250.12051 http://www.hmdb.ca/metabolites/HMDB02012 PFEM_hmdb_metabocards_blood NA blood +HMDB02012 Ubiquinone C14H18O4 250.12051 HMDB02012 PFEM_hmdb_metabocards_official NA NA +HMDB02012 Ubiquinone Q1 C14H18O4 250.120514 NA HMDB2010 NA NA +MJ015471 4,8-Dimethyl-3-nonen-1-ol, O-Sulfate C11H22O4S 250.123879 NA MeJP NA NA +MJ015472 Flucindole C14H16F2N2 250.128154 NA MeJP NA NA +C03002 N-Caffeoylputrescine C13H18N2O3 250.1317 NA KEGG NA NA +C17725 Heptabarbital C13H18N2O3 250.1317 NA KEGG NA NA +MJ015473 4-Coumaroylputrescine; 4S-Hydroxy C13H18N2O3 250.131742 NA MeJP NA NA +MJ015474 Heptabarb C13H18N2O3 250.131742 NA MeJP NA NA +MJ015475 Paucine C13H18N2O3 250.131742 NA MeJP NA NA +MetaCyc02273 N-caffeoylputrescine [] C13H18N2O3 250.131742 NA metacyc NA NA +MJ015476 3-Phenyl-2-propen-1-ol, (1-Phenyl-2-propenyl) ether C18H18O 250.135765 NA MeJP NA NA +MJ015477 3-Phenyl-2-propen-1-ol, (3-Phenyl-1-propenyl) ether C18H18O 250.135765 NA MeJP NA NA +MJ015478 3-Phenyl-2-propen-1-ol, (3-Phenyl-2E-propenyl) ether C18H18O 250.135765 NA MeJP NA NA +MJ015479 9,10-Dihydro-2-hydroxy-1,6-dimethyl-7-vinylphenanthrene C18H18O 250.135765 NA MeJP NA NA +MJ015480 Estra-1,3,5,7,9-pentaen-17-one C18H18O 250.135765 NA MeJP NA NA +C14541 (R)-4'-Deoxyindenestrol C18H18O 250.1358 NA KEGG NA NA +C14542 (S)-4'-Deoxyindenestrol C18H18O 250.1358 NA KEGG NA NA +C14543 (R)-5-Deoxyindenestrol C18H18O 250.1358 NA KEGG NA NA +C14544 (S)-5-Deoxyindenestrol C18H18O 250.1358 NA KEGG NA NA +MJ015481 Benzenecarbothioic acid; SH-form, S-Octyl ester C15H22OS 250.139136 NA MeJP NA NA +MJ015482 2-Methyl-1-butanol, O-?-D-Glucopyranoside C11H22O6 250.141638 NA MeJP NA NA +MJ015483 Fructose; ?-D-Furanose-form, Pentyl glycoside C11H22O6 250.141638 NA MeJP NA NA +MJ015484 Verofylline C12H18N4O2 250.142975 NA MeJP NA NA +MJ015485 Xanthine; 7H-form, 1,3-Dipropyl, 7-Me C12H18N4O2 250.142975 NA MeJP NA NA +MJ015486 1,2,3,4-Tetrahydroellipticine C17H18N2 250.146998 NA MeJP NA NA +MJ015487 Amfetaminil C17H18N2 250.146998 NA MeJP NA NA +MJ015488 Dazepinil C17H18N2 250.146998 NA MeJP NA NA +MJ015489 Guatambuine, N-De-Me C17H18N2 250.146998 NA MeJP NA NA +MJ015490 Uleine, N-De-Me, didehydro C17H18N2 250.146998 NA MeJP NA NA +2575 tuftsin TKPR 250.147 MH2+ Inhouse_peptide NA peptide +3027 kentsin TPRK 250.147 MH2+ Inhouse_peptide NA peptide +3624 NA TRKP 250.147 MH2+ Inhouse_peptide NA peptide +3739 NA TKRP 250.147 MH2+ Inhouse_peptide NA peptide +MJ015491 6,10-Diamino-2,3,5-trihydroxydecanoic acid C10H22N2O5 250.152871 NA MeJP NA NA +HMDB05770 Tuftsin C21H40N8O6 250.153534 MH2+ Inhouse_peptide NA peptide +MJ015492 1(10),8-Aristoladien-2-one; 8,9-Dihydro, 9?-hydroperoxy C15H22O3 250.156894 NA MeJP NA NA +MJ015493 1,10-Epoxy-11(13)-eremophilen-12,8-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015494 1,10-Epoxy-11(13)-eremophilen-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015495 1,10-Epoxy-12-hydroxy-4-bicyclogermacren-15-al C15H22O3 250.156894 NA MeJP NA NA +MJ015496 1,10-Epoxy-3,7-farnesadiene-2,9-dione C15H22O3 250.156894 NA MeJP NA NA +MJ015497 1,10-Epoxy-4-bicyclogermacren-15-al, 15-Carboxylic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015498 1,10:4,5-Diepoxy-7(11)-germacren-8-one C15H22O3 250.156894 NA MeJP NA NA +MJ015499 1,12-Dihydroxy-5,11(13)-eudesmadien-3-one C15H22O3 250.156894 NA MeJP NA NA +MJ015500 1,2-Dihydroxy-3-cedren-4-one C15H22O3 250.156894 NA MeJP NA NA +MJ015501 1,3,11(13)-Elematrien-12,8-olide, 11?,13-Dihydro, 3,4-epoxide C15H22O3 250.156894 NA MeJP NA NA +MJ015502 1,3,11(13)-Elematrien-12,8-olide, 15-Hydroxy, 11?,13-dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015503 1,3,5,7(14)-Bisabolatetraene-1,12,15-triol C15H22O3 250.156894 NA MeJP NA NA +MJ015504 1,3,5,7-Bisabolatetraene-1,12,15-triol C15H22O3 250.156894 NA MeJP NA NA +MJ015505 1,3-Dihydroxy-9,11-eremophiladien-8-one C15H22O3 250.156894 NA MeJP NA NA +MJ015506 1,4-Dihydroxy-7(11),9-guaiadien-8-one C15H22O3 250.156894 NA MeJP NA NA +MJ015507 1,5-Dihydroxy-1,3,5-bisabolatrien-10-one C15H22O3 250.156894 NA MeJP NA NA +MJ015508 1,7-Dihydroxy-2,9-illudadien-8-one, 8? -Alcohol C15H22O3 250.156894 NA MeJP NA NA +MJ015509 1-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015510 1-Hydroxy-2,6,10-farnesatrien-15,1-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015511 1-Hydroxy-3,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015512 1-Hydroxy-3,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015513 1-Hydroxy-3,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015514 1-Hydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015515 1-Hydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015516 1-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015517 1-Hydroxy-4(15)-eudesmen-12,6-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015518 1-Hydroxy-4,10(14)-germacradien-12,6-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015519 1-Hydroxy-4,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015520 1-Hydroxy-4-eudesmen-12,6-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015521 1-Hydroxy-5,11(13)-eudesmadien-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015522 1-Hydroxy-5-eudesmen-12,8-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015523 1-Hydroxy-9,11-germacradien-15,6-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015524 10(14)-Aromadendrene-4,8,13-triol, 13-Aldehyde C15H22O3 250.156894 NA MeJP NA NA +MJ015525 10,12-Dihydroxy-3-longipinen-5-one; 10?-form C15H22O3 250.156894 NA MeJP NA NA +MJ015526 10,12-Epoxy-2,7-nardosinanedione C15H22O3 250.156894 NA MeJP NA NA +MJ015527 10-Hydroxy-4,11-cadinadien-15-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015528 10-Hydroxy-7(11)-eremophilen-12,8-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015529 11,15-Epoxy-15-hydroxy-7-drimen-6-one C15H22O3 250.156894 NA MeJP NA NA +MJ015530 11-Hydroxy-5-silphiperfolen-13-oic acid; 11?-form C15H22O3 250.156894 NA MeJP NA NA +MJ015531 11-Hydroxy-6,9-eremophiladien-8-one; 11-Hydroperoxide C15H22O3 250.156894 NA MeJP NA NA +MJ015532 11-Hydroxy-7-drimen-12,11-olide; 11?-form C15H22O3 250.156894 NA MeJP NA NA +MJ015533 11-Hydroxy-8-drimen-12,11-olide; 11?-form C15H22O3 250.156894 NA MeJP NA NA +MJ015534 11-Hydroxy-8-drimen-12,11-olide; 11?-form C15H22O3 250.156894 NA MeJP NA NA +MJ015535 12,13-Epoxy-9-trichothecene; 12?-form, 8?-Hydroxy C15H22O3 250.156894 NA MeJP NA NA +MJ015536 12,14-Dihydroxy-3(15),6-caryophylladien-8-one C15H22O3 250.156894 NA MeJP NA NA +MJ015537 12-Hydroxy-1(10),4,7(11)-germacratrien-8-one, 4?,5?-Epoxide C15H22O3 250.156894 NA MeJP NA NA +MJ015538 12-Hydroxy-1(10),4-cadinadien-15-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015539 12-Hydroxy-1(10),7(11)-germacradiene-5,8-dione C15H22O3 250.156894 NA MeJP NA NA +MJ015540 13-Hydroxy-3-longipinen-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015541 13-Hydroxy-4(15),7(11)-eudesmadien-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015542 15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015543 15-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015544 15-Hydroxy-2,6,10-farnesatrien-1,15-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015545 15-Hydroxy-3,11(13)-eudesmadien-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015546 15-Hydroxy-4,10(14)-cadinadien-3-one; 10,14?-Epoxide C15H22O3 250.156894 NA MeJP NA NA +MJ015547 15-Hydroxy-4,11(13)-eudesmadien-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015548 2,10-Bisaboladiene-1,12-diol; 1-Ketone, 12-carboxylic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015549 2,13-Dihydroxy-6-protoilluden-8-one C15H22O3 250.156894 NA MeJP NA NA +MJ015550 2,3-Epoxy-11-hydroxy-8-daucen-10-one C15H22O3 250.156894 NA MeJP NA NA +MJ015551 2,6,9-Humulatrien-14-ol; 14-Carboxylic acid, 9?,10?-epoxide C15H22O3 250.156894 NA MeJP NA NA +MJ015552 2-Hydroxy-1(10),11-guaiadien-15-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015553 2-Hydroxy-3,11(13)-eudesmadien-12-oic acid; 2?-form C15H22O3 250.156894 NA MeJP NA NA +MJ015554 2-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015555 2-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid; 2?-form C15H22O3 250.156894 NA MeJP NA NA +MJ015556 2-Hydroxy-4,7(11)-valerenadien-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015557 2-Hydroxy-5-eudesmen-12,8-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015558 2-Hydroxy-6-oxo-4-pinguisen-11-al; 2?-form C15H22O3 250.156894 NA MeJP NA NA +MJ015559 2-Hydroxy-9,11(13)-eremophiladien-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015560 2-Hydroxybenzoic acid; 2-Ethylhexyl ester C15H22O3 250.156894 NA MeJP NA NA +MJ015561 2-Isopropyl-5-methyl-1,4-benzenediol; 2-Me ether, 5-(2-methylpropanoyl) C15H22O3 250.156894 NA MeJP NA NA +MJ015562 2-Oxo-1(10),11(13)-eremophiladien-12-oic acid; 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015563 3(15),6-Caryophylladiene-4,8,9-triol, 4-Ketone C15H22O3 250.156894 NA MeJP NA NA +MJ015564 3(15)-Longipinene-4,12,13-triol, 4-Ketone C15H22O3 250.156894 NA MeJP NA NA +MJ015565 3,11(13)-Eudesmadien-12-oic acid; 3?,4?-Epoxide C15H22O3 250.156894 NA MeJP NA NA +MJ015566 3,12-Dihydroxy-9,11(13)-eremophiladien-8-one C15H22O3 250.156894 NA MeJP NA NA +MJ015567 3,4-Dihydroxy-2(6)-africanen-5-one C15H22O3 250.156894 NA MeJP NA NA +MJ015568 3,7,8-Calamenenetriol C15H22O3 250.156894 NA MeJP NA NA +MJ015569 3,7-Dihydroxy-2(9)-illuden-8-one C15H22O3 250.156894 NA MeJP NA NA +MJ015570 3,7-Dihydroxy-9,11-eremophiladien-8-one C15H22O3 250.156894 NA MeJP NA NA +MJ015571 3,8,14-Trihydroxy-6-lactaren-5,14-olide, 3,14-Dideoxy C15H22O3 250.156894 NA MeJP NA NA +MJ015572 3,9-Dihydroxy-1(10),11-spirovetivadien-2-one C15H22O3 250.156894 NA MeJP NA NA +MJ015573 3-(4-Hydroxyphenyl)propanoic acid; 4-Methylpentyl ester C15H22O3 250.156894 NA MeJP NA NA +MJ015574 3-Hydroxy-1(10),4-cadinadien-15-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015575 3-Hydroxy-1(10),4-germacradien-12,6-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015576 3-Hydroxy-1(10)-germacren-12,6-olide, 3-Ketone C15H22O3 250.156894 NA MeJP NA NA +MJ015577 3-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015578 3-Hydroxy-4,11(13)-eudesmadien-12,8-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015579 3-Hydroxy-4,11(13)-eudesmadien-12,8-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015580 3-Hydroxy-4,11(13)-eudesmadien-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015581 3-Hydroxy-4,11(13)-guaiadien-12,8-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015582 3-Hydroxy-4-isopropylbenzyl alcohol; 3-Me ether, 7-O-(2-methylpropanoyl) C15H22O3 250.156894 NA MeJP NA NA +MJ015583 3-Hydroxy-5,11(13)-eudesmadien-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015584 3-Hydroxy-7(11)-eremophilen-12,8-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015585 3-Hydroxy-7-drimen-12,11-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015586 3-Hydroxy-9,11(13)-eremophiladien-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015587 3-Hydroxy-9,11-eremophiladien-8-one, 11S,12-Epoxide C15H22O3 250.156894 NA MeJP NA NA +MJ015588 3-Longipinene-12,15-diol; 12-Carboxylic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015589 3-Oxo-1(10)-germacren-12,8-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015590 3-Oxo-12,6-eudesmanolide C15H22O3 250.156894 NA MeJP NA NA +MJ015591 3-Oxo-4,11(13)-guaiadien-12-oic acid, 11,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015592 3-Scirpenol; 3?-form C15H22O3 250.156894 NA MeJP NA NA +MJ015593 4(15),10(14),11-Germacratriene-1,5,9-triol, 1-Ketone C15H22O3 250.156894 NA MeJP NA NA +MJ015594 4(15),11(13)-Eudesmadien-12-oic acid; 4?,15-Epoxide C15H22O3 250.156894 NA MeJP NA NA +MJ015595 4(15),11(13)-Eudesmadiene-7,12-diol; 7?-form, 12-Carboxylic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015596 4,10(14)-Oplopadiene-3,8,9-triol, 3-Ketone C15H22O3 250.156894 NA MeJP NA NA +MJ015597 4,11(13)-Cadinadiene-12,15-diol, 15-Carboxylic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015598 4,11(13)-Eudesmadien-12-oic acid; 4?,5?-Epoxide C15H22O3 250.156894 NA MeJP NA NA +MJ015599 4,11(13)-Eudesmadien-12-oic acid; 4?,5?-Epoxide C15H22O3 250.156894 NA MeJP NA NA +MJ015600 4,5-Dihydroxy-7(11),9-guaiadien-8-one C15H22O3 250.156894 NA MeJP NA NA +MJ015601 4,5-Dioxo-4,5-seco-8-daucen-14-al C15H22O3 250.156894 NA MeJP NA NA +MJ015602 4,5-Epoxy-1(10),11(13)-germacradien-12,6-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015603 4,5-Epoxy-1(10),11(13)-germacradien-12,8-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015604 4-Hydroxy-1(10),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015605 4-Hydroxy-1(5),11(13)-xanthadien-12-oic acid, 4-Ketone C15H22O3 250.156894 NA MeJP NA NA +MJ015606 4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015607 4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015608 4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015609 4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, 10?,14-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015610 4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015611 4-Hydroxy-11(13)-amorphen-12,5-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015612 4-Hydroxy-11(13)-eudesmen-12,6-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015613 4-Hydroxy-11(13)-pseudoguaien-12,8-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015614 4-Hydroxy-2,11(13)-eudesmadien-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015615 4-Hydroxy-9-guaien-12,6-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015616 4-Hydroxy-9-guaien-12,8-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015617 4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 2,3,11?,13-Tetrahydro C15H22O3 250.156894 NA MeJP NA NA +MJ015618 4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 2,3,11?,13-Tetrahydro C15H22O3 250.156894 NA MeJP NA NA +MJ015619 4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 4-Alcohol, 2,3-dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015620 4-Scirpenol C15H22O3 250.156894 NA MeJP NA NA +MJ015621 5,10-Epoxy-1,3,5,8-bisabolatetraene-2,11-diol; 8,9-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015622 5,11-Epoxy-1,3,5-bisabolatriene-2,10-diol C15H22O3 250.156894 NA MeJP NA NA +MJ015623 5,13-Dihydroxy-6-protoilluden-8-one; 5?-form C15H22O3 250.156894 NA MeJP NA NA +MJ015624 5,14-Epoxy-5,7(14)-lactaradiene-2,8-diol C15H22O3 250.156894 NA MeJP NA NA +MJ015625 5,14-Epoxy-5,7(14)-lactaradiene-3,8-diol C15H22O3 250.156894 NA MeJP NA NA +MJ015626 5,14-Epoxy-5,7(14)-lactaradiene-4,8-diol C15H22O3 250.156894 NA MeJP NA NA +MJ015627 5,14:7,8-Diepoxy-5-marasmanol C15H22O3 250.156894 NA MeJP NA NA +MJ015628 5,6-Dihydroxy-7-protoilluden-14-al, 5-Ketone, 14-alcohol C15H22O3 250.156894 NA MeJP NA NA +MJ015629 5,8-Epoxy-7(11),9-guaiadien-8-ol, 11?,12-Epoxide C15H22O3 250.156894 NA MeJP NA NA +MJ015630 5-(1,4-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid, 1'-Deoxy C15H22O3 250.156894 NA MeJP NA NA +MJ015631 5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015632 5-(3-Hydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015633 5-Hydroxy-3,11(13)-eudesmadien-12-oic acid; 5?-form C15H22O3 250.156894 NA MeJP NA NA +MJ015634 5-Hydroxy-3-cedren-15-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015635 5-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015636 5-Hydroxy-6-silphiperfolen-13-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015637 5-Oxo-1(10)-germacren-12,8-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015638 5-Oxo-3-amorphen-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015639 6,10-Epoxy-6-hydroxy-7-guaien-9-one C15H22O3 250.156894 NA MeJP NA NA +MJ015640 6,7-Epoxy-4(15)-hirsutene-1,5-diol C15H22O3 250.156894 NA MeJP NA NA +MJ015641 6-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015642 6-Hydroxy-14-sesquilimonenoic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015643 6-Hydroxy-2-sterpuren-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015644 6-Hydroxy-3(15),7(14)-caryophylladien-8-one, 12-Hydroxy C15H22O3 250.156894 NA MeJP NA NA +MJ015645 6-Hydroxy-3(15),7(14)-caryophylladien-8-one; 6?-form, 12-Hydroxy C15H22O3 250.156894 NA MeJP NA NA +MJ015646 6-Hydroxy-4(15)-eudesmen-12,8-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015647 6-Hydroxy-7(11)-eremophilen-12,8-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015648 6-Hydroxy-7-drimen-12,11-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015649 6-Hydroxy-8-drimen-11,12-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015650 7,10-Epoxy-2,6,10-trimethyl-1,11-dodecadiene-3,5-dione C15H22O3 250.156894 NA MeJP NA NA +MJ015651 7,12-Dihydroxy-4-amorphen-3-one; 12-Deoxy, 8-oxo C15H22O3 250.156894 NA MeJP NA NA +MJ015652 7-Drimene-11,12-diol, 11-Carboxylic acid, 12-aldehyde C15H22O3 250.156894 NA MeJP NA NA +MJ015653 7-Hydroxy-11,12-drimanolide, 7-Ketone C15H22O3 250.156894 NA MeJP NA NA +MJ015654 7-Hydroxy-4,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015655 7-Hydroxy-4-acorene-3,8-dione C15H22O3 250.156894 NA MeJP NA NA +MJ015656 7-Hydroxy-8-drimen-11,12-olide; 7?-form C15H22O3 250.156894 NA MeJP NA NA +MJ015657 7-Hydroxy-8-drimen-12,11-olide; 7?-form C15H22O3 250.156894 NA MeJP NA NA +MJ015658 8,10-Dihydroxy-3-longipinen-5-one C15H22O3 250.156894 NA MeJP NA NA +MJ015659 8,14-Dihydroxy-6-protoilluden-5-one C15H22O3 250.156894 NA MeJP NA NA +MJ015660 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015661 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015662 8-Hydroxy-1,3-elemadien-12,6-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015663 8-Hydroxy-10(14)-guaien-12,6-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015664 8-Hydroxy-2,6,10-farnesatrien-1,15-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015665 8-Hydroxy-3,9-germacradien-12,6-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015666 8-Hydroxy-4(6)-lactaren-5,14-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015667 8-Hydroxy-4(6)-lactarene-5,14-diol, 5,14-Dialdehyde C15H22O3 250.156894 NA MeJP NA NA +MJ015668 8-Hydroxy-4,11(13)-eudesmadien-12-oic acid; 8?-form C15H22O3 250.156894 NA MeJP NA NA +MJ015669 8-Oxo-2-humulen-15,1-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015670 9,15-Dihydroxy-4,10(14)-cadinadien-3-one C15H22O3 250.156894 NA MeJP NA NA +MJ015671 9-(3-Furanyl)-2,6-dimethyl-2,6-nonadien-5-ol, 6?,7?-Epoxide C15H22O3 250.156894 NA MeJP NA NA +MJ015672 9-(4-Hydroxyphenyl)nonanoic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015673 9-Hydroxy-1,3-elemadien-12,6-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015674 9-Hydroxy-3(15),6-caryophylladien-14-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015675 9-Hydroxy-3-eudesmen-12,6-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015676 9-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015677 9-Hydroxy-4,10(14)-germacradien-12,6-olide C15H22O3 250.156894 NA MeJP NA NA +MJ015678 9-Hydroxy-4,11(13)-eudesmadien-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015679 9-Hydroxy-4,11-eudesmadien-15-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015680 9-Hydroxy-7-drimen-12,11-olide; 9?-form C15H22O3 250.156894 NA MeJP NA NA +MJ015681 9-Hydroxy-7-drimene-11,12-dial; 9?-form C15H22O3 250.156894 NA MeJP NA NA +MJ015682 9-Oxo-11(13)-eremophilen-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015683 9-Oxo-2,7-bisaboladien-15-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015684 9-Oxo-2-bisabolen-15-oic acid, 10,11-Didehydro C15H22O3 250.156894 NA MeJP NA NA +MJ015685 9-Oxo-?-santalan-12-oic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015686 Abscisic alcohol C15H22O3 250.156894 NA MeJP NA NA +MJ015687 Achillea millefolium Lactone C15H22O3 250.156894 NA MeJP NA NA +MJ015688 Alliacolide; Deoxy C15H22O3 250.156894 NA MeJP NA NA +MJ015689 Alpinolide C15H22O3 250.156894 NA MeJP NA NA +MJ015690 Anguillosporal C15H22O3 250.156894 NA MeJP NA NA +MJ015691 Antibiotic AM 6898B C15H22O3 250.156894 NA MeJP NA NA +MJ015692 Antibiotic AM 6898D C15H22O3 250.156894 NA MeJP NA NA +MJ015693 Apotrichothecene; 3-Oxo C15H22O3 250.156894 NA MeJP NA NA +MJ015694 Arteannuin H C15H22O3 250.156894 NA MeJP NA NA +MJ015695 Arteannuin L C15H22O3 250.156894 NA MeJP NA NA +MJ015696 Artedouglasiaoxide C15H22O3 250.156894 NA MeJP NA NA +MJ015697 Artedouglasiolide C15H22O3 250.156894 NA MeJP NA NA +MJ015698 Asteriscanolide C15H22O3 250.156894 NA MeJP NA NA +MJ015699 Bedfordiolide C15H22O3 250.156894 NA MeJP NA NA +MJ015700 Blennin C C15H22O3 250.156894 NA MeJP NA NA +MJ015701 Botrydienal; 11-Hydroxy, 2,3-didehydro, 10,15-bisalcohol C15H22O3 250.156894 NA MeJP NA NA +MJ015702 Botrydienal; 12-Hydroxy, 2,3-didehydro, 10,15-bisalcohol C15H22O3 250.156894 NA MeJP NA NA +MJ015703 Brassicadiol C15H22O3 250.156894 NA MeJP NA NA +MJ015704 Candicansol C15H22O3 250.156894 NA MeJP NA NA +MJ015705 Carabrone; 4?-Alcohol C15H22O3 250.156894 NA MeJP NA NA +MJ015706 Carney's ketol; 10,11-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015707 Clitocybulol A C15H22O3 250.156894 NA MeJP NA NA +MJ015708 Coprinolone C15H22O3 250.156894 NA MeJP NA NA +MJ015709 Cuprenolide; 14-Hydroxy C15H22O3 250.156894 NA MeJP NA NA +MJ015710 Cybrodol C15H22O3 250.156894 NA MeJP NA NA +MJ015711 Dacriniol C15H22O3 250.156894 NA MeJP NA NA +MJ015712 Deodardione C15H22O3 250.156894 NA MeJP NA NA +MJ015713 Fukinanolide; 9?-Hydroxy C15H22O3 250.156894 NA MeJP NA NA +MJ015714 Furanoeremophilane-3,6-diol C15H22O3 250.156894 NA MeJP NA NA +MJ015715 Furanoeremophilane-6,10-diol C15H22O3 250.156894 NA MeJP NA NA +MJ015716 Furanoeudesmane-3,4-diol C15H22O3 250.156894 NA MeJP NA NA +MJ015717 Hanalpinol; Ketone C15H22O3 250.156894 NA MeJP NA NA +MJ015718 Hebelophyllene H C15H22O3 250.156894 NA MeJP NA NA +MJ015719 Illudalenol C15H22O3 250.156894 NA MeJP NA NA +MJ015720 Kanshone D; 2-Deoxy C15H22O3 250.156894 NA MeJP NA NA +MJ015721 Lactaronecatorin A C15H22O3 250.156894 NA MeJP NA NA +MJ015722 Lemnacarnol; 2-Ketone C15H22O3 250.156894 NA MeJP NA NA +MJ015723 Lychnosalicifolide C15H22O3 250.156894 NA MeJP NA NA +MJ015724 Macrophyllic acid A; 4?,5?-Epoxide C15H22O3 250.156894 NA MeJP NA NA +MJ015725 Macrophyllic acid A; 4?,5?-Epoxide C15H22O3 250.156894 NA MeJP NA NA +MJ015726 Macrophyllic acid B C15H22O3 250.156894 NA MeJP NA NA +MJ015727 Marasmene; 13-Hydroxy C15H22O3 250.156894 NA MeJP NA NA +MJ015728 Marasmene; 14-Hydroxy C15H22O3 250.156894 NA MeJP NA NA +MJ015729 Marasmene; 3?-Hydroxy C15H22O3 250.156894 NA MeJP NA NA +MJ015730 Merulialol C15H22O3 250.156894 NA MeJP NA NA +MJ015731 Millefolide C15H22O3 250.156894 NA MeJP NA NA +MJ015732 Mirabolide; 1-Hydroxy C15H22O3 250.156894 NA MeJP NA NA +MJ015733 Myoporone C15H22O3 250.156894 NA MeJP NA NA +MJ015734 Nardofuran C15H22O3 250.156894 NA MeJP NA NA +MJ015735 Nardosinone C15H22O3 250.156894 NA MeJP NA NA +MJ015736 Ngaione C15H22O3 250.156894 NA MeJP NA NA +MJ015737 Nootkatin; 3',4'-Dihydro, 4'-hydroxy C15H22O3 250.156894 NA MeJP NA NA +MJ015738 Pallescensin 3; 4',5'-Dihydro C15H22O3 250.156894 NA MeJP NA NA +MJ015739 Parvinolide; 6,7-Epoxide C15H22O3 250.156894 NA MeJP NA NA +MJ015740 Pentalenic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015741 Perillup ketol C15H22O3 250.156894 NA MeJP NA NA +MJ015742 Plagiochiline K C15H22O3 250.156894 NA MeJP NA NA +MJ015743 Polygonal; 7-Ketone, Me ester C15H22O3 250.156894 NA MeJP NA NA +MJ015744 Ptychanolide C15H22O3 250.156894 NA MeJP NA NA +MJ015745 Ricciofuranol C15H22O3 250.156894 NA MeJP NA NA +MJ015746 Sambucinic acid C15H22O3 250.156894 NA MeJP NA NA +MJ015747 Sambucoin C15H22O3 250.156894 NA MeJP NA NA +MJ015748 Toxin FS1 C15H22O3 250.156894 NA MeJP NA NA +MJ015749 Toxin FS2; 10-Ketone C15H22O3 250.156894 NA MeJP NA NA +MJ015750 Trisporone C15H22O3 250.156894 NA MeJP NA NA +MJ015751 Vernopolyanthofuran C15H22O3 250.156894 NA MeJP NA NA +MJ015752 Xanthoxin C15H22O3 250.156894 NA MeJP NA NA +MJ015753 Yingzhaosu C C15H22O3 250.156894 NA MeJP NA NA +C09295 Arbusculin A C15H22O3 250.1569 NA KEGG NA NA +C09689 Ipomoeamarone C15H22O3 250.1569 NA KEGG NA NA +C09711 Piperdial C15H22O3 250.1569 NA KEGG NA NA +C09748 Warburganal C15H22O3 250.1569 NA KEGG NA NA +C13453 Xanthoxin C15H22O3 250.1569 NA KEGG NA NA +C13456 Abscisic alcohol C15H22O3 250.1569 NA KEGG NA NA +C13457 Transferred to D01960 C15H22O3 250.1569 NA KEGG NA NA +C13459 Transferred to D01961 C15H22O3 250.1569 NA KEGG NA NA +C13460 Transferred to D01962 C15H22O3 250.1569 NA KEGG NA NA +C13461 Transferred to D01963 C15H22O3 250.1569 NA KEGG NA NA +C13462 Transferred to D01964 C15H22O3 250.1569 NA KEGG NA NA +C13463 Transferred to D01965 C15H22O3 250.1569 NA KEGG NA NA +C13464 Transferred to D01966 C15H22O3 250.1569 NA KEGG NA NA +C13465 Transferred to D01967 C15H22O3 250.1569 NA KEGG NA NA +C13466 Transferred to D01968 C15H22O3 250.1569 NA KEGG NA NA +C13467 Transferred to D01969 C15H22O3 250.1569 NA KEGG NA NA +C13468 Transferred to D01970 C15H22O3 250.1569 NA KEGG NA NA +C13469 Transferred to D01971 C15H22O3 250.1569 NA KEGG NA NA +C13470 Transferred to D01972 C15H22O3 250.1569 NA KEGG NA NA +C13471 Transferred to D01973 C15H22O3 250.1569 NA KEGG NA NA +C13472 Transferred to D01974 C15H22O3 250.1569 NA KEGG NA NA +C13473 Transferred to D01975 C15H22O3 250.1569 NA KEGG NA NA +C13474 Transferred to D01976 C15H22O3 250.1569 NA KEGG NA NA +C13475 Transferred to D01977 C15H22O3 250.1569 NA KEGG NA NA +C13476 Transferred to D01978 C15H22O3 250.1569 NA KEGG NA NA +C13477 Transferred to D01979 C15H22O3 250.1569 NA KEGG NA NA +C14716 2-Ethylhexyl-4-hydroxybenzoate C15H22O3 250.1569 NA KEGG NA NA +C05318 cis-N-Methyl-(S)-7,8,13,14-tetrahydroprotoberberine C18H20N 250.1596 NA KEGG NA NA +C05319 [Cytochrome c] S-methylmethionine C7H13N2O2SR2 250.1596 NA KEGG NA NA +C05320 Histone N(omega)-methyl-L-arginine C8H15N5O2R2 250.1596 NA KEGG NA NA +C05321 [Myeline basic protein] N(omega)-methyl-L-arginine C8H15N5O2R2 250.1596 NA KEGG NA NA +C11766 Rivastigmine C14H22N2O2 250.1681 NA KEGG NA NA +C16560 3-Hydroxylidocaine C14H22N2O2 250.1681 NA KEGG NA NA +MJ015754 Camoensidine; 12S-Hydroxy C14H22N2O2 250.168127 NA MeJP NA NA +MJ015755 Camoensidine; 15-N-Oxide C14H22N2O2 250.168127 NA MeJP NA NA +MJ015756 Naepaine C14H22N2O2 250.168127 NA MeJP NA NA +MJ015757 Propetamide C14H22N2O2 250.168127 NA MeJP NA NA +MJ015758 Rivastigmine C14H22N2O2 250.168127 NA MeJP NA NA +MJ015759 Trifosmin C12H27O3P 250.169781 NA MeJP NA NA +MJ015760 3-Nonadecene-1,8,10,18-tetrayne C19H22 250.17215 NA MeJP NA NA +MJ015761 11-(2-Cyclopentenyl)undecanoic acid, 4,5-Didehydro C16H26O2 250.19328 NA MeJP NA NA +MJ015762 11-(2-Cyclopentenyl)undecanoic acid, 6,7-Didehydro C16H26O2 250.19328 NA MeJP NA NA +MJ015763 11-(2-Cyclopentenyl)undecanoic acid, 9,10-Didehydro C16H26O2 250.19328 NA MeJP NA NA +MJ015764 11-Hydroxy-4-guaien-3-one, Me ether C16H26O2 250.19328 NA MeJP NA NA +MJ015765 13,14,15,16-Tetranor-12,8-labdanolide C16H26O2 250.19328 NA MeJP NA NA +MJ015766 13,14,15,16-Tetranor-5-halimen-17-ol, 17-Carboxylic acid C16H26O2 250.19328 NA MeJP NA NA +MJ015767 13,14,15,16-Tetranor-8(17)-labden-12-oic acid C16H26O2 250.19328 NA MeJP NA NA +MJ015768 14(4?5),15(10?9)-Bisabeo-3-drimene-11-carboxylic acid C16H26O2 250.19328 NA MeJP NA NA +MJ015769 3,8,11-Tetradecatrien-1-ol, Ac C16H26O2 250.19328 NA MeJP NA NA +MJ015770 3-Methyl-6-(1-methylethenyl)-3,9-decadien-1-ol, Ac C16H26O2 250.19328 NA MeJP NA NA +MJ015771 5-(3,11-Dodecadienyl)dihydro-2(3H)-furanone C16H26O2 250.19328 NA MeJP NA NA +MJ015772 6,10,14-Hexadecatrienoic acid C16H26O2 250.19328 NA MeJP NA NA +MJ015773 6-Isopropenyl-3-methyl-9-decen-1-ol, 3,4-Didehydro, Ac C16H26O2 250.19328 NA MeJP NA NA +MJ015774 7,10,13-Hexadecatrienoic acid C16H26O2 250.19328 NA MeJP NA NA +MJ015775 8,11,14-Hexadecatrienoic acid C16H26O2 250.19328 NA MeJP NA NA +MJ015776 9,11,13-Tetradecatrien-1-ol, Ac C16H26O2 250.19328 NA MeJP NA NA +MJ015777 Senecrassidiol; 6-Deoxy, 5-oxo, 3-Me ether C16H26O2 250.19328 NA MeJP NA NA +MJ015778 Sollasin A C16H26O2 250.19328 NA MeJP NA NA +C16503 Methyl farnesoate C16H26O2 250.1933 NA KEGG NA NA +C10771 Leontiformine C15H26N2O 250.2045 NA KEGG NA NA +C10780 Retamine C15H26N2O 250.2045 NA KEGG NA NA +MJ015779 14-Hydroxysparteine; 14?-form C15H26N2O 250.204513 NA MeJP NA NA +MJ015780 4-Hydroxysparteine; 4?-form C15H26N2O 250.204513 NA MeJP NA NA +MJ015781 7-Hydroxysparteine C15H26N2O 250.204513 NA MeJP NA NA +MJ015782 Lamprolobine, Deoxo, 6-epimer C15H26N2O 250.204513 NA MeJP NA NA +MJ015783 Leontiformine C15H26N2O 250.204513 NA MeJP NA NA +MJ015784 Retamine C15H26N2O 250.204513 NA MeJP NA NA +MJ015785 Sparteine, N16-Oxide C15H26N2O 250.204513 NA MeJP NA NA +MJ015786 Thermopsamine C15H26N2O 250.204513 NA MeJP NA NA +MJ015787 3,4,7,11-Tetramethyl-6,10-tridecadienal C17H30O 250.229665 NA MeJP NA NA +MJ015788 3,6,9-Heptadecatriene, 6R*,7S*-Epoxide C17H30O 250.229665 NA MeJP NA NA +MJ015789 4,6,10,12-Tetramethyl-2,4-tridecadien-7-one C17H30O 250.229665 NA MeJP NA NA +MJ015790 8,11,14-Heptadecatrienal, 14,15-Dihydro C17H30O 250.229665 NA MeJP NA NA +MJ015791 9-Cycloheptadecen-1-one C17H30O 250.229665 NA MeJP NA NA +C15464 (+)-12-(2-Cyclopenten-1-yl)-2-dodecanone C17H30O 250.2297 NA KEGG NA NA +EUR502 13-HPODE F4 F4 250.232125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR502 13-HPODE F4 NA 250.232125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR502 13-HPODE F4 F4 250.232125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR502 13-HPODE F4 NA 250.232125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR502 13-HPODE F4 F4 250.232125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR502 13-HPODE F4 NA 250.232125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR502 13-HPODE F4 F4 250.232125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR502 13-HPODE F4 F4 250.232125 standards wishlist analysés sur QTOF HMDB NA NA +EUR502 13-HPODE F4 F4 250.232125 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR502 13-HPODE F4 NA 250.232125 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR502 13-HPODE F4 F4 250.232125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR502 13-HPODE F4 F4 250.232125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ015792 Phlegmarine C16H30N2 250.240898 NA MeJP NA NA +C09892 Phlegmarine C16H30N2 250.2409 NA KEGG NA NA +MJ015793 Iron(III) hypophosphite FeH6O6P3 250.872664 NA MeJP NA NA +MJ015794 Ferric fructose C6H10FeO7(-) 250.985419 NA MeJP NA NA +C11686 Uracil mustard C8H11Cl2N3O2 251.0228 NA KEGG NA NA +MJ015795 Uramustine C8H11Cl2N3O2 251.022832 NA MeJP NA NA +MJ015796 Metronidazole; Phosphate (ester) C6H10N3O6P 251.030721 NA MeJP NA NA +MJ015797 Furoclausine A C15H9NO3 251.058243 NA MeJP NA NA +CJpos0634 Succinyladenosine [(M+H)-(C5H8O4)]+ C9H10N5O4 251.064875 C18rt(min)=4.7 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0634 Succinyladenosine [(M+H)-(C5H8O4)]+ C9H10N5O4 251.064875 C18rt(min)=4.7 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ015798 6-(1,2-Dicarboxyethylamino)purine C9H9N5O4 251.065453 NA MeJP NA NA +MJ015799 Flunidazole C11H10FN3O3 251.070619 NA MeJP NA NA +MJ015800 Pirprofen C13H14ClNO2 251.071306 NA MeJP NA NA +MJ015801 Aspartic acid, N-Phenylacetyl C12H13NO5 251.079372 NA MeJP NA NA +MJ015802 Phenylalanine, N-Carboxyacetyl C12H13NO5 251.079372 NA MeJP NA NA +MJ015803 Serine, N-(4-Hydroxycinnamoyl) C12H13NO5 251.079372 NA MeJP NA NA +MetaCyc02274 N-feruloylglycine [] C12H13N1O5 251.079373 NA metacyc NA NA +C02564 N-Feruloylglycine C12H13NO5 251.0794 NA KEGG NA NA +MJ015804 Corallistine C10H13N5OS 251.08408 NA MeJP NA NA +MJ015805 Cycloguanil C11H14ClN5 251.093773 NA MeJP NA NA +MJ015806 2,3-Dihydroxy-4-phenylquinoline; Me ether C16H13NO2 251.094628 NA MeJP NA NA +MJ015807 2,4-Dihydroxy-3-phenylquinoline; NH-form, N-Me C16H13NO2 251.094628 NA MeJP NA NA +MJ015808 2-(4-Hydroxyphenyl)-1-methyl-4(1H)-quinolinone C16H13NO2 251.094628 NA MeJP NA NA +MJ015809 4,5-Dihydroxy-2-phenylquinoline; NH-form, N-Me C16H13NO2 251.094628 NA MeJP NA NA +MJ015810 Vasconine; O8-De-Me C16H14NO2(+) 251.094628 NA MeJP NA NA +HMDB03254 Muramic acid C9H17NO7 251.10049 http://www.hmdb.ca/metabolites/HMDB03254 HMDB NA NA +HMDB03254 Muramic acid C9H17NO7 251.10049 HMDB03254 PFEM_hmdb_metabocards_official NA NA +HMDB03254 Muramic acid C9H17NO7 251.100494 NA HMDB2010 NA NA +C06470 Muramic acid C9H17NO7 251.1005 NA KEGG NA NA +MJ015811 3-Amino-3,6-dideoxyglucose, N-(2S,3-Dihydroxypropanoyl) C9H17NO7 251.100501 NA MeJP NA NA +MJ015812 Fructose amino acids; Fructosealanine-form C9H17NO7 251.100501 NA MeJP NA NA +MJ015813 Muramic acid C9H17NO7 251.100501 NA MeJP NA NA +C00559 Deoxyadenosine C10H13N5O3 251.1018 NA KEGG NA NA +C00560 Gelatin type I C10H13N5O3 251.1018 NA KEGG NA NA +C05198 5'-Deoxyadenosine C10H13N5O3 251.1018 NA KEGG NA NA +C05199 Flavodoxin semiquinone C10H13N5O3 251.1018 NA KEGG NA NA +C08431 Cordycepin C10H13N5O3 251.1018 NA KEGG NA NA +HMDB00101 Deoxyadenosine C10H13N5O3 251.101837 NA HMDB2010 NA NA +HMDB01983 5'-Deoxyadenosine C10H13N5O3 251.101837 NA HMDB2010 NA NA +MJ015814 Deoxyadenosine C10H13N5O3 251.101839 NA MeJP NA NA +MJ015815 2'-Deoxyadenosine C10H13N5O3 251.101839 NA MeJP NA NA +MJ015816 2-Amino-1,9-dihydro-9-[2-hydroxy-3-(hydroxymethyl)cyclobutyl]-6H-purin-6-one C10H13N5O3 251.101839 NA MeJP NA NA +MJ015817 6-(1-Hydroxypropyl)-8-methylisoxanthopterin C10H13N5O3 251.101839 NA MeJP NA NA +MJ015818 Biopterin, 3-Me C10H13N5O3 251.101839 NA MeJP NA NA +MJ015819 Cordycepin C10H13N5O3 251.101839 NA MeJP NA NA +MJ015820 Oxetanocin C10H13N5O3 251.101839 NA MeJP NA NA +MetaCyc02275 deoxyadenosine [2'-deoxyadenosine;] C10H13N5O3 251.101839 958-09-8 metacyc NA NA +MetaCyc02276 5'-deoxyadenosine [5'-deoxyadenosine;CH3Ado;] C10H13N5O3 251.101839 NA metacyc NA NA +HMDB00101 Deoxyadenosine C10H13N5O3 251.10184 http://www.hmdb.ca/metabolites/HMDB00101 PFEM_hmdb_metabocards_urine NA urine +HMDB01983 5'-Deoxyadenosine C10H13N5O3 251.10184 http://www.hmdb.ca/metabolites/HMDB01983 PFEM_hmdb_metabocards_urine NA urine +HMDB00101 Deoxyadenosine C10H13N5O3 251.10184 http://www.hmdb.ca/metabolites/HMDB00101 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01983 5'-Deoxyadenosine C10H13N5O3 251.10184 http://www.hmdb.ca/metabolites/HMDB01983 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00101 Deoxyadenosine C10H13N5O3 251.10184 http://www.hmdb.ca/metabolites/HMDB00101 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01983 5'-Deoxyadenosine C10H13N5O3 251.10184 http://www.hmdb.ca/metabolites/HMDB01983 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00101 Deoxyadenosine C10H13N5O3 251.10184 http://www.hmdb.ca/metabolites/HMDB00101 HMDB NA NA +HMDB01983 5'-Deoxyadenosine C10H13N5O3 251.10184 http://www.hmdb.ca/metabolites/HMDB01983 HMDB NA NA +HMDB00101 Deoxyadenosine C10H13N5O3 251.10184 HMDB00101 PFEM_hmdb_metabocards_official NA NA +HMDB01983 5'-Deoxyadenosine C10H13N5O3 251.10184 HMDB01983 PFEM_hmdb_metabocards_official NA NA +C02517 3-Oxohexobarbital C12H15N2O4 251.1032 NA KEGG NA NA +MJ015821 Eudistomin A; ?1'-Isomer, 3',4'-dihydro, debromo C15H13N3O 251.105862 NA MeJP NA NA +MJ015822 1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxy-2-methylisoquinoline; Me ether, N-de-Me, N-Formyl C13H17NO4 251.115758 NA MeJP NA NA +MJ015823 1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxyisoquinoline; N-Ac C13H17NO4 251.115758 NA MeJP NA NA +MJ015824 3,4-Dihydro-5,6,7-trimethoxy-2-methyl-1(2H)-isoquinolinone C13H17NO4 251.115758 NA MeJP NA NA +MJ015825 5,6,7,8-Tetramethoxyisoquinoline; 3,4-Dihydro C13H17NO4 251.115758 NA MeJP NA NA +MJ015826 Alibendol C13H17NO4 251.115758 NA MeJP NA NA +MJ015827 Anhalonidine, N-Formyl C13H17NO4 251.115758 NA MeJP NA NA +MJ015828 Anisomycin, O-De-Me C13H17NO4 251.115758 NA MeJP NA NA +MJ015829 N-(1-Carboxyethyl)phenylalanine, 1-Me ester C13H17NO4 251.115758 NA MeJP NA NA +MJ015830 Simplexine C13H17NO4 251.115758 NA MeJP NA NA +C01657 Ac-Tyr-OEt C13H17NO4 251.1158 NA KEGG NA NA +C01658 Acid amide CHNOR2 251.1158 NA KEGG NA NA +MJ015831 Picodralazine C14H13N5 251.117095 NA MeJP NA NA +CJpos0635 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)-(C6H10O7)]+ (13C) C1313CH19O4 251.123275 C18rt(min)=8.68 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0635 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)-(C6H10O7)]+ (13C) C1313CH19O4 251.123275 C18rt(min)=8.68 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +3298 NA HHPL 251.126 MH2+ Inhouse_peptide NA peptide +3299 NA LHPH 251.126 MH2+ Inhouse_peptide NA peptide +3303 NA HPLH 251.126 MH2+ Inhouse_peptide NA peptide +3306 NA HPHL 251.126 MH2+ Inhouse_peptide NA peptide +3308 NA HHLP 251.126 MH2+ Inhouse_peptide NA peptide +3313 NA PLHH 251.126 MH2+ Inhouse_peptide NA peptide +3315 NA HLHP 251.126 MH2+ Inhouse_peptide NA peptide +3316 NA HLPH 251.126 MH2+ Inhouse_peptide NA peptide +3318 NA LPHH 251.126 MH2+ Inhouse_peptide NA peptide +MJ015832 2-Nonene-6,8-diynoic acid, 2-Phenylethylamide C17H17NO 251.131014 NA MeJP NA NA +MJ015833 N-2-Phenylethylcinnamamide C17H17NO 251.131014 NA MeJP NA NA +MJ015834 2-[[(7-Fluoro-2,3-dihydro-1H-inden-4-yl)oxy]methyl]morpholine C14H18FNO2 251.132157 NA MeJP NA NA +MJ015835 Esproquine C14H21NOS 251.134384 NA MeJP NA NA +MJ015836 Dimethazan C11H17N5O2 251.138224 NA MeJP NA NA +MJ015837 Besipirdine C16H17N3 251.142247 NA MeJP NA NA +MJ015838 Midaglizole C16H17N3 251.142247 NA MeJP NA NA +MJ015839 1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxy-1,2-dimethylisoquinoline; Me ether C14H21NO3 251.152143 NA MeJP NA NA +MJ015840 Dihydrosecurinine; Natural-form, 12,13?-Dihydro, 4-methoxy C14H21NO3 251.152143 NA MeJP NA NA +MJ015841 Pivenfrine C14H21NO3 251.152143 NA MeJP NA NA +MJ015842 1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxy-1,2-dimethylisoquinoline; N-Me C14H22NO3(+) 251.152143 NA MeJP NA NA +MJ015843 Arglecin C12H21N5O 251.17461 NA MeJP NA NA +C17464 Nupharamine C15H25NO2 251.1885 NA KEGG NA NA +MJ015844 2,3-Dihydro-1-(2-methyl-3-oxodecanoyl)pyrrole C15H25NO2 251.188529 NA MeJP NA NA +MJ015845 Edronocaine C15H25NO2 251.188529 NA MeJP NA NA +MJ015846 Nupharamine C15H25NO2 251.188529 NA MeJP NA NA +MJ015847 Xibenolol C15H25NO2 251.188529 NA MeJP NA NA +MJ015848 2,4-Dodecadienoic acid, 2-Methylpropylamide C16H29NO 251.224914 NA MeJP NA NA +MJ015849 2,8-Dodecadienoic acid, 2-Methylpropylamide C16H29NO 251.224914 NA MeJP NA NA +MJ015850 5-(4-Heptenyl)indolizidine; 6'?-Hydroxy C16H29NO 251.224914 NA MeJP NA NA +MJ015851 Dendrobates Alkaloid 251D C16H29NO 251.224914 NA MeJP NA NA +MJ015852 Deoxypumiliotoxin 251H C16H29NO 251.224914 NA MeJP NA NA +MJ015853 2,5-Dialkylpyrrolidines; 2-Butyl-5-nonylpyrrolidine, 8'',9''-Didehydro C17H33N 251.2613 NA MeJP NA NA +MJ015854 2,5-Dialkylpyrrolidines; 2-Heptyl-5-(5-hexenyl)pyrrolidine C17H33N 251.2613 NA MeJP NA NA +MJ015855 2-Methyl-6-undecylpiperidine, 1,2-Didehydro C17H33N 251.2613 NA MeJP NA NA +MJ015856 6-Ethyl-8-(2-hydroxyethyl)-5-pentylindolizidine; Deoxy C17H33N 251.2613 NA MeJP NA NA +3291 bovine kappa-casein fr,113-116 NQDK 251.6109 MH2+ Inhouse_peptide NA peptide +6989 coeliac toxic peptide QPYP 251.6125 MH2+ Inhouse_peptide NA peptide +7896 peptide from human milk b-casein (170-173) PYPQ 251.6125 MH2+ Inhouse_peptide NA peptide +8020 synthetic peptide LWW 251.621 MH2+ Inhouse_peptide NA peptide +2705 erythromycin inhibitor MVVGV 251.6327 MH2+ Inhouse_peptide NA peptide +MJ015857 gamma-Pentachlorocyclohexene C6H5Cl5 251.883388 NA MeJP NA NA +MetaCyc02277 γ-pentachlorocyclohexene [γ-PCCH;γ-pentachlorocyclohexane;] C6H5CL5 251.883389 NA metacyc NA NA +C06596 gamma-Pentachlorocyclohexene C6H5Cl5 251.8834 NA KEGG NA NA +C16182 beta-2,3,5,6-Tetrachloro-1,4-cyclohexanediol C6H8Cl4O2 251.9278 NA KEGG NA NA +MJ015858 2-Iodo-1,3,5-benzenetriol C6H5IO3 251.928337 NA MeJP NA NA +MJ015859 2-(4'-Chlorophenyl)-3,3-dichloropropenoate C9H7Cl3O2 251.951162 NA MeJP NA NA +C11146 Methylmercury chloride CH3ClHg 251.963 NA KEGG NA NA +CJpos0636 Citric acid [(M-H)+Na+K]+ C6H7O7NaK 251.964275 C18rt(min)=1.09 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0636 Citric acid [(M-H)+Na+K]+ C6H7O7NaK 251.964275 C18rt(min)=1.09 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +C15239 8-Hydroxy-3,4-dichlorodibenzofuran C12H6Cl2O2 251.9745 NA KEGG NA NA +C15240 6-Hydroxy-3,4-dichlorodibenzofuran C12H6Cl2O2 251.9745 NA KEGG NA NA +C15243 3-Hydroxy-2,8-dichlorodibenzofuran C12H6Cl2O2 251.9745 NA KEGG NA NA +C15245 7-Hydroxy-3,4-dichlorodibenzofuran C12H6Cl2O2 251.9745 NA KEGG NA NA +C15246 9-Hydroxy-3,4-dichlorodibenzofuran C12H6Cl2O2 251.9745 NA KEGG NA NA +C15247 9-Hydroxy-2,6-dichlorodibenzofuran C12H6Cl2O2 251.9745 NA KEGG NA NA +C17102 Cartilagineal C10H11Cl3O 251.9875 NA KEGG NA NA +MJ015860 Cartilagineal C10H11Cl3O 251.987548 NA MeJP NA NA +MJ015861 6-Bromo-1H-indole-3-acetic acid; Amide C10H9BrN2O 251.989825 NA MeJP NA NA +MJ015862 Helitenuone C12H9ClO2S 252.001177 NA MeJP NA NA +MJ015863 Di-2-pyridinyl disulfide; N,N'-Dioxide C10H8N2O2S2 252.002718 NA MeJP NA NA +C06587 2-Hydroxy-6-oxo-6-(4'-chlorophenyl)-hexa-2,4-dienoate C12H9ClO4 252.0189 NA KEGG NA NA +MJ015864 2-Hydroxy-6-oxo-6-(4'-chlorophenyl)-hexa-2,4-dienoate C12H9ClO4 252.018936 NA MeJP NA NA +MJ015865 3,4,8-Trihydroxy-2-oxo-2H-1-benzopyran-5-carboxylic acid; 4-Me ether C11H8O7 252.027002 NA MeJP NA NA +MJ015866 Orelline; Di-N-oxide C10H8N2O6 252.038235 NA MeJP NA NA +MJ015867 1,2-Methylenedioxyanthraquinone C15H8O4 252.042258 NA MeJP NA NA +MJ015868 1-Hydroxyanthraquinone-2-carboxaldehyde C15H8O4 252.042258 NA MeJP NA NA +MJ015869 3-Hydroxyanthraquinone-2-carboxaldehyde C15H8O4 252.042258 NA MeJP NA NA +MJ015870 Acuminol A C15H8O4 252.042258 NA MeJP NA NA +C10374 Morindaparvin A C15H8O4 252.0423 NA KEGG NA NA +MJ015871 6,7-Dihydroxy-5-methyl-4-(methylthio)-2H-1-benzopyran-2-one; 6-Me ether C12H12O4S 252.045629 NA MeJP NA NA +MJ015872 11-Hydroxycanthin-6-one; N-Oxide C14H8N2O3 252.053492 NA MeJP NA NA +MJ015873 9-Hydroxycanthin-6-one; N3-Oxide C14H8N2O3 252.053492 NA MeJP NA NA +MJ015874 4-Hydroxy-4-(4-methoxyphenyl)-1-methyl-5-thioxo-2-imidazolidinone C11H12N2O3S 252.056862 NA MeJP NA NA +MJ015875 N-Hydroxy-5,6-dimethoxybenzo[b]thiophene-2-carboximidamide C11H12N2O3S 252.056862 NA MeJP NA NA +C17242 S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine C8H16N2O3S2 252.0602 NA KEGG NA NA +PJ000101 CM C8H16N2O3S2 252.0602 NA PeJP NA NA +MJ015876 2,3-Dihydroxypropanoic acid, 2-O-(E-p-Hydroxycinnamoyl) C12H12O6 252.063388 NA MeJP NA NA +MJ015877 2,3-Dihydroxypropanoic acid, 2-O-(Z-p-Hydroxycinnamoyl) C12H12O6 252.063388 NA MeJP NA NA +MJ015878 2,4,6-Triacetyl-1,3,5-benzenetriol C12H12O6 252.063388 NA MeJP NA NA +MJ015879 5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 5,6,7-Tri-Me ether C12H12O6 252.063388 NA MeJP NA NA +MJ015880 6,7,8-Trihydroxy-3-hydroxymethyl-1H-2-benzopyran-1-one; 6,7-Di-Me ether C12H12O6 252.063388 NA MeJP NA NA +MJ015881 Apodophyllone C12H12O6 252.063388 NA MeJP NA NA +MJ015882 Cladobotrin III C12H12O6 252.063388 NA MeJP NA NA +MJ015883 5-Amino-3-(2-pentenyl)thiazolo[4,5-d]pyrimidine-2,7(3H,4H)-dione C10H12N4O2S 252.068096 NA MeJP NA NA +C05648 5-Hydroxy-N-formylkynurenine C11H12N2O5 252.0746 NA KEGG NA NA +HMDB04086 5-Hydroxy-N-formylkynurenine C11H12N2O5 252.074615 NA HMDB2010 NA NA +HMDB04086 5-Hydroxy-N-formylkynurenine C11H12N2O5 252.07462 http://www.hmdb.ca/metabolites/HMDB04086 HMDB NA NA +HMDB04086 5-Hydroxy-N-formylkynurenine C11H12N2O5 252.07462 HMDB04086 PFEM_hmdb_metabocards_official NA NA +MJ015884 5-Hydroxy-N-formylkynurenine C11H12N2O5 252.074621 NA MeJP NA NA +MJ015885 Lucartamide C12H16N2S2 252.075489 NA MeJP NA NA +C03074 4'-O-Methylisoflavone C16H12O3 252.0786 NA KEGG NA NA +C15111 1-[2-(4-Hydroxyphenyl)-1-benzofuran-3-yl]ethanone C16H12O3 252.0786 NA KEGG NA NA +C15616 7-Methoxyisoflavone C16H12O3 252.0786 NA KEGG NA NA +FL3F19NS0001 7-Methoxyflavone C16H12O3 252.07864 22395-22-8 knapsack NA NA +FL3F99NS0004 6-Methoxyflavone C16H12O3 252.07864 26964-24-9 knapsack NA NA +FLIA19NM0001 7-Hydroxy-2-methylisoflavone C16H12O3 252.07864 2859-88-3 knapsack NA NA +MJ015886 1-Hydroxy-2,3-dimethylanthraquinone C16H12O3 252.078644 NA MeJP NA NA +MJ015887 1-Hydroxy-3-methylanthraquinone; Me ether C16H12O3 252.078644 NA MeJP NA NA +MJ015888 2'-Hydroxyflavone; Me ether C16H12O3 252.078644 NA MeJP NA NA +MJ015889 2,7-Dihydroxy-8-methyl-4-phenanthrenecarboxaldehyde C16H12O3 252.078644 NA MeJP NA NA +MJ015890 2-(4-Hydroxyphenyl)-3-methyl-5-benzofurancarboxaldehyde C16H12O3 252.078644 NA MeJP NA NA +MJ015891 2-(4-Methoxyphenyl)-1,3-indanedione C16H12O3 252.078644 NA MeJP NA NA +MJ015892 2-Hydroxy-3-methylanthraquinone; Me ether C16H12O3 252.078644 NA MeJP NA NA +MJ015893 3'-Hydroxyflavone; Me ether C16H12O3 252.078644 NA MeJP NA NA +MJ015894 3-Hydroxy-2,8-dimethyl-1,4-phenanthraquinone C16H12O3 252.078644 NA MeJP NA NA +MJ015895 4'-Hydroxyflavone; Me ether C16H12O3 252.078644 NA MeJP NA NA +MJ015896 6-Hydroxyflavone; Me ether C16H12O3 252.078644 NA MeJP NA NA +MJ015897 7-Hydroxy-2-methylisoflavone C16H12O3 252.078644 NA MeJP NA NA +MJ015898 7-Hydroxyflavone; Me ether C16H12O3 252.078644 NA MeJP NA NA +MJ015899 Nordracorhodin C16H12O3 252.078644 NA MeJP NA NA +MJ015900 4-O-(1-Carboxyethyl)mannose C9H16O8 252.084517 NA MeJP NA NA +HMDB00071 Deoxyinosine C10H12N4O4 252.08585 http://www.hmdb.ca/metabolites/HMDB00071 PFEM_hmdb_metabocards_urine NA urine +HMDB00071 Deoxyinosine C10H12N4O4 252.08585 http://www.hmdb.ca/metabolites/HMDB00071 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00071 Deoxyinosine C10H12N4O4 252.08585 http://www.hmdb.ca/metabolites/HMDB00071 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00071 Deoxyinosine C10H12N4O4 252.08585 http://www.hmdb.ca/metabolites/HMDB00071 HMDB NA NA +HMDB00071 Deoxyinosine C10H12N4O4 252.08585 HMDB00071 PFEM_hmdb_metabocards_official NA NA +MJ015901 2'-Deoxyinosine C10H12N4O4 252.085854 NA MeJP NA NA +MJ015902 Cytosinine C10H12N4O4 252.085854 NA MeJP NA NA +MJ015903 Nebularine C10H12N4O4 252.085854 NA MeJP NA NA +MetaCyc02278 deoxyinosine [2-deoxyinosine;] C10H12N4O4 252.085855 890-38-0 metacyc NA NA +HMDB00071 Deoxyinosine C10H12N4O4 252.085861 NA HMDB2010 NA NA +C01736 Nebularine C10H12N4O4 252.0859 NA KEGG NA NA +C05512 Deoxyinosine C10H12N4O4 252.0859 NA KEGG NA NA +C15586 N-D-Ribosylpurine C10H12N4O4 252.0859 NA KEGG NA NA +MJ015904 4-(3-Phosphonopropyl)-2-piperazinecarboxylic acid C8H17N2O5P 252.087508 NA MeJP NA NA +MJ015905 4-Phenyl-3,5-pyrazolidinedione, N1-Ph C15H12N2O2 252.089877 NA MeJP NA NA +MJ015906 5,11-Dihydro-10H-dibenz[b,f]azepin-10-one; N-Carbamoyl C15H12N2O2 252.089877 NA MeJP NA NA +MJ015907 5,5-Diphenyl-2,4-imidazolidinedione C15H12N2O2 252.089877 NA MeJP NA NA +MJ015908 Halfordinol; Me ether C15H12N2O2 252.089877 NA MeJP NA NA +C07443 Phenytoin C15H12N2O2 252.0899 NA KEGG NA NA +C07492 Oxcarbazepine C15H12N2O2 252.0899 NA KEGG NA NA +C07496 Carbamazepine-10,11-epoxide C15H12N2O2 252.0899 NA KEGG NA NA +C16601 2-Hydroxycarbamazepine C15H12N2O2 252.0899 NA KEGG NA NA +C16602 3-Hydroxycarbamazepine C15H12N2O2 252.0899 NA KEGG NA NA +MJ015909 6-(2-Chloroethyl)-2-hydroxymethyl-5,7-dimethyl-1-indanone C14H17ClO2 252.091707 NA MeJP NA NA +MJ015910 Pterosin J C14H17ClO2 252.091707 NA MeJP NA NA +MJ015911 Pterosin N; 4-Deoxy, 4-chloro C14H17ClO2 252.091707 NA MeJP NA NA +C07535 Benzo[a]pyrene C20H12 252.0939 NA KEGG NA NA +C14320 Benzo[b]fluoranthene C20H12 252.0939 NA KEGG NA NA +C14321 Benzo[k]fluoranthene C20H12 252.0939 NA KEGG NA NA +C14435 Benzo[e]pyrene C20H12 252.0939 NA KEGG NA NA +MetaCyc02279 cycasin [] C8H16N2O7 252.095751 14901-08-7 metacyc NA NA +C01418 Cycasin C8H16N2O7 252.0958 NA KEGG NA NA +MJ015912 2,6-Diamino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]purine C9H12N6O3 252.097088 NA MeJP NA NA +MJ015913 Anatoxin a(s) C7H17N4O4P 252.098741 NA MeJP NA NA +MJ015914 1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione C13H16O5 252.099773 NA MeJP NA NA +MJ015915 1-Ethoxy-3,4-dihydro-8-hydroxy-6-methoxy-1H-2-benzopyran-7-carboxaldehyde C13H16O5 252.099773 NA MeJP NA NA +MJ015916 1-O-Coumaroylglycerol, 4'-Me ether C13H16O5 252.099773 NA MeJP NA NA +MJ015917 2,3-Dihydro-5,6,7-trihydroxy-2,8-dimethyl-4H-1-benzopyran-4-one; 6,7-Di-Me ether C13H16O5 252.099773 NA MeJP NA NA +MJ015918 2,4,6-Trihydroxy-3-methyl-5-(3-methyl-1-oxobutyl)benzaldehyde C13H16O5 252.099773 NA MeJP NA NA +MJ015919 2,4-Dihydroxy-6-(4-hydroxy-2-oxopentyl)-3-methylbenzaldehyde C13H16O5 252.099773 NA MeJP NA NA +MJ015920 2,5,7-Trihydroxy-2-isopropyl-4-chromanone; 7-Me ether C13H16O5 252.099773 NA MeJP NA NA +MJ015921 2-Formyl-3-(hydroxymethyl)-6-methoxy-5-methylbenzoic acid; Lactol-form, Et ether C13H16O5 252.099773 NA MeJP NA NA +MJ015922 2-O-Coumaroylglycerol, 4'-Me ether C13H16O5 252.099773 NA MeJP NA NA +MJ015923 3,4-Dihydro-3,6,8-trihydroxy-3,5,7-trimethyl-1H-2-benzopyran-1-one; 4-Methyl C13H16O5 252.099773 NA MeJP NA NA +MJ015924 3-(2,3,4,5-Tetrahydroxyphenyl)-2-propen-1-ol, Aldehyde, tetra-Me ether C13H16O5 252.099773 NA MeJP NA NA +MJ015925 3-(2,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether, Me ester C13H16O5 252.099773 NA MeJP NA NA +MJ015926 3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether, Me ester C13H16O5 252.099773 NA MeJP NA NA +MJ015927 3-Ethoxy-4-hydroxymethyl-7-methoxy-6-methyl-1(3H)-isobenzofuranone C13H16O5 252.099773 NA MeJP NA NA +MJ015928 4-Hydroxy-2-(2,4,5-trimethoxyphenyl)-2-butenal C13H16O5 252.099773 NA MeJP NA NA +MJ015929 6-Acetyl-3,4-dihydro-3,4,7-trihydroxy-2,2-dimethyl-2H-1-benzopyran C13H16O5 252.099773 NA MeJP NA NA +MJ015930 Antibiotic LL-D253? C13H16O5 252.099773 NA MeJP NA NA +MJ015931 Antibiotic WAP 4068A; Antibiotic WAP 4068A1 C13H16O5 252.099773 NA MeJP NA NA +MJ015932 Arthropsolide D C13H16O5 252.099773 NA MeJP NA NA +MJ015933 Coniferaldehyde, 4'-O-(2-Hydroxy-1-hydroxymethylethyl) C13H16O5 252.099773 NA MeJP NA NA +MJ015934 Goniodiol; 4?-Hydroxy, 3,4-dihydro C13H16O5 252.099773 NA MeJP NA NA +MJ015935 Goniodiol; 5?-Hydroxy, 3,4-dihydro, 1',2'-diepimer C13H16O5 252.099773 NA MeJP NA NA +MJ015936 Leiocarpin C C13H16O5 252.099773 NA MeJP NA NA +MJ015937 Nothoapiole C13H16O5 252.099773 NA MeJP NA NA +MJ015938 Phomalone; 2',3'-Didehydro C13H16O5 252.099773 NA MeJP NA NA +MJ015939 Pyrenochaetic acid A; 2',3'-Dihydro, 3'-hydroxy C13H16O5 252.099773 NA MeJP NA NA +MJ015940 Radicinol; 4-Epimer, 4-Me ether C13H16O5 252.099773 NA MeJP NA NA +3563 ACE inhibitor AY 252.1 ACE inhibitor Inhouse_peptide NA peptide +7589 ACE inhibitor YA 252.1 antioxidative Inhouse_peptide NA peptide +7685 ACE inhibitor from garlic SF 252.1 antioxidative Inhouse_peptide NA peptide +7866 peptide from Okara protein AY 252.1 antioxidative Inhouse_peptide NA peptide +MJ015941 4-[(6,7-Dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino]benzonitrile C14H12N4O 252.101111 NA MeJP NA NA +7842 ACE inhibitor HP 252.11 immunomodulating Inhouse_peptide NA peptide +7843 ACE inhibitor PH 252.11 immunomodulating Inhouse_peptide NA peptide +CJpos0637 Phe Ser Ser Phe [(M+H)]+ C12H17N2O4 252.110475 C18rt(min)=5.01 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0637 Phe Ser § Ser Phe [(M+H)]+ C12H17N2O4 252.110475 C18rt(min)=5.01 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C03068 3-Hydroxyhexobarbital C12H16N2O4 252.111 NA KEGG NA NA +PJ000102 AY C12H16N2O4 252.111 NA PeJP NA NA +MJ015942 2,5-Diamino-4-hydroxypentanoic acid, N5-Benzoyl C12H16N2O4 252.111007 NA MeJP NA NA +MJ015943 2-(4-Hydroxy-3-nitrophenyl)ethylamine; N-(2-Methylpropanoyl) C12H16N2O4 252.111007 NA MeJP NA NA +MJ015944 Glutamic acid, N-(2-Pyridinylethyl) C12H16N2O4 252.111007 NA MeJP NA NA +MJ015945 N-?-Alanyltyrosine C12H16N2O4 252.111007 NA MeJP NA NA +C10628 cis-Hinokiresinol C17H16O2 252.115 NA KEGG NA NA +C14897 p-(3,4-Dihydro-6-methoxy-2-naphthyl)phenol C17H16O2 252.115 NA KEGG NA NA +MJ015946 1,5-Bis(4-hydroxyphenyl)-1,4-pentadiene C17H16O2 252.115029 NA MeJP NA NA +MJ015947 2,3,5,6-Tetramethylxanthone C17H16O2 252.115029 NA MeJP NA NA +MJ015948 2-Phenylethanol; Cinnamoyl C17H16O2 252.115029 NA MeJP NA NA +MJ015949 6,7-Dihydroxy-1,2-dimethylphenanthrene; 7-Me ether C17H16O2 252.115029 NA MeJP NA NA +MJ015950 Effusol C17H16O2 252.115029 NA MeJP NA NA +MJ015951 Flindersiachromanone C17H16O2 252.115029 NA MeJP NA NA +MJ015952 Hinokiresinol C17H16O2 252.115029 NA MeJP NA NA +MJ015953 Sequirin D C17H16O2 252.115029 NA MeJP NA NA +MJ015954 Cimetidine C10H16N6S 252.115715 NA MeJP NA NA +MJ015955 2,3-Butanediol, O-?-D-Glucopyranoside C10H20O7 252.120902 NA MeJP NA NA +MJ015956 2-Methyl-1,2-propanediol; 2-O-?-D-Glucopyranoside C10H20O7 252.120902 NA MeJP NA NA +PJ000103 PH C11H16N4O3 252.1223 NA PeJP NA NA +MJ015957 Elymoclavine; 5,10-Didehydro C16H16N2O 252.126263 NA MeJP NA NA +MJ015958 Glycozolone A C16H16N2O 252.126263 NA MeJP NA NA +3290 NA KRDS 252.12695 MH2+ Inhouse_peptide NA peptide +MJ015959 2-(3-Chloro-1,3-dimethylcyclohexyl)-5-methylphenol C15H21ClO 252.128093 NA MeJP NA NA +MJ015960 2-(4-Chloro-1,3-dimethylcyclohexyl)-5-methylphenol C15H21ClO 252.128093 NA MeJP NA NA +MJ015961 4-Chloro-3,7-chamigradien-9-one C15H21ClO 252.128093 NA MeJP NA NA +MJ015962 6-Chloro-3,9,12-pentadecatrien-1-yn-7-ol C15H21ClO 252.128093 NA MeJP NA NA +MJ015963 7-Chloro-3,9,12-pentadecatrien-1-yn-6-ol C15H21ClO 252.128093 NA MeJP NA NA +MJ015964 Perforenone; 3?-Chloro C15H21ClO 252.128093 NA MeJP NA NA +MJ015965 Ubiquinol C14H20O4 252.136159 NA MeJP NA NA +MJ015966 1,10-Epoxy-2-hydroxy-13-nor-7,11-nardosinanedione C14H20O4 252.136159 NA MeJP NA NA +MJ015967 1-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 1-Et, 3',4',5'-tri-Me ether C14H20O4 252.136159 NA MeJP NA NA +MJ015968 1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-O-(3-Methylbutanoyl) C14H20O4 252.136159 NA MeJP NA NA +MJ015969 12-Noralliacolide C14H20O4 252.136159 NA MeJP NA NA +MJ015970 2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione C14H20O4 252.136159 NA MeJP NA NA +MJ015971 2-(Acetoxymethenyl)-1-(2-acetoxy-1-methylethenyl)-3-methylcyclopentane C14H20O4 252.136159 NA MeJP NA NA +MJ015972 2-Hydroxylemnoliadione C14H20O4 252.136159 NA MeJP NA NA +MJ015973 2-Methyl-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-butanone; 4'-Me ether C14H20O4 252.136159 NA MeJP NA NA +MJ015974 2-Methyl-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-propanone; 2',4'-Di-Me ether C14H20O4 252.136159 NA MeJP NA NA +MJ015975 2-Pinene-4,6-diol, Di-Ac C14H20O4 252.136159 NA MeJP NA NA +MJ015976 3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 1-Et, 3',4',5'-tri-Me ether C14H20O4 252.136159 NA MeJP NA NA +MJ015977 4,7-Dihydroxy-2,5,8-tetradecatrien-1,13-olide C14H20O4 252.136159 NA MeJP NA NA +MJ015978 4-(3-Methyl-2-butenyl)-1,2,3,5-benzenetetrol; 1,2,3-Tri-Me ether C14H20O4 252.136159 NA MeJP NA NA +MJ015979 6-(2-Acetyloxy-4-heptenyl)-5,6-dihydro-2H-pyran-2-one C14H20O4 252.136159 NA MeJP NA NA +MJ015980 6-Hydroxy-12,13-dinor-3-oxo-4-eudesmen-11-oic acid, Me ester C14H20O4 252.136159 NA MeJP NA NA +MJ015981 Butoxylspiciferin C14H20O4 252.136159 NA MeJP NA NA +MJ015982 Flavesone C14H20O4 252.136159 NA MeJP NA NA +MJ015983 Frequentin C14H20O4 252.136159 NA MeJP NA NA +MJ015984 Herbasolide C14H20O4 252.136159 NA MeJP NA NA +MJ015985 Illifunone C14H20O4 252.136159 NA MeJP NA NA +MJ015986 Oreadone; 3?-Hydroxy C14H20O4 252.136159 NA MeJP NA NA +MJ015987 Panellol C14H20O4 252.136159 NA MeJP NA NA +MJ015988 Tasmanone C14H20O4 252.136159 NA MeJP NA NA +MJ015989 Umuravumbolide C14H20O4 252.136159 NA MeJP NA NA +MJ015990 2,6-Dimethyl-1-nonanol; O-Sulfate C11H24O4S 252.139529 NA MeJP NA NA +2628 synthetic fr,of human beta-CN (49-52) ACE inhibitor LIYP 252.1415 MH2+ Inhouse_peptide NA peptide +MJ015991 Hydroxyprocaine C13H20N2O3 252.147392 NA MeJP NA NA +EUR394 Estrone F2 F2 252.152475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR394 Estrone F2 NA 252.152475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR394 Estrone F2 F2 252.152475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR394 Estrone F2 NA 252.152475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR394 Estrone F2 F2 252.152475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR394 Estrone F2 NA 252.152475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR394 Estrone F2 F2 252.152475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR394 Estrone F2 F2 252.152475 standards wishlist analysés sur QTOF HMDB NA NA +EUR394 Estrone F2 F2 252.152475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR394 Estrone F2 NA 252.152475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR394 Estrone F2 F2 252.152475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR394 Estrone F2 F2 252.152475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C10926 Hexazinone C12H20N4O2 252.1586 NA KEGG NA NA +MJ015992 Aristomakine; Deisopropyl C17H20N2 252.162648 NA MeJP NA NA +MJ015993 Deplancheine C17H20N2 252.162648 NA MeJP NA NA +MJ015994 Uleine, De-N-Me C17H20N2 252.162648 NA MeJP NA NA +C09645 Cuauhtemone C15H24O3 252.1725 NA KEGG NA NA +C16504 Juvenile hormone III acid C15H24O3 252.1725 NA KEGG NA NA +C17502 Sugetriol C15H24O3 252.1725 NA KEGG NA NA +C17605 Kikkanol C C15H24O3 252.1725 NA KEGG NA NA +C17607 Kikkanol E C15H24O3 252.1725 NA KEGG NA NA +C17612 Indicumenone C15H24O3 252.1725 NA KEGG NA NA +MJ015995 1(10),4(15)-Germacradiene-2,5,6-triol, 2-Ketone C15H24O3 252.172544 NA MeJP NA NA +MJ015996 1(10),4(15)-Germacradiene-5,6,14-triol, 14-Aldehyde C15H24O3 252.172544 NA MeJP NA NA +MJ015997 1(10),4(15)-Lepidozadien-5-ol, 5-Hydroperoxide, 1?,10?-epoxide C15H24O3 252.172544 NA MeJP NA NA +MJ015998 1(10),4,11-Germacratrien-9-ol, 1?,10?:4?,5?-Diepoxide C15H24O3 252.172544 NA MeJP NA NA +MJ015999 1(10)-Eremophilene-2,8,11-triol, 2-Ketone C15H24O3 252.172544 NA MeJP NA NA +MJ016000 1,10-Epoxy-15-hydroperoxy-4-lepidozene C15H24O3 252.172544 NA MeJP NA NA +MJ016001 1,10-Epoxy-4(15),11-germacradiene-5,9-diol C15H24O3 252.172544 NA MeJP NA NA +MJ016002 1,11-Dihydroxy-4-guaien-3-one C15H24O3 252.172544 NA MeJP NA NA +MJ016003 1,3,5-Bisabolatriene-1,7,15-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016004 1,3-Dihydroxy-4-eudesmen-6-one C15H24O3 252.172544 NA MeJP NA NA +MJ016005 1,4-Epidioxy-6-cadinen-5-ol C15H24O3 252.172544 NA MeJP NA NA +MJ016006 1,4-Epoxy-10(14),11-germacradiene-3,5-diol C15H24O3 252.172544 NA MeJP NA NA +MJ016007 1,4-Epoxy-4-hydroxy-6-xanthen-5-one C15H24O3 252.172544 NA MeJP NA NA +MJ016008 1,4:4,5-Diepoxy-10(14)-xanthen-6-ol C15H24O3 252.172544 NA MeJP NA NA +MJ016009 1-Hydroxy-2,10-bisaboladien-12-oic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016010 1-Hydroxy-2,10-bisaboladien-15-oic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016011 1-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, 11,13-Dihydro C15H24O3 252.172544 NA MeJP NA NA +MJ016012 10(14)-Aromadendrene-2,3,4-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016013 10(14)-Aromadendrene-4,8,13-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016014 10,14-Dihydroxy-4,11-germacradien-1-one C15H24O3 252.172544 NA MeJP NA NA +MJ016015 11,12-Dihydroxy-1(10)-spirovetiven-2-one C15H24O3 252.172544 NA MeJP NA NA +MJ016016 11,12-Drimanediol; 12-Carboxylic acid, 11-aldehyde C15H24O3 252.172544 NA MeJP NA NA +MJ016017 11,12-Epoxy-7-drimene-3,11-diol C15H24O3 252.172544 NA MeJP NA NA +MJ016018 11-Eremophilene-2,8,9-triol, 2-Ketone C15H24O3 252.172544 NA MeJP NA NA +MJ016019 11-Eremophilene-3,8,9-triol, 8-Ketone C15H24O3 252.172544 NA MeJP NA NA +MJ016020 11-Eremophilene-3,8,9-triol, 9-Ketone C15H24O3 252.172544 NA MeJP NA NA +MJ016021 11-Hydroperoxy-3(15),4,9-bisabolatrien-2-ol C15H24O3 252.172544 NA MeJP NA NA +MJ016022 11-Hydroxy-1(10)-spirovetiven-14-oic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016023 11-Hydroxy-8(12)-drimen-13-oic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016024 12,14-Dihydroxy-3(15)-caryophyllen-8-one C15H24O3 252.172544 NA MeJP NA NA +MJ016025 13-Hydroxy-10-sesquigeran-1,12-olidic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016026 15-Asteriscanoic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016027 15-Hydroxydihydro-?-agarofuran, 15-Carboxylic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016028 2,11-Dihydroxy-4-eudesmen-3-one; 2?-form C15H24O3 252.172544 NA MeJP NA NA +MJ016029 2,3-Dihydroxy-11-spirovetiven-14-al C15H24O3 252.172544 NA MeJP NA NA +MJ016030 2,4-Epidioxy-3(15)-allohimachalen-6-ol C15H24O3 252.172544 NA MeJP NA NA +MJ016031 2,6,10-Farnesatriene-1,5,12-triol, 12-Aldehyde C15H24O3 252.172544 NA MeJP NA NA +MJ016032 2-Sterpurene-6,10-diol; 4?-Hydroxy C15H24O3 252.172544 NA MeJP NA NA +MJ016033 2-Sterpurene-6,12,15-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016034 3(15),6-Caryophylladiene-4,8,9-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016035 3(15)-Longipinene-4,12,13-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016036 3(4?5)-Abeo-4,11:4,12-diepoxy-3-eudesmanol C15H24O3 252.172544 NA MeJP NA NA +MJ016037 3,11-Dihydroxy-1,6,9-farnesatrien-8-one C15H24O3 252.172544 NA MeJP NA NA +MJ016038 3,11-Dihydroxy-6-eudesmen-8-one C15H24O3 252.172544 NA MeJP NA NA +MJ016039 3,11-Dihydroxy-7-drimen-6-one C15H24O3 252.172544 NA MeJP NA NA +MJ016040 3,4-Dihydroxy-1,10-bisaboladien-9-one C15H24O3 252.172544 NA MeJP NA NA +MJ016041 3,4-Dihydroxy-7(11)-eudesmen-8-one C15H24O3 252.172544 NA MeJP NA NA +MJ016042 3,4-Epoxy-6,9-germacranedione C15H24O3 252.172544 NA MeJP NA NA +MJ016043 3,5-Dihydroxy-1,6,10-farnesatrien-9-one C15H24O3 252.172544 NA MeJP NA NA +MJ016044 3,8-Dihydroxy-1,6,10-farnesatrien-9-one C15H24O3 252.172544 NA MeJP NA NA +MJ016045 3-Hydroperoxy-4,10(14)-guaiadien-11-ol C15H24O3 252.172544 NA MeJP NA NA +MJ016046 3-Hydroxy-1(10)-germacren-12,6-olide C15H24O3 252.172544 NA MeJP NA NA +MJ016047 3-Hydroxy-12,8-eudesmanolide C15H24O3 252.172544 NA MeJP NA NA +MJ016048 3-Hydroxy-12-cedranoic acid; 3?,11?-form C15H24O3 252.172544 NA MeJP NA NA +MJ016049 3-Hydroxy-14-cedranoic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016050 3-Hydroxy-4(15)-eudesmen-12-oic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016051 3-Hydroxylongibornane-3,5-endoperoxide C15H24O3 252.172544 NA MeJP NA NA +MJ016052 3-Longipinene-12,13,15-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016053 4(15),10(14),11(13)-Germacratriene-1,5,12-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016054 4(15),10(14),11-Germacratriene-1,5,9-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016055 4(15),11(13)-Eudesmadiene-7,8,12-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016056 4,10(14)-Cadinadiene-3,8,9-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016057 4,10(14)-Cadinadiene-8,9,15-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016058 4,10(14)-Germacradiene-1,6,11-triol, 1-Ketone C15H24O3 252.172544 NA MeJP NA NA +MJ016059 4,10(14)-Muuroladiene-1,3,9-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016060 4,10-Dihydroxy-7(11)-guaien-8-one C15H24O3 252.172544 NA MeJP NA NA +MJ016061 4,11(13)-Cadinadiene-12,15-diol, 15-Carboxylic acid, 11,13-dihydro C15H24O3 252.172544 NA MeJP NA NA +MJ016062 4,6-Dihydroxy-11(13)-eudesmen-12-oic acid, 12-Aldehyde C15H24O3 252.172544 NA MeJP NA NA +MJ016063 4,6-Dihydroxy-7-daucen-9-one C15H24O3 252.172544 NA MeJP NA NA +MJ016064 4,6-Dihydroxy-8-daucen-10-one C15H24O3 252.172544 NA MeJP NA NA +MJ016065 4,7-Dihydroxy-2,10-bisaboladien-1-one C15H24O3 252.172544 NA MeJP NA NA +MJ016066 4,9-Dihydroxy-7-daucen-6-one C15H24O3 252.172544 NA MeJP NA NA +MJ016067 4-Amorphene-11,15-diol; 15-Carboxylic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016068 4-Hydroperoxy-2,10(14)-guaiadien-11-ol C15H24O3 252.172544 NA MeJP NA NA +MJ016069 4-Hydroxy-1(5),11(13)-xanthadien-12-oic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016070 4-Hydroxy-1,10-seco-5-muurolene-1,10-dione C15H24O3 252.172544 NA MeJP NA NA +MJ016071 4-Hydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro C15H24O3 252.172544 NA MeJP NA NA +MJ016072 4-Hydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro C15H24O3 252.172544 NA MeJP NA NA +MJ016073 4-Hydroxy-11(13)-eudesmen-12-oic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016074 4-Hydroxy-11(13)-pseudoguaien-12-oic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016075 4-Hydroxy-3,15-dinor-2,3-seco-2-africanone; Ac C15H24O3 252.172544 NA MeJP NA NA +MJ016076 4-Muurolene-7,15-diol, 15-Carboxylic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016077 5,11-Dihydroxy-3,7(14)-bisaboladien-2-one C15H24O3 252.172544 NA MeJP NA NA +MJ016078 5,11-Dihydroxy-7-drimen-6-one C15H24O3 252.172544 NA MeJP NA NA +MJ016079 5,14-Dihydroxy-8-marasmanone; 7à H-form C15H24O3 252.172544 NA MeJP NA NA +MJ016080 5,6-Dihydroxy-3(15)-caryophyllen-8-one C15H24O3 252.172544 NA MeJP NA NA +MJ016081 5,7,9-Hirsutanetriol, 5-Ketone C15H24O3 252.172544 NA MeJP NA NA +MJ016082 5,8-Epoxy-4-hydroxy-3-amorphanone C15H24O3 252.172544 NA MeJP NA NA +MJ016083 5,9-Dihydroxy-1(6)-brasilen-7-one C15H24O3 252.172544 NA MeJP NA NA +MJ016084 5,9-Epidioxy-7-daucen-6-ol C15H24O3 252.172544 NA MeJP NA NA +MJ016085 5-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid; 5?-form, 4?,15-Dihydro C15H24O3 252.172544 NA MeJP NA NA +MJ016086 5-Protoilludene-7,8,14-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016087 6,11-Dihydroxy-3-eudesmen-2-one; 6?-form C15H24O3 252.172544 NA MeJP NA NA +MJ016088 6,11-Dihydroxy-4-eudesmen-3-one C15H24O3 252.172544 NA MeJP NA NA +MJ016089 6,11-Dihydroxy-4-guaien-3-one C15H24O3 252.172544 NA MeJP NA NA +MJ016090 6-Hydroxy-7-methyl-3-(4-methyl-3-pentenyl)-2,7-octadienoic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016091 6-Protoilludene-4,8,14-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016092 6-Protoilludene-5,8,14-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016093 7,10-Dihydroxy-2-bisabolen-4-one C15H24O3 252.172544 NA MeJP NA NA +MJ016094 7,10-Epidioxy-6-hydroxy-1(5)-guaien-2-one C15H24O3 252.172544 NA MeJP NA NA +MJ016095 7,11-Dihydroxy-1(10)-nardosinen-9-one C15H24O3 252.172544 NA MeJP NA NA +MJ016096 7,11-Dihydroxy-3,9-bisaboladien-2-one C15H24O3 252.172544 NA MeJP NA NA +MJ016097 7,11-Dihydroxy-3-eudesmen-2-one; 7?-form C15H24O3 252.172544 NA MeJP NA NA +MJ016098 7,11-Dihydroxy-4-eudesmen-3-one; 7?-form C15H24O3 252.172544 NA MeJP NA NA +MJ016099 7,12-Dihydroxy-4-amorphen-3-one C15H24O3 252.172544 NA MeJP NA NA +MJ016100 7-Drimene-6,9,11-triol, 6-Ketone C15H24O3 252.172544 NA MeJP NA NA +MJ016101 7-Hydroxy-11,12-drimanolide C15H24O3 252.172544 NA MeJP NA NA +MJ016102 7-Hydroxy-2,10-bisaboladien-15-oic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016103 7-Hydroxy-3,8-acoranedione C15H24O3 252.172544 NA MeJP NA NA +MJ016104 7-Hydroxy-7-methyl-3-(4-methyl-3-pentenyl)-2,5-octadienoic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016105 7-Hydroxy-8(12)-drimen-11-oic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016106 7-Isopropyl-4-methyl-10-oxo-5-undecen-4-olide C15H24O3 252.172544 NA MeJP NA NA +MJ016107 7-Protoilludene-4,6,14-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016108 8,11-Dihydroxy-3-eudesmen-2-one C15H24O3 252.172544 NA MeJP NA NA +MJ016109 8,12-Epoxy-1(10),4-germacradiene-6,12-diol C15H24O3 252.172544 NA MeJP NA NA +MJ016110 8,14-Dihydroxy-5-marasmanal C15H24O3 252.172544 NA MeJP NA NA +MJ016111 8,9-Dihydroxy-3-eudesmen-15-al C15H24O3 252.172544 NA MeJP NA NA +MJ016112 8-Hydroxy-12,11-drimanolide; 8?-form C15H24O3 252.172544 NA MeJP NA NA +MJ016113 8-Hydroxy-4(6)-lactarene-5,14-diol, 5-Aldehyde C15H24O3 252.172544 NA MeJP NA NA +MJ016114 9(12)-Capnellene-2,8,10-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016115 9(12)-Capnellene-3,8,10-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016116 9(12)-Capnellene-5,8,10-triol C15H24O3 252.172544 NA MeJP NA NA +MJ016117 9,10-Dihydroxy-4-oplopanone, 11,12-Didehydro C15H24O3 252.172544 NA MeJP NA NA +MJ016118 9,11-Guaiadiene-3,4-diol, 8?-Hydroxy C15H24O3 252.172544 NA MeJP NA NA +MJ016119 9,12-Dihydroxy-4-eudesmen-3-one C15H24O3 252.172544 NA MeJP NA NA +MJ016120 9-Oxo-2-bisabolen-15-oic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016121 Abscisic alcohol; 9,10-Dihydro C15H24O3 252.172544 NA MeJP NA NA +MJ016122 Antibiotic AM 6898E C15H24O3 252.172544 NA MeJP NA NA +MJ016123 Apotrichothecene; 3?-Hydroxy C15H24O3 252.172544 NA MeJP NA NA +MJ016124 Apotrichothecene; 3?-Hydroxy C15H24O3 252.172544 NA MeJP NA NA +MJ016125 Chiloscypholone; 11?,12-Epoxide C15H24O3 252.172544 NA MeJP NA NA +MJ016126 Curcarabranol A C15H24O3 252.172544 NA MeJP NA NA +MJ016127 Fabianane C15H24O3 252.172544 NA MeJP NA NA +MJ016128 Hanalpinol C15H24O3 252.172544 NA MeJP NA NA +MJ016129 Hebelophyllene E C15H24O3 252.172544 NA MeJP NA NA +MJ016130 Hydroxydavanone C15H24O3 252.172544 NA MeJP NA NA +MJ016131 Illudosin C15H24O3 252.172544 NA MeJP NA NA +MJ016132 Isotrichodiol C15H24O3 252.172544 NA MeJP NA NA +MJ016133 Lancifolide C15H24O3 252.172544 NA MeJP NA NA +MJ016134 Lanomycin; O-De(aminoacetyl) C15H24O3 252.172544 NA MeJP NA NA +MJ016135 Lemnacarnol C15H24O3 252.172544 NA MeJP NA NA +MJ016136 Macnabin C15H24O3 252.172544 NA MeJP NA NA +MJ016137 Myoporone, (9R)-Alcohol C15H24O3 252.172544 NA MeJP NA NA +MJ016138 Phytuberol C15H24O3 252.172544 NA MeJP NA NA +MJ016139 Prehelminthosporol; 14-Hydroxy C15H24O3 252.172544 NA MeJP NA NA +MJ016140 Prehelminthosporol; 9-Hydroxy C15H24O3 252.172544 NA MeJP NA NA +MJ016141 Punctaporonin A C15H24O3 252.172544 NA MeJP NA NA +MJ016142 Punctaporonin B C15H24O3 252.172544 NA MeJP NA NA +MJ016143 Punctaporonin E C15H24O3 252.172544 NA MeJP NA NA +MJ016144 Sambucoin; 2-Deoxy, 11-epimer, 3?-hydroxy C15H24O3 252.172544 NA MeJP NA NA +MJ016145 Smenospongic acid C15H24O3 252.172544 NA MeJP NA NA +MJ016146 Sulcatine G C15H24O3 252.172544 NA MeJP NA NA +MJ016147 Toxin FS2 C15H24O3 252.172544 NA MeJP NA NA +MJ016148 Trichodiol A C15H24O3 252.172544 NA MeJP NA NA +MJ016149 Trichotriol; 3-Deoxy C15H24O3 252.172544 NA MeJP NA NA +MJ016150 Urodiolenone C15H24O3 252.172544 NA MeJP NA NA +MetaCyc02280 3-hydroxylubimin [] C15H24O3 252.172545 NA metacyc NA NA +MJ016151 2,2'-(1,2-Ethanediyl)bis[1-methyl-3-piperidinone] C14H24N2O2 252.183778 NA MeJP NA NA +MJ016152 Dendrobates Alkaloid 252 C14H24N2O2 252.183778 NA MeJP NA NA +MJ016153 20-Nor-5(10),6,8,11,13-abietapentaene C19H24 252.1878 NA MeJP NA NA +EUR392 Dehydroepiandrosterone F3 F3 252.188875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR392 Dehydroepiandrosterone F3 NA 252.188875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR392 Dehydroepiandrosterone F3 F3 252.188875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR392 Dehydroepiandrosterone F3 NA 252.188875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR392 Dehydroepiandrosterone F3 F3 252.188875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR392 Dehydroepiandrosterone F3 NA 252.188875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR392 Dehydroepiandrosterone F3 F3 252.188875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR392 Dehydroepiandrosterone F3 F3 252.188875 standards wishlist analysés sur QTOF HMDB NA NA +EUR392 Dehydroepiandrosterone F3 F3 252.188875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR392 Dehydroepiandrosterone F3 NA 252.188875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR392 Dehydroepiandrosterone F3 F3 252.188875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR392 Dehydroepiandrosterone F3 F3 252.188875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C16795 Hydnocarpic acid C16H28O2 252.2089 NA KEGG NA NA +HMDB00477 7Z,10Z-Hexadecadienoic acid C16H28O2 252.20892 http://www.hmdb.ca/metabolites/HMDB00477 HMDB NA NA +HMDB00480 7,10-Hexadecadienoic acid C16H28O2 252.20892 http://www.hmdb.ca/metabolites/HMDB00480 HMDB NA NA +HMDB00477 7Z,10Z-Hexadecadienoic acid C16H28O2 252.20892 HMDB00477 PFEM_hmdb_metabocards_official NA NA +HMDB00480 7,10-Hexadecadienoic acid C16H28O2 252.20892 HMDB00480 PFEM_hmdb_metabocards_official NA NA +HMDB00477 7Z,10Z-Hexadecadienoic acid C16H28O2 252.208923 NA HMDB2010 NA NA +HMDB00480 7,10-Hexadecadienoic acid C16H28O2 252.208923 NA HMDB2010 NA NA +MJ016154 1,6,9-Farnesatriene-3,11-diol; 11-Me ether C16H28O2 252.20893 NA MeJP NA NA +MJ016155 11,12-Epoxy-11-drimanol; 11?-form, 11-Me ether C16H28O2 252.20893 NA MeJP NA NA +MJ016156 11-(2-Cyclopentenyl)undecanoic acid C16H28O2 252.20893 NA MeJP NA NA +MJ016157 13,14,15,16-Tetranor-3-clerodene-12,18-diol; ent-form C16H28O2 252.20893 NA MeJP NA NA +MJ016158 3,5-Tetradecadien-1-ol, Ac C16H28O2 252.20893 NA MeJP NA NA +MJ016159 3,7-Dimethyl-2,6-octadien-1-ol, Hexanoyl C16H28O2 252.20893 NA MeJP NA NA +MJ016160 3,7-Tetradecadien-1-ol, Ac C16H28O2 252.20893 NA MeJP NA NA +MJ016161 3,8-Tetradecadien-1-ol, Ac C16H28O2 252.20893 NA MeJP NA NA +MJ016162 3-Dodecen-1-ol, 2E-Butenoyl C16H28O2 252.20893 NA MeJP NA NA +MJ016163 4(15),7(11)-Oppositadien-1-ol, 7,11-Dihydro, 7?-methoxy C16H28O2 252.20893 NA MeJP NA NA +MJ016164 4(15)-Eudesmene-1,6-diol, 6-Me ether C16H28O2 252.20893 NA MeJP NA NA +MJ016165 4,10-Aromadendranediol, 10-Me ether C16H28O2 252.20893 NA MeJP NA NA +MJ016166 4,9-Hexadecadienoic acid C16H28O2 252.20893 NA MeJP NA NA +MJ016167 5,8-Tetradecadienoic acid, Et ester C16H28O2 252.20893 NA MeJP NA NA +MJ016168 5,9-Hexadecadienoic acid C16H28O2 252.20893 NA MeJP NA NA +MJ016169 6,9-Hexadecadienoic acid C16H28O2 252.20893 NA MeJP NA NA +MJ016170 6-Guaiene-4,10-diol, 10-Me ether C16H28O2 252.20893 NA MeJP NA NA +MJ016171 6-Isopropenyl-3-methyl-9-decen-1-ol, Ac C16H28O2 252.20893 NA MeJP NA NA +MJ016172 7-Hexadecen-1,16-olide C16H28O2 252.20893 NA MeJP NA NA +MJ016173 7-Hexadecynoic acid C16H28O2 252.20893 NA MeJP NA NA +MJ016174 9,11-Dodecadien-1-ol, Butanoyl C16H28O2 252.20893 NA MeJP NA NA +MJ016175 9,12-Hexadecadienoic acid C16H28O2 252.20893 NA MeJP NA NA +MJ016176 9,12-Tetradecadien-1-ol, Ac C16H28O2 252.20893 NA MeJP NA NA +MJ016177 ?-Monocyclonerolidol; 8-Hydroxy, 9-Me ether C16H28O2 252.20893 NA MeJP NA NA +MJ016178 Chokol H; 10-Me ether C16H28O2 252.20893 NA MeJP NA NA +MJ016179 Cioteronel C16H28O2 252.20893 NA MeJP NA NA +MJ016180 10-Heptadecen-2-one C17H32O 252.245315 NA MeJP NA NA +MJ016181 14-Methyl-8-hexadecenal C17H32O 252.245315 NA MeJP NA NA +MJ016182 2-(9-Decenyl)-3-pentyloxirane C17H32O 252.245315 NA MeJP NA NA +MJ016183 3-Heptadecen-2-one C17H32O 252.245315 NA MeJP NA NA +MJ016184 4,6,8,10-Tetramethyl-4-tridecen-3-one C17H32O 252.245315 NA MeJP NA NA +MJ016185 8,11,14-Heptadecatrienal, 11,12,14,15-Tetrahydro C17H32O 252.245315 NA MeJP NA NA +MJ016186 1-Octadecene C18H36 252.281701 NA MeJP NA NA +MJ016187 3-Cyclohexyldodecane C18H36 252.281701 NA MeJP NA NA +3662 NA ITGSE 252.613 MH2+ Inhouse_peptide NA peptide +HMDB03379 Triphosphate [P3O10]5- 252.870438 NA HMDB2010 NA NA +HMDB03379 Triphosphate O10P3 252.87044 http://www.hmdb.ca/metabolites/HMDB03379 HMDB NA NA +HMDB03379 Triphosphate O10P3 252.87044 HMDB03379 PFEM_hmdb_metabocards_official NA NA +MJ016188 2,3,4,7-Tetrachloro-1H-indole C8H3Cl4N 252.901959 NA MeJP NA NA +MJ016189 Dichlorophenarsine C6H6AsCl2NO 252.90424 NA MeJP NA NA +MJ016190 4-Aminophenol; N-Trichloroacetyl C8H6Cl3NO2 252.946411 NA MeJP NA NA +MJ016191 Mercury amide chloride ClH2HgN 252.958202 NA MeJP NA NA +MJ016192 6-Bromo-3-(hydroxyacetyl)-1H-indole C10H8BrNO2 252.973841 NA MeJP NA NA +MJ016193 Brosuximide C10H8BrNO2 252.973841 NA MeJP NA NA +MJ016194 Fenclozic acid C11H8ClNO2S 252.996426 NA MeJP NA NA +MJ016195 3-(3-Bromophenyl)-2-propenoic acid, Ethylamide C11H12BrNO 253.010226 NA MeJP NA NA +MJ016196 2-Carboxy-6-chloro-1H-indole-3-acetic acid C11H8ClNO4 253.014185 NA MeJP NA NA +MJ016197 7-Chloro-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylic acid; Me ester C11H8ClNO4 253.014185 NA MeJP NA NA +MJ016198 Furathiazole C9H7N3O4S 253.015726 NA MeJP NA NA +MJ016199 Tizanidine C9H8ClN5S 253.018893 NA MeJP NA NA +C07452 Tizanidine C9H8ClN5S 253.0189 NA KEGG NA NA +MJ016200 Guanisoquine C10H12BrN3 253.02146 NA MeJP NA NA +MJ016201 5-(3'-Carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinate C10H7NO7 253.022251 NA MeJP NA NA +MetaCyc02281 5-(3-carboxy-3-oxopropenyl)-4,6-dihydroxypyridine-2-carboxylate [] C10H7N1O7 253.022252 NA metacyc NA NA +C05641 5-(3'-Carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinate C10H7NO7 253.0223 NA KEGG NA NA +C04798 5-Amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyridazinone C10H8ClN3O3 253.0254 NA KEGG NA NA +C04799 Colominic acid(non-reducing N- or O-acylneuraminyl residue) C10H8ClN3O3 253.0254 NA KEGG NA NA +C04800 D-Glucuronyl-N-acetyl-1,3-beta-D-galactosaminylproteoglycan C41H63N3O34R2 253.0254 NA KEGG NA NA +C04801 [3-Methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)] C17H27N5O4SR2 253.0254 NA KEGG NA NA +C04802 m7G(5')pppRm-RNA (mRNA containing a 2'-O-methylpurine cap) C22H36N5O23P4R2 253.0254 NA KEGG NA NA +C04803 Oligosaccharide(non-reducing N- or O-acylneuraminyl residue) C22H36N5O23P4R2 253.0254 NA KEGG NA NA +MetaCyc02282 5-amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyridazinone [] C10H8N3O3CL1 253.025419 NA metacyc NA NA +MJ016202 8-Hydroxy-5-quinolinesulfonic acid; Et ether C11H11NO4S 253.040878 NA MeJP NA NA +C07315 Sulfamethoxazole C10H11N3O3S 253.0521 NA KEGG NA NA +MJ016203 Sulfamethoxazole C10H11N3O3S 253.052111 NA MeJP NA NA +C11467 N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate C11H11NO6 253.0586 NA KEGG NA NA +MJ016204 Aspartic acid, N-(2-Hydroxybenzoyl) C11H11NO6 253.058637 NA MeJP NA NA +MJ016205 Blepharismone C11H11NO6 253.058637 NA MeJP NA NA +MJ016206 Dysidamide C C10H17Cl2NO2 253.063634 NA MeJP NA NA +MJ016207 Uracinin C10H11N3O5 253.06987 NA MeJP NA NA +MJ016208 2,3-Dihydroxy-4-phenylquinoline; 3'-Hydroxy C15H11NO3 253.073893 NA MeJP NA NA +MJ016209 4-Methylbenzo[g]quinoline-5,10-dione; 7-Methoxy C15H11NO3 253.073893 NA MeJP NA NA +MJ016210 Cridanimod C15H11NO3 253.073893 NA MeJP NA NA +MJ016211 Crinasiadine; N-Me C15H11NO3 253.073893 NA MeJP NA NA +MJ016212 Furegrelate C15H11NO3 253.073893 NA MeJP NA NA +C14264 2-(4-Hydroxybenzyl)isoindole-1,3-dione C15H11NO3 253.0739 NA KEGG NA NA +C14620 2-Acetamido-6H-dibenzo[b,d]pyran-6-one C15H11NO3 253.0739 NA KEGG NA NA +C14920 N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)acetamide C15H11NO3 253.0739 NA KEGG NA NA +MJ016213 Mezolidon C12H15NO3S 253.077264 NA MeJP NA NA +MJ016214 Thiorphan C12H15NO3S 253.077264 NA MeJP NA NA +MJ016215 Vanitiolide C12H15NO3S 253.077264 NA MeJP NA NA +C01619 Thiorphan C12H15NO3S 253.0773 NA KEGG NA NA +MJ016216 L-glycero-D-manno-Heptose; 7-O-Carbamoyl C8H15NO8 253.079766 NA MeJP NA NA +EUR064 Neopterin C9H11N5O4 253.0811 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00845 Neopterin C9H11N5O4 253.0811 http://www.hmdb.ca/metabolites/HMDB00845 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR064 Neopterin C9H11N5O4 253.0811 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR064 Neopterin C9H11N5O4 253.0811 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00727 L-Threoneopterin C9H11N5O4 253.0811 http://www.hmdb.ca/metabolites/HMDB00727 HMDB NA NA +HMDB00845 Neopterin C9H11N5O4 253.0811 http://www.hmdb.ca/metabolites/HMDB00845 HMDB NA NA +HMDB00877 Umanopterin C9H11N5O4 253.0811 http://www.hmdb.ca/metabolites/HMDB00877 HMDB NA NA +HMDB02109 Hydroxysepiapterin C9H11N5O4 253.0811 http://www.hmdb.ca/metabolites/HMDB02109 HMDB NA NA +EUR064 Neopterin C9H11N5O4 253.0811 Wishlist Inhousejuil11 NA NA +C05926 Neopterin C9H11N5O4 253.0811 NA KEGG NA NA +HMDB00845 Neopterin C9H11N5O4 253.0811 http://www.hmdb.ca/metabolites/HMDB00845 PFEM_hmdb_metabocards_blood NA blood +HMDB00727 L-Threoneopterin C9H11N5O4 253.0811 HMDB00727 PFEM_hmdb_metabocards_official NA NA +HMDB00845 Neopterin C9H11N5O4 253.0811 HMDB00845 PFEM_hmdb_metabocards_official NA NA +HMDB00877 Umanopterin C9H11N5O4 253.0811 HMDB00877 PFEM_hmdb_metabocards_official NA NA +HMDB02109 Hydroxysepiapterin C9H11N5O4 253.0811 HMDB02109 PFEM_hmdb_metabocards_official NA NA +HMDB00727 L-Threoneopterin C9H11N5O4 253.0811 NA HMDB2010 NA NA +HMDB00845 Neopterin C9H11N5O4 253.0811 NA HMDB2010 NA NA +HMDB00877 Umanopterin C9H11N5O4 253.0811 NA HMDB2010 NA NA +HMDB02109 Hydroxysepiapterin C9H11N5O4 253.0811 NA HMDB2010 NA NA +MJ016217 2-Amino-6-(1,2,3-trihydroxypropyl)-4(1H)-pteridinone C9H11N5O4 253.081103 NA MeJP NA NA +MJ016218 2-Amino-7-(1,2-dihydroxypropyl)-1,5-dihydro-4,6-pteridinedione, 9C1 C9H11N5O4 253.081103 NA MeJP NA NA +MJ016219 9-[2-(Hydroxymethyl)-1,3-dioxolan-4-yl]guanine C9H11N5O4 253.081103 NA MeJP NA NA +MJ016220 Anapterin C9H11N5O4 253.081103 NA MeJP NA NA +MJ016221 Eritadenine C9H11N5O4 253.081103 NA MeJP NA NA +MJ016222 Ichthyopterin C9H11N5O4 253.081103 NA MeJP NA NA +MJ016223 Navuridine C9H11N5O4 253.081103 NA MeJP NA NA +MJ016224 Neopterin C9H11N5O4 253.081103 NA MeJP NA NA +EUR064 Neopterin C9H11N5O4 253.081105 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR064 Neopterin C9H11N5O4 253.081105 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR064 Neopterin C9H11N5O4 253.081105 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR064 Neopterin C9H11N5O4 253.081105 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR064 Neopterin C9H11N5O4 253.081105 Wishlist HMDB NA NA +EUR064 Neopterin C9H11N5O4 253.081105 Wishlist Inhouse_PFEM NA NA +EUR064 Neopterin C9H11N5O4 253.081105 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR064 Neopterin C9H11N5O4 253.081105 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR280 Neopterine F1 NA 253.083775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR280 Neopterine F1 NA 253.083775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR280 Neopterine F1 NA 253.083775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR280 Neopterine F1 NA 253.083775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR280 Neopterine F1 NA 253.083775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR280 Neopterine F1 NA 253.083775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR280 Neopterine F1 NA 253.083775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR280 Néoptérine F1 NA 253.083775 standards wishlist analysés sur QTOF HMDB NA NA +EUR280 Neopterine F1 NA 253.083775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR280 Neopterine F1 NA 253.083775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR280 Neopterine F1 NA 253.083775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR280 Neopterine F1 NA 253.083775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ016225 Aeruginosin A C14H11N3O2 253.085126 NA MeJP NA NA +HMDB11716 N-Acetylvanilalanine C12H15NO5 253.095016 NA HMDB2010 NA NA +MJ016226 1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxy-1-isoquinolinecarboxylic acid C12H15NO5 253.095022 NA MeJP NA NA +MJ016227 2-(Hydroxyacetyl)-1H-pyrrole; N-(2-Acetoxyethyl), O-Ac C12H15NO5 253.095022 NA MeJP NA NA +MJ016228 N-(2,4-Dihydroxy-3,5,6-trimethylbenzoyl)glycine C12H15NO5 253.095022 NA MeJP NA NA +MJ016229 Lodenosine C10H12FN5O2 253.097502 NA MeJP NA NA +MJ016230 Carbantel C12H16ClN3O 253.098189 NA MeJP NA NA +MJ016231 Lincosamine; ?-Pyranose-form, 1-Thio, Me glycoside C9H19NO5S 253.098393 NA MeJP NA NA +MJ016232 Glutamic acid, 5-(4-Hydroxyphenylhydrazide) C11H15N3O4 253.106255 NA MeJP NA NA +MJ016233 Pyricarbate C11H15N3O4 253.106255 NA MeJP NA NA +C12842 Pyricarbate C11H15N3O4 253.1063 NA KEGG NA NA +C12843 Transferred to D01397 C11H15N3O4 253.1063 NA KEGG NA NA +C12844 Transferred to D01398 C11H15N3O4 253.1063 NA KEGG NA NA +C12845 Transferred to D01399 C11H15N3O4 253.1063 NA KEGG NA NA +C12846 Transferred to D01400 C11H15N3O4 253.1063 NA KEGG NA NA +C12847 Transferred to D01401 C11H15N3O4 253.1063 NA KEGG NA NA +C12848 Transferred to D01402 C11H15N3O4 253.1063 NA KEGG NA NA +HMDB01940 Triamterene C12H11N7 253.10759 http://www.hmdb.ca/metabolites/HMDB01940 HMDB NA NA +HMDB01940 Triamterene C12H11N7 253.10759 HMDB01940 PFEM_hmdb_metabocards_official NA NA +HMDB01940 Triamterene C12H11N7 253.10759 NA HMDB2010 NA NA +MJ016234 2,4,7-Triamino-5-phenylpyrimido[4,5-d]pyrimidine C12H11N7 253.107593 NA MeJP NA NA +MJ016235 2,4,7-Triamino-6-phenylpteridine C12H11N7 253.107593 NA MeJP NA NA +C07631 Proguanil C11H16ClN5 253.1094 NA KEGG NA NA +MJ016236 Proguanil C11H16ClN5 253.109423 NA MeJP NA NA +MJ016237 3-Methyl-9H-carbazole; N-(Ethoxycarbonyl) C16H15NO2 253.110278 NA MeJP NA NA +MJ016238 Alatamide C16H15NO2 253.110278 NA MeJP NA NA +MJ016239 Annopholine C16H15NO2 253.110278 NA MeJP NA NA +MJ016240 Apomorphine, N-De-Me C16H15NO2 253.110278 NA MeJP NA NA +MJ016241 Dinapsoline C16H15NO2 253.110278 NA MeJP NA NA +MJ016242 Tesimide C16H15NO2 253.110278 NA MeJP NA NA +MJ016243 Clathryimine A C16H16NO2(+) 253.110278 NA MeJP NA NA +C11084 Fenothiocarb C13H19NO2S 253.1137 NA KEGG NA NA +CJpos0638 Phe Ser Ser Phe [(M+H)]+ (13C) C1113CH17N2O4 253.113775 C18rt(min)=5.01 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0638 Phe Ser § Ser Phe [(M+H)]+ (13C) C1113CH17N2O4 253.113775 C18rt(min)=5.01 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ016244 1-O-(4-Amino-4-deoxy-?-D-mannopyranosyl)glycerol C9H19NO7 253.116151 NA MeJP NA NA +MJ016245 2-Amino-2-deoxyglucose; ?-D-Pyranose-form, 2,3-Dihydroxypropyl glycoside C9H19NO7 253.116151 NA MeJP NA NA +MJ016246 Omaciclovir C10H15N5O3 253.117489 NA MeJP NA NA +MJ016247 Penciclovir C10H15N5O3 253.117489 NA MeJP NA NA +C07417 Penciclovir C10H15N5O3 253.1175 NA KEGG NA NA +MJ016248 Antibiotic FR 900137 C8H20N3O4P 253.119142 NA MeJP NA NA +C10568 Anantine C15H15N3O 253.1215 NA KEGG NA NA +MJ016249 3,9-Diamino-7-ethoxyacridine C15H15N3O 253.121512 NA MeJP NA NA +MJ016250 Anantine C15H15N3O 253.121512 NA MeJP NA NA +MJ016251 Isoanantine C15H15N3O 253.121512 NA MeJP NA NA +MJ016252 Nanterinone C15H15N3O 253.121512 NA MeJP NA NA +MJ016253 Premazepam C15H15N3O 253.121512 NA MeJP NA NA +MJ016254 1,2,3,4-Tetrahydro-5,6,7,8-tetramethoxyisoquinoline C13H19NO4 253.131408 NA MeJP NA NA +MJ016255 1,2,3,4-Tetrahydro-5,6,7-trimethoxy-2-methylisoquinoline; N-Oxide C13H19NO4 253.131408 NA MeJP NA NA +MJ016256 1,2,3,4-Tetrahydro-5-hydroxy-1-hydroxymethyl-6,7-dimethoxy-2-methylisoquinoline C13H19NO4 253.131408 NA MeJP NA NA +MJ016257 1,2,3,4-Tetrahydro-ar-hydroxy-ar-trimethoxy-2-methylisoquinoline C13H19NO4 253.131408 NA MeJP NA NA +MJ016258 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-(3-Methyl-2-butenoyl), N-oxide C13H19NO4 253.131408 NA MeJP NA NA +MJ016259 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O9-Angeloyl, N-oxide C13H19NO4 253.131408 NA MeJP NA NA +MJ016260 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-Angeloyl, N-oxide C13H19NO4 253.131408 NA MeJP NA NA +MJ016261 Antibiotic MY 336a C13H19NO4 253.131408 NA MeJP NA NA +MJ016262 Mescaline; N-Ac C13H19NO4 253.131408 NA MeJP NA NA +MJ016263 Senecicaudatinal hemiacetal C13H19NO4 253.131408 NA MeJP NA NA +MJ016264 Tuberostemospironine C13H19NO4 253.131408 NA MeJP NA NA +MJ016265 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, N,N,N-Tri-Me, Me ester C13H20NO4(+) 253.131408 NA MeJP NA NA +C10927 Irgarol 1051 C11H19N5S 253.1361 NA KEGG NA NA +MJ016266 2,3,4,5-Tetrahydro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol C17H19NO 253.146664 NA MeJP NA NA +MJ016267 N-2-Phenylethylcinnamamide; 2,3-Dihydro C17H19NO 253.146664 NA MeJP NA NA +MJ016268 Cyclo(arginylprolyl) C11H19N5O2 253.153874 NA MeJP NA NA +MJ016269 Anabasamine C16H19N3 253.157897 NA MeJP NA NA +MJ016270 Aptazapine C16H19N3 253.157897 NA MeJP NA NA +C11207 Fenapanil C16H19N3 253.1579 NA KEGG NA NA +MJ016271 5-Oxo-2-pyrrolidinecarboxylic acid, 3,3,5-Trimethylcyclohexyl ester C14H23NO3 253.167793 NA MeJP NA NA +MJ016272 ?-[(Dimethylamino)methyl]-3-methoxy-2-(1-methylethoxy)benzenemethanol C14H23NO3 253.167793 NA MeJP NA NA +MJ016273 Arnolol C14H23NO3 253.167793 NA MeJP NA NA +MJ016274 3,5-Bis(3-methyl-2-butenyl)-1H-indole C18H23N 253.183049 NA MeJP NA NA +MJ016275 3,6-Bis(3-methyl-2-butenyl)-1H-indole C18H23N 253.183049 NA MeJP NA NA +MJ016276 3,7-Diprenylindole C18H23N 253.183049 NA MeJP NA NA +MJ016277 Herbindole C C18H23N 253.183049 NA MeJP NA NA +MJ016278 Tolpropamine C18H23N 253.183049 NA MeJP NA NA +MJ016279 Meladrazine C11H23N7 253.201493 NA MeJP NA NA +MJ016280 Dendrobates Alkaloid 237A; 7-Hydroxy C15H27NO2 253.204179 NA MeJP NA NA +MJ016281 Dendrobates Alkaloid 253D C15H27NO2 253.204179 NA MeJP NA NA +MJ016282 Lupinine, 2-Methylbutanoyl C15H27NO2 253.204179 NA MeJP NA NA +MJ016283 Mantella Alkaloid 253B C16H31NO 253.240564 NA MeJP NA NA +MJ016284 2,5-Dialkylpyrrolidines; 2-Ethyl-5-undecylpyrrolidine C17H35N 253.27695 NA MeJP NA NA +MJ016285 2-Methyl-6-undecylpiperidine C17H35N 253.27695 NA MeJP NA NA +C16782 (-)-Solenopsin A C17H35N 253.277 NA KEGG NA NA +7945 Antioxidative peptide YYY 253.5945 MH2+ Inhouse_peptide NA peptide +3343 ACE inhibitor ALPHA 253.634 MH2+ Inhouse_peptide NA peptide +MJ016286 Bromochloroiodomethane CHBrClI 253.799483 NA MeJP NA NA +C01382 Iodine I2 253.8089 NA KEGG NA NA +HMDB00675 Iodine I2 253.808929 NA HMDB2010 NA NA +MetaCyc02283 I2 [iodine;] I2 253.808936 NA metacyc NA NA +HMDB00675 Iodine I2 253.80894 http://www.hmdb.ca/metabolites/HMDB00675 PFEM_hmdb_metabocards_urine NA urine +HMDB00675 Iodine I2 253.80894 http://www.hmdb.ca/metabolites/HMDB00675 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00675 Iodine I2 253.80894 http://www.hmdb.ca/metabolites/HMDB00675 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00675 Iodine I2 253.80894 http://www.hmdb.ca/metabolites/HMDB00675 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00675 Iodine I2 253.80894 http://www.hmdb.ca/metabolites/HMDB00675 HMDB NA NA +HMDB00675 Iodine I2 253.80894 http://www.hmdb.ca/metabolites/HMDB00675 PFEM_hmdb_metabocards_blood NA blood +HMDB00675 Iodine I2 253.80894 HMDB00675 PFEM_hmdb_metabocards_official NA NA +MJ016287 2,3-Dihydro-5-iodo-2-thioxo-4(1H)-pyrimidinone C4H3IN2OS 253.901076 NA MeJP NA NA +C07100 2,4,5-Trichlorophenoxyacetic acid C8H5Cl3O3 253.9304 NA KEGG NA NA +MJ016288 2,4,5-Trichlorophenoxyacetic acid C8H5Cl3O3 253.930427 NA MeJP NA NA +MJ016289 Hexahydroxy-1,4-naphthoquinone C10H6O8 254.006267 NA MeJP NA NA +MJ016290 Nifurthiazole C8H6N4O4S 254.010975 NA MeJP NA NA +CJneg0470 Gluconic acid (and isomers) [(M-H)+(NaCl)]- C6H11ClNaO7 254.017525 C18rt(min)=0.88 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0470 Gluconic acid (and isomers) [(M-H)+(NaCl)]- C6H11ClNaO7 254.017525 C18rt(min)=0.88 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ016291 Shikimate 3-phosphate C7H11O8P 254.019153 NA MeJP NA NA +MetaCyc02284 shikimate-3-phosphate [shikimate-5-phosphate;shikimate-5-P;3-phosphoshikimate;5-phosphoshikimate;shikimate-3-P;] C7H11O8P1 254.019154 NA metacyc NA NA +C03175 Shikimate 3-phosphate C7H11O8P 254.0192 NA KEGG NA NA +MJ016292 Losigamone C12H11ClO4 254.034586 NA MeJP NA NA +MJ016293 Djenkolic acid C7H14N2O4S2 254.039498 NA MeJP NA NA +MJ016294 Homocysteine-cysteine disulfide C7H14N2O4S2 254.039498 NA MeJP NA NA +MetaCyc02285 djenkolate [djenkolic acid;L-cysteine thioacetal of formaldehyde;L-djenkolate;L-djenkolic acid;β,β'-methylenedithiodialanine;3,3'-methylenedithiobis(2-aminopropanoic acid);alanine, 3,3'-(methylenedithio)di-;] C7H14N2O4S2 254.039498 NA metacyc NA NA +C08275 L-Djenkolic acid C7H14N2O4S2 254.0395 NA KEGG NA NA +MJ016295 Islandic acid II; 1''-Aldehyde C11H10O7 254.042652 NA MeJP NA NA +MJ016296 Tartaric acid, Monobenzoyl C11H10O7 254.042652 NA MeJP NA NA +MJ016297 1,3-Benzenedicarbothioic acid; S,S-Di-Et ester C12H14O2S2 254.043521 NA MeJP NA NA +HMDB04195 5-L-Glutamyl-taurine C7H14N2O6S 254.057251 NA HMDB2010 NA NA +MJ016298 N-(2-Sulfoethyl)glutamine C7H14N2O6S 254.057256 NA MeJP NA NA +MJ016299 5-Glutamyl-taurine C7H14N2O6S 254.057256 NA MeJP NA NA +C05844 5-L-Glutamyl-taurine C7H14N2O6S 254.0573 NA KEGG NA NA +JH173 Daidzein [M+H]+ C15H10O4 254.0574 16.45 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH173 Daidzein [M+H]+ C15H10O4 254.0574 16.45 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH173 Daidzein [M+H]+ C15H10O4 254.0574 16.45 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH173 Daidzein [M+H]+ C15H10O4 254.0574 16.45 Inhousejuil11 NA NA +C08644 Hispidol C15H10O4 254.0579 NA KEGG NA NA +C10028 Chrysin C15H10O4 254.0579 NA KEGG NA NA +C10121 Primetin C15H10O4 254.0579 NA KEGG NA NA +C10200 Anhydroglycinol C15H10O4 254.0579 NA KEGG NA NA +C10208 Daidzein C15H10O4 254.0579 NA KEGG NA NA +C10291 Alizarin 2-methyl ether C15H10O4 254.0579 NA KEGG NA NA +C10315 Chrysophanol C15H10O4 254.0579 NA KEGG NA NA +C10327 Digiferrugineol C15H10O4 254.0579 NA KEGG NA NA +C10329 1,4-Dihydroxy-2-methylanthraquinone C15H10O4 254.0579 NA KEGG NA NA +C10402 Rubiadin C15H10O4 254.0579 NA KEGG NA NA +C12123 7,4'-Dihydroxyflavone C15H10O4 254.0579 NA KEGG NA NA +C14344 4',6-Dihydroxyflavone C15H10O4 254.0579 NA KEGG NA NA +FL1A1ANS0001 Hispidol C15H10O4 254.0579 5786-54-9 knapsack NA NA +FL3F1ANS0001 7,4'-Dihydroxyflavone C15H10O4 254.0579 2196-14-7 knapsack NA NA +FL3F98NS0002 5,2'-Dihydroxyflavone C15H10O4 254.0579 6674-39-1 knapsack NA NA +FL3F98NS0004 8,2'-Dihydroxyflavone C15H10O4 254.0579 115713-41-2 knapsack NA NA +FL3F98NS0005 2',5'-Dihydroxyflavone C15H10O4 254.0579 92439-19-5 knapsack NA NA +FL3F99NS0002 Primetin C15H10O4 254.0579 548-58-3 knapsack NA NA +FL3FA9NS0002 Chrysin;5,7-Dihydroxyflavone;5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one C15H10O4 254.0579 480-40-0 knapsack NA NA +FL5F19NS0001 3,7-Dihydroxyflavone C15H10O4 254.0579 492-00-2 knapsack NA NA +FLIA1ANS0002 Daidzein C15H10O4 254.0579 486-66-8 knapsack NA NA +FLIA9ANS0002 8,4'-Dihydroxyisoflavone C15H10O4 254.0579 118024-87-6 knapsack NA NA +FLIAA9NS0003 5,7-Dihydroxyisoflavone C15H10O4 254.0579 4044-00-2 knapsack NA NA +FLIDWXNS0001 Anhydroglycinol;3,9-Dihydroxypterocarpene C15H10O4 254.0579 67685-22-7 knapsack NA NA +FLNA29NS0004 Nordalbergin;6,7-Dihydroxy-4-phenylcoumarin C15H10O4 254.0579 482-82-6 knapsack NA NA +FLNAA9NS0001 Serratin;5,7-Dihydroxy-4-phenylcoumarin C15H10O4 254.0579 7758-73-8 knapsack NA NA +HMDB03312 Daidzein C15H10O4 254.057907 NA HMDB2010 NA NA +MJ016300 1,2-Dihydroxy-3-methylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016301 1,2-Dihydroxy-6-methylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016302 1,2-Dihydroxyanthraquinone; 1-Me ether C15H10O4 254.057908 NA MeJP NA NA +MJ016303 1,2-Dihydroxyanthraquinone; 2-Me ether C15H10O4 254.057908 NA MeJP NA NA +MJ016304 1,3-Dihydroxy-2-methylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016305 1,3-Dihydroxy-6-methylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016306 1,3-Dihydroxyanthraquinone; 1-Me ether C15H10O4 254.057908 NA MeJP NA NA +MJ016307 1,3-Dihydroxyanthraquinone; 3-Me ether C15H10O4 254.057908 NA MeJP NA NA +MJ016308 1,4-Dihydroxy-2-methylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016309 1,4-Dihydroxy-5-methylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016310 1,4-Dihydroxy-6-methylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016311 1,5-Dihydroxy-2-methylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016312 1,5-Dihydroxy-3-methylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016313 1,6-Dihydroxy-2-methylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016314 1,6-Dihydroxy-3-methylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016315 1,7-Dihydroxy-3-methylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016316 1,8-Dihydroxy-2-methylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016317 1,8-Dihydroxy-3-methylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016318 1,8-Dihydroxy-4-methylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016319 1-Hydroxy-2-hydroxymethylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016320 1-Hydroxy-3-hydroxymethylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016321 1-Hydroxy-6(7)-hydroxymethylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016322 10-Hydroxy-2-hydroxymethyl-1,4-anthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016323 2',5'-Dihydroxyflavone C15H10O4 254.057908 NA MeJP NA NA +MJ016324 2',5-Dihydroxyflavone C15H10O4 254.057908 NA MeJP NA NA +MJ016325 2',8-Dihydroxyflavone C15H10O4 254.057908 NA MeJP NA NA +MJ016326 2,3-Dihydroxyanthraquinone; Mono-Me ether C15H10O4 254.057908 NA MeJP NA NA +MJ016327 2,7-Dihydroxy-1,4-phenanthraquinone; 2-Me ether C15H10O4 254.057908 NA MeJP NA NA +MJ016328 2,7-Dihydroxy-1,4-phenanthraquinone; 7-Me ether C15H10O4 254.057908 NA MeJP NA NA +MJ016329 2-Hydroxy-3-hydroxymethylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016330 3',4'-Dihydroxyflavone C15H10O4 254.057908 NA MeJP NA NA +MJ016331 3,5-Dihydroxy-1,4-phenanthraquinone; 3-Me ether C15H10O4 254.057908 NA MeJP NA NA +MJ016332 3,7-Dihydroxyflavone C15H10O4 254.057908 NA MeJP NA NA +MJ016333 3,8-Dihydroxy-1-methylanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016334 3,9-Dihydroxypterocarpene C15H10O4 254.057908 NA MeJP NA NA +MJ016335 3-(3,4-Dihydroxyphenyl)-1H-2-benzopyran-1-one C15H10O4 254.057908 NA MeJP NA NA +MJ016336 4',6-Dihydroxyaurone C15H10O4 254.057908 NA MeJP NA NA +MJ016337 4',7-Dihydroxyflavone C15H10O4 254.057908 NA MeJP NA NA +MJ016338 4',7-Dihydroxyisoflavone C15H10O4 254.057908 NA MeJP NA NA +MJ016339 4',8-Dihydroxyisoflavone C15H10O4 254.057908 NA MeJP NA NA +MJ016340 5,7-Dihydroxy-1-methylphenanthraquinone C15H10O4 254.057908 NA MeJP NA NA +MJ016341 5,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one C15H10O4 254.057908 NA MeJP NA NA +MJ016342 5,7-Dihydroxyflavone C15H10O4 254.057908 NA MeJP NA NA +MJ016343 5,7-Dihydroxyisoflavone C15H10O4 254.057908 NA MeJP NA NA +MJ016344 5,8-Dihydroxyflavone C15H10O4 254.057908 NA MeJP NA NA +MJ016345 6,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one C15H10O4 254.057908 NA MeJP NA NA +MJ016346 6-Hydroxy-3-(4-hydroxybenzylidene)-2(3H)-benzofuranone C15H10O4 254.057908 NA MeJP NA NA +MJ016347 8,9-Dihydro-4H-naphtho[1,2-c:4,5-cd]dipyran-4,11(6H)-dione C15H10O4 254.057908 NA MeJP NA NA +MJ016348 8-Hydroxy-2-isopropenylnaphtho[2,3-b]furan-4,9-quinone C15H10O4 254.057908 NA MeJP NA NA +MJ016349 Flavidin; 5-Oxo C15H10O4 254.057908 NA MeJP NA NA +MJ016350 Marginalin C15H10O4 254.057908 NA MeJP NA NA +MJ016351 4',5,7-Trihydroxyflavylium(1+) C15H11O4(+) 254.057908 NA MeJP NA NA +MJ016352 4',6,7-Trihydroxyflavylium(1+) C15H11O4(+) 254.057908 NA MeJP NA NA +MetaCyc02286 daidzein [7,4'-dihydroxyisoflavone;] C15H10O4 254.057909 NA metacyc NA NA +HMDB03312 Daidzein C15H10O4 254.05791 http://www.hmdb.ca/metabolites/HMDB03312 PFEM_hmdb_metabocards_urine NA urine +HMDB03312 Daidzein C15H10O4 254.05791 http://www.hmdb.ca/metabolites/HMDB03312 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03312 Daidzein C15H10O4 254.05791 http://www.hmdb.ca/metabolites/HMDB03312 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB03312 Daidzein C15H10O4 254.05791 http://www.hmdb.ca/metabolites/HMDB03312 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB03312 Daidzein C15H10O4 254.05791 http://www.hmdb.ca/metabolites/HMDB03312 HMDB NA NA +HMDB03312 Daidzein C15H10O4 254.05791 http://www.hmdb.ca/metabolites/HMDB03312 PFEM_hmdb_metabocards_blood NA blood +HMDB03312 Daidzein C15H10O4 254.05791 HMDB03312 PFEM_hmdb_metabocards_official NA NA +MJ016353 1-Acetyl-?-carboline-3-carboxylic acid C14H10N2O3 254.069142 NA MeJP NA NA +MJ016354 2-Amino-3H-phenoxazin-3-one; N-Ac C14H10N2O3 254.069142 NA MeJP NA NA +MJ016355 3-Chloro-4,6-dihydroxy-2-methyl-5-prenylbenzaldehyde C13H15ClO3 254.070972 NA MeJP NA NA +C17237 S-(Phenylacetothiohydroximoyl)-L-cysteine C11H14N2O3S 254.0725 NA KEGG NA NA +MJ016356 Sulfadicramide C11H14N2O3S 254.072513 NA MeJP NA NA +C05945 L-Arginine phosphate C6H15N4O5P 254.078 NA KEGG NA NA +MJ016357 Phosphoarginine C6H15N4O5P 254.078006 NA MeJP NA NA +MetaCyc02287 N-Phospho-L-arginine [L-arginine phosphate;phospho-L-arginine;L-arginine-phosphate;L-arginine-P;arg-P;phosphoarginine;arginine-phosphate;arginine-P;] C6H15N4O5P1 254.078006 1189-11-3 metacyc NA NA +MJ016358 1-O-Coumaroylglycerol, 3'-Hydroxy C12H14O6 254.079038 NA MeJP NA NA +MJ016359 3,4-Dihydro-4,8-dihydroxy-6,7-dimethoxy-3-methyl-1H-2-benzopyran-1-one C12H14O6 254.079038 NA MeJP NA NA +MJ016360 4,5-Dihydroxy-1,2-benzenedicarboxylic acid; Di-Me ether, di-Me ester C12H14O6 254.079038 NA MeJP NA NA +MJ016361 Cyclopolic acid; Me ether C12H14O6 254.079038 NA MeJP NA NA +MJ016362 Radicinol; 3,4-Diepimer, 1'?,2'?-epoxide C12H14O6 254.079038 NA MeJP NA NA +MJ016363 Riburonic acid; ?-D-Furanose-form, Benzyl glycoside C12H14O6 254.079038 NA MeJP NA NA +MJ016364 Sporovexin B C12H14O6 254.079038 NA MeJP NA NA +MJ016365 2-Amino-1-(4-nitrophenyl)-1,3-propanediol, N-Ac C11H14N2O5 254.090271 NA MeJP NA NA +MJ016366 Agaridoxin C11H14N2O5 254.090271 NA MeJP NA NA +C16582 2-Hydroxyfelbamate C11H14N2O5 254.0903 NA KEGG NA NA +C16584 p-Hydroxyfelbamate C11H14N2O5 254.0903 NA KEGG NA NA +MJ016367 1,4-Bis(2-isothiocyanatoethyl)cyclohexane C12H18N2S2 254.091139 NA MeJP NA NA +FL1C19NS0002 4'-Hydroxy-2'-methoxychalcone C16H14O3 254.09429 69470-84-4 knapsack NA NA +FL2F19NS0002 7-Methoxyflavanone C16H14O3 254.09429 72984-48-6 knapsack NA NA +FLII9CNM0001 Parvifuran;5-Hydroxy-6-methoxy-3-methyl-2-phenylbenzofuran C16H14O3 254.09429 69470-93-5 knapsack NA NA +FLND29NS0001 (R)-4-Methoxydalbergione C16H14O3 254.09429 4646-86-0 knapsack NA NA +FLND29NS0002 (S)-4-Methoxydalbergione C16H14O3 254.09429 2543-95-5 knapsack NA NA +FLNE29NS0001 Dalbergichromene;6-Hydroxy-7-methoxyneoflavene C16H14O3 254.09429 32066-31-2 knapsack NA NA +MJ016368 1-(3,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene; 3,4-Methylenedioxy, 4'-Me ether C16H14O3 254.094294 NA MeJP NA NA +MJ016369 2',4'-Dihydroxychalcone; 2'-Me ether C16H14O3 254.094294 NA MeJP NA NA +MJ016370 2,3,5-Phenanthrenetriol; 2,5-Di-Me ether C16H14O3 254.094294 NA MeJP NA NA +MJ016371 2,3,5-Phenanthrenetriol; 3,5-Di-Me ether C16H14O3 254.094294 NA MeJP NA NA +MJ016372 2,3,6-Phenanthrenetriol; 3,6-Di-Me ether C16H14O3 254.094294 NA MeJP NA NA +MJ016373 2,3,7-Phenanthrenetriol; 2,3-Di-Me ether C16H14O3 254.094294 NA MeJP NA NA +MJ016374 2,3,7-Phenanthrenetriol; 3,7-Di-Me ether C16H14O3 254.094294 NA MeJP NA NA +MJ016375 2,4,6-Phenanthrenetriol; 2,6-Di-Me ether C16H14O3 254.094294 NA MeJP NA NA +MJ016376 2-(4-Hydroxyphenyl)-3-methyl-5-benzofuranmethanol C16H14O3 254.094294 NA MeJP NA NA +MJ016377 2-Acetyl-3-hydroxy-6,9-dimethyldibenzofuran C16H14O3 254.094294 NA MeJP NA NA +MJ016378 3,4,6-Phenanthrenetriol; 3,6-Di-Me ether C16H14O3 254.094294 NA MeJP NA NA +MJ016379 3-(2-Hydroxyphenyl)-2-phenylpropenoic acid, Me ether C16H14O3 254.094294 NA MeJP NA NA +MJ016380 3-(4-Hydroxyphenyl)-2-propenoic acid, Benzyl ester C16H14O3 254.094294 NA MeJP NA NA +MJ016381 4-(4-Biphenylyl)-4-oxobutanoic acid C16H14O3 254.094294 NA MeJP NA NA +MJ016382 4-Hydroxybenzaldehyde; O-(3-Phenylpropanoyl) C16H14O3 254.094294 NA MeJP NA NA +MJ016383 4-Methoxydalbergione C16H14O3 254.094294 NA MeJP NA NA +MJ016384 5-(4-Hydroxyphenyl)-2,4-pentadienoic acid C16H14O3 254.094294 NA MeJP NA NA +MJ016385 5-Hydroxy-6-methoxy-2-methyl-3-phenylbenzofuran C16H14O3 254.094294 NA MeJP NA NA +MJ016386 5-Hydroxy-6-methoxy-3-methyl-2-phenylbenzofuran C16H14O3 254.094294 NA MeJP NA NA +MJ016387 6-Hydroxy-2-(4-hydroxybenzyl)benzofuran; 6-Me ether C16H14O3 254.094294 NA MeJP NA NA +MJ016388 6-Methyldehydro-?-lapachone C16H14O3 254.094294 NA MeJP NA NA +MJ016389 7-(3-Hydroxyphenyl)-2-heptene-4,6-diyn-1-ol, 3-Me ether, 1-Ac C16H14O3 254.094294 NA MeJP NA NA +MJ016390 7-Hydroxyflavanone, Me ether C16H14O3 254.094294 NA MeJP NA NA +MJ016391 7-Methoxy-4-phenyl-2H-1-benzopyran-6-ol C16H14O3 254.094294 NA MeJP NA NA +MJ016392 Chalepensin C16H14O3 254.094294 NA MeJP NA NA +MJ016393 Clausindine C16H14O3 254.094294 NA MeJP NA NA +MJ016394 Decurrenal C16H14O3 254.094294 NA MeJP NA NA +MJ016395 Flavidin; 2-Me ether C16H14O3 254.094294 NA MeJP NA NA +MJ016396 Isomaturinin C16H14O3 254.094294 NA MeJP NA NA +MJ016397 Ketoprofen C16H14O3 254.094294 NA MeJP NA NA +MJ016398 Magnaldehyde D C16H14O3 254.094294 NA MeJP NA NA +MJ016399 Maturin; 13-Deoxy C16H14O3 254.094294 NA MeJP NA NA +MJ016400 Obtusaquinone C16H14O3 254.094294 NA MeJP NA NA +MJ016401 Onognaphalin C16H14O3 254.094294 NA MeJP NA NA +MJ016402 Rhizonone C16H14O3 254.094294 NA MeJP NA NA +MJ016403 Swietenocoumarin A C16H14O3 254.094294 NA MeJP NA NA +MJ016404 izonone C16H14O3 254.094294 NA MeJP NA NA +C01716 Ketoprofen C16H14O3 254.0943 NA KEGG NA NA +C09165 Chalepensin C16H14O3 254.0943 NA KEGG NA NA +C10505 (R)-4-Methoxydalbergione C16H14O3 254.0943 NA KEGG NA NA +MJ016405 1-O-?-D-Galactofuranosyl-D-glycerol C9H18O8 254.100167 NA MeJP NA NA +MJ016406 1-O-Galactopyranosylglycerol C9H18O8 254.100167 NA MeJP NA NA +MJ016407 1-O-Glucopyranosylglycerol C9H18O8 254.100167 NA MeJP NA NA +MJ016408 2-O-?-D-Galactopyranosylglycerol C9H18O8 254.100167 NA MeJP NA NA +MJ016409 Calditol C9H18O8 254.100167 NA MeJP NA NA +MJ016410 Lilioside B C9H18O8 254.100167 NA MeJP NA NA +MJ016411 Galactosylglycerol C9H18O8 254.100167 NA MeJP NA NA +MetaCyc02288 3-β-D-galactosyl-sn-glycerol [2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5- triol;] C9H18O8 254.100168 NA metacyc NA NA +MetaCyc02289 2-(β-D-glucosyl)-sn-glycerol [] C9H18O8 254.100168 NA metacyc NA NA +HMDB06790 Galactosylglycerol C9H18O8 254.10017 http://www.hmdb.ca/metabolites/HMDB06790 HMDB NA NA +HMDB06864 3-beta-D-Galactosyl-sn-glycerol C9H18O8 254.10017 http://www.hmdb.ca/metabolites/HMDB06864 HMDB NA NA +HMDB06790 Galactosylglycerol C9H18O8 254.10017 HMDB06790 PFEM_hmdb_metabocards_official NA NA +HMDB06864 3-beta-D-Galactosyl-sn-glycerol C9H18O8 254.10017 HMDB06864 PFEM_hmdb_metabocards_official NA NA +HMDB06790 Galactosylglycerol C9H18O8 254.100174 NA HMDB2010 NA NA +C05401 3-beta-D-Galactosyl-sn-glycerol C9H18O8 254.1002 NA KEGG NA NA +C11546 2-(beta-D-Glucosyl)-sn-glycerol C9H18O8 254.1002 NA KEGG NA NA +C11547 3-(Acyloxy)acyl group of bacterial toxin C54H89N2O25P2R7 254.1002 NA KEGG NA NA +C11548 3-Hydroxyacyl group of bacterial toxin C52H91N2O23P2R5 254.1002 NA KEGG NA NA +C11549 Poly[(R)-3-hydroxyoctanoate]n C52H91N2O23P2R5 254.1002 NA KEGG NA NA +C11550 Poly[(R)-3-hydroxyoctanoate]x C52H91N2O23P2R5 254.1002 NA KEGG NA NA +C11551 Poly[(R)-3-hydroxybutanoate]n-x C52H91N2O23P2R5 254.1002 NA KEGG NA NA +C11552 Poly[(R)-3-hydroxybutanoate]x C52H91N2O23P2R5 254.1002 NA KEGG NA NA +C11553 [Heparan sulfate]-glucosamine 3-sulfate C6H12NO8S 254.1002 NA KEGG NA NA +C11554 1-Phosphatidyl-1D-myo-inositol 3,4-bisphosphate C11H19O19P3R2 254.1002 NA KEGG NA NA +C07819 Dyphylline C10H14N4O4 254.1015 NA KEGG NA NA +C07821 Transferred to D00693 C10H14N4O4 254.1015 NA KEGG NA NA +C07822 Transferred to D00694 C10H14N4O4 254.1015 NA KEGG NA NA +C07823 Transferred to D00695 C10H14N4O4 254.1015 NA KEGG NA NA +C07824 Transferred to D00696 C10H14N4O4 254.1015 NA KEGG NA NA +MJ016412 Diprophylline C10H14N4O4 254.101504 NA MeJP NA NA +C07493 10-Hydroxycarbazepine C15H14N2O2 254.1055 NA KEGG NA NA +MJ016413 1-Methyl-?-carboline-3-carboxylic acid; Et ester C15H14N2O2 254.105527 NA MeJP NA NA +MJ016414 4,7-Dimethoxy-1-vinyl-?-carboline C15H14N2O2 254.105527 NA MeJP NA NA +MJ016415 4,8-Dihydroxy-1-vinyl-?-carboline; Di-Me ether C15H14N2O2 254.105527 NA MeJP NA NA +MJ016416 4,9-Dimethoxy-1-vinyl-?-carboline C15H14N2O2 254.105527 NA MeJP NA NA +MJ016417 5,6-Dihydro-3-[2-(1H-indol-3-yl)-2-oxoethyl]-2(1H)-pyridinone C15H14N2O2 254.105527 NA MeJP NA NA +MJ016418 ?-Carboline-1-propanoic acid; Me ester C15H14N2O2 254.105527 NA MeJP NA NA +MJ016419 Homofluorodaturatin C15H14N2O2 254.105527 NA MeJP NA NA +MJ016420 Licarbazepine C15H14N2O2 254.105527 NA MeJP NA NA +MJ016421 Nepafenac C15H14N2O2 254.105527 NA MeJP NA NA +MJ016422 Oxopropaline D, 2'-Deoxy C15H14N2O2 254.105527 NA MeJP NA NA +MJ016423 Rugulovasine A, 5-Epimer, N-de-Me C15H14N2O2 254.105527 NA MeJP NA NA +MJ016424 Rugulovasine A, N-De-Me C15H14N2O2 254.105527 NA MeJP NA NA +MJ016425 Thiamylal C12H18N2O2S 254.108898 NA MeJP NA NA +C07846 Thiamylal C12H18N2O2S 254.1089 NA KEGG NA NA +C07847 Transferred to D00713 C12H18N2O2S 254.1089 NA KEGG NA NA +C07848 Transferred to D00714 C12H18N2O2S 254.1089 NA KEGG NA NA +MJ016426 3,4-Dihydro-3,4,6,7-tetrahydroxy-2,2-dimethyl-2H-1-benzopyran, 6,7-Di-Me ether C13H18O5 254.115423 NA MeJP NA NA +MJ016427 3-(2,3,4,5-Tetrahydroxyphenyl)-2-propen-1-ol, Tetra-Me ether C13H18O5 254.115423 NA MeJP NA NA +MJ016428 3-Carboxy-5-pentyl-2-furanpropanoic acid C13H18O5 254.115423 NA MeJP NA NA +MJ016429 4-Hydroxy-3-(3-methyl-2-butenyl)benzoic acid; 2',3'-Dihydro, 2',3'-dihydroxy, Me ester C13H18O5 254.115423 NA MeJP NA NA +MJ016430 5-Deoxy-3-C-hydroxymethyllyxose; ?-L-Furanose-form, Benzyl glycoside C13H18O5 254.115423 NA MeJP NA NA +MJ016431 Antibiotic WAP 4068A; Antibiotic WAP 4068A2 C13H18O5 254.115423 NA MeJP NA NA +MJ016432 Phomalone C13H18O5 254.115423 NA MeJP NA NA +MJ016433 Aplysinopsin C14H14N4O 254.116761 NA MeJP NA NA +MJ016434 Butanilicaine C13H19ClN2O 254.11859 NA MeJP NA NA +PARAC004 3-Deoxyestrone C18H22O 254.1208 RT11.5 PFEM_hmdb_metabocards_urine NA urine +PARAC004 3-Deoxyestrone C18H22O 254.1208 RT11.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC004 3-Deoxyestrone C18H22O 254.1208 RT11.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC004 3-Deoxyestrone C18H22O 254.1208 RT11.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC004 3-Deoxyestrone C18H22O 254.1208 RT11.5 HMDB NA NA +PARAC004 3-Deoxyestrone C18H22O 254.1208 RT11.5 Inhouse_PFEM NA NA +PARAC004 3-Deoxyestrone C18H22O 254.1208 RT11.5 PFEM_hmdb_metabocards_blood NA blood +PARAC004 3-Deoxyestrone C18H22O 254.1208 RT11.5 PFEM_hmdb_metabocards_official NA NA +MJ016435 Furosine C12H18N2O4 254.126657 NA MeJP NA NA +MJ016436 Midodrine C12H18N2O4 254.126657 NA MeJP NA NA +MJ016437 Pyridosine C12H18N2O4 254.126657 NA MeJP NA NA +MJ016438 ?,?'-Diamino-2-methylenecycloheptene-1,3-diacetic acid C12H18N2O4 254.126657 NA MeJP NA NA +C07890 Midodrine C12H18N2O4 254.1267 NA KEGG NA NA +C07891 Transferred to D00738 C12H18N2O4 254.1267 NA KEGG NA NA +MJ016439 3,5-Dihydroxy-4-isopropylstilbene C17H18O2 254.130679 NA MeJP NA NA +MJ016440 5,7-Pentadecadiene-9,11,13-triyn-1-ol; Ac C17H18O2 254.130679 NA MeJP NA NA +MJ016441 6,7-Dihydroxy-1,2-dimethylphenanthrene; 9,10-Dihydro, 7-Me ether C17H18O2 254.130679 NA MeJP NA NA +MJ016442 6,8-Hexadecadiene-10,12,14-triynoic acid, Me ester C17H18O2 254.130679 NA MeJP NA NA +MJ016443 9,10-Dihydro-2-hydroxy-5-(hydroxymethyl)-1,7-dimethylphenanthrene C17H18O2 254.130679 NA MeJP NA NA +MJ016444 Cannabiorcol C17H18O2 254.130679 NA MeJP NA NA +HMDB05767 Homoanserine C11H18N4O3 254.13789 http://www.hmdb.ca/metabolites/HMDB05767 HMDB NA NA +MJ016445 Homoanserine C11H18N4O3 254.13789 NA MeJP NA NA +MJ016446 Imuracetam C11H18N4O3 254.13789 NA MeJP NA NA +MJ016447 Pimonidazole C11H18N4O3 254.13789 NA MeJP NA NA +HMDB05767 Homoanserine C11H18N4O3 254.13789 HMDB05767 PFEM_hmdb_metabocards_official NA NA +HMDB05767 Homoanserine C11H18N4O3 254.137894 NA HMDB2010 NA NA +PJ000104 VH C11H18N4O3 254.1379 NA PeJP NA NA +C06068 Elymoclavine C16H18N2O 254.1419 NA KEGG NA NA +C07616 Amphenone B C16H18N2O 254.1419 NA KEGG NA NA +MJ016448 Elymoclavine C16H18N2O 254.141913 NA MeJP NA NA +MJ016449 Agroclavine, 10-Epimer, 8?,9?-epoxide C16H18N2O 254.141913 NA MeJP NA NA +MJ016450 Dasycarpidone, De-N-Me C16H18N2O 254.141913 NA MeJP NA NA +MJ016451 Doisuthine; Namide-De-Me C16H18N2O 254.141913 NA MeJP NA NA +MJ016452 Elymoclavine C16H18N2O 254.141913 NA MeJP NA NA +MJ016453 Erymelanthine; De(methoxycarbonyl) C16H18N2O 254.141913 NA MeJP NA NA +MJ016454 Isosetoclavine C16H18N2O 254.141913 NA MeJP NA NA +MJ016455 Lysergol C16H18N2O 254.141913 NA MeJP NA NA +MJ016456 Paricine C16H18N2O 254.141913 NA MeJP NA NA +MJ016457 Setoclavine C16H18N2O 254.141913 NA MeJP NA NA +MJ016458 10-Bromo-2-chloro-2,7(14)-chamigradien-9-ol; Debromo C15H23ClO 254.143743 NA MeJP NA NA +MJ016459 7-Chloro-3,9,12-pentadecatrien-1-yn-6-ol, 12,13-Dihydro C15H23ClO 254.143743 NA MeJP NA NA +CJpos0639 Decenoylcarnitine isomer [(M+H)-(NC3H9)]+ C14H23N0O4 254.151275 C18rt(min)=8.17 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0639 Decenoylcarnitine isomer [(M+H)-(NC3H9)]+ C14H23N0O4 254.151275 C18rt(min)=8.17 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ016460 2,5,5-Trimethyl-2,6-heptadiene-1,4-diol; Di-Ac C14H22O4 254.151809 NA MeJP NA NA +MJ016461 2,5-Dihydro-5-oxo-2-furanoctanoic acid, Et ester C14H22O4 254.151809 NA MeJP NA NA +MJ016462 2,6-Dimethyl-2,6-octadiene-1,8-diol, Di-Ac C14H22O4 254.151809 NA MeJP NA NA +MJ016463 2-(4-Hydroxy-2-pentenyl)-3-oxo-1-cyclopentanebutanoic acid C14H22O4 254.151809 NA MeJP NA NA +MJ016464 2-(Acetoxymethyl)-1-(2-acetoxy-1-methylethenyl)-3-methylcyclopentane C14H22O4 254.151809 NA MeJP NA NA +MJ016465 3,7-Dimethyl-2,6-octadiene-1,4-diol; Enantiomer, di-Ac C14H22O4 254.151809 NA MeJP NA NA +MJ016466 6,13-Dihydroxy-2,4,8-tetradecatrienoic acid C14H22O4 254.151809 NA MeJP NA NA +MJ016467 Eupenoxide C14H22O4 254.151809 NA MeJP NA NA +MJ016468 Gliocladic acid C14H22O4 254.151809 NA MeJP NA NA +MJ016469 Palitantin C14H22O4 254.151809 NA MeJP NA NA +MJ016470 Pathylactone A C14H22O4 254.151809 NA MeJP NA NA +MJ016471 8,10,16-Octadecatriene-12,14-diynal C18H22O 254.167065 NA MeJP NA NA +MJ016472 Enzacamene C18H22O 254.167065 NA MeJP NA NA +MJ016473 Estra-1,3,5(10),16-tetraen-3-ol C18H22O 254.167065 NA MeJP NA NA +C14972 3-Deoxyestrone C18H22O 254.1671 NA KEGG NA NA +C15082 4-(1-Ethyl-2-phenylbutyl)phenol C18H22O 254.1671 NA KEGG NA NA +EUR380 Aldosterone F7 F7 254.168575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR380 Aldosterone F7 NA 254.168575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR380 Aldosterone F7 F7 254.168575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR380 Aldosterone F7 NA 254.168575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR380 Aldosterone F7 F7 254.168575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR380 Aldosterone F7 NA 254.168575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR380 Aldosterone F7 F7 254.168575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR380 Aldostérone F7 F7 254.168575 standards wishlist analysés sur QTOF HMDB NA NA +EUR380 Aldosterone F7 F7 254.168575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR380 Aldosterone F7 NA 254.168575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR380 Aldosterone F7 F7 254.168575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR380 Aldosterone F7 F7 254.168575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR385 Oestradiol F2 F2 254.168875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR385 Oestradiol F2 NA 254.168875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR385 Oestradiol F2 F2 254.168875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR385 Oestradiol F2 NA 254.168875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR385 Oestradiol F2 F2 254.168875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR385 Oestradiol F2 NA 254.168875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR385 Oestradiol F2 F2 254.168875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR385 Oestradiol F2 F2 254.168875 standards wishlist analysés sur QTOF HMDB NA NA +EUR385 Oestradiol F2 F2 254.168875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR385 Oestradiol F2 NA 254.168875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR385 Oestradiol F2 F2 254.168875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR385 Oestradiol F2 F2 254.168875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ016474 9-Amino-1,2,3,4-tetrahydroacridine; N-Butyl C17H22N2 254.178298 NA MeJP NA NA +MJ016475 Aurantioclavine, N5-Et C17H22N2 254.178298 NA MeJP NA NA +MJ016476 Metrafazoline C17H22N2 254.178298 NA MeJP NA NA +C14135 4,4'-Methylenebis(N,N-dimethylaniline) C17H22N2 254.1783 NA KEGG NA NA +MJ016477 1(10),4(15)-Germacradiene-2,5,6-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016478 1(10),4(15)-Germacradiene-5,6,14-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016479 1(10),4-Germacradien-6-ol, 1?,10?:4?,5?-Diepoxide C15H26O3 254.188194 NA MeJP NA NA +MJ016480 1(10),4-Germacradiene-2,6,12-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016481 1(10),4-Germacradiene-2,6-diol, 4?,5?-Epoxide C15H26O3 254.188194 NA MeJP NA NA +MJ016482 1(10),4-Germacradiene-6,9-diol, 4?,5?-Epoxide C15H26O3 254.188194 NA MeJP NA NA +MJ016483 1(10)-Eremophilene-2,8,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016484 1,4,11-Eudesmanetriol, 1-Ketone C15H26O3 254.188194 NA MeJP NA NA +MJ016485 1,4-Epoxy-2-hydroxy-7-isopropyl-4-methyl-5-undecen-10-one C15H26O3 254.188194 NA MeJP NA NA +MJ016486 1,6,10-Farnesatriene-3,5,9-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016487 1,6,11-Farnesatriene-3,5,10-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016488 1,6,9-Farnesatriene-3,5,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016489 1,7(14),9-Farnesatriene-3,6,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016490 10(14)-Cadinene-3,8,9-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016491 10,11-Epoxy-2,8-guaianediol C15H26O3 254.188194 NA MeJP NA NA +MJ016492 10-Hydroperoxy-1,11-bisaboladien-3-ol C15H26O3 254.188194 NA MeJP NA NA +MJ016493 11-Eremophilene-2,8,9-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016494 11-Eremophilene-3,8,9-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016495 11-Hydroperoxy-1,9-bisaboladien-3-ol C15H26O3 254.188194 NA MeJP NA NA +MJ016496 2,10-Bisaboladiene-1,6,7-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016497 2,11-Bisaboladiene-7,10-diol; 10-Hydroperoxide C15H26O3 254.188194 NA MeJP NA NA +MJ016498 2,3,10-Aromadendranetriol C15H26O3 254.188194 NA MeJP NA NA +MJ016499 2,4,11-Eudesmanetriol, 2-Ketone C15H26O3 254.188194 NA MeJP NA NA +MJ016500 2,6,10-Farnesatriene-1,12,14-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016501 2,7-Bisaboladiene-9,10,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016502 2,8-Bisaboladiene-7,10,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016503 2,9-Bisaboladiene-7,11-diol; 11-Hydroperoxide C15H26O3 254.188194 NA MeJP NA NA +MJ016504 3,10-Dihydroxy-4-oplopanone C15H26O3 254.188194 NA MeJP NA NA +MJ016505 3,11-Dihydroxy-1,9-farnesadien-8-one C15H26O3 254.188194 NA MeJP NA NA +MJ016506 3,11-Dihydroxy-7-drimen-6-one, 3-Deoxy, 7?,8?-epoxy, 6?-alcohol C15H26O3 254.188194 NA MeJP NA NA +MJ016507 3,15-Epoxy-6,7-caryophyllanediol C15H26O3 254.188194 NA MeJP NA NA +MJ016508 3,4-Dihydroxydihydro-?-agarofuran C15H26O3 254.188194 NA MeJP NA NA +MJ016509 3,4-Dihydroxypallenone C15H26O3 254.188194 NA MeJP NA NA +MJ016510 4(15),10(14)-Germacradiene-3,9,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016511 4(15)-Eudesmene-1,3,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016512 4(15)-Eudesmene-1,5,6-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016513 4(15)-Eudesmene-1,6,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016514 4(15)-Eudesmene-11,12-diol, 4?,15?-Epoxide C15H26O3 254.188194 NA MeJP NA NA +MJ016515 4(15)-Eudesmene-2,3,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016516 4(15)-Eudesmene-3,6,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016517 4(15)-Eudesmene-3,7,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016518 4(15)-Eudesmene-5,11,12-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016519 4(15)-Eudesmene-5,8,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016520 4,10(14)-Germacradiene-1,6,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016521 4,5-Epoxy-10(14)-germacrene-1,6-diol C15H26O3 254.188194 NA MeJP NA NA +MJ016522 4-Eudesmene-3,6,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016523 4-Hydroxy-7-isopropyl-4-methyl-5-undecene-2,10-dione C15H26O3 254.188194 NA MeJP NA NA +MJ016524 4-Muurolene-1,10,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016525 5,10(14)-Germacradiene-1,3,4-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016526 5,10(14)-Germacradiene-1,4,8-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016527 5,7,9-Hirsutanetriol C15H26O3 254.188194 NA MeJP NA NA +MJ016528 6,10-Epoxy-4,9-guaianediol C15H26O3 254.188194 NA MeJP NA NA +MJ016529 6,10-Epoxy-7,10-isodaucanediol C15H26O3 254.188194 NA MeJP NA NA +MJ016530 6,15-Epoxy-1,4-eudesmanediol C15H26O3 254.188194 NA MeJP NA NA +MJ016531 6-Drimene-8,9,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016532 6-Guaiene-4,10,14-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016533 7,10-Epoxy-2-bisabolene-1,11-diol C15H26O3 254.188194 NA MeJP NA NA +MJ016534 7,11-Dihydroxy-6-drimanone C15H26O3 254.188194 NA MeJP NA NA +MJ016535 7-Drimene-11,12,14-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016536 7-Drimene-3,11,12-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016537 7-Drimene-3,5,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016538 7-Drimene-6,9,11-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016539 7-Eudesmene-1,3,4-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016540 7-Hydroxy-6,7-seco-3(15)-caryophyllen-6-oic acid C15H26O3 254.188194 NA MeJP NA NA +MJ016541 8(14)-Daucene-4,6,9-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016542 8-Daucene-2,4,6-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016543 8-Daucene-3,4,14-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016544 8-Daucene-3,4-diol, 8?,9?-Epoxide C15H26O3 254.188194 NA MeJP NA NA +MJ016545 9,10-Dihydroxy-4-oplopanone C15H26O3 254.188194 NA MeJP NA NA +MJ016546 9-Eremophilene-1,11,12-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016547 9-Eremophilene-8,11,12-triol C15H26O3 254.188194 NA MeJP NA NA +MJ016548 9-Hydroxy-10,12-pentadecadienoic acid C15H26O3 254.188194 NA MeJP NA NA +MJ016549 9-Hydroxy-2-bisabolen-15-oic acid C15H26O3 254.188194 NA MeJP NA NA +MJ016550 9-Oxo-2-bisabolen-15-oic acid, 2,3-Dihydro C15H26O3 254.188194 NA MeJP NA NA +MJ016551 Chokol H; 11-Hydroxy C15H26O3 254.188194 NA MeJP NA NA +MJ016552 Culmorin; 5R-Hydroxy C15H26O3 254.188194 NA MeJP NA NA +MJ016553 Fexerol C15H26O3 254.188194 NA MeJP NA NA +MJ016554 Helepuberinic acid C15H26O3 254.188194 NA MeJP NA NA +MJ016555 Tsangane J C15H26O3 254.188194 NA MeJP NA NA +MetaCyc02290 3-hydroxy-15-dihydrolubimin [] C15H26O3 254.188195 NA metacyc NA NA +C17603 Kikkanol A C15H26O3 254.1882 NA KEGG NA NA +C17606 Kikkanol D C15H26O3 254.1882 NA KEGG NA NA +C17608 Kikkanol F C15H26O3 254.1882 NA KEGG NA NA +C17610 Chrysanthetriol C15H26O3 254.1882 NA KEGG NA NA +EUR464 Dehydrotestosterone glucuronide F9 F9 254.202575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR464 Dehydrotestosterone glucuronide F9 NA 254.202575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR464 Dehydrotestosterone glucuronide F9 F9 254.202575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR464 Dehydrotestosterone glucuronide F9 NA 254.202575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR464 Dehydrotestosterone glucuronide F9 F9 254.202575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR464 Dehydrotestosterone glucuronide F9 NA 254.202575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR464 Dehydrotestosterone glucuronide F9 F9 254.202575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR464 Déhydrotestosterone glucuronide F9 F9 254.202575 standards wishlist analysés sur QTOF HMDB NA NA +EUR464 Dehydrotestosterone glucuronide F9 F9 254.202575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR464 Dehydrotestosterone glucuronide F9 NA 254.202575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR464 Dehydrotestosterone glucuronide F9 F9 254.202575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR464 Dehydrotestosterone glucuronide F9 F9 254.202575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ016556 18-Nor-4(19),8,11,13-abietatetraene C19H26 254.20345 NA MeJP NA NA +EUR455 Androsterone glucuronide F6 F6 254.203875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR455 Androsterone glucuronide F6 NA 254.203875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR455 Androsterone glucuronide F6 F6 254.203875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR455 Androsterone glucuronide F6 NA 254.203875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR455 Androsterone glucuronide F6 F6 254.203875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR455 Androsterone glucuronide F6 NA 254.203875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR455 Androsterone glucuronide F6 F6 254.203875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR455 Androstérone glucuronide F6 F6 254.203875 standards wishlist analysés sur QTOF HMDB NA NA +EUR455 Androsterone glucuronide F6 F6 254.203875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR455 Androsterone glucuronide F6 NA 254.203875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR455 Androsterone glucuronide F6 F6 254.203875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR455 Androsterone glucuronide F6 F6 254.203875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0640 Androsterone glucuronide [(M+H)-(C6H8O6)-2(H2O)]+ C19H27 254.203975 C18rt(min)=8.7 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0640 Androsterone glucuronide [(M+H)-(C6H8O6)-2(H2O)]+ C19H27 254.203975 C18rt(min)=8.7 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +EUR405 Retinoic acid F3 F3 254.204375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR405 Acide retinoique F3 NA 254.204375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR405 Retinoic acid F3 F3 254.204375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR405 Acide retinoique F3 NA 254.204375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR405 Retinoic acid F3 F3 254.204375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR405 Acide retinoique F3 NA 254.204375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR405 Retinoic acid F3 F3 254.204375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR405 Retinoic acid F3 F3 254.204375 standards wishlist analysés sur QTOF HMDB NA NA +EUR405 Retinoic acid F3 F3 254.204375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR405 Acide retinoique F3 NA 254.204375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR405 Retinoic acid F3 F3 254.204375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR405 Retinoic acid F3 F3 254.204375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB02186 Hypogeic acid C16H30O2 254.224579 NA HMDB2010 NA NA +HMDB03229 Palmitoleic acid C16H30O2 254.224579 NA HMDB2010 NA NA +HMDB10735 Trans-Hexa-dec-2-enoic acid C16H30O2 254.224579 NA HMDB2010 NA NA +HMDB12328 Palmitelaidic acid C16H30O2 254.224579 NA HMDB2010 NA NA +HMDB03229 Palmitoleic acid C16H30O2 254.22458 http://www.hmdb.ca/metabolites/HMDB03229 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02186 Hypogeic acid C16H30O2 254.22458 http://www.hmdb.ca/metabolites/HMDB02186 HMDB NA NA +HMDB03229 Palmitoleic acid C16H30O2 254.22458 http://www.hmdb.ca/metabolites/HMDB03229 HMDB NA NA +MJ016557 1-Hydroxy-10-hexadecen-7-one C16H30O2 254.22458 NA MeJP NA NA +MJ016558 10-Hexadecenoic acid C16H30O2 254.22458 NA MeJP NA NA +MJ016559 10-Tetradecen-1-ol; Ac C16H30O2 254.22458 NA MeJP NA NA +MJ016560 11-(2-Cyclopentenyl)undecanoic acid, 2',3'-Dihydro C16H30O2 254.22458 NA MeJP NA NA +MJ016561 11-Hexadecenoic acid C16H30O2 254.22458 NA MeJP NA NA +MJ016562 11-Tetradecen-1-ol, Ac C16H30O2 254.22458 NA MeJP NA NA +MJ016563 12-Tetradecen-1-ol, Ac C16H30O2 254.22458 NA MeJP NA NA +MJ016564 13-Hexadecenoic acid C16H30O2 254.22458 NA MeJP NA NA +MJ016565 14-Methyl-6-pentadecenoic acid C16H30O2 254.22458 NA MeJP NA NA +MJ016566 15-Hydroxyhexadecanoic acid, Lactone C16H30O2 254.22458 NA MeJP NA NA +MJ016567 3-Hexadecenoic acid C16H30O2 254.22458 NA MeJP NA NA +MJ016568 3-Tetradecen-1-ol, Ac C16H30O2 254.22458 NA MeJP NA NA +MJ016569 4,11-Eudesmanediol; 4?-form, 4-Me ether C16H30O2 254.22458 NA MeJP NA NA +MJ016570 4-Hexadecenoic acid C16H30O2 254.22458 NA MeJP NA NA +MJ016571 5-Dodecyldihydro-2(3H)-furanone C16H30O2 254.22458 NA MeJP NA NA +MJ016572 5-Hexadecenoic acid C16H30O2 254.22458 NA MeJP NA NA +MJ016573 5-Tetradecen-1-ol, Ac C16H30O2 254.22458 NA MeJP NA NA +MJ016574 6-Hexadecenoic acid C16H30O2 254.22458 NA MeJP NA NA +MJ016575 6-Tetradecen-1-ol, Ac C16H30O2 254.22458 NA MeJP NA NA +MJ016576 8-Tetradecen-1-ol, Ac C16H30O2 254.22458 NA MeJP NA NA +MJ016577 9-Cycloheptylnonanoic acid C16H30O2 254.22458 NA MeJP NA NA +MJ016578 9-Hexadecenoic acid C16H30O2 254.22458 NA MeJP NA NA +MJ016579 9-Tetradecen-1-ol, Ac C16H30O2 254.22458 NA MeJP NA NA +MJ016580 Tetrahydro-3-undecyl-2H-pyran-2-one C16H30O2 254.22458 NA MeJP NA NA +MJ016581 Tetrahydro-6-undecyl-2H-pyran-2-one C16H30O2 254.22458 NA MeJP NA NA +HMDB03229 Palmitoleic acid C16H30O2 254.22458 http://www.hmdb.ca/metabolites/HMDB03229 PFEM_hmdb_metabocards_blood NA blood +HMDB02186 Hypogeic acid C16H30O2 254.22458 HMDB02186 PFEM_hmdb_metabocards_official NA NA +HMDB03229 Palmitoleic acid C16H30O2 254.22458 HMDB03229 PFEM_hmdb_metabocards_official NA NA +C08362 (9Z)-Hexadecenoic acid C16H30O2 254.2246 NA KEGG NA NA +MJ016582 14-Methyl-8-hexadecen-1-ol C17H34O 254.260965 NA MeJP NA NA +MJ016583 2-Heptadecanone C17H34O 254.260965 NA MeJP NA NA +MJ016584 6,12-Dimethyl-2-pentadecanone C17H34O 254.260965 NA MeJP NA NA +MJ016585 9-Heptadecanone C17H34O 254.260965 NA MeJP NA NA +MJ016586 Heptadecanal C17H34O 254.260965 NA MeJP NA NA +MJ016587 2-Methylheptadecane C18H38 254.297351 NA MeJP NA NA +MJ016588 Octadecane C18H38 254.297351 NA MeJP NA NA +MJ016589 5-Methylheptadecane C18H38 254.297351 NA MeJP NA NA +MJ016590 6-Methylheptadecane C18H38 254.297351 NA MeJP NA NA +MJ016591 7-Methylheptadecane C18H38 254.297351 NA MeJP NA NA +MJ016592 8-Methylheptadecane C18H38 254.297351 NA MeJP NA NA +MJ016593 9-Methylheptadecane C18H38 254.297351 NA MeJP NA NA +TEST006 cys-homocysteine (cysteinylhomocysteine mixed disulfide ?) C7H14N2O4S2 254.32706 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=193401&loc=ec_rcs PFEM_hmdb_metabocards_urine NA urine +TEST006 cys-homocysteine (cysteinylhomocysteine mixed disulfide ?) C7H14N2O4S2 254.32706 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=193401&loc=ec_rcs BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +TEST006 cys-homocysteine (cysteinylhomocysteine mixed disulfide ?) C7H14N2O4S2 254.32706 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=193401&loc=ec_rcs Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +TEST006 cys-homocysteine (cysteinylhomocysteine mixed disulfide ?) C7H14N2O4S2 254.32706 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=193401&loc=ec_rcs banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +TEST006 cys-homocysteine (cysteinylhomocysteine mixed disulfide ?) C7H14N2O4S2 254.32706 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=193401&loc=ec_rcs HMDB NA NA +TEST006 cys-homocysteine (cysteinylhomocysteine mixed disulfide ?) C7H14N2O4S2 254.32706 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=193401&loc=ec_rcs Inhouse_PFEM NA NA +TEST006 cys-homocysteine (cysteinylhomocysteine mixed disulfide ?) C7H14N2O4S2 254.32706 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=193401&loc=ec_rcs PFEM_hmdb_metabocards_blood NA blood +TEST006 cys-homocysteine (cysteinylhomocysteine mixed disulfide ?) C7H14N2O4S2 254.32706 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=193401&loc=ec_rcs PFEM_hmdb_metabocards_official NA NA +7503 ACE inhibitor TQVY 254.618 MH2+ Inhouse_peptide NA peptide +8200 ACE inhibitor PTPVP 254.6355 MH2+ Inhouse_peptide NA peptide +3412 ACE inhibitor LALPP 254.6545 MH2+ Inhouse_peptide NA peptide +7669 ACE inhibitor from k-CN (94-98) IAIPP 254.6545 MH2+ Inhouse_peptide NA peptide +MJ016594 Amino (methoxysulfinyl) pentasulfide CH5NO2S6 254.864452 NA MeJP NA NA +MJ016595 Gallium nitrate GaN3O9 254.889034 NA MeJP NA NA +C11032 Trichlopyr C7H4Cl3NO3 254.9257 NA KEGG NA NA +MJ016596 6-Bromo-2-(methylthio)-3H-indol-3-one C9H6BrNOS 254.935347 NA MeJP NA NA +MJ016597 Tenonitrozole C8H5N3O3S2 254.977232 NA MeJP NA NA +MJ016598 Brofoxine C10H10BrNO2 254.989491 NA MeJP NA NA +MJ016599 Anagrelide C10H7Cl2N3O 254.996617 NA MeJP NA NA +HMDB05043 Lamotrigine C9H7Cl2N5 255.00784 http://www.hmdb.ca/metabolites/HMDB05043 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05043 Lamotrigine C9H7Cl2N5 255.00784 http://www.hmdb.ca/metabolites/HMDB05043 HMDB NA NA +HMDB05043 Lamotrigine C9H7Cl2N5 255.00784 http://www.hmdb.ca/metabolites/HMDB05043 PFEM_hmdb_metabocards_blood NA blood +HMDB05043 Lamotrigine C9H7Cl2N5 255.00784 HMDB05043 PFEM_hmdb_metabocards_official NA NA +MJ016600 Irsogladine C9H7Cl2N5 255.00785 NA MeJP NA NA +MJ016601 Lamotrigine C9H7Cl2N5 255.00785 NA MeJP NA NA +C11169 Sulfathiazole C9H9N3O2S2 255.0136 NA KEGG NA NA +MJ016602 Sulfathiazole C9H9N3O2S2 255.013617 NA MeJP NA NA +MJ016603 Thiazosulfone C9H9N3O2S2 255.013617 NA MeJP NA NA +MJ016604 Sparfosic acid C6H10NO8P 255.014402 NA MeJP NA NA +C14001 Sulbactam sodium C8H10NO5S 255.0177 NA KEGG NA NA +C14333 Pronamide C12H11Cl2NO 255.0218 NA KEGG NA NA +MJ016605 Cysteine, S-[(2-Carboxy-2-hydroxyethylthio)methyl] C7H13NO5S2 255.023513 NA MeJP NA NA +C05656 5-(3'-Carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate C10H9NO7 255.0379 NA KEGG NA NA +MJ016606 5-(3'-Carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate C10H9NO7 255.037901 NA MeJP NA NA +MJ016607 Secobatzelline A C10H10ClN3O3 255.041068 NA MeJP NA NA +C11110 Imidacloprid C9H10ClN5O2 255.0523 NA KEGG NA NA +MJ016608 1,3-Dioxo-1H-benz[de]isoquinoline-2(3H)-acetic acid C14H9NO4 255.053157 NA MeJP NA NA +MJ016609 Bostrycoidin; 7-O-De-Me, 6-deoxy C14H9NO4 255.053157 NA MeJP NA NA +MJ016610 Narciprimine; 8-Deoxy C14H9NO4 255.053157 NA MeJP NA NA +C08574 Apigeninidin C15H11O4 255.0657 NA KEGG NA NA +FL7DAANS0001 Apigeninidin C15H11O4 255.06573 1151-98-0 knapsack NA NA +MetaCyc02291 apigeninidin [] C15H11O4 255.065734 NA metacyc NA NA +C04229 1-(Indol-3-yl)propanol 3-phosphate C11H14NO4P 255.066 NA KEGG NA NA +C04230 1-Acyl-sn-glycero-3-phosphocholine C9H20NO7PR 255.066 NA KEGG NA NA +C04232 2'-Deoxyribonucleoside diphosphate C5H11O9P2R 255.066 NA KEGG NA NA +C04233 2-Acyl-sn-glycero-3-phosphocholine C9H20NO7PR 255.066 NA KEGG NA NA +EUR231 Sialic acid F5 F5 255.077675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR231 Acide sialique F5 NA 255.077675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR231 Sialic acid F5 F5 255.077675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR231 Acide sialique F5 NA 255.077675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR231 Sialic acid F5 F5 255.077675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR231 Acide sialique F5 NA 255.077675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR231 Sialic acid F5 F5 255.077675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR231 Sialic acid F5 F5 255.077675 standards wishlist analysés sur QTOF HMDB NA NA +EUR231 Sialic acid F5 F5 255.077675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR231 Acide sialique F5 NA 255.077675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR231 Sialic acid F5 F5 255.077675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR231 Sialic acid F5 F5 255.077675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ016611 Clavaminic acid, N-(Aminoacetyl) C10H13N3O5 255.08552 NA MeJP NA NA +CJneg0471 Pantothenic acid [(M+Cl)]- C9H17ClNO5 255.087925 C18rt(min)=4.77 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0471 Pantothenic acid [(M+Cl)]- C9H17ClNO5 255.087925 C18rt(min)=4.77 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C07062 Ketorolac C15H13NO3 255.0895 NA KEGG NA NA +C12199 3-Methoxy-8,9-methylenedioxy-3,4-dihydrophenanthridine C15H13NO3 255.0895 NA KEGG NA NA +C14622 (E)-1-Methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene C15H13NO3 255.0895 NA KEGG NA NA +C15120 alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid C15H13NO3 255.0895 NA KEGG NA NA +MJ016612 (2-Amino-3-benzoylphenyl)acetic acid C15H13NO3 255.089543 NA MeJP NA NA +MJ016613 1,3-Dimethoxyacridone C15H13NO3 255.089543 NA MeJP NA NA +MJ016614 1,6-Dihydroxy-9H-carbazole-3-carboxaldehyde; Di-Me ether C15H13NO3 255.089543 NA MeJP NA NA +MJ016615 1,8-Dihydroxy-9H-carbazole-3-carboxaldehyde; Di-Me ether C15H13NO3 255.089543 NA MeJP NA NA +MJ016616 1-Hydroxy-3-methoxy-10-methylacridone C15H13NO3 255.089543 NA MeJP NA NA +MJ016617 1-Methoxy-9H-carbazole-3-carboxylic acid; Me ester C15H13NO3 255.089543 NA MeJP NA NA +MJ016618 2,7-Dihydroxy-9H-carbazole-3-carboxaldehyde; Di-Me ether C15H13NO3 255.089543 NA MeJP NA NA +MJ016619 2-Hydroxy-9H-carbazole-3-carboxylic acid; Me ether, Me ester C15H13NO3 255.089543 NA MeJP NA NA +MJ016620 4-Hydroxy-3-methoxy-2-methyl-9H-carbazole-1-carboxaldehyde C15H13NO3 255.089543 NA MeJP NA NA +MJ016621 6-Hydroxy-9H-carbazole-3-carboxylic acid; Me ether, Me ester C15H13NO3 255.089543 NA MeJP NA NA +MJ016622 7,8-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; Di-Me ether C15H13NO3 255.089543 NA MeJP NA NA +MJ016623 7-Hydroxy-9H-carbazole-3-carboxylic acid; Me ether, Me ester C15H13NO3 255.089543 NA MeJP NA NA +MJ016624 Ketorolac C15H13NO3 255.089543 NA MeJP NA NA +MJ016625 Lansine; Me ether C15H13NO3 255.089543 NA MeJP NA NA +MJ016626 Pranoprofen C15H13NO3 255.089543 NA MeJP NA NA +CJpos0641 Dihydroneopterin isomer [(M+H)]+ C9H14N5O4 255.096175 C18rt(min)=4.86 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0641 Dihydroneopterin isomer [(M+H)]+ C9H14N5O4 255.096175 C18rt(min)=4.86 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ016627 2-Amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine C9H13N5O4 255.096753 NA MeJP NA NA +MJ016628 9-(2,3-Dihydroxy-1-propoxymethyl)guanine C9H13N5O4 255.096753 NA MeJP NA NA +MJ016629 Ganciclovir C9H13N5O4 255.096753 NA MeJP NA NA +MetaCyc02292 dihydro-neo-pterin [2-amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine;dihydro-neo-pterin;2-amino-4-hydroxy-6-(D-erythro)-trihydroxypropyldihydropteridin;] C9H13N5O4 255.096754 NA metacyc NA NA +HMDB02275 7,8-Dihydroneopterin C9H13N5O4 255.096756 NA HMDB2010 NA NA +HMDB02275 7,8-Dihydroneopterin C9H13N5O4 255.09676 http://www.hmdb.ca/metabolites/HMDB02275 HMDB NA NA +HMDB02275 7,8-Dihydroneopterin C9H13N5O4 255.09676 HMDB02275 PFEM_hmdb_metabocards_official NA NA +C04874 2-Amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8- C9H13N5O4 255.0968 NA KEGG NA NA +MJ016630 N-Ribosylnicotinamide C11H15N2O5 255.098096 NA MeJP NA NA +MetaCyc02293 nicotinamide riboside [N-ribosyl-nicotinamide;nicotinamide ribonucleoside;nicotinamide ribose;nicotinamide-β-riboside;ribosylnicotinamide;] C11H15N2O5 255.098097 1341-23-7 metacyc NA NA +HMDB00855 Nicotinamide riboside C11H15N2O5 255.098099 NA HMDB2010 NA NA +HMDB00855 Nicotinamide riboside C11H15N2O5 255.0981 http://www.hmdb.ca/metabolites/HMDB00855 HMDB NA NA +C03150 N-Ribosylnicotinamide C11H15N2O5 255.0981 NA KEGG NA NA +C03151 N2-Acylated Arg-CH2Cl C8H14ClN4O2R 255.0981 NA KEGG NA NA +C03152 N2-Acylated Lys-CH2Cl C8H14ClN2O2R 255.0981 NA KEGG NA NA +HMDB00855 Nicotinamide riboside C11H15N2O5 255.0981 HMDB00855 PFEM_hmdb_metabocards_official NA NA +MJ016631 2-(3-Trifluoromethyl)phenylhistamine C12H12F3N3 255.098332 NA MeJP NA NA +MJ016632 Aplysinopsin; 3'-Deimino, 3'-oxo C14H13N3O2 255.100776 NA MeJP NA NA +HMDB12235 Hydroxybupropion C13H18ClNO2 255.1026 NA HMDB2010 NA NA +MJ016633 Alaproclate C13H18ClNO2 255.102606 NA MeJP NA NA +MJ016634 Cloforex C13H18ClNO2 255.102606 NA MeJP NA NA +MetaCyc02294 hydroxybupropion [] C13H18N1O2CL1 255.102607 NA metacyc NA NA +CJpos0642 Carnitine derivative [(M+H)]+ C12H18NO5 255.110175 C18rt(min)=4.62 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0642 Carnitine derivative [(M+H)]+ C12H18NO5 255.110175 C18rt(min)=4.62 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +2774 protease HIV 1 inhibitor LEYS 255.1105 MH2+ Inhouse_peptide NA peptide +MJ016635 Rubrobramide C12H17NO5 255.110672 NA MeJP NA NA +MetaCyc02295 N-D-glucosylarylamine [] C12H17N1O5 255.110673 NA metacyc NA NA +C03142 N-D-Glucosylarylamine C12H17NO5 255.1107 NA KEGG NA NA +C14900 6-(1,2,3,4-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone C16H17NO2 255.1259 NA KEGG NA NA +C14901 1-Methyl-6-(1,2,3,4-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone C16H17NO2 255.1259 NA KEGG NA NA +MJ016636 1,2-Dimethyl-3,4-dihydroxycarbazole; Di-Me ether C16H17NO2 255.125928 NA MeJP NA NA +MJ016637 2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol C16H17NO2 255.125928 NA MeJP NA NA +MJ016638 2-(4-Methoxyphenyl)ethylamine; N-Benzoyl C16H17NO2 255.125928 NA MeJP NA NA +MJ016639 Glycocitlone A; 3'-Deoxy, 3',4'-didehydro C16H17NO2 255.125928 NA MeJP NA NA +MJ016640 Tiprenolol C13H21NO2S 255.129299 NA MeJP NA NA +3746 NA PGAIPG 255.1335 MH2+ Inhouse_peptide NA peptide +MJ016641 Cetoxime C15H17N3O 255.137162 NA MeJP NA NA +MJ016642 Metralindole C15H17N3O 255.137162 NA MeJP NA NA +MJ016643 N?-Cinnamoylhistamine; (E)-1H-form, N1-Me C15H17N3O 255.137162 NA MeJP NA NA +MJ016644 N?-Cinnamoylhistamine; (Z)-1H-form, N1-Me C15H17N3O 255.137162 NA MeJP NA NA +MJ016645 Clobutinol C14H22ClNO 255.138992 NA MeJP NA NA +MJ016646 1,7-Dihydroxy-1-hydroxymethylpyrrolizidine, O1'-Angeloyl C13H21NO4 255.147058 NA MeJP NA NA +MJ016647 1,7-Dihydroxy-1-hydroxymethylpyrrolizidine, O7-Angeloyl C13H21NO4 255.147058 NA MeJP NA NA +MJ016648 1,7-Dihydroxy-1-hydroxymethylpyrrolizidine, O1'-Angeloyl C13H21NO4 255.147058 NA MeJP NA NA +MJ016649 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-(3-Methylbutanoyl), N-oxide C13H21NO4 255.147058 NA MeJP NA NA +MJ016650 2,7-Dihydroxy-1-hydroxymethylpyrrolizidine, O9-Angeloyl C13H21NO4 255.147058 NA MeJP NA NA +MJ016651 2-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-Angeloyl, N-oxide C13H21NO4 255.147058 NA MeJP NA NA +MJ016652 7-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-Angeloyl, N-oxide C13H21NO4 255.147058 NA MeJP NA NA +MJ016653 8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-Tigloyl C13H21NO4 255.147058 NA MeJP NA NA +MJ016654 8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 6-O-Tigloyl C13H21NO4 255.147058 NA MeJP NA NA +C10861 Meteloidine C13H21NO4 255.1471 NA KEGG NA NA +MetaCyc02296 pyrrolysine [] C12H21N3O3 255.158292 NA metacyc NA NA +C16138 L-Pyrrolysine C12H21N3O3 255.1583 NA KEGG NA NA +C16139 tRNA(Pyl) C10H17O10PR2 255.1583 NA KEGG NA NA +C16140 L-Lysyl-tRNA(Pyl) C16H29N2O11PR2 255.1583 NA KEGG NA NA +HMDB01927 Diphenhydramine C17H21NO 255.162308 NA HMDB2010 NA NA +MJ016655 2,6,8-Tridecatriene-10,12-diynoic acid, 2-Methylpropylamide C17H21NO 255.162314 NA MeJP NA NA +MJ016656 2-(2-Heptenyl)-3-methyl-4(1H)-quinolinone C17H21NO 255.162314 NA MeJP NA NA +MJ016657 Darlingianine, 2-Ketone C17H21NO 255.162314 NA MeJP NA NA +MJ016658 Diphenhydramine C17H21NO 255.162314 NA MeJP NA NA +MJ016659 Phenyltoloxamine C17H21NO 255.162314 NA MeJP NA NA +MJ016660 Tofenacin C17H21NO 255.162314 NA MeJP NA NA +MJ016661 Tomoxetine C17H21NO 255.162314 NA MeJP NA NA +C07180 Tripelennamine C16H21N3 255.1735 NA KEGG NA NA +C07181 Transferred to D00395 C16H21N3 255.1735 NA KEGG NA NA +MJ016662 Deriglidole C16H21N3 255.173547 NA MeJP NA NA +MJ016663 Tripelennamine C16H21N3 255.173547 NA MeJP NA NA +MJ016664 1,4-Dimethyl-7-(1-methylethenyl)azulene C18H25N 255.198699 NA MeJP NA NA +MJ016665 Dimemorfan C18H25N 255.198699 NA MeJP NA NA +MJ016666 Heptaverine C18H25N 255.198699 NA MeJP NA NA +MJ016667 Volazocine C18H25N 255.198699 NA MeJP NA NA +MJ016668 1-Nitro-1-pentadecene C15H29NO2 255.219829 NA MeJP NA NA +MJ016669 2-(2-Hydroxybutyl)-6-(2-hydroxypentyl)-1-methylpiperidine, 3,4-Didehydro C15H29NO2 255.219829 NA MeJP NA NA +HMDB12273 Palmitic amide C16H33NO 255.25621 NA HMDB2010 NA NA +MJ016670 Hexadecanoic acid; Amide C16H33NO 255.256214 NA MeJP NA NA +MetaCyc02297 S8 [elemental sulfur;orthorhombic sulfur;S0;rhombic sulfur;] S8 255.776566 NA metacyc NA NA +MJ016671 2,3-Dibromo-2-propenoic acid, Et ester C5H6Br2O2 255.873454 NA MeJP NA NA +MJ016672 Trichlorfon C4H8Cl3O4P 255.922578 NA MeJP NA NA +C07971 Metrifonate C4H8Cl3O4P 255.9226 NA KEGG NA NA +C07972 Transferred to D00806 C4H8Cl3O4P 255.9226 NA KEGG NA NA +MJ016673 3,5,6-Trichloro-1,2,4-benzenetriol; 1,4-Di-Me ether C8H7Cl3O3 255.946077 NA MeJP NA NA +MJ016674 3,5,6-Trichloro-1,2,4-benzenetriol; 2,4-Di-Me ether C8H7Cl3O3 255.946077 NA MeJP NA NA +C14357 2,3,4-Trichlorobiphenyl C12H7Cl3 255.9613 NA KEGG NA NA +C14358 2,3',5-Trichlorobiphenyl C12H7Cl3 255.9613 NA KEGG NA NA +C14359 2,3,6-Trichlorobiphenyl C12H7Cl3 255.9613 NA KEGG NA NA +C12491 Pyrrolnitrin C10H6Cl2N2O2 255.9806 NA KEGG NA NA +C12492 Transferred to D01095 C10H6Cl2N2O2 255.9806 NA KEGG NA NA +C12493 Transferred to D01096 C10H6Cl2N2O2 255.9806 NA KEGG NA NA +C12494 Transferred to D01097 C10H6Cl2N2O2 255.9806 NA KEGG NA NA +C12495 Transferred to D01098 C10H6Cl2N2O2 255.9806 NA KEGG NA NA +C12496 Transferred to D01099 C10H6Cl2N2O2 255.9806 NA KEGG NA NA +C12497 Transferred to D01100 C10H6Cl2N2O2 255.9806 NA KEGG NA NA +C12498 Transferred to D01101 C10H6Cl2N2O2 255.9806 NA KEGG NA NA +C12499 Transferred to D01102 C10H6Cl2N2O2 255.9806 NA KEGG NA NA +C12500 Transferred to D01103 C10H6Cl2N2O2 255.9806 NA KEGG NA NA +C12501 Transferred to D01104 C10H6Cl2N2O2 255.9806 NA KEGG NA NA +C12502 Transferred to D01105 C10H6Cl2N2O2 255.9806 NA KEGG NA NA +C12503 Transferred to D01106 C10H6Cl2N2O2 255.9806 NA KEGG NA NA +C12504 Transferred to D01107 C10H6Cl2N2O2 255.9806 NA KEGG NA NA +C12505 Transferred to D01108 C10H6Cl2N2O2 255.9806 NA KEGG NA NA +C12506 Transferred to D01109 C10H6Cl2N2O2 255.9806 NA KEGG NA NA +C12507 Transferred to D01110 C10H6Cl2N2O2 255.9806 NA KEGG NA NA +MJ016675 2,3-Dichloro-4-(2-nitrophenyl)pyrrole C10H6Cl2N2O2 255.980632 NA MeJP NA NA +MJ016676 Pyrrolnitrin C10H6Cl2N2O2 255.980632 NA MeJP NA NA +C02812 Ascorbate 2-sulfate C6H8O9S 255.9889 NA KEGG NA NA +C02813 Bacterial cell wall C6H8O9S 255.9889 NA KEGG NA NA +C16186 L-Ascorbate 6-phosphate C6H9O9P 255.9984 NA KEGG NA NA +MetaCyc02298 2-phospho-L-ascorbate [2-phosphoascorbate;ascorbic acid 2-phosphate;] C6H9O9P1 255.998418 NA metacyc NA NA +MetaCyc02299 L-ascorbate-6-phosphate [] C6H9O9P1 255.998418 NA metacyc NA NA +C11585 4-Methylumbelliferone sulfate C10H8O6S 256.0042 NA KEGG NA NA +MJ016677 Sulfathiadiazole C8H8N4O2S2 256.008866 NA MeJP NA NA +MJ016678 3,4-Dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-carboxylic acid, 5-Chloro C11H9ClO5 256.013851 NA MeJP NA NA +CJpos0643 7-Methylxanthine [(M+Na)+(HCOONa)]+ C7H7N4Na2O4 256.017875 C18rt(min)=4.01 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0643 7-Methylxanthine [(M+Na)+(HCOONa)]+ C7H7N4Na2O4 256.017875 C18rt(min)=4.01 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ016679 Secobatzelline A; 4-Deimino, 4-oxo C10H9ClN2O4 256.025084 NA MeJP NA NA +C15189 3-(4-Chlorophenyl)-2H-1-benzopyran-2-one C15H9ClO2 256.0291 NA KEGG NA NA +FL1A99NSH001 4'-Chloroaurone C15H9ClO2 256.0291 38216-61-4 knapsack NA NA +MJ016680 2-(4-Chlorophenyl)-1,3-indanedione C15H9ClO2 256.029107 NA MeJP NA NA +MJ016681 4'-Chloroaurone C15H9ClO2 256.029107 NA MeJP NA NA +MJ016682 1,2-Dithiolo[4,3-b]pyrrol-5(4H)-one; N6-Pentanoyl C10H12N2O2S2 256.034019 NA MeJP NA NA +MJ016683 Pyrrothine; N-(2-Methylpropanoyl) C10H12N2O2S2 256.034019 NA MeJP NA NA +MJ016684 1,2,3-Trihydroxyanthraquinone C14H8O5 256.037173 NA MeJP NA NA +MJ016685 1,2,3-Trihydroxyxanthone; 2,3-Methylene ether C14H8O5 256.037173 NA MeJP NA NA +MJ016686 1,2,4-Trihydroxyanthraquinone C14H8O5 256.037173 NA MeJP NA NA +MJ016687 1,3,6-Trihydroxyanthraquinone C14H8O5 256.037173 NA MeJP NA NA +MJ016688 1,3,8-Trihydroxyanthraquinone C14H8O5 256.037173 NA MeJP NA NA +MJ016689 2,3,4-Trihydroxyxanthone; 2,3-Methylene ether C14H8O5 256.037173 NA MeJP NA NA +MJ016690 2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione C14H8O5 256.037173 NA MeJP NA NA +MJ016691 Kigelinone, 1'-Ketone C14H8O5 256.037173 NA MeJP NA NA +MJ016692 Lambertellin C14H8O5 256.037173 NA MeJP NA NA +C10297 Anthragallol C14H8O5 256.0372 NA KEGG NA NA +C10395 Purpurin C14H8O5 256.0372 NA KEGG NA NA +MJ016693 2,3-Dihydroxy-1-phenazinecarboxylic acid C13H8N2O4 256.048406 NA MeJP NA NA +MJ016694 2,6-Dihydroxy-1-phenazinecarboxylic acid C13H8N2O4 256.048406 NA MeJP NA NA +MJ016695 2,9-Dihydroxy-1-phenazinecarboxylic acid C13H8N2O4 256.048406 NA MeJP NA NA +MJ016696 2-Amino-3-oxo-3H-phenoxazine-1-carboxylic acid C13H8N2O4 256.048406 NA MeJP NA NA +MJ016697 2-Amino-3-oxo-3H-phenoxazine-8-carboxylic acid C13H8N2O4 256.048406 NA MeJP NA NA +MJ016698 3,6-Dihydroxy-1-phenazinecarboxylic acid C13H8N2O4 256.048406 NA MeJP NA NA +MJ016699 5-Hydroxytryptamine; O-Sulfate C10H12N2O4S 256.051777 NA MeJP NA NA +C00225 Methyl viologen C12H14N2 256.0534 NA KEGG NA NA +C00226 Primary alcohol CH3OR 256.0534 NA KEGG NA NA +MJ016700 4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol; Ac C15H12O2S 256.0558 NA MeJP NA NA +MJ016701 5-[5-(3-Buten-1-ynyl)-2-thienyl]-2-penten-4-yn-1-ol, Ac C15H12O2S 256.0558 NA MeJP NA NA +MJ016702 Islandic acid II C11H12O7 256.058302 NA MeJP NA NA +MJ016703 Multicolic acid; 5'-Carboxylic acid C11H12O7 256.058302 NA MeJP NA NA +MJ016704 Piscidic acid C11H12O7 256.058302 NA MeJP NA NA +MJ016705 Ustic acid C11H12O7 256.058302 NA MeJP NA NA +MJ016706 3-(2-Dimethylaminoethyl)-4-hydroxyindole; Di-N-de-Me, O-phosphate C10H13N2O4P 256.061293 NA MeJP NA NA +HMDB05760 Dihydrodaidzein C15H12O4 256.073547 NA HMDB2010 NA NA +HMDB05760 Dihydrodaidzein C15H12O4 256.07355 http://www.hmdb.ca/metabolites/HMDB05760 PFEM_hmdb_metabocards_urine NA urine +HMDB05760 Dihydrodaidzein C15H12O4 256.07355 http://www.hmdb.ca/metabolites/HMDB05760 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB05760 Dihydrodaidzein C15H12O4 256.07355 http://www.hmdb.ca/metabolites/HMDB05760 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB05760 Dihydrodaidzein C15H12O4 256.07355 http://www.hmdb.ca/metabolites/HMDB05760 HMDB NA NA +FL1C1ANS0001 Isoliquiritigenin C15H12O4 256.07355 961-29-5 knapsack NA NA +FL1C9ANS0003 4,2',5'-Trihydroxychalcone C15H12O4 256.07355 193746-17-7 knapsack NA NA +FL1C9CNS0001 3,4,2'-Trihydroxychalcone C15H12O4 256.07355 - knapsack NA NA +FL1CA9NS0001 2',4',6'-Trihydroxychalcone C15H12O4 256.07355 4197-97-1 knapsack NA NA +FL1CUNNS0003 Lucidone C15H12O4 256.07355 19956-53-7 knapsack NA NA +FL2F1ANS0001 Liquiritigenin C15H12O4 256.07355 578-86-9 knapsack NA NA +FL2FA9NS0001 Pinocembrin C15H12O4 256.07355 480-39-7 knapsack NA NA +FL4D19NS0001 3,7-dihydroxyflavanone C15H12O4 256.07355 41680-10-8 knapsack NA NA +FLIB1ANS0001 Dihydrodaidzein;7,4'-Dihydroxyisoflavanone C15H12O4 256.07355 17238-05-0 knapsack NA NA +FLICWXNS0001 Haginin D;7,2',4'-Trihydroxyisoflavene C15H12O4 256.07355 79852-13-4 knapsack NA NA +FLID1ANS0002 Demethylmedicarpin;3,9-Dihydroxypterocarpan C15H12O4 256.07355 61135-91-9 knapsack NA NA +FLII1ANS0003 6-Demethylvignafuran;6-Hydroxy-2-(4-hydroxy-2-methoxyphenyl)benzofuran C15H12O4 256.07355 74048-90-1 knapsack NA NA +FLII1ANS0004 Centrolobofuran;2-(2'-Hydroxy-4'-methoxyphenyl)benzofuran-6-ol C15H12O4 256.07355 67685-33-0 knapsack NA NA +HMDB05760 Dihydrodaidzein C15H12O4 256.07355 HMDB05760 PFEM_hmdb_metabocards_official NA NA +MJ016707 1,2-Dihydroxyxanthone; Di-Me ether C15H12O4 256.073558 NA MeJP NA NA +MJ016708 1,3,8,9-Tetrahydroxy-6-methylanthracene C15H12O4 256.073558 NA MeJP NA NA +MJ016709 1,8-Dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone C15H12O4 256.073558 NA MeJP NA NA +MJ016710 2',3,4-Trihydroxychalcone C15H12O4 256.073558 NA MeJP NA NA +MJ016711 2',4',6'-Trihydroxychalcone C15H12O4 256.073558 NA MeJP NA NA +MJ016712 2',4',7-Trihydroxy-2-isoflavene C15H12O4 256.073558 NA MeJP NA NA +MJ016713 2',4',7-Trihydroxyisoflavene C15H12O4 256.073558 NA MeJP NA NA +MJ016714 2',4,4'-Trihydroxychalcone C15H12O4 256.073558 NA MeJP NA NA +MJ016715 2,3,4,5-Phenanthrenetetrol; 4-Me ether C15H12O4 256.073558 NA MeJP NA NA +MJ016716 2,3,4,7-Phenanthrenetetrol; 4-Me ether C15H12O4 256.073558 NA MeJP NA NA +MJ016717 2,3-Dihydroxyxanthone; Di-Me ether C15H12O4 256.073558 NA MeJP NA NA +MJ016718 2,4,4'-Trihydroxychalcone C15H12O4 256.073558 NA MeJP NA NA +MJ016719 2,4-Dihydroxy-6-(2-phenylethenyl)benzoic acid C15H12O4 256.073558 NA MeJP NA NA +MJ016720 2,6-Dihydroxy-1,8-dimethyl-3H-xanthen-3-one C15H12O4 256.073558 NA MeJP NA NA +MJ016721 2,7-Dihydroxy-1,4-phenanthraquinone; 9,10-Dihydro, 2-Me ether C15H12O4 256.073558 NA MeJP NA NA +MJ016722 2,7-Dihydroxy-1,4-phenanthraquinone; 9,10-Dihydro, 7-Me ether C15H12O4 256.073558 NA MeJP NA NA +MJ016723 2-(2,4-Dihydroxyphenyl)-6-hydroxybenzofuran; 2'-Me ether C15H12O4 256.073558 NA MeJP NA NA +MJ016724 2-(2,4-Dihydroxyphenyl)-6-hydroxybenzofuran; 4'-Me ether C15H12O4 256.073558 NA MeJP NA NA +MJ016725 2-Acetoxybenzoic acid; Ph ester C15H12O4 256.073558 NA MeJP NA NA +MJ016726 3,4-Dihydro-6,8-dihydroxy-3-phenyl-1H-2-benzopyran-1-one C15H12O4 256.073558 NA MeJP NA NA +MJ016727 3,7-Dihydroxyflavanone C15H12O4 256.073558 NA MeJP NA NA +MJ016728 3,9-Dihydroxypterocarpan C15H12O4 256.073558 NA MeJP NA NA +MJ016729 3-Hydroxydehydroiso-?-lapachone C15H12O4 256.073558 NA MeJP NA NA +MJ016730 4',7-Dihydroxyflavanone C15H12O4 256.073558 NA MeJP NA NA +MJ016731 4',7-Dihydroxyisoflavanone C15H12O4 256.073558 NA MeJP NA NA +MJ016732 4-(3,4,5-Trihydroxyphenyl)benzofuran; 3'-Me ether C15H12O4 256.073558 NA MeJP NA NA +MJ016733 4-Methoxy-3,4'-oxybisbenzaldehyde C15H12O4 256.073558 NA MeJP NA NA +MJ016734 5,7-Dihydroxyflavanone C15H12O4 256.073558 NA MeJP NA NA +MJ016735 8-Hydroxy-1-hydroxymethyl-3-methylxanthone C15H12O4 256.073558 NA MeJP NA NA +MJ016736 Arnocoumarin; 9-Methoxy C15H12O4 256.073558 NA MeJP NA NA +MJ016737 Aspergione D; 1,2-Didehydro, 4-ketone C15H12O4 256.073558 NA MeJP NA NA +MJ016738 Dehydroiso-?-lapachone, 5-Hydroxy C15H12O4 256.073558 NA MeJP NA NA +MJ016739 Dehydroiso-?-lapachone, 6-Hydroxy C15H12O4 256.073558 NA MeJP NA NA +MJ016740 Dehydroiso-?-lapachone, 7-Hydroxy C15H12O4 256.073558 NA MeJP NA NA +MJ016741 Dehydroiso-?-lapachone, 8-Hydroxy C15H12O4 256.073558 NA MeJP NA NA +MJ016742 Dehydroptaeroxylin C15H12O4 256.073558 NA MeJP NA NA +MJ016743 Eleutherinol C15H12O4 256.073558 NA MeJP NA NA +MJ016744 Frutescin; 1'-Oxo C15H12O4 256.073558 NA MeJP NA NA +MJ016745 Furoaloesone C15H12O4 256.073558 NA MeJP NA NA +MJ016746 Hortinone C15H12O4 256.073558 NA MeJP NA NA +MJ016747 Hydrangeic acid C15H12O4 256.073558 NA MeJP NA NA +MJ016748 Hydrangenol C15H12O4 256.073558 NA MeJP NA NA +MJ016749 Isagarin C15H12O4 256.073558 NA MeJP NA NA +MJ016750 Lucidone C15H12O4 256.073558 NA MeJP NA NA +MJ016751 Mansonone F; 14-Hydroxy C15H12O4 256.073558 NA MeJP NA NA +MJ016752 Methyl 2-hydroxybenzoate; Benzoyl C15H12O4 256.073558 NA MeJP NA NA +MJ016753 Mycosinol; Ac (7E-) C15H12O4 256.073558 NA MeJP NA NA +MJ016754 Mycosinol; Ac (7Z-) C15H12O4 256.073558 NA MeJP NA NA +MJ016755 Stenocarpone B, 2,3-Didehydro C15H12O4 256.073558 NA MeJP NA NA +MJ016756 ?-Caryopterone C15H12O4 256.073558 NA MeJP NA NA +MJ016757 ?-Lapachone; 4-Oxo C15H12O4 256.073558 NA MeJP NA NA +MetaCyc02300 pinocembrin chalcone [] C15H12O4 256.073559 NA metacyc NA NA +MetaCyc02301 (2S)-pinocembrin [] C15H12O4 256.073559 NA metacyc NA NA +MetaCyc02302 (6aR,11aR)-3,9-dihydroxypterocarpan [(-)-3,9-dihydroxypterocarpan;] C15H12O4 256.073559 NA metacyc NA NA +MetaCyc02303 liquiritigenin [7,4'-dihydroxyflavanone;] C15H12O4 256.073559 NA metacyc NA NA +MetaCyc02304 isoliquiritigenin [42'4'-trihydroxychalcone;] C15H12O4 256.073559 NA metacyc NA NA +C04271 (6aR,11aR)-3,9-Dihydroxypterocarpan C15H12O4 256.0736 NA KEGG NA NA +C08650 Isoliquiritigenin C15H12O4 256.0736 NA KEGG NA NA +C09762 Liquiritigenin C15H12O4 256.0736 NA KEGG NA NA +C09827 Pinocembrin C15H12O4 256.0736 NA KEGG NA NA +C10262 Hydrangenol C15H12O4 256.0736 NA KEGG NA NA +C15609 3',5'-Dihydroxyflavanone C15H12O4 256.0736 NA KEGG NA NA +C16404 Pinocembrin chalcone C15H12O4 256.0736 NA KEGG NA NA +C16760 Aloe emodin anthrone C15H12O4 256.0736 NA KEGG NA NA +MJ016758 Chlormidazole C15H13ClN2 256.076726 NA MeJP NA NA +MJ016759 3,3-Bis(ethylthio)pentane; S,S,S',S'-Tetraoxide C9H20O4S2 256.0803 NA MeJP NA NA +C05841 Nicotinate D-ribonucleoside C11H14NO6 256.0821 NA KEGG NA NA +HMDB06809 Nicotinate D-ribonucleoside C11H14NO6 256.082123 NA HMDB2010 NA NA +MJ016760 4-Aminophenol; N-Ac, 3-pyridinecarbonyl ester C14H12N2O3 256.084792 NA MeJP NA NA +MJ016761 4-Methoxy-?-carboline-1-carboxylic acid; Me ester C14H12N2O3 256.084792 NA MeJP NA NA +MJ016762 7-Methoxy-?-carboline-1-carboxylic acid; Me ester C14H12N2O3 256.084792 NA MeJP NA NA +MJ016763 ?-Carboline-1-propanoic acid; 7-Hydroxy C14H12N2O3 256.084792 NA MeJP NA NA +MJ016764 Picrasidine X C14H12N2O3 256.084792 NA MeJP NA NA +C15341 Fluorofelbamate C11H13FN2O4 256.0859 NA KEGG NA NA +MJ016765 Antibiotic NS 5 C11H16N2O3S 256.088163 NA MeJP NA NA +MJ016766 Ozolinone C11H16N2O3S 256.088163 NA MeJP NA NA +C17368 NS-5 C11H16N2O3S 256.0882 NA KEGG NA NA +MJ016767 2',3',4',5',6'-Pentahydroxyacetophenone; 2',3',4',5'-Tetra Me-ether C12H16O6 256.094688 NA MeJP NA NA +MJ016768 4,6-Nonadiene-2,3,7-tricarboxylic acid C12H16O6 256.094688 NA MeJP NA NA +MJ016769 Dactylose A C12H16O6 256.094688 NA MeJP NA NA +MJ016770 Viridicatic acid C12H16O6 256.094688 NA MeJP NA NA +C02578 Phenylgalactoside C12H16O6 256.0947 NA KEGG NA NA +C02579 Polygalacturonide C12H16O6 256.0947 NA KEGG NA NA +C03097 Aryl beta-D-glucoside C12H16O6 256.0947 NA KEGG NA NA +C11611 Phenyl beta-D-glucopyranoside C12H16O6 256.0947 NA KEGG NA NA +C11612 Polymyxin B C55H95N16O13R 256.0947 NA KEGG NA NA +C11613 Polymyxin B sulfate C55H95N16O13R 256.0947 NA KEGG NA NA +C11614 Prenyl-Cys methyl esters C10H17N2O3SR 256.0947 NA KEGG NA NA +MJ016771 Alboinone C13H12N4O2 256.096025 NA MeJP NA NA +MJ016772 Tienocarbine C15H16N2S 256.103419 NA MeJP NA NA +C15497 1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide C11H16N2O5 256.1059 NA KEGG NA NA +C15498 ROOH HO2R 256.1059 NA KEGG NA NA +MJ016773 2-Amino-3-methylene-4-pentenoic acid; N-?-Glutamyl C11H16N2O5 256.105921 NA MeJP NA NA +MJ016774 ?-Glutamyl-2-amino-3,5-hexadienoic acid C11H16N2O5 256.105921 NA MeJP NA NA +MJ016775 Edoxudine C11H16N2O5 256.105921 NA MeJP NA NA +MJ016776 ?-(Methylenecyclopropyl)glycine, N-?-Glutamyl C11H16N2O5 256.105921 NA MeJP NA NA +HMDB11648 1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide C11H16N2O5 256.105927 NA HMDB2010 NA NA +3250 beta-casomorphin YPSF 256.1075 MH2+ Inhouse_peptide NA peptide +MJ016777 sn-Glycero-3-phosphocholine C9H21O6P 256.107574 NA MeJP NA NA +C08731 Xenognosin A C16H16O3 256.1099 NA KEGG NA NA +C09505 Broussin C16H16O3 256.1099 NA KEGG NA NA +C09650 7,4'-Dihydroxy-8-methylflavan C16H16O3 256.1099 NA KEGG NA NA +C10267 Loroglossol C16H16O3 256.1099 NA KEGG NA NA +C10272 Orchinol C16H16O3 256.1099 NA KEGG NA NA +C10287 Pterostilbene C16H16O3 256.1099 NA KEGG NA NA +FL1D19NS0002 2'-Hydroxy-4'-methoxydihydrochalcone;2'-Hydroxy-4'-methoxy-3-phenylpropiophenone C16H16O3 256.10994 22141-31-7 knapsack NA NA +FL1D19NS0003 2'-Methoxy-4'-hydroxydihydrochalcone C16H16O3 256.10994 145544-40-7 knapsack NA NA +FL1DRTNS0006 2-Methoxy-4-hydroxydihydrochalcone C16H16O3 256.10994 196863-37-3 knapsack NA NA +FL6F1ANM0001 7,4'-Dihydroxy-8-methylflavan C16H16O3 256.10994 75412-98-5 knapsack NA NA +FL6F1ANS0001 Broussin C16H16O3 256.10994 76045-50-6 knapsack NA NA +FL6F1ANS0003 4'-Hydroxy-7-methoxyflavan C16H16O3 256.10994 27348-54-5 knapsack NA NA +FL6FA9NS0001 7-Hydroxy-5-methoxyflavan C16H16O3 256.10994 35290-20-1 knapsack NA NA +FLNC29NS0002 Obtusaquinol;(R,S)-2,5-Dihydroxy-4-methoxydalbergiquinol C16H16O3 256.10994 09/07/3527 knapsack NA NA +MJ016778 1-(3,4-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane; 3,4-Methylene, 3'-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016779 1-(3,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane; 3,4-Methylene, 4'-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016780 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3,4'-Di-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016781 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3,5-Di-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016782 17-Methylbothrioclinin C16H16O3 256.109944 NA MeJP NA NA +MJ016783 2,3,5-Phenanthrenetriol; 9,10-Dihydro, 2,3-di-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016784 2,3,5-Phenanthrenetriol; 9,10-Dihydro, 3,5-di-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016785 2,3,7-Phenanthrenetriol; 9,10-Dihydro, 3,7-di-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016786 2,4,7-Phenanthrenetriol; 9,10-Dihydro, 2,4-di-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016787 2,5,6-Phenanthrenetriol; 9,10-Dihydro, 2,6-di-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016788 2,5,6-Phenanthrenetriol; 9,10-Dihydro, 5,6-di-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016789 2-Cyclohexyl-3-hydroxy-1,4-naphthoquinone C16H16O3 256.109944 NA MeJP NA NA +MJ016790 2-Hydroxy-3-prenylnaphthoquinone; Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016791 3,4,5-Phenanthrenetriol; 9,10-Dihydro, 3,4-di-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016792 3-(1,1-Dimethyl-2-propenyl)-6-phenyl-2H-pyran-2,4(3H)-dione C16H16O3 256.109944 NA MeJP NA NA +MJ016793 3-(2,4-Dihydroxyphenyl)-1-phenyl-1-propanone; 2-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016794 3-Hydroxy-4-(4-hydroxyphenyl)-1-phenyl-2-butanone C16H16O3 256.109944 NA MeJP NA NA +MJ016795 3-Phenyl-1,2-propanediol, 2-Benzoyl C16H16O3 256.109944 NA MeJP NA NA +MJ016796 4',7-Dihydroxy-8-methylflavan C16H16O3 256.109944 NA MeJP NA NA +MJ016797 4',7-Dihydroxyflavan, 4'-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016798 4',7-Dihydroxyflavan, 7-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016799 4',7-Dihydroxyhomoisoflavan C16H16O3 256.109944 NA MeJP NA NA +MJ016800 4',7-Dihydroxyisoflavan, 4'-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016801 4',7-Dihydroxyisoflavan, 7-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016802 4,6-Tetradecadiene-8,10,12-triyne-1,3-diol, 3-Ac C16H16O3 256.109944 NA MeJP NA NA +MJ016803 4-(3-Phenyl-2-propenyl)-1,2,3-benzenetriol, 2'-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016804 5,7-Dihydroxyflavan, 5-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016805 5-Methoxy-2(3)-(3-methyl-2-propenyl)-1,4-naphthoquinone C16H16O3 256.109944 NA MeJP NA NA +MJ016806 9,10-Dihydro-2,4,5-trihydroxyphenanthrene; 2,4-Di-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016807 9-Methylcyclolongipesin C16H16O3 256.109944 NA MeJP NA NA +MJ016808 Bothrioclinin; 10-Ethyl homologue C16H16O3 256.109944 NA MeJP NA NA +MJ016809 Cordiachrome G C16H16O3 256.109944 NA MeJP NA NA +MJ016810 Dalbergiphenol, 2-O-De-Me C16H16O3 256.109944 NA MeJP NA NA +MJ016811 Demethylcacalohastine; 3,4-Didehydro, 13-hydroxy, 9-Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016812 Echinofuran; Deacetoxy C16H16O3 256.109944 NA MeJP NA NA +MJ016813 Elaeagin; 1',2'-Didehydro C16H16O3 256.109944 NA MeJP NA NA +MJ016814 Hyperenone A; O-De-Me C16H16O3 256.109944 NA MeJP NA NA +MJ016815 Ichthyothereol, Ac C16H16O3 256.109944 NA MeJP NA NA +MJ016816 Obtusafuran C16H16O3 256.109944 NA MeJP NA NA +MJ016817 Violastyrene; 5-O-De-Me C16H16O3 256.109944 NA MeJP NA NA +MJ016818 Xanthorrhoeol, Me ether C16H16O3 256.109944 NA MeJP NA NA +MJ016819 Xenognosin A C16H16O3 256.109944 NA MeJP NA NA +MetaCyc02305 pterostilbene [] C16H16O3 256.109944 NA metacyc NA NA +CJpos0644 Carnitine derivative [(M+H)]+ (13C) C1113CH18NO5 256.113475 C18rt(min)=4.62 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0644 Carnitine derivative [(M+H)]+ (13C) C1113CH18NO5 256.113475 C18rt(min)=4.62 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C06975 Echothiophate C9H23NO3PS 256.1136 NA KEGG NA NA +MJ016820 Ipramidil C10H16N4O4 256.117155 NA MeJP NA NA +MetaCyc02306 2-(3-carboxy-3-aminopropyl)-L-histidine [2-amino-4-[[4-(2-amino-2-carboxy-ethyl)-1H-imidazol-2-yl]] butanoic acid;] C10H16N4O4 256.117155 NA metacyc NA NA +HMDB11655 2-(3-Carboxy-3-aminopropyl)-L-histidine C10H16N4O4 256.117157 NA HMDB2010 NA NA +PJ000105 TH C10H16N4O4 256.1172 NA PeJP NA NA +MJ016821 4,8-Dihydroxy-1-vinyl-?-carboline; 1',2'-Dihydro, di-Me ether C15H16N2O2 256.121177 NA MeJP NA NA +MJ016822 Albonoursin C15H16N2O2 256.121177 NA MeJP NA NA +MJ016823 Nafagrel C15H16N2O2 256.121177 NA MeJP NA NA +MJ016824 Quinolactacin B C15H16N2O2 256.121177 NA MeJP NA NA +MetaCyc02307 ancymidol [reducymol;A-rest solution;] C15H16N2O2 256.121178 NA metacyc NA NA +MetaCyc02308 ancymidol [] C15H16N2O2 256.121178 NA metacyc NA NA +MJ016825 Thiotetrabarbital C12H20N2O2S 256.124548 NA MeJP NA NA +C14134 Triphenylethylene C20H16 256.1252 NA KEGG NA NA +MJ016826 1-(2,4,5-Trihydroxyphenyl)-1,2-propanediol; 1,2',4',5'-Tetra-Me ether C13H20O5 256.131073 NA MeJP NA NA +MJ016827 1-(2,4,5-Trihydroxyphenyl)-1,2-propanediol; 2,2',4',5'-Tetra-Me ether C13H20O5 256.131073 NA MeJP NA NA +MJ016828 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol C13H20O5 256.131073 NA MeJP NA NA +MJ016829 2,4-Diamino-4'-ethoxyazobenzene C14H16N4O 256.132411 NA MeJP NA NA +MJ016830 Aplysinopsin; 1',8-Dihydro C14H16N4O 256.132411 NA MeJP NA NA +MJ016831 Pulcherriminic acid C12H20N2O4 256.142307 NA MeJP NA NA +MJ016832 2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; 1,3,N8-Tri-Me C13H16N6 256.143644 NA MeJP NA NA +MJ016833 2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; N8,N8,1-Tri-Me C13H16N6 256.143644 NA MeJP NA NA +MJ016834 Paragracine C13H16N6 256.143644 NA MeJP NA NA +MJ016835 Pseudozoanthoxin A; 1,N6,N6-Tri-Me C13H16N6 256.143644 NA MeJP NA NA +MJ016836 Pseudozoanthoxin A; 3,N6,N6-Tri-Me C13H16N6 256.143644 NA MeJP NA NA +MJ016837 Pseudozoanthoxin A; N2,N2,N6-Tri-Me C13H16N6 256.143644 NA MeJP NA NA +C14339 3,3'-Dimethylbisphenol A C17H20O2 256.1463 NA KEGG NA NA +C15206 3,3-Bis(4-hydroxyphenyl)pentane C17H20O2 256.1463 NA KEGG NA NA +MJ016838 1,5-Diphenyl-1,3-pentanediol C17H20O2 256.146329 NA MeJP NA NA +MJ016839 1,8,12,14-Heptadecatetraene-4,6-diyne-3,11-diol C17H20O2 256.146329 NA MeJP NA NA +MJ016840 1,9-Heptadecadiene-4,6-diyne-3,8-diol, Diketone C17H20O2 256.146329 NA MeJP NA NA +MJ016841 17-Hydroxy-5,7,9-heptadecatriene-11,13-diyn-4-one C17H20O2 256.146329 NA MeJP NA NA +MJ016842 2,8,10-Heptadecatriene-4,6-diyne-1,14-diol, 14-Ketone C17H20O2 256.146329 NA MeJP NA NA +MJ016843 2-(3-Methyl-2-butenyl)-1,4-naphthalenediol; Di-Me ether C17H20O2 256.146329 NA MeJP NA NA +MJ016844 5,7,13-Pentadecatriene-9,11-diyn-1-ol, Ac C17H20O2 256.146329 NA MeJP NA NA +MJ016845 6,8,14-Hexadecatrien-10,12-diynoic acid, Me ester C17H20O2 256.146329 NA MeJP NA NA +MJ016846 7,9,15-Heptadecatriene-11,13-diynoic acid C17H20O2 256.146329 NA MeJP NA NA +MJ016847 8-Hydroxy-1,9,16-heptadecatriene-4,6-diyne-3-one C17H20O2 256.146329 NA MeJP NA NA +MetaCyc02309 4,9,13-trimethyltetradeca-2,4,6,8,10,12-hexaene-1,14-dial [] C17H20O2 256.14633 NA metacyc NA NA +MJ016848 Chanoclavine I C16H20N2O 256.157563 NA MeJP NA NA +MJ016849 Fumigaclavine B C16H20N2O 256.157563 NA MeJP NA NA +MJ016850 Huperzine B C16H20N2O 256.157563 NA MeJP NA NA +MJ016851 Huperzinine; N-De-Me C16H20N2O 256.157563 NA MeJP NA NA +MJ016852 Isofumigaclavine A, O-De-Ac C16H20N2O 256.157563 NA MeJP NA NA +MJ016853 Lysergol; 9,10-Dihydro C16H20N2O 256.157563 NA MeJP NA NA +MJ016854 Paliclavine C16H20N2O 256.157563 NA MeJP NA NA +MJ016855 Pseudophrynaminol, 4'-Aldehyde C16H20N2O 256.157563 NA MeJP NA NA +MJ016856 Setoclavine, 9,10?-Dihydro C16H20N2O 256.157563 NA MeJP NA NA +C09131 Chanoclavine-I C16H20N2O 256.1576 NA KEGG NA NA +C09866 Huperzine B C16H20N2O 256.1576 NA KEGG NA NA +3655 NA IKPR 256.1655 MH2+ Inhouse_peptide NA peptide +CJpos0645 Decanoylcarnitine isomer [(M+H)-(NC3H9)]+ C14H25N0O4 256.166875 C18rt(min)=8.74 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0645 Decanoylcarnitine isomer [(M+H)-(NC3H9)]+ C14H25N0O4 256.166875 C18rt(min)=8.74 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ016857 3-Hydroxy-6-isopropyl-3-methyl-9-oxo-4-decenoic acid C14H24O4 256.167459 NA MeJP NA NA +MJ016858 6-Butyl-6-ethyl-4-ethylidene-1,2-dioxan-3-acetic acid C14H24O4 256.167459 NA MeJP NA NA +MJ016859 Nebostinel C13H24N2O3 256.178692 NA MeJP NA NA +C02453 Phenolic steroid C18H24O 256.1827 NA KEGG NA NA +C14239 3-Deoxyestradiol C18H24O 256.1827 NA KEGG NA NA +MJ016860 9,16-Octadecadiene-12,14-diynal C18H24O 256.182715 NA MeJP NA NA +MJ016861 Bakuchiol C18H24O 256.182715 NA MeJP NA NA +MJ016862 Cyclobakuchiol A C18H24O 256.182715 NA MeJP NA NA +MJ016863 Drupanol C18H24O 256.182715 NA MeJP NA NA +MJ016864 Faveline; Deoxo C18H24O 256.182715 NA MeJP NA NA +MJ016865 Montiporyne F C18H24O 256.182715 NA MeJP NA NA +MetaCyc02310 a phenolic steroid [] C18H24O1 256.182715 NA metacyc NA NA +MJ016866 2-(12-Amino-3,7,9-dodecatrienyl)pyridine C17H24N2 256.193948 NA MeJP NA NA +MJ016867 Lycodine; N-Me C17H24N2 256.193948 NA MeJP NA NA +MJ016868 1,2,10-Cadinanetriol C15H28O3 256.203844 NA MeJP NA NA +MJ016869 1,4,11-Eudesmanetriol C15H28O3 256.203844 NA MeJP NA NA +MJ016870 1,4,11-Oppositanetriol C15H28O3 256.203844 NA MeJP NA NA +MJ016871 1,4,6-Eudesmanetriol C15H28O3 256.203844 NA MeJP NA NA +MJ016872 1,4,7-Eudesmanetriol C15H28O3 256.203844 NA MeJP NA NA +MJ016873 1,5,11-Guaianetriol C15H28O3 256.203844 NA MeJP NA NA +MJ016874 11-Bisabolene-7,10,15-triol C15H28O3 256.203844 NA MeJP NA NA +MJ016875 2,4,11-Eudesmanetriol C15H28O3 256.203844 NA MeJP NA NA +MJ016876 3,4,11-Eudesmanetriol C15H28O3 256.203844 NA MeJP NA NA +MJ016877 3,4,14-Daucanetriol C15H28O3 256.203844 NA MeJP NA NA +MJ016878 3,7,11-Trimethyl-10-oxododecanoic acid C15H28O3 256.203844 NA MeJP NA NA +MJ016879 4,5,10-Cadinanetriol C15H28O3 256.203844 NA MeJP NA NA +MJ016880 4,6,10-Guaianetriol C15H28O3 256.203844 NA MeJP NA NA +MJ016881 4,6,11-Eudesmanetriol C15H28O3 256.203844 NA MeJP NA NA +MJ016882 4,8,11-Eudesmanetriol C15H28O3 256.203844 NA MeJP NA NA +MJ016883 5-Hydroxy-11-cyclofarnesanoic acid C15H28O3 256.203844 NA MeJP NA NA +MJ016884 6,7,10-Isodaucanetriol C15H28O3 256.203844 NA MeJP NA NA +MJ016885 7,8,11-Drimanetriol C15H28O3 256.203844 NA MeJP NA NA +MJ016886 7-Hydroxy-4-tetradecenoic acid, Me ether C15H28O3 256.203844 NA MeJP NA NA +MJ016887 8-Hydroxy-4-pentadecenoic acid C15H28O3 256.203844 NA MeJP NA NA +MJ016888 9-Hydroxy-15-bisabolanoic acid C15H28O3 256.203844 NA MeJP NA NA +MJ016889 Chokol E C15H28O3 256.203844 NA MeJP NA NA +MJ016890 Cyclonerodiol oxide C15H28O3 256.203844 NA MeJP NA NA +MJ016891 Cyclonerodiol; 12-Hydroxy C15H28O3 256.203844 NA MeJP NA NA +MJ016892 Ipomeatetrahydrofuran C15H28O3 256.203844 NA MeJP NA NA +MJ016893 18-Nor-4(19),7,15-isopimaratriene C19H28 256.2191 NA MeJP NA NA +MJ016894 8,14-Dimethyl-2,4,6-heptadecatriyne C19H28 256.2191 NA MeJP NA NA +EUR515 12-HPETE F4 F4 256.222025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR515 12-HPETE F4 NA 256.222025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR515 12-HPETE F4 F4 256.222025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR515 12-HPETE F4 NA 256.222025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR515 12-HPETE F4 F4 256.222025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR515 12-HPETE F4 NA 256.222025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR515 12-HPETE F4 F4 256.222025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR515 12-HPETE F4 F4 256.222025 standards wishlist analysés sur QTOF HMDB NA NA +EUR515 12-HPETE F4 F4 256.222025 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR515 12-HPETE F4 NA 256.222025 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR515 12-HPETE F4 F4 256.222025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR515 12-HPETE F4 F4 256.222025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C11076 2-N-Dodecyltetrahydrothiophene C16H32S 256.2225 NA KEGG NA NA +MJ016895 1,1-Decamethylenediguanidine C12H28N6 256.237544 NA MeJP NA NA +C00249 Hexadecanoic acid C16H32O2 256.2402 NA KEGG NA NA +HMDB00220 Palmitic acid C16H32O2 256.24023 http://www.hmdb.ca/metabolites/HMDB00220 PFEM_hmdb_metabocards_urine NA urine +HMDB00220 Palmitic acid C16H32O2 256.24023 http://www.hmdb.ca/metabolites/HMDB00220 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00220 Palmitic acid C16H32O2 256.24023 http://www.hmdb.ca/metabolites/HMDB00220 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00220 Palmitic acid C16H32O2 256.24023 http://www.hmdb.ca/metabolites/HMDB00220 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00220 Palmitic acid C16H32O2 256.24023 http://www.hmdb.ca/metabolites/HMDB00220 HMDB NA NA +HMDB02396 Trimethyltridecanoic acid C16H32O2 256.24023 http://www.hmdb.ca/metabolites/HMDB02396 HMDB NA NA +MJ016896 1-Hydroxy-3-hexadecanone C16H32O2 256.24023 NA MeJP NA NA +MJ016897 1-Tetradecanol; Ac C16H32O2 256.24023 NA MeJP NA NA +MJ016898 10,13-Dimethyltetradecanoic acid C16H32O2 256.24023 NA MeJP NA NA +MJ016899 11-Methylpentadecanoic acid C16H32O2 256.24023 NA MeJP NA NA +MJ016900 13,13-Dimethyltetradecanoic acid C16H32O2 256.24023 NA MeJP NA NA +MJ016901 14-Methylpentadecanoic acid C16H32O2 256.24023 NA MeJP NA NA +MJ016902 2,12-Dimethyltetradecanoic acid C16H32O2 256.24023 NA MeJP NA NA +MJ016903 2,13-Dimethyltetradecanoic acid C16H32O2 256.24023 NA MeJP NA NA +MJ016904 2,4,6-Trimethyltridecanoic acid C16H32O2 256.24023 NA MeJP NA NA +MJ016905 2,4-Dimethyltetradecanoic acid C16H32O2 256.24023 NA MeJP NA NA +MJ016906 3,7-Dimethyl-2-undecanol, Propanoyl C16H32O2 256.24023 NA MeJP NA NA +MJ016907 3-Methylpentadecanoic acid C16H32O2 256.24023 NA MeJP NA NA +MJ016908 4,12-Dimethyltetradecanoic acid C16H32O2 256.24023 NA MeJP NA NA +MJ016909 4,13-Dimethyltetradecanoic acid C16H32O2 256.24023 NA MeJP NA NA +MJ016910 4,8,12-Trimethyltridecanoic acid C16H32O2 256.24023 NA MeJP NA NA +MJ016911 8-Methylpentadecanoic acid C16H32O2 256.24023 NA MeJP NA NA +MJ016912 9,13-Dimethyltetradecanoic acid C16H32O2 256.24023 NA MeJP NA NA +MJ016913 Dodecanoic acid; Butyl ester C16H32O2 256.24023 NA MeJP NA NA +MJ016914 Hexadecanoic acid C16H32O2 256.24023 NA MeJP NA NA +MJ016915 Octanoic acid; Octyl ester C16H32O2 256.24023 NA MeJP NA NA +MJ016916 Palmitate C16H32O2 256.24023 NA MeJP NA NA +MetaCyc02311 palmitate [Hexadecanoate (n-C16:0);palmitic acid;hexadecanoate;] C16H32O2 256.24023 57-10-3 metacyc NA NA +HMDB00220 Palmitic acid C16H32O2 256.24023 http://www.hmdb.ca/metabolites/HMDB00220 PFEM_hmdb_metabocards_blood NA blood +HMDB00220 Palmitic acid C16H32O2 256.24023 HMDB00220 PFEM_hmdb_metabocards_official NA NA +HMDB02396 Trimethyltridecanoic acid C16H32O2 256.24023 HMDB02396 PFEM_hmdb_metabocards_official NA NA +HMDB00220 Palmitic acid C16H32O2 256.240234 NA HMDB2010 NA NA +HMDB02396 Trimethyltridecanoic acid C16H32O2 256.240234 NA HMDB2010 NA NA +MJ016917 Pemerid C15H32N2O 256.251463 NA MeJP NA NA +MJ016918 3,7-Dimethyl-2-pentadecanol C17H36O 256.276615 NA MeJP NA NA +MJ016919 3-Heptadecanol C17H36O 256.276615 NA MeJP NA NA +MJ016920 4-Methyl-7-hexadecanol C17H36O 256.276615 NA MeJP NA NA +MJ016921 6,10,13-Trimethyl-1-tetradecanol C17H36O 256.276615 NA MeJP NA NA +7695 ACE inhibitor from wakame KFYG 256.623 MH2+ Inhouse_peptide NA peptide +HMDB02639 Sulfolithocholylglycine C26H43NO7S 256.6380005 MH2+ Inhouse_peptide NA peptide +MJ016922 7-Bromo-5-chloro-8-hydroxyquinoline C9H5BrClNO 256.924304 NA MeJP NA NA +MJ016923 Romifidine C9H9BrFN3 256.996388 NA MeJP NA NA +MJ016924 5-Bromo-2-hydroxybenzoic acid; Isopropylamide C10H12BrNO2 257.005141 NA MeJP NA NA +MJ016925 Deoxyrubroflavin C9H11N3O2S2 257.029267 NA MeJP NA NA +MJ016926 Pifexole C13H8ClN3O 257.035589 NA MeJP NA NA +MJ016927 4-(2-Aminoethyl)-2-bromophenol; N-Tri-Me C11H17BrNO(+) 257.041526 NA MeJP NA NA +MJ016928 1-Amino-2,3-dihydro-5-phosphono-1H-indene-1-carboxylic acid C10H12NO5P 257.045309 NA MeJP NA NA +JH154 Pantothenic acid [M+K]+ NA 257.0609 6.63 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH154 Pantothenic acid [M+K]+ NA 257.0609 6.63 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH154 Pantothenic acid [M+K]+ NA 257.0609 6.63 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH154 Pantothenic acid [M+K]+ NA 257.0609 6.63 Inhousejuil11 NA NA +MJ016929 Antibiotic SF 2738D C13H11N3OS 257.062282 NA MeJP NA NA +MJ016930 Timoprazole C13H11N3OS 257.062282 NA MeJP NA NA +C11087 Orbencarb C12H16ClNOS 257.0641 NA KEGG NA NA +C14428 Thiobencarb C12H16ClNOS 257.0641 NA KEGG NA NA +CJpos0646 Pantothenic acid [(M+K)]+ C9H17KNO5 257.065975 C18rt(min)=4.77 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0646 Pantothenic acid [(M+K)]+ C9H17KNO5 257.065975 C18rt(min)=4.77 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +C04207 N-Benzoyl-4-hydroxyanthranilate C14H11NO4 257.0688 NA KEGG NA NA +MJ016931 1,2,4-Trimethoxy-3H-phenoxazin-3-one; 4-Demethoxy C14H11NO4 257.068807 NA MeJP NA NA +MJ016932 1,3,5-Trihydroxyacridone; N-Me C14H11NO4 257.068807 NA MeJP NA NA +MJ016933 1,3,8-Trihydroxyacridone; N-Me C14H11NO4 257.068807 NA MeJP NA NA +MJ016934 1,3,8-Trihydroxyacridone; O3-Me C14H11NO4 257.068807 NA MeJP NA NA +MJ016935 1,6,7-Trihydroxy-9H-carbazole-3-carboxaldehyde; 6-Me ether C14H11NO4 257.068807 NA MeJP NA NA +MJ016936 1,7-Dihydroxy-9H-carbazole-3-carboxaldehyde; Carboxylic acid, Me ester C14H11NO4 257.068807 NA MeJP NA NA +MJ016937 2-Benzamidobenzoic acid; 2'-Hydroxy C14H11NO4 257.068807 NA MeJP NA NA +MJ016938 2-Benzamidobenzoic acid; 4-Hydroxy C14H11NO4 257.068807 NA MeJP NA NA +MJ016939 4-Amino-2-hydroxybenzoic acid; N-Benzoyl C14H11NO4 257.068807 NA MeJP NA NA +MJ016940 7,8,9-Trihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 8-Me ether C14H11NO4 257.068807 NA MeJP NA NA +MJ016941 Clausenaquinone A C14H11NO4 257.068807 NA MeJP NA NA +MJ016942 Griffithazanone A C14H11NO4 257.068807 NA MeJP NA NA +MJ016943 Michigazone; 4-Demethoxy C14H11NO4 257.068807 NA MeJP NA NA +MetaCyc02312 N-benzoyl-4-hydroxyanthranilate [] C14H11N1O4 257.068808 NA metacyc NA NA +MJ016944 Etebenecid C11H15NO4S 257.072178 NA MeJP NA NA +C15279 2-Amino-6-(benzylthio)purine C12H11N5S 257.0735 NA KEGG NA NA +MJ016945 3-Amino-N-(aminoiminomethyl)-6-chloro-5-(dimethylamino)pyrazinecarboxamide C8H12ClN7O 257.079185 NA MeJP NA NA +C13753 6-Chloro-3,5-diaminopyrazine-3-carboxamide C8H12ClN7O 257.0792 NA KEGG NA NA +C13754 Transferred to D02135 C8H12ClN7O 257.0792 NA KEGG NA NA +C13755 Transferred to D02136 C8H12ClN7O 257.0792 NA KEGG NA NA +MJ016946 Tezacitabine C10H12FN3O4 257.081184 NA MeJP NA NA +MJ016947 Meclofenoxate C12H16ClNO3 257.081871 NA MeJP NA NA +C08195 Meclofenoxate C12H16ClNO3 257.0819 NA KEGG NA NA +C08196 Transferred to D00994 C12H16ClNO3 257.0819 NA KEGG NA NA +C13534 Hydrocotarnine hydrochloride C12H15NO3 257.0819 NA KEGG NA NA +C13535 Transferred to D02032 C12H15NO3 257.0819 NA KEGG NA NA +C13536 Transferred to D02033 C12H15NO3 257.0819 NA KEGG NA NA +C13537 Transferred to D02034 C12H15NO3 257.0819 NA KEGG NA NA +C13538 Transferred to D02035 C12H15NO3 257.0819 NA KEGG NA NA +C13539 Transferred to D02036 C12H15NO3 257.0819 NA KEGG NA NA +CJneg0472 Pantothenic acid [(M+Cl)]- (37Cl) C9H17Cl037ClNO5 257.084925 C18rt(min)=4.77 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0472 Pantothenic acid [(M+Cl)]- (37Cl) C9H17Cl037ClNO5 257.084925 C18rt(min)=4.77 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ016948 Nicotinate D-ribonucleoside C11H15NO6 257.089937 NA MeJP NA NA +MJ016949 1H-Pyrrole-2-carboxylic acid; ?-L-Rhamnopyranosyl ester C11H15NO6 257.089937 NA MeJP NA NA +MJ016950 Dioxolamycin C11H15NO6 257.089937 NA MeJP NA NA +HMDB00982 5-Methylcytidine C10H15N3O5 257.101166 NA HMDB2010 NA NA +HMDB00982 5-Methylcytidine C10H15N3O5 257.10117 http://www.hmdb.ca/metabolites/HMDB00982 PFEM_hmdb_metabocards_urine NA urine +HMDB00982 5-Methylcytidine C10H15N3O5 257.10117 http://www.hmdb.ca/metabolites/HMDB00982 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00982 5-Methylcytidine C10H15N3O5 257.10117 http://www.hmdb.ca/metabolites/HMDB00982 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00982 5-Methylcytidine C10H15N3O5 257.10117 http://www.hmdb.ca/metabolites/HMDB00982 HMDB NA NA +MJ016951 5(4H)-Isoxazolone; 2H-Oxo-form, N-(?-Glutaminylaminoethyl) C10H15N3O5 257.10117 NA MeJP NA NA +MJ016952 5-Methylcytidine C10H15N3O5 257.10117 NA MeJP NA NA +MJ016953 Benserazide C10H15N3O5 257.10117 NA MeJP NA NA +MJ016954 Cytidine; 2'-Me C10H15N3O5 257.10117 NA MeJP NA NA +MJ016955 Cytidine; 3N-Me C10H15N3O5 257.10117 NA MeJP NA NA +MJ016956 Pyroglutaminylglutamine C10H15N3O5 257.10117 NA MeJP NA NA +HMDB00982 5-Methylcytidine C10H15N3O5 257.10117 HMDB00982 PFEM_hmdb_metabocards_official NA NA +HMDB00086 Glycerophosphocholine C8H20NO6P 257.10281 http://www.hmdb.ca/metabolites/HMDB00086 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00086 Glycerophosphocholine C8H20NO6P 257.10281 http://www.hmdb.ca/metabolites/HMDB00086 HMDB NA NA +HMDB00086 Glycerophosphocholine C8H20NO6P 257.10281 NA ;SYN:(2S)-2-Acetylamino-3-(4-hydroxyphenyl)propanoate; (2S)-2-Acetylamino-3-(4-hydroxyphenyl)propanoic acid; L-N-Acetyltyrosine; L-N-acetyl-Tyrosine; N-Acetyl-L-tyrosine; N-Acetyl-tyrosine; N-Acetyltyrosine; N-acetyl-4-hydroxyphenylalanineH2Blood; Urine Inhouse_peptide NA peptide +HMDB00086 Glycerophosphocholine C8H20NO6P 257.10281 http://www.hmdb.ca/metabolites/HMDB00086 PFEM_hmdb_metabocards_blood NA blood +HMDB00086 Glycerophosphocholine C8H20NO6P 257.10281 HMDB00086 PFEM_hmdb_metabocards_official NA NA +HMDB00086 Glycerophosphocholine C8H20NO6P 257.102814 NA HMDB2010 NA NA +MJ016957 Choline; Theophylline salt (1:1) C8H20NO6P 257.102823 NA MeJP NA NA +MJ016958 Glycerylphosphorylcholine C8H20NO6P 257.102823 NA MeJP NA NA +MJ016959 4-(2-Aminoethyl)phenol; N-(2-Hydroxybenzoyl) C15H15NO3 257.105193 NA MeJP NA NA +MJ016960 Antibiotic TMC 120A; 2-Hydroxy C15H15NO3 257.105193 NA MeJP NA NA +MJ016961 Carbazomycin G C15H15NO3 257.105193 NA MeJP NA NA +MJ016962 Flindersine; 5-Methoxy C15H15NO3 257.105193 NA MeJP NA NA +MJ016963 Flindersine; 6-Methoxy C15H15NO3 257.105193 NA MeJP NA NA +MJ016964 Flindersine; 7-Methoxy C15H15NO3 257.105193 NA MeJP NA NA +MJ016965 Flindersine; 8-Methoxy C15H15NO3 257.105193 NA MeJP NA NA +MJ016966 Flindersine; N-Hydroxymethyl C15H15NO3 257.105193 NA MeJP NA NA +MJ016967 Ismine C15H15NO3 257.105193 NA MeJP NA NA +MJ016968 N-(4-Ethoxyphenyl)-2-hydroxybenzamide C15H15NO3 257.105193 NA MeJP NA NA +MJ016969 Palasimide C15H15NO3 257.105193 NA MeJP NA NA +MJ016970 Tolmetin C15H15NO3 257.105193 NA MeJP NA NA +C07149 Tolmetin C15H15NO3 257.1052 NA KEGG NA NA +C07150 Transferred to D00381 C15H15NO3 257.1052 NA KEGG NA NA +C12181 Ismine C15H15NO3 257.1052 NA KEGG NA NA +MJ016971 9-(2-Fluorobenzyl)-6-methylamino-9H-purine C13H12FN5 257.107673 NA MeJP NA NA +MJ016972 Lemidosul C12H19NO3S 257.108564 NA MeJP NA NA +HMDB00942 Tetrahydroneopterin C9H15N5O4 257.112396 NA HMDB2010 NA NA +HMDB02281 4a-Hydroxytetrahydrobiopterin C9H15N5O4 257.112396 NA HMDB2010 NA NA +HMDB00942 Tetrahydroneopterin C9H15N5O4 257.1124 http://www.hmdb.ca/metabolites/HMDB00942 HMDB NA NA +HMDB02281 4a-peroxy-tetrahydrobiopterin C9H15N5O4 257.1124 http://www.hmdb.ca/metabolites/HMDB02281 HMDB NA NA +C15522 4a-Hydroxytetrahydrobiopterin C9H15N5O4 257.1124 NA KEGG NA NA +HMDB00942 Tetrahydroneopterin C9H15N5O4 257.1124 HMDB00942 PFEM_hmdb_metabocards_official NA NA +HMDB02281 4a-peroxy-tetrahydrobiopterin C9H15N5O4 257.1124 HMDB02281 PFEM_hmdb_metabocards_official NA NA +MJ016973 2-Amino-6-(1,2,3-trihydroxypropyl)-4(1H)-pteridinone, 5,6R,7,8-Tetrahydro C9H15N5O4 257.112403 NA MeJP NA NA +MetaCyc02313 4α-hydroxy-tetrahydrobiopterin [4α-hydroxy-5,6,7,8-tetrahydrobiopterin;4α-hydroxy-tetrahydropterin;6R)-6-(L-erythro-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4α-hydroxypterin;] C9H15N5O4 257.112404 NA metacyc NA NA +MJ016974 Antibiotic NP 522 C14H15N3O2 257.116426 NA MeJP NA NA +MJ016975 Cyclo(alanyltryptophyl) C14H15N3O2 257.116426 NA MeJP NA NA +MJ016976 Indolidan C14H15N3O2 257.116426 NA MeJP NA NA +MJ016977 Indolmycin C14H15N3O2 257.116426 NA MeJP NA NA +MetaCyc02314 indolmycin [indolemycin;PA155A;] C14H15N3O2 257.116427 NA metacyc NA NA +MJ016978 Carmofur C11H16FN3O3 257.117569 NA MeJP NA NA +MJ016979 Fenisorex C16H16FNO 257.121592 NA MeJP NA NA +3375 ACE inhibitor AAP 257.126 celiac toxic Inhouse_peptide NA peptide +PJ000106 AAP C11H19N3O4 257.1376 NA PeJP NA NA +MJ016980 8-Azabicyclo[3.2.1]octan-3-ol, O-Cinnamoyl (E-) C16H19NO2 257.141578 NA MeJP NA NA +MJ016981 Apoatropine; N-De-Me C16H19NO2 257.141578 NA MeJP NA NA +MJ016982 Atanine; N-Me C16H19NO2 257.141578 NA MeJP NA NA +MJ016983 Cocculine; O-De-Me C16H19NO2 257.141578 NA MeJP NA NA +MJ016984 Coumaperine C16H19NO2 257.141578 NA MeJP NA NA +MJ016985 Dehydrojoubertiamine C16H19NO2 257.141578 NA MeJP NA NA +MJ016986 Elaeocarpine C16H19NO2 257.141578 NA MeJP NA NA +MJ016987 Medifoxamine C16H19NO2 257.141578 NA MeJP NA NA +C10591 (+)-Elaeocarpine C16H19NO2 257.1416 NA KEGG NA NA +C12243 (+/-)-gamma-Lycorane C16H19NO2 257.1416 NA KEGG NA NA +MJ016988 8-Methyl-3-(4-methyl-1-piperazinyl)-2(1H)-quinolinone C15H19N3O 257.152812 NA MeJP NA NA +5476 antimicrobial peptide from cathepsin G (human) IIGGR 257.1555 MH2+ Inhouse_peptide NA peptide +HMDB13161 2-Hexenoylcarnitine C13H23NO4 257.16272 NA HMDB2010 NA NA +MJ016989 Antibiotic TAN 1054; Antibiotic TAN 1054A C12H23N3O3 257.173941 NA MeJP NA NA +MJ016990 Antibiotic TAN 1054; Antibiotic TAN 1054B C12H23N3O3 257.173941 NA MeJP NA NA +MJ016991 12-(3-Pyridinyl)-4,6,11-dodecatrien-2-ol C17H23NO 257.177964 NA MeJP NA NA +MJ016992 12-(3-Pyridinyl)-4,6,8-dodecatrien-2-ol C17H23NO 257.177964 NA MeJP NA NA +MJ016993 12-(3-Pyridinyl)-5,8,10-dodecatrien-2-ol C17H23NO 257.177964 NA MeJP NA NA +MJ016994 17-Methylmorphinan-3-ol C17H23NO 257.177964 NA MeJP NA NA +MJ016995 2,4-Dodecadiene-8,10-diynoic acid, 2-Methylbutylamide C17H23NO 257.177964 NA MeJP NA NA +MJ016996 2,7-Tridecadiene-10,12-diynoic acid, 2-Methylpropylamide C17H23NO 257.177964 NA MeJP NA NA +MJ016997 2-(2-Heptenyl)-3-methyl-4(1H)-quinolinone, 2',3'-Dihydro C17H23NO 257.177964 NA MeJP NA NA +MJ016998 2-Allyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan C17H23NO 257.177964 NA MeJP NA NA +MJ016999 2-Heptyl-4-hydroxyquinoline; NH-form, N-Me C17H23NO 257.177964 NA MeJP NA NA +MJ017000 2-Heptyl-4-hydroxyquinoline; OH-form, Me ether C17H23NO 257.177964 NA MeJP NA NA +MJ017001 Darlingianine C17H23NO 257.177964 NA MeJP NA NA +MJ017002 Montiporyne E C17H23NO 257.177964 NA MeJP NA NA +MJ017003 Pirandamine C17H23NO 257.177964 NA MeJP NA NA +C08014 Levorphanol C17H23NO 257.178 NA KEGG NA NA +C08015 Transferred to D00841 C17H23NO 257.178 NA KEGG NA NA +C08017 Transferred to D00843 C17H23NO 257.178 NA KEGG NA NA +MJ017004 4,5-Dihydroxy-2-decenoic acid, (2-Methylpropyl)amide C14H27NO3 257.199093 NA MeJP NA NA +MJ017005 9-Tetradecen-1-ol, Nitrate C14H27NO3 257.199093 NA MeJP NA NA +MJ017006 2-(2-Hydroxybutyl)-6-(2-hydroxypentyl)-1-methylpiperidine C15H31NO2 257.235479 NA MeJP NA NA +MJ017007 Andrachamine C15H31NO2 257.235479 NA MeJP NA NA +C11091 Hexachloro-1,3-butadiene C4Cl6 257.8131 NA KEGG NA NA +MJ017008 Kaolinite Al2H4O9Si2 257.902461 NA MeJP NA NA +HMDB12282 PPPi H5O10P3 257.909546 NA HMDB2010 NA NA +MJ017009 Trimetaphosphate H5O10P3 257.909555 NA MeJP NA NA +MJ017010 Triphosphate H5O10P3 257.909555 NA MeJP NA NA +MetaCyc02315 PPPi [Inorganic triphosphate;tripolyphosphate;triphosphate;inorganic open chain tripolyphosphate;P3,i;] H5O10P3 257.909556 7758-29-4 metacyc NA NA +C00536 Triphosphate P3H5O10 257.9096 NA KEGG NA NA +C00538 2-Oxoaldehyde C2HO2R 257.9096 NA KEGG NA NA +MJ017011 Gallium citrate C6H5GaO7 257.929108 NA MeJP NA NA +MJ017012 4,7-Dialkyl-1,2,3,5,6-pentathiepanes; 4-Methyl-7-(2-methylpropyl)-1,2,3,5,6-pentathiepane C7H14S5 257.969903 NA MeJP NA NA +MJ017013 2-(1-Iodoethyl)-1,3-dioxolane-4-methanol C6H11IO3 257.975287 NA MeJP NA NA +MJ017014 3-[5-[3-(3-Oxo-2-thiatenylidene)-1-propynyl]-2-thienyl]-2-propynal C13H6O2S2 257.98092 NA MeJP NA NA +MJ017015 6-Ethoxy-2-benzothiazolesulfonamide C9H10N2O3S2 258.013283 NA MeJP NA NA +MJ017016 D-Glucono-1,5-lactone 6-phosphate C6H11O9P 258.014068 NA MeJP NA NA +MJ017017 2-Dehydro-3-deoxy-6-phospho-D-gluconate C6H11O9P 258.014068 NA MeJP NA NA +MJ017018 2-Dehydro-3-deoxy-D-galactonate 6-phosphate C6H11O9P 258.014068 NA MeJP NA NA +MJ017019 2-Deoxy-5-keto-D-gluconic acid 6-phosphate C6H11O9P 258.014068 NA MeJP NA NA +MetaCyc02316 2-dehydro-3-deoxy-D-galactonate-6-phosphate [2-keto-3-deoxy-D-galactonate-6-phosphate;] C6H11O9P1 258.014068 32120-43-7 metacyc NA NA +MetaCyc02317 D-glucono-δ-lactone-6-phosphate [6-phosphogluconolactone;D-6-phosphoglucono-δ-lactone;D-6-P-glucono-δ-lactone;D-glucono-1,5-lactone-6-phosphate;6-phospho-D-glucono-1,5-lactone;D-6-phospho-glucono-δ-lactone;] C6H11O9P1 258.014068 2641-81-8 metacyc NA NA +MetaCyc02318 methanofuran biosynththesis intermediate MF2 [] C6H11O9P1 258.014068 NA metacyc NA NA +MetaCyc02319 5-dehydro-2-deoxy-D-gluconate 6-phosphate [6-phospho-5-dehydro-2-deoxy-D-gluconate;2-deoxy-5-keto-D-gluconate 6-phosphate;2-deoxy-5-keto-D-gluconic acid 6-phosphate;] C6H11O9P1 258.014068 NA metacyc NA NA +MetaCyc02320 2-keto-3-deoxy-6-phospho-gluconate [2-dehydro-3-deoxy-D-gluconate-6-phosphate;2-dehydro-3-deoxy-6-phospho-D-gluconate;6-phospho-2-dehydro-3-deoxy-D-gluconate;2-keto-3-deoxy-6-phosphogluconate;2-keto-3-deoxy-6-P-gluconate;6-p-2-k-3-deo-gluconate;6-phospho-2-keto-3-deoxygluconate;6-phospho-2-dehydro-3-deoxygluconate;2-keto-3-deoxygluconate-6-P;] C6H11O9P1 258.014068 27244-54-8 metacyc NA NA +HMDB01127 6-Phosphonoglucono-D-lactone C6H11O9P 258.014069 NA HMDB2010 NA NA +HMDB01376 2-Keto-3-deoxy-6-phosphogluconic acid C6H11O9P 258.014069 NA HMDB2010 NA NA +HMDB01127 6-Phosphonoglucono-D-lactone C6H11O9P 258.01407 http://www.hmdb.ca/metabolites/HMDB01127 HMDB NA NA +HMDB01376 2-Keto-3-deoxy-6-phosphogluconic acid C6H11O9P 258.01407 http://www.hmdb.ca/metabolites/HMDB01376 HMDB NA NA +HMDB01127 6-Phosphonoglucono-D-lactone C6H11O9P 258.01407 HMDB01127 PFEM_hmdb_metabocards_official NA NA +HMDB01376 2-Keto-3-deoxy-6-phosphogluconic acid C6H11O9P 258.01407 HMDB01376 PFEM_hmdb_metabocards_official NA NA +C01236 D-Glucono-1,5-lactone 6-phosphate C6H11O9P 258.0141 NA KEGG NA NA +C01237 Enoyl-[acyl-carrier protein] C6H11O9P 258.0141 NA KEGG NA NA +C01286 2-Dehydro-3-deoxy-D-galactonate 6-phosphate C6H11O9P 258.0141 NA KEGG NA NA +C01288 N-Acetyl-D-glucosaminylphosphatidylinositol C19H30NO18PR2 258.0141 NA KEGG NA NA +C04442 2-Dehydro-3-deoxy-6-phospho-D-gluconate C6H11O9P 258.0141 NA KEGG NA NA +C04456 6-Phospho-5-dehydro-2-deoxy-D-gluconate C6H11O9P 258.0141 NA KEGG NA NA +C04457 D-Alanyl-alanyl-poly(glycerolphosphate) H2O 258.0141 NA KEGG NA NA +C06893 2-Deoxy-5-keto-D-gluconic acid 6-phosphate C6H11O9P 258.0141 NA KEGG NA NA +MJ017020 3-Formyl-2,4-dihydroxy-6-methylbenzoic acid; 5-Chloro, Et ester C11H11ClO5 258.029501 NA MeJP NA NA +MJ017021 Lofexidine C11H12Cl2N2O 258.032668 NA MeJP NA NA +MJ017022 1,4:6,3-Glucarodilactone, Di-Ac C10H10O8 258.037567 NA MeJP NA NA +MJ017023 1-Chloro-3-tridecene-5,7,9,11-tetrayn-2-ol, Ac C15H11ClO2 258.044757 NA MeJP NA NA +MJ017024 2-Chloro-3-tridecene-5,7,9,11-tetrayn-1-ol, Ac C15H11ClO2 258.044757 NA MeJP NA NA +MJ017025 Cloridarol C15H11ClO2 258.044757 NA MeJP NA NA +C10066 Gentisin C14H10O5 258.0528 NA KEGG NA NA +C10070 Isogentisin C14H10O5 258.0528 NA KEGG NA NA +C10081 Mesuaxanthone A C14H10O5 258.0528 NA KEGG NA NA +C10087 Norlichexanthone C14H10O5 258.0528 NA KEGG NA NA +C10362 Kigelinone C14H10O5 258.0528 NA KEGG NA NA +C16838 Alternariol C14H10O5 258.0528 NA KEGG NA NA +C17671 Norrubrofusarin C14H10O5 258.0528 NA KEGG NA NA +MJ017026 1,2,3-Trihydroxyxanthone; 1-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017027 1,2,3-Trihydroxyxanthone; 2-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017028 1,2,5,7-Tetrahydroxy-9H-fluoren-9-one; 7-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017029 1,2,5-Trihydroxyxanthone; 1-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017030 1,2,5-Trihydroxyxanthone; 2-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017031 1,2,7-Trihydroxyxanthone; 1-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017032 1,2,8-Trihydroxyxanthone; 1-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017033 1,3,5-Trihydroxyxanthone; 1-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017034 1,3,5-Trihydroxyxanthone; 3-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017035 1,3,6-Trihydroxy-8-methylxanthone C14H10O5 258.052823 NA MeJP NA NA +MJ017036 1,3,7-Trihydroxyxanthone; 3-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017037 1,3,7-Trihydroxyxanthone; 7-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017038 1,3,8-Trihydroxyxanthone; 3-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017039 1,4,7-Trihydroxyxanthone; 4-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017040 1,4,8-Trihydroxy-3-methylxanthone C14H10O5 258.052823 NA MeJP NA NA +MJ017041 1,4,8-Trihydroxyxanthone; 1-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017042 1,5,6-Trihydroxyxanthone; 5-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017043 1,5,6-Trihydroxyxanthone; 6-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017044 1,5,8-Trihydroxy-3-methylxanthone C14H10O5 258.052823 NA MeJP NA NA +MJ017045 1,6,7-Trihydroxyxanthone; 6-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017046 1,6,7-Trihydroxyxanthone; 7-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017047 2,3,4-Trihydroxyxanthone; 2-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017048 2,3,6-Trihydroxyxanthone; 2-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017049 2,3,7-Trihydroxyxanthone; 3-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017050 2,7-Dihydroxy-9-methyl-4-dibenzofurancarboxylic acid C14H10O5 258.052823 NA MeJP NA NA +MJ017051 2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde C14H10O5 258.052823 NA MeJP NA NA +MJ017052 2-(3,5-Dihydroxyphenyl)-5,6-dihydroxybenzofuran C14H10O5 258.052823 NA MeJP NA NA +MJ017053 2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione; 1'?-Alcohol C14H10O5 258.052823 NA MeJP NA NA +MJ017054 3,4,5-Trihydroxyxanthone; 3-Me ether C14H10O5 258.052823 NA MeJP NA NA +MJ017055 4,8,10-Trihydroxy-5-methyl-2H-naphtho[1,2-b]pyran-2-one C14H10O5 258.052823 NA MeJP NA NA +MJ017056 5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one C14H10O5 258.052823 NA MeJP NA NA +MJ017057 5-Hydroxy-3-methylnaphtho[2,3-c]furan-4(9H)-one; 8-Hydroxy, 9-oxo, 5-Me ether or 8-methoxy, 9-oxo C14H10O5 258.052823 NA MeJP NA NA +MJ017058 Alternariol C14H10O5 258.052823 NA MeJP NA NA +MJ017059 Anhydrofusarubin; 6-Deoxy, O-de-Me C14H10O5 258.052823 NA MeJP NA NA +MJ017060 Hydroxycyperaquinone C14H10O5 258.052823 NA MeJP NA NA +MJ017061 Kigelinone C14H10O5 258.052823 NA MeJP NA NA +MJ017062 Ptaeroxylone C14H10O5 258.052823 NA MeJP NA NA +MJ017063 Salicyloylsalicylic acid C14H10O5 258.052823 NA MeJP NA NA +MJ017064 Fopirtoline C11H15ClN2OS 258.059361 NA MeJP NA NA +C03177 Streptamine phosphate C6H15N2O7P 258.0617 NA KEGG NA NA +C03433 Streptamine 4-phosphate C6H15N2O7P 258.0617 NA KEGG NA NA +MJ017065 1,6-Phenazinediol; Mono-Me ether, 5,10-dioxide C13H10N2O4 258.064056 NA MeJP NA NA +MJ017066 2-Phthalimidoglutarimide C13H10N2O4 258.064056 NA MeJP NA NA +MJ017067 Sarubicin B C13H10N2O4 258.064056 NA MeJP NA NA +C07910 Thalidomide C13H10N2O4 258.0641 NA KEGG NA NA +C17369 Northienamycin C10H14N2O4S 258.0674 NA KEGG NA NA +MJ017068 Northienamycin C10H14N2O4S 258.067427 NA MeJP NA NA +CJpos0647 Pantothenic acid [(M+K)]+ (13C) C813CH17KNO5 258.069375 C18rt(min)=4.77 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0647 Pantothenic acid [(M+K)]+ (13C) C813CH17KNO5 258.069375 C18rt(min)=4.77 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ017069 Posoquenin C11H14O7 258.073952 NA MeJP NA NA +MJ017070 Sulnidazole C9H14N4O3S 258.078661 NA MeJP NA NA +PJ000107 CH C9H14N4O3S 258.0787 NA PeJP NA NA +MJ017071 Arnoamine A C17H10N2O 258.079312 NA MeJP NA NA +CJpos0648 Oxoproline [(2M+H)]+ C10H15N2O6 258.084675 C18rt(min)=1.05 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0648 Oxoproline [(2M+H)]+ C10H15N2O6 258.084675 C18rt(min)=1.05 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB00884 Ribothymidine C10H14N2O6 258.085175 NA HMDB2010 NA NA +HMDB02331 Imidazoleacetic acid riboside C10H14N2O6 258.085175 NA HMDB2010 NA NA +HMDB04813 3-Methyluridine C10H14N2O6 258.085175 NA HMDB2010 NA NA +MJ017072 1-Arabinofuranosylthymine; ?-D-form C10H14N2O6 258.085186 NA MeJP NA NA +MJ017073 Pseudouridine C; 1-Me C10H14N2O6 258.085186 NA MeJP NA NA +MJ017074 Pseudouridine C; 3-Me C10H14N2O6 258.085186 NA MeJP NA NA +MJ017075 Uridine; 2'-Me C10H14N2O6 258.085186 NA MeJP NA NA +MJ017076 Uridine; N-Me C10H14N2O6 258.085186 NA MeJP NA NA +MJ017077 (1-Ribosylimidazole)-4-acetate C10H14N2O6 258.085186 NA MeJP NA NA +C05131 (1-Ribosylimidazole)-4-acetate C10H14N2O6 258.0852 NA KEGG NA NA +C16744 Spongothymidine C10H14N2O6 258.0852 NA KEGG NA NA +HMDB00884 Ribothymidine C10H14N2O6 258.08521 http://www.hmdb.ca/metabolites/HMDB00884 PFEM_hmdb_metabocards_urine NA urine +HMDB04813 3-Methyluridine C10H14N2O6 258.08521 http://www.hmdb.ca/metabolites/HMDB04813 PFEM_hmdb_metabocards_urine NA urine +HMDB00884 Ribothymidine C10H14N2O6 258.08521 http://www.hmdb.ca/metabolites/HMDB00884 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00884 Ribothymidine C10H14N2O6 258.08521 http://www.hmdb.ca/metabolites/HMDB00884 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04813 3-Methyluridine C10H14N2O6 258.08521 http://www.hmdb.ca/metabolites/HMDB04813 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00884 Ribothymidine C10H14N2O6 258.08521 http://www.hmdb.ca/metabolites/HMDB00884 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04813 3-Methyluridine C10H14N2O6 258.08521 http://www.hmdb.ca/metabolites/HMDB04813 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00884 Ribothymidine C10H14N2O6 258.08521 http://www.hmdb.ca/metabolites/HMDB00884 HMDB NA NA +HMDB02331 Imidazoleacetic acid riboside C10H14N2O6 258.08521 http://www.hmdb.ca/metabolites/HMDB02331 HMDB NA NA +HMDB04813 3-Methyluridine C10H14N2O6 258.08521 http://www.hmdb.ca/metabolites/HMDB04813 HMDB NA NA +HMDB00884 Ribothymidine C10H14N2O6 258.08521 http://www.hmdb.ca/metabolites/HMDB00884 PFEM_hmdb_metabocards_blood NA blood +HMDB00884 Ribothymidine C10H14N2O6 258.08521 HMDB00884 PFEM_hmdb_metabocards_official NA NA +HMDB02331 Imidazoleacetic acid riboside C10H14N2O6 258.08521 HMDB02331 PFEM_hmdb_metabocards_official NA NA +HMDB04813 3-Methyluridine C10H14N2O6 258.08521 HMDB04813 PFEM_hmdb_metabocards_official NA NA +HMDB04629 O-Desmethylangolensin C15H14O4 258.0892 http://www.hmdb.ca/metabolites/HMDB04629 PFEM_hmdb_metabocards_urine NA urine +HMDB04629 O-Desmethylangolensin C15H14O4 258.0892 http://www.hmdb.ca/metabolites/HMDB04629 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04629 O-Desmethylangolensin C15H14O4 258.0892 http://www.hmdb.ca/metabolites/HMDB04629 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04629 O-Desmethylangolensin C15H14O4 258.0892 http://www.hmdb.ca/metabolites/HMDB04629 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04629 O-Desmethylangolensin C15H14O4 258.0892 http://www.hmdb.ca/metabolites/HMDB04629 HMDB NA NA +C08465 Wyerone C15H14O4 258.0892 NA KEGG NA NA +C09273 Luvangetin C15H14O4 258.0892 NA KEGG NA NA +C09283 Peucedanin C15H14O4 258.0892 NA KEGG NA NA +C09618 Davidigenin C15H14O4 258.0892 NA KEGG NA NA +C09980 Yangonin C15H14O4 258.0892 NA KEGG NA NA +C10268 Lunularic acid C15H14O4 258.0892 NA KEGG NA NA +C10352 Hibiscoquinone A C15H14O4 258.0892 NA KEGG NA NA +C13633 2,2-Bis(4-hydroxyphenyl)-propanoic acid C15H14O4 258.0892 NA KEGG NA NA +C14115 Naphthyl-2-methyl-succinic acid C15H14O4 258.0892 NA KEGG NA NA +C16929 Catalpalactone C15H14O4 258.0892 NA KEGG NA NA +FL1D1ANS0001 Davidigenin C15H14O4 258.0892 23130-26-9 knapsack NA NA +FL1DA9NS0001 2',4',6'-Trihydroxydihydrochalcone;3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone C15H14O4 258.0892 1088-08-0 knapsack NA NA +FL1DRTNS0007 2,4,4'-Trihydroxydihydrochalcone C15H14O4 258.0892 15097-74-2 knapsack NA NA +FL631ANS0001 Guibourtinidol;(2R,3S)-4',7-Dihydroxyflavan-3-ol C15H14O4 258.0892 251909-54-3 knapsack NA NA +FL63A9NS0001 Epidistenin C15H14O4 258.0892 120693-54-1 knapsack NA NA +FL6FAANS0001 Apigeniflavan C15H14O4 258.0892 530-82-5 knapsack NA NA +FLIC1LNS0004 Demethylvestitol;7,2',4'-Trihydroxyisoflavan C15H14O4 258.0892 65332-45-8 knapsack NA NA +HMDB04629 O-Desmethylangolensin C15H14O4 258.0892 http://www.hmdb.ca/metabolites/HMDB04629 PFEM_hmdb_metabocards_blood NA blood +HMDB04629 O-Desmethylangolensin C15H14O4 258.0892 HMDB04629 PFEM_hmdb_metabocards_official NA NA +HMDB04629 O-Desmethylangolensin C15H14O4 258.089203 NA HMDB2010 NA NA +MJ017078 1(10),3-Guaiadiene-12,6:14,2-diolide, 11,13-Didehydro C15H14O4 258.089208 NA MeJP NA NA +MJ017079 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone C15H14O4 258.089208 NA MeJP NA NA +MJ017080 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3'-Me ether C15H14O4 258.089208 NA MeJP NA NA +MJ017081 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 4'-Me ether C15H14O4 258.089208 NA MeJP NA NA +MJ017082 1-(3-Hydroxyphenyl)-2-(2,3,4-trihydroxyphenyl)ethylene; 2-Me ether C15H14O4 258.089208 NA MeJP NA NA +MJ017083 1-(3-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Methylene ether C15H14O4 258.089208 NA MeJP NA NA +MJ017084 2',4',7-Trihydroxyisoflavan C15H14O4 258.089208 NA MeJP NA NA +MJ017085 2,3,4,7-Phenanthrenetetrol; 9,10-Dihydro, 4-Me ether C15H14O4 258.089208 NA MeJP NA NA +MJ017086 2,3,5,7-Phenanthrenetetrol; 9,10-Dihydro, 5-Me ether C15H14O4 258.089208 NA MeJP NA NA +MJ017087 2,4,5,9-Phenanthrenetetrol; 9,10-Dihydro, 4-Me ether C15H14O4 258.089208 NA MeJP NA NA +MJ017088 2,4,6-Trihydroxybenzophenone; 2,4-Di-Me ether C15H14O4 258.089208 NA MeJP NA NA +MJ017089 2,5-Dihydroxy-3-prenylnaphthoquinone C15H14O4 258.089208 NA MeJP NA NA +MJ017090 2,6-Dihydroxybenzoic acid; Mono-Me ether, benzyl ester C15H14O4 258.089208 NA MeJP NA NA +MJ017091 2,9-Dioxo-1(10),3,11(13)-guaiatrien-12,6-olide C15H14O4 258.089208 NA MeJP NA NA +MJ017092 2-Methoxy-6-(2-phenylethenyl)-4H-1-pyran-4-one; 4'-Methoxy C15H14O4 258.089208 NA MeJP NA NA +MJ017093 2-Methyl-1,4-naphthalenediol; Di-Ac C15H14O4 258.089208 NA MeJP NA NA +MJ017094 3,4',7-Trihydroxyflavan C15H14O4 258.089208 NA MeJP NA NA +MJ017095 3,4,4'-Trihydroxyflavan C15H14O4 258.089208 NA MeJP NA NA +MJ017096 3,4-Dihydro-3,5,7-trihydroxy-9-methyl-1(2H)-anthracenone C15H14O4 258.089208 NA MeJP NA NA +MJ017097 3,4-Dihydro-4,6,9-trihydroxy-8-methyl-1(2H)-anthracenone C15H14O4 258.089208 NA MeJP NA NA +MJ017098 3,5,7-Trihydroxyflavan C15H14O4 258.089208 NA MeJP NA NA +MJ017099 3-(2,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-propanone C15H14O4 258.089208 NA MeJP NA NA +MJ017100 3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone C15H14O4 258.089208 NA MeJP NA NA +MJ017101 4',5,7-Trihydroxyflavan C15H14O4 258.089208 NA MeJP NA NA +MJ017102 4-Methoxy-?-oxo-1-naphthalenebutanoic acid C15H14O4 258.089208 NA MeJP NA NA +MJ017103 5-Hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one; Me ether C15H14O4 258.089208 NA MeJP NA NA +MJ017104 7-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-8-en-3-ol, Ac C15H14O4 258.089208 NA MeJP NA NA +MJ017105 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(3-Methyl-1,3-butadienyl)(E-) C15H14O4 258.089208 NA MeJP NA NA +MJ017106 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(3-Methyl-1,3-butadienyl)(Z-) C15H14O4 258.089208 NA MeJP NA NA +MJ017107 9,10-Dihydro-2,3,4,5-tetrahydroxyphenanthrene; 4-Me ether C15H14O4 258.089208 NA MeJP NA NA +MJ017108 9,10-Dihydro-2,4,5,9-tetrahydroxyphenanthrene; 4-Me ether C15H14O4 258.089208 NA MeJP NA NA +MJ017109 Allopteroxylin C15H14O4 258.089208 NA MeJP NA NA +MJ017110 Alloxanthoxyletin C15H14O4 258.089208 NA MeJP NA NA +MJ017111 Aloesaponol II C15H14O4 258.089208 NA MeJP NA NA +MJ017112 Arnottinin; ?3',5'-Isomer, 1',2'-didehydro(E-), 7-Me ether C15H14O4 258.089208 NA MeJP NA NA +MJ017113 Arnottinin; ?3',5'-Isomer, 1',2'-didehydro(Z-), 7-Me ether C15H14O4 258.089208 NA MeJP NA NA +MJ017114 Auraptenol, 2'-Ketone C15H14O4 258.089208 NA MeJP NA NA +MJ017115 Azanzone B C15H14O4 258.089208 NA MeJP NA NA +MJ017116 Bothrioclinin; 7-Hydroxy C15H14O4 258.089208 NA MeJP NA NA +MJ017117 Braylin C15H14O4 258.089208 NA MeJP NA NA +MJ017118 Cacalonol; 6-Hydroperoxide C15H14O4 258.089208 NA MeJP NA NA +MJ017119 Catalpalactone C15H14O4 258.089208 NA MeJP NA NA +MJ017120 Citrubuntin; 1'S,2'S-Epoxide C15H14O4 258.089208 NA MeJP NA NA +MJ017121 Cochinolide C15H14O4 258.089208 NA MeJP NA NA +MJ017122 Dehydrogeijerin C15H14O4 258.089208 NA MeJP NA NA +MJ017123 Drypemolundein A C15H14O4 258.089208 NA MeJP NA NA +MJ017124 Dunnione, 7-Hydroxy C15H14O4 258.089208 NA MeJP NA NA +MJ017125 Dunnione, 8-Hydroxy C15H14O4 258.089208 NA MeJP NA NA +MJ017126 Eleutherinol; 2,3-Dihydro C15H14O4 258.089208 NA MeJP NA NA +MJ017127 Emmotin D C15H14O4 258.089208 NA MeJP NA NA +MJ017128 Furacrinic acid C15H14O4 258.089208 NA MeJP NA NA +MJ017129 Gasteriacenone A C15H14O4 258.089208 NA MeJP NA NA +MJ017130 Germichrysone C15H14O4 258.089208 NA MeJP NA NA +MJ017131 Goniothalamin, 5?-Acetoxy C15H14O4 258.089208 NA MeJP NA NA +MJ017132 Helicquinone C15H14O4 258.089208 NA MeJP NA NA +MJ017133 Hibiscoquinone A C15H14O4 258.089208 NA MeJP NA NA +MJ017134 Lomatiol C15H14O4 258.089208 NA MeJP NA NA +MJ017135 Lunularic acid C15H14O4 258.089208 NA MeJP NA NA +MJ017136 Luvangetin C15H14O4 258.089208 NA MeJP NA NA +MJ017137 Mansonone H C15H14O4 258.089208 NA MeJP NA NA +MJ017138 Mansonone I C15H14O4 258.089208 NA MeJP NA NA +MJ017139 Micropubescin C15H14O4 258.089208 NA MeJP NA NA +MJ017140 Murralonginol; Aldehyde C15H14O4 258.089208 NA MeJP NA NA +MJ017141 Mycosinol; 4-Deoxy, 2,3-dihydro, 2-acetoxy C15H14O4 258.089208 NA MeJP NA NA +MJ017142 Ononetin C15H14O4 258.089208 NA MeJP NA NA +MJ017143 Oroselol; Me ether C15H14O4 258.089208 NA MeJP NA NA +MJ017144 Peucedanin C15H14O4 258.089208 NA MeJP NA NA +MJ017145 Phebalosin C15H14O4 258.089208 NA MeJP NA NA +MJ017146 Piperolide C15H14O4 258.089208 NA MeJP NA NA +MJ017147 Prechrysophanol C15H14O4 258.089208 NA MeJP NA NA +MJ017148 Ptaeroxylin C15H14O4 258.089208 NA MeJP NA NA +MJ017149 Pterophyllin 1; 3-Hydroxy(2R*,3S*-) C15H14O4 258.089208 NA MeJP NA NA +MJ017150 Ptilin C15H14O4 258.089208 NA MeJP NA NA +MJ017151 Rhinacanthin A C15H14O4 258.089208 NA MeJP NA NA +MJ017152 Rutalpinin C15H14O4 258.089208 NA MeJP NA NA +MJ017153 Spatheliachromene C15H14O4 258.089208 NA MeJP NA NA +MJ017154 Stenocarpone B C15H14O4 258.089208 NA MeJP NA NA +MJ017155 Stenocarpoquinone A C15H14O4 258.089208 NA MeJP NA NA +MJ017156 Streptocarpone C15H14O4 258.089208 NA MeJP NA NA +MJ017157 Thespesone C15H14O4 258.089208 NA MeJP NA NA +MJ017158 Wyerone acid, Me ester C15H14O4 258.089208 NA MeJP NA NA +MJ017159 Xanthoxyletin C15H14O4 258.089208 NA MeJP NA NA +MJ017160 Yangonin C15H14O4 258.089208 NA MeJP NA NA +MJ017161 ?-Lapachone; 4S-Hydroxy C15H14O4 258.089208 NA MeJP NA NA +MJ017162 ?-Lapachone; 9-Hydroxy C15H14O4 258.089208 NA MeJP NA NA +MJ017163 Acadesine C9H14N4O5 258.096419 NA MeJP NA NA +MJ017164 1-(2-Hydroxyethyl)-4-methoxy-?-carboline; 1'-Hydroxy C14H14N2O3 258.100442 NA MeJP NA NA +MJ017165 Pyridindolol C14H14N2O3 258.100442 NA MeJP NA NA +MJ017166 Metalol C11H18N2O3S 258.103813 NA MeJP NA NA +MJ017167 ?-Methylbiotin C11H18N2O3S 258.103813 NA MeJP NA NA +MJ017168 3,4,5,6-Tetrahydroxy-1-cyclohexene-1-carboxaldehyde; 6-O-Pentanoyl C12H18O6 258.110338 NA MeJP NA NA +MJ017169 3-Hydroxy-4-hydroxymethyl-4-pentenoic acid; Et ester, di-Ac C12H18O6 258.110338 NA MeJP NA NA +MJ017170 Candidusin A; 4'-Me ether C12H18O6 258.110338 NA MeJP NA NA +MJ017171 Gardenate A C12H18O6 258.110338 NA MeJP NA NA +C00670 sn-glycero-3-Phosphocholine C8H21NO6P 258.1106 NA KEGG NA NA +MetaCyc02321 Sn-3-glycerophosphocholine [Snglycero-3-phosphocholine;Sn-3-GPC;] C8H21N1O6P1 258.110649 NA metacyc NA NA +MetaCyc02322 L-1-glycero-3-phosphocholine [glycero-phosphocholine;sn-glycero-3-phosphocholine;L-1-glycero-phosphorylcholine;glycerophosphocholine;] C8H21N1O6P1 258.110649 NA metacyc NA NA +MJ017172 Prinoxodan C13H14N4O2 258.111675 NA MeJP NA NA +MJ017173 2-Amino-3-methylenepentanoic acid, N-?-Glutamyl C11H18N2O5 258.121571 NA MeJP NA NA +MJ017174 2-Piperidinecarboxylic acid, N-?-Glutamyl C11H18N2O5 258.121571 NA MeJP NA NA +MJ017175 Idrapril C11H18N2O5 258.121571 NA MeJP NA NA +MJ017176 Pyrosaccharopine C11H18N2O5 258.121571 NA MeJP NA NA +MJ017177 1-(2,3-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane; 3,4'-Di-Me ether C16H18O3 258.125594 NA MeJP NA NA +MJ017178 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)propane; 2'-Me ether C16H18O3 258.125594 NA MeJP NA NA +MJ017179 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)propane; 4'-Me ether C16H18O3 258.125594 NA MeJP NA NA +MJ017180 1-(3,4-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane; 3',4-Di-Me ether C16H18O3 258.125594 NA MeJP NA NA +MJ017181 1-(3,4-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane; 3,3'-Di-Me ether C16H18O3 258.125594 NA MeJP NA NA +MJ017182 1-(3,5-Dihydroxy-4-methylphenyl)-2-(2-hydroxyphenyl)ethane; 2'-Me ether C16H18O3 258.125594 NA MeJP NA NA +MJ017183 1-(3,5-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane; 3,3'-Di-Me ether C16H18O3 258.125594 NA MeJP NA NA +MJ017184 3,4-Dihydro-1,3-dimethyl-1H-naphtho[2,3-c]pyran-7,9,10-triol, 7-Deoxy, 9-Me ether C16H18O3 258.125594 NA MeJP NA NA +MJ017185 3-(1,1-Dimethyl-2-propenyl)-2-methoxy-5-methyl-4H-1-benzopyran-4-one C16H18O3 258.125594 NA MeJP NA NA +MJ017186 3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-2-propenoic acid; Alcohol, Ac C16H18O3 258.125594 NA MeJP NA NA +MJ017187 3-Hydroxy-8-isopropyl-7-methoxy-5-methyl-2-naphthaldehyde C16H18O3 258.125594 NA MeJP NA NA +MJ017188 4,6,12-Tetradecatriene-8,10-diyn-1-ol, 4,5-Epoxide, Ac C16H18O3 258.125594 NA MeJP NA NA +MJ017189 4,6,12-Tetradecatriene-8,10-diyne-1,3-diol, 1-Ac C16H18O3 258.125594 NA MeJP NA NA +MJ017190 4,6,12-Tetradecatriene-8,10-diyne-1,3-diol, 3-Ac C16H18O3 258.125594 NA MeJP NA NA +MJ017191 4-Methoxy-3-(3-methyl-2-butenyl)-5-phenyl-2(5H)-furanone C16H18O3 258.125594 NA MeJP NA NA +MJ017192 5-Ethyl-4-hydroxy-3-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one C16H18O3 258.125594 NA MeJP NA NA +MJ017193 6-Tetradecene-8,10,12-triyne-1,5-diol, 1-Ac C16H18O3 258.125594 NA MeJP NA NA +MJ017194 8-Hydroxy-1(6),2,4,7(11)-cadinatetraen-12,8-olide; O8-Me C16H18O3 258.125594 NA MeJP NA NA +MJ017195 Deacetylshikonofuran A; 11-Deoxy C16H18O3 258.125594 NA MeJP NA NA +MJ017196 Deoxyhemigossypol; 9-Me ether C16H18O3 258.125594 NA MeJP NA NA +MJ017197 Elaeagin C16H18O3 258.125594 NA MeJP NA NA +MJ017198 Faramol; 7-Methoxy C16H18O3 258.125594 NA MeJP NA NA +MJ017199 Fenocinol C16H18O3 258.125594 NA MeJP NA NA +MJ017200 Heritonin C16H18O3 258.125594 NA MeJP NA NA +MJ017201 Mansonone G; Me ether C16H18O3 258.125594 NA MeJP NA NA +MJ017202 Mimosifolenone C16H18O3 258.125594 NA MeJP NA NA +MJ017203 Pelubiprofen C16H18O3 258.125594 NA MeJP NA NA +MJ017204 Strobilurin A C16H18O3 258.125594 NA MeJP NA NA +MJ017205 Tetrahydro-2-(1,7-nonadiene-3,5-diynyl)-2H-pyran-3-ol; Ac C16H18O3 258.125594 NA MeJP NA NA +C09936 Heritonin C16H18O3 258.1256 NA KEGG NA NA +C10271 3'-O-Methylbatatasin III C16H18O3 258.1256 NA KEGG NA NA +C18134 Dihydroechinofuran C16H18O3 258.1256 NA KEGG NA NA +MJ017206 Polixetonium(1+); Dichloride C10H24Cl2N2O 258.126568 NA MeJP NA NA +MJ017207 Cyclo(leucylphenylalanyl), 1'',6-Didehydro(Z-) C15H18N2O2 258.136827 NA MeJP NA NA +MJ017208 Cyclo(leucylphenylalanyl), 1',3-Didehydro(Z-) C15H18N2O2 258.136827 NA MeJP NA NA +MJ017209 Huperzine A; 6?-Hydroxy C15H18N2O2 258.136827 NA MeJP NA NA +MJ017210 Propoxate C15H18N2O2 258.136827 NA MeJP NA NA +8078 synthetic peptide RWR 258.1405 MH2+ Inhouse_peptide NA peptide +MJ017211 Trimelamol C9H18N6O3 258.144038 NA MeJP NA NA +MJ017212 Lorbamate C12H22N2O4 258.157957 NA MeJP NA NA +MJ017213 Terramide A C12H22N2O4 258.157957 NA MeJP NA NA +MJ017214 Valinotricin C12H22N2O4 258.157957 NA MeJP NA NA +MJ017215 Zolertine C13H18N6 258.159294 NA MeJP NA NA +MJ017216 1,3,5,7,10-Bisabolapentaen-1-ol, Ac C17H22O2 258.161979 NA MeJP NA NA +MJ017217 1,8,10-Heptadecatriene-4,6-diyne-3,12-diol C17H22O2 258.161979 NA MeJP NA NA +MJ017218 1,8,16-Heptadecatriene-4,6-diyne-3,10-diol C17H22O2 258.161979 NA MeJP NA NA +MJ017219 1,9,16-Heptadecatriene-4,6-diyn-3-ol, 9,10-Epoxide C17H22O2 258.161979 NA MeJP NA NA +MJ017220 1,9,16-Heptadecatriene-4,6-diyne-3,8-diol C17H22O2 258.161979 NA MeJP NA NA +MJ017221 1,9-Heptadecadiene-4,6-diyne-3,8-diol, 3-Ketone C17H22O2 258.161979 NA MeJP NA NA +MJ017222 1-Hydroxy-9,16-heptadecadiene-4,6-diyn-3-one C17H22O2 258.161979 NA MeJP NA NA +MJ017223 10-Hydroxy-2,8-heptadecadiene-4,6-diyn-1-al C17H22O2 258.161979 NA MeJP NA NA +MJ017224 15-Hydroxy-9,16-heptadecadiene-11,13-diyn-8-one C17H22O2 258.161979 NA MeJP NA NA +MJ017225 17-Hydroxy-7,9-heptadecadiene-11,13-diyn-4-one C17H22O2 258.161979 NA MeJP NA NA +MJ017226 17-Hydroxy-7,9-heptadecadiene-11,13-diyn-6-one C17H22O2 258.161979 NA MeJP NA NA +MJ017227 2,8,10-Heptadecatriene-4,6-diyne-1,14-diol C17H22O2 258.161979 NA MeJP NA NA +MJ017228 2,9,16-Heptadecatriene-4,6-diyn-8-ol, 9,10-Epoxide C17H22O2 258.161979 NA MeJP NA NA +MJ017229 2,9-Pentadecadiene-4,6-diyn-1-ol, Ac C17H22O2 258.161979 NA MeJP NA NA +MJ017230 2-(3,7-Dimethyl-2,6-octadienyl)-5-methyl-1,4-benzoquinone C17H22O2 258.161979 NA MeJP NA NA +MJ017231 2-(3,7-Dimethyl-2,6-octadienyl)-6-methyl-1,4-benzenediol, 1,4-Quinone C17H22O2 258.161979 NA MeJP NA NA +MJ017232 3,7-Dimethyl-2,6-octadien-1-ol, Benzoyl C17H22O2 258.161979 NA MeJP NA NA +MJ017233 4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid; Aldehyde C17H22O2 258.161979 NA MeJP NA NA +MJ017234 5-Hydroxy-2,7-dimethyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran C17H22O2 258.161979 NA MeJP NA NA +MJ017235 6,8,12,14-Hexadecatetraen-10-ynoic acid, Me ester C17H22O2 258.161979 NA MeJP NA NA +MJ017236 6-Hydroxy-2,8-dimethyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran C17H22O2 258.161979 NA MeJP NA NA +MJ017237 8,10,12-Heptadecatriene-4,6-diyne-1,14-diol C17H22O2 258.161979 NA MeJP NA NA +MJ017238 Cannabidiorcol C17H22O2 258.161979 NA MeJP NA NA +MJ017239 Cannabiorcol; 6aR,7,8,10aR-Tetrahydro C17H22O2 258.161979 NA MeJP NA NA +MJ017240 Flavidulol A C17H22O2 258.161979 NA MeJP NA NA +MJ017241 Flavidulol B C17H22O2 258.161979 NA MeJP NA NA +MJ017242 Laurene; 15-Acetoxy C17H22O2 258.161979 NA MeJP NA NA +MJ017243 Panaxydol; 3-Ketone C17H22O2 258.161979 NA MeJP NA NA +C08402 Cicutoxin C17H22O2 258.162 NA KEGG NA NA +MJ017244 ?-Obscurine; Natural-form, N-De-Me C16H22N2O 258.173213 NA MeJP NA NA +MJ017245 Dihydrochanoclavine I C16H22N2O 258.173213 NA MeJP NA NA +MJ017246 Isodihydrochanoclavine I C16H22N2O 258.173213 NA MeJP NA NA +MJ017247 Lycodine; 11R-Hydroxy C16H22N2O 258.173213 NA MeJP NA NA +MJ017248 N-Methyltryptamine; Nb-(3-Methylbutanoyl) C16H22N2O 258.173213 NA MeJP NA NA +MJ017249 Nigerazine B C16H22N2O 258.173213 NA MeJP NA NA +MJ017250 Pseudophrynaminol C16H22N2O 258.173213 NA MeJP NA NA +MJ017251 2-Chloro-2-pentadecenal C15H27ClO 258.175043 NA MeJP NA NA +C14253 Dibutyl adipate C14H26O4 258.1831 NA KEGG NA NA +C14260 Diisobutyl adipate C14H26O4 258.1831 NA KEGG NA NA +HMDB00872 Tetradecanedioic acid C14H26O4 258.183105 NA HMDB2010 NA NA +MJ017252 2-Propylpentanoic acid; (2,2-Dimethyl-1-oxopropoxy)methyl ester C14H26O4 258.183109 NA MeJP NA NA +MJ017253 3,5-Dihydroxy-7-tetradecenoic acid C14H26O4 258.183109 NA MeJP NA NA +MJ017254 6-Butyl-6-ethyl-4-ethylidene-1,2-dioxan-3-acetic acid; 4?,11-Dihydro C14H26O4 258.183109 NA MeJP NA NA +MJ017255 Dihydro-4-(hydroxymethyl)-3-(1-hydroxy-7-methyloctyl)-2(3H)-furanone C14H26O4 258.183109 NA MeJP NA NA +MJ017256 Tetrahydro-3,4-dihydroxy-6-nonyl-2H-pyran-2-one C14H26O4 258.183109 NA MeJP NA NA +MJ017257 Tetrahydro-4-hydroxy-6-nonyl-2H-pyran-2-one, 6'R-Hydroxy C14H26O4 258.183109 NA MeJP NA NA +MJ017258 Tetrahydro-4-hydroxy-6-nonyl-2H-pyran-2-one, 7'R-Hydroxy C14H26O4 258.183109 NA MeJP NA NA +HMDB00872 Tetradecanedioic acid C14H26O4 258.18311 http://www.hmdb.ca/metabolites/HMDB00872 HMDB NA NA +HMDB00872 Tetradecanedioic acid C14H26O4 258.18311 HMDB00872 PFEM_hmdb_metabocards_official NA NA +MJ017259 2,4-Diaminobutanoic acid, N2-(6-Methyloctanoyl) C13H26N2O3 258.194342 NA MeJP NA NA +MJ017260 1,6,9,12,15-Octadecapentaen-3-one C18H26O 258.198365 NA MeJP NA NA +MJ017261 4-(3,5-Dodecadienyl)phenol C18H26O 258.198365 NA MeJP NA NA +MJ017262 Xibornol C18H26O 258.198365 NA MeJP NA NA +MJ017263 1-Farnesene-3,7,11-triol C15H30O3 258.219494 NA MeJP NA NA +MJ017264 10-Hydroxytetradecanoic acid; Me ester C15H30O3 258.219494 NA MeJP NA NA +MJ017265 15-Hydroxypentadecanoic acid C15H30O3 258.219494 NA MeJP NA NA +MJ017266 2-Farnesene-1,7,11-triol C15H30O3 258.219494 NA MeJP NA NA +MJ017267 2-Hydroxypentadecanoic acid C15H30O3 258.219494 NA MeJP NA NA +MJ017268 3-Hydroxy-3,7,11-trimethyldodecanoic acid C15H30O3 258.219494 NA MeJP NA NA +MJ017269 Nitrosoxacin C C14H30N2O2 258.230728 NA MeJP NA NA +EUR504 Acide eicosapentaenoique 20 :5 F2 F2 258.233125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR504 Acide eicosapentaenoique 20 :5 F2 NA 258.233125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR504 Acide eicosapentaenoique 20 :5 F2 F2 258.233125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR504 Acide eicosapentaenoique 20 :5 F2 NA 258.233125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR504 Acide eicosapentaenoique 20 :5 F2 F2 258.233125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR504 Acide eicosapentaenoique 20 :5 F2 NA 258.233125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR504 Acide eicosapentaenoique 20 :5 F2 F2 258.233125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR504 Acide eicosapentaenoique 20 :5 F2 F2 258.233125 standards wishlist analysés sur QTOF HMDB NA NA +EUR504 Acide eicosapentaenoique 20 :5 F2 F2 258.233125 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR504 Acide eicosapentaenoique 20 :5 F2 NA 258.233125 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR504 Acide eicosapentaenoique 20 :5 F2 F2 258.233125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR504 Acide eicosapentaenoique 20 :5 F2 F2 258.233125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ017270 18-Nor-16-kaurene; ent-form C19H30 258.23475 NA MeJP NA NA +MJ017271 3,6,9,12,15-Nonadecapentaene C19H30 258.23475 NA MeJP NA NA +EUR497 8(9)-EET F4 F4 258.235925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR497 8(9)-EET F4 NA 258.235925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR497 8(9)-EET F4 F4 258.235925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR497 8(9)-EET F4 NA 258.235925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR497 8(9)-EET F4 F4 258.235925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR497 8(9)-EET F4 NA 258.235925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR497 8(9)-EET F4 F4 258.235925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR497 8(9)-EET F4 F4 258.235925 standards wishlist analysés sur QTOF HMDB NA NA +EUR497 8(9)-EET F4 F4 258.235925 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR497 8(9)-EET F4 NA 258.235925 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR497 8(9)-EET F4 F4 258.235925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR497 8(9)-EET F4 F4 258.235925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ017272 1,16-Hexadecanediol C16H34O2 258.25588 NA MeJP NA NA +MJ017273 1,7-Hexadecanediol C16H34O2 258.25588 NA MeJP NA NA +C11733 Decamethonium C16H38N2 258.3035 NA KEGG NA NA +EUR014 3-bromotyrosine C9H10BrNO3 258.9844 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR014 3-bromotyrosine C9H10BrNO3 258.9844 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR014 3-bromotyrosine C9H10BrNO3 258.9844 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR014 3-bromotyrosine C9H10BrNO3 258.9844 Wishlist Inhousejuil11 NA NA +C17079 3-Bromo-tyrosine C9H10BrNO3 258.9844 NA KEGG NA NA +EUR014 3-bromotyrosine C9H10BrNO3 258.984405 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR014 3-bromotyrosine C9H10BrNO3 258.984405 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR014 3-bromotyrosine C9H10BrNO3 258.984405 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR014 3-bromotyrosine C9H10BrNO3 258.984405 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR014 3-bromotyrosine C9H10BrNO3 258.984405 Wishlist HMDB NA NA +EUR014 3-bromotyrosine C9H10BrNO3 258.984405 Wishlist Inhouse_PFEM NA NA +MJ017274 2-Amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid C9H10BrNO3 258.984405 NA MeJP NA NA +EUR014 3-bromotyrosine C9H10BrNO3 258.984405 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR014 3-bromotyrosine C9H10BrNO3 258.984405 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB05874 3-Bromotyrosine C9H10BrNO3 258.984406 NA HMDB2010 NA NA +MJ017275 Xanthopterin; 6-O-Sulfate C6H5N5O5S 259.001138 NA MeJP NA NA +MJ017276 Antibiotic SF 2103B C9H9NO6S 259.015057 NA MeJP NA NA +C10964 Benoxacor C11H11Cl2NO2 259.0167 NA KEGG NA NA +C14207 M2 C11H11Cl2NO2 259.0167 NA KEGG NA NA +MetaCyc02323 D-myo-Inositol (1)-monophosphate [1D-myo-Inositol 1-phosphate;Ins(1)P1;1-D-myo-inositol-1-p;Ins(1)P;1D-myo-inositol (1)-monophosphate;Ins1P;] C6H12O9P1 259.021893 NA metacyc NA NA +MetaCyc02324 D-myo-inositol (2) monophosphate [1D-myo-inositol (2) monophosphate;Ins(2)P1;Ins(2)P;Ins2P;] C6H12O9P1 259.021893 NA metacyc NA NA +MetaCyc02325 D-myo-inositol (6)-monophosphate [Ins(6)P1;D-myo-inositol (6)-phosphate;Ins(6)P;Ins6P;1D-myo-inositol (6)-monophosphate;] C6H12O9P1 259.021893 NA metacyc NA NA +MetaCyc02326 D-myo-inositol (5)-phosphate [1D-myo-inositol (5)-phosphate;Ins(5)P1;myo-inositol (5)-phosphate;Ins(5)P;Ins5P;] C6H12O9P1 259.021893 NA metacyc NA NA +MetaCyc02327 D-myo-inositol (3)-monophosphate [1-L-myo-inositol-1-p;L-myo-inositol 1-phosphate;inositol 1-phosphate;myo-inositol 1-phosphate;1D-myo-inositol 3-phosphate;Ins(3)P1;1D-myo-inositol 3-monophosphate;myo-inositol 1-monophosphate;Ins3P;1L-myo-inositol 1-phosphate;myo-inositol phosphate;] C6H12O9P1 259.021893 NA metacyc NA NA +MetaCyc02328 N-sulfo-D-glucosamine [] C6H13N1O8S1 259.036187 NA metacyc NA NA +HMDB00592 Glucosamine 6-sulfate C6H13NO8S 259.03619 http://www.hmdb.ca/metabolites/HMDB00592 HMDB NA NA +HMDB00592 Glucosamine 6-sulfate C6H13NO8S 259.03619 HMDB00592 PFEM_hmdb_metabocards_official NA NA +HMDB00592 Glucosamine 6-sulfate C6H13NO8S 259.036194 NA HMDB2010 NA NA +HMDB01481 N-Sulfo-D-glucosamine C6H13NO8S 259.036194 NA HMDB2010 NA NA +C01075 N-Sulfo-D-glucosamine C6H13NO8S 259.0362 NA KEGG NA NA +C01076 N-Terminal amino acid C2H3NOR2 259.0362 NA KEGG NA NA +JH175 Glucosamine 6-phosphate [M+H]+ C6H14NO8P 259.0454 Rtobs1.21 PFEM_hmdb_metabocards_urine NA urine +JH175 Glucosamine 6-phosphate [M+H]+ C6H14NO8P 259.0454 1.21 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH175 Glucosamine 6-phosphate [M+H]+ C6H14NO8P 259.0454 Rtobs1.21 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH175 Glucosamine 6-phosphate [M+H]+ C6H14NO8P 259.0454 1.21 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH175 Glucosamine 6-phosphate [M+H]+ C6H14NO8P 259.0454 Rtobs1.21 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH175 Glucosamine 6-phosphate [M+H]+ C6H14NO8P 259.0454 1.21 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH175 Glucosamine 6-phosphate [M+H]+ C6H14NO8P 259.0454 Rtobs1.21 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH175 Glucosamine 6-phosphate [M+H]+ C6H14NO8P 259.0454 Rtobs1.21 HMDB NA NA +JH175 Glucosamine 6-phosphate [M+H]+ C6H14NO8P 259.0454 Rtobs1.21 Inhouse_PFEM NA NA +JH175 Glucosamine 6-phosphate [M+H]+ C6H14NO8P 259.0454 1.21 Inhousejuil11 NA NA +JH175 Glucosamine 6-phosphate [M+H]+ C6H14NO8P 259.0454 Rtobs1.21 PFEM_hmdb_metabocards_blood NA blood +JH175 Glucosamine 6-phosphate [M+H]+ C6H14NO8P 259.0454 Rtobs1.21 PFEM_hmdb_metabocards_official NA NA +HMDB01109 Glucosamine-1P C6H14NO8P 259.04568 http://www.hmdb.ca/metabolites/HMDB01109 HMDB NA NA +HMDB01254 Glucosamine 6-phosphate C6H14NO8P 259.04568 http://www.hmdb.ca/metabolites/HMDB01254 HMDB NA NA +HMDB01109 Glucosamine-1P C6H14NO8P 259.04568 HMDB01109 PFEM_hmdb_metabocards_official NA NA +HMDB01254 Glucosamine 6-phosphate C6H14NO8P 259.04568 HMDB01254 PFEM_hmdb_metabocards_official NA NA +C00352 D-Glucosamine 6-phosphate C6H14NO8P 259.0457 NA KEGG NA NA +C01283 1-Amino-1-deoxy-scyllo-inositol 4-phosphate C6H14NO8P 259.0457 NA KEGG NA NA +C03783 D-Galactosamine 1-phosphate C6H14NO8P 259.0457 NA KEGG NA NA +C06156 alpha-D-Glucosamine 1-phosphate C6H14NO8P 259.0457 NA KEGG NA NA +C06157 [Dihydrolipoyllysine-residue succinyltransferase] C13H22NO4S2R 259.0457 NA KEGG NA NA +C06377 D-Galactosamine 6-phosphate C6H14NO8P 259.0457 NA KEGG NA NA +C06378 N-Acyl-D-amino acid C3H3NO3R2 259.0457 NA KEGG NA NA +C06379 N-Acyl-D-glutamate C6H8NO5R 259.0457 NA KEGG NA NA +C06380 N-Acyl-D-aspartate C5H6NO5R 259.0457 NA KEGG NA NA +C12213 Kanosamine 6-phosphate C6H14NO8P 259.0457 NA KEGG NA NA +C12214 Aminofructose 6-phosphate C6H14NO8P 259.0457 NA KEGG NA NA +MJ017277 1-Amino-1-deoxy-scyllo-inositol 4-phosphate C6H14NO8P 259.045702 NA MeJP NA NA +MJ017278 D-Glucosamine 1-phosphate C6H14NO8P 259.045702 NA MeJP NA NA +MJ017279 D-Glucosamine 6-phosphate C6H14NO8P 259.045702 NA MeJP NA NA +MetaCyc02329 D-glucosamine 1-phosphate [glucosamine-1P;α-D-glucosamine 1P;α-D-glucosamine 1-phosphate;] C6H14N1O8P1 259.045703 NA metacyc NA NA +MetaCyc02330 D-glucosamine-6-phosphate [D-glucosamine phosphate;D-glucosamine 6-phosphate;D-glucosamine-6-P;glucosamine-6-P;glucosamine-6-phosphate;] C6H14N1O8P1 259.045703 3616-42-0 metacyc NA NA +MetaCyc02331 D-galactosamine-6-phosphate [] C6H14N1O8P1 259.045703 NA metacyc NA NA +MetaCyc02332 1-amino-1-deoxy-scyllo-inositol 4-phosphate [] C6H14N1O8P1 259.045703 NA metacyc NA NA +HMDB01109 Glucosamine-1P C6H14NO8P 259.045715 NA HMDB2010 NA NA +HMDB01254 Glucosamine 6-phosphate C6H14NO8P 259.045715 NA HMDB2010 NA NA +MJ017280 Furo[2,3-b]quinoline-4,6,7,8-tetrol; OH-form, 6,7-Methylene, 4-Me ether C13H9NO5 259.048072 NA MeJP NA NA +MJ017281 Azintamide C10H14ClN3OS 259.05461 NA MeJP NA NA +C13048 p-Nitrophenyl-O-ethyl ethylphosphonate C10H14NO5P 259.061 NA KEGG NA NA +C13049 Transferred to D01592 C10H14NO5P 259.061 NA KEGG NA NA +MJ017282 ?-[(2-Amino-2-carboxyethyl)thio]-1H-imidazole-4-propanoic acid C9H13N3O4S 259.062676 NA MeJP NA NA +MJ017283 Azatepa C8H14N5OPS 259.065667 NA MeJP NA NA +MJ017284 Lissoclinotoxin C C11H17NO2S2 259.07007 NA MeJP NA NA +MJ017285 Bredinin C9H13N3O6 259.080435 NA MeJP NA NA +MJ017286 Pyrazomycin C9H13N3O6 259.080435 NA MeJP NA NA +MJ017287 10-Hydroxy-8-decene-2,4,6-triynoic acid, L-Alanyl methyl ester C14H13NO4 259.084457 NA MeJP NA NA +MJ017288 4,5,6-Trimethoxyfuro[2,3-b]quinoline C14H13NO4 259.084457 NA MeJP NA NA +MJ017289 Droxacin C14H13NO4 259.084457 NA MeJP NA NA +MJ017290 Furo[2,3-b]quinoline-4,5,7-triol; NH-form, 5,7-Di-Me ether, N-Me C14H13NO4 259.084457 NA MeJP NA NA +MJ017291 Furo[2,3-b]quinoline-4,6,7-triol; OH-form, Tri-Me ether C14H13NO4 259.084457 NA MeJP NA NA +MJ017292 Furo[2,3-b]quinoline-4,6,8-triol; NH-form, 6,8-Di-Me ether, N-Me C14H13NO4 259.084457 NA MeJP NA NA +MJ017293 Furo[2,3-b]quinoline-4,6,8-triol; OH-form, Tri-Me ether C14H13NO4 259.084457 NA MeJP NA NA +MJ017294 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, Tri-Me ether C14H13NO4 259.084457 NA MeJP NA NA +MJ017295 Oxalinast C14H13NO4 259.084457 NA MeJP NA NA +C10701 Kokusaginine C14H13NO4 259.0845 NA KEGG NA NA +C10716 Maculosidine C14H13NO4 259.0845 NA KEGG NA NA +C10740 Skimmianine C14H13NO4 259.0845 NA KEGG NA NA +CJpos0649 Oxoproline [(2M+H)]+ (13C) C913CH15N2O6 259.087975 C18rt(min)=1.05 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0649 Oxoproline [(2M+H)]+ (13C) C913CH15N2O6 259.087975 C18rt(min)=1.05 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ017296 Bemoradan C13H13N3O3 259.095691 NA MeJP NA NA +MJ017297 Caerulomycin; 3-Methoxy C13H13N3O3 259.095691 NA MeJP NA NA +MJ017298 Ciclobendazole C13H13N3O3 259.095691 NA MeJP NA NA +MJ017299 2-Hydroxy-3-methyl-3-butenoic acid, Nitrile, O-?-D-glucopyranoside C11H17NO6 259.105587 NA MeJP NA NA +MJ017300 2-Hydroxymethyl-2-butenenitrile, O-?-D-Glucopyranoside C11H17NO6 259.105587 NA MeJP NA NA +MJ017301 4-Hydroxy-2-methyl-2-butenoic acid, Nitrile, 4-O-?-D-glucopyranoside C11H17NO6 259.105587 NA MeJP NA NA +MJ017302 4-Hydroxy-3-methyl-2-butenoic acid, O-?-D-Glucopyranoside, nitrile C11H17NO6 259.105587 NA MeJP NA NA +MJ017303 Mycosporin-Ala C11H17NO6 259.105587 NA MeJP NA NA +HMDB13134 Fumarycarnitine C11H17NO6 259.105591 NA HMDB2010 NA NA +C08338 Proacacipetalin C11H17NO6 259.1056 NA KEGG NA NA +3122 a1-chain of collagen fr,:434-438 KDGEA 259.11045 MH2+ Inhouse_peptide NA peptide +MJ017304 Clobenzorex C16H18ClN 259.112777 NA MeJP NA NA +MJ017305 Dibenamine C16H18ClN 259.112777 NA MeJP NA NA +C05939 Linatine C10H17N3O5 259.1168 NA KEGG NA NA +PJ000108 GSP C10H17N3O5 259.1168 NA PeJP NA NA +MJ017306 1-Amino-2-pyrrolidinecarboxylic acid, N-?-L-Glutamyl C10H17N3O5 259.11682 NA MeJP NA NA +MJ017307 Antibiotic SF 2448; Antibiotic SF 2448C C10H17N3O5 259.11682 NA MeJP NA NA +MJ017308 Linatine C10H17N3O5 259.11682 NA MeJP NA NA +C12253 Norsanguinine C15H17NO3 259.1208 NA KEGG NA NA +C16701 Norbelladine C15H17NO3 259.1208 NA KEGG NA NA +C16721 Platydesmine C15H17NO3 259.1208 NA KEGG NA NA +C16722 Acceptor NH2R 259.1208 NA KEGG NA NA +MJ017309 2,3,4,6-Tetrahydro-4-hydroxy-2,2,6-trimethyl-5H-pyrano[3,2-c]quinolin-5-one C15H17NO3 259.120843 NA MeJP NA NA +MJ017310 4-Hydroxy-2-propylquinoline; NH-form, N-(Acetoxymethyl) C15H17NO3 259.120843 NA MeJP NA NA +MJ017311 6-Methyl-2-oxo-4-[(phenylmethyl)amino]-3-cyclohexene-1-carboxylic acid C15H17NO3 259.120843 NA MeJP NA NA +MJ017312 Ampullicin C15H17NO3 259.120843 NA MeJP NA NA +MJ017313 Araliopsine C15H17NO3 259.120843 NA MeJP NA NA +MJ017314 Geibalansine C15H17NO3 259.120843 NA MeJP NA NA +MJ017315 Ilepcimide C15H17NO3 259.120843 NA MeJP NA NA +MJ017316 Isoplatydesmine C15H17NO3 259.120843 NA MeJP NA NA +MJ017317 Malatyamine C15H17NO3 259.120843 NA MeJP NA NA +MJ017318 N-(3-Phenylpropanoyl)pyrrole; 3'',4''-Dimethoxy C15H17NO3 259.120843 NA MeJP NA NA +MJ017319 N-[3-(3,4-Dimethoxyphenyl)propanoyl]pyrrole C15H17NO3 259.120843 NA MeJP NA NA +MJ017320 Oligophyline; 6-Methoxy, N-de-Me, C15H17NO3 259.120843 NA MeJP NA NA +MJ017321 Platydesmine C15H17NO3 259.120843 NA MeJP NA NA +MJ017322 Ravesilone C15H17NO3 259.120843 NA MeJP NA NA +MJ017323 Ribalinine C15H17NO3 259.120843 NA MeJP NA NA +MJ017324 Sanguinine; N-De-Me C15H17NO3 259.120843 NA MeJP NA NA +MJ017325 Castanospermine; 6-Butanoyl C12H21NO5 259.141972 NA MeJP NA NA +3312 NA LLHH 259.142 MH2+ Inhouse_peptide NA peptide +3518 ACE inhibitor VAA 259.142 ACE inhibitor Inhouse_peptide NA peptide +7831 ACE inhibitor LQ 259.142 immunomodulating Inhouse_peptide NA peptide +PJ000109 LQ C11H21N3O4 259.1532 NA PeJP NA NA +C04284 2-Heptyl-4-hydroxyquinoline-N-oxide C16H21NO2 259.1572 NA KEGG NA NA +C07407 Propranolol C16H21NO2 259.1572 NA KEGG NA NA +C11193 R (+)-Propanolol C16H21NO2 259.1572 NA KEGG NA NA +C11848 2-Heptyl-3-hydroxy-quinolone C16H21NO2 259.1572 NA KEGG NA NA +HMDB01849 Propranolol C16H21NO2 259.157227 NA HMDB2010 NA NA +MJ017326 2-Heptyl-3-hydroxy-4(3H)-quinolinone C16H21NO2 259.157228 NA MeJP NA NA +MJ017327 2-Heptyl-4-hydroxyquinoline; N-Oxide C16H21NO2 259.157228 NA MeJP NA NA +MJ017328 2-Pentyl-4(1H)-quinolinone; NH-form, 8-Methoxy, N-Me C16H21NO2 259.157228 NA MeJP NA NA +MJ017329 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(Phenylacetyl) C16H21NO2 259.157228 NA MeJP NA NA +MJ017330 Elaeocarpiline C16H21NO2 259.157228 NA MeJP NA NA +MJ017331 Fawcettidine; 8S-Hydroxy, 3,4-didehydro C16H21NO2 259.157228 NA MeJP NA NA +MJ017332 Huperzine H C16H21NO2 259.157228 NA MeJP NA NA +MJ017333 Joubertiamine C16H21NO2 259.157228 NA MeJP NA NA +MJ017334 Propranolol C16H21NO2 259.157228 NA MeJP NA NA +MJ017335 Pseudoepiisoelaeocarpiline C16H21NO2 259.157228 NA MeJP NA NA +MJ017336 Sattazolin, Me ether C16H21NO2 259.157228 NA MeJP NA NA +MJ017337 Troparil C16H21NO2 259.157228 NA MeJP NA NA +HMDB01849 Propranolol C16H21NO2 259.15723 http://www.hmdb.ca/metabolites/HMDB01849 HMDB NA NA +HMDB01849 Propranolol C16H21NO2 259.15723 HMDB01849 PFEM_hmdb_metabocards_official NA NA +MJ017338 1-[1-(Dimethylamino)ethyl]-3-propanoyl-1H-indole; Oxime C15H21N3O 259.168462 NA MeJP NA NA +MJ017339 Primaquine C15H21N3O 259.168462 NA MeJP NA NA +MJ017340 Quinocide C15H21N3O 259.168462 NA MeJP NA NA +C07627 Primaquine C15H21N3O 259.1685 NA KEGG NA NA +CJpos0650 Hexanoylcarnitine [(M+H)]+ C13H26NO4 259.177775 C18rt(min)=6.65 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0651 Hexanoylcarnitine isomer [(M+H)]+ C13H26NO4 259.177775 C18rt(min)=6.23 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0652 Hexanoylcarnitine isomer [(M+H)]+ C13H26NO4 259.177775 C18rt(min)=6.35 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0650 Hexanoylcarnitine [(M+H)]+ C13H26NO4 259.177775 C18rt(min)=6.65 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0651 Hexanoylcarnitine isomer [(M+H)]+ C13H26NO4 259.177775 C18rt(min)=6.23 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0652 Hexanoylcarnitine isomer [(M+H)]+ C13H26NO4 259.177775 C18rt(min)=6.35 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +7693 ACE inhibitor from wakame KL 259.178 antioxidative Inhouse_peptide NA peptide +8217 Antioxidative peptide LK 259.178 Tripeptides ;SYN:5-L-Glutamyl-L-cysteinylglycine; Agifutol S; Bakezyme RX; Copren; Deltathione; GSH; Glutathion; Glutathione; Glutathione red; Glutathione reduced; Glutathione-SH; Glutatiol; Glutatione; Glutide; Glutinal; L-g-glutamyl-L-cysteinyl-glycine; L-gamma-glutamyl-L-cysteinyl-glycine; Isethion; L-Glutathione; L-Glutathione reduce; L-gamma-glutamyl-L-cysteinylglycine; L-glutamyl-L-cysteinylglycine; Ledac; Neuthion; Reduced glutathione; Tathion; Tathione; Triptide; gamma-Glutamylcysteinylglycine; gamma-L-Glutamyl-L-cysteinylglycine; gamma-L-glutamyl-L-cysteinyl-glycine; red, glutathioneH2Blood; Cellular Cytoplasm; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +LABER083 Hexanoyl-carnitine NA 259.178345 RT 15.42 fragt PFEM_hmdb_metabocards_urine NA urine +LABER083 Hexanoyl-carnitine NA 259.178345 RT 15.42 fragt BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER083 Hexanoyl-carnitine NA 259.178345 RT 15.42 fragt Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER083 Hexanoyl-carnitine NA 259.178345 RT 15.42 fragt banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER083 Hexanoyl-carnitine NA 259.178345 RT 15.42 fragt HMDB NA NA +HMDB00705 Hexanoylcarnitine C13H25NO4 259.178345 NA HMDB2010 NA NA +HMDB00756 L-Hexanoylcarnitine C13H25NO4 259.178345 NA HMDB2010 NA NA +LABER083 Hexanoyl-carnitine NA 259.178345 RT 15.42 fragt Inhouse_PFEM NA NA +LABER083 Hexanoyl-carnitine NA 259.178345 RT 15.42 fragt Inhousejuil11 NA NA +LABER083 Hexanoyl-carnitine NA 259.178345 RT 15.42 fragt PFEM_hmdb_metabocards_blood NA blood +LABER083 Hexanoyl-carnitine NA 259.178345 RT 15.42 fragt PFEM_hmdb_metabocards_official NA NA +HMDB00705 Hexanoylcarnitine C13H25NO4 259.17835 Long chain acyl carnitines ;SYN:H2Blood; Urine Inhouse_peptide NA peptide +HMDB00756 L-Hexanoylcarnitine C13H25NO4 259.17835 NA ;SYN:His-R; N(Tau)-ribosylhistidineH2Blood; Urine Inhouse_peptide NA peptide +HMDB00756 L-Hexanoylcarnitine C13H25NO4 259.17838 http://www.hmdb.ca/metabolites/HMDB00756 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00705 Hexanoylcarnitine C13H25NO4 259.17838 http://www.hmdb.ca/metabolites/HMDB00705 HMDB NA NA +HMDB00756 L-Hexanoylcarnitine C13H25NO4 259.17838 http://www.hmdb.ca/metabolites/HMDB00756 HMDB NA NA +HMDB00756 L-Hexanoylcarnitine C13H25NO4 259.17838 http://www.hmdb.ca/metabolites/HMDB00756 PFEM_hmdb_metabocards_blood NA blood +HMDB00705 Hexanoylcarnitine C13H25NO4 259.17838 HMDB00705 PFEM_hmdb_metabocards_official NA NA +HMDB00756 L-Hexanoylcarnitine C13H25NO4 259.17838 HMDB00756 PFEM_hmdb_metabocards_official NA NA +PARAC005 412 parent ? NA 259.1848 RT6.9 PFEM_hmdb_metabocards_urine NA urine +PARAC005 412 parent ? NA 259.1848 RT6.9 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC005 412 parent ? NA 259.1848 RT6.9 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC005 412 parent ? NA 259.1848 RT6.9 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC005 412 parent ? NA 259.1848 RT6.9 HMDB NA NA +PARAC005 412 parent ? NA 259.1848 RT6.9 Inhouse_PFEM NA NA +PARAC005 412 parent ? NA 259.1848 RT6.9 PFEM_hmdb_metabocards_blood NA blood +PARAC005 412 parent ? NA 259.1848 RT6.9 PFEM_hmdb_metabocards_official NA NA +PJ000110 LK C12H25N3O3 259.1896 NA PeJP NA NA +MJ017341 12-(3-Pyridinyl)-4,6,8-dodecatrien-2-ol, 8,9-Dihydro C17H25NO 259.193614 NA MeJP NA NA +MJ017342 2-Dodecene-8,10-diynoic acid, 2-Methylbutylamide C17H25NO 259.193614 NA MeJP NA NA +MJ017343 7-Tridecene-10,12-diynoic acid, 2-Methylpropylamide C17H25NO 259.193614 NA MeJP NA NA +MJ017344 Darlingianine, 3,4-Dihydro C17H25NO 259.193614 NA MeJP NA NA +MJ017345 Eperisone C17H25NO 259.193614 NA MeJP NA NA +MJ017346 Histrionicotoxins; Histrionicotoxin 259 C17H25NO 259.193614 NA MeJP NA NA +MJ017347 Vesamicol C17H25NO 259.193614 NA MeJP NA NA +MJ017348 5,6,7,8-Tetrahydro-2-nonylquinoline C18H29N 259.229999 NA MeJP NA NA +MJ017349 5-(1,3-Decadienyl)indolizidine; 5',6'-Didehydro C18H29N 259.229999 NA MeJP NA NA +MJ017350 Villatamine A C18H29N 259.229999 NA MeJP NA NA +C13832 4Z,7Z,10Z-Octadecatrienenitrile C18H29N 259.23 NA KEGG NA NA +MJ017351 Homocaldopentamine C13H33N5 259.273596 NA MeJP NA NA +MJ017352 Thermopentamine C13H33N5 259.273596 NA MeJP NA NA +8296 ACE inhibitor GVHHA 259.621 MH2+ Inhouse_peptide NA peptide +2809 PEP inhibitor PPPLP 259.646 MH2+ Inhouse_peptide NA peptide +MJ017353 Tin(II) arsenate (Sn(HAsO4)) AsHO4Sn 259.811276 NA MeJP NA NA +MJ017354 1,4-Dibromo-3-chloro-3-buten-2-one C4H3Br2ClO 259.823917 NA MeJP NA NA +MJ017355 4,4-Dibromo-3-chloro-3-buten-2-one C4H3Br2ClO 259.823917 NA MeJP NA NA +MJ017356 Magnesium trisilicate Mg2O8Si3 259.86018 NA MeJP NA NA +MJ017357 3,4,5,6-Tetrachloro-1,2-benzenediol; Mono-Me ether C7H4Cl4O2 259.89654 NA MeJP NA NA +MJ017358 Bismuth chloride oxide (BiClO) BiClO 259.94415 NA MeJP NA NA +MJ017359 3-(2-Amino-3-chlorophenyl)-4-chloro-1H-pyrrole; 2-Chloro C10H7Cl3N2 259.967481 NA MeJP NA NA +MJ017360 Carbarsone C7H9AsN2O4 259.977828 NA MeJP NA NA +MJ017361 Trimorphamide C7H11Cl3N2O2 259.98861 NA MeJP NA NA +MJ017362 6-Bromo-1-methyl-?-carboline C12H9BrN2 259.99491 NA MeJP NA NA +HMDB00963 5-Methylthioribose 1-phosphate C6H13O7PS 260.01196 http://www.hmdb.ca/metabolites/HMDB00963 HMDB NA NA +HMDB01299 5-methylthioribulose 1-phosphate C6H13O7PS 260.01196 http://www.hmdb.ca/metabolites/HMDB01299 HMDB NA NA +MetaCyc02333 5-methylthioribose-1-phosphate [S5-methyl-5-thio-D-ribose-1-phosphate;5-methylthio-D-ribose-1-phosphate;5-MTR-1-P;1-phosphomethylthioribose;1-phospho-5-S-methylthioribose;1-PMTR;1-phospho-5-S-methylthio-α-D-ribofuranoside;S-methyl-5-thio-α-D-ribose 1-phosphate;S-methyl-5-thio-D-ribose 1-phosphate;] C6H13O7P1S1 260.01196 NA metacyc NA NA +MetaCyc02334 5-methylthioribulose-1-phosphate [5-methylthio-5-deoxy-D-ribulose-1-phosphate;1-phosphomethylthioribulose;methylthioribulose-1-phosphate;MTRu-1-P;1PMT-ribulose;1-phospho-5-S-methylthioribulose;] C6H13O7P1S1 260.01196 NA metacyc NA NA +HMDB00963 5-Methylthioribose 1-phosphate C6H13O7PS 260.01196 HMDB00963 PFEM_hmdb_metabocards_official NA NA +HMDB01299 5-methylthioribulose 1-phosphate C6H13O7PS 260.01196 HMDB01299 PFEM_hmdb_metabocards_official NA NA +HMDB00963 5-Methylthioribose 1-phosphate C6H13O7PS 260.011963 NA HMDB2010 NA NA +HMDB01299 5-Methylthioribulose 1-phosphate C6H13O7PS 260.011963 NA HMDB2010 NA NA +C04188 S-Methyl-5-thio-D-ribose 1-phosphate C6H13O7PS 260.012 NA KEGG NA NA +C04582 S-Methyl-5-thio-D-ribulose 1-phosphate C6H13O7PS 260.012 NA KEGG NA NA +C10911 Bromacil C9H13BrN2O2 260.016 NA KEGG NA NA +MJ017363 Pyridostigmine(1+); Bromide C9H13BrN2O2 260.01604 NA MeJP NA NA +C01067 D-Galactose 6-sulfate C6H12O9S 260.0202 NA KEGG NA NA +C02827 D-Glucose 6-sulfate C6H12O9S 260.0202 NA KEGG NA NA +MJ017364 Galactose 6-sulfate C6H12O9S 260.020202 NA MeJP NA NA +MJ017365 D-Glucose 6-sulfate C6H12O9S 260.020202 NA MeJP NA NA +MetaCyc02335 D-glucose 6-sulfate [] C6H12O9S1 260.020203 NA metacyc NA NA +MJ017366 N5-Phosphomethionine sulfoximine C5H13N2O6PS 260.023193 NA MeJP NA NA +C07047 Ifosfamide C7H15Cl2N2O2P 260.0248 NA KEGG NA NA +C07048 Transferred to D00344 C7H15Cl2N2O2P 260.0248 NA KEGG NA NA +C07888 Cyclophosphamide C7H15Cl2N2O2P 260.0248 NA KEGG NA NA +MJ017367 Cyclophosphamide C7H15Cl2N2O2P 260.024819 NA MeJP NA NA +MJ017368 Ifosfamide C7H15Cl2N2O2P 260.024819 NA MeJP NA NA +C00085 D-Fructose 6-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C00092 D-Glucose 6-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C00103 D-Glucose 1-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C00275 D-Mannose 6-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C00446 alpha-D-Galactose 1-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C00636 D-Mannose 1-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C00663 beta-D-Glucose 1-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C00668 alpha-D-Glucose 6-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C01002 Hexose 1-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C01003 Myosin light chain C4H6N2O3R2 260.0297 NA KEGG NA NA +C01094 D-Fructose 1-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C01097 D-Tagatose 6-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C01113 D-Galactose 6-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C01171 alpha-D-Hexose 1-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C01172 beta-D-Glucose 6-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C01177 Inositol 1-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C02888 Sorbose 1-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C02962 D-Allose 6-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C02965 D-Hexose 6-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C02967 DNA 5-methylcytosine C10H16N3O7P 260.0297 NA KEGG NA NA +C02976 Fructose 1-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C03251 Aldohexose 6-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C03252 Aliphatic hydroxy acid C2H3O3R 260.0297 NA KEGG NA NA +C03253 Amino acid(Arg-, Lys-) C2H3O3R 260.0297 NA KEGG NA NA +C03254 Aryl dialkyl phosphate C6H5O4PR2 260.0297 NA KEGG NA NA +C03267 beta-D-Fructose 2-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C03268 D-Mannosylglycoprotein C6H11O6R 260.0297 NA KEGG NA NA +C03384 D-Galactose 1-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C03546 myo-Inositol 4-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C03547 omega-Hydroxy fatty acid H2CO3 260.0297 NA KEGG NA NA +C03606 D-Hamamelose 2(1)-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C03607 Deoxynucleoside phosphate C5H10O6PR 260.0297 NA KEGG NA NA +C03610 Fab fragment of human IgA C5H10O6PR 260.0297 NA KEGG NA NA +C03611 Galactose oligosaccharide C6H11O5R 260.0297 NA KEGG NA NA +C03613 Inactivated anaphylatoxin C6H11O5R 260.0297 NA KEGG NA NA +C03654 (3S,4R)-Ketose 1-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C03735 alpha-D-Hexose 6-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C03811 alpha-D-Glucose 3-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C04006 1D-myo-Inositol 3-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C05001 Fructose 1-phosphate(pyranose) C6H13O9P 260.0297 NA KEGG NA NA +C05345 beta-D-Fructose 6-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C06019 D-arabino-Hex-3-ulose 6-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C06020 Methylcorrinoid C20H3CoN4R21 260.0297 NA KEGG NA NA +C06021 Corrinoid C19CoN4R21 260.0297 NA KEGG NA NA +C06155 L-myo-Inositol 5-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C06312 L-Tagatose 6-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C15924 L-Gulose 1-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C15926 L-Galactose 1-phosphate C6H13O9P 260.0297 NA KEGG NA NA +C18096 D-Allulose 6-phosphate C6H13O9P 260.0297 NA KEGG NA NA +MJ017369 1D-myo-Inositol 3-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017370 1L-myo-Inositol 1-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017371 3-Oxohexulose 6-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017372 D-Fructose 1-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017373 D-Fructose 2-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017374 D-Fructose 6-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017375 D-Galactose 6-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017376 D-Glucose 1-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017377 D-Glucose 6-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017378 D-Mannose 1-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017379 D-Mannose 6-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017380 D-Tagatose 6-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017381 Sorbose 1-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017382 alpha-D-Galactose 1-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017383 alpha-D-Glucose 6-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017384 beta-D-Fructose 6-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017385 beta-D-Glucose 1-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017386 beta-D-Glucose 6-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017387 myo-Inositol 4-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017388 Fructose 6-dihydrogen phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017389 Galactose 1-dihydrogen phosphate; ?-D-Pyranose-form C6H13O9P 260.029718 NA MeJP NA NA +MJ017390 Galactose 1-dihydrogen phosphate; ?-D-Pyranose-form C6H13O9P 260.029718 NA MeJP NA NA +MJ017391 Glucose 1-dihydrogen phosphate C6H13O9P 260.029718 NA MeJP NA NA +MJ017392 Glucose-6-phosphate C6H13O9P 260.029718 NA MeJP NA NA +MetaCyc02336 L-tagatose-6-phosphate [L-tagatose 6-phosphate;] C6H13O9P1 260.029719 136598-66-8 metacyc NA NA +MetaCyc02337 D-hexose 6-phosphate [] C6H13O9P1 260.029719 NA metacyc NA NA +MetaCyc02338 D-hamamelose 2'-phosphate [[2,4,5-trihydroxy-3-(hydroxymethyl)tetrahydropyran-3-yl] oxyphosphonic acid;] C6H13O9P1 260.029719 NA metacyc NA NA +MetaCyc02339 L-sorbose 1-phosphate [L-sorbose 1-P;] C6H13O9P1 260.029719 NA metacyc NA NA +MetaCyc02340 β-D-Glucose 1-phosphate [] C6H13O9P1 260.029719 NA metacyc NA NA +MetaCyc02341 hexulose 6-phosphate [H6P;D-arabino-3-hexulose 6-P;D-arabino-3-hexulose 6-phosphate;] C6H13O9P1 260.029719 NA metacyc NA NA +MetaCyc02342 α-D-galactopyranose 1-phosphate [α-D-Gal-1-P;] C6H13O9P1 260.029719 NA metacyc NA NA +MetaCyc02343 D-myo-inositol (4)-monophosphate [D-myo-inositol (4)-phosphate;1D-myo-inositol (4)-monophosphate;inositol 4-phosphate;1D-myo-inositol (4)-phosphate;Ins(4)P1;Ins(4)P;Ins4P;] C6H13O9P1 260.029719 46495-39-0 metacyc NA NA +MetaCyc02344 tagatose-6-phosphate [D-tagatose 6-phosphate;] C6H13O9P1 260.029719 NA metacyc NA NA +MetaCyc02345 mannose-6-phosphate [D-mannose-6-phosphate;α-D-mannose-6-phosphate;α-D-mannose-6-P;] C6H13O9P1 260.029719 3672-15-9 metacyc NA NA +MetaCyc02346 β-D-glucose-6-phosphate [D-glucose-6-P;glucose-6-P;glucose-6-phosphate;β-D-glucose-6-P;D-glucose-6-phosphate;] C6H13O9P1 260.029719 NA metacyc NA NA +MetaCyc02347 D-fructose-6-phosphate [fructose-6P;fructose-6-P;fruc6p;fru-6-P;fructose-6-phosphate;A-D-fructose-6-P;D-fructose-6-P;] C6H13O9P1 260.029719 643-13-0 metacyc NA NA +MetaCyc02348 fructose-1-phosphate [fructose-1-P;fructose-1-phosphate;D-fructose-1-phosphate;β-D-fructose-1-P;β-D-fructose-1-phosphate;] C6H13O9P1 260.029719 15978-08-2 metacyc NA NA +MetaCyc02349 D-allose-6-phosphate [D-allose-6-P;] C6H13O9P1 260.029719 147-94-4 metacyc NA NA +MetaCyc02350 α-D-glucose-6-phosphate [α-glucose-6-phosphate;α-D-glucose-6-P;] C6H13O9P1 260.029719 56-73-5 metacyc NA NA +MetaCyc02351 D-allulose-6-phosphate [Allulose 6-phosphate;D-allulose-6-P;] C6H13O9P1 260.029719 NA metacyc NA NA +MetaCyc02352 D-galactose 6-phosphate [6-phospho-D-galactose;] C6H13O9P1 260.029719 32972-52-4 metacyc NA NA +MetaCyc02353 α-D-mannose 1-phosphate [mannose-1-phosphate;D-mannose-1-phosphate;mannose-1-P;] C6H13O9P1 260.029719 27251-84-9 metacyc NA NA +MetaCyc02354 α-D-glucose 1-phosphate [glucose 1-phosphate;cori ester;D-glucose 1-phosphate;glucose-1P;α-glucose-1-phosphate;D-glucose-α-1-phosphate;α-D-glucose-1-P;D-glucose-1-phosphate;] C6H13O9P1 260.029719 59-56-3 metacyc NA NA +MetaCyc02355 α-D-galactose 1-phosphate [galactose-1P;galactose-1-P;D-galactose-1-phosphate;galactose-1-phosphate;] C6H13O9P1 260.029719 2255-14-3 metacyc NA NA +MetaCyc02356 β-D-fructose-2-phosphate [β-D-fructofuranose 2-phosphate;] C6H13O9P1 260.029719 NA metacyc NA NA +HMDB00124 Fructose 6-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB00124 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00645 Galactose 1-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB00645 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01401 Glucose 6-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB01401 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00124 Fructose 6-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB00124 HMDB NA NA +HMDB00213 Myoinositol 1-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB00213 HMDB NA NA +HMDB00645 Galactose 1-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB00645 HMDB NA NA +HMDB00994 Dolichyl phosphate D-mannose C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB00994 HMDB NA NA +HMDB01076 Fructose 1-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB01076 HMDB NA NA +HMDB01078 Mannose 6-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB01078 HMDB NA NA +HMDB01313 D-Myoinositol 4-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB01313 HMDB NA NA +HMDB01401 Glucose 6-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB01401 HMDB NA NA +HMDB01586 Glucose 1-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB01586 HMDB NA NA +HMDB02985 Inositol phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB02985 HMDB NA NA +HMDB03498 beta-D-Glucose 6-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB03498 HMDB NA NA +HMDB03971 beta-D-Fructose 6-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB03971 HMDB NA NA +HMDB06328 D-Tagatose 1-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB06328 HMDB NA NA +HMDB06330 D-Mannose 1-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB06330 HMDB NA NA +HMDB06793 alpha-D-Glucose 6-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB06793 HMDB NA NA +HMDB06797 Sorbose 1-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB06797 HMDB NA NA +HMDB06800 beta-D-Fructose 2-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB06800 HMDB NA NA +HMDB06814 1D-myo-Inositol 3-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB06814 HMDB NA NA +HMDB06873 D-Tagatose 6-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB06873 HMDB NA NA +HMDB00124 Fructose 6-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB00124 PFEM_hmdb_metabocards_blood NA blood +HMDB00645 Galactose 1-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB00645 PFEM_hmdb_metabocards_blood NA blood +HMDB01401 Glucose 6-phosphate C6H13O9P 260.02972 http://www.hmdb.ca/metabolites/HMDB01401 PFEM_hmdb_metabocards_blood NA blood +HMDB00124 Fructose 6-phosphate C6H13O9P 260.02972 HMDB00124 PFEM_hmdb_metabocards_official NA NA +HMDB00213 Myoinositol 1-phosphate C6H13O9P 260.02972 HMDB00213 PFEM_hmdb_metabocards_official NA NA +HMDB00645 Galactose 1-phosphate C6H13O9P 260.02972 HMDB00645 PFEM_hmdb_metabocards_official NA NA +HMDB00994 Dolichyl phosphate D-mannose C6H13O9P 260.02972 HMDB00994 PFEM_hmdb_metabocards_official NA NA +HMDB01076 Fructose 1-phosphate C6H13O9P 260.02972 HMDB01076 PFEM_hmdb_metabocards_official NA NA +HMDB01078 Mannose 6-phosphate C6H13O9P 260.02972 HMDB01078 PFEM_hmdb_metabocards_official NA NA +HMDB01313 D-Myoinositol 4-phosphate C6H13O9P 260.02972 HMDB01313 PFEM_hmdb_metabocards_official NA NA +HMDB01401 Glucose 6-phosphate C6H13O9P 260.02972 HMDB01401 PFEM_hmdb_metabocards_official NA NA +HMDB01586 Glucose 1-phosphate C6H13O9P 260.02972 HMDB01586 PFEM_hmdb_metabocards_official NA NA +HMDB02985 Inositol phosphate C6H13O9P 260.02972 HMDB02985 PFEM_hmdb_metabocards_official NA NA +HMDB03498 beta-D-Glucose 6-phosphate C6H13O9P 260.02972 HMDB03498 PFEM_hmdb_metabocards_official NA NA +HMDB03971 beta-D-Fructose 6-phosphate C6H13O9P 260.02972 HMDB03971 PFEM_hmdb_metabocards_official NA NA +HMDB06328 D-Tagatose 1-phosphate C6H13O9P 260.02972 HMDB06328 PFEM_hmdb_metabocards_official NA NA +HMDB06330 D-Mannose 1-phosphate C6H13O9P 260.02972 HMDB06330 PFEM_hmdb_metabocards_official NA NA +HMDB06793 alpha-D-Glucose 6-phosphate C6H13O9P 260.02972 HMDB06793 PFEM_hmdb_metabocards_official NA NA +HMDB06797 Sorbose 1-phosphate C6H13O9P 260.02972 HMDB06797 PFEM_hmdb_metabocards_official NA NA +HMDB06800 beta-D-Fructose 2-phosphate C6H13O9P 260.02972 HMDB06800 PFEM_hmdb_metabocards_official NA NA +HMDB06814 1D-myo-Inositol 3-phosphate C6H13O9P 260.02972 HMDB06814 PFEM_hmdb_metabocards_official NA NA +HMDB06873 D-Tagatose 6-phosphate C6H13O9P 260.02972 HMDB06873 PFEM_hmdb_metabocards_official NA NA +HMDB00124 Fructose 6-phosphate C6H13O9P 260.029724 NA HMDB2010 NA NA +HMDB00213 Myo-inositol 1-phosphate C6H13O9P 260.029724 NA HMDB2010 NA NA +HMDB00645 Galactose 1-phosphate C6H13O9P 260.029724 NA HMDB2010 NA NA +HMDB00994 Dolichyl phosphate D-mannose C6H13O9P 260.029724 NA HMDB2010 NA NA +HMDB01076 Fructose 1-phosphate C6H13O9P 260.029724 NA HMDB2010 NA NA +HMDB01078 Mannose 6-phosphate C6H13O9P 260.029724 NA HMDB2010 NA NA +HMDB01313 D-Myo-inositol 4-phosphate C6H13O9P 260.029724 NA HMDB2010 NA NA +HMDB01401 Glucose 6-phosphate C6H13O9P 260.029724 NA HMDB2010 NA NA +HMDB01586 Glucose 1-phosphate C6H13O9P 260.029724 NA HMDB2010 NA NA +HMDB02985 Inositol phosphate C6H13O9P 260.029724 NA HMDB2010 NA NA +HMDB03498 Beta-D-Glucose 6-phosphate C6H13O9P 260.029724 NA HMDB2010 NA NA +HMDB03971 Beta-D-Fructose 6-phosphate C6H13O9P 260.029724 NA HMDB2010 NA NA +HMDB06328 D-Tagatose 1-phosphate C6H13O9P 260.029724 NA HMDB2010 NA NA +HMDB06330 D-Mannose 1-phosphate C6H13O9P 260.029724 NA HMDB2010 NA NA +HMDB06797 Sorbose 1-phosphate C6H13O9P 260.029724 NA HMDB2010 NA NA +HMDB06800 Beta-D-Fructose 2-phosphate C6H13O9P 260.029724 NA HMDB2010 NA NA +HMDB06814 1D-myo-Inositol 3-phosphate C6H13O9P 260.029724 NA HMDB2010 NA NA +HMDB06873 D-Tagatose 6-phosphate C6H13O9P 260.029724 NA HMDB2010 NA NA +MJ017393 1,2,6,8-Tetrahydroxyxanthone C13H8O6 260.032087 NA MeJP NA NA +MJ017394 1,3,5,6-Tetrahydroxyxanthone C13H8O6 260.032087 NA MeJP NA NA +MJ017395 1,3,5,7-Tetrahydroxyxanthone C13H8O6 260.032087 NA MeJP NA NA +MJ017396 1,3,5,8-Tetrahydroxyxanthone C13H8O6 260.032087 NA MeJP NA NA +MJ017397 1,3,6,7-Tetrahydroxyxanthone C13H8O6 260.032087 NA MeJP NA NA +MJ017398 2,3,5,6-Tetrahydroxyxanthone C13H8O6 260.032087 NA MeJP NA NA +MJ017399 2,3,6,7-Tetrahydroxyxanthone C13H8O6 260.032087 NA MeJP NA NA +MJ017400 2,4,7-Trihydroxy-5-methyl-1,8-naphthalenedicarboxylic acid; Anhydride C13H8O6 260.032087 NA MeJP NA NA +MJ017401 3,4,5,6-Tetrahydroxyxanthone C13H8O6 260.032087 NA MeJP NA NA +MJ017402 5-Hydroxy-3-methylnaphtho[2,3-c]furan-4(9H)-one; 1',8-Dihydroxy, 9-oxo C13H8O6 260.032087 NA MeJP NA NA +MJ017403 Hymenoquinone C13H8O6 260.032087 NA MeJP NA NA +MetaCyc02357 1,3,5,6-tetrahydroxyxanthone [] C13H8O6 260.032088 NA metacyc NA NA +MetaCyc02358 1,3,5,8-tetrahydroxyxanthone [] C13H8O6 260.032088 NA metacyc NA NA +MetaCyc02359 1,3,6,7-tetrahydroxyxanthone [] C13H8O6 260.032088 NA metacyc NA NA +C10056 Demethylbellidifolin C13H8O6 260.0321 NA KEGG NA NA +C10086 Norathyriol C13H8O6 260.0321 NA KEGG NA NA +C10088 Norswertianin C13H8O6 260.0321 NA KEGG NA NA +MJ017404 Phorbazole D C13H9ClN2O2 260.035255 NA MeJP NA NA +MJ017405 Sulprosal C10H12O6S 260.035458 NA MeJP NA NA +MJ017406 Nitralamine C10H13ClN2O2S 260.038626 NA MeJP NA NA +MJ017407 Rogiolal C11H17BrO2 260.041192 NA MeJP NA NA +MJ017408 2-Thiouridine C9H12N2O5S 260.046692 NA MeJP NA NA +MJ017409 4-Thiouridine C9H12N2O5S 260.046692 NA MeJP NA NA +MJ017410 Sulocarbilate C9H12N2O5S 260.046692 NA MeJP NA NA +MJ017411 Tiazofurine C9H12N2O5S 260.046692 NA MeJP NA NA +MetaCyc02360 2-thiouridine [s2U;] C9H12N2O5S1 260.046692 NA metacyc NA NA +C07320 Suprofen C14H12O3S 260.0507 NA KEGG NA NA +MJ017412 1-Ethylphenoxathiin 10,10-dioxide C14H12O3S 260.050714 NA MeJP NA NA +MJ017413 Suprofen C14H12O3S 260.050714 NA MeJP NA NA +MJ017414 Tiaprofenic acid C14H12O3S 260.050714 NA MeJP NA NA +MJ017415 [2-(8,9-Dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)ethyl]phosphonic acid C9H13N2O5P 260.056208 NA MeJP NA NA +MJ017416 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol, Ac C15H13ClO2 260.060407 NA MeJP NA NA +MJ017417 2-Chloro-3-(7-nonene-1,3,5-triynyl)cyclopropanemethanol, Ac C15H13ClO2 260.060407 NA MeJP NA NA +MJ017418 5-Hydroxyuridine C9H12N2O7 260.06445 NA MeJP NA NA +MJ017419 1-Hydroxy-3,6-bis[2-(methylthio)ethyl]-2(1H)-pyrazinone C10H16N2O2S2 260.065319 NA MeJP NA NA +JH172 Trimethoxycinnamic acid (3,4,5-) [M+Na]+ NA 260.0668 15.69 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH172 Trimethoxycinnamic acid (3,4,5-) [M+Na]+ NA 260.0668 15.69 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH172 Trimethoxycinnamic acid (3,4,5-) [M+Na]+ NA 260.0668 15.69 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH172 Trimethoxycinnamic acid (3,4,5-) [M+Na]+ NA 260.0668 15.69 Inhousejuil11 NA NA +MJ017420 1,6,7,8-Dibenzofurantetrol; 6,8-Di-Me ether C14H12O5 260.068473 NA MeJP NA NA +MJ017421 1-(3,5-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene C14H12O5 260.068473 NA MeJP NA NA +MJ017422 2,2',4,5-Tetrahydroxybenzophenone; 4-Me ether C14H12O5 260.068473 NA MeJP NA NA +MJ017423 2,3,4,7-Dibenzofurantetrol; 3,4-Di-Me ether C14H12O5 260.068473 NA MeJP NA NA +MJ017424 2,4,4',5-Tetrahydroxybenzophenone; 4-Me ether C14H12O5 260.068473 NA MeJP NA NA +MJ017425 2,4,4',6-Tetrahydroxybenzophenone; 4-Me ether C14H12O5 260.068473 NA MeJP NA NA +MJ017426 2-Methoxystypandrone C14H12O5 260.068473 NA MeJP NA NA +MJ017427 3-Acetyl-5,7-dihydroxy-2-methyl-1,4-naphthoquinone; 7-Me ether C14H12O5 260.068473 NA MeJP NA NA +MJ017428 4-(7-Hydroxy-2-oxo-2H-1-benzopyran-6-yl)-2-methyl-2-butenoic acid C14H12O5 260.068473 NA MeJP NA NA +MJ017429 5-Hydroxy-7-methyl-6-(2-oxopropyl)-1,4-naphthoquinone; 8-Hydroxy C14H12O5 260.068473 NA MeJP NA NA +MJ017430 6-Hydroxy-5,7-dimethoxynaphtho[2,3-c]furan-1(3H)-one C14H12O5 260.068473 NA MeJP NA NA +MJ017431 7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone; 2-Me ether C14H12O5 260.068473 NA MeJP NA NA +MJ017432 7-Hydroxy-2H-1-benzopyran-2-one; O-(3-Carboxy-2-butenyl)(E-) C14H12O5 260.068473 NA MeJP NA NA +MJ017433 Clausenin C14H12O5 260.068473 NA MeJP NA NA +MJ017434 Deoxytalaroflavone C14H12O5 260.068473 NA MeJP NA NA +MJ017435 Hyphodermin C14H12O5 260.068473 NA MeJP NA NA +MJ017436 Isopatulin; 3-Hydroxybenzyl ether C14H12O5 260.068473 NA MeJP NA NA +MJ017437 Khellin C14H12O5 260.068473 NA MeJP NA NA +MJ017438 Nectriachrysone; O-De-Me C14H12O5 260.068473 NA MeJP NA NA +MJ017439 Obliquin, 5'-Hydroxy C14H12O5 260.068473 NA MeJP NA NA +MJ017440 Obliquin, 5-Hydroxy C14H12O5 260.068473 NA MeJP NA NA +MJ017441 Pratenol A C14H12O5 260.068473 NA MeJP NA NA +MJ017442 Semivioxanthin, O-De-Me C14H12O5 260.068473 NA MeJP NA NA +C09010 Khellin C14H12O5 260.0685 NA KEGG NA NA +MJ017443 N-(2-Chloro-6-methylphenyl)-6-methyl-3-pyridinecarboxamide C14H13ClN2O 260.07164 NA MeJP NA NA +MJ017444 Motapizone C12H12N4OS 260.073181 NA MeJP NA NA +MJ017445 Dezinamide C11H11F3N2O2 260.077262 NA MeJP NA NA +MJ017446 1,2,3,4-Tetrahydro-?-carboline-1,3-dicarboxylic acid C13H12N2O4 260.079706 NA MeJP NA NA +CJneg0473 Sebacic acid [(M-H)+(NaCl)]- C10H17O4ClNa 260.079725 C18rt(min)=7.65 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0473 Sebacic acid [(M-H)+(NaCl)]- C10H17O4ClNa 260.079725 C18rt(min)=7.65 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ017447 Clevudine C10H13FN2O5 260.080849 NA MeJP NA NA +MJ017448 Biotin, S-Oxide C10H16N2O4S 260.083077 NA MeJP NA NA +MetaCyc02361 d-biotin d-sulfoxide [biotin sulfoxide;1H-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5-oxide, (3aS,4S,5S,6aR)-;1H-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5-oxide, (3aS-(3aα,4β,5α,6aα))-;] C10H16N2O4S1 260.083078 NA metacyc NA NA +MJ017449 9-(2-Thienyl)-4,6-nonadien-8-yn-1-ol; Ac C15H16O2S 260.0871 NA MeJP NA NA +MJ017450 3-Furanmethanol; O-?-D-Glucopyranoside C11H16O7 260.089602 NA MeJP NA NA +MJ017451 Posoquenin; 3,4-Dihydro, stereoisomer C11H16O7 260.089602 NA MeJP NA NA +MJ017452 Benznidazole C12H12N4O3 260.09094 NA MeJP NA NA +MJ017453 Furafylline C12H12N4O3 260.09094 NA MeJP NA NA +MJ017454 13-Oxoellipticine C17H12N2O 260.094963 NA MeJP NA NA +MJ017455 Infractopicrine C17H13N2O(+) 260.094963 NA MeJP NA NA +MJ017456 16-Chloro-7,13,15-hexadecatriene-9,11-diyn-2-ol; Ketone C16H17ClO 260.096792 NA MeJP NA NA +CJpos0653 Threonine (and isomer) [2M+Na]+ C8H18O6N2Na 260.097875 C18rt(min)=0.88 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0653 Threonine (and isomer) [2M+Na]+ C8H18O6N2Na 260.097875 C18rt(min)=0.88 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB11161 L-alpha-glutamyl-L-hydroxyproline C10H16N2O6 260.10083 NA HMDB2010 NA NA +MJ017457 Oxypinnatanine C10H16N2O6 260.100836 NA MeJP NA NA +MJ017458 1(10),3-Guaiadiene-12,6:14,2-diolide C15H16O4 260.104859 NA MeJP NA NA +MJ017459 1(10),4,11(13)-Germacratriene-12,6;14,8-diolide C15H16O4 260.104859 NA MeJP NA NA +MJ017460 1(10),4,11(13)-Germacratriene-12,8;14,3-diolide C15H16O4 260.104859 NA MeJP NA NA +MJ017461 1(10),4,11(13)-Germacratriene-12,8;15,6-diolide C15H16O4 260.104859 NA MeJP NA NA +MJ017462 1,10-Epoxy-2-hydroxy-3,11(13)-guaiadien-12,6-olide, 2-Ketone C15H16O4 260.104859 NA MeJP NA NA +MJ017463 1,10-Epoxyfuranoeremophilane-6,9-diol, Diketone C15H16O4 260.104859 NA MeJP NA NA +MJ017464 1,10:8,12-Diepoxy-4,7,11-germacratrien-15,6-olide C15H16O4 260.104859 NA MeJP NA NA +MJ017465 1,4-Epidioxy-2,9,11(13)-guaiatrien-12,6-olide C15H16O4 260.104859 NA MeJP NA NA +MJ017466 1-(2,4-Dihydroxyphenyl)-3-(3-hydroxyphenyl)-2-propanol C15H16O4 260.104859 NA MeJP NA NA +MJ017467 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propanol C15H16O4 260.104859 NA MeJP NA NA +MJ017468 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethane; 3-Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017469 1-(3-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 4-Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017470 10-Hydroxy-2,8-decadiene-4,6-diynoic acid, O-(2-Methylpropanoyl), Me ester C15H16O4 260.104859 NA MeJP NA NA +MJ017471 11,13-Epoxy-3-hydroxy-4(15),10(14)-guaiadien-12,6-olide, 3-Ketone C15H16O4 260.104859 NA MeJP NA NA +MJ017472 15-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 11,13-Didehydro C15H16O4 260.104859 NA MeJP NA NA +MJ017473 2,3'-Dihydroxy-4-methoxy-5',6-dimethyldiphenyl ether C15H16O4 260.104859 NA MeJP NA NA +MJ017474 2,3,8-Trihydroxy-4-isopropyl-6-methyl-1-naphthalenecarboxaldehyde C15H16O4 260.104859 NA MeJP NA NA +MJ017475 2,7-Dihydroxy-5-isopropyl-3-methyl-1,4-naphthoquinone; 2-Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017476 2,9-Epoxy-8-oxo-3,6-lactaradien-5,14-olide C15H16O4 260.104859 NA MeJP NA NA +MJ017477 2-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 1?,10?-Epoxide C15H16O4 260.104859 NA MeJP NA NA +MJ017478 3,4-Epoxy-2-hydroxy-1(10),11(13)-guaiadien-12,6-olide, 2-Ketone C15H16O4 260.104859 NA MeJP NA NA +MJ017479 3,7-Dihydroxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one; 3-Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017480 3,7-Dihydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one; 3-Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017481 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-Ketone C15H16O4 260.104859 NA MeJP NA NA +MJ017482 3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 11,13-Didehydro, 3-ketone C15H16O4 260.104859 NA MeJP NA NA +MJ017483 3-(1,1-Dimethyl-2-propenyl)-6,7-dihydroxy-2H-1-benzopyran-2-one; 6-Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017484 3-(1,1-Dimethyl-2-propenyl)-6,7-dihydroxy-2H-1-benzopyran-2-one; 7-Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017485 3-(1,1-Dimethyl-2-propenyl)-7,8-dihydroxy-2H-1-benzopyran-2-one; 7-Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017486 3-(3-Hydroxy-3-methyl-1-butenyl)-7-methoxy-2H-1-benzopyran-2-one C15H16O4 260.104859 NA MeJP NA NA +MJ017487 3-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 11,13-Didehydro, 3-Hydroxy C15H16O4 260.104859 NA MeJP NA NA +MJ017488 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Epoxide, 3-ketone C15H16O4 260.104859 NA MeJP NA NA +MJ017489 3-Oxo-1,4,11(13)-eudesmatrien-12,8-olide, 1?,2?-Epoxide C15H16O4 260.104859 NA MeJP NA NA +MJ017490 5,12-Epoxy-2-hydroxy-1,4,6-cadinatriene-3,8-dione C15H16O4 260.104859 NA MeJP NA NA +MJ017491 5,14-Epoxy-3-hydroxy-2(9),5,7(14)-lactaratrien-4,8-dione C15H16O4 260.104859 NA MeJP NA NA +MJ017492 5,6,9,10-Tetradehydro-1,4:3,14-diepoxy-4-hydroxy-4,5-secofuranoeremophilane C15H16O4 260.104859 NA MeJP NA NA +MJ017493 5,7-Dihydroxy-2H-1-benzopyran-2-one; 5-O-(3-Methyl-2-butenyl), 7-Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017494 5,7-Dihydroxy-8-prenylcoumarin; 7-Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017495 5-Acetyl-6-hydroxy-2-isopropenyl-7-methoxybenzofuran; 6-Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017496 5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide C15H16O4 260.104859 NA MeJP NA NA +MJ017497 5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, 14-Hydroxy, lactone C15H16O4 260.104859 NA MeJP NA NA +MJ017498 6-(Hydroxyacetyl)-2,2-dimethyl-2H-benzopyran; Ac C15H16O4 260.104859 NA MeJP NA NA +MJ017499 6-Hydroxy-7-methoxy-2H-1-benzopyran-2-one; O-(3-Methyl-2-butenyl) C15H16O4 260.104859 NA MeJP NA NA +MJ017500 7(11),8-Eremophiladiene-12,8:15,6-diolide; 6?-form C15H16O4 260.104859 NA MeJP NA NA +MJ017501 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl), O8-Me C15H16O4 260.104859 NA MeJP NA NA +MJ017502 7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(3-Methyl-2-butenyl), O7-Me C15H16O4 260.104859 NA MeJP NA NA +MJ017503 7,8-Dihydroxy-6-prenylcoumarin; 7-Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017504 7,8-Dihydroxy-6-prenylcoumarin; 8-Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017505 7-Hydroxy-6-(3-hydroxy-3-methyl-1-butenyl)-2H-1-benzopyran-2-one, 7-Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017506 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(1,1-Dimethyl-2-propenyl) C15H16O4 260.104859 NA MeJP NA NA +MJ017507 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(3-Methyl-2-butenyl) C15H16O4 260.104859 NA MeJP NA NA +MJ017508 7-Hydroxy-6-prenylcoumarin; 2',3'-Epoxide, Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017509 7-Hydroxy-8-(3-oxo-2-methylbutyl)-2H-1-benzopyran-2-one; Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017510 8,12-Epoxy-1(10),4,7,11-germacratetraen-15,6-olide, 4?,5?-Epoxide C15H16O4 260.104859 NA MeJP NA NA +MJ017511 8,14-Dioxo-1(10),4,7(11)-germacratrien-12,6-olide C15H16O4 260.104859 NA MeJP NA NA +MJ017512 8,9-Epoxy-14-oxo-1(10),4,7(11)-germacratrien-12,6-olide C15H16O4 260.104859 NA MeJP NA NA +MJ017513 8-Hydroxy-1-oxo-3,7(11),9-eremophilatrien-12,8-olide C15H16O4 260.104859 NA MeJP NA NA +MJ017514 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide C15H16O4 260.104859 NA MeJP NA NA +MJ017515 8-Hydroxy-2-oxo-1(10),3,7(11)-guaiatrien-12,6-olide C15H16O4 260.104859 NA MeJP NA NA +MJ017516 9-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide C15H16O4 260.104859 NA MeJP NA NA +MJ017517 9-Hydroxy-3-oxo-4(15),10(14),11(13)-guaiatrien-12,6-olide C15H16O4 260.104859 NA MeJP NA NA +MJ017518 Arnottinin; (E)-Isomer, 7-Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017519 Artemisenol, Ac C15H16O4 260.104859 NA MeJP NA NA +MJ017520 Aspergione D C15H16O4 260.104859 NA MeJP NA NA +MJ017521 Auraptenol C15H16O4 260.104859 NA MeJP NA NA +MJ017522 Azedaralide C15H16O4 260.104859 NA MeJP NA NA +MJ017523 Bitalin A, 12-Ac C15H16O4 260.104859 NA MeJP NA NA +MJ017524 Boninenal; 4'-Carboxylic acid, Me ester C15H16O4 260.104859 NA MeJP NA NA +MJ017525 Bothrioclinin; 3,4-Dihydro, 3?-hydroxy C15H16O4 260.104859 NA MeJP NA NA +MJ017526 Brachymeral C15H16O4 260.104859 NA MeJP NA NA +MJ017527 Breviquinone C15H16O4 260.104859 NA MeJP NA NA +MJ017528 Cedrelopsin C15H16O4 260.104859 NA MeJP NA NA +MJ017529 Celerin C15H16O4 260.104859 NA MeJP NA NA +MJ017530 Citreopyrones; Citreopyrone D C15H16O4 260.104859 NA MeJP NA NA +MJ017531 Citrusal C15H16O4 260.104859 NA MeJP NA NA +MJ017532 Dehydrogeijerin; 2',3'-Dihydro C15H16O4 260.104859 NA MeJP NA NA +MJ017533 Demethylcacalohastine; 3?,14-Dihydroxy C15H16O4 260.104859 NA MeJP NA NA +MJ017534 Drupanin; 2''-Oxo, Me ester C15H16O4 260.104859 NA MeJP NA NA +MJ017535 Emmotin I C15H16O4 260.104859 NA MeJP NA NA +MJ017536 Ferreyrantholide C15H16O4 260.104859 NA MeJP NA NA +MJ017537 Fomajorin D; 13-Hydroxy C15H16O4 260.104859 NA MeJP NA NA +MJ017538 Glaupalol C15H16O4 260.104859 NA MeJP NA NA +MJ017539 Griesenin C15H16O4 260.104859 NA MeJP NA NA +MJ017540 Heliclactone C15H16O4 260.104859 NA MeJP NA NA +MJ017541 Heteropeucenin C15H16O4 260.104859 NA MeJP NA NA +MJ017542 Hydrogrammic acid C15H16O4 260.104859 NA MeJP NA NA +MJ017543 Isoerlangeafusciol C15H16O4 260.104859 NA MeJP NA NA +MJ017544 Marasmone; 3-Deoxy, 2,3-didehydro C15H16O4 260.104859 NA MeJP NA NA +MJ017545 Meranzin C15H16O4 260.104859 NA MeJP NA NA +MJ017546 Murraol C15H16O4 260.104859 NA MeJP NA NA +MJ017547 Mycosinol; 2,3,8,9-Tetrahydro, 4-deoxy, 8-acetoxy C15H16O4 260.104859 NA MeJP NA NA +MJ017548 Nieshoutin C15H16O4 260.104859 NA MeJP NA NA +MJ017549 Obliquetol; 6-Me ether C15H16O4 260.104859 NA MeJP NA NA +MJ017550 Pergillin C15H16O4 260.104859 NA MeJP NA NA +MJ017551 Peucenin C15H16O4 260.104859 NA MeJP NA NA +MJ017552 Pleurotellol; Carboxylic acid C15H16O4 260.104859 NA MeJP NA NA +MJ017553 Porelladiolide C15H16O4 260.104859 NA MeJP NA NA +MJ017554 Pterolactone B; 12-Deoxy C15H16O4 260.104859 NA MeJP NA NA +MJ017555 Pyroangolensolide; 14?,15?-Epoxide C15H16O4 260.104859 NA MeJP NA NA +MJ017556 Scabequinone C15H16O4 260.104859 NA MeJP NA NA +MJ017557 Sterepolide C15H16O4 260.104859 NA MeJP NA NA +MJ017558 Tamarin C15H16O4 260.104859 NA MeJP NA NA +MJ017559 Toxol; Ac C15H16O4 260.104859 NA MeJP NA NA +MJ017560 Wyerone acid, 11,12-Dihydro, Me ester C15H16O4 260.104859 NA MeJP NA NA +MJ017561 Wyerone acid, 8-Alcohol, Me ester C15H16O4 260.104859 NA MeJP NA NA +MJ017562 Xanthoxyletin; 6,7-Dihydro C15H16O4 260.104859 NA MeJP NA NA +MJ017563 Yangonin; 5,6-Dihydro C15H16O4 260.104859 NA MeJP NA NA +MJ017564 Yangonin; 7,8-Dihydro C15H16O4 260.104859 NA MeJP NA NA +C09392 8-Deoxylactucin C15H16O4 260.1049 NA KEGG NA NA +C09495 Linderane C15H16O4 260.1049 NA KEGG NA NA +C09680 Hemigossypol C15H16O4 260.1049 NA KEGG NA NA +C09923 Cyperine C15H16O4 260.1049 NA KEGG NA NA +C13634 2,3-Bis(4-hydroxyphenyl)-1,2-propanediol C15H16O4 260.1049 NA KEGG NA NA +C16812 Homobaldrinal C15H16O4 260.1049 NA KEGG NA NA +MJ017565 Villagorgin B C16H13N4(+) 260.106196 NA MeJP NA NA +PJ000111 NQ C9H16N4O5 260.1121 NA PeJP NA NA +MJ017566 Barbital; N-Ph C14H16N2O3 260.116092 NA MeJP NA NA +MJ017567 Cyclo(4-hydroxyprolylphenylalanyl) C14H16N2O3 260.116092 NA MeJP NA NA +MJ017568 Cyclo(prolyltyrosyl) C14H16N2O3 260.116092 NA MeJP NA NA +MJ017569 Nadoxolol C14H16N2O3 260.116092 NA MeJP NA NA +C10605 Maculosin C14H16N2O3 260.1161 NA KEGG NA NA +8140 synthetic peptide YPEL 260.1205 MH2+ Inhouse_peptide NA peptide +MJ017570 Psicose; ?-D-Pyranose-form, 1,2:4,5-Di-O-isopropylidene C12H20O6 260.125988 NA MeJP NA NA +MJ017571 Riburonic acid; ?-D-Furanose-form, Me glycoside, 2,3-O-isopropylidene, isopropyl ester C12H20O6 260.125988 NA MeJP NA NA +7826 ACE inhibitor EI 260.126 antithrombotic Inhouse_peptide NA peptide +7827 ACE inhibitor IE 260.126 antithrombotic Inhouse_peptide NA peptide +7888 antioxidative peptide EL 260.126 antibacterial Inhouse_peptide NA peptide +CJneg0474 4-methyl-2-oxovaleric acid (ketoleucine) [(2M-H)]- C12H19O6 260.126525 C18rt(min)=5.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0474 4-methyl-2-oxovaleric acid (ketoleucine) [(2M-H)]- C12H19O6 260.126525 C18rt(min)=5.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ017572 Diaveridine C13H16N4O2 260.127325 NA MeJP NA NA +C14501 N,N'-Diphenyl-p-phenylenediamine C18H16N2 260.1313 NA KEGG NA NA +MJ017573 3,3'-Methylenebisindole; N-Me C18H16N2 260.131348 NA MeJP NA NA +MJ017574 Streptindole; Deacetoxy C18H16N2 260.131348 NA MeJP NA NA +MJ017575 5-Ethyl-2-methyl-11H-pyrido[3,4-a]carbazolium(1+) C18H17N2(+) 260.131348 NA MeJP NA NA +MJ017576 Ellipticine; N2-Me C18H17N2(+) 260.131348 NA MeJP NA NA +C11113 Methaphenilene C15H20N2S 260.1347 NA KEGG NA NA +MJ017577 Methaphenilene C15H20N2S 260.134719 NA MeJP NA NA +CJpos0654 2-methoxy-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]acetamide (and isomers) [(M+H)+(HCOOH)]+ C11H21N2O5 260.136675 C18rt(min)=1.05 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0655 (gamma)glu-leu(ile) [(M+H)]+ C11H21N2O5 260.136675 C18rt(min)=5.25 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0654 2-methoxy-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]acetamide (and isomers) [(M+H)+(HCOOH)]+ C11H21N2O5 260.136675 C18rt(min)=1.05 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0655 (gamma)glu-leu(ile) [(M+H)]+ C11H21N2O5 260.136675 C18rt(min)=5.25 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +7698 ACE inhibitor from wakame NK 260.1369 antioxidative Inhouse_peptide NA peptide +PJ000112 LE C11H20N2O5 260.1372 NA PeJP NA NA +HMDB11170 L-gamma-glutamyl-L-isoleucine C11H20N2O5 260.137207 NA HMDB2010 NA NA +HMDB11171 L-gamma-glutamyl-L-leucine C11H20N2O5 260.137207 NA HMDB2010 NA NA +MJ017578 Fusarinine C11H20N2O5 260.137221 NA MeJP NA NA +MJ017579 N-(2-Carboxypropyl)glutamine; L-L-form, 1-Et ester C11H20N2O5 260.137221 NA MeJP NA NA +MJ017580 N-?-Glutamylisoleucine; L-L-form C11H20N2O5 260.137221 NA MeJP NA NA +MJ017581 N-?-Glutamylleucine; L-L-form C11H20N2O5 260.137221 NA MeJP NA NA +CJneg0475 (gamma)glu-leu(ile) [(M-H)]- C11H19N2O5 260.137725 C18rt(min)=5.25 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0475 (gamma)glu-leu(ile) [(M-H)]- C11H19N2O5 260.137725 C18rt(min)=5.25 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +C09695 Lacinilene C 7-methyl ether C16H20O3 260.1412 NA KEGG NA NA +C17744 1-(4-Hydroxyphenyl)-1-decene-3,5-dione C16H20O3 260.1412 NA KEGG NA NA +C18135 Dihydroshikonofuran C16H20O3 260.1412 NA KEGG NA NA +MJ017582 1-(3,4-Dihydroxyphenyl)-1,3-decadien-5-one C16H20O3 260.141244 NA MeJP NA NA +MJ017583 1-(6-Hydroxy-2-methyl-2H-1-benzopyran-2-yl)-4-methyl-2-pentanone C16H20O3 260.141244 NA MeJP NA NA +MJ017584 1-Hydroxy-1,3,5,8,10-bisabolapentaen-15-oic acid, Me ether C16H20O3 260.141244 NA MeJP NA NA +MJ017585 2-Heptyl-5-hydroxy-4H-1-benzopyran-4-one C16H20O3 260.141244 NA MeJP NA NA +MJ017586 2-Hydroxy-1,4,6-eudesmatriene-3,8-dione; Me ether C16H20O3 260.141244 NA MeJP NA NA +MJ017587 2-Hydroxy-12,6-furano-9-guaien-8-one; Me ether C16H20O3 260.141244 NA MeJP NA NA +MJ017588 2-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, Me ether C16H20O3 260.141244 NA MeJP NA NA +MJ017589 2-Oxo-1(10),3,11(13)-guaiatrien-12-oic acid; 5?-form, Me ester C16H20O3 260.141244 NA MeJP NA NA +MJ017590 3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-O-(3-Methyl-2-butenyl), 1-Ac C16H20O3 260.141244 NA MeJP NA NA +MJ017591 3-Hydroxy-1,4(15),11(13)-eudesmatrien-12-oic acid, 3-Ketone, Me ester C16H20O3 260.141244 NA MeJP NA NA +MJ017592 4,6-Tetradecadiene-8,10-diyne-1,12-diol, 1-Ac C16H20O3 260.141244 NA MeJP NA NA +MJ017593 5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acid, Me ester C16H20O3 260.141244 NA MeJP NA NA +MJ017594 6,11-Epoxy-4(15),5,10-pinguisatrien-12-oic acid; Me ester C16H20O3 260.141244 NA MeJP NA NA +MJ017595 6,12-Tetradecadiene-8,10-diyne-1,3-diol, 1-Ac C16H20O3 260.141244 NA MeJP NA NA +MJ017596 6,12-Tetradecadiene-8,10-diyne-1,3-diol, 3-Ac C16H20O3 260.141244 NA MeJP NA NA +MJ017597 8,12-Epoxy-1(10),4,7,11-germacratetraen-15-oic acid, Me ester C16H20O3 260.141244 NA MeJP NA NA +MJ017598 8,12-Epoxy-3-hydroxy-1,7,10(14),11-germacratetraen-6-one, Me ether C16H20O3 260.141244 NA MeJP NA NA +MJ017599 8-Hydroxy-1,4,7(11)-guaiatrien-12,8-olide, Me ether C16H20O3 260.141244 NA MeJP NA NA +MJ017600 9-Oxo-1,3,5,7-bisabolatetraen-15-oic acid, Me ester C16H20O3 260.141244 NA MeJP NA NA +MJ017601 Alliodorol, Aldehyde C16H20O3 260.141244 NA MeJP NA NA +MJ017602 Allioquinol C C16H20O3 260.141244 NA MeJP NA NA +MJ017603 Cacalol; 13-Hydroxy, 9-Me ether C16H20O3 260.141244 NA MeJP NA NA +MJ017604 Citreobenzofuran A C16H20O3 260.141244 NA MeJP NA NA +MJ017605 Citreobenzofuran B; 13-Me ether C16H20O3 260.141244 NA MeJP NA NA +MJ017606 Dihydroshikonofuran C16H20O3 260.141244 NA MeJP NA NA +MJ017607 Heterogorgiolide C16H20O3 260.141244 NA MeJP NA NA +MJ017608 Hexacyprone C16H20O3 260.141244 NA MeJP NA NA +MJ017609 Isofischeric acid; Me ester C16H20O3 260.141244 NA MeJP NA NA +MJ017610 Lacinilene C; Me ether C16H20O3 260.141244 NA MeJP NA NA +MJ017611 Liguhodgsonal, 15-Carboxylic acid, Et ester C16H20O3 260.141244 NA MeJP NA NA +3360 NA VKAGF 260.144 MH2+ Inhouse_peptide NA peptide +8131 peptide derived from dried bonito FVAGK 260.144 MH2+ Inhouse_peptide NA peptide +PJ000113 NK C10H20N4O4 260.1485 NA PeJP NA NA +MJ017612 6-Hydroxy-2'-(2-methylpropyl)spiro[3H-indole-3,3'-pyrrolidin]-2(1H)-one C15H20N2O2 260.152477 NA MeJP NA NA +MJ017613 Albineyl C15H20N2O2 260.152477 NA MeJP NA NA +MJ017614 Anagyrine; Hydroxy C15H20N2O2 260.152477 NA MeJP NA NA +MJ017615 Aphyllidine, 17-Oxo C15H20N2O2 260.152477 NA MeJP NA NA +MJ017616 Argentinamine C15H20N2O2 260.152477 NA MeJP NA NA +MJ017617 Baptifoline C15H20N2O2 260.152477 NA MeJP NA NA +MJ017618 Cyclo(leucylphenylalanyl) C15H20N2O2 260.152477 NA MeJP NA NA +MJ017619 Cytisine, N-(3-Oxobutyl) C15H20N2O2 260.152477 NA MeJP NA NA +MJ017620 Fenspiride C15H20N2O2 260.152477 NA MeJP NA NA +MJ017621 Multiflorine; 13?-Hydroxy, 5,6-didehydro C15H20N2O2 260.152477 NA MeJP NA NA +MJ017622 Oxamisole C15H20N2O2 260.152477 NA MeJP NA NA +MJ017623 Phyllanthimide C15H20N2O2 260.152477 NA MeJP NA NA +MJ017624 Sophoramine; 7?-Hydroxy C15H20N2O2 260.152477 NA MeJP NA NA +MJ017625 Sophoramine; 9?-Hydroxy C15H20N2O2 260.152477 NA MeJP NA NA +MJ017626 Tryptophan, Na,Na,Na-Tri-Me, Me ester C15H21N2O2(+) 260.152477 NA MeJP NA NA +C10755 Baptifoline C15H20N2O2 260.1525 NA KEGG NA NA +7561 ACE inhibitor from soy hydrolysate IYLL 260.1575 MH2+ Inhouse_peptide NA peptide +MJ017627 Narbosine A; 1-Me glycoside C13H24O5 260.162373 NA MeJP NA NA +MJ017628 Valdice C13H24O5 260.162373 NA MeJP NA NA +MJ017629 Imolamine C14H20N4O 260.163711 NA MeJP NA NA +C07927 Carisoprodol C12H24N2O4 260.1736 NA KEGG NA NA +MJ017630 Carisoprodol C12H24N2O4 260.173607 NA MeJP NA NA +C08449 Falcarindiol C17H24O2 260.1776 NA KEGG NA NA +MJ017631 1,8-Heptadecadiene-4,6-diyne-3,10-diol C17H24O2 260.17763 NA MeJP NA NA +MJ017632 1,9,16-Heptadecatriene-4,6-diyne-3,8-diol, 1,2-Dihydro (3S,8S-) C17H24O2 260.17763 NA MeJP NA NA +MJ017633 1,9-Heptadecadiene-4,6-diyne-3,8-diol C17H24O2 260.17763 NA MeJP NA NA +MJ017634 1-Hydroxy-8-heptadecene-4,6-diyn-3-one C17H24O2 260.17763 NA MeJP NA NA +MJ017635 1-Hydroxy-9-heptadecene-4,6-diyn-3-one C17H24O2 260.17763 NA MeJP NA NA +MJ017636 17-Hydroxy-9-heptadecene-11,13-diyn-4-one C17H24O2 260.17763 NA MeJP NA NA +MJ017637 2,8-Heptadecadiene-4,6-diyne-1,10-diol C17H24O2 260.17763 NA MeJP NA NA +MJ017638 2,9-Heptadecadiene-4,6-diyne-1,8-diol C17H24O2 260.17763 NA MeJP NA NA +MJ017639 4,7,11-Muurolatrien-3-ol, Ac C17H24O2 260.17763 NA MeJP NA NA +MJ017640 4-(3,7-Dimethyl-2,6-octadienyl)-3-hydroxybenzoic acid; 1'-Alcohol C17H24O2 260.17763 NA MeJP NA NA +MJ017641 5-(3-Decenyl)-1,3-benzodioxole C17H24O2 260.17763 NA MeJP NA NA +MJ017642 6,8,12-Hexadecatrien-10-ynoic acid, Me ester C17H24O2 260.17763 NA MeJP NA NA +MJ017643 8,10-Heptadecadiene-4,6-diyne-1,12-diol C17H24O2 260.17763 NA MeJP NA NA +MJ017644 9,10-Epoxy-16-heptadecene-4,6-diyn-8-ol C17H24O2 260.17763 NA MeJP NA NA +MJ017645 Amphilectolide C17H24O2 260.17763 NA MeJP NA NA +MJ017646 Hamabiwalactone A C17H24O2 260.17763 NA MeJP NA NA +MJ017647 Laurene; 15-Acetoxy, 8,11-dihydro C17H24O2 260.17763 NA MeJP NA NA +MJ017648 Norasperenal A C17H24O2 260.17763 NA MeJP NA NA +MJ017649 Norasperenal B C17H24O2 260.17763 NA MeJP NA NA +MJ017650 Panaxydol C17H24O2 260.17763 NA MeJP NA NA +MJ017651 Tochuinol; Ac C17H24O2 260.17763 NA MeJP NA NA +CJpos0656 Hexanoylcarnitine [(M+H)]+ (13C) C1213CH26NO4 260.181175 C18rt(min)=6.65 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0657 Hexanoylcarnitine isomer [(M+H)]+ (13C) C1213CH26NO4 260.181175 C18rt(min)=6.23 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0658 Hexanoylcarnitine isomer [(M+H)]+ (13C) C1213CH26NO4 260.181175 C18rt(min)=6.35 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0656 Hexanoylcarnitine [(M+H)]+ (13C) C1213CH26NO4 260.181175 C18rt(min)=6.65 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0657 Hexanoylcarnitine isomer [(M+H)]+ (13C) C1213CH26NO4 260.181175 C18rt(min)=6.23 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0658 Hexanoylcarnitine isomer [(M+H)]+ (13C) C1213CH26NO4 260.181175 C18rt(min)=6.35 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ017652 ?-Obscurine; Natural-form, 2,3-Dihydro, N-de-Me C16H24N2O 260.188863 NA MeJP NA NA +MJ017653 Lycocernuine; Deoxy, 12,13-didehydro C16H24N2O 260.188863 NA MeJP NA NA +MJ017654 Oxymetazoline C16H24N2O 260.188863 NA MeJP NA NA +MJ017655 Pincainide C16H24N2O 260.188863 NA MeJP NA NA +MJ017656 Ropinirole C16H24N2O 260.188863 NA MeJP NA NA +C07363 Oxymetazoline C16H24N2O 260.1889 NA KEGG NA NA +C07365 Transferred to D00469 C16H24N2O 260.1889 NA KEGG NA NA +C07564 Ropinirole C16H24N2O 260.1889 NA KEGG NA NA +MJ017657 3,11-Dihydroxytetradecanoic acid C14H28O4 260.198759 NA MeJP NA NA +MJ017658 9,10-Dihydroxytetradecanoic acid C14H28O4 260.198759 NA MeJP NA NA +MJ017659 4-Aminopyrrolo[2,3-d]pyrimidine; 4-N-Nonyl C15H24N4 260.200096 NA MeJP NA NA +EUR507 Acide Arachidonique F2 F2 260.205425 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR507 Acide Arachidonique F2 NA 260.205425 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR507 Acide Arachidonique F2 F2 260.205425 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR507 Acide Arachidonique F2 NA 260.205425 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR507 Acide Arachidonique F2 F2 260.205425 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR507 Acide Arachidonique F2 NA 260.205425 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR507 Acide Arachidonique F2 F2 260.205425 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR507 Acide Arachidonique F2 F2 260.205425 standards wishlist analysés sur QTOF HMDB NA NA +EUR507 Acide Arachidonique F2 F2 260.205425 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR507 Acide Arachidonique F2 NA 260.205425 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR507 Acide Arachidonique F2 F2 260.205425 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR507 Acide Arachidonique F2 F2 260.205425 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ017660 14,15-Dinor-2,4(18)-clerodadien-13-one; ent-form C18H28O 260.214015 NA MeJP NA NA +MJ017661 14,15-Dinor-3,11-clerodadien-13-one; ent-form C18H28O 260.214015 NA MeJP NA NA +MJ017662 15,16-Dinor-8(17),11-labdadien-13-one C18H28O 260.214015 NA MeJP NA NA +MJ017663 15,16-Dinor-8(17),12-labdadien-14-al C18H28O 260.214015 NA MeJP NA NA +MJ017664 Dinortrixagone C18H28O 260.214015 NA MeJP NA NA +C01554 Androstane C19H32 260.2504 NA KEGG NA NA +MJ017665 Gibberellin 19 C19H32 260.250401 NA MeJP NA NA +MJ017666 1,10,13,16-Nonadecatetraene C19H32 260.250401 NA MeJP NA NA +MJ017667 1,3,6,9-Nonadecatetraene C19H32 260.250401 NA MeJP NA NA +MJ017668 15-Nor-3,13-clerodadiene; ent-form C19H32 260.250401 NA MeJP NA NA +MJ017669 3,6,9,11-Nonadecatetraene C19H32 260.250401 NA MeJP NA NA +MJ017670 Tridecylbenzene C19H32 260.250401 NA MeJP NA NA +2812 PEP inhibitor LPPPV 260.654 MH2+ Inhouse_peptide NA peptide +MJ017671 7-Bromocavernicolenone C8H8BrNO4 260.96367 NA MeJP NA NA +MJ017672 ?-Amino-3,4-dichloro-?-oxobenzenebutanoic acid C10H9Cl2NO3 260.995948 NA MeJP NA NA +MJ017673 Aulosirazole C12H7NO4S 261.009578 NA MeJP NA NA +PARAC019 Phosphotyrosine C9H12NO6P 261.0358 RT2.6 PFEM_hmdb_metabocards_urine NA urine +PARAC020 Phosphotyrosine C9H12NO6P 261.0358 RT7.4 PFEM_hmdb_metabocards_urine NA urine +PARAC019 Phosphotyrosine C9H12NO6P 261.0358 RT2.6 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC020 Phosphotyrosine C9H12NO6P 261.0358 RT7.4 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC019 Phosphotyrosine C9H12NO6P 261.0358 RT2.6 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC020 Phosphotyrosine C9H12NO6P 261.0358 RT7.4 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC019 Phosphotyrosine C9H12NO6P 261.0358 RT2.6 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC020 Phosphotyrosine C9H12NO6P 261.0358 RT7.4 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC019 Phosphotyrosine C9H12NO6P 261.0358 RT2.6 HMDB NA NA +PARAC020 Phosphotyrosine C9H12NO6P 261.0358 RT7.4 HMDB NA NA +PARAC019 Phosphotyrosine C9H12NO6P 261.0358 RT2.6 Inhouse_PFEM NA NA +PARAC020 Phosphotyrosine C9H12NO6P 261.0358 RT7.4 Inhouse_PFEM NA NA +PARAC019 Phosphotyrosine C9H12NO6P 261.0358 RT2.6 PFEM_hmdb_metabocards_blood NA blood +PARAC020 Phosphotyrosine C9H12NO6P 261.0358 RT7.4 PFEM_hmdb_metabocards_blood NA blood +PARAC019 Phosphotyrosine C9H12NO6P 261.0358 RT2.6 PFEM_hmdb_metabocards_official NA NA +PARAC020 Phosphotyrosine C9H12NO6P 261.0358 RT7.4 PFEM_hmdb_metabocards_official NA NA +C06501 Phosphotyrosine C9H12NO6P 261.0402 NA KEGG NA NA +C06502 4,6-Diamino-5-formamidopyrimidine C9H12NO6P 261.0402 NA KEGG NA NA +HMDB06049 O-Phosphotyrosine C9H12NO6P 261.040222 NA HMDB2010 NA NA +MJ017674 O-Phosphotyrosine C9H12NO6P 261.040223 NA MeJP NA NA +MetaCyc02362 O-phospho-L-tyrosine [Phosphotyrosine;L-Tyrosine, dihydrogen phosphate (ester);] C9H12N1O6P1 261.040224 NA metacyc NA NA +MJ017675 4-Aminophenol; N-Ac, 2-thiophenecarbonyl ester C13H11NO3S 261.045963 NA MeJP NA NA +C13112 Ancitabin hydrochloride C9H11N3O4 261.0516 NA KEGG NA NA +C13113 Transferred to D01652 C9H11N3O4 261.0516 NA KEGG NA NA +C13114 Transferred to D01653 C9H11N3O4 261.0516 NA KEGG NA NA +C13115 Transferred to D01654 C9H11N3O4 261.0516 NA KEGG NA NA +C13116 Transferred to D01655 C9H11N3O4 261.0516 NA KEGG NA NA +C13117 Transferred to D01656 C9H11N3O4 261.0516 NA KEGG NA NA +C13118 Transferred to D01657 C9H11N3O4 261.0516 NA KEGG NA NA +C13119 Transferred to D01658 C9H11N3O4 261.0516 NA KEGG NA NA +C13120 Transferred to D01659 C9H11N3O4 261.0516 NA KEGG NA NA +C13121 Transferred to D01660 C9H11N3O4 261.0516 NA KEGG NA NA +C13122 Transferred to D01661 C9H11N3O4 261.0516 NA KEGG NA NA +C13123 Transferred to D01662 C9H11N3O4 261.0516 NA KEGG NA NA +C13124 Transferred to D01663 C9H11N3O4 261.0516 NA KEGG NA NA +C13125 Transferred to D01664 C9H11N3O4 261.0516 NA KEGG NA NA +C13126 Transferred to D01665 C9H11N3O4 261.0516 NA KEGG NA NA +MJ017676 5'-Chloro-5'-deoxyarabinosylcytosine C9H12ClN3O4 261.051633 NA MeJP NA NA +MJ017677 Cicletanine C14H12ClNO2 261.055656 NA MeJP NA NA +MJ017678 Tolfenamic acid C14H12ClNO2 261.055656 NA MeJP NA NA +MJ017679 Zyzzin; 3,4-Dihydro, 4-methoxy C12H11N3O2S 261.057197 NA MeJP NA NA +HMDB01504 Aminoparathion C10H16NO3PS 261.058838 NA HMDB2010 NA NA +HMDB01504 Aminoparathion C10H16NO3PS 261.05884 http://www.hmdb.ca/metabolites/HMDB01504 HMDB NA NA +HMDB01504 Aminoparathion C10H16NO3PS 261.05884 HMDB01504 PFEM_hmdb_metabocards_official NA NA +MJ017680 Aminoparathion C10H16NO3PS 261.05885 NA MeJP NA NA +MetaCyc02363 amino-parathion [] C10H16N1O3P1S1 261.058851 NA metacyc NA NA +C06605 Aminoparathion C10H16NO3PS 261.0589 NA KEGG NA NA +C11342 Oxolinic acid C13H11NO5 261.0637 NA KEGG NA NA +MJ017681 Oxolinic acid C13H11NO5 261.063722 NA MeJP NA NA +MJ017682 Renierol; O7-De-Me, O1'-Ac C13H11NO5 261.063722 NA MeJP NA NA +MJ017683 Cericlamine C12H17Cl2NO 261.068719 NA MeJP NA NA +MJ017684 6,7,8,9-Tetrahydro-5-nitro-1H-benz[g]indole-2,3-dione; 3-Oxime C12H11N3O4 261.074955 NA MeJP NA NA +C13731 NS-102 C12H11N3O4 261.075 NA KEGG NA NA +MJ017685 Flumequine C14H12FNO3 261.080121 NA MeJP NA NA +8114 peptide derived from sardinelle by-products proteins (Sardinella aurita) GGE 261.084 anticancer Inhouse_peptide NA peptide +MJ017686 1,3-Dihydro-3-hydroxy-2H-pyrrol-2-one; O-?-D-Glucopyranoside C10H15NO7 261.084851 NA MeJP NA NA +MJ017687 1,5-Dihydro-5-hydroxy-2H-pyrrol-2-one, O-?-D-Glucopyranoside C10H15NO7 261.084851 NA MeJP NA NA +C11102 Hymexazol O-glucoside C10H15NO7 261.0849 NA KEGG NA NA +C11104 Hymexazol N-glucoside C10H15NO7 261.0849 NA KEGG NA NA +MJ017688 2,5-Dihydro-2-phenyl-3H-pyrazolo[4,3-c]quinolin-3-one C16H11N3O 261.090211 NA MeJP NA NA +MJ017689 Setazindol C15H16ClNO 261.092041 NA MeJP NA NA +MJ017690 ?-Glutamylasparagine; L-L-form C9H15N3O6 261.096085 NA MeJP NA NA +MJ017691 Alahopcin C9H15N3O6 261.096085 NA MeJP NA NA +PJ000114 NE C9H15N3O6 261.0961 NA PeJP NA NA +7579 ACE inhibitor GW 261.1 antioxidative Inhouse_peptide NA peptide +7613 ACE inhibitor WG 261.1 antioxidative Inhouse_peptide NA peptide +MJ017692 3',4'-Dihydroxy-3',4'-dihydroflindersine C14H15NO4 261.100107 NA MeJP NA NA +MJ017693 Oxazorone C14H15NO4 261.100107 NA MeJP NA NA +MJ017694 Annomontine C15H11N5 261.101445 NA MeJP NA NA +PJ000115 GW C13H15N3O3 261.1114 NA PeJP NA NA +MJ017695 2-Decene-4,6,8-triynoic acid, 2-Phenylethylamide C18H15NO 261.115364 NA MeJP NA NA +2868 opioid peptide YPFP 261.1175 MH2+ Inhouse_peptide NA peptide +8134 peptide derived from dried bonito KD 261.1209 stimulating Inhouse_peptide NA peptide +C08332 Heterodendrin C11H19NO6 261.1212 NA KEGG NA NA +C08334 Lotaustralin C11H19NO6 261.1212 NA KEGG NA NA +C10607 Mycosporine C11H19NO6 261.1212 NA KEGG NA NA +MJ017696 2-Hydroxy-2-methylbutanoic acid, Nitrile, O-?-D-glucopyranoside C11H19NO6 261.121237 NA MeJP NA NA +MJ017697 2-Hydroxy-3-methylbutanoic acid, Nitrile, O-?-D-glucopyranoside C11H19NO6 261.121237 NA MeJP NA NA +MJ017698 3-Hydroxy-3-methylbutanoic acid; Nitrile, O-?-D-glucopyranoside C11H19NO6 261.121237 NA MeJP NA NA +MJ017699 4-Hydroxy-3-methylbutanoic acid, Nitrile, O-?-D-glucopyranoside C11H19NO6 261.121237 NA MeJP NA NA +MJ017700 Mycosporin 1 C11H19NO6 261.121237 NA MeJP NA NA +HMDB13133 Methylglutarylcarnitine C11H19NO6 261.121246 NA HMDB2010 NA NA +MJ017701 1-Isothiocyanato-10-(methylthio)decane; S-Oxide C12H23NOS2 261.122105 NA MeJP NA NA +MJ017702 Methapyrilene C14H19N3S 261.129968 NA MeJP NA NA +MJ017703 Thenyldiamine C14H19N3S 261.129968 NA MeJP NA NA +C11114 Methapyrilene C14H19N3S 261.13 NA KEGG NA NA +MJ017704 N2-?-Glutamylornithine C10H19N3O5 261.13247 NA MeJP NA NA +HMDB02248 Gamma glutamyl ornithine C10H19N3O5 261.132477 NA HMDB2010 NA NA +HMDB04985 Aspartylysine C10H19N3O5 261.132477 NA HMDB2010 NA NA +HMDB04987 Alpha-Aspartyl-lysine C10H19N3O5 261.132477 NA HMDB2010 NA NA +HMDB02248 gamma glutamyl ornithine C10H19N3O5 261.13248 http://www.hmdb.ca/metabolites/HMDB02248 HMDB NA NA +HMDB04985 Aspartylysine C10H19N3O5 261.13248 http://www.hmdb.ca/metabolites/HMDB04985 HMDB NA NA +HMDB04987 alpha-Aspartyl-lysine C10H19N3O5 261.13248 http://www.hmdb.ca/metabolites/HMDB04987 HMDB NA NA +HMDB02248 gamma glutamyl ornithine C10H19N3O5 261.13248 HMDB02248 PFEM_hmdb_metabocards_official NA NA +HMDB04985 Aspartylysine C10H19N3O5 261.13248 HMDB04985 PFEM_hmdb_metabocards_official NA NA +HMDB04987 alpha-Aspartyl-lysine C10H19N3O5 261.13248 HMDB04987 PFEM_hmdb_metabocards_official NA NA +PJ000116 DK C10H19N3O5 261.1325 NA PeJP NA NA +MJ017705 3-(3,4-Methylenedioxyphenyl)propenoic acid, 3-Methylbutylamide C15H19NO3 261.136493 NA MeJP NA NA +MJ017706 3-(3,4-Methylenedioxyphenyl)propenoic acid, Pentylamide C15H19NO3 261.136493 NA MeJP NA NA +MJ017707 3-(3,5-Dihydroxyphenyl)-2-propenoic acid; Di-Me ether, pyrrolidide C15H19NO3 261.136493 NA MeJP NA NA +MJ017708 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(3-Hydroxybenzoyl) C15H19NO3 261.136493 NA MeJP NA NA +MJ017709 8-Methyl-8-azabicyclo[3.2.1]octane-1,3-diol, 3-O-Benzoyl C15H19NO3 261.136493 NA MeJP NA NA +MJ017710 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Benzoyl C15H19NO3 261.136493 NA MeJP NA NA +MJ017711 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 6-O-Benzoyl C15H19NO3 261.136493 NA MeJP NA NA +MJ017712 Ampullicin; 5,6-Dihydro C15H19NO3 261.136493 NA MeJP NA NA +MJ017713 Cichorine; O-(3-Methyl-2-butenyl) C15H19NO3 261.136493 NA MeJP NA NA +MJ017714 Cocculolidine C15H19NO3 261.136493 NA MeJP NA NA +MJ017715 Nuphacristine C15H19NO3 261.136493 NA MeJP NA NA +MJ017716 Pinolinone C15H19NO3 261.136493 NA MeJP NA NA +MJ017717 Ravenoline, 2',3'-Dihydro, 2'-hydroxy C15H19NO3 261.136493 NA MeJP NA NA +MJ017718 Ximoprofen C15H19NO3 261.136493 NA MeJP NA NA +C10626 Zinnimidine C15H19NO3 261.1365 NA KEGG NA NA +C10853 Cochlearine C15H19NO3 261.1365 NA KEGG NA NA +C15462 cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3- C15H19NO3 261.1365 NA KEGG NA NA +3039 inhibitor og fibrinogen and thrombin coagulation GPRPP 261.139 MH2+ Inhouse_peptide NA peptide +CJpos0659 (gamma)glu-leu(ile) [(M+H)]+ (13C) C1013CH21N2O5 261.140075 C18rt(min)=5.25 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0659 (gamma)glu-leu(ile) [(M+H)]+ (13C) C1013CH21N2O5 261.140075 C18rt(min)=5.25 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJneg0476 (gamma)glu-leu(ile) [(M-H)]- (13C) C1013CH19N2O5 261.141125 C18rt(min)=5.25 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0476 (gamma)glu-leu(ile) [(M-H)]- (13C) C1013CH19N2O5 261.141125 C18rt(min)=5.25 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +PJ000117 SR C9H19N5O4 261.1437 NA PeJP NA NA +MJ017719 Cytisine, N-Acetamidomethyl C14H19N3O2 261.147726 NA MeJP NA NA +MJ017720 Eserine; 8-N-De-Me C14H19N3O2 261.147726 NA MeJP NA NA +MJ017721 Zilpaterol C14H19N3O2 261.147726 NA MeJP NA NA +MJ017722 Phenindamine C19H19N 261.151749 NA MeJP NA NA +MJ017723 Setiptiline C19H19N 261.151749 NA MeJP NA NA +C07790 Phenindamine C19H19N 261.1518 NA KEGG NA NA +C07791 Transferred to D00673 C19H19N 261.1518 NA KEGG NA NA +MJ017724 10-Isothiocyanato-4,6-amorphadiene C16H23NS 261.15512 NA MeJP NA NA +MJ017725 Axamide 1; 7,11-Didehydro, isothiocyanate C16H23NS 261.15512 NA MeJP NA NA +MJ017726 1-Amino-2-propanol, N-Cyclohexyl, O-benzoyl C16H23NO2 261.172878 NA MeJP NA NA +MJ017727 Anhydrolycodoline; Natural-form, 10?-Hydroxy C16H23NO2 261.172878 NA MeJP NA NA +MJ017728 Anhydrolycodoline; Natural-form, 7-Hydroxy C16H23NO2 261.172878 NA MeJP NA NA +MJ017729 Bufuralol C16H23NO2 261.172878 NA MeJP NA NA +MJ017730 Ethoheptazine C16H23NO2 261.172878 NA MeJP NA NA +MJ017731 Etoxadrol C16H23NO2 261.172878 NA MeJP NA NA +MJ017732 Fawcettidine; 8S-Hydroxy C16H23NO2 261.172878 NA MeJP NA NA +MJ017733 Fawcettimine; Natural-form, 9,10-Didehydro C16H23NO2 261.172878 NA MeJP NA NA +MJ017734 Hexahydro-2-methyl-4-phenyl-4-azepinecarboxylic acid; N-Me, Me ester C16H23NO2 261.172878 NA MeJP NA NA +MJ017735 Idropranolol C16H23NO2 261.172878 NA MeJP NA NA +MJ017736 Joubertiamine, 2,3-Dihydro C16H23NO2 261.172878 NA MeJP NA NA +MJ017737 Lycofoline; 5-Ketone C16H23NO2 261.172878 NA MeJP NA NA +MJ017738 Lycofoline; 8-Ketone C16H23NO2 261.172878 NA MeJP NA NA +MJ017739 Lycopecurine; 2-Oxo C16H23NO2 261.172878 NA MeJP NA NA +MJ017740 Lycopecurine; 2?-Hydroxy, 5-ketone C16H23NO2 261.172878 NA MeJP NA NA +MJ017741 Lycopodium Base VI C16H23NO2 261.172878 NA MeJP NA NA +MJ017742 Piperocaine C16H23NO2 261.172878 NA MeJP NA NA +MJ017743 Prodine C16H23NO2 261.172878 NA MeJP NA NA +MJ017744 Properidine C16H23NO2 261.172878 NA MeJP NA NA +MJ017745 Serratinine, 8-Deoxy, 13-ketone C16H23NO2 261.172878 NA MeJP NA NA +C09850 Acrifoline C16H23NO2 261.1729 NA KEGG NA NA +C09867 Inundatine C16H23NO2 261.1729 NA KEGG NA NA +C13769 Bufuralol C16H23NO2 261.1729 NA KEGG NA NA +C13770 Transferred to D02140 C16H23NO2 261.1729 NA KEGG NA NA +C14172 Hexylcaine C16H23NO2 261.1729 NA KEGG NA NA +C14173 Piperocaine C16H23NO2 261.1729 NA KEGG NA NA +MJ017746 1,3a-Didehydro-8-hydroxyptilocaulin C15H23N3O 261.184112 NA MeJP NA NA +MJ017747 Glochidicine C15H23N3O 261.184112 NA MeJP NA NA +MJ017748 Glochidine C15H23N3O 261.184112 NA MeJP NA NA +MJ017749 N-[2-(1H-Imidazol-4-yl)ethyl]-2,4-decadienamide C15H23N3O 261.184112 NA MeJP NA NA +MJ017750 Amixetrine C17H27NO 261.209264 NA MeJP NA NA +MJ017751 Cryptophorine C17H27NO 261.209264 NA MeJP NA NA +MJ017752 Darlingianine, Tetrahydro C17H27NO 261.209264 NA MeJP NA NA +C10139 Cryptophorine C17H27NO 261.2093 NA KEGG NA NA +EUR463 Dehydrotestosterone glucuronide F8 F8 261.234775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR463 Dehydrotestosterone glucuronide F8 NA 261.234775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR463 Dehydrotestosterone glucuronide F8 F8 261.234775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR463 Dehydrotestosterone glucuronide F8 NA 261.234775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR463 Dehydrotestosterone glucuronide F8 F8 261.234775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR463 Dehydrotestosterone glucuronide F8 NA 261.234775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR463 Dehydrotestosterone glucuronide F8 F8 261.234775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR463 Déhydrotestosterone glucuronide F8 F8 261.234775 standards wishlist analysés sur QTOF HMDB NA NA +EUR463 Dehydrotestosterone glucuronide F8 F8 261.234775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR463 Dehydrotestosterone glucuronide F8 NA 261.234775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR463 Dehydrotestosterone glucuronide F8 F8 261.234775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR463 Dehydrotestosterone glucuronide F8 F8 261.234775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ017753 5-(1,3-Decadienyl)indolizidine C18H31N 261.245649 NA MeJP NA NA +8082 synthetic peptide RWY 261.6215 MH2+ Inhouse_peptide NA peptide +MJ017754 1,1,1,3,3,3-Hexachloro-2-propanone C3Cl6O 261.80803 NA MeJP NA NA +MJ017755 Sodium dichromate(VI) (Na2Cr2O7) Cr2Na2O7 261.824965 NA MeJP NA NA +MJ017756 1-Bromo-3-iodo-2-propanone C3H4BrIO 261.84902 NA MeJP NA NA +MJ017757 Almasilate Al2MgO8Si2 261.861288 NA MeJP NA NA +MJ017758 Magnesium phosphate (Mg3(PO4)2) Mg3O8P2 261.861965 NA MeJP NA NA +MJ017759 (2-Methylpropyl)hexathiepane C5H10S6 261.910674 NA MeJP NA NA +MJ017760 Pentakis(cyano-C)nitrosylferrate(2-); Di-Na salt C5FeN6Na2O 261.92784 NA MeJP NA NA +MJ017761 Eudistomin D C11H7BrN2O 261.974175 NA MeJP NA NA +MJ017762 Eudistomin J C11H7BrN2O 261.974175 NA MeJP NA NA +MJ017763 2,2'-[1-(Methylthio)-1-buten-3-yne-1,4-diyl]bisthiophene C13H10S3 261.994462 NA MeJP NA NA +MJ017764 5-Methyl-2,2':5',2''-terthiophene C13H10S3 261.994462 NA MeJP NA NA +C11811 1-Hydroxy-2-methyl-2-butenyl 4-diphosphate C5H12O8P2 262.0007 NA KEGG NA NA +MetaCyc02364 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate [HMBDP;(E)-4-hydroxy-3-methylbut-2-en-1-yl diphosphate;] C5H12O8P2 262.00074 NA metacyc NA NA +MetaCyc02365 (E)-4-hydroxy-3-methylbut 2-en-1-yl diphosphate [] C5H12O8P2 262.00074 NA metacyc NA NA +MJ017765 3,7,8-Trihydroxy-2H,5H-pyrano[3,2-c][1]benzopyran-2,5-dione C12H6O7 262.011352 NA MeJP NA NA +MJ017766 2-[3-[(3-Hydroxy-1-propyl)-2-thienyl]-2-propynylidene]-3-thietanol C13H10O2S2 262.01222 NA MeJP NA NA +MJ017767 5-(2-Thienylethynyl)-2-thiophenemethanol; Ac C13H10O2S2 262.01222 NA MeJP NA NA +MJ017768 5-Acetyl-5'-(1-propynyl)-2,2'-bithiophene; 2''-Hydroxy C13H10O2S2 262.01222 NA MeJP NA NA +MJ017769 Thiarubrin E C13H10O2S2 262.01222 NA MeJP NA NA +MJ017770 5-Chlorooxazolo[4,5-h]quinoline-2-carboxylic acid; Me ester C12H7ClN2O3 262.014519 NA MeJP NA NA +HMDB11719 Homovanillic acid sulfate C9H10O7S 262.014709 NA HMDB2010 NA NA +MJ017771 Diapamide C9H11ClN2O3S 262.01789 NA MeJP NA NA +MJ017772 Broxaterol C9H15BrN2O2 262.03169 NA MeJP NA NA +MJ017773 Guanoclor C9H12Cl2N4O 262.038816 NA MeJP NA NA +MJ017774 Tiacrilast C12H10N2O3S 262.041212 NA MeJP NA NA +MJ017775 D-Mannitol 1-phosphate C6H15O9P 262.045368 NA MeJP NA NA +MJ017776 D-Sorbitol 6-phosphate C6H15O9P 262.045368 NA MeJP NA NA +MetaCyc02366 mannitol-1-phosphate [D-mannitol-6-phosphate;mannitol-6-P;mannitol-1-P;D-mannitol-1-phosphate;] C6H15O9P1 262.045369 15806-48-1 metacyc NA NA +MetaCyc02367 galactitol-1-phosphate [] C6H15O9P1 262.045369 NA metacyc NA NA +MetaCyc02368 D-sorbitol-6-phosphate [sorbitol 6-phosphate;sorbitol-6-phosphate;glucitol-6-phosphate;] C6H15O9P1 262.045369 108392-12-7 metacyc NA NA +HMDB01530 Mannitol 1-phosphate C6H15O9P 262.04538 http://www.hmdb.ca/metabolites/HMDB01530 HMDB NA NA +HMDB05831 Sorbitol-6-phosphate C6H15O9P 262.04538 http://www.hmdb.ca/metabolites/HMDB05831 HMDB NA NA +HMDB01530 Mannitol 1-phosphate C6H15O9P 262.04538 HMDB01530 PFEM_hmdb_metabocards_official NA NA +HMDB05831 Sorbitol-6-phosphate C6H15O9P 262.04538 HMDB05831 PFEM_hmdb_metabocards_official NA NA +HMDB01530 Mannitol 1-phosphate C6H15O9P 262.04538 NA HMDB2010 NA NA +HMDB05831 Sorbitol-6-phosphate C6H15O9P 262.04538 NA HMDB2010 NA NA +C00644 D-Mannitol 1-phosphate C6H15O9P 262.0454 NA KEGG NA NA +C01096 Sorbitol 6-phosphate C6H15O9P 262.0454 NA KEGG NA NA +C02810 Alditol 6-phosphate C6H15O9P 262.0454 NA KEGG NA NA +C06311 Galactitol 1-phosphate C6H15O9P 262.0454 NA KEGG NA NA +CJneg0477 Isoferulic acid [(M-H)+(HCOONa)]- C11H10NaO6 262.045925 C18rt(min)=6.64 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0477 Isoferulic acid [(M-H)+(HCOONa)]- C11H10NaO6 262.045925 C18rt(min)=6.64 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ017777 N-(2-Chloroethyl)-N'-(2,6-dioxo-3-piperidinyl)-N-nitrosourea C8H11ClN4O4 262.046882 NA MeJP NA NA +C09951 Maclurin C13H10O6 262.0477 NA KEGG NA NA +C16264 2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate C13H10O6 262.0477 NA KEGG NA NA +MJ017778 2,3',4,4',6-Pentahydroxybenzophenone C13H10O6 262.047738 NA MeJP NA NA +MJ017779 2,3',4,5',6-Pentahydroxybenzophenone C13H10O6 262.047738 NA MeJP NA NA +MJ017780 7-Hydroxy-2-oxo-2H-1-benzopyran-6-carboxylic acid; Ac, Me ester C13H10O6 262.047738 NA MeJP NA NA +MJ017781 Ammiol; O4-De-Me C13H10O6 262.047738 NA MeJP NA NA +MJ017782 Antibiotic LL-Z1640-7 C13H10O6 262.047738 NA MeJP NA NA +MJ017783 Leucohymenoquinone C13H10O6 262.047738 NA MeJP NA NA +MetaCyc02369 2-hydroxy-6-(2-carboxyphenyl)-6-oxo-2,4-hexadienoate [2-hydroxy-6-(2-carboxyphenyl)-6-oxo-2,4-hexadienoic acid;] C13H10O6 262.047738 NA metacyc NA NA +MJ017784 Clonixin C13H11ClN2O2 262.050905 NA MeJP NA NA +MJ017785 5-(Methoxymethyl)-4-[(methylsulfonyl)methyl]-1,2,3-benzenetriol C10H14O6S 262.051108 NA MeJP NA NA +MJ017786 Cinoxacin C12H10N2O5 262.058971 NA MeJP NA NA +C08052 Cinoxacin C12H10N2O5 262.059 NA KEGG NA NA +C16633 5-Fluorouridine C9H11FN2O6 262.0601 NA KEGG NA NA +MJ017787 5-Fluorouridine C9H11FN2O6 262.060114 NA MeJP NA NA +MJ017788 Antibiotic NK 901093A C10H15O6P 262.060624 NA MeJP NA NA +FL1A19NF0001 Furano[2'',3'':6,7]aurone C17H10O3 262.06299 61755-74-6 knapsack NA NA +MJ017789 2-(Phenylmethylene)benzo[1,2-b:3,4-b']difuran-3(2H)-one C17H10O3 262.062994 NA MeJP NA NA +MJ017790 Lanceolatin B C17H10O3 262.062994 NA MeJP NA NA +MJ017791 1,3,4,6-Hexanetetracarboxylic acid C10H14O8 262.068867 NA MeJP NA NA +MetaCyc02370 hexane-1,3,4,6-tetracarboxylate [HTCA;] C10H14O8 262.068867 NA metacyc NA NA +MJ017792 Carbadox C11H10N4O4 262.070204 NA MeJP NA NA +MJ017793 Indigotin C16H10N2O2 262.074227 NA MeJP NA NA +MJ017794 Indirubin C16H10N2O2 262.074227 NA MeJP NA NA +MJ017795 Sampangine; 3-Methoxy C16H10N2O2 262.074227 NA MeJP NA NA +MJ017796 Sampangine; 4-Methoxy C16H10N2O2 262.074227 NA MeJP NA NA +MJ017797 Sampangine; 9-Methoxy C16H10N2O2 262.074227 NA MeJP NA NA +MJ017798 Antibiotic SF 2738C C13H14N2O2S 262.077598 NA MeJP NA NA +MJ017799 Benzylsulfamide C13H14N2O2S 262.077598 NA MeJP NA NA +MJ017800 p-Sulfanilylbenzylamine C13H14N2O2S 262.077598 NA MeJP NA NA +CJpos0660 Pseudouridine [(M+H)+(H2O)]+ C9H15N2O7 262.079575 C18rt(min)=1.05 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0660 Pseudouridine [(M+H)+(H2O)]+ C9H15N2O7 262.079575 C18rt(min)=1.05 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ017801 N?-Glutamylaspartic acid; L-L-form C9H14N2O7 262.0801 NA MeJP NA NA +MJ017802 N?-Glutamylaspartic acid; L-L-form C9H14N2O7 262.0801 NA MeJP NA NA +MJ017803 Succinamopine C9H14N2O7 262.0801 NA MeJP NA NA +PJ000118 DE C9H14N2O7 262.0801 NA PeJP NA NA +HMDB11164 L-beta-aspartyl-L-glutamic acid C9H14N2O7 262.080109 NA HMDB2010 NA NA +MJ017804 2,2',3,3'-Tetrahydroxy-5,5'-dimethyldiphenyl ether C14H14O5 262.084123 NA MeJP NA NA +MJ017805 2,2',3,6'-Tetrahydroxy-4',5-dimethyldiphenyl ether C14H14O5 262.084123 NA MeJP NA NA +MJ017806 2,3-Dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one C14H14O5 262.084123 NA MeJP NA NA +MJ017807 2,4,7,8-Tetrahydroxy-6-methyl-1-naphthalenecarboxaldehyde; 4,7-Di-Me ether C14H14O5 262.084123 NA MeJP NA NA +MJ017808 2,5,7-Trihydroxy-3-isopropyl-1,4-naphthoquinone; 7-Me ether C14H14O5 262.084123 NA MeJP NA NA +MJ017809 2,6,7-Trihydroxy-3-methyl-1,4-naphthoquinone; Tri-Me ether C14H14O5 262.084123 NA MeJP NA NA +MJ017810 2,7,8-Trihydroxy-6-methyl-1-naphthalenecarboxaldehyde; 2'-Hydroxy, 7,8-di-Me ether C14H14O5 262.084123 NA MeJP NA NA +MJ017811 2-(1,2-Dihydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one C14H14O5 262.084123 NA MeJP NA NA +MJ017812 3-Ethyl-5-hydroxy-2,6,7-trimethoxy-1,4-naphthoquinone; 6-Demethoxy C14H14O5 262.084123 NA MeJP NA NA +MJ017813 4,5,6,8-Tetrahydroxy-2-naphthalenecarboxaldehyde; 4,6,8-Tri-Me ether C14H14O5 262.084123 NA MeJP NA NA +MJ017814 6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(4-Hydroxy-3-methyl-2-butenyl) C14H14O5 262.084123 NA MeJP NA NA +MJ017815 6-Acetyl-2-isopropenyl-8-methoxy-4H-1,3-benzodioxin-4-one C14H14O5 262.084123 NA MeJP NA NA +MJ017816 6-Ethyl-5-hydroxy-2,7-dimethoxynaphthoquinone C14H14O5 262.084123 NA MeJP NA NA +MJ017817 Buntansin B C14H14O5 262.084123 NA MeJP NA NA +MJ017818 Celereoin C14H14O5 262.084123 NA MeJP NA NA +MJ017819 Chaetoatrosin A C14H14O5 262.084123 NA MeJP NA NA +MJ017820 Dihydrooroselol, 4'-Hydroxy C14H14O5 262.084123 NA MeJP NA NA +MJ017821 Hermandiol C14H14O5 262.084123 NA MeJP NA NA +MJ017822 Itaconitin C14H14O5 262.084123 NA MeJP NA NA +MJ017823 Khellactone C14H14O5 262.084123 NA MeJP NA NA +MJ017824 Obliquin hydrate C14H14O5 262.084123 NA MeJP NA NA +MJ017825 Peucedanol, 2'-Ketone C14H14O5 262.084123 NA MeJP NA NA +MJ017826 Pterybinthinone C14H14O5 262.084123 NA MeJP NA NA +MJ017827 Rutaretin C14H14O5 262.084123 NA MeJP NA NA +MJ017828 Sporostatin C14H14O5 262.084123 NA MeJP NA NA +MJ017829 Suberenone; 1',2'-Dihydro, 2'-hydroxy C14H14O5 262.084123 NA MeJP NA NA +MJ017830 Vaginidiol C14H14O5 262.084123 NA MeJP NA NA +MJ017831 N2-Asparaginyl-N2-hydroxyasparagine C8H14N4O6 262.091334 NA MeJP NA NA +MJ017832 6-Hydroxytryptophan; N?-Ac C13H14N2O4 262.095356 NA MeJP NA NA +MJ017833 Chicamycin B C13H14N2O4 262.095356 NA MeJP NA NA +MJ017834 Konbamidin C13H14N2O4 262.095356 NA MeJP NA NA +MJ017835 Neothramycin A C13H14N2O4 262.095356 NA MeJP NA NA +MJ017836 Pidolacetamol C13H14N2O4 262.095356 NA MeJP NA NA +MJ017837 Pukeleimide, ?10,13-Isomer, 13-deoxy C13H14N2O4 262.095356 NA MeJP NA NA +MJ017838 1,2-Dihydro-3-phenyl-1,2-acenaphthylenediol C18H14O2 262.099379 NA MeJP NA NA +MJ017839 Xerulin C18H14O2 262.099379 NA MeJP NA NA +MJ017840 2-(2-Heptynylthio)phenol; Ac C15H18O2S 262.10275 NA MeJP NA NA +MJ017841 8-Decene-4,6-diyn-1-ol, 3-(Methylthio)-2-butenoyl(Z-) C15H18O2S 262.10275 NA MeJP NA NA +MJ017842 9-(2-Thienyl)-4,6-nonadien-8-yn-1-ol; Deoxy, 3-acetoxy, 4,5-dihydro C15H18O2S 262.10275 NA MeJP NA NA +MJ017843 [5-(5-Methylthien-2-yl)-2-penten-4-ynyl] 3-methylbutanoate C15H18O2S 262.10275 NA MeJP NA NA +HMDB00940 Threonolactone C10H22O4Si2 262.10565 http://www.hmdb.ca/metabolites/HMDB00940 HMDB NA NA +HMDB00940 Threonolactone C10H22O4Si2 262.10565 HMDB00940 PFEM_hmdb_metabocards_official NA NA +7815 ACE inhibitor from chickpea legumin MFDL 262.10965 MH2+ Inhouse_peptide NA peptide +MJ017844 Cryptoheptine C17H14N2O 262.110613 NA MeJP NA NA +MJ017845 Ellipticine; 12-Hydroxy C17H14N2O 262.110613 NA MeJP NA NA +MJ017846 Ellipticine; 9-Hydroxy C17H14N2O 262.110613 NA MeJP NA NA +MJ017847 Ellipticine; N2-Oxide C17H14N2O 262.110613 NA MeJP NA NA +MJ017848 Homocryptolepinone C17H14N2O 262.110613 NA MeJP NA NA +MJ017849 Olivacine; N-Oxide C17H14N2O 262.110613 NA MeJP NA NA +MJ017850 Vittacarboline C17H14N2O 262.110613 NA MeJP NA NA +MJ017851 1-[1-(4-Fluorophenyl)ethyl]-1H-imidazole-5-carboxylic acid, Et ester C14H15FN2O2 262.111755 NA MeJP NA NA +MJ017852 16-Chloro-7,13,15-hexadecatriene-9,11-diyn-2-ol C16H19ClO 262.112442 NA MeJP NA NA +MJ017853 16-Chloro-7,13,15-hexadecatriene-9,11-diyn-3-ol C16H19ClO 262.112442 NA MeJP NA NA +MJ017854 Nopalinic acid C10H18N2O6 262.116486 NA MeJP NA NA +C01683 D-Ornaline C10H18N2O6 262.1165 NA KEGG NA NA +3178 dipeptidyl-aminopeptidase IV inhibitor FP 262.12 celiac toxic Inhouse_peptide NA peptide +3502 ACE inhibitor (BSA fr, 221-222) FP 262.12 ACE inhibitor Inhouse_peptide NA peptide +C09344 Artemisin C15H18O4 262.1205 NA KEGG NA NA +C09396 Dihydrogriesenin C15H18O4 262.1205 NA KEGG NA NA +C09450 Farinosin C15H18O4 262.1205 NA KEGG NA NA +C09472 Grosshemin C15H18O4 262.1205 NA KEGG NA NA +C09473 Helenalin C15H18O4 262.1205 NA KEGG NA NA +C09504 Mexicanin I C15H18O4 262.1205 NA KEGG NA NA +C09508 Microhelenin A C15H18O4 262.1205 NA KEGG NA NA +C09523 Parthenin C15H18O4 262.1205 NA KEGG NA NA +C09552 Stramonin B C15H18O4 262.1205 NA KEGG NA NA +C09701 Marasmic acid C15H18O4 262.1205 NA KEGG NA NA +MJ017855 1(10),4,11(13)-Germacratrien-12,6-olid-14-oic acid C15H18O4 262.120509 NA MeJP NA NA +MJ017856 1(10),4,11(13)-Germacratrien-12,8-olid-14-oic acid C15H18O4 262.120509 NA MeJP NA NA +MJ017857 1,10-Epoxy-2-hydroxy-3,11(13)-guaiadien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017858 1,10-Epoxy-3-guaien-12,6-olide, ?4 Isomer, 3-oxo C15H18O4 262.120509 NA MeJP NA NA +MJ017859 1,10-Epoxy-3-hydroxy-4(15),11(13)-guaiadien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017860 1,10:3,4-Diepoxy-11(13)-guaien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017861 1,14-Dihydroxy-3,9,11(13)-guaiatrien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017862 1,2-Epoxy-3-hydroxy-4,11(13)-eudesmadien-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017863 1,2:3,4-Diepoxy-11(13)-eudesmen-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017864 1,3-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Ketone C15H18O4 262.120509 NA MeJP NA NA +MJ017865 1,4-Dihydro-6,8-dihydroxy-1-methyl-3H-2-benzopyran-3-one; 5-(3-Methyl-2-butenyl) C15H18O4 262.120509 NA MeJP NA NA +MJ017866 1,4-Dihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017867 1,4-Dihydroxy-2,11(13)-eudesmadien-12,6-olide, 1-Ketone C15H18O4 262.120509 NA MeJP NA NA +MJ017868 1,4-Epidioxy-2,5-guaiadien-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017869 1,4-Epidioxy-2,9,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro C15H18O4 262.120509 NA MeJP NA NA +MJ017870 1,5-Dihydroxy-2,4(15),11(13)-eudesmatrien-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017871 1,5-Epoxy-6-hydroxy-4(15),10(14),11(13)-germacratrien-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017872 1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide, 1-Ketone C15H18O4 262.120509 NA MeJP NA NA +MJ017873 1,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017874 1,8-Dihydroxy-3,9,11(13)-guaiatrien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017875 1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Ketone C15H18O4 262.120509 NA MeJP NA NA +MJ017876 1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-2-buten-1-one; 1''-Alcohol, 1''-Ac C15H18O4 262.120509 NA MeJP NA NA +MJ017877 1-Hydroxy-2-oxo-3,11(13)-eudesmadien-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017878 1-Hydroxy-2-oxo-3,7(11)-eudesmadien-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017879 1-Hydroxy-3,9,11(13)-guaiatrien-12,6-olide, 1-Hydroperoxide C15H18O4 262.120509 NA MeJP NA NA +MJ017880 1-Hydroxy-3-oxo-4,11(13)-eudesmadien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017881 1-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017882 1-Oxo-2,4-eudesmadien-12,6-olide, 4?,5?-Epoxide C15H18O4 262.120509 NA MeJP NA NA +MJ017883 10,14-Epoxy-4-oxo-11(13)-pseudoguaien-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017884 10,14-Epoxy-4-oxo-12,6-pseudoguaianolide; 1,2-Didehydro C15H18O4 262.120509 NA MeJP NA NA +MJ017885 10,14-Epoxy-8-hydroxy-3,11(13)-guaiadien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017886 10-Hydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017887 11(13)-Epoxy-4-oxo-2-pseudoguaien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017888 11,13-Epoxy-3-hydroxy-4(15),10(14)-guaiadien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017889 11-Hydroxy-3-oxo-1,4(15)-eudesmadien-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017890 11-Hydroxy-3-oxo-1,4-eudesmadien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017891 14,15-Epoxy-14-hydroxy-3,5(15)-isocedradien-12-oic acid; 14?-form C15H18O4 262.120509 NA MeJP NA NA +MJ017892 14-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017893 15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 15-Carboxylic acid C15H18O4 262.120509 NA MeJP NA NA +MJ017894 15-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-Carboxylic acid C15H18O4 262.120509 NA MeJP NA NA +MJ017895 15-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017896 15-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017897 2,14-Dioxo-3-guaien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017898 2,3,3a,9a-Tetrahydro-9-hydroxy-2-(1-hydroxy-1-methylethyl)naphtho[2,3-b]furan-4(9H)-one C15H18O4 262.120509 NA MeJP NA NA +MJ017899 2,3-Dihydro-5,7-dihydroxy-2-isopropenyl-6-(2-methylpropenoyl)benzofuran C15H18O4 262.120509 NA MeJP NA NA +MJ017900 2,3-Dihydroxy-1(10),7(11),8-eremophilatrien-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017901 2,5-Dihydroxy-1(10),3-guaiadien-12,6-olide, 2-Ketone C15H18O4 262.120509 NA MeJP NA NA +MJ017902 2,6,10-Farnesatriene-1,15:13,9-diolide C15H18O4 262.120509 NA MeJP NA NA +MJ017903 2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017904 2-(3-Methyl-2-oxiranyl)-1,4-benzenediol; 4-Me ether, 1-O-tigloyl C15H18O4 262.120509 NA MeJP NA NA +MJ017905 2-(3-Methyl-2-oxiranyl)-1,4-benzenediol; 4-Me ether, 1-angeloyl C15H18O4 262.120509 NA MeJP NA NA +MJ017906 2-Hydroxy-3-methylbutanoic acid, O-Cinnamoyl, Me ester C15H18O4 262.120509 NA MeJP NA NA +MJ017907 2-Hydroxy-3-oxo-1,11(13)-pseudoguaiadien-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017908 2-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 1?,10?-epoxide C15H18O4 262.120509 NA MeJP NA NA +MJ017909 3,15-Dihydroxy-4,11(13)-eudesmadien-12,8-olide; 3?-form, 3-Ketone C15H18O4 262.120509 NA MeJP NA NA +MJ017910 3,4,4a,10a-Tetrahydro-4,10-dihydroxy-2,2-dimethyl-2H-naphtho[2,3-b]pyran-5-one C15H18O4 262.120509 NA MeJP NA NA +MJ017911 3,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 3-Ketone, 1,2-didehydro C15H18O4 262.120509 NA MeJP NA NA +MJ017912 3,4-Dihydroxy-5-prenylcinnamic acid, 3-Me ether C15H18O4 262.120509 NA MeJP NA NA +MJ017913 3,4-Dioxo-1-pseudoguaien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017914 3,4-Epoxy-10(14),11(13)-guaiadien-12,6-olide, 10?,14-Epoxide C15H18O4 262.120509 NA MeJP NA NA +MJ017915 3,4-Epoxy-10(14),11(13)-guaiadien-12,6-olide, 10?,14-Epoxide C15H18O4 262.120509 NA MeJP NA NA +MJ017916 3,4-Epoxy-2-hydroxy-1(10),11(13)-guaiadien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017917 3,4-Epoxy-8-hydroxy-1(10),11(13)-guaiadien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017918 3,4-Seco-10(14),11(13)-guaiadiene-3,4:12,6-diolide C15H18O4 262.120509 NA MeJP NA NA +MJ017919 3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017920 3,6-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 3-Ketone C15H18O4 262.120509 NA MeJP NA NA +MJ017921 3,7,12-Trihydroxy-1,9,11(13)-eremophilatrien-8-one, 12-Aldehyde C15H18O4 262.120509 NA MeJP NA NA +MJ017922 3,7,12-Trihydroxy-1,9,11(13)-eremophilatrien-8-one, 3-Ketone C15H18O4 262.120509 NA MeJP NA NA +MJ017923 3,8-Dihydroxy-10(14)-guaien-12,6-olide, 11,13-Didehydro, 3-ketone C15H18O4 262.120509 NA MeJP NA NA +MJ017924 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017925 3,9-Dihydroxy-10(14)-guaien-12,6-olide, 11,13-Didehydro, 3-ketone C15H18O4 262.120509 NA MeJP NA NA +MJ017926 3,9-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017927 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1-angeloyl C15H18O4 262.120509 NA MeJP NA NA +MJ017928 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 4-O-(3-Methyl-2-butenyl) C15H18O4 262.120509 NA MeJP NA NA +MJ017929 3-(4-Hydroxyphenyl)-2-propenal, 4'-O-[3-(Methoxycarbonyl)butyl] C15H18O4 262.120509 NA MeJP NA NA +MJ017930 3-Hydroxy-2-oxo-1(10),3,11(13)-eremophilatrien-12-oic acid C15H18O4 262.120509 NA MeJP NA NA +MJ017931 3-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017932 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Epoxide C15H18O4 262.120509 NA MeJP NA NA +MJ017933 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 4?,15-Epoxide C15H18O4 262.120509 NA MeJP NA NA +MJ017934 3-Hydroxy-8-oxo-2(9),6-lactaradien-5,14-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017935 3-Hydroxy-8-oxo-2(9),7(14)-illudadien-13-oic acid; 3?-form C15H18O4 262.120509 NA MeJP NA NA +MJ017936 3-Methyl-2-buten-1-ol; 4-Hydroxy-3-methoxy-E-cinnamoyl C15H18O4 262.120509 NA MeJP NA NA +MJ017937 3-Methyl-3-buten-1-ol; 4-Hydroxy-3-methoxycinnamoyl(E-) C15H18O4 262.120509 NA MeJP NA NA +MJ017938 3-Oxo-1,4(15),11(13)-eudesmatrien-12,8-olide, 4?,15-Dihydro, 1?,2?-epoxide C15H18O4 262.120509 NA MeJP NA NA +MJ017939 3-Oxo-1,4(15),11(13)-eudesmatrien-12,8-olide, 4?,15-Dihydro, 1?,2?-epoxide C15H18O4 262.120509 NA MeJP NA NA +MJ017940 3-Oxo-1,9,11(13)-eremophilatrien-12-oic acid; 9?,10?-Epoxide C15H18O4 262.120509 NA MeJP NA NA +MJ017941 3-Oxo-1,9,11(13)-eremophilatrien-12-oic acid; 9?,10?-Epoxide C15H18O4 262.120509 NA MeJP NA NA +MJ017942 3-[2,3-Dihydro-2-(2-hydroxy-1-methylethyl)-5-benzofuranyl]-2-propenoic acid, Me ester C15H18O4 262.120509 NA MeJP NA NA +MJ017943 3-[4-Hydroxy-3-(4-hydroxy-3-methyl-2-butenyl)phenyl]-2-propenoic acid, Me ester C15H18O4 262.120509 NA MeJP NA NA +MJ017944 4,5-Dihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017945 4,5-Epoxy-1-hydroxy-10(14),11(13)-germacradien-12,6-olide, 1-Ketone C15H18O4 262.120509 NA MeJP NA NA +MJ017946 4,5-Epoxy-1-hydroxy-2,11(13)-eudesmadien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017947 4,5-Epoxy-9-hydroxy-1(10),11(13)-germacradien-12,6-olide, 9-Ketone C15H18O4 262.120509 NA MeJP NA NA +MJ017948 4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranone; 6-O-(3-Methyl-2-butenyl), 4-Me ether C15H18O4 262.120509 NA MeJP NA NA +MJ017949 4,8-Dihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017950 4-Hydroxy-1-oxo-2,11(13)-eudesmadien-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017951 4-Isocedren-15,14-olid-12-oic acid C15H18O4 262.120509 NA MeJP NA NA +MJ017952 4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 1?,5?-Epoxide C15H18O4 262.120509 NA MeJP NA NA +MJ017953 4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 1?,5?-Epoxide C15H18O4 262.120509 NA MeJP NA NA +MJ017954 4-Oxo-7(11)-pseudoguaien-12,6-olide, 13-Hydroxy, 2,3-didehydro C15H18O4 262.120509 NA MeJP NA NA +MJ017955 5,14-Epoxy-13-hydroxy-2,5,7(14)-illudalatrien-4-oic acid C15H18O4 262.120509 NA MeJP NA NA +MJ017956 5,6,7,8-Tetrahydroyangonin C15H18O4 262.120509 NA MeJP NA NA +MJ017957 5-Acetyl-2,3-dihydro-6,7-dihydroxy-2-isopropenylbenzofuran; Di-Me ether C15H18O4 262.120509 NA MeJP NA NA +MJ017958 5-Hydroxy-1,8,9,10-tetrahydro-4,8,8-trimethyl-2H,4H-benzo[1,2-b:4,3-c]dipyran-2-one C15H18O4 262.120509 NA MeJP NA NA +MJ017959 5-Hydroxy-14-oxo-7-marasmen-15,5-olide; 5?-form C15H18O4 262.120509 NA MeJP NA NA +MJ017960 5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro C15H18O4 262.120509 NA MeJP NA NA +MJ017961 5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro C15H18O4 262.120509 NA MeJP NA NA +MJ017962 5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, 14-Hydroxy, 11?,13-dihydro, lactone C15H18O4 262.120509 NA MeJP NA NA +MJ017963 5-Hydroxy-2-oxo-3,11(13)-eudesmadien-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017964 5-Hydroxy-7-methoxy-2-pentyl-4H-1-benzopyran-4-one C15H18O4 262.120509 NA MeJP NA NA +MJ017965 6,12-Epoxy-7-hydroxy-9,11-eremophiladiene-1,8-dione C15H18O4 262.120509 NA MeJP NA NA +MJ017966 6,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14-Aldehyde C15H18O4 262.120509 NA MeJP NA NA +MJ017967 6,7-Epoxy-5-hydroxy-4(15)-hirsuten-12-oic acid, 5-Ketone C15H18O4 262.120509 NA MeJP NA NA +MJ017968 6-Acetyl-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran; Di-Me ether C15H18O4 262.120509 NA MeJP NA NA +MJ017969 6-Acetyl-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran; Di-Me ether C15H18O4 262.120509 NA MeJP NA NA +MJ017970 6-Acetyl-8-hydroxy-2,2-dimethyl-2H-1-benzopyran; 5-Methoxy, 8-Me ether C15H18O4 262.120509 NA MeJP NA NA +MJ017971 6-Hydroxy-1,11(13)-pseudoguaiadien-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017972 6-Hydroxy-2-oxo-1(10),3-guaiadien-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017973 6-Hydroxy-3-oxo-4,11(13)-guaiadien-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017974 6-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017975 6-Hydroxyfuranoeremophil-1(10)-en-9-one, 1?,10?-Epoxide C15H18O4 262.120509 NA MeJP NA NA +MJ017976 7(11)-Eremophilene-12,8:15,6-diolide C15H18O4 262.120509 NA MeJP NA NA +MJ017977 7-Eremophilene-12,8:15,6-diolide C15H18O4 262.120509 NA MeJP NA NA +MJ017978 7-Hydroxy-3-oxo-4,11(13)-eudesmadien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017979 7-Hydroxy-6-(3-hydroxy-3-methyl-1-butenyl)-2H-1-benzopyran-2-one, 1',2'-Dihydro, 7-Me ether C15H18O4 262.120509 NA MeJP NA NA +MJ017980 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-Pentyl C15H18O4 262.120509 NA MeJP NA NA +MJ017981 8,13-Dihydroxy-1,1(10),4,7(11)-germacratetraen-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017982 8,14-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017983 8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, 15-aldehyde C15H18O4 262.120509 NA MeJP NA NA +MJ017984 8-Acetyl-5,7-dihydroxy-2,2-dimethylchromene; Di-Me ether C15H18O4 262.120509 NA MeJP NA NA +MJ017985 8-Hydroxy-1-oxo-2,4-eudesmadien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017986 8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017987 8-Hydroxy-14-oxo-1(10),4-germacradien-12,6-olide, 8-Ketone C15H18O4 262.120509 NA MeJP NA NA +MJ017988 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro C15H18O4 262.120509 NA MeJP NA NA +MJ017989 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro C15H18O4 262.120509 NA MeJP NA NA +MJ017990 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro C15H18O4 262.120509 NA MeJP NA NA +MJ017991 8-Hydroxy-3-oxo-1,4-eudesmadien-12,6-olide C15H18O4 262.120509 NA MeJP NA NA +MJ017992 9,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 9-Ketone C15H18O4 262.120509 NA MeJP NA NA +MJ017993 Adenostylide C15H18O4 262.120509 NA MeJP NA NA +MJ017994 Cacalolide; 11Epimer, 11?-hydroxy C15H18O4 262.120509 NA MeJP NA NA +MJ017995 Cacalolide; 11?-Hydroxy C15H18O4 262.120509 NA MeJP NA NA +MJ017996 Cacalone; 6-Hydroperoxide C15H18O4 262.120509 NA MeJP NA NA +MJ017997 Chloranthalactone D; 9?-Hydroxy C15H18O4 262.120509 NA MeJP NA NA +MJ017998 Clavicoronic acid C15H18O4 262.120509 NA MeJP NA NA +MJ017999 Confertdiolide C15H18O4 262.120509 NA MeJP NA NA +MJ018000 Cyclogregatin C15H18O4 262.120509 NA MeJP NA NA +MJ018001 Dihydrosterepolide C15H18O4 262.120509 NA MeJP NA NA +MJ018002 Drupanin; 2''R-Hydroxy, Me ester C15H18O4 262.120509 NA MeJP NA NA +MJ018003 Elemanschkuhriolide C15H18O4 262.120509 NA MeJP NA NA +MJ018004 Fomannosin C15H18O4 262.120509 NA MeJP NA NA +MJ018005 Griesenin; 2,3-Dihydro C15H18O4 262.120509 NA MeJP NA NA +MJ018006 Hyphodontal C15H18O4 262.120509 NA MeJP NA NA +MJ018007 Illicinone A, 11S,12-Epoxide C15H18O4 262.120509 NA MeJP NA NA +MJ018008 Illicinone A, 2?,3-Dihydro C15H18O4 262.120509 NA MeJP NA NA +MJ018009 Illicinone A, ?10,11-Isomer, 12-hydroxy C15H18O4 262.120509 NA MeJP NA NA +MJ018010 Ivaxillarin C15H18O4 262.120509 NA MeJP NA NA +MJ018011 Lagopodin A; 5-Hydroxy C15H18O4 262.120509 NA MeJP NA NA +MJ018012 Leaianafulvene C15H18O4 262.120509 NA MeJP NA NA +MJ018013 Massarinolin A C15H18O4 262.120509 NA MeJP NA NA +MJ018014 Melicophyllone A; 7-Hydroxy C15H18O4 262.120509 NA MeJP NA NA +MJ018015 Methyl demethoxywutaiensate C15H18O4 262.120509 NA MeJP NA NA +MJ018016 Mexicanin D C15H18O4 262.120509 NA MeJP NA NA +MJ018017 Microhelenin A C15H18O4 262.120509 NA MeJP NA NA +MJ018018 Nivefuranone A C15H18O4 262.120509 NA MeJP NA NA +MJ018019 Norpinguisone; 12-Carboxylic acid, Me ester C15H18O4 262.120509 NA MeJP NA NA +MJ018020 Osthenol; 2',3'-Dihydro, 3'-hydroxy, O7-Me C15H18O4 262.120509 NA MeJP NA NA +MJ018021 Pentalenolactone E C15H18O4 262.120509 NA MeJP NA NA +MJ018022 Pergillin; 2,10-Dihydro C15H18O4 262.120509 NA MeJP NA NA +MJ018023 Pinguisanolide; 4,15-Didehydro, 10,11-diepimer C15H18O4 262.120509 NA MeJP NA NA +MJ018024 Postiasecoguaianolide C15H18O4 262.120509 NA MeJP NA NA +MJ018025 Psilostachyin C; 1,10-Didehydro C15H18O4 262.120509 NA MeJP NA NA +MJ018026 Scabequinone, 2,3-Dihydro C15H18O4 262.120509 NA MeJP NA NA +MJ018027 Serratifolide A C15H18O4 262.120509 NA MeJP NA NA +MJ018028 Shizukanolide E C15H18O4 262.120509 NA MeJP NA NA +MJ018029 Shizukanolide F C15H18O4 262.120509 NA MeJP NA NA +MJ018030 Smyrnicordiolide; 8?-Hydroxy C15H18O4 262.120509 NA MeJP NA NA +MJ018031 Ursinanolide C15H18O4 262.120509 NA MeJP NA NA +MJ018032 Wutaiensol, 3'-Aldehyde C15H18O4 262.120509 NA MeJP NA NA +MJ018033 Wyerone acid, 8-Alcohol, 11,12-dihydro, Me ester C15H18O4 262.120509 NA MeJP NA NA +MJ018034 Zinnolide; 1-Deoxo, 3-ketone C15H18O4 262.120509 NA MeJP NA NA +MJ018035 Zinnolide; 3-Deoxy C15H18O4 262.120509 NA MeJP NA NA +2864 NA YPFV 262.1255 MH2+ Inhouse_peptide NA peptide +MJ018036 2-Amino-5-guanidino-3-hydroxypentanoic acid, N2-(2-Carboxyethyl) C9H18N4O5 262.127719 NA MeJP NA NA +C07844 Methohexital C14H18N2O3 262.1317 NA KEGG NA NA +C07845 Transferred to D00712 C14H18N2O3 262.1317 NA KEGG NA NA +C09232 Physovenine C14H18N2O3 262.1317 NA KEGG NA NA +MJ018037 Bohemamine C14H18N2O3 262.131742 NA MeJP NA NA +MJ018038 Cytisine, N-Ethoxycarbonyl C14H18N2O3 262.131742 NA MeJP NA NA +MJ018039 Letimide C14H18N2O3 262.131742 NA MeJP NA NA +MJ018040 Methohexital C14H18N2O3 262.131742 NA MeJP NA NA +MJ018041 Physovenine C14H18N2O3 262.131742 NA MeJP NA NA +HMDB11177 L-phenylalanyl-L-proline C14H18N2O3 262.131744 NA HMDB2010 NA NA +HMDB11179 L-prolyl-L-phenylalanine C14H18N2O3 262.131744 NA HMDB2010 NA NA +PJ000119 PF C14H18N2O3 262.1318 NA PeJP NA NA +PJ000120 LM C11H22N2O3S 262.1351 NA PeJP NA NA +MJ018042 1,7-Diphenyl-4,6-heptadien-3-one C19H18O 262.135765 NA MeJP NA NA +MJ018043 Streptidine C8H18N6O4 262.138953 NA MeJP NA NA +C00837 Streptidine C8H18N6O4 262.139 NA KEGG NA NA +C00839 Tropomyosin C4H6N2O3R2 262.139 NA KEGG NA NA +C00840 Vasopressin C4H6N2O3R2 262.139 NA KEGG NA NA +MJ018044 Furodysinin, 14-(Methylthio) C16H22OS 262.139136 NA MeJP NA NA +MJ018045 1,2:15,16-Diepoxy-4,7,10,13-tetraoxahexadecane C12H22O6 262.141638 NA MeJP NA NA +MJ018046 2-Hexen-1-ol, O-?-D-Glucopyranoside C12H22O6 262.141638 NA MeJP NA NA +MJ018047 3-Hexen-1-ol, O-?-D-Glucopyranoside C12H22O6 262.141638 NA MeJP NA NA +MJ018048 Phaseolic acid C12H22O6 262.141638 NA MeJP NA NA +MJ018049 1-Benzyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole C18H18N2 262.146998 NA MeJP NA NA +MJ018050 Cibenzoline C18H18N2 262.146998 NA MeJP NA NA +MJ018051 3,4-Dihydroellipticine; N2-Me C18H19N2(+) 262.146998 NA MeJP NA NA +MJ018052 11-Hydroxy-1,3,5,9-bisabolatetraen-15-oic acid; Me ester C16H22O3 262.156894 NA MeJP NA NA +MJ018053 11-Oxo-5-silphiperfolen-13-oic acid; Me ester C16H22O3 262.156894 NA MeJP NA NA +MJ018054 2,15-Dihydroxy-1,4,6-eudesmatrien-3-one; 2-Me ether C16H22O3 262.156894 NA MeJP NA NA +MJ018055 2,5-Dihydroxy-15-calamenenal, 2-Me ether C16H22O3 262.156894 NA MeJP NA NA +MJ018056 2-(3,7-Dimethyl-2,6-octadienyl)-1,4-benzenediol; ?1'-Isomer(E-), 3'-hydroxy C16H22O3 262.156894 NA MeJP NA NA +MJ018057 2-(3,7-Dimethyl-2,6-octadienyl)-1,4-benzenediol; ?1'-Isomer(Z-), 3'-hydroxy C16H22O3 262.156894 NA MeJP NA NA +MJ018058 3,14-Calamenenediol; 14-Carboxylic acid, Me ether C16H22O3 262.156894 NA MeJP NA NA +MJ018059 3,3,5-Trimethylcyclohexanol; O-(2-Hydroxybenzoyl) C16H22O3 262.156894 NA MeJP NA NA +MJ018060 3-Hydroxy-1,4(15),11(13)-eudesmatrien-12-oic acid, Me ester C16H22O3 262.156894 NA MeJP NA NA +MJ018061 3-Hydroxy-4,11(13)-guaiadien-12,8-olide, Me ether C16H22O3 262.156894 NA MeJP NA NA +MJ018062 3-Hydroxy-4,11(13)-guaiadien-12,8-olide, 3-Me ether C16H22O3 262.156894 NA MeJP NA NA +MJ018063 3-Oxo-4,11(13)-guaiadien-12-oic acid, Me ester C16H22O3 262.156894 NA MeJP NA NA +MJ018064 4,5,6,9,10,10a-Hexahydro-10a-hydroxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one; Me ether C16H22O3 262.156894 NA MeJP NA NA +MJ018065 4-Hydroxy-10(14),11(13)-guaiadien-12,6-olide, Me ether C16H22O3 262.156894 NA MeJP NA NA +MJ018066 5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acid, 7,8-Dihydro, Me ester C16H22O3 262.156894 NA MeJP NA NA +MJ018067 5-(2-Propenyl)-1,2,3-benzenetriol; 1,3-Di-Me ether, 2-O-(3-methyl-2-butenyl) C16H22O3 262.156894 NA MeJP NA NA +MJ018068 5-Hydroxy-2,5,10-bisabolatriene-1,4-dione, Me ether C16H22O3 262.156894 NA MeJP NA NA +MJ018069 7-Oxo-5,10-pinguisadien-12-oic acid; Me ester C16H22O3 262.156894 NA MeJP NA NA +MJ018070 8,12-Epoxy-2-hydroxy-1(10),7,11-germacratrien-6-one, Me ether C16H22O3 262.156894 NA MeJP NA NA +MJ018071 8-Hydroxy-4(15),7(11)-eudesmadien-12,8-olide, Me ether C16H22O3 262.156894 NA MeJP NA NA +MJ018072 8-Hydroxy-4,7(11)-guaiadien-12,8-olide, Me ether C16H22O3 262.156894 NA MeJP NA NA +MJ018073 Alliodorol C16H22O3 262.156894 NA MeJP NA NA +MJ018074 Antibiotic A 82775C C16H22O3 262.156894 NA MeJP NA NA +MJ018075 Cordiol A C16H22O3 262.156894 NA MeJP NA NA +MJ018076 Cyercene A C16H22O3 262.156894 NA MeJP NA NA +MJ018077 Fencibutirol C16H22O3 262.156894 NA MeJP NA NA +MJ018078 Furanoeremophil-1(10)-ene-4,6-diol, 6-Me ether C16H22O3 262.156894 NA MeJP NA NA +MJ018079 Furodysinin lactone; Me ether C16H22O3 262.156894 NA MeJP NA NA +MJ018080 Montiporic acid B C16H22O3 262.156894 NA MeJP NA NA +MJ018081 Placidene A C16H22O3 262.156894 NA MeJP NA NA +MJ018082 Primnatrienone; 6-Methoxy, 3-hydroxy C16H22O3 262.156894 NA MeJP NA NA +MJ018083 Pterosin D, 4-Me ether C16H22O3 262.156894 NA MeJP NA NA +MJ018084 Pterosin K, Dechloro, 4-methoxy C16H22O3 262.156894 NA MeJP NA NA +MJ018085 Sporochnol C; 6',7'-Epoxide C16H22O3 262.156894 NA MeJP NA NA +MJ018086 Versiol C16H22O3 262.156894 NA MeJP NA NA +C18132 3''-Hydroxy-geranylhydroquinone C16H22O3 262.1569 NA KEGG NA NA +3742 NA PKAIP 262.1595 MH2+ Inhouse_peptide NA peptide +C10754 Argyrolobine C15H22N2O2 262.1681 NA KEGG NA NA +MJ018087 1,2,3,4-Tetrahydro-8-(2-morpholinylmethoxy)quinoline, N-Me C15H22N2O2 262.168127 NA MeJP NA NA +MJ018088 10,17-Dioxosparteine C15H22N2O2 262.168127 NA MeJP NA NA +MJ018089 17-Oxolupanine C15H22N2O2 262.168127 NA MeJP NA NA +MJ018090 ?-Isosparteine, 10,17-Dioxo C15H22N2O2 262.168127 NA MeJP NA NA +MJ018091 Allomatrine, 13-Oxo C15H22N2O2 262.168127 NA MeJP NA NA +MJ018092 Alprenoxime C15H22N2O2 262.168127 NA MeJP NA NA +MJ018093 Angustifoline, N-Formyl C15H22N2O2 262.168127 NA MeJP NA NA +MJ018094 Aphyllidine, 13S-Hydroxy C15H22N2O2 262.168127 NA MeJP NA NA +MJ018095 Aphyllidine, 2R-Hydroxy C15H22N2O2 262.168127 NA MeJP NA NA +MJ018096 Aphyllidine, 2S-Hydroxy C15H22N2O2 262.168127 NA MeJP NA NA +MJ018097 Aphyllidine, 2?-Hydroxy C15H22N2O2 262.168127 NA MeJP NA NA +MJ018098 Lehmannine; N'?-Oxide C15H22N2O2 262.168127 NA MeJP NA NA +MJ018099 Leontalbine, 1S-Oxide C15H22N2O2 262.168127 NA MeJP NA NA +MJ018100 Leontalbinine; 13-Hydroxy C15H22N2O2 262.168127 NA MeJP NA NA +MJ018101 Leontalbinine; N1-Oxide C15H22N2O2 262.168127 NA MeJP NA NA +MJ018102 Mamanine C15H22N2O2 262.168127 NA MeJP NA NA +MJ018103 Mepindolol C15H22N2O2 262.168127 NA MeJP NA NA +MJ018104 Mixidine C15H22N2O2 262.168127 NA MeJP NA NA +MJ018105 Multiflorine; 13?-Hydroxy C15H22N2O2 262.168127 NA MeJP NA NA +MJ018106 Multiflorine; 13?-Hydroxy C15H22N2O2 262.168127 NA MeJP NA NA +MJ018107 Multiflorine; 16-N-Oxide C15H22N2O2 262.168127 NA MeJP NA NA +MJ018108 Penirolol C15H22N2O2 262.168127 NA MeJP NA NA +MJ018109 Sophocarpine; 1-Oxide C15H22N2O2 262.168127 NA MeJP NA NA +MJ018110 Sophocarpine; 12?-Hydroxy C15H22N2O2 262.168127 NA MeJP NA NA +MJ018111 Sophocarpine; 5-Epimer, 1-oxide C15H22N2O2 262.168127 NA MeJP NA NA +MJ018112 Sophocarpine; 5-Hydroxy C15H22N2O2 262.168127 NA MeJP NA NA +MJ018113 Sophocarpine; 9?-Hydroxy C15H22N2O2 262.168127 NA MeJP NA NA +MJ018114 Termine C15H22N2O2 262.168127 NA MeJP NA NA +MJ018115 Tetrahydrocytisine; 11-Oxo, N-(3-butenyl) C15H22N2O2 262.168127 NA MeJP NA NA +MJ018116 Diptamine C12H26N2O2S 262.171498 NA MeJP NA NA +MJ018117 1(10),11(13)-Eremophiladien-12-ol; Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018118 1(10),4,7(11)-Germacratrien-9-ol, Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018119 1(10)-Aristolen-12-ol; Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018120 1,3(15),6-Humulatrien-14-ol; Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018121 1,4,9-Heptadecatrien-6-yne-3,8-diol C17H26O2 262.19328 NA MeJP NA NA +MJ018122 1,9-Heptadecadiene-4,6-diyne-3,8-diol, 1,2-Dihydro C17H26O2 262.19328 NA MeJP NA NA +MJ018123 1-Heptadecene-4,6-diyne-3,9-diol C17H26O2 262.19328 NA MeJP NA NA +MJ018124 10,16-Heptadecadien-8-ynoic acid C17H26O2 262.19328 NA MeJP NA NA +MJ018125 14,15,16-Trinor-11-labden-13,8-olide; 8?-form C17H26O2 262.19328 NA MeJP NA NA +MJ018126 2,6,10-Bisabolatrien-9-ol, Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018127 2,6,9-Humulatrien-14-ol; Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018128 2,7(14),10-Bisabolatrien-12-ol, Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018129 2-Isocomen-14-ol; Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018130 2-Isocomen-9-ol, Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018131 2-Modhephen-12-ol; Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018132 2-Modhephen-13-ol; Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018133 2-Modhephen-15-ol; Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018134 2-Sterpuren-6-ol; Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018135 3(15),6-Caryophylladien-12-ol, Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018136 3(15),7(14)-Caryophylladien-6-ol; Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018137 3,11-Eudesmadien-6-ol, Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018138 3,5,10-Bisabolatrien-12-ol; Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018139 3,7(14)-Caryophylladien-6-ol; Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018140 3-(11-Dodecenyl)-5-methyl-2(5H)-furanone, 11,12-Didehydro C17H26O2 262.19328 NA MeJP NA NA +MJ018141 4(15),5,10(14)-Germacratrien-1-ol, Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018142 4,11(13)-Cadinadien-12-ol; Stereoisomer, Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018143 4,11-Cadinadien-15-ol, Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018144 4,6-Cadinadiene, 12-Acetoxy C17H26O2 262.19328 NA MeJP NA NA +MJ018145 4,7(11)-Muuroladien-12-ol, Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018146 4-Aromadendren-8-ol, Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018147 4-Patchoulen-15-ol; Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018148 5,7(11)-Eudesmadien-14-ol, Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018149 5,7(11)-Eudesmadien-8-ol, Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018150 5,7-Eudesmadien-11-ol, Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018151 5-(3-Undecenyl)-1,3-benzenediol C17H26O2 262.19328 NA MeJP NA NA +MJ018152 5-Pentyl-2-prenyl-1,3-benzenediol; 3-Me ether C17H26O2 262.19328 NA MeJP NA NA +MJ018153 6,10(14)-Guaiadien-4-ol, Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018154 6,9,12,15-Hexadecatetraenoic acid, Me ester C17H26O2 262.19328 NA MeJP NA NA +MJ018155 7(15)-Sinularen-12-ol; Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018156 8-Heptadecene-4,6-diyne-1,10-diol C17H26O2 262.19328 NA MeJP NA NA +MJ018157 9,10-Epoxy-4,6-heptadecadiyn-3-ol C17H26O2 262.19328 NA MeJP NA NA +MJ018158 9-Heptadecene-4,6-diyn-3-one, 9R,10S-Epoxide, 3-alcohol C17H26O2 262.19328 NA MeJP NA NA +MJ018159 9-Heptadecene-4,6-diyne-1,8-diol C17H26O2 262.19328 NA MeJP NA NA +MJ018160 Antibiotic PI 201; Lactone C17H26O2 262.19328 NA MeJP NA NA +MJ018161 Bicyclogermacren-3-ol, Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018162 Coralloidin B C17H26O2 262.19328 NA MeJP NA NA +MJ018163 Cyclosinularan-12-ol; Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018164 Dactylenol; Ac C17H26O2 262.19328 NA MeJP NA NA +MJ018165 Ginsenoyne I C17H26O2 262.19328 NA MeJP NA NA +MJ018166 Hamabiwalactone A; 16,17-Dihydro C17H26O2 262.19328 NA MeJP NA NA +MJ018167 Sesquisabinene; 12-Acetoxy C17H26O2 262.19328 NA MeJP NA NA +MJ018168 Sesquisabinene; 13-Acetoxy C17H26O2 262.19328 NA MeJP NA NA +MJ018169 Tochuinol; 1,4-Dihydro, Ac C17H26O2 262.19328 NA MeJP NA NA +C09860 Cernuine C16H26N2O 262.2045 NA KEGG NA NA +MJ018170 Lycocernuine; Deoxy C16H26N2O 262.204513 NA MeJP NA NA +MJ018171 13-Methyl-7-podocarpen-13-ol; 13?-form C18H30O 262.229665 NA MeJP NA NA +MJ018172 14,15-Dinor-3,11-clerodadien-13-one; ent-form, 11,12-Dihydro C18H30O 262.229665 NA MeJP NA NA +MJ018173 14,15-Dinor-4(18)-cleroden-13-one; ent-form C18H30O 262.229665 NA MeJP NA NA +MJ018174 14,15-Dinor-7-labden-13-one C18H30O 262.229665 NA MeJP NA NA +MJ018175 14,15-Dinor-8(17)-labden-13-one; ent-form C18H30O 262.229665 NA MeJP NA NA +MJ018176 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one C18H30O 262.229665 NA MeJP NA NA +MJ018177 9,12,15-Octadecatrienal C18H30O 262.229665 NA MeJP NA NA +MJ018178 9-Isopropyl-6,12-dimethyl-5,10,12-tridecatrien-2-one C18H30O 262.229665 NA MeJP NA NA +MJ018179 Muquketone C18H30O 262.229665 NA MeJP NA NA +C14245 4-Dodecylphenol C18H30O 262.2297 NA KEGG NA NA +MJ018180 1,10,13,16-Nonadecatetraene, 16,17-Dihydro C19H34 262.266051 NA MeJP NA NA +MJ018181 3,6,9-Nonadecatriene C19H34 262.266051 NA MeJP NA NA +MJ018182 Fichtelite C19H34 262.266051 NA MeJP NA NA +HMDB00582 3,5-Diiodothyronine C15H13I2NO4 262.4467165 MH2+ Inhouse_peptide NA peptide +MJ018183 7-Bromo-2,3-dichloro-1H-indole C8H4BrCl2N 262.890417 NA MeJP NA NA +MJ018184 (4-Hydroxy-3-nitrophenyl)arsonic acid C6H6AsNO6 262.941108 NA MeJP NA NA +C14228 Methyl parathion C8H10NO5PS 263.0017 NA KEGG NA NA +MJ018185 Amfecloral C11H12Cl3N 263.003532 NA MeJP NA NA +MJ018186 8-Chloro-2,3-dihydropyridazino[4,5-b]quinoline-1,4-dione; N5-Oxide C11H6ClN3O3 263.009768 NA MeJP NA NA +MJ018187 1-Ribofuranosyl-1H-pyrrole-2,5-dione; ?-D-form, 3-Chloro C9H10ClNO6 263.019664 NA MeJP NA NA +MJ018188 1-Nitro-2-(phenylthio)benzene; S,S-Dioxide C12H9NO4S 263.025228 NA MeJP NA NA +MJ018189 Olpadronic acid C5H15NO7P2 263.032374 NA MeJP NA NA +MJ018190 7-Chloro-3-(cyclopropylcarbonyl)-4-hydroxy-2(1H)-quinolinone C13H10ClNO3 263.03492 NA MeJP NA NA +MJ018191 Merbarone C11H9N3O3S 263.036461 NA MeJP NA NA +CJneg0478 p-Hydroxyhippuric acid [(M-H)+(HCOONa)]- C10H9NNaO6 263.041125 C18rt(min)=4.85 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0478 p-Hydroxyhippuric acid [(M-H)+(HCOONa)]- C10H9NNaO6 263.041125 C18rt(min)=4.85 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ018192 Miloxacin C12H9NO6 263.042987 NA MeJP NA NA +HMDB01876 Epinephrine sulfate C9H13NO6S 263.046356 NA HMDB2010 NA NA +HMDB02194 N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine C9H13NO6S 263.046356 NA HMDB2010 NA NA +HMDB01876 Epinephrine sulfate C9H13NO6S 263.04636 http://www.hmdb.ca/metabolites/HMDB01876 PFEM_hmdb_metabocards_urine NA urine +HMDB01876 Epinephrine sulfate C9H13NO6S 263.04636 http://www.hmdb.ca/metabolites/HMDB01876 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01876 Epinephrine sulfate C9H13NO6S 263.04636 http://www.hmdb.ca/metabolites/HMDB01876 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01876 Epinephrine sulfate C9H13NO6S 263.04636 http://www.hmdb.ca/metabolites/HMDB01876 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01876 Epinephrine sulfate C9H13NO6S 263.04636 http://www.hmdb.ca/metabolites/HMDB01876 HMDB NA NA +HMDB02194 N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine C9H13NO6S 263.04636 http://www.hmdb.ca/metabolites/HMDB02194 HMDB NA NA +HMDB01876 Epinephrine sulfate C9H13NO6S 263.04636 http://www.hmdb.ca/metabolites/HMDB01876 PFEM_hmdb_metabocards_blood NA blood +HMDB01876 Epinephrine sulfate C9H13NO6S 263.04636 HMDB01876 PFEM_hmdb_metabocards_official NA NA +HMDB02194 N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine C9H13NO6S 263.04636 HMDB02194 PFEM_hmdb_metabocards_official NA NA +CJneg0479 Isoferulic acid [(M-H)+(HCOONa)]- (13C) C1013CH10NaO6 263.049225 C18rt(min)=6.64 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0479 Isoferulic acid [(M-H)+(HCOONa)]- (13C) C1013CH10NaO6 263.049225 C18rt(min)=6.64 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C07140 Ticlopidine C14H14ClNS 263.0535 NA KEGG NA NA +MJ018193 Ticlopidine C14H14ClNS 263.053547 NA MeJP NA NA +MJ018194 N-(2-Phenylethyl)-N'-2-thiazolylthiourea C12H13N3S2 263.055088 NA MeJP NA NA +MJ018195 Aristolactam II C16H9NO3 263.058243 NA MeJP NA NA +MJ018196 Cepharadione B; 1-Demethoxy, O2,N-di-de-Me C16H9NO3 263.058243 NA MeJP NA NA +MJ018197 Hippadine C16H9NO3 263.058243 NA MeJP NA NA +MJ018198 Liriodendronine C16H9NO3 263.058243 NA MeJP NA NA +MJ018199 Ascorbalamic acid C9H13NO8 263.064116 NA MeJP NA NA +MJ018200 Clopirac C14H14ClNO2 263.071306 NA MeJP NA NA +MJ018201 Gemcitabine C9H11F2N3O4 263.071762 NA MeJP NA NA +C07650 Gemcitabine C9H11F2N3O4 263.0718 NA KEGG NA NA +MJ018202 1,5-Dimethyl[1]benzothieno[2,3-g]isoquinoline C17H13NS 263.07687 NA MeJP NA NA +MJ018203 2,3,4,7,8-Quinolinepentol; 2,3-Methylene, 4,7,8-tri-Me ether C13H13NO5 263.079372 NA MeJP NA NA +MJ018204 Glycocitridine C13H13NO5 263.079372 NA MeJP NA NA +MJ018205 Dimethylthiambutene C14H17NS2 263.08024 NA MeJP NA NA +C12798 Tulobuterol hydrochloride C12H18ClNO 263.0844 NA KEGG NA NA +C12799 Transferred to D01363 C12H18ClNO 263.0844 NA KEGG NA NA +C12800 Transferred to D01364 C12H18ClNO 263.0844 NA KEGG NA NA +C12801 Transferred to D01365 C12H18ClNO 263.0844 NA KEGG NA NA +C12802 Transferred to D01366 C12H18ClNO 263.0844 NA KEGG NA NA +C12803 Transferred to D01367 C12H18ClNO 263.0844 NA KEGG NA NA +C12804 Transferred to D01368 C12H18ClNO 263.0844 NA KEGG NA NA +C12805 Transferred to D01369 C12H18ClNO 263.0844 NA KEGG NA NA +C12806 Transferred to D01370 C12H18ClNO 263.0844 NA KEGG NA NA +C12807 Transferred to D01371 C12H18ClNO 263.0844 NA KEGG NA NA +C12808 Transferred to D01372 C12H18ClNO 263.0844 NA KEGG NA NA +C12809 Transferred to D02397 C12H18ClNO 263.0844 NA KEGG NA NA +C12810 Transferred to D01373 C12H18ClNO 263.0844 NA KEGG NA NA +MJ018206 4-Nitrotryptophan, N-Me C12H13N3O4 263.090605 NA MeJP NA NA +MJ018207 Olaquindox C12H13N3O4 263.090605 NA MeJP NA NA +PJ000121 NM C9H17N3O4S 263.094 NA PeJP NA NA +MJ018208 Anonaine, 6a,7-Didehydro C17H13NO2 263.094628 NA MeJP NA NA +MJ018209 Triclisine C17H13NO2 263.094628 NA MeJP NA NA +MJ018210 Tiflorex C12H16F3NS 263.095554 NA MeJP NA NA +MJ018211 Thiamine aldehyde C12H15N4OS 263.096656 NA MeJP NA NA +MetaCyc02371 thiamine-aldehyde [] C12H15N4O1S1 263.096657 NA metacyc NA NA +C05856 Thiamine aldehyde C12H15N4OS 263.0967 NA KEGG NA NA +C05857 (Phosphoglyceryl)n-(Phosphoglyceryl)3-N-acetyl-beta-D-mannosaminyl- C80H139N2O32P5 263.0967 NA KEGG NA NA +C05858 (Phosphoglycerylglycosyl)n-(Phosphoglyceryl)3-N-acetyl-beta-D- C80H139N2O32P5 263.0967 NA KEGG NA NA +C05859 Dehydrodolichol diphosphate C20H36O7P2 263.0967 NA KEGG NA NA +C05860 beta-D-Mannosyldiacetylchitobiosyldiphosphodolichol C42H74N2O22P2 263.0967 NA KEGG NA NA +C05861 alpha-D-Mannosyl-beta-D-mannosyl- C48H84N2O27P2 263.0967 NA KEGG NA NA +C05864 (alpha-D-Mannosyl)4-beta-D-mannosyl- C66H114N2O42P2 263.0967 NA KEGG NA NA +C05868 (alpha-D-Mannosyl)8-beta-D-mannosyl- C90H154N2O62P2 263.0967 NA KEGG NA NA +C05869 (alpha-D-Mannosyl)9-beta-D-mannosyl- C90H154N2O62P2 263.0967 NA KEGG NA NA +C05883 Protein C90H154N2O62P2 263.0967 NA KEGG NA NA +MJ018212 Neplanocin A C11H13N5O3 263.101839 NA MeJP NA NA +MJ018213 Neplanocin F C11H13N5O3 263.101839 NA MeJP NA NA +PJ000122 GST C9H17N3O6 263.1117 NA PeJP NA NA +MJ018214 Flunamine C15H15F2NO 263.11217 NA MeJP NA NA +MJ018215 Echiguanine A C10H13N7O2 263.113072 NA MeJP NA NA +2847 NA YPFT 263.115 MH2+ Inhouse_peptide NA peptide +MJ018216 1,2,3,4-Tetrahydro-5,6,7,8-tetramethoxy-1-methylisoquinoline; 1,2,3,4-Tetradehydro C14H17NO4 263.115758 NA MeJP NA NA +MJ018217 Anhalonine, N-Ac C14H17NO4 263.115758 NA MeJP NA NA +MJ018218 Campedine C14H17NO4 263.115758 NA MeJP NA NA +MJ018219 Peyoglutam C14H17NO4 263.115758 NA MeJP NA NA +MJ018220 Valine, N-(4-Hydroxycinnamoyl) C14H17NO4 263.115758 NA MeJP NA NA +MetaCyc02372 N(α)-benzyloxycarbonyl-L-leucine [] C14H17N1O4 263.115758 NA metacyc NA NA +C16594 7-Mercaptoheptanoylthreonine C11H21NO4S 263.1191 NA KEGG NA NA +MJ018221 1-Isothiocyanato-4,5,6,7-decanetetrol C11H21NO4S 263.119128 NA MeJP NA NA +MetaCyc02373 7-mercaptoheptanoylthreonine [] C11H21N1O4S1 263.119129 NA metacyc NA NA +MJ018222 2,8-Decadiene-4,6-diynoic acid, 2-Phenylethylamide C18H17NO 263.131014 NA MeJP NA NA +MJ018223 2-Decene-6,8-diynoic acid, 2-Phenylethenylamide, (E-) C18H17NO 263.131014 NA MeJP NA NA +MJ018224 Eustifoline A C18H17NO 263.131014 NA MeJP NA NA +MJ018225 Girinimbine C18H17NO 263.131014 NA MeJP NA NA +MJ018226 Lansamide I C18H17NO 263.131014 NA MeJP NA NA +MJ018227 13-Amino-1,4,5,6,7,8-hexahydro-8-methyl-2,8-methano-2H-3-benzothiecin-10-ol C15H21NOS 263.134384 NA MeJP NA NA +C14571 Dimepiperate C15H21NOS 263.1344 NA KEGG NA NA +MJ018228 Brevicolline, Didehydro C17H17N3 263.142247 NA MeJP NA NA +MJ018229 Cloquinozine C16H22ClN 263.144077 NA MeJP NA NA +MJ018230 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, Di-Me ether, 2-methylpropylamide C15H21NO3 263.152143 NA MeJP NA NA +MJ018231 Alkaloid S-F C15H21NO3 263.152143 NA MeJP NA NA +MJ018232 Hydroxypethidine C15H21NO3 263.152143 NA MeJP NA NA +MJ018233 Metostilenol C15H21NO3 263.152143 NA MeJP NA NA +MJ018234 Pleurospermine; Me ether C15H21NO3 263.152143 NA MeJP NA NA +MJ018235 Pyridoxatin C15H21NO3 263.152143 NA MeJP NA NA +MJ018236 1-(2-Dimethylaminoethyl)-1-phenyl-1H-indene C19H21N 263.167399 NA MeJP NA NA +MJ018237 3-(Diphenylmethylene)pyrrolidine; N-Et C19H21N 263.167399 NA MeJP NA NA +MJ018238 Nortriptyline C19H21N 263.167399 NA MeJP NA NA +MJ018239 Protriptyline C19H21N 263.167399 NA MeJP NA NA +C07274 Nortriptyline C19H21N 263.1674 NA KEGG NA NA +C07408 Protriptyline C19H21N 263.1674 NA KEGG NA NA +C16660 2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline C19H21N 263.1674 NA KEGG NA NA +MJ018240 Melperone C16H22FNO 263.168542 NA MeJP NA NA +MJ018241 1-Isothiocyanato-4-muurolene C16H25NS 263.17077 NA MeJP NA NA +MJ018242 1-Isothiocyanatoaromadendrane C16H25NS 263.17077 NA MeJP NA NA +MJ018243 10-Isocyano-6-guaiene; 10-Isothiocyanate C16H25NS 263.17077 NA MeJP NA NA +MJ018244 10-Isothiocyanato-4-amorphene C16H25NS 263.17077 NA MeJP NA NA +MJ018245 11-Formamido-5-eudesmene, Isothiocyanate C16H25NS 263.17077 NA MeJP NA NA +MJ018246 12-Isothiocyanato-5-eudesmene C16H25NS 263.17077 NA MeJP NA NA +MJ018247 2-Isothiocyanato-6-axene C16H25NS 263.17077 NA MeJP NA NA +MJ018248 2-Isothiocyanatotrachyopsane C16H25NS 263.17077 NA MeJP NA NA +MJ018249 2-Thiocyanatoneopupukaenane C16H25NS 263.17077 NA MeJP NA NA +MJ018250 2-Thiocyanatopupukeanane C16H25NS 263.17077 NA MeJP NA NA +MJ018251 4-Isothiocyanato-1-cadinene C16H25NS 263.17077 NA MeJP NA NA +MJ018252 4-Isothiocyanato-11-eudesmene C16H25NS 263.17077 NA MeJP NA NA +MJ018253 4-Isothiocyanato-9-amorphene C16H25NS 263.17077 NA MeJP NA NA +MJ018254 4-Thiocyanato-9-cadinene C16H25NS 263.17077 NA MeJP NA NA +MJ018255 4-Thiocyanatoneopupukaenane C16H25NS 263.17077 NA MeJP NA NA +MJ018256 6-Isodaucene 14-isonitrile; Isothiocyanate C16H25NS 263.17077 NA MeJP NA NA +MJ018257 6-Isothiocyanato-4(15)-eudesmene C16H25NS 263.17077 NA MeJP NA NA +MJ018258 7-Isothiocyanato-11-oppositene C16H25NS 263.17077 NA MeJP NA NA +MJ018259 Acanthisonitrile 3; Isothiocyanate C16H25NS 263.17077 NA MeJP NA NA +MJ018260 Agelasidine A C16H25NS 263.17077 NA MeJP NA NA +MJ018261 Aromadendrane 1-isonitrile, Isothiocyanate C16H25NS 263.17077 NA MeJP NA NA +MJ018262 Asmarine B C16H25NS 263.17077 NA MeJP NA NA +MJ018263 Axamide 1; Isothiocyanate C16H25NS 263.17077 NA MeJP NA NA +MJ018264 Axamide 2, 1-Epimer, isothiocyanate C16H25NS 263.17077 NA MeJP NA NA +MJ018265 Axamide 2, Isothiocyanate C16H25NS 263.17077 NA MeJP NA NA +MJ018266 Axamide 2, 1-Epimer, isothiocyanate C16H25NS 263.17077 NA MeJP NA NA +MJ018267 Axamide 3; Isothiocyanate C16H25NS 263.17077 NA MeJP NA NA +MJ018268 Cavernothiocyanate C16H25NS 263.17077 NA MeJP NA NA +MJ018269 Epipolasin A C16H25NS 263.17077 NA MeJP NA NA +MJ018270 Epipolasin B C16H25NS 263.17077 NA MeJP NA NA +MJ018271 Gacyclidine C16H25NS 263.17077 NA MeJP NA NA +MJ018272 Theonelline isothiocyanate C16H25NS 263.17077 NA MeJP NA NA +C17007 Axisothiocyanate 3 C16H25NS 263.1708 NA KEGG NA NA +MJ018273 2-(3,6-Dihydroxyheptyl)-3,4-dihydroxy-5-hydroxymethylpyrrolidine C12H25NO5 263.173272 NA MeJP NA NA +HMDB13132 Hydroxyvalerylcarnitine C12H25NO5 263.173279 NA HMDB2010 NA NA +C13729 Pinacidil C13H19N5 263.1746 NA KEGG NA NA +C07153 Tramadol C16H25NO2 263.1885 NA KEGG NA NA +C07154 Transferred to D00383 C16H25NO2 263.1885 NA KEGG NA NA +C09851 Annofoline C16H25NO2 263.1885 NA KEGG NA NA +C09864 Fawcettimine C16H25NO2 263.1885 NA KEGG NA NA +C09943 Dendrobine C16H25NO2 263.1885 NA KEGG NA NA +MJ018274 2,4,8,10-Dodecatetraenoic acid; N-2-Hydroxy-2-methylpropylamide C16H25NO2 263.188529 NA MeJP NA NA +MJ018275 2,6,8,10-Dodecatetraenoic acid, 2-Hydroxy-2-methylpropylamide C16H25NO2 263.188529 NA MeJP NA NA +MJ018276 3,6-Epoxydodecanoic acid pyrrolide C16H25NO2 263.188529 NA MeJP NA NA +MJ018277 3-Formamido-7(14),9-bisaboladien-8-ol; 8-Ketone C16H25NO2 263.188529 NA MeJP NA NA +MJ018278 Asaramide C16H25NO2 263.188529 NA MeJP NA NA +MJ018279 Butetamate C16H25NO2 263.188529 NA MeJP NA NA +MJ018280 Cyclexanone C16H25NO2 263.188529 NA MeJP NA NA +MJ018281 Dendrobine C16H25NO2 263.188529 NA MeJP NA NA +MJ018282 Fawcettiine, O-De-Ac, 5-ketone C16H25NO2 263.188529 NA MeJP NA NA +MJ018283 Fawcettiine, O-De-Ac, 8-ketone C16H25NO2 263.188529 NA MeJP NA NA +MJ018284 Fawcettimine; Natural-form C16H25NO2 263.188529 NA MeJP NA NA +MJ018285 Flabelliformine C16H25NO2 263.188529 NA MeJP NA NA +MJ018286 Lucidioline C16H25NO2 263.188529 NA MeJP NA NA +MJ018287 Lycoclavine; O-De-Ac, 5-ketone C16H25NO2 263.188529 NA MeJP NA NA +MJ018288 Lycodoline C16H25NO2 263.188529 NA MeJP NA NA +MJ018289 Lycofoline C16H25NO2 263.188529 NA MeJP NA NA +MJ018290 Lyconnotinol C16H25NO2 263.188529 NA MeJP NA NA +MJ018291 Lycopecurine; 2?-Hydroxy C16H25NO2 263.188529 NA MeJP NA NA +MJ018292 Lycoserramine C16H25NO2 263.188529 NA MeJP NA NA +MJ018293 Serratinine, 8-Deoxy C16H25NO2 263.188529 NA MeJP NA NA +MJ018294 Tramadol C16H25NO2 263.188529 NA MeJP NA NA +MJ018295 Caproxamine C15H25N3O 263.199762 NA MeJP NA NA +MJ018296 Ptilocaulin, 8b-Hydroxy C15H25N3O 263.199762 NA MeJP NA NA +MJ018297 Ptilocaulin, ?8a,8b-Isomer, 8?-hydroxy, 3a,5a-diepimer, C15H25N3O 263.199762 NA MeJP NA NA +MJ018298 Recainam C15H25N3O 263.199762 NA MeJP NA NA +MJ018299 5-(2-Decenyl)indolizidine C18H33N 263.2613 NA MeJP NA NA +MJ018300 Villatamine A; 3',4'E, 7',8'-Tetrahydro C18H33N 263.2613 NA MeJP NA NA +3621 NA RKPK 263.6705 MH2+ Inhouse_peptide NA peptide +MetaCyc02374 Fe3S3 iron-sulfur center [Fe3S3;Fe3S3 center;Fe3S3 cluster;Fe3S3 iron-sulfur cluster;] S3FE3 263.721038 NA metacyc NA NA +MJ018301 Bromoiodoacetic acid C2H2BrIO2 263.828285 NA MeJP NA NA +MJ018302 2,6-Dibromo-1,4-benzoquinone C6H2Br2O2 263.842154 NA MeJP NA NA +C02575 Pentachlorophenol C6HCl5O 263.847 NA KEGG NA NA +MJ018303 Pentachlorophenol C6HCl5O 263.847003 NA MeJP NA NA +MetaCyc02375 pentachlorophenol [PCP;] C6H1O1CL5 263.847003 NA metacyc NA NA +MJ018304 2,4-Dibromophenol; Me ether C7H6Br2O 263.87854 NA MeJP NA NA +MJ018305 2,6-Dibromo-4-methylphenol C7H6Br2O 263.87854 NA MeJP NA NA +C11037 Chlorothalonil C8Cl4N2 263.8816 NA KEGG NA NA +MJ018306 2-Bromo-6-chloro-1,4-benzenediol; 4-Ac C8H6BrClO3 263.918884 NA MeJP NA NA +MJ018307 2,3,5,7,9-Pentathiadecane 2,2-dioxide C5H12O2S5 263.944083 NA MeJP NA NA +MJ018308 Penthrichloral C7H11Cl3O4 263.972291 NA MeJP NA NA +HMDB01464 1-Methylnicotinamide iodide C7H9IN2O 263.97595 http://www.hmdb.ca/metabolites/HMDB01464 HMDB NA NA +HMDB01464 1-Methylnicotinamide iodide C7H9IN2O 263.97595 HMDB01464 PFEM_hmdb_metabocards_official NA NA +HMDB01464 1-Methylnicotinamide iodide C7H9IN2O 263.975952 NA HMDB2010 NA NA +MJ018309 Pralidoxime(1+); Iodide C7H9IN2O 263.975956 NA MeJP NA NA +MJ018310 6-Bromo-2-chloro-1,4-epoxy-3(8)-ochtodene C10H14BrClO 263.991655 NA MeJP NA NA +MJ018311 Chondrocole A C10H14BrClO 263.991655 NA MeJP NA NA +MJ018312 3,4,5-Trihydroxybenzoic acid; 3-Me ether, 5-O-sulfate C8H8O8S 263.993987 NA MeJP NA NA +MJ018313 Cryptosporiopsin C10H10Cl2O4 263.995614 NA MeJP NA NA +MJ018314 Lachnumol A; 1-Ketone C10H10Cl2O4 263.995614 NA MeJP NA NA +MJ018315 Beckerelide; 4-Bromo C9H13BrO4 263.999721 NA MeJP NA NA +MJ018316 Chloralodol C8H15Cl3O3 264.008677 NA MeJP NA NA +MJ018317 5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocin C10H16S4 264.013483 NA MeJP NA NA +MJ018318 3-Acetyl-5-[(4-fluorophenyl)methylene]-4-hydroxy-2(5H)-thiophenone C13H9FO3S 264.025643 NA MeJP NA NA +MJ018319 2-Acetyl-3,5,6,8-tetrahydroxy-1,4-naphthoquinone C12H8O7 264.027002 NA MeJP NA NA +MJ018320 3-Acetyl-2,5,6,7-tetrahydroxy-1,4-naphthoquinone C12H8O7 264.027002 NA MeJP NA NA +MJ018321 5-Acetyl-5'-(1-propynyl)-2,2'-bithiophene; 2''-Hydroxy, 1''-alcohol C13H12O2S2 264.027871 NA MeJP NA NA +HMDB03332 3-Methoxy-4-Hydroxyphenylglycol Sulfate C9H12O7S 264.03036 http://www.hmdb.ca/metabolites/HMDB03332 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00559 3-Methoxy-4-hydroxyphenylethyleneglycol sulfate C9H12O7S 264.03036 http://www.hmdb.ca/metabolites/HMDB00559 HMDB NA NA +HMDB03332 3-Methoxy-4-Hydroxyphenylglycol Sulfate C9H12O7S 264.03036 http://www.hmdb.ca/metabolites/HMDB03332 HMDB NA NA +HMDB03332 3-Methoxy-4-Hydroxyphenylglycol Sulfate C9H12O7S 264.03036 http://www.hmdb.ca/metabolites/HMDB03332 PFEM_hmdb_metabocards_blood NA blood +HMDB00559 3-Methoxy-4-hydroxyphenylethyleneglycol sulfate C9H12O7S 264.03036 HMDB00559 PFEM_hmdb_metabocards_official NA NA +HMDB03332 3-Methoxy-4-Hydroxyphenylglycol Sulfate C9H12O7S 264.03036 HMDB03332 PFEM_hmdb_metabocards_official NA NA +HMDB00559 3-Methoxy-4-hydroxyphenylethyleneglycol sulfate C9H12O7S 264.030365 NA HMDB2010 NA NA +HMDB03332 3-Methoxy-4-Hydroxyphenylglycol sulfate C9H12O7S 264.030365 NA HMDB2010 NA NA +MJ018322 Raluridine C9H10ClFN2O4 264.031312 NA MeJP NA NA +MJ018323 6-(1-Methyl-1,2,3-triazol-4-ylmethylene)penem-3-carboxylic acid C10H8N4O3S 264.03171 NA MeJP NA NA +MJ018324 8-Bromo-2,6-dimethyl-3,7-octadiene-2,5,6-triol C10H17BrO3 264.036107 NA MeJP NA NA +MJ018325 Pantofuranoid D C10H17BrO3 264.036107 NA MeJP NA NA +MJ018326 Pantoisofuranoid A C10H17BrO3 264.036107 NA MeJP NA NA +MJ018327 Ulbactin E C12H12N2OS2 264.039104 NA MeJP NA NA +MJ018328 Frutinone A C16H8O4 264.042258 NA MeJP NA NA +C09008 Frutinone A C16H8O4 264.0423 NA KEGG NA NA +CJneg0481 p-Hydroxyhippuric acid [(M-H)+(HCOONa)]- (13C) C913CH9NNaO6 264.044525 C18rt(min)=4.85 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0481 p-Hydroxyhippuric acid [(M-H)+(HCOONa)]- (13C) C913CH9NNaO6 264.044525 C18rt(min)=4.85 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +C14799 (1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2- C13H12O4S 264.0456 NA KEGG NA NA +CJneg0480 1,7-dimethyluric acid [(M-H)+(HCOONa)]- C8H8N4NaO5 264.047625 C18rt(min)=4.96 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0480 1,7-dimethyluric acid [(M-H)+(HCOONa)]- C8H8N4NaO5 264.047625 C18rt(min)=4.96 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ018329 Necatorin C15H8N2O3 264.053492 NA MeJP NA NA +MJ018330 Necatorone C15H8N2O3 264.053492 NA MeJP NA NA +MJ018331 Lonaprofen C14H13ClO3 264.055321 NA MeJP NA NA +MJ018332 2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthoquinone; 2,5-Di-Me ether C13H12O6 264.063388 NA MeJP NA NA +MJ018333 2-Ethyl-3,5,6,8-tetrahydroxy-1,4-naphthoquinone; 6-Me ether C13H12O6 264.063388 NA MeJP NA NA +MJ018334 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 5,6-Di-Me ether, 7-Ac C13H12O6 264.063388 NA MeJP NA NA +MJ018335 Arthrinone; 1-Deoxy C13H12O6 264.063388 NA MeJP NA NA +MJ018336 Pereflorin B; 6-Deoxy C13H12O6 264.063388 NA MeJP NA NA +C13144 Ozagrel hydrochloride C13H12N2O2 264.0666 NA KEGG NA NA +C13146 Transferred to D01685 C13H12N2O2 264.0666 NA KEGG NA NA +C13147 Transferred to D01686 C13H12N2O2 264.0666 NA KEGG NA NA +C13148 Transferred to D01687 C13H12N2O2 264.0666 NA KEGG NA NA +C13149 Transferred to D01688 C13H12N2O2 264.0666 NA KEGG NA NA +C13150 Transferred to D01689 C13H12N2O2 264.0666 NA KEGG NA NA +C13151 Transferred to D01690 C13H12N2O2 264.0666 NA KEGG NA NA +C13152 Transferred to D01691 C13H12N2O2 264.0666 NA KEGG NA NA +C13153 Transferred to D01692 C13H12N2O2 264.0666 NA KEGG NA NA +MJ018337 Sulfamerazine C11H12N4O2S 264.068096 NA MeJP NA NA +MJ018338 Sulfaperin C11H12N4O2S 264.068096 NA MeJP NA NA +MJ018339 Proferrorosamine B C12H12N2O5 264.074621 NA MeJP NA NA +MJ018340 Temodox C12H12N2O5 264.074621 NA MeJP NA NA +MJ018341 Cystathionine, N2'-Ac C9H16N2O5S 264.077992 NA MeJP NA NA +MJ018342 N-?-Glutamylcysteine; L-L-form, S-Me C9H16N2O5S 264.077992 NA MeJP NA NA +HMDB02381 N-Acetylcystathionine C9H16N2O5S 264.078 http://www.hmdb.ca/metabolites/HMDB02381 HMDB NA NA +HMDB02381 N-Acetylcystathionine C9H16N2O5S 264.078 HMDB02381 PFEM_hmdb_metabocards_official NA NA +PJ000123 DM C9H16N2O5S 264.078 NA PeJP NA NA +HMDB02381 N-Acetylcystathionine C9H16N2O5S 264.078003 NA HMDB2010 NA NA +FL1C19NF0001 2'-Hydroxyfurano[2'',3'':4',3']chalcone C17H12O3 264.07864 112606-78-7 knapsack NA NA +MJ018343 1-(4-Hydroxy-5-benzofuranyl)-3-phenyl-2-propen-1-one C17H12O3 264.078644 NA MeJP NA NA +MJ018344 3-Benzyl-4-phenyl-2,5-furandione C17H12O3 264.078644 NA MeJP NA NA +MJ018345 Salvinolactone C17H12O3 264.078644 NA MeJP NA NA +MJ018346 Tanshinlactone C17H12O3 264.078644 NA MeJP NA NA +MJ018347 Sulfiram C10H20N2S3 264.07886 NA MeJP NA NA +MJ018348 Dihydro-4-hydroxy-2(3H)-furanone, O-?-D-Glucopyranoside C10H16O8 264.084517 NA MeJP NA NA +MJ018349 6-(1-Oxopropyl)-2,4(1H,3H)-pteridinedione; 1,3-Di-Me, 3'-hydroxy C11H12N4O4 264.085854 NA MeJP NA NA +MJ018350 6-(1-Oxopropyl)-2,4(1H,3H)-pteridinedione; 3-Me, 3'-methoxy C11H12N4O4 264.085854 NA MeJP NA NA +MJ018351 Neplanocin D C11H12N4O4 264.085854 NA MeJP NA NA +MJ018352 Eupolauramine C16H12N2O2 264.089877 NA MeJP NA NA +MJ018353 Luotonin C C16H12N2O2 264.089877 NA MeJP NA NA +MJ018354 Nauclefidine C16H12N2O2 264.089877 NA MeJP NA NA +MJ018355 Perlolyrine C16H12N2O2 264.089877 NA MeJP NA NA +MJ018356 Phthalazino[2,3-b]phthalazine-5,12(7H,14H)-dione C16H12N2O2 264.089877 NA MeJP NA NA +C09231 Perlolyrine C16H12N2O2 264.0899 NA KEGG NA NA +MJ018357 Thialbarbital C13H16N2O2S 264.093248 NA MeJP NA NA +MJ018358 1-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1,4'-di-Ac C14H16O5 264.099773 NA MeJP NA NA +MJ018359 13-Hydroxyripariochromene A C14H16O5 264.099773 NA MeJP NA NA +MJ018360 2-Benzyltetrahydro-3-hydroxy-5-oxo-3-furancarboxylic acid, Et ester C14H16O5 264.099773 NA MeJP NA NA +MJ018361 3,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(4-Hydroxy-3-methylbutyl) C14H16O5 264.099773 NA MeJP NA NA +MJ018362 4,6,7-Trihydroxy-3,5-dimethyl-2H-1-benzopyran-2-one; Tri-Me ether C14H16O5 264.099773 NA MeJP NA NA +MJ018363 4,7,8-Trihydroxy-3,5-dimethyl-2H-1-benzopyran-2-one; Tri-Me ether C14H16O5 264.099773 NA MeJP NA NA +MJ018364 5-Acetyl-2,3-dihydro-4,6-dihydroxy-2-(2-hydroxyisopropyl)benzofuran, 2,3-Didehydro, 4-Me ether C14H16O5 264.099773 NA MeJP NA NA +MJ018365 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(4-Hydroxy-2-methylbutyl) C14H16O5 264.099773 NA MeJP NA NA +MJ018366 7-(1-Hydroxyethyl)-6-methoxy-3-isopropylidene-1,4-benzodioxin-2(3H)-one C14H16O5 264.099773 NA MeJP NA NA +MJ018367 7-Hydroxy-2H-1-benzopyran-2-one; O-(2,3-Dihydroxy-3-methylbutyl) C14H16O5 264.099773 NA MeJP NA NA +MJ018368 7-[(3-Methyl-2-butenyl)oxy]-2H-1-benzopyran-2-one; 2',3'-Dihydro, 2'R,3'-dihydroxy C14H16O5 264.099773 NA MeJP NA NA +MJ018369 8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one C14H16O5 264.099773 NA MeJP NA NA +MJ018370 Allamcin; Me ether C14H16O5 264.099773 NA MeJP NA NA +MJ018371 Deliquinone; 12-Carboxylic acid C14H16O5 264.099773 NA MeJP NA NA +MJ018372 Epoxysorbicillinol C14H16O5 264.099773 NA MeJP NA NA +MJ018373 Mikrolin; Dechloro C14H16O5 264.099773 NA MeJP NA NA +MJ018374 Oxosorbicillinol C14H16O5 264.099773 NA MeJP NA NA +MJ018375 Peucedanol C14H16O5 264.099773 NA MeJP NA NA +MJ018376 Remirol, 7-Hydroxy C14H16O5 264.099773 NA MeJP NA NA +MJ018377 Salicifoliol; 7-Epimer, Me ether C14H16O5 264.099773 NA MeJP NA NA +MJ018378 Scytalol D C14H16O5 264.099773 NA MeJP NA NA +C10427 1'-Acetoxyeugenol acetate C14H16O5 264.0998 NA KEGG NA NA +C17226 2-(6'-Methylthio)hexylmalic acid C11H20O5S 264.1031 NA KEGG NA NA +C17227 3-(6'-Methylthio)hexylmalic acid C11H20O5S 264.1031 NA KEGG NA NA +MJ018379 Thiamine C12H17N4OS(+) 264.104481 NA MeJP NA NA +3817 NA SYYP 264.105 MH2+ Inhouse_peptide NA peptide +MJ018380 Bluensidine C8H16N4O6 264.106984 NA MeJP NA NA +C17967 Bluensidine C8H16N4O6 264.107 NA KEGG NA NA +CJpos0661 Phenylacetylglutamine [(M+H)]+ C13H17N2O4 264.110475 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0661 Phenylacetylglutamine [(M+H)]+ C13H17N2O4 264.110475 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +HMDB06344 Alpha-N-Phenylacetyl-L-glutamine C13H16N2O4 264.11099 Long chain acyl carnitines ;SYN:Linoleic acid carnitine; Linoleoyl carnitine; 3-carboxy-N,N,N-trimethyl-2-[[(9Z,12Z)-1-oxo-9,12-octadecadienyl]oxy]-1-Propanaminium; 3-carboxy-N,N,N-trimethyl-2-[(1-oxo-9,12-octadecadienyl)oxy]-1-Propanaminium; alpha-Linoleoylcarnitine; Decadienylcarnitine; 9,12-octadecadienylcarnitine; 9,12-octadecadienoylcarnitine; Octadecadienyl-L-carnitineH2Blood; Urine Inhouse_peptide NA peptide +HMDB04259 Acetyl-N-formyl-5-methoxykynurenamine C13H16N2O4 264.110992 NA HMDB2010 NA NA +HMDB06344 Alpha-N-Phenylacetyl-L-glutamine C13H16N2O4 264.110992 NA HMDB2010 NA NA +C04148 alpha-N-Phenylacetyl-L-glutamine C13H16N2O4 264.111 NA KEGG NA NA +C04149 alpha-Tubulin N6-acetyl-L-lysine C9H15N3O3R2 264.111 NA KEGG NA NA +C05597 Phenylacetylglutamine C13H16N2O4 264.111 NA KEGG NA NA +C05642 Formyl-N-acetyl-5-methoxykynurenamine C13H16N2O4 264.111 NA KEGG NA NA +MJ018381 Bursatellin C13H16N2O4 264.111007 NA MeJP NA NA +MJ018382 Domipizone C13H16N2O4 264.111007 NA MeJP NA NA +MetaCyc02376 α-N-phenylacetyl-L-glutamine [] C13H16N2O4 264.111007 NA metacyc NA NA +HMDB04259 Acetyl-N-formyl-5-methoxykynurenamine C13H16N2O4 264.11102 http://www.hmdb.ca/metabolites/HMDB04259 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06344 alpha-N-Phenylacetyl-L-glutamine C13H16N2O4 264.11102 http://www.hmdb.ca/metabolites/HMDB06344 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04259 Acetyl-N-formyl-5-methoxykynurenamine C13H16N2O4 264.11102 http://www.hmdb.ca/metabolites/HMDB04259 HMDB NA NA +HMDB06344 alpha-N-Phenylacetyl-L-glutamine C13H16N2O4 264.11102 http://www.hmdb.ca/metabolites/HMDB06344 HMDB NA NA +HMDB04259 Acetyl-N-formyl-5-methoxykynurenamine C13H16N2O4 264.11102 http://www.hmdb.ca/metabolites/HMDB04259 PFEM_hmdb_metabocards_blood NA blood +HMDB06344 alpha-N-Phenylacetyl-L-glutamine C13H16N2O4 264.11102 http://www.hmdb.ca/metabolites/HMDB06344 PFEM_hmdb_metabocards_blood NA blood +HMDB04259 Acetyl-N-formyl-5-methoxykynurenamine C13H16N2O4 264.11102 HMDB04259 PFEM_hmdb_metabocards_official NA NA +HMDB06344 alpha-N-Phenylacetyl-L-glutamine C13H16N2O4 264.11102 HMDB06344 PFEM_hmdb_metabocards_official NA NA +CJneg0482 Phenylacetylglutamine [(M-H)]- C13H15N2O4 264.111525 C18rt(min)=5.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0483 N-Acetyl-5-hydroxytryptamine (N-Acetyl-serotonine) [(M-H)+(HCOOH)]- C13H15N2O4 264.111525 C18rt(min)=5.64 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0482 Phenylacetylglutamine [(M-H)]- C13H15N2O4 264.111525 C18rt(min)=5.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0483 N-Acetyl-5-hydroxytryptamine (N-Acetyl-serotonine) [(M-H)+(HCOOH)]- C13H15N2O4 264.111525 C18rt(min)=5.64 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ018383 2,4-Undecadiene-8,10-diynoic acid, 4,6-Heptadiynyl ester C18H16O2 264.115029 NA MeJP NA NA +MJ018384 2,7-Dihydroxy-1,6-dimethyl-5-vinylphenanthrene C18H16O2 264.115029 NA MeJP NA NA +MJ018385 2-(4-Hydroxyphenyl)-5-(1-propenyl)benzofuran; Me ether C18H16O2 264.115029 NA MeJP NA NA +MJ018386 2-Isopropyl-8-methyl-3,4-phenanthraquinone C18H16O2 264.115029 NA MeJP NA NA +MJ018387 3-Phenyl-2-propenoic acid, Cinnamyl ester C18H16O2 264.115029 NA MeJP NA NA +MJ018388 7-Isopropyl-1-methylphenanthraquinone C18H16O2 264.115029 NA MeJP NA NA +MJ018389 Danshenxinkun B; 12-Deoxy C18H16O2 264.115029 NA MeJP NA NA +MJ018390 Eupomatenoid 6 C18H16O2 264.115029 NA MeJP NA NA +MJ018391 Purpureamethide C18H16O2 264.115029 NA MeJP NA NA +MJ018392 Xerulin; 16,17-Dihydro C18H16O2 264.115029 NA MeJP NA NA +MJ018393 2-Methyl-2-butene-1,4-diol, 1-O-?-D-Glucopyranoside C11H20O7 264.120902 NA MeJP NA NA +MJ018394 2-Methyl-2-butene-1,4-diol, 4-O-?-D-Glucopyranoside C11H20O7 264.120902 NA MeJP NA NA +MJ018395 4-Hydroxy-2-pentanone, 4-O-?-D-Glucopyranoside C11H20O7 264.120902 NA MeJP NA NA +MJ018396 Eccremocarpol B C11H20O7 264.120902 NA MeJP NA NA +MJ018397 Iprazochrome C12H16N4O3 264.12224 NA MeJP NA NA +21 Hemoglobin YTVF 264.1235 MH2+ Inhouse_peptide NA peptide +MJ018398 Etaqualone C17H16N2O 264.126263 NA MeJP NA NA +MJ018399 Nictindole C17H16N2O 264.126263 NA MeJP NA NA +MJ018400 16-Chloro-13,15-hexadecadiene-9,11-diyn-3-ol C16H21ClO 264.128093 NA MeJP NA NA +8117 peptide derived from sardinelle by-products proteins (Sardinella aurita) PHYL 264.1285 MH2+ Inhouse_peptide NA peptide +8236 Antioxidative peptide WNIP 264.12895 MH2+ Inhouse_peptide NA peptide +MJ018401 1,4-Diamino-1,4-dideoxyglucitol, Di-N-Ac C10H20N2O6 264.132136 NA MeJP NA NA +3384 ACE inhibitor VF 264.136 celiac toxic Inhouse_peptide NA peptide +MJ018402 Abscisate C15H20O4 264.136159 NA MeJP NA NA +MJ018403 1,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018404 1,10-Epoxy-11(13)-eremophilen-12,8-olide, 2?-Hydroxy C15H20O4 264.136159 NA MeJP NA NA +MJ018405 1,10-Epoxy-13-hydroxy-7(11)-eremophilen-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018406 1,10-Epoxy-14-hydroxy-4,11(13)-germacradien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018407 1,10-Epoxy-2-hydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro C15H20O4 264.136159 NA MeJP NA NA +MJ018408 1,10-Epoxy-3-guaien-12,6-olide, 2?-Hydroxy C15H20O4 264.136159 NA MeJP NA NA +MJ018409 1,10-Epoxy-3-guaien-12,6-olide, 2?-Hydroxy C15H20O4 264.136159 NA MeJP NA NA +MJ018410 1,10-Epoxy-3-guaien-12,6-olide, 8?-Hydroxy C15H20O4 264.136159 NA MeJP NA NA +MJ018411 1,10-Epoxy-3-guaien-12,6-olide, ?4-Isomer, 3-hydroxy C15H20O4 264.136159 NA MeJP NA NA +MJ018412 1,10-Epoxy-5-hydroxy-4(15),11(13)-germacradien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018413 1,10-Epoxy-6-hydroxy-4,11(13)-germacradien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018414 1,10-Epoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018415 1,10-Seco-3,5(10)-eudesmadien-12,6-olid-1-oic acid C15H20O4 264.136159 NA MeJP NA NA +MJ018416 1,10:4,5-Diepoxy-11(13)-germacren-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018417 1,10:4,5-Diepoxy-11(13)-germacren-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018418 1,10:4,5-Diepoxy-7(11)-germacren-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018419 1,13-Dihydroxy-3,7(11)-eudesmadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018420 1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 15-Aldehyde C15H20O4 264.136159 NA MeJP NA NA +MJ018421 1,2-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018422 1,2-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018423 1,2-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018424 1,2-Dihydroxy-4,11(13)-eudesmadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018425 1,3-Dihydroxy-12,6-eudesmanolide, 11,13-Didehydro, 3-ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018426 1,3-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018427 1,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018428 1,3-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018429 1,3-Dihydroxy-4,11(13)-eudesmadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018430 1,3-Dihydroxy-4-eudesmen-12,6-olide, 3-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018431 1,3-Dioxo-2,3-seco-4,10(14)-germacradien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018432 1,3-Dioxo-2,3-seco-4,9-germacradien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018433 1,4-Dihydroxy-2,11(13)-eudesmadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018434 1,4-Dihydroxy-2,11(13)-eudesmadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018435 1,4-Dihydroxyfuranoeremophilan-6-one C15H20O4 264.136159 NA MeJP NA NA +MJ018436 1,5-Dihydroxy-3,10(14)-guaiadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018437 1,5-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018438 1,5-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018439 1,5-Dihydroxyeriocephaloide C15H20O4 264.136159 NA MeJP NA NA +MJ018440 1,6-Dihydroxy-3,11(13)-eudesmadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018441 1,6-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018442 1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018443 1,6-Dihydroxy-4,11(13)-eudesmadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018444 1,6-Dihydroxy-4,9,11(13)-germacratrien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018445 1,6-Dihydroxyfuranoeremophilan-9-one C15H20O4 264.136159 NA MeJP NA NA +MJ018446 1,7,10-Trihydroxy-2(9),3(15)-illudadien-8-one C15H20O4 264.136159 NA MeJP NA NA +MJ018447 1,7,11-Trihydroxy-1,3,5,9-bisabolatetraen-8-one C15H20O4 264.136159 NA MeJP NA NA +MJ018448 1,7,12-Trihydroxy-2,9-illudadien-8-one C15H20O4 264.136159 NA MeJP NA NA +MJ018449 1,7-Dihydroxy-3,11(13)-eudesmadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018450 1,7-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018451 1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018452 1,8-Dihydroxy-3,7(11)-eremophiladien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018453 1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018454 1,8-Dihydroxy-4(15),7(11)-eremophiladien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018455 1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018456 1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018457 1,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 1-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018458 1,9-Dihydroxy-3,11(13)-eudesmadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018459 1,9-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018460 1,9-Dihydroxy-4,10(14)-germacradien-12,6-olide, 1-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018461 1,9-Dihydroxy-4,10(14)-germacradien-12,6-olide, 11,13-Didehydro C15H20O4 264.136159 NA MeJP NA NA +MJ018462 1-Hydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 1-Carboxylic acid C15H20O4 264.136159 NA MeJP NA NA +MJ018463 1-Hydroxy-12-oxo-2,6,10-farnesatrien-14,5-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018464 1-Hydroxy-2-oxo-3-eudesmen-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018465 1-Hydroxy-3-oxo-4-guaien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018466 1-Hydroxy-4,10(14)-germacradien-12,6-olide, 11,13-Didehydro, 1-hydroperoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018467 1-Hydroxy-4-oxo-11(13)-pseudoguaien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018468 1-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,6-olide, 1,2-Dihydro C15H20O4 264.136159 NA MeJP NA NA +MJ018469 1-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,6-olide, 11,13-Dihydro C15H20O4 264.136159 NA MeJP NA NA +MJ018470 1-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,6-olide, 11?,13-Dihydro C15H20O4 264.136159 NA MeJP NA NA +MJ018471 1-Hydroxy-4-oxo-7(11)-pseudoguaien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018472 1-Hydroxy-8-oxo-6,9-eremophiladien-12-oic acid C15H20O4 264.136159 NA MeJP NA NA +MJ018473 1-[3-Hydroxy-4-(hydroxymethyl)phenyl]-1,5-heptadiene-3,4-diol, 3'-Me ether C15H20O4 264.136159 NA MeJP NA NA +MJ018474 1-[6-(2-Penten-4-ynyl)-2,5-dioxabicyclo[2.2.1]hept-3-yl]-4-pentene-2,3-diol C15H20O4 264.136159 NA MeJP NA NA +MJ018475 10,14-Epoxy-4-oxo-12,6-pseudoguaianolide C15H20O4 264.136159 NA MeJP NA NA +MJ018476 10-Hydroxy-1,11(13)-eremophiladien-12,8-olide, 1?,2?-Epoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018477 10-Hydroxy-3-oxo-1,11(13)-eremophiladien-12-oic acid; 10?-form C15H20O4 264.136159 NA MeJP NA NA +MJ018478 10-Hydroxy-3-oxo-1,11(13)-eremophiladien-12-oic acid; 10?-form C15H20O4 264.136159 NA MeJP NA NA +MJ018479 10-Hydroxy-3-oxo-11(13)-guaien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018480 10-Hydroxy-4-oxo-12,6-pseudoguaianolide, 11,13-Didehydro C15H20O4 264.136159 NA MeJP NA NA +MJ018481 11(13)-Epoxy-4-oxo-2-pseudoguaien-12,6-olide, 2,3-Dihydro C15H20O4 264.136159 NA MeJP NA NA +MJ018482 11,12-Epoxy-13-hydroxy-9-trichothecen-8-one C15H20O4 264.136159 NA MeJP NA NA +MJ018483 11,13-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018484 13-Hydroxy-3-oxo-1(10),7(11)-germacradien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018485 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018486 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018487 15-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H20O4 264.136159 NA MeJP NA NA +MJ018488 15-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 3,4?-Dihydro C15H20O4 264.136159 NA MeJP NA NA +MJ018489 15-Hydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro C15H20O4 264.136159 NA MeJP NA NA +MJ018490 2,13-Dihydroxy-5,7(11)-eudesmadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018491 2,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018492 2,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018493 2,3-Dihydroxy-4,11(13)-eudesmadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018494 2,3-Epoxy-1-hydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro C15H20O4 264.136159 NA MeJP NA NA +MJ018495 2,3-Epoxy-4-hydroxy-11(13)-pseudoguaien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018496 2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 4-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018497 2,4-Dihydroxy-10(14),11(13)-guaiadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018498 2,4-Dihydroxy-3-cedrene-1,5-dione C15H20O4 264.136159 NA MeJP NA NA +MJ018499 2,4-Dihydroxy-5,11(13)-guaiadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018500 2,4-Dihydroxy-9,11(13)-guaiadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018501 2,5-Dihydroxy-2,5,10-bisabolatriene-1,4-dione C15H20O4 264.136159 NA MeJP NA NA +MJ018502 2,5-Epidioxy-3,11(13)-eudesmadien-12-oic acid C15H20O4 264.136159 NA MeJP NA NA +MJ018503 2,7-Dihydroxy-4,11(13)-eudesmadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018504 2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018505 2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro C15H20O4 264.136159 NA MeJP NA NA +MJ018506 2,8-Dihydroxy-4,10(14)-germacradien-12,6-olide, 2-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018507 2-(3-Methyl-2-oxiranyl)-1,4-benzenediol; 4-Me ether, 1-O-(2-methylbutanoyl) C15H20O4 264.136159 NA MeJP NA NA +MJ018508 2-Hydroxy-4-oxo-1(5),11(13)-xanthadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018509 2-Hydroxy-4-oxo-11(13)-pseudoguaien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018510 2-Hydroxy-5,11(13)-eudesmadien-12,8-olide, 5?,6?-Epoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018511 2-Hydroxy-8-oxo-3-eudesmen-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018512 2-Methoxy-4-(1-propenyl)phenol, 1',2'-Epoxide, 3-methylbutanoyl C15H20O4 264.136159 NA MeJP NA NA +MJ018513 2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone C15H20O4 264.136159 NA MeJP NA NA +MJ018514 2-Oxomicrocionin 2-lactone C15H20O4 264.136159 NA MeJP NA NA +MJ018515 3,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018516 3,10-Dihydroxy-4,11(13)-guaiadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018517 3,11-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018518 3,14-Dihydroxy-1(10),4-germacradien-12,6-olide, 14-Aldehyde C15H20O4 264.136159 NA MeJP NA NA +MJ018519 3,15-Dihydroxy-10(14),11(13)-guaiadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018520 3,15-Dihydroxy-4,11(13)-eudesmadien-12,8-olide; 3?-form C15H20O4 264.136159 NA MeJP NA NA +MJ018521 3,4-Dihydro-6-hydroxy-2,7,8-trimethyl-2H-1-benzopyran-2-propanoic acid C15H20O4 264.136159 NA MeJP NA NA +MJ018522 3,4-Dihydroxy-10(14),11(13)-guaiadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018523 3,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 3-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018524 3,4-Dihydroxy-9,11(13)-guaiadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018525 3,4-Epoxy-1-hydroxy-11(13)-eudesmen-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018526 3,4-Epoxy-10-hydroxy-11(13)-guaien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018527 3,4-Epoxy-2-hydroxy-1(10),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro C15H20O4 264.136159 NA MeJP NA NA +MJ018528 3,4-Epoxy-8-hydroxy-10(14),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro C15H20O4 264.136159 NA MeJP NA NA +MJ018529 3,5-Dihydroxy-4(15),10(14)-guaiadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018530 3,5-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018531 3,6-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018532 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018533 3,8-Dihydroxy-10(14)-guaien-12,6-olide, 3-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018534 3,8-Dihydroxy-10(14)-guaien-12,6-olide, 11,13-Didehydro C15H20O4 264.136159 NA MeJP NA NA +MJ018535 3,8-Dihydroxy-10(14)-guaien-12,6-olide, 3-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018536 3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018537 3,8-Dihydroxy-4(15),9,11(13)-germacratrien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018538 3,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018539 3,8-Dihydroxy-4,9,11(13)-germacratrien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018540 3,9-Dihydroxy-10(14)-guaien-12,6-olide, 3-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018541 3,9-Dihydroxy-10(14)-guaien-12,6-olide, 4,15-Didehydro C15H20O4 264.136159 NA MeJP NA NA +MJ018542 3,9-Dihydroxy-10(14)-guaien-12,6-olide, 3-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018543 3,9-Dihydroxy-10(14)-guaien-12,6-olide, 4,15-Didehydro C15H20O4 264.136159 NA MeJP NA NA +MJ018544 3,9-Dihydroxy-10(14)-guaien-12,6-olide, 3-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018545 3,9-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro C15H20O4 264.136159 NA MeJP NA NA +MJ018546 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1-O-(3-methylbutanoyl) C15H20O4 264.136159 NA MeJP NA NA +MJ018547 3-(4-Hydroxyphenyl)-2-propenoic acid, O-(4-Hydroxy-3-methylbutyl), Me ester C15H20O4 264.136159 NA MeJP NA NA +MJ018548 3-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 1?,10?-Epoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018549 3-Hydroxy-1-oxo-7(11)-eudesmen-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018550 3-Hydroxy-2-oxo-1(10),11(13)-eremophiladien-12-oic acid; 3?-form C15H20O4 264.136159 NA MeJP NA NA +MJ018551 3-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-Hydroperoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018552 3-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 4?,15-Epoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018553 3-Hydroxy-4,11(13)-eudesmadien-12,6-olide, 3-Hydroperoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018554 3-Hydroxy-4,11(13)-eudesmadien-12,8-olide, 4?,5?-Epoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018555 3-Hydroxy-4,11(13)-eudesmadien-12,8-olide, 3-Hydroperoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018556 3-Hydroxy-4,11(13)-eudesmadien-12,8-olide, 4?,5?-Epoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018557 3-Hydroxy-4-oxo-11(13)-pseudoguaien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018558 3-Methyl-1-butanol; 4-Hydroxy-3-methoxycinnamoyl(E) C15H20O4 264.136159 NA MeJP NA NA +MJ018559 3-Methyl-1-butanol; 4-Hydroxy-3-methoxycinnamoyl(Z) C15H20O4 264.136159 NA MeJP NA NA +MJ018560 4,10-Dihydroxy-1,11(13)-guaiadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018561 4,10-Dihydroxy-2,11(13)-guaiadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018562 4,10-Dihydroxy-4,5-seco-1(5),11(13)-guaiadien-12,8-olide, 4-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018563 4,14-Dihydroxy-6,8-lactaradien-5,14-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018564 4,15-Dihydroxy-10(14),11(13)-guaiadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018565 4,5-Dioxo-1(10)-xanthen-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018566 4,5-Epoxy-1-hydroxy-10(14),11(13)-germacradien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018567 4,5-Epoxy-1-oxo-12,6-eudesmanolide C15H20O4 264.136159 NA MeJP NA NA +MJ018568 4,5-Epoxy-14-hydroxy-1(10),11(13)-germacradien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018569 4,5-Epoxy-2-hydroxy-1(10),11(13)-germacradien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018570 4,5-Epoxy-3-hydroxy-1(10),11(13)-germacradien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018571 4,5-Epoxy-6-hydroxy-1(10),11(13)-germacradien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018572 4,5-Epoxy-6-hydroxy-10(14),11(13)-germacradien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018573 4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018574 4,5-Epoxy-9-hydroxy-1(10),11(13)-germacradien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018575 4,6-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018576 4,8-Dihydroxy-1(10),2-guaiadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018577 4,8-Dihydroxy-10(14),11(13)-guaiadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018578 4,8-Scirpenediol, 8-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018579 4-Hydroperoxy-2,11(13)-eudesmadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018580 4-Hydroxy-1-oxo-2-eudesmen-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018581 4-Hydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone, 10?-hydroxy C15H20O4 264.136159 NA MeJP NA NA +MJ018582 4-Hydroxy-5,11(13)-eudesmadien-12,8-olide, 4-Hydroperoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018583 4-Hydroxy-9,11(13)-guaiadien-12,8-olide, 9?,10?-Epoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018584 4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 1?,5?-Epoxide, 11?,13-dihydro C15H20O4 264.136159 NA MeJP NA NA +MJ018585 4-Oxo-7(11)-pseudoguaien-12,6-olide, 13-Hydroxy C15H20O4 264.136159 NA MeJP NA NA +MJ018586 5,10-Epoxy-1-hydroxy-3,11(13)-germacradien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018587 5,6-Dihydroxy-1(10),4(15),11(13)-germacratrien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018588 5,7-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018589 5,7-Dihydroxy-6-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; 5,7-Di-Me ether C15H20O4 264.136159 NA MeJP NA NA +MJ018590 5,7-Dihydroxy-6-isobutyryl-2,2-dimethylchroman C15H20O4 264.136159 NA MeJP NA NA +MJ018591 5,7-Dihydroxy-8-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; 5,7-Di-Me ether C15H20O4 264.136159 NA MeJP NA NA +MJ018592 5,7-Dihydroxy-8-isobutyryl-2,2-dimethylchroman C15H20O4 264.136159 NA MeJP NA NA +MJ018593 5,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018594 5,8-Dihydroxy-4(15),7(11)-eudesmadien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018595 5-(1,3-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid, 3'-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018596 5-Hydroperoxy-3,9-amorphadien-14,2-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018597 5-Hydroxy-14-oxo-3-cedren-15-oic acid C15H20O4 264.136159 NA MeJP NA NA +MJ018598 5-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 5-Hydroperoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018599 5-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 4?,15-Epoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018600 5-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 5-Hydroperoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018601 5-Hydroxy-4,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde; O-(4-Hydroxy-3-methyl-2-butenoyl) C15H20O4 264.136159 NA MeJP NA NA +MJ018602 5-Hydroxy-6-silphiperfolen-13-oic acid, 5-Ketone, 6?,7?-epoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018603 6,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018604 6,14-Dihydroxy-1,3,11(13)-elematrien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018605 6,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018606 6,7-Epoxy-5-hydroxy-4(15)-hirsuten-12-oic acid C15H20O4 264.136159 NA MeJP NA NA +MJ018607 6,7:11,12-Diepoxy-3-hydroxy-9-eremophilen-8-one C15H20O4 264.136159 NA MeJP NA NA +MJ018608 6,8-Dihydroxy-1(10),7(11)-eremophiladien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018609 6,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018610 6,9-Dihydroxyfuranoeremophilan-1-one C15H20O4 264.136159 NA MeJP NA NA +MJ018611 6-Acetyl-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran; 1'-Alcohol, 7,8-di-Me ether C15H20O4 264.136159 NA MeJP NA NA +MJ018612 6-Hydroxy-3-oxo-1-guaien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018613 6-Hydroxy-3-oxo-4-guaien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018614 6-Hydroxy-3-oxo-5(10)-pinguisen-11,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018615 6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018616 7-Hydroxy-3-oxo-4-guaien-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018617 8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018618 8,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018619 8,13-Dihydroxy-1(10),4,7(11)-germacratrien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018620 8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018621 8,14-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018622 8,14-Dihydroxy-1,3,11(13)-elematrien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018623 8,14-Dihydroxy-2,6-lactaradien-5,14-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018624 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018625 8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro C15H20O4 264.136159 NA MeJP NA NA +MJ018626 8,15-Dihydroxy-1,3-elemadien-12,6-olide, 15-Aldehyde C15H20O4 264.136159 NA MeJP NA NA +MJ018627 8,9-Seco-1(10),7(11)-eremophiladien-8,12-olid-9-oic acid C15H20O4 264.136159 NA MeJP NA NA +MJ018628 8-Hydroxy-1-oxo-4-eudesmen-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018629 8-Hydroxy-14-oxo-1(10),4-germacradien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018630 8-Hydroxy-15-nor-4-oxo-1(5),11(13)-guaiadien-12-oic acid, Me ester C15H20O4 264.136159 NA MeJP NA NA +MJ018631 8-Hydroxy-3-oxo-1(10),11(13)-germacradien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018632 8-Hydroxy-3-oxo-7(11)-eremophilen-12,8-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018633 8-Hydroxy-4(15),7(11)-eudesmadien-12,8-olide, 8-Hydroperoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018634 8-Hydroxy-4-oxo-11(13)-pseudoguaien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018635 9,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018636 9,10-Dihydroxy-7-marasmen-5,14-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018637 9,11-Dihydroxy-4(13),7-coloratadien-12,11-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018638 9,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide C15H20O4 264.136159 NA MeJP NA NA +MJ018639 9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 1?,10?-Epoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018640 9-Hydroxy-2-oxo-3,11(13)-eudesmadien-12-oic acid C15H20O4 264.136159 NA MeJP NA NA +MJ018641 Abscisic acid C15H20O4 264.136159 NA MeJP NA NA +MJ018642 Alliacol A C15H20O4 264.136159 NA MeJP NA NA +MJ018643 Alliacol B C15H20O4 264.136159 NA MeJP NA NA +MJ018644 Ambrosic acid C15H20O4 264.136159 NA MeJP NA NA +MJ018645 Antheindurolide A C15H20O4 264.136159 NA MeJP NA NA +MJ018646 Anthepseudolide C15H20O4 264.136159 NA MeJP NA NA +MJ018647 Antibiotic A 82775B C15H20O4 264.136159 NA MeJP NA NA +MJ018648 Ascosalitoxin C15H20O4 264.136159 NA MeJP NA NA +MJ018649 Benghalensin A C15H20O4 264.136159 NA MeJP NA NA +MJ018650 Benghalensin B C15H20O4 264.136159 NA MeJP NA NA +MJ018651 Cybrodol, 1-Carboxylic acid C15H20O4 264.136159 NA MeJP NA NA +MJ018652 Cycloeumorphinone C15H20O4 264.136159 NA MeJP NA NA +MJ018653 Emmotin Z C15H20O4 264.136159 NA MeJP NA NA +MJ018654 Eupatoriochromene C C15H20O4 264.136159 NA MeJP NA NA +MJ018655 Ferulol; O-(4-Hydroxy-3-methyl-2-butenoyl) C15H20O4 264.136159 NA MeJP NA NA +MJ018656 Greenein C15H20O4 264.136159 NA MeJP NA NA +MJ018657 Helicobasidin C15H20O4 264.136159 NA MeJP NA NA +MJ018658 Heliespirone A C15H20O4 264.136159 NA MeJP NA NA +MJ018659 Hulupinic acid C15H20O4 264.136159 NA MeJP NA NA +MJ018660 Hymenoratin C C15H20O4 264.136159 NA MeJP NA NA +MJ018661 Illicinone A, 2R,3-Dihydro, 11S,12-epoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018662 Illicinone A, 2S,3-Dihydro, 11S,12-epoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018663 Illicinone A, 2R,3-Dihydro, 11S,12-epoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018664 Illicinone A, 2R,3-Dihydro, ?10,11-isomer, 12-hydroxy C15H20O4 264.136159 NA MeJP NA NA +MJ018665 Illicinone A, 2S,3-Dihydro, ?10,11-isomer, 12-hydroxy C15H20O4 264.136159 NA MeJP NA NA +MJ018666 Illicinone H C15H20O4 264.136159 NA MeJP NA NA +MJ018667 Illifunone, 2,3-Didehydro, 5,6-dihydro, 5S-methoxy, 4-Me ether C15H20O4 264.136159 NA MeJP NA NA +MJ018668 Isoferulol; O-(4-Hydroxy-3-methyl-2-butenoyl) C15H20O4 264.136159 NA MeJP NA NA +MJ018669 Isoquadrone; 6-Hydroxy C15H20O4 264.136159 NA MeJP NA NA +MJ018670 Ivambrin; 2-Deoxy, 9?-hydroxy, 4-ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018671 Jesterone C15H20O4 264.136159 NA MeJP NA NA +MJ018672 Kanshone D; 2-Ketone C15H20O4 264.136159 NA MeJP NA NA +MJ018673 Laurefucin; Debromo, 3,4-didehydro, 11-hydroxy C15H20O4 264.136159 NA MeJP NA NA +MJ018674 Marasmene; 15-Hydroxy, 3-oxo C15H20O4 264.136159 NA MeJP NA NA +MJ018675 Merulanic acid C15H20O4 264.136159 NA MeJP NA NA +MJ018676 Muzigadial; 4?,13-Epoxide C15H20O4 264.136159 NA MeJP NA NA +MJ018677 Myoporone, 10,11-Epoxy C15H20O4 264.136159 NA MeJP NA NA +MJ018678 Nehipediol C15H20O4 264.136159 NA MeJP NA NA +MJ018679 Onitisin C15H20O4 264.136159 NA MeJP NA NA +MJ018680 Oreadone; Formyl C15H20O4 264.136159 NA MeJP NA NA +MJ018681 Paniculide A C15H20O4 264.136159 NA MeJP NA NA +MJ018682 Pentalenolactone D C15H20O4 264.136159 NA MeJP NA NA +MJ018683 Phomenone C15H20O4 264.136159 NA MeJP NA NA +MJ018684 Pinguisanolide C15H20O4 264.136159 NA MeJP NA NA +MJ018685 Psilostachyin C C15H20O4 264.136159 NA MeJP NA NA +MJ018686 Pterosin D, 14-Hydroxy C15H20O4 264.136159 NA MeJP NA NA +MJ018687 Pterosin D, 15-Hydroxy C15H20O4 264.136159 NA MeJP NA NA +MJ018688 Pterosin D, 5?-Hydroxy C15H20O4 264.136159 NA MeJP NA NA +MJ018689 Pterosin L C15H20O4 264.136159 NA MeJP NA NA +MJ018690 Quadrone; 8?-Hydroxy C15H20O4 264.136159 NA MeJP NA NA +MJ018691 Ricciocarpin B C15H20O4 264.136159 NA MeJP NA NA +MJ018692 Sipandolide C15H20O4 264.136159 NA MeJP NA NA +MJ018693 Sydowic acid C15H20O4 264.136159 NA MeJP NA NA +MJ018694 Themoidin; 11,13-Didehydro C15H20O4 264.136159 NA MeJP NA NA +MJ018695 Themoidin; 8-Epimer, 11,13-didehydro C15H20O4 264.136159 NA MeJP NA NA +MJ018696 Umbellifolide C15H20O4 264.136159 NA MeJP NA NA +MJ018697 Verocephol C15H20O4 264.136159 NA MeJP NA NA +MJ018698 Wutaiensol C15H20O4 264.136159 NA MeJP NA NA +MJ018699 Zaluzanin A C15H20O4 264.136159 NA MeJP NA NA +MJ018700 ?-Santal-10-ene-12,15-dioic acid C15H20O4 264.136159 NA MeJP NA NA +MetaCyc02377 4-prenylphlorisobutyrophenone [compound co-X;PPIBP;] C15H20O4 264.136159 NA metacyc NA NA +MetaCyc02378 abscisate [abscisic acid;ABA;(+)-abscisate;] C15H20O4 264.136159 NA metacyc NA NA +C06082 Abscisate C15H20O4 264.1362 NA KEGG NA NA +C09291 Amaralin C15H20O4 264.1362 NA KEGG NA NA +C09304 Artemisiifolin C15H20O4 264.1362 NA KEGG NA NA +C09349 Baileyin C15H20O4 264.1362 NA KEGG NA NA +C09355 Chamissonin C15H20O4 264.1362 NA KEGG NA NA +C09381 Coronopilin C15H20O4 264.1362 NA KEGG NA NA +C09453 Florilenalin C15H20O4 264.1362 NA KEGG NA NA +C09456 Geigerin C15H20O4 264.1362 NA KEGG NA NA +C09470 Granilin C15H20O4 264.1362 NA KEGG NA NA +C09481 Hymenolin C15H20O4 264.1362 NA KEGG NA NA +C09498 Ludovicin A C15H20O4 264.1362 NA KEGG NA NA +C09506 Michelenolide C15H20O4 264.1362 NA KEGG NA NA +C09530 Pleniradin C15H20O4 264.1362 NA KEGG NA NA +C09531 Plenolin C15H20O4 264.1362 NA KEGG NA NA +C09540 Ridentin C15H20O4 264.1362 NA KEGG NA NA +C09542 Salonitenolide C15H20O4 264.1362 NA KEGG NA NA +C09574 Vermeerin C15H20O4 264.1362 NA KEGG NA NA +C09600 Vulgarin C15H20O4 264.1362 NA KEGG NA NA +C09683 Hirsutic acid C C15H20O4 264.1362 NA KEGG NA NA +C09688 Illudin S C15H20O4 264.1362 NA KEGG NA NA +C09708 Phomenone C15H20O4 264.1362 NA KEGG NA NA +C10766 Ascosalitoxin C15H20O4 264.1362 NA KEGG NA NA +C11060 (-)-Abscisic acid C15H20O4 264.1362 NA KEGG NA NA +MJ018701 Stilbamidine C16H16N4 264.137496 NA MeJP NA NA +MJ018702 Villagorgin A C16H16N4 264.137496 NA MeJP NA NA +MJ018703 3-[(Dimethylamino)methyl]-1,5-dimethoxyindole; ar-Methoxy C14H20N2O3 264.147392 NA MeJP NA NA +MJ018704 Phenamide C14H20N2O3 264.147392 NA MeJP NA NA +MJ018705 Propacetamol C14H20N2O3 264.147392 NA MeJP NA NA +MJ018706 Subaphylline C14H20N2O3 264.147392 NA MeJP NA NA +C10497 Feruloylputrescine C14H20N2O3 264.1474 NA KEGG NA NA +PJ000124 VF C14H20N2O3 264.1474 NA PeJP NA NA +MJ018707 1,7-Diphenyl-4,6-heptadien-3-ol C19H20O 264.151415 NA MeJP NA NA +MJ018708 1,7-Diphenyl-4,6-heptadien-3-one, 4,5-Dihydro C19H20O 264.151415 NA MeJP NA NA +MJ018709 1,7-Diphenyl-4-hepten-3-one C19H20O 264.151415 NA MeJP NA NA +MJ018710 18(4?3)-Abeo-20-nor-1,3,5(10),6,8,11,13-abietaheptaen-12-ol C19H20O 264.151415 NA MeJP NA NA +MJ018711 1-Hexanol; O-?-D-Glucopyranoside C12H24O6 264.157288 NA MeJP NA NA +MJ018712 Fuscusine C13H20N4O2 264.158625 NA MeJP NA NA +MJ018713 Theobromine; 1-Hexyl C13H20N4O2 264.158625 NA MeJP NA NA +C09036 (-)-Apparicine C18H20N2 264.1626 NA KEGG NA NA +MJ018714 1,2,3,4-Tetrahydroellipticine; N2-Me C18H20N2 264.162648 NA MeJP NA NA +MJ018715 Amezepine C18H20N2 264.162648 NA MeJP NA NA +MJ018716 Apparicine C18H20N2 264.162648 NA MeJP NA NA +MJ018717 Ciclopramine C18H20N2 264.162648 NA MeJP NA NA +MJ018718 Guatambuine C18H20N2 264.162648 NA MeJP NA NA +MJ018719 Mianserin C18H20N2 264.162648 NA MeJP NA NA +C09657 Dehydrojuvabione C16H24O3 264.1725 NA KEGG NA NA +C17747 5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone C16H24O3 264.1725 NA KEGG NA NA +MJ018720 1(10),4-Germacradien-12,6-olide, 13-Methoxy C16H24O3 264.172544 NA MeJP NA NA +MJ018721 1,3,5-Herbertatriene-1,2,12-triol; 12-Me ether C16H24O3 264.172544 NA MeJP NA NA +MJ018722 1-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, Me ester C16H24O3 264.172544 NA MeJP NA NA +MJ018723 11-Hydroxy-5-silphiperfolen-13-oic acid; 11?-form, Me ester C16H24O3 264.172544 NA MeJP NA NA +MJ018724 13,14,15,16-Tetranor-2-oxo-3-cleroden-12-oic acid C16H24O3 264.172544 NA MeJP NA NA +MJ018725 13-Hydroxy-3-longipinen-12-oic acid; 13-Me ether C16H24O3 264.172544 NA MeJP NA NA +MJ018726 2,4-Tridecadiyn-1-ol; Methoxyacetate C16H24O3 264.172544 NA MeJP NA NA +MJ018727 2-(3,7-Dimethyl-2,6-octadienyl)-1,4-benzenediol; 3'-Hydroxy, 2',3'-dihydro C16H24O3 264.172544 NA MeJP NA NA +MJ018728 2-(3,7-Dimethyl-2,6-octadienyl)-1,4-benzenediol; 7'-Hydroxy, 6',7'-dihydro C16H24O3 264.172544 NA MeJP NA NA +MJ018729 2-Hydroxy-3,11(13)-eudesmadien-12-oic acid; 2?-form, Me ether C16H24O3 264.172544 NA MeJP NA NA +MJ018730 3-Hydroxy-1(10),4-cadinadien-15-oic acid; Me ether C16H24O3 264.172544 NA MeJP NA NA +MJ018731 3-Hydroxy-4-isopropylbenzyl alcohol; 3-Me ether, 7-O-(3-methylbutanoyl) C16H24O3 264.172544 NA MeJP NA NA +MJ018732 3-Longipinene-12,15-diol; 12-Carboxylic acid, 15-Me ether C16H24O3 264.172544 NA MeJP NA NA +MJ018733 4-(5-Hydroxy-4,7,8-trimethyl-3,8-nonadienyl)-2(5H)furanone C16H24O3 264.172544 NA MeJP NA NA +MJ018734 4-(5-Hydroxy-4,8-dimethyl-7-methylene-3-nonenyl)-2(5H)furanone C16H24O3 264.172544 NA MeJP NA NA +MJ018735 4-Muurolene-7,15-diol, 7,15-Carbonate C16H24O3 264.172544 NA MeJP NA NA +MJ018736 5,14-Epoxy-5,7(14)-lactaradiene-3,8-diol, 3-Me ether C16H24O3 264.172544 NA MeJP NA NA +MJ018737 5-Hydroxy-4-[2-(1,2,6-trimethyl-2-cyclohexen-1-yl)ethyl]-2(5H)-furanone; Me ether C16H24O3 264.172544 NA MeJP NA NA +MJ018738 5-Hydroxy-6-silphiperfolen-13-oic acid, Me ether C16H24O3 264.172544 NA MeJP NA NA +MJ018739 5-Hydroxy-6-silphiperfolen-13-oic acid; 5?-form, Me ether C16H24O3 264.172544 NA MeJP NA NA +MJ018740 6-Hydroxy-3(15),7(14)-caryophylladien-8-one, 12-Hydroxy, 6-Me ether C16H24O3 264.172544 NA MeJP NA NA +MJ018741 6-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid; 6?-form, Me ester C16H24O3 264.172544 NA MeJP NA NA +MJ018742 6-Hydroxy-4,11(13)-eudesmadien-12-oic acid, Me ester C16H24O3 264.172544 NA MeJP NA NA +MJ018743 6-Hydroxy-5(10)-pinguisen-11,6-olide; 6à OH-form, 6-Me ether C16H24O3 264.172544 NA MeJP NA NA +MJ018744 9-Oxo-1,2-dinor-5,10-prostadienoic acid C16H24O3 264.172544 NA MeJP NA NA +MJ018745 9-Oxo-2-bisabolen-15-oic acid, 10,11-Didehydro, Me ester C16H24O3 264.172544 NA MeJP NA NA +MJ018746 Brefeldin A; 7-Deoxy C16H24O3 264.172544 NA MeJP NA NA +MJ018747 Clitocybulol A; 6-Me ether C16H24O3 264.172544 NA MeJP NA NA +MJ018748 Epijuvabienol ether C16H24O3 264.172544 NA MeJP NA NA +MJ018749 Furanoeremophilane-6,10-diol, 6-Me ether C16H24O3 264.172544 NA MeJP NA NA +MJ018750 Norafricanone C16H24O3 264.172544 NA MeJP NA NA +MJ018751 Norbotryal acetate C16H24O3 264.172544 NA MeJP NA NA +MJ018752 Pallescensolide C16H24O3 264.172544 NA MeJP NA NA +MJ018753 Secoswartzianin B C16H24O3 264.172544 NA MeJP NA NA +3548 NA IKVAV 264.1755 MH2+ Inhouse_peptide NA peptide +MJ018754 12-Hydroxylupanine; 12?-form C15H24N2O2 264.183778 NA MeJP NA NA +MJ018755 13-Hydroxylupanine C15H24N2O2 264.183778 NA MeJP NA NA +MJ018756 3-Hydroxylupanine C15H24N2O2 264.183778 NA MeJP NA NA +MJ018757 4-Hydroxylupanine C15H24N2O2 264.183778 NA MeJP NA NA +MJ018758 6-Hydroxylupanine C15H24N2O2 264.183778 NA MeJP NA NA +MJ018759 ?-Isosparteine, 17-Oxo, 2?-hydroxy C15H24N2O2 264.183778 NA MeJP NA NA +MJ018760 Aphyllic acid; 2',3'-Didehydro C15H24N2O2 264.183778 NA MeJP NA NA +MJ018761 Aphylline; 2?-Hydroxy C15H24N2O2 264.183778 NA MeJP NA NA +MJ018762 Aphylline; N-Oxide C15H24N2O2 264.183778 NA MeJP NA NA +MJ018763 Chamaecytisus Alkaloid C1 C15H24N2O2 264.183778 NA MeJP NA NA +MJ018764 Darvasamine; 13?-Hydroxy C15H24N2O2 264.183778 NA MeJP NA NA +MJ018765 Darvasoline C15H24N2O2 264.183778 NA MeJP NA NA +MJ018766 Dimetholizine C15H24N2O2 264.183778 NA MeJP NA NA +MJ018767 Hydroxyaphylline C15H24N2O2 264.183778 NA MeJP NA NA +MJ018768 Jamaidine C15H24N2O2 264.183778 NA MeJP NA NA +MJ018769 Lamprolobine C15H24N2O2 264.183778 NA MeJP NA NA +MJ018770 Leontismidine C15H24N2O2 264.183778 NA MeJP NA NA +MJ018771 Leontismine C15H24N2O2 264.183778 NA MeJP NA NA +MJ018772 Lupanine, N16-Oxide C15H24N2O2 264.183778 NA MeJP NA NA +MJ018773 Lupilaxine C15H24N2O2 264.183778 NA MeJP NA NA +MJ018774 Matrine, 13?-Hydroxy C15H24N2O2 264.183778 NA MeJP NA NA +MJ018775 Matrine, 14?-Hydroxy C15H24N2O2 264.183778 NA MeJP NA NA +MJ018776 Matrine, 14?-Hydroxy C15H24N2O2 264.183778 NA MeJP NA NA +MJ018777 Matrine, 3?-Hydroxy C15H24N2O2 264.183778 NA MeJP NA NA +MJ018778 Matrine, 9?-Hydroxy C15H24N2O2 264.183778 NA MeJP NA NA +MJ018779 Matrine, N1-Oxide C15H24N2O2 264.183778 NA MeJP NA NA +MJ018780 Sophoranol C15H24N2O2 264.183778 NA MeJP NA NA +MJ018781 Sophoridine, 14?-Hydroxy C15H24N2O2 264.183778 NA MeJP NA NA +MJ018782 Sophoridine, 1?-Oxide C15H24N2O2 264.183778 NA MeJP NA NA +MJ018783 Sophoridine, 3?-Hydroxy C15H24N2O2 264.183778 NA MeJP NA NA +MJ018784 Tetracaine C15H24N2O2 264.183778 NA MeJP NA NA +MJ018785 Tetrahydrocytisine; Hydroxy, N-(3-butenyl) C15H24N2O2 264.183778 NA MeJP NA NA +MJ018786 Thermopsamine; 4-Oxo C15H24N2O2 264.183778 NA MeJP NA NA +MJ018787 Virgiline C15H24N2O2 264.183778 NA MeJP NA NA +MetaCyc02379 13-hydroxylupinine [13-hydroxylupanine;] C15H24N2O2 264.183778 NA metacyc NA NA +C02621 13-Hydroxylupanine C15H24N2O2 264.1838 NA KEGG NA NA +C02623 2,2-Dialkylglycine C2H3NO2R2 264.1838 NA KEGG NA NA +C07526 Tetracaine C15H24N2O2 264.1838 NA KEGG NA NA +C10749 Ammothamnine C15H24N2O2 264.1838 NA KEGG NA NA +C10769 Lamprolobine C15H24N2O2 264.1838 NA KEGG NA NA +C10776 Nuttalline C15H24N2O2 264.1838 NA KEGG NA NA +C17069 Sophoranol C15H24N2O2 264.1838 NA KEGG NA NA +MJ018788 2,4-Bis(4-ethylphenyl)-1-butene C20H24 264.1878 NA MeJP NA NA +C16344 Heptadecatrienoic acid C17H28O2 264.2089 NA KEGG NA NA +MJ018789 1(6)-Brasilen-2-ol, Ac C17H28O2 264.20893 NA MeJP NA NA +MJ018790 1,3-Dihydroxy-5-undecylbenzene C17H28O2 264.20893 NA MeJP NA NA +MJ018791 1,3-Elemadien-6-ol, Ac C17H28O2 264.20893 NA MeJP NA NA +MJ018792 10-Heptadecen-8-ynoic acid C17H28O2 264.20893 NA MeJP NA NA +MJ018793 11-Eudesmen-4-ol, 4-Ac C17H28O2 264.20893 NA MeJP NA NA +MJ018794 14,15,16-Trinor-13,8-labdanolide; 8?-form C17H28O2 264.20893 NA MeJP NA NA +MJ018795 2-Hexyl-5-pentyl-1,3-benzenediol C17H28O2 264.20893 NA MeJP NA NA +MJ018796 2-Isopropenyl-1-(4-methyl-4-penten-1-yl)cyclobutaneethanol, Ac C17H28O2 264.20893 NA MeJP NA NA +MJ018797 3(15),6-Caryophylladien-14-oic acid, 6?,7-Dihydro, 14-alcohol, 14-Ac C17H28O2 264.20893 NA MeJP NA NA +MJ018798 3,10(14)-Germacradien-3-ol, Ac C17H28O2 264.20893 NA MeJP NA NA +MJ018799 3-(11-Dodecenyl)-5-methyl-2(5H)-furanone C17H28O2 264.20893 NA MeJP NA NA +MJ018800 5,9,12-Heptadecatrienoic acid C17H28O2 264.20893 NA MeJP NA NA +MJ018801 6-Isopropenyl-3,9-dimethyl-3,9-decadien-1-ol, Ac C17H28O2 264.20893 NA MeJP NA NA +MJ018802 8(12)-Drimen-11-ol, Ac C17H28O2 264.20893 NA MeJP NA NA +MJ018803 Sesquilavandulol, Ac C17H28O2 264.20893 NA MeJP NA NA +MJ018804 10-Hydroxymethylsparteine C16H28N2O 264.220163 NA MeJP NA NA +MJ018805 2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form, Monodeoxy C16H28N2O 264.220163 NA MeJP NA NA +MJ018806 Huperzine J; N-De-Me C16H28N2O 264.220163 NA MeJP NA NA +MJ018807 Lycocernuine; Deoxo C16H28N2O 264.220163 NA MeJP NA NA +MJ018808 11,14-Octadecadienal C18H32O 264.245315 NA MeJP NA NA +MJ018809 14,15-Dinor-4(18)-cleroden-13-one; ent-form, 13?-Alcohol C18H32O 264.245315 NA MeJP NA NA +MJ018810 15,16-Dinor-8-labden-14-ol C18H32O 264.245315 NA MeJP NA NA +MJ018811 2,13-Octadecadienal C18H32O 264.245315 NA MeJP NA NA +MJ018812 4-Methyl-7,11-heptadecadienoic acid, Aldehyde C18H32O 264.245315 NA MeJP NA NA +MJ018813 6,7-Epoxy-3,9-octadecadiene C18H32O 264.245315 NA MeJP NA NA +MJ018814 9,12-Octadecadienal C18H32O 264.245315 NA MeJP NA NA +MJ018815 Phlegmarine; Na-Me C17H32N2 264.256549 NA MeJP NA NA +MJ018816 Phlegmarine; Nb-Me C17H32N2 264.256549 NA MeJP NA NA +MJ018817 6,9-Nonadecadiene C19H36 264.281701 NA MeJP NA NA +MJ018818 2-Amino-4,6-dibromophenol C6H5Br2NO 264.873789 NA MeJP NA NA +MJ018819 3-(6-Bromo-1H-indol-3-yl)-2-propenoic acid C11H8BrNO2 264.973841 NA MeJP NA NA +MJ018820 2-Amino-5-bromo-4-hydroxy-6-phenylpyrimidine C10H8BrN3O 264.985074 NA MeJP NA NA +C13127 Bropirimine C10H8BrN3O 264.9851 NA KEGG NA NA +C13128 Transferred to D01667 C10H8BrN3O 264.9851 NA KEGG NA NA +MJ018821 Hydroxysaclofen C9H12ClNO4S 265.017556 NA MeJP NA NA +MJ018822 Dopan C9H13Cl2N3O2 265.038482 NA MeJP NA NA +MetaCyc02380 F-PU [N-(2-chloro-4-pyridyl)-N'-5-fluoro-phenylurea;] C12H9N3O1F1CL1 265.041818 NA metacyc NA NA +MJ018823 Erythropterin C9H7N5O5 265.044718 NA MeJP NA NA +HMDB01915 Alendronic acid C5H17NO7P2 265.048 http://www.hmdb.ca/metabolites/HMDB01915 HMDB NA NA +HMDB01915 Alendronic acid C5H17NO7P2 265.048 HMDB01915 PFEM_hmdb_metabocards_official NA NA +MJ018824 Mimosamycin; 1,4-Dihydroxy C12H11NO6 265.058637 NA MeJP NA NA +MJ018825 Nitecapone C12H11NO6 265.058637 NA MeJP NA NA +MJ018826 1-[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine C10H11ClF3N3 265.059359 NA MeJP NA NA +MJ018827 Eflumast C10H8FN5O3 265.061117 NA MeJP NA NA +MJ018828 Amphethinile C15H11N3S 265.067368 NA MeJP NA NA +MJ018829 Ascorbic acid, 5,6-O-Benzylidene (deutero analogue) C13H11DO6 265.069664 NA MeJP NA NA +C16625 Isoniazid alpha-ketoglutaric acid C11H11N3O5 265.0699 NA KEGG NA NA +PJ000125 GSC C8H15N3O5S 265.0733 NA PeJP NA NA +MJ018830 1,2-Dihydroxydibenz[cd,f]indol-4(5H)-one; 1-Me ether C16H11NO3 265.073893 NA MeJP NA NA +MJ018831 1,2-Dihydroxydibenz[cd,f]indol-4(5H)-one; 2-Me ether C16H11NO3 265.073893 NA MeJP NA NA +MJ018832 3-Hydroxy-2-phenyl-4-quinolinecarboxylic acid C16H11NO3 265.073893 NA MeJP NA NA +MJ018833 5-(3,4-Methylenedioxyphenyl)-2-phenyloxazole C16H11NO3 265.073893 NA MeJP NA NA +MJ018834 Anhydrolycorin-7-one C16H11NO3 265.073893 NA MeJP NA NA +MJ018835 Furofoline C16H11NO3 265.073893 NA MeJP NA NA +MJ018836 Pratorinine C16H11NO3 265.073893 NA MeJP NA NA +MJ018837 Ungeremine C16H11NO3 265.073893 NA MeJP NA NA +C10681 Furofoline I C16H11NO3 265.0739 NA KEGG NA NA +C12250 Anhydrolycorinone C16H11NO3 265.0739 NA KEGG NA NA +C11500 5'-Dehydroadenosine C10H11N5O4 265.0811 NA KEGG NA NA +MJ018838 Furodazole C15H11N3O2 265.085126 NA MeJP NA NA +MJ018839 Albendazole C12H15N3O2S 265.088497 NA MeJP NA NA +MetaCyc02381 albendazole [] C12H15N3O2S1 265.088497 54965-21-8 metacyc NA NA +C01779 Albendazole C12H15N3O2S 265.0885 NA KEGG NA NA +MJ018840 Streptozotocin C8H15N3O7 265.090999 NA MeJP NA NA +C07313 Streptozocin C8H15N3O7 265.091 NA KEGG NA NA +C07314 Sucralfate C12H14O11R8 265.091 NA KEGG NA NA +MJ018841 2-Amino-3-hydroxybutanoic acid, N-(4-Hydroxycinnamoyl) C13H15NO5 265.095022 NA MeJP NA NA +MJ018842 2-Aminobenzoic acid; N-[3-(Methoxycarbonyl)propanoyl], Me ester C13H15NO5 265.095022 NA MeJP NA NA +MJ018843 Xanthicin C13H15NO5 265.095022 NA MeJP NA NA +7944 synthetic peptide YYW 265.1025 MH2+ Inhouse_peptide NA peptide +7962 synthetic peptide WYY 265.1025 MH2+ Inhouse_peptide NA peptide +7964 synthetic peptide YWY 265.1025 MH2+ Inhouse_peptide NA peptide +MJ018844 Agaritine, 7'-Aldehyde C12H15N3O4 265.106255 NA MeJP NA NA +MJ018845 2,3-Epoxy-6,8-nonadiynoic acid; (Z)-2-Phenylethenylamide C17H15NO2 265.110278 NA MeJP NA NA +MJ018846 4,7-Dihydroxy-2-phenylquinoline; NH-form, 7-Me ether, N-Me C17H15NO2 265.110278 NA MeJP NA NA +MJ018847 Anonaine C17H15NO2 265.110278 NA MeJP NA NA +MJ018848 Inicarone C17H15NO2 265.110278 NA MeJP NA NA +MJ018849 Vasconine C17H16NO2(+) 265.110278 NA MeJP NA NA +C09339 (-)-Annonaine C17H15NO2 265.1103 NA KEGG NA NA +C14597 2,3-Bis(p-methoxyphenyl)acrylonitrile C17H15NO2 265.1103 NA KEGG NA NA +EUR205 Thiamin C12H17N4OS 265.1123 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00235 Thiamine C12H17N4OS 265.1123 http://www.hmdb.ca/metabolites/HMDB00235 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR205 Thiamin C12H17N4OS 265.1123 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR205 Thiamin C12H17N4OS 265.1123 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00235 Thiamine C12H17N4OS 265.1123 http://www.hmdb.ca/metabolites/HMDB00235 HMDB NA NA +EUR205 Thiamin C12H17N4OS 265.1123 Wishlist Inhousejuil11 NA NA +C00378 Thiamine C12H17N4OS 265.1123 NA KEGG NA NA +HMDB00235 Thiamine C12H17N4OS 265.1123 http://www.hmdb.ca/metabolites/HMDB00235 PFEM_hmdb_metabocards_blood NA blood +HMDB00235 Thiamine C12H17N4OS 265.1123 HMDB00235 PFEM_hmdb_metabocards_official NA NA +HMDB00235 Thiamine C12H17N4OS 265.112305 NA HMDB2010 NA NA +MJ018850 Thiamin C12H17N4OS 265.112306 NA MeJP NA NA +MetaCyc02382 thiamine [thiamin;vitamin B1;] C12H17N4O1S1 265.112307 59-43-8 metacyc NA NA +EUR205 Thiamin C12H17N4OS 265.112308 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR205 Thiamin C12H17N4OS 265.112308 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR205 Thiamin C12H17N4OS 265.112308 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR205 Thiamin C12H17N4OS 265.112308 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR205 Thiamin C12H17N4OS 265.112308 Wishlist HMDB NA NA +EUR205 Thiamin C12H17N4OS 265.112308 Wishlist Inhouse_PFEM NA NA +EUR205 Thiamin C12H17N4OS 265.112308 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR205 Thiamin C12H17N4OS 265.112308 Wishlist PFEM_hmdb_metabocards_official NA NA +CJpos0662 Phenylacetylglutamine [(M+H)]+ (13C) C1213CH17N2O4 265.113775 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0662 Phenylacetylglutamine [(M+H)]+ (13C) C1213CH17N2O4 265.113775 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJneg0484 Phenylacetylglutamine [(M-H)]- (13C) C1213CH15N2O4 265.114925 C18rt(min)=5.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0485 N-Acetyl-5-hydroxytryptamine (N-Acetyl-serotonine) [(M-H)+(HCOOH)]- (13C) C1213CH15N2O4 265.114925 C18rt(min)=5.64 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0484 Phenylacetylglutamine [(M-H)]- (13C) C1213CH15N2O4 265.114925 C18rt(min)=5.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0485 N-Acetyl-5-hydroxytryptamine (N-Acetyl-serotonine) [(M-H)+(HCOOH)]- (13C) C1213CH15N2O4 265.114925 C18rt(min)=5.64 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ018851 1-[(3-Carboxypropyl)amino]-1-deoxyfructose C10H19NO7 265.116151 NA MeJP NA NA +MJ018852 Aristeromycin C11H15N5O3 265.117489 NA MeJP NA NA +MJ018853 Lobucavir C11H15N5O3 265.117489 NA MeJP NA NA +C03795 N6-Methyl-2'-deoxyadenosine C11H15N5O3 265.1175 NA KEGG NA NA +MJ018854 N-(4-Acetyl-1-piperazinyl)-4-fluorobenzamide C13H16FN3O2 265.122654 NA MeJP NA NA +C04335 N(alpha)-Benzyloxycarbonyl-L-leucine C14H19NO4 265.1314 NA KEGG NA NA +C11281 Anisomycin C14H19NO4 265.1314 NA KEGG NA NA +MJ018855 1,2,3,4-Tetrahydro-5,6,7,8-tetramethoxy-1-methylisoquinoline; 1,2-Didehydro C14H19NO4 265.131408 NA MeJP NA NA +MJ018856 1,2,3,4-Tetrahydro-6,7,8-trimethoxy-1-methylisoquinoline, 2-Formyl C14H19NO4 265.131408 NA MeJP NA NA +MJ018857 Anisomycin C14H19NO4 265.131408 NA MeJP NA NA +MJ018858 Densinine C14H19NO4 265.131408 NA MeJP NA NA +MJ018859 Filenadol C14H19NO4 265.131408 NA MeJP NA NA +MJ018860 Fumariflorine; Et ester C14H19NO4 265.131408 NA MeJP NA NA +MJ018861 2-Decene-6,8-diynoic acid, 2-Phenylethylamide C18H19NO 265.146664 NA MeJP NA NA +MJ018862 3-Hydroxy-6-methyl-4-prenylcarbazole C18H19NO 265.146664 NA MeJP NA NA +MJ018863 Mukoenine A C18H19NO 265.146664 NA MeJP NA NA +MJ018864 N-2-Phenylethylcinnamamide, N-Me C18H19NO 265.146664 NA MeJP NA NA +MJ018865 Siamenol C18H19NO 265.146664 NA MeJP NA NA +C14526 Esprocarb C15H23NOS 265.15 NA KEGG NA NA +MJ018866 4-(1-Methyl-2-piperidyl)-?-carboline C17H19N3 265.157897 NA MeJP NA NA +MJ018867 Antazoline C17H19N3 265.157897 NA MeJP NA NA +MJ018868 Brevicolline C17H19N3 265.157897 NA MeJP NA NA +MJ018869 Delergotrile C17H19N3 265.157897 NA MeJP NA NA +MJ018870 Mirtazapine C17H19N3 265.157897 NA MeJP NA NA +C07570 Mirtazapine C17H19N3 265.1579 NA KEGG NA NA +C09083 Brevicolline C17H19N3 265.1579 NA KEGG NA NA +MJ018871 Silperisone C15H24FNSi 265.166204 NA MeJP NA NA +MJ018872 3-(3,4-Dihydroxyphenyl)propanoic acid; Di-Me ether, 2-methylpropylamide C15H23NO3 265.167793 NA MeJP NA NA +MJ018873 Deoxynupharidine, 6,7?-Dihydroxy C15H23NO3 265.167793 NA MeJP NA NA +MJ018874 Deoxynupharidine, 6,7?-Dihydroxy C15H23NO3 265.167793 NA MeJP NA NA +MJ018875 Ethomoxane C15H23NO3 265.167793 NA MeJP NA NA +MJ018876 Oxprenolol C15H23NO3 265.167793 NA MeJP NA NA +MJ018877 Parethoxycaine C15H23NO3 265.167793 NA MeJP NA NA +MJ018878 Similin B C15H23NO3 265.167793 NA MeJP NA NA +MJ018879 Trimoxamine C15H23NO3 265.167793 NA MeJP NA NA +MJ018880 Trikentramine C19H23N 265.183049 NA MeJP NA NA +C11698 UH-301 C16H24FNO 265.1842 NA KEGG NA NA +MJ018881 3-Formamido-7(14),9-bisaboladien-8-ol C16H27NO2 265.204179 NA MeJP NA NA +MJ018882 Fawcettiine, O-De-Ac C16H27NO2 265.204179 NA MeJP NA NA +MJ018883 Lycoclavine; O-De-Ac C16H27NO2 265.204179 NA MeJP NA NA +MJ018884 Nupharamine, Me ether C16H27NO2 265.204179 NA MeJP NA NA +MJ018885 Paniculine; O-De-Ac C16H27NO2 265.204179 NA MeJP NA NA +MJ018886 2,4-Tridecadienoic acid, 2-Methylpropylamide C17H31NO 265.240564 NA MeJP NA NA +MJ018887 3-(6-Hydroxyheptyl)-5-propylpyrrolizidine, Ketone C17H31NO 265.240564 NA MeJP NA NA +MJ018888 Myrtecaine C17H31NO 265.240564 NA MeJP NA NA +MJ018889 1,1-Dibromo-3,3-dichloro-1-propene C3H2Br2Cl2 265.79003 NA MeJP NA NA +C16248 2,6-Dibromohydroquinone C6H4Br2O2 265.8578 NA KEGG NA NA +MJ018890 2,4-Dibromo-1,3-benzenediol C6H4Br2O2 265.857804 NA MeJP NA NA +MJ018891 2,6-Dibromo-1,4-benzenediol C6H4Br2O2 265.857804 NA MeJP NA NA +MJ018892 3,5-Dibromo-1,2-benzenediol C6H4Br2O2 265.857804 NA MeJP NA NA +MJ018893 4,5-Dibromo-1,3-benzenediol C6H4Br2O2 265.857804 NA MeJP NA NA +MJ018894 4,5-Dibromo-1H-pyrrole-2-carboxylic acid; Amide C5H4Br2N2O 265.869038 NA MeJP NA NA +MJ018895 3-Bromo-5-hydroxy-2-methyl-1,4-naphthoquinone C11H7BrO3 265.957856 NA MeJP NA NA +HMDB01270 Glyceric acid 1,3-biphosphate C3H8O10P2 265.959259 NA HMDB2010 NA NA +HMDB01294 2,3-Diphosphoglyceric acid C3H8O10P2 265.959259 NA HMDB2010 NA NA +HMDB01270 Glyceric acid 1,3-biphosphate C3H8O10P2 265.95926 http://www.hmdb.ca/metabolites/HMDB01270 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01294 2,3-Diphosphoglyceric acid C3H8O10P2 265.95926 http://www.hmdb.ca/metabolites/HMDB01294 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01270 Glyceric acid 1,3-biphosphate C3H8O10P2 265.95926 http://www.hmdb.ca/metabolites/HMDB01270 HMDB NA NA +HMDB01294 2,3-Diphosphoglyceric acid C3H8O10P2 265.95926 http://www.hmdb.ca/metabolites/HMDB01294 HMDB NA NA +HMDB01270 Glyceric acid 1,3-biphosphate C3H8O10P2 265.95926 http://www.hmdb.ca/metabolites/HMDB01270 PFEM_hmdb_metabocards_blood NA blood +HMDB01294 2,3-Diphosphoglyceric acid C3H8O10P2 265.95926 http://www.hmdb.ca/metabolites/HMDB01294 PFEM_hmdb_metabocards_blood NA blood +HMDB01270 Glyceric acid 1,3-biphosphate C3H8O10P2 265.95926 HMDB01270 PFEM_hmdb_metabocards_official NA NA +HMDB01294 2,3-Diphosphoglyceric acid C3H8O10P2 265.95926 HMDB01294 PFEM_hmdb_metabocards_official NA NA +MJ018896 2,3-Bisphospho-D-glycerate C3H8O10P2 265.959269 NA MeJP NA NA +MJ018897 3-Phospho-D-glyceroyl phosphate C3H8O10P2 265.959269 NA MeJP NA NA +MetaCyc02383 1,3-diphosphateglycerate [glycerate 1,3-diphosphate;3-phospho-D-glyceroyl-phosphate;3-phosphoglyceroyl-P;P-glyceroyl-P;phosphoglyceroyl-P;3-phosphoglyceroyl-phosphate;3-P-glyceroyl-P;DPG;13-DPG;glycerate 1,3-bisphosphate;1,3-biphosphoglycerate;] C3H8O10P2 265.959269 1981-49-3 metacyc NA NA +MetaCyc02384 2,3-diphosphoglycerate [2,3-biphosphoglycerate;D-Greenwald ester;2,3-P2-D-glycerate;2,3-bisphospho-D-glycerate;2,3-diphospho-D-glycerate;DPG;] C3H8O10P2 265.959269 NA metacyc NA NA +C00236 3-Phospho-D-glyceroyl phosphate C3H8O10P2 265.9593 NA KEGG NA NA +C01159 2,3-Bisphospho-D-glycerate C3H8O10P2 265.9593 NA KEGG NA NA +C03339 2,3-Bisphosphoglycerate C3H8O10P2 265.9593 NA KEGG NA NA +MJ018898 3-(3-Bromo-2-nitrophenyl)-1H-pyrrole C10H7BrN2O2 265.96909 NA MeJP NA NA +MJ018899 7,8-Dichloro-1-hydroxy-9-methyl-?-carboline C12H8Cl2N2O 266.001368 NA MeJP NA NA +MJ018900 Mesulfamide C7H10N2O5S2 266.003112 NA MeJP NA NA +MJ018901 Cryptosporiopsinol C10H12Cl2O4 266.011264 NA MeJP NA NA +MJ018902 Lachnumol A C10H12Cl2O4 266.011264 NA MeJP NA NA +C06639 2,2-Bis(4'-chlorophenyl)ethanol C14H12Cl2O 266.0265 NA KEGG NA NA +C14905 2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol C14H12Cl2O 266.0265 NA KEGG NA NA +MJ018903 2,2-Bis(4'-chlorophenyl)ethanol C14H12Cl2O 266.02652 NA MeJP NA NA +MJ018904 Orpanoxin C13H11ClO4 266.034586 NA MeJP NA NA +C10999 4,4'-Methylene-bis-(2-chloroaniline) C13H12Cl2N2 266.0378 NA KEGG NA NA +MJ018905 5-Bromotryptamine; Nb,Nb-Di-Me C12H15BrN2 266.041861 NA MeJP NA NA +MJ018906 2-Ethyl-3,5,6,7,8-pentahydroxy-1,4-naphthoquinone C12H10O7 266.042652 NA MeJP NA NA +MJ018907 5-(2,4,6-Trihydroxyphenoxy)-1,2,3-benzenetriol C12H10O7 266.042652 NA MeJP NA NA +MJ018908 6-Ethyl-2,3,5,7,8-pentahydroxy-1,4-naphthoquinone C12H10O7 266.042652 NA MeJP NA NA +MJ018909 Hydroxypropanedioic acid; 2-O-(4-Hydroxycinnamoyl)(E-) C12H10O7 266.042652 NA MeJP NA NA +CJpos0663 Pseudouridine [(M+Na)]+ C9H12N2NaO6 266.050975 C18rt(min)=1.05 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0663 Pseudouridine [(M+Na)]+ C9H12N2NaO6 266.050975 C18rt(min)=1.05 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ018910 4-(Methylthio)canthin-6-one C15H10N2OS 266.051383 NA MeJP NA NA +MetaCyc02385 2-amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine [] C9H8N5O5 266.052543 NA metacyc NA NA +MJ018911 Brassinin; 4-Methoxy C12H14N2OS2 266.054754 NA MeJP NA NA +MJ018912 Brassinin; N1-Methoxy C12H14N2OS2 266.054754 NA MeJP NA NA +C08506 Methoxybrassinin C12H14N2OS2 266.0548 NA KEGG NA NA +MJ018913 4'-Trifluoromethyl-2-biphenylcarboxylic acid C14H9F3O2 266.055464 NA MeJP NA NA +MJ018914 Fenobam C11H11ClN4O2 266.057053 NA MeJP NA NA +MJ018915 4,4'-Biphenyldiglyoxaldehyde C16H10O4 266.057908 NA MeJP NA NA +MJ018916 Aristololide; Demethoxy, 9,10?-dihydro C16H10O4 266.057908 NA MeJP NA NA +MJ018917 3-Phenyl-2-propenoic acid, 3-(Methylsulfonyl)-2-propenyl ester (E-) C13H14O4S 266.061279 NA MeJP NA NA +MJ018918 5,6-Diethoxybenzo[b]thiophene-2-carboxylic acid C13H14O4S 266.061279 NA MeJP NA NA +MJ018919 6,7-Dihydroxy-5-methyl-4-(methylthio)-2H-1-benzopyran-2-one; Di-Me ether C13H14O4S 266.061279 NA MeJP NA NA +MJ018920 Orazipone C13H14O4S 266.061279 NA MeJP NA NA +MJ018921 3-O-(1-Carboxyethyl)glucuronic acid C9H14O9 266.063782 NA MeJP NA NA +MJ018922 4-O-(1-Carboxyethyl)glucuronic acid C9H14O9 266.063782 NA MeJP NA NA +C01993 5'-Oxoinosine C10H10N4O5 266.0651 NA KEGG NA NA +C01994 AMP-ubiquitin C10H10N4O5 266.0651 NA KEGG NA NA +MetaCyc02386 9-riburonosylhypoxanthine [] C10H10N4O5 266.065119 NA metacyc NA NA +MetaCyc02387 5'-dehydroinosine [5'-oxoinosine;] C10H10N4O5 266.065119 NA metacyc NA NA +MetaCyc02388 nitecapone [3-(3,4-dihydroxy-5-nitrobenzylidiene)-2,4-pentanedione;] C12H12N1O6 266.066462 NA metacyc NA NA +C12120 6-Acetophenazine-1-carboxylic acid C15H10N2O3 266.0691 NA KEGG NA NA +C16606 Carbamazepine-o-quinone C15H10N2O3 266.0691 NA KEGG NA NA +C17879 Nigakinone C15H10N2O3 266.0691 NA KEGG NA NA +MJ018923 1,11-Dimethoxycanthin-6-one; O11-De-Me C15H10N2O3 266.069142 NA MeJP NA NA +MJ018924 1-Hydroxy-11-methoxycanthin-6-one C15H10N2O3 266.069142 NA MeJP NA NA +MJ018925 1-Hydroxycanthin-6-one; Me ether, N-oxide C15H10N2O3 266.069142 NA MeJP NA NA +MJ018926 10-Hydroxy-9-methoxycanthin-6-one C15H10N2O3 266.069142 NA MeJP NA NA +MJ018927 11-Hydroxy-10-methoxycanthin-6-one C15H10N2O3 266.069142 NA MeJP NA NA +MJ018928 3H-Indolo[3,2,1-de][1,5]naphthyridine-2,6-dione; N3-Methoxy C15H10N2O3 266.069142 NA MeJP NA NA +MJ018929 4-Quinazolinol; 3H-form, N-(2-Carboxyphenyl) C15H10N2O3 266.069142 NA MeJP NA NA +MJ018930 6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; Ketone C15H10N2O3 266.069142 NA MeJP NA NA +MJ018931 8-Hydroxy-9-methoxycanthin-6-one C15H10N2O3 266.069142 NA MeJP NA NA +MJ018932 9-Hydroxycanthin-6-one; Me ether, N3-oxide C15H10N2O3 266.069142 NA MeJP NA NA +MJ018933 Indacanthinone C15H10N2O3 266.069142 NA MeJP NA NA +MJ018934 Nigakinone C15H10N2O3 266.069142 NA MeJP NA NA +MJ018935 Picrasidine Q C15H10N2O3 266.069142 NA MeJP NA NA +MJ018936 Texaline C15H10N2O3 266.069142 NA MeJP NA NA +MJ018937 4-Hydroxy-4-(4-methoxyphenyl)-1-methyl-5-thioxo-2-imidazolidinone, Me ether C12H14N2O3S 266.072513 NA MeJP NA NA +MJ018938 Tioxidazole C12H14N2O3S 266.072513 NA MeJP NA NA +MJ018939 Tiprinast C12H14N2O3S 266.072513 NA MeJP NA NA +MetaCyc02389 indole-S-cysteine-adduct [] C12H14N2O3S1 266.072513 NA metacyc NA NA +MJ018940 2,3-Dihydroxypropanoic acid, 3-O-(p-Hydroxycinnamoyl), Me ester C13H14O6 266.079038 NA MeJP NA NA +MJ018941 3,4-Dihydro-5,6,7,8-tetrahydroxy-3-methyl-1H-2-benzopyran-1-one, 7,8-Methylene, 5,6-di-Me ether C13H14O6 266.079038 NA MeJP NA NA +MJ018942 5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; Tetra-Me ether C13H14O6 266.079038 NA MeJP NA NA +MJ018943 5-(4-Carboxy-2,6-dihydroxyphenyl)-4-pentenoic acid, Me ester C13H14O6 266.079038 NA MeJP NA NA +MJ018944 Antafumicin A C13H14O6 266.079038 NA MeJP NA NA +MJ018945 Arthrinone; Deepoxy, 1-deoxy, 3a?-hydroxy C13H14O6 266.079038 NA MeJP NA NA +MJ018946 Baxitozine C13H14O6 266.079038 NA MeJP NA NA +MJ018947 Diaporthin, 3'-Hydroxy C13H14O6 266.079038 NA MeJP NA NA +MJ018948 Dihydrocitrinone C13H14O6 266.079038 NA MeJP NA NA +MJ018949 Djalonensin C13H14O6 266.079038 NA MeJP NA NA +MJ018950 Jensenone C13H14O6 266.079038 NA MeJP NA NA +MJ018951 Luisol B C13H14O6 266.079038 NA MeJP NA NA +MJ018952 Multiforisin A; Ac C13H14O6 266.079038 NA MeJP NA NA +MJ018953 Ruakuric acid C13H14O6 266.079038 NA MeJP NA NA +C12189 Ungeremine C16H12NO3 266.0817 NA KEGG NA NA +MJ018954 Acromelic acid B; 2'-Decarboxy C12H14N2O5 266.090271 NA MeJP NA NA +MetaCyc02390 p-aminobenzoyl glutamate [] C12H14N2O5 266.090272 NA metacyc NA NA +FLIA19NM0002 7-Methoxy-2-methylisoflavone C17H14O3 266.09429 19725-44-1 knapsack NA NA +MJ018955 1-(3,4-Dihydroxyphenyl)-5-(4-hydroxyphenyl)-1-penten-4-yne C17H14O3 266.094294 NA MeJP NA NA +MJ018956 2,3-Bis(4-hydroxyphenyl)-2-cyclopentene-1-one C17H14O3 266.094294 NA MeJP NA NA +MJ018957 2-(4-Hydroxyphenyl)-5-(1-propenyl)benzofuran; 2'-Hydroxy C17H14O3 266.094294 NA MeJP NA NA +MJ018958 3-Benzyl-4-phenyl-2,5-furandione; 2?-Alcohol C17H14O3 266.094294 NA MeJP NA NA +MJ018959 4-[5-(4-Hydroxyphenoxy)-3-penten-1-ynyl]phenol C17H14O3 266.094294 NA MeJP NA NA +MJ018960 5-Methoxy-6-methyl-2-phenyl-7H-1-benzopyran-7-one C17H14O3 266.094294 NA MeJP NA NA +MJ018961 6-Hydroxy-1-phenyl-2,4-hexadiyn-1-one; O-(3-Methyl-2-butenoyl) C17H14O3 266.094294 NA MeJP NA NA +MJ018962 6-Hydroxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one C17H14O3 266.094294 NA MeJP NA NA +MJ018963 7-Hydroxy-2-methylisoflavone; Me ether C17H14O3 266.094294 NA MeJP NA NA +MJ018964 9,10-Dimethoxy-2-anthracenecarboxaldehyde C17H14O3 266.094294 NA MeJP NA NA +MJ018965 Benzarone C17H14O3 266.094294 NA MeJP NA NA +MJ018966 Furaprofen C17H14O3 266.094294 NA MeJP NA NA +MJ018967 Sterehirsutinal C17H14O3 266.094294 NA MeJP NA NA +MJ018968 Xylocoumarol C17H14O3 266.094294 NA MeJP NA NA +C14474 Benzarone C17H14O3 266.0943 NA KEGG NA NA +C02957 8-Oxodeoxycoformycin C11H14N4O4 266.1015 NA KEGG NA NA +C02960 Ceramide 1-phosphate C19H37NO6PR 266.1015 NA KEGG NA NA +MJ018969 5'-Deoxy-2'-C-methylinosine C11H14N4O4 266.101504 NA MeJP NA NA +MJ018970 6-Methylnebularine C11H14N4O4 266.101504 NA MeJP NA NA +MJ018971 9-Deazaadenosine C11H14N4O4 266.101504 NA MeJP NA NA +MJ018972 Antibiotic 3671 C11H14N4O4 266.101504 NA MeJP NA NA +MJ018973 Aristeromycin M; 5'-Hydroxy C11H14N4O4 266.101504 NA MeJP NA NA +MJ018974 Doxofylline C11H14N4O4 266.101504 NA MeJP NA NA +MJ018975 Tubercidin C11H14N4O4 266.101504 NA MeJP NA NA +MJ018976 Doliracetam C16H14N2O2 266.105527 NA MeJP NA NA +MJ018977 Harmalanine C16H14N2O2 266.105527 NA MeJP NA NA +MJ018978 Miroprofen C16H14N2O2 266.105527 NA MeJP NA NA +MJ018979 Onitin; 9-Deoxy, 9-chloro C15H19ClO2 266.107357 NA MeJP NA NA +MJ018980 Pterosin D, 4-Deoxy, 4-chloro C15H19ClO2 266.107357 NA MeJP NA NA +MJ018981 Pterosin K C15H19ClO2 266.107357 NA MeJP NA NA +MJ018982 2-Amino-2'-deoxyadenosine C10H14N6O3 266.112738 NA MeJP NA NA +MJ018983 3'-Amino-3'-deoxyadenosine C10H14N6O3 266.112738 NA MeJP NA NA +MJ018984 3'-Azido-2',3'-dideoxy-5-methylcytidine C10H14N6O3 266.112738 NA MeJP NA NA +MJ018985 3-(7-Amino-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol C10H14N6O3 266.112738 NA MeJP NA NA +MJ018986 9-(2-Amino-2-deoxyribofuranosyl)adenine; ?-D-form C10H14N6O3 266.112738 NA MeJP NA NA +MJ018987 Antibiotic SS 237 C10H14N6O3 266.112738 NA MeJP NA NA +MJ018988 Aramine C10H14N6O3 266.112738 NA MeJP NA NA +CJpos0664 Phenylacetylglutamine [(M+H)]+ (18O) C13H17N2O318O 266.114675 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0664 Phenylacetylglutamine [(M+H)]+ (18O) C13H17N2O318O 266.114675 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +8185 ACE inhibitor TF 266.115 NA ;SYN:1 methylhistidine; 1-methyl histidine; 1-MHis; 1-Methyl-Histidine; 1-Methyl-L-histidine; 1-N-Methyl-L-histidine; L-1-Methylhistidine; N1-Methyl-L-histidine; pi-methylhistidineH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +MJ018989 1-(2,3,4,6-Tetrahydroxyphenyl)-2-buten-1-one, Tetra-Me ether C14H18O5 266.115423 NA MeJP NA NA +MJ018990 2,3-Dihydro-2,5,7-trihydroxy-2-isopropyl-6-methyl-4H-1-benzopyran-4-one; 7-Me ether C14H18O5 266.115423 NA MeJP NA NA +MJ018991 2,3-Dihydro-2,5,7-trihydroxy-2-isopropyl-8-methyl-4H-1-benzopyran-4-one; 7-Me ether C14H18O5 266.115423 NA MeJP NA NA +MJ018992 2,4,6-Trihydroxy-3-methyl-5-(3-methyl-1-oxopentyl)benzaldehyde C14H18O5 266.115423 NA MeJP NA NA +MJ018993 3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3',4',5'-Tri-Me ether, Ac C14H18O5 266.115423 NA MeJP NA NA +MJ018994 3-Nor-4-oxo-3,4-seco-1(10),11(13)-eremophiladiene-2,12-dioic acid C14H18O5 266.115423 NA MeJP NA NA +MJ018995 4-Hydroxynorpsilotropin; 4?-form C14H18O5 266.115423 NA MeJP NA NA +MJ018996 5-Acetyl-2,3-dihydro-4,6-dihydroxy-2-(2-hydroxyisopropyl)benzofuran, 4-Me ether C14H18O5 266.115423 NA MeJP NA NA +MJ018997 Deliquinone; 2,9-Epoxide C14H18O5 266.115423 NA MeJP NA NA +MJ018998 Gilmicolin C14H18O5 266.115423 NA MeJP NA NA +MJ018999 Glutinosol C14H18O5 266.115423 NA MeJP NA NA +MJ019000 Gregatin E C14H18O5 266.115423 NA MeJP NA NA +MJ019001 Lachnumlactone A C14H18O5 266.115423 NA MeJP NA NA +MJ019002 Oxformasine C14H18O5 266.115423 NA MeJP NA NA +MJ019003 Papyracone B; 2'-Ketone C14H18O5 266.115423 NA MeJP NA NA +MJ019004 Papyracone B; ?3-Isomer, 2'-ketone C14H18O5 266.115423 NA MeJP NA NA +MJ019005 Pterosin T; 12-Hydroxy C14H18O5 266.115423 NA MeJP NA NA +MJ019006 Pterosin T; 15-Hydroxy C14H18O5 266.115423 NA MeJP NA NA +MJ019007 Setulosopterosin C14H18O5 266.115423 NA MeJP NA NA +MJ019008 Trichocolein; 3',4'-Epoxide C14H18O5 266.115423 NA MeJP NA NA +MJ019009 Vertinolide; 1'?-Hydroxy C14H18O5 266.115423 NA MeJP NA NA +CJneg0486 Phenylacetylglutamine [(M-H)]- (18O) C13H15N2O318O 266.115825 C18rt(min)=5.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0487 N-Acetyl-5-hydroxytryptamine (N-Acetyl-serotonine) [(M-H)+(HCOOH)]- (18O) C13H15N2O318O 266.115825 C18rt(min)=5.64 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0486 Phenylacetylglutamine [(M-H)]- (18O) C13H15N2O318O 266.115825 C18rt(min)=5.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0487 N-Acetyl-5-hydroxytryptamine (N-Acetyl-serotonine) [(M-H)+(HCOOH)]- (18O) C13H15N2O318O 266.115825 C18rt(min)=5.64 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ019010 Fepitrizol C15H14N4O 266.116761 NA MeJP NA NA +MJ019011 N-(1-Methyl-1H-indol-5-yl)-N'-3-pyridinylurea C15H14N4O 266.116761 NA MeJP NA NA +MJ019012 Nevirapine C15H14N4O 266.116761 NA MeJP NA NA +C07263 Nevirapine C15H14N4O 266.1168 NA KEGG NA NA +C11739 SB 200646 C15H14N4O 266.1168 NA KEGG NA NA +C12188 Vasconine C17H16NO2 266.1181 NA KEGG NA NA +3980 ACE inhibitor VAGTW 266.126 MH2+ Inhouse_peptide NA peptide +3397 ACE inhibitor (fr, of b-casein, 140-143) LQSW 266.1265 MH2+ Inhouse_peptide NA peptide +MJ019013 1-[3-Hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(1-propenyl)-2,4(1H,3H)-pyrimidinedione C13H18N2O4 266.126657 NA MeJP NA NA +MJ019014 2-(4-Hydroxy-3-nitrophenyl)ethylamine; N-(3-Methylbutanoyl) C13H18N2O4 266.126657 NA MeJP NA NA +MJ019015 5-Octanoylamino-2,3,6(1H)-pyridinetrione C13H18N2O4 266.126657 NA MeJP NA NA +MJ019016 ?-Glutamyltyramine C13H18N2O4 266.126657 NA MeJP NA NA +MJ019017 Glutamine, N5-(4-Methoxybenzyl) C13H18N2O4 266.126657 NA MeJP NA NA +PJ000126 TF C13H18N2O4 266.1267 NA PeJP NA NA +MJ019018 2,2-Dimethyl-5-phenyl-2H-1-benzopyran-7-ol; Me ether C18H18O2 266.130679 NA MeJP NA NA +MJ019019 2,2-Dimethyl-7-phenyl-2H-1-benzopyran-5-ol; Me ether C18H18O2 266.130679 NA MeJP NA NA +MJ019020 3',5-Di(2-propenyl)-2,4'-biphenyldiol C18H18O2 266.130679 NA MeJP NA NA +MJ019021 3,5-Tridecadiene-7,9,11-triyn-1-ol, 3-Methyl-2-butenoyl C18H18O2 266.130679 NA MeJP NA NA +MJ019022 3-Hydroxyestra-1,3,5,7,9-pentaen-17-one C18H18O2 266.130679 NA MeJP NA NA +MJ019023 3-Phenyl-2-propen-1-ol, (3-Phenylpropanoyl) C18H18O2 266.130679 NA MeJP NA NA +MJ019024 4-Methylenemiltirone C18H18O2 266.130679 NA MeJP NA NA +MJ019025 9,10-Dihydro-1,7-dihydroxy-2,8-dimethyl-4-vinylphenanthrene C18H18O2 266.130679 NA MeJP NA NA +MJ019026 9,10-Dihydro-2,3-dihydroxy-1,7-dimethyl-5-vinylphenanthrene C18H18O2 266.130679 NA MeJP NA NA +MJ019027 9,10-Dihydro-2,7-dihydroxy-1,6-dimethyl-5-vinylphenanthrene C18H18O2 266.130679 NA MeJP NA NA +MJ019028 9,10-Dihydro-2,7-dihydroxy-1,8-dimethyl-4-vinylphenanthrene C18H18O2 266.130679 NA MeJP NA NA +MJ019029 9,10-Dihydro-2,8-dihydroxy-1,6-dimethyl-5-vinylphenanthrene C18H18O2 266.130679 NA MeJP NA NA +MJ019030 9,10-Dihydro-2-hydroxy-6-(hydroxymethyl)-1-methyl-5-vinylphenanthrene C18H18O2 266.130679 NA MeJP NA NA +MJ019031 9,10-Dihydro-2-hydroxy-7-(hydroxymethyl)-1-methyl-5-vinylphenanthrene C18H18O2 266.130679 NA MeJP NA NA +MJ019032 Anolignan B C18H18O2 266.130679 NA MeJP NA NA +MJ019033 Conocarpan C18H18O2 266.130679 NA MeJP NA NA +MJ019034 Demetric acid C18H18O2 266.130679 NA MeJP NA NA +MJ019035 Dienestrol C18H18O2 266.130679 NA MeJP NA NA +MJ019036 Hinokiresinol, 4'-Me ether C18H18O2 266.130679 NA MeJP NA NA +MJ019037 Indenestrol A C18H18O2 266.130679 NA MeJP NA NA +MJ019038 Indenestrol B C18H18O2 266.130679 NA MeJP NA NA +MJ019039 Isoequilenin C18H18O2 266.130679 NA MeJP NA NA +MJ019040 Isomagnolol C18H18O2 266.130679 NA MeJP NA NA +MJ019041 Magnolol C18H18O2 266.130679 NA MeJP NA NA +MJ019042 Xenyhexenic acid C18H18O2 266.130679 NA MeJP NA NA +C08090 Dienestrol C18H18O2 266.1307 NA KEGG NA NA +C10630 Honokiol C18H18O2 266.1307 NA KEGG NA NA +C10651 Magnolol C18H18O2 266.1307 NA KEGG NA NA +C14303 Equilenin C18H18O2 266.1307 NA KEGG NA NA +C14545 (S)-Indenestrol A C18H18O2 266.1307 NA KEGG NA NA +C14546 (R)-Indenestrol A C18H18O2 266.1307 NA KEGG NA NA +C14547 (S)-Indenestrol B C18H18O2 266.1307 NA KEGG NA NA +C14548 (R)-Indenestrol B C18H18O2 266.1307 NA KEGG NA NA +MJ019043 2,4-Pentanediol, 2-O-?-D-Glucopyranoside C11H22O7 266.136553 NA MeJP NA NA +C09052 Borreline C17H18N2O 266.1419 NA KEGG NA NA +MJ019044 Borreline C17H18N2O 266.141913 NA MeJP NA NA +MJ019045 Ervaticine C17H18N2O 266.141913 NA MeJP NA NA +MJ019046 Guatambuine, 3-Hydroxy, N-De-Me C17H18N2O 266.141913 NA MeJP NA NA +C09702 Mukaadial C15H22O4 266.1518 NA KEGG NA NA +C09717 Rugosal C15H22O4 266.1518 NA KEGG NA NA +C10840 Zinniol C15H22O4 266.1518 NA KEGG NA NA +C13454 Xanthoxic acid C15H22O4 266.1518 NA KEGG NA NA +MJ019047 1,10-Dihydroxy-11(13)-eremophilen-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019048 1,10-Dihydroxy-3-guaien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019049 1,10-Epoxy-11(13)-eremophilen-12,8-olide, 2?-Hydroxy, 11?,13-dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019050 1,10-Epoxy-11(13)-eremophilen-12,8-olide, 2?-Hydroxy, 11?,13-dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019051 1,10-Epoxy-11(13)-eremophilen-12,8-olide, 3?-Hydroxy, 11?,13-dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019052 1,10:4,5-Diepoxy-11(13)-germacren-12,8-olide, 11?,13?-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019053 1,10:4,5-Diepoxy-11(13)-germacren-12,8-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019054 1,15-Dihydroxy-11(13)-eudesmen-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019055 1,2-Dihydroxy-4(15)-eudesmen-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019056 1,3,7-Trihydroxy-2(9)-illuden-8-one C15H22O4 266.151809 NA MeJP NA NA +MJ019057 1,3-Dihydroxy-12,6-eudesmanolide, 3-Ketone C15H22O4 266.151809 NA MeJP NA NA +MJ019058 1,3-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019059 1,3-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019060 1,3-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019061 1,3-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019062 1,3-Dihydroxy-4,9-germacradien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019063 1,3-Dihydroxy-4-eudesmen-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019064 1,3-Dihydroxy-5,11(13)-eudesmadien-12-oic acid C15H22O4 266.151809 NA MeJP NA NA +MJ019065 1,4-Dihydroxy-11(13)-eudesmen-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019066 1,4-Dihydroxy-11(13)-eudesmen-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019067 1,4-Dihydroxy-11(13)-pseudoguaien-12-oic acid, 4-Ketone C15H22O4 266.151809 NA MeJP NA NA +MJ019068 1,4-Dihydroxy-5-eudesmen-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019069 1,4-Epoxy-5-hydroxy-10(14)-germacren-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019070 1,4:4,5-Diepoxy-11(13)-xanthen-12-oic acid C15H22O4 266.151809 NA MeJP NA NA +MJ019071 1,5-Dihydroxy-3-eudesmen-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019072 1,5-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019073 1,5-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019074 1,5-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019075 1,6-Dihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019076 1,6-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019077 1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019078 1,7-Dihydroxy-1,3,5-bisabolatrien-15-oic acid C15H22O4 266.151809 NA MeJP NA NA +MJ019079 1,8-Dihydroxy-3-eudesmen-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019080 1,8-Dihydroxy-4(15)-eudesmen-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019081 1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019082 1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019083 1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019084 1,8-Dihydroxy-4,9-germacradien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019085 1,9-Dihydroxy-3-eudesmen-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019086 1,9-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019087 1,9-Dihydroxy-4(15),11(13)-eudesmadien-12-oic acid C15H22O4 266.151809 NA MeJP NA NA +MJ019088 1,9-Dihydroxy-4,10(14)-germacradien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019089 1,9-Dihydroxy-5,11(13)-eudesmadien-12-oic acid C15H22O4 266.151809 NA MeJP NA NA +MJ019090 10,14-Dihydroxy-4(15)-guaien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019091 10,14-Epoxy-4(15)-guaien-12,6-olide, 3?-Hydroxy, 4?,15-dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019092 10-Hydroxy-3-oxo-12,6-guaianolide C15H22O4 266.151809 NA MeJP NA NA +MJ019093 10-Hydroxy-4-oxo-12,6-pseudoguaianolide C15H22O4 266.151809 NA MeJP NA NA +MJ019094 11,15-Dihydroxy-1,3-elemadien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019095 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019096 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019097 2,3-Dihydroxy-5,11(13)-eudesmadien-12-oic acid C15H22O4 266.151809 NA MeJP NA NA +MJ019098 2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019099 2,4-Dihydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019100 2,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019101 2,4-Dihydroxy-5,11(13)-guaiadien-12,8-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019102 2,5,13-Trihydroxy-6-protoilluden-8-one C15H22O4 266.151809 NA MeJP NA NA +MJ019103 2,7-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019104 2,8-Dihydroxy-4(6)-lactaren-5,14-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019105 2,8-Dihydroxy-4,10(14)-germacradien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019106 2-Hydroxy-5-eudesmen-12,8-olide, 11?-Hydroxy C15H22O4 266.151809 NA MeJP NA NA +MJ019107 3,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019108 3,10-Dihydroxy-4,11(13)-muuroladien-12-oic acid C15H22O4 266.151809 NA MeJP NA NA +MJ019109 3,10-Dihydroxy-7(11)-eremophilen-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019110 3,11,12-Trihydroxy-6,9-eremophiladien-8-one C15H22O4 266.151809 NA MeJP NA NA +MJ019111 3,14-Dihydroxy-1(10),4-germacradien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019112 3,14-Dihydroxy-7-drimen-12,11-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019113 3,15-Dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 11,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019114 3,4-Dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019115 3,4-Dihydroxy-11(13)-pseudoguaien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019116 3,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019117 3,4-Dihydroxy-7-eudesmen-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019118 3,4-Dihydroxy-9-guaien-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019119 3,4-Epoxy-1-hydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019120 3,5-Dihydroxy-4(15),11(13)-eudesmadien-12-oic acid C15H22O4 266.151809 NA MeJP NA NA +MJ019121 3,5-Dihydroxy-4(15)-eudesmen-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019122 3,5-Dihydroxy-6,7-megastigmadien-9-one; 3-Ac C15H22O4 266.151809 NA MeJP NA NA +MJ019123 3,6-Dihydroxy-1(10),4-germacradien-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019124 3,7-Dihydroxy-4-eudesmen-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019125 3,8,14-Trihydroxy-6-lactaren-5,14-olide, 14-Deoxy C15H22O4 266.151809 NA MeJP NA NA +MJ019126 3,8-Dihydroxy-1(10),4-germacradien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019127 3,8-Dihydroxy-10(14)-guaien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019128 3,8-Dihydroxy-4(15),9,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019129 3,8-Dihydroxy-4(15),9,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019130 3,8-Dihydroxy-4(15)-guaien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019131 3,8-Dihydroxy-4,9,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019132 3,9-Dihydroxy-10(14)-guaien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019133 3,9-Dihydroxy-4,10(14)-germacradien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019134 3,9-Dihydroxy-4-eudesmen-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019135 3,9-Dihydroxy-7-drimen-12,11-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019136 3-(3,4-Dihydroxyphenyl)-1-propanol; 1-O-(4-Methylpentanoyl) C15H22O4 266.151809 NA MeJP NA NA +MJ019137 3-(3,4-Dihydroxyphenyl)propanoic acid; 4-Methylpentyl ester C15H22O4 266.151809 NA MeJP NA NA +MJ019138 3-Hydroxy-1(10),4-germacradien-12,6-olide, 1?,10?-Epoxide C15H22O4 266.151809 NA MeJP NA NA +MJ019139 4,10-Dihydroxy-11(13)-guaien-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019140 4,10-Dihydroxy-2,11(13)-guaiadien-12,6-olide, 2,3-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019141 4,10-Dihydroxy-4,5-seco-1(5),11(13)-guaiadien-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019142 4,10-Dihydroxy-7(11)-guaien-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019143 4,10-Epoxy-3-hydroxy-12,8-guaianolide C15H22O4 266.151809 NA MeJP NA NA +MJ019144 4,13-Dihydroxy-7(11)-eudesmadien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019145 4,15-Dihydroxy-11(13)-pseudoguaien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019146 4,15-Dihydroxy-11(13)-pseudoguaien-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019147 4,15-Scirpenediol C15H22O4 266.151809 NA MeJP NA NA +MJ019148 4,5-Bis(hydroxymethyl)-2-methyl-1,3-benzenediol; O3-Me, O1-(3-methyl-2-butenyl) C15H22O4 266.151809 NA MeJP NA NA +MJ019149 4,5-Dihydroxy-11(13)-guaien-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019150 4,5-Dioxo-4,5-seco-11(13)-cadinen-12-oic acid C15H22O4 266.151809 NA MeJP NA NA +MJ019151 4,5-Epoxy-2-hydroxy-1(10)-germacren-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019152 4,5-Epoxy-3-hydroxy-1(10)-germacren-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019153 4,5-Epoxy-6-hydroxy-1(10),11(13)-germacradien-12,8-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019154 4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019155 4,5-Epoxy-9-hydroxy-1(10),11(13)-germacradien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019156 4,6-Dihydroxy-11(13)-eudesmen-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019157 4,7-Dihydroxy-11(13)-eudesmen-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019158 4,7-Scirpenediol C15H22O4 266.151809 NA MeJP NA NA +MJ019159 4,8-Dihydroxy-11(13)-eudesmen-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019160 4,8-Dihydroxy-6-lactaren-14,5-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019161 4,9-Dihydroxy-1(5),11(13)-xanthadien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019162 4,9-Epoxy-5-hydroxy-11(13)-germacren-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019163 4-Hydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone, 11,13-dihydro, 11?-hydroxy C15H22O4 266.151809 NA MeJP NA NA +MJ019164 5,14-Epoxy-5,7(14)-lactaradiene-3,8,12-triol C15H22O4 266.151809 NA MeJP NA NA +MJ019165 5,7-Dihydroxy-p-menth-1(6)-en-2-one, 7-Tigloyl C15H22O4 266.151809 NA MeJP NA NA +MJ019166 5,7-Epoxy-11-oxo-6,7-seco-6,7-pinguisanolide C15H22O4 266.151809 NA MeJP NA NA +MJ019167 5,9-Dihydroxy-4(15),11(13)-eudesmadien-12-oic acid C15H22O4 266.151809 NA MeJP NA NA +MJ019168 5,9-Dihydroxy-4(15)-eudesmen-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019169 5-(1,3-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid C15H22O4 266.151809 NA MeJP NA NA +MJ019170 5-(1,4-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid C15H22O4 266.151809 NA MeJP NA NA +MJ019171 5-Hydroxy-14-oxo-3-cedren-15-oic acid, 14-Alcohol C15H22O4 266.151809 NA MeJP NA NA +MJ019172 6,7-Dihydroxy-8-drimen-11,12-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019173 6,7-Dihydroxy-8-drimen-12,11-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019174 6,8-Dihydroxy-7(11)-eremophilen-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019175 6,9-Dihydroxy-3(15)-caryophyllene-4,8-dione C15H22O4 266.151809 NA MeJP NA NA +MJ019176 6,9-Dihydroxy-7-drimen-12,11-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019177 6,9-Dihydroxy-7-drimene-11,12-dial C15H22O4 266.151809 NA MeJP NA NA +MJ019178 6-Hydroxy-2-sterpuren-12-oic acid; 14-Hydroxy C15H22O4 266.151809 NA MeJP NA NA +MJ019179 6-Protoilludene-4,5,8,14-tetrol, 5-Ketone C15H22O4 266.151809 NA MeJP NA NA +MJ019180 7,10-Epidioxy-6-hydroxy-1(5)-guaien-2-one C15H22O4 266.151809 NA MeJP NA NA +MJ019181 7,11-Dihydroxy-8-drimen-12,11-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019182 7,13-Dihydroxy-4-eudesmen-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019183 7,8-Dihydroxy-4(6)-lactaren-5,14-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019184 7,8-Dihydroxy-5,14-marasmanolide C15H22O4 266.151809 NA MeJP NA NA +MJ019185 7,8:8,12:11,12-Triepoxy-1-eremophilanol C15H22O4 266.151809 NA MeJP NA NA +MJ019186 7-Hydroperoxy-4(15)-eudesmen-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019187 8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019188 8,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019189 8,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019190 8,10-Dihydroxy-7(11)-eremophilen-12,8-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019191 8,14-Dihydroxy-1(10),4-germacradien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019192 8,15-Dihydroxy-1(10),4-germacradien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019193 8,15-Dihydroxy-1,3-elemadien-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019194 8,15-Dihydroxy-2,6,10-farnesatrien-1,15-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019195 8,9-Dihydroxy-4(15),11(13)-eudesmadien-12-oic acid C15H22O4 266.151809 NA MeJP NA NA +MJ019196 8-Hydroxy-3-oxo-1(10)-germacren-12,6-olide C15H22O4 266.151809 NA MeJP NA NA +MJ019197 8-Hydroxy-3-oxo-12,6-eudesmanolide C15H22O4 266.151809 NA MeJP NA NA +MJ019198 8-Hydroxy-4(6)-lactaren-5,14-olide, 12-Hydroxy C15H22O4 266.151809 NA MeJP NA NA +MJ019199 9,11-Epoxy-3,10(14)-guaiadiene C15H22O4 266.151809 NA MeJP NA NA +MJ019200 9,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H22O4 266.151809 NA MeJP NA NA +MJ019201 9,15-Dihydroxy-2,6-humuladiene-5,10-dione C15H22O4 266.151809 NA MeJP NA NA +MJ019202 9-(4-Hydroxyphenyl)nonanoic acid; 3'-Hydroxy C15H22O4 266.151809 NA MeJP NA NA +MJ019203 Abscisic acid, 3?-Alcohol C15H22O4 266.151809 NA MeJP NA NA +MJ019204 Abscisic acid, 3?-Alcohol C15H22O4 266.151809 NA MeJP NA NA +MJ019205 Adhumulinic acid C15H22O4 266.151809 NA MeJP NA NA +MJ019206 Alliacolide C15H22O4 266.151809 NA MeJP NA NA +MJ019207 Antibiotic 1771A C15H22O4 266.151809 NA MeJP NA NA +MJ019208 Aspterric acid C15H22O4 266.151809 NA MeJP NA NA +MJ019209 Athanagrandione C15H22O4 266.151809 NA MeJP NA NA +MJ019210 Avenaciolide C15H22O4 266.151809 NA MeJP NA NA +MJ019211 Brefeldin B C15H22O4 266.151809 NA MeJP NA NA +MJ019212 Clitocybulol A; 7?-Hydroxy C15H22O4 266.151809 NA MeJP NA NA +MJ019213 Curvularol C15H22O4 266.151809 NA MeJP NA NA +MJ019214 Cyperanic acid C15H22O4 266.151809 NA MeJP NA NA +MJ019215 Deoxyartemisinin C15H22O4 266.151809 NA MeJP NA NA +MJ019216 Fukinolidiol C15H22O4 266.151809 NA MeJP NA NA +MJ019217 Furanoeremophilane-1,6,10-triol C15H22O4 266.151809 NA MeJP NA NA +MJ019218 Gloeophyllol D C15H22O4 266.151809 NA MeJP NA NA +MJ019219 Humulinic acid C C15H22O4 266.151809 NA MeJP NA NA +MJ019220 Humulinic acid D C15H22O4 266.151809 NA MeJP NA NA +MJ019221 Humulinic acid C15H22O4 266.151809 NA MeJP NA NA +MJ019222 Hymenoxon; 3-Deoxy, 8-epimer C15H22O4 266.151809 NA MeJP NA NA +MJ019223 Illicinone H C15H22O4 266.151809 NA MeJP NA NA +MJ019224 Illifunone C15H22O4 266.151809 NA MeJP NA NA +MJ019225 Ipomeamaronol C15H22O4 266.151809 NA MeJP NA NA +MJ019226 Isoleptospermone C15H22O4 266.151809 NA MeJP NA NA +MJ019227 Ivalbin C15H22O4 266.151809 NA MeJP NA NA +MJ019228 Ivambrin C15H22O4 266.151809 NA MeJP NA NA +MJ019229 Kanshone B C15H22O4 266.151809 NA MeJP NA NA +MJ019230 Kanshone D C15H22O4 266.151809 NA MeJP NA NA +MJ019231 Lactarorufin C C15H22O4 266.151809 NA MeJP NA NA +MJ019232 Leptospermone C15H22O4 266.151809 NA MeJP NA NA +MJ019233 Marasmene; 1?,15-Dihydroxy C15H22O4 266.151809 NA MeJP NA NA +MJ019234 Marasmene; 3?,15-Dihydroxy C15H22O4 266.151809 NA MeJP NA NA +MJ019235 Massarinolin B C15H22O4 266.151809 NA MeJP NA NA +MJ019236 Massarinolin C C15H22O4 266.151809 NA MeJP NA NA +MJ019237 Michampanolide C15H22O4 266.151809 NA MeJP NA NA +MJ019238 Pernetic acid D C15H22O4 266.151809 NA MeJP NA NA +MJ019239 Rugosal A C15H22O4 266.151809 NA MeJP NA NA +MJ019240 Rugosal D C15H22O4 266.151809 NA MeJP NA NA +MJ019241 Sambucinol C15H22O4 266.151809 NA MeJP NA NA +MJ019242 Sambucoin; 8?-Hydroxy C15H22O4 266.151809 NA MeJP NA NA +MJ019243 Sambucoin; 8?-Hydroxy C15H22O4 266.151809 NA MeJP NA NA +MJ019244 Shonachalin B C15H22O4 266.151809 NA MeJP NA NA +MJ019245 Sporol C15H22O4 266.151809 NA MeJP NA NA +MJ019246 Themoidin C15H22O4 266.151809 NA MeJP NA NA +MJ019247 Versicolactone C C15H22O4 266.151809 NA MeJP NA NA +MJ019248 Zafronic acid C15H22O4 266.151809 NA MeJP NA NA +MJ019249 1-Dodecyl sulfate C12H26O4S 266.15518 NA MeJP NA NA +MJ019250 2,4,6-Trimethyl-1-nonanol; O-Sulfate C12H26O4S 266.15518 NA MeJP NA NA +C11696 Practolol C14H22N2O3 266.163 NA KEGG NA NA +HMDB01924 Atenolol C14H22N2O3 266.16302 http://www.hmdb.ca/metabolites/HMDB01924 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01924 Atenolol C14H22N2O3 266.16302 http://www.hmdb.ca/metabolites/HMDB01924 HMDB NA NA +HMDB01924 Atenolol C14H22N2O3 266.16302 http://www.hmdb.ca/metabolites/HMDB01924 PFEM_hmdb_metabocards_blood NA blood +HMDB01924 Atenolol C14H22N2O3 266.16302 HMDB01924 PFEM_hmdb_metabocards_official NA NA +MJ019251 Atenolol C14H22N2O3 266.163042 NA MeJP NA NA +MJ019252 Bucolome C14H22N2O3 266.163042 NA MeJP NA NA +MJ019253 Practolol C14H22N2O3 266.163042 NA MeJP NA NA +MJ019254 Trimetazidine C14H22N2O3 266.163042 NA MeJP NA NA +HMDB01924 Atenolol C14H22N2O3 266.163055 NA HMDB2010 NA NA +C14439 Tributyl phosphate C12H27O4P 266.1647 NA KEGG NA NA +MJ019255 1,3-Bis(4-ethylphenyl)-1-propanone C19H22O 266.167065 NA MeJP NA NA +MJ019256 1,7-Diphenyl-6-hepten-3-ol C19H22O 266.167065 NA MeJP NA NA +MJ019257 2-(3-Methyl-2-butenyl)-5-(2-phenylethyl)-1,3-benzenediol; Deoxy C19H22O 266.167065 NA MeJP NA NA +MJ019258 Aspidospermatidine C18H22N2 266.178298 NA MeJP NA NA +MJ019259 Cyclizine C18H22N2 266.178298 NA MeJP NA NA +MJ019260 Delfaprazine C18H22N2 266.178298 NA MeJP NA NA +MJ019261 Desipramine C18H22N2 266.178298 NA MeJP NA NA +MJ019262 Mezepine C18H22N2 266.178298 NA MeJP NA NA +MJ019263 Sifaprazine C18H22N2 266.178298 NA MeJP NA NA +MJ019264 Tubifolidine; 1,2-Didehydro C18H22N2 266.178298 NA MeJP NA NA +MJ019265 Uleine C18H22N2 266.178298 NA MeJP NA NA +C06930 Cyclizine C18H22N2 266.1783 NA KEGG NA NA +C06943 Desipramine C18H22N2 266.1783 NA KEGG NA NA +MJ019266 10-Hydroxy-7,11,13-hexadecatrienoic acid C16H26O3 266.188194 NA MeJP NA NA +MJ019267 11-(2-Cyclopentenyl)undecanoic acid, 4'-Oxo C16H26O3 266.188194 NA MeJP NA NA +MJ019268 11-Hydroxy-2,9-bisaboladien-15-oic acid, Me ester C16H26O3 266.188194 NA MeJP NA NA +MJ019269 12-Hydroxy-13,14,15,16-tetranor-1(10)-halimen-18-oic acid; ent-form C16H26O3 266.188194 NA MeJP NA NA +MJ019270 13,14,15,16-Tetranor-12,8-labdanolide; 8?-form, 3?-Hydroxy C16H26O3 266.188194 NA MeJP NA NA +MJ019271 13,14,15,16-Tetranor-12,8-labdanolide; 8?-form, 6?-Hydroxy C16H26O3 266.188194 NA MeJP NA NA +MJ019272 13,14,15,16-Tetranor-3-clerodene-12,18-diol; ent-form, 12-Carboxylic acid C16H26O3 266.188194 NA MeJP NA NA +MJ019273 17-Hydroxy-13,14,15,16-tetranor-7-labden-12-oic acid; ent-form C16H26O3 266.188194 NA MeJP NA NA +MJ019274 3,4-Dihydroxy-1,10-bisaboladien-9-one, 3-Me ether C16H26O3 266.188194 NA MeJP NA NA +MJ019275 3,7,11-Trimethyl-10-oxo-2,6-dodecadienoic acid, Me ester C16H26O3 266.188194 NA MeJP NA NA +MJ019276 3-Oxo-2-(2-pentenyl)-1-cyclopentanehexanoic acid C16H26O3 266.188194 NA MeJP NA NA +MJ019277 4,10-Dihydroxy-7(11)-guaien-8-one, 10-Me ether C16H26O3 266.188194 NA MeJP NA NA +MJ019278 4-Hydroxy-11(13)-eudesmen-12-oic acid; 4?-form, Me ester C16H26O3 266.188194 NA MeJP NA NA +MJ019279 4-Muurolene-7,15-diol, 15-Carboxylic acid, Me ester C16H26O3 266.188194 NA MeJP NA NA +MJ019280 6,12-Epoxy-1(10),4-germacradiene-8,12-diol, 12-Me ether C16H26O3 266.188194 NA MeJP NA NA +MJ019281 7-Hydroxy-2,10-bisaboladien-15-oic acid, Me ester C16H26O3 266.188194 NA MeJP NA NA +MJ019282 7-Hydroxy-8,10,13-hexadecatrienoic acid C16H26O3 266.188194 NA MeJP NA NA +MJ019283 9-Oxo-2-bisabolen-15-oic acid, Me ester C16H26O3 266.188194 NA MeJP NA NA +MJ019284 Antibiotic Ro 09-1547 C16H26O3 266.188194 NA MeJP NA NA +MJ019285 Antibiotic Ro 09-1549 C16H26O3 266.188194 NA MeJP NA NA +MJ019286 Diversifolol C16H26O3 266.188194 NA MeJP NA NA +MJ019287 Pallescensolide; 3,3a-Dihydro C16H26O3 266.188194 NA MeJP NA NA +MJ019288 Phomodiol C16H26O3 266.188194 NA MeJP NA NA +MJ019289 Raspailynes; Raspailyne B2 C16H26O3 266.188194 NA MeJP NA NA +MetaCyc02391 (2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate [] C16H26O3 266.188195 NA metacyc NA NA +C04834 (2E,6E)-(10R,11S)-10,11-Epoxy-3,7,11-trimethyltrideca-2,6-dienoic C16H26O3 266.1882 NA KEGG NA NA +C09693 Juvabione C16H26O3 266.1882 NA KEGG NA NA +C09694 Juvenile hormone III C16H26O3 266.1882 NA KEGG NA NA +MJ019290 Aphyllic acid C15H26N2O2 266.199428 NA MeJP NA NA +MJ019291 Pohakuline C15H26N2O2 266.199428 NA MeJP NA NA +MJ019292 Virgidivarine C15H26N2O2 266.199428 NA MeJP NA NA +MJ019293 1,11,14-Heptadecatriene-8,9-diol C17H30O2 266.22458 NA MeJP NA NA +MJ019294 15-Methyl-5,9-hexadecadienoic acid C17H30O2 266.22458 NA MeJP NA NA +MJ019295 6,9-Heptadecadienoic acid C17H30O2 266.22458 NA MeJP NA NA +MJ019296 6-Isopropyl-3,9-dimethyl-5,8-decadien-1-ol, Ac C17H30O2 266.22458 NA MeJP NA NA +MJ019297 Capensifuranone C17H30O2 266.22458 NA MeJP NA NA +MJ019298 11-Octadecenal C18H34O 266.260965 NA MeJP NA NA +MJ019299 13-Octadecenal C18H34O 266.260965 NA MeJP NA NA +MJ019300 2-(2-Octenyl)-3-octyloxirane C18H34O 266.260965 NA MeJP NA NA +MJ019301 2-Octadecenal C18H34O 266.260965 NA MeJP NA NA +MJ019302 3,13-Octadecadien-1-ol C18H34O 266.260965 NA MeJP NA NA +MJ019303 9-Octadecenal C18H34O 266.260965 NA MeJP NA NA +MJ019304 1-Nonadecene C19H38 266.297351 NA MeJP NA NA +MJ019305 14-Methyl-1-octadecene C19H38 266.297351 NA MeJP NA NA +MJ019306 2,6,10,14-Tetramethyl-1-pentadecene C19H38 266.297351 NA MeJP NA NA +MJ019307 2-Methyl-7-octadecene C19H38 266.297351 NA MeJP NA NA +MJ019308 9-Nonadecene C19H38 266.297351 NA MeJP NA NA +MJ019309 4,5-Dibromo-1H-pyrrole-2-carboxylic acid C5H3Br2NO2 266.853053 NA MeJP NA NA +MJ019310 4,5-Dibromo-1H-pyrrole-2-methanol; Me ether C6H7Br2NO 266.889439 NA MeJP NA NA +C00102 2,6-Dichloroindophenol C12H7Cl2NO2 266.9854 NA KEGG NA NA +MJ019311 6-Bromo-1H-indole-3-acetic acid; Me ester C11H10BrNO2 266.989491 NA MeJP NA NA +MJ019312 6-Bromo-1H-indole-3-carboxylic acid; Et ester C11H10BrNO2 266.989491 NA MeJP NA NA +MJ019313 Tambjamine A; 5'-Bromo C10H10BrN3O 267.000724 NA MeJP NA NA +MJ019314 Piridronic acid C7H11NO6P2 267.00616 NA MeJP NA NA +MJ019315 2-Furanmethanamine; N-Tri-Me, iodide C8H14INO 267.012007 NA MeJP NA NA +C10956 Oxycarboxin C12H13NO4S 267.0565 NA KEGG NA NA +MJ019316 N,N-Bis(2-chloroethyl)-2-naphthylamine C14H15Cl2N 267.058154 NA MeJP NA NA +C15411 beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride C14H14ClN 267.0582 NA KEGG NA NA +C16446 Chlornaphazine C14H15Cl2N 267.0582 NA KEGG NA NA +HMDB01410 2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine C9H9N5O5 267.06036 http://www.hmdb.ca/metabolites/HMDB01410 HMDB NA NA +HMDB01410 2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine C9H9N5O5 267.06036 HMDB01410 PFEM_hmdb_metabocards_official NA NA +HMDB01410 2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine C9H9N5O5 267.060364 NA HMDB2010 NA NA +MJ019317 Sulfafurazole C11H13N3O3S 267.067761 NA MeJP NA NA +MJ019318 Sulfamoxole C11H13N3O3S 267.067761 NA MeJP NA NA +MJ019319 Sulfatroxazole C11H13N3O3S 267.067761 NA MeJP NA NA +C07318 Sulfisoxazole C11H13N3O3S 267.0678 NA KEGG NA NA +MJ019320 Antibiotic A 58365A C12H13NO6 267.074287 NA MeJP NA NA +MJ019321 Glutamic acid, N-(4-Hydroxybenzoyl) C12H13NO6 267.074287 NA MeJP NA NA +MJ019322 S-Ribosyl-L-homocysteine C9H17NO6S 267.077658 NA MeJP NA NA +MetaCyc02392 S-ribosyl-L-homocysteine [S-Ribosylhomocysteine;Ribose-5-S-homocysteine;S-Ribosyl-L-homocysteine;S-D-ribosyl-L-homocysteine;ribose-5-S-homocysteine;S-ribosylhomocysteine;S-(5-deoxy-D-ribos-5-yl)-L-homocysteine;] C9H17N1O6S1 267.077658 37558-16-0 metacyc NA NA +C03539 S-Ribosyl-L-homocysteine C9H17NO6S 267.0777 NA KEGG NA NA +C03541 Tetrahydrofolyl-[Glu](n) C19H23N7O6 267.0777 NA KEGG NA NA +C03544 [Xanthine dehydrogenase] C19H23N7O6 267.0777 NA KEGG NA NA +MJ019323 5-Ethynyl-1-?-D-ribofuranosyl-1H-imidazole-4-carboxamide C11H13N3O5 267.08552 NA MeJP NA NA +MJ019324 7-Deazainosine C11H13N3O5 267.08552 NA MeJP NA NA +MJ019325 9-Deazainosine C11H13N3O5 267.08552 NA MeJP NA NA +MJ019326 Propenidazole C11H13N3O5 267.08552 NA MeJP NA NA +MJ019327 Pyrrolosine C11H13N3O5 267.08552 NA MeJP NA NA +MJ019328 2'-Amino-3'-hydroxyflavone; Me ether C16H13NO3 267.089543 NA MeJP NA NA +MJ019329 Anhydrolycorin-7-one; Deoxo, 4-hydroxy C16H13NO3 267.089543 NA MeJP NA NA +MJ019330 Zefbetaine C16H13NO3 267.089543 NA MeJP NA NA +MJ019331 Antibiotic Tu 3010 C13H17NO3S 267.092914 NA MeJP NA NA +MJ019332 Antibiotic U 68204 C13H17NO3S 267.092914 NA MeJP NA NA +MJ019333 N-[2-(Mercaptomethyl)-1-oxo-3-phenylpropyl]-?-alanine C13H17NO3S 267.092914 NA MeJP NA NA +C06469 Neuraminic acid C9H17NO8 267.0954 NA KEGG NA NA +C08507 Miserotoxin C9H17NO8 267.0954 NA KEGG NA NA +MJ019334 Neuraminic acid C9H17NO8 267.095416 NA MeJP NA NA +HMDB00830 Neuraminic acid C9H17NO8 267.095428 NA HMDB2010 NA NA +HMDB00830 Neuraminic acid C9H17NO8 267.09543 http://www.hmdb.ca/metabolites/HMDB00830 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00830 Neuraminic acid C9H17NO8 267.09543 http://www.hmdb.ca/metabolites/HMDB00830 HMDB NA NA +HMDB00830 Neuraminic acid C9H17NO8 267.09543 http://www.hmdb.ca/metabolites/HMDB00830 PFEM_hmdb_metabocards_blood NA blood +HMDB00830 Neuraminic acid C9H17NO8 267.09543 HMDB00830 PFEM_hmdb_metabocards_official NA NA +CJpos0665 Adenosine [M+H]+ C10H14O4N5 267.096175 C18rt(min)=1.08 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0665 Adenosine [M+H]+ C10H14O4N5 267.096175 C18rt(min)=1.08 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB00050 Adenosine C10H13N5O4 267.09674 http://www.hmdb.ca/metabolites/HMDB00050 PFEM_hmdb_metabocards_urine NA urine +HMDB00085 Deoxyguanosine C10H13N5O4 267.09674 http://www.hmdb.ca/metabolites/HMDB00085 PFEM_hmdb_metabocards_urine NA urine +HMDB00050 Adenosine C10H13N5O4 267.09674 http://www.hmdb.ca/metabolites/HMDB00050 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00085 Deoxyguanosine C10H13N5O4 267.09674 http://www.hmdb.ca/metabolites/HMDB00085 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00050 Adenosine C10H13N5O4 267.09674 http://www.hmdb.ca/metabolites/HMDB00050 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00085 Deoxyguanosine C10H13N5O4 267.09674 http://www.hmdb.ca/metabolites/HMDB00085 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00050 Adenosine C10H13N5O4 267.09674 http://www.hmdb.ca/metabolites/HMDB00050 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00085 Deoxyguanosine C10H13N5O4 267.09674 http://www.hmdb.ca/metabolites/HMDB00085 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00050 Adenosine C10H13N5O4 267.09674 http://www.hmdb.ca/metabolites/HMDB00050 HMDB NA NA +HMDB00085 Deoxyguanosine C10H13N5O4 267.09674 http://www.hmdb.ca/metabolites/HMDB00085 HMDB NA NA +HMDB00050 Adenosine C10H13N5O4 267.09674 http://www.hmdb.ca/metabolites/HMDB00050 PFEM_hmdb_metabocards_blood NA blood +HMDB00085 Deoxyguanosine C10H13N5O4 267.09674 http://www.hmdb.ca/metabolites/HMDB00085 PFEM_hmdb_metabocards_blood NA blood +HMDB00050 Adenosine C10H13N5O4 267.09674 HMDB00050 PFEM_hmdb_metabocards_official NA NA +HMDB00085 Deoxyguanosine C10H13N5O4 267.09674 HMDB00085 PFEM_hmdb_metabocards_official NA NA +HMDB00050 Adenosine C10H13N5O4 267.096741 NA HMDB2010 NA NA +HMDB00085 Deoxyguanosine C10H13N5O4 267.096741 NA HMDB2010 NA NA +MJ019335 Adenosine C10H13N5O4 267.096753 NA MeJP NA NA +MJ019336 Deoxyguanosine C10H13N5O4 267.096753 NA MeJP NA NA +MJ019337 2'-Deoxyribofuranosylguanine; ?-D-form C10H13N5O4 267.096753 NA MeJP NA NA +MJ019338 5'-Deoxyguanosine C10H13N5O4 267.096753 NA MeJP NA NA +MJ019339 7-Ribofuranosyladenine; ?-D-form C10H13N5O4 267.096753 NA MeJP NA NA +MJ019340 7-Ribofuranosyladenine; ?-D-form C10H13N5O4 267.096753 NA MeJP NA NA +MJ019341 9-Arabinofuranosyladenine; ?-D-form C10H13N5O4 267.096753 NA MeJP NA NA +MJ019342 Adenosine C10H13N5O4 267.096753 NA MeJP NA NA +MJ019343 Antibiotic S 685 C10H13N5O4 267.096753 NA MeJP NA NA +MJ019344 Formycin A C10H13N5O4 267.096753 NA MeJP NA NA +MJ019345 Zidovudine C10H13N5O4 267.096753 NA MeJP NA NA +MetaCyc02393 9-riburonosyladenine [2-[(6-amino-4,9-dihydro-1H-purin-9-yl)]-4-hydroxy-5- (hydroxymethyl)tetrahydrofuran-3-one;] C10H13N5O4 267.096754 NA metacyc NA NA +MetaCyc02394 adenosine [adenine-D-ribose;] C10H13N5O4 267.096754 58-61-7 metacyc NA NA +MetaCyc02395 deoxyguanosine [2'-deoxyguanosine;] C10H13N5O4 267.096754 961-07-9 metacyc NA NA +EUR633 Adenosine NA 267.096755 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +EUR633 Adenosine NA 267.096755 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR633 Adenosine NA 267.096755 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR633 Adenosine NA 267.096755 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR633 Adenosine NA 267.096755 identifiés dans standard mixture NuGO HMDB NA NA +EUR633 Adenosine NA 267.096755 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +EUR633 Adenosine NA 267.096755 268.103955 Inhouse_sept12 NA NA +EUR633 Adenosine NA 267.096755 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR633 Adenosine NA 267.096755 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +EUR633 Adenosine [M+H]+ 267.0968 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR633 Adenosine [M+H]+ 267.0968 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR633 Adenosine [M+H]+ 267.0968 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR633 Adenosine [M+H]+ 267.0968 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00212 Adenosine C10H13N5O4 267.0968 NA KEGG NA NA +C00330 Deoxyguanosine C10H13N5O4 267.0968 NA KEGG NA NA +C07210 Zidovudine C10H13N5O4 267.0968 NA KEGG NA NA +MJ019346 Prinomide C15H13N3O2 267.100776 NA MeJP NA NA +C10958 Prinomide C15H13N3O2 267.1008 NA KEGG NA NA +MJ019347 Damotepine C17H17NS 267.10817 NA MeJP NA NA +MJ019348 Tisoquone C17H17NS 267.10817 NA MeJP NA NA +MJ019349 1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxy-1-isoquinolinecarboxylic acid; Me ether C13H17NO5 267.110672 NA MeJP NA NA +MJ019350 2-(Hydroxyacetyl)-1H-pyrrole; N-(2-Acetoxypropyl), O-Ac C13H17NO5 267.110672 NA MeJP NA NA +MJ019351 Gardenamide; N-(2-Hydroxyethyl) C13H17NO5 267.110672 NA MeJP NA NA +MJ019352 Mortivinacin B C13H17NO5 267.110672 NA MeJP NA NA +MJ019353 N-(2,4-Dihydroxy-3,5,6-trimethylbenzoyl)glycine; Me ester C13H17NO5 267.110672 NA MeJP NA NA +MJ019354 Peyoruvic acid C13H17NO5 267.110672 NA MeJP NA NA +MJ019355 Imidoline C13H18ClN3O 267.113839 NA MeJP NA NA +MJ019356 Lincosamine; ?-Pyranose-form, 1-Thio, Me glycoside, 7-Me ether C10H21NO5S 267.114043 NA MeJP NA NA +6988 coeliac toxic peptide QQPY 267.1155 MH2+ Inhouse_peptide NA peptide +C01550 Agaritine C12H17N3O4 267.1219 NA KEGG NA NA +MJ019357 Agaritine C12H17N3O4 267.121906 NA MeJP NA NA +MetaCyc02396 agaritine [] C12H17N3O4 267.121906 2757-90-6 metacyc NA NA +CJneg0488 Butyrylcarnitine [(M+Cl)]- C11H21ClNO4 267.123925 C18rt(min)=4.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0488 Butyrylcarnitine [(M+Cl)]- C11H21ClNO4 267.123925 C18rt(min)=4.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C09368 (-)-Caaverine C17H17NO2 267.1259 NA KEGG NA NA +C12235 Assoanine C17H17NO2 267.1259 NA KEGG NA NA +C14921 3-Oxo-N-phenyl-N-(phenylmethyl)butanamide C17H17NO2 267.1259 NA KEGG NA NA +C15325 6-Azaequilenin C17H17NO2 267.1259 NA KEGG NA NA +MJ019358 2,3-Epoxy-6,8-nonadiynoic acid; 2-Phenylethylamide C17H17NO2 267.125928 NA MeJP NA NA +MJ019359 2-Phenylethylamine; N-(4-Hydroxycinnamoyl)(E-) C17H17NO2 267.125928 NA MeJP NA NA +MJ019360 4-(2-Aminoethyl)phenol; N-Cinnamoyl C17H17NO2 267.125928 NA MeJP NA NA +MJ019361 Apomorphine C17H17NO2 267.125928 NA MeJP NA NA +MJ019362 Assoanine C17H17NO2 267.125928 NA MeJP NA NA +MJ019363 Caaverine C17H17NO2 267.125928 NA MeJP NA NA +MJ019364 Dihydrexidine C17H17NO2 267.125928 NA MeJP NA NA +MJ019365 Etazepine C17H17NO2 267.125928 NA MeJP NA NA +MJ019366 Memotine C17H17NO2 267.125928 NA MeJP NA NA +MJ019367 Nuciferine, O2,N-Di-de-Me C17H17NO2 267.125928 NA MeJP NA NA +MJ019368 Voglibose C10H21NO7 267.131802 NA MeJP NA NA +MJ019369 Cafaminol C11H17N5O3 267.133139 NA MeJP NA NA +MJ019370 3-(5-Methyl-1H-imidazol-4-yl)-1-(1-methyl-1H-indol-3-yl)-1-propanone C16H17N3O 267.137162 NA MeJP NA NA +MJ019371 Lysergic acid, Amide C16H17N3O 267.137162 NA MeJP NA NA +MJ019372 Lysergic acid, C8-Epimer, amide C16H17N3O 267.137162 NA MeJP NA NA +C09160 Ergine C16H17N3O 267.1372 NA KEGG NA NA +MetaCyc02397 L-lysine-p-nitroanilide [] C12H19N4O3 267.145715 NA metacyc NA NA +MJ019373 1,2,3,4-Tetrahydro-5,6,7,8-tetramethoxy-1-methylisoquinoline C14H21NO4 267.147058 NA MeJP NA NA +MJ019374 1,2,3,4-Tetrahydro-5,6,7,8-tetramethoxyisoquinoline; N-Me C14H21NO4 267.147058 NA MeJP NA NA +MJ019375 Ambenoxan C14H21NO4 267.147058 NA MeJP NA NA +MJ019376 Aspersitin C14H21NO4 267.147058 NA MeJP NA NA +MJ019377 Codonopsine C14H21NO4 267.147058 NA MeJP NA NA +MJ019378 Tetraminol C14H21NO4 267.147058 NA MeJP NA NA +MJ019379 Wasabidienone D C14H21NO4 267.147058 NA MeJP NA NA +MJ019380 Choline; O-(3,4-Dimethoxybenzoyl) C14H22NO4(+) 267.147058 NA MeJP NA NA +C10137 Codonopsine C14H21NO4 267.1471 NA KEGG NA NA +C11077 Diethofencarb C14H21NO4 267.1471 NA KEGG NA NA +MJ019381 Carbuterol C13H21N3O3 267.158291 NA MeJP NA NA +MetaCyc02398 glycerylphosphorylcholine [choline glycerophosphate;ethanaminium, 2-(((2,3-dihydroxypropoxy)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, inner salt;] C11H26N1O4P1 267.159945 563-24-6 metacyc NA NA +MJ019382 1-[2-[(1,1'-Biphenyl)-4-yloxy]ethyl]pyrrolidine C18H21NO 267.162314 NA MeJP NA NA +MJ019383 2,4,12-Tetradecatriene-8,10-diynoic acid, Pyrrolidide C18H21NO 267.162314 NA MeJP NA NA +MJ019384 2,4,6,12-Tetradecatetraene-8,10-diynoic acid, 2-Methylpropylamide C18H21NO 267.162314 NA MeJP NA NA +MJ019385 2,8-Decadien-6-ynoic acid, 2-Phenylethylamide C18H21NO 267.162314 NA MeJP NA NA +MJ019386 2-Nonyl-4(1H)-quinolinone; 3',4',6',7'-Tetradehydro C18H21NO 267.162314 NA MeJP NA NA +MJ019387 3,5-Bis(3-methyl-2-butenyl)-1H-indole; ?1''-Isomer, 3'',4''-didehydro, 2'R,3'-epoxide C18H21NO 267.162314 NA MeJP NA NA +MJ019388 ?,?-Diphenyl-2-piperidinemethanol C18H21NO 267.162314 NA MeJP NA NA +MJ019389 ?,?-Diphenyl-3-piperidinemethanol C18H21NO 267.162314 NA MeJP NA NA +MJ019390 ?,?-Diphenyl-4-piperidinemethanol C18H21NO 267.162314 NA MeJP NA NA +MJ019391 Antibiotic G 1499-2 C18H21NO 267.162314 NA MeJP NA NA +MJ019392 Actinidine, N-(4-Hydroxyphenethyl) C18H22NO(+) 267.162314 NA MeJP NA NA +7864 peptide from prawn muscle (Penaeus japonicus) FIKK 267.17 MH2+ Inhouse_peptide NA peptide +C10590 Elaeocarpidine C17H21N3 267.1735 NA KEGG NA NA +MJ019393 Brevicarine C17H21N3 267.173547 NA MeJP NA NA +MJ019394 Elaeocarpidine C17H21N3 267.173547 NA MeJP NA NA +C07202 Metoprolol C15H25NO3 267.1834 NA KEGG NA NA +C07203 Transferred to D00409 C15H25NO3 267.1834 NA KEGG NA NA +HMDB01932 Metoprolol C15H25NO3 267.18344 http://www.hmdb.ca/metabolites/HMDB01932 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01932 Metoprolol C15H25NO3 267.18344 http://www.hmdb.ca/metabolites/HMDB01932 HMDB NA NA +HMDB01932 Metoprolol C15H25NO3 267.18344 http://www.hmdb.ca/metabolites/HMDB01932 PFEM_hmdb_metabocards_blood NA blood +HMDB01932 Metoprolol C15H25NO3 267.18344 HMDB01932 PFEM_hmdb_metabocards_official NA NA +HMDB01932 Metoprolol C15H25NO3 267.183441 NA HMDB2010 NA NA +MJ019395 2-Oxo-1-pyrrolidineacetic acid; 3,3,5-Trimethylcyclohexyl ester C15H25NO3 267.183443 NA MeJP NA NA +MJ019396 Butaxamine C15H25NO3 267.183443 NA MeJP NA NA +MJ019397 Metoprolol C15H25NO3 267.183443 NA MeJP NA NA +MJ019398 Dendrobates Alkaloid 251D; 5'?-Hydroxy C16H29NO2 267.219829 NA MeJP NA NA +MJ019399 Dendrobates Alkaloid 251D; 7?-Hydroxy C16H29NO2 267.219829 NA MeJP NA NA +MJ019400 3-(6-Hydroxyheptyl)-5-propylpyrrolizidine C17H33NO 267.256214 NA MeJP NA NA +MJ019401 6-Ethyl-8-(2-hydroxyethyl)-5-pentylindolizidine C17H33NO 267.256214 NA MeJP NA NA +MJ019402 9-Octadecenylamine C18H37N 267.2926 NA MeJP NA NA +8135 peptide derived from rice (Oryza sativa L,) DHHQ 267.60045 MH2+ Inhouse_peptide NA peptide +7878 peptide from b-casein (ovine milk) YQEP 267.6075 MH2+ Inhouse_peptide NA peptide +3202 chymotrypsin inhibitor TPGVY 267.6255 MH2+ Inhouse_peptide NA peptide +3545 ACE inhibitor VHLAP 267.6495 MH2+ Inhouse_peptide NA peptide +MJ019403 Diiodomethane CH2I2 267.824586 NA MeJP NA NA +MJ019404 3,4-Dibromo-5-methylene-3-cyclopentene-1,2-diol C6H6Br2O2 267.873454 NA MeJP NA NA +MJ019405 Tin(II) tartrate C4H4O6Sn 267.902984 NA MeJP NA NA +C14532 Fenoprop C9H7Cl3O3 267.9461 NA KEGG NA NA +MJ019406 4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol; 1-Deoxy, 1-chloro C12H9ClOS2 267.978333 NA MeJP NA NA +MJ019407 3'-Bromo-4-methoxy-2,2'-bipyrrole-5-carboxaldehyde C10H9BrN2O2 267.98474 NA MeJP NA NA +MJ019408 5'-Bromo-4-methoxy-2,2'-bipyrrole-5-carboxaldehyde C10H9BrN2O2 267.98474 NA MeJP NA NA +C14584 Chlorobenside C13H10Cl2S 267.988 NA KEGG NA NA +MJ019409 Dichlorophen C13H10Cl2O2 268.005784 NA MeJP NA NA +C14292 Dichlorophen C13H10Cl2O2 268.0058 NA KEGG NA NA +MJ019410 Batzelline A; N-De-Me C11H9ClN2O2S 268.007325 NA MeJP NA NA +MJ019411 Hexahydroxy-1,4-naphthoquinone; 2-Me ether C11H8O8 268.021917 NA MeJP NA NA +MJ019412 5-(2,6-Dichlorophenyl)-6-methyl-2,4-pyrimidinediamine C11H10Cl2N4 268.028251 NA MeJP NA NA +MJ019413 Metoprine C11H10Cl2N4 268.028251 NA MeJP NA NA +MJ019414 Antazonite C11H12N2O2S2 268.034019 NA MeJP NA NA +MJ019415 Dioxibrassinin C11H12N2O2S2 268.034019 NA MeJP NA NA +HMDB02326 Coumesterol C15H8O5 268.03717 http://www.hmdb.ca/metabolites/HMDB02326 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02326 Coumesterol C15H8O5 268.03717 http://www.hmdb.ca/metabolites/HMDB02326 HMDB NA NA +FLIE1ANS0001 Coumestrol;Cumestrol;3,9-Dihydroxycoumestan C15H8O5 268.03717 479-13-0 knapsack NA NA +HMDB02326 Coumesterol C15H8O5 268.03717 http://www.hmdb.ca/metabolites/HMDB02326 PFEM_hmdb_metabocards_blood NA blood +HMDB02326 Coumesterol C15H8O5 268.03717 HMDB02326 PFEM_hmdb_metabocards_official NA NA +HMDB02326 Coumesterol C15H8O5 268.03717 NA HMDB2010 NA NA +MJ019416 1,2,5-Trihydroxyanthraquinone; 1,2-Methylene ether C15H8O5 268.037173 NA MeJP NA NA +MJ019417 1,3-Dihydroxyanthraquinone-2-carboxaldehyde C15H8O5 268.037173 NA MeJP NA NA +MJ019418 3-(Hydroxymethyl)furo[3,2-b]naphtho[2,3-d]furan-5,10-dione C15H8O5 268.037173 NA MeJP NA NA +MJ019419 4,5-Dihydroxyanthraquinone-2-carboxylic acid; Aldehyde C15H8O5 268.037173 NA MeJP NA NA +MJ019420 4-Hydroxyanthraquinone-2-carboxylic acid C15H8O5 268.037173 NA MeJP NA NA +MJ019421 Acuminol A; 6-Hydroxy C15H8O5 268.037173 NA MeJP NA NA +MJ019422 Ayamenin B C15H8O5 268.037173 NA MeJP NA NA +MJ019423 Coumestrol C15H8O5 268.037173 NA MeJP NA NA +C10205 Coumestrol C15H8O5 268.0372 NA KEGG NA NA +MJ019424 Nifurtoinol C9H8N4O6 268.044384 NA MeJP NA NA +MJ019425 3,6-Bis(2-methylpropyl)-1,2,4,5-tetrathiane C10H20S4 268.044783 NA MeJP NA NA +C12119 Phenazine-1,6-dicarboxylic acid C14H8N2O4 268.0484 NA KEGG NA NA +MJ019426 1,6-Phenazinedicarboxylic acid C14H8N2O4 268.048406 NA MeJP NA NA +C01817 Homocystine C8H16N2O4S2 268.0551 NA KEGG NA NA +HMDB00575 DL-Homocystine C8H16N2O4S2 268.055145 NA HMDB2010 NA NA +HMDB00676 L-Homocystine C8H16N2O4S2 268.055145 NA HMDB2010 NA NA +MJ019427 Cystine, N,N'-Di-Me C8H16N2O4S2 268.055148 NA MeJP NA NA +MJ019428 Prepsammaplin A C8H16N2O4S2 268.055148 NA MeJP NA NA +MJ019429 Homocystine C8H16N2O4S2 268.055148 NA MeJP NA NA +MetaCyc02399 homocystine [] C8H16N2O4S2 268.055148 462-10-2 metacyc NA NA +HMDB00676 L-Homocystine C8H16N2O4S2 268.05515 http://www.hmdb.ca/metabolites/HMDB00676 PFEM_hmdb_metabocards_urine NA urine +HMDB00575 DL-Homocystine C8H16N2O4S2 268.05515 http://www.hmdb.ca/metabolites/HMDB00575 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00676 L-Homocystine C8H16N2O4S2 268.05515 http://www.hmdb.ca/metabolites/HMDB00676 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00676 L-Homocystine C8H16N2O4S2 268.05515 http://www.hmdb.ca/metabolites/HMDB00676 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00676 L-Homocystine C8H16N2O4S2 268.05515 http://www.hmdb.ca/metabolites/HMDB00676 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00575 DL-Homocystine C8H16N2O4S2 268.05515 http://www.hmdb.ca/metabolites/HMDB00575 HMDB NA NA +HMDB00676 L-Homocystine C8H16N2O4S2 268.05515 http://www.hmdb.ca/metabolites/HMDB00676 HMDB NA NA +HMDB00575 DL-Homocystine C8H16N2O4S2 268.05515 NA ;SYN:2-Acetylamino-3-mercapto-propionate; 2-Acetylamino-3-mercapto-propionic acid; Acetadote; Acetilcisteina; Acetylcysteine; Acetylcysteinum; Fluimicil Infantil; Fluimucetin; Flumucetin; Fluprowit; L-Acetylcysteine; Mercapturic acid; N-Acety-L-Cysteine; N-Acetyl-3-mercaptoalanine; N-Acetyl-L-(+)-cysteine; N-Acetylcysteine; Sodium 2-acetamido-3-mercaptopropionateH2Blood; Urine Inhouse_peptide NA peptide +HMDB00575 DL-Homocystine C8H16N2O4S2 268.05515 http://www.hmdb.ca/metabolites/HMDB00575 PFEM_hmdb_metabocards_blood NA blood +HMDB00676 L-Homocystine C8H16N2O4S2 268.05515 http://www.hmdb.ca/metabolites/HMDB00676 PFEM_hmdb_metabocards_blood NA blood +HMDB00575 DL-Homocystine C8H16N2O4S2 268.05515 HMDB00575 PFEM_hmdb_metabocards_official NA NA +HMDB00676 L-Homocystine C8H16N2O4S2 268.05515 HMDB00676 PFEM_hmdb_metabocards_official NA NA +MJ019430 2,3-Dihydroxypropanoic acid, 2-O-(3,4-Dihydroxycinnamoyl) C12H12O7 268.058302 NA MeJP NA NA +MJ019431 Brunnescin C12H12O7 268.058302 NA MeJP NA NA +EUR286 Homocysteine F2 F2 268.059275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR286 Homocysteine F2 NA 268.059275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR286 Homocysteine F2 F2 268.059275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR286 Homocysteine F2 NA 268.059275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR286 Homocysteine F2 F2 268.059275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR286 Homocysteine F2 NA 268.059275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR286 Homocysteine F2 F2 268.059275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR286 Homocysteine F2 F2 268.059275 standards wishlist analysés sur QTOF HMDB NA NA +EUR286 Homocysteine F2 F2 268.059275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR286 Homocysteine F2 NA 268.059275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR286 Homocysteine F2 F2 268.059275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR286 Homocysteine F2 F2 268.059275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ019432 2-Fluorospiro[9H-fluorene-9,4'-imidazolidine]-2',5'-dione C15H9FN2O2 268.064805 NA MeJP NA NA +MJ019433 Zardaverine C12H10F2N2O3 268.065948 NA MeJP NA NA +C08566 Portulacaxanthin III C11H12N2O6 268.0695 NA KEGG NA NA +MJ019434 N-[(5-Hydroxy-3-pyridinyl)carbonyl]glutamic acid C11H12N2O6 268.069536 NA MeJP NA NA +MJ019435 Portulacaxanthin III C11H12N2O6 268.069536 NA MeJP NA NA +MJ019436 Aprikalim C12H16N2OS2 268.070404 NA MeJP NA NA +HMDB11679 DHAP(6:0) C9H17O7P 268.071198 NA HMDB2010 NA NA +HMDB02034 Homolanthionine C8H16N2O6S 268.072906 NA HMDB2010 NA NA +HMDB02034 Homolanthionine C8H16N2O6S 268.07291 http://www.hmdb.ca/metabolites/HMDB02034 HMDB NA NA +HMDB02034 Homolanthionine C8H16N2O6S 268.07291 HMDB02034 PFEM_hmdb_metabocards_official NA NA +JH179 Formononetin C16H12O4 268.073 Rtobs18.95 PFEM_hmdb_metabocards_urine NA urine +JH179 Formononetin [M+H]+ C16H12O4 268.073 18.95 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH179 Formononetin C16H12O4 268.073 Rtobs18.95 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH179 Formononetin [M+H]+ C16H12O4 268.073 18.95 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH179 Formononetin C16H12O4 268.073 Rtobs18.95 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH179 Formononetin [M+H]+ C16H12O4 268.073 18.95 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH179 Formononetin C16H12O4 268.073 Rtobs18.95 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH179 Formononetin C16H12O4 268.073 Rtobs18.95 HMDB NA NA +JH179 Formononetin C16H12O4 268.073 Rtobs18.95 Inhouse_PFEM NA NA +JH179 Formononetin [M+H]+ C16H12O4 268.073 18.95 Inhousejuil11 NA NA +JH179 Formononetin C16H12O4 268.073 Rtobs18.95 PFEM_hmdb_metabocards_blood NA blood +JH179 Formononetin C16H12O4 268.073 Rtobs18.95 PFEM_hmdb_metabocards_official NA NA +HMDB05808 Formononetin C16H12O4 268.073547 NA HMDB2010 NA NA +HMDB05808 Formononetin C16H12O4 268.07355 http://www.hmdb.ca/metabolites/HMDB05808 HMDB NA NA +FL3F1ANS0002 Isopratol;4'-Hydroxy-7-methoxyflavone C16H12O4 268.07355 32272-23-4 knapsack NA NA +FL3F29NS0002 7-Hydroxy-6-methoxyflavone;Trigraecum C16H12O4 268.07355 38070-97-2 knapsack NA NA +FL3F98NS0003 5-Hydroxy-2'-methoxyflavone C16H12O4 268.07355 6665-71-0 knapsack NA NA +FL3F99NS0005 5-Hydroxy-6-methoxyflavone C16H12O4 268.07355 85395-95-5 knapsack NA NA +FL3F9ANS0001 6-Hydroxy-4'-methoxyflavone C16H12O4 268.07355 63046-09-3 knapsack NA NA +FL3FA9NM0001 Strobochrysin;5,7-Dihydroxy-6-methylflavone;5,7-Dihydroxy-6-methyl-2-phenyl-4H-1-benzopyran-4-one C16H12O4 268.07355 529-52-2 knapsack NA NA +FL3FA9NS0003 Tectochrysin;5-hydroxy-7-methoxyflavone C16H12O4 268.07355 520-28-5 knapsack NA NA +FL5F9CNS0001 3-Hydroxy-4'-methoxyflavone C16H12O4 268.07355 6889-78-7 knapsack NA NA +FLIA1ANS0001 Formononetin C16H12O4 268.07355 485-72-3 knapsack NA NA +FLIA1ANS0003 Isoformononetin C16H12O4 268.07355 486-63-5 knapsack NA NA +FLIA9ANS0001 Pallidiflorin;5-Hydroxy-4'-methoxyisoflavone C16H12O4 268.07355 133086-79-0 knapsack NA NA +FLIAA9NS0001 5-Hydroxy-7-methoxyisoflavone C16H12O4 268.07355 19725-43-0 knapsack NA NA +FLNA29NS0001 Dalbergin;6-Hydroxy-7-methoxy-4-phenylcoumarin C16H12O4 268.07355 482-83-7 knapsack NA NA +FLNA29NS0003 Isodalbergin;7-Hydroxy-6-methoxy-4-phenylcoumarin C16H12O4 268.07355 605-09-4 knapsack NA NA +HMDB05808 Formononetin C16H12O4 268.07355 HMDB05808 PFEM_hmdb_metabocards_official NA NA +MJ019437 1,2-Dihydroxy-3-methylanthraquinone; 1-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019438 1,2-Dihydroxy-7-methylanthraquinone; 2-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019439 1,3-Dihydroxy-2-methylanthraquinone; 1-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019440 1,3-Dihydroxy-2-methylanthraquinone; 3-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019441 1,3-Dihydroxy-6-methylanthraquinone; 3-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019442 1,3-Dihydroxyanthraquinone; Di-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019443 1,4-Dihydroxy-2-methylanthraquinone; 4-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019444 1,5-Dihydroxy-3-methylanthraquinone; 1-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019445 1,6-Dihydroxy-3-methylanthraquinone; 6-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019446 1,7-Dihydroxy-3-methylanthraquinone; 7-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019447 1,8-Dihydroxy-2-methylanthraquinone; 8-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019448 1,8-Dihydroxy-3-methylanthraquinone; 1-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019449 1,8-Dihydroxy-3-methylanthraquinone; 8-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019450 2',5-Dihydroxyflavone; 2'-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019451 2,3,4,7-Phenanthrenetetrol; 2,3-Methylene, 4-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019452 3',4'-Dihydroxyflavone; 4'-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019453 3,4'-Dihydroxyflavone; 4'-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019454 3,9-Dihydroxypterocarpene; 3-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019455 4',5-Dihydroxyisoflavone; 4'-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019456 4',7-Dihydroxyflavone; 4'-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019457 4',7-Dihydroxyflavone; 7-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019458 4',7-Dihydroxyisoflavone; 7-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019459 5,6-Dihydroxyflavone; 6-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019460 5,7-Dihydroxy-3-methylflavone C16H12O4 268.073558 NA MeJP NA NA +MJ019461 5,7-Dihydroxy-6-methylflavone C16H12O4 268.073558 NA MeJP NA NA +MJ019462 5,7-Dihydroxy-8-methylflavone C16H12O4 268.073558 NA MeJP NA NA +MJ019463 5,7-Dihydroxyflavone; 5-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019464 5,7-Dihydroxyflavone; 7-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019465 5,7-Dihydroxyisoflavone; 7-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019466 5-Hydroxy-6-methoxy-2-methyl-3-phenylbenzofuran; 1'-Oxo C16H12O4 268.073558 NA MeJP NA NA +MJ019467 6,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one; 6-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019468 6,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one; 7-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019469 6,7-Dihydroxyflavone; 6-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019470 6-(3,4-Dihydroxyphenyl)-2,3-naphthalenediol C16H12O4 268.073558 NA MeJP NA NA +MJ019471 7-Hydroxy-3-(4-hydroxybenzyl)-4-chromone C16H12O4 268.073558 NA MeJP NA NA +MJ019472 7-Hydroxy-3-(4-hydroxybenzylidene)-4-chromanone C16H12O4 268.073558 NA MeJP NA NA +MJ019473 7-Hydroxy-4'-methoxyisoflavone C16H12O4 268.073558 NA MeJP NA NA +MJ019474 7-Hydroxy-8-methoxy-6-methyl-1,2-anthraquinone C16H12O4 268.073558 NA MeJP NA NA +MJ019475 ?-Oxo-2-dibenzofuranbutanoic acid C16H12O4 268.073558 NA MeJP NA NA +MJ019476 Dorstegin C16H12O4 268.073558 NA MeJP NA NA +MJ019477 Flavidin; 5-Oxo, 2-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019478 Flavidin; 5-Oxo, 7-Me ether C16H12O4 268.073558 NA MeJP NA NA +MJ019479 Isoxepac C16H12O4 268.073558 NA MeJP NA NA +MJ019480 Maturin; 13-Aldehyde C16H12O4 268.073558 NA MeJP NA NA +MJ019481 Oxepinac C16H12O4 268.073558 NA MeJP NA NA +MJ019482 Vesparione C16H12O4 268.073558 NA MeJP NA NA +MJ019483 4',5,7-Trihydroxyflavylium(1+); 7-Me ether C16H13O4(+) 268.073558 NA MeJP NA NA +MetaCyc02400 isoformononetin [] C16H12O4 268.073559 NA metacyc NA NA +MetaCyc02401 formononetin [7-hydroxy-4'-methoxyisoflavone;4'-O-methyldaidzein;] C16H12O4 268.073559 485-72-3 metacyc NA NA +C00858 Formononetin C16H12O4 268.0736 NA KEGG NA NA +C10414 Dalbergin C16H12O4 268.0736 NA KEGG NA NA +C11621 Tectochrysin C16H12O4 268.0736 NA KEGG NA NA +C12125 Isoformononetin C16H12O4 268.0736 NA KEGG NA NA +C12126 Dihydroceramide C19H38NO3R 268.0736 NA KEGG NA NA +C15110 1-[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-yl]ethanone C16H12O4 268.0736 NA KEGG NA NA +C15203 6-Hydroxy-2'-methoxyflavone C16H12O4 268.0736 NA KEGG NA NA +C11544 2(alpha-D-Mannosyl)-D-glycerate C9H16O9 268.0794 NA KEGG NA NA +MJ019484 2,3-Dihydroxypropanoic acid, 2-O-?-D-Mannopyranosyl C9H16O9 268.079432 NA MeJP NA NA +MJ019485 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid C9H16O9 268.079432 NA MeJP NA NA +MetaCyc02402 2-O-α-mannosyl-D-glycerate [2(α-D-Mannosyl)-D-glycerate;] C9H16O9 268.079432 NA metacyc NA NA +HMDB00425 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid C9H16O9 268.079437 NA HMDB2010 NA NA +HMDB00425 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid C9H16O9 268.07944 http://www.hmdb.ca/metabolites/HMDB00425 HMDB NA NA +HMDB00425 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid C9H16O9 268.07944 HMDB00425 PFEM_hmdb_metabocards_official NA NA +MJ019486 Inosine C10H12N4O5 268.080769 NA MeJP NA NA +MJ019487 6-Purinol; 1,9-Dihydro-form, 9-?-D-Ribopyranosyl C10H12N4O5 268.080769 NA MeJP NA NA +MJ019488 Formycin B C10H12N4O5 268.080769 NA MeJP NA NA +MJ019489 Inosine C10H12N4O5 268.080769 NA MeJP NA NA +MJ019490 Isoinosine C10H12N4O5 268.080769 NA MeJP NA NA +MJ019491 Nifuradene; N-(2-Hydroxyethyl) C10H12N4O5 268.080769 NA MeJP NA NA +MetaCyc02403 inosine [hypoxanthine-ribose;iso-prinosine;riboxine;] C10H12N4O5 268.08077 58-63-9 metacyc NA NA +HMDB00195 Inosine C10H12N4O5 268.08078 http://www.hmdb.ca/metabolites/HMDB00195 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03040 Arabinosylhypoxanthine C10H12N4O5 268.08078 http://www.hmdb.ca/metabolites/HMDB03040 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00195 Inosine C10H12N4O5 268.08078 http://www.hmdb.ca/metabolites/HMDB00195 HMDB NA NA +HMDB03040 Arabinosylhypoxanthine C10H12N4O5 268.08078 http://www.hmdb.ca/metabolites/HMDB03040 HMDB NA NA +HMDB00195 Inosine C10H12N4O5 268.08078 http://www.hmdb.ca/metabolites/HMDB00195 PFEM_hmdb_metabocards_blood NA blood +HMDB03040 Arabinosylhypoxanthine C10H12N4O5 268.08078 http://www.hmdb.ca/metabolites/HMDB03040 PFEM_hmdb_metabocards_blood NA blood +HMDB00195 Inosine C10H12N4O5 268.08078 HMDB00195 PFEM_hmdb_metabocards_official NA NA +HMDB03040 Arabinosylhypoxanthine C10H12N4O5 268.08078 HMDB03040 PFEM_hmdb_metabocards_official NA NA +HMDB00195 Inosine C10H12N4O5 268.08078 NA HMDB2010 NA NA +HMDB00481 Allopurinol riboside C10H12N4O5 268.08078 NA HMDB2010 NA NA +HMDB03040 Arabinosylhypoxanthine C10H12N4O5 268.08078 NA HMDB2010 NA NA +EUR634 Inosine [M+H]+ 268.0808 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR634 Inosine [M+H]+ 268.0808 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR634 Inosine [M+H]+ 268.0808 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR634 Inosine [M+H]+ 268.0808 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00294 Inosine C10H12N4O5 268.0808 NA KEGG NA NA +MLBis018 Inosine HMDB00195_RT3.92_add137 268.0814 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis018 Inosine HMDB00195_RT3.92_add137 268.0814 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis018 Inosine HMDB00195_RT3.92_add137 268.0814 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis018 Inosine HMDB00195_RT3.92_add137 268.0814 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis018 Inosine HMDB00195_RT3.92_add137 268.0814 Mlbis HMDB NA NA +MLBis018 Inosine HMDB00195_RT3.92_add137 268.0814 Mlbis Inhouse_PFEM NA NA +MLBis018 Inosine NA 268.0814 269.0886 Inhouse_sept12 NA NA +MLBis018 Inosine HMDB00195_RT3.92_add137 268.0814 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis018 Inosine HMDB00195_RT3.92_add137 268.0814 Mlbis PFEM_hmdb_metabocards_official NA NA +MJ019492 1-Acetyl-?-carboline-3-carboxylic acid; Me ester C15H12N2O3 268.084792 NA MeJP NA NA +MJ019493 1-Phenazinol; (Methoxycarbonylmethyl) ether C15H12N2O3 268.084792 NA MeJP NA NA +MJ019494 6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid C15H12N2O3 268.084792 NA MeJP NA NA +MJ019495 6-Hydroxy-1-phenazinecarboxylic acid; Me ether, Me ester C15H12N2O3 268.084792 NA MeJP NA NA +C12117 Saphenic acid C15H12N2O3 268.0848 NA KEGG NA NA +C16603 2,3-Dihydroxycarbamazepine C15H12N2O3 268.0848 NA KEGG NA NA +MJ019496 Clomoxir C14H17ClO3 268.086622 NA MeJP NA NA +MJ019497 Tolpyrramide C12H16N2O3S 268.088163 NA MeJP NA NA +PJ000127 CF C12H16N2O3S 268.0882 NA PeJP NA NA +C14459 2-Hydroxybenzo[a]pyrene C20H12O 268.0888 NA KEGG NA NA +C14461 3-Hydroxybenzo[a]pyrene C20H12O 268.0888 NA KEGG NA NA +C14556 9-Hydroxybenzo[a]pyrene C20H12O 268.0888 NA KEGG NA NA +C14557 8-Hydroxybenzo[a]pyrene C20H12O 268.0888 NA KEGG NA NA +C14558 7-Hydroxybenzo[a]pyrene C20H12O 268.0888 NA KEGG NA NA +C14559 5-Hydroxybenzo[a]pyrene C20H12O 268.0888 NA KEGG NA NA +C14560 4-Hydroxybenzo[a]pyrene C20H12O 268.0888 NA KEGG NA NA +C14563 12-Hydroxybenzo[a]pyrene C20H12O 268.0888 NA KEGG NA NA +C14564 11-Hydroxybenzo[a]pyrene C20H12O 268.0888 NA KEGG NA NA +C14565 10-Hydroxybenzo[a]pyrene C20H12O 268.0888 NA KEGG NA NA +C14576 6-Hydroxybenzo[a]pyrene C20H12O 268.0888 NA KEGG NA NA +C14849 Benzo[a]pyrene-9,10-oxide C20H12O 268.0888 NA KEGG NA NA +C14850 Benzo[a]pyrene-7,8-oxide C20H12O 268.0888 NA KEGG NA NA +C14851 Benzo[a]pyrene-4,5-oxide C20H12O 268.0888 NA KEGG NA NA +C11265 8-Azaadenosine C9H12N6O4 268.092 NA KEGG NA NA +MJ019498 2-Azaadenosine C9H12N6O4 268.092002 NA MeJP NA NA +MJ019499 Cytarazid C9H12N6O4 268.092002 NA MeJP NA NA +MJ019500 1-O-Coumaroylglycerol, 3'-Methoxy C13H16O6 268.094688 NA MeJP NA NA +MJ019501 2-Acetyl-3,4,5-trihydroxybenzeneacetic acid; 4-Me ether, Et ester C13H16O6 268.094688 NA MeJP NA NA +MJ019502 3,4-Dihydro-1,6,8-trihydroxy-3,4,5-trimethyl-1H-2-benzopyran-7-carboxylic acid C13H16O6 268.094688 NA MeJP NA NA +MJ019503 3-(Pentahydroxyphenyl)-2-propenal; 2,3,4,6-Tetra-Me ether C13H16O6 268.094688 NA MeJP NA NA +MJ019504 3-Ethoxy-5-hydroxy-4-(hydroxymethyl)-7-methoxy-6-methyl-1(3H)-isobenzofuranone C13H16O6 268.094688 NA MeJP NA NA +MJ019505 Benzoic acid; ?-L-Rhamnopyranosyl ester C13H16O6 268.094688 NA MeJP NA NA +MJ019506 Geniposidic acid; Aglycone, 10-Ac, Me ester C13H16O6 268.094688 NA MeJP NA NA +MJ019507 Multiforisin A; 1''-Alcohol, 1''-Ac C13H16O6 268.094688 NA MeJP NA NA +MJ019508 Multiforisin A; 1''-Alcohol, 1'-Ac C13H16O6 268.094688 NA MeJP NA NA +MJ019509 Radicinol; 4-Epimer, 4-Me ether, 1'?,2'?-epoxide C13H16O6 268.094688 NA MeJP NA NA +7684 ACE inhibitor from garlic SY 268.095 ACE inhibitor Inhouse_peptide NA peptide +MJ019510 Moclobemide C13H17ClN2O2 268.097855 NA MeJP NA NA +C11571 2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole C16H16N2S 268.1034 NA KEGG NA NA +C11572 Glycoprotein with the oligosaccharide chain attached by N-glycosyl C21H32N5O13R3 268.1034 NA KEGG NA NA +PJ000128 SY C12H16N2O5 268.1059 NA PeJP NA NA +MJ019511 2-Amino-1-(4-nitrophenyl)-1,3-propanediol, N-Propanoyl C12H16N2O5 268.105921 NA MeJP NA NA +MJ019512 1,11-Diisothiocyanato-1-undecene C13H20N2S2 268.10679 NA MeJP NA NA +MJ019513 1,3-Bis(4-hydroxyphenyl)-4-penten-1-one C17H16O3 268.109944 NA MeJP NA NA +MJ019514 1,7-Bis(hydroxymethyl)-3,6,9-phenanthrenetriol; 1',2'-Dideoxy, 9-Me ether C17H16O3 268.109944 NA MeJP NA NA +MJ019515 2,2-Dimethyl-7-phenyl-2H-1-benzopyran-5-ol; 4'-Hydroxy C17H16O3 268.109944 NA MeJP NA NA +MJ019516 2,3,4-Phenanthrenetriol; Tri-Me ether C17H16O3 268.109944 NA MeJP NA NA +MJ019517 2,5,6-Phenanthrenetriol; Tri-Me ether C17H16O3 268.109944 NA MeJP NA NA +MJ019518 3,4,6-Phenanthrenetriol; Tri-Me ether C17H16O3 268.109944 NA MeJP NA NA +MJ019519 3-(4-Hydroxyphenyl)-2-propenoic acid, 1-Phenylethyl ester C17H16O3 268.109944 NA MeJP NA NA +MJ019520 3-(4-Hydroxyphenyl)-2-propenoic acid, 2-Phenylethyl ester C17H16O3 268.109944 NA MeJP NA NA +MJ019521 3-Tridecene-5,7,9,11-tetrayne-1,2-diol, 1-(2-Methylpropanoyl) C17H16O3 268.109944 NA MeJP NA NA +MJ019522 6-Hydroxy-3,3-dimethyl-4-phenyl-2(3H)-benzofuranone; Me ether C17H16O3 268.109944 NA MeJP NA NA +MJ019523 7-Methoxy-4-phenyl-2H-1-benzopyran-6-ol; Me ether C17H16O3 268.109944 NA MeJP NA NA +MJ019524 9,10-Dihydro-3,7-dihydroxy-2,8-dimethyl-4-phenanthrenecarboxaldehyde C17H16O3 268.109944 NA MeJP NA NA +MJ019525 Ceroptin C17H16O3 268.109944 NA MeJP NA NA +MJ019526 Danshenspiroketallactone C17H16O3 268.109944 NA MeJP NA NA +MJ019527 Juncunone C17H16O3 268.109944 NA MeJP NA NA +MJ019528 Metbufen C17H16O3 268.109944 NA MeJP NA NA +MJ019529 Sterehirsutinal; 1'-Alcohol C17H16O3 268.109944 NA MeJP NA NA +CJpos0666 N-Acetylcarnosine (and isomer) [(M+H)]+ C11H17N4O4 268.116575 C18rt(min)=1.1 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0666 N-Acetylcarnosine (and isomer) [(M+H)]+ C11H17N4O4 268.116575 C18rt(min)=1.1 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ019530 Pentostatin C11H16N4O4 268.117155 NA MeJP NA NA +MJ019531 Razoxane C11H16N4O4 268.117155 NA MeJP NA NA +C02267 Deoxycoformycin C11H16N4O4 268.1172 NA KEGG NA NA +C02269 Deoxynucleoside C5H9O3R 268.1172 NA KEGG NA NA +C02270 Depurinated DNA C5H11O7P 268.1172 NA KEGG NA NA +MJ019532 ?-Carboline-1-carboxylic acid; Butyl ester C16H16N2O2 268.121177 NA MeJP NA NA +MJ019533 ?-Carboline-1-propanoic acid; Et ester C16H16N2O2 268.121177 NA MeJP NA NA +MJ019534 Lysergic acid C16H16N2O2 268.121177 NA MeJP NA NA +MJ019535 Nafazatrom C16H16N2O2 268.121177 NA MeJP NA NA +MJ019536 Paspalic acid C16H16N2O2 268.121177 NA MeJP NA NA +MJ019537 Rugulovasine A C16H16N2O2 268.121177 NA MeJP NA NA +C07541 Lysergic acid C16H16N2O2 268.1212 NA KEGG NA NA +C13805 N-Butyl-beta-carboline-3-carboxylate C16H16N2O2 268.1212 NA KEGG NA NA +MJ019538 Laurencial C15H21ClO2 268.123007 NA MeJP NA NA +C14470 3-Methylcholanthrene C21H16 268.1252 NA KEGG NA NA +CJpos0667 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)-(C6H8O6)]+ C14H21O5 268.130575 C18rt(min)=8.68 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0667 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)-(C6H8O6)]+ C14H21O5 268.130575 C18rt(min)=8.68 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ019539 3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid C14H20O5 268.131073 NA MeJP NA NA +MJ019540 8,8a-Dihydro-8a-hydroxy-3,3,6,6,8,8-hexamethyl-1,2-benzodioxin-5,7(3H,6H)-dione C14H20O5 268.131073 NA MeJP NA NA +MJ019541 8,8a-Dihydro-8a-hydroxy-7-methoxy-3,3,6,8,8-pentamethyl-1,2-benzodioxin-5(3H)-one C14H20O5 268.131073 NA MeJP NA NA +MJ019542 Bartanol C14H20O5 268.131073 NA MeJP NA NA +MJ019543 Colletodiol; 11-Deoxy C14H20O5 268.131073 NA MeJP NA NA +MJ019544 Colletodiol; 12-Deoxy C14H20O5 268.131073 NA MeJP NA NA +MJ019545 Kamahine C C14H20O5 268.131073 NA MeJP NA NA +MJ019546 Papyracone B C14H20O5 268.131073 NA MeJP NA NA +MJ019547 Pectinolide A; 3'-De-Ac C14H20O5 268.131073 NA MeJP NA NA +MJ019548 Pectinolide A; 5-De-Ac C14H20O5 268.131073 NA MeJP NA NA +MJ019549 Seiricuprolide C14H20O5 268.131073 NA MeJP NA NA +MJ019550 Teucrein C14H20O5 268.131073 NA MeJP NA NA +MJ019551 Waol B C14H20O5 268.131073 NA MeJP NA NA +MJ019552 Wasabidienone A C14H20O5 268.131073 NA MeJP NA NA +MJ019553 p-Mentha-1,3,5-triene-3,7,8,9-tetrol; 9-(2-Methylpropanoyl) C14H20O5 268.131073 NA MeJP NA NA +MJ019554 p-Mentha-1,3,5-triene-3,8,9,10-tetrol; 9-O-(2-Methylpropanoyl) C14H20O5 268.131073 NA MeJP NA NA +MJ019555 4-(4,6-Dimethylpyrid-2-yl)-5-ethyl-3-(furan-2-yl)-4H-1,2,4-triazole C15H16N4O 268.132411 NA MeJP NA NA +MJ019556 Aplysinopsin; 3'-N-Me C15H16N4O 268.132411 NA MeJP NA NA +MJ019557 Ripazepam C15H16N4O 268.132411 NA MeJP NA NA +2775 protease HIV 1 inhibitor LLEY 268.1365 MH2+ Inhouse_peptide NA peptide +2620 synthetic fr,of human beta-CN (77-81) ACE inhibitor PVPQP 268.141 MH2+ Inhouse_peptide NA peptide +3305 NA LH 268.142 celiac toxic Inhouse_peptide NA peptide +3317 NA HL 268.142 celiac toxic Inhouse_peptide NA peptide +7602 ACE inhibitor HL 268.142 antioxidative Inhouse_peptide NA peptide +C07620 Diethylstilbestrol C18H20O2 268.1463 NA KEGG NA NA +C13625 4-Methyl-2,4-bis-(p-hydroxyphenyl)pent-1-ene C18H20O2 268.1463 NA KEGG NA NA +C14392 Equilin C18H20O2 268.1463 NA KEGG NA NA +C14498 17alpha-Dihydroequilenin C18H20O2 268.1463 NA KEGG NA NA +C14650 3-Hydroxyestra-1,3,5(10),6-tetraen-17-one C18H20O2 268.1463 NA KEGG NA NA +C14738 Indanestrol C18H20O2 268.1463 NA KEGG NA NA +C15168 4,4'-(2-Ethyl-1-butenylidene)diphenol C18H20O2 268.1463 NA KEGG NA NA +MJ019558 2,3-Dihydro-2,3,3-trimethyl-4-phenyl-6-benzofuranol; Me ether C18H20O2 268.146329 NA MeJP NA NA +MJ019559 3,4-Dihydroxy-5-prenylbiphenyl; 4-Me ether C18H20O2 268.146329 NA MeJP NA NA +MJ019560 3,5-Dihydroxy-2-prenylbiphenyl; 5-Me ether C18H20O2 268.146329 NA MeJP NA NA +MJ019561 3,5-Tridecadiene-7,9,11-triyn-1-ol, 3-Methylbutanoyl C18H20O2 268.146329 NA MeJP NA NA +MJ019562 3-Hydroxy-5-methoxy-4-(3-methyl-2-butenyl)biphenyl C18H20O2 268.146329 NA MeJP NA NA +MJ019563 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one C18H20O2 268.146329 NA MeJP NA NA +MJ019564 3-Hydroxyestra-1,3,5(10),9(11)-tetraen-17-one C18H20O2 268.146329 NA MeJP NA NA +MJ019565 6-Hydroxy-4-(4-hydroxyphenyl)-2,3-dimethyltetralin C18H20O2 268.146329 NA MeJP NA NA +MJ019566 Diethylstilbestrol C18H20O2 268.146329 NA MeJP NA NA +MJ019567 Estra-1,3,5,7,9-pentaene-3,17-diol; 17?-form C18H20O2 268.146329 NA MeJP NA NA +MJ019568 Heudelotinone C18H20O2 268.146329 NA MeJP NA NA +MJ019569 Salvinone C18H20O2 268.146329 NA MeJP NA NA +MJ019570 Salviolone C18H20O2 268.146329 NA MeJP NA NA +MJ019571 Xochitlodione; 6-Deoxo C18H20O2 268.146329 NA MeJP NA NA +C05010 His-Leu C12H20N4O3 268.1535 NA KEGG NA NA +PJ000129 LH C12H20N4O3 268.1536 NA PeJP NA NA +MJ019572 1b-Ethyl-1a,1b,3,4,8c,9,10,10a-octahydro-2H-oxireno[4,5-b]pyrido[3,2-c]carbazole C17H20N2O 268.157563 NA MeJP NA NA +MJ019573 Agroclavine, 10-Epimer, N1-methoxy C17H20N2O 268.157563 NA MeJP NA NA +MJ019574 Dasycarpidone C17H20N2O 268.157563 NA MeJP NA NA +MJ019575 Doisuthine C17H20N2O 268.157563 NA MeJP NA NA +MJ019576 N,N'-Bis(2-phenylethyl)urea C17H20N2O 268.157563 NA MeJP NA NA +MJ019577 Remacemide C17H20N2O 268.157563 NA MeJP NA NA +MJ019578 Vindeburnol C17H20N2O 268.157563 NA MeJP NA NA +MJ019579 1,10-Dihydroxy-11(13)-eremophilen-12,8-olide, 11?,13-Dihydro C15H24O4 268.167459 NA MeJP NA NA +MJ019580 1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro C15H24O4 268.167459 NA MeJP NA NA +MJ019581 1,3,5-Bisabolatriene-1,7,12,15-tetrol C15H24O4 268.167459 NA MeJP NA NA +MJ019582 1,3-Dihydroxy-12,6-eudesmanolide C15H24O4 268.167459 NA MeJP NA NA +MJ019583 1,4-Dihydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro C15H24O4 268.167459 NA MeJP NA NA +MJ019584 1,4-Dihydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro C15H24O4 268.167459 NA MeJP NA NA +MJ019585 1,4-Dihydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro C15H24O4 268.167459 NA MeJP NA NA +MJ019586 1,4-Dihydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro C15H24O4 268.167459 NA MeJP NA NA +MJ019587 1,4-Dihydroxy-11(13)-pseudoguaien-12-oic acid C15H24O4 268.167459 NA MeJP NA NA +MJ019588 1,4-Dihydroxy-12,6-eudesmanolide C15H24O4 268.167459 NA MeJP NA NA +MJ019589 1,4-Epoxy-5-hydroxy-11(13)-xanthen-12-oic acid C15H24O4 268.167459 NA MeJP NA NA +MJ019590 1-(3-Furanyl)-4,8-dimethyl-7-nonene-3,4,5-triol C15H24O4 268.167459 NA MeJP NA NA +MJ019591 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone C15H24O4 268.167459 NA MeJP NA NA +MJ019592 10-Hydroperoxy-6-hydroxy-2,11-bisaboladien-1-one C15H24O4 268.167459 NA MeJP NA NA +MJ019593 11,12-Epoxy-7-drimene-6,9,11-triol C15H24O4 268.167459 NA MeJP NA NA +MJ019594 11-Hydroperoxy-6-hydroxy-2,9-bisaboladien-1-one C15H24O4 268.167459 NA MeJP NA NA +MJ019595 2,4-Dihydroxy-11(13)-eudesmen-12-oic acid C15H24O4 268.167459 NA MeJP NA NA +MJ019596 2,4-Dihydroxy-12,8-pseudoguaianolide C15H24O4 268.167459 NA MeJP NA NA +MJ019597 2-(9-Decenyl)-2-pentenedioic acid C15H24O4 268.167459 NA MeJP NA NA +MJ019598 2-Hydroxy-7-isopropyl-4-methyl-10-oxo-5-undecen-4-olide C15H24O4 268.167459 NA MeJP NA NA +MJ019599 3,11,12-Trihydroxy-1(10)-spirovetiven-2-one C15H24O4 268.167459 NA MeJP NA NA +MJ019600 3,11-Dihydroxy-1,6,9-farnesatrien-8-one; 11-Hydroperoxide C15H24O4 268.167459 NA MeJP NA NA +MJ019601 3,11-Dihydroxy-7-drimen-6-one, 7?,8?-Epoxy C15H24O4 268.167459 NA MeJP NA NA +MJ019602 3,11-Dihydroxy-8(12)-drimen-13-oic acid C15H24O4 268.167459 NA MeJP NA NA +MJ019603 3,14-Dihydroxy-7-drimen-12,11-olide, 7,8?-Dihydro C15H24O4 268.167459 NA MeJP NA NA +MJ019604 3,4,11-Trihydroxy-6-eudesmen-8-one C15H24O4 268.167459 NA MeJP NA NA +MJ019605 3,4,7-Trihydroxy-11-eudesmen-8-one C15H24O4 268.167459 NA MeJP NA NA +MJ019606 3,4-Dihydroxy-11(13)-eudesmen-12-oic acid C15H24O4 268.167459 NA MeJP NA NA +MJ019607 3,6-Dihydroxy-12,11-drimanolide C15H24O4 268.167459 NA MeJP NA NA +MJ019608 3,8-Dihydroxy-12,11-drimanolide C15H24O4 268.167459 NA MeJP NA NA +MJ019609 4,15-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro C15H24O4 268.167459 NA MeJP NA NA +MJ019610 4,6-Dihydroxy-11(13)-eudesmen-12-oic acid C15H24O4 268.167459 NA MeJP NA NA +MJ019611 4,6-Dihydroxy-12,8-eudesmanolide C15H24O4 268.167459 NA MeJP NA NA +MJ019612 4,9-Dihydroxy-1(5),11(13)-xanthadien-12,6-olide, 11?,13-Dihydro C15H24O4 268.167459 NA MeJP NA NA +MJ019613 4,9-Epoxy-5-hydroxy-12,6-germacranolide C15H24O4 268.167459 NA MeJP NA NA +MJ019614 4-Hydroperoxy-5-amorphen-12-oic acid C15H24O4 268.167459 NA MeJP NA NA +MJ019615 5,6-Epoxy-8-hydroxy-11-drimanoic acid C15H24O4 268.167459 NA MeJP NA NA +MJ019616 5,9-Epidioxy-8-hydroperoxy-6-daucene C15H24O4 268.167459 NA MeJP NA NA +MJ019617 6,7-Dihydroxy-11,12-drimanolide C15H24O4 268.167459 NA MeJP NA NA +MJ019618 6-Hydroperoxy-3-hydroxy-1,7(14),10-farnesatrien-9-one C15H24O4 268.167459 NA MeJP NA NA +MJ019619 6-Hydroxy-2-nor-2,3-seco-1,3-allohimachalanedione, O-Formyl C15H24O4 268.167459 NA MeJP NA NA +MJ019620 6-Protoilludene-4,5,8,14-tetrol C15H24O4 268.167459 NA MeJP NA NA +MJ019621 7-Hydroperoxy-3-hydroxy-1,5,10-farnesatrien-9-one C15H24O4 268.167459 NA MeJP NA NA +MJ019622 9(12)-Capnellene-2,5,8,10-tetrol C15H24O4 268.167459 NA MeJP NA NA +MJ019623 9(12)-Capnellene-3,8,10,14-tetrol C15H24O4 268.167459 NA MeJP NA NA +MJ019624 9,10-Epoxy-1,8-dihydroxy-12,8-eremophilanolide C15H24O4 268.167459 NA MeJP NA NA +MJ019625 9-(3-Furanyl)-2,6-dimethyl-6-nonene-2,3,5-triol C15H24O4 268.167459 NA MeJP NA NA +MJ019626 Acoric acid C15H24O4 268.167459 NA MeJP NA NA +MJ019627 Aeginetic acid C15H24O4 268.167459 NA MeJP NA NA +MJ019628 Antibiotic FR 65814 C15H24O4 268.167459 NA MeJP NA NA +MJ019629 Arteannuin M C15H24O4 268.167459 NA MeJP NA NA +MJ019630 Deacetyldihydrobotrydial; 15-Oxo, 10-deoxy C15H24O4 268.167459 NA MeJP NA NA +MJ019631 Gingerdiols; [4]-Gingerdiol C15H24O4 268.167459 NA MeJP NA NA +MJ019632 Hanalpinol; 9-Hydroperoxide C15H24O4 268.167459 NA MeJP NA NA +MJ019633 Hebelophyllene D C15H24O4 268.167459 NA MeJP NA NA +MJ019634 Hydroxydavanone; 11-Hydroperoxide C15H24O4 268.167459 NA MeJP NA NA +MJ019635 Isotrichodiol; 8?-Hydroxy C15H24O4 268.167459 NA MeJP NA NA +MJ019636 Parathylone C15H24O4 268.167459 NA MeJP NA NA +MJ019637 Secofloribundione C15H24O4 268.167459 NA MeJP NA NA +MJ019638 Trichotriol C15H24O4 268.167459 NA MeJP NA NA +C09984 N-(p-Hydroxyphenethyl)actinidine C18H22NO 268.1701 NA KEGG NA NA +C15107 3-Methoxyestra-1,3,5(10),16-tetraene C19H24O 268.1827 NA KEGG NA NA +C15217 4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol C19H24O 268.1827 NA KEGG NA NA +MJ019639 15,16-Epoxy-19-nor-1,3,5(10),13(16),14-clerodapentaene; ent-form C19H24O 268.182715 NA MeJP NA NA +MJ019640 19-Nor-4(18),8,11,13-abietatetraen-7-ol; 7?-form, 7-Ketone C19H24O 268.182715 NA MeJP NA NA +MJ019641 20-Nor-1(10),2,8,11,13-abietapentaen-12-ol C19H24O 268.182715 NA MeJP NA NA +MJ019642 Clathrin B; Ketone C19H24O 268.182715 NA MeJP NA NA +MJ019643 Tubifolidine C18H24N2 268.193948 NA MeJP NA NA +MJ019644 1,6,9-Farnesatriene-3,5,11-triol, 11-Me ether C16H28O3 268.203844 NA MeJP NA NA +MJ019645 13-Hydroxy-9,11-hexadecadienoic acid C16H28O3 268.203844 NA MeJP NA NA +MJ019646 3-Oxo-2-(2-pentenyl)-1-cyclopentanehexanoic acid, 2'',3''-Dihydro C16H28O3 268.203844 NA MeJP NA NA +MJ019647 5,10(14)-Germacradiene-1,4,8-triol, 4-Me ether C16H28O3 268.203844 NA MeJP NA NA +MJ019648 8-Hydroxy-13,14,15,16-tetranor-12-labdanoic acid; 8?-form C16H28O3 268.203844 NA MeJP NA NA +MJ019649 9-Hydroxy-2-bisabolen-15-oic acid, Me ester C16H28O3 268.203844 NA MeJP NA NA +MJ019650 Dihydro-5-(5-hydroxy-6-dodecenyl)-2(3H)-furanone C16H28O3 268.203844 NA MeJP NA NA +MJ019651 Maurenone C16H28O3 268.203844 NA MeJP NA NA +MJ019652 3-Aminohexahydro-2H-azepin-2-one, N3-(6-Methyloctanoyl) C15H28N2O2 268.215078 NA MeJP NA NA +MJ019653 3-Aminohexahydro-2H-azepin-2-one, N3-(7-Methyloctanoyl) C15H28N2O2 268.215078 NA MeJP NA NA +HMDB03413 Rhodopsin Not Available 268.21909 http://www.hmdb.ca/metabolites/HMDB03413 HMDB NA NA +HMDB06881 Bathorhodopsin C20H28 268.21909 http://www.hmdb.ca/metabolites/HMDB06881 HMDB NA NA +HMDB06882 Lumirhodopsin C20H28 268.21909 http://www.hmdb.ca/metabolites/HMDB06882 HMDB NA NA +HMDB06883 Metarhodopsin C20H28 268.21909 http://www.hmdb.ca/metabolites/HMDB06883 HMDB NA NA +HMDB03413 Rhodopsin Not Available 268.21909 HMDB03413 PFEM_hmdb_metabocards_official NA NA +HMDB06881 Bathorhodopsin C20H28 268.21909 HMDB06881 PFEM_hmdb_metabocards_official NA NA +HMDB06882 Lumirhodopsin C20H28 268.21909 HMDB06882 PFEM_hmdb_metabocards_official NA NA +HMDB06883 Metarhodopsin C20H28 268.21909 HMDB06883 PFEM_hmdb_metabocards_official NA NA +MJ019654 6,8,11,13-Cleistanthatetraene C20H28 268.2191 NA MeJP NA NA +MJ019655 Anhydrovitamin A1 C20H28 268.2191 NA MeJP NA NA +MJ019656 Dictyotetraene C20H28 268.2191 NA MeJP NA NA +C12100 omega-Cyclohexylundecanoic acid C17H32O2 268.2402 NA KEGG NA NA +C16536 9E-Heptadecenoic acid C17H32O2 268.2402 NA KEGG NA NA +MJ019657 10-Cycloheptyldecanoic acid C17H32O2 268.24023 NA MeJP NA NA +MJ019658 10-Methyl-6-hexadecenoic acid C17H32O2 268.24023 NA MeJP NA NA +MJ019659 10-Pentadecen-1-ol, Ac C17H32O2 268.24023 NA MeJP NA NA +MJ019660 12-Pentadecen-1-ol, Ac C17H32O2 268.24023 NA MeJP NA NA +MJ019661 14-Methyl-8-hexadecenoic acid C17H32O2 268.24023 NA MeJP NA NA +MJ019662 14-Methyl-9-hexadecenoic acid C17H32O2 268.24023 NA MeJP NA NA +MJ019663 15-Methyl-11-hexadecenoic acid C17H32O2 268.24023 NA MeJP NA NA +MJ019664 15-Methyl-9-hexadecenoic acid C17H32O2 268.24023 NA MeJP NA NA +MJ019665 2,4-Heptadecanedione C17H32O2 268.24023 NA MeJP NA NA +MJ019666 2-Hexylcyclopropaneoctanoic acid C17H32O2 268.24023 NA MeJP NA NA +MJ019667 5-Tetradecenoic acid, Isopropyl ester C17H32O2 268.24023 NA MeJP NA NA +MJ019668 7-Hexadecen-1-ol, Formyl C17H32O2 268.24023 NA MeJP NA NA +MJ019669 7-Methyl-6-hexadecenoic acid C17H32O2 268.24023 NA MeJP NA NA +MJ019670 7-Methyl-8-hexadecenoic acid C17H32O2 268.24023 NA MeJP NA NA +MJ019671 7-Tetradecenoic acid, Isopropyl ester C17H32O2 268.24023 NA MeJP NA NA +MJ019672 9-Heptadecenoic acid C17H32O2 268.24023 NA MeJP NA NA +MJ019673 9-Hexadecen-1-ol, Formyl C17H32O2 268.24023 NA MeJP NA NA +MJ019674 9-Methyl-10-hexadecenoic acid C17H32O2 268.24023 NA MeJP NA NA +MJ019675 9-Methyl-11-hexadecenoic acid C17H32O2 268.24023 NA MeJP NA NA +MJ019676 9-Pentadecen-1-ol, Ac C17H32O2 268.24023 NA MeJP NA NA +MJ019677 9-Tetradecen-1-ol, Propanoyl C17H32O2 268.24023 NA MeJP NA NA +MJ019678 9-Tetradecenoic acid, Isopropyl ester C17H32O2 268.24023 NA MeJP NA NA +MJ019679 Cyclohexaneundecanoic acid C17H32O2 268.24023 NA MeJP NA NA +C01838 Octadecanal C18H36O 268.2766 NA KEGG NA NA +HMDB02384 Stearaldehyde C18H36O 268.27661 http://www.hmdb.ca/metabolites/HMDB02384 HMDB NA NA +HMDB02384 Stearaldehyde C18H36O 268.27661 HMDB02384 PFEM_hmdb_metabocards_official NA NA +HMDB02384 Stearaldehyde C18H36O 268.276611 NA HMDB2010 NA NA +MJ019680 13-Octadecen-1-ol C18H36O 268.276615 NA MeJP NA NA +MJ019681 2-Octadecanone C18H36O 268.276615 NA MeJP NA NA +MJ019682 6,10,14-Trimethyl-2-pentadecanone C18H36O 268.276615 NA MeJP NA NA +MJ019683 9-Octadecen-1-ol C18H36O 268.276615 NA MeJP NA NA +MJ019684 Octadecanal C18H36O 268.276615 NA MeJP NA NA +MetaCyc02404 octadecanal [] C18H36O1 268.276616 638-66-4 metacyc NA NA +MJ019685 2-(12-Aminotridecyl)pyrrolidine C17H36N2 268.287849 NA MeJP NA NA +MJ019686 2,5-Dimethylheptadecane C19H40 268.313001 NA MeJP NA NA +MJ019687 2,6,10,14-Tetramethylpentadecane C19H40 268.313001 NA MeJP NA NA +MJ019688 3,13-Dimethylheptadecane C19H40 268.313001 NA MeJP NA NA +MJ019689 5,11-Dimethylheptadecane C19H40 268.313001 NA MeJP NA NA +MJ019690 5,9-Dimethylheptadecane C19H40 268.313001 NA MeJP NA NA +MJ019691 7,11-Dimethylheptadecane C19H40 268.313001 NA MeJP NA NA +MJ019692 Nonadecane C19H40 268.313001 NA MeJP NA NA +3259 beta-lactokinin HIRL 268.6635 MH2+ Inhouse_peptide NA peptide +2657 synthetic fr, of human beta-CN (161-165) ACE inhibitor VLPIP 268.67 MH2+ Inhouse_peptide NA peptide +MJ019693 4-[(Dichloroamino)sulfonyl]benzoic acid C7H5Cl2NO4S 268.931633 NA MeJP NA NA +MJ019694 Neodiseptal C10H11N3O2S2 269.029267 NA MeJP NA NA +MJ019695 Sulfasomizole C10H11N3O2S2 269.029267 NA MeJP NA NA +MJ019696 N-Acetyl-L-glutamate 5-phosphate C7H12NO8P 269.030052 NA MeJP NA NA +MetaCyc02405 N-acetylglutamyl-phosphate [N-Acetyl-L-glutamyl 5-phosphate;N-acetyl-L-glutamate-5-phosphate;N-acetyl-glutamyl-P;N-acetylglutamyl-P;N-acetyl-5-glutamyl phosphate;] C7H12N1O8P1 269.030053 NA metacyc NA NA +HMDB06456 N-Acetyl-L-glutamyl 5-phosphate C7H12NO8P 269.03006 http://www.hmdb.ca/metabolites/HMDB06456 HMDB NA NA +HMDB06786 (3-Phosphatidyl)ethanolamine C7H12NO8P 269.03006 http://www.hmdb.ca/metabolites/HMDB06786 HMDB NA NA +HMDB06456 N-Acetyl-L-glutamyl 5-phosphate C7H12NO8P 269.03006 HMDB06456 PFEM_hmdb_metabocards_official NA NA +HMDB06786 (3-Phosphatidyl)ethanolamine C7H12NO8P 269.03006 HMDB06786 PFEM_hmdb_metabocards_official NA NA +HMDB06456 N-Acetyl-L-glutamyl 5-phosphate C7H12NO8P 269.03006 NA HMDB2010 NA NA +C04133 N-Acetyl-L-glutamate 5-phosphate C7H12NO8P 269.0301 NA KEGG NA NA +C04134 N-Acetyl-alpha-D-galactosaminide C8H14NO6R 269.0301 NA KEGG NA NA +C04135 N-Acetyl-beta-D-galactosaminyl-R C8H14NO6R 269.0301 NA KEGG NA NA +C04136 N-Acyl-D-glucosamine 6-phosphate C7H13NO9PR 269.0301 NA KEGG NA NA +MJ019697 Eclazolast C12H12ClNO4 269.045485 NA MeJP NA NA +MJ019698 Alinidine C12H13Cl2N3 269.048652 NA MeJP NA NA +MJ019699 2-Ethyl-2-hydroxymethyl-1,3-propanediol; Trinitrate C6H11N3O9 269.049528 NA MeJP NA NA +C14936 2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile C16H12ClNO 269.0607 NA KEGG NA NA +C10668 Evoxanthidine C15H11NO4 269.0688 NA KEGG NA NA +MJ019700 1-Methoxy-2,3-methylenedioxyacridone C15H11NO4 269.068807 NA MeJP NA NA +MJ019701 4-Methylbenzo[g]quinoline-5,10-dione; 7-Methoxy, 6-hydroxy C15H11NO4 269.068807 NA MeJP NA NA +MJ019702 Bostrycoidin; 6-Deoxy C15H11NO4 269.068807 NA MeJP NA NA +MJ019703 Marcanine A; 3-Methoxy C15H11NO4 269.068807 NA MeJP NA NA +MJ019704 N-[Bis(1-aziridinyl)phosphinyl]-4-fluorobenzamide C11H13FN3O2P 269.072941 NA MeJP NA NA +MJ019705 8-Azainosine C9H11N5O5 269.076018 NA MeJP NA NA +MJ019706 Ekapterin C9H11N5O5 269.076018 NA MeJP NA NA +MJ019707 2-Amino-3-oxo-3H-phenoxazine-8-carboxylic acid; N2-Me, amide C14H11N3O3 269.080041 NA MeJP NA NA +MJ019708 Benaxibine C12H15NO6 269.089937 NA MeJP NA NA +MetaCyc02406 5'-deoxy-5'-fluoroadenosine [] C10H12N5O3F1 269.092417 NA metacyc NA NA +MJ019709 Toluidine blue C15H16N3S(+) 269.098668 NA MeJP NA NA +MJ019710 Anaxirone C11H15N3O5 269.10117 NA MeJP NA NA +MJ019711 1,3-Dimethoxyacridone; N-Me C16H15NO3 269.105193 NA MeJP NA NA +MJ019712 Crinine, 3-Ketone C16H15NO3 269.105193 NA MeJP NA NA +MJ019713 Dilmefone C16H15NO3 269.105193 NA MeJP NA NA +MJ019714 Ftaxilide C16H15NO3 269.105193 NA MeJP NA NA +MJ019715 Kalasinamide C16H15NO3 269.105193 NA MeJP NA NA +MJ019716 Murrayaline A C16H15NO3 269.105193 NA MeJP NA NA +MJ019717 Phenylalanine, N-Benzoyl C16H15NO3 269.105193 NA MeJP NA NA +C15122 alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid C16H15NO3 269.1052 NA KEGG NA NA +C11085 Fenothiocarb sulfoxide C13H19NO3S 269.1086 NA KEGG NA NA +PJ000130 NH C10H15N5O4 269.1124 NA PeJP NA NA +MJ019718 Nifurethazone C10H15N5O4 269.112403 NA MeJP NA NA +MetaCyc02407 formycin A [] C10H15N5O4 269.112404 NA metacyc NA NA +MJ019719 Anantine, 3'-Hydroxy C15H15N3O2 269.116426 NA MeJP NA NA +C10925 Acetochlor C14H20ClNO2 269.1183 NA KEGG NA NA +C10928 Alachlor C14H20ClNO2 269.1183 NA KEGG NA NA +CJpos0668 N-Acetylcarnosine (and isomer) [(M+H)]+ (13C) C1013CH17N4O4 269.119975 C18rt(min)=1.1 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0668 N-Acetylcarnosine (and isomer) [(M+H)]+ (13C) C1013CH17N4O4 269.119975 C18rt(min)=1.1 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +2756 peptide regulating the stomach mucosal membrane activity PGP 269.125 antibacterial Inhouse_peptide NA peptide +3046 inhibitor of insulin secretion PGP 269.125 celiac toxic Inhouse_peptide NA peptide +3284 antithrombotic peptide PGP 269.125 celiac toxic Inhouse_peptide NA peptide +3459 Prolyl endopeptidase inhibitor PGP 269.125 ACE inhibitor Inhouse_peptide NA peptide +3464 Chemotactic peptide PGP 269.125 ACE inhibitor Inhouse_peptide NA peptide +7820 ACE inhibitor from wheat gliadin GPP 269.125 antibacterial Inhouse_peptide NA peptide +MJ019720 1,2,3,4-Tetrahydro-5-hydroxy-1-hydroxymethyl-6,7-dimethoxy-2-methylisoquinoline; N-Oxide C13H19NO5 269.126322 NA MeJP NA NA +MJ019721 Mescaloxylic acid C13H19NO5 269.126322 NA MeJP NA NA +MJ019722 Preapiodionene C13H19NO5 269.126322 NA MeJP NA NA +MJ019723 Endralazine C14H15N5O 269.12766 NA MeJP NA NA +MJ019724 Declopramide C13H20ClN3O 269.129489 NA MeJP NA NA +7899 peptide from human milk b-casein (50-53) IYPF 269.1335 MH2+ Inhouse_peptide NA peptide +CJpos0669 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)-(C6H8O6)]+ (13C) C1313CH21O5 269.133875 C18rt(min)=8.68 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0669 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)-(C6H8O6)]+ (13C) C1313CH21O5 269.133875 C18rt(min)=8.68 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +8118 peptide derived from sardinelle by-products proteins (Sardinella aurita) GALAAH 269.137 MH2+ Inhouse_peptide NA peptide +PJ000131 GPP C12H19N3O4 269.1376 NA PeJP NA NA +MJ019725 1,2,3,4-Tetrahydro-6,7-dimethoxy-4-phenylisoquinoline C17H19NO2 269.141578 NA MeJP NA NA +MJ019726 Apogalanthamine; O8-Me C17H19NO2 269.141578 NA MeJP NA NA +MJ019727 Apogalanthamine; O9-Me C17H19NO2 269.141578 NA MeJP NA NA +MJ019728 Chalcostrobamine C17H19NO2 269.141578 NA MeJP NA NA +MJ019729 Coccuvine; Natural-form C17H19NO2 269.141578 NA MeJP NA NA +MJ019730 Strobamine C17H19NO2 269.141578 NA MeJP NA NA +MJ019731 Wallemia C C17H19NO2 269.141578 NA MeJP NA NA +C10867 Strobamine C17H19NO2 269.1416 NA KEGG NA NA +C14896 1-Methyl-6-(1,2,3,4-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone C17H19NO2 269.1416 NA KEGG NA NA +C15044 2,3-Dimethoxy-[2-(4-Pyridinyl)-1-butenyl]phenol C17H19NO2 269.1416 NA KEGG NA NA +MJ019732 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, 7-O-(2S-Hydroxy-2,3-dimethylbutanoyl) C14H23NO4 269.162708 NA MeJP NA NA +MJ019733 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, 9-O-(2S-Hydroxy-2,3-dimethylbutanoyl) C14H23NO4 269.162708 NA MeJP NA NA +MJ019734 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(2-Methylpropanoyl), 6-Ac C14H23NO4 269.162708 NA MeJP NA NA +MJ019735 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 6-O-(2-Methylpropanoyl), 3-Ac C14H23NO4 269.162708 NA MeJP NA NA +MJ019736 Pictumine C14H23NO4 269.162708 NA MeJP NA NA +MJ019737 Rizatriptan C15H19N5 269.164045 NA MeJP NA NA +MJ019738 Trypargine, 1,2-Didehydro C15H19N5 269.164045 NA MeJP NA NA +MJ019739 2,4-Tetradecadiene-8,10-diynoic acid, Pyrrolidide C18H23NO 269.177964 NA MeJP NA NA +MJ019740 2-Nonyl-4(1H)-quinolinone; 1',2'-Didehydro (E-) C18H23NO 269.177964 NA MeJP NA NA +MJ019741 3,5-Bis(3-methyl-2-butenyl)-1H-indole; 2'R,3'-Epoxide C18H23NO 269.177964 NA MeJP NA NA +MJ019742 3,6-Bis(3-methyl-2-butenyl)-1H-indole; 2'S,3'-Epoxide C18H23NO 269.177964 NA MeJP NA NA +MJ019743 ?-Methyl-N-(1-methyl-2-phenoxyethyl)benzeneethanamine C18H23NO 269.177964 NA MeJP NA NA +MJ019744 Anacycline, 12,13-Didehydro C18H23NO 269.177964 NA MeJP NA NA +MJ019745 Bifemelane C18H23NO 269.177964 NA MeJP NA NA +MJ019746 Orphenadrine C18H23NO 269.177964 NA MeJP NA NA +MJ019747 p-Methyldiphenhydramine C18H23NO 269.177964 NA MeJP NA NA +C07935 Orphenadrine C18H23NO 269.178 NA KEGG NA NA +C07936 Transferred to D00774 C18H23NO 269.178 NA KEGG NA NA +MJ019748 Tarennine C17H23N3 269.189197 NA MeJP NA NA +MJ019749 Pramiracetam C14H27N3O2 269.210327 NA MeJP NA NA +MJ019750 Dendrobates Alkaloid 269A C19H27N 269.214349 NA MeJP NA NA +MJ019751 Dendrobates Alkaloid 269B C19H27N 269.214349 NA MeJP NA NA +MJ019752 Acetamide; N-(13-Methyltetradecyl) C17H35NO 269.271864 NA MeJP NA NA +C17515 Capsi-amide C17H35NO 269.2719 NA KEGG NA NA +MJ019753 N,N',N''-Tris(3-methylbutyl)guanidine C16H35N3 269.283098 NA MeJP NA NA +7415 ACE inhibitor VLIVP 269.678 MH2+ Inhouse_peptide NA peptide +C16181 beta-2,3,4,5,6-Pentachlorocyclohexanol C6H7Cl5O 269.894 NA KEGG NA NA +MJ019754 1,3-Dibromo-2-heptanone C7H12Br2O 269.92549 NA MeJP NA NA +MJ019755 2,5-Dihydroxy-1,4-benzenedisulfonic acid C6H6O8S2 269.950408 NA MeJP NA NA +MJ019756 4-Chloro-1,3-benzenedisulfonic acid; Disulfonamide C6H7ClN2O4S2 269.953575 NA MeJP NA NA +MetaCyc02408 monobromobimane [mBBr;] C10H11N2O2BR1 270.00039 NA metacyc NA NA +HMDB06343 Selenocystathionine C7H14N2O4Se 270.01187 http://www.hmdb.ca/metabolites/HMDB06343 HMDB NA NA +HMDB06343 Selenocystathionine C7H14N2O4Se 270.01187 HMDB06343 PFEM_hmdb_metabocards_official NA NA +HMDB06343 Selenocystathionine C7H14N2O4Se 270.011871 NA HMDB2010 NA NA +MJ019757 Selenocystathionine C7H14N2O4Se 270.011878 NA MeJP NA NA +C05699 L-Selenocystathionine C7H14N2O4Se 270.0119 NA KEGG NA NA +C04286 3,5-Dinitro-4-hydroxyphenylpyruvate C9H6N2O8 270.0124 NA KEGG NA NA +MJ019758 Nasutin A C14H6O6 270.016437 NA MeJP NA NA +MJ019759 Nebidrazine C9H8Cl2N6 270.018749 NA MeJP NA NA +C08050 Sulfamethizole C9H10N4O2S2 270.0245 NA KEGG NA NA +MJ019760 Sulfamethizole C9H10N4O2S2 270.024516 NA MeJP NA NA +MJ019761 Djenkolic acid, S-Oxide C7H14N2O5S2 270.034412 NA MeJP NA NA +MJ019762 Bromamid C11H15BrN2O 270.036775 NA MeJP NA NA +MJ019763 1,2-Dithiolo[4,3-b]pyrrol-5(4H)-one; N6-Pentanoyl, N4-Me C11H14N2O2S2 270.049669 NA MeJP NA NA +JH180 Apigenin C15H10O5 270.0506 Rtobs18.87 PFEM_hmdb_metabocards_urine NA urine +JH180 Apigenin [M+H]+ C15H10O5 270.0506 18.87 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH180 Apigenin C15H10O5 270.0506 Rtobs18.87 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH180 Apigenin [M+H]+ C15H10O5 270.0506 18.87 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH180 Apigenin C15H10O5 270.0506 Rtobs18.87 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH180 Apigenin [M+H]+ C15H10O5 270.0506 18.87 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH180 Apigenin C15H10O5 270.0506 Rtobs18.87 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH180 Apigenin C15H10O5 270.0506 Rtobs18.87 HMDB NA NA +JH180 Apigenin C15H10O5 270.0506 Rtobs18.87 Inhouse_PFEM NA NA +JH180 Apigenin [M+H]+ C15H10O5 270.0506 18.87 Inhousejuil11 NA NA +JH180 Apigenin C15H10O5 270.0506 Rtobs18.87 PFEM_hmdb_metabocards_blood NA blood +JH180 Apigenin C15H10O5 270.0506 Rtobs18.87 PFEM_hmdb_metabocards_official NA NA +JH181 Trihydroxyisofl. (3',4',7-) [M+H]+ C15H10O5 270.0522 Rtobs14.89 PFEM_hmdb_metabocards_urine NA urine +JH181 Trihydroxyisofl. (3',4',7-) [M+H]+ C15H10O5 270.0522 14.89 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH181 Trihydroxyisofl. (3',4',7-) [M+H]+ C15H10O5 270.0522 Rtobs14.89 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH181 Trihydroxyisofl. (3',4',7-) [M+H]+ C15H10O5 270.0522 14.89 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH181 Trihydroxyisofl. (3',4',7-) [M+H]+ C15H10O5 270.0522 Rtobs14.89 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH181 Trihydroxyisofl. (3',4',7-) [M+H]+ C15H10O5 270.0522 14.89 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH181 Trihydroxyisofl. (3',4',7-) [M+H]+ C15H10O5 270.0522 Rtobs14.89 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH181 Trihydroxyisofl. (3',4',7-) [M+H]+ C15H10O5 270.0522 Rtobs14.89 HMDB NA NA +JH181 Trihydroxyisofl. (3',4',7-) [M+H]+ C15H10O5 270.0522 Rtobs14.89 Inhouse_PFEM NA NA +JH181 Trihydroxyisofl. (3',4',7-) [M+H]+ C15H10O5 270.0522 14.89 Inhousejuil11 NA NA +JH181 Trihydroxyisofl. (3',4',7-) [M+H]+ C15H10O5 270.0522 Rtobs14.89 PFEM_hmdb_metabocards_blood NA blood +JH181 Trihydroxyisofl. (3',4',7-) [M+H]+ C15H10O5 270.0522 Rtobs14.89 PFEM_hmdb_metabocards_official NA NA +JH183 Genistein [M+H]+ C15H10O5 270.0523 18.64 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH183 Genistein [M+H]+ C15H10O5 270.0523 18.64 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH183 Genistein [M+H]+ C15H10O5 270.0523 18.64 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH183 Genistein [M+H]+ C15H10O5 270.0523 18.64 Inhousejuil11 NA NA +JH185 Trihydroxyisofl. (4',6,7-) [M+H]+ C15H10O5 270.0524 14.91 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH185 Trihydroxyisofl. (4',6,7-) [M+H]+ C15H10O5 270.0524 14.91 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH185 Trihydroxyisofl. (4',6,7-) [M+H]+ C15H10O5 270.0524 14.91 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH185 Trihydroxyisofl. (4',6,7-) [M+H]+ C15H10O5 270.0524 14.91 Inhousejuil11 NA NA +C01477 Apigenin C15H10O5 270.0528 NA KEGG NA NA +C02495 2'-Hydroxydaidzein C15H10O5 270.0528 NA KEGG NA NA +C06563 Genistein C15H10O5 270.0528 NA KEGG NA NA +C08730 Sulphuretin C15H10O5 270.0528 NA KEGG NA NA +C10023 Baicalein C15H10O5 270.0528 NA KEGG NA NA +C10037 5-Deoxykaempferol C15H10O5 270.0528 NA KEGG NA NA +C10044 Galangin C15H10O5 270.0528 NA KEGG NA NA +C10113 Norwogonin C15H10O5 270.0528 NA KEGG NA NA +C10294 Aloe-emodin C15H10O5 270.0528 NA KEGG NA NA +C10343 Emodin C15H10O5 270.0528 NA KEGG NA NA +C10369 Lucidin C15H10O5 270.0528 NA KEGG NA NA +C10376 Morindone C15H10O5 270.0528 NA KEGG NA NA +C10379 Norobtusifolin C15H10O5 270.0528 NA KEGG NA NA +C10397 Purpurin 1-methyl ether C15H10O5 270.0528 NA KEGG NA NA +C14313 3',4',7-Trihydroxyisoflavone C15H10O5 270.0528 NA KEGG NA NA +C14314 4',6,7-Trihydroxyisoflavone C15H10O5 270.0528 NA KEGG NA NA +C15222 3,6,4'-Trihydroxyflavone C15H10O5 270.0528 NA KEGG NA NA +C16796 Islandicin C15H10O5 270.0528 NA KEGG NA NA +FL1A1CNS0001 Sulfuretin;Sulphuretin;6,3',4'-Trihydroxyaurone C15H10O5 270.05282 120-05-8 knapsack NA NA +FL1AAANS0001 4,6,4'-Trihydroxyaurone C15H10O5 270.05282 25078-14-2 knapsack NA NA +FL3F1CNS0001 7,3',4'-Trihydroxyflavone C15H10O5 270.05282 2150-11-0 knapsack NA NA +FL3F98NS0008 5,8,2'-Trihydroxyflavone C15H10O5 270.05282 34285-16-0 knapsack NA NA +FL3F98NS0009 5,2',5'-Trihydroxyflavone C15H10O5 270.05282 120552-44-5 knapsack NA NA +FL3FA8NS0001 5,7,2'-Trihydroxyflavone C15H10O5 270.05282 73046-40-9 knapsack NA NA +FL3FAANS0001 Apigenin;5,7,4'-trihydroxyflavone C15H10O5 270.05282 520-36-5 knapsack NA NA +FL3FE9NS0001 Baicalein;Noroxylin;5,6,7-Trihydroxyflavone C15H10O5 270.05282 491-67-8 knapsack NA NA +FL3FF9NS0001 Norwogonin C15H10O5 270.05282 08/09/4443 knapsack NA NA +FL5F1ANS0001 Resokaempferol C15H10O5 270.05282 2034-65-3 knapsack NA NA +FL5FA9NS0002 Galangin; Norizalpinin;3,5,7-Trihydroxyflavone;3,5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one C15H10O5 270.05282 548-83-4 knapsack NA NA +FLIA1CNS0003 3'-Hydroxydaidzein C15H10O5 270.05282 485-63-2 knapsack NA NA +FLIA1LNS0003 2'-Hydroxydaidzein C15H10O5 270.05282 7678-85-8 knapsack NA NA +FLIA2ANS0003 Demethyltexasin C15H10O5 270.05282 17817-31-1 knapsack NA NA +FLIA3ANS0004 8-Hydroxydaidzein;7,8,4'-Trihydroxyisoflavone C15H10O5 270.05282 75187-63-2 knapsack NA NA +FLIAA9NS0004 5,7,3'-Trihydroxyisoflavone C15H10O5 270.05282 96657-99-7 knapsack NA NA +FLIAAANS0001 Genistein;Prunetol;Sophoricol;Genisteol;Differenol A;5,7,4'-Trihydroxyisoflavone C15H10O5 270.05282 446-72-0 knapsack NA NA +FLII1CNS0002 2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran C15H10O5 270.05282 67121-26-0 knapsack NA NA +MJ019764 Apigenin C15H10O5 270.052823 NA MeJP NA NA +MJ019765 1,2,3-Trihydroxyxanthone; 2,3-Methylene 1-Me ether C15H10O5 270.052823 NA MeJP NA NA +MJ019766 1,2,4-Trihydroxy-3-methylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019767 1,2,5-Trihydroxy-3-methylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019768 1,2,5-Trihydroxy-6-methylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019769 1,2,5-Trihydroxyanthraquinone; 2-Me ether C15H10O5 270.052823 NA MeJP NA NA +MJ019770 1,2,6-Trihydroxyanthraquinone; 2-Me ether C15H10O5 270.052823 NA MeJP NA NA +MJ019771 1,2,7-Trihydroxy-6-methylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019772 1,2,8-Trihydroxy-3-methylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019773 1,2,8-Trihydroxy-6-methylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019774 1,3,6-Trihydroxy-2-methylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019775 1,3,6-Trihydroxy-8-methylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019776 1,3,7-Trihydroxy-6-methylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019777 1,3,8-Trihydroxy-2-methylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019778 1,3,8-Trihydroxy-6-methylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019779 1,3,8-Trihydroxyanthraquinone; 1-Me ether C15H10O5 270.052823 NA MeJP NA NA +MJ019780 1,3,8-Trihydroxyanthraquinone; 3-Me ether C15H10O5 270.052823 NA MeJP NA NA +MJ019781 1,3-Dihydroxy-2-hydroxymethylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019782 1,4,5-Trihydroxy-2-methylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019783 1,4,5-Trihydroxy-7-methylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019784 1,4,6-Trihydroxy-7-methylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019785 1,4,6-Trihydroxyanthraquinone; 4-Me ether C15H10O5 270.052823 NA MeJP NA NA +MJ019786 1,4,8-Trihydroxy-2-methylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019787 1,4-Dihydroxy-2-hydroxymethylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019788 1,5-Dihydroxy-2-hydroxymethylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019789 1,5-Dihydroxy-3-hydroxymethylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019790 1,6-Dihydroxy-3-(hydroxymethyl)anthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019791 1,8-Dihydroxy-3-hydroxymethylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019792 2',3,4'-Trihydroxyflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019793 2',4',7-Trihydroxyisoflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019794 2',5,5'-Trihydroxyflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019795 2',5,7-Trihydroxyflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019796 2',5,7-Trihydroxyisoflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019797 2',5,8-Trihydroxyflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019798 2,3,4-Trihydroxyxanthone; 4-Me, 2,3-methylene ether C15H10O5 270.052823 NA MeJP NA NA +MJ019799 2,8-Dihydroxy-1-hydroxymethylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019800 2-(1-Hydroxyethyl)-6-methoxynaphtho[2,3-b]furan-4,9-quinone; 1'-Ketone C15H10O5 270.052823 NA MeJP NA NA +MJ019801 2-(2,4-Dihydroxyphenyl)-5,6-methylenedioxybenzofuran C15H10O5 270.052823 NA MeJP NA NA +MJ019802 2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione; Me ether C15H10O5 270.052823 NA MeJP NA NA +MJ019803 3',4',6-Trihydroxyaurone C15H10O5 270.052823 NA MeJP NA NA +MJ019804 3',4',7-Trihydroxyflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019805 3',4',7-Trihydroxyisoflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019806 3',5,7-Trihydroxyisoflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019807 3,4',7-Trihydroxyflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019808 3,5,7-Trihydroxyflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019809 3,5,8-Trihydroxy-1-methylanthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019810 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one C15H10O5 270.052823 NA MeJP NA NA +MJ019811 4',5,7-Trihydroxyflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019812 4',5,7-Trihydroxyisoflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019813 4',6,7-Trihydroxyisoflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019814 4',7,8-Trihydroxyflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019815 4',7,8-Trihydroxyisoflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019816 4,4',6-Trihydroxyaurone C15H10O5 270.052823 NA MeJP NA NA +MJ019817 4,6-Dihydroxy-3-(4-hydroxybenzylidene)-2(3H)-benzofuranone C15H10O5 270.052823 NA MeJP NA NA +MJ019818 5,6,7-Trihydroxyflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019819 5,7,10-Trihydroxy-2-methyl-1,4-anthraquinone C15H10O5 270.052823 NA MeJP NA NA +MJ019820 5,7,8-Trihydroxyflavone C15H10O5 270.052823 NA MeJP NA NA +MJ019821 5,7-Dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one C15H10O5 270.052823 NA MeJP NA NA +MJ019822 6-Hydroxy-2-oxo-2H-naptho[1,2-b]pyran-5-carboxylic acid; Me ester C15H10O5 270.052823 NA MeJP NA NA +MJ019823 8-Hydroxyxanthone-1-carboxylic acid; Me ester C15H10O5 270.052823 NA MeJP NA NA +MJ019824 9,10-Dihydro-4,5-dihydroxy-10-oxo-2-anthracenecarboxylic acid C15H10O5 270.052823 NA MeJP NA NA +MJ019825 Chalaurenol C15H10O5 270.052823 NA MeJP NA NA +MJ019826 Nivegin C15H10O5 270.052823 NA MeJP NA NA +MJ019827 Porphyrilin C15H10O5 270.052823 NA MeJP NA NA +MJ019828 Rauianin C15H10O5 270.052823 NA MeJP NA NA +MJ019829 Strepsilin C15H10O5 270.052823 NA MeJP NA NA +MJ019830 Thunberginol F C15H10O5 270.052823 NA MeJP NA NA +MJ019831 2',3,4',7-Tetrahydroxyflavylium(1+) C15H11O5(+) 270.052823 NA MeJP NA NA +MJ019832 3,3',4',7-Tetrahydroxyflavylium(1+) C15H11O5(+) 270.052823 NA MeJP NA NA +MJ019833 3,4',5,7-Tetrahydroxyflavylium(1+) C15H11O5(+) 270.052823 NA MeJP NA NA +MetaCyc02409 isoflavone [] C15H10O5 270.052823 574-12-9 metacyc NA NA +MetaCyc02410 sulfuretin [] C15H10O5 270.052823 NA metacyc NA NA +MetaCyc02411 6,7,4'-trihydroxyisoflavone [] C15H10O5 270.052823 NA metacyc NA NA +MetaCyc02412 apigenin [4',5,7-Trihydroxyflavone;] C15H10O5 270.052823 520-36-5 metacyc NA NA +MetaCyc02413 2'-hydroxydaidzein [] C15H10O5 270.052823 NA metacyc NA NA +MetaCyc02414 genistein [isoflavone;5,7,4'-trihydroxyisoflavone;] C15H10O5 270.052823 NA metacyc NA NA +HMDB02124 Apigenin C15H10O5 270.052826 NA HMDB2010 NA NA +HMDB03217 Genistein C15H10O5 270.052826 NA HMDB2010 NA NA +HMDB03217 Genistein C15H10O5 270.05283 http://www.hmdb.ca/metabolites/HMDB03217 PFEM_hmdb_metabocards_urine NA urine +HMDB02124 Apigenin C15H10O5 270.05283 http://www.hmdb.ca/metabolites/HMDB02124 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03217 Genistein C15H10O5 270.05283 http://www.hmdb.ca/metabolites/HMDB03217 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03217 Genistein C15H10O5 270.05283 http://www.hmdb.ca/metabolites/HMDB03217 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB03217 Genistein C15H10O5 270.05283 http://www.hmdb.ca/metabolites/HMDB03217 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02124 Apigenin C15H10O5 270.05283 http://www.hmdb.ca/metabolites/HMDB02124 HMDB NA NA +HMDB03217 Genistein C15H10O5 270.05283 http://www.hmdb.ca/metabolites/HMDB03217 HMDB NA NA +HMDB02124 Apigenin C15H10O5 270.05283 http://www.hmdb.ca/metabolites/HMDB02124 PFEM_hmdb_metabocards_blood NA blood +HMDB03217 Genistein C15H10O5 270.05283 http://www.hmdb.ca/metabolites/HMDB03217 PFEM_hmdb_metabocards_blood NA blood +HMDB02124 Apigenin C15H10O5 270.05283 HMDB02124 PFEM_hmdb_metabocards_official NA NA +HMDB03217 Genistein C15H10O5 270.05283 HMDB03217 PFEM_hmdb_metabocards_official NA NA +MJ019834 Diazepam; N-De-Me C15H11ClN2O 270.05599 NA MeJP NA NA +MJ019835 Mecloqualone C15H11ClN2O 270.05599 NA MeJP NA NA +C07486 Nordazepam C15H11ClN2O 270.056 NA KEGG NA NA +MJ019836 3,5-Dialkyl-1,2,4-trithiolanes; 3-Benzyl-5-(2-methylpropyl)-1,2,4-trithiolane C13H18S3 270.057062 NA MeJP NA NA +C07905 Leflunomide C12H9F3N2O2 270.0616 NA KEGG NA NA +C07906 Transferred to D00750 C12H9F3N2O2 270.0616 NA KEGG NA NA +C07907 Transferred to D00751 C12H9F3N2O2 270.0616 NA KEGG NA NA +MJ019837 Leflunomide C12H9F3N2O2 270.061612 NA MeJP NA NA +MJ019838 2-Amino-3-oxo-3H-phenoxazine-8-carboxylic acid; N2-Me C14H10N2O4 270.064056 NA MeJP NA NA +MJ019839 2-Methoxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid C14H10N2O4 270.064056 NA MeJP NA NA +MJ019840 9-Hydroxy-6-hydroxymethyl-1-phenazinecarboxylic acid C14H10N2O4 270.064056 NA MeJP NA NA +C15296 4,4'-Dinitrostilbene C14H10N2O4 270.0641 NA KEGG NA NA +MJ019841 1,7,8,8a-Tetrahydro-7,8-dihydroxy-7-methyl-3-(1-propenyl)-6H-2-benzopyran-6-one; 5-Chloro C13H15ClO4 270.065886 NA MeJP NA NA +MJ019842 9-Chloro-p-mentha-1,3,5,8-tetraene-2,5,10-triol; 2-Me ether, 10-Ac C13H15ClO4 270.065886 NA MeJP NA NA +C17238 S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine C11H14N2O4S 270.0674 NA KEGG NA NA +PARAC008 Cysteine Paracetamol 270.0678 RT4.7 PFEM_hmdb_metabocards_urine NA urine +PARAC008 Cysteine Paracetamol 270.0678 RT4.7 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC008 Cysteine Paracetamol 270.0678 RT4.7 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC008 Cysteine Paracetamol 270.0678 RT4.7 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC008 Cysteine Paracetamol 270.0678 RT4.7 HMDB NA NA +PARAC008 Cysteine Paracetamol 270.0678 RT4.7 Inhouse_PFEM NA NA +PARAC008 Cysteine Paracetamol 270.0678 RT4.7 PFEM_hmdb_metabocards_blood NA blood +PARAC008 Cysteine Paracetamol 270.0678 RT4.7 PFEM_hmdb_metabocards_official NA NA +MJ019843 2,6-Dihydroxy-7-methyl-1-(methylthio)phenanthrene C16H14O2S 270.07145 NA MeJP NA NA +C01726 D-Lombricine C6H15N4O6P 270.0729 NA KEGG NA NA +C14177 Lombricine C6H15N4O6P 270.0729 NA KEGG NA NA +MJ019844 Lombricine C6H15N4O6P 270.07292 NA MeJP NA NA +MetaCyc02415 lombricine [] C6H15N4O6P1 270.072921 18416-85-8 metacyc NA NA +MJ019845 Cyathiformine A C12H14O7 270.073952 NA MeJP NA NA +MJ019846 Islandic acid II; Me ester C12H14O7 270.073952 NA MeJP NA NA +MJ019847 3-(2-Dimethylaminoethyl)-4-hydroxyindole; N-De-Me, O-phosphate C11H15N2O4P 270.076943 NA MeJP NA NA +MJ019848 4-Hydroxy-3-pyridinecarboxylic acid; NH-form, 1-?-D-Ribofuranosyl, amide C11H14N2O6 270.085186 NA MeJP NA NA +MJ019849 4-Hydroxy-3-pyridinecarboxylic acid; NH-form, 1-?-D-Ribofuranosyl, amide C11H14N2O6 270.085186 NA MeJP NA NA +MJ019850 Clitidine C11H14N2O6 270.085186 NA MeJP NA NA +C01729 (+)-Medicarpin C16H14O4 270.0892 NA KEGG NA NA +C01731 Mercury mercaptide HgS2R2 270.0892 NA KEGG NA NA +C08993 Vignafuran C16H14O4 270.0892 NA KEGG NA NA +C09053 Alloimperatorin C16H14O4 270.0892 NA KEGG NA NA +C09269 Imperatorin C16H14O4 270.0892 NA KEGG NA NA +C09939 Strobopinin C16H14O4 270.0892 NA KEGG NA NA +C10503 (-)-Medicarpin C16H14O4 270.0892 NA KEGG NA NA +C15531 2'-O-Methylisoliquiritigenin C16H14O4 270.0892 NA KEGG NA NA +C16419 Pinostrobin C16H14O4 270.0892 NA KEGG NA NA +C16976 Isoimperatorin C16H14O4 270.0892 NA KEGG NA NA +FL1C1ANS0002 Isoliquiritigenin 4-methyl ether C16H14O4 270.0892 81674-91-1 knapsack NA NA +FL1C1ANS0003 Isoliquiritigenin 2'-methy ether C16H14O4 270.0892 51825-10-5 knapsack NA NA +FL1C1ANS0004 Isoliquiritigenin 4'-methyl ether C16H14O4 270.0892 63529-06-6 knapsack NA NA +FL1C29NS0001 Flemichapparin C16H14O4 270.0892 28143-82-0 knapsack NA NA +FL1C39NS0001 Larrein C16H14O4 270.0892 57361-84-9 knapsack NA NA +FL1C9ANS0002 2',5'-Dihydroxy-4-methoxychalcone C16H14O4 270.0892 6342-92-3 knapsack NA NA +FL1CA9NS0002 2',6'-Dihydroxy-4'-methoxychalcone C16H14O4 270.0892 18956-15-5 knapsack NA NA +FL1CA9NS0003 Cardamonin C16H14O4 270.0892 19309-14-9 knapsack NA NA +FL1CRTNS0001 Echinatin C16H14O4 270.0892 34221-45-5 knapsack NA NA +FL1CUNNS0004 Methyllucidone C16H14O4 270.0892 19956-54-8 knapsack NA NA +FL2F1ANS0002 Methyl-liquiritigenin C16H14O4 270.0892 61504-06-1 knapsack NA NA +FL2F1ANS0003 4'-Methylliquiritigenin C16H14O4 270.0892 116384-18-0 knapsack NA NA +FL2F39NS0001 7-Hydroxy-8-methoxyflavanone C16H14O4 270.0892 57361-85-0 knapsack NA NA +FL2FA9NM0001 Strobopinin C16H14O4 270.0892 491-66-7 knapsack NA NA +FL2FA9NM0004 Cryptostrobin C16H14O4 270.0892 55743-21-0 knapsack NA NA +FL2FA9NS0002 Alpinetin C16H14O4 270.0892 36052-37-6 knapsack NA NA +FL2FA9NS0003 Pinostrobin C16H14O4 270.0892 480-37-5 knapsack NA NA +FL6F1CNS0005 7-Hydroxy-3',4'-methylenedioxyflavan C16H14O4 270.0892 95519-19-0 knapsack NA NA +FLIB1ANS0002 Dihydroformononetin;7-Hydroxy-4'-methoxyisoflavanone C16H14O4 270.0892 4626-22-6 knapsack NA NA +FLICWXNS0002 Haginin B;7,4'-Dihydroxy-2'-methoxyisoflavene C16H14O4 270.0892 74174-31-5 knapsack NA NA +FLID1ANS0001 (-)-Medicarpin C16H14O4 270.0892 32383-76-9 knapsack NA NA +FLID1ANS0003 Isomedicarpin;9-Hydroxy-3-methoxypterocarpan C16H14O4 270.0892 74560-05-7 knapsack NA NA +FLII1ANS0001 Vignafuran;2-(4-Hydroxy-2-methoxyphenyl)-6-methoxybenzofuran C16H14O4 270.0892 57800-41-6 knapsack NA NA +FLND2ANS0001 (S)-4'-Hydroxy-4-methoxydalbergione C16H14O4 270.0892 3755-63-3 knapsack NA NA +MJ019851 1,2,5,7-Phenanthrenetetrol; 1,5-Di-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019852 1,2-Bis(3,4-dihydroxyphenyl)ethane; 3,4;3',4'-Bismethylene ether C16H14O4 270.089208 NA MeJP NA NA +MJ019853 1,3,8,9-Tetrahydroxy-6-methylanthracene; 1-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019854 1,3,8,9-Tetrahydroxy-6-methylanthracene; 3-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019855 2',3',4'-Trihydroxychalcone; 3'-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019856 2',4',5'-Trihydroxychalcone; 5'-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019857 2',4',6'-Trihydroxychalcone; 2'-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019858 2',4',6'-Trihydroxychalcone; 4'-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019859 2',4',7-Trihydroxyisoflavene; 2'-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019860 2',4',7-Trihydroxyisoflavene; 4'-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019861 2',4,4'-Trihydroxy-3-methylchalcone C16H14O4 270.089208 NA MeJP NA NA +MJ019862 2',4,4'-Trihydroxychalcone; 2'-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019863 2',4,4'-Trihydroxychalcone; 4'-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019864 2',4,4'-Trihydroxychalcone; 4-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019865 2',4,5'-Trihydroxychalcone; 4-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019866 2,3,4,5-Phenanthrenetetrol; 2,4-Di-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019867 2,3,4,5-Phenanthrenetetrol; 3,4-Di-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019868 2,3,4,7-Phenanthrenetetrol; 2,4-Di-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019869 2,3,4,7-Phenanthrenetetrol; 3,4-Di-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019870 2,3,5,7-Phenanthrenetetrol; 3,5-Di-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019871 2,3,5,7-Phenanthrenetetrol; 5,7-Di-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019872 2,4,4'-Trihydroxychalcone, 2-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019873 2,4,5,9-Phenanthrenetetrol; 4,9-Di-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019874 2,4-Dihydroxy-6-(2-phenylethenyl)benzoic acid, 4-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019875 2-(2,4-Dihydroxyphenyl)-6-hydroxybenzofuran; 2',6-Di-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019876 2-Methylteretifolione A C16H14O4 270.089208 NA MeJP NA NA +MJ019877 3',4',7-Trihydroxyflavan, 3',4'-Methylene ether C16H14O4 270.089208 NA MeJP NA NA +MJ019878 3,7-Dihydroxyflavanone, 7-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019879 3,9-Dihydroxypterocarpan, 3-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019880 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, Benzyl ester C16H14O4 270.089208 NA MeJP NA NA +MJ019881 3-Hydroxy-9-methoxypterocarpan C16H14O4 270.089208 NA MeJP NA NA +MJ019882 3-Methyl-1,2,7,8-anthracenetetrol; 1-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019883 4',7-Dihydroxyflavanone, 4'-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019884 4',7-Dihydroxyflavanone, 7-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019885 4',7-Dihydroxyisoflavanone, 4'-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019886 4-Methoxydalbergione, 4'-Hydroxy C16H14O4 270.089208 NA MeJP NA NA +MJ019887 5,7-Dihydroxy-6-methylflavanone C16H14O4 270.089208 NA MeJP NA NA +MJ019888 5,7-Dihydroxy-8-methylflavanone C16H14O4 270.089208 NA MeJP NA NA +MJ019889 5,7-Dihydroxyflavanone, 7-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019890 5,7-Dihydroxyflavanone, 5-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019891 5,7-Dihydroxyflavanone, 7-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019892 5,8-Dihydroxy-2-(4-methyl-1,3-pentadienyl)-1,4-naphthoquinone C16H14O4 270.089208 NA MeJP NA NA +MJ019893 5-Hydroxy-6-(1,1-dimethyl-2-propenyl)angelicin C16H14O4 270.089208 NA MeJP NA NA +MJ019894 5-Hydroxy-6-methoxy-2-methyl-3-phenylbenzofuran; 1'-Hydroxy C16H14O4 270.089208 NA MeJP NA NA +MJ019895 6-Hydroxy-2H-furo[2,3-h]-1-benzopyran-2-one; O-(3-Methyl-2-butenyl) C16H14O4 270.089208 NA MeJP NA NA +MJ019896 7,8-Dihydroxyflavanone, 8-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019897 7-Hydroxy-3-(4-hydroxybenzyl)-4-chromanone C16H14O4 270.089208 NA MeJP NA NA +MJ019898 Alloimperatorin C16H14O4 270.089208 NA MeJP NA NA +MJ019899 Alloisoimperatorin C16H14O4 270.089208 NA MeJP NA NA +MJ019900 Bakeprofen C16H14O4 270.089208 NA MeJP NA NA +MJ019901 Cepacin A C16H14O4 270.089208 NA MeJP NA NA +MJ019902 Dehydroiso-?-lapachone, 5-Methoxy C16H14O4 270.089208 NA MeJP NA NA +MJ019903 Dehydroiso-?-lapachone, 8-Methoxy C16H14O4 270.089208 NA MeJP NA NA +MJ019904 Demethylcacalohastine; 3,4-Didehydro, 13-hydroxy, 15-oxo, 9-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019905 Flavidin; 3-Hydroxy, 2-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019906 Flavidin; 6-Hydroxy, 7-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019907 Flavidin; 8-Hydroxy, 2-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019908 Furopinnarin; O-De-Me C16H14O4 270.089208 NA MeJP NA NA +MJ019909 Hydrangenol, 4'-Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019910 Hyperolactone C C16H14O4 270.089208 NA MeJP NA NA +MJ019911 Imperatorin C16H14O4 270.089208 NA MeJP NA NA +MJ019912 Isobergaptol; O-(3-Methyl-2-butenyl) C16H14O4 270.089208 NA MeJP NA NA +MJ019913 Isoimperatorin C16H14O4 270.089208 NA MeJP NA NA +MJ019914 Lucidone; Me ether C16H14O4 270.089208 NA MeJP NA NA +MJ019915 Maturin C16H14O4 270.089208 NA MeJP NA NA +MJ019916 Pacharin C16H14O4 270.089208 NA MeJP NA NA +MJ019917 Parviflorin C16H14O4 270.089208 NA MeJP NA NA +MJ019918 Praemorsin C16H14O4 270.089208 NA MeJP NA NA +MJ019919 Swietenocoumarin A; 2',3'-Epoxide C16H14O4 270.089208 NA MeJP NA NA +MJ019920 Swietenocoumarin A; ?1'-Isomer, 3'-hydroxy C16H14O4 270.089208 NA MeJP NA NA +MJ019921 Swietenone C16H14O4 270.089208 NA MeJP NA NA +MJ019922 Xanthotoxol; O-(3-Methyl-3-butenyl) C16H14O4 270.089208 NA MeJP NA NA +MetaCyc02416 pinostrobin [(S)-2,3-Dihydro-5-hydroxy-7-methoxy-2-phenyl-4-benzopyrone;] C16H14O4 270.089209 NA metacyc NA NA +MetaCyc02417 (-)-medicarpin [(6aR,11aR)-medicarpin;demethylhomopterocarpin;] C16H14O4 270.089209 NA metacyc NA NA +MetaCyc02418 2'-O-methylisoliquiritigenin [4,4'-dihydroxy-2'-methoxy chalcone;] C16H14O4 270.089209 NA metacyc NA NA +MJ019923 Medazepam C16H15ClN2 270.092376 NA MeJP NA NA +MJ019924 D-erythro-L-galacto-Nonulose C9H18O9 270.095082 NA MeJP NA NA +MJ019925 D-erythro-L-gluco-Nonulose C9H18O9 270.095082 NA MeJP NA NA +C04583 6-Hydroxyl-1,6-dihydropurine ribonucleoside C10H14N4O5 270.0964 NA KEGG NA NA +PJ000132 DH C10H14N4O5 270.0964 NA PeJP NA NA +MJ019926 N?-Aspartylhistidine; L-L-form C10H14N4O5 270.096419 NA MeJP NA NA +C07495 Dihydroxycarbazepine C15H14N2O3 270.1004 NA KEGG NA NA +MJ019927 1,2,6-Trimethoxyphenazine C15H14N2O3 270.100442 NA MeJP NA NA +MJ019928 ?-Carboline-1-propanoic acid; 6-Hydroxy, Me ester C15H14N2O3 270.100442 NA MeJP NA NA +MJ019929 ?-Carboline-1-propanoic acid; 6-Methoxy C15H14N2O3 270.100442 NA MeJP NA NA +MJ019930 ?-Carboline-1-propanoic acid; 7-Methoxy C15H14N2O3 270.100442 NA MeJP NA NA +MJ019931 Aaptosamine C15H14N2O3 270.100442 NA MeJP NA NA +MJ019932 Anilamate C15H14N2O3 270.100442 NA MeJP NA NA +MJ019933 Antibiotic NG 061 C15H14N2O3 270.100442 NA MeJP NA NA +MJ019934 Oxopropaline D C15H14N2O3 270.100442 NA MeJP NA NA +MJ019935 Illifunone, 12-Deoxy, 12-chloro C14H19ClO3 270.102272 NA MeJP NA NA +C07148 Tolbutamide C12H18N2O3S 270.1038 NA KEGG NA NA +MJ019936 Tolbutamide C12H18N2O3S 270.103813 NA MeJP NA NA +CJneg0489 2-ethylsuberic acid [(M-H)+(HCOONa)]- C11H18NaO6 270.108525 C18rt(min)=6.6 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0489 2-ethylsuberic acid [(M-H)+(HCOONa)]- C11H18NaO6 270.108525 C18rt(min)=6.6 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ019937 2',3',4',5',6'-Pentahydroxyacetophenone; Penta-Me ether C13H18O6 270.110338 NA MeJP NA NA +MJ019938 5-Methyl-1,3-benzenediol; O-?-L-Rhamnopyranoside C13H18O6 270.110338 NA MeJP NA NA +MJ019939 Benzyl glucopyranoside; ?-D-form C13H18O6 270.110338 NA MeJP NA NA +MJ019940 Razobazam C14H14N4O2 270.111675 NA MeJP NA NA +C07877 Chloroprocaine C13H19ClN2O2 270.1135 NA KEGG NA NA +C07878 Transferred to D00732 C13H19ClN2O2 270.1135 NA KEGG NA NA +MJ019941 Chloroprocaine C13H19ClN2O2 270.113505 NA MeJP NA NA +CJpos0670 Phe Ser Ser Phe [(M+H)+(H2O)]+ C12H19N2O5 270.120975 C18rt(min)=5.01 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0670 Phe Ser § Ser Phe [(M+H)+(H2O)]+ C12H19N2O5 270.120975 C18rt(min)=5.01 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ019942 Antibiotic OM 001 C12H18N2O5 270.121571 NA MeJP NA NA +MJ019943 Bacilysin C12H18N2O5 270.121571 NA MeJP NA NA +MJ019944 Epervudine C12H18N2O5 270.121571 NA MeJP NA NA +MJ019945 Glucose 3-nitropropanoates; 1,6-Bis-(3-nitropropanoyl)-?-D-glucopyranose C12H18N2O5 270.121571 NA MeJP NA NA +MJ019946 Hypoglycin B C12H18N2O5 270.121571 NA MeJP NA NA +C08280 L-gamma-Glutamyl-L-hypoglycin C12H18N2O5 270.1216 NA KEGG NA NA +FL1DUNNM0001 4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione C17H18O3 270.12559 34328-56-8 knapsack NA NA +FL6F1ANM0002 4'-Hydroxy-7-methoxy-8-methylflavan C17H18O3 270.12559 27348-55-6 knapsack NA NA +FL6FA9NM0001 7-Hydroxy-5-methoxy-6-methylflavan C17H18O3 270.12559 35290-19-8 knapsack NA NA +FL6FA9NS0002 Tephrowatsin E C17H18O3 270.12559 97640-83-0 knapsack NA NA +FLNC29NS0003 (R)-5-Hydroxy-2,4-dimethoxydalbergiquinol C17H18O3 270.12559 82358-44-9 knapsack NA NA +MJ019947 1-(2,6-Dihydroxyphenyl)-5-phenyl-1-pentanone C17H18O3 270.125594 NA MeJP NA NA +MJ019948 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, Tri-Me ether C17H18O3 270.125594 NA MeJP NA NA +MJ019949 2,2,4-Trimethyl-5-(1-oxo-3-phenylpropyl)-4-cyclopentene-1,3-dione C17H18O3 270.125594 NA MeJP NA NA +MJ019950 2,3,5-Phenanthrenetriol; 9,10-Dihydro, tri-Me ether C17H18O3 270.125594 NA MeJP NA NA +MJ019951 2,3,7-Phenanthrenetriol; 9,10-Dihydro, tri-Me ether C17H18O3 270.125594 NA MeJP NA NA +MJ019952 2,5,6-Phenanthrenetriol; 9,10-Dihydro, tri-Me ether C17H18O3 270.125594 NA MeJP NA NA +MJ019953 2,5-Dihydroxy-3-(3-methyl-2-butenyl)-6-(3-methyl-3-buten-1-ynyl)benzaldehyde C17H18O3 270.125594 NA MeJP NA NA +MJ019954 3,11-Tridecadiene-5,7,9-triyne-1,2-diol, 2-O-(2-Methylpropanoyl) C17H18O3 270.125594 NA MeJP NA NA +MJ019955 3,4,5-Trimethylnaphtho[2,3-b]furan-6,8-diol; Di-Me ether C17H18O3 270.125594 NA MeJP NA NA +MJ019956 3-(1,1-Dimethyl-2-propenyl)-4-methoxy-6-phenyl-2H-pyran-2-one C17H18O3 270.125594 NA MeJP NA NA +MJ019957 4',7-Dihydroxy-8-methylflavan, 7-Me ether C17H18O3 270.125594 NA MeJP NA NA +MJ019958 4-(3-Phenyl-2-propenyl)-1,2,3-benzenetriol, 2',3'-Di-Me ether C17H18O3 270.125594 NA MeJP NA NA +MJ019959 4-(3-Phenyl-2-propenyl)-1,2,3-benzenetriol, 2',4'-Di-Me ether C17H18O3 270.125594 NA MeJP NA NA +MJ019960 4b?,7-Dihydroxy-1-methyl-8-methylene-1,3,4a(10a)-gibbatrien-10-one C17H18O3 270.125594 NA MeJP NA NA +MJ019961 5,7-Dihydroxyflavan, 5,7-Di-Me ether C17H18O3 270.125594 NA MeJP NA NA +MJ019962 9,10-Dihydro-4-(hydroxymethyl)-1,8-dimethyl-2,7-phenanthrenediol C17H18O3 270.125594 NA MeJP NA NA +MJ019963 Dalbergiphenol C17H18O3 270.125594 NA MeJP NA NA +MJ019964 Daphneolone C17H18O3 270.125594 NA MeJP NA NA +MJ019965 Demethylcacalohastine; 3,4-Didehydro, 14-methoxy, 9-Me ether C17H18O3 270.125594 NA MeJP NA NA +MJ019966 Hyperenone A C17H18O3 270.125594 NA MeJP NA NA +MJ019967 Neocryptotanshinone II C17H18O3 270.125594 NA MeJP NA NA +MJ019968 Sargasal II C17H18O3 270.125594 NA MeJP NA NA +MJ019969 Violastyrene C17H18O3 270.125594 NA MeJP NA NA +MJ019970 1-Azabicyclo[2.2.1]heptan-3-one O-[3-(3-methoxyphenyl)-2-propynyl]oxime C16H18N2O2 270.136827 NA MeJP NA NA +MJ019971 Albonoursin, 1-N-Me C16H18N2O2 270.136827 NA MeJP NA NA +MJ019972 Butanixin C16H18N2O2 270.136827 NA MeJP NA NA +MJ019973 Chanoclavine I, Carboxylic acid C16H18N2O2 270.136827 NA MeJP NA NA +MJ019974 Clavicipitic acid I; Natural-form C16H18N2O2 270.136827 NA MeJP NA NA +MJ019975 Domoxin C16H18N2O2 270.136827 NA MeJP NA NA +MJ019976 Etonam C16H18N2O2 270.136827 NA MeJP NA NA +MJ019977 Molliclavine C16H18N2O2 270.136827 NA MeJP NA NA +MJ019978 N,N'-Dibenzylurea; 4''-Methoxy C16H18N2O2 270.136827 NA MeJP NA NA +MJ019979 Penniclavine C16H18N2O2 270.136827 NA MeJP NA NA +MJ019980 Pimetremide C16H18N2O2 270.136827 NA MeJP NA NA +MJ019981 Quinolactacin A C16H18N2O2 270.136827 NA MeJP NA NA +MJ019982 2-Chloro-3-hydroxy-7-chamigren-9-one C15H23ClO2 270.138657 NA MeJP NA NA +MJ019983 4-Chloro-3,7-epoxy-9-chamigranone C15H23ClO2 270.138657 NA MeJP NA NA +MJ019984 10-Hydroxy-4,9-dimethyl-3,6-dodecadienedioic acid C14H22O5 270.146723 NA MeJP NA NA +MJ019985 5,8-Dihydroxy-2,6-dodecadienoic acid, 8-Ac C14H22O5 270.146723 NA MeJP NA NA +MJ019986 Botrylactone C14H22O5 270.146723 NA MeJP NA NA +MJ019987 Illifunone, 5,6-Dihydro, 5S-hydroxy C14H22O5 270.146723 NA MeJP NA NA +MJ019988 2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; 1,3,N8,N8-Tetra-Me C14H18N6 270.159294 NA MeJP NA NA +MJ019989 2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; 1,N2,N8,N8-Tetra-Me C14H18N6 270.159294 NA MeJP NA NA +MJ019990 Pseudozoanthoxin A; 1,3,N6,N6-Tetra-Me C14H18N6 270.159294 NA MeJP NA NA +MJ019991 Pseudozoanthoxin A; 1,N2,N2,N6-Tetra-Me C14H18N6 270.159294 NA MeJP NA NA +MJ019992 Pseudozoanthoxin A; 3,N2,N6,N6-Tetra-Me C14H18N6 270.159294 NA MeJP NA NA +MJ019993 Pseudozoanthoxin A; N2,N2,N6,N6-Tetra-Me C14H18N6 270.159294 NA MeJP NA NA +EUR393 Estrone F1 NA 270.161075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR393 Estrone F1 NA 270.161075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR393 Estrone F1 NA 270.161075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR393 Estrone F1 NA 270.161075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR393 Estrone F1 NA 270.161075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR393 Estrone F1 NA 270.161075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR393 Estrone F1 NA 270.161075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR393 Estrone F1 NA 270.161075 standards wishlist analysés sur QTOF HMDB NA NA +EUR393 Estrone F1 NA 270.161075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR393 Estrone F1 NA 270.161075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR393 Estrone F1 NA 270.161075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR393 Estrone F1 NA 270.161075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ019994 Estrone C18H22O2 270.161979 NA MeJP NA NA +MJ019995 15-Octadecene-9,11,13-triynoic acid C18H22O2 270.161979 NA MeJP NA NA +MJ019996 16,17-Epoxyestra-1,3,5(10)-trien-3-ol C18H22O2 270.161979 NA MeJP NA NA +MJ019997 16-Oxo-9,17-octadecadiene-12,14-diyn-1-al C18H22O2 270.161979 NA MeJP NA NA +MJ019998 17-Octadecene-9,11,13-triynoic acid C18H22O2 270.161979 NA MeJP NA NA +MJ019999 2,3-Bis(4-hydroxyphenyl)-2,3-dimethylbutane C18H22O2 270.161979 NA MeJP NA NA +MJ020000 3,4-Bis(4-hydroxyphenyl)hexane C18H22O2 270.161979 NA MeJP NA NA +MJ020001 4-Tridecene-7,9,11-triyn-1-ol, 3-Methylbutanoyl C18H22O2 270.161979 NA MeJP NA NA +MJ020002 6,8,14-Hexadecatriene-10,12-diyn-1-ol, Ac C18H22O2 270.161979 NA MeJP NA NA +MJ020003 6-Acetyl-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran C18H22O2 270.161979 NA MeJP NA NA +MJ020004 7,9,15-Heptadecatriene-11,13-diynoic acid, Me ester C18H22O2 270.161979 NA MeJP NA NA +MJ020005 Chamanen C18H22O2 270.161979 NA MeJP NA NA +MJ020006 Estrone C18H22O2 270.161979 NA MeJP NA NA +MJ020007 Faveline C18H22O2 270.161979 NA MeJP NA NA +MJ020008 Tanzawaic acid C; 1-Deoxy, 1,2,4a,8a-tetradehydro C18H22O2 270.161979 NA MeJP NA NA +MJ020009 Trenbolone C18H22O2 270.161979 NA MeJP NA NA +EUR107 Estrone C18H22O2 270.16198 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR107 Estrone C18H22O2 270.16198 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR107 Estrone C18H22O2 270.16198 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR107 Estrone C18H22O2 270.16198 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR107 Estrone C18H22O2 270.16198 Wishlist HMDB NA NA +EUR107 Estrone C18H22O2 270.16198 Wishlist Inhouse_PFEM NA NA +MetaCyc02419 estrone [hydroxyestrones;folliculin;estrovarin;estrone;3-hydroxyl-1,3,5(10)-estratien-17-one;estrol;follicular hormone;progynon;] C18H22O2 270.16198 53-16-7 metacyc NA NA +EUR107 Estrone C18H22O2 270.16198 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR107 Estrone C18H22O2 270.16198 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00145 Estrone C18H22O2 270.161987 NA HMDB2010 NA NA +HMDB00145 Estrone C18H22O2 270.16199 http://www.hmdb.ca/metabolites/HMDB00145 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00145 Estrone C18H22O2 270.16199 http://www.hmdb.ca/metabolites/HMDB00145 HMDB NA NA +HMDB00145 Estrone C18H22O2 270.16199 http://www.hmdb.ca/metabolites/HMDB00145 PFEM_hmdb_metabocards_blood NA blood +HMDB00145 Estrone C18H22O2 270.16199 HMDB00145 PFEM_hmdb_metabocards_official NA NA +EUR107 Estrone C18H22O2 270.162 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR107 Estrone C18H22O2 270.162 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR107 Estrone C18H22O2 270.162 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR107 Estrone C18H22O2 270.162 Wishlist Inhousejuil11 NA NA +C00468 Estrone C18H22O2 270.162 NA KEGG NA NA +C13101 Hexestrol C18H22O2 270.162 NA KEGG NA NA +C14261 Trenbolone C18H22O2 270.162 NA KEGG NA NA +C14485 17beta-Dihydroequilin C18H22O2 270.162 NA KEGG NA NA +C14590 Estra-1,3,5(10),6-tetraen-3,17beta-diol C18H22O2 270.162 NA KEGG NA NA +C15215 3-Hydroxyestra-1,3,5(10)-trien-16-one C18H22O2 270.162 NA KEGG NA NA +7799 ACE inhibitor AVVRP 270.163 MH2+ Inhouse_peptide NA peptide +EUR521 Estrone sulphate F1 NA 270.165425 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR521 Estrone sulphate F1 NA 270.165425 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR521 Estrone sulphate F1 NA 270.165425 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR521 Estrone sulphate F1 NA 270.165425 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR521 Estrone sulphate F1 NA 270.165425 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR521 Estrone sulphate F1 NA 270.165425 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR521 Estrone sulphate F1 NA 270.165425 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR521 Estrone sulphate F1 NA 270.165425 standards wishlist analysés sur QTOF HMDB NA NA +EUR521 Estrone sulphate F1 NA 270.165425 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR521 Estrone sulphate F1 NA 270.165425 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR521 Estrone sulphate F1 NA 270.165425 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR521 Estrone sulphate F1 NA 270.165425 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ020010 Dasycarpidone, 1?-Alcohol C17H22N2O 270.173213 NA MeJP NA NA +MJ020011 Doxylamine C17H22N2O 270.173213 NA MeJP NA NA +MJ020012 Erythreidine C17H22N2O 270.173213 NA MeJP NA NA +MJ020013 Erythreine C17H22N2O 270.173213 NA MeJP NA NA +MJ020014 Huperzine B; N-Me C17H22N2O 270.173213 NA MeJP NA NA +MJ020015 Huperzinine C17H22N2O 270.173213 NA MeJP NA NA +HMDB01936 Doxylamine C17H22N2O 270.173218 NA HMDB2010 NA NA +HMDB01936 Doxylamine C17H22N2O 270.17322 http://www.hmdb.ca/metabolites/HMDB01936 HMDB NA NA +HMDB01936 Doxylamine C17H22N2O 270.17322 HMDB01936 PFEM_hmdb_metabocards_official NA NA +C16506 (10S)-Juvenile hormone III acid diol C15H26O4 270.1831 NA KEGG NA NA +MJ020016 1(10),4-Germacradiene-2,6-diol, 1?,10?:4?,5?-Diepoxide C15H26O4 270.183109 NA MeJP NA NA +MJ020017 1(10),4-Germacradiene-2,6-diol, 1?,10?:4?,5?-Diepoxide C15H26O4 270.183109 NA MeJP NA NA +MJ020018 1,2,9-Trihydroxydihydro-?-agarofuran C15H26O4 270.183109 NA MeJP NA NA +MJ020019 1,6,11-Farnesatriene-3,5,10-triol; 10-Hydroperoxide C15H26O4 270.183109 NA MeJP NA NA +MJ020020 1,6,9-Farnesatriene-3,5,11-triol, 11-Hydroperoxide C15H26O4 270.183109 NA MeJP NA NA +MJ020021 1,6,9-Trihydroxydihydro-?-agarofuran C15H26O4 270.183109 NA MeJP NA NA +MJ020022 10,11-Dihydroxy-2,6-farnesadien-1-oic acid C15H26O4 270.183109 NA MeJP NA NA +MJ020023 11,12-Dihydroxy-4,5-seco-4,5-eudesmanedione; 11?-form C15H26O4 270.183109 NA MeJP NA NA +MJ020024 11-Eudesmene-3,4,7,8-tetrol C15H26O4 270.183109 NA MeJP NA NA +MJ020025 2,6,10-Farnesatriene-1,5,8,12-tetrol C15H26O4 270.183109 NA MeJP NA NA +MJ020026 2,6-Epoxy-1,2-dihydroxy-2,3-seco-3-allohimachalanone C15H26O4 270.183109 NA MeJP NA NA +MJ020027 2-Decyl-2-pentenedioic acid C15H26O4 270.183109 NA MeJP NA NA +MJ020028 3(4?5)-Abeo-3,7,11-trihydroxy-4-eudesmanone C15H26O4 270.183109 NA MeJP NA NA +MJ020029 4(15),10(14)-Germacradiene-1,2,5,6-tetrol C15H26O4 270.183109 NA MeJP NA NA +MJ020030 4(15),9-Germacradiene-1,2,5,6-tetrol C15H26O4 270.183109 NA MeJP NA NA +MJ020031 4(15)-Eudesmene-3,7,11-triol, 3-Hydroperoxide C15H26O4 270.183109 NA MeJP NA NA +MJ020032 4,6-Diethyl-6-(1-pentenyl)-1,2-dioxane-3-acetic acid C15H26O4 270.183109 NA MeJP NA NA +MJ020033 4-Decyl-2-pentenedioic acid C15H26O4 270.183109 NA MeJP NA NA +MJ020034 5,10(14)-Germacradiene-1,3,4-triol, 1-Hydroperoxide C15H26O4 270.183109 NA MeJP NA NA +MJ020035 5,10-Epoxy-4(15)-germacrene-1,2,6-triol C15H26O4 270.183109 NA MeJP NA NA +MJ020036 5,11,12-Trihydroxy-4-iphionanone C15H26O4 270.183109 NA MeJP NA NA +MJ020037 7,8-Epoxy-4,6,9-daucanetriol C15H26O4 270.183109 NA MeJP NA NA +MJ020038 7-Drimene-6,9,11-triol, 12-Hydroxy C15H26O4 270.183109 NA MeJP NA NA +MJ020039 8-Daucene-3,4,11,14-tetrol C15H26O4 270.183109 NA MeJP NA NA +MJ020040 8-Daucene-4,6,10-triol, 8?,9?-Epoxide C15H26O4 270.183109 NA MeJP NA NA +MJ020041 Benghalensitriol C15H26O4 270.183109 NA MeJP NA NA +MJ020042 Deacetyldihydrobotrydial C15H26O4 270.183109 NA MeJP NA NA +MJ020043 Fercoperol C15H26O4 270.183109 NA MeJP NA NA +MJ020044 Yingzhaosu A C15H26O4 270.183109 NA MeJP NA NA +MetaCyc02420 dihydroartemisinic acid hydroperoxide [] C15H26O4 270.183109 NA metacyc NA NA +MJ020045 Pirogliride C16H22N4 270.184446 NA MeJP NA NA +EUR391 Dehydroepiandrosterone F2 F2 270.196975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR391 Dehydroepiandrosterone F2 NA 270.196975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR391 Dehydroepiandrosterone F2 F2 270.196975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR391 Dehydroepiandrosterone F2 NA 270.196975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR391 Dehydroepiandrosterone F2 F2 270.196975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR391 Dehydroepiandrosterone F2 NA 270.196975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR391 Dehydroepiandrosterone F2 F2 270.196975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR391 Dehydroepiandrosterone F2 F2 270.196975 standards wishlist analysés sur QTOF HMDB NA NA +EUR391 Dehydroepiandrosterone F2 F2 270.196975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR391 Dehydroepiandrosterone F2 NA 270.196975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR391 Dehydroepiandrosterone F2 F2 270.196975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR391 Dehydroepiandrosterone F2 F2 270.196975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR388 Testosterone F2 F2 270.198175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR388 Testosterone F2 NA 270.198175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR388 Testosterone F2 F2 270.198175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR388 Testosterone F2 NA 270.198175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR388 Testosterone F2 F2 270.198175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR388 Testosterone F2 NA 270.198175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR388 Testosterone F2 F2 270.198175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR388 Testosterone F2 F2 270.198175 standards wishlist analysés sur QTOF HMDB NA NA +EUR388 Testosterone F2 F2 270.198175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR388 Testosterone F2 NA 270.198175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR388 Testosterone F2 F2 270.198175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR388 Testosterone F2 F2 270.198175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ020046 19-Nor-4(18),8,11,13-abietatetraen-7-ol; 7?-form C19H26O 270.198365 NA MeJP NA NA +MJ020047 2-Ethenyl-2,8-dimethyl-5-(4-methyl-3-pentenyl)chroman C19H26O 270.198365 NA MeJP NA NA +MJ020048 20-Nor-1(10),8,11,13-abietatetraen-12-ol C19H26O 270.198365 NA MeJP NA NA +MJ020049 Androsta-4,16-dien-3-one C19H26O 270.198365 NA MeJP NA NA +MJ020050 Clathrin B C19H26O 270.198365 NA MeJP NA NA +C15020 17beta-Methylestra-1,3,5(10)-trien-3-ol C19H26O 270.1984 NA KEGG NA NA +C15085 17-Methyl-18-norandrosta-4,13(17)-dien-3-one C19H26O 270.1984 NA KEGG NA NA +MJ020051 8-(Dipropylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole C18H26N2 270.209598 NA MeJP NA NA +HMDB10733 3-Oxohexadecanoic acid C16H30O3 270.219482 NA HMDB2010 NA NA +MJ020052 11-Oxohexadecanoic acid C16H30O3 270.219494 NA MeJP NA NA +MJ020053 12-Hydroxy-9-hexadecenoic acid C16H30O3 270.219494 NA MeJP NA NA +MJ020054 16-Hydroxy-7-hexadecenoic acid C16H30O3 270.219494 NA MeJP NA NA +MJ020055 16-Hydroxy-9-hexadecenoic acid C16H30O3 270.219494 NA MeJP NA NA +MJ020056 2-Methyl-4-oxopentadecanoic acid C16H30O3 270.219494 NA MeJP NA NA +MJ020057 5-Oxohexadecanoic acid C16H30O3 270.219494 NA MeJP NA NA +MJ020058 7-Oxohexadecanoic acid C16H30O3 270.219494 NA MeJP NA NA +MJ020059 8-Oxohexadecanoic acid C16H30O3 270.219494 NA MeJP NA NA +MJ020060 9-Oxohexadecanoic acid C16H30O3 270.219494 NA MeJP NA NA +MJ020061 Malyngolide C16H30O3 270.219494 NA MeJP NA NA +MJ020062 1,3,13-Valparatriene C20H30 270.23475 NA MeJP NA NA +MJ020063 1,3,15-Valparatriene C20H30 270.23475 NA MeJP NA NA +MJ020064 1-(1,9-Dimethyl-5-methylene-8-decenyl)-4-methylbenzene C20H30 270.23475 NA MeJP NA NA +MJ020065 2,4,7,11,15-Cembrapentaene C20H30 270.23475 NA MeJP NA NA +MJ020066 6,8(14),15-Isopimaratriene C20H30 270.23475 NA MeJP NA NA +MJ020067 6,8,11,13-Cleistanthatetraene; 6,7-Dihydro C20H30 270.23475 NA MeJP NA NA +MJ020068 8,10,13,15,17-Lobapentaene C20H30 270.23475 NA MeJP NA NA +MJ020069 8,11,13-Abietatriene C20H30 270.23475 NA MeJP NA NA +MJ020070 8,11,13-Sphaerotriene C20H30 270.23475 NA MeJP NA NA +MJ020071 9-Geranyl-p-cymene C20H30 270.23475 NA MeJP NA NA +MJ020072 10-Methylhexadecanoic acid C17H34O2 270.25588 NA MeJP NA NA +MJ020073 11-Methylhexadecanoic acid C17H34O2 270.25588 NA MeJP NA NA +MJ020074 12-Methylhexadecanoic acid C17H34O2 270.25588 NA MeJP NA NA +MJ020075 14-Methylhexadecanoic acid C17H34O2 270.25588 NA MeJP NA NA +MJ020076 15-Methylhexadecanoic acid C17H34O2 270.25588 NA MeJP NA NA +MJ020077 2,6,10-Trimethyltridecanoic acid, Me ester C17H34O2 270.25588 NA MeJP NA NA +MJ020078 2-Methylhexadecanoic acid C17H34O2 270.25588 NA MeJP NA NA +MJ020079 3-Methylhexadecanoic acid C17H34O2 270.25588 NA MeJP NA NA +MJ020080 4,10-Dimethyl-7-tridecanol, Ac C17H34O2 270.25588 NA MeJP NA NA +MJ020081 4-Hydroxy-7-heptadecanone C17H34O2 270.25588 NA MeJP NA NA +MJ020082 4-Methyl-7-tetradecanol; Ac C17H34O2 270.25588 NA MeJP NA NA +MJ020083 4-Methylhexadecanoic acid C17H34O2 270.25588 NA MeJP NA NA +MJ020084 5,9,13-Trimethyltetradecanoic acid C17H34O2 270.25588 NA MeJP NA NA +MJ020085 8-Pentadecanol; Ac C17H34O2 270.25588 NA MeJP NA NA +MJ020086 9-Methylhexadecanoic acid C17H34O2 270.25588 NA MeJP NA NA +MJ020087 Heptadecanoic acid C17H34O2 270.25588 NA MeJP NA NA +MJ020088 Hexadecanoic acid; Me ester C17H34O2 270.25588 NA MeJP NA NA +MJ020089 Tetradecanoic acid; Isopropyl ester C17H34O2 270.25588 NA MeJP NA NA +HMDB02259 Heptadecanoic acid C17H34O2 270.25589 http://www.hmdb.ca/metabolites/HMDB02259 HMDB NA NA +HMDB02259 Heptadecanoic acid C17H34O2 270.25589 HMDB02259 PFEM_hmdb_metabocards_official NA NA +HMDB02259 Heptadecanoic acid C17H34O2 270.25589 NA HMDB2010 NA NA +C16995 Methyl palmitate C17H34O2 270.2559 NA KEGG NA NA +MJ020090 1-Octadecanol C18H38O 270.292265 NA MeJP NA NA +MJ020091 2-Octadecanol C18H38O 270.292265 NA MeJP NA NA +MJ020092 3,7-Dimethyl-2-hexadecanol C18H38O 270.292265 NA MeJP NA NA +MJ020093 3-Octadecanol C18H38O 270.292265 NA MeJP NA NA +MJ020094 6,10,14-Trimethyl-2-pentadecanol C18H38O 270.292265 NA MeJP NA NA +HMDB02350 Octadecanol C18H38O 270.292267 NA HMDB2010 NA NA +HMDB02350 Octadecanol C18H38O 270.29227 http://www.hmdb.ca/metabolites/HMDB02350 HMDB NA NA +HMDB02350 Octadecanol C18H38O 270.29227 HMDB02350 PFEM_hmdb_metabocards_official NA NA +MJ020095 Pyoluteorin C11H7Cl2NO3 270.980298 NA MeJP NA NA +MJ020096 Matemone C10H10BrNO3 270.984405 NA MeJP NA NA +MJ020097 Muzolimine C11H11Cl2N3O 271.027917 NA MeJP NA NA +MJ020098 2,2-Bis(hydroxymethyl)-1,3-propanediol; Trinitrate C5H9N3O10 271.028793 NA MeJP NA NA +MJ020099 7-Chloro-4-hydroxy-3-phenyl-2(1H)-quinolinone C15H10ClNO2 271.040006 NA MeJP NA NA +MJ020100 4-Nitro-4'-isothiocyanatodiphenylamine C13H9N3O2S 271.041547 NA MeJP NA NA +C03225 3,5-Dinitro-L-tyrosine C9H9N3O7 271.0441 NA KEGG NA NA +MJ020101 4-(Ethylsulfonyl)benzaldehyde; Thiosemicarbazone C10H13N3O2S2 271.044918 NA MeJP NA NA +MJ020102 Bostrycoidin; 7-O-De-Me C14H9NO5 271.048072 NA MeJP NA NA +MJ020103 Narciprimine C14H9NO5 271.048072 NA MeJP NA NA +MJ020104 Tariacuripyrone; 9-Methoxy C14H9NO5 271.048072 NA MeJP NA NA +MJ020105 Clorgiline C13H15Cl2NO 271.053069 NA MeJP NA NA +MetaCyc02421 clorgyline [clorgiline;] C13H15N1O1CL2 271.05307 NA metacyc NA NA +C11685 Clorgyline C13H15Cl2NO 271.0531 NA KEGG NA NA +C05904 Pelargonidin C15H11O5 271.0606 NA KEGG NA NA +C08652 Luteolinidin C15H11O5 271.0606 NA KEGG NA NA +FL7AAANS0001 Pelargonidin C15H11O5 271.06064 134-04-3 knapsack NA NA +FL7DACNS0001 Luteolinidin C15H11O5 271.06064 1154-78-5 knapsack NA NA +MJ020106 Pelargonidin C15H11O5 271.060648 NA MeJP NA NA +MetaCyc02422 pelargonidin [3,5,7-Trihydroxy-2-(4-hydroxyphenil)-1-benzopyrylium chloride;3,4',5,7-tetrahydroxyflavylium chloride;3,5,7-trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride;Flavylium, 3,4',5,7-tetrahydroxy-, chloride;Pelargonidin chloride;Pelargonidol chloride;] C15H11O5 271.060648 134-04-3 metacyc NA NA +MetaCyc02423 naringenin chalcone [2'44'6'-tetrahydroxychalcone;] C15H11O5 271.060648 520-36-5 metacyc NA NA +MJ020107 Diproxadol C12H14ClNO4 271.061135 NA MeJP NA NA +MJ020108 10H-Phenothiazine-2-acetic acid; N-Me C15H13NO2S 271.066699 NA MeJP NA NA +MJ020109 Clavulanic acid, 3-Hydroxypropanoyl C11H13NO7 271.069201 NA MeJP NA NA +MJ020110 Ciadox C12H9N5O3 271.070539 NA MeJP NA NA +MJ020111 Famotine C16H14ClNO 271.076391 NA MeJP NA NA +MJ020112 Cytosine; 1H-form, 1-N-(3-Deoxy-?-D-galacturonopyranosyl) C10H13N3O6 271.080435 NA MeJP NA NA +MJ020113 Metronidazole; 3-Carboxypropanoyl C10H13N3O6 271.080435 NA MeJP NA NA +MJ020114 Benfosformin C9H14N5O3P 271.083425 NA MeJP NA NA +MJ020115 1,2,3-Trihydroxyacridone; 2,3-Di-Me ether C15H13NO4 271.084457 NA MeJP NA NA +MJ020116 1,3,5-Trihydroxyacridone; O3,N-Di-Me C15H13NO4 271.084457 NA MeJP NA NA +MJ020117 1,3,5-Trihydroxyacridone; O5,N-Di-Me C15H13NO4 271.084457 NA MeJP NA NA +MJ020118 1,3,6-Trihydroxyacridone; O3,N-Di-Me C15H13NO4 271.084457 NA MeJP NA NA +MJ020119 1,3,8-Trihydroxyacridone; O3,N-Di-Me C15H13NO4 271.084457 NA MeJP NA NA +MJ020120 1,6-Dihydroxy-9H-carbazole-3-carboxaldehyde; Carboxylic acid, 6-Me ether, Me ester C15H13NO4 271.084457 NA MeJP NA NA +MJ020121 2,7-Dihydroxy-9H-carbazole-3-carboxaldehyde; 3-Carboxylic acid, di-Me ether C15H13NO4 271.084457 NA MeJP NA NA +MJ020122 2-Benzamidobenzoic acid; 4-Hydroxy, Me ester C15H13NO4 271.084457 NA MeJP NA NA +MJ020123 2-Hydroxybenzoic acid; 4-(Acetylamino)phenyl ester C15H13NO4 271.084457 NA MeJP NA NA +MJ020124 3,6,7-Trihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 3,6-Di-Me ether C15H13NO4 271.084457 NA MeJP NA NA +MJ020125 3,7,8-Trihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 3,7-Di-Me ether C15H13NO4 271.084457 NA MeJP NA NA +MJ020126 3,8,9-Trihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 3,8-Di-Me-ether C15H13NO4 271.084457 NA MeJP NA NA +MJ020127 6,8,9-Trihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 6,9-Di-Me ether C15H13NO4 271.084457 NA MeJP NA NA +MJ020128 7,8,9-Trihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 7,8-Di-Me ether C15H13NO4 271.084457 NA MeJP NA NA +MJ020129 7,8,9-Trihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 8,9-Di-Me ether C15H13NO4 271.084457 NA MeJP NA NA +MJ020130 Enkleine C15H13NO4 271.084457 NA MeJP NA NA +MJ020131 Koeniginequinone A; 6-Methoxy C15H13NO4 271.084457 NA MeJP NA NA +MJ020132 Lansine; 8-Methoxy C15H13NO4 271.084457 NA MeJP NA NA +MetaCyc02424 N-benzoyl-4-methoxyanthranilate [N-benzoyl-4-O-methoxyanthranilate;] C15H13N1O4 271.084458 NA metacyc NA NA +C04208 N-Benzoyl-4-methoxyanthranilate C15H13NO4 271.0845 NA KEGG NA NA +C15457 trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane C15H13NO4 271.0845 NA KEGG NA NA +MJ020133 Ftivazide C14H13N3O3 271.095691 NA MeJP NA NA +MJ020134 Carbutamide C11H17N3O3S 271.099062 NA MeJP NA NA +MJ020135 Otanthusic acid, 2,3-Didehydropiperidide C16H17NOS 271.103084 NA MeJP NA NA +MJ020136 1-Hydroxy-2-cyclopentene-1-carboxylic acid, Nitrile, O-?-D-glucopyranoside C12H17NO6 271.105587 NA MeJP NA NA +MJ020137 3-Pyridinemethanol; O-?-D-Glucopyranoside C12H17NO6 271.105587 NA MeJP NA NA +MJ020138 4-Aminophenyl glucopyranoside; ?-D-form C12H17NO6 271.105587 NA MeJP NA NA +MJ020139 4-Aminophenyl glucopyranoside; ?-D-form C12H17NO6 271.105587 NA MeJP NA NA +C08329 Deidaclin C12H17NO6 271.1056 NA KEGG NA NA +MJ020140 Zaprinast C13H13N5O2 271.106924 NA MeJP NA NA +3784 NA YYPT 271.1125 MH2+ Inhouse_peptide NA peptide +MJ020141 Carbubarb C11H17N3O5 271.11682 NA MeJP NA NA +C06160 (S)-Norcoclaurine C16H17NO3 271.1208 NA KEGG NA NA +C06346 (R,S)-Norcoclaurine C16H17NO3 271.1208 NA KEGG NA NA +C06347 (R)-Norcoclaurine C16H17NO3 271.1208 NA KEGG NA NA +C08521 Caranine C16H17NO3 271.1208 NA KEGG NA NA +C10174 Trichostachine C16H17NO3 271.1208 NA KEGG NA NA +C11785 Normorphine C16H17NO3 271.1208 NA KEGG NA NA +C12162 Crinine C16H17NO3 271.1208 NA KEGG NA NA +C12193 Vittatine C16H17NO3 271.1208 NA KEGG NA NA +C16703 N-Demethylnarwedine C16H17NO3 271.1208 NA KEGG NA NA +MJ020142 (S)-Norcoclaurine C16H17NO3 271.120843 NA MeJP NA NA +MJ020143 1,2,8-Trimethoxy-6-methyl-9H-carbazole C16H17NO3 271.120843 NA MeJP NA NA +MJ020144 2-(4-Methoxyphenyl)ethylamine; N-(2-Hydroxybenzoyl) C16H17NO3 271.120843 NA MeJP NA NA +MJ020145 3,4,6-Trihydroxy-1,2-dimethylcarbazole; 3,6-Di-Me ether C16H17NO3 271.120843 NA MeJP NA NA +MJ020146 Annapawine C16H17NO3 271.120843 NA MeJP NA NA +MJ020147 Apohyoscine; N-De-Me C16H17NO3 271.120843 NA MeJP NA NA +MJ020148 Balfourodine, 1'-Deoxy, 1',2'-didehydro C16H17NO3 271.120843 NA MeJP NA NA +MJ020149 Caranine C16H17NO3 271.120843 NA MeJP NA NA +MJ020150 Craugsodine C16H17NO3 271.120843 NA MeJP NA NA +MJ020151 Crinine C16H17NO3 271.120843 NA MeJP NA NA +MJ020152 Epicrinine C16H17NO3 271.120843 NA MeJP NA NA +MJ020153 Flindersine; 6-Methoxy, N-Me C16H17NO3 271.120843 NA MeJP NA NA +MJ020154 Flindersine; 7-Methoxy, N-Me C16H17NO3 271.120843 NA MeJP NA NA +MJ020155 Flindersine; 8-Methoxy, N-Me C16H17NO3 271.120843 NA MeJP NA NA +MJ020156 Haemultine C16H17NO3 271.120843 NA MeJP NA NA +MJ020157 Higenamine C16H17NO3 271.120843 NA MeJP NA NA +MJ020158 Illudinine C16H17NO3 271.120843 NA MeJP NA NA +MJ020159 Insulamine C16H17NO3 271.120843 NA MeJP NA NA +MJ020160 Ismine; Me ether C16H17NO3 271.120843 NA MeJP NA NA +MJ020161 Normorphine C16H17NO3 271.120843 NA MeJP NA NA +MJ020162 Powellamine C16H17NO3 271.120843 NA MeJP NA NA +MJ020163 Powellidine C16H17NO3 271.120843 NA MeJP NA NA +MJ020164 Tembamide C16H17NO3 271.120843 NA MeJP NA NA +MJ020165 Trichostachine C16H17NO3 271.120843 NA MeJP NA NA +MJ020166 ?-Erythroidine; Didehydro (?) C16H17NO3 271.120843 NA MeJP NA NA +MetaCyc02425 (S)-norcoclaurine [1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6,7-isoquinolinediol;] C16H17N1O3 271.120843 NA metacyc NA NA +MetaCyc02426 (R)-norcoclaurine [] C16H17N1O3 271.120843 NA metacyc NA NA +CJpos0671 Phe Ser Ser Phe [(M+H)+(H2O)]+ (13C) C1113CH19N2O5 271.124375 C18rt(min)=5.01 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0671 Phe Ser § Ser Phe [(M+H)+(H2O)]+ (13C) C1113CH19N2O5 271.124375 C18rt(min)=5.01 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +8163 antimicrobial peptide derived from aS1-casein (10-14) GLPQE 271.1285 MH2+ Inhouse_peptide NA peptide +MJ020167 Cynometrine; N1-De-Me C15H17N3O2 271.132076 NA MeJP NA NA +MJ020168 Bupranolol C14H22ClNO2 271.133906 NA MeJP NA NA +HMDB11654 2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine C11H19N4O4 271.140625 NA HMDB2010 NA NA +MetaCyc02427 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine [[3-[[4-(2-amino-2-carboxy-ethyl)-1H-imidazol-2-yl]]-1-carboxy- propyl]-methyl-ammonium;] C11H19N4O4 271.14063 NA metacyc NA NA +7545 ACE inhibitor GPV 271.141 antioxidative Inhouse_peptide NA peptide +MJ020169 Procerine C13H21NO5 271.141972 NA MeJP NA NA +43 Skin gelatin GPV 271.142 celiac toxic Inhouse_peptide NA peptide +3537 ACE inhibitor PR 271.153 ACE inhibitor Inhouse_peptide NA peptide +7582 ACE inhibitor RP 271.153 antioxidative Inhouse_peptide NA peptide +PJ000133 GPV C12H21N3O4 271.1532 NA PeJP NA NA +C10843 Apoatropine C17H21NO2 271.1572 NA KEGG NA NA +MJ020170 1H-Indole-3-propanoic acid; Cyclohexyl ester C17H21NO2 271.157228 NA MeJP NA NA +MJ020171 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-Cinnamoyl C17H21NO2 271.157228 NA MeJP NA NA +MJ020172 Apoatropine C17H21NO2 271.157228 NA MeJP NA NA +MJ020173 Cocculine C17H21NO2 271.157228 NA MeJP NA NA +MJ020174 Dehydrojoubertiamine; Me ether C17H21NO2 271.157228 NA MeJP NA NA +MJ020175 Desomorphine C17H21NO2 271.157228 NA MeJP NA NA +MJ020176 Diphenhydramine; N-Oxide C17H21NO2 271.157228 NA MeJP NA NA +MJ020177 Isococculidine, O15-De-Me C17H21NO2 271.157228 NA MeJP NA NA +MJ020178 Nisoxetine C17H21NO2 271.157228 NA MeJP NA NA +MJ020179 Wallemia A C17H21NO2 271.157228 NA MeJP NA NA +PJ000134 PR C11H21N5O3 271.1645 NA PeJP NA NA +CJpos0672 Heptenoylcarnitine isomer [(M+H)]+ C14H26NO4 271.177775 C18rt(min)=6.5 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0673 Heptenoylcarnitine isomer [(M+H)]+ C14H26NO4 271.177775 C18rt(min)=6.85 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0672 Heptenoylcarnitine isomer [(M+H)]+ C14H26NO4 271.177775 C18rt(min)=6.5 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0673 Heptenoylcarnitine isomer [(M+H)]+ C14H26NO4 271.177775 C18rt(min)=6.85 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ020180 Strigosine C14H25NO4 271.178358 NA MeJP NA NA +MJ020181 Trypargine C15H21N5 271.179695 NA MeJP NA NA +HMDB01920 Dextromethorphan C18H25NO 271.1936 http://www.hmdb.ca/metabolites/HMDB01920 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01920 Dextromethorphan C18H25NO 271.1936 http://www.hmdb.ca/metabolites/HMDB01920 HMDB NA NA +C06947 Dextromethorphan C18H25NO 271.1936 NA KEGG NA NA +C08396 Anacyclin C18H25NO 271.1936 NA KEGG NA NA +HMDB01920 Dextromethorphan C18H25NO 271.1936 http://www.hmdb.ca/metabolites/HMDB01920 PFEM_hmdb_metabocards_blood NA blood +HMDB01920 Dextromethorphan C18H25NO 271.1936 HMDB01920 PFEM_hmdb_metabocards_official NA NA +HMDB01920 Dextromethorphan C18H25NO 271.193604 NA HMDB2010 NA NA +MJ020182 10,12-Tetradecadiene-4,6-diynoic acid, 2-Methylpropylamide C18H25NO 271.193614 NA MeJP NA NA +MJ020183 17-Methylmorphinan-3-ol, Me ether C18H25NO 271.193614 NA MeJP NA NA +MJ020184 2,4,10-Tetradecatrien-8-ynoic acid, Pyrrolidide C18H25NO 271.193614 NA MeJP NA NA +MJ020185 2,4,8,10,12-Tetradecapentaenoic acid, 2-Methylenepropylamide C18H25NO 271.193614 NA MeJP NA NA +MJ020186 2,4-Decadienoic acid, 2-Phenylethylamide C18H25NO 271.193614 NA MeJP NA NA +MJ020187 2,7-Tridecadiene-10,12-diynoic acid, 2-Methylbutylamide C18H25NO 271.193614 NA MeJP NA NA +MJ020188 2-Nonyl-4(1H)-quinolinone C18H25NO 271.193614 NA MeJP NA NA +MJ020189 3-Aminoestra-1,3,5(10)-trien-17-ol; 17?-form C18H25NO 271.193614 NA MeJP NA NA +MJ020190 Anacycline C18H25NO 271.193614 NA MeJP NA NA +MJ020191 Cyclazocine C18H25NO 271.193614 NA MeJP NA NA +MJ020192 Nepinalone C18H25NO 271.193614 NA MeJP NA NA +HMDB06294 16-hydroxy hexadecanoic acid C16H31O3 271.227325 NA HMDB2010 NA NA +HMDB06294 omega hydroxy hexadecanoate (n-C16:0) C16H31O3 271.22733 http://www.hmdb.ca/metabolites/HMDB06294 HMDB NA NA +HMDB06294 omega hydroxy hexadecanoate (n-C16:0) C16H31O3 271.22733 HMDB06294 PFEM_hmdb_metabocards_official NA NA +MJ020193 Louludinium(1+) C19H30N(+) 271.229999 NA MeJP NA NA +MJ020194 2-Amino-4-hexadecene-1,3-diol C16H33NO2 271.251129 NA MeJP NA NA +MJ020195 Andrachamine; 2',2''-Diepimer, N-Me C16H33NO2 271.251129 NA MeJP NA NA +MJ020196 Andrachamine; 2'-Epimer, N-Me C16H33NO2 271.251129 NA MeJP NA NA +MJ020197 Delmopinol C16H33NO2 271.251129 NA MeJP NA NA +C13377 Mercuric chloride HgCl2 271.9083 NA KEGG NA NA +MJ020198 Mercury(II) chloride (HgCl2) Cl2Hg 271.908331 NA MeJP NA NA +MetaCyc02428 mercuric chloride [mercury bichloride;mercury perchloride;HgCl2;HgCl2;Cl2Hg;] CL2HG1 271.908331 NA metacyc NA NA +MJ020199 1-Bromo-1,2-dichloro-1-octen-3-one C8H11BrCl2O 271.937033 NA MeJP NA NA +MJ020200 1,1-Dibromo-2-heptanol C7H14Br2O 271.94114 NA MeJP NA NA +C14189 2,4,6-Trichloro-4'-biphenylol C12H7Cl3O 271.9562 NA KEGG NA NA +C14737 4,3',5'-Trichloro-4'-biphenol C12H7Cl3O 271.9562 NA KEGG NA NA +C15212 2,2',5-Trichloro-4-hydroxybiphenyl C12H7Cl3O 271.9562 NA KEGG NA NA +MJ020201 3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, 4?-Bromo C10H9BrO4 271.968421 NA MeJP NA NA +MJ020202 5,6-Dichloro-2-(dichloromethyl)-6-methyl-1,3,7-octatriene C10H12Cl4 271.969311 NA MeJP NA NA +MJ020203 Oxypyrrolnitrin C10H6Cl2N2O3 271.975547 NA MeJP NA NA +MJ020204 Thiocystine C6H12N2O4S3 271.995918 NA MeJP NA NA +MJ020205 Zoledronic acid C5H10N2O7P2 271.996323 NA MeJP NA NA +MetaCyc02429 zoledronate [(1-Hydroxy-2-imidazol-1-ylethylidene)diphosphonic acid;Zoledronic acid;Zometa;CGP 42446;] C5H10N2O7P2 271.996324 NA metacyc NA NA +C16198 (Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate C10H8O7S 271.9991 NA KEGG NA NA +MJ020206 Nitroscanate C13H8N2O3S 272.025562 NA MeJP NA NA +MetaCyc02430 dinitro-4-hydroxyphenylpyruvate [3,5-dinitro-4-hydroxyphenylpyruvate;] C9H8N2O8 272.028065 NA metacyc NA NA +MJ020207 1,2,3,7-Tetrahydroxyxanthone; 2,3-Methylene ether C14H8O6 272.032087 NA MeJP NA NA +MJ020208 1,2,3,8-Tetrahydroxyxanthone; 1,2-Methylene ether C14H8O6 272.032087 NA MeJP NA NA +MJ020209 1,3,6,8-Tetrahydroxyanthraquinone C14H8O6 272.032087 NA MeJP NA NA +MJ020210 2,7-Dihydroxydibenzo[b,e]dioxin-1,6-dicarboxaldehyde C14H8O6 272.032087 NA MeJP NA NA +MJ020211 Canarione C14H8O6 272.032087 NA MeJP NA NA +MJ020212 2,3,9-Trihydroxy-1-phenazinecarboxylic acid C13H8N2O5 272.043321 NA MeJP NA NA +MJ020213 Sulfasuccinamide C10H12N2O5S 272.046692 NA MeJP NA NA +C07756 7-Aminocephalosporanic acid C10H12N2O5S 272.0467 NA KEGG NA NA +C07757 Transferred to D00649 C10H12N2O5S 272.0467 NA KEGG NA NA +C15077 1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one C15H12O3S 272.0507 NA KEGG NA NA +MJ020214 3-Hydroxymethyldibenzo[b,f]thiepin; S,S-Dioxide C15H12O3S 272.050714 NA MeJP NA NA +MJ020215 4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol; 2-Hydroxy, 1-Ac C15H12O3S 272.050714 NA MeJP NA NA +MJ020216 4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol; 2-Hydroxy, 2-Ac C15H12O3S 272.050714 NA MeJP NA NA +MJ020217 5-[4-(2-Furanyl)-3-buten-1-ynyl]-2-thiophenemethanol, Ac C15H12O3S 272.050714 NA MeJP NA NA +MJ020218 6-[5-(1-Propynyl)-2-thienyl]-3,5-hexadiyne-1,2-diol; 1-Ac C15H12O3S 272.050714 NA MeJP NA NA +MJ020219 Fukiic acid C11H12O8 272.053217 NA MeJP NA NA +MJ020220 Zolimidine C14H12N2O2S 272.061948 NA MeJP NA NA +MJ020221 Lactivicin C10H12N2O7 272.06445 NA MeJP NA NA +JH187 Naringenin [M+H]+ C15H12O5 272.0679 17.87 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH187 Naringenin [M+H]+ C15H12O5 272.0679 17.87 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH187 Naringenin [M+H]+ C15H12O5 272.0679 17.87 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH187 Naringenin [M+H]+ C15H12O5 272.0679 17.87 Inhousejuil11 NA NA +JH205 Catechin [M+H-H20]+ NA 272.06794 11.34 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH205 Catechin [M+H-H20]+ NA 272.06794 11.34 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH205 Catechin [M+H-H20]+ NA 272.06794 11.34 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH205 Catechin [M+H-H20]+ NA 272.06794 11.34 Inhousejuil11 NA NA +FL1C19NS0003 Pseudosindorin C15H12O5 272.06847 - knapsack NA NA +FL1C1CNS0001 Butein C15H12O5 272.06847 21849-70-7 knapsack NA NA +FL1C1LNS0001 2,4,2',4'-Tetrahydroxychalcone C15H12O5 272.06847 123702-96-5 knapsack NA NA +FL1C3ANS0001 4,2',3',4'-Tetrahydroxychalcone C15H12O5 272.06847 - knapsack NA NA +FL1CAANS0001 Naringenin chalcone;Chalconaringenin;Isosalipurpol;trans-2',4,4',6'-Tetrahydroxychalcone;(2E)- 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-2-Propen-1-one C15H12O5 272.06847 25515-46-2 knapsack NA NA +FL1CHYNS0002 Licodione C15H12O5 272.06847 61153-76-2 knapsack NA NA +FL2F1CNS0001 Butin C15H12O5 272.06847 492-14-8 knapsack NA NA +FL2F3ANS0001 7,8,4'-Trihydroxyflavanone C15H12O5 272.06847 02/05/5023 knapsack NA NA +FL2F9ANS0002 5,8,4'-Trihydroxyflavanone C15H12O5 272.06847 123067-25-4 knapsack NA NA +FL2FA8NS0005 5,7,2'-Trihydroxyflavanone C15H12O5 272.06847 111199-94-1 knapsack NA NA +FL2FA9NS0006 2beta-5,7-Trihydroxyflavanone C15H12O5 272.06847 106009-52-3 knapsack NA NA +FL2FA9NS0007 5,7,3'-Trihydroxyflavanone C15H12O5 272.06847 104732-07-2 knapsack NA NA +FL2FAANS0001 Naringenin C15H12O5 272.06847 480-41-1 knapsack NA NA +FL2FE9NS0001 Dihydrobaicalein C15H12O5 272.06847 35683-17-1 knapsack NA NA +FL2FF9NS0001 Dihydronorwogonin C15H12O5 272.06847 123914-36-3 knapsack NA NA +FL4D1ANS0001 Garbanzol C15H12O5 272.06847 1226-22-8 knapsack NA NA +FL4DA9NS0001 Pinobanksin C15H12O5 272.06847 548-82-3 knapsack NA NA +FLIB1LNS0003 2'-Hydroxydihydrodaidzein;7,2',4'-Trihydroxyisoflavanone C15H12O5 272.06847 75519-15-2 knapsack NA NA +FLID3ANS0002 4-Hydroxydemethylmedicarpin;3,4,9-Trihydroxypterocarpan C15H12O5 272.06847 61255-58-1 knapsack NA NA +FLIDHXNS0003 (-)-Glycinol;3,6a,9-Trihydroxypterocarpan C15H12O5 272.06847 69393-95-9 knapsack NA NA +MJ020222 1,2,3-Trihydroxyxanthone; 1,2-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020223 1,2,3-Trihydroxyxanthone; 2,3-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020224 1,2,4-Trihydroxyxanthone; 1,2-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020225 1,2,5-Trihydroxyxanthone; 1,2-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020226 1,2,7-Trihydroxyxanthone; 1,7-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020227 1,2,8-Trihydroxyxanthone; 1,2-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020228 1,2,8-Trihydroxyxanthone; 1,8-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020229 1,3,5-Trihydroxyxanthone; 1,3-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020230 1,3,5-Trihydroxyxanthone; 3,5-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020231 1,3,6-Trihydroxy-8-methylxanthone; 1-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020232 1,3,6-Trihydroxy-8-methylxanthone; 3-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020233 1,3,6-Trihydroxy-8-methylxanthone; 6-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020234 1,3,7-Trihydroxyxanthone; 3,7-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020235 1,5,6-Trihydroxyxanthone; 1,5-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020236 1,5,8-Trihydroxy-3-methylxanthone; 5-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020237 1,6,7-Trihydroxyxanthone; 1,7-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020238 1,6,7-Trihydroxyxanthone; 6,7-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020239 1,6-Dihydroxy-7-hydroxymethylxanthone; 6-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020240 1-(2,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanedione; 4'-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020241 1-Phenyl-3-(2,4,6-trihydroxyphenyl)-1,3-propanedione C15H12O5 272.068473 NA MeJP NA NA +MJ020242 2',3',4,4'-Tetrahydroxychalcone C15H12O5 272.068473 NA MeJP NA NA +MJ020243 2',3,4',5-Tetrahydroxychalcone C15H12O5 272.068473 NA MeJP NA NA +MJ020244 2',3,4,4'-Tetrahydroxychalcone C15H12O5 272.068473 NA MeJP NA NA +MJ020245 2',4',7-Trihydroxyflavanone C15H12O5 272.068473 NA MeJP NA NA +MJ020246 2',4',7-Trihydroxyisoflavanone C15H12O5 272.068473 NA MeJP NA NA +MJ020247 2',4,4',6'-Tetrahydroxychalcone C15H12O5 272.068473 NA MeJP NA NA +MJ020248 2',5,7-Trihydroxyflavanone C15H12O5 272.068473 NA MeJP NA NA +MJ020249 2,3,4,5-Tetrahydroxy-9H-fluoren-9-one; 2,4-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020250 2,3,4,6,7-Phenanthrenepentol; 4-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020251 2,3,4-Trihydroxyxanthone; 2,3-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020252 2,3,4-Trihydroxyxanthone; 2,4-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020253 2,3,4-Trihydroxyxanthone; 3,4-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020254 2,3,5-Trihydroxyxanthone; 2,5-Di-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020255 2,3-Dihydro-5-hydroxy-8-methoxy-2,4-dimethylnaphtho[1,2-b]furan-6,9-dione; 2,3-Didehydro C15H12O5 272.068473 NA MeJP NA NA +MJ020256 2-(1-Hydroxyethyl)-6-methoxynaphtho[2,3-b]furan-4,9-quinone C15H12O5 272.068473 NA MeJP NA NA +MJ020257 2-(2,4-Dihydroxyphenyl)-5,6-dihydroxybenzofuran; 6-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020258 2-(3,5-Dihydroxyphenyl)-5,6-dihydroxybenzofuran; 6-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020259 2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione; 1'?-Alcohol, Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020260 3',4',7-Trihydroxyflavanone C15H12O5 272.068473 NA MeJP NA NA +MJ020261 3',5,7-Trihydroxyflavanone C15H12O5 272.068473 NA MeJP NA NA +MJ020262 3,4',7-Trihydroxyflavanone C15H12O5 272.068473 NA MeJP NA NA +MJ020263 3,4,9-Trihydroxypterocarpan C15H12O5 272.068473 NA MeJP NA NA +MJ020264 3,4-Dihydro-5,7-dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one C15H12O5 272.068473 NA MeJP NA NA +MJ020265 3,5,7-Trihydroxyflavanone C15H12O5 272.068473 NA MeJP NA NA +MJ020266 3,6a,9-Trihydroxypterocarpan C15H12O5 272.068473 NA MeJP NA NA +MJ020267 3,7-Dihydroxy-1,9-dimethyl-2-dibenzofurancarboxylic acid C15H12O5 272.068473 NA MeJP NA NA +MJ020268 3-Hydroxydehydroiso-?-lapachone, 8-Hydroxy C15H12O5 272.068473 NA MeJP NA NA +MJ020269 4',5,7-Trihydroxyflavanone C15H12O5 272.068473 NA MeJP NA NA +MJ020270 4',5,8-Trihydroxyflavanone C15H12O5 272.068473 NA MeJP NA NA +MJ020271 4',7,8-Trihydroxyflavanone C15H12O5 272.068473 NA MeJP NA NA +MJ020272 5,6,7-Trihydroxyflavanone C15H12O5 272.068473 NA MeJP NA NA +MJ020273 5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 8-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020274 5,7,8-Trihydroxyflavanone C15H12O5 272.068473 NA MeJP NA NA +MJ020275 6-(3,4-Methylenedioxystyryl)-?-pyrone; 4-Methoxy C15H12O5 272.068473 NA MeJP NA NA +MJ020276 8-Hydroxy-6-methoxy-3,5-dimethylnaphtho[2,3-b]furan-4,9-dione C15H12O5 272.068473 NA MeJP NA NA +MJ020277 Alternariol; 9-Me ether C15H12O5 272.068473 NA MeJP NA NA +MJ020278 Anhydrofusarubin; 5-Deoxy C15H12O5 272.068473 NA MeJP NA NA +MJ020279 Anhydrofusarubin; 6-Deoxy C15H12O5 272.068473 NA MeJP NA NA +MJ020280 Arugosin F C15H12O5 272.068473 NA MeJP NA NA +MJ020281 Asperxanthone; 10-O-De-Me C15H12O5 272.068473 NA MeJP NA NA +MJ020282 Autumnariol; 8-Methoxy C15H12O5 272.068473 NA MeJP NA NA +MJ020283 Dehydroiso-?-lapachone, 5,7-Dihydroxy C15H12O5 272.068473 NA MeJP NA NA +MJ020284 Hibiscoquinone D C15H12O5 272.068473 NA MeJP NA NA +MJ020285 Hydramacrophyllol A C15H12O5 272.068473 NA MeJP NA NA +MJ020286 Hydrangenol, 6-Hydroxy C15H12O5 272.068473 NA MeJP NA NA +MJ020287 Licodione C15H12O5 272.068473 NA MeJP NA NA +MJ020288 Microminutin C15H12O5 272.068473 NA MeJP NA NA +MJ020289 Mycosinol; 8,9-Epoxide, Ac C15H12O5 272.068473 NA MeJP NA NA +MJ020290 Pogopyrone A C15H12O5 272.068473 NA MeJP NA NA +MJ020291 Protosappanin A C15H12O5 272.068473 NA MeJP NA NA +MJ020292 Roxburghinol C15H12O5 272.068473 NA MeJP NA NA +MJ020293 Toralactone C15H12O5 272.068473 NA MeJP NA NA +MJ020294 Tucaresol C15H12O5 272.068473 NA MeJP NA NA +MJ020295 Ventiloquinone G; 3,4-Didehydro, 5-deoxy C15H12O5 272.068473 NA MeJP NA NA +MJ020296 Naringenin C15H12O5 272.068473 NA MeJP NA NA +MetaCyc02431 licodione [] C15H12O5 272.068473 NA metacyc NA NA +MetaCyc02432 licodione [1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-3-propanedione;] C15H12O5 272.068473 61153-76-2 metacyc NA NA +MetaCyc02433 6,7,4'-trihydroxyflavanone [] C15H12O5 272.068473 NA metacyc NA NA +MetaCyc02434 (2R,3R)-pinobanksin [] C15H12O5 272.068473 NA metacyc NA NA +MetaCyc02435 p-coumaroyltriacetic acid lactone [p-coumaroyltriacetate lactone;] C15H12O5 272.068473 NA metacyc NA NA +MetaCyc02436 (-)-glycinol [3,6,9-trihydroxypterocarpan;(6αS,11αS)-3,6α,9-trihydroxypterocarpan;] C15H12O5 272.068473 NA metacyc NA NA +MetaCyc02437 2-hydroxyisoflavanone [2,7,4'-trihydroxyisoflavanone;] C15H12O5 272.068473 NA metacyc NA NA +MetaCyc02438 2'-hydroxydihydrodaidzein [2'-hydroxy-2,3-dihydrodaidzein;] C15H12O5 272.068473 NA metacyc NA NA +MetaCyc02439 naringenin [pelargidanon;salipurpol;naringetol;4;,5',7-trihydroxyflavanone;4',5,7-Trihydroxyflavanone;flavanone naringenin;] C15H12O5 272.068473 480-41-1 metacyc NA NA +MetaCyc02440 butein [2',4',3,4-tetrahydroxychalcone;] C15H12O5 272.068473 NA metacyc NA NA +HMDB05897 Dihydrogenistein C15H12O5 272.06848 http://www.hmdb.ca/metabolites/HMDB05897 PFEM_hmdb_metabocards_urine NA urine +HMDB02670 Naringenin C15H12O5 272.06848 http://www.hmdb.ca/metabolites/HMDB02670 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05897 Dihydrogenistein C15H12O5 272.06848 http://www.hmdb.ca/metabolites/HMDB05897 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB05897 Dihydrogenistein C15H12O5 272.06848 http://www.hmdb.ca/metabolites/HMDB05897 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02670 Naringenin C15H12O5 272.06848 http://www.hmdb.ca/metabolites/HMDB02670 HMDB NA NA +HMDB05897 Dihydrogenistein C15H12O5 272.06848 http://www.hmdb.ca/metabolites/HMDB05897 HMDB NA NA +HMDB02670 Naringenin C15H12O5 272.06848 http://www.hmdb.ca/metabolites/HMDB02670 PFEM_hmdb_metabocards_blood NA blood +HMDB02670 Naringenin C15H12O5 272.06848 HMDB02670 PFEM_hmdb_metabocards_official NA NA +HMDB05897 Dihydrogenistein C15H12O5 272.06848 HMDB05897 PFEM_hmdb_metabocards_official NA NA +HMDB02670 Naringenin C15H12O5 272.068481 NA HMDB2010 NA NA +HMDB05897 Dihydrogenistein C15H12O5 272.068481 NA HMDB2010 NA NA +C00509 Naringenin C15H12O5 272.0685 NA KEGG NA NA +C01263 (6aS,11aS)-3,6a,9-Trihydroxypterocarpan C15H12O5 272.0685 NA KEGG NA NA +C01264 2-Acetyl-1-alkyl-sn-glycero-3-phosphate C5H10O7PR 272.0685 NA KEGG NA NA +C01592 Licodione C15H12O5 272.0685 NA KEGG NA NA +C03567 2'-Hydroxydihydrodaidzein C15H12O5 272.0685 NA KEGG NA NA +C06561 Naringenin chalcone C15H12O5 272.0685 NA KEGG NA NA +C08578 Butein C15H12O5 272.0685 NA KEGG NA NA +C09047 Rubrofusarin C15H12O5 272.0685 NA KEGG NA NA +C09614 Butin C15H12O5 272.0685 NA KEGG NA NA +C09751 Garbanzol C15H12O5 272.0685 NA KEGG NA NA +C09826 Pinobanksin C15H12O5 272.0685 NA KEGG NA NA +C12087 p-Coumaroyltriacetic acid lactone C15H12O5 272.0685 NA KEGG NA NA +C14458 Dihydrogenistein C15H12O5 272.0685 NA KEGG NA NA +C15567 2,7,4'-Trihydroxyisoflavanone C15H12O5 272.0685 NA KEGG NA NA +C16232 6,7,4'-Trihydroxyflavanone C15H12O5 272.0685 NA KEGG NA NA +C17673 Toralactone C15H12O5 272.0685 NA KEGG NA NA +MJ020297 Lofendazam C15H13ClN2O 272.07164 NA MeJP NA NA +MJ020298 Dendrodoine C13H12N4OS 272.073181 NA MeJP NA NA +MJ020299 Nimustine C9H13ClN6O2 272.078851 NA MeJP NA NA +C14589 1,2-Bis(4-nitrophenyl)ethane C14H12N2O4 272.0797 NA KEGG NA NA +MJ020300 Mitindomide C14H12N2O4 272.079706 NA MeJP NA NA +MJ020301 Picrasidine X; 1'-Hydroxy C14H12N2O4 272.079706 NA MeJP NA NA +MJ020302 1-(3,5-Dichloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone; Dechloro C13H17ClO4 272.081536 NA MeJP NA NA +MJ020303 Thienamycin C11H16N2O4S 272.083077 NA MeJP NA NA +C06664 Thienamycin C11H16N2O4S 272.0831 NA KEGG NA NA +MJ020304 2-(1-Naphthalenyl)-1H-indene-1,3(2H)-dione C19H12O2 272.083729 NA MeJP NA NA +MJ020305 2-Hydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one; 4'-Deoxy C19H12O2 272.083729 NA MeJP NA NA +MJ020306 2-Hydroxy-9-phenyl-1H-phenalen-1-one C19H12O2 272.083729 NA MeJP NA NA +MJ020307 L-Arginine phosphate C6H17N4O6P 272.08857 NA MeJP NA NA +C06186 Arbutin C12H16O7 272.0896 NA KEGG NA NA +C12079 alpha-Arbutin C12H16O7 272.0896 NA KEGG NA NA +MJ020308 1,2-Benzenediol; O-?-D-Glucopyranoside C12H16O7 272.089602 NA MeJP NA NA +MJ020309 Arbutin C12H16O7 272.089602 NA MeJP NA NA +MJ020310 Cyathiformine B; 6-Deoxy C12H16O7 272.089602 NA MeJP NA NA +MJ020311 Montagnetol C12H16O7 272.089602 NA MeJP NA NA +MJ020312 Stryspinolactone C12H16O7 272.089602 NA MeJP NA NA +MJ020313 Arbutin C12H16O7 272.089602 NA MeJP NA NA +MetaCyc02441 hydroquinone-O-β-D-glucopyranoside [] C12H16O7 272.089603 NA metacyc NA NA +MetaCyc02442 arbutin [] C12H16O7 272.089603 497-76-7 metacyc NA NA +MJ020314 Cinoquidox C13H12N4O3 272.09094 NA MeJP NA NA +MJ020315 Arnoamine A; Me ether C18H12N2O 272.094963 NA MeJP NA NA +FL1D1ANS0002 4'-O-Methyldavidigenin C16H16O4 272.10485 65428-04-8 knapsack NA NA +FL1DA9NM0008 3'-Methyl-2',4',6'-trihydroxydihydrochalcone C16H16O4 272.10485 70155-33-8 knapsack NA NA +FL1DA9NS0002 2',6'-Dihydroxy-4'-methoxydihydrochalcone C16H16O4 272.10485 35241-55-5 knapsack NA NA +FL1DA9NS0003 Uvangoletin C16H16O4 272.10485 76444-56-9 knapsack NA NA +FL1DRTNS0001 Loureirin C C16H16O4 272.10485 116384-24-8 knapsack NA NA +FL1DRTNS0002 2,4'-Dihydroxy-4-methoxydihydrochalcone C16H16O4 272.10485 98094-90-7 knapsack NA NA +FL631ANS0002 Guibourtinidol-7-methyl ether C16H16O4 272.10485 - knapsack NA NA +FL6F1CNS0001 3',4'-Dihydroxy-7-methoxyflavan C16H16O4 272.10485 - knapsack NA NA +FL6F1CNS0002 7,4'-Dihydroxy-3'-methoxyflavan C16H16O4 272.10485 95587-88-5 knapsack NA NA +FL6F1CNS0003 7,3'-Dihydroxy-4'-methoxyflavan C16H16O4 272.10485 162290-05-3 knapsack NA NA +FL6FABNS0001 5,7-Dihydroxy-4'-methoxyflavan C16H16O4 272.10485 131866-08-5 knapsack NA NA +FLIC1LNS0003 (+)-Vestitol;(3S)-Vestitol;(3S)-3,4-Dihydro-3-(2-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-7-ol C16H16O4 272.10485 20879-05-4 knapsack NA NA +FLIC1LNS0005 Isovestitol;7,4'-Dihydroxy-2'-methoxyisoflavan C16H16O4 272.10485 63631-42-5 knapsack NA NA +FLIC1LNS0006 Neovestitol;2',4'-Dihydroxy-7-methoxyisoflavan C16H16O4 272.10485 71772-21-9 knapsack NA NA +FLIJ1ANS0001 Angolensin C16H16O4 272.10485 4842-48-2 knapsack NA NA +HMDB04810 5C-aglycone C16H16O4 272.104858 NA HMDB2010 NA NA +MJ020316 1,2,5,7-Phenanthrenetetrol; 9,10-Dihydro, 2,5-di-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020317 1,2,5,7-Phenanthrenetetrol; 9,10-Dihydro, 2,7-Di-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020318 1,2-Bis(3,4-dihydroxyphenyl)ethylene, 3,3'-Di-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020319 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propane; 3'',4''-Methylene ether C16H16O4 272.104859 NA MeJP NA NA +MJ020320 1-(2,4-Dihydroxyphenyl)-3-(3-hydroxyphenyl)-2-propanol, 2-Ketone, 2'-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020321 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone; 4'-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020322 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethane; 3,4-Methylene, 3'-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020323 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3',3''-Di-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020324 1-(3-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Methylene, 3'-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020325 1-(4-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Methylene, 5-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020326 10-Hydroxy-2,8-decadiene-4,6-diynoic acid, 10-Angeloyl, Me ester C16H16O4 272.104859 NA MeJP NA NA +MJ020327 2',4',7-Trihydroxyisoflavan; 2'-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020328 2',4',7-Trihydroxyisoflavan; 7-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020329 2',7-Dihydroxy-4'-methoxyisoflavan C16H16O4 272.104859 NA MeJP NA NA +MJ020330 2,3,4,5-Phenanthrenetetrol; 9,10-Dihydro, 3,4-di-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020331 2,3,4,7-Phenanthrenetetrol; 9,10-Dihydro, 2,3-di-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020332 2,3,4,7-Phenanthrenetetrol; 9,10-Dihydro, 2,4-di-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020333 2,3,4,7-Phenanthrenetetrol; 9,10-Dihydro, 3,4-di-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020334 2,3,5,7-Phenanthrenetetrol; 9,10-Dihydro, 2,5-di-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020335 2,3,5,7-Phenanthrenetetrol; 9,10-Dihydro, 3,5-di-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020336 2,3,5,7-Phenanthrenetetrol; 9,10-Dihydro, 3,7-di-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020337 2,4,5,6-Phenanthrenetetrol; 9,10-Dihydro, 2,4-di-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020338 2,4,5,6-Phenanthrenetetrol; 9,10-Dihydro, 2,6-di-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020339 2,4,6-Trihydroxy-3-methylbenzophenone; 2,4-Di-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020340 2,4,6-Trihydroxy-3-methylbenzophenone; 4,6-Di-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020341 2,4,6-Trihydroxybenzophenone; Tri-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020342 2,5-Dimethoxybenzoic acid; Benzyl ester C16H16O4 272.104859 NA MeJP NA NA +MJ020343 2,6-Dimethoxybenzoic acid; Benzyl ester C16H16O4 272.104859 NA MeJP NA NA +MJ020344 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene, 8-O-Ac C16H16O4 272.104859 NA MeJP NA NA +MJ020345 2-Methylconospermone; O-De-Me C16H16O4 272.104859 NA MeJP NA NA +MJ020346 3',4',7-Trihydroxyflavan, 3'-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020347 3',4',7-Trihydroxyflavan, 4'-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020348 3',4',7-Trihydroxyflavan, 7-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020349 3',4',7-Trihydroxyisoflavan; 3'-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020350 3,9-Dihydroxy-1,3,5,7,9-cadinapentaen-14,2-olide; 3-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020351 3-(2,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-propanone; 2-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020352 3-(2,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-propanone; 4-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020353 3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4'-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020354 4',5,7-Trihydroxyflavan, 7-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020355 4',5,7-Trihydroxyflavan, 4'-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020356 4,4',7-Trihydroxyflavan, 4-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020357 5,8-Dihydroxy-2-(4-methyl-3-pentenyl)-1,4-naphthoquinone C16H16O4 272.104859 NA MeJP NA NA +MJ020358 7-Hydroxy-2H-1-benzopyran-2-one; O-(5-Formyl-3-methyl-2-pentenyl)(E-) C16H16O4 272.104859 NA MeJP NA NA +MJ020359 8,9-Dihydroxy-1,3,5,7,9-cadinapentaen-14,2-olide; 9-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020360 8-Hydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one C16H16O4 272.104859 NA MeJP NA NA +MJ020361 Allopteroxylin; Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020362 Aloesaponol III, 8-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020363 Angolensin C16H16O4 272.104859 NA MeJP NA NA +MJ020364 Aspergione D; 1,2-Didehydro, 4-Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020365 Bothrioclinin; 7-Methoxy C16H16O4 272.104859 NA MeJP NA NA +MJ020366 Cacalonol; 3-Methoxy C16H16O4 272.104859 NA MeJP NA NA +MJ020367 Conospermone C16H16O4 272.104859 NA MeJP NA NA +MJ020368 Dendranthemenol; Ac C16H16O4 272.104859 NA MeJP NA NA +MJ020369 Echinofuran; 6''-Hydroxy, deacetoxy C16H16O4 272.104859 NA MeJP NA NA +MJ020370 Elecanacin C16H16O4 272.104859 NA MeJP NA NA +MJ020371 Eleutherin C16H16O4 272.104859 NA MeJP NA NA +MJ020372 Gleinene, 3',4'-Didehydro C16H16O4 272.104859 NA MeJP NA NA +MJ020373 Hyperbrasilone C16H16O4 272.104859 NA MeJP NA NA +MJ020374 Hyperolactone D C16H16O4 272.104859 NA MeJP NA NA +MJ020375 Isospatheliachromen; Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020376 Leucocordiachrome H C16H16O4 272.104859 NA MeJP NA NA +MJ020377 Mansonone H; Me ether C16H16O4 272.104859 NA MeJP NA NA +MJ020378 Perilloxin; 2,3-Didehydro C16H16O4 272.104859 NA MeJP NA NA +MJ020379 Pinnaterin; 1''-Aldehyde C16H16O4 272.104859 NA MeJP NA NA +MJ020380 Prechrysophanol, O8-Me C16H16O4 272.104859 NA MeJP NA NA +MJ020381 Trypethelone C16H16O4 272.104859 NA MeJP NA NA +MJ020382 Warburgin C16H16O4 272.104859 NA MeJP NA NA +MJ020383 ?-Lapachone; 9-Methoxy C16H16O4 272.104859 NA MeJP NA NA +MetaCyc02443 1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene [] C16H16O4 272.104859 NA metacyc NA NA +HMDB04810 5C-aglycone C16H16O4 272.10486 http://www.hmdb.ca/metabolites/HMDB04810 HMDB NA NA +HMDB04810 5C-aglycone C16H16O4 272.10486 HMDB04810 PFEM_hmdb_metabocards_official NA NA +C04547 1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene C16H16O4 272.1049 NA KEGG NA NA +C09014 5-O-Methylalloptaeroxylin C16H16O4 272.1049 NA KEGG NA NA +C09644 2',6'-Dihydroxy-4'-methoxydihydrochalcone C16H16O4 272.1049 NA KEGG NA NA +C10340 Eleutherin C16H16O4 272.1049 NA KEGG NA NA +C10372 9-Methoxy-alpha-lapachone C16H16O4 272.1049 NA KEGG NA NA +C10540 Vestitol C16H16O4 272.1049 NA KEGG NA NA +C16225 (-)-Vestitol C16H16O4 272.1049 NA KEGG NA NA +C18133 Deoxyshikonin C16H16O4 272.1049 NA KEGG NA NA +MJ020384 Fumarylcarboxamido-2,3-diaminopropanoylalanine C10H16N4O5 272.112069 NA MeJP NA NA +MJ020385 1-(1-Hydroxy-2-methoxyethyl)-4-methoxy-?-carboline C15H16N2O3 272.116092 NA MeJP NA NA +MJ020386 12-Hydroxy-16-methoxy-11,12,13,14-tetradehydrocamoensine C15H16N2O3 272.116092 NA MeJP NA NA +MJ020387 Camonagrel C15H16N2O3 272.116092 NA MeJP NA NA +MJ020388 Pretomaymycin C15H16N2O3 272.116092 NA MeJP NA NA +MJ020389 Chloriolin A C14H21ClO3 272.117922 NA MeJP NA NA +MJ020390 Napalilactone C14H21ClO3 272.117922 NA MeJP NA NA +MJ020391 Sotalol C12H20N2O3S 272.119463 NA MeJP NA NA +C07309 Sotalol C12H20N2O3S 272.1195 NA KEGG NA NA +MJ020392 2,4,6,8-Nonanetetrone; 2,8-Bis(ethylene ketal) C13H20O6 272.125988 NA MeJP NA NA +MJ020393 3,4-Dihydroxy-1,7-dioxaspiro[4.4]nonan-8-one; 4-Hexanoyl C13H20O6 272.125988 NA MeJP NA NA +MJ020394 4-(1,2,3-Trihydroxypropyl)-2(5H)-furanone; 3'-Hexanoyl C13H20O6 272.125988 NA MeJP NA NA +MJ020395 Syringolide 1 C13H20O6 272.125988 NA MeJP NA NA +C09240 Sempervirine C19H16N2 272.1313 NA KEGG NA NA +MJ020396 Sempervirine C19H16N2 272.131348 NA MeJP NA NA +7572 ACE inhibitor from myosin heavy chain ITTNP 272.13645 MH2+ Inhouse_peptide NA peptide +MJ020397 2-Amino-4-methyl-4-hexenoic acid, ?-Glutamyl C12H20N2O5 272.137221 NA MeJP NA NA +MJ020398 Euscamine B C12H20N2O5 272.137221 NA MeJP NA NA +7 Myosin ITTNP 272.1375 MH2+ Inhouse_peptide NA peptide +C09003 2,2-Dimethyl-8-prenylchromene 6-carboxylic acid C17H20O3 272.1412 NA KEGG NA NA +C14719 Methallenestrilphenol C17H20O3 272.1412 NA KEGG NA NA +C14888 (+)-Methallenestrilphenol C17H20O3 272.1412 NA KEGG NA NA +C15153 (-)-Methallenestrilphenol C17H20O3 272.1412 NA KEGG NA NA +MJ020399 1,8,13,16-Heptadecatetraene-4,6-diyne-3,11,12-triol C17H20O3 272.141244 NA MeJP NA NA +MJ020400 1,9,14-Pentadecatriene-4,6-diyne-3,8-diol, 8-Ac C17H20O3 272.141244 NA MeJP NA NA +MJ020401 1-(3,5-Dihydroxy-2-methylphenyl)-2-(2-hydroxyphenyl)ethane; 2',5-Di-Me ether C17H20O3 272.141244 NA MeJP NA NA +MJ020402 1-Acetoxydihydroisochromolaenin C17H20O3 272.141244 NA MeJP NA NA +MJ020403 17-Hydroxy-7,9,15-heptadecatriene-11,13-diynoic acid C17H20O3 272.141244 NA MeJP NA NA +MJ020404 2,2-Dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-carboxylic acid C17H20O3 272.141244 NA MeJP NA NA +MJ020405 2-(5-Phenylpentanoyl)-1,3-cyclohexanedione C17H20O3 272.141244 NA MeJP NA NA +MJ020406 2-Methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-6-carboxylic acid C17H20O3 272.141244 NA MeJP NA NA +MJ020407 3,5-Dihydroxy-4-(3-hydroxy-3-methylbutyl)biphenyl C17H20O3 272.141244 NA MeJP NA NA +MJ020408 3-Hydroxy-16-oxaestra-1,3,5(10)-trien-17-one C17H20O3 272.141244 NA MeJP NA NA +MJ020409 3-Hydroxy-7,9,15-heptadecatriene-11,13-diynoic acid C17H20O3 272.141244 NA MeJP NA NA +MJ020410 4-Hydroxy-8-pentyl-1-naphthalenecarboxylic acid; Me ether C17H20O3 272.141244 NA MeJP NA NA +MJ020411 Bunaprolast C17H20O3 272.141244 NA MeJP NA NA +MJ020412 Cacalol; Ac C17H20O3 272.141244 NA MeJP NA NA +MJ020413 Cordiachrome A; 2- or 3-Methoxy C17H20O3 272.141244 NA MeJP NA NA +MJ020414 Cordiachrome B; 2- or 3-Methoxy C17H20O3 272.141244 NA MeJP NA NA +MJ020415 Cordiachrome C; 2- or 3-Methoxy C17H20O3 272.141244 NA MeJP NA NA +MJ020416 Furanoeudesma-1,3-dien-15-ol; Ac C17H20O3 272.141244 NA MeJP NA NA +MJ020417 Furocaulerpin C17H20O3 272.141244 NA MeJP NA NA +MJ020418 Inophyllic acid C17H20O3 272.141244 NA MeJP NA NA +MJ020419 Lhotzchromene C17H20O3 272.141244 NA MeJP NA NA +MJ020420 Lindenene; 6?-Acetoxy C17H20O3 272.141244 NA MeJP NA NA +MJ020421 Sargasal II; 1',2'-Dihydro C17H20O3 272.141244 NA MeJP NA NA +MJ020422 Verimol F C17H20O3 272.141244 NA MeJP NA NA +MJ020423 2,3-Dihydro-3,3-dimethyl-1H-pyrrolo[1,2-a]indole-9-alanine C16H20N2O2 272.152477 NA MeJP NA NA +MJ020424 4-(3-Methyl-2-butenyl)tryptophan C16H20N2O2 272.152477 NA MeJP NA NA +MJ020425 Perisoxal C16H20N2O2 272.152477 NA MeJP NA NA +MJ020426 Pseudophrynaminol, ar-Hydroxy, 8,8a-didehydro C16H20N2O2 272.152477 NA MeJP NA NA +MJ020427 Tryptamine; Nb-(3-Methyl-2-oxopentanoyl) C16H20N2O2 272.152477 NA MeJP NA NA +MJ020428 Dimethylallyltryptophan C16H20N2O2 272.152477 NA MeJP NA NA +MetaCyc02444 4-(3-methylbut-2-enyl)-L-tryptophan [] C16H20N2O2 272.152478 NA metacyc NA NA +C04290 4-(3-Methylbut-2-enyl)-L-tryptophan C16H20N2O2 272.1525 NA KEGG NA NA +C06067 Dimethylallyltryptophan C16H20N2O2 272.1525 NA KEGG NA NA +C14278 1,1,2-Triphenylpropane C21H20 272.1565 NA KEGG NA NA +MJ020429 12,18-Heneicosadiene-1,3,8,10,20-pentayne C21H20 272.1565 NA MeJP NA NA +C15463 (R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol C18H21FO 272.1576 NA KEGG NA NA +EUR384 Oestradiol F1 NA 272.168775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR384 Oestradiol F1 NA 272.168775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR384 Oestradiol F1 NA 272.168775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR384 Oestradiol F1 NA 272.168775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR384 Oestradiol F1 NA 272.168775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR384 Oestradiol F1 NA 272.168775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR384 Oestradiol F1 NA 272.168775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR384 Oestradiol F1 NA 272.168775 standards wishlist analysés sur QTOF HMDB NA NA +EUR384 Oestradiol F1 NA 272.168775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR384 Oestradiol F1 NA 272.168775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR384 Oestradiol F1 NA 272.168775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR384 Oestradiol F1 NA 272.168775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR106 Estradiol C18H24O2 272.1776 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR106 Estradiol C18H24O2 272.1776 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR106 Estradiol C18H24O2 272.1776 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR106 Estradiol C18H24O2 272.1776 Wishlist Inhousejuil11 NA NA +C00951 Estradiol C18H24O2 272.1776 NA KEGG NA NA +C00952 Fibrinopeptide A C18H24O2 272.1776 NA KEGG NA NA +C00953 Immunoglobulin A C18H24O2 272.1776 NA KEGG NA NA +C02537 Estradiol-17alpha C18H24O2 272.1776 NA KEGG NA NA +C14500 19-Norandrostenedione C18H24O2 272.1776 NA KEGG NA NA +C15129 Estra-1,3,5(10)-triene-2,17beta-diol C18H24O2 272.1776 NA KEGG NA NA +C15261 Estra-1,3,5(10)-triene-3,16beta-diol C18H24O2 272.1776 NA KEGG NA NA +EUR106 Estradiol C18H24O2 272.17763 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR106 Estradiol C18H24O2 272.17763 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR106 Estradiol C18H24O2 272.17763 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR106 Estradiol C18H24O2 272.17763 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR106 Estradiol C18H24O2 272.17763 Wishlist HMDB NA NA +EUR106 Estradiol C18H24O2 272.17763 Wishlist Inhouse_PFEM NA NA +MJ020430 Estradiol-17beta C18H24O2 272.17763 NA MeJP NA NA +MJ020431 12-Hydroxy-13-methyl-8,11,13-podocarpatrien-3-one; ent-form C18H24O2 272.17763 NA MeJP NA NA +MJ020432 12-Hydroxy-13-methyl-8,11,13-podocarpatrien-7-one C18H24O2 272.17763 NA MeJP NA NA +MJ020433 13,17-Octadecadiene-9,11-diynoic acid C18H24O2 272.17763 NA MeJP NA NA +MJ020434 3-(2-Hydroxy-4,8-dimethyl-3,7-nonadienyl)benzaldehyde C18H24O2 272.17763 NA MeJP NA NA +MJ020435 4-Hydroxy-3,5-diprenylacetophenone C18H24O2 272.17763 NA MeJP NA NA +MJ020436 6,8,12,14-Hexadecatetraen-10-yn-1-ol, Ac C18H24O2 272.17763 NA MeJP NA NA +MJ020437 7,20-Epoxy-13-methyl-8,11,13-podocarpatrien-12-ol C18H24O2 272.17763 NA MeJP NA NA +MJ020438 8,10,12-Octadecatriynoic acid C18H24O2 272.17763 NA MeJP NA NA +MJ020439 Bakuchiol, 12,13-Epoxide C18H24O2 272.17763 NA MeJP NA NA +MJ020440 Bakuchiol, 3-Hydroxy C18H24O2 272.17763 NA MeJP NA NA +MJ020441 Bakuchiol, ?11-Isomer, 13-hydroxy C18H24O2 272.17763 NA MeJP NA NA +MJ020442 Bakuchiol, ?13-Isomer, 12-hydroxy C18H24O2 272.17763 NA MeJP NA NA +MJ020443 Estra-1,3,5(10)-triene-3,17-diol; 17?-form C18H24O2 272.17763 NA MeJP NA NA +MJ020444 Estra-1,3,5(10)-triene-3,17-diol; 17?-form C18H24O2 272.17763 NA MeJP NA NA +MJ020445 Heudelotinone; 1,2-Dihydro, 3?-alcohol C18H24O2 272.17763 NA MeJP NA NA +MJ020446 Przewalskin C18H24O2 272.17763 NA MeJP NA NA +MetaCyc02445 estradiol-17β [estradiol;β-Estradiol;] C18H24O2 272.17763 50-28-2 metacyc NA NA +MetaCyc02446 estradiol-17α [17α-Estradiol;] C18H24O2 272.17763 57-91-0 metacyc NA NA +EUR106 Estradiol C18H24O2 272.17763 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR106 Estradiol C18H24O2 272.17763 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00429 17a-Estradiol C18H24O2 272.17764 http://www.hmdb.ca/metabolites/HMDB00429 PFEM_hmdb_metabocards_urine NA urine +HMDB00151 Estradiol C18H24O2 272.17764 http://www.hmdb.ca/metabolites/HMDB00151 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00429 17a-Estradiol C18H24O2 272.17764 http://www.hmdb.ca/metabolites/HMDB00429 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00429 17a-Estradiol C18H24O2 272.17764 http://www.hmdb.ca/metabolites/HMDB00429 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00429 17a-Estradiol C18H24O2 272.17764 http://www.hmdb.ca/metabolites/HMDB00429 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00151 Estradiol C18H24O2 272.17764 http://www.hmdb.ca/metabolites/HMDB00151 HMDB NA NA +HMDB00429 17a-Estradiol C18H24O2 272.17764 http://www.hmdb.ca/metabolites/HMDB00429 HMDB NA NA +HMDB00151 Estradiol C18H24O2 272.17764 http://www.hmdb.ca/metabolites/HMDB00151 PFEM_hmdb_metabocards_blood NA blood +HMDB00429 17a-Estradiol C18H24O2 272.17764 http://www.hmdb.ca/metabolites/HMDB00429 PFEM_hmdb_metabocards_blood NA blood +HMDB00151 Estradiol C18H24O2 272.17764 HMDB00151 PFEM_hmdb_metabocards_official NA NA +HMDB00429 17a-Estradiol C18H24O2 272.17764 HMDB00429 PFEM_hmdb_metabocards_official NA NA +HMDB00151 Estradiol C18H24O2 272.177643 NA HMDB2010 NA NA +HMDB00429 17a-Estradiol C18H24O2 272.177643 NA HMDB2010 NA NA +CJpos0674 Heptenoylcarnitine isomer [(M+H)]+ (13C) C1313CH26NO4 272.181175 C18rt(min)=6.5 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0675 Heptenoylcarnitine isomer [(M+H)]+ (13C) C1313CH26NO4 272.181175 C18rt(min)=6.85 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0674 Heptenoylcarnitine isomer [(M+H)]+ (13C) C1313CH26NO4 272.181175 C18rt(min)=6.5 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0675 Heptenoylcarnitine isomer [(M+H)]+ (13C) C1313CH26NO4 272.181175 C18rt(min)=6.85 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ020447 ?-Obscurine; Natural-form C17H24N2O 272.188863 NA MeJP NA NA +MJ020448 Borbonicine C17H24N2O 272.188863 NA MeJP NA NA +MJ020449 Homothermopsine C17H24N2O 272.188863 NA MeJP NA NA +MJ020450 Isoobscurinine C17H24N2O 272.188863 NA MeJP NA NA +MJ020451 Obscurinine C17H24N2O 272.188863 NA MeJP NA NA +MJ020452 Pilsicainide C17H24N2O 272.188863 NA MeJP NA NA +MJ020453 Pseudophrynaminol, N8-Me C17H24N2O 272.188863 NA MeJP NA NA +MJ020454 Quinisocaine C17H24N2O 272.188863 NA MeJP NA NA +C09890 beta-Obscurine C17H24N2O 272.1889 NA KEGG NA NA +MJ020455 1,2,4,11-Eudesmanetetrol C15H28O4 272.198759 NA MeJP NA NA +MJ020456 1,4,6,15-Eudesmanetetrol C15H28O4 272.198759 NA MeJP NA NA +MJ020457 3,4,6,11-Eudesmanetetrol C15H28O4 272.198759 NA MeJP NA NA +MJ020458 7(14)-Bisabolene-2,3,10,11-tetrol C15H28O4 272.198759 NA MeJP NA NA +HMDB11684 N(6)-(Octanoyl)lysine C14H28N2O3 272.209991 NA HMDB2010 NA NA +EUR462 Dehydrotestosterone glucuronide F7 F7 272.211375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR462 Dehydrotestosterone glucuronide F7 NA 272.211375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR462 Dehydrotestosterone glucuronide F7 F7 272.211375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR462 Dehydrotestosterone glucuronide F7 NA 272.211375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR462 Dehydrotestosterone glucuronide F7 F7 272.211375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR462 Dehydrotestosterone glucuronide F7 NA 272.211375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR462 Dehydrotestosterone glucuronide F7 F7 272.211375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR462 Déhydrotestosterone glucuronide F7 F7 272.211375 standards wishlist analysés sur QTOF HMDB NA NA +EUR462 Dehydrotestosterone glucuronide F7 F7 272.211375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR462 Dehydrotestosterone glucuronide F7 NA 272.211375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR462 Dehydrotestosterone glucuronide F7 F7 272.211375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR462 Dehydrotestosterone glucuronide F7 F7 272.211375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0676 Androsterone glucuronide [(M+H)-(C6H8O6)-(H2O)]+ C19H29O 272.213475 C18rt(min)=8.7 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0676 Androsterone glucuronide [(M+H)-(C6H8O6)-(H2O)]+ C19H29O 272.213475 C18rt(min)=8.7 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C00619 3-Oxo-delta4-steroid C19H28O 272.214 NA KEGG NA NA +C01034 3-Oxo-delta5-steroid C19H28O 272.214 NA KEGG NA NA +C02941 3-Oxo-delta1-steroid C19H28O 272.214 NA KEGG NA NA +MJ020459 18-Nor-8,11,13-abietatrien-4-ol C19H28O 272.214015 NA MeJP NA NA +MJ020460 19-Nor-7,15-isopimaradien-3-one C19H28O 272.214015 NA MeJP NA NA +MJ020461 19-Nor-8(14),15-isopimaradien-3-one C19H28O 272.214015 NA MeJP NA NA +MJ020462 19-Nor-8(14),15-pimaradien-3-one C19H28O 272.214015 NA MeJP NA NA +MJ020463 19-Norloba-8,10,13(15),16-tetraen-18-one C19H28O 272.214015 NA MeJP NA NA +MJ020464 4,19-Epoxy-18-nor-16-kaurene C19H28O 272.214015 NA MeJP NA NA +MJ020465 6-(3-Hydroxy-3-methyl-4-pentenyl)-1,1,5-trimethyltetralin C19H28O 272.214015 NA MeJP NA NA +MJ020466 Androst-16-en-3-one; 5?-form C19H28O 272.214015 NA MeJP NA NA +HMDB06046 5a-Androst-3-en-17-one C19H28O 272.21402 http://www.hmdb.ca/metabolites/HMDB06046 HMDB NA NA +HMDB06046 5a-Androst-3-en-17-one C19H28O 272.21402 HMDB06046 PFEM_hmdb_metabocards_official NA NA +HMDB06046 5a-Androst-3-en-17-one C19H28O 272.21402 NA HMDB2010 NA NA +MJ020467 16-Fluoro-9-hexadecenoic acid C16H29FO2 272.215158 NA MeJP NA NA +EUR454 Androsterone glucuronide F5 F5 272.215475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR454 Androsterone glucuronide F5 NA 272.215475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR454 Androsterone glucuronide F5 F5 272.215475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR454 Androsterone glucuronide F5 NA 272.215475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR454 Androsterone glucuronide F5 F5 272.215475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR454 Androsterone glucuronide F5 NA 272.215475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR454 Androsterone glucuronide F5 F5 272.215475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR454 Androstérone glucuronide F5 F5 272.215475 standards wishlist analysés sur QTOF HMDB NA NA +EUR454 Androsterone glucuronide F5 F5 272.215475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR454 Androsterone glucuronide F5 NA 272.215475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR454 Androsterone glucuronide F5 F5 272.215475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR454 Androsterone glucuronide F5 F5 272.215475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ020468 Phascolosomine C13H28N4O2 272.221226 NA MeJP NA NA +MJ020469 Aloperine; N-(2-Propenyl) C18H28N2 272.225248 NA MeJP NA NA +HMDB10734 (R)-3-Hydroxy-hexadecanoic acid C16H32O3 272.235138 NA HMDB2010 NA NA +MJ020470 11-Hydroxyhexadecanoic acid C16H32O3 272.235144 NA MeJP NA NA +MJ020471 16-Hydroxyhexadecanoic acid C16H32O3 272.235144 NA MeJP NA NA +MJ020472 2-Hydroxyhexadecanoic acid C16H32O3 272.235144 NA MeJP NA NA +MJ020473 3-Hydroxyhexadecanoic acid C16H32O3 272.235144 NA MeJP NA NA +MJ020474 8-Hydroxyhexadecanoic acid C16H32O3 272.235144 NA MeJP NA NA +MJ020475 9-Hydroxypentadecanoic acid; Me ether C16H32O3 272.235144 NA MeJP NA NA +MetaCyc02447 16-hydroxypalmitate [] C16H32O3 272.235145 NA metacyc NA NA +MJ020476 Dibutoline(1+) C15H33N2O2(+) 272.246378 NA MeJP NA NA +C01414 Casbene C20H32 272.2504 NA KEGG NA NA +C06086 Pimaradiene C20H32 272.2504 NA KEGG NA NA +C06090 ent-Kaurene C20H32 272.2504 NA KEGG NA NA +C09140 Neocembrene C20H32 272.2504 NA KEGG NA NA +C11877 (+)-Sandaracopimaradiene C20H32 272.2504 NA KEGG NA NA +C11878 (-)-Abietadiene C20H32 272.2504 NA KEGG NA NA +C11879 Levopimaradiene C20H32 272.2504 NA KEGG NA NA +C11880 Neoabietadiene C20H32 272.2504 NA KEGG NA NA +C11881 Palustradiene C20H32 272.2504 NA KEGG NA NA +C11891 Aphidicol-16-ene C20H32 272.2504 NA KEGG NA NA +C11892 Aphidicol-15-ene C20H32 272.2504 NA KEGG NA NA +C11893 Cembrene C20H32 272.2504 NA KEGG NA NA +C11894 Taxa-4(5),11(12)-diene C20H32 272.2504 NA KEGG NA NA +MJ020477 ent-Kaurene C20H32 272.250401 NA MeJP NA NA +MJ020478 1,3(20),6,10,14-Phytapentaene C20H32 272.250401 NA MeJP NA NA +MJ020479 1,3,7,11-Cembratetraene C20H32 272.250401 NA MeJP NA NA +MJ020480 1,5-Dimethyl-8-(5-methyl-1-methylene-4-hexenyl)-1,5-cyclodecadiene C20H32 272.250401 NA MeJP NA NA +MJ020481 10(14),17-Cneorubadiene C20H32 272.250401 NA MeJP NA NA +MJ020482 12,18-Cyathadiene C20H32 272.250401 NA MeJP NA NA +MJ020483 13(15),17-Spatadiene C20H32 272.250401 NA MeJP NA NA +MJ020484 13(17),15-Cleistanthadiene C20H32 272.250401 NA MeJP NA NA +MJ020485 15-Atisene; ent-form C20H32 272.250401 NA MeJP NA NA +MJ020486 15-Beyerene C20H32 272.250401 NA MeJP NA NA +MJ020487 15-Devadarene; ent-form C20H32 272.250401 NA MeJP NA NA +MJ020488 15-Kaurene C20H32 272.250401 NA MeJP NA NA +MJ020489 15-Phyllocladene C20H32 272.250401 NA MeJP NA NA +MJ020490 16-Atisene; ent-form C20H32 272.250401 NA MeJP NA NA +MJ020491 16-Kaurene C20H32 272.250401 NA MeJP NA NA +MJ020492 16-Phyllocladene C20H32 272.250401 NA MeJP NA NA +MJ020493 2,10(14)-Fusicoccadiene C20H32 272.250401 NA MeJP NA NA +MJ020494 2,13-Valparadiene C20H32 272.250401 NA MeJP NA NA +MJ020495 2,15-Valparadiene C20H32 272.250401 NA MeJP NA NA +MJ020496 2,4(18),7,11-Cembratetraene C20H32 272.250401 NA MeJP NA NA +MJ020497 2,4,7,11-Cembratetraene C20H32 272.250401 NA MeJP NA NA +MJ020498 3,13(16),14-Clerodatriene; ent-form C20H32 272.250401 NA MeJP NA NA +MJ020499 3,7,11,15-Cembratetraene C20H32 272.250401 NA MeJP NA NA +MJ020500 3,7,11-Dolabellatriene C20H32 272.250401 NA MeJP NA NA +MJ020501 3,7,12(18)-Dolabellatriene C20H32 272.250401 NA MeJP NA NA +MJ020502 3,7,18-Dolabellatriene C20H32 272.250401 NA MeJP NA NA +MJ020503 4(18),15-Erythroxyladiene; 13?-form C20H32 272.250401 NA MeJP NA NA +MJ020504 4,10(19),15-Bifloratriene C20H32 272.250401 NA MeJP NA NA +MJ020505 4,9,15-Bifloratriene C20H32 272.250401 NA MeJP NA NA +MJ020506 5,15-Rosadiene C20H32 272.250401 NA MeJP NA NA +MJ020507 5,9-Dimethyl-1-phenyl-5-vinyldecane C20H32 272.250401 NA MeJP NA NA +MJ020508 5,9-Dimethyl-5-vinyl-1-phenyldecane C20H32 272.250401 NA MeJP NA NA +MJ020509 6,11-Sphaerodiene C20H32 272.250401 NA MeJP NA NA +MJ020510 7(17),10(14)-Fusicoccadiene C20H32 272.250401 NA MeJP NA NA +MJ020511 7,11,13-Labdatriene C20H32 272.250401 NA MeJP NA NA +MJ020512 7,11-Sphaerodiene C20H32 272.250401 NA MeJP NA NA +MJ020513 7,12,14-Labdatriene C20H32 272.250401 NA MeJP NA NA +MJ020514 7,13-Abietadiene; ent-form C20H32 272.250401 NA MeJP NA NA +MJ020515 7,15-Isopimaradiene C20H32 272.250401 NA MeJP NA NA +MJ020516 8(14),15-Isopimaradiene C20H32 272.250401 NA MeJP NA NA +MJ020517 8(14),15-Pimaradiene; ent-form C20H32 272.250401 NA MeJP NA NA +MJ020518 8(17),11,13-Labdatriene C20H32 272.250401 NA MeJP NA NA +MJ020519 8(17),12,14-Labdatriene C20H32 272.250401 NA MeJP NA NA +MJ020520 8(17),13(16),14-Labdatriene C20H32 272.250401 NA MeJP NA NA +MJ020521 8,10,13(15),18-Lobatetraene; 13(15)E-form C20H32 272.250401 NA MeJP NA NA +MJ020522 8,13-Abietadiene C20H32 272.250401 NA MeJP NA NA +MJ020523 9-Geranyl-?-terpinene C20H32 272.250401 NA MeJP NA NA +MJ020524 ?-Camphorene C20H32 272.250401 NA MeJP NA NA +MJ020525 Antibiotic Sch 49026 C20H32 272.250401 NA MeJP NA NA +MJ020526 Casbene C20H32 272.250401 NA MeJP NA NA +MJ020527 Cneorubin Y C20H32 272.250401 NA MeJP NA NA +MJ020528 Cubitene C20H32 272.250401 NA MeJP NA NA +MJ020529 Cubugene C20H32 272.250401 NA MeJP NA NA +MJ020530 Dictytriene A C20H32 272.250401 NA MeJP NA NA +MJ020531 Flexibilene C20H32 272.250401 NA MeJP NA NA +MJ020532 Laurenene C20H32 272.250401 NA MeJP NA NA +MJ020533 Trachylobane; ent-form C20H32 272.250401 NA MeJP NA NA +MJ020534 Traversiadiene C20H32 272.250401 NA MeJP NA NA +MJ020535 Trixagoene C20H32 272.250401 NA MeJP NA NA +MJ020536 Waihoensene C20H32 272.250401 NA MeJP NA NA +MJ020537 ?-Camphorene C20H32 272.250401 NA MeJP NA NA +MetaCyc02448 taxa-4,11-diene [] C20H32 272.250401 NA metacyc NA NA +MetaCyc02449 casbene [] C20H32 272.250401 24286-51-9 metacyc NA NA +MetaCyc02450 (-)-abietadiene [abietadiene;7-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene;] C20H32 272.250401 NA metacyc NA NA +MetaCyc02451 ent-kaur-16-ene [ent-kaurene;] C20H32 272.250401 NA metacyc NA NA +MetaCyc02452 ent-pimara-8(14),15-diene [] C20H32 272.250401 NA metacyc NA NA +MetaCyc02453 9β-pimara-7,15-diene [] C20H32 272.250401 NA metacyc NA NA +MetaCyc02454 ent-sandaracopimaradiene [] C20H32 272.250401 NA metacyc NA NA +MetaCyc02455 stemar-13-ene [] C20H32 272.250401 NA metacyc NA NA +MetaCyc02456 ent-cassa-12,15-diene [] C20H32 272.250401 NA metacyc NA NA +MJ020538 1,17-Heptadecanediol C17H36O2 272.27153 NA MeJP NA NA +3371 ACE inhibitor from b-CN AVPYP 272.636 MH2+ Inhouse_peptide NA peptide +MJ020539 3,6-Dibromo-1H-indole C8H5Br2N 272.878874 NA MeJP NA NA +MJ020540 4,6-Dibromo-1H-indole C8H5Br2N 272.878874 NA MeJP NA NA +MJ020541 Loreclezole C10H6Cl3N3 272.96273 NA MeJP NA NA +MJ020542 Furazolium(1+); Chloride C9H8ClN3O3S 272.997489 NA MeJP NA NA +MJ020543 3-Methylarsacetin C9H12AsNO4 272.998229 NA MeJP NA NA +MJ020544 Stepronin C10H11NO4S2 273.012949 NA MeJP NA NA +MJ020545 Oxapropanium(1+); Iodide C7H16INO2 273.022572 NA MeJP NA NA +MJ020546 Chlormezanone C11H12ClNO3S 273.022641 NA MeJP NA NA +MJ020547 Deoxyrubroflavin; 3-S-Oxide (S-) C9H11N3O3S2 273.024182 NA MeJP NA NA +MJ020548 Brolamfetamine C11H16BrNO2 273.036441 NA MeJP NA NA +MJ020549 1,4-Dihydro-6-(1H-imidazol-1-yl)-7-nitro-2,3-quinoxalinedione C11H7N5O4 273.049803 NA MeJP NA NA +MJ020550 Microxine C8H11N5O4S 273.053174 NA MeJP NA NA +MJ020551 Carprofen C15H12ClNO2 273.055656 NA MeJP NA NA +MJ020552 5-Amino-3-(4-methoxyphenyl)-7H-thiazolo[3,2-a]pyrimidin-7-one C13H11N3O2S 273.057197 NA MeJP NA NA +MJ020553 Antibiotic SF 2738D; S-Oxide C13H11N3O2S 273.057197 NA MeJP NA NA +MetaCyc02457 dinitro-L-tyrosine [3,5-dinitro-L-tyrosine;3,5-dinitrotyrosine;] C9H11N3O7 273.0597 17360-11-11 metacyc NA NA +CJneg0490 Cinnamoylglycine [(M-H)+(HCOONa)]- C12H11NNaO5 273.061825 C18rt(min)=7.03 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0490 Cinnamoylglycine [(M-H)+(HCOONa)]- C12H11NNaO5 273.061825 C18rt(min)=7.03 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ020554 Adefovir C8H12N5O4P 273.06269 NA MeJP NA NA +C11277 Adefovir C8H12N5O4P 273.0627 NA KEGG NA NA +C07949 Tolcapone C14H11NO5 273.0637 NA KEGG NA NA +C07950 Transferred to D00787 C14H11NO5 273.0637 NA KEGG NA NA +C07951 Transferred to D00788 C14H11NO5 273.0637 NA KEGG NA NA +C10678 Flindersiamine C14H11NO5 273.0637 NA KEGG NA NA +MJ020555 2-Amino-5-hydroxybenzoic acid; N-(4-Hydroxybenzoyl) C14H11NO5 273.063722 NA MeJP NA NA +MJ020556 2-Benzamidobenzoic acid; 2',4'-Dihydroxy C14H11NO5 273.063722 NA MeJP NA NA +MJ020557 2-Benzamidobenzoic acid; 2',4-Dihydroxy C14H11NO5 273.063722 NA MeJP NA NA +MJ020558 3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone C14H11NO5 273.063722 NA MeJP NA NA +MJ020559 Furo[2,3-b]quinoline-4,6,7,8-tetrol; NH-form, 6,7-Methylene, 8-Me ether, N-Me C14H11NO5 273.063722 NA MeJP NA NA +MJ020560 Furo[2,3-b]quinoline-4,6,7,8-tetrol; OH-form, 6,7-Methylene, 4,8-di-Me ether C14H11NO5 273.063722 NA MeJP NA NA +MJ020561 Bamaluzole C14H12ClN3O 273.066889 NA MeJP NA NA +MJ020562 Tosulur C11H15NO5S 273.067093 NA MeJP NA NA +MetaCyc02458 tetcyclacis [] C13H12N5CL1 273.078123 NA metacyc NA NA +EUR230 Sialic acid F4 F4 273.079475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR230 Acide sialique F4 NA 273.079475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR230 Sialic acid F4 F4 273.079475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR230 Acide sialique F4 NA 273.079475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR230 Sialic acid F4 F4 273.079475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR230 Acide sialique F4 NA 273.079475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR230 Sialic acid F4 F4 273.079475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR230 Sialic acid F4 F4 273.079475 standards wishlist analysés sur QTOF HMDB NA NA +EUR230 Sialic acid F4 F4 273.079475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR230 Acide sialique F4 NA 273.079475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR230 Sialic acid F4 F4 273.079475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR230 Sialic acid F4 F4 273.079475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ020563 Modafinil C15H15NO2S 273.082349 NA MeJP NA NA +C10849 Brugine C12H19NO2S2 273.0857 NA KEGG NA NA +MJ020564 Brugine C12H19NO2S2 273.08572 NA MeJP NA NA +HMDB00667 L-Thyronine C15H15NO4 273.100098 NA HMDB2010 NA NA +HMDB00667 L-Thyronine C15H15NO4 273.1001 http://www.hmdb.ca/metabolites/HMDB00667 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00667 L-Thyronine C15H15NO4 273.1001 http://www.hmdb.ca/metabolites/HMDB00667 HMDB NA NA +C15089 1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid C15H15NO4 273.1001 NA KEGG NA NA +HMDB00667 L-Thyronine C15H15NO4 273.1001 http://www.hmdb.ca/metabolites/HMDB00667 PFEM_hmdb_metabocards_blood NA blood +HMDB00667 L-Thyronine C15H15NO4 273.1001 HMDB00667 PFEM_hmdb_metabocards_official NA NA +HMDB00667 L-Thyronine C15H15NO4 273.1001 NA ;SYN:3-Nitrotyrosine; 5-Nitrotyrosine; m-NitrotyrosineH2Blood; Cerebrospinal Fluid Inhouse_peptide NA peptide +MJ020565 Flindersine; 6-Methoxy, 8-hydroxy C15H15NO4 273.100107 NA MeJP NA NA +MJ020566 Furo[2,3-b]quinoline-4,7,8-triol; NH-form, 7,8-Di-Me ether, N-Et C15H15NO4 273.100107 NA MeJP NA NA +MJ020567 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4-Et, 7,8-di-Me ether C15H15NO4 273.100107 NA MeJP NA NA +MJ020568 Pyrenoline A C15H15NO4 273.100107 NA MeJP NA NA +MJ020569 Schumagnine C15H15NO4 273.100107 NA MeJP NA NA +MJ020570 Zelandopam C15H15NO4 273.100107 NA MeJP NA NA +7871 peptide from soybean protein isolate: b-conglycinin TTYY 273.11 MH2+ Inhouse_peptide NA peptide +MJ020571 Ergothioneine; S-(2-Hydroxyethyl) C11H19N3O3S 273.114712 NA MeJP NA NA +MJ020572 Otanthusic acid, Piperidide C16H19NOS 273.118734 NA MeJP NA NA +HMDB13129 Glutaconylcarnitine C12H19NO6 273.121246 NA HMDB2010 NA NA +MJ020573 Fasiplon C13H15N5O2 273.122574 NA MeJP NA NA +C11565 8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene C18H15N3 273.1266 NA KEGG NA NA +8080 synthetic peptide RWW 273.1295 MH2+ Inhouse_peptide NA peptide +3274 NA VTRGD 273.13195 MH2+ Inhouse_peptide NA peptide +PJ000135 GPT C11H19N3O5 273.1325 NA PeJP NA NA +MJ020574 Oxaflozane C14H18F3NO 273.134048 NA MeJP NA NA +MJ020575 1-[5-(3,4-Methylenedioxyphenyl)-2-pentenoyl]pyrrolidine C16H19NO3 273.136493 NA MeJP NA NA +MJ020576 2,4,8-Quinolinetriol; NH-form, 8-O-(3-Methyl-2-butenyl), O4,N-di-Me C16H19NO3 273.136493 NA MeJP NA NA +MJ020577 2,4,8-Trihydroxy-3-prenylquinoline; 4,8-Di-Me ether C16H19NO3 273.136493 NA MeJP NA NA +MJ020578 2,4,8-Trihydroxy-3-prenylquinoline; NH-form, O4,N-Di-Me C16H19NO3 273.136493 NA MeJP NA NA +MJ020579 2,4,8-Trihydroxy-3-prenylquinoline; NH-form, O8,N-Di-Me C16H19NO3 273.136493 NA MeJP NA NA +MJ020580 2-Hydroxy-1-(1H-indol-3-yl)-4-methyl-3-pentanone; O-Ac C16H19NO3 273.136493 NA MeJP NA NA +MJ020581 ?-Erythroidine C16H19NO3 273.136493 NA MeJP NA NA +MJ020582 Balfourodine, 1'-Deoxy C16H19NO3 273.136493 NA MeJP NA NA +MJ020583 Belladine; 3',4'',N-Tri-de-Me C16H19NO3 273.136493 NA MeJP NA NA +MJ020584 Edulinine, 3'-Deoxy, 2'-ketone C16H19NO3 273.136493 NA MeJP NA NA +MJ020585 Edulinine, 3'-Deoxy, 3',4'-didehydro C16H19NO3 273.136493 NA MeJP NA NA +MJ020586 Elwesine C16H19NO3 273.136493 NA MeJP NA NA +MJ020587 Galanthamine, 3-Epimer, N-de-Me C16H19NO3 273.136493 NA MeJP NA NA +MJ020588 Galanthamine, N-De-Me C16H19NO3 273.136493 NA MeJP NA NA +MJ020589 Glycocitlone A C16H19NO3 273.136493 NA MeJP NA NA +MJ020590 Glycolone C16H19NO3 273.136493 NA MeJP NA NA +MJ020591 Isoladol C16H19NO3 273.136493 NA MeJP NA NA +MJ020592 Isoplatydesmine, Me ether C16H19NO3 273.136493 NA MeJP NA NA +MJ020593 Leucojum Base D C16H19NO3 273.136493 NA MeJP NA NA +MJ020594 Maritidine, 3-Epimer, O8-de-Me C16H19NO3 273.136493 NA MeJP NA NA +MJ020595 Maritidine, O8-De-Me C16H19NO3 273.136493 NA MeJP NA NA +MJ020596 Maritidine, O9-De-Me C16H19NO3 273.136493 NA MeJP NA NA +MJ020597 Maritidine, O8-De-Me C16H19NO3 273.136493 NA MeJP NA NA +MJ020598 Mesembrenone, O4'-De-Me C16H19NO3 273.136493 NA MeJP NA NA +MJ020599 Ornazidine C16H19NO3 273.136493 NA MeJP NA NA +MJ020600 Piperlonguminine C16H19NO3 273.136493 NA MeJP NA NA +MJ020601 Pluviine; 16-Epimer, O9-de-Me C16H19NO3 273.136493 NA MeJP NA NA +MJ020602 Pluviine; O10-De-Me C16H19NO3 273.136493 NA MeJP NA NA +MJ020603 Pluviine; O9-De-Me C16H19NO3 273.136493 NA MeJP NA NA +MJ020604 Prodolic acid C16H19NO3 273.136493 NA MeJP NA NA +MJ020605 Sanguinine C16H19NO3 273.136493 NA MeJP NA NA +MJ020606 ?-Erythroidine C16H19NO3 273.136493 NA MeJP NA NA +MJ020607 2-Methyl-1,4-naphthalenediol; 1-(Trimethylammonioacetyl) C16H20NO3(+) 273.136493 NA MeJP NA NA +MJ020608 Platydesmine, N-Me C16H20NO3(+) 273.136493 NA MeJP NA NA +C06531 alpha-Erythroidine C16H19NO3 273.1365 NA KEGG NA NA +C06532 beta-Erythroidine C16H19NO3 273.1365 NA KEGG NA NA +C10711 Lunacrine C16H19NO3 273.1365 NA KEGG NA NA +C12173 Norgalanthamine C16H19NO3 273.1365 NA KEGG NA NA +C12180 (-)-8-Demethylmaritidine C16H19NO3 273.1365 NA KEGG NA NA +C12232 Sanguinine C16H19NO3 273.1365 NA KEGG NA NA +C16702 4'-O-Methylnorbelladine C16H19NO3 273.1365 NA KEGG NA NA +4011 LDT 2, beta-chain ALCSEK 273.1445 MH2+ Inhouse_peptide NA peptide +C18056 N-Desmethylzolmitriptan C15H19N3O2 273.1477 NA KEGG NA NA +C18058 1D-myo-Inositol bisdiphosphate tetrakisphosphate C15H19N3O2 273.1477 NA KEGG NA NA +MJ020609 Ipanguline D3 C13H23NO5 273.157622 NA MeJP NA NA +3539 ACE inhibitor from alpha-zein LAA 273.158 ACE inhibitor Inhouse_peptide NA peptide +MJ020610 Mopidralazine C14H19N5O 273.15896 NA MeJP NA NA +PJ000136 AAL C12H23N3O4 273.1689 NA PeJP NA NA +7628 ACE inhibitor from k-CN (fr, 67-68) VR 273.169 antioxidative Inhouse_peptide NA peptide +MJ020611 (2,2-Dimethyl-2H-1-benzopyran-6-yl)ethylamine; N-(2-Methylpropanoyl) C17H23NO2 273.172878 NA MeJP NA NA +MJ020612 2-Benzyl-3-tropanol, Ac C17H23NO2 273.172878 NA MeJP NA NA +MJ020613 2-Hexyl-8-methoxy-1-methyl-4(1H)-quinolinone C17H23NO2 273.172878 NA MeJP NA NA +MJ020614 Indolizomycin C17H23NO2 273.172878 NA MeJP NA NA +MJ020615 Joubertiamine, Me ether C17H23NO2 273.172878 NA MeJP NA NA +MJ020616 Lorneamide A C17H23NO2 273.172878 NA MeJP NA NA +MJ020617 Magellanine; Ketone C17H23NO2 273.172878 NA MeJP NA NA +MJ020618 Piperovatine C17H23NO2 273.172878 NA MeJP NA NA +MJ020619 Pyo II C17H23NO2 273.172878 NA MeJP NA NA +MJ020620 Sedinine; 8-Ketone C17H23NO2 273.172878 NA MeJP NA NA +MJ020621 Tilidine C17H23NO2 273.172878 NA MeJP NA NA +MJ020622 Tropanserin C17H23NO2 273.172878 NA MeJP NA NA +MJ020623 N2-Valylarginine; L-L-form C11H23N5O3 273.180089 NA MeJP NA NA +PJ000137 VR C11H23N5O3 273.1801 NA PeJP NA NA +HMDB13238 Heptanoylcarnitine C14H27NO4 273.194 NA HMDB2010 NA NA +MJ020624 Fragin C13H27N3O3 273.205241 NA MeJP NA NA +MJ020625 2,3,5,6,7,8-Hexahydro-N,N-dipropylnaphtho[2,3-b]furan-7-amine C18H27NO 273.209264 NA MeJP NA NA +MJ020626 2,4,10-Tetradecatrien-8-ynoic acid, N-(2-Methylpropyl)amide C18H27NO 273.209264 NA MeJP NA NA +MJ020627 2,4,8,10,12-Tetradecapentaenoic acid, 2-Methylpropylamide C18H27NO 273.209264 NA MeJP NA NA +MJ020628 2,4,8,11-Tetradecatetraenoic acid, Pyrrolidide C18H27NO 273.209264 NA MeJP NA NA +MJ020629 2,4-Tetradecadien-8-ynoic acid, Pyrrolidide C18H27NO 273.209264 NA MeJP NA NA +C13915 Hexadecasphinganine C16H35NO2 273.2668 NA KEGG NA NA +MJ020630 Canavalmine; N'-(3-Aminopropyl) C14H35N5 273.289246 NA MeJP NA NA +3376 NA DFVAP 273.62595 MH2+ Inhouse_peptide NA peptide +8189 peptide from buckwheat VFPW 273.6335 MH2+ Inhouse_peptide NA peptide +2710 erythromycin inhibitor MTIAI 273.6462 MH2+ Inhouse_peptide NA peptide +3540 ACE inhibitor IYPR 273.65 MH2+ Inhouse_peptide NA peptide +MJ020631 2,3,5,6-Tetrachloro-1,4-benzenediol; Di-Me ether C8H6Cl4O2 273.91219 NA MeJP NA NA +C04264 S-(4-Bromophenyl)-mercaptopyruvate C9H7BrO3S 273.9299 NA KEGG NA NA +HMDB12285 Ribose-1-arsenate C5H11AsO8 273.96698 NA HMDB2010 NA NA +MetaCyc02459 ribose-1-arsenate [] C5H11O8AS1 273.966989 NA metacyc NA NA +MJ020632 3-Chloro-4-(3-chloro-4-fluoro-2-nitrophenyl)pyrrole C10H5Cl2FN2O2 273.971211 NA MeJP NA NA +MJ020633 Lachnumol A; 1'-Bromo analogue, 6-dechloro, 1-ketone C10H11BrO4 273.984071 NA MeJP NA NA +MJ020634 1,2,4-Trichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane C10H14Cl4 273.984961 NA MeJP NA NA +MJ020635 N-(Carbamoylmethyl)arsanilic acid C8H11AsN2O4 273.993478 NA MeJP NA NA +C03126 L-Iduronate 2-sulfate C6H10O10S 273.9995 NA KEGG NA NA +C03127 L-Isoleucyl-tRNA(Ile) C21H32N6O11PR 273.9995 NA KEGG NA NA +C03129 Long-chain acid anion C3H4O2R 273.9995 NA KEGG NA NA +C03130 Lower primary alcohol HOR 273.9995 NA KEGG NA NA +C07644 4-Ketocyclophosphamide C7H13Cl2N2O3P 274.0041 NA KEGG NA NA +C16554 4-Ketoifosfamide C7H13Cl2N2O3P 274.0041 NA KEGG NA NA +HMDB03976 D-Glucuronic acid 1-phosphate C6H11O10P 274.00897 http://www.hmdb.ca/metabolites/HMDB03976 HMDB NA NA +HMDB03976 D-Glucuronic acid 1-phosphate C6H11O10P 274.00897 HMDB03976 PFEM_hmdb_metabocards_official NA NA +HMDB03976 D-Glucuronic acid 1-phosphate C6H11O10P 274.008972 NA HMDB2010 NA NA +MJ020636 1-Phospho-alpha-D-galacturonate C6H11O10P 274.008983 NA MeJP NA NA +MJ020637 6-Phospho-2-dehydro-D-gluconate C6H11O10P 274.008983 NA MeJP NA NA +MetaCyc02460 α-D-glucuronate 1-phosphate [glucuronate-1-P;glucuronate-1-phosphate;D-glucuronate-1-P;D-glucuronate-1-phosphate;1-phospho-α-D-glucuronate;] C6H11O10P1 274.008983 583-08-4 metacyc NA NA +MetaCyc02461 α-D-galacturonate 1-phosphate [1-phospho-α-D-galacturonate;D-galacturonate-1-P;galacturonate-1-phosphate;galacturonate-1-P;D-galacturonate 1-phosphate;] C6H11O10P1 274.008983 NA metacyc NA NA +MetaCyc02462 6-phospho-2-dehydro-D-gluconate [2-Dehydro-D-gluconate 6-phosphate;] C6H11O10P1 274.008983 NA metacyc NA NA +MetaCyc02463 3-keto-L-gulonate 6-phosphate [3-keto-L-gulonate 6-P;3-keto-L-gulonate-6-phosphate;3-dehydro-L-gulonate-6-phosphate;] C6H11O10P1 274.008983 NA metacyc NA NA +C01218 6-Phospho-2-dehydro-D-gluconate C6H11O10P 274.009 NA KEGG NA NA +C04037 1-Phospho-alpha-D-galacturonate C6H11O10P 274.009 NA KEGG NA NA +C05385 D-Glucuronate 1-phosphate C6H11O10P 274.009 NA KEGG NA NA +C14899 3-Dehydro-L-gulonate 6-phosphate C6H11O10P 274.009 NA KEGG NA NA +MJ020638 6-Bromo-1-ethyl-?-carboline C13H11BrN2 274.010561 NA MeJP NA NA +MJ020639 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 4'-Me ether, 3'-sulfate C10H10O7S 274.014723 NA MeJP NA NA +MJ020640 7-Chloro-2,3,4a,7,8,8a-hexahydro-8-hydroxy-3-methylene-2-oxo-1,4-benzodioxin-6-carboxylic acid; Me ester C11H11ClO6 274.024415 NA MeJP NA NA +MJ020641 2,2'-Thiobis[7-hydroxy-2,4,6-cycloheptatrien-1-one] C14H10O4S 274.029979 NA MeJP NA NA +FL1B99NSH001 4'-Chloro-2-hydroxyaurone C15H11ClO3 274.03967 329763-01-1 knapsack NA NA +MJ020642 2-(4-Chlorobenzyl)-2-hydroxy-3(2H)-benzofuranone C15H11ClO3 274.039671 NA MeJP NA NA +MJ020643 Furcloprofen C15H11ClO3 274.039671 NA MeJP NA NA +MJ020644 2-Phenyl-1H-benzimidazole-5-sulfonic acid C13H10N2O3S 274.041212 NA MeJP NA NA +MetaCyc02464 1-deoxy-D-altro-heptulose-7-phosphate [] C7H15O9P1 274.045369 NA metacyc NA NA +C04359 1-Deoxy-D-altro-heptulose 7-phosphate C7H15O9P 274.0454 NA KEGG NA NA +C10052 Athyriol C14H10O6 274.0477 NA KEGG NA NA +C10053 Bellidifolin C14H10O6 274.0477 NA KEGG NA NA +C10069 Isoathyriol C14H10O6 274.0477 NA KEGG NA NA +C10092 Swertianin C14H10O6 274.0477 NA KEGG NA NA +C15218 2,2',4,4'-Tetrahydroxybenzil C14H10O6 274.0477 NA KEGG NA NA +MJ020645 1,2,3,5-Tetrahydroxyxanthone; 2-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020646 1,2,3,5-Tetrahydroxyxanthone; 5-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020647 1,2,3,7-Tetrahydroxyxanthone; 2-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020648 1,2,3,8-Tetrahydroxyxanthone; 2-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020649 1,2,3,8-Tetrahydroxyxanthone; 3-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020650 1,2,4,5-Tetrahydroxyxanthone; 1-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020651 1,2,5,8-Tetrahydroxyxanthone; 1-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020652 1,2,6,8-Tetrahydroxyxanthone; 1-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020653 1,2,6,8-Tetrahydroxyxanthone; 6-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020654 1,2-Bis(2,4-dihydroxyphenyl)ethanedione C14H10O6 274.047738 NA MeJP NA NA +MJ020655 1,3,4,7-Tetrahydroxyxanthone; 3-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020656 1,3,5,6-Tetrahydroxyxanthone; 1-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020657 1,3,5,6-Tetrahydroxyxanthone; 3-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020658 1,3,5,6-Tetrahydroxyxanthone; 5-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020659 1,3,5,6-Tetrahydroxyxanthone; 6-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020660 1,3,5,7-Tetrahydroxyxanthone; 3-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020661 1,3,5,8-Tetrahydroxyxanthone; 3-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020662 1,3,5,8-Tetrahydroxyxanthone; 5-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020663 1,3,6,7-Tetrahydroxyxanthone; 3-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020664 1,3,6,7-Tetrahydroxyxanthone; 6-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020665 1,3,6,7-Tetrahydroxyxanthone; 7-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020666 1,5,6,7-Tetrahydroxyxanthone; 7-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020667 2,3,7,9-Tetrahydroxy-6H-dibenzo[b,d]pyran-6-one; 3-Me ether C14H10O6 274.047738 NA MeJP NA NA +MJ020668 2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione; 5-Hydroxy, 1'?-alcohol C14H10O6 274.047738 NA MeJP NA NA +MJ020669 3,4,6,8-Tetrahydroxy-1-methylxanthone C14H10O6 274.047738 NA MeJP NA NA +MJ020670 5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 1'-Hydroxy C14H10O6 274.047738 NA MeJP NA NA +MJ020671 5,8,10-Trihydroxy-2-methyl-2H-naphtho[2,3-b]pyran-6,9-dione C14H10O6 274.047738 NA MeJP NA NA +MJ020672 Anhydrofusarubin; O-De-Me C14H10O6 274.047738 NA MeJP NA NA +MJ020673 Dehydroaltenusin; O-De-Me C14H10O6 274.047738 NA MeJP NA NA +MJ020674 Dumortin A C14H10O6 274.047738 NA MeJP NA NA +MJ020675 Juglomycin A C14H10O6 274.047738 NA MeJP NA NA +MJ020676 Phenicin C14H10O6 274.047738 NA MeJP NA NA +MJ020677 Simonyellin C14H10O6 274.047738 NA MeJP NA NA +MJ020678 1,1,1-Trichloro-4-hydroxy-11-methyl-3,5,7,9-dodecatetraen-2-one; 1-Dechloro C13H16Cl2O2 274.052735 NA MeJP NA NA +MJ020679 2,5-Hexanediol, Dimethanesulfonate C8H18O6S2 274.054479 NA MeJP NA NA +MJ020680 4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione C18H10O3 274.062994 NA MeJP NA NA +C11188 Neburon C12H16Cl2N2O 274.064 NA KEGG NA NA +MJ020681 4'-Fluoro-4-hydroxy-3-biphenylcarboxylic acid; Ac C15H11FO4 274.064137 NA MeJP NA NA +MJ020682 3-Hydroxy-4H-pyran-4-one; O-?-D-Glucopyranoside C11H14O8 274.068867 NA MeJP NA NA +MetaCyc02465 tolcapone [tasmar;3,4-dihydroxy-4'-methyl-5-nitrobenzophenone;Ro 40-7592;] C14H12N1O5 274.071548 NA metacyc NA NA +MJ020683 1-Ethyl-4-methylsulfonyl-?-carboline C14H14N2O2S 274.077598 NA MeJP NA NA +MJ020684 5-Hydroxyuridine; 5-O-Me C10H14N2O7 274.0801 NA MeJP NA NA +JH192 Phloretin [M+H]+ C15H14O5 274.0805 17.67 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH192 Phloretin [M+H]+ C15H14O5 274.0805 17.67 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH192 Phloretin [M+H]+ C15H14O5 274.0805 17.67 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH192 Phloretin [M+H]+ C15H14O5 274.0805 17.67 Inhousejuil11 NA NA +C00774 Phloretin C15H14O5 274.0841 NA KEGG NA NA +C00775 Porphyran C15H14O5 274.0841 NA KEGG NA NA +C08929 alpha-Pyrufuran C15H14O5 274.0841 NA KEGG NA NA +C08948 beta-Pyrufuran C15H14O5 274.0841 NA KEGG NA NA +C09029 Ptaerochromenol C15H14O5 274.0841 NA KEGG NA NA +C09320 Afzelechin C15H14O5 274.0841 NA KEGG NA NA +C09735 Fisetinidol C15H14O5 274.0841 NA KEGG NA NA +C09952 Methysticin C15H14O5 274.0841 NA KEGG NA NA +C12122 Luteoliflavan C15H14O5 274.0841 NA KEGG NA NA +C12124 Apiforol C15H14O5 274.0841 NA KEGG NA NA +C12128 (-)-Epiafzelechin C15H14O5 274.0841 NA KEGG NA NA +C13767 H37 C15H14O5 274.0841 NA KEGG NA NA +C13768 Colistin sulfate C15H14O5 274.0841 NA KEGG NA NA +C16415 5-Deoxyleucopelargonidin C15H14O5 274.0841 NA KEGG NA NA +HMDB03306 Phloretin C15H14O5 274.08411 http://www.hmdb.ca/metabolites/HMDB03306 HMDB NA NA +HMDB03306 Phloretin C15H14O5 274.08411 HMDB03306 PFEM_hmdb_metabocards_official NA NA +FL1DAANS0001 Phloretin C15H14O5 274.08412 60-82-2 knapsack NA NA +FL1DHXNS0003 4,2',4',alpha-Tetrahydroxydihydrochalcone C15H14O5 274.08412 88126-55-0 knapsack NA NA +FL631CNS0001 Fisetinidol C15H14O5 274.08412 490-49-3 knapsack NA NA +FL631CNS0002 ent-Fisetinidol C15H14O5 274.08412 35079-43-7 knapsack NA NA +FL631CNS0003 ent-Epifisetinidol C15H14O5 274.08412 895-23-8 knapsack NA NA +FL63AANS0001 Afzelechin C15H14O5 274.08412 2545-00-8 knapsack NA NA +FL63AANS0002 Epiafzelechin C15H14O5 274.08412 24808-04-6 knapsack NA NA +FL63AANS0003 ent-Epiafzelechin C15H14O5 274.08412 36801-69-1 knapsack NA NA +FL64AANS0001 Apiferol;Apiforol;Leucoapigeninidin;(2S)-3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-4,5,7-triol C15H14O5 274.08412 55167-29-8 knapsack NA NA +FL6D1ANS0001 Guibourtinidol-4alpha-ol C15H14O5 274.08412 38412-82-7 knapsack NA NA +FL6D1ANS0002 Epiguibourtinidol-4alpha-ol C15H14O5 274.08412 87860-90-0 knapsack NA NA +FL6D1ANS0003 Epiguibourtinidol-4beta-ol C15H14O5 274.08412 113725-62-5 knapsack NA NA +MJ020685 1,10-Epoxy-2,4,11(13)-germacratriene-12,8;14,6-diolide C15H14O5 274.084123 NA MeJP NA NA +MJ020686 1,2,3,4-Dibenzofurantetrol; 1,2,4-Tri-Me ether C15H14O5 274.084123 NA MeJP NA NA +MJ020687 1,2,3,4-Dibenzofurantetrol; 1,3,4-Tri-Me ether C15H14O5 274.084123 NA MeJP NA NA +MJ020688 1-(2,4-Dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)-1-propanone C15H14O5 274.084123 NA MeJP NA NA +MJ020689 1-(3,5-Dihydroxyphenyl)-2-(2,3,4-trihydroxyphenyl)ethylene, 3-Me ether C15H14O5 274.084123 NA MeJP NA NA +MJ020690 1-(3,5-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, 4''-Me ether C15H14O5 274.084123 NA MeJP NA NA +MJ020691 2,3',4,6-Tetrahydroxybenzophenone; 2,4-Di-Me ether C15H14O5 274.084123 NA MeJP NA NA +MJ020692 2,3,4,5-Tetrahydroxybenzophenone; 3,4-Di-Me ether C15H14O5 274.084123 NA MeJP NA NA +MJ020693 2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 4-Me ether C15H14O5 274.084123 NA MeJP NA NA +MJ020694 2,3,4,7-Dibenzofurantetrol; 2,4,7-Tri-Me ether C15H14O5 274.084123 NA MeJP NA NA +MJ020695 2,3,4,7-Dibenzofurantetrol; 3,4,7-Tri-Me ether C15H14O5 274.084123 NA MeJP NA NA +MJ020696 2,3,6-Trihydroxybenzoic acid; 2-Me ether, benzyl ester C15H14O5 274.084123 NA MeJP NA NA +MJ020697 2,3-Dihydro-5-hydroxy-8-methoxy-2,4-dimethylnaphtho[1,2-b]furan-6,9-dione C15H14O5 274.084123 NA MeJP NA NA +MJ020698 2-(1-Hydroxy-1-methylethyl)-4-methoxyfuro[3,2-g][1]benzopyran-7-one C15H14O5 274.084123 NA MeJP NA NA +MJ020699 2-Hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylbenzoic acid C15H14O5 274.084123 NA MeJP NA NA +MJ020700 3,3',4',7-Tetrahydroxyflavan C15H14O5 274.084123 NA MeJP NA NA +MJ020701 3,3',4,4',5-Biphenylpentol; 3,4-Methylene, 4',5-di-Me ether C15H14O5 274.084123 NA MeJP NA NA +MJ020702 3,3',4,5,5'-Biphenylpentol; 3,3'-Di-Me, 4,5-methylene ether C15H14O5 274.084123 NA MeJP NA NA +MJ020703 3,4',5,7-Tetrahydroxyflavan C15H14O5 274.084123 NA MeJP NA NA +MJ020704 3,4,4',5-Tetrahydroxyflavan C15H14O5 274.084123 NA MeJP NA NA +MJ020705 3,4,4',7-Tetrahydroxyflavan C15H14O5 274.084123 NA MeJP NA NA +MJ020706 3,4-Dihydro-3,6,8,9-tetrahydroxy-3-methyl-1(2H)-anthracenone C15H14O5 274.084123 NA MeJP NA NA +MJ020707 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone C15H14O5 274.084123 NA MeJP NA NA +MJ020708 4,4',5,7-Tetrahydroxyflavan C15H14O5 274.084123 NA MeJP NA NA +MJ020709 4,5-Epoxy-1(10),7(11),8-germacratriene-12,8:15,6-diolide C15H14O5 274.084123 NA MeJP NA NA +MJ020710 4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; 4-O-Isopropyl, 9-Me ether C15H14O5 274.084123 NA MeJP NA NA +MJ020711 4-Methoxy-6-[2-(3,4-methylenedioxyphenyl)ethyl]-2H-pyran-2-one C15H14O5 274.084123 NA MeJP NA NA +MJ020712 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Methylene ether, 5-O-(3-methyl-2-butenyl) C15H14O5 274.084123 NA MeJP NA NA +MJ020713 5-Hydroxy-7-methyl-6-(2-oxopropyl)-1,4-naphthoquinone; 3-Methoxy C15H14O5 274.084123 NA MeJP NA NA +MJ020714 6,7-Dimethoxy-5-(3-oxo-1-butenyl)-2H-1-benzopyran-2-one C15H14O5 274.084123 NA MeJP NA NA +MJ020715 7,7a-Dihydro-3,6,7-trihydroxy-1a-(3-methyl-2-butenyl)naphth[2,3-b]oxiren-2(1aH)-one; 7-Ketone C15H14O5 274.084123 NA MeJP NA NA +MJ020716 7-Hydroxy-2H-1-benzopyran-2-one; O-(3-Methoxycarbonyl-2-butenyl)(E-) C15H14O5 274.084123 NA MeJP NA NA +MJ020717 7-Hydroxy-4-oxo-2,5-heptadienoic acid, O-Benzoyl, Me ester C15H14O5 274.084123 NA MeJP NA NA +MJ020718 7-Methoxy-4,9-dimethyldibenzo[b,e][1,4]dioxin-1,2-diol C15H14O5 274.084123 NA MeJP NA NA +MJ020719 Ageratone C15H14O5 274.084123 NA MeJP NA NA +MJ020720 Altholactone; Ac C15H14O5 274.084123 NA MeJP NA NA +MJ020721 Avicequinone A C15H14O5 274.084123 NA MeJP NA NA +MJ020722 Dehydrogeijerin; 2',3'-Epoxide C15H14O5 274.084123 NA MeJP NA NA +MJ020723 Epoxypiperolide C15H14O5 274.084123 NA MeJP NA NA +MJ020724 Eranthin C15H14O5 274.084123 NA MeJP NA NA +MJ020725 Fomajorin D; 13-Carboxylic acid C15H14O5 274.084123 NA MeJP NA NA +MJ020726 Goniothalamin, 5?-Acetoxy, 7S,8R-epoxide C15H14O5 274.084123 NA MeJP NA NA +MJ020727 Goniothalamin, 6-Epimer, 5?-acetoxy, 7R,8R-epoxide C15H14O5 274.084123 NA MeJP NA NA +MJ020728 Greveichromenol C15H14O5 274.084123 NA MeJP NA NA +MJ020729 Hemigossypolone C15H14O5 274.084123 NA MeJP NA NA +MJ020730 Isohemigossypolone C15H14O5 274.084123 NA MeJP NA NA +MJ020731 Isotoddalenone C15H14O5 274.084123 NA MeJP NA NA +MJ020732 Karenin C15H14O5 274.084123 NA MeJP NA NA +MJ020733 Lecanorin C15H14O5 274.084123 NA MeJP NA NA +MJ020734 Methysticin C15H14O5 274.084123 NA MeJP NA NA +MJ020735 Mikacynancholide C15H14O5 274.084123 NA MeJP NA NA +MJ020736 Miscandenin C15H14O5 274.084123 NA MeJP NA NA +MJ020737 Nectriachrysone C15H14O5 274.084123 NA MeJP NA NA +MJ020738 Obliquin, 5-Methoxy C15H14O5 274.084123 NA MeJP NA NA +MJ020739 Obliquin, 8-Methoxy C15H14O5 274.084123 NA MeJP NA NA +MJ020740 Obtusin C15H14O5 274.084123 NA MeJP NA NA +MJ020741 Panial C15H14O5 274.084123 NA MeJP NA NA +MJ020742 Ptaerochromenol C15H14O5 274.084123 NA MeJP NA NA +MJ020743 Ptaeroxylin; 1'-Hydroxy C15H14O5 274.084123 NA MeJP NA NA +MJ020744 Pyratrione C15H14O5 274.084123 NA MeJP NA NA +MJ020745 Semivioxanthin C15H14O5 274.084123 NA MeJP NA NA +MJ020746 Toddalenone C15H14O5 274.084123 NA MeJP NA NA +MJ020747 Umtatin C15H14O5 274.084123 NA MeJP NA NA +MJ020748 Wyerone acid, 11,12-Epoxide, Me ester C15H14O5 274.084123 NA MeJP NA NA +MJ020749 Yangonin; 11-Hydroxy C15H14O5 274.084123 NA MeJP NA NA +MJ020750 Yangonin; 11-Methoxy, 12-O-de-Me C15H14O5 274.084123 NA MeJP NA NA +MJ020751 ?-Lapachone; 4S,9-Dihydroxy C15H14O5 274.084123 NA MeJP NA NA +MetaCyc02466 phloretin [] C15H14O5 274.084124 NA metacyc NA NA +MetaCyc02467 afzelechin [] C15H14O5 274.084124 NA metacyc NA NA +HMDB03306 Phloretin C15H14O5 274.084137 NA HMDB2010 NA NA +MJ020752 Diphenylphosphinylacetic acid hydrazide C14H15N2O2P 274.087114 NA MeJP NA NA +MJ020753 Nortetrazepam C15H15ClN2O 274.08729 NA MeJP NA NA +C04663 5-Amino-1-ribofuranosylimidazole-4-carboxyamide C9H14N4O6 274.0913 NA KEGG NA NA +MJ020754 Dezinamide; N-Me C12H13F3N2O2 274.092912 NA MeJP NA NA +MJ020755 Caribbazoin B C14H14N2O4 274.095356 NA MeJP NA NA +MJ020756 Zometapine C14H15ClN4 274.098524 NA MeJP NA NA +MJ020757 Xylomollin C12H18O7 274.105252 NA MeJP NA NA +MJ020758 xylo-2-Hexulosonic acid, 2,3:4,6-Di-O-isopropylidene C12H18O7 274.105252 NA MeJP NA NA +MJ020759 Malassezin C18H14N2O 274.110613 NA MeJP NA NA +MJ020760 Pimprinaphine C18H14N2O 274.110613 NA MeJP NA NA +MJ020761 Palythine-serine C11H18N2O6 274.116486 NA MeJP NA NA +C10256 4,4'-Dihydroxy-3,5-dimethoxydihydrostilbene C16H18O4 274.1205 NA KEGG NA NA +MJ020762 1,3,7(11),8-Elematetraen-12,8-olid-15-oic acid; Me ester C16H18O4 274.120509 NA MeJP NA NA +MJ020763 1,4-Bis(4-hydroxyphenyl)-2,3-butanediol C16H18O4 274.120509 NA MeJP NA NA +MJ020764 1-(2,3-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane; ?-Hydroxy, 3,4'-di-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020765 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propanol; 4'-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020766 1-(2-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',4'-Di-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020767 1-(2-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',5'-Di-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020768 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethane; 3',4-Di-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020769 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethane; 3',5'-Di-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020770 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethane; 3,3'-Di-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020771 1-(3-Hydroxyphenyl)-2-(2,3,5-trihydroxyphenyl)ethane; 3,5-Di-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020772 1-(3-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Di-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020773 1-(3-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,5-Di-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020774 1-(4-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4'-Di-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020775 1-(4-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Di-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020776 1-(4-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,5-Di-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020777 1-Phenyl-2-(2,3,4,5-tetrahydroxyphenyl)ethane; 4,5-Di-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020778 2,3,8-Trihydroxy-4-isopropyl-6-methyl-1-naphthalenecarboxaldehyde; 3-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020779 2,3,9-Trihydroxy-14-cadalenal; 7-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020780 2,3,9-Trihydroxy-14-cadalenal; 8-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020781 2,3-Dihydro-6-methoxy-2,3,3,9-tetramethyl-4H-furo[3,2-c][1]benzopyran-4-one C16H18O4 274.120509 NA MeJP NA NA +MJ020782 2-Hydroxy-8-decene-4,6-diynoic acid, O-Angeloyl, Me ester C16H18O4 274.120509 NA MeJP NA NA +MJ020783 3-(1,1-Dimethyl-2-propenyl)-2-methoxy-5-methyl-4H-1-benzopyran-4-one; 1''-Hydroxy C16H18O4 274.120509 NA MeJP NA NA +MJ020784 3-(1,1-Dimethyl-2-propenyl)-4-hydroxy-8-methoxy-5-methyl-2H-1-benzopyran-2-one C16H18O4 274.120509 NA MeJP NA NA +MJ020785 3-(1,1-Dimethyl-2-propenyl)-6,7-dihydroxy-2H-1-benzopyran-2-one; Di-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020786 3-(1,1-Dimethyl-2-propenyl)-7,8-dihydroxy-2H-1-benzopyran-2-one; Di-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020787 4,8-Dihydroxy-5-methyl-3-prenylcoumarin; 8-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020788 5,7-Dihydroxy-8-prenylcoumarin; Di-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020789 5,8-Dihydroxy-2-(4-methyl-1,3-pentadienyl)-1,4-naphthoquinone; 1',2',3',4'-Tetrahydro C16H18O4 274.120509 NA MeJP NA NA +MJ020790 5-(1-Hydroxyethyl)-7-methoxybenzofuran; O-Angeloyl C16H18O4 274.120509 NA MeJP NA NA +MJ020791 7-Hydroxy-6-(3-hydroxy-3-methyl-1-butenyl)-2H-1-benzopyran-2-one, Di-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020792 8,9-Dihydro-9-ethoxy-8-(1-methylethyl)-2H-furo[2,3-h]-1-benzopyran-2-one C16H18O4 274.120509 NA MeJP NA NA +MJ020793 9-Methyllongipesin C16H18O4 274.120509 NA MeJP NA NA +MJ020794 Aspergione D; 4-Deoxy, 2?-methoxy C16H18O4 274.120509 NA MeJP NA NA +MJ020795 Aspergione D; 4-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020796 Cedrelopsin; Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020797 Flourensianol; Ac C16H18O4 274.120509 NA MeJP NA NA +MJ020798 Gleinene C16H18O4 274.120509 NA MeJP NA NA +MJ020799 Heteropeucenin; 7-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020800 Odixia acid C16H18O4 274.120509 NA MeJP NA NA +MJ020801 Ornosol C16H18O4 274.120509 NA MeJP NA NA +MJ020802 Perilloxin C16H18O4 274.120509 NA MeJP NA NA +MJ020803 Peucenin; 7-Me ether C16H18O4 274.120509 NA MeJP NA NA +MJ020804 Pinnarin C16H18O4 274.120509 NA MeJP NA NA +MJ020805 Pinnaterin C16H18O4 274.120509 NA MeJP NA NA +MJ020806 Strobilurin A; 8-Hydroxy C16H18O4 274.120509 NA MeJP NA NA +MJ020807 Toddaculin C16H18O4 274.120509 NA MeJP NA NA +MJ020808 Vallapin C16H18O4 274.120509 NA MeJP NA NA +MJ020809 Chlorphenamine C16H19ClN2 274.123676 NA MeJP NA NA +MJ020810 Tepirindole C16H19ClN2 274.123676 NA MeJP NA NA +HMDB01944 Chlorpheniramine C16H19ClN2 274.123688 NA HMDB2010 NA NA +HMDB01944 Chlorpheniramine C16H19ClN2 274.12369 http://www.hmdb.ca/metabolites/HMDB01944 HMDB NA NA +HMDB01944 Chlorpheniramine C16H19ClN2 274.12369 HMDB01944 PFEM_hmdb_metabocards_official NA NA +C06905 Chlorpheniramine C16H19ClN2 274.1237 NA KEGG NA NA +C06946 Dexchlorpheniramine C16H19ClN2 274.1237 NA KEGG NA NA +C03296 N2-Succinyl-L-arginine C10H18N4O5 274.1277 NA KEGG NA NA +C03297 N3-Acetylgentamicin C C21H39N5O8 274.1277 NA KEGG NA NA +PJ000138 QQ C10H18N4O5 274.1277 NA PeJP NA NA +MJ020811 N2-Succinyl-L-arginine C10H18N4O5 274.127719 NA MeJP NA NA +MJ020812 Arginine, N2-(3-Carboxypropanoyl) C10H18N4O5 274.127719 NA MeJP NA NA +MetaCyc02468 N2-succinyl-L-arginine [N2-succinylarginine;] C10H18N4O5 274.12772 1758-80-1 metacyc NA NA +MetaCyc02469 ala-gly-ala-gly [] C10H18N4O5 274.12772 NA metacyc NA NA +MJ020813 Terbequinil C15H18N2O3 274.131742 NA MeJP NA NA +MJ020814 Terezine A C15H18N2O3 274.131742 NA MeJP NA NA +MJ020815 Tomaymycin; 11-Demethoxy C15H18N2O3 274.131742 NA MeJP NA NA +MJ020816 Mexafylline C14H18N4O2 274.142975 NA MeJP NA NA +MJ020817 Ormetoprim C14H18N4O2 274.142975 NA MeJP NA NA +MJ020818 11-Isopropyl-5-methyl-5H-indolo[3,2-b]quinoline C19H18N2 274.146998 NA MeJP NA NA +MJ020819 Dihydrogambirtannine, Des(carbomethoxy) C19H18N2 274.146998 NA MeJP NA NA +7680 ACE inhibitor from pea vicilin QK 274.152 antioxidative Inhouse_peptide NA peptide +MJ020820 1,2:9,10-Diepoxy-4,6-heptadecadiyn-3-one C17H22O3 274.156894 NA MeJP NA NA +MJ020821 1,8-Pentadecadiene-4,6-diyne-3,10-diol; 10-Ac C17H22O3 274.156894 NA MeJP NA NA +MJ020822 1,9-Pentadecadiene-4,6-diyne-3,8-diol, 8-Ac C17H22O3 274.156894 NA MeJP NA NA +MJ020823 12,13-Dihydroxy-8,11,13-podocarpatrien-7-one C17H22O3 274.156894 NA MeJP NA NA +MJ020824 12-Hydroxy-4-jungistueben-3-one; Ac C17H22O3 274.156894 NA MeJP NA NA +MJ020825 13,14-Dihydroxy-8,11,13-podocarpatrien-7-one C17H22O3 274.156894 NA MeJP NA NA +MJ020826 13-Hydroxy-8,11,13-podocarpatrien-18-oic acid C17H22O3 274.156894 NA MeJP NA NA +MJ020827 2,9-Pentadecadiene-4,6-diyne-1,8-diol, 1-Ac C17H22O3 274.156894 NA MeJP NA NA +MJ020828 2-Alkyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furans; 2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan C17H22O3 274.156894 NA MeJP NA NA +MJ020829 2-Bornanol, O-4-Hydroxybenzoyl C17H22O3 274.156894 NA MeJP NA NA +MJ020830 3,8-Calamenenediol, 8-Ketone, 3-Ac C17H22O3 274.156894 NA MeJP NA NA +MJ020831 3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxybenzoic acid C17H22O3 274.156894 NA MeJP NA NA +MJ020832 3-Hydroxy-8,15-heptadecadiene-11,13-diynoic acid C17H22O3 274.156894 NA MeJP NA NA +MJ020833 4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid C17H22O3 274.156894 NA MeJP NA NA +MJ020834 6-Hydroxy-1(10),7,11-eremophilatrien-9-one, Ac C17H22O3 274.156894 NA MeJP NA NA +MJ020835 6-Hydroxy-7-methoxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran C17H22O3 274.156894 NA MeJP NA NA +MJ020836 6-Methoxy-2-(3,7-dimethyl-2,6-octadienyl)-1,4-benzoquinone C17H22O3 274.156894 NA MeJP NA NA +MJ020837 8,11,13-Podocarpatriene-12,19-diol; 19-Carboxylic acid C17H22O3 274.156894 NA MeJP NA NA +MJ020838 8,12-Epoxy-1(10),4,7,11-germacratetraen-15-ol, Ac C17H22O3 274.156894 NA MeJP NA NA +MJ020839 8,12-Epoxy-1(10),4,7,11-germacratetraen-2-ol, Ac C17H22O3 274.156894 NA MeJP NA NA +MJ020840 Carbestrol C17H22O3 274.156894 NA MeJP NA NA +MJ020841 Furanoeudesm-3-en-1-ol, Ac C17H22O3 274.156894 NA MeJP NA NA +MJ020842 Furanoeudesm-4(15)-en-1-ol, Ac C17H22O3 274.156894 NA MeJP NA NA +MJ020843 Furanoeudesm-4(15)-en-3-ol, Ac C17H22O3 274.156894 NA MeJP NA NA +MJ020844 Furodysin, 8?-Acetoxy C17H22O3 274.156894 NA MeJP NA NA +MJ020845 Furodysin, 8?-Acetoxy C17H22O3 274.156894 NA MeJP NA NA +MJ020846 Furodysinin, 8?-Acetoxy C17H22O3 274.156894 NA MeJP NA NA +MJ020847 Furodysinin, 8?-Acetoxy C17H22O3 274.156894 NA MeJP NA NA +MJ020848 Nakafuran 8; 5?-Acetoxy C17H22O3 274.156894 NA MeJP NA NA +MJ020849 Pterosin Z; Ac C17H22O3 274.156894 NA MeJP NA NA +MJ020850 Shogaol; 1,2-Didehydro C17H22O3 274.156894 NA MeJP NA NA +C09171 Podocarpic acid C17H22O3 274.1569 NA KEGG NA NA +C14660 Carbestrol C17H22O3 274.1569 NA KEGG NA NA +C18131 Geranyl-hydroxybenzoate C17H22O3 274.1569 NA KEGG NA NA +PJ000139 QK C11H22N4O4 274.1641 NA PeJP NA NA +MJ020851 2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form, Diketone, 2',3'-didehydro C16H22N2O2 274.168127 NA MeJP NA NA +MJ020852 2-Hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3-methylpentanamide C16H22N2O2 274.168127 NA MeJP NA NA +MJ020853 Isamoltan C16H22N2O2 274.168127 NA MeJP NA NA +MJ020854 1,2,3,4-Tetrahydro-3,3,7-trimethylchrysene C21H22 274.17215 NA MeJP NA NA +MJ020855 12,18-Heneicosadiene-1,3,8,10,20-pentayne, 3,4-Dihydro (Z-) C21H22 274.17215 NA MeJP NA NA +MJ020856 2,17-Dimethyl-18,19-dinorpregna-1,3,5,7,9,11,13-heptaene C21H22 274.17215 NA MeJP NA NA +MJ020857 3,17-Dimethyl-18,19-dinorpregna-1,3,5,7,9,11,13-heptaene C21H22 274.17215 NA MeJP NA NA +MJ020858 6,17-Dimethyl-18,19-dinorpregna-1,3,5,7,9,11,13-heptaene C21H22 274.17215 NA MeJP NA NA +MJ020859 Des-A-26,27,28-trisnorursa-5,7,9,11,13,15,17-heptaene C21H22 274.17215 NA MeJP NA NA +HMDB00394 3-Hydroxytetradecanedioic acid C14H26O5 274.178009 NA HMDB2010 NA NA +HMDB00394 3-Hydroxytetradecanedioic acid C14H26O5 274.17801 http://www.hmdb.ca/metabolites/HMDB00394 HMDB NA NA +HMDB00394 3-Hydroxytetradecanedioic acid C14H26O5 274.17801 HMDB00394 PFEM_hmdb_metabocards_official NA NA +3751 NA KK 274.188 ACE inhibitor Inhouse_peptide NA peptide +MJ020860 Hydrostatin A C13H26N2O4 274.189257 NA MeJP NA NA +MJ020861 Nisobamate C13H26N2O4 274.189257 NA MeJP NA NA +MJ020862 Tybamate C13H26N2O4 274.189257 NA MeJP NA NA +MJ020863 Valinoctin; Valinoctin A C13H26N2O4 274.189257 NA MeJP NA NA +HMDB02725 Nandrolone C18H26O2 274.193268 NA HMDB2010 NA NA +HMDB02725 Nandrolone C18H26O2 274.19327 http://www.hmdb.ca/metabolites/HMDB02725 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02725 Nandrolone C18H26O2 274.19327 http://www.hmdb.ca/metabolites/HMDB02725 HMDB NA NA +HMDB02725 Nandrolone C18H26O2 274.19327 http://www.hmdb.ca/metabolites/HMDB02725 PFEM_hmdb_metabocards_blood NA blood +HMDB02725 Nandrolone C18H26O2 274.19327 HMDB02725 PFEM_hmdb_metabocards_official NA NA +MJ020864 1-Phenyl-1,3-dodecanedione C18H26O2 274.19328 NA MeJP NA NA +MJ020865 10,14,16-Octadecatrien-12-ynoic acid C18H26O2 274.19328 NA MeJP NA NA +MJ020866 12-Octadecene-8,10-diynoic acid C18H26O2 274.19328 NA MeJP NA NA +MJ020867 13-Octadecene-9,11-diynoic acid C18H26O2 274.19328 NA MeJP NA NA +MJ020868 17-Hydroxyestr-4-en-3-one; 17?-form C18H26O2 274.19328 NA MeJP NA NA +MJ020869 17-Octadecene-9,11-diynoic acid C18H26O2 274.19328 NA MeJP NA NA +MJ020870 2,9-Octadecadiene-4,6-diyne-1,18-diol C18H26O2 274.19328 NA MeJP NA NA +MJ020871 2-(3,7-Dimethyl-2,6-octadienyl)-6-methyl-1,4-benzenediol, 1-Me ether C18H26O2 274.19328 NA MeJP NA NA +MJ020872 2-(3,7-Dimethyl-2,6-octadienyl)-6-methyl-1,4-benzenediol, 4-Me ether C18H26O2 274.19328 NA MeJP NA NA +MJ020873 3,6,9,12,15-Octadecapentaenoic acid C18H26O2 274.19328 NA MeJP NA NA +MJ020874 5-Octadecene-7,9-diynoic acid C18H26O2 274.19328 NA MeJP NA NA +MJ020875 7,9,12-Octadecatrien-5-ynoic acid C18H26O2 274.19328 NA MeJP NA NA +MJ020876 8,11,13-Podocarpatriene-12,13-diol; 12-Me ether C18H26O2 274.19328 NA MeJP NA NA +MJ020877 8,11,13-Podocarpatriene-12,13-diol; 13-Me ether C18H26O2 274.19328 NA MeJP NA NA +MJ020878 8,11,13-Podocarpatriene-13,14-diol; 13-Me ether C18H26O2 274.19328 NA MeJP NA NA +MJ020879 9,12,15-Octadecatrien-6-ynoic acid C18H26O2 274.19328 NA MeJP NA NA +MJ020880 9,17-Octadecadiene-12,14-diyne-1,16-diol C18H26O2 274.19328 NA MeJP NA NA +MJ020881 Tanzawaic acid C; 1-Deoxy C18H26O2 274.19328 NA MeJP NA NA +C07254 Nandrolone C18H26O2 274.1933 NA KEGG NA NA +C10903 Cinmethylin C18H26O2 274.1933 NA KEGG NA NA +C15257 17beta-Hydroxyestr-5(10)-en-3-one C18H26O2 274.1933 NA KEGG NA NA +PJ000140 KK C12H26N4O3 274.2005 NA PeJP NA NA +C07532 Ropivacaine C17H26N2O 274.2045 NA KEGG NA NA +C09889 alpha-Obscurine C17H26N2O 274.2045 NA KEGG NA NA +C09895 Sauroxine C17H26N2O 274.2045 NA KEGG NA NA +MJ020882 3-(2-Pyrrolidinyl)pyridine, N-Octanoyl C17H26N2O 274.204513 NA MeJP NA NA +MJ020883 ?-Obscurine; Natural-form, 12-Epimer, 2,3-dihydro C17H26N2O 274.204513 NA MeJP NA NA +MJ020884 ?-Obscurine; Natural-form, 2,3-Dihydro C17H26N2O 274.204513 NA MeJP NA NA +MJ020885 Phenampromide C17H26N2O 274.204513 NA MeJP NA NA +MJ020886 Ropivacaine C17H26N2O 274.204513 NA MeJP NA NA +C13854 1-Dodecanoyl-sn-glycerol C15H30O4 274.2144 NA KEGG NA NA +C13855 Transferred to D02148 C15H30O4 274.2144 NA KEGG NA NA +MJ020887 Glycerol 1-alkanoates; Glycerol 1-dodecanoate C15H30O4 274.214409 NA MeJP NA NA +MJ020888 17-Nor-16-kauranone; ent-form C19H30O 274.229665 NA MeJP NA NA +MJ020889 18-Nor-7,15-isopimaradien-4-ol; 4?-form C19H30O 274.229665 NA MeJP NA NA +MJ020890 18-Nor-8(14),15-isopimaradien-4-ol C19H30O 274.229665 NA MeJP NA NA +MJ020891 18-Nor-8(14),15-pimaradien-4-ol C19H30O 274.229665 NA MeJP NA NA +MJ020892 19-Nor-16-kauren-4-ol; ent-form C19H30O 274.229665 NA MeJP NA NA +MJ020893 19-Nor-7,13-abietadien-4-ol C19H30O 274.229665 NA MeJP NA NA +MJ020894 3,7-Diethyl-9-phenyl-2-nonanone C19H30O 274.229665 NA MeJP NA NA +MJ020895 3-Tridecylphenol; 8',9'-Didehydro (Z-) C19H30O 274.229665 NA MeJP NA NA +MJ020896 Androst-16-en-3-ol C19H30O 274.229665 NA MeJP NA NA +MJ020897 Pachyaldehyde C19H30O 274.229665 NA MeJP NA NA +HMDB05935 Androstenol C19H30O 274.229675 NA HMDB2010 NA NA +HMDB05935 Androstenol C19H30O 274.22968 http://www.hmdb.ca/metabolites/HMDB05935 HMDB NA NA +HMDB06571 3a-Hydroxyandrost-16-ene C19H30O 274.22968 http://www.hmdb.ca/metabolites/HMDB06571 HMDB NA NA +HMDB05935 Androstenol C19H30O 274.22968 HMDB05935 PFEM_hmdb_metabocards_official NA NA +HMDB06571 3a-Hydroxyandrost-16-ene C19H30O 274.22968 HMDB06571 PFEM_hmdb_metabocards_official NA NA +C01876 3-Oxosteroid C19H30O 274.2297 NA KEGG NA NA +C01881 7-Oxosteroid C19H30O 274.2297 NA KEGG NA NA +C02797 3-Oxo-5beta-steroid C19H30O 274.2297 NA KEGG NA NA +C02940 3-Oxo-5alpha-steroid C19H30O 274.2297 NA KEGG NA NA +C03836 3beta-Hydroxy-delta5-steroid C19H30O 274.2297 NA KEGG NA NA +C15298 5alpha-Androstan-2-en-17beta-ol C19H30O 274.2297 NA KEGG NA NA +C13948 16-Fluorohexadecanoic acid C16H31FO2 274.2308 NA KEGG NA NA +MJ020898 16-Fluorohexadecanoic acid C16H31FO2 274.230808 NA MeJP NA NA +EUR514 12-HPETE F3 F3 274.230925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR514 12-HPETE F3 NA 274.230925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR514 12-HPETE F3 F3 274.230925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR514 12-HPETE F3 NA 274.230925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR514 12-HPETE F3 F3 274.230925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR514 12-HPETE F3 NA 274.230925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR514 12-HPETE F3 F3 274.230925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR514 12-HPETE F3 F3 274.230925 standards wishlist analysés sur QTOF HMDB NA NA +EUR514 12-HPETE F3 F3 274.230925 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR514 12-HPETE F3 NA 274.230925 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR514 12-HPETE F3 F3 274.230925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR514 12-HPETE F3 F3 274.230925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ020899 3-Tridecyloxy-1,2-propanediol C16H34O3 274.250794 NA MeJP NA NA +MJ020900 2,6,11,15-Tetramethyl-2,6,10,14-hexadecatetraene C20H34 274.266051 NA MeJP NA NA +MJ020901 Isodigeranyl C20H34 274.266051 NA MeJP NA NA +MJ020902 Kaurane C20H34 274.266051 NA MeJP NA NA +MJ020903 Gibberellin 20 C20H34 274.266051 NA MeJP NA NA +EUR305 glutathione oxidized F7 F7 274.560375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR305 Gluthation oxyde F7 NA 274.560375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR305 glutathione oxidized F7 F7 274.560375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR305 Gluthation oxyde F7 NA 274.560375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR305 glutathione oxidized F7 F7 274.560375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR305 Gluthation oxyde F7 NA 274.560375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR305 glutathione oxidized F7 F7 274.560375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR305 glutathione oxidized F7 F7 274.560375 standards wishlist analysés sur QTOF HMDB NA NA +EUR305 glutathione oxidized F7 F7 274.560375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR305 Gluthation oxyde F7 NA 274.560375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR305 glutathione oxidized F7 F7 274.560375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR305 glutathione oxidized F7 F7 274.560375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +3789 NA YPASL 274.634 MH2+ Inhouse_peptide NA peptide +7801 ACE inhibitor from as2-casein VRYL 274.658 MH2+ Inhouse_peptide NA peptide +C04178 Bromoxynil C7H3Br2NO 274.8581 NA KEGG NA NA +C04180 cis-3-Decenoyl-[acyl-carrier protein] C10H17OSR 274.8581 NA KEGG NA NA +MetaCyc02470 3,5-dibromo-4-hydroxybenzonitrile [] C7H3N1O1BR2 274.858139 1689-84-5 metacyc NA NA +MJ020904 Licostinel C8H3Cl2N3O4 274.950061 NA MeJP NA NA +C03900 S-(4-Bromophenyl)-L-cysteine C9H10BrNO2S 274.9616 NA KEGG NA NA +MJ020905 (3-Amino-4-hydroxyphenyl)arsonic acid; N-Ac C8H10AsNO5 274.977493 NA MeJP NA NA +MJ020906 1,2-Benzisoselenazol-3(2H)-one; N-Ph C13H9NOSe 274.984935 NA MeJP NA NA +MJ020907 Iobenguane C8H10IN3 274.99194 NA MeJP NA NA +MJ020908 2-Bromo-N-(2-chloroethyl)-N-ethylbenzenemethanamine C11H15BrClN 275.007639 NA MeJP NA NA +MJ020909 Antibiotic Sch 29428 C10H13NO4S2 275.028599 NA MeJP NA NA +MJ020910 Meticrane C10H13NO4S2 275.028599 NA MeJP NA NA +MJ020911 Tiprotimod C10H13NO4S2 275.028599 NA MeJP NA NA +C12022 Phosphophosphinate C6H15NO7P2 275.0324 NA KEGG NA NA +C17718 Sulfamethoxazole sodium C10H10N3O3S 275.0341 NA KEGG NA NA +MetaCyc02471 L-tyrosine methyl ester 4-sulfate [] C10H13N1O6S1 275.046358 NA metacyc NA NA +C04201 L-Tyrosine methyl ester 4-sulfate C10H13NO6S 275.0464 NA KEGG NA NA +C04202 Long-chain-fatty-acyl ethyl ester C3H5O2R 275.0464 NA KEGG NA NA +MJ020912 Nifuroxazide C12H9N3O5 275.05422 NA MeJP NA NA +MJ020913 Paraoxon C10H14NO6P 275.055873 NA MeJP NA NA +MetaCyc02472 paraoxon [O,O-diethyl-O-p-nitrophenylphosphoric acid;diethyl-p-nitrophenyl phosphate;phosphoric acid diethyl 4-nitrophenyl ester;diethyl paraoxon;] C10H14N1O6P1 275.055874 311-45-5 metacyc NA NA +C06606 Paraoxon C10H14NO6P 275.0559 NA KEGG NA NA +C09567 Liriodenine C17H9NO3 275.0582 NA KEGG NA NA +MJ020914 Liriodenine C17H9NO3 275.058243 NA MeJP NA NA +C11107 3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole C10H13NO8 275.0641 NA KEGG NA NA +MJ020915 Furalazine; 3-N-Ac C11H9N5O4 275.065453 NA MeJP NA NA +EUR281 Neopterine F2 F2 275.069475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR281 Neopterine F2 NA 275.069475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR281 Neopterine F2 F2 275.069475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR281 Neopterine F2 NA 275.069475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR281 Neopterine F2 F2 275.069475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR281 Neopterine F2 NA 275.069475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR281 Neopterine F2 F2 275.069475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR281 Néoptérine F2 F2 275.069475 standards wishlist analysés sur QTOF HMDB NA NA +EUR281 Neopterine F2 F2 275.069475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR281 Neopterine F2 NA 275.069475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR281 Neopterine F2 F2 275.069475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR281 Neopterine F2 F2 275.069475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ020916 Collismycin C13H13N3O2S 275.072847 NA MeJP NA NA +MJ020917 1,3a,4,8b-Tetrahydro-3a,8b-dihydroxy-2-methyl-4-oxoindeno[1,2-b]pyrrole-3-carboxylic acid, Me ester C14H13NO5 275.079372 NA MeJP NA NA +MJ020918 4-Hydroxy-2,3-quinolinedicarboxylic acid; NH-form, N-Me, di-Me ester C14H13NO5 275.079372 NA MeJP NA NA +MJ020919 Renierol; O-Ac C14H13NO5 275.079372 NA MeJP NA NA +MJ020920 Tipepidine C15H17NS2 275.08024 NA MeJP NA NA +MJ020921 Metronidazole; Benzoyl C13H13N3O4 275.090605 NA MeJP NA NA +PJ000141 GPC C10H17N3O4S 275.094 NA PeJP NA NA +MJ020922 Dehydroroemerine; 4,5-Didehydro C18H13NO2 275.094628 NA MeJP NA NA +MJ020923 Ibafloxacin C15H14FNO3 275.095771 NA MeJP NA NA +C08328 Cardiospermin C11H17NO7 275.1005 NA KEGG NA NA +C08340 Sarmentosin C11H17NO7 275.1005 NA KEGG NA NA +MJ020924 2,4-Dihydroxy-3-methylenebutanoic acid, Nitrile, 2-O-?-D-glucopyranoside C11H17NO7 275.100501 NA MeJP NA NA +MJ020925 4-Hydroxy-2-(hydroxymethyl)-2-butenoic acid, Nitrile, 4-O-?-D-glucopyranoside C11H17NO7 275.100501 NA MeJP NA NA +MJ020926 4-Hydroxy-3-hydroxymethyl-2-butenoic acid; Nitrile(E-), O-?-D-glucopyranoside C11H17NO7 275.100501 NA MeJP NA NA +MJ020927 4-Hydroxy-3-hydroxymethyl-2-butenoic acid; Nitrile(Z-), O-?-D-glucopyranoside C11H17NO7 275.100501 NA MeJP NA NA +MJ020928 4-Hydroxy-3-methyl-2-butenoic acid, 2S,3R-Epoxide, O-?-D-glucopyranoside, nitrile C11H17NO7 275.100501 NA MeJP NA NA +MJ020929 Jatropham, O-?-D-Glucopyranoside C11H17NO7 275.100501 NA MeJP NA NA +MJ020930 Mycosporin 1, 9-Carboxylic acid C11H17NO7 275.100501 NA MeJP NA NA +HMDB01786 Ethenodeoxyadenosine C12H13N5O3 275.101837 NA HMDB2010 NA NA +MJ020931 Sangivamycic acid; 5'-Deoxy, nitrile C12H13N5O3 275.101839 NA MeJP NA NA +HMDB01786 Ethenodeoxyadenosine C12H13N5O3 275.10184 http://www.hmdb.ca/metabolites/HMDB01786 HMDB NA NA +HMDB01786 Ethenodeoxyadenosine C12H13N5O3 275.10184 HMDB01786 PFEM_hmdb_metabocards_official NA NA +C05283 (5-L-Glutamyl)-L-glutamine C10H17N3O6 275.1117 NA KEGG NA NA +C18048 N-Succinyl-L-citrulline C10H17N3O6 275.1117 NA KEGG NA NA +C18049 N-Acyl-L-homoserine lactone C5H6NO3R 275.1117 NA KEGG NA NA +PJ000142 QE C10H17N3O6 275.1117 NA PeJP NA NA +HMDB05766 Norophthalmic acid C10H17N3O6 275.11172 http://www.hmdb.ca/metabolites/HMDB05766 HMDB NA NA +HMDB05766 Norophthalmic acid C10H17N3O6 275.11172 HMDB05766 PFEM_hmdb_metabocards_official NA NA +HMDB05766 Norophthalmic acid C10H17N3O6 275.111725 NA HMDB2010 NA NA +HMDB11738 Gamma-Glutamylglutamine C10H17N3O6 275.111725 NA HMDB2010 NA NA +MJ020932 ?-Glutamylalanylglycine; L-L-form C10H17N3O6 275.111735 NA MeJP NA NA +PJ000143 GAE C10H17N3O6 275.1118 NA PeJP NA NA +MJ020933 1-(4,5-Methylenedioxy-2-methoxycinnamoyl)pyrrolidine C15H17NO4 275.115758 NA MeJP NA NA +MJ020934 2-Methoxy-4,5-methylenedioxycinnamic acid, Pyrrolidide C15H17NO4 275.115758 NA MeJP NA NA +MJ020935 2-Piperidinecarboxylic acid, N-(4-Hydroxycinnamoyl)(E-) C15H17NO4 275.115758 NA MeJP NA NA +MJ020936 3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3,4-Methylene, 5-Me ether, pyrrolidide C15H17NO4 275.115758 NA MeJP NA NA +MJ020937 Actiphenol C15H17NO4 275.115758 NA MeJP NA NA +MJ020938 Dubinidine C15H17NO4 275.115758 NA MeJP NA NA +MJ020939 Fusarochromanone; 3'-Deamino, 2',3'-didehydro C15H17NO4 275.115758 NA MeJP NA NA +MJ020940 Isoplatydesmine, 2'-Hydroxy C15H17NO4 275.115758 NA MeJP NA NA +MJ020941 Myrtopsine C15H17NO4 275.115758 NA MeJP NA NA +MJ020942 Obscurolide A3; 1''-Aldehyde C15H17NO4 275.115758 NA MeJP NA NA +MJ020943 Obscurolide B3; 5-Epimer, 7-aldehyde C15H17NO4 275.115758 NA MeJP NA NA +MJ020944 Obscurolide B3; 7'-Aldehyde C15H17NO4 275.115758 NA MeJP NA NA +MJ020945 Obscurolide D2 C15H17NO4 275.115758 NA MeJP NA NA +MJ020946 Ribaline C15H17NO4 275.115758 NA MeJP NA NA +MJ020947 Ribalinine, 7-Hydroxy C15H17NO4 275.115758 NA MeJP NA NA +C10662 Dubinidine C15H17NO4 275.1158 NA KEGG NA NA +4007 NA WA 275.116 antifungal Inhouse_peptide NA peptide +7543 ACE inhibitor AW 275.116 antioxidative Inhouse_peptide NA peptide +7670 ACE inhibitor from k-CN (76-80) PNSHP 275.11845 MH2+ Inhouse_peptide NA peptide +HMDB13209 Alanyltryptophan C14H17N3O3 275.126984 NA HMDB2010 NA NA +MJ020948 Methyl [3-[2-(acetylamino)ethyl]-1H-indol-5-yl]carbamate C14H17N3O3 275.126991 NA MeJP NA NA +PJ000144 AW C14H17N3O3 275.127 NA PeJP NA NA +7840 ACE inhibitor EK 275.136 immunomodulating Inhouse_peptide NA peptide +7841 ACE inhibitor KE 275.136 immunomodulating Inhouse_peptide NA peptide +HMDB13130 Glutarylcarnitine C12H21NO6 275.136902 NA HMDB2010 NA NA +MJ020949 1-Isothiocyanato-11-(methylthio)undecane; S-Oxide C13H25NOS2 275.137755 NA MeJP NA NA +MJ020950 Aditeren C13H17N5O2 275.138224 NA MeJP NA NA +MJ020951 Cipamfylline C13H17N5O2 275.138224 NA MeJP NA NA +MJ020952 Meturedepa C11H22N3O3P 275.139878 NA MeJP NA NA +MJ020953 2-Amino-N-ethyl-N-(2-phenylethyl)-5-thiazoleethanamine C15H21N3S 275.145618 NA MeJP NA NA +PJ000145 KE C11H21N3O5 275.1481 NA PeJP NA NA +MJ020954 N6-?-Glutamyllysine; L-L-form C11H21N3O5 275.14812 NA MeJP NA NA +HMDB03869 epsilon-(gamma-Glutamyl)-lysine C11H21N3O5 275.14813 http://www.hmdb.ca/metabolites/HMDB03869 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03869 epsilon-(gamma-Glutamyl)-lysine C11H21N3O5 275.14813 http://www.hmdb.ca/metabolites/HMDB03869 HMDB NA NA +HMDB04207 L-alpha-glutamyl-L-Lysine C11H21N3O5 275.14813 http://www.hmdb.ca/metabolites/HMDB04207 HMDB NA NA +HMDB03869 Epsilon-(gamma-Glutamyl)-lysine C11H21N3O5 275.14813 Tripeptides ;SYN:Protirelin; Protirelin (JP15/USAN); Relefact TRH (TN); TRF; TRH; Thyroliberin; Thyrotropin releasing hormone; Thyrotropin-releasing factor; Thyrotropin-releasing factor (8CI); (Pyro)-L-glutamic acid-L-histidine-L-proline-NH2; L-Pyroglutamyl-L-histidyl-L-prolinamide; L-Pyroglutamyl-L-histidyl-L-proline amide; Lopremone; Prem; Relefact TRH; Rifathyroin; Rifotironin; Stimu TSH; Synthetic TRF; Synthetic TRH; Synthetic TSH-releasing factor; Synthetic TSH-releasing hormone; Synthetic thyrotropin-releasing factor; Synthetic thyrotropin-releasing hormone; TSH-RF; TSH-releasing factor; TSH-releasing hormone; Thypinone; Thyrefact; Thyroid releasing hormone; Thyroid-stimulating hormone-releasing factor; Thyrotropic hormone-releasing factor; Thyrotropic hormone-releasing hormone; Thyrotropic releasing hormone; Thyrotropic-releasing factor; Thyrotropin-releasing hormoneH2Blood; Urine Inhouse_peptide NA peptide +HMDB03869 epsilon-(gamma-Glutamyl)-lysine C11H21N3O5 275.14813 http://www.hmdb.ca/metabolites/HMDB03869 PFEM_hmdb_metabocards_blood NA blood +HMDB03869 epsilon-(gamma-Glutamyl)-lysine C11H21N3O5 275.14813 HMDB03869 PFEM_hmdb_metabocards_official NA NA +HMDB04207 L-alpha-glutamyl-L-Lysine C11H21N3O5 275.14813 HMDB04207 PFEM_hmdb_metabocards_official NA NA +HMDB03869 Epsilon-(gamma-Glutamyl)-lysine C11H21N3O5 275.148132 NA HMDB2010 NA NA +HMDB04207 L-a-glutamyl-L-Lysine C11H21N3O5 275.148132 NA HMDB2010 NA NA +2661 synthetic fr, of human beta-CN (139-143) ACE inhibitor PQPIP 275.149 MH2+ Inhouse_peptide NA peptide +C07814 Homatropine C16H21NO3 275.1521 NA KEGG NA NA +C09852 Annotine C16H21NO3 275.1521 NA KEGG NA NA +C09855 Annotinine C16H21NO3 275.1521 NA KEGG NA NA +C10862 Norhyoscyamine C16H21NO3 275.1521 NA KEGG NA NA +C12234 Epinorlycoramine C16H21NO3 275.1521 NA KEGG NA NA +C13682 Dihydro-beta-erythroidine C16H21NO3 275.1521 NA KEGG NA NA +MJ020955 1-Hydroxy-7-methylpyrrolizidine, O-(4-Methoxybenzoyl) C16H21NO3 275.152143 NA MeJP NA NA +MJ020956 3-Heptyl-3-hydroxy-2,4(1H,3H)-quinolinedione C16H21NO3 275.152143 NA MeJP NA NA +MJ020957 7-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-Phenylacetyl C16H21NO3 275.152143 NA MeJP NA NA +MJ020958 7-Hydroxy-1-hydroxymethylpyrrolizidine, O7-Phenylacetyl C16H21NO3 275.152143 NA MeJP NA NA +MJ020959 8-Hydroxy-3-oxo-1,7(11)-eremophiladien-12,8-lactam; 8à OH-form, Me ether C16H21NO3 275.152143 NA MeJP NA NA +MJ020960 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(3-Hydroxyphenylacetyl) C16H21NO3 275.152143 NA MeJP NA NA +MJ020961 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(4-Hydroxyphenylacetyl) C16H21NO3 275.152143 NA MeJP NA NA +MJ020962 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(4-Methoxybenzoyl) C16H21NO3 275.152143 NA MeJP NA NA +MJ020963 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Phenylacetyl C16H21NO3 275.152143 NA MeJP NA NA +MJ020964 ?-Erythroidine; 1,2,6,7-Tetrahydro, 1,6-didehydro C16H21NO3 275.152143 NA MeJP NA NA +MJ020965 Annotine C16H21NO3 275.152143 NA MeJP NA NA +MJ020966 Annotinine C16H21NO3 275.152143 NA MeJP NA NA +MJ020967 Fastudine C16H21NO3 275.152143 NA MeJP NA NA +MJ020968 Galanthamine, 1,2-Dihydro, N-de-Me C16H21NO3 275.152143 NA MeJP NA NA +MJ020969 Galanthamine, 1,2-Dihydro, O-de-Me C16H21NO3 275.152143 NA MeJP NA NA +MJ020970 Galanthamine, 3-Epimer, 1,2-dihydro, N-de-Me C16H21NO3 275.152143 NA MeJP NA NA +MJ020971 Homatropine C16H21NO3 275.152143 NA MeJP NA NA +MJ020972 Huperzine P C16H21NO3 275.152143 NA MeJP NA NA +MJ020973 Isoelaeocarpicine C16H21NO3 275.152143 NA MeJP NA NA +MJ020974 Isophellibiline C16H21NO3 275.152143 NA MeJP NA NA +MJ020975 Lasubine I; 2-Ketone, O3'-de-Me C16H21NO3 275.152143 NA MeJP NA NA +MJ020976 Lycopodium Base VIII C16H21NO3 275.152143 NA MeJP NA NA +MJ020977 Maritidine, 1,2-Dihydro, O8-de-Me C16H21NO3 275.152143 NA MeJP NA NA +MJ020978 Maritidine, 3-Epimer, 1,2-dihydro, O8-de-Me C16H21NO3 275.152143 NA MeJP NA NA +MJ020979 Mesembrenol; N-De-Me C16H21NO3 275.152143 NA MeJP NA NA +MJ020980 Mesembrenol; O4'-De-Me C16H21NO3 275.152143 NA MeJP NA NA +MJ020981 Phellibiline C16H21NO3 275.152143 NA MeJP NA NA +MJ020982 Pilokeanine C16H21NO3 275.152143 NA MeJP NA NA +MJ020983 Piperlonguminine, 4,5-Dihydro C16H21NO3 275.152143 NA MeJP NA NA +MJ020984 Rolipram C16H21NO3 275.152143 NA MeJP NA NA +MJ020985 Tropine tropate, N-De-Me C16H21NO3 275.152143 NA MeJP NA NA +PJ000146 TR C10H21N5O4 275.1594 NA PeJP NA NA +MJ020986 Eserine C15H21N3O2 275.163376 NA MeJP NA NA +MJ020987 Mexolamine C15H21N3O2 275.163376 NA MeJP NA NA +MJ020988 Tetrahydro-N-(2-nitrophenyl)-1H-pyrrolizine-7a(5H)-ethanamine C15H21N3O2 275.163376 NA MeJP NA NA +C06535 Physostigmine C15H21N3O2 275.1634 NA KEGG NA NA +MJ020989 Cyclobenzaprine C20H21N 275.167399 NA MeJP NA NA +MJ020990 Octriptyline C20H21N 275.167399 NA MeJP NA NA +C06931 Cyclobenzaprine C20H21N 275.1674 NA KEGG NA NA +MJ020991 Serratamic acid C13H25NO5 275.173272 NA MeJP NA NA +HMDB13131 Hydroxyhexanoycarnitine C13H25NO5 275.173279 NA HMDB2010 NA NA +C09879 Lycoflexine C17H25NO2 275.1885 NA KEGG NA NA +C09886 Magellanine C17H25NO2 275.1885 NA KEGG NA NA +MJ020992 3-(1-Piperidinyl)-1-(4-propoxyphenyl)-1-propanone C17H25NO2 275.188529 NA MeJP NA NA +MJ020993 6-[2-(1-Hydroxybutyl)-4-methylphenyl]-5-hexenamide C17H25NO2 275.188529 NA MeJP NA NA +MJ020994 Hexahydro-1,3-dimethyl-4-phenyl-1H-azepine-4-carboxylic acid; Et ester C17H25NO2 275.188529 NA MeJP NA NA +MJ020995 Joubertiamine, 2,3-Dihydro, Me ether C17H25NO2 275.188529 NA MeJP NA NA +MJ020996 Lobscurinol C17H25NO2 275.188529 NA MeJP NA NA +MJ020997 Lycoflexine C17H25NO2 275.188529 NA MeJP NA NA +MJ020998 Lycopodium Base E C17H25NO2 275.188529 NA MeJP NA NA +MJ020999 Lycopodium Base IX C17H25NO2 275.188529 NA MeJP NA NA +MJ021000 Magellanine C17H25NO2 275.188529 NA MeJP NA NA +MJ021001 Meprodine C17H25NO2 275.188529 NA MeJP NA NA +MJ021002 Mesembrine, Deoxo C17H25NO2 275.188529 NA MeJP NA NA +MJ021003 Proheptazine C17H25NO2 275.188529 NA MeJP NA NA +MJ021004 Sedinine C17H25NO2 275.188529 NA MeJP NA NA +MJ021005 Sedinone C17H25NO2 275.188529 NA MeJP NA NA +MJ021006 Trimeperidine C17H25NO2 275.188529 NA MeJP NA NA +MJ021007 p-Menthan-3-ol, 2-Aminobenzoyl C17H25NO2 275.188529 NA MeJP NA NA +MJ021008 Propiram C16H25N3O 275.199762 NA MeJP NA NA +MJ021009 2,4,8,11-Tetradecatetraenoic acid, 2-Methylpropylamide C18H29NO 275.224914 NA MeJP NA NA +MJ021010 2-Amino-5,9,12,15,17-octadecapentaen-3-ol C18H29NO 275.224914 NA MeJP NA NA +MJ021011 Corydendramine A C18H29NO 275.224914 NA MeJP NA NA +MJ021012 Piperphenidol C18H29NO 275.224914 NA MeJP NA NA +MJ021013 2,5-Dialkylpyrrolidines; 2-(5-Hexenyl)-5-nonylpyrrolidine, 1,2,8'',9''-Tetradehydro C19H33N 275.2613 NA MeJP NA NA +MJ021014 2,5-Dialkylpyrrolidines; 2-(5-Hexenyl)-5-nonylpyrrolidine, 1,5,8'',9''-Tetradehydro C19H33N 275.2613 NA MeJP NA NA +MJ021015 3,5-Di-5-hexenylpyrrolizidine C19H33N 275.2613 NA MeJP NA NA +MJ021016 3-(5-Hexenyl)-5-(4-pentyl)indolizidine C19H33N 275.2613 NA MeJP NA NA +MJ021017 3-(8-Nonenyl)-5-(1-propenyl)pyrrolizidine C19H33N 275.2613 NA MeJP NA NA +MJ021018 Decahydro-2,5-bis(4-pentenyl)quinoline C19H33N 275.2613 NA MeJP NA NA +MJ021019 Hexadiline C19H33N 275.2613 NA MeJP NA NA +MJ021020 Gallium(III) hydroxide citrate C6H7GaO8 275.939673 NA MeJP NA NA +MJ021021 2-Bromo-3,5,6-trimethoxy-1,4-benzoquinone C9H9BrO5 275.963336 NA MeJP NA NA +MJ021022 2,2':5',2''-Terthiophene-5-carboxaldehyde C13H8OS3 275.973726 NA MeJP NA NA +MJ021023 Eudistomin D; N9-Me C12H9BrN2O 275.989825 NA MeJP NA NA +MJ021024 ?-Oxo-5'-(1-propynyl)[2,2'-bithiophene]-5-acetic acid C13H8O3S2 275.991485 NA MeJP NA NA +MJ021025 5,7-Dichloro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one; 3,4-Dihydro, 6-Me ether C11H10Cl2O4 275.995614 NA MeJP NA NA +C11570 2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-[1,3,4]oxadiazole C13H9ClN2OS 276.0124 NA KEGG NA NA +C07643 4-Hydroxycyclophosphamide C7H15Cl2N2O3P 276.0197 NA KEGG NA NA +C07645 Aldophosphamide C7H15Cl2N2O3P 276.0197 NA KEGG NA NA +C16553 4-Hydroxyifosfamide C7H15Cl2N2O3P 276.0197 NA KEGG NA NA +C16556 Aldoifosfamide C7H15Cl2N2O3P 276.0197 NA KEGG NA NA +MJ021026 Aldophosphamide C7H15Cl2N2O3P 276.019734 NA MeJP NA NA +C00345 6-Phospho-D-gluconate C6H13O10P 276.0246 NA KEGG NA NA +C04234 2-Carboxy-D-arabinitol 1-phosphate C6H13O10P 276.0246 NA KEGG NA NA +C04235 3-Acetylenic fatty acyl thioesters C4H2OSR2 276.0246 NA KEGG NA NA +HMDB01316 6-Phosphogluconic acid C6H13O10P 276.024628 NA HMDB2010 NA NA +HMDB01316 6-Phosphogluconic acid C6H13O10P 276.02463 http://www.hmdb.ca/metabolites/HMDB01316 HMDB NA NA +HMDB01316 6-Phosphogluconic acid C6H13O10P 276.02463 HMDB01316 PFEM_hmdb_metabocards_official NA NA +MJ021027 6-Phospho-D-gluconate C6H13O10P 276.024633 NA MeJP NA NA +MJ021028 2-C-(Hydroxymethyl)ribonic acid, 5-O-Phosphate C6H13O10P 276.024633 NA MeJP NA NA +MetaCyc02473 6-phospho-D-gluconate [6-p-gluconate;6-phospho-gluconate;6-phosphogluconic acid;] C6H13O10P1 276.024633 NA metacyc NA NA +MetaCyc02474 2-carboxy-D-arabinitol-1-phosphate [2-carboxyarabinitol 1-phosphate;D-Ribonic acid, 2-C-((phosphonooxy)methyl)-;] C6H13O10P1 276.024633 NA metacyc NA NA +MJ021029 3,4,8,9,10-Pentahydroxy-6H-dibenzo[b,d]pyran-6-one C13H8O7 276.027002 NA MeJP NA NA +MJ021030 4-[2,2'-Bithiophen-5-yl]-3-butyn-1-ol; Ac C14H12O2S2 276.027871 NA MeJP NA NA +MJ021031 ?-Methyl-5-(2-thienylethynyl)-2-thiophenemethanol; Ac C14H12O2S2 276.027871 NA MeJP NA NA +MetaCyc02475 5-(4-acetoxybut-1-ynyl)-2-2'-bithiophene [] C14H12O2S2 276.027871 NA metacyc NA NA +C04485 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene C14H12O2S2 276.0279 NA KEGG NA NA +MJ021032 Indisocin C13H9ClN2O3 276.030169 NA MeJP NA NA +C15627 GW 9662 C13H9ClN2O3 276.0302 NA KEGG NA NA +MJ021033 Chlorpropamide C10H13ClN2O3S 276.03354 NA MeJP NA NA +MJ021034 3-[(1,4-Dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)thio]propanoic acid C14H12O4S 276.045629 NA MeJP NA NA +MetaCyc02476 hexane-6-keto-1,3,4,6-tetracarboxylate [] C10H12O9 276.048132 NA metacyc NA NA +MJ021035 7-Isopropyl-1,4-dimethylazulene; 12-Bromo C15H17Br 276.051363 NA MeJP NA NA +MJ021036 7-Isopropyl-1,4-dimethylazulene; 2-Bromo C15H17Br 276.051363 NA MeJP NA NA +MJ021037 3-Chloro-2-oxo-1(10),3,7(11),8-guaiatetraen-12,6-olide C15H13ClO3 276.055321 NA MeJP NA NA +MJ021038 4-Aminobenzenesulfonic acid; N-Benzoyl, amide C13H12N2O3S 276.056862 NA MeJP NA NA +MJ021039 2,8-Dihydroxy-6-methoxy-3-(2-oxopropyl)-1,4-naphthoquinone C14H12O6 276.063388 NA MeJP NA NA +MJ021040 5,8-Dihydro-7-hydroxy-4-(2-hydroxypropyl)-5,8-dioxo-2-naphthalenecarboxylic acid C14H12O6 276.063388 NA MeJP NA NA +MJ021041 6-(2-Acetyl-3,5-dihydroxybenzyl)-4-hydroxy-2H-pyran-2-one C14H12O6 276.063388 NA MeJP NA NA +MJ021042 6-(3,4-Methylenedioxyphenyl)-2H-pyran-2-one; 2',4-Dimethoxy C14H12O6 276.063388 NA MeJP NA NA +MJ021043 6-(3,4-Methylenedioxyphenyl)-2H-pyran-2-one; 4,5-Dimethoxy C14H12O6 276.063388 NA MeJP NA NA +MJ021044 7-Hydroxy-2H-1-benzopyran-2-one; O-(3-Carboxybutanoyl)(S-) C14H12O6 276.063388 NA MeJP NA NA +MJ021045 Ammiol C14H12O6 276.063388 NA MeJP NA NA +MJ021046 Cerdarin C14H12O6 276.063388 NA MeJP NA NA +MJ021047 Citreoisocoumarinol; 2',4'-Diketone C14H12O6 276.063388 NA MeJP NA NA +MJ021048 Cryptosporin C14H12O6 276.063388 NA MeJP NA NA +MJ021049 Dumortin A; 7,8-Dihydro C14H12O6 276.063388 NA MeJP NA NA +MJ021050 Fonsecin; O-De-Me C14H12O6 276.063388 NA MeJP NA NA +MJ021051 Fusarubin; 6-Deoxy, O-de-Me C14H12O6 276.063388 NA MeJP NA NA +MJ021052 Halfordin C14H12O6 276.063388 NA MeJP NA NA +MJ021053 Isohalfordin C14H12O6 276.063388 NA MeJP NA NA +MJ021054 Javanicin; O-De-Me C14H12O6 276.063388 NA MeJP NA NA +MJ021055 Juglomycin D; 3-Deoxy C14H12O6 276.063388 NA MeJP NA NA +MJ021056 Norjavanicin C14H12O6 276.063388 NA MeJP NA NA +MJ021057 Plumericin; Parent acid C14H12O6 276.063388 NA MeJP NA NA +MJ021058 Talaroflavone C14H12O6 276.063388 NA MeJP NA NA +MJ021059 Thysanone C14H12O6 276.063388 NA MeJP NA NA +MJ021060 Didemnum conchyliatum Alkaloid C15H8N4O2 276.064725 NA MeJP NA NA +MJ021061 Flutamide C11H11F3N2O3 276.072176 NA MeJP NA NA +C07653 Flutamide C11H11F3N2O3 276.0722 NA KEGG NA NA +MJ021062 N-?-Glutamylcysteine; L-L-form, S-Vinyl C10H16N2O5S 276.077992 NA MeJP NA NA +HMDB04818 Biotin sulfone C10H16N2O5S 276.078 http://www.hmdb.ca/metabolites/HMDB04818 PFEM_hmdb_metabocards_urine NA urine +HMDB04818 Biotin sulfone C10H16N2O5S 276.078 http://www.hmdb.ca/metabolites/HMDB04818 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04818 Biotin sulfone C10H16N2O5S 276.078 http://www.hmdb.ca/metabolites/HMDB04818 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04818 Biotin sulfone C10H16N2O5S 276.078 http://www.hmdb.ca/metabolites/HMDB04818 HMDB NA NA +HMDB04818 Biotin sulfone C10H16N2O5S 276.078 HMDB04818 PFEM_hmdb_metabocards_official NA NA +HMDB04818 Biotin sulfone C10H16N2O5S 276.078003 NA HMDB2010 NA NA +MJ021063 3-Hydroxy-2,5-diphenyl-1,4-benzoquinone C18H12O3 276.078644 NA MeJP NA NA +MJ021064 6,8-Dihydroxy-4-methyl-7H-benz[de]anthracen-7-one C18H12O3 276.078644 NA MeJP NA NA +MJ021065 Isotanshinone I C18H12O3 276.078644 NA MeJP NA NA +MJ021066 Tanshinone I C18H12O3 276.078644 NA MeJP NA NA +MJ021067 Clenbuterol C12H18Cl2N2O 276.079618 NA MeJP NA NA +8329 Stimulating vasoactive substance release EE 276.084 Tripeptides ;SYN:3-[[2-amino-2-[(carboxymethyl)carbamoyl]ethyl]dithio]-Alanine; L-cysteinyl-Glycine disulfide; Cystinylglycine; Cystinyl-GLY; (R)-N-(3-((2-amino-2-carboxyethyl)dithio)-ala)-GlyH2Blood Inhouse_peptide NA peptide +C08512 Ranunculin C11H16O8 276.0845 NA KEGG NA NA +MJ021068 3-Hydroxymethyl-2(5H)-furanone; O-?-D-Glucopyranoside C11H16O8 276.084517 NA MeJP NA NA +MJ021069 4-Hydroxy-5-methyl-3(2H)-furanone; O-?-D-Glucopyranoside C11H16O8 276.084517 NA MeJP NA NA +MJ021070 4-Hydroxymethyl-2(5H)-furanone; ?-D-Glucopyranoside C11H16O8 276.084517 NA MeJP NA NA +MJ021071 5-Hydroxymethyl-2(5H)-furanone, ?-D-Glucopyranoside C11H16O8 276.084517 NA MeJP NA NA +MJ021072 Isoranunculin C11H16O8 276.084517 NA MeJP NA NA +MJ021073 Ranuncoside C11H16O8 276.084517 NA MeJP NA NA +CJpos0677 Aminonicotinic acid isomers [(2M+H)]+ C12H13N4O4 276.085275 C18rt(min)=1.06 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0677 Aminonicotinic acid isomers [(2M+H)]+ C12H13N4O4 276.085275 C18rt(min)=1.06 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ021074 10H-Indolo[3,2-b]quinoline-11-carboxylic acid; 5H-form, N-Me C17H12N2O2 276.089877 NA MeJP NA NA +MJ021075 13-Oxoellipticine; Nb-Oxide C17H12N2O2 276.089877 NA MeJP NA NA +MJ021076 Telazoline C17H12N2O2 276.089877 NA MeJP NA NA +C14318 Benzo[ghi]perylene C22H12 276.0939 NA KEGG NA NA +MJ021077 2,3-Diamino-2,3-dideoxyglucuronic acid, 2N,3N-Di-Ac C10H16N2O7 276.09575 NA MeJP NA NA +MJ021078 2,3-Diamino-2,3-dideoxyguluronic acid, 2,3-N-Di-Ac C10H16N2O7 276.09575 NA MeJP NA NA +MJ021079 Gentiana cruciata Alkaloid IVb C10H16N2O7 276.09575 NA MeJP NA NA +MJ021080 Glutaminopine C10H16N2O7 276.09575 NA MeJP NA NA +MetaCyc02477 γ-glutamyl-D-glutamate [] C10H16N2O7 276.095751 NA metacyc NA NA +HMDB11737 Gamma Glutamylglutamic acid C10H16N2O7 276.095764 NA HMDB2010 NA NA +C01425 Glu-Glu C10H16N2O7 276.0958 NA KEGG NA NA +C01426 HOE-252 C10H16N2O7 276.0958 NA KEGG NA NA +C01429 Histone C10H16N2O7 276.0958 NA KEGG NA NA +C01431 Keratin C10H16N2O7 276.0958 NA KEGG NA NA +C05282 (5-L-Glutamyl)-L-glutamate C10H16N2O7 276.0958 NA KEGG NA NA +PJ000147 EE C10H16N2O7 276.0958 NA PeJP NA NA +C14549 Triphenylsilanol C18H16OSi 276.097 NA KEGG NA NA +MJ021081 1,10-Epoxy-4,11(13)-germacradiene-12,8;15,6-diolide C15H16O5 276.099773 NA MeJP NA NA +MJ021082 1,10-Epoxy-8-hydroxy-2-oxo-3,7(11)-guaiadien-12,6-olide C15H16O5 276.099773 NA MeJP NA NA +MJ021083 1,2:3,4-Diepoxy-10-hydroxy-5,11(13)-guaiadien-12,6-olide C15H16O5 276.099773 NA MeJP NA NA +MJ021084 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propanol C15H16O5 276.099773 NA MeJP NA NA +MJ021085 1-Hydroxy-4,9,11(13)-germacratriene-12,8;14,6-diolide C15H16O5 276.099773 NA MeJP NA NA +MJ021086 10-Hydroxy-7(11),8-eremophiladiene-12,8:15,6-diolide C15H16O5 276.099773 NA MeJP NA NA +MJ021087 10-Hydroxytoxol, 10-Ac C15H16O5 276.099773 NA MeJP NA NA +MJ021088 2,2',3,4'-Tetrahydroxy-5,6'-dimethyldiphenyl ether; 4'-Me ether C15H16O5 276.099773 NA MeJP NA NA +MJ021089 2,3-Dihydro-6-(hydroxyacetyl)-2,2-dimethyl-4H-1-benzopyran-4-one; Ac C15H16O5 276.099773 NA MeJP NA NA +MJ021090 3-Hydroxy-1(10),4,11(13)-germacratriene-12,8:15,6-diolide C15H16O5 276.099773 NA MeJP NA NA +MJ021091 4,5,6,8-Tetrahydroxy-2-naphthalenecarboxaldehyde; Tetra-Me ether C15H16O5 276.099773 NA MeJP NA NA +MJ021092 4,5-Epoxy-1(10),7(11),8-germacratriene-12,8:15,6-diolide, 8?,9-Dihydro C15H16O5 276.099773 NA MeJP NA NA +MJ021093 4-Hydroxy-2-(hydroxymethyl)-2-butenoic acid, 5-O-E-Cinnamoyl, Me ester C15H16O5 276.099773 NA MeJP NA NA +MJ021094 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl), 5-Me ether C15H16O5 276.099773 NA MeJP NA NA +MJ021095 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl), 6-Me ether C15H16O5 276.099773 NA MeJP NA NA +MJ021096 5,6,7-Trihydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one; 6-Me ether C15H16O5 276.099773 NA MeJP NA NA +MJ021097 5-Acetyloxy-5,6-dihydro-4,6-dimethoxy-6-(2-phenylethenyl)-2H-pyran-2-one, O-De-Ac C15H16O5 276.099773 NA MeJP NA NA +MJ021098 5-Hydroxy-6-(hydroxyacetyl)-2,2-dimethyl-2H-1-benzopyran; 2'-Ac C15H16O5 276.099773 NA MeJP NA NA +MJ021099 6,11-Epoxy-15-nor-2,4-dioxo-5,10-pinguisadien-12-oic acid; Me ester C15H16O5 276.099773 NA MeJP NA NA +MJ021100 6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl), 6-Me ether C15H16O5 276.099773 NA MeJP NA NA +MJ021101 6,8-Dihydroxy-3-oxo-1,7(11),9-eremophilatrien-12,8-olide C15H16O5 276.099773 NA MeJP NA NA +MJ021102 6-Hydroxytremetone, 3'-Acetoxy C15H16O5 276.099773 NA MeJP NA NA +MJ021103 7,7a-Dihydro-3,6,7-trihydroxy-1a-(3-methyl-2-butenyl)naphth[2,3-b]oxiren-2(1aH)-one C15H16O5 276.099773 NA MeJP NA NA +MJ021104 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(2,3-Epoxy-3-methylbutyl), O8-Me C15H16O5 276.099773 NA MeJP NA NA +MJ021105 7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(2-Hydroxy-3-methyl-3-butenyl), O7-Me C15H16O5 276.099773 NA MeJP NA NA +MJ021106 7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(2S,3-Epoxy-3-methylbutyl), O7-Me C15H16O5 276.099773 NA MeJP NA NA +MJ021107 7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(3-Methyl-2-oxobutyl), O7-Me C15H16O5 276.099773 NA MeJP NA NA +MJ021108 7-Acetyl-6,8-dihydroxy-3-methoxy-4,4-dimethyl-1(4H)-naphthalenone C15H16O5 276.099773 NA MeJP NA NA +MJ021109 7-Hydroxy-2H-1-benzopyran-2-one; O-[3-(Methoxycarbonyl)butyl](S-) C15H16O5 276.099773 NA MeJP NA NA +MJ021110 7-Hydroxy-6-hydroxyacetyl-2,2-dimethyl-2H-benzopyran; 2'-Ac C15H16O5 276.099773 NA MeJP NA NA +MJ021111 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(2,3-Epoxy-3-methylbutyl) C15H16O5 276.099773 NA MeJP NA NA +MJ021112 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(2-Hydroxy-3-methyl-3-butenyl) C15H16O5 276.099773 NA MeJP NA NA +MJ021113 7-Methoxy-8-(1,4-dihydroxy-3-methyl-2-butenyl)-2H-1-benzopyran-2-one C15H16O5 276.099773 NA MeJP NA NA +MJ021114 8,12-Epoxy-1(10),4,7,11-germacratetraen-15,6-olide, 1?,10?:4?,5?-Diepoxide C15H16O5 276.099773 NA MeJP NA NA +MJ021115 8,12-Epoxy-1(10),4,7,11-germacratetraen-15,6-olide, 1?,10?:4?,5?-Diepoxide C15H16O5 276.099773 NA MeJP NA NA +MJ021116 8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide C15H16O5 276.099773 NA MeJP NA NA +MJ021117 8-(1-Hydroxy-2-oxo-3-methylbutyl)-7-methoxy-2H-1-benzopyran-2-one C15H16O5 276.099773 NA MeJP NA NA +MJ021118 8-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,2-diolide C15H16O5 276.099773 NA MeJP NA NA +MJ021119 9,14-Epoxy-2,7(14),8,10-bisabolatetraene-12,15-dioic acid C15H16O5 276.099773 NA MeJP NA NA +MJ021120 9-Hydroxy-3,11(13)-elemadiene-12,8;15,6-diolide C15H16O5 276.099773 NA MeJP NA NA +MJ021121 Aciculatalactone C15H16O5 276.099773 NA MeJP NA NA +MJ021122 Antibiotic NK-A 17E-233II C15H16O5 276.099773 NA MeJP NA NA +MJ021123 Arnottianin C15H16O5 276.099773 NA MeJP NA NA +MJ021124 Ascochitine C15H16O5 276.099773 NA MeJP NA NA +MJ021125 Auraptenol, 2'-Deoxy, 2'-hydroperoxy C15H16O5 276.099773 NA MeJP NA NA +MJ021126 Brachymerolide C15H16O5 276.099773 NA MeJP NA NA +MJ021127 Casegravol C15H16O5 276.099773 NA MeJP NA NA +MJ021128 Celereoin; 5-Me ether C15H16O5 276.099773 NA MeJP NA NA +MJ021129 Chrysanthone B C15H16O5 276.099773 NA MeJP NA NA +MJ021130 Citrubuntin; 1',2'-Dihydro, 1',2'-dihydroxy C15H16O5 276.099773 NA MeJP NA NA +MJ021131 Citrusal; 3'-Carboxylic acid C15H16O5 276.099773 NA MeJP NA NA +MJ021132 Cneorumcoumarin B C15H16O5 276.099773 NA MeJP NA NA +MJ021133 Collybolidol; 7,9-Diepimer, 6-deoxy C15H16O5 276.099773 NA MeJP NA NA +MJ021134 Decursidinol, 4'-O-Me C15H16O5 276.099773 NA MeJP NA NA +MJ021135 Dendryol B; 3-Deoxy, 4,4a-didehydro C15H16O5 276.099773 NA MeJP NA NA +MJ021136 Fuscin C15H16O5 276.099773 NA MeJP NA NA +MJ021137 Glaupalol; 4'-Hydroxy C15H16O5 276.099773 NA MeJP NA NA +MJ021138 Goniodiol; 1'-Ac C15H16O5 276.099773 NA MeJP NA NA +MJ021139 Goniodiol; 2'-Ac C15H16O5 276.099773 NA MeJP NA NA +MJ021140 Hamaudol C15H16O5 276.099773 NA MeJP NA NA +MJ021141 Hydroxybreviquinone C15H16O5 276.099773 NA MeJP NA NA +MJ021142 Illudalic acid C15H16O5 276.099773 NA MeJP NA NA +MJ021143 Isophloiodicarpin C15H16O5 276.099773 NA MeJP NA NA +MJ021144 Khellactone, 10-Me ether C15H16O5 276.099773 NA MeJP NA NA +MJ021145 Lagosin C15H16O5 276.099773 NA MeJP NA NA +MJ021146 Lomatin, 6-Methoxy C15H16O5 276.099773 NA MeJP NA NA +MJ021147 Lophopterol C15H16O5 276.099773 NA MeJP NA NA +MJ021148 Methysticin, 7,8-Dihydro C15H16O5 276.099773 NA MeJP NA NA +MJ021149 Miscandenin; 11?,13-Dihydro C15H16O5 276.099773 NA MeJP NA NA +MJ021150 Murrangatin C15H16O5 276.099773 NA MeJP NA NA +MJ021151 Murraol; Hydroperoxide C15H16O5 276.099773 NA MeJP NA NA +MJ021152 Nidulal C15H16O5 276.099773 NA MeJP NA NA +MJ021153 Nieshoutol C15H16O5 276.099773 NA MeJP NA NA +MJ021154 Obtusidin C15H16O5 276.099773 NA MeJP NA NA +MJ021155 Obtusiprenin C15H16O5 276.099773 NA MeJP NA NA +MJ021156 Omphamurin, 7-O-De-Me C15H16O5 276.099773 NA MeJP NA NA +MJ021157 Pentalenolactone C15H16O5 276.099773 NA MeJP NA NA +MJ021158 Peucenin; 4'-Hydroxy C15H16O5 276.099773 NA MeJP NA NA +MJ021159 Phloidicarpin C15H16O5 276.099773 NA MeJP NA NA +MJ021160 Porelladiolide; 3?,4?-Epoxide C15H16O5 276.099773 NA MeJP NA NA +MJ021161 Prelunularic acid C15H16O5 276.099773 NA MeJP NA NA +MJ021162 Psilostachyin C; 1,2,3,10-Tetradehydro, 1?,10?-epoxide C15H16O5 276.099773 NA MeJP NA NA +MJ021163 Psilostachyin C; 1,2,3,10-Tetradehydro, 1?,10?-epoxide C15H16O5 276.099773 NA MeJP NA NA +MJ021164 Pterolactone B C15H16O5 276.099773 NA MeJP NA NA +MJ021165 Ptilostol C15H16O5 276.099773 NA MeJP NA NA +MJ021166 Rutaretin, 9-Me ether C15H16O5 276.099773 NA MeJP NA NA +MJ021167 Scabequinone, 1'-Hydroxy C15H16O5 276.099773 NA MeJP NA NA +MJ021168 Scabequinone, 7?-Hydroxy C15H16O5 276.099773 NA MeJP NA NA +MJ021169 Secofuscin C15H16O5 276.099773 NA MeJP NA NA +MJ021170 Setosol C15H16O5 276.099773 NA MeJP NA NA +MJ021171 Tamarin, Hydroperoxide C15H16O5 276.099773 NA MeJP NA NA +MJ021172 Tenucarb C15H16O5 276.099773 NA MeJP NA NA +MJ021173 Toddalolactone; 3'-Deoxy, 3',4'-didehydro, O5-de-Me C15H16O5 276.099773 NA MeJP NA NA +MJ021174 Trichodermaol C15H16O5 276.099773 NA MeJP NA NA +MJ021175 Ursinoic acid C15H16O5 276.099773 NA MeJP NA NA +MJ021176 Vernolepin C15H16O5 276.099773 NA MeJP NA NA +MJ021177 Vernomenin C15H16O5 276.099773 NA MeJP NA NA +MJ021178 Visamminol C15H16O5 276.099773 NA MeJP NA NA +MJ021179 Viscidone, 2'-Ac C15H16O5 276.099773 NA MeJP NA NA +C09489 Lactucin C15H16O5 276.0998 NA KEGG NA NA +C09582 Vernolepin C15H16O5 276.0998 NA KEGG NA NA +C09584 Vernomenin C15H16O5 276.0998 NA KEGG NA NA +C09926 Dihydromethysticin C15H16O5 276.0998 NA KEGG NA NA +C17483 Hamaudol C15H16O5 276.0998 NA KEGG NA NA +MJ021180 Xestomanzamine A C16H12N4O 276.101111 NA MeJP NA NA +MJ021181 5-Amino-4-(ribitylamino)uracil C9H16N4O6 276.106984 NA MeJP NA NA +MJ021182 ?-Glutamylalbizziine; L-L-form C9H16N4O6 276.106984 NA MeJP NA NA +MJ021183 4-(1-D-Ribitylamino)-5-amino-2,6-dihydroxypyrimidine C9H16N4O6 276.106984 NA MeJP NA NA +MetaCyc02478 5-amino-6-ribitylamino-2,4(1H,3H)-pyrimidinedione [4-(1-D-ribitylamino)-5-amino-2,6-dihydroxypyrimidine;4-(1-D-ribitylamino)-5-aminouracil;compound 6;] C9H16N4O6 276.106984 NA metacyc NA NA +HMDB11106 5-Amino-6-ribitylamino uracil C9H16N4O6 276.106995 NA HMDB2010 NA NA +C04732 5-Amino-6-(1-D-ribitylamino)uracil C9H16N4O6 276.107 NA KEGG NA NA +PJ000148 GSN C9H16N4O6 276.107 NA PeJP NA NA +HMDB06868 S-(2-Methylpropionyl)-dihydrolipoamide-E C12H22NO2S2 276.10919 http://www.hmdb.ca/metabolites/HMDB06868 HMDB NA NA +HMDB06868 S-(2-Methylpropionyl)-dihydrolipoamide-E C12H22NO2S2 276.10919 HMDB06868 PFEM_hmdb_metabocards_official NA NA +MJ021184 Formyl-N-acetyl-5-methoxykynurenamine C14H16N2O4 276.111007 NA MeJP NA NA +MJ021185 4-(Acetamidomethyl)-3-(4-acetylphenyl)-2-oxazolidinone C14H16N2O4 276.111007 NA MeJP NA NA +MJ021186 5-Hydroxytryptamine; Nb-(3-Carboxypropanoyl) C14H16N2O4 276.111007 NA MeJP NA NA +MJ021187 Oxagrelate C14H16N2O4 276.111007 NA MeJP NA NA +MJ021188 Taglutimide C14H16N2O4 276.111007 NA MeJP NA NA +MJ021189 Lodinixil C14H17ClN4 276.114174 NA MeJP NA NA +MJ021190 Etintidine C12H16N6S 276.115715 NA MeJP NA NA +MJ021191 Hexahydro-3a,7,7-trimethyl-3-(3-thienyl)indeno[1,7a-b]oxiren-2(1aH)-one C16H20O2S 276.1184 NA MeJP NA NA +MJ021192 9-Hydroxy-12-oxo-10-dodecenoic acid C12H20O7 276.120902 NA MeJP NA NA +MJ021193 Clandonensine C12H20O7 276.120902 NA MeJP NA NA +MJ021194 9-Methoxyellipticine C18H16N2O 276.126263 NA MeJP NA NA +MJ021195 Olivacine; 9-Methoxy C18H16N2O 276.126263 NA MeJP NA NA +C06386 Trimethylenetetraurea C7H16N8O4 276.1295 NA KEGG NA NA +C00449 N6-(L-1,3-Dicarboxypropyl)-L-lysine C11H20N2O6 276.1321 NA KEGG NA NA +MJ021196 Nitracidomycin A C11H20N2O6 276.132136 NA MeJP NA NA +MJ021197 Saccharopine C11H20N2O6 276.132136 NA MeJP NA NA +MJ021198 N6-(L-1,3-Dicarboxypropyl)-L-lysine C11H20N2O6 276.132136 NA MeJP NA NA +MetaCyc02479 saccharopine [N6-(L-1,3-dicarboxypropyl)-L-lysine;ε-N-(L-glutar-2-yl)-L-lysine;] C11H20N2O6 276.132136 997-68-2 metacyc NA NA +HMDB00279 Saccharopine C11H20N2O6 276.13214 http://www.hmdb.ca/metabolites/HMDB00279 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00279 Saccharopine C11H20N2O6 276.13214 http://www.hmdb.ca/metabolites/HMDB00279 HMDB NA NA +HMDB00279 Saccharopine C11H20N2O6 276.13214 http://www.hmdb.ca/metabolites/HMDB00279 PFEM_hmdb_metabocards_blood NA blood +HMDB00279 Saccharopine C11H20N2O6 276.13214 HMDB00279 PFEM_hmdb_metabocards_official NA NA +HMDB00279 Saccharopine C11H20N2O6 276.132141 NA HMDB2010 NA NA +MJ021199 1,3,7(11)-Elematrien-12,8-olid-15-oic acid; 8?-form, Me ester C16H20O4 276.136159 NA MeJP NA NA +MJ021200 1-(5,7-Dihydroxy-2,2,6-trimethyl-2H-1-benzopyran-8-yl)-2-methyl-1-propanone C16H20O4 276.136159 NA MeJP NA NA +MJ021201 1-Hydroxy-13-nor-6,9-eremophiladiene-8,11-dione, Ac C16H20O4 276.136159 NA MeJP NA NA +MJ021202 13,14,15,16-Tetranor-7,9(11)-labdadien-12,17-olid-19-oic acid C16H20O4 276.136159 NA MeJP NA NA +MJ021203 2,3-Dihydro-6,7-dimethoxy-2-methyl-2-(2-methyl-1-propenyl)-4H-1-benzopyran-4-one C16H20O4 276.136159 NA MeJP NA NA +MJ021204 2,3-Dihydro-6-hydroxy-8-(3-hydroxy-3-methyl-1-butenyl)-2,2-dimethyl-4H-1-benzopyran-4-one C16H20O4 276.136159 NA MeJP NA NA +MJ021205 3-Hexen-1-ol, 4-Hydroxy-3-methoxycinnamoyl(E-) C16H20O4 276.136159 NA MeJP NA NA +MJ021206 3-Hexen-1-ol, 4-Hydroxy-3-methoxycinnamoyl(Z-) C16H20O4 276.136159 NA MeJP NA NA +MJ021207 3-Hydroxy-4,6-decadiynoic acid, O-Angeloyl, Me ether C16H20O4 276.136159 NA MeJP NA NA +MJ021208 3-[4-Hydroxy-3-(4-hydroxy-3-methyl-2-butenyl)phenyl]-2-propenoic acid, 4'-Me ether, Me ester C16H20O4 276.136159 NA MeJP NA NA +MJ021209 5,7-Dihydroxy-2,6-dimethyl-8-prenyl-4-chromanone C16H20O4 276.136159 NA MeJP NA NA +MJ021210 5,7-Dihydroxy-2,8-dimethyl-6-prenyl-4-chromanone C16H20O4 276.136159 NA MeJP NA NA +MJ021211 5-(1-Propenyl)-1,2,3-benzenetriol, 1,3-Di-Me ether, 2-O-angeloyl C16H20O4 276.136159 NA MeJP NA NA +MJ021212 5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, Me ester C16H20O4 276.136159 NA MeJP NA NA +MJ021213 6,7-Dimethoxy-2-methyl-2-(2-methyl-1-oxopropyl)-2H-1-benzopyran C16H20O4 276.136159 NA MeJP NA NA +MJ021214 6,8-Dimethoxy-2-methyl-3-(2-methylpropyl)-4H-1-benzopyran-4-one C16H20O4 276.136159 NA MeJP NA NA +MJ021215 8-Hydroxy-3-oxo-1,4,11(13)-eudesmatrien-12-oic acid, Me ester C16H20O4 276.136159 NA MeJP NA NA +MJ021216 8-Hydroxy-3-oxo-1,7(11)-eremophiladien-12,8-olide; 8?-form, Me ether C16H20O4 276.136159 NA MeJP NA NA +MJ021217 Amphiphenalone C16H20O4 276.136159 NA MeJP NA NA +MJ021218 Aspertetronin A C16H20O4 276.136159 NA MeJP NA NA +MJ021219 Cordallinol; 8'-Aldehyde C16H20O4 276.136159 NA MeJP NA NA +MJ021220 Foeniculoxin C16H20O4 276.136159 NA MeJP NA NA +MJ021221 Furodysinin lactone; 8-Oxo, Me ether C16H20O4 276.136159 NA MeJP NA NA +MJ021222 Morinin A; 3-Methoxy C16H20O4 276.136159 NA MeJP NA NA +MJ021223 Oudemansin; Oudemansin A, 9-O-De-Me C16H20O4 276.136159 NA MeJP NA NA +MJ021224 Pterosin C, Ac C16H20O4 276.136159 NA MeJP NA NA +MJ021225 Sericealactone; 8-Deoxy C16H20O4 276.136159 NA MeJP NA NA +MJ021226 p-Mentha-1,3,5,8(10)-tetraene-3,9-diol; 3-(2-Methylpropanoyl), 9-Ac C16H20O4 276.136159 NA MeJP NA NA +C09548 Scorpioidin C16H20O4 276.1362 NA KEGG NA NA +C17745 1-(3,4-Dihydroxyphenyl)-1-decene-3,5-dione C16H20O4 276.1362 NA KEGG NA NA +MJ021227 Cyclo(leucyltyrosyl) C15H20N2O3 276.147392 NA MeJP NA NA +MJ021228 Multiflorine; 13?-Hydroxy, 5,6-didehydro, N16-oxide C15H20N2O3 276.147392 NA MeJP NA NA +MJ021229 Pifoxime C15H20N2O3 276.147392 NA MeJP NA NA +MJ021230 Sophoramine; 9?-Hydroxy, N-oxide C15H20N2O3 276.147392 NA MeJP NA NA +MJ021231 Sophorasine A C15H20N2O3 276.147392 NA MeJP NA NA +MJ021232 Narbosine C C13H24O6 276.157288 NA MeJP NA NA +C04498 N-(4-Guanidinobutyl)-4-hydroxycinnamide C14H20N4O2 276.1586 NA KEGG NA NA +C04500 N-Acetyl-D-glucosaminyldiphosphodolichol C28H51NO12P2 276.1586 NA KEGG NA NA +MJ021233 (4-Aminobutyl)guanidine; N1-(4-Hydroxy-E-cinnamoyl) C14H20N4O2 276.158625 NA MeJP NA NA +MJ021234 (4-Aminobutyl)guanidine; N1-(4-Hydroxy-Z-cinnamoyl) C14H20N4O2 276.158625 NA MeJP NA NA +JH174 Daidzein [M+Na]+ NA 276.1608 16.45 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH174 Daidzein [M+Na]+ NA 276.1608 16.45 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH174 Daidzein [M+Na]+ NA 276.1608 16.45 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH174 Daidzein [M+Na]+ NA 276.1608 16.45 Inhousejuil11 NA NA +MJ021235 Mebhydrolin C19H20N2 276.162648 NA MeJP NA NA +C09623 Buddledin A C17H24O3 276.1725 NA KEGG NA NA +C10494 [6]-Shogaol C17H24O3 276.1725 NA KEGG NA NA +C17506 Sugeonyl acetate C17H24O3 276.1725 NA KEGG NA NA +MJ021236 1,10-Heptadecadiene-4,6-diyne-3,8,9-triol C17H24O3 276.172544 NA MeJP NA NA +MJ021237 1,16-Heptadecadiene-4,6-diyne-3,9,10-triol C17H24O3 276.172544 NA MeJP NA NA +MJ021238 1,3,5,10-Bisabolatetraen-2-ol; 12-Acetoxy C17H24O3 276.172544 NA MeJP NA NA +MJ021239 1,3,5,10-Bisabolatetraene-1,4-diol, 1-Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021240 1,3,5-Herbertatriene, 1,3-Dihydroxy, 1-Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021241 1,3,5-Herbertatriene, 1,5-Dihydroxy, 1-Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021242 1,9-Heptadecadiene-4,6-diyne-3,8,11-triol C17H24O3 276.172544 NA MeJP NA NA +MJ021243 1,9-Heptadecadiene-4,6-diyne-3,8-diol, 9,10-Epoxide C17H24O3 276.172544 NA MeJP NA NA +MJ021244 1-Hydroxy-9-heptadecene-4,6-diyn-3-one, 9?,10?-Epoxide C17H24O3 276.172544 NA MeJP NA NA +MJ021245 1-Silphinene-3,5-diol; 3-Ketone, 5-Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021246 10-Hydroperoxy-1,8-heptadecadiene-4,6-diyn-3-ol C17H24O3 276.172544 NA MeJP NA NA +MJ021247 10-Hydroxy-3(15)-longipinen-2-one; 12?-form, Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021248 10-Hydroxy-3-longipinen-5-one; 10?-form, Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021249 12,14-Dihydroxy-3(15),6-caryophylladien-8-one, 12-Deoxy, 14-Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021250 12-Hydroxy-4,11(13)-guaiadien-3-one, Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021251 12-Hydroxy-7(11),9-eremophiladien-8-one; 7(11)E-form, Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021252 12-Hydroxy-7(11),9-eremophiladien-8-one; 7(11)Z-form, Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021253 13-Oxo-8(14)-podocarpen-18-oic acid C17H24O3 276.172544 NA MeJP NA NA +MJ021254 2-[2-(Acetyloxy)ethenyl]-6,10-dimethyl-2,5,9-undecatrienal C17H24O3 276.172544 NA MeJP NA NA +MJ021255 3(15)-Longipinen-4-ol; 14-Acetoxy, 4-ketone C17H24O3 276.172544 NA MeJP NA NA +MJ021256 3,14-Calamenenediol; 14-Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021257 3-Hydroxy-4,7(11)-muuroladien-8-one; 3?-form, Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021258 4(15),10(14),11(13)-Guaiatriene-6,12-diol, 12-Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021259 4-Hydroxy-2,8-neolemnadien-5-one, Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021260 6,11-Epoxy-5,10-pinguisadien-12-ol; Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021261 6-Hydroxy-7,11-eremophiladien-9-one, Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021262 7,11-Epoxy-3,10(14)-guaiadien-6-ol, Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021263 7-Hydroxy-9,11-eremophiladien-8-one; 7?-form, Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021264 9-Hydroxy-1(10),7(11)-eremophiladien-8-one, Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021265 9-Hydroxy-3(15),6-caryophylladien-8-one, Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021266 Antibiotic NFAT 133 C17H24O3 276.172544 NA MeJP NA NA +MJ021267 Calamenene, 2-Hydroxy, 3-acetoxy C17H24O3 276.172544 NA MeJP NA NA +MJ021268 Cyclandelate C17H24O3 276.172544 NA MeJP NA NA +MJ021269 Furanoeremophilan-6-ol, Ac C17H24O3 276.172544 NA MeJP NA NA +MJ021270 Madolin H C17H24O3 276.172544 NA MeJP NA NA +MJ021271 Onchidal C17H24O3 276.172544 NA MeJP NA NA +MJ021272 Pallescensin A, 15-Acetoxy C17H24O3 276.172544 NA MeJP NA NA +MJ021273 Penlanbutenolide C17H24O3 276.172544 NA MeJP NA NA +MJ021274 Plagiochiline C; 15-Deacetoxy C17H24O3 276.172544 NA MeJP NA NA +MJ021275 Prepenlanfuran C17H24O3 276.172544 NA MeJP NA NA +MJ021276 Pyrolagenin C17H24O3 276.172544 NA MeJP NA NA +MJ021277 Shogaol C17H24O3 276.172544 NA MeJP NA NA +MJ021278 Spirodysin C17H24O3 276.172544 NA MeJP NA NA +MJ021279 Taylorione; 4-Acetoxy C17H24O3 276.172544 NA MeJP NA NA +MJ021280 2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form, 1'-Ketone, 2',3'-didehydro C16H24N2O2 276.183778 NA MeJP NA NA +MJ021281 2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form, Diketone C16H24N2O2 276.183778 NA MeJP NA NA +MJ021282 ?-Obscurine; Natural-form, 12-Hydroxy, 2,3-dihydro, N-de-Me C16H24N2O2 276.183778 NA MeJP NA NA +MJ021283 Droxicainide C16H24N2O2 276.183778 NA MeJP NA NA +MJ021284 Lycocernuine; 14,15-Didehydro C16H24N2O2 276.183778 NA MeJP NA NA +MJ021285 Lycopodium Base R C16H24N2O2 276.183778 NA MeJP NA NA +MJ021286 Mamanine; OH-form, O6'-Me C16H24N2O2 276.183778 NA MeJP NA NA +MJ021287 Molindone C16H24N2O2 276.183778 NA MeJP NA NA +MJ021288 Multiflorine; 13-Methoxy C16H24N2O2 276.183778 NA MeJP NA NA +MJ021289 N,N,N'-Trimethyl-N'-(4-hydroxycinnamoyl)putrescine C16H24N2O2 276.183778 NA MeJP NA NA +C07230 Molindone C16H24N2O2 276.1838 NA KEGG NA NA +C09856 Carolinianine C16H24N2O2 276.1838 NA KEGG NA NA +MJ021290 Diptaline C13H28N2O2S 276.187148 NA MeJP NA NA +MJ021291 3,18-Heneicosadiene-1,8,10,20-tetrayne C21H24 276.1878 NA MeJP NA NA +EUR501 13-HPODE F3 F3 276.206325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR501 13-HPODE F3 NA 276.206325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR501 13-HPODE F3 F3 276.206325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR501 13-HPODE F3 NA 276.206325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR501 13-HPODE F3 F3 276.206325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR501 13-HPODE F3 NA 276.206325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR501 13-HPODE F3 F3 276.206325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR501 13-HPODE F3 F3 276.206325 standards wishlist analysés sur QTOF HMDB NA NA +EUR501 13-HPODE F3 F3 276.206325 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR501 13-HPODE F3 NA 276.206325 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR501 13-HPODE F3 F3 276.206325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR501 13-HPODE F3 F3 276.206325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C16300 Stearidonic acid C18H28O2 276.2089 NA KEGG NA NA +HMDB02697 19-Norandrosterone C18H28O2 276.20892 http://www.hmdb.ca/metabolites/HMDB02697 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04590 19-Nor-5-androstenediol C18H28O2 276.20892 http://www.hmdb.ca/metabolites/HMDB04590 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02697 19-Norandrosterone C18H28O2 276.20892 http://www.hmdb.ca/metabolites/HMDB02697 HMDB NA NA +HMDB04590 19-Nor-5-androstenediol C18H28O2 276.20892 http://www.hmdb.ca/metabolites/HMDB04590 HMDB NA NA +HMDB05886 19-Noretiocholanolone C18H28O2 276.20892 http://www.hmdb.ca/metabolites/HMDB05886 HMDB NA NA +HMDB06528 clupanodonic acid C18H28O2 276.20892 http://www.hmdb.ca/metabolites/HMDB06528 HMDB NA NA +HMDB06547 stearidonic acid C18:4 C18H28O2 276.20892 http://www.hmdb.ca/metabolites/HMDB06547 HMDB NA NA +HMDB02697 19-Norandrosterone C18H28O2 276.20892 http://www.hmdb.ca/metabolites/HMDB02697 PFEM_hmdb_metabocards_blood NA blood +HMDB04590 19-Nor-5-androstenediol C18H28O2 276.20892 http://www.hmdb.ca/metabolites/HMDB04590 PFEM_hmdb_metabocards_blood NA blood +HMDB02697 19-Norandrosterone C18H28O2 276.20892 HMDB02697 PFEM_hmdb_metabocards_official NA NA +HMDB04590 19-Nor-5-androstenediol C18H28O2 276.20892 HMDB04590 PFEM_hmdb_metabocards_official NA NA +HMDB05886 19-Noretiocholanolone C18H28O2 276.20892 HMDB05886 PFEM_hmdb_metabocards_official NA NA +HMDB06528 clupanodonic acid C18H28O2 276.20892 HMDB06528 PFEM_hmdb_metabocards_official NA NA +HMDB06547 stearidonic acid C18:4 C18H28O2 276.20892 HMDB06547 PFEM_hmdb_metabocards_official NA NA +HMDB02697 19-Norandrosterone C18H28O2 276.208923 NA HMDB2010 NA NA +HMDB04590 19-Nor-5-androstenediol C18H28O2 276.208923 NA HMDB2010 NA NA +HMDB05886 19-Noretiocholanolone C18H28O2 276.208923 NA HMDB2010 NA NA +HMDB06547 Stearidonic acid C18H28O2 276.208923 NA HMDB2010 NA NA +MJ021292 11,13-Octadecadien-9-ynoic acid C18H28O2 276.20893 NA MeJP NA NA +MJ021293 11,17-Octadecadien-9-ynoic acid C18H28O2 276.20893 NA MeJP NA NA +MJ021294 11-Hydroxy-14,15-dinor-7,11-labdadien-13-one C18H28O2 276.20893 NA MeJP NA NA +MJ021295 14,15-Dinor-7-labdene-6,13-dione C18H28O2 276.20893 NA MeJP NA NA +MJ021296 14,15-Dinor-8-labdene-7,13-dione C18H28O2 276.20893 NA MeJP NA NA +MJ021297 18-Hydroxy-14,15-dinor-8(17),11-labdadien-13-one C18H28O2 276.20893 NA MeJP NA NA +MJ021298 3,9,12,15-Octadecatetraenoic acid C18H28O2 276.20893 NA MeJP NA NA +MJ021299 4,8,12,15-Octadecatetraenoic acid C18H28O2 276.20893 NA MeJP NA NA +MJ021300 5,9,12,15-Octadecatetraenoic acid C18H28O2 276.20893 NA MeJP NA NA +MJ021301 6,10,14-Trimethyl-5,10,13-pentadecatriene-2,12-dione C18H28O2 276.20893 NA MeJP NA NA +MJ021302 6,10,14-Trimethyl-5,9,13-pentadecatriene-2,12-dione C18H28O2 276.20893 NA MeJP NA NA +MJ021303 6,9,12,15-Octadecatetraenoic acid C18H28O2 276.20893 NA MeJP NA NA +MJ021304 7,9-Octadecadiynoic acid C18H28O2 276.20893 NA MeJP NA NA +MJ021305 8,10,12,14-Octadecatetraenoic acid C18H28O2 276.20893 NA MeJP NA NA +MJ021306 9,11,13,15-Octadecatetraenoic acid C18H28O2 276.20893 NA MeJP NA NA +MJ021307 9,11-Octadecadiynoic acid C18H28O2 276.20893 NA MeJP NA NA +MJ021308 9,14-Octadecadien-12-ynoic acid C18H28O2 276.20893 NA MeJP NA NA +MJ021309 Elisabethin C C18H28O2 276.20893 NA MeJP NA NA +MJ021310 Estr-4-ene-3,17-diol C18H28O2 276.20893 NA MeJP NA NA +MJ021311 Laipol C18H28O2 276.20893 NA MeJP NA NA +MJ021312 Sollasin E C18H28O2 276.20893 NA MeJP NA NA +EUR492 19-HETE F3 F3 276.214725 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR492 19-HETE F3 NA 276.214725 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR492 19-HETE F3 F3 276.214725 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR492 19-HETE F3 NA 276.214725 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR492 19-HETE F3 F3 276.214725 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR492 19-HETE F3 NA 276.214725 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR492 19-HETE F3 F3 276.214725 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR492 19-HETE F3 F3 276.214725 standards wishlist analysés sur QTOF HMDB NA NA +EUR492 19-HETE F3 F3 276.214725 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR492 19-HETE F3 NA 276.214725 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR492 19-HETE F3 F3 276.214725 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR492 19-HETE F3 F3 276.214725 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ021313 3-Pyridinedodecanal; Oxime C17H28N2O 276.220163 NA MeJP NA NA +MJ021314 Etidocaine C17H28N2O 276.220163 NA MeJP NA NA +C07530 Etidocaine C17H28N2O 276.2202 NA KEGG NA NA +C02945 3beta-Hydroxysteroid C19H32O 276.2453 NA KEGG NA NA +C02956 7beta-Hydroxysteroid C19H32O 276.2453 NA KEGG NA NA +C03072 3alpha-Hydroxysteroid C19H32O 276.2453 NA KEGG NA NA +C14254 5alpha-Androstan-17beta-ol C19H32O 276.2453 NA KEGG NA NA +C15638 5alpha-Androstan-3alpha-ol C19H32O 276.2453 NA KEGG NA NA +MJ021315 10,13,16,18-Nonadecatetraen-1-ol C19H32O 276.245315 NA MeJP NA NA +MJ021316 19-Nor-3,5-clerodadien-15-ol C19H32O 276.245315 NA MeJP NA NA +MJ021317 2-(1-Pentadecenyl)furan C19H32O 276.245315 NA MeJP NA NA +MJ021318 3-Tridecylphenol C19H32O 276.245315 NA MeJP NA NA +HMDB05830 5a-Androstan-3b-ol C19H32O 276.24533 http://www.hmdb.ca/metabolites/HMDB05830 HMDB NA NA +HMDB05830 5a-Androstan-3b-ol C19H32O 276.24533 HMDB05830 PFEM_hmdb_metabocards_official NA NA +HMDB05830 5a-Androstan-3b-ol C19H32O 276.245331 NA HMDB2010 NA NA +EUR496 8(9)-EET F3 F3 276.247825 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR496 8(9)-EET F3 NA 276.247825 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR496 8(9)-EET F3 F3 276.247825 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR496 8(9)-EET F3 NA 276.247825 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR496 8(9)-EET F3 F3 276.247825 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR496 8(9)-EET F3 NA 276.247825 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR496 8(9)-EET F3 F3 276.247825 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR496 8(9)-EET F3 F3 276.247825 standards wishlist analysés sur QTOF HMDB NA NA +EUR496 8(9)-EET F3 F3 276.247825 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR496 8(9)-EET F3 NA 276.247825 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR496 8(9)-EET F3 F3 276.247825 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR496 8(9)-EET F3 F3 276.247825 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ021319 Niphatesine C C18H32N2 276.256549 NA MeJP NA NA +MJ021320 Niphatesine D C18H32N2 276.256549 NA MeJP NA NA +MJ021321 Theonelladine C C18H32N2 276.256549 NA MeJP NA NA +MJ021322 13-Ethyl-8-methylpodocarpane C20H36 276.281701 NA MeJP NA NA +MJ021323 3,6,9-Eicosatriene C20H36 276.281701 NA MeJP NA NA +MJ021324 Rosane C20H36 276.281701 NA MeJP NA NA +3774 PEP inhibitor MPPPL 276.6402 MH2+ Inhouse_peptide NA peptide +3775 PEP inhibitor MPPLP 276.6402 MH2+ Inhouse_peptide NA peptide +3042 inhibitor of fibrinogen and thrombin coagulation GPRGPA 276.642 MH2+ Inhouse_peptide NA peptide +MJ021325 (3,5,6-Trichloro-2-pyridinyl)phosphonic acid C5H3Cl3NO4P 276.886527 NA MeJP NA NA +MJ021326 10-Chloro-5,10-dihydrophenarsazine C12H9AsClN 276.963948 NA MeJP NA NA +MJ021327 Fenitrothion C9H12NO5PS 277.017379 NA MeJP NA NA +C14442 Fenitrothion C9H12NO5PS 277.0174 NA KEGG NA NA +MetaCyc02480 N'-phosphoguanidinoethyl methyl phosphate [[N-[2-(hydroxy-methoxy-phosphinoyl)oxyethyl]carbamimidoyl] aminophosphonic acid;] C4H13N3O7P2 277.022873 NA metacyc NA NA +C04503 N'-Phosphoguanidinoethyl methyl phosphate C4H13N3O7P2 277.0229 NA KEGG NA NA +C04504 N3'-Acetyl-2-deoxystreptamine antibiotic C8H14N2O4R2 277.0229 NA KEGG NA NA +C04505 Polysialic acid acetylated at O-7 C8H14N2O4R2 277.0229 NA KEGG NA NA +C04506 Protein C-terminal S-farnesyl-L-cysteine C20H33N2O3SR 277.0229 NA KEGG NA NA +MJ021328 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, 3'-O-Sulfate C9H11NO7S 277.025622 NA MeJP NA NA +MJ021329 Pluracidomycin D C9H11NO7S 277.025622 NA MeJP NA NA +HMDB02028 DOPA sulfate C9H11NO7S 277.02563 http://www.hmdb.ca/metabolites/HMDB02028 HMDB NA NA +HMDB02028 DOPA sulfate C9H11NO7S 277.02563 HMDB02028 PFEM_hmdb_metabocards_official NA NA +HMDB02028 DOPA sulfate C9H11NO7S 277.025635 NA HMDB2010 NA NA +MJ021330 Alipamide C9H12ClN3O3S 277.028789 NA MeJP NA NA +MJ021331 Azathioprine C9H7N7O2S 277.038193 NA MeJP NA NA +C06837 Azathioprine C9H7N7O2S 277.0382 NA KEGG NA NA +MJ021332 Neridronic acid C6H17NO7P2 277.048024 NA MeJP NA NA +MJ021333 Arprinocid C12H9ClFN5 277.053051 NA MeJP NA NA +MJ021334 Salfredin C1 C13H11NO6 277.058637 NA MeJP NA NA +MetaCyc02481 2-phthalimidoglutarate [2-Phthalimidoglutaric acid;2-(1,3-dioxoisoindol-2-yl)glutaric acid;L-2-Phthalimidoglutaric acid;N-Phthaloyl-L-glutamic acid;N-Phthalyl-L-glutamic acid;Phthaloyl-L-glutamic acid;] C13H11N1O6 277.058637 340-90-9 metacyc NA NA +C08249 Pyrimidine 5'-deoxynucleotide C9H14N2O6P 277.0589 NA KEGG NA NA +MJ021335 Liriodendronine; O1-Me C17H11NO3 277.073893 NA MeJP NA NA +MJ021336 2,10,13-Trihydroxydibenzo[a,g]quinolizinium(1+) C17H12NO3(+) 277.073893 NA MeJP NA NA +MJ021337 Lycomarasmine C9H15N3O7 277.090999 NA MeJP NA NA +C08496 Lycomarasmine B C9H15N3O7 277.091 NA KEGG NA NA +PJ000149 GSD C9H15N3O7 277.091 NA PeJP NA NA +MJ021338 1-(Acetoxymethyl)-2-formyl-1,2-dihydro-5-hydroxy-7-methoxyisoquinoline C14H15NO5 277.095022 NA MeJP NA NA +MJ021339 Antibiotic MBP 039-06 C14H15NO5 277.095022 NA MeJP NA NA +MJ021340 Folescutol C14H15NO5 277.095022 NA MeJP NA NA +MJ021341 Spirostaphylotrichin G C14H15NO5 277.095022 NA MeJP NA NA +MJ021342 Triticone A C14H15NO5 277.095022 NA MeJP NA NA +MJ021343 Ethylmethylthiambutene C15H19NS2 277.09589 NA MeJP NA NA +C10948 Metazachlor C14H16ClN3O 277.0982 NA KEGG NA NA +PJ000150 QM C10H19N3O4S 277.1096 NA PeJP NA NA +MJ021344 2-(3,4-Dihydroxyphenethyl)quinoline; Methylene ether C18H15NO2 277.110278 NA MeJP NA NA +MJ021345 2-Cyano-3,3-diphenyl-2-propenoic acid; Et ester C18H15NO2 277.110278 NA MeJP NA NA +MJ021346 Dehydroroemerine C18H15NO2 277.110278 NA MeJP NA NA +MJ021347 Murrayacine C18H15NO2 277.110278 NA MeJP NA NA +MJ021348 Otanthusic acid, 2-Methylpropylamide C15H19NO2S 277.113649 NA MeJP NA NA +MJ021349 2,3-Dihydroxy-3-methylbutanoic acid, Nitrile, 2-O-?-D-glucopyranoside C11H19NO7 277.116151 NA MeJP NA NA +MJ021350 Fructose amino acids; Fructoseproline C11H19NO7 277.116151 NA MeJP NA NA +C04424 S-(2-Methylpropanoyl)-dihydrolipoamide C12H23NO2S2 277.117 NA KEGG NA NA +MJ021351 S-(2-Methylpropanoyl)-dihydrolipoamide C12H23NO2S2 277.11702 NA MeJP NA NA +MetaCyc02482 S-(2-methylpropanoyl)-dihydrolipoamide [S-(2-methylpropionyl)-dihydrolipoamide;] C12H23N1O2S2 277.11702 NA metacyc NA NA +HMDB06868 S-(2-Methylpropionyl)-dihydrolipoamide-E C12H23NO2S2 277.117035 NA HMDB2010 NA NA +MJ021352 6'-C-Methylneplanocin A C12H15N5O3 277.117489 NA MeJP NA NA +MJ021353 Entecavir C12H15N5O3 277.117489 NA MeJP NA NA +MetaCyc02483 queuine [7-(3,4-trans-4,5-cis-dihydroxy-1-cyclopenten-3-ylaminomethyl)-7-deazaguanine;base Q;4H-pyrrolo(2,3-d)pyrimidin-4-one, 2-amino-5-((((1S,4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl)amino)methyl)-1,7-dihydro-;] C12H15N5O3 277.117489 NA metacyc NA NA +HMDB01495 Queuine C12H15N5O3 277.11749 http://www.hmdb.ca/metabolites/HMDB01495 HMDB NA NA +HMDB01495 Queuine C12H15N5O3 277.11749 HMDB01495 PFEM_hmdb_metabocards_official NA NA +HMDB01495 Queuine C12H15N5O3 277.117493 NA HMDB2010 NA NA +C01449 Queuine C12H15N5O3 277.1175 NA KEGG NA NA +C01450 Ketone COR2 277.1175 NA KEGG NA NA +PJ000151 CR C9H19N5O3S 277.1209 NA PeJP NA NA +MJ021354 Coelenteramine C17H15N3O 277.121512 NA MeJP NA NA +PJ000152 GTT C10H19N3O6 277.1274 NA PeJP NA NA +3309 NA LPYY 277.131 MH2+ Inhouse_peptide NA peptide +3310 NA LYPY 277.131 MH2+ Inhouse_peptide NA peptide +7890 NA YLYP 277.131 MH2+ Inhouse_peptide NA peptide +MJ021355 1H-Indole-3-carboxylic acid; N-(2,3-Dihydroxy-1,1-dimethylpropyl)(S-), Me ester C15H19NO4 277.131408 NA MeJP NA NA +MJ021356 3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3,4-Methylene, 5-Me ether, 2-methylpropylamide C15H19NO4 277.131408 NA MeJP NA NA +MJ021357 8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-Benzoyl C15H19NO4 277.131408 NA MeJP NA NA +MJ021358 8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 6-O-Benzoyl C15H19NO4 277.131408 NA MeJP NA NA +MJ021359 Cichorine; O-(4-Hydroxy-3-methyl-2-butenyl)(Z-) C15H19NO4 277.131408 NA MeJP NA NA +MJ021360 Convolvine; O4'-De-Me C15H19NO4 277.131408 NA MeJP NA NA +MJ021361 Fusarochromanone; 3'-Deamino C15H19NO4 277.131408 NA MeJP NA NA +MJ021362 Haplafine; N-Me, 2',3'-Dihydroxy C15H19NO4 277.131408 NA MeJP NA NA +MJ021363 Obscurolide A3 C15H19NO4 277.131408 NA MeJP NA NA +MJ021364 Obscurolide B3 C15H19NO4 277.131408 NA MeJP NA NA +MJ021365 Peyoglutam; Me ether C15H19NO4 277.131408 NA MeJP NA NA +MJ021366 Pinthunamide C15H19NO4 277.131408 NA MeJP NA NA +PJ000153 KM C11H23N3O3S 277.146 NA PeJP NA NA +MJ021367 2,4-Undecadiene-8,10-diynoic acid, 2-Phenylethylamide C19H19NO 277.146664 NA MeJP NA NA +MJ021368 3,5-Undecadiene-8,10-diynoic acid, 2-Phenylethylamide C19H19NO 277.146664 NA MeJP NA NA +MJ021369 Maroxepin C19H19NO 277.146664 NA MeJP NA NA +3255 beta-lactorphin (102-105) ACE inhibitor YLLF 277.1495 MH2+ Inhouse_peptide NA peptide +3256 beta-lactorphin (102-105) YLLF 277.1495 MH2+ Inhouse_peptide NA peptide +MJ021370 4-Amino-4,6-dideoxy-3-C-methylmannose, 2-Me, N-(2-methoxypropanoyl) C12H23NO6 277.152537 NA MeJP NA NA +CJneg0491 Butyrylcarnitine [(M-H)+(HCOOH)]- C12H22NO6 277.153125 C18rt(min)=4.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0491 Butyrylcarnitine [(M-H)+(HCOOH)]- C12H22NO6 277.153125 C18rt(min)=4.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ021371 Antibiotic Tu 1718B C11H23N3O5 277.16377 NA MeJP NA NA +MJ021372 3,4-Dihydroxybenzylamine; 3-Me ether, N-(6-methyl-4E-heptenoyl) C16H23NO3 277.167793 NA MeJP NA NA +MJ021373 8-Methylpyridoxatin C16H23NO3 277.167793 NA MeJP NA NA +MJ021374 Acetamidoeugenol C16H23NO3 277.167793 NA MeJP NA NA +MJ021375 Antibiotic PF 1140 C16H23NO3 277.167793 NA MeJP NA NA +MJ021376 Dendrobine, 11-Oxo C16H23NO3 277.167793 NA MeJP NA NA +MJ021377 Lasubine I; 9a-Epimer, O3'-de-Me C16H23NO3 277.167793 NA MeJP NA NA +MJ021378 Lasubine I; O3'-De-Me C16H23NO3 277.167793 NA MeJP NA NA +MJ021379 Lycopodium Base 168 C16H23NO3 277.167793 NA MeJP NA NA +MJ021380 Mesembrenol; O4'-De-Me, 4,5-dihydro C16H23NO3 277.167793 NA MeJP NA NA +MJ021381 Mesembrine, 6?-Alcohol, N-de-Me C16H23NO3 277.167793 NA MeJP NA NA +MJ021382 Pargolol C16H23NO3 277.167793 NA MeJP NA NA +MJ021383 Pranosal C16H23NO3 277.167793 NA MeJP NA NA +MJ021384 Pribecaine C16H23NO3 277.167793 NA MeJP NA NA +MJ021385 Rudrakine C16H23NO3 277.167793 NA MeJP NA NA +MJ021386 C-Alkaloid J C19H21N2 277.170473 NA MeJP NA NA +MJ021387 Procainamide; N4-Ac C15H23N3O2 277.179026 NA MeJP NA NA +MJ021388 Litracen C20H23N 277.183049 NA MeJP NA NA +MJ021389 Maprotiline C20H23N 277.183049 NA MeJP NA NA +MJ021390 Nortriptyline; N-Me C20H23N 277.183049 NA MeJP NA NA +C06824 Amitriptyline C20H23N 277.1831 NA KEGG NA NA +C07107 Maprotiline C20H23N 277.1831 NA KEGG NA NA +C16659 2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine C20H23N 277.1831 NA KEGG NA NA +MetaCyc02484 EHNA [9-erythro-(2-hydroxy-3-nonyl)adenine;3-(6-aminopurin-9-yl)nonan-2-ol;] C14H23N5O1 277.19026 NA metacyc NA NA +MJ021391 1-[(2,3-Dihydro-7-methyl-1H-inden-4-yl)oxy]3-[(1-methylethyl)amino]-2-butanol C17H27NO2 277.204179 NA MeJP NA NA +MJ021392 2-(Diethylaminoethyl) 2-phenylpentanoate C17H27NO2 277.204179 NA MeJP NA NA +MJ021393 2-[2-(Dimethylamino)ethyl]-3,4-dihydro-2,5,7,8-tetramethyl-2H-1-benzopyran-6-ol C17H27NO2 277.204179 NA MeJP NA NA +MJ021394 4-(Dimethylamino)benzoic acid; 2-Ethylhexyl ester C17H27NO2 277.204179 NA MeJP NA NA +MJ021395 Lelobanidine, N-De-Me C17H27NO2 277.204179 NA MeJP NA NA +MJ021396 Lycopaniculatine C17H27NO2 277.204179 NA MeJP NA NA +MJ021397 Lycopodium Base V C17H27NO2 277.204179 NA MeJP NA NA +MJ021398 Sedinine; 3,4-Dihydro C17H27NO2 277.204179 NA MeJP NA NA +MJ021399 Stenine C17H27NO2 277.204179 NA MeJP NA NA +MJ021400 Venlafaxine C17H27NO2 277.204179 NA MeJP NA NA +MJ021401 Dendrobine, N-Me C17H28NO2(+) 277.204179 NA MeJP NA NA +HMDB05016 Venlafaxine C17H27NO2 277.20419 http://www.hmdb.ca/metabolites/HMDB05016 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05016 Venlafaxine C17H27NO2 277.20419 http://www.hmdb.ca/metabolites/HMDB05016 HMDB NA NA +HMDB05016 Venlafaxine C17H27NO2 277.20419 http://www.hmdb.ca/metabolites/HMDB05016 PFEM_hmdb_metabocards_blood NA blood +HMDB05016 Venlafaxine C17H27NO2 277.20419 HMDB05016 PFEM_hmdb_metabocards_official NA NA +HMDB05016 Venlafaxine C17H27NO2 277.204193 NA HMDB2010 NA NA +C07187 Venlafaxine C17H27NO2 277.2042 NA KEGG NA NA +MJ021402 2,4,8-Tetradecatrienoic acid, 2-Methylpropylamide C18H31NO 277.240564 NA MeJP NA NA +MJ021403 2,4-Tetradecadienoic acid, Pyrrolidide C18H31NO 277.240564 NA MeJP NA NA +MJ021404 2-Amino-5,9,12,15,17-octadecapentaen-3-ol, 17,18-Dihydro C18H31NO 277.240564 NA MeJP NA NA +MJ021405 Amaminol A C18H31NO 277.240564 NA MeJP NA NA +MJ021406 Cryptophorine; 7',8'-Dihydro, Me ether C18H31NO 277.240564 NA MeJP NA NA +MJ021407 Lepadin B C18H31NO 277.240564 NA MeJP NA NA +MJ021408 2,5-Dialkylpyrrolidines; 2-Hexyl-5-nonylpyrrolidine, 5',6',8'',9''-Tetradehydro C19H35N 277.27695 NA MeJP NA NA +MJ021409 2-(5-Hexenyl)-3,4-dihydro-5-nonyl-2H-pyrrole C19H35N 277.27695 NA MeJP NA NA +MJ021410 3,4-Dihydro-5-(5-hexenyl)-2-nonyl-2H-pyrrole C19H35N 277.27695 NA MeJP NA NA +MJ021411 Perhexiline C19H35N 277.27695 NA MeJP NA NA +2879 opioid fragment of beta-lipotropin L-enkephalin YGGFL 277.6285 MH2+ Inhouse_peptide NA peptide +8122 secretory peptide hormone - (Leu)enkephalin YGGFL 277.6285 MH2+ Inhouse_peptide NA peptide +HMDB01045 Enkephalin L C28H37N5O7 277.6346435 MH2+ Inhouse_peptide NA peptide +3793 NA QRPR 277.656 MH2+ Inhouse_peptide NA peptide +MJ021412 Tribromoacetaldehyde C2HBr3O 277.757752 NA MeJP NA NA +MJ021413 3,5-Dibromo-2-hydroxybenzaldehyde C7H4Br2O2 277.857804 NA MeJP NA NA +MJ021414 3,5-Dibromo-4-hydroxybenzaldehyde C7H4Br2O2 277.857804 NA MeJP NA NA +MJ021415 2,3-Diphosphonobutanedioic acid C4H8O10P2 277.959269 NA MeJP NA NA +MJ021416 Chondrocole A; 1-Oxo C10H12BrClO2 277.970919 NA MeJP NA NA +MJ021417 2,2':5',2''-Terthiophene-5-methanol C13H10OS3 277.989377 NA MeJP NA NA +MJ021418 3'-Methoxy-2,2';5',2''-terthiophene C13H10OS3 277.989377 NA MeJP NA NA +MJ021419 2-Methyl-1,2,3,4-butanetetrol, 2,4-Cyclic pyrophosphate C5H12O9P2 277.995655 NA MeJP NA NA +MetaCyc02485 2-C-methyl-D-erythritol-2,4-cyclodiphosphate [ME-2,4cPP;] C5H12O9P2 277.995655 NA metacyc NA NA +C11453 2-C-Methyl-D-erythritol 2,4-cyclodiphosphate C5H12O9P2 277.9957 NA KEGG NA NA +MJ021420 ?-Oxo-5'-(1-propynyl)[2,2'-bithiophene]-5-acetic acid; 1''-Alcohol C13H10O3S2 278.007135 NA MeJP NA NA +MJ021421 3,5-Dichloro-2-hydroxy-4-methoxy-6-propylbenzoic acid C11H12Cl2O4 278.011264 NA MeJP NA NA +MJ021422 Threitol, 1,4-Dimesyl C6H14O8S2 278.013008 NA MeJP NA NA +C14420 Fenthion C10H15O3PS2 278.02 NA KEGG NA NA +MJ021423 Fenthion C10H15O3PS2 278.020022 NA MeJP NA NA +MJ021424 Merisoprol C3H8HgO2 278.023055 NA MeJP NA NA +MJ021425 Dibenzyl trisulfide C14H14S3 278.025762 NA MeJP NA NA +MJ021426 Acecarbromal C9H15BrN2O3 278.026605 NA MeJP NA NA +C16551 Alcophosphamide C7H17Cl2N2O3P 278.0354 NA KEGG NA NA +C16558 Alcoifosfamide C7H17Cl2N2O3P 278.0354 NA KEGG NA NA +MJ021427 Cartasteine C9H14N2O4S2 278.039498 NA MeJP NA NA +MJ021428 2,3,3',4,4',5'-Hexahydroxybenzophenone C13H10O7 278.042652 NA MeJP NA NA +MJ021429 2,3,4,6-Tetrahydroxy-5-oxo-5H-benzocycloheptene-8-carboxylic acid; 3-Me ether C13H10O7 278.042652 NA MeJP NA NA +MJ021430 2,5,6,7,8-Pentahydroxy-3-methylnaphthoquinone; 6,7-Methylene, 8-Me ether C13H10O7 278.042652 NA MeJP NA NA +MJ021431 2-Acetyl-3,5,6,8-tetrahydroxy-7-methyl-1,4-naphthoquinone C13H10O7 278.042652 NA MeJP NA NA +MJ021432 Imidazole mustard C8H12Cl2N6O 278.044964 NA MeJP NA NA +MJ021433 Dithyreanitrile C13H14N2OS2 278.054754 NA MeJP NA NA +FL1AA9NF0001 4-Hydroxyfurano[2'',3'':6,7]aurone C17H10O4 278.0579 61755-72-4 knapsack NA NA +FL3FA9NF0001 Pongaglabol;5-Hydroxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one C17H10O4 278.0579 75666-79-4 knapsack NA NA +FLIDWXNF0001 Neorauteen C17H10O4 278.0579 53766-54-4 knapsack NA NA +MJ021434 2-(Phenylmethylene)benzo[1,2-b:3,4-b']difuran-3(2H)-one; 4-Hydroxy C17H10O4 278.057908 NA MeJP NA NA +MJ021435 Isopongaglabol C17H10O4 278.057908 NA MeJP NA NA +MJ021436 Karanjonol C17H10O4 278.057908 NA MeJP NA NA +MJ021437 Neodunol; 6a,11a-Didehydro C17H10O4 278.057908 NA MeJP NA NA +MJ021438 Pongaglabol C17H10O4 278.057908 NA MeJP NA NA +MJ021439 Pongol C17H10O4 278.057908 NA MeJP NA NA +MJ021440 3,4-Dihydroxy-5-(hydroxymethyl)-2(5H)-furanone, 1'-O-?-D-Xylopyranoside C10H14O9 278.063782 NA MeJP NA NA +MetaCyc02486 hexane-6-ol-1,3,4,6-tetracarboxylate [] C10H14O9 278.063782 NA metacyc NA NA +MJ021441 Antibiotic FR 900148 C10H15ClN2O5 278.066949 NA MeJP NA NA +MJ021442 12-Bromo-4(13),6,9-lauratriene; 8,11-Didehydro C15H19Br 278.067013 NA MeJP NA NA +MJ021443 Flazin; De(hydroxymethyl) C16H10N2O3 278.069142 NA MeJP NA NA +MJ021444 Imbiline 1; N-De-Me C16H10N2O3 278.069142 NA MeJP NA NA +MJ021445 2-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 3-Chloro C15H15ClO3 278.070972 NA MeJP NA NA +MJ021446 Aspergillomarasmine B C9H14N2O8 278.075015 NA MeJP NA NA +MJ021447 3-Methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazolo[4,3-b]pyridazine C13H9F3N4 278.07793 NA MeJP NA NA +MJ021448 2-Ethyl-3,5,6,8-tetrahydroxy-7-methyl-1,4-naphthoquinone; 6-Me ether C14H14O6 278.079038 NA MeJP NA NA +MJ021449 4,4'-Dimethyl-2,2',3,3',6,6'-biphenylhexol C14H14O6 278.079038 NA MeJP NA NA +MJ021450 6-(1-Hydroxyethyl)-5-hydroxy-2,7-dimethoxy-1,4-naphthoquinone C14H14O6 278.079038 NA MeJP NA NA +MJ021451 Citreoisocoumarinol; 2'-Ketone C14H14O6 278.079038 NA MeJP NA NA +MJ021452 Citreoisocoumarinol; 4'-Ketone C14H14O6 278.079038 NA MeJP NA NA +MJ021453 Coumarleucasin C14H14O6 278.079038 NA MeJP NA NA +MJ021454 Plumericin; 11S,13-Dihydro, parent acid C14H14O6 278.079038 NA MeJP NA NA +MJ021455 Didemnimide A C15H10N4O2 278.080375 NA MeJP NA NA +7839 ACE inhibitor ME 278.0824 immunomodulating Inhouse_peptide NA peptide +MJ021456 Sulfadimidine C12H14N4O2S 278.083746 NA MeJP NA NA +MJ021457 Sulfisomidine C12H14N4O2S 278.083746 NA MeJP NA NA +MJ021458 Antibiotic RK 1441A; 11-Ketone, 3-O-de-Me C13H14N2O5 278.090271 NA MeJP NA NA +MJ021459 Pukeleimide C13H14N2O5 278.090271 NA MeJP NA NA +MJ021460 N-?-Glutamylmethionine; L-L-form C10H18N2O5S 278.093642 NA MeJP NA NA +PJ000154 EM C10H18N2O5S 278.0937 NA PeJP NA NA +FL1C19NF0002 Ovalitenin A C18H14O3 278.09429 64280-20-2 knapsack NA NA +MJ021461 Dehydrocycloguanandin; Deoxy C18H14O3 278.094294 NA MeJP NA NA +MJ021462 Isotanshinone I; 15,16-Dihydro C18H14O3 278.094294 NA MeJP NA NA +MJ021463 Isotanshinone II; 15,16-Dihydro C18H14O3 278.094294 NA MeJP NA NA +MJ021464 Methylenetanshinquinone C18H14O3 278.094294 NA MeJP NA NA +MJ021465 Ovalitenin A C18H14O3 278.094294 NA MeJP NA NA +MJ021466 Tanshinone I; 1,2-Dihydro C18H14O3 278.094294 NA MeJP NA NA +MJ021467 Tanshinone I; 15,16-Dihydro C18H14O3 278.094294 NA MeJP NA NA +MJ021468 3-Ethyl-7-isopropyl-1-azulenesulfonic acid C15H18O3S 278.097665 NA MeJP NA NA +MJ021469 5-Isopropyl-3,8-dimethyl-1-azulenesulfonic acid C15H18O3S 278.097665 NA MeJP NA NA +HMDB02091 Isovalerylglucuronide C11H18O8 278.100159 NA HMDB2010 NA NA +HMDB02091 Isovalerylglucuronide C11H18O8 278.10016 http://www.hmdb.ca/metabolites/HMDB02091 HMDB NA NA +HMDB02091 Isovalerylglucuronide C11H18O8 278.10016 HMDB02091 PFEM_hmdb_metabocards_official NA NA +MJ021470 4-Hydroxy-2-methylenebutanoic acid; ?-D-Glucopyranosyl ester C11H18O8 278.100167 NA MeJP NA NA +MJ021471 6-Tuliposide A C11H18O8 278.100167 NA MeJP NA NA +C08561 Tuliposide A C11H18O8 278.1002 NA KEGG NA NA +MJ021472 6-(1-Oxopropyl)-2,4(1H,3H)-pteridinedione; 1,3-Di-Me, 3'-methoxy C12H14N4O4 278.101504 NA MeJP NA NA +MJ021473 Bimakalim C17H14N2O2 278.105527 NA MeJP NA NA +MJ021474 Cyclopeptine, 3,10-Didehydro C17H14N2O2 278.105527 NA MeJP NA NA +MJ021475 Dragabine; N-De-Me C17H14N2O2 278.105527 NA MeJP NA NA +MJ021476 Luotonin D C17H14N2O2 278.105527 NA MeJP NA NA +MJ021477 Oxapadol C17H14N2O2 278.105527 NA MeJP NA NA +MJ021478 Clidanac C16H19ClO2 278.107357 NA MeJP NA NA +C14325 Dibenz[a,h]anthracene C22H14 278.1096 NA KEGG NA NA +3666 ACE inhibitor YP 278.115 ACE inhibitor Inhouse_peptide NA peptide +C09302 Artecanin C15H18O5 278.1154 NA KEGG NA NA +C09354 Canin C15H18O5 278.1154 NA KEGG NA NA +C09363 Conchosin A C15H18O5 278.1154 NA KEGG NA NA +C09379 Coriamyrtin C15H18O5 278.1154 NA KEGG NA NA +C09485 Isohelenol C15H18O5 278.1154 NA KEGG NA NA +C09983 Zinnolide C15H18O5 278.1154 NA KEGG NA NA +MJ021479 1,10-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021480 1,10:14,15-Diepoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-Deoxy C15H18O5 278.115423 NA MeJP NA NA +MJ021481 1,10:8,14-Diepoxy-14-hydroxy-4,11(13)-germacradien-12,6-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021482 1,13-Dihydroxy-4-oxo-2,7(11)-pseudoguaiadien-12,6-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021483 1,2-Epoxy-10-hydroxy-5-oxo-3,11(13)-germacradien-12,6-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021484 1,2:3,4-Diepoxy-10-hydroxy-11(13)-guaien-12,6-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021485 1,3,13-Trihydroxy-4,7(11),10(14)-germacratrien-12,6-olide, 1-Ketone C15H18O5 278.115423 NA MeJP NA NA +MJ021486 1,4,8-Trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021487 1,4,8-Trihydroxy-2,9,11(13)-guaiatrien-12,6-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021488 1,4-Dihydroxy-2,11(13)-eudesmadien-12,6-olide, 1-Ketone, 4-hydroperoxide C15H18O5 278.115423 NA MeJP NA NA +MJ021489 1,4-Epidioxy-4,5-epoxy-2,11(13)-xanthadien-12,8-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021490 1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 9-Deoxy C15H18O5 278.115423 NA MeJP NA NA +MJ021491 1,5-Dihydroxy-2-oxo-3,11(13)-eudesmadien-12,8-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021492 1,5-Dihydroxy-2-oxo-4(15),11(13)-eudesmadien-12,8-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021493 1,8-Dihydroxy-2-oxo-3,7(11)-eudesmadien-12,8-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021494 1,8-Dihydroxy-3,9,11(13)-guaiatrien-12,6-olide, 3?,4?-Epoxide C15H18O5 278.115423 NA MeJP NA NA +MJ021495 1-O-Coumaroylglycerol, 2,3-O-Isopropylidene C15H18O5 278.115423 NA MeJP NA NA +MJ021496 1-Oxo-2,4-eudesmadien-12,6-olide, 2?,3?:4?,5?-Diepoxide C15H18O5 278.115423 NA MeJP NA NA +MJ021497 10,14-Epoxy-4-oxo-12,6-pseudoguaianolide; 1-Hydroxy, 11,13-didehydro C15H18O5 278.115423 NA MeJP NA NA +MJ021498 10,14-Epoxy-4-oxo-12,6-pseudoguaianolide; 1-Hydroxy, 2,3-didehydro C15H18O5 278.115423 NA MeJP NA NA +MJ021499 10,15-Dihydroxy-2-oxo-3-guaien-12,6-olide, 11,13-Didehydro C15H18O5 278.115423 NA MeJP NA NA +MJ021500 11-Hydroxy-1,12-dioxo-7-drimen-15,11-olide; 11?-form C15H18O5 278.115423 NA MeJP NA NA +MJ021501 11-Hydroxy-12-methoxydihydrokawain C15H18O5 278.115423 NA MeJP NA NA +MJ021502 13-Hydroxyripariochromene A; 7-Me ether C15H18O5 278.115423 NA MeJP NA NA +MJ021503 15-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,8-diolide, 11?,13-Dihydro C15H18O5 278.115423 NA MeJP NA NA +MJ021504 2,14-Epoxy-1-hydroxy-4-oxo-11(13)-pseudoguaien-12,6-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021505 2,3-Epoxy-1,4-dihydroxy-7(11),8-eudesmadien-12,8-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021506 2,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Ketone C15H18O5 278.115423 NA MeJP NA NA +MJ021507 2-(3-Methyl-2-oxiranyl)-1,4-benzenediol; 4-Me ether, 1-O-(2,3-epoxy-2-methylbutanoyl) C15H18O5 278.115423 NA MeJP NA NA +MJ021508 2-Hydroxy-8,12-dioxo-4,11(13)-bulgaradien-15-oic acid C15H18O5 278.115423 NA MeJP NA NA +MJ021509 3,4-Epoxy-1,8-dihydroxy-10(14),11(13)-guaiadien-12,6-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021510 3,8-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021511 3-Hydroxy-1(10),4-germacradiene-12,8:15,6-diolide C15H18O5 278.115423 NA MeJP NA NA +MJ021512 4,15-Epoxy-3,8-dihydroxy-10(14),11(13)-guaiadien-12,6-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021513 4,8-Dihydroxy-1-oxo-2,11(13)-eudesmadien-12,6-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021514 5,10-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021515 5,6-Epoxy-11,6:15,12-pinguisanediolide C15H18O5 278.115423 NA MeJP NA NA +MJ021516 5,6-Epoxy-11-hydroxy-1-oxo-3-eudesmen-12,6-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021517 5-Acetyl-2,3-dihydro-3,6,7-trihydroxy-2-isopropenylbenzofuran, 3,7-Di-Me ether C15H18O5 278.115423 NA MeJP NA NA +MJ021518 5-Hydroxy-14-oxo-7-marasmen-15,5-olide; 5?-form, 9?-Hydroxy C15H18O5 278.115423 NA MeJP NA NA +MJ021519 5-Hydroxy-2,6,10-farnesatriene-1,15:13,9-diolide C15H18O5 278.115423 NA MeJP NA NA +MJ021520 6,10-Dihydroxy-3-oxo-7(11),8-eremophiladien-12,8-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021521 6,13-Dihydroxy-4-oxo-2,7(11)-pseudoguaiadien-12,8-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021522 6,9-Dihydroxy-4-oxo-1(5),2,11(13)-xanthatrien-12,8-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021523 6,9-Dihydroxy-9-furanoeremophilen-15-oic acid; 6?-form C15H18O5 278.115423 NA MeJP NA NA +MJ021524 6-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Epoxide C15H18O5 278.115423 NA MeJP NA NA +MJ021525 7(6?5)-Abeo-10,11-epoxy-6,11:15,12-pinguisanediolide C15H18O5 278.115423 NA MeJP NA NA +MJ021526 7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(4-Hydroxy-3-methylbutyl), O7-Me C15H18O5 278.115423 NA MeJP NA NA +MJ021527 7,8-Epoxy-12,8:15,6-eremophilanediolide C15H18O5 278.115423 NA MeJP NA NA +MJ021528 7-Eremophilene-12,8:15,6-diolide, 7?,8?-Epoxide C15H18O5 278.115423 NA MeJP NA NA +MJ021529 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(4-Hydroxy-3-methylbutyl) C15H18O5 278.115423 NA MeJP NA NA +MJ021530 8,10,15-Trihydroxy-3,11(13)-guaiadien-12,6-olide, 15-Aldehyde C15H18O5 278.115423 NA MeJP NA NA +MJ021531 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021532 8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro C15H18O5 278.115423 NA MeJP NA NA +MJ021533 8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021534 8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether C15H18O5 278.115423 NA MeJP NA NA +MJ021535 8-Acetyl-5,6,7-trihydroxy-2,2-dimethyl-2H-1-benzopyran; 5,6-Di-Me ether C15H18O5 278.115423 NA MeJP NA NA +MJ021536 8-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,2-diolide, 11?,13-Dihydro C15H18O5 278.115423 NA MeJP NA NA +MJ021537 8-Hydroxy-1-oxo-2,4-eudesmadien-12,6-olide, 4?,5?-Epoxide C15H18O5 278.115423 NA MeJP NA NA +MJ021538 8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 4?,5?-Epoxide C15H18O5 278.115423 NA MeJP NA NA +MJ021539 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 1?,10?-epoxide C15H18O5 278.115423 NA MeJP NA NA +MJ021540 8-Hydroxy-7(11)-eremophilene-12,8:15,6-diolide C15H18O5 278.115423 NA MeJP NA NA +MJ021541 9,13-Dihydroxy-2-oxo-4(15),10(14)-guaiadien-12,6-olide C15H18O5 278.115423 NA MeJP NA NA +MJ021542 Achimilic acid C15H18O5 278.115423 NA MeJP NA NA +MJ021543 Achimillic acid A C15H18O5 278.115423 NA MeJP NA NA +MJ021544 Antheindurolide B C15H18O5 278.115423 NA MeJP NA NA +MJ021545 Arteludovicinolide B; 2-Deoxy C15H18O5 278.115423 NA MeJP NA NA +MJ021546 Arteminone C15H18O5 278.115423 NA MeJP NA NA +MJ021547 Artemisia rutifolia Lactone C15H18O5 278.115423 NA MeJP NA NA +MJ021548 Asperdurin C15H18O5 278.115423 NA MeJP NA NA +MJ021549 Bissecotanapartholide C15H18O5 278.115423 NA MeJP NA NA +MJ021550 Coriamyrtin C15H18O5 278.115423 NA MeJP NA NA +MJ021551 Dendryol B; 3-Deoxy C15H18O5 278.115423 NA MeJP NA NA +MJ021552 Dictamdiol C15H18O5 278.115423 NA MeJP NA NA +MJ021553 Dihydrofuscin C15H18O5 278.115423 NA MeJP NA NA +MJ021554 Dihydrosecofuscidin C15H18O5 278.115423 NA MeJP NA NA +MJ021555 Evodione; 5-O-De-Me C15H18O5 278.115423 NA MeJP NA NA +MJ021556 Goniodiol; 5?-Ethoxy C15H18O5 278.115423 NA MeJP NA NA +MJ021557 Goniofupyrone; 7-Et ether C15H18O5 278.115423 NA MeJP NA NA +MJ021558 Illudoic acid C15H18O5 278.115423 NA MeJP NA NA +MJ021559 Isosecotanapartholide C15H18O5 278.115423 NA MeJP NA NA +MJ021560 Lagopodin A; 2,5-Dihydroxy C15H18O5 278.115423 NA MeJP NA NA +MJ021561 Marasmone C15H18O5 278.115423 NA MeJP NA NA +MJ021562 Melicophyllone A; 7?,8?-Dihydroxy C15H18O5 278.115423 NA MeJP NA NA +MJ021563 Mexicanin H C15H18O5 278.115423 NA MeJP NA NA +MJ021564 Murrangatin, 3',4'-Dihydro C15H18O5 278.115423 NA MeJP NA NA +MJ021565 Paniculide A; 15-Hydroxy, 8-ketone C15H18O5 278.115423 NA MeJP NA NA +MJ021566 Pentalenolactone F C15H18O5 278.115423 NA MeJP NA NA +MJ021567 Peucedanol, 7-Me ether C15H18O5 278.115423 NA MeJP NA NA +MJ021568 Pulvilloric acid C15H18O5 278.115423 NA MeJP NA NA +MJ021569 Secotanapartholide A C15H18O5 278.115423 NA MeJP NA NA +MJ021570 Sericealactone; O-De-Me C15H18O5 278.115423 NA MeJP NA NA +MJ021571 Tanaphillin C15H18O5 278.115423 NA MeJP NA NA +MJ021572 Zinnolide C15H18O5 278.115423 NA MeJP NA NA +MJ021573 Adibendan C16H14N4O 278.116761 NA MeJP NA NA +MJ021574 Xestomanzamine A; 3,4-Dihydro C16H14N4O 278.116761 NA MeJP NA NA +C17230 2-(7'-Methylthio)heptylmalic acid C12H22O5S 278.1188 NA KEGG NA NA +C17231 3-(7'-Methylthio)heptylmalic acid C12H22O5S 278.1188 NA KEGG NA NA +HMDB11112 N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole C14H18N2O4 278.126648 NA HMDB2010 NA NA +HMDB11176 L-phenylalanyl-L-hydroxyproline C14H18N2O4 278.126648 NA HMDB2010 NA NA +MJ021575 3-Hydroxy-3-[(4-methoxyphenyl)methyl]-1,4-dimethyl-2,5-piperazinedione C14H18N2O4 278.126657 NA MeJP NA NA +MJ021576 Mofoxime C14H18N2O4 278.126657 NA MeJP NA NA +MJ021577 Ribazole; ?-D-form C14H18N2O4 278.126657 NA MeJP NA NA +MJ021578 Ribazole; ?-D-form C14H18N2O4 278.126657 NA MeJP NA NA +MJ021579 N1-(alpha-D-ribosyl)-5,6-dimethylbenzimidazole C14H18N2O4 278.126657 NA MeJP NA NA +MJ021580 alpha-Ribazole C14H18N2O4 278.126657 NA MeJP NA NA +MetaCyc02487 α-ribazole [N1-(α-D-ribosyl)-5,6-dimethylbenzimidazole;] C14H18N2O4 278.126657 NA metacyc NA NA +C05775 alpha-Ribazole C14H18N2O4 278.1267 NA KEGG NA NA +C05776 Vitamin B12 C62H88CoN13O14PR 278.1267 NA KEGG NA NA +PJ000155 PY C14H18N2O4 278.1267 NA PeJP NA NA +C00831 Pantetheine C11H22N2O4S 278.13 NA KEGG NA NA +MJ021581 Pantetheine C11H22N2O4S 278.130027 NA MeJP NA NA +MetaCyc02488 panthetheine [Penthetheine;] C11H22N2O4S1 278.130028 NA metacyc NA NA +MetaCyc02489 pantetheine [pantotheine;] C11H22N2O4S1 278.130028 496-65-1 metacyc NA NA +HMDB03426 Pantetheine C11H22N2O4S 278.130035 NA HMDB2010 NA NA +HMDB03426 Pantetheine C11H22N2O4S 278.13004 http://www.hmdb.ca/metabolites/HMDB03426 HMDB NA NA +HMDB03426 Pantetheine C11H22N2O4S 278.13004 HMDB03426 PFEM_hmdb_metabocards_official NA NA +MJ021582 3',4',5,7-Tetramethylflavone C19H18O2 278.130679 NA MeJP NA NA +MJ021583 7,16-Epoxy-20-nor-5(10),6,8,11,13-cleistanthapentaen-3-one; 1,2-Didehydro C19H18O2 278.130679 NA MeJP NA NA +MJ021584 Eupomatenoid 6; Me ether C19H18O2 278.130679 NA MeJP NA NA +MJ021585 Tigmobiose C12H22O7 278.136553 NA MeJP NA NA +MJ021586 Lomifylline C13H18N4O3 278.13789 NA MeJP NA NA +MJ021587 Pentoxifylline C13H18N4O3 278.13789 NA MeJP NA NA +MetaCyc02490 N-benzoyl-D-arginine [] C13H18N4O3 278.13789 NA metacyc NA NA +C03001 N-Benzoyl-D-arginine C13H18N4O3 278.1379 NA KEGG NA NA +C07424 Pentoxifylline C13H18N4O3 278.1379 NA KEGG NA NA +MJ021588 9-Methoxyellipticine; 1,2-Dihydro C18H18N2O 278.141913 NA MeJP NA NA +MJ021589 Azanator C18H18N2O 278.141913 NA MeJP NA NA +MJ021590 Demexiptiline C18H18N2O 278.141913 NA MeJP NA NA +MJ021591 Mariptiline C18H18N2O 278.141913 NA MeJP NA NA +MJ021592 Proquazone C18H18N2O 278.141913 NA MeJP NA NA +MJ021593 Fluzoperine C15H19FN2O2 278.143056 NA MeJP NA NA +HMDB01518 Alpha-CEHC C16H22O4 278.151794 NA HMDB2010 NA NA +HMDB13248 Monoethylhexyl phthalic acid C16H22O4 278.151794 NA HMDB2010 NA NA +C03343 2-Ethylhexyl phthalate C16H22O4 278.1518 NA KEGG NA NA +C14214 Dibutyl phthalate C16H22O4 278.1518 NA KEGG NA NA +C15205 Diisobutyl phthalate C16H22O4 278.1518 NA KEGG NA NA +MJ021594 1,2-Benzenedicarboxylic acid; Dibutyl ester C16H22O4 278.151809 NA MeJP NA NA +MJ021595 1,2-Dihydroxy-1,3,5-herbertatrien-12-al, 12-Carboxylic acid, Me ester C16H22O4 278.151809 NA MeJP NA NA +MJ021596 1,9-Dioxo-2,10-bisaboladien-15-oic acid, Me ester C16H22O4 278.151809 NA MeJP NA NA +MJ021597 1-Hydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 1-Carboxylic acid, Me ester C16H22O4 278.151809 NA MeJP NA NA +MJ021598 13-Hydroxy-4-oxo-2-pseudoguaien-12,6-olide, Me ether C16H22O4 278.151809 NA MeJP NA NA +MJ021599 2,5-Dihydroxy-1(10),3-guaiadien-12,6-olide, 2-Me ether C16H22O4 278.151809 NA MeJP NA NA +MJ021600 2-(2-Hydroxy-3-methylbutyl)-3,5,6-trimethyl-1,4-benzoquinone; Ac C16H22O4 278.151809 NA MeJP NA NA +MJ021601 2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-butanone C16H22O4 278.151809 NA MeJP NA NA +MJ021602 2-Oxomicrocionin 2-lactone; Me ether C16H22O4 278.151809 NA MeJP NA NA +MJ021603 5,7-Dihydroxy-6-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; Tri-Me ether C16H22O4 278.151809 NA MeJP NA NA +MJ021604 5,7-Dihydroxy-6-isobutyryl-2,2-dimethylchroman; 7-Me ether C16H22O4 278.151809 NA MeJP NA NA +MJ021605 5,7-Dihydroxy-8-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; Tri-Me ether C16H22O4 278.151809 NA MeJP NA NA +MJ021606 5,7-Dihydroxy-8-isobutyryl-2,2-dimethylchroman; 7-Me ether C16H22O4 278.151809 NA MeJP NA NA +MJ021607 6,10-Dihydroxy-7(11),8-eremophiladien-12,8-olide, 6-Me ether C16H22O4 278.151809 NA MeJP NA NA +MJ021608 6,8-Dihydroxy-1(10),7(11)-eremophiladien-12,8-olide, 6-Me ether C16H22O4 278.151809 NA MeJP NA NA +MJ021609 6,8-Dihydroxy-1(10),7(11)-eremophiladien-12,8-olide, 8-Me ether C16H22O4 278.151809 NA MeJP NA NA +MJ021610 6-Hydroxy-3-oxo-5(10)-pinguisen-11,6-olide, Me ether C16H22O4 278.151809 NA MeJP NA NA +MJ021611 8,12-Epoxy-7,8-dihydroxy-1,9-eremophiladien-3-one, 8-Me ether C16H22O4 278.151809 NA MeJP NA NA +MJ021612 8-Hydroxy-1(10),7(11)-eremophiladien-12,8-olide; 8à OH-form, 1?,10?-Epoxide, Me ether C16H22O4 278.151809 NA MeJP NA NA +MJ021613 Acrostalidic acid C16H22O4 278.151809 NA MeJP NA NA +MJ021614 Brefeldin A; 7-Ketone C16H22O4 278.151809 NA MeJP NA NA +MJ021615 Cordallinol C16H22O4 278.151809 NA MeJP NA NA +MJ021616 Cyclocordallinol C16H22O4 278.151809 NA MeJP NA NA +MJ021617 Emmotin A C16H22O4 278.151809 NA MeJP NA NA +MJ021618 Emmotin Z; 3-Me ether C16H22O4 278.151809 NA MeJP NA NA +MJ021619 Furodysinin lactone; 8?-Hydroxy, Me ether C16H22O4 278.151809 NA MeJP NA NA +MJ021620 Isoacrostalidic acid C16H22O4 278.151809 NA MeJP NA NA +MJ021621 Lasiodiplodin, O-De-Me C16H22O4 278.151809 NA MeJP NA NA +MJ021622 Mochiquinone C16H22O4 278.151809 NA MeJP NA NA +MJ021623 Monilidiol; Dechloro C16H22O4 278.151809 NA MeJP NA NA +MJ021624 Oncorhyncolide C16H22O4 278.151809 NA MeJP NA NA +MJ021625 Senkyunolide M C16H22O4 278.151809 NA MeJP NA NA +MJ021626 Senkyunolide Q C16H22O4 278.151809 NA MeJP NA NA +MJ021627 Sinapyl alcohol, 4'-O-(3-Methyl-2-butenyl) C16H22O4 278.151809 NA MeJP NA NA +MJ021628 Tournefolin A C16H22O4 278.151809 NA MeJP NA NA +MJ021629 o-Mentha-1(7),4,8-triene-3,6-diol; 6-(2-Methylpropanoyl), 3-Ac C16H22O4 278.151809 NA MeJP NA NA +MJ021630 p-Mentha-1,3,5,8(10)-tetraene-3,9-diol; 8,10-Dihydro, 3-(2-methylpropanoyl), 9-Ac C16H22O4 278.151809 NA MeJP NA NA +MetaCyc02491 2-ethylhexyl phthalate [] C16H22O4 278.151809 NA metacyc NA NA +MetaCyc02492 4-prenylphlorisovalerophenone [PPIVP;compound-X;] C16H22O4 278.151809 NA metacyc NA NA +HMDB01518 alpha-CEHC C16H22O4 278.15182 http://www.hmdb.ca/metabolites/HMDB01518 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01518 alpha-CEHC C16H22O4 278.15182 http://www.hmdb.ca/metabolites/HMDB01518 HMDB NA NA +HMDB01518 alpha-CEHC C16H22O4 278.15182 http://www.hmdb.ca/metabolites/HMDB01518 PFEM_hmdb_metabocards_blood NA blood +HMDB01518 alpha-CEHC C16H22O4 278.15182 HMDB01518 PFEM_hmdb_metabocards_official NA NA +3551 ACE inhibitor (from bovine beta-Lg) LF 278.152 ACE inhibitor Inhouse_peptide NA peptide +7593 ACE inhibitor IF 278.152 antioxidative Inhouse_peptide NA peptide +3747 NA LGTIPG 278.1545 MH2+ Inhouse_peptide NA peptide +CJneg0492 Butyrylcarnitine [(M-H)+(HCOOH)]- (13C) C1113CH22NO6 278.156425 C18rt(min)=4.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0492 Butyrylcarnitine [(M-H)+(HCOOH)]- (13C) C1113CH22NO6 278.156425 C18rt(min)=4.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ021631 17-Oxolupanine; 13?-Hydroxy C15H22N2O3 278.163042 NA MeJP NA NA +MJ021632 17-Oxolupanine; 15?-Hydroxy C15H22N2O3 278.163042 NA MeJP NA NA +MJ021633 4-Hydroxyepilupinine; 11-O-(2-Pyrrolecarbonyl) C15H22N2O3 278.163042 NA MeJP NA NA +MJ021634 4-Hydroxyepilupinine; 4-O-(2-Pyrrolecarbonyl) C15H22N2O3 278.163042 NA MeJP NA NA +MJ021635 4-[(3-Butoxy-4-methoxyphenyl)methyl]-2-imidazolidinone C15H22N2O3 278.163042 NA MeJP NA NA +MJ021636 Aphyllidine, 2R,9R-Dihydroxy C15H22N2O3 278.163042 NA MeJP NA NA +MJ021637 Aphyllidine, 2S,9R-Dihydroxy C15H22N2O3 278.163042 NA MeJP NA NA +MJ021638 Brevioxime C15H22N2O3 278.163042 NA MeJP NA NA +MJ021639 Mamanine; 8?-Hydroxy C15H22N2O3 278.163042 NA MeJP NA NA +MJ021640 Mamanine; N-Oxide C15H22N2O3 278.163042 NA MeJP NA NA +MJ021641 Sophocarpine; 9?-Hydroxy, N-oxide C15H22N2O3 278.163042 NA MeJP NA NA +MJ021642 Tolycaine C15H22N2O3 278.163042 NA MeJP NA NA +HMDB13243 Leucyl-phenylalanine C15H22N2O3 278.163055 NA HMDB2010 NA NA +PJ000156 LF C15H22N2O3 278.1631 NA PeJP NA NA +MJ021643 18(4?3)-Abeo-20-nor-1,3,5(10),6,8,11,13-abietaheptaen-12-ol; Me ether C20H22O 278.167065 NA MeJP NA NA +MJ021644 2-(3-Methyl-2-butenyl)-5-(2-phenylethenyl)-1,3-benzenediol; Monodeoxy, Me ether C20H22O 278.167065 NA MeJP NA NA +MJ021645 Asperenone C20H22O 278.167065 NA MeJP NA NA +EUR379 Aldosterone F6 F6 278.167575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR379 Aldosterone F6 NA 278.167575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR379 Aldosterone F6 F6 278.167575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR379 Aldosterone F6 NA 278.167575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR379 Aldosterone F6 F6 278.167575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR379 Aldosterone F6 NA 278.167575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR379 Aldosterone F6 F6 278.167575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR379 Aldostérone F6 F6 278.167575 standards wishlist analysés sur QTOF HMDB NA NA +EUR379 Aldosterone F6 F6 278.167575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR379 Aldosterone F6 NA 278.167575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR379 Aldosterone F6 F6 278.167575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR379 Aldosterone F6 F6 278.167575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +7485 ACE inhibitor (fr,198-202 of bovine as2-casein) TKVIP 278.1725 MH2+ Inhouse_peptide NA peptide +MJ021646 2-Heptanol, O-?-D-Glucopyranoside C13H26O6 278.172938 NA MeJP NA NA +MJ021647 Nosantine C14H22N4O2 278.174275 NA MeJP NA NA +MetaCyc02493 cuprizone [cuprizane;biscyclohexanone oxaldihydrazone;oxalic acid bis(cyclohexanylidenehydrazide);Ethanedioic acid, bis(cyclohexylidenehydrazide);N,N'-bis(cyclohexylideneamino)oxamide;Biscyclohexanone oxalyldihydrazone;] C14H22N4O2 278.174276 NA metacyc NA NA +MJ021648 C-Alkaloid S C19H22N2 278.178298 NA MeJP NA NA +MJ021649 Capuronidine; Deoxy, 14,15-didehydro C19H22N2 278.178298 NA MeJP NA NA +MJ021650 Depramine C19H22N2 278.178298 NA MeJP NA NA +MJ021651 Eburnamenine C19H22N2 278.178298 NA MeJP NA NA +MJ021652 Pericine C19H22N2 278.178298 NA MeJP NA NA +MJ021653 Triprolidine C19H22N2 278.178298 NA MeJP NA NA +MJ021654 Zenkerene C19H22N2 278.178298 NA MeJP NA NA +MJ021655 1,3,5-Bisabolatriene-1,9-diol; 9-Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021656 1-(4-Hydroxy-3-methoxyphenyl)-3-decanone C17H26O3 278.188194 NA MeJP NA NA +MJ021657 1-Heptadecene-11,13-diyne-8,9,10-triol C17H26O3 278.188194 NA MeJP NA NA +MJ021658 1-Heptadecene-4,6-diyne-3,9,10-triol C17H26O3 278.188194 NA MeJP NA NA +MJ021659 1-Hydroxy-2,6,10-farnesatrien-9-one, Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021660 10(14)-Aromadendrene-4,9-diol, 9-Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021661 11,12-Epoxy-8(12)-drimen-11-ol, Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021662 11-Hydroxy-7-drimen-12,11-olide; 11?-form, Et ether C17H26O3 278.188194 NA MeJP NA NA +MJ021663 15-Hydroxy-2,10-bisaboladien-1-one; Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021664 2,10-Bisaboladiene-1,12-diol; 1-Ketone, 12-Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021665 2,3-Dihydroxybicyclogermacrene, 2-Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021666 2,3-Dihydroxybicyclogermacrene, 3-Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021667 3(15),6-Caryophylladien-12-ol, 6?,7?-Epoxide, Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021668 3(15)-Gymnomitrene-1,10-diol, 10-Deoxy, 3?,15-epoxide, 1-Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021669 3,11-Eudesmadiene-1,14-diol, 14-Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021670 3,7-Epoxy-1,10-bisaboladien-12-ol; Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021671 3-(1,3,5,7,9-Tetradecapentaenyloxy)-1,2-propanediol C17H26O3 278.188194 NA MeJP NA NA +MJ021672 3-Gymnomitren-1-ol, 1-Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021673 3-Gymnomitrene-1,10,15-triol, 10-Deoxy, 1-Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021674 3-Hydroxy-2-[2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethyl]-2-buten-1-al; Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021675 3-Hydroxy-5,7-megastigmadien-9-one, 2-Methylpropanoyl C17H26O3 278.188194 NA MeJP NA NA +MJ021676 3-Longipinene-12,13-diol; 12-Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021677 3-Longipinene-12,13-diol; 13-Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021678 3-Longipinene-12,15-diol; 12-Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021679 4(15),11-Eudesmadiene-1,14-diol, 1-Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021680 4(15),11-Eudesmadiene-1,14-diol, 14-Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021681 4,11(13)-Cadinadiene-12,15-diol, 15-Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021682 4,14-Epoxy-11-eudesmen-1-ol, Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021683 4,7(11)-Muuroladiene-8,9-diol, 9-Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021684 4,9-Muuroladien-14-ol; 4?,5?-Epoxide, 15-Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021685 4-Hydroxy-10(14)-oplopen-3-one; Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021686 5,14-Epoxy-5,7(14)-lactaradiene-3,8-diol, 8-Et ether C17H26O3 278.188194 NA MeJP NA NA +MJ021687 7,15-Dihydroxy-8(14)-podocarpen-13-one; 7?-form C17H26O3 278.188194 NA MeJP NA NA +MJ021688 7-Hydroxy-10,16-heptadecadien-8-ynoic acid C17H26O3 278.188194 NA MeJP NA NA +MJ021689 8-Hydroxy-4-acoren-3-one; Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021690 8-Hydroxy-7(11)-eremophilen-12,8-olide, 8-Et ether C17H26O3 278.188194 NA MeJP NA NA +MJ021691 9,10-Dihydroxy-4,6-heptadecadiyn-3-one C17H26O3 278.188194 NA MeJP NA NA +MJ021692 9-Deoxymuzigadial acetal; 12?-form C17H26O3 278.188194 NA MeJP NA NA +MJ021693 9-Deoxymuzigadial acetal; 12?-form C17H26O3 278.188194 NA MeJP NA NA +MJ021694 9-Hydroxy-3(15),6-caryophylladien-8-one, 6,7?-Dihydro, Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021695 Antibiotic Ro 09-1547; 7',8'-Didehydro, 4-Me ether C17H26O3 278.188194 NA MeJP NA NA +MJ021696 Cyclokessol; Ac C17H26O3 278.188194 NA MeJP NA NA +MJ021697 Litsenolide B C17H26O3 278.188194 NA MeJP NA NA +MJ021698 Majorynolide C17H26O3 278.188194 NA MeJP NA NA +MJ021699 Obtusilactone C17H26O3 278.188194 NA MeJP NA NA +C10482 [6]-Paradol C17H26O3 278.1882 NA KEGG NA NA +C16792 Panaxytriol C17H26O3 278.1882 NA KEGG NA NA +EUR523 12,13-EPOME F2 F2 278.195825 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR523 12,13-EPOME F2 NA 278.195825 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR523 12,13-EPOME F2 F2 278.195825 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR523 12,13-EPOME F2 NA 278.195825 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR523 12,13-EPOME F2 F2 278.195825 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR523 12,13-EPOME F2 NA 278.195825 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR523 12,13-EPOME F2 F2 278.195825 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR523 12,13-EPOME F2 F2 278.195825 standards wishlist analysés sur QTOF HMDB NA NA +EUR523 12,13-EPOME F2 F2 278.195825 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR523 12,13-EPOME F2 NA 278.195825 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR523 12,13-EPOME F2 F2 278.195825 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR523 12,13-EPOME F2 F2 278.195825 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C09874 Lycocernuine C16H26N2O2 278.1994 NA KEGG NA NA +MJ021700 13-Hydroxylupanine; Me ether C16H26N2O2 278.199428 NA MeJP NA NA +MJ021701 2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form, Monoketone C16H26N2O2 278.199428 NA MeJP NA NA +MJ021702 Dimethocaine C16H26N2O2 278.199428 NA MeJP NA NA +MJ021703 Jamaidine, Me ether C16H26N2O2 278.199428 NA MeJP NA NA +MJ021704 Lycocernuine C16H26N2O2 278.199428 NA MeJP NA NA +MJ021705 2,3-Epoxy-1,6,10-trihydroxy-9-furanoeremophilanone, 6-(2-Methylpropanoyl), 1-Ac C21H26 278.20345 NA MeJP NA NA +EUR510 9-HODE F2 F2 278.224025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR510 9-HODE F2 NA 278.224025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR510 9-HODE F2 F2 278.224025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR510 9-HODE F2 NA 278.224025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR510 9-HODE F2 F2 278.224025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR510 9-HODE F2 NA 278.224025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR510 9-HODE F2 F2 278.224025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR510 9-HODE F2 F2 278.224025 standards wishlist analysés sur QTOF HMDB NA NA +EUR510 9-HODE F2 F2 278.224025 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR510 9-HODE F2 NA 278.224025 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR510 9-HODE F2 F2 278.224025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR510 9-HODE F2 F2 278.224025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB01388 Alpha-Linolenic acid C18H30O2 278.224579 NA HMDB2010 NA NA +HMDB03073 Gamma-Linolenic acid C18H30O2 278.224579 NA HMDB2010 NA NA +EUR126 n-3alphalinolenicacid (C18:3) C18H30O2 278.22458 Wishlist PFEM_hmdb_metabocards_urine NA urine +HMDB01388 a-Linolenic acid C18H30O2 278.22458 http://www.hmdb.ca/metabolites/HMDB01388 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03073 gamma-Linolenic acid C18H30O2 278.22458 http://www.hmdb.ca/metabolites/HMDB03073 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR126 n-3alphalinolenicacid (C18:3) C18H30O2 278.22458 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR126 n-3alphalinolenicacid (C18:3) C18H30O2 278.22458 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR126 n-3alphalinolenicacid (C18:3) C18H30O2 278.22458 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01388 a-Linolenic acid C18H30O2 278.22458 http://www.hmdb.ca/metabolites/HMDB01388 HMDB NA NA +HMDB03073 gamma-Linolenic acid C18H30O2 278.22458 http://www.hmdb.ca/metabolites/HMDB03073 HMDB NA NA +EUR126 n-3alphalinolenicacid (C18:3) C18H30O2 278.22458 Wishlist HMDB NA NA +EUR126 n-3alphalinolenicacid (C18:3) C18H30O2 278.22458 Wishlist Inhouse_PFEM NA NA +MJ021706 1-(2-Isopropyl-1-methylcyclobutyl)-4-methyl-4-nonene-1,8-dione C18H30O2 278.22458 NA MeJP NA NA +MJ021707 10-Octadecen-8-ynoic acid C18H30O2 278.22458 NA MeJP NA NA +MJ021708 11-Octadecen-9-ynoic acid C18H30O2 278.22458 NA MeJP NA NA +MJ021709 12,15-Epoxy-1,2-dinor-6,10-phytadien-3-one C18H30O2 278.22458 NA MeJP NA NA +MJ021710 13-(2-Cyclopentenyl)tridecanoic acid, 6,7-Didehydro C18H30O2 278.22458 NA MeJP NA NA +MJ021711 13-(2-Cyclopentenyl)tridecanoic acid, 4,5-Didehydro(Z-) C18H30O2 278.22458 NA MeJP NA NA +MJ021712 13-(2-Cyclopentenyl)tridecanoic acid, 9,10-Didehydro C18H30O2 278.22458 NA MeJP NA NA +MJ021713 13-Hexadecen-11-yn-1-ol, Ac C18H30O2 278.22458 NA MeJP NA NA +MJ021714 13-Hydroxy-9,11-octadecadienoic acid, Lactone C18H30O2 278.22458 NA MeJP NA NA +MJ021715 14-Hydroxy-1,2-dinor-6,10,15-phytatrien-3-one C18H30O2 278.22458 NA MeJP NA NA +MJ021716 16-Methyl-6,9,12-heptadecatrienoic acid C18H30O2 278.22458 NA MeJP NA NA +MJ021717 17-Octadecen-9-ynoic acid C18H30O2 278.22458 NA MeJP NA NA +MJ021718 19-Hydroxy-15,16-dinor-8(17)-labden-13-one C18H30O2 278.22458 NA MeJP NA NA +MJ021719 2,9,12-Octadecatrienoic acid C18H30O2 278.22458 NA MeJP NA NA +MJ021720 2-Cyclohexyl-5,9-dimethyl-4,8-decadienoic acid C18H30O2 278.22458 NA MeJP NA NA +MJ021721 2-Hydroxy-14,15-dinor-7-labden-13-one; 2?-form C18H30O2 278.22458 NA MeJP NA NA +MJ021722 3,9,12-Octadecatrienoic acid C18H30O2 278.22458 NA MeJP NA NA +MJ021723 3-Hydroxy-14,15-dinor-8(17)-labden-13-one C18H30O2 278.22458 NA MeJP NA NA +MJ021724 4,6,10-Hexadecatrien-1-ol; Ac C18H30O2 278.22458 NA MeJP NA NA +MJ021725 4,6,11-Hexadecatrien-1-ol, Ac C18H30O2 278.22458 NA MeJP NA NA +MJ021726 5,6,16-Octadecatrienoic acid C18H30O2 278.22458 NA MeJP NA NA +MJ021727 5,6-Epoxy-6,10,14-trimethyl-9,13-pentadecadien-2-one C18H30O2 278.22458 NA MeJP NA NA +MJ021728 5,9,12-Octadecatrienoic acid C18H30O2 278.22458 NA MeJP NA NA +MJ021729 6,10,14-Trimethyl-5,10-pentadecadiene-2,12-dione C18H30O2 278.22458 NA MeJP NA NA +MJ021730 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one, 13R,14-Epoxide C18H30O2 278.22458 NA MeJP NA NA +MJ021731 6,10,14-Trimethyl-5,9-pentadecadiene-2,12-dione C18H30O2 278.22458 NA MeJP NA NA +MJ021732 6,10,14-Trimethyl-5,9-pentadecadiene-2,13-dione C18H30O2 278.22458 NA MeJP NA NA +MJ021733 6,12,14-Octadecatrienoic acid C18H30O2 278.22458 NA MeJP NA NA +MJ021734 6,9,12-Octadecatrienoic acid C18H30O2 278.22458 NA MeJP NA NA +MJ021735 6-Isopropenyl-3,9-dimethyl-3,9-decadien-1-ol, Propanoyl C18H30O2 278.22458 NA MeJP NA NA +MJ021736 6-Methyl-8-(2,2,6-trimethyl-3,6-epoxycyclohexyl)-5-octen-2-one C18H30O2 278.22458 NA MeJP NA NA +MJ021737 7-Hydroxy-14,15-dinor-8(17)-labden-13-one; 7?-form C18H30O2 278.22458 NA MeJP NA NA +MJ021738 7-Octadecen-9-ynoic acid C18H30O2 278.22458 NA MeJP NA NA +MJ021739 8,10,12-Octadecatrienoic acid C18H30O2 278.22458 NA MeJP NA NA +MJ021740 8,13-Epoxy-14,15-dinor-12-labden-3-ol C18H30O2 278.22458 NA MeJP NA NA +MJ021741 8,13:13,17-Diepoxy-14,15-dinorlabdane C18H30O2 278.22458 NA MeJP NA NA +MJ021742 8-(5-Hydroxy-2,6,6-trimethyl-2-cyclohexenyl)-6-methyl-5-octen-2-one C18H30O2 278.22458 NA MeJP NA NA +MJ021743 8-Hydroxy-14,15-dinor-11-labden-13-one C18H30O2 278.22458 NA MeJP NA NA +MJ021744 9,11,13-Octadecatrienoic acid C18H30O2 278.22458 NA MeJP NA NA +MJ021745 9,12,15-Octadecatrienoic acid C18H30O2 278.22458 NA MeJP NA NA +MJ021746 9,12,17-Octadecatrienoic acid C18H30O2 278.22458 NA MeJP NA NA +MJ021747 9-Octadecen-12-ynoic acid C18H30O2 278.22458 NA MeJP NA NA +MJ021748 9-Octadecen-6-ynoic acid C18H30O2 278.22458 NA MeJP NA NA +MetaCyc02494 linolenate [linolenic acid;] C18H30O2 278.22458 463-40-1 metacyc NA NA +MetaCyc02495 crepenynate [(9Z)-octadec-9-en-12-ynoate;(Z)-9-octadecen-12-ynoic acid;crepenynic acid;] C18H30O2 278.22458 NA metacyc NA NA +HMDB01388 a-Linolenic acid C18H30O2 278.22458 http://www.hmdb.ca/metabolites/HMDB01388 PFEM_hmdb_metabocards_blood NA blood +HMDB03073 gamma-Linolenic acid C18H30O2 278.22458 http://www.hmdb.ca/metabolites/HMDB03073 PFEM_hmdb_metabocards_blood NA blood +EUR126 n-3alphalinolenicacid (C18:3) C18H30O2 278.22458 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR126 n-3alphalinolenicacid (C18:3) C18H30O2 278.22458 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB01388 a-Linolenic acid C18H30O2 278.22458 HMDB01388 PFEM_hmdb_metabocards_official NA NA +HMDB03073 gamma-Linolenic acid C18H30O2 278.22458 HMDB03073 PFEM_hmdb_metabocards_official NA NA +EUR126 n-3alphalinolenicacid (C18:3) C18H30O2 278.2246 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR126 n-3alphalinolenicacid (C18:3) C18H30O2 278.2246 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR126 n-3alphalinolenicacid (C18:3) C18H30O2 278.2246 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR126 n-3alphalinolenicacid (C18:3) C18H30O2 278.2246 Wishlist Inhousejuil11 NA NA +C06426 (6Z,9Z,12Z)-Octadecatrienoic acid C18H30O2 278.2246 NA KEGG NA NA +C06427 (9Z,12Z,15Z)-Octadecatrienoic acid C18H30O2 278.2246 NA KEGG NA NA +C07289 Crepenynate C18H30O2 278.2246 NA KEGG NA NA +C08315 (9Z,11E,13E)-Octadecatrienoic acid C18H30O2 278.2246 NA KEGG NA NA +C08364 Punicic acid C18H30O2 278.2246 NA KEGG NA NA +C15201 5beta-Estrane-3alpha,17beta-diol C18H30O2 278.2246 NA KEGG NA NA +MJ021749 Huperzine J C17H30N2O 278.235813 NA MeJP NA NA +MJ021750 2-Pentadecylfuran C19H34O 278.260965 NA MeJP NA NA +MJ021751 3,6,9-Nonadecatriene, 3R,4S-Epoxide C19H34O 278.260965 NA MeJP NA NA +MJ021752 3,6,9-Nonadecatriene, 3S,4R-Epoxide C19H34O 278.260965 NA MeJP NA NA +MJ021753 3,6,9-Nonadecatriene, 9S,10R-Epoxide C19H34O 278.260965 NA MeJP NA NA +MJ021754 6,9-Nonadecadien-3-one C19H34O 278.260965 NA MeJP NA NA +MJ021755 Phlegmarine; N,N'-Di-Me C18H34N2 278.272199 NA MeJP NA NA +MJ021756 1,3(20)-Phytadiene C20H38 278.297351 NA MeJP NA NA +MJ021757 1,3-Phytadiene C20H38 278.297351 NA MeJP NA NA +MJ021758 2,4-Phytadiene C20H38 278.297351 NA MeJP NA NA +MJ021759 3-Eicosyne C20H38 278.297351 NA MeJP NA NA +MJ021760 5-Eicosyne C20H38 278.297351 NA MeJP NA NA +MJ021761 9-Eicosyne C20H38 278.297351 NA MeJP NA NA +MJ021762 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide; 3-Bromo, 5-chloro C8H7BrClNO3 278.929783 NA MeJP NA NA +MJ021763 5-Bromo-7-chlorocavernicolin C8H7BrClNO3 278.929783 NA MeJP NA NA +MJ021764 Cavernicolin 1; 5-Debromo, 5-chloro C8H7BrClNO3 278.929783 NA MeJP NA NA +MJ021765 Brobactam C8H10BrNO3S 278.956476 NA MeJP NA NA +MJ021766 3-(6-Bromo-1H-indol-3-yl)-2-propenoic acid, Me ester C12H10BrNO2 278.989491 NA MeJP NA NA +C01783 Arylmercury C6H5Hg 279.0098 NA KEGG NA NA +MJ021767 2,4-Dihydro-6,8-dinitro-1H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one C9H5N5O6 279.023982 NA MeJP NA NA +MJ021768 7-Bromo-4-(2-ethoxyethyl)quinoline C13H14BrNO 279.025876 NA MeJP NA NA +MJ021769 Aristolactam I; O-De-Me C16H9NO4 279.053157 NA MeJP NA NA +MJ021770 Aristolactam IIIa C16H9NO4 279.053157 NA MeJP NA NA +MJ021771 Kalbretorine C16H9NO4 279.053157 NA MeJP NA NA +MJ021772 Lotrifen C16H10ClN3 279.056325 NA MeJP NA NA +MJ021773 Letosteine C10H17NO4S2 279.059899 NA MeJP NA NA +C06909 Cidofovir C8H14N3O6P 279.062 NA KEGG NA NA +MJ021774 Cidofovir C8H14N3O6P 279.062021 NA MeJP NA NA +MJ021775 Fidarestat C12H10FN3O4 279.065534 NA MeJP NA NA +MJ021776 Fexinidazole C12H13N3O3S 279.067761 NA MeJP NA NA +MJ021777 Aspartic acid, N-(4-Hydroxycinnamoyl) C13H13NO6 279.074287 NA MeJP NA NA +MJ021778 Tivanidazole C11H13N5O2S 279.078995 NA MeJP NA NA +MJ021779 Halonamine C15H15ClFNO 279.08262 NA MeJP NA NA +C02328 Tolmetin sodium C15H14NO3 279.0871 NA KEGG NA NA +PJ000157 GTC C9H17N3O5S 279.0889 NA PeJP NA NA +C10689 Graveoline C17H13NO3 279.0895 NA KEGG NA NA +MJ021780 1,2-Dihydroxydibenz[cd,f]indol-4(5H)-one; Di-Me ether C17H13NO3 279.089543 NA MeJP NA NA +MJ021781 1,2-Dihydroxydibenz[cd,f]indol-4(5H)-one; O1,N-Di-Me C17H13NO3 279.089543 NA MeJP NA NA +MJ021782 1,2-Dihydroxydibenz[cd,f]indol-4(5H)-one; O2,N-Di-Me C17H13NO3 279.089543 NA MeJP NA NA +MJ021783 1,3-Dihydroxydibenz[cd,f]indol-4(5H)-one; Di-Me ether C17H13NO3 279.089543 NA MeJP NA NA +MJ021784 4-Methoxy-2-(3,4-methylenedioxyphenyl)quinoline C17H13NO3 279.089543 NA MeJP NA NA +MJ021785 Constrictosine C17H13NO3 279.089543 NA MeJP NA NA +MJ021786 Fuseine C17H13NO3 279.089543 NA MeJP NA NA +MJ021787 Graveoline C17H13NO3 279.089543 NA MeJP NA NA +MJ021788 Napirimus C17H13NO3 279.089543 NA MeJP NA NA +MJ021789 Pratorinine; O9-Me C17H13NO3 279.089543 NA MeJP NA NA +MJ021790 Triclisine; 9-Hydroxy C17H13NO3 279.089543 NA MeJP NA NA +MJ021791 Thiamin acetic acid C12H15N4O2S 279.091571 NA MeJP NA NA +MetaCyc02496 thiamine acetate [thiamine acetic acid;3-(2’-methyl-4’-amino-5’-pyrimidylmethyl)-4-methylthiazole-5-acetate;] C12H15N4O2S1 279.091571 NA metacyc NA NA +C02892 Thiamine acetic acid C12H15N4O2S 279.0916 NA KEGG NA NA +3355 Stimulating vasoactive substance release SSS 279.096 celiac toxic Inhouse_peptide NA peptide +MJ021792 Angustmycin A C11H13N5O4 279.096753 NA MeJP NA NA +MJ021793 Neplanocin B C11H13N5O4 279.096753 NA MeJP NA NA +MJ021794 Neplanocin C C11H13N5O4 279.096753 NA MeJP NA NA +MetaCyc02497 decoyinine [] C11H13N5O4 279.096754 NA metacyc NA NA +PJ000158 SSS C9H17N3O7 279.1067 NA PeJP NA NA +MJ021795 4-Hydroxyphenylacetic acid; Nitrile, O-?-L-rhamnopyranoside C14H17NO5 279.110672 NA MeJP NA NA +MJ021796 Fenamifuril C14H17NO5 279.110672 NA MeJP NA NA +MJ021797 Narcicrinine C14H17NO5 279.110672 NA MeJP NA NA +MJ021798 Spirostaphylotrichin E C14H17NO5 279.110672 NA MeJP NA NA +MJ021799 Spirostaphylotrichin K C14H17NO5 279.110672 NA MeJP NA NA +MJ021800 Spirostaphylotrichin M C14H17NO5 279.110672 NA MeJP NA NA +MJ021801 Spirostaphylotrichin O; 4-Ketone C14H17NO5 279.110672 NA MeJP NA NA +MJ021802 Spirostaphylotrichin Q C14H17NO5 279.110672 NA MeJP NA NA +MJ021803 Spirostaphylotrichin S; Stereoisomer C14H17NO5 279.110672 NA MeJP NA NA +MJ021804 Triticone A; 4-Alcohol C14H17NO5 279.110672 NA MeJP NA NA +7683 ACE inhibitor from garlic NF 279.1109 ACE inhibitor Inhouse_peptide NA peptide +PJ000159 NF C13H17N3O4 279.1219 NA PeJP NA NA +MJ021805 Manzacidin B; Debromo, 5-deoxy, N'-Me C13H17N3O4 279.121906 NA MeJP NA NA +MJ021806 1H-Indole-3-propanoic acid; Benzyl ester C18H17NO2 279.125928 NA MeJP NA NA +MJ021807 3,4-Dihydro-3-hydroxy-1-methyl-4,5-diphenyl-2(1H)-pyridinone C18H17NO2 279.125928 NA MeJP NA NA +MJ021808 3-Hydroxy-4-(1H-indol-3-yl)-1-phenyl-2-butanone C18H17NO2 279.125928 NA MeJP NA NA +MJ021809 Clausanitine C18H17NO2 279.125928 NA MeJP NA NA +MJ021810 Clausine D C18H17NO2 279.125928 NA MeJP NA NA +MJ021811 Dehydronuciferine; N-De-Me C18H17NO2 279.125928 NA MeJP NA NA +MJ021812 Euchrestifoline C18H17NO2 279.125928 NA MeJP NA NA +MJ021813 Eustifoline A; 2-Hydroxy C18H17NO2 279.125928 NA MeJP NA NA +MJ021814 Girinimbine; 7-Hydroxy C18H17NO2 279.125928 NA MeJP NA NA +MJ021815 Heptaphylline C18H17NO2 279.125928 NA MeJP NA NA +MJ021816 Koenine C18H17NO2 279.125928 NA MeJP NA NA +MJ021817 Lirinidine, 6a,7-Didehydro C18H17NO2 279.125928 NA MeJP NA NA +MJ021818 N-4-Methoxystyrylcinnamide C18H17NO2 279.125928 NA MeJP NA NA +MJ021819 N-Methyl-N-(2-phenylethenyl)-3-phenyl-2-oxiranecarboxamide C18H17NO2 279.125928 NA MeJP NA NA +MJ021820 Pyrayafoline A; O-De-Me C18H17NO2 279.125928 NA MeJP NA NA +MJ021821 Pyrayafoline B C18H17NO2 279.125928 NA MeJP NA NA +MJ021822 Roemerine C18H17NO2 279.125928 NA MeJP NA NA +MJ021823 3,4,4a,5,10,10a-Hexahydro-6-methoxy-4-methyl-9-(methylthio)-2H-naphth[2,3-b]-1,4-oxazine C15H21NO2S 279.129299 NA MeJP NA NA +MJ021824 Theophylline; N7-Morpholinomethyl C12H17N5O3 279.133139 NA MeJP NA NA +3585 NA PQAFP 279.1335 MH2+ Inhouse_peptide NA peptide +MJ021825 Ramosetron C17H17N3O 279.137162 NA MeJP NA NA +2618 synthetic fr,of human beta-CN (97-101) ACE inhibitor GRVMP 279.1412 MH2+ Inhouse_peptide NA peptide +MJ021826 4-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-2,6-piperidinedione, 1,6-Didehydro C15H21NO4 279.147058 NA MeJP NA NA +MJ021827 4-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-2,6-piperidinedione, ?-Ketone C15H21NO4 279.147058 NA MeJP NA NA +MJ021828 Afurolol C15H21NO4 279.147058 NA MeJP NA NA +MJ021829 Anisomycin, O-De-Ac, 3-propanoyl C15H21NO4 279.147058 NA MeJP NA NA +MJ021830 Choline; O-(3-Hydroxy-4-methoxycinnamoyl) C15H22NO4(+) 279.147058 NA MeJP NA NA +MJ021831 Choline; O-(4-Hydroxy-3-methoxycinnamoyl) C15H22NO4(+) 279.147058 NA MeJP NA NA +C10947 Metalaxyl C15H21NO4 279.1471 NA KEGG NA NA +MJ021832 4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-2H-benzimidazol-2-one C14H21N3O3 279.158291 NA MeJP NA NA +MJ021833 Oxamniquine C14H21N3O3 279.158291 NA MeJP NA NA +C07341 Oxamniquine C14H21N3O3 279.1583 NA KEGG NA NA +C06971 Doxepin C19H21NO 279.1623 NA KEGG NA NA +MJ021834 10-Hydroxynortriptyline C19H21NO 279.162314 NA MeJP NA NA +MJ021835 2,4,6,12-Tetradecatetraene-8,10-diynoic acid, Piperidide C19H21NO 279.162314 NA MeJP NA NA +MJ021836 2,4-Tetradecadiene-8,10,12-triynoic acid, Piperidide C19H21NO 279.162314 NA MeJP NA NA +MJ021837 Clausenapin C19H21NO 279.162314 NA MeJP NA NA +MJ021838 Doxepin C19H21NO 279.162314 NA MeJP NA NA +MJ021839 N-(1,2,3,4-Tetrahydro-4-phenyl-2-naphthalenyl)propanamide C19H21NO 279.162314 NA MeJP NA NA +MJ021840 10-Isothiocyanato-5-amorphen-1-ol C16H25NOS 279.165685 NA MeJP NA NA +MJ021841 Decahydro-6-[2-(1H-tetrazol-5-yl)ethyl]-3-isoquinolinecarboxylic acid C13H21N5O2 279.169524 NA MeJP NA NA +MJ021842 Etamiphylline C13H21N5O2 279.169524 NA MeJP NA NA +MJ021843 Sibutramine C17H26ClN 279.175377 NA MeJP NA NA +C07247 Sibutramine C17H26ClN 279.1754 NA KEGG NA NA +C07248 Transferred to D00431 C17H26ClN 279.1754 NA KEGG NA NA +C07249 Transferred to D00432 C17H26ClN 279.1754 NA KEGG NA NA +C09901 Serratine C16H25NO3 279.1834 NA KEGG NA NA +MJ021844 3,4-Dihydroxybenzylamine; 3-Me ether, N-octanoyl C16H25NO3 279.183443 NA MeJP NA NA +MJ021845 Dendrobine, 2-Hydroxy C16H25NO3 279.183443 NA MeJP NA NA +MJ021846 Dendrobine, 6-Hydroxy C16H25NO3 279.183443 NA MeJP NA NA +MJ021847 Dendrobine, N-Oxide C16H25NO3 279.183443 NA MeJP NA NA +MJ021848 Fawcettimine; Natural-form, 4-Hydroxy C16H25NO3 279.183443 NA MeJP NA NA +MJ021849 Lycodoline; 6?-Hydroxy C16H25NO3 279.183443 NA MeJP NA NA +MJ021850 Moxisylyte C16H25NO3 279.183443 NA MeJP NA NA +MJ021851 Serratezomine A C16H25NO3 279.183443 NA MeJP NA NA +MJ021852 Serratine C16H25NO3 279.183443 NA MeJP NA NA +MJ021853 Serratinine C16H25NO3 279.183443 NA MeJP NA NA +MJ021854 Histamine; ?-N-(4-Oxodecanoyl) C15H25N3O2 279.194677 NA MeJP NA NA +MJ021855 1-Isopropyl-4,4-diphenylpiperidine C20H25N 279.198699 NA MeJP NA NA +MJ021856 Fenpiprane C20H25N 279.198699 NA MeJP NA NA +MJ021857 4-Dodecyl-1H-pyrrole-2-carboxylic acid C17H29NO2 279.219829 NA MeJP NA NA +MJ021858 Cryptophorinine C17H29NO2 279.219829 NA MeJP NA NA +MJ021859 Micropine C17H29NO2 279.219829 NA MeJP NA NA +MJ021860 Nupharamine, Et ether C17H29NO2 279.219829 NA MeJP NA NA +MJ021861 Poranthericine; 1-Epimer, Ac C17H29NO2 279.219829 NA MeJP NA NA +MJ021862 Poranthericine; Ac C17H29NO2 279.219829 NA MeJP NA NA +MJ021863 2,4-Tetradecadienoic acid, 2-Methylpropylamide C18H33NO 279.256214 NA MeJP NA NA +MJ021864 Mantella Alkaloid 279D C18H33NO 279.256214 NA MeJP NA NA +MJ021865 2,5-Dialkylpyrrolidines; 2-(5-Hexenyl)-5-nonylpyrrolidine C19H37N 279.2926 NA MeJP NA NA +MJ021866 2,5-Dialkylpyrrolidines; 2-Ethyl-5-(12-tridecenyl)pyrrolidine C19H37N 279.2926 NA MeJP NA NA +MJ021867 2-Methyl-6-tridecylpiperidine, 4',5'-Didehydro (Z-) C19H37N 279.2926 NA MeJP NA NA +8235 Antioxidative peptide AGWNI 279.63195 MH2+ Inhouse_peptide NA peptide +MJ021868 2,2,2-Tribromoethanol C2H3Br3O 279.773402 NA MeJP NA NA +MJ021869 2,6-Dibromo-1,4-benzenediol; 1-Me ether C7H6Br2O2 279.873454 NA MeJP NA NA +MJ021870 2,6-Dibromo-1,4-benzenediol; 4-Me ether C7H6Br2O2 279.873454 NA MeJP NA NA +MJ021871 3,5-Dibromo-4-hydroxybenzyl alcohol C7H6Br2O2 279.873454 NA MeJP NA NA +MJ021872 4-Bromo-5-(chloromethylene)-3-(1-hydroxybutyl)-2(5H)-furanone C9H10BrClO3 279.950184 NA MeJP NA NA +MJ021873 Diphenyliodonium(1+) C12H10I(+) 279.974893 NA MeJP NA NA +MJ021874 Thiarubrin E; 1-Deoxy, 1-chloro C13H9ClOS2 279.978333 NA MeJP NA NA +MJ021875 Thiarubrin E; 2-Deoxy, 2-chloro C13H9ClOS2 279.978333 NA MeJP NA NA +C02740 Photinus luciferin C11H8N2O3S2 279.9976 NA KEGG NA NA +MJ021876 Photinus Luciferin C11H8N2O3S2 279.997633 NA MeJP NA NA +MetaCyc02498 photinus luciferin [] C11H8N2O3S2 279.997634 NA metacyc NA NA +MJ021877 Bis(4'-chlorophenyl)acetate C14H10Cl2O2 280.005785 NA MeJP NA NA +C06640 Bis(4'-chlorophenyl)acetate C14H10Cl2O2 280.0058 NA KEGG NA NA +C14238 1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene C14H10Cl2O2 280.0058 NA KEGG NA NA +MJ021878 6-Bromotryptamine; Nb-Me, Nb-formyl C12H13BrN2O 280.021125 NA MeJP NA NA +MJ021879 2-Acetyl-3,5,6,7,8-pentahydroxy-1,4-naphthoquinone C12H8O8 280.021917 NA MeJP NA NA +C01964 Tos-Ph-CH2Cl C14H13ClO2S 280.0325 NA KEGG NA NA +MJ021880 Frutinone A; 11-Hydroxy C16H8O5 280.037173 NA MeJP NA NA +CJneg0493 Pseudouridine [(M+Cl)]- C9H12ClN2O6 280.046725 C18rt(min)=1.05 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0493 Pseudouridine [(M+Cl)]- C9H12ClN2O6 280.046725 C18rt(min)=1.05 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ021881 Supidimide C12H12N2O4S 280.051777 NA MeJP NA NA +MJ021882 2,3,4-Trihydroxybutanoic acid, 1,4-Lactone, 2-O-(3,4-dihydroxycinnamoyl) C13H12O7 280.058302 NA MeJP NA NA +MJ021883 2,3,5,6,8-Pentahydroxy-1,4-naphthoquinone; 2,3,6-Tri-Me ether C13H12O7 280.058302 NA MeJP NA NA +MJ021884 6-Ethyl-2,3,5,7,8-pentahydroxy-1,4-naphthoquinone; 2-Me ether C13H12O7 280.058302 NA MeJP NA NA +MJ021885 6-Ethyl-2,3,5,7,8-pentahydroxy-1,4-naphthoquinone; 3-Me ether C13H12O7 280.058302 NA MeJP NA NA +MJ021886 Arthrinone C13H12O7 280.058302 NA MeJP NA NA +MJ021887 Diaporthinic acid C13H12O7 280.058302 NA MeJP NA NA +MJ021888 Malic acid, O-(4-Hydroxycinnamoyl) C13H12O7 280.058302 NA MeJP NA NA +MJ021889 Monocerolide C13H12O7 280.058302 NA MeJP NA NA +MJ021890 Pereflorin B C13H12O7 280.058302 NA MeJP NA NA +C12540 Sulfamonomethoxine C11H12N4O3S 280.063 NA KEGG NA NA +C12541 Transferred to D01142 C11H12N4O3S 280.063 NA KEGG NA NA +C12542 Transferred to D01143 C11H12N4O3S 280.063 NA KEGG NA NA +C12543 Transferred to D01144 C11H12N4O3S 280.063 NA KEGG NA NA +C12544 Transferred to D01145 C11H12N4O3S 280.063 NA KEGG NA NA +C12546 Transferred to D01146 C11H12N4O3S 280.063 NA KEGG NA NA +C12547 Transferred to D01147 C11H12N4O3S 280.063 NA KEGG NA NA +C12548 Transferred to D01148 C11H12N4O3S 280.063 NA KEGG NA NA +C12549 Transferred to D01149 C11H12N4O3S 280.063 NA KEGG NA NA +C12550 Transferred to D01150 C11H12N4O3S 280.063 NA KEGG NA NA +C12551 Transferred to D01151 C11H12N4O3S 280.063 NA KEGG NA NA +C12616 Sulfamethopyrazine C11H12N4O3S 280.063 NA KEGG NA NA +C12617 Transferred to D01217 C11H12N4O3S 280.063 NA KEGG NA NA +C12618 Transferred to D01218 C11H12N4O3S 280.063 NA KEGG NA NA +C12619 Transferred to D01219 C11H12N4O3S 280.063 NA KEGG NA NA +C12620 Transferred to D01220 C11H12N4O3S 280.063 NA KEGG NA NA +MJ021891 Sulfalene C11H12N4O3S 280.06301 NA MeJP NA NA +MJ021892 Sulfamethoxypyridazine C11H12N4O3S 280.06301 NA MeJP NA NA +MJ021893 Sulfametoxydiazine C11H12N4O3S 280.06301 NA MeJP NA NA +MJ021894 Sulfamonomethoxine C11H12N4O3S 280.06301 NA MeJP NA NA +CJpos0678 Oxoproline [(2M+Na)]+ C10H14N2NaO6 280.066575 C18rt(min)=1.05 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0678 Oxoproline [(2M+Na)]+ C10H14N2NaO6 280.066575 C18rt(min)=1.05 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ021895 Methoxybrassenin A C13H16N2OS2 280.070404 NA MeJP NA NA +MJ021896 N-?-Glutamylcysteine; L-L-form, S-Me, S-oxide C9H16N2O6S 280.072906 NA MeJP NA NA +FLID1ANF0001 Neodunol C17H12O4 280.07355 53766-53-3 knapsack NA NA +MJ021897 3,5,7,9,11-Tridecapentayne-1,2-diol; Di-Ac C17H12O4 280.073558 NA MeJP NA NA +MJ021898 3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one C17H12O4 280.073558 NA MeJP NA NA +MJ021899 4-Oxo-2-phenyl-4H-1-benzopyran-8-acetic acid C17H12O4 280.073558 NA MeJP NA NA +MJ021900 7-Hydroxy-2H-1-benzopyran-2-one; O-(Phenylacetyl) C17H12O4 280.073558 NA MeJP NA NA +MJ021901 Neodunol C17H12O4 280.073558 NA MeJP NA NA +MJ021902 Nortanshinone C17H12O4 280.073558 NA MeJP NA NA +MJ021903 Rubrolide E C17H12O4 280.073558 NA MeJP NA NA +MJ021904 Esonarimod C14H16O4S 280.076929 NA MeJP NA NA +MJ021905 Methyl ?-D-glucopyranoside; 6-O-Malonyl C10H16O9 280.079432 NA MeJP NA NA +MJ021906 12-Bromo-4(13),6,9-lauratriene C15H21Br 280.082663 NA MeJP NA NA +MJ021907 ?-Bromocuparene C15H21Br 280.082663 NA MeJP NA NA +MJ021908 1,11-Dimethoxycanthin-6-one C16H12N2O3 280.084792 NA MeJP NA NA +MJ021909 10-Hydroxy-9-methoxycanthin-6-one; Me ether C16H12N2O3 280.084792 NA MeJP NA NA +MJ021910 2-(4-Hydroxybenzoyl)-4(5)-(4-hydroxyphenyl)-1H-imidazole C16H12N2O3 280.084792 NA MeJP NA NA +MJ021911 5,11-Dimethoxycanthin-6-one C16H12N2O3 280.084792 NA MeJP NA NA +MJ021912 5,9-Dimethoxycanthin-6-one C16H12N2O3 280.084792 NA MeJP NA NA +MJ021913 9-Methoxy-3-methyl-5,6-canthindione C16H12N2O3 280.084792 NA MeJP NA NA +MJ021914 Eupolauramine; 10-Hydroxy C16H12N2O3 280.084792 NA MeJP NA NA +MJ021915 Nigakinone; Me ether C16H12N2O3 280.084792 NA MeJP NA NA +MJ021916 Picrasidine O C16H12N2O3 280.084792 NA MeJP NA NA +C16996 Methyl nigakinone C16H12N2O3 280.0848 NA KEGG NA NA +MJ021917 4-Oxo-2,11(13)-pseudoguaiadien-12,6-olide, 3-Chloro C15H17ClO3 280.086622 NA MeJP NA NA +MJ021918 Osthenol; 2',3'-Dihydro, 3'-chloro, Me ether C15H17ClO3 280.086622 NA MeJP NA NA +PJ000160 MM C10H20N2O3S2 280.0915 NA PeJP NA NA +MetaCyc02499 adenosine 5'-carboxamide [] C10H12N6O4 280.092003 NA metacyc NA NA +MJ021919 1,2,3-Cyclopentanetriol, 2-O-(3,4-Dihydroxycinnamoyl)(E-) C14H16O6 280.094688 NA MeJP NA NA +MJ021920 1,2,3-Cyclopentanetriol, 1-O-(3,4-Dihydroxycinnamoyl)(E-) C14H16O6 280.094688 NA MeJP NA NA +MJ021921 2,5,10-Trihydroxy-p-mentha-1,3,5,8-tetraene-9-carboxylic acid; 8Z-form, 2-Ac, Me ester C14H16O6 280.094688 NA MeJP NA NA +MJ021922 2-Hydroxy-3-methylbutanoic acid, O-(3,4-Methylenedioxybenzoyl), Me ester C14H16O6 280.094688 NA MeJP NA NA +MJ021923 Caleteucrin; 7-Methoxy C14H16O6 280.094688 NA MeJP NA NA +MJ021924 Citreoisocoumarinol C14H16O6 280.094688 NA MeJP NA NA +MJ021925 Citreoviranol; O-De-Me C14H16O6 280.094688 NA MeJP NA NA +MJ021926 Globoscin C14H16O6 280.094688 NA MeJP NA NA +MJ021927 Gravolenic acid C14H16O6 280.094688 NA MeJP NA NA +MJ021928 Zhebeiresinol C14H16O6 280.094688 NA MeJP NA NA +MJ021929 Fanetizole C17H16N2S 280.103419 NA MeJP NA NA +PJ000161 DF C13H16N2O5 280.1059 NA PeJP NA NA +MJ021930 4-Hydroxyphenylacetylglutamine C13H16N2O5 280.105921 NA MeJP NA NA +MJ021931 Giganticine C13H16N2O5 280.105921 NA MeJP NA NA +HMDB00706 L-Aspartyl-L-phenylalanine C13H16N2O5 280.105927 NA HMDB2010 NA NA +HMDB11167 L-beta-aspartyl-L-phenylalanine C13H16N2O5 280.105927 NA HMDB2010 NA NA +HMDB00706 L-Aspartyl-L-phenylalanine C13H16N2O5 280.10593 http://www.hmdb.ca/metabolites/HMDB00706 PFEM_hmdb_metabocards_urine NA urine +HMDB00706 L-Aspartyl-L-phenylalanine C13H16N2O5 280.10593 http://www.hmdb.ca/metabolites/HMDB00706 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00706 L-Aspartyl-L-phenylalanine C13H16N2O5 280.10593 http://www.hmdb.ca/metabolites/HMDB00706 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00706 L-Aspartyl-L-phenylalanine C13H16N2O5 280.10593 http://www.hmdb.ca/metabolites/HMDB00706 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00706 L-Aspartyl-L-phenylalanine C13H16N2O5 280.10593 http://www.hmdb.ca/metabolites/HMDB00706 HMDB NA NA +HMDB00706 L-Aspartyl-L-phenylalanine C13H16N2O5 280.10593 http://www.hmdb.ca/metabolites/HMDB00706 PFEM_hmdb_metabocards_blood NA blood +HMDB00706 L-Aspartyl-L-phenylalanine C13H16N2O5 280.10593 HMDB00706 PFEM_hmdb_metabocards_official NA NA +MJ021932 1,12-Diisothiocyanato-1,11-dodecadiene C14H20N2S2 280.10679 NA MeJP NA NA +MJ021933 Simendan C14H12N6O 280.107259 NA MeJP NA NA +MJ021934 Flumecinol C16H15F3O 280.107499 NA MeJP NA NA +C08485 2-(4-Methoxyphenethyl)chromone C18H16O3 280.1099 NA KEGG NA NA +C15191 (2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone C18H16O3 280.1099 NA KEGG NA NA +MJ021935 2-(4-Hydroxyphenyl)-5-(1-propenyl)benzofuran; 2'-Hydroxy, 4'-Me ether C18H16O3 280.109944 NA MeJP NA NA +MJ021936 2-(4-Hydroxyphenyl)-5-(1-propenyl)benzofuran; 7-Methoxy C18H16O3 280.109944 NA MeJP NA NA +MJ021937 2-(4-Hydroxyphenyl)-5-(2-hydroxypropyl)-3-methylbenzofuran, 2'-Ketone C18H16O3 280.109944 NA MeJP NA NA +MJ021938 2-[2-(4-Hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one; Me ether C18H16O3 280.109944 NA MeJP NA NA +MJ021939 4-[5-(4-Hydroxyphenoxy)-3-penten-1-ynyl]phenol, 4''-Me ether C18H16O3 280.109944 NA MeJP NA NA +MJ021940 6,7-Dihydroxy-1-(4-hydroxyphenyl)-2,3-dimethylnaphthalene C18H16O3 280.109944 NA MeJP NA NA +MJ021941 6-Hydroxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one; 6-Me ether C18H16O3 280.109944 NA MeJP NA NA +MJ021942 6-Hydroxy-7,9-octadecadiene-11,13,15,17-tetraynoic acid C18H16O3 280.109944 NA MeJP NA NA +MJ021943 7-Hydroxyisoflavone; Isopropyl ether C18H16O3 280.109944 NA MeJP NA NA +MJ021944 8-Methoxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one C18H16O3 280.109944 NA MeJP NA NA +MJ021945 9,10-Dihydro-7-hydroxy-8-methyl-4-vinyl-1-phenanthrenecarboxylic acid C18H16O3 280.109944 NA MeJP NA NA +MJ021946 9,10-Dihydro-7-hydroxy-8-methyl-4-vinyl-2-phenanthrenecarboxylic acid C18H16O3 280.109944 NA MeJP NA NA +MJ021947 Danshenxinkun B C18H16O3 280.109944 NA MeJP NA NA +MJ021948 Methylenedihydrotanshinquinone C18H16O3 280.109944 NA MeJP NA NA +MJ021949 Phenprocoumon C18H16O3 280.109944 NA MeJP NA NA +MJ021950 Randainal C18H16O3 280.109944 NA MeJP NA NA +MJ021951 Ratanhiaphenol III C18H16O3 280.109944 NA MeJP NA NA +MJ021952 Tanshinone I; 1,2,15,16-Tetrahydro C18H16O3 280.109944 NA MeJP NA NA +MJ021953 2-Hydroxymethyl-2-butene-1,4-diol; 1-O-?-D-Allopyranoside C11H20O8 280.115817 NA MeJP NA NA +MJ021954 4-O-?-D-Xylopyranosyl-D-digitoxose C11H20O8 280.115817 NA MeJP NA NA +MJ021955 Adecypenol C12H16N4O4 280.117155 NA MeJP NA NA +PARAC006 Benzothiazine compound NA 280.1178 RT5.5 PFEM_hmdb_metabocards_urine NA urine +PARAC006 Benzothiazine compound NA 280.1178 RT5.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC006 Benzothiazine compound NA 280.1178 RT5.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC006 Benzothiazine compound NA 280.1178 RT5.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC006 Benzothiazine compound NA 280.1178 RT5.5 HMDB NA NA +PARAC006 Benzothiazine compound NA 280.1178 RT5.5 Inhouse_PFEM NA NA +PARAC006 Benzothiazine compound NA 280.1178 RT5.5 PFEM_hmdb_metabocards_blood NA blood +PARAC006 Benzothiazine compound NA 280.1178 RT5.5 PFEM_hmdb_metabocards_official NA NA +MJ021956 1-Methyl-3-(2-phenylethyl)-2,4(1H,3H)-quinazolinedione C17H16N2O2 280.121177 NA MeJP NA NA +MJ021957 Cyclopeptine C17H16N2O2 280.121177 NA MeJP NA NA +MJ021958 Harmalacinine C17H16N2O2 280.121177 NA MeJP NA NA +MJ021959 Tubermycin A C17H16N2O2 280.121177 NA MeJP NA NA +MJ021960 Xinidamine C17H16N2O2 280.121177 NA MeJP NA NA +MJ021961 2-Ethyl-7-fluoro-3,4-dihydro-3-oxo-1(2H)-quinoxalinecarboxylic acid, Isopropyl ester C14H17FN2O3 280.12232 NA MeJP NA NA +MJ021962 3-Azabicyclo[3.2.2]nonane; N-(4-Aminobenzenesulfonyl) C14H20N2O2S 280.124548 NA MeJP NA NA +3492 ACE inhibitor from sake VY 280.131 ACE inhibitor Inhouse_peptide NA peptide +8224 antioxidative peptide VY 280.131 NA ;SYN:(-)-a-Amino-p-hydroxyhydrocinnamate; (-)-a-Amino-p-hydroxyhydrocinnamic acid; (-)-alpha-Amino-p-hydroxyhydrocinnamate; (-)-alpha-Amino-p-hydroxyhydrocinnamic acid; (S)-(-)-Tyrosine; (S)-2-Amino-3-(p-hydroxyphenyl)propionate; (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid; (S)-3-(p-Hydroxyphenyl)alanine; (S)-Tyrosine; (S)-a-Amino-4-hydroxybenzenepropanoate; (S)-a-Amino-4-hydroxybenzenepropanoic acid; (S)-a-amino-4-hydroxy-Benzenepropanoate; (S)-a-amino-4-hydroxy-Benzenepropanoic acid; (S)-alpha-amino-4-hydroxy-Benzenepropanoate; (S)-alpha-amino-4-hydroxy-Benzenepropanoic acid; 2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoate; 2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoic acid; 3-(4-Hydroxyphenyl)-L-alanine; 4-hydroxy-L-Phenylalanine; Benzenepropanoate; Benzenepropanoic acid; L-p-Tyrosine; L-tyrosine; Tyr; Tyrosine; p-Tyrosine; (S)-alpha-Amino-4-hydroxybenzenepropanoate; (S)-alpha-Amino-4-hydroxybenzenepropanoic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +MJ021963 1,10-Epoxy-3-guaien-12,6-olide, ?2 Isomer, 4?-hydroperoxy C15H20O5 280.131073 NA MeJP NA NA +MJ021964 1,10-Epoxy-3-guaien-12,6-olide, ?4-Isomer, 3-hydroperoxy C15H20O5 280.131073 NA MeJP NA NA +MJ021965 1,10-Epoxy-6,8-dihydroxy-7(11)-eremophilen-12,8-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021966 1,10-Epoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021967 1,10:4,5-Diepoxy-8-hydroxy-7(11)-germacren-12,8-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021968 1,2,11-Trihydroxy-12-oxo-7-drimen-15,11-olide, 2-Deoxy C15H20O5 280.131073 NA MeJP NA NA +MJ021969 1,2,4-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ketone C15H20O5 280.131073 NA MeJP NA NA +MJ021970 1,3,8-Trihydroxy-4,11(13)-eudesmadien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021971 1,3-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 3-Hydroperoxide C15H20O5 280.131073 NA MeJP NA NA +MJ021972 1,4,10-Trihydroxy-2,11(13)-guaiadien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021973 1,4,10-Trihydroxy-7(11),8-guaiadien-12,8-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021974 1,4-Epoxy-5,6-dihydroxy-1(10),11(13)-germacradien-12,8-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021975 1,5-Epoxy-4,6-dihydroxy-10(14),11(13)-germacradien-12,8-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021976 1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide, 1-Hydroperoxide C15H20O5 280.131073 NA MeJP NA NA +MJ021977 1,8,11-Trihydroxy-3,10(14)-guaiadien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021978 1,8-Dihydroxy-15-oxo-11(13)-eudesmen-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021979 1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Hydroperoxide C15H20O5 280.131073 NA MeJP NA NA +MJ021980 1-(2,3,4,5-Tetrahydroxyphenyl)-2-penten-1-one, Tetra-Me ether C15H20O5 280.131073 NA MeJP NA NA +MJ021981 10,13-Dihydroxy-4-oxo-7(11)-pseudoguaien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021982 10,15-Dihydroxy-2-oxo-3-guaien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021983 10-Hydroperoxy-4-hydroxy-1,11(13)-guaiadien-12,8-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021984 10-Hydroxy-3-oxo-1,11(13)-eremophiladien-12-oic acid; 10?-form, 10-Hydroperoxide C15H20O5 280.131073 NA MeJP NA NA +MJ021985 11,12-Epoxy-4,13-dihydroxy-9-trichothecen-8-one C15H20O5 280.131073 NA MeJP NA NA +MJ021986 11,13-Dihydroxy-3-oxo-10(14)-guaien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021987 11,13-Dihydroxy-4-oxo-1(5),2-xanthadien-12,8-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021988 11,13-Dihydroxy-4-oxo-2-pseudoguaien-12,8-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021989 13-Hydroxyripariochromene A; 7-Me ether, 1' alcohol C15H20O5 280.131073 NA MeJP NA NA +MJ021990 2',3',4',6'-Tetrahydroxyacetophenone; 4'-O-(3-Methyl-2-butenyl), 2',6'-di-Me ether C15H20O5 280.131073 NA MeJP NA NA +MJ021991 2,3-Epoxy-4,10-dihydroxy-11(13)-guaien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021992 2,3-Epoxy-4,6-dihydroxy-11(13)-pseudoguaien-12,8-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021993 2,4,10-Trihydroxy-1(5)-guaien-12,6-olide, 2-Ketone C15H20O5 280.131073 NA MeJP NA NA +MJ021994 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone C15H20O5 280.131073 NA MeJP NA NA +MJ021995 2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 4-Ketone, 1?,5?-epoxide C15H20O5 280.131073 NA MeJP NA NA +MJ021996 2,5,10-Trihydroxy-3,11(13)-guaiadien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021997 2,5-Epoxy-7-deoxypseudoanisatin C15H20O5 280.131073 NA MeJP NA NA +MJ021998 3,11,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ021999 3,4,8-Trihydroxy-1(10),11(13)-guaiadien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ022000 3,4,9-Trihydroxy-1(10)-guaien-12,8-olide, 9-Ketone C15H20O5 280.131073 NA MeJP NA NA +MJ022001 3,5-Dihydroxy-4(15),10(14)-guaiadien-12,8-olide, 10?,14-Epoxide C15H20O5 280.131073 NA MeJP NA NA +MJ022002 3,5-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-Hydroperoxide C15H20O5 280.131073 NA MeJP NA NA +MJ022003 3,8,10-Trihydroxy-4(15),11(13)-guaiadien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ022004 3,9,10-Trihydroxy-4,11(13)-guaiadien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ022005 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 4-Hydroxy-3-methylbutyl ester C15H20O5 280.131073 NA MeJP NA NA +MJ022006 4,15-Dihydroxy-3-oxo-10(14)-guaien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ022007 4,15:6,7-Diepoxy-1,8-dihydroxy-5-hirsutanone C15H20O5 280.131073 NA MeJP NA NA +MJ022008 4,5-Epoxy-1,6-dihydroxy-10(14),11(13)-germacradien-12,8-olide C15H20O5 280.131073 NA MeJP NA NA +MJ022009 4,5-Epoxy-1,6-dihydroxy-9,11(13)-germacradien-12,8-olide C15H20O5 280.131073 NA MeJP NA NA +MJ022010 4,5-Epoxy-1-hydroperoxy-10(14),11(13)-germacradien-12,8-olide C15H20O5 280.131073 NA MeJP NA NA +MJ022011 4,5-Epoxy-1-hydroxy-10(14),11(13)-germacradien-12,6-olide, 1-Hydroperoxide C15H20O5 280.131073 NA MeJP NA NA +MJ022012 4,5-Epoxy-10-hydroxy-3-oxo-1-germacren-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ022013 4,8-Dihydroxy-1-oxo-2-eudesmen-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ022014 4,9,10-Trihydroxy-1,11(13)-guaiadien-12,8-olide C15H20O5 280.131073 NA MeJP NA NA +MJ022015 4,9,10-Trihydroxy-2,11(13)-guaiadien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ022016 4-Hydroxy-1-oxo-2-eudesmen-12,6-olide, 4-Hydroperoxide C15H20O5 280.131073 NA MeJP NA NA +MJ022017 5,12,14-Trihydroxy-3-cedren-15-oic acid, 14-Aldehyde C15H20O5 280.131073 NA MeJP NA NA +MJ022018 5,14-Epoxy-3,8-dihydroxy-5,7(14)-illudaladien-4-oic acid C15H20O5 280.131073 NA MeJP NA NA +MJ022019 5,9-Dihydroxy-1-oxo-10(14),4(15)-germacradien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ022020 5-Hydroxy-14-oxo-3-cedren-15-oic acid, 14-Carboxylic acid C15H20O5 280.131073 NA MeJP NA NA +MJ022021 6,13-Dihydroxy-3-oxo-1(10),7(11)-germacradien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ022022 7,8-Epoxy-6-hydroxy-1-oxo-12,8-eremophilanolide C15H20O5 280.131073 NA MeJP NA NA +MJ022023 8,10,15-Trihydroxy-3,11(13)-guaiadien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ022024 8,10-Dihydroxy-2-oxo-3-guaien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ022025 8,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 4?,15-Epoxide C15H20O5 280.131073 NA MeJP NA NA +MJ022026 8,13-Dihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 4?,5?-Epoxide C15H20O5 280.131073 NA MeJP NA NA +MJ022027 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ022028 8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 4?,5?-Epoxide C15H20O5 280.131073 NA MeJP NA NA +MJ022029 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H20O5 280.131073 NA MeJP NA NA +MJ022030 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro C15H20O5 280.131073 NA MeJP NA NA +MJ022031 8,9,10-Trihydroxy-3,11(13)-guaiadien-12,6-olide C15H20O5 280.131073 NA MeJP NA NA +MJ022032 8,9-Dihydroxy-3-oxo-10(14)-guaien-12,6-olide; 1?,4?H,5?,6?,8?,9?,11?H-form C15H20O5 280.131073 NA MeJP NA NA +MJ022033 8-Hydroxy-1-oxo-4-eudesmen-12,6-olide, 4?,5?-Epoxide C15H20O5 280.131073 NA MeJP NA NA +MJ022034 Abscisic acid, 13-Hydroxy C15H20O5 280.131073 NA MeJP NA NA +MJ022035 Abscisic acid, 14-Hydroxy C15H20O5 280.131073 NA MeJP NA NA +MJ022036 Altamisic acid C15H20O5 280.131073 NA MeJP NA NA +MJ022037 Antibiotic WAP 4068A; Antibiotic WAP 4068A3 C15H20O5 280.131073 NA MeJP NA NA +MJ022038 Antibiotic WAP 4068A; Antibiotic WAP 4068A4 C15H20O5 280.131073 NA MeJP NA NA +MJ022039 Artemisinin; 11,13-Didehydro C15H20O5 280.131073 NA MeJP NA NA +MJ022040 Canambrin C15H20O5 280.131073 NA MeJP NA NA +MJ022041 Crispolide C15H20O5 280.131073 NA MeJP NA NA +MJ022042 Flakinin A C15H20O5 280.131073 NA MeJP NA NA +MJ022043 Heptelidic acid C15H20O5 280.131073 NA MeJP NA NA +MJ022044 Illicinone E C15H20O5 280.131073 NA MeJP NA NA +MJ022045 Jesterone; 1'?-Hydroxy C15H20O5 280.131073 NA MeJP NA NA +MJ022046 Marasmone; 1?-Alcohol C15H20O5 280.131073 NA MeJP NA NA +MJ022047 Nivefuranone A; 1',2'-Dihydro, 2'-hydroxy C15H20O5 280.131073 NA MeJP NA NA +MJ022048 Paniculide A; 15-Hydroxy C15H20O5 280.131073 NA MeJP NA NA +MJ022049 Phaseic acid C15H20O5 280.131073 NA MeJP NA NA +MJ022050 Phomenone; 11,12-Epoxy C15H20O5 280.131073 NA MeJP NA NA +MJ022051 Picrotoximaesin C15H20O5 280.131073 NA MeJP NA NA +MJ022052 Psilostachyin C15H20O5 280.131073 NA MeJP NA NA +MJ022053 Pterosin L, 15-Hydroxy C15H20O5 280.131073 NA MeJP NA NA +MJ022054 Pterosin Y C15H20O5 280.131073 NA MeJP NA NA +MJ022055 Rosnecatrone C15H20O5 280.131073 NA MeJP NA NA +MJ022056 Santolinifolide A C15H20O5 280.131073 NA MeJP NA NA +MJ022057 Santolinifolide C C15H20O5 280.131073 NA MeJP NA NA +MJ022058 Scabediol C15H20O5 280.131073 NA MeJP NA NA +MJ022059 Secoisoerivanin pseudoacid C15H20O5 280.131073 NA MeJP NA NA +MJ022060 Vulgarolide C15H20O5 280.131073 NA MeJP NA NA +C09346 Autumnolide C15H20O5 280.1311 NA KEGG NA NA +C09480 Hymenoflorin C15H20O5 280.1311 NA KEGG NA NA +C09707 Phaseic acid C15H20O5 280.1311 NA KEGG NA NA +C15514 8'-Hydroxyabscisate C15H20O5 280.1311 NA KEGG NA NA +MJ022061 Hydroxystilbamidine C16H16N4O 280.132411 NA MeJP NA NA +3277 NA KREE 280.1395 MH2+ Inhouse_peptide NA peptide +PJ000162 VY C14H20N2O4 280.1423 NA PeJP NA NA +MJ022062 Subaphylline; 2S-Hydroxy C14H20N2O4 280.142307 NA MeJP NA NA +MJ022063 1,7,9-Heptadecatriene-11,13,15-triyn-6-ol, Ac C19H20O2 280.146329 NA MeJP NA NA +MJ022064 1,7-Diphenyl-3,5-heptanediol, Diketone C19H20O2 280.146329 NA MeJP NA NA +MJ022065 1,7-Diphenyl-3,5-heptanediol, 1,2-Didehydro, 3-ketone(E-) C19H20O2 280.146329 NA MeJP NA NA +MJ022066 1,7-Diphenyl-3,5-heptanediol, 1,2:6,7-Tetradehydro, 3-ketone(E,E-) C19H20O2 280.146329 NA MeJP NA NA +MJ022067 1,7-Diphenyl-3,5-heptanediol, 6,7-Didehydro, 3-ketone(E-) C19H20O2 280.146329 NA MeJP NA NA +MJ022068 2,3-Dihydro-2-(1-methylethenyl)-4-(2-phenylethyl)-6-benzofuranol C19H20O2 280.146329 NA MeJP NA NA +MJ022069 2-(3-Methyl-2-butenyl)-5-(2-phenylethenyl)-1,3-benzenediol C19H20O2 280.146329 NA MeJP NA NA +MJ022070 3',5-Di(2-propenyl)-2,4'-biphenyldiol; 4'-Me ether C19H20O2 280.146329 NA MeJP NA NA +MJ022071 5-Hydroxy-2,2-dimethyl-7-(2-phenylethyl)-2H-1-benzopyran C19H20O2 280.146329 NA MeJP NA NA +MJ022072 7,16-Epoxy-20-nor-5(10),6,8,11,13-cleistanthapentaen-3-one C19H20O2 280.146329 NA MeJP NA NA +MJ022073 7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one C19H20O2 280.146329 NA MeJP NA NA +MJ022074 7-Hydroxy-2,2-dimethyl-5-(2-phenylethyl)-2H-1-benzopyran C19H20O2 280.146329 NA MeJP NA NA +MJ022075 9,10-Dihydro-2,7-dihydroxy-1,8-dimethyl-4-vinylphenanthrene; 7-Me ether C19H20O2 280.146329 NA MeJP NA NA +MJ022076 9,10-Dihydro-2,8-dihydroxy-1,6-dimethyl-5-vinylphenanthrene; 2-Me ether C19H20O2 280.146329 NA MeJP NA NA +MJ022077 Conocarpan, Me ether C19H20O2 280.146329 NA MeJP NA NA +MJ022078 Hermosillol C19H20O2 280.146329 NA MeJP NA NA +MJ022079 Isoequilenin, Me ether C19H20O2 280.146329 NA MeJP NA NA +MJ022080 Miltirone; 1,2-Didehydro C19H20O2 280.146329 NA MeJP NA NA +MJ022081 Radulanin A C19H20O2 280.146329 NA MeJP NA NA +MJ022082 Radulanin I C19H20O2 280.146329 NA MeJP NA NA +MJ022083 Tylimanthin B C19H20O2 280.146329 NA MeJP NA NA +MJ022084 Albifylline C13H20N4O3 280.15354 NA MeJP NA NA +MJ022085 Ciclosidomine C13H20N4O3 280.15354 NA MeJP NA NA +MJ022086 Lisofylline C13H20N4O3 280.15354 NA MeJP NA NA +MJ022087 9-Methoxyellipticine; 1,2,3,4-Tetrahydro C18H20N2O 280.157563 NA MeJP NA NA +MJ022088 Apparicine, 10-Hydroxy C18H20N2O 280.157563 NA MeJP NA NA +MJ022089 Fantridone C18H20N2O 280.157563 NA MeJP NA NA +MJ022090 1,6-Dihydroxy-3,11(13)-eudesmadien-12-oic acid, Me ester C16H24O4 280.167459 NA MeJP NA NA +MJ022091 1,8-Dihydroxy-2,6,10-farnesatrien-15,1-olide; 1-Me ether C16H24O4 280.167459 NA MeJP NA NA +MJ022092 13,14,15,16-Tetranor-1(10)-halimene-12,19-dioic acid C16H24O4 280.167459 NA MeJP NA NA +MJ022093 13,14,15,16-Tetranor-12,8-labdanolid-19-oic acid C16H24O4 280.167459 NA MeJP NA NA +MJ022094 13,14,15,16-Tetranor-3-clerodene-12,18-diol; ent-form, 12,18-Di-carboxylic acid C16H24O4 280.167459 NA MeJP NA NA +MJ022095 13,14,15,16-Tetranor-8(17)-labdene-12,19-dioic acid C16H24O4 280.167459 NA MeJP NA NA +MJ022096 2,5-Dihydroxy-3-methyl-6-nonyl-1,4-benzoquinone C16H24O4 280.167459 NA MeJP NA NA +MJ022097 2,5-Dihydroxy-4-isopropylbenzyl alcohol; 2,5-Di-Me ether, 7-(2-methylpropanoyl) C16H24O4 280.167459 NA MeJP NA NA +MJ022098 2-(3,4-Dihydroxyphenyl)tetrahydro-4-hydroxy-6-pentyl-2H-pyran C16H24O4 280.167459 NA MeJP NA NA +MJ022099 2-Methyl-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-butanone; Tri-Me ether C16H24O4 280.167459 NA MeJP NA NA +MJ022100 3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Me ether C16H24O4 280.167459 NA MeJP NA NA +MJ022101 3,7-Dihydroxy-11-nor-8-drimen-12-al, 3-Ac C16H24O4 280.167459 NA MeJP NA NA +MJ022102 3-Hydroxy-8-oxo-6-eremophilen-12-oic acid, Me ester C16H24O4 280.167459 NA MeJP NA NA +MJ022103 3-Methyl-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-butanone; Tri-Me ether C16H24O4 280.167459 NA MeJP NA NA +MJ022104 4,10-Dihydroxy-11(13)-guaien-12,8-olide, 10-Me ether C16H24O4 280.167459 NA MeJP NA NA +MJ022105 4,5-Dioxo-4,5-seco-11(13)-eudesmen-12-oic acid; Me ester C16H24O4 280.167459 NA MeJP NA NA +MJ022106 5-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid; 5?-form, 5-Hydroperoxide, Me ester C16H24O4 280.167459 NA MeJP NA NA +MJ022107 5-Hydroxy-4-oxo-11(13)-iphionen-12-oic acid; Me ester C16H24O4 280.167459 NA MeJP NA NA +MJ022108 5-Hydroxy-7-oxo-10-pinguisen-12-oic acid, Me ester C16H24O4 280.167459 NA MeJP NA NA +MJ022109 6,8-Dihydroxy-3,11(13)-eudesmadien-12-oic acid, Me ester C16H24O4 280.167459 NA MeJP NA NA +MJ022110 6,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Me ether C16H24O4 280.167459 NA MeJP NA NA +MJ022111 6,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether C16H24O4 280.167459 NA MeJP NA NA +MJ022112 7,13-Dihydroxy-4-eudesmen-12,6-olide, 13-Me ether C16H24O4 280.167459 NA MeJP NA NA +MJ022113 8,10-Dihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether C16H24O4 280.167459 NA MeJP NA NA +MJ022114 8-Hydroxy-10-(5-methyl-4-oxo-2-cyclopenten-1-yl)-9-decenoic acid C16H24O4 280.167459 NA MeJP NA NA +MJ022115 Antibiotic AM 6898C C16H24O4 280.167459 NA MeJP NA NA +MJ022116 Antibiotic Mer-WF 5027IIA C16H24O4 280.167459 NA MeJP NA NA +MJ022117 Brefeldin A C16H24O4 280.167459 NA MeJP NA NA +MJ022118 Furodysinin hydroperoxide C16H24O4 280.167459 NA MeJP NA NA +MJ022119 Hebelophyllene F C16H24O4 280.167459 NA MeJP NA NA +MJ022120 Illifunone, Di-Me ether C16H24O4 280.167459 NA MeJP NA NA +MJ022121 Moniliniol C16H24O4 280.167459 NA MeJP NA NA +MJ022122 Papuanone C16H24O4 280.167459 NA MeJP NA NA +MJ022123 Prehumulinic acid C16H24O4 280.167459 NA MeJP NA NA +MJ022124 Tagetolone C16H24O4 280.167459 NA MeJP NA NA +MJ022125 p-Mentha-1,3,5-triene-3,8,9-triol; 9-(2-Methylpropanoyl), 8-Et ether C16H24O4 280.167459 NA MeJP NA NA +C17748 1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone C16H24O4 280.1675 NA KEGG NA NA +MJ022126 10,13-Dihydroxylupanine C15H24N2O3 280.178692 NA MeJP NA NA +MJ022127 3,13-Dihydroxylupanine C15H24N2O3 280.178692 NA MeJP NA NA +MJ022128 3,4-Dihydroxylupanine C15H24N2O3 280.178692 NA MeJP NA NA +MJ022129 4,13-Dihydroxylupanine C15H24N2O3 280.178692 NA MeJP NA NA +MJ022130 8,13-Dihydroxylupanine C15H24N2O3 280.178692 NA MeJP NA NA +MJ022131 Calpurmenine C15H24N2O3 280.178692 NA MeJP NA NA +MJ022132 Hydroxycaine C15H24N2O3 280.178692 NA MeJP NA NA +MJ022133 Hydroxytetracaine C15H24N2O3 280.178692 NA MeJP NA NA +MJ022134 Lamprolobine, 6-Epimer, 1?-oxide C15H24N2O3 280.178692 NA MeJP NA NA +MJ022135 Lamprolobine, 9?-Hydroxy C15H24N2O3 280.178692 NA MeJP NA NA +MJ022136 Mefexamide C15H24N2O3 280.178692 NA MeJP NA NA +MJ022137 Sophoranol; 9?-Hydroxy C15H24N2O3 280.178692 NA MeJP NA NA +MJ022138 Sophoranol; N1-Oxide C15H24N2O3 280.178692 NA MeJP NA NA +C07049 Imipramine C19H24N2 280.1939 NA KEGG NA NA +C07050 Transferred to D00345 C19H24N2 280.1939 NA KEGG NA NA +C09215 Ibogamine C19H24N2 280.1939 NA KEGG NA NA +HMDB01848 Imipramine C19H24N2 280.193939 NA HMDB2010 NA NA +HMDB01848 Imipramine C19H24N2 280.19394 http://www.hmdb.ca/metabolites/HMDB01848 HMDB NA NA +HMDB01848 Imipramine C19H24N2 280.19394 HMDB01848 PFEM_hmdb_metabocards_official NA NA +MJ022139 20-Hydroxy-1,2-dehydro-?-aspidospermidine, Deoxy C19H24N2 280.193948 NA MeJP NA NA +MJ022140 ?1-?-Aspidospermidine C19H24N2 280.193948 NA MeJP NA NA +MJ022141 Aspidofractinine C19H24N2 280.193948 NA MeJP NA NA +MJ022142 Aspidospermatidine; N-Me C19H24N2 280.193948 NA MeJP NA NA +MJ022143 Bamipine C19H24N2 280.193948 NA MeJP NA NA +MJ022144 Capuronidine; Deoxy, 14,15-didehydro-1,2?-dihydro C19H24N2 280.193948 NA MeJP NA NA +MJ022145 Daledalin C19H24N2 280.193948 NA MeJP NA NA +MJ022146 Eburenine C19H24N2 280.193948 NA MeJP NA NA +MJ022147 Eburnamenine, 16,17-Dihydro C19H24N2 280.193948 NA MeJP NA NA +MJ022148 Histapyrrodine C19H24N2 280.193948 NA MeJP NA NA +MJ022149 Ibogamine C19H24N2 280.193948 NA MeJP NA NA +MJ022150 Imipramine C19H24N2 280.193948 NA MeJP NA NA +MJ022151 Monometacrine C19H24N2 280.193948 NA MeJP NA NA +MJ022152 Ngouniensine C19H24N2 280.193948 NA MeJP NA NA +MJ022153 Prazepine C19H24N2 280.193948 NA MeJP NA NA +C04867 Methyl C17H28O3 280.2038 NA KEGG NA NA +MJ022154 1(10),4-Germacradiene-2,6-diol, 6-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022155 1(10),4-Germacradiene-6,8-diol, 8-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022156 1(10),5-Germacradiene-3,4-diol, 3-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022157 1,10-Bisaboladiene-3,12-diol; 12-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022158 1,10-Bisaboladiene-3,12-diol; 3-Epimer, 12-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022159 1,3-Elemadiene-8,11-diol; 8?-form, 8-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022160 1,4-Epoxy-6-eudesmanol, Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022161 1,6,10-Farnesatriene-3,5-diol; 5-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022162 1,6,10-Farnesatriene-3,8-diol; 8-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022163 1,6,10-Farnesatriene-3,9-diol; 9-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022164 10(14)-Guaiene-4,11-diol, 11-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022165 10,11-Epoxy-12-guaianol, Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022166 10,11-Epoxy-2-guaianal, 2-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022167 10-Hydroxy-4-oplopanone, Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022168 11,12-Epoxy-11-drimanol; 11?-form, Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022169 14,15,16-Trinor-13,8-labdanolide; 8?-form, 6?-Hydroxy C17H28O3 280.203844 NA MeJP NA NA +MJ022170 2,10-Bisaboladiene-1,12-diol; 12-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022171 2,10-Bisaboladiene-1,6-diol; 1-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022172 2,6,10-Farnesatriene-1,4-diol; 4-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022173 2,6,10-Farnesatriene-1,9-diol, 1-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022174 2,6,10-Farnesatriene-1,9-diol, 9-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022175 3,5-Dimethyl-2-furannonanoic acid; Et ester C17H28O3 280.203844 NA MeJP NA NA +MJ022176 3-(11-Dodecenylidene)dihydro-4-hydroxy-5-methyl-2(3H)-furanone C17H28O3 280.203844 NA MeJP NA NA +MJ022177 3-Eudesmene-1,11-diol, 1-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022178 3-Eudesmene-6,7-diol, 6-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022179 4(15)-Eudesmene-1,11-diol, 1-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022180 4(15)-Eudesmene-6,11-diol; 6?-form, Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022181 4,10-Cyclofarnesadiene-2,9-diol; 2-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022182 4,7-Epoxy-6-eudesmanol, Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022183 4-Eudesmene-1,11-diol, 1-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022184 5(1?10)-Abeo-1,8-patchoulanediol, 8-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022185 5,10(14)-Germacradiene-1,4-diol, 1-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022186 5,11-Epoxyguaiane, 9?-Acetoxy C17H28O3 280.203844 NA MeJP NA NA +MJ022187 6,7-Epoxy-2-humulen-1-ol, Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022188 6-Hydroxy-9-isopropyl-6-methyl-3,7-tridecadiene-2,12-dione C17H28O3 280.203844 NA MeJP NA NA +MJ022189 7-Hydroxy-10-heptadecen-8-ynoic acid C17H28O3 280.203844 NA MeJP NA NA +MJ022190 8-Daucene-5,7-diol, 7-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022191 9,10-Dihydroxy-4,6-heptadecadiyn-3-one, 3S(?)-Alcohol C17H28O3 280.203844 NA MeJP NA NA +MJ022192 Antibiotic PI 201 C17H28O3 280.203844 NA MeJP NA NA +MJ022193 Antibiotic Ro 09-1547; 4-Me ether C17H28O3 280.203844 NA MeJP NA NA +MJ022194 Cavernosine C17H28O3 280.203844 NA MeJP NA NA +MJ022195 Fauronol; Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022196 Juvenile hormone II C17H28O3 280.203844 NA MeJP NA NA +MJ022197 Kanokonol; Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022198 Litsenolide A C17H28O3 280.203844 NA MeJP NA NA +MJ022199 Majorynolide; 16,17-Dihydro C17H28O3 280.203844 NA MeJP NA NA +MJ022200 Nakorone C17H28O3 280.203844 NA MeJP NA NA +MJ022201 Polygodial acetal C17H28O3 280.203844 NA MeJP NA NA +MJ022202 Raspailynes; Isoraspailyne B1 C17H28O3 280.203844 NA MeJP NA NA +MJ022203 Raspailynes; Raspailyne B1 C17H28O3 280.203844 NA MeJP NA NA +MJ022204 Trifarienol A; 14-Epimer, 15-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022205 Trifarienol A; 15-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022206 Valerianoid B; 8-Ac C17H28O3 280.203844 NA MeJP NA NA +MJ022207 [3-Ethyl-5-methyl-5-(2-methylhexyl)-2(5H)-furanylidene]acetic acid, Me ester C17H28O3 280.203844 NA MeJP NA NA +MetaCyc02500 methyl (2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate [] C17H28O3 280.203845 NA metacyc NA NA +MJ022208 2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; High-melting-form C16H28N2O2 280.215078 NA MeJP NA NA +MJ022209 2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form C16H28N2O2 280.215078 NA MeJP NA NA +MJ022210 Epipropidine C16H28N2O2 280.215078 NA MeJP NA NA +MJ022211 Phygrine C16H28N2O2 280.215078 NA MeJP NA NA +MJ022212 Tromantadine C16H28N2O2 280.215078 NA MeJP NA NA +EUR125 Linoleic acid C18H32O2 280.2402 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR125 Linoleic acid C18H32O2 280.2402 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR125 Linoleic acid C18H32O2 280.2402 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR125 Linoleic acid C18H32O2 280.2402 Wishlist Inhousejuil11 NA NA +C01595 Linoleate C18H32O2 280.2402 NA KEGG NA NA +C04056 9-cis,11-trans-Octadecadienoate C18H32O2 280.2402 NA KEGG NA NA +C08282 Chaulmoogric acid C18H32O2 280.2402 NA KEGG NA NA +C08321 Malvalic acid C18H32O2 280.2402 NA KEGG NA NA +C08459 Stearolic acid C18H32O2 280.2402 NA KEGG NA NA +EUR125 Linoleic acid C18H32O2 280.24023 Wishlist PFEM_hmdb_metabocards_urine NA urine +HMDB00673 Linoleic acid C18H32O2 280.24023 http://www.hmdb.ca/metabolites/HMDB00673 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05047 9E,11E-Octadecadienoic acid C18H32O2 280.24023 http://www.hmdb.ca/metabolites/HMDB05047 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR125 Linoleic acid C18H32O2 280.24023 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR125 Linoleic acid C18H32O2 280.24023 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR125 Linoleic acid C18H32O2 280.24023 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00673 Linoleic acid C18H32O2 280.24023 http://www.hmdb.ca/metabolites/HMDB00673 HMDB NA NA +HMDB03797 Bovinic acid C18H32O2 280.24023 http://www.hmdb.ca/metabolites/HMDB03797 HMDB NA NA +HMDB05047 9E,11E-Octadecadienoic acid C18H32O2 280.24023 http://www.hmdb.ca/metabolites/HMDB05047 HMDB NA NA +HMDB05048 10E,12Z-Octadecadienoic acid C18H32O2 280.24023 http://www.hmdb.ca/metabolites/HMDB05048 HMDB NA NA +HMDB06270 Linoelaidic acid C18H32O2 280.24023 http://www.hmdb.ca/metabolites/HMDB06270 HMDB NA NA +EUR125 Linoleic acid C18H32O2 280.24023 Wishlist HMDB NA NA +EUR125 Linoleic acid C18H32O2 280.24023 Wishlist Inhouse_PFEM NA NA +MJ022213 10,12-Octadecadienoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022214 10-Methyl-6,9-heptadecadienoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022215 10-Propyl-5,9-tridecadien-1-ol, Ac C18H32O2 280.24023 NA MeJP NA NA +MJ022216 13-(2-Cyclopentenyl)tridecanoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022217 14-Hydroxy-2,6,10-trimethyl-10-pentadecen-4-one; 5,6-Didehydro C18H32O2 280.24023 NA MeJP NA NA +MJ022218 15,16-Dinor-8(17)-labdene-3,13-diol C18H32O2 280.24023 NA MeJP NA NA +MJ022219 16-Methyl-6,9-heptadecadienoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022220 16-Methyl-9,12-heptadecadienoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022221 3,6-Octadecadienoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022222 3,7-Dimethyl-2,6-octadien-1-ol, Octanoyl C18H32O2 280.24023 NA MeJP NA NA +MJ022223 4,9-Octadecadienoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022224 4-Methyl-7,11-heptadecadienoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022225 5,11-Octadecadienoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022226 5,6-Octadecadienoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022227 5,9-Octadecadienoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022228 5-Hydroxy-14,15-dinor-13-labdanone C18H32O2 280.24023 NA MeJP NA NA +MJ022229 5-Octadecynoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022230 6,10,14-Trimethyl-5-pentadecene-2,12-dione C18H32O2 280.24023 NA MeJP NA NA +MJ022231 6,11-Hexadecadien-1-ol, Ac C18H32O2 280.24023 NA MeJP NA NA +MJ022232 6,11-Octadecadienoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022233 6,9-Octadecadienoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022234 6-Octadecynoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022235 7,11-Octadecadienoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022236 9,11-Dodecadien-1-ol, Hexanoyl C18H32O2 280.24023 NA MeJP NA NA +MJ022237 9,12-Octadecadienoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022238 9,15-Octadecadienoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022239 9-Octadecen-18-olide C18H32O2 280.24023 NA MeJP NA NA +MJ022240 9-Octadecynoic acid C18H32O2 280.24023 NA MeJP NA NA +MJ022241 Araneosol C18H32O2 280.24023 NA MeJP NA NA +MJ022242 Malvalic acid C18H32O2 280.24023 NA MeJP NA NA +MetaCyc02501 9-cis,12-cis-octadecadienoate [] C18H32O2 280.24023 60-33-3 metacyc NA NA +MetaCyc02502 9-cis,11-trans-octadecadienoate [] C18H32O2 280.24023 872-23-1 metacyc NA NA +MetaCyc02503 linoleate [linoleic acid;linoleate;9,12-linoleic acid;(9Z,12Z)-octadeca-9,12-dienoate;] C18H32O2 280.24023 60-33-3 metacyc NA NA +HMDB00673 Linoleic acid C18H32O2 280.24023 http://www.hmdb.ca/metabolites/HMDB00673 PFEM_hmdb_metabocards_blood NA blood +HMDB05047 9E,11E-Octadecadienoic acid C18H32O2 280.24023 http://www.hmdb.ca/metabolites/HMDB05047 PFEM_hmdb_metabocards_blood NA blood +EUR125 Linoleic acid C18H32O2 280.24023 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR125 Linoleic acid C18H32O2 280.24023 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00673 Linoleic acid C18H32O2 280.24023 HMDB00673 PFEM_hmdb_metabocards_official NA NA +HMDB03797 Bovinic acid C18H32O2 280.24023 HMDB03797 PFEM_hmdb_metabocards_official NA NA +HMDB05047 9E,11E-Octadecadienoic acid C18H32O2 280.24023 HMDB05047 PFEM_hmdb_metabocards_official NA NA +HMDB05048 10E,12Z-Octadecadienoic acid C18H32O2 280.24023 HMDB05048 PFEM_hmdb_metabocards_official NA NA +HMDB06270 Linoelaidic acid C18H32O2 280.24023 HMDB06270 PFEM_hmdb_metabocards_official NA NA +HMDB00673 Linoleic acid C18H32O2 280.240234 NA HMDB2010 NA NA +HMDB03797 Bovinic acid C18H32O2 280.240234 NA HMDB2010 NA NA +HMDB05047 9E,11E-Octadecadienoic acid C18H32O2 280.240234 NA HMDB2010 NA NA +HMDB05048 10E,12Z-Octadecadienoic acid C18H32O2 280.240234 NA HMDB2010 NA NA +HMDB06270 Linoelaidic acid C18H32O2 280.240234 NA HMDB2010 NA NA +MJ022243 12-Nonadecen-9-one C19H36O 280.276615 NA MeJP NA NA +MJ022244 15-Nor-8-labdanol; 8?-form C19H36O 280.276615 NA MeJP NA NA +MJ022245 6,10,14-Trimethyl-2-methylenepentadecanal C19H36O 280.276615 NA MeJP NA NA +MJ022246 Cyclononadecanone C19H36O 280.276615 NA MeJP NA NA +HMDB04659 8-Isoprostane C20H40 280.312988 NA HMDB2010 NA NA +HMDB04659 8-Isoprostane C20H40 280.31299 http://www.hmdb.ca/metabolites/HMDB04659 PFEM_hmdb_metabocards_urine NA urine +HMDB04659 8-Isoprostane C20H40 280.31299 http://www.hmdb.ca/metabolites/HMDB04659 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04659 8-Isoprostane C20H40 280.31299 http://www.hmdb.ca/metabolites/HMDB04659 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04659 8-Isoprostane C20H40 280.31299 http://www.hmdb.ca/metabolites/HMDB04659 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04659 8-Isoprostane C20H40 280.31299 http://www.hmdb.ca/metabolites/HMDB04659 HMDB NA NA +HMDB04659 8-Isoprostane C20H40 280.31299 http://www.hmdb.ca/metabolites/HMDB04659 PFEM_hmdb_metabocards_blood NA blood +HMDB04659 8-Isoprostane C20H40 280.31299 HMDB04659 PFEM_hmdb_metabocards_official NA NA +MJ022247 1-Eicosene C20H40 280.313001 NA MeJP NA NA +MJ022248 10,14-Dimethyl-1-octadecene C20H40 280.313001 NA MeJP NA NA +MJ022249 10-Eicosene C20H40 280.313001 NA MeJP NA NA +MJ022250 2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane C20H40 280.313001 NA MeJP NA NA +MJ022251 3-Eicosene C20H40 280.313001 NA MeJP NA NA +MJ022252 7-(1,2-Dicarbadodecaboran-1-yl)-dodecahydro-7,8-dicarbaundecaborate(1-) C4H22B19(-) 280.356779 NA MeJP NA NA +2719 erythromycin inhibitor MVLTV 280.6537 MH2+ Inhouse_peptide NA peptide +3525 ACE inhibitor VHIPP 280.657 MH2+ Inhouse_peptide NA peptide +3526 ACE inhibitor VHLPP 280.657 MH2+ Inhouse_peptide NA peptide +MJ022253 4,5-Dibromo-1H-pyrrole-2-carboxylic acid; Me ester C6H5Br2NO2 280.868703 NA MeJP NA NA +MJ022254 4,5-Dibromo-1H-pyrrole-2-carboxylic acid; N-Me C6H5Br2NO2 280.868703 NA MeJP NA NA +MJ022255 2',3'-Dichlorodiphenylamine-2-carboxylic acid C13H9Cl2NO2 281.001033 NA MeJP NA NA +MJ022256 Perfragilin A; 7-Deamino, 7-methylthio C12H11NO3S2 281.018034 NA MeJP NA NA +MJ022257 Ajocysteine C9H15NO3S3 281.021405 NA MeJP NA NA +MJ022258 Fenclozic acid; Et ester C13H12ClNO2S 281.027727 NA MeJP NA NA +MJ022259 Ontianil C13H12ClNO2S 281.027727 NA MeJP NA NA +C15427 2-Amino-1,2-bis(p-chlorophenyl)ethanol C14H13Cl2NO 281.0374 NA KEGG NA NA +PJ000163 GCC C8H15N3O4S2 281.0504 NA PeJP NA NA +MJ022260 2,5-Dihydro-2-(5-methyl-3-thienyl)-3H-pyrazolo[4,3-c]quinolin-3-one C15H11N3OS 281.062282 NA MeJP NA NA +MJ022261 Flufenamic acid C14H10F3NO2 281.066363 NA MeJP NA NA +MJ022262 Salfluverine C14H10F3NO2 281.066363 NA MeJP NA NA +C13038 Flufenamic acid C14H10F3NO2 281.0664 NA KEGG NA NA +C13039 Transferred to D01582 C14H10F3NO2 281.0664 NA KEGG NA NA +C13040 Transferred to D01583 C14H10F3NO2 281.0664 NA KEGG NA NA +C13041 Transferred to D01584 C14H10F3NO2 281.0664 NA KEGG NA NA +C13042 Transferred to D01585 C14H10F3NO2 281.0664 NA KEGG NA NA +C13043 Transferred to D01586 C14H10F3NO2 281.0664 NA KEGG NA NA +C15048 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one C16H11NO4 281.0688 NA KEGG NA NA +MJ022263 1,2,7-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1-Me ether C16H11NO4 281.068807 NA MeJP NA NA +MJ022264 Buxifoliadine F C16H11NO4 281.068807 NA MeJP NA NA +MJ022265 Doryflavine C16H11NO4 281.068807 NA MeJP NA NA +MJ022266 Glucose 3-nitropropanoates; 6-O-(3-Nitropropanoyl)-?-D-glucopyranoside C9H15NO9 281.074681 NA MeJP NA NA +MJ022267 Glucose 3-nitropropanoates; 6-O-(3-Nitropropanoyl)-?-D-glucopyranose C9H15NO9 281.074681 NA MeJP NA NA +C11501 9-Riburonosyladenine C10H11N5O5 281.076 NA KEGG NA NA +MJ022268 Adenosine-5'-uronic acid C10H11N5O5 281.076018 NA MeJP NA NA +C07487 Nitrazepam C15H11N3O3 281.08 NA KEGG NA NA +MJ022269 Nitrazepam C15H11N3O3 281.080041 NA MeJP NA NA +HMDB04816 FAPy-adenine C15H11N3O3 281.08005 http://www.hmdb.ca/metabolites/HMDB04816 PFEM_hmdb_metabocards_urine NA urine +HMDB04816 FAPy-adenine C15H11N3O3 281.08005 http://www.hmdb.ca/metabolites/HMDB04816 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04816 FAPy-adenine C15H11N3O3 281.08005 http://www.hmdb.ca/metabolites/HMDB04816 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04816 FAPy-adenine C15H11N3O3 281.08005 http://www.hmdb.ca/metabolites/HMDB04816 HMDB NA NA +HMDB04816 FAPy-adenine C15H11N3O3 281.08005 HMDB04816 PFEM_hmdb_metabocards_official NA NA +C02809 Albendazole S-oxide C12H15N3O3S 281.0834 NA KEGG NA NA +MJ022270 Albendazole; S-Oxide C12H15N3O3S 281.083412 NA MeJP NA NA +MJ022271 Glipalamide C12H15N3O3S 281.083412 NA MeJP NA NA +MetaCyc02504 albendazole s-oxide [] C12H15N3O3S1 281.083412 NA metacyc NA NA +C05595 4-Hydroxyphenylacetylglutamic acid C13H15NO6 281.0899 NA KEGG NA NA +HMDB06061 4-Hydroxyphenylacetylglutamine C13H15NO6 281.089935 NA HMDB2010 NA NA +MJ022272 Antibiotic A 58365B C13H15NO6 281.089937 NA MeJP NA NA +HMDB06061 4-Hydroxyphenylacetylglutamine C13H15NO6 281.08994 http://www.hmdb.ca/metabolites/HMDB06061 HMDB NA NA +HMDB06061 4-Hydroxyphenylacetylglutamine C13H15NO6 281.08994 HMDB06061 PFEM_hmdb_metabocards_official NA NA +MJ022273 Benzodepa C12H16N3O3P 281.092927 NA MeJP NA NA +MJ022274 Agaritine, 7'-Carboxylic acid C12H15N3O5 281.10117 NA MeJP NA NA +MJ022275 Anthglutin C12H15N3O5 281.10117 NA MeJP NA NA +MJ022276 2-(4-Hydroxyphenyl)-1-methyl-4(1H)-quinolinone; 6-Methoxy C17H15NO3 281.105193 NA MeJP NA NA +MJ022277 4-Hydroxy-2-[4-(2-pyridinyl)-1,3-butadienyl]benzoic acid; Me ester C17H15NO3 281.105193 NA MeJP NA NA +MJ022278 5-(3,4-Dimethoxyphenyl)-2-phenyloxazole C17H15NO3 281.105193 NA MeJP NA NA +MJ022279 Acronydine; 5-Demethoxy C17H15NO3 281.105193 NA MeJP NA NA +MJ022280 Anolobine C17H15NO3 281.105193 NA MeJP NA NA +MJ022281 Anonaine, 4R-Hydroxy C17H15NO3 281.105193 NA MeJP NA NA +MJ022282 Assoanine; 7-Oxo C17H15NO3 281.105193 NA MeJP NA NA +MJ022283 Cissaglaberrimine C17H15NO3 281.105193 NA MeJP NA NA +MJ022284 Constrictosine; 5,6-Dihydro C17H15NO3 281.105193 NA MeJP NA NA +MJ022285 Crykonisine; O7-De-Me C17H15NO3 281.105193 NA MeJP NA NA +MJ022286 Dutadrupine C17H15NO3 281.105193 NA MeJP NA NA +MJ022287 Erythraline, 8-Oxo, demethoxy C17H15NO3 281.105193 NA MeJP NA NA +MJ022288 Folimidine C17H15NO3 281.105193 NA MeJP NA NA +MJ022289 Indoprofen C17H15NO3 281.105193 NA MeJP NA NA +MJ022290 Norushinsunine C17H15NO3 281.105193 NA MeJP NA NA +MJ022291 Obovanine C17H15NO3 281.105193 NA MeJP NA NA +MJ022292 Oliveroline, N-De-Me C17H15NO3 281.105193 NA MeJP NA NA +MJ022293 Vitricine C17H15NO3 281.105193 NA MeJP NA NA +MJ022294 Zefbetaine; Me ether C17H15NO3 281.105193 NA MeJP NA NA +C09338 Annolobine C17H15NO3 281.1052 NA KEGG NA NA +C10572 Balsoxine C17H15NO3 281.1052 NA KEGG NA NA +C12236 Oxoassoanine C17H15NO3 281.1052 NA KEGG NA NA +C16997 Michelalbine C17H15NO3 281.1052 NA KEGG NA NA +HMDB03331 1-Methyladenosine C11H15N5O4 281.112396 NA HMDB2010 NA NA +HMDB04044 N6-Methyladenosine C11H15N5O4 281.112396 NA HMDB2010 NA NA +HMDB04326 2'-O-Methyladenosine C11H15N5O4 281.112396 NA HMDB2010 NA NA +HMDB06023 3'-O-Methyladenosine C11H15N5O4 281.112396 NA HMDB2010 NA NA +HMDB03331 1-Methyladenosine C11H15N5O4 281.1124 http://www.hmdb.ca/metabolites/HMDB03331 PFEM_hmdb_metabocards_urine NA urine +HMDB03331 1-Methyladenosine C11H15N5O4 281.1124 http://www.hmdb.ca/metabolites/HMDB03331 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03331 1-Methyladenosine C11H15N5O4 281.1124 http://www.hmdb.ca/metabolites/HMDB03331 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB03331 1-Methyladenosine C11H15N5O4 281.1124 http://www.hmdb.ca/metabolites/HMDB03331 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB03331 1-Methyladenosine C11H15N5O4 281.1124 http://www.hmdb.ca/metabolites/HMDB03331 HMDB NA NA +HMDB04044 N6-Methyladenosine C11H15N5O4 281.1124 http://www.hmdb.ca/metabolites/HMDB04044 HMDB NA NA +HMDB04326 2'-O-Methyladenosine C11H15N5O4 281.1124 http://www.hmdb.ca/metabolites/HMDB04326 HMDB NA NA +HMDB06023 3'-O-Methyladenosine C11H15N5O4 281.1124 http://www.hmdb.ca/metabolites/HMDB06023 HMDB NA NA +C02494 1-Methyladenosine C11H15N5O4 281.1124 NA KEGG NA NA +C05031 O6-Methyl-2'-deoxyguanosine C11H15N5O4 281.1124 NA KEGG NA NA +C05034 Peptide(-Arg) C8H16N5O3R 281.1124 NA KEGG NA NA +C05035 Peptide(-Leu) C8H15N2O3R 281.1124 NA KEGG NA NA +C05036 Peptide(-Lys) C8H16N3O3R 281.1124 NA KEGG NA NA +C05037 Peptide(-Phe) C13H15N3O4R2 281.1124 NA KEGG NA NA +C05038 Peptide(-Trp) C15H16N4O4R2 281.1124 NA KEGG NA NA +C05039 Peptide(-Tyr) C11H13N2O4R 281.1124 NA KEGG NA NA +HMDB03331 1-Methyladenosine C11H15N5O4 281.1124 http://www.hmdb.ca/metabolites/HMDB03331 PFEM_hmdb_metabocards_blood NA blood +HMDB03331 1-Methyladenosine C11H15N5O4 281.1124 HMDB03331 PFEM_hmdb_metabocards_official NA NA +HMDB04044 N6-Methyladenosine C11H15N5O4 281.1124 HMDB04044 PFEM_hmdb_metabocards_official NA NA +HMDB04326 2'-O-Methyladenosine C11H15N5O4 281.1124 HMDB04326 PFEM_hmdb_metabocards_official NA NA +HMDB06023 3'-O-Methyladenosine C11H15N5O4 281.1124 HMDB06023 PFEM_hmdb_metabocards_official NA NA +MJ022295 1-Methyladenosine C11H15N5O4 281.112403 NA MeJP NA NA +MJ022296 2'-C-Methyladenosine C11H15N5O4 281.112403 NA MeJP NA NA +MJ022297 2'-O-Methyladenosine C11H15N5O4 281.112403 NA MeJP NA NA +MJ022298 2-Methoxyadenosine; 2'-Deoxy C11H15N5O4 281.112403 NA MeJP NA NA +MJ022299 2-Methyladenosine C11H15N5O4 281.112403 NA MeJP NA NA +MJ022300 Adenosine; 6-N-Me C11H15N5O4 281.112403 NA MeJP NA NA +MJ022301 Euglenapterin C11H15N5O4 281.112403 NA MeJP NA NA +MJ022302 Pyrizinostatin C11H15N5O4 281.112403 NA MeJP NA NA +MetaCyc02505 1-methyladenosine [] C11H15N5O4 281.112404 15763-06-1 metacyc NA NA +MJ022303 4,5-Dihydro-5-methyl-6-[4-(4-oxo-1(4H)-pyridinyl)phenyl]-3(2H)-pyridazinone C16H15N3O2 281.116426 NA MeJP NA NA +C14599 2,3,3-Triphenylacrylonitrile C21H15N 281.1204 NA KEGG NA NA +MJ022304 Prothixene C18H19NS 281.12382 NA MeJP NA NA +C10150 Harzianopyridone C14H19NO5 281.1263 NA KEGG NA NA +MJ022305 4-(3,4,5-Trimethoxybenzoyl)morpholine C14H19NO5 281.126322 NA MeJP NA NA +MJ022306 Dicrotaline C14H19NO5 281.126322 NA MeJP NA NA +MJ022307 Harzianopyridone C14H19NO5 281.126322 NA MeJP NA NA +MJ022308 Mortivinacin C C14H19NO5 281.126322 NA MeJP NA NA +MJ022309 Peyoruvic acid; Me ether C14H19NO5 281.126322 NA MeJP NA NA +MJ022310 Sanfetrinem C14H19NO5 281.126322 NA MeJP NA NA +MJ022311 Spirostaphylotrichin E; 7-Alcohol C14H19NO5 281.126322 NA MeJP NA NA +MJ022312 Spirostaphylotrichin O C14H19NO5 281.126322 NA MeJP NA NA +MJ022313 Spirostaphylotrichin T C14H19NO5 281.126322 NA MeJP NA NA +MJ022314 4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine C17H16FN3 281.132825 NA MeJP NA NA +MJ022315 Lufironil C13H19N3O4 281.137556 NA MeJP NA NA +C11019 Pendimethalin C13H19N3O4 281.1376 NA KEGG NA NA +MJ022316 Diminazene C14H15N7 281.138893 NA MeJP NA NA +MJ022317 Bharatamine C18H19NO2 281.141578 NA MeJP NA NA +MJ022318 Carbazoquinocin; Antibiotic WS 63967A C18H19NO2 281.141578 NA MeJP NA NA +MJ022319 Euchrestine A C18H19NO2 281.141578 NA MeJP NA NA +MJ022320 Isbogrel C18H19NO2 281.141578 NA MeJP NA NA +MJ022321 Lirinidine C18H19NO2 281.141578 NA MeJP NA NA +MJ022322 Nuciferine, N-De-Me C18H19NO2 281.141578 NA MeJP NA NA +MJ022323 Nuciferine, O2-De-Me C18H19NO2 281.141578 NA MeJP NA NA +MJ022324 Nuciferine, N-De-Me C18H19NO2 281.141578 NA MeJP NA NA +MJ022325 Assoanine; N-Me C18H20NO2(+) 281.141578 NA MeJP NA NA +MJ022326 Ofornine C17H19N3O 281.152812 NA MeJP NA NA +MJ022327 Phentolamine C17H19N3O 281.152812 NA MeJP NA NA +MJ022328 Piberaline C17H19N3O 281.152812 NA MeJP NA NA +2574 tuftsin YKPR 281.155 MH2+ Inhouse_peptide NA peptide +8177 tuftsin (human Fc region of IgG) YKPR 281.155 MH2+ Inhouse_peptide NA peptide +7661 ACE inhibitor from as1-CN (136-139) LFRQ 281.1555 MH2+ Inhouse_peptide NA peptide +MJ022329 Xanomeline C14H23N3OS 281.156183 NA MeJP NA NA +C11767 Xanomeline C14H23N3OS 281.1562 NA KEGG NA NA +C06685 Cycloheximide C15H23NO4 281.1627 NA KEGG NA NA +MJ022330 1,2,3,4-Tetrahydro-5,6,7,8-tetramethoxy-1-methylisoquinoline; N-Me C15H23NO4 281.162708 NA MeJP NA NA +MJ022331 4-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-2,6-piperidinedione C15H23NO4 281.162708 NA MeJP NA NA +MJ022332 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Tigloyl, 6-Ac C15H23NO4 281.162708 NA MeJP NA NA +MJ022333 Antibiotic A 75943 C15H23NO4 281.162708 NA MeJP NA NA +MJ022334 Roxadimate C15H23NO4 281.162708 NA MeJP NA NA +MetaCyc02506 cycloheximide [] C15H23N1O4 281.162708 NA metacyc NA NA +MJ022335 N-(1-Adamantyl)-P,P-bis(aziridinyl)phosphinic amide C14H24N3OP 281.165698 NA MeJP NA NA +MJ022336 2,4,12-Tetradecatriene-8,10-diynoic acid, Piperidide C19H23NO 281.177964 NA MeJP NA NA +MJ022337 2,4,6,12-Tetradecatetraene-8,10-diynoic acid, 3-Methylbutylamide C19H23NO 281.177964 NA MeJP NA NA +MJ022338 2-(3,7-Dimethyl-2,6-octadienyl)-4(1H)-quinolinone C19H23NO 281.177964 NA MeJP NA NA +MJ022339 Alimadol C19H23NO 281.177964 NA MeJP NA NA +MJ022340 Cinnamedrine C19H23NO 281.177964 NA MeJP NA NA +MJ022341 Diphenylpyraline C19H23NO 281.177964 NA MeJP NA NA +MJ022342 Amifloverine C16H27NO3 281.199093 NA MeJP NA NA +MJ022343 4,4-Diphenyl-2-butylamine, N-tert-Butyl C20H27N 281.214349 NA MeJP NA NA +MJ022344 Bis(3-phenylpropyl)amine; N-Et C20H27N 281.214349 NA MeJP NA NA +MJ022345 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-Nonanoyl C17H31NO2 281.235479 NA MeJP NA NA +HMDB02080 Petroselinic acid C18H33O2 281.248047 NA HMDB2010 NA NA +HMDB02080 Petroselinic acid C18H33O2 281.24805 http://www.hmdb.ca/metabolites/HMDB02080 HMDB NA NA +HMDB02080 Petroselinic acid C18H33O2 281.24805 HMDB02080 PFEM_hmdb_metabocards_official NA NA +HMDB02117 Oleamide C18H35NO 281.271851 NA HMDB2010 NA NA +MJ022346 9-Octadecenoic acid, Amide C18H35NO 281.271864 NA MeJP NA NA +MJ022347 2,5-Dialkylpyrrolidines; 2-Hexyl-5-nonylpyrrolidine C19H39N 281.30825 NA MeJP NA NA +MJ022348 2-Methyl-6-tridecylpiperidine C19H39N 281.30825 NA MeJP NA NA +MJ022349 2-Tetradecylpyrrolidine, N-Me C19H39N 281.30825 NA MeJP NA NA +MJ022350 1,1-Dibromo-3,3-dichloro-2-propanone C3H2Br2Cl2O 281.784945 NA MeJP NA NA +MJ022351 1,3-Dibromo-1,3-dichloro-2-propanone C3H2Br2Cl2O 281.784945 NA MeJP NA NA +MJ022352 Barium selenate(VI) BaO4Se 281.801421 NA MeJP NA NA +MJ022353 Carbonyl iodide CI2O 281.803851 NA MeJP NA NA +C11042 Hexachlorobenzene C6Cl6 281.8131 NA KEGG NA NA +MJ022354 2,4-Dibromo-1,3,5-benzenetriol C6H4Br2O3 281.852719 NA MeJP NA NA +MJ022355 2,2'-Dithiobisethanesulfonic acid C4H10O6S4 281.93602 NA MeJP NA NA +MJ022356 2-Bromo-4-chloro-1-(2-chloroethenyl)-1-methyl-5-methylenecyclohexane C10H13BrCl2 281.957768 NA MeJP NA NA +MJ022357 5-Bromo-4-chloro-1-chloroethenyl-2,4-dimethylcyclohexene C10H13BrCl2 281.957768 NA MeJP NA NA +MJ022358 Plocamadiene A C10H13BrCl2 281.957768 NA MeJP NA NA +MJ022359 Plocamene D' C10H13BrCl2 281.957768 NA MeJP NA NA +MJ022360 1-Chloro-2,2-bis(4'-chlorophenyl)ethylene C14H9Cl3 281.976983 NA MeJP NA NA +C06637 1-Chloro-2,2-bis(4'-chlorophenyl)ethylene C14H9Cl3 281.977 NA KEGG NA NA +MJ022361 2-(1-Propynyl)-5-(1-hydroxy-2-chloroethyl)dithiophene C13H11ClOS2 281.993984 NA MeJP NA NA +MJ022362 4-[5'-Methyl-[2,2'-bithiophen]-5-yl]-3-butyne-1,2-diol; 1-Deoxy, 1-chloro C13H11ClOS2 281.993984 NA MeJP NA NA +MJ022363 2-Amino-3-pyridinecarboxylic acid; N-(2,3-Dichlorophenyl) C12H8Cl2N2O2 281.996282 NA MeJP NA NA +MJ022364 1,1,1-Trichloro-2-hydroxy-2,5,7-undecatrien-4-one C11H13Cl3O2 281.998112 NA MeJP NA NA +MJ022365 5-Bromotryptophan C11H11BrN2O2 282.00039 NA MeJP NA NA +MJ022366 Ochtodiol C10H16BrClO2 282.00222 NA MeJP NA NA +MJ022367 Helipandurin C13H11ClO3S 282.011742 NA MeJP NA NA +MJ022368 Batzelline A C12H11ClN2O2S 282.022976 NA MeJP NA NA +MJ022369 Bikojic acid C12H10O8 282.037567 NA MeJP NA NA +MJ022370 Hexahydroxy-1,4-naphthoquinone; 2,6-Di-Me ether C12H10O8 282.037567 NA MeJP NA NA +MJ022371 Hexahydroxy-1,4-naphthoquinone; 2,7-Di-Me ether C12H10O8 282.037567 NA MeJP NA NA +MJ022372 Hydroxypropanedioic acid; 2-O-(3,4-Dihydroxycinnamoyl) C12H10O8 282.037567 NA MeJP NA NA +MJ022373 Kojic acid dimer C12H10O8 282.037567 NA MeJP NA NA +MJ022374 Rhaponthienylenol C13H14O3S2 282.038435 NA MeJP NA NA +MJ022375 Etoprine C12H12Cl2N4 282.043901 NA MeJP NA NA +MJ022376 Bensuldazic acid C12H14N2O2S2 282.049669 NA MeJP NA NA +C08722 4,5-Methylenedioxy-6-hydroxyaurone C16H10O5 282.0528 NA KEGG NA NA +C10522 Pseudobaptigenin C16H10O5 282.0528 NA KEGG NA NA +FL1AE9NS0001 4,5-Methylenedioxy-6-hydroxyaurone;Cephalocerone;(Z)-4-Hydroxy-7-(phenylmethylene)-furo[3,2-e]-1,3-benzodioxol-8(7H)-one C16H10O5 282.05282 135383-79-8 knapsack NA NA +FLIA1ANM0001 Corylinal C16H10O5 282.05282 65615-46-5 knapsack NA NA +FLIA1CNS0001 Pseudobaptigenin C16H10O5 282.05282 90-29-9 knapsack NA NA +FLIDWXNS0011 3-Hydroxy-8,9-methylenedioxypterocarp-6a-ene C16H10O5 282.05282 59901-98-3 knapsack NA NA +FLIE1ANS0002 9-O-Methylcoumestrol;4'-O-Methylcoumestrol;3-Hydroxy-9-methoxycoumestan C16H10O5 282.05282 1690-62-6 knapsack NA NA +FLIE9CNM0001 8,9-Dihydroxy-1-methylcoumestan;Mutisifurocoumarin C16H10O5 282.05282 115532-07-5 knapsack NA NA +MJ022377 1,3-Dihydroxyanthraquinone-2-carboxaldehyde; Me ether C16H10O5 282.052823 NA MeJP NA NA +MJ022378 2',6,7-Trihydroxyisoflavone; 6,7-Methylene ether C16H10O5 282.052823 NA MeJP NA NA +MJ022379 2,6,7-Trihydroxy-5H-phenanthro[4,5-bcd]pyran-5-one; 6-Me ether C16H10O5 282.052823 NA MeJP NA NA +MJ022380 2,6,7-Trihydroxy-5H-phenanthro[4,5-bcd]pyran-5-one; 7-Me ether C16H10O5 282.052823 NA MeJP NA NA +MJ022381 3,8,9-Trihydroxypterocarpene; 8,9-Methylene ether C16H10O5 282.052823 NA MeJP NA NA +MJ022382 4,5,6-Trihydroxyaurone; 4,5-Methylene ether C16H10O5 282.052823 NA MeJP NA NA +MJ022383 4,5-Dihydroxyanthraquinone-2-carboxylic acid; Aldehyde, 5-Me ether C16H10O5 282.052823 NA MeJP NA NA +MJ022384 5,6,7-Trihydroxyflavone; 6,7-Methylene ether C16H10O5 282.052823 NA MeJP NA NA +MJ022385 7-Hydroxy-3',4'-methylenedioxyisoflavone C16H10O5 282.052823 NA MeJP NA NA +MJ022386 8,10-Dihydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one C16H10O5 282.052823 NA MeJP NA NA +MJ022387 8-Hydroxyanthraquinone-2-carboxylic acid; Me ester C16H10O5 282.052823 NA MeJP NA NA +MJ022388 Corylinal C16H10O5 282.052823 NA MeJP NA NA +MJ022389 Coumestrol; 3-Me ether C16H10O5 282.052823 NA MeJP NA NA +MJ022390 Coumestrol; 9-Me ether C16H10O5 282.052823 NA MeJP NA NA +MJ022391 Mutisifurocoumarin C16H10O5 282.052823 NA MeJP NA NA +MetaCyc02507 cephalocerone [] C16H10O5 282.052823 NA metacyc NA NA +MetaCyc02508 pseudobaptigenin [] C16H10O5 282.052823 NA metacyc NA NA +MJ022392 7-Hydroxy-3,4-dimethyl-2H-1-benzopyran-2-one; O-Ethanesulfonyl C13H14O5S 282.056194 NA MeJP NA NA +C11631 9-Riburonosylhypoxanthine C10H10N4O6 282.06 NA KEGG NA NA +C13698 Niflumic acid C13H9F3N2O2 282.0616 NA KEGG NA NA +MJ022393 Niflumic acid C13H9F3N2O2 282.061612 NA MeJP NA NA +MJ022394 Triflocin C13H9F3N2O2 282.061612 NA MeJP NA NA +MJ022395 1,6-Phenazinedicarboxylic acid; Mono-Me ester C15H10N2O4 282.064056 NA MeJP NA NA +MJ022396 10-Hydroxy-3-methoxy-2,6-canthindione C15H10N2O4 282.064056 NA MeJP NA NA +MJ022397 Nigakinone; N-Oxide C15H10N2O4 282.064056 NA MeJP NA NA +MJ022398 Picrasidine W C15H10N2O4 282.064056 NA MeJP NA NA +C14265 N-(p-Nitrobenzyl)phthalimide C15H10N2O4 282.0641 NA KEGG NA NA +MJ022399 Mycorrhizin A C14H15ClO4 282.065886 NA MeJP NA NA +MJ022400 Mycorrhizinol C14H15ClO4 282.065886 NA MeJP NA NA +MJ022401 Dehydrobufotenine; O-Hydrogen sulfate inner salt C12H14N2O4S 282.067427 NA MeJP NA NA +C15452 4,4'-Diaminostilbene dihydrochloride C14H14N2 282.0691 NA KEGG NA NA +MJ022402 Beclotiamine(1+) C12H16ClN4S(+) 282.070594 NA MeJP NA NA +CJneg0494 N-Acetyltryptophan isomer [(M+Cl)]- C13H14ClN2O3 282.077625 C18rt(min)=7 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0494 N-Acetyltryptophan isomer [(M+Cl)]- C13H14ClN2O3 282.077625 C18rt(min)=7 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ022403 Netivudine C12H14N2O6 282.085186 NA MeJP NA NA +MJ022404 Speranberculatine A C12H14N2O6 282.085186 NA MeJP NA NA +C10029 5,7-Dimethoxyflavone C17H14O4 282.0892 NA KEGG NA NA +C10244 Agrostophyllin C17H14O4 282.0892 NA KEGG NA NA +C15052 7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin C17H14O4 282.0892 NA KEGG NA NA +FL1CQUNC0001 Cryptocaryone C17H14O4 282.0892 39012-05-0 knapsack NA NA +FL1DHXNF0001 Castillene E C17H14O4 282.0892 126585-64-6 knapsack NA NA +FL3F39NS0001 7,8-Dimethoxyflavone C17H14O4 282.0892 - knapsack NA NA +FL3F99NS0006 5,6-Dimethoxyflavone C17H14O4 282.0892 33554-48-2 knapsack NA NA +FL3F99NS0007 6,3'-Dimethoxyflavone C17H14O4 282.0892 71592-46-6 knapsack NA NA +FL3F9ANM0001 Saltillin C17H14O4 282.0892 33500-23-1 knapsack NA NA +FL3FA9NM0002 5-Hydroxy-7-methoxy-6-methylflavone;6-Methyltectochrysin;5-Hydroxy-7-methoxy-6-methyl-2-phenyl-4H-1-benzopyran-4-one C17H14O4 282.0892 55969-57-8 knapsack NA NA +FL3FA9NM0006 Matteuorien;5,7-Dihydroxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one C17H14O4 282.0892 171439-53-5 knapsack NA NA +FL3FA9NS0001 5,7-Dimethoxyflavone;chrysin 5,7-dimethyl ether C17H14O4 282.0892 21392-57-4 knapsack NA NA +FL5F19NS0002 3,7-Dimethoxyflavone;3,7-Dimethoxy-2-phenyl-4H-1-benzopyran-4-one C17H14O4 282.0892 20950-52-1 knapsack NA NA +FLIA1ANS0004 7,4'-Di-O-methyldaidzein C17H14O4 282.0892 1157-39-7 knapsack NA NA +FLIAA9NS0002 5,7-Dimethoxyisoflavone C17H14O4 282.0892 26964-35-2 knapsack NA NA +FLIDWXNS0002 Anhydrovariabilin;3,9-Dimethoxypterocarpene C17H14O4 282.0892 1433-08-5 knapsack NA NA +FLNA29NS0002 Methyldalbergin;6,7-Dimethoxy-4-phenylcoumarin C17H14O4 282.0892 1857-05-2 knapsack NA NA +MJ022405 1,2,5,8-Tetrahydro-7-methoxy-10-methyl-5,8-dioxo-3-phenanthrenecarboxaldehyde C17H14O4 282.089208 NA MeJP NA NA +MJ022406 1,3-Dihydroxy-2-methylanthraquinone; Di-Me ether C17H14O4 282.089208 NA MeJP NA NA +MJ022407 1,8-Dihydroxy-3-methylanthraquinone; Di-Me ether C17H14O4 282.089208 NA MeJP NA NA +MJ022408 2',7-Dihydroxyflavone; Di-Me ether C17H14O4 282.089208 NA MeJP NA NA +MJ022409 2,3-Dihydroxy-6-methylanthraquinone; Di-Me ether C17H14O4 282.089208 NA MeJP NA NA +MJ022410 3',6-Dihydroxyflavone; Di-Me ether C17H14O4 282.089208 NA MeJP NA NA +MJ022411 3,5-Dihydroxyflavone; Di-Me ether C17H14O4 282.089208 NA MeJP NA NA +MJ022412 3,7-Dihydroxyflavone; Di-Me ether C17H14O4 282.089208 NA MeJP NA NA +MJ022413 3,9-Dihydroxypterocarpene; Di-Me ether C17H14O4 282.089208 NA MeJP NA NA +MJ022414 4',5-Dihydroxy-7-methylflavone; 4'-Me ether C17H14O4 282.089208 NA MeJP NA NA +MJ022415 4',7-Dihydroxyflavone; Di-Me ether C17H14O4 282.089208 NA MeJP NA NA +MJ022416 4',7-Dihydroxyisoflavone; Di-Me ether C17H14O4 282.089208 NA MeJP NA NA +MJ022417 5,6-Dihydroxyflavone; Di-Me ether C17H14O4 282.089208 NA MeJP NA NA +MJ022418 5,7-Dihydroxy-6,8-dimethylflavone C17H14O4 282.089208 NA MeJP NA NA +MJ022419 5,7-Dihydroxy-6-methylflavone; 7-Me ether C17H14O4 282.089208 NA MeJP NA NA +MJ022420 5,7-Dihydroxyflavone; Di-Me ether C17H14O4 282.089208 NA MeJP NA NA +MJ022421 5,7-Dihydroxyisoflavone; Di-Me ether C17H14O4 282.089208 NA MeJP NA NA +MJ022422 5,8-Dihydroxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one C17H14O4 282.089208 NA MeJP NA NA +MJ022423 6,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one; Di-Me ether C17H14O4 282.089208 NA MeJP NA NA +MJ022424 7,8-Dihydroxyflavone; Di-Me ether C17H14O4 282.089208 NA MeJP NA NA +MJ022425 7-(3-Hydroxyphenyl)-2-heptene-4,6-diyn-1-ol, Di-Ac C17H14O4 282.089208 NA MeJP NA NA +MJ022426 7-(3-Hydroxyphenyl)-2-heptene-4,6-diyn-1-ol, 3-Me ether, 1-Ac C17H14O4 282.089208 NA MeJP NA NA +MJ022427 7-Acetyl-8-hydroxy-2-(2-oxopropyl)naphtho[1,8-bc]pyran C17H14O4 282.089208 NA MeJP NA NA +MJ022428 9,10-Dimethoxy-2-methyl-1,4-anthraquinone C17H14O4 282.089208 NA MeJP NA NA +MJ022429 Agrostophyllin C17H14O4 282.089208 NA MeJP NA NA +MJ022430 Bonducellin C17H14O4 282.089208 NA MeJP NA NA +MJ022431 Castillene E C17H14O4 282.089208 NA MeJP NA NA +MJ022432 Cryptocaryone C17H14O4 282.089208 NA MeJP NA NA +MJ022433 Eupomatenoid 10 C17H14O4 282.089208 NA MeJP NA NA +MJ022434 Nortanshinone; 15,16-Dihydro (R-) C17H14O4 282.089208 NA MeJP NA NA +MJ022435 Oruwalol C17H14O4 282.089208 NA MeJP NA NA +MJ022436 Oxindanac C17H14O4 282.089208 NA MeJP NA NA +MJ022437 2-O-?-D-Xylopyranosyl-D-xylose C10H18O9 282.095082 NA MeJP NA NA +MJ022438 2-O-?-D-Xylopyranosyl-L-arabinose C10H18O9 282.095082 NA MeJP NA NA +MJ022439 2-O-?-L-Arabinofuranosyl-L-arabinose C10H18O9 282.095082 NA MeJP NA NA +MJ022440 3,4-Dihydroxybutanoic acid, 3-O-?-D-Glucopyranoside C10H18O9 282.095082 NA MeJP NA NA +MJ022441 3-O-?-D-Xylopyranosyl-D-xylose C10H18O9 282.095082 NA MeJP NA NA +MJ022442 3-O-?-D-Xylopyranosyl-L-arabinose C10H18O9 282.095082 NA MeJP NA NA +MJ022443 3-O-?-L-Arabinofuranosyl-L-arabinose C10H18O9 282.095082 NA MeJP NA NA +MJ022444 3-O-?-L-Arabinopyranosyl-L-arabinose C10H18O9 282.095082 NA MeJP NA NA +MJ022445 3-O-?-D-Xylopyranosyl-L-arabinose C10H18O9 282.095082 NA MeJP NA NA +MJ022446 3-O-?-L-Arabinofuranosyl-D-xylose C10H18O9 282.095082 NA MeJP NA NA +MJ022447 3-O-?-L-Arabinofuranosyl-L-arabinose C10H18O9 282.095082 NA MeJP NA NA +MJ022448 3-O-?-L-Arabinopyranosyl-L-arabinose C10H18O9 282.095082 NA MeJP NA NA +MJ022449 4-O-?-D-Xylopyranosyl-D-xylose C10H18O9 282.095082 NA MeJP NA NA +MJ022450 4-O-?-D-Xylopyranosyl-L-arabinose C10H18O9 282.095082 NA MeJP NA NA +MJ022451 4-O-?-D-Xylopyranosyl-D-xylose C10H18O9 282.095082 NA MeJP NA NA +MJ022452 4-O-?-L-Arabinopyranosyl-D-xylose C10H18O9 282.095082 NA MeJP NA NA +MJ022453 5-O-?-D-Xylopyranosyl-L-arabinose C10H18O9 282.095082 NA MeJP NA NA +MJ022454 5-O-?-D-Xylopyranosyl-L-arabinose C10H18O9 282.095082 NA MeJP NA NA +MJ022455 5-O-?-L-Arabinofuranosyl-L-arabinose C10H18O9 282.095082 NA MeJP NA NA +MJ022456 5-O-?-L-Arabinopyranosyl-L-arabinose C10H18O9 282.095082 NA MeJP NA NA +C01630 Xylobiose C10H18O9 282.0951 NA KEGG NA NA +CJpos0679 Methylinosine [(M+H)]+ C11H15N4O5 282.095875 C18rt(min)=4.45 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0679 Methylinosine [(M+H)]+ C11H15N4O5 282.095875 C18rt(min)=4.45 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C02243 8-Oxocoformycin C11H14N4O5 282.0964 NA KEGG NA NA +C02244 Aliphatic amide C11H14N4O5 282.0964 NA KEGG NA NA +C02245 Alkyl sulfenate HSOR 282.0964 NA KEGG NA NA +C02246 Angiotensinogen HSOR 282.0964 NA KEGG NA NA +HMDB02721 1-Methylinosine C11H14N4O5 282.096405 NA HMDB2010 NA NA +HMDB02721 1-Methylinosine C11H14N4O5 282.09641 http://www.hmdb.ca/metabolites/HMDB02721 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02721 1-Methylinosine C11H14N4O5 282.09641 http://www.hmdb.ca/metabolites/HMDB02721 HMDB NA NA +HMDB02721 1-Methylinosine C11H14N4O5 282.09641 http://www.hmdb.ca/metabolites/HMDB02721 PFEM_hmdb_metabocards_blood NA blood +HMDB02721 1-Methylinosine C11H14N4O5 282.09641 HMDB02721 PFEM_hmdb_metabocards_official NA NA +MJ022457 6-Methylnebularine; 1''-Hydroxy C11H14N4O5 282.096419 NA MeJP NA NA +MJ022458 9-?-D-Arabinofuranosyl-6-methoxy-9H-purine C11H14N4O5 282.096419 NA MeJP NA NA +MJ022459 9-Deazaguanosine C11H14N4O5 282.096419 NA MeJP NA NA +MJ022460 Inosine; 1H-form, 1-Me C11H14N4O5 282.096419 NA MeJP NA NA +MetaCyc02509 8-oxocoformycin [] C11H14N4O5 282.09642 NA metacyc NA NA +CJneg0495 Methylinosine [(M-H)]- C11H13N4O5 282.096925 C18rt(min)=4.45 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0495 Methylinosine [(M-H)]- C11H13N4O5 282.096925 C18rt(min)=4.45 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ022461 10-Bromo-2,7(14)-chamigradiene C15H23Br 282.098313 NA MeJP NA NA +MJ022462 10-Bromo-2,7-chamigradiene C15H23Br 282.098313 NA MeJP NA NA +C12118 Saphenic acid methyl ester C16H14N2O3 282.1004 NA KEGG NA NA +MJ022463 1,4-Dihydro-4-oxo-7-(1H-pyrrol-1-yl)-3-quinolinecarboxylic acid; N-Et C16H14N2O3 282.100442 NA MeJP NA NA +MJ022464 6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; Me ester C16H14N2O3 282.100442 NA MeJP NA NA +MJ022465 6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; Me ether C16H14N2O3 282.100442 NA MeJP NA NA +MJ022466 Bendazac C16H14N2O3 282.100442 NA MeJP NA NA +MJ022467 Nybomycin; Deoxy C16H14N2O3 282.100442 NA MeJP NA NA +MJ022468 1-[6-(2-Penten-4-ynyl)-2,5-dioxabicyclo[2.2.1]hept-3-yl]-4-pentene-2,3-diol; 3-Deoxy, 3-chloro C15H19ClO3 282.102272 NA MeJP NA NA +MJ022469 ?-(3-Chloro-1-propenyl)-6-(2-penten-4-ynyl)-2,5-dioxabicyclo[2.2.1]heptane-3-ethanol C15H19ClO3 282.102272 NA MeJP NA NA +MJ022470 Tolpentamide C13H18N2O3S 282.103813 NA MeJP NA NA +C14657 2,3-Diphenyl-1-indanone C21H14O 282.1045 NA KEGG NA NA +MJ022471 2'-Amino-2'-deoxyguanosine C10H14N6O4 282.107652 NA MeJP NA NA +C00939 2-Aminoadenosine C10H14N6O4 282.1077 NA KEGG NA NA +8219 antioxidative peptide TY 282.11 NA ;SYN:(carboxymethyl)-Guanidine; 2-[[Amino(imino)methyl]amino]acetate; 2-[[Amino(imino)methyl]amino]acetic acid; Betacyamine; Betasyamine; Glycocyamine; Guanidineacetate; Guanidineacetic acid; Guanidinoacetate; Guanidinoacetic acid; Guanidoacetate; Guanidoacetic acid; Guanidylacetate; Guanidylacetic acid; Guanyl glycine; N-Amidinoglycine; N-amidino-Glycine; [(aminoiminomethyl)amino]-Acetate; [(aminoiminomethyl)amino]-Acetic acid; a-Guanidinoacetate; a-Guanidinoacetic acid; b-Guanidinoacetate; b-Guanidinoacetic acid; alpha-Guanidinoacetate; alpha-Guanidinoacetic acid; beta-Guanidinoacetate; beta-Guanidinoacetic acidH2Blood; Cellular Cytoplasm; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +MJ022472 4-Vinylphenol; O-?-D-Allopyranoside C14H18O6 282.110338 NA MeJP NA NA +MJ022473 4-Vinylphenol; O-?-D-Glucopyranoside C14H18O6 282.110338 NA MeJP NA NA +MJ022474 Aspinolide B; 5-Ketone C14H18O6 282.110338 NA MeJP NA NA +MJ022475 Colletodiol; 11-Ketone C14H18O6 282.110338 NA MeJP NA NA +MJ022476 Colletodiol; 9,10-Dihydro, 11,12-diketone C14H18O6 282.110338 NA MeJP NA NA +MJ022477 Gonioheptolide A C14H18O6 282.110338 NA MeJP NA NA +MJ022478 Phenylacetic acid; ?-L-Rhamnopyranosyl ester C14H18O6 282.110338 NA MeJP NA NA +MJ022479 Eprobemide C14H19ClN2O2 282.113505 NA MeJP NA NA +C15084 2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile C20H14N2 282.1157 NA KEGG NA NA +MJ022480 2-Amino-1-(4-nitrophenyl)-1,3-propanediol, N-(2-Methylpropanoyl) C13H18N2O5 282.121571 NA MeJP NA NA +MJ022481 Antibiotic DC 8118A; 8'-Ketone C13H18N2O5 282.121571 NA MeJP NA NA +MJ022482 Citreoazopyrone C13H18N2O5 282.121571 NA MeJP NA NA +PJ000164 TY C13H18N2O5 282.1216 NA PeJP NA NA +MJ022483 1,12-Diisothiocyanato-1,11-dodecadiene, 1,2-Dihydro C14H22N2S2 282.12244 NA MeJP NA NA +FL1CQUNM0001 Ohobanin C18H18O3 282.12559 128502-81-8 knapsack NA NA +MJ022484 1-(4-Hydroxyphenyl)-2-[4-(1-propenyl)phenoxy]-1-propanol; Ketone C18H18O3 282.125594 NA MeJP NA NA +MJ022485 10,11-Dihydro-2,8-dihydroxy-1,7-dimethyl-6-vinyldibenz[b,f]oxepin C18H18O3 282.125594 NA MeJP NA NA +MJ022486 2,3'-Dihydroxy-4,4'-di-2-propenyldiphenyl ether C18H18O3 282.125594 NA MeJP NA NA +MJ022487 2,3-Dihydro-3-hydroxymethyl-2-(4-hydroxyphenyl)-5-(1-propenyl)benzofuran C18H18O3 282.125594 NA MeJP NA NA +MJ022488 2-(4-Hydroxyphenyl)-5-(2-hydroxypropyl)-3-methylbenzofuran C18H18O3 282.125594 NA MeJP NA NA +MJ022489 3-Tridecene-5,7,9,11-tetrayne-1,2-diol, 1-(3-Methylbutanoyl) C18H18O3 282.125594 NA MeJP NA NA +MJ022490 4,4'-Dihydroxy-7,7'-epoxylignan, 8,8'-Didehydro C18H18O3 282.125594 NA MeJP NA NA +MJ022491 9,10-Dihydro-2,7-dihydroxy-1,8-dimethyl-4-phenanthrenecarboxaldehyde; 2-Me ether C18H18O3 282.125594 NA MeJP NA NA +MJ022492 Gibberellin B; 9,11-Didehydro C18H18O3 282.125594 NA MeJP NA NA +MJ022493 Isomagnolol; 2''',3'''-Dihydro, 1'''-oxo C18H18O3 282.125594 NA MeJP NA NA +MJ022494 Obovatol C18H18O3 282.125594 NA MeJP NA NA +MJ022495 Ohobanin C18H18O3 282.125594 NA MeJP NA NA +MJ022496 Olmecol C18H18O3 282.125594 NA MeJP NA NA +MJ022497 Randainal; 9-Alcohol C18H18O3 282.125594 NA MeJP NA NA +MJ022498 Xochitlodione C18H18O3 282.125594 NA MeJP NA NA +C10878 Randainol C18H18O3 282.1256 NA KEGG NA NA +MJ022499 2-[(Aminoiminomethyl)amino]-6,7-dihydro-N-(1-methylethyl)thiazolo[5,4-c]pyridine-5(4H)-carboxamide C11H18N6OS 282.126279 NA MeJP NA NA +MJ022500 1,3-Butadiene-1,1,4,4-tetracarboxylic acid; Tetrakis(methylamide) C12H18N4O4 282.132805 NA MeJP NA NA +MJ022501 Adecypenol; 4'?,5'-Dihydro C12H18N4O4 282.132805 NA MeJP NA NA +MJ022502 Adecypenol; 4'?,5'-Dihydro C12H18N4O4 282.132805 NA MeJP NA NA +MJ022503 Dupracetam C12H18N4O4 282.132805 NA MeJP NA NA +MJ022504 Homocarnosine, N-Ac C12H18N4O4 282.132805 NA MeJP NA NA +MJ022505 N-Histidylvaline; L-L-form, N1-Formyl C12H18N4O4 282.132805 NA MeJP NA NA +C11486 NAC C17H18N2O2 282.1368 NA KEGG NA NA +C15642 GSK 4716 C17H18N2O2 282.1368 NA KEGG NA NA +MJ022506 3-[2-(2-Benzoxazolyl)ethyl]-5-ethyl-6-methyl-2(1H)-pyridinone C17H18N2O2 282.136827 NA MeJP NA NA +MJ022507 4-Acetyl-5,6,7,8-tetrahydro-1-methyl-7-(4-pyridinyl)-3(2H)-isoquinolinone C17H18N2O2 282.136827 NA MeJP NA NA +MJ022508 Glycozolone A, 4'-Methoxy C17H18N2O2 282.136827 NA MeJP NA NA +MJ022509 2,6-Diamino-3a,4,9,10-tetrahydro-10-hydroxy-1H,8H-pyrrolo[1,2-c]purine-4-methanol; 11-Ac C11H18N6O3 282.144038 NA MeJP NA NA +C09482 Hymenoxon C15H22O5 282.1467 NA KEGG NA NA +C09538 Qing Hau Sau C15H22O5 282.1467 NA KEGG NA NA +C15971 Dihydrophaseic acid C15H22O5 282.1467 NA KEGG NA NA +C15972 Enzyme N6-(lipoyl)lysine C8H14NOS2R 282.1467 NA KEGG NA NA +C15973 Enzyme N6-(dihydrolipoyl)lysine C8H16NOS2R 282.1467 NA KEGG NA NA +MJ022510 1,10-Epoxy-8,9-dihydroxy-4,11(13)-germacradien-12,6-olide, 11?,13-Dihydro C15H22O5 282.146723 NA MeJP NA NA +MJ022511 1,12-Dihydroxy-4,10(14)-cadinadien-15-oic acid; 1-Hydroperoxide C15H22O5 282.146723 NA MeJP NA NA +MJ022512 1,2,11-Trihydroxy-4-eudesmen-12,6-olide C15H22O5 282.146723 NA MeJP NA NA +MJ022513 1,2,4-Trihydroxy-11(13)-pseudoguaien-12,6-olide C15H22O5 282.146723 NA MeJP NA NA +MJ022514 1,3,7,10-Tetrahydroxy-2(9)-illuden-8-one C15H22O5 282.146723 NA MeJP NA NA +MJ022515 1,3-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, 1-hydroperoxide C15H22O5 282.146723 NA MeJP NA NA +MJ022516 1,3-Dihydroxy-4,9-germacradien-12,6-olide, 9?,10?-Epoxide C15H22O5 282.146723 NA MeJP NA NA +MJ022517 1,4,11-Trihydroxy-2-eudesmen-12,6-olide C15H22O5 282.146723 NA MeJP NA NA +MJ022518 1,4,8-Trihydroxy-11(13)-eudesmen-12,6-olide C15H22O5 282.146723 NA MeJP NA NA +MJ022519 1,5,8-Trihydroxy-4(15)-eudesmen-12,6-olide C15H22O5 282.146723 NA MeJP NA NA +MJ022520 1,7-Dihydroxy-1,3,5-bisabolatrien-15-oic acid; 11-Hydroxy C15H22O5 282.146723 NA MeJP NA NA +MJ022521 1,8,10-Trihydroxy-7(11)-eremophilen-12,8-olide C15H22O5 282.146723 NA MeJP NA NA +MJ022522 1,8-Dihydroxy-15-oxo-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro C15H22O5 282.146723 NA MeJP NA NA +MJ022523 1-Hydroxy-5,6-seco-4(15),10(14)-germacradien-5,2-olid-6-oic acid C15H22O5 282.146723 NA MeJP NA NA +MJ022524 10,12-Dihydroxy-1,4-cadinadien-15-oic acid; 10-Hydroperoxide C15H22O5 282.146723 NA MeJP NA NA +MJ022525 2,4,10-Trihydroxy-1(5)-guaien-12,6-olide C15H22O5 282.146723 NA MeJP NA NA +MJ022526 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide C15H22O5 282.146723 NA MeJP NA NA +MJ022527 2,5,8,11,14-Pentadecanepentone C15H22O5 282.146723 NA MeJP NA NA +MJ022528 3,11,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide, 4?,15-Dihydro C15H22O5 282.146723 NA MeJP NA NA +MJ022529 3,4,10-Trihydroxy-1-guaien-12,6-olide C15H22O5 282.146723 NA MeJP NA NA +MJ022530 3,4,10-Trihydroxy-11(13)-guaien-12,6-olide C15H22O5 282.146723 NA MeJP NA NA +MJ022531 3,4,15-Scirpenetriol C15H22O5 282.146723 NA MeJP NA NA +MJ022532 3,4,9-Trihydroxy-1(10)-guaien-12,8-olide C15H22O5 282.146723 NA MeJP NA NA +MJ022533 3,5,7-Trihydroxy-p-menth-1-en-6-one, 5-Tigloyl C15H22O5 282.146723 NA MeJP NA NA +MJ022534 3,6,12,13-Tetrahydroxy-7(11),9-eremophiladien-8-one C15H22O5 282.146723 NA MeJP NA NA +MJ022535 3,7-Dihydroxy-4-eudesmen-12,6-olide, 4?,5?-Epoxide C15H22O5 282.146723 NA MeJP NA NA +MJ022536 3,8,14-Trihydroxy-6-lactaren-5,14-olide C15H22O5 282.146723 NA MeJP NA NA +MJ022537 3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3'-Me ether, 4'-O-(2-methylbutanoyl) C15H22O5 282.146723 NA MeJP NA NA +MJ022538 3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3'-Me ether, 5'-O-(2-methylbutanoyl) C15H22O5 282.146723 NA MeJP NA NA +MJ022539 4,5-Dihydroxy-15-oxo-11(13)-eudesmen-12-oic acid C15H22O5 282.146723 NA MeJP NA NA +MJ022540 4,8,10-Trihydroxy-11(13)-guaien-12,6-olide C15H22O5 282.146723 NA MeJP NA NA +MJ022541 4-Oxo-3,4-secoambrosan-12,6-olid-3-oic acid C15H22O5 282.146723 NA MeJP NA NA +MJ022542 5,12,14-Trihydroxy-3-cedren-15-oic acid C15H22O5 282.146723 NA MeJP NA NA +MJ022543 5,9-Epoxy-6,9-dihydroxy-7-daucen-14-oic acid C15H22O5 282.146723 NA MeJP NA NA +MJ022544 6,7-Epoxy-3,11,12-trihydroxy-9-eremophilen-8-one C15H22O5 282.146723 NA MeJP NA NA +MJ022545 7,8,12-Trihydroxy-5,14-marasmanolide C15H22O5 282.146723 NA MeJP NA NA +MJ022546 Abscisic acid, 13-Hydroxy, 3-alcohol C15H22O5 282.146723 NA MeJP NA NA +MJ022547 Alliacolide; 11?-Hydroxy C15H22O5 282.146723 NA MeJP NA NA +MJ022548 Alliacolide; 12-Hydroxy C15H22O5 282.146723 NA MeJP NA NA +MJ022549 Alliacolide; 1?-Hydroxy C15H22O5 282.146723 NA MeJP NA NA +MJ022550 Antibiotic WAP 4068A; Antibiotic WAP 4068A5 C15H22O5 282.146723 NA MeJP NA NA +MJ022551 Artemisinin G C15H22O5 282.146723 NA MeJP NA NA +MJ022552 Artemisinin C15H22O5 282.146723 NA MeJP NA NA +MJ022553 Biennin A C15H22O5 282.146723 NA MeJP NA NA +MJ022554 Bisbynin C15H22O5 282.146723 NA MeJP NA NA +MJ022555 Debenzoyltashironin C15H22O5 282.146723 NA MeJP NA NA +MJ022556 Deoxyartemisinin; 3?-Hydroxy C15H22O5 282.146723 NA MeJP NA NA +MJ022557 Dihydrophaseic acid C15H22O5 282.146723 NA MeJP NA NA +MJ022558 Hymenoxon C15H22O5 282.146723 NA MeJP NA NA +MJ022559 Illicinone E; 2?,3-Dihydro C15H22O5 282.146723 NA MeJP NA NA +MJ022560 Illicinone E; 2?,3-Dihydro C15H22O5 282.146723 NA MeJP NA NA +MJ022561 Merrillianone C15H22O5 282.146723 NA MeJP NA NA +MJ022562 Ovalicin; O-De-Me C15H22O5 282.146723 NA MeJP NA NA +MJ022563 Oxyhumulinic acid C15H22O5 282.146723 NA MeJP NA NA +MJ022564 Papyracone B; 6-Me ether C15H22O5 282.146723 NA MeJP NA NA +MJ022565 Porellapinguisanolide C15H22O5 282.146723 NA MeJP NA NA +MJ022566 Pseudoanisatin; 13-Hydroxy, 4,7-dideoxy C15H22O5 282.146723 NA MeJP NA NA +MJ022567 Pseudoanisatin; 7-Deoxy C15H22O5 282.146723 NA MeJP NA NA +MJ022568 Pseudomajucin C15H22O5 282.146723 NA MeJP NA NA +MJ022569 Psilostachyin; 11?,13-Dihydro C15H22O5 282.146723 NA MeJP NA NA +MJ022570 Rugosal A; 14-Carboxylic acid C15H22O5 282.146723 NA MeJP NA NA +MJ022571 Rugosic acid D C15H22O5 282.146723 NA MeJP NA NA +MJ022572 Spiropinguisanin C15H22O5 282.146723 NA MeJP NA NA +MJ022573 Wasabidienone B1 C15H22O5 282.146723 NA MeJP NA NA +MJ022574 Wasabienone B0 C15H22O5 282.146723 NA MeJP NA NA +MJ022575 Wenjine C15H22O5 282.146723 NA MeJP NA NA +MetaCyc02510 artemisinin [(+)-Arteannuin;] C15H22O5 282.146724 NA metacyc NA NA +MetaCyc02511 artemisinin [qinghaosu;] C15H22O5 282.146724 NA metacyc NA NA +MJ022576 5-Butyl-7-(3-pyridinylmethoxy)pyrazolo[1,5-a]pyrimidine C16H18N4O 282.148061 NA MeJP NA NA +MJ022577 1,7,9,15-Heptadecatetraene-11,13-diyn-6-ol, Ac C19H22O2 282.161979 NA MeJP NA NA +MJ022578 1,7-Diphenyl-3,5-heptanediol, 1,2-Didehydro (E-) C19H22O2 282.161979 NA MeJP NA NA +MJ022579 1,7-Diphenyl-3,5-heptanediol, 3-Ketone C19H22O2 282.161979 NA MeJP NA NA +MJ022580 1-(4-Hydroxyphenyl)-7-phenyl-6-hepten-3-ol C19H22O2 282.161979 NA MeJP NA NA +MJ022581 2,8,10,16-Heptadecatetraene-4,6-diyn-1-ol, Ac C19H22O2 282.161979 NA MeJP NA NA +MJ022582 2-(3-Methyl-2-butenyl)-5-(2-phenylethyl)-1,3-benzenediol C19H22O2 282.161979 NA MeJP NA NA +MJ022583 3,9,11,17-Octatetraene-5,7-diynoic acid, Me ester C19H22O2 282.161979 NA MeJP NA NA +MJ022584 3-Hydroxyestra-1,3,5(10),9(11)-tetraen-17-one; Me ether C19H22O2 282.161979 NA MeJP NA NA +MJ022585 4-(3-Methyl-2-butenyl)-5-(2-phenylethyl)-1,3-benzenediol C19H22O2 282.161979 NA MeJP NA NA +MJ022586 4-Hydroxymethylathrixianone; 19-Aldehyde C19H22O2 282.161979 NA MeJP NA NA +MJ022587 Cannabivarin C19H22O2 282.161979 NA MeJP NA NA +MJ022588 Miltirone C19H22O2 282.161979 NA MeJP NA NA +MJ022589 Vedaprofen C19H22O2 282.161979 NA MeJP NA NA +C10281 4-Prenyldihydropinosylvin C19H22O2 282.162 NA KEGG NA NA +C13715 Miltirone C19H22O2 282.162 NA KEGG NA NA +C14551 Diethylstilbestrol monomethyl ether C19H22O2 282.162 NA KEGG NA NA +C15308 3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one C19H22O2 282.162 NA KEGG NA NA +MJ022590 1,2,3,6-Tetrahydro-5-[3-(4-methylphenyl)-5-isoxazolyl]-1-propylpyridine C18H22N2O 282.173213 NA MeJP NA NA +MJ022591 16-Hydroxy-16,22-dihydroapparicine C18H22N2O 282.173213 NA MeJP NA NA +MJ022592 Deplancheine, 10-Methoxy C18H22N2O 282.173213 NA MeJP NA NA +MJ022593 Gilbertine C18H22N2O 282.173213 NA MeJP NA NA +MJ022594 Paspaclavine C18H22N2O 282.173213 NA MeJP NA NA +C16508 12-trans-Hydroxy juvenile hormone III C16H26O4 282.1831 NA KEGG NA NA +MJ022595 11-Hydroxy-2,4,10-trimethyl-5-oxo-6,8-tridecadienoic acid C16H26O4 282.183109 NA MeJP NA NA +MJ022596 11-Hydroxy-9-oxo-2-bisabolen-15-oic acid, Me ester C16H26O4 282.183109 NA MeJP NA NA +MJ022597 2,3,4,6,7,8-Hexahydro-4,8-dihydroxy-2-(1-hydroxyheptyl)-5H-1-benzopyran-5-one; 4-Deoxy C16H26O4 282.183109 NA MeJP NA NA +MJ022598 2,3,4,6,7,8-Hexahydro-4,8-dihydroxy-2-(1-hydroxyheptyl)-5H-1-benzopyran-5-one; 8-Epimer, 4-deoxy C16H26O4 282.183109 NA MeJP NA NA +MJ022599 2,6,10-Farnesatrien-1-oic acid; 6S,7S:10R,11-Diepoxide, Me ester C16H26O4 282.183109 NA MeJP NA NA +MJ022600 2-Hydroxy-6-oxo-11-pinguisanoic acid; 2?-form, Me ester C16H26O4 282.183109 NA MeJP NA NA +MJ022601 3,4-Dihydroxy-2-(4-hydroxy-2-decenyl)-2-cyclohexen-1-one C16H26O4 282.183109 NA MeJP NA NA +MJ022602 3-Hydroxy-9-oxo-1-bisabolen-15-oic acid; Me ester C16H26O4 282.183109 NA MeJP NA NA +MJ022603 4,5-Bis(hydroxymethyl)-2-methyl-1,3-benzenediol; O3-Me, O1-(1-methylpentyl) C16H26O4 282.183109 NA MeJP NA NA +MJ022604 4,5-Dioxo-2-hexadecenoic acid C16H26O4 282.183109 NA MeJP NA NA +MJ022605 4,6-Dihydroxy-11(13)-eudesmen-12-oic acid, Me ester C16H26O4 282.183109 NA MeJP NA NA +MJ022606 5,14-Epoxy-5,7,8-marasmanetriol, 5-Me ether C16H26O4 282.183109 NA MeJP NA NA +MJ022607 6,7-Dihydroxy-13,14,15,16-tetranor-3-cleroden-12-oic acid C16H26O4 282.183109 NA MeJP NA NA +MJ022608 7,10-Dihydroxy-2,11-bisaboladien-15-oic acid; Me ester C16H26O4 282.183109 NA MeJP NA NA +MJ022609 7,10-Epoxy-11-hydroxy-2-bisabolen-15-oic acid; 10-Epimer, Me ester C16H26O4 282.183109 NA MeJP NA NA +MJ022610 7,10-Epoxy-11-hydroxy-2-bisabolen-15-oic acid; Me ester C16H26O4 282.183109 NA MeJP NA NA +MJ022611 7,11-Dihydroxy-2,9-bisaboladien-15-oic acid; Me ester C16H26O4 282.183109 NA MeJP NA NA +MJ022612 8-Hydroxy-9-oxo-2-bisabolen-15-oic acid; Me ester C16H26O4 282.183109 NA MeJP NA NA +MJ022613 Fumagillin; Deacyl C16H26O4 282.183109 NA MeJP NA NA +MJ022614 Neovasifuranone A C16H26O4 282.183109 NA MeJP NA NA +C10756 Cadiamine C15H26N2O3 282.1943 NA KEGG NA NA +MJ022615 Cadiamine C15H26N2O3 282.194342 NA MeJP NA NA +MJ022616 19-Norpregna-1,3,5(10),20-tetraen-3-ol C20H26O 282.198365 NA MeJP NA NA +MJ022617 Juvocimene 1 C20H26O 282.198365 NA MeJP NA NA +MJ022618 Retinal, 3,4-Didehydro C20H26O 282.198365 NA MeJP NA NA +MJ022619 11-cis-Dehydroretinal C20H26O 282.198365 NA MeJP NA NA +MJ022620 all-trans-Dehydroretinal C20H26O 282.198365 NA MeJP NA NA +C05918 all-trans-Dehydroretinal C20H26O 282.1984 NA KEGG NA NA +C05919 11-cis-Dehydroretinal C20H26O 282.1984 NA KEGG NA NA +C05920 Porphyropsin C20H26R 282.1984 NA KEGG NA NA +EUR404 Retinoic acid F2 F2 282.198475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR404 Acide retinoique F2 NA 282.198475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR404 Retinoic acid F2 F2 282.198475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR404 Acide retinoique F2 NA 282.198475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR404 Retinoic acid F2 F2 282.198475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR404 Acide retinoique F2 NA 282.198475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR404 Retinoic acid F2 F2 282.198475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR404 Retinoic acid F2 F2 282.198475 standards wishlist analysés sur QTOF HMDB NA NA +EUR404 Retinoic acid F2 F2 282.198475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR404 Acide retinoique F2 NA 282.198475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR404 Retinoic acid F2 F2 282.198475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR404 Retinoic acid F2 F2 282.198475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ022621 Aspidospermidine C19H26N2 282.209598 NA MeJP NA NA +MJ022622 Cleavamine, 15,20-Dihydro C19H26N2 282.209598 NA MeJP NA NA +MJ022623 Melonine C19H26N2 282.209598 NA MeJP NA NA +MJ022624 Quebrachamine C19H26N2 282.209598 NA MeJP NA NA +C09235 (-)-Quebrachamine C19H26N2 282.2096 NA KEGG NA NA +MJ022625 3-(11-Dodecenyl)dihydro-4-hydroxy-5-methyl-2(3H)-furanone C17H30O3 282.219494 NA MeJP NA NA +MJ022626 3-(7-Dodecenyl)dihydro-4-hydroxy-5-methyl-2(3H)-furanone C17H30O3 282.219494 NA MeJP NA NA +MJ022627 4,11-Eudesmanediol; 4?-form, 11-Ac C17H30O3 282.219494 NA MeJP NA NA +MJ022628 5-Hydroxy-4,6,8-trimethyl-6-undecen-3-one, Propanoyl C17H30O3 282.219494 NA MeJP NA NA +MJ022629 6-(1,3-Dimethyl-1-hexenyl)-2-ethyltetrahydro-2-hydroxy-3,5-dimethyl-4H-pyran-4-one C17H30O3 282.219494 NA MeJP NA NA +MJ022630 Litsenolide D1 C17H30O3 282.219494 NA MeJP NA NA +C15465 6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester C17H30O3 282.2195 NA KEGG NA NA +MJ022631 3-Heneicosene-1,8,20-triyne C21H30 282.23475 NA MeJP NA NA +MJ022632 Rhodopsin C21H30 282.234751 NA MeJP NA NA +MJ022633 10-Octadecenoic acid C18H34O2 282.25588 NA MeJP NA NA +MJ022634 11-Cycloheptylundecanoic acid C18H34O2 282.25588 NA MeJP NA NA +MJ022635 11-Hexadecen-1-ol, Ac C18H34O2 282.25588 NA MeJP NA NA +MJ022636 11-Octadecenoic acid C18H34O2 282.25588 NA MeJP NA NA +MJ022637 12-Octadecenoic acid C18H34O2 282.25588 NA MeJP NA NA +MJ022638 13-(2-Cyclopentenyl)tridecanoic acid, 2',3'-Dihydro C18H34O2 282.25588 NA MeJP NA NA +MJ022639 13-Octadecenoic acid C18H34O2 282.25588 NA MeJP NA NA +MJ022640 14-Hydroxy-2,6,10-trimethyl-10-pentadecen-4-one C18H34O2 282.25588 NA MeJP NA NA +MJ022641 15-Octadecenoic acid C18H34O2 282.25588 NA MeJP NA NA +MJ022642 16-Methyl-6-heptadecenoic acid C18H34O2 282.25588 NA MeJP NA NA +MJ022643 16-Methyl-8-heptadecenoic acid C18H34O2 282.25588 NA MeJP NA NA +MJ022644 16-Octadecenoic acid C18H34O2 282.25588 NA MeJP NA NA +MJ022645 18-Hydroxyoctadecanoic acid; Lactone C18H34O2 282.25588 NA MeJP NA NA +MJ022646 3-Octadecenoic acid C18H34O2 282.25588 NA MeJP NA NA +MJ022647 4-Hydroxyoctadecanoic acid, Lactone C18H34O2 282.25588 NA MeJP NA NA +MJ022648 5-Octadecenoic acid C18H34O2 282.25588 NA MeJP NA NA +MJ022649 5-Tetradecen-1-ol, Butanoyl C18H34O2 282.25588 NA MeJP NA NA +MJ022650 6-Methyl-9-heptadecenoic acid C18H34O2 282.25588 NA MeJP NA NA +MJ022651 6-Octadecenoic acid C18H34O2 282.25588 NA MeJP NA NA +MJ022652 7,8-Dimethyl-7-hexadecenoic acid C18H34O2 282.25588 NA MeJP NA NA +MJ022653 7,9-Dimethyl-6-hexadecenoic acid C18H34O2 282.25588 NA MeJP NA NA +MJ022654 7-Hexadecen-1-ol, Ac C18H34O2 282.25588 NA MeJP NA NA +MJ022655 7-Octadecenoic acid C18H34O2 282.25588 NA MeJP NA NA +MJ022656 8-Octadecenoic acid C18H34O2 282.25588 NA MeJP NA NA +MJ022657 9-Hexadecen-1-ol, Ac C18H34O2 282.25588 NA MeJP NA NA +MJ022658 9-Octadecenoic acid C18H34O2 282.25588 NA MeJP NA NA +MetaCyc02512 oleate [octadecenoate (n-C18:1);oleic acid;9-octadecenoic acid;] C18H34O2 282.25588 112-80-1 metacyc NA NA +HMDB00207 Oleic acid C18H34O2 282.25589 http://www.hmdb.ca/metabolites/HMDB00207 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00573 Elaidic acid C18H34O2 282.25589 http://www.hmdb.ca/metabolites/HMDB00573 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00207 Oleic acid C18H34O2 282.25589 http://www.hmdb.ca/metabolites/HMDB00207 HMDB NA NA +HMDB00573 Elaidic acid C18H34O2 282.25589 http://www.hmdb.ca/metabolites/HMDB00573 HMDB NA NA +HMDB03231 Vaccenic acid C18H34O2 282.25589 http://www.hmdb.ca/metabolites/HMDB03231 HMDB NA NA +HMDB00207 Oleic acid C18H34O2 282.25589 http://www.hmdb.ca/metabolites/HMDB00207 PFEM_hmdb_metabocards_blood NA blood +HMDB00573 Elaidic acid C18H34O2 282.25589 http://www.hmdb.ca/metabolites/HMDB00573 PFEM_hmdb_metabocards_blood NA blood +HMDB00207 Oleic acid C18H34O2 282.25589 HMDB00207 PFEM_hmdb_metabocards_official NA NA +HMDB00573 Elaidic acid C18H34O2 282.25589 HMDB00573 PFEM_hmdb_metabocards_official NA NA +HMDB03231 Vaccenic acid C18H34O2 282.25589 HMDB03231 PFEM_hmdb_metabocards_official NA NA +HMDB00207 Oleic acid C18H34O2 282.25589 NA HMDB2010 NA NA +HMDB00573 Elaidic acid C18H34O2 282.25589 NA HMDB2010 NA NA +HMDB03231 Vaccenic acid C18H34O2 282.25589 NA HMDB2010 NA NA +C00712 (9Z)-Octadecenoic acid C18H34O2 282.2559 NA KEGG NA NA +C01712 (9E)-Octadecenoic acid C18H34O2 282.2559 NA KEGG NA NA +C08363 (6Z)-Octadecenoic acid C18H34O2 282.2559 NA KEGG NA NA +C08367 (11E)-Octadecenoic acid C18H34O2 282.2559 NA KEGG NA NA +C12103 omega-Cycloheptylundecanoic acid C18H34O2 282.2559 NA KEGG NA NA +MJ022659 5-(10-Aminoundecyl)hexahydropyrrolo[2,1-b]oxazole C17H34N2O 282.267113 NA MeJP NA NA +MJ022660 Disparlure C19H38O 282.292265 NA MeJP NA NA +HMDB01958 Pristanal C19H38O 282.292267 NA HMDB2010 NA NA +HMDB01958 Pristanal C19H38O 282.29227 http://www.hmdb.ca/metabolites/HMDB01958 HMDB NA NA +HMDB01958 Pristanal C19H38O 282.29227 HMDB01958 PFEM_hmdb_metabocards_official NA NA +MJ022661 9-Octadecene-1,17-diamine C18H38N2 282.303499 NA MeJP NA NA +MJ022662 Eicosane C20H42 282.328651 NA MeJP NA NA +MJ022663 2,6,10,14-Tetramethylhexadecane C20H42 282.328651 NA MeJP NA NA +MJ022664 5,9-Dimethyloctadecane C20H42 282.328651 NA MeJP NA NA +MJ022665 7,11-Dimethyloctadecane C20H42 282.328651 NA MeJP NA NA +3082 hemorphin-4 YPWT 282.6205 MH2+ Inhouse_peptide NA peptide +2714 erythromycin inhibitor MSMVV 282.6244 MH2+ Inhouse_peptide NA peptide +C11065 Nitrofen C12H7Cl2NO3 282.9803 NA KEGG NA NA +MJ022666 Risedronic acid C7H11NO7P2 283.001074 NA MeJP NA NA +MetaCyc02513 risedronate [(1-hydroxy-1-phosphono-2-pyridin-3-yl-ethyl)phosphonic acid;Risedronic acid;] C7H11N1O7P2 283.001075 NA metacyc NA NA +C08233 Risedronic acid C7H11NO7P2 283.0011 NA KEGG NA NA +C10986 Procymidone C13H11Cl2NO2 283.0167 NA KEGG NA NA +MJ022667 Beciparcil C12H13NO3S2 283.033684 NA MeJP NA NA +HMDB06787 Phosphatidyl-N-methylethanolamine C8H14NO8P 283.04568 http://www.hmdb.ca/metabolites/HMDB06787 HMDB NA NA +HMDB06787 Phosphatidyl-N-methylethanolamine C8H14NO8P 283.04568 HMDB06787 PFEM_hmdb_metabocards_official NA NA +C12987 N2-Acetyl-L-aminoadipyl-delta-phosphate C8H14NO8P 283.0457 NA KEGG NA NA +MetaCyc02514 N2acetyl-α-aminoadipyl-δ-phosphate [] C8H14N1O8P1 283.045703 NA metacyc NA NA +MJ022668 N-Acetylcysteine, S-2-Hydroxybenzoyl ester C12H13NO5S 283.051443 NA MeJP NA NA +MJ022669 Tazeprofen C16H13NO2S 283.066699 NA MeJP NA NA +MJ022670 Glutamic acid, N-(3,4-Dihydroxybenzoyl) C12H13NO7 283.069201 NA MeJP NA NA +MJ022671 2'-Deoxythioguanosine C10H13N5O3S 283.073909 NA MeJP NA NA +MJ022672 Ascididemin C18H9N3O 283.074561 NA MeJP NA NA +C08475 Cucumopine C11H13N3O6 283.0804 NA KEGG NA NA +MJ022673 Cucumopine C11H13N3O6 283.080435 NA MeJP NA NA +MJ022674 1-Methoxy-2,3-methylenedioxyacridone; N-Me C16H13NO4 283.084457 NA MeJP NA NA +MJ022675 4-Methylbenzo[g]quinoline-5,10-dione; 6,7-Dimethoxy C16H13NO4 283.084457 NA MeJP NA NA +MJ022676 Avenanthramide D C16H13NO4 283.084457 NA MeJP NA NA +MJ022677 Marcanine A; 3-Methoxy, N-Me C16H13NO4 283.084457 NA MeJP NA NA +MJ022678 Papaveroline C16H13NO4 283.084457 NA MeJP NA NA +MJ022679 2-Amino-6-(1,2,3,4-tetrahydroxybutyl)-4(1H)-pteridinone C10H13N5O5 283.091668 NA MeJP NA NA +MJ022680 4'-Azidothymidine C10H13N5O5 283.091668 NA MeJP NA NA +MJ022681 Guanosine C10H13N5O5 283.091668 NA MeJP NA NA +MJ022682 Isoguanosine C10H13N5O5 283.091668 NA MeJP NA NA +MJ022683 Guanosine C10H13N5O5 283.091668 NA MeJP NA NA +MetaCyc02515 guanosine [nucleoside Q;] C10H13N5O5 283.091669 118-00-3 metacyc NA NA +HMDB00133 Guanosine C10H13N5O5 283.09167 http://www.hmdb.ca/metabolites/HMDB00133 PFEM_hmdb_metabocards_urine NA urine +HMDB03333 8-Hydroxy-deoxyguanosine C10H13N5O5 283.09167 http://www.hmdb.ca/metabolites/HMDB03333 PFEM_hmdb_metabocards_urine NA urine +EUR052 8(OH)-DG C10H13N5O5 283.09167 Wishlist PFEM_hmdb_metabocards_urine NA urine +HMDB00133 Guanosine C10H13N5O5 283.09167 http://www.hmdb.ca/metabolites/HMDB00133 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03333 8-Hydroxy-deoxyguanosine C10H13N5O5 283.09167 http://www.hmdb.ca/metabolites/HMDB03333 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR052 8(OH)-DG C10H13N5O5 283.09167 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00133 Guanosine C10H13N5O5 283.09167 http://www.hmdb.ca/metabolites/HMDB00133 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB03333 8-Hydroxy-deoxyguanosine C10H13N5O5 283.09167 http://www.hmdb.ca/metabolites/HMDB03333 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR052 8(OH)-DG C10H13N5O5 283.09167 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00133 Guanosine C10H13N5O5 283.09167 http://www.hmdb.ca/metabolites/HMDB00133 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB03333 8-Hydroxy-deoxyguanosine C10H13N5O5 283.09167 http://www.hmdb.ca/metabolites/HMDB03333 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR052 8(OH)-DG C10H13N5O5 283.09167 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00133 Guanosine C10H13N5O5 283.09167 http://www.hmdb.ca/metabolites/HMDB00133 HMDB NA NA +HMDB03333 8-Hydroxy-deoxyguanosine C10H13N5O5 283.09167 http://www.hmdb.ca/metabolites/HMDB03333 HMDB NA NA +EUR052 8(OH)-DG C10H13N5O5 283.09167 Wishlist HMDB NA NA +EUR052 8(OH)-DG C10H13N5O5 283.09167 Wishlist Inhouse_PFEM NA NA +HMDB00133 Guanosine C10H13N5O5 283.09167 http://www.hmdb.ca/metabolites/HMDB00133 PFEM_hmdb_metabocards_blood NA blood +HMDB03333 8-Hydroxy-deoxyguanosine C10H13N5O5 283.09167 http://www.hmdb.ca/metabolites/HMDB03333 PFEM_hmdb_metabocards_blood NA blood +EUR052 8(OH)-DG C10H13N5O5 283.09167 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR052 8(OH)-DG C10H13N5O5 283.09167 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00133 Guanosine C10H13N5O5 283.09167 HMDB00133 PFEM_hmdb_metabocards_official NA NA +HMDB03333 8-Hydroxy-deoxyguanosine C10H13N5O5 283.09167 HMDB03333 PFEM_hmdb_metabocards_official NA NA +HMDB00133 Guanosine C10H13N5O5 283.091675 NA HMDB2010 NA NA +HMDB03333 8-Hydroxy-deoxyguanosine C10H13N5O5 283.091675 NA HMDB2010 NA NA +EUR052 8(OH)-DG C10H13N5O5 283.0917 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR052 8(OH)-DG C10H13N5O5 283.0917 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR052 8(OH)-DG C10H13N5O5 283.0917 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR052 8(OH)-DG C10H13N5O5 283.0917 Wishlist Inhousejuil11 NA NA +C00387 Guanosine C10H13N5O5 283.0917 NA KEGG NA NA +C08432 Crotonoside C10H13N5O5 283.0917 NA KEGG NA NA +EUR332 8-hydroxydeoxyguanosine F1 NA 283.093975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR332 8-hydroxydeoxyguanosine F1 NA 283.093975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR332 8-hydroxydeoxyguanosine F1 NA 283.093975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR332 8-hydroxydeoxyguanosine F1 NA 283.093975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR332 8-hydroxydeoxyguanosine F1 NA 283.093975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR332 8-hydroxydeoxyguanosine F1 NA 283.093975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR332 8-hydroxydeoxyguanosine F1 NA 283.093975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR332 8-hydroxydeoxyguanosine F1 NA 283.093975 standards wishlist analysés sur QTOF HMDB NA NA +EUR332 8-hydroxydeoxyguanosine F1 NA 283.093975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR332 8-hydroxydeoxyguanosine F1 NA 283.093975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR332 8-hydroxydeoxyguanosine F1 NA 283.093975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR332 8-hydroxydeoxyguanosine F1 NA 283.093975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ022684 Cariporide C12H17N3O3S 283.099062 NA MeJP NA NA +CJpos0680 Methylinosine [(M+H)]+ (13C) C1013CH15N4O5 283.099275 C18rt(min)=4.45 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0680 Methylinosine [(M+H)]+ (13C) C1013CH15N4O5 283.099275 C18rt(min)=4.45 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB03950 7-Methylinosine C11H15N4O5 283.104248 NA HMDB2010 NA NA +HMDB03950 7-Methylinosine C11H15N4O5 283.10425 http://www.hmdb.ca/metabolites/HMDB03950 HMDB NA NA +HMDB03950 7-Methylinosine C11H15N4O5 283.10425 HMDB03950 PFEM_hmdb_metabocards_official NA NA +MJ022685 2-Amino-9-[2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,9-dihydro-6H-purin-6-one C11H14FN5O3 283.108067 NA MeJP NA NA +MJ022686 1-(3-Indolyl)-?-carboline C19H13N3 283.110947 NA MeJP NA NA +MJ022687 Afloqualone C16H14FN3O 283.11209 NA MeJP NA NA +MJ022688 Methylene blue C16H18N3S(+) 283.114318 NA MeJP NA NA +8115 peptide derived from sardinelle by-products proteins (Sardinella aurita) GAH 283.116 anticancer Inhouse_peptide NA peptide +MJ022689 Vedaclidine C13H21N3S2 283.117689 NA MeJP NA NA +C01735 Morphinone C17H17NO3 283.1208 NA KEGG NA NA +C10634 Acrophylline C17H17NO3 283.1208 NA KEGG NA NA +MJ022690 Morphinone C17H17NO3 283.120843 NA MeJP NA NA +MJ022691 1,2,10-Trimethoxyaporphine, O1,O10,N-Tri-de-Me C17H17NO3 283.120843 NA MeJP NA NA +MJ022692 2-(Methylamino)benzoic acid; N-(3-Phenylpropanoyl) C17H17NO3 283.120843 NA MeJP NA NA +MJ022693 2-Amino-1-phenylethanol, N-Benzoyl, O-Ac C17H17NO3 283.120843 NA MeJP NA NA +MJ022694 4-(2-Aminoethyl)phenol; N-(4-Hydroxy-E-cinnamoyl) C17H17NO3 283.120843 NA MeJP NA NA +MJ022695 4-(2-Aminoethyl)phenol; N-(4-Hydroxy-Z-cinnamoyl) C17H17NO3 283.120843 NA MeJP NA NA +MJ022696 7-Hydroxy-4-methoxy-8-prenylfuro[2,3-b]quinoline C17H17NO3 283.120843 NA MeJP NA NA +MJ022697 8-(1,1-Dimethyl-2-propenyl)-4-methoxyfuro[2,3-b]quinolin-7-ol C17H17NO3 283.120843 NA MeJP NA NA +MJ022698 Cinnamolaurine, N-De-Me C17H17NO3 283.120843 NA MeJP NA NA +MJ022699 Coccuvine; Natural-form, 8-Oxo C17H17NO3 283.120843 NA MeJP NA NA +MJ022700 Crotonosine C17H17NO3 283.120843 NA MeJP NA NA +MJ022701 Crotsparine C17H17NO3 283.120843 NA MeJP NA NA +MJ022702 Erythrocarine C17H17NO3 283.120843 NA MeJP NA NA +MJ022703 Foliminine C17H17NO3 283.120843 NA MeJP NA NA +MJ022704 Furo[2,3-b]quinoline-4,7-diol; NH-form, 7-Me ether, N-(3-methyl-2-butenyl) C17H17NO3 283.120843 NA MeJP NA NA +MJ022705 Furo[2,3-b]quinoline-4,7-diol; OH-form, 7-O-(3-Methyl-2-butenyl), O4-Me C17H17NO3 283.120843 NA MeJP NA NA +MJ022706 Furo[2,3-b]quinoline-4,8-diol; OH-form, 8-O-(3-Methyl-2-butenyl), O4-Me C17H17NO3 283.120843 NA MeJP NA NA +MJ022707 Graciline C17H17NO3 283.120843 NA MeJP NA NA +MJ022708 N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]cinnamide C17H17NO3 283.120843 NA MeJP NA NA +MJ022709 Oripavine; N-De-Me C17H17NO3 283.120843 NA MeJP NA NA +MJ022710 Pachyconfine; 6-Epimer, N-de-Me C17H17NO3 283.120843 NA MeJP NA NA +MJ022711 Pachyconfine; N-De-Me C17H17NO3 283.120843 NA MeJP NA NA +MetaCyc02516 morphinone [] C17H17N1O3 283.120843 NA metacyc NA NA +HMDB02372 N-Phenylacetylphenylalanine C17H17NO3 283.12085 http://www.hmdb.ca/metabolites/HMDB02372 HMDB NA NA +HMDB03563 Morphinone C17H17NO3 283.12085 http://www.hmdb.ca/metabolites/HMDB03563 HMDB NA NA +HMDB02372 N-Phenylacetylphenylalanine C17H17NO3 283.12085 HMDB02372 PFEM_hmdb_metabocards_official NA NA +HMDB03563 Morphinone C17H17NO3 283.12085 HMDB03563 PFEM_hmdb_metabocards_official NA NA +HMDB02372 N-Phenylacetylphenylalanine C17H17NO3 283.12085 NA HMDB2010 NA NA +HMDB03563 Morphinone C17H17NO3 283.12085 NA HMDB2010 NA NA +PJ000165 QH C11H17N5O4 283.1281 NA PeJP NA NA +MJ022712 3-Ethylidene-6-(1H-indol-3-ylmethyl)-4-methyl-2,5-piperazinedione C16H17N3O2 283.132076 NA MeJP NA NA +MJ022713 Amonafide C16H17N3O2 283.132076 NA MeJP NA NA +MJ022714 Cyclo(tryptophanylprolyl); L-L-form C16H17N3O2 283.132076 NA MeJP NA NA +MJ022715 Dazmegrel C16H17N3O2 283.132076 NA MeJP NA NA +MJ022716 Lysergic acid, Amide, 8-hydroxy C16H17N3O2 283.132076 NA MeJP NA NA +MJ022717 Lysergic acid, C8-Epimer, amide, 8-hydroxy C16H17N3O2 283.132076 NA MeJP NA NA +MJ022718 Paspalic acid; 10-Hydroxy, 10-epimer, amide C16H17N3O2 283.132076 NA MeJP NA NA +MJ022719 Paspalic acid; 10-Hydroxy, amide C16H17N3O2 283.132076 NA MeJP NA NA +C10953 Metolachlor C15H22ClNO2 283.1339 NA KEGG NA NA +7633 ACE inhibitor from k-CN (fr, 120-122) PAP 283.141 antioxidative Inhouse_peptide NA peptide +MJ022720 2-Amino-4-(3,4,5-trihydroxyphenyl)butanoic acid; 3',5'-Di-Me ether, N,N-di-Me C14H21NO5 283.141972 NA MeJP NA NA +MJ022721 Mescaloruvic acid C14H21NO5 283.141972 NA MeJP NA NA +MJ022722 Bemitradine C15H17N5O 283.14331 NA MeJP NA NA +7844 ACE inhibitor HK 283.152 immunomodulating Inhouse_peptide NA peptide +PJ000166 APP C13H21N3O4 283.1532 NA PeJP NA NA +MJ022723 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-phenylisoquinoline C18H21NO2 283.157228 NA MeJP NA NA +MJ022724 3,5-Bis(3-methyl-2-butenyl)-1H-indole; 1''-Oxo, 2'R,3'-epoxide C18H21NO2 283.157228 NA MeJP NA NA +MJ022725 3,5-Bis(3-methyl-2-butenyl)-1H-indole; 1''-Oxo, ?3'-isomer, 2'-hydroxy C18H21NO2 283.157228 NA MeJP NA NA +MJ022726 Apogalanthamine; Di-Me ether C18H21NO2 283.157228 NA MeJP NA NA +MJ022727 Asteranthine; 2', 3'-Didehydro, 2',3'-epoxide C18H21NO2 283.157228 NA MeJP NA NA +MJ022728 Coccuvine; Natural-form, Me ether C18H21NO2 283.157228 NA MeJP NA NA +MJ022729 Methyldesorphine C18H21NO2 283.157228 NA MeJP NA NA +MJ022730 N-(Benzyloxy)-N-(3-phenylpropyl)acetamide C18H21NO2 283.157228 NA MeJP NA NA +MJ022731 Naranol C18H21NO2 283.157228 NA MeJP NA NA +MJ022732 ?,?-Dimethyl-5-(3-methyl-1-oxo-2-butenyl)-1H-indole-3-propanal C18H21NO2 283.157228 NA MeJP NA NA +MJ022733 6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium C18H22NO2(+) 283.157228 NA MeJP NA NA +MJ022734 Cadralazine C12H21N5O3 283.164439 NA MeJP NA NA +PJ000167 KH C12H21N5O3 283.1645 NA PeJP NA NA +MJ022735 Amabiline C15H25NO4 283.178358 NA MeJP NA NA +C10263 Amabiline C15H25NO4 283.1784 NA KEGG NA NA +C10403 Supinine C15H25NO4 283.1784 NA KEGG NA NA +C07069 Levallorphan C19H25NO 283.1936 NA KEGG NA NA +C13683 Histrionicotoxin C19H25NO 283.1936 NA KEGG NA NA +MJ022736 2,4,12-Tetradecatriene-8,10-diynoic acid, 3-Methylbutylamide C19H25NO 283.193614 NA MeJP NA NA +MJ022737 2,4-Tetradecadiene-8,10-diynoic acid, Piperidide C19H25NO 283.193614 NA MeJP NA NA +MJ022738 2-(Diphenylmethoxy)-N,N-diethylethanamine C19H25NO 283.193614 NA MeJP NA NA +MJ022739 3-Methyl-2-(2-nonenyl)-4(1H)-quinolinone C19H25NO 283.193614 NA MeJP NA NA +MJ022740 Alentemol C19H25NO 283.193614 NA MeJP NA NA +MJ022741 Drobuline C19H25NO 283.193614 NA MeJP NA NA +MJ022742 Etoloxamine C19H25NO 283.193614 NA MeJP NA NA +MJ022743 Hexapradol C19H25NO 283.193614 NA MeJP NA NA +MJ022744 Histrionicotoxins; Histrionicotoxin 283A C19H25NO 283.193614 NA MeJP NA NA +MJ022745 Levallorphan C19H25NO 283.193614 NA MeJP NA NA +MJ022746 Tesmilifene C19H25NO 283.193614 NA MeJP NA NA +MJ022747 Bibenzonium(1+) C19H26NO(+) 283.193614 NA MeJP NA NA +MJ022748 16-Hydroxy-4-hexadecenoic acid; Methylamide C17H33NO2 283.251129 NA MeJP NA NA +C13846 Octadecanamide C18H37NO 283.2875 NA KEGG NA NA +MJ022749 Octadecanoic acid; Amide C18H37NO 283.287514 NA MeJP NA NA +MJ022750 Hexadecyltrimethylammonium(1+) C19H42N(+) 283.3239 NA MeJP NA NA +7901 peptide from bovine b-lactoglobulin WYSL 283.629 MH2+ Inhouse_peptide NA peptide +7489 b-lactokinin (fr, of b-lactoglobulin: 142-146) ALPMH 283.6357 MH2+ Inhouse_peptide NA peptide +MJ022751 2,6-Dibromo-4-chlorophenol C6H3Br2ClO 283.823917 NA MeJP NA NA +MJ022752 2-(Dibromomethylene)hexanoic acid C7H10Br2O2 283.904754 NA MeJP NA NA +C14445 Tris(2-chloroethyl)phosphate C6H12Cl3O4P 283.9539 NA KEGG NA NA +MJ022753 1,2,3-Propanetriphosphonic acid C3H11O9P3 283.961591 NA MeJP NA NA +MJ022754 Bromebric acid C11H9BrO4 283.968421 NA MeJP NA NA +MJ022755 Disulfamide C7H9ClN2O4S2 283.969225 NA MeJP NA NA +MJ022756 3-(Bromomethyl)-2,3-dichloro-7-methyl-1,6-octadiene C10H15BrCl2 283.973418 NA MeJP NA NA +MJ022757 3-Bromo-8-chloro-6-chloromethyl-2-methyl-1,6-octadiene C10H15BrCl2 283.973418 NA MeJP NA NA +MJ022758 8-Bromo-3,7-dichloro-2,6-dimethyl-1,5-octadiene C10H15BrCl2 283.973418 NA MeJP NA NA +C06638 1-Chloro-2,2-bis(4'-chlorophenyl)ethane C14H11Cl3 283.9926 NA KEGG NA NA +C15392 1-Chloro-4-(2,2-dichloro-1-phenylethyl)benzene C14H11Cl3 283.9926 NA KEGG NA NA +MJ022759 1-Chloro-2,2-bis(4'-chlorophenyl)ethane C14H11Cl3 283.992633 NA MeJP NA NA +MJ022760 2,3',4,5',6-Pentahydroxydiphenyl ether; Monochloro C12H9ClO6 284.008765 NA MeJP NA NA +C11122 DTP C12H10Cl2N2O2 284.0119 NA KEGG NA NA +MJ022761 Sulfachlorpyridazine C10H9ClN4O2S 284.013473 NA MeJP NA NA +MJ022762 Sulfaclozine C10H9ClN4O2S 284.013473 NA MeJP NA NA +FLIE1LNS0001 Repensol3,7,9-Trihydroxycoumestan;7,10,12-Trihydroxycoumestan C15H8O6 284.03208 33280-69-2 knapsack NA NA +FLIE2ANS0001 Lucernol;2,3,9-Trihydroxycoumestan C15H8O6 284.03208 15402-22-9 knapsack NA NA +FLIEAANS0001 Aureol;1,3,9-Trihydroxycoumestan C15H8O6 284.03208 88478-03-9 knapsack NA NA +FLIG1LNS0001 Lupinalbin A C15H8O6 284.03208 98094-87-2 knapsack NA NA +FLNARNNS0002 7,4',5'-Trihydroxy-5,2'-oxido-4-phenylcoumarin C15H8O6 284.03208 87865-19-8 knapsack NA NA +MJ022763 1,3,5-Trihydroxyanthraquinone-2-carboxaldehyde C15H8O6 284.032087 NA MeJP NA NA +MJ022764 1,3,8-Trihydroxyanthraquinone-2-carboxaldehyde C15H8O6 284.032087 NA MeJP NA NA +MJ022765 1,3,9-Trihydroxycoumestan C15H8O6 284.032087 NA MeJP NA NA +MJ022766 1,3-Dihydroxyanthraquinone-2-carboxylic acid C15H8O6 284.032087 NA MeJP NA NA +MJ022767 1,4-Dihydroxyanthraquinone-2-carboxylic acid C15H8O6 284.032087 NA MeJP NA NA +MJ022768 2,3,9-Trihydroxycoumestan C15H8O6 284.032087 NA MeJP NA NA +MJ022769 3,4,5-Trihydroxyanthraquinone-2-carboxaldehyde C15H8O6 284.032087 NA MeJP NA NA +MJ022770 3,4,9-Trihydroxycoumestan C15H8O6 284.032087 NA MeJP NA NA +MJ022771 3,7,9-Trihydroxycoumestan C15H8O6 284.032087 NA MeJP NA NA +MJ022772 3-(Hydroxymethyl)furo[3,2-b]naphtho[2,3-d]furan-5,10-dione; 9-Hydroxy C15H8O6 284.032087 NA MeJP NA NA +MJ022773 4,5,7-Trihydroxyanthraquinone-2-carboxaldehyde C15H8O6 284.032087 NA MeJP NA NA +MJ022774 4,5-Dihydroxyanthraquinone-2-carboxylic acid C15H8O6 284.032087 NA MeJP NA NA +MJ022775 5,9,10-Trihydroxy-2H-pyrano[2,3,4-kl]xanthen-2-one C15H8O6 284.032087 NA MeJP NA NA +MJ022776 Ayamenin B; 7-Hydroxy C15H8O6 284.032087 NA MeJP NA NA +MJ022777 Lupinalbin A C15H8O6 284.032087 NA MeJP NA NA +MJ022778 Riccionidin A C15H9O6(+) 284.032088 NA MeJP NA NA +C10401 Rhein C15H8O6 284.0321 NA KEGG NA NA +MJ022779 Sulfaethidole C10H12N4O2S2 284.040167 NA MeJP NA NA +MJ022780 Cinnabarine; 1''-Aldehyde C14H8N2O5 284.043321 NA MeJP NA NA +MJ022781 Cinnabarine; 1'-Aldehyde, 1''-carboxylic acid C14H8N2O5 284.043321 NA MeJP NA NA +MJ022782 Tiopinac C16H12O3S 284.050714 NA MeJP NA NA +MJ022783 6-Thioinosine C10H12N4O4S 284.057925 NA MeJP NA NA +MJ022784 Tris(2-nitroxyethyl)amine C6H12N4O9 284.060428 NA MeJP NA NA +MJ022785 Taurolidine C7H16N4O4S2 284.061296 NA MeJP NA NA +MJ022786 1,2-Dithiolo[4,3-b]pyrrol-5(4H)-one; N6-(5-Methylhexanoyl) C12H16N2O2S2 284.065319 NA MeJP NA NA +MJ022787 1,2-Dithiolo[4,3-b]pyrrol-5(4H)-one; N6-Heptanoyl C12H16N2O2S2 284.065319 NA MeJP NA NA +JH193 Biochanin A [M+H]+ C16H12O5 284.0679 21.2 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH193 Biochanin A [M+H]+ C16H12O5 284.0679 21.2 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH193 Biochanin A [M+H]+ C16H12O5 284.0679 21.2 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH193 Biochanin A [M+H]+ C16H12O5 284.0679 21.2 Inhousejuil11 NA NA +JH194 Glycitein [M+H]+ C16H12O5 284.06794 16.16 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH194 Glycitein [M+H]+ C16H12O5 284.06794 16.16 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH194 Glycitein [M+H]+ C16H12O5 284.06794 16.16 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH194 Glycitein [M+H]+ C16H12O5 284.06794 16.16 Inhousejuil11 NA NA +FL3F1CNS0002 Geraldone C16H12O5 284.06847 21583-32-4 knapsack NA NA +FL3F1CNS0006 Farnisin;3',7-Dihydroxy-4'-methoxyflavone;7-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one C16H12O5 284.06847 54867-60-6 knapsack NA NA +FL3FA8NS0002 Echioidinin C16H12O5 284.06847 4308-56-9 knapsack NA NA +FL3FA8NS0004 7,2'-Dihydroxy-5-methoxyflavone;7-Hydroxy-2-(2-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-one C16H12O5 284.06847 71592-45-5 knapsack NA NA +FL3FAANM0001 6-Methylapigenin;5,7,4'-Trihydroxy-6-methylflavone;5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methyl-4H-1-benzopyran-4-one C16H12O5 284.06847 5526-57-8 knapsack NA NA +FL3FABNS0001 Acacetin C16H12O5 284.06847 480-44-4 knapsack NA NA +FL3FBANS0001 Thevetiaflavone C16H12O5 284.06847 29376-68-9 knapsack NA NA +FL3FCANS0001 Genkwanin C16H12O5 284.06847 437-64-9 knapsack NA NA +FL3FE9NS0002 Oroxylin A C16H12O5 284.06847 480-11-5 knapsack NA NA +FL3FE9NS0003 Negletein C16H12O5 284.06847 29550-13-8 knapsack NA NA +FL3FF9NS0002 Wogonin;5,7-Dihydroxy-8-methoxyflavone C16H12O5 284.06847 632-85-9 knapsack NA NA +FL3FF9NS0007 5,8-Dihydroxy-7-methoxyflavone C16H12O5 284.06847 4431-47-4 knapsack NA NA +FL5F1ANS0002 5-Deoxyrhamnocitrin C16H12O5 284.06847 84638-53-9 knapsack NA NA +FL5F39NS0001 Zuccagin C16H12O5 284.06847 94393-12-1 knapsack NA NA +FL5FA9NM0001 8-C-Methylgalangin C16H12O5 284.06847 97208-78-1 knapsack NA NA +FL5FA9NS0003 Galangin 3-methyl ether;5,7-Dihydroxy-3-methoxyflavone;3-Methylgalangin;5,7-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one C16H12O5 284.06847 6665-74-3 knapsack NA NA +FL5FA9NS0004 Galangin 5-methyl ether C16H12O5 284.06847 104594-69-6 knapsack NA NA +FL5FA9NS0005 Izalpinin;7-O-Methylgalangin;Galangin 7-methyl ether;3,5-Dihydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one;3,5-Dihydroxy-7-methoxyflavone C16H12O5 284.06847 480-14-8 knapsack NA NA +FLIA1CNS0004 Calycosin;3'-Hydroxyformononetin C16H12O5 284.06847 20575-57-9 knapsack NA NA +FLIA1CNS0005 3'-Methoxydaidzein C16H12O5 284.06847 21913-98-4 knapsack NA NA +FLIA1LNS0001 Xenognosin B;2'-Hydroxyformononetin C16H12O5 284.06847 1890-99-9 knapsack NA NA +FLIA1LNS0004 Teralin C16H12O5 284.06847 56581-76-1 knapsack NA NA +FLIA28NS0001 7,2'-Dihydroxy-6-methoxyisoflavone C16H12O5 284.06847 85580-25-2 knapsack NA NA +FLIA2ANS0002 Texasin;6,7-Dihydroxy-4'-methoxyisoflavone C16H12O5 284.06847 897-46-1 knapsack NA NA +FLIA2ANS0004 Kakkatin C16H12O5 284.06847 57960-04-0 knapsack NA NA +FLIA2ANS0005 Glycitein;7,4'-Dihydroxy-6-methoxyisoflavone C16H12O5 284.06847 40957-83-3 knapsack NA NA +FLIA3ANS0001 Retusin(Dalbergia);7,8-Dihydroxy-4'-methoxyisoflavone C16H12O5 284.06847 37816-19-6 knapsack NA NA +FLIAABNS0001 Biochanin A;Pratensol;Olmelin;Genistein 4'-methyl ether;5,7-Dihydroxy-4'-methoxyisoflavone C16H12O5 284.06847 491-80-5 knapsack NA NA +FLIABANS0001 5-O-Methylgenistein C16H12O5 284.06847 4569-98-6 knapsack NA NA +FLIACANS0001 Prunetin;Prunusetin;Padmakastein;5,4'-Dihydroxy-7-methoxyisoflavone C16H12O5 284.06847 552-59-0 knapsack NA NA +FLID1CNS0001 (-)-Maackiain;Inermin;Demethylpterocarpin;3-Hydroxy-8,9-methylenedioxypterocarpan C16H12O5 284.06847 2035-15-6 knapsack NA NA +FLIH1LNS0001 7,2'-Dihydroxy-4'-methoxy-3-phenylcoumarin C16H12O5 284.06847 54300-95-7 knapsack NA NA +FLII1CNS0003 2'-Hydroxy-4'-methoxy-5,6-methylenedioxy-2-phenylbenzofuran C16H12O5 284.06847 67236-31-1 knapsack NA NA +FLNA1CNS0001 7,3'-Dihydroxy-4'-methoxy-4-phenylcoumarin C16H12O5 284.06847 89701-84-8 knapsack NA NA +FLNA29NS0005 Stevenin C16H12O5 284.06847 36286-69-8 knapsack NA NA +FLNA2ANS0001 Melannin;Melanettin C16H12O5 284.06847 58115-08-5 knapsack NA NA +FLNAABNS0001 5,7-Dihydroxy-4'-methoxy-4-phenylcoumarin C16H12O5 284.06847 97746-16-2 knapsack NA NA +MJ022788 1,2,3-Trihydroxy-6-methylanthraquinone; 3-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022789 1,2,3-Trihydroxy-7-methylanthraquinone; 2-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022790 1,2,3-Trihydroxyanthraquinone; 1,3-Di-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022791 1,2,3-Trihydroxyanthraquinone; 2,3-Di-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022792 1,2,4-Trihydroxy-3-methylanthraquinone; 4-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022793 1,2,4-Trihydroxy-7-methylanthraquinone; 2-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022794 1,2,4-Trihydroxyanthraquinone; 1,4-Di-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022795 1,2,5-Trihydroxy-3-methylanthraquinone; 1-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022796 1,2,5-Trihydroxy-6-methylanthraquinone; 1-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022797 1,2,5-Trihydroxy-6-methylanthraquinone; 2-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022798 1,2,8-Trihydroxy-3-methylanthraquinone; 1-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022799 1,2,8-Trihydroxy-6-methylanthraquinone; 1-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022800 1,2,8-Trihydroxy-7-methylanthraquinone; 2-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022801 1,3,5-Trihydroxy-7-methylanthraquinone; 3-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022802 1,3,6-Trihydroxy-7-methylanthraquinone; 1-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022803 1,3,7-Trihydroxy-6-methylanthraquinone; 1-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022804 1,3,7-Trihydroxy-6-methylanthraquinone; 3-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022805 1,3,8-Trihydroxy-6-methylanthraquinone; 1-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022806 1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022807 1,3,8-Trihydroxy-6-methylanthraquinone; 8-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022808 1,3,8-Trihydroxyanthraquinone; 1,3-Di-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022809 1,3,8-Trihydroxyanthraquinone; 3,8-Di-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022810 1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022811 1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022812 1,3-Dihydroxy-2-hydroxymethylanthraquinone; 3-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022813 1,4,5-Trihydroxy-2-methylanthraquinone; 1-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022814 1,5-Dihydroxy-3-hydroxymethylanthraquinone; 1-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022815 1,6,7-Trihydroxy-2-methylanthraquinone; 6-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022816 1,6,8-Trihydroxy-2-methylanthraquinone; 6-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022817 1,8-Dihydroxy-2-hydroxymethylanthraquinone; 8-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022818 2',4',7-Trihydroxyisoflavone; 2'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022819 2',4',7-Trihydroxyisoflavone; 4'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022820 2',4',7-Trihydroxyisoflavone; 7-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022821 2',5',7-Trihydroxyisoflavone; 5'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022822 2',5,7-Trihydroxy-6-methylisoflavone C16H12O5 284.068473 NA MeJP NA NA +MJ022823 2',5,7-Trihydroxyflavone; 2'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022824 2',5,7-Trihydroxyflavone; 5-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022825 2',5,7-Trihydroxyflavone; 7-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022826 2',6,7-Trihydroxyisoflavone; 6-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022827 2,3,9-Trihydroxy-1,4-anthraquinone; 2,3-Di-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022828 2,6(7)-Dihydroxy-1-methoxy-3-methylanthraquinone C16H12O5 284.068473 NA MeJP NA NA +MJ022829 2,6,7-Trihydroxy-5H-phenanthro[4,5-bcd]pyran-5-one; 6-Me ether, 9,10-dihydro C16H12O5 284.068473 NA MeJP NA NA +MJ022830 2,6,7-Trihydroxy-5H-phenanthro[4,5-bcd]pyran-5-one; 7-Me ether, 9,10-dihydro C16H12O5 284.068473 NA MeJP NA NA +MJ022831 2-(2,4-Dihydroxyphenyl)-5,6-dihydroxybenzofuran; 5,6-Methylene, 4'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022832 2-(2,4-Dihydroxyphenyl)-5,6-methylenedioxybenzofuran; 4'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022833 2-(6-Hydroxy-2-methoxy-3,4-methylenedioxyphenyl)benzofuran C16H12O5 284.068473 NA MeJP NA NA +MJ022834 3',4',7-Trihydroxyflavone; 3'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022835 3',4',7-Trihydroxyflavone; 4'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022836 3',4',7-Trihydroxyisoflavone; 3'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022837 3',4',7-Trihydroxyisoflavone; 4'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022838 3',5,7-Trihydroxyisoflavone; 3'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022839 3,4',7-Trihydroxyflavone; 7-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022840 3,5,7-Trihydroxy-8-methylflavone C16H12O5 284.068473 NA MeJP NA NA +MJ022841 3,5,7-Trihydroxyflavone; 3-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022842 3,5,7-Trihydroxyflavone; 5-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022843 3,5,7-Trihydroxyflavone; 7-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022844 3,6,7-Trihydroxyflavone; 3-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022845 3,7,8-Trihydroxyflavone; 8-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022846 3,8,9-Trihydroxypterocarpene; 3-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022847 3-(2,4-Dihydroxyphenyl)-7-hydroxy-2H-1-benzopyran-2-one; 4'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022848 3-(3,4-Dihydroxybenzyl)-7-hydroxy-4-chromanone, 3,9-Didehydro(E-) C16H12O5 284.068473 NA MeJP NA NA +MJ022849 3-(3,4-Dihydroxybenzylidene)-7-hydroxy-4-chromanone C16H12O5 284.068473 NA MeJP NA NA +MJ022850 3-(3,4-Dihydroxyphenyl)-8-hydroxy-2H-1-benzopyran-2-one; 4'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022851 4',5,6,7-Tetrahydroxyflavylium(1+); 5-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022852 4',5,7-Trihydroxy-3-methylflavone C16H12O5 284.068473 NA MeJP NA NA +MJ022853 4',5,7-Trihydroxyflavone; 5-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022854 4',5-Dihydroxy-7-methoxyflavone C16H12O5 284.068473 NA MeJP NA NA +MJ022855 4',5-Dihydroxy-7-methoxyisoflavone C16H12O5 284.068473 NA MeJP NA NA +MJ022856 4',6,7-Trihydroxyflavone; 4'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022857 4',6,7-Trihydroxyflavone; 7-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022858 4',6,7-Trihydroxyisoflavone; 4'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022859 4',6,7-Trihydroxyisoflavone; 6-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022860 4',6,7-Trihydroxyisoflavone; 7-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022861 4',7,8-Trihydroxyisoflavone; 4'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022862 4',7-Dihydroxy-5-methoxyisoflavone C16H12O5 284.068473 NA MeJP NA NA +MJ022863 4-(3,4-Dihydroxyphenyl)-7-hydroxy-2H-1-benzopyran-2-one; 4'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022864 5,6,7-Trihydroxyflavone; 7-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022865 5,7,10-Trihydroxy-2-methyl-1,4-anthraquinone; 5-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022866 5,7,10-Trihydroxy-2-methyl-1,4-anthraquinone; 7-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022867 5,7,8-Trihydroxyflavone; 7-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022868 5,7-Dihydroxy-3-(4-hydroxybenzyl)chromone C16H12O5 284.068473 NA MeJP NA NA +MJ022869 5,7-Dihydroxy-4'-methoxyflavone C16H12O5 284.068473 NA MeJP NA NA +MJ022870 5,7-Dihydroxy-4'-methoxyisoflavone C16H12O5 284.068473 NA MeJP NA NA +MJ022871 5,7-Dihydroxy-6-methoxyflavone C16H12O5 284.068473 NA MeJP NA NA +MJ022872 5,7-Dihydroxy-8-methoxyflavone C16H12O5 284.068473 NA MeJP NA NA +MJ022873 5-Hydroxy-3,7-dimethoxy-1,4-phenanthraquinone C16H12O5 284.068473 NA MeJP NA NA +MJ022874 6,7-Dihydroxy-4-(3-hydroxyphenyl)-2H-1-benzopyran-2-one; 7-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022875 6,7-Dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one; 7-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022876 6-Hydroxy-2-(2,4,5-trihydroxyphenyl)benzofuran; 2'-Me, 4',5'-methylene ether C16H12O5 284.068473 NA MeJP NA NA +MJ022877 6-Hydroxyxanthone-2-carboxylic acid; Me ether, Me ester C16H12O5 284.068473 NA MeJP NA NA +MJ022878 7-Hydroxy-2,8-dimethoxy-1,4-phenanthraquinone C16H12O5 284.068473 NA MeJP NA NA +MJ022879 Brazilein C16H12O5 284.068473 NA MeJP NA NA +MJ022880 Dehydromutactin C16H12O5 284.068473 NA MeJP NA NA +MJ022881 Eucomin, 4'-O-De-Me C16H12O5 284.068473 NA MeJP NA NA +MJ022882 Gancaonin K C16H12O5 284.068473 NA MeJP NA NA +MJ022883 Maackiain C16H12O5 284.068473 NA MeJP NA NA +MJ022884 Nivegin; 4'-Me ether C16H12O5 284.068473 NA MeJP NA NA +MJ022885 Acacetin C16H12O5 284.068473 NA MeJP NA NA +MetaCyc02517 questin [] C16H12O5 284.068473 3774-64-9 metacyc NA NA +MetaCyc02518 glycitein [4-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-7-one;] C16H12O5 284.068473 NA metacyc NA NA +MetaCyc02519 (+)-maackiain [] C16H12O5 284.068473 NA metacyc NA NA +MetaCyc02520 (-)-maackiain [] C16H12O5 284.068473 NA metacyc NA NA +MetaCyc02521 prunetin [] C16H12O5 284.068473 NA metacyc NA NA +MetaCyc02522 acacetin [5,7-Dihydroxy-4'-methoxyflavone;4'-Methoxy-5,7-dihydroxyflavone;linarigenin;linarisenin;] C16H12O5 284.068473 480-44-4 metacyc NA NA +MetaCyc02523 calycosin [3'-hydroxyformononetin;] C16H12O5 284.068473 NA metacyc NA NA +MetaCyc02524 2-hydroxyformononetin [] C16H12O5 284.068473 1890-99-9 metacyc NA NA +MetaCyc02525 biochanin-A [biochanin A;] C16H12O5 284.068473 491-80-5 metacyc NA NA +HMDB05781 Glycitein C16H12O5 284.06848 http://www.hmdb.ca/metabolites/HMDB05781 PFEM_hmdb_metabocards_urine NA urine +HMDB05781 Glycitein C16H12O5 284.06848 http://www.hmdb.ca/metabolites/HMDB05781 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05781 Glycitein C16H12O5 284.06848 http://www.hmdb.ca/metabolites/HMDB05781 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB05781 Glycitein C16H12O5 284.06848 http://www.hmdb.ca/metabolites/HMDB05781 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02338 Biochanin A C16H12O5 284.06848 http://www.hmdb.ca/metabolites/HMDB02338 HMDB NA NA +HMDB05781 Glycitein C16H12O5 284.06848 http://www.hmdb.ca/metabolites/HMDB05781 HMDB NA NA +HMDB05781 Glycitein C16H12O5 284.06848 http://www.hmdb.ca/metabolites/HMDB05781 PFEM_hmdb_metabocards_blood NA blood +HMDB02338 Biochanin A C16H12O5 284.06848 HMDB02338 PFEM_hmdb_metabocards_official NA NA +HMDB05781 Glycitein C16H12O5 284.06848 HMDB05781 PFEM_hmdb_metabocards_official NA NA +HMDB02338 Biochanin A C16H12O5 284.068481 NA HMDB2010 NA NA +HMDB05781 Glycitein C16H12O5 284.068481 NA HMDB2010 NA NA +C00814 Biochanin A C16H12O5 284.0685 NA KEGG NA NA +C01448 Questin C16H12O5 284.0685 NA KEGG NA NA +C01470 Acacetin C16H12O5 284.0685 NA KEGG NA NA +C01562 Calycosin C16H12O5 284.0685 NA KEGG NA NA +C02920 2'-Hydroxyformononetin C16H12O5 284.0685 NA KEGG NA NA +C10046 Genkwanin C16H12O5 284.0685 NA KEGG NA NA +C10047 Geraldone C16H12O5 284.0685 NA KEGG NA NA +C10197 Wogonin C16H12O5 284.0685 NA KEGG NA NA +C10323 Cypripedin C16H12O5 284.0685 NA KEGG NA NA +C10370 Lucidin omega-methyl ether C16H12O5 284.0685 NA KEGG NA NA +C10502 (-)-Maackiain C16H12O5 284.0685 NA KEGG NA NA +C10504 Melannin C16H12O5 284.0685 NA KEGG NA NA +C10521 Prunetin C16H12O5 284.0685 NA KEGG NA NA +C10536 Texasin C16H12O5 284.0685 NA KEGG NA NA +C11577 3-Methylgalangin C16H12O5 284.0685 NA KEGG NA NA +C14536 Glycitein C16H12O5 284.0685 NA KEGG NA NA +C16229 (+)-Maackiain C16H12O5 284.0685 NA KEGG NA NA +C17039 Obtusifolin C16H12O5 284.0685 NA KEGG NA NA +C17045 Physcion C16H12O5 284.0685 NA KEGG NA NA +C06948 Diazepam C16H13ClN2O 284.0716 NA KEGG NA NA +MJ022886 Diazepam C16H13ClN2O 284.07164 NA MeJP NA NA +MJ022887 Mazindol C16H13ClN2O 284.07164 NA MeJP NA NA +MJ022888 3,6-Dihydro-5-[4-(4-pyridinylamino)phenyl]-2H-1,3,4-thiadiazin-2-one C14H12N4OS 284.073181 NA MeJP NA NA +MJ022889 Nolatrexed C14H12N4OS 284.073181 NA MeJP NA NA +CJpos0681 Xanthosine [(M+H)]+ C10H13N4O6 284.075175 C18rt(min)=4.27 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0681 Xanthosine [(M+H)]+ C10H13N4O6 284.075175 C18rt(min)=4.27 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +HMDB00299 Xanthosine C10H12N4O6 284.07568 http://www.hmdb.ca/metabolites/HMDB00299 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00481 Allopurinol riboside C10H12N4O6 284.07568 http://www.hmdb.ca/metabolites/HMDB00481 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00299 Xanthosine C10H12N4O6 284.07568 http://www.hmdb.ca/metabolites/HMDB00299 HMDB NA NA +HMDB00481 Allopurinol riboside C10H12N4O6 284.07568 http://www.hmdb.ca/metabolites/HMDB00481 HMDB NA NA +HMDB00299 Xanthosine C10H12N4O6 284.07568 http://www.hmdb.ca/metabolites/HMDB00299 PFEM_hmdb_metabocards_blood NA blood +HMDB00481 Allopurinol riboside C10H12N4O6 284.07568 http://www.hmdb.ca/metabolites/HMDB00481 PFEM_hmdb_metabocards_blood NA blood +HMDB00299 Xanthosine C10H12N4O6 284.07568 HMDB00299 PFEM_hmdb_metabocards_official NA NA +HMDB00481 Allopurinol riboside C10H12N4O6 284.07568 HMDB00481 PFEM_hmdb_metabocards_official NA NA +HMDB00299 Xanthosine C10H12N4O6 284.075684 NA HMDB2010 NA NA +MJ022890 Xanthosine C10H12N4O6 284.075684 NA MeJP NA NA +MJ022891 Oxanosine C10H12N4O6 284.075684 NA MeJP NA NA +MJ022892 Xanthosine C10H12N4O6 284.075684 NA MeJP NA NA +MetaCyc02526 xanthosine [9 β-D-ribofuranosylxanthine;] C10H12N4O6 284.075684 146-80-5 metacyc NA NA +C01762 Xanthosine C10H12N4O6 284.0757 NA KEGG NA NA +C01764 tRNA containing uridine at position 54 C9H13N2O9P 284.0757 NA KEGG NA NA +CJneg0496 Xanthosine [(M-H)]- C10H11N4O6 284.076225 C18rt(min)=4.27 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0496 Xanthosine [(M-H)]- C10H11N4O6 284.076225 C18rt(min)=4.27 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ022893 2-Amino-8-(hydroxymethyl)-3H-phenoxazin-3-one; N-Ac C15H12N2O4 284.079706 NA MeJP NA NA +MJ022894 9-Hydroxy-6-hydroxymethyl-1-phenazinecarboxylic acid; 9-Me ether C15H12N2O4 284.079706 NA MeJP NA NA +MJ022895 Bufotenine; O-Sulfate C12H16N2O4S 284.083077 NA MeJP NA NA +MJ022896 Tiapirinol C12H16N2O4S 284.083077 NA MeJP NA NA +PJ000168 CY C12H16N2O4S 284.0831 NA PeJP NA NA +C14854 9-Hydroxybenzo[a]pyrene-4,5-oxide C20H12O2 284.0837 NA KEGG NA NA +MJ022897 Clenpirin C14H18Cl2N2 284.084704 NA MeJP NA NA +MJ022898 8-Azaguanosine C9H12N6O5 284.086917 NA MeJP NA NA +HMDB11686 p-Cresol glucuronide C13H16O7 284.0896 NA HMDB2010 NA NA +MJ022899 1-O-Benzoylglucose; ?-D-Pyranose-form C13H16O7 284.089602 NA MeJP NA NA +MJ022900 2,3-Dihydroxy-2-methylbutanoic acid, 3-O-(2,4-Dihydroxy-6-methylbenzoyl) C13H16O7 284.089602 NA MeJP NA NA +MJ022901 2-O-Benzoylglucose C13H16O7 284.089602 NA MeJP NA NA +MJ022902 3-O-Benzoylglucose; ?-D-Pyranose-form C13H16O7 284.089602 NA MeJP NA NA +MJ022903 4-Hydroxybenzaldehyde; O-?-D-Glucopyranoside C13H16O7 284.089602 NA MeJP NA NA +MJ022904 6-O-Benzoylglucose C13H16O7 284.089602 NA MeJP NA NA +MJ022905 Helicide C13H16O7 284.089602 NA MeJP NA NA +MJ022906 Iforrestine C14H12N4O3 284.09094 NA MeJP NA NA +MJ022907 3-(2-Dimethylaminoethyl)-4-hydroxyindole; O-Phosphate C12H17N2O4P 284.092593 NA MeJP NA NA +C07576 Psilocybin C12H17N2O4P 284.0926 NA KEGG NA NA +FL1C1ANS0005 Isoliquiritigenin 4,4'-dimethyl ether C17H16O4 284.10485 - knapsack NA NA +FL1CA9NM0001 Aurentiacin A C17H16O4 284.10485 60433-78-5 knapsack NA NA +FL1CA9NM0002 Triangularin C17H16O4 284.10485 67777-33-7 knapsack NA NA +FL1CA9NM0003 Stercurensin C17H16O4 284.10485 94388-75-7 knapsack NA NA +FL1CA9NS0004 Flavokawin B C17H16O4 284.10485 1775-97-9 knapsack NA NA +FL1CRTNS0002 4-Hydroxy-2,4'-dimethoxychalcone;Glypallichalcone C17H16O4 284.10485 146763-58-8 knapsack NA NA +FL2F39NS0002 7,8-Dimethoxyflavanone C17H16O4 284.10485 73413-67-9 knapsack NA NA +FL2FA9NM0002 Comptonin C17H16O4 284.10485 60478-73-1 knapsack NA NA +FL2FA9NM0003 7-O-Methylstrobopinin C17H16O4 284.10485 55743-20-9 knapsack NA NA +FL2FA9NM0005 5-Hydroxy-7-methoxy-8-C-methylflavanone C17H16O4 284.10485 55869-77-7 knapsack NA NA +FL2FA9NM0006 Desmethoxymatteucinol C17H16O4 284.10485 56297-79-1 knapsack NA NA +FL2FA9NS0004 Pinocembrin 5,7-dimethyl ether C17H16O4 284.10485 36052-66-1 knapsack NA NA +FLID1ANS0004 (-)-Homopterocarpin;Baphinitone;3,9-Dimethoxypterocarpan C17H16O4 284.10485 606-91-7 knapsack NA NA +FLND2ANS0002 (S)-4,4'-Dimethoxydalbergione C17H16O4 284.10485 464-87-1 knapsack NA NA +FLND49NS0001 (R)-3,4-Dimethoxydalbergione C17H16O4 284.10485 3755-64-4 knapsack NA NA +FLNE49NS0001 Kuhlmannene;6-Hydroxy-7,8-dimethoxyneoflavene C17H16O4 284.10485 20972-80-9 knapsack NA NA +MJ022908 1,6,10-Trihydroxy-2,8,10-trimethyl-9(10H)-anthracenone C17H16O4 284.104859 NA MeJP NA NA +MJ022909 1,7-Bis(hydroxymethyl)-3,6,9-phenanthrenetriol; 1'-Deoxy, 9-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022910 1,7-Bis(hydroxymethyl)-3,6,9-phenanthrenetriol; 2'-Deoxy, 9-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022911 2',4',6'-Trihydroxy-3'-methylchalcone; 2'-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022912 2',4',6'-Trihydroxy-3'-methylchalcone; 4'-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022913 2',4',6'-Trihydroxy-3'-methylchalcone; 6'-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022914 2',4',6'-Trihydroxychalcone; 2',4'-Di-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022915 2',4,4'-Trihydroxychalcone; 4,4'-Di-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022916 2,3,5,7-Phenanthrenetetrol; 3,5,7-Tri-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022917 2,3,6,7-Phenanthrenetetrol; 2,3,6-Tri-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022918 2,3-Dihydro-2-(4-hydroxyphenyl)-3-methyl-5-benzofurancarboxylic acid, Me ester C17H16O4 284.104859 NA MeJP NA NA +MJ022919 2,4,4'-Trihydroxychalcone, 2,4'-Di-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022920 2,4,6-Trihydroxychalcone; 2,''4''-Di-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022921 2,6,7-Trihydroxy-4-phenyl-2H-1-benzopyran; 2,7-Di-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022922 2-(1,1-Dimethyl-2-propenyl)-3-hydroxy-1,4-naphthoquinone; Ac C17H16O4 284.104859 NA MeJP NA NA +MJ022923 2-(2,4-Dihydroxyphenyl)-5-benzofuranpropanol C17H16O4 284.104859 NA MeJP NA NA +MJ022924 2-(2-Hydroxy-4-methoxyphenyl)-6-methoxy-3-methylbenzofuran C17H16O4 284.104859 NA MeJP NA NA +MJ022925 2-Phenylethanol; 3,4-Dihydroxycinnamoyl(E-) C17H16O4 284.104859 NA MeJP NA NA +MJ022926 2-Phenylethanol; 3,4-Dihydroxycinnamoyl(Z-) C17H16O4 284.104859 NA MeJP NA NA +MJ022927 3,11-Tridecadiene-5,7,9-triyne-1,2-diol, Di-Ac C17H16O4 284.104859 NA MeJP NA NA +MJ022928 3,4-Dimethoxydalbergione C17H16O4 284.104859 NA MeJP NA NA +MJ022929 3,5-Tridecadiene-7,9,11-triyne-1,2-diol, Di-Ac C17H16O4 284.104859 NA MeJP NA NA +MJ022930 3,9-Dimethoxypterocarpan C17H16O4 284.104859 NA MeJP NA NA +MJ022931 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1-O-benzoyl C17H16O4 284.104859 NA MeJP NA NA +MJ022932 3-(3-Methyl-2-butenyl)naphthoquinone-2-carboxylic acid methyl ester C17H16O4 284.104859 NA MeJP NA NA +MJ022933 4',7,8-Trihydroxyhomoisoflavan; 7,8-Methylene ether C17H16O4 284.104859 NA MeJP NA NA +MJ022934 4',7-Dihydroxyflavanone, Di-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022935 4-Hydroxy-5-methyl-2H-1-benzopyran-2-one; O-(6-Oxo-3-methyl-2,4-hexadienyl)(E,E-) C17H16O4 284.104859 NA MeJP NA NA +MJ022936 4-Methoxy-6-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one C17H16O4 284.104859 NA MeJP NA NA +MJ022937 4-Methoxydalbergione, 4'-Methoxy C17H16O4 284.104859 NA MeJP NA NA +MJ022938 5,7-Dihydroxy-6,8-dimethylflavanone C17H16O4 284.104859 NA MeJP NA NA +MJ022939 5,7-Dihydroxy-6-methylflavanone, 5-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022940 5,7-Dihydroxy-6-methylflavanone, 7-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022941 5,7-Dihydroxy-8-methylflavanone, 5-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022942 5,7-Dihydroxy-8-methylflavanone, 7-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022943 5,7-Dihydroxyflavanone, Di-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022944 6-Methoxy-5-(3-methyl-2-butenyl)-2H-furo[2,3-h][1]benzopyran-2-one C17H16O4 284.104859 NA MeJP NA NA +MJ022945 7,8-Dihydroxyflavanone, Di-Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022946 Agrostophyllin; 9,10-Dihydro C17H16O4 284.104859 NA MeJP NA NA +MJ022947 Alloimperatorin; Me ether C17H16O4 284.104859 NA MeJP NA NA +MJ022948 Benahorin C17H16O4 284.104859 NA MeJP NA NA +MJ022949 Cryptoresinol C17H16O4 284.104859 NA MeJP NA NA +MJ022950 Furopinnarin C17H16O4 284.104859 NA MeJP NA NA +MJ022951 Kuhlmannene C17H16O4 284.104859 NA MeJP NA NA +MJ022952 Mollugin C17H16O4 284.104859 NA MeJP NA NA +C10246 Batatasin I C17H16O4 284.1049 NA KEGG NA NA +C10265 Isobatatasin I C17H16O4 284.1049 NA KEGG NA NA +C10484 Phenethyl caffeate C17H16O4 284.1049 NA KEGG NA NA +MJ022953 Resorthiomycin C14H20O4S 284.108229 NA MeJP NA NA +MJ022954 Dichlorohomolaurane C16H22Cl2 284.109856 NA MeJP NA NA +MJ022955 1-O-?-D-Mannopyranosyl-L-erythritol C10H20O9 284.110732 NA MeJP NA NA +MJ022956 Coformycin C11H16N4O5 284.112069 NA MeJP NA NA +MetaCyc02527 coformycin [] C11H16N4O5 284.11207 11033-22-0 metacyc NA NA +C01677 Coformycin C11H16N4O5 284.1121 NA KEGG NA NA +PJ000169 EH C11H16N4O5 284.1121 NA PeJP NA NA +MJ022957 3-Bromocedrane C15H25Br 284.113963 NA MeJP NA NA +MJ022958 Longibornyl bromide C15H25Br 284.113963 NA MeJP NA NA +MJ022959 10-Hydroxy-1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,8(1H,9H)-dione C16H16N2O3 284.116092 NA MeJP NA NA +MJ022960 4-Methyl-5-(1-methylethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid C16H16N2O3 284.116092 NA MeJP NA NA +MJ022961 ?-Carboline-1-propanoic acid; Et ester, 2N-oxide C16H16N2O3 284.116092 NA MeJP NA NA +MJ022962 N-[2-(2,4-Dimethoxyphenyl)ethenyl]-3-pyridinecarboxamide C16H16N2O3 284.116092 NA MeJP NA NA +MJ022963 1,10-Dihydroxy-11(13)-eremophilen-12,8-olide, 10-Deoxy, 10?-chloro C15H21ClO3 284.117922 NA MeJP NA NA +MJ022964 6-Chloro-3,11-lauthisadien-1-yne-9,10-diol C15H21ClO3 284.117922 NA MeJP NA NA +MJ022965 7-Chloro-2-ethyloctahydro-6-(2-penten-4-ynyl)pyrano[3,2-b]pyran-3-ol C15H21ClO3 284.117922 NA MeJP NA NA +MJ022966 7-Chloro-6-hydroxy-8-drimen-12,11-olide C15H21ClO3 284.117922 NA MeJP NA NA +MJ022967 Articaine C13H20N2O3S 284.119463 NA MeJP NA NA +MJ022968 Ozolinone, Et ester C13H20N2O3S 284.119463 NA MeJP NA NA +MJ022969 1-(2,4,5-Trihydroxyphenyl)-1,2-propanediol; 2',4',5'-Tri-Me ether, 2-Ac C14H20O6 284.125988 NA MeJP NA NA +MJ022970 2-Phenylethanol; O-?-D-Galactopyranoside C14H20O6 284.125988 NA MeJP NA NA +MJ022971 2-Phenylethanol; O-?-D-Glucopyranoside C14H20O6 284.125988 NA MeJP NA NA +MJ022972 2-Phenylethanol; O-?-D-Glucopyranoside C14H20O6 284.125988 NA MeJP NA NA +MJ022973 4-Hydroxybenzyl alcohol; 4-Me ether, ?-O-(6-deoxy-?-D-glucopyranoside) C14H20O6 284.125988 NA MeJP NA NA +MJ022974 5-Methyl-1,3-benzenediol; Mono Me ether, O-?-L-rhamnopyranoside C14H20O6 284.125988 NA MeJP NA NA +MJ022975 6-(2,4-Dihydroxypentyl)-5,6-dihydro-2H-pyran-2-one, Di-Ac C14H20O6 284.125988 NA MeJP NA NA +MJ022976 Aspinolide B C14H20O6 284.125988 NA MeJP NA NA +MJ022977 Colletodiol C14H20O6 284.125988 NA MeJP NA NA +MJ022978 Karalicin C14H20O6 284.125988 NA MeJP NA NA +MJ022979 Meliracemoic acid C14H20O6 284.125988 NA MeJP NA NA +MJ022980 Nicaraven C15H16N4O2 284.127325 NA MeJP NA NA +MJ022981 Zomebazam C15H16N4O2 284.127325 NA MeJP NA NA +MJ022982 Clofexamide C14H21ClN2O2 284.129155 NA MeJP NA NA +MJ022983 Clovoxamine C14H21ClN2O2 284.129155 NA MeJP NA NA +C07379 Promazine C17H20N2S 284.1347 NA KEGG NA NA +C07380 Transferred to D00480 C17H20N2S 284.1347 NA KEGG NA NA +C07404 Promethazine C17H20N2S 284.1347 NA KEGG NA NA +MJ022984 Isopromethazine C17H20N2S 284.134719 NA MeJP NA NA +MJ022985 Promazine C17H20N2S 284.134719 NA MeJP NA NA +MJ022986 Promethazine C17H20N2S 284.134719 NA MeJP NA NA +MJ022987 Tienopramine C17H20N2S 284.134719 NA MeJP NA NA +MJ022988 Antibiotic DC 8118A C13H20N2O5 284.137221 NA MeJP NA NA +MJ022989 Palythine; 3-N-(1E-Propenyl) C13H20N2O5 284.137221 NA MeJP NA NA +MJ022990 Palythine; 3-N-(1Z-Propenyl) C13H20N2O5 284.137221 NA MeJP NA NA +MJ022991 Siguazodan C14H16N6O 284.138559 NA MeJP NA NA +C09061 Allogibberic acid C18H20O3 284.1412 NA KEGG NA NA +C14441 16-Ketoestrone C18H20O3 284.1412 NA KEGG NA NA +C14740 alpha,alpha'-Diethyl-3,4,4'-stilbenetriol C18H20O3 284.1412 NA KEGG NA NA +HMDB00372 16-Oxoestrone C18H20O3 284.141235 NA HMDB2010 NA NA +HMDB00372 16-Oxoestrone C18H20O3 284.14124 http://www.hmdb.ca/metabolites/HMDB00372 HMDB NA NA +FLNC29NS0004 (R)-2,4,5-Trimethoxydalbergiquinol C18H20O3 284.14124 14753-80-1 knapsack NA NA +HMDB00372 16-Oxoestrone C18H20O3 284.14124 HMDB00372 PFEM_hmdb_metabocards_official NA NA +MJ022992 1-(4-Hydroxyphenyl)-2-[4-(1-propenyl)phenoxy]-1-propanol C18H20O3 284.141244 NA MeJP NA NA +MJ022993 17-Hydroxy-9,11,13,15-octadecatetraynoic acid C18H20O3 284.141244 NA MeJP NA NA +MJ022994 2,3-Dihydro-2-(4-hydroxyphenyl)-5-(2-hydroxypropyl)-3-methylbenzofuran C18H20O3 284.141244 NA MeJP NA NA +MJ022995 2,3-Dihydro-2-(4-hydroxyphenyl)-5-(3-hydroxypropyl)-3-methylbenzofuran C18H20O3 284.141244 NA MeJP NA NA +MJ022996 2,3-Dihydro-6-hydroxy-2-hydroxymethyl-3,3-dimethyl-4-phenylbenzofuran; 6-Me ether C18H20O3 284.141244 NA MeJP NA NA +MJ022997 3,4,4'-Trihydroxy-2,7'-cyclolignan C18H20O3 284.141244 NA MeJP NA NA +MJ022998 4,4',5-Trihydroxy-2,7'-cyclolignan C18H20O3 284.141244 NA MeJP NA NA +MJ022999 4,4'-Dihydroxy-7,7'-epoxylignan C18H20O3 284.141244 NA MeJP NA NA +MJ023000 9,10-Dihydro-1,7-dihydroxy-4-(1-hydroxyethyl)-2,8-dimethylphenanthrene C18H20O3 284.141244 NA MeJP NA NA +MJ023001 9,10-Dihydro-2,6-dihydroxy-5-(1-hydroxyethyl)-1,7-dimethylphenanthrene C18H20O3 284.141244 NA MeJP NA NA +MJ023002 9,10-Dihydro-2,7-dihydroxy-4-(1-hydroxyethyl)-1,8-dimethylphenanthrene C18H20O3 284.141244 NA MeJP NA NA +MJ023003 9,10-Dihydro-4-(hydroxymethyl)-1,8-dimethyl-2,7-phenanthrenediol; 2-Me ether C18H20O3 284.141244 NA MeJP NA NA +MJ023004 Dalbergiphenol, Me ether C18H20O3 284.141244 NA MeJP NA NA +MJ023005 Gibberellin B C18H20O3 284.141244 NA MeJP NA NA +MJ023006 Gibberic acid C18H20O3 284.141244 NA MeJP NA NA +MJ023007 Pygmacone C18H20O3 284.141244 NA MeJP NA NA +MJ023008 Solistatin C18H20O3 284.141244 NA MeJP NA NA +MJ023009 Tetrahydro-6-(1,3,9-undecatriene-5,7-diynyl)-2H-pyran-2-ol, Ac C18H20O3 284.141244 NA MeJP NA NA +MJ023010 Yantianmasu C18H20O3 284.141244 NA MeJP NA NA +MJ023011 Doisuthine; 4'-Methoxy, Namide-de-Me C17H20N2O2 284.152477 NA MeJP NA NA +MJ023012 Tropicamide C17H20N2O2 284.152477 NA MeJP NA NA +MJ023013 Tropisetron C17H20N2O2 284.152477 NA MeJP NA NA +C13666 Tropisetron C17H20N2O2 284.1525 NA KEGG NA NA +MJ023014 1,3,10-Trihydroxy-4-germacren-12,6-olide C15H24O5 284.162373 NA MeJP NA NA +MJ023015 1,3,4-Trihydroxy-12,6-eudesmanolide C15H24O5 284.162373 NA MeJP NA NA +MJ023016 1,4,5-Trihydroxy-12,6-eudesmanolide C15H24O5 284.162373 NA MeJP NA NA +MJ023017 3,4,11-Trihydroxy-6-eudesmen-8-one, 11-Hydroperoxide C15H24O5 284.162373 NA MeJP NA NA +MJ023018 3,4,5,11-Tetrahydroxy-6-eudesmen-8-one C15H24O5 284.162373 NA MeJP NA NA +MJ023019 3,4,7-Trihydroxy-11-eudesmen-8-one, 7-Hydroperoxide C15H24O5 284.162373 NA MeJP NA NA +MJ023020 4,10,15-Trihydroxypseudoguaian-12,6-olide C15H24O5 284.162373 NA MeJP NA NA +MJ023021 5,14-Epoxy-4,5,7,8-protoilludanetetrol C15H24O5 284.162373 NA MeJP NA NA +MJ023022 5,6,9-Trihydroxy-7-daucen-14-oic acid C15H24O5 284.162373 NA MeJP NA NA +MJ023023 9,10-Dihydroxy-5-oxo-11(13)-germacren-12,8-olide, 11?,13-Dihydro C15H24O5 284.162373 NA MeJP NA NA +MJ023024 Aeginetic acid; 2?-Hydroxy C15H24O5 284.162373 NA MeJP NA NA +MJ023025 Artemisinin; 12?-Alcohol C15H24O5 284.162373 NA MeJP NA NA +MJ023026 Botryaloic acid C15H24O5 284.162373 NA MeJP NA NA +MJ023027 Debenzoyltashironin; 8-Alcohol C15H24O5 284.162373 NA MeJP NA NA +MJ023028 Illicinone E; 1?-Alcohol, 2?,3-dihydro C15H24O5 284.162373 NA MeJP NA NA +MJ023029 4-(Acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid C14H24N2O4 284.173607 NA MeJP NA NA +MJ023030 2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; 1,N2,N2,N8,N8-Penta-Me C15H20N6 284.174944 NA MeJP NA NA +MJ023031 Pseudozoanthoxin A; 3,N2,N2,N6,N6-Penta-Me C15H20N6 284.174944 NA MeJP NA NA +C14257 Methyltrienolone C19H24O2 284.1776 NA KEGG NA NA +C15194 Androsta-4,9(11)-diene-3,17-dione C19H24O2 284.1776 NA KEGG NA NA +C15211 4,4-Bis(4-hydroxyphenyl)heptane C19H24O2 284.1776 NA KEGG NA NA +C15255 1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol C19H24O2 284.1776 NA KEGG NA NA +C15323 3-Hydroxy-1-methylestra-1,3,5(10)-trien-17-one C19H24O2 284.1776 NA KEGG NA NA +C15454 Hexestrol monomethyl ether C19H24O2 284.1776 NA KEGG NA NA +MJ023032 1,7-Diphenyl-3,5-heptanediol C19H24O2 284.17763 NA MeJP NA NA +MJ023033 1,9,15-Heptadecatriene-11,13-diyn-8-ol, Ac C19H24O2 284.17763 NA MeJP NA NA +MJ023034 1,9,16-Heptadecatriene-4,6-diyn-3-ol, Ac C19H24O2 284.17763 NA MeJP NA NA +MJ023035 12-Hydroxy-20-nor-1(10),8,11,13-abietatetraen-7-one C19H24O2 284.17763 NA MeJP NA NA +MJ023036 2,8,10-Heptadecatriene-4,6-diyn-1-ol, Ac C19H24O2 284.17763 NA MeJP NA NA +MJ023037 2-Hydroxy-19-nor-1,4,15-beyeratrien-3-one; ent-form C19H24O2 284.17763 NA MeJP NA NA +MJ023038 2-Methyl-6-methylene-2,7-octadien-1-ol, 1-(3-Phenylpropanoyl) C19H24O2 284.17763 NA MeJP NA NA +MJ023039 3-(4-Hydroxyphenyl)-2-propenal, 4'-O-(3,7-Dimethyl-2,6-octadienyl)(E-) C19H24O2 284.17763 NA MeJP NA NA +MJ023040 3-Hydroxy-7-methylestra-1,3,5(10)-trien-17-one C19H24O2 284.17763 NA MeJP NA NA +MJ023041 4-Hydroxymethylathrixianone C19H24O2 284.17763 NA MeJP NA NA +MJ023042 Acalycixeniolide B; 10,11E-Didehydro C19H24O2 284.17763 NA MeJP NA NA +MJ023043 Androsta-1,4-diene-3,17-dione C19H24O2 284.17763 NA MeJP NA NA +MJ023044 Androsta-4,6-diene-3,17-dione C19H24O2 284.17763 NA MeJP NA NA +MJ023045 Faveline; Me ether C19H24O2 284.17763 NA MeJP NA NA +MJ023046 Metribolone C19H24O2 284.17763 NA MeJP NA NA +MJ023047 Salvimultine C19H24O2 284.17763 NA MeJP NA NA +HMDB03422 Boldione C19H24O2 284.17764 http://www.hmdb.ca/metabolites/HMDB03422 HMDB NA NA +HMDB03422 Boldione C19H24O2 284.17764 HMDB03422 PFEM_hmdb_metabocards_official NA NA +HMDB03422 Boldione C19H24O2 284.177643 NA HMDB2010 NA NA +HMDB05764 Melanostatin C13H24N4O3 284.18484 http://www.hmdb.ca/metabolites/HMDB05764 HMDB NA NA +MJ023048 Melanostatin C13H24N4O3 284.18484 NA MeJP NA NA +MJ023049 Spherophysine; N4'-Carboxyacetyl C13H24N4O3 284.18484 NA MeJP NA NA +HMDB05764 Melanostatin C13H24N4O3 284.18484 HMDB05764 PFEM_hmdb_metabocards_official NA NA +HMDB05764 Melanostatin C13H24N4O3 284.184845 NA HMDB2010 NA NA +MJ023050 Azaprocin C18H24N2O 284.188863 NA MeJP NA NA +MJ023051 Dasycarpidan-1-methanol C18H24N2O 284.188863 NA MeJP NA NA +MJ023052 Midazogrel C18H24N2O 284.188863 NA MeJP NA NA +MJ023053 Uleine, 1,13-Dihydro, 13-hydroxy C18H24N2O 284.188863 NA MeJP NA NA +MJ023054 Vintoperol C18H24N2O 284.188863 NA MeJP NA NA +MJ023055 10,11-Dihydroxy-2,6-farnesadien-1-oic acid, Me ester C16H28O4 284.198759 NA MeJP NA NA +MJ023056 11,12-Epoxy-8,11,12-drimanetriol, 11-Me ether C16H28O4 284.198759 NA MeJP NA NA +MJ023057 13,14-Epoxy-15-oxohexadecanoic acid C16H28O4 284.198759 NA MeJP NA NA +MJ023058 4,6-Diethyl-6-(1-pentenyl)-1,2-dioxane-3-acetic acid; Me ester C16H28O4 284.198759 NA MeJP NA NA +MJ023059 Asperic acid C16H28O4 284.198759 NA MeJP NA NA +MJ023060 Koninginin A C16H28O4 284.198759 NA MeJP NA NA +MJ023061 Secoisolancifolide C16H28O4 284.198759 NA MeJP NA NA +C16505 (10S)-Juvenile hormone III diol C16H28O4 284.1988 NA KEGG NA NA +MJ023062 Tolpiprazole C17H24N4 284.200096 NA MeJP NA NA +EUR083 Retinal C20H28O 284.214 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR083 Retinal C20H28O 284.214 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR083 Retinal C20H28O 284.214 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR083 Retinal C20H28O 284.214 Wishlist Inhousejuil11 NA NA +C00376 Retinal C20H28O 284.214 NA KEGG NA NA +C00377 Steroid C20H28O 284.214 NA KEGG NA NA +C02110 11-cis-Retinal C20H28O 284.214 NA KEGG NA NA +C02111 2,4-Dioxo acid C4H2O4 284.214 NA KEGG NA NA +C02112 2-Acylglycerol C4H7O4R 284.214 NA KEGG NA NA +C13037 Lynestrenol C20H28O 284.214 NA KEGG NA NA +C14655 17,17-Dimethyl-18-norandrosta-4,13-dien-3-one C20H28O 284.214 NA KEGG NA NA +C15016 19-Norpregna-4,17(20)-dien-3-one C20H28O 284.214 NA KEGG NA NA +C15170 17-Methyl-18,19-dinor-17alpha-pregna-4,13-dien-3-one C20H28O 284.214 NA KEGG NA NA +C15262 3-Methoxyestra-1,3,5(10)-trien-16beta-ol C20H28O 284.214 NA KEGG NA NA +C16681 9-cis-Retinal C20H28O 284.214 NA KEGG NA NA +EUR083 Retinal C20H28O 284.214015 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR083 Retinal C20H28O 284.214015 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR083 Retinal C20H28O 284.214015 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR083 Retinal C20H28O 284.214015 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR083 Retinal C20H28O 284.214015 Wishlist HMDB NA NA +EUR083 Retinal C20H28O 284.214015 Wishlist Inhouse_PFEM NA NA +MJ023063 11-cis-Retinal C20H28O 284.214015 NA MeJP NA NA +MJ023064 Retinal C20H28O 284.214015 NA MeJP NA NA +MJ023065 1(10),8,11,13-Icetexatetraen-12-ol C20H28O 284.214015 NA MeJP NA NA +MJ023066 12,16-Epoxy-8,11,13-abietatriene C20H28O 284.214015 NA MeJP NA NA +MJ023067 15,16-Epoxy-8(17),11,13(16),14-labdatetraene C20H28O 284.214015 NA MeJP NA NA +MJ023068 4-Eicosene-1,14,19-triyn-3-ol C20H28O 284.214015 NA MeJP NA NA +MJ023069 5,8,11,13-Abietatetraen-11-ol C20H28O 284.214015 NA MeJP NA NA +MJ023070 7,18-Fascioladien-17-al C20H28O 284.214015 NA MeJP NA NA +MJ023071 7,9(11),12-Abietatrien-14-one C20H28O 284.214015 NA MeJP NA NA +MJ023072 8(13),11(20),14-Amphilectatrien-2-one C20H28O 284.214015 NA MeJP NA NA +MJ023073 8,11,13,15-Abietatetraen-11-ol C20H28O 284.214015 NA MeJP NA NA +MJ023074 8,11,13-Abietatrien-12-ol; 5?-form, 6,7-Didehydro C20H28O 284.214015 NA MeJP NA NA +MJ023075 8,11,13-Abietatrien-19-ol; 19-Aldehyde C20H28O 284.214015 NA MeJP NA NA +MJ023076 8,11,13-Abietatrien-3-ol, 3-Ketone C20H28O 284.214015 NA MeJP NA NA +MJ023077 8,11,13-Abietatrien-7-ol; 7?-form, 7-Ketone C20H28O 284.214015 NA MeJP NA NA +MJ023078 8,11,13-Cleistanthatrien-19-ol; 19-Aldehyde C20H28O 284.214015 NA MeJP NA NA +MJ023079 8,11,13-Cleistanthatrien-20-ol; 20-Aldehyde C20H28O 284.214015 NA MeJP NA NA +MJ023080 8,11,13-Totaratrien-13-ol; 1,2-Didehydro C20H28O 284.214015 NA MeJP NA NA +MJ023081 8,13-Abietadien-19-oic acid; 15,16-Didehydro, 19-aldehyde C20H28O 284.214015 NA MeJP NA NA +MJ023082 9(11),16-Kauradien-12-ol, 12-Ketone C20H28O 284.214015 NA MeJP NA NA +MJ023083 Cingestol C20H28O 284.214015 NA MeJP NA NA +MJ023084 Delanterone C20H28O 284.214015 NA MeJP NA NA +MJ023085 Lynestrenol C20H28O 284.214015 NA MeJP NA NA +MJ023086 Retinal C20H28O 284.214015 NA MeJP NA NA +MJ023087 Retinol; 3,4-Didehydro C20H28O 284.214015 NA MeJP NA NA +MJ023088 Sempervirol; 6,7-Didehydro C20H28O 284.214015 NA MeJP NA NA +MJ023089 Tigestol C20H28O 284.214015 NA MeJP NA NA +EUR083 Retinal C20H28O 284.214015 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR083 Retinal C20H28O 284.214015 Wishlist PFEM_hmdb_metabocards_official NA NA +MetaCyc02528 retinal [vitamin A aldehyde;retinene;axerophthal;retinaldehyde;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene;] C20H28O1 284.214016 116-31-4 metacyc NA NA +MetaCyc02529 11-cis-Retinal [cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene;] C20H28O1 284.214016 564-87-4 metacyc NA NA +HMDB01358 Retinal C20H28O 284.21402 http://www.hmdb.ca/metabolites/HMDB01358 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01358 Retinal C20H28O 284.21402 http://www.hmdb.ca/metabolites/HMDB01358 HMDB NA NA +HMDB02152 11-cis-Retinaldehyde C20H28O 284.21402 http://www.hmdb.ca/metabolites/HMDB02152 HMDB NA NA +HMDB06218 cis-9-retinal C20H28O 284.21402 http://www.hmdb.ca/metabolites/HMDB06218 HMDB NA NA +HMDB06220 cis-13-retinal C20H28O 284.21402 http://www.hmdb.ca/metabolites/HMDB06220 HMDB NA NA +HMDB01358 Retinal C20H28O 284.21402 http://www.hmdb.ca/metabolites/HMDB01358 PFEM_hmdb_metabocards_blood NA blood +HMDB01358 Retinal C20H28O 284.21402 HMDB01358 PFEM_hmdb_metabocards_official NA NA +HMDB02152 11-cis-Retinaldehyde C20H28O 284.21402 HMDB02152 PFEM_hmdb_metabocards_official NA NA +HMDB06218 cis-9-retinal C20H28O 284.21402 HMDB06218 PFEM_hmdb_metabocards_official NA NA +HMDB06220 cis-13-retinal C20H28O 284.21402 HMDB06220 PFEM_hmdb_metabocards_official NA NA +HMDB01358 Retinal C20H28O 284.21402 NA HMDB2010 NA NA +HMDB02152 11-cis-Retinaldehyde C20H28O 284.21402 NA HMDB2010 NA NA +HMDB06218 9-cis-Retinal C20H28O 284.21402 NA HMDB2010 NA NA +HMDB06220 13-cis-Retinal C20H28O 284.21402 NA HMDB2010 NA NA +MJ023090 3-Methyl-2-phenyl-2-[2-(1-piperidinylethyl)]pentanenitrile C19H28N2 284.225248 NA MeJP NA NA +MJ023091 Decarbomethoxytetrahydrosecodine C19H28N2 284.225248 NA MeJP NA NA +MJ023092 Iprindole C19H28N2 284.225248 NA MeJP NA NA +JH229 Curcumin N/A NA 284.2299 21.48 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH229 Curcumin N/A NA 284.2299 21.48 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH229 Curcumin N/A NA 284.2299 21.48 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH229 Curcumin N/A NA 284.2299 21.48 Inhousejuil11 NA NA +C13792 2-Methoxy-5Z-hexadecenoic acid C17H32O3 284.2351 NA KEGG NA NA +C13946 2-Methoxy-6Z-hexadecenoic acid C17H32O3 284.2351 NA KEGG NA NA +C14996 12-(2,3-Dihydroxycyclopentyl)-2-dodecanone C17H32O3 284.2351 NA KEGG NA NA +MJ023093 10-Hydroxy-4-heptadecenoic acid C17H32O3 284.235144 NA MeJP NA NA +MJ023094 16-Heptadecyne-1,2,4-triol C17H32O3 284.235144 NA MeJP NA NA +MJ023095 2-Hydroxy-5-hexadecenoic acid, Me ether C17H32O3 284.235144 NA MeJP NA NA +MJ023096 2-Hydroxy-6-hexadecenoic acid, Me ether C17H32O3 284.235144 NA MeJP NA NA +MJ023097 2-Tetradecyloxiranecarboxylic acid C17H32O3 284.235144 NA MeJP NA NA +MJ023098 Muricatacin C17H32O3 284.235144 NA MeJP NA NA +MJ023099 Tetrahydro-6-hydroxymethyl-6-undecyl-2H-pyran-2-one C17H32O3 284.235144 NA MeJP NA NA +MJ023100 1,6,9,12,15,18-Heneicosahexaene C21H32 284.250401 NA MeJP NA NA +MJ023101 14-Methylene-1,3,5,10-prenylbisabolatetraene C21H32 284.250401 NA MeJP NA NA +MJ023102 3,6,9,12,15,18-Heneicosahexaene C21H32 284.250401 NA MeJP NA NA +C01530 Octadecanoic acid C18H36O2 284.2715 NA KEGG NA NA +HMDB00827 Stearic acid C18H36O2 284.27151 http://www.hmdb.ca/metabolites/HMDB00827 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00827 Stearic acid C18H36O2 284.27151 http://www.hmdb.ca/metabolites/HMDB00827 HMDB NA NA +HMDB00827 Stearic acid C18H36O2 284.27151 http://www.hmdb.ca/metabolites/HMDB00827 PFEM_hmdb_metabocards_blood NA blood +HMDB00827 Stearic acid C18H36O2 284.27151 HMDB00827 PFEM_hmdb_metabocards_official NA NA +HMDB00827 Stearic acid C18H36O2 284.271515 NA HMDB2010 NA NA +MJ023103 1-Hexadecanol; Ac C18H36O2 284.27153 NA MeJP NA NA +MJ023104 14-Hydroxy-8-octadecanone C18H36O2 284.27153 NA MeJP NA NA +MJ023105 16-Methylheptadecanoic acid C18H36O2 284.27153 NA MeJP NA NA +MJ023106 2-Methylheptadecanoic acid C18H36O2 284.27153 NA MeJP NA NA +MJ023107 2-Methylhexadecanoic acid, Me ester C18H36O2 284.27153 NA MeJP NA NA +MJ023108 3,7,9-Trimethyl-2-tridecanol, Ac C18H36O2 284.27153 NA MeJP NA NA +MJ023109 3-Methylheptadecanoic acid C18H36O2 284.27153 NA MeJP NA NA +MJ023110 Octadecanoic acid C18H36O2 284.27153 NA MeJP NA NA +MetaCyc02530 stearate [octadecanoate (n-C18:0);stearic acid;] C18H36O2 284.27153 57-11-4 metacyc NA NA +MJ023111 11-(2-Pyrrolidinyl)-2-undecylamine; N1-(2-Hydroxyethyl) C17H36N2O 284.282763 NA MeJP NA NA +8202 ACE inhibitor VIPEL 284.665 MH2+ Inhouse_peptide NA peptide +MJ023112 2,3,5-Trichloro-6-nitro-1,4-benzenediol; Di-Me ether C8H6Cl3NO4 284.93624 NA MeJP NA NA +MJ023113 4-Amino-6-chloro-1,3-benzenedisulfonic acid; Diamide C6H8ClN3O4S2 284.964474 NA MeJP NA NA +C07460 Chloraminophenamide C6H8ClN3O4S2 284.9645 NA KEGG NA NA +MJ023114 Nitrosulfathiazole C9H7N3O4S2 284.987797 NA MeJP NA NA +C10981 Vinclozolin C12H9Cl2NO3 284.9959 NA KEGG NA NA +C05155 5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone C10H8ClN3O5 285.0152 NA KEGG NA NA +C05156 Aminoacyl-tRNA C12H19NO11PR3 285.0152 NA KEGG NA NA +C05157 Peptidyl-aminoacyl-tRNA C14H21N2O12PR4 285.0152 NA KEGG NA NA +MetaCyc02531 5-amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone [] C10H8N3O5CL1 285.015248 NA metacyc NA NA +HMDB06874 Methylcorrinoid C19HN4 285.02011 http://www.hmdb.ca/metabolites/HMDB06874 HMDB NA NA +HMDB06874 Methylcorrinoid C19HN4 285.02011 HMDB06874 PFEM_hmdb_metabocards_official NA NA +HMDB06211 2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine C6H12N3O8P 285.03619 http://www.hmdb.ca/metabolites/HMDB06211 HMDB NA NA +HMDB06211 2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine C6H12N3O8P 285.03619 HMDB06211 PFEM_hmdb_metabocards_official NA NA +HMDB06211 2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine C6H12N3O8P 285.036194 NA HMDB2010 NA NA +C08728 Riccionidin A C15H9O6 285.0399 NA KEGG NA NA +FL7DUNNS0001 Riccionidin A C15H9O6 285.03991 155518-34-6 knapsack NA NA +JH216 Isorhamnetin [M+H-OMe]+ NA 285.03993 19.02 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH216 Isorhamnetin [M+H-OMe]+ NA 285.03993 19.02 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH216 Isorhamnetin [M+H-OMe]+ NA 285.03993 19.02 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH216 Isorhamnetin [M+H-OMe]+ NA 285.03993 19.02 Inhousejuil11 NA NA +MJ023115 5-Amino-9-chloro-2-(2-furanyl)[1,2,4]triazolo[1,5-c]quinoline C13H8ClN5O 285.041737 NA MeJP NA NA +MJ023116 Nifuratel C10H11N3O5S 285.041941 NA MeJP NA NA +MJ023117 2-Chloroadenosine; 2'-Deoxy C10H12ClN5O3 285.062866 NA MeJP NA NA +MJ023118 Actinomycinol C15H11NO5 285.063722 NA MeJP NA NA +MJ023119 Bostrycoidin C15H11NO5 285.063722 NA MeJP NA NA +MJ023120 Marcanine A; 6-Hydroxy, 3-methoxy C15H11NO5 285.063722 NA MeJP NA NA +MJ023121 Scorazanone C15H11NO5 285.063722 NA MeJP NA NA +MJ023122 Fropenem C12H15NO5S 285.067093 NA MeJP NA NA +7751 ACE inhibitor from shark meat hydrolysate CF 285.068 antioxidative Inhouse_peptide NA peptide +MJ023123 8-Azaxanthosine C9H11N5O6 285.070933 NA MeJP NA NA +MJ023124 Stirimazole C14H11N3O4 285.074955 NA MeJP NA NA +CJpos0682 Xanthosine [(M+H)]+ (13C) C913CH13N4O6 285.078475 C18rt(min)=4.27 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0682 Xanthosine [(M+H)]+ (13C) C913CH13N4O6 285.078475 C18rt(min)=4.27 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJneg0497 Xanthosine [(M-H)]- (13C) C913CH11N4O6 285.079625 C18rt(min)=4.27 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0497 Xanthosine [(M-H)]- (13C) C913CH11N4O6 285.079625 C18rt(min)=4.27 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ023125 Flunoxaprofen C16H12FNO3 285.080121 NA MeJP NA NA +MJ023126 3-Pyridinecarboxylic acid; ?-D-Glucopyranosyl ester C12H15NO7 285.084851 NA MeJP NA NA +MJ023127 4-[(2-Hydroxy-4,5-dimethoxyphenyl)amino]-3-hydroxy-4-oxobutanoic acid C12H15NO7 285.084851 NA MeJP NA NA +MJ023128 Buchananine C12H15NO7 285.084851 NA MeJP NA NA +C10134 Buchananine C12H15NO7 285.0849 NA KEGG NA NA +MJ023129 3'-Deoxy-3'-fluoroguanosine C10H12FN5O4 285.087332 NA MeJP NA NA +MJ023130 Fludarabine C10H12FN5O4 285.087332 NA MeJP NA NA +MJ023131 Rutaecarpine; 7,8-Didehydro C18H11N3O 285.090211 NA MeJP NA NA +MJ023132 5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole C17H16ClNO 285.092041 NA MeJP NA NA +CJpos0683 N4-acetylcytidine [(M+H)]+ C11H16N3O6 285.095575 C18rt(min)=4.51 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0683 N4-acetylcytidine [(M+H)]+ C11H16N3O6 285.095575 C18rt(min)=4.51 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ023133 4,9-Anhydrotetrodotoxin; 11-Deoxy C11H15N3O6 285.096085 NA MeJP NA NA +MJ023134 Cytidine; 4N-Ac C11H15N3O6 285.096085 NA MeJP NA NA +HMDB05923 N4-Acetylcytidine C11H15N3O6 285.0961 http://www.hmdb.ca/metabolites/HMDB05923 HMDB NA NA +HMDB05923 N4-Acetylcytidine C11H15N3O6 285.0961 HMDB05923 PFEM_hmdb_metabocards_official NA NA +HMDB05923 N4-Acetylcytidine C11H15N3O6 285.0961 NA HMDB2010 NA NA +CJneg0498 N4-acetylcytidine [(M-H)]- C11H14N3O6 285.096625 C18rt(min)=4.51 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0498 N4-acetylcytidine [(M-H)]- C11H14N3O6 285.096625 C18rt(min)=4.51 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +HMDB06909 1-Acyl-sn-glycero-3-phosphocholine C9H20NO7P 285.09775 http://www.hmdb.ca/metabolites/HMDB06909 HMDB NA NA +HMDB06909 1-Acyl-sn-glycero-3-phosphocholine C9H20NO7P 285.09775 HMDB06909 PFEM_hmdb_metabocards_official NA NA +C10643 Arborinine C16H15NO4 285.1001 NA KEGG NA NA +MJ023135 1,2,3-Trihydroxyacridone; 2,3,10-O,O,N-Tri-Me C16H15NO4 285.100107 NA MeJP NA NA +MJ023136 1,3,4-Trihydroxyacridone; O3,O4,N-Tri-Me C16H15NO4 285.100107 NA MeJP NA NA +MJ023137 1,3,5-Trihydroxyacridone; O3,O5,N-Tri-Me C16H15NO4 285.100107 NA MeJP NA NA +MJ023138 2,7-Dihydroxy-9H-carbazole-3-carboxaldehyde; 3-Carboxylic acid, di-Me ether, Me ester C16H15NO4 285.100107 NA MeJP NA NA +MJ023139 3-Amino-2-hydroxy-3-phenylpropanoic acid, N-Benzoyl C16H15NO4 285.100107 NA MeJP NA NA +MJ023140 4-Hydroxy-3-methoxy-2-methyl-9H-carbazole-1-carboxaldehyde; 6-Methoxy C16H15NO4 285.100107 NA MeJP NA NA +MJ023141 Anirolac C16H15NO4 285.100107 NA MeJP NA NA +MJ023142 Araprofen C16H15NO4 285.100107 NA MeJP NA NA +MJ023143 Ismineyl C16H15NO4 285.100107 NA MeJP NA NA +MJ023144 Oduline; 7-Ketone, N-de-Me C16H15NO4 285.100107 NA MeJP NA NA +MJ023145 Ptelefolidone C16H15NO4 285.100107 NA MeJP NA NA +C08163 Letrozole C17H11N5 285.1014 NA KEGG NA NA +MJ023146 Letrozole C17H11N5 285.101445 NA MeJP NA NA +MJ023147 Probenecid C13H19NO4S 285.103478 NA MeJP NA NA +C07372 Probenecid C13H19NO4S 285.1035 NA KEGG NA NA +C07195 Vidarabine C10H13N5O4 285.1073 NA KEGG NA NA +MJ023148 Verazide C15H15N3O3 285.111341 NA MeJP NA NA +MJ023149 2,4-Dimethyl-1H-pyrrole-3-carboxylic acid; ?-L-Rhamnopyranosyl ester C13H19NO6 285.121237 NA MeJP NA NA +MJ023150 Mycosporin 2 C13H19NO6 285.121237 NA MeJP NA NA +MJ023151 Taniplon C14H15N5O2 285.122574 NA MeJP NA NA +MJ023152 1-(3-Indolyl)-?-carboline; 3,4-Dihydro C19H15N3 285.126597 NA MeJP NA NA +MJ023153 Isothipendyl C16H19N3S 285.129968 NA MeJP NA NA +MJ023154 Prothipendyl C16H19N3S 285.129968 NA MeJP NA NA +HMDB02171 Glycylprolylhydroxyproline C12H19N3O5 285.132477 NA HMDB2010 NA NA +HMDB02171 Glycylprolylhydroxyproline C12H19N3O5 285.13248 http://www.hmdb.ca/metabolites/HMDB02171 HMDB NA NA +HMDB02171 Glycylprolylhydroxyproline C12H19N3O5 285.13248 HMDB02171 PFEM_hmdb_metabocards_official NA NA +MJ023155 Lanperisone C15H18F3NO 285.134048 NA MeJP NA NA +MJ023156 1-Piperoylpiperidine C17H19NO3 285.136493 NA MeJP NA NA +MJ023157 2,3-Dihydroxy-3-phenylpropanoic acid, 2-Phenylethylamide C17H19NO3 285.136493 NA MeJP NA NA +MJ023158 3,4,6-Trihydroxy-1,2-dimethylcarbazole; Tri-Me ether C17H19NO3 285.136493 NA MeJP NA NA +MJ023159 Anicanine, O6,N-Di-de-Me C17H19NO3 285.136493 NA MeJP NA NA +MJ023160 Apohyoscine C17H19NO3 285.136493 NA MeJP NA NA +MJ023161 Buphanisine C17H19NO3 285.136493 NA MeJP NA NA +MJ023162 Cherylline C17H19NO3 285.136493 NA MeJP NA NA +MJ023163 Corgoine C17H19NO3 285.136493 NA MeJP NA NA +MJ023164 Crotsparinine C17H19NO3 285.136493 NA MeJP NA NA +MJ023165 Erysotrine, O15,O16-Di-de-Me C17H19NO3 285.136493 NA MeJP NA NA +MJ023166 Erysotrine, O3,O15-Di-de-Me C17H19NO3 285.136493 NA MeJP NA NA +MJ023167 Erysotrine, O3,O16-Di-de-Me C17H19NO3 285.136493 NA MeJP NA NA +MJ023168 Higenamine, O6-Me C17H19NO3 285.136493 NA MeJP NA NA +MJ023169 Higenamine, O7-Me C17H19NO3 285.136493 NA MeJP NA NA +MJ023170 Higenamine, N-Me C17H19NO3 285.136493 NA MeJP NA NA +MJ023171 Higenamine, O6-Me C17H19NO3 285.136493 NA MeJP NA NA +MJ023172 Hydromorphone C17H19NO3 285.136493 NA MeJP NA NA +MJ023173 Isocrotsparinine C17H19NO3 285.136493 NA MeJP NA NA +MJ023174 Jacularine C17H19NO3 285.136493 NA MeJP NA NA +MJ023175 Juziphine; N-De-Me C17H19NO3 285.136493 NA MeJP NA NA +MJ023176 Latifine C17H19NO3 285.136493 NA MeJP NA NA +MJ023177 Moiramide A C17H19NO3 285.136493 NA MeJP NA NA +MJ023178 Morphine C17H19NO3 285.136493 NA MeJP NA NA +MJ023179 Narcissus Base D C17H19NO3 285.136493 NA MeJP NA NA +MJ023180 Narwedine C17H19NO3 285.136493 NA MeJP NA NA +MJ023181 Normorphine; 3-Me ether C17H19NO3 285.136493 NA MeJP NA NA +MJ023182 Strobamine; 7-Hydroxy C17H19NO3 285.136493 NA MeJP NA NA +MJ023183 Tembamide, Me ether C17H19NO3 285.136493 NA MeJP NA NA +MJ023184 Ungernia severtzovii Alkaloid C17H19NO3 285.136493 NA MeJP NA NA +MJ023185 (S)-Coclaurine C17H19NO3 285.136493 NA MeJP NA NA +MJ023186 Morphine C17H19NO3 285.136493 NA MeJP NA NA +MJ023187 Balfourodinium, 1'-Deoxy, 1',2'-didehydro C17H20NO3(+) 285.136493 NA MeJP NA NA +MetaCyc02532 (S)-coclaurine [] C17H19N1O3 285.136493 NA metacyc NA NA +MetaCyc02533 (R)-coclaurine [] C17H19N1O3 285.136493 NA metacyc NA NA +MetaCyc02534 N-(E,E)-piperoyl-piperidine [] C17H19N1O3 285.136493 94-62-2 metacyc NA NA +MetaCyc02535 morphine [] C17H19N1O3 285.136493 57-27-2 metacyc NA NA +C01516 Morphine C17H19NO3 285.1365 NA KEGG NA NA +C03882 Piperine C17H19NO3 285.1365 NA KEGG NA NA +C06161 (S)-Coclaurine C17H19NO3 285.1365 NA KEGG NA NA +C06348 (R,S)-Coclaurine C17H19NO3 285.1365 NA KEGG NA NA +C06349 (R)-Coclaurine C17H19NO3 285.1365 NA KEGG NA NA +C07042 Hydromorphone C17H19NO3 285.1365 NA KEGG NA NA +C08534 Narwedine C17H19NO3 285.1365 NA KEGG NA NA +C09422 Erysonine C17H19NO3 285.1365 NA KEGG NA NA +C10844 Apohyoscine C17H19NO3 285.1365 NA KEGG NA NA +C12167 Cherylline C17H19NO3 285.1365 NA KEGG NA NA +C16576 Norcodeine C17H19NO3 285.1365 NA KEGG NA NA +C10587 Cynometrine C16H19N3O2 285.1477 NA KEGG NA NA +MJ023188 Cyclo(tryptophylvalyl) C16H19N3O2 285.147726 NA MeJP NA NA +MJ023189 Cynolujine C16H19N3O2 285.147726 NA MeJP NA NA +MJ023190 Cynometrine C16H19N3O2 285.147726 NA MeJP NA NA +MJ023191 Isocynometrine C16H19N3O2 285.147726 NA MeJP NA NA +MJ023192 Intriptyline C21H19N 285.151749 NA MeJP NA NA +3094 gliadin 1 exorphin PLG 285.157 celiac toxic Inhouse_peptide NA peptide +3370 ACE inhibitor from beta-CN (177-179) AVP 285.157 celiac toxic Inhouse_peptide NA peptide +3521 ACE inhibitor VAP 285.157 ACE inhibitor Inhouse_peptide NA peptide +7506 ACE inhibitor from Alaskan pollack skin GPL 285.157 antioxidative Inhouse_peptide NA peptide +7507 ACE inhibitor from Alaskan pollack skin PGL 285.157 antioxidative Inhouse_peptide NA peptide +7508 ACE inhibitor from Alaskan pollack skin LGP 285.157 antioxidative Inhouse_peptide NA peptide +7509 ACE inhibitor from Alaskan pollack skin GLP 285.157 antioxidative Inhouse_peptide NA peptide +7510 ACE inhibitor from Alaskan pollack skin PLG 285.157 antioxidative Inhouse_peptide NA peptide +7511 ACE inhibitor from Alaskan pollack skin LPG 285.157 antioxidative Inhouse_peptide NA peptide +MJ023193 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-(2-Hydroxy-3-methylpentanoyl)(2S,3S-), N-oxide C14H23NO5 285.157622 NA MeJP NA NA +MJ023194 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O9-(2-Hydroxy-3-methylpentanoyl)(2S,3S-), N-oxide C14H23NO5 285.157622 NA MeJP NA NA +44 Skin gelatin GPL 285.158 celiac toxic Inhouse_peptide NA peptide +C01833 Leu-Gly-Pro C13H23N3O4 285.1689 NA KEGG NA NA +C01834 Lipoprotein C13H23N3O4 285.1689 NA KEGG NA NA +PJ000170 GPL C13H23N3O4 285.1689 NA PeJP NA NA +MJ023195 2,3-Hexalobine E C18H23NO2 285.172878 NA MeJP NA NA +MJ023196 2-Nonyl-4(1H)-quinolinone; 8'-Oxo C18H23NO2 285.172878 NA MeJP NA NA +MJ023197 3,5-Bis(3-methyl-2-butenyl)-1H-indole; (2'R,3':2''S,3'')-Diepoxide C18H23NO2 285.172878 NA MeJP NA NA +MJ023198 3,5-Bis(3-methyl-2-butenyl)-1H-indole; ?1''-Isomer, 3''-hydroxy, 2'R,3'-epoxide C18H23NO2 285.172878 NA MeJP NA NA +MJ023199 3,6-Bis(3-methyl-2-butenyl)-1H-indole; 2'R,3':2''R,3''-Bisepoxide C18H23NO2 285.172878 NA MeJP NA NA +MJ023200 3,6-Bis(3-methyl-2-butenyl)-1H-indole; 2'S,3':2''S,3''-Bisepoxide C18H23NO2 285.172878 NA MeJP NA NA +MJ023201 3,6-Bis(3-methyl-2-butenyl)-1H-indole; ?1''-Isomer(E-), 3''-hydroxy, 2'R,3'-epoxide C18H23NO2 285.172878 NA MeJP NA NA +MJ023202 3,6-Bis(3-methyl-2-butenyl)-1H-indole; ?1''-Isomer(Z-), 3''-hydroxy, 2'R,3'-epoxide C18H23NO2 285.172878 NA MeJP NA NA +MJ023203 Butinazocine C18H23NO2 285.172878 NA MeJP NA NA +MJ023204 Cocculine; Me ether C18H23NO2 285.172878 NA MeJP NA NA +MJ023205 Dienomycin C; O-Ac C18H23NO2 285.172878 NA MeJP NA NA +MJ023206 Isococculidine C18H23NO2 285.172878 NA MeJP NA NA +MJ023207 Ketazocine C18H23NO2 285.172878 NA MeJP NA NA +MJ023208 Medrylamine C18H23NO2 285.172878 NA MeJP NA NA +MJ023209 Pachygonine C18H24NO2(+) 285.172879 NA MeJP NA NA +C09546 Isococculidine C18H23NO2 285.1729 NA KEGG NA NA +C11798 Mepyramine C17H23N3O 285.1841 NA KEGG NA NA +MJ023210 Mepyramine C17H23N3O 285.184112 NA MeJP NA NA +MJ023211 Piperylone C17H23N3O 285.184112 NA MeJP NA NA +CJpos0684 Octenoylcarnitine [(M+H)]+ C15H28NO4 285.193475 C18rt(min)=7.3 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0684 Octenoylcarnitine [(M+H)]+ C15H28NO4 285.193475 C18rt(min)=7.3 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB13324 2-Octenoylcarnitine C15H27NO4 285.194 NA HMDB2010 NA NA +MJ023212 Trachelanthamine C15H27NO4 285.194008 NA MeJP NA NA +MJ023213 2,4,10-Tetradecatrien-8-ynoic acid, Piperidide C19H27NO 285.209264 NA MeJP NA NA +MJ023214 2,4-Tetradecadiene-8,10-diynoic acid, 3-Methylbutylamide C19H27NO 285.209264 NA MeJP NA NA +MJ023215 2,9-Pentadecadiene-12,14-diynoic acid, 2-Methylpropylamide C19H27NO 285.209264 NA MeJP NA NA +MJ023216 2-Nonyl-4(1H)-quinolinone; NH-form, N-Me C19H27NO 285.209264 NA MeJP NA NA +MJ023217 3-Methyl-2-(2-nonenyl)-4(1H)-quinolinone; 2',3'-Dihydro C19H27NO 285.209264 NA MeJP NA NA +MJ023218 Anacycline, N-Me C19H27NO 285.209264 NA MeJP NA NA +MJ023219 Ciprefadol C19H27NO 285.209264 NA MeJP NA NA +MJ023220 Histrionicotoxins; Histrionicotoxin 285A C19H27NO 285.209264 NA MeJP NA NA +MJ023221 Histrionicotoxins; Histrionicotoxin 285B C19H27NO 285.209264 NA MeJP NA NA +MJ023222 Histrionicotoxins; Histrionicotoxin 285C C19H27NO 285.209264 NA MeJP NA NA +MJ023223 Histrionicotoxins; Histrionicotoxin 285E C19H27NO 285.209264 NA MeJP NA NA +MJ023224 Pentazocine C19H27NO 285.209264 NA MeJP NA NA +C07421 Pentazocine C19H27NO 285.2093 NA KEGG NA NA +MJ023225 Sulfinemycin C16H31NOS 285.212635 NA MeJP NA NA +MJ023226 2-Amino-4-heptadecene-1,3-diol C17H35NO2 285.266779 NA MeJP NA NA +7848 NA YPFF~ 285.6335 MH2+ Inhouse_peptide NA peptide +C15236 8-Hydroxy-2,3,4-trichlorodibenzofuran C12H5Cl3O2 285.9355 NA KEGG NA NA +C15238 8-Hydroxy-3,4,6-trichlorodibenzofuran C12H5Cl3O2 285.9355 NA KEGG NA NA +MJ023227 2,2'-Thiobis[4-chlorophenol] C12H8Cl2O2S 285.962205 NA MeJP NA NA +MJ023228 Flufosal C8H6F3O6P 285.985409 NA MeJP NA NA +MJ023229 Brallobarbital C10H11BrN2O3 285.995304 NA MeJP NA NA +MJ023230 [2-(3-Bromo-4-hydroxyphenyl)ethyl]ethanediamide C10H11BrN2O3 285.995304 NA MeJP NA NA +MJ023231 4,7-Dialkyl-1,2,3,5,6-pentathiepanes; 4-Isopropyl-7-(2-methylpropyl)-1,2,3,5,6-pentathiepane C9H18S5 286.001204 NA MeJP NA NA +MetaCyc02536 indolylmethyl glucosinolate aglycone [] C10H10N2O4S2 286.008198 NA metacyc NA NA +MJ023232 3-[5-(2-Thienylethynyl)-2-thienyl]-2-propyn-1-ol; Ac C15H10O2S2 286.01222 NA MeJP NA NA +MJ023233 5-(2,3-Dichlorophenyl)-6-(fluoromethyl)-2,4-pyrimidinediamine C11H9Cl2FN4 286.018829 NA MeJP NA NA +MJ023234 Sulfametrole C9H10N4O3S2 286.019431 NA MeJP NA NA +MJ023235 Djenkolic acid, S,S'-Dioxide C7H14N2O6S2 286.029327 NA MeJP NA NA +JH213 Taxifolin (=dihydroquercetin) [M+H-H20]+ NA 286.0466 14.15 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH213 Taxifolin (=dihydroquercetin) [M+H-H20]+ NA 286.0466 14.15 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH213 Taxifolin (=dihydroquercetin) [M+H-H20]+ NA 286.0466 14.15 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH213 Taxifolin (=dihydroquercetin) [M+H-H20]+ NA 286.0466 14.15 Inhousejuil11 NA NA +JH196 Kaempferol [M+H]+ C15H10O6 286.0471 19.43 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH196 Kaempferol [M+H]+ C15H10O6 286.0471 19.43 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH196 Kaempferol [M+H]+ C15H10O6 286.0471 19.43 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH196 Kaempferol [M+H]+ C15H10O6 286.0471 19.43 Inhousejuil11 NA NA +JH197 Luteolin [M+H]+ C15H10O6 286.0472 17.31 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH197 Luteolin [M+H]+ C15H10O6 286.0472 17.31 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH197 Luteolin [M+H]+ C15H10O6 286.0472 17.31 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH197 Luteolin [M+H]+ C15H10O6 286.0472 17.31 Inhousejuil11 NA NA +JH232 Luteolin-4-O-glucoside [M+H-glucoside]+ NA 286.0474 14.55 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH232 Luteolin-4-O-glucoside [M+H-glucoside]+ NA 286.0474 14.55 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH232 Luteolin-4-O-glucoside [M+H-glucoside]+ NA 286.0474 14.55 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH232 Luteolin-4-O-glucoside [M+H-glucoside]+ NA 286.0474 14.55 Inhousejuil11 NA NA +C01514 Luteolin C15H10O6 286.0477 NA KEGG NA NA +C05903 Kaempferol C15H10O6 286.0477 NA KEGG NA NA +C08576 Aureusidin C15H10O6 286.0477 NA KEGG NA NA +C08720 Maritimetin C15H10O6 286.0477 NA KEGG NA NA +C08721 Polysialic acid acetylated at O-9 C15H10O6 286.0477 NA KEGG NA NA +C10036 Datiscetin C15H10O6 286.0477 NA KEGG NA NA +C10041 Fisetin C15H10O6 286.0477 NA KEGG NA NA +C10097 Isoscutellarein C15H10O6 286.0477 NA KEGG NA NA +C10184 Scutellarein C15H10O6 286.0477 NA KEGG NA NA +C10510 Orobol C15H10O6 286.0477 NA KEGG NA NA +C12134 2'-Hydroxygenistein C15H10O6 286.0477 NA KEGG NA NA +C17786 6-Demethoxycapillarisin C15H10O6 286.0477 NA KEGG NA NA +C17810 Citreorosein C15H10O6 286.0477 NA KEGG NA NA +HMDB05800 Luteolin C15H10O6 286.047729 NA HMDB2010 NA NA +HMDB05801 Kaempferol C15H10O6 286.047729 NA HMDB2010 NA NA +HMDB05794 Quercetin C15H10O6 286.04773 http://www.hmdb.ca/metabolites/HMDB05794 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05801 kaempferol C15H10O6 286.04773 http://www.hmdb.ca/metabolites/HMDB05801 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05794 Quercetin C15H10O6 286.04773 http://www.hmdb.ca/metabolites/HMDB05794 HMDB NA NA +HMDB05800 Luteolin C15H10O6 286.04773 http://www.hmdb.ca/metabolites/HMDB05800 HMDB NA NA +HMDB05801 kaempferol C15H10O6 286.04773 http://www.hmdb.ca/metabolites/HMDB05801 HMDB NA NA +FL1A3CNS0001 Maritimetin C15H10O6 286.04773 576-02-3 knapsack NA NA +FL1AACNS0001 Aureusidin C15H10O6 286.04773 480-70-6 knapsack NA NA +FL1AFANS0001 Helmon;4,7,4',6-Tetrahydroxyaurone C15H10O6 286.04773 160525-59-7 knapsack NA NA +FL3F1GNS0001 7,3',4',5'-Tetrahydroxyflavone C15H10O6 286.04773 67858-31-5 knapsack NA NA +FL3FA8NS0007 5,7,2',5'-Tetrahydroxyflavone;2-(2,5-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C15H10O6 286.04773 74805-72-4 knapsack NA NA +FL3FA8NS0010 5,7,2',6'-Tetrahydroxyflavone;2-(2,6-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C15H10O6 286.04773 82475-00-1 knapsack NA NA +FL3FA8NS0013 5,7,2',3'-Tetrahydroxyflavone;2-(2,3-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C15H10O6 286.04773 74805-70-2 knapsack NA NA +FL3FACNS0001 Luteolin C15H10O6 286.04773 491-70-3 knapsack NA NA +FL3FALNS0002 Norartocarpetin C15H10O6 286.04773 520-30-9 knapsack NA NA +FL3FEANS0002 Scutellarein C15H10O6 286.04773 529-53-3 knapsack NA NA +FL3FFANS0001 Isoscutellarein;8-Hydroxyapigenin;4',5,7,8-Tetrahydroxyflavone;5,7,8-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C15H10O6 286.04773 41440-05-5 knapsack NA NA +FL5F1CNS0001 Fisetin;3,3',4',7-Tetrahydroxyflavone;2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4H-1-benzopyran-4-one C15H10O6 286.04773 528-48-3 knapsack NA NA +FL5F3ANS0001 3,7,8,4'-Tetrahydroxyflavone C15H10O6 286.04773 1429-28-3 knapsack NA NA +FL5FA8NS0001 Datiscetin C15H10O6 286.04773 480-15-9 knapsack NA NA +FL5FAANS0001 Kaempferol;Nimbecetin;Pelargidenolon;Rhamnolutein;3,5,7,4'-Tetrahydroxyflavone;5,7,4'-Trihydroxyflavonol;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C15H10O6 286.04773 520-18-3 knapsack NA NA +FL5FE9NS0001 6-Hydroxygalangin;3,5,6,7-Tetrahydroxy-2-phenyl-4H-1-benzopyran-4-one C15H10O6 286.04773 142646-44-4 knapsack NA NA +FL5FF9NS0001 8-Hydroxygalangin C15H10O6 286.04773 74693-69-9 knapsack NA NA +FLIA1GNS0001 Baptigenin C15H10O6 286.04773 5908-63-4 knapsack NA NA +FLIA3LNS0003 7,8,2',4'-Tetrahydroxyisoflavone C15H10O6 286.04773 14756-61-7 knapsack NA NA +FLIAACNS0001 Orobol;Norsantal;Santol;5,7,3',4'-Tetrahydroxyisoflavone C15H10O6 286.04773 480-23-9 knapsack NA NA +FLIAALNS0002 2'-Hydroxygenistein C15H10O6 286.04773 1156-78-1 knapsack NA NA +FLIAEANS0004 6-Hydroxygenistein C15H10O6 286.04773 13539-26-9 knapsack NA NA +HMDB05794 Quercetin C15H10O6 286.04773 http://www.hmdb.ca/metabolites/HMDB05794 PFEM_hmdb_metabocards_blood NA blood +HMDB05801 kaempferol C15H10O6 286.04773 http://www.hmdb.ca/metabolites/HMDB05801 PFEM_hmdb_metabocards_blood NA blood +HMDB05794 Quercetin C15H10O6 286.04773 HMDB05794 PFEM_hmdb_metabocards_official NA NA +HMDB05800 Luteolin C15H10O6 286.04773 HMDB05800 PFEM_hmdb_metabocards_official NA NA +HMDB05801 kaempferol C15H10O6 286.04773 HMDB05801 PFEM_hmdb_metabocards_official NA NA +MJ023236 1,2,3,5-Tetrahydroxy-6-methylanthraquinone C15H10O6 286.047738 NA MeJP NA NA +MJ023237 1,2,3,6-Tetrahydroxy-8-methylanthraquinone C15H10O6 286.047738 NA MeJP NA NA +MJ023238 1,2,3,7-Tetrahydroxyxanthone; 2,3-Methylene, 1-Me ether C15H10O6 286.047738 NA MeJP NA NA +MJ023239 1,2,3,8-Tetrahydroxy-6-methylanthraquinone C15H10O6 286.047738 NA MeJP NA NA +MJ023240 1,2,3,8-Tetrahydroxyanthraquinone; 2-Me ether C15H10O6 286.047738 NA MeJP NA NA +MJ023241 1,2,4,5-Tetrahydroxy-3-methylanthraquinone C15H10O6 286.047738 NA MeJP NA NA +MJ023242 1,2,4,5-Tetrahydroxy-7-methylanthraquinone C15H10O6 286.047738 NA MeJP NA NA +MJ023243 1,2,4,5-Tetrahydroxyanthraquinone; 1-Me ether C15H10O6 286.047738 NA MeJP NA NA +MJ023244 1,2,5,7-Tetrahydroxy-4-methylanthraquinone C15H10O6 286.047738 NA MeJP NA NA +MJ023245 1,2,6,8-Tetrahydroxy-3-methylanthraquinone C15H10O6 286.047738 NA MeJP NA NA +MJ023246 1,2,8-Trihydroxy-6-(hydroxymethyl)anthraquinone C15H10O6 286.047738 NA MeJP NA NA +MJ023247 1,3,4,5-Tetrahydroxy-2-methylanthraquinone C15H10O6 286.047738 NA MeJP NA NA +MJ023248 1,3,5,6-Tetrahydroxy-2-methylanthraquinone C15H10O6 286.047738 NA MeJP NA NA +MJ023249 1,3,8-Trihydroxy-2-hydroxymethylanthraquinone C15H10O6 286.047738 NA MeJP NA NA +MJ023250 1,3,8-Trihydroxy-6-hydroxymethylanthraquinone C15H10O6 286.047738 NA MeJP NA NA +MJ023251 1,4,5,7-Tetrahydroxy-2-methylanthraquinone C15H10O6 286.047738 NA MeJP NA NA +MJ023252 1,4,5,8-Tetrahydroxy-2-methylanthraquinone C15H10O6 286.047738 NA MeJP NA NA +MJ023253 1,4,7,8-Tetrahydroxy-2-methylanthraquinone C15H10O6 286.047738 NA MeJP NA NA +MJ023254 2',3',5,7-Tetrahydroxyflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023255 2',3,5,7-Tetrahydroxyflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023256 2',4',5,7-Tetrahydroxyflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023257 2',4',5,7-Tetrahydroxyisoflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023258 2',4',7,8-Tetrahydroxyisoflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023259 2',5,5',7-Tetrahydroxyflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023260 2',5,6',7-Tetrahydroxyflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023261 2',5,7,8-Tetrahydroxyflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023262 2,5,7-Trihydroxy-4H-1-benzopyran-4-one; 2-O-(4-Hydroxyphenyl) C15H10O6 286.047738 NA MeJP NA NA +MJ023263 2,7-Dihydroxydibenzo[b,e]dioxin-1,6-dicarboxaldehyde; 2-Me ether C15H10O6 286.047738 NA MeJP NA NA +MJ023264 2,8-Dihydroxyxanthone-1-carboxylic acid; Me ester C15H10O6 286.047738 NA MeJP NA NA +MJ023265 2-(2,3-Dihydroxybenzoyl)-6-hydroxy-1,4-benzenedicarboxaldehyde C15H10O6 286.047738 NA MeJP NA NA +MJ023266 2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione; 7-Methoxy C15H10O6 286.047738 NA MeJP NA NA +MJ023267 3',4',5',7-Tetrahydroxyflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023268 3',4',5',7-Tetrahydroxyisoflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023269 3',4',5,7-Tetrahydroxyflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023270 3',4',5,7-Tetrahydroxyisoflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023271 3',4',6,7-Tetrahydroxyaurone C15H10O6 286.047738 NA MeJP NA NA +MJ023272 3',4,4',6-Tetrahydroxyaurone C15H10O6 286.047738 NA MeJP NA NA +MJ023273 3,3',4',7-Tetrahydroxyflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023274 3,4',5,7-Tetrahydroxyflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023275 3,4',5,8-Tetrahydroxyflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023276 3,4',6,7-Tetrahydroxyflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023277 3,4',7,8-Tetrahydroxyflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023278 3,5,6,7-Tetrahydroxyflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023279 3,8-Dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid C15H10O6 286.047738 NA MeJP NA NA +MJ023280 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one; 6-Hydroxy C15H10O6 286.047738 NA MeJP NA NA +MJ023281 4',5,6,7-Tetrahydroxyflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023282 4',5,6,7-Tetrahydroxyisoflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023283 4',5,7,8-Tetrahydroxyflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023284 4',5,7,8-Tetrahydroxyisoflavone C15H10O6 286.047738 NA MeJP NA NA +MJ023285 4,4',6,7-Tetrahydroxyaurone C15H10O6 286.047738 NA MeJP NA NA +MJ023286 7-Hydroxy-9-methyl-6-oxo-6H-oxepino[2,3-b][1]benzopyran-5-carboxylic acid C15H10O6 286.047738 NA MeJP NA NA +MJ023287 9,10-Dihydro-4,5,7,9-tetrahydroxy-10-oxo-2-anthracenecarboxaldehyde C15H10O6 286.047738 NA MeJP NA NA +MJ023288 Hypostrepsilalic acid C15H10O6 286.047738 NA MeJP NA NA +MJ023289 Pinselic acid C15H10O6 286.047738 NA MeJP NA NA +MJ023290 Pratoletin C15H10O6 286.047738 NA MeJP NA NA +MJ023291 Strepsilin; 1?-Hydroxy C15H10O6 286.047738 NA MeJP NA NA +MJ023292 2',3,4',5,7-Pentahydroxyflavylium(1+) C15H11O6(+) 286.047738 NA MeJP NA NA +MJ023293 3',4',5,5',7-Pentahydroxyflavylium(1+) C15H11O6(+) 286.047738 NA MeJP NA NA +MJ023294 3,3',4',5',7-Pentahydroxyflavylium(1+) C15H11O6(+) 286.047738 NA MeJP NA NA +MJ023295 3,3',4',5,7-Pentahydroxyflavylium(1+) C15H11O6(+) 286.047738 NA MeJP NA NA +MJ023296 3,3',4',7,8-Pentahydroxyflavylium(1+) C15H11O6(+) 286.047738 NA MeJP NA NA +MJ023297 Kaempferol C15H10O6 286.047738 NA MeJP NA NA +MJ023298 Luteolin C15H10O6 286.047738 NA MeJP NA NA +MetaCyc02537 2'-hydroxygenistein [5,7,2',4'-tetrahydroxyisoflavone;] C15H10O6 286.047738 NA metacyc NA NA +MetaCyc02538 luteolin [3',4',5,7-tetrahydroxyflavone;3',4',5,7-tetrahydroxyflavone;5,7,3',4'-tetrahydroxyflavone;] C15H10O6 286.047738 491-70-3 metacyc NA NA +MetaCyc02539 kaempferol [] C15H10O6 286.047738 NA metacyc NA NA +MetaCyc02540 aureusidin [] C15H10O6 286.047738 NA metacyc NA NA +JH234 Luteolin-7-O-glucoside [M+H-glucoside]+ NA 286.0498 13.24 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH234 Luteolin-7-O-glucoside [M+H-glucoside]+ NA 286.0498 13.24 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH234 Luteolin-7-O-glucoside [M+H-glucoside]+ NA 286.0498 13.24 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH234 Luteolin-7-O-glucoside [M+H-glucoside]+ NA 286.0498 13.24 Inhousejuil11 NA NA +MJ023299 Tauromustine C7H15ClN4O4S 286.050253 NA MeJP NA NA +C07359 Oxazepam C15H11ClN2O2 286.0509 NA KEGG NA NA +MJ023300 Demoxepam C15H11ClN2O2 286.050905 NA MeJP NA NA +MJ023301 Oxazepam C15H11ClN2O2 286.050905 NA MeJP NA NA +MJ023302 Fenclorac C14H16Cl2O2 286.052735 NA MeJP NA NA +MJ023303 Imirestat C15H8F2N2O2 286.055383 NA MeJP NA NA +MJ023304 2-Cyano-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]-2-butenamide C12H9F3N2O3 286.056526 NA MeJP NA NA +C03838 5'-Phosphoribosylglycinamide C7H15N2O8P 286.0566 NA KEGG NA NA +MJ023305 Glycinamide ribonucleotide C7H15N2O8P 286.056601 NA MeJP NA NA +MJ023306 5'-Phosphoribosylglycinamide C7H15N2O8P 286.056602 NA MeJP NA NA +MetaCyc02541 5-phospho-ribosyl-glycineamide [N1-(5-Phospho-D-ribosyl)glycinamide;5'-phosphoribosylglycinamide;5'-phosphoribosylglycineamide;5'-p-ribosylglycinamide;5'-p-ribosylglycineamide;GAR;] C7H15N2O8P1 286.056602 NA metacyc NA NA +HMDB02022 Glycineamideribotide C7H15N2O8P 286.05661 http://www.hmdb.ca/metabolites/HMDB02022 HMDB NA NA +HMDB02022 Glycineamideribotide C7H15N2O8P 286.05661 HMDB02022 PFEM_hmdb_metabocards_official NA NA +HMDB02022 Glycineamideribotide C7H15N2O8P 286.05661 NA HMDB2010 NA NA +MJ023307 Cinnabarine C14H10N2O5 286.058971 NA MeJP NA NA +C15439 2-Methacryloyloxyethyl phenyl phosphate C12H15O6P 286.0606 NA KEGG NA NA +C13546 Olprinone hydrochloride C14H10N4O 286.0621 NA KEGG NA NA +MJ023308 3,4-Dihydroxybenzoic acid; ?-D-Xylopyranosyl ester C12H14O8 286.068867 NA MeJP NA NA +MJ023309 Fukiic acid, 3'-Me ether C12H14O8 286.068867 NA MeJP NA NA +MJ023310 Leptanthin C12H18N2O2S2 286.080969 NA MeJP NA NA +C00786 (-)-Vestitone C16H14O5 286.0841 NA KEGG NA NA +C00787 tRNA(Tyr) C15H21N5O10PR 286.0841 NA KEGG NA NA +C02675 Dihydrobiochanin A C16H14O5 286.0841 NA KEGG NA NA +C02922 2'-O-Methyllicodione C16H14O5 286.0841 NA KEGG NA NA +C05334 4'-Methoxy-5,7-dihydroxyflavonone C16H14O5 286.0841 NA KEGG NA NA +C08844 Moracin A C16H14O5 286.0841 NA KEGG NA NA +C08974 Sainfuran C16H14O5 286.0841 NA KEGG NA NA +C09044 Quinquangulin C16H14O5 286.0841 NA KEGG NA NA +C09282 Oxypeucedanin C16H14O5 286.0841 NA KEGG NA NA +C09833 Sakuranetin C16H14O5 286.0841 NA KEGG NA NA +C09920 Brazilin C16H14O5 286.0841 NA KEGG NA NA +C09975 2',4',6'-Trihydroxy-3'-formyldihydrochalcone C16H14O5 286.0841 NA KEGG NA NA +C10274 Phyllodulcin C16H14O5 286.0841 NA KEGG NA NA +C10508 (-)-Nissolin C16H14O5 286.0841 NA KEGG NA NA +C12434 (S)-DNPA C16H14O5 286.0841 NA KEGG NA NA +C16190 2,7-Dihydroxy-4'-methoxyisoflavanone C16H14O5 286.0841 NA KEGG NA NA +FL1C1CNS0002 Homobutein C16H14O5 286.08412 24000-39-0 knapsack NA NA +FL1C1CNS0003 3,2',4'-Trihydroxy-4-methoxychalcone C16H14O5 286.08412 13323-67-6 knapsack NA NA +FL1C1CNS0004 Sappanchalcone C16H14O5 286.08412 94344-54-4 knapsack NA NA +FL1C1CNS0005 Calythropsin C16H14O5 286.08412 - knapsack NA NA +FL1C3ANS0002 Kukulkanin B C16H14O5 286.08412 124704-83-2 knapsack NA NA +FL1CA8NS0001 2,2',4'-Trihydroxy-6'-methoxychalcone C16H14O5 286.08412 260541-75-1 knapsack NA NA +FL1CABNS0001 2',4',6'-Trihydroxy-4-methoxychalcone C16H14O5 286.08412 56927-09-4 knapsack NA NA +FL1CBANS0001 Helichrysetin;4,2',4'-Trihydroxy-6'-methoxychalcone C16H14O5 286.08412 62014-87-3 knapsack NA NA +FL1CCANS0001 Neosakuranetin C16H14O5 286.08412 81719-04-2 knapsack NA NA +FL1CHYNS0003 Licodione 2'-methyl ether C16H14O5 286.08412 75808-78-5 knapsack NA NA +FL1CHYNS0004 2',6',beta-Trihydroxy-4'-methoxychalcone C16H14O5 286.08412 35486-66-9 knapsack NA NA +FL1CHYNS0005 2',4',beta-Trihydroxy-6'-methoxychalcone C16H14O5 286.08412 126381-84-8 knapsack NA NA +FL1CRTNS0004 Licochalcone B C16H14O5 286.08412 58749-23-8 knapsack NA NA +FL1CUNNS0001 Linderone C16H14O5 286.08412 1782-79-2 knapsack NA NA +FL1D1CNS0003 2',4'-Dihydroxy-3,4-methylenedioxydihydrochalcone C16H14O5 286.08412 - knapsack NA NA +FL1DA9NM0001 3'-Formyl-2',4',6'-trihydroxydihydrochalcone C16H14O5 286.08412 135383-81-2 knapsack NA NA +FL2F9ANS0001 5,6-Dihydroxy-4'-methoxyflavanone C16H14O5 286.08412 123067-26-5 knapsack NA NA +FL2FA8NS0006 Dihydroechioidinin;5,2'-Dihydroxy-7-methoxyflavanone C16H14O5 286.08412 62346-19-4 knapsack NA NA +FL2FAANM0001 Poriol C16H14O5 286.08412 14348-16-4 knapsack NA NA +FL2FAANM0003 3-Methylnaringenin C16H14O5 286.08412 132147-69-4 knapsack NA NA +FL2FABNS0001 Isosakuranetin C16H14O5 286.08412 480-43-3 knapsack NA NA +FL2FBANS0001 Naringenin 5-methyl ether C16H14O5 286.08412 61775-19-7 knapsack NA NA +FL2FCANS0001 Sakuranetin C16H14O5 286.08412 2957-21-3 knapsack NA NA +FL2FE9NS0002 Dihydrooroxylin A;5,7-Dihydroxy-6-methoxyflavanone; C16H14O5 286.08412 18956-18-8 knapsack NA NA +FL2FF9NS0005 Dihydrowogonin C16H14O5 286.08412 4431-41-8 knapsack NA NA +FL2FF9NS0007 5,8-Dihydroxy-7-methoxyflavanone C16H14O5 286.08412 110065-74-2 knapsack NA NA +FL4D29NS0001 3,7-Dihydroxy-6-methoxyflavanone C16H14O5 286.08412 34050-66-3 knapsack NA NA +FL4DA9NM0001 3,5,7-Trihydroxy-6-methylflavanone C16H14O5 286.08412 - knapsack NA NA +FL4DA9NS0002 Pinobanksin 3-methyl ether C16H14O5 286.08412 129843-35-5 knapsack NA NA +FL4DA9NS0003 Pinobanksin 5-methyl ether C16H14O5 286.08412 119309-36-3 knapsack NA NA +FL4DA9NS0004 Alpinone C16H14O5 286.08412 480-13-7 knapsack NA NA +FL63PTNS0001 Peltogynan C16H14O5 286.08412 53802-75-8 knapsack NA NA +FLIB1CNS0001 3'-Hydroxydihydroformononetin C16H14O5 286.08412 67492-31-3 knapsack NA NA +FLIB1LNS0002 Vestitone;7,2'-Dihydroxy-4'-methoxyisoflavanone C16H14O5 286.08412 66211-83-4 knapsack NA NA +FLIBABNS0001 Dihydrobiochanin A C16H14O5 286.08412 66152-07-6 knapsack NA NA +FLICQUNS0002 Claussequinone;7-Hydroxy-4'-methoxyisoflavanquinone C16H14O5 286.08412 35878-39-8 knapsack NA NA +FLICWXNS0003 Sepiol;7,2',3'-Trihydroxy-4'-methoxyisoflavene C16H14O5 286.08412 60434-16-4 knapsack NA NA +FLICWXNS0004 Haginin C;7,2',4'-Trihydroxy-3'-methoxyisoflavene C16H14O5 286.08412 79852-14-5 knapsack NA NA +FLID1CNS0002 (-)-Nissolin C16H14O5 286.08412 73340-42-8 knapsack NA NA +FLID1CNS0003 Vesticarpan;3,10-Dihydroxy-9-methoxypterocarpan C16H14O5 286.08412 69853-46-9 knapsack NA NA +FLID1CNS0006 Kushenin;3,9-Dihydroxy-8-methoxypterocarpan C16H14O5 286.08412 99217-66-0 knapsack NA NA +FLID1CNS0007 (6aR,11aR)-3,8-Dihydroxy-9-methoxypterocarpan C16H14O5 286.08412 108335-33-7 knapsack NA NA +FLID1LNS0003 Nissicarpin;3,7-Dihydroxy-9-methoxypterocarpan C16H14O5 286.08412 89647-68-7 knapsack NA NA +FLID3ANS0003 4-Hydroxymedicarpin C16H14O5 286.08412 53950-54-2 knapsack NA NA +FLID3ANS0006 Melilotocarpan B C16H14O5 286.08412 83013-83-6 knapsack NA NA +FLIDCANS0001 Desmocarpin;1,9-Dihydroxy-3-methoxypterocarpan C16H14O5 286.08412 92358-41-3 knapsack NA NA +FLIDHXNS0006 6a-Hydroxymedicarpin;3,6a-Dihydroxy-9-methoxypterocarpan C16H14O5 286.08412 61135-92-0 knapsack NA NA +FLIDHXNS0007 6a-Hydroxyisomedicarpin;6a,9-Dihydroxy-3-methoxypterocarpan C16H14O5 286.08412 61135-93-1 knapsack NA NA +FLII1CNS0001 Sainfuran C16H14O5 286.08412 90664-32-7 knapsack NA NA +FLII1CNS0004 2',4'-Dihydroxy-5,6-dimethoxy-2-phenylbenzofuran C16H14O5 286.08412 67492-33-5 knapsack NA NA +FLII3ANS0001 Pterofuran;6-Hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)benzofuran C16H14O5 286.08412 3784-75-6 knapsack NA NA +FLII3ANS0002 Isopterofuran;6-Hydroxy-2-(4-hydroxy-2,3-dimethoxyphenyl)benzofuran C16H14O5 286.08412 74048-95-6 knapsack NA NA +FLNB2CNS0001 Brazilin C16H14O5 286.08412 474-07-7 knapsack NA NA +MJ023311 1,2,3-Trihydroxyxanthone; 1,2,3-Tri-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023312 1,2,7-Trihydroxyxanthone; Tri-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023313 1,2,8-Trihydroxyxanthone; Tri-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023314 1,3,5-Trihydroxyxanthone; Tri-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023315 1,3,6-Trihydroxy-8-methylxanthone; 3,6-Di-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023316 1,3,9-Trihydroxypterocarpan, 3-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023317 1,6,7-Trihydroxyxanthone; Tri-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023318 1-(3-Formyl-2,4,6-trihydroxyphenyl)-3-phenyl-1-propanone C16H14O5 286.084123 NA MeJP NA NA +MJ023319 1-Phenyl-3-(2,4,6-trihydroxyphenyl)-1,3-propanedione, 4'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023320 2',3',4',7-Tetrahydroxyisoflavene; 3'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023321 2',3',4',7-Tetrahydroxyisoflavene; 4'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023322 2',3',4,4'-Tetrahydroxychalcone, 3'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023323 2',3,4,4'-Tetrahydroxychalcone; 2'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023324 2',3,4,4'-Tetrahydroxychalcone; 3-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023325 2',3,4,4'-Tetrahydroxychalcone; 4'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023326 2',3,4,4'-Tetrahydroxychalcone; 4-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023327 2',3,4,4'-Tetrahydroxydihydrochalcone; 3,4-Methylene ether C16H14O5 286.084123 NA MeJP NA NA +MJ023328 2',4',5',7-Tetrahydroxyisoflavan, 4',5'-Methylene ether C16H14O5 286.084123 NA MeJP NA NA +MJ023329 2',4',5',7-Tetrahydroxyisoflavene; 2'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023330 2',4',7-Trihydroxyisoflavanone, 4'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023331 2',4,4',6'-Tetrahydroxychalcone; 2'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023332 2',4,4',6'-Tetrahydroxychalcone; 4'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023333 2',4,4',6'-Tetrahydroxychalcone; 4-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023334 2',5,7-Trihydroxyflavanone, 5-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023335 2',5,7-Trihydroxyflavanone, 7-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023336 2,3,4,4'-Tetrahydroxychalcone; 2-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023337 2,3,4,6,7-Phenanthrenepentol; 2,3-Di-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023338 2,3,4,6,7-Phenanthrenepentol; 2,4-Di-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023339 2,3,4,6,7-Phenanthrenepentol; 4,6-Di-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023340 2-(2,4-Dihydroxyphenyl)-5,6-dihydroxybenzofuran; 4',6-Di-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023341 2-(2,4-Dihydroxyphenyl)-5,6-dihydroxybenzofuran; 5,6-Di-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023342 2-(3,5-Dihydroxyphenyl)-5,6-dihydroxybenzofuran; 5,6-Di-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023343 2-Hydroxy-6-(2,4-pentadiynyl)benzoic acid; Me ether, Me ester, 1'-acetoxy C16H14O5 286.084123 NA MeJP NA NA +MJ023344 3',4',6-Trihydroxyflavanone, 4'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023345 3',4',7-Trihydroxyflavanone, 3'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023346 3',4',7-Trihydroxyisoflavanone, 4'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023347 3',5,7-Trihydroxyflavanone, 3'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023348 3,4,9-Trihydroxypterocarpan; 3-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023349 3,4,9-Trihydroxypterocarpan; 9-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023350 3,4-Dihydro-5,7-dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one, 4'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023351 3,4-Dihydro-5,7-dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one, 7-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023352 3,5,7-Trihydroxy-6-methylflavanone C16H14O5 286.084123 NA MeJP NA NA +MJ023353 3,5,7-Trihydroxyflavanone, 3-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023354 3,5,7-Trihydroxyflavanone, 5-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023355 3,5,7-Trihydroxyflavanone, 7-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023356 3,6,7-Trihydroxyflavanone, 6-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023357 3,6a,9-Trihydroxypterocarpan; 3-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023358 3,6a,9-Trihydroxypterocarpan; 9-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023359 3,7,9-Trihydroxypterocarpan, 9-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023360 3,7-Dihydroxy-1,9-dimethyl-2-dibenzofurancarboxylic acid; 7-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023361 3,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone C16H14O5 286.084123 NA MeJP NA NA +MJ023362 3,8,9-Trihydroxypterocarpan; 8-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023363 3,8,9-Trihydroxypterocarpan; 9-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023364 3,9,10-Trihydroxypterocarpan, 10-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023365 3,9,10-Trihydroxypterocarpan, 9-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023366 3-(2-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-2-propen-1-one, 2'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023367 3-(3,4-Dihydroxybenzyl)-5-hydroxy-4-chromanone C16H14O5 286.084123 NA MeJP NA NA +MJ023368 3-(3,4-Dihydroxybenzyl)-7-hydroxy-4-chromanone C16H14O5 286.084123 NA MeJP NA NA +MJ023369 3-Hydroxydehydroiso-?-lapachone, 6-Methoxy C16H14O5 286.084123 NA MeJP NA NA +MJ023370 3-Hydroxydehydroiso-?-lapachone; 5-Methoxy C16H14O5 286.084123 NA MeJP NA NA +MJ023371 4',5,6-Trihydroxyflavanone, 4'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023372 4',5,7-Trihydroxy-3-methylflavanone C16H14O5 286.084123 NA MeJP NA NA +MJ023373 4',5,7-Trihydroxy-6-methylflavanone C16H14O5 286.084123 NA MeJP NA NA +MJ023374 4',5,7-Trihydroxy-8-methylflavanone C16H14O5 286.084123 NA MeJP NA NA +MJ023375 4',5,7-Trihydroxyflavanone, 5-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023376 4',5,7-Trihydroxyisoflavanone, 4'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023377 4',5-Dihydroxy-7-methoxyflavanone C16H14O5 286.084123 NA MeJP NA NA +MJ023378 4',7,8-Trihydroxyflavanone, 8-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023379 4,10-Dihydro-9-hydroxy-1-methyl-10-oxo-3H-naphtho[2,3-c]pyran-3-acetic acid C16H14O5 286.084123 NA MeJP NA NA +MJ023380 4,5:6,7-Diepoxy-2-hexadecene-8,10,12-triyne-1,14-diol, 1-Ac C16H14O5 286.084123 NA MeJP NA NA +MJ023381 4,6-Dihydroxy-3-(4-hydroxybenzyl)-3-methyl-2(3H)-benzofuranone C16H14O5 286.084123 NA MeJP NA NA +MJ023382 4-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)benzofuran C16H14O5 286.084123 NA MeJP NA NA +MJ023383 5,6,7-Trihydroxyflavanone, 6-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023384 5,6,7-Trihydroxyflavanone, 7-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023385 5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 6,8-Di-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023386 5,7,8-Trihydroxyflavanone, 7-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023387 5,7,8-Trihydroxyflavanone, 8-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023388 5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone C16H14O5 286.084123 NA MeJP NA NA +MJ023389 5,7-Dihydroxy-4'-methoxyflavanone C16H14O5 286.084123 NA MeJP NA NA +MJ023390 5-Hydroxy-2-(2-hydroxy-4-methoxyphenyl)-6-methoxybenzofuran C16H14O5 286.084123 NA MeJP NA NA +MJ023391 6-Hydroxy-2-(2,3,4-trihydroxyphenyl)benzofuran; 2',3'-Di-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023392 6-Hydroxy-2-(2,3,4-trihydroxyphenyl)benzofuran; 2',4'-Di-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023393 7-Hydroxy-2-methylteretifolin A C16H14O5 286.084123 NA MeJP NA NA +MJ023394 8-Methyltoralactone C16H14O5 286.084123 NA MeJP NA NA +MJ023395 Agrostophyllin; 5-Hydroxy, 9,10-dihydro, O2-de-Me(1) C16H14O5 286.084123 NA MeJP NA NA +MJ023396 Agrostophyllin; 5-Hydroxy, 9,10-dihydro, O2-de-Me(2) C16H14O5 286.084123 NA MeJP NA NA +MJ023397 Asperxanthone C16H14O5 286.084123 NA MeJP NA NA +MJ023398 Brazilin C16H14O5 286.084123 NA MeJP NA NA +MJ023399 Cepacin B C16H14O5 286.084123 NA MeJP NA NA +MJ023400 Claussequinone C16H14O5 286.084123 NA MeJP NA NA +MJ023401 Clavilactone C; 13-Deoxy, 1,4-quinone C16H14O5 286.084123 NA MeJP NA NA +MJ023402 Dehydroiso-?-lapachone, 5-Hydroxy, 7-methoxy C16H14O5 286.084123 NA MeJP NA NA +MJ023403 Frutescin; O-De-Me, 1'-acetoxy C16H14O5 286.084123 NA MeJP NA NA +MJ023404 Guacetisal C16H14O5 286.084123 NA MeJP NA NA +MJ023405 Guaimesal C16H14O5 286.084123 NA MeJP NA NA +MJ023406 Heraclenin C16H14O5 286.084123 NA MeJP NA NA +MJ023407 Herbarin; 3-Deoxy, 3,4-didehydro C16H14O5 286.084123 NA MeJP NA NA +MJ023408 Imperatorin; 4'-Hydroxy C16H14O5 286.084123 NA MeJP NA NA +MJ023409 Licodione; 2'-Me ether C16H14O5 286.084123 NA MeJP NA NA +MJ023410 Linderone C16H14O5 286.084123 NA MeJP NA NA +MJ023411 Moracin A C16H14O5 286.084123 NA MeJP NA NA +MJ023412 Moracin B C16H14O5 286.084123 NA MeJP NA NA +MJ023413 Oxypeucedanin C16H14O5 286.084123 NA MeJP NA NA +MJ023414 Pabularinone C16H14O5 286.084123 NA MeJP NA NA +MJ023415 Pabulenol C16H14O5 286.084123 NA MeJP NA NA +MJ023416 Phyllodulcin C16H14O5 286.084123 NA MeJP NA NA +MJ023417 Pubeschin C16H14O5 286.084123 NA MeJP NA NA +MJ023418 Quinquangulin C16H14O5 286.084123 NA MeJP NA NA +MJ023419 Sabilactone C16H14O5 286.084123 NA MeJP NA NA +MJ023420 Xanthotoxol; O-(2-Hydroxy-3-methyl-3-butenyl) C16H14O5 286.084123 NA MeJP NA NA +MJ023421 ?-Lapachone; 4-Oxo, 9-methoxy C16H14O5 286.084123 NA MeJP NA NA +MetaCyc02542 vestitone [] C16H14O5 286.084124 66211-83-4 metacyc NA NA +MetaCyc02543 dihydrobiochanin-A [] C16H14O5 286.084124 66152-07-6 metacyc NA NA +MetaCyc02544 ponciretin [4'-methoxy-5,7-dihydroxy flavanone;] C16H14O5 286.084124 NA metacyc NA NA +MetaCyc02545 sakuranetin [4',5-dihydroxy-7-methoxyflavanone;] C16H14O5 286.084124 NA metacyc NA NA +MetaCyc02546 2'-O-methyllicodione [2'-O-methyllicodione;] C16H14O5 286.084124 NA metacyc NA NA +MetaCyc02547 2,7-dihydroxy-4'-methoxyisoflavanone [] C16H14O5 286.084124 NA metacyc NA NA +MetaCyc02548 (-)-vestitone [(3R)-vestitone;] C16H14O5 286.084124 NA metacyc NA NA +JH198 isosakuranetin [M+H]+ C16H14O5 286.0844 20.32 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH198 isosakuranetin [M+H]+ C16H14O5 286.0844 20.32 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH198 isosakuranetin [M+H]+ C16H14O5 286.0844 20.32 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH198 isosakuranetin [M+H]+ C16H14O5 286.0844 20.32 Inhousejuil11 NA NA +MJ023422 N-(1-Methyl-1H-indol-5-yl)-N'-(3-methyl-5-isothiazolyl)urea C14H14N4OS 286.088831 NA MeJP NA NA +CJpos0685 Phenylacetylglutamine [(M+Na)]+ C13H16N2NaO4 286.092375 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0685 Phenylacetylglutamine [(M+Na)]+ C13H16N2NaO4 286.092375 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MetaCyc02549 N-Glucosylnicotinate [] C12H16N1O7 286.092677 NA metacyc NA NA +C03003 N-Glucosylnicotinate C12H16NO7 286.0927 NA KEGG NA NA +MJ023423 2-(1-Bromoethyl)-2,5-dimethyl-6-(2,4-pentadienyl)tetrahydropyran C14H23BrO 286.093228 NA MeJP NA NA +MJ023424 4,8-Dihydroxy-?-carboline-1-carboxylic acid; Di-Me ether, Me ester C15H14N2O4 286.095356 NA MeJP NA NA +MJ023425 Vertilecanine A, Glycine amide C15H14N2O4 286.095356 NA MeJP NA NA +HMDB06408 4 hydroxy tolbutamide C12H18N2O4S 286.09872 http://www.hmdb.ca/metabolites/HMDB06408 HMDB NA NA +HMDB06408 4 hydroxy tolbutamide C12H18N2O4S 286.09872 HMDB06408 PFEM_hmdb_metabocards_official NA NA +HMDB06408 4-Hydroxy tolbutamide C12H18N2O4S 286.098724 NA HMDB2010 NA NA +CJpos0686 N4-acetylcytidine [(M+H)]+ (13C) C1013CH16N3O6 286.098875 C18rt(min)=4.51 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0686 N4-acetylcytidine [(M+H)]+ (13C) C1013CH16N3O6 286.098875 C18rt(min)=4.51 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ023426 2-Hydroxy-9-phenyl-1H-phenalen-1-one; Me ether C20H14O2 286.099379 NA MeJP NA NA +C14852 Benzo[a]pyrene-7,8-diol C20H14O2 286.0994 NA KEGG NA NA +MJ023427 Namirotene C17H18O2S 286.10275 NA MeJP NA NA +MJ023428 Salicin C13H18O7 286.105252 NA MeJP NA NA +MJ023429 2,4-Dimethyl-3-furancarboxylic acid; ?-L-Rhamnopyranosyl ester C13H18O7 286.105252 NA MeJP NA NA +MJ023430 2-Methyl-1,4-benzenediol; 1-O-?-D-Glucopyranoside C13H18O7 286.105252 NA MeJP NA NA +MJ023431 2-Methyl-1,4-benzenediol; 4-O-?-D-Glucopyranoside C13H18O7 286.105252 NA MeJP NA NA +MJ023432 4,6-Heptadiyne-1,3-diol; 1-O-?-D-Glucopyranoside C13H18O7 286.105252 NA MeJP NA NA +MJ023433 4-Hydroxybenzyl alcohol; 4-O-?-D-Allopyranoside C13H18O7 286.105252 NA MeJP NA NA +MJ023434 4-Hydroxybenzyl alcohol; 4-O-?-D-Glucopyranoside C13H18O7 286.105252 NA MeJP NA NA +MJ023435 5-Methyl-1,3-benzenediol; O-?-D-Glucopyranoside C13H18O7 286.105252 NA MeJP NA NA +MJ023436 Arbutin; 4'-Me ether C13H18O7 286.105252 NA MeJP NA NA +MJ023437 Isosalicin C13H18O7 286.105252 NA MeJP NA NA +MJ023438 Musacine B1 C13H18O7 286.105252 NA MeJP NA NA +MJ023439 Salicin C13H18O7 286.105252 NA MeJP NA NA +MetaCyc02550 salicin [salicoside;2-(hydroxymethyl)-phenyl-β-D-glucopyranoside;D(-)-salicin;] C13H18O7 286.105253 138-52-3 metacyc NA NA +HMDB03546 Salicin C13H18O7 286.105255 NA HMDB2010 NA NA +HMDB03546 Salicin C13H18O7 286.10526 http://www.hmdb.ca/metabolites/HMDB03546 HMDB NA NA +HMDB03546 Salicin C13H18O7 286.10526 HMDB03546 PFEM_hmdb_metabocards_official NA NA +C01451 Salicin C13H18O7 286.1053 NA KEGG NA NA +C16964 Gastrodin C13H18O7 286.1053 NA KEGG NA NA +C17599 Methylarbutin C13H18O7 286.1053 NA KEGG NA NA +MJ023440 Pyridoxal isonicotinoylhydrazone C14H14N4O3 286.10659 NA MeJP NA NA +PJ000171 MH C11H18N4O3S 286.11 NA PeJP NA NA +MJ023441 Eudistomin T C19H14N2O 286.110613 NA MeJP NA NA +MJ023442 2-Amino-3-phenyl-1-propanethiol, S-(Phenylcarbamoyl) C16H18N2OS 286.113983 NA MeJP NA NA +MJ023443 ?-Methyl-5-(2-thienylmethoxy)-1H-indole-3-ethanamine C16H18N2OS 286.113983 NA MeJP NA NA +2755 peptide regulating the stomach mucosal membrane activity GPGG 286.115 antibacterial Inhouse_peptide NA peptide +3458 Prolyl endopeptidase inhibitor GPGG 286.115 ACE inhibitor Inhouse_peptide NA peptide +3462 NA GPGG 286.115 ACE inhibitor Inhouse_peptide NA peptide +MJ023444 Metazide C13H14N6O2 286.117823 NA MeJP NA NA +C09646 7,3'-Dihydroxy-4'-methoxy-8-methylflavan C17H18O4 286.1205 NA KEGG NA NA +C10526 (-)-Sativan C17H18O4 286.1205 NA KEGG NA NA +C14294 Diphenolic acid C17H18O4 286.1205 NA KEGG NA NA +FL1D1ANS0003 4-Hydroxy-2',4'-dimethoxydihydrochalcone C17H18O4 286.1205 307500-80-7 knapsack NA NA +FL1D98NS0001 4'-Hydroxy-2,6-dimethoxydihydrochalcone C17H18O4 286.1205 - knapsack NA NA +FL1DA9NM0006 2',4'-Dihydroxy-6'-methoxy-3'-methyldihydrochalcone;Myrigalone H C17H18O4 286.1205 143502-00-5 knapsack NA NA +FL1DA9NM0007 2',6'-Dihydroxy-4'-methoxy-3'-methyldihydrochalcone C17H18O4 286.1205 83247-38-5 knapsack NA NA +FL1DA9NS0004 Dihydroflavokawin B C17H18O4 286.1205 3791-76-2 knapsack NA NA +FL1DRTNS0003 Loureirin A C17H18O4 286.1205 119425-89-7 knapsack NA NA +FL631ANM0001 Tupichinol A;(2R,3R)-3,4-Dihydro-2-(4-hydroxyphenyl)-7-methoxy-8-methyl-2H-1-benzopyran-3-ol C17H18O4 286.1205 497142-88-8 knapsack NA NA +FL6F1CNM0001 7,3'-Dihydroxy-4'-methoxy-8-methylflavan C17H18O4 286.1205 87733-81-1 knapsack NA NA +FL6F1CNM0002 7,4'-Dihydroxy-3'-methoxy-8-methylflavan C17H18O4 286.1205 84638-51-7 knapsack NA NA +FL6F1CNS0004 4'-Hydroxy-7,3'-dimethoxyflavan C17H18O4 286.1205 113236-00-3 knapsack NA NA +FL6FBBNS0001 7-Hydroxy-5,4'-dimethoxyflavan C17H18O4 286.1205 103461-94-5 knapsack NA NA +FL6FCANM0001 5,4'-Dihydroxy-7'-methoxy-8-methylflavan C17H18O4 286.1205 84638-52-8 knapsack NA NA +FL6FDANS0001 4'-Hydroxy-5,7-dimethoxyflavan C17H18O4 286.1205 103963-45-7 knapsack NA NA +FLIC1LNS0002 (-)-Sativan C17H18O4 286.1205 41743-86-6 knapsack NA NA +FLIC1LNS0007 Isosativan;2'-Hydroxy-7,4'-dimethoxyisoflavan C17H18O4 286.1205 60102-29-6 knapsack NA NA +FLIC1LNS0008 Arvensan;4'-Hydroxy-7,2'-dimethoxyisoflavan C17H18O4 286.1205 63631-41-4 knapsack NA NA +FLIJ1ANS0002 2-O-Methylangolensin C17H18O4 286.1205 58822-06-3 knapsack NA NA +FLIJ1ANS0003 4-O-Methylangolensin C17H18O4 286.1205 75946-85-9 knapsack NA NA +FLNC28NS0001 Latifolin;(R)-5,2'-Dihydroxy-2,4-dimethoxydalbergiquinol C17H18O4 286.1205 10154-42-4 knapsack NA NA +FLNC29NS0001 (S)-5,3'-Dihydroxy-2,4-dimethoxydalbergiquinol C17H18O4 286.1205 36286-66-5 knapsack NA NA +FLNC49NS0001 (R)-2,5-Dihydroxy-3,4-dimethoxydalbergiquinol;(R)-3,4Dimethoxydalbergionequinol C17H18O4 286.1205 1857-06-3 knapsack NA NA +MJ023445 1,5,11-Tridecatriene-7,9-diyne-3,4-diol, Di-Ac C17H18O4 286.120509 NA MeJP NA NA +MJ023446 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propane; 4'-Me, 3'',4''-methylene ether C17H18O4 286.120509 NA MeJP NA NA +MJ023447 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone; 2',4'-Di-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023448 1-(2,6-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone; 2',6'-Di-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023449 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3',3'',4'-Tri-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023450 1-(3-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Methylene, 3',5-di-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023451 1-(4-Hydroxyphenyl)-3-(2,4,5-trihydroxyphenyl)propane; 4'-Me, 4'',5''-methylene ether C17H18O4 286.120509 NA MeJP NA NA +MJ023452 2',4',7-Trihydroxyisoflavan; 2',4'-Di-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023453 2',4',7-Trihydroxyisoflavan; 2',7-Di-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023454 2',4',7-Trihydroxyisoflavan; 4',7-Di-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023455 2,3,4,7-Phenanthrenetetrol; 9,10-Dihydro, 3,4,7-tri-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023456 2-Methylconospermone C17H18O4 286.120509 NA MeJP NA NA +MJ023457 3',4',7-Trihydroxy-8-methylflavan, 3'-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023458 3',4',7-Trihydroxyflavan, 3',7-Di-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023459 3',4',7-Trihydroxyhomoisoflavan; 4'-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023460 3,5,11-Tridecatriene-7,9-diyne-1,2-diol, Di-Ac C17H18O4 286.120509 NA MeJP NA NA +MJ023461 3,9-Dihydroxy-1,3,5,7,9-cadinapentaen-14,2-olide; Di-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023462 3-(2,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-propanone; 2,4-Di-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023463 3-Phenyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-propanone; 4'-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023464 3-Phenyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-propanone; 6'-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023465 3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2',4'-Di-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023466 4',5,7-Trihydroxy-8-methylflavan, 7-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023467 4',5,7-Trihydroxyflavan, 4',7-Di-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023468 4',5,7-Trihydroxyflavan, 5,7-Di-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023469 4',7,8-Trihydroxyhomoisoflavan; 8-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023470 7-Hydroxy-2H-1-benzopyran-2-one; O-(6-Methyl-4-oxo-5-heptenyl) C17H18O4 286.120509 NA MeJP NA NA +MJ023471 8-Hydroxy-1(10),2,4,11(13)-guaiatetraen-12,6-olide, Ac C17H18O4 286.120509 NA MeJP NA NA +MJ023472 8-Methyl-1,2,5,7-phenanthrenetetrol; 9,10-Dihydro, 1,5-di-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023473 Agatharesinol C17H18O4 286.120509 NA MeJP NA NA +MJ023474 Alloimperatorin; 2',3'-Dihydro, Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023475 Angolensin, 2-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023476 Angolensin, 4-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023477 Anisocoumarin A C17H18O4 286.120509 NA MeJP NA NA +MJ023478 Cryptocaryalactone C17H18O4 286.120509 NA MeJP NA NA +MJ023479 Dalbergiphenol, 2-O-De-Me, 3-methoxy C17H18O4 286.120509 NA MeJP NA NA +MJ023480 Dalbergiphenol, 3'-Hydroxy C17H18O4 286.120509 NA MeJP NA NA +MJ023481 Kurzilactone C17H18O4 286.120509 NA MeJP NA NA +MJ023482 Latifolin C17H18O4 286.120509 NA MeJP NA NA +MJ023483 Mollugin; 3,4-Dihydro C17H18O4 286.120509 NA MeJP NA NA +MJ023484 Procromil C17H18O4 286.120509 NA MeJP NA NA +MJ023485 Pygmaeoherin C17H18O4 286.120509 NA MeJP NA NA +MJ023486 Trypethelone; 7-Me ether C17H18O4 286.120509 NA MeJP NA NA +MJ023487 Villostyrene, 2'-O-De-Me C17H18O4 286.120509 NA MeJP NA NA +MJ023488 Yateresinol C17H18O4 286.120509 NA MeJP NA NA +C14251 1,3-Diphenyltetramethyldisiloxane C16H22OSi2 286.1209 NA KEGG NA NA +MJ023489 Zolazepam C15H15FN4O 286.122989 NA MeJP NA NA +PJ000172 GPN C11H18N4O5 286.1277 NA PeJP NA NA +MJ023490 Pyronopaline C11H18N4O5 286.127719 NA MeJP NA NA +C10610 Pilosine C16H18N2O3 286.1317 NA KEGG NA NA +C11697 Levcromakalim C16H18N2O3 286.1317 NA KEGG NA NA +C11819 Cromakalim C16H18N2O3 286.1317 NA KEGG NA NA +MJ023491 Cromakalim C16H18N2O3 286.131742 NA MeJP NA NA +MJ023492 Epiisopiloturine C16H18N2O3 286.131742 NA MeJP NA NA +MJ023493 Gentiana Alkaloid VI C16H18N2O3 286.131742 NA MeJP NA NA +MJ023494 Picrasidine B C16H18N2O3 286.131742 NA MeJP NA NA +MJ023495 Pilosine C16H18N2O3 286.131742 NA MeJP NA NA +MJ023496 Quinolactacin A; 3-Hydroxy C16H18N2O3 286.131742 NA MeJP NA NA +MJ023497 Spinamycin C16H18N2O3 286.131742 NA MeJP NA NA +MJ023498 Boronolide; 1',2'-Di-de-Ac C14H22O6 286.141638 NA MeJP NA NA +MJ023499 Colletodiol; 11,12-Diepimer, 9,10-dihydro C14H22O6 286.141638 NA MeJP NA NA +MJ023500 Colletodiol; 9,10-Dihydro C14H22O6 286.141638 NA MeJP NA NA +MJ023501 Spicifernin C14H22O6 286.141638 NA MeJP NA NA +MJ023502 Komaroine C20H18N2 286.146998 NA MeJP NA NA +MJ023503 Thenalidine C17H22N2S 286.150369 NA MeJP NA NA +3653 NA DKPTL 286.15195 MH2+ Inhouse_peptide NA peptide +C07624 Abacavir C14H18N6O 286.1542 NA KEGG NA NA +MJ023504 Abacavir C14H18N6O 286.154209 NA MeJP NA NA +MJ023505 Butazopyridine C14H18N6O 286.154209 NA MeJP NA NA +HMDB00335 16a-Hydroxyestrone C18H22O3 286.15689 http://www.hmdb.ca/metabolites/HMDB00335 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00343 2-Hydroxyestrone C18H22O3 286.15689 http://www.hmdb.ca/metabolites/HMDB00343 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00313 16b-Hydroxyestrone C18H22O3 286.15689 http://www.hmdb.ca/metabolites/HMDB00313 HMDB NA NA +HMDB00335 16a-Hydroxyestrone C18H22O3 286.15689 http://www.hmdb.ca/metabolites/HMDB00335 HMDB NA NA +HMDB00343 2-Hydroxyestrone C18H22O3 286.15689 http://www.hmdb.ca/metabolites/HMDB00343 HMDB NA NA +HMDB00406 16-Ketoestradiol C18H22O3 286.15689 http://www.hmdb.ca/metabolites/HMDB00406 HMDB NA NA +HMDB00335 16a-Hydroxyestrone C18H22O3 286.15689 http://www.hmdb.ca/metabolites/HMDB00335 PFEM_hmdb_metabocards_blood NA blood +HMDB00343 2-Hydroxyestrone C18H22O3 286.15689 http://www.hmdb.ca/metabolites/HMDB00343 PFEM_hmdb_metabocards_blood NA blood +HMDB00313 16b-Hydroxyestrone C18H22O3 286.15689 HMDB00313 PFEM_hmdb_metabocards_official NA NA +HMDB00335 16a-Hydroxyestrone C18H22O3 286.15689 HMDB00335 PFEM_hmdb_metabocards_official NA NA +HMDB00343 2-Hydroxyestrone C18H22O3 286.15689 HMDB00343 PFEM_hmdb_metabocards_official NA NA +HMDB00406 16-Ketoestradiol C18H22O3 286.15689 HMDB00406 PFEM_hmdb_metabocards_official NA NA +HMDB00313 16b-Hydroxyestrone C18H22O3 286.156891 NA HMDB2010 NA NA +HMDB00335 16a-Hydroxyestrone C18H22O3 286.156891 NA HMDB2010 NA NA +HMDB00343 2-Hydroxyestrone C18H22O3 286.156891 NA HMDB2010 NA NA +HMDB00406 16-Ketoestradiol C18H22O3 286.156891 NA HMDB2010 NA NA +HMDB05895 4-Hydroxyestrone C18H22O3 286.156891 NA HMDB2010 NA NA +MJ023506 1-Hydroxy-6,12-tetradecadiene-8,10-diyn-3-one, 2-Methylpropanoyl C18H22O3 286.156894 NA MeJP NA NA +MJ023507 10-(4-Hydroxyphenyl)-3,5,7-decatrien-1-ol, 1-Ac C18H22O3 286.156894 NA MeJP NA NA +MJ023508 12-Hydroxy-13-methyl-8,11,13-podocarpatrien-7-one; 3-Oxo C18H22O3 286.156894 NA MeJP NA NA +MJ023509 13,14-Dihydroxy-1,8,11,13-podocarpatetraen-3-one; 13-Me ether C18H22O3 286.156894 NA MeJP NA NA +MJ023510 13-Hydroxy-12-methyl-8,11,13-podocarpatriene-3,7-dione C18H22O3 286.156894 NA MeJP NA NA +MJ023511 14,16-Epoxy-12,20-dinor-11,12-seco-5,7,9-abietatrien-11,14-olide C18H22O3 286.156894 NA MeJP NA NA +MJ023512 17-Hydroxy-9,11,13,15-octadecatetraynoic acid, 15,16-Dihydro(E-) C18H22O3 286.156894 NA MeJP NA NA +MJ023513 2,2-Dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-carboxylic acid; Me ester C18H22O3 286.156894 NA MeJP NA NA +MJ023514 3,18-Dihydroxyestra-1,3,5(10)-trien-17-one C18H22O3 286.156894 NA MeJP NA NA +MJ023515 3,20-Epoxy-13-methyl-6,8,11,13-podocarpatetraene-3,12-diol C18H22O3 286.156894 NA MeJP NA NA +MJ023516 3,4,4'-Trihydroxylignan C18H22O3 286.156894 NA MeJP NA NA +MJ023517 3,6-Dihydroxy-2-(1,3,5-undecatrienyl)benzaldehyde C18H22O3 286.156894 NA MeJP NA NA +MJ023518 3,6-Dihydroxyestra-1,3,5(10)-trien-17-one C18H22O3 286.156894 NA MeJP NA NA +MJ023519 3-Hydroxy-7,9,15-heptadecatriene-11,13-diynoic acid, Me ester C18H22O3 286.156894 NA MeJP NA NA +MJ023520 4-(3,7-Dimethyl-2,6-octadienyl)-5-hydroxy-2(3H)-benzofuranone C18H22O3 286.156894 NA MeJP NA NA +MJ023521 5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran C18H22O3 286.156894 NA MeJP NA NA +MJ023522 6-Acetyl-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran; ?1',2'-Isomer, 3'-hydroxy C18H22O3 286.156894 NA MeJP NA NA +MJ023523 Arohynapene A C18H22O3 286.156894 NA MeJP NA NA +MJ023524 Cacalol; Propanoyl C18H22O3 286.156894 NA MeJP NA NA +MJ023525 Cryptoacetalide C18H22O3 286.156894 NA MeJP NA NA +MJ023526 Cyclopiloselloidone C18H22O3 286.156894 NA MeJP NA NA +MJ023527 Gaultheronoterpene C18H22O3 286.156894 NA MeJP NA NA +MJ023528 Methallenestril C18H22O3 286.156894 NA MeJP NA NA +MJ023529 Pterosin B, O-(Z-2-Butenoyl) C18H22O3 286.156894 NA MeJP NA NA +MJ023530 Tanzawaic acid C; 1-Deoxy, 6-hydroxy, 1,2,4a,8a-tetradehydro C18H22O3 286.156894 NA MeJP NA NA +MJ023531 Wigandol C18H22O3 286.156894 NA MeJP NA NA +MJ023532 16alpha-Hydroxyestrone C18H22O3 286.156894 NA MeJP NA NA +MJ023533 2-Hydroxyestrone C18H22O3 286.156894 NA MeJP NA NA +C05298 2-Hydroxyestrone C18H22O3 286.1569 NA KEGG NA NA +C05300 16alpha-Hydroxyestrone C18H22O3 286.1569 NA KEGG NA NA +C07621 Methallenestril C18H22O3 286.1569 NA KEGG NA NA +C14383 16-Ketoestradiol C18H22O3 286.1569 NA KEGG NA NA +C14496 Estrololactone C18H22O3 286.1569 NA KEGG NA NA +C12261 2,3,4-Trioxycyclopentanone C14H26O4Si 286.16 NA KEGG NA NA +MJ023534 1-Mercapto-5-undecen-3-ol; O,S-Di-Ac C15H26O3S 286.160265 NA MeJP NA NA +MJ023535 1-Aminopyrrolizidine, N1-(4-Methoxy-E-cinnamoyl) C17H22N2O2 286.168127 NA MeJP NA NA +MJ023536 1-Aminopyrrolizidine, N1-(4-Methoxy-Z-cinnamoyl) C17H22N2O2 286.168127 NA MeJP NA NA +MJ023537 4-(3-Methyl-2-butenyl)tryptophan, N?-Me C17H22N2O2 286.168127 NA MeJP NA NA +MJ023538 4-Amino-1-naphthalenecarboxylic acid; 2-(Diethylaminoethyl) ester C17H22N2O2 286.168127 NA MeJP NA NA +MJ023539 Antibiotic FL 657C C17H22N2O2 286.168127 NA MeJP NA NA +MJ023540 Fenpipalone C17H22N2O2 286.168127 NA MeJP NA NA +MJ023541 Huperzinine; 16-Hydroxy C17H22N2O2 286.168127 NA MeJP NA NA +MJ023542 N-[(2,3,4,9-Tetrahydro-6-methoxy-9-methyl-1H-carbazol-4-yl)methyl]acetamide C17H22N2O2 286.168127 NA MeJP NA NA +MJ023543 Piriferine C17H22N2O2 286.168127 NA MeJP NA NA +MJ023544 Pseudophrynaminol, 4'-Carboxylic acid, Me ester C17H22N2O2 286.168127 NA MeJP NA NA +MJ023545 Linogliride C16H22N4O 286.179361 NA MeJP NA NA +CJpos0687 Stachydrine (Proline betaine) [(2M+H)]+ C14H27N2O4 286.188675 C18rt(min)=0.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0687 Stachydrine (Proline betaine) [(2M+H)]+ C14H27N2O4 286.188675 C18rt(min)=0.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +C11333 N-Acetyl-leucyl-leucine C14H26N2O4 286.1893 NA KEGG NA NA +C11334 Gentamicin sulfate C19H37N5O7 286.1893 NA KEGG NA NA +HMDB00053 Androstenedione C19H26O2 286.193268 NA HMDB2010 NA NA +HMDB00053 Androstenedione C19H26O2 286.19327 http://www.hmdb.ca/metabolites/HMDB00053 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00053 Androstenedione C19H26O2 286.19327 http://www.hmdb.ca/metabolites/HMDB00053 HMDB NA NA +HMDB00053 Androstenedione C19H26O2 286.19327 http://www.hmdb.ca/metabolites/HMDB00053 PFEM_hmdb_metabocards_blood NA blood +HMDB00053 Androstenedione C19H26O2 286.19327 HMDB00053 PFEM_hmdb_metabocards_official NA NA +EUR097 Androstenedione C19H26O2 286.19328 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR097 Androstenedione C19H26O2 286.19328 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR097 Androstenedione C19H26O2 286.19328 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR097 Androstenedione C19H26O2 286.19328 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR097 Androstenedione C19H26O2 286.19328 Wishlist HMDB NA NA +EUR097 Androstenedione C19H26O2 286.19328 Wishlist Inhouse_PFEM NA NA +MJ023546 11-Hydroxy-20-nor-8,15-isopimaradien-7-one; 11?-form, 11-Ketone C19H26O2 286.19328 NA MeJP NA NA +MJ023547 12-Hydroxy-13-methyl-8,11,13-podocarpatrien-7-one; Me ether C19H26O2 286.19328 NA MeJP NA NA +MJ023548 17-Hydroxyandrosta-1,4-dien-3-one; 17?-form C19H26O2 286.19328 NA MeJP NA NA +MJ023549 19-Nor-1,3,5(10),15-rosatetraene-2,18-diol; ent-form C19H26O2 286.19328 NA MeJP NA NA +MJ023550 2,9-Heptadecadiene-4,6-diyn-1-ol, Ac C19H26O2 286.19328 NA MeJP NA NA +MJ023551 3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-O-(3,7-Dimethyl-2,6-octadienyl)(E-) C19H26O2 286.19328 NA MeJP NA NA +MJ023552 4-Hydroxy-18-nor-8,11,13-abietatrien-7-one C19H26O2 286.19328 NA MeJP NA NA +MJ023553 8,15-Heptadecadiene-11,13-diyn-1-ol; Ac C19H26O2 286.19328 NA MeJP NA NA +MJ023554 ?1-Tetrahydrocannabidivarol C19H26O2 286.19328 NA MeJP NA NA +MJ023555 ?7-Isotetrahydrocannabivarin C19H26O2 286.19328 NA MeJP NA NA +MJ023556 Acalycixeniolide B C19H26O2 286.19328 NA MeJP NA NA +MJ023557 Androst-4-ene-3,17-dione C19H26O2 286.19328 NA MeJP NA NA +MJ023558 Cannabicyclovarin C19H26O2 286.19328 NA MeJP NA NA +MJ023559 Cannabidivarin C19H26O2 286.19328 NA MeJP NA NA +MJ023560 Cannabivarichromene C19H26O2 286.19328 NA MeJP NA NA +MJ023561 Norbrachycoumarin C19H26O2 286.19328 NA MeJP NA NA +MJ023562 Androst-4-ene-3,17-dione C19H26O2 286.19328 NA MeJP NA NA +MetaCyc02551 4-androstene-3,17-dione [] C19H26O2 286.19328 63-05-8 metacyc NA NA +MetaCyc02552 androst-4-ene-3,17-dione [androstenedione;] C19H26O2 286.19328 NA metacyc NA NA +EUR097 Androstenedione C19H26O2 286.19328 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR097 Androstenedione C19H26O2 286.19328 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR097 Androstenedione C19H26O2 286.1933 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR097 Androstenedione C19H26O2 286.1933 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR097 Androstenedione C19H26O2 286.1933 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR097 Androstenedione C19H26O2 286.1933 Wishlist Inhousejuil11 NA NA +C00280 Androstenedione C19H26O2 286.1933 NA KEGG NA NA +C14483 17alpha-Methylestradiol C19H26O2 286.1933 NA KEGG NA NA +C14502 Boldenone C19H26O2 286.1933 NA KEGG NA NA +C15293 17beta-Hydroxyandrosta-4,9(11)-dien-3-one C19H26O2 286.1933 NA KEGG NA NA +C15315 1-Methylestra-1,3,5(10)-triene-3,17beta-diol C19H26O2 286.1933 NA KEGG NA NA +EUR395 Androstenedione F1 F1 286.194775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR395 Androstenedione F1 NA 286.194775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR395 Androstenedione F1 F1 286.194775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR395 Androstenedione F1 NA 286.194775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR395 Androstenedione F1 F1 286.194775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR395 Androstenedione F1 NA 286.194775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR395 Androstenedione F1 F1 286.194775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR395 Androstenedione F1 F1 286.194775 standards wishlist analysés sur QTOF HMDB NA NA +EUR395 Androstenedione F1 F1 286.194775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR395 Androstenedione F1 NA 286.194775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR395 Androstenedione F1 F1 286.194775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR395 Androstenedione F1 F1 286.194775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0688 Octenoylcarnitine [(M+H)]+ (13C) C1413CH28NO4 286.196775 C18rt(min)=7.3 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0688 Octenoylcarnitine [(M+H)]+ (13C) C1413CH28NO4 286.196775 C18rt(min)=7.3 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ023563 5-(12-Cyano-6-dodecenyl)-2-pyrrolecarboxaldehyde C18H26N2O 286.204513 NA MeJP NA NA +MJ023564 Benzastatin A; Demethoxy C18H26N2O 286.204513 NA MeJP NA NA +MJ023565 Fastigiatine; N-De-Me C18H26N2O 286.204513 NA MeJP NA NA +C14987 2,3-Dihydroxycyclopentaneundecanoic acid C16H30O4 286.2144 NA KEGG NA NA +MJ023566 10,16-Dihydroxyhexadecanoic acid; 10-Ketone C16H30O4 286.214409 NA MeJP NA NA +MJ023567 4,6-Diethyl-3,6-dihydroxydecanoic acid; 4,11-Didehydro, Et ester C16H30O4 286.214409 NA MeJP NA NA +MJ023568 Hexadecanedioic acid C16H30O4 286.214409 NA MeJP NA NA +MJ023569 Tetrahydro-5-(1-hydroxyheptyl)heptanoic acid C16H30O4 286.214409 NA MeJP NA NA +HMDB00672 Hexadecanedioic acid C16H30O4 286.214417 NA HMDB2010 NA NA +HMDB00672 Hexadecanedioic acid C16H30O4 286.21442 http://www.hmdb.ca/metabolites/HMDB00672 HMDB NA NA +HMDB00672 Hexadecanedioic acid C16H30O4 286.21442 HMDB00672 PFEM_hmdb_metabocards_official NA NA +EUR085 Retinol C20H30O 286.229665 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR085 Retinol C20H30O 286.229665 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR085 Retinol C20H30O 286.229665 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR085 Retinol C20H30O 286.229665 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR085 Retinol C20H30O 286.229665 Wishlist HMDB NA NA +EUR085 Retinol C20H30O 286.229665 Wishlist Inhouse_PFEM NA NA +MJ023570 1(10),15-Rosadien-2-one C20H30O 286.229665 NA MeJP NA NA +MJ023571 1(15),7,9-Dolastatrien-14-ol C20H30O 286.229665 NA MeJP NA NA +MJ023572 1(15),8,13-Dolastatrien-4-ol C20H30O 286.229665 NA MeJP NA NA +MJ023573 1,3,7,11-Cembratetraen-20-oic acid, 20-Aldehyde C20H30O 286.229665 NA MeJP NA NA +MJ023574 12,15-Epoxy-8(17),12,14-labdatriene; ent-form C20H30O 286.229665 NA MeJP NA NA +MJ023575 13(15),16,18-Sphenolobatrien-4-one C20H30O 286.229665 NA MeJP NA NA +MJ023576 13(16),14-Spongiadiene C20H30O 286.229665 NA MeJP NA NA +MJ023577 13,17-Epoxy-5,7,14-labdatriene C20H30O 286.229665 NA MeJP NA NA +MJ023578 15,16-Epoxy-3,13(16),14-clerodatriene C20H30O 286.229665 NA MeJP NA NA +MJ023579 15,16-Epoxy-7,13(16),14-labdatriene; ent-form C20H30O 286.229665 NA MeJP NA NA +MJ023580 15,16-Epoxy-8(17),13(16),14-labdatriene; ent-form C20H30O 286.229665 NA MeJP NA NA +MJ023581 15,16-Epoxy-9(11)-parguerene C20H30O 286.229665 NA MeJP NA NA +MJ023582 15-Beyeren-1-ol, 1-Ketone C20H30O 286.229665 NA MeJP NA NA +MJ023583 15-Beyeren-19-ol; ent-form, Aldehyde C20H30O 286.229665 NA MeJP NA NA +MJ023584 15-Beyeren-3-ol, 3-Ketone C20H30O 286.229665 NA MeJP NA NA +MJ023585 15-Beyeren-7-one; ent-form C20H30O 286.229665 NA MeJP NA NA +MJ023586 15-Kauren-19-al; ent-form C20H30O 286.229665 NA MeJP NA NA +MJ023587 16-Hellicallenal C20H30O 286.229665 NA MeJP NA NA +MJ023588 16-Kauren-15-ol, 15-Ketone C20H30O 286.229665 NA MeJP NA NA +MJ023589 16-Kauren-18-ol; ent-form, 18-Aldehyde C20H30O 286.229665 NA MeJP NA NA +MJ023590 16-Kauren-19-ol; ent-form, 19-Aldehyde C20H30O 286.229665 NA MeJP NA NA +MJ023591 18,19-Epoxy-1(19),2(18),6,13-xenicatetraene C20H30O 286.229665 NA MeJP NA NA +MJ023592 19-Trachylobanoic acid; ent-form, 19-Aldehyde C20H30O 286.229665 NA MeJP NA NA +MJ023593 2(4),13-Valparoladien-3-one C20H30O 286.229665 NA MeJP NA NA +MJ023594 2,12-Cyathadien-1-ol, Ketone C20H30O 286.229665 NA MeJP NA NA +MJ023595 2,16-Epoxy-1(15),3,7,11-cembratetraene C20H30O 286.229665 NA MeJP NA NA +MJ023596 2,4,7,11-Cembratetraen-10-ol, 10-Ketone C20H30O 286.229665 NA MeJP NA NA +MJ023597 2,7-Fusicoccadien-4-one C20H30O 286.229665 NA MeJP NA NA +MJ023598 3,13(16),14-Clerodatrien-17-ol; ent-form, 17-Aldehyde C20H30O 286.229665 NA MeJP NA NA +MJ023599 3,15-Valparadien-2-one C20H30O 286.229665 NA MeJP NA NA +MJ023600 3,4-Epoxy-13(15),16-sphenolobadien-18-ol, 18-Deoxy, 18,19-didehydro C20H30O 286.229665 NA MeJP NA NA +MJ023601 3,7,11,15(17)-Cembratetraen-16-ol, 16-Aldehyde C20H30O 286.229665 NA MeJP NA NA +MJ023602 3,7,11,15-Cembratetraen-13-ol, 13-Ketone C20H30O 286.229665 NA MeJP NA NA +MJ023603 3,7,11,15-Cembratetraen-14-ol, 14-Ketone C20H30O 286.229665 NA MeJP NA NA +MJ023604 3,7,12(18)-Dolabellatrien-13-one C20H30O 286.229665 NA MeJP NA NA +MJ023605 3,7,12(18)-Dolabellatrien-2-one C20H30O 286.229665 NA MeJP NA NA +MJ023606 3,7,18-Dolabellatrien-14-one C20H30O 286.229665 NA MeJP NA NA +MJ023607 4,8,18-Dolabellatrien-16-ol, 16-Aldehyde C20H30O 286.229665 NA MeJP NA NA +MJ023608 4-(3-Hydroxy-3-methyl-4-pentenyl)-1,1,5,6-tetramethyltetralin C20H30O 286.229665 NA MeJP NA NA +MJ023609 7,12,14-Labdatrien-17-ol, Aldehyde C20H30O 286.229665 NA MeJP NA NA +MJ023610 7,13-Abietadien-18-ol; 18-Aldehyde C20H30O 286.229665 NA MeJP NA NA +MJ023611 7,13-Abietadien-3-one C20H30O 286.229665 NA MeJP NA NA +MJ023612 7,15-Isopimaradien-18-ol; 18-Aldehyde C20H30O 286.229665 NA MeJP NA NA +MJ023613 8(14),15-Isopimaradien-18-ol; 18-Aldehyde C20H30O 286.229665 NA MeJP NA NA +MJ023614 8(14),15-Isopimaradien-3-ol, 3-Ketone C20H30O 286.229665 NA MeJP NA NA +MJ023615 8(14),15-Isopimaradien-7-ol; 7?-form, 7-Ketone C20H30O 286.229665 NA MeJP NA NA +MJ023616 8(14),15-Pimaradien-18-al C20H30O 286.229665 NA MeJP NA NA +MJ023617 8(17),12,14-Labdatrien-18-ol, 18-Aldehyde C20H30O 286.229665 NA MeJP NA NA +MJ023618 8(17),12,14-Labdatrien-3-ol, 3-Ketone C20H30O 286.229665 NA MeJP NA NA +MJ023619 8(17),13(16),14-Labdatrien-19-oic acid; 19-Aldehyde C20H30O 286.229665 NA MeJP NA NA +MJ023620 8(4?10)-Abeo-4,15,16-spatatrien-13-ol C20H30O 286.229665 NA MeJP NA NA +MJ023621 8,11,13-Abietatrien-12-ol; 5?-form C20H30O 286.229665 NA MeJP NA NA +MJ023622 8,11,13-Abietatrien-15-ol C20H30O 286.229665 NA MeJP NA NA +MJ023623 8,11,13-Abietatrien-18-ol C20H30O 286.229665 NA MeJP NA NA +MJ023624 8,11,13-Abietatrien-19-ol C20H30O 286.229665 NA MeJP NA NA +MJ023625 8,11,13-Abietatrien-2-ol; 2?-form C20H30O 286.229665 NA MeJP NA NA +MJ023626 8,11,13-Abietatrien-3-ol C20H30O 286.229665 NA MeJP NA NA +MJ023627 8,11,13-Abietatrien-6-ol C20H30O 286.229665 NA MeJP NA NA +MJ023628 8,11,13-Abietatrien-7-ol C20H30O 286.229665 NA MeJP NA NA +MJ023629 8,11,13-Cleistanthatrien-17-ol C20H30O 286.229665 NA MeJP NA NA +MJ023630 8,11,13-Cleistanthatrien-19-ol C20H30O 286.229665 NA MeJP NA NA +MJ023631 8,11,13-Cleistanthatrien-20-ol C20H30O 286.229665 NA MeJP NA NA +MJ023632 8,11,13-Cleistanthatrien-7-ol C20H30O 286.229665 NA MeJP NA NA +MJ023633 8,11,13-Icetexatriene-10,12-diol; 10?-form, 12-Deoxy C20H30O 286.229665 NA MeJP NA NA +MJ023634 8,11,13-Totaratrien-13-ol C20H30O 286.229665 NA MeJP NA NA +MJ023635 8,13-Abietadien-18-oic acid; 18-Aldehyde C20H30O 286.229665 NA MeJP NA NA +MJ023636 8,13-Abietadien-19-oic acid; 19-Aldehyde C20H30O 286.229665 NA MeJP NA NA +MJ023637 8,15-Isopimaradien-7-one C20H30O 286.229665 NA MeJP NA NA +MJ023638 9(11),16-Kauradien-12-ol C20H30O 286.229665 NA MeJP NA NA +MJ023639 9(11)-Pargueren-16-al; ent-form C20H30O 286.229665 NA MeJP NA NA +MJ023640 9,10-Epoxy-9,10-seco-8,11,13-abietatriene; 10?-form C20H30O 286.229665 NA MeJP NA NA +MJ023641 9,13-Epoxy-6,8(17),14-labdatriene C20H30O 286.229665 NA MeJP NA NA +MJ023642 Ambliofuran C20H30O 286.229665 NA MeJP NA NA +MJ023643 Ambliol A; 5-Deoxy, 5,18-didehydro C20H30O 286.229665 NA MeJP NA NA +MJ023644 Cacospongin A C20H30O 286.229665 NA MeJP NA NA +MJ023645 Dictyoxide A C20H30O 286.229665 NA MeJP NA NA +MJ023646 Fusoxysporone C20H30O 286.229665 NA MeJP NA NA +MJ023647 Mikanifuran C20H30O 286.229665 NA MeJP NA NA +MJ023648 Retinol C20H30O 286.229665 NA MeJP NA NA +MJ023649 Sempervirol C20H30O 286.229665 NA MeJP NA NA +MJ023650 Strobol; Aldehyde C20H30O 286.229665 NA MeJP NA NA +MJ023651 Tricyclodictyofuran A; 9-Deoxy C20H30O 286.229665 NA MeJP NA NA +MJ023652 Valparolone C20H30O 286.229665 NA MeJP NA NA +MJ023653 Vouacapane C20H30O 286.229665 NA MeJP NA NA +MJ023654 p-Menth-1-en-4-ol, (5-Isopropyl-2-methylphenyl) ether C20H30O 286.229665 NA MeJP NA NA +MJ023655 11-cis-Retinol C20H30O 286.229665 NA MeJP NA NA +MJ023656 Retinol C20H30O 286.229665 NA MeJP NA NA +EUR085 Retinol C20H30O 286.229665 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR085 Retinol C20H30O 286.229665 Wishlist PFEM_hmdb_metabocards_official NA NA +MetaCyc02553 retinol [trans-retinol;retinol;all-trans-Retinol;Vitamin A;Vitamin A1;] C20H30O1 286.229666 11103-57-4 metacyc NA NA +MetaCyc02554 ent-kaur-16-en-19-al [] C20H30O1 286.229666 NA metacyc NA NA +MetaCyc02555 11-cis-retinol [cis-retinol;] C20H30O1 286.229666 NA metacyc NA NA +HMDB00305 Vitamin A C20H30O 286.229675 NA HMDB2010 NA NA +HMDB06216 11-cis-Retinol C20H30O 286.229675 NA HMDB2010 NA NA +HMDB06217 9-cis-Retinol C20H30O 286.229675 NA HMDB2010 NA NA +HMDB06221 13-cis Retinol C20H30O 286.229675 NA HMDB2010 NA NA +HMDB00305 Vitamin A C20H30O 286.22968 http://www.hmdb.ca/metabolites/HMDB00305 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00305 Vitamin A C20H30O 286.22968 http://www.hmdb.ca/metabolites/HMDB00305 HMDB NA NA +HMDB06216 11-cis-Retinol C20H30O 286.22968 http://www.hmdb.ca/metabolites/HMDB06216 HMDB NA NA +HMDB06217 9-cis-retinol C20H30O 286.22968 http://www.hmdb.ca/metabolites/HMDB06217 HMDB NA NA +HMDB06221 13-cis Retinol C20H30O 286.22968 http://www.hmdb.ca/metabolites/HMDB06221 HMDB NA NA +HMDB00305 Vitamin A C20H30O 286.22968 http://www.hmdb.ca/metabolites/HMDB00305 PFEM_hmdb_metabocards_blood NA blood +HMDB00305 Vitamin A C20H30O 286.22968 HMDB00305 PFEM_hmdb_metabocards_official NA NA +HMDB06216 11-cis-Retinol C20H30O 286.22968 HMDB06216 PFEM_hmdb_metabocards_official NA NA +HMDB06217 9-cis-retinol C20H30O 286.22968 HMDB06217 PFEM_hmdb_metabocards_official NA NA +HMDB06221 13-cis Retinol C20H30O 286.22968 HMDB06221 PFEM_hmdb_metabocards_official NA NA +EUR085 Retinol C20H30O 286.2297 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR085 Retinol C20H30O 286.2297 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR085 Retinol C20H30O 286.2297 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR085 Retinol C20H30O 286.2297 Wishlist Inhousejuil11 NA NA +C00473 Retinol C20H30O 286.2297 NA KEGG NA NA +C00899 11-cis-Retinol C20H30O 286.2297 NA KEGG NA NA +C09092 Ferruginol C20H30O 286.2297 NA KEGG NA NA +C11873 Kaur-16-en-18-al C20H30O 286.2297 NA KEGG NA NA +C11885 Neoabietal C20H30O 286.2297 NA KEGG NA NA +C11886 Levopimarinal C20H30O 286.2297 NA KEGG NA NA +C11887 Abietal C20H30O 286.2297 NA KEGG NA NA +C16682 9-cis-Retinol C20H30O 286.2297 NA KEGG NA NA +C17276 Retinol-(cellular-retinol-binding-protein) C20H30O 286.2297 NA KEGG NA NA +HMDB02172 N1,N12-Diacetylspermine C14H30N4O2 286.236877 NA HMDB2010 NA NA +HMDB02172 N1,N12-Diacetylspermine C14H30N4O2 286.23688 http://www.hmdb.ca/metabolites/HMDB02172 HMDB NA NA +HMDB02172 N1,N12-Diacetylspermine C14H30N4O2 286.23688 HMDB02172 PFEM_hmdb_metabocards_official NA NA +C03413 N1,N12-Diacetylspermine C14H30N4O2 286.2369 NA KEGG NA NA +MJ023657 Theonelladine A; 11,12-Didehydro C19H30N2 286.240898 NA MeJP NA NA +PFEM073F1 Retinol F1 286.2489 NA Inhouse_original NA NA +MJ023658 14-Hydroxyhexadecanoic acid, Me ester C17H34O3 286.250794 NA MeJP NA NA +MJ023659 16-Heptadecene-1,2,4-triol C17H34O3 286.250794 NA MeJP NA NA +MJ023660 2-Hydroxyhexadecanoic acid, Me ether C17H34O3 286.250794 NA MeJP NA NA +C11849 3-Hydroxy-palmitic acid methyl ester C17H34O3 286.2508 NA KEGG NA NA +C13947 2-Methoxyhexadecanoic acid C17H34O3 286.2508 NA KEGG NA NA +MJ023661 Nitrosoxacin A C16H34N2O2 286.262028 NA MeJP NA NA +MJ023662 Nitrosoxacin B C16H34N2O2 286.262028 NA MeJP NA NA +MJ023663 1,6,9,12,15,18-Heneicosahexaene, 18,19-Dihydro C21H34 286.266051 NA MeJP NA NA +MJ023664 14-Methylene-1,3,5,10-prenylbisabolatetraene; 1,2-Dihydro C21H34 286.266051 NA MeJP NA NA +MJ023665 3,6,9,12,15-Heneicosapentaene C21H34 286.266051 NA MeJP NA NA +MJ023666 1,18-Octadecanediol C18H38O2 286.28718 NA MeJP NA NA +MJ023667 1,3-Octadecanediol C18H38O2 286.28718 NA MeJP NA NA +MJ023668 2,3-Octadecanediol C18H38O2 286.28718 NA MeJP NA NA +2877 opioid fragment of beta-lipotropin M-enkephalin YGGFM 286.6067 MH2+ Inhouse_peptide NA peptide +7853 NA YGGFM 286.6067 MH2+ Inhouse_peptide NA peptide +8123 secretory peptide hormone - (Met)enkephalin YGGFM 286.6067 MH2+ Inhouse_peptide NA peptide +7806 ACE inhibitor from caprine b-Lg LQKW 286.6575 MH2+ Inhouse_peptide NA peptide +2725 erythromycin inhibitor MILVV 286.6722 MH2+ Inhouse_peptide NA peptide +3608 NA RTAKV 286.6735 MH2+ Inhouse_peptide NA peptide +MJ023669 4,6-Dibromo-2-methyl-1H-indole C9H7Br2N 286.894524 NA MeJP NA NA +MJ023670 4-Amino-3-thiophenecarboxylic acid; N-(2,6-Dichlorophenyl) C11H7Cl2NO2S 286.957454 NA MeJP NA NA +MJ023671 Dichrostachinic acid C7H13NO7S2 287.013343 NA MeJP NA NA +MJ023672 Pseudaxinyssa Alkaloid C9H14BrN5O 287.038172 NA MeJP NA NA +C12106 AminoDAHP C7H14NO9P 287.0406 NA KEGG NA NA +FL7AACNS0001 Cyanidin C15H11O6 287.05556 528-58-5 knapsack NA NA +FL7AEANS0001 Aurantinidin;6-Hydroxypelargonidin C15H11O6 287.05556 25041-66-1 knapsack NA NA +FL7DAGNS0001 Tricetinidin C15H11O6 287.05556 65618-21-5 knapsack NA NA +MJ023673 Cyanidin C15H11O6 287.055563 NA MeJP NA NA +MetaCyc02556 cyanidin [] C15H11O6 287.055563 NA metacyc NA NA +HMDB02708 Cyanidin C15H11O6 287.05557 http://www.hmdb.ca/metabolites/HMDB02708 PFEM_hmdb_metabocards_urine NA urine +HMDB02708 Cyanidin C15H11O6 287.05557 http://www.hmdb.ca/metabolites/HMDB02708 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02708 Cyanidin C15H11O6 287.05557 http://www.hmdb.ca/metabolites/HMDB02708 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02708 Cyanidin C15H11O6 287.05557 http://www.hmdb.ca/metabolites/HMDB02708 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02708 Cyanidin C15H11O6 287.05557 http://www.hmdb.ca/metabolites/HMDB02708 HMDB NA NA +HMDB02708 Cyanidin C15H11O6 287.05557 http://www.hmdb.ca/metabolites/HMDB02708 PFEM_hmdb_metabocards_blood NA blood +HMDB02708 Cyanidin C15H11O6 287.05557 HMDB02708 PFEM_hmdb_metabocards_official NA NA +C05905 Cyanidin C15H11O6 287.0556 NA KEGG NA NA +C08575 Aurantinidin C15H11O6 287.0556 NA KEGG NA NA +MJ023674 Indoleglycerol phosphate C11H14NO6P 287.055873 NA MeJP NA NA +MetaCyc02557 indole-3-glycerol-phosphate [C1-(3-Indolyl)-glycerol 3-phosphate;indole-3-glycerol-P;1-(indol-3-yl)glycerol-3-P;1-(indol-3-yl)glycerol-3-phosphate;indoleglycerol phosphate;] C11H14N1O6P1 287.055874 NA metacyc NA NA +C03506 Indoleglycerol phosphate C11H14NO6P 287.0559 NA KEGG NA NA +MJ023675 Nifurtimox C10H13N3O5S 287.057591 NA MeJP NA NA +C08002 Nifurtimox C10H13N3O5S 287.0576 NA KEGG NA NA +C08004 Transferred to D00834 C10H13N3O5S 287.0576 NA KEGG NA NA +MJ023676 Incadronic acid C8H19NO6P2 287.06876 NA MeJP NA NA +MJ023677 Chlorproguanil C11H15Cl2N5 287.07045 NA MeJP NA NA +C15270 Cycloguanil hydrochloride C11H14ClN5 287.0705 NA KEGG NA NA +C13749 Sulmazole C14H13N3O2S 287.0728 NA KEGG NA NA +MJ023678 Isomazole C14H13N3O2S 287.072847 NA MeJP NA NA +MJ023679 Sulmazole C14H13N3O2S 287.072847 NA MeJP NA NA +MJ023680 Cytosine; 1H-form, 1-N-?-D-Glucuronopyranosyl C10H13N3O7 287.075349 NA MeJP NA NA +MJ023681 Nikkomycin Cx C10H13N3O7 287.075349 NA MeJP NA NA +MJ023682 Tenofovir C9H14N5O4P 287.07834 NA MeJP NA NA +MJ023683 1,2,4-Trimethoxy-3H-phenoxazin-3-one C15H13NO5 287.079372 NA MeJP NA NA +MJ023684 1,3,4,5-Tetrahydroxyacridone; 4,10-O,N-Di-Me C15H13NO5 287.079372 NA MeJP NA NA +MJ023685 1,3,5,6-Tetrahydroxyacridone; 3,5-O,O-Di-Me C15H13NO5 287.079372 NA MeJP NA NA +MJ023686 1,3,5,6-Tetrahydroxyacridone; 5,10-O,N-Di-Me C15H13NO5 287.079372 NA MeJP NA NA +MJ023687 2-Benzamidobenzoic acid; 2',4-Dihydroxy, Me ester C15H13NO5 287.079372 NA MeJP NA NA +MJ023688 2-Benzamidobenzoic acid; 2'-Hydroxy, 4-methoxy C15H13NO5 287.079372 NA MeJP NA NA +MJ023689 Michigazone C15H13NO5 287.079372 NA MeJP NA NA +MJ023690 Dazadrol C15H14ClN3O 287.082539 NA MeJP NA NA +MJ023691 Clitocine C9H13N5O6 287.086583 NA MeJP NA NA +FL7DEANS0002 Carajuron;6,7,4'-Trihydroxy-5-methoxy-flavylium C16H15O5 287.09194 - knapsack NA NA +CJpos0689 Phenylacetylglutamine [(M+Na)]+ (13C) C1213CH16N2NaO4 287.095775 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0689 Phenylacetylglutamine [(M+Na)]+ (13C) C1213CH16N2NaO4 287.095775 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ023692 Mezilamine C11H18ClN5S 287.097143 NA MeJP NA NA +CJneg0499 Pantothenic acid [(M-H)+(HCOONa)]- C10H17NNaO7 287.098625 C18rt(min)=4.77 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0499 Pantothenic acid [(M-H)+(HCOONa)]- C10H17NNaO7 287.098625 C18rt(min)=4.77 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C08344 Volkenin C12H17NO7 287.1005 NA KEGG NA NA +MJ023693 1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid, Nitrile, 1-O-?-D-glucopyranoside C12H17NO7 287.100501 NA MeJP NA NA +MJ023694 3,4-Dihydroxy-2-methylpyridine; O3-?-D-Glucopyranoside C12H17NO7 287.100501 NA MeJP NA NA +MJ023695 Mycalisine A C13H13N5O3 287.101839 NA MeJP NA NA +MJ023696 Nauclefine C18H13N3O 287.105862 NA MeJP NA NA +MJ023697 Rutaecarpine C18H13N3O 287.105862 NA MeJP NA NA +C09238 Rutecarpine C18H13N3O 287.1059 NA KEGG NA NA +MJ023698 8-Chloro-2,3,4,5-tetrahydro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol C17H18ClNO 287.107691 NA MeJP NA NA +C17365 Clavamycin E C11H17N3O6 287.1117 NA KEGG NA NA +HMDB02089 n-Ribosylhistidine C11H17N3O6 287.11172 http://www.hmdb.ca/metabolites/HMDB02089 HMDB NA NA +HMDB02089 n-Ribosylhistidine C11H17N3O6 287.11172 HMDB02089 PFEM_hmdb_metabocards_official NA NA +HMDB02089 N-Ribosylhistidine C11H17N3O6 287.111725 NA HMDB2010 NA NA +HMDB02089 N-Ribosylhistidine C11H17N3O6 287.11173 NA ;SYN:beta-2-Amino-4-methylvaleric acid; L-beta-Leucine; beta-LeucineH2Blood Inhouse_peptide NA peptide +MJ023699 Clavamycin E C11H17N3O6 287.111735 NA MeJP NA NA +PJ000173 GPD C11H17N3O6 287.1118 NA PeJP NA NA +MJ023700 (S)-Norlaudanosoline C16H17NO4 287.115758 NA MeJP NA NA +MJ023701 2-(4-Methoxyphenyl)ethylamine; N-(2,6-Dihydroxybenzoyl) C16H17NO4 287.115758 NA MeJP NA NA +MJ023702 ?-Erythroidine; 8-Oxo C16H17NO4 287.115758 NA MeJP NA NA +MJ023703 Carbazomycin G; 6-Methoxy C16H17NO4 287.115758 NA MeJP NA NA +MJ023704 Coranicine C16H17NO4 287.115758 NA MeJP NA NA +MJ023705 Crinine, 6-Hydroxy C16H17NO4 287.115758 NA MeJP NA NA +MJ023706 Daphnarcine C16H17NO4 287.115758 NA MeJP NA NA +MJ023707 Flexinine C16H17NO4 287.115758 NA MeJP NA NA +MJ023708 Haemanthamine, 12-Epimer, O-de-Me C16H17NO4 287.115758 NA MeJP NA NA +MJ023709 Haemanthamine, O-De-Me C16H17NO4 287.115758 NA MeJP NA NA +MJ023710 Hamayne C16H17NO4 287.115758 NA MeJP NA NA +MJ023711 Lunine C16H17NO4 287.115758 NA MeJP NA NA +MJ023712 Lycorine C16H17NO4 287.115758 NA MeJP NA NA +MJ023713 Obesine C16H17NO4 287.115758 NA MeJP NA NA +MJ023714 Pancracine C16H17NO4 287.115758 NA MeJP NA NA +MJ023715 Pancratium Base 6 C16H17NO4 287.115758 NA MeJP NA NA +MJ023716 Pipermethystine C16H17NO4 287.115758 NA MeJP NA NA +MJ023717 Piperpense C16H17NO4 287.115758 NA MeJP NA NA +MJ023718 Piplartine; 3'-Demethoxy C16H17NO4 287.115758 NA MeJP NA NA +MJ023719 Poetaricine C16H17NO4 287.115758 NA MeJP NA NA +MJ023720 Pyrophen C16H17NO4 287.115758 NA MeJP NA NA +MJ023721 Rhodophiala Base VI C16H17NO4 287.115758 NA MeJP NA NA +MJ023722 Rhodophiala Base XIII C16H17NO4 287.115758 NA MeJP NA NA +MJ023723 Roxiamine C C16H17NO4 287.115758 NA MeJP NA NA +MJ023724 Schumagnine; N-Me C16H17NO4 287.115758 NA MeJP NA NA +MJ023725 ?-Erythroidine; 8-Oxo C16H17NO4 287.115758 NA MeJP NA NA +MetaCyc02558 S-norlaudanosoline [(S)-tetrahydropapaveroline;] C16H17N1O4 287.115758 NA metacyc NA NA +C02916 (S)-Norlaudanosoline C16H17NO4 287.1158 NA KEGG NA NA +C06350 (R,S)-Norlaudanosoline C16H17NO4 287.1158 NA KEGG NA NA +C06351 (R)-Norlaudanosoline C16H17NO4 287.1158 NA KEGG NA NA +C08519 Brunsvigine C16H17NO4 287.1158 NA KEGG NA NA +C08532 Lycorine C16H17NO4 287.1158 NA KEGG NA NA +C12164 Hamayne C16H17NO4 287.1158 NA KEGG NA NA +C12185 Nangustine C16H17NO4 287.1158 NA KEGG NA NA +C12186 Pancracine C16H17NO4 287.1158 NA KEGG NA NA +C12194 11-Hydroxyvittatine C16H17NO4 287.1158 NA KEGG NA NA +MJ023726 Cyclo(alanyltryptophyl), 4'-Methoxy C15H17N3O3 287.126991 NA MeJP NA NA +MJ023727 Gabazine C15H17N3O3 287.126991 NA MeJP NA NA +MJ023728 N?-Cinnamoylhistamine; (E)-1H-form, 4''-Hydroxy, 3''-methoxy C15H17N3O3 287.126991 NA MeJP NA NA +C13796 SR95531 C15H17N3O3 287.127 NA KEGG NA NA +2637 synthetic fr, of human beta-CN (42-46) ACE inhibitor PSFQP 287.131 MH2+ Inhouse_peptide NA peptide +MJ023729 3-Methoxy-2-methyl-1-phenyl-9H-carbazole C20H17NO 287.131014 NA MeJP NA NA +MJ023730 Thiotomoxetine C17H21NOS 287.134384 NA MeJP NA NA +3406 ACE inhibitor TAP 287.136 ACE inhibitor Inhouse_peptide NA peptide +MJ023731 Naufoline C19H17N3 287.142247 NA MeJP NA NA +MJ023732 4,5,6,7-Tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione C16H21N3S 287.145618 NA MeJP NA NA +C11329 N-Acetyl-ala-ala-ala-methylester C12H21N3O5 287.1481 NA KEGG NA NA +PJ000174 APT C12H21N3O5 287.1481 NA PeJP NA NA +C07239 Ritodrine C17H21NO3 287.1521 NA KEGG NA NA +C08526 Galanthamine C17H21NO3 287.1521 NA KEGG NA NA +C09223 Mesembrenone C17H21NO3 287.1521 NA KEGG NA NA +C11782 Dihydromorphine C17H21NO3 287.1521 NA KEGG NA NA +C12195 Zephyramine C17H21NO3 287.1521 NA KEGG NA NA +MJ023733 1-Hydroxymethylpyrrolizidine, O-(p-Hydroxycinnamoyl) C17H21NO3 287.152143 NA MeJP NA NA +MJ023734 1-Piperoylpiperidine, 4,5-Dihydro C17H21NO3 287.152143 NA MeJP NA NA +MJ023735 2,4,8-Trihydroxy-3-prenylquinoline; NH-form, O4,O8,N-Tri-Me C17H21NO3 287.152143 NA MeJP NA NA +MJ023736 2,4,8-Trihydroxy-3-prenylquinoline; NH-form, O4-Et, N-Me C17H21NO3 287.152143 NA MeJP NA NA +MJ023737 2-Hydroxy-1-(1H-indol-3-yl)-4-methyl-3-hexanone; O-Ac C17H21NO3 287.152143 NA MeJP NA NA +MJ023738 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Cinnamoyl C17H21NO3 287.152143 NA MeJP NA NA +MJ023739 ?7-Mesembrenone C17H21NO3 287.152143 NA MeJP NA NA +MJ023740 Antibiotic FL 657B C17H21NO3 287.152143 NA MeJP NA NA +MJ023741 Belladine; 3',4''-Di-O-de-Me C17H21NO3 287.152143 NA MeJP NA NA +MJ023742 Belladine; O4'',N-Di-de-Me C17H21NO3 287.152143 NA MeJP NA NA +MJ023743 Bodamine C17H21NO3 287.152143 NA MeJP NA NA +MJ023744 Chlidanthine C17H21NO3 287.152143 NA MeJP NA NA +MJ023745 Cocculitine; O15-De-Me C17H21NO3 287.152143 NA MeJP NA NA +MJ023746 Coumaperine; 3'-Methoxy C17H21NO3 287.152143 NA MeJP NA NA +MJ023747 Dihydromorphine C17H21NO3 287.152143 NA MeJP NA NA +MJ023748 Epigalanthamine C17H21NO3 287.152143 NA MeJP NA NA +MJ023749 Etodolac C17H21NO3 287.152143 NA MeJP NA NA +MJ023750 Galanthamine C17H21NO3 287.152143 NA MeJP NA NA +MJ023751 Jaculadine C17H21NO3 287.152143 NA MeJP NA NA +MJ023752 Lauformine C17H21NO3 287.152143 NA MeJP NA NA +MJ023753 Litsericine C17H21NO3 287.152143 NA MeJP NA NA +MJ023754 Maritidine C17H21NO3 287.152143 NA MeJP NA NA +MJ023755 Mesembrenone C17H21NO3 287.152143 NA MeJP NA NA +MJ023756 Pluviine C17H21NO3 287.152143 NA MeJP NA NA +MJ023757 Ritodrine C17H21NO3 287.152143 NA MeJP NA NA +MJ023758 Robecine C17H21NO3 287.152143 NA MeJP NA NA +MJ023759 Solanapyrone B; 1''-Aldehyde, 4'-demethoxy, 4'-amino C17H21NO3 287.152143 NA MeJP NA NA +MJ023760 Trichostatic acid C17H21NO3 287.152143 NA MeJP NA NA +MJ023761 Balfourodinium, 1'-Deoxy C17H22NO3(+) 287.152143 NA MeJP NA NA +MJ023762 4-[3-(1,1-Dimethylethyl)amino]-2-hydroxypropoxy-1H-indole-2-carbonitrile C16H21N3O2 287.163376 NA MeJP NA NA +MJ023763 Cytisine, N-(2-Oxo-1-pyrrolidinylmethyl) C16H21N3O2 287.163376 NA MeJP NA NA +MJ023764 Indolactam V, N-De-Me C16H21N3O2 287.163376 NA MeJP NA NA +MJ023765 Zolmitriptan C16H21N3O2 287.163376 NA MeJP NA NA +C07218 Zolmitriptan C16H21N3O2 287.1634 NA KEGG NA NA +MJ023766 Cyproheptadine C21H21N 287.167399 NA MeJP NA NA +MJ023767 Naftifine C21H21N 287.167399 NA MeJP NA NA +C06935 Cyproheptadine C21H21N 287.1674 NA KEGG NA NA +C06936 Transferred to D00288 C21H21N 287.1674 NA KEGG NA NA +C06938 Transferred to D00289 C21H21N 287.1674 NA KEGG NA NA +C08071 Naftifine C21H21N 287.1674 NA KEGG NA NA +7635 ACE inhibitor from k-CN (fr, 51-53) VAV 287.173 antioxidative Inhouse_peptide NA peptide +PJ000175 GVL C13H25N3O4 287.1845 NA PeJP NA NA +3257 beta-lactokinin RL 287.185 celiac toxic Inhouse_peptide NA peptide +3258 beta-lactokinin IR 287.185 celiac toxic Inhouse_peptide NA peptide +8215 Antioxidative peptide IR 287.185 NA ;SYN:2-Aminoacetate; 2-Aminoacetic acid; Aciport; Aminoacetate; Aminoacetic acid; Aminoethanoate; Aminoethanoic acid; Glicoamin; Glycocoll; Glycolixir; Glycosthene; Gyn-Hydralin; Padil; amino-Acetate; amino-Acetic acidH2Bile; Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +8246 renin inhibitor IR 287.185 NA ;SYN:(-)-Cystine; (R-(R*,R*))-3,3'-Dithiobis; 2-Amino-3-[(2-amino-2-carboxyethyl)dithio]propanoate; 2-Amino-3-[(2-amino-2-carboxyethyl)dithio]propanoic acid; 2-amino-3-(2-amino-2-carboxy-ethyl)disulfanyl-propanoate; 2-amino-3-(2-amino-2-carboxy-ethyl)disulfanyl-propanoic acid; 3,3'-Dithiobis; 3,3'-Dithiodialanine; 3,3'-dithiobis-L-Alanine; 3,3'-dithiobis[2-amino-[R-(R*,R*)]-Propanoate; 3,3'-dithiobis[2-amino-[R-(R*,R*)]-Propanoic acid; Bis(b-amino-b-carboxyethyl) disulfide; Cysteine disulfide; Cystin; Cystine; Cystine acid; D(+)-3,3'-Dithiobis(2-aminopropanoate; D(+)-3,3'-Dithiobis(2-aminopropanoic acid; Dicysteine; Gelucystine; L-(-)-Cystine; L-Cysteine disulfide; L-Cystin; Oxidized L-cysteine; [R-(R*,R*)]-3,3'-Dithiobis; b,b'-Diamino-b,b'-dicarboxydiethyl disulfide; b,b'-Dithiodialanine; beta,beta'-Dithiobisalanine; beta,beta'-Dithiodialanine; l-Cystine; Bis(b-amino-beta-carboxyethyl) disulfideH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +8247 CaMPDE inhibitor IR 287.185 NA ;SYN:(-)-Cystine; (R-(R*,R*))-3,3'-Dithiobis; 2-Amino-3-[(2-amino-2-carboxyethyl)dithio]propanoate; 2-Amino-3-[(2-amino-2-carboxyethyl)dithio]propanoic acid; 2-amino-3-(2-amino-2-carboxy-ethyl)disulfanyl-propanoate; 2-amino-3-(2-amino-2-carboxy-ethyl)disulfanyl-propanoic acid; 3,3'-Dithiobis; 3,3'-Dithiodialanine; 3,3'-dithiobis-L-Alanine; 3,3'-dithiobis[2-amino-[R-(R*,R*)]-Propanoate; 3,3'-dithiobis[2-amino-[R-(R*,R*)]-Propanoic acid; Bis(b-amino-b-carboxyethyl) disulfide; Cysteine disulfide; Cystin; Cystine; Cystine acid; D(+)-3,3'-Dithiobis(2-aminopropanoate; D(+)-3,3'-Dithiobis(2-aminopropanoic acid; Dicysteine; Gelucystine; L-(-)-Cystine; L-Cysteine disulfide; L-Cystin; Oxidized L-cysteine; [R-(R*,R*)]-3,3'-Dithiobis; b,b'-Diamino-b,b'-dicarboxydiethyl disulfide; b,b'-Dithiodialanine; beta,beta'-Dithiobisalanine; beta,beta'-Dithiodialanine; l-Cystine; Bis(b-amino-beta-carboxyethyl) disulfideH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +C10153 Isolobinine C18H25NO2 287.1885 NA KEGG NA NA +C15005 4-Aminoestra-1,3,5(10)-triene-3,17beta-diol C18H25NO2 287.1885 NA KEGG NA NA +C15006 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol C18H25NO2 287.1885 NA KEGG NA NA +MJ023768 (2,2-Dimethyl-2H-1-benzopyran-6-yl)ethylamine; N-(3-Methylbutanoyl) C18H25NO2 287.188529 NA MeJP NA NA +MJ023769 2-Heptyl-4-hydroxyquinoline; NH-form, 8-Methoxy, N-Me C18H25NO2 287.188529 NA MeJP NA NA +MJ023770 2-Methyl-3-heptyl-4-hydroxy-7-methoxyquinoline C18H25NO2 287.188529 NA MeJP NA NA +MJ023771 2-Nonyl-4(1H)-quinolinone; 9'-Hydroxy C18H25NO2 287.188529 NA MeJP NA NA +MJ023772 3,6-Bis(3-methyl-2-butenyl)-1H-indole; 2',3'-Dihydro, 2'S,3'-dihydroxy C18H25NO2 287.188529 NA MeJP NA NA +MJ023773 3-Methyl-2-[6-(3-methyl-2-butenyl)-1H-indol-3-yl]-1,3-butanediol C18H25NO2 287.188529 NA MeJP NA NA +MJ023774 4-(2-Aminoethyl)phenol; O-(3-Methyl-2-butenyl), N-tigloyl C18H25NO2 287.188529 NA MeJP NA NA +MJ023775 Allylprodine C18H25NO2 287.188529 NA MeJP NA NA +MJ023776 Crepidamine C18H25NO2 287.188529 NA MeJP NA NA +MJ023777 Leiocarpadiol C18H25NO2 287.188529 NA MeJP NA NA +MJ023778 Lobinanidine; 2'-Ketone C18H25NO2 287.188529 NA MeJP NA NA +MJ023779 Lobinanidine; Diastereoisomer, 2'-ketone C18H25NO2 287.188529 NA MeJP NA NA +MJ023780 Moxazocine C18H25NO2 287.188529 NA MeJP NA NA +MJ023781 N-(4-Hydroxyphenethyl)-2,4-decadienamide C18H25NO2 287.188529 NA MeJP NA NA +CJpos0690 Stachydrine (Proline betaine) [(2M+H)]+ (13C) C1313CH27N2O4 287.192075 C18rt(min)=0.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0690 Stachydrine (Proline betaine) [(2M+H)]+ (13C) C1313CH27N2O4 287.192075 C18rt(min)=0.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +PJ000176 LR C12H25N5O3 287.1957 NA PeJP NA NA +MJ023782 N2-Isoleucylarginine; L-L-form C12H25N5O3 287.195739 NA MeJP NA NA +MJ023783 N2-Leucylarginine; L-L-form C12H25N5O3 287.195739 NA MeJP NA NA +CJpos0691 Octenoylcarnitine [(M+H)]+ (18O) C15H28NO318O 287.197675 C18rt(min)=7.3 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0691 Octenoylcarnitine [(M+H)]+ (18O) C15H28NO318O 287.197675 C18rt(min)=7.3 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ023784 Plasmocid C17H25N3O 287.199762 NA MeJP NA NA +MJ023785 Proxazole C17H25N3O 287.199762 NA MeJP NA NA +CJpos0692 Octanoylcarnitine [(M+H)]+ C15H30NO4 287.209075 C18rt(min)=7.86 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0693 Octanoylcarnitine isomer [(M+H)]+ C15H30NO4 287.209075 C18rt(min)=7.5 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0692 Octanoylcarnitine [(M+H)]+ C15H30NO4 287.209075 C18rt(min)=7.86 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0693 Octanoylcarnitine isomer [(M+H)]+ C15H30NO4 287.209075 C18rt(min)=7.5 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB00791 L-Octanoylcarnitine C15H29NO4 287.209656 NA HMDB2010 NA NA +MJ023786 Dioxamate C15H29NO4 287.209658 NA MeJP NA NA +HMDB00791 L-Octanoylcarnitine C15H29NO4 287.20966 http://www.hmdb.ca/metabolites/HMDB00791 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00791 L-Octanoylcarnitine C15H29NO4 287.20966 http://www.hmdb.ca/metabolites/HMDB00791 HMDB NA NA +HMDB00791 L-Octanoylcarnitine C15H29NO4 287.20966 Short chain acyl carnitines ;SYN:2-[(2-carboxyacetyl)oxy]-4-hydroxy-N,N,N-trimethyl-4-oxo-1-Butanaminium inner salt; 3-carboxy-2-[(carboxyacetyl)oxy]-N,N,N-trimethyl-1-Propanaminium inner salt; Malonyl-L-carnitineH2Blood; Urine Inhouse_peptide NA peptide +HMDB00791 L-Octanoylcarnitine C15H29NO4 287.20966 http://www.hmdb.ca/metabolites/HMDB00791 PFEM_hmdb_metabocards_blood NA blood +HMDB00791 L-Octanoylcarnitine C15H29NO4 287.20966 HMDB00791 PFEM_hmdb_metabocards_official NA NA +C02838 L-Octanoylcarnitine C15H29NO4 287.2097 NA KEGG NA NA +C02839 L-Tyrosyl-tRNA(Tyr) C24H30N6O12PR 287.2097 NA KEGG NA NA +C02840 Linear DNA duplexes C24H30N6O12PR 287.2097 NA KEGG NA NA +C02843 Long-chain acyl-CoA C23H38N7O17P3S 287.2097 NA KEGG NA NA +C07378 Procyclidine C19H29NO 287.2249 NA KEGG NA NA +MJ023787 Cycrimine C19H29NO 287.224914 NA MeJP NA NA +MJ023788 Histrionicotoxins; Histrionicotoxin 287A C19H29NO 287.224914 NA MeJP NA NA +MJ023789 Histrionicotoxins; Histrionicotoxin 287B C19H29NO 287.224914 NA MeJP NA NA +MJ023790 Histrionicotoxins; Histrionicotoxin 287D C19H29NO 287.224914 NA MeJP NA NA +MJ023791 Procyclidine C19H29NO 287.224914 NA MeJP NA NA +MJ023792 Solaurethine C15H33N3O2 287.257277 NA MeJP NA NA +MJ023793 Irniine C20H33N 287.2613 NA MeJP NA NA +MJ023794 Canavalmine; N'-(4-Aminobutyl) C15H37N5 287.304896 NA MeJP NA NA +2704 erythromycin inhibitor MGQKL 287.6487 MH2+ Inhouse_peptide NA peptide +2666 synthetic fr, of human beta-CN (125-129) ACE inhibitor HLPLP 287.665 MH2+ Inhouse_peptide NA peptide +MJ023795 gamma-Hexachlorocyclohexane C6H6Cl6 287.860066 NA MeJP NA NA +MJ023796 1,2,3,4,5,6-Hexachlorocyclohexane C6H6Cl6 287.860066 NA MeJP NA NA +MetaCyc02559 γ-hexachlorocyclohexane [lindane;γ-BHC;γ-hexachlorocyclohexane;γ-HCH;] C6H6CL6 287.860066 NA metacyc NA NA +C06988 beta-1,2,3,4,5,6-Hexachlorocyclohexane C6H6Cl6 287.8601 NA KEGG NA NA +C07075 Lindane C6H6Cl6 287.8601 NA KEGG NA NA +C07076 Transferred to D00361 C6H6Cl6 287.8601 NA KEGG NA NA +C07077 Transferred to D00362 C6H6Cl6 287.8601 NA KEGG NA NA +C15214 alpha-Hexachlorocyclohexane C6H6Cl6 287.8601 NA KEGG NA NA +MJ023797 2,4,4'-Trichloro-2'-hydroxydiphenyl ether C12H7Cl3O2 287.951162 NA MeJP NA NA +C12059 Triclosan C12H7Cl3O2 287.9512 NA KEGG NA NA +C16193 1,6-Naphthalenedisulfonic acid C10H8O6S2 287.9762 NA KEGG NA NA +C16194 2,6-Naphthalenedisulfonic acid C10H8O6S2 287.9762 NA KEGG NA NA +MJ023798 Dodecafluoropentane C5F12 287.980838 NA MeJP NA NA +MJ023799 Perflisopent C5F12 287.980838 NA MeJP NA NA +MJ023800 Meridianin A; Deoxy, 5-bromo C12H9BrN4 288.001058 NA MeJP NA NA +MJ023801 Meridianin A; Deoxy, 6-bromo C12H9BrN4 288.001058 NA MeJP NA NA +MJ023802 Bromoaprobarbital C10H13BrN2O3 288.010954 NA MeJP NA NA +MJ023803 Amflutizole C11H7F3N2O2S 288.018032 NA MeJP NA NA +MJ023804 Polaprezinc C9H12N4O3Zn 288.020086 NA MeJP NA NA +C04691 2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate C7H13O10P 288.0246 NA KEGG NA NA +C04692 Peptide 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine C12H17N5O4R2 288.0246 NA KEGG NA NA +MJ023805 2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate C7H13O10P 288.024633 NA MeJP NA NA +MJ023806 3-Deoxy-arabino-heptulosonic acid, 7-Phosphate C7H13O10P 288.024633 NA MeJP NA NA +MetaCyc02560 3-deoxy-D-arabino-heptulosonate-7-phosphate [3-deoxy-D-arabino-heptulosonate-7-P;3-deoxy-arabino-heptulosonate 7-phosphate;3-deoxy-arabino-heptulosonate-7-P;2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-deoxy-D-arabino-hept-2-ulosonate-7-phosphate;3-deoxy-arabino-heptulonate 7-phosphate;] C7H13O10P1 288.024633 2627-73-8 metacyc NA NA +MJ023807 1,2,3,7,8-Pentahydroxyanthraquinone C14H8O7 288.027002 NA MeJP NA NA +MJ023808 Ventilone A C14H8O7 288.027002 NA MeJP NA NA +MJ023809 5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene; Ac C15H12O2S2 288.027871 NA MeJP NA NA +MJ023810 Ciprofibrate C13H14Cl2O3 288.031999 NA MeJP NA NA +MJ023811 Ritipenem C10H12N2O6S 288.041606 NA MeJP NA NA +MJ023812 1,3-Dithiol-2-ylidenepropanedioic acid; Diisopropyl ester C12H16O4S2 288.049 NA MeJP NA NA +C14304 Furamizole C12H8N4O5 288.0495 NA KEGG NA NA +HMDB00788 Orotidine C10H12N2O8 288.059357 NA HMDB2010 NA NA +HMDB00788 Orotidine C10H12N2O8 288.05936 http://www.hmdb.ca/metabolites/HMDB00788 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00788 Orotidine C10H12N2O8 288.05936 http://www.hmdb.ca/metabolites/HMDB00788 HMDB NA NA +HMDB00788 Orotidine C10H12N2O8 288.05936 http://www.hmdb.ca/metabolites/HMDB00788 PFEM_hmdb_metabocards_blood NA blood +HMDB00788 Orotidine C10H12N2O8 288.05936 HMDB00788 PFEM_hmdb_metabocards_official NA NA +MJ023813 Orotidine C10H12N2O8 288.059365 NA MeJP NA NA +FL1B1CNS0001 2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone C15H12O6 288.06338 89984-19-0 knapsack NA NA +FL1BAANS0001 Maesopsin C15H12O6 288.06338 5989-16-2 knapsack NA NA +FL1C1GNS0001 Robtein C15H12O6 288.06338 2679-65-4 knapsack NA NA +FL1C2CNS0001 Neoplathymenin C15H12O6 288.06338 526-12-5 knapsack NA NA +FL1C3CNS0001 Okanin C15H12O6 288.06338 484-76-4 knapsack NA NA +FL1CACNS0001 3,4,2',4',6'-Pentahydroxychalcone C15H12O6 288.06338 14917-41-0<BR>73692-51-0 knapsack NA NA +FL1CHXNS0001 3,4,2',4',alpha-Pentahydroxychalcone C15H12O6 288.06338 38681-20-8 knapsack NA NA +FL2F2CNS0001 Plathymenin C15H12O6 288.06338 492-12-6 knapsack NA NA +FL2F3CNS0001 Isookanin C15H12O6 288.06338 489-73-6 knapsack NA NA +FL2FA8NS0001 5,7,2',6'-Tetrahydroxyflavanone C15H12O6 288.06338 80604-16-6 knapsack NA NA +FL2FA8NS0003 5,7,2',5'-Tetrahydroxyflavanone C15H12O6 288.06338 74175-75-0 knapsack NA NA +FL2FACNS0001 Eriodictyol C15H12O6 288.06338 552-58-9 knapsack NA NA +FL2FALNS0004 Steppogenin C15H12O6 288.06338 56486-94-3 knapsack NA NA +FL2FEANS0001 Carthamidin C15H12O6 288.06338 479-54-9 knapsack NA NA +FL2FFANS0001 Isocarthamidin C15H12O6 288.06338 2569-76-8 knapsack NA NA +FL4D1CNS0001 (2R,3R)-fustin C15H12O6 288.06338 20725-03-5 knapsack NA NA +FL4D1CNS0002 (2S,3S)-Fustin C15H12O6 288.06338 17654-28-3 knapsack NA NA +FL4DA8NS0001 3,5,7,2'-Tetrahydroxyflavanone C15H12O6 288.06338 31477-95-9 knapsack NA NA +FL4DAANS0001 (+)-Dihydrokaempferol;(+)-Aromadendrin;Katuranin;(2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C15H12O6 288.06338 480-20-6 knapsack NA NA +FL63RNNS0001 Cyanomaclurin C15H12O6 288.06338 10020-68-5 knapsack NA NA +FL63RNNS0002 6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol C15H12O6 288.06338 119116-87-9 knapsack NA NA +FLIBALNS0002 (+-)-Dalbergioidin C15H12O6 288.06338 30368-42-4 knapsack NA NA +HMDB05810 Eriodictyol C15H12O6 288.063385 NA HMDB2010 NA NA +MJ023814 Dihydrokaempferol C15H12O6 288.063388 NA MeJP NA NA +MJ023815 Eriodictyol C15H12O6 288.063388 NA MeJP NA NA +MJ023816 1,2,3,5-Tetrahydroxyxanthone; 2,3-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023817 1,2,3,7-Tetrahydroxyxanthone; 2,3-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023818 1,2,3,7-Tetrahydroxyxanthone; 2,7-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023819 1,2,3,8-Tetrahydroxyxanthone; 1,2-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023820 1,2,3,8-Tetrahydroxyxanthone; 2,8-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023821 1,2,5,6-Tetrahydroxyxanthone; 1,5-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023822 1,2,5,6-Tetrahydroxyxanthone; 1,6-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023823 1,2,5,6-Tetrahydroxyxanthone; 5,6-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023824 1,2,6,8-Tetrahydroxyxanthone; 1,2-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023825 1,2,6,8-Tetrahydroxyxanthone; 1,6-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023826 1,2,6,8-Tetrahydroxyxanthone; 1,8-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023827 1,2,6,8-Tetrahydroxyxanthone; 2,6-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023828 1,2,6,8-Tetrahydroxyxanthone; 2,8-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023829 1,2,7,8-Tetrahydroxyxanthone; 1,8-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023830 1,2-Bis(2,4-dihydroxyphenyl)ethanedione; 4-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023831 1,3,4,5,8-Pentahydroxy-9H-fluoren-9-one; 1,4-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023832 1,3,4,5-Tetrahydroxyxanthone; 3,4-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023833 1,3,4,5-Tetrahydroxyxanthone; 3,5-Di Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023834 1,3,4,5-Tetrahydroxyxanthone; 4,5-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023835 1,3,4,6-Tetrahydroxyxanthone; 1,3-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023836 1,3,4,7-Tetrahydroxyxanthone; 3,4-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023837 1,3,4,7-Tetrahydroxyxanthone; 4,7-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023838 1,3,5,6-Tetrahydroxyxanthone; 1,3-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023839 1,3,5,6-Tetrahydroxyxanthone; 1,5-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023840 1,3,5,6-Tetrahydroxyxanthone; 3,5-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023841 1,3,5,6-Tetrahydroxyxanthone; 5,6-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023842 1,3,5,7-Tetrahydroxyxanthone; 3,5-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023843 1,3,5,7-Tetrahydroxyxanthone; 3,7-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023844 1,3,5,8-Tetrahydroxyxanthone; 1,3-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023845 1,3,5,8-Tetrahydroxyxanthone; 3,5-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023846 1,3,5,8-Tetrahydroxyxanthone; 3,8-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023847 1,3,5,8-Tetrahydroxyxanthone; 5,8-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023848 1,3,6,7-Tetrahydroxyxanthone; 1,3-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023849 1,3,6,7-Tetrahydroxyxanthone; 1,7-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023850 1,3,6,7-Tetrahydroxyxanthone; 3,6-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023851 1,3,6,7-Tetrahydroxyxanthone; 3,7-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023852 1,3,6,7-Tetrahydroxyxanthone; 6,7-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023853 1,3,6,8-Tetrahydroxyxanthone; 3,6-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023854 1,4,5,7-Tetrahydroxy-2-methylanthraquinone; 7,8-Dihydro C15H12O6 288.063388 NA MeJP NA NA +MJ023855 1,5,6,7-Tetrahydroxyxanthone; 5,7-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023856 1,5,6,7-Tetrahydroxyxanthone; 6,7-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023857 2',3,3',4,4'-Pentahydroxychalcone C15H12O6 288.063388 NA MeJP NA NA +MJ023858 2',3,4,4',5'-Pentahydroxychalcone C15H12O6 288.063388 NA MeJP NA NA +MJ023859 2',3,4,4',5-Pentahydroxychalcone C15H12O6 288.063388 NA MeJP NA NA +MJ023860 2',3,5,7-Tetrahydroxyflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023861 2',4',5',7-Tetrahydroxyisoflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023862 2',4',5,7-Tetrahydroxyflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023863 2',4',5,7-Tetrahydroxyisoflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023864 2',5,5',7-Tetrahydroxyflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023865 2',5,6',7-Tetrahydroxyflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023866 2,3,4,6-Tetrahydroxyxanthone; 3,6-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023867 2,3,4,7-Tetrahydroxyxanthone; 3,4-Di-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023868 2,4',5,7-Tetrahydroxyflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023869 2,4',5,7-Tetrahydroxyisoflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023870 2,6,7-Trihydroxy-9-methyl-4-dibenzofurancarboxylic acid; 7-Me ether C15H12O6 288.063388 NA MeJP NA NA +MJ023871 2-(2,6-Dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid C15H12O6 288.063388 NA MeJP NA NA +MJ023872 2-(3,4-Dihydroxybenzyl)-2,6-dihydroxy-3(2H)-benzofuranone C15H12O6 288.063388 NA MeJP NA NA +MJ023873 2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione; 7-Methoxy, 1'?-alcohol C15H12O6 288.063388 NA MeJP NA NA +MJ023874 3',4',5',7-Tetrahydroxyflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023875 3',4',5,7-Tetrahydroxyflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023876 3',4',6,7-Tetrahydroxyflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023877 3',4',7,8-Tetrahydroxyflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023878 3',5,5',8-Tetrahydroxyflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023879 3,3',4',7-Tetrahydroxyflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023880 3,4',5,7-Tetrahydroxyflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023881 3,4',7,8-Tetrahydroxyflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023882 3,7-Dihydroxy-1,9-dimethyl-2-dibenzofurancarboxylic acid; 15-Hydroxy C15H12O6 288.063388 NA MeJP NA NA +MJ023883 4',5,6,7-Tetrahydroxyflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023884 4',5,7,8-Tetrahydroxyflavanone C15H12O6 288.063388 NA MeJP NA NA +MJ023885 Alphitonin; 3'-Deoxy C15H12O6 288.063388 NA MeJP NA NA +MJ023886 Anhydrofusarubin C15H12O6 288.063388 NA MeJP NA NA +MJ023887 Aspalatone C15H12O6 288.063388 NA MeJP NA NA +MJ023888 Bethancorol; Deoxy C15H12O6 288.063388 NA MeJP NA NA +MJ023889 Cyanomaclurin C15H12O6 288.063388 NA MeJP NA NA +MJ023890 Dehydroaltenusin C15H12O6 288.063388 NA MeJP NA NA +MJ023891 Dihydromicromelin A; 14-Ketone C15H12O6 288.063388 NA MeJP NA NA +MJ023892 Funalenone C15H12O6 288.063388 NA MeJP NA NA +MJ023893 Haematoxylol A C15H12O6 288.063388 NA MeJP NA NA +MJ023894 Hydrangenol, 3',6-Dihydroxy C15H12O6 288.063388 NA MeJP NA NA +MJ023895 Obliquin, 5-Methoxy, 5'-oxo C15H12O6 288.063388 NA MeJP NA NA +MJ023896 Violaceic acid C15H12O6 288.063388 NA MeJP NA NA +MJ023897 ?,2',3,4,4'-Pentahydroxychalcone C15H12O6 288.063388 NA MeJP NA NA +MetaCyc02561 2,6,7,4'-tetrahydroxyisoflavanone [] C15H12O6 288.063388 NA metacyc NA NA +MetaCyc02562 eriodictyol [] C15H12O6 288.063388 NA metacyc NA NA +MetaCyc02563 dalbergioidin [] C15H12O6 288.063388 NA metacyc NA NA +MetaCyc02564 2-hydroxyisoflavanone naringenin [2,5,7,4'-tetrahydroxyisoflavanone;2-hydroxy-2,3-dihydrogenistein;] C15H12O6 288.063388 NA metacyc NA NA +MetaCyc02565 dihydrokaempferol [aromadendrin;(+)-aromadendrin;(+)-Dihydrokaempferol;] C15H12O6 288.063388 480-20-6 metacyc NA NA +MetaCyc02566 2'4'6'34-pentahydroxychalcone [] C15H12O6 288.063388 NA metacyc NA NA +HMDB05810 Eriodictyol C15H12O6 288.06339 http://www.hmdb.ca/metabolites/HMDB05810 HMDB NA NA +HMDB05810 Eriodictyol C15H12O6 288.06339 HMDB05810 PFEM_hmdb_metabocards_official NA NA +C00974 Dihydrokaempferol C15H12O6 288.0634 NA KEGG NA NA +C01378 Fustin C15H12O6 288.0634 NA KEGG NA NA +C05631 Eriodictyol C15H12O6 288.0634 NA KEGG NA NA +C08724 Okanin C15H12O6 288.0634 NA KEGG NA NA +C09277 Micromelin C15H12O6 288.0634 NA KEGG NA NA +C10060 3,5-Dimethoxy-1,6-dihydroxyxanthone C15H12O6 288.0634 NA KEGG NA NA +C10064 Gentiacaulein C15H12O6 288.0634 NA KEGG NA NA +C10083 2-O-Methylswertianin C15H12O6 288.0634 NA KEGG NA NA +C10091 Swerchirin C15H12O6 288.0634 NA KEGG NA NA +C10415 (+-)-Dalbergioidin C15H12O6 288.0634 NA KEGG NA NA +C12631 2-Hydroxy-2,3-dihydrogenistein C15H12O6 288.0634 NA KEGG NA NA +C15525 Eriodictyol chalcone C15H12O6 288.0634 NA KEGG NA NA +C16233 2,6,7,4'-Tetrahydroxyisoflavanone C15H12O6 288.0634 NA KEGG NA NA +C16940 Carthamidin C15H12O6 288.0634 NA KEGG NA NA +MJ023898 3,4-Dihydroxy-2,5-thiophenedicarboxylic acid; Dipropyl ester C12H16O6S 288.066758 NA MeJP NA NA +MJ023899 13,13-Dichloro-12-(2-propenyl)-2,7-methano-1,6-dioxacyclododeca-4,9-diene C14H18Cl2O2 288.068385 NA MeJP NA NA +MJ023900 2-Hydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one C19H12O3 288.078644 NA MeJP NA NA +MJ023901 2-Hydroxy-9-phenyl-1H-phenalen-1-one; 4'-Hydroxy C19H12O3 288.078644 NA MeJP NA NA +MJ023902 2-Hydroxy-9-phenyl-1H-phenalen-1-one; 4-Hydroxy C19H12O3 288.078644 NA MeJP NA NA +MJ023903 4-Hydroxy-3-(1-naphthalenyl)-2H-1-benzopyran-2-one C19H12O3 288.078644 NA MeJP NA NA +MJ023904 Lachnanthocarpone C19H12O3 288.078644 NA MeJP NA NA +MJ023905 1,3,5-Benzenetriol; O-?-D-Glucopyranoside C12H16O8 288.084517 NA MeJP NA NA +MJ023906 3,5-Dihydroxy-2-methyl-4H-pyran-4-one; 5-O-?-L-Rhamnopyranoside C12H16O8 288.084517 NA MeJP NA NA +MJ023907 3-Hydroxy-2-methyl-4H-pyran-4-one; O-?-D-Glucopyranoside C12H16O8 288.084517 NA MeJP NA NA +MJ023908 4-Hydroxy-6-methyl-2H-pyran-2-one; O-?-D-Glucopyranoside C12H16O8 288.084517 NA MeJP NA NA +MJ023909 Cyathiformine B C12H16O8 288.084517 NA MeJP NA NA +MJ023910 Mycalisine B C13H12N4O4 288.085854 NA MeJP NA NA +MJ023911 Chlorotetaine C12H17ClN2O4 288.087684 NA MeJP NA NA +MJ023912 Xanthocillin X C18H12N2O2 288.089877 NA MeJP NA NA +MJ023913 Pterulone B C17H17ClO2 288.091707 NA MeJP NA NA +C15230 Iprobenfos C13H21O3PS 288.0949 NA KEGG NA NA +C15231 Maneb C13H21O3PS 288.0949 NA KEGG NA NA +C15232 Zineb C13H21O3PS 288.0949 NA KEGG NA NA +C07558 Methitural C12H20N2O2S2 288.0966 NA KEGG NA NA +MJ023914 Aglaidithioduline C12H20N2O2S2 288.096619 NA MeJP NA NA +MJ023915 Methitural C12H20N2O2S2 288.096619 NA MeJP NA NA +FL1D1CNS0001 4,2',4'-Trihydroxy-3-methoxydihydrochalcone C16H16O5 288.09977 72463-72-0 knapsack NA NA +FL1D1CNS0002 Dihydrocalythropsin C16H16O5 288.09977 151703-05-8 knapsack NA NA +FL1DABNS0001 2',4',6'-Trihydroxy-4-methoxydihydrochalcone C16H16O5 288.09977 76172-68-4 knapsack NA NA +FL1DBANS0001 4,2',4'-Trihydroxy-6'-methoxydihydrochalcone C16H16O5 288.09977 111316-17-7 knapsack NA NA +FL1DCANS0001 Asebogenin C16H16O5 288.09977 520-42-3 knapsack NA NA +FL1DHXNS0004 2',4',alpha-Trihydroxy-4-methoxydihydrochalcone C16H16O5 288.09977 114107-24-3 knapsack NA NA +FL1DHXNS0005 4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone C16H16O5 288.09977 117614-82-1 knapsack NA NA +FL1DRTNS0004 Loureirin D C16H16O5 288.09977 119425-91-1 knapsack NA NA +MJ023916 1,11b-Dihydro-11b-hydroxymedicarpin C16H16O5 288.099773 NA MeJP NA NA +MJ023917 1-(2,3-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',4'-Methylene, 3-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023918 1-(2,4-Dihydroxyphenyl)-1-hydroxy-3-(4-hydroxyphenyl)-2-propanone, 2'-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023919 1-(2,4-Dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)-1-propanone, 4-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023920 1-(2,4-Dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)-1-propanone, 2'-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023921 1-(2,5-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',4'-Methylene, 5-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023922 1-(3-Hydroxyphenyl)-2-(2,3,4,5-tetrahydroxyphenyl)ethane; 4,5-Methylene, 3-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023923 1-(4-Hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-1-propanone; 2''-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023924 2',3',4',7-Tetrahydroxyisoflavan, 4'-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023925 2',3,4,4'-Tetrahydroxydihydrochalcone; 3'-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023926 2',3,4,4'-Tetrahydroxydihydrochalcone; 4'-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023927 2',4',5',7-Tetrahydroxyisoflavan, 5'-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023928 2,3,4,5,7-Phenanthrenepentol; 9,10-Dihydro, 2,4-di-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023929 2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 2,3-di-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023930 2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 4,6-di-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023931 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, Ac C16H16O5 288.099773 NA MeJP NA NA +MJ023932 2,3-Dihydro-5,6,8-trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one, 6,8-Di-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023933 2,6-Dimethoxybenzoic acid; 4-Hydroxybenzyl ester C16H16O5 288.099773 NA MeJP NA NA +MJ023934 2-Hydroxybenzyl 2,6-dihydroxybenzoate; 2,2'-Di-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023935 2-Hydroxybenzyl alcohol; 2-Me ether, ?-O-(2-hydroxy-6-methoxybenzoyl) C16H16O5 288.099773 NA MeJP NA NA +MJ023936 3,3',4,4',5-Biphenylpentol; 3,4-Methylene, 3',4',5-tri-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023937 3,4-Dihydro-3,6,8,9-tetrahydroxy-3-methyl-1(2H)-anthracenone, 6-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023938 3,4-Dihydro-7,9-dihydroxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-5,10-dione, 7-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023939 3-(4-Hydroxybenzyl)-3,4,7-chromantriol C16H16O5 288.099773 NA MeJP NA NA +MJ023940 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2'-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023941 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4'-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023942 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023943 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione C16H16O5 288.099773 NA MeJP NA NA +MJ023944 5,9,10-Trihydroxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-4(3H)-one, 9-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023945 6-Methoxy-1',2'-epoxycasegravol; 3',4'-Dideoxy, 3',4'-didehydro C16H16O5 288.099773 NA MeJP NA NA +MJ023946 7-Hydroxy-4-oxo-2,5-heptadienoic acid, O-Benzoyl, Et ester C16H16O5 288.099773 NA MeJP NA NA +MJ023947 8-Hydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one; 4-Hydroxy C16H16O5 288.099773 NA MeJP NA NA +MJ023948 Aloesaponol III, 11-Hydroxy, 8-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023949 Aloesaponol IV C16H16O5 288.099773 NA MeJP NA NA +MJ023950 Anhydrorutaretin; Me ether, 1'-methoxy C16H16O5 288.099773 NA MeJP NA NA +MJ023951 Asperflavin C16H16O5 288.099773 NA MeJP NA NA +MJ023952 Austrocortilutein, 1-Deoxy C16H16O5 288.099773 NA MeJP NA NA +MJ023953 Ceylantin C16H16O5 288.099773 NA MeJP NA NA +MJ023954 Citreofuran C16H16O5 288.099773 NA MeJP NA NA +MJ023955 Clavilactone C; 13-Deoxy C16H16O5 288.099773 NA MeJP NA NA +MJ023956 Dendranthemenol; 8,9-Epoxide, 13-epimer, Ac C16H16O5 288.099773 NA MeJP NA NA +MJ023957 Dihydrooroselol, O-Ac C16H16O5 288.099773 NA MeJP NA NA +MJ023958 Elemiferone C16H16O5 288.099773 NA MeJP NA NA +MJ023959 Gasteriacenone A, 4?-Hydroxy, 6-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023960 Glabralactone C16H16O5 288.099773 NA MeJP NA NA +MJ023961 Hemigossypolone; Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023962 Hyperbrasilone; 3'-Hydroxy C16H16O5 288.099773 NA MeJP NA NA +MJ023963 Isohemigossypolone; 3-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023964 Nanaomycin A; Alcohol C16H16O5 288.099773 NA MeJP NA NA +MJ023965 Pabulenol, 3',4'-Dihydro C16H16O5 288.099773 NA MeJP NA NA +MJ023966 Ptaerochromenol; 5-Me ether C16H16O5 288.099773 NA MeJP NA NA +MJ023967 Saropyrone C16H16O5 288.099773 NA MeJP NA NA +MJ023968 Swietenocoumarin A; 2',3'-Dihydro, 2',3'-dihydroxy C16H16O5 288.099773 NA MeJP NA NA +MJ023969 Ventilagone C16H16O5 288.099773 NA MeJP NA NA +MJ023970 Ventiloquinone F C16H16O5 288.099773 NA MeJP NA NA +MJ023971 Yangonin; 10-Methoxy C16H16O5 288.099773 NA MeJP NA NA +MJ023972 Yangonin; 11-Methoxy C16H16O5 288.099773 NA MeJP NA NA +MJ023973 ?-Lapachone; 4S-Hydroxy, 9-methoxy C16H16O5 288.099773 NA MeJP NA NA +MetaCyc02567 7,2'-dihydroxy-4'-methoxy-isoflavanol [DMI;] C16H16O5 288.099774 NA metacyc NA NA +C09471 Asebogenin C16H16O5 288.0998 NA KEGG NA NA +C10292 Alkannin C16H16O5 288.0998 NA KEGG NA NA +C12435 5-Deoxodihydrokalafungin C16H16O5 288.0998 NA KEGG NA NA +C16187 7,2'-Dihydroxy-4'-methoxy-isoflavanol C16H16O5 288.0998 NA KEGG NA NA +C17412 Shikonin C16H16O5 288.0998 NA KEGG NA NA +MJ023974 Tetrazepam C16H17ClN2O 288.10294 NA MeJP NA NA +MJ023975 Antibiotic Sch 37137 C10H16N4O6 288.106984 NA MeJP NA NA +MJ023976 Tiflucarbine C16H17FN2S 288.109647 NA MeJP NA NA +MJ023977 3-Carboxy-1,2,3,4-tetrahydro-?-carboline-1-propanoic acid C15H16N2O4 288.111007 NA MeJP NA NA +MJ023978 5-(1-Aziridinyl)-3-(hydroxymethyl)-2-(3-hydroxy-1-propenyl)-1-methyl-1H-indole-4,7-dione C15H16N2O4 288.111007 NA MeJP NA NA +MJ023979 Mitomycin H C15H16N2O4 288.111007 NA MeJP NA NA +MJ023980 Tomaymycin; 11-O-De-Me, 11-ketone C15H16N2O4 288.111007 NA MeJP NA NA +MJ023981 Soterenol C12H20N2O4S 288.114377 NA MeJP NA NA +C11769 R-Soterenol C12H20N2O4S 288.1144 NA KEGG NA NA +MJ023982 2-(4-Methyl-1,3-pentadienyl)anthraquinone C20H16O2 288.115029 NA MeJP NA NA +PARAC033 UNKNOWN signif manip paracetamol NA 288.1168 RT10 PFEM_hmdb_metabocards_urine NA urine +PARAC033 UNKNOWN signif manip paracetamol NA 288.1168 RT10 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC033 UNKNOWN signif manip paracetamol NA 288.1168 RT10 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC033 UNKNOWN signif manip paracetamol NA 288.1168 RT10 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC033 UNKNOWN signif manip paracetamol NA 288.1168 RT10 HMDB NA NA +PARAC033 UNKNOWN signif manip paracetamol NA 288.1168 RT10 Inhouse_PFEM NA NA +PARAC033 UNKNOWN signif manip paracetamol NA 288.1168 RT10 PFEM_hmdb_metabocards_blood NA blood +PARAC033 UNKNOWN signif manip paracetamol NA 288.1168 RT10 PFEM_hmdb_metabocards_official NA NA +MJ023983 Galacturonic acid; ?-D-Pyranose-form, 1,2:3,4-Di-O-isopropylidene, Me ester C13H20O7 288.120902 NA MeJP NA NA +MJ023984 Piromidic acid C14H16N4O3 288.12224 NA MeJP NA NA +MJ023985 Diphenpyramide C19H16N2O 288.126263 NA MeJP NA NA +C17720 Difenpiramide C19H16N2O 288.1263 NA KEGG NA NA +MJ023986 6-[(3-Methylphenyl)methyl]-2-[(2-methylpropyl)thio]-4(1H)-pyrimidinone C16H20N2OS 288.129633 NA MeJP NA NA +MJ023987 Voxergolide C16H20N2OS 288.129633 NA MeJP NA NA +MJ023988 Palythine-serine; 3-N-Me C12H20N2O6 288.132136 NA MeJP NA NA +MJ023989 Palythine; 3-N-(2-Hydroxyethyl) C12H20N2O6 288.132136 NA MeJP NA NA +MJ023990 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propane; 2',3''-Di-Me ether C17H20O4 288.136159 NA MeJP NA NA +MJ023991 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propane; 2',4''-Di-Me ether C17H20O4 288.136159 NA MeJP NA NA +MJ023992 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propane; 3'',4'-Di-Me ether C17H20O4 288.136159 NA MeJP NA NA +MJ023993 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propane; 4',4''-Di-Me ether C17H20O4 288.136159 NA MeJP NA NA +MJ023994 1-(2-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',4',5'-Tri-Me ether C17H20O4 288.136159 NA MeJP NA NA +MJ023995 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethane; 3,3',5'-Tri-Me ether C17H20O4 288.136159 NA MeJP NA NA +MJ023996 1-(3-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4,5-Tri-Me ether C17H20O4 288.136159 NA MeJP NA NA +MJ023997 1-(4-Hydroxy-2-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propane C17H20O4 288.136159 NA MeJP NA NA +MJ023998 1-(4-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4',5-Tri-Me ether C17H20O4 288.136159 NA MeJP NA NA +MJ023999 1-(4-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4,5-Tri-Me ether C17H20O4 288.136159 NA MeJP NA NA +MJ024000 1-Hydroxy-3,7(11),8-eudesmatrien-12,8-olide, Ac C17H20O4 288.136159 NA MeJP NA NA +MJ024001 1-Hydroxy-4(15),7(11),8-eudesmatrien-12,8-olide, Ac C17H20O4 288.136159 NA MeJP NA NA +MJ024002 2,3,9-Trihydroxy-14-cadalenal; 7,8-Di-Me ether C17H20O4 288.136159 NA MeJP NA NA +MJ024003 2,3-Epoxy-2-(3-methyl-2-butenyl)-1,4-naphthalenedione; 4-Di-Me acetal C17H20O4 288.136159 NA MeJP NA NA +MJ024004 3,4',5-Trihydroxy-4-(3-hydroxy-3-methylbutyl)biphenyl C17H20O4 288.136159 NA MeJP NA NA +MJ024005 3,4-Dihydro-1,3-dimethyl-1H-naphtho[2,3-c]pyran-7,9,10-triol, 7,9-Di-Me ether C17H20O4 288.136159 NA MeJP NA NA +MJ024006 3-(1,1-Dimethyl-2-propenyl)-2,8-dimethoxy-5-methyl-4H-benzopyran-4-one C17H20O4 288.136159 NA MeJP NA NA +MJ024007 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 4'-O-(3-Methyl-1,3-butadienyl)(Z-), 3'-Me ether, 1-Ac C17H20O4 288.136159 NA MeJP NA NA +MJ024008 3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxybenzoic acid, 1'-Oxo C17H20O4 288.136159 NA MeJP NA NA +MJ024009 3-Hydroxy-1,4(15),11(13)-eudesmatrien-12,6-olide, Ac C17H20O4 288.136159 NA MeJP NA NA +MJ024010 3-Hydroxy-1,4(15),11(13)-eudesmatrien-12,8-olide, Ac C17H20O4 288.136159 NA MeJP NA NA +MJ024011 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, Ac C17H20O4 288.136159 NA MeJP NA NA +MJ024012 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, Ac C17H20O4 288.136159 NA MeJP NA NA +MJ024013 4-Isopropyl-2,3,4',5-biphenyltetrol; 3,5-Di-Me ether C17H20O4 288.136159 NA MeJP NA NA +MJ024014 5,11-Tridecadiene-7,9-diyne-1,3-diol; Di-Ac C17H20O4 288.136159 NA MeJP NA NA +MJ024015 6,12,13-Trihydroxy-5,8,11,13-podocarpatetraen-7-one C17H20O4 288.136159 NA MeJP NA NA +MJ024016 6-(Hydroxyacetyl)-2,2-dimethyl-2H-benzopyran; 2-Methylpropanoyl C17H20O4 288.136159 NA MeJP NA NA +MJ024017 6-Hydroxy-1(10),4(15),11(13)-guaiatrien-12,8-olide, 6-Ac C17H20O4 288.136159 NA MeJP NA NA +MJ024018 6-Hydroxy-1(10),7(11),8-eremophilatrien-12,8-olide, Ac C17H20O4 288.136159 NA MeJP NA NA +MJ024019 6-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, Ac C17H20O4 288.136159 NA MeJP NA NA +MJ024020 6-Hydroxyfuranoeremophil-1(10)-en-9-one, Ac C17H20O4 288.136159 NA MeJP NA NA +MJ024021 7-Hydroxy-6-(3-hydroxy-3-methyl-1-butenyl)-2H-1-benzopyran-2-one, 7-Me, 3'-Et ether C17H20O4 288.136159 NA MeJP NA NA +MJ024022 8-Hydroxy-1(10),2,4-guaiatrien-12,6-olide, Ac C17H20O4 288.136159 NA MeJP NA NA +MJ024023 8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, Ac C17H20O4 288.136159 NA MeJP NA NA +MJ024024 8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-Ac C17H20O4 288.136159 NA MeJP NA NA +MJ024025 Avicenol A; 3-Deoxy C17H20O4 288.136159 NA MeJP NA NA +MJ024026 Cacalol; 13-Acetoxy C17H20O4 288.136159 NA MeJP NA NA +MJ024027 Chloranthalactone C C17H20O4 288.136159 NA MeJP NA NA +MJ024028 Heteropeucenin; Di-Me ether C17H20O4 288.136159 NA MeJP NA NA +MJ024029 Ligustilide; 9-Angeloyloxy C17H20O4 288.136159 NA MeJP NA NA +MJ024030 Mysorenone A C17H20O4 288.136159 NA MeJP NA NA +MJ024031 Strobilurin A; 3'-Methoxy C17H20O4 288.136159 NA MeJP NA NA +MJ024032 Strobilurin A; 4'-Methoxy C17H20O4 288.136159 NA MeJP NA NA +MJ024033 Strobilurin A; 4-Methoxy C17H20O4 288.136159 NA MeJP NA NA +C09942 Karwinaphthol B C17H20O4 288.1362 NA KEGG NA NA +C11166 SDS C12H25O4S 288.1371 NA KEGG NA NA +C11167 Transferred to D01046 C12H25O4S 288.1371 NA KEGG NA NA +HMDB05004 Sodium lauryl sulfate C12H25NaO4S 288.137115 NA HMDB2010 NA NA +HMDB05004 Sodium lauryl sulfate C12H25NaO4S 288.13712 http://www.hmdb.ca/metabolites/HMDB05004 HMDB NA NA +HMDB05004 Sodium lauryl sulfate C12H25NaO4S 288.13712 HMDB05004 PFEM_hmdb_metabocards_official NA NA +MJ024034 Irtemazole C18H16N4 288.137496 NA MeJP NA NA +PJ000177 AAQ C11H20N4O5 288.1434 NA PeJP NA NA +MJ024035 1-(Ethoxymethyl)-5-ethyl-6-(phenylmethyl)-2,4(1H,3H)-pyrimidinedione C16H20N2O3 288.147392 NA MeJP NA NA +MJ024036 4-(3-Methyl-2-butenyl)tryptophan, 4'-Hydroxy C16H20N2O3 288.147392 NA MeJP NA NA +MJ024037 Cyclo(glycyltyrosyl), O-(3-Methyl-2-butenyl) C16H20N2O3 288.147392 NA MeJP NA NA +MJ024038 Megasporizine C16H20N2O3 288.147392 NA MeJP NA NA +MJ024039 Morsuximide C16H20N2O3 288.147392 NA MeJP NA NA +MetaCyc02568 indole-3-acetyl-leu [indole-3-acetyl-leucine;] C16H20N2O3 288.147393 NA metacyc NA NA +C11494 Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate C16H20N2O3 288.1474 NA KEGG NA NA +C11495 Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate C16H20N2O3 288.1474 NA KEGG NA NA +7481 ACE inhibitor (fragment of k-casein: 185-190) VTSTAV 288.1495 MH2+ Inhouse_peptide NA peptide +PJ000178 NR C10H20N6O4 288.1546 NA PeJP NA NA +MJ024040 chiro-Inositol, 1,4-Di-Me, 2,3:5,6-Di-O-isopropylidene C14H24O6 288.157288 NA MeJP NA NA +2726 erythromycin inhibitor MSLKV 288.1592 MH2+ Inhouse_peptide NA peptide +MJ024041 Milverine C20H20N2 288.162648 NA MeJP NA NA +MJ024042 Alkaloid 1 (Calabash curare) C20H21N2(+) 288.162648 NA MeJP NA NA +C03935 6beta-Hydroxyestradiol-17beta C18H24O3 288.1725 NA KEGG NA NA +C03939 Acetyl-[acyl-carrier protein] C2H3OSR 288.1725 NA KEGG NA NA +C03940 Anthocyanidin-3-O-beta-D-glucoside C21H19O10R2 288.1725 NA KEGG NA NA +C03941 Calmodulin N6-methyl-L-lysine C8H15N3O2R2 288.1725 NA KEGG NA NA +C03942 D-Galactosylglycosaminoglycan C8H15N3O2R2 288.1725 NA KEGG NA NA +C05141 Estriol C18H24O3 288.1725 NA KEGG NA NA +C05301 2-Hydroxyestradiol C18H24O3 288.1725 NA KEGG NA NA +C14209 4-Hydroxyestradiol-17beta C18H24O3 288.1725 NA KEGG NA NA +C15385 D-Homo-A-nor-17a-oxaandrost-3(5)-ene-2,17-dione C18H24O3 288.1725 NA KEGG NA NA +MJ024043 6beta-Hydroxyestradiol-17beta C18H24O3 288.172544 NA MeJP NA NA +MJ024044 Estriol C18H24O3 288.172544 NA MeJP NA NA +MJ024045 12,13-Dihydroxy-8,11,13-podocarpatrien-3-one; 12-Me ether C18H24O3 288.172544 NA MeJP NA NA +MJ024046 12,13-Dihydroxy-8,11,13-podocarpatrien-7-one; 13-Me ether C18H24O3 288.172544 NA MeJP NA NA +MJ024047 13,14-Dihydroxy-8,11,13-podocarpatrien-7-one; 13-Me ether C18H24O3 288.172544 NA MeJP NA NA +MJ024048 13-Hydroxy-8,12-podocarpadiene-11,14-dione; Me ether C18H24O3 288.172544 NA MeJP NA NA +MJ024049 16-Hydroxy-9,17-octadecadiene-12,14-diynoic acid, Aldehyde, 9?,10?-epoxide C18H24O3 288.172544 NA MeJP NA NA +MJ024050 16-Hydroxy-9,17-octadecadiene-12,14-diynoic acid C18H24O3 288.172544 NA MeJP NA NA +MJ024051 3,12-Dihydroxy-13-methyl-8,11,13-podocarpatrien-7-one C18H24O3 288.172544 NA MeJP NA NA +MJ024052 3,4-Dihydroxybenzaldehyde; 4-O-(3,7-Dimethyl-2,6-octadienyl), 3-Me ether C18H24O3 288.172544 NA MeJP NA NA +MJ024053 3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxybenzoic acid, Me ether C18H24O3 288.172544 NA MeJP NA NA +MJ024054 4-(3,7-Dimethyl-2,6-octadienyl)-3-hydroxybenzoic acid; Me ester C18H24O3 288.172544 NA MeJP NA NA +MJ024055 4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid; Me ester C18H24O3 288.172544 NA MeJP NA NA +MJ024056 4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid; Me ether C18H24O3 288.172544 NA MeJP NA NA +MJ024057 4-Hydroxy-3,5-diprenylacetophenone; 4''-Hydroxy C18H24O3 288.172544 NA MeJP NA NA +MJ024058 4-Hydroxy-3,5-diprenylacetophenone; 5''-Hydroxy C18H24O3 288.172544 NA MeJP NA NA +MJ024059 5-Hydroxy-2-nonyl-4H-1-benzopyran-4-one C18H24O3 288.172544 NA MeJP NA NA +MJ024060 6,8,11,13-Podocarpatetraene-1,13,14-triol, 13-Me ether C18H24O3 288.172544 NA MeJP NA NA +MJ024061 7-Hydroxy-15,16-dinor-12-oxo-8(14)-cassen-17-oic acid, 17?7 Lactone C18H24O3 288.172544 NA MeJP NA NA +MJ024062 8,11,13-Podocarpatriene-12,19-diol; 19-Carboxylic acid, Me ester C18H24O3 288.172544 NA MeJP NA NA +MJ024063 8-Hydroxy-13,17-octadecadiene-9,11-diynoic acid C18H24O3 288.172544 NA MeJP NA NA +MJ024064 Colletorin B C18H24O3 288.172544 NA MeJP NA NA +MJ024065 Dicranenone A C18H24O3 288.172544 NA MeJP NA NA +MJ024066 Dicranenone B1 C18H24O3 288.172544 NA MeJP NA NA +MJ024067 Doisynolic acid C18H24O3 288.172544 NA MeJP NA NA +MJ024068 Estra-1,3,5(10)-triene-3,15,17-triol C18H24O3 288.172544 NA MeJP NA NA +MJ024069 Estra-1,3,5(10)-triene-3,16,17-triol C18H24O3 288.172544 NA MeJP NA NA +MJ024070 Hynapene B C18H24O3 288.172544 NA MeJP NA NA +MJ024071 Hynapene C C18H24O3 288.172544 NA MeJP NA NA +MJ024072 Piloselloidone C18H24O3 288.172544 NA MeJP NA NA +MJ024073 Premnolal C18H24O3 288.172544 NA MeJP NA NA +MetaCyc02569 2-hydroxyestradiol [2-hydroxyestradiol-17 α;2-hydroxyestradiol-17 β;] C18H24O3 288.172545 362-05-0 metacyc NA NA +MetaCyc02570 estriol [estetrol;16-hydroxyestradiol;16-epiestriol;16,17-epiestriol;ovestin;1,3,5(10)-estratriene-3,16-α,17β-triol;] C18H24O3 288.172545 50-27-1 metacyc NA NA +MetaCyc02571 6β-Hydroxyestradiol-17β [] C18H24O3 288.172545 NA metacyc NA NA +HMDB00153 Estriol C18H24O3 288.172546 NA HMDB2010 NA NA +HMDB00338 2-Hydroxyestradiol C18H24O3 288.172546 NA HMDB2010 NA NA +HMDB00347 16b-Hydroxyestradiol C18H24O3 288.172546 NA HMDB2010 NA NA +HMDB00356 17-Epiestriol C18H24O3 288.172546 NA HMDB2010 NA NA +HMDB00431 16,17-Epiestriol C18H24O3 288.172546 NA HMDB2010 NA NA +HMDB05896 4-hydroxyestradiol C18H24O3 288.172546 NA HMDB2010 NA NA +HMDB00153 Estriol C18H24O3 288.17255 http://www.hmdb.ca/metabolites/HMDB00153 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00153 Estriol C18H24O3 288.17255 http://www.hmdb.ca/metabolites/HMDB00153 HMDB NA NA +HMDB00338 2-Hydroxyestradiol C18H24O3 288.17255 http://www.hmdb.ca/metabolites/HMDB00338 HMDB NA NA +HMDB00347 16b-Hydroxyestradiol C18H24O3 288.17255 http://www.hmdb.ca/metabolites/HMDB00347 HMDB NA NA +HMDB00356 17-Epiestriol C18H24O3 288.17255 http://www.hmdb.ca/metabolites/HMDB00356 HMDB NA NA +HMDB00431 16,17-Epiestriol C18H24O3 288.17255 http://www.hmdb.ca/metabolites/HMDB00431 HMDB NA NA +HMDB00153 Estriol C18H24O3 288.17255 http://www.hmdb.ca/metabolites/HMDB00153 PFEM_hmdb_metabocards_blood NA blood +HMDB00153 Estriol C18H24O3 288.17255 HMDB00153 PFEM_hmdb_metabocards_official NA NA +HMDB00338 2-Hydroxyestradiol C18H24O3 288.17255 HMDB00338 PFEM_hmdb_metabocards_official NA NA +HMDB00347 16b-Hydroxyestradiol C18H24O3 288.17255 HMDB00347 PFEM_hmdb_metabocards_official NA NA +HMDB00356 17-Epiestriol C18H24O3 288.17255 HMDB00356 PFEM_hmdb_metabocards_official NA NA +HMDB00431 16,17-Epiestriol C18H24O3 288.17255 HMDB00431 PFEM_hmdb_metabocards_official NA NA +PJ000179 AAK C12H24N4O4 288.1798 NA PeJP NA NA +MJ024074 1,4-Butanediamine; N-E-Cinnamoyl, N'-(2-methylpropanoyl) C17H24N2O2 288.183778 NA MeJP NA NA +MJ024075 Benzastatin G C17H24N2O2 288.183778 NA MeJP NA NA +MJ024076 Phenglutarimide C17H24N2O2 288.183778 NA MeJP NA NA +MJ024077 3-Docosene-1,11,13,15,21-pentayne C22H24 288.1878 NA MeJP NA NA +MJ024078 10-Bisabolene-1,2,3,6,7-pentol C15H28O5 288.193674 NA MeJP NA NA +MJ024079 6-Hydroxypentadecanedioic acid C15H28O5 288.193674 NA MeJP NA NA +MJ024080 7-Hydroxypentadecanedioic acid C15H28O5 288.193674 NA MeJP NA NA +MJ024081 Grandol C15H28O5 288.193674 NA MeJP NA NA +MJ024082 Valinoctin; Valinoctin B C14H28N2O4 288.204907 NA MeJP NA NA +EUR387 Testosterone C19H28O2 288.207975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR387 Testosterone F1 NA 288.207975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR387 Testosterone C19H28O2 288.207975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR387 Testosterone F1 NA 288.207975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR387 Testosterone C19H28O2 288.207975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR387 Testosterone F1 NA 288.207975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR387 Testosterone C19H28O2 288.207975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR387 Testosterone C19H28O2 288.207975 standards wishlist analysés sur QTOF HMDB NA NA +EUR387 Testosterone C19H28O2 288.207975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR387 Testosterone F1 NA 288.207975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR387 Testosterone C19H28O2 288.207975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR387 Testosterone C19H28O2 288.207975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR098 Dehydroepiandrosterone C19H28O2 288.2089 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR100 Testosterone C19H28O2 288.2089 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR098 Dehydroepiandrosterone C19H28O2 288.2089 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR100 Testosterone C19H28O2 288.2089 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR098 Dehydroepiandrosterone C19H28O2 288.2089 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR100 Testosterone C19H28O2 288.2089 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR098 Dehydroepiandrosterone C19H28O2 288.2089 Wishlist Inhousejuil11 NA NA +EUR100 Testosterone C19H28O2 288.2089 Wishlist Inhousejuil11 NA NA +C00535 Testosterone C19H28O2 288.2089 NA KEGG NA NA +C00674 5alpha-Androstane-3,17-dione C19H28O2 288.2089 NA KEGG NA NA +C00675 Deoxynucleoside 3'-phosphate C5H10O6PR 288.2089 NA KEGG NA NA +C00676 Deoxynucleoside 5'-phosphate C5H10O6PR 288.2089 NA KEGG NA NA +C00677 Deoxynucleoside triphosphate C5H12O12P3R 288.2089 NA KEGG NA NA +C00678 Lipid-linked oligosaccharide C5H12O12P3R 288.2089 NA KEGG NA NA +C01227 Dehydroepiandrosterone C19H28O2 288.2089 NA KEGG NA NA +C03772 5beta-Androstane-3,17-dione C19H28O2 288.2089 NA KEGG NA NA +C03773 6-Acetyl-beta-D-galactoside C8H13O7R 288.2089 NA KEGG NA NA +C14491 Normethandrolone C19H28O2 288.2089 NA KEGG NA NA +C14682 3-Methoxyestra-2,5(10)-dien-17beta-ol C19H28O2 288.2089 NA KEGG NA NA +C15258 17beta-Hydroxy-2alpha-methylestr-4-en-3-one C19H28O2 288.2089 NA KEGG NA NA +C15335 3beta-Hydroxy-5-androsten-16-one C19H28O2 288.2089 NA KEGG NA NA +C15377 17beta-Hydroxy-5alpha-androst-1-en-3-one C19H28O2 288.2089 NA KEGG NA NA +C15395 17beta-Hydroxy-4-methylestr-4-en-3-one C19H28O2 288.2089 NA KEGG NA NA +HMDB00234 Testosterone C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB00234 PFEM_hmdb_metabocards_urine NA urine +HMDB00077 Dehydroepiandrosterone C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB00077 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00234 Testosterone C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB00234 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00628 Epitestosterone C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB00628 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00899 Androstanedione C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB00899 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00234 Testosterone C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB00234 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00234 Testosterone C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB00234 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00077 Dehydroepiandrosterone C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB00077 HMDB NA NA +HMDB00234 Testosterone C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB00234 HMDB NA NA +HMDB00628 Epitestosterone C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB00628 HMDB NA NA +HMDB00899 Androstanedione C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB00899 HMDB NA NA +HMDB03769 Etiocholanedione C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB03769 HMDB NA NA +HMDB03959 19-Oxotestosterone C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB03959 HMDB NA NA +HMDB05962 Dehydroandrosterone C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB05962 HMDB NA NA +HMDB06035 4-Dihydroboldenone C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB06035 HMDB NA NA +HMDB00077 Dehydroepiandrosterone C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB00077 PFEM_hmdb_metabocards_blood NA blood +HMDB00234 Testosterone C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB00234 PFEM_hmdb_metabocards_blood NA blood +HMDB00628 Epitestosterone C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB00628 PFEM_hmdb_metabocards_blood NA blood +HMDB00899 Androstanedione C19H28O2 288.20892 http://www.hmdb.ca/metabolites/HMDB00899 PFEM_hmdb_metabocards_blood NA blood +HMDB00077 Dehydroepiandrosterone C19H28O2 288.20892 HMDB00077 PFEM_hmdb_metabocards_official NA NA +HMDB00234 Testosterone C19H28O2 288.20892 HMDB00234 PFEM_hmdb_metabocards_official NA NA +HMDB00628 Epitestosterone C19H28O2 288.20892 HMDB00628 PFEM_hmdb_metabocards_official NA NA +HMDB00899 Androstanedione C19H28O2 288.20892 HMDB00899 PFEM_hmdb_metabocards_official NA NA +HMDB03769 Etiocholanedione C19H28O2 288.20892 HMDB03769 PFEM_hmdb_metabocards_official NA NA +HMDB03959 19-Oxotestosterone C19H28O2 288.20892 HMDB03959 PFEM_hmdb_metabocards_official NA NA +HMDB05962 Dehydroandrosterone C19H28O2 288.20892 HMDB05962 PFEM_hmdb_metabocards_official NA NA +HMDB06035 4-Dihydroboldenone C19H28O2 288.20892 HMDB06035 PFEM_hmdb_metabocards_official NA NA +HMDB00077 Dehydroepiandrosterone C19H28O2 288.208923 NA HMDB2010 NA NA +HMDB00234 Testosterone C19H28O2 288.208923 NA HMDB2010 NA NA +HMDB00628 Epitestosterone C19H28O2 288.208923 NA HMDB2010 NA NA +HMDB00899 Androstanedione C19H28O2 288.208923 NA HMDB2010 NA NA +HMDB03769 Etiocholanedione C19H28O2 288.208923 NA HMDB2010 NA NA +HMDB03959 19-Oxotestosterone C19H28O2 288.208923 NA HMDB2010 NA NA +HMDB05962 Dehydroandrosterone C19H28O2 288.208923 NA HMDB2010 NA NA +HMDB06035 4-Dihydroboldenone C19H28O2 288.208923 NA HMDB2010 NA NA +EUR098 Dehydroepiandrosterone C19H28O2 288.20893 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR100 Testosterone C19H28O2 288.20893 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR098 Dehydroepiandrosterone C19H28O2 288.20893 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR100 Testosterone C19H28O2 288.20893 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR098 Dehydroepiandrosterone C19H28O2 288.20893 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR100 Testosterone C19H28O2 288.20893 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR098 Dehydroepiandrosterone C19H28O2 288.20893 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR100 Testosterone C19H28O2 288.20893 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR098 Dehydroepiandrosterone C19H28O2 288.20893 Wishlist HMDB NA NA +EUR100 Testosterone C19H28O2 288.20893 Wishlist HMDB NA NA +EUR098 Dehydroepiandrosterone C19H28O2 288.20893 Wishlist Inhouse_PFEM NA NA +EUR100 Testosterone C19H28O2 288.20893 Wishlist Inhouse_PFEM NA NA +MJ024083 5alpha-Androstane-3,17-dione C19H28O2 288.20893 NA MeJP NA NA +MJ024084 5beta-Androstane-3,17-dione C19H28O2 288.20893 NA MeJP NA NA +MJ024085 3beta-Hydroxyandrost-5-en-17-one C19H28O2 288.20893 NA MeJP NA NA +MJ024086 Testosterone C19H28O2 288.20893 NA MeJP NA NA +MJ024087 11-Hydroxy-20-nor-8,15-isopimaradien-7-one; 11?-form C19H28O2 288.20893 NA MeJP NA NA +MJ024088 13,15-Epoxy-20-nor-8,10,16-lobatrien-18-one C19H28O2 288.20893 NA MeJP NA NA +MJ024089 17,18-Epoxy-14-nor-8,10,15-lobatrien-13-one C19H28O2 288.20893 NA MeJP NA NA +MJ024090 17-Hydroxyandrost-4-en-3-one; 17?-form C19H28O2 288.20893 NA MeJP NA NA +MJ024091 17-Hydroxyandrost-4-en-3-one; 17?-form C19H28O2 288.20893 NA MeJP NA NA +MJ024092 18-Nor-8,11,13-abietatrien-4-ol; 4-Epimer, 4-hydroperoxide C19H28O2 288.20893 NA MeJP NA NA +MJ024093 18-Nor-8,11,13-abietatrien-4-ol; 4-Hydroperoxide C19H28O2 288.20893 NA MeJP NA NA +MJ024094 18-Nor-8,11,13-abietatriene-4,15-diol; 4?-form C19H28O2 288.20893 NA MeJP NA NA +MJ024095 18-Nor-8,11,13-abietatriene-4,7-diol C19H28O2 288.20893 NA MeJP NA NA +MJ024096 2-(3,7-Dimethyl-2,6-octadienyl)-6-methyl-1,4-benzenediol, Di-Me ether C19H28O2 288.20893 NA MeJP NA NA +MJ024097 3-Hydroxyandrost-11-en-17-one C19H28O2 288.20893 NA MeJP NA NA +MJ024098 3-Hydroxyandrost-4-en-17-one C19H28O2 288.20893 NA MeJP NA NA +MJ024099 3-Hydroxyandrost-5-en-17-one C19H28O2 288.20893 NA MeJP NA NA +MJ024100 3-Hydroxyandrost-9(11)-en-17-one C19H28O2 288.20893 NA MeJP NA NA +MJ024101 5,8,11,14,17-Nonadecapentaenoic acid C19H28O2 288.20893 NA MeJP NA NA +MJ024102 5-Methyl-3-(1-tetradecenyl)-2(5H)-furanone, 11,12,13,14-Tetradehydro(E,E-) C19H28O2 288.20893 NA MeJP NA NA +MJ024103 6-Hydroxy-3,5-cycloandrostan-17-one C19H28O2 288.20893 NA MeJP NA NA +MJ024104 8-Hydroxy-19-nor-4(18),15-isopimaradien-7-one C19H28O2 288.20893 NA MeJP NA NA +MJ024105 Acalycixeniolide B; 13,14-Dihydro C19H28O2 288.20893 NA MeJP NA NA +MJ024106 Androstane-3,17-dione C19H28O2 288.20893 NA MeJP NA NA +MJ024107 Aplysillolide B C19H28O2 288.20893 NA MeJP NA NA +MJ024108 Aplytandiene 1 C19H28O2 288.20893 NA MeJP NA NA +MJ024109 Benorterone C19H28O2 288.20893 NA MeJP NA NA +MJ024110 Bicyclogermacren-3-ol, 3-(2-Methyl-2-propenoyl) C19H28O2 288.20893 NA MeJP NA NA +MJ024111 Cannabigerovarin C19H28O2 288.20893 NA MeJP NA NA +MJ024112 Elisabethin B C19H28O2 288.20893 NA MeJP NA NA +MJ024113 Fischeria A C19H28O2 288.20893 NA MeJP NA NA +MJ024114 Normethandrone C19H28O2 288.20893 NA MeJP NA NA +MJ024115 Pipataline C19H28O2 288.20893 NA MeJP NA NA +MJ024116 Trestolone C19H28O2 288.20893 NA MeJP NA NA +MJ024117 Xestenone C19H28O2 288.20893 NA MeJP NA NA +MetaCyc02572 dehydroepiandrosterone [] C19H28O2 288.20893 NA metacyc NA NA +MetaCyc02573 5-β-androstane-3,17-dione [] C19H28O2 288.20893 1229-12-5 metacyc NA NA +MetaCyc02574 3-β-hydroxyandrost-5-en-17-one [] C19H28O2 288.20893 NA metacyc NA NA +MetaCyc02575 5α-Androstane-3,17-dione [Androstanedione;] C19H28O2 288.20893 846-46-8 metacyc NA NA +MetaCyc02576 testosterone [] C19H28O2 288.20893 NA metacyc NA NA +EUR098 Dehydroepiandrosterone C19H28O2 288.20893 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR100 Testosterone C19H28O2 288.20893 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR098 Dehydroepiandrosterone C19H28O2 288.20893 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR100 Testosterone C19H28O2 288.20893 Wishlist PFEM_hmdb_metabocards_official NA NA +CJpos0694 Octanoylcarnitine [(M+H)]+ (13C) C1413CH30NO4 288.212475 C18rt(min)=7.86 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0695 Octanoylcarnitine isomer [(M+H)]+ (13C) C1413CH30NO4 288.212475 C18rt(min)=7.5 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0694 Octanoylcarnitine [(M+H)]+ (13C) C1413CH30NO4 288.212475 C18rt(min)=7.86 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0695 Octanoylcarnitine isomer [(M+H)]+ (13C) C1413CH30NO4 288.212475 C18rt(min)=7.5 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +EUR466 Testosterone glucuronide F2 F2 288.212675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR466 Testosterone glucuronide F2 NA 288.212675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR466 Testosterone glucuronide F2 F2 288.212675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR466 Testosterone glucuronide F2 NA 288.212675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR466 Testosterone glucuronide F2 F2 288.212675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR466 Testosterone glucuronide F2 NA 288.212675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR466 Testosterone glucuronide F2 F2 288.212675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR466 Testostérone glucuronide F2 F2 288.212675 standards wishlist analysés sur QTOF HMDB NA NA +EUR466 Testosterone glucuronide F2 F2 288.212675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR466 Testosterone glucuronide F2 NA 288.212675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR466 Testosterone glucuronide F2 F2 288.212675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR466 Testosterone glucuronide F2 F2 288.212675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR390 Dehydroepiandrosterone F1 NA 288.213075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR390 Dehydroepiandrosterone F1 NA 288.213075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR390 Dehydroepiandrosterone F1 NA 288.213075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR390 Dehydroepiandrosterone F1 NA 288.213075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR390 Dehydroepiandrosterone F1 NA 288.213075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR390 Dehydroepiandrosterone F1 NA 288.213075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR390 Dehydroepiandrosterone F1 NA 288.213075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR390 Dehydroepiandrosterone F1 NA 288.213075 standards wishlist analysés sur QTOF HMDB NA NA +EUR390 Dehydroepiandrosterone F1 NA 288.213075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR390 Dehydroepiandrosterone F1 NA 288.213075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR390 Dehydroepiandrosterone F1 NA 288.213075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR390 Dehydroepiandrosterone F1 NA 288.213075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ024118 Bumecaine C18H28N2O 288.220163 NA MeJP NA NA +MJ024119 Bupivacaine C18H28N2O 288.220163 NA MeJP NA NA +MJ024120 Flabellidine; Natural-form C18H28N2O 288.220163 NA MeJP NA NA +MJ024121 Flabelline C18H28N2O 288.220163 NA MeJP NA NA +MJ024122 Serratinidine; Deoxy C18H28N2O 288.220163 NA MeJP NA NA +C07529 Bupivacaine C18H28N2O 288.2202 NA KEGG NA NA +C07887 L-(-)-1-Butyl-2',6'-pipecoloxylidide C18H28N2O 288.2202 NA KEGG NA NA +C09865 Flabellidine C18H28N2O 288.2202 NA KEGG NA NA +MJ024123 10,16-Dihydroxyhexadecanoic acid C16H32O4 288.230059 NA MeJP NA NA +MJ024124 15,16-Dihydroxyhexadecanoic acid C16H32O4 288.230059 NA MeJP NA NA +MJ024125 3,12-Dihydroxyhexadecanoic acid C16H32O4 288.230059 NA MeJP NA NA +MJ024126 4,6-Diethyl-3,6-dihydroxydecanoic acid; Et ester C16H32O4 288.230059 NA MeJP NA NA +MJ024127 8,16-Dihydroxyhexadecanoic acid C16H32O4 288.230059 NA MeJP NA NA +MJ024128 9,16-Dihydroxyhexadecanoic acid C16H32O4 288.230059 NA MeJP NA NA +MetaCyc02577 10,16-dihydroxypalmitate [] C16H32O4 288.23006 NA metacyc NA NA +C08285 10,16-Dihydroxyhexadecanoic acid C16H32O4 288.2301 NA KEGG NA NA +C11872 Kaur-16-en-18-ol C20H32O 288.2453 NA KEGG NA NA +C11882 Abietinol C20H32O 288.2453 NA KEGG NA NA +C11883 Levopimarinol C20H32O 288.2453 NA KEGG NA NA +C11884 Neoabietinol C20H32O 288.2453 NA KEGG NA NA +C11895 Taxa-4(20),11(12)-dien-5alpha-ol C20H32O 288.2453 NA KEGG NA NA +C14906 (5alpha,17beta)-3-Methyl-androst-2-en-17-ol C20H32O 288.2453 NA KEGG NA NA +C15101 17-Methyl-5-alpha-androst-2-en-17-beta-ol C20H32O 288.2453 NA KEGG NA NA +C15492 all-trans-13,14-Dihydroretinol C20H32O 288.2453 NA KEGG NA NA +C16858 Pachydictyol A C20H32O 288.2453 NA KEGG NA NA +MJ024129 1(14),3,7-Neodolabellatrien-5-ol C20H32O 288.245315 NA MeJP NA NA +MJ024130 1(15),17-Dolastadien-4-ol C20H32O 288.245315 NA MeJP NA NA +MJ024131 1(15),8(19)-Trinervitadien-9-ol C20H32O 288.245315 NA MeJP NA NA +MJ024132 1(15),8-Dolastadien-2-ol C20H32O 288.245315 NA MeJP NA NA +MJ024133 1(15),8-Dolastadien-4-ol C20H32O 288.245315 NA MeJP NA NA +MJ024134 1(15),8-Trinervitadien-2-ol C20H32O 288.245315 NA MeJP NA NA +MJ024135 1(15),8-Trinervitadien-3-ol C20H32O 288.245315 NA MeJP NA NA +MJ024136 1,11-Trinervitadien-3-ol C20H32O 288.245315 NA MeJP NA NA +MJ024137 1,15-Valparadien-3-ol C20H32O 288.245315 NA MeJP NA NA +MJ024138 1,3,11-Cembratrien-6-one C20H32O 288.245315 NA MeJP NA NA +MJ024139 1,3,6,11-Cembratetraen-8-ol C20H32O 288.245315 NA MeJP NA NA +MJ024140 1,3,7,10-Cembratetraen-12-ol C20H32O 288.245315 NA MeJP NA NA +MJ024141 1,3,7,11-Cembratetraen-13-ol C20H32O 288.245315 NA MeJP NA NA +MJ024142 1,3,7,11-Cembratetraen-14-ol C20H32O 288.245315 NA MeJP NA NA +MJ024143 1,3,7,11-Cembratetraen-15-ol C20H32O 288.245315 NA MeJP NA NA +MJ024144 1,3,7,11-Cembratetraen-9-ol C20H32O 288.245315 NA MeJP NA NA +MJ024145 1,3,7,11-Cembratetraene, 11S,12S-Epoxide C20H32O 288.245315 NA MeJP NA NA +MJ024146 1,3,7,11-Cembratetraene, 7R,8R-Epoxide C20H32O 288.245315 NA MeJP NA NA +MJ024147 1,3,7,12(20)-Cembratetraen-11-ol C20H32O 288.245315 NA MeJP NA NA +MJ024148 1,3-Dolastadien-9-ol C20H32O 288.245315 NA MeJP NA NA +MJ024149 1,4,6,10,14-Phytapentaen-3-ol C20H32O 288.245315 NA MeJP NA NA +MJ024150 1,4-Epoxy-13-dolastene C20H32O 288.245315 NA MeJP NA NA +MJ024151 1,6,10,13,15-Phytapentaen-3-ol C20H32O 288.245315 NA MeJP NA NA +MJ024152 10(14),17-Cneorubadien-4-ol C20H32O 288.245315 NA MeJP NA NA +MJ024153 10-Isopropyl-3,7,13-trimethyl-2,6,11,13-tetradecatetraen-1-al C20H32O 288.245315 NA MeJP NA NA +MJ024154 13(15),17-Spatadien-10-ol C20H32O 288.245315 NA MeJP NA NA +MJ024155 13(15),17-Sphenolobadien-4-one; 13(15)E-form C20H32O 288.245315 NA MeJP NA NA +MJ024156 13(16),14-Gnaphaladien-8-ol; 8?-form C20H32O 288.245315 NA MeJP NA NA +MJ024157 13,17-Epoxyatisane C20H32O 288.245315 NA MeJP NA NA +MJ024158 13,17-Spatadien-10-ol; 10?-form C20H32O 288.245315 NA MeJP NA NA +MJ024159 13,17-Spatadien-5-ol C20H32O 288.245315 NA MeJP NA NA +MJ024160 13-Villanoven-19-ol; ent-form C20H32O 288.245315 NA MeJP NA NA +MJ024161 13-Villanovene-17,18-diol; ent-form, 17-Deoxy C20H32O 288.245315 NA MeJP NA NA +MJ024162 14,15-Epoxy-3,11(18)-prenyleudesmadiene C20H32O 288.245315 NA MeJP NA NA +MJ024163 14,15-Epoxy-4,8(19)-xeniaphylladiene C20H32O 288.245315 NA MeJP NA NA +MJ024164 14,17-Cyclo-8,13(16)-labdadien-19-ol; 14?-form C20H32O 288.245315 NA MeJP NA NA +MJ024165 15-Beyeren-1-ol C20H32O 288.245315 NA MeJP NA NA +MJ024166 15-Beyeren-12-ol C20H32O 288.245315 NA MeJP NA NA +MJ024167 15-Beyeren-17-ol; ent-form C20H32O 288.245315 NA MeJP NA NA +MJ024168 15-Beyeren-18-ol; ent-form C20H32O 288.245315 NA MeJP NA NA +MJ024169 15-Beyeren-19-ol; ent-form C20H32O 288.245315 NA MeJP NA NA +MJ024170 15-Beyeren-3-ol C20H32O 288.245315 NA MeJP NA NA +MJ024171 15-Beyerene, 15?,16?-Epoxide C20H32O 288.245315 NA MeJP NA NA +MJ024172 15-Kauranone C20H32O 288.245315 NA MeJP NA NA +MJ024173 15-Kauren-17-ol; ent-form C20H32O 288.245315 NA MeJP NA NA +MJ024174 15-Phyllocladene; 17-Hydroxy C20H32O 288.245315 NA MeJP NA NA +MJ024175 15-Ripperten-3-ol C20H32O 288.245315 NA MeJP NA NA +MJ024176 15-Valparen-2-one; 3à H-form C20H32O 288.245315 NA MeJP NA NA +MJ024177 16,17-Epoxykaurane C20H32O 288.245315 NA MeJP NA NA +MJ024178 16-Atisen-19-ol; ent-form C20H32O 288.245315 NA MeJP NA NA +MJ024179 16-Kauren-11-ol C20H32O 288.245315 NA MeJP NA NA +MJ024180 16-Kauren-15-ol C20H32O 288.245315 NA MeJP NA NA +MJ024181 16-Kauren-18-ol; ent-form C20H32O 288.245315 NA MeJP NA NA +MJ024182 16-Kauren-19-ol; ent-form C20H32O 288.245315 NA MeJP NA NA +MJ024183 16-Kauren-3-ol C20H32O 288.245315 NA MeJP NA NA +MJ024184 16-Kauren-6-ol C20H32O 288.245315 NA MeJP NA NA +MJ024185 16-Kauren-7-ol C20H32O 288.245315 NA MeJP NA NA +MJ024186 16-Kauren-9-ol; ent-form C20H32O 288.245315 NA MeJP NA NA +MJ024187 17,18-Epoxy-8,10,13(15)-lobatriene C20H32O 288.245315 NA MeJP NA NA +MJ024188 17-Kauranal C20H32O 288.245315 NA MeJP NA NA +MJ024189 18(4?3)-Abeo-8,13-epoxy-4(19),14-labdadiene C20H32O 288.245315 NA MeJP NA NA +MJ024190 18-Trachylobanol; ent-form C20H32O 288.245315 NA MeJP NA NA +MJ024191 19-Helvifulvanol; ent-form C20H32O 288.245315 NA MeJP NA NA +MJ024192 2,12-Cyathadien-1-ol C20H32O 288.245315 NA MeJP NA NA +MJ024193 2,15-Valparadien-1-ol C20H32O 288.245315 NA MeJP NA NA +MJ024194 2,15-Valparadiene; 2?,3?-Epoxide C20H32O 288.245315 NA MeJP NA NA +MJ024195 2,4,7,11-Cembratetraen-10-ol C20H32O 288.245315 NA MeJP NA NA +MJ024196 2,6,10,13,15-Phytapentaen-1-ol C20H32O 288.245315 NA MeJP NA NA +MJ024197 2,6,10,14-Phytatetraen-1-ol, Aldehyde C20H32O 288.245315 NA MeJP NA NA +MJ024198 3(19),15-Valparadien-2-ol C20H32O 288.245315 NA MeJP NA NA +MJ024199 3,12,14-Clerodatrien-11-ol C20H32O 288.245315 NA MeJP NA NA +MJ024200 3,13(16),14-Clerodatrien-17-ol; ent-form C20H32O 288.245315 NA MeJP NA NA +MJ024201 3,15-Valparadien-2-ol C20H32O 288.245315 NA MeJP NA NA +MJ024202 3,4-Epoxy-13(15),16-sphenolobadien-18-ol, 18-Deoxy, ?17-Isomer C20H32O 288.245315 NA MeJP NA NA +MJ024203 3,7,11,15(17)-Cembratetraen-16-ol C20H32O 288.245315 NA MeJP NA NA +MJ024204 3,7,11,15-Cembratetraen-13-ol C20H32O 288.245315 NA MeJP NA NA +MJ024205 3,7,11,15-Cembratetraen-14-ol C20H32O 288.245315 NA MeJP NA NA +MJ024206 3,7,11,15-Cembratetraen-19-ol C20H32O 288.245315 NA MeJP NA NA +MJ024207 3,7,11,15-Cembratetraen-2-ol C20H32O 288.245315 NA MeJP NA NA +MJ024208 3,7,11,15-Cembratetraene, 3S,4S-Epoxide C20H32O 288.245315 NA MeJP NA NA +MJ024209 3,7,12(18)-Dolabellatrien-13-ol C20H32O 288.245315 NA MeJP NA NA +MJ024210 3,7,12-Dolabellatrien-18-ol C20H32O 288.245315 NA MeJP NA NA +MJ024211 3,7,12-Dolabellatrien-6-ol C20H32O 288.245315 NA MeJP NA NA +MJ024212 3,7,15-Cembratrien-10-one C20H32O 288.245315 NA MeJP NA NA +MJ024213 3,7,18-Dolabellatrien-12-ol C20H32O 288.245315 NA MeJP NA NA +MJ024214 3,7,18-Dolabellatriene, 7?,8?-Epoxide C20H32O 288.245315 NA MeJP NA NA +MJ024215 3,7,18-Dolabellatriene, 3?,4?-Epoxide C20H32O 288.245315 NA MeJP NA NA +MJ024216 3,7-Cyclo-1,8,11-cembratrien-4-ol C20H32O 288.245315 NA MeJP NA NA +MJ024217 3,9,14-Pachydictyatrien-6-ol C20H32O 288.245315 NA MeJP NA NA +MJ024218 3-Trachylobanol C20H32O 288.245315 NA MeJP NA NA +MJ024219 3-Virgen-18-one C20H32O 288.245315 NA MeJP NA NA +MJ024220 4(20),11,13-Prenyleudesmatrien-15-ol C20H32O 288.245315 NA MeJP NA NA +MJ024221 4,10-Epoxy-2,7,11-cembratriene C20H32O 288.245315 NA MeJP NA NA +MJ024222 4,5-Epoxy-8(19),14-xeniaphylladiene C20H32O 288.245315 NA MeJP NA NA +MJ024223 4,8(19),13-Xeniaphyllatrien-15-ol C20H32O 288.245315 NA MeJP NA NA +MJ024224 4,8(19),14-Xeniaphyllatrien-13-ol C20H32O 288.245315 NA MeJP NA NA +MJ024225 4,8,18-Dolabellatrien-16-ol C20H32O 288.245315 NA MeJP NA NA +MJ024226 4,8,18-Dolabellatrien-3-ol C20H32O 288.245315 NA MeJP NA NA +MJ024227 5,15-Rosadiene-11-ol; 11?-form C20H32O 288.245315 NA MeJP NA NA +MJ024228 5-Abieten-7-one C20H32O 288.245315 NA MeJP NA NA +MJ024229 5-Neoverrucosanol, 5-Ketone C20H32O 288.245315 NA MeJP NA NA +MJ024230 6,8(17),14-Labdatrien-13-ol C20H32O 288.245315 NA MeJP NA NA +MJ024231 6,8,14-Labdatrien-13-ol C20H32O 288.245315 NA MeJP NA NA +MJ024232 7(17),10(14)-Fusicoccadiene; 8?-Hydroxy C20H32O 288.245315 NA MeJP NA NA +MJ024233 7,12(18)-Dolabelladien-2-one; 7E-form C20H32O 288.245315 NA MeJP NA NA +MJ024234 7,12,14-Labdatrien-17-ol C20H32O 288.245315 NA MeJP NA NA +MJ024235 7,13-Abietadien-11-ol; 11?-form C20H32O 288.245315 NA MeJP NA NA +MJ024236 7,13-Abietadien-12-ol; 12?-form C20H32O 288.245315 NA MeJP NA NA +MJ024237 7,13-Abietadien-18-ol C20H32O 288.245315 NA MeJP NA NA +MJ024238 7,13-Abietadien-19-ol C20H32O 288.245315 NA MeJP NA NA +MJ024239 7,13-Abietadien-3-one, 3?-Alcohol C20H32O 288.245315 NA MeJP NA NA +MJ024240 7,13-Abietadien-5-ol C20H32O 288.245315 NA MeJP NA NA +MJ024241 7,15-Isopimaradien-14-ol; 14?-form C20H32O 288.245315 NA MeJP NA NA +MJ024242 7,15-Isopimaradien-17-ol C20H32O 288.245315 NA MeJP NA NA +MJ024243 7,15-Isopimaradien-18-ol C20H32O 288.245315 NA MeJP NA NA +MJ024244 7,15-Isopimaradien-19-ol C20H32O 288.245315 NA MeJP NA NA +MJ024245 7,15-Isopimaradien-2-ol C20H32O 288.245315 NA MeJP NA NA +MJ024246 7,15-Isopimaradien-3-ol C20H32O 288.245315 NA MeJP NA NA +MJ024247 7,15-Pimaradien-18-ol C20H32O 288.245315 NA MeJP NA NA +MJ024248 7-Trachylobanol C20H32O 288.245315 NA MeJP NA NA +MJ024249 8(14),15-Isopimaradien-1-ol C20H32O 288.245315 NA MeJP NA NA +MJ024250 8(14),15-Isopimaradien-18-ol C20H32O 288.245315 NA MeJP NA NA +MJ024251 8(14),15-Isopimaradien-19-ol C20H32O 288.245315 NA MeJP NA NA +MJ024252 8(14),15-Isopimaradien-3-ol C20H32O 288.245315 NA MeJP NA NA +MJ024253 8(14),15-Isopimaradien-7-ol; 7?-form C20H32O 288.245315 NA MeJP NA NA +MJ024254 8(14),15-Pimaradien-3-ol C20H32O 288.245315 NA MeJP NA NA +MJ024255 8(17),12,14-Labdatrien-18-ol C20H32O 288.245315 NA MeJP NA NA +MJ024256 8(17),12,14-Labdatrien-19-ol C20H32O 288.245315 NA MeJP NA NA +MJ024257 8(17),12,14-Labdatrien-3-ol C20H32O 288.245315 NA MeJP NA NA +MJ024258 8(17),12,14-Labdatrien-7-ol C20H32O 288.245315 NA MeJP NA NA +MJ024259 8(17),13(16),14-Labdatrien-7-ol C20H32O 288.245315 NA MeJP NA NA +MJ024260 8(17),13-Gnaphaladien-15-ol C20H32O 288.245315 NA MeJP NA NA +MJ024261 8,10,13(15),16-Lobatetraen-18-ol C20H32O 288.245315 NA MeJP NA NA +MJ024262 8,10,15,17-Lobatetraen-13-ol C20H32O 288.245315 NA MeJP NA NA +MJ024263 8,13-Epoxy-6,14-labdadiene C20H32O 288.245315 NA MeJP NA NA +MJ024264 8,15-Abietadien-19-ol C20H32O 288.245315 NA MeJP NA NA +MJ024265 8,15-Isopimaradien-17-ol C20H32O 288.245315 NA MeJP NA NA +MJ024266 8,15-Isopimaradien-18-oic acid; ent-form, 18-Alcohol C20H32O 288.245315 NA MeJP NA NA +MJ024267 8,15-Isopimaradien-19-ol; ent-form C20H32O 288.245315 NA MeJP NA NA +MJ024268 9(11),15-Isopimaradien-19-ol; ent-form C20H32O 288.245315 NA MeJP NA NA +MJ024269 9(11),15-Pimaradien-18-ol; ent-form C20H32O 288.245315 NA MeJP NA NA +MJ024270 9(11),15-Pimaradien-19-ol; ent-form C20H32O 288.245315 NA MeJP NA NA +MJ024271 9,15-Epoxy-7(17)-fusicoccene; 9?-form C20H32O 288.245315 NA MeJP NA NA +MJ024272 Bolenol C20H32O 288.245315 NA MeJP NA NA +MJ024273 Calyculone D C20H32O 288.245315 NA MeJP NA NA +MJ024274 Dictymal C20H32O 288.245315 NA MeJP NA NA +MJ024275 Dictyolene C20H32O 288.245315 NA MeJP NA NA +MJ024276 Dictyoxide C20H32O 288.245315 NA MeJP NA NA +MJ024277 Ethylestrenol C20H32O 288.245315 NA MeJP NA NA +MJ024278 Faraunatin C20H32O 288.245315 NA MeJP NA NA +MJ024279 Germacrexeniolone C20H32O 288.245315 NA MeJP NA NA +MJ024280 Isotrixagoyl oxide C20H32O 288.245315 NA MeJP NA NA +MJ024281 Isoverticillenol C20H32O 288.245315 NA MeJP NA NA +MJ024282 Laukarlaol C20H32O 288.245315 NA MeJP NA NA +MJ024283 Longipenol C20H32O 288.245315 NA MeJP NA NA +MJ024284 Pachydictyol A C20H32O 288.245315 NA MeJP NA NA +MJ024285 Rotalin A C20H32O 288.245315 NA MeJP NA NA +MJ024286 Sphaeropyrane C20H32O 288.245315 NA MeJP NA NA +MJ024287 Strobol C20H32O 288.245315 NA MeJP NA NA +MetaCyc02578 taxa-4(20),11-dien-5α-ol [] C20H32O1 288.245316 NA metacyc NA NA +MetaCyc02579 ent-kaur-16-en-19-ol [] C20H32O1 288.245316 NA metacyc NA NA +HMDB11618 All-trans-13,14-dihydroretinol C20H32O 288.245331 NA HMDB2010 NA NA +MJ024288 Tedisamil C19H32N2 288.256549 NA MeJP NA NA +MJ024289 Theonelladine A C19H32N2 288.256549 NA MeJP NA NA +C01523 Pregnane C21H36 288.2817 NA KEGG NA NA +C01525 R'C(R)SH CH2SR2 288.2817 NA KEGG NA NA +MJ024290 1,3,6,9-Heneicosatetraene C21H36 288.281701 NA MeJP NA NA +MJ024291 6,9,12,15-Heneicosatetraene C21H36 288.281701 NA MeJP NA NA +MJ024292 Pentadecylbenzene C21H36 288.281701 NA MeJP NA NA +HMDB05943 5b-Pregnanediol C21H36 288.281708 NA HMDB2010 NA NA +3332 human beta-casein fr, 57-61 SLVYP 288.6495 MH2+ Inhouse_peptide NA peptide +3787 NA YPVSL 288.6495 MH2+ Inhouse_peptide NA peptide +MJ024293 (3,5-Dibromo-4-hydroxyphenyl)acetic acid; Nitrile C8H5Br2NO 288.873789 NA MeJP NA NA +C03822 2,6-Dichlorophenolindophenol sodium salt C12H6Cl2NO2 288.9673 NA KEGG NA NA +C03823 2-(2-Hydroxyacyl)sphingosine C20H38NO4R 288.9673 NA KEGG NA NA +MJ024294 Thiocholine; S-Ac; iodide C7H16INOS 288.999728 NA MeJP NA NA +MJ024295 Deoxyrubroflavin; 3,3-S-Dioxide C9H11N3O4S2 289.019097 NA MeJP NA NA +MJ024296 Deoxyrubroflavin; 3,5-S-Dioxide C9H11N3O4S2 289.019097 NA MeJP NA NA +MJ024297 Quinethazone C10H12ClN3O3S 289.028789 NA MeJP NA NA +C07342 Quinethazone C10H12ClN3O3S 289.0288 NA KEGG NA NA +MJ024298 Brevinic acid C14H11NO4S 289.040878 NA MeJP NA NA +C14927 N-(6-Oxo-6H-dibenzo[b,d]pyran-2-yl)methanesulfonamide C14H11NO4S 289.0409 NA KEGG NA NA +C14965 N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)methanesulfonamide C14H11NO4S 289.0409 NA KEGG NA NA +MJ024299 Satranidazole C8H11N5O5S 289.048089 NA MeJP NA NA +C11184 PMEG C8H12N5O5P 289.0576 NA KEGG NA NA +C08478 Dianthramine C14H11NO6 289.0586 NA KEGG NA NA +MJ024300 2,2'-Iminobis[4-hydroxybenzoic acid] C14H11NO6 289.058637 NA MeJP NA NA +MJ024301 2-Benzamidobenzoic acid; 2',4,4'-Trihydroxy C14H11NO6 289.058637 NA MeJP NA NA +MJ024302 Epoxyquinomicin C; 1-Ketone C14H11NO6 289.058637 NA MeJP NA NA +MJ024303 Precatorine C14H11NO6 289.058637 NA MeJP NA NA +MJ024304 3,3'-Iminobis-1-propanol; O,O'-Dimethanesulfonyl C8H19NO6S2 289.065378 NA MeJP NA NA +MJ024305 Adrafinil C15H15NO3S 289.077264 NA MeJP NA NA +MJ024306 N-Succinyl-2-L-amino-6-oxoheptanedioate C11H15NO8 289.079766 NA MeJP NA NA +MetaCyc02580 N-succinyl-2-amino-6-ketopimelate [N-Succinyl-2-L-amino-6-oxoheptanedioate;N-succinyl-L-2-amino-6-oxoheptanedioate;succinyl-ε-keto-α-aminopimelate;] C11H15N1O8 289.079766 NA metacyc NA NA +HMDB12266 N-Succinyl-2-amino-6-ketopimelate C11H15NO8 289.079773 NA HMDB2010 NA NA +C04462 N-Succinyl-2-L-amino-6-oxoheptanedioate C11H15NO8 289.0798 NA KEGG NA NA +C05537 N-Succinyl-2-amino-6-oxopimelate C11H15NO8 289.0798 NA KEGG NA NA +MJ024307 5-(3-Azido-4-chlorophenyl)-6-ethyl-2,4-pyrimidinediamine C12H12ClN7 289.084271 NA MeJP NA NA +MJ024308 6-Chloro-2,3,4,5-tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol C16H16ClNO2 289.086956 NA MeJP NA NA +MJ024309 Nicoclonate C16H16ClNO2 289.086956 NA MeJP NA NA +MJ024310 Anhydroaspergillomarasmine A C10H15N3O7 289.090999 NA MeJP NA NA +C10631 Acronycidine C15H15NO5 289.095 NA KEGG NA NA +MJ024311 4,5,7,8-Tetramethoxyfuro[2,3-b]quinoline C15H15NO5 289.095022 NA MeJP NA NA +MJ024312 4-(5,7-Dihydroxy-2-methyl-4-oxo-4H-1-benzopyran-6-yl)-2-piperidinone C15H15NO5 289.095022 NA MeJP NA NA +MJ024313 Actiketal C15H15NO5 289.095022 NA MeJP NA NA +MJ024314 Furo[2,3-b]quinoline-4,6,7,8-tetrol; OH-form, Tetra-Me ether C15H15NO5 289.095022 NA MeJP NA NA +MJ024315 N-(3-Hydroxy-1-oxocyclopent-2-en-2-yl)-3-(4-hydroxy-3-methoxyphenyl)propenamide C15H15NO5 289.095022 NA MeJP NA NA +MJ024316 Renierol; O-Propanoyl C15H15NO5 289.095022 NA MeJP NA NA +MJ024317 Lodaxaprine C15H16ClN3O 289.098189 NA MeJP NA NA +C05253 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8- C9H15N5O6 289.1022 NA KEGG NA NA +MetaCyc02581 2-amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin [] C9H15N5O6 289.102233 NA metacyc NA NA +HMDB12144 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin C9H15N5O6 289.102234 NA HMDB2010 NA NA +MetaCyc02582 7,2'-dihydroxy-4'-methoxy-isoflavanol-quinonemethide-intermediate-2 [] C16H17O5 289.107599 NA metacyc NA NA +MetaCyc02583 7,2'-dihydroxy-4'-methoxy-isoflavanol-quinonemethide-intermediate-1 [] C16H17O5 289.107599 NA metacyc NA NA +MetaCyc02584 7,2'-dihydroxy-4'-methoxy-isoflavanol carbocation intermediate 1 [] C16H17O5 289.107599 NA metacyc NA NA +PJ000180 APC C11H19N3O4S 289.1096 NA PeJP NA NA +MJ024318 2-Phenyl-4-quinolinecarboxylic acid; 2-Propenyl ester C19H15NO2 289.110278 NA MeJP NA NA +MJ024319 Teniloxazine C16H19NO2S 289.113649 NA MeJP NA NA +MJ024320 Acitazanolast; Butyl ester C13H15N5O3 289.117489 NA MeJP NA NA +MJ024321 Dihydrorutaecarpine C18H15N3O 289.121512 NA MeJP NA NA +MJ024322 Clemeprol C17H20ClNO 289.123341 NA MeJP NA NA +MJ024323 Clofedanol C17H20ClNO 289.123341 NA MeJP NA NA +MJ024324 Butamisole C15H19N3OS 289.124882 NA MeJP NA NA +HMDB05765 Ophthalmic acid C11H19N3O6 289.12738 http://www.hmdb.ca/metabolites/HMDB05765 HMDB NA NA +HMDB05765 Ophthalmic acid C11H19N3O6 289.12738 HMDB05765 PFEM_hmdb_metabocards_official NA NA +HMDB05765 Ophthalmic acid C11H19N3O6 289.12738 NA HMDB2010 NA NA +MJ024325 Ophthalmic acid; L-L-form C11H19N3O6 289.127385 NA MeJP NA NA +MJ024326 Tabtoxin C11H19N3O6 289.127385 NA MeJP NA NA +PJ000181 AAE C11H19N3O6 289.1274 NA PeJP NA NA +C10444 3'-Demethoxypiplartine C16H19NO4 289.1314 NA KEGG NA NA +C10647 Balfourodine C16H19NO4 289.1314 NA KEGG NA NA +C10847 Benzoylecgonine C16H19NO4 289.1314 NA KEGG NA NA +C12170 Zephyranthine C16H19NO4 289.1314 NA KEGG NA NA +C12187 Pseudolycorine C16H19NO4 289.1314 NA KEGG NA NA +MJ024327 2-Methoxy-4,5-methylenedioxycinnamic acid, Piperidide C16H19NO4 289.131408 NA MeJP NA NA +MJ024328 Amabiline C16H19NO4 289.131408 NA MeJP NA NA +MJ024329 Balfourodine C16H19NO4 289.131408 NA MeJP NA NA +MJ024330 Crinamabine; 4a-Deoxy C16H19NO4 289.131408 NA MeJP NA NA +MJ024331 Dihydrolycorine C16H19NO4 289.131408 NA MeJP NA NA +MJ024332 Ecgonine, O-Benzoyl C16H19NO4 289.131408 NA MeJP NA NA +MJ024333 Foliosidine; 3'-Deoxy, 2'-ketone C16H19NO4 289.131408 NA MeJP NA NA +MJ024334 Galanthine; O2,O9-Di-de-Me C16H19NO4 289.131408 NA MeJP NA NA +MJ024335 Glycocitlone A; 8-Hydroxy C16H19NO4 289.131408 NA MeJP NA NA +MJ024336 Lunacridine, 3',4'-Didehydro, N-de-Me C16H19NO4 289.131408 NA MeJP NA NA +MJ024337 Oligophyline; 6,7-Dimethoxy, N-de-Me C16H19NO4 289.131408 NA MeJP NA NA +MJ024338 Pseudolycorine C16H19NO4 289.131408 NA MeJP NA NA +MJ024339 Ribalinine, 9-Methoxy C16H19NO4 289.131408 NA MeJP NA NA +MJ024340 Roletamide C16H19NO4 289.131408 NA MeJP NA NA +MJ024341 Scopolamine, N-De-Me C16H19NO4 289.131408 NA MeJP NA NA +MJ024342 Zephyranthine C16H19NO4 289.131408 NA MeJP NA NA +MJ024343 Balfourodinium, O8-De-Me C16H20NO4(+) 289.131408 NA MeJP NA NA +MJ024344 Ribalinium C16H20NO4(+) 289.131408 NA MeJP NA NA +MJ024345 Rutalinium C16H20NO4(+) 289.131408 NA MeJP NA NA +MJ024346 Chloropyramine C16H20ClN3 289.134575 NA MeJP NA NA +PJ000182 DR C10H19N5O5 289.1386 NA PeJP NA NA +MJ024347 Antibiotic TAN 1169A; N8-De-Me C15H19N3O3 289.142641 NA MeJP NA NA +CJpos0696 Methylglutarylcarnitine isomer [(M+H)]+ C13H24NO6 289.151975 C18rt(min)=4.7 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0697 Methylglutarylcarnitine isomer [(M+H)]+ C13H24NO6 289.151975 C18rt(min)=4.83 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0698 Adipoylcarnitine [(M+H)]+ C13H24NO6 289.151975 C18rt(min)=5.25 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0696 Methylglutarylcarnitine isomer [(M+H)]+ C13H24NO6 289.151975 C18rt(min)=4.7 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0697 Methylglutarylcarnitine isomer [(M+H)]+ C13H24NO6 289.151975 C18rt(min)=4.83 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0698 Adipoylcarnitine [(M+H)]+ C13H24NO6 289.151975 C18rt(min)=5.25 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB00552 3-Methylglutarylcarnitine C13H23NO6 289.152527 NA HMDB2010 NA NA +HMDB00552 3-Methylglutarylcarnitine C13H23NO6 289.15253 http://www.hmdb.ca/metabolites/HMDB00552 HMDB NA NA +HMDB00552 3-Methylglutarylcarnitine C13H23NO6 289.15253 HMDB00552 PFEM_hmdb_metabocards_official NA NA +MJ024348 Etazolate C14H19N5O2 289.153874 NA MeJP NA NA +MJ024349 1-Phenyl-3-(1-piperazinyl)isoquinoline C19H19N3 289.157897 NA MeJP NA NA +MJ024350 Malindine; N-De-Me C19H19N3 289.157897 NA MeJP NA NA +PJ000183 GTL C12H23N3O5 289.1638 NA PeJP NA NA +MJ024351 L-Hyoscyamine C17H23NO3 289.167793 NA MeJP NA NA +MJ024352 2-(?-Hydroxybenzyl)-3-tropanol, O3-Ac C17H23NO3 289.167793 NA MeJP NA NA +MJ024353 4-Benzyl-3,6-tropanediol, 3-Ac C17H23NO3 289.167793 NA MeJP NA NA +MJ024354 4-Hydroxyepilupinine; 11-O-Benzoyl C17H23NO3 289.167793 NA MeJP NA NA +MJ024355 Coumaperine; 3'-Methoxy, 4',5'-dihydro C17H23NO3 289.167793 NA MeJP NA NA +MJ024356 Fastunine C17H23NO3 289.167793 NA MeJP NA NA +MJ024357 Galanthamine, 1,2-Dihydro C17H23NO3 289.167793 NA MeJP NA NA +MJ024358 Irenine C17H23NO3 289.167793 NA MeJP NA NA +MJ024359 Isophellibiline; Me ether C17H23NO3 289.167793 NA MeJP NA NA +MJ024360 Littorine C17H23NO3 289.167793 NA MeJP NA NA +MJ024361 Mesembrenol C17H23NO3 289.167793 NA MeJP NA NA +MJ024362 Mesembrine C17H23NO3 289.167793 NA MeJP NA NA +MJ024363 Oridine C17H23NO3 289.167793 NA MeJP NA NA +MJ024364 Rotraxate C17H23NO3 289.167793 NA MeJP NA NA +MJ024365 Tropine tropate C17H23NO3 289.167793 NA MeJP NA NA +MetaCyc02585 L-hyoscyamine [L-tropine tropate;daturine;duboisine;] C17H23N1O3 289.167794 101-31-5 metacyc NA NA +MetaCyc02586 atropine [d1-hyoscyamine;] C17H23N1O3 289.167794 51-55-8 metacyc NA NA +C01479 Atropine C17H23NO3 289.1678 NA KEGG NA NA +C02046 L-Hyoscyamine C17H23NO3 289.1678 NA KEGG NA NA +C02047 L-Leucyl-tRNA C21H32N6O11PR 289.1678 NA KEGG NA NA +C09224 Mesembrine C17H23NO3 289.1678 NA KEGG NA NA +C10859 Knightinol C17H23NO3 289.1678 NA KEGG NA NA +C10860 Littorine C17H23NO3 289.1678 NA KEGG NA NA +C12233 Lycoramine C17H23NO3 289.1678 NA KEGG NA NA +C14884 cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3- C17H23NO3 289.1678 NA KEGG NA NA +C14908 3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H- C17H23NO3 289.1678 NA KEGG NA NA +C15081 trans-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3- C17H23NO3 289.1678 NA KEGG NA NA +MJ024366 Troxolamide C13H25N2O5 289.176346 NA MeJP NA NA +MJ024367 Alchornidine C16H23N3O2 289.179026 NA MeJP NA NA +MJ024368 Taclamine C21H23N 289.183049 NA MeJP NA NA +MJ024369 Nonaperone C18H24FNO 289.184192 NA MeJP NA NA +MJ024370 1-(Isopropylamino)-3-(1,4-ethano-1,2,3,4-tetrahydro-5-naphthyloxy)-2-propanol C18H27NO2 289.204179 NA MeJP NA NA +MJ024371 2,4,8,10,12-Tetradecapentaenoic acid, 2-Hydroxy-2-methylpropylamide C18H27NO2 289.204179 NA MeJP NA NA +MJ024372 Alifedrine C18H27NO2 289.204179 NA MeJP NA NA +MJ024373 Butaverine C18H27NO2 289.204179 NA MeJP NA NA +MJ024374 Caramiphen C18H27NO2 289.204179 NA MeJP NA NA +MJ024375 Dyclonine C18H27NO2 289.204179 NA MeJP NA NA +MJ024376 Hexacaine C18H27NO2 289.204179 NA MeJP NA NA +MJ024377 Homosedinone C18H27NO2 289.204179 NA MeJP NA NA +MJ024378 Lobinanidine C18H27NO2 289.204179 NA MeJP NA NA +MJ024379 Pentapiperide C18H27NO2 289.204179 NA MeJP NA NA +C07881 Dyclonine C18H27NO2 289.2042 NA KEGG NA NA +C07882 Transferred to D00735 C18H27NO2 289.2042 NA KEGG NA NA +C07883 Transferred to D00736 C18H27NO2 289.2042 NA KEGG NA NA +C17827 Hydroxy-gamma-sanshool C18H27NO2 289.2042 NA KEGG NA NA +CJpos0699 Octanoylcarnitine isomer [(M+H)]+ (13C2) C1313C2H30NO4 289.215775 C18rt(min)=7.5 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0699 Octanoylcarnitine isomer [(M+H)]+ (13C2) C1313C2H30NO4 289.215775 C18rt(min)=7.5 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ024380 Bencyclane C19H31NO 289.240564 NA MeJP NA NA +C14958 17a-Aza-D-homoandrost-5-en-3beta-ol C19H31NO 289.2406 NA KEGG NA NA +MJ024381 2-Amino-1,3,4-hexadecanetriol C16H35NO3 289.261693 NA MeJP NA NA +MJ024382 4-Pentadecylpyridine C20H35N 289.27695 NA MeJP NA NA +3263 b-casomorphin-5 (60-64) YPFPG 289.628 MH2+ Inhouse_peptide NA peptide +3790 NA YPTSL 289.639 MH2+ Inhouse_peptide NA peptide +3497 ACE inhibitor (from bovine as1-CN) FFVAP 289.6465 MH2+ Inhouse_peptide NA peptide +3044 inhibitor of fibrinogen and thrombin coagulation GPRGPP 289.6495 MH2+ Inhouse_peptide NA peptide +MJ024383 Silver silicate (Ag4(Si2O6)) Ag2O3Si 289.771856 NA MeJP NA NA +C17258 Calcium sulfate hemihydrate C12H23NO9S2 289.8392 NA KEGG NA NA +C17259 desulfo-Glucosinolate C7H12NO6SR 289.8392 NA KEGG NA NA +C17260 Glucosinolate C7H12NO9S2R 289.8392 NA KEGG NA NA +C17261 Thiohydroximic acid CH2NOSR 289.8392 NA KEGG NA NA +C17262 S-Alkyl-thiohydroximate C4H7N2O3SR 289.8392 NA KEGG NA NA +C17263 2-Alkylmalic acid C4H5O5R 289.8392 NA KEGG NA NA +C17264 3-Alkylmalic acid C4H5O5R 289.8392 NA KEGG NA NA +C17265 Aliphatic oxo acid C3H3O3R 289.8392 NA KEGG NA NA +C17266 Homoamino acid C3H6NO2R 289.8392 NA KEGG NA NA +MJ024384 4-Hydroxy-3-iodo-5-nitrobenzoic acid; Nitrile C7H3IN2O3 289.918835 NA MeJP NA NA +C11057 3,4,3',4'-Tetrachlorobiphenyl C12H6Cl4 289.9224 NA KEGG NA NA +C14199 2,2',5,5'-Tetrachlorobiphenyl C12H6Cl4 289.9224 NA KEGG NA NA +C14247 2,2',4,4'-Tetrachlorobiphenyl C12H6Cl4 289.9224 NA KEGG NA NA +C14360 2,2',4,5-Tetrachlorobiphenyl C12H6Cl4 289.9224 NA KEGG NA NA +C14361 2,3,4,4'-Tetrachlorobiphenyl C12H6Cl4 289.9224 NA KEGG NA NA +C14362 2,3,4,5-Tetrachlorobiphenyl C12H6Cl4 289.9224 NA KEGG NA NA +C14363 2,3,5,6-Tetrachlorobiphenyl C12H6Cl4 289.9224 NA KEGG NA NA +C14364 2,4,4',6-Tetrachlorobiphenyl C12H6Cl4 289.9224 NA KEGG NA NA +C18114 3,4,4',5-Tetrachlorobiphenyl C12H6Cl4 289.9224 NA KEGG NA NA +MJ024385 Mycenone C11H5Cl3O3 289.930427 NA MeJP NA NA +MJ024386 2,3-Dichloro-4-(3-chloro-2-nitrophenyl)pyrrole C10H5Cl3N2O2 289.94166 NA MeJP NA NA +MJ024387 2-Oxo-3-[(2-thienylacetyl)amino]-1-azetidinesulfonic acid C9H10N2O5S2 290.003112 NA MeJP NA NA +MetaCyc02587 3-phosphoglucarate [3-phosphoglucerate;] C6H11O11P1 290.003898 NA metacyc NA NA +MJ024388 4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol; 2-Ketone, Ac C14H10O3S2 290.007135 NA MeJP NA NA +MJ024389 ?-Oxo-5'-(1-propynyl)[2,2'-bithiophene]-5-acetic acid; Me ester C14H10O3S2 290.007135 NA MeJP NA NA +C17113 Furocaespitane C12H16BrClO 290.0073 NA KEGG NA NA +MJ024390 Furocaespitane C12H16BrClO 290.007305 NA MeJP NA NA +MJ024391 Isofurocaespitane C12H16BrClO 290.007305 NA MeJP NA NA +MJ024392 1-Chloro-4-[5-(1,3-pentadiynyl)-2-thienyl]-3-butyn-2-ol; Ac C15H11ClO2S 290.016827 NA MeJP NA NA +MJ024393 4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol; 2-Chloro, Ac C15H11ClO2S 290.016827 NA MeJP NA NA +MJ024394 Pterulinic acid C15H11ClO4 290.034586 NA MeJP NA NA +MJ024395 Sultiame C10H14N2O4S2 290.039498 NA MeJP NA NA +HMDB01068 D-Sedoheptulose 7-phosphate C7H15O10P 290.04028 http://www.hmdb.ca/metabolites/HMDB01068 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01068 D-Sedoheptulose 7-phosphate C7H15O10P 290.04028 http://www.hmdb.ca/metabolites/HMDB01068 HMDB NA NA +HMDB01068 D-Sedoheptulose 7-phosphate C7H15O10P 290.04028 http://www.hmdb.ca/metabolites/HMDB01068 PFEM_hmdb_metabocards_blood NA blood +HMDB01068 D-Sedoheptulose 7-phosphate C7H15O10P 290.04028 HMDB01068 PFEM_hmdb_metabocards_official NA NA +HMDB01068 D-Sedoheptulose 7-phosphate C7H15O10P 290.040283 NA HMDB2010 NA NA +MJ024396 D-Sedoheptulose 7-phosphate C7H15O10P 290.040283 NA MeJP NA NA +MJ024397 Sedoheptulose 1-phosphate C7H15O10P 290.040283 NA MeJP NA NA +MJ024398 Sedoheptulose 7-phosphate C7H15O10P 290.040283 NA MeJP NA NA +MJ024399 altro-2-Heptulose, 7-Phosphate C7H15O10P 290.040283 NA MeJP NA NA +MetaCyc02588 D-sedoheptulose-7-phosphate [D-Sedoheptulose-7-P;sedoheptulose-7-phosphate;heptulose-7-phosphate;sedoheptulose-7-P;] C7H15O10P1 290.040283 2646-35-7 metacyc NA NA +C05382 Sedoheptulose 7-phosphate C7H15O10P 290.0403 NA KEGG NA NA +C05383 Aminosugars C7H15O10P 290.0403 NA KEGG NA NA +C06222 Sedoheptulose 1-phosphate C7H15O10P 290.0403 NA KEGG NA NA +C07836 D-glycero-D-manno-Heptose 7-phosphate C7H15O10P 290.0403 NA KEGG NA NA +C07838 D-glycero-D-manno-Heptose 1-phosphate C7H15O10P 290.0403 NA KEGG NA NA +MJ024400 1,2,3,6,8-Pentahydroxyxanthone; 2-Me ether C14H10O7 290.042652 NA MeJP NA NA +MJ024401 6,7-Dihydroxy-4-oxo-3-(3-oxo-1-butenyl)-4H-1-benzopyran-5-carboxylic acid C14H10O7 290.042652 NA MeJP NA NA +MJ024402 Citromycetin C14H10O7 290.042652 NA MeJP NA NA +MJ024403 Fulvic acid; 3-Deoxy, 3,4-didehydro C14H10O7 290.042652 NA MeJP NA NA +MJ024404 Juglomycin D; 2'-Ketone C14H10O7 290.042652 NA MeJP NA NA +MJ024405 Ventilone F C14H10O7 290.042652 NA MeJP NA NA +MJ024406 Ventilone G C14H10O7 290.042652 NA MeJP NA NA +MJ024407 4-[5'-Methyl-[2,2'-bithiophen]-5-yl]-3-butyne-1,2-diol; 2-Deoxy, Ac C15H14O2S2 290.043521 NA MeJP NA NA +MJ024408 5'-(1-Butynyl)[2,2'-bithiophene]-5-methanol; Ac C15H14O2S2 290.043521 NA MeJP NA NA +MJ024409 Octicidin C5H15N4O6PS 290.044991 NA MeJP NA NA +MJ024410 Indisocin; N-Me C14H11ClN2O3 290.045819 NA MeJP NA NA +MJ024411 Fluindarol C16H9F3O2 290.055464 NA MeJP NA NA +MJ024412 4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione; 4'-Hydroxy C18H10O4 290.057908 NA MeJP NA NA +MJ024413 Formyltanshinone C18H10O4 290.057908 NA MeJP NA NA +MJ024414 Pulvinic acid; Lactone C18H10O4 290.057908 NA MeJP NA NA +MJ024415 1,7-Heptanediol; Disulfamoyl C7H18N2O6S2 290.060627 NA MeJP NA NA +MJ024416 3-Chloro-11,12-dihydroindolo[2,3-a]carbazole C18H11ClN2 290.061076 NA MeJP NA NA +C11111 Isoprothiolane C12H18O4S2 290.0646 NA KEGG NA NA +MJ024417 5-(2-Chloroethyl)uracil; 1-(2-Deoxy-?-D-ribofuranosyl) C11H15ClN2O5 290.066949 NA MeJP NA NA +MJ024418 Tetraethyl pyrophosphate C8H20O7P2 290.068426 NA MeJP NA NA +JH199 Epicatechin [M+H]+ C15H14O6 290.0777 11.82 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH199 Epicatechin [M+H]+ C15H14O6 290.0777 11.82 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH199 Epicatechin [M+H]+ C15H14O6 290.0777 11.82 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH199 Epicatechin [M+H]+ C15H14O6 290.0777 11.82 Inhousejuil11 NA NA +C03648 cis-3,4-Leucopelargonidin C15H14O6 290.079 NA KEGG NA NA +C03649 gamma-L-Glutamyl-acceptor C5H9N2O3R 290.079 NA KEGG NA NA +C05907 Luteoforol C15H14O6 290.079 NA KEGG NA NA +C06562 (+)-Catechin C15H14O6 290.079 NA KEGG NA NA +C08739 alpha-Cotonefuran C15H14O6 290.079 NA KEGG NA NA +C08742 2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran C15H14O6 290.079 NA KEGG NA NA +C09030 Ptaeroglycol C15H14O6 290.079 NA KEGG NA NA +C09511 Mikanolide C15H14O6 290.079 NA KEGG NA NA +C09727 (-)-Epicatechin C15H14O6 290.079 NA KEGG NA NA +C09728 (+)-Epicatechin C15H14O6 290.079 NA KEGG NA NA +C09736 Fisetinidol-4beta-ol C15H14O6 290.079 NA KEGG NA NA +C09787 Isoplumericin C15H14O6 290.079 NA KEGG NA NA +C09796 Plumericin C15H14O6 290.079 NA KEGG NA NA +C14079 (-)-Catechin C15H14O6 290.079 NA KEGG NA NA +C14080 Transferred to D02281 C15H14O6 290.079 NA KEGG NA NA +C17590 Catechin C15H14O6 290.079 NA KEGG NA NA +FL1DACNS0001 3,4,2',4',6'-Pentahydroxydihydrochalcone C15H14O6 290.07903 57765-66-9 knapsack NA NA +FL1DHXNS0007 Nubigenol C15H14O6 290.07903 52482-97-0 knapsack NA NA +FL1DHXNS0008 3,4,2',4',alpha-Pentahydroxydihydrochalcone C15H14O6 290.07903 222159-58-2 knapsack NA NA +FL631GNS0001 Robinetinidol C15H14O6 290.07903 528-56-3 knapsack NA NA +FL631GNS0002 ent-Robinetinidol C15H14O6 290.07903 17445-90-8 knapsack NA NA +FL633CNS0001 Mesquitol C15H14O6 290.07903 109671-55-8 knapsack NA NA +FL63A8NS0001 (2R-cis)-2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol C15H14O6 290.07903 182694-29-7 knapsack NA NA +FL63A9NS0002 (2R,3R)-3,5,7,3',5'-Pentahydroxyflavan C15H14O6 290.07903 87592-94-7 knapsack NA NA +FL63ACNS0001 (+)-Catechin;D-Catechin;(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol;Dexcyanidanol;Teafuran 30A;D-Catechol; C15H14O6 290.07903 154-23-4 knapsack NA NA +FL63ACNS0002 (-)-Epicatechin C15H14O6 290.07903 490-46-0 knapsack NA NA +FL63ACNS0003 ent-Epicatechin C15H14O6 290.07903 35323-91-2 knapsack NA NA +FL63ACNS0004 ent-Catechin C15H14O6 290.07903 18829-70-4 knapsack NA NA +FL64ACNS0001 Luteoforol C15H14O6 290.07903 24897-98-1 knapsack NA NA +FL6D1CNS0001 Fisetinidol-4beta-ol C15H14O6 290.07903 34620-73-0 knapsack NA NA +FL6D1CNS0002 Fisetinidol-4alpha-ol C15H14O6 290.07903 967-27-1 knapsack NA NA +FL6D1CNS0003 Epifisetinidol-4alpha-ol C15H14O6 290.07903 64439-33-4 knapsack NA NA +FL6D1CNS0004 ent-Fisetinidol-4beta-ol C15H14O6 290.07903 - knapsack NA NA +FL6D1CNS0005 ent-Epifisetinidol-4beta-ol C15H14O6 290.07903 967-28-2 knapsack NA NA +FL6D3ANS0001 Oritin-4beta-ol C15H14O6 290.07903 38412-78-1 knapsack NA NA +FL6D3ANS0002 Epioritin-4alpha-ol C15H14O6 290.07903 577-30-0 knapsack NA NA +FL6D3ANS0003 Epioritin-4beta-ol C15H14O6 290.07903 16854-91-4 knapsack NA NA +MJ024419 1,10:2,3-Diepoxy-4,11(13)-germacradiene-12,8:15,6-diolide C15H14O6 290.079038 NA MeJP NA NA +MJ024420 1,2,3,4,6-Dibenzofuranpentol; 1,3,4-Tri-Me ether C15H14O6 290.079038 NA MeJP NA NA +MJ024421 1,2,3,4,7-Dibenzofuranpentol; 1,3,4-Tri-Me ether C15H14O6 290.079038 NA MeJP NA NA +MJ024422 1,4,5,7-Tetrahydroxy-2-methylanthraquinone; 5,6,7,8-Tetrahydro C15H14O6 290.079038 NA MeJP NA NA +MJ024423 1,8:4,5-Diepoxy-7(11),9-germacradiene-12,8:14,6-diolide C15H14O6 290.079038 NA MeJP NA NA +MJ024424 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-hydroxy-1-propanone C15H14O6 290.079038 NA MeJP NA NA +MJ024425 2',3,4,4',5-Pentahydroxyflavan C15H14O6 290.079038 NA MeJP NA NA +MJ024426 2',3,4,4',6'-Pentahydroxydihydrochalcone C15H14O6 290.079038 NA MeJP NA NA +MJ024427 2',3,5,5',7-Pentahydroxyflavan C15H14O6 290.079038 NA MeJP NA NA +MJ024428 2,2',3',4,6-Pentahydroxybenzophenone; 2,4-Di-Me ether C15H14O6 290.079038 NA MeJP NA NA +MJ024429 2,3',4,4',5-Pentahydroxybenzophenone; 4,4'-Di-Me ether C15H14O6 290.079038 NA MeJP NA NA +MJ024430 2,3,4,6,7-Dibenzofuranpentol; 3,4,6-Tri-Me ether C15H14O6 290.079038 NA MeJP NA NA +MJ024431 2,3,4,6,7-Dibenzofuranpentol; 3,4,7-Tri-Me ether C15H14O6 290.079038 NA MeJP NA NA +MJ024432 2,3,4,7,8-Dibenzofuranpentol; 3,4,7-Tri-Me ether C15H14O6 290.079038 NA MeJP NA NA +MJ024433 2,3-Dihydro-5-hydroxy-4-hydroxymethyl-8-methoxy-2-methylnaphtho[1,2-b]furan-6,9-dione C15H14O6 290.079038 NA MeJP NA NA +MJ024434 3',4,4',5,7-Pentahydroxyflavan C15H14O6 290.079038 NA MeJP NA NA +MJ024435 3,3',4',5',7-Pentahydroxyflavan C15H14O6 290.079038 NA MeJP NA NA +MJ024436 3,3',4',5,7-Pentahydroxyflavan C15H14O6 290.079038 NA MeJP NA NA +MJ024437 3,3',4',7,8-Pentahydroxyflavan C15H14O6 290.079038 NA MeJP NA NA +MJ024438 3,3',4,4',7-Pentahydroxyflavan C15H14O6 290.079038 NA MeJP NA NA +MJ024439 3,3',4,4',8-Pentahydroxyflavan C15H14O6 290.079038 NA MeJP NA NA +MJ024440 3,3',5,5',7-Pentahydroxyflavan C15H14O6 290.079038 NA MeJP NA NA +MJ024441 3,4,4',5,7-Pentahydroxyflavan C15H14O6 290.079038 NA MeJP NA NA +MJ024442 3,4,4',7,8-Pentahydroxyflavan C15H14O6 290.079038 NA MeJP NA NA +MJ024443 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Methylene ether, 5-O-(3-methyl-2-oxobutyl) C15H14O6 290.079038 NA MeJP NA NA +MJ024444 5,8-Dihydro-7-hydroxy-4-(2-hydroxypropyl)-5,8-dioxo-2-naphthalenecarboxylic acid, 7-Me ether C15H14O6 290.079038 NA MeJP NA NA +MJ024445 5-(3,3-Dimethyloxiranyl)methoxy-6,7-methylenedioxycoumarin C15H14O6 290.079038 NA MeJP NA NA +MJ024446 5-Deoxyfusarubin C15H14O6 290.079038 NA MeJP NA NA +MJ024447 7-Hydroxy-2-oxo-2H-1-benzopyran-6-carboxylic acid; 2-Methylpropanoyl, Me ester C15H14O6 290.079038 NA MeJP NA NA +MJ024448 Altenusin C15H14O6 290.079038 NA MeJP NA NA +MJ024449 Cartorimine C15H14O6 290.079038 NA MeJP NA NA +MJ024450 Cnidimol F C15H14O6 290.079038 NA MeJP NA NA +MJ024451 Dihydromicromelin A C15H14O6 290.079038 NA MeJP NA NA +MJ024452 Epoxydon, O-(2-Hydroxy-6-methylbenzoyl) C15H14O6 290.079038 NA MeJP NA NA +MJ024453 Fonsecin C15H14O6 290.079038 NA MeJP NA NA +MJ024454 Javanicin C15H14O6 290.079038 NA MeJP NA NA +MJ024455 Juglomycin Z C15H14O6 290.079038 NA MeJP NA NA +MJ024456 Marshrin C15H14O6 290.079038 NA MeJP NA NA +MJ024457 Miscandenin; 1?,2?-Epoxide C15H14O6 290.079038 NA MeJP NA NA +MJ024458 Nubigenol C15H14O6 290.079038 NA MeJP NA NA +MJ024459 Obliquin, 5-Methoxy, 5'-hydroxy C15H14O6 290.079038 NA MeJP NA NA +MJ024460 Plumericin C15H14O6 290.079038 NA MeJP NA NA +MJ024461 Podorugatin C15H14O6 290.079038 NA MeJP NA NA +MJ024462 Ptaeroglycol C15H14O6 290.079038 NA MeJP NA NA +MJ024463 Thysanone; 1-Me ether C15H14O6 290.079038 NA MeJP NA NA +MJ024464 Ventilagol C15H14O6 290.079038 NA MeJP NA NA +MJ024465 Ventiloquinone G C15H14O6 290.079038 NA MeJP NA NA +MJ024466 cis-3,4-Leucopelargonidin C15H14O6 290.079038 NA MeJP NA NA +MJ024467 3-Deoxyleucocyanidin C15H14O6 290.079038 NA MeJP NA NA +MetaCyc02589 leucopelargonidin [cis 3,4-leucopelargonidin;] C15H14O6 290.079038 NA metacyc NA NA +MetaCyc02590 p-coumaroyltriacetate [p-coumaroyltriacetic acid;] C15H14O6 290.079038 NA metacyc NA NA +MetaCyc02591 2,3-trans-catechin [Cianidanol;catechin;] C15H14O6 290.079038 NA metacyc NA NA +MetaCyc02592 2,3-cis-epicatechin [(-)-epicatechin;] C15H14O6 290.079038 NA metacyc NA NA +HMDB01871 Epicatechin C15H14O6 290.07904 http://www.hmdb.ca/metabolites/HMDB01871 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02780 Catechin C15H14O6 290.07904 http://www.hmdb.ca/metabolites/HMDB02780 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01871 Epicatechin C15H14O6 290.07904 http://www.hmdb.ca/metabolites/HMDB01871 HMDB NA NA +HMDB02780 Catechin C15H14O6 290.07904 http://www.hmdb.ca/metabolites/HMDB02780 HMDB NA NA +HMDB01871 Epicatechin C15H14O6 290.07904 http://www.hmdb.ca/metabolites/HMDB01871 PFEM_hmdb_metabocards_blood NA blood +HMDB02780 Catechin C15H14O6 290.07904 http://www.hmdb.ca/metabolites/HMDB02780 PFEM_hmdb_metabocards_blood NA blood +HMDB01871 Epicatechin C15H14O6 290.07904 HMDB01871 PFEM_hmdb_metabocards_official NA NA +HMDB02780 Catechin C15H14O6 290.07904 HMDB02780 PFEM_hmdb_metabocards_official NA NA +HMDB01871 Epicatechin C15H14O6 290.079041 NA HMDB2010 NA NA +HMDB02780 Catechin C15H14O6 290.079041 NA HMDB2010 NA NA +JH204 Catechin [M+H]+ C15H14O6 290.0797 11.34 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH204 Catechin [M+H]+ C15H14O6 290.0797 11.34 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH204 Catechin [M+H]+ C15H14O6 290.0797 11.34 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH204 Catechin [M+H]+ C15H14O6 290.0797 11.34 Inhousejuil11 NA NA +MJ024468 N-(1H-Indol-3-ylacetyl)aspartic acid C14H14N2O5 290.090271 NA MeJP NA NA +MJ024469 Tryptophan, Na-(Carboxyacetyl) C14H14N2O5 290.090271 NA MeJP NA NA +MetaCyc02593 indole-3-acetyl-asp [indole-3-acetyl-aspartic acid;indole-3-acetyl-aspartate;] C14H14N2O5 290.090272 NA metacyc NA NA +MetaCyc02594 N2-malonyl-D-tryptophan [] C14H14N2O5 290.090272 NA metacyc NA NA +C03414 N2-Malonyl-D-tryptophan C14H14N2O5 290.0903 NA KEGG NA NA +MJ024470 N-?-Glutamylcysteine; L-L-form, S-(2-Propenyl) C11H18N2O5S 290.093642 NA MeJP NA NA +MJ024471 N-?-Glutamylcysteine; L-L-form, S-(E)-1-Propenyl C11H18N2O5S 290.093642 NA MeJP NA NA +MJ024472 N-?-Glutamylcysteine; L-L-form, S-(Z)-1-Propenyl C11H18N2O5S 290.093642 NA MeJP NA NA +MJ024473 2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol, 4'-Deoxy, 3-ketone C19H14O3 290.094294 NA MeJP NA NA +C14213 Aurin C19H14O3 290.0943 NA KEGG NA NA +MJ024474 3,6-Bis[(aminooxy)methyl]-2,5-piperazinedione, 1,4-Biscarbamoyl C8H14N6O6 290.097482 NA MeJP NA NA +MJ024475 4-Hydroxy-2,5-dimethyl-3(2H)-furanone, 4-O-?-D-Glucopyranoside C12H18O8 290.100167 NA MeJP NA NA +MJ024476 5,6-Dihydro-4-hydroxy-6-methyl-2H-pyran-2-one, O-?-D-Glucopyranoside C12H18O8 290.100167 NA MeJP NA NA +MJ024477 5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one, O-?-D-Glucopyranoside C12H18O8 290.100167 NA MeJP NA NA +MJ024478 5-(1-Hydroxyethyl)-2(5H)-furanone, O-?-D-Glucopyranoside C12H18O8 290.100167 NA MeJP NA NA +MJ024479 4-Amino-2-hydroxybenzoic acid; Compd. with isonicotinoylhydrazide C13H14N4O4 290.101504 NA MeJP NA NA +MJ024480 10H-Indolo[3,2-b]quinoline-11-carboxylic acid; 5H-form, N-Me, Me ester C18H14N2O2 290.105527 NA MeJP NA NA +MJ024481 3,6-Dibenzylidene-2,5-piperazinedione C18H14N2O2 290.105527 NA MeJP NA NA +MJ024482 5-Methyl-5-(3-phenanthrenyl)-2,4-imidazolidinedione C18H14N2O2 290.105527 NA MeJP NA NA +MJ024483 Flavocarpine C18H14N2O2 290.105527 NA MeJP NA NA +MJ024484 Vincarpine C18H14N2O2 290.105527 NA MeJP NA NA +HMDB12267 N-Succinyl-L,L-2,6-diaminopimelate C11H18N2O7 290.111389 NA HMDB2010 NA NA +C04421 N-Succinyl-LL-2,6-diaminoheptanedioate C11H18N2O7 290.1114 NA KEGG NA NA +C04422 N6-Alkylaminopurine-7-beta-D-glucoside C11H14N5O5R 290.1114 NA KEGG NA NA +MJ024485 N-Succinyl-LL-2,6-diaminoheptanedioate C11H18N2O7 290.1114 NA MeJP NA NA +MJ024486 Rhizolotine C11H18N2O7 290.1114 NA MeJP NA NA +MetaCyc02595 N-succinyl-L,L-2,6-diaminopimelate [N-succinyl-L-2,6-diaminoheptanedioate;N-succinyl-LL-2,6-diaminoheptanedioate;L,L-SDAP;] C11H18N2O7 290.111401 26605-36-7 metacyc NA NA +C09016 5-O-Methylvisamminol C16H18O5 290.1154 NA KEGG NA NA +MJ024487 1-(2,4-Dihydroxy-3-methylphenyl)-3-(2,4,5-trihydroxyphenyl)propane C16H18O5 290.115423 NA MeJP NA NA +MJ024488 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propanol, 3''-Me ether C16H18O5 290.115423 NA MeJP NA NA +MJ024489 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Di-Me ether C16H18O5 290.115423 NA MeJP NA NA +MJ024490 15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 15-Aldehyde, Me ester C16H18O5 290.115423 NA MeJP NA NA +MJ024491 17-Hydroxy-13,14,15,16-tetranor-7,9(11)-labdadiene-12,17:19,6-diolide C16H18O5 290.115423 NA MeJP NA NA +MJ024492 2,3,8,9-Tetrahydroxycadalen-14-al; 3-Me ether C16H18O5 290.115423 NA MeJP NA NA +MJ024493 2-(1,4-Dihydroxy-4-methylpentyl)-5,8-dihydroxy-1,4-naphthoquinone, 1'-Deoxy C16H18O5 290.115423 NA MeJP NA NA +MJ024494 3-Hydroxy-1(10),4,11(13)-germacratriene-12,8:15,6-diolide, Me ether C16H18O5 290.115423 NA MeJP NA NA +MJ024495 3-Hydroxy-13,14,15,16-tetranor-7,9(11)-labdadiene-12,17;19,6-diolide C16H18O5 290.115423 NA MeJP NA NA +MJ024496 5,6,7-Trihydroxy-2-methyl-4H-1-benzopyran-4-one; 6-O-(3-Methyl-2-butenyl), 7-Me ether C16H18O5 290.115423 NA MeJP NA NA +MJ024497 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether, 8-O-(3-methyl-2-butenyl) C16H18O5 290.115423 NA MeJP NA NA +MJ024498 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5,8-Di-Me ether, 7-O-(3-methyl-2-butenyl) C16H18O5 290.115423 NA MeJP NA NA +MJ024499 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7,8-Di-Me ether, 5-O-(3-methyl-2-butenyl) C16H18O5 290.115423 NA MeJP NA NA +MJ024500 6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl), 6,8-di-Me ether C16H18O5 290.115423 NA MeJP NA NA +MJ024501 6-Hydroxytremetone, 3'-Acetoxy, Me ether C16H18O5 290.115423 NA MeJP NA NA +MJ024502 6-Methoxymurraol C16H18O5 290.115423 NA MeJP NA NA +MJ024503 7-Hydroxy-6-hydroxyacetyl-2,2-dimethyl-2H-benzopyran; 7-Me ether, 2'-Ac C16H18O5 290.115423 NA MeJP NA NA +MJ024504 Citrusal; 5-Methoxy C16H18O5 290.115423 NA MeJP NA NA +MJ024505 Curvularin, 10,11-Didehydro(E-) C16H18O5 290.115423 NA MeJP NA NA +MJ024506 Curvularin, 10,11-Didehydro(Z-) C16H18O5 290.115423 NA MeJP NA NA +MJ024507 Fissohamione C16H18O5 290.115423 NA MeJP NA NA +MJ024508 Fraxinellone; 12?-Acetoxy C16H18O5 290.115423 NA MeJP NA NA +MJ024509 Glaziovianol C16H18O5 290.115423 NA MeJP NA NA +MJ024510 Heteropeucenin; ?3',4'-Isomer, 2'-hydroxy, 7-Me ether C16H18O5 290.115423 NA MeJP NA NA +MJ024511 Murrangatin, 1'-Me ether, diastereomer(1) C16H18O5 290.115423 NA MeJP NA NA +MJ024512 Murrangatin, 1'-Me ether, diastereomer(2) C16H18O5 290.115423 NA MeJP NA NA +MJ024513 Murrangatin, 1'-Me ether, diastereomer(3) C16H18O5 290.115423 NA MeJP NA NA +MJ024514 Murrangatin, 1'-Me ether, diastereomer(4) C16H18O5 290.115423 NA MeJP NA NA +MJ024515 Mycoepoxydiene C16H18O5 290.115423 NA MeJP NA NA +MJ024516 Omphamurin C16H18O5 290.115423 NA MeJP NA NA +MJ024517 Resorcylide C16H18O5 290.115423 NA MeJP NA NA +MJ024518 Sibiricin C16H18O5 290.115423 NA MeJP NA NA +MJ024519 Toddalenol C16H18O5 290.115423 NA MeJP NA NA +MJ024520 Toddalolactone; 3'-Deoxy, 2'-Ketone C16H18O5 290.115423 NA MeJP NA NA +MJ024521 Toddalolactone; 3'-Deoxy, 3',4'-didehydro C16H18O5 290.115423 NA MeJP NA NA +MJ024522 Vallapin; 15-Hydroxy C16H18O5 290.115423 NA MeJP NA NA +MJ024523 Visamminol, 5-Me ether C16H18O5 290.115423 NA MeJP NA NA +MJ024524 Carbinoxamine C16H19ClN2O 290.11859 NA MeJP NA NA +C06871 Carbinoxamine C16H19ClN2O 290.1186 NA KEGG NA NA +C03406 N-(L-Arginino)succinate C10H18N4O6 290.1226 NA KEGG NA NA +C03407 N-Acetyl-beta-endorphin C10H18N4O6 290.1226 NA KEGG NA NA +PJ000184 GSQ C10H18N4O6 290.1226 NA PeJP NA NA +HMDB00052 Argininosuccinic acid C10H18N4O6 290.12262 http://www.hmdb.ca/metabolites/HMDB00052 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00052 Argininosuccinic acid C10H18N4O6 290.12262 http://www.hmdb.ca/metabolites/HMDB00052 HMDB NA NA +HMDB00052 Argininosuccinic acid C10H18N4O6 290.12262 Aromatic/Heterocyclic glycine conjugates ;SYN:((2-hydroxybenzoyl)amino)acetic acid; (2-Hydroxybenzoyl)glycine; 2-Hydroxybenzoylglycine; 2-Hydroxyhippurate; 2-Hydroxyhippuric acid; 2-hydroxybenzoylaminoacetate; 2-hydroxybenzoylaminoacetic acid; N-(2-Hydroxybenzoyl)-glycine; N-Salicyloylglycine; N-o-Hydroxybenzoylglycine; Salicylglycine; Salicyloylglycine; Salicylurate; Salicyluric acid; [(2-Hydroxybenzoyl)amino]acetate; [(2-Hydroxybenzoyl)amino]acetic acid; o-Hydroxyhippurate; o-Hydroxyhippuric acid; o-hydroxy-Hippurate; o-hydroxy-Hippuric acid; ortho-Hydroxyhippurate; ortho-Hydroxyhippuric acidH2Blood; Urine Inhouse_peptide NA peptide +HMDB00052 Argininosuccinic acid C10H18N4O6 290.12262 http://www.hmdb.ca/metabolites/HMDB00052 PFEM_hmdb_metabocards_blood NA blood +HMDB00052 Argininosuccinic acid C10H18N4O6 290.12262 HMDB00052 PFEM_hmdb_metabocards_official NA NA +HMDB00052 Argininosuccinic acid C10H18N4O6 290.12262 NA HMDB2010 NA NA +MJ024525 N-(L-Arginino)succinate C10H18N4O6 290.122634 NA MeJP NA NA +MJ024526 Arginine, N2-(3-Carboxy-2-hydroxypropanoyl) C10H18N4O6 290.122634 NA MeJP NA NA +MJ024527 Arginine, N2-(3-Carboxy-3-hydroxypropanoyl) C10H18N4O6 290.122634 NA MeJP NA NA +MJ024528 Argininosuccinic acid C10H18N4O6 290.122634 NA MeJP NA NA +MJ024529 Glutaminylserylglycine; L-L-form C10H18N4O6 290.122634 NA MeJP NA NA +MetaCyc02596 L-arginino-succinate [N-(L-arginino)-succinate;arginino-succinate;] C10H18N4O6 290.122634 NA metacyc NA NA +PJ000185 GGGT C10H18N4O6 290.1227 NA PeJP NA NA +HMDB06867 S-(3-Methylbutanoyl)-dihydrolipoamide-E C13H24NO2S2 290.12485 http://www.hmdb.ca/metabolites/HMDB06867 HMDB NA NA +HMDB06869 S-(2-Methylbutanoyl)-dihydrolipoamide-E C13H24NO2S2 290.12485 http://www.hmdb.ca/metabolites/HMDB06869 HMDB NA NA +HMDB06867 S-(3-Methylbutanoyl)-dihydrolipoamide-E C13H24NO2S2 290.12485 HMDB06867 PFEM_hmdb_metabocards_official NA NA +HMDB06869 S-(2-Methylbutanoyl)-dihydrolipoamide-E C13H24NO2S2 290.12485 HMDB06869 PFEM_hmdb_metabocards_official NA NA +MJ024530 Tomaymycin; 11-O-De-Me C15H18N2O4 290.126657 NA MeJP NA NA +MJ024531 2-(4-Methyl-1,3-pentadienyl)anthraquinone; 1',2'-Dihydro C20H18O2 290.130679 NA MeJP NA NA +MJ024532 Furodysin, 14-(Acetylmercapto) C17H22O2S 290.13405 NA MeJP NA NA +MJ024533 Furodysinin, 14-(Acetylthio) C17H22O2S 290.13405 NA MeJP NA NA +MJ024534 D-glycero-L-manno-Heptose; ?-Furanose-form, 2,3:6,7-Di-O-isopropylidene C13H22O7 290.136553 NA MeJP NA NA +MJ024535 Sarcobiose C13H22O7 290.136553 NA MeJP NA NA +MJ024536 Trimethoprim C14H18N4O3 290.13789 NA MeJP NA NA +C01965 Trimethoprim C14H18N4O3 290.1379 NA KEGG NA NA +C10896 Benlate C14H18N4O3 290.1379 NA KEGG NA NA +C10734 Pteleatine C16H20NO4 290.1392 NA KEGG NA NA +C10735 Ribalinium C16H20NO4 290.1392 NA KEGG NA NA +MJ024537 Nitracidomycin B C12H22N2O6 290.147786 NA MeJP NA NA +C09492 Laurenobiolide C17H22O4 290.1518 NA KEGG NA NA +C09564 Tulipinolide C17H22O4 290.1518 NA KEGG NA NA +C09566 epi-Tulipinolide C17H22O4 290.1518 NA KEGG NA NA +C17746 1-Dehydro-[6]-gingerdione C17H22O4 290.1518 NA KEGG NA NA +MJ024538 1,10-Epoxyfuranoeremophilan-3-ol, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024539 1,10-Epoxyfuranoeremophilan-6-ol, 6-Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024540 1,13,14-Trihydroxy-8,11,13-podocarpatrien-7-one C17H22O4 290.151809 NA MeJP NA NA +MJ024541 1-(5,7-Dihydroxy-2,2,6-trimethyl-2H-1-benzopyran-8-yl)-2-methyl-1-propanone; 3'-Methyl C17H22O4 290.151809 NA MeJP NA NA +MJ024542 1-(5,7-Dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-2-methyl-1-butanone; 5-Me ether C17H22O4 290.151809 NA MeJP NA NA +MJ024543 1-(5,7-Dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-methyl-1-butanone; 5-Me ether C17H22O4 290.151809 NA MeJP NA NA +MJ024544 1-Hydroxy-3,11(13)-eudesmadien-12,6-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024545 1-Hydroxy-8-oxo-6,9-eremophiladien-12-al, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024546 1-Hydroxy-9,11-germacradien-15,6-olide, 4,5-Didehydro, 1-Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024547 12-Hydroxy-1-oxo-4,10(14)-bicyclogermacradien-15-al, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024548 14-Hydroxy-4(15),9-guaiadien-12,6-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024549 15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024550 15-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024551 15-Hydroxy-3,10(14)-guaiadien-12,8-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024552 15-Hydroxy-3,11(13)-eudesmadien-12,8-olide, 15-Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024553 2,3-Epoxy-14-hydroxy-5-africanen-4-one, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024554 2-Hydroxy-2,5,10-bisabolatriene-1,4-dione; Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024555 2-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024556 2-Hydroxy-4,11(13)-eudesmadien-12,6-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024557 3,12,13-Trihydroxy-8,11,13-podocarpatrien-7-one C17H22O4 290.151809 NA MeJP NA NA +MJ024558 3,8-Dihydroxy-9,15-heptadecadiene-11,13-diynoic acid C17H22O4 290.151809 NA MeJP NA NA +MJ024559 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 4'-O-(3-Methyl-2-butenyl), 3'-Me ether, 1-Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024560 3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxybenzoic acid, ?5'-Isomer, 7'-hydroperoxy, 1-aldehyde C17H22O4 290.151809 NA MeJP NA NA +MJ024561 3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxybenzoic acid, ?7'-Isomer, 6'-hydroperoxy, 1-aldehyde C17H22O4 290.151809 NA MeJP NA NA +MJ024562 3-Heptyl-6,8-dihydroxy-1H-2-benzopyran-1-one; 6-Me ether C17H22O4 290.151809 NA MeJP NA NA +MJ024563 3-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024564 3-Hydroxy-1(5),11(13)-guaiadien-12,8-olide, ?5,6 isomer, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024565 3-Hydroxy-1(5),11(13)-guaiadien-12,8-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024566 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024567 3-Hydroxy-4,11(13)-eudesmadien-12,8-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024568 3-Hydroxy-4,11(13)-guaiadien-12,8-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024569 3-Hydroxy-4,7(11)-amorphadien-12,8-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024570 3-Hydroxy-4,9,11(13)-cadinatrien-12-oic acid, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024571 3-Hydroxy-4,9,11(13)-muurolatrien-12-oic acid, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024572 3-Hydroxy-5,11(13)-ivaxallaradien-12-oic acid; Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024573 4-Hydroxy-1(10),11(13)-guaiadien-12,8-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024574 5-Hydroxy-1(10),4(15),11(13)-germacratrien-12,8-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024575 5-Hydroxy-2,5,10-bisabolatriene-1,4-dione, 5-Deoxy, 2-acetoxy C17H22O4 290.151809 NA MeJP NA NA +MJ024576 6,11-Epoxy-15-hydroxy-5,10-pinguisadien-3-one; Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024577 6-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024578 6-Hydroxy-4,11(13)-eudesmadien-12,8-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024579 6-Hydroxyfuranoeremophilan-9-one, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024580 7,13-Dioxo-8(14)-podocarpen-18-oic acid C17H22O4 290.151809 NA MeJP NA NA +MJ024581 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024582 8-Hydroxy-1,3,11(13)-elematrien-12,6-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024583 9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024584 9-Hydroxy-4,11(13)-eudesmadien-12,6-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024585 9-Hydroxy-4,11(13)-eudesmadien-12,8-olide, Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024586 ?-Cannabispiranol; 4-Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024587 Alliodorol, Carboxylic acid, Me ether C17H22O4 290.151809 NA MeJP NA NA +MJ024588 Clavirin I C17H22O4 290.151809 NA MeJP NA NA +MJ024589 Furanoeremophilane-1,6-diol, 1-Ketone, 6-Ac C17H22O4 290.151809 NA MeJP NA NA +MJ024590 Gingerdiones; [6]Gingerdione, 1',2'-Didehydro C17H22O4 290.151809 NA MeJP NA NA +MJ024591 Isoplagiochilide; 15-Acetoxy C17H22O4 290.151809 NA MeJP NA NA +MJ024592 Kushequinone A C17H22O4 290.151809 NA MeJP NA NA +MJ024593 Oudemansin; Oudemansin A C17H22O4 290.151809 NA MeJP NA NA +MJ024594 Subexpinnatin C C17H22O4 290.151809 NA MeJP NA NA +MJ024595 Tavacbutenolide 1 C17H22O4 290.151809 NA MeJP NA NA +MJ024596 Tavacbutenolide 2 C17H22O4 290.151809 NA MeJP NA NA +C14410 Phenbenzamine hydrochloride C17H22N2 290.155 NA KEGG NA NA +CJpos0700 Methylglutarylcarnitine isomer [(M+H)]+ (13C) C1213CH24NO6 290.155375 C18rt(min)=4.7 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0701 Methylglutarylcarnitine isomer [(M+H)]+ (13C) C1213CH24NO6 290.155375 C18rt(min)=4.83 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0702 Adipoylcarnitine [(M+H)]+ (13C) C1213CH24NO6 290.155375 C18rt(min)=5.25 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0700 Methylglutarylcarnitine isomer [(M+H)]+ (13C) C1213CH24NO6 290.155375 C18rt(min)=4.7 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0701 Methylglutarylcarnitine isomer [(M+H)]+ (13C) C1213CH24NO6 290.155375 C18rt(min)=4.83 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0702 Adipoylcarnitine [(M+H)]+ (13C) C1213CH24NO6 290.155375 C18rt(min)=5.25 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +PJ000186 GSK C11H22N4O5 290.159 NA PeJP NA NA +MJ024597 Inthomycin C16H22N2O3 290.163042 NA MeJP NA NA +MJ024598 Procaterol C16H22N2O3 290.163042 NA MeJP NA NA +MJ024599 1-Octen-3-ol, O-?-D-Glucopyranoside C14H26O6 290.172938 NA MeJP NA NA +MJ024600 Cartazolate C15H22N4O2 290.174275 NA MeJP NA NA +MJ024601 Aristolasene C20H22N2 290.178298 NA MeJP NA NA +MJ024602 Azatadine C20H22N2 290.178298 NA MeJP NA NA +MJ024603 Erizepine C20H22N2 290.178298 NA MeJP NA NA +MJ024604 C-Isodihydrotoxiferine I C20H23N2(+) 290.178298 NA MeJP NA NA +C07774 Azatadine C20H22N2 290.1783 NA KEGG NA NA +C07775 Transferred to D00662 C20H22N2 290.1783 NA KEGG NA NA +C07776 Transferred to D00663 C20H22N2 290.1783 NA KEGG NA NA +MJ024605 Azabuperone C17H23FN2O 290.179441 NA MeJP NA NA +MJ024606 1-Silphinene-3,5-diol; 3-Ketone, 5-propanoyl C18H26O3 290.188194 NA MeJP NA NA +MJ024607 12-Hydroxy-6,9,11-dodecatrienoic acid, 1,3-Hexadienyl ether(Z,Z-) C18H26O3 290.188194 NA MeJP NA NA +MJ024608 14,15-Dinor-13-oxo-8(17),11-labdadien-19-oic acid C18H26O3 290.188194 NA MeJP NA NA +MJ024609 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid, 2-Methylpropyl ester C18H26O3 290.188194 NA MeJP NA NA +MJ024610 3,19-Dinor-4-oxo-2,3-seco-15-beyeren-2-oic acid; ent-form C18H26O3 290.188194 NA MeJP NA NA +MJ024611 3,8-Calamenenediol, 3-Me ether, 8-Ac C18H26O3 290.188194 NA MeJP NA NA +MJ024612 3-(4-Hydroxyphenyl)-2-propenoic acid, Me ether, 2-ethylhexyl ester C18H26O3 290.188194 NA MeJP NA NA +MJ024613 4,17-Dihydroxyestr-4-en-3-one; 17?-form C18H26O3 290.188194 NA MeJP NA NA +MJ024614 4-Oxo-9,11,13,15-octadecatetraenoic acid C18H26O3 290.188194 NA MeJP NA NA +MJ024615 5-Hydroxy-2-nonyl-4H-1-benzopyran-4-one; 2,3-Dihydro C18H26O3 290.188194 NA MeJP NA NA +MJ024616 5-Octadecene-7,9-diynoic acid, 5?,6?-Epoxide C18H26O3 290.188194 NA MeJP NA NA +MJ024617 8,11,13-Podocarpatriene-1,13,14-triol, 13-Me ether C18H26O3 290.188194 NA MeJP NA NA +MJ024618 8-Hydroxy-13-octadecene-9,11-diynoic acid C18H26O3 290.188194 NA MeJP NA NA +MJ024619 8-Hydroxy-17-octadecene-10,12-diynoic acid C18H26O3 290.188194 NA MeJP NA NA +MJ024620 8-Hydroxy-17-octadecene-9,11-diynoic acid C18H26O3 290.188194 NA MeJP NA NA +MJ024621 8-Oxo-9,11-octadecadiynoic acid C18H26O3 290.188194 NA MeJP NA NA +MJ024622 9,17-Octadecadiene-12,14-diyne-1,11,16-triol C18H26O3 290.188194 NA MeJP NA NA +MJ024623 Antibiotic ML 236A; 8-Deoxy C18H26O3 290.188194 NA MeJP NA NA +MJ024624 Chromomoric acid C C18H26O3 290.188194 NA MeJP NA NA +MJ024625 Ecklonialactone A C18H26O3 290.188194 NA MeJP NA NA +MJ024626 Inocoterone; Ac C18H26O3 290.188194 NA MeJP NA NA +MJ024627 Luffarin Z C18H26O3 290.188194 NA MeJP NA NA +MJ024628 Obtusilactone; (E)-Isomer, Me ether, 11',12'-didehydro C18H26O3 290.188194 NA MeJP NA NA +MJ024629 Tanzawaic acid C C18H26O3 290.188194 NA MeJP NA NA +MJ024630 Trisporic acid C; Deoxy C18H26O3 290.188194 NA MeJP NA NA +MJ024631 Trisporol B C18H26O3 290.188194 NA MeJP NA NA +C14043 ML-236C C18H26O3 290.1882 NA KEGG NA NA +EUR471 Thromboxane B2 F4 F4 290.190125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR471 Thromboxane B2 F4 NA 290.190125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR471 Thromboxane B2 F4 F4 290.190125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR471 Thromboxane B2 F4 NA 290.190125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR471 Thromboxane B2 F4 F4 290.190125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR471 Thromboxane B2 F4 NA 290.190125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR471 Thromboxane B2 F4 F4 290.190125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR471 Thromboxane B2 F4 F4 290.190125 standards wishlist analysés sur QTOF HMDB NA NA +EUR471 Thromboxane B2 F4 F4 290.190125 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR471 Thromboxane B2 F4 NA 290.190125 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR471 Thromboxane B2 F4 F4 290.190125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR471 Thromboxane B2 F4 F4 290.190125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR477 15ketoProstaglandinF2? F4 F4 290.192225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR477 15ketoProstaglandinF2? F4 NA 290.192225 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR477 15ketoProstaglandinF2? F4 F4 290.192225 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR477 15ketoProstaglandinF2? F4 NA 290.192225 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR477 15ketoProstaglandinF2? F4 F4 290.192225 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR477 15ketoProstaglandinF2? F4 NA 290.192225 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR477 15ketoProstaglandinF2? F4 F4 290.192225 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR477 15ketoProstaglandinF2? F4 F4 290.192225 standards wishlist analysés sur QTOF HMDB NA NA +EUR477 15ketoProstaglandinF2? F4 F4 290.192225 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR477 15ketoProstaglandinF2? F4 NA 290.192225 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR477 15ketoProstaglandinF2? F4 F4 290.192225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR477 15ketoProstaglandinF2? F4 F4 290.192225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ024632 Gentamine C1a C12H26N4O4 290.195405 NA MeJP NA NA +MJ024633 Sannamycin E; N-De-Me C12H26N4O4 290.195405 NA MeJP NA NA +C16573 3'-Hydroxyropivacaine C17H26N2O2 290.1994 NA KEGG NA NA +C16574 4'-Hydroxyropivacaine C17H26N2O2 290.1994 NA KEGG NA NA +MJ024634 N,N,N'-Trimethyl-N'-(4-hydroxycinnamoyl)putrescine, Me ether C17H26N2O2 290.199428 NA MeJP NA NA +MJ024635 Paridocaine C17H26N2O2 290.199428 NA MeJP NA NA +MJ024636 3-Docosene-1,11,13,15,21-pentayne, Dihydro C22H26 290.20345 NA MeJP NA NA +C07546 Succinylcholine C14H30N2O4 290.2206 NA KEGG NA NA +EUR461 Dehydrotestosterone glucuronide F6 F6 290.222575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR461 Dehydrotestosterone glucuronide F6 NA 290.222575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR461 Dehydrotestosterone glucuronide F6 F6 290.222575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR461 Dehydrotestosterone glucuronide F6 NA 290.222575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR461 Dehydrotestosterone glucuronide F6 F6 290.222575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR461 Dehydrotestosterone glucuronide F6 NA 290.222575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR461 Dehydrotestosterone glucuronide F6 F6 290.222575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR461 Dehydrotestosterone glucuronide F6 F6 290.222575 standards wishlist analysés sur QTOF HMDB NA NA +EUR461 Dehydrotestosterone glucuronide F6 F6 290.222575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR461 Dehydrotestosterone glucuronide F6 NA 290.222575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR461 Dehydrotestosterone glucuronide F6 F6 290.222575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR461 Dehydrotestosterone glucuronide F6 F6 290.222575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0703 Androsterone glucuronide [(M+H)-(C6H8O6)]+ C19H31O2 290.224075 C18rt(min)=8.7 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0703 Androsterone glucuronide [(M+H)-(C6H8O6)]+ C19H31O2 290.224075 C18rt(min)=8.7 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB00031 Androsterone C19H30O2 290.224579 NA HMDB2010 NA NA +HMDB00365 Epiandrosterone C19H30O2 290.224579 NA HMDB2010 NA NA +HMDB00490 Etiocholanolone C19H30O2 290.224579 NA HMDB2010 NA NA +HMDB00546 Epietiocholanolone C19H30O2 290.224579 NA HMDB2010 NA NA +HMDB02961 Dihydrotestosterone C19H30O2 290.224579 NA HMDB2010 NA NA +HMDB03818 Androst-5-ene-3b,17b-diol C19H30O2 290.224579 NA HMDB2010 NA NA +HMDB05849 4-Androstenediol C19H30O2 290.224579 NA HMDB2010 NA NA +HMDB06770 5b-Dihydrotestosterone C19H30O2 290.224579 NA HMDB2010 NA NA +HMDB00031 Androsterone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB00031 PFEM_hmdb_metabocards_urine NA urine +EUR099 Dihydrotestosterone C19H30O2 290.22458 Wishlist PFEM_hmdb_metabocards_urine NA urine +HMDB00031 Androsterone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB00031 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00365 Epiandrosterone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB00365 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00490 Etiocholanolone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB00490 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00546 Epietiocholanolone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB00546 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02961 Dihydrotestosterone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB02961 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR099 Dihydrotestosterone C19H30O2 290.22458 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00031 Androsterone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB00031 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR099 Dihydrotestosterone C19H30O2 290.22458 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00031 Androsterone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB00031 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR099 Dihydrotestosterone C19H30O2 290.22458 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00031 Androsterone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB00031 HMDB NA NA +HMDB00365 Epiandrosterone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB00365 HMDB NA NA +HMDB00490 Etiocholanolone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB00490 HMDB NA NA +HMDB00546 Epietiocholanolone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB00546 HMDB NA NA +HMDB02961 Dihydrotestosterone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB02961 HMDB NA NA +HMDB03818 Androst-5-ene-3beta,17beta-diol C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB03818 HMDB NA NA +HMDB05849 4-Androstenediol C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB05849 HMDB NA NA +HMDB06770 5beta-Dihydrotestosterone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB06770 HMDB NA NA +EUR099 Dihydrotestosterone C19H30O2 290.22458 Wishlist HMDB NA NA +EUR099 Dihydrotestosterone C19H30O2 290.22458 Wishlist Inhouse_PFEM NA NA +MJ024637 5alpha-Androstane-3beta,17beta-diol C19H30O2 290.22458 NA MeJP NA NA +MJ024638 17beta-Hydroxyandrostan-3-one C19H30O2 290.22458 NA MeJP NA NA +MJ024639 3alpha-Hydroxy-5beta-androstan-17-one C19H30O2 290.22458 NA MeJP NA NA +MJ024640 5beta-Dihydrotestosterone C19H30O2 290.22458 NA MeJP NA NA +MJ024641 Androsterone C19H30O2 290.22458 NA MeJP NA NA +MJ024642 1-Hydroxy-2,5,10-nonadecatrien-4-one, Aldehyde C19H30O2 290.22458 NA MeJP NA NA +MJ024643 1-Hydroxy-2,5,12-nonadecatrien-4-one, Aldehyde C19H30O2 290.22458 NA MeJP NA NA +MJ024644 1-Hydroxy-2,5,14-nonadecatrien-4-one, Aldehyde C19H30O2 290.22458 NA MeJP NA NA +MJ024645 13-Phenyltridecanoic acid C19H30O2 290.22458 NA MeJP NA NA +MJ024646 15-Nor-9,10-seco-5(10),8,11-labdatrien-14-oic acid C19H30O2 290.22458 NA MeJP NA NA +MJ024647 17-Hydroxyandrostan-3-one C19H30O2 290.22458 NA MeJP NA NA +MJ024648 18-Hydroxy-15-nor-8(17),12-labdadien-14-al C19H30O2 290.22458 NA MeJP NA NA +MJ024649 19-Nor-3,5-clerodadien-15-ol, 15-Carboxylic acid C19H30O2 290.22458 NA MeJP NA NA +MJ024650 19-Nor-8(17),13-labdadien-15-oic acid C19H30O2 290.22458 NA MeJP NA NA +MJ024651 3,5,10-Bisabolatrien-12-ol; 2-Methylpropanoyl C19H30O2 290.22458 NA MeJP NA NA +MJ024652 3-Hydroxy-17-nor-8-pimaren-15-one C19H30O2 290.22458 NA MeJP NA NA +MJ024653 3-Hydroxyandrostan-17-one C19H30O2 290.22458 NA MeJP NA NA +MJ024654 5,8,11,14,17-Nonadecapentaenoic acid, 17,18-Dihydro C19H30O2 290.22458 NA MeJP NA NA +MJ024655 5-(8-Tridecenyl)-1,3-benzenediol C19H30O2 290.22458 NA MeJP NA NA +MJ024656 8,13-Epoxy-3-nor-14-colensen-2-one C19H30O2 290.22458 NA MeJP NA NA +MJ024657 Androst-5-ene-3,17-diol C19H30O2 290.22458 NA MeJP NA NA +MJ024658 Glaciolide C19H30O2 290.22458 NA MeJP NA NA +MJ024659 Gracilin A; 16-Deacetoxy, O15-de-Ac C19H30O2 290.22458 NA MeJP NA NA +MJ024660 Sterculynic acid C19H30O2 290.22458 NA MeJP NA NA +MetaCyc02597 3-α-hydroxy-5-β-androstane-17-one [] C19H30O2 290.22458 53-42-9 metacyc NA NA +MetaCyc02598 17-β-hydroxyandrostan-3-one [] C19H30O2 290.22458 521-18-6 metacyc NA NA +MetaCyc02599 17-β-hydroxy-5α-androstan-3-one [17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16, 17-hexadecahydrocyclopenta[a]phenanthren-3-one;] C19H30O2 290.22458 NA metacyc NA NA +MetaCyc02600 16-oxosteroid [3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17-hexadecahydrocyclopenta[a]phenanthren-16-one;] C19H30O2 290.22458 NA metacyc NA NA +MetaCyc02601 androsterone [] C19H30O2 290.22458 NA metacyc NA NA +HMDB00031 Androsterone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB00031 PFEM_hmdb_metabocards_blood NA blood +HMDB00365 Epiandrosterone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB00365 PFEM_hmdb_metabocards_blood NA blood +HMDB00490 Etiocholanolone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB00490 PFEM_hmdb_metabocards_blood NA blood +HMDB00546 Epietiocholanolone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB00546 PFEM_hmdb_metabocards_blood NA blood +HMDB02961 Dihydrotestosterone C19H30O2 290.22458 http://www.hmdb.ca/metabolites/HMDB02961 PFEM_hmdb_metabocards_blood NA blood +EUR099 Dihydrotestosterone C19H30O2 290.22458 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR099 Dihydrotestosterone C19H30O2 290.22458 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00031 Androsterone C19H30O2 290.22458 HMDB00031 PFEM_hmdb_metabocards_official NA NA +HMDB00365 Epiandrosterone C19H30O2 290.22458 HMDB00365 PFEM_hmdb_metabocards_official NA NA +HMDB00490 Etiocholanolone C19H30O2 290.22458 HMDB00490 PFEM_hmdb_metabocards_official NA NA +HMDB00546 Epietiocholanolone C19H30O2 290.22458 HMDB00546 PFEM_hmdb_metabocards_official NA NA +HMDB02961 Dihydrotestosterone C19H30O2 290.22458 HMDB02961 PFEM_hmdb_metabocards_official NA NA +HMDB03818 Androst-5-ene-3beta,17beta-diol C19H30O2 290.22458 HMDB03818 PFEM_hmdb_metabocards_official NA NA +HMDB05849 4-Androstenediol C19H30O2 290.22458 HMDB05849 PFEM_hmdb_metabocards_official NA NA +HMDB06770 5beta-Dihydrotestosterone C19H30O2 290.22458 HMDB06770 PFEM_hmdb_metabocards_official NA NA +EUR099 Dihydrotestosterone C19H30O2 290.2246 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR099 Dihydrotestosterone C19H30O2 290.2246 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR099 Dihydrotestosterone C19H30O2 290.2246 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR099 Dihydrotestosterone C19H30O2 290.2246 Wishlist Inhousejuil11 NA NA +C00523 Androsterone C19H30O2 290.2246 NA KEGG NA NA +C00524 Cytochrome c C42H44FeN8O8S2R4 290.2246 NA KEGG NA NA +C01986 16-Oxosteroid C19H30O2 290.2246 NA KEGG NA NA +C03917 Dihydrotestosterone C19H30O2 290.2246 NA KEGG NA NA +C04295 Androst-5-ene-3beta,17beta-diol C19H30O2 290.2246 NA KEGG NA NA +C04373 3alpha-Hydroxy-5beta-androstan-17-one C19H30O2 290.2246 NA KEGG NA NA +C04375 4-N-(N-Acetyl-D-glucosaminyl)-protein C13H20N4O8R2 290.2246 NA KEGG NA NA +C05293 5beta-Dihydrotestosterone C19H30O2 290.2246 NA KEGG NA NA +C07635 Epiandrosterone C19H30O2 290.2246 NA KEGG NA NA +C14210 4-Androstenediol C19H30O2 290.2246 NA KEGG NA NA +C14631 5-Androstene-3beta,16alpha-diol C19H30O2 290.2246 NA KEGG NA NA +C14932 11beta-Hydroxy-5alpha-androstan-17-one C19H30O2 290.2246 NA KEGG NA NA +C15326 17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one C19H30O2 290.2246 NA KEGG NA NA +C15442 5-Androstene-3beta,16beta-diol C19H30O2 290.2246 NA KEGG NA NA +EUR453 Androsterone glucuronide F4 F4 290.226775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR453 Androsterone glucuronide F4 NA 290.226775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR453 Androsterone glucuronide F4 F4 290.226775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR453 Androsterone glucuronide F4 NA 290.226775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR453 Androsterone glucuronide F4 F4 290.226775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR453 Androsterone glucuronide F4 NA 290.226775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR453 Androsterone glucuronide F4 F4 290.226775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR453 Androstérone glucuronide F4 F4 290.226775 standards wishlist analysés sur QTOF HMDB NA NA +EUR453 Androsterone glucuronide F4 F4 290.226775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR453 Androsterone glucuronide F4 NA 290.226775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR453 Androsterone glucuronide F4 F4 290.226775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR453 Androsterone glucuronide F4 F4 290.226775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ024661 3-Pyridinetridecanal; Oxime C18H30N2O 290.235813 NA MeJP NA NA +MJ024662 1,6,10,14-Phytatetraen-3-ol C20H34O 290.260965 NA MeJP NA NA +MJ024663 11,13-Labdadien-8-ol C20H34O 290.260965 NA MeJP NA NA +MJ024664 11-Sphaeroen-7-ol; 7?-form C20H34O 290.260965 NA MeJP NA NA +MJ024665 12,14-Labdadien-8-ol C20H34O 290.260965 NA MeJP NA NA +MJ024666 13(16),14-Labdadien-8-ol C20H34O 290.260965 NA MeJP NA NA +MJ024667 15-Erythroxylen-4-ol C20H34O 290.260965 NA MeJP NA NA +MJ024668 15-Isopimaren-12-ol; 12?-form C20H34O 290.260965 NA MeJP NA NA +MJ024669 15-Isopimaren-8-ol C20H34O 290.260965 NA MeJP NA NA +MJ024670 15-Pimaren-8-ol C20H34O 290.260965 NA MeJP NA NA +MJ024671 15-Rosen-5-ol C20H34O 290.260965 NA MeJP NA NA +MJ024672 16-Kauranol C20H34O 290.260965 NA MeJP NA NA +MJ024673 16-Phyllocladanol; 16?-form C20H34O 290.260965 NA MeJP NA NA +MJ024674 16-Stemodanol; 16?-form C20H34O 290.260965 NA MeJP NA NA +MJ024675 17-Cneoruben-10-ol C20H34O 290.260965 NA MeJP NA NA +MJ024676 19(4?5)-Abeo-8(17),14-labdadien-13-ol C20H34O 290.260965 NA MeJP NA NA +MJ024677 2,6,10,14-Phytatetraen-1-ol C20H34O 290.260965 NA MeJP NA NA +MJ024678 2,7,11-Cembratrien-4-ol C20H34O 290.260965 NA MeJP NA NA +MJ024679 2-(2,5,7-Octatrienyl)-3-decyloxirane C20H34O 290.260965 NA MeJP NA NA +MJ024680 2-Valparen-15-ol C20H34O 290.260965 NA MeJP NA NA +MJ024681 2-Verrucosanol C20H34O 290.260965 NA MeJP NA NA +MJ024682 3,13-Clerodadien-15-ol C20H34O 290.260965 NA MeJP NA NA +MJ024683 3,14-Clerodadien-13-ol C20H34O 290.260965 NA MeJP NA NA +MJ024684 3,17-Sphenolobadien-13-ol C20H34O 290.260965 NA MeJP NA NA +MJ024685 3,5-Seco-2-verrucosen-5-ol C20H34O 290.260965 NA MeJP NA NA +MJ024686 3,7,11-Cembratrien-1-ol C20H34O 290.260965 NA MeJP NA NA +MJ024687 3,7,11-Cembratrien-15-ol C20H34O 290.260965 NA MeJP NA NA +MJ024688 3,7,11-Cembratrien-2-ol C20H34O 290.260965 NA MeJP NA NA +MJ024689 3,7-Dolabelladien-18-ol C20H34O 290.260965 NA MeJP NA NA +MJ024690 4(18),13-Clerodadien-15-ol C20H34O 290.260965 NA MeJP NA NA +MJ024691 4(18),14-Clerodadien-13-ol C20H34O 290.260965 NA MeJP NA NA +MJ024692 4,8-Dolabelladien-18-ol C20H34O 290.260965 NA MeJP NA NA +MJ024693 5-Neoverrucosanol C20H34O 290.260965 NA MeJP NA NA +MJ024694 7,13-Labdadien-15-ol C20H34O 290.260965 NA MeJP NA NA +MJ024695 7,14-Labdadien-13-ol C20H34O 290.260965 NA MeJP NA NA +MJ024696 8(12),17-Sacculatadien-11-ol C20H34O 290.260965 NA MeJP NA NA +MJ024697 8(17),12-Labdadien-3-ol C20H34O 290.260965 NA MeJP NA NA +MJ024698 8(17),13-Labdadien-15-ol C20H34O 290.260965 NA MeJP NA NA +MJ024699 8(17),14-Labdadien-13-ol C20H34O 290.260965 NA MeJP NA NA +MJ024700 8,11,13-Cembratrien-4-ol C20H34O 290.260965 NA MeJP NA NA +MJ024701 8,13-Epoxy-14-labdene C20H34O 290.260965 NA MeJP NA NA +MJ024702 8,13-Labdadien-15-ol C20H34O 290.260965 NA MeJP NA NA +MJ024703 8,14-Labdadien-13-ol C20H34O 290.260965 NA MeJP NA NA +MJ024704 9,12-Cyclomulin-13-ol C20H34O 290.260965 NA MeJP NA NA +MJ024705 9-Geranyl-?-terpineol C20H34O 290.260965 NA MeJP NA NA +MJ024706 Anisotomenoic acid; 1-Alcohol C20H34O 290.260965 NA MeJP NA NA +MJ024707 Barekoxide C20H34O 290.260965 NA MeJP NA NA +MJ024708 Caulerpol C20H34O 290.260965 NA MeJP NA NA +MJ024709 Dictyotin B C20H34O 290.260965 NA MeJP NA NA +MJ024710 Dilophol C20H34O 290.260965 NA MeJP NA NA +MJ024711 Helipterol C20H34O 290.260965 NA MeJP NA NA +MJ024712 Isotrixagol C20H34O 290.260965 NA MeJP NA NA +MJ024713 Magydartrienol C20H34O 290.260965 NA MeJP NA NA +MJ024714 Obscuronatin C20H34O 290.260965 NA MeJP NA NA +MJ024715 Palmatol C20H34O 290.260965 NA MeJP NA NA +MJ024716 Tetrahydro-4-isopropyl-1,8a-dimethyl-5-methylene-1-phenanthrol C20H34O 290.260965 NA MeJP NA NA +MJ024717 Trixagol C20H34O 290.260965 NA MeJP NA NA +MJ024718 Umabanol C20H34O 290.260965 NA MeJP NA NA +MJ024719 Verticillol C20H34O 290.260965 NA MeJP NA NA +MJ024720 Zaatirin C20H34O 290.260965 NA MeJP NA NA +C09094 Geranylgeraniol C20H34O 290.261 NA KEGG NA NA +C11890 Aphidicolan-16beta-ol C20H34O 290.261 NA KEGG NA NA +C15316 5alpha-Androstane-2alpha-methyl-17beta-ol C20H34O 290.261 NA KEGG NA NA +MJ024721 Theonelladine C; N-Me C19H34N2 290.272199 NA MeJP NA NA +MJ024722 3,6,9-Heneicosatriene C21H38 290.297351 NA MeJP NA NA +MJ024723 Oxo[[1,1'-[[1,2-ethanediyl]diimino]bis[ethanedithiolato]](3-)]technetium C6H13N2OS2Tc 290.954145 NA MeJP NA NA +MJ024724 1-[2-Chloro-2-(2,6-dichlorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine C11H12Cl3N3 291.00968 NA MeJP NA NA +MJ024725 Brimonidine C11H10BrN5 291.011957 NA MeJP NA NA +C07886 Brimonidine C11H10BrN5 291.012 NA KEGG NA NA +MJ024726 N?-Phosphosulfamylornithine C5H14N3O7PS 291.029007 NA MeJP NA NA +MJ024727 Lobenzarit C14H10ClNO4 291.029835 NA MeJP NA NA +C06604 Parathion C10H14NO5PS 291.033 NA KEGG NA NA +HMDB01355 Parathion C10H14NO5PS 291.03302 http://www.hmdb.ca/metabolites/HMDB01355 HMDB NA NA +HMDB01355 Parathion C10H14NO5PS 291.03302 HMDB01355 PFEM_hmdb_metabocards_official NA NA +HMDB01355 Parathion C10H14NO5PS 291.03302 NA HMDB2010 NA NA +MJ024728 Parathion C10H14NO5PS 291.033029 NA MeJP NA NA +MetaCyc02602 parathion [ethyl parathion;parthion;alkron;Paraphos;Foliclal;Fosferno;Fostox;Rhodiatox;O,O-diethyl O-p-nitrophenyl phosphorothioate;diethyl-p-nitrophenyl monothiophosphate;DNTP;SNP;E 605;ac 3422;Alleron;Aphamite;Etilon;Folidol;Phoskil;deoxynucleoside 5'-triphosphate;Parathion-E;Aqua 9-Parathion;Bladen;Phosphorothioic acid O,O-diethyl-O-(4-nitrophenyl) ester;diethyl p-nitrophenyl thiophosphate;O,O-diethyl-O-(p-nitrophenyl)thionophosphate;diethylparathion;p-nitrophenol O-ester with O,O-diethylphosphorothioate;AAT;AATP;acc 3422;american cyanamid 3422;Aralo;B 404;bay e-605;bayer e-605;bladan f;compound 3422;corothion;corthione;danthion;ecatox;fosfive;fosova;fostern;genithion;kolphos;kypthion;lirothion;murfos;nitrostygmine;niuif-100;nourithion;oleofos 20;oleoparathion;Orthophos;panthion;Paramar;paramar 50;parathene;Parawet;pestox plus;pethion;phosphemol;phosphenol;phosphostigmine;RB;stabilized ethyl parathion;stathion;strathion;sulfos;T-47;thiophos 3422;TOX 47;vapophos;diethyl para-nitrophenol thiophosphate;diethyl 4-nitrophenyl phosphorothionate;diethyl p-nitrophenyl thionophosphate;drexel parathion 8E;E 605 F;e 605 forte;ekatin wf & wf ulv;ekatox;ethlon;folidol e605;folidol e & e 605;folidol oil;fosfermo;fosfex;gearphos;lethalaire g-54;oleoparaphene;OMS 19;PAC;Pacol;Paradust;rhodiasol;rhodiatrox;selephos;sixty-three special e.c.;soprathion;super rodiatox;vitrex;penncap e;thiomex;tiofos;Viran;Durathion;Thionspray No.84;Bladan;Diethyl O-p-nitrophenyl phosphorothioate;Fosferno 50;Niran;Ethyl parathion (O,O-diethyl-O-p-nitrophenylthiophosphate);] C10H14N1O5P1S1 291.03303 56-38-2 metacyc NA NA +MJ024729 Cepharadione A; N-De-Me C17H9NO4 291.053157 NA MeJP NA NA +MJ024730 Lanuginosine; O-De-Me C17H9NO4 291.053157 NA MeJP NA NA +MJ024731 Liriodenine; 10-Hydroxy C17H9NO4 291.053157 NA MeJP NA NA +MJ024732 Liriodenine; 11-Hydroxy C17H9NO4 291.053157 NA MeJP NA NA +MJ024733 Oxolaureline; O-De-Me C17H9NO4 291.053157 NA MeJP NA NA +C15433 1-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)-1H-pyrrole-2,5-dione C17H9NO4 291.0532 NA KEGG NA NA +MJ024734 Carinamide C14H13NO4S 291.056528 NA MeJP NA NA +MJ024735 Indatraline C16H15Cl2N 291.058154 NA MeJP NA NA +MJ024736 Zomepirac C15H14ClNO3 291.066221 NA MeJP NA NA +MJ024737 Amidapsone C13H13N3O3S 291.067761 NA MeJP NA NA +MJ024738 Collismycin, S-Oxide C13H13N3O3S 291.067761 NA MeJP NA NA +MJ024739 Epoxyquinomicin C C14H13NO6 291.074287 NA MeJP NA NA +MJ024740 Lycoricidine C14H13NO6 291.074287 NA MeJP NA NA +MJ024741 Rhoifolinic acid, Di-Me ester C14H13NO6 291.074287 NA MeJP NA NA +C08531 Lycoricidine C14H13NO6 291.0743 NA KEGG NA NA +HMDB02354 Hawkinsin C11H17NO6S 291.077667 NA HMDB2010 NA NA +HMDB02354 Hawkinsin C11H17NO6S 291.07767 http://www.hmdb.ca/metabolites/HMDB02354 HMDB NA NA +HMDB02354 Hawkinsin C11H17NO6S 291.07767 HMDB02354 PFEM_hmdb_metabocards_official NA NA +MJ024742 Prontosil C12H13N5O2S 291.078995 NA MeJP NA NA +C07573 Prontosil C12H13N5O2S 291.079 NA KEGG NA NA +MJ024743 Crufomate C12H19ClNO3P 291.079107 NA MeJP NA NA +MJ024744 Cloranolol C13H19Cl2NO2 291.079284 NA MeJP NA NA +MJ024745 4-Nitrotryptophan, N-Ac C13H13N3O5 291.08552 NA MeJP NA NA +MJ024746 Anonaine, 6a,7-Didehydro, N-formyl C18H13NO3 291.089543 NA MeJP NA NA +MJ024747 Bianfugecine C18H13NO3 291.089543 NA MeJP NA NA +MJ024748 Liriodendronine; O2,N-Di-Me C18H13NO3 291.089543 NA MeJP NA NA +MJ024749 Lysicamine C18H13NO3 291.089543 NA MeJP NA NA +MJ024750 Pareitropone C18H13NO3 291.089543 NA MeJP NA NA +C04521 2,7-Anhydro-alpha-N-acetylneuraminic acid C11H17NO8 291.0954 NA KEGG NA NA +C04580 2-Deoxy-2,3-dehydro-N-acetylneuraminic acid C11H17NO8 291.0954 NA KEGG NA NA +C08341 Sarmentosin epoxide C11H17NO8 291.0954 NA KEGG NA NA +MJ024751 4-Hydroxy-2-(hydroxymethyl)-2-butenoic acid, 2,3-Epoxide, nitrile, 4-O-?-D-glucopyranoside C11H17NO8 291.095416 NA MeJP NA NA +MJ024752 4-Hydroxy-3-hydroxymethyl-2-butenoic acid; Nitrile, 2S,3R-epoxide, O-?-D-glucopyranoside C11H17NO8 291.095416 NA MeJP NA NA +EUR229 Sialic acid F3 F3 291.096075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR229 Acide sialique F3 NA 291.096075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR229 Sialic acid F3 F3 291.096075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR229 Acide sialique F3 NA 291.096075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR229 Sialic acid F3 F3 291.096075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR229 Acide sialique F3 NA 291.096075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR229 Sialic acid F3 F3 291.096075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR229 Sialic acid F3 F3 291.096075 standards wishlist analysés sur QTOF HMDB NA NA +EUR229 Sialic acid F3 F3 291.096075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR229 Acide sialique F3 NA 291.096075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR229 Sialic acid F3 F3 291.096075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR229 Sialic acid F3 F3 291.096075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ024753 Carprazidil C12H13N5O4 291.096753 NA MeJP NA NA +MJ024754 Sangivamycic acid; Nitrile C12H13N5O4 291.096753 NA MeJP NA NA +MJ024755 Circumdatin C; Deoxy C17H13N3O2 291.100776 NA MeJP NA NA +MJ024756 Fasudil C14H17N3O2S 291.104147 NA MeJP NA NA +PJ000187 GSE C10H17N3O7 291.1067 NA PeJP NA NA +MJ024757 Actiphenol; 1'''-Hydroxy C15H17NO5 291.110672 NA MeJP NA NA +MJ024758 Actiphenol; 1'-Hydroxy C15H17NO5 291.110672 NA MeJP NA NA +MJ024759 Actiphenol; 3-Hydroxy (3,4-trans-) C15H17NO5 291.110672 NA MeJP NA NA +MJ024760 Mescaline succinimide; 3,4-Didehydro C15H17NO5 291.110672 NA MeJP NA NA +MJ024761 Nong-kang 101-F C15H17NO5 291.110672 NA MeJP NA NA +MJ024762 Obscurolide A3; 1''-Carboxylic acid C15H17NO5 291.110672 NA MeJP NA NA +MJ024763 Diethylthiambutene C16H21NS2 291.111541 NA MeJP NA NA +MJ024764 Annomontine; 6-Methoxy C16H13N5O 291.11201 NA MeJP NA NA +C13721 Cyanotriphenylborate C19H15BN 291.1195 NA KEGG NA NA +PJ000188 SW C14H17N3O4 291.1219 NA PeJP NA NA +MetaCyc02603 7,2'-dihydroxy-4'-methoxy-isoflavanol carbocation intermediate 2 [] C16H19O5 291.123249 NA metacyc NA NA +PJ000189 AAM C11H21N3O4S 291.1253 NA PeJP NA NA +C10954 Naproanilide C19H17NO2 291.1259 NA KEGG NA NA +MJ024765 6-Methyl-2-phenyl-4-quinolinecarboxylic acid; Et ester C19H17NO2 291.125928 NA MeJP NA NA +HMDB06867 S-(3-Methylbutanoyl)-dihydrolipoamide-E C13H25NO2S2 291.13266 NA HMDB2010 NA NA +HMDB06869 S-(2-Methylbutanoyl)-dihydrolipoamide C13H25NO2S2 291.13266 NA HMDB2010 NA NA +MJ024766 S-(2-Methylbutanoyl)-dihydrolipoamide C13H25NO2S2 291.13267 NA MeJP NA NA +MJ024767 S-(3-Methylbutanoyl)-dihydrolipoamide C13H25NO2S2 291.13267 NA MeJP NA NA +MetaCyc02604 S-(2-methylbutanoyl)-dihydrolipoamide [S-(2-methylbutyryl)dihydrolipoamide;] C13H25N1O2S2 291.13267 NA metacyc NA NA +C05118 S-(2-Methylbutanoyl)-dihydrolipoamide C13H25NO2S2 291.1327 NA KEGG NA NA +C05119 S-(3-Methylbutanoyl)-dihydrolipoamide C13H25NO2S2 291.1327 NA KEGG NA NA +MJ024768 2-(3-Ethoxyphenyl)-5,6-dihydro[1,2,4]triazolo[5,1-a]isoquinoline C18H17N3O 291.137162 NA MeJP NA NA +HMDB01927 Diphenhydramine C17H22ClNO 291.13898 http://www.hmdb.ca/metabolites/HMDB01927 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01927 Diphenhydramine C17H22ClNO 291.13898 http://www.hmdb.ca/metabolites/HMDB01927 HMDB NA NA +HMDB01927 Diphenhydramine C17H22ClNO 291.13898 http://www.hmdb.ca/metabolites/HMDB01927 PFEM_hmdb_metabocards_blood NA blood +HMDB01927 Diphenhydramine C17H22ClNO 291.13898 HMDB01927 PFEM_hmdb_metabocards_official NA NA +MJ024769 Zolamine C15H21N3OS 291.140532 NA MeJP NA NA +PJ000190 ATT C11H21N3O6 291.143 NA PeJP NA NA +MJ024770 2,6-Diamino-2-(hydroxymethyl)heptanedioic acid, N2-(2S-Carboxyethyl) C11H21N3O6 291.143035 NA MeJP NA NA +MJ024771 3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether, pyrrolidide C16H21NO4 291.147058 NA MeJP NA NA +MJ024772 8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-Phenylacetyl C16H21NO4 291.147058 NA MeJP NA NA +MJ024773 Befunolol C16H21NO4 291.147058 NA MeJP NA NA +MJ024774 Clavulinin C16H21NO4 291.147058 NA MeJP NA NA +MJ024775 Convolvine C16H21NO4 291.147058 NA MeJP NA NA +MJ024776 Edulinine C16H21NO4 291.147058 NA MeJP NA NA +MJ024777 Erythrococcamide B C16H21NO4 291.147058 NA MeJP NA NA +MJ024778 Obscurolide A3; 1''-Me ether C16H21NO4 291.147058 NA MeJP NA NA +MJ024779 Obscurolide B3; 7'-Me ether C16H21NO4 291.147058 NA MeJP NA NA +C10856 Convolvine C16H21NO4 291.1471 NA KEGG NA NA +C10863 Phyllalbine C16H21NO4 291.1471 NA KEGG NA NA +MJ024780 Geneserine C15H21N3O3 291.158291 NA MeJP NA NA +C09176 Eseridine C15H21N3O3 291.1583 NA KEGG NA NA +MJ024781 Butinoline C20H21NO 291.162314 NA MeJP NA NA +MJ024782 Cotriptyline C20H21NO 291.162314 NA MeJP NA NA +MJ024783 Danitracen C20H21NO 291.162314 NA MeJP NA NA +MJ024784 Perlapine C19H21N3 291.173547 NA MeJP NA NA +MJ024785 Vasicoline C19H21N3 291.173547 NA MeJP NA NA +MJ024786 N6-(5-Amino-5-carboxypentyl)-5-hydroxylysine C12H25N3O5 291.17942 NA MeJP NA NA +C04883 (+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-3,4-dihydro-1(2H)- C17H25NO3 291.1834 NA KEGG NA NA +C04884 N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D- C50H86N3O26R 291.1834 NA KEGG NA NA +C04885 alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-D- C25H41N2O19R 291.1834 NA KEGG NA NA +C06932 Cyclopentolate C17H25NO3 291.1834 NA KEGG NA NA +C06933 Transferred to D00287 C17H25NO3 291.1834 NA KEGG NA NA +C07914 Levobunolol C17H25NO3 291.1834 NA KEGG NA NA +C09225 Mesembrinol C17H25NO3 291.1834 NA KEGG NA NA +C09881 Lyconnotine C17H25NO3 291.1834 NA KEGG NA NA +C12905 Variotin C17H25NO3 291.1834 NA KEGG NA NA +C12906 Transferred to D01459 C17H25NO3 291.1834 NA KEGG NA NA +C12907 Transferred to D01460 C17H25NO3 291.1834 NA KEGG NA NA +C12908 Transferred to D01461 C17H25NO3 291.1834 NA KEGG NA NA +C12909 Transferred to D01462 C17H25NO3 291.1834 NA KEGG NA NA +C12910 Transferred to D01463 C17H25NO3 291.1834 NA KEGG NA NA +C12911 Transferred to D01464 C17H25NO3 291.1834 NA KEGG NA NA +C12912 Transferred to D01465 C17H25NO3 291.1834 NA KEGG NA NA +C12913 Transferred to D01466 C17H25NO3 291.1834 NA KEGG NA NA +C12914 Transferred to D01467 C17H25NO3 291.1834 NA KEGG NA NA +MJ024787 3,4-Dihydroxybenzylamine; 3-Me ether, N-(7-methyl-5E-octenoyl) C17H25NO3 291.183443 NA MeJP NA NA +MJ024788 Annopodine C17H25NO3 291.183443 NA MeJP NA NA +MJ024789 Bunolol C17H25NO3 291.183443 NA MeJP NA NA +MJ024790 Cyclizidine C17H25NO3 291.183443 NA MeJP NA NA +MJ024791 Cyclopentolate C17H25NO3 291.183443 NA MeJP NA NA +MJ024792 Dendroxine C17H25NO3 291.183443 NA MeJP NA NA +MJ024793 Eucatropine C17H25NO3 291.183443 NA MeJP NA NA +MJ024794 Fusaricide C17H25NO3 291.183443 NA MeJP NA NA +MJ024795 Hyeronine B C17H25NO3 291.183443 NA MeJP NA NA +MJ024796 Joubertinamine C17H25NO3 291.183443 NA MeJP NA NA +MJ024797 Lasubine I C17H25NO3 291.183443 NA MeJP NA NA +MJ024798 Lyconnotine C17H25NO3 291.183443 NA MeJP NA NA +MJ024799 Lycopodium Base X C17H25NO3 291.183443 NA MeJP NA NA +MJ024800 Melochicorine C17H25NO3 291.183443 NA MeJP NA NA +MJ024801 Mesembrine, 6?-Alcohol C17H25NO3 291.183443 NA MeJP NA NA +MJ024802 Saururidine C17H25NO3 291.183443 NA MeJP NA NA +MJ024803 Sedacryptine C17H25NO3 291.183443 NA MeJP NA NA +MJ024804 Sederine C17H25NO3 291.183443 NA MeJP NA NA +MJ024805 Sedinone; Hydroxy C17H25NO3 291.183443 NA MeJP NA NA +MJ024806 Variotin C17H25NO3 291.183443 NA MeJP NA NA +MetaCyc02605 (+-)-5-[(tert-butylamino)-2'-hydroxypropoxy]-3,4-dihydro-1(2H)-naphthalenone [] C17H25N1O3 291.183444 NA metacyc NA NA +MJ024807 4-Coumaroylspermidine C16H25N3O2 291.194677 NA MeJP NA NA +MJ024808 Mayfoline C16H25N3O2 291.194677 NA MeJP NA NA +MJ024809 Melitracen C21H25N 291.198699 NA MeJP NA NA +MJ024810 N-(1,1-Dimethylethyl)-4,4-diphenyl-2-cyclopenten-1-amine C21H25N 291.198699 NA MeJP NA NA +MJ024811 Pyrophendane C21H25N 291.198699 NA MeJP NA NA +MJ024812 Terbinafine C21H25N 291.198699 NA MeJP NA NA +C08079 Terbinafine C21H25N 291.1987 NA KEGG NA NA +C07416 Penbutolol C18H29NO2 291.2198 NA KEGG NA NA +MJ024813 12-Oxo-2,4,8-tetradecatrienoic acid, 2-Methylpropylamide C18H29NO2 291.219829 NA MeJP NA NA +MJ024814 2,4,8,11-Tetradecatetraenoic acid, 2-Hydroxy-2-methylpropylamide C18H29NO2 291.219829 NA MeJP NA NA +MJ024815 ?-[[(3-Cyclohexyl-1-methylpropyl)amino]methyl]-3-hydroxybenzyl alcohol C18H29NO2 291.219829 NA MeJP NA NA +MJ024816 Exaprolol C18H29NO2 291.219829 NA MeJP NA NA +MJ024817 Ketocainol; ?-Ketone C18H29NO2 291.219829 NA MeJP NA NA +MJ024818 Lelobanidine C18H29NO2 291.219829 NA MeJP NA NA +MJ024819 Lotucaine C18H29NO2 291.219829 NA MeJP NA NA +MJ024820 Lycopodine, 5?-Alcohol, O-Ac C18H29NO2 291.219829 NA MeJP NA NA +MJ024821 Penbutolol C18H29NO2 291.219829 NA MeJP NA NA +C15356 17beta-Amino-5alpha-androstan-11beta-ol C19H33NO 291.2562 NA KEGG NA NA +MJ024822 2,4-Tetradecadienoic acid, Piperidide C19H33NO 291.256214 NA MeJP NA NA +MJ024823 Histrionicotoxins; Histrionicotoxin 291A C19H33NO 291.256214 NA MeJP NA NA +MJ024824 Samanine C19H33NO 291.256214 NA MeJP NA NA +MJ024825 2,5-Dialkylpyrrolidines; 2-Hexyl-5-nonylpyrrolidine, 5',6',8'',9''-Tetradehydro, N-Me C20H37N 291.2926 NA MeJP NA NA +MJ024826 1,1,3-Tribromo-2-propanone C3H3Br3O 291.773402 NA MeJP NA NA +MJ024827 Bromoiodoacetic acid; Et ester C4H6BrIO2 291.859585 NA MeJP NA NA +MJ024828 2,2,2-Trichloro-1-(3,4-dichlorophenyl)ethanol C8H5Cl5O 291.878303 NA MeJP NA NA +C11009 Chlorbromuron C9H10BrClN2O2 291.9614 NA KEGG NA NA +MJ024829 2,3,5-Tris(methylthio)-1,4-benzenediol; 1,4-Quinone, 6-(methylthio) C10H12O2S4 291.972012 NA MeJP NA NA +MJ024830 Butedronic acid C5H10O10P2 291.974919 NA MeJP NA NA +MJ024831 4-Chloro-3,6,8-trihydroxy-1-methylxanthone C14H9ClO5 292.013851 NA MeJP NA NA +C07646 Carboxyphosphamide C7H15Cl2N2O4P 292.0146 NA KEGG NA NA +C16557 Carboxyifosfamide C7H15Cl2N2O4P 292.0146 NA KEGG NA NA +MJ024832 Perfosfamide C7H15Cl2N2O4P 292.014648 NA MeJP NA NA +MJ024833 Brevifolincarboxylic acid C13H8O8 292.021917 NA MeJP NA NA +MJ024834 Phyllanthusiin E C13H8O8 292.021917 NA MeJP NA NA +MJ024835 4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol; 1-Ac C14H12O3S2 292.022785 NA MeJP NA NA +MJ024836 4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol; 2-Ac C14H12O3S2 292.022785 NA MeJP NA NA +MetaCyc02606 5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene [] C14H12O3S2 292.022786 NA metacyc NA NA +C04711 5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene C14H12O3S2 292.0228 NA KEGG NA NA +MJ024837 1-(3,5-Dichloro-2,6-dihydroxy-4-methoxyphenyl)-1-pentanone C12H14Cl2O4 292.026914 NA MeJP NA NA +MJ024838 Selenobiotin C10H16N2O3Se 292.032614 NA MeJP NA NA +JH182 Trihydroxyisofl. (3',4',7-) [M+Na]+ NA 292.0348 14.89 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH182 Trihydroxyisofl. (3',4',7-) [M+Na]+ NA 292.0348 14.89 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH182 Trihydroxyisofl. (3',4',7-) [M+Na]+ NA 292.0348 14.89 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH182 Trihydroxyisofl. (3',4',7-) [M+Na]+ NA 292.0348 14.89 Inhousejuil11 NA NA +MJ024839 Neopsoralen C17H8O5 292.037173 NA MeJP NA NA +MJ024840 Proclonol C16H14Cl2O 292.04217 NA MeJP NA NA +C14423 1,8-Dinitropyrene C16H8N2O4 292.0484 NA KEGG NA NA +C14424 1,6-Dinitropyrene C16H8N2O4 292.0484 NA KEGG NA NA +MJ024841 Tiamiprine C9H8N8O2S 292.049092 NA MeJP NA NA +MJ024842 2-Chloro-5,8-dihydroxy-3-prenyl-1,4-naphthoquinone C15H13ClO4 292.050236 NA MeJP NA NA +MJ024843 Sulfanthrol C13H12N2O4S 292.051777 NA MeJP NA NA +MJ024844 1-Oxo-2-phenyl-2-pentene-1,3,5-tricarboxylic acid C14H12O7 292.058302 NA MeJP NA NA +MJ024845 2,5,6,8-Tetrahydroxy-3-(2-oxopropyl)-1,4-naphthoquinone; 6-Me ether C14H12O7 292.058302 NA MeJP NA NA +MJ024846 3,4-Dihydro-3,5-dihydroxy-2H-pyran-2-one, 3-O-(3,5-Dihydroxy-E-cinnamoyl) C14H12O7 292.058302 NA MeJP NA NA +MJ024847 5-Hydroxy-2,6-dimethoxy-7-methoxycarbonyl-1,4-naphthoquinone C14H12O7 292.058302 NA MeJP NA NA +MJ024848 Cordeauxione C14H12O7 292.058302 NA MeJP NA NA +MJ024849 Dumortin A; 7,8-Dihydro, 7-hydroxy C14H12O7 292.058302 NA MeJP NA NA +MJ024850 Floccosic acid C14H12O7 292.058302 NA MeJP NA NA +MJ024851 Isocordeauxione C14H12O7 292.058302 NA MeJP NA NA +MJ024852 Juglomycin D C14H12O7 292.058302 NA MeJP NA NA +MJ024853 Olivovariin C14H12O7 292.058302 NA MeJP NA NA +MJ024854 Yerrinquinone C14H12O7 292.058302 NA MeJP NA NA +C14204 Hydroxyflutamide C11H11F3N2O4 292.0671 NA KEGG NA NA +MJ024855 4-Bromo-3-oxobutanoic acid; 1-Methylheptyl ester C12H21BrO3 292.067407 NA MeJP NA NA +MJ024856 5-Fluoro-2,4(1H,3H)-pyrimidinedione; 1-?-D-Galactopyranosyl C10H13FN2O7 292.070678 NA MeJP NA NA +FL1AA9NF0002 4-Methoxyfurano[2'',3'':6,7]aurone C18H12O4 292.07355 61755-76-8 knapsack NA NA +FL1AUNNF0001 Derriobtusone A C18H12O4 292.07355 61755-71-3 knapsack NA NA +FL3F18NF0001 2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one C18H12O4 292.07355 73937-46-9 knapsack NA NA +FL3F19NF0001 Pongone;7-(3-Methoxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-one C18H12O4 292.07355 114687-96-6 knapsack NA NA +FL3F19NF0002 Cauliflorin A;Pongol methyl ether;2-(3-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one C18H12O4 292.07355 73937-37-8 knapsack NA NA +FL3F1ANF0001 Glabone C18H12O4 292.07355 113807-95-7 knapsack NA NA +FL3F1ANF0002 2-(4-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one C18H12O4 292.07355 70894-15-4 knapsack NA NA +FL3F29NF0002 Kanjone;6-Methoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one C18H12O4 292.07355 1094-12-8 knapsack NA NA +FL3F39NF0001 9-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one C18H12O4 292.07355 64803-88-9 knapsack NA NA +FL3FA9NF0002 Pinnatin;4-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one C18H12O4 292.07355 1232-43-5 knapsack NA NA +FL5F19NF0001 Karanjin;3-Methoxy-2-phenyl-4H-Furo[2,3-h]-1-benzopyran-4-one C18H12O4 292.07355 521-88-0 knapsack NA NA +FL5F19NF0002 Ponganone XI;6-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one C18H12O4 292.07355 142608-97-7 knapsack NA NA +MJ024857 2,5-Bis(3-hydroxyphenyl)-1,4-benzoquinone C18H12O4 292.073558 NA MeJP NA NA +MJ024858 2,5-Dihydroxy-3,6-diphenyl-1,4-benzoquinone C18H12O4 292.073558 NA MeJP NA NA +MJ024859 2-(2-Hydroxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one; Me ether C18H12O4 292.073558 NA MeJP NA NA +MJ024860 2-(Phenylmethylene)benzo[1,2-b:3,4-b']difuran-3(2H)-one; 4-Methoxy C18H12O4 292.073558 NA MeJP NA NA +MJ024861 3-Hydroxy-1,4-diphenyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione C18H12O4 292.073558 NA MeJP NA NA +MJ024862 4-Hydroxy-7-phenyl-9H-furo[2,3-f][1]benzopyran-9-one; Me ether C18H12O4 292.073558 NA MeJP NA NA +MJ024863 6-Hydroxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one; Me ether C18H12O4 292.073558 NA MeJP NA NA +MJ024864 9-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one C18H12O4 292.073558 NA MeJP NA NA +MJ024865 Derriobtusone A C18H12O4 292.073558 NA MeJP NA NA +MJ024866 Glabone C18H12O4 292.073558 NA MeJP NA NA +MJ024867 Isopongaglabol; Me ether C18H12O4 292.073558 NA MeJP NA NA +MJ024868 Kanjone C18H12O4 292.073558 NA MeJP NA NA +MJ024869 Karanjonol; Me ether C18H12O4 292.073558 NA MeJP NA NA +MJ024870 Pinnatin C18H12O4 292.073558 NA MeJP NA NA +MJ024871 Pongaglabol; Me ether C18H12O4 292.073558 NA MeJP NA NA +MJ024872 Pongone C18H12O4 292.073558 NA MeJP NA NA +MJ024873 Przewaquinone B C18H12O4 292.073558 NA MeJP NA NA +MJ024874 Tanshinone I; 19-Hydroxy C18H12O4 292.073558 NA MeJP NA NA +MJ024875 Xerulin; 18-Carboxylic acid C18H12O4 292.073558 NA MeJP NA NA +MJ024876 5-Hydroxy-4-methoxy-2(5H)-furanone, O-?-D-Glucopyranoside C11H16O9 292.079432 NA MeJP NA NA +PJ000191 GCN C9H16N4O5S 292.0842 NA PeJP NA NA +MJ024877 Botryllazine B C17H12N2O3 292.084792 NA MeJP NA NA +MJ024878 Imbiline 1 C17H12N2O3 292.084792 NA MeJP NA NA +MJ024879 Sampangine; 4,9-Dimethoxy C17H12N2O3 292.084792 NA MeJP NA NA +MJ024880 Ethylenediaminetetraacetic acid C10H16N2O8 292.090665 NA MeJP NA NA +MJ024881 N,N'-Ethylenediaminedisuccinic acid C10H16N2O8 292.090665 NA MeJP NA NA +MetaCyc02607 EDTA [] C10H16N2O8 292.090666 NA metacyc NA NA +C00284 EDTA C10H16N2O8 292.0907 NA KEGG NA NA +MJ024882 1,10-Epoxy-3-hydroxy-4,11(13)-germacradiene-12,8:15,6-diolide C15H16O6 292.094688 NA MeJP NA NA +MJ024883 1,10:2,3-Diepoxy-4,11(13)-germacradiene-12,8:15,6-diolide, 11?,13-Dihydro C15H16O6 292.094688 NA MeJP NA NA +MJ024884 1,10:4,5-Diepoxy-7(11)-germacrene-12,8:15,6-diolide C15H16O6 292.094688 NA MeJP NA NA +MJ024885 1,3-Dihydroxy-4,9,11(13)-germacratriene-12,8;14,6-diolide C15H16O6 292.094688 NA MeJP NA NA +MJ024886 1-Hydroxy-4,7(11),9-germacratriene-12,8:15,6-olide, 4?,5?-Epoxide C15H16O6 292.094688 NA MeJP NA NA +MJ024887 10-Hydroxy-7(11),8-eremophiladiene-12,8:15,6-diolide, 8?,9?-Epoxide C15H16O6 292.094688 NA MeJP NA NA +MJ024888 3-Ethyl-5-hydroxy-2,6,7-trimethoxy-1,4-naphthoquinone C15H16O6 292.094688 NA MeJP NA NA +MJ024889 4,5-Epoxy-6-hydroxy-1(10),11(13)-germacradiene-12,8:14,2-diolide C15H16O6 292.094688 NA MeJP NA NA +MJ024890 4,5-Epoxy-8-hydroxy-1(10),7(11)-germacradiene-12,8:15,6-diolide C15H16O6 292.094688 NA MeJP NA NA +MJ024891 6,7-Dihydroxy-4-oxo-2-heptenoic acid, 7-O-Benzoyl, Me ester C15H16O6 292.094688 NA MeJP NA NA +MJ024892 7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one; 7-O-(4-Hydroxy-3-methyl-2-butenyl) (Z-) C15H16O6 292.094688 NA MeJP NA NA +MJ024893 8,12-Epoxy-9-hydroxy-1(10),4,7,11-germacratetraen-15,6-olide, 1?,4?:5?,10?-Diepoxide C15H16O6 292.094688 NA MeJP NA NA +MJ024894 Allamdin C15H16O6 292.094688 NA MeJP NA NA +MJ024895 Altenuene C15H16O6 292.094688 NA MeJP NA NA +MJ024896 Angelicain C15H16O6 292.094688 NA MeJP NA NA +MJ024897 Citreoisocoumarinol; 4'-Ketone, 6-Me ether C15H16O6 292.094688 NA MeJP NA NA +MJ024898 Cnidimol B C15H16O6 292.094688 NA MeJP NA NA +MJ024899 Cnidimol D C15H16O6 292.094688 NA MeJP NA NA +MJ024900 Cnidimol E C15H16O6 292.094688 NA MeJP NA NA +MJ024901 Decursidinol, 5-Methoxy C15H16O6 292.094688 NA MeJP NA NA +MJ024902 Dendryol B; 4,4a-Didehydro C15H16O6 292.094688 NA MeJP NA NA +MJ024903 Goniodiol; 5?-Hydroxy, 2'-Ac C15H16O6 292.094688 NA MeJP NA NA +MJ024904 Goniofufurone; 3-Epimer, 7-Ac C15H16O6 292.094688 NA MeJP NA NA +MJ024905 Goniofufurone; 7-Ac C15H16O6 292.094688 NA MeJP NA NA +MJ024906 Goniopypyrone; 5-Ac C15H16O6 292.094688 NA MeJP NA NA +MJ024907 Goniopypyrone; 7-Ac C15H16O6 292.094688 NA MeJP NA NA +MJ024908 Grandmarin C15H16O6 292.094688 NA MeJP NA NA +MJ024909 Greveichromenol; 3,4-Dihydro, 3R-hydroxy C15H16O6 292.094688 NA MeJP NA NA +MJ024910 Helipyrone C C15H16O6 292.094688 NA MeJP NA NA +MJ024911 Isopurpurasol C15H16O6 292.094688 NA MeJP NA NA +MJ024912 Italicic acid C15H16O6 292.094688 NA MeJP NA NA +MJ024913 Khellactone, 6-Methoxy C15H16O6 292.094688 NA MeJP NA NA +MJ024914 Neoaltenuene C15H16O6 292.094688 NA MeJP NA NA +MJ024915 Neoliacinolide B C15H16O6 292.094688 NA MeJP NA NA +MJ024916 Obtusiprenin; 4'-Hydroxy C15H16O6 292.094688 NA MeJP NA NA +MJ024917 Pentalenolactone F; 1-Oxo C15H16O6 292.094688 NA MeJP NA NA +MJ024918 Picrotoxinin C15H16O6 292.094688 NA MeJP NA NA +MJ024919 Piperolide; 6,7-Dihydro, 6,7-dihydroxy C15H16O6 292.094688 NA MeJP NA NA +MJ024920 Plumericin; 11S,13-Dihydro C15H16O6 292.094688 NA MeJP NA NA +MJ024921 Purpurenol; 5-Demethoxy C15H16O6 292.094688 NA MeJP NA NA +MJ024922 Solaniol C15H16O6 292.094688 NA MeJP NA NA +C09397 Dihydromikanolide C15H16O6 292.0947 NA KEGG NA NA +C09529 Picrotoxinin C15H16O6 292.0947 NA KEGG NA NA +MJ024923 Didemnimide A; N15-Me C16H12N4O2 292.096025 NA MeJP NA NA +MJ024924 Didemnimide A; N17-Me C16H12N4O2 292.096025 NA MeJP NA NA +MJ024925 Climbazole C15H17ClN2O2 292.097855 NA MeJP NA NA +MJ024926 Lortalamine C15H17ClN2O2 292.097855 NA MeJP NA NA +HMDB12197 Canavaninosuccinate C9H16N4O7 292.101898 NA HMDB2010 NA NA +MJ024927 Canavanosuccinic acid C9H16N4O7 292.101898 NA MeJP NA NA +MetaCyc02608 canavaninosuccinate [] C9H16N4O7 292.101899 NA metacyc NA NA +MJ024928 Arazide C10H12N8O3 292.103236 NA MeJP NA NA +MJ024929 Monatin C14H16N2O5 292.105921 NA MeJP NA NA +MJ024930 Pukeleimide, Me ether C14H16N2O5 292.105921 NA MeJP NA NA +CJneg0500 N-Acetyltryptophan isomer [(M-H)+(HCOOH)]- C14H15N2O5 292.106425 C18rt(min)=7 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0500 N-Acetyltryptophan isomer [(M-H)+(HCOOH)]- C14H15N2O5 292.106425 C18rt(min)=7 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +2708 erythromycin inhibitor MTITC 292.1092 MH2+ Inhouse_peptide NA peptide +MJ024931 N-?-Glutamylcysteine; L-L-form, S-Propyl C11H20N2O5S 292.109292 NA MeJP NA NA +C16806 Coumatetralyl C19H16O3 292.1099 NA KEGG NA NA +FL1C19NF0003 Purpuritenin B C19H16O3 292.10994 86293-24-5 knapsack NA NA +FL1C1ANF0001 Purpuritenin A C19H16O3 292.10994 83728-90-9 knapsack NA NA +MJ024932 1,7-Bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one C19H16O3 292.109944 NA MeJP NA NA +MJ024933 Eupomatenoid 3 C19H16O3 292.109944 NA MeJP NA NA +MJ024934 Plectranthone C C19H16O3 292.109944 NA MeJP NA NA +MJ024935 Purpuritenin A C19H16O3 292.109944 NA MeJP NA NA +MJ024936 Purpuritenin B C19H16O3 292.109944 NA MeJP NA NA +MJ024937 Tanshinone II; 1,2-Didehydro C19H16O3 292.109944 NA MeJP NA NA +MJ024938 Terferol C19H16O3 292.109944 NA MeJP NA NA +MJ024939 3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one, O-?-D-Glucopyranoside C12H20O8 292.115817 NA MeJP NA NA +MJ024940 3,4-Dihydro-2-methyl-2H-pyran-3,4-diol, 4-O-?-D-Glucopyranoside C12H20O8 292.115817 NA MeJP NA NA +MJ024941 4-Cyclohexene-1,2,3-triol, 3-O-?-D-Glucopyranoside C12H20O8 292.115817 NA MeJP NA NA +MJ024942 Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone, O-?-D-Glucopyranoside C12H20O8 292.115817 NA MeJP NA NA +MJ024943 Wilforibiose C12H20O8 292.115817 NA MeJP NA NA +3319 NA HH 292.116 celiac toxic Inhouse_peptide NA peptide +CJneg0501 Methylglutaric acid [(2M-H)]- C12H19O8 292.116325 C18rt(min)=5.15 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0501 Methylglutaric acid [(2M-H)]- C12H19O8 292.116325 C18rt(min)=5.15 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ024944 3-Benzyl-6-benzylidene-2,5-piperazinedione C18H16N2O2 292.121177 NA MeJP NA NA +MJ024945 6-(3-Methyl-2-butenyl)-1-phenazinecarboxylic acid C18H16N2O2 292.121177 NA MeJP NA NA +MJ024946 Dragabine C18H16N2O2 292.121177 NA MeJP NA NA +MJ024947 Vincarpine; Dihydro C18H16N2O2 292.121177 NA MeJP NA NA +C11163 INF271 C18H16N2O2 292.1212 NA KEGG NA NA +MJ024948 N-[3-[5-(4-Fluorophenyl)tetrahydro-2-furanyl]-1-methyl-2-propynyl]-N-hydroxyurea C15H17FN2O3 292.12232 NA MeJP NA NA +MJ024949 5-Hydroxy-2,7-dimethyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran, 8-Chloro C17H21ClO2 292.123007 NA MeJP NA NA +3712 NA FYQQ 292.1235 MH2+ Inhouse_peptide NA peptide +MJ024950 Agropine C11H20N2O7 292.127051 NA MeJP NA NA +MJ024951 Bifluranol C17H18F2O2 292.127486 NA MeJP NA NA +PJ000192 HH C12H16N6O3 292.1284 NA PeJP NA NA +MJ024952 1-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-(2-methylpropanoyl), 1-Ac C16H20O5 292.131073 NA MeJP NA NA +MJ024953 1-O-Coumaroylglycerol, 4'-Me ether, 2,3-O-isopropylidene C16H20O5 292.131073 NA MeJP NA NA +MJ024954 11-Hydroxy-12-methoxydihydrokawain, Me ether C16H20O5 292.131073 NA MeJP NA NA +MJ024955 11-Hydroxy-3,8-dioxo-1,4-eudesmadien-12-oic acid, Me ester C16H20O5 292.131073 NA MeJP NA NA +MJ024956 15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, Me ester C16H20O5 292.131073 NA MeJP NA NA +MJ024957 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-O-(2-methylpropanoyl), 1-Ac C16H20O5 292.131073 NA MeJP NA NA +MJ024958 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 4-Methyl-3-oxopentyl ester C16H20O5 292.131073 NA MeJP NA NA +MJ024959 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 4-O-(3-Oxohexyl) C16H20O5 292.131073 NA MeJP NA NA +MJ024960 5,7-Dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-propanoic acid; Di-Me ether C16H20O5 292.131073 NA MeJP NA NA +MJ024961 6,7-Epoxy-1-hydroxy-13-nor-9-eremophilene-8,11-dione, Ac C16H20O5 292.131073 NA MeJP NA NA +MJ024962 8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Me ether C16H20O5 292.131073 NA MeJP NA NA +MJ024963 8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 3',7-Di-Me ether C16H20O5 292.131073 NA MeJP NA NA +MJ024964 8-Acetyl-5,6,7-trihydroxy-2,2-dimethyl-2H-1-benzopyran; Tri-Me ether C16H20O5 292.131073 NA MeJP NA NA +MJ024965 8-Hydroxy-1(10),4,7(11)-germacratrien-12,8-olid-15-oic acid, Me ester C16H20O5 292.131073 NA MeJP NA NA +MJ024966 8-Hydroxy-1,3,7(11)-elematrien-12,8-olid-15-oic acid; 8?OH-form, Me ester C16H20O5 292.131073 NA MeJP NA NA +MJ024967 8-Hydroxy-7(11)-eremophilene-12,8:15,6-diolide, Me ether C16H20O5 292.131073 NA MeJP NA NA +MJ024968 Cladosporin C16H20O5 292.131073 NA MeJP NA NA +MJ024969 Coriandrone A C16H20O5 292.131073 NA MeJP NA NA +MJ024970 Coriandrone B C16H20O5 292.131073 NA MeJP NA NA +MJ024971 Curvularin C16H20O5 292.131073 NA MeJP NA NA +MJ024972 Evodione C16H20O5 292.131073 NA MeJP NA NA +MJ024973 Isosecotanapartholide; 3-Epimer, Me ether C16H20O5 292.131073 NA MeJP NA NA +MJ024974 Isosecotanapartholide; Me ether C16H20O5 292.131073 NA MeJP NA NA +MJ024975 Morinin A; 3-Methoxy, 5'-hydroxy C16H20O5 292.131073 NA MeJP NA NA +MJ024976 Sericealactone C16H20O5 292.131073 NA MeJP NA NA +MJ024977 Sinapyl alcohol, 1-O-(3-Methyl-2-butenoyl) C16H20O5 292.131073 NA MeJP NA NA +MJ024978 Sinapyl alcohol, 1-O-Angeloyl C16H20O5 292.131073 NA MeJP NA NA +C11740 SB 206553 C17H16N4O 292.1324 NA KEGG NA NA +MJ024979 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo[1,2-b:4,5-b']dipyrrole-1(2H)-carboxamide C17H16N4O 292.132411 NA MeJP NA NA +HMDB11687 Phenylbutyrylglutamine C15H20N2O4 292.142303 NA HMDB2010 NA NA +MJ024980 Bripiodionene C15H20N2O4 292.142307 NA MeJP NA NA +MJ024981 Ecgonine, O-(2-Pyrrolecarbonyl), Me ester C15H20N2O4 292.142307 NA MeJP NA NA +MJ024982 Epiderstatin C15H20N2O4 292.142307 NA MeJP NA NA +MJ024983 Filaminast C15H20N2O4 292.142307 NA MeJP NA NA +MJ024984 Fusarochromanone C15H20N2O4 292.142307 NA MeJP NA NA +MJ024985 10-Hydroxy-1,3,5,7,10,12,14-amphilectaheptaen-9-one C20H20O2 292.146329 NA MeJP NA NA +MJ024986 3',4',5,6,7-Pentamethylflavone C20H20O2 292.146329 NA MeJP NA NA +MJ024987 3',4',5,6,8-Pentamethylflavone C20H20O2 292.146329 NA MeJP NA NA +MJ024988 Salvilenone C20H20O2 292.146329 NA MeJP NA NA +MJ024989 Serpentene C20H20O2 292.146329 NA MeJP NA NA +C02413 Heptopyranosides C13H24O7 292.1522 NA KEGG NA NA +C02415 Histone-L-lysine C7H13N3O2R2 292.1522 NA KEGG NA NA +MJ024990 Bharhingine C19H20N2O 292.157563 NA MeJP NA NA +MJ024991 Cinchonidine; Ketone C19H20N2O 292.157563 NA MeJP NA NA +MJ024992 Denzimol C19H20N2O 292.157563 NA MeJP NA NA +MJ024993 Ervitsine C19H20N2O 292.157563 NA MeJP NA NA +MJ024994 Luzindole C19H20N2O 292.157563 NA MeJP NA NA +MJ024995 Matadine C19H20N2O 292.157563 NA MeJP NA NA +MJ024996 Meloscine; Natural-form C19H20N2O 292.157563 NA MeJP NA NA +MJ024997 Nor-C-fluorocurarine C19H20N2O 292.157563 NA MeJP NA NA +MJ024998 Rauflorine C19H20N2O 292.157563 NA MeJP NA NA +MJ024999 Strictalamine C19H20N2O 292.157563 NA MeJP NA NA +MJ025000 Vellosimine C19H20N2O 292.157563 NA MeJP NA NA +MJ025001 Melinonine E C19H21N2O(+) 292.157563 NA MeJP NA NA +MetaCyc02609 vellosimine [] C19H20N2O1 292.157563 NA metacyc NA NA +MetaCyc02610 16-epivellosimine [] C19H20N2O1 292.157563 NA metacyc NA NA +C11633 16-Epivellosimine C19H20N2O 292.1576 NA KEGG NA NA +C11634 Vellosimine C19H20N2O 292.1576 NA KEGG NA NA +C16726 Cinchoninone C19H20N2O 292.1576 NA KEGG NA NA +C16846 Cinchonidinone C19H20N2O 292.1576 NA KEGG NA NA +MJ025002 1(10),11(13)-Eremophiladien-12-oic acid; 15-Acetoxy C17H24O4 292.167459 NA MeJP NA NA +MJ025003 1,6-Dihydroxy-4,11-guaiadien-3-one; 6-Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025004 1,9-Dihydroxy-1,3,5-bisabolatrien-15-al; 9-Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025005 1-Hydroxy-3,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025006 1-Hydroxy-4(15)-eudesmen-12,6-olide, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025007 1-Hydroxy-4-eudesmen-12,6-olide, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025008 1-Hydroxy-9,11(13)-eremophiladien-12-oic acid, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025009 11-Hydroxy-14-lychnenoic acid; Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025010 11-Hydroxy-7-drimen-12,11-olide; 11?-form, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025011 11-Hydroxy-8-drimen-12,11-olide; 11?-form, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025012 12,14-Dihydroxy-3(15),6-caryophylladien-8-one, 12-Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025013 12,14-Dihydroxy-3(15),6-caryophylladien-8-one, 14-Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025014 12-Hydroxy-1(10),4,7(11)-germacratrien-8-one, 4?,5?-Epoxide, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025015 12-Hydroxy-1(10),7(11)-germacradiene-5,8-dione, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025016 15-Hydroxy-2,7(14),10-bisabolatrien-12-oic acid; 15-Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025017 2-(7-Hydroxy-3,7-dimethyl-2-octenyl)-6-methoxy-1,4-benzoquinone C17H24O4 292.167459 NA MeJP NA NA +MJ025018 2-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid; 2?-form, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025019 2-Hydroxy-4,7(11)-valerenadien-12-oic acid, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025020 2-Hydroxy-5,11(13)-eudesmadien-12-oic acid, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025021 3,5-Dihydroxy-2(6)-africanen-4-one, 5-Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025022 3-Hydroxy-1(10),11(13)-eremophiladien-12-oic acid, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025023 3-Hydroxy-1(10),4,11(13)-germacratrien-12-oic acid, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025024 3-Hydroxy-1(10),4-cadinadien-15-oic acid; Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025025 3-Hydroxy-1(10),4-germacradien-12,8-olide, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025026 3-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025027 3-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid; 3?-form, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025028 3-Hydroxy-7-drimen-11,12-olide, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025029 3-Hydroxy-7-drimen-12,11-olide, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025030 3-Hydroxy-9,11(13)-eremophiladien-12-oic acid, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025031 3-Scirpenol; 3?-form, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025032 4,10-Dihydroxy-2,8-neolemnadien-5-one, 4-Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025033 4-Hydroxy-11(13)-pseudoguaien-12,6-olide, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025034 4-Scirpenol, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025035 5,7-Dihydroxy-6-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; 5,7-Di-Me, 1'-Et ether C17H24O4 292.167459 NA MeJP NA NA +MJ025036 5-Hydroxy-2,5,10-bisabolatriene-1,4-dione, Hydroquinone, 5-Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025037 6,8-Dihydroxy-1(10),7(11)-eremophiladien-12,8-olide, 8-Et ether C17H24O4 292.167459 NA MeJP NA NA +MJ025038 6-Hydroxy-2-sterpuren-12-oic acid; 14-Hydroxy, 6,14-ethylene acetal C17H24O4 292.167459 NA MeJP NA NA +MJ025039 6-Hydroxy-4,11(13)-eudesmadien-12,8-olide, 11?,13-Dihydro, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025040 6-Hydroxy-7-drimen-12,11-olide, 6-Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025041 6-Hydroxy-7-drimene-11,12-dial, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025042 7-Drimene-3,11,12-triol, 11,12-Dialdehyde, 3-Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025043 8,10-Dihydroxy-3-longipinen-5-one, 8-Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025044 8,12-Epoxy-8,12-dihydroxy-1,7(11)-eremophiladien-3-one, Di-Me ether C17H24O4 292.167459 NA MeJP NA NA +MJ025045 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, 8-Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025046 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025047 8-Hydroxy-3,11(13)-eudesmadien-12-oic acid, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025048 8-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025049 8-Hydroxy-4,11(13)-eudesmadien-12-oic acid; 8?-form, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025050 9,13-Dihydroxy-2(12),10-trichodien-3-one; 13-Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025051 9-Hydroxy-3(15),6-caryophylladien-14-oic acid, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025052 9-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025053 9-Hydroxy-4,11(13)-eudesmadien-12-oic acid, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025054 Albocycline; 7-Demethoxy, 7-oxo C17H24O4 292.167459 NA MeJP NA NA +MJ025055 Botryenalol; 15-Aldehyde C17H24O4 292.167459 NA MeJP NA NA +MJ025056 Caespitin C17H24O4 292.167459 NA MeJP NA NA +MJ025057 Euplotin B; 8-Deoxo C17H24O4 292.167459 NA MeJP NA NA +MJ025058 Fukinanolide; 9?-Hydroxy, 9-Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025059 Furanoeremophilane-3,6-diol, 6-Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025060 Gingerdiones; [6]Gingerdione C17H24O4 292.167459 NA MeJP NA NA +MJ025061 Hillol, Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025062 Lasiodiplodin C17H24O4 292.167459 NA MeJP NA NA +MJ025063 Madolin H; 6,7-Epoxide C17H24O4 292.167459 NA MeJP NA NA +MJ025064 Neolemnane C17H24O4 292.167459 NA MeJP NA NA +MJ025065 Norstrictic acid C17H24O4 292.167459 NA MeJP NA NA +MJ025066 Plagiochiline C; 15-De-Ac C17H24O4 292.167459 NA MeJP NA NA +MJ025067 Rudmollin 4,15-acetal C17H24O4 292.167459 NA MeJP NA NA +MJ025068 Shogaol; 6-Hydroxy C17H24O4 292.167459 NA MeJP NA NA +MJ025069 Subvellerolactone C C17H24O4 292.167459 NA MeJP NA NA +C09741 Trichodermin C17H24O4 292.1675 NA KEGG NA NA +C10459 [6]-Gingerdione C17H24O4 292.1675 NA KEGG NA NA +MJ025070 Lerisetron C18H20N4 292.168796 NA MeJP NA NA +MJ025071 Thioperamide C15H24N4S 292.172167 NA MeJP NA NA +C17933 Thioperamide C15H24N4S 292.1722 NA KEGG NA NA +MJ025072 Angustifoline, N-Methoxycarbonyl C16H24N2O3 292.178692 NA MeJP NA NA +MJ025073 Carteolol C16H24N2O3 292.178692 NA MeJP NA NA +MJ025074 Mamanine; OH-form, 7?-Hydroxy, O6'-Me C16H24N2O3 292.178692 NA MeJP NA NA +MJ025075 Mamanine; OH-form, 8?-Hydroxy, O6'-Me C16H24N2O3 292.178692 NA MeJP NA NA +C06874 Carteolol C16H24N2O3 292.1787 NA KEGG NA NA +MJ025076 3-Octanol, O-?-D-Glucopyranoside C14H28O6 292.188588 NA MeJP NA NA +MJ025077 Octyl glucoside; ?-D-Pyranose-form C14H28O6 292.188588 NA MeJP NA NA +MetaCyc02611 octylglucoside [1-O-n-octyl-β-D-glucopyranoside;OG;beta-D-octyl glucoside;octyl-beta-D-glucoside;] C14H28O6 292.188589 NA metacyc NA NA +MJ025078 2,2,6-Trimethyl-4-(4-quinolinyl)-3-azabicyclo[3.3.1]non-6-ene C20H24N2 292.193948 NA MeJP NA NA +MJ025079 Aristofruticosine C20H24N2 292.193948 NA MeJP NA NA +MJ025080 Aristoteline, 9,10-Didehydro C20H24N2 292.193948 NA MeJP NA NA +MJ025081 Aspidofractinine, 14,15-Didehydro, N1-Me C20H24N2 292.193948 NA MeJP NA NA +MJ025082 Dimetindene C20H24N2 292.193948 NA MeJP NA NA +MJ025083 Elantrine C20H24N2 292.193948 NA MeJP NA NA +MJ025084 Enprazepine C20H24N2 292.193948 NA MeJP NA NA +MJ025085 Peduncularine C20H24N2 292.193948 NA MeJP NA NA +MJ025086 Sorelline C20H24N2 292.193948 NA MeJP NA NA +C01226 12-OPDA C18H28O3 292.2038 NA KEGG NA NA +C04672 (9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid C18H28O3 292.2038 NA KEGG NA NA +C08319 (9Z,11E,13E)-4-Oxooctadeca-9,11,13-trienoic acid C18H28O3 292.2038 NA KEGG NA NA +C13816 (9R,13R)-12-Oxo-phytodienoic acid C18H28O3 292.2038 NA KEGG NA NA +C14911 17beta-Hydroxy-2-oxa-5alpha-androstan-3-one C18H28O3 292.2038 NA KEGG NA NA +C16319 Etherolenic acid C18H28O3 292.2038 NA KEGG NA NA +C16320 Colnelenic acid C18H28O3 292.2038 NA KEGG NA NA +C16324 9,10-EOT C18H28O3 292.2038 NA KEGG NA NA +C16325 10-OPDA C18H28O3 292.2038 NA KEGG NA NA +MJ025087 1-(2,6-Dihydroxyphenyl)-1-dodecanone C18H28O3 292.203844 NA MeJP NA NA +MJ025088 1-(3,4-Dihydroxyphenyl)-5-dodecanone C18H28O3 292.203844 NA MeJP NA NA +MJ025089 1-Heptadecene-11,13-diyne-8,9,10-triol, 8-Me ether C18H28O3 292.203844 NA MeJP NA NA +MJ025090 1-Heptadecene-4,6-diyne-3,9,10-triol, 10-Me ether C18H28O3 292.203844 NA MeJP NA NA +MJ025091 10-Hydroxy-6,8,12,15-octadecatetraenoic acid C18H28O3 292.203844 NA MeJP NA NA +MJ025092 10-Hydroxy-8-octadecen-6-ynoic acid, Ketone C18H28O3 292.203844 NA MeJP NA NA +MJ025093 11-Rotundene-13,15-diol; 15-Ac, 13-Me ether C18H28O3 292.203844 NA MeJP NA NA +MJ025094 12-Hydroxy-6,9,11-dodecatrienoic acid, 6,7-Dihydro, 1,3-hexadienyl ether(Z,Z-) C18H28O3 292.203844 NA MeJP NA NA +MJ025095 12-Hydroxy-9,13,15-octadecatrienoic acid, 12-Ketone C18H28O3 292.203844 NA MeJP NA NA +MJ025096 13-Hydroxy-6,9,11,15-octadecatetraenoic acid C18H28O3 292.203844 NA MeJP NA NA +MJ025097 13-Oxo-14,15-dinor-3-cleroden-17-oic acid; ent-form C18H28O3 292.203844 NA MeJP NA NA +MJ025098 14,15-Dinor-13-oxo-1(10)-halimen-18-oic acid; ent-form C18H28O3 292.203844 NA MeJP NA NA +MJ025099 14,15-Dinor-13-oxo-3-cleroden-18-oic acid; ent-form C18H28O3 292.203844 NA MeJP NA NA +MJ025100 14,15-Dinor-13-oxo-7-labden-17-oic acid C18H28O3 292.203844 NA MeJP NA NA +MJ025101 14,15-Dinor-13-oxo-8(17),11-labdadien-19-oic acid, 11,12-Dihydro C18H28O3 292.203844 NA MeJP NA NA +MJ025102 15-Hydroxy-6,9,12-octadecatrien-16-olide C18H28O3 292.203844 NA MeJP NA NA +MJ025103 16-Hydroxy-6,9,12-octadecatrien-15-olide C18H28O3 292.203844 NA MeJP NA NA +MJ025104 2-Hydroxy-6-undecylbenzoic acid C18H28O3 292.203844 NA MeJP NA NA +MJ025105 3,7-Epoxy-1,10-bisaboladien-12-ol; Propanoyl C18H28O3 292.203844 NA MeJP NA NA +MJ025106 3-(1-Hydroxy-11-dodecenyl)-5-methylene-2(5H)-furanone, Me ether C18H28O3 292.203844 NA MeJP NA NA +MJ025107 4-Oxo-5-(2-pentenyl)-2-cyclopentene-1-octanoic acid C18H28O3 292.203844 NA MeJP NA NA +MJ025108 4-Oxo-9,11,13-octadecatrienoic acid C18H28O3 292.203844 NA MeJP NA NA +MJ025109 6-Hydroxy-7,9-octadecadiynoic acid C18H28O3 292.203844 NA MeJP NA NA +MJ025110 7-Hydroxy-9,12-octadecadien-5-ynoic acid C18H28O3 292.203844 NA MeJP NA NA +MJ025111 8,13-Dihydroxy-15,16-dinor-20-isopimaranoic acid, 20 ? 8 Lactone C18H28O3 292.203844 NA MeJP NA NA +MJ025112 8-Hydroxy-10,12-octadecadiynoic acid C18H28O3 292.203844 NA MeJP NA NA +MJ025113 8-Hydroxy-11,17-octadecadien-9-ynoic acid C18H28O3 292.203844 NA MeJP NA NA +MJ025114 8-Hydroxy-9,11-octadecadiynoic acid C18H28O3 292.203844 NA MeJP NA NA +MJ025115 9-Hydroxy-10,12,15-octadecatrienoic acid, 9-Ketone C18H28O3 292.203844 NA MeJP NA NA +MJ025116 Colnelenic acid C18H28O3 292.203844 NA MeJP NA NA +MJ025117 Dicranenone B1; 6,7,7,8-Tetrahydro C18H28O3 292.203844 NA MeJP NA NA +MJ025118 Ecklonialactone A; 6,7-Dihydro C18H28O3 292.203844 NA MeJP NA NA +MJ025119 Mueggelone C18H28O3 292.203844 NA MeJP NA NA +MJ025120 Obtusilactone; (E)-Isomer, Me ether C18H28O3 292.203844 NA MeJP NA NA +MJ025121 Paradol; [7]Paradol C18H28O3 292.203844 NA MeJP NA NA +MetaCyc02612 (9Z)-(13S)-12,13-epoxyoctadeca-9,11-dienoate [13(s)-EOD;] C18H28O3 292.203845 NA metacyc NA NA +MetaCyc02613 12-oxo-cis-10,15-phytodienoate [12-oxo-cis-10,15-phytodienoic acid;oxophytodienoic acid;(15Z)-12-oxophyto-10,15-dienoate;12-oxo-phytodienoic acid;] C18H28O3 292.203845 NA metacyc NA NA +MetaCyc02614 12,13(S)-epoxylinolenate [12,13(S)-epoxylinolenic acid;epoxylinolenic acid;12,13-epoxy-octadecatrienoic acid;(9Z)-(13S)-12,13-epoxyoctadeca-9,11,15-trienoate;] C18H28O3 292.203845 NA metacyc NA NA +MJ025122 13-Hydroxylupanine; Et ether C17H28N2O2 292.215078 NA MeJP NA NA +MJ025123 3-(12-Nitrododecyl)pyridine C17H28N2O2 292.215078 NA MeJP NA NA +MJ025124 4-Aminobenzoic acid; N-Butyl, diethylaminoethyl ester C17H28N2O2 292.215078 NA MeJP NA NA +MJ025125 Ambucetamide C17H28N2O2 292.215078 NA MeJP NA NA +MJ025126 Endomide C17H28N2O2 292.215078 NA MeJP NA NA +MJ025127 Leucinocaine C17H28N2O2 292.215078 NA MeJP NA NA +MJ025128 3,10,19-Docosatriene-1,8,21-triyne C22H28 292.2191 NA MeJP NA NA +MJ025129 Des-A-26,27-dinor-5,7,9,11,13-ursapentaene C22H28 292.2191 NA MeJP NA NA +MJ025130 Des-A-26,27-dinoroleana-5,7,9,11,13-pentaene C22H28 292.2191 NA MeJP NA NA +C15093 3beta-Fluoroandrost-5-en-17beta-ol C19H29FO 292.2202 NA KEGG NA NA +C01090 16alpha-Hydroxysteroid C19H32O2 292.2402 NA KEGG NA NA +C02159 Hydroxysteroid C19H32O2 292.2402 NA KEGG NA NA +C03050 16beta-Hydroxysteroid C19H32O2 292.2402 NA KEGG NA NA +C03051 17beta-Hydroxysteroid C19H32O2 292.2402 NA KEGG NA NA +C03176 Steroid hydroperoxide C19H32O2 292.2402 NA KEGG NA NA +C03852 Androstan-3alpha,17beta-diol C19H32O2 292.2402 NA KEGG NA NA +C07632 Androstanediol C19H32O2 292.2402 NA KEGG NA NA +C10800 Grevillol C19H32O2 292.2402 NA KEGG NA NA +C12525 5alpha-Androstan-3beta,17beta-diol C19H32O2 292.2402 NA KEGG NA NA +C12526 Transferred to D01127 C19H32O2 292.2402 NA KEGG NA NA +C12527 Transferred to D01128 C19H32O2 292.2402 NA KEGG NA NA +C12528 Transferred to D01129 C19H32O2 292.2402 NA KEGG NA NA +C12529 Transferred to D01130 C19H32O2 292.2402 NA KEGG NA NA +C12530 Transferred to D01131 C19H32O2 292.2402 NA KEGG NA NA +C14975 D-Homo-17a-oxa-5alpha-androstan-3beta-ol C19H32O2 292.2402 NA KEGG NA NA +C15288 5alpha-Androstane-11beta,17beta-diol C19H32O2 292.2402 NA KEGG NA NA +HMDB00369 3b,17b-Dihydroxyetiocholane C19H32O2 292.24023 http://www.hmdb.ca/metabolites/HMDB00369 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00493 5a-Androstane-3b,17b-diol C19H32O2 292.24023 http://www.hmdb.ca/metabolites/HMDB00493 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00551 Etiocholanediol C19H32O2 292.24023 http://www.hmdb.ca/metabolites/HMDB00551 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00554 Dihydroandrosterone C19H32O2 292.24023 http://www.hmdb.ca/metabolites/HMDB00554 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00369 3b,17b-Dihydroxyetiocholane C19H32O2 292.24023 http://www.hmdb.ca/metabolites/HMDB00369 HMDB NA NA +HMDB00383 3a,17a-Dihydroxy-5b-androstane C19H32O2 292.24023 http://www.hmdb.ca/metabolites/HMDB00383 HMDB NA NA +HMDB00412 3b,17a-Dihydroxy-5a-androstane C19H32O2 292.24023 http://www.hmdb.ca/metabolites/HMDB00412 HMDB NA NA +HMDB00458 5a-Androstane-3a,17a-diol C19H32O2 292.24023 http://www.hmdb.ca/metabolites/HMDB00458 HMDB NA NA +HMDB00493 5a-Androstane-3b,17b-diol C19H32O2 292.24023 http://www.hmdb.ca/metabolites/HMDB00493 HMDB NA NA +HMDB00495 Androstanediol C19H32O2 292.24023 http://www.hmdb.ca/metabolites/HMDB00495 HMDB NA NA +HMDB00551 Etiocholanediol C19H32O2 292.24023 http://www.hmdb.ca/metabolites/HMDB00551 HMDB NA NA +HMDB00554 Dihydroandrosterone C19H32O2 292.24023 http://www.hmdb.ca/metabolites/HMDB00554 HMDB NA NA +MJ025131 1-Hydroxy-2,5,10-nonadecatrien-4-one C19H32O2 292.24023 NA MeJP NA NA +MJ025132 1-Hydroxy-2,5,12-nonadecatrien-4-one C19H32O2 292.24023 NA MeJP NA NA +MJ025133 1-Hydroxy-2,5,14-nonadecatrien-4-one C19H32O2 292.24023 NA MeJP NA NA +MJ025134 15-Hydroxy-17-nor-8-labden-7-one; 13S-form C19H32O2 292.24023 NA MeJP NA NA +MJ025135 18-Nor-8(17),13-labdadiene-4,15-diol C19H32O2 292.24023 NA MeJP NA NA +MJ025136 5-Methyl-3-(1-tetradecenyl)-2(5H)-furanone C19H32O2 292.24023 NA MeJP NA NA +MJ025137 5-Tridecyl-1,3-benzenediol C19H32O2 292.24023 NA MeJP NA NA +MJ025138 8,13-Epoxy-3-nor-14-colensen-2-one, 14,15-Dihydro C19H32O2 292.24023 NA MeJP NA NA +MJ025139 8-Hydroxy-15-nor-12-labden-14-al C19H32O2 292.24023 NA MeJP NA NA +MJ025140 Androstane-3,16-diol C19H32O2 292.24023 NA MeJP NA NA +MJ025141 Androstane-3,17-diol C19H32O2 292.24023 NA MeJP NA NA +MetaCyc02615 androstan-3α,17β-diol [10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17- hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol;] C19H32O2 292.24023 NA metacyc NA NA +MetaCyc02616 5-α-androstan-3β,17β-diol [] C19H32O2 292.24023 NA metacyc NA NA +MetaCyc02617 16-β-hydroxysteroid [10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol;] C19H32O2 292.24023 NA metacyc NA NA +MetaCyc02618 16-α-hydroxysteroid [10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol;] C19H32O2 292.24023 NA metacyc NA NA +HMDB00369 3b,17b-Dihydroxyetiocholane C19H32O2 292.24023 http://www.hmdb.ca/metabolites/HMDB00369 PFEM_hmdb_metabocards_blood NA blood +HMDB00493 5a-Androstane-3b,17b-diol C19H32O2 292.24023 http://www.hmdb.ca/metabolites/HMDB00493 PFEM_hmdb_metabocards_blood NA blood +HMDB00551 Etiocholanediol C19H32O2 292.24023 http://www.hmdb.ca/metabolites/HMDB00551 PFEM_hmdb_metabocards_blood NA blood +HMDB00554 Dihydroandrosterone C19H32O2 292.24023 http://www.hmdb.ca/metabolites/HMDB00554 PFEM_hmdb_metabocards_blood NA blood +HMDB00369 3b,17b-Dihydroxyetiocholane C19H32O2 292.24023 HMDB00369 PFEM_hmdb_metabocards_official NA NA +HMDB00383 3a,17a-Dihydroxy-5b-androstane C19H32O2 292.24023 HMDB00383 PFEM_hmdb_metabocards_official NA NA +HMDB00412 3b,17a-Dihydroxy-5a-androstane C19H32O2 292.24023 HMDB00412 PFEM_hmdb_metabocards_official NA NA +HMDB00458 5a-Androstane-3a,17a-diol C19H32O2 292.24023 HMDB00458 PFEM_hmdb_metabocards_official NA NA +HMDB00493 5a-Androstane-3b,17b-diol C19H32O2 292.24023 HMDB00493 PFEM_hmdb_metabocards_official NA NA +HMDB00495 Androstanediol C19H32O2 292.24023 HMDB00495 PFEM_hmdb_metabocards_official NA NA +HMDB00551 Etiocholanediol C19H32O2 292.24023 HMDB00551 PFEM_hmdb_metabocards_official NA NA +HMDB00554 Dihydroandrosterone C19H32O2 292.24023 HMDB00554 PFEM_hmdb_metabocards_official NA NA +HMDB00369 3b,17b-Dihydroxyetiocholane C19H32O2 292.240234 NA HMDB2010 NA NA +HMDB00383 3a,17a-Dihydroxy-5b-androstane C19H32O2 292.240234 NA HMDB2010 NA NA +HMDB00412 3b,17a-Dihydroxy-5a-androstane C19H32O2 292.240234 NA HMDB2010 NA NA +HMDB00458 5a-Androstane-3a,17a-diol C19H32O2 292.240234 NA HMDB2010 NA NA +HMDB00493 5a-Androstane-3b,17b-diol C19H32O2 292.240234 NA HMDB2010 NA NA +HMDB00495 Androstanediol C19H32O2 292.240234 NA HMDB2010 NA NA +HMDB00551 Etiocholanediol C19H32O2 292.240234 NA HMDB2010 NA NA +HMDB00554 Dihydroandrosterone C19H32O2 292.240234 NA HMDB2010 NA NA +MJ025142 Hachijodines; Hachijodine A C18H32N2O 292.251463 NA MeJP NA NA +MJ025143 14-Labden-8-ol C20H36O 292.276615 NA MeJP NA NA +MJ025144 3,6,9-Eicosatriene, 9S,10R-Epoxide C20H36O 292.276615 NA MeJP NA NA +MJ025145 4-Eicosen-1-yn-3-ol C20H36O 292.276615 NA MeJP NA NA +MJ025146 6,10,14-Phytatrien-1-ol C20H36O 292.276615 NA MeJP NA NA +MJ025147 8(17)-Labden-15-ol C20H36O 292.276615 NA MeJP NA NA +MJ025148 Ambliofuran; 6,7,10,11,14,15-Hexahydro C20H36O 292.276615 NA MeJP NA NA +MJ025149 Bertosamil C19H36N2 292.287849 NA MeJP NA NA +MJ025150 2-Methyl-2,9-eicosadiene C21H40 292.313001 NA MeJP NA NA +MJ025151 6,9-Heneicosadiene C21H40 292.313001 NA MeJP NA NA +8244 Antioxidative peptide GWNIP 292.63945 MH2+ Inhouse_peptide NA peptide +7571 ACE inhibitor from myosin heavy chain MNPPK 292.64065 MH2+ Inhouse_peptide NA peptide +3618 NA KTPKI 292.6855 MH2+ Inhouse_peptide NA peptide +C14338 Pentachloronitrobenzene C6Cl5NO2 292.8372 NA KEGG NA NA +C16246 3,5-Dibromo-4-hydroxybenzamide C7H5Br2NO2 292.8687 NA KEGG NA NA +MJ025152 2-Amino-3-(3-bromo-5-chloro-4-hydroxyphenyl)propanoic acid C9H9BrClNO3 292.945433 NA MeJP NA NA +MJ025153 4-Fluoro-2-hydroxy-5-(phosphonomethyl)phenylalanine C10H13FNO6P 293.046451 NA MeJP NA NA +C03536 Pyrimidine 5'-nucleotide C9H14N2O7P 293.0539 NA KEGG NA NA +PJ000193 GCD C9H15N3O6S 293.0682 NA PeJP NA NA +MJ025154 1,2,6-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Methylene, 6-Me ether C17H11NO4 293.068807 NA MeJP NA NA +MJ025155 Aristolactam I C17H11NO4 293.068807 NA MeJP NA NA +MJ025156 Cepharadione B; O2,N-Di-de-Me C17H11NO4 293.068807 NA MeJP NA NA +MJ025157 Chaloridone C17H11NO4 293.068807 NA MeJP NA NA +MJ025158 Furalazine; 3-N-Bis(hydroxymethyl) C11H11N5O5 293.076018 NA MeJP NA NA +MJ025159 Antibiotic X 372A C10H16ClN3O5 293.077848 NA MeJP NA NA +C16518 S-(Indolylmethylthiohydroximoyl)-L-cysteine C13H15N3O3S 293.0834 NA KEGG NA NA +C12256 (+)-2,7-Dideoxypancratistatin C14H15NO6 293.0899 NA KEGG NA NA +MJ025160 3,4,7,8-Tetrahydroxy-2-quinolinecarboxylic acid; NH-form, O3,O8,N-Tri-Me, Me ester C14H15NO6 293.089937 NA MeJP NA NA +MJ025161 Glutamic acid, N-(4-Hydroxycinnamoyl)(Z-) C14H15NO6 293.089937 NA MeJP NA NA +MJ025162 Lycoricidine, 1,10b?-Dihydro C14H15NO6 293.089937 NA MeJP NA NA +MJ025163 Reductiomycin C14H15NO6 293.089937 NA MeJP NA NA +C11156 Triadimefon C14H16ClN3O2 293.0931 NA KEGG NA NA +C11157 Transferred to D01044 C14H16ClN3O2 293.0931 NA KEGG NA NA +MJ025164 Amipizone C14H16ClN3O2 293.093104 NA MeJP NA NA +MetaCyc02619 triadimefone [] C14H16N3O2CL1 293.093104 NA metacyc NA NA +PJ000194 GSM C10H19N3O5S 293.1046 NA PeJP NA NA +MJ025165 2-Methyl-1H-indole-3-acetic acid; N-Benzoyl C18H15NO3 293.105193 NA MeJP NA NA +MJ025166 4,5-Diphenyl-2-oxazolepropanoic acid C18H15NO3 293.105193 NA MeJP NA NA +MJ025167 Anonaine, N-Formyl C18H15NO3 293.105193 NA MeJP NA NA +MJ025168 Clausamine B, O-De-Me C18H15NO3 293.105193 NA MeJP NA NA +MJ025169 Clauszoline B C18H15NO3 293.105193 NA MeJP NA NA +MJ025170 Constrictosine; 3-Me ether C18H15NO3 293.105193 NA MeJP NA NA +MJ025171 De-N-methylnoracronycine C18H15NO3 293.105193 NA MeJP NA NA +MJ025172 Dehydroxylopine C18H15NO3 293.105193 NA MeJP NA NA +MJ025173 Gusanlung D C18H15NO3 293.105193 NA MeJP NA NA +MJ025174 Heptazolicine; 1,2-Didehydro C18H15NO3 293.105193 NA MeJP NA NA +MJ025175 Laureline, N-De-Me; 6,6a-didehydro C18H15NO3 293.105193 NA MeJP NA NA +MJ025176 Noracronycine; N-De-Me C18H15NO3 293.105193 NA MeJP NA NA +MJ025177 Pyrayaquinone A C18H15NO3 293.105193 NA MeJP NA NA +MJ025178 Pyrayaquinone B C18H15NO3 293.105193 NA MeJP NA NA +C07356 Oxaprozin C18H15NO3 293.1052 NA KEGG NA NA +MJ025179 3,4-Dihydroxy-3-hydroxymethylbutanoic acid; Nitrile, 4-O-?-D-glucopyranoside (3R-) C11H19NO8 293.111066 NA MeJP NA NA +MJ025180 4-Hydroxy-2-pyrrolidinecarboxylic acid, ?-D-Galactopyranosyl ester C11H19NO8 293.111066 NA MeJP NA NA +MJ025181 4-Hydroxy-2-pyrrolidinecarboxylic acid, O-?-D-Galactopyranoside C11H19NO8 293.111066 NA MeJP NA NA +MJ025182 Agropinic acid C11H19NO8 293.111066 NA MeJP NA NA +MJ025183 Muramic acid, 1'-Epimer, N-Ac C11H19NO8 293.111066 NA MeJP NA NA +MJ025184 Muramic acid, N-Ac C11H19NO8 293.111066 NA MeJP NA NA +MJ025185 N-Acetyl-D-muramoate C11H19NO8 293.111066 NA MeJP NA NA +MetaCyc02620 N-acetylmuramate [MurNAc;N-acetylmuramic acid;NAcMur;2-[3-acetylamino-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoic acid;] C11H19N1O8 293.111067 61633-75-8 metacyc NA NA +C02713 N-Acetylmuramate C11H19NO8 293.1111 NA KEGG NA NA +MJ025186 Cordycepin; 5'-Ac C12H15N5O4 293.112403 NA MeJP NA NA +C15040 GYKI 52466 C17H15N3O2 293.1164 NA KEGG NA NA +MJ025187 4-(8-Methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine C17H15N3O2 293.116426 NA MeJP NA NA +PJ000195 SST C10H19N3O7 293.1223 NA PeJP NA NA +MJ025188 Pimethixene C19H19NS 293.12382 NA MeJP NA NA +MJ025189 Ecgonine, O-(2-Furancarbonyl), Me ester C15H19NO5 293.126322 NA MeJP NA NA +MJ025190 Ecgonine, O-(3-Furancarbonyl), Me ester C15H19NO5 293.126322 NA MeJP NA NA +MJ025191 Mescaline succinimide C15H19NO5 293.126322 NA MeJP NA NA +MJ025192 Obscurolide C2? C15H19NO5 293.126322 NA MeJP NA NA +MetaCyc02621 paclobutrazol [friazole;clipper 50WP;caswell No. 628C;] C15H20N3O1CL1 293.12949 NA metacyc NA NA +PJ000196 QF C14H19N3O4 293.1376 NA PeJP NA NA +MJ025193 2-(3,4-Dihydroxyphenethyl)quinoline; Di-Me ether C19H19NO2 293.141578 NA MeJP NA NA +MJ025194 4-(5-Phenylpentyl)-1H-indole-2,3-dione C19H19NO2 293.141578 NA MeJP NA NA +MJ025195 Annoretine C19H19NO2 293.141578 NA MeJP NA NA +MJ025196 Atanisatine C19H19NO2 293.141578 NA MeJP NA NA +MJ025197 Clausine D; Me ether C19H19NO2 293.141578 NA MeJP NA NA +MJ025198 Clauszoline H C19H19NO2 293.141578 NA MeJP NA NA +MJ025199 Dehydronuciferine C19H19NO2 293.141578 NA MeJP NA NA +MJ025200 Eustifoline A; 2-Methoxy C19H19NO2 293.141578 NA MeJP NA NA +MJ025201 Heptazolidine C19H19NO2 293.141578 NA MeJP NA NA +MJ025202 Indizoline C19H19NO2 293.141578 NA MeJP NA NA +MJ025203 Koenine; Me ether C19H19NO2 293.141578 NA MeJP NA NA +MJ025204 Mupamine C19H19NO2 293.141578 NA MeJP NA NA +MJ025205 Pyrayafoline A C19H19NO2 293.141578 NA MeJP NA NA +MJ025206 Stephenanthrine C19H19NO2 293.141578 NA MeJP NA NA +MJ025207 Roemerine, N-Me C19H20NO2(+) 293.141578 NA MeJP NA NA +C09222 Melosatin B C19H19NO2 293.1416 NA KEGG NA NA +MJ025208 1-(Benzo[b]thiophen-5-yl)-2-(diethylaminoethoxy)ethanol C16H23NO2S 293.144949 NA MeJP NA NA +20 Hemoglobin WVPSV 293.15 MH2+ Inhouse_peptide NA peptide +HMDB05035 Ondansetron C18H19N3O 293.1528 http://www.hmdb.ca/metabolites/HMDB05035 HMDB NA NA +C07325 Ondansetron C18H19N3O 293.1528 NA KEGG NA NA +HMDB05035 Ondansetron C18H19N3O 293.1528 HMDB05035 PFEM_hmdb_metabocards_official NA NA +HMDB05035 Ondansetron C18H19N3O 293.152802 NA HMDB2010 NA NA +MJ025209 Fabesetron C18H19N3O 293.152812 NA MeJP NA NA +MJ025210 Galdansetron C18H19N3O 293.152812 NA MeJP NA NA +MJ025211 N-(2-Methylaminobenzoyl)tryptamine C18H19N3O 293.152812 NA MeJP NA NA +MJ025212 N-[2-(Dimethylamino)ethyl]-4-acridinecarboxamide C18H19N3O 293.152812 NA MeJP NA NA +MJ025213 Ondansetron C18H19N3O 293.152812 NA MeJP NA NA +MJ025214 Tambjamine A; 1''-N-(2-Phenylethyl) C18H19N3O 293.152812 NA MeJP NA NA +MJ025215 Dimazole C15H23N3OS 293.156183 NA MeJP NA NA +3692 NA EIPKT 293.1595 MH2+ Inhouse_peptide NA peptide +3693 NA TKPIE 293.1595 MH2+ Inhouse_peptide NA peptide +7692 ACE inhibitor KF 293.162 antioxidative Inhouse_peptide NA peptide +8248 Renin inhibitor KF 293.162 Dipeptides ;SYN:Anserine; L-Anserine; L-N-b-alanyl-3-methyl-Histidine; N-b-alanyl-3-methyl-L-Histidine; N-beta-Alanyl-3-methyl-L-histidine; beta-alanyl-N(pai)-methyl-L-histidine; L-N-beta-alanyl-3-methyl-HistidineH2Blood; Urine Inhouse_peptide NA peptide +8249 CaMPDE inhibitor KF 293.162 Dipeptides ;SYN:Anserine; L-Anserine; L-N-b-alanyl-3-methyl-Histidine; N-b-alanyl-3-methyl-L-Histidine; N-beta-Alanyl-3-methyl-L-histidine; beta-alanyl-N(pai)-methyl-L-histidine; L-N-beta-alanyl-3-methyl-HistidineH2Blood; Urine Inhouse_peptide NA peptide +MJ025216 3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether, 2-methylpropylamide C16H23NO4 293.162708 NA MeJP NA NA +MJ025217 3-Hydroxy-2-oxodendrobine C16H23NO4 293.162708 NA MeJP NA NA +MJ025218 Anisomycin, O-De-Ac, 3-butanoyl C16H23NO4 293.162708 NA MeJP NA NA +MJ025219 Cinamolol C16H23NO4 293.162708 NA MeJP NA NA +MJ025220 Delavayine C C16H23NO4 293.162708 NA MeJP NA NA +MJ025221 Promolate C16H23NO4 293.162708 NA MeJP NA NA +MJ025222 Streptimidone C16H23NO4 293.162708 NA MeJP NA NA +C08159 Anastrozole C17H19N5 293.164 NA KEGG NA NA +MJ025223 Anastrozole C17H19N5 293.164045 NA MeJP NA NA +PJ000197 KF C15H23N3O3 293.174 NA PeJP NA NA +MJ025224 Nafenodone C20H23NO 293.177964 NA MeJP NA NA +MJ025225 Nortriptyline; N-Me, N-oxide C20H23NO 293.177964 NA MeJP NA NA +MJ025226 Oxaprotiline C20H23NO 293.177964 NA MeJP NA NA +MJ025227 Quifenadine C20H23NO 293.177964 NA MeJP NA NA +MJ025228 Amitraz, ANSI C19H23N3 293.189197 NA MeJP NA NA +MJ025229 Binedaline C19H23N3 293.189197 NA MeJP NA NA +MJ025230 Dabequine C19H23N3 293.189197 NA MeJP NA NA +MJ025231 Prodigiosin; Demethoxy C19H23N3 293.189197 NA MeJP NA NA +C10995 Amitraz C19H23N3 293.1892 NA KEGG NA NA +MJ025232 2-Amino-5-hydroxybenzoic acid; 8-Methylnonyl ester C17H27NO3 293.199093 NA MeJP NA NA +MJ025233 3,4-Dihydroxybenzylamine; 3-Me ether, N-(7-methyloctanoyl) C17H27NO3 293.199093 NA MeJP NA NA +MJ025234 4-Butoxybenzoic acid; 2-(Diethylamino)ethyl ester C17H27NO3 293.199093 NA MeJP NA NA +MJ025235 Embutramide C17H27NO3 293.199093 NA MeJP NA NA +MJ025236 Nobiline C17H27NO3 293.199093 NA MeJP NA NA +MJ025237 Nonivamide C17H27NO3 293.199093 NA MeJP NA NA +MJ025238 Pramocaine C17H27NO3 293.199093 NA MeJP NA NA +MJ025239 Sedinone; Hydroxy, 2''-alcohol C17H27NO3 293.199093 NA MeJP NA NA +MetaCyc02622 (+-)-5-[(tert-butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol [] C17H27N1O3 293.199094 NA metacyc NA NA +C04875 (+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1- C17H27NO3 293.1991 NA KEGG NA NA +C07892 Pramoxine C17H27NO3 293.1991 NA KEGG NA NA +C07893 Transferred to D00739 C17H27NO3 293.1991 NA KEGG NA NA +C07894 Transferred to D00740 C17H27NO3 293.1991 NA KEGG NA NA +MJ025240 1-(3,3-Diphenylpropyl)hexahydro-1H-azepine C21H27N 293.214349 NA MeJP NA NA +MJ025241 4,4-Diphenylcyclohexylamine; N-Isopropyl C21H27N 293.214349 NA MeJP NA NA +MJ025242 4,4-Diphenylpiperidine; N-tert-Butyl C21H27N 293.214349 NA MeJP NA NA +MJ025243 Butriptyline C21H27N 293.214349 NA MeJP NA NA +MJ025244 Prindamine C21H27N 293.214349 NA MeJP NA NA +MJ025245 2,4,8-Tetradecatrienoic acid, 2-Hydroxy-2-methylpropylamide C18H31NO2 293.235479 NA MeJP NA NA +MJ025246 8-Oxo-2,4-tetradecadienoic acid, 2-Methylpropylamide C18H31NO2 293.235479 NA MeJP NA NA +MJ025247 Ketocainol C18H31NO2 293.235479 NA MeJP NA NA +MJ025248 Loesenerine; 17,18Z-Dihydro, N-de-Ac C17H31N3O 293.246712 NA MeJP NA NA +MJ025249 Palustrine, Deoxy C17H31N3O 293.246712 NA MeJP NA NA +MJ025250 2,5-Dialkylpyrrolidines; 2-(5-Hexenyl)-5-nonylpyrrolidine, N-Me C20H39N 293.30825 NA MeJP NA NA +3429 NA EILDV 293.65245 MH2+ Inhouse_peptide NA peptide +2652 synthetic fr, of human beta-CN (168-172) ACE inhibitor VLPYP 293.6595 MH2+ Inhouse_peptide NA peptide +3613 NA RKLDG 293.66345 MH2+ Inhouse_peptide NA peptide +3616 NA KRLDG 293.66345 MH2+ Inhouse_peptide NA peptide +2718 erythromycin inhibitor MVIIL 293.6802 MH2+ Inhouse_peptide NA peptide +C15227 Potassium dichromate Cr2O7 293.7728 NA KEGG NA NA +C03925 3,5-Dibromo-4-hydroxybenzoate C7H4Br2O3 293.8527 NA KEGG NA NA +MJ025251 2,3-Dibromo-4,5-dihydroxybenzaldehyde C7H4Br2O3 293.852719 NA MeJP NA NA +MJ025252 2,3-Dibromo-5-hydroxy-1,4-benzoquinone; Me ether C7H4Br2O3 293.852719 NA MeJP NA NA +MetaCyc02623 3,5-dibromo-4-hydroxybenzoate [] C7H4O3BR2 293.852719 NA metacyc NA NA +MJ025253 (2-Methylpropyl)heptathiocane C5H10S7 293.882745 NA MeJP NA NA +MJ025254 Sodium tungstate(VI) (Na2WO4) Na2O4W 293.91013 NA MeJP NA NA +MJ025255 2,3,5-Tris(methylthio)-1,4-benzenediol; 6-(Methylthio) C10H14O2S4 293.987662 NA MeJP NA NA +C04175 2-Deoxy-D-ribose 1,5-bisphosphate C5H12O10P2 293.9906 NA KEGG NA NA +C06248 D-Ribose 1-diphosphate C5H12O10P2 293.9906 NA KEGG NA NA +C06249 Apo-[carboxylase] C7H13N3O2R2 293.9906 NA KEGG NA NA +C06250 Holo-[carboxylase] C17H27N5O4SR2 293.9906 NA KEGG NA NA +MJ025256 Phorbazole D; 3-Chloro C13H8Cl2N2O2 293.996282 NA MeJP NA NA +MJ025257 Cliprofen C14H11ClO3S 294.011742 NA MeJP NA NA +C14237 4-[2,2-Dichloro-1-(4-methoxyphenyl)ethenyl]phenol C15H12Cl2O2 294.0214 NA KEGG NA NA +MJ025258 Nuclomedone C13H11ClN2O2S 294.022976 NA MeJP NA NA +MetaCyc02624 DCPIP [2,6-dichlorophenolindophenol;] C14H12N2O1CL2 294.032668 NA metacyc NA NA +MJ025259 Hexahydroxy-1,4-naphthoquinone; 2,3-Di-Me, 6,7-methylene ether C13H10O8 294.037567 NA MeJP NA NA +C10406 Tricrozarin A C13H10O8 294.0376 NA KEGG NA NA +MJ025260 Kumepaloxane C12H20BrClO 294.038605 NA MeJP NA NA +MJ025261 Citreochlorol C12H16Cl2O4 294.042564 NA MeJP NA NA +MJ025262 Methoxybrassenin B C13H14N2O2S2 294.049669 NA MeJP NA NA +MJ025263 Wasalexin A C13H14N2O2S2 294.049669 NA MeJP NA NA +MJ025264 Aristololide C17H10O5 294.052823 NA MeJP NA NA +MJ025265 Aurantricholide B; 4'-Deoxy C17H10O5 294.052823 NA MeJP NA NA +MJ025266 Frutinone A; 4-Methoxy C17H10O5 294.052823 NA MeJP NA NA +MJ025267 Ligustrone A; O-De-Me C17H10O5 294.052823 NA MeJP NA NA +MJ025268 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile C17H11ClN2O 294.05599 NA MeJP NA NA +MJ025269 Nifurmazole C11H10N4O6 294.060034 NA MeJP NA NA +MetaCyc02625 pyrimidine-5-nucleotide [] C9H15N2O7P1 294.061687 NA metacyc NA NA +MJ025270 12-Bromo-5,13-epoxy-3,6,9-pentadecatrien-1-yne C15H19BrO 294.061927 NA MeJP NA NA +MJ025271 13-Bromo-5,12-epoxy-3,6,9-pentadecatrien-1-yne C15H19BrO 294.061927 NA MeJP NA NA +MJ025272 15-Bromo-1,3(15),7-chamigratrien-9-one C15H19BrO 294.061927 NA MeJP NA NA +MJ025273 9-(Bromomethylene)-1,2,5-trimethylspiro[5.5]undeca-1,7-dien-3-one C15H19BrO 294.061927 NA MeJP NA NA +MJ025274 Aplysin C15H19BrO 294.061927 NA MeJP NA NA +MJ025275 Cupalaurenol C15H19BrO 294.061927 NA MeJP NA NA +MJ025276 Cyclolaurene; 10-Bromo, 7-hydroxy C15H19BrO 294.061927 NA MeJP NA NA +MJ025277 Cyclolaurene; 7-Bromo, 10-hydroxy C15H19BrO 294.061927 NA MeJP NA NA +MJ025278 Cyclolaurene; 8-Bromo, 7-hydroxy C15H19BrO 294.061927 NA MeJP NA NA +MJ025279 Filiformin C15H19BrO 294.061927 NA MeJP NA NA +MJ025280 Isolaurenisol C15H19BrO 294.061927 NA MeJP NA NA +MJ025281 Isolaurinterol C15H19BrO 294.061927 NA MeJP NA NA +MJ025282 Laurene; 7-Hydroxy, 10-bromo C15H19BrO 294.061927 NA MeJP NA NA +MJ025283 Laurenisol C15H19BrO 294.061927 NA MeJP NA NA +MJ025284 Chloculol C15H15ClO4 294.065886 NA MeJP NA NA +MJ025285 Estazolam C16H11ClN4 294.067224 NA MeJP NA NA +MJ025286 2-C-Methyl-1,4-erythronolactone, 3-O-(3,4-Dihydroxycinnamoyl) C14H14O7 294.073952 NA MeJP NA NA +C17017 Cyclic de-hypoxanthine futalosine C14H14O7 294.074 NA KEGG NA NA +EUR365 Folate F2 F2 294.074775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR365 Folate F2 NA 294.074775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR365 Folate F2 F2 294.074775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR365 Folate F2 NA 294.074775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR365 Folate F2 F2 294.074775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR365 Folate F2 NA 294.074775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR365 Folate F2 F2 294.074775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR365 Folate F2 F2 294.074775 standards wishlist analysés sur QTOF HMDB NA NA +EUR365 Folate F2 F2 294.074775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR365 Folate F2 NA 294.074775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR365 Folate F2 F2 294.074775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR365 Folate F2 F2 294.074775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ025287 Cysul C12H14N4O3S 294.078661 NA MeJP NA NA +MJ025288 Sulfacitine C12H14N4O3S 294.078661 NA MeJP NA NA +MJ025289 Sulfametomidine C12H14N4O3S 294.078661 NA MeJP NA NA +C13785 TRAM-3 C19H15ClO 294.0811 NA KEGG NA NA +MJ025290 Acromelic acid A; 6-Deoxo, 5,6-didehydro C13H14N2O6 294.085186 NA MeJP NA NA +MJ025291 Sarubicin A C13H14N2O6 294.085186 NA MeJP NA NA +MJ025292 N-?-Glutamylmethionine, S-Oxide C10H18N2O6S 294.088557 NA MeJP NA NA +MJ025293 N-?-Glutamylmethionine; L-L-form, S-Oxide C10H18N2O6S 294.088557 NA MeJP NA NA +C10055 Dehydrocycloguanandin C18H14O4 294.0892 NA KEGG NA NA +FL1B19NF0001 Castillene A C18H14O4 294.0892 126585-60-2 knapsack NA NA +FL1CHYNF0003 Pongamol C18H14O4 294.0892 484-33-3 knapsack NA NA +FL2F29NF0001 6-Methoxy-[2'',3'':7,8]furanoflavanone C18H14O4 294.0892 500342-66-5 knapsack NA NA +FL4D19NF0001 3-Methoxy-[2'',3'':7,8]furanoflavanone C18H14O4 294.0892 329027-34-1 knapsack NA NA +FLIA19NM0003 7-Acetyloxy-2-methylisoflavone C18H14O4 294.0892 3211-63-0 knapsack NA NA +FLIA19NM0004 Glyzarin C18H14O4 294.0892 62820-28-4 knapsack NA NA +FLID1ANF0003 9-O-Methylneodunol C18H14O4 294.0892 53833-80-0 knapsack NA NA +MJ025294 1,2,7,8-Pyrenetetrol; 1,8-Di-Me ether C18H14O4 294.089208 NA MeJP NA NA +MJ025295 1,2-Dihydro-1,6-dimethylfuro[3,2-c]naphth[2,1-e]oxepine-10,12-dione C18H14O4 294.089208 NA MeJP NA NA +MJ025296 14,16-Epoxy-3-hydroxy-19,20-dinor-4(18),5,7,9,13,15-abietahexaene-11,12-dione; 3?-form C18H14O4 294.089208 NA MeJP NA NA +MJ025297 2,3-Dihydro-3-methoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one C18H14O4 294.089208 NA MeJP NA NA +MJ025298 3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one; Me ether C18H14O4 294.089208 NA MeJP NA NA +MJ025299 7-Hydroxy-2-methylisoflavone; Ac C18H14O4 294.089208 NA MeJP NA NA +MJ025300 Castillene B; O3-De-Me, 3-ketone C18H14O4 294.089208 NA MeJP NA NA +MJ025301 Dehydrocycloguanandin C18H14O4 294.089208 NA MeJP NA NA +MJ025302 Glyzarin C18H14O4 294.089208 NA MeJP NA NA +MJ025303 Hypericanarin B C18H14O4 294.089208 NA MeJP NA NA +MJ025304 Hyperxanthone; 5-Deoxy C18H14O4 294.089208 NA MeJP NA NA +MJ025305 Neodunol; Me ether C18H14O4 294.089208 NA MeJP NA NA +MJ025306 Pongamol C18H14O4 294.089208 NA MeJP NA NA +MJ025307 Psorothamnone B C18H14O4 294.089208 NA MeJP NA NA +MJ025308 Rubrolide E; 4''-Me ether C18H14O4 294.089208 NA MeJP NA NA +MJ025309 Tanshinketolactone C18H14O4 294.089208 NA MeJP NA NA +MJ025310 Trijuganone A C18H14O4 294.089208 NA MeJP NA NA +MJ025311 Didemnoline A; Debromo C16H14N4S 294.093917 NA MeJP NA NA +MJ025312 3,4-Dihydroxy-2-methylenebutanoic acid, ?-D-Glucopyranosyl ester C11H18O9 294.095082 NA MeJP NA NA +MJ025313 3,4-Dihydroxy-2-methylenebutanoic acid, D-Glucopyranos-6-yl ester C11H18O9 294.095082 NA MeJP NA NA +MJ025314 6-Tuliposide A; 3'S-Hydroxy C11H18O9 294.095082 NA MeJP NA NA +MJ025315 Amabiose C11H18O9 294.095082 NA MeJP NA NA +MetaCyc02626 α-D-fructofuranose β-D-fructofuranose 1,2':2,3'-dianhydride [DFA III;] C11H18O9 294.095082 NA metacyc NA NA +C08570 Tuliposide B C11H18O9 294.0951 NA KEGG NA NA +MJ025316 Cyclopenin C17H14N2O3 294.100442 NA MeJP NA NA +MJ025317 Pedatisectine C C17H14N2O3 294.100442 NA MeJP NA NA +MJ025318 Rosoxacin C17H14N2O3 294.100442 NA MeJP NA NA +MJ025319 Bucloxic acid C16H19ClO3 294.102272 NA MeJP NA NA +C03411 N-Glycosyl-L-asparagine C10H18N2O8 294.1063 NA KEGG NA NA +C03412 N-Palmitoylglycoprotein C10H18N2O8 294.1063 NA KEGG NA NA +MJ025320 Distichonic acid A C10H18N2O8 294.106315 NA MeJP NA NA +CJpos0704 1-methylnicotinamide 2-Methylnicotinamide [(2M-H)+Na]+ C14H16N4NaO2 294.108675 C18rt(min)=0.85 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0704 1-methylnicotinamide § 2-Methylnicotinamide [(2M-H)+Na]+ C14H16N4NaO2 294.108675 C18rt(min)=0.85 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +8250 CaMPDE inhibitor EF 294.11 Short chain acyl carnitines ;SYN:(-)-Acetylcarnitine; (R)-Acetylcarnitine; ALCAR; Acetyl-L-(-)-carnitine; Acetyl-L-carnitine; Acetylcarnitine; L-Acetylcarnitine; L-Carnitine acetyl ester; L-O-Acetylcarnitine; Levocarnitine acetyl; Nicetile; O-Acetyl-L-carnitine; O-Acetylcarnitine; (+-)-Acetylcarnitine; Acetyl-carnitineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +8251 Renin inhibitor EF 294.11 Short chain acyl carnitines ;SYN:(-)-Acetylcarnitine; (R)-Acetylcarnitine; ALCAR; Acetyl-L-(-)-carnitine; Acetyl-L-carnitine; Acetylcarnitine; L-Acetylcarnitine; L-Carnitine acetyl ester; L-O-Acetylcarnitine; Levocarnitine acetyl; Nicetile; O-Acetyl-L-carnitine; O-Acetylcarnitine; (+-)-Acetylcarnitine; Acetyl-carnitineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +C09570 Tutin C15H18O6 294.1103 NA KEGG NA NA +MJ025321 1,2:3,4-Diepoxy-8,10-dihydroxy-11(13)-guaien-12,6-olide C15H18O6 294.110338 NA MeJP NA NA +MJ025322 4,5-Dihydroxy-1(10),7(11)-germacradiene-12,8:15,6-diolide C15H18O6 294.110338 NA MeJP NA NA +MJ025323 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-Me ether, 8-O-(4-hydroxy-3-methylbutyl) C15H18O6 294.110338 NA MeJP NA NA +MJ025324 5,9,10-Trihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide C15H18O6 294.110338 NA MeJP NA NA +MJ025325 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(2,3-Dihydroxy-3-methylbutyl), O8-Me C15H18O6 294.110338 NA MeJP NA NA +MJ025326 7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(2,3-Dihydroxy-3-methylbutyl), O7-Me C15H18O6 294.110338 NA MeJP NA NA +MJ025327 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(2,3-Dihydroxy-3-methylbutyl) C15H18O6 294.110338 NA MeJP NA NA +MJ025328 7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one C15H18O6 294.110338 NA MeJP NA NA +MJ025329 ?-Tutin C15H18O6 294.110338 NA MeJP NA NA +MJ025330 Aduncin C15H18O6 294.110338 NA MeJP NA NA +MJ025331 Antibiotic LL-D253?; 7-Ac C15H18O6 294.110338 NA MeJP NA NA +MJ025332 Araneophthalide C15H18O6 294.110338 NA MeJP NA NA +MJ025333 Arteludovicinolide B; 2-Epimer C15H18O6 294.110338 NA MeJP NA NA +MJ025334 Arteludovicinolide D C15H18O6 294.110338 NA MeJP NA NA +MJ025335 Asteromurin A C15H18O6 294.110338 NA MeJP NA NA +MJ025336 Chilenone B C15H18O6 294.110338 NA MeJP NA NA +MJ025337 Chrysanthone C C15H18O6 294.110338 NA MeJP NA NA +MJ025338 Citreoviranol C15H18O6 294.110338 NA MeJP NA NA +MJ025339 Corianin C15H18O6 294.110338 NA MeJP NA NA +MJ025340 Crithmifolide C15H18O6 294.110338 NA MeJP NA NA +MJ025341 Dendryol B C15H18O6 294.110338 NA MeJP NA NA +MJ025342 Diversonol C15H18O6 294.110338 NA MeJP NA NA +MJ025343 Italicic acid; 3',4'-Dihydro C15H18O6 294.110338 NA MeJP NA NA +MJ025344 Italicinic acid C15H18O6 294.110338 NA MeJP NA NA +MJ025345 Merrilactone A C15H18O6 294.110338 NA MeJP NA NA +MJ025346 Pentalenolactone F; 1?-Hydroxy C15H18O6 294.110338 NA MeJP NA NA +MJ025347 Pentalenolactone O C15H18O6 294.110338 NA MeJP NA NA +MJ025348 Phomopsolide A C15H18O6 294.110338 NA MeJP NA NA +MJ025349 Riburonic acid; ?-D-Furanose-form, Benzyl glycoside, 2,3-O-isopropylidene C15H18O6 294.110338 NA MeJP NA NA +MJ025350 Scytalol A C15H18O6 294.110338 NA MeJP NA NA +MJ025351 Tutin C15H18O6 294.110338 NA MeJP NA NA +MJ025352 Zhebeiresinol; 7-Epimer, Me ether C15H18O6 294.110338 NA MeJP NA NA +3083 NA DSDPR 294.1194 MH2+ Inhouse_peptide NA peptide +3327 NA DSDPR 294.1194 MH2+ Inhouse_peptide NA peptide +MJ025353 ?-Glutamyl-?-phenyl-?-alanine; L-L-form C14H18N2O5 294.121571 NA MeJP NA NA +MJ025354 ?-Glutamyl-?-phenyl-?-alanine; LGlu-D-form C14H18N2O5 294.121571 NA MeJP NA NA +MJ025355 Acitemate C14H18N2O5 294.121571 NA MeJP NA NA +MJ025356 Antibiotic RK 1441A C14H18N2O5 294.121571 NA MeJP NA NA +MJ025357 Aspartame C14H18N2O5 294.121571 NA MeJP NA NA +MJ025358 Chicamycin A C14H18N2O5 294.121571 NA MeJP NA NA +MJ025359 Kelatorphan C14H18N2O5 294.121571 NA MeJP NA NA +MJ025360 Lidofenin C14H18N2O5 294.121571 NA MeJP NA NA +MJ025361 N-?-Glutamylphenylalanine; L-L-form C14H18N2O5 294.121571 NA MeJP NA NA +MJ025362 N-Alanyltyrosine; L-L-form, N-Ac C14H18N2O5 294.121571 NA MeJP NA NA +MetaCyc02627 aspartame [] C14H18N2O5 294.121572 NA metacyc NA NA +HMDB00594 Glutamylphenylalanine C14H18N2O5 294.12158 http://www.hmdb.ca/metabolites/HMDB00594 HMDB NA NA +HMDB01894 Aspartame C14H18N2O5 294.12158 http://www.hmdb.ca/metabolites/HMDB01894 HMDB NA NA +HMDB00594 Glutamylphenylalanine C14H18N2O5 294.12158 HMDB00594 PFEM_hmdb_metabocards_official NA NA +HMDB01894 Aspartame C14H18N2O5 294.12158 HMDB01894 PFEM_hmdb_metabocards_official NA NA +HMDB00594 Glutamylphenylalanine C14H18N2O5 294.121582 NA HMDB2010 NA NA +HMDB01894 Aspartame C14H18N2O5 294.121582 NA HMDB2010 NA NA +C11045 Aspartame C14H18N2O5 294.1216 NA KEGG NA NA +PJ000198 EF C14H18N2O5 294.1216 NA PeJP NA NA +MJ025363 1,13-Diisothiocyanato-1,12-tridecadiene C15H22N2S2 294.12244 NA MeJP NA NA +MJ025364 Meribendan C15H14N6O 294.122909 NA MeJP NA NA +MJ025365 1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene C19H18O3 294.125594 NA MeJP NA NA +MJ025366 18(4?3)-Abeo-2-hydroxy-20-nor-1,3,5(10),6,8,13-abietahexaene-11,12-dione C19H18O3 294.125594 NA MeJP NA NA +MJ025367 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3-methyl-5-(1-propenyl)benzofuran, 3',4'-Methylene ether C19H18O3 294.125594 NA MeJP NA NA +MJ025368 2-(4-Hydroxyphenyl)-5-(1-propenyl)benzofuran; 2'-Methoxy, Me ether C19H18O3 294.125594 NA MeJP NA NA +MJ025369 4-[5-(4-Hydroxyphenoxy)-3-penten-1-ynyl]phenol, Di-Me ether C19H18O3 294.125594 NA MeJP NA NA +MJ025370 Alnusone C19H18O3 294.125594 NA MeJP NA NA +MJ025371 Eupomatenoid 6; 3'-Methoxy C19H18O3 294.125594 NA MeJP NA NA +MJ025372 Eupomatenoid 6; 7-Methoxy C19H18O3 294.125594 NA MeJP NA NA +MJ025373 Isotanshinone IIB; 18-Deoxy C19H18O3 294.125594 NA MeJP NA NA +MJ025374 Tanshinone II C19H18O3 294.125594 NA MeJP NA NA +MJ025375 Trideoxy-8-asadaninene C19H18O3 294.125594 NA MeJP NA NA +C15049 (2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone C19H18O3 294.1256 NA KEGG NA NA +MJ025376 3-Hydroxybutanoic acid, Et ester, O-?-D-glucopyranoside C12H22O8 294.131467 NA MeJP NA NA +MJ025377 Arginine, N2-(4-Hydroxybenzoyl) C13H18N4O4 294.132805 NA MeJP NA NA +C15193 2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol C18H18N2O2 294.1368 NA KEGG NA NA +MJ025378 3,6-Dibenzyl-2,5-piperazinedione C18H18N2O2 294.136827 NA MeJP NA NA +MJ025379 3-[(2,4-Dimethoxyphenyl)methylene]-3,4,5,6-tetrahydro-2,3'-bipyridine, 4-O-De-Me C18H18N2O2 294.136827 NA MeJP NA NA +MJ025380 10-Chloro-1,16-heptadecadiene-4,6-diyne-3,9-diol C17H23ClO2 294.138657 NA MeJP NA NA +MJ025381 6-Acetoxy-7-chloro-3,9,12-pentadecatrien-1-yne C17H23ClO2 294.138657 NA MeJP NA NA +MJ025382 7-Chloro-3,9,12-pentadecatrien-1-yn-6-ol, Ac C17H23ClO2 294.138657 NA MeJP NA NA +MJ025383 (2-Hexanoyl-3,5-dihydroxyphenyl)acetic acid; Et ester C16H22O5 294.146723 NA MeJP NA NA +MJ025384 1,10-Epoxy-6,8-dihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether C16H22O5 294.146723 NA MeJP NA NA +MJ025385 1,13-Dihydroxy-4-oxo-2-pseudoguaien-12,6-olide, 13-Me ether C16H22O5 294.146723 NA MeJP NA NA +MJ025386 1,4,10-Trihydroxy-2,11(13)-guaiadien-12,6-olide, 1-Me ether C16H22O5 294.146723 NA MeJP NA NA +MJ025387 1,4-Dihydroxy-9-oxo-1,3,5-bisabolatrien-15-oic acid, Me ester C16H22O5 294.146723 NA MeJP NA NA +MJ025388 1,5:3,4-Diepoxy-10-hydroxy-12,6-guaianolide, Me ether C16H22O5 294.146723 NA MeJP NA NA +MJ025389 1-(2,3,4,5-Tetrahydroxyphenyl)-1-propanone; 3,5-Di-Me ether, 4-O-(3-methyl-2-butenyl) C16H22O5 294.146723 NA MeJP NA NA +MJ025390 1-(2-Hydroxyethyl)-1,4-cyclohexanediol, 2'-(4-Hydroxyphenylacetyl) C16H22O5 294.146723 NA MeJP NA NA +MJ025391 15-Hydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, Me ester C16H22O5 294.146723 NA MeJP NA NA +MJ025392 2-Hydroxylemnoliadione; Ac C16H22O5 294.146723 NA MeJP NA NA +MJ025393 3,5-Dihydroxy-2-(1-oxooctyl)benzeneacetic acid C16H22O5 294.146723 NA MeJP NA NA +MJ025394 4,5-Epoxy-3,10-dihydroxy-1-guaien-12,6-olide, 10-Me ether C16H22O5 294.146723 NA MeJP NA NA +MJ025395 5,10-Epoxypinguisan-11,6-olid-15-oic acid, Me ester C16H22O5 294.146723 NA MeJP NA NA +MJ025396 5,7,8-Trihydroxy-6-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; 5,7,8-Tri-Me ether C16H22O5 294.146723 NA MeJP NA NA +MJ025397 6-Hydroxy-5(10)-pinguisen-11,6-olid-15-oic acid; 6à OH-form, 6-Me ether C16H22O5 294.146723 NA MeJP NA NA +MJ025398 7-Hydroxy-13,14,15,16-tetranor-3-cleroden-18,19-olide C16H22O5 294.146723 NA MeJP NA NA +MJ025399 8-Acetyl-5,6,7-trihydroxy-2,2-dimethyl-2H-1-benzopyran; 1'-Alcohol, 5,6,7-tri-Me ether C16H22O5 294.146723 NA MeJP NA NA +MJ025400 8-Hydroxy-13,14,15,16-tetranor-6-labden-12,17-olid-19-oic acid; 8?-form C16H22O5 294.146723 NA MeJP NA NA +MJ025401 8-Hydroxy-8-methoxy-3-oxo-1,7(11)-eremophiladien-12-oic acid C16H22O5 294.146723 NA MeJP NA NA +MJ025402 9-Hydroxy-13,14,15,16-tetranor-7-labden-12,17-olid-19-oic acid; 9?-form C16H22O5 294.146723 NA MeJP NA NA +MJ025403 Altamisic acid; Me ester C16H22O5 294.146723 NA MeJP NA NA +MJ025404 Emmotin A; 15-Hydroxy C16H22O5 294.146723 NA MeJP NA NA +MJ025405 Evodione; 1'-Alcohol C16H22O5 294.146723 NA MeJP NA NA +MJ025406 Gregatin C C16H22O5 294.146723 NA MeJP NA NA +MJ025407 Illicinone E; Me ether C16H22O5 294.146723 NA MeJP NA NA +MJ025408 Lasiodiplodin, 5R-Hydroxy, O-de-Me C16H22O5 294.146723 NA MeJP NA NA +MJ025409 Lasiodiplodin, 6R-Hydroxy, O-de-Me C16H22O5 294.146723 NA MeJP NA NA +MJ025410 Nivefuranone A; 1',2'-Dihydro, 2'-methoxy C16H22O5 294.146723 NA MeJP NA NA +MJ025411 Phacidin C16H22O5 294.146723 NA MeJP NA NA +MJ025412 Phaseic acid, Me ester C16H22O5 294.146723 NA MeJP NA NA +MJ025413 Sinapyl alcohol, 1-O-(3-Methylbutanoyl) C16H22O5 294.146723 NA MeJP NA NA +MJ025414 Tagetolone; 4,5-Didehydro(Z-), 15-hydroxy C16H22O5 294.146723 NA MeJP NA NA +MJ025415 Tocopheronic acid C16H22O5 294.146723 NA MeJP NA NA +3381 ACE inhibitor LY 294.147 celiac toxic Inhouse_peptide NA peptide +3383 ACE inhibitor IY 294.147 celiac toxic Inhouse_peptide NA peptide +3550 ACE inhibitor (from bovine beta-Lg) YL 294.147 ACE inhibitor Inhouse_peptide NA peptide +7872 peptide from soybean protein isolates: beta-conglycinin and glycinin LY 294.147 antioxidative Inhouse_peptide NA peptide +7873 peptide from soybean protein isolates: beta-conglycinin and glycinin IY 294.147 antioxidative Inhouse_peptide NA peptide +8310 Anxiolytic peptide YL 294.147 Aliphatic glycine conjugates ;SYN:2-(3-methylbutanoylamino)ethanoate; 2-(3-methylbutanoylamino)ethanoic acid; Isovalerylglycine; N-Isovaleroylglycine; N-isovaleryl-glycine; [(3-methylbutanoyl)amino]acetate; [(3-methylbutanoyl)amino]acetic acid;3-methylbutyrylglycineH2Blood; Urine Inhouse_peptide NA peptide +MJ025416 Alosetron C17H18N4O 294.148061 NA MeJP NA NA +MJ025417 3-Aminopiperidine, 3-N-(3,4,5-Trimethoxybenzoyl) C15H22N2O4 294.157957 NA MeJP NA NA +MJ025418 N-(3-Amino-2-hydroxy-1-oxo-4-phenylbutyl)valine C15H22N2O4 294.157957 NA MeJP NA NA +MJ025419 Subaphylline; 5'-Methoxy C15H22N2O4 294.157957 NA MeJP NA NA +PJ000199 LY C15H22N2O4 294.158 NA PeJP NA NA +MJ025420 1,6-Bis(4-methoxyphenyl)-1,5-hexadiene C20H22O2 294.161979 NA MeJP NA NA +MJ025421 2,3-Bis(3-methyl-2-butenyl)-1,4-naphthoquinone C20H22O2 294.161979 NA MeJP NA NA +MJ025422 2-(3-Methyl-2-butenyl)-5-(2-phenylethenyl)-1,3-benzenediol; Mono-Me ether C20H22O2 294.161979 NA MeJP NA NA +MJ025423 7-Hydroxy-2,2-dimethyl-5-(2-phenylethyl)-2H-1-benzopyran; Me ether C20H22O2 294.161979 NA MeJP NA NA +MJ025424 Eryvariestyrene C20H22O2 294.161979 NA MeJP NA NA +MJ025425 Hermosillol; Me ether C20H22O2 294.161979 NA MeJP NA NA +MJ025426 Norgestrienone C20H22O2 294.161979 NA MeJP NA NA +MJ025427 Radulanin A; Me ether C20H22O2 294.161979 NA MeJP NA NA +MJ025428 Tylimanthin B; Me ether C20H22O2 294.161979 NA MeJP NA NA +MJ025429 1,10-Bis(2-hydroxyethylthio)decane C14H30O2S2 294.168721 NA MeJP NA NA +C06528 Cinchonine C19H22N2O 294.1732 NA KEGG NA NA +C09149 Eburnamonine C19H22N2O 294.1732 NA KEGG NA NA +C11379 Cinchonidine C19H22N2O 294.1732 NA KEGG NA NA +C11635 10-Deoxysarpagine C19H22N2O 294.1732 NA KEGG NA NA +C16735 Corynantheal C19H22N2O 294.1732 NA KEGG NA NA +C16736 Thiol-containing reductant HSR 294.1732 NA KEGG NA NA +MJ025430 Amedalin C19H22N2O 294.173213 NA MeJP NA NA +MJ025431 Apparicine, 10-Methoxy C19H22N2O 294.173213 NA MeJP NA NA +MJ025432 Benanserin C19H22N2O 294.173213 NA MeJP NA NA +MJ025433 C-Mavacurine; N-De-Me C19H22N2O 294.173213 NA MeJP NA NA +MJ025434 Caracurine VII; Deoxy C19H22N2O 294.173213 NA MeJP NA NA +MJ025435 Cinchonine C19H22N2O 294.173213 NA MeJP NA NA +MJ025436 Corynantheal C19H22N2O 294.173213 NA MeJP NA NA +MJ025437 Eburnamine, 16-Epimer, 14,15-didehydro C19H22N2O 294.173213 NA MeJP NA NA +MJ025438 Eburnamonine C19H22N2O 294.173213 NA MeJP NA NA +MJ025439 Geissoschizol; Aldehyde C19H22N2O 294.173213 NA MeJP NA NA +MJ025440 Henningsiine; N-De(hydroxyacetyl) C19H22N2O 294.173213 NA MeJP NA NA +MJ025441 Homocinchonidine C19H22N2O 294.173213 NA MeJP NA NA +MJ025442 Ketimipramine C19H22N2O 294.173213 NA MeJP NA NA +MJ025443 Kopsinone; 17?-Alcohol, N-de(carbomethoxy) C19H22N2O 294.173213 NA MeJP NA NA +MJ025444 Koumidine C19H22N2O 294.173213 NA MeJP NA NA +MJ025445 Lahoricine C19H22N2O 294.173213 NA MeJP NA NA +MJ025446 Larutensine C19H22N2O 294.173213 NA MeJP NA NA +MJ025447 Methuenine C19H22N2O 294.173213 NA MeJP NA NA +MJ025448 Noxiptiline C19H22N2O 294.173213 NA MeJP NA NA +MJ025449 Quinicine; Demethoxy C19H22N2O 294.173213 NA MeJP NA NA +MJ025450 Retulinal; 16-Epimer, de-Ac C19H22N2O 294.173213 NA MeJP NA NA +MJ025451 Rhazinilam C19H22N2O 294.173213 NA MeJP NA NA +MJ025452 Strempeliopine C19H22N2O 294.173213 NA MeJP NA NA +MJ025453 Strictalamine; 16-Epimer, 17-alcohol C19H22N2O 294.173213 NA MeJP NA NA +MJ025454 Tacamonine C19H22N2O 294.173213 NA MeJP NA NA +MJ025455 Tetraphyllicine; N-De-Me C19H22N2O 294.173213 NA MeJP NA NA +MJ025456 Tombozine C19H22N2O 294.173213 NA MeJP NA NA +MJ025457 Tubotaiwinal C19H22N2O 294.173213 NA MeJP NA NA +MJ025458 Zenkerene; N4-Oxide C19H22N2O 294.173213 NA MeJP NA NA +MJ025459 Dihydrocorynantheol, 3,4,5,6-Tetradehydro C19H23N2O(+) 294.173213 NA MeJP NA NA +MetaCyc02628 10-deoxysarpagine [sarpagan-17-ol;] C19H22N2O1 294.173213 NA metacyc NA NA +2724 erythromycin inhibitor MVLKV 294.1772 MH2+ Inhouse_peptide NA peptide +C09709 Phytuberin C17H26O4 294.1831 NA KEGG NA NA +C10342 Embelin C17H26O4 294.1831 NA KEGG NA NA +C10462 [6]-Gingerol C17H26O4 294.1831 NA KEGG NA NA +HMDB05783 Gingerol C17H26O4 294.183105 NA HMDB2010 NA NA +MJ025460 1(10),4(15)-Germacradiene-2,5,11-triol, 5-Ketone, 2-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025461 1,10-Epoxy-4(15),11-germacradiene-5,9-diol, 9-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025462 1,3,11(13)-Elematriene-12,14,15-triol; 15-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025463 1,7-Dihydroxy-2,10-bisaboladien-4-one; 1-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025464 1-Hydroxy-2,10-bisaboladien-15-oic acid; Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025465 10(14)-Aromadendrene-2,3,4-triol, 2-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025466 12-Hydroxy-1(10),4,7(11)-germacratrien-8-one, 4?,5?-Epoxide, 7?,11?-dihydro, Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025467 12-Hydroxy-1(10),7(11)-germacradiene-5,8-dione, 7?,11-Dihydro, Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025468 14,15,16-Trinor-1(10)-halimene-13,18-dioic acid; ent-form C17H26O4 294.183109 NA MeJP NA NA +MJ025469 14,15,16-Trinor-3-clerodene-13,18-dioic acid; ent-form C17H26O4 294.183109 NA MeJP NA NA +MJ025470 14,15,16-Trinor-8(17)-labdene-13,19-dioic acid C17H26O4 294.183109 NA MeJP NA NA +MJ025471 14,15,17-Trinor-8,13-dioxo-19-labdanoic acid C17H26O4 294.183109 NA MeJP NA NA +MJ025472 2,3-Dihydroxy-5-undecyl-1,4-benzoquinone C17H26O4 294.183109 NA MeJP NA NA +MJ025473 2,5-Dihydroxy-3-undecyl-1,4-benzoquinone C17H26O4 294.183109 NA MeJP NA NA +MJ025474 2,8-Neolemnadiene-4,5,10-triol, 4-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025475 3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025476 3,5-Dihydroxy-1,6,10-farnesatrien-9-one, 5-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025477 4(15),10(14),11-Germacratriene-1,5,9-triol, 1-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025478 4(15),10(14),11-Germacratriene-1,5,9-triol, 9-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025479 4,10(14)-Oplopadiene-3,8,9-triol, 3-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025480 5(14),10-Cyclofarnesadiene-2,4,9-triol; 4-Ketone, 2-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025481 5,10-Dihydroxy-8-daucen-2-one, 10-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025482 5-Hydroxymethyl-2,4,6-tetradecatrienoic acid, Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025483 6,11-Dihydroxy-3-eudesmen-2-one; 6?-form, 6-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025484 6-Protoilludene-4,8,14-triol, 14-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025485 8,11-Dihydroxy-3-eudesmen-2-one, 8-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025486 9(12)-Capnellene-2,8,10-triol, 2-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025487 9(12)-Capnellene-3,8,10-triol, 3-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025488 9(12)-Capnellene-5,8,10-triol, 5-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025489 9(12)-Capnellene-5,8,10-triol, 8-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025490 9,11-Guaiadiene-3,4-diol, 8?-Acetoxy C17H26O4 294.183109 NA MeJP NA NA +MJ025491 Albocycline; O-De-Me C17H26O4 294.183109 NA MeJP NA NA +MJ025492 Botryenalol C17H26O4 294.183109 NA MeJP NA NA +MJ025493 Discosiolide C17H26O4 294.183109 NA MeJP NA NA +MJ025494 Lemnacarnol; 2-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025495 Octahydro-7a-methyl-1-(1-methyl-2-oxopropyl)-5-oxo-1H-indene-4-propanoic acid C17H26O4 294.183109 NA MeJP NA NA +MJ025496 Phomalactone; 2-Methyloctanoyl C17H26O4 294.183109 NA MeJP NA NA +MJ025497 Phytuberol; Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025498 Sambucoin; 2-Deoxy, 11-epimer, 3?-hydroxy, 12-Ac C17H26O4 294.183109 NA MeJP NA NA +MJ025499 Zafronic acid; O10-Et C17H26O4 294.183109 NA MeJP NA NA +MJ025500 [6]-Gingerol C17H26O4 294.183109 NA MeJP NA NA +HMDB05783 Gingerol C17H26O4 294.18311 http://www.hmdb.ca/metabolites/HMDB05783 HMDB NA NA +HMDB05783 Gingerol C17H26O4 294.18311 HMDB05783 PFEM_hmdb_metabocards_official NA NA +C07383 Proparacaine C16H26N2O3 294.1943 NA KEGG NA NA +C07895 Propoxycaine C16H26N2O3 294.1943 NA KEGG NA NA +C07896 Transferred to D00741 C16H26N2O3 294.1943 NA KEGG NA NA +C07897 Etanercept C16H26N2O3 294.1943 NA KEGG NA NA +MJ025501 4,13-Dihydroxylupanine, O13-Me C16H26N2O3 294.194342 NA MeJP NA NA +MJ025502 Propoxycaine C16H26N2O3 294.194342 NA MeJP NA NA +MJ025503 Proxymetacaine C16H26N2O3 294.194342 NA MeJP NA NA +MJ025504 Aristolasicone; Deoxo C20H26N2 294.209598 NA MeJP NA NA +MJ025505 Aristomakine C20H26N2 294.209598 NA MeJP NA NA +MJ025506 Aristoserratenine C20H26N2 294.209598 NA MeJP NA NA +MJ025507 Aristoteline C20H26N2 294.209598 NA MeJP NA NA +MJ025508 Aspidofractinine, N1-Me C20H26N2 294.209598 NA MeJP NA NA +MJ025509 Aspidospermidine, 14,15-Didehydro, N1-Me C20H26N2 294.209598 NA MeJP NA NA +MJ025510 Dimetacrine C20H26N2 294.209598 NA MeJP NA NA +MJ025511 Hobartine C20H26N2 294.209598 NA MeJP NA NA +MJ025512 Mimbane C20H26N2 294.209598 NA MeJP NA NA +MJ025513 Trimipramine C20H26N2 294.209598 NA MeJP NA NA +MJ025514 Yohambinine C20H26N2 294.209598 NA MeJP NA NA +HMDB04668 13-OxoODE C18H30O3 294.21948 http://www.hmdb.ca/metabolites/HMDB04668 HMDB NA NA +HMDB04669 9-OxoODE C18H30O3 294.21948 http://www.hmdb.ca/metabolites/HMDB04669 HMDB NA NA +HMDB04668 13-OxoODE C18H30O3 294.21948 HMDB04668 PFEM_hmdb_metabocards_official NA NA +HMDB04669 9-OxoODE C18H30O3 294.21948 HMDB04669 PFEM_hmdb_metabocards_official NA NA +HMDB04668 13-OxoODE C18H30O3 294.219482 NA HMDB2010 NA NA +HMDB04669 9-OxoODE C18H30O3 294.219482 NA HMDB2010 NA NA +HMDB10200 A-12(13)-EpODE C18H30O3 294.219482 NA HMDB2010 NA NA +HMDB10203 13-HOTE C18H30O3 294.219482 NA HMDB2010 NA NA +HMDB10206 15(16)-EpODE C18H30O3 294.219482 NA HMDB2010 NA NA +HMDB10220 9(10)-EpODE C18H30O3 294.219482 NA HMDB2010 NA NA +HMDB10224 9-HOTE C18H30O3 294.219482 NA HMDB2010 NA NA +HMDB11108 17-Hydroxylinolenic acid C18H30O3 294.219482 NA HMDB2010 NA NA +MJ025515 1,6,10-Farnesatriene-3,9-diol; 9-Propanoyl C18H30O3 294.219494 NA MeJP NA NA +MJ025516 10-Hydroxy-8-octadecen-6-ynoic acid C18H30O3 294.219494 NA MeJP NA NA +MJ025517 11,12-Epoxy-8-hydroxy-14,15-dinor-13-labdanone C18H30O3 294.219494 NA MeJP NA NA +MJ025518 11-Oxo-9,12-octadecadienoic acid C18H30O3 294.219494 NA MeJP NA NA +MJ025519 12-Hydroxy-9,13,15-octadecatrienoic acid C18H30O3 294.219494 NA MeJP NA NA +MJ025520 13-(2-Cyclopentenyl)tridecanoic acid, ?1-Isomer, 3-oxo C18H30O3 294.219494 NA MeJP NA NA +MJ025521 13-Hydroxy-10-oxo-11-octadecenoic acid, Lactone C18H30O3 294.219494 NA MeJP NA NA +MJ025522 13-Oxo-9,11-octadecadienoic acid C18H30O3 294.219494 NA MeJP NA NA +MJ025523 15-Hydroxy-6,9,12-octadecatrien-16-olide; 6,7-Dihydro C18H30O3 294.219494 NA MeJP NA NA +MJ025524 16-Hydroxy-6,9,12-octadecatrien-15-olide; 6,7-Dihydro C18H30O3 294.219494 NA MeJP NA NA +MJ025525 16-Hydroxy-9,12,14-octadecatrienoic acid C18H30O3 294.219494 NA MeJP NA NA +MJ025526 18-Hydroxy-9,11,13-octadecatrienoic acid C18H30O3 294.219494 NA MeJP NA NA +MJ025527 2,5-Dihydro-5-methyl-2-oxo-3-furantridecanal C18H30O3 294.219494 NA MeJP NA NA +MJ025528 2-Decyl-6-methoxy-3,5-dimethyl-4H-pyran-4-one C18H30O3 294.219494 NA MeJP NA NA +MJ025529 2-Hydroxy-9,12,15-octadecatrienoic acid C18H30O3 294.219494 NA MeJP NA NA +MJ025530 3,4-Dimethyl-5-pentyl-2-furanheptanoic acid C18H30O3 294.219494 NA MeJP NA NA +MJ025531 3,4-Dimethyl-5-propyl-2-furannonanoic acid C18H30O3 294.219494 NA MeJP NA NA +MJ025532 3,9,12-Octadecatrienoic acid, (9R*,10S*)-Epoxide C18H30O3 294.219494 NA MeJP NA NA +MJ025533 5-Hexyl-2-furanoctanoic acid C18H30O3 294.219494 NA MeJP NA NA +MJ025534 6,9,12-Octadecatrienoic acid, 12R*,13S*-Epoxide C18H30O3 294.219494 NA MeJP NA NA +MJ025535 7,8-Dihydroxy-14,15-dinor-11-labden-13-one C18H30O3 294.219494 NA MeJP NA NA +MJ025536 8-Hydroxy-11-octadecen-9-ynoic acid C18H30O3 294.219494 NA MeJP NA NA +MJ025537 9,10-Epoxy-12-octadecynoic acid C18H30O3 294.219494 NA MeJP NA NA +MJ025538 9,12,15-Octadecatrienoic acid, 12?,13?-Epoxide C18H30O3 294.219494 NA MeJP NA NA +MJ025539 9,12,15-Octadecatrienoic acid, 15?,16?-Epoxide C18H30O3 294.219494 NA MeJP NA NA +MJ025540 9,12,15-Octadecatrienoic acid, 9R*,10S*-Epoxide C18H30O3 294.219494 NA MeJP NA NA +MJ025541 9-Hydroxy-10,12,15-octadecatrienoic acid C18H30O3 294.219494 NA MeJP NA NA +MJ025542 9-Hydroxy-10-octadecen-12-ynoic acid C18H30O3 294.219494 NA MeJP NA NA +MJ025543 9-Oxo-10,12-octadecadienoic acid C18H30O3 294.219494 NA MeJP NA NA +MJ025544 Colneleic acid C18H30O3 294.219494 NA MeJP NA NA +MJ025545 Conocandin C18H30O3 294.219494 NA MeJP NA NA +MJ025546 Glanvillic acid B C18H30O3 294.219494 NA MeJP NA NA +MJ025547 Juvenile hormone I C18H30O3 294.219494 NA MeJP NA NA +MJ025548 Plakortone E C18H30O3 294.219494 NA MeJP NA NA +MJ025549 Raspailynes; Isoraspailyne B C18H30O3 294.219494 NA MeJP NA NA +MJ025550 Raspailynes; Raspailyne B C18H30O3 294.219494 NA MeJP NA NA +MJ025551 Tetrahydro-6-(3-hydroxy-4,7-tridecadienyl)-2H-pyran-2-one C18H30O3 294.219494 NA MeJP NA NA +MJ025552 [3,5-Diethyl-5-(2-methylhexyl)-2(5H)-furanylidene]acetic acid, Me ester C18H30O3 294.219494 NA MeJP NA NA +MJ025553 [3-Ethyl-5-(2-ethyl-3-hexenyl)tetrahydro-5-methyl-2-furanylidene]acetic acid; Me ester C18H30O3 294.219494 NA MeJP NA NA +EUR121 13-oxo-ODE C18H30O3 294.219495 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR122 9-oxo-ODE C18H30O3 294.219495 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR121 13-oxo-ODE C18H30O3 294.219495 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR122 9-oxo-ODE C18H30O3 294.219495 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR121 13-oxo-ODE C18H30O3 294.219495 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR122 9-oxo-ODE C18H30O3 294.219495 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR121 13-oxo-ODE C18H30O3 294.219495 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR122 9-oxo-ODE C18H30O3 294.219495 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR121 13-oxo-ODE C18H30O3 294.219495 Wishlist HMDB NA NA +EUR122 9-oxo-ODE C18H30O3 294.219495 Wishlist HMDB NA NA +EUR121 13-oxo-ODE C18H30O3 294.219495 Wishlist Inhouse_PFEM NA NA +EUR122 9-oxo-ODE C18H30O3 294.219495 Wishlist Inhouse_PFEM NA NA +MetaCyc02629 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoate [3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoic acid;oxopentenyl-cyclopentane-octanoic acid;8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate;] C18H30O3 294.219495 NA metacyc NA NA +EUR121 13-oxo-ODE C18H30O3 294.219495 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR122 9-oxo-ODE C18H30O3 294.219495 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR121 13-oxo-ODE C18H30O3 294.219495 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR122 9-oxo-ODE C18H30O3 294.219495 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR121 13-oxo-ODE C18H30O3 294.2195 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR122 9-oxo-ODE C18H30O3 294.2195 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR121 13-oxo-ODE C18H30O3 294.2195 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR122 9-oxo-ODE C18H30O3 294.2195 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR121 13-oxo-ODE C18H30O3 294.2195 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR122 9-oxo-ODE C18H30O3 294.2195 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR121 13-oxo-ODE C18H30O3 294.2195 Wishlist Inhousejuil11 NA NA +EUR122 9-oxo-ODE C18H30O3 294.2195 Wishlist Inhousejuil11 NA NA +C04594 (9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid C18H30O3 294.2195 NA KEGG NA NA +C04780 8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate C18H30O3 294.2195 NA KEGG NA NA +C04781 Glycoprotein(non-reducing N- or O-acylneuraminyl residue) C18H30O3 294.2195 NA KEGG NA NA +C13798 8-(5-Hexyl-furan-2-yl)-octanoic acid C18H30O3 294.2195 NA KEGG NA NA +C14765 13-OxoODE C18H30O3 294.2195 NA KEGG NA NA +C14766 9-OxoODE C18H30O3 294.2195 NA KEGG NA NA +C16316 13(S)-HOT C18H30O3 294.2195 NA KEGG NA NA +C16326 9(S)-HOT C18H30O3 294.2195 NA KEGG NA NA +C16342 2(R)-HOT C18H30O3 294.2195 NA KEGG NA NA +C16346 17-Hydroxylinolenic acid C18H30O3 294.2195 NA KEGG NA NA +EUR493 13-Oxo-ODE F1 NA 294.221225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR493 13-Oxo-ODE F1 NA 294.221225 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR493 13-Oxo-ODE F1 NA 294.221225 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR493 13-Oxo-ODE F1 NA 294.221225 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR493 13-Oxo-ODE F1 NA 294.221225 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR493 13-Oxo-ODE F1 NA 294.221225 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR493 13-Oxo-ODE F1 NA 294.221225 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR493 13-Oxo-ODE F1 NA 294.221225 standards wishlist analysés sur QTOF HMDB NA NA +EUR493 13-Oxo-ODE F1 NA 294.221225 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR493 13-Oxo-ODE F1 NA 294.221225 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR493 13-Oxo-ODE F1 NA 294.221225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR493 13-Oxo-ODE F1 NA 294.221225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ025554 Huperzine J; Nb-Oxide C17H30N2O2 294.230728 NA MeJP NA NA +C15330 3beta-Fluoro-5alpha-androstan-17beta-ol C19H31FO 294.2359 NA KEGG NA NA +MJ025555 1,10,13,16-Nonadecatetraene, 16,17-Dihydro,10S,11R:13S,14R-diepoxide C19H34O2 294.25588 NA MeJP NA NA +MJ025556 10,15-Cyclo-1,2,20-trisnor-6,10-phytadien-3-al; Di-Me acetal C19H34O2 294.25588 NA MeJP NA NA +MJ025557 16-Methyl-5,9-octadecadienoic acid C19H34O2 294.25588 NA MeJP NA NA +MJ025558 16-Methyl-9,12-octadecadienoic acid C19H34O2 294.25588 NA MeJP NA NA +MJ025559 17-Methyl-5,9-octadecadienoic acid C19H34O2 294.25588 NA MeJP NA NA +MJ025560 5,9-Nonadecadienoic acid C19H34O2 294.25588 NA MeJP NA NA +MJ025561 8,13-Epoxy-15-nor-14-labdanol C19H34O2 294.25588 NA MeJP NA NA +MJ025562 Capensinone C19H34O2 294.25588 NA MeJP NA NA +MetaCyc02630 sterculate [sterculic acid;] C19H34O2 294.25588 NA metacyc NA NA +C08366 Sterculic acid C19H34O2 294.2559 NA KEGG NA NA +MJ025563 Pseudodistomin B C18H34N2O 294.267113 NA MeJP NA NA +MJ025564 13-Eicosen-10-one C20H38O 294.292265 NA MeJP NA NA +MJ025565 2-Phyten-1-ol, 1-Aldehyde C20H38O 294.292265 NA MeJP NA NA +MJ025566 Callyspinol C20H38O 294.292265 NA MeJP NA NA +EUR500 13-HPODE F2 F2 294.320925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR500 13-HPODE F2 NA 294.320925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR500 13-HPODE F2 F2 294.320925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR500 13-HPODE F2 NA 294.320925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR500 13-HPODE F2 F2 294.320925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR500 13-HPODE F2 NA 294.320925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR500 13-HPODE F2 F2 294.320925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR500 13-HPODE F2 F2 294.320925 standards wishlist analysés sur QTOF HMDB NA NA +EUR500 13-HPODE F2 F2 294.320925 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR500 13-HPODE F2 NA 294.320925 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR500 13-HPODE F2 F2 294.320925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR500 13-HPODE F2 F2 294.320925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +2720 erythromycin inhibitor MIITI 294.6697 MH2+ Inhouse_peptide NA peptide +MJ025567 4,5-Dibromo-1H-pyrrole-2-carboxylic acid; N-Et C7H7Br2NO2 294.884353 NA MeJP NA NA +MJ025568 4,5-Dibromo-1H-pyrrole-2-carboxylic acid; N-Me, Me ester C7H7Br2NO2 294.884353 NA MeJP NA NA +C07461 Chlorothiazide C7H6ClN3O4S2 294.9488 NA KEGG NA NA +C07462 Transferred to D00520 C7H6ClN3O4S2 294.9488 NA KEGG NA NA +MJ025569 Chlorothiazide C7H6ClN3O4S2 294.948824 NA MeJP NA NA +MJ025570 Diclofenac C14H11Cl2NO2 295.016684 NA MeJP NA NA +MJ025571 Meclofenamic acid C14H11Cl2NO2 295.016684 NA MeJP NA NA +C01690 Diclofenac C14H11Cl2NO2 295.0167 NA KEGG NA NA +C07117 Meclofenamate C14H11Cl2NO2 295.0167 NA KEGG NA NA +MJ025572 Tambjamine A; 5'-Bromo, 1''-N-Et C12H14BrN3O 295.032024 NA MeJP NA NA +MJ025573 Isoschumanniophytine C16H9NO5 295.048072 NA MeJP NA NA +MJ025574 Schumanniophytine C16H9NO5 295.048072 NA MeJP NA NA +C03373 Aminoimidazole ribotide C8H14N3O7P 295.0569 NA KEGG NA NA +MJ025575 Aminoimidazole ribotide C8H14N3O7P 295.056936 NA MeJP NA NA +MetaCyc02631 5-aminoimidazole ribonucleotide [5-amino-1-(5-phospho-D-ribosyl)imidazole;5-aminoimidazole ribotide;AIR;1-(5'-phosphoribosyl)-5-aminoimidazole;5'-phosphoribosyl-5-aminoimidazole;phosphoribosylaminoimidazole;] C8H14N3O7P1 295.056936 25635-88-5 metacyc NA NA +HMDB01235 5-Aminoimidazole ribonucleotide C8H14N3O7P 295.056946 NA HMDB2010 NA NA +HMDB01235 5-Aminoimidazole ribonucleotide C8H14N3O7P 295.05695 http://www.hmdb.ca/metabolites/HMDB01235 HMDB NA NA +HMDB01235 5-Aminoimidazole ribonucleotide C8H14N3O7P 295.05695 HMDB01235 PFEM_hmdb_metabocards_official NA NA +MJ025576 1-Methyl-3-oxo-4-phenyl-1-azoniabicyclo[2.2.2]octane; Bromide C14H18BrNO 295.057176 NA MeJP NA NA +MJ025577 Sulfamethoxazole; N'-Ac C12H13N3O4S 295.062676 NA MeJP NA NA +C13061 Acetylsulfamethoxazole C12H13N3O4S 295.0627 NA KEGG NA NA +C13062 Transferred to D01602 C12H13N3O4S 295.0627 NA KEGG NA NA +C13063 Transferred to D01603 C12H13N3O4S 295.0627 NA KEGG NA NA +C13064 Transferred to D01604 C12H13N3O4S 295.0627 NA KEGG NA NA +C13065 Transferred to D01605 C12H13N3O4S 295.0627 NA KEGG NA NA +C13066 Transferred to D01606 C12H13N3O4S 295.0627 NA KEGG NA NA +C13067 Transferred to D01607 C12H13N3O4S 295.0627 NA KEGG NA NA +C13068 Transferred to D01608 C12H13N3O4S 295.0627 NA KEGG NA NA +C13069 Transferred to D01609 C12H13N3O4S 295.0627 NA KEGG NA NA +C13070 Transferred to D01610 C12H13N3O4S 295.0627 NA KEGG NA NA +C13071 Transferred to D01611 C12H13N3O4S 295.0627 NA KEGG NA NA +PJ000200 ACC C9H17N3O4S2 295.0661 NA PeJP NA NA +MJ025578 Mycosporin-Gly, N-De(carboxymethyl), N-(2-sulfoethyl) C10H17NO7S 295.072572 NA MeJP NA NA +MJ025579 2,2,6,6-Tetramethyl-1-azabicyclo[2.2.2]octane; Hydroiodide C11H22IN 295.079693 NA MeJP NA NA +MJ025580 Glyconiazide C12H13N3O6 295.080435 NA MeJP NA NA +PJ000201 SSC C9H17N3O6S 295.0838 NA PeJP NA NA +MJ025581 Pantocin B C9H17N3O6S 295.083805 NA MeJP NA NA +MJ025582 1,2,3-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Di-Me ether C17H13NO4 295.084457 NA MeJP NA NA +MJ025583 1,2,3-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1,3-Di-Me ether C17H13NO4 295.084457 NA MeJP NA NA +MJ025584 1,2,3-Trihydroxydibenz[cd,f]indol-4(5H)-one; 2,3-Di-Me ether C17H13NO4 295.084457 NA MeJP NA NA +MJ025585 1,2,7-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1,7-Di-Me ether C17H13NO4 295.084457 NA MeJP NA NA +MJ025586 1,2,7-Trihydroxydibenz[cd,f]indol-4(5H)-one; 2,7-Di-Me ether C17H13NO4 295.084457 NA MeJP NA NA +MJ025587 1,2,9-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Di-Me ether C17H13NO4 295.084457 NA MeJP NA NA +MJ025588 1,2,9-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1,9-Di-Me ether C17H13NO4 295.084457 NA MeJP NA NA +MJ025589 1,2-Dihydroxydibenz[cd,f]indol-4(5H)-one; 1-Me ether, N-methoxy C17H13NO4 295.084457 NA MeJP NA NA +MJ025590 8-Methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid; Amide C17H13NO4 295.084457 NA MeJP NA NA +MJ025591 Graveoline; 5'-Hydroxy C17H13NO4 295.084457 NA MeJP NA NA +MJ025592 Ungeremine; 8-Methoxy C17H13NO4 295.084457 NA MeJP NA NA +MJ025593 Chloropyrilene C14H18ClN3S 295.090995 NA MeJP NA NA +MJ025594 Azidamfenicol C11H13N5O5 295.091668 NA MeJP NA NA +MJ025595 Nepicastat C14H15F2N3S 295.095474 NA MeJP NA NA +MJ025596 Mebendazole C16H13N3O3 295.095691 NA MeJP NA NA +MJ025597 Nimetazepam C16H13N3O3 295.095691 NA MeJP NA NA +MJ025598 Enilosperone C15H18ClNO3 295.097521 NA MeJP NA NA +C16612 Citalopram aldehyde C18H14FNO2 295.1009 NA KEGG NA NA +3515 ACE inhibitor GGY 295.105 ACE inhibitor Inhouse_peptide NA peptide +3741 Immunomodulating peptide YGG 295.105 ACE inhibitor Inhouse_peptide NA peptide +7647 ACE inhibitor YGG 295.105 antioxidative Inhouse_peptide NA peptide +MJ025599 1H-Indol-3-ol; OH-form, O-?-D-Glucopyranoside C14H17NO6 295.105587 NA MeJP NA NA +MJ025600 2-Hydroxy-2-phenylacetonitrile, O-?-D-Glucopyranoside C14H17NO6 295.105587 NA MeJP NA NA +MetaCyc02632 indican [2-(hydroxymethyl)-6-(1H-indol-3-yloxy)tetrahydropyran-3,4,5- triol;] C14H17N1O6 295.105587 NA metacyc NA NA +MetaCyc02633 (R)-Prunasin [] C14H17N1O6 295.105587 NA metacyc NA NA +C00844 (R)-Prunasin C14H17NO6 295.1056 NA KEGG NA NA +C04273 (S)-Mandelonitrile beta-D-glucoside C14H17NO6 295.1056 NA KEGG NA NA +C08481 Indican C14H17NO6 295.1056 NA KEGG NA NA +7682 ACE inhibitor from garlic NY 295.1059 antioxidative Inhouse_peptide NA peptide +C11127 Triadimenol C14H18ClN3O2 295.1088 NA KEGG NA NA +MJ025601 1-(2-Quinolinyl)-?-carboline C20H13N3 295.110947 NA MeJP NA NA +MJ025602 1-(5-Quinolinyl)-?-carboline C20H13N3 295.110947 NA MeJP NA NA +MJ025603 1-(6-Quinolinyl)-?-carboline C20H13N3 295.110947 NA MeJP NA NA +MJ025604 1-(8-Quinolinyl)-?-carboline C20H13N3 295.110947 NA MeJP NA NA +PJ000202 NY C13H17N3O5 295.1168 NA PeJP NA NA +MJ025605 Seproxetine C16H16F3NO 295.118398 NA MeJP NA NA +C09588 Mecambrine C18H17NO3 295.1208 NA KEGG NA NA +C09589 (+)-Mecambroline C18H17NO3 295.1208 NA KEGG NA NA +C09613 Pukateine C18H17NO3 295.1208 NA KEGG NA NA +C09670 Xylopine C18H17NO3 295.1208 NA KEGG NA NA +C10699 Japonine C18H17NO3 295.1208 NA KEGG NA NA +MJ025606 3,4-Methylenedioxycinnamic acid 2-phenylethylamide C18H17NO3 295.120843 NA MeJP NA NA +MJ025607 3,6-Dimethoxy-1-methyl-2-phenyl-4(1H)-quinolinone C18H17NO3 295.120843 NA MeJP NA NA +MJ025608 3-Acetyl-5-hydroxy-1-(4-methoxyphenyl)-2-methyl-1H-indole C18H17NO3 295.120843 NA MeJP NA NA +MJ025609 5-Hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylic acid; Et ester C18H17NO3 295.120843 NA MeJP NA NA +MJ025610 Anolobine, Me ether C18H17NO3 295.120843 NA MeJP NA NA +MJ025611 Anolobine, N-Me C18H17NO3 295.120843 NA MeJP NA NA +MJ025612 Crykonisine C18H17NO3 295.120843 NA MeJP NA NA +MJ025613 Heptaphylline; 7-Hydroxy C18H17NO3 295.120843 NA MeJP NA NA +MJ025614 Heptaphylline; 8-Hydroxy C18H17NO3 295.120843 NA MeJP NA NA +MJ025615 Heptaphylline; ?3'-Isomer, 2'?-hydroxy C18H17NO3 295.120843 NA MeJP NA NA +MJ025616 Heptazolicine C18H17NO3 295.120843 NA MeJP NA NA +MJ025617 Indobufen C18H17NO3 295.120843 NA MeJP NA NA +MJ025618 Laureline, N-De-Me C18H17NO3 295.120843 NA MeJP NA NA +MJ025619 Mecambrine C18H17NO3 295.120843 NA MeJP NA NA +MJ025620 Mecambroline C18H17NO3 295.120843 NA MeJP NA NA +MJ025621 Norushinsunine, N-Me C18H17NO3 295.120843 NA MeJP NA NA +MJ025622 Obovanine; Me ether C18H17NO3 295.120843 NA MeJP NA NA +MJ025623 Oliveroline C18H17NO3 295.120843 NA MeJP NA NA +MJ025624 Pachypodanthine C18H17NO3 295.120843 NA MeJP NA NA +MJ025625 Pentouregine C18H17NO3 295.120843 NA MeJP NA NA +MJ025626 Pukateine C18H17NO3 295.120843 NA MeJP NA NA +MJ025627 Roemerine, N-Oxide C18H17NO3 295.120843 NA MeJP NA NA +MJ025628 Stephalagine; N-De-Me C18H17NO3 295.120843 NA MeJP NA NA +MJ025629 Steporphine C18H17NO3 295.120843 NA MeJP NA NA +MJ025630 Zanthomamide; N-De-Me C18H17NO3 295.120843 NA MeJP NA NA +MJ025631 Vasconine; 2-Methoxy C18H18NO3(+) 295.120843 NA MeJP NA NA +MJ025632 Meburamide C15H21NO3S 295.124214 NA MeJP NA NA +MJ025633 3,4-Dihydroxy-2-(hydroxymethyl)pyrrolidine, 4-O-?-D-Glucopyranoside C11H21NO8 295.126716 NA MeJP NA NA +3328 NA DTEAR 295.12695 MH2+ Inhouse_peptide NA peptide +MJ025634 N,N-Dimethyladenosine C12H17N5O4 295.128054 NA MeJP NA NA +MJ025635 Nifurpipone C12H17N5O4 295.128054 NA MeJP NA NA +C03416 N6,N6-Dimethyladenosine C12H17N5O4 295.1281 NA KEGG NA NA +MJ025636 Divaplon C17H17N3O2 295.132076 NA MeJP NA NA +MJ025637 Isonaamine A C17H17N3O2 295.132076 NA MeJP NA NA +C15094 GYKI 52895 C17H17N3O2 295.1321 NA KEGG NA NA +C07319 Sumatriptan C14H21N3O2S 295.1354 NA KEGG NA NA +HMDB05037 Sumatriptan C14H21N3O2S 295.135437 NA HMDB2010 NA NA +HMDB05037 Sumatriptan C14H21N3O2S 295.13544 http://www.hmdb.ca/metabolites/HMDB05037 HMDB NA NA +HMDB05037 Sumatriptan C14H21N3O2S 295.13544 HMDB05037 PFEM_hmdb_metabocards_official NA NA +MJ025638 Sumatriptan C14H21N3O2S 295.135447 NA MeJP NA NA +MJ025639 1,2,3,5,6,10b-Hexahydro-6-[4-(methylthio)phenyl]pyrrolo[2,1-a]isoquinoline C19H21NS 295.13947 NA MeJP NA NA +MJ025640 Dosulepin C19H21NS 295.13947 NA MeJP NA NA +MJ025641 Pizotifen C19H21NS 295.13947 NA MeJP NA NA +MJ025642 Coronafacic acid, L-Serine amide C15H21NO5 295.141972 NA MeJP NA NA +MJ025643 Crobarbatine C15H21NO5 295.141972 NA MeJP NA NA +MJ025644 Loroquine; O-(2,3-Dihydroxy-2-isopropylbutanoyl) C15H21NO5 295.141972 NA MeJP NA NA +MJ025645 Norsenecicaudatin 9-O-senecioate C15H21NO5 295.141972 NA MeJP NA NA +MJ025646 Carvotroline C18H18FN3 295.148475 NA MeJP NA NA +2713 erythromycin inhibitor MIIQS 295.1492 MH2+ Inhouse_peptide NA peptide +MJ025647 3,4-Dihydro-2-[[[2-(4-hydroxyphenyl)ethyl]amino]methyl]-1(2H)-naphthalenone C19H21NO2 295.157228 NA MeJP NA NA +MJ025648 Apomorphine, N-De-Me, N-propyl C19H21NO2 295.157228 NA MeJP NA NA +MJ025649 Argentinine C19H21NO2 295.157228 NA MeJP NA NA +MJ025650 Atherosperminine; N-De-Me C19H21NO2 295.157228 NA MeJP NA NA +MJ025651 Beloxepin C19H21NO2 295.157228 NA MeJP NA NA +MJ025652 Carbazoquinocin; Antibiotic WS 63967C C19H21NO2 295.157228 NA MeJP NA NA +MJ025653 Carbazoquinocin; Carbazoquinocin A C19H21NO2 295.157228 NA MeJP NA NA +MJ025654 Dimeprozan C19H21NO2 295.157228 NA MeJP NA NA +MJ025655 Estrone; O-Cyano C19H21NO2 295.157228 NA MeJP NA NA +MJ025656 Galipinine C19H21NO2 295.157228 NA MeJP NA NA +MJ025657 Herclavine C19H21NO2 295.157228 NA MeJP NA NA +MJ025658 Isomurrayafoline B C19H21NO2 295.157228 NA MeJP NA NA +MJ025659 Murrayafoline B C19H21NO2 295.157228 NA MeJP NA NA +MJ025660 Nuciferine C19H21NO2 295.157228 NA MeJP NA NA +MJ025661 Oxitriptyline C19H21NO2 295.157228 NA MeJP NA NA +8265 f(141-146) of bovine kappa casein STVATL 295.1575 MH2+ Inhouse_peptide NA peptide +MJ025662 Tertatolol C16H25NO2S 295.160599 NA MeJP NA NA +MJ025663 8-[3-(Dimethylamino)propoxy]-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione C13H21N5O3 295.164439 NA MeJP NA NA +MJ025664 Decahydro-6-[(1H-tetrazol-5-ylmethoxy)methyl]-3-isoquinolinecarboxylic acid C13H21N5O3 295.164439 NA MeJP NA NA +MJ025665 Dibenzepin C18H21N3O 295.168462 NA MeJP NA NA +MJ025666 Etofuradine C18H21N3O 295.168462 NA MeJP NA NA +MJ025667 Oxadimedine C18H21N3O 295.168462 NA MeJP NA NA +MJ025668 Silaprodipine C19H25NSi 295.175626 NA MeJP NA NA +MJ025669 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Tigloyl, 6-O-propanoyl C16H25NO4 295.178358 NA MeJP NA NA +MJ025670 Dioxadilol C16H25NO4 295.178358 NA MeJP NA NA +MJ025671 Esmolol C16H25NO4 295.178358 NA MeJP NA NA +MJ025672 Floredil C16H25NO4 295.178358 NA MeJP NA NA +MJ025673 Serratine; 8?-Hydroxy C16H25NO4 295.178358 NA MeJP NA NA +MJ025674 Serratinine, N-Oxide C16H25NO4 295.178358 NA MeJP NA NA +C06980 Esmolol C16H25NO4 295.1784 NA KEGG NA NA +C06981 Transferred to D00311 C16H25NO4 295.1784 NA KEGG NA NA +C06982 Transferred to D00312 C16H25NO4 295.1784 NA KEGG NA NA +C06983 Transferred to D00313 C16H25NO4 295.1784 NA KEGG NA NA +C09899 Serratanidine C16H25NO4 295.1784 NA KEGG NA NA +MJ025675 ?-(2-Hydroxy-4-oxodecanoyl)histidine C15H25N3O3 295.189591 NA MeJP NA NA +MJ025676 1,1-Diphenyl-3-(1-piperidinyl)-1-propanol C20H25NO 295.193614 NA MeJP NA NA +MJ025677 1-Heptyl-3-hydroxy-2-methyl-9H-carbazole C20H25NO 295.193614 NA MeJP NA NA +MJ025678 19,23-Dinorcona-1,3,5(10),14-tetraenin-3-ol C20H25NO 295.193614 NA MeJP NA NA +MJ025679 2,6,8,12-Hexadecatetraen-10-ynoic acid, 2,3-Didehydropyrrolidide C20H25NO 295.193614 NA MeJP NA NA +MJ025680 2,6,8-Hexadecatrien-10-ynoic acid, Pyrrolide C20H25NO 295.193614 NA MeJP NA NA +MJ025681 2-(3,7-Dimethyl-2,6-octadienyl)-3-methyl-4(1H)-quinolinone C20H25NO 295.193614 NA MeJP NA NA +MJ025682 2-(3,7-Dimethyl-2,6-octadienyl)-4(1H)-quinolinone, N-Me C20H25NO 295.193614 NA MeJP NA NA +MJ025683 6-Dimethylamino-4,4-diphenyl-3-hexanone C20H25NO 295.193614 NA MeJP NA NA +MJ025684 Difemetorex C20H25NO 295.193614 NA MeJP NA NA +MJ025685 Glemanserin C20H25NO 295.193614 NA MeJP NA NA +MJ025686 Perastine C20H25NO 295.193614 NA MeJP NA NA +MJ025687 Spirasine XI; 13-Deoxy, 11-oxo C20H25NO 295.193614 NA MeJP NA NA +MJ025688 Spirasine XI; 13-Ketone C20H25NO 295.193614 NA MeJP NA NA +MJ025689 Talopram C20H25NO 295.193614 NA MeJP NA NA +MJ025690 Zafuleptine C17H26FNO2 295.194757 NA MeJP NA NA +MJ025691 8-(Dipropylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole-1-carbonitrile C19H25N3 295.204847 NA MeJP NA NA +MJ025692 8-(Dipropylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole-2-carbonitrile C19H25N3 295.204847 NA MeJP NA NA +MJ025693 Picoperine C19H25N3 295.204847 NA MeJP NA NA +MJ025694 1-Amino-4,12-tridecadien-2-ol, N,O-Di-Ac C17H29NO3 295.214743 NA MeJP NA NA +MJ025695 Mubironine C C17H29NO3 295.214743 NA MeJP NA NA +MJ025696 Diisopromine C21H29N 295.229999 NA MeJP NA NA +MJ025697 2,4-Tetradecadienoic acid, 2-Hydroxy-2-methylpropylamide C18H33NO2 295.251129 NA MeJP NA NA +MJ025698 Loesenerine; N-De-Ac C17H33N3O 295.262362 NA MeJP NA NA +2939 myelopeptide VVYPD 295.63895 MH2+ Inhouse_peptide NA peptide +3087 gluten C exorphin YPISL 295.6575 MH2+ Inhouse_peptide NA peptide +3788 NA YPLSL 295.6575 MH2+ Inhouse_peptide NA peptide +MetaCyc02634 Fe3S4 iron-sulfur cluster [Fe3S4 iron-sulfur cluster;Fe3S4 cluster;Fe3S4 center;Fe3S4;Fe3S4 iron-sulfur center;3Fe-4S;] S4FE3 295.693109 NA metacyc NA NA +MJ025699 3,4-Dibromo-5-hydroxymethyl-1,2-benzenediol C7H6Br2O3 295.868369 NA MeJP NA NA +C17098 Lanosol C7H6Br2O3 295.8684 NA KEGG NA NA +MJ025700 [2-Amino-4-(aminosulfonyl)phenyl]arsonic acid C6H9AsN2O5S 295.944813 NA MeJP NA NA +MJ025701 2-(2,4-Dichlorophenoxy)benzeneacetic acid C14H10Cl2O3 296.000699 NA MeJP NA NA +MJ025702 Nitrodan C10H8N4O3S2 296.003781 NA MeJP NA NA +MJ025703 6-Sulfoaminopenicillanic acid C8H12N2O6S2 296.013677 NA MeJP NA NA +MJ025704 5,6-Dichloro-2-(chloromethylene)-6-methyl-3,7-octadien-1-ol, Ac C12H15Cl3O2 296.013762 NA MeJP NA NA +FLIE1CNS0001 Medicagol;3-Hydroxy-8,9-methylenedioxycoumestan;7-Hydroxy-11,12-methylenedioxycoumestan C16H8O6 296.03208 1983-72-8 knapsack NA NA +MJ025705 Medicagol C16H8O6 296.032087 NA MeJP NA NA +MJ025706 Ralitoline C13H13ClN2O2S 296.038626 NA MeJP NA NA +MJ025707 Enilconazole C14H14Cl2N2O 296.048318 NA MeJP NA NA +MJ025708 Djenkolic acid, N-Ac C9H16N2O5S2 296.050063 NA MeJP NA NA +C01692 Disulfiram C10H20N2S4 296.0509 NA KEGG NA NA +MJ025709 Disulfiram C10H20N2S4 296.050931 NA MeJP NA NA +MetaCyc02635 disulfiram [tetraethylthiuram disulfide;ethyldithiurame;teturam;dicupral;anticol;alcophobin;antabuse;bis-(diethylthiocarbamoyl)disulfide;esperal;disulfiram;] C10H20N2S4 296.050931 97-77-8 metacyc NA NA +C10483 Phaseolic acid C13H12O8 296.0532 NA KEGG NA NA +MJ025710 Hydroxypropanedioic acid; 2-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) C13H12O8 296.053217 NA MeJP NA NA +MJ025711 Malic acid, O-(3,4-Dihydroxycinnamoyl) C13H12O8 296.053217 NA MeJP NA NA +MJ025712 Tartaric acid, Mono(4-hydroxy-E-cinnamoyl) C13H12O8 296.053217 NA MeJP NA NA +MJ025713 2'-Deoxy-5-(trifluoromethyl)uridine C10H11F3N2O5 296.062006 NA MeJP NA NA +MJ025714 Ulbactin A C13H16N2O2S2 296.065319 NA MeJP NA NA +FL3F1CNS0005 7-Methoxy-3',4'-methylenedioxyflavone;Milleyanaflavone;2-(1,3-Benzodioxol-5-yl)-7-methoxy-4H-1-benzopyran-4-one C17H12O5 296.06847 58996-65-9 knapsack NA NA +FL3F98NS0013 2',5'-Dihydroxyflavone 5'-acetate C17H12O5 296.06847 115219-85-7 knapsack NA NA +FL3FA9NM0007 Unonal;5,7-Dihydroxy-8-methyl-4-oxo-2-phenyl-4H-1-benzopyran-6-carboxaldehyde C17H12O5 296.06847 59677-74-6 knapsack NA NA +FL3FA9NM0008 8-Formyl-5,7-dihydroxy-6-methylflavone;Isounonal;5,7-Dihydroxy-6-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxaldehyde C17H12O5 296.06847 55743-12-9 knapsack NA NA +FL3FE9NS0007 5-Methoxy-6,7-methylenedioxyflavone C17H12O5 296.06847 119120-32-0 knapsack NA NA +FL3FF9NS0006 5-Methoxy-7,8-methylenedioxyflavone C17H12O5 296.06847 70185-56-7 knapsack NA NA +FLIA1CNS0006 Pseudobaptigenin methyl ether;7-Methoxy-3',4'-methylenedioxyisoflavone C17H12O5 296.06847 07/04/4253 knapsack NA NA +FLIA3ANS0003 Maximaisoflavone H;4'-Methoxy-7,8-methylenedioxyisoflavone C17H12O5 296.06847 97165-42-9 knapsack NA NA +FLIDWXNS0003 Anhydropisatin;Flemichapparin B;6a,11a-Dehydropterocarpin C17H12O5 296.06847 3187-53-9 knapsack NA NA +FLIE1ANS0003 Coumestrol dimethyl ether;Di-O-methylcoumestrol;3,9-Dimethylcoumestan;3,9-Dimethoxy-6-oxopterocarpene C17H12O5 296.06847 3172-99-4 knapsack NA NA +MJ025715 1-Hydroxy-7-methylanthraquinone-2-carboxylic acid; Me ester C17H12O5 296.068473 NA MeJP NA NA +MJ025716 2',5'-Dihydroxyflavone; 5'-Ac C17H12O5 296.068473 NA MeJP NA NA +MJ025717 2,6,7-Trihydroxy-5H-phenanthro[4,5-bcd]pyran-5-one; 2,6-Di-Me ether C17H12O5 296.068473 NA MeJP NA NA +MJ025718 3',4',7-Trihydroxyflavone; 7-Me, 3',4'-methylene ether C17H12O5 296.068473 NA MeJP NA NA +MJ025719 3,8,9-Trihydroxypterocarpene; 3-Me, 8,9-methylene ether C17H12O5 296.068473 NA MeJP NA NA +MJ025720 3-Acetyl-1,8-dihydroxy-2-methylphenanthraquinone C17H12O5 296.068473 NA MeJP NA NA +MJ025721 4',7,8-Trihydroxyisoflavone; 7,8-Methylene , 4'-Me ether C17H12O5 296.068473 NA MeJP NA NA +MJ025722 5,6,7-Trihydroxyflavone; 6,7-Methylene, 5-Me ether C17H12O5 296.068473 NA MeJP NA NA +MJ025723 5,7,8-Trihydroxyflavone; 5-Me, 7,8-methylene ether C17H12O5 296.068473 NA MeJP NA NA +MJ025724 5-Hydroxy-3-methylanthraquinone-1-carboxylic acid; Me ester C17H12O5 296.068473 NA MeJP NA NA +MJ025725 7-Hydroxy-3',4'-methylenedioxyisoflavone; Me ether C17H12O5 296.068473 NA MeJP NA NA +MJ025726 8-Methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid C17H12O5 296.068473 NA MeJP NA NA +MJ025727 Aristololide; 9,10?-Dihydro C17H12O5 296.068473 NA MeJP NA NA +MJ025728 Aspulvinone E C17H12O5 296.068473 NA MeJP NA NA +MJ025729 Coumestrol; Di-Me ether C17H12O5 296.068473 NA MeJP NA NA +MJ025730 Gyrocyanin C17H12O5 296.068473 NA MeJP NA NA +MJ025731 Isounonal C17H12O5 296.068473 NA MeJP NA NA +MJ025732 Ligustrone A; 8,9-Dihydro, O-de-Me C17H12O5 296.068473 NA MeJP NA NA +MJ025733 Unonal C17H12O5 296.068473 NA MeJP NA NA +MetaCyc02636 aspulvinone-e [] C17H12O5 296.068473 49637-60-7 metacyc NA NA +C02006 Aspulvinone E C17H12O5 296.0685 NA KEGG NA NA +MJ025734 Flunixin C14H11F3N2O2 296.077262 NA MeJP NA NA +MJ025735 10-Bromo-1,3,7(14)-chamigratrien-9-ol C15H21BrO 296.077577 NA MeJP NA NA +MJ025736 2-(3-Bromo-1,2,2-trimethylcyclopentyl)-5-methylphenol C15H21BrO 296.077577 NA MeJP NA NA +MJ025737 4-Bromo-2,5,6-trimethyl-11-methylenetricyclo[6.2.1.01,6]undecan-3-one C15H21BrO 296.077577 NA MeJP NA NA +MJ025738 Majapolene B C15H21BrO 296.077577 NA MeJP NA NA +MJ025739 3H-Indolo[3,2,1-de][1,5]naphthyridine-2,6-dione; N3-Me, 4-methoxy, 5-hydroxy C16H12N2O4 296.079706 NA MeJP NA NA +MJ025740 Bruceolline C C16H12N2O4 296.079706 NA MeJP NA NA +MJ025741 Texaline; 5''-Methoxy C16H12N2O4 296.079706 NA MeJP NA NA +MJ025742 Chloticol C15H17ClO4 296.081536 NA MeJP NA NA +MJ025743 Peucedanol, 3'-Deoxy, 3'-chloro, 7-Me ether C15H17ClO4 296.081536 NA MeJP NA NA +MJ025744 Antibiotic NS 5; 1',2'-Didehydro, N-Ac C13H16N2O4S 296.083077 NA MeJP NA NA +MJ025745 Taltrimide C13H16N2O4S 296.083077 NA MeJP NA NA +C17010 de-Hypoxanthine futalosine C14H16O7 296.0896 NA KEGG NA NA +MJ025746 Sawaranin C14H16O7 296.089602 NA MeJP NA NA +MJ025747 Sawaranospirolide A C14H16O7 296.089602 NA MeJP NA NA +2749 ion flow regulating peptide DY 296.0899 antibacterial Inhouse_peptide NA peptide +C12331 2,3,9,10-Tetrahydroxyberberine C17H14NO4 296.0923 NA KEGG NA NA +MetaCyc02637 5'-methylthiotubercidin [7-(5-S-methyl-5-thio-β-D-ribofuranosyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine;] C12H16N4O3S1 296.094311 NA metacyc NA NA +MJ025748 Bentazepam C17H16N2OS 296.098333 NA MeJP NA NA +C03995 4-Nitrophenyl-3-ketovalidamine C13H16N2O6 296.1008 NA KEGG NA NA +PJ000203 DY C13H16N2O6 296.1008 NA PeJP NA NA +MJ025749 2-Amino-1-(4-nitrophenyl)-1,3-propanediol, N,O3-Di-Ac C13H16N2O6 296.100836 NA MeJP NA NA +MJ025750 Pukeleimide, 9,10-Dihydro, 10-hydroxy C13H16N2O6 296.100836 NA MeJP NA NA +MetaCyc02638 4-nitrophenyl-3-ketovalidamine [p-nitrophenyl-3-ketovalidamine;N-(4-nitrophenyl)-3-ketovalidamine;] C13H16N2O6 296.100836 NA metacyc NA NA +HMDB11685 DHAP(8:0) C11H21O7P 296.102478 NA HMDB2010 NA NA +FL3FA9NM0004 5,7-Dimethoxy-6-C-methylflavone C18H16O4 296.10485 109251-29-8 knapsack NA NA +FL3FA9NM0005 5-Hydroxy-7-methoxy-6,8-di-C-methylflavone;5-Hydroxy-7-methoxy-6,8-dimethylflavone;Desmosflavone;5-Hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one C18H16O4 296.10485 14004-56-9 knapsack NA NA +FL3FQUNM0001 Dasytrichone C18H16O4 296.10485 151655-69-5 knapsack NA NA +MJ025751 1,5-Bis(3,4-dihydroxyphenyl)-1,4-pentadien-3-one, 3'-Deoxy, 3''-Me ether C18H16O4 296.104859 NA MeJP NA NA +MJ025752 1,5-Dihydroxy-6-prenylxanthone C18H16O4 296.104859 NA MeJP NA NA +MJ025753 2,4-Diphenyl-1,3-cyclobutanedicarboxylic acid C18H16O4 296.104859 NA MeJP NA NA +MJ025754 2,7-Dihydroxy-1,6-dimethyl-9,10-anthraquinone; Di-Me ether C18H16O4 296.104859 NA MeJP NA NA +MJ025755 2-(2-Hydroxy-4-methoxyphenyl)-5-(3-hydroxy-1-propenyl)benzofuran C18H16O4 296.104859 NA MeJP NA NA +MJ025756 2-(4-Hydroxyphenyl)-5-(1-propenyl)benzofuran; 2'-Hydroxy, 7-methoxy C18H16O4 296.104859 NA MeJP NA NA +MJ025757 3,4-Dihydroxy-1-phenanthreneacetic acid; Di-Me ether C18H16O4 296.104859 NA MeJP NA NA +MJ025758 3,8-Dimethoxy-5H-benzo[3,4]cyclohepta[1,2-f][1,3]benzodioxole C18H16O4 296.104859 NA MeJP NA NA +MJ025759 3-(4-Hydroxyphenyl)-2-propenoic acid, O-(3-Phenylpropanoyl) C18H16O4 296.104859 NA MeJP NA NA +MJ025760 4,8-Dihydroxy-1-prenylxanthone C18H16O4 296.104859 NA MeJP NA NA +MJ025761 5,7-Dihydroxy-6,8-dimethylflavone; 7-Me ether C18H16O4 296.104859 NA MeJP NA NA +MJ025762 5,7-Dihydroxy-6-methylflavone; Di-Me ether C18H16O4 296.104859 NA MeJP NA NA +MJ025763 6-Hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one; 4'-Me ether C18H16O4 296.104859 NA MeJP NA NA +MJ025764 Bermoprofen C18H16O4 296.104859 NA MeJP NA NA +MJ025765 Butantrone C18H16O4 296.104859 NA MeJP NA NA +MJ025766 Caloxanthone F; 7-Deoxy C18H16O4 296.104859 NA MeJP NA NA +MJ025767 Combretastatin D2 C18H16O4 296.104859 NA MeJP NA NA +MJ025768 Cordatooblonguxanthone C18H16O4 296.104859 NA MeJP NA NA +MJ025769 Danshenxinkun B; 16-Hydroxy C18H16O4 296.104859 NA MeJP NA NA +MJ025770 Dasytrichone C18H16O4 296.104859 NA MeJP NA NA +MJ025771 Desmosdumotin B C18H16O4 296.104859 NA MeJP NA NA +MJ025772 Egonol; Demethoxy C18H16O4 296.104859 NA MeJP NA NA +MJ025773 Obovatal C18H16O4 296.104859 NA MeJP NA NA +MJ025774 Peniophorin A C18H16O4 296.104859 NA MeJP NA NA +MJ025775 Tanshindiol A; 18-Deoxy C18H16O4 296.104859 NA MeJP NA NA +MJ025776 Tanshinol B C18H16O4 296.104859 NA MeJP NA NA +MJ025777 Tanshinone VI C18H16O4 296.104859 NA MeJP NA NA +C10035 Dasytrichone C18H16O4 296.1049 NA KEGG NA NA +C10054 Calophyllin B C18H16O4 296.1049 NA KEGG NA NA +C14720 4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin C18H16O4 296.1049 NA KEGG NA NA +3385 ACE inhibitor MF 296.1084 celiac toxic Inhouse_peptide NA peptide +MJ025778 1-O-Glucopyranosylglycerol; 3-Ac C11H20O9 296.110732 NA MeJP NA NA +MJ025779 2-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside C11H20O9 296.110732 NA MeJP NA NA +MJ025780 2-O-?-D-Xylopyranosyl-L-arabinose; ?-L-Pyranose-form, Me glycoside C11H20O9 296.110732 NA MeJP NA NA +MJ025781 2-O-?-D-Xylopyranosyl-L-arabinose; ?-L-Pyranose-form, Me glycoside C11H20O9 296.110732 NA MeJP NA NA +MJ025782 2-O-?-L-Rhamnopyranosyl-L-arabinose C11H20O9 296.110732 NA MeJP NA NA +MJ025783 3,4-Dihydroxybutanoic acid, 3-O-?-D-Glucopyranoside, Me ester C11H20O9 296.110732 NA MeJP NA NA +MJ025784 3-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside C11H20O9 296.110732 NA MeJP NA NA +MJ025785 3-O-?-L-Arabinofuranosyl-D-xylose; ?-Pyranose-form, Me glycoside C11H20O9 296.110732 NA MeJP NA NA +MJ025786 4-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside C11H20O9 296.110732 NA MeJP NA NA +MJ025787 4-O-?-L-Rhamnopyranosyl-D-xylose C11H20O9 296.110732 NA MeJP NA NA +MJ025788 Lilioside B; Mono-Ac C11H20O9 296.110732 NA MeJP NA NA +MJ025789 Theophylline; N7-(2-Deoxy-?-D-erythro-pentofuranosyl) C12H16N4O5 296.112069 NA MeJP NA NA +MJ025790 6-Ethyl-6,7,8,9-tetrahydro-4-(trifluoromethyl)pyrido[3,2-g]quinolin-2(1H)-one C15H15F3N2O 296.113647 NA MeJP NA NA +MJ025791 6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; Me ether, Me ester C17H16N2O3 296.116092 NA MeJP NA NA +MJ025792 Emakalim C17H16N2O3 296.116092 NA MeJP NA NA +MJ025793 Glycyclamide C14H20N2O3S 296.119463 NA MeJP NA NA +PJ000204 MF C14H20N2O3S 296.1195 NA PeJP NA NA +C03218 2-Methylaminoadenosine C11H16N6O4 296.1233 NA KEGG NA NA +MJ025794 8-Azaadenosine; N,N-Di-Me C11H16N6O4 296.123303 NA MeJP NA NA +MJ025795 1,2,11-Trihydroxy-12-oxo-7-drimen-15,11-olide C15H20O6 296.125988 NA MeJP NA NA +MJ025796 1,2-Epoxy-3,4,10-trihydroxy-11(13)-guaien-12,6-olide C15H20O6 296.125988 NA MeJP NA NA +MJ025797 1,3,11-Trihydroxy-12-oxo-7-drimen-15,11-olide C15H20O6 296.125988 NA MeJP NA NA +MJ025798 2,10-Epoxy-3-deoxypseudoanisatin C15H20O6 296.125988 NA MeJP NA NA +MJ025799 3,4-Epoxy-1,2,10-trihydroxy-11(13)-guaien-12,6-olide C15H20O6 296.125988 NA MeJP NA NA +MJ025800 3,7,15-Trihydroxy-8-scirpenone C15H20O6 296.125988 NA MeJP NA NA +MJ025801 3,8-Dihydroxy-6-lactaren-5,14-olid-12-oic acid C15H20O6 296.125988 NA MeJP NA NA +MJ025802 3-Phenyl-2-propen-1-ol, O-?-D-Glucopyranoside C15H20O6 296.125988 NA MeJP NA NA +MJ025803 4,5-Epoxy-8,14,15-trihydroxy-1(10),11(13)-germacradien-12,6-olide C15H20O6 296.125988 NA MeJP NA NA +MJ025804 4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranone; 6-O-(2S,3-Dihydroxy-3-methylbutyl), 4-Me ether C15H20O6 296.125988 NA MeJP NA NA +MJ025805 4-(2-Propenyl)phenol; O-?-Glucopyranoside C15H20O6 296.125988 NA MeJP NA NA +MJ025806 5,12,14-Trihydroxy-3-cedren-15-oic acid, 14-Carboxylic acid C15H20O6 296.125988 NA MeJP NA NA +MJ025807 6-Acetyl-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3,4,5,7-tetrol, 5,7-Di-Me ether C15H20O6 296.125988 NA MeJP NA NA +MJ025808 Amotin C15H20O6 296.125988 NA MeJP NA NA +MJ025809 Anislactone A C15H20O6 296.125988 NA MeJP NA NA +MJ025810 Coriamyrtin; 8,9-Dihydro, 8-hydroxy C15H20O6 296.125988 NA MeJP NA NA +MJ025811 Fusarentin; 6-Me ether C15H20O6 296.125988 NA MeJP NA NA +MJ025812 Gonioheptolide A; Et ester analogue C15H20O6 296.125988 NA MeJP NA NA +MJ025813 Phomopsolide A; 6,7-Dihydro C15H20O6 296.125988 NA MeJP NA NA +MJ025814 Phomopsolide B C15H20O6 296.125988 NA MeJP NA NA +MJ025815 Picrodendrin C; 6-Deoxy C15H20O6 296.125988 NA MeJP NA NA +C09747 Vomitoxin C15H20O6 296.126 NA KEGG NA NA +C14537 Trimethylolpropane triacrylate C15H20O6 296.126 NA KEGG NA NA +MJ025816 Renytoline C21H16N2 296.131348 NA MeJP NA NA +MJ025817 Fluproquazone C18H17FN2O 296.132491 NA MeJP NA NA +C16609 Didemethylcitalopram C18H17FN2O 296.1325 NA KEGG NA NA +C07175 Methdilazine C18H20N2S 296.1347 NA KEGG NA NA +C07176 Transferred to D00393 C18H20N2S 296.1347 NA KEGG NA NA +MJ025818 10-[2-(1-Pyrrolidinyl)ethyl]-10H-phenothiazine C18H20N2S 296.134719 NA MeJP NA NA +MJ025819 Methdilazine C18H20N2S 296.134719 NA MeJP NA NA +MJ025820 1,13-Diisothiocyanato-1,12-tridecadiene, 1,2-Dihydro C15H24N2S2 296.13809 NA MeJP NA NA +MJ025821 Amicarbalide C15H16N6O 296.138559 NA MeJP NA NA +C10285 4-Prenylresveratrol C19H20O3 296.1412 NA KEGG NA NA +MJ025822 1,7-Bis(4-hydroxyphenyl)-4-hepten-3-one C19H20O3 296.141244 NA MeJP NA NA +MJ025823 1,7-Diphenyl-3,5-heptanediol, 1,2-Didehydro, 4'-hydroxy, 5-ketone (E-) C19H20O3 296.141244 NA MeJP NA NA +MJ025824 14,16-Epoxy-20-nor-5(10),6,8,13-abietatetraene-11,12-dione C19H20O3 296.141244 NA MeJP NA NA +MJ025825 2,2'-Dihydroxy-3-methoxy-5,5'-di-2-propenylbiphenyl C19H20O3 296.141244 NA MeJP NA NA +MJ025826 2,2-Dimethyl-5-(2-phenylethyl)-2H-1-benzopyran-7,8-diol C19H20O3 296.141244 NA MeJP NA NA +MJ025827 2,3-Dihydro-2-(1-methylethenyl)-4-(2-phenylethyl)-6-benzofuranol, 7-Hydroxy C19H20O3 296.141244 NA MeJP NA NA +MJ025828 2,3-Dihydroxy-4',5-di-2-propenyldiphenyl ether; 3-Me ether C19H20O3 296.141244 NA MeJP NA NA +MJ025829 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3-methyl-5-(1-propenyl)benzofuran, 3'-Me ether C19H20O3 296.141244 NA MeJP NA NA +MJ025830 3-(1,1-Dimethylallyl)xanthyletin C19H20O3 296.141244 NA MeJP NA NA +MJ025831 3-Prenylxanthyletin C19H20O3 296.141244 NA MeJP NA NA +MJ025832 4,4',5-Trihydroxy-2,7'-cyclolignan, 4,5-Methylene ether C19H20O3 296.141244 NA MeJP NA NA +MJ025833 5-[(4-Hydroxypheny)ethenyl]-2-(3-methyl-1-butenyl)-1,3-benzenediol C19H20O3 296.141244 NA MeJP NA NA +MJ025834 7-Allyl-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-3-methylbenzofuran, 5-Me ether C19H20O3 296.141244 NA MeJP NA NA +MJ025835 8-Methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one C19H20O3 296.141244 NA MeJP NA NA +MJ025836 Acerogenin B, Ketone C19H20O3 296.141244 NA MeJP NA NA +MJ025837 Alnusdiol; 11-Deoxy, 9-ketone C19H20O3 296.141244 NA MeJP NA NA +MJ025838 Arachidin I, 3'-Deoxy C19H20O3 296.141244 NA MeJP NA NA +MJ025839 Arachidin II C19H20O3 296.141244 NA MeJP NA NA +MJ025840 Centrolobin, 4,5-Didehydro, O-de-Me C19H20O3 296.141244 NA MeJP NA NA +MJ025841 Chalepin, Deoxy, 1',2'-didehydro C19H20O3 296.141244 NA MeJP NA NA +MJ025842 Chiricanin B C19H20O3 296.141244 NA MeJP NA NA +MJ025843 Conocarpan, 5-Methoxy C19H20O3 296.141244 NA MeJP NA NA +MJ025844 Cryptofolione; 6'-Deoxy, 5',6'-didehydro C19H20O3 296.141244 NA MeJP NA NA +MJ025845 Isocryptotanshinone C19H20O3 296.141244 NA MeJP NA NA +MJ025846 Larreatridenticin C19H20O3 296.141244 NA MeJP NA NA +MJ025847 Mundulea lactone C19H20O3 296.141244 NA MeJP NA NA +MJ025848 Perrottetin D C19H20O3 296.141244 NA MeJP NA NA +MJ025849 Radulanin A; 2'-Hydroxy C19H20O3 296.141244 NA MeJP NA NA +MJ025850 Radulanin A; 4'-Hydroxy C19H20O3 296.141244 NA MeJP NA NA +MJ025851 Termilignan C19H20O3 296.141244 NA MeJP NA NA +MJ025852 Zapotecol; 8'-Ketone C19H20O3 296.141244 NA MeJP NA NA +MJ025853 Caryophyllose C12H24O8 296.147117 NA MeJP NA NA +MJ025854 1,4-Butanediamine; N,N'-Dibenzoyl C18H20N2O2 296.152477 NA MeJP NA NA +MJ025855 Alamaridine; Natural-form C18H20N2O2 296.152477 NA MeJP NA NA +MJ025856 Deethylibophyllidine C18H20N2O2 296.152477 NA MeJP NA NA +MJ025857 Piperazinomycin C18H20N2O2 296.152477 NA MeJP NA NA +MJ025858 Vinconate C18H20N2O2 296.152477 NA MeJP NA NA +MJ025859 1-Heptadecene-11,13-diyne-8,9,10-triol, 8-Deoxy, 8-chloro C17H25ClO2 296.154307 NA MeJP NA NA +MJ025860 10-Chloro-1-heptadecene-4,6-diyne-3,9-diol C17H25ClO2 296.154307 NA MeJP NA NA +MJ025861 7-Chloro-3,9,12-pentadecatrien-1-yn-6-ol, 12,13-Dihydro, Ac C17H25ClO2 296.154307 NA MeJP NA NA +7504 ACE inhibitor SKVYP 296.1545 MH2+ Inhouse_peptide NA peptide +2671 synthetic fr, of human beta-CN (123-127) ACE inhibitor NLHLP 296.16045 MH2+ Inhouse_peptide NA peptide +MJ025862 1,2,6-Trihydroxy-4(15),11(13)-eudesmadien-12-oic acid, Me ester C16H24O5 296.162373 NA MeJP NA NA +MJ025863 1,3,6-Trihydroxy-4(15),11(13)-eudesmadien-12-oic acid, Me ester C16H24O5 296.162373 NA MeJP NA NA +MJ025864 1,4,10-Trihydroxy-2-aromadendren-12-oic acid, Me ester C16H24O5 296.162373 NA MeJP NA NA +MJ025865 1,4,10-Trihydroxy-2-guaien-12,6-olide, 1-Me ether C16H24O5 296.162373 NA MeJP NA NA +MJ025866 1,6,13-Trihydroxy-4,10(14)-germacradien-12,8-olide, 13-Me ether C16H24O5 296.162373 NA MeJP NA NA +MJ025867 1,6,8-Trihydroxy-4(15),11(13)-eudesmadien-12-oic acid, Me ester C16H24O5 296.162373 NA MeJP NA NA +MJ025868 13,14,15,16-Tetranor-8(17)-labdene-12,19-dioic acid; 7?-Hydroxy C16H24O5 296.162373 NA MeJP NA NA +MJ025869 2,4-Dihydroxy-6-(6-hydroxyheptyl)benzoic acid, Et ester C16H24O5 296.162373 NA MeJP NA NA +MJ025870 3,5,10-Trihydroxy-10-methyl-6,7-megastigmadien-9-one; 5-Ac C16H24O5 296.162373 NA MeJP NA NA +MJ025871 3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 6-Me ether C16H24O5 296.162373 NA MeJP NA NA +MJ025872 4,5-Epoxy-6,13-dihydroxy-1(10)-germacren-12,8-olide, 13-Me ether C16H24O5 296.162373 NA MeJP NA NA +MJ025873 4,6-Dihydroxy-9-oxo-7-eudesmen-12-oic acid, Me ester C16H24O5 296.162373 NA MeJP NA NA +MJ025874 5-Hydroperoxy-6-hydroxy-4(15),11(13)-eudesmadien-12-oic acid, Me ester C16H24O5 296.162373 NA MeJP NA NA +MJ025875 6,8,10-Trihydroxy-7(11)-eremophilen-12,8-olide, 6-Me ether C16H24O5 296.162373 NA MeJP NA NA +MJ025876 6,8,10-Trihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether C16H24O5 296.162373 NA MeJP NA NA +MJ025877 6,8,15-Trihydroxy-1,3,11(13)-elematrien-12-oic acid, Me ester C16H24O5 296.162373 NA MeJP NA NA +MJ025878 7,14-Epoxy-3,8-dihydroxy-5,14-lactaranolide, 3-Me ether C16H24O5 296.162373 NA MeJP NA NA +MJ025879 7,8-Epoxy-3,6-dihydroxy-12,8-eremophilanolide, 6-Me ether C16H24O5 296.162373 NA MeJP NA NA +MJ025880 Benesudon C16H24O5 296.162373 NA MeJP NA NA +MJ025881 Brefeldin A; 8-Hydroxy C16H24O5 296.162373 NA MeJP NA NA +MJ025882 Dihydrophaseic acid; Me ester C16H24O5 296.162373 NA MeJP NA NA +MJ025883 Exiproben C16H24O5 296.162373 NA MeJP NA NA +MJ025884 Flakinin B C16H24O5 296.162373 NA MeJP NA NA +MJ025885 Hymenoxon; 3-Me ether C16H24O5 296.162373 NA MeJP NA NA +MJ025886 Hymenoxon; 4-Me ether C16H24O5 296.162373 NA MeJP NA NA +MJ025887 Illicinone E; 2?,3-Dihydro, Me ether C16H24O5 296.162373 NA MeJP NA NA +MJ025888 Illicinone E; 2?,3-Dihydro, Me ether C16H24O5 296.162373 NA MeJP NA NA +MJ025889 Ovalicin C16H24O5 296.162373 NA MeJP NA NA +MJ025890 Pseudomajucin; 8-Me ether C16H24O5 296.162373 NA MeJP NA NA +MJ025891 Rugosal A; 14-Carboxylic acid, Me ester C16H24O5 296.162373 NA MeJP NA NA +C09674 Graphinone C16H24O5 296.1624 NA KEGG NA NA +MJ025892 Propizepine C17H20N4O 296.163711 NA MeJP NA NA +MJ025893 3,4,13-Trihydroxylupanine C15H24N2O4 296.173607 NA MeJP NA NA +MJ025894 3,8,13-Trihydroxylupanine C15H24N2O4 296.173607 NA MeJP NA NA +MJ025895 Batelapine C16H20N6 296.174944 NA MeJP NA NA +EUR378 Aldosterone F5 F5 296.177075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR378 Aldosterone F5 NA 296.177075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR378 Aldosterone F5 F5 296.177075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR378 Aldosterone F5 NA 296.177075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR378 Aldosterone F5 F5 296.177075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJpos0705 Ketoretinoic acid Glucuronide (and isomers) [(M+H)-(C6H10O7)]+ C20H25O2 296.177075 C18rt(min)=8.85 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR378 Aldosterone F5 NA 296.177075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR378 Aldosterone F5 F5 296.177075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0705 Ketoretinoic acid Glucuronide (and isomers) [(M+H)-(C6H10O7)]+ C20H25O2 296.177075 C18rt(min)=8.85 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +EUR378 Aldosterone F5 F5 296.177075 standards wishlist analysés sur QTOF HMDB NA NA +EUR378 Aldosterone F5 F5 296.177075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR378 Aldosterone F5 NA 296.177075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR378 Aldosterone F5 F5 296.177075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR378 Aldosterone F5 F5 296.177075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C07534 Ethynyl estradiol C20H24O2 296.1776 NA KEGG NA NA +C08162 Exemestane C20H24O2 296.1776 NA KEGG NA NA +C14391 Diethylstilbestrol dimethyl ether C20H24O2 296.1776 NA KEGG NA NA +C15063 3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abeta-ol C20H24O2 296.1776 NA KEGG NA NA +C15124 3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17a-one C20H24O2 296.1776 NA KEGG NA NA +MJ025896 1,8,11,13-Cleistanthatetraene-3,7-dione C20H24O2 296.17763 NA MeJP NA NA +MJ025897 2,3-Dihydro-2,2-diprenylnaphthoquinone C20H24O2 296.17763 NA MeJP NA NA +MJ025898 2-(3-Methyl-2-butenyl)-5-(2-phenylethyl)-1,3-benzenediol; 3-Me ether C20H24O2 296.17763 NA MeJP NA NA +MJ025899 2-(3-Methyl-2-butenyl)-5-[2-(4-hydroxyphenyl)ethyl]phenol; 1-Me ether C20H24O2 296.17763 NA MeJP NA NA +MJ025900 2-(3-Methyl-2-butenyl)-5-[2-(4-hydroxyphenyl)ethyl]phenol; 4'-Me ether C20H24O2 296.17763 NA MeJP NA NA +MJ025901 4(10),6,11(18),15-Rhamnofolatetraene-1,5-dione C20H24O2 296.17763 NA MeJP NA NA +MJ025902 4-(3-Methyl-2-butenyl)-5-(2-phenylethyl)-1,3-benzenediol; 1-Me ether C20H24O2 296.17763 NA MeJP NA NA +MJ025903 4-(3-Methyl-2-butenyl)-5-(2-phenylethyl)-1,3-benzenediol; 3-Me ether C20H24O2 296.17763 NA MeJP NA NA +MJ025904 5-Methoxy-1,7-diphenyl-3-heptanone C20H24O2 296.17763 NA MeJP NA NA +MJ025905 Aegyptinone B; 12,16-Dideoxy C20H24O2 296.17763 NA MeJP NA NA +MJ025906 Aethiopinone C20H24O2 296.17763 NA MeJP NA NA +MJ025907 Candidissiol C20H24O2 296.17763 NA MeJP NA NA +MJ025908 Crocetindialdehyde C20H24O2 296.17763 NA MeJP NA NA +MJ025909 Crotofolin C C20H24O2 296.17763 NA MeJP NA NA +MJ025910 Diclausenan C20H24O2 296.17763 NA MeJP NA NA +MJ025911 Ethinylestradiol C20H24O2 296.17763 NA MeJP NA NA +MJ025912 Exemestane C20H24O2 296.17763 NA MeJP NA NA +MJ025913 Falconensone B C20H24O2 296.17763 NA MeJP NA NA +MJ025914 Frondosin B C20H24O2 296.17763 NA MeJP NA NA +MJ025915 Inulavosin C20H24O2 296.17763 NA MeJP NA NA +MJ025916 Jatropholone B C20H24O2 296.17763 NA MeJP NA NA +MJ025917 Sapriparaquinone; 4,18-Didehydro, 12-deoxy C20H24O2 296.17763 NA MeJP NA NA +HMDB01926 17a-Ethynylestradiol C20H24O2 296.17764 http://www.hmdb.ca/metabolites/HMDB01926 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01926 17a-Ethynylestradiol C20H24O2 296.17764 http://www.hmdb.ca/metabolites/HMDB01926 HMDB NA NA +HMDB01926 17a-Ethynylestradiol C20H24O2 296.17764 http://www.hmdb.ca/metabolites/HMDB01926 PFEM_hmdb_metabocards_blood NA blood +HMDB01926 17a-Ethynylestradiol C20H24O2 296.17764 HMDB01926 PFEM_hmdb_metabocards_official NA NA +HMDB01926 17a-Ethynylestradiol C20H24O2 296.177643 NA HMDB2010 NA NA +MJ025918 16-Decarbomethoxy-19,20-dihydrovobasine C19H24N2O 296.188863 NA MeJP NA NA +MJ025919 16-Hydroxyalloibogamine C19H24N2O 296.188863 NA MeJP NA NA +MJ025920 20-Hydroxy-1,2-dehydro-?-aspidospermidine C19H24N2O 296.188863 NA MeJP NA NA +MJ025921 Adenocarpine C19H24N2O 296.188863 NA MeJP NA NA +MJ025922 Andrangine C19H24N2O 296.188863 NA MeJP NA NA +MJ025923 Antirhine; natural-form C19H24N2O 296.188863 NA MeJP NA NA +MJ025924 Apodihydrocinchonamine C19H24N2O 296.188863 NA MeJP NA NA +MJ025925 Aspidoalbidine C19H24N2O 296.188863 NA MeJP NA NA +MJ025926 Aspidospermidine, 3-Oxo C19H24N2O 296.188863 NA MeJP NA NA +MJ025927 Aspidospermidine, 5-Oxo C19H24N2O 296.188863 NA MeJP NA NA +MJ025928 Capuronidine C19H24N2O 296.188863 NA MeJP NA NA +MJ025929 Cinchonamine C19H24N2O 296.188863 NA MeJP NA NA +MJ025930 Cinchonidine; 10,11-Dihydro C19H24N2O 296.188863 NA MeJP NA NA +MJ025931 Cinchonine; 10,11-Dihydro C19H24N2O 296.188863 NA MeJP NA NA +MJ025932 Corynantheol C19H24N2O 296.188863 NA MeJP NA NA +MJ025933 Dimevamide C19H24N2O 296.188863 NA MeJP NA NA +MJ025934 Eburenine, Nb-Oxide C19H24N2O 296.188863 NA MeJP NA NA +MJ025935 Eburnamine C19H24N2O 296.188863 NA MeJP NA NA +MJ025936 Geissoschizol C19H24N2O 296.188863 NA MeJP NA NA +MJ025937 Ibogamine pseudoindoxyl C19H24N2O 296.188863 NA MeJP NA NA +MJ025938 Ibogamine, 19R-Hydroxy C19H24N2O 296.188863 NA MeJP NA NA +MJ025939 Iboluteine; Demethoxy C19H24N2O 296.188863 NA MeJP NA NA +MJ025940 Imipramine; 5-N-Oxide C19H24N2O 296.188863 NA MeJP NA NA +MJ025941 Isogeissoschizol C19H24N2O 296.188863 NA MeJP NA NA +MJ025942 Melinonine B; N-De-Me C19H24N2O 296.188863 NA MeJP NA NA +MJ025943 N-(1-Phenylheptyl)-3-pyridinecarboxamide C19H24N2O 296.188863 NA MeJP NA NA +MJ025944 N-[(2-Methoxyphenyl)methyl]-2-phenyl-3-piperidinamine C19H24N2O 296.188863 NA MeJP NA NA +MJ025945 Palonosetron C19H24N2O 296.188863 NA MeJP NA NA +MJ025946 Retuline; 16-Epimer, N-de-Ac C19H24N2O 296.188863 NA MeJP NA NA +MJ025947 Retuline; N-De-Ac C19H24N2O 296.188863 NA MeJP NA NA +MJ025948 Rhazinilam, 5,21-Dihydro C19H24N2O 296.188863 NA MeJP NA NA +MJ025949 Silicine C19H24N2O 296.188863 NA MeJP NA NA +MJ025950 Spermostrychnine; N-De Ac C19H24N2O 296.188863 NA MeJP NA NA +MJ025951 Tacamonine; 16?-Alcohol C19H24N2O 296.188863 NA MeJP NA NA +MJ025952 Tacamonine; 16?-Alcohol C19H24N2O 296.188863 NA MeJP NA NA +MJ025953 Tubifolidine; 19,20-Didehydro, 12-methoxy C19H24N2O 296.188863 NA MeJP NA NA +MJ025954 Vincanol C19H24N2O 296.188863 NA MeJP NA NA +MJ025955 Voaphylline C19H24N2O 296.188863 NA MeJP NA NA +MJ025956 Yohimbol C19H24N2O 296.188863 NA MeJP NA NA +MJ025957 Ophiorrhizine C19H25N2O(+) 296.188863 NA MeJP NA NA +C09033 Antirhine C19H24N2O 296.1889 NA KEGG NA NA +C09146 Eburnamine C19H24N2O 296.1889 NA KEGG NA NA +C10123 Adenocarpine C19H24N2O 296.1889 NA KEGG NA NA +C16727 Cinchonamine C19H24N2O 296.1889 NA KEGG NA NA +MJ025958 1(10),4(15)-Germacradiene-2,5,11-triol, 1-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025959 1(10),4(15)-Germacradiene-2,5,6-triol, 2-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025960 1(10),4(15)-Germacradiene-5,6,14-triol, 14-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025961 1(10),4-Germacradiene-2,6-diol, 4?,5?-Epoxide, 2-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025962 1(10),5-Germacradiene-4,11,12-triol, 12-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025963 1,5,9-Farnesatriene-3,7,11-triol, 3-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025964 1,6,10-Farnesatriene-3,5,9-triol, 9-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025965 1,6,10-Farnesatriene-3,9,12-triol, 9-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025966 1,6,9-Farnesatriene-3,5,11-triol, 5-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025967 10,11-Epoxy-2,8-guaianediol, 2-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025968 10,11-Epoxy-2,8-guaianediol, 8-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025969 11,12-Dihydroxy-4-pseudoguaianone, 12-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025970 2,6,10-Farnesatriene-1,5,12-triol, 5-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025971 2,6,10-Farnesatriene-1,8,12-triol, 1-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025972 2,6,10-Farnesatriene-1,8,12-triol, 12-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025973 2,6,10-Farnesatriene-1,8,12-triol, 8-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025974 3,10-Dihydroxy-4-oplopanone, 3-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025975 3,4-Dihydroxypallenone; 3-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025976 4(15)-Eudesmene-1,2,6-triol, 6-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025977 4(15)-Eudesmene-1,5,6-triol, 6-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025978 4,10(14)-Germacradiene-1,2,6-triol, 6-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025979 4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025980 4,9-Germacradiene-1,2,6-triol, 6-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025981 5(14),10-Cyclofarnesadiene-2,4,9-triol; 2-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025982 5,10(14)-Germacradiene-1,3,4-triol, 3-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025983 6,12,14-Trihydroxy-3(15)-caryophyllen-8-one, 6,14-Di-Me ether C17H28O4 296.198759 NA MeJP NA NA +MJ025984 7,11-Epoxy-1-bisabolene-3,10-diol; 10-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025985 7-Eudesmene-1,3,4-triol, 3-Ac C17H28O4 296.198759 NA MeJP NA NA +MJ025986 Acaranoic acid; 1',3-Didehydro C17H28O4 296.198759 NA MeJP NA NA +MJ025987 Albocycline; 2,3-Dihydro, O-de-Me C17H28O4 296.198759 NA MeJP NA NA +MJ025988 Albocycline; 5,6-Dihydro, O-de-Me C17H28O4 296.198759 NA MeJP NA NA +MJ025989 Albocycline; 7-Demethoxy, 9-hydroxy, 2,3-dihydro, ?7,8-isomer C17H28O4 296.198759 NA MeJP NA NA +MJ025990 Gingerdiols; [6]-Gingerdiol C17H28O4 296.198759 NA MeJP NA NA +MJ025991 Methymycin; Aglycone, 10-deoxy C17H28O4 296.198759 NA MeJP NA NA +MJ025992 Nephrosterinic acid C17H28O4 296.198759 NA MeJP NA NA +MJ025993 Rubrynolide C17H28O4 296.198759 NA MeJP NA NA +C11993 10-Deoxymethynolide C17H28O4 296.1988 NA KEGG NA NA +MJ025994 5-[[(Octahydro-2H-quinolizin-1-yl)methyl]amino]-5-oxopentanoic acid, Me ester C16H28N2O3 296.209992 NA MeJP NA NA +MJ025995 Sophora Base 9 C16H28N2O3 296.209992 NA MeJP NA NA +MJ025996 Termisine C16H28N2O3 296.209992 NA MeJP NA NA +MJ025997 19-Norpregna-1,3,5(10),20-tetraen-3-ol; Me ether C21H28O 296.214015 NA MeJP NA NA +MJ025998 Pregna-1,4,20-trien-3-one C21H28O 296.214015 NA MeJP NA NA +MJ025999 Aspidospermidine, N1-Me C20H28N2 296.225248 NA MeJP NA NA +MJ026000 Quebrachamine, N-Me C20H28N2 296.225248 NA MeJP NA NA +MJ026001 Vallesamidine C20H28N2 296.225248 NA MeJP NA NA +EUR509 9-HODE F1 NA 296.235025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR509 9-HODE F1 NA 296.235025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR509 9-HODE F1 NA 296.235025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR509 9-HODE F1 NA 296.235025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR509 9-HODE F1 NA 296.235025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR509 9-HODE F1 NA 296.235025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR509 9-HODE F1 NA 296.235025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR509 9-HODE F1 NA 296.235025 standards wishlist analysés sur QTOF HMDB NA NA +EUR509 9-HODE F1 NA 296.235025 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR509 9-HODE F1 NA 296.235025 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR509 9-HODE F1 NA 296.235025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR509 9-HODE F1 NA 296.235025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR112 12(13)-EpOME C18H32O3 296.2351 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR113 9(10)-EpOME C18H32O3 296.2351 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR115 13-HODE C18H32O3 296.2351 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR119 9-HODE C18H32O3 296.2351 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR112 12(13)-EpOME C18H32O3 296.2351 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR113 9(10)-EpOME C18H32O3 296.2351 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR115 13-HODE C18H32O3 296.2351 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR119 9-HODE C18H32O3 296.2351 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR112 12(13)-EpOME C18H32O3 296.2351 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR113 9(10)-EpOME C18H32O3 296.2351 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR115 13-HODE C18H32O3 296.2351 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR119 9-HODE C18H32O3 296.2351 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR112 12(13)-EpOME C18H32O3 296.2351 Wishlist Inhousejuil11 NA NA +EUR113 9(10)-EpOME C18H32O3 296.2351 Wishlist Inhousejuil11 NA NA +EUR115 13-HODE C18H32O3 296.2351 Wishlist Inhousejuil11 NA NA +EUR119 9-HODE C18H32O3 296.2351 Wishlist Inhousejuil11 NA NA +C08318 (9Z,12Z)-(8S)-Hydroxyoctadeca-9,12-dienoic acid C18H32O3 296.2351 NA KEGG NA NA +C08368 (9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid C18H32O3 296.2351 NA KEGG NA NA +C14762 13(S)-HODE C18H32O3 296.2351 NA KEGG NA NA +C14767 9(S)-HODE C18H32O3 296.2351 NA KEGG NA NA +C14825 9(10)-EpOME C18H32O3 296.2351 NA KEGG NA NA +C14826 12(13)-EpOME C18H32O3 296.2351 NA KEGG NA NA +HMDB04667 13S-hydroxyoctadecadienoic acid C18H32O3 296.235138 NA HMDB2010 NA NA +HMDB04670 Alpha-dimorphecolic C18H32O3 296.235138 NA HMDB2010 NA NA +HMDB04701 9,10-Epoxyoctadecenoic acid C18H32O3 296.235138 NA HMDB2010 NA NA +HMDB04702 12,13-EpOME C18H32O3 296.235138 NA HMDB2010 NA NA +HMDB10223 9-HODE C18H32O3 296.235138 NA HMDB2010 NA NA +HMDB04667 13S-hydroxyoctadecadienoic acid C18H32O3 296.23514 http://www.hmdb.ca/metabolites/HMDB04667 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04667 13S-hydroxyoctadecadienoic acid C18H32O3 296.23514 http://www.hmdb.ca/metabolites/HMDB04667 HMDB NA NA +HMDB04670 Alpha-dimorphecolic C18H32O3 296.23514 http://www.hmdb.ca/metabolites/HMDB04670 HMDB NA NA +HMDB04701 9,10-epoxyoctadecenoic acid C18H32O3 296.23514 http://www.hmdb.ca/metabolites/HMDB04701 HMDB NA NA +HMDB04702 12(13)-EpOME C18H32O3 296.23514 http://www.hmdb.ca/metabolites/HMDB04702 HMDB NA NA +HMDB04667 13S-hydroxyoctadecadienoic acid C18H32O3 296.23514 http://www.hmdb.ca/metabolites/HMDB04667 PFEM_hmdb_metabocards_blood NA blood +HMDB04667 13S-hydroxyoctadecadienoic acid C18H32O3 296.23514 HMDB04667 PFEM_hmdb_metabocards_official NA NA +HMDB04670 Alpha-dimorphecolic C18H32O3 296.23514 HMDB04670 PFEM_hmdb_metabocards_official NA NA +HMDB04701 9,10-epoxyoctadecenoic acid C18H32O3 296.23514 HMDB04701 PFEM_hmdb_metabocards_official NA NA +HMDB04702 12(13)-EpOME C18H32O3 296.23514 HMDB04702 PFEM_hmdb_metabocards_official NA NA +MJ026002 10-Hydroxy-8,12-octadecadienoic acid C18H32O3 296.235144 NA MeJP NA NA +MJ026003 12,13-Dihydroxy-9-octadecenoic acid, 1,13-Lactone C18H32O3 296.235144 NA MeJP NA NA +MJ026004 12,13-Epoxy-9-octadecenoic acid C18H32O3 296.235144 NA MeJP NA NA +MJ026005 12-Hydroxy-8,10-octadecadienoic acid C18H32O3 296.235144 NA MeJP NA NA +MJ026006 12-Hydroxy-9,13-octadecadienoic acid C18H32O3 296.235144 NA MeJP NA NA +MJ026007 12-Hydroxy-9,15-octadecadienoic acid C18H32O3 296.235144 NA MeJP NA NA +MJ026008 13-Hydroxy-9,11-octadecadienoic acid C18H32O3 296.235144 NA MeJP NA NA +MJ026009 13-Oxo-9-octadecenoic acid C18H32O3 296.235144 NA MeJP NA NA +MJ026010 14,15-Dihydroxy-1,2-dinor-6,10-phytadien-3-one C18H32O3 296.235144 NA MeJP NA NA +MJ026011 15-Hydroxy-9,12-octadecadienoic acid C18H32O3 296.235144 NA MeJP NA NA +MJ026012 4,13-Dihydroxy-15,16-dinor-4,5-seco-5-rosanone C18H32O3 296.235144 NA MeJP NA NA +MJ026013 7-Hydroxy-7-vinyl-4-hexadecenoic acid C18H32O3 296.235144 NA MeJP NA NA +MJ026014 7-Hydroxy-9-methyl-4,8-hexadecadienoic acid, Me ether C18H32O3 296.235144 NA MeJP NA NA +MJ026015 7-Oxo-11-octadecenoic acid C18H32O3 296.235144 NA MeJP NA NA +MJ026016 8-Hydroxy-9,12-octadecadienoic acid C18H32O3 296.235144 NA MeJP NA NA +MJ026017 9,10-Epoxy-12-octadecenoic acid C18H32O3 296.235144 NA MeJP NA NA +MJ026018 9-Hydroxy-10,12-octadecadienoic acid C18H32O3 296.235144 NA MeJP NA NA +MJ026019 9-Oxo-11-octadecenoic acid C18H32O3 296.235144 NA MeJP NA NA +MJ026020 9-Oxo-13-octadecenoic acid C18H32O3 296.235144 NA MeJP NA NA +MJ026021 Dihydro-5-(7-hydroxy-8-tetradecenyl)-2(3H)-furanone C18H32O3 296.235144 NA MeJP NA NA +MJ026022 Feronolide C18H32O3 296.235144 NA MeJP NA NA +MJ026023 Tetrahydro-6-(3-hydroxy-4,7-tridecadienyl)-2H-pyran-2-one; 7',8'-Dihydro C18H32O3 296.235144 NA MeJP NA NA +MJ026024 [3-Ethyl-5-(2-ethyl-3-hexenyl)tetrahydro-5-methyl-2-furanylidene]acetic acid; 9,10-Dihydro, Me ester C18H32O3 296.235144 NA MeJP NA NA +EUR112 12(13)-EpOME C18H32O3 296.235145 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR113 9(10)-EpOME C18H32O3 296.235145 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR115 13-HODE C18H32O3 296.235145 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR112 12(13)-EpOME C18H32O3 296.235145 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR113 9(10)-EpOME C18H32O3 296.235145 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR115 13-HODE C18H32O3 296.235145 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR112 12(13)-EpOME C18H32O3 296.235145 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR113 9(10)-EpOME C18H32O3 296.235145 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR115 13-HODE C18H32O3 296.235145 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR112 12(13)-EpOME C18H32O3 296.235145 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR113 9(10)-EpOME C18H32O3 296.235145 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR115 13-HODE C18H32O3 296.235145 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR112 12(13)-EpOME C18H32O3 296.235145 Wishlist HMDB NA NA +EUR113 9(10)-EpOME C18H32O3 296.235145 Wishlist HMDB NA NA +EUR115 13-HODE C18H32O3 296.235145 Wishlist HMDB NA NA +EUR112 12(13)-EpOME C18H32O3 296.235145 Wishlist Inhouse_PFEM NA NA +EUR113 9(10)-EpOME C18H32O3 296.235145 Wishlist Inhouse_PFEM NA NA +EUR115 13-HODE C18H32O3 296.235145 Wishlist Inhouse_PFEM NA NA +MetaCyc02639 18-oxooleate [18-oxooctadec-9-enoic acid;] C18H32O3 296.235145 NA metacyc NA NA +EUR112 12(13)-EpOME C18H32O3 296.235145 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR113 9(10)-EpOME C18H32O3 296.235145 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR115 13-HODE C18H32O3 296.235145 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR112 12(13)-EpOME C18H32O3 296.235145 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR113 9(10)-EpOME C18H32O3 296.235145 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR115 13-HODE C18H32O3 296.235145 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR522 12,13-EPOME F1 NA 296.236025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR522 12,13-EPOME F1 NA 296.236025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR522 12,13-EPOME F1 NA 296.236025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR522 12,13-EPOME F1 NA 296.236025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR522 12,13-EPOME F1 NA 296.236025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR522 12,13-EPOME F1 NA 296.236025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR522 12,13-EPOME F1 NA 296.236025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR522 12,13-EPOME F1 NA 296.236025 standards wishlist analysés sur QTOF HMDB NA NA +EUR522 12,13-EPOME F1 NA 296.236025 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR522 12,13-EPOME F1 NA 296.236025 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR522 12,13-EPOME F1 NA 296.236025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR522 12,13-EPOME F1 NA 296.236025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ026025 3-Docosene-1,8,21-triyne C22H32 296.250401 NA MeJP NA NA +MJ026026 Aplysillamide A C16H32N4O 296.257611 NA MeJP NA NA +C03425 Oleic acid methyl ester C19H36O2 296.2715 NA KEGG NA NA +C03426 Polysulfate of charonin C19H36O2 296.2715 NA KEGG NA NA +C13787 17-Methyl-6Z-octadecenoic acid C19H36O2 296.2715 NA KEGG NA NA +C13838 Lactobacillic acid C19H36O2 296.2715 NA KEGG NA NA +C13839 Transferred to D02146 C19H36O2 296.2715 NA KEGG NA NA +HMDB13622 Nonadeca-10(Z)-enoic acid C19H36O2 296.271515 NA HMDB2010 NA NA +MJ026027 10-Methyl-9-octadecenoic acid C19H36O2 296.27153 NA MeJP NA NA +MJ026028 11-Heptadecen-1-ol, Ac C19H36O2 296.27153 NA MeJP NA NA +MJ026029 11-Methyl-12-octadecenoic acid C19H36O2 296.27153 NA MeJP NA NA +MJ026030 12-Methyl-5-octadecenoic acid C19H36O2 296.27153 NA MeJP NA NA +MJ026031 13-Octadecenoic acid, Me ester C19H36O2 296.27153 NA MeJP NA NA +MJ026032 2-Hexylcyclopropanedecanoic acid C19H36O2 296.27153 NA MeJP NA NA +MJ026033 2-Octylcyclopropaneoctanoic acid C19H36O2 296.27153 NA MeJP NA NA +MJ026034 4,6-Nonadecanedione C19H36O2 296.27153 NA MeJP NA NA +MJ026035 6-Nonadecenoic acid C19H36O2 296.27153 NA MeJP NA NA +MJ026036 7-Methyl-6-octadecenoic acid C19H36O2 296.27153 NA MeJP NA NA +MJ026037 9,18-Nonadecadiene-6,7-diol C19H36O2 296.27153 NA MeJP NA NA +MJ026038 9-Hexadecenoic acid, Isopropyl ester C19H36O2 296.27153 NA MeJP NA NA +MetaCyc02640 dihydrosterculate [dihydrosterculic acid;] C19H36O2 296.27153 NA metacyc NA NA +MetaCyc02641 lactobacillate [lactobacillic acid;] C19H36O2 296.27153 NA metacyc NA NA +C01389 Phytol C20H40O 296.3079 NA KEGG NA NA +MJ026039 1-Phyten-3-ol C20H40O 296.307915 NA MeJP NA NA +MJ026040 11-Eicosen-1-ol C20H40O 296.307915 NA MeJP NA NA +MJ026041 15-Eicosen-1-ol C20H40O 296.307915 NA MeJP NA NA +MJ026042 2-Eicosanone C20H40O 296.307915 NA MeJP NA NA +MJ026043 2-Phyten-1-ol C20H40O 296.307915 NA MeJP NA NA +MetaCyc02642 phytol [] C20H40O1 296.307916 NA metacyc NA NA +HMDB02019 Phytol C20H40O 296.30792 http://www.hmdb.ca/metabolites/HMDB02019 HMDB NA NA +HMDB03208 Thromboxane C20H40O 296.30792 http://www.hmdb.ca/metabolites/HMDB03208 HMDB NA NA +HMDB02019 Phytol C20H40O 296.30792 HMDB02019 PFEM_hmdb_metabocards_official NA NA +HMDB03208 Thromboxane C20H40O 296.30792 HMDB03208 PFEM_hmdb_metabocards_official NA NA +HMDB02019 Phytol C20H40O 296.307922 NA HMDB2010 NA NA +HMDB03208 Thromboxane C20H40O 296.307922 NA HMDB2010 NA NA +MJ026044 Heneicosane C21H44 296.344301 NA MeJP NA NA +MJ026045 2,6,10,14-Tetramethylheptadecane C21H44 296.344301 NA MeJP NA NA +MJ026046 3,7-Dimethylnonadecane C21H44 296.344301 NA MeJP NA NA +3119 fragment of bovine beta-casein (63-68 ) PGPIPN 296.65195 MH2+ Inhouse_peptide NA peptide +MJ026047 4(7)-Bromo-2,3,7(2,3,4)-trichloro-1H-indole C8H3BrCl3N 296.851444 NA MeJP NA NA +MJ026048 Hydrochlorothiazide C7H8ClN3O4S2 296.964474 NA MeJP NA NA +HMDB01928 Hydrochlorothiazide C7H8ClN3O4S2 296.964478 NA HMDB2010 NA NA +HMDB01928 Hydrochlorothiazide C7H8ClN3O4S2 296.96448 http://www.hmdb.ca/metabolites/HMDB01928 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01928 Hydrochlorothiazide C7H8ClN3O4S2 296.96448 http://www.hmdb.ca/metabolites/HMDB01928 HMDB NA NA +HMDB01928 Hydrochlorothiazide C7H8ClN3O4S2 296.96448 http://www.hmdb.ca/metabolites/HMDB01928 PFEM_hmdb_metabocards_blood NA blood +HMDB01928 Hydrochlorothiazide C7H8ClN3O4S2 296.96448 HMDB01928 PFEM_hmdb_metabocards_official NA NA +MJ026049 Cloracetadol C10H10Cl3NO3 296.972626 NA MeJP NA NA +MJ026050 O-(4-Aminosulfonylphenyl) O,O-dimethyl phosphorothioate C8H12NO5PS2 296.98945 NA MeJP NA NA +MJ026051 Coniothyriomycin C13H12ClNO5 297.0404 NA MeJP NA NA +TEST007 L-Cysteinylglycine disulfide C8H15N3O5S2 297.0453 NA PFEM_hmdb_metabocards_urine NA urine +TEST007 L-Cysteinylglycine disulfide C8H15N3O5S2 297.0453 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +TEST007 L-Cysteinylglycine disulfide C8H15N3O5S2 297.0453 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +TEST007 L-Cysteinylglycine disulfide C8H15N3O5S2 297.0453 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +TEST007 L-Cysteinylglycine disulfide C8H15N3O5S2 297.0453 NA HMDB NA NA +TEST007 L-Cysteinylglycine disulfide C8H15N3O5S2 297.0453 NA Inhouse_PFEM NA NA +TEST007 L-Cysteinylglycine disulfide C8H15N3O5S2 297.0453 NA PFEM_hmdb_metabocards_blood NA blood +TEST007 L-Cysteinylglycine disulfide C8H15N3O5S2 297.0453 NA PFEM_hmdb_metabocards_official NA NA +HMDB00709 L-Cysteinylglycine disulfide C8H15N3O5S2 297.045319 NA HMDB2010 NA NA +HMDB00709 L-Cysteinylglycine disulfide C8H15N3O5S2 297.04532 http://www.hmdb.ca/metabolites/HMDB00709 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00709 L-Cysteinylglycine disulfide C8H15N3O5S2 297.04532 http://www.hmdb.ca/metabolites/HMDB00709 HMDB NA NA +HMDB00709 L-Cysteinylglycine disulfide C8H15N3O5S2 297.04532 NA ;SYN:1H-imidazol-4-ylacetic acid; 1H-Imidazole-4-acetic acid; 4(5)-Imidazoleacetate; 4-Imidazoleacetate; 4-Imidazoleacetic acid; IAA; IMAC; imidazol-4-ylacetic acid; Imidazole acetate; Imidazole-4-acetate; Imidazole-4-acetic acid; Imidazolyl-4-acetic acid; IZC; Lopac-I-0375H2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00709 L-Cysteinylglycine disulfide C8H15N3O5S2 297.04532 http://www.hmdb.ca/metabolites/HMDB00709 PFEM_hmdb_metabocards_blood NA blood +HMDB00709 L-Cysteinylglycine disulfide C8H15N3O5S2 297.04532 HMDB00709 PFEM_hmdb_metabocards_official NA NA +MJ026052 Palatrigine C12H13Cl2N5 297.0548 NA MeJP NA NA +MJ026053 Glybuzole C12H15N3O2S2 297.060568 NA MeJP NA NA +HMDB06788 Phosphatidyl-N-dimethylethanolamine C9H16NO8P 297.06134 http://www.hmdb.ca/metabolites/HMDB06788 HMDB NA NA +HMDB06788 Phosphatidyl-N-dimethylethanolamine C9H16NO8P 297.06134 HMDB06788 PFEM_hmdb_metabocards_official NA NA +MJ026054 Glycoprilat C13H15NO5S 297.067093 NA MeJP NA NA +C16626 Albendazole sulfone C12H15N3O4S 297.0783 NA KEGG NA NA +MJ026055 Glutamic acid, N-(4-Hydroxy-3-methoxybenzoyl) C13H15NO7 297.084851 NA MeJP NA NA +MJ026056 5'-Thioadenosine; 3'-Epimer, S-Me C11H15N5O3S 297.08956 NA MeJP NA NA +MJ026057 5'-Thioadenosine; S-Me C11H15N5O3S 297.08956 NA MeJP NA NA +MJ026058 5'-Methylthioadenosine C11H15N5O3S 297.08956 NA MeJP NA NA +MetaCyc02643 5'-methylthioformycin [5'-Mtf;D-Ribitol, 1-C-(7-amino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-5-S-methyl-5-thio-, (S)-;] C11H15N5O3S1 297.08956 NA metacyc NA NA +MetaCyc02644 5'-methylthioadenosine [methylthioadenosine;S-methyl-5'-thioadenosine;5'-S-methyl-5'-thioadenosine;MTA;S-methyl-adenosine;] C11H15N5O3S1 297.08956 2457-80-9 metacyc NA NA +HMDB01173 5'-Methylthioadenosine C11H15N5O3S 297.089569 NA HMDB2010 NA NA +HMDB01173 5'-Methylthioadenosine C11H15N5O3S 297.08957 http://www.hmdb.ca/metabolites/HMDB01173 HMDB NA NA +HMDB01173 5'-Methylthioadenosine C11H15N5O3S 297.08957 HMDB01173 PFEM_hmdb_metabocards_official NA NA +C00170 5'-Methylthioadenosine C11H15N5O3S 297.0896 NA KEGG NA NA +C00171 5'-Phosphomononucleotide C5H10O7PR 297.0896 NA KEGG NA NA +C00172 3'-Phosphooligonucleotide C10H19O16P3R2 297.0896 NA KEGG NA NA +C00173 Acyl-[acyl-carrier protein] C3H4OSR2 297.0896 NA KEGG NA NA +C00174 Acid C3H4OSR2 297.0896 NA KEGG NA NA +MJ026059 Clavaminic acid, N-(Acetylamino)acetyl C12H15N3O6 297.096085 NA MeJP NA NA +MJ026060 Teroxirone C12H15N3O6 297.096085 NA MeJP NA NA +C09569 Longifolonine C17H15NO4 297.1001 NA KEGG NA NA +MJ026061 3-(4-Hydroxy-3,5-dimethoxybenzylidene)-2-indolinone C17H15NO4 297.100107 NA MeJP NA NA +MJ026062 Annocherine A C17H15NO4 297.100107 NA MeJP NA NA +MJ026063 Assoanine; 7-Oxo, N-oxide C17H15NO4 297.100107 NA MeJP NA NA +MJ026064 Canelillinoxine C17H15NO4 297.100107 NA MeJP NA NA +MJ026065 Cularicine, N-De-Me C17H15NO4 297.100107 NA MeJP NA NA +MJ026066 Longifolonine C17H15NO4 297.100107 NA MeJP NA NA +MJ026067 Papaveroline; 6-Me ether C17H15NO4 297.100107 NA MeJP NA NA +MJ026068 Tritiozine C14H19NO4S 297.103478 NA MeJP NA NA +CJpos0706 N2-methylguanosine [(M+H)]+ C11H16N5O5 297.106775 C18rt(min)=4.52 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0706 N2-methylguanosine [(M+H)]+ C11H16N5O5 297.106775 C18rt(min)=4.52 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +C05342 Psicofuranin C11H15N5O5 297.1073 NA KEGG NA NA +MJ026069 1-Methylguanosine C11H15N5O5 297.107318 NA MeJP NA NA +MJ026070 2'-O-Methylguanosine C11H15N5O5 297.107318 NA MeJP NA NA +MJ026071 2-Methoxyadenosine C11H15N5O5 297.107318 NA MeJP NA NA +MJ026072 7-Methylguanosine C11H15N5O5 297.107318 NA MeJP NA NA +MJ026073 Doridosine C11H15N5O5 297.107318 NA MeJP NA NA +MJ026074 Guanosine; 2-N-Me C11H15N5O5 297.107318 NA MeJP NA NA +MJ026075 Nelzarabine C11H15N5O5 297.107318 NA MeJP NA NA +MJ026076 Psicofuranine C11H15N5O5 297.107318 NA MeJP NA NA +HMDB01563 1-Methylguanosine C11H15N5O5 297.10733 http://www.hmdb.ca/metabolites/HMDB01563 PFEM_hmdb_metabocards_urine NA urine +HMDB01563 1-Methylguanosine C11H15N5O5 297.10733 http://www.hmdb.ca/metabolites/HMDB01563 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01563 1-Methylguanosine C11H15N5O5 297.10733 http://www.hmdb.ca/metabolites/HMDB01563 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01563 1-Methylguanosine C11H15N5O5 297.10733 http://www.hmdb.ca/metabolites/HMDB01563 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01563 1-Methylguanosine C11H15N5O5 297.10733 http://www.hmdb.ca/metabolites/HMDB01563 HMDB NA NA +HMDB05862 2-Methylguanosine C11H15N5O5 297.10733 http://www.hmdb.ca/metabolites/HMDB05862 HMDB NA NA +HMDB06038 3'-O-Methylguanosine C11H15N5O5 297.10733 http://www.hmdb.ca/metabolites/HMDB06038 HMDB NA NA +HMDB01563 1-Methylguanosine C11H15N5O5 297.10733 http://www.hmdb.ca/metabolites/HMDB01563 PFEM_hmdb_metabocards_blood NA blood +HMDB01563 1-Methylguanosine C11H15N5O5 297.10733 HMDB01563 PFEM_hmdb_metabocards_official NA NA +HMDB05862 2-Methylguanosine C11H15N5O5 297.10733 HMDB05862 PFEM_hmdb_metabocards_official NA NA +HMDB06038 3'-O-Methylguanosine C11H15N5O5 297.10733 HMDB06038 PFEM_hmdb_metabocards_official NA NA +HMDB01563 1-Methylguanosine C11H15N5O5 297.10733 NA HMDB2010 NA NA +HMDB05862 2-Methylguanosine C11H15N5O5 297.10733 NA HMDB2010 NA NA +HMDB06038 3'-O-Methylguanosine C11H15N5O5 297.10733 NA HMDB2010 NA NA +CJneg0502 N2-methylguanosine [(M-H)]- C11H14N5O5 297.107825 C18rt(min)=4.52 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0502 N2-methylguanosine [(M-H)]- C11H14N5O5 297.107825 C18rt(min)=4.52 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ026077 4-[(6,7-Dimethoxy-4-quinazolinyl)amino]phenol C16H15N3O3 297.111341 NA MeJP NA NA +MJ026078 Duloxetine C18H19NOS 297.118734 NA MeJP NA NA +MJ026079 Tolindate C18H19NOS 297.118734 NA MeJP NA NA +MJ026080 Nordomoic acid C14H19NO6 297.121237 NA MeJP NA NA +MJ026081 Spirostaphylotrichin R C14H19NO6 297.121237 NA MeJP NA NA +MJ026082 Spirostaphylotrichin S C14H19NO6 297.121237 NA MeJP NA NA +HMDB10323 Phenethylamine glucuronide C14H19NO6 297.121246 NA HMDB2010 NA NA +MJ026083 1-(5-Quinolinyl)-?-carboline; 3,4-Dihydro C20H15N3 297.126597 NA MeJP NA NA +MJ026084 1-(8-Quinolinyl)-?-carboline; 3,4-Dihydro C20H15N3 297.126597 NA MeJP NA NA +MJ026085 Losindole C19H20ClN 297.128427 NA MeJP NA NA +MJ026086 Tazomeline C14H23N3S2 297.133339 NA MeJP NA NA +3088 gluten B5 exorphin YGGWL 297.134 MH2+ Inhouse_peptide NA peptide +MJ026087 1,2,10-Trimethoxyaporphine, O1,N-Di-de-Me C18H19NO3 297.136493 NA MeJP NA NA +MJ026088 1,2,10-Trimethoxyaporphine, O1,O10-Di-de-Me C18H19NO3 297.136493 NA MeJP NA NA +MJ026089 1,2,10-Trimethoxyaporphine, O10,N-Di-de-Me C18H19NO3 297.136493 NA MeJP NA NA +MJ026090 1,2,10-Trimethoxyaporphine, O1,O10-Di-de-Me C18H19NO3 297.136493 NA MeJP NA NA +MJ026091 1-Piperettylpyrrolidine C18H19NO3 297.136493 NA MeJP NA NA +MJ026092 3,6-Dihydroxy-4,5-diphenyl-2-piperidinone; N-Me C18H19NO3 297.136493 NA MeJP NA NA +MJ026093 3-Hydroxynuciferine, N-De-Me C18H19NO3 297.136493 NA MeJP NA NA +MJ026094 7-Hydroxy-4-methoxy-8-prenylfuro[2,3-b]quinoline; Me ether C18H19NO3 297.136493 NA MeJP NA NA +MJ026095 Aegeline C18H19NO3 297.136493 NA MeJP NA NA +MJ026096 Cinnamolaurine C18H19NO3 297.136493 NA MeJP NA NA +MJ026097 Clausenamide C18H19NO3 297.136493 NA MeJP NA NA +MJ026098 Coccudienone C18H19NO3 297.136493 NA MeJP NA NA +MJ026099 Coccuvine; Natural-form, 15-Deoxy, 16-methoxy, 8-oxo C18H19NO3 297.136493 NA MeJP NA NA +MJ026100 Coccuvine; Natural-form, Me ether, 8-oxo C18H19NO3 297.136493 NA MeJP NA NA +MJ026101 Codeinone C18H19NO3 297.136493 NA MeJP NA NA +MJ026102 Crotonosine, Me ether C18H19NO3 297.136493 NA MeJP NA NA +MJ026103 Crotonosine, N-Me C18H19NO3 297.136493 NA MeJP NA NA +MJ026104 Crotsparine; N-Me C18H19NO3 297.136493 NA MeJP NA NA +MJ026105 Dihydroxygirinimbine C18H19NO3 297.136493 NA MeJP NA NA +MJ026106 Diolmycin A1 C18H19NO3 297.136493 NA MeJP NA NA +MJ026107 Erysotramidine, 15- or 16-Demethoxy C18H19NO3 297.136493 NA MeJP NA NA +MJ026108 Erysotrine, 10,11-Didehydro, O15-de-Me C18H19NO3 297.136493 NA MeJP NA NA +MJ026109 Erysotrine, 10,11-Didehydro,O16-de-Me C18H19NO3 297.136493 NA MeJP NA NA +MJ026110 Erythraline C18H19NO3 297.136493 NA MeJP NA NA +MJ026111 Glaziovine C18H19NO3 297.136493 NA MeJP NA NA +MJ026112 Isopiline C18H19NO3 297.136493 NA MeJP NA NA +MJ026113 Isothebaidine C18H19NO3 297.136493 NA MeJP NA NA +MJ026114 Liridinine; N-De-Me C18H19NO3 297.136493 NA MeJP NA NA +MJ026115 Manibacanine, O2-De-Me C18H19NO3 297.136493 NA MeJP NA NA +MJ026116 Orientine, O',N-Di-de-Me C18H19NO3 297.136493 NA MeJP NA NA +MJ026117 Oripavine C18H19NO3 297.136493 NA MeJP NA NA +MJ026118 Pachyconfine C18H19NO3 297.136493 NA MeJP NA NA +MJ026119 Pseudomanibacanine, O2-De-Me C18H19NO3 297.136493 NA MeJP NA NA +MJ026120 Roemeramine; 10-Ketone C18H19NO3 297.136493 NA MeJP NA NA +MJ026121 Viguine C18H19NO3 297.136493 NA MeJP NA NA +MJ026122 7,8-Didehydro-4,5-epoxy-3-methoxy-17-methoxy-(5_)-morphinan-6-one C18H19NO3 297.136493 NA MeJP NA NA +MJ026123 Neopinone C18H19NO3 297.136493 NA MeJP NA NA +MJ026124 Oripavine C18H19NO3 297.136493 NA MeJP NA NA +MetaCyc02645 oripavine [] C18H19N1O3 297.136493 NA metacyc NA NA +MetaCyc02646 neopinone [] C18H19N1O3 297.136493 NA metacyc NA NA +MetaCyc02647 codeinone [] C18H19N1O3 297.136493 NA metacyc NA NA +C06171 Codeinone C18H19NO3 297.1365 NA KEGG NA NA +C06172 Neopinone C18H19NO3 297.1365 NA KEGG NA NA +C06175 Oripavine C18H19NO3 297.1365 NA KEGG NA NA +C09340 (-)-Apoglaziovine C18H19NO3 297.1365 NA KEGG NA NA +C09457 Glaziovine C18H19NO3 297.1365 NA KEGG NA NA +C15087 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime C18H19NO3 297.1365 NA KEGG NA NA +C17077 Tuduranine C18H19NO3 297.1365 NA KEGG NA NA +PJ000205 AAH C12H19N5O4 297.1437 NA PeJP NA NA +C11484 GA C17H19N3O2 297.1477 NA KEGG NA NA +3165 laminin-like peptide YIGSR 297.1505 MH2+ Inhouse_peptide NA peptide +3427 NA YIGSR 297.1505 MH2+ Inhouse_peptide NA peptide +MJ026125 11-[3-(Dimethylamino)propyl]-6,11-dihydrodibenzo[b,e]thiepine C19H23NS 297.15512 NA MeJP NA NA +MJ026126 2-Amino-4-(3,4,5-trihydroxyphenyl)butanoic acid; 3',5'-Di-Me ether, N-tri-Me, betaine C15H23NO5 297.157622 NA MeJP NA NA +MJ026127 4-(2-Aminoethyl)phenol; N-Me, O-?-L-rhamnopyranoside C15H23NO5 297.157622 NA MeJP NA NA +MJ026128 4-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-2,6-piperidinedione, 3R-Hydroxy C15H23NO5 297.157622 NA MeJP NA NA +MJ026129 4-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-2,6-piperidinedione, 4?-Hydroxy C15H23NO5 297.157622 NA MeJP NA NA +MJ026130 4-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-2,6-piperidinedione, 5R-Hydroxy C15H23NO5 297.157622 NA MeJP NA NA +MJ026131 Austrodimerine C15H23NO5 297.157622 NA MeJP NA NA +MJ026132 Callimorphine C15H23NO5 297.157622 NA MeJP NA NA +MJ026133 Streptovitacin D C15H23NO5 297.157622 NA MeJP NA NA +MJ026134 Pipofezine C16H19N5O 297.15896 NA MeJP NA NA +MJ026135 Atanine; O-De-Me, O-(3-methyl-2-butenyl) C19H23NO2 297.172878 NA MeJP NA NA +MJ026136 Buchapine C19H23NO2 297.172878 NA MeJP NA NA +MJ026137 Cuspareine, 3'-O-De-Me C19H23NO2 297.172878 NA MeJP NA NA +MJ026138 Elucaine C19H23NO2 297.172878 NA MeJP NA NA +MJ026139 Haplofoline; N-(3-Methyl-2-butenyl) C19H23NO2 297.172878 NA MeJP NA NA +MJ026140 Ibuprofen, 2-Pyridinylmethyl ester C19H23NO2 297.172878 NA MeJP NA NA +MJ026141 Minamestane C19H23NO2 297.172878 NA MeJP NA NA +MJ026142 Trepipam C19H23NO2 297.172878 NA MeJP NA NA +MJ026143 Diphthine; 1'-Amide C13H23N5O3 297.180089 NA MeJP NA NA +2621 synthetic fr,of human beta-CN (72-77) ACE inhibitor PAVVLP 297.1805 MH2+ Inhouse_peptide NA peptide +MJ026144 Acetergamine C18H23N3O 297.184112 NA MeJP NA NA +MJ026145 Atolide C18H23N3O 297.184112 NA MeJP NA NA +MJ026146 Vamicamide C18H23N3O 297.184112 NA MeJP NA NA +C11840 N-(3-Oxododecanoyl)homoserine lactone C16H27NO4 297.194 NA KEGG NA NA +MJ026147 Amabiline; 3'-Epimer, O3'-Me C16H27NO4 297.194008 NA MeJP NA NA +MJ026148 Curassavine; 1,2-Didehydro C16H27NO4 297.194008 NA MeJP NA NA +MJ026149 Guafecainol C16H27NO4 297.194008 NA MeJP NA NA +MJ026150 Valperinol C16H27NO4 297.194008 NA MeJP NA NA +MJ026151 2,7-Hexadecadien-10-ynoic acid, Pyrrolide C20H27NO 297.209264 NA MeJP NA NA +MJ026152 2-Undecyl-4(1H)-quinolinone; 3',4'-Didehydro C20H27NO 297.209264 NA MeJP NA NA +MJ026153 Sanyonamine; 2-Deoxy C20H27NO 297.209264 NA MeJP NA NA +MJ026154 Spirasine XI C20H27NO 297.209264 NA MeJP NA NA +MJ026155 Treptilamine C20H27NO 297.209264 NA MeJP NA NA +MJ026156 1-Amino-4-tridecen-2-ol, N,O-Di-Ac C17H31NO3 297.230393 NA MeJP NA NA +MJ026157 3-Formamido-8-bisabolene-7,10-diol; 7-Me ether C17H31NO3 297.230393 NA MeJP NA NA +MJ026158 7-Isocyano-1(14),15-neoamphilectadiene C21H31N 297.245649 NA MeJP NA NA +MJ026159 7-Isocyano-1-cycloamphilectene C21H31N 297.245649 NA MeJP NA NA +MJ026160 7-Isocyano-10,14-amphilectadiene C21H31N 297.245649 NA MeJP NA NA +MJ026161 7-Isocyano-10-cycloamphilectene C21H31N 297.245649 NA MeJP NA NA +MJ026162 7-Isocyano-11(20),14-epiamphilectadiene C21H31N 297.245649 NA MeJP NA NA +MJ026163 7-Isocyano-11(20),15-amphilectadiene C21H31N 297.245649 NA MeJP NA NA +MJ026164 7-Isocyano-11,15-neoamphilectadiene C21H31N 297.245649 NA MeJP NA NA +MJ026165 7-Isocyano-11-cycloamphilectene C21H31N 297.245649 NA MeJP NA NA +MJ026166 7-Isocyano-14-isocycloamphilectene C21H31N 297.245649 NA MeJP NA NA +MJ026167 8-Isocyano-1(12)-cycloamphilectene C21H31N 297.245649 NA MeJP NA NA +MJ026168 8-Isocyano-10,14-amphilectadiene C21H31N 297.245649 NA MeJP NA NA +MJ026169 8-Isocyano-10-cycloamphilectene C21H31N 297.245649 NA MeJP NA NA +MJ026170 Isoquinoline; N-Dodecyl C21H32N(+) 297.24565 NA MeJP NA NA +MJ026171 Cassine C18H35NO2 297.266779 NA MeJP NA NA +MJ026172 Isomylamine C18H35NO2 297.266779 NA MeJP NA NA +MJ026173 Prosafrine, 10'-Ketone C18H35NO2 297.266779 NA MeJP NA NA +MJ026174 3-Ketosphingosine C18H35NO2 297.266779 NA MeJP NA NA +C06121 3-Ketosphingosine C18H35NO2 297.2668 NA KEGG NA NA +C10136 Cassine C18H35NO2 297.2668 NA KEGG NA NA +C11124 Spiroxamine C18H35NO2 297.2668 NA KEGG NA NA +HMDB01334 Tridemorph C19H39NO 297.30316 http://www.hmdb.ca/metabolites/HMDB01334 HMDB NA NA +HMDB01334 Tridemorph C19H39NO 297.30316 HMDB01334 PFEM_hmdb_metabocards_official NA NA +MetaCyc02648 2,6-dimethyl-4-tridecyl-morpholine [tridemorph;4-tridecyl-2,6-dimethylmorpholine;kalixin;calixine;kalinin;morpholine, 2,6-dimethyl-4-tridecyl-;morpholine, 2,6-dimethyl-N-tridecyl-;] C19H39N1O1 297.303165 NA metacyc NA NA +C11285 Tridemorph C19H39NO 297.3032 NA KEGG NA NA +MJ026175 Motuporamine A C18H39N3 297.314398 NA MeJP NA NA +MJ026176 Octadecylamine; N,N-Di-Me C20H43N 297.33955 NA MeJP NA NA +EUR304 Glutathione oxidized F6 F6 297.562175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR304 Gluthation oxyde F6 NA 297.562175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR304 Glutathione oxidized F6 F6 297.562175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR304 Gluthation oxyde F6 NA 297.562175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR304 Glutathione oxidized F6 F6 297.562175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR304 Gluthation oxyde F6 NA 297.562175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR304 Glutathione oxidized F6 F6 297.562175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR304 Glutathione oxidized F6 F6 297.562175 standards wishlist analysés sur QTOF HMDB NA NA +EUR304 Glutathione oxidized F6 F6 297.562175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR304 Gluthation oxyde F6 NA 297.562175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR304 Glutathione oxidized F6 F6 297.562175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR304 Glutathione oxidized F6 F6 297.562175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +2625 synthetic fr,of human beta-CN (59-63) ACE inhibitor YGFLP 297.644 MH2+ Inhouse_peptide NA peptide +2866 NA YGFLP 297.644 MH2+ Inhouse_peptide NA peptide +MJ026177 Dibromoiodomethane CHBr2I 297.748968 NA MeJP NA NA +MJ026178 Bis(trichloromethyl) sulfide; S,S-Dioxide C2Cl6O2S 297.775016 NA MeJP NA NA +MJ026179 (1-Acetoxy-2,2,2-trichloroethyl)phosphonic acid; Di-Me ester C6H10Cl3O5P 297.933143 NA MeJP NA NA +C07695 Sodium nitroprusside dihydrate C5FeN6O 297.949 NA KEGG NA NA +C07696 Transferred to D00615 C5FeN6O 297.949 NA KEGG NA NA +C07697 Transferred to D00616 C5FeN6O 297.949 NA KEGG NA NA +C07698 Transferred to D00617 C5FeN6O 297.949 NA KEGG NA NA +MJ026180 5-Bromo-4-chloro-1-chloroethenyl-2,4-dimethylcyclohexene; 1?,2?-Epoxide C10H13BrCl2O 297.952683 NA MeJP NA NA +MJ026181 Allocupreide C11H11CuN2O2S 297.983724 NA MeJP NA NA +MJ026182 Pantopyranoid B C10H16BrClO3 297.997134 NA MeJP NA NA +MetaCyc02649 herbicide 14A [] C7H12N2O7P2 298.011974 NA metacyc NA NA +MJ026183 5,7-Dihydroxy-6-oxo-6H-anthra[1,9-bc]thiophene-1-carboxylic acid; 11-Alcohol C16H10O4S 298.029979 NA MeJP NA NA +C07995 Magnesium salicylate C14H10MgO6 298.0328 NA KEGG NA NA +C10202 Bowdichione C16H10O6 298.0477 NA KEGG NA NA +C10467 Irilone C16H10O6 298.0477 NA KEGG NA NA +C16226 2',7-Dihydroxy-4',5'-methylenedioxyisoflavone C16H10O6 298.0477 NA KEGG NA NA +FL3FEANS0010 Kanzakiflavone 2 C16H10O6 298.04773 60948-17-6 knapsack NA NA +FL5FPTNS0005 Peltogynin;2,3,10-Trihydroxy-[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one C16H10O6 298.04773 17093-85-5 knapsack NA NA +FL5FPTNS0006 Mopanin;3,4,10-Trihydroxy-[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one;Mopanine C16H10O6 298.04773 17093-84-4 knapsack NA NA +FLIA1LNS0002 2-Hydroxypseudobaptigenin C16H10O6 298.04773 - knapsack NA NA +FLIA1LNS0005 Glyzaglabrin;7,2'-Dihydroxy-3',4'-methylenedioxyisoflavone C16H10O6 298.04773 65242-64-0 knapsack NA NA +FLIAACNS0002 5-Hydroxypseudobaptigenin C16H10O6 298.04773 40624-03-1 knapsack NA NA +FLIAE8NS0006 Irisone B;5,2'-Dihydroxy-6,7-methylenedioxyisoflavone C16H10O6 298.04773 97359-75-6 knapsack NA NA +FLIAEANS0001 Irilone;5,4'-Dihydroxy-6,7-methylenedioxyisoflavone C16H10O6 298.04773 41653-81-0 knapsack NA NA +FLICQUNS0001 Bowdichione C16H10O6 298.04773 53774-75-7 knapsack NA NA +FLIE1CNS0002 8-Methoxycoumestrol;3'-Methoxycoumestrol;7,12-Dihydroxy-11-methoxycoumestan C16H10O6 298.04773 13360-66-2 knapsack NA NA +FLIE1LNS0002 Trifoliol;3,7-Dihydroxy-9-methoxycoumestan;7,10-Dihydroxy-12-methoxycoumestan C16H10O6 298.04773 1857-26-7 knapsack NA NA +FLIE3ANS0001 Sativol;4,9-Dihydroxy-3-methoxycoumestan;8,12-Dihydroxy-7-methoxycoumestan C16H10O6 298.04773 7331-58-0 knapsack NA NA +FLIH1LNS0002 7,2'-Dihydroxy-4',5'-methylenedioxy-3-phenylcoumarin C16H10O6 298.04773 54300-96-8 knapsack NA NA +FLNARNNS0001 4',5'-Dihydroxy-7-methoxy-5,2'-oxido-4-phenylcoumarin C16H10O6 298.04773 89783-74-4 knapsack NA NA +MJ026184 1,2,3-Trihydroxyanthraquinone; 2-Ac C16H10O6 298.047738 NA MeJP NA NA +MJ026185 1,3,5-Trihydroxyanthraquinone-2-carboxaldehyde; 1-Me ether C16H10O6 298.047738 NA MeJP NA NA +MJ026186 1,3,9-Trihydroxycoumestan; 1-Me ether C16H10O6 298.047738 NA MeJP NA NA +MJ026187 1,3-Dihydroxyanthraquinone-2-carboxylic acid; 1-Me ether C16H10O6 298.047738 NA MeJP NA NA +MJ026188 1,3-Dihydroxyanthraquinone-2-carboxylic acid; Me ester C16H10O6 298.047738 NA MeJP NA NA +MJ026189 2',3',4',7-Tetrahydroxyisoflavone; 3',4'-Methylene ether C16H10O6 298.047738 NA MeJP NA NA +MJ026190 2',5,6,7-Tetrahydroxyisoflavone; 6,7-Methylene ether C16H10O6 298.047738 NA MeJP NA NA +MJ026191 2,3,9-Trihydroxycoumestan; 2-Me ether C16H10O6 298.047738 NA MeJP NA NA +MJ026192 2,3,9-Trihydroxycoumestan; 9-Me ether C16H10O6 298.047738 NA MeJP NA NA +MJ026193 3',4',5,7-Tetrahydroxyisoflavone; 3',4'-Methylene ether C16H10O6 298.047738 NA MeJP NA NA +MJ026194 3,4,9-Trihydroxycoumestan; 3-Me ether C16H10O6 298.047738 NA MeJP NA NA +MJ026195 3,7,9-Trihydroxycoumestan; 9-Me ether C16H10O6 298.047738 NA MeJP NA NA +MJ026196 3,8,9-Trihydroxycoumestan; 9-Me ether C16H10O6 298.047738 NA MeJP NA NA +MJ026197 3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid C16H10O6 298.047738 NA MeJP NA NA +MJ026198 4',5-Dihydroxy-6,7-methylenedioxyflavone C16H10O6 298.047738 NA MeJP NA NA +MJ026199 4',5-Dihydroxy-6,7-methylenedioxyisoflavone C16H10O6 298.047738 NA MeJP NA NA +MJ026200 5,7-Dihydroxy-3',4'-methylenedioxyflavone C16H10O6 298.047738 NA MeJP NA NA +MJ026201 5,9,10-Trihydroxy-2H-pyrano[2,3,4-kl]xanthen-2-one; 7-Me ether C16H10O6 298.047738 NA MeJP NA NA +MJ026202 7-Hydroxy-3-(2,4,5-trihydroxyphenyl)-2H-1-benzopyran-2-one; 4',5'-Methylene ether C16H10O6 298.047738 NA MeJP NA NA +MJ026203 Aflatoxin B1, O-De-Me C16H10O6 298.047738 NA MeJP NA NA +MJ026204 Ayamenin B; 2-Methoxy C16H10O6 298.047738 NA MeJP NA NA +MJ026205 Bowdichione C16H10O6 298.047738 NA MeJP NA NA +MJ026206 Coccineone B C16H10O6 298.047738 NA MeJP NA NA +MJ026207 Desmoxyphyllin B C16H10O6 298.047738 NA MeJP NA NA +MJ026208 Fallacinal C16H10O6 298.047738 NA MeJP NA NA +MJ026209 Mopanin C16H10O6 298.047738 NA MeJP NA NA +MJ026210 Peltogynin C16H10O6 298.047738 NA MeJP NA NA +MetaCyc02650 2'-hydroxypseudobaptigenin [2',7-dihydroxy-3',4'-methylenedioxyisoflavone;DMI;] C16H10O6 298.047738 NA metacyc NA NA +MJ026211 Phoxim C12H15N2O3PS 298.054099 NA MeJP NA NA +C11030 Quinalphos C12H15N2O3PS 298.0541 NA KEGG NA NA +MJ026212 Glyprothiazol C11H14N4O2S2 298.055817 NA MeJP NA NA +MJ026213 Nestifylline C11H14N4O2S2 298.055817 NA MeJP NA NA +MJ026214 10-Bromo-9-hydroxy-15-nor-1,7(14)-chamigradien-3-one C14H19BrO2 298.056842 NA MeJP NA NA +MJ026215 2-Amino-3-oxo-3H-phenoxazine-8-carboxylic acid; N2-Ac C15H10N2O5 298.058971 NA MeJP NA NA +MJ026216 2-Hydroxy-1,6-phenazinedicarboxylic acid; 1'-Me ester C15H10N2O5 298.058971 NA MeJP NA NA +MJ026217 Mikrolin C14H15ClO5 298.060801 NA MeJP NA NA +MJ026218 Zaltoprofen C17H14O3S 298.066365 NA MeJP NA NA +MJ026219 2,3,4-Trihydroxybutanoic acid, 4-O-(3,4-Dihydroxycinnamoyl) C13H14O8 298.068867 NA MeJP NA NA +HMDB10324 Benzoyl glucuronide (Benzoic acid) C13H14O8 298.068878 NA HMDB2010 NA NA +C00994 D-Prephenyllactate C13H14O8 298.0689 NA KEGG NA NA +C00995 Ferricytochrome b1 C13H14O8 298.0689 NA KEGG NA NA +C00996 Ferricytochrome b5 C13H14O8 298.0689 NA KEGG NA NA +C00997 Ferricytochrome c2 C13H14O8 298.0689 NA KEGG NA NA +C00998 Ferrocytochrome b1 C13H14O8 298.0689 NA KEGG NA NA +C00999 Ferrocytochrome b5 C13H14O8 298.0689 NA KEGG NA NA +C01000 Ferrocytochrome c2 C13H14O8 298.0689 NA KEGG NA NA +MJ026220 Cycloclinacoside A1 C10H18O8S 298.072238 NA MeJP NA NA +MJ026221 6-Thioinosine; S-Me C11H14N4O4S 298.073575 NA MeJP NA NA +C14525 Mefenacet C16H14N2O2S 298.0776 NA KEGG NA NA +MJ026222 1,2-Dithiolo[4,3-b]pyrrol-5(4H)-one; N6-(5-Methylhexanoyl), N4-Me C13H18N2O2S2 298.080969 NA MeJP NA NA +C10019 Apigenin 7,4'-dimethyl ether C17H14O5 298.0841 NA KEGG NA NA +C10199 Afrormosin C17H14O5 298.0841 NA KEGG NA NA +C10527 Sayanedine C17H14O5 298.0841 NA KEGG NA NA +FL1C1ANM0001 Isoneobavachalcone C17H14O5 298.08412 76444-57-0 knapsack NA NA +FL1C1ANM0002 Neobavachalcone C17H14O5 298.08412 65621-10-5 knapsack NA NA +FL2FA9NM0008 Lawinal C17H14O5 298.08412 55743-09-4 knapsack NA NA +FL3F1CNS0003 Tithonine C17H14O5 298.08412 30867-08-4 knapsack NA NA +FL3F1CNS0007 7-Hydroxy-3',4'-dimethoxyflavone;2-(3,4-Dimethoxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one C17H14O5 298.08412 33513-36-9 knapsack NA NA +FL3F98NS0006 5-Hydroxy-6,2'-dimethoxyflavone C17H14O5 298.08412 16266-96-9 knapsack NA NA +FL3FA8NS0005 5-Hydroxy-7,2'-dimethoxyflavone C17H14O5 298.08412 - knapsack NA NA +FL3FAANM0002 6,8-Dimethylapigenin;Syzalterin;5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-1-benzopyran-4-one C17H14O5 298.08412 94451-48-6 knapsack NA NA +FL3FCANM0002 8-Demethylsideroxylin;5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-methyl-4H-1-benzopyran-4-one C17H14O5 298.08412 80621-54-1 knapsack NA NA +FL3FCBNS0001 Apigenin 7,4'-dimethyl ether;5-Hydroxy-4',7-dimethoxyflavone;Genkwanin 4'-methyl ether;7-O-Methylacacetin;Acacetin 7-methyl ether;5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C17H14O5 298.08412 5128-44-9 knapsack NA NA +FL3FE9NS0004 Baicalein 5,6-dimethyl ether;7-Hydroxy-5,6-Dimethoxyflavone C17H14O5 298.08412 04/05/2035 knapsack NA NA +FL3FE9NS0005 Mosloflavone;5-Hydroxy-6,7-Dimethoxyflavone C17H14O5 298.08412 740-33-0 knapsack NA NA +FL3FF9NS0003 Norwogonin 5,8-dimethyl ether;7-Hydroxy-5,8-Dimethoxyflavone C17H14O5 298.08412 3316-54-9 knapsack NA NA +FL3FF9NS0004 7-O-Methylwogonin;7-O-Methylwogonine;Moslosooflavone;5-Hydroxy-7,8-dimethoxyflavone C17H14O5 298.08412 3570-62-5 knapsack NA NA +FL5FA9NM0002 5,7-Dihydroxy-3-methoxy-8-methylflavone C17H14O5 298.08412 93322-39-5 knapsack NA NA +FL5FA9NM0003 3,5-Dihydroxy-7-methoxy-8-methylflavone C17H14O5 298.08412 97208-77-0 knapsack NA NA +FL5FA9NM0004 3,5,7-Trihydroxy-6,8-dimethylflavone C17H14O5 298.08412 97208-72-5 knapsack NA NA +FL5FA9NS0006 Galangin 3,7-dimethyl ether;3,7-Dimethoxy-5-hydroxyflavone;3,7-Dimethylgalangin;5-Hydroxy-3,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one C17H14O5 298.08412 70786-48-0 knapsack NA NA +FL5FA9NS0007 Galangin 5,7-dimethyl ether C17H14O5 298.08412 15236-07-4 knapsack NA NA +FLIA1CNS0002 Sayanedine C17H14O5 298.08412 30564-92-2 knapsack NA NA +FLIA1CNS0007 Cladrin;7-Hydroxy-3',4'-dimethoxyisoflavone C17H14O5 298.08412 24160-14-3 knapsack NA NA +FLIA2ANS0001 Afrormosin;Afromosin;Castanin C17H14O5 298.08412 550-79-8 knapsack NA NA +FLIA2ANS0006 Alfalone;6-Hydroxy-7,4'-dimethoxyisoflavone C17H14O5 298.08412 970-48-9 knapsack NA NA +FLIA3ANS0002 8-O-Methylretusin C17H14O5 298.08412 37816-20-9 knapsack NA NA +FLIABBNS0001 5-O-Methylbiochanin A C17H14O5 298.08412 68939-22-0 knapsack NA NA +FLID1CNS0004 Pterocarpin;3-Methoxy-8,9-methylenedioxypterocarpan C17H14O5 298.08412 524-97-0 knapsack NA NA +FLNA49NS0001 Kuhlmannin;6-Hydroxy-7,8-dimethoxy-4-phenylcoumarin C17H14O5 298.08412 20972-79-6 knapsack NA NA +FLNADANS0001 4'-Hydroxy-5,7-dimethoxy-4-phenylcoumarin C17H14O5 298.08412 88126-44-7 knapsack NA NA +MJ026223 1,2,3-Trihydroxy-7-methylanthraquinone; 1,3-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026224 1,2,5,6,7-Phenanthrenepentol; 5,6-Methylene ether, 1,7-di-Me C17H14O5 298.084123 NA MeJP NA NA +MJ026225 1,2,6-Trihydroxy-3-methylanthraquinone; 1,6-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026226 1,2,8-Trihydroxy-3-methylanthraquinone; 1,2-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026227 1,3,4-Trihydroxy-2,7-phenanthraquinone; Tri-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026228 1,3,6-Trihydroxy-7-methylanthraquinone; 1,3-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026229 1,3,6-Trihydroxy-8-propylanthraquinone C17H14O5 298.084123 NA MeJP NA NA +MJ026230 1,3,8-Trihydroxy-2,6-dimethylanthraquinone; 3-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026231 1,3,8-Trihydroxy-2-methylanthraquinone; 3,8-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026232 1,3,8-Trihydroxy-6-methylanthraquinone; 1,3-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026233 1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1'-Et ether C17H14O5 298.084123 NA MeJP NA NA +MJ026234 1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1,1'-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026235 1,4-Dihydroxy-2-hydroxymethylanthraquinone; 1'-Et ether C17H14O5 298.084123 NA MeJP NA NA +MJ026236 1,5,8-Trihydroxy-2,3-dimethylanthraquinone; 8-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026237 1,6,7-Trihydroxy-2-methylanthraquinone; 6,7-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026238 1,6,8-Trihydroxy-3-propylanthraquinone C17H14O5 298.084123 NA MeJP NA NA +MJ026239 2',4',5',7-Tetrahydroxyisoflavene; 2'-Me, 4',5'-methylene ether C17H14O5 298.084123 NA MeJP NA NA +MJ026240 2',4',7-Trihydroxyisoflavone; 2',4'-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026241 2',4',7-Trihydroxyisoflavone; 4',7-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026242 2',5,6-Trihydroxyflavone; 2',6-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026243 2',5,7-Trihydroxy-6-methylisoflavone; 2'-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026244 2,3,4,7,8-Phenanthrenepentol; 2,4-Di-Me, 7,8-methylene ether C17H14O5 298.084123 NA MeJP NA NA +MJ026245 2,4,7-Trihydroxyphenanthraquinone; Tri-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026246 2,5,7-Trihydroxyisoflavone; 2,7-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026247 2-(2,4-Dihydroxyphenyl)-6-hydroxy-3-benzofurancarboxylic acid; Aldehyde, 4',6-di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026248 2-(2-Hydroxy-4-methoxyphenyl)-3-methyl-5,6-methylenedioxybenzofuran C17H14O5 298.084123 NA MeJP NA NA +MJ026249 2-Formyl-3,9-dihydroxypterocarpan; 3-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026250 3',4',7-Trihydroxyflavone; 3',4'-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026251 3',4',7-Trihydroxyflavone; 4',7-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026252 3',4',7-Trihydroxyisoflavone; 3',4'-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026253 3',4',7-Trihydroxyisoflavone; 3',7-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026254 3,4',7-Trihydroxyflavone; 3,7-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026255 3,5,7-Trihydroxy-6,8-dimethylflavone C17H14O5 298.084123 NA MeJP NA NA +MJ026256 3,5,7-Trihydroxy-8-methylflavone; 3-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026257 3,5,7-Trihydroxy-8-methylflavone; 7-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026258 3,5,7-Trihydroxyflavone; 3,7-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026259 3,5,7-Trihydroxyflavone; 5,7-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026260 3,6,7-Trihydroxy-4-phenyl-2H-1-benzopyran-2-one; 6,7-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026261 3,6,7-Trimethoxy-1,4-phenanthraquinone C17H14O5 298.084123 NA MeJP NA NA +MJ026262 4',5,6,7-Tetrahydroxyflavylium(1+); 4',5-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026263 4',5,7-Trihydroxy-6,8-dimethylflavone C17H14O5 298.084123 NA MeJP NA NA +MJ026264 4',5,7-Trihydroxy-6-methylflavone; 7-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026265 4',5,7-Trihydroxyisoflavone; 4',5-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026266 4',5,7-Trihydroxyisoflavone; 4',7-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026267 4',6,7-Trihydroxyisoflavone; 4',6-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026268 4',6,7-Trihydroxyisoflavone; 4',7-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026269 4',7,8-Trihydroxyisoflavone; 4',8-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026270 5,6,7-Trihydroxyflavone; 5,6-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026271 5,6,7-Trihydroxyflavone; 6,7-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026272 5,7,8-Trihydroxyflavone; 5,8-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026273 5,7,8-Trihydroxyflavone; 7,8-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026274 5,7-Dihydroxy-3-(4-hydroxybenzyl)-6-methylchromone C17H14O5 298.084123 NA MeJP NA NA +MJ026275 5,7-Dihydroxy-3-(4-methoxybenzyl)-8-methyl-4-chromone C17H14O5 298.084123 NA MeJP NA NA +MJ026276 5-Hydroxy-4',7-dimethoxyflavone C17H14O5 298.084123 NA MeJP NA NA +MJ026277 6,7,8-Trihydroxy-3-phenyl-1H-2-benzopyran-1-one; 6,7-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026278 6,7,8-Trihydroxy-4-phenylcoumarin; 7,8-Di-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026279 6-(1-Methylethoxy)-9-oxo-9H-xanthene-2-carboxylic acid C17H14O5 298.084123 NA MeJP NA NA +MJ026280 Eucomin, 4'-O-De-Me, 7-Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026281 Eucomin C17H14O5 298.084123 NA MeJP NA NA +MJ026282 Intricatinol C17H14O5 298.084123 NA MeJP NA NA +MJ026283 Involutin; 3'-Deoxy C17H14O5 298.084123 NA MeJP NA NA +MJ026284 Lawinal C17H14O5 298.084123 NA MeJP NA NA +MJ026285 Maackiain, Me ether C17H14O5 298.084123 NA MeJP NA NA +MJ026286 Neobavachalcone C17H14O5 298.084123 NA MeJP NA NA +MJ026287 Ononin C17H14O5 298.084123 NA MeJP NA NA +MJ026288 Ornatipolide C17H14O5 298.084123 NA MeJP NA NA +MJ026289 Puerol A C17H14O5 298.084123 NA MeJP NA NA +MJ026290 Sissoidenone C17H14O5 298.084123 NA MeJP NA NA +MJ026291 Trichoflectin C17H14O5 298.084123 NA MeJP NA NA +MJ026292 Xanoxic acid C17H14O5 298.084123 NA MeJP NA NA +MetaCyc02651 afrormosin [7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-chromen-4-one;afromosin;] C17H14O5 298.084124 NA metacyc NA NA +MJ026293 Ciclazindol C17H15ClN2O 298.08729 NA MeJP NA NA +MJ026294 10-Bromo-1,3,7(14)-chamigratrien-9-ol; 1,2-Dihydro,10-epimer C15H23BrO 298.093228 NA MeJP NA NA +MJ026295 10-Bromo-2,3-epoxy-7-chamigrene C15H23BrO 298.093228 NA MeJP NA NA +MJ026296 10-Bromo-2,7-chamigradien-9-ol C15H23BrO 298.093228 NA MeJP NA NA +MJ026297 10-Bromo-2-chloro-2,7(14)-chamigradien-9-ol; Dechloro C15H23BrO 298.093228 NA MeJP NA NA +MJ026298 10-Bromo-7-chamigren-2-one C15H23BrO 298.093228 NA MeJP NA NA +MJ026299 Palisol C15H23BrO 298.093228 NA MeJP NA NA +MJ026300 Spirolaurenone C15H23BrO 298.093228 NA MeJP NA NA +MJ026301 1,6-Phenazinedicarboxylic acid; 5,10-Dihydro, di-Me ester C16H14N2O4 298.095356 NA MeJP NA NA +MJ026302 Amlexanox C16H14N2O4 298.095356 NA MeJP NA NA +MJ026303 Nybomycin C16H14N2O4 298.095356 NA MeJP NA NA +MJ026304 Vertilecanine A, 7-Ketone, glycine amide, Me ester C16H14N2O4 298.095356 NA MeJP NA NA +MJ026305 13-Chloro-11-hydroxy-3-oxo-10(14)-guaien-12,6-olide C15H19ClO4 298.097186 NA MeJP NA NA +MJ026306 3,11,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide, 13-Deoxy, 13-chloro C15H19ClO4 298.097186 NA MeJP NA NA +MJ026307 Illicinone E; 12-Deoxy, 12-chloro C15H19ClO4 298.097186 NA MeJP NA NA +C17370 PS-5 C13H18N2O4S 298.0987 NA KEGG NA NA +MJ026308 Antibiotic NS 5; N-Ac C13H18N2O4S 298.098727 NA MeJP NA NA +C01961 Thalassemine C8H19N4O6P 298.1042 NA KEGG NA NA +MJ026309 Lombricine, ?-N,N-Di-Me C8H19N4O6P 298.10422 NA MeJP NA NA +MJ026310 4'-Hydroxyacetophenone; O-?-D-Glucopyranoside C14H18O7 298.105252 NA MeJP NA NA +MJ026311 Globoscinic acid C14H18O7 298.105252 NA MeJP NA NA +MJ026312 Hexahydro-3,7a-dihydroxy-3a,7-dimethyl-1,4-isobenzofurandione, Di-Ac C14H18O7 298.105252 NA MeJP NA NA +MJ026313 Methyl ?-D-glucopyranoside; 6-Benzoyl C14H18O7 298.105252 NA MeJP NA NA +MJ026314 Multiforisin C C14H18O7 298.105252 NA MeJP NA NA +HMDB10350 2-Phenylethanol glucuronide C14H18O7 298.105255 NA HMDB2010 NA NA +C10720 Picein C14H18O7 298.1053 NA KEGG NA NA +MJ026315 Cloximate C14H19ClN2O3 298.10842 NA MeJP NA NA +MJ026316 Bis(2-hydroxyhexyl) trisulfide C12H26O2S3 298.109492 NA MeJP NA NA +CJpos0707 N2-methylguanosine [(M+H)]+ (13C) C1013CH16N5O5 298.110175 C18rt(min)=4.52 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0707 N2-methylguanosine [(M+H)]+ (13C) C1013CH16N5O5 298.110175 C18rt(min)=4.52 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +C17619 10-(beta-Dimethylaminopropionyl)phenothiazine C17H18N2OS 298.114 NA KEGG NA NA +HMDB01107 7-Methylguanosine C11H16N5O5 298.11514 http://www.hmdb.ca/metabolites/HMDB01107 HMDB NA NA +HMDB01107 7-Methylguanosine C11H16N5O5 298.11514 HMDB01107 PFEM_hmdb_metabocards_official NA NA +HMDB01107 7-Methylguanosine C11H16N5O5 298.115143 NA HMDB2010 NA NA +MJ026317 Bengazole Z C13H18N2O6 298.116486 NA MeJP NA NA +MetaCyc02652 N-(4-nitrophenyl)validamine [] C13H18N2O6 298.116486 97380-32-0 metacyc NA NA +MJ026318 2-(2-Propoxyphenyl)-5-(1H-tetrazol-5-yl)-4(1H)-pyrimidinone C14H14N6O2 298.117823 NA MeJP NA NA +C07332 Dibenzylsuccinate C18H18O4 298.1205 NA KEGG NA NA +C18165 Enterolactone C18H18O4 298.1205 NA KEGG NA NA +FL1CA9NM0004 Aurentiacin C18H18O4 298.1205 58969-62-3 knapsack NA NA +FL1CA9NM0005 2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone C18H18O4 298.1205 65349-31-7 knapsack NA NA +FL1CQUNM0003 Ceroptene C18H18O4 298.1205 56015-03-3 knapsack NA NA +FL1CQUNM0005 Infectocaryone C18H18O4 298.1205 371194-02-4 knapsack NA NA +FL2F1ANM0001 7,4'-Dimethoxy-6-C-methylflavanone C18H18O4 298.1205 88795-40-8 knapsack NA NA +FL2FA9NM0007 5-Hydroxy-7-methoxy-6,8-di-C-methylflavanone C18H18O4 298.1205 55820-35-4 knapsack NA NA +FL2FA9NM0009 (+)-6,8-Di-C-methylpinocembrin 5-methyl ether C18H18O4 298.1205 83247-72-7 knapsack NA NA +FL2FA9NM0011 5,7-Dimethoxy-6-C-methylflavanone C18H18O4 298.1205 128508-16-7 knapsack NA NA +MJ026319 1,2,6,7-Tetrahydro-4,8-dimethylphenanthro[3,4-b]furan-1,2,9-triol C18H18O4 298.120509 NA MeJP NA NA +MJ026320 1,4-Bis(2-hydroxy-5-methylphenyl)-1,4-butanedione C18H18O4 298.120509 NA MeJP NA NA +MJ026321 2',4',6'-Trihydroxy-3',5'-dimethylchalcone; 2'-Me ether C18H18O4 298.120509 NA MeJP NA NA +MJ026322 2',4',6'-Trihydroxy-3',5'-dimethylchalcone; 4'-Me ether C18H18O4 298.120509 NA MeJP NA NA +MJ026323 2',4',6'-Trihydroxy-3'-methylchalcone; 4',6'-Di-Me ether C18H18O4 298.120509 NA MeJP NA NA +MJ026324 2',4,4'-Trihydroxychalcone; Tri-Me ether C18H18O4 298.120509 NA MeJP NA NA +MJ026325 2,3,5,7-Phenanthrenetetrol; Tetra-Me ether C18H18O4 298.120509 NA MeJP NA NA +MJ026326 2-(2,4-Dihydroxyphenyl)-5-benzofuranpropanol; 2'-Me ether C18H18O4 298.120509 NA MeJP NA NA +MJ026327 2-(2,4-Dihydroxyphenyl)-5-benzofuranpropanol; 4'-Me ether C18H18O4 298.120509 NA MeJP NA NA +MJ026328 2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-3-methylbenzofuran, 3'-Deoxy C18H18O4 298.120509 NA MeJP NA NA +MJ026329 2-Phenylethanol; 4-Hydroxy-3-methoxycinnamoyl(E-) C18H18O4 298.120509 NA MeJP NA NA +MJ026330 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3',4'-Di-Me ether, benzoyl C18H18O4 298.120509 NA MeJP NA NA +MJ026331 4',7-Dihydroxy-6-methylflavanone, Di-Me ether C18H18O4 298.120509 NA MeJP NA NA +MJ026332 4,6-Tetradecadiene-8,10,12-triyne-1,3-diol, Di-Ac C18H18O4 298.120509 NA MeJP NA NA +MJ026333 5,7,8-Trihydroxy-3-flavene, Tri-Me ether C18H18O4 298.120509 NA MeJP NA NA +MJ026334 5,7-Dihydroxy-6,8-dimethylflavanone, 5-Me ether C18H18O4 298.120509 NA MeJP NA NA +MJ026335 5,7-Dihydroxy-6,8-dimethylflavanone, 7-Me ether C18H18O4 298.120509 NA MeJP NA NA +MJ026336 5,7-Dihydroxy-6-methylflavanone, Di-Me ether C18H18O4 298.120509 NA MeJP NA NA +MJ026337 5,7-Dihydroxy-8-methylflavanone, Di-Me ether C18H18O4 298.120509 NA MeJP NA NA +MJ026338 Bharanginin C18H18O4 298.120509 NA MeJP NA NA +MJ026339 Ceroptin; 5-Methoxy C18H18O4 298.120509 NA MeJP NA NA +MJ026340 Demethylcacalohastine; 3,4-Didehydro, 13-acetoxy, 9-Me ether C18H18O4 298.120509 NA MeJP NA NA +MJ026341 Enterolactone C18H18O4 298.120509 NA MeJP NA NA +MJ026342 Flavidin; 6-Methoxy, di-Me ether C18H18O4 298.120509 NA MeJP NA NA +MJ026343 Hariganetin C18H18O4 298.120509 NA MeJP NA NA +MJ026344 Ligballinol C18H18O4 298.120509 NA MeJP NA NA +MJ026345 Magnolignan E C18H18O4 298.120509 NA MeJP NA NA +HMDB06101 Enterolactone C18H18O4 298.12051 http://www.hmdb.ca/metabolites/HMDB06101 PFEM_hmdb_metabocards_urine NA urine +HMDB06101 Enterolactone C18H18O4 298.12051 http://www.hmdb.ca/metabolites/HMDB06101 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB06101 Enterolactone C18H18O4 298.12051 http://www.hmdb.ca/metabolites/HMDB06101 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04808 7C-aglycone C18H18O4 298.12051 http://www.hmdb.ca/metabolites/HMDB04808 HMDB NA NA +HMDB06101 Enterolactone C18H18O4 298.12051 http://www.hmdb.ca/metabolites/HMDB06101 HMDB NA NA +HMDB04808 7C-aglycone C18H18O4 298.12051 HMDB04808 PFEM_hmdb_metabocards_official NA NA +HMDB06101 Enterolactone C18H18O4 298.12051 HMDB06101 PFEM_hmdb_metabocards_official NA NA +HMDB04808 7C-aglycone C18H18O4 298.120514 NA HMDB2010 NA NA +HMDB06101 Enterolactone C18H18O4 298.120514 NA HMDB2010 NA NA +MJ026346 6-(2-Cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methyl-4-oxo-5-hexenoic acid C17H18N2O3 298.131742 NA MeJP NA NA +MJ026347 Benzidol C17H18N2O3 298.131742 NA MeJP NA NA +MJ026348 Diphoxazide C17H18N2O3 298.131742 NA MeJP NA NA +MJ026349 Piprozolin C14H22N2O3S 298.135113 NA MeJP NA NA +MJ026350 2,6-Diamino-3a,4,9,10-tetrahydro-10-hydroxy-1H,8H-pyrrolo[1,2-c]purine-4-methanol; 10-Hydroxy, 11-Ac C11H18N6O4 298.138953 NA MeJP NA NA +MJ026351 1,3,7,10,12-Pentahydroxy-2(9)-illuden-8-one C15H22O6 298.141638 NA MeJP NA NA +MJ026352 3,4,8,15-Scirpenetetrol C15H22O6 298.141638 NA MeJP NA NA +MJ026353 3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro C15H22O6 298.141638 NA MeJP NA NA +MJ026354 3,7,8,15-Scirpenetetrol C15H22O6 298.141638 NA MeJP NA NA +MJ026355 Amoenin C15H22O6 298.141638 NA MeJP NA NA +MJ026356 Debenzoyltashironin; 4-Oxo, 8-alcohol C15H22O6 298.141638 NA MeJP NA NA +MJ026357 Parviflorolide C15H22O6 298.141638 NA MeJP NA NA +MJ026358 Phomopsolide B; 6,7-Dihydro C15H22O6 298.141638 NA MeJP NA NA +MJ026359 Pseudoanisatin C15H22O6 298.141638 NA MeJP NA NA +MJ026360 Tehranolide C15H22O6 298.141638 NA MeJP NA NA +MJ026361 p-Mentha-1,3,5-triene-2,5,8,9,10-pentol; 2-Me ether, 9-(methylpropanoyl) C15H22O6 298.141638 NA MeJP NA NA +MJ026362 2-(Dimethylamino)-1,5-dihydro-5-(1H-indol-3-yl)-5-(2-oxopropyl)-4H-imidazol-4-one C16H18N4O2 298.142975 NA MeJP NA NA +MJ026363 Nialamide C16H18N4O2 298.142975 NA MeJP NA NA +MJ026364 Piribedil C16H18N4O2 298.142975 NA MeJP NA NA +MJ026365 Alimemazine C18H22N2S 298.150369 NA MeJP NA NA +MJ026366 Diethazine C18H22N2S 298.150369 NA MeJP NA NA +C07172 Trimeprazine C18H22N2S 298.1504 NA KEGG NA NA +C07173 Transferred to D00392 C18H22N2S 298.1504 NA KEGG NA NA +MJ026367 1-[[[2-[(5-Cyano-2-pyridinyl)amino]ethyl]amino]acetyl]-2-pyrrolidinecarbonitrile C15H18N6O 298.154209 NA MeJP NA NA +MJ026368 Olomoucine C15H18N6O 298.154209 NA MeJP NA NA +MetaCyc02653 olomoucine [6-benzylamino-2-[2-hydroxyethylamino]-9-methylpurine;] C15H18N6O1 298.154209 NA metacyc NA NA +MJ026369 1,7-Bis(4-hydroxyphenyl)-3-heptanone C19H22O3 298.156894 NA MeJP NA NA +MJ026370 1,7-Diphenyl-1,3,5-heptanetriol, 3-Ketone C19H22O3 298.156894 NA MeJP NA NA +MJ026371 1-(4-Hydroxyphenyl)-2-(2-methoxy-5-propenylphenyl)-2-propanol C19H22O3 298.156894 NA MeJP NA NA +MJ026372 1-(4-Hydroxyphenyl)-7-phenyl-6-hepten-3-ol, 3'-Hydroxy C19H22O3 298.156894 NA MeJP NA NA +MJ026373 14-Hydroxyandrosta-4,6,15-triene-3,17-dione; 14?-form C19H22O3 298.156894 NA MeJP NA NA +MJ026374 2-(3-Methyl-2-butenyl)-5-(2-phenylethyl)-1,3-benzenediol; 2'',3''-Epoxide C19H22O3 298.156894 NA MeJP NA NA +MJ026375 3-[2,2-Dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-2-propenoic acid C19H22O3 298.156894 NA MeJP NA NA +MJ026376 3-[2,3-Dihydro-7-(3-methyl-2-butenyl)-2-(1-methylethenyl)-5-benzofuranyl]-2-propenoic acid C19H22O3 298.156894 NA MeJP NA NA +MJ026377 4,4',5-Trihydroxy-2,7'-cyclolignan, 4-Me ether C19H22O3 298.156894 NA MeJP NA NA +MJ026378 4-(2,3-Epoxy-3-methylbutyl)-5-(2-phenylethyl)-1,3-benzenediol C19H22O3 298.156894 NA MeJP NA NA +MJ026379 5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone; Demethoxy C19H22O3 298.156894 NA MeJP NA NA +MJ026380 7-Hydroxy-3,6-diprenylcoumarin C19H22O3 298.156894 NA MeJP NA NA +MJ026381 7-Hydroxy-5,6-diprenylcoumarin C19H22O3 298.156894 NA MeJP NA NA +MJ026382 7-Hydroxy-6,8-bis(3-methyl-2-butenyl)-2H-1-benzopyran-2-one C19H22O3 298.156894 NA MeJP NA NA +MJ026383 8-(3,7-Dimethyl-2,6-octadienyl)-7-hydroxy-2H-1-benzopyran-2-one C19H22O3 298.156894 NA MeJP NA NA +MJ026384 9,10-Dihydro-2,6-dihydroxy-5-(1-hydroxyethyl)-1,7-dimethylphenanthrene; 1'-Me ether C19H22O3 298.156894 NA MeJP NA NA +MJ026385 Acerogenin A C19H22O3 298.156894 NA MeJP NA NA +MJ026386 Acerogenin B C19H22O3 298.156894 NA MeJP NA NA +MJ026387 Alnusdiol; 11-Deoxy C19H22O3 298.156894 NA MeJP NA NA +MJ026388 Arucadiol C19H22O3 298.156894 NA MeJP NA NA +MJ026389 Auraptene C19H22O3 298.156894 NA MeJP NA NA +MJ026390 Auroglaucin C19H22O3 298.156894 NA MeJP NA NA +MJ026391 Brombyin 2 C19H22O3 298.156894 NA MeJP NA NA +MJ026392 Centrolobin, O-De-Me C19H22O3 298.156894 NA MeJP NA NA +MJ026393 Doisynoestrol C19H22O3 298.156894 NA MeJP NA NA +MJ026394 Favelol; 1?-form, 1-Ketone C19H22O3 298.156894 NA MeJP NA NA +MJ026395 Franklinene C19H22O3 298.156894 NA MeJP NA NA +MJ026396 Glepidotin C C19H22O3 298.156894 NA MeJP NA NA +MJ026397 Gravelliferone C19H22O3 298.156894 NA MeJP NA NA +MJ026398 Hasakol C19H22O3 298.156894 NA MeJP NA NA +MJ026399 Osthenol; O-(3-Methyl-2-butenyl) C19H22O3 298.156894 NA MeJP NA NA +MJ026400 Ostruthin C19H22O3 298.156894 NA MeJP NA NA +MJ026401 Perrottetin A C19H22O3 298.156894 NA MeJP NA NA +MJ026402 Peucenol C19H22O3 298.156894 NA MeJP NA NA +MJ026403 Zapotecol C19H22O3 298.156894 NA MeJP NA NA +MJ026404 p-Mentha-1,3,5-triene-8,9-diol; 9-(3-Phenylpropanoyl) C19H22O3 298.156894 NA MeJP NA NA +C09281 Ostruthin C19H22O3 298.1569 NA KEGG NA NA +C10259 Glepidotin C C19H22O3 298.1569 NA KEGG NA NA +C15453 Doisynoestrol C19H22O3 298.1569 NA KEGG NA NA +MJ026405 Diphthine C13H22N4O4 298.164105 NA MeJP NA NA +MetaCyc02654 diphthine [] C13H22N4O4 298.164105 NA metacyc NA NA +MJ026406 Aglairubine C18H22N2O2 298.168127 NA MeJP NA NA +MJ026407 Brafouedine C18H22N2O2 298.168127 NA MeJP NA NA +MJ026408 Carazolol C18H22N2O2 298.168127 NA MeJP NA NA +MJ026409 Doisuthine; 4'-Methoxy C18H22N2O2 298.168127 NA MeJP NA NA +MJ026410 Fumigaclavine B, O-Ac C18H22N2O2 298.168127 NA MeJP NA NA +MJ026411 Isobrafouedine C18H22N2O2 298.168127 NA MeJP NA NA +MJ026412 Isofumigaclavine A C18H22N2O2 298.168127 NA MeJP NA NA +MJ026413 Odorine, 2,3-Didehydro C18H22N2O2 298.168127 NA MeJP NA NA +MJ026414 Phenacaine C18H22N2O2 298.168127 NA MeJP NA NA +MJ026415 Strychnochromine C18H22N2O2 298.168127 NA MeJP NA NA +MJ026416 1,3,6-Trihydroxy-11(13)-eudesmen-12-oic acid, Me ester C16H26O5 298.178023 NA MeJP NA NA +MJ026417 10-Hydroperoxy-7-hydroxy-2,11-bisaboladien-15-oic acid; 10-Epimer, Me ester C16H26O5 298.178023 NA MeJP NA NA +MJ026418 10-Hydroperoxy-7-hydroxy-2,11-bisaboladien-15-oic acid; Me ester C16H26O5 298.178023 NA MeJP NA NA +MJ026419 11-Hydroperoxy-7-hydroxy-2,9-bisaboladien-15-oic acid, Me ester C16H26O5 298.178023 NA MeJP NA NA +MJ026420 2,3,4,6,7,8-Hexahydro-4,8-dihydroxy-2-(1-hydroxyheptyl)-5H-1-benzopyran-5-one C16H26O5 298.178023 NA MeJP NA NA +MJ026421 3-Hydroxy-5-oxo-2-(3-oxooctyl)cyclopentanepropanoic acid C16H26O5 298.178023 NA MeJP NA NA +MJ026422 Antibiotic WF 5027I C16H26O5 298.178023 NA MeJP NA NA +MJ026423 Artemisinin; 12?-Alcohol, Me ether C16H26O5 298.178023 NA MeJP NA NA +MJ026424 Deacetyldihydrobotrydial; 15-Oxo, 10-Me ether C16H26O5 298.178023 NA MeJP NA NA +MJ026425 Hebelophyllene G C16H26O5 298.178023 NA MeJP NA NA +MJ026426 Ovalicin; 4?-Alcohol C16H26O5 298.178023 NA MeJP NA NA +MJ026427 1-Methyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-1H-indazole-3-carboxamide C17H22N4O 298.179361 NA MeJP NA NA +MJ026428 Minaprine C17H22N4O 298.179361 NA MeJP NA NA +MetaCyc02655 diphthamide [] C13H24N5O3 298.187915 NA metacyc NA NA +MJ026429 1,8,11,13-Cleistanthatetraene-3,7-dione; 1,2-Dihydro C20H26O2 298.19328 NA MeJP NA NA +MJ026430 10-Oxo-4,10-seco-2,4,13(15),17-spatatetraen-12-al C20H26O2 298.19328 NA MeJP NA NA +MJ026431 11,12-Dihydroxy-5,8,11,13-abietatetraen-7-one; 11-Deoxy C20H26O2 298.19328 NA MeJP NA NA +MJ026432 11-Hydroxy-5,7,9(11),13-abietatetraen-12-one C20H26O2 298.19328 NA MeJP NA NA +MJ026433 12-Hydroxy-2,8,11,13-totaratetraen-1-one C20H26O2 298.19328 NA MeJP NA NA +MJ026434 13-Hydroxy-2,8,11,13-totaratetraen-1-one C20H26O2 298.19328 NA MeJP NA NA +MJ026435 15,16-Epoxy-7,11,13(16),14-labdatetraen-6-one C20H26O2 298.19328 NA MeJP NA NA +MJ026436 17-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one C20H26O2 298.19328 NA MeJP NA NA +MJ026437 19(4?3)-Abeo-3,8,11,13-abietatetraen-19-oic acid C20H26O2 298.19328 NA MeJP NA NA +MJ026438 2,7,13-Fusicoccatriene-4,12-dione C20H26O2 298.19328 NA MeJP NA NA +MJ026439 5-Vouacapenol; 5?-form, 8,9,11,14-Tetradehydro C20H26O2 298.19328 NA MeJP NA NA +MJ026440 6,8,12-Abietatriene-11,14-dione C20H26O2 298.19328 NA MeJP NA NA +MJ026441 8,11,13,15-Abietatetraen-18-oic acid C20H26O2 298.19328 NA MeJP NA NA +MJ026442 8,11,13,15-Abietatetraen-19-oic acid C20H26O2 298.19328 NA MeJP NA NA +MJ026443 8,11,13,15-Cleistanthatetraene-3,12-diol, 3-Ketone C20H26O2 298.19328 NA MeJP NA NA +MJ026444 8,11,13-Abietatriene-3,12-diol; 3?-form, 3-Ketone, 6,7-didehydro C20H26O2 298.19328 NA MeJP NA NA +MJ026445 8,11,13-Abietatriene-3,7-dione C20H26O2 298.19328 NA MeJP NA NA +MJ026446 8,11,13-Abietatriene-7,18-diol; 7?-form, 18-Aldehyde, 7-ketone C20H26O2 298.19328 NA MeJP NA NA +MJ026447 Atamestane C20H26O2 298.19328 NA MeJP NA NA +MJ026448 Benzestrol C20H26O2 298.19328 NA MeJP NA NA +MJ026449 Eremolactone C20H26O2 298.19328 NA MeJP NA NA +MJ026450 Juvocimene 1; 1'',2''-Epoxide C20H26O2 298.19328 NA MeJP NA NA +MJ026451 Metaseol C20H26O2 298.19328 NA MeJP NA NA +MJ026452 Methestrol C20H26O2 298.19328 NA MeJP NA NA +MJ026453 Microstegiol C20H26O2 298.19328 NA MeJP NA NA +MJ026454 Norethisterone C20H26O2 298.19328 NA MeJP NA NA +MJ026455 Staudtienic acid C20H26O2 298.19328 NA MeJP NA NA +MJ026456 Verecynarmin B C20H26O2 298.19328 NA MeJP NA NA +MJ026457 Verecynarmin F C20H26O2 298.19328 NA MeJP NA NA +C05028 Norethindrone C20H26O2 298.1933 NA KEGG NA NA +C14249 Norethynodrel C20H26O2 298.1933 NA KEGG NA NA +C15114 3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one C20H26O2 298.1933 NA KEGG NA NA +C15142 3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol C20H26O2 298.1933 NA KEGG NA NA +C15219 2,6-Dimethylhexestrol C20H26O2 298.1933 NA KEGG NA NA +C15277 3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one C20H26O2 298.1933 NA KEGG NA NA +MJ026458 Pareptide C14H26N4O3 298.20049 NA MeJP NA NA +C09197 Geissoschizoline C19H26N2O 298.2045 NA KEGG NA NA +C10131 Astrophylline C19H26N2O 298.2045 NA KEGG NA NA +MJ026459 2-Ethyl-3-[2-(3-acetylpiperidino)ethyl]indole C19H26N2O 298.204513 NA MeJP NA NA +MJ026460 8-(Dipropylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole-1-carboxaldehyde C19H26N2O 298.204513 NA MeJP NA NA +MJ026461 Antirhine; natural-form, Dihydro C19H26N2O 298.204513 NA MeJP NA NA +MJ026462 Aspidospermidine, 18-Hydroxy C19H26N2O 298.204513 NA MeJP NA NA +MJ026463 Aspidospermidine, 20,21-Diepimer, Nb-oxide C19H26N2O 298.204513 NA MeJP NA NA +MJ026464 Astrophylline C19H26N2O 298.204513 NA MeJP NA NA +MJ026465 Capuronine C19H26N2O 298.204513 NA MeJP NA NA +MJ026466 Corynantheidol C19H26N2O 298.204513 NA MeJP NA NA +MJ026467 Deacetylaspidospermine, O-De-Me C19H26N2O 298.204513 NA MeJP NA NA +MJ026468 Decarbomethoxytetrahydrosecodine, 16-Oxo C19H26N2O 298.204513 NA MeJP NA NA +MJ026469 Decarbomethoxytetrahydrosecodine, 19-Oxo C19H26N2O 298.204513 NA MeJP NA NA +MJ026470 Dihydrocorynantheol C19H26N2O 298.204513 NA MeJP NA NA +MJ026471 Fendlispermine C19H26N2O 298.204513 NA MeJP NA NA +MJ026472 Geissoschizoline C19H26N2O 298.204513 NA MeJP NA NA +MJ026473 Melonine; Nb-Oxide C19H26N2O 298.204513 NA MeJP NA NA +MJ026474 Naftypramide C19H26N2O 298.204513 NA MeJP NA NA +MJ026475 Quebrachamine, 14?-Hydroxy C19H26N2O 298.204513 NA MeJP NA NA +MJ026476 Rhazidigenine C19H26N2O 298.204513 NA MeJP NA NA +MJ026477 Strictanol C19H26N2O 298.204513 NA MeJP NA NA +MJ026478 Velbanamine C19H26N2O 298.204513 NA MeJP NA NA +C17158 Plakortic acid C17H30O4 298.2144 NA KEGG NA NA +MJ026479 4,6,11-Eudesmanetriol, 4-Ac C17H30O4 298.214409 NA MeJP NA NA +MJ026480 4,6-Diethyl-3,6-dihydro-6-(2-methylhexyl)-1,2-dioxin-3-acetic acid C17H30O4 298.214409 NA MeJP NA NA +MJ026481 4,8,11-Eudesmanetriol, 8-Ac C17H30O4 298.214409 NA MeJP NA NA +MJ026482 Acaranoic acid C17H30O4 298.214409 NA MeJP NA NA +MJ026483 Albocycline; 2,3,8,9-Tetrahydro, O-de-Me C17H30O4 298.214409 NA MeJP NA NA +MJ026484 Nephrosterinic acid; 4S,20-Dihydro C17H30O4 298.214409 NA MeJP NA NA +MJ026485 Plakortic acid C17H30O4 298.214409 NA MeJP NA NA +MJ026486 Rubrynolide; 9',10'-Dihydro C17H30O4 298.214409 NA MeJP NA NA +MJ026487 3-Pentadecylphenol; 8',9',11',12',14',15'-Hexadehydro (Z,Z,Z-) C21H30O 298.229665 NA MeJP NA NA +MJ026488 8,11,13-Abietatrien-12-ol, 6,7-Didehydro, Me ether C21H30O 298.229665 NA MeJP NA NA +MJ026489 8,11,13-Abietatrien-12-ol; 5?-form, 6,7-Didehydro, Me ether C21H30O 298.229665 NA MeJP NA NA +MJ026490 Pregna-1,20-dien-3-one C21H30O 298.229665 NA MeJP NA NA +C15117 3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol C21H30O 298.2297 NA KEGG NA NA +MJ026491 18-Fluoro-9,12-octadecadienoic acid C18H31FO2 298.230808 NA MeJP NA NA +HMDB10736 3-Oxooctadecanoic acid C18H34O3 298.250793 NA HMDB2010 NA NA +MJ026492 1-Hydroxy-3-hexadecanone; Ac C18H34O3 298.250794 NA MeJP NA NA +MJ026493 10-Hydroxy-8-octadecenoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026494 10-Oxooctadecanoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026495 11-Cycloheptyl-2-hydroxyundecanoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026496 11-Hydroxy-9-octadecenoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026497 11-Oxooctadecanoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026498 12-Hydroxy-9-octadecenoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026499 18-Hydroxy-9-octadecenoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026500 4-Oxooctadecanoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026501 5-Hexyltetrahydro-2-furanoctanoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026502 5-Oxooctadecanoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026503 6-Oxooctadecanoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026504 7-Hydroxy-8,14-dimethyl-9-hexadecenoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026505 7-Oxooctadecanoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026506 8-Hydroxy-10-octadecenoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026507 8-Hydroxy-9-octadecenoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026508 9-Hydroxy-10-octadecenoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026509 9-Hydroxy-11-octadecenoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026510 9-Hydroxy-12-octadecenoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026511 9-Oxooctadecanoic acid C18H34O3 298.250794 NA MeJP NA NA +MJ026512 Rosaprostol C18H34O3 298.250794 NA MeJP NA NA +MetaCyc02656 2-oxostearate [] C18H34O3 298.250795 NA metacyc NA NA +MetaCyc02657 18-hydroxyoleate [18-hydroxyoctadec-9-enoic acid;] C18H34O3 298.250795 NA metacyc NA NA +C00869 2-Oxooctadecanoic acid C18H34O3 298.2508 NA KEGG NA NA +C08365 (9Z)-(12S)-Hydroxyoctadecenoic acid C18H34O3 298.2508 NA KEGG NA NA +C13791 (6R,7S)-6,7-Epoxyoctadecanoic acid C18H34O3 298.2508 NA KEGG NA NA +MJ026513 Aplysillamide A; 2,3S-Dihydro C16H34N4O 298.273261 NA MeJP NA NA +HMDB00772 Nonadecanoic acid C19H38O2 298.28717 http://www.hmdb.ca/metabolites/HMDB00772 HMDB NA NA +HMDB00795 Pristanic acid C19H38O2 298.28717 http://www.hmdb.ca/metabolites/HMDB00795 HMDB NA NA +HMDB04085 Tuberculostearic acid C19H38O2 298.28717 http://www.hmdb.ca/metabolites/HMDB04085 HMDB NA NA +HMDB00772 Nonadecanoic acid C19H38O2 298.28717 HMDB00772 PFEM_hmdb_metabocards_official NA NA +HMDB00795 Pristanic acid C19H38O2 298.28717 HMDB00795 PFEM_hmdb_metabocards_official NA NA +HMDB04085 Tuberculostearic acid C19H38O2 298.28717 HMDB04085 PFEM_hmdb_metabocards_official NA NA +HMDB00772 Nonadecanoic acid C19H38O2 298.28717 NA HMDB2010 NA NA +HMDB00795 Pristanic acid C19H38O2 298.28717 NA HMDB2010 NA NA +HMDB04085 Tuberculostearic acid C19H38O2 298.28717 NA HMDB2010 NA NA +MJ026514 10-Methyloctadecanoic acid C19H38O2 298.28718 NA MeJP NA NA +MJ026515 16-Methyloctadecanoic acid C19H38O2 298.28718 NA MeJP NA NA +MJ026516 17-Methyloctadecanoic acid C19H38O2 298.28718 NA MeJP NA NA +MJ026517 2,6,10,14-Tetramethylpentadecanoic acid C19H38O2 298.28718 NA MeJP NA NA +MJ026518 2-Methylheptadecanoic acid; Me ester C19H38O2 298.28718 NA MeJP NA NA +MJ026519 2-Methyloctadecanoic acid C19H38O2 298.28718 NA MeJP NA NA +MJ026520 3,7,11-Trimethyl-2-tridecanol, Propanoyl C19H38O2 298.28718 NA MeJP NA NA +MJ026521 4,6-Nonadecanedione; 4-Alcohol C19H38O2 298.28718 NA MeJP NA NA +MJ026522 4,6-Nonadecanedione; 6-Alcohol C19H38O2 298.28718 NA MeJP NA NA +MJ026523 4-Methyl-7-hexadecanol; Ac C19H38O2 298.28718 NA MeJP NA NA +MJ026524 7-Hydroxy-2-nonadecanone C19H38O2 298.28718 NA MeJP NA NA +MJ026525 Hexadecanoic acid; Isopropyl ester C19H38O2 298.28718 NA MeJP NA NA +MJ026526 Nonadecanoic acid C19H38O2 298.28718 NA MeJP NA NA +MetaCyc02658 tuberculostearate [tuberculostearic acid;10-methyloctadecanoic acid;] C19H38O2 298.28718 NA metacyc NA NA +MetaCyc02659 pristanate [pristanic-acid;] C19H38O2 298.28718 NA metacyc NA NA +C16535 Nonadecanoic acid C19H38O2 298.2872 NA KEGG NA NA +C16794 Tuberculostearic acid C19H38O2 298.2872 NA KEGG NA NA +MJ026527 1-Eicosanol C20H42O 298.323565 NA MeJP NA NA +MJ026528 2-Eicosanol C20H42O 298.323565 NA MeJP NA NA +HMDB11619 Arachidyl alcohol C20H42O 298.323578 NA HMDB2010 NA NA +C13815 Tetrapentylammonium C20H44N 298.3474 NA KEGG NA NA +3534 ACE inhibitor YPRY 298.6395 MH2+ Inhouse_peptide NA peptide +3794 NA RYYP 298.6395 MH2+ Inhouse_peptide NA peptide +7679 ACE inhibitor from bonito bowels YRPY 298.6395 MH2+ Inhouse_peptide NA peptide +C14438 Captan C9H8Cl3NO2S 298.9341 NA KEGG NA NA +MJ026529 Diamminedichloroplatinum(II); cis-form Cl2H6N2Pt 298.955578 NA MeJP NA NA +C06911 Cisplatin PtCl2 298.9556 NA KEGG NA NA +C04752 2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate C6H11N3O7P2 299.0072 NA KEGG NA NA +C04755 Glycoprotein N-acetyl-D-glucosaminyl-phospho-D-mannose C14H25NO14PR 299.0072 NA KEGG NA NA +C04756 O-1-Alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine C8H14NO7PR2 299.0072 NA KEGG NA NA +MJ026530 2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate C6H11N3O7P2 299.007222 NA MeJP NA NA +MetaCyc02660 4-amino-5-hydroxymethyl-2-methylpyrimidine-pyrophosphate [4-amino-2-methyl-5-diphosphomethylpyrimidine;2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate;HMP-PP;4-amino-5-hydroxymethyl-2-methylpyrimidine-PP;] C6H11N3O7P2 299.007223 841-01-0 metacyc NA NA +MJ026531 Traxanox C13H6ClN5O2 299.021002 NA MeJP NA NA +MJ026532 Azaconazole C12H11Cl2N3O2 299.022832 NA MeJP NA NA +MJ026533 4',7-Dihydroxy-3'-nitroisoflavone C15H9NO6 299.042987 NA MeJP NA NA +C11326 8-Anilino-1-naphthalene sulfonic acid C16H13NO3S 299.0616 NA KEGG NA NA +MJ026534 Ascididemin; 11-Hydroxy C18H9N3O2 299.069476 NA MeJP NA NA +MJ026535 Fenbendazole C15H13N3O2S 299.072847 NA MeJP NA NA +MJ026536 Frentizole C15H13N3O2S 299.072847 NA MeJP NA NA +HMDB01016 D-4'-Phosphopantothenate C9H18NO8P 299.076996 NA HMDB2010 NA NA +HMDB01016 D-4'-Phosphopantothenate C9H18NO8P 299.077 http://www.hmdb.ca/metabolites/HMDB01016 HMDB NA NA +C03492 D-4'-Phosphopantothenate C9H18NO8P 299.077 NA KEGG NA NA +HMDB01016 D-4'-Phosphopantothenate C9H18NO8P 299.077 HMDB01016 PFEM_hmdb_metabocards_official NA NA +MJ026537 D-4'-Phosphopantothenate C9H18NO8P 299.077003 NA MeJP NA NA +MetaCyc02661 D-4'-phosphopantothenate [4'-phosphopantothenate;4'-P-Pantothenate;(R)-4'-phosphopantothenate;] C9H18N1O8P1 299.077003 NA metacyc NA NA +MJ026538 2'-C-Methyladenosine; 2-Chloro, 5'-deoxy C11H14ClN5O3 299.078517 NA MeJP NA NA +MJ026539 1,3,5,6-Tetrahydroxyacridone; 5,6-Methylene, 3,10-O,N-di-Me C16H13NO5 299.079372 NA MeJP NA NA +MJ026540 1-Amino-4,5-dihydroxy-7-methoxy-2-methylanthraquinone C16H13NO5 299.079372 NA MeJP NA NA +MJ026541 2-Amino-4-hydroxybenzoic acid; N-(4-Hydroxycinnamoyl) (E-) C16H13NO5 299.079372 NA MeJP NA NA +MJ026542 2-Amino-5-hydroxybenzoic acid; N-(4-Hydroxycinnamoyl)(E-) C16H13NO5 299.079372 NA MeJP NA NA +MJ026543 2-Amino-5-hydroxybenzoic acid; N-(4-Hydroxycinnamoyl)(Z-) C16H13NO5 299.079372 NA MeJP NA NA +MJ026544 4-Methylbenzo[g]quinoline-5,10-dione; 7,8-Dimethoxy, 6-hydroxy C16H13NO5 299.079372 NA MeJP NA NA +MJ026545 Bostrycoidin; 9-Me ether C16H13NO5 299.079372 NA MeJP NA NA +MJ026546 Marcanine A; 11-Hydroxy, 3-methoxy, N-Me C16H13NO5 299.079372 NA MeJP NA NA +MJ026547 Marcanine A; 9-Hydroxy, 3-methoxy, N-Me C16H13NO5 299.079372 NA MeJP NA NA +MJ026548 Melicopine; O1-De-Me C16H13NO5 299.079372 NA MeJP NA NA +MJ026549 Schumannificine; 7'-Deoxy, 3',7'-didehydro C16H13NO5 299.079372 NA MeJP NA NA +MJ026550 Xanthevodine C16H13NO5 299.079372 NA MeJP NA NA +C08472 Avenanthramide A C16H13NO5 299.0794 NA KEGG NA NA +MJ026551 Chlordiazepoxide C16H14ClN3O 299.082539 NA MeJP NA NA +HMDB02044 8-Hydroxyguanosine C10H13N5O6 299.086578 NA HMDB2010 NA NA +HMDB02044 8-Hydroxyguanosine C10H13N5O6 299.08658 http://www.hmdb.ca/metabolites/HMDB02044 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02044 8-Hydroxyguanosine C10H13N5O6 299.08658 http://www.hmdb.ca/metabolites/HMDB02044 HMDB NA NA +HMDB02044 8-Hydroxyguanosine C10H13N5O6 299.08658 http://www.hmdb.ca/metabolites/HMDB02044 PFEM_hmdb_metabocards_blood NA blood +HMDB02044 8-Hydroxyguanosine C10H13N5O6 299.08658 HMDB02044 PFEM_hmdb_metabocards_official NA NA +EUR053 8-Hydroxyguanosine C10H13N5O6 299.086585 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR053 8-Hydroxyguanosine C10H13N5O6 299.086585 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR053 8-Hydroxyguanosine C10H13N5O6 299.086585 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR053 8-Hydroxyguanosine C10H13N5O6 299.086585 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR053 8-Hydroxyguanosine C10H13N5O6 299.086585 Wishlist HMDB NA NA +EUR053 8-Hydroxyguanosine C10H13N5O6 299.086585 Wishlist Inhouse_PFEM NA NA +EUR053 8-Hydroxyguanosine C10H13N5O6 299.086585 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR053 8-Hydroxyguanosine C10H13N5O6 299.086585 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR053 8-Hydroxyguanosine C10H13N5O6 299.0866 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR053 8-Hydroxyguanosine C10H13N5O6 299.0866 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR053 8-Hydroxyguanosine C10H13N5O6 299.0866 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR053 8-Hydroxyguanosine C10H13N5O6 299.0866 Wishlist Inhousejuil11 NA NA +EUR329 8-hydroxyguanosine F1 NA 299.087575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR329 8-hydroxyguanosine F1 NA 299.087575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR329 8-hydroxyguanosine F1 NA 299.087575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR329 8-hydroxyguanosine F1 NA 299.087575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +MJ026552 Aconiazide C15H13N3O4 299.090605 NA MeJP NA NA +MJ026553 5-Amino-N-[2-(2-chlorophenyl)ethyl]-N'-cyano-3-pyridinecarboximidamide C15H14ClN5 299.093773 NA MeJP NA NA +MJ026554 Imipenem C12H17N3O4S 299.093976 NA MeJP NA NA +C06665 Imipenem C12H17N3O4S 299.094 NA KEGG NA NA +MJ026555 Mitoquidone C20H13NO2 299.094628 NA MeJP NA NA +MetaCyc02662 7-methylxanthosine [] C11H15N4O6 299.099159 NA metacyc NA NA +C16352 7-Methylxanthosine C11H15N4O6 299.0992 NA KEGG NA NA +MJ026556 2-Aminobenzoic acid; ?-D-Glucopyranosyl ester C13H17NO7 299.100501 NA MeJP NA NA +MetaCyc02663 p-aminobenzoate-β-D-glucopyranosyl ester [p-PAPA-Glc;] C13H17N1O7 299.100502 NA metacyc NA NA +MJ026557 Iheyamine A C19H13N3O 299.105862 NA MeJP NA NA +C11593 E3040 C16H17N3OS 299.1092 NA KEGG NA NA +MJ026558 1-[4-(1H-Imidazol-1-yl)benzoyl]-N-methylcyclobutanecarbothioamide C16H17N3OS 299.109232 NA MeJP NA NA +MJ026559 6-Hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridinylmethyl)benzothiazole C16H17N3OS 299.109232 NA MeJP NA NA +MJ026560 1,2,3-Trihydroxyacridone; O,O,O,N-Tetra-Me C17H17NO4 299.115758 NA MeJP NA NA +MJ026561 1,3,4-Trihydroxyacridone; O,O,O,N-Tetra-Me C17H17NO4 299.115758 NA MeJP NA NA +MJ026562 1,3,5-Trihydroxyacridone; O,O,O,N-Tetra-Me C17H17NO4 299.115758 NA MeJP NA NA +MJ026563 3,4-Dihydro-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-2(1H)-quinolinone; 5-Deoxy C17H17NO4 299.115758 NA MeJP NA NA +MJ026564 3-(4-Hydroxyphenyl)-2-propenoic acid, 2-Hydroxy-2-(4-hydroxyphenyl)ethylamide C17H17NO4 299.115758 NA MeJP NA NA +MJ026565 4-(2-Aminoethyl)phenol; N-(3,4-Dihydroxy-E-cinnamoyl) C17H17NO4 299.115758 NA MeJP NA NA +MJ026566 4-(2-Aminoethyl)phenol; N-(3,4-Dihydroxy-Z-cinnamoyl) C17H17NO4 299.115758 NA MeJP NA NA +MJ026567 Adnamine C17H17NO4 299.115758 NA MeJP NA NA +MJ026568 Biflorine C17H17NO4 299.115758 NA MeJP NA NA +MJ026569 Clivonidine C17H17NO4 299.115758 NA MeJP NA NA +MJ026570 Demethylcephalotaxine, 3,4-Didehydro C17H17NO4 299.115758 NA MeJP NA NA +MJ026571 Dopamine; N-(4-Hydroxycinnamoyl)(E-) C17H17NO4 299.115758 NA MeJP NA NA +MJ026572 Erythrartine; 11-Ketone, O15,O16-di-de-Me C17H17NO4 299.115758 NA MeJP NA NA +MJ026573 Flindersine; N-Acetoxymethyl C17H17NO4 299.115758 NA MeJP NA NA +MJ026574 Geovanine C17H17NO4 299.115758 NA MeJP NA NA +MJ026575 Hainanensine C17H17NO4 299.115758 NA MeJP NA NA +MJ026576 Octopamine, N-(4-Hydroxy-E-cinnamoyl) C17H17NO4 299.115758 NA MeJP NA NA +MJ026577 Octopamine, N-(4-Hydroxy-Z-cinnamoyl) C17H17NO4 299.115758 NA MeJP NA NA +MJ026578 Oduline; 7-Ketone (lactone) C17H17NO4 299.115758 NA MeJP NA NA +MJ026579 Salutaridine, N,O6-Di-de-Me C17H17NO4 299.115758 NA MeJP NA NA +MJ026580 Hydroxyluninium(1+), 1'-Deoxy, 1',2'-didehydro C17H18NO4(+) 299.115758 NA MeJP NA NA +MJ026581 Mooreine C17H18NO4(+) 299.115758 NA MeJP NA NA +C12330 2,3,9,10-Tetrahydroxyberbine C17H17NO4 299.1158 NA KEGG NA NA +MJ026582 Lergotrile C17H18ClN3 299.118925 NA MeJP NA NA +MJ026583 Pentiapine C15H17N5S 299.120466 NA MeJP NA NA +PJ000206 GSH C11H17N5O5 299.123 NA PeJP NA NA +MJ026584 3-Amino-N-(aminoiminomethyl)-6-chloro-5-[ethyl(1-methylethyl)amino]pyrazinecarboxamide C11H18ClN7O 299.126135 NA MeJP NA NA +MJ026585 Menitrazepam C16H17N3O3 299.126991 NA MeJP NA NA +MJ026586 Dibutylphosphinic acid; 4-Nitrophenyl ester C14H22NO4P 299.128644 NA MeJP NA NA +C13757 Saxitoxin C10H17N7O4 299.1342 NA KEGG NA NA +MJ026587 Saxitoxin C10H17N7O4 299.134202 NA MeJP NA NA +MJ026588 Metoclopramide C14H22ClN3O2 299.140054 NA MeJP NA NA +C07868 Metoclopramide C14H22ClN3O2 299.1401 NA KEGG NA NA +C07869 Transferred to D00727 C14H22ClN3O2 299.1401 NA KEGG NA NA +MJ026589 1-(2-Quinolinyl)-?-carboline; 1,2,3,4-Tetrahydro C20H17N3 299.142247 NA MeJP NA NA +MJ026590 1-(5-Quinolinyl)-?-carboline; 1,2,3,4-Tetrahydro C20H17N3 299.142247 NA MeJP NA NA +MJ026591 1-(6-Quinolinyl)-?-carboline; 1,2,3,4-Tetrahydro C20H17N3 299.142247 NA MeJP NA NA +MJ026592 1-(8-Quinolinyl)-?-carboline; 1,2,3,4-Tetrahydro C20H17N3 299.142247 NA MeJP NA NA +MJ026593 Komavicine C20H17N3 299.142247 NA MeJP NA NA +MJ026594 Rouhamine C20H17N3 299.142247 NA MeJP NA NA +2893 neuropeptide from eyestalk of Macrobrachium rosenb FMRF~ 299.1467 MH2+ Inhouse_peptide NA peptide +PJ000207 SPP C13H21N3O5 299.1481 NA PeJP NA NA +C05176 (S)-N-Methylcoclaurine C18H21NO3 299.1521 NA KEGG NA NA +C05243 (R)-N-Methylcoclaurine C18H21NO3 299.1521 NA KEGG NA NA +C06174 Codeine C18H21NO3 299.1521 NA KEGG NA NA +C08024 Hydrocodone C18H21NO3 299.1521 NA KEGG NA NA +C08025 Transferred to D00846 C18H21NO3 299.1521 NA KEGG NA NA +C09594 Neopine C18H21NO3 299.1521 NA KEGG NA NA +C11779 Heterocodeine C18H21NO3 299.1521 NA KEGG NA NA +C15366 Estrone 16-oxime C18H21NO3 299.1521 NA KEGG NA NA +HMDB04995 Codeine C18H21NO3 299.15213 http://www.hmdb.ca/metabolites/HMDB04995 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04995 Codeine C18H21NO3 299.15213 http://www.hmdb.ca/metabolites/HMDB04995 HMDB NA NA +HMDB04995 Codeine C18H21NO3 299.15213 http://www.hmdb.ca/metabolites/HMDB04995 PFEM_hmdb_metabocards_blood NA blood +HMDB04995 Codeine C18H21NO3 299.15213 HMDB04995 PFEM_hmdb_metabocards_official NA NA +HMDB04995 Codeine C18H21NO3 299.15213 NA HMDB2010 NA NA +MJ026595 7,8-Didehydro-4,5-epoxy-3-methoxy-17-methyl-(5_,6_)-morphinan-6-ol C18H21NO3 299.152143 NA MeJP NA NA +MJ026596 (R)-N-Methylcoclaurine C18H21NO3 299.152143 NA MeJP NA NA +MJ026597 (S)-N-Methylcoclaurine C18H21NO3 299.152143 NA MeJP NA NA +MJ026598 1-[7-(3,4-Methylenedioxyphenyl)-2,6-heptadienoyl]pyrrolidine C18H21NO3 299.152143 NA MeJP NA NA +MJ026599 2,3-Dihydroxy-3-phenylpropanoic acid, 2-Phenylethylamide, N-Me C18H21NO3 299.152143 NA MeJP NA NA +MJ026600 2-(Dimethylamino)ethyl benzilate C18H21NO3 299.152143 NA MeJP NA NA +MJ026601 3-Demethoxyerythratidinone C18H21NO3 299.152143 NA MeJP NA NA +MJ026602 Anicanine, N-De-Me C18H21NO3 299.152143 NA MeJP NA NA +MJ026603 Anicanine, O6-De-Me C18H21NO3 299.152143 NA MeJP NA NA +MJ026604 Armepavine, N-De-Me C18H21NO3 299.152143 NA MeJP NA NA +MJ026605 Cocculitine; 2-Ketone C18H21NO3 299.152143 NA MeJP NA NA +MJ026606 Codeine C18H21NO3 299.152143 NA MeJP NA NA +MJ026607 Crotsparinine; N-Me C18H21NO3 299.152143 NA MeJP NA NA +MJ026608 Erysotrine, O15-De-Me C18H21NO3 299.152143 NA MeJP NA NA +MJ026609 Erysotrine, O16-De-Me C18H21NO3 299.152143 NA MeJP NA NA +MJ026610 Erysotrine, O3-De-Me C18H21NO3 299.152143 NA MeJP NA NA +MJ026611 Erythramine C18H21NO3 299.152143 NA MeJP NA NA +MJ026612 Gorchacoine, N-De-Me C18H21NO3 299.152143 NA MeJP NA NA +MJ026613 Higenamine, O6,N-Di-Me C18H21NO3 299.152143 NA MeJP NA NA +MJ026614 Hydromorphone; Me ether C18H21NO3 299.152143 NA MeJP NA NA +MJ026615 Isocrotsparinine; N-Me C18H21NO3 299.152143 NA MeJP NA NA +MJ026616 Juziphine C18H21NO3 299.152143 NA MeJP NA NA +MJ026617 Linearisine C18H21NO3 299.152143 NA MeJP NA NA +MJ026618 Metopon C18H21NO3 299.152143 NA MeJP NA NA +MJ026619 Morphine, 6-Me ether C18H21NO3 299.152143 NA MeJP NA NA +MJ026620 Neflexine C18H21NO3 299.152143 NA MeJP NA NA +MJ026621 Neopine C18H21NO3 299.152143 NA MeJP NA NA +MJ026622 Nigrinodine C18H21NO3 299.152143 NA MeJP NA NA +MJ026623 Ornazidine; 3,4-Didehydro, di-Me ether C18H21NO3 299.152143 NA MeJP NA NA +MJ026624 Pandamarilactone 32 C18H21NO3 299.152143 NA MeJP NA NA +MJ026625 Roemeramine C18H21NO3 299.152143 NA MeJP NA NA +MJ026626 Sendaverine C18H21NO3 299.152143 NA MeJP NA NA +MJ026627 Sternine C18H21NO3 299.152143 NA MeJP NA NA +MJ026628 Roserine C18H22NO3(+) 299.152143 NA MeJP NA NA +MetaCyc02664 S-N-methylcoclaurine [(S)-1,2,3,4-tetrahydro-1-[ (4-hydroxyphenyl)methyl ]-6-methoxy-2-methyl -7-isoquinolinol;] C18H21N1O3 299.152144 07/02/3423 metacyc NA NA +MetaCyc02665 R-N-methylcoclaurine [(R) -1,2,3,4-tetrahydro-1-[ (4-hydroxyphenyl) methyl ] -6-methoxy-2-methyl-7-isoquinolinol;] C18H21N1O3 299.152144 5096-70-8 metacyc NA NA +MetaCyc02666 codeine [7,8-Didehydro-4,5-epoxy-3-methoxy-17-methyl-(5_,6_)-morphinan-6-ol;] C18H21N1O3 299.152144 76-57-3 metacyc NA NA +MJ026629 4-Methyl-2-[2-(4-morpholinyl)ethyl]-6-phenyl-3(2H)-pyridazinone C17H21N3O2 299.163376 NA MeJP NA NA +MJ026630 Cyclo(leucyltryptophanyl) C17H21N3O2 299.163376 NA MeJP NA NA +MJ026631 Nicogrelate C17H21N3O2 299.163376 NA MeJP NA NA +3507 ACE inhibitor (beta-LG fr, 78-80) IPA 299.173 ACE inhibitor Inhouse_peptide NA peptide +3597 ACE inhibitor AIP 299.173 ACE inhibitor Inhouse_peptide NA peptide +7570 ACE inhibitor from chicken muscle LAP 299.173 antioxidative Inhouse_peptide NA peptide +7819 ACE inhibitor from wheat gliadin IAP 299.173 antibacterial Inhouse_peptide NA peptide +8304 Dipeptidyl peptidase IV inhibitor IPA 299.173 Medium chain acyl carnitines ;SYN:Decanoylcarnitine; Decanoyl-L-carnitineH2Blood; Urine Inhouse_peptide NA peptide +MJ026632 Amabiline; N-Oxide C15H25NO5 299.173272 NA MeJP NA NA +MJ026633 Echinatine C15H25NO5 299.173272 NA MeJP NA NA +MJ026634 Heliospathuline C15H25NO5 299.173272 NA MeJP NA NA +MJ026635 Indicine C15H25NO5 299.173272 NA MeJP NA NA +MJ026636 Intermedine C15H25NO5 299.173272 NA MeJP NA NA +C10326 Indicine C15H25NO5 299.1733 NA KEGG NA NA +C10330 Intermedine C15H25NO5 299.1733 NA KEGG NA NA +C10336 Isolycopsamine C15H25NO5 299.1733 NA KEGG NA NA +C10347 Lycopsamine C15H25NO5 299.1733 NA KEGG NA NA +C10378 Rinderine C15H25NO5 299.1733 NA KEGG NA NA +41 Muscle LAP 299.174 celiac toxic Inhouse_peptide NA peptide +PJ000208 APL C14H25N3O4 299.1845 NA PeJP NA NA +C11795 Ethylketocyclazocine C19H25NO2 299.1885 NA KEGG NA NA +MJ026637 12-(3-Pyridinyl)-2,4,6-dodecatrien-1-ol, Ac C19H25NO2 299.188529 NA MeJP NA NA +MJ026638 12-(3-Pyridinyl)-4,6,11-dodecatrien-2-ol, Ac C19H25NO2 299.188529 NA MeJP NA NA +MJ026639 12-(3-Pyridinyl)-4,6,8-dodecatrien-2-ol, Ac C19H25NO2 299.188529 NA MeJP NA NA +MJ026640 12-(3-Pyridinyl)-5,8,10-dodecatrien-2-ol, Ac C19H25NO2 299.188529 NA MeJP NA NA +MJ026641 2-Nonyl-4(1H)-quinolinone; 8'-Oxo, N-Me C19H25NO2 299.188529 NA MeJP NA NA +MJ026642 2-Nonyl-4(1H)-quinolinone; OH-form, 8'-Oxo, Me ether C19H25NO2 299.188529 NA MeJP NA NA +MJ026643 3-Methyl-2-(2-nonenyl)-4(1H)-quinolinone; NH-form, N-Hydroxy C19H25NO2 299.188529 NA MeJP NA NA +MJ026644 Berlafenone C19H25NO2 299.188529 NA MeJP NA NA +MJ026645 Buphenine C19H25NO2 299.188529 NA MeJP NA NA +MJ026646 Ethylketazocine C19H25NO2 299.188529 NA MeJP NA NA +MJ026647 Propinetidine C19H25NO2 299.188529 NA MeJP NA NA +MJ026648 Proxorphan C19H25NO2 299.188529 NA MeJP NA NA +MJ026649 Enazadrem C18H25N3O 299.199762 NA MeJP NA NA +CJpos0708 Nonenoylcarnitine isomer [(M+H)]+ C16H30NO4 299.209075 C18rt(min)=7.6 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0709 Nonenoylcarnitine isomer [(M+H)]+ C16H30NO4 299.209075 C18rt(min)=7.9 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0708 Nonenoylcarnitine isomer [(M+H)]+ C16H30NO4 299.209075 C18rt(min)=7.6 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0709 Nonenoylcarnitine isomer [(M+H)]+ C16H30NO4 299.209075 C18rt(min)=7.9 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ026650 Curassavine C16H29NO4 299.209658 NA MeJP NA NA +MJ026651 2,6,8,12-Hexadecatetraen-10-ynoic acid, 2-Methylpropylamide C20H29NO 299.224914 NA MeJP NA NA +MJ026652 2-Undecyl-4(1H)-quinolinone C20H29NO 299.224914 NA MeJP NA NA +MJ026653 7-Hexadecen-10-ynoic acid, Pyrrolide C20H29NO 299.224914 NA MeJP NA NA +MJ026654 Azitine C20H29NO 299.224914 NA MeJP NA NA +MJ026655 Fischerellin B C20H29NO 299.224914 NA MeJP NA NA +MJ026656 Gemazocine C20H29NO 299.224914 NA MeJP NA NA +MJ026657 Ibazocine C20H29NO 299.224914 NA MeJP NA NA +MJ026658 Leptophyllin B C17H33NO3 299.246043 NA MeJP NA NA +MJ026659 3-Isocyano-3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraene C21H33N 299.2613 NA MeJP NA NA +C00319 Sphingosine C18H37NO2 299.2824 NA KEGG NA NA +C02934 3-Dehydrosphinganine C18H37NO2 299.2824 NA KEGG NA NA +C16512 Palmitoylethanolamide C18H37NO2 299.2824 NA KEGG NA NA +MJ026660 3-Dehydrosphinganine C18H37NO2 299.282429 NA MeJP NA NA +MJ026661 Sphingosine C18H37NO2 299.282429 NA MeJP NA NA +MJ026662 2-Amino-4-octadecene-1,3-diol C18H37NO2 299.282429 NA MeJP NA NA +MJ026663 Cassine, 11'-Alcohol C18H37NO2 299.282429 NA MeJP NA NA +MJ026664 Cassine, 6-Epimer, 11'-alcohol C18H37NO2 299.282429 NA MeJP NA NA +MJ026665 Julifloridine C18H37NO2 299.282429 NA MeJP NA NA +MJ026666 Palmidrol C18H37NO2 299.282429 NA MeJP NA NA +MJ026667 Prosafrine C18H37NO2 299.282429 NA MeJP NA NA +MetaCyc02667 3-dehydrosphinganine [3-dehydro-D-sphinganine;3-dehydrosphinganine;KDHS;] C18H37N1O2 299.282429 NA metacyc NA NA +MetaCyc02668 sphingosine [Sphingenine;] C18H37N1O2 299.282429 NA metacyc NA NA +HMDB00252 Sphingosine C18H37NO2 299.28244 http://www.hmdb.ca/metabolites/HMDB00252 PFEM_hmdb_metabocards_urine NA urine +HMDB00252 Sphingosine C18H37NO2 299.28244 http://www.hmdb.ca/metabolites/HMDB00252 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02100 Palmitoylethanolamide C18H37NO2 299.28244 http://www.hmdb.ca/metabolites/HMDB02100 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00252 Sphingosine C18H37NO2 299.28244 http://www.hmdb.ca/metabolites/HMDB00252 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00252 Sphingosine C18H37NO2 299.28244 http://www.hmdb.ca/metabolites/HMDB00252 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00252 Sphingosine C18H37NO2 299.28244 http://www.hmdb.ca/metabolites/HMDB00252 HMDB NA NA +HMDB01480 3-Dehydrosphinganine C18H37NO2 299.28244 http://www.hmdb.ca/metabolites/HMDB01480 HMDB NA NA +HMDB02100 Palmitoylethanolamide C18H37NO2 299.28244 http://www.hmdb.ca/metabolites/HMDB02100 HMDB NA NA +HMDB00252 Sphingosine C18H37NO2 299.28244 http://www.hmdb.ca/metabolites/HMDB00252 PFEM_hmdb_metabocards_blood NA blood +HMDB02100 Palmitoylethanolamide C18H37NO2 299.28244 http://www.hmdb.ca/metabolites/HMDB02100 PFEM_hmdb_metabocards_blood NA blood +HMDB00252 Sphingosine C18H37NO2 299.28244 HMDB00252 PFEM_hmdb_metabocards_official NA NA +HMDB01480 3-Dehydrosphinganine C18H37NO2 299.28244 HMDB01480 PFEM_hmdb_metabocards_official NA NA +HMDB02100 Palmitoylethanolamide C18H37NO2 299.28244 HMDB02100 PFEM_hmdb_metabocards_official NA NA +HMDB00252 Sphingosine C18H37NO2 299.28244 NA HMDB2010 NA NA +HMDB01480 3-Dehydrosphinganine C18H37NO2 299.28244 NA HMDB2010 NA NA +HMDB02100 Palmitoylethanolamide C18H37NO2 299.28244 NA HMDB2010 NA NA +3090 gluten A5 exorphin GYYPT 299.623 MH2+ Inhouse_peptide NA peptide +3614 NA RTPKV 299.681 MH2+ Inhouse_peptide NA peptide +MJ026668 Aplysiapyranoid C C10H15BrCl2O 299.968333 NA MeJP NA NA +MJ026669 2-(4-Bromophenyl)-1,3-indanedione C15H9BrO2 299.978592 NA MeJP NA NA +MJ026670 5-Bromo-2-phenyl-1,3-indanedione C15H9BrO2 299.978592 NA MeJP NA NA +MJ026671 7-Bromo-3,4-dihydro-6,8-dihydroxy-3-propyl-1H-2-benzopyran-1-one C12H13BrO4 299.999721 NA MeJP NA NA +MJ026672 4,7-Dialkyl-1,2,3,5,6-pentathiepanes; 4,7-Bis(2-methylpropyl)-1,2,3,5,6-pentathiepane C10H20S5 300.016854 NA MeJP NA NA +C10394 Pseudopurpurin C15H8O7 300.027 NA KEGG NA NA +FLIEACNS0001 Demethylwedelolactone;Norwedelolactone;Desmethylwedelolactone C15H8O7 300.027 6468-55-9 knapsack NA NA +MJ026673 1,3,4-Trihydroxyanthraquinone-2-carboxylic acid C15H8O7 300.027002 NA MeJP NA NA +MJ026674 1,3,8,9-Tetrahydroxycoumestan C15H8O7 300.027002 NA MeJP NA NA +MJ026675 2,4,8,9-Tetrahydroxycoumestan C15H8O7 300.027002 NA MeJP NA NA +MJ026676 4,5,7-Trihydroxyanthraquinone-2-carboxylic acid C15H8O7 300.027002 NA MeJP NA NA +MJ026677 8-Hydroxy-9-oxo-9H-xanthene-1,3-dicarboxylic acid C15H8O7 300.027002 NA MeJP NA NA +MJ026678 Sulfatrozole C10H12N4O3S2 300.035081 NA MeJP NA NA +C05640 Cinnavalininate C14H8N2O6 300.0382 NA KEGG NA NA +MJ026679 Cinnabarine; 1''-Carboxylic acid C14H8N2O6 300.038235 NA MeJP NA NA +MJ026680 Nifuroquine C14H8N2O6 300.038235 NA MeJP NA NA +MJ026681 Cinnavalininate C14H8N2O6 300.038236 NA MeJP NA NA +HMDB04078 Cinnavalininate C14H8N2O6 300.038239 NA HMDB2010 NA NA +HMDB04078 Cinnavalininate C14H8N2O6 300.03824 http://www.hmdb.ca/metabolites/HMDB04078 HMDB NA NA +HMDB04078 Cinnavalininate C14H8N2O6 300.03824 HMDB04078 PFEM_hmdb_metabocards_official NA NA +MJ026682 3-(3-Chloro-1,2-dihydroxypropyl)-6,8-dihydroxy-1H-2-benzopyran-1-one; 6-Me ether C13H13ClO6 300.040065 NA MeJP NA NA +MJ026683 Phloroscorbinol C12H12O9 300.048131 NA MeJP NA NA +MJ026684 Sulazepam C16H13ClN2S 300.048796 NA MeJP NA NA +MetaCyc02669 polyprenylpyrophosphate [RPP;polyprenyl-PPi;] C9H18O7P2 300.052776 NA metacyc NA NA +C07771 Tazobactam C10H12N4O5S 300.0528 NA KEGG NA NA +C07772 Transferred to D00661 C10H12N4O5S 300.0528 NA KEGG NA NA +MJ026685 Tazobactam C10H12N4O5S 300.05284 NA MeJP NA NA +MJ026686 Itanoxone C17H13ClO3 300.055321 NA MeJP NA NA +JH206 Diosmetin [M+H]+ C16H12O6 300.0628 18.54 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH206 Diosmetin [M+H]+ C16H12O6 300.0628 18.54 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH206 Diosmetin [M+H]+ C16H12O6 300.0628 18.54 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH206 Diosmetin [M+H]+ C16H12O6 300.0628 18.54 Inhousejuil11 NA NA +FL1A3CNS0002 Leptosidin C16H12O6 300.06338 486-214-8 knapsack NA NA +FL1AACNM0001 4,6,3',4'-Tetrahydroxy-5-methylaurone C16H12O6 300.06338 213979-96-5 knapsack NA NA +FL1AACNM0002 4,6,3',4'-Tetrahydroxy-7-methylaurone C16H12O6 300.06338 213979-97-6 knapsack NA NA +FL1ABCNS0001 Rengasin C16H12O6 300.06338 54826-89-0 knapsack NA NA +FL1CPTNS0001 Peltochalcone C16H12O6 300.06338 53766-30-6 knapsack NA NA +FL1CPTNS0002 Mopachalcone C16H12O6 300.06338 38279-57-1 knapsack NA NA +FL1CQUNS0001 Pedicinin C16H12O6 300.06338 08/02/5064 knapsack NA NA +FL2FE8NS0004 5,2'-Dihydroxy-6,7-methylenedioxyflavanone C16H12O6 300.06338 188440-65-5 knapsack NA NA +FL3FA8NS0003 5,7,2'-Trihydroxy-6'-methoxyflavone C16H12O6 300.06338 92519-94-3 knapsack NA NA +FL3FA8NS0011 5,2',6'-Trihydroxy-7-methoxyflavone;2-(2,6-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C16H12O6 300.06338 393825-50-8 knapsack NA NA +FL3FACNM0001 6-Methylluteolin;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methyl-4H-1-benzopyran-4-one C16H12O6 300.06338 79339-18-7 knapsack NA NA +FL3FADNS0001 Chrysoeriol C16H12O6 300.06338 491-71-4 knapsack NA NA +FL3FAENS0001 Diosmetin;5,7,3'-Trihydroxy-4'-methoxyflavone;4'-Methylluteolin C16H12O6 300.06338 520-34-3 knapsack NA NA +FL3FALNS0003 Artocarpetin C16H12O6 300.06338 - knapsack NA NA +FL3FBCNS0001 Luteolin 5-methyl ether C16H12O6 300.06338 58115-29-0 knapsack NA NA +FL3FCCNS0001 Luteolin 7-methyl ether;5,3',4'-Trihydroxy-7-methoxyflavone;7-O-Methylluteolin;2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C16H12O6 300.06338 20243-59-8 knapsack NA NA +FL3FE8NS0001 5,7,2'-Trihydroxy-6-methoxyflavone C16H12O6 300.06338 86926-51-4 knapsack NA NA +FL3FEANS0001 Hispidulin C16H12O6 300.06338 1447-88-7 knapsack NA NA +FL3FEANS0003 Sorbifolin C16H12O6 300.06338 23130-22-5 knapsack NA NA +FL3FEANS0004 Scutellarein 4'-methyl ether C16H12O6 300.06338 6563-66-2 knapsack NA NA +FL3FF8NS0001 5,8,2'-Trihydroxy-7-methoxyflavone C16H12O6 300.06338 77056-20-3 knapsack NA NA +FL3FF8NS0002 Scutevulin C16H12O6 300.06338 80713-32-2 knapsack NA NA +FL3FFANS0002 Isocutellarein 7-methyl ether;5,8,4'-Trihydroxy-7-methoxyflavone C16H12O6 300.06338 56595-23-4 knapsack NA NA +FL3FFANS0003 Isoscutellarein 8-methyl ether;5,7,4'-Trihydroxy-8-methoxyflavone;4'-Hydroxywogonin;8-Methoxyapigenin C16H12O6 300.06338 57096-02-3 knapsack NA NA +FL3FFANS0004 Takakin;5,7,8-Trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C16H12O6 300.06338 51876-19-8 knapsack NA NA +FL4DE9NS0002 3,5-Dihydroxy-6,7-methylenedioxyflavanone C16H12O6 300.06338 110204-44-9 knapsack NA NA +FL4DPTNS0001 Peltogynone C16H12O6 300.06338 38279-52-6 knapsack NA NA +FL4DPTNS0002 Mopanone C16H12O6 300.06338 38279-43-5 knapsack NA NA +FL5F1CNS0002 Fisetin 3-methyl ether C16H12O6 300.06338 20870-06-8 knapsack NA NA +FL5F1CNS0003 Geraldol C16H12O6 300.06338 21511-25-1 knapsack NA NA +FL5F1CNS0004 Fisetin 4'-methyl ether C16H12O6 300.06338 57396-72-2 knapsack NA NA +FL5F2ANS0002 6,7,4'-Trihydroxy-3-methoxyflavone;6,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-4H-1-benzopyran-4-one C16H12O6 300.06338 159506-37-3 knapsack NA NA +FL5F3ANS0002 7,8,4'-Trihydroxy-3-methoxyflavone C16H12O6 300.06338 57499-05-5 knapsack NA NA +FL5FA8NS0002 Datin C16H12O6 300.06338 55051-98-4 knapsack NA NA +FL5FA8NS0003 Ptaeroxylol C16H12O6 300.06338 520-13-8 knapsack NA NA +FL5FAANM0001 6-C-Methylkaempferol C16H12O6 300.06338 - knapsack NA NA +FL5FAANM0002 8-C-Methylkaempferol C16H12O6 300.06338 - knapsack NA NA +FL5FABNS0001 Kaempferide C16H12O6 300.06338 491-54-3 knapsack NA NA +FL5FBANS0001 Kaempferol 5-methyl ether C16H12O6 300.06338 22044-80-0 knapsack NA NA +FL5FCANS0001 Rhamnocitrin;3,4',5-Trihydroxy-7-methoxyflavone;7-Methylkaempferol;3,5-Dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C16H12O6 300.06338 569-92-6 knapsack NA NA +FL5FDANS0001 Isokaempferide;Kaempferol 3-methyl ether;5,7,4'-trihydroxy-3-methoxyflavone C16H12O6 300.06338 1592-70-7 knapsack NA NA +FL5FE9NM0001 Isoplatanin C16H12O6 300.06338 114567-38-3 knapsack NA NA +FL5FE9NS0002 Alnusin;3,5,7-Trihydroxy-6-methoxyflavone;6-Methoxygalangin;3,5,7-Trihydroxy-6-methoxy-2-phenyl-4H-1-benzopyran-4-one C16H12O6 300.06338 32483-97-9 knapsack NA NA +FL5FF9NM0001 Platanin C16H12O6 300.06338 114567-39-4 knapsack NA NA +FL5FF9NS0002 8-Hydroxygalangin 3-methyl ether;5,7,8-Trihydroxy-3-methoxyflavone;5,7,8-Trihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one C16H12O6 300.06338 33910-28-0 knapsack NA NA +FL5FF9NS0003 8-Hydroxygalangin 7-methyl ether;3,5,8-Trihydroxy-7-methoxyflavone;3,5,8-Trihydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one C16H12O6 300.06338 32484-00-7 knapsack NA NA +FL5FF9NS0004 3,5,7-Trihydroxy-8-methoxyflavone;8-Methoxygalangin;8-Hydroxygalangin 8-methyl ether;3-Hydroxywogonin;3,5,7-Trihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one C16H12O6 300.06338 5928-42-7 knapsack NA NA +FLIA1GNS0002 Gliricidin C16H12O6 300.06338 72061-64-4 knapsack NA NA +FLIA1LNS0006 Koparin C16H12O6 300.06338 65048-75-1 knapsack NA NA +FLIA1LNS0012 7,2',4'-Trihydroxy-3'-methoxyisoflavone C16H12O6 300.06338 90851-02-8 knapsack NA NA +FLIA3CNS0006 7,8,3'-Trihydroxy-4'-methoxyisoflavone C16H12O6 300.06338 117634-59-0 knapsack NA NA +FLIA4ANS0002 7,8,4'-Trihydroxy-6-methoxyisoflavone C16H12O6 300.06338 113762-90-6 knapsack NA NA +FLIAADNS0001 3'-O-Methylorobol C16H12O6 300.06338 36190-95-1 knapsack NA NA +FLIAAENS0001 Pratensein;5,7,3'-Trihydroxy-4'-methoxyisoflavone C16H12O6 300.06338 2284-31-3 knapsack NA NA +FLIAALNS0001 Cajanin;5,2',4'-Trihydroxy-7-methoxyisoflavone C16H12O6 300.06338 32884-36-9 knapsack NA NA +FLIAALNS0003 2'-Hydroxybiochanin A C16H12O6 300.06338 32884-35-8 knapsack NA NA +FLIABCNS0001 Santal;5,3',4'-Trihydroxy-7-methoxyisoflavone C16H12O6 300.06338 529-60-2 knapsack NA NA +FLIAEANS0003 Tectorigenin;5,7,4'-Trihydroxy-6-methoxyisoflavone C16H12O6 300.06338 548-77-6 knapsack NA NA +FLIAFANS0001 Isotectorigenin;Pseudotectorigenin;5,7,4'-Trihydroxy-8-methoxyisoflavone C16H12O6 300.06338 13111-57-4 knapsack NA NA +FLIB1LNS0001 (3R)-Sophorol;(-)-Sophorol C16H12O6 300.06338 - knapsack NA NA +FLIB1LNS0005 (+)-Sophorol;7,2'-Dihydroxy-4',5'-methylenedioxyisoflavanone C16H12O6 300.06338 524-08-3 knapsack NA NA +FLID2CNS0005 2-Hydroxymaackiain;2,3-Dihydroxy-8,9-methylenedioxypterocarpan C16H12O6 300.06338 128585-10-4 knapsack NA NA +FLID3CNS0001 4-Hydroxymaackiain;3,4-Dihydroxy-8,9-methylenedioxypterocarpan C16H12O6 300.06338 69626-64-8 knapsack NA NA +FLIDHXNS0008 6a-Hydroxymaackiain;6a-Hydroxyinermin;3,6a-Dihydroxy-8,9-methylenedioxypterocarpan C16H12O6 300.06338 14602-93-8 knapsack NA NA +FLII3CNS0001 Sophorafuran A;2-(2,4-Dihydroxy-3-methoxyphenyl)-5,6-methylenedioxybonzofuran C16H12O6 300.06338 79295-81-1 knapsack NA NA +FLNACCNS0001 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin C16H12O6 300.06338 112078-72-5 knapsack NA NA +FLNAFCNS0005 7',3',4'-Trihydroxy-5-methoxy-4-phenylcoumarin C16H12O6 300.06338 121880-19-1 knapsack NA NA +MJ026687 5,7,4'-Trihydroxy-3'-methoxyflavone C16H12O6 300.063388 NA MeJP NA NA +MJ026688 3-Methoxyapigenin C16H12O6 300.063388 NA MeJP NA NA +MJ026689 1,2,3,4-Tetrahydroxyanthraquinone; 2,3-Di-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026690 1,2,3,5-Tetrahydroxy-6-methylanthraquinone; 2-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026691 1,2,3,5-Tetrahydroxyanthraquinone; 1,3-Di-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026692 1,2,3,6-Tetrahydroxyanthraquinone; 1,3-Di-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026693 1,2,3,7-Tetrahydroxyxanthone; 2,3-Methylene, 1,7-di-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026694 1,2,3,8-Tetrahydroxy-6-methylanthraquinone; 3-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026695 1,2,3,8-Tetrahydroxyanthraquinone; 1,3-Di-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026696 1,2,3,8-Tetrahydroxyanthraquinone; 2,3-Di-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026697 1,2,3,8-Tetrahydroxyxanthone; 2,3-Methylene, 1,8-di-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026698 1,2,4,5-Tetrahydroxy-3-methylanthraquinone; 1-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026699 1,2,4,5-Tetrahydroxy-7-methylanthraquinone; 2-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026700 1,2,4,5-Tetrahydroxyanthraquinone; 2,5-Di-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026701 1,2,4,6-Tetrahydroxyanthraquinone; 2,4-Di-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026702 1,2,4,8-Tetrahydroxy-5-methylanthraquinone; 2-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026703 1,2,4,8-Tetrahydroxy-6-methylanthraquinone; 1-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026704 1,2,4,8-Tetrahydroxy-6-methylanthraquinone; 2-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026705 1,2,6,8-Tetrahydroxy-3-methylanthraquinone; 1-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026706 1,2,6,8-Tetrahydroxy-3-methylanthraquinone; 6-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026707 1,3,4,5-Tetrahydroxy-2-methylanthraquinone; 4-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026708 1,3,5,6-Tetrahydroxy-2-methylanthraquinone; 6-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026709 1,3,5,8-Tetrahydroxy-2-methylanthraquinone; 5-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026710 1,3,5-Trihydroxy-2-hydroxymethylanthraquinone; 1-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026711 1,3,6,7-Tetrahydroxy-2-methylanthraquinone; 7-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026712 1,3,6,7-Tetrahydroxyanthraquinone; 6,7-Di-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026713 1,3,6,8-Tetrahydroxy-2-methylanthraquinone; 6-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026714 1,3,6-Trihydroxy-2-hydroxymethylanthraquinone; 6-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026715 1,3,8-Trihydroxy-6-hydroxymethylanthraquinone; 1-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026716 1,3,8-Trihydroxy-6-hydroxymethylanthraquinone; 3-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026717 1,3,8-Trihydroxy-6-hydroxymethylanthraquinone; 8-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026718 1,4,5,7-Tetrahydroxy-2-methylanthraquinone; 5-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026719 1,4,5,7-Tetrahydroxy-2-methylanthraquinone; 7-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026720 1,4,5,8-Tetrahydroxy-2,6-dimethylanthraquinone C16H12O6 300.063388 NA MeJP NA NA +MJ026721 1,4,6,8-Tetrahydroxy-2-methylanthraquinone; 6-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026722 1,5,8-Trihydroxy-2-(hydroxymethyl)anthraquinone; 1-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026723 2',3',4',7-Tetrahydroxyisoflavone; 3'-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026724 2',3',4',7-Tetrahydroxyisoflavone; 4'-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026725 2',3,5,7-Tetrahydroxyflavone; 7-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026726 2',4',5',7-Tetrahydroxyisoflavanone; Opt. active-form, 4',5'-Methylene ether C16H12O6 300.063388 NA MeJP NA NA +MJ026727 2',4',5,7-Tetrahydroxyflavone; 2'-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026728 2',4',5,7-Tetrahydroxyflavone; 7-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026729 2',4',5,7-Tetrahydroxyisoflavone; 4'-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026730 2',4',5,7-Tetrahydroxyisoflavone; 5-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026731 2',4',5,7-Tetrahydroxyisoflavone; 7-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026732 2',5,6',7-Tetrahydroxyflavone; 2'-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026733 2',5,6,7-Tetrahydroxyflavanone, 6,7-Methylene ether C16H12O6 300.063388 NA MeJP NA NA +MJ026734 2',5,6,7-Tetrahydroxyflavone; 6-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026735 2',5,6,7-Tetrahydroxyisoflavone; 6-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026736 2',5,7,8-Tetrahydroxyflavone; 8-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026737 2,3,8,9-Tetrahydroxypterocarpan; 8,9-Methylene ether C16H12O6 300.063388 NA MeJP NA NA +MJ026738 2,5,7-Trihydroxy-4H-1-benzopyran-4-one; 2-O-(4-Hydroxyphenyl), 7-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026739 2,5,7-Trihydroxy-4H-1-benzopyran-4-one; 2-O-(4-Methoxyphenyl) C16H12O6 300.063388 NA MeJP NA NA +MJ026740 2,8-Dihydroxyxanthone-1-carboxylic acid; 2-Me ether, Me ester C16H12O6 300.063388 NA MeJP NA NA +MJ026741 2-(2,3-Dihydro-5-methyl-6-oxopyran-2-yl)-5,8-dihydroxy-1,4-naphthoquinone C16H12O6 300.063388 NA MeJP NA NA +MJ026742 2-(2,4-Dihydroxyphenyl)-4,6-dihydroxy-3-benzofurancarboxaldehyde; 6-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026743 2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione; 7-Methoxy, Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026744 3',4',5',7-Tetrahydroxyisoflavone; 4'-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026745 3',4',5,7-Tetrahydroxy-6-methylflavone C16H12O6 300.063388 NA MeJP NA NA +MJ026746 3',4',5,7-Tetrahydroxyisoflavone; 3'-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026747 3',4',5,7-Tetrahydroxyisoflavone; 4'-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026748 3',4',5,7-Tetrahydroxyisoflavone; 7-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026749 3',4',5-Trihydroxy-7-methoxyflavone C16H12O6 300.063388 NA MeJP NA NA +MJ026750 3',4',6,7-Tetrahydroxyaurone; 7-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026751 3',4',7,8-Tetrahydroxyisoflavone; 4'-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026752 3',4',7-Trihydroxy-5-methoxyflavone C16H12O6 300.063388 NA MeJP NA NA +MJ026753 3',4,4',6-Tetrahydroxy-5-methylaurone C16H12O6 300.063388 NA MeJP NA NA +MJ026754 3',4,4',6-Tetrahydroxy-7-methylaurone C16H12O6 300.063388 NA MeJP NA NA +MJ026755 3',4,4',6-Tetrahydroxyaurone; 4-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026756 3',5,6,7-Tetrahydroxyflavone; 6-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026757 3',5,7-Trihydroxy-4'-methoxyflavone C16H12O6 300.063388 NA MeJP NA NA +MJ026758 3,3',4',7-Tetrahydroxyflavone; 3'-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026759 3,3',4',7-Tetrahydroxyflavone; 3-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026760 3,3',4',7-Tetrahydroxyflavone; 4'-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026761 3,3',4',7-Tetrahydroxyflavone; 7-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026762 3,3',5,7-Tetrahydroxyflavone; 3-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026763 3,4',5-Trihydroxy-7-methoxyflavone C16H12O6 300.063388 NA MeJP NA NA +MJ026764 3,4',6,7-Tetrahydroxyflavone; 3-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026765 3,4',7,8-Tetrahydroxyflavone; 3-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026766 3,4',7-Trihydroxy-5-methoxyflavone C16H12O6 300.063388 NA MeJP NA NA +MJ026767 3,4,8,9-Tetrahydroxypterocarpan, 8,9-Methylene ether C16H12O6 300.063388 NA MeJP NA NA +MJ026768 3,5,6,7-Tetrahydroxy-8-methylflavone C16H12O6 300.063388 NA MeJP NA NA +MJ026769 3,5,6,7-Tetrahydroxyflavone; 6-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026770 3,5,7,8-Tetrahydroxy-6-methylflavone C16H12O6 300.063388 NA MeJP NA NA +MJ026771 3,5,7,8-Tetrahydroxyflavone; 3-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026772 3,5,7,8-Tetrahydroxyflavone; 7-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026773 3,5,7,8-Tetrahydroxyflavone; 8-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026774 3,5,7-Trihydroxy-4'-methoxyflavone C16H12O6 300.063388 NA MeJP NA NA +MJ026775 3,6a,8,9-Tetrahydroxypterocarpan, 8,9-Methylene ether C16H12O6 300.063388 NA MeJP NA NA +MJ026776 3,8-Dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid; Me ester C16H12O6 300.063388 NA MeJP NA NA +MJ026777 4',5,6,7-Tetrahydroxyflavone; 7-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026778 4',5,6,7-Tetrahydroxyisoflavone; 7-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026779 4',5,7,8-Tetrahydroxyflavone; 7-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026780 4',5,7,8-Tetrahydroxyflavone; 8-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026781 4',5,7,8-Tetrahydroxyisoflavone; 8-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026782 4',5,7-Trihydroxy-3'-methoxyflavone C16H12O6 300.063388 NA MeJP NA NA +MJ026783 4',5,7-Trihydroxy-3-methoxyflavone C16H12O6 300.063388 NA MeJP NA NA +MJ026784 4',5,7-Trihydroxy-6-methoxyflavone C16H12O6 300.063388 NA MeJP NA NA +MJ026785 4',5,7-Trihydroxy-6-methoxyisoflavone C16H12O6 300.063388 NA MeJP NA NA +MJ026786 4',6,7,8-Tetrahydroxyisoflavone; 6-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026787 4-(2,5-Dihydroxyphenyl)-5,7-dihydroxy-2H-1-benzopyran-2-one; 7-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026788 4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 5-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026789 4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 7-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026790 4-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-2H-1-benzopyran-2-one; 7-Me ether C16H12O6 300.063388 NA MeJP NA NA +MJ026791 5,6,7-Trihydroxy-4'-methoxyflavone C16H12O6 300.063388 NA MeJP NA NA +MJ026792 5,6-Dihydroxy-2-(2,3,4-trihydroxyphenyl)benzofuran; 3'-Me, 5,6-methylene ether C16H12O6 300.063388 NA MeJP NA NA +MJ026793 5,7,8-Trihydroxy-4'-methoxyflavone C16H12O6 300.063388 NA MeJP NA NA +MJ026794 7-Hydroxy-9-methyl-6-oxo-6H-oxepino[2,3-b][1]benzopyran-5-carboxylic acid; Me ester C16H12O6 300.063388 NA MeJP NA NA +MJ026795 Caesalpin P C16H12O6 300.063388 NA MeJP NA NA +MJ026796 Isoshekkangenin C16H12O6 300.063388 NA MeJP NA NA +MJ026797 Kalafungin C16H12O6 300.063388 NA MeJP NA NA +MJ026798 Pedicinin C16H12O6 300.063388 NA MeJP NA NA +MJ026799 Peltochalcone C16H12O6 300.063388 NA MeJP NA NA +MJ026800 Peltogynol, 4-Ketone C16H12O6 300.063388 NA MeJP NA NA +MJ026801 Pinselic acid; Me ester C16H12O6 300.063388 NA MeJP NA NA +MJ026802 Protogenkwanin; 4'-Ketone C16H12O6 300.063388 NA MeJP NA NA +MJ026803 Salicyloylsalicylic acid; Ac C16H12O6 300.063388 NA MeJP NA NA +MJ026804 Sydowinin A C16H12O6 300.063388 NA MeJP NA NA +MJ026805 Yurinelide C16H12O6 300.063388 NA MeJP NA NA +MJ026806 3',4',5,6,7-Pentahydroxyflavylium(1+); 5-Me ether C16H13O6(+) 300.063388 NA MeJP NA NA +MJ026807 3,3',5,7-Tetrahydroxy-4'-methoxyflavylium(1+) C16H13O6(+) 300.063388 NA MeJP NA NA +MJ026808 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+) C16H13O6(+) 300.063388 NA MeJP NA NA +MetaCyc02670 (+)-6a-hydroxymaackiain [] C16H12O6 300.063388 NA metacyc NA NA +MetaCyc02671 (-)-sophorol [] C16H12O6 300.063388 NA metacyc NA NA +MetaCyc02672 pratensein [pratensin;3'-hydroxy-biochanin A;] C16H12O6 300.063388 NA metacyc NA NA +MetaCyc02673 5,7,4'-trihydroxy-3'-methoxyflavone [3'-O-methylluteolin;chrysoeriol;] C16H12O6 300.063388 NA metacyc NA NA +C04293 Chrysoeriol C16H12O6 300.0634 NA KEGG NA NA +C05902 3-Methoxyapigenin C16H12O6 300.0634 NA KEGG NA NA +C08651 Leptosidin C16H12O6 300.0634 NA KEGG NA NA +C10038 Diosmetin C16H12O6 300.0634 NA KEGG NA NA +C10058 Hispidulin C16H12O6 300.0634 NA KEGG NA NA +C10098 Kaempferide C16H12O6 300.0634 NA KEGG NA NA +C10203 Cajanin C16H12O6 300.0634 NA KEGG NA NA +C10520 Pratensein C16H12O6 300.0634 NA KEGG NA NA +C10534 Tectorigenin C16H12O6 300.0634 NA KEGG NA NA +C12135 2'-Hydroxybiochanin A C16H12O6 300.0634 NA KEGG NA NA +C16227 (+)-Sophorol C16H12O6 300.0634 NA KEGG NA NA +C16228 (-)-Sophorol C16H12O6 300.0634 NA KEGG NA NA +C16230 (+)-6a-Hydroxymaackiain C16H12O6 300.0634 NA KEGG NA NA +C17059 Rhamnocitrin C16H12O6 300.0634 NA KEGG NA NA +C17811 Questinol C16H12O6 300.0634 NA KEGG NA NA +MJ026809 Clobazam C16H13ClN2O2 300.066555 NA MeJP NA NA +MJ026810 Oxazepam, N-Me C16H13ClN2O2 300.066555 NA MeJP NA NA +MJ026811 Tolnidamine C16H13ClN2O2 300.066555 NA MeJP NA NA +C11566 3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-[1,2,4]oxadiazole C16H13ClN2O2 300.0666 NA KEGG NA NA +MJ026812 2-Aminoquinoxaline; N-(4-Aminobenzenesulfonyl) C14H12N4O2S 300.068096 NA MeJP NA NA +MJ026813 3-Ribofuranosyluric acid; ?-D-form C10H12N4O7 300.070598 NA MeJP NA NA +MJ026814 9-Ribofuranosyluric acid; ?-D-form C10H12N4O7 300.070598 NA MeJP NA NA +MetaCyc02674 urate-3-ribonucleoside [urate-ribonucleoside;urate-D-ribonucleoside;urate 3-ribonucleoside;] C10H12N4O7 300.070599 NA metacyc NA NA +C05513 Urate-3-ribonucleoside C10H12N4O7 300.0706 NA KEGG NA NA +MJ026815 Majapolone C14H21BrO2 300.072492 NA MeJP NA NA +C13414 Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate C15H17O3S 300.0796 NA KEGG NA NA +C13415 n-Butyl-2-cyanoacrylate C15H17O3S 300.0796 NA KEGG NA NA +C04812 1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol 4-phosphate C7H17N4O7P 300.0835 NA KEGG NA NA +C11351 N1-Amidinostreptamine 6-phosphate C7H17N4O7P 300.0835 NA KEGG NA NA +C03993 4-(beta-D-Glucosyloxy)benzoate C13H16O8 300.0845 NA KEGG NA NA +MJ026816 2-Hydroxybenzoic acid; O-?-D-Glucopyranoside C13H16O8 300.084517 NA MeJP NA NA +MJ026817 3,4-Dihydroxybenzaldehyde; 4-O-?-D-Glucopyranoside C13H16O8 300.084517 NA MeJP NA NA +MJ026818 4-Hydroxybenzoic acid; O-?-D-Glucopyranoside C13H16O8 300.084517 NA MeJP NA NA +MJ026819 Fukiic acid, Di-Me ester C13H16O8 300.084517 NA MeJP NA NA +MetaCyc02675 4-(β-D-glucosyloxy)benzoate [] C13H16O8 300.084517 NA metacyc NA NA +MJ026820 Boxazomycin A; 1''-Deoxy C14H12N4O4 300.085854 NA MeJP NA NA +MJ026821 Boxazomycin A; 5-Deoxy C14H12N4O4 300.085854 NA MeJP NA NA +CJneg0503 Phenylacetylglutamine [(M+Cl)]- C13H16ClN2O4 300.088225 C18rt(min)=5.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0503 Phenylacetylglutamine [(M+Cl)]- C13H16ClN2O4 300.088225 C18rt(min)=5.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ026822 Irloxacin C16H13FN2O3 300.09102 NA MeJP NA NA +MJ026823 Lomevactone C18H17ClO2 300.091707 NA MeJP NA NA +FL1C1CNS0006 2',4'-Dihydroxy-3,4-dimethoxychalcone C17H16O5 300.09977 4315-88-2 knapsack NA NA +FL1C3ANS0003 Kukulkanin A C17H16O5 300.09977 124704-82-1 knapsack NA NA +FL1C3ANS0004 Heliannone A;2',4-Dihydroxy-3',4'-dimethoxychalcone C17H16O5 300.09977 193411-10-8 knapsack NA NA +FL1CBANS0002 2',4'-Dihydroxy-4,6'-dimethoxychalcone C17H16O5 300.09977 855740-21-5 knapsack NA NA +FL1CCBNS0001 Gymnogrammene C17H16O5 300.09977 20621-49-2 knapsack NA NA +FL1CDANS0001 4,4'-Dihydroxy-2',6'-dimethoxychalcone C17H16O5 300.09977 123316-64-3 knapsack NA NA +FL1CDANS0002 Flavokawin C C17H16O5 300.09977 37308-75-1 knapsack NA NA +FL1CE9NS0001 Pashanone C17H16O5 300.09977 42438-78-8 knapsack NA NA +FL1CE9NS0002 2',4'-Dihydroxy-3',6'-dimethoxychalcone C17H16O5 300.09977 54299-50-2 knapsack NA NA +FL1CE9NS0003 2',3'-Dihydroxy-4',6'-dimethoxychalcone C17H16O5 300.09977 54299-64-8 knapsack NA NA +FL1CRTNS0005 2,4-Dihydroxy-6,4'-dimethoxychalcone C17H16O5 300.09977 103461-95-6 knapsack NA NA +FL1CUNNS0002 Methylliderone C17H16O5 300.09977 3984-73-4 knapsack NA NA +FL1DA9NM0003 3'-Formyl-2',4',6'-trihydroxy-5'-methyldihydrochalcone C17H16O5 300.09977 133034-13-6 knapsack NA NA +FL2FAANM0002 Farrerol C17H16O5 300.09977 24211-30-1 knapsack NA NA +FL2FABNM0002 5,7-Dihydroxy-4'-methoxy-8-methylflavanone C17H16O5 300.09977 109248-40-0 knapsack NA NA +FL2FBBNS0001 Tsugafolin C17H16O5 300.09977 66568-97-6 knapsack NA NA +FL2FCANM0002 (2R)-5,4'-Dihydroxy-7-methoxy-6-methylflavanone C17H16O5 300.09977 206561-00-4 knapsack NA NA +FL2FCANM0003 5,4'-Dihydroxy-7-methoxy-8-methylflavanone C17H16O5 300.09977 329360-15-8 knapsack NA NA +FL2FCBNS0001 Naringenin 7,4'-dimethyl ether C17H16O5 300.09977 29424-96-2 knapsack NA NA +FL2FDANS0001 Naringenin 5,7-dimethyl ether C17H16O5 300.09977 72704-06-4 knapsack NA NA +FL2FE9NS0003 Onysilin C17H16O5 300.09977 73695-94-0 knapsack NA NA +FL2FE9NS0004 6-Hydroxy-5,7-dimethoxyflavanone C17H16O5 300.09977 75041-40-6 knapsack NA NA +FL2FF9NS0003 5-Hydroxy-7,8-dimethoxyflavanone C17H16O5 300.09977 113981-49-0 knapsack NA NA +FL2FF9NS0004 8-Hydroxy-5,7-dimethoxyflavanone C17H16O5 300.09977 75041-38-2 knapsack NA NA +FL2FHYNM0001 2,5-Dihydroxy-7-methoxy-6-methylflavanone C17H16O5 300.09977 186906-54-7 knapsack NA NA +FL2FHYNM0002 2,5-Dihydroxy-7-methoxy-8-methylflavanone C17H16O5 300.09977 186906-53-6 knapsack NA NA +FL4DA9NS0005 (2R.3R)-3-Hydroxy-5,7-dimethoxyflavanone;(2R,3R)-5,7-Di-O-methylpinobanksin C17H16O5 300.09977 67335-36-8 knapsack NA NA +FL4DA9NS0011 (2R,3S)-3-Hydroxy-5,7-dimethoxyflavanone;cis-3-Hydroxy-5,7-dimethoxyflavanone C17H16O5 300.09977 693253-07-5 knapsack NA NA +FL6F1LNS0001 2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan C17H16O5 300.09977 95587-89-6 knapsack NA NA +FLIB1CNS0002 3'-Methoxydihydroformononetin;7-Hydroxy-3',4'-dimethoxyisoflavanone C17H16O5 300.09977 83206-83-1 knapsack NA NA +FLIB1LNS0004 Sativanone;7-Hydroxy-2',4'-dimethoxyisoflavanone C17H16O5 300.09977 70561-31-8 knapsack NA NA +FLIB1LNS0006 Isosativanone;2'-Hydroxy-7,4'-dimethoxyisoflavanone C17H16O5 300.09977 82829-55-8 knapsack NA NA +FLIC1LNS0009 Astraciceran;7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflavan C17H16O5 300.09977 72026-91-6 knapsack NA NA +FLICWXNS0005 2'-O-Methylsepiol;7,3'-Dihydroxy-2',4'-dimethoxyisoflavene C17H16O5 300.09977 62078-14-2 knapsack NA NA +FLICWXNS0006 Haginin A;7,4'-Dihydroxy-2',3'-dimethoxyisoflavene C17H16O5 300.09977 74174-29-1 knapsack NA NA +FLICWXNS0008 Odoriflavene;7,2'-Dihydroxy-3',4'-dimethoxyisoflav-3-ene C17H16O5 300.09977 101153-41-7 knapsack NA NA +FLICWXNS0009 7,2'-Dihydroxy-8,4'-dimethoxyisoflav-3-ene C17H16O5 300.09977 124901-96-8 knapsack NA NA +FLID1CNS0005 Methylnissolin;3-Hydroxy-9,10-dimethoxypterocarpan C17H16O5 300.09977 73340-41-7 knapsack NA NA +FLID1CNS0008 (6aR,11aR)-8-Hydroxy-3,9-dimethoxypterocarpan C17H16O5 300.09977 108335-31-5 knapsack NA NA +FLID1LNS0004 Fruticarpin;7-Hydroxy-3,9-dimethoxypterocarpan C17H16O5 300.09977 89647-66-5 knapsack NA NA +FLID2ANS0001 (-)-Sparticarpin C17H16O5 300.09977 73793-85-8 knapsack NA NA +FLID2ANS0002 2-Methoxymedicarpin C17H16O5 300.09977 56752-00-2 knapsack NA NA +FLID3ANS0001 4-Hydroxyhomopterocarpin;Melilotocarpan A C17H16O5 300.09977 61135-95-3 knapsack NA NA +FLID3ANS0004 4-Methoxymedicarpin;3-Hydroxy-4,9-dimethoxypterocarpan C17H16O5 300.09977 14756-82-2 knapsack NA NA +FLIDHXNS0005 (-)-Variabilin;Homopisatin;6a-Hydroxy-3,9-dimethoxypterocarpan C17H16O5 300.09977 3187-52-8 knapsack NA NA +FLIDHYNS0003 Sophoracarpan A;(6R,6aS,11aR)-3-Hydroxy-6,9-dimethoxypterocarpan C17H16O5 300.09977 104700-87-0 knapsack NA NA +FLII1CNS0005 Methylsainfuran;2-(2',4'-Dimethoxyphenyl)-5-hydroxy-6-methoxybenzofuran C17H16O5 300.09977 94190-37-1 knapsack NA NA +FLND2CNS0001 (S)-3'-Hydroxy-4,4'-dimethoxydalbergione C17H16O5 300.09977 41043-22-5 knapsack NA NA +FLND4ANS0001 (R)-4'-Hydroxy-3,4-dimethoxydalbergione C17H16O5 300.09977 69471-24-5 knapsack NA NA +MJ026824 1,2,5,6,7-Phenanthrenepentol; 1,5,6-Tri-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026825 1,2,5,6,7-Phenanthrenepentol; 1,5,7-Tri-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026826 1,6,10-Trihydroxy-2,8,10-trimethyl-9(10H)-anthracenone; 1'-Hydroxy C17H16O5 300.099773 NA MeJP NA NA +MJ026827 1,7-Bis(hydroxymethyl)-3,6,9-phenanthrenetriol; 9-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026828 1-(2-Furanyl)-7-nonene-3,5-diyne-1,2-diol, Di-Ac C17H16O5 300.099773 NA MeJP NA NA +MJ026829 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, 3',4'-Di-Me, 3'',4''-methylene ether C17H16O5 300.099773 NA MeJP NA NA +MJ026830 1-Phenyl-3-(2,4,6-trihydroxy-3-methylphenyl)-1,3-propanedione; 7-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026831 1-Phenyl-3-(2,4,6-trihydroxy-5-methylphenyl)-1,3-propanedione; 7-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026832 2',3',4',6'-Tetrahydroxychalcone; 3',4'-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026833 2',3',4',6'-Tetrahydroxychalcone; 3',6'-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026834 2',3',4',6'-Tetrahydroxychalcone; 4',6'-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026835 2',3',4',7-Tetrahydroxyisoflavene; 2',3'-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026836 2',3',4',7-Tetrahydroxyisoflavene; 2',4'-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026837 2',3',4',7-Tetrahydroxyisoflavene; 3',4'-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026838 2',3',4,4'-Tetrahydroxychalcone, 3',4'-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026839 2',3',4,4'-Tetrahydroxychalcone, 3',4-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026840 2',3,4,4'-Tetrahydroxychalcone; 3,4-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026841 2',4',5',7-Tetrahydroxyflavan, 7-Me, 4',5'-methylene ether C17H16O5 300.099773 NA MeJP NA NA +MJ026842 2',4',5',7-Tetrahydroxyisoflavan, 2'-Me, 4',5'-methylene ether C17H16O5 300.099773 NA MeJP NA NA +MJ026843 2',4',7,8-Tetrahydroxyisoflavene; 4',8-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026844 2',4',7-Trihydroxyisoflavanone, 2',4'-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026845 2',4',7-Trihydroxyisoflavanone, 4',7-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026846 2',4,4',6'-Tetrahydroxychalcone; 2',4'-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026847 2',4,4',6'-Tetrahydroxychalcone; 2',4-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026848 2',4,4',6'-Tetrahydroxychalcone; 2',6'-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026849 2',4,4',6'-Tetrahydroxychalcone; 4,4'-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026850 2',5,7-Trihydroxy-6,8-dimethylflavanone C17H16O5 300.099773 NA MeJP NA NA +MJ026851 2,3,4,5,9-Phenanthrenepentol; 3,4,9-Tri-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026852 2,3,4,6,7-Phenanthrenepentol; 2,3,6-Tri-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026853 2,3,4,6,7-Phenanthrenepentol; 2,4,6-Tri-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026854 2,3,4,6,7-Phenanthrenepentol; 2,4,7-Tri-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026855 2,3,4,6,7-Phenanthrenepentol; 3,4,6-Tri-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026856 2,3,4,6,7-Phenanthrenepentol; 3,4,7-Tri-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026857 2,3,4,7,9-Phenanthrenepentol; 3,4,9-Tri-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026858 2,3,9-Trihydroxypterocarpan; 2,3-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026859 2,3,9-Trihydroxypterocarpan; 2,9-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026860 2,3-Epoxy-3-prenyl-1,4-naphthoquinone-2-carboxylic acid; Me ester C17H16O5 300.099773 NA MeJP NA NA +MJ026861 2,4,4',6-Tetrahydroxychalcone, 4',6-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026862 2,4,5,9,10-Phenanthrenepentol; 4,9,10-Tri-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026863 2,4,6-Trihydroxy-3-methyl-5-(1-oxo-3-phenylpropyl)benzaldehyde C17H16O5 300.099773 NA MeJP NA NA +MJ026864 2-(2,4-Dihydroxyphenyl)-5,6-dihydroxybenzofuran; 2',4',6-Tri-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026865 3',4',7-Trihydroxyisoflavanone, 3',4'-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026866 3,4,9-Trihydroxypterocarpan; 3,9-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026867 3,4,9-Trihydroxypterocarpan; 4,9-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026868 3,4-Dihydro-5,7-dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one, 4',7-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026869 3,4-Dimethoxydalbergione, 4'-Hydroxy C17H16O5 300.099773 NA MeJP NA NA +MJ026870 3,5,7-Trihydroxyflavanone, 5,7-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026871 3,6,9-Trihydroxypterocarpan, 6,9-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026872 3,6a,9-Trihydroxypterocarpan; 3,9-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026873 3,7,9-Trihydroxypterocarpan, 3,9-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026874 3,7-Dihydroxy-1,9-dimethyl-2-dibenzofurancarboxylic acid; 7-Me ether, Me ester C17H16O5 300.099773 NA MeJP NA NA +MJ026875 3,7-Dihydroxy-1,9-dimethyl-2-dibenzofurancarboxylic acid; Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026876 3,8,9-Trihydroxypterocarpan; 3,9-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026877 3,8,9-Trihydroxypterocarpan; 8,9-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026878 3,9,10-Trihydroxypterocarpan, 3,9-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026879 3,9,10-Trihydroxypterocarpan, 9,10-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026880 3-Hydroxydehydroiso-?-lapachone, 6-Methoxy, Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026881 4',5,7-Trihydroxy-6,8-dimethylflavanone C17H16O5 300.099773 NA MeJP NA NA +MJ026882 4',5,7-Trihydroxy-6-methylflavanone, 7-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026883 4',5,7-Trihydroxy-8-methylflavanone, 4'-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026884 4',5,7-Trihydroxy-8-methylflavanone, 7-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026885 4',5,7-Trihydroxy-8-methylisoflavanone; 4'-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026886 4',5,7-Trihydroxyflavanone, 4',5-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026887 4',5,7-Trihydroxyflavanone, 4',7-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026888 4',5,7-Trihydroxyflavanone, 5,7-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026889 4',7,8-Trihydroxyflavanone, 7,8-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026890 4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; 4-O-(3-Methyl-2-butenyl), 9-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026891 4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; 9-O-(1,1-Dimethyl-2-propenyl), 4-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026892 4-Methoxydalbergione, 3'-Hydroxy, 4'-methoxy C17H16O5 300.099773 NA MeJP NA NA +MJ026893 5,6,7-Trihydroxyflavanone, 5,7-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026894 5,6,7-Trihydroxyflavanone, 6,7-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026895 5,6-Dihydroxy-2H-furo[2,3-h]-1-benzopyran-2-one; 5-Me ether, 6-O-(3-methyl-2-butenyl) C17H16O5 300.099773 NA MeJP NA NA +MJ026896 5,7,8-Trihydroxyflavanone, 7,8-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026897 5,7,8-Trihydroxyflavanone, 5,7-Di-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026898 5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 4'-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026899 5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 5-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026900 6-Methoxy-5-(3-methyl-2-butenyl)-2H-furo[2,3-h][1]benzopyran-2-one; 4'-Hydroxy C17H16O5 300.099773 NA MeJP NA NA +MJ026901 8-(2-Acetoxy-3-methyl-1,3-butadienyl)-7-methoxy-2H-1-benzopyran-2-one C17H16O5 300.099773 NA MeJP NA NA +MJ026902 8-Methyltoralactone; 10-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026903 Alloimperatorin; 2',3'-Epoxide, Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026904 Alloisoimperatorin; 2',3'-Epoxide, Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026905 Alloisoimperatorin; ?1'-Isomer, 3'-hydroxy, 5-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026906 Asperxanthone; 5-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026907 Brazilin, 3'-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026908 Comaparvin C17H16O5 300.099773 NA MeJP NA NA +MJ026909 Dehydroiso-?-lapachone, 5,6-Dimethoxy C17H16O5 300.099773 NA MeJP NA NA +MJ026910 Flavidin; 1,3-Dimethoxy C17H16O5 300.099773 NA MeJP NA NA +MJ026911 Flavidin; 8-Methoxy, 6-hydroxy, 7-Me ether C17H16O5 300.099773 NA MeJP NA NA +MJ026912 Frutescin; 1'-Acetoxy C17H16O5 300.099773 NA MeJP NA NA +MJ026913 Methyllinderone C17H16O5 300.099773 NA MeJP NA NA +MJ026914 Mollugin; 3-Hydroxy C17H16O5 300.099773 NA MeJP NA NA +MJ026915 Ophiopogonone B; 2,3-Dihydro, 4'-O-de-Me C17H16O5 300.099773 NA MeJP NA NA +MJ026916 Phellopterin C17H16O5 300.099773 NA MeJP NA NA +MJ026917 Phyllodulcin, 3'-Me ether C17H16O5 300.099773 NA MeJP NA NA +MetaCyc02676 flavokawin [] C17H16O5 300.099774 NA metacyc NA NA +C09734 Farrerol C17H16O5 300.0998 NA KEGG NA NA +C10251 Coelogin C17H16O5 300.0998 NA KEGG NA NA +C10461 4-Hydroxyhomopterocarpin C17H16O5 300.0998 NA KEGG NA NA +C10531 (-)-Sparticarpin C17H16O5 300.0998 NA KEGG NA NA +C10539 (-)-Variabilin C17H16O5 300.0998 NA KEGG NA NA +C17047 Phellopterin C17H16O5 300.0998 NA KEGG NA NA +C17416 Astrapterocarpan C17H16O5 300.0998 NA KEGG NA NA +C17503 Cnidilin C17H16O5 300.0998 NA KEGG NA NA +MJ026918 Etifoxin C17H17ClN2O 300.10294 NA MeJP NA NA +CJneg0504 Pentose [(2M-H)]- C10H19O10 300.106225 C18rt(min)=0.95 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0504 Pentose [(2M-H)]- C10H19O10 300.106225 C18rt(min)=0.95 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ026919 -Bromo-4(15)-eudesmen-11-ol C15H25BrO 300.108878 NA MeJP NA NA +MJ026920 #NOM? C15H25BrO 300.108878 NA MeJP NA NA +MJ026921 1-Bromo-3-eudesmen-6-ol C15H25BrO 300.108878 NA MeJP NA NA +MJ026922 1-Bromo-4(15)-eudesmen-11-ol C15H25BrO 300.108878 NA MeJP NA NA +MJ026923 1-Bromo-4(15)-eudesmen-6-ol C15H25BrO 300.108878 NA MeJP NA NA +MJ026924 1-Bromo-7-eudesmen-4-ol C15H25BrO 300.108878 NA MeJP NA NA +MJ026925 2-Bromo-11-eudesmen-5-ol C15H25BrO 300.108878 NA MeJP NA NA +MJ026926 2-Bromo-6-eudesmen-5-ol C15H25BrO 300.108878 NA MeJP NA NA +MJ026927 3-Bromo-11-eudesmen-5-ol C15H25BrO 300.108878 NA MeJP NA NA +MJ026928 7-Acetyl-4-bromo-1-isopropyl-3a-methylindane C15H25BrO 300.108878 NA MeJP NA NA +MJ026929 ?-Snyderol C15H25BrO 300.108878 NA MeJP NA NA +MJ026930 Caparrapioxide; 9-Epimer, 2?-bromo C15H25BrO 300.108878 NA MeJP NA NA +MJ026931 Neomeranol C15H25BrO 300.108878 NA MeJP NA NA +MJ026932 Oppositol C15H25BrO 300.108878 NA MeJP NA NA +C13705 5-Nitro-2-(3-phenylpropylamino)benzoic acid C16H16N2O4 300.111 NA KEGG NA NA +MJ026933 1-(?-Carbolin-1-yl)-3,4,5-trihydroxy-1-pentanone C16H16N2O4 300.111007 NA MeJP NA NA +MJ026934 2,5-Diamino-3-methoxy-6-(3-phenylpropanoyl)-1,4-benzoquinone C16H16N2O4 300.111007 NA MeJP NA NA +MJ026935 5-Nitro-2-[(3-phenylpropyl)amino]benzoic acid C16H16N2O4 300.111007 NA MeJP NA NA +MJ026936 7-Amino-1-hydroxymethyl-6-methyl-5,8-isoquinolinedione; O-Angeloyl C16H16N2O4 300.111007 NA MeJP NA NA +MJ026937 Pyridindolol, 16-Ac C16H16N2O4 300.111007 NA MeJP NA NA +MJ026938 Vertilecanine A, Glycine amide, Me ester C16H16N2O4 300.111007 NA MeJP NA NA +MJ026939 Illicinone E; 2?,3-Dihydro, 12-deoxy, 12-chloro C15H21ClO4 300.112836 NA MeJP NA NA +C06046 Salidroside C14H20O7 300.1209 NA KEGG NA NA +MJ026940 2-(2-Hydroxyphenyl)ethanol; O-?-D-Glucopyranoside C14H20O7 300.120902 NA MeJP NA NA +MJ026941 2-(4-Hydroxyphenyl)ethanol; 1-O-?-D-Glucopyranoside C14H20O7 300.120902 NA MeJP NA NA +MJ026942 2-(4-Hydroxyphenyl)ethanol; 4'-O-?-D-Glucopyranoside C14H20O7 300.120902 NA MeJP NA NA +MJ026943 4-Hydroxybenzyl alcohol; 4-Me ether, O-?-D-glucopyranoside C14H20O7 300.120902 NA MeJP NA NA +MJ026944 Grahamimycin B C14H20O7 300.120902 NA MeJP NA NA +MJ026945 Salicin; 1''-Me ether C14H20O7 300.120902 NA MeJP NA NA +MJ026946 Synparvolide C C14H20O7 300.120902 NA MeJP NA NA +MJ026947 Melquinast C15H16N4O3 300.12224 NA MeJP NA NA +MJ026948 4-Amino-5-chloro-2-hydroxybenzoic acid; Me ether, 2-(diethylamino)ethyl ester C14H21ClN2O3 300.12407 NA MeJP NA NA +MJ026949 Actinobolin C13H20N2O6 300.132136 NA MeJP NA NA +FL1DA9NM0002 2'-Hydroxy-4',6'-dimethoxy-3'-methyldihydrochalcone C18H20O4 300.13615 65349-37-3 knapsack NA NA +FL1DA9NM0004 Myrigalon B C18H20O4 300.13615 34328-55-7 knapsack NA NA +FL1DA9NM0005 Angoletin C18H20O4 300.13615 76444-55-8 knapsack NA NA +FL1DQUNM0001 2,2,4-Trimethyl-6-(1-oxo-3-phenylpropyl)-1,3,5-cyclohexanetrione C18H20O4 300.13615 34328-57-9 knapsack NA NA +FL6FDANM0001 4'-Hydroxy-5,7-dimethoxy-8-methylflavan C18H20O4 300.13615 - knapsack NA NA +FL6FDBNS0001 5,7,4'-Trimethoxyflavan C18H20O4 300.13615 4225-32-5 knapsack NA NA +FLNC28NS0002 5-O-Methyllatifolin;(R)-2'-Hydroxy-2,4,5-trimethoxydalbergiquinol C18H20O4 300.13615 18525-14-9 knapsack NA NA +MJ026950 1-(2,6-Dihydroxyphenyl)-5-phenyl-1-pentanone; 4'-Methoxy C18H20O4 300.136159 NA MeJP NA NA +MJ026951 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, Tetra-Me ether C18H20O4 300.136159 NA MeJP NA NA +MJ026952 1-(4-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, Tetra-Me ether C18H20O4 300.136159 NA MeJP NA NA +MJ026953 17,18-Dihydroxy-9,11,13,15-octadecatetraynoic acid C18H20O4 300.136159 NA MeJP NA NA +MJ026954 2,2,4-Trimethyl-6-(1-oxo-3-phenylpropyl)-1,3,5-cyclohexanetrione C18H20O4 300.136159 NA MeJP NA NA +MJ026955 2,3,4,7-Phenanthrenetetrol; 9,10-Dihydro, tetra-Me ether C18H20O4 300.136159 NA MeJP NA NA +MJ026956 3',4,4',5-Tetrahydroxy-2,7'-cyclolignan C18H20O4 300.136159 NA MeJP NA NA +MJ026957 3,4,4'-Trihydroxy-7,7'-epoxylignan C18H20O4 300.136159 NA MeJP NA NA +MJ026958 3-Phenyl-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-propanone; 4'-Me ester C18H20O4 300.136159 NA MeJP NA NA +MJ026959 3-Phenyl-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-propanone; 6'-Me ether C18H20O4 300.136159 NA MeJP NA NA +MJ026960 3-Phenyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-propanone; 4',6'-Di-Me ether C18H20O4 300.136159 NA MeJP NA NA +MJ026961 3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; Tri-Me ether C18H20O4 300.136159 NA MeJP NA NA +MJ026962 4',5,7-Trihydroxy-8-methylflavan, 5,7-Di-Me ether C18H20O4 300.136159 NA MeJP NA NA +MJ026963 4',5,7-Trihydroxyflavan, Tri-Me ether C18H20O4 300.136159 NA MeJP NA NA +MJ026964 4',5,7-Trihydroxyhomoisoflavan; 5,7-Di-Me ether C18H20O4 300.136159 NA MeJP NA NA +MJ026965 4,6,12-Tetradecatriene-8,10-diyne-1,3-diol, Di-Ac C18H20O4 300.136159 NA MeJP NA NA +MJ026966 5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran; 1''-Oxo C18H20O4 300.136159 NA MeJP NA NA +MJ026967 6-Acetyl-2,3-dihydro-2,2-dimethyl-8-(3-methyl-1-oxobutenyl)-4H-benzopyran-4-one C18H20O4 300.136159 NA MeJP NA NA +MJ026968 6-Tetradecene-8,10,12-triyne-1,5-diol, Di-Ac C18H20O4 300.136159 NA MeJP NA NA +MJ026969 7-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-8-en-3-ol, 3-Methylbutanoyl C18H20O4 300.136159 NA MeJP NA NA +MJ026970 Bitalin A, O-Angeloyl C18H20O4 300.136159 NA MeJP NA NA +MJ026971 Dalbergiphenol, 3'-Hydroxy, 5-Me ether C18H20O4 300.136159 NA MeJP NA NA +MJ026972 Demethylcacalohastine; 3?-Acetoxy, Me ether C18H20O4 300.136159 NA MeJP NA NA +MJ026973 Domohinone C18H20O4 300.136159 NA MeJP NA NA +MJ026974 Latifolin, 5-Me ether C18H20O4 300.136159 NA MeJP NA NA +MJ026975 Leysseral; Angeloyl C18H20O4 300.136159 NA MeJP NA NA +MJ026976 Magnolignan B; 4',7-Dideoxy, 6'-hydroxy C18H20O4 300.136159 NA MeJP NA NA +MJ026977 Magnolignan B; 7-Deoxy C18H20O4 300.136159 NA MeJP NA NA +MJ026978 Mycosinol; 4-Deoxy, 2,3-dihydro, 2-(3-methylbutanoyloxy) C18H20O4 300.136159 NA MeJP NA NA +MJ026979 Octandrenolone C18H20O4 300.136159 NA MeJP NA NA +MJ026980 Thujin C18H20O4 300.136159 NA MeJP NA NA +MJ026981 Tricholomenyne A C18H20O4 300.136159 NA MeJP NA NA +MJ026982 Villostyrene C18H20O4 300.136159 NA MeJP NA NA +C08981 Toxyl angelate C18H20O4 300.1362 NA KEGG NA NA +C14739 alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol C18H20O4 300.1362 NA KEGG NA NA +MJ026983 Chlorcyclizine C18H21ClN2 300.139326 NA MeJP NA NA +MJ026984 Clomacran C18H21ClN2 300.139326 NA MeJP NA NA +MJ026985 Nelezaprine C18H21ClN2 300.139326 NA MeJP NA NA +MJ026986 Sulfoorientalol C C15H24O4S 300.139529 NA MeJP NA NA +PJ000209 GPQ C12H20N4O5 300.1434 NA PeJP NA NA +MJ026987 N,N'-Bis(3-methoxybenzyl)urea C17H20N2O3 300.147392 NA MeJP NA NA +MJ026988 N,N'-Dibenzylurea; 4'',4'''-Dimethoxy C17H20N2O3 300.147392 NA MeJP NA NA +MJ026989 Phlegmariurine M C17H20N2O3 300.147392 NA MeJP NA NA +MJ026990 Salacin C17H20N2O3 300.147392 NA MeJP NA NA +C15179 1,1-Diphenyl-2-(4-methoxyphenyl)propene C22H20O 300.1514 NA KEGG NA NA +MJ026991 3,4-Dihydroxy-1,7-dioxaspiro[4.4]nonan-8-one; 4-Octanoyl C15H24O6 300.157288 NA MeJP NA NA +MJ026992 4,5-Bis(hydroxymethyl)-2-methyl-1,3-benzenediol; O3-Me, O1-(2,3-dihydroxy-3-methylbutyl) C15H24O6 300.157288 NA MeJP NA NA +MJ026993 4-(1,2,3-Trihydroxypropyl)-2(5H)-furanone; 3'-Octanoyl C15H24O6 300.157288 NA MeJP NA NA +MJ026994 Cycloparvifloralone C15H24O6 300.157288 NA MeJP NA NA +MJ026995 Debenzoyltashironin; 2?-Hydroxy, 8-alcohol C15H24O6 300.157288 NA MeJP NA NA +MJ026996 Floridanolide; 4?,14-Dihydroxy, 10-deoxy C15H24O6 300.157288 NA MeJP NA NA +MJ026997 Syringolide 2 C15H24O6 300.157288 NA MeJP NA NA +MJ026998 Azapropazone C16H20N4O2 300.158625 NA MeJP NA NA +3506 ACE inhibitor GKP 300.167 ACE inhibitor Inhouse_peptide NA peptide +C02197 Testolactone C19H24O3 300.1725 NA KEGG NA NA +C05285 Adrenosterone C19H24O3 300.1725 NA KEGG NA NA +C05297 19-Oxoandrost-4-ene-3,17-dione C19H24O3 300.1725 NA KEGG NA NA +C05299 2-Methoxyestrone C19H24O3 300.1725 NA KEGG NA NA +C14587 11alpha-Hydroxyandrosta-1,4-diene-3,17-dione C19H24O3 300.1725 NA KEGG NA NA +C14909 9alpha-Hydroxyandrosta-1,4-diene-3,17-dione C19H24O3 300.1725 NA KEGG NA NA +C15150 14-Hydroxyandrosta-1,4-diene-3,17-dione C19H24O3 300.1725 NA KEGG NA NA +C15200 9beta,11beta-Epoxyandrost-4-ene-3,17-dione C19H24O3 300.1725 NA KEGG NA NA +C15295 17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one C19H24O3 300.1725 NA KEGG NA NA +C15386 D-Homo-17a-oxaandrosta-4,6-diene-3,17-dione C19H24O3 300.1725 NA KEGG NA NA +C15406 5alpha-Androst-1-ene-3,11,17-trione C19H24O3 300.1725 NA KEGG NA NA +MJ026999 19-Oxoandrost-4-ene-3,17-dione C19H24O3 300.172544 NA MeJP NA NA +MJ027000 3-Oxo-13,17-secoandrost-4-ene-17,13alpha-lactone C19H24O3 300.172544 NA MeJP NA NA +MJ027001 2-Methoxyestrone C19H24O3 300.172544 NA MeJP NA NA +MJ027002 Adrenosterone C19H24O3 300.172544 NA MeJP NA NA +MJ027003 1,4-Epoxy-p-menthan-2-ol, Cinnamoyl C19H24O3 300.172544 NA MeJP NA NA +MJ027004 1,7-Diphenyl-1,3,5-heptanetriol C19H24O3 300.172544 NA MeJP NA NA +MJ027005 1,9,16-Heptadecatriene-4,6-diyn-3-ol, 9,10-Epoxide, Ac C19H24O3 300.172544 NA MeJP NA NA +MJ027006 1,9,16-Heptadecatriene-4,6-diyne-3,8-diol, 8-Ac C19H24O3 300.172544 NA MeJP NA NA +MJ027007 1,9-Heptadecadiene-4,6-diyne-3,8-diol, 3-Ketone, 8-Ac C19H24O3 300.172544 NA MeJP NA NA +MJ027008 11,12-Dihydroxy-20-nor-5(10),8,11,13-abietatetraen-1-one C19H24O3 300.172544 NA MeJP NA NA +MJ027009 11-Hydroxyandrosta-1,4-diene-3,17-dione; 11?-form C19H24O3 300.172544 NA MeJP NA NA +MJ027010 12-Hydroxyandrosta-1,4-diene-3,17-dione; 12?-form C19H24O3 300.172544 NA MeJP NA NA +MJ027011 14-Hydroxy-5,10,12-tetradecatrien-8-ynal, Angeloyl C19H24O3 300.172544 NA MeJP NA NA +MJ027012 16-Nor-15-oxo-7,13-abietadien-19,6-olide C19H24O3 300.172544 NA MeJP NA NA +MJ027013 16-Nor-15-oxo-8,11,13-abietatrien-19-oic acid C19H24O3 300.172544 NA MeJP NA NA +MJ027014 17-Nor-15-oxo-8,11,13-abietatrien-18-oic acid C19H24O3 300.172544 NA MeJP NA NA +MJ027015 19-Nor-1,3,5(10),15-rosatetraene-2,18-diol; ent-form, 18-Carboxylic acid C19H24O3 300.172544 NA MeJP NA NA +MJ027016 2,4,4'-Trihydroxylignan; 2-Me ether C19H24O3 300.172544 NA MeJP NA NA +MJ027017 2,6-Dihydroxy-19-nor-1,4,15-beyeratrien-3-one C19H24O3 300.172544 NA MeJP NA NA +MJ027018 2,8,10-Heptadecatriene-4,6-diyne-1,14-diol, 1-Ac C19H24O3 300.172544 NA MeJP NA NA +MJ027019 2,8,10-Heptadecatriene-4,6-diyne-1,14-diol, 14-Ac C19H24O3 300.172544 NA MeJP NA NA +MJ027020 2,9,16-Heptadecatriene-4,6-diyne-1,11-diol, 1-Ac C19H24O3 300.172544 NA MeJP NA NA +MJ027021 2-(3-Methyl-2-butenyl)-5-(2-phenylethyl)-1,3-benzenediol; 2'',3''-Dihydro, 3''-hydroxy C19H24O3 300.172544 NA MeJP NA NA +MJ027022 2-Bornanol, O-(4-Hydroxycinnamoyl)(E-) C19H24O3 300.172544 NA MeJP NA NA +MJ027023 2-Bornanol, O-(4-Hydroxycinnamoyl)(Z-) C19H24O3 300.172544 NA MeJP NA NA +MJ027024 2-Hydroxyandrosta-1,4-diene-3,16-dione C19H24O3 300.172544 NA MeJP NA NA +MJ027025 3-Hydroxy-19-nor-3,13(16),14-spongiatrien-2-one C19H24O3 300.172544 NA MeJP NA NA +MJ027026 4-Hydroxy-3,5-diprenylcinnamic acid C19H24O3 300.172544 NA MeJP NA NA +MJ027027 6-Hydroxyandrosta-1,4-diene-3,17-dione C19H24O3 300.172544 NA MeJP NA NA +MJ027028 Acalycixeniolide B; 6?,7?-Epoxide, 10,11E-didehydro C19H24O3 300.172544 NA MeJP NA NA +MJ027029 Androst-4-ene-3,11,17-trione C19H24O3 300.172544 NA MeJP NA NA +MJ027030 Auroglaucin; 1',2'-Dihydro C19H24O3 300.172544 NA MeJP NA NA +MJ027031 Auroglaucin; 5',6'-Dihydro C19H24O3 300.172544 NA MeJP NA NA +MJ027032 Calelepin; O-(3-Methyl-2-butenoyl) C19H24O3 300.172544 NA MeJP NA NA +MJ027033 Centrolobol C19H24O3 300.172544 NA MeJP NA NA +MJ027034 Dichroanone C19H24O3 300.172544 NA MeJP NA NA +MJ027035 Faveline; 4?,5?-Epoxide, Me ether C19H24O3 300.172544 NA MeJP NA NA +MJ027036 Favelol C19H24O3 300.172544 NA MeJP NA NA +MJ027037 Furanoeremophil-1(10)-en-6-ol, 6-(2-Methylpropenoyl) C19H24O3 300.172544 NA MeJP NA NA +MJ027038 Margolone C19H24O3 300.172544 NA MeJP NA NA +MJ027039 Miltipolone C19H24O3 300.172544 NA MeJP NA NA +MJ027040 Nimbosodione C19H24O3 300.172544 NA MeJP NA NA +MJ027041 Testolactone C19H24O3 300.172544 NA MeJP NA NA +MJ027042 p-Menth-1-ene-8,9-diol, 9-Cinnamoyl C19H24O3 300.172544 NA MeJP NA NA +HMDB00010 2-Methoxyestrone C19H24O3 300.172546 NA HMDB2010 NA NA +HMDB06768 19-Oxoandrost-4-ene-3,17-dione C19H24O3 300.172546 NA HMDB2010 NA NA +HMDB06772 Adrenosterone C19H24O3 300.172546 NA HMDB2010 NA NA +HMDB11195 2-Hydroxy-3-methoxyestrone C19H24O3 300.172546 NA HMDB2010 NA NA +HMDB00010 2-Methoxyestrone C19H24O3 300.17255 http://www.hmdb.ca/metabolites/HMDB00010 PFEM_hmdb_metabocards_urine NA urine +HMDB00010 2-Methoxyestrone C19H24O3 300.17255 http://www.hmdb.ca/metabolites/HMDB00010 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00010 2-Methoxyestrone C19H24O3 300.17255 http://www.hmdb.ca/metabolites/HMDB00010 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00010 2-Methoxyestrone C19H24O3 300.17255 http://www.hmdb.ca/metabolites/HMDB00010 HMDB NA NA +HMDB06768 19-Oxoandrost-4-ene-3,17-dione C19H24O3 300.17255 http://www.hmdb.ca/metabolites/HMDB06768 HMDB NA NA +HMDB06772 Adrenosterone C19H24O3 300.17255 http://www.hmdb.ca/metabolites/HMDB06772 HMDB NA NA +HMDB00010 2-Methoxyestrone C19H24O3 300.17255 HMDB00010 PFEM_hmdb_metabocards_official NA NA +HMDB06768 19-Oxoandrost-4-ene-3,17-dione C19H24O3 300.17255 HMDB06768 PFEM_hmdb_metabocards_official NA NA +HMDB06772 Adrenosterone C19H24O3 300.17255 HMDB06772 PFEM_hmdb_metabocards_official NA NA +MJ027043 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-[4-(1H-1,2,4-triazol-1-yl)butyl]pyridine C17H21FN4 300.175024 NA MeJP NA NA +PJ000210 GPK C13H24N4O4 300.1798 NA PeJP NA NA +MJ027044 1,4-Butanediamine; N-Cinnamoyl(E-), N'-tigloyl C18H24N2O2 300.183778 NA MeJP NA NA +MJ027045 Nupharine C18H24N2O2 300.183778 NA MeJP NA NA +MJ027046 Odorine C18H24N2O2 300.183778 NA MeJP NA NA +MJ027047 Achaetolide C16H28O5 300.193674 NA MeJP NA NA +EUR403 Retinoic acid F1 C20H28O1 300.207075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR403 Acide retinoique F1 NA 300.207075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR403 Retinoic acid F1 C20H28O1 300.207075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR403 Acide retinoique F1 NA 300.207075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR403 Retinoic acid F1 C20H28O1 300.207075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR403 Acide retinoique F1 NA 300.207075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR403 Retinoic acid F1 C20H28O1 300.207075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR403 Retinoic acid F1 C20H28O1 300.207075 standards wishlist analysés sur QTOF HMDB NA NA +EUR403 Retinoic acid F1 C20H28O1 300.207075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR403 Acide retinoique F1 NA 300.207075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR403 Retinoic acid F1 C20H28O1 300.207075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR403 Retinoic acid F1 C20H28O1 300.207075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR084 Retinoic acid C20H28O2 300.2089 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR084 Retinoic acid C20H28O2 300.2089 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR084 Retinoic acid C20H28O2 300.2089 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR084 Retinoic acid C20H28O2 300.2089 Wishlist Inhousejuil11 NA NA +C00777 Retinoate C20H28O2 300.2089 NA KEGG NA NA +C00778 Rhodopsin C20H28R 300.2089 NA KEGG NA NA +C09188 Spruceanol C20H28O2 300.2089 NA KEGG NA NA +C12078 Dehydroabietic acid C20H28O2 300.2089 NA KEGG NA NA +C14489 19-Norprogesterone C20H28O2 300.2089 NA KEGG NA NA +C14652 19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha,17beta-diol C20H28O2 300.2089 NA KEGG NA NA +C14684 17beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one C20H28O2 300.2089 NA KEGG NA NA +C14925 17beta-Hydroxy-2-methylandrost-1,4-dien-3-one C20H28O2 300.2089 NA KEGG NA NA +C15263 A-Norpregn-3(5)-ene-2,20-dione C20H28O2 300.2089 NA KEGG NA NA +C15307 17beta-Hydroxy-7alpha-methylandrost-1,4-diene-3-one C20H28O2 300.2089 NA KEGG NA NA +C15353 17alpha-Methyl-17beta-hydroxyandrosta-4,6-dien-3-one C20H28O2 300.2089 NA KEGG NA NA +C15493 9-cis-Retinoic acid C20H28O2 300.2089 NA KEGG NA NA +C16683 4-Oxoretinol C20H28O2 300.2089 NA KEGG NA NA +C16684 N-Acetoxyarylamine C20H28O2 300.2089 NA KEGG NA NA +C16685 N-Hydroxyarylamine C20H28O2 300.2089 NA KEGG NA NA +C16687 Phosphomannan mannosephosphate C12H23O14P 300.2089 NA KEGG NA NA +C18195 11-cis-3-Hydroxyretinal C20H28O2 300.2089 NA KEGG NA NA +C18196 all-trans-3-Hydroxyretinal C20H28O2 300.2089 NA KEGG NA NA +C18197 Oxyntomodulin C20H28O2 300.2089 NA KEGG NA NA +C18198 Proadrenomedullin N-terminal 20 peptide C20H28O2 300.2089 NA KEGG NA NA +C18199 Cathelicidin C20H28O2 300.2089 NA KEGG NA NA +C18200 Erythropoietin C20H28O2 300.2089 NA KEGG NA NA +C18201 Prolactin C20H28O2 300.2089 NA KEGG NA NA +HMDB02369 9-cis-Retinoic acid C20H28O2 300.20892 http://www.hmdb.ca/metabolites/HMDB02369 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06219 13-cis-Retinoic acid C20H28O2 300.20892 http://www.hmdb.ca/metabolites/HMDB06219 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02369 9-cis-Retinoic acid C20H28O2 300.20892 http://www.hmdb.ca/metabolites/HMDB02369 HMDB NA NA +HMDB06219 13-cis-Retinoic acid C20H28O2 300.20892 http://www.hmdb.ca/metabolites/HMDB06219 HMDB NA NA +HMDB02369 9-cis-Retinoic acid C20H28O2 300.20892 http://www.hmdb.ca/metabolites/HMDB02369 PFEM_hmdb_metabocards_blood NA blood +HMDB06219 13-cis-Retinoic acid C20H28O2 300.20892 http://www.hmdb.ca/metabolites/HMDB06219 PFEM_hmdb_metabocards_blood NA blood +HMDB02369 9-cis-Retinoic acid C20H28O2 300.20892 HMDB02369 PFEM_hmdb_metabocards_official NA NA +HMDB06219 13-cis-Retinoic acid C20H28O2 300.20892 HMDB06219 PFEM_hmdb_metabocards_official NA NA +HMDB01852 Retinoic acid C20H28O2 300.208923 NA HMDB2010 NA NA +HMDB02369 9-cis-Retinoic acid C20H28O2 300.208923 NA HMDB2010 NA NA +HMDB06219 13-cis-Retinoic acid C20H28O2 300.208923 NA HMDB2010 NA NA +HMDB12329 4-Oxoretinol C20H28O2 300.208923 NA HMDB2010 NA NA +EUR084 Retinoic acid C20H28O2 300.20893 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR084 Retinoic acid C20H28O2 300.20893 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR084 Retinoic acid C20H28O2 300.20893 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR084 Retinoic acid C20H28O2 300.20893 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR084 Retinoic acid C20H28O2 300.20893 Wishlist HMDB NA NA +EUR084 Retinoic acid C20H28O2 300.20893 Wishlist Inhouse_PFEM NA NA +MJ027048 Retinoate C20H28O2 300.20893 NA MeJP NA NA +MJ027049 1(10),8,11,13-Icetexatetraen-12-ol; ?10(20)-Isomer, 1?-hydroxy C20H28O2 300.20893 NA MeJP NA NA +MJ027050 1(10),8,11,13-Iretexatetraene-11,12-diol C20H28O2 300.20893 NA MeJP NA NA +MJ027051 1(15),3,7,11-Cembratetraen-16,2-olide C20H28O2 300.20893 NA MeJP NA NA +MJ027052 1(19),6,10(17),13-Xenicatetraen-18,17-olide C20H28O2 300.20893 NA MeJP NA NA +MJ027053 1(19),6,10,13-Xenicatetraen-17,18-olide C20H28O2 300.20893 NA MeJP NA NA +MJ027054 1(19),6,10,13-Xenicatetraen-18,17-olide C20H28O2 300.20893 NA MeJP NA NA +MJ027055 1(19),6,11,13-Xenicatetraen-17,18-olide C20H28O2 300.20893 NA MeJP NA NA +MJ027056 1,20-Epoxy-1,3(20),6,10,14-phytapentaen-13-one C20H28O2 300.20893 NA MeJP NA NA +MJ027057 10(20),16-Grayanotoxadien-19-oic acid C20H28O2 300.20893 NA MeJP NA NA +MJ027058 11-Hydroxy-7,9(11),13-abietatrien-12-one C20H28O2 300.20893 NA MeJP NA NA +MJ027059 11-Hydroxy-8,11,13-cleistanthatrien-7-one C20H28O2 300.20893 NA MeJP NA NA +MJ027060 11-Hydroxy-8,15-isopimaradien-7-one; 11?-form, 11-Ketone C20H28O2 300.20893 NA MeJP NA NA +MJ027061 12-Ethyl-13-methoxy-8,11,13-podocarpatrien-3-one C20H28O2 300.20893 NA MeJP NA NA +MJ027062 12-Hydroxy-8,11,13-abietatrien-1-one C20H28O2 300.20893 NA MeJP NA NA +MJ027063 12-Hydroxy-8,11,13-abietatrien-7-one C20H28O2 300.20893 NA MeJP NA NA +MJ027064 12-Oxo-7,13-abietadien-19-al C20H28O2 300.20893 NA MeJP NA NA +MJ027065 13(16),14-Spongiadien-19-al C20H28O2 300.20893 NA MeJP NA NA +MJ027066 13,15-Cassadiene-3,12-dione C20H28O2 300.20893 NA MeJP NA NA +MJ027067 14-Hydroxy-3,5(10),11-cyathatrien-15-al; 14?-form C20H28O2 300.20893 NA MeJP NA NA +MJ027068 14-Hydroxy-8,11,13-abietatrien-3-one C20H28O2 300.20893 NA MeJP NA NA +MJ027069 14-Hydroxy-8,11,13-abietatrien-7-one C20H28O2 300.20893 NA MeJP NA NA +MJ027070 14-Oxo-3,11-cyathadien-15-al C20H28O2 300.20893 NA MeJP NA NA +MJ027071 15,16-Epoxy-3,13(16),14-clerodatrien-17-ol; ent-form, 17-Aldehyde C20H28O2 300.20893 NA MeJP NA NA +MJ027072 15,16-Epoxy-3,13(16),14-clerodatrien-18-ol, 18-Aldehyde C20H28O2 300.20893 NA MeJP NA NA +MJ027073 15,16-Epoxy-3,13(16),14-clerodatrien-19-al; ent-form C20H28O2 300.20893 NA MeJP NA NA +MJ027074 15,16-Epoxy-3,13(16),14-clerodatrien-2-one C20H28O2 300.20893 NA MeJP NA NA +MJ027075 15,16-Epoxy-8(17),11,13(16),14-labdatetraen-6-ol C20H28O2 300.20893 NA MeJP NA NA +MJ027076 15,16-Epoxy-8(17),11,13(16),14-labdatetraen-7-ol C20H28O2 300.20893 NA MeJP NA NA +MJ027077 15,16-Epoxy-8(17),13(16),14-labdatrien-19-oic acid, 19-Aldehyde C20H28O2 300.20893 NA MeJP NA NA +MJ027078 15,16-Epoxy-8(17),13(16),14-labdatrien-2-ol, 2-Ketone C20H28O2 300.20893 NA MeJP NA NA +MJ027079 15,16-Epoxy-8,13(16),14-labdatrien-7-one C20H28O2 300.20893 NA MeJP NA NA +MJ027080 15-Beyerene-2,12-dione; ent-form C20H28O2 300.20893 NA MeJP NA NA +MJ027081 15-Beyerene-3,12-diol, 3,12-Diketone C20H28O2 300.20893 NA MeJP NA NA +MJ027082 15-Kauren-19,20-olide; ent-form C20H28O2 300.20893 NA MeJP NA NA +MJ027083 16-Atisene-3,14-dione; ent-form C20H28O2 300.20893 NA MeJP NA NA +MJ027084 18-Nor-8,11,13-abietatrien-4-ol; 4-Epimer, formyl C20H28O2 300.20893 NA MeJP NA NA +MJ027085 19-Norpregn-4-en-20-yne-3,17-diol C20H28O2 300.20893 NA MeJP NA NA +MJ027086 19-Norpregn-4-ene-3,20-dione C20H28O2 300.20893 NA MeJP NA NA +MJ027087 2,12-Cyathadiene-1,8-diol, Diketone C20H28O2 300.20893 NA MeJP NA NA +MJ027088 2,15-Valparadiene-1,4-dione C20H28O2 300.20893 NA MeJP NA NA +MJ027089 2,7-Fusicoccadiene-4,12-dione C20H28O2 300.20893 NA MeJP NA NA +MJ027090 2-Hydroxy-1,15-beyeradien-3-one; ent-form C20H28O2 300.20893 NA MeJP NA NA +MJ027091 2-Hydroxy-2,15-beyeradien-1-one; ent-form C20H28O2 300.20893 NA MeJP NA NA +MJ027092 2-Hydroxy-8,11,13-abietatrien-7-one; 2?-form C20H28O2 300.20893 NA MeJP NA NA +MJ027093 20-Hydroxy-8,11,13-cleistanthatrien-7-one C20H28O2 300.20893 NA MeJP NA NA +MJ027094 3,11,14-Prenyleudesmatriene-2,13-dione C20H28O2 300.20893 NA MeJP NA NA +MJ027095 3,7,11,15(17)-Cembratetraen-16,14-olide C20H28O2 300.20893 NA MeJP NA NA +MJ027096 3,7,11,15(17)-Cembratetraen-16,2-olide C20H28O2 300.20893 NA MeJP NA NA +MJ027097 3,7,18-Dolabellatrien-17,6-olide C20H28O2 300.20893 NA MeJP NA NA +MJ027098 5,8-Epoxyvitamin A; 15-Aldehyde C20H28O2 300.20893 NA MeJP NA NA +MJ027099 6,16-Kauradien-19-oic acid; ent-form C20H28O2 300.20893 NA MeJP NA NA +MJ027100 6,8(14),15-Isopimaratrien-18-oic acid C20H28O2 300.20893 NA MeJP NA NA +MJ027101 6,8(17),13-Labdatrien-15,16-olide; ent-form C20H28O2 300.20893 NA MeJP NA NA +MJ027102 6,8,11,13-Abietatetraene-12,16-diol C20H28O2 300.20893 NA MeJP NA NA +MJ027103 6-Hydroxy-16-kauren-19-oic acid, Lactone C20H28O2 300.20893 NA MeJP NA NA +MJ027104 7,13,15-Abietatrien-18-oic acid C20H28O2 300.20893 NA MeJP NA NA +MJ027105 7,20-Epoxy-8,11,13-abietatrien-12-ol C20H28O2 300.20893 NA MeJP NA NA +MJ027106 7-Hydroxy-8,13-abietadien-19-al; 7?-form, 7-Ketone C20H28O2 300.20893 NA MeJP NA NA +MJ027107 8(14),15-Isopimaradiene-3,7-diol, Diketone C20H28O2 300.20893 NA MeJP NA NA +MJ027108 8(14),15-Pimaradiene-3,12-diol, 3,12-Diketone C20H28O2 300.20893 NA MeJP NA NA +MJ027109 8(17),11,13-Labdatrien-16,15-olide C20H28O2 300.20893 NA MeJP NA NA +MJ027110 8(17),12,14-Labdatrien-19,6-olide C20H28O2 300.20893 NA MeJP NA NA +MJ027111 8,11,13,15-Cleistanthatetraene-3,12-diol C20H28O2 300.20893 NA MeJP NA NA +MJ027112 8,11,13-Abietatrien-18-oic acid C20H28O2 300.20893 NA MeJP NA NA +MJ027113 8,11,13-Abietatrien-19-ol; 19-Carboxylic acid C20H28O2 300.20893 NA MeJP NA NA +MJ027114 8,11,13-Abietatriene-12,18-diol; 18-Aldehyde C20H28O2 300.20893 NA MeJP NA NA +MJ027115 8,11,13-Abietatriene-12,20-diol; 20-Aldehyde C20H28O2 300.20893 NA MeJP NA NA +MJ027116 8,11,13-Abietatriene-2,12-diol; 2?-form, 6,7-Didehydro C20H28O2 300.20893 NA MeJP NA NA +MJ027117 8,11,13-Abietatriene-3,12-diol; 3?-form, 3-Ketone C20H28O2 300.20893 NA MeJP NA NA +MJ027118 8,11,13-Abietatriene-6,12-diol; 6?-form, 6-Ketone C20H28O2 300.20893 NA MeJP NA NA +MJ027119 8,11,13-Abietatriene-7,15-diol, 7-Ketone C20H28O2 300.20893 NA MeJP NA NA +MJ027120 8,11,13-Abietatriene-7,19-diol; 7?-form, 19-Aldehyde C20H28O2 300.20893 NA MeJP NA NA +MJ027121 8,11,13-Cleistanthatrien-17-ol; 17-Carboxylic acid C20H28O2 300.20893 NA MeJP NA NA +MJ027122 8,11,13-Cleistanthatrien-19-ol; 19-Carboxylic acid C20H28O2 300.20893 NA MeJP NA NA +MJ027123 8,11,13-Totaratriene-13,19-diol; 19-Aldehyde C20H28O2 300.20893 NA MeJP NA NA +MJ027124 8,11,13-Totaratriene-3,13-diol, 3-Ketone C20H28O2 300.20893 NA MeJP NA NA +MJ027125 8,13-Abietadien-19-oic acid; 15,16-Didehydro C20H28O2 300.20893 NA MeJP NA NA +MJ027126 8,13-Abietadiene-11,12-dione C20H28O2 300.20893 NA MeJP NA NA +MJ027127 9(11),15-Beyeradien-19-oic acid; ent-form C20H28O2 300.20893 NA MeJP NA NA +MJ027128 9(11),16-Kauradien-19-oic acid; ent-form C20H28O2 300.20893 NA MeJP NA NA +MJ027129 9(11),16-Kauradiene-6,15-diol, 15-Ketone C20H28O2 300.20893 NA MeJP NA NA +MJ027130 9(11),16-Kauradiene-6,15-diol, 6-Ketone C20H28O2 300.20893 NA MeJP NA NA +MJ027131 9(11)-Trachyloben-19-oic acid; ent-form C20H28O2 300.20893 NA MeJP NA NA +MJ027132 9,10-Seco-8,11,13-abietatrien-18,10-olide C20H28O2 300.20893 NA MeJP NA NA +MJ027133 9-Hydroxy-1,3,5(14)-isodolastatrien-13-one C20H28O2 300.20893 NA MeJP NA NA +MJ027134 Ambliofuran; 12-Oxo C20H28O2 300.20893 NA MeJP NA NA +MJ027135 Ambliofuran; 8,9E-Didehydro, 18-hydroxy C20H28O2 300.20893 NA MeJP NA NA +MJ027136 Bisocimenone C20H28O2 300.20893 NA MeJP NA NA +MJ027137 Cedronellone C20H28O2 300.20893 NA MeJP NA NA +MJ027138 Coraxeniolide A; 4,12-Didehydro (E-) C20H28O2 300.20893 NA MeJP NA NA +MJ027139 Ghiselinin C20H28O2 300.20893 NA MeJP NA NA +MJ027140 Harziandione C20H28O2 300.20893 NA MeJP NA NA +MJ027141 Isoharziandione C20H28O2 300.20893 NA MeJP NA NA +MJ027142 Jolkinolide E C20H28O2 300.20893 NA MeJP NA NA +MJ027143 Marginatone C20H28O2 300.20893 NA MeJP NA NA +MJ027144 Metandienone C20H28O2 300.20893 NA MeJP NA NA +MJ027145 Nimbosone C20H28O2 300.20893 NA MeJP NA NA +MJ027146 Nordinone C20H28O2 300.20893 NA MeJP NA NA +MJ027147 Norgesterone C20H28O2 300.20893 NA MeJP NA NA +MJ027148 Norvinisterone C20H28O2 300.20893 NA MeJP NA NA +MJ027149 Retinal, 4R-Hydroxy C20H28O2 300.20893 NA MeJP NA NA +MJ027150 Retinoic acid C20H28O2 300.20893 NA MeJP NA NA +MJ027151 Saturol C20H28O2 300.20893 NA MeJP NA NA +MJ027152 Taonianone C20H28O2 300.20893 NA MeJP NA NA +MJ027153 Tebufelone C20H28O2 300.20893 NA MeJP NA NA +MJ027154 Tetrachyrin C20H28O2 300.20893 NA MeJP NA NA +MJ027155 Udoteafuran C20H28O2 300.20893 NA MeJP NA NA +MJ027156 Xeniafaraunol A C20H28O2 300.20893 NA MeJP NA NA +MJ027157 Zoapatlin C20H28O2 300.20893 NA MeJP NA NA +MetaCyc02677 retinoate [Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);tretinoin (English, German) (EINECS);tretinoine (French) (EINECS);3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL);(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid;b-Retinoic acid;2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-;AGN 100335;all-(E)-Retinoic acid;all-trans-b-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Retin A;Retinoic acid, all-trans-;Ro 1-5488;trans-Retinoic acid;Tretin M;Vitamin A acid, all-trans-;Vitamin A1 acid, all-trans-;] C20H28O2 300.20893 302-79-4 metacyc NA NA +EUR084 Retinoic acid C20H28O2 300.20893 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR084 Retinoic acid C20H28O2 300.20893 Wishlist PFEM_hmdb_metabocards_official NA NA +CJpos0710 Nonenoylcarnitine isomer [(M+H)]+ (13C) C1513CH30NO4 300.212475 C18rt(min)=7.9 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0711 Nonenoylcarnitine isomer [(M+H)]+ (13C) C1513CH30NO4 300.212475 C18rt(min)=7.6 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0710 Nonenoylcarnitine isomer [(M+H)]+ (13C) C1513CH30NO4 300.212475 C18rt(min)=7.9 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0711 Nonenoylcarnitine isomer [(M+H)]+ (13C) C1513CH30NO4 300.212475 C18rt(min)=7.6 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ027158 Fastigiatine C19H28N2O 300.220163 NA MeJP NA NA +MJ027159 Hydroxypropyllycodine C19H28N2O 300.220163 NA MeJP NA NA +MJ027160 2,11-Tridecanediol, Di-Ac C17H32O4 300.230059 NA MeJP NA NA +MJ027161 2,12-Tridecanediol, Di-Ac C17H32O4 300.230059 NA MeJP NA NA +MJ027162 2-Dodecyl-3-methylbutanedioic acid C17H32O4 300.230059 NA MeJP NA NA +MJ027163 7,16-Dihydroxy-8-hexadecenoic acid, Me ester C17H32O4 300.230059 NA MeJP NA NA +HMDB11531 MG(0:0/14:1(9Z)/0:0) C17H32O4 300.230072 NA HMDB2010 NA NA +HMDB11562 MG(14:1(9Z)/0:0/0:0) C17H32O4 300.230072 NA HMDB2010 NA NA +C12811 Allylestrenol C21H32O 300.2453 NA KEGG NA NA +C12812 Transferred to D01375 C21H32O 300.2453 NA KEGG NA NA +C12813 Transferred to D01376 C21H32O 300.2453 NA KEGG NA NA +C12814 Transferred to D01377 C21H32O 300.2453 NA KEGG NA NA +C12816 Transferred to D01379 C21H32O 300.2453 NA KEGG NA NA +C12817 Transferred to D01380 C21H32O 300.2453 NA KEGG NA NA +C12818 Transferred to D01381 C21H32O 300.2453 NA KEGG NA NA +C15420 5alpha-Pregn-2-en-20-one C21H32O 300.2453 NA KEGG NA NA +C15431 17-Ethynyl-5alpha-androstan-17beta-ol C21H32O 300.2453 NA KEGG NA NA +MJ027164 3-Pentadecylphenol; 8',9',11',12'-Tetradehydro (Z,Z-) C21H32O 300.245315 NA MeJP NA NA +MJ027165 Allylestrenol C21H32O 300.245315 NA MeJP NA NA +MJ027166 Pregna-5,20-dien-3-ol C21H32O 300.245315 NA MeJP NA NA +MJ027167 18-Fluoro-9-octadecenoic acid C18H33FO2 300.246458 NA MeJP NA NA +C03042 (R)-2-Hydroxystearate C18H36O3 300.2664 NA KEGG NA NA +C03045 (S)-2-Hydroxystearate C18H36O3 300.2664 NA KEGG NA NA +C03195 (R)-10-Hydroxystearate C18H36O3 300.2664 NA KEGG NA NA +MJ027168 10-Hydroxyoctadecanoic acid C18H36O3 300.266445 NA MeJP NA NA +MJ027169 16-Hydroxyoctadecanoic acid C18H36O3 300.266445 NA MeJP NA NA +MJ027170 17-Hydroxyoctadecanoic acid C18H36O3 300.266445 NA MeJP NA NA +MJ027171 18-Hydroxyoctadecanoic acid C18H36O3 300.266445 NA MeJP NA NA +MJ027172 2-Hydroxyoctadecanoic acid C18H36O3 300.266445 NA MeJP NA NA +MJ027173 3-Hydroxyoctadecanoic acid C18H36O3 300.266445 NA MeJP NA NA +MJ027174 9-Hydroxyheptadecanoic acid; Me ether C18H36O3 300.266445 NA MeJP NA NA +MJ027175 9-Hydroxyoctadecanoic acid C18H36O3 300.266445 NA MeJP NA NA +MetaCyc02678 (S)-2-hydroxystearate [] C18H36O3 300.266445 NA metacyc NA NA +MetaCyc02679 R-2-hydroxystearate [] C18H36O3 300.266445 629-22-1 metacyc NA NA +MetaCyc02680 (R)-10-Hydroxystearate [] C18H36O3 300.266445 638-26-6 metacyc NA NA +HMDB10737 (R)-3-Hydroxy-Octadecanoic acid C18H36O3 300.266449 NA HMDB2010 NA NA +MJ027176 Pimaradiene C22H36 300.281701 NA MeJP NA NA +3275 NA RGDSPA 300.63495 MH2+ Inhouse_peptide NA peptide +7678 ACE inhibitor from dried bonito LKPMN 300.65665 MH2+ Inhouse_peptide NA peptide +2629 synthetic fr,of human beta-CN (48-52) ACE inhibitor PLIYP 300.6675 MH2+ Inhouse_peptide NA peptide +MJ027177 2,3,4-Tribromo-1H-pyrrole C4H2Br3N 300.773737 NA MeJP NA NA +MJ027178 5,7-Dibromo-8-hydroxyquinoline C9H5Br2NO 300.873789 NA MeJP NA NA +MJ027179 Eltenac C12H9Cl2NO2S 300.973104 NA MeJP NA NA +MJ027180 2-Carboxy-4,6-dichloro-1H-indole-3-propanoic acid C12H9Cl2NO4 300.990863 NA MeJP NA NA +C15249 2-(3,5-Dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1- C13H13Cl2NO3 301.0272 NA KEGG NA NA +MJ027181 2-Amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid, N,N,N-Tri-Me, betaine C12H16BrNO3 301.031356 NA MeJP NA NA +MetaCyc02681 BAS 110 [] C12H13N3O2CL2 301.038482 NA metacyc NA NA +HMDB00781 N-Acetylgalactosamine 4-sulphate C8H15NO9S 301.04675 http://www.hmdb.ca/metabolites/HMDB00781 HMDB NA NA +HMDB00814 N-Acetylglucosamine 6-sulfate C8H15NO9S 301.04675 http://www.hmdb.ca/metabolites/HMDB00814 HMDB NA NA +HMDB00841 N-Acetylgalactosamine 6-sulfate C8H15NO9S 301.04675 http://www.hmdb.ca/metabolites/HMDB00841 HMDB NA NA +HMDB00781 N-Acetylgalactosamine 4-sulphate C8H15NO9S 301.04675 HMDB00781 PFEM_hmdb_metabocards_official NA NA +HMDB00814 N-Acetylglucosamine 6-sulfate C8H15NO9S 301.04675 HMDB00814 PFEM_hmdb_metabocards_official NA NA +HMDB00841 N-Acetylgalactosamine 6-sulfate C8H15NO9S 301.04675 HMDB00841 PFEM_hmdb_metabocards_official NA NA +HMDB00781 N-Acetylgalactosamine 4-sulphate C8H15NO9S 301.046753 NA HMDB2010 NA NA +HMDB00814 N-Acetylglucosamine 6-sulfate C8H15NO9S 301.046753 NA HMDB2010 NA NA +HMDB00841 N-Acetylgalactosamine 6-sulfate C8H15NO9S 301.046753 NA HMDB2010 NA NA +C03953 N-Acetylglucosamine 4-sulfate C8H15NO9S 301.0468 NA KEGG NA NA +C04132 N-Acetyl-D-glucosamine 6-sulfate C8H15NO9S 301.0468 NA KEGG NA NA +C04255 N-Acetyl-D-galactosamine 6-sulfate C8H15NO9S 301.0468 NA KEGG NA NA +C16265 N-Acetylgalactosamine 4-sulfate C8H15NO9S 301.0468 NA KEGG NA NA +MJ027182 Benoxaprofen C16H12ClNO3 301.05057 NA MeJP NA NA +C13719 Nocodazole C14H11N3O3S 301.0521 NA KEGG NA NA +MJ027183 Nocodazole C14H11N3O3S 301.052111 NA MeJP NA NA +MJ027184 N-Acetyl-D-glucosamine 1-phosphate C8H16NO9P 301.056267 NA MeJP NA NA +MJ027185 N-Acetyl-D-glucosamine 6-phosphate C8H16NO9P 301.056267 NA MeJP NA NA +MJ027186 N-Acetyl-D-mannosamine 6-phosphate C8H16NO9P 301.056267 NA MeJP NA NA +MetaCyc02682 N-acetyl-D-mannosamine-6-phosphate [ManNAc-6-P;N-acetylmannosamine-6-P;N-acetyl-mannosamine-6-P;N-acetyl-D-mannosamine-6-P;N-acetyl-mannosamine-6-phosphate;] C8H16N1O9P1 301.056268 157296-99-6 metacyc NA NA +MetaCyc02683 N-acetyl-glucosamine-1-phosphate [N-acetyl-D-glucosamine 1-phosphate;N-acetyl-α-D-glucosamine 1-phosphate;] C8H16N1O9P1 301.056268 NA metacyc NA NA +MetaCyc02684 N-acetyl-D-galactosamine-6-phosphate [] C8H16N1O9P1 301.056268 NA metacyc NA NA +MetaCyc02685 N-acetyl-D-glucosamine-6-phosphate [N-acetylglucosamine-6-P;GlcNAc-6-P;N-acetyl-D-glucosamine-6-P;N-acetyl-glucosamine-6-phosphate;N-acetyl-glucosamine-6-P;] C8H16N1O9P1 301.056268 102029-88-9 metacyc NA NA +MetaCyc02686 N-acetyl-D-mannosamine-1-phosphate [N-acetyl-mannosamine-1-P;N-acetyl-D-mannosamine-1-P;N-acetyl-mannosamine-1-phosphate;] C8H16N1O9P1 301.056268 NA metacyc NA NA +HMDB01062 N-Acetyl-D-Glucosamine 6-Phosphate C8H16NO9P 301.05627 http://www.hmdb.ca/metabolites/HMDB01062 HMDB NA NA +HMDB01121 N-Acetyl-D-mannosamine 6-phosphate C8H16NO9P 301.05627 http://www.hmdb.ca/metabolites/HMDB01121 HMDB NA NA +HMDB01367 N-Acetyl-glucosamine 1-phosphate C8H16NO9P 301.05627 http://www.hmdb.ca/metabolites/HMDB01367 HMDB NA NA +HMDB02817 N-Acetylglucosamine 6-phosphate C8H16NO9P 301.05627 http://www.hmdb.ca/metabolites/HMDB02817 HMDB NA NA +HMDB06480 N-Acetyl-D-galactosamine 1-phosphate C8H16NO9P 301.05627 http://www.hmdb.ca/metabolites/HMDB06480 HMDB NA NA +HMDB01062 N-Acetyl-D-Glucosamine 6-Phosphate C8H16NO9P 301.05627 HMDB01062 PFEM_hmdb_metabocards_official NA NA +HMDB01121 N-Acetyl-D-mannosamine 6-phosphate C8H16NO9P 301.05627 HMDB01121 PFEM_hmdb_metabocards_official NA NA +HMDB01367 N-Acetyl-glucosamine 1-phosphate C8H16NO9P 301.05627 HMDB01367 PFEM_hmdb_metabocards_official NA NA +HMDB02817 N-Acetylglucosamine 6-phosphate C8H16NO9P 301.05627 HMDB02817 PFEM_hmdb_metabocards_official NA NA +HMDB06480 N-Acetyl-D-galactosamine 1-phosphate C8H16NO9P 301.05627 HMDB06480 PFEM_hmdb_metabocards_official NA NA +HMDB01062 N-Acetyl-D-Glucosamine 6-Phosphate C8H16NO9P 301.056274 NA HMDB2010 NA NA +HMDB01121 N-Acetyl-D-mannosamine 6-phosphate C8H16NO9P 301.056274 NA HMDB2010 NA NA +HMDB01367 N-Acetyl-glucosamine 1-phosphate C8H16NO9P 301.056274 NA HMDB2010 NA NA +HMDB02817 N-Acetylglucosamine 6-phosphate C8H16NO9P 301.056274 NA HMDB2010 NA NA +HMDB06480 N-Acetyl-D-galactosamine 1-phosphate C8H16NO9P 301.056274 NA HMDB2010 NA NA +C00357 N-Acetyl-D-glucosamine 6-phosphate C8H16NO9P 301.0563 NA KEGG NA NA +C04256 N-Acetyl-D-glucosamine 1-phosphate C8H16NO9P 301.0563 NA KEGG NA NA +C04257 N-Acetyl-D-mannosamine 6-phosphate C8H16NO9P 301.0563 NA KEGG NA NA +C04258 N-Formyl-L-methionylaminoacyl-tRNA C18H28N2O13PSR3 301.0563 NA KEGG NA NA +C04501 N-Acetyl-alpha-D-glucosamine 1-phosphate C8H16NO9P 301.0563 NA KEGG NA NA +C04502 N-Acetyl-beta-D-glucosaminyl-glycopeptide C8H14NO6R 301.0563 NA KEGG NA NA +C06376 N-Acetyl-D-galactosamine 6-phosphate C8H16NO9P 301.0563 NA KEGG NA NA +C18055 N-Acetyl-alpha-D-hexosamine 1-phosphate C8H16NO9P 301.0563 NA KEGG NA NA +C18060 N-Acetyl-alpha-D-galactosamine 1-phosphate C8H16NO9P 301.0563 NA KEGG NA NA +C18061 N-Acyl-L-homoserine C5H8NO4R 301.0563 NA KEGG NA NA +MJ027187 2-Chloroadenosine C10H12ClN5O4 301.057781 NA MeJP NA NA +MJ027188 Tariacuripyrone; 7,9-Dimethoxy C15H11NO6 301.058637 NA MeJP NA NA +MJ027189 Verdoskyrin C15H11NO6 301.058637 NA MeJP NA NA +C01294 1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate C7H16N3O8P 301.0675 NA KEGG NA NA +MJ027190 2-[(2-Hydroxyethyl)amino]-5-nitro-1H-benz[de]isoquinoline-1,3(2H)-dione C14H11N3O5 301.06987 NA MeJP NA NA +HMDB05797 Peonidin C16H13O6 301.0712 http://www.hmdb.ca/metabolites/HMDB05797 HMDB NA NA +C08726 Peonidin C16H13O6 301.0712 NA KEGG NA NA +HMDB05797 Peonidin C16H13O6 301.0712 HMDB05797 PFEM_hmdb_metabocards_official NA NA +MJ027191 4-[(4-Chlorophenyl)methyl]-1,4,6,7-tetrahydro-9H-imidazo[1,2-a]purin-9-one C14H12ClN5O 301.073037 NA MeJP NA NA +MJ027192 4-Nitrophenyl glucoside; ?-D-Pyranose-form C12H15NO8 301.079766 NA MeJP NA NA +C04452 4-Nitrophenol-alpha-D-galactopyranoside C12H15NO8 301.0798 NA KEGG NA NA +MJ027193 Ascididemin; 11-Hydroxy, 8,9-dihydro C18H11N3O2 301.085126 NA MeJP NA NA +MJ027194 Luotonin F C18H11N3O2 301.085126 NA MeJP NA NA +MJ027195 Rutaecarpine; 1-Hydroxy, 7,8-didehydro C18H11N3O2 301.085126 NA MeJP NA NA +MJ027196 4,9-Anhydrotetrodotoxin C11H15N3O7 301.090999 NA MeJP NA NA +MJ027197 Uridine-5-acetic acid; Amide C11H15N3O7 301.090999 NA MeJP NA NA +MJ027198 ?-Amino-5-oxo-2(5H)-isoxazolepropanoic acid, N-(4-Amino-4-carboxybutanoyl) C11H15N3O7 301.090999 NA MeJP NA NA +CJneg0505 Phenylacetylglutamine [(M+Cl)]- (13C) C1213CH16ClN2O4 301.091625 C18rt(min)=5.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0505 Phenylacetylglutamine [(M+Cl)]- (13C) C1213CH16ClN2O4 301.091625 C18rt(min)=5.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ027199 Fluradoline C17H16FNOS 301.093663 NA MeJP NA NA +MJ027200 1,2,3,4-Tetrahydroxyacridone; 2,3,4-Tri-Me ether C16H15NO5 301.095022 NA MeJP NA NA +MJ027201 1,2,3,5-Tetrahydroxyacridone; 2,3,10-O,O,N-Tri-Me C16H15NO5 301.095022 NA MeJP NA NA +MJ027202 1,3,4,5-Tetrahydroxyacridone; 3,4,10-O,O,N-Tri-Me C16H15NO5 301.095022 NA MeJP NA NA +MJ027203 1,3,5,6-Tetrahydroxyacridone; 3,5,10-O,O,N-Tri-Me C16H15NO5 301.095022 NA MeJP NA NA +MJ027204 1,3,5,6-Tetrahydroxyacridone; 3,5,6-O-Tri-Me C16H15NO5 301.095022 NA MeJP NA NA +MJ027205 1,3,5,6-Tetrahydroxyacridone; 3,6,10-O,O,N-Tri-Me C16H15NO5 301.095022 NA MeJP NA NA +MJ027206 1,3,5,6-Tetrahydroxyacridone; 5,6,10-O,O,N-Tri-Me C16H15NO5 301.095022 NA MeJP NA NA +MJ027207 5,6-Dihydro-N-[3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenoyl]-2(1H)-pyridinone C16H15NO5 301.095022 NA MeJP NA NA +MJ027208 Nanaomycin A; Amide C16H15NO5 301.095022 NA MeJP NA NA +MJ027209 Renierol; O7-De-Me, O-angeloyl C16H15NO5 301.095022 NA MeJP NA NA +MJ027210 Ocinaplon C17H11N5O 301.096359 NA MeJP NA NA +FL7DEANS0001 6,7-Dihydroxy-5,4'-dimethoxy-flavylium;Carajurin C17H17O5 301.10759 - knapsack NA NA +7554 ACE inhibitor from Tricholoma giganteum GEP 301.115 antioxidative Inhouse_peptide NA peptide +7817 ACE inhibitor from mushroom Tricholoma giganteum GEP 301.115 antibacterial Inhouse_peptide NA peptide +MJ027211 Troquidazole C14H15N5O3 301.117489 NA MeJP NA NA +MJ027212 Angustidine C19H15N3O 301.121512 NA MeJP NA NA +MJ027213 Dehydroevodiamine C19H15N3O 301.121512 NA MeJP NA NA +PJ000211 GPE C12H19N3O6 301.1274 NA PeJP NA NA +8190 peptide from buckwheat PW 301.131 Short chain quaternary ammonium salts ;SYN:(Carboxymethyl)trimethylammonium hydroxide inner salt; (Trimethylammonio)acetate; 1-Carboxy-N,N,N-trimethylmethanaminium inner salt; 1-carboxy-N,N,N-trimethyl-Methanaminium; 1-carboxy-N,N,N-trimethyl-Methanaminium hydroxide; Abromine; Aminocoat; Betafin; Betafin BCR; Betafin BP; Betaine; Cystadane; Ektasolve EE; FinnStim; Glycine betaine; Glycocoll betaine; Glycylbetaine; Greenstim; Loramine AMB 13; Loramine AMB-13; Lycine; N,N,N-Trimethylglycine; Oxyneurine; Rubrine C; Trimethylaminoacetate; Trimethylaminoacetic acid; Trimethylglycine; Trimethylglycocoll; a-Earleine; alpha-Earleine; trimethylbetaine GlycineH2Blood; Urine Inhouse_peptide NA peptide +C05203 6-O-Methylnorlaudanosoline C17H19NO4 301.1314 NA KEGG NA NA +C06517 (S)-6-O-Methylnorlaudanosoline C17H19NO4 301.1314 NA KEGG NA NA +C06519 (S)-3'-Hydroxycoclaurine C17H19NO4 301.1314 NA KEGG NA NA +C08019 Oxymorphone C17H19NO4 301.1314 NA KEGG NA NA +C08020 Transferred to D00844 C17H19NO4 301.1314 NA KEGG NA NA +C08525 Crinamine C17H19NO4 301.1314 NA KEGG NA NA +C08527 Haemanthamine C17H19NO4 301.1314 NA KEGG NA NA +C10941 Furalaxyl C17H19NO4 301.1314 NA KEGG NA NA +C11078 Fenoxycarb C17H19NO4 301.1314 NA KEGG NA NA +C11786 Morphine N-oxide C17H19NO4 301.1314 NA KEGG NA NA +C12163 Powelline C17H19NO4 301.1314 NA KEGG NA NA +C12190 9-O-Demethylhomolycorine C17H19NO4 301.1314 NA KEGG NA NA +C12191 ent-6beta-Hydroxybuphanisine C17H19NO4 301.1314 NA KEGG NA NA +C12192 ent-6alpha-Hydroxybuphanisine C17H19NO4 301.1314 NA KEGG NA NA +C12327 Laudanosoline C17H19NO4 301.1314 NA KEGG NA NA +MJ027214 (S)-3'-Hydroxycoclaurine C17H19NO4 301.131408 NA MeJP NA NA +MJ027215 (S)-6-O-Methylnorlaudanosoline C17H19NO4 301.131408 NA MeJP NA NA +MJ027216 2,4-Dimethoxy-7,8-methylenedioxy-3-prenylquinoline C17H19NO4 301.131408 NA MeJP NA NA +MJ027217 2-(4-Methoxyphenyl)ethylamine; N-(2-Hydroxy-6-methoxybenzoyl) C17H19NO4 301.131408 NA MeJP NA NA +MJ027218 5-Methoxy-2,2-dimethyl-2H-pyrano[2,3-b]quinoline; 8,9-Dimethoxy C17H19NO4 301.131408 NA MeJP NA NA +MJ027219 Augustamine C17H19NO4 301.131408 NA MeJP NA NA +MJ027220 Balsamide C17H19NO4 301.131408 NA MeJP NA NA +MJ027221 Brunsvinine C17H19NO4 301.131408 NA MeJP NA NA +MJ027222 Buphanamine C17H19NO4 301.131408 NA MeJP NA NA +MJ027223 Buphanisine, 6-Hydroxy C17H19NO4 301.131408 NA MeJP NA NA +MJ027224 Coccinine C17H19NO4 301.131408 NA MeJP NA NA +MJ027225 Crinamine C17H19NO4 301.131408 NA MeJP NA NA +MJ027226 Demethylcephalotaxine C17H19NO4 301.131408 NA MeJP NA NA +MJ027227 Erysopitine; 2-Ketone C17H19NO4 301.131408 NA MeJP NA NA +MJ027228 Falcatine C17H19NO4 301.131408 NA MeJP NA NA +MJ027229 Flexinine; Me ether C17H19NO4 301.131408 NA MeJP NA NA +MJ027230 Folifinine C17H19NO4 301.131408 NA MeJP NA NA +MJ027231 Furo[2,3-b]quinoline-4,7-diol; NH-form, 7-Me ether, N-(3-hydroxy-3-methylbutyl) C17H19NO4 301.131408 NA MeJP NA NA +MJ027232 Galanthamine, N-De-Me, N-formyl C17H19NO4 301.131408 NA MeJP NA NA +MJ027233 Galanthus caucasicus Alkaloid C17H19NO4 301.131408 NA MeJP NA NA +MJ027234 Geibalansine, Ac C17H19NO4 301.131408 NA MeJP NA NA +MJ027235 Graciline; 3,4-Dihydro, 3S-hydroxy C17H19NO4 301.131408 NA MeJP NA NA +MJ027236 Haemanthamine C17H19NO4 301.131408 NA MeJP NA NA +MJ027237 Higenamine, N-Me, N-oxide(R-) C17H19NO4 301.131408 NA MeJP NA NA +MJ027238 Hippandrine C17H19NO4 301.131408 NA MeJP NA NA +MJ027239 Hippauline C17H19NO4 301.131408 NA MeJP NA NA +MJ027240 Homolycorine; O9-De-Me C17H19NO4 301.131408 NA MeJP NA NA +MJ027241 Krelagine C17H19NO4 301.131408 NA MeJP NA NA +MJ027242 Lycorine, O2-Me C17H19NO4 301.131408 NA MeJP NA NA +MJ027243 Mesembrenone, N-De-Me, N-formyl C17H19NO4 301.131408 NA MeJP NA NA +MJ027244 Montabuphine C17H19NO4 301.131408 NA MeJP NA NA +MJ027245 Montanine C17H19NO4 301.131408 NA MeJP NA NA +MJ027246 Morphine, N-Oxide C17H19NO4 301.131408 NA MeJP NA NA +MJ027247 Nerispine C17H19NO4 301.131408 NA MeJP NA NA +MJ027248 Oduline C17H19NO4 301.131408 NA MeJP NA NA +MJ027249 Oricine C17H19NO4 301.131408 NA MeJP NA NA +MJ027250 Oxymorphone C17H19NO4 301.131408 NA MeJP NA NA +MJ027251 Platydesmine, Ac C17H19NO4 301.131408 NA MeJP NA NA +MJ027252 Powelline C17H19NO4 301.131408 NA MeJP NA NA +MJ027253 Ptelefolone C17H19NO4 301.131408 NA MeJP NA NA +MJ027254 Pteleprenine C17H19NO4 301.131408 NA MeJP NA NA +MJ027255 Tecleanone C17H19NO4 301.131408 NA MeJP NA NA +MJ027256 Veprisine C17H19NO4 301.131408 NA MeJP NA NA +MJ027257 Wisanidine C17H19NO4 301.131408 NA MeJP NA NA +MJ027258 Hydroxyluninium(1+), Deoxy C17H20NO4(+) 301.131408 NA MeJP NA NA +MetaCyc02687 6-O-methylnorlaudanosoline [4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinol-1-yl)methyl] benzene-1,2-diol;] C17H19N1O4 301.131408 NA metacyc NA NA +MJ027259 Sulfonterol C14H23NO4S 301.134778 NA MeJP NA NA +MJ027260 Stylotellane A C16H25Cl2N 301.136405 NA MeJP NA NA +C10677 Febrifugine C16H19N3O3 301.1426 NA KEGG NA NA +C10698 Isofebrifugine C16H19N3O3 301.1426 NA KEGG NA NA +MJ027261 Febrifugine C16H19N3O3 301.142641 NA MeJP NA NA +MJ027262 Isofebrifugine C16H19N3O3 301.142641 NA MeJP NA NA +MJ027263 Prazitone C16H19N3O3 301.142641 NA MeJP NA NA +PJ000212 PW C16H19N3O3 301.1427 NA PeJP NA NA +8278 Antioxidative peptide VPYPQ 301.1465 MH2+ Inhouse_peptide NA peptide +MJ027264 Cyprolidol C21H19NO 301.146664 NA MeJP NA NA +3538 ACE inhibitor VSP 301.152 ACE inhibitor Inhouse_peptide NA peptide +MJ027265 Ideamine A; N-Oxide C14H23NO6 301.152537 NA MeJP NA NA +MJ027266 3,14-Didehydro-19-methylnormalindine C20H19N3 301.157897 NA MeJP NA NA +MJ027267 Decussine C20H19N3 301.157897 NA MeJP NA NA +C02487 (Ac)2-L-Lys-D-Ala C13H23N3O5 301.1638 NA KEGG NA NA +PJ000213 SPV C13H23N3O5 301.1638 NA PeJP NA NA +MJ027268 1-[7-(3,4-Methylenedioxyphenyl)-2,6-heptadienoyl]pyrrolidine, 2,3-Dihydro C18H23NO3 301.167793 NA MeJP NA NA +MJ027269 3,5-Bis(3-methyl-2-butenyl)-1H-indole; 1''-Oxo, 2',3'-dihydro, 2'R,3'-dihydroxy C18H23NO3 301.167793 NA MeJP NA NA +MJ027270 6-(4-Methoxyphenyl)-N-(3-methylbutyl)-2-oxo-3,5-hexadienamide C18H23NO3 301.167793 NA MeJP NA NA +MJ027271 Asteranthine; 2',3'-Dihydroxy C18H23NO3 301.167793 NA MeJP NA NA +MJ027272 Butopamine C18H23NO3 301.167793 NA MeJP NA NA +MJ027273 Chingchengenamide A C18H23NO3 301.167793 NA MeJP NA NA +MJ027274 Cocculimine C18H23NO3 301.167793 NA MeJP NA NA +MJ027275 Cocculine; Me ether, N-oxide C18H23NO3 301.167793 NA MeJP NA NA +MJ027276 Cocculitine C18H23NO3 301.167793 NA MeJP NA NA +MJ027277 Coccutrine C18H23NO3 301.167793 NA MeJP NA NA +MJ027278 Cohirsitinine C18H23NO3 301.167793 NA MeJP NA NA +MJ027279 Croton linearis Alkaloid E C18H23NO3 301.167793 NA MeJP NA NA +MJ027280 Dihydroerysodine C18H23NO3 301.167793 NA MeJP NA NA +MJ027281 Dihydroerysovine C18H23NO3 301.167793 NA MeJP NA NA +MJ027282 Dihydromorphine, 3-O-Me C18H23NO3 301.167793 NA MeJP NA NA +MJ027283 Discolorine C18H23NO3 301.167793 NA MeJP NA NA +MJ027284 Dobutamine C18H23NO3 301.167793 NA MeJP NA NA +MJ027285 Futoamide C18H23NO3 301.167793 NA MeJP NA NA +MJ027286 Galanthamine, Me ether C18H23NO3 301.167793 NA MeJP NA NA +MJ027287 Glaziovine, Tetrahydro C18H23NO3 301.167793 NA MeJP NA NA +MJ027288 Hexahydromecambrine B C18H23NO3 301.167793 NA MeJP NA NA +MJ027289 Isoxsuprine C18H23NO3 301.167793 NA MeJP NA NA +MJ027290 Lauformine; N-Me C18H23NO3 301.167793 NA MeJP NA NA +MJ027291 Litsericine; N-Me C18H23NO3 301.167793 NA MeJP NA NA +MJ027292 Maritidine, Me ether C18H23NO3 301.167793 NA MeJP NA NA +MJ027293 Methyldihydromorphine C18H23NO3 301.167793 NA MeJP NA NA +MJ027294 Neruscine C18H23NO3 301.167793 NA MeJP NA NA +MJ027295 Solpecainol C18H23NO3 301.167793 NA MeJP NA NA +C06967 Dobutamine C18H23NO3 301.1678 NA KEGG NA NA +C06968 Transferred to D00305 C18H23NO3 301.1678 NA KEGG NA NA +MJ027296 Indolactam V C17H23N3O2 301.179026 NA MeJP NA NA +MJ027297 Floridimine C15H27NO5 301.188922 NA MeJP NA NA +MJ027298 Megalanthonine C15H27NO5 301.188922 NA MeJP NA NA +MJ027299 Trachelanthamine; 1,2',3'-Triepimer, N-oxide C15H27NO5 301.188922 NA MeJP NA NA +MJ027300 Trachelanthamine; 3'-Epimer, N-Oxide C15H27NO5 301.188922 NA MeJP NA NA +MJ027301 Trachelanthamine; 8-Epimer, N-oxide C15H27NO5 301.188922 NA MeJP NA NA +MJ027302 Trachelanthamine; N-Oxide C15H27NO5 301.188922 NA MeJP NA NA +MJ027303 Tegaserod C16H23N5O 301.19026 NA MeJP NA NA +PJ000214 GLL C14H27N3O4 301.2002 NA PeJP NA NA +MJ027304 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-[(tetrahydro-2-furanyl)methyl]-2,6-methano-3-benzazocin-8-ol C19H27NO2 301.204179 NA MeJP NA NA +MJ027305 12-(3-Pyridinyl)-4,6,8-dodecatrien-2-ol, 8,9-Dihydro, Ac C19H27NO2 301.204179 NA MeJP NA NA +MJ027306 2,9-Pentadecadiene-12,14-diynoic acid, 2-Hydroxy-2-methylpropylamide C19H27NO2 301.204179 NA MeJP NA NA +MJ027307 8-Methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid, Isopropyl ester C19H27NO2 301.204179 NA MeJP NA NA +MJ027308 Delavayine A C19H28NO2(+) 301.204179 NA MeJP NA NA +CJpos0712 Nonenoylcarnitine isomer [(M+H)]+ (18O) C16H30NO318O 301.213375 C18rt(min)=7.6 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0712 Nonenoylcarnitine isomer [(M+H)]+ (18O) C16H30NO318O 301.213375 C18rt(min)=7.6 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ027309 4-Amino-N-(1-cyclohexyl-3-pyrrolidinyl)-N-methylbenzamide C18H27N3O 301.215412 NA MeJP NA NA +MJ027310 Pentaquine C18H27N3O 301.215412 NA MeJP NA NA +CJpos0713 2,6 dimethylheptanoyl carnitine [(M+H)]+ C16H32NO4 301.224775 C18rt(min)=8.06 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0714 Nonanoylcarnitine [(M+H)]+ C16H32NO4 301.224775 C18rt(min)=8.18 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0713 2,6 dimethylheptanoyl carnitine [(M+H)]+ C16H32NO4 301.224775 C18rt(min)=8.06 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0714 Nonanoylcarnitine [(M+H)]+ C16H32NO4 301.224775 C18rt(min)=8.18 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB06320 2,6 dimethylheptanoyl carnitine C16H31NO4 301.22531 http://www.hmdb.ca/metabolites/HMDB06320 HMDB NA NA +HMDB06320 2,6 dimethylheptanoyl carnitine C16H31NO4 301.22531 HMDB06320 PFEM_hmdb_metabocards_official NA NA +HMDB06320 2,6 dimethylheptanoyl carnitine C16H31NO4 301.225311 NA HMDB2010 NA NA +HMDB13288 Nonanoylcarnitine C16H31NO4 301.225311 NA HMDB2010 NA NA +MJ027311 2,7-Hexadecadien-10-ynoic acid, Pyrrolidide C20H31NO 301.240564 NA MeJP NA NA +MJ027312 2,7-Hexadecadienoic acid, Pyrrolide C20H31NO 301.240564 NA MeJP NA NA +MJ027313 6,8-Hexadecadien-10-ynoic acid, Pyrrolidide C20H31NO 301.240564 NA MeJP NA NA +MJ027314 Deramciclane C20H31NO 301.240564 NA MeJP NA NA +MJ027315 Thelepogine C20H31NO 301.240564 NA MeJP NA NA +MJ027316 Trihexyphenidyl C20H31NO 301.240564 NA MeJP NA NA +C07171 Trihexyphenidyl C20H31NO 301.2406 NA KEGG NA NA +C08454 (E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide C20H31NO 301.2406 NA KEGG NA NA +HMDB00269 Sphinganine C18H39NO2 301.298065 NA HMDB2010 NA NA +HMDB00269 Sphinganine C18H39NO2 301.29807 http://www.hmdb.ca/metabolites/HMDB00269 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00269 Sphinganine C18H39NO2 301.29807 http://www.hmdb.ca/metabolites/HMDB00269 HMDB NA NA +HMDB00269 Sphinganine C18H39NO2 301.29807 http://www.hmdb.ca/metabolites/HMDB00269 PFEM_hmdb_metabocards_blood NA blood +HMDB00269 Sphinganine C18H39NO2 301.29807 HMDB00269 PFEM_hmdb_metabocards_official NA NA +MJ027317 2-Amino-1,3-octadecanediol C18H39NO2 301.298079 NA MeJP NA NA +MJ027318 Sphinganine C18H39NO2 301.298079 NA MeJP NA NA +MetaCyc02688 sphinganine [dihydrosphingosine;sphinganine;erythro-D-sphinganine;DHS;] C18H39N1O2 301.29808 764-22-7 metacyc NA NA +C00836 Sphinganine C18H39NO2 301.2981 NA KEGG NA NA +MJ027319 Homopentamine C16H39N5 301.320546 NA MeJP NA NA +MJ027320 Homospermine; N5-(4-Aminobutyl) C16H39N5 301.320546 NA MeJP NA NA +MJ027321 Zinc permanganate Mn2O8Zn 301.764562 NA MeJP NA NA +MJ027322 [(5-Oxo-1,3,2-oxathiostibolan-2-yl)thio]acetic acid C4H5O4S2Sb 301.866743 NA MeJP NA NA +MJ027323 1,2,3,5-Benzenetetrol; 2,5-O-Disulfate C6H6O10S2 301.940237 NA MeJP NA NA +C14431 Methidathion C6H11N2O4PS3 301.9619 NA KEGG NA NA +MJ027324 Erythritol; Tetranitrate C4H6N4O12 301.998221 NA MeJP NA NA +HMDB02899 Ellagic acid C14H6O8 302.006256 NA HMDB2010 NA NA +HMDB02899 Ellagic acid C14H6O8 302.00626 http://www.hmdb.ca/metabolites/HMDB02899 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02899 Ellagic acid C14H6O8 302.00626 http://www.hmdb.ca/metabolites/HMDB02899 HMDB NA NA +HMDB02899 Ellagic acid C14H6O8 302.00626 http://www.hmdb.ca/metabolites/HMDB02899 PFEM_hmdb_metabocards_blood NA blood +HMDB02899 Ellagic acid C14H6O8 302.00626 HMDB02899 PFEM_hmdb_metabocards_official NA NA +MJ027325 Ellagic acid C14H6O8 302.006267 NA MeJP NA NA +C10788 Ellagic acid C14H6O8 302.0063 NA KEGG NA NA +MJ027326 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 5,6-Di-Me ether, 7-O-sulfate C11H10O8S 302.009637 NA MeJP NA NA +MJ027327 Etacrynic acid C13H12Cl2O4 302.011264 NA MeJP NA NA +MJ027328 Tixanox C15H10O5S 302.024894 NA MeJP NA NA +C17722 Narcobarbital C11H15BrN2O3 302.0266 NA KEGG NA NA +MJ027329 Butallylonal C11H15BrN2O3 302.026605 NA MeJP NA NA +MJ027330 Pronarcon C11H15BrN2O3 302.026605 NA MeJP NA NA +MJ027331 5-Chloro-3-(phenylthio)-1H-indole-2-carboxamide C15H11ClN2OS 302.028061 NA MeJP NA NA +MJ027332 3-Benzyl-6-(2-methylpropyl)-1,2,4,5-tetrathiane C13H18S4 302.029133 NA MeJP NA NA +MJ027333 Nomelidine C15H15BrN2 302.041861 NA MeJP NA NA +JH207 Quercetin [M+H]+ C15H10O7 302.0421 17.6 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH207 Quercetin [M+H]+ C15H10O7 302.0421 17.6 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH207 Quercetin [M+H]+ C15H10O7 302.0421 17.6 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH207 Quercetin [M+H]+ C15H10O7 302.0421 17.6 Inhousejuil11 NA NA +FL1AAGNS0001 Bracteatin C15H10O7 302.04265 3260-50-2 knapsack NA NA +FL3FAGNS0001 Tricetin;5,7,3',4',5'-Pentahydroxyflavone;5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C15H10O7 302.04265 520-31-0 knapsack NA NA +FL3FALNS0001 Isoetin C15H10O7 302.04265 1621-84-7 knapsack NA NA +FL3FECNS0003 6-Hydroxyluteolin;Demethylpedalitin;Nornepetin;2-(3,4-Dihydroxyphenyl)-5,6,7-trihydroxy-4H-1-benzopyran-4-one C15H10O7 302.04265 18003-33-3 knapsack NA NA +FL3FFCNS0001 Hypolaetin C15H10O7 302.04265 27696-41-9 knapsack NA NA +FL5F1GNS0001 Robinetin C15H10O7 302.04265 490-31-3 knapsack NA NA +FL5F2CNS0001 Rhynchosin C15H10O7 302.04265 74514-47-9 knapsack NA NA +FL5F3CNS0001 Melanoxetin;3,7,8,3',4'-Pentahydroxyflavone;2-(3,4-Dihydroxyphenyl)-3,7,8-trihydroxy-4H-1-benzopyran-4-one C15H10O7 302.04265 489-58-7 knapsack NA NA +FL5FA8NS0004 3,5,7,2',5'-Pentahydroxyflavone C15H10O7 302.04265 - knapsack NA NA +FL5FA8NS0006 Viscidulin I C15H10O7 302.04265 92519-95-4 knapsack NA NA +FL5FACNS0001 Quercetin C15H10O7 302.04265 117-39-5 knapsack NA NA +FL5FALNS0002 Morin;3,5,7,2',4'-Pentahydroxyflavonol;2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one C15H10O7 302.04265 480-16-0 knapsack NA NA +FL5FEANS0001 6-Hydroxykaempferol C15H10O7 302.04265 4324-55-4 knapsack NA NA +FL5FFANS0001 Herbacetin C15H10O7 302.04265 527-95-7 knapsack NA NA +FLIAFLNS0002 5,7,8,2',4'-Pentahydroxyisoflavone C15H10O7 302.04265 104363-16-8 knapsack NA NA +MJ027334 1,2,3,5,6-Pentahydroxy-8-methylanthraquinone C15H10O7 302.042652 NA MeJP NA NA +MJ027335 1,2,3,5,8-Pentahydroxyanthraquinone; 2-Me ether C15H10O7 302.042652 NA MeJP NA NA +MJ027336 1,2,3,8-Tetrahydroxy-6-hydroxymethylanthraquinone C15H10O7 302.042652 NA MeJP NA NA +MJ027337 1,2,4,5,8-Pentahydroxy-7-methylanthraquinone C15H10O7 302.042652 NA MeJP NA NA +MJ027338 1,2,4,5-Tetrahydroxy-7-hydroxymethylanthraquinone C15H10O7 302.042652 NA MeJP NA NA +MJ027339 1,3,4,5,6-Pentahydroxy-2-methylanthraquinone C15H10O7 302.042652 NA MeJP NA NA +MJ027340 1,3,5,6-Tetrahydroxy-2-hydroxymethylanthraquinone C15H10O7 302.042652 NA MeJP NA NA +MJ027341 1,3,6,8-Tetrahydroxy-2-(hydroxymethyl)anthraquinone C15H10O7 302.042652 NA MeJP NA NA +MJ027342 2',3,4',5,7-Pentahydroxyflavone C15H10O7 302.042652 NA MeJP NA NA +MJ027343 2',3,5,5',7-Pentahydroxyflavone C15H10O7 302.042652 NA MeJP NA NA +MJ027344 2',3,5,6',7-Pentahydroxyflavone C15H10O7 302.042652 NA MeJP NA NA +MJ027345 2',4',5,5',7-Pentahydroxyflavone C15H10O7 302.042652 NA MeJP NA NA +MJ027346 2',4',5,7,8-Pentahydroxyisoflavone C15H10O7 302.042652 NA MeJP NA NA +MJ027347 2-Hydroxymethyl-1,4,5,7-tetrahydroxyanthraquinone C15H10O7 302.042652 NA MeJP NA NA +MJ027348 3',4',5,5',7-Pentahydroxyflavone C15H10O7 302.042652 NA MeJP NA NA +MJ027349 3',4',5,6,7-Pentahydroxyflavone C15H10O7 302.042652 NA MeJP NA NA +MJ027350 3',4',5,7,8-Pentahydroxyflavone C15H10O7 302.042652 NA MeJP NA NA +MJ027351 3',4',5,7,8-Pentahydroxyisoflavone C15H10O7 302.042652 NA MeJP NA NA +MJ027352 3',4,4',5',6-Pentahydroxyaurone C15H10O7 302.042652 NA MeJP NA NA +MJ027353 3,3',4',5',7-Pentahydroxyflavone C15H10O7 302.042652 NA MeJP NA NA +MJ027354 3,3',4',5,7-Pentahydroxyflavone C15H10O7 302.042652 NA MeJP NA NA +MJ027355 3,3',4',5,8-Pentahydroxyflavone C15H10O7 302.042652 NA MeJP NA NA +MJ027356 3,3',4',6,7-Pentahydroxyflavone C15H10O7 302.042652 NA MeJP NA NA +MJ027357 3,3',4',7,8-Pentahydroxyflavone C15H10O7 302.042652 NA MeJP NA NA +MJ027358 3,4',5,7,8-Pentahydroxyflavone C15H10O7 302.042652 NA MeJP NA NA +MJ027359 4-(2,6-Dihydroxybenzoyl)-3-formyl-5-hydroxybenzoic acid C15H10O7 302.042652 NA MeJP NA NA +MJ027360 Anhydrofusarubin; 1-Oxo C15H10O7 302.042652 NA MeJP NA NA +MJ027361 Didyronic acid C15H10O7 302.042652 NA MeJP NA NA +MJ027362 Ventilone A; 5-Me ether C15H10O7 302.042652 NA MeJP NA NA +MJ027363 Quercetin C15H10O7 302.042652 NA MeJP NA NA +MJ027364 3,3',4',5,5',7-Hexahydroxyflavylium(1+) C15H11O7(+) 302.042652 NA MeJP NA NA +MetaCyc02689 3,5,7,3',4'-pentahydroflavone [] C15H10O7 302.042653 117-39-5 metacyc NA NA +MetaCyc02690 quercetin [3,5,7,3',4'-Pentahydroxyflavone;] C15H10O7 302.042653 NA metacyc NA NA +MetaCyc02691 bracteatin [] C15H10O7 302.042653 NA metacyc NA NA +HMDB05794 Quercetin C15H10O7 302.042664 NA HMDB2010 NA NA +C00389 Quercetin C15H10O7 302.0427 NA KEGG NA NA +C00390 Ubiquinol C14H20O4 302.0427 NA KEGG NA NA +C00391 Calmodulin C14H20O4 302.0427 NA KEGG NA NA +C02806 8-Hydroxykaempferol C15H10O7 302.0427 NA KEGG NA NA +C03662 2'-Hydroxypseudobaptigenin C15H10O7 302.0427 NA KEGG NA NA +C08577 Bracteatin C15H10O7 302.0427 NA KEGG NA NA +C10068 6-Hydroxykaempferol C15H10O7 302.0427 NA KEGG NA NA +C10072 6-Hydroxyluteolin C15H10O7 302.0427 NA KEGG NA NA +C10078 Hypolaetin C15H10O7 302.0427 NA KEGG NA NA +C10079 Isoetin C15H10O7 302.0427 NA KEGG NA NA +C10105 Morin C15H10O7 302.0427 NA KEGG NA NA +C10177 Robinetin C15H10O7 302.0427 NA KEGG NA NA +C10192 Tricetin C15H10O7 302.0427 NA KEGG NA NA +C15031 2-(4-Hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one C15H10O7 302.0427 NA KEGG NA NA +MJ027365 2-(2-Nitro-1H-imidazol-1-yl)-N-(2,2,3,3,3-pentafluoropropyl)acetamide C8H7F5N4O3 302.043831 NA MeJP NA NA +MJ027366 Antibiotic BE 10988 C13H10N4O3S 302.04736 NA MeJP NA NA +MJ027367 4,4'-Dihydroxyazobenzene-3,3'-dicarboxylic acid C14H10N2O6 302.053886 NA MeJP NA NA +C07323 Olsalazine C14H10N2O6 302.0539 NA KEGG NA NA +MJ027368 Lachnanthofluorone C19H10O4 302.057908 NA MeJP NA NA +MJ027369 Fludiazepam C16H12ClFN2O 302.062218 NA MeJP NA NA +MJ027370 Neostigmine(1+); Bromide C12H19BrN2O2 302.06299 NA MeJP NA NA +C08197 Neostigmine bromide C12H19N2O2 302.063 NA KEGG NA NA +C08198 Transferred to D00996 C12H19N2O2 302.063 NA KEGG NA NA +C08199 Transferred to D00997 C12H19N2O2 302.063 NA KEGG NA NA +C08200 Transferred to D00998 C12H19N2O2 302.063 NA KEGG NA NA +CJpos0715 Phenylacetylglutamine [(M+K)]+ C13H16KN2O4 302.066375 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0715 Phenylacetylglutamine [(M+K)]+ C13H16KN2O4 302.066375 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ027371 Teprosilic acid C10H14N4O5S 302.06849 NA MeJP NA NA +MJ027372 5-(Formyloxymethyl)uridine C11H14N2O8 302.075015 NA MeJP NA NA +MJ027373 1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate C7H17N3O8P 302.075326 NA MeJP NA NA +MetaCyc02692 1-guanidino-1-deoxy-scyllo-inositol 4-phosphate [N-amidino-scyllo-inosamine 4-phosphate;1-ganidino-1-deoxy-scyllo-inositol 4-phosphate;] C7H17N3O8P1 302.075326 NA metacyc NA NA +MJ027374 Adechlorin C11H15ClN4O4 302.078182 NA MeJP NA NA +JH210 Hesperetin [M+H]+ C16H14O6 302.0785 17.78 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH210 Hesperetin [M+H]+ C16H14O6 302.0785 17.78 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH210 Hesperetin [M+H]+ C16H14O6 302.0785 17.78 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH210 Hesperetin [M+H]+ C16H14O6 302.0785 17.78 Inhousejuil11 NA NA +C01709 Hesperetin C16H14O6 302.079 NA KEGG NA NA +C09756 Homoeriodictyol C16H14O6 302.079 NA KEGG NA NA +C09931 Haematoxylin C16H14O6 302.079 NA KEGG NA NA +C10377 (1S,3R)-Nanaomycin A C16H14O6 302.079 NA KEGG NA NA +C10419 Ferreirin C16H14O6 302.079 NA KEGG NA NA +C12436 Dihydrokalafungin C16H14O6 302.079 NA KEGG NA NA +C16405 Homoeriodictyol chalcone C16H14O6 302.079 NA KEGG NA NA +FL1B1CNS0002 2,6,3'-Trihydroxy-4'-methoxy-2-benzylcoumaranone C16H14O6 302.07903 93012-79-4 knapsack NA NA +FL1BBANS0001 Carpusin C16H14O6 302.07903 87582-99-8 knapsack NA NA +FL1C3CNS0002 Lanceoletin C16H14O6 302.07903 6542-59-2 knapsack NA NA +FL1CADNS0001 4,2',4',6'-Tetrahydroxy-3-methoxychalcone C16H14O6 302.07903 25515-47-3 knapsack NA NA +FL1CRTNS0006 3,4,3',4'-Tetrahydroxy-2-methoxychalcone C16H14O6 302.07903 197227-39-7 knapsack NA NA +FL2F3CNS0002 8-Methoxybutin C16H14O6 302.07903 72241-27-1 knapsack NA NA +FL2FA8NS0002 7,2',6'-Trihydroxy-5-methoxyflavanone C16H14O6 302.07903 92519-96-5 knapsack NA NA +FL2FA8NS0004 Scutamoenin C16H14O6 302.07903 129138-49-4 knapsack NA NA +FL2FA8NS0007 5,2',3'-Trihydroxy-7-methoxyflavanone C16H14O6 302.07903 188440-66-6 knapsack NA NA +FL2FA9NM0015 5,7,3',5'-Tetrahydroxy-6-methylflavanone C16H14O6 302.07903 479676-94-3 knapsack NA NA +FL2FA9NS0009 Alysifolinone;5,7,3'-Trihydroxy-5'-methoxyflavanone C16H14O6 302.07903 183857-79-6 knapsack NA NA +FL2FADNS0001 Homoeriodictyol C16H14O6 302.07903 446-71-9 knapsack NA NA +FL2FAENS0001 Hesperetin C16H14O6 302.07903 520-33-2 knapsack NA NA +FL2FALNS0003 Artocarpanone C16H14O6 302.07903 520-25-2 knapsack NA NA +FL2FCCNS0001 Sternbin C16H14O6 302.07903 51857-11-5 knapsack NA NA +FL2FEANS0002 5,7,4'-Trihydroxy-6-methoxyflavanone C16H14O6 302.07903 94942-49-1 knapsack NA NA +FL2FF8NS0005 5,8,2'-Trihydroxy-7-methoxyflavanone C16H14O6 302.07903 115713-22-9 knapsack NA NA +FL2FFANS0004 5,7,4'-Trihydroxy-8-methoxyflavanone C16H14O6 302.07903 94884-92-1 knapsack NA NA +FL2FFANS0005 5,7,8-Trihydroxy-4'-methoxyflavanone C16H14O6 302.07903 244775-34-6 knapsack NA NA +FL2FG9NS0006 Oresbiusin;6,7,8-Trihydroxy-5-methoxyflavanone C16H14O6 302.07903 178275-97-3 knapsack NA NA +FL4D1CNS0003 3-O-Methyl-2,3-trans-fustin C16H14O6 302.07903 38681-23-1 knapsack NA NA +FL4DABNS0001 Aromadendrin 4'-methyl ether C16H14O6 302.07903 3570-69-2 knapsack NA NA +FL4DBANS0001 Aromadendrin 5-methyl ether C16H14O6 302.07903 151261-86-8 knapsack NA NA +FL4DCANS0001 Aromadendrin 7-methyl ether C16H14O6 302.07903 37971-69-0 knapsack NA NA +FL4DDANS0001 Aromadendrin 3-methyl ether C16H14O6 302.07903 97231-20-4 knapsack NA NA +FL4DE9NS0001 Alnustinol C16H14O6 302.07903 35298-89-6 knapsack NA NA +FL4DF9NS0001 (2R,3R)-3,5,8-Trihydroxy-7-methoxyflavanone C16H14O6 302.07903 578730-88-8 knapsack NA NA +FL6DPTNS0001 Peltogynan-4-alpha-ol C16H14O6 302.07903 67179-15-1 knapsack NA NA +FL6DPTNS0002 ent-Epipeltogynan-4alpha-ol C16H14O6 302.07903 71358-25-3 knapsack NA NA +FL6DPTNS0004 Mopanan-4alpha-ol C16H14O6 302.07903 13848-12-9 knapsack NA NA +FL6DPTNS0005 Epimopanan-4alpha-ol C16H14O6 302.07903 127644-67-1 knapsack NA NA +FLIB1LNS0012 (3R)-7,2',3'-Trihydroxy-4'-methoxyisoflavanone C16H14O6 302.07903 122587-88-6 knapsack NA NA +FLIBALNS0003 Ferreirin C16H14O6 302.07903 32898-79-6 knapsack NA NA +FLIBALNS0005 Isoferreirin C16H14O6 302.07903 76656-75-2 knapsack NA NA +FLIDHXNS0009 6a,7-Dihydroxymedicarpin;3,6a,7-Trihydroxy-9-methoxypterocarpan C16H14O6 302.07903 61135-98-6 knapsack NA NA +FLNB3CNS0001 Haematoxylin C16H14O6 302.07903 517-28-2 knapsack NA NA +MJ027375 1',4'-Dihydrospiro[benzofuran-3(2H),3'-[3H-2]benzopyran]-1',6,6',7'-tetrol C16H14O6 302.079038 NA MeJP NA NA +MJ027376 1,11b-Dihydro-11b-hydroxymaackiain C16H14O6 302.079038 NA MeJP NA NA +MJ027377 1,2,3,4-Tetrahydroxyxanthone; 1,2,4-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027378 1,2,3,5-Tetrahydroxyxanthone; 1,2,3-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027379 1,2,3,5-Tetrahydroxyxanthone; 2,3,5-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027380 1,2,3,7-Tetrahydroxyxanthone; 1,2,3-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027381 1,2,3,7-Tetrahydroxyxanthone; 1,2,7-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027382 1,2,3,7-Tetrahydroxyxanthone; 1,3,7-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027383 1,2,3,7-Tetrahydroxyxanthone; 2,3,7-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027384 1,2,5,6-Tetrahydroxyxanthone; 1,2,5-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027385 1,2,6,8-Tetrahydroxyxanthone; 1,2,6-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027386 1,2,6,8-Tetrahydroxyxanthone; 1,2,8-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027387 1,2,6,8-Tetrahydroxyxanthone; 1,6,8-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027388 1,2,6,8-Tetrahydroxyxanthone; 2,6,8-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027389 1,2,7,8-Tetrahydroxyxanthone; 1,2,8-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027390 1,2-Bis(3,4,5-trihydroxyphenyl)ethane; 3,4:3',4'-Bis(methylene) ether C16H14O6 302.079038 NA MeJP NA NA +MJ027391 1,3,4,7-Tetrahydroxyxanthone; 3,4,7-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027392 1,3,5,6-Tetrahydroxyxanthone; 1,3,5-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027393 1,3,5,6-Tetrahydroxyxanthone; 1,5,6-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027394 1,3,5,6-Tetrahydroxyxanthone; 3,5,6-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027395 1,3,5,8-Tetrahydroxyxanthone; 1,3,5-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027396 1,3,5,8-Tetrahydroxyxanthone; 3,5,8-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027397 1,3,6,7-Tetrahydroxyxanthone; 3,6,7-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027398 1,3,6,8-Tetrahydroxyxanthone; 3,6,8-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027399 1,4-Bis(2,4-dihydroxyphenyl)-1,4-butanedione C16H14O6 302.079038 NA MeJP NA NA +MJ027400 2',3',4',7-Tetrahydroxyisoflavanone, 4'-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027401 2',3',5,7-Tetrahydroxyflavanone, 7-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027402 2',3,3',4,4'-Pentahydroxychalcone, 3-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027403 2',3,3',4,4'-Pentahydroxychalcone, 4-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027404 2',3,4',7-Tetrahydroxyisoflavanone, 4'-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027405 2',3,4,4',6'-Pentahydroxychalcone; 3-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027406 2',3,6'-Trihydroxy-4'-methylbenzophenone-2-carboxylic acid; Me ester C16H14O6 302.079038 NA MeJP NA NA +MJ027407 2',3,7-Trihydroxy-4',5'-methylenedioxyisoflavan C16H14O6 302.079038 NA MeJP NA NA +MJ027408 2',4',5',7-Tetrahydroxyisoflavanone, 5'-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027409 2',4',5,7-Tetrahydroxyflavanone, 2'-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027410 2',4',5,7-Tetrahydroxyflavanone, 7-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027411 2',4',5,7-Tetrahydroxyisoflavanone; 2'-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027412 2',4',5,7-Tetrahydroxyisoflavanone; 4'-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027413 2',4',5,7-Tetrahydroxyisoflavanone; 7-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027414 2',5,5',8-Tetrahydroxyflavanone, 5'-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027415 2',5,6',7-Tetrahydroxyflavanone, 5-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027416 2',5,6',7-Tetrahydroxyflavanone, 7-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027417 2',5,7,8-Tetrahydroxyflavanone, 7-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027418 2',5,7,8-Tetrahydroxyflavanone, 8-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027419 2,3',4,4',6-Pentahydroxybenzophenone; 3',4'-Methylene, 2,4-di-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027420 2,3,3',4,4'-Pentahydroxychalcone, 2-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027421 2,3,4,6-Tetrahydroxyxanthone; 2,3,6-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027422 2,3,4,7-Tetrahydroxyxanthone; 2,3,4-Tri-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027423 2,4',5,7-Tetrahydroxyisoflavanone, 4'-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027424 2,6,7-Trihydroxy-9-methyl-4-dibenzofurancarboxylic acid; 2,7-Di-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027425 2-(3,4-Dihydroxybenzyl)-2,6-dihydroxy-3(2H)-benzofuranone, 4'-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027426 2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione; 7-Methoxy, 1'?-alcohol, Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027427 3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027428 3',4',5,7-Tetrahydroxyflavanone, 7-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027429 3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027430 3',4',5,7-Tetrahydroxyflavanone, 5-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027431 3',4',5,7-Tetrahydroxyisoflavanone; 4'-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027432 3',4',7,8-Tetrahydroxyflavanone, 8-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027433 3',5,5',7-Tetrahydroxyflavanone, 3'-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027434 3',5,5',7-Tetrahydroxyflavanone, 7-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027435 3',5,7-Trihydroxy-4'-methoxyflavanone C16H14O6 302.079038 NA MeJP NA NA +MJ027436 3,3',4',7-Tetrahydroxyflavanone, 3-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027437 3,3',4',7-Tetrahydroxyflavanone, 7-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027438 3,3',4',7-Tetrahydroxyflavanone, 3-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027439 3,4',5,7-Tetrahydroxyflavanone, 3-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027440 3,4',5,7-Tetrahydroxyflavanone, 4'-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027441 3,4',5,7-Tetrahydroxyflavanone, 5-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027442 3,4',5,7-Tetrahydroxyflavanone, 7-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027443 3,4,7,9-Tetrahydroxy-1-methyl-6H-dibenzo[b,d]pyran-6-one; 3,9-Di-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027444 3,5,6,7-Tetrahydroxyflavanone, 6-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027445 3,6a,7,9-Tetrahydroxypterocarpan; 9-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027446 3-(3,4-Dihydroxybenzyl)-3,7-dihydroxy-4-chromanone C16H14O6 302.079038 NA MeJP NA NA +MJ027447 3-(3,4-Dihydroxybenzyl)-5,7-dihydroxy-4-chromanone C16H14O6 302.079038 NA MeJP NA NA +MJ027448 3-Acetyl-1,4-dihydro-5-hydroxy-?,4-dioxo-2-naphthalenebutanoic acid C16H14O6 302.079038 NA MeJP NA NA +MJ027449 3-Hydroxydehydroiso-?-lapachone, 5-Hydroxy, 6-methoxy C16H14O6 302.079038 NA MeJP NA NA +MJ027450 4',5,6,7-Tetrahydroxyflavanone, 6-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027451 4',5,7,8-Tetrahydroxyflavanone, 4'-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027452 4',5,7,8-Tetrahydroxyflavanone, 8-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027453 4,4a-Dihydro-4,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-4a-carboxylic acid; Me ester C16H14O6 302.079038 NA MeJP NA NA +MJ027454 5,6,7,8-Tetrahydroxyflavanone, 5-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027455 5,6-Dehydro-5-methoxymethysticin C16H14O6 302.079038 NA MeJP NA NA +MJ027456 5,7,9,10-Tetrahydroxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one; 5,7-Di-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027457 6-(3,4-Methylenedioxystyryl)-?-pyrone; 4,14-Dimethoxy C16H14O6 302.079038 NA MeJP NA NA +MJ027458 Aflatoxin B3 C16H14O6 302.079038 NA MeJP NA NA +MJ027459 Alphitonin; 3'-Deoxy, 4-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027460 Baishouwubenzophenone C16H14O6 302.079038 NA MeJP NA NA +MJ027461 Barceloneic acid A; 1?1'-Lactone C16H14O6 302.079038 NA MeJP NA NA +MJ027462 Clavilactone C; 13-Deoxy, 2-hydroxy, 1,4-quinone C16H14O6 302.079038 NA MeJP NA NA +MJ027463 Cynandione A C16H14O6 302.079038 NA MeJP NA NA +MJ027464 Fusarubin; 3-Deoxy, 3,4-didehydro, 9-Me ether C16H14O6 302.079038 NA MeJP NA NA +MJ027465 Gnetifolin A C16H14O6 302.079038 NA MeJP NA NA +MJ027466 Haematoxylin C16H14O6 302.079038 NA MeJP NA NA +MJ027467 Marsupsin C16H14O6 302.079038 NA MeJP NA NA +MJ027468 Melodorinol, Ac C16H14O6 302.079038 NA MeJP NA NA +MJ027469 Mopanol C16H14O6 302.079038 NA MeJP NA NA +MJ027470 Mutactin C16H14O6 302.079038 NA MeJP NA NA +MJ027471 Nanaomycin A C16H14O6 302.079038 NA MeJP NA NA +MJ027472 Nidulalin A C16H14O6 302.079038 NA MeJP NA NA +MJ027473 Peltogynol C16H14O6 302.079038 NA MeJP NA NA +MJ027474 Perforatic acid C16H14O6 302.079038 NA MeJP NA NA +MJ027475 Phyllodulcin, 6-Hydroxy C16H14O6 302.079038 NA MeJP NA NA +MJ027476 Piperolide; 3',4'-Methylenedioxy C16H14O6 302.079038 NA MeJP NA NA +MJ027477 Protogenkwanin C16H14O6 302.079038 NA MeJP NA NA +MJ027478 Protosappanin B; 1'-Aldehyde C16H14O6 302.079038 NA MeJP NA NA +MJ027479 Ventiloquinone I; 3,4-Didehydro, 7-O-de-Me, 8-Me ether C16H14O6 302.079038 NA MeJP NA NA +MetaCyc02693 hesperitin [hesperetin;] C16H14O6 302.079038 NA metacyc NA NA +MetaCyc02694 homoeriodictyol [] C16H14O6 302.079038 NA metacyc NA NA +MetaCyc02695 2,5,7-trihydroxy-4'-methoxyisoflavanone [] C16H14O6 302.079038 NA metacyc NA NA +HMDB05782 Hesperetin C16H14O6 302.07904 http://www.hmdb.ca/metabolites/HMDB05782 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05782 Hesperetin C16H14O6 302.07904 http://www.hmdb.ca/metabolites/HMDB05782 HMDB NA NA +HMDB05782 Hesperetin C16H14O6 302.07904 http://www.hmdb.ca/metabolites/HMDB05782 PFEM_hmdb_metabocards_blood NA blood +HMDB05782 Hesperetin C16H14O6 302.07904 HMDB05782 PFEM_hmdb_metabocards_official NA NA +HMDB05782 Hesperetin C16H14O6 302.079041 NA HMDB2010 NA NA +MJ027480 Rugulovasine A, 5-Epimer, 8-chloro C16H15ClN2O2 302.082205 NA MeJP NA NA +MJ027481 Rugulovasine A, 8-Chloro C16H15ClN2O2 302.082205 NA MeJP NA NA +MJ027482 Cambendazole C14H14N4O2S 302.083746 NA MeJP NA NA +CJneg0506 Phenylacetylglutamine [(M+Cl)]- (37Cl) C13H16Cl037ClN2O4 302.085325 C18rt(min)=5.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0506 Phenylacetylglutamine [(M+Cl)]- (37Cl) C13H16Cl037ClN2O4 302.085325 C18rt(min)=5.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ027483 Mimocin C15H14N2O5 302.090271 NA MeJP NA NA +MJ027484 2-Hydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one; 4'-Me ether C20H14O3 302.094294 NA MeJP NA NA +MJ027485 2-Hydroxy-9-phenyl-1H-phenalen-1-one; 4'-Hydroxy, Me ether C20H14O3 302.094294 NA MeJP NA NA +MJ027486 7,8-Dihydroxy-6-phenyl-1H-phenalen-1-one; 7-Me ether C20H14O3 302.094294 NA MeJP NA NA +MJ027487 Florantyrone C20H14O3 302.094294 NA MeJP NA NA +MJ027488 Lachnanthocarpone; 6-Me ether C20H14O3 302.094294 NA MeJP NA NA +C14853 Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide C20H14O3 302.0943 NA KEGG NA NA +MJ027489 1,2,4-Benzenetriol; 2-Me ether, 1-O-?-D-glucopyranoside C13H18O8 302.100167 NA MeJP NA NA +MJ027490 1,2,4-Benzenetriol; 2-Me ether, 4-O-?-D-glucopyranoside C13H18O8 302.100167 NA MeJP NA NA +MJ027491 1,3,5-Benzenetriol; O-?-D-Glucopyranoside, mono-Me ether C13H18O8 302.100167 NA MeJP NA NA +MJ027492 2,3-Dihydroxybenzyl alcohol; O2-?-D-Glucopyranoside C13H18O8 302.100167 NA MeJP NA NA +MJ027493 3,4-Dihydroxybenzyl alcohol; 4-O-?-D-Glucopyranoside C13H18O8 302.100167 NA MeJP NA NA +MJ027494 4-Hydroxymethyl-2-methyl-3-furancarboxylic acid; ?-L-Rhamnopyranosyl ester C13H18O8 302.100167 NA MeJP NA NA +MJ027495 Terizidone C14H14N4O4 302.101504 NA MeJP NA NA +MJ027496 1-Methyl-2-(methylthio)-1H-imidazole-4,5-dimethanol; Bis(methylcarbamate) C11H18N4O4S 302.104875 NA MeJP NA NA +C11259 Bicozamycin C12H18N2O7 302.1114 NA KEGG NA NA +C15486 3''-Deamino-3''-oxonicotianamine C12H18N2O7 302.1114 NA KEGG NA NA +C15487 (2R)-Hydroxy-carboxylate C2H3O3R 302.1114 NA KEGG NA NA +MJ027497 Bicyclomycin C12H18N2O7 302.1114 NA MeJP NA NA +MJ027498 Mycosporin glutamicol; 5'-Carboxylic acid, 1'-amide, O-de-Me C12H18N2O7 302.1114 NA MeJP NA NA +MJ027499 Palythine; 3-N-(Carboxymethyl) C12H18N2O7 302.1114 NA MeJP NA NA +C09807 Odoratol C17H18O5 302.1154 NA KEGG NA NA +C10495 Lotisoflavan C17H18O5 302.1154 NA KEGG NA NA +C10507 Mucronulatol C17H18O5 302.1154 NA KEGG NA NA +FL1D3CNS0001 2',4'-Dihydroxy-4,3'-dimethoxydihydrochalcone;Lusianin C17H18O5 302.11542 168180-11-8 knapsack NA NA +FL1DBBNS0001 2',4'-Dihydroxy-4,6'-dimethoxydihydrochalcone C17H18O5 302.11542 75679-58-2 knapsack NA NA +FL1DCANM0001 4,2',6'-Trihydroxy-4'-methoxy-3'-methyldihydrochalcone C17H18O5 302.11542 72461-71-3 knapsack NA NA +FL1DCBNS0001 Calomelanone C17H18O5 302.11542 35241-54-4 knapsack NA NA +FL1DDANS0001 Dihydroflavokawain C;4,2'-Dihydroxy-4',6'-dimethoxydihydrochalcone C17H18O5 302.11542 42546-55-4 knapsack NA NA +FL1DE9NS0001 Dihydropashanone C17H18O5 302.11542 41997-41-5 knapsack NA NA +FL1DE9NS0003 2',3'-Dihydroxy-4',6'-dimethoxydihydrochalcone C17H18O5 302.11542 54299-22-8 knapsack NA NA +FL1DHXNS0002 Odoratol C17H18O5 302.11542 94943-12-1 knapsack NA NA +FL1DQUNM0003 Ceratiolin C17H18O5 302.11542 106869-61-8 knapsack NA NA +FL1DRTNS0008 2,4'-Dihydroxy-4,6-dimethoxydihydrochalcone C17H18O5 302.11542 151752-07-7 knapsack NA NA +FL1DRTNS0009 4,4'-Dihydroxy-2,6-dimethoxydihydrochalcone C17H18O5 302.11542 151752-08-8 knapsack NA NA +FL63BBNS0001 Afzelechin 5,4'-dimethyl ether C17H18O5 302.11542 67970-23-4 knapsack NA NA +FL6FAFNS0001 Diffutidin C17H18O5 302.11542 89289-92-9 knapsack NA NA +FL6FDCNS0001 3',4'-Dihydroxy-5,7-dimethoxyflavan C17H18O5 302.11542 53846-42-7 knapsack NA NA +FLIC1LNS0001 (-)-Mucronulatol C17H18O5 302.11542 20878-97-1 knapsack NA NA +FLIC1LNS0010 Isomucronulatol;7,2'-Dihydroxy-3',4'-dimethoxyisoflavan C17H18O5 302.11542 64474-51-7 knapsack NA NA +FLIC1LNS0011 (+-)-Mucronulatol;7,3'-Dihydroxy-2',4'-dimethoxyisoflavan C17H18O5 302.11542 20878-98-2 knapsack NA NA +FLIC1LNS0012 Sphaerosin;Spherosin;7,4'-Dihydroxy-2',3'-dimethoxyisoflavan C17H18O5 302.11542 56499-30-0 knapsack NA NA +FLIC1LNS0013 (+-)-4',7-Dihydroxy-2',3'-dimethoxyisoflavan C17H18O5 302.11542 52305-06-3 knapsack NA NA +FLIC1LNS0015 Methoxyvestitol;(3R)-7,2'-Dihydroxy-4',5'-dimethoxyisoflavan C17H18O5 302.11542 122587-86-4 knapsack NA NA +FLICALNS0001 Lotisoflavan;2',4'-Dihydroxy-5,7-dimethoxyisoflavan C17H18O5 302.11542 77370-02-6 knapsack NA NA +FLICALNS0002 5-Methoxyvestitol;7,2'-Dihydroxy-5,4'-dimethoxyisoflavan C17H18O5 302.11542 73354-16-2 knapsack NA NA +MJ027500 1,3,4,5,6-Phenanthrenepentol; 9,10-Dihydro, 1,3,4-tri-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027501 1-(2,4-Dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)-1-propanone, 4',4''-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027502 1-(2,4-Dihydroxyphenyl)-3-(2,4,5-trihydroxyphenyl)propane; 2''-Me, 4'',5''-methylene ether C17H18O5 302.115423 NA MeJP NA NA +MJ027503 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propanol, 4'-Me, 3'',4''-methylene ether C17H18O5 302.115423 NA MeJP NA NA +MJ027504 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Methylene, 3',5-di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027505 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, 3'',4',4''-Tri-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027506 1-(4-Hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-1-propanone; 2'',4''-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027507 1-(4-Hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-1-propanone; 2'',6''-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027508 14(5?6)-Abeo-3,4,9-trihydroxy-2,5,9-furanoeremophilatrien-1-one; 4?-form, 3,9-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027509 14(5?6)-Abeo-3,9,14-trihydroxy-2,5,9-furanoeremophilatrien-1-one; 3,9-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027510 2',3',4',7-Tetrahydroxyisoflavan, 3',4'-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027511 2',3',4',7-Tetrahydroxyisoflavan, 2',3'-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027512 2',4',5,7-Tetrahydroxyisoflavan; 4',5-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027513 2',4',5,7-Tetrahydroxyisoflavan; 5,7-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027514 2',4',6,7-Tetrahydroxyisoflavan; 4',6-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027515 2',4',7,8-Tetrahydroxyisoflavan, 4',7-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027516 2',4',7,8-Tetrahydroxyisoflavan, 4',8-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027517 2,3,4,5,6-Phenanthrenepentol; 9,10-Dihydro, 2,3,4-tri-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027518 2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 2,3,4-tri-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027519 2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 2,3,6-tri-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027520 2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 2,4,7-tri-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027521 2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 3,4,6-tri-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027522 2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 3,4,7-tri-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027523 2,3-Dihydro-5,6,8-trihydroxy-2,3-dimethyl-4H-naphtho[2,3-b]pyran-4-one, 6,8-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027524 2,3-Dihydroxy-6-[2-(4-hydroxyphenyl)ethyl]benzoic acid; 2,4'-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027525 2-Hydroxybenzyl alcohol; 2-Me ether, ? -O-(2,6-dimethoxybenzoyl) C17H18O5 302.115423 NA MeJP NA NA +MJ027526 3',4',5,7-Tetrahydroxyflavan, 3',4'-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027527 3',4',5,7-Tetrahydroxyflavan, 3',7-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027528 3',4',5,7-Tetrahydroxyflavan, 5,7-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027529 3',7-Dihydroxy-2',4'-dimethoxyisoflavan C17H18O5 302.115423 NA MeJP NA NA +MJ027530 3,4',5,7-Tetrahydroxyflavan, 4',5-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027531 3,4-Dihydro-3,8,9-trihydroxy-6-methoxy-3,7-dimethyl-1(2H)-anthracenone C17H18O5 302.115423 NA MeJP NA NA +MJ027532 3-(4-Hydroxybenzyl)-3,4,7-chromantriol, 4-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027533 3-(4-Hydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-1-propanone; 3',4-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027534 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-propanone C17H18O5 302.115423 NA MeJP NA NA +MJ027535 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)-1-propanone; 4'-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027536 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2',4'-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027537 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2',4-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027538 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4,4'-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027539 3-Phenyl-1-(2,3,4,6-tetrahydroxyphenyl)-1-propanone; 3',4'-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027540 3-Phenyl-1-(2,3,4,6-tetrahydroxyphenyl)-1-propanone; 4',6'-Di-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027541 5,6-Dihydroxy-2-[2-(4-hydroxyphenyl)ethyl]benzoic acid; 4'-Me ether, Me ester C17H18O5 302.115423 NA MeJP NA NA +MJ027542 8,12-Epoxy-1-hydroxy-5,7,9,11-germacratetraen-15,6-olide, Ac C17H18O5 302.115423 NA MeJP NA NA +MJ027543 8,12-Epoxy-9-hydroxy-1(10),4,7,11-germacratetraen-15,6-olide, Ac C17H18O5 302.115423 NA MeJP NA NA +MJ027544 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, Ac C17H18O5 302.115423 NA MeJP NA NA +MJ027545 8-Hydroxy-3-oxo-1,4(15),11(13)-eudesmatrien-12,6-olide, Ac C17H18O5 302.115423 NA MeJP NA NA +MJ027546 9,10-Dihydro-2,7-dihydroxy-1,3,5-trimethoxyphenanthrene C17H18O5 302.115423 NA MeJP NA NA +MJ027547 9-Hydroxy-3-oxo-1,4(15),11(13)-eudesmatrien-12,6-olide, Ac C17H18O5 302.115423 NA MeJP NA NA +MJ027548 Alloimperatorin; 2',3'-Dihydro, 3'-hydroxy, Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027549 Asperxanthone; 2,3-Dihydro, 5-Me ether C17H18O5 302.115423 NA MeJP NA NA +MJ027550 Ceratiolin C17H18O5 302.115423 NA MeJP NA NA +MJ027551 Dihydrooroselol, O-Propanoyl C17H18O5 302.115423 NA MeJP NA NA +MJ027552 Eleutherin, 7-Methoxy C17H18O5 302.115423 NA MeJP NA NA +MJ027553 Funicin C17H18O5 302.115423 NA MeJP NA NA +MJ027554 Isomurralonginol; Ac C17H18O5 302.115423 NA MeJP NA NA +MJ027555 Longipesin; 9-O-Ac C17H18O5 302.115423 NA MeJP NA NA +MJ027556 Melanoxin C17H18O5 302.115423 NA MeJP NA NA +MJ027557 Notholaenic acid C17H18O5 302.115423 NA MeJP NA NA +MJ027558 Oncocalyxone A C17H18O5 302.115423 NA MeJP NA NA +MJ027559 Oncocalyxone B C17H18O5 302.115423 NA MeJP NA NA +MJ027560 Onosone B C17H18O5 302.115423 NA MeJP NA NA +MJ027561 Proxicromil C17H18O5 302.115423 NA MeJP NA NA +MJ027562 Sequirin C C17H18O5 302.115423 NA MeJP NA NA +MJ027563 Spiroelliptin C17H18O5 302.115423 NA MeJP NA NA +C11179 Pyronine Y C17H19N2O 302.1186 NA KEGG NA NA +3218 Casoxin YPYY 302.1205 MH2+ Inhouse_peptide NA peptide +MJ027564 Septorine C16H18N2O4 302.126657 NA MeJP NA NA +MJ027565 5,6-Epoxy-8-hydroxy-11-drimanoic acid, 3?-Chloro C15H23ClO4 302.128486 NA MeJP NA NA +3120 alpha-thymosin-1 K23 fr,:23-27 KEEAE 302.1285 MH2+ Inhouse_peptide NA peptide +MJ027566 Eprovafen C18H22O2S 302.13405 NA MeJP NA NA +MJ027567 Boronolide; Tri-de-Ac, 5'?-acetoxy C14H22O7 302.136553 NA MeJP NA NA +PJ000215 HF C15H18N4O3 302.1379 NA PeJP NA NA +C17729 Nicofetamide C20H18N2O 302.1419 NA KEGG NA NA +MJ027568 3-Pyridinecarboxamide; N'-(1,2-Diphenylethyl) C20H18N2O 302.141913 NA MeJP NA NA +MJ027569 Hedyocapitine C20H18N2O 302.141913 NA MeJP NA NA +MJ027570 Safinamide C17H19FN2O2 302.143056 NA MeJP NA NA +MJ027571 Neticonazole C17H22N2OS 302.145284 NA MeJP NA NA +MJ027572 Mycosporin glutamicol; Amide C13H22N2O6 302.147786 NA MeJP NA NA +MJ027573 Palythine-threonine; N3-Me C13H22N2O6 302.147786 NA MeJP NA NA +MJ027574 Palythine; 3-N-(2-Hydroxy-1-methylethyl) C13H22N2O6 302.147786 NA MeJP NA NA +HMDB00530 6-Ketoestriol C18H22O4 302.151794 NA HMDB2010 NA NA +HMDB05056 Enterodiol C18H22O4 302.151794 NA HMDB2010 NA NA +HMDB12270 Nordihydroguaiaretate C18H22O4 302.151794 NA HMDB2010 NA NA +C10302 Arnebinone C18H22O4 302.1518 NA KEGG NA NA +C10719 Nordihydroguaiaretic acid C18H22O4 302.1518 NA KEGG NA NA +C14243 3,3'-Dihydroxyhexestrol C18H22O4 302.1518 NA KEGG NA NA +C18166 Enterodiol C18H22O4 302.1518 NA KEGG NA NA +MJ027575 14(5?6)-Abeo-5,9-furanoeremophiladiene-9,14-diol, 9-Propanoyl C18H22O4 302.151809 NA MeJP NA NA +MJ027576 3,12,13-Trihydroxy-8,11,13-podocarpatrien-7-one, 3-Ketone, 13-Me ether C18H22O4 302.151809 NA MeJP NA NA +MJ027577 3,3',4,4'-Tetrahydroxylignan C18H22O4 302.151809 NA MeJP NA NA +MJ027578 4,4',9,9'-Tetrahydroxylignan C18H22O4 302.151809 NA MeJP NA NA +MJ027579 4,6-Tetradecadiene-8,10-diyne-1,12-diol, Di-Ac C18H22O4 302.151809 NA MeJP NA NA +MJ027580 5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran; 2'',3''-Dihydro, 1''-oxo C18H22O4 302.151809 NA MeJP NA NA +MJ027581 5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran; ?1''-Isomer, 3''-hydroxy C18H22O4 302.151809 NA MeJP NA NA +MJ027582 6,12-Tetradecadiene-8,10-diyne-1,3-diol, Di-Ac C18H22O4 302.151809 NA MeJP NA NA +MJ027583 6-(Hydroxyacetyl)-2,2-dimethyl-2H-benzopyran; 2- (or 3)-Methylbutanoyl C18H22O4 302.151809 NA MeJP NA NA +MJ027584 6-Acetyl-2,3-dihydro-2,2-dimethyl-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; 1'?-Hydroxy C18H22O4 302.151809 NA MeJP NA NA +MJ027585 6-Acetyl-2,3-dihydro-2,2-dimethyl-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; ?1'-Isomer (E-), 3'-hydroxy C18H22O4 302.151809 NA MeJP NA NA +MJ027586 6-Hydroxyfuranoeremophil-1(10)-en-9-one, Propanoyl C18H22O4 302.151809 NA MeJP NA NA +MJ027587 8-Acetyl-5,7-dihydroxy-2,2-dimethyl-6-(3-methyl-2-butenyl)-2H-1-benzopyran C18H22O4 302.151809 NA MeJP NA NA +MJ027588 Arnebinone C18H22O4 302.151809 NA MeJP NA NA +MJ027589 Cannabiorcichromenic acid C18H22O4 302.151809 NA MeJP NA NA +MJ027590 Solanapyrone B; 1''-Aldehyde C18H22O4 302.151809 NA MeJP NA NA +MJ027591 Stoebenone C18H22O4 302.151809 NA MeJP NA NA +MJ027592 Terbucromil C18H22O4 302.151809 NA MeJP NA NA +MJ027593 Verimol D C18H22O4 302.151809 NA MeJP NA NA +MetaCyc02696 nordihydroguaiaretate [nordihydroguaiaretic acid;] C18H22O4 302.151809 NA metacyc NA NA +HMDB05056 Enterodiol C18H22O4 302.15182 http://www.hmdb.ca/metabolites/HMDB05056 PFEM_hmdb_metabocards_urine NA urine +HMDB05056 Enterodiol C18H22O4 302.15182 http://www.hmdb.ca/metabolites/HMDB05056 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB05056 Enterodiol C18H22O4 302.15182 http://www.hmdb.ca/metabolites/HMDB05056 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00530 6-Ketoestriol C18H22O4 302.15182 http://www.hmdb.ca/metabolites/HMDB00530 HMDB NA NA +HMDB05056 Enterodiol C18H22O4 302.15182 http://www.hmdb.ca/metabolites/HMDB05056 HMDB NA NA +HMDB00530 6-Ketoestriol C18H22O4 302.15182 HMDB00530 PFEM_hmdb_metabocards_official NA NA +HMDB05056 Enterodiol C18H22O4 302.15182 HMDB05056 PFEM_hmdb_metabocards_official NA NA +3469 analogue of human b-CN (54-59) VGGIPY 302.1545 MH2+ Inhouse_peptide NA peptide +MJ027594 Sulfoorientalol A C15H26O4S 302.15518 NA MeJP NA NA +PJ000216 GVQ C12H22N4O5 302.159 NA PeJP NA NA +2723 erythromycin inhibitor MSLRV 302.1627 MH2+ Inhouse_peptide NA peptide +MJ027595 1-Aminopyrrolizidine, N1-(4-Methoxy-E-cinnamoyl), N4-oxide C17H22N2O3 302.163042 NA MeJP NA NA +MJ027596 1-Aminopyrrolizidine, N1-(4-Methoxy-Z-cinnamoyl), N4-oxide C17H22N2O3 302.163042 NA MeJP NA NA +MJ027597 Baptifoline; Ac C17H22N2O3 302.163042 NA MeJP NA NA +MJ027598 Emivirine C17H22N2O3 302.163042 NA MeJP NA NA +MJ027599 Piriferine; 2'-Hydroxy C17H22N2O3 302.163042 NA MeJP NA NA +MJ027600 Pseudophrynaminol, ar-Hydroxy, 4'-carboxylic acid, Me ester C17H22N2O3 302.163042 NA MeJP NA NA +MJ027601 Trichostatin A C17H22N2O3 302.163042 NA MeJP NA NA +MJ027602 4,19-Docosadiene-2,9,11,13,21-pentayn-1-ol C22H22O 302.167065 NA MeJP NA NA +MJ027603 N2-Arginylglutamine; L-L-form C11H22N6O4 302.170253 NA MeJP NA NA +PJ000217 QR C11H22N6O4 302.1703 NA PeJP NA NA +C13870 Tributyrin C15H26O6 302.1729 NA KEGG NA NA +MJ027604 Glycerol tributanoate C15H26O6 302.172938 NA MeJP NA NA +MJ027605 Iditol, 1,2;3,4;5,6-Tri-O-isopropylidene C15H26O6 302.172938 NA MeJP NA NA +MJ027606 Acanthoine C16H22N4O2 302.174275 NA MeJP NA NA +MJ027607 Aminopropylon C16H22N4O2 302.174275 NA MeJP NA NA +MJ027608 Aurantiamine C16H22N4O2 302.174275 NA MeJP NA NA +MJ027609 Viridamine C16H22N4O2 302.174275 NA MeJP NA NA +MJ027610 Xanthine; 7H-form, 1,3-Bis(3-methyl-2-butenyl), 7-Me C16H22N4O2 302.174275 NA MeJP NA NA +2728 erythromycin inhibitor MILKT 302.1747 MH2+ Inhouse_peptide NA peptide +3734 NA RKSSK 302.1765 MH2+ Inhouse_peptide NA peptide +MJ027611 Tandamine C18H26N2S 302.181669 NA MeJP NA NA +MJ027612 1,9-Heptadecadiene-4,6-diyne-3,8-diol, 3-Ac C19H26O3 302.188194 NA MeJP NA NA +MJ027613 1,9-Heptadecadiene-4,6-diyne-3,8-diol, 8-Ac C19H26O3 302.188194 NA MeJP NA NA +MJ027614 1-Hydroxy-3-nor-15-beyerene-2,12-dione C19H26O3 302.188194 NA MeJP NA NA +MJ027615 11,17-Dihydroxyandrosta-1,4-dien-3-one C19H26O3 302.188194 NA MeJP NA NA +MJ027616 16-Hydroxyandrost-4-ene-3,17-dione; 16?-form C19H26O3 302.188194 NA MeJP NA NA +MJ027617 17-Hydroxyandrost-4-ene-3,11-dione; 17?-form C19H26O3 302.188194 NA MeJP NA NA +MJ027618 18-Nor-3,8,11,13-abietatetraene-3,14,15-triol C19H26O3 302.188194 NA MeJP NA NA +MJ027619 2,9-Heptadecadiene-4,6-diyne-1,8-diol, 1-Ac C19H26O3 302.188194 NA MeJP NA NA +MJ027620 2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone C19H26O3 302.188194 NA MeJP NA NA +MJ027621 2-Alkyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furans; 2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan C19H26O3 302.188194 NA MeJP NA NA +MJ027622 3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxybenzoic acid, Me ether, Me ester C19H26O3 302.188194 NA MeJP NA NA +MJ027623 3-Hydroxy-19-nor-15-beyerene-2,12-dione C19H26O3 302.188194 NA MeJP NA NA +MJ027624 3-Hydroxy-8,10-dimethyl-11-phenyl-5,8-undecadienoic acid C19H26O3 302.188194 NA MeJP NA NA +MJ027625 3-Hydroxy-9,11-eremophiladien-8-one, O-(2-Methyl-2-propenoyl) C19H26O3 302.188194 NA MeJP NA NA +MJ027626 4,15-Dihydroxy-18-nor-8,11,13-abietatrien-7-one C19H26O3 302.188194 NA MeJP NA NA +MJ027627 4-(3,7-Dimethyl-2,6-octadienyl)-3-hydroxybenzoic acid; Me ether, Me ester C19H26O3 302.188194 NA MeJP NA NA +MJ027628 4-(4-Nonylphenyl)-4-oxo-2-butenoic acid C19H26O3 302.188194 NA MeJP NA NA +MJ027629 4-Acetylamphilectolide C19H26O3 302.188194 NA MeJP NA NA +MJ027630 4-Hydroxy-18-nor-8,11,13-abietatrien-7-one; 4-Epimer, 4-hydroperoxide C19H26O3 302.188194 NA MeJP NA NA +MJ027631 4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid; Me ether, Me ester C19H26O3 302.188194 NA MeJP NA NA +MJ027632 4-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.188194 NA MeJP NA NA +MJ027633 9,16-Heptadecadiene-4,6-diyn-3-ol, 9,10-Epoxide, Ac C19H26O3 302.188194 NA MeJP NA NA +MJ027634 Acalycixeniolide B; 6?,7?-Epoxide C19H26O3 302.188194 NA MeJP NA NA +MJ027635 Allethrin C19H26O3 302.188194 NA MeJP NA NA +MJ027636 Auroglaucin; 1',2',3',4'-Tetrahydro C19H26O3 302.188194 NA MeJP NA NA +MJ027637 Auroglaucin; 3',4',5',6'-Tetrahydro C19H26O3 302.188194 NA MeJP NA NA +MJ027638 Cannabielsoin A; 3-Propyl analogue C19H26O3 302.188194 NA MeJP NA NA +MJ027639 Estra-1,3,5(10)-triene-3,16,17-triol, 3-Me ether C19H26O3 302.188194 NA MeJP NA NA +MJ027640 Estra-1,3,5(10)-triene-3,16,17-triol, 17-Me ether C19H26O3 302.188194 NA MeJP NA NA +MJ027641 Estra-1,3,5(10)-triene-3,16,17-triol, 3-Me ether C19H26O3 302.188194 NA MeJP NA NA +MJ027642 Furanoeremophilan-3-ol, 2-Methylpropenoyl C19H26O3 302.188194 NA MeJP NA NA +MJ027643 Jatrowedione C19H26O3 302.188194 NA MeJP NA NA +MJ027644 Ocimepyrone C19H26O3 302.188194 NA MeJP NA NA +MJ027645 Panaxydol; Ac C19H26O3 302.188194 NA MeJP NA NA +MJ027646 Paradol; [8]Paradol, 1,2,4,5-Tetradehydro C19H26O3 302.188194 NA MeJP NA NA +MJ027647 Pellialactone C19H26O3 302.188194 NA MeJP NA NA +MJ027648 Testololactone C19H26O3 302.188194 NA MeJP NA NA +MJ027649 Villiramulin A C19H26O3 302.188194 NA MeJP NA NA +MJ027650 p-Menth-1-ene-8,9-diol, 9-(3-Phenylpropanoyl) C19H26O3 302.188194 NA MeJP NA NA +MJ027651 11beta-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.188194 NA MeJP NA NA +MJ027652 16alpha-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.188194 NA MeJP NA NA +MJ027653 19-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.188194 NA MeJP NA NA +MJ027654 7alpha-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.188194 NA MeJP NA NA +MetaCyc02697 testololactone [13,17-secoandrost-4-en-17-oic acid, 13-hydroxy-3-oxo-, δ- lactone;D-homo-17α-oxaandrost-4-ene-3,17-dione;17α-oxa-D-homoandrost-4-ene-3,17-dione;hydrotestolactone;3-oxo-13,17-secoandrost-4-ene-17,13α-lactone;] C19H26O3 302.188195 4416-57-3 metacyc NA NA +MetaCyc02698 3-oxo-13,17-secoandrost-4-ene-17,13α-lactone [Testololactone;] C19H26O3 302.188195 NA metacyc NA NA +MetaCyc02699 2-methoxyestradiol [2-methoxy-estradiol-17b;] C19H26O3 302.188195 NA metacyc NA NA +MetaCyc02700 19-oxo-testosterone [19-aldehyde-testosterone;] C19H26O3 302.188195 NA metacyc NA NA +HMDB00405 2-Methoxyestradiol C19H26O3 302.1882 http://www.hmdb.ca/metabolites/HMDB00405 PFEM_hmdb_metabocards_urine NA urine +HMDB00405 2-Methoxyestradiol C19H26O3 302.1882 http://www.hmdb.ca/metabolites/HMDB00405 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03955 19-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.1882 http://www.hmdb.ca/metabolites/HMDB03955 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00405 2-Methoxyestradiol C19H26O3 302.1882 http://www.hmdb.ca/metabolites/HMDB00405 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00405 2-Methoxyestradiol C19H26O3 302.1882 http://www.hmdb.ca/metabolites/HMDB00405 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00380 2-Hydroxyestradiol-3-methylether C19H26O3 302.1882 http://www.hmdb.ca/metabolites/HMDB00380 HMDB NA NA +HMDB00405 2-Methoxyestradiol C19H26O3 302.1882 http://www.hmdb.ca/metabolites/HMDB00405 HMDB NA NA +HMDB03955 19-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.1882 http://www.hmdb.ca/metabolites/HMDB03955 HMDB NA NA +HMDB06771 7alpha-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.1882 http://www.hmdb.ca/metabolites/HMDB06771 HMDB NA NA +HMDB06773 11beta-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.1882 http://www.hmdb.ca/metabolites/HMDB06773 HMDB NA NA +HMDB06774 16alpha-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.1882 http://www.hmdb.ca/metabolites/HMDB06774 HMDB NA NA +C04676 Testololactone C19H26O3 302.1882 NA KEGG NA NA +C05140 16alpha-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.1882 NA KEGG NA NA +C05284 11beta-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.1882 NA KEGG NA NA +C05290 19-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.1882 NA KEGG NA NA +C05295 19-Oxotestosterone C19H26O3 302.1882 NA KEGG NA NA +C05296 7alpha-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.1882 NA KEGG NA NA +C05302 2-Methoxyestradiol-17beta C19H26O3 302.1882 NA KEGG NA NA +C05305 Ferricytochrome b-561 C19H26O3 302.1882 NA KEGG NA NA +C14256 11-Keto-testosterone C19H26O3 302.1882 NA KEGG NA NA +C14269 5alpha-Androstane-3,11,17-trione C19H26O3 302.1882 NA KEGG NA NA +C14337 Bioallethrin C19H26O3 302.1882 NA KEGG NA NA +C14593 Epimestrol C19H26O3 302.1882 NA KEGG NA NA +C14907 7alpha,17beta-Dihydroxyandrosta-1,4-dien-3-one C19H26O3 302.1882 NA KEGG NA NA +C15072 6beta,19-Epoxy-17beta-hydroxyandrost-4-en-3-one C19H26O3 302.1882 NA KEGG NA NA +C15103 11alpha,17beta-Dihydroxy-1,4-androstadien-3-one C19H26O3 302.1882 NA KEGG NA NA +C15216 3-Methoxyestriol C19H26O3 302.1882 NA KEGG NA NA +HMDB00405 2-Methoxyestradiol C19H26O3 302.1882 http://www.hmdb.ca/metabolites/HMDB00405 PFEM_hmdb_metabocards_blood NA blood +HMDB03955 19-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.1882 http://www.hmdb.ca/metabolites/HMDB03955 PFEM_hmdb_metabocards_blood NA blood +HMDB00380 2-Hydroxyestradiol-3-methylether C19H26O3 302.1882 HMDB00380 PFEM_hmdb_metabocards_official NA NA +HMDB00405 2-Methoxyestradiol C19H26O3 302.1882 HMDB00405 PFEM_hmdb_metabocards_official NA NA +HMDB03955 19-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.1882 HMDB03955 PFEM_hmdb_metabocards_official NA NA +HMDB06771 7alpha-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.1882 HMDB06771 PFEM_hmdb_metabocards_official NA NA +HMDB06773 11beta-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.1882 HMDB06773 PFEM_hmdb_metabocards_official NA NA +HMDB06774 16alpha-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.1882 HMDB06774 PFEM_hmdb_metabocards_official NA NA +HMDB00380 2-Hydroxyestradiol-3-methyl ether C19H26O3 302.188202 NA HMDB2010 NA NA +HMDB00405 2-Methoxyestradiol C19H26O3 302.188202 NA HMDB2010 NA NA +HMDB03955 19-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.188202 NA HMDB2010 NA NA +HMDB06771 7a-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.188202 NA HMDB2010 NA NA +HMDB06773 11b-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.188202 NA HMDB2010 NA NA +HMDB06774 16a-Hydroxyandrost-4-ene-3,17-dione C19H26O3 302.188202 NA HMDB2010 NA NA +7586 ACE inhibitor KR 302.195 antioxidative Inhouse_peptide NA peptide +PJ000218 GVK C13H26N4O4 302.1954 NA PeJP NA NA +MJ027655 Sannamycin K C13H26N4O4 302.195405 NA MeJP NA NA +MJ027656 1,4-Butanediamine; N-E-Cinnamoyl, N'-(2-methylbutanoyl) C18H26N2O2 302.199428 NA MeJP NA NA +MJ027657 Benzastatin F C18H26N2O2 302.199428 NA MeJP NA NA +PJ000219 KR C12H26N6O3 302.2066 NA PeJP NA NA +MJ027658 2,16-Dihydroxy-9-oxohexadecanoic acid C16H30O5 302.209324 NA MeJP NA NA +MJ027659 7-Hydroxyhexadecanedioic acid C16H30O5 302.209324 NA MeJP NA NA +MJ027660 8-Hydroxyhexadecanedioic acid C16H30O5 302.209324 NA MeJP NA NA +MJ027661 Koninginin G C16H30O5 302.209324 NA MeJP NA NA +MJ027662 Alniditan C17H26N4O 302.210661 NA MeJP NA NA +MJ027663 Emedastine C17H26N4O 302.210661 NA MeJP NA NA +C07785 Emedastine C17H26N4O 302.2107 NA KEGG NA NA +C07786 Transferred to D00670 C17H26N4O 302.2107 NA KEGG NA NA +C07787 Transferred to D00671 C17H26N4O 302.2107 NA KEGG NA NA +C07788 Transferred to D00672 C17H26N4O 302.2107 NA KEGG NA NA +HMDB01999 Eicosapentaenoic acid C20H30O2 302.224579 NA HMDB2010 NA NA +HMDB03598 Retinyl ester C20H30O2 302.224579 NA HMDB2010 NA NA +EUR086 Retinyl ester C20H30O2 302.22458 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR129 n-3eicosapentaenoicacid (C20:5) C20H30O2 302.22458 Wishlist PFEM_hmdb_metabocards_urine NA urine +HMDB01852 Retinoic acid C20H30O2 302.22458 http://www.hmdb.ca/metabolites/HMDB01852 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01999 Eicosapentaenoic acid C20H30O2 302.22458 http://www.hmdb.ca/metabolites/HMDB01999 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03598 Retinyl ester C20H30O2 302.22458 http://www.hmdb.ca/metabolites/HMDB03598 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR086 Retinyl ester C20H30O2 302.22458 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR129 n-3eicosapentaenoicacid (C20:5) C20H30O2 302.22458 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR086 Retinyl ester C20H30O2 302.22458 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR129 n-3eicosapentaenoicacid (C20:5) C20H30O2 302.22458 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR086 Retinyl ester C20H30O2 302.22458 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR129 n-3eicosapentaenoicacid (C20:5) C20H30O2 302.22458 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01852 Retinoic acid C20H30O2 302.22458 http://www.hmdb.ca/metabolites/HMDB01852 HMDB NA NA +HMDB01999 Eicosapentaenoic acid C20H30O2 302.22458 http://www.hmdb.ca/metabolites/HMDB01999 HMDB NA NA +HMDB03598 Retinyl ester C20H30O2 302.22458 http://www.hmdb.ca/metabolites/HMDB03598 HMDB NA NA +EUR086 Retinyl ester C20H30O2 302.22458 Wishlist HMDB NA NA +EUR129 n-3eicosapentaenoicacid (C20:5) C20H30O2 302.22458 Wishlist HMDB NA NA +EUR086 Retinyl ester C20H30O2 302.22458 Wishlist Inhouse_PFEM NA NA +EUR129 n-3eicosapentaenoicacid (C20:5) C20H30O2 302.22458 Wishlist Inhouse_PFEM NA NA +MJ027664 Abietate C20H30O2 302.22458 NA MeJP NA NA +MJ027665 1(10),13-Halimadien-15,16-olide C20H30O2 302.22458 NA MeJP NA NA +MJ027666 1(10),15-Rosadien-18-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027667 1(10),4-Cadinadien-9-ol; 9?-form, Angeloyl C20H30O2 302.22458 NA MeJP NA NA +MJ027668 1(15),7,9-Dolastatriene-4,14-diol C20H30O2 302.22458 NA MeJP NA NA +MJ027669 1(19),6,13-Xenicatrien-17,18-olide; 10?H-form C20H30O2 302.22458 NA MeJP NA NA +MJ027670 1(9),6,13-Xenicatrien-19,18-olide C20H30O2 302.22458 NA MeJP NA NA +MJ027671 1,20-Epoxy-1,3(20),6,10,14-phytapentaen-13-one, 13S-Alcohol C20H30O2 302.22458 NA MeJP NA NA +MJ027672 1,3(15),6-Humulatrien-14-ol; Angeloyl C20H30O2 302.22458 NA MeJP NA NA +MJ027673 1,3,7,11-Cembratetraen-19-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027674 1,3,7,11-Cembratetraen-20-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027675 1,3-Dolastadiene-9,13-diol; 5,14-Diepimer, 13-ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027676 1,6,13-Xenicatrien-18,19-olide C20H30O2 302.22458 NA MeJP NA NA +MJ027677 1-Hydroxy-15-beyeren-2-one C20H30O2 302.22458 NA MeJP NA NA +MJ027678 10,11-Epoxy-1,3(20),6,14-phytatetraen-13-one C20H30O2 302.22458 NA MeJP NA NA +MJ027679 10-Hydroxy-11-cyathen-13-one; 10?-form C20H30O2 302.22458 NA MeJP NA NA +MJ027680 10-Hydroxy-13(15),17-spatadien-12-al C20H30O2 302.22458 NA MeJP NA NA +MJ027681 10-Hydroxy-15-rosen-19-oic acid; ent-10?-form, 19 ?10 Lactone C20H30O2 302.22458 NA MeJP NA NA +MJ027682 10-Hydroxy-3,7,11,15-cembratetraen-5-one C20H30O2 302.22458 NA MeJP NA NA +MJ027683 11,16-Epoxy-3-kauranol, 3-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027684 11-Hydroxy-5,15-rosadien-7-one; 11?-form C20H30O2 302.22458 NA MeJP NA NA +MJ027685 11-Hydroxy-8(14),15-isopimaradien-7-one; 11?-form C20H30O2 302.22458 NA MeJP NA NA +MJ027686 11-Hydroxy-8,15-isopimaradien-7-one; 11?-form C20H30O2 302.22458 NA MeJP NA NA +MJ027687 12,15-Cleistanthadien-19-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027688 12,15-Epoxy-8(17),12,14-labdatriene; ent-form, 7?-Hydroxy C20H30O2 302.22458 NA MeJP NA NA +MJ027689 12-Hydroxy-6,9(11)-abietadien-14-one; 12?-form C20H30O2 302.22458 NA MeJP NA NA +MJ027690 12-Hydroxy-8(14),15-pimaradien-2-one C20H30O2 302.22458 NA MeJP NA NA +MJ027691 12-Hydroxy-8,15-isopimaradien-7-one; 12?-form C20H30O2 302.22458 NA MeJP NA NA +MJ027692 12-Isocopalene-15,16-dial C20H30O2 302.22458 NA MeJP NA NA +MJ027693 12-Spongien-16-one C20H30O2 302.22458 NA MeJP NA NA +MJ027694 13(17),15-Cleistanthadien-19-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027695 13-Atisene-3,16-diol, 3-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027696 13-Villanoven-19-ol; ent-form, 19-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027697 14,15-Epoxy-8(17),12-labdadien-16-al C20H30O2 302.22458 NA MeJP NA NA +MJ027698 14-Hydroxy-16-kauren-15-one C20H30O2 302.22458 NA MeJP NA NA +MJ027699 14-Serrulatene-8,18-diol C20H30O2 302.22458 NA MeJP NA NA +MJ027700 15,16-Epoxy-12-cleistathen-11-one C20H30O2 302.22458 NA MeJP NA NA +MJ027701 15,16-Epoxy-13(16),14-clerodadien-2-one C20H30O2 302.22458 NA MeJP NA NA +MJ027702 15,16-Epoxy-3,13(16),14-clerodatrien-17-ol; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027703 15,16-Epoxy-3,13(16),14-clerodatrien-6-ol C20H30O2 302.22458 NA MeJP NA NA +MJ027704 15,16-Epoxy-3-kauranone C20H30O2 302.22458 NA MeJP NA NA +MJ027705 15,16-Epoxy-4(18),13(16),14-clerodatrien-3-ol C20H30O2 302.22458 NA MeJP NA NA +MJ027706 15,16-Epoxy-7,13(16),14-labdatrien-17-ol; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027707 15,16-Epoxy-8(17),11,13-labdatrien-16-ol C20H30O2 302.22458 NA MeJP NA NA +MJ027708 15,16-Epoxy-8(17),13(16),14-labdatrien-19-oic acid, 19-Alcohol C20H30O2 302.22458 NA MeJP NA NA +MJ027709 15,16-Epoxy-8(17),13(16),14-labdatrien-2-ol C20H30O2 302.22458 NA MeJP NA NA +MJ027710 15,16-Epoxy-8(17),13(16),14-labdatrien-7-ol C20H30O2 302.22458 NA MeJP NA NA +MJ027711 15,16-Epoxy-8-isopimaren-7-one; 15?-form C20H30O2 302.22458 NA MeJP NA NA +MJ027712 15-Beyeren-1-ol, 1-Ketone, 15?,16?-epoxide C20H30O2 302.22458 NA MeJP NA NA +MJ027713 15-Beyeren-17-ol; ent-form, 17-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027714 15-Beyeren-18-oic acid; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027715 15-Beyeren-19-ol; ent-form, Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027716 15-Beyeren-3-ol, 15?,16?-Epoxide, 3-ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027717 15-Beyerene-3,12-diol, 12-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027718 15-Cupressen-19-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027719 15-Hydroxy-3,11,13-prenyleudesmatrien-2-one C20H30O2 302.22458 NA MeJP NA NA +MJ027720 15-Hydroxy-8(17),11,13-labdatrien-16-al C20H30O2 302.22458 NA MeJP NA NA +MJ027721 15-Kauren-17-ol; ent-form, 17-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027722 15-Kauren-18-oic acid; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027723 15-Kauren-19-al; ent-form, 19-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027724 15-Kaurene-7,18-diol, 7-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027725 16-Atisen-19-ol; ent-form, Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027726 16-Kauren-19-ol; ent-form, 19-Aldehyde, 16?,17-epoxide C20H30O2 302.22458 NA MeJP NA NA +MJ027727 16-Kauren-19-ol; ent-form, 19-Aldehyde, 16?,17-epoxide C20H30O2 302.22458 NA MeJP NA NA +MJ027728 16-Kauren-19-ol; ent-form, 19-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027729 16-Kaurene-11,15-diol, 15-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027730 16-Kaurene-13,19-diol; ent-form, 19-Aldehyde C20H30O2 302.22458 NA MeJP NA NA +MJ027731 16-Kaurene-15,18-diol, 15-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027732 16-Kaurene-3,15-diol, 15-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027733 16-Kaurene-7,15-diol, 15-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027734 17,19-Kauranediol, 17,19-Dialdehyde C20H30O2 302.22458 NA MeJP NA NA +MJ027735 17-Hydroxy-15-beyeren-1-one; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027736 17-Hydroxy-17-methylandrost-4-en-3-one C20H30O2 302.22458 NA MeJP NA NA +MJ027737 17-Hydroxy-8(14),13(15)-abietadien-16-al; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027738 18-Hydroxy-1(9),6,13-xenicatrien-19-al; 18-Aldehyde C20H30O2 302.22458 NA MeJP NA NA +MJ027739 18-Trachylobanol; ent-form, 18-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027740 19-Helvifulvanol; ent-form, 19-Carboxlylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027741 19-Hydroxy-15-beyeren-1-one; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027742 19-Hydroxy-8(14),15-isopimaradien-7-one C20H30O2 302.22458 NA MeJP NA NA +MJ027743 19-Trachylobanoic acid; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027744 19-Vouacapanol C20H30O2 302.22458 NA MeJP NA NA +MJ027745 2,12-Kauranedione C20H30O2 302.22458 NA MeJP NA NA +MJ027746 2,16-Epoxy-1(15),3,7,11-cembratetraene, (3S,4R)-Epoxide C20H30O2 302.22458 NA MeJP NA NA +MJ027747 2,16-Epoxy-1(15),3,8(19),11-cembratetraen-7-ol C20H30O2 302.22458 NA MeJP NA NA +MJ027748 2,16:11,12-Diepoxy-1(15),3,7-cembratriene C20H30O2 302.22458 NA MeJP NA NA +MJ027749 2,16:7,8-Diepoxy-1(15),3,11-cembratriene C20H30O2 302.22458 NA MeJP NA NA +MJ027750 2,3-Epoxy-5,15-rosadien-12-ol C20H30O2 302.22458 NA MeJP NA NA +MJ027751 2,4(18),13-Clerodatrien-15-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027752 2,4,7,11-Cembratetraen-20-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027753 2,6,9-Humulatrien-1-ol, Angeloyl C20H30O2 302.22458 NA MeJP NA NA +MJ027754 2-Bornanol, O-(2E,6Z,8E-Decatrienoyl) C20H30O2 302.22458 NA MeJP NA NA +MJ027755 2-Hydroxy-12,15-cassadien-11-one; 2?-form C20H30O2 302.22458 NA MeJP NA NA +MJ027756 2-Hydroxy-15-beyeren-1-one C20H30O2 302.22458 NA MeJP NA NA +MJ027757 2-Hydroxy-8(14),15-isopimaradien-7-one; 2?-form C20H30O2 302.22458 NA MeJP NA NA +MJ027758 3,12,14-Clerodatrien-18-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027759 3,12,14-Clerodatrien-20-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027760 3,13(16),14-Clerodatrien-17-ol; ent-form, 17-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027761 3,13(16),14-Clerodatrien-18-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027762 3,13-Clerodadien-15,16-olide; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027763 3,13-Clerodadiene-15,17-diol, 15,17-Dialdehyde C20H30O2 302.22458 NA MeJP NA NA +MJ027764 3,15-Dihydroxy-7,13-labdadien-2-one, 15-Aldehyde, 3-deoxy C20H30O2 302.22458 NA MeJP NA NA +MJ027765 3,15-Erythroxyladien-18-oic acid; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027766 3,15-Kauranedione C20H30O2 302.22458 NA MeJP NA NA +MJ027767 3,4-Epoxy-13(15),16,18-sphenolobatrien-5-ol C20H30O2 302.22458 NA MeJP NA NA +MJ027768 3,4-Epoxy-13,15,17-sphenolobatrien-5-ol C20H30O2 302.22458 NA MeJP NA NA +MJ027769 3,4-Epoxy-15-valparen-2-one C20H30O2 302.22458 NA MeJP NA NA +MJ027770 3,4-Epoxy-7,11,15(17)-cembratrien-16-ol, 16-Aldehyde C20H30O2 302.22458 NA MeJP NA NA +MJ027771 3,4-Epoxy-7,11,15-cembratrien-13-one C20H30O2 302.22458 NA MeJP NA NA +MJ027772 3,4-Epoxy-7,12(18)-dolabelladien-13-one C20H30O2 302.22458 NA MeJP NA NA +MJ027773 3,4-Seco-4(18),8(17),12,14-labdatetraen-3-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027774 3,4-Seco-4(18)-trachyloben-3-oic acid; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027775 3,7,11,15(17)-Cembratetraen-16-ol, 16-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027776 3,7,11,15-Cembratetraen-14-ol, 11,12-Epoxide, 14-ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027777 3,7,11,15-Cembratetraen-14-ol, 3?,4?-Epoxide, 14-ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027778 3,7,11,15-Cembratetraen-19-ol; Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027779 3,7,11,15-Tetramethyl-2,4,6,10,14-hexadecapentaenoic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027780 3,7,12(18)-Dolabellatrien-13-one, 7?,8?-Epoxide C20H30O2 302.22458 NA MeJP NA NA +MJ027781 3,7,18-Dolabellatrien-14-one, 3?,4?-Epoxide C20H30O2 302.22458 NA MeJP NA NA +MJ027782 3,7,18-Dolabellatrien-17-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027783 3,7-Dolabelladiene-2,13-dione C20H30O2 302.22458 NA MeJP NA NA +MJ027784 3-Hydroxy-1(10),15-rosadien-2-one C20H30O2 302.22458 NA MeJP NA NA +MJ027785 3-Hydroxy-1,4,6,10,14-phytapentaen-13-one C20H30O2 302.22458 NA MeJP NA NA +MJ027786 3-Hydroxy-1,4,6,11,14-phytapentaen-13-one C20H30O2 302.22458 NA MeJP NA NA +MJ027787 3-Hydroxy-15-beyeren-2-one C20H30O2 302.22458 NA MeJP NA NA +MJ027788 3-Hydroxy-16-kauren-2-one C20H30O2 302.22458 NA MeJP NA NA +MJ027789 3-Hydroxy-8-kempen-6-one C20H30O2 302.22458 NA MeJP NA NA +MJ027790 3-Sphenolobene-5,16-dione; 17,18-Didehydro C20H30O2 302.22458 NA MeJP NA NA +MJ027791 4(18),13-Clerodadien-15,16-olide; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027792 4(18),8,12-Eunicellatrien-19-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027793 5(10),13-Halimadien-15,16-olide C20H30O2 302.22458 NA MeJP NA NA +MJ027794 5(4?19)-Abeo-15,16-epoxy-3,13(16),14-clerodatrien-5-ol C20H30O2 302.22458 NA MeJP NA NA +MJ027795 5,7,9,14,17-Eicosapentaenoic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027796 5,8,10,12,14-Eicosapentaenoic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027797 5,8,11,14,17-Eicosapentaenoic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027798 5-Vouacapenol; 5?-form C20H30O2 302.22458 NA MeJP NA NA +MJ027799 6-Hydroxy-11,12-seco-3,7,11-dolabellatrien-12-one, 6-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027800 6-Hydroxy-3,7,12-dolabellatrien-14-one C20H30O2 302.22458 NA MeJP NA NA +MJ027801 6-Vouacapanol; 6?-form C20H30O2 302.22458 NA MeJP NA NA +MJ027802 7,12,14-Labdatrien-17-ol, Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027803 7,13-Abietadien-18-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027804 7,13-Abietadien-19-ol; Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027805 7,13-Labdadien-15,16-olide; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027806 7,13-Labdadien-16,15-olide; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027807 7,15-Isopimaradien-17-ol, 17-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027808 7,15-Isopimaradien-18-ol; 18-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027809 7,15-Isopimaradien-19-ol, 19-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027810 7,15-Pimaradien-19-oic acid; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027811 7,16-Epoxy-1(15),8-dolastadien-14-ol C20H30O2 302.22458 NA MeJP NA NA +MJ027812 7,17-Sacculatadien-12,11-olide C20H30O2 302.22458 NA MeJP NA NA +MJ027813 7,17-Sacculatadiene-11,12-dial; 9?H-form C20H30O2 302.22458 NA MeJP NA NA +MJ027814 7,17-Sacculatadiene-11,12-dial; 9à H-form C20H30O2 302.22458 NA MeJP NA NA +MJ027815 7,8-Epoxy-1(15),3,11-cembratrien-16,2-olide, 16-Deoxo C20H30O2 302.22458 NA MeJP NA NA +MJ027816 7,8-Epoxy-3,12-dolabelladien-14-one C20H30O2 302.22458 NA MeJP NA NA +MJ027817 7,8-Epoxy-4-basmen-6-one C20H30O2 302.22458 NA MeJP NA NA +MJ027818 7-Dolabellene-2,13-dione; 12,18-Didehydro C20H30O2 302.22458 NA MeJP NA NA +MJ027819 7-Hydroxy-1,3,5,10,14-phytapentaen-13-one C20H30O2 302.22458 NA MeJP NA NA +MJ027820 7-Hydroxy-8,13-abietadien-19-al; 7?-form C20H30O2 302.22458 NA MeJP NA NA +MJ027821 7-Hydroxy-8,15-pimaradien-19-oic acid, 7-Ketone, 19-alcohol C20H30O2 302.22458 NA MeJP NA NA +MJ027822 8(14),12-Abietadien-18-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027823 8(14),13(15)-Abietadien-18-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027824 8(14),15-Isopimaradien-18-ol; 18-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027825 8(14),15-Isopimaradien-19-ol; 19-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027826 8(14),15-Isopimaradiene-1,9-diol, 1-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027827 8(14),15-Isopimaradiene-2,18-diol; ent-form, 2-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027828 8(14),15-Isopimaradiene-3,12-diol, 12-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027829 8(14),15-Isopimaradiene-3,7-diol, 3-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027830 8(14),15-Isopimaradiene-3,7-diol, 7-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027831 8(14),15-Pimaradien-18-al; 18-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027832 8(14),15-Pimaradien-19-oic acid; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027833 8(14),15-Pimaradiene-3,12-diol, 12-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027834 8(14),15-Pimaradiene-3,12-diol, 3-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027835 8(17),12,14-Labdatrien-18-ol, 18-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027836 8(17),12,14-Labdatrien-19-ol, Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027837 8(17),12,14-Labdatrien-19-ol, 19-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027838 8(17),12,14-Labdatriene-3,19-diol, 19-Aldehyde C20H30O2 302.22458 NA MeJP NA NA +MJ027839 8(17),12-Labdadiene-15,16-diol, 15,16-Dialdehyde C20H30O2 302.22458 NA MeJP NA NA +MJ027840 8(17),13(16),14-Labdatrien-18-oic acid; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027841 8(17),13(16),14-Labdatrien-19-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027842 8(17),13-Gnaphaladien-15-ol, Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027843 8(17),13-Labdadien-15,16-olide; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027844 8(17),13-Labdadien-16,15-olide; ent-form C20H30O2 302.22458 NA MeJP NA NA +MJ027845 8(17),13-Labdadiene-2,15-diol, 15-Aldehyde, 2-ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027846 8,11,13-Abietatrien-12-ol; 5?-form, 14-Hydroxy C20H30O2 302.22458 NA MeJP NA NA +MJ027847 8,11,13-Abietatrien-12-ol; 5?-form, 15-Hydroxy C20H30O2 302.22458 NA MeJP NA NA +MJ027848 8,11,13-Abietatrien-12-ol; 5?-form, 16-Hydroxy C20H30O2 302.22458 NA MeJP NA NA +MJ027849 8,11,13-Abietatriene-1,18-diol; 1?-form C20H30O2 302.22458 NA MeJP NA NA +MJ027850 8,11,13-Abietatriene-11,14-diol C20H30O2 302.22458 NA MeJP NA NA +MJ027851 8,11,13-Abietatriene-12,18-diol C20H30O2 302.22458 NA MeJP NA NA +MJ027852 8,11,13-Abietatriene-12,19-diol C20H30O2 302.22458 NA MeJP NA NA +MJ027853 8,11,13-Abietatriene-12,20-diol C20H30O2 302.22458 NA MeJP NA NA +MJ027854 8,11,13-Abietatriene-15,18-diol C20H30O2 302.22458 NA MeJP NA NA +MJ027855 8,11,13-Abietatriene-15,19-diol C20H30O2 302.22458 NA MeJP NA NA +MJ027856 8,11,13-Abietatriene-2,12-diol; 2?-form C20H30O2 302.22458 NA MeJP NA NA +MJ027857 8,11,13-Abietatriene-2,19-diol; 2?-form C20H30O2 302.22458 NA MeJP NA NA +MJ027858 8,11,13-Abietatriene-3,12-diol C20H30O2 302.22458 NA MeJP NA NA +MJ027859 8,11,13-Abietatriene-3,14-diol C20H30O2 302.22458 NA MeJP NA NA +MJ027860 8,11,13-Abietatriene-3,19-diol C20H30O2 302.22458 NA MeJP NA NA +MJ027861 8,11,13-Abietatriene-6,12-diol C20H30O2 302.22458 NA MeJP NA NA +MJ027862 8,11,13-Abietatriene-7,15-diol C20H30O2 302.22458 NA MeJP NA NA +MJ027863 8,11,13-Abietatriene-7,18-diol; 7?-form C20H30O2 302.22458 NA MeJP NA NA +MJ027864 8,11,13-Icetexatriene-10,12-diol; 10?-form C20H30O2 302.22458 NA MeJP NA NA +MJ027865 8,11,13-Totaratriene-13,19-diol C20H30O2 302.22458 NA MeJP NA NA +MJ027866 8,11,13-Totaratriene-3,13-diol C20H30O2 302.22458 NA MeJP NA NA +MJ027867 8,11,13-Totaratriene-7,13-diol C20H30O2 302.22458 NA MeJP NA NA +MJ027868 8,11,14-Eicosatrien-5-ynoic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027869 8,12:15,16-Diepoxy-13(16),14-labdadiene C20H30O2 302.22458 NA MeJP NA NA +MJ027870 8,13-Abietadien-18-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027871 8,13-Abietadien-19-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027872 8,15-Isopimaradien-18-oic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027873 8,15-Isopimaradiene-7,18-diol, 7-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027874 8,17-Sacculatadiene-11,13-dial C20H30O2 302.22458 NA MeJP NA NA +MJ027875 9(11),15-Isopimaradien-19-ol; ent-form, 19-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027876 9(11),15-Isopimaradiene-3,19-diol, 3-Ketone C20H30O2 302.22458 NA MeJP NA NA +MJ027877 9(11),15-Pimaradien-19-ol; ent-form, 19-Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027878 9(11),16-Kauradiene-6,15-diol C20H30O2 302.22458 NA MeJP NA NA +MJ027879 9,10-Seco-1(10),8,13-labdatrien-15,16-diol, 15,16-Dialdehyde C20H30O2 302.22458 NA MeJP NA NA +MJ027880 9-Hydroxy-1,3-dolastadien-6-one C20H30O2 302.22458 NA MeJP NA NA +MJ027881 Abeoanticopalic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027882 Ambliofuran; 12-Hydroxy C20H30O2 302.22458 NA MeJP NA NA +MJ027883 Asperketal D; 13,14-Didehydro C20H30O2 302.22458 NA MeJP NA NA +MJ027884 Bicyclogermacren-3-ol, Angeloyl C20H30O2 302.22458 NA MeJP NA NA +MJ027885 Bisocimenone; 14,15-Dihydro C20H30O2 302.22458 NA MeJP NA NA +MJ027886 Candicopimaric acid C20H30O2 302.22458 NA MeJP NA NA +MJ027887 Coraxeniolide A C20H30O2 302.22458 NA MeJP NA NA +MJ027888 Dictyol A C20H30O2 302.22458 NA MeJP NA NA +MJ027889 Dilopholone C20H30O2 302.22458 NA MeJP NA NA +MJ027890 Divarinone C20H30O2 302.22458 NA MeJP NA NA +MJ027891 Epoxydilopholone C20H30O2 302.22458 NA MeJP NA NA +MJ027892 Euphorhylonal A C20H30O2 302.22458 NA MeJP NA NA +MJ027893 Focardin C20H30O2 302.22458 NA MeJP NA NA +MJ027894 Luffarin W C20H30O2 302.22458 NA MeJP NA NA +MJ027895 Metenolone C20H30O2 302.22458 NA MeJP NA NA +MJ027896 Metogest C20H30O2 302.22458 NA MeJP NA NA +MJ027897 Mibolerone C20H30O2 302.22458 NA MeJP NA NA +MJ027898 Neodenudatenone A C20H30O2 302.22458 NA MeJP NA NA +MJ027899 Norethandrolone C20H30O2 302.22458 NA MeJP NA NA +MJ027900 Obtunone C20H30O2 302.22458 NA MeJP NA NA +MJ027901 Oligandrol; 3,4-Didehydro C20H30O2 302.22458 NA MeJP NA NA +MJ027902 Oxendolone C20H30O2 302.22458 NA MeJP NA NA +MJ027903 Oxogestone C20H30O2 302.22458 NA MeJP NA NA +MJ027904 Pachylactone C20H30O2 302.22458 NA MeJP NA NA +MJ027905 Polyrhaphin D C20H30O2 302.22458 NA MeJP NA NA +MJ027906 Sanadaol C20H30O2 302.22458 NA MeJP NA NA +MJ027907 Stenbolone C20H30O2 302.22458 NA MeJP NA NA +MJ027908 Strobol; Carboxylic acid C20H30O2 302.22458 NA MeJP NA NA +MJ027909 Tricyclodictyofuran A C20H30O2 302.22458 NA MeJP NA NA +MJ027910 Yuexiandajisu A; 5-Deoxy C20H30O2 302.22458 NA MeJP NA NA +MetaCyc02701 oryzalexin A [] C20H30O2 302.22458 NA metacyc NA NA +MetaCyc02702 (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate [] C20H30O2 302.22458 NA metacyc NA NA +MetaCyc02703 (5Z,7E,9E,14Z,17Z) eicosapentaenoate [] C20H30O2 302.22458 NA metacyc NA NA +MetaCyc02704 ent-kaurenoate [ent-kaur-16-en-19-oate;ent-kaurenoic acid;] C20H30O2 302.22458 NA metacyc NA NA +HMDB01852 Retinoic acid C20H30O2 302.22458 http://www.hmdb.ca/metabolites/HMDB01852 PFEM_hmdb_metabocards_blood NA blood +HMDB01999 Eicosapentaenoic acid C20H30O2 302.22458 http://www.hmdb.ca/metabolites/HMDB01999 PFEM_hmdb_metabocards_blood NA blood +HMDB03598 Retinyl ester C20H30O2 302.22458 http://www.hmdb.ca/metabolites/HMDB03598 PFEM_hmdb_metabocards_blood NA blood +EUR086 Retinyl ester C20H30O2 302.22458 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR129 n-3eicosapentaenoicacid (C20:5) C20H30O2 302.22458 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR086 Retinyl ester C20H30O2 302.22458 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR129 n-3eicosapentaenoicacid (C20:5) C20H30O2 302.22458 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB01852 Retinoic acid C20H30O2 302.22458 HMDB01852 PFEM_hmdb_metabocards_official NA NA +HMDB01999 Eicosapentaenoic acid C20H30O2 302.22458 HMDB01999 PFEM_hmdb_metabocards_official NA NA +HMDB03598 Retinyl ester C20H30O2 302.22458 HMDB03598 PFEM_hmdb_metabocards_official NA NA +EUR086 Retinyl ester C20H30O2 302.2246 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR129 n-3eicosapentaenoicacid (C20:5) C20H30O2 302.2246 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR086 Retinyl ester C20H30O2 302.2246 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR129 n-3eicosapentaenoicacid (C20:5) C20H30O2 302.2246 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR086 Retinyl ester C20H30O2 302.2246 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR129 n-3eicosapentaenoicacid (C20:5) C20H30O2 302.2246 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR086 Retinyl ester C20H30O2 302.2246 Wishlist Inhousejuil11 NA NA +EUR129 n-3eicosapentaenoicacid (C20:5) C20H30O2 302.2246 Wishlist Inhousejuil11 NA NA +C06087 Abietate C20H30O2 302.2246 NA KEGG NA NA +C06428 (5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid C20H30O2 302.2246 NA KEGG NA NA +C07198 Methyltestosterone C20H30O2 302.2246 NA KEGG NA NA +C09118 Isopimaric acid C20H30O2 302.2246 NA KEGG NA NA +C09148 Oryzalexin A C20H30O2 302.2246 NA KEGG NA NA +C09159 (+)-Pimaric acid C20H30O2 302.2246 NA KEGG NA NA +C11874 Kaur-16-en-18-oic acid C20H30O2 302.2246 NA KEGG NA NA +C11888 L-Pimaric acid C20H30O2 302.2246 NA KEGG NA NA +C11889 Neoabietic acid C20H30O2 302.2246 NA KEGG NA NA +C12077 Palustric acid C20H30O2 302.2246 NA KEGG NA NA +C12083 (5Z,7E,9E,14Z,17Z)-Eicosapentaenoic acid C20H30O2 302.2246 NA KEGG NA NA +C14255 Mibolerone C20H30O2 302.2246 NA KEGG NA NA +C14490 Stenbolone C20H30O2 302.2246 NA KEGG NA NA +C14588 17beta-Hydroxy-7alpha-methylandrost-4-en-3-one C20H30O2 302.2246 NA KEGG NA NA +C14890 17beta-Hydroxy-6beta-methylandrost-4-en-3-one C20H30O2 302.2246 NA KEGG NA NA +C15003 17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one C20H30O2 302.2246 NA KEGG NA NA +C15008 1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1- C20H30O2 302.2246 NA KEGG NA NA +C15017 17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde C20H30O2 302.2246 NA KEGG NA NA +C15036 2alpha-Methyl-5alpha-androstane-3,17-dione C20H30O2 302.2246 NA KEGG NA NA +C15070 17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one C20H30O2 302.2246 NA KEGG NA NA +C15184 17beta-Hydroxy-6alpha-methylandrost-4-en-3-one C20H30O2 302.2246 NA KEGG NA NA +C15188 19-Nor-5alpha-pregnane-3,20-dione C20H30O2 302.2246 NA KEGG NA NA +C15259 17beta-Hydroxy-2alpha,17-dimethylestr-4-en-3-one C20H30O2 302.2246 NA KEGG NA NA +C15318 17abeta-Hydroxy-D-homoandrost-4-en-3-one C20H30O2 302.2246 NA KEGG NA NA +C15412 17beta-Hydroxy-4-methylandrost-4-en-3-one C20H30O2 302.2246 NA KEGG NA NA +C15460 17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one C20H30O2 302.2246 NA KEGG NA NA +EUR503 Acide eicosapentaenoique 20 :5 F1 NA 302.225125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR503 Acide eicosapentaenoique 20 :5 F1 NA 302.225125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR503 Acide eicosapentaenoique 20 :5 F1 NA 302.225125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR503 Acide eicosapentaenoique 20 :5 F1 NA 302.225125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR503 Acide eicosapentaenoique 20 :5 F1 NA 302.225125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR503 Acide eicosapentaenoique 20 :5 F1 NA 302.225125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR503 Acide eicosapentaenoique 20 :5 F1 NA 302.225125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR503 Acide eicosapentaenoique 20 :5 F1 NA 302.225125 standards wishlist analysés sur QTOF HMDB NA NA +EUR503 Acide eicosapentaenoique 20 :5 F1 NA 302.225125 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR503 Acide eicosapentaenoique 20 :5 F1 NA 302.225125 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR503 Acide eicosapentaenoique 20 :5 F1 NA 302.225125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR503 Acide eicosapentaenoique 20 :5 F1 NA 302.225125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR495 8(9)-EET F2 F2 302.226525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR495 8(9)-EET F2 NA 302.226525 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR495 8(9)-EET F2 F2 302.226525 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR495 8(9)-EET F2 NA 302.226525 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR495 8(9)-EET F2 F2 302.226525 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR495 8(9)-EET F2 NA 302.226525 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR495 8(9)-EET F2 F2 302.226525 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR495 8(9)-EET F2 F2 302.226525 standards wishlist analysés sur QTOF HMDB NA NA +EUR495 8(9)-EET F2 F2 302.226525 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR495 8(9)-EET F2 NA 302.226525 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR495 8(9)-EET F2 F2 302.226525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR495 8(9)-EET F2 F2 302.226525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0716 2,6 dimethylheptanoyl carnitine [(M+H)]+ (13C) C1513CH32NO4 302.228075 C18rt(min)=8.06 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0717 Nonanoylcarnitine [(M+H)]+ (13C) C1513CH32NO4 302.228075 C18rt(min)=8.18 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0716 2,6 dimethylheptanoyl carnitine [(M+H)]+ (13C) C1513CH32NO4 302.228075 C18rt(min)=8.06 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0717 Nonanoylcarnitine [(M+H)]+ (13C) C1513CH32NO4 302.228075 C18rt(min)=8.18 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +EUR491 19-HETE F2 F2 302.229125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR491 19-HETE F2 NA 302.229125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR491 19-HETE F2 F2 302.229125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR491 19-HETE F2 NA 302.229125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR491 19-HETE F2 F2 302.229125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR491 19-HETE F2 NA 302.229125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR491 19-HETE F2 F2 302.229125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR491 19-HETE F2 F2 302.229125 standards wishlist analysés sur QTOF HMDB NA NA +EUR491 19-HETE F2 F2 302.229125 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR491 19-HETE F2 NA 302.229125 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR491 19-HETE F2 F2 302.229125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR491 19-HETE F2 F2 302.229125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ027911 Theonelladine A; 3',4'-Dihydro, 9',10'-didehydro(Z), oxime C19H30N2O 302.235813 NA MeJP NA NA +MJ027912 Theonelladine A; Oxime C19H30N2O 302.235813 NA MeJP NA NA +HMDB11530 MG(0:0/14:0/0:0) C17H34O4 302.245697 NA HMDB2010 NA NA +HMDB11561 MG(14:0/0:0/0:0) C17H34O4 302.245697 NA HMDB2010 NA NA +MJ027913 10,17-Dihydroxyheptadecanoic acid C17H34O4 302.245709 NA MeJP NA NA +MJ027914 8,16-Dihydroxyhexadecanoic acid, Me ester C17H34O4 302.245709 NA MeJP NA NA +MJ027915 Glycerol 1-alkanoates; Glycerol 1-tetradecanoate C17H34O4 302.245709 NA MeJP NA NA +MJ027916 1,15-Valparadien-3-ol, Me ether C21H34O 302.260965 NA MeJP NA NA +MJ027917 1,15-Valparadien-3-ol; 3?-form, Me ether C21H34O 302.260965 NA MeJP NA NA +MJ027918 2,15-Valparadien-1-ol, Me ether C21H34O 302.260965 NA MeJP NA NA +MJ027919 2,4,7,11-Cembratetraen-10-ol, Me ether C21H34O 302.260965 NA MeJP NA NA +MJ027920 3-Pentadecylphenol; 10,11?-Didehydro C21H34O 302.260965 NA MeJP NA NA +MJ027921 8,10,13(15),16-Lobatetraen-18-ol; Me ether C21H34O 302.260965 NA MeJP NA NA +MetaCyc02705 pregnan-21-al [2-[(10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)]acetaldehyde;] C21H34O1 302.260966 NA metacyc NA NA +C00891 Pregnan-21-al C21H34O 302.261 NA KEGG NA NA +C10785 (15:1)-Cardanol C21H34O 302.261 NA KEGG NA NA +C14482 3beta-Hydroxypregn-5-ene C21H34O 302.261 NA KEGG NA NA +MJ027922 Theonelladine A; N-Me C20H34N2 302.272199 NA MeJP NA NA +MJ027923 2-Methyl-2-phenylpentadecane C22H38 302.297351 NA MeJP NA NA +MJ027924 20,21,22,23,24,25,26,27-Octanordammarane C22H38 302.297351 NA MeJP NA NA +MJ027925 3,15-Docosadien-1-yne C22H38 302.297351 NA MeJP NA NA +MJ027926 Caldohexamine C15H38N6 302.315795 NA MeJP NA NA +2715 erythromycin inhibitor MINQT 302.63615 MH2+ Inhouse_peptide NA peptide +MJ027927 (3,5-Dibromo-4-hydroxyphenyl)acetic acid; Me ether, nitrile C9H7Br2NO 302.889439 NA MeJP NA NA +MJ027928 5,7-Dibromo-6-methoxy-1H-indole C9H7Br2NO 302.889439 NA MeJP NA NA +MJ027929 6-Bromo-1,2-dihydro-2,2-bis(methylthio)-3H-indol-3-one C10H10BrNOS2 302.938717 NA MeJP NA NA +EUR241 Thiamin pyrophosphate F3 F3 302.977875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR241 Thiamine pyrophosphate F3 NA 302.977875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR241 Thiamin pyrophosphate F3 F3 302.977875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR241 Thiamine pyrophosphate F3 NA 302.977875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR241 Thiamin pyrophosphate F3 F3 302.977875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR241 Thiamine pyrophosphate F3 NA 302.977875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR241 Thiamin pyrophosphate F3 F3 302.977875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR241 Thiamin pyrophosphate F3 F3 302.977875 standards wishlist analysés sur QTOF HMDB NA NA +EUR241 Thiamin pyrophosphate F3 F3 302.977875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR241 Thiamine pyrophosphate F3 NA 302.977875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR241 Thiamin pyrophosphate F3 F3 302.977875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR241 Thiamin pyrophosphate F3 F3 302.977875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C14206 M1 C12H11Cl2NO4 303.0065 NA KEGG NA NA +MJ027930 3-(Aminomethyl)-5,6,7,8-tetrahydro-1-iodo-2-naphthalenol C11H14INO 303.012007 NA MeJP NA NA +MJ027931 Nedaplatin C2H8N2O3Pt 303.018266 NA MeJP NA NA +C12862 Nedaplatin C2H8N2O3Pt 303.0183 NA KEGG NA NA +C12863 Transferred to D01417 C2H8N2O3Pt 303.0183 NA KEGG NA NA +MJ027932 Glyclopyramide C11H14ClN3O3S 303.044439 NA MeJP NA NA +MJ027933 Iofetamine C12H18IN 303.048393 NA MeJP NA NA +FL7AECNS0001 6-Hydroxycyanidin C15H11O7 303.05047 42529-06-6 knapsack NA NA +MJ027934 Delphinidin C15H11O7 303.050477 NA MeJP NA NA +MetaCyc02706 delphinidin [delfinidin;] C15H11O7 303.050478 NA metacyc NA NA +C05908 Delphinidin C15H11O7 303.0505 NA KEGG NA NA +C08646 6-Hydroxycyanidin C15H11O7 303.0505 NA KEGG NA NA +MJ027935 1-(4-Methylphenylsulfonyl)-2-(4-nitrophenyl)ethylene C15H13NO4S 303.056528 NA MeJP NA NA +MJ027936 Phidolopin; N1,N3-Di-de-Me C12H9N5O5 303.060368 NA MeJP NA NA +MJ027937 Galamustine C10H19Cl2NO5 303.064028 NA MeJP NA NA +CJpos0718 Phenylacetylglutamine [(M+K)]+ (13C) C1213CH16KN2O4 303.069675 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0718 Phenylacetylglutamine [(M+K)]+ (13C) C1213CH16KN2O4 303.069675 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MetaCyc02707 O-D-Alanyl-poly(ribitol phosphate) [] C8H18N1O9P1 303.071918 NA metacyc NA NA +MJ027938 2-Benzamidobenzoic acid; 2',4'-Dihydroxy, 4-methoxy C15H13NO6 303.074287 NA MeJP NA NA +MJ027939 Chlorambucil C14H19Cl2NO2 303.079284 NA MeJP NA NA +FL7DECNS0001 5-Methyl-6-hydroxyluteolinidin;6,7,3',4'-Tetrahydroxy-5-methoxy-flavylium C16H15O6 303.08686 - knapsack NA NA +MJ027940 5-Methylaminomethyl-2-thiouridine C11H17N3O5S 303.088891 NA MeJP NA NA +MJ027941 Cycasthioamide C11H17N3O5S 303.088891 NA MeJP NA NA +MetaCyc02708 5-methylaminomethyl-2-thiouridine [] C11H17N3O5S1 303.088891 NA metacyc NA NA +C08331 Gynocardin C12H17NO8 303.0954 NA KEGG NA NA +MJ027942 Gynocardin C12H17NO8 303.095416 NA MeJP NA NA +MJ027943 Rutaecarpine; 1-Hydroxy C18H13N3O2 303.100776 NA MeJP NA NA +MJ027944 Rutaecarpine; 3-Hydroxy C18H13N3O2 303.100776 NA MeJP NA NA +MJ027945 Rutaecarpine; 7?-Hydroxy C18H13N3O2 303.100776 NA MeJP NA NA +C07825 Flumazenil C15H14FN3O3 303.1019 NA KEGG NA NA +MJ027946 Flumazenil C15H14FN3O3 303.101919 NA MeJP NA NA +MJ027947 Wallemia C; 4'-Chloro C17H18ClNO2 303.102606 NA MeJP NA NA +MJ027948 Antibiotic SF 2738E C15H17N3O2S 303.104147 NA MeJP NA NA +MJ027949 4-(5,7-Dihydroxy-2-methyl-4-oxo-4H-1-benzopyran-6-yl)-2-piperidinone; N-Me C16H17NO5 303.110672 NA MeJP NA NA +MJ027950 5,6-Dihydro-N-[3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenoyl]-2(1H)-pyridinone; 2',3'-Dihydro C16H17NO5 303.110672 NA MeJP NA NA +MJ027951 Cenocladamide C16H17NO5 303.110672 NA MeJP NA NA +MJ027952 Hydroxylunine C16H17NO5 303.110672 NA MeJP NA NA +MJ027953 Isopteleflorine C16H17NO5 303.110672 NA MeJP NA NA +MJ027954 Leucojum Base C C16H17NO5 303.110672 NA MeJP NA NA +MJ027955 Lunidonine; N-De-Me C16H17NO5 303.110672 NA MeJP NA NA +MJ027956 Neohydroxylunine C16H17NO5 303.110672 NA MeJP NA NA +MJ027957 Piplartine; 4'-O-De-Me C16H17NO5 303.110672 NA MeJP NA NA +MJ027958 Pteleflorine C16H17NO5 303.110672 NA MeJP NA NA +MJ027959 Ungminorine, 2-Epimer, O-de-Me C16H17NO5 303.110672 NA MeJP NA NA +MJ027960 Ungminorine, O-De-Me C16H17NO5 303.110672 NA MeJP NA NA +PJ000220 GNN C10H17N5O6 303.1179 NA PeJP NA NA +CJpos0719 Indoleacetyl glutamine [(M+H)]+ C15H18N3O4 303.121375 C18rt(min)=6.05 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0719 Indoleacetyl glutamine [(M+H)]+ C15H18N3O4 303.121375 C18rt(min)=6.05 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MetaCyc02709 indole-3-acetyl-gln [indole-3-acetyl-glutamine;] C15H17N3O4 303.121906 NA metacyc NA NA +HMDB13240 Indoleacetyl glutamine C15H17N3O4 303.121918 NA HMDB2010 NA NA +CJneg0507 Indoleacetyl glutamine [(M-H)]- C15H16N3O4 303.122425 C18rt(min)=6.05 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0507 Indoleacetyl glutamine [(M-H)]- C15H16N3O4 303.122425 C18rt(min)=6.05 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +PJ000221 GPM C12H21N3O4S 303.1253 NA PeJP NA NA +MJ027961 Mycosporin glutamicol C13H21NO7 303.131802 NA MeJP NA NA +MJ027962 Pipemidic acid C14H17N5O3 303.133139 NA MeJP NA NA +MJ027963 Evodiamine C19H17N3O 303.137162 NA MeJP NA NA +C09187 Evodiamine C19H17N3O 303.1372 NA KEGG NA NA +C13826 Retigabine C16H18FN3O2 303.1383 NA KEGG NA NA +MJ027964 [2-Amino-4-[[(4-fluorophenyl)methyl]amino]phenyl]carbamic acid; Et ester C16H18FN3O2 303.138305 NA MeJP NA NA +MJ027965 2-Chloro-N-[1-(3-methoxyphenyl)ethyl]benzenepropanamine C18H22ClNO 303.138992 NA MeJP NA NA +MJ027966 Chlorphenoxamine C18H22ClNO 303.138992 NA MeJP NA NA +MJ027967 Phenoxybenzamine C18H22ClNO 303.138992 NA MeJP NA NA +C07435 Phenoxybenzamine C18H22ClNO 303.139 NA KEGG NA NA +C07436 Transferred to D00507 C18H22ClNO 303.139 NA KEGG NA NA +C05324 Nicotianamine C12H21N3O6 303.143 NA KEGG NA NA +PJ000222 SPT C12H21N3O6 303.143 NA PeJP NA NA +MJ027968 N2-?-Glutamylornithine; L-L-form, N5-Ac C12H21N3O6 303.143035 NA MeJP NA NA +MJ027969 Nicotianamine C12H21N3O6 303.143035 NA MeJP NA NA +MetaCyc02710 nicotianamine [] C12H21N3O6 303.143035 34441-14-0 metacyc NA NA +PJ000223 GVE C12H21N3O6 303.1431 NA PeJP NA NA +MJ027970 Kikumycin A C13H17N7O2 303.144372 NA MeJP NA NA +17 Actomyosin VW 303.147 celiac toxic Inhouse_peptide NA peptide +3486 ACE inhibitor from sake lees VW 303.147 ACE inhibitor Inhouse_peptide NA peptide +MJ027971 5-Methoxy-2,2-dimethyl-2H-pyrano[2,3-b]quinoline; 8,9-Dimethoxy, 3,4-dihydro C17H21NO4 303.147058 NA MeJP NA NA +MJ027972 7-Methoxycrinan-11-ol C17H21NO4 303.147058 NA MeJP NA NA +MJ027973 8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-Cinnamoyl C17H21NO4 303.147058 NA MeJP NA NA +MJ027974 Aestivine C17H21NO4 303.147058 NA MeJP NA NA +MJ027975 Cocaine C17H21NO4 303.147058 NA MeJP NA NA +MJ027976 Crinosine C17H21NO4 303.147058 NA MeJP NA NA +MJ027977 Dasycarine C17H21NO4 303.147058 NA MeJP NA NA +MJ027978 Erysopitine C17H21NO4 303.147058 NA MeJP NA NA +MJ027979 Fenoterol C17H21NO4 303.147058 NA MeJP NA NA +MJ027980 Galanthamine, N-Oxide C17H21NO4 303.147058 NA MeJP NA NA +MJ027981 Galanthine; O10-De-Me C17H21NO4 303.147058 NA MeJP NA NA +MJ027982 Galanthine; O9-De-Me C17H21NO4 303.147058 NA MeJP NA NA +MJ027983 Glycocitlone A; 8-Methoxy C17H21NO4 303.147058 NA MeJP NA NA +MJ027984 Habranthine C17H21NO4 303.147058 NA MeJP NA NA +MJ027985 Haemanthamine, Dihydro C17H21NO4 303.147058 NA MeJP NA NA +MJ027986 Hydromorphinol C17H21NO4 303.147058 NA MeJP NA NA +MJ027987 Lunacridine, 3',4'-Didehydro C17H21NO4 303.147058 NA MeJP NA NA +MJ027988 Magnarcine C17H21NO4 303.147058 NA MeJP NA NA +MJ027989 Narcidine C17H21NO4 303.147058 NA MeJP NA NA +MJ027990 Piperlonguminine, 6-Methoxy C17H21NO4 303.147058 NA MeJP NA NA +MJ027991 Preskimmianine C17H21NO4 303.147058 NA MeJP NA NA +MJ027992 Pseudolycorine; O10-Me C17H21NO4 303.147058 NA MeJP NA NA +MJ027993 Rulodine C17H21NO4 303.147058 NA MeJP NA NA +MJ027994 Scopine; O-(2-Hydroxy-3-phenylpropanoyl) C17H21NO4 303.147058 NA MeJP NA NA +MJ027995 Scopolamine C17H21NO4 303.147058 NA MeJP NA NA +MJ027996 Solanapyrone B; 7?-Hydroxy, 1''-aldehyde, 4'-demethoxy, 4'-amino C17H21NO4 303.147058 NA MeJP NA NA +MJ027997 Solanapyrone B; 7?-Hydroxy, 1''-aldehyde, 4'-demethoxy, 4'-amino C17H21NO4 303.147058 NA MeJP NA NA +MJ027998 Wisanidine, 4,5-Dihydro C17H21NO4 303.147058 NA MeJP NA NA +MJ027999 Cocaine C17H21NO4 303.147058 NA MeJP NA NA +MJ028000 Scopolamine C17H21NO4 303.147058 NA MeJP NA NA +MetaCyc02711 scopolamine [] C17H21N1O4 303.147058 51-34-3 metacyc NA NA +HMDB03573 Scopolamine C17H21NO4 303.14706 http://www.hmdb.ca/metabolites/HMDB03573 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03573 Scopolamine C17H21NO4 303.14706 http://www.hmdb.ca/metabolites/HMDB03573 HMDB NA NA +HMDB03573 Scopolamine C17H21NO4 303.14706 http://www.hmdb.ca/metabolites/HMDB03573 PFEM_hmdb_metabocards_blood NA blood +HMDB03573 Scopolamine C17H21NO4 303.14706 HMDB03573 PFEM_hmdb_metabocards_official NA NA +HMDB03573 Scopolamine C17H21NO4 303.147064 NA HMDB2010 NA NA +C01416 Cocaine C17H21NO4 303.1471 NA KEGG NA NA +C01851 Scopolamine C17H21NO4 303.1471 NA KEGG NA NA +C08523 Carinatine C17H21NO4 303.1471 NA KEGG NA NA +C12172 11alpha-Hydroxygalanthamine C17H21NO4 303.1471 NA KEGG NA NA +MJ028001 N2-?-Glutamylarginine C11H21N5O5 303.154268 NA MeJP NA NA +PJ000224 ER C11H21N5O5 303.1543 NA PeJP NA NA +MJ028002 Antibiotic TAN 1169A C16H21N3O3 303.158291 NA MeJP NA NA +MJ028003 Bamaquimast C16H21N3O3 303.158291 NA MeJP NA NA +MetaCyc02712 N6-[(Indole-3-yl)acetyl]-L-lysine [] C16H21N3O3 303.158292 NA metacyc NA NA +C04211 N(6)-[(Indol-3-yl)acetyl]-L-lysine C16H21N3O3 303.1583 NA KEGG NA NA +C04212 3',5'-Cyclic nucleotide C5H8O6PR 303.1583 NA KEGG NA NA +C04213 Dolichyl diphosphooligosaccharide C36H63N2O17P2R 303.1583 NA KEGG NA NA +C04214 Phospho-[tyrosine-3-monoxygenase] C36H63N2O17P2R 303.1583 NA KEGG NA NA +C04215 Phospholipid methylene fatty acid C15H24O8PR3 303.1583 NA KEGG NA NA +PJ000225 VW C16H21N3O3 303.1583 NA PeJP NA NA +C15028 alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol C21H21NO 303.1623 NA KEGG NA NA +HMDB13328 Pimelylcarnitine C14H25NO6 303.168182 NA HMDB2010 NA NA +MJ028004 Aditeren; N4',N4'-Di-Me C15H21N5O2 303.169524 NA MeJP NA NA +MJ028005 Cyclo(arginylphenylalanyl) C15H21N5O2 303.169524 NA MeJP NA NA +MJ028006 Aptiganel C20H21N3 303.173547 NA MeJP NA NA +MJ028007 Decussine, 3?,14-Dihydro C20H21N3 303.173547 NA MeJP NA NA +MJ028008 3,3'-Bis(indolylmethyl)dimethylammonium C20H22N3(+) 303.173547 NA MeJP NA NA +MJ028009 Malindine C20H22N3(+) 303.173547 NA MeJP NA NA +PJ000226 ATL C13H25N3O5 303.1794 NA PeJP NA NA +MJ028010 3'-Methoxy-4'-O-methyljoubertiamine C18H25NO3 303.183443 NA MeJP NA NA +MJ028011 3,5-Bis(3-methyl-2-butenyl)-1H-indole; 2''S,3''-Epoxide, 2',3'-dihydro, 2'R,3'-dihydroxy C18H25NO3 303.183443 NA MeJP NA NA +MJ028012 3-Hydroxy-3-nonyl-2,4(1H,3H)-quinolinedione C18H25NO3 303.183443 NA MeJP NA NA +MJ028013 Alangine C18H25NO3 303.183443 NA MeJP NA NA +MJ028014 Atromepine C18H25NO3 303.183443 NA MeJP NA NA +MJ028015 Lycofoline; 8-Ketone, 5-Ac C18H25NO3 303.183443 NA MeJP NA NA +MJ028016 Lycopodium Base XI C18H25NO3 303.183443 NA MeJP NA NA +MJ028017 Oridine, N-Me C18H25NO3 303.183443 NA MeJP NA NA +MJ028018 Pipercallosidine C18H25NO3 303.183443 NA MeJP NA NA +MJ028019 Valindolmycin C17H25N3O2 303.194677 NA MeJP NA NA +MetaCyc02713 BAS 111 [] C17H25N3O2 303.194677 NA metacyc NA NA +MJ028020 Piroheptine C22H25N 303.198699 NA MeJP NA NA +CJpos0720 Hydroxyoctanoylcarnitine [(M+H)]+ C15H30NO5 303.204075 C18rt(min)=6.6 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0720 Hydroxyoctanoylcarnitine [(M+H)]+ C15H30NO5 303.204075 C18rt(min)=6.6 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ028021 1,2,3,4,5,6-Hexahydro-3-(2-methoxypropyl)-6,11,11-trimethyl-2,6-methano-3-benzazocin-9-ol C19H29NO2 303.219829 NA MeJP NA NA +MJ028022 Antibiotic NK 26588 C19H29NO2 303.219829 NA MeJP NA NA +MJ028023 Bornaprolol C19H29NO2 303.219829 NA MeJP NA NA +MJ028024 Cycloneosamandione C19H29NO2 303.219829 NA MeJP NA NA +MJ028025 Dihomosedinone C19H29NO2 303.219829 NA MeJP NA NA +MJ028026 Nexeridine C19H29NO2 303.219829 NA MeJP NA NA +MJ028027 Samandarine; 16-Ketone C19H29NO2 303.219829 NA MeJP NA NA +MJ028028 (4-Cyclopentyl-4-hydroxy-3-oxo-4-phenylbutyl)ethyldimethylammonium(1+) C19H30NO2(+) 303.219829 NA MeJP NA NA +CJpos0721 2,6 dimethylheptanoyl carnitine [(M+H)]+ (18O) C16H32NO318O 303.228975 C18rt(min)=8.06 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0722 Nonanoylcarnitine [(M+H)]+ (18O) C16H32NO318O 303.228975 C18rt(min)=8.18 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0721 2,6 dimethylheptanoyl carnitine [(M+H)]+ (18O) C16H32NO318O 303.228975 C18rt(min)=8.06 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0722 Nonanoylcarnitine [(M+H)]+ (18O) C16H32NO318O 303.228975 C18rt(min)=8.18 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB06012 Epimetendiol C20H31O2 303.23242 http://www.hmdb.ca/metabolites/HMDB06012 HMDB NA NA +HMDB06012 Epimetendiol C20H31O2 303.23242 HMDB06012 PFEM_hmdb_metabocards_official NA NA +HMDB01529 cis-Fenpropimorph C20H33NO 303.2562 http://www.hmdb.ca/metabolites/HMDB01529 HMDB NA NA +HMDB01529 cis-Fenpropimorph C20H33NO 303.2562 HMDB01529 PFEM_hmdb_metabocards_official NA NA +MetaCyc02714 cis-fenpropimorph [(+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)-2,6- dimethylmorpholine;cis-2,6-dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2- methylpropyl)morpholine;cis-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-2,6- dimethylmorpholine (9CI);morpholine, 2,6-dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2- methylpropyl)-, cis-;cis-4-(3-(p-tert-butylphenyl)-2-methylpropyl)-2,6- dimethylmorpholine;] C20H33N1O1 303.256215 NA metacyc NA NA +MJ028029 1-Hexadecylpyridinium(1+) C21H38N(+) 303.2926 NA MeJP NA NA +MJ028030 1,3,4-Tribromo-3-buten-2-one C4H3Br3O 303.773402 NA MeJP NA NA +MJ028031 1,4,4-Tribromo-3-buten-2-one C4H3Br3O 303.773402 NA MeJP NA NA +MJ028032 3,4,4-Tribromo-3-buten-2-one C4H3Br3O 303.773402 NA MeJP NA NA +MJ028033 2,3-Dibromo-3-phenylpropenoic acid C9H6Br2O2 303.873454 NA MeJP NA NA +C18104 2,3,7,8-Tetrachlorodibenzofuran C12H4Cl4O 303.9016 NA KEGG NA NA +C07459 Dichlorphenamide C6H6Cl2N2O4S2 303.9146 NA KEGG NA NA +MJ028034 4,5-Dichloro-1,3-benzenedisulfonic acid; Diamide C6H6Cl2N2O4S2 303.914603 NA MeJP NA NA +C15229 Ziram C20H26O3 303.9175 NA KEGG NA NA +MetaCyc02715 PbSO4 [anglesite;lead sulfate;] O4S1PB1 303.928365 NA metacyc NA NA +C14282 2-Furylmercury chloride C4H3ClHgO 303.9579 NA KEGG NA NA +MJ028035 Meridianin A; 6-Bromo C12H9BrN4O 303.995973 NA MeJP NA NA +MJ028036 Meridianin A; 7-Bromo C12H9BrN4O 303.995973 NA MeJP NA NA +MJ028037 Psammopemmin A C12H10BrN4O(+) 303.995973 NA MeJP NA NA +MetaCyc02716 2-bromoporphobilinogen [] C10H13N2O4BR1 304.00587 NA metacyc NA NA +FL3FAANSH001 6-Chloroapigenin C15H9ClO5 304.01385 75479-05-9 knapsack NA NA +MJ028038 1-Chloro-2,4,5-trihydroxy-7-methylanthraquinone C15H9ClO5 304.013851 NA MeJP NA NA +MJ028039 2-Chloro-1,3,8-trihydroxy-6-methylanthraquinone C15H9ClO5 304.013851 NA MeJP NA NA +MJ028040 6-Chloro-4',5,7-trihydroxyisoflavone C15H9ClO5 304.013851 NA MeJP NA NA +C10311 7-Chloroemodin C15H9ClO5 304.0139 NA KEGG NA NA +MJ028041 Delorazepam C15H10Cl2N2O 304.017018 NA MeJP NA NA +MJ028042 3,4,6,8-Tetrahydroxyxanthone-1-carboxylic acid C14H8O8 304.021917 NA MeJP NA NA +MJ028043 5-Acetyl-5'-(1-propynyl)-2,2'-bithiophene; 2''-Acetoxy C15H12O3S2 304.022785 NA MeJP NA NA +MJ028044 3-Hydroxykynurenine, O-Sulfate C10H12N2O7S 304.036521 NA MeJP NA NA +MJ028045 2H,9H-Furo[3,2-g:4,5-g']bis[1]benzopyran-2,9-dione C18H8O5 304.037173 NA MeJP NA NA +MJ028046 Gnidicoumarin C18H8O5 304.037173 NA MeJP NA NA +MetaCyc02717 thymidine 3'5'-cyclic monophosphate [] C10H13N2O7P1 304.046037 NA metacyc NA NA +HMDB01570 Thymidine 3',5'-cyclic monophosphate C10H13N2O7P 304.04605 http://www.hmdb.ca/metabolites/HMDB01570 HMDB NA NA +HMDB01570 Thymidine 3',5'-cyclic monophosphate C10H13N2O7P 304.04605 HMDB01570 PFEM_hmdb_metabocards_official NA NA +HMDB01570 Thymidine 3',5'-cyclic monophosphate C10H13N2O7P 304.046051 NA HMDB2010 NA NA +MJ028047 Tioxacin C14H12N2O4S 304.051777 NA MeJP NA NA +JH212 Taxifolin (=dihydroquercetin) [M+H]+ C15H12O7 304.0556 14.15 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH212 Taxifolin (=dihydroquercetin) [M+H]+ C15H12O7 304.0556 14.15 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH212 Taxifolin (=dihydroquercetin) [M+H]+ C15H12O7 304.0556 14.15 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH212 Taxifolin (=dihydroquercetin) [M+H]+ C15H12O7 304.0556 14.15 Inhousejuil11 NA NA +MJ028048 1,2,3,4,6,7,12,12b-Octahydroindolo[2,3-a]quinolizine, 10-Bromo C15H17BrN2 304.057511 NA MeJP NA NA +C01617 Taxifolin C15H12O7 304.0583 NA KEGG NA NA +C05911 Pentahydroxyflavanone C15H12O7 304.0583 NA KEGG NA NA +C12316 cis-Dihydroquercetin C15H12O7 304.0583 NA KEGG NA NA +FL1B3CNS0001 Nigrescin C15H12O7 304.0583 38076-40-3 knapsack NA NA +FL1BACNS0001 Alphitonin C15H12O7 304.0583 493-36-7 knapsack NA NA +FL2FAGNS0001 5,7,3',4',5'-Pentahydroxyflavanone C15H12O7 304.0583 81398-31-4 knapsack NA NA +FL4D1GNS0001 Dihydrorobinetin C15H12O7 304.0583 4382-33-6 knapsack NA NA +FL4D3CNS0001 8-Hydroxyfustin C15H12O7 304.0583 38081-18-4 knapsack NA NA +FL4D3CNS0002 (2R,3S)-3,7,8,3',4'-Pentahydroxyflavanone C15H12O7 304.0583 104265-26-1 knapsack NA NA +FL4DA8NS0002 3,5,7,2',5'-Pentahydroxyflavanone C15H12O7 304.0583 160389-08-2 knapsack NA NA +FL4DA8NS0005 3,5,7,2',6'-Pentahydroxyflavanone C15H12O7 304.0583 82854-32-8 knapsack NA NA +FL4DACNS0001 Dihydroquercetin;(2R,3R)-Taxifolin;Distylin C15H12O7 304.0583 17654-26-1 knapsack NA NA +FL4DALNS0001 Dihydromorin C15H12O7 304.0583 18422-83-8 knapsack NA NA +MJ028049 Pentahydroxyflavanone C15H12O7 304.058302 NA MeJP NA NA +MJ028050 Taxifolin C15H12O7 304.058302 NA MeJP NA NA +MJ028051 1,2,3,5,6-Pentahydroxyxanthone; 2,5-Di-Me ether C15H12O7 304.058302 NA MeJP NA NA +MJ028052 1,2,3,6,8-Pentahydroxyxanthone; 1,2-Di-Me ether C15H12O7 304.058302 NA MeJP NA NA +MJ028053 1,2,3,6,8-Pentahydroxyxanthone; 2,6-Di-Me ether C15H12O7 304.058302 NA MeJP NA NA +MJ028054 1,2,3,7,8-Pentahydroxyxanthone; 7,8-Di-Me ether C15H12O7 304.058302 NA MeJP NA NA +MJ028055 1,2,5,6,8-Pentahydroxyxanthone; 1,5-Di-Me ether C15H12O7 304.058302 NA MeJP NA NA +MJ028056 1,2,5,6,8-Pentahydroxyxanthone; 2,5-Di-Me ether C15H12O7 304.058302 NA MeJP NA NA +MJ028057 1,2,5,6,8-Pentahydroxyxanthone; 2,6-Di-Me ether C15H12O7 304.058302 NA MeJP NA NA +MJ028058 1,3,4,5,8-Pentahydroxyxanthone; 3,4-Di-Me ether C15H12O7 304.058302 NA MeJP NA NA +MJ028059 1,3,4,5,8-Pentahydroxyxanthone; 4,5-Di-Me ether C15H12O7 304.058302 NA MeJP NA NA +MJ028060 1,3,5,6,7-Pentahydroxyxanthone; 3,5-Di-Me ether C15H12O7 304.058302 NA MeJP NA NA +MJ028061 1,3,5,6,7-Pentahydroxyxanthone; 3,6-Di-Me ether C15H12O7 304.058302 NA MeJP NA NA +MJ028062 1,3,5,6,7-Pentahydroxyxanthone; 3,7-Di-Me ether C15H12O7 304.058302 NA MeJP NA NA +MJ028063 1,3,5,6,7-Pentahydroxyxanthone; 5,7-Di-Me ether C15H12O7 304.058302 NA MeJP NA NA +MJ028064 1,3,5,6,7-Pentahydroxyxanthone; 6,7-Di-Me ether C15H12O7 304.058302 NA MeJP NA NA +MJ028065 1,5,10-Trihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-6,9-dione C15H12O7 304.058302 NA MeJP NA NA +MJ028066 2',3,4',5,7-Pentahydroxyflavanone C15H12O7 304.058302 NA MeJP NA NA +MJ028067 2',3,5,5',7-Pentahydroxyflavanone C15H12O7 304.058302 NA MeJP NA NA +MJ028068 2',3,5,6',7-Pentahydroxyflavanone C15H12O7 304.058302 NA MeJP NA NA +MJ028069 2,3',4',5,7-Pentahydroxyflavanone C15H12O7 304.058302 NA MeJP NA NA +MJ028070 3',4',5,5',7-Pentahydroxyflavanone C15H12O7 304.058302 NA MeJP NA NA +MJ028071 3',4',5,7,8-Pentahydroxyflavanone C15H12O7 304.058302 NA MeJP NA NA +MJ028072 3,3',4',5',7-Pentahydroxyflavanone C15H12O7 304.058302 NA MeJP NA NA +MJ028073 3,3',4',5,7-Pentahydroxyflavanone C15H12O7 304.058302 NA MeJP NA NA +MJ028074 3,3',4',7,8-Pentahydroxyflavanone C15H12O7 304.058302 NA MeJP NA NA +MJ028075 Alphitonin C15H12O7 304.058302 NA MeJP NA NA +MJ028076 Bethancorol C15H12O7 304.058302 NA MeJP NA NA +MJ028077 Fulvic acid; 3-Deoxy, 3,4-didehydro, 7-Me ether C15H12O7 304.058302 NA MeJP NA NA +MJ028078 Haemoventosin C15H12O7 304.058302 NA MeJP NA NA +MJ028079 Nectriafurone C15H12O7 304.058302 NA MeJP NA NA +MJ028080 Nigrescin C15H12O7 304.058302 NA MeJP NA NA +MJ028081 Pratenol B C15H12O7 304.058302 NA MeJP NA NA +MJ028082 Ventilone C C15H12O7 304.058302 NA MeJP NA NA +MetaCyc02718 3',4',5'-pentahydroxyflavanone [dihydrotricetin;5,7,3',4',5'-pentahydroxyflavanone;] C15H12O7 304.058303 NA metacyc NA NA +MetaCyc02719 dihydroquercetin [(+)-taxifolin;(+)-dihydroquercetin;taxifolin;] C15H12O7 304.058303 480-18-2 metacyc NA NA +CJpos0723 Phenylacetylglutamine [(M+K)]+ (41K) C13H16K041KN2O4 304.064475 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0723 Phenylacetylglutamine [(M+K)]+ (41K) C13H16K041KN2O4 304.064475 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ028083 Arofylline C14H13ClN4O2 304.072703 NA MeJP NA NA +MJ028084 1,8-Dihydroxy-3-methylbenz[a]anthracene-7,12-dione C19H12O4 304.073558 NA MeJP NA NA +MJ028085 2,5,6-Trihydroxy-9-phenyl-1H-phenalen-1-one C19H12O4 304.073558 NA MeJP NA NA +MJ028086 2-Hydroxy-9-phenyl-1H-phenalen-1-one; 3',4'-Dihydroxy C19H12O4 304.073558 NA MeJP NA NA +MJ028087 2-Hydroxy-9-phenyl-1H-phenalen-1-one; 3,4'-Dihydroxy C19H12O4 304.073558 NA MeJP NA NA +MJ028088 2-Hydroxy-9-phenyl-1H-phenalen-1-one; 4,4'-Dihydroxy C19H12O4 304.073558 NA MeJP NA NA +MJ028089 4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione; 4'-Methoxy C19H12O4 304.073558 NA MeJP NA NA +MJ028090 Phlebiarubrone C19H12O4 304.073558 NA MeJP NA NA +C12397 Tetrangulol C19H12O4 304.0736 NA KEGG NA NA +MJ028091 Melphalan C13H18Cl2N2O2 304.074533 NA MeJP NA NA +MJ028092 Metamelfalan C13H18Cl2N2O2 304.074533 NA MeJP NA NA +MJ028093 3,5-Dihydroxy-2-methyl-4H-pyran-4-one; 3-O-?-D-Glucopyranoside C12H16O9 304.079432 NA MeJP NA NA +MJ028094 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one; 1'-O-?-D-Glucopyranoside C12H16O9 304.079432 NA MeJP NA NA +CJpos0724 Asp-Leu Asp-Ile [(M+H)+(NaCl)]+ C10H19ClN2NaO5 304.079675 C18rt(min)=4.95 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0724 Asp-Leu § Asp-Ile [(M+H)+(NaCl)]+ C10H19ClN2NaO5 304.079675 C18rt(min)=4.95 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJneg0508 Asp-Leu / Asp-Ile [(M-H)+(NaCl)]- C10H17ClN2NaO5 304.080725 C18rt(min)=4.95 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0508 Asp-Leu / Asp-Ile [(M-H)+(NaCl)]- C10H17ClN2NaO5 304.080725 C18rt(min)=4.95 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ028095 Clobuzarit C17H17ClO3 304.086622 NA MeJP NA NA +MJ028096 N?-Aspartylglutamic acid; L-L-form, N-Ac C11H16N2O8 304.090665 NA MeJP NA NA +MJ028097 N?-Aspartylglutamic acid; L-L-form, N-Ac C11H16N2O8 304.090665 NA MeJP NA NA +HMDB01067 N-Acetylaspartylglutamic acid C11H16N2O8 304.090668 NA HMDB2010 NA NA +HMDB01067 N-Acetylaspartylglutamic acid C11H16N2O8 304.09067 http://www.hmdb.ca/metabolites/HMDB01067 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01067 N-Acetylaspartylglutamic acid C11H16N2O8 304.09067 http://www.hmdb.ca/metabolites/HMDB01067 HMDB NA NA +HMDB01067 N-Acetylaspartylglutamic acid C11H16N2O8 304.09067 NA ;SYN:1,4-methyl-imidazoleacetic acid; 1,4-Methylimidazoleacetate; 1-Methyl-4-imidazoleacetate; 1-Methyl-4-imidazoleacetic acid; 1-Methylimidazole-4-acetate; 1-methyl-1H-Imidazole-4-acetate; 1-methyl-1H-Imidazole-4-acetic acid; Methylimidazole acetate; Methylimidazoleacetate; Methylimidazoleacetic acid; N tau-methylimidazoleacetic acid; Tele-methylimidazoleacetate; Tele-methylimidazoleacetic acid; MIAAH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB01067 N-Acetylaspartylglutamic acid C11H16N2O8 304.09067 http://www.hmdb.ca/metabolites/HMDB01067 PFEM_hmdb_metabocards_blood NA blood +HMDB01067 N-Acetylaspartylglutamic acid C11H16N2O8 304.09067 HMDB01067 PFEM_hmdb_metabocards_official NA NA +C12270 N-Acetyl-aspartyl-glutamate C11H16N2O8 304.0907 NA KEGG NA NA +MJ028098 Flobufen C17H14F2O3 304.0911 NA MeJP NA NA +FL1DHXNS0006 3,4,4',alpha-Tetrahydroxy-2'-methoxydihydrochalcone C16H16O6 304.09468 117614-80-9 knapsack NA NA +FL1DHYNS0005 4,2',4',beta-Tetrahydroxy-6'-methoxydihydrochalcone;4,2',4',beta-Tetrahydroxy-6'-methoxy-alpha,beta-dihydrochalcone C16H16O6 304.09468 220443-00-5 knapsack NA NA +FL63ADNS0001 Symplocosidin C16H16O6 304.09468 76549-34-3 knapsack NA NA +FL63AENS0001 Catechin 4'-methyl ether C16H16O6 304.09468 69912-75-0 knapsack NA NA +FL63CCNS0001 Catechin-7-methyl ether C16H16O6 304.09468 - knapsack NA NA +FL63CDNS0001 Catechin-3'-methyl ether C16H16O6 304.09468 - knapsack NA NA +FL6D3ANS0004 Ortin-4alpha-ol 8-methyl ether C16H16O6 304.09468 29799-89-1 knapsack NA NA +FL6D3ANS0005 Epioritin-4alpha-ol 8-methyl ether C16H16O6 304.09468 38412-80-5 knapsack NA NA +FLIC3LNS0004 (3R)-3',8-Dihydroxyvestitol;(3R)-7,8,2',3'-Tetrahydroxy-4'-methoxyisoflavan C16H16O6 304.09468 122587-87-5 knapsack NA NA +MJ028099 1,2,3,4,6-Dibenzofuranpentol; 1,3,4,6-Tetra-Me ether C16H16O6 304.094688 NA MeJP NA NA +MJ028100 1,2-Epoxy-3-hydroxy-13,14,15,16-tetranor-7,9(11)-labdadiene-12,17:19,6-diolide C16H16O6 304.094688 NA MeJP NA NA +MJ028101 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-hydroxy-1-propanone, 2'-Me ether C16H16O6 304.094688 NA MeJP NA NA +MJ028102 2',3',4',7,8-Pentahydroxyisoflavan, 4'-Me ether C16H16O6 304.094688 NA MeJP NA NA +MJ028103 2,2',4,4',6-Pentahydroxy-6'-methylbenzophenone; 2',4-Di-Me ether C16H16O6 304.094688 NA MeJP NA NA +MJ028104 2,3',4,4',6-Pentahydroxybenzophenone; 2,3',4-Tri-Me ether C16H16O6 304.094688 NA MeJP NA NA +MJ028105 2,3',4,4',6-Pentahydroxybenzophenone; 2,4,6-Tri-Me ether C16H16O6 304.094688 NA MeJP NA NA +MJ028106 2,3,4,6,7-Dibenzofuranpentol; 2,3,4,6-Tetra-Me ether C16H16O6 304.094688 NA MeJP NA NA +MJ028107 3,3',4',5,7-Pentahydroxyflavan, 3'-Me ether C16H16O6 304.094688 NA MeJP NA NA +MJ028108 3,3',4',5,7-Pentahydroxyflavan, 3-Me ether C16H16O6 304.094688 NA MeJP NA NA +MJ028109 3,3',4',5,7-Pentahydroxyflavan, 4'-Me ether C16H16O6 304.094688 NA MeJP NA NA +MJ028110 3,3',4',5,7-Pentahydroxyflavan, 7-Me ether C16H16O6 304.094688 NA MeJP NA NA +MJ028111 3,4,4',7,8-Pentahydroxyflavan, 8-Me ether C16H16O6 304.094688 NA MeJP NA NA +MJ028112 3,8,9-Trihydroxy-2,5-dioxo-1(6),3,7,9-cadinatetraen-14-al; 3-Me ether C16H16O6 304.094688 NA MeJP NA NA +MJ028113 3-(3,4-Dihydroxybenzyl)-3,4,7-chromantriol C16H16O6 304.094688 NA MeJP NA NA +MJ028114 3-[[4,5-Dihydroxy-2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-3,6-benzofurandiol C16H16O6 304.094688 NA MeJP NA NA +MJ028115 4-Methoxy-6-[2-(3,4-methylenedioxyphenyl)ethyl]-2H-pyran-2-one; 14-Methoxy C16H16O6 304.094688 NA MeJP NA NA +MJ028116 6-Methoxy-3',4'-dihydroisomicrominutin C16H16O6 304.094688 NA MeJP NA NA +MJ028117 7-Hydroxy-8-(3-hydroxy-2-oxopropyl)-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one C16H16O6 304.094688 NA MeJP NA NA +MJ028118 ?,2',4,4',6'-Pentahydroxydihydrochalcone, 2'-Me ether C16H16O6 304.094688 NA MeJP NA NA +MJ028119 Altersolanol A; 1,4-Dideoxy C16H16O6 304.094688 NA MeJP NA NA +MJ028120 Antibiotic JTNC 005 C16H16O6 304.094688 NA MeJP NA NA +MJ028121 Austrocortilutein C16H16O6 304.094688 NA MeJP NA NA +MJ028122 Austrocortirubin; 1-Deoxy C16H16O6 304.094688 NA MeJP NA NA +MJ028123 Aviprin C16H16O6 304.094688 NA MeJP NA NA +MJ028124 Bostrycin; 5,6-Dideoxy C16H16O6 304.094688 NA MeJP NA NA +MJ028125 Bostrycin; 6,10-Dideoxy C16H16O6 304.094688 NA MeJP NA NA +MJ028126 Cassialactone C16H16O6 304.094688 NA MeJP NA NA +MJ028127 Clavilactone C C16H16O6 304.094688 NA MeJP NA NA +MJ028128 Decursidinol, 3'-Ac C16H16O6 304.094688 NA MeJP NA NA +MJ028129 Fonsecin; 8-Me ether C16H16O6 304.094688 NA MeJP NA NA +MJ028130 Glochidiolide C16H16O6 304.094688 NA MeJP NA NA +MJ028131 Goughione C16H16O6 304.094688 NA MeJP NA NA +MJ028132 Griseofulvin, Dechloro, 2'-O-de-Me C16H16O6 304.094688 NA MeJP NA NA +MJ028133 Heraclenol C16H16O6 304.094688 NA MeJP NA NA +MJ028134 Herbarin C16H16O6 304.094688 NA MeJP NA NA +MJ028135 Javanicin; 8-Me ether C16H16O6 304.094688 NA MeJP NA NA +MJ028136 Khellactone, 10-Ac C16H16O6 304.094688 NA MeJP NA NA +MJ028137 Khellactone, 9-Ac C16H16O6 304.094688 NA MeJP NA NA +MJ028138 Nanaomycin A; 4a,10a-Dihydro C16H16O6 304.094688 NA MeJP NA NA +MJ028139 Nanaomycin E; 2'-Alcohol C16H16O6 304.094688 NA MeJP NA NA +MJ028140 Nidulalin A; 8,8a?-Dihydro C16H16O6 304.094688 NA MeJP NA NA +MJ028141 Protogenkwanin; 2',3',5',6-Tetrahydro, 4'-ketone C16H16O6 304.094688 NA MeJP NA NA +MJ028142 Protogenkwanin; 2',3'-Dihydro C16H16O6 304.094688 NA MeJP NA NA +MJ028143 Protosappanin B C16H16O6 304.094688 NA MeJP NA NA +MJ028144 Ventiloquinone I C16H16O6 304.094688 NA MeJP NA NA +C08740 beta-Cotonefuran C16H16O6 304.0947 NA KEGG NA NA +C08761 6-Methoxy-alpha-pyrufuran C16H16O6 304.0947 NA KEGG NA NA +MJ028145 Mannomustine C10H22Cl2N2O4 304.095662 NA MeJP NA NA +MJ028146 Diazinon, ANSI C12H21N2O3PS 304.101049 NA MeJP NA NA +C14324 Diazinon C12H21N2O3PS 304.1011 NA KEGG NA NA +MJ028147 2,4-Diamino-5,6-dihydroxypyrimidine; 5-O-?-D-Glucopyranoside C10H16N4O7 304.101898 NA MeJP NA NA +C08437 Vicine C10H16N4O7 304.1019 NA KEGG NA NA +PJ000227 GND C10H16N4O7 304.1019 NA PeJP NA NA +MJ028148 7-Methoxymitosene C15H16N2O5 304.105921 NA MeJP NA NA +MJ028149 Cytisus ruthenicus Alkaloid C15H16N2O5 304.105921 NA MeJP NA NA +MJ028150 N-(1H-Indol-3-ylacetyl)glutamic acid C15H16N2O5 304.105921 NA MeJP NA NA +MetaCyc02720 indole-3-acetyl-glu [indole-3-acetyl-glutamate;] C15H16N2O5 304.105922 NA metacyc NA NA +FL3F19NP0001 8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C20H16O3 304.10994 64125-32-2 knapsack NA NA +MJ028151 8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C20H16O3 304.109944 NA MeJP NA NA +MJ028152 2,2-Bis(hydroxymethyl)-1,3-propanediol; Tetra-Ac C13H20O8 304.115817 NA MeJP NA NA +MJ028153 6-Deoxy-3-O-methylaltrose; ?-L-Pyranose-form, Tri-Ac C13H20O8 304.115817 NA MeJP NA NA +MJ028154 Crassinodine C13H20O8 304.115817 NA MeJP NA NA +MJ028155 2,2-Di-1H-indol-3-ylpropanoic acid C19H16N2O2 304.121177 NA MeJP NA NA +MJ028156 2-(1H-Indol-3-ylmethyl)-1H-indole-3-acetic acid C19H16N2O2 304.121177 NA MeJP NA NA +MJ028157 3,6-Dibenzylidene-2,5-piperazinedione, N-Me C19H16N2O2 304.121177 NA MeJP NA NA +MJ028158 3,6-Dibenzylidene-5-methoxy-3,6-dihydro-2-pyrazinone C19H16N2O2 304.121177 NA MeJP NA NA +MJ028159 Ceciline C19H16N2O2 304.121177 NA MeJP NA NA +MJ028160 Mappicine, 18-Ketone C19H16N2O2 304.121177 NA MeJP NA NA +C09130 Ceceline C19H16N2O2 304.1212 NA KEGG NA NA +MJ028161 Leptanthin; 1-Deacyl, 1-(phenylacetyl) C16H20N2O2S 304.124548 NA MeJP NA NA +MJ028162 Leptanthin; N2-Deacyl, N2-(phenylacetyl) C16H20N2O2S 304.124548 NA MeJP NA NA +MJ028163 Tipindole C16H20N2O2S 304.124548 NA MeJP NA NA +CJpos0725 Indoleacetyl glutamine [(M+H)]+ (13C) C1413CH18N3O4 304.124675 C18rt(min)=6.05 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0725 Indoleacetyl glutamine [(M+H)]+ (13C) C1413CH18N3O4 304.124675 C18rt(min)=6.05 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJneg0509 Indoleacetyl glutamine [(M-H)]- (13C) C1413CH16N3O4 304.125825 C18rt(min)=6.05 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0509 Indoleacetyl glutamine [(M-H)]- (13C) C1413CH16N3O4 304.125825 C18rt(min)=6.05 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ028164 Dysiherbaine C12H20N2O7 304.127051 NA MeJP NA NA +MJ028165 Mugineic acid; 2'-Deoxy C12H20N2O7 304.127051 NA MeJP NA NA +C15485 2'-Deoxymugineic acid C12H20N2O7 304.1271 NA KEGG NA NA +MJ028166 Wybutine C13H16N6O3 304.128388 NA MeJP NA NA +MJ028167 (1,1-Dimethyl-2-propenyl)propanedioic acid; Methyl-phenacyl ester C17H20O5 304.131073 NA MeJP NA NA +MJ028168 1,10-Epoxy-8-hydroxy-3,11(13)-guaiadien-12,6-olide, Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028169 1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide, 1-Ketone, 6-Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028170 1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Ketone, 8-Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028171 1-(2,4-Dihydroxy-3,5-dimethylphenyl)-3-(2,4,5-trihydroxyphenyl)propane C17H20O5 304.131073 NA MeJP NA NA +MJ028172 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propanol, 2',4''-Di-Me ether C17H20O5 304.131073 NA MeJP NA NA +MJ028173 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,3',4'-Tri-Me ether C17H20O5 304.131073 NA MeJP NA NA +MJ028174 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,3',4-Tri-Me ether C17H20O5 304.131073 NA MeJP NA NA +MJ028175 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,3',5-Tri-Me ether C17H20O5 304.131073 NA MeJP NA NA +MJ028176 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4,4'-Tri-Me ether C17H20O5 304.131073 NA MeJP NA NA +MJ028177 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4,5-Tri-Me ether C17H20O5 304.131073 NA MeJP NA NA +MJ028178 1-(3,5-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,3',5-Tri-Me ether C17H20O5 304.131073 NA MeJP NA NA +MJ028179 1-Hydroxy-2-oxo-3,7(11)-eudesmadien-12,8-olide, Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028180 15-Hydroxy-1-oxo-4,10(14),11(13)-germacratrien-12,8-olide, Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028181 15-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028182 15-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,6-olide; Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028183 17-Hydroxy-13,14,15,16-tetranor-7,9(11)-labdadiene-12,17:19,6-diolide, Me ether C17H20O5 304.131073 NA MeJP NA NA +MJ028184 2,3-Dihydroxy-1(10),7(11),8-eremophilatrien-12,8-olide, 2-Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028185 2,3-Dihydroxy-1(10),7(11),8-eremophilatrien-12,8-olide, 3-Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028186 2,3-Epoxy-1-hydroxy-4(15),11(13)-eudesmadien-12,8-olide, Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028187 3,4-Epoxy-2-hydroxy-1(10),11(13)-guaiadien-12,6-olide, Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028188 3,4-Epoxy-8-hydroxy-1(10),11(13)-guaiadien-12,6-olide, Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028189 3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 3-Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028190 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028191 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028192 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1-O-angeloyl, 4'-Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028193 3-[4-Hydroxy-3-(4-hydroxy-3-methyl-2-butenyl)phenyl]-2-propenoic acid, 4'-Ac, Me ester C17H20O5 304.131073 NA MeJP NA NA +MJ028194 4,8-Dihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide, 8-Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028195 4-Hydroxy-1-oxo-2,11(13)-eudesmadien-12,8-olide, Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028196 6-Hydroxy-1,11(13)-pseudoguaiadien-12,8-olide, Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028197 6-Hydroxy-2-oxo-1(10),3-guaiadien-12,8-olide, Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028198 6-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028199 6-Hydroxyfuranoeremophil-1(10)-en-9-one, 1?,10?-Epoxide, Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028200 8,13-Dihydroxy-1,1(10),4,7(11)-germacratetraen-12,6-olide, 8-Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028201 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028202 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028203 8-Hydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, Ac C17H20O5 304.131073 NA MeJP NA NA +MJ028204 Avicenol A C17H20O5 304.131073 NA MeJP NA NA +MJ028205 Cavoxinine C17H20O5 304.131073 NA MeJP NA NA +MJ028206 Cavoxinone C17H20O5 304.131073 NA MeJP NA NA +MJ028207 Murrangatin, O1'-Et C17H20O5 304.131073 NA MeJP NA NA +MJ028208 Oxaspirol A; 4-Ketone, stereoisomer(?) C17H20O5 304.131073 NA MeJP NA NA +MJ028209 Shizukanolide D C17H20O5 304.131073 NA MeJP NA NA +MJ028210 Spirotubipolide C17H20O5 304.131073 NA MeJP NA NA +C09293 Angustibalin C17H20O5 304.1311 NA KEGG NA NA +C09303 Arteglasin A C17H20O5 304.1311 NA KEGG NA NA +C09496 Linifolin A C17H20O5 304.1311 NA KEGG NA NA +MJ028211 Flupirtine C15H17FN4O2 304.133554 NA MeJP NA NA +MJ028212 Nopaline C11H20N4O6 304.138284 NA MeJP NA NA +MJ028213 D-Nopaline C11H20N4O6 304.138284 NA MeJP NA NA +MetaCyc02721 D-nopaline [N2-(D-1,3-dicarboxypropyl)-L-arginine;] C11H20N4O6 304.138284 NA metacyc NA NA +C01682 Nopaline C11H20N4O6 304.1383 NA KEGG NA NA +PJ000228 GTQ C11H20N4O6 304.1383 NA PeJP NA NA +MJ028214 Flubanilate C14H19F3N2O2 304.139862 NA MeJP NA NA +MJ028215 Diarbarone C16H20N2O4 304.142307 NA MeJP NA NA +MJ028216 Ecgonine, O-(3-Pyridinecarbonyl), Me ester C16H20N2O4 304.142307 NA MeJP NA NA +MJ028217 Tomaymycin C16H20N2O4 304.142307 NA MeJP NA NA +MJ028218 Enpiprazole C16H21ClN4 304.145474 NA MeJP NA NA +MJ028219 Mepiprazole C16H21ClN4 304.145474 NA MeJP NA NA +4013 LDC, beta-chain ISCDKF 304.15245 MH2+ Inhouse_peptide NA peptide +MJ028220 N-(Aminoiminomethyl)-3,4-dihydro-2,2-dimethyl-4-(1-methylethyl)-3-oxo-2H-1,4-benzoxazine-6-carboxamide C15H20N4O3 304.15354 NA MeJP NA NA +MJ028221 Balfourodinium C17H22NO4 304.154883 NA MeJP NA NA +C10648 Balfourodinium C17H22NO4 304.1549 NA KEGG NA NA +MJ028222 Suronacrine C20H20N2O 304.157563 NA MeJP NA NA +MJ028223 C-Xanthocurine C20H21N2O(+) 304.157563 NA MeJP NA NA +MJ028224 Fedamazine C20H21N2O(+) 304.157563 NA MeJP NA NA +MJ028225 Melinonine H C20H21N2O(+) 304.157563 NA MeJP NA NA +2707 erythromycin inhibitor MFKAL 304.1617 MH2+ Inhouse_peptide NA peptide +MJ028226 Discadenine C14H20N6O2 304.164773 NA MeJP NA NA +MetaCyc02722 discadenine [] C14H20N6O2 304.164774 62061-49-8 metacyc NA NA +C01804 Discadenine C14H20N6O2 304.1648 NA KEGG NA NA +MJ028227 2',4',6'-Trihydroxyacetophenone; 2'-O-(3,7-Dimethyl-2,6-octadienyl) C18H24O4 304.167459 NA MeJP NA NA +MJ028228 2',4',6'-Trihydroxyacetophenone; 4'-O-(3,7-Dimethyl-2,6-octadienyl) C18H24O4 304.167459 NA MeJP NA NA +MJ028229 2,4,6-Trihydroxy-3-prenylacetophenone; 2-O-(3-Methyl-2-butenyl) C18H24O4 304.167459 NA MeJP NA NA +MJ028230 2,4,6-Trihydroxy-3-prenylacetophenone; 4-O-(3-Methyl-2-butenyl) C18H24O4 304.167459 NA MeJP NA NA +MJ028231 2-Bornanol, O-(4-Hydroxy-3-methoxybenzoyl) C18H24O4 304.167459 NA MeJP NA NA +MJ028232 2-Bornanol, O-(3-Hydroxy-4-methoxybenzoyl) C18H24O4 304.167459 NA MeJP NA NA +MJ028233 3,12,13-Trihydroxy-8,11,13-podocarpatrien-7-one, 13-Me ether C18H24O4 304.167459 NA MeJP NA NA +MJ028234 3,4,20,21,22,23,24,25,26,27,28,29-Dodecanor-5,17-dioxo-2,3-secocycloartan-2-oic acid C18H24O4 304.167459 NA MeJP NA NA +MJ028235 4-Hydroxy-3,5-diprenylacetophenone; 4'',4'''-Dihydroxy C18H24O4 304.167459 NA MeJP NA NA +MJ028236 4-Hydroxy-3,5-diprenylacetophenone; 4'',5'''-Dihydroxy C18H24O4 304.167459 NA MeJP NA NA +MJ028237 4-Hydroxy-3,5-diprenylacetophenone; 5''-Hydroxy, 2'',3''-epoxide C18H24O4 304.167459 NA MeJP NA NA +MJ028238 5-Hydroxy-2-nonyl-4H-1-benzopyran-4-one; 7-Hydroxy C18H24O4 304.167459 NA MeJP NA NA +MJ028239 6-Hydroxyfuranoeremophilan-9-one, Propanoyl C18H24O4 304.167459 NA MeJP NA NA +MJ028240 9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Propanoyl C18H24O4 304.167459 NA MeJP NA NA +MJ028241 Botryslactone C18H24O4 304.167459 NA MeJP NA NA +MJ028242 Estra-1,3,5(10)-triene-3,15,16,17-tetrol C18H24O4 304.167459 NA MeJP NA NA +MJ028243 Filifolinol C18H24O4 304.167459 NA MeJP NA NA +MJ028244 Furanoeremophilane-1,6-diol, 1-Ketone, 6-propanoyl C18H24O4 304.167459 NA MeJP NA NA +MJ028245 Fusamarin C18H24O4 304.167459 NA MeJP NA NA +MJ028246 Graminin A C18H24O4 304.167459 NA MeJP NA NA +MJ028247 Hydroxyisopiloselloidone C18H24O4 304.167459 NA MeJP NA NA +MJ028248 Ialibinone E C18H24O4 304.167459 NA MeJP NA NA +MJ028249 Piloselloidone; 1''-Hydroxy C18H24O4 304.167459 NA MeJP NA NA +MJ028250 Primnatrienone; 6-Methoxy, 3-acetoxy C18H24O4 304.167459 NA MeJP NA NA +MJ028251 Solanapyrone B C18H24O4 304.167459 NA MeJP NA NA +MJ028252 Tanzawaic acid F C18H24O4 304.167459 NA MeJP NA NA +MJ028253 Tomentellin; ?3'(E-), ?7'-Isomer, 5'-deoxo, O3-de-Me C18H24O4 304.167459 NA MeJP NA NA +MJ028254 Trisporic acid C; Ketone C18H24O4 304.167459 NA MeJP NA NA +PJ000229 GTK C12H24N4O5 304.1747 NA PeJP NA NA +MJ028255 Carperidine C17H24N2O3 304.178692 NA MeJP NA NA +MJ028256 Etacepride C17H24N2O3 304.178692 NA MeJP NA NA +MJ028257 Tilisolol C17H24N2O3 304.178692 NA MeJP NA NA +HMDB06353 Dolichol phosphate C15H29O4P 304.180359 NA HMDB2010 NA NA +HMDB06353 Dolichol phosphate C15H29O4P 304.18036 http://www.hmdb.ca/metabolites/HMDB06353 HMDB NA NA +HMDB06353 Dolichol phosphate C15H29O4P 304.18036 HMDB06353 PFEM_hmdb_metabocards_official NA NA +MJ028258 19-Docosene-2,10,12,14,21-pentayn-1-ol C22H24O 304.182715 NA MeJP NA NA +MJ028259 19-Docosene-2,9,11,13,21-pentayn-1-ol C22H24O 304.182715 NA MeJP NA NA +C14886 16beta-Fluoroandrost-4-ene-3,17-dione C19H25FO2 304.1839 NA KEGG NA NA +C15169 16alpha-Fluoroandrost-4-ene-3,17-dione C19H25FO2 304.1839 NA KEGG NA NA +C13709 CPX C16H24N4O2 304.1899 NA KEGG NA NA +MJ028260 8-Cyclopentyl-3,7-dihydro-1,3-dipropyl-1H-purine-2,6-dione C16H24N4O2 304.189926 NA MeJP NA NA +MJ028261 Tracazolate C16H24N4O2 304.189926 NA MeJP NA NA +C13847 CP 339818 C21H24N2 304.1939 NA KEGG NA NA +MJ028262 Quinupramine C21H24N2 304.193948 NA MeJP NA NA +C05139 16alpha-Hydroxydehydroepiandrosterone C19H28O3 304.2038 NA KEGG NA NA +C05291 7alpha-Hydroxytestosterone C19H28O3 304.2038 NA KEGG NA NA +C05294 19-Hydroxytestosterone C19H28O3 304.2038 NA KEGG NA NA +C14497 6beta-Hydroxytestosterone C19H28O3 304.2038 NA KEGG NA NA +C14552 11-Ketoetiocholanolone C19H28O3 304.2038 NA KEGG NA NA +C14600 16alpha-Hydroxytestosterone C19H28O3 304.2038 NA KEGG NA NA +C14627 14alpha,17beta-Dihydroxyandrost-4-en-3-one C19H28O3 304.2038 NA KEGG NA NA +C14649 15alpha-Hydroxytestosterone C19H28O3 304.2038 NA KEGG NA NA +C14671 11-Ketoandrosterone C19H28O3 304.2038 NA KEGG NA NA +C14912 1,2,4,5-Tetrahydrotestolactone C19H28O3 304.2038 NA KEGG NA NA +C15144 16beta,17beta-Dihydroxy-16-methylestr-4-en-3-one C19H28O3 304.2038 NA KEGG NA NA +C15286 4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one C19H28O3 304.2038 NA KEGG NA NA +C15306 11alpha,17beta-Dihydroxyandrost-4-en-3-one C19H28O3 304.2038 NA KEGG NA NA +C15332 3beta-Hydroxy-5alpha-androstane-7,17-dione C19H28O3 304.2038 NA KEGG NA NA +C15416 17beta-Hydroxy-5alpha-androstan-3,6-dione C19H28O3 304.2038 NA KEGG NA NA +C18045 7alpha-Hydroxydehydroepiandrosterone C19H28O3 304.2038 NA KEGG NA NA +C18046 Biotinyl-[protein] C17H27N5O4SR2 304.2038 NA KEGG NA NA +C18047 Carboxybiotinyl-[protein] C18H26N5O6SR2 304.2038 NA KEGG NA NA +C18075 11beta,17beta-Dihydroxy-4-androsten-3-one C19H28O3 304.2038 NA KEGG NA NA +HMDB00309 3a,16b-Dihydroxyandrostenone C19H28O3 304.20383 http://www.hmdb.ca/metabolites/HMDB00309 HMDB NA NA +HMDB00322 16-Oxoandrostenediol C19H28O3 304.20383 http://www.hmdb.ca/metabolites/HMDB00322 HMDB NA NA +HMDB00352 16a-Hydroxydehydroisoandrosterone C19H28O3 304.20383 http://www.hmdb.ca/metabolites/HMDB00352 HMDB NA NA +HMDB00388 3a,16-Dihydroxyandrostenone C19H28O3 304.20383 http://www.hmdb.ca/metabolites/HMDB00388 HMDB NA NA +HMDB03956 7alpha-Hydroxytestosterone C19H28O3 304.20383 http://www.hmdb.ca/metabolites/HMDB03956 HMDB NA NA +HMDB04611 7a-Hydroxydehydroepiandrosterone C19H28O3 304.20383 http://www.hmdb.ca/metabolites/HMDB04611 HMDB NA NA +HMDB04624 7b-Hydroxydehydroepiandrosterone C19H28O3 304.20383 http://www.hmdb.ca/metabolites/HMDB04624 HMDB NA NA +HMDB06031 11-Ketoetiocholanolone C19H28O3 304.20383 http://www.hmdb.ca/metabolites/HMDB06031 HMDB NA NA +HMDB06259 6 beta hydroxy testosterone C19H28O3 304.20383 http://www.hmdb.ca/metabolites/HMDB06259 HMDB NA NA +HMDB06769 19-Hydroxytestosterone C19H28O3 304.20383 http://www.hmdb.ca/metabolites/HMDB06769 HMDB NA NA +HMDB00309 3a,16b-Dihydroxyandrostenone C19H28O3 304.20383 HMDB00309 PFEM_hmdb_metabocards_official NA NA +HMDB00322 16-Oxoandrostenediol C19H28O3 304.20383 HMDB00322 PFEM_hmdb_metabocards_official NA NA +HMDB00352 16a-Hydroxydehydroisoandrosterone C19H28O3 304.20383 HMDB00352 PFEM_hmdb_metabocards_official NA NA +HMDB00388 3a,16-Dihydroxyandrostenone C19H28O3 304.20383 HMDB00388 PFEM_hmdb_metabocards_official NA NA +HMDB03956 7alpha-Hydroxytestosterone C19H28O3 304.20383 HMDB03956 PFEM_hmdb_metabocards_official NA NA +HMDB04611 7a-Hydroxydehydroepiandrosterone C19H28O3 304.20383 HMDB04611 PFEM_hmdb_metabocards_official NA NA +HMDB04624 7b-Hydroxydehydroepiandrosterone C19H28O3 304.20383 HMDB04624 PFEM_hmdb_metabocards_official NA NA +HMDB06031 11-Ketoetiocholanolone C19H28O3 304.20383 HMDB06031 PFEM_hmdb_metabocards_official NA NA +HMDB06259 6 beta hydroxy testosterone C19H28O3 304.20383 HMDB06259 PFEM_hmdb_metabocards_official NA NA +HMDB06769 19-Hydroxytestosterone C19H28O3 304.20383 HMDB06769 PFEM_hmdb_metabocards_official NA NA +MJ028263 13,14-Epoxy-4-hydroxy-19-nor-7-abieten-6-one C19H28O3 304.203844 NA MeJP NA NA +MJ028264 13-Hydroxy-1-silphinen-3-one; 2-Methylpropanoyl C19H28O3 304.203844 NA MeJP NA NA +MJ028265 15,17-Dihydroxyandrost-4-en-3-one C19H28O3 304.203844 NA MeJP NA NA +MJ028266 15-Nor-14-oxo-8(17),12-labdadien-18-oic acid C19H28O3 304.203844 NA MeJP NA NA +MJ028267 15-Nor-14-oxo-8(17),12-labdadien-19-oic acid C19H28O3 304.203844 NA MeJP NA NA +MJ028268 15-Nor-16-oxo-13-isocopalen-19-oic acid C19H28O3 304.203844 NA MeJP NA NA +MJ028269 16,17-Dihydroxyandrost-4-en-3-one C19H28O3 304.203844 NA MeJP NA NA +MJ028270 17-Nor-16-oxo-19-kauranoic acid; ent-form C19H28O3 304.203844 NA MeJP NA NA +MJ028271 2-Heptyl-3,6-dihydroxy-5-prenylbenzaldehyde C19H28O3 304.203844 NA MeJP NA NA +MJ028272 3,16-Dihydroxyandrost-5-en-17-one C19H28O3 304.203844 NA MeJP NA NA +MJ028273 3,17-Dihydroxyandrost-5-en-16-one C19H28O3 304.203844 NA MeJP NA NA +MJ028274 3-Hydroxy-9,11-eremophiladien-8-one, O-(2-Methylpropanoyl) C19H28O3 304.203844 NA MeJP NA NA +MJ028275 3-Hydroxyandrostane-11,17-dione C19H28O3 304.203844 NA MeJP NA NA +MJ028276 4,17-Dihydroxy-19-nor-8(14),15-isopimaradien-7-one C19H28O3 304.203844 NA MeJP NA NA +MJ028277 4-Hydroxy-18-nor-8,11,13-abietatrien-7-one; 4-Epimer, 4-hydroperoxide, 7?-alcohol C19H28O3 304.203844 NA MeJP NA NA +MJ028278 8,14-Dihydroxy-19-nor-4(18),15-isopimaradien-7-one C19H28O3 304.203844 NA MeJP NA NA +MJ028279 8-Heptadecene-4,6-diyne-1,10-diol, 1-Ac C19H28O3 304.203844 NA MeJP NA NA +MJ028280 8-Heptadecene-4,6-diyne-3,10-diol, 10-Ac C19H28O3 304.203844 NA MeJP NA NA +MJ028281 9-Heptadecene-4,6-diyn-3-one, 9R,10S-Epoxide, 3-alcohol, Ac C19H28O3 304.203844 NA MeJP NA NA +MJ028282 Cannabiglendol C19H28O3 304.203844 NA MeJP NA NA +MJ028283 Coprophilin C19H28O3 304.203844 NA MeJP NA NA +MJ028284 Haploparviolide C19H28O3 304.203844 NA MeJP NA NA +MJ028285 Monacolin J; 1-Deoxy C19H28O3 304.203844 NA MeJP NA NA +MJ028286 Nordictyotalide C19H28O3 304.203844 NA MeJP NA NA +MJ028287 Sandresolide A C19H28O3 304.203844 NA MeJP NA NA +MJ028288 16alpha-Hydroxydehydroepiandrosterone C19H28O3 304.203844 NA MeJP NA NA +MJ028289 19-Hydroxytestosterone C19H28O3 304.203844 NA MeJP NA NA +MJ028290 7alpha-Hydroxytestosterone C19H28O3 304.203844 NA MeJP NA NA +MetaCyc02723 19-hydroxytestosterone [] C19H28O3 304.203845 NA metacyc NA NA +HMDB00309 3a,16b-Dihydroxyandrostenone C19H28O3 304.203857 NA HMDB2010 NA NA +HMDB00322 16-Oxoandrostenediol C19H28O3 304.203857 NA HMDB2010 NA NA +HMDB00324 3a,16a-Dihydroxyandrostenone C19H28O3 304.203857 NA HMDB2010 NA NA +HMDB00352 16a-Hydroxydehydroisoandrosterone C19H28O3 304.203857 NA HMDB2010 NA NA +HMDB00388 3a,16-Dihydroxyandrostenone C19H28O3 304.203857 NA HMDB2010 NA NA +HMDB03956 7a-Hydroxytestosterone C19H28O3 304.203857 NA HMDB2010 NA NA +HMDB04611 7a-Hydroxydehydroepiandrosterone C19H28O3 304.203857 NA HMDB2010 NA NA +HMDB04624 7b-Hydroxydehydroepiandrosterone C19H28O3 304.203857 NA HMDB2010 NA NA +HMDB06031 11-Ketoetiocholanolone C19H28O3 304.203857 NA HMDB2010 NA NA +HMDB06259 6beta-Hydroxytestosterone C19H28O3 304.203857 NA HMDB2010 NA NA +HMDB06769 19-Hydroxytestosterone C19H28O3 304.203857 NA HMDB2010 NA NA +HMDB00324 3a,16a-Dihydroxyandrostenone C19H28O3 304.20386 http://www.hmdb.ca/metabolites/HMDB00324 HMDB NA NA +HMDB00324 3a,16a-Dihydroxyandrostenone C19H28O3 304.20386 HMDB00324 PFEM_hmdb_metabocards_official NA NA +CJpos0726 Hydroxyoctanoylcarnitine [(M+H)]+ (13C) C1413CH30NO5 304.207375 C18rt(min)=6.6 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0726 Hydroxyoctanoylcarnitine [(M+H)]+ (13C) C1413CH30NO5 304.207375 C18rt(min)=6.6 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ028291 Gentamine C2 C13H28N4O4 304.211055 NA MeJP NA NA +MJ028292 Sannamycin E C13H28N4O4 304.211055 NA MeJP NA NA +C17984 Istamycin AP C13H28N4O4 304.2111 NA KEGG NA NA +MJ028293 Flabelline; 12-Hydroxy C18H28N2O2 304.215078 NA MeJP NA NA +MJ028294 Jaborandine C18H28N2O2 304.215078 NA MeJP NA NA +MJ028295 Serratinidine C18H28N2O2 304.215078 NA MeJP NA NA +MJ028296 Vadocaine C18H28N2O2 304.215078 NA MeJP NA NA +C13797 RU 5135 C18H28N2O2 304.2151 NA KEGG NA NA +MJ028297 Temarotene C23H28 304.2191 NA MeJP NA NA +MJ028298 9,10,16-Trihydroxyhexadecanoic acid C16H32O5 304.224974 NA MeJP NA NA +MJ028299 Piperamide C17H28N4O 304.226311 NA MeJP NA NA +MJ028300 Peimunine C19H30NO2 304.227654 NA MeJP NA NA +EUR123 Arachidonic Acid C20H32O2 304.2402 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR123 Arachidonic Acid C20H32O2 304.2402 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR123 Arachidonic Acid C20H32O2 304.2402 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR123 Arachidonic Acid C20H32O2 304.2402 Wishlist Inhousejuil11 NA NA +C00219 (5Z,8Z,11Z,14Z)-Icosatetraenoic acid C20H32O2 304.2402 NA KEGG NA NA +C09057 Acutilol A C20H32O2 304.2402 NA KEGG NA NA +C09124 2-Ketoepimanool C20H32O2 304.2402 NA KEGG NA NA +C11897 Taxa-4(20),11(12)-dien-5alpha,13alpha-diol C20H32O2 304.2402 NA KEGG NA NA +C14493 Methandriol C20H32O2 304.2402 NA KEGG NA NA +C14605 Metholone C20H32O2 304.2402 NA KEGG NA NA +C14956 3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one C20H32O2 304.2402 NA KEGG NA NA +C15176 17-Methyl-5alpha-androst-2-ene-1alpha,17beta-diol C20H32O2 304.2402 NA KEGG NA NA +C15252 17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one C20H32O2 304.2402 NA KEGG NA NA +C15367 3beta-Methoxyandrost-5-en-16beta-ol C20H32O2 304.2402 NA KEGG NA NA +C17920 Dihydroabietic acid C20H32O2 304.2402 NA KEGG NA NA +EUR123 Arachidonic Acid C20H32O2 304.24023 Wishlist PFEM_hmdb_metabocards_urine NA urine +HMDB01043 Arachidonic acid C20H32O2 304.24023 http://www.hmdb.ca/metabolites/HMDB01043 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR123 Arachidonic Acid C20H32O2 304.24023 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR123 Arachidonic Acid C20H32O2 304.24023 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR123 Arachidonic Acid C20H32O2 304.24023 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01043 Arachidonic acid C20H32O2 304.24023 http://www.hmdb.ca/metabolites/HMDB01043 HMDB NA NA +HMDB02177 8,11,14,17-Eicosatetraenoic acid C20H32O2 304.24023 http://www.hmdb.ca/metabolites/HMDB02177 HMDB NA NA +HMDB06036 Mesterolone C20H32O2 304.24023 http://www.hmdb.ca/metabolites/HMDB06036 HMDB NA NA +EUR123 Arachidonic Acid C20H32O2 304.24023 Wishlist HMDB NA NA +EUR123 Arachidonic Acid C20H32O2 304.24023 Wishlist Inhouse_PFEM NA NA +MJ028301 1(10),13-Halimadien-15-oic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028302 1(10),13-Halimadiene-2,15-diol, 2-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028303 1(10),15-Rosadiene-3,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028304 1(15),17-Dolastadiene-3,4-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028305 1(15),8-Dolastadiene-14,16-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028306 1(15),8-Dolastadiene-2,14-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028307 1(15),8-Dolastadiene-4,14-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028308 1(15),8-Trinervitadiene-2,3-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028309 1(9),6,13-Xenicatrien-18-oic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028310 1,14-Epoxy-2,7,11-cembratrien-4-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028311 1,3,6,11-Cembratetraene-8,14-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028312 1,3,7,10-Cembratetraene-12,14-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028313 1,3,7,11-Cembratetraen-14-ol, 11?,12?-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028314 1,3,7,11-Cembratetraen-14-ol, 7?,8?-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028315 1,3,7,11-Cembratetraen-15-ol, 11,12-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028316 1,3,7,11-Cembratetraen-15-ol, 7R,8S-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028317 1,3,7,11-Cembratetraene-13,14-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028318 1,3,7,11-Cembratetraene-14,20-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028319 1,3,7,11-Cembratetraene, 3S,4S:11S,12S-Diepoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028320 1,3,7,11-Cembratetraene, 7S,8S:11S,12S-Diepoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028321 1,3,7,12(20)-Cembratetraene-11,14-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028322 1,3,8(19),11-Cembratetraene-7,14-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028323 1,3,8,11-Cembratetraene-7,14-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028324 1,3-Dolastadiene-9,13-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028325 1,4,6,10,14-Phytapentaene-3,13-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028326 1,6,10,14-Phytatetraene-3,13-diol, 13-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028327 1-(4-Hydroxyphenyl)-5-tetradecanone C20H32O2 304.24023 NA MeJP NA NA +MJ028328 1-Hydroxy-12-kauranone C20H32O2 304.24023 NA MeJP NA NA +MJ028329 1-Hydroxy-2,6,10,14-phytatetraen-13-one C20H32O2 304.24023 NA MeJP NA NA +MJ028330 10,14-Epoxy-17-cneoruben-4-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028331 11,14-Eicosadien-8-ynoic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028332 11,16-Epoxy-17-kauranol C20H32O2 304.24023 NA MeJP NA NA +MJ028333 11,16-Epoxy-3-kauranol C20H32O2 304.24023 NA MeJP NA NA +MJ028334 11,16-Epoxy-7-kauranol C20H32O2 304.24023 NA MeJP NA NA +MJ028335 11,16-Epoxy-9,10-seco-8,10(20),13-labdatrien-15-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028336 11-Hydroxy-15-kauranone C20H32O2 304.24023 NA MeJP NA NA +MJ028337 11-Kaurene-16,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028338 11-Kaurene-7,16-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028339 12-Hydroxy-3,6-dolabelladien-9-one C20H32O2 304.24023 NA MeJP NA NA +MJ028340 12-Hydroxy-3,7-dolabelladien-2-one C20H32O2 304.24023 NA MeJP NA NA +MJ028341 12-Isocopalene-15,16-dial, 15-Alcohol C20H32O2 304.24023 NA MeJP NA NA +MJ028342 13(16),14-Clerodadien-19-oic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028343 13(16),14-Labdadiene-8,18-diol, 18-Aldehyde C20H32O2 304.24023 NA MeJP NA NA +MJ028344 13(16),14-Labdadiene-8,19-diol; 8?-form, 19-Aldehyde C20H32O2 304.24023 NA MeJP NA NA +MJ028345 13,16-Spatadiene-5,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028346 13,17-Spatadiene-5,16-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028347 13,18-Spatadiene-5,17-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028348 13-Atisene-16,17-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028349 13-Atisene-3,16-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028350 13-Hydroxy-5-neoverrucosanone; 13à OH-form C20H32O2 304.24023 NA MeJP NA NA +MJ028351 13-Hydroxy-8(14)-abieten-19-al; 13?-form C20H32O2 304.24023 NA MeJP NA NA +MJ028352 13-Hydroxy-8,14-labdadien-7-one C20H32O2 304.24023 NA MeJP NA NA +MJ028353 13-Verrucosene-2,9-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028354 13-Villanovene-2,19-diol; 3?-form C20H32O2 304.24023 NA MeJP NA NA +MJ028355 14,15-Epoxy-1(10),3-pachydictyadien-6-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028356 14,15-Epoxy-4,8(19)-xeniaphylladiene; 4?,5?-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028357 14,16-Epoxy-7-isopimaren-15-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028358 14,16-Epoxy-8-isopimaren-15-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028359 14,17-Epoxy-8,10,13(15)-lobatrien-18-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028360 14,18-Epoxy-8,10,13(15)-lobatrien-17-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028361 14-Phenyltetradecanoic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028362 15,16-Epoxy-13(16),14-halimadien-5-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028363 15-Beyeren-18-ol; ent-form, 15?,16?-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028364 15-Beyeren-19-ol; ent-form, 15?,16?-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028365 15-Beyerene-12,17-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028366 15-Beyerene-12,19-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028367 15-Beyerene-17,19-diol; ent-form C20H32O2 304.24023 NA MeJP NA NA +MJ028368 15-Beyerene-18,19-diol; ent-form C20H32O2 304.24023 NA MeJP NA NA +MJ028369 15-Beyerene-3,12-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028370 15-Beyerene-3,17-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028371 15-Beyerene-3,19-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028372 15-Beyerene-7,17-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028373 15-Isopimarene-7,8-diol, 7-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028374 15-Isopimarene-8,20-diol; 20-Aldehyde, internal hemiacetal C20H32O2 304.24023 NA MeJP NA NA +MJ028375 15-Kauren-17-ol; ent-form, 15?,16?-Epoxy C20H32O2 304.24023 NA MeJP NA NA +MJ028376 15-Kaurene-17,18-diol; ent-form C20H32O2 304.24023 NA MeJP NA NA +MJ028377 15-Kaurene-17,19-diol; ent-form C20H32O2 304.24023 NA MeJP NA NA +MJ028378 15-Kaurene-3,17-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028379 15-Kaurene-7,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028380 15-Nor-9,10-seco-5(10),8,11-labdatrien-14-oic acid; Me ester C20H32O2 304.24023 NA MeJP NA NA +MJ028381 16,19-Kauranediol, 19-Aldehyde C20H32O2 304.24023 NA MeJP NA NA +MJ028382 16-Hellicallenal; 14,15-Dihydro, 16-carboxylic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028383 16-Hydroxy-3-phyllocladanone; 16?-form C20H32O2 304.24023 NA MeJP NA NA +MJ028384 16-Kauren-18-ol; ent-form, 16?,17-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028385 16-Kauren-19-ol; ent-form, 16?,17-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028386 16-Kaurene-1,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028387 16-Kaurene-11,15-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028388 16-Kaurene-11,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028389 16-Kaurene-13,19-diol; ent-form C20H32O2 304.24023 NA MeJP NA NA +MJ028390 16-Kaurene-15,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028391 16-Kaurene-2,15-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028392 16-Kaurene-3,13-diol; 3?-form C20H32O2 304.24023 NA MeJP NA NA +MJ028393 16-Kaurene-3,15-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028394 16-Kaurene-3,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028395 16-Kaurene-3,19-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028396 16-Kaurene-6,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028397 16-Kaurene-7,15-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028398 16-Kaurene-7,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028399 16-Kaurene-9,11-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028400 16-Spongianone C20H32O2 304.24023 NA MeJP NA NA +MJ028401 17,18-Epoxy-8,10,13(15)-lobatrien-14-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028402 17,18-Epoxy-8,10,13(15)-lobatrien-16-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028403 17,19-Kauranediol, 17-Aldehyde C20H32O2 304.24023 NA MeJP NA NA +MJ028404 17,19-Kauranediol, 19-Aldehyde C20H32O2 304.24023 NA MeJP NA NA +MJ028405 17-Hydroxy-17-methylandrostan-3-one C20H32O2 304.24023 NA MeJP NA NA +MJ028406 17-Hydroxy-3-kauranone C20H32O2 304.24023 NA MeJP NA NA +MJ028407 17-Kauranal, 17-Carboxylic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028408 17-Methylandrost-5-ene-3,17-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028409 18,19-Epoxy-1(9),6,13-xenicatrien-18-ol; 18?-form C20H32O2 304.24023 NA MeJP NA NA +MJ028410 18-Hydroxy-13(15),16-sphenolobadien-4-one C20H32O2 304.24023 NA MeJP NA NA +MJ028411 18-Hydroxy-15-kauranone C20H32O2 304.24023 NA MeJP NA NA +MJ028412 18-Hydroxy-7,8-seco-6,12,14-labdatrien-8-one C20H32O2 304.24023 NA MeJP NA NA +MJ028413 18-Methyl-5,8,11,14-nonadecatetraenoic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028414 19-Kauranoic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028415 2,12-Cyathadiene-1,8-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028416 2,16-Epoxy-16-verrucosanol C20H32O2 304.24023 NA MeJP NA NA +MJ028417 2,17-Sphenolobadiene-4,13-diol; 4-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028418 2,4(18),13-Clerodatriene-15,16-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028419 2,4(18)-Clerodadien-15-oic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028420 2,6,10,14-Phytatetraen-1-ol, Aldehyde, 4S-hydroxy C20H32O2 304.24023 NA MeJP NA NA +MJ028421 2,6,10,14-Phytatetraen-1-ol, Aldehyde,14?,15?-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028422 2,6,10-Farnesatrien-1-ol, Angeloyl C20H32O2 304.24023 NA MeJP NA NA +MJ028423 2,7,11-Cembratriene-4,10-diol, 10-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028424 2,8(19),14-Xeniaphyllatriene-5,13-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028425 2,9-Verrucosanediol, 9-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028426 2-(13-Hexadecen-15-ynyl)cyclopropanecarboxylic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028427 2-Hydroxy-5-fusicoccen-4-one; 2?-form C20H32O2 304.24023 NA MeJP NA NA +MJ028428 2-Isocomen-14-ol; 3-Methylbutanoyl C20H32O2 304.24023 NA MeJP NA NA +MJ028429 2-Methyl-5-(8-tridecenyl)-1,3-benzenediol C20H32O2 304.24023 NA MeJP NA NA +MJ028430 3,13-Clerodadien-15-ol, 15-Carboxylic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028431 3,13-Clerodadiene-15,17-diol, 15,17-Dialdehyde C20H32O2 304.24023 NA MeJP NA NA +MJ028432 3,13-Clerodadiene-15,17-diol, 15-Aldehyde C20H32O2 304.24023 NA MeJP NA NA +MJ028433 3,14-Clerodadiene-2,13-diol, 2-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028434 3,14-Epoxy-1,7,11-cembratrien-4-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028435 3,16-Kauranediol, 3-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028436 3,4-Epoxy-13(15),16-sphenolobadien-18-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028437 3,4-Epoxy-7,11,15(17)-cembratrien-16-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028438 3,4-Seco-2-verrucosene-5,6-diol, 5-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028439 3,4:11,12-Diepoxy-7,15-cembradiene C20H32O2 304.24023 NA MeJP NA NA +MJ028440 3,5,10-Bisabolatrien-12-ol; 2-Methylbutanoyl C20H32O2 304.24023 NA MeJP NA NA +MJ028441 3,5,10-Bisabolatrien-12-ol; 3-Methylbutanoyl C20H32O2 304.24023 NA MeJP NA NA +MJ028442 3,7,11,15(17)-Cembratetraene-2,16-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028443 3,7,11,15-Cembratetraen-13-ol, 7S,8S-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028444 3,7,11,15-Cembratetraen-13-ol, 11S,12S-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028445 3,7,11,15-Cembratetraen-14-ol, 3?,4?-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028446 3,7,11,15-Cembratetraene, 3R,4R:15?,16-Diepoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028447 3,7,12(18)-Dolabellatriene, 3?,4?:7?,8?-Diepoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028448 3,7,12-Dolabellatrien-6-ol; 3?,4?-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028449 3,7,18-Dolabellatrien-14-one, 14?-Alcohol, 3?,4?-epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028450 3,7-Dolabelladiene-9,12-diol, 9-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028451 3,8-Epoxy-1(15)-trinerviten-2-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028452 3-Cleroden-15,16-olide C20H32O2 304.24023 NA MeJP NA NA +MJ028453 3-Cleroden-15-oic acid, 1,2-Didehydro C20H32O2 304.24023 NA MeJP NA NA +MJ028454 3-Hydroxy-1,4,6,10,14-phytapentaen-13-one, 14,15-Dihydro C20H32O2 304.24023 NA MeJP NA NA +MJ028455 3-Hydroxy-1,6,10,14-phytatetraen-12-one C20H32O2 304.24023 NA MeJP NA NA +MJ028456 3-Hydroxy-5(10),13-halimadien-15-al C20H32O2 304.24023 NA MeJP NA NA +MJ028457 3-Prenyleudesmene-2,13-dione C20H32O2 304.24023 NA MeJP NA NA +MJ028458 3-Sphenolobene-5,16-dione C20H32O2 304.24023 NA MeJP NA NA +MJ028459 4(15)-Eudesmen-6-ol, Angeloyl C20H32O2 304.24023 NA MeJP NA NA +MJ028460 4(15)-Eudesmen-6-ol, Tigloyl C20H32O2 304.24023 NA MeJP NA NA +MJ028461 4(16),7,11-Dolabellatriene-10,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028462 4(18),13-Clerodadien-15-ol, 15-Carboxylic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028463 4(18),8(19),14-Xeniaphyllatriene-5,13-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028464 4,7,10,13-Eicosatetraenoic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028465 4,8(17),12(18)-Dolabellatriene-3,7-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028466 4,8(19),13-Xeniaphyllatrien-15-ol; 4,5-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028467 4,8(19),14-Xeniaphyllatrien-13-ol; 4,5-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028468 4,8,18-Dolabellatriene-3,16-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028469 4-Hydroxy-2,7,12-cembratrien-10-one C20H32O2 304.24023 NA MeJP NA NA +MJ028470 4-Hydroxy-2,8,11-cembratrien-10-one C20H32O2 304.24023 NA MeJP NA NA +MJ028471 5(10),13-Halimadien-15-oic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028472 5,11,14,17-Eicosatetraenoic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028473 5,15-Rosadiene-3,19-diol; 3?-form C20H32O2 304.24023 NA MeJP NA NA +MJ028474 5,20-Epoxy-15-rosen-20-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028475 5,8,11,14-Eicosatetraenoic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028476 6,10-Epoxy-1(14),4(16)-neodolabelladien-8-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028477 6,13-Epoxy-4(18),8-eunicelladien-12-ol, ?3-Isomer C20H32O2 304.24023 NA MeJP NA NA +MJ028478 6,8(17)-Labdadien-15-oic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028479 6-Hydroxy-11,12-seco-3,7,11-dolabellatrien-12-one C20H32O2 304.24023 NA MeJP NA NA +MJ028480 7,13-Clerodadien-15-oic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028481 7,13-Labdadien-15-oic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028482 7,13-Labdadiene-2,15-diol, 2-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028483 7,13-Labdadiene-3,15-diol, 3-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028484 7,13-Labdadiene-6,15-diol, 6-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028485 7,14-Labdadiene-3,13-diol, 3-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028486 7,14-Labdadiene-6,13-diol, 6-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028487 7,15-Isopimaradiene-14,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028488 7,15-Isopimaradiene-18,19-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028489 7,15-Isopimaradiene-3,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028490 7,15-Pimaradiene-2,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028491 7,15-Pimaradiene-3,19-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028492 7,18-Trachylobanediol C20H32O2 304.24023 NA MeJP NA NA +MJ028493 7-Dolabellene-2,13-dione C20H32O2 304.24023 NA MeJP NA NA +MJ028494 7-Hydroxy-1,6-cyclo-2,10,14-phytatrien-4-one C20H32O2 304.24023 NA MeJP NA NA +MJ028495 8(12),17-Sacculatadien-11-ol; Carboxylic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028496 8(14),15-Isopimaradiene-1,11-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028497 8(14),15-Isopimaradiene-1,2-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028498 8(14),15-Isopimaradiene-1,5-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028499 8(14),15-Isopimaradiene-1,7-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028500 8(14),15-Isopimaradiene-1,9-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028501 8(14),15-Isopimaradiene-12,18-diol; 12?-form C20H32O2 304.24023 NA MeJP NA NA +MJ028502 8(14),15-Isopimaradiene-2,18-diol; 2?-form C20H32O2 304.24023 NA MeJP NA NA +MJ028503 8(14),15-Isopimaradiene-3,12-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028504 8(14),15-Isopimaradiene-3,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028505 8(14),15-Isopimaradiene-3,19-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028506 8(14),15-Isopimaradiene-3,9-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028507 8(14),15-Isopimaradiene-7,18-diol; 7?-form C20H32O2 304.24023 NA MeJP NA NA +MJ028508 8(14),15-Pimaradiene-3,11-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028509 8(14),15-Pimaradiene-3,12-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028510 8(14),15-Pimaradiene-3,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028511 8(14),15-Pimaradiene-3,19-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028512 8(14)-Abietene-3,13-diol, 3-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028513 8(17),12,14-Labdatriene-18,19-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028514 8(17),12,14-Labdatriene-2,3-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028515 8(17),12,14-Labdatriene-3,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028516 8(17),12,14-Labdatriene-3,19-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028517 8(17),12-Labdadien-15-oic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028518 8(17),12-Labdadiene-15,16-diol, 16-Aldehyde C20H32O2 304.24023 NA MeJP NA NA +MJ028519 8(17),13-Labdadien-15-ol, 15-Carboxylic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028520 8(17),13-Labdadiene-15,19-diol, 15-Aldehyde C20H32O2 304.24023 NA MeJP NA NA +MJ028521 8(17),13-Labdadiene-15,19-diol, 19-Aldehyde C20H32O2 304.24023 NA MeJP NA NA +MJ028522 8(17),13-Labdadiene-15,19-diol, 15-Aldehyde C20H32O2 304.24023 NA MeJP NA NA +MJ028523 8(17),13-Labdadiene-2,15-diol, 2-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028524 8(17),13-Labdadiene-2,15-diol, 15-Aldehyde C20H32O2 304.24023 NA MeJP NA NA +MJ028525 8(17),13-Labdadiene-3,15-diol, 3-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028526 8(17),14-Labdadiene-13,19-diol, 19-Aldehyde C20H32O2 304.24023 NA MeJP NA NA +MJ028527 8(17),14-Labdadiene-2,13-diol, 2-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028528 8(17),14-Labdadiene-3,13-diol, 3-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028529 8(17)-Labdene-15,19-diol, Dialdehyde C20H32O2 304.24023 NA MeJP NA NA +MJ028530 8,10,13(15),16-Lobatetraen-18-ol; 13?,15?-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028531 8,10,13(15),18-Lobatetraene-16,17-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028532 8,11,14,17-Eicosatetraenoic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028533 8,11-Epoxy-2,6,12-cembratrien-4-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028534 8,13-Epoxy-14-labden-11-ol, 11-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028535 8,13-Epoxy-14-labden-12-ol, 12-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028536 8,13-Epoxy-14-labden-2-ol, 2-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028537 8,13-Epoxy-14-labden-3-ol, 3-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028538 8,13-Labdadiene-15,19-diol, 19-Aldehyde C20H32O2 304.24023 NA MeJP NA NA +MJ028539 8,13-Labdadiene-7,15-diol, 7-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028540 8,14-Labdadiene-13,19-diol, 19-Aldehyde C20H32O2 304.24023 NA MeJP NA NA +MJ028541 8,15-Isopimaradiene-3,19-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028542 8,15-Isopimaradiene-7,18-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028543 8-Hydroxy-15-isopimaren-3-one C20H32O2 304.24023 NA MeJP NA NA +MJ028544 9(11),15-Isopimaradiene-3,19-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028545 9(11),15-Pimaradiene-3,19-diol C20H32O2 304.24023 NA MeJP NA NA +MJ028546 9,13-Epoxy-7,14-labdadien-6-ol C20H32O2 304.24023 NA MeJP NA NA +MJ028547 Acaciahemiacetal A C20H32O2 304.24023 NA MeJP NA NA +MJ028548 Ambliol A C20H32O2 304.24023 NA MeJP NA NA +MJ028549 Anisotomenoic acid C20H32O2 304.24023 NA MeJP NA NA +MJ028550 Asperketal A C20H32O2 304.24023 NA MeJP NA NA +MJ028551 Asperketal D C20H32O2 304.24023 NA MeJP NA NA +MJ028552 Asperketal F C20H32O2 304.24023 NA MeJP NA NA +MJ028553 Bissaone C20H32O2 304.24023 NA MeJP NA NA +MJ028554 Calyculones C20H32O2 304.24023 NA MeJP NA NA +MJ028555 Dictyol B C20H32O2 304.24023 NA MeJP NA NA +MJ028556 Dictyol D C20H32O2 304.24023 NA MeJP NA NA +MJ028557 Dictyol E C20H32O2 304.24023 NA MeJP NA NA +MJ028558 Dictyol F C20H32O2 304.24023 NA MeJP NA NA +MJ028559 Dictyone C20H32O2 304.24023 NA MeJP NA NA +MJ028560 Dictyotadiol C20H32O2 304.24023 NA MeJP NA NA +MJ028561 Dictyoxepin C20H32O2 304.24023 NA MeJP NA NA +MJ028562 Dictyoxide ; 2?-Hydroxy C20H32O2 304.24023 NA MeJP NA NA +MJ028563 Drostanolone C20H32O2 304.24023 NA MeJP NA NA +MJ028564 Fregenedadiol C20H32O2 304.24023 NA MeJP NA NA +MJ028565 Fusicoauritone C20H32O2 304.24023 NA MeJP NA NA +MJ028566 Fusicogigantepoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028567 Fusicogigantone A C20H32O2 304.24023 NA MeJP NA NA +MJ028568 Fusicogigantone B C20H32O2 304.24023 NA MeJP NA NA +MJ028569 Hatcherenone C20H32O2 304.24023 NA MeJP NA NA +MJ028570 Isofregendadiol C20H32O2 304.24023 NA MeJP NA NA +MJ028571 Mesterolone C20H32O2 304.24023 NA MeJP NA NA +MJ028572 Mucosin C20H32O2 304.24023 NA MeJP NA NA +MJ028573 Pachydictyol A; 10?,19-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028574 Pachydictyol A; 14R,15-Epoxide C20H32O2 304.24023 NA MeJP NA NA +MJ028575 Pachydictyol A; 8?-Hydroxy C20H32O2 304.24023 NA MeJP NA NA +MJ028576 Parryin C20H32O2 304.24023 NA MeJP NA NA +MJ028577 Premnenol C20H32O2 304.24023 NA MeJP NA NA +MJ028578 Sacculaporellin C20H32O2 304.24023 NA MeJP NA NA +MJ028579 Stemodin; 2-Ketone C20H32O2 304.24023 NA MeJP NA NA +MJ028580 Velloziolone C20H32O2 304.24023 NA MeJP NA NA +MJ028581 Vibsanin F C20H32O2 304.24023 NA MeJP NA NA +MJ028582 Xeniolone C20H32O2 304.24023 NA MeJP NA NA +MJ028583 Arachidonate C20H32O2 304.24023 NA MeJP NA NA +MetaCyc02724 taxa-4(20),11-dien-5α,13α-diol [] C20H32O2 304.24023 NA metacyc NA NA +MetaCyc02725 arachidonate [5,8,11,14-icosatetraenoate;arachidonic acid;arachidonate;] C20H32O2 304.24023 506-32-1 metacyc NA NA +HMDB01043 Arachidonic acid C20H32O2 304.24023 http://www.hmdb.ca/metabolites/HMDB01043 PFEM_hmdb_metabocards_blood NA blood +EUR123 Arachidonic Acid C20H32O2 304.24023 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR123 Arachidonic Acid C20H32O2 304.24023 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB01043 Arachidonic acid C20H32O2 304.24023 HMDB01043 PFEM_hmdb_metabocards_official NA NA +HMDB02177 8,11,14,17-Eicosatetraenoic acid C20H32O2 304.24023 HMDB02177 PFEM_hmdb_metabocards_official NA NA +HMDB06036 Mesterolone C20H32O2 304.24023 HMDB06036 PFEM_hmdb_metabocards_official NA NA +HMDB01043 Arachidonic acid C20H32O2 304.240234 NA HMDB2010 NA NA +HMDB02177 8,11,14,17-Eicosatetraenoic acid C20H32O2 304.240234 NA HMDB2010 NA NA +HMDB06036 Mesterolone C20H32O2 304.240234 NA HMDB2010 NA NA +EUR506 Arachidonique Acid C20H32O2 304.242125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR506 Acide Arachidonique F1 NA 304.242125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR506 Arachidonique Acid C20H32O2 304.242125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR506 Acide Arachidonique F1 NA 304.242125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR506 Arachidonique Acid C20H32O2 304.242125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR506 Acide Arachidonique F1 NA 304.242125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR506 Arachidonique Acid C20H32O2 304.242125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR506 Arachidonique Acid C20H32O2 304.242125 standards wishlist analysés sur QTOF HMDB NA NA +EUR506 Arachidonique Acid C20H32O2 304.242125 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR506 Acide Arachidonique F1 NA 304.242125 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR506 Arachidonique Acid C20H32O2 304.242125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR506 Arachidonique Acid C20H32O2 304.242125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ028584 Ikimine A C19H32N2O 304.251463 NA MeJP NA NA +MJ028585 Ikimine B C19H32N2O 304.251463 NA MeJP NA NA +C00892 Pregnan-21-ol C21H36O 304.2766 NA KEGG NA NA +C00893 Primary monoamine NH2R 304.2766 NA KEGG NA NA +MJ028586 2-(2,5-Octadienyl)-3-undecyloxirane, 7',8'-Didehydro C21H36O 304.276615 NA MeJP NA NA +MJ028587 2-Methyl-2,6,9-eicosatrienal C21H36O 304.276615 NA MeJP NA NA +MJ028588 3-Pentadecylphenol C21H36O 304.276615 NA MeJP NA NA +MJ028589 Dictyotin B; Me ether C21H36O 304.276615 NA MeJP NA NA +MetaCyc02726 pregnan-21-ol [2-[(10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanol;] C21H36O1 304.276616 NA metacyc NA NA +MJ028590 15-Docosen-1-yne C22H40 304.313001 NA MeJP NA NA +MJ028591 3,6,9-Docosatriene C22H40 304.313001 NA MeJP NA NA +MJ028592 5-Chloro-8-hydroxy-7-iodoquinoline C9H5ClINO 304.910434 NA MeJP NA NA +MJ028593 (2-Iodobenzoyl)aminoacetic acid C9H8INO3 304.954886 NA MeJP NA NA +MJ028594 4-Aminobenzenestibonic acid; N-Ac C8H10NO4Sb 304.9648 NA MeJP NA NA +MJ028595 Aplysinopsin; 6-Bromo, 3'-deimino, 3'-oxo, N2',N4'-di-de-Me C12H8BrN3O2 304.979989 NA MeJP NA NA +C10971 Isoimide C14H12BrNO2 305.0051 NA KEGG NA NA +C10972 Imide C14H12BrNO2 305.0051 NA KEGG NA NA +MJ028596 Deoxyrubroflavin; 3S,5,5-S-Trioxide C9H11N3O5S2 305.014011 NA MeJP NA NA +C15297 2,4-Dinitro-1-(3-nitrophenoxy)benzene C12H7N3O7 305.0284 NA KEGG NA NA +MJ028597 2',3'-Cyclic CMP C9H12N3O7P 305.041286 NA MeJP NA NA +MetaCyc02727 3',5'-cyclic CMP [cyclic-CMP;cCMP;cytidine cyclic-monophosphate;cytidine 3',5'-cyclic monophosphate;] C9H12N3O7P1 305.041286 08/08/3616 metacyc NA NA +MetaCyc02728 cytidine 2',3'-cyclic monophosphate [] C9H12N3O7P1 305.041286 NA metacyc NA NA +HMDB11691 Cytidine 2',3'-cyclic phosphate C9H12N3O7P 305.04129 NA HMDB2010 NA NA +C00941 3',5'-Cyclic CMP C9H12N3O7P 305.0413 NA KEGG NA NA +C02354 2',3'-Cyclic CMP C9H12N3O7P 305.0413 NA KEGG NA NA +MJ028598 Sulfoniazide C13H11N3O4S 305.047026 NA MeJP NA NA +MetaCyc02729 4-(β-D-ribofuranosyl)aminobenzene-5'-phosphate [β-RFAP;] C11H16N1O7P1 305.066438 NA metacyc NA NA +C09347 Atherospermidine C18H11NO4 305.0688 NA KEGG NA NA +MJ028599 Atherospermidine C18H11NO4 305.068807 NA MeJP NA NA +MJ028600 Bianfugedine C18H11NO4 305.068807 NA MeJP NA NA +MJ028601 Cepharadione A C18H11NO4 305.068807 NA MeJP NA NA +MJ028602 Hernanymphine C18H11NO4 305.068807 NA MeJP NA NA +MJ028603 Lanuginosine C18H11NO4 305.068807 NA MeJP NA NA +MJ028604 Oxolaureline C18H11NO4 305.068807 NA MeJP NA NA +MJ028605 Oxoputerine C18H11NO4 305.068807 NA MeJP NA NA +MJ028606 Oxostephanine C18H11NO4 305.068807 NA MeJP NA NA +MJ028607 Phenanthroviridin; Aglycone C18H11NO4 305.068807 NA MeJP NA NA +MJ028608 Climiqualine C18H12ClN3 305.071975 NA MeJP NA NA +HMDB05010 Sertraline C17H17Cl2N 305.07379 http://www.hmdb.ca/metabolites/HMDB05010 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05010 Sertraline C17H17Cl2N 305.07379 http://www.hmdb.ca/metabolites/HMDB05010 HMDB NA NA +HMDB05010 Sertraline C17H17Cl2N 305.07379 http://www.hmdb.ca/metabolites/HMDB05010 PFEM_hmdb_metabocards_blood NA blood +HMDB05010 Sertraline C17H17Cl2N 305.07379 HMDB05010 PFEM_hmdb_metabocards_official NA NA +HMDB05010 Sertraline C17H17Cl2N 305.073792 NA HMDB2010 NA NA +C07246 Sertraline C17H17Cl2N 305.0738 NA KEGG NA NA +MJ028609 Sertraline C17H17Cl2N 305.073804 NA MeJP NA NA +MJ028610 Bromantan C16H20BrN 305.077912 NA MeJP NA NA +EUR334 8-hydroxydeoxyguanosine F3 F3 305.078175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR334 8-hydroxydeoxyguanosine F3 NA 305.078175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR334 8-hydroxydeoxyguanosine F3 F3 305.078175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR334 8-hydroxydeoxyguanosine F3 NA 305.078175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR334 8-hydroxydeoxyguanosine F3 F3 305.078175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR334 8-hydroxydeoxyguanosine F3 NA 305.078175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR334 8-hydroxydeoxyguanosine F3 F3 305.078175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR334 8-hydroxydeoxyguanosine F3 F3 305.078175 standards wishlist analysés sur QTOF HMDB NA NA +EUR334 8-hydroxydeoxyguanosine F3 F3 305.078175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR334 8-hydroxydeoxyguanosine F3 NA 305.078175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR334 8-hydroxydeoxyguanosine F3 F3 305.078175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR334 8-hydroxydeoxyguanosine F3 F3 305.078175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C13752 Phenylamil C12H12ClN7O 305.0792 NA KEGG NA NA +MJ028611 Clofeverine C16H16ClNO3 305.081871 NA MeJP NA NA +MJ028612 Fenoldopam C16H16ClNO3 305.081871 NA MeJP NA NA +MJ028613 Nicofibrate C16H16ClNO3 305.081871 NA MeJP NA NA +C07693 Fenoldopam C16H16ClNO3 305.0819 NA KEGG NA NA +C07694 Transferred to D00613 C16H16ClNO3 305.0819 NA KEGG NA NA +CJneg0510 Asp-Leu / Asp-Ile [(M-H)+(NaCl)]- (13C) C913CH17ClN2NaO5 305.084125 C18rt(min)=4.95 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0510 Asp-Leu / Asp-Ile [(M-H)+(NaCl)]- (13C) C913CH17ClN2NaO5 305.084125 C18rt(min)=4.95 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +C08430 Convicine C10H15N3O8 305.0859 NA KEGG NA NA +PJ000230 GDD C10H15N3O8 305.0859 NA PeJP NA NA +MJ028614 Ascorbigen C15H15NO6 305.089937 NA MeJP NA NA +MJ028615 Renierol; 1,2-Dihydro, O-Ac, N-formyl C15H15NO6 305.089937 NA MeJP NA NA +MJ028616 Pirimiphos-methyl C11H20N3O3PS 305.096298 NA MeJP NA NA +MJ028617 Pyrimitate C11H20N3O3PS 305.096298 NA MeJP NA NA +HMDB12226 Entacapone C14H15N3O5 305.101166 NA HMDB2010 NA NA +MJ028618 Entacapone C14H15N3O5 305.10117 NA MeJP NA NA +MJ028619 Pyriculamide C14H15N3O5 305.10117 NA MeJP NA NA +C07943 Entacapone C14H15N3O5 305.1012 NA KEGG NA NA +C07945 Transferred to D00782 C14H15N3O5 305.1012 NA KEGG NA NA +C07946 Botulinum toxin type A C14H15N3O5 305.1012 NA KEGG NA NA +C07947 Transferred to D00784 C14H15N3O5 305.1012 NA KEGG NA NA +C07948 Transferred to D00785 C14H15N3O5 305.1012 NA KEGG NA NA +PJ000231 SPC C11H19N3O5S 305.1046 NA PeJP NA NA +MJ028620 4-Methoxy-2-(3,4-methylenedioxystyryl)quinoline C19H15NO3 305.105193 NA MeJP NA NA +MJ028621 Anonaine, 6a,7-Didehydro, N-Ac C19H15NO3 305.105193 NA MeJP NA NA +MJ028622 Duguenaine C19H15NO3 305.105193 NA MeJP NA NA +MJ028623 Trichoguattine C19H15NO3 305.105193 NA MeJP NA NA +MetaCyc02730 entacapone [comtan;2-cyano-N,N-diethyl-3-(3,4-dihydroxy-5-nitrophenyl)propenamide;] C15H17N2O5 305.113747 NA metacyc NA NA +MJ028624 3,4-Dihydro-3-(1H-indol-3-yl)methyl-1H-1,4-benzodiazepine-2,5-dione C18H15N3O2 305.116426 NA MeJP NA NA +MJ028625 Naucledine C18H15N3O2 305.116426 NA MeJP NA NA +MJ028626 Dribendazole C15H19N3O2S 305.119797 NA MeJP NA NA +MJ028627 Nitropeptin C11H19N3O7 305.122299 NA MeJP NA NA +PJ000232 GTE C11H19N3O7 305.1223 NA PeJP NA NA +MJ028628 1,5-Dihydro-1-[1-oxo-3-(3,4,5-trimethoxyphenyl)propyl]-2H-pyrrol-2-one C16H19NO5 305.126322 NA MeJP NA NA +MJ028629 Crinamabine C16H19NO5 305.126322 NA MeJP NA NA +MJ028630 Duricaulic acid C16H19NO5 305.126322 NA MeJP NA NA +MJ028631 Macranthine C16H19NO5 305.126322 NA MeJP NA NA +MJ028632 Peepuloidine C16H19NO5 305.126322 NA MeJP NA NA +MJ028633 Peyonine C16H19NO5 305.126322 NA MeJP NA NA +MJ028634 Piplartine; 3'-Demethoxy, 3,4-epoxide, 8,9-dihydro C16H19NO5 305.126322 NA MeJP NA NA +MJ028635 Rohitukine C16H19NO5 305.126322 NA MeJP NA NA +MJ028636 Sickenbergine C16H19NO5 305.126322 NA MeJP NA NA +MJ028637 Zanthodioline C16H19NO5 305.126322 NA MeJP NA NA +MJ028638 Zaleplon C17H15N5O 305.12766 NA MeJP NA NA +C07484 Zaleplon C17H15N5O 305.1277 NA KEGG NA NA +CJpos0727 Indoleacetyl glutamine [(M+H)]+ (13C2) C1313C2H18N3O4 305.128075 C18rt(min)=6.05 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0727 Indoleacetyl glutamine [(M+H)]+ (13C2) C1313C2H18N3O4 305.128075 C18rt(min)=6.05 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +3098 fragment of bovine beta casein (91-93) GVM 305.1294 celiac toxic Inhouse_peptide NA peptide +MJ028639 Abunidazole C15H19N3O4 305.137556 NA MeJP NA NA +MJ028640 Echinoramine I C15H19N3O4 305.137556 NA MeJP NA NA +MJ028641 Tropabazate C15H19N3O4 305.137556 NA MeJP NA NA +PJ000233 TW C15H19N3O4 305.1376 NA PeJP NA NA +7846 NA YPFW~ 305.139 MH2+ Inhouse_peptide NA peptide +MJ028642 Spirazine C15H20ClN5 305.140723 NA MeJP NA NA +PJ000234 GVM C12H23N3O4S 305.1409 NA PeJP NA NA +MJ028643 Benzosimuline C20H19NO2 305.141578 NA MeJP NA NA +PJ000235 MR C11H23N5O3S 305.1522 NA PeJP NA NA +MJ028644 2-[[[2-(1H-Imidazol-4-yl)-1-methylethyl]imino]phenylmethyl]phenol C19H19N3O 305.152812 NA MeJP NA NA +MJ028645 Goshuyuamide I C19H19N3O 305.152812 NA MeJP NA NA +MJ028646 Nauclechine; Natural-form, Decarbomethoxy C19H19N3O 305.152812 NA MeJP NA NA +MJ028647 Naucleonidine, Decarbomethoxy C19H19N3O 305.152812 NA MeJP NA NA +MJ028648 Vasicoline; 9-Oxo C19H19N3O 305.152812 NA MeJP NA NA +C10912 Buprofezin C16H23N3OS 305.1562 NA KEGG NA NA +MJ028649 Syndesine C12H23N3O6 305.158685 NA MeJP NA NA +PJ000236 SSL C12H23N3O6 305.1587 NA PeJP NA NA +C01564 Cetraxate C17H23NO4 305.1627 NA KEGG NA NA +C03325 (6S)-Hydroxyhyoscyamine C17H23NO4 305.1627 NA KEGG NA NA +C10613 Porritoxin C17H23NO4 305.1627 NA KEGG NA NA +C10710 Lunacridine C17H23NO4 305.1627 NA KEGG NA NA +C10842 Anisodamine C17H23NO4 305.1627 NA KEGG NA NA +C10854 Convolamine C17H23NO4 305.1627 NA KEGG NA NA +MJ028650 (6S)-Hydroxyhyoscyamine C17H23NO4 305.162708 NA MeJP NA NA +MJ028651 2-(?-Hydroxybenzyl)-3,6-tropanediol; O6-Ac C17H23NO4 305.162708 NA MeJP NA NA +MJ028652 3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether, piperidide C17H23NO4 305.162708 NA MeJP NA NA +MJ028653 6-Hydroxyhyoscyamine C17H23NO4 305.162708 NA MeJP NA NA +MJ028654 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(4-Methoxyphenylacetyl) C17H23NO4 305.162708 NA MeJP NA NA +MJ028655 Bucumolol C17H23NO4 305.162708 NA MeJP NA NA +MJ028656 Cetraxate C17H23NO4 305.162708 NA MeJP NA NA +MJ028657 Convolvine; N-Me C17H23NO4 305.162708 NA MeJP NA NA +MJ028658 Galanthamine, 1,2-Dihydro, N-oxide C17H23NO4 305.162708 NA MeJP NA NA +MJ028659 Hippeastidine; O3-De-Me C17H23NO4 305.162708 NA MeJP NA NA +MJ028660 Isophellibilidine C17H23NO4 305.162708 NA MeJP NA NA +MJ028661 Lunacridine C17H23NO4 305.162708 NA MeJP NA NA +MJ028662 Norcoronatine C17H23NO4 305.162708 NA MeJP NA NA +MJ028663 Phellibilidine C17H23NO4 305.162708 NA MeJP NA NA +MJ028664 Stemoninoamide C17H23NO4 305.162708 NA MeJP NA NA +MJ028665 Tropine tropate, N-Oxide (axial O) C17H23NO4 305.162708 NA MeJP NA NA +MJ028666 Tropine tropate, N-Oxide (equatorial O) C17H23NO4 305.162708 NA MeJP NA NA +MetaCyc02731 (6S)-hydroxyhyoscyamine [(6S)-6-hydroxyhyoscyamine;] C17H23N1O4 305.162708 NA metacyc NA NA +MetaCyc02732 cetraxate [] C17H23N1O4 305.162708 34675-84-8 metacyc NA NA +MJ028667 Dapoxetine C21H23NO 305.177964 NA MeJP NA NA +MJ028668 Diferidin C21H23NO 305.177964 NA MeJP NA NA +MJ028669 Phenoperidone C21H23NO 305.177964 NA MeJP NA NA +MJ028670 Amicetamine C14H27NO6 305.183837 NA MeJP NA NA +MJ028671 Amiprilose C14H27NO6 305.183837 NA MeJP NA NA +MJ028672 Cianopramine C20H23N3 305.189197 NA MeJP NA NA +MJ028673 Fezolamine C20H23N3 305.189197 NA MeJP NA NA +MJ028674 Histaprodifen C20H23N3 305.189197 NA MeJP NA NA +MJ028675 3'-Methoxy-4'-O-methyljoubertiamine, 1?-Alcohol C18H27NO3 305.199093 NA MeJP NA NA +MJ028676 Capsaicin C18H27NO3 305.199093 NA MeJP NA NA +MJ028677 Droxypropine C18H27NO3 305.199093 NA MeJP NA NA +MJ028678 Fawcettiine, 8-Ketone C18H27NO3 305.199093 NA MeJP NA NA +MJ028679 Lycofoline; O5-Ac C18H27NO3 305.199093 NA MeJP NA NA +MJ028680 Lycopecurine; 2?-Acetoxy C18H27NO3 305.199093 NA MeJP NA NA +MJ028681 Lycophlegmarine C18H27NO3 305.199093 NA MeJP NA NA +MJ028682 Lycopodium Base G C18H27NO3 305.199093 NA MeJP NA NA +MJ028683 Lycopodium thyoides Alkaloid C18H27NO3 305.199093 NA MeJP NA NA +MJ028684 Minepentate C18H27NO3 305.199093 NA MeJP NA NA +MJ028685 Protoemetinol; Natural-form, O10-De-Me C18H27NO3 305.199093 NA MeJP NA NA +MJ028686 Protoemetinol; Natural-form, O9-De-Me C18H27NO3 305.199093 NA MeJP NA NA +HMDB02227 Capsaicin C18H27NO3 305.199097 NA HMDB2010 NA NA +HMDB02227 Capsaicin C18H27NO3 305.1991 http://www.hmdb.ca/metabolites/HMDB02227 HMDB NA NA +C06866 Capsaicin C18H27NO3 305.1991 NA KEGG NA NA +C06867 Transferred to D00251 C18H27NO3 305.1991 NA KEGG NA NA +HMDB02227 Capsaicin C18H27NO3 305.1991 HMDB02227 PFEM_hmdb_metabocards_official NA NA +CJpos0728 Hydroxyoctanoylcarnitine [(M+H)]+ (18O) C15H30NO418O 305.208275 C18rt(min)=6.6 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0728 Hydroxyoctanoylcarnitine [(M+H)]+ (18O) C15H30NO418O 305.208275 C18rt(min)=6.6 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ028687 1,4-Epoxy-3-aza-A-homoandrostan-17-ol C19H31NO2 305.235479 NA MeJP NA NA +MJ028688 3-Amino-2-hydroxyandrostan-17-one C19H31NO2 305.235479 NA MeJP NA NA +MJ028689 Samandarine C19H31NO2 305.235479 NA MeJP NA NA +C15281 17beta-Nitro-5alpha-androstane C19H31NO2 305.2355 NA KEGG NA NA +MJ028690 5-Alkyl-1H-pyrrole-2-carboxaldehydes; 5-Pentadecyl-1H-pyrrole-2-carboxaldehyde C20H35NO 305.271864 NA MeJP NA NA +MJ028691 Clavepictine B C20H35NO 305.271864 NA MeJP NA NA +MJ028692 Pyrrolidine; N-(3,6-Hexadecadienoyl) C20H35NO 305.271864 NA MeJP NA NA +3419 NA IRPVQ 305.6815 MH2+ Inhouse_peptide NA peptide +MJ028693 2,3,3-Tribromo-2-propenoic acid C3HBr3O2 305.752667 NA MeJP NA NA +MJ028694 1-Bromo-1,2,4-trichloro-1-octen-3-one C8H10BrCl3O 305.89806 NA MeJP NA NA +C13522 Mitobronitol C6H12Br2O4 305.9102 NA KEGG NA NA +C13523 Secretin C128H216N44O38 305.9102 NA KEGG NA NA +MJ028695 1,6-Dibromo-1,6-dideoxygalactitol C6H12Br2O4 305.910234 NA MeJP NA NA +MJ028696 1,6-Dibromo-1,6-dideoxymannitol C6H12Br2O4 305.910234 NA MeJP NA NA +C14190 2,3,4,5-Tetrachloro-4'-biphenylol C12H6Cl4O 305.9173 NA KEGG NA NA +C14376 4-Hydroxy-2,2',4',6'-tetrachlorobiphenyl C12H6Cl4O 305.9173 NA KEGG NA NA +C14380 4-Hydroxy-2',3,4',6'-tetrachlorobiphenyl C12H6Cl4O 305.9173 NA KEGG NA NA +C14733 2',3',4',5'-Tetrachloro-3-biphenylol C12H6Cl4O 305.9173 NA KEGG NA NA +C15248 4-Hydroxy-2',3,5,5'-tetrachlorobiphenyl C12H6Cl4O 305.9173 NA KEGG NA NA +MJ028697 1,5,6-Trichloro-2-(dichloromethyl)-6-methyl-1,3,7-octatriene C10H11Cl5 305.930338 NA MeJP NA NA +MJ028698 Rimoprogin C8H7IN2OS 305.932376 NA MeJP NA NA +MJ028699 Pyrrolomycin E C10H5Cl3N2O3 305.936575 NA MeJP NA NA +C03987 3-Iodo-4-hydroxyphenylpyruvate C9H7IO4 305.9389 NA KEGG NA NA +MJ028700 5-Bromo-2'-deoxyuridine C9H11BrN2O5 305.985134 NA MeJP NA NA +MJ028701 5-(3-Bromo-4-chloro-4-methylcyclohexyl)-5-methyl-2(5H)-furanone C12H16BrClO2 306.00222 NA MeJP NA NA +HMDB11640 Uridine 2',3'-cyclic phosphate C9H11N2O8P 306.025299 NA HMDB2010 NA NA +C02355 2',3'-Cyclic UMP C9H11N2O8P 306.0253 NA KEGG NA NA +MJ028702 2',3'-Cyclic UMP C9H11N2O8P 306.025301 NA MeJP NA NA +MetaCyc02733 uridine 3'5'-cyclic monophosphate [] C9H11N2O8P1 306.025302 NA metacyc NA NA +MetaCyc02734 uridine 2'3'-cyclic monophosphate [] C9H11N2O8P1 306.025302 NA metacyc NA NA +C13623 Monobromobisphenol A C15H15BrO2 306.0255 NA KEGG NA NA +MJ028703 Panacene C15H15BrO2 306.025542 NA MeJP NA NA +MJ028704 2-Chloro-1,3,6-trihydroxy-8-methylxanthone; 6-Me ether C15H11ClO5 306.029501 NA MeJP NA NA +MJ028705 2-Chloro-1,5,8-trihydroxy-6-methylxanthone; 5-Me ether C15H11ClO5 306.029501 NA MeJP NA NA +MJ028706 4-Chloro-1,3,6-trihydroxy-8-methylxanthone; 3-Me ether C15H11ClO5 306.029501 NA MeJP NA NA +MJ028707 4-Chloro-1,3,6-trihydroxy-8-methylxanthone; 6-Me ether C15H11ClO5 306.029501 NA MeJP NA NA +MJ028708 4-Chloro-3,6,8-trihydroxy-1-methylxanthone; 6-Me ether C15H11ClO5 306.029501 NA MeJP NA NA +MJ028709 5-Chloro-1,4,8-trihydroxy-3-methylxanthone; 4-Me ether C15H11ClO5 306.029501 NA MeJP NA NA +HMDB03263 Pelargonidin C15H11ClO5 306.02951 http://www.hmdb.ca/metabolites/HMDB03263 PFEM_hmdb_metabocards_urine NA urine +HMDB03263 Pelargonidin C15H11ClO5 306.02951 http://www.hmdb.ca/metabolites/HMDB03263 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB03263 Pelargonidin C15H11ClO5 306.02951 http://www.hmdb.ca/metabolites/HMDB03263 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB03263 Pelargonidin C15H11ClO5 306.02951 http://www.hmdb.ca/metabolites/HMDB03263 HMDB NA NA +HMDB03263 Pelargonidin C15H11ClO5 306.02951 HMDB03263 PFEM_hmdb_metabocards_official NA NA +HMDB03263 Pelargonidin C15H11ClO5 306.02951 NA HMDB2010 NA NA +C06673 4-Carboxy-4'-sulfoazobenzene C13H10N2O5S 306.031 NA KEGG NA NA +MJ028710 4-Carboxy-4'-sulfoazobenzene C13H10N2O5S 306.031042 NA MeJP NA NA +MJ028711 Enoxamast C13H10N2O5S 306.031042 NA MeJP NA NA +MJ028712 Brevifolincarboxylic acid; Me ester C14H10O8 306.037567 NA MeJP NA NA +MJ028713 Oosporein C14H10O8 306.037567 NA MeJP NA NA +MJ028714 Phyllanthusiin E; Me ester C14H10O8 306.037567 NA MeJP NA NA +C04524 2-Protocatechoylphloroglucinolcarboxylate C14H10O8 306.0376 NA KEGG NA NA +MJ028715 1-(3,5-Dichloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone C13H16Cl2O4 306.042564 NA MeJP NA NA +JH195 Glycitein [M+Na]+ NA 306.05046 16.16 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH195 Glycitein [M+Na]+ NA 306.05046 16.16 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH195 Glycitein [M+Na]+ NA 306.05046 16.16 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH195 Glycitein [M+Na]+ NA 306.05046 16.16 Inhousejuil11 NA NA +MJ028716 Cyathiformine B; 6-Deoxy, 6?-chloro C12H15ClO7 306.05063 NA MeJP NA NA +C12391 Kinobscurinone C18H10O5 306.0528 NA KEGG NA NA +FL1A1CNF0001 3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone C18H10O5 306.05282 61755-77-9 knapsack NA NA +FLIDWXNF0002 Neoduleen C18H10O5 306.05282 238-67-5 knapsack NA NA +MJ028717 2-(Phenylmethylene)benzo[1,2-b:3,4-b']difuran-3(2H)-one; 3',4'-Methylenedioxy C18H10O5 306.052823 NA MeJP NA NA +MJ028718 Calycin C18H10O5 306.052823 NA MeJP NA NA +MJ028719 Fluostatin A C18H10O5 306.052823 NA MeJP NA NA +MJ028720 Kinobscurinone C18H10O5 306.052823 NA MeJP NA NA +MJ028721 Neoduleen C18H10O5 306.052823 NA MeJP NA NA +MJ028722 Pachyrrhizomene C18H10O5 306.052823 NA MeJP NA NA +MJ028723 Pongaglabrone C18H10O5 306.052823 NA MeJP NA NA +MJ028724 N-(4-Hydroxyphenyl)-3-oxo-1,2-benzisothiazole-2(3H)-acetamide 1,1-dioxide C15H12H2O5S 306.056194 NA MeJP NA NA +MJ028725 Timefurone C15H14O5S 306.056194 NA MeJP NA NA +C11112 Isoprothiolane sulfoxide C12H18O5S2 306.0596 NA KEGG NA NA +JH090 Hippuric acid [2M+K]+ NA 306.0638 10.55 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH090 Hippuric acid [2M+K]+ NA 306.0638 10.55 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH090 Hippuric acid [2M+K]+ NA 306.0638 10.55 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH090 Hippuric acid [2M+K]+ NA 306.0638 10.55 Inhousejuil11 NA NA +C00200 Phenazine methosulfate C13H11N2 306.0674 NA KEGG NA NA +C00201 Nucleoside triphosphate C5H12O13P3R 306.0674 NA KEGG NA NA +MJ028726 Acediasulfone C14H14N2O4S 306.067427 NA MeJP NA NA +MJ028727 Tioxamast C14H14N2O4S 306.067427 NA MeJP NA NA +FL63AGNS0002 (+)-Gallocatechin;(+)-Gallocatechol;Gallocatechin;(2R,3S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol C15H14O7 306.07395 970-73-0 knapsack NA NA +FL63AGNS0003 Epigallocatechin C15H14O7 306.07395 970-74-1 knapsack NA NA +FL6D1GNS0001 Robinetinidol-4alpha-ol C15H14O7 306.07395 4382-45-0 knapsack NA NA +FL6D3CNS0001 Mesquitol-4beta-ol C15H14O7 306.07395 38081-15-1 knapsack NA NA +FL6D3CNS0002 Epimesquitol-4alpha-ol C15H14O7 306.07395 38081-16-2 knapsack NA NA +FL6D3CNS0003 Epimesquitol-4beta-ol C15H14O7 306.07395 38081-17-3 knapsack NA NA +FL6DACNS0001 Leucocyanidin C15H14O7 306.07395 480-17-1 knapsack NA NA +FL6DACNS0002 Catechin-4beta-ol C15H14O7 306.07395 93527-39-0 knapsack NA NA +MJ028728 Leucocyanidin C15H14O7 306.073952 NA MeJP NA NA +MJ028729 2,5,6,8-Tetrahydroxy-3-(2-oxopropyl)-1,4-naphthoquinone; 6,8-Di-Me ether C15H14O7 306.073952 NA MeJP NA NA +MJ028730 3,3',4',5,5',7-Hexahydroxyflavan C15H14O7 306.073952 NA MeJP NA NA +MJ028731 3,3',4,4',5',7-Hexahydroxyflavan C15H14O7 306.073952 NA MeJP NA NA +MJ028732 3,3',4,4',5,7-Hexahydroxyflavan C15H14O7 306.073952 NA MeJP NA NA +MJ028733 3,3',4,4',7,8-Hexahydroxyflavan C15H14O7 306.073952 NA MeJP NA NA +MJ028734 6-(3,4-Methylenedioxyphenyl)-2H-pyran-2-one; 2',4,5-Trimethoxy C15H14O7 306.073952 NA MeJP NA NA +MJ028735 Canescin A C15H14O7 306.073952 NA MeJP NA NA +MJ028736 Dehydroaltenusinic acid C15H14O7 306.073952 NA MeJP NA NA +MJ028737 Fusarubin C15H14O7 306.073952 NA MeJP NA NA +MJ028738 Isofusarubin C15H14O7 306.073952 NA MeJP NA NA +MJ028739 Novarubin C15H14O7 306.073952 NA MeJP NA NA +MJ028740 Plagiogyrin A C15H14O7 306.073952 NA MeJP NA NA +MJ028741 Ptaerocyclin C15H14O7 306.073952 NA MeJP NA NA +MetaCyc02735 leucocyanidin [a flavan-3,4-diol;2,3-trans-3,4-cis-leucocyanidin;] C15H14O7 306.073953 NA metacyc NA NA +C05906 Leucocyanidin C15H14O7 306.074 NA KEGG NA NA +C12127 (+)-Gallocatechin C15H14O7 306.074 NA KEGG NA NA +C12136 (-)-Epigallocatechin C15H14O7 306.074 NA KEGG NA NA +HMDB03337 Oxidized glutathione C20H32N6O12S2 306.075989 MH2+ Inhouse_peptide NA peptide +MJ028742 2-(5-Hydroxy-2-pentenyl)-3-oxocyclopentaneacetic acid, O-Sulfate C12H18O7S 306.077323 NA MeJP NA NA +MJ028743 Sulfisomidine; N4-Formyl C13H14N4O3S 306.078661 NA MeJP NA NA +MJ028744 2-[(2-Methyl-1H-imidazol-1-yl)methyl]-1H-naphtho[2,1-b]thiopyran-1-one C18H14N2OS 306.082683 NA MeJP NA NA +MetaCyc02736 2-oxindole-3-acetyl-asp [2-oxindole-3-acetyl-aspartic acid;2-oxindole-3-acetyl-aspartate;] C14H14N2O6 306.085186 NA metacyc NA NA +MJ028745 Aronixil C14H15ClN4O2 306.088353 NA MeJP NA NA +MJ028746 N-?-Glutamylcysteine; L-L-form, S-(1-Propenyl), S-oxide C11H18N2O6S 306.088557 NA MeJP NA NA +MJ028747 2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol, 3-Ketone C19H14O4 306.089208 NA MeJP NA NA +MJ028748 2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol, 1-Ketone C19H14O4 306.089208 NA MeJP NA NA +MJ028749 2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol, 3-Ketone C19H14O4 306.089208 NA MeJP NA NA +MJ028750 3-[2-(3,4-Dihydroxyphenyl)-3-methyl-5-benzofuranyl]-2-propenal, 3',4'-Methylene ether C19H14O4 306.089208 NA MeJP NA NA +MJ028751 Ochromycinone C19H14O4 306.089208 NA MeJP NA NA +MJ028752 Glutathione; 1-Amide C10H18N4O5S 306.09979 NA MeJP NA NA +MetaCyc02737 glutathione amide [GASH;] C10H18N4O5S1 306.09979 NA metacyc NA NA +PJ000237 GCQ C10H18N4O5S 306.0998 NA PeJP NA NA +MJ028753 Telazoline; 3-Methoxy C18H14N2O3 306.100442 NA MeJP NA NA +MJ028754 1-(Ethoxymethyl)-5-ethyl-6-(phenylthio)-2,4(1H,3H)-pyrimidinedione C15H18N2O3S 306.103813 NA MeJP NA NA +MJ028755 Fluconazole C13H12F2N6O 306.104065 NA MeJP NA NA +MetaCyc02738 rhizobactin 1021 core [] C11H18N2O8 306.106316 NA metacyc NA NA +C09000 Cimifugin C16H18O6 306.1103 NA KEGG NA NA +MJ028756 1,7,8,9-Tetrahydro-1,9-dihydroxy-4-methoxy-5-methyl-8-(1-methylethenyl)-3H-furo[3,4-f][1]benzopyran-3-one C16H18O6 306.110338 NA MeJP NA NA +MJ028757 17-Hydroxy-13,14,15,16-tetranor-7,9(11)-labdadiene-12,17:19,6-diolide, 7?,8?-Epoxide C16H18O6 306.110338 NA MeJP NA NA +MJ028758 2,3-Epoxy-8-hydroxy-1,3,11(13)-elematrien-15,6-olid-12-oic acid, Me ester C16H18O6 306.110338 NA MeJP NA NA +MJ028759 2,5,7-Trihydroxy-3-(5-hydroxyhexyl)-1,4-naphthoquinone C16H18O6 306.110338 NA MeJP NA NA +MJ028760 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7,8-Di-Me ether, 5-O-(2,3-epoxy-3-methylbutyl) C16H18O6 306.110338 NA MeJP NA NA +MJ028761 5,7-Dihydroxy-6-methyl-3-oxo-4(1H)-isobenzofurancarboxylic acid; 5-Me ether, 7-O-(3-methyl-2-butenyl) C16H18O6 306.110338 NA MeJP NA NA +MJ028762 5-(2-Hydroxypropoxy)-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid C16H18O6 306.110338 NA MeJP NA NA +MJ028763 5-Hydroxy-3-(2-hydroxypropyl)-6,8-dimethoxy-2-methyl-1,4-naphthoquinone C16H18O6 306.110338 NA MeJP NA NA +MJ028764 6-(1-Hydroxyethyl)-5-hydroxy-2,7-dimethoxy-1,4-naphthoquinone; 1'-Et ether C16H18O6 306.110338 NA MeJP NA NA +MJ028765 6-Methoxy-3',4'-dehydromurranganon; 3',4'-Dihydro C16H18O6 306.110338 NA MeJP NA NA +MJ028766 8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether, 2'-O-formyl C16H18O6 306.110338 NA MeJP NA NA +MJ028767 Angelicain, 4-Me ether C16H18O6 306.110338 NA MeJP NA NA +MJ028768 Citreoisocoumarinol; 4'-Ketone, 6,8-di-Me ether C16H18O6 306.110338 NA MeJP NA NA +MJ028769 Citrusal; 5-Methoxy, 3'-carboxylic acid C16H18O6 306.110338 NA MeJP NA NA +MJ028770 Curvularin, 10,11-Didehydro, 12-hydroxy C16H18O6 306.110338 NA MeJP NA NA +MJ028771 Curvularin, 12-Oxo C16H18O6 306.110338 NA MeJP NA NA +MJ028772 Glabralactone; 2',3'-Dihydro, 3'-hydroxy C16H18O6 306.110338 NA MeJP NA NA +MJ028773 Grandmarin, 2'-Me ether C16H18O6 306.110338 NA MeJP NA NA +MJ028774 Greveiglycol C16H18O6 306.110338 NA MeJP NA NA +MJ028775 Helipyrone B C16H18O6 306.110338 NA MeJP NA NA +MJ028776 Italicic acid; Me ester C16H18O6 306.110338 NA MeJP NA NA +MJ028777 Protogenkwanin; 2',3',5',6'-Tetrahydro C16H18O6 306.110338 NA MeJP NA NA +MJ028778 Rehmaglutin C; 3-Deoxo, 6-O-(4-hydroxybenzoyl) C16H18O6 306.110338 NA MeJP NA NA +MJ028779 Trigocoumarin C16H18O6 306.110338 NA MeJP NA NA +MJ028780 Ursinoic acid; 7-Methoxy C16H18O6 306.110338 NA MeJP NA NA +MJ028781 Metioprim C14H18N4O2S 306.115046 NA MeJP NA NA +PJ000238 SSN C10H18N4O7 306.1176 NA PeJP NA NA +C01632 Z-Gly-Pro C15H18N2O5 306.1216 NA KEGG NA NA +FL1C19NP0002 Lonchocarpin C20H18O3 306.12559 31501-55-0 knapsack NA NA +FL2F19NP0001 (-)-Isolonchocarpin C20H18O3 306.12559 34198-88-4 knapsack NA NA +MJ028782 2,4-Bis(4-hydroxybenzyl)phenol C20H18O3 306.125594 NA MeJP NA NA +MJ028783 Bungone A C20H18O3 306.125594 NA MeJP NA NA +MJ028784 Isolonchocarpin C20H18O3 306.125594 NA MeJP NA NA +MJ028785 Lonchocarpin C20H18O3 306.125594 NA MeJP NA NA +MJ028786 Phenolphthalol C20H18O3 306.125594 NA MeJP NA NA +MJ028787 Plectranthone A C20H18O3 306.125594 NA MeJP NA NA +MJ028788 Plectranthone D C20H18O3 306.125594 NA MeJP NA NA +MJ028789 4-Ethyldihydro-3-hydroxy-4-methyl-2(3H)-furanone, O-?-D-Glucopyranoside C13H22O8 306.131467 NA MeJP NA NA +PJ000239 GCK C11H22N4O4S 306.1362 NA PeJP NA NA +MJ028790 3,3-Di-1H-indol-3-yl-1,2-propanediol C19H18N2O2 306.136827 NA MeJP NA NA +MJ028791 3,6-Dibenzyl-2,5-dihydroxypyrazine; Mono-Me ether C19H18N2O2 306.136827 NA MeJP NA NA +MJ028792 Ciproquazone C19H18N2O2 306.136827 NA MeJP NA NA +MJ028793 Halfordinol; O-(3-Methyl-2-butenyl) C19H18N2O2 306.136827 NA MeJP NA NA +MJ028794 Halfordinol; O-(3-Methyl-3-butenyl) C19H18N2O2 306.136827 NA MeJP NA NA +MJ028795 Mappicine C19H18N2O2 306.136827 NA MeJP NA NA +MJ028796 Prebalamide C19H18N2O2 306.136827 NA MeJP NA NA +MJ028797 Rhazinilam, 3-Oxo, 14,15-didehydro C19H18N2O2 306.136827 NA MeJP NA NA +MJ028798 Tryptamine; Nb-(4-Hydroxycinnamoyl) C19H18N2O2 306.136827 NA MeJP NA NA +MJ028799 Strychnoxanthine C19H19N2O2(+) 306.136827 NA MeJP NA NA +MJ028800 1,4-Butanediamine; N-[3-(Methylthio)-2-propenoyl](E-), N'-phenylacetyl C16H22N2O2S 306.140198 NA MeJP NA NA +MJ028801 N-(6-Aminohexyl)-1-naphthalenesulfonamide C16H22N2O2S 306.140198 NA MeJP NA NA +MJ028802 6,7-Diphenyl-2,4,8,10-dodecatetrayne C24H18 306.14085 NA MeJP NA NA +C01513 Lupinate C13H18N6O3 306.144 NA KEGG NA NA +MJ028803 Lupinic acid C13H18N6O3 306.144038 NA MeJP NA NA +MJ028804 Lupinate C13H18N6O3 306.144038 NA MeJP NA NA +MetaCyc02739 lupinate [] C13H18N6O3 306.144038 67392-79-4 metacyc NA NA +C09299 Arnicolide A C17H22O5 306.1467 NA KEGG NA NA +C09374 Confertiflorin C17H22O5 306.1467 NA KEGG NA NA +C09431 Eupaformonin C17H22O5 306.1467 NA KEGG NA NA +C09455 Gaillardin C17H22O5 306.1467 NA KEGG NA NA +C09487 Isotenulin C17H22O5 306.1467 NA KEGG NA NA +C09494 Ligulatin B C17H22O5 306.1467 NA KEGG NA NA +C09497 Lipiferolide C17H22O5 306.1467 NA KEGG NA NA +C09499 Matricin C17H22O5 306.1467 NA KEGG NA NA +C09522 Ovatifolin C17H22O5 306.1467 NA KEGG NA NA +C09536 Pyrethrosin C17H22O5 306.1467 NA KEGG NA NA +C09557 Tenulin C17H22O5 306.1467 NA KEGG NA NA +C09587 Viscidulin B C17H22O5 306.1467 NA KEGG NA NA +C09602 Xanthinin C17H22O5 306.1467 NA KEGG NA NA +C09603 Xanthumin C17H22O5 306.1467 NA KEGG NA NA +MJ028805 1,10-Epoxy-15-hydroxy-4,11(13)-germacradien-12,8-olide, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028806 1,10-Epoxy-15-hydroxy-4,11(13)-germacradien-12,8-olide, 15-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028807 1,10-Epoxy-6-hydroxy-4,11(13)-germacradien-12,8-olide, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028808 1,10-Epoxy-8-hydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028809 1,2-Dihydroxy-4,11(13)-eudesmadien-12,8-olide, 2-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028810 1,2-Dihydroxy-5,11(13)-eudesmadien-12,8-olide, 2-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028811 1,3-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 3-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028812 1,3-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 3-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028813 1,3-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 3-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028814 1,3-Dihydroxy-4-eudesmen-12,6-olide, 3-Ketone, 1-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028815 1,6-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 6-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028816 1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide, 6-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028817 1,6-Dihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028818 1,6-Dihydroxy-4,9,11(13)-germacratrien-12,8-olide, 6-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028819 1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028820 1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 1-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028821 1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028822 1,8-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028823 1,8-Dihydroxy-3,7(11)-eudesmadien-12,8-olide, 1-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028824 1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028825 1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028826 1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028827 1-Hydroxy-12-oxo-2,6,10-farnesatrien-14,5-olide; Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028828 1-Hydroxy-3-oxo-9,11(13)-eremophiladien-12-oic acid; 1?-form, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028829 1-Hydroxy-8-oxo-2,6,9-humulatrien-15-oic acid, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028830 10,14-Epoxy-8-hydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028831 13-Hydroxy-3-oxo-1(10),7(11)-germacradien-12,6-olide, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028832 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028833 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 15-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028834 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028835 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 15-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028836 2,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028837 2,3-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028838 2,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028839 2,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 2-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028840 2,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028841 2,3-Dihydroxy-5,11(13)-eudesmadien-12,8-olide, 2-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028842 2,4-Dihydroxy-1(10),11(13)-guaiadien-12,8-olide, 2-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028843 2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 4-Ketone, 2-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028844 2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 2-Ketone, 4-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028845 2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 4-Ketone, 2-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028846 2,4-Dihydroxy-10(14),11(13)-guaiadien-12,8-olide, 2-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028847 2,4-Dihydroxy-5,11(13)-guaiadien-12,8-olide, 2-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028848 2,4-Dihydroxy-9,11(13)-guaiadien-12,8-olide, 2-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028849 2,5-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 2-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028850 2,6-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 6-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028851 2,7-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 2-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028852 2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 2-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028853 2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028854 2-Hydroxy-3-oxo-1(10),11(13)-eremophiladien-12-oic acid, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028855 3,13-Dihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 13-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028856 3,13-Dihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 3-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028857 3,20-Epoxy-3,14-dihydroxy-19,6-podocarpanolide, 14-Ketone C17H22O5 306.146723 NA MeJP NA NA +MJ028858 3,4-Epoxy-1-hydroxy-11(13)-guaien-12,8-olide; Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028859 3,4-Epoxy-8-hydroxy-1(10),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028860 3,4-Epoxy-8-hydroxy-10(14),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028861 3,6-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 3-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028862 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028863 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028864 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028865 3,8-Dihydroxy-1(10),4-germacradien-12,6-olide, 3-Ketone, 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028866 3,8-Dihydroxy-10(14)-guaien-12,6-olide, 3-Ketone, 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028867 3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 3-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028868 3,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028869 3-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 1?,10?-Epoxide, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028870 3-Hydroxy-1-oxo-4,10(14),11(13)-germacratrien-12-oic acid, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028871 3-Hydroxy-2-oxo-1(10),11(13)-eremophiladien-12-oic acid, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028872 3-Hydroxy-8-oxo-6,9-eremophiladien-12-oic acid, 3-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028873 4,15-Dihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ketone, 15-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028874 4,5-Epoxy-14-hydroxy-1(10),11(13)-germacradien-12,8-olide, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028875 4,5-Epoxy-15-hydroxy-11(13)-guaien-12,8-olide, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028876 4,5-Epoxy-2-hydroxy-1(10),11(13)-germacradien-12,8-olide, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028877 4,5-Epoxy-2-hydroxy-11(13)-guaien-12,8-olide, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028878 4,5-Epoxy-3-hydroxy-1(10),11(13)-germacradien-12,6-olide, 3-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028879 4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028880 4,5-Epoxy-9-hydroxy-1(10),11(13)-germacradien-12,6-olide, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028881 4,6-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028882 4,6-Dihydroxy-9,11(13)-guaiadien-12,8-olide, 6-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028883 4,8-Dihydroxy-1(10),2-guaiadien-12,6-olide, 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028884 4,8-Dihydroxy-1,9-guaiadien-12,6-olide; 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028885 4,8-Dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028886 4-Hydroxy-1(10),2-guaiadien-12,6-olide, 14-Acetoxy C17H22O5 306.146723 NA MeJP NA NA +MJ028887 4-Hydroxy-9,11(13)-guaiadien-12,8-olide, 14-Acetoxy C17H22O5 306.146723 NA MeJP NA NA +MJ028888 5,7-Dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-propanoic acid; Di-Me ether, Me ester C17H22O5 306.146723 NA MeJP NA NA +MJ028889 5,7-Dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-methyl-4H-1-benzopyran-4-one; 5,7-Di-Me ether C17H22O5 306.146723 NA MeJP NA NA +MJ028890 5-Hydroxy-4,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde; O-(4-Acetoxy-3-methyl-2-butenoyl) C17H22O5 306.146723 NA MeJP NA NA +MJ028891 6,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 6-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028892 6,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028893 6-Hydroxy-1,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028894 6-Hydroxy-4-oxo-1(5),11(13)-xanthadien-12,8-olide, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028895 6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028896 8,10-Dihydroxy-1,4-guaiadien-12,6-olide, 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028897 8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028898 8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028899 8,14-Dihydroxy-1,3,11(13)-elematrien-12,6-olide, 14-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028900 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 15-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028901 8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether, 2'-Et ether C17H22O5 306.146723 NA MeJP NA NA +MJ028902 8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether, 3'-Et ether C17H22O5 306.146723 NA MeJP NA NA +MJ028903 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Epoxide, 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028904 8-Hydroxy-1-oxo-4-eudesmen-12,6-olide, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028905 8-Hydroxy-14-oxo-1(10),4-germacradien-12,6-olide, 8-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028906 8-Hydroxy-4-oxo-11(13)-pseudoguaien-12,6-olide, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028907 8-Hydroxy-4-oxo-7(11)-pseudoguaien-12,6-olide, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028908 9,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 15-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028909 9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 1?,10?-Epoxide, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028910 9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 4,5?-Epoxide, Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028911 Anthepseudolide; Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028912 Antibiotic TAN 1446A C17H22O5 306.146723 NA MeJP NA NA +MJ028913 Cladosporin; 6-Me ether C17H22O5 306.146723 NA MeJP NA NA +MJ028914 Cladosporin; 8-Me ether C17H22O5 306.146723 NA MeJP NA NA +MJ028915 Eremofortin C; 12-Deoxy C17H22O5 306.146723 NA MeJP NA NA +MJ028916 Euplotin B C17H22O5 306.146723 NA MeJP NA NA +MJ028917 Expansolide A C17H22O5 306.146723 NA MeJP NA NA +MJ028918 Ferulol; 2-(Acetoxymethyl)-2-butenoyl(Z-) C17H22O5 306.146723 NA MeJP NA NA +MJ028919 Ferulol; O-(4-Acetoxy-3-methyl-2-butenoyl) C17H22O5 306.146723 NA MeJP NA NA +MJ028920 Heleniamarin C17H22O5 306.146723 NA MeJP NA NA +MJ028921 Isoferulol; O-(4-Acetoxy-3-methyl-2-butenoyl) C17H22O5 306.146723 NA MeJP NA NA +MJ028922 Ivaxillarin; 3?-Alcohol, 3-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028923 Lasiodiplodin, 5-Oxo C17H22O5 306.146723 NA MeJP NA NA +MJ028924 Naematolin; 8-Ketone C17H22O5 306.146723 NA MeJP NA NA +MJ028925 Ngaione, 10,11-Didehydro, 12-acetoxy C17H22O5 306.146723 NA MeJP NA NA +MJ028926 Oxaspirol A C17H22O5 306.146723 NA MeJP NA NA +MJ028927 Plagiochiline L C17H22O5 306.146723 NA MeJP NA NA +MJ028928 Rhaphidecurperoxin C17H22O5 306.146723 NA MeJP NA NA +MJ028929 Tenulin C17H22O5 306.146723 NA MeJP NA NA +MJ028930 Zaluzanin A; 3-Ac C17H22O5 306.146723 NA MeJP NA NA +MJ028931 p-Mentha-1,3,5,8(10)-tetraene-2,5,9-triol; 2-Me ether, 5-(2-methylpropanoyl), 9-Ac C17H22O5 306.146723 NA MeJP NA NA +4001 Substance P 7-11 FFGLM~ 306.1487 MH2+ Inhouse_peptide NA peptide +MJ028932 Diatretol C16H22N2O4 306.157957 NA MeJP NA NA +MJ028933 Inproquone C16H22N2O4 306.157957 NA MeJP NA NA +MJ028934 Inthomycin, 10?-Hydroxy C16H22N2O4 306.157957 NA MeJP NA NA +MJ028935 3',4',5,6,7,8-Hexamethylflavone C21H22O2 306.161979 NA MeJP NA NA +MJ028936 3,3',4',5,7,8-Hexamethylflavone C21H22O2 306.161979 NA MeJP NA NA +MJ028937 Endiandric acid A C21H22O2 306.161979 NA MeJP NA NA +MJ028938 1-Hydroxy-3-octanone; O-?-D-Glucopyranoside C14H26O7 306.167853 NA MeJP NA NA +MJ028939 (4-Aminobutyl)guanidine; N1-(4-Hydroxy-3-methoxy-E-cinnamoyl) C15H22N4O3 306.16919 NA MeJP NA NA +MJ028940 Propentofylline C15H22N4O3 306.16919 NA MeJP NA NA +C01670 Bz-Arg-OEt C15H22N4O3 306.1692 NA KEGG NA NA +MJ028941 11-Methoxy-?14-vincamenine C20H22N2O 306.173213 NA MeJP NA NA +MJ028942 16-Epidehydroaffinisine C20H22N2O 306.173213 NA MeJP NA NA +MJ028943 Aristoteline, 13-Oxo, 15,16-didehydro C20H22N2O 306.173213 NA MeJP NA NA +MJ028944 Aspidofractinine, 14,15-Didehydro, N1-formyl C20H22N2O 306.173213 NA MeJP NA NA +MJ028945 Borrecapine; 1',5'-Didehydro C20H22N2O 306.173213 NA MeJP NA NA +MJ028946 Cinchonidine C20H22N2O 306.173213 NA MeJP NA NA +MJ028947 Hobartine, 8-Oxo, 9,N-didehydro C20H22N2O 306.173213 NA MeJP NA NA +MJ028948 Hobartine, ?6,13-Isomer, 8-oxo, 9,N-didehydro C20H22N2O 306.173213 NA MeJP NA NA +MJ028949 Kopsanol; 22-Ketone C20H22N2O 306.173213 NA MeJP NA NA +MJ028950 Koumine C20H22N2O 306.173213 NA MeJP NA NA +MJ028951 Makonine C20H22N2O 306.173213 NA MeJP NA NA +MJ028952 Vellosimine; N1-Me C20H22N2O 306.173213 NA MeJP NA NA +MJ028953 C-Alkaloid B C20H23N2O(+) 306.173213 NA MeJP NA NA +MJ028954 C-Alkaloid P C20H23N2O(+) 306.173213 NA MeJP NA NA +MJ028955 Nor-C-fluorocurarine, Nb-Me C20H23N2O(+) 306.173213 NA MeJP NA NA +C14183 Compactin diol lactone C18H26O4 306.1831 NA KEGG NA NA +C14300 Di-n-pentyl phthalate C18H26O4 306.1831 NA KEGG NA NA +MJ028956 1,2-Benzenedicarboxylic acid; Butyl 2-ethylbutyl ester C18H26O4 306.183109 NA MeJP NA NA +MJ028957 11-Hydroxy-5-silphiperfolen-13-oic acid; 11?-form, Ac, Me ester C18H26O4 306.183109 NA MeJP NA NA +MJ028958 15-Hydroxy-3,11(13)-eudesmadien-12-oic acid; Propanoyl C18H26O4 306.183109 NA MeJP NA NA +MJ028959 2,4-Dihydroxy-6-pentyl-3-prenylbenzoic acid; 4-Me ether C18H26O4 306.183109 NA MeJP NA NA +MJ028960 3-Hydroxy-4,11(13)-eudesmadien-12-oic acid, Ac, Me ester C18H26O4 306.183109 NA MeJP NA NA +MJ028961 3-Hydroxy-4-isopropylbenzyl alcohol; Bis(2-methylpropanoyl) C18H26O4 306.183109 NA MeJP NA NA +MJ028962 6-Hydroxy-3(15),7(14)-caryophylladien-8-one, 12-Acetoxy, Me ether C18H26O4 306.183109 NA MeJP NA NA +MJ028963 6-Hydroxy-3(15),7(14)-caryophylladien-8-one; 6?-form, 12-Acetoxy, Me ether C18H26O4 306.183109 NA MeJP NA NA +MJ028964 8,17-Epoxy-15,16-dinor-13-oxo-11-labden-19-oic acid C18H26O4 306.183109 NA MeJP NA NA +MJ028965 9,16-Dioxo-10,12,14-octadecatrienoic acid C18H26O4 306.183109 NA MeJP NA NA +MJ028966 Albocycline K2; 9'-Ketone C18H26O4 306.183109 NA MeJP NA NA +MJ028967 Antibiotic ML 236A C18H26O4 306.183109 NA MeJP NA NA +MJ028968 Barbacenic acid; 3-Deoxy C18H26O4 306.183109 NA MeJP NA NA +MJ028969 Chromomoric acid D C18H26O4 306.183109 NA MeJP NA NA +MJ028970 Mikanialactone C18H26O4 306.183109 NA MeJP NA NA +MJ028971 Ovalimethoxy I C18H26O4 306.183109 NA MeJP NA NA +MJ028972 Trisporic acid C C18H26O4 306.183109 NA MeJP NA NA +HMDB04269 Corrinoid C19H22N4 306.184448 NA HMDB2010 NA NA +HMDB04269 Corrinoid C19H22N4 306.18445 http://www.hmdb.ca/metabolites/HMDB04269 HMDB NA NA +HMDB04269 Corrinoid C19H22N4 306.18445 HMDB04269 PFEM_hmdb_metabocards_official NA NA +MJ028973 Seldomycin 2 C12H26N4O5 306.190319 NA MeJP NA NA +MJ028974 13-Hydroxylupanine; O-Ac C17H26N2O3 306.194342 NA MeJP NA NA +MJ028975 2-Hydroxybenzamide; O-Ac, N-(diethylaminobutyl) C17H26N2O3 306.194342 NA MeJP NA NA +MJ028976 4-Hydroxylupanine, Ac C17H26N2O3 306.194342 NA MeJP NA NA +MJ028977 Angustifoline, N-Ethoxycarbonyl C17H26N2O3 306.194342 NA MeJP NA NA +MJ028978 Matrine, 14?-Acetoxy C17H26N2O3 306.194342 NA MeJP NA NA +MJ028979 Matrine, 14?-Acetoxy C17H26N2O3 306.194342 NA MeJP NA NA +MJ028980 Roxatidine C17H26N2O3 306.194342 NA MeJP NA NA +MJ028981 Soquinolol C17H26N2O3 306.194342 NA MeJP NA NA +C13949 9-Chloro-10-hydroxyhexadecanoic acid C16H31ClO3 306.1962 NA KEGG NA NA +C13950 Transferred to D02175 C16H31ClO3 306.1962 NA KEGG NA NA +C15074 16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one C19H27FO2 306.1995 NA KEGG NA NA +C15276 2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one C19H27FO2 306.1995 NA KEGG NA NA +MJ028982 Epitiostanol C19H30OS 306.201736 NA MeJP NA NA +MJ028983 Acanthoine; Tetrahydro C16H26N4O2 306.205576 NA MeJP NA NA +MJ028984 Ruscopine C16H26N4O2 306.205576 NA MeJP NA NA +C08510 Ruscopine C16H26N4O2 306.2056 NA KEGG NA NA +HMDB00523 5-Androstene-3b,16b,17a-triol C19H30O3 306.21948 http://www.hmdb.ca/metabolites/HMDB00523 HMDB NA NA +HMDB00540 5-Androstene-3b,16a,17a-triol C19H30O3 306.21948 http://www.hmdb.ca/metabolites/HMDB00540 HMDB NA NA +HMDB00550 5-Androstenetriol C19H30O3 306.21948 http://www.hmdb.ca/metabolites/HMDB00550 HMDB NA NA +HMDB02984 11-Hydroxyandrosterone C19H30O3 306.21948 http://www.hmdb.ca/metabolites/HMDB02984 HMDB NA NA +HMDB00523 5-Androstene-3b,16b,17a-triol C19H30O3 306.21948 HMDB00523 PFEM_hmdb_metabocards_official NA NA +HMDB00540 5-Androstene-3b,16a,17a-triol C19H30O3 306.21948 HMDB00540 PFEM_hmdb_metabocards_official NA NA +HMDB00550 5-Androstenetriol C19H30O3 306.21948 HMDB00550 PFEM_hmdb_metabocards_official NA NA +HMDB02984 11-Hydroxyandrosterone C19H30O3 306.21948 HMDB02984 PFEM_hmdb_metabocards_official NA NA +HMDB00523 5-Androstene-3b,16b,17a-triol C19H30O3 306.219482 NA HMDB2010 NA NA +HMDB00540 5-Androstene-3b,16a,17a-triol C19H30O3 306.219482 NA HMDB2010 NA NA +HMDB00550 5-Androstenetriol C19H30O3 306.219482 NA HMDB2010 NA NA +HMDB02984 11-Hydroxyandrosterone C19H30O3 306.219482 NA HMDB2010 NA NA +HMDB13156 16-alpha-Hydroxyandrosterone C19H30O3 306.219482 NA HMDB2010 NA NA +HMDB13199 5-Androstene-3alpha-16b,17b-triol C19H30O3 306.219482 NA HMDB2010 NA NA +MJ028985 13,15-Epoxy-16-hydroxy-19-nor-8,10-lobadien-18-one C19H30O3 306.219494 NA MeJP NA NA +MJ028986 14,15-Dinor-13-oxo-8(17),11-labdadien-19-oic acid, 11,12-Dihydro, Me ester C19H30O3 306.219494 NA MeJP NA NA +MJ028987 15,16-Dihydroxy-19-nor-4-rosen-3-one C19H30O3 306.219494 NA MeJP NA NA +MJ028988 15-Hydroxy-17-nor-8-labden-7-one; 13S-form, 15-Carboxylic acid C19H30O3 306.219494 NA MeJP NA NA +MJ028989 19-Nor-3-oxo-4-cleroden-15-oic acid C19H30O3 306.219494 NA MeJP NA NA +MJ028990 3,11-Dihydroxyandrostan-17-one C19H30O3 306.219494 NA MeJP NA NA +MJ028991 3,16-Dihydroxyandrostan-17-one C19H30O3 306.219494 NA MeJP NA NA +MJ028992 3,18-Dihydroxyandrostan-17-one C19H30O3 306.219494 NA MeJP NA NA +MJ028993 3,19-Dihydroxyandrostan-17-one C19H30O3 306.219494 NA MeJP NA NA +MJ028994 3,7-Epoxy-1,10-bisaboladien-12-ol; Butanoyl C19H30O3 306.219494 NA MeJP NA NA +MJ028995 3,7-Epoxy-1,10-bisaboladien-12-ol; Methylpropanoyl C19H30O3 306.219494 NA MeJP NA NA +MJ028996 3-(7-Hexadecenyl)-4-hydroxy-5-methylene-2(5H)-furanone, Lower homologue C19H30O3 306.219494 NA MeJP NA NA +MJ028997 3-Hydroxy-16-nor-7-isopimaren-15-oic acid C19H30O3 306.219494 NA MeJP NA NA +MJ028998 8,13-Epoxy-3-nor-2,3-seco-14-labden-2,4-olide C19H30O3 306.219494 NA MeJP NA NA +MJ028999 Androst-5-ene-3,16,17-triol C19H30O3 306.219494 NA MeJP NA NA +MJ029000 Aplysillolide A C19H30O3 306.219494 NA MeJP NA NA +MJ029001 Dictyopyrone A C19H30O3 306.219494 NA MeJP NA NA +MJ029002 Dihydro-4-hydroxy-5-methylene-3-tetradecylidene-2(3H)-furanone, 11',12'-Didehydro C19H30O3 306.219494 NA MeJP NA NA +MJ029003 Glanvillic acid A C19H30O3 306.219494 NA MeJP NA NA +MJ029004 Haplodesertoic acid; Me ester C19H30O3 306.219494 NA MeJP NA NA +MJ029005 Litseakolide B C19H30O3 306.219494 NA MeJP NA NA +MJ029006 Methyl [3,5-diethyl-5-(2-ethyl-3-hexenyl)-2(5H)-furanylidene]acetate C19H30O3 306.219494 NA MeJP NA NA +MJ029007 Monacolin J; 1-Deoxy, 4,4a-dihydro C19H30O3 306.219494 NA MeJP NA NA +MJ029008 Oxandrolone C19H30O3 306.219494 NA MeJP NA NA +MJ029009 Paradol; [8]Paradol C19H30O3 306.219494 NA MeJP NA NA +MJ029010 Secoxestenone C19H30O3 306.219494 NA MeJP NA NA +MJ029011 [3,5-Diethyl-5-(2-ethylhexyl)-2(5H)-furanylidene]acetic acid, 9,10-Didehydro(E-), Me ester C19H30O3 306.219494 NA MeJP NA NA +MetaCyc02740 dihydromonacolin-L [] C19H30O3 306.219495 NA metacyc NA NA +C07346 Oxandrolone C19H30O3 306.2195 NA KEGG NA NA +C14553 3alpha,11beta-Dihydroxy-5beta-androstane-17-one C19H30O3 306.2195 NA KEGG NA NA +C14606 3alpha,11beta-Dihydroxy-5alpha-androstane-17-one C19H30O3 306.2195 NA KEGG NA NA +C15097 Androst-5-ene-3beta,17beta,19-triol C19H30O3 306.2195 NA KEGG NA NA +C15136 3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one C19H30O3 306.2195 NA KEGG NA NA +C15536 Dihydromonacolin L C19H30O3 306.2195 NA KEGG NA NA +MJ029012 Colestyramine C22H28N 306.222174 NA MeJP NA NA +MJ029013 Butacaine C18H30N2O2 306.230728 NA MeJP NA NA +MJ029014 Calocaine C18H30N2O2 306.230728 NA MeJP NA NA +MJ029015 Octadecanoic acid salts; Na salt C18H35NaO2 306.253475 NA MeJP NA NA +MJ029016 1(10),13-Halimadiene-2,15-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029017 1(10)-Rosene-15,16-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029018 1,12-Epoxy-3,7-cembradien-11-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029019 1,3,7-Cembratriene-11,12-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029020 1,6,10,13-Phytatetraene-2,14-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029021 1,6,10,14-Phytatetraene-3,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029022 1,6,10,14-Phytatetraene-3,17-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029023 1,6,10,14-Phytatetraene-3,5-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029024 1,6,10,14-Phytatetraene-3,9-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029025 1-Hydroxy-2,6,10,14-phytatetraen-13-one, 2,3-Dihydro C20H34O2 306.25588 NA MeJP NA NA +MJ029026 1-Hydroxy-2,6,10-phytatrien-13-one C20H34O2 306.25588 NA MeJP NA NA +MJ029027 11,12-Epoxy-2,7-cembradien-4-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029028 11,14,17-Eicosatrienoic acid C20H34O2 306.25588 NA MeJP NA NA +MJ029029 11,14-Labdadiene-8,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029030 11-Mulinene-13,20-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029031 12,14-Labdadiene-3,8-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029032 12,14-Labdadiene-6,8-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029033 12,14-Labdadiene-7,8-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029034 12,14-Labdadiene-8,11-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029035 12,14-Labdadiene-8,18-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029036 12,14-Labdadiene-9,18-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029037 12,16-Stemodanediol C20H34O2 306.25588 NA MeJP NA NA +MJ029038 12-(2-Pentylcyclopropyl)-6,9-dodecadienoic acid C20H34O2 306.25588 NA MeJP NA NA +MJ029039 13(16),14-Labdadiene-6,8-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029040 13(16),14-Labdadiene-8,18-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029041 13,15-Villanovanediol C20H34O2 306.25588 NA MeJP NA NA +MJ029042 13,19-Villanovanediol; 13?-form C20H34O2 306.25588 NA MeJP NA NA +MJ029043 13-Atisene-3,16-diol, 13,14-Dihydro C20H34O2 306.25588 NA MeJP NA NA +MJ029044 13-Hydroxy-14-cleroden-3-one C20H34O2 306.25588 NA MeJP NA NA +MJ029045 13-Hydroxy-7,8-seco-6,14-labdadien-8-one C20H34O2 306.25588 NA MeJP NA NA +MJ029046 13-Labdene-8,15-diol, 15-Aldehyde C20H34O2 306.25588 NA MeJP NA NA +MJ029047 14-Gnaphalene-8,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029048 15,16-Devadaranediol C20H34O2 306.25588 NA MeJP NA NA +MJ029049 15-Cembrene-6,11-dione C20H34O2 306.25588 NA MeJP NA NA +MJ029050 15-Hydroxy-7-labden-6-one C20H34O2 306.25588 NA MeJP NA NA +MJ029051 15-Isopimarene-6,8-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029052 15-Isopimarene-7,8-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029053 15-Isopimarene-8,11-diol; 11?-form C20H34O2 306.25588 NA MeJP NA NA +MJ029054 15-Isopimarene-8,19-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029055 15-Isopimarene-8,20-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029056 15-Pimarene-8,19-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029057 15-Pimarene-9,19-diol; ent-form C20H34O2 306.25588 NA MeJP NA NA +MJ029058 15-Rosene-3,5-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029059 15-Rosene-5,11-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029060 15-Rosene-5,12-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029061 15-Rosene-5,19-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029062 16,17-Kauranediol C20H34O2 306.25588 NA MeJP NA NA +MJ029063 16,17-Stemodanediol; 16?-form C20H34O2 306.25588 NA MeJP NA NA +MJ029064 16,18-Atisanediol C20H34O2 306.25588 NA MeJP NA NA +MJ029065 16,18-Kauranediol C20H34O2 306.25588 NA MeJP NA NA +MJ029066 16,19-Atisanediol C20H34O2 306.25588 NA MeJP NA NA +MJ029067 16,19-Kauranediol C20H34O2 306.25588 NA MeJP NA NA +MJ029068 16,19-Phyllocladanediol; 16?-form C20H34O2 306.25588 NA MeJP NA NA +MJ029069 17,19-Kauranediol C20H34O2 306.25588 NA MeJP NA NA +MJ029070 17-Cneorubene-4,10-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029071 17-Dolastene-1,4-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029072 18-Hydroxy-7-dolabellen-3-one C20H34O2 306.25588 NA MeJP NA NA +MJ029073 18-Methyl-8,11,14-nonadecatrienoic acid C20H34O2 306.25588 NA MeJP NA NA +MJ029074 2,16-Kauranediol C20H34O2 306.25588 NA MeJP NA NA +MJ029075 2,17-Sphenolobadiene-4,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029076 2,6,10,13-Phytatetraene-1,15-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029077 2,6,10,14-Phytatetraene-1,12-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029078 2,6,10,14-Phytatetraene-1,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029079 2,6,10,14-Phytatetraene-1,16-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029080 2,6,10,14-Phytatetraene-1,18-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029081 2,6,10,14-Phytatetraene-1,19-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029082 2,6,10,14-Phytatetraene-1,20-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029083 2,6,10,14-Phytatetraene-1,9-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029084 2,6,11-Cembratriene-4,8-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029085 2,7,11-Cembratriene-1,4-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029086 2,7,11-Cembratriene-4,10-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029087 2,7,11-Cembratriene-4,15-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029088 2,7,11-Cembratriene-4,6-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029089 2,7-Dolabelladiene-10,18-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029090 2,7-Dolabelladiene-12,18-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029091 2,8-Verrucosanediol C20H34O2 306.25588 NA MeJP NA NA +MJ029092 2,9-Verrucosanediol C20H34O2 306.25588 NA MeJP NA NA +MJ029093 2-Cyclopentene-1-pentadecanoic acid, 8,9-Didehydro C20H34O2 306.25588 NA MeJP NA NA +MJ029094 2-Cyclopentene-1-pentadecanoic acid, 9,10-Didehydro C20H34O2 306.25588 NA MeJP NA NA +MJ029095 2-Homoverrucosene-5,18-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029096 2-Methyl-5-(8-tridecenyl)-1,3-benzenediol, 8',9'-Dihydro C20H34O2 306.25588 NA MeJP NA NA +MJ029097 3,13-Clerodadien-15-ol, 3?,4?-Epoxide C20H34O2 306.25588 NA MeJP NA NA +MJ029098 3,13-Clerodadiene-15,16-diol, 15-Carboxylic acid, 16-aldehyde C20H34O2 306.25588 NA MeJP NA NA +MJ029099 3,13-Clerodadiene-15,17-diol, 13?,14-Dihydro, 15-aldehyde C20H34O2 306.25588 NA MeJP NA NA +MJ029100 3,13-Clerodadiene-15,17-diol, 13?,14-Dihydro,17-aldehyde C20H34O2 306.25588 NA MeJP NA NA +MJ029101 3,13-Clerodadiene-15,17-diol, 17-Succinoyl C20H34O2 306.25588 NA MeJP NA NA +MJ029102 3,13-Clerodadiene-15,18-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029103 3,14-Clerodadiene-13,18-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029104 3,14-Clerodadiene-2,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029105 3,14-Clerodadiene-6,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029106 3,15-Epoxy-7,11-cembradien-4-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029107 3,16-Kauranediol C20H34O2 306.25588 NA MeJP NA NA +MJ029108 3,16-Sphenolobadiene-13,18-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029109 3,4-Epoxy-1(15),7-cembradien-12-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029110 3,4-Epoxy-14-cleroden-13-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029111 3,4-Seco-2-verrucosene-5,6-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029112 3,7,10-Cembratriene-12,15-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029113 3,7,11-Cembratrien-15-ol, 3,4-Epoxide C20H34O2 306.25588 NA MeJP NA NA +MJ029114 3,7,11-Cembratriene-15,16-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029115 3,7,11-Cembratriene-2,15-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029116 3,7-Cyclo-1,11-cembradiene-4,8-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029117 3,7-Dolabelladiene-6,12-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029118 3,7-Dolabelladiene-9,12-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029119 3-Cleroden-15-oic acid C20H34O2 306.25588 NA MeJP NA NA +MJ029120 3-Erythroxylene-15,16-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029121 3-Hydroxy-1,6,10,14-phytatetraen-12-one, 10,11-Dihydro C20H34O2 306.25588 NA MeJP NA NA +MJ029122 3-Viscidene-5,16-diol; 5-Ketone C20H34O2 306.25588 NA MeJP NA NA +MJ029123 4(18),13-Clerodadiene-3,15-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029124 4(18)-Cleroden-15-oic acid C20H34O2 306.25588 NA MeJP NA NA +MJ029125 4(18)-Erythroxylene-15,16-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029126 4,15-Epoxy-7,11-cembradien-3-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029127 4,4'-Diisopropyl-1,1'-dimethylbicyclohexane-3,3'-dione C20H34O2 306.25588 NA MeJP NA NA +MJ029128 4,8(19)-Xeniaphylladiene-14,15-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029129 5(10)-Rosene-15,16-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029130 5,11,14-Eicosatrienoic acid C20H34O2 306.25588 NA MeJP NA NA +MJ029131 5,20-Neoverrucosanediol C20H34O2 306.25588 NA MeJP NA NA +MJ029132 5,8,11-Eicosatrienoic acid C20H34O2 306.25588 NA MeJP NA NA +MJ029133 5,9,13-Eicosatrienoic acid C20H34O2 306.25588 NA MeJP NA NA +MJ029134 5-(12-Methyltridecyl)-1,3-benzenediol C20H34O2 306.25588 NA MeJP NA NA +MJ029135 5-Rosene-15,16-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029136 5-Tetradecyl-1,3-benzenediol C20H34O2 306.25588 NA MeJP NA NA +MJ029137 5-Tridecyl-1,3-benzenediol; Mono-Me ether C20H34O2 306.25588 NA MeJP NA NA +MJ029138 6,14-Labdadiene-8,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029139 7,10,13-Eicosatrienoic acid C20H34O2 306.25588 NA MeJP NA NA +MJ029140 7,11,14-Eicosatrienoic acid C20H34O2 306.25588 NA MeJP NA NA +MJ029141 7,13-Labdadiene-15,17-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029142 7,13-Labdadiene-15,19-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029143 7,13-Labdadiene-2,15-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029144 7,13-Labdadiene-3,15-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029145 7,13-Labdadiene-6,15-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029146 7,13-Thyrsifloranediol C20H34O2 306.25588 NA MeJP NA NA +MJ029147 7,14-Labdadiene-2,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029148 7,14-Labdadiene-3,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029149 7,14-Labdadiene-9,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029150 7,16-Kauranediol C20H34O2 306.25588 NA MeJP NA NA +MJ029151 7,8-Epoxy-2-dolabellen-4-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029152 7-Abietene-14,18-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029153 7-Isopimarene-15,16-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029154 7-Labden-15-oic acid C20H34O2 306.25588 NA MeJP NA NA +MJ029155 7-Labdene-15,17-diol, 17-Aldehyde C20H34O2 306.25588 NA MeJP NA NA +MJ029156 7-Labdene-3,15-diol, 3-Ketone C20H34O2 306.25588 NA MeJP NA NA +MJ029157 8(14)-Abietene-3,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029158 8(14)-Abietene-7,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029159 8(14)-Abietene-7,18-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029160 8(14)-Isopimarene-15,16-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029161 8(17),13(16)-Labdadiene-14,15-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029162 8(17),13-Labdadien-15-ol, 13?,14?-Epoxide C20H34O2 306.25588 NA MeJP NA NA +MJ029163 8(17),13-Labdadiene-15,16-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029164 8(17),13-Labdadiene-15,18-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029165 8(17),13-Labdadiene-15,19-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029166 8(17),13-Labdadiene-2,15-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029167 8(17),13-Labdadiene-3,15-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029168 8(17),13-Labdadiene-6,15-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029169 8(17),13-Labdadiene-9,15-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029170 8(17),14-Labdadiene-13,18-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029171 8(17),14-Labdadiene-13,19-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029172 8(17),14-Labdadiene-2,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029173 8(17),14-Labdadiene-3,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029174 8(17),14-Labdadiene-5,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029175 8(17),14-Labdadiene-6,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029176 8(17),14-Labdadiene-7,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029177 8(17),14-Labdadiene-9,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029178 8(17)-Labden-15-ol, Carboxylic acid C20H34O2 306.25588 NA MeJP NA NA +MJ029179 8(17)-Labdene-15,19-diol, 19-Aldehyde C20H34O2 306.25588 NA MeJP NA NA +MJ029180 8(17)-Labdene-2,15-diol, 2-Ketone C20H34O2 306.25588 NA MeJP NA NA +MJ029181 8(17)-Labdene-3,15-diol, 15-Aldehyde C20H34O2 306.25588 NA MeJP NA NA +MJ029182 8,10,13(15)-Lobatriene-14,17,18-triol, 14-Deoxy C20H34O2 306.25588 NA MeJP NA NA +MJ029183 8,11,14-Eicosatrienoic acid C20H34O2 306.25588 NA MeJP NA NA +MJ029184 8,12-Epoxy-13-labden-1-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029185 8,12-Epoxy-13-labden-15-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029186 8,12-Epoxy-14-labden-13-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029187 8,13(16)-Labdadiene-14,15-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029188 8,13-Epoxy-14-labden-1-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029189 8,13-Epoxy-14-labden-11-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029190 8,13-Epoxy-14-labden-12-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029191 8,13-Epoxy-14-labden-16-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029192 8,13-Epoxy-14-labden-18-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029193 8,13-Epoxy-14-labden-19-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029194 8,13-Epoxy-14-labden-2-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029195 8,13-Epoxy-14-labden-3-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029196 8,13-Epoxy-14-labden-6-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029197 8,13-Epoxy-15-labdanal C20H34O2 306.25588 NA MeJP NA NA +MJ029198 8,13-Labdadiene-15,19-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029199 8,13-Labdadiene-7,15-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029200 8,14-Labdadiene-13,19-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029201 8-Abietene-14,18-diol; 14?-form C20H34O2 306.25588 NA MeJP NA NA +MJ029202 8-Abietene-7,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029203 8-Isopimarene-15,16-diol; 15?-form C20H34O2 306.25588 NA MeJP NA NA +MJ029204 8-Methyl-14-podocarpaneacetic acid C20H34O2 306.25588 NA MeJP NA NA +MJ029205 9(11),14-Labdadiene-8,13-diol C20H34O2 306.25588 NA MeJP NA NA +MJ029206 9,10-Seco-8,10(20),13-labdatriene-11,15,16-triol; 11-Deoxy C20H34O2 306.25588 NA MeJP NA NA +MJ029207 9,10-Seco-8,10(20),13-labdatriene-11,15,16-triol; 16-Deoxy C20H34O2 306.25588 NA MeJP NA NA +MJ029208 9,13-Epoxy-14-labden-19-ol C20H34O2 306.25588 NA MeJP NA NA +MJ029209 9,16-Kauranediol C20H34O2 306.25588 NA MeJP NA NA +MJ029210 Barbifusicoccin A C20H34O2 306.25588 NA MeJP NA NA +MJ029211 Barbifusicoccin B C20H34O2 306.25588 NA MeJP NA NA +MJ029212 Dictyol C C20H34O2 306.25588 NA MeJP NA NA +MJ029213 Dictyotin A C20H34O2 306.25588 NA MeJP NA NA +MJ029214 Dilophol; 11?-Hydroxy C20H34O2 306.25588 NA MeJP NA NA +MJ029215 Dilophol; 3?-Hydroxy C20H34O2 306.25588 NA MeJP NA NA +MJ029216 Maritimol C20H34O2 306.25588 NA MeJP NA NA +MJ029217 Rigidol C20H34O2 306.25588 NA MeJP NA NA +MJ029218 Siphonarienfuranone; 2-Deoxy C20H34O2 306.25588 NA MeJP NA NA +MJ029219 Solenopodin A; 6-Deacetoxy C20H34O2 306.25588 NA MeJP NA NA +MJ029220 Stemodin C20H34O2 306.25588 NA MeJP NA NA +MJ029221 Trixagodiol A C20H34O2 306.25588 NA MeJP NA NA +MJ029222 Trixagodiol C C20H34O2 306.25588 NA MeJP NA NA +MJ029223 Trixagol; 9,10-Epoxide C20H34O2 306.25588 NA MeJP NA NA +MJ029224 Verticillanediol C20H34O2 306.25588 NA MeJP NA NA +HMDB02925 8,11,14-Eicosatrienoic acid C20H34O2 306.25589 http://www.hmdb.ca/metabolites/HMDB02925 HMDB NA NA +HMDB02925 8,11,14-Eicosatrienoic acid C20H34O2 306.25589 HMDB02925 PFEM_hmdb_metabocards_official NA NA +HMDB02925 8,11,14-Eicosatrienoic acid C20H34O2 306.25589 NA HMDB2010 NA NA +HMDB10378 5,8,11-Eicosatrienoic acid C20H34O2 306.25589 NA HMDB2010 NA NA +C03242 (8Z,11Z,14Z)-Icosatrienoic acid C20H34O2 306.2559 NA KEGG NA NA +C09072 2,7,11-Cembratrien-4,6-diol C20H34O2 306.2559 NA KEGG NA NA +C14882 2alpha-Methyl-5alpha-androstane-3alpha,17beta-diol C20H34O2 306.2559 NA KEGG NA NA +C15058 2alpha-Methyl-5alpha-androstane-3beta,17beta-diol C20H34O2 306.2559 NA KEGG NA NA +C15376 17alpha-Methyl-5alpha-androstane-3alpha,17beta-diol C20H34O2 306.2559 NA KEGG NA NA +C15399 17-Methyl-5alpha-androstane-11beta,17beta-diol C20H34O2 306.2559 NA KEGG NA NA +C16522 Icosatrienoic acid C20H34O2 306.2559 NA KEGG NA NA +MJ029225 Cribochaline A C19H34N2O 306.267113 NA MeJP NA NA +MJ029226 Hachijodines; Hachijodine B C19H34N2O 306.267113 NA MeJP NA NA +MJ029227 Hachijodines; Hachijodine C C19H34N2O 306.267113 NA MeJP NA NA +MJ029228 Hachijodines; Hachijodine D C19H34N2O 306.267113 NA MeJP NA NA +MJ029229 Hachijodines; Hachijodine E C19H34N2O 306.267113 NA MeJP NA NA +MJ029230 Phlegmarine; Nb-Me, Na-Ac C19H34N2O 306.267113 NA MeJP NA NA +MJ029231 Theonelladine C; N-Methoxy C19H34N2O 306.267113 NA MeJP NA NA +MJ029232 1,6-Heneicosadien-11-one C21H38O 306.292265 NA MeJP NA NA +MJ029233 16-Methyl-3-eicosen-1-yn-5-ol C21H38O 306.292265 NA MeJP NA NA +MJ029234 16-Methyl-4-eicosen-1-yn-3-ol C21H38O 306.292265 NA MeJP NA NA +MJ029235 19-Methyl-4-eicosen-1-yn-3-ol C21H38O 306.292265 NA MeJP NA NA +MJ029236 2-(1,4-Decadienyl)-3-nonyloxirane C21H38O 306.292265 NA MeJP NA NA +MJ029237 2-(2,5-Octadienyl)-3-undecyloxirane C21H38O 306.292265 NA MeJP NA NA +MJ029238 2-(2-Pentenyl)-3-(2-tetradecenyl)oxirane C21H38O 306.292265 NA MeJP NA NA +MJ029239 2-Heptadecylfuran C21H38O 306.292265 NA MeJP NA NA +MJ029240 4-Heneicosen-1-yn-3-ol C21H38O 306.292265 NA MeJP NA NA +MJ029241 2,7-Dibromo-3-chloro-1H-indole C8H4Br2ClN 306.839902 NA MeJP NA NA +MJ029242 (3,5-Dibromo-4-hydroxyphenyl)acetic acid; Amide C8H7Br2NO2 306.884353 NA MeJP NA NA +MJ029243 4,5-Dibromo-1H-pyrrole-2-carboxylic acid; N-2-Propenyl C8H7Br2NO2 306.884353 NA MeJP NA NA +MJ029244 2-(2,4-Dibromo-5-methoxyphenyl)ethanamine C9H11Br2NO 306.920739 NA MeJP NA NA +MJ029245 2-(3,5-Dibromo-4-hydroxyphenyl)ethylamine; Me ether C9H11Br2NO 306.920739 NA MeJP NA NA +C02515 3-Iodo-L-tyrosine C9H10INO3 306.9705 NA KEGG NA NA +MJ029246 3-Iodo-L-tyrosine C9H10INO3 306.970536 NA MeJP NA NA +MJ029247 2-Amino-3-(3-iodo-4-hydroxyphenyl)propanoic acid C9H10INO3 306.970536 NA MeJP NA NA +MetaCyc02741 monoiodo-L-tyrosine [monoiodo-tyrosine;iodotyrosine;] C9H10N1O3I1 306.970536 NA metacyc NA NA +HMDB00021 Iodotyrosine C9H10INO3 306.97055 http://www.hmdb.ca/metabolites/HMDB00021 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00021 Iodotyrosine C9H10INO3 306.97055 http://www.hmdb.ca/metabolites/HMDB00021 HMDB NA NA +HMDB00021 Iodotyrosine C9H10INO3 306.97055 NA ;SYN:(2S)-2-acetamidobutanedioic acid; (S)-2-(acetylamino)butanedioic acid; (S)-2-(acetylamino)succinic acid; Acetyl-l-aspartate; Acetyl-l-aspartic acid; Acetylaspartate; Acetylaspartic acid; L-n-acetylaspartate; L-n-acetylaspartic acid; N-acetyl-l-aspartate; N-acetyl-l-aspartic acid; N-acetyl-s-aspartate; N-acetyl-s-aspartic acid; N-acetylaspartate; N-acetylaspartic acid; NAA; (2S)-2-acetamidobutanedioate; (S)-2-(acetylamino)butanedioateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00021 Iodotyrosine C9H10INO3 306.97055 http://www.hmdb.ca/metabolites/HMDB00021 PFEM_hmdb_metabocards_blood NA blood +HMDB00021 Iodotyrosine C9H10INO3 306.97055 HMDB00021 PFEM_hmdb_metabocards_official NA NA +HMDB00021 Iodotyrosine C9H10INO3 306.970551 NA HMDB2010 NA NA +MJ029248 Dichlormezanone C11H11Cl2NO3S 306.983669 NA MeJP NA NA +MJ029249 2,6-Dihydroxybenzoic acid; p-Bromoanilide C13H10BrNO3 306.984405 NA MeJP NA NA +MJ029250 Igzamide C12H10BrN3O2 306.995639 NA MeJP NA NA +MJ029251 Odiline; 2-Debromo C11H10BrN5O 307.006872 NA MeJP NA NA +MJ029252 Nitazoxanide C12H9N3O5S 307.026291 NA MeJP NA NA +MJ029253 Tris(3-oxobutanonato-O,O')chromium(III) C12H15CrO6 307.027375 NA MeJP NA NA +MJ029254 3-(3-Nitrobenzyl)-2,4,5-trioxo-1-imidazolidineacetic acid C12H9N3O7 307.044049 NA MeJP NA NA +C14971 N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)-2,2,2-trifluoroacetamide C15H8F3NO3 307.0456 NA KEGG NA NA +C15394 2,2,2-Trifluoro-N-(6-oxo-6H-dibenzo[b,d]pyran-2-yl)acetamide C15H8F3NO3 307.0456 NA KEGG NA NA +MJ029255 Oxocompostelline; O-De-Me C17H9NO5 307.048072 NA MeJP NA NA +MJ029256 Tuberosinone C17H9NO5 307.048072 NA MeJP NA NA +C13310 Faropenem sodium C12H14NO5S 307.049 NA KEGG NA NA +C00239 dCMP C9H14N3O7P 307.0569 NA KEGG NA NA +C00240 rRNA C15H25O16P2R3 307.0569 NA KEGG NA NA +C00241 Amide CH2NOR 307.0569 NA KEGG NA NA +MJ029257 dCMP C9H14N3O7P 307.056936 NA MeJP NA NA +MetaCyc02742 dCMP [2'-deoxycytidine 5'-monophosphate;dCMP;deoxycytidylate;deoxycytidylic acid;deoxycytidine monophosphate;2'-deoxycytidine-5'-phosphate;deoxycytidine-phosphate;] C9H14N3O7P1 307.056936 1032-65-1 metacyc NA NA +HMDB01202 dCMP C9H14N3O7P 307.056946 NA HMDB2010 NA NA +HMDB01202 dCMP C9H14N3O7P 307.05695 http://www.hmdb.ca/metabolites/HMDB01202 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01202 dCMP C9H14N3O7P 307.05695 http://www.hmdb.ca/metabolites/HMDB01202 HMDB NA NA +HMDB01202 dCMP C9H14N3O7P 307.05695 http://www.hmdb.ca/metabolites/HMDB01202 PFEM_hmdb_metabocards_blood NA blood +HMDB01202 dCMP C9H14N3O7P 307.05695 HMDB01202 PFEM_hmdb_metabocards_official NA NA +C08533 Narciclasine C14H13NO7 307.0692 NA KEGG NA NA +MJ029258 Narciclasine C14H13NO7 307.069201 NA MeJP NA NA +EUR303 glutathione oxidized F5 F5 307.080175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR303 Gluthation oxyde F5 NA 307.080175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR303 glutathione oxidized F5 F5 307.080175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR303 Gluthation oxyde F5 NA 307.080175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR303 glutathione oxidized F5 F5 307.080175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR303 Gluthation oxyde F5 NA 307.080175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR303 glutathione oxidized F5 F5 307.080175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR303 glutathione oxidized F5 F5 307.080175 standards wishlist analysés sur QTOF HMDB NA NA +EUR303 glutathione oxidized F5 F5 307.080175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR303 Gluthation oxyde F5 NA 307.080175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR303 glutathione oxidized F5 F5 307.080175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR303 glutathione oxidized F5 F5 307.080175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB00125 Glutathione C10H17N3O6S 307.0838 http://www.hmdb.ca/metabolites/HMDB00125 PFEM_hmdb_metabocards_urine NA urine +LABER034 Glutathione NA 307.0838 RT 2.6 fragt PFEM_hmdb_metabocards_urine NA urine +EUR074 Glutathione C10H17N3O6S 307.0838 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER034 Glutathione NA 307.0838 RT 2.6 fragt BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00125 Glutathione C10H17N3O6S 307.0838 http://www.hmdb.ca/metabolites/HMDB00125 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR074 Glutathione C10H17N3O6S 307.0838 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER034 Glutathione NA 307.0838 RT 2.6 fragt Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00125 Glutathione C10H17N3O6S 307.0838 http://www.hmdb.ca/metabolites/HMDB00125 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR074 Glutathione C10H17N3O6S 307.0838 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER034 Glutathione NA 307.0838 RT 2.6 fragt banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00125 Glutathione C10H17N3O6S 307.0838 http://www.hmdb.ca/metabolites/HMDB00125 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00125 Glutathione C10H17N3O6S 307.0838 http://www.hmdb.ca/metabolites/HMDB00125 HMDB NA NA +LABER034 Glutathione NA 307.0838 RT 2.6 fragt HMDB NA NA +LABER034 Glutathione NA 307.0838 RT 2.6 fragt Inhouse_PFEM NA NA +EUR074 Glutathione C10H17N3O6S 307.0838 Wishlist Inhousejuil11 NA NA +LABER034 Glutathione NA 307.0838 RT 2.6 fragt Inhousejuil11 NA NA +C00051 Glutathione C10H17N3O6S 307.0838 NA KEGG NA NA +PJ000240 GCE C10H17N3O6S 307.0838 NA PeJP NA NA +HMDB00125 Glutathione C10H17N3O6S 307.0838 http://www.hmdb.ca/metabolites/HMDB00125 PFEM_hmdb_metabocards_blood NA blood +LABER034 Glutathione NA 307.0838 RT 2.6 fragt PFEM_hmdb_metabocards_blood NA blood +LABER034 Glutathione NA 307.0838 RT 2.6 fragt PFEM_hmdb_metabocards_official NA NA +HMDB00125 Glutathione C10H17N3O6S 307.0838 HMDB00125 PFEM_hmdb_metabocards_official NA NA +HMDB00125 Glutathione C10H17N3O6S 307.0838 NA ;SYN:(2S)-2-amino-5-(carbamoylamino)pentanoic acid; (S)-2-Amino-5-ureidopentanoate; (S)-2-Amino-5-ureidopentanoic acid; (S)-2-amino-5-(aminocarbonyl)aminopentanoic acid; 2-Amino-5-uredovalerate; 2-Amino-5-uredovaleric acid; 2-Amino-5-ureidovalerate; 2-Amino-5-ureidovaleric acid; A-amino-d-ureidovalerate; A-amino-d-ureidovaleric acid; Alpha-amino-delta-ureidovalerate; Alpha-amino-delta-ureidovaleric acid; Alpha-amino-gamma-ureidovalerate; Alpha-amino-gamma-ureidovaleric acid; Amino-ureidovalerate; Amino-ureidovaleric acid; CIR; CIT; Cytrulline; D-ureidonorvaline; DL-citrulline; Delta-ureidonorvaline; Gammaureidonorvaline; H-cit-oh; L(+)-2-Amino-5-ureidovalerate; L(+)-2-Amino-5-ureidovaleric acid; L(+)-citrulline; L-2-Amino-5-ureido-valerate; L-2-Amino-5-ureido-valeric acid; L-2-Amino-5-ureidovalerate; L-2-Amino-5-ureidovaleric acid; L-N5-carbamoyl-Ornithine; L-citrulline; L-cytrulline; N()-carbamylornithine; N(5)-(aminocarbonyl)-DL-Ornithine; N(delta)-carbamylornithine; N-carbamylornithine; N5-(Aminocarbonyl)-L-ornithine; N5-(Aminocarbonyl)ornithine; N5-(aminocarbonyl)-Ornithine; N5-Carbamoyl-L-ornithine; N5-carbamoylornithine; N5-carbamylornithine; N<SUP>5</SUP>-(aminocarbonyl)ornithine; ND-carbamylornithine; Ndelta-carbamy-ornithine; Ndelta-carbamylornithine; Ngamma-carbamylornithine; Sitrulline; Ureidonorvaline; Ureidovalerate; Ureidovaleric acid; (2S)-2-amino-5-(carbamoylamino)pentanoate; (S)-2-amino-5-(aminocarbonyl)aminopentanoateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00125 Glutathione C10H17N3O6S 307.083801 NA HMDB2010 NA NA +MJ029259 Glutathione C10H17N3O6S 307.083805 NA MeJP NA NA +MetaCyc02743 glutathione [γ-L-glutamyl-L-cysteinyl-glycine;glutathione red;GSH;reduced glutathione;] C10H17N3O6S1 307.083806 70-18-8 metacyc NA NA +EUR074 Glutathione C10H17N3O6S 307.083809 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR074 Glutathione C10H17N3O6S 307.083809 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR074 Glutathione C10H17N3O6S 307.083809 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR074 Glutathione C10H17N3O6S 307.083809 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR074 Glutathione C10H17N3O6S 307.083809 Wishlist HMDB NA NA +EUR074 Glutathione C10H17N3O6S 307.083809 Wishlist Inhouse_PFEM NA NA +EUR074 Glutathione C10H17N3O6S 307.083809 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR074 Glutathione C10H17N3O6S 307.083809 Wishlist PFEM_hmdb_metabocards_official NA NA +MJ029260 1,2-Methylenedioxy-6a,7-dehydroaporphine-10,11-quinone C18H13NO4 307.084457 NA MeJP NA NA +MJ029261 1-(4-Methoxybenzoyl)-6,7-methylenedioxyisoquinoline C18H13NO4 307.084457 NA MeJP NA NA +MJ029262 Artabonatine A C18H13NO4 307.084457 NA MeJP NA NA +MJ029263 Cepharadione B; N-De-Me C18H13NO4 307.084457 NA MeJP NA NA +MJ029264 Cepharadione B; O2-De-Me C18H13NO4 307.084457 NA MeJP NA NA +MJ029265 Hallacridone C18H13NO4 307.084457 NA MeJP NA NA +MJ029266 Menisporphine; 9-O-De-Me C18H13NO4 307.084457 NA MeJP NA NA +MJ029267 Mollinedine C18H13NO4 307.084457 NA MeJP NA NA +MJ029268 Moschatoline C18H13NO4 307.084457 NA MeJP NA NA +MJ029269 Pareirubrine A; O4,O11-Bisdemethoxy C18H13NO4 307.084457 NA MeJP NA NA +MJ029270 Peruvianine C18H13NO4 307.084457 NA MeJP NA NA +MJ029271 Pulvinic acid; Amide C18H13NO4 307.084457 NA MeJP NA NA +C12392 Stealthin C C18H13NO4 307.0845 NA KEGG NA NA +C12089 NAC-Diketide C15H17NO4S 307.0878 NA KEGG NA NA +C14796 (1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene C15H17NO4S 307.0878 NA KEGG NA NA +C14797 (1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-1,2-dihydronaphthalene C15H17NO4S 307.0878 NA KEGG NA NA +C14798 (1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene C15H17NO4S 307.0878 NA KEGG NA NA +HMDB01177 (S)-Succinyldihydrolipoamide C12H21NO4S2 307.091187 NA HMDB2010 NA NA +HMDB01177 S-Succinyldihydrolipoamide C12H21NO4S2 307.09119 http://www.hmdb.ca/metabolites/HMDB01177 HMDB NA NA +HMDB01177 S-Succinyldihydrolipoamide C12H21NO4S2 307.09119 HMDB01177 PFEM_hmdb_metabocards_official NA NA +MJ029272 S-Succinyldihydrolipoamide C12H21NO4S2 307.091199 NA MeJP NA NA +C01169 S-Succinyldihydrolipoamide C12H21NO4S2 307.0912 NA KEGG NA NA +MetaCyc02744 S-succinyl-dihydrolipoamide [] C12H21N1O4S2 307.0912 NA metacyc NA NA +MJ029273 Cadeguomycin; Nitrile C12H13N5O5 307.091668 NA MeJP NA NA +MJ029274 Nifurizone C12H13N5O5 307.091668 NA MeJP NA NA +MJ029275 Circumdatin C C17H13N3O3 307.095691 NA MeJP NA NA +PJ000241 CW C14H17N3O3S 307.0991 NA PeJP NA NA +MJ029276 Aspergillomarasmine A C10H17N3O8 307.101564 NA MeJP NA NA +PJ000242 SSD C10H17N3O8 307.1016 NA PeJP NA NA +MJ029277 Tolnaftate C19H17NOS 307.103084 NA MeJP NA NA +HMDB05005 Tolnaftate C19H17NOS 307.103088 NA HMDB2010 NA NA +HMDB05005 Tolnaftate C19H17NOS 307.10309 http://www.hmdb.ca/metabolites/HMDB05005 HMDB NA NA +HMDB05005 Tolnaftate C19H17NOS 307.10309 HMDB05005 PFEM_hmdb_metabocards_official NA NA +MJ029278 1H-Indole-3-carboxylic acid; ?-L-Rhamnopyranosyl ester C15H17NO6 307.105587 NA MeJP NA NA +MJ029279 Sulfasymazine C13H17N5O2S 307.110295 NA MeJP NA NA +PFEM044F1 Glutathione F1 307.1121 NA Inhouse_original NA NA +PJ000243 GTM C11H21N3O5S 307.1202 NA PeJP NA NA +C10655 Cusparine C19H17NO3 307.1208 NA KEGG NA NA +C10738 Rutacridone C19H17NO3 307.1208 NA KEGG NA NA +C15195 LY 294002 C19H17NO3 307.1208 NA KEGG NA NA +MJ029280 Acronycine; N-De-Me C19H17NO3 307.120843 NA MeJP NA NA +MJ029281 Anolobine, 6a,7-Didehydro, Me ether, N-Me C19H17NO3 307.120843 NA MeJP NA NA +MJ029282 Anonaine, N-Ac C19H17NO3 307.120843 NA MeJP NA NA +MJ029283 Belemine C19H17NO3 307.120843 NA MeJP NA NA +MJ029284 Clausamine B C19H17NO3 307.120843 NA MeJP NA NA +MJ029285 Constrictosine; Di-Me ether C19H17NO3 307.120843 NA MeJP NA NA +MJ029286 Cusparine C19H17NO3 307.120843 NA MeJP NA NA +MJ029287 De-N-methylnoracronycine; Me ether C19H17NO3 307.120843 NA MeJP NA NA +MJ029288 Dehydronuciferine; N-De-Me, N-Formyl C19H17NO3 307.120843 NA MeJP NA NA +MJ029289 Duguespixine C19H17NO3 307.120843 NA MeJP NA NA +MJ029290 Guadiscidine C19H17NO3 307.120843 NA MeJP NA NA +MJ029291 Murrayacine; 7-Methoxy C19H17NO3 307.120843 NA MeJP NA NA +MJ029292 Noracronycine C19H17NO3 307.120843 NA MeJP NA NA +MJ029293 Rutacridone C19H17NO3 307.120843 NA MeJP NA NA +MJ029294 Stephalagine; 6a,7-Didehydro C19H17NO3 307.120843 NA MeJP NA NA +MJ029295 Stephanine, 6a,7-Didehydro C19H17NO3 307.120843 NA MeJP NA NA +MJ029296 Teomorfolin C13H17N5O4 307.128054 NA MeJP NA NA +MJ029297 Antibiotic A 53868A C11H22N3O5P 307.129707 NA MeJP NA NA +MJ029298 5,6-Bis(4-methoxyphenyl)-3-methyl-1,2,4-triazine C18H17N3O2 307.132076 NA MeJP NA NA +MJ029299 Pirodomast C18H17N3O2 307.132076 NA MeJP NA NA +PJ000244 STT C11H21N3O7 307.138 NA PeJP NA NA +MJ029300 Antibiotic NK 374200 C12H17N7O3 307.139287 NA MeJP NA NA +MJ029301 3-[(4-Formylphenyl)amino]-4,7-dihydroxy-5-octenoic acid; Me ester C16H21NO5 307.141972 NA MeJP NA NA +MJ029302 5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4H-1-benzopyran-4-one C16H21NO5 307.141972 NA MeJP NA NA +MJ029303 Convolvine; N-Hydroxy C16H21NO5 307.141972 NA MeJP NA NA +MJ029304 Foliosidine C16H21NO5 307.141972 NA MeJP NA NA +MJ029305 Haplosamine C16H21NO5 307.141972 NA MeJP NA NA +MJ029306 N-(2-Carboxy-3-phenylpropanoyl)leucine C16H21NO5 307.141972 NA MeJP NA NA +C10855 Convoline C16H21NO5 307.142 NA KEGG NA NA +MJ029307 Cletoquine C16H22ClN3O 307.14514 NA MeJP NA NA +MJ029308 Zetidoline C16H22ClN3O 307.14514 NA MeJP NA NA +MetaCyc02745 fructoselysine [] C12H23N2O7 307.150526 NA metacyc NA NA +PJ000245 AAF C15H21N3O4 307.1532 NA PeJP NA NA +MJ029309 1-Benzyl-3-ethyl-6,7-dimethoxyisoquinoline C20H21NO2 307.157228 NA MeJP NA NA +3587 NA WWPK~ 307.16 MH2+ Inhouse_peptide NA peptide +HMDB05023 Zolpidem C19H21N3O 307.168457 NA HMDB2010 NA NA +HMDB05023 Zolpidem C19H21N3O 307.16846 http://www.hmdb.ca/metabolites/HMDB05023 HMDB NA NA +HMDB05023 Zolpidem C19H21N3O 307.16846 HMDB05023 PFEM_hmdb_metabocards_official NA NA +MJ029310 N-(2-Methylaminobenzoyl)tryptamine; Nb-Me C19H21N3O 307.168462 NA MeJP NA NA +MJ029311 Talastine C19H21N3O 307.168462 NA MeJP NA NA +MJ029312 Zolpidem C19H21N3O 307.168462 NA MeJP NA NA +C07219 Zolpidem C19H21N3O 307.1685 NA KEGG NA NA +3516 ACE inhibitor IRAQQ 307.169 MH2+ Inhouse_peptide NA peptide +MJ029313 4-O-(6-Amino-6-deoxyglucopyranosyl)-2,5-dideoxystreptamine C12H25N3O6 307.174335 NA MeJP NA NA +MJ029314 9-Methylstreptimidone C17H25NO4 307.178358 NA MeJP NA NA +MJ029315 Anisomycin, O-De-Ac, 3-(3-methylbutanoyl) C17H25NO4 307.178358 NA MeJP NA NA +MJ029316 Antibiotic S 632C C17H25NO4 307.178358 NA MeJP NA NA +MJ029317 Buflomedil C17H25NO4 307.178358 NA MeJP NA NA +MJ029318 Coronafacic acid, L-Valine amide C17H25NO4 307.178358 NA MeJP NA NA +MJ029319 Dendroxine; 4-Hydroxy C17H25NO4 307.178358 NA MeJP NA NA +MJ029320 Dendroxine; 6-Hydroxy C17H25NO4 307.178358 NA MeJP NA NA +MJ029321 Ibopamine C17H25NO4 307.178358 NA MeJP NA NA +MJ029322 Parthenolidine; N-Ac C17H25NO4 307.178358 NA MeJP NA NA +MJ029323 Parvistemoline C17H25NO4 307.178358 NA MeJP NA NA +MJ029324 Stemonine C17H25NO4 307.178358 NA MeJP NA NA +MJ029325 Trocimine C17H25NO4 307.178358 NA MeJP NA NA +MJ029326 6-Methyl-8-(1H-1,2,4-triazol-1-ylmethyl)ergoline C18H21N5 307.179695 NA MeJP NA NA +MJ029327 8-Methyl-6-(4-methyl-1-piperazinyl)-1H-pyrido[2,3-b][1,4]benzodiazepine C18H21N5 307.179695 NA MeJP NA NA +MJ029328 4-Coumaroylspermidine; 3'-Hydroxy C16H25N3O3 307.189591 NA MeJP NA NA +MJ029329 Amphikuemin C16H26N3O3(+) 307.189591 NA MeJP NA NA +C06846 Benztropine C21H25NO 307.1936 NA KEGG NA NA +MJ029330 Benzatropine C21H25NO 307.193614 NA MeJP NA NA +MJ029331 Hepzidine C21H25NO 307.193614 NA MeJP NA NA +MJ029332 Nitrarine C20H25N3 307.204847 NA MeJP NA NA +C06849 Betaxolol C18H29NO3 307.2147 NA KEGG NA NA +C11760 Amprotropine C18H29NO3 307.2147 NA KEGG NA NA +C16952 Dihydrocapsaicin C18H29NO3 307.2147 NA KEGG NA NA +MJ029333 2-Amino-5-hydroxybenzoic acid; 9-Methyldecyl ester C18H29NO3 307.214743 NA MeJP NA NA +MJ029334 Amprotropine C18H29NO3 307.214743 NA MeJP NA NA +MJ029335 Betaxolol C18H29NO3 307.214743 NA MeJP NA NA +MJ029336 Butamirate C18H29NO3 307.214743 NA MeJP NA NA +MJ029337 Capsaicin; Dihydro C18H29NO3 307.214743 NA MeJP NA NA +MJ029338 Fawcettiine C18H29NO3 307.214743 NA MeJP NA NA +MJ029339 Lelobanidine, Hydroxy C18H29NO3 307.214743 NA MeJP NA NA +MJ029340 Lycoclavine C18H29NO3 307.214743 NA MeJP NA NA +MJ029341 Neovasipyridone; N-Et C18H29NO3 307.214743 NA MeJP NA NA +MJ029342 Paniculine C18H29NO3 307.214743 NA MeJP NA NA +MJ029343 Viriditin C18H29NO3 307.214743 NA MeJP NA NA +MJ029344 Albizzine A C17H29N3O2 307.225977 NA MeJP NA NA +MJ029345 Amoxecaine C17H29N3O2 307.225977 NA MeJP NA NA +MJ029346 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol C19H33NO2 307.251129 NA MeJP NA NA +MJ029347 4-Hydroxy-3-methyl-2-butenoic acid, O-Tetradecanoyl, nitrile C19H33NO2 307.251129 NA MeJP NA NA +MJ029348 Cylindricine C C19H33NO2 307.251129 NA MeJP NA NA +MJ029349 Dysidazirine C19H33NO2 307.251129 NA MeJP NA NA +MJ029350 Pumiliotoxin 307B C19H33NO2 307.251129 NA MeJP NA NA +MJ029351 Pumiliotoxin A C19H33NO2 307.251129 NA MeJP NA NA +MJ029352 Verticilline C19H33NO2 307.251129 NA MeJP NA NA +MJ029353 2,4-Hexadecadienoic acid, 2-Methylpropylamide C20H37NO 307.287514 NA MeJP NA NA +MJ029354 Pyrrolidine; N-(2-Hexadecenoyl)(E-) C20H37NO 307.287514 NA MeJP NA NA +3320 NA HHPLL 307.668 MH2+ Inhouse_peptide NA peptide +3772 peptide from soybean b-conglycinin (Glycine max) LLPHH 307.668 MH2+ Inhouse_peptide NA peptide +7070 b-Lg fragment (10-14) LDIQK 307.67345 MH2+ Inhouse_peptide NA peptide +3060 laminin SIKVAV 307.6915 MH2+ Inhouse_peptide NA peptide +3651 NA SIKVAV 307.6915 MH2+ Inhouse_peptide NA peptide +MJ029355 1,2-Dibromo-1,1,2,3,3,3-hexafluoropropane C3Br2F6 307.827094 NA MeJP NA NA +MJ029356 (3,5-Dibromo-4-hydroxyphenyl)acetic acid C8H6Br2O3 307.868369 NA MeJP NA NA +MJ029357 2,6-Dibromo-1,4-benzenediol; 4-Ac C8H6Br2O3 307.868369 NA MeJP NA NA +MJ029358 3,5-Dibromo-2-hydroxybenzoic acid; Me ether C8H6Br2O3 307.868369 NA MeJP NA NA +MJ029359 4-Bromo-5-(bromomethylene)-3-butyl-2(5H)-furanone C9H10Br2O2 307.904754 NA MeJP NA NA +MJ029360 1,6-Dibromo-1,3(8)-ochtodien-4-ol C10H14Br2O 307.94114 NA MeJP NA NA +MJ029361 Chondrocole C C10H14Br2O 307.94114 NA MeJP NA NA +MJ029362 Lachnumol A; 1'-Bromo analogue, 1-ketone C10H10BrClO4 307.945099 NA MeJP NA NA +MJ029363 Chloralose C8H11Cl3O6 307.962121 NA MeJP NA NA +MJ029364 5-(1-Acetoxy-2-chloro-1-buten-3-ynyl)-2,2'-bithiophene C14H9ClO2S2 307.973248 NA MeJP NA NA +MJ029365 Selenazofurin C9H12N2O5Se 307.991143 NA MeJP NA NA +C01143 (R)-5-Diphosphomevalonate C6H14O10P2 308.0062 NA KEGG NA NA +MJ029366 3,5-Dihydroxy-3-methylpentanoic acid, 5-Diphosphate C6H14O10P2 308.006219 NA MeJP NA NA +MJ029367 (R)-5-Diphosphomevalonate C6H14O10P2 308.006219 NA MeJP NA NA +MetaCyc02746 mevalonate-bisphosphate [D-ribulose-1,5-diphosphate;mevalonate-DP;mevalonate-35-dp;3,5-diphosphomevalonate;] C6H14O10P2 308.00622 NA metacyc NA NA +MetaCyc02747 mevalonate-5-PP [mevalonate-diphosphate;(R)-5-Diphosphomevalonate;] C6H14O10P2 308.00622 4872-34-8 metacyc NA NA +HMDB01090 5-Diphosphomevalonic acid C6H14O10P2 308.006226 NA HMDB2010 NA NA +HMDB01981 (R)-Mevalonic acid-5-pyrophosphate C6H14O10P2 308.006226 NA HMDB2010 NA NA +HMDB01090 5-Diphosphomevalonic acid C6H14O10P2 308.00623 http://www.hmdb.ca/metabolites/HMDB01090 HMDB NA NA +HMDB01981 R-Mevalonic acid-5-Pyrophosphate C6H14O10P2 308.00623 http://www.hmdb.ca/metabolites/HMDB01981 HMDB NA NA +HMDB01090 5-Diphosphomevalonic acid C6H14O10P2 308.00623 HMDB01090 PFEM_hmdb_metabocards_official NA NA +HMDB01981 R-Mevalonic acid-5-Pyrophosphate C6H14O10P2 308.00623 HMDB01981 PFEM_hmdb_metabocards_official NA NA +MJ029368 1,1,1-Trichloro-4-hydroxy-11-methyl-3,5,7,9-dodecatetraen-2-one C13H15Cl3O2 308.013762 NA MeJP NA NA +C14510 Fensulfothion C11H17O4PS2 308.0306 NA KEGG NA NA +MJ029369 5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid C14H12O6S 308.035458 NA MeJP NA NA +C14250 p,p'-Methoxychlor olefin C16H14Cl2O2 308.0371 NA KEGG NA NA +HMDB01409 dUMP C9H13N2O8P 308.04095 http://www.hmdb.ca/metabolites/HMDB01409 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01409 dUMP C9H13N2O8P 308.04095 http://www.hmdb.ca/metabolites/HMDB01409 HMDB NA NA +HMDB01409 dUMP C9H13N2O8P 308.04095 http://www.hmdb.ca/metabolites/HMDB01409 PFEM_hmdb_metabocards_blood NA blood +HMDB01409 dUMP C9H13N2O8P 308.04095 HMDB01409 PFEM_hmdb_metabocards_official NA NA +MJ029370 dUMP C9H13N2O8P 308.040951 NA MeJP NA NA +MetaCyc02748 dUMP [U;deoxyurdine-phosphate;2'-deoxyuridine-5-monophosphate;deoxyuridine-phosphate;2'-deoxyuridine-5'-phosphate;2'-deoxyuridylic acid;2'-deoxy-5'-uridylic acid;] C9H13N2O8P1 308.040952 964-26-1 metacyc NA NA +HMDB01409 dUMP C9H13N2O8P 308.040955 NA HMDB2010 NA NA +C00365 dUMP C9H13N2O8P 308.041 NA KEGG NA NA +MJ029371 Aplysin; 13-Oxo C15H17BrO2 308.041192 NA MeJP NA NA +MJ029372 Caraibical C15H17BrO2 308.041192 NA MeJP NA NA +CJneg0511 dUMP [(M-H)]- C9H12N2O8P 308.041525 C18rt(min)=1.07 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0511 dUMP [(M-H)]- C9H12N2O8P 308.041525 C18rt(min)=1.07 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ029373 4-Sulfanilamidosalicylic acid C13H12N2O5S 308.046692 NA MeJP NA NA +MJ029374 Nimesulide C13H12N2O5S 308.046692 NA MeJP NA NA +MJ029375 6,7-Dihydroxy-3-(1-hydroxy-3-oxobutyl)-4-oxo-4H-1-benzopyran-5-carboxylic acid C14H12O8 308.053217 NA MeJP NA NA +MJ029376 Fulvic acid C14H12O8 308.053217 NA MeJP NA NA +MJ029377 Polivione C14H12O8 308.053217 NA MeJP NA NA +C11276 Nimustine hydrochloride C9H13ClN6O2 308.0555 NA KEGG NA NA +FL2F1CNF0001 3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone C18H12O5 308.06847 329014-33-7 knapsack NA NA +FLID1CNF0001 Neodulin;Edulin C18H12O5 308.06847 13401-64-4 knapsack NA NA +MJ029378 Antibiotic PF 1093 C18H12O5 308.068473 NA MeJP NA NA +MJ029379 Ascocorynin C18H12O5 308.068473 NA MeJP NA NA +MJ029380 Isopongaglabol; 6-Methoxy C18H12O5 308.068473 NA MeJP NA NA +MJ029381 Ligustrone A C18H12O5 308.068473 NA MeJP NA NA +MJ029382 Milletenin B; Demethoxy C18H12O5 308.068473 NA MeJP NA NA +MJ029383 Neoduleen; 6aR,12aR-Dihydro C18H12O5 308.068473 NA MeJP NA NA +MJ029384 Pulvinic acid C18H12O5 308.068473 NA MeJP NA NA +MJ029385 Pinazepam C18H13ClN2O 308.07164 NA MeJP NA NA +HMDB03761 1,2-Diacyl-3-beta-D-galactosyl-sn-glycerol C11H16O10 308.07434 http://www.hmdb.ca/metabolites/HMDB03761 HMDB NA NA +HMDB06861 3-D-Glucosyl-1,2-diacylglycerol C11H16O10 308.07434 http://www.hmdb.ca/metabolites/HMDB06861 HMDB NA NA +HMDB03761 1,2-Diacyl-3-beta-D-galactosyl-sn-glycerol C11H16O10 308.07434 HMDB03761 PFEM_hmdb_metabocards_official NA NA +HMDB06861 3-D-Glucosyl-1,2-diacylglycerol C11H16O10 308.07434 HMDB06861 PFEM_hmdb_metabocards_official NA NA +MJ029386 L-xylo-Hexulonolactone C11H16O10 308.074346 NA MeJP NA NA +MJ029387 3,4-Dihydroxy-5-(hydroxymethyl)-2(5H)-furanone, 1'-O-?-D-Galactopyranoside C11H16O10 308.074346 NA MeJP NA NA +MJ029388 3,4-Dihydroxy-5-(hydroxymethyl)-2(5H)-furanone, 1'-O-?-D-Glucopyranoside C11H16O10 308.074346 NA MeJP NA NA +MJ029389 Flazin C17H12N2O4 308.079706 NA MeJP NA NA +MJ029390 Imbiline 1; 11-Hydroxy C17H12N2O4 308.079706 NA MeJP NA NA +MJ029391 Alprazolam C17H13ClN4 308.082874 NA MeJP NA NA +MJ029392 Liarozole C17H13ClN4 308.082874 NA MeJP NA NA +C06817 Alprazolam C17H13ClN4 308.0829 NA KEGG NA NA +MJ029393 1-[(2-Hydroxyethoxy)methyl]-6-(phenylthio)thymine C14H16N2O4S 308.083077 NA MeJP NA NA +C17934 Clobenpropit C14H17ClN4S 308.0862 NA KEGG NA NA +MJ029394 Clobenpropit C14H17ClN4S 308.086244 NA MeJP NA NA +C09766 Allamandin C15H16O7 308.0896 NA KEGG NA NA +MJ029395 1,2-Secodihydromicromelin C15H16O7 308.089602 NA MeJP NA NA +MJ029396 2-Hydroxy-3,4-anhydroneomajacin; 2-Ketone C15H16O7 308.089602 NA MeJP NA NA +MJ029397 4,5,6-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one, 6-O-(2-Hydroxy-6-methylbenzoyl) C15H16O7 308.089602 NA MeJP NA NA +MJ029398 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Methylene ether, 5-O-(2,3-dihydroxy-3-methylbutyl) C15H16O7 308.089602 NA MeJP NA NA +MJ029399 5,8-Dihydroxy-6-hydroxymethyl-7-(2-hydroxypropyl)-2-methoxy-1,4-naphthoquinone C15H16O7 308.089602 NA MeJP NA NA +MJ029400 6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Methylene ether, 8-O-(2,3-dihydroxy-3-methylbutyl) C15H16O7 308.089602 NA MeJP NA NA +MJ029401 6-(3-Hydroxybutyl)-7-methoxy-2,3,5-trihydroxy-1,4-naphthoquinone C15H16O7 308.089602 NA MeJP NA NA +MJ029402 7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one; 7-O-(2-Hydroxy-3-methylbutanoyl) C15H16O7 308.089602 NA MeJP NA NA +MJ029403 Allamandicin C15H16O7 308.089602 NA MeJP NA NA +MJ029404 Allamandin C15H16O7 308.089602 NA MeJP NA NA +MJ029405 Fusarubin; 4a?,10a?-Dihydro C15H16O7 308.089602 NA MeJP NA NA +MJ029406 Fusarubin; 4a?,10a?-Dihydro C15H16O7 308.089602 NA MeJP NA NA +MJ029407 Neoliacinolide A C15H16O7 308.089602 NA MeJP NA NA +MJ029408 Plumieridine C15H16O7 308.089602 NA MeJP NA NA +MJ029409 Purpurenol; O5-De-Me C15H16O7 308.089602 NA MeJP NA NA +MJ029410 Cycotiamine C13H16N4O3S 308.094311 NA MeJP NA NA +C08549 Indicaxanthin C14H16N2O6 308.1008 NA KEGG NA NA +MJ029411 Indicaxanthin C14H16N2O6 308.100836 NA MeJP NA NA +FL1CHYNF0004 O-Methylpongamol C19H16O4 308.10485 80158-88-9 knapsack NA NA +HMDB01935 Warfarin C19H16O4 308.104858 NA HMDB2010 NA NA +HMDB02114 Bisdemethoxycurcumin C19H16O4 308.104858 NA HMDB2010 NA NA +MJ029412 1,2,7,8-Pyrenetetrol; 1,2,8-Tri-Me ether C19H16O4 308.104859 NA MeJP NA NA +MJ029413 2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol C19H16O4 308.104859 NA MeJP NA NA +MJ029414 2-(3,4-Dihydroxyphenyl)-7-hydroxy-5-(2-propenyl)benzofuran; 3',4'-Methylene, 7-Me ether C19H16O4 308.104859 NA MeJP NA NA +MJ029415 2-(4-Hydroxyphenyl)-7-methoxy-5-(1-propenyl)-3-benzofurancarboxaldehyde C19H16O4 308.104859 NA MeJP NA NA +MJ029416 3,4-Dihydro-6,7-dihydroxy-1-[3-(4-hydroxyphenyl)-2-propenylidene]-2(1H)-naphthalenone C19H16O4 308.104859 NA MeJP NA NA +MJ029417 Curcumin; Bis-demethoxy C19H16O4 308.104859 NA MeJP NA NA +MJ029418 Emycin D C19H16O4 308.104859 NA MeJP NA NA +MJ029419 Eupomatenoid 11; 2'-Ketone C19H16O4 308.104859 NA MeJP NA NA +MJ029420 Glyinflanin H C19H16O4 308.104859 NA MeJP NA NA +MJ029421 Kanzonol U C19H16O4 308.104859 NA MeJP NA NA +MJ029422 Kigelinol C19H16O4 308.104859 NA MeJP NA NA +MJ029423 Moracin D C19H16O4 308.104859 NA MeJP NA NA +MJ029424 Moracin E C19H16O4 308.104859 NA MeJP NA NA +MJ029425 Moracin G C19H16O4 308.104859 NA MeJP NA NA +MJ029426 Ochromycinone, 5,6-Dihydro C19H16O4 308.104859 NA MeJP NA NA +MJ029427 Plectranthone E C19H16O4 308.104859 NA MeJP NA NA +MJ029428 Pongamol; 3-Me enol ether C19H16O4 308.104859 NA MeJP NA NA +MJ029429 Rubiginone A1; 4-Deoxy, O-de-Me C19H16O4 308.104859 NA MeJP NA NA +MJ029430 Tanshinonal C19H16O4 308.104859 NA MeJP NA NA +MJ029431 Warfarin C19H16O4 308.104859 NA MeJP NA NA +HMDB01935 Warfarin C19H16O4 308.10486 http://www.hmdb.ca/metabolites/HMDB01935 HMDB NA NA +HMDB02114 Bisdemethoxycurcumin C19H16O4 308.10486 http://www.hmdb.ca/metabolites/HMDB02114 HMDB NA NA +HMDB01935 Warfarin C19H16O4 308.10486 HMDB01935 PFEM_hmdb_metabocards_official NA NA +HMDB02114 Bisdemethoxycurcumin C19H16O4 308.10486 HMDB02114 PFEM_hmdb_metabocards_official NA NA +C01541 Warfarin C19H16O4 308.1049 NA KEGG NA NA +C17743 Bisdemethoxycurcumin C19H16O4 308.1049 NA KEGG NA NA +MJ029432 4-Amino-N-[2,6-bis(methylamino)-4-pyrimidinyl]benzenesulfonamide C12H16N6O2S 308.105544 NA MeJP NA NA +MetaCyc02749 porphyrin-ring [] C20H12N4 308.106196 NA metacyc NA NA +MJ029433 5-Cyclohexene-1,2,3,4-tetrol, 2-O-?-D-Glucopyranoside C12H20O9 308.110732 NA MeJP NA NA +MJ029434 5-Cyclohexene-1,2,3,4-tetrol, 3-O-?-D-Glucopyranoside C12H20O9 308.110732 NA MeJP NA NA +MJ029435 5-Cyclohexene-1,2,3,4-tetrol, 4-O-?-D-Glucopyranoside C12H20O9 308.110732 NA MeJP NA NA +MJ029436 5-Cyclohexene-1,2,3,4-tetrol, 1-O-?-D-Galactopyranoside C12H20O9 308.110732 NA MeJP NA NA +MJ029437 5-Cyclohexene-1,2,3,4-tetrol, 2- or 3-O-?-D-Glucopyranoside C12H20O9 308.110732 NA MeJP NA NA +MJ029438 6-(3-Hydroxy-3-methyl-1-butenyl)-1-phenazinecarboxylic acid C18H16N2O3 308.116092 NA MeJP NA NA +MJ029439 Amfonelic acid C18H16N2O3 308.116092 NA MeJP NA NA +MJ029440 Anonaine, N-Carbamoyl C18H16N2O3 308.116092 NA MeJP NA NA +MJ029441 Azaacridone A C18H16N2O3 308.116092 NA MeJP NA NA +MJ029442 Roquinimex C18H16N2O3 308.116092 NA MeJP NA NA +MJ029443 Spiguetidine C18H16N2O3 308.116092 NA MeJP NA NA +MJ029444 3'-Amino-3'-deoxyadenosine; 3'N-Ac C12H16N6O4 308.123303 NA MeJP NA NA +MJ029445 Adenosine-5'-uronic acid; N-Ethylamide C12H16N6O4 308.123303 NA MeJP NA NA +MJ029446 N6-(Carbamoylmethyl)-2'-deoxyadenosine C12H16N6O4 308.123303 NA MeJP NA NA +MJ029447 1,3-Dihydro-3,7-dihydroxy-5-methoxy-6-methyl-4-isobenzofurancarboxylic acid; 7-(3-Methyl-2-butenyl) ether C16H20O6 308.125988 NA MeJP NA NA +MJ029448 1-(3,4,5-Trihydroxyphenyl)-1,2-propanediol; 3',4'-Methylene, 5'-Me ether, O2-angeloyl C16H20O6 308.125988 NA MeJP NA NA +MJ029449 2,3,4,8-Tetrahydroxy-1(10),11(13)-guaiadien-12,6-olide, 3-Ketone, 4-Me ether C16H20O6 308.125988 NA MeJP NA NA +MJ029450 3,4,5,6,7,8-Hexahydro-7,12,14-trihydroxy-3-methyl-1H-2-benzoxacyclodecin-1,9(10H)-dione C16H20O6 308.125988 NA MeJP NA NA +MJ029451 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether, 8-O-(4-hydroxy-3-methylbutyl) C16H20O6 308.125988 NA MeJP NA NA +MJ029452 5,7-Dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-methyl-4H-1-benzopyran-4-one; 2'-Hydroxy, 7-Me ether C16H20O6 308.125988 NA MeJP NA NA +MJ029453 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(2-Hydroxy-3-methoxy-3-methylbutyl) C16H20O6 308.125988 NA MeJP NA NA +MJ029454 Cladosporin; 4'-Hydroxy C16H20O6 308.125988 NA MeJP NA NA +MJ029455 Cladosporin; 5'-Hydroxy C16H20O6 308.125988 NA MeJP NA NA +MJ029456 Cornexistin C16H20O6 308.125988 NA MeJP NA NA +MJ029457 Curvularin, 11?-Hydroxy C16H20O6 308.125988 NA MeJP NA NA +MJ029458 Curvularin, 11?-Hydroxy C16H20O6 308.125988 NA MeJP NA NA +MJ029459 Egelolide; 8-Ac C16H20O6 308.125988 NA MeJP NA NA +MJ029460 Epoxyconiferyl alcohol; 4'-O-(2-Methylpropanoyl), 1-Ac C16H20O6 308.125988 NA MeJP NA NA +MJ029461 Eucommiol; 6-(4-Hydroxybenzoyl) C16H20O6 308.125988 NA MeJP NA NA +MJ029462 Mexoticin C16H20O6 308.125988 NA MeJP NA NA +MJ029463 Monocerin C16H20O6 308.125988 NA MeJP NA NA +MJ029464 Pyrenophorol; Diketone C16H20O6 308.125988 NA MeJP NA NA +MJ029465 Ramigenic acid C16H20O6 308.125988 NA MeJP NA NA +MJ029466 Riburonic acid; ?-D-Furanose-form, Benzyl glycoside, 2,3-O-isopropylidene, Me ester C16H20O6 308.125988 NA MeJP NA NA +MJ029467 Scytalol A; 3-Me ether C16H20O6 308.125988 NA MeJP NA NA +MJ029468 Tetrahydroaltersolanol B C16H20O6 308.125988 NA MeJP NA NA +MJ029469 Toddalolactone C16H20O6 308.125988 NA MeJP NA NA +MJ029470 Vernodalol; 8-Deacyl C16H20O6 308.125988 NA MeJP NA NA +C08483 14-Dihydroxycornestin C16H20O6 308.126 NA KEGG NA NA +C09953 Monocerin C16H20O6 308.126 NA KEGG NA NA +MJ029471 Nifenazone C17H16N4O2 308.127325 NA MeJP NA NA +MJ029472 2-(3,4-Dimethoxy-5-propylphenyl)-4,5-dihydro-N-hydroxy-4-oxazolecarboxamide C15H20N2O5 308.137221 NA MeJP NA NA +MJ029473 Iprofenin C15H20N2O5 308.137221 NA MeJP NA NA +MJ029474 1,14-Diisothiocyanato-1,13-tetradecadiene C16H24N2S2 308.13809 NA MeJP NA NA +FL1C19NI0001 Isocordoin C20H20O3 308.14124 52601-05-5<BR>51619-57-9<BR>55332-93-9 knapsack NA NA +FL1C19NI0002 2',4'-Dihydroxy-3'-(1,1-dimethyl-2-propenyl)chalcone C20H20O3 308.14124 57621-12-2 knapsack NA NA +FL1C1ANI0003 Derricidin C20H20O3 308.14124 38965-74-1 knapsack NA NA +FL2F19NI0001 Isoderricidin C20H20O3 308.14124 38965-76-3 knapsack NA NA +FL2F19NI0003 Ovaliflavanone B C20H20O3 308.14124 78045-73-5 knapsack NA NA +MJ029475 -Hydroxyflavanone, 3-Methyl-2-butenyl ether C20H20O3 308.141244 NA MeJP NA NA +MJ029476 18(4?3)-Abeo-2-hydroxy-20-nor-1,3,5(10),6,8,13-abietahexaene-11,12-dione; Me ether C20H20O3 308.141244 NA MeJP NA NA +MJ029477 2',4'-Dihydroxy-3'-prenylchalcone C20H20O3 308.141244 NA MeJP NA NA +MJ029478 2',4'-Dihydroxychalcone; 4'-O-(3-Methyl-2-butenyl) C20H20O3 308.141244 NA MeJP NA NA +MJ029479 2,5-Bis(2-methoxy-5-methylphenyl)furan C20H20O3 308.141244 NA MeJP NA NA +MJ029480 3,4-Dihydro-2-(4-hydroxyphenyl)-8,8-dimethyl-2H,8H-benzo[1,2-b':3,4-b']dipyran C20H20O3 308.141244 NA MeJP NA NA +MJ029481 5,10-Dihydroxy-1,3,5,7,10,12,14-amphilectaheptaen-9-one C20H20O3 308.141244 NA MeJP NA NA +MJ029482 7-Hydroxy-8-prenylflavanone C20H20O3 308.141244 NA MeJP NA NA +MJ029483 7-[2-(3,4-Dihydroxyphenyl)ethenyl]-2,2-dimethyl-2H-1-benzopyran-5-ol, 3'-Deoxy, 5-Me ether C20H20O3 308.141244 NA MeJP NA NA +MJ029484 ?-Isocordoin C20H20O3 308.141244 NA MeJP NA NA +MJ029485 Asnipyrone B C20H20O3 308.141244 NA MeJP NA NA +MJ029486 Biflorin C20H20O3 308.141244 NA MeJP NA NA +MJ029487 Carinatidin; 3'-Demethoxy, Me ether C20H20O3 308.141244 NA MeJP NA NA +MJ029488 Eupomatenoid 6; 3'-Methoxy, Me ether C20H20O3 308.141244 NA MeJP NA NA +MJ029489 Eupomatenoid 6; 7-Methoxy, Me ether C20H20O3 308.141244 NA MeJP NA NA +MJ029490 Salvilenone; 3-Hydroxy C20H20O3 308.141244 NA MeJP NA NA +MJ029491 Brevobiose C13H24O8 308.147117 NA MeJP NA NA +MJ029492 Viminose C13H24O8 308.147117 NA MeJP NA NA +MJ029493 Benzhydrazone C15H16N8 308.149792 NA MeJP NA NA +MJ029494 (2,2-Dimethyl-2H-1-benzopyran-6-yl)ethylamine; N-(3-Pyridinecarbonyl) C19H20N2O2 308.152477 NA MeJP NA NA +MJ029495 3-[(2,4-Dimethoxyphenyl)methylene]-3,4,5,6-tetrahydro-2,3'-bipyridine C19H20N2O2 308.152477 NA MeJP NA NA +MJ029496 Antirhine lactone C19H20N2O2 308.152477 NA MeJP NA NA +MJ029497 Henningsamide; N-De(hydroxyacetyl) C19H20N2O2 308.152477 NA MeJP NA NA +MJ029498 Meloscine; Natural-form, 17-Epimer, 9-hydroxy C19H20N2O2 308.152477 NA MeJP NA NA +MJ029499 Meloscine; Natural-form, 17-Epimer, N4-oxide C19H20N2O2 308.152477 NA MeJP NA NA +MJ029500 Methuenine; 6-Oxo C19H20N2O2 308.152477 NA MeJP NA NA +MJ029501 Nor-C-fluorocurarine, 18-Hydroxy C19H20N2O2 308.152477 NA MeJP NA NA +MJ029502 Nor-C-fluorocurarine, Nb-Oxide C19H20N2O2 308.152477 NA MeJP NA NA +MJ029503 Phenylbutazone C19H20N2O2 308.152477 NA MeJP NA NA +MJ029504 Purpeline; O,N-Di-de-Me C19H20N2O2 308.152477 NA MeJP NA NA +MJ029505 Rhazinicine C19H20N2O2 308.152477 NA MeJP NA NA +MJ029506 Rhazinilam, 3-Oxo C19H20N2O2 308.152477 NA MeJP NA NA +MJ029507 Vincanidine C19H20N2O2 308.152477 NA MeJP NA NA +C07440 Phenylbutazone C19H20N2O2 308.1525 NA KEGG NA NA +MJ029508 Norclostebol C18H25ClO2 308.154307 NA MeJP NA NA +MJ029509 Kasuganobiosamine C12H24N2O7 308.158351 NA MeJP NA NA +C16488 Fructoselysine C12H24N2O7 308.1584 NA KEGG NA NA +MJ029510 1,10-Epoxy-3-hydroxy-4-germacren-12,8-olide, Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029511 1,11-Dihydroxy-4(15)-eudesmen-12,6-olide, 1-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029512 1,3-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, 1-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029513 1,3-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, 3-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029514 1,3-Dihydroxy-4-eudesmen-12,6-olide, 3-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029515 1,3-Dihydroxy-4-eudesmen-12,6-olide, 1-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029516 1,4-Dihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029517 1,4-Dihydroxy-2-eudesmen-12,6-olide, 1-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029518 1,5-Dihydroxy-3-eudesmen-12,6-olide, 1-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029519 1,5-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, 1-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029520 1,6-Dihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide, 1-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029521 1,6-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 11?,13-Dihydro, 6-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029522 1,8-Dihydroxy-3-eudesmen-12,6-olide, 8-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029523 1,8-Dihydroxy-3-eudesmen-12,6-olide, 1-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029524 1,8-Dihydroxy-4(15)-eudesmen-12,6-olide, 8-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029525 1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, 8-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029526 1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, 8-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029527 1,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 1-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029528 1,9-Dihydroxy-4,10(14)-germacradien-12,6-olide, 9-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029529 2,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, Dihydro, 2-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029530 2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 4-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029531 2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 2-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029532 2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 4-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029533 2,4-Dihydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro, 2-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029534 2,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 2-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029535 2,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro, 4-ketone, 2-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029536 2,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 2-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029537 3,10-Dihydroxy-4,11(13)-muuroladien-12-oic acid, 3-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029538 3,15-Scirpenediol; 3?-form, 3-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029539 3,20-Epoxy-3,14-dihydroxy-19,6-podocarpanolide C17H24O5 308.162373 NA MeJP NA NA +MJ029540 3,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 3-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029541 3,7-Dihydroxy-4-eudesmen-12,6-olide, 7-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029542 3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3',4',5'-Tri-Me ether, O-(3-methylbutanoyl) C17H24O5 308.162373 NA MeJP NA NA +MJ029543 3-Heptyl-3,4-dihydro-1,6,8-trihydroxy-1H-2-benzopyran-7-carboxylic acid, 1-Deoxy C17H24O5 308.162373 NA MeJP NA NA +MJ029544 4,10-Dihydroxy-11(13)-guaien-12,8-olide, 4-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029545 4,14-Dihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029546 4,15-Dihydroxy-11(13)-pseudoguaien-12,6-olide, 15-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029547 4,15-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 15-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029548 4,15-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029549 4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, 11?,13-Dihydro, Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029550 4,5-Epoxy-9-hydroxy-1(10),11(13)-germacradien-12,6-olide, 11?,13-Dihydro, Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029551 4,5-Seconeopulchell-5-ene; 2-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029552 4,5-Seconeopulchell-5-ene; 4-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029553 4,6-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029554 4,6-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 6-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029555 5,6,8-Trihydroxy-7-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; Tetra-Me ether C17H24O5 308.162373 NA MeJP NA NA +MJ029556 5,7,8-Trihydroxy-6-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; Tetra-Me ether C17H24O5 308.162373 NA MeJP NA NA +MJ029557 5,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, 8-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029558 5,9-Dihydroxy-4(15),11(13)-eudesmadien-12-oic acid, 9-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029559 6,7-Dihydroxy-8-drimen-11,12-olide, 6-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029560 6,9-Dihydroxy-7-drimen-12,11-olide, 6-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029561 6,9-Dihydroxy-7-drimene-11,12-dial, 6-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029562 8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 8-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029563 8-Hydroxy-3-oxo-1(10)-germacren-12,6-olide, Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029564 8-Oxo-6-eremophilene-12,15-dioic acid; Di-Me ester C17H24O5 308.162373 NA MeJP NA NA +MJ029565 9-Hydroxy-4,11(13)-eudesmadien-12-oic acid, 4?,5?-Epoxide, 9-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029566 9-Hydroxy-4,11(13)-eudesmadien-12-oic acid, 4?,5?-Epoxide, 9-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029567 ACRL Toxins; ACRL Toxin II C17H24O5 308.162373 NA MeJP NA NA +MJ029568 Altamisic acid; Et ester C17H24O5 308.162373 NA MeJP NA NA +MJ029569 Cytosporin C; 6-Ketone C17H24O5 308.162373 NA MeJP NA NA +MJ029570 Euplotin B; 10,11-Dihydro C17H24O5 308.162373 NA MeJP NA NA +MJ029571 Evodione; 1'-Alcohol, Me ether C17H24O5 308.162373 NA MeJP NA NA +MJ029572 Fukinolidiol; 1-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029573 Gregatin C, Stereoisomer, Me ether C17H24O5 308.162373 NA MeJP NA NA +MJ029574 Ivambrin; 2-Ac C17H24O5 308.162373 NA MeJP NA NA +MJ029575 Lasiodiplodin, 4S-Hydroxy C17H24O5 308.162373 NA MeJP NA NA +MJ029576 Lasiodiplodin, 5R-Hydroxy C17H24O5 308.162373 NA MeJP NA NA +MJ029577 Lasiodiplodin, 5S-Hydroxy C17H24O5 308.162373 NA MeJP NA NA +MJ029578 Lasiodiplodin, Hydroxy C17H24O5 308.162373 NA MeJP NA NA +MJ029579 Linifolone, 10,11-Dihydro, 10-acetoxy C17H24O5 308.162373 NA MeJP NA NA +MJ029580 Naematolin C17H24O5 308.162373 NA MeJP NA NA +MJ029581 Plagiochiline I C17H24O5 308.162373 NA MeJP NA NA +MJ029582 Zafronic acid; 3-Ac C17H24O5 308.162373 NA MeJP NA NA +C09483 Inulicin C17H24O5 308.1624 NA KEGG NA NA +C09638 Cinnamodial C17H24O5 308.1624 NA KEGG NA NA +C00732 Ubenimex C16H24N2O4 308.1736 NA KEGG NA NA +C00734 Chitosan C12H24N2O9 308.1736 NA KEGG NA NA +MJ029583 Bestatin C16H24N2O4 308.173607 NA MeJP NA NA +MJ029584 Diacetolol C16H24N2O4 308.173607 NA MeJP NA NA +MJ029585 Baquiloprim C17H20N6 308.174944 NA MeJP NA NA +MJ029586 9-(2-Fluoro-1-methylpropyl)-2-methoxy-6-(1-piperazinyl)-9H-purine C14H21FN6O 308.176087 NA MeJP NA NA +MJ029587 1,7-Diphenyl-6-hepten-3-ol, Ac C21H24O2 308.17763 NA MeJP NA NA +MJ029588 17-Hydroxy-11-methylene-19-norpregna-4,15-dien-20-yn-3-one C21H24O2 308.17763 NA MeJP NA NA +MJ029589 2-(3-Methyl-2-butenyl)-5-(2-phenylethenyl)-1,3-benzenediol; Di-Me ether C21H24O2 308.17763 NA MeJP NA NA +MJ029590 Cyclozonarone C21H24O2 308.17763 NA MeJP NA NA +MJ029591 Dehydrocannabifuran C21H24O2 308.17763 NA MeJP NA NA +MJ029592 Gestrinone C21H24O2 308.17763 NA MeJP NA NA +HMDB02720 Gestrinone C21H24O2 308.17764 http://www.hmdb.ca/metabolites/HMDB02720 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02720 Gestrinone C21H24O2 308.17764 http://www.hmdb.ca/metabolites/HMDB02720 HMDB NA NA +HMDB02720 Gestrinone C21H24O2 308.17764 http://www.hmdb.ca/metabolites/HMDB02720 PFEM_hmdb_metabocards_blood NA blood +HMDB02720 Gestrinone C21H24O2 308.17764 HMDB02720 PFEM_hmdb_metabocards_official NA NA +HMDB02720 Gestrinone C21H24O2 308.177643 NA HMDB2010 NA NA +MJ029593 1,3-Octanediol, 1-O-?-D-Glucopyranoside C14H28O7 308.183503 NA MeJP NA NA +MJ029594 Antibiotic SF 2369 C15H24N4O3 308.18484 NA MeJP NA NA +MJ029595 Affinisine C20H24N2O 308.188863 NA MeJP NA NA +MJ029596 Aristolasicone C20H24N2O 308.188863 NA MeJP NA NA +MJ029597 Aristone C20H24N2O 308.188863 NA MeJP NA NA +MJ029598 Aristoteline, 13-Oxo C20H24N2O 308.188863 NA MeJP NA NA +MJ029599 Aristoteline, 8-Oxo C20H24N2O 308.188863 NA MeJP NA NA +MJ029600 Aspidofractinine, 14,15-Didehydro, 12-hydroxy, N1-Me C20H24N2O 308.188863 NA MeJP NA NA +MJ029601 Aspidospermatidine; N-Ac C20H24N2O 308.188863 NA MeJP NA NA +MJ029602 Borrecapine C20H24N2O 308.188863 NA MeJP NA NA +MJ029603 Dihydrocycloakagerine C20H24N2O 308.188863 NA MeJP NA NA +MJ029604 Indecainide C20H24N2O 308.188863 NA MeJP NA NA +MJ029605 Kopsanol C20H24N2O 308.188863 NA MeJP NA NA +MJ029606 Koumine, 1,2-Dihydro C20H24N2O 308.188863 NA MeJP NA NA +MJ029607 Nitraraine C20H24N2O 308.188863 NA MeJP NA NA +MJ029608 Rosibiline C20H24N2O 308.188863 NA MeJP NA NA +MJ029609 Serratenone C20H24N2O 308.188863 NA MeJP NA NA +MJ029610 Taberpsychine C20H24N2O 308.188863 NA MeJP NA NA +MJ029611 Tangutorine C20H24N2O 308.188863 NA MeJP NA NA +MJ029612 Tetraphyllicine C20H24N2O 308.188863 NA MeJP NA NA +MJ029613 Tombozine; Me ether C20H24N2O 308.188863 NA MeJP NA NA +MJ029614 Ubisindine C20H24N2O 308.188863 NA MeJP NA NA +MJ029615 C-Mavacurine C20H25N2O(+) 308.188863 NA MeJP NA NA +MJ029616 Tombozine; N4-Me C20H25N2O(+) 308.188863 NA MeJP NA NA +C09022 Affinisine C20H24N2O 308.1889 NA KEGG NA NA +C09051 Borrecapine C20H24N2O 308.1889 NA KEGG NA NA +C12075 Tetraphyllicine C20H24N2O 308.1889 NA KEGG NA NA +C15396 3beta-Chloro-5-androsten-17beta-ol C19H29ClO 308.1907 NA KEGG NA NA +MJ029617 1-(2,4,6-Trihydroxyphenyl)-1-dodecanone C18H28O4 308.198759 NA MeJP NA NA +MJ029618 1-(2,6-Dihydroxyphenyl)-1-dodecanone; 3-Hydroxy C18H28O4 308.198759 NA MeJP NA NA +MJ029619 12-Hydroxy-13,14,15,16-tetranor-1(10)-halimen-18-oic acid; ent-form, Ac C18H28O4 308.198759 NA MeJP NA NA +MJ029620 15,16-Dinor-8(17)-labdene-14,19-dioic acid C18H28O4 308.198759 NA MeJP NA NA +MJ029621 16-Hydroxy-9-oxo-10,12,14-octadecatrienoic acid C18H28O4 308.198759 NA MeJP NA NA +MJ029622 2,5-Dihydroxy-3-undecyl-1,4-benzoquinone; 5-Me ether C18H28O4 308.198759 NA MeJP NA NA +MJ029623 3-Hydroxy-14,15-dinor-13-oxo-8(17)-labden-19-oic acid; 3?-form C18H28O4 308.198759 NA MeJP NA NA +MJ029624 3-[(7-Hydroxy-13-methyl-1-tetradecene-3,5-diynyl)oxy]-1,2-propanediol C18H28O4 308.198759 NA MeJP NA NA +MJ029625 7,12-Dioxo-8,10-octadecadienoic acid C18H28O4 308.198759 NA MeJP NA NA +MJ029626 8-Methyl-1'-oxonorpodopyrone; 8-Demethyl C18H28O4 308.198759 NA MeJP NA NA +MJ029627 9-Hydroxy-16-oxo-10,12,14-octadecatrienoic acid C18H28O4 308.198759 NA MeJP NA NA +MJ029628 Albocycline K2 C18H28O4 308.198759 NA MeJP NA NA +MJ029629 Albocycline C18H28O4 308.198759 NA MeJP NA NA +MJ029630 Antibiotic ML 236A; 8-Deoxy, 3,5-dihydro, 3?-hydroxy C18H28O4 308.198759 NA MeJP NA NA +MJ029631 Chromomoric acid C18H28O4 308.198759 NA MeJP NA NA +MJ029632 Cymathere ether A C18H28O4 308.198759 NA MeJP NA NA +MJ029633 Diplodiatoxin C18H28O4 308.198759 NA MeJP NA NA +MJ029634 Ecklonialactone C C18H28O4 308.198759 NA MeJP NA NA +MJ029635 Lactomycin C18H28O4 308.198759 NA MeJP NA NA +MJ029636 Litseakolide A C18H28O4 308.198759 NA MeJP NA NA +MJ029637 Sorokinianin C18H28O4 308.198759 NA MeJP NA NA +MJ029638 Xestodiol C18H28O4 308.198759 NA MeJP NA NA +MJ029639 [6]-Gingerol, Me ether C18H28O4 308.198759 NA MeJP NA NA +C10373 5-O-Methylembelin C18H28O4 308.1988 NA KEGG NA NA +EUR470 Thromboxane B2 F3 F3 308.201625 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR470 Thromboxane B2 F3 NA 308.201625 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR470 Thromboxane B2 F3 F3 308.201625 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR470 Thromboxane B2 F3 NA 308.201625 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR470 Thromboxane B2 F3 F3 308.201625 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR470 Thromboxane B2 F3 NA 308.201625 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR470 Thromboxane B2 F3 F3 308.201625 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR470 Thromboxane B2 F3 F3 308.201625 standards wishlist analysés sur QTOF HMDB NA NA +EUR470 Thromboxane B2 F3 F3 308.201625 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR470 Thromboxane B2 F3 NA 308.201625 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR470 Thromboxane B2 F3 F3 308.201625 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR470 Thromboxane B2 F3 F3 308.201625 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ029640 Ambucaine C17H28N2O3 308.209992 NA MeJP NA NA +MJ029641 Metabutoxycaine C17H28N2O3 308.209992 NA MeJP NA NA +MJ029642 Oxybuprocaine C17H28N2O3 308.209992 NA MeJP NA NA +MJ029643 1-Hexadecanesulfonyl fluoride C16H33FO2S 308.218529 NA MeJP NA NA +MJ029644 1,11,14-Heptadecatriene-8,9-diol, 8-Ac C19H32O3 308.235144 NA MeJP NA NA +MJ029645 1,11,14-Heptadecatriene-8,9-diol, 9-Ac C19H32O3 308.235144 NA MeJP NA NA +MJ029646 1,6,10-Farnesatriene-3,9-diol; 9-(2-Methylpropanoyl) C19H32O3 308.235144 NA MeJP NA NA +MJ029647 10-Oxo-11-octadecynoic acid; Me ester C19H32O3 308.235144 NA MeJP NA NA +MJ029648 19-Nor-4,16,17-kauranetriol C19H32O3 308.235144 NA MeJP NA NA +MJ029649 3,4:7,8-Diepoxy-1,4,8,12,12-pentamethylbicyclo[9.3.0]tetradecan-14-ol C19H32O3 308.235144 NA MeJP NA NA +MJ029650 3-Methyl-5-pentyl-2-furannonanoic acid C19H32O3 308.235144 NA MeJP NA NA +MJ029651 3-Methyl-5-propyl-2-furannonanoic acid; Et ester C19H32O3 308.235144 NA MeJP NA NA +MJ029652 4,6-Dihydroxy-20-nor-2,7-cembradien-12-one C19H32O3 308.235144 NA MeJP NA NA +MJ029653 4-Amorphene-3,11-diol, 3-(2-Methylpropanoyl) C19H32O3 308.235144 NA MeJP NA NA +MJ029654 4-Methyljuvenile hormone I C19H32O3 308.235144 NA MeJP NA NA +MJ029655 5-Tridecyl-1,3-benzenediol; 12'S-Hydroxy C19H32O3 308.235144 NA MeJP NA NA +MJ029656 8-Methyl-1'-oxonorpodopyrone; 1'-Deoxo C19H32O3 308.235144 NA MeJP NA NA +MJ029657 8-Oxo-9-octadecynoic acid; Me ester C19H32O3 308.235144 NA MeJP NA NA +MJ029658 Androstane-3,16,17-triol C19H32O3 308.235144 NA MeJP NA NA +MJ029659 Androstane-3,6,17-triol C19H32O3 308.235144 NA MeJP NA NA +MJ029660 Dictyopyrone A; 10',11'-Dihydro C19H32O3 308.235144 NA MeJP NA NA +MJ029661 Dihydro-4-hydroxy-5-methylene-3-tetradecylidene-2(3H)-furanone C19H32O3 308.235144 NA MeJP NA NA +MJ029662 Juvenile hormone O C19H32O3 308.235144 NA MeJP NA NA +MJ029663 Litsenolide E1 C19H32O3 308.235144 NA MeJP NA NA +MJ029664 Podopyrone C19H32O3 308.235144 NA MeJP NA NA +MJ029665 [3,5-Diethyl-5-(2-ethylhexyl)-2(5H)-furanylidene]acetic acid, Me ester C19H32O3 308.235144 NA MeJP NA NA +MJ029666 7-[5-(1-Octenyl)-4-imidazolidinyl]-5-heptenoic acid C18H32N2O2 308.246378 NA MeJP NA NA +MJ029667 8,13-Epithiolabdane C20H36S 308.253771 NA MeJP NA NA +MJ029668 9,13-Epithiolabdane C20H36S 308.253771 NA MeJP NA NA +C09183 Sclareol C20H36O2 308.2715 NA KEGG NA NA +C16525 Icosadienoic acid C20H36O2 308.2715 NA KEGG NA NA +HMDB05060 Eicosadienoic acid C20H36O2 308.271515 NA HMDB2010 NA NA +MJ029669 10,14-Eicosadienoic acid C20H36O2 308.27153 NA MeJP NA NA +MJ029670 10,15-Eicosadienoic acid C20H36O2 308.27153 NA MeJP NA NA +MJ029671 11,14-Eicosadienoic acid C20H36O2 308.27153 NA MeJP NA NA +MJ029672 11,15-Eicosadienoic acid C20H36O2 308.27153 NA MeJP NA NA +MJ029673 13-(2-Cyclopentenyl)tridecanoic acid, Et ester C20H36O2 308.27153 NA MeJP NA NA +MJ029674 13-Labdene-8,15-diol C20H36O2 308.27153 NA MeJP NA NA +MJ029675 13-Labdene-9,15-diol C20H36O2 308.27153 NA MeJP NA NA +MJ029676 14-Halimene-5,13-diol C20H36O2 308.27153 NA MeJP NA NA +MJ029677 14-Labdene-8,13-diol C20H36O2 308.27153 NA MeJP NA NA +MJ029678 2,13-Octadecadien-1-ol, Ac C20H36O2 308.27153 NA MeJP NA NA +MJ029679 2-Cyclopentene-1-pentadecanoic acid C20H36O2 308.27153 NA MeJP NA NA +MJ029680 2-Phyten-1,20-olide C20H36O2 308.27153 NA MeJP NA NA +MJ029681 3,13-Clerodadiene-15,17-diol, 13?,14-Dihydro C20H36O2 308.27153 NA MeJP NA NA +MJ029682 3,13-Octadecadien-1-ol, Ac C20H36O2 308.27153 NA MeJP NA NA +MJ029683 3-Clerodene-15,18-diol C20H36O2 308.27153 NA MeJP NA NA +MJ029684 3-Viscidene-5,16-diol C20H36O2 308.27153 NA MeJP NA NA +MJ029685 5(10)-Halimene-3,15-diol C20H36O2 308.27153 NA MeJP NA NA +MJ029686 5,11-Eicosadienoic acid C20H36O2 308.27153 NA MeJP NA NA +MJ029687 5,16-Rosanediol C20H36O2 308.27153 NA MeJP NA NA +MJ029688 6,11-Eicosadienoic acid C20H36O2 308.27153 NA MeJP NA NA +MJ029689 6,14-Eicosadienoic acid C20H36O2 308.27153 NA MeJP NA NA +MJ029690 7,8-Eicosadienoic acid C20H36O2 308.27153 NA MeJP NA NA +MJ029691 7-Labdene-15,17-diol C20H36O2 308.27153 NA MeJP NA NA +MJ029692 7-Labdene-2,15-diol C20H36O2 308.27153 NA MeJP NA NA +MJ029693 7-Labdene-3,15-diol C20H36O2 308.27153 NA MeJP NA NA +MJ029694 8(17)-Labdene-14,15-diol C20H36O2 308.27153 NA MeJP NA NA +MJ029695 8(17)-Labdene-15,18-diol C20H36O2 308.27153 NA MeJP NA NA +MJ029696 8(17)-Labdene-15,19-diol C20H36O2 308.27153 NA MeJP NA NA +MJ029697 8(17)-Labdene-2,15-diol C20H36O2 308.27153 NA MeJP NA NA +MJ029698 8(17)-Labdene-3,15-diol C20H36O2 308.27153 NA MeJP NA NA +MJ029699 8(17)-Labdene-6,15-diol C20H36O2 308.27153 NA MeJP NA NA +MJ029700 8(17)-Labdene-7,15-diol C20H36O2 308.27153 NA MeJP NA NA +MJ029701 8,11-Eicosadienoic acid C20H36O2 308.27153 NA MeJP NA NA +MJ029702 8,13-Epoxy-15-labdanal, 15-Alcohol C20H36O2 308.27153 NA MeJP NA NA +MJ029703 8,15-Labdanediol, 15-Aldehyde C20H36O2 308.27153 NA MeJP NA NA +MJ029704 9,13-Eicosadienoic acid C20H36O2 308.27153 NA MeJP NA NA +MJ029705 Helipterol; 11,18-Dihydro, 11?-hydroxy C20H36O2 308.27153 NA MeJP NA NA +MJ029706 Magydardienediol C20H36O2 308.27153 NA MeJP NA NA +MJ029707 Peucelinendiol C20H36O2 308.27153 NA MeJP NA NA +MJ029708 Siphonarienolone; 5-Ketone C20H36O2 308.27153 NA MeJP NA NA +MJ029709 16-Methyl-1-eicosyn-3-ol C21H40O 308.307915 NA MeJP NA NA +MJ029710 19-Methyl-1-eicosyn-3-ol C21H40O 308.307915 NA MeJP NA NA +MJ029711 6-Heneicosen-11-one C21H40O 308.307915 NA MeJP NA NA +MJ029712 7-Heneicosen-11-one C21H40O 308.307915 NA MeJP NA NA +MJ029713 1-Docosene C22H44 308.344301 NA MeJP NA NA +3864 NA PKNYP 308.65195 MH2+ Inhouse_peptide NA peptide +4009 LTD 1 EQLTK 308.6625 MH2+ Inhouse_peptide NA peptide +3359 NA KVLAGM 308.6722 MH2+ Inhouse_peptide NA peptide +MJ029714 2-Amino-4,6-dibromo-3-hydroxybenzoic acid C7H5Br2NO3 308.863618 NA MeJP NA NA +MJ029715 4-Bromophakellin C11H12BrN5O 309.022522 NA MeJP NA NA +MJ029716 Hymenin; 2-Debromo C11H12BrN5O 309.022522 NA MeJP NA NA +MJ029717 Oroidin; 2-Debromo C11H12BrN5O 309.022522 NA MeJP NA NA +MJ029718 Brofaromine C14H16BrNO2 309.036441 NA MeJP NA NA +CJneg0512 ?-hydroxyhippuric acid [(M-H)+(HCOOH)+(HCOONa)]- C11H11NNaO8 309.046625 C18rt(min)=4.99 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0512 ?-hydroxyhippuric acid [(M-H)+(HCOOH)+(HCOONa)]- C11H11NNaO8 309.046625 C18rt(min)=4.99 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ029719 Tambjamine A; 5'-Bromo, 1''-N-propyl C13H16BrN3O 309.047674 NA MeJP NA NA +C15466 N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)maleamic acid C17H11NO5 309.0637 NA KEGG NA NA +MJ029720 1,2,10-Trihydroxy-4H-dibenzo[de,g]quinoline-4,5(6H)-dione; 1-Me ether C17H11NO5 309.063722 NA MeJP NA NA +MJ029721 1,2,10-Trihydroxy-4H-dibenzo[de,g]quinoline-4,5(6H)-dione; 2-Me ether C17H11NO5 309.063722 NA MeJP NA NA +MJ029722 1,2,3,7-Tetrahydroxydibenz[cd,f]indol-4(5H)one; 1,2-Methylene, 7-Me ether C17H11NO5 309.063722 NA MeJP NA NA +MJ029723 1,2,6,7-Tetrahydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Methylene, 7-Me ether C17H11NO5 309.063722 NA MeJP NA NA +MJ029724 1,2,7,8-Tetrahydroxydibenz[cd,f]indol-4(5H)one; 1,2-Methylene, 8-Me ether C17H11NO5 309.063722 NA MeJP NA NA +MJ029725 Aristolactam C II; 1'-Carboxylic acid, O2-de-Me C17H11NO5 309.063722 NA MeJP NA NA +MJ029726 Isoschumanniophytine; N-Me C17H12NO5(+) 309.063722 NA MeJP NA NA +MJ029727 Schumanniophytine; N-Me C17H12NO5(+) 309.063722 NA MeJP NA NA +MJ029728 Trazium(1+) C17H13ClN3O(+) 309.066889 NA MeJP NA NA +MJ029729 3-(3-Indolylmethyl)-5-(2-methylpropyl)-1,2,4-trithiolane C15H19NS3 309.067961 NA MeJP NA NA +MJ029730 Romazarit C15H16ClNO4 309.076785 NA MeJP NA NA +MJ029731 Glymidine C13H15N3O4S 309.078326 NA MeJP NA NA +MJ029732 Sulfafurazole; N-Ac C13H15N3O4S 309.078326 NA MeJP NA NA +PJ000246 GCM C10H19N3O4S2 309.0817 NA PeJP NA NA +HMDB10319 Inodxyl glucuronide C14H15NO7 309.084839 NA HMDB2010 NA NA +MJ029733 1H-Indol-3-ol; OH-form, O-D-xylo-Hexofuranoside C14H15NO7 309.084851 NA MeJP NA NA +MJ029734 Aspartic acid, N-(4-Hydroxy-3-methoxycinnamoyl) C14H15NO7 309.084851 NA MeJP NA NA +MJ029735 Narciclasine; 1,10b?-Dihydro C14H15NO7 309.084851 NA MeJP NA NA +MJ029736 Pancratistatin, 7-Deoxy C14H15NO7 309.084851 NA MeJP NA NA +C08494 Isotan B C14H15NO7 309.0849 NA KEGG NA NA +C12255 7-Deoxypancratistatin C14H15NO7 309.0849 NA KEGG NA NA +MJ029737 Sulfaguanole C12H15N5O3S 309.08956 NA MeJP NA NA +PJ000247 STC C10H19N3O6S 309.0995 NA PeJP NA NA +C10713 Lunamarine C18H15NO4 309.1001 NA KEGG NA NA +MJ029738 1,2,3-Trihydroxydibenz[cd,f]indol-4(5H)-one; 2,3-Di-Me ether, N-Me C18H15NO4 309.100107 NA MeJP NA NA +MJ029739 1,2,3-Trihydroxydibenz[cd,f]indol-4(5H)-one; Tri-Me ether C18H15NO4 309.100107 NA MeJP NA NA +MJ029740 1,2,7-Trihydroxydibenz[cd,f]indol-4(5H)-one; Tri-Me ether C18H15NO4 309.100107 NA MeJP NA NA +MJ029741 1,2,9-Trihydroxydibenz[cd,f]indol-4(5H)-one; Tri-Me ether C18H15NO4 309.100107 NA MeJP NA NA +MJ029742 1-(4-Methoxybenzoyl)-6,7-methylenedioxyisoquinoline; 1,2-Dihydro C18H15NO4 309.100107 NA MeJP NA NA +MJ029743 1-(4-Methoxybenzoyl)-6,7-methylenedioxyisoquinoline; ?-Alcohol C18H15NO4 309.100107 NA MeJP NA NA +MJ029744 Anolobine, N-Formyl C18H15NO4 309.100107 NA MeJP NA NA +MJ029745 Aristolactam C II C18H15NO4 309.100107 NA MeJP NA NA +MJ029746 Atalaphyllidine C18H15NO4 309.100107 NA MeJP NA NA +MJ029747 Clausevatine E; 1'-Deoxy, 1',2'-didehydro C18H15NO4 309.100107 NA MeJP NA NA +MJ029748 Crystamidine C18H15NO4 309.100107 NA MeJP NA NA +MJ029749 Graveoline; 5'-Methoxy C18H15NO4 309.100107 NA MeJP NA NA +MJ029750 Guattescidine C18H15NO4 309.100107 NA MeJP NA NA +MJ029751 Isosevanine C18H15NO4 309.100107 NA MeJP NA NA +MJ029752 Lunamarine C18H15NO4 309.100107 NA MeJP NA NA +MJ029753 Neolitsine, N-De-Me C18H15NO4 309.100107 NA MeJP NA NA +MJ029754 Norrufescine C18H15NO4 309.100107 NA MeJP NA NA +MJ029755 Ovigerine C18H15NO4 309.100107 NA MeJP NA NA +MJ029756 Reframidine, N-De-Me C18H15NO4 309.100107 NA MeJP NA NA +MJ029757 Sevanine C18H15NO4 309.100107 NA MeJP NA NA +MJ029758 Thehaplosin C18H15NO4 309.100107 NA MeJP NA NA +MJ029759 Bencisteine C15H19NO4S 309.103478 NA MeJP NA NA +CJpos0729 N-acetylneuraminic acid [(M+H)]+ C11H20NO9 309.105475 C18rt(min)=0.9 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0729 N-acetylneuraminic acid [(M+H)]+ C11H20NO9 309.105475 C18rt(min)=0.9 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ029760 N-Acetylneuraminate C11H19NO9 309.105981 NA MeJP NA NA +MJ029761 N-Acetylneuraminic acid C11H19NO9 309.105981 NA MeJP NA NA +MetaCyc02750 N-acetylneuraminate [sialic acid;NANA;O-sialic acid;sialate;N-acetylneuraminic acid;] C11H19N1O9 309.105981 131-48-6 metacyc NA NA +EUR042 SialicAcid C11H19NO9 309.105984 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR042 SialicAcid C11H19NO9 309.105984 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR042 SialicAcid C11H19NO9 309.105984 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR042 SialicAcid C11H19NO9 309.105984 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR042 SialicAcid C11H19NO9 309.105984 Wishlist HMDB NA NA +EUR042 SialicAcid C11H19NO9 309.105984 Wishlist Inhouse_PFEM NA NA +EUR042 SialicAcid C11H19NO9 309.105984 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR042 SialicAcid C11H19NO9 309.105984 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00230 N-Acetylneuraminic acid C11H19NO9 309.105988 NA HMDB2010 NA NA +HMDB00773 N-Acetyl-a-neuraminic acid C11H19NO9 309.105988 NA HMDB2010 NA NA +HMDB00230 N-Acetylneuraminic acid C11H19NO9 309.10599 http://www.hmdb.ca/metabolites/HMDB00230 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00230 N-Acetylneuraminic acid C11H19NO9 309.10599 http://www.hmdb.ca/metabolites/HMDB00230 HMDB NA NA +HMDB00773 N-Acetyl-a-neuraminic acid C11H19NO9 309.10599 http://www.hmdb.ca/metabolites/HMDB00773 HMDB NA NA +HMDB00230 N-Acetylneuraminic acid C11H19NO9 309.10599 http://www.hmdb.ca/metabolites/HMDB00230 PFEM_hmdb_metabocards_blood NA blood +HMDB00230 N-Acetylneuraminic acid C11H19NO9 309.10599 HMDB00230 PFEM_hmdb_metabocards_official NA NA +HMDB00773 N-Acetyl-a-neuraminic acid C11H19NO9 309.10599 HMDB00773 PFEM_hmdb_metabocards_official NA NA +EUR042 SialicAcid C11H19NO9 309.106 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR042 SialicAcid C11H19NO9 309.106 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR042 SialicAcid C11H19NO9 309.106 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR042 SialicAcid C11H19NO9 309.106 Wishlist Inhousejuil11 NA NA +C00270 N-Acetylneuraminate C11H19NO9 309.106 NA KEGG NA NA +C00271 Single-stranded DNA C10H19O14P3R2 309.106 NA KEGG NA NA +C03525 O-Acetylneuraminic acid C11H19NO9 309.106 NA KEGG NA NA +C03526 O-Sinapoylglucarolactone C11H19NO9 309.106 NA KEGG NA NA +MJ029762 9-Arabinofuranosyladenine; ?-D-form, 3'-Ac C12H15N5O5 309.107318 NA MeJP NA NA +MJ029763 Sangivamycic acid; Amide C12H15N5O5 309.107318 NA MeJP NA NA +EUR227 Sialic acid C11H19NO10 309.108475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR227 Acide sialique F1 NA 309.108475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR227 Sialic acid C11H19NO10 309.108475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR227 Acide sialique F1 NA 309.108475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR227 Sialic acid C11H19NO10 309.108475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR227 Acide sialique F1 NA 309.108475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR227 Sialic acid C11H19NO10 309.108475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR227 Sialic acid C11H19NO10 309.108475 standards wishlist analysés sur QTOF HMDB NA NA +EUR227 Sialic acid C11H19NO10 309.108475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR227 Acide sialique F1 NA 309.108475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR227 Sialic acid C11H19NO10 309.108475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR227 Sialic acid C11H19NO10 309.108475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ029764 Phosphinothricylalanylglycine C10H20N3O6P 309.108971 NA MeJP NA NA +MJ029765 Phosphinothricylglycylalanine C10H20N3O6P 309.108971 NA MeJP NA NA +MJ029766 8-Ethynyl-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid; Et ester C17H15N3O3 309.111341 NA MeJP NA NA +C15360 Evadol hydrochloride C16H19NO3 309.1132 NA KEGG NA NA +MJ029767 N-[5-(4,5-Dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-2-hydroxy-1-naphthalenyl]methanesulfonamide C14H19N3O3S 309.114712 NA MeJP NA NA +MJ029768 Ketotifen C19H19NOS 309.118734 NA MeJP NA NA +MJ029769 Acremoauxin B C15H19NO6 309.121237 NA MeJP NA NA +MJ029770 Esculamine C15H19NO6 309.121237 NA MeJP NA NA +MJ029771 Mescaline succinimide; 3-Hydroxy C15H19NO6 309.121237 NA MeJP NA NA +MJ029772 Sporovexin A; 2-Carboxyethylamide C15H19NO6 309.121237 NA MeJP NA NA +MJ029773 Trizoxime C16H15N5O2 309.122574 NA MeJP NA NA +MJ029774 Vibunazole C15H20ClN3O2 309.124404 NA MeJP NA NA +MJ029775 Zacopride C15H20ClN3O2 309.124404 NA MeJP NA NA +8026 synthetic peptide PHG 309.131 antibacterial Inhouse_peptide NA peptide +PJ000248 QY C14H19N3O5 309.1325 NA PeJP NA NA +MJ029776 Fluoxetine C17H18F3NO 309.134048 NA MeJP NA NA +MJ029777 1,3-Dihydroxyacridone; O3-(3-Methyl-2-butenyl), N-Me C19H19NO3 309.136493 NA MeJP NA NA +MJ029778 3,3-Diphenyl-1,4-dioxa-8-azaspiro[4,5]decan-2-one C19H19NO3 309.136493 NA MeJP NA NA +MJ029779 3-Hydroxynuciferine, 6a,7-Didehydro C19H19NO3 309.136493 NA MeJP NA NA +MJ029780 6,7,8,9,10,14-Hexadehydro-4,5-epoxy-3,6-dimethoxy-17-methylthebinan C19H19NO3 309.136493 NA MeJP NA NA +MJ029781 Anolobine, Me ether, N-Me C19H19NO3 309.136493 NA MeJP NA NA +MJ029782 Auxarconjugatin A, Dechloro C19H19NO3 309.136493 NA MeJP NA NA +MJ029783 Clausine D; Carboxylic acid, Me ester C19H19NO3 309.136493 NA MeJP NA NA +MJ029784 Constrictosine; 5,6-Dihydro, di-Me ether C19H19NO3 309.136493 NA MeJP NA NA +MJ029785 Galipoline C19H19NO3 309.136493 NA MeJP NA NA +MJ029786 Glycocitrine II C19H19NO3 309.136493 NA MeJP NA NA +MJ029787 Heptaphylline; 6-Methoxy C19H19NO3 309.136493 NA MeJP NA NA +MJ029788 Heptaphylline; 7-Methoxy C19H19NO3 309.136493 NA MeJP NA NA +MJ029789 Hypomycine C19H19NO3 309.136493 NA MeJP NA NA +MJ029790 Isopiline, Me ether, 6a,7-didehydro C19H19NO3 309.136493 NA MeJP NA NA +MJ029791 Isothebaine, 6a,7-Didehydro C19H19NO3 309.136493 NA MeJP NA NA +MJ029792 Koenigine C19H19NO3 309.136493 NA MeJP NA NA +MJ029793 Laureline C19H19NO3 309.136493 NA MeJP NA NA +MJ029794 Murrayaquinone B C19H19NO3 309.136493 NA MeJP NA NA +MJ029795 Nuciferine, N-De-Me, N-formyl C19H19NO3 309.136493 NA MeJP NA NA +MJ029796 Nuciferine, O2,N-Di-de-Me, N-Ac C19H19NO3 309.136493 NA MeJP NA NA +MJ029797 Pachypodanthine; N-Me C19H19NO3 309.136493 NA MeJP NA NA +MJ029798 Podocarpamide; Demethoxy C19H19NO3 309.136493 NA MeJP NA NA +MJ029799 Pukateine, Me ether C19H19NO3 309.136493 NA MeJP NA NA +MJ029800 Stephalagine C19H19NO3 309.136493 NA MeJP NA NA +MJ029801 Stephanine C19H19NO3 309.136493 NA MeJP NA NA +MJ029802 Stephenanthrine; 1'?-Hydroxy C19H19NO3 309.136493 NA MeJP NA NA +MJ029803 Stephenanthrine; 8-Hydroxy C19H19NO3 309.136493 NA MeJP NA NA +MJ029804 Stephenanthrine; N-Oxide C19H19NO3 309.136493 NA MeJP NA NA +MJ029805 Zanthomamide C19H19NO3 309.136493 NA MeJP NA NA +MJ029806 Mecambroline, N-Me C19H20NO3(+) 309.136493 NA MeJP NA NA +MJ029807 Norushinsunine, N,N-Di-Me C19H20NO3(+) 309.136493 NA MeJP NA NA +C14316 SB 218655 C17H16FN5 309.139 NA KEGG NA NA +MJ029808 N-[2-(Mercaptomethyl)-1-oxo-3-phenylpropyl]leucine C16H23NO3S 309.139864 NA MeJP NA NA +MJ029809 1,2,5-Trideoxy-4-O-(?-D-glucopyranosyl)-1,5-imino-D-arabino-hexitol C12H23NO8 309.142366 NA MeJP NA NA +MJ029810 2-(Hydroxymethyl)-3,4-piperidinediol, 3-O-?-D-Glucopyranosyl C12H23NO8 309.142366 NA MeJP NA NA +MJ029811 2-(Hydroxymethyl)-3,4-piperidinediol, 4-O-?-D-Glucopyranosyl C12H23NO8 309.142366 NA MeJP NA NA +PJ000249 GPH C13H19N5O4 309.1437 NA PeJP NA NA +C17380 Diacetylaminoazotoluene C18H19N3O2 309.1477 NA KEGG NA NA +MJ029812 Diacetazotol C18H19N3O2 309.147726 NA MeJP NA NA +MJ029813 Irampanel C18H19N3O2 309.147726 NA MeJP NA NA +MJ029814 Nerisopam C18H19N3O2 309.147726 NA MeJP NA NA +MJ029815 Metixene C20H23NS 309.15512 NA MeJP NA NA +7691 ACE inhibitor from wakame KY 309.157 antioxidative Inhouse_peptide NA peptide +7697 ACE inhibitor from wakame YK 309.157 antioxidative Inhouse_peptide NA peptide +C10304 Fulvine C16H23NO5 309.1576 NA KEGG NA NA +MJ029816 Assamicadine C16H23NO5 309.157622 NA MeJP NA NA +MJ029817 Coronafacic acid, L-Threonine amide C16H23NO5 309.157622 NA MeJP NA NA +MJ029818 Crotaleschenine C16H23NO5 309.157622 NA MeJP NA NA +MJ029819 Fulvine C16H23NO5 309.157622 NA MeJP NA NA +MJ029820 Sinapine C16H24NO5(+) 309.157622 NA MeJP NA NA +MJ029821 Bazinaprine C17H19N5O 309.15896 NA MeJP NA NA +2934 myelopeptide LVCYPQ 309.1625 MH2+ Inhouse_peptide NA peptide +C10967 Fluperlapine C19H20FN3 309.1641 NA KEGG NA NA +MJ029822 Fluperlapine C19H20FN3 309.164125 NA MeJP NA NA +MJ029823 Gevotroline C19H20FN3 309.164125 NA MeJP NA NA +MJ029824 Safironil C15H23N3O4 309.168856 NA MeJP NA NA +PJ000250 KY C15H23N3O4 309.1689 NA PeJP NA NA +MJ029825 4-(2-Aminoethyl)phenol; O-(3-Methyl-2-butenyl), N-benzoyl C20H23NO2 309.172878 NA MeJP NA NA +MJ029826 Amolanone C20H23NO2 309.172878 NA MeJP NA NA +MJ029827 Atherosperminine C20H23NO2 309.172878 NA MeJP NA NA +MJ029828 Carbazoquinocin; Carbazoquinocin B C20H23NO2 309.172878 NA MeJP NA NA +MJ029829 Carbazoquinocin; Carbazoquinocin C C20H23NO2 309.172878 NA MeJP NA NA +MJ029830 Ciheptolane C20H23NO2 309.172878 NA MeJP NA NA +MJ029831 Dioxadrol C20H23NO2 309.172878 NA MeJP NA NA +MJ029832 Zanthosimuline C20H23NO2 309.172878 NA MeJP NA NA +3523 ACE inhibitor LYPVK 309.1805 MH2+ Inhouse_peptide NA peptide +MJ029833 Benzydamine C19H23N3O 309.184112 NA MeJP NA NA +MJ029834 Clofenciclan C18H28ClNO 309.185942 NA MeJP NA NA +CJpos0732 Octanoylcarnitine [(M+Na)]+ C15H29NNaO4 309.191075 C18rt(min)=7.86 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0733 Octanoylcarnitine isomer [(M+Na)]+ C15H29NNaO4 309.191075 C18rt(min)=7.5 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0732 Octanoylcarnitine [(M+Na)]+ C15H29NNaO4 309.191075 C18rt(min)=7.86 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0733 Octanoylcarnitine isomer [(M+Na)]+ C15H29NNaO4 309.191075 C18rt(min)=7.5 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ029835 Silabudipine C20H27NSi 309.191276 NA MeJP NA NA +CJpos0730 Decadienylcarnitine isomer 1 [(M+H)]+ C17H28NO4 309.193475 C18rt(min)=7.66 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0731 Decadienylcarnitine isomer 2 [(M+H)]+ C17H28NO4 309.193475 C18rt(min)=7.88 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0730 Decadienylcarnitine isomer 1 [(M+H)]+ C17H28NO4 309.193475 C18rt(min)=7.66 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0731 Decadienylcarnitine isomer 2 [(M+H)]+ C17H28NO4 309.193475 C18rt(min)=7.88 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C07915 Metipranolol C17H27NO4 309.194 NA KEGG NA NA +C07916 Transferred to D00758 C17H27NO4 309.194 NA KEGG NA NA +C07917 Transferred to D00759 C17H27NO4 309.194 NA KEGG NA NA +C07918 Transferred to D00760 C17H27NO4 309.194 NA KEGG NA NA +MJ029836 Lanomycin C17H27NO4 309.194008 NA MeJP NA NA +MJ029837 Metipranolol C17H27NO4 309.194008 NA MeJP NA NA +MJ029838 Nadolol C17H27NO4 309.194008 NA MeJP NA NA +MJ029839 Nobiline; 6-Hydroxy C17H27NO4 309.194008 NA MeJP NA NA +MJ029840 Isoleucylamiclenomycin C16H27N3O3 309.205241 NA MeJP NA NA +MJ029841 Stravidin S2 C16H27N3O3 309.205241 NA MeJP NA NA +MJ029842 2-(3,7-Dimethyl-2,6-octadienyl)-3-methyl-4(1H)-quinolinone, N-Me C21H27NO 309.209264 NA MeJP NA NA +MJ029843 ?-Methyl-?,?-diphenyl-1-piperidinepropanol C21H27NO 309.209264 NA MeJP NA NA +MJ029844 Benproperine C21H27NO 309.209264 NA MeJP NA NA +MJ029845 Difenidol C21H27NO 309.209264 NA MeJP NA NA +MJ029846 Holonamine; 11-Deoxy C21H27NO 309.209264 NA MeJP NA NA +MJ029847 Isomethadone C21H27NO 309.209264 NA MeJP NA NA +MJ029848 Malarboreine C21H27NO 309.209264 NA MeJP NA NA +MJ029849 Methadone C21H27NO 309.209264 NA MeJP NA NA +MJ029850 Pseudopteroxazole C21H27NO 309.209264 NA MeJP NA NA +MJ029851 Pulo'upone C21H27NO 309.209264 NA MeJP NA NA +C06961 Diphenidol C21H27NO 309.2093 NA KEGG NA NA +C06962 Transferred to D00301 C21H27NO 309.2093 NA KEGG NA NA +C07163 Methadone C21H27NO 309.2093 NA KEGG NA NA +MJ029852 2-Amino-5,13-tetradecadien-3-ol, N,O-Di-Ac C18H31NO3 309.230393 NA MeJP NA NA +C10608 Palustrine C17H31N3O2 309.2416 NA KEGG NA NA +MJ029853 Palustrine C17H31N3O2 309.241627 NA MeJP NA NA +MJ029854 Holaromine C22H31N 309.245649 NA MeJP NA NA +MJ029855 Allopumiliotoxin 309D C19H35NO2 309.266779 NA MeJP NA NA +MJ029856 Dicycloverine C19H35NO2 309.266779 NA MeJP NA NA +C06951 Dicyclomine C19H35NO2 309.2668 NA KEGG NA NA +C06952 Transferred to D00295 C19H35NO2 309.2668 NA KEGG NA NA +MJ029857 Pyrrolidine; N-Hexadecanoyl C20H39NO 309.303164 NA MeJP NA NA +MJ029858 2-Methyl-6-pentadecylpiperidine C21H43N 309.33955 NA MeJP NA NA +7870 peptide from sauce of blue mussel (Mytilus edulis) FGHPY 309.631 MH2+ Inhouse_peptide NA peptide +7556 ACE inhibitor from spinach YPLDL 309.65495 MH2+ Inhouse_peptide NA peptide +MJ029859 1,1,3-Tribromo-3-chloro-1-propene C3H2Br3Cl 309.739515 NA MeJP NA NA +C08136 Tricalcium phosphate 2PO4 309.7946 NA KEGG NA NA +C08137 Transferred to D00939 2PO4 309.7946 NA KEGG NA NA +C08139 Transferred to D00941 2PO4 309.7946 NA KEGG NA NA +C08140 Transferred to D00942 2PO4 309.7946 NA KEGG NA NA +MJ029860 1,4-Bis(trichloromethyl)benzene C8H4Cl6 309.844416 NA MeJP NA NA +MJ029861 3,4-Dibromo-5-hydroxymethyl-1,2-benzenediol; 1'-Me ether C8H8Br2O3 309.884019 NA MeJP NA NA +MJ029862 3,4-Dibromo-5-hydroxymethyl-1,2-benzenediol; 1-Me ether C8H8Br2O3 309.884019 NA MeJP NA NA +MJ029863 4,5-Dibromo-1H-pyrrole-2-carboxylic acid; (Methoxymethyl)amide C7H8Br2N2O2 309.895252 NA MeJP NA NA +MJ029864 Clotioxone C9H5Cl3N2O2S 309.913731 NA MeJP NA NA +HMDB11688 Ribose 1,5-bisphosphate C5H12O11P2 309.985474 NA HMDB2010 NA NA +MJ029865 D-Ribulose 1,5-bisphosphate C5H12O11P2 309.985484 NA MeJP NA NA +MetaCyc02751 ribose-1,5-bisphosphate [D-Ribose 1,5-bisphosphate;] C5H12O11P2 309.985484 NA metacyc NA NA +MetaCyc02752 D-ribulose-1,5-bisphosphate [ribulose 1,5-bisphosphate;D-ribulose-1,5-diphosphate;D-ribulose-1,5-P2;] C5H12O11P2 309.985484 14689-84-0 metacyc NA NA +C01095 D-Ribose 5-diphosphate C5H12O11P2 309.9855 NA KEGG NA NA +C01151 D-Ribose 1,5-bisphosphate C5H12O11P2 309.9855 NA KEGG NA NA +C01182 D-Ribulose 1,5-bisphosphate C5H12O11P2 309.9855 NA KEGG NA NA +MJ029866 4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol; 1-Deoxy, 1-chloro, Ac C14H11ClO2S2 309.988898 NA MeJP NA NA +MJ029867 Dibenzyl tetrasulfide C14H14S4 309.997833 NA MeJP NA NA +JH188 Naringenin [M+H]+ NA 310.0244 17.87 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH188 Naringenin [M+H]+ NA 310.0244 17.87 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH188 Naringenin [M+H]+ NA 310.0244 17.87 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH188 Naringenin [M+H]+ NA 310.0244 17.87 Inhousejuil11 NA NA +C14436 Edifenphos C14H15O2PS2 310.0251 NA KEGG NA NA +C14427 Diflubenzuron C14H9ClF2N2O2 310.0321 NA KEGG NA NA +C03683 6-Demethylsterigmatocystin C17H10O6 310.0477 NA KEGG NA NA +FLIA3CNS0001 Maximaisoflavone A C17H10O6 310.04773 59092-90-9 knapsack NA NA +FLIE1CNS0003 Flemichapparin C;3-Methoxy-8,9-methylenedioxycoumestan C17H10O6 310.04773 3862-34-8 knapsack NA NA +MJ029868 3',4',7,8-Tetrahydroxyisoflavone; 3',4':7,8-Bis(methylene) ether C17H10O6 310.047738 NA MeJP NA NA +MJ029869 Aristololide; 9-Hydroxy C17H10O6 310.047738 NA MeJP NA NA +MJ029870 Aurantricholide B C17H10O6 310.047738 NA MeJP NA NA +MJ029871 Curcapital C17H10O6 310.047738 NA MeJP NA NA +MJ029872 Medicagol; Me ether C17H10O6 310.047738 NA MeJP NA NA +MJ029873 Sterigmatin C17H10O6 310.047738 NA MeJP NA NA +MJ029874 Sterigmatocystin; O-De-Me C17H10O6 310.047738 NA MeJP NA NA +MetaCyc02753 sterigmatin [] C17H10O6 310.047738 NA metacyc NA NA +MetaCyc02754 6-demethylsterigmatocystin [] C17H10O6 310.047738 NA metacyc NA NA +MJ029875 Texacromil C14H14O6S 310.051108 NA MeJP NA NA +CJneg0513 1,7-dimethyluric acid [(M-H)+(HCOOH)+(HCOONa)]- C9H10N4NaO7 310.053125 C18rt(min)=4.96 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0513 1,7-dimethyluric acid [(M-H)+(HCOOH)+(HCOONa)]- C9H10N4NaO7 310.053125 C18rt(min)=4.96 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ029876 7-Chloro-3,4-dihydro-2,2-dimethyl-3-thioxo-1(2H)-quinoxalinecarboxylic acid; 1-Methylethenyl ester C14H15ClN2O2S 310.054276 NA MeJP NA NA +MJ029877 10-Bromo-3-laurene-7,12-diol C15H19BrO2 310.056842 NA MeJP NA NA +MJ029878 Aplysin; 13-Hydroxy C15H19BrO2 310.056842 NA MeJP NA NA +MJ029879 Filiformin; 6-Hydroxy C15H19BrO2 310.056842 NA MeJP NA NA +MJ029880 Fezatione C17H14N2S2 310.059839 NA MeJP NA NA +MetaCyc02755 5-phosphoribosyl-4,5-aminoimidazole [] C8H15N4O7P1 310.067835 NA metacyc NA NA +MJ029881 2-Hydroxy-2-(hydroxymethyl)butanedioic acid, 1'-O-(4-Hydroxy-E-cinnamoyl) C14H14O8 310.068867 NA MeJP NA NA +MJ029882 2-Hydroxy-2-(hydroxymethyl)butanedioic acid, 1'-O-(4-Hydroxy-Z-cinnamoyl) C14H14O8 310.068867 NA MeJP NA NA +MJ029883 Aphloiol C14H14O8 310.068867 NA MeJP NA NA +MJ029884 Lomazarin; O6 or O7-De-Me C14H14O8 310.068867 NA MeJP NA NA +MJ029885 Malic acid, O-(4-Hydroxy-3-methoxycinnamoyl) C14H14O8 310.068867 NA MeJP NA NA +MJ029886 Sulfadimethoxine C12H14N4O4S 310.073575 NA MeJP NA NA +MJ029887 Sulfadoxine C12H14N4O4S 310.073575 NA MeJP NA NA +MJ029888 Sulfamoprine C12H14N4O4S 310.073575 NA MeJP NA NA +C07630 Sulfadoxine C12H14N4O4S 310.0736 NA KEGG NA NA +MJ029889 Acromelic acid A C13H14N2O7 310.0801 NA MeJP NA NA +MJ029890 Acromelic acid B C13H14N2O7 310.0801 NA MeJP NA NA +C10059 6-Deoxyjacareubin C18H14O5 310.0841 NA KEGG NA NA +FL3FA9NM0003 Hoslundal C18H14O5 310.08412 135404-52-3 knapsack NA NA +MJ029891 2,6,7-Trihydroxy-5H-phenanthro[4,5-bcd]pyran-5-one; Tri-Me ether C18H14O5 310.084123 NA MeJP NA NA +MJ029892 4,4'-Oxybis[3-phenyl-2-propenoic acid] C18H14O5 310.084123 NA MeJP NA NA +MJ029893 6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one C18H14O5 310.084123 NA MeJP NA NA +MJ029894 6,11-Dihydroxy-3,3-dimethyl-3H,7H-pyrano[2,3-c]xanthen-7-one C18H14O5 310.084123 NA MeJP NA NA +MJ029895 8-Methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid; Me ester C18H14O5 310.084123 NA MeJP NA NA +MJ029896 Forbexanthone; Demethoxy C18H14O5 310.084123 NA MeJP NA NA +MJ029897 Hoslundal C18H14O5 310.084123 NA MeJP NA NA +MJ029898 Hypericanarin C18H14O5 310.084123 NA MeJP NA NA +MJ029899 Hyperxanthone C18H14O5 310.084123 NA MeJP NA NA +MJ029900 Jacareubin; 9-Deoxy C18H14O5 310.084123 NA MeJP NA NA +MJ029901 Ligustrone A; 8,9-Dihydro C18H14O5 310.084123 NA MeJP NA NA +MJ029902 Osajaxanthone C18H14O5 310.084123 NA MeJP NA NA +MJ029903 Sarolactone C18H14O5 310.084123 NA MeJP NA NA +MJ029904 Tovoxanthone C18H14O5 310.084123 NA MeJP NA NA +MJ029905 Unonal; 7-Me ether C18H14O5 310.084123 NA MeJP NA NA +MJ029906 Croconazole C18H15ClN2O 310.08729 NA MeJP NA NA +C11096 Croconazole C18H15ClN2O 310.0873 NA KEGG NA NA +MJ029907 Didemnoline A; Debromo, S-oxide C16H14N4OS 310.088831 NA MeJP NA NA +MJ029908 ?-D-Glucopyranosyl(1?4)-1,5-anhydro-?-D-xylofuranose C11H18O10 310.089996 NA MeJP NA NA +MJ029909 Cyclopenin, 3'-Hydroxy C17H14N2O4 310.095356 NA MeJP NA NA +MJ029910 Antibiotic PS 8 C14H18N2O4S 310.098727 NA MeJP NA NA +7752 ACE inhibitor from shark meat hydrolysate EY 310.105 antioxidative Inhouse_peptide NA peptide +MJ029911 1-O-Cinnamoylglucose C15H18O7 310.105252 NA MeJP NA NA +MJ029912 2,3-Dihydro-5,8-dihydroxy-6-methoxy-2-hydroxymethyl-3-(2-hydroxypropyl)-1,4-naphthoquinone C15H18O7 310.105252 NA MeJP NA NA +MJ029913 2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide C15H18O7 310.105252 NA MeJP NA NA +MJ029914 2-Hydroxy-3,4-anhydroneomajacin C15H18O7 310.105252 NA MeJP NA NA +MJ029915 2-O-Cinnamoylglucose C15H18O7 310.105252 NA MeJP NA NA +MJ029916 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 7-O-(2,3-Dihydroxy-3-methylbutyl), 6-Me ether C15H18O7 310.105252 NA MeJP NA NA +MJ029917 6-O-Cinnamoylglucose; ?-D-form C15H18O7 310.105252 NA MeJP NA NA +MJ029918 Allamcidin B C15H18O7 310.105252 NA MeJP NA NA +MJ029919 Fusarubin; 4a, 10a-Dihydro, 5?-alcohol C15H18O7 310.105252 NA MeJP NA NA +MJ029920 Majucin; 4-Deoxy, 3,4-didehydro C15H18O7 310.105252 NA MeJP NA NA +MJ029921 Neoanisatin; 3-Oxo, 7-deoxy C15H18O7 310.105252 NA MeJP NA NA +MJ029922 Picrotin C15H18O7 310.105252 NA MeJP NA NA +MJ029923 Tutin; 4?-Hydroxy C15H18O7 310.105252 NA MeJP NA NA +MetaCyc02756 trans-cinnamoyl-β-D-glucoside [] C15H18O7 310.105253 NA metacyc NA NA +MetaCyc02757 1-O-trans-cinnamoyl-β-D-glucopyranose [trans-cinnamoyl β-D-glucoside;] C15H18O7 310.105253 NA metacyc NA NA +C04164 trans-Cinnamoyl beta-D-glucoside C15H18O7 310.1053 NA KEGG NA NA +C09502 Mellitoxin C15H18O7 310.1053 NA KEGG NA NA +C09528 Picrotin C15H18O7 310.1053 NA KEGG NA NA +MJ029924 Mabuterol C13H18ClF3N2O 310.105975 NA MeJP NA NA +HMDB11741 Gamma-Glutamyltyrosine C14H18N2O6 310.116486 NA HMDB2010 NA NA +MJ029925 2-Amino-1-(4-nitrophenyl)-1,3-propanediol, N-Propanoyl, O3-Ac C14H18N2O6 310.116486 NA MeJP NA NA +MJ029926 N-?-Glutamyltyrosine; L-L-form C14H18N2O6 310.116486 NA MeJP NA NA +MJ029927 Pukeleimide, 9,10-Dihydro, 10-methoxy C14H18N2O6 310.116486 NA MeJP NA NA +PJ000251 EY C14H18N2O6 310.1165 NA PeJP NA NA +MJ029928 Terfluranol C17H17F3O2 310.118064 NA MeJP NA NA +MJ029929 Lintopride C14H19ClN4O2 310.119653 NA MeJP NA NA +C15051 7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one C19H18O4 310.1205 NA KEGG NA NA +FL1B19NF0002 Castillene B C19H18O4 310.1205 126585-61-3 knapsack NA NA +FL1DHYNF0001 Ovalitenin B C19H18O4 310.1205 64280-21-3 knapsack NA NA +MJ029930 2,11-Dihydroxy-19,20-dinor-1,3,5(10),7,9(11),13-abietahexaene-6,12-dione; Me ether C19H18O4 310.120509 NA MeJP NA NA +MJ029931 2-(4-Hydroxyphenyl)-5-(1-propenyl)benzofuran; 2'-Hydroxy, 7-methoxy, 4'-Me ether C19H18O4 310.120509 NA MeJP NA NA +MJ029932 3,4-Dihydro-3,4-dimethoxy-2-phenyl-2H-furo[2,3-h]-1-benzopyran C19H18O4 310.120509 NA MeJP NA NA +MJ029933 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1-O-cinnamoyl C19H18O4 310.120509 NA MeJP NA NA +MJ029934 6,7,8,9-Tetrahydro-1,6,6-trimethylfuro[3,2-c]naphth[2,1-e]oxepine-10,12-dione C19H18O4 310.120509 NA MeJP NA NA +MJ029935 6-Hydroxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one; 6-Me ether, 3'-methoxy C19H18O4 310.120509 NA MeJP NA NA +MJ029936 6-Hydroxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one; 6-Me ether, 7-methoxy C19H18O4 310.120509 NA MeJP NA NA +MJ029937 6-Hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one; Di-Me ether C19H18O4 310.120509 NA MeJP NA NA +MJ029938 7-[2-(2,4-Dihydroxyphenyl)ethenyl]-2,2-dimethyl-2H-1-benzopyran, 5-Hydroxy C19H18O4 310.120509 NA MeJP NA NA +MJ029939 Alnusone, 10,11-Epoxide C19H18O4 310.120509 NA MeJP NA NA +MJ029940 Anolignan A C19H18O4 310.120509 NA MeJP NA NA +MJ029941 Castillene B C19H18O4 310.120509 NA MeJP NA NA +MJ029942 Curcumin; 1,2-Dihydro, bis-demethoxy C19H18O4 310.120509 NA MeJP NA NA +MJ029943 Dalrubone C19H18O4 310.120509 NA MeJP NA NA +MJ029944 Emorydone C19H18O4 310.120509 NA MeJP NA NA +MJ029945 Emycin E C19H18O4 310.120509 NA MeJP NA NA +MJ029946 Emycin F C19H18O4 310.120509 NA MeJP NA NA +MJ029947 Ephemeranthone C19H18O4 310.120509 NA MeJP NA NA +MJ029948 Eupomatenoid 11 C19H18O4 310.120509 NA MeJP NA NA +MJ029949 Fruticulin A; O-De-Me C19H18O4 310.120509 NA MeJP NA NA +MJ029950 Harringtonolide C19H18O4 310.120509 NA MeJP NA NA +MJ029951 Hortiline C19H18O4 310.120509 NA MeJP NA NA +MJ029952 Hortiolone C19H18O4 310.120509 NA MeJP NA NA +MJ029953 Isocryptotanshinone; 1-Oxo C19H18O4 310.120509 NA MeJP NA NA +MJ029954 Isotanshinone IIB C19H18O4 310.120509 NA MeJP NA NA +MJ029955 Liliflol A C19H18O4 310.120509 NA MeJP NA NA +MJ029956 Moracin C C19H18O4 310.120509 NA MeJP NA NA +MJ029957 Moracin N C19H18O4 310.120509 NA MeJP NA NA +MJ029958 Ovalitenin B C19H18O4 310.120509 NA MeJP NA NA +MJ029959 Przewaquinone A C19H18O4 310.120509 NA MeJP NA NA +MJ029960 Tanshinone II; 1-Hydroxy C19H18O4 310.120509 NA MeJP NA NA +MJ029961 Tanshinone II; 3?-Hydroxy C19H18O4 310.120509 NA MeJP NA NA +MJ029962 Tanshinone IIB C19H18O4 310.120509 NA MeJP NA NA +C05113 Porphyrin C20H14N4 310.1218 NA KEGG NA NA +C05114 Mucopolysaccharide C20H14N4 310.1218 NA KEGG NA NA +C17016 Nemertelline C20H14N4 310.1218 NA KEGG NA NA +HMDB00839 Pentaporphyrin I C20H14N4 310.121857 NA HMDB2010 NA NA +HMDB00839 Pentaporphyrin I C20H14N4 310.12186 http://www.hmdb.ca/metabolites/HMDB00839 HMDB NA NA +HMDB00839 Pentaporphyrin I C20H14N4 310.12186 HMDB00839 PFEM_hmdb_metabocards_official NA NA +MJ029963 3-(2-Chloro-11H-dibenz[b,e]azepin-11-ylidene)-N,N-dimethyl-1-propanamine C19H19ClN2 310.123676 NA MeJP NA NA +MJ029964 2-O-?-L-Fucopyranosyl-L-fucose C12H22O9 310.126382 NA MeJP NA NA +MJ029965 2-O-?-L-Rhamnopyranosyl-L-rhamnose C12H22O9 310.126382 NA MeJP NA NA +MJ029966 3-O-?-L-Fucopyranosyl-L-fucose C12H22O9 310.126382 NA MeJP NA NA +MJ029967 3-O-?-L-Rhamnopyranosyl-L-rhamnose C12H22O9 310.126382 NA MeJP NA NA +MJ029968 4-O-?-L-Rhamnopyranosyl-L-rhamnose C12H22O9 310.126382 NA MeJP NA NA +MJ029969 4-O-?-L-Fucopyranosyl-L-fucose C12H22O9 310.126382 NA MeJP NA NA +MJ029970 4-O-?-L-Rhamnopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside C12H22O9 310.126382 NA MeJP NA NA +MJ029971 4-O-?-L-Rhamnopyranosyl-L-rhamnose C12H22O9 310.126382 NA MeJP NA NA +MJ029972 6-Deoxy-2-O-?-L-rhamnopyranosyl-L-talose C12H22O9 310.126382 NA MeJP NA NA +MJ029973 6-Deoxy-4-O-(6-Deoxy-?-D-glucopyranosyl)-D-glucose C12H22O9 310.126382 NA MeJP NA NA +MJ029974 Digilanidobiose C12H22O9 310.126382 NA MeJP NA NA +MJ029975 Phyllanthose C12H22O9 310.126382 NA MeJP NA NA +MJ029976 Resorcinomycin B C13H18N4O5 310.127719 NA MeJP NA NA +MJ029977 1-Methyl-3-(2-phenylethyl)-2,4(1H,3H)-quinazolinedione; 4'-Methoxy C18H18N2O3 310.131742 NA MeJP NA NA +MJ029978 5-[(1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-propanoic acid C18H18N2O3 310.131742 NA MeJP NA NA +MJ029979 Cyclopeptine, 4'-Methoxy C18H18N2O3 310.131742 NA MeJP NA NA +MJ029980 Nuciferine, O2,N-Di-de-Me, N-carbamoyl C18H18N2O3 310.131742 NA MeJP NA NA +MJ029981 Heptolamide C15H22N2O3S 310.135113 NA MeJP NA NA +C16692 Mannopine C11H22N2O8 310.1376 NA KEGG NA NA +C16693 Plastoquinol C8H10O2 310.1376 NA KEGG NA NA +MJ029982 Mannopinic acid; 4'-Amide C11H22N2O8 310.137615 NA MeJP NA NA +MJ029983 N'-[6,9-Dihydro-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide C12H18N6O4 310.138953 NA MeJP NA NA +MJ029984 4-Hydroxycinnamyl alcohol 4-D-glucoside C16H22O6 310.141638 NA MeJP NA NA +MJ029985 2,3-Epoxy-1,4,8-trihydroxy-7(11)-eudesmen-12,8-olide, 8-Me ether C16H22O6 310.141638 NA MeJP NA NA +MJ029986 2-Decene-4,6-diyn-1-ol, O-?-D-Glucopyranoside C16H22O6 310.141638 NA MeJP NA NA +MJ029987 3-(2,4,5-Triethoxybenzoyl)propanoic acid C16H22O6 310.141638 NA MeJP NA NA +MJ029988 6-Deoxyaltrose; ?-D-Pyranose-form, Me glycoside, 2,3-di-Me, benzoyl C16H22O6 310.141638 NA MeJP NA NA +MJ029989 8-Decene-4,6-diyn-1-ol, O-?-D-Glucopyranoside C16H22O6 310.141638 NA MeJP NA NA +MJ029990 Fusarentin; 6,7-Di-Me ether C16H22O6 310.141638 NA MeJP NA NA +MJ029991 Fusarentin; 6,8-Di-Me ether C16H22O6 310.141638 NA MeJP NA NA +MJ029992 Pectinolide A C16H22O6 310.141638 NA MeJP NA NA +MJ029993 Pyrenophorol; 5-Ketone C16H22O6 310.141638 NA MeJP NA NA +MJ029994 p-Mentha-1,3,5-triene-2,5,8,9,10-pentol; 9-Tigloyl, 2-Me ether C16H22O6 310.141638 NA MeJP NA NA +MJ029995 Aplysinopsin; N1-Propanoyl C17H18N4O2 310.142975 NA MeJP NA NA +MJ029996 Alloclamide C16H23ClN2O2 310.144805 NA MeJP NA NA +MJ029997 Bifonazole C22H18N2 310.146998 NA MeJP NA NA +C16608 Demethylcitalopram C19H19FN2O 310.1481 NA KEGG NA NA +MJ029998 Dimelazine C19H22N2S 310.150369 NA MeJP NA NA +MJ029999 Pecazine C19H22N2S 310.150369 NA MeJP NA NA +MJ030000 3-(2-Pyrrolidinyl)pyridine, N-(?-D-Fructopyranos-1-yl) C15H22N2O5 310.152871 NA MeJP NA NA +MJ030001 1,14-Diisothiocyanato-1,13-tetradecadiene, 1,2-Dihydro C16H26N2S2 310.15374 NA MeJP NA NA +FL1D19NI0001 Dihydrocordoin C20H22O3 310.15689 54647-07-3 knapsack NA NA +MJ030002 1,2,3,3a,7,7a-Hexahydro-3-(3-hydroxy-4-methoxybenzyl)-7-methylene-1-vinyl-4H-inden-4-one C20H22O3 310.156894 NA MeJP NA NA +MJ030003 1-(2,4-Dihydroxyphenyl)-3-phenyl-1-propanone; 4'-O-(3-Methyl-2-butenyl) C20H22O3 310.156894 NA MeJP NA NA +MJ030004 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone; 1',2'-Didehydro C20H22O3 310.156894 NA MeJP NA NA +MJ030005 17(15?16),18(4?3)-Bisabeo-12,16-epoxy-11-hydroxy-3,5,8,11,13-abietapentaen-7-one C20H22O3 310.156894 NA MeJP NA NA +MJ030006 19-Ethyl-2,6-epoxy-1-oxa-2,5,12,15,18-cyclononadecapentaen-9-yn-4-one C20H22O3 310.156894 NA MeJP NA NA +MJ030007 2-(3,7-Dimethyl-2,6-octadienyl)-3-hydroxy-1,4-naphthoquinone C20H22O3 310.156894 NA MeJP NA NA +MJ030008 3,4',5-Trihydroxy-2-prenylstilbene; 5-Me ether C20H22O3 310.156894 NA MeJP NA NA +MJ030009 3-Ethenyl-9-methyl-3-(4-methyl-3-pentenyl)-4H-furo[3,2-c][1]benzopyran-4-one C20H22O3 310.156894 NA MeJP NA NA +MJ030010 3-Ethyl-2,20-dioxabicyclo[14.3.1]eicosa-3,6,9,16,19-pentaen-12-yn-18-one C20H22O3 310.156894 NA MeJP NA NA +MJ030011 4',7-Dihydroxy-8-prenylflavan C20H22O3 310.156894 NA MeJP NA NA +MJ030012 5-Hydroxy-4,6,8(13),11,14-amphilectapentaene-9,10-dione C20H22O3 310.156894 NA MeJP NA NA +MJ030013 7,16:7,20-Diepoxy-1,8,11,13-cleistanthatetraen-3-one C20H22O3 310.156894 NA MeJP NA NA +MJ030014 9,10-Dihydro-2,5,7-trihydroxy-1-prenylphenanthrene; 7-Me ether C20H22O3 310.156894 NA MeJP NA NA +MJ030015 Aegyptinone A C20H22O3 310.156894 NA MeJP NA NA +MJ030016 Aethiopinone; 1-Oxo C20H22O3 310.156894 NA MeJP NA NA +MJ030017 Avobenzone C20H22O3 310.156894 NA MeJP NA NA +MJ030018 Erycristanol A C20H22O3 310.156894 NA MeJP NA NA +MJ030019 Eryvariestyrene; ?3''-Isomer, 2''-hydroxy C20H22O3 310.156894 NA MeJP NA NA +MJ030020 Myricarborin C20H22O3 310.156894 NA MeJP NA NA +MJ030021 Nafenopin C20H22O3 310.156894 NA MeJP NA NA +MJ030022 Obtusifolin C20H22O3 310.156894 NA MeJP NA NA +MJ030023 Preethuliacoumarin C20H22O3 310.156894 NA MeJP NA NA +MJ030024 Pygmaeocin C; 11,12-Quinone C20H22O3 310.156894 NA MeJP NA NA +MJ030025 Sapriparaquinone; 2,3,4,18-Tetradehydro C20H22O3 310.156894 NA MeJP NA NA +C11371 Nafenopin C20H22O3 310.1569 NA KEGG NA NA +C15054 2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol C20H22O3 310.1569 NA KEGG NA NA +C15060 7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran C20H22O3 310.1569 NA KEGG NA NA +C00933 Sinapine C16H24NO5 310.1654 NA KEGG NA NA +C00934 Sugar phosphate C16H24NO5 310.1654 NA KEGG NA NA +MetaCyc02758 sinapoylcholine [sinapine;] C16H24N1O5 310.165448 18696-26-9 metacyc NA NA +MetaCyc02759 O-sinapoylcholine [sinapoylcholine;sinapine;] C16H24N1O5 310.165448 NA metacyc NA NA +C06530 Cupreine C19H22N2O2 310.1681 NA KEGG NA NA +C09239 Sarpagine C19H22N2O2 310.1681 NA KEGG NA NA +MJ030026 Accedine; 16-Epimer, N-de-Me C19H22N2O2 310.168127 NA MeJP NA NA +MJ030027 Accedine; N-De-Me C19H22N2O2 310.168127 NA MeJP NA NA +MJ030028 Caracurine VII C19H22N2O2 310.168127 NA MeJP NA NA +MJ030029 Cupreine C19H22N2O2 310.168127 NA MeJP NA NA +MJ030030 Eburnamine, 19-Oxo C19H22N2O2 310.168127 NA MeJP NA NA +MJ030031 Eburnamonine, N4-Oxide C19H22N2O2 310.168127 NA MeJP NA NA +MJ030032 Humantenirine; Bis(demethoxy) C19H22N2O2 310.168127 NA MeJP NA NA +MJ030033 Hydroxindasol C19H22N2O2 310.168127 NA MeJP NA NA +MJ030034 Methuenine; 16-Epimer, N-oxide C19H22N2O2 310.168127 NA MeJP NA NA +MJ030035 Methuenine; N-Oxide C19H22N2O2 310.168127 NA MeJP NA NA +MJ030036 Peraksine C19H22N2O2 310.168127 NA MeJP NA NA +MJ030037 Sarpagine C19H22N2O2 310.168127 NA MeJP NA NA +MJ030038 Silicine; 16-Epimer, 6-oxo C19H22N2O2 310.168127 NA MeJP NA NA +MJ030039 Silicine; 6-Oxo C19H22N2O2 310.168127 NA MeJP NA NA +MJ030040 Tacamonine; 17?-Hydroxy C19H22N2O2 310.168127 NA MeJP NA NA +MJ030041 Terengganensine B C19H22N2O2 310.168127 NA MeJP NA NA +MJ030042 Tetrahydroakagerine; 1,2,3,4-Tetradehydro, N-de-Me C19H22N2O2 310.168127 NA MeJP NA NA +MJ030043 Tetraphyllicine; N-De-Me, 10-Hydroxy C19H22N2O2 310.168127 NA MeJP NA NA +MJ030044 Tombozine; 16-Epimer, 6?-hydroxy C19H22N2O2 310.168127 NA MeJP NA NA +MJ030045 Trinervine C19H22N2O2 310.168127 NA MeJP NA NA +MetaCyc02760 sarpagine [] C19H22N2O2 310.168128 NA metacyc NA NA +C09622 Botrydial C17H26O5 310.178 NA KEGG NA NA +MJ030046 1,3,5-Bisabolatriene-1,7,12,15-tetrol; 12-Ac C17H26O5 310.178023 NA MeJP NA NA +MJ030047 1,3,5-Bisabolatriene-1,7,12,15-tetrol; 15-Ac C17H26O5 310.178023 NA MeJP NA NA +MJ030048 1,4-Dihydroxy-11(13)-pseudoguaien-12-oic acid, 4-Ac C17H26O5 310.178023 NA MeJP NA NA +MJ030049 1-(2,5-Dihydroxyphenyl)-1,2-propanediol, 1-Et, 5'-Me ether, 2'-O-(2-methylbutanoyl) C17H26O5 310.178023 NA MeJP NA NA +MJ030050 2,4-Dihydroxy-12,8-pseudoguaianolide, 2-Ac C17H26O5 310.178023 NA MeJP NA NA +MJ030051 3,4-Dihydroxy-11(13)-eudesmen-12-oic acid, 3-Ac C17H26O5 310.178023 NA MeJP NA NA +MJ030052 3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 6,8-Di-Me ether C17H26O5 310.178023 NA MeJP NA NA +MJ030053 3,8,14-Trihydroxy-6-lactaren-5,14-olide, 14-Ketone, 5?-alcohol, 3-Et ether C17H26O5 310.178023 NA MeJP NA NA +MJ030054 3,8,14-Trihydroxy-6-lactaren-5,14-olide, 3-Et ether C17H26O5 310.178023 NA MeJP NA NA +MJ030055 4,15-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro, 15-Ac C17H26O5 310.178023 NA MeJP NA NA +MJ030056 4,15-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro, 4-Ac C17H26O5 310.178023 NA MeJP NA NA +MJ030057 6,8,10-Trihydroxy-7(11)-eremophilen-12,8-olide, 6,8-Di-Me ether C17H26O5 310.178023 NA MeJP NA NA +MJ030058 6-(4,6-Decadienyl)-3,6-dihydro-6-methoxy-1,2-dioxin-3-acetic acid C17H26O5 310.178023 NA MeJP NA NA +MJ030059 9(12)-Capnellene-2,5,8,10-tetrol, 8-Ac C17H26O5 310.178023 NA MeJP NA NA +MJ030060 9(12)-Capnellene-3,8,10,14-tetrol, 3-Ac C17H26O5 310.178023 NA MeJP NA NA +MJ030061 9(12)-Capnellene-3,8,10,14-tetrol, 8-Ac C17H26O5 310.178023 NA MeJP NA NA +MJ030062 Albocycline; 18-Hydroxy, O-de-Me C17H26O5 310.178023 NA MeJP NA NA +MJ030063 Botryaloic acid; 15-Aldehyde, 1,8,9-triepimer, 4-Ac C17H26O5 310.178023 NA MeJP NA NA +MJ030064 Botryaloic acid; 15-Aldehyde, 1-epimer, 4-Ac C17H26O5 310.178023 NA MeJP NA NA +MJ030065 Botryaloic acid; 15-Aldehyde, 4-Ac C17H26O5 310.178023 NA MeJP NA NA +MJ030066 Botryaloic acid; 15-Aldehyde, 8,9-diepimer, 4-Ac C17H26O5 310.178023 NA MeJP NA NA +MJ030067 Cytosporin C C17H26O5 310.178023 NA MeJP NA NA +MJ030068 Deacetyldihydrobotrydial; 10-Ketone(lactone), 4-Ac C17H26O5 310.178023 NA MeJP NA NA +MJ030069 Hymenoxon; 3,4-Di-Me ether C17H26O5 310.178023 NA MeJP NA NA +MJ030070 Hymenoxon; 4-Et ether C17H26O5 310.178023 NA MeJP NA NA +MJ030071 Teucrein; O1-De-Ac, O1-(3-methylbutanoyl) C17H26O5 310.178023 NA MeJP NA NA +MJ030072 3,4,13-Trihydroxylupanine, O13-Me C16H26N2O4 310.189257 NA MeJP NA NA +MJ030073 Cetamolol C16H26N2O4 310.189257 NA MeJP NA NA +MJ030074 Pamatolol C16H26N2O4 310.189257 NA MeJP NA NA +MJ030075 Termisine, 14-Aldehyde, 10?-hydroxy C16H26N2O4 310.189257 NA MeJP NA NA +MJ030076 7-[7-(3-Furanyl)-4-methyl-1,4-heptadienyl]-4,5,6,7-tetrahydro-7-methylbenzofuran C21H26O2 310.19328 NA MeJP NA NA +MJ030077 Altrenogest C21H26O2 310.19328 NA MeJP NA NA +MJ030078 Cannabidinodiol C21H26O2 310.19328 NA MeJP NA NA +MJ030079 Cannabifuran C21H26O2 310.19328 NA MeJP NA NA +MJ030080 Cannabinol C21H26O2 310.19328 NA MeJP NA NA +MJ030081 Falconensone A C21H26O2 310.19328 NA MeJP NA NA +MJ030082 Frondosin C C21H26O2 310.19328 NA MeJP NA NA +MJ030083 Gestodene C21H26O2 310.19328 NA MeJP NA NA +MJ030084 Longithorol E C21H26O2 310.19328 NA MeJP NA NA +MJ030085 Longithorone B C21H26O2 310.19328 NA MeJP NA NA +MJ030086 Longithorone D C21H26O2 310.19328 NA MeJP NA NA +MJ030087 Mestranol C21H26O2 310.19328 NA MeJP NA NA +MJ030088 Plomestane C21H26O2 310.19328 NA MeJP NA NA +MJ030089 Prionitin C21H26O2 310.19328 NA MeJP NA NA +C07580 Cannabinol C21H26O2 310.1933 NA KEGG NA NA +C07618 Mestranol C21H26O2 310.1933 NA KEGG NA NA +CJpos0736 Octanoylcarnitine [(M+Na)]+ (13C) C1413CH29NNaO4 310.194375 C18rt(min)=7.86 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0736 Octanoylcarnitine [(M+Na)]+ (13C) C1413CH29NNaO4 310.194375 C18rt(min)=7.86 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJpos0734 Decadienylcarnitine isomer 1 [(M+H)]+ (13C) C1613CH28NO4 310.196775 C18rt(min)=7.66 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0735 Decadienylcarnitine isomer 2 [(M+H)]+ (13C) C1613CH28NO4 310.196775 C18rt(min)=7.88 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0734 Decadienylcarnitine isomer 1 [(M+H)]+ (13C) C1613CH28NO4 310.196775 C18rt(min)=7.66 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0735 Decadienylcarnitine isomer 2 [(M+H)]+ (13C) C1613CH28NO4 310.196775 C18rt(min)=7.88 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C09214 Ibogaine C20H26N2O 310.2045 NA KEGG NA NA +C09274 Tabernanthine C20H26N2O 310.2045 NA KEGG NA NA +C10130 Astrocasine C20H26N2O 310.2045 NA KEGG NA NA +MJ030090 Anilopam C20H26N2O 310.204513 NA MeJP NA NA +MJ030091 Aristolarine; Deoxy C20H26N2O 310.204513 NA MeJP NA NA +MJ030092 Aristolasicone; 15-Alcohol C20H26N2O 310.204513 NA MeJP NA NA +MJ030093 Aristoteline, 17-Hydroxy C20H26N2O 310.204513 NA MeJP NA NA +MJ030094 Aspidofractinine, 12-Methoxy C20H26N2O 310.204513 NA MeJP NA NA +MJ030095 Astrocasine C20H26N2O 310.204513 NA MeJP NA NA +MJ030096 Eburnamine, 16-Epimer, Me ether C20H26N2O 310.204513 NA MeJP NA NA +MJ030097 Eburnamine, Me ether C20H26N2O 310.204513 NA MeJP NA NA +MJ030098 Hobartine, 13-Hydroxy C20H26N2O 310.204513 NA MeJP NA NA +MJ030099 Ibogaine C20H26N2O 310.204513 NA MeJP NA NA +MJ030100 Ibogamine, 11-Methoxy C20H26N2O 310.204513 NA MeJP NA NA +MJ030101 Ivoqualine C20H26N2O 310.204513 NA MeJP NA NA +MJ030102 Mehranine C20H26N2O 310.204513 NA MeJP NA NA +MJ030103 Nitraraine; 16?,17-Dihydro C20H26N2O 310.204513 NA MeJP NA NA +MJ030104 Serratoline C20H26N2O 310.204513 NA MeJP NA NA +MJ030105 Tasmanine C20H26N2O 310.204513 NA MeJP NA NA +MJ030106 Voaphylline, N-Me C20H26N2O 310.204513 NA MeJP NA NA +MJ030107 Antirhine; natural-form, N?-Me C20H27N2O(+) 310.204513 NA MeJP NA NA +MJ030108 Melinonine B C20H27N2O(+) 310.204513 NA MeJP NA NA +MJ030109 Toxiferine III C20H27N2O(+) 310.204513 NA MeJP NA NA +MJ030110 Yohimbol; Nb-Me C20H27N2O(+) 310.204513 NA MeJP NA NA +C04785 13(S)-HPOT C18H30O4 310.2144 NA KEGG NA NA +C07357 (9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid C18H30O4 310.2144 NA KEGG NA NA +C15753 Dihydroalbocycline C18H30O4 310.2144 NA KEGG NA NA +C16321 9(S)-HPOT C18H30O4 310.2144 NA KEGG NA NA +C16341 2(R)-HPOT C18H30O4 310.2144 NA KEGG NA NA +MJ030111 10,11-Dihydroxy-6,8,12-octadecatrienoic acid C18H30O4 310.214409 NA MeJP NA NA +MJ030112 12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid C18H30O4 310.214409 NA MeJP NA NA +MJ030113 12-Nor-8,11-drimanediol, Di-Ac C18H30O4 310.214409 NA MeJP NA NA +MJ030114 2,6,10-Farnesatrien-1-oic acid; 2,3-Dihydroxypropyl ester C18H30O4 310.214409 NA MeJP NA NA +MJ030115 3-(11-Dodecenylidene)dihydro-4,5-dihydroxy-5-methyl-2(3H)-furanone, 5-Me ether C18H30O4 310.214409 NA MeJP NA NA +MJ030116 6-Geranyl-4-hydroxy-3-(2-hydroxypropyl)-2-pyrone C18H30O4 310.214409 NA MeJP NA NA +MJ030117 7,8-Dihydroxy-14,15-dinor-11-labden-13-one, 6?-Hydroxy C18H30O4 310.214409 NA MeJP NA NA +MJ030118 Ecklonialactone C; 6,7-Dihydro C18H30O4 310.214409 NA MeJP NA NA +MJ030119 Haterumadioxin A C18H30O4 310.214409 NA MeJP NA NA +MJ030120 Lachnelluloic acid C18H30O4 310.214409 NA MeJP NA NA +MJ030121 Pironetin; O-De-Me C18H30O4 310.214409 NA MeJP NA NA +MJ030122 Secoisoobtusilactone C18H30O4 310.214409 NA MeJP NA NA +MetaCyc02761 (9Z,11E,14Z)-(13S)-hydroperoxyoctadeca-(9,11,14)-trienoate [] C18H30O4 310.214409 NA metacyc NA NA +MetaCyc02762 13(S)-hydroperoxylinolenate [13(S)-hydroperoxylinolenic acid;hydroperoxylinolenic acid;13S-hydroperoxy-9(Z),11(E),15(Z)-octadecatrienoic acid;] C18H30O4 310.214409 NA metacyc NA NA +HMDB13623 12(13)Ep-9-KODE C18H30O4 310.214417 NA HMDB2010 NA NA +MJ030123 3-(10-Phenyldecyl)phenol C22H30O 310.229665 NA MeJP NA NA +MJ030124 Desogestrel C22H30O 310.229665 NA MeJP NA NA +MJ030125 Tanzanene C22H30O 310.229665 NA MeJP NA NA +MJ030126 Uvarisesquiterpene B C22H30O 310.229665 NA MeJP NA NA +MetaCyc02763 14'-apo-β-carotenal [5,9-dimethyl-11-[(2,6,6-trimethyl-1-cyclohexenyl)]undeca-2,4,6, 8,10-pentaenal;] C22H30O1 310.229666 NA metacyc NA NA +C06734 14'-apo-beta-Carotenal C22H30O 310.2297 NA KEGG NA NA +C07629 Desogestrel C22H30O 310.2297 NA KEGG NA NA +MJ030127 Flustramine E; N8-(3-Methyl-2-butenyl), debromo C21H30N2 310.240898 NA MeJP NA NA +MJ030128 2,5-Epoxy-6,10,14-trimethyl-9,13-pentadecadiene-2,6-diol; 2-Me ether C19H34O3 310.250794 NA MeJP NA NA +MJ030129 2-Hydroxy-2,4-dimethyl-5-(1,3,5,7-tetramethylnonyl)-3(2H)-furanone C19H34O3 310.250794 NA MeJP NA NA +MJ030130 2-Hydroxysterculic acid C19H34O3 310.250794 NA MeJP NA NA +MJ030131 7-Oxo-11-octadecenoic acid, Me ester C19H34O3 310.250794 NA MeJP NA NA +MJ030132 9-Methylene-8-oxoheptadecanoic acid; Me ester C19H34O3 310.250794 NA MeJP NA NA +MJ030133 Dihydro-4-hydroxy-5-methyl-3-tetradecylidene-2(3H)-furanone C19H34O3 310.250794 NA MeJP NA NA +MJ030134 Majoranolide C19H34O3 310.250794 NA MeJP NA NA +MJ030135 Methoprene, ANSI C19H34O3 310.250794 NA MeJP NA NA +C14308 Methoprene C19H34O3 310.2508 NA KEGG NA NA +MJ030136 Des-A-26-nor-5,7,9-lupatriene C23H34 310.266051 NA MeJP NA NA +HMDB02231 Eicosenoic acid C20H38O2 310.28717 http://www.hmdb.ca/metabolites/HMDB02231 HMDB NA NA +HMDB02231 Eicosenoic acid C20H38O2 310.28717 HMDB02231 PFEM_hmdb_metabocards_official NA NA +HMDB02231 Eicosenoic acid C20H38O2 310.28717 NA HMDB2010 NA NA +MJ030137 11-Eicosenoic acid C20H38O2 310.28718 NA MeJP NA NA +MJ030138 11-Octadecen-1-ol, Ac C20H38O2 310.28718 NA MeJP NA NA +MJ030139 12-Eicosenoic acid C20H38O2 310.28718 NA MeJP NA NA +MJ030140 13-Cycloheptyltridecanoic acid C20H38O2 310.28718 NA MeJP NA NA +MJ030141 13-Eicosenoic acid C20H38O2 310.28718 NA MeJP NA NA +MJ030142 13-Octadecenoic acid, Et ester C20H38O2 310.28718 NA MeJP NA NA +MJ030143 15-Eicosenoic acid C20H38O2 310.28718 NA MeJP NA NA +MJ030144 16-Methyl-9-nonadecenoic acid C20H38O2 310.28718 NA MeJP NA NA +MJ030145 20-Hydroxyeicosanoic acid; Lactone C20H38O2 310.28718 NA MeJP NA NA +MJ030146 4,6-Eicosanedione C20H38O2 310.28718 NA MeJP NA NA +MJ030147 5,7-Eicosanedione C20H38O2 310.28718 NA MeJP NA NA +MJ030148 5-Eicosenoic acid C20H38O2 310.28718 NA MeJP NA NA +MJ030149 6,8-Eicosanedione C20H38O2 310.28718 NA MeJP NA NA +MJ030150 7-Hexadecen-1-ol, Butanoyl C20H38O2 310.28718 NA MeJP NA NA +MJ030151 8,15-Labdanediol C20H38O2 310.28718 NA MeJP NA NA +MJ030152 9-Eicosenoic acid C20H38O2 310.28718 NA MeJP NA NA +MJ030153 9-Octadecenoic acid, Et ester C20H38O2 310.28718 NA MeJP NA NA +MJ030154 Siphonarienolone C20H38O2 310.28718 NA MeJP NA NA +MetaCyc02764 phytanate [] C20H38O2 310.28718 NA metacyc NA NA +C02064 Prostanoic acid C20H38O2 310.2872 NA KEGG NA NA +C02065 Protein alanine C4H6N2O2R2 310.2872 NA KEGG NA NA +C16526 Icosenoic acid C20H38O2 310.2872 NA KEGG NA NA +MJ030155 5-(12-Aminotridecyl)hexahydropyrrolo[2,1-b]oxazole C19H38N2O 310.298413 NA MeJP NA NA +MJ030156 2-Methylheneicosane C22H46 310.359951 NA MeJP NA NA +MJ030157 Docosane C22H46 310.359951 NA MeJP NA NA +2861 fragment of human as1-casein YVPFP 310.6515 MH2+ Inhouse_peptide NA peptide +MJ030158 Lissoclinotoxin A; O-De-Me C8H9NO2S5 310.923681 NA MeJP NA NA +MJ030159 Phenarsone sulfoxylate C7H10AsNO6S 310.944479 NA MeJP NA NA +MJ030160 Bromosulbactam C8H10BrNO5S 310.946305 NA MeJP NA NA +MJ030161 Brofezil C12H10BrNO2S 310.961561 NA MeJP NA NA +MJ030162 Lodoxamide C11H6ClN3O6 310.994512 NA MeJP NA NA +C11100 Flurochloridone C12H10Cl2F3NO 311.0092 NA KEGG NA NA +MJ030163 8-(Trifluoromethyl)-10H-phenothiazine-1-carboxylic acid C14H8F3NO2S 311.022783 NA MeJP NA NA +CJneg0514 Indoleacetic acid [(M-H)+2(HCOONa)]- C12H10NNa2O6 311.038725 C18rt(min)=7.36 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0514 Indoleacetic acid [(M-H)+2(HCOONa)]- C12H10NNa2O6 311.038725 C18rt(min)=7.36 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ030164 Diflumidone C14H11F2NO3S 311.04277 NA MeJP NA NA +MJ030165 3,4-Methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid C16H9NO6 311.042987 NA MeJP NA NA +PJ000252 SCC C9H17N3O5S2 311.061 NA PeJP NA NA +MJ030166 Aristolactam C II; 9-Hydroxy, O2-de-Me C17H13NO5 311.079372 NA MeJP NA NA +MJ030167 Furoparadine C17H13NO5 311.079372 NA MeJP NA NA +MJ030168 4-Hydroxybenzyl isothiocyanate; O-?-L-Rhamnopyranoside C14H17NO5S 311.082743 NA MeJP NA NA +MJ030169 Alatrioprilat C14H17NO5S 311.082743 NA MeJP NA NA +MJ030170 Mitoclomine C16H19Cl2NO 311.084369 NA MeJP NA NA +MJ030171 Ecomustine C10H18ClN3O6 311.088413 NA MeJP NA NA +C14568 Bromobutide C15H22BrNO 311.0885 NA KEGG NA NA +MJ030172 Cassiadinine C16H13N3O4 311.090605 NA MeJP NA NA +MJ030173 Nitraquazone C16H13N3O4 311.090605 NA MeJP NA NA +MJ030174 Dipyrone C13H17N3O4S 311.093976 NA MeJP NA NA +C16610 Citalopram propionic acid C18H14FNO3 311.0958 NA KEGG NA NA +C01855 Taxiphyllin C14H17NO7 311.1005 NA KEGG NA NA +C05143 Dhurrin C14H17NO7 311.1005 NA KEGG NA NA +C05144 (beta-D-Mannuronate)n C14H17NO7 311.1005 NA KEGG NA NA +C08330 p-Glucosyloxymandelonitrile C14H17NO7 311.1005 NA KEGG NA NA +C08345 Zierin C14H17NO7 311.1005 NA KEGG NA NA +MJ030175 Dhurrin C14H17NO7 311.100501 NA MeJP NA NA +MJ030176 (2,4-Dihydroxyphenyl)acetic acid; Nitrile, 2-O-?-D-glucopyranoside C14H17NO7 311.100501 NA MeJP NA NA +MJ030177 2-(Glucopyranosyloxy)-2-(4-hydroxyphenyl)acetonitrile C14H17NO7 311.100501 NA MeJP NA NA +MJ030178 2-Hydroxy-2-(3-hydroxyphenyl)acetic acid, Nitrile, 2-O-?-D-glucopyranoside C14H17NO7 311.100501 NA MeJP NA NA +MJ030179 2-Hydroxy-2-(4-hydroxyphenyl)acetic acid, Nitrile, 4-O-?-D-glucopyranoside C14H17NO7 311.100501 NA MeJP NA NA +MJ030180 4-Amino-2,3-dihydroxy-2-methylbutanoic acid, N-(3,4-Dihydroxycinnamoyl)(E-) C14H17NO7 311.100501 NA MeJP NA NA +MetaCyc02765 taxiphyllin [] C14H17N1O7 311.100502 21401-21-8 metacyc NA NA +MetaCyc02766 dhurrin [(S)-4-hydroxymandelonitrile-β-D-glucoside;β-D-glucopyranosyloxy-(S)-p-hydroxymandelonitrile;p-hydroxy-S-mandelonitrile-β-D-glucopyranoside;] C14H17N1O7 311.100502 NA metacyc NA NA +MetaCyc02767 5'-ethylthioadenosine [] C12H17N5O3S1 311.10521 NA metacyc NA NA +MJ030181 1-(1H-Indole-3-carbonyl)-?-carboline C20H13N3O 311.105862 NA MeJP NA NA +MJ030182 5-Cyano-6-methoxyindolo[2,3-a]carbazole C20H13N3O 311.105862 NA MeJP NA NA +MJ030183 Antibiotic K 252c C20H13N3O 311.105862 NA MeJP NA NA +MJ030184 Proviolacein; 5-Deoxy C20H13N3O 311.105862 NA MeJP NA NA +MJ030185 Clopipazan C19H18ClNO 311.107691 NA MeJP NA NA +MJ030186 Phytophthoradiene C13H17N3O6 311.111735 NA MeJP NA NA +MJ030187 Aminopteroic acid C14H13N7O2 311.113072 NA MeJP NA NA +MJ030188 1,2,3-Trihydroxy-5-oxonoraporphine, 1,2-Di-Me ether C18H17NO4 311.115758 NA MeJP NA NA +MJ030189 1-(4-Methoxybenzoyl)-6,7-methylenedioxyisoquinoline; 1,2-Dihydro, ?-alcohol C18H17NO4 311.115758 NA MeJP NA NA +MJ030190 5,7-Dimethoxy-4-(4-methoxyphenyl)-2(1H)-quinolinone C18H17NO4 311.115758 NA MeJP NA NA +MJ030191 Acronydine C18H17NO4 311.115758 NA MeJP NA NA +MJ030192 Actinodaphnine C18H17NO4 311.115758 NA MeJP NA NA +MJ030193 Amurine, N-De-Me C18H17NO4 311.115758 NA MeJP NA NA +MJ030194 Annocherine A; ?-Me ether C18H17NO4 311.115758 NA MeJP NA NA +MJ030195 Bulbocapnine, N-De-Me C18H17NO4 311.115758 NA MeJP NA NA +MJ030196 Carbonarin E C18H17NO4 311.115758 NA MeJP NA NA +MJ030197 Clausevatine E; 1'-Deoxy C18H17NO4 311.115758 NA MeJP NA NA +MJ030198 Clausine W; 4'-Deoxy C18H17NO4 311.115758 NA MeJP NA NA +MJ030199 Crebanine, O8,N-Di-de-Me C18H17NO4 311.115758 NA MeJP NA NA +MJ030200 Cularicine C18H17NO4 311.115758 NA MeJP NA NA +MJ030201 Discoguattine, O11-De-Me C18H17NO4 311.115758 NA MeJP NA NA +MJ030202 Discoguattine, O9-De-Me C18H17NO4 311.115758 NA MeJP NA NA +MJ030203 Discoguattine, O11-De-Me C18H17NO4 311.115758 NA MeJP NA NA +MJ030204 Domesticine, N-De-Me C18H17NO4 311.115758 NA MeJP NA NA +MJ030205 Elmerrillicine C18H17NO4 311.115758 NA MeJP NA NA +MJ030206 Erythraline, 11-Oxo C18H17NO4 311.115758 NA MeJP NA NA +MJ030207 Erythraline, 8-Oxo C18H17NO4 311.115758 NA MeJP NA NA +MJ030208 Furoclausine B C18H17NO4 311.115758 NA MeJP NA NA +MJ030209 Guatterine; 7-Epimer, N-de-Me C18H17NO4 311.115758 NA MeJP NA NA +MJ030210 Heptazolicine; 2-Hydroxy C18H17NO4 311.115758 NA MeJP NA NA +MJ030211 Isodomesticine, N-De-Me C18H17NO4 311.115758 NA MeJP NA NA +MJ030212 Laetine C18H17NO4 311.115758 NA MeJP NA NA +MJ030213 Litseferine C18H17NO4 311.115758 NA MeJP NA NA +MJ030214 Longifolonine; 4'-Me ether C18H17NO4 311.115758 NA MeJP NA NA +MJ030215 Nandigerine C18H17NO4 311.115758 NA MeJP NA NA +MJ030216 Norushinsunine, N-Me, N-oxide(?-) C18H17NO4 311.115758 NA MeJP NA NA +MJ030217 Oliveridine, 7-Epimer, N-De-Me C18H17NO4 311.115758 NA MeJP NA NA +MJ030218 Oliveridine, N-De-Me C18H17NO4 311.115758 NA MeJP NA NA +MJ030219 Oliveridine, O-De-Me C18H17NO4 311.115758 NA MeJP NA NA +MJ030220 Oliveroline, ?-N-Oxide C18H17NO4 311.115758 NA MeJP NA NA +MJ030221 Papaveroline; 3',6-Di-Me ether C18H17NO4 311.115758 NA MeJP NA NA +MJ030222 Papaveroline; 6,7-Di-Me ether C18H17NO4 311.115758 NA MeJP NA NA +MJ030223 Pukateine, 7S-Hydroxy C18H17NO4 311.115758 NA MeJP NA NA +MJ030224 Pukateine, ?-N-Oxide C18H17NO4 311.115758 NA MeJP NA NA +MJ030225 Stephadiolamine; 4,7-Diepimer, O7-Me, N-de-Me C18H17NO4 311.115758 NA MeJP NA NA +MJ030226 Stephaoxocanine; 3,4,14,15-Tetradehydro C18H17NO4 311.115758 NA MeJP NA NA +C09322 Actinodaphnine C18H17NO4 311.1158 NA KEGG NA NA +C09398 Cularicine C18H17NO4 311.1158 NA KEGG NA NA +C10629 Acronidine C18H17NO4 311.1158 NA KEGG NA NA +CJpos0737 Dimethylguanosine [(M+H)]+ C12H18N5O5 311.122375 C18rt(min)=4.71 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0737 Dimethylguanosine [(M+H)]+ C12H18N5O5 311.122375 C18rt(min)=4.71 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB01961 1,7-Dimethylguanosine C12H17N5O5 311.122955 NA HMDB2010 NA NA +HMDB04824 N2,N2-Dimethylguanosine C12H17N5O5 311.122955 NA HMDB2010 NA NA +HMDB04824 N2,N2-Dimethylguanosine C12H17N5O5 311.12296 http://www.hmdb.ca/metabolites/HMDB04824 PFEM_hmdb_metabocards_urine NA urine +HMDB04824 N2,N2-Dimethylguanosine C12H17N5O5 311.12296 http://www.hmdb.ca/metabolites/HMDB04824 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04824 N2,N2-Dimethylguanosine C12H17N5O5 311.12296 http://www.hmdb.ca/metabolites/HMDB04824 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04824 N2,N2-Dimethylguanosine C12H17N5O5 311.12296 http://www.hmdb.ca/metabolites/HMDB04824 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01961 1,7-Dimethylguanosine C12H17N5O5 311.12296 http://www.hmdb.ca/metabolites/HMDB01961 HMDB NA NA +HMDB04824 N2,N2-Dimethylguanosine C12H17N5O5 311.12296 http://www.hmdb.ca/metabolites/HMDB04824 HMDB NA NA +HMDB04824 N2,N2-Dimethylguanosine C12H17N5O5 311.12296 http://www.hmdb.ca/metabolites/HMDB04824 PFEM_hmdb_metabocards_blood NA blood +HMDB01961 1,7-Dimethylguanosine C12H17N5O5 311.12296 HMDB01961 PFEM_hmdb_metabocards_official NA NA +HMDB04824 N2,N2-Dimethylguanosine C12H17N5O5 311.12296 HMDB04824 PFEM_hmdb_metabocards_official NA NA +MJ030227 Adenine; 9H-form, 6N-Me, 9-O-?-D-glucopyranosyl C12H17N5O5 311.122968 NA MeJP NA NA +MJ030228 Guanosine; N2,N2-Di-Me C12H17N5O5 311.122968 NA MeJP NA NA +MJ030229 Lathyrine, N?-Glutamyl C12H17N5O5 311.122968 NA MeJP NA NA +MJ030230 N6-(2-Hydroxyethyl)adenosine C12H17N5O5 311.122968 NA MeJP NA NA +CJneg0515 Dimethylguanosine [(M-H)]- C12H16N5O5 311.123525 C18rt(min)=4.71 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0515 Dimethylguanosine [(M-H)]- C12H16N5O5 311.123525 C18rt(min)=4.71 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ030231 Anhydromazethramycin C17H17N3O3 311.126991 NA MeJP NA NA +MJ030232 Dehydroisolongistrobine C17H17N3O3 311.126991 NA MeJP NA NA +C05076 Imazaquin C17H17N3O3 311.127 NA KEGG NA NA +MJ030233 Metahexamide C14H21N3O3S 311.130362 NA MeJP NA NA +MJ030234 Tolazamide C14H21N3O3S 311.130362 NA MeJP NA NA +C16611 Citalopram alcohol C19H18FNO2 311.1322 NA KEGG NA NA +MJ030235 3,3',3''-[Nitrilotris(methylene)]tris[dihydro-2(3H)furanone] C15H21NO6 311.136887 NA MeJP NA NA +MJ030236 Domoic acid C15H21NO6 311.136887 NA MeJP NA NA +MJ030237 Hackelidine C15H21NO6 311.136887 NA MeJP NA NA +MJ030238 Isodomoic acid A C15H21NO6 311.136887 NA MeJP NA NA +MJ030239 Spirostaphylotrichin R; 3-Me ether C15H21NO6 311.136887 NA MeJP NA NA +C13732 Domoic acid C15H21NO6 311.1369 NA KEGG NA NA +MJ030240 Pyrrobutamine C20H22ClN 311.144077 NA MeJP NA NA +C16985 Leonurine C14H21N3O5 311.1481 NA KEGG NA NA +MJ030241 Leonurine C14H21N3O5 311.14812 NA MeJP NA NA +C06173 Thebaine C19H21NO3 311.1521 NA KEGG NA NA +C09550 Isothebaine C19H21NO3 311.1521 NA KEGG NA NA +C09611 (+)-Pronuciferine C19H21NO3 311.1521 NA KEGG NA NA +C11787 Nalorphine C19H21NO3 311.1521 NA KEGG NA NA +MJ030242 Thebaine C19H21NO3 311.152143 NA MeJP NA NA +MJ030243 1,2,10-Trimethoxyaporphine, O1-De-Me C19H21NO3 311.152143 NA MeJP NA NA +MJ030244 1,2,10-Trimethoxyaporphine, O10-De-Me C19H21NO3 311.152143 NA MeJP NA NA +MJ030245 1,2,10-Trimethoxyaporphine, O2-De-Me C19H21NO3 311.152143 NA MeJP NA NA +MJ030246 1,2,10-Trimethoxyaporphine, O10-De-Me C19H21NO3 311.152143 NA MeJP NA NA +MJ030247 11-Hydroxy-1,2-dimethoxyaporphine C19H21NO3 311.152143 NA MeJP NA NA +MJ030248 2-Hydroxy-3,8-dimethoxypavinane C19H21NO3 311.152143 NA MeJP NA NA +MJ030249 3,6-Dihydroxy-4,5-diphenyl-2-piperidinone; N,O6-Di-Me C19H21NO3 311.152143 NA MeJP NA NA +MJ030250 3-Hydroxynuciferine C19H21NO3 311.152143 NA MeJP NA NA +MJ030251 8-Methylanibacanine C19H21NO3 311.152143 NA MeJP NA NA +MJ030252 8-Methylpseudoanibacanine C19H21NO3 311.152143 NA MeJP NA NA +MJ030253 Aegeline, Me ether C19H21NO3 311.152143 NA MeJP NA NA +MJ030254 Argentinine; N-Oxide C19H21NO3 311.152143 NA MeJP NA NA +MJ030255 Cinnamolaurine, Me ether C19H21NO3 311.152143 NA MeJP NA NA +MJ030256 Clausenamide, 1'-Me ether C19H21NO3 311.152143 NA MeJP NA NA +MJ030257 Crotsparine; N,O-Di-Me C19H21NO3 311.152143 NA MeJP NA NA +MJ030258 Flindersine; 7-(3-Methyl-2-butenyloxy) C19H21NO3 311.152143 NA MeJP NA NA +MJ030259 Furoerioaustralasine C19H21NO3 311.152143 NA MeJP NA NA +MJ030260 Isopiline, Me ether C19H21NO3 311.152143 NA MeJP NA NA +MJ030261 Isopiline, N-Me C19H21NO3 311.152143 NA MeJP NA NA +MJ030262 Isothebaine C19H21NO3 311.152143 NA MeJP NA NA +MJ030263 Lemairamine C19H21NO3 311.152143 NA MeJP NA NA +MJ030264 Liridinine C19H21NO3 311.152143 NA MeJP NA NA +MJ030265 Manibacanine C19H21NO3 311.152143 NA MeJP NA NA +MJ030266 Nalorphine C19H21NO3 311.152143 NA MeJP NA NA +MJ030267 Orientine, O1-De-Me C19H21NO3 311.152143 NA MeJP NA NA +MJ030268 Pachyconfine; O2-Me C19H21NO3 311.152143 NA MeJP NA NA +MJ030269 Piperettine C19H21NO3 311.152143 NA MeJP NA NA +MJ030270 Pronuciferine C19H21NO3 311.152143 NA MeJP NA NA +MJ030271 Pseudomanibacanine C19H21NO3 311.152143 NA MeJP NA NA +MJ030272 Schelhammeridine C19H21NO3 311.152143 NA MeJP NA NA +MJ030273 Secoquettamine C19H21NO3 311.152143 NA MeJP NA NA +MJ030274 Spiroxepin C19H21NO3 311.152143 NA MeJP NA NA +MJ030275 Stipitatine C19H21NO3 311.152143 NA MeJP NA NA +MJ030276 Thebaine C19H21NO3 311.152143 NA MeJP NA NA +MJ030277 Quettamine C19H22NO3(+) 311.152143 NA MeJP NA NA +MJ030278 Viguine; N-Me C19H22NO3(+) 311.152143 NA MeJP NA NA +MetaCyc02768 thebaine [] C19H21N1O3 311.152144 NA metacyc NA NA +MJ030279 Vephylline C13H21N5O4 311.159354 NA MeJP NA NA +MJ030280 Xanthinol C13H21N5O4 311.159354 NA MeJP NA NA +PJ000253 GVH C13H21N5O4 311.1594 NA PeJP NA NA +MJ030281 Lysergic acid, C8-Epimer, ?-hydroxyethylamide C18H21N3O2 311.163376 NA MeJP NA NA +MJ030282 Lysergic acid, ?-Hydroxyethylamide C18H21N3O2 311.163376 NA MeJP NA NA +C10931 Butachlor C17H26ClNO2 311.1652 NA KEGG NA NA +C14517 Pretilachlor C17H26ClNO2 311.1652 NA KEGG NA NA +PJ000254 HR C12H21N7O3 311.1706 NA PeJP NA NA +MJ030283 Talsupram C20H25NS 311.17077 NA MeJP NA NA +3524 ACE inhibitor (from bovine beta-CN) VPP 311.172 ACE inhibitor Inhouse_peptide NA peptide +MJ030284 7-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-(2-Carbethoxy-3-methyl-2-butenoyl) C16H25NO5 311.173272 NA MeJP NA NA +MJ030285 Aspersitin; 2'-Epimer, N-(2-hydroxyethyl) C16H25NO5 311.173272 NA MeJP NA NA +MJ030286 Crocandine C16H25NO5 311.173272 NA MeJP NA NA +MJ030287 Hordenine; O-?-L-Rhamnopyranoside C16H25NO5 311.173272 NA MeJP NA NA +MJ030288 Retusine C16H25NO5 311.173272 NA MeJP NA NA +MJ030289 Wasabidienone D; N-Hydroxyethyl C16H25NO5 311.173272 NA MeJP NA NA +MJ030290 Noberastine C17H21N5O 311.17461 NA MeJP NA NA +MJ030291 Clodacaine C16H26ClN3O 311.17644 NA MeJP NA NA +PJ000255 PPV C15H25N3O4 311.1845 NA PeJP NA NA +C08708 Spiradine A C20H25NO2 311.1885 NA KEGG NA NA +C14174 Allocain-S C20H25NO2 311.1885 NA KEGG NA NA +C15062 17beta-Hydroxy-3-methoxyestra-1,3,5(10)-triene-17-carbonitrile C20H25NO2 311.1885 NA KEGG NA NA +MJ030292 1-Methyl-3,3-bis(3-methyl-2-butenyl)-2,4(1H,3H)-quinolinedione C20H25NO2 311.188529 NA MeJP NA NA +MJ030293 2-(3,7-Dimethyl-2,6-octadienyl)-4(1H)-quinolinone, 1'?-Hydroxy, N-Me C20H25NO2 311.188529 NA MeJP NA NA +MJ030294 2-(3,7-Dimethyl-2,6-octadienyl)-4(1H)-quinolinone, ?1'-Isomer, 3'?-hydroxy, N-Me C20H25NO2 311.188529 NA MeJP NA NA +MJ030295 Adiphenine C20H25NO2 311.188529 NA MeJP NA NA +MJ030296 Cuspareine C20H25NO2 311.188529 NA MeJP NA NA +MJ030297 Cyclamenol C20H25NO2 311.188529 NA MeJP NA NA +MJ030298 Dienogest C20H25NO2 311.188529 NA MeJP NA NA +MJ030299 Estrazinol C20H25NO2 311.188529 NA MeJP NA NA +MJ030300 Femoxetine C20H25NO2 311.188529 NA MeJP NA NA +MJ030301 Fomocaine C20H25NO2 311.188529 NA MeJP NA NA +MJ030302 Ketorfanol C20H25NO2 311.188529 NA MeJP NA NA +MJ030303 Kobusine; 11-Ketone C20H25NO2 311.188529 NA MeJP NA NA +MJ030304 Propanocaine C20H25NO2 311.188529 NA MeJP NA NA +MJ030305 Spiradine B; 11-Ketone C20H25NO2 311.188529 NA MeJP NA NA +MJ030306 Spirasine X C20H25NO2 311.188529 NA MeJP NA NA +MJ030307 Butofilolol C17H26FNO3 311.189671 NA MeJP NA NA +MJ030308 Milacainide C19H25N3O 311.199762 NA MeJP NA NA +MJ030309 Toprilidine C19H25N3O 311.199762 NA MeJP NA NA +HMDB13325 2-trans,4-cis-Decadienoylcarnitine C17H29NO4 311.209656 NA HMDB2010 NA NA +MJ030310 Antibiotic PI 091 C17H29NO4 311.209658 NA MeJP NA NA +MJ030311 Antibiotic Y 03559J-A C17H29NO4 311.209658 NA MeJP NA NA +MJ030312 Antibiotic YM 47515 C17H29NO4 311.209658 NA MeJP NA NA +C07941 Biperiden C21H29NO 311.2249 NA KEGG NA NA +C07942 Transferred to D00780 C21H29NO 311.2249 NA KEGG NA NA +MJ030313 2-Undecyl-4(1H)-quinolinone; 5',6'-Didehydro, N-Me (Z-) C21H29NO 311.224914 NA MeJP NA NA +MJ030314 2-Undecyl-4(1H)-quinolinone; 6',7'-Didehydro, N-Me (Z-) C21H29NO 311.224914 NA MeJP NA NA +MJ030315 Biperiden C21H29NO 311.224914 NA MeJP NA NA +MJ030316 Bufenadrine C21H29NO 311.224914 NA MeJP NA NA +MJ030317 Hexbutinol C21H29NO 311.224914 NA MeJP NA NA +MJ030318 Holadienine; N-De-Me C21H29NO 311.224914 NA MeJP NA NA +MJ030319 Holonamine; 11-Deoxy, 1,2-dihydro C21H29NO 311.224914 NA MeJP NA NA +MJ030320 Isomethadol C21H29NO 311.224914 NA MeJP NA NA +MJ030321 Kalihipyran C21H29NO 311.224914 NA MeJP NA NA +MJ030322 Methadol C21H29NO 311.224914 NA MeJP NA NA +MJ030323 Pubescine C21H29NO 311.224914 NA MeJP NA NA +MJ030324 Secopseudopteroxazole C21H29NO 311.224914 NA MeJP NA NA +MJ030325 Atiprosin C20H29N3 311.236147 NA MeJP NA NA +MJ030326 2-(Aminomethyl)-2-propenoic acid; N-Tetradecanoyl C18H33NO3 311.246043 NA MeJP NA NA +MJ030327 2-Amino-5-tetradecen-3-ol, N,O-Di-Ac C18H33NO3 311.246043 NA MeJP NA NA +MJ030328 2-(Heptylamino)cyclopentaneheptanoic acid C19H37NO2 311.282429 NA MeJP NA NA +MJ030329 Cassine, N-Me C19H37NO2 311.282429 NA MeJP NA NA +MJ030330 Motuporamine B C19H41N3 311.330048 NA MeJP NA NA +2773 protease HIV 1 inhibitor LEYSI 311.6525 MH2+ Inhouse_peptide NA peptide +2776 protease HIV 1 inhibitor LLEYS 311.6525 MH2+ Inhouse_peptide NA peptide +7753 soymorphin-5 YPFVV 311.6595 MH2+ Inhouse_peptide NA peptide +MJ030331 Diiodoacetic acid C2H2I2O2 311.814416 NA MeJP NA NA +MJ030332 1,3-Diiodo-2-propanol C3H6I2O 311.850801 NA MeJP NA NA +MJ030333 2-(Dibromomethylene)octanoic acid C9H14Br2O2 311.936054 NA MeJP NA NA +MJ030334 9,9-Dibromo-8-nonenoic acid C9H14Br2O2 311.936054 NA MeJP NA NA +MJ030335 Mollisin C14H10Cl2O4 311.995614 NA MeJP NA NA +C05695 gamma-Glutamyl-Se-methylselenocysteine C9H16N2O5Se 312.0224 NA KEGG NA NA +HMDB10716 Gamma-Glutamyl-Se-methylselenocysteine C9H16N2O5Se 312.02243 NA HMDB2010 NA NA +MJ030336 gamma-Glutamyl-Se-methylselenocysteine C9H16N2O5Se 312.022443 NA MeJP NA NA +MJ030337 Sulfaclomide C12H13ClN4O2S 312.044774 NA MeJP NA NA +MJ030338 Djenkolic acid, N-Ac, S-oxide C9H16N2O6S2 312.044977 NA MeJP NA NA +MJ030339 Tartaric acid, Mono-(3,4-dihydroxycinnamoyl) C13H12O9 312.048131 NA MeJP NA NA +MJ030340 Tartaric acid, Mono(3,4-dihydroxycinnamoyl) C13H12O9 312.048131 NA MeJP NA NA +FL1CHYNS0008 Galiposin;1,3-Bis(1,3-benzodioxol-5-yl)-3-hydroxy-2-propen-1-one C17H12O6 312.06338 204397-06-8 knapsack NA NA +FL3F2CNS0003 Prosogerin A C17H12O6 312.06338 70927-54-7 knapsack NA NA +FL3FCCNS0002 5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C17H12O6 312.06338 109602-69-9 knapsack NA NA +FLIA1LNS0007 Cuneatin;Maximaisoflavone G C17H12O6 312.06338 7741-28-8 knapsack NA NA +FLIA2CNS0001 Fujikinetin C17H12O6 312.06338 38965-66-1 knapsack NA NA +FLIA3CNS0004 Maximaisoflavone E C17H12O6 312.06338 94413-09-9 knapsack NA NA +FLIAE8NS0001 Betavulgarin;2'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone C17H12O6 312.06338 51068-94-1 knapsack NA NA +FLIAE8NS0007 Irisone A;5-Hydroxy-2'-methoxy-6,7-methylenedioxyisoflavone C17H12O6 312.06338 2652-16-6 knapsack NA NA +FLIAEANS0005 Irisolone;4'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone C17H12O6 312.06338 3301-68-6 knapsack NA NA +FLIDQUNS0001 4-Deoxybryaquinone C17H12O6 312.06338 58536-20-2 knapsack NA NA +FLIDWXNS0005 3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene C17H12O6 312.06338 56296-88-9 knapsack NA NA +FLIE1CNS0004 3-Hydroxy-8,9-dimethoxycoumestan C17H12O6 312.06338 5252-40-4 knapsack NA NA +FLIE1LNS0003 Wairol;3-Hydroxy-7,9-dimethoxycoumestan;7-Hydroxy-10,12-dimethoxycoumestan C17H12O6 312.06338 77331-73-8 knapsack NA NA +FLIFWYNM0001 Boeravinone B;6a,12a-Dehydro-6,9,11-trihydroxy-10-methylrotenone C17H12O6 312.06338 114567-34-9 knapsack NA NA +FLNARNNS0003 5'-Hydroxy-7,4'-dimethoxy-5,2'-oxido-4-phenylcoumarin C17H12O6 312.06338 112078-70-3 knapsack NA NA +HMDB06552 Aflatoxin B1 C17H12O6 312.063385 NA HMDB2010 NA NA +MJ030341 1,2,3,4-Tetrahydroxyanthraquinone; 1,4-Di-Me, 2,3-methylenedioxy ether C17H12O6 312.063388 NA MeJP NA NA +MJ030342 1,2,3,8-Tetrahydroxy-7-methylanthraquinone; 1,2-Methylene, 3-Me ether C17H12O6 312.063388 NA MeJP NA NA +MJ030343 1,3,6,8-Tetrahydroxy-2-methyl-7-vinylanthraquinone C17H12O6 312.063388 NA MeJP NA NA +MJ030344 1,3-Bis(3,4-dihydroxyphenyl)-1,3-propanedione; 3,4:3',4'-Bis(methylene) ether C17H12O6 312.063388 NA MeJP NA NA +MJ030345 1,3-Dihydroxyanthraquinone-2-carboxylic acid; Di-Me ether C17H12O6 312.063388 NA MeJP NA NA +MJ030346 1,3-Dihydroxyanthraquinone-2-carboxylic acid; Et ester C17H12O6 312.063388 NA MeJP NA NA +MJ030347 1,6,8-Trihydroxy-3-propanoylanthraquinone C17H12O6 312.063388 NA MeJP NA NA +MJ030348 1,8-Dihydroxy-3-hydroxymethylanthraquinone; 1'-Ac C17H12O6 312.063388 NA MeJP NA NA +MJ030349 2',4',5',7-Tetrahydroxyisoflavone; 4',5'-Methylene, 2'-Me ether C17H12O6 312.063388 NA MeJP NA NA +MJ030350 2',5,6,7-Tetrahydroxyisoflavone; 2'-Me, 6,7-methylene ether C17H12O6 312.063388 NA MeJP NA NA +MJ030351 2',5,6,7-Tetrahydroxyisoflavone; 5-Me, 6,7-methylene ether C17H12O6 312.063388 NA MeJP NA NA +MJ030352 2,5-Dihydroxy-6-methylanthraquinone-1-carboxylic acid; Me ester C17H12O6 312.063388 NA MeJP NA NA +MJ030353 2-Acetyl-1,6,8-trihydroxy-3-methylanthraquinone C17H12O6 312.063388 NA MeJP NA NA +MJ030354 3',4',6,7-Tetrahydroxyflavone; 6-Me, 3',4'-methylene ether C17H12O6 312.063388 NA MeJP NA NA +MJ030355 3',4',6,7-Tetrahydroxyisoflavone; 3',4'-Methylene, 6-Me ether C17H12O6 312.063388 NA MeJP NA NA +MJ030356 3',4',6,7-Tetrahydroxyisoflavone; 3',4'-Methylene, 7-Me ether C17H12O6 312.063388 NA MeJP NA NA +MJ030357 3',4',7,8-Tetrahydroxyisoflavone; 3',4'-Methylene, 8-Me ether C17H12O6 312.063388 NA MeJP NA NA +MJ030358 3',4,4'-Trihydroxypulvinone C17H12O6 312.063388 NA MeJP NA NA +MJ030359 3,4,8,9-Tetrahydroxypterocarpene; 4-Me, 8,9-methylene ether C17H12O6 312.063388 NA MeJP NA NA +MJ030360 3,7,9-Trihydroxycoumestan; 7,9-Di-Me ether C17H12O6 312.063388 NA MeJP NA NA +MJ030361 3,8,9-Trihydroxycoumestan; 8,9-Di-Me ether C17H12O6 312.063388 NA MeJP NA NA +MJ030362 3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid; 3-Me ether C17H12O6 312.063388 NA MeJP NA NA +MJ030363 3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid; Me ester C17H12O6 312.063388 NA MeJP NA NA +MJ030364 4',5-Dihydroxy-6,7-methylenedioxyisoflavone; 4'-Me ether C17H12O6 312.063388 NA MeJP NA NA +MJ030365 4',5-Dihydroxy-6,7-methylenedioxyisoflavone; 5-Me ether C17H12O6 312.063388 NA MeJP NA NA +MJ030366 4-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-2-naphthalenecarboxylic acid C17H12O6 312.063388 NA MeJP NA NA +MJ030367 5,7-Dihydroxy-3',4'-methylenedioxyflavone; 7-Me ether C17H12O6 312.063388 NA MeJP NA NA +MJ030368 5,9,10-Trihydroxy-2H-pyrano[2,3,4-kl]xanthen-2-one; 4',7-Di-Me ether C17H12O6 312.063388 NA MeJP NA NA +MJ030369 6,7,8-Trihydroxyanthraquinone-2-carboxaldehyde; 6,8-Di-Me ether C17H12O6 312.063388 NA MeJP NA NA +MJ030370 8,10,11-Trihydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one; 11-Me ether C17H12O6 312.063388 NA MeJP NA NA +MJ030371 8-Methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid; 6-Hydroxy C17H12O6 312.063388 NA MeJP NA NA +MJ030372 8-Methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid; 7-Hydroxy C17H12O6 312.063388 NA MeJP NA NA +MJ030373 Achlisocoumarin III C17H12O6 312.063388 NA MeJP NA NA +MJ030374 Aflatoxin B1 C17H12O6 312.063388 NA MeJP NA NA +MJ030375 Antibiotic BE 23372M C17H12O6 312.063388 NA MeJP NA NA +MJ030376 Aspulvinone G C17H12O6 312.063388 NA MeJP NA NA +MJ030377 Boeravinone B C17H12O6 312.063388 NA MeJP NA NA +MJ030378 Bryaquinone; Deoxy C17H12O6 312.063388 NA MeJP NA NA +MJ030379 Gyroporin C17H12O6 312.063388 NA MeJP NA NA +MJ030380 Ochrolide C17H12O6 312.063388 NA MeJP NA NA +MJ030381 Scillascillin C17H12O6 312.063388 NA MeJP NA NA +MJ030382 Sterigmatocystin; 1,2-Dihydro, O-de-Me C17H12O6 312.063388 NA MeJP NA NA +MJ030383 Talosalate C17H12O6 312.063388 NA MeJP NA NA +MJ030384 Ventilatone A C17H12O6 312.063388 NA MeJP NA NA +MetaCyc02769 aflatoxin B1 [] C17H12O6 312.063388 NA metacyc NA NA +MetaCyc02770 dihydrodemethylsterigmatocystin [] C17H12O6 312.063388 NA metacyc NA NA +HMDB06552 aflatoxin B1 C17H12O6 312.06339 http://www.hmdb.ca/metabolites/HMDB06552 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06552 aflatoxin B1 C17H12O6 312.06339 http://www.hmdb.ca/metabolites/HMDB06552 HMDB NA NA +HMDB06552 aflatoxin B1 C17H12O6 312.06339 http://www.hmdb.ca/metabolites/HMDB06552 PFEM_hmdb_metabocards_blood NA blood +HMDB06552 aflatoxin B1 C17H12O6 312.06339 HMDB06552 PFEM_hmdb_metabocards_official NA NA +C02007 Aspulvinone G C17H12O6 312.0634 NA KEGG NA NA +C06800 Aflatoxin B1 C17H12O6 312.0634 NA KEGG NA NA +C10201 Betavulgarin C17H12O6 312.0634 NA KEGG NA NA +MJ030385 Lonazolac C17H13ClN2O2 312.066555 NA MeJP NA NA +C03280 Inosine-5'-carboxylate C11H12N4O7 312.0706 NA KEGG NA NA +MJ030386 Glybuthiazol C12H16N4O2S2 312.071467 NA MeJP NA NA +MJ030387 10-Bromo-1,8-epoxy-3,9-chamigradien-7-ol C15H21BrO2 312.072492 NA MeJP NA NA +MJ030388 10-Bromo-5,10:2,7-diepoxy-3(15)-chamigrene C15H21BrO2 312.072492 NA MeJP NA NA +MJ030389 Kumausyne, O-De-Ac C15H21BrO2 312.072492 NA MeJP NA NA +MJ030390 Laurencin, De-Ac C15H21BrO2 312.072492 NA MeJP NA NA +MJ030391 Prelaureatin C15H21BrO2 312.072492 NA MeJP NA NA +MJ030392 4-Hydroxy-1,6-phenazinedicarboxylic acid; Di-Me ester C16H12N2O5 312.074621 NA MeJP NA NA +MJ030393 Pentalenolactone I C15H17ClO5 312.076451 NA MeJP NA NA +MJ030394 Thienamycin; 1',2'-Didehydro, N-Ac C13H16N2O5S 312.077992 NA MeJP NA NA +MJ030395 Thienamycin; 6,8-Diepimer, 1',2'-didehydro, N-Ac C13H16N2O5S 312.077992 NA MeJP NA NA +MJ030396 Thienamycin; 8-Epimer, 1',2'-didehydro, N-Ac C13H16N2O5S 312.077992 NA MeJP NA NA +C17396 Epithienamycin B C13H16N2O5S 312.078 NA KEGG NA NA +C17398 Epithienamycin D C13H16N2O5S 312.078 NA KEGG NA NA +PARAC013 n-acetyl cysteine Paracetamol NA 312.0838 RT7.7 PFEM_hmdb_metabocards_urine NA urine +PARAC013 n-acetyl cysteine Paracetamol NA 312.0838 RT7.7 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC013 n-acetyl cysteine Paracetamol NA 312.0838 RT7.7 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC013 n-acetyl cysteine Paracetamol NA 312.0838 RT7.7 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC013 n-acetyl cysteine Paracetamol NA 312.0838 RT7.7 HMDB NA NA +PARAC013 n-acetyl cysteine Paracetamol NA 312.0838 RT7.7 Inhouse_PFEM NA NA +PARAC013 n-acetyl cysteine Paracetamol NA 312.0838 RT7.7 PFEM_hmdb_metabocards_blood NA blood +PARAC013 n-acetyl cysteine Paracetamol NA 312.0838 RT7.7 PFEM_hmdb_metabocards_official NA NA +MJ030397 Tiotidine C10H16N8S2 312.093933 NA MeJP NA NA +MetaCyc02771 pteroate [] C14H12N6O3 312.097088 119-24-4 metacyc NA NA +C07582 Pteroic acid C14H12N6O3 312.0971 NA KEGG NA NA +C07583 Transferred to D00564 C14H12N6O3 312.0971 NA KEGG NA NA +FL1C1CNS0007 3,4-Methylenedioxy-2',4'-dimethoxychalcone C18H16O5 312.09977 58344-60-8 knapsack NA NA +FL1CA9NM0006 Leridal chalcone;(E)-2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxo-3-phenyl-2-propenyl)benzaldehyde C18H16O5 312.09977 177602-75-4 knapsack NA NA +FL1CE9NS0007 Helilandin A C18H16O5 312.09977 70185-50-1 knapsack NA NA +FL1CRTNM0001 3-Formyl-4,6-dihydroxy-2-methoxy-5-methylchalcone C18H16O5 312.09977 130278-10-3 knapsack NA NA +FL2FA9NM0012 Leridal C18H16O5 312.09977 143084-65-5 knapsack NA NA +FL2FA9NM0017 Desmosflavanone II;7-Hydroxy-5-methoxy-6-methyl-8-formylflavanone C18H16O5 312.09977 219917-96-1 knapsack NA NA +FL3F1CNS0004 7,3',4'-Trimethoxyflavone C18H16O5 312.09977 22395-24-0 knapsack NA NA +FL3F1LNS0002 7,2',4'-Trimethoxyflavone;2-(2,4-Dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C18H16O5 312.09977 7578-51-0 knapsack NA NA +FL3F98NS0007 5,6,2'-Trimethoxyflavone C18H16O5 312.09977 16266-97-0 knapsack NA NA +FL3F98NS0010 6,2',3'-Trimethoxyflavone C18H16O5 312.09977 79786-41-7 knapsack NA NA +FL3F99NS0008 5,6,3'-Trimethoxyflavone C18H16O5 312.09977 17182-55-7 knapsack NA NA +FL3F9GNS0003 3',4',5'-Trimethoxyflavone;2-(3,4,5-Trimethoxyphenyl)-4H-1-benzopyran-4-one C18H16O5 312.09977 67858-30-4 knapsack NA NA +FL3FA8NM0001 5,2'-Dihydroxy-7-methoxy- 6,8-dimethylflavone;5-Hydroxy-2-(2-hydroxyphenyl)-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one C18H16O5 312.09977 188444-28-2 knapsack NA NA +FL3FA8NS0006 5,7,2'-Trimethoxyflavone;5,7-Dimethoxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one C18H16O5 312.09977 4308-57-0 knapsack NA NA +FL3FCANM0001 Sideroxylin;4',5-Dihydroxy-7-methoxy-6,8-dimethylflavone;5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one C18H16O5 312.09977 3122-87-0 knapsack NA NA +FL3FCBNM0001 8-Desmethyleucalyptin;8-Demethyleucalyptin;5-Hydroxy-7,4'-dimethoxy-6-methylflavone;5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methyl-4H-1-benzopyran-4-one C18H16O5 312.09977 5689-38-3 knapsack NA NA +FL3FDBNS0001 Apigenin 5,7,4'-trimethyl ether C18H16O5 312.09977 5631-70-9 knapsack NA NA +FL3FE9NS0006 Baicalein 5,6,7-trimethyl ether C18H16O5 312.09977 973-67-1 knapsack NA NA +FL3FF9NS0005 Norwogonin 5,7,8-trimethyl ether C18H16O5 312.09977 23050-38-6 knapsack NA NA +FL5FA9NM0005 5,7-Dihydroxy-3-methoxy-6,8-dimethylflavone C18H16O5 312.09977 79174-96-2 knapsack NA NA +FL5FA9NM0006 3,5-Dihydroxy-7-methoxy-6,8-dimethylflavone C18H16O5 312.09977 97208-73-6 knapsack NA NA +FL5FA9NS0001 Galangin 3,5,7-trimethyl ether;Galangin trimethyl ether;3,5,7-trimethoxyflavone C18H16O5 312.09977 26964-29-4 knapsack NA NA +FLIA1CNS0008 Cabreuvin;7,3',4'-Trimethoxyisoflavone C18H16O5 312.09977 1621-61-0 knapsack NA NA +FLIDWXNS0004 Bryacarpene 5;3,9,10-Trimethoxypterocarpene C18H16O5 312.09977 55306-18-8 knapsack NA NA +FLNADBNS0001 5,7,4'-Trimethoxy-4-phenylcoumarin C18H16O5 312.09977 74512-60-0 knapsack NA NA +MJ030398 1,2,5,6,7-Phenanthrenepentol; 1,2-Methylene ether, 5,6,7-tri-Me C18H16O5 312.099773 NA MeJP NA NA +MJ030399 1,3,5-Trihydroxy-2-prenylxanthone C18H16O5 312.099773 NA MeJP NA NA +MJ030400 1,3,5-Trihydroxy-4-prenylxanthone C18H16O5 312.099773 NA MeJP NA NA +MJ030401 1,3,6-Trihydroxy-4-prenylxanthone C18H16O5 312.099773 NA MeJP NA NA +MJ030402 1,3,7-Trihydroxy-2-prenylxanthone C18H16O5 312.099773 NA MeJP NA NA +MJ030403 1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1'-Et, 1-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030404 1,4,5-Trihydroxy-3-prenylxanthone C18H16O5 312.099773 NA MeJP NA NA +MJ030405 1,5-Dihydroxy-6-prenylxanthone; 4'-Hydroxy C18H16O5 312.099773 NA MeJP NA NA +MJ030406 1,6,8-Trihydroxy-2,3-dimethylanthraquinone; 6,8-Di-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030407 1-Butyl-3,6,8-trihydroxyanthraquinone C18H16O5 312.099773 NA MeJP NA NA +MJ030408 2',3',4',6'-Tetrahydroxychalcone; 3',4'-Methylene, 2',6'-di-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030409 2',3',6-Trihydroxyflavone; Tri-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030410 2',5,6-Trihydroxyflavone; Tri-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030411 2',5,7-Trihydroxy-6,8-dimethylflavone; 7-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030412 2',5,8-Trihydroxyflavone; Tri-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030413 2,4-Dihydroxy-5-formyl-6-methoxy-3-methylchalcone C18H16O5 312.099773 NA MeJP NA NA +MJ030414 2-(1,1-Dimethyl-2-propenyl)-1,4,5-trihydroxyxanthone C18H16O5 312.099773 NA MeJP NA NA +MJ030415 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-methyl-5-benzofurancarboxaldehyde, 3',4'-Methylene, 5-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030416 3',4',5'-Trihydroxyflavone; Tri-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030417 3',4',7-Trihydroxyflavone; Tri-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030418 3',4',7-Trihydroxyisoflavone; Tri-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030419 3',5,6-Trihydroxyflavone; Tri-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030420 3,4',8-Trihydroxyflavone; Tri-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030421 3,5,7-Trihydroxy-6,8-dimethylflavone; 3-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030422 3,5,7-Trihydroxy-6,8-dimethylflavone; 7-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030423 3,5,7-Trihydroxyflavone; Tri-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030424 3,9,10-Trihydroxypterocarpene; Tri-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030425 4',5,7-Trihydroxy-6,8-dimethylflavone; 7-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030426 4',5,7-Trihydroxy-6-methylflavone; 4',5-Di-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030427 4',5,7-Trihydroxy-6-methylflavone; 4',7-Di-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030428 4',5,7-Trihydroxyflavone; Tri-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030429 4',5,7-Trihydroxyisoflavone; Tri-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030430 4-(1,1-Dimethyl-2-propenyl)-1,3,5-trihydroxyxanthone C18H16O5 312.099773 NA MeJP NA NA +MJ030431 5,6,7-Trihydroxyflavone; Tri-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030432 5,7,8-Trihydroxyflavone; Tri-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030433 5,7-Dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one; Tri-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030434 5,8-Dihydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one; 4'-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030435 6-Formyl-5,7-dihydroxy-8-methylflavanone, 7-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030436 9,10-Dihydro-3,8-dihydroxy-1,7,10-trimethyl-2-anthracenecarboxylic acid C18H16O5 312.099773 NA MeJP NA NA +MJ030437 Agrostophyllin; 5-Methoxy C18H16O5 312.099773 NA MeJP NA NA +MJ030438 Bonducellin; 8-Methoxy C18H16O5 312.099773 NA MeJP NA NA +MJ030439 Caloxanthone F C18H16O5 312.099773 NA MeJP NA NA +MJ030440 Combretastatin D2; 3?,4?-Epoxide C18H16O5 312.099773 NA MeJP NA NA +MJ030441 Dehydrocycloguanandin; 3,4-Dihydro, 3-hydroxy C18H16O5 312.099773 NA MeJP NA NA +MJ030442 Dulciol E C18H16O5 312.099773 NA MeJP NA NA +MJ030443 Globuxanthone C18H16O5 312.099773 NA MeJP NA NA +MJ030444 Intricatinol; 7-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030445 Lawinal, 5-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030446 Maturin; Ac C18H16O5 312.099773 NA MeJP NA NA +MJ030447 Mbarraxanthone C18H16O5 312.099773 NA MeJP NA NA +MJ030448 Murayalactone C18H16O5 312.099773 NA MeJP NA NA +MJ030449 Mycosinol; 6,7-Epoxide, O-angeloyl C18H16O5 312.099773 NA MeJP NA NA +MJ030450 Ochrolone C18H16O5 312.099773 NA MeJP NA NA +MJ030451 Ophiopogonone B C18H16O5 312.099773 NA MeJP NA NA +MJ030452 Pancixanthone B C18H16O5 312.099773 NA MeJP NA NA +MJ030453 Przewaquinone F C18H16O5 312.099773 NA MeJP NA NA +MJ030454 Puerol A; 4''-Me ether C18H16O5 312.099773 NA MeJP NA NA +MJ030455 Tanshindiol A C18H16O5 312.099773 NA MeJP NA NA +C10024 Baicalein 5,6,7-trimethyl ether C18H16O5 312.0998 NA KEGG NA NA +C10045 Galangin 3,5,7-trimethyl ether C18H16O5 312.0998 NA KEGG NA NA +C17472 Ophiopogonone B C18H16O5 312.0998 NA KEGG NA NA +MJ030456 Clazolam C18H17ClN2O 312.10294 NA MeJP NA NA +3388 ACE inhibitor MY 312.1034 celiac toxic Inhouse_peptide NA peptide +8090 peptide derived from sardine muscle MY 312.1034 ACE inhibitor Inhouse_peptide NA peptide +C01625 Vicianose C11H20O10 312.1056 NA KEGG NA NA +C07285 Arabino-galactose C11H20O10 312.1056 NA KEGG NA NA +C07286 [Arabino-galacto-(1->6)]-(1->3)-beta-D-galactans C11H20O10 312.1056 NA KEGG NA NA +C08245 6-O-beta-D-Xylopyranosyl-D-glucose C11H20O10 312.1056 NA KEGG NA NA +C11535 6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose C11H20O10 312.1056 NA KEGG NA NA +MJ030457 2-O-?-D-Galactopyranosyl-D-xylose C11H20O10 312.105646 NA MeJP NA NA +MJ030458 2-O-?-D-Glucopyranosyl-L-arabinose C11H20O10 312.105646 NA MeJP NA NA +MJ030459 2-O-?-D-Xylopyranosyl-D-galactose C11H20O10 312.105646 NA MeJP NA NA +MJ030460 2-O-?-D-Xylopyranosyl-D-glucose C11H20O10 312.105646 NA MeJP NA NA +MJ030461 2-O-?-D-Xylopyranosyl-D-mannose C11H20O10 312.105646 NA MeJP NA NA +MJ030462 2-O-?-D-Glucopyranosyl-D-xylose C11H20O10 312.105646 NA MeJP NA NA +MJ030463 3-O-?-D-Galactopyranosyl-L-arabinose C11H20O10 312.105646 NA MeJP NA NA +MJ030464 3-O-?-D-Xylopyranosyl-D-galactose C11H20O10 312.105646 NA MeJP NA NA +MJ030465 3-O-?-D-Galactopyranosyl-L-arabinose C11H20O10 312.105646 NA MeJP NA NA +MJ030466 3-O-?-D-Xylopyranosyl-D-glucose C11H20O10 312.105646 NA MeJP NA NA +MJ030467 4-O-?-D-Galactopyranosyl-D-xylose C11H20O10 312.105646 NA MeJP NA NA +MJ030468 4-O-?-D-Glucopyranosyl-D-xylose C11H20O10 312.105646 NA MeJP NA NA +MJ030469 4-O-?-D-Xylopyranosyl-D-allose C11H20O10 312.105646 NA MeJP NA NA +MJ030470 4-O-?-D-Xylopyranosyl-D-mannose C11H20O10 312.105646 NA MeJP NA NA +MJ030471 5-O-?-D-Galactopyranosyl-L-arabinose C11H20O10 312.105646 NA MeJP NA NA +MJ030472 6-O-?-D-Xylopyranosyl-D-galactose C11H20O10 312.105646 NA MeJP NA NA +MJ030473 6-O-?-D-Xylopyranosyl-D-glucose C11H20O10 312.105646 NA MeJP NA NA +MJ030474 6-O-?-D-Xylopyranosyl-D-mannose C11H20O10 312.105646 NA MeJP NA NA +MJ030475 6-O-?-D-Xylopyranosyl-D-glucose C11H20O10 312.105646 NA MeJP NA NA +MJ030476 6-O-?-L-Arabinopyranosyl-D-glucose C11H20O10 312.105646 NA MeJP NA NA +MetaCyc02772 vicianose [] C11H20O10 312.105647 14116-69-9 metacyc NA NA +MetaCyc02773 3-O-β-D-galactopyranosyl-D-arabinose [3-O-β-D-galactopyranosyl-L-arabinose;3-O-galactosylarabinose;arabinosylgalactose;galactosylarabinose;] C11H20O10 312.105647 6057-48-3 metacyc NA NA +HMDB11677 Galactose-beta-1,4-xylose C11H20O10 312.105652 NA HMDB2010 NA NA +MJ030477 Monilidiol C16H21ClO4 312.112836 NA MeJP NA NA +MJ030478 Antibiotic PS 6 C14H20N2O4S 312.114377 NA MeJP NA NA +MJ030479 Penicillin F C14H20N2O4S 312.114377 NA MeJP NA NA +C17371 PS-6 C14H20N2O4S 312.1144 NA KEGG NA NA +C17402 Penicillin F C14H20N2O4S 312.1144 NA KEGG NA NA +PJ000256 MY C14H20N2O4S 312.1144 NA PeJP NA NA +C05855 4-Hydroxycinnamyl alcohol 4-D-glucoside C15H20O7 312.1209 NA KEGG NA NA +C06080 Nivalenol C15H20O7 312.1209 NA KEGG NA NA +C06081 Polyprenol C10H18O 312.1209 NA KEGG NA NA +C12076 Deoxyanisatin C15H20O7 312.1209 NA KEGG NA NA +MJ030480 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide C15H20O7 312.120902 NA MeJP NA NA +MJ030481 2,6-Dimethylbenzoic acid; ?-D-Glucopyranosyl ester C15H20O7 312.120902 NA MeJP NA NA +MJ030482 3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 15-Hydroperoxide C15H20O7 312.120902 NA MeJP NA NA +MJ030483 3-(4-Hydroxyphenyl)-2-propen-1-ol, 1-O-?-D-Glucopyranoside C15H20O7 312.120902 NA MeJP NA NA +MJ030484 3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-O-?-D-Glucopyranoside C15H20O7 312.120902 NA MeJP NA NA +MJ030485 4,8,9,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 4-Hydroperoxide C15H20O7 312.120902 NA MeJP NA NA +MJ030486 4-(2-Propenyl)-1,2-benzenediol; 1-O-?-D-Glucopyranoside C15H20O7 312.120902 NA MeJP NA NA +MJ030487 Majucin; 4-Deoxy C15H20O7 312.120902 NA MeJP NA NA +MJ030488 Neoanisatin C15H20O7 312.120902 NA MeJP NA NA +MJ030489 Picrodendrin C C15H20O7 312.120902 NA MeJP NA NA +MJ030490 Picrodendrin I C15H20O7 312.120902 NA MeJP NA NA +MJ030491 Tutin; 8,9-Dihydro, 8-hydroxy C15H20O7 312.120902 NA MeJP NA NA +MJ030492 Nivalenol C15H20O7 312.120903 NA MeJP NA NA +HMDB04304 Nivalenol C15H20O7 312.12091 http://www.hmdb.ca/metabolites/HMDB04304 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04304 Nivalenol C15H20O7 312.12091 http://www.hmdb.ca/metabolites/HMDB04304 HMDB NA NA +HMDB04304 Nivalenol C15H20O7 312.12091 http://www.hmdb.ca/metabolites/HMDB04304 PFEM_hmdb_metabocards_blood NA blood +HMDB04304 Nivalenol C15H20O7 312.12091 HMDB04304 PFEM_hmdb_metabocards_official NA NA +HMDB04304 Nivalenol C15H20O7 312.120911 NA HMDB2010 NA NA +MJ030493 6,7,8,9-Tetrahydro-6-methyl-4-oxo-9-(phenylhydrazono)-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid C16H16N4O3 312.12224 NA MeJP NA NA +MJ030494 (1-Piperidinyl)ethyl 4-amino-5-chloro-2-methoxybenzoate C15H21ClN2O3 312.12407 NA MeJP NA NA +CJpos0738 Dimethylguanosine [(M+H)]+ (13C) C1113CH18N5O5 312.125775 C18rt(min)=4.71 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0738 Dimethylguanosine [(M+H)]+ (13C) C1113CH18N5O5 312.125775 C18rt(min)=4.71 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJneg0516 Dimethylguanosine [(M-H)]- (13C) C1113CH16N5O5 312.126825 C18rt(min)=4.71 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0516 Dimethylguanosine [(M-H)]- (13C) C1113CH16N5O5 312.126825 C18rt(min)=4.71 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +FL1CQUNS0003 Desmosdumotin C C19H20O4 312.13615 426823-13-4 knapsack NA NA +MJ030495 1,7-Bis(4-hydroxyphenyl)-4-hepten-3-one; 3'-Hydroxy C19H20O4 312.136159 NA MeJP NA NA +MJ030496 1,7-Bis(4-hydroxyphenyl)-4-hepten-3-one; 6-Hydroxy C19H20O4 312.136159 NA MeJP NA NA +MJ030497 1-(3,4-Dihydroxyphenyl)-2-[4-(1-propenyl)phenoxy]-1-propanol, 3,4-Methylene ether C19H20O4 312.136159 NA MeJP NA NA +MJ030498 14,16-Epoxy-20-nor-5(10),6,8,13-abietatetraene-11,12-dione, 17-Hydroxy C19H20O4 312.136159 NA MeJP NA NA +MJ030499 2-(3-Methyl-2-butenyl)-1,4-naphthalenediol; Di-Ac C19H20O4 312.136159 NA MeJP NA NA +MJ030500 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 4'-Me ether, 1-methyl-2-phenylethyl ester C19H20O4 312.136159 NA MeJP NA NA +MJ030501 3-Hydroxy-5-methoxy-4-(3-methyl-2-butenyl)biphenyl; 2-Carboxy C19H20O4 312.136159 NA MeJP NA NA +MJ030502 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5-triol, 5-Me ether C19H20O4 312.136159 NA MeJP NA NA +MJ030503 4-Hydroxymethyl-2-(2-methoxy-5-vinylphenyl)furan; Angeloyl C19H20O4 312.136159 NA MeJP NA NA +MJ030504 5,7-Pentadecadiene-9,11,13-triyne-1,3-diol; Di-Ac C19H20O4 312.136159 NA MeJP NA NA +MJ030505 5-[(4-Hydroxypheny)ethenyl]-2-(3-methyl-1-butenyl)-1,3-benzenediol; 3'-Hydroxy C19H20O4 312.136159 NA MeJP NA NA +MJ030506 6,7,8,9-Tetrahydro-1,6,6-trimethylfuro[3,2-c]naphth[2,1-e]oxepine-10,12-dione; 1,2-Dihydro C19H20O4 312.136159 NA MeJP NA NA +MJ030507 7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one; 2'-Ketone, 7-O-(3-methyl-2-butenyl) C19H20O4 312.136159 NA MeJP NA NA +MJ030508 9',13'-Norcyclolycoserone C19H20O4 312.136159 NA MeJP NA NA +MJ030509 Acerogenin D C19H20O4 312.136159 NA MeJP NA NA +MJ030510 Acerogenin H C19H20O4 312.136159 NA MeJP NA NA +MJ030511 Alnusdiol; 9-Ketone C19H20O4 312.136159 NA MeJP NA NA +MJ030512 Arachidin I C19H20O4 312.136159 NA MeJP NA NA +MJ030513 Auraptene; 5'-Oxo C19H20O4 312.136159 NA MeJP NA NA +MJ030514 Auraptene; 8'-Oxo C19H20O4 312.136159 NA MeJP NA NA +MJ030515 Auraptene; ?3'-Isomer(E-), 5'-oxo C19H20O4 312.136159 NA MeJP NA NA +MJ030516 Brombyin 1; 1-Ketone C19H20O4 312.136159 NA MeJP NA NA +MJ030517 Citrusarin A C19H20O4 312.136159 NA MeJP NA NA +MJ030518 Citrusarin B C19H20O4 312.136159 NA MeJP NA NA +MJ030519 Deoxybruceol C19H20O4 312.136159 NA MeJP NA NA +MJ030520 Diversin C19H20O4 312.136159 NA MeJP NA NA +MJ030521 Eriobrucinol C19H20O4 312.136159 NA MeJP NA NA +MJ030522 Eriosematin C19H20O4 312.136159 NA MeJP NA NA +MJ030523 Galipein C19H20O4 312.136159 NA MeJP NA NA +MJ030524 Gancaonin V C19H20O4 312.136159 NA MeJP NA NA +MJ030525 Hainanolidol C19H20O4 312.136159 NA MeJP NA NA +MJ030526 Honyudisin C19H20O4 312.136159 NA MeJP NA NA +MJ030527 Isoeriosematin C19H20O4 312.136159 NA MeJP NA NA +MJ030528 Luvangetin; O-De-Me, O-(3-methyl-2-butenyl) C19H20O4 312.136159 NA MeJP NA NA +MJ030529 Miltionone I C19H20O4 312.136159 NA MeJP NA NA +MJ030530 Montanin A C19H20O4 312.136159 NA MeJP NA NA +MJ030531 Nordentatin C19H20O4 312.136159 NA MeJP NA NA +MJ030532 Ochracenomicin A; 4a,12b-Dideoxy, 5,6,6a,12a-tetrahydro C19H20O4 312.136159 NA MeJP NA NA +MJ030533 Protobruceol I C19H20O4 312.136159 NA MeJP NA NA +MJ030534 Radulanin D C19H20O4 312.136159 NA MeJP NA NA +MJ030535 Trachyphyllin C19H20O4 312.136159 NA MeJP NA NA +C09136 Montanin A C19H20O4 312.1362 NA KEGG NA NA +C10283 4'-Prenyloxyresveratrol C19H20O4 312.1362 NA KEGG NA NA +C14211 Butylbenzyl phthalate C19H20O4 312.1362 NA KEGG NA NA +C14935 m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid C19H20O4 312.1362 NA KEGG NA NA +MJ030536 Lurosetron C17H17FN4O 312.138639 NA MeJP NA NA +MJ030537 Elanzepine C19H21ClN2 312.139326 NA MeJP NA NA +MJ030538 Olanzapine C17H20N4S 312.140867 NA MeJP NA NA +HMDB05012 Olanzapine C17H20N4S 312.140869 NA HMDB2010 NA NA +HMDB05012 Olanzapine C17H20N4S 312.14087 http://www.hmdb.ca/metabolites/HMDB05012 HMDB NA NA +HMDB05012 Olanzapine C17H20N4S 312.14087 HMDB05012 PFEM_hmdb_metabocards_official NA NA +C07322 Olanzapine C17H20N4S 312.1409 NA KEGG NA NA +MJ030539 Erymelanthine C18H20N2O3 312.147392 NA MeJP NA NA +PJ000257 FF C18H20N2O3 312.1474 NA PeJP NA NA +HMDB13302 Phenylalanylphenylalanine C18H20N2O3 312.1474 NA HMDB2010 NA NA +3282 NA NGRAHA 312.14845 MH2+ Inhouse_peptide NA peptide +MJ030540 Panaxydol; 1,2-Dihydro, 1-chloro, 2-hydroxy C17H25ClO3 312.149222 NA MeJP NA NA +MJ030541 2-Isopropyl-5-methylphenol; O-?-D-Glucopyranoside C16H24O6 312.157288 NA MeJP NA NA +MJ030542 Antibiotic AM 6927 C16H24O6 312.157288 NA MeJP NA NA +MJ030543 Ovalicin; 12-Hydroxy C16H24O6 312.157288 NA MeJP NA NA +MJ030544 Pyrenophorol C16H24O6 312.157288 NA MeJP NA NA +MJ030545 Propamidine C17H20N4O2 312.158625 NA MeJP NA NA +2711 erythromycin inhibitor MFSKL 312.1592 MH2+ Inhouse_peptide NA peptide +MJ030546 Benzindopyrine C22H20N2 312.162648 NA MeJP NA NA +MJ030547 Profenamine C19H24N2S 312.166019 NA MeJP NA NA +C09120 Jatrophone C20H24O3 312.1725 NA KEGG NA NA +C09524 Broussonin C C20H24O3 312.1725 NA KEGG NA NA +C10436 Centrolobine C20H24O3 312.1725 NA KEGG NA NA +MJ030548 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone C20H24O3 312.172544 NA MeJP NA NA +MJ030549 10'-Oxo-6,10'-diapo-6-carotenoic acid, Me ester C20H24O3 312.172544 NA MeJP NA NA +MJ030550 14,16-Epoxy-11-hydroxy-5,7,9(11),13-abietatetraen-12-one C20H24O3 312.172544 NA MeJP NA NA +MJ030551 15,16-Epoxy-1,3,12,13(16),14-clerodapentaen-18-oic acid C20H24O3 312.172544 NA MeJP NA NA +MJ030552 3,6-Epoxy-3,5,7,11,15-cembrapentaen-20,10-olide C20H24O3 312.172544 NA MeJP NA NA +MJ030553 4'-Hydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,4-biphenylquinone C20H24O3 312.172544 NA MeJP NA NA +MJ030554 4(10),6,11(18),15-Rhamnofolatetraene-1,5-dione, 2-Hydroxy C20H24O3 312.172544 NA MeJP NA NA +MJ030555 4-Hydroxymethylathrixianone; 19-Carboxylic acid, Me ester C20H24O3 312.172544 NA MeJP NA NA +MJ030556 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one C20H24O3 312.172544 NA MeJP NA NA +MJ030557 5,6-Secofuranoeremophila-1(10),2,4-trien-6-ol; 3-Methyl-2-butenoyl C20H24O3 312.172544 NA MeJP NA NA +MJ030558 5-Methoxy-1,7-diphenyl-3-heptanone; 4''-Hydroxy C20H24O3 312.172544 NA MeJP NA NA +MJ030559 6-Hydroxy-5,8,11,13-abietatetraene-1,7-dione C20H24O3 312.172544 NA MeJP NA NA +MJ030560 7,16:7,20-Diepoxy-8,11,13-cleistanthatrien-3-ol; 3-Ketone C20H24O3 312.172544 NA MeJP NA NA +MJ030561 7-Hydroxy-3-oxo-8,11,13-cleistanthatrien-16-oic acid, 16?7 Lactone C20H24O3 312.172544 NA MeJP NA NA +MJ030562 7-Oxo-8,11,13-cleistanthatrien-19,20-olide C20H24O3 312.172544 NA MeJP NA NA +MJ030563 8-(3,7-Dimethyl-2,6-octadienyl)-7-hydroxy-2H-1-benzopyran-2-one, Me ether C20H24O3 312.172544 NA MeJP NA NA +MJ030564 Aethiopinone; ?3-Isomer, 2-hydroxy C20H24O3 312.172544 NA MeJP NA NA +MJ030565 Brachychromone C20H24O3 312.172544 NA MeJP NA NA +MJ030566 Brachycoumarin C20H24O3 312.172544 NA MeJP NA NA +MJ030567 Broussonin C C20H24O3 312.172544 NA MeJP NA NA +MJ030568 Cacalol; 3-Methyl-2-butenoyl C20H24O3 312.172544 NA MeJP NA NA +MJ030569 Cannabistilbene I C20H24O3 312.172544 NA MeJP NA NA +MJ030570 Centrolobin C20H24O3 312.172544 NA MeJP NA NA +MJ030571 Conyscabraic acid; 5,6-Didehydro C20H24O3 312.172544 NA MeJP NA NA +MJ030572 Crocetindialdehyde; Monocarboxylic acid C20H24O3 312.172544 NA MeJP NA NA +MJ030573 Cyclobrachycoumarin C20H24O3 312.172544 NA MeJP NA NA +MJ030574 Cycloisobrachycoumarin C20H24O3 312.172544 NA MeJP NA NA +MJ030575 Estrone; Ac C20H24O3 312.172544 NA MeJP NA NA +MJ030576 Gravelliferone; Me ether C20H24O3 312.172544 NA MeJP NA NA +MJ030577 Hannokinol, 4'-Deoxy, 1,2-didehydro(E-), 3-Me ether C20H24O3 312.172544 NA MeJP NA NA +MJ030578 Jatrogrossidione C20H24O3 312.172544 NA MeJP NA NA +MJ030579 Jatropholone B; 15-Hydroxy C20H24O3 312.172544 NA MeJP NA NA +MJ030580 Jatrophone C20H24O3 312.172544 NA MeJP NA NA +MJ030581 Kallolide A; 2-Deoxy C20H24O3 312.172544 NA MeJP NA NA +MJ030582 Lanugone A C20H24O3 312.172544 NA MeJP NA NA +MJ030583 Limbinol C20H24O3 312.172544 NA MeJP NA NA +MJ030584 Nimbilicin C20H24O3 312.172544 NA MeJP NA NA +MJ030585 Piloselliodan C20H24O3 312.172544 NA MeJP NA NA +MJ030586 Pygmaeocin C C20H24O3 312.172544 NA MeJP NA NA +MJ030587 Ramosinin C20H24O3 312.172544 NA MeJP NA NA +MJ030588 Salprionin C20H24O3 312.172544 NA MeJP NA NA +MJ030589 Salvonitin; O-De-Et C20H24O3 312.172544 NA MeJP NA NA +MJ030590 Sapriparaquinone; 3,4-Didehydro C20H24O3 312.172544 NA MeJP NA NA +MJ030591 Sapriparaquinone; 4,18-Didehydro C20H24O3 312.172544 NA MeJP NA NA +MJ030592 Strictic acid; 11,12E-Didehydro C20H24O3 312.172544 NA MeJP NA NA +MJ030593 Triptophenolide C20H24O3 312.172544 NA MeJP NA NA +MJ030594 Umbrosone C20H24O3 312.172544 NA MeJP NA NA +MJ030595 17-Hydroxy-16-decarbomethoxydihydroepiajmalicine C19H24N2O2 312.183778 NA MeJP NA NA +MJ030596 Ajmaline; N-De-Me C19H24N2O2 312.183778 NA MeJP NA NA +MJ030597 Antirhine; natural-form, 10-Hydroxy C19H24N2O2 312.183778 NA MeJP NA NA +MJ030598 Cupreine; 10,11-Dihydro C19H24N2O2 312.183778 NA MeJP NA NA +MJ030599 Deoxyaspidodispermine C19H24N2O2 312.183778 NA MeJP NA NA +MJ030600 Dicarfen C19H24N2O2 312.183778 NA MeJP NA NA +MJ030601 Dihydroperaksine C19H24N2O2 312.183778 NA MeJP NA NA +MJ030602 Eburnamine, 16-Epimer, 19R-hydroxy C19H24N2O2 312.183778 NA MeJP NA NA +MJ030603 Eburnamine, 16-Epimer, 18-hydroxy C19H24N2O2 312.183778 NA MeJP NA NA +MJ030604 Eburnamine, 19R-Hydroxy C19H24N2O2 312.183778 NA MeJP NA NA +MJ030605 Geissoschizol; 10-Hydroxy C19H24N2O2 312.183778 NA MeJP NA NA +MJ030606 Ibogamine pseudoindoxyl; 19R-Hydroxy C19H24N2O2 312.183778 NA MeJP NA NA +MJ030607 Neolaugerine C19H24N2O2 312.183778 NA MeJP NA NA +MJ030608 Praziquantel C19H24N2O2 312.183778 NA MeJP NA NA +MJ030609 Quinamine C19H24N2O2 312.183778 NA MeJP NA NA +MJ030610 Retuline; 16-Epimer, 18-hydroxy, N-de-Ac C19H24N2O2 312.183778 NA MeJP NA NA +MJ030611 Salverine C19H24N2O2 312.183778 NA MeJP NA NA +MJ030612 Stapfinine C19H24N2O2 312.183778 NA MeJP NA NA +MJ030613 Strychnosplendine C19H24N2O2 312.183778 NA MeJP NA NA +MJ030614 Voaphylline hydroxyindolenine C19H24N2O2 312.183778 NA MeJP NA NA +MJ030615 Voaphylline, 16?-Hydroxy C19H24N2O2 312.183778 NA MeJP NA NA +MJ030616 Xylamidine C19H24N2O2 312.183778 NA MeJP NA NA +MetaCyc02774 norajmaline [] C19H24N2O2 312.183778 NA metacyc NA NA +C07367 Praziquantel C19H24N2O2 312.1838 NA KEGG NA NA +C11810 Norajmaline C19H24N2O2 312.1838 NA KEGG NA NA +C14561 2,4,6-Triphenyl-1-hexene C24H24 312.1878 NA KEGG NA NA +C15437 1,3,5-Triphenylcyclohexane C24H24 312.1878 NA KEGG NA NA +MJ030617 2,4,6-Triphenyl-1-hexene C24H24 312.1878 NA MeJP NA NA +MJ030618 Ficellomycin C13H24N6O3 312.190988 NA MeJP NA NA +MJ030619 2,5-Dihydro-2-methoxy-3,4-dimethyl-5-oxo-2-furannonanoic acid, Me ester C17H28O5 312.193674 NA MeJP NA NA +MJ030620 2,6,10-Farnesatriene-1,5,8,12-tetrol, 12-Ac C17H28O5 312.193674 NA MeJP NA NA +MJ030621 4,9,10,15-Tetrahydroxyprobotrydial, 4-Ac C17H28O5 312.193674 NA MeJP NA NA +MJ030622 6,10-Epoxy-7,8,10-isodaucanetriol, 8-Ac C17H28O5 312.193674 NA MeJP NA NA +MJ030623 7,11-Epoxy-1-bisabolene-3,10-diol; 10-Ac, 3-hydroperoxide C17H28O5 312.193674 NA MeJP NA NA +MJ030624 8-Daucene-4,6,10-triol, 8?,9?-Epoxide, 10-Ac C17H28O5 312.193674 NA MeJP NA NA +MJ030625 Arteether C17H28O5 312.193674 NA MeJP NA NA +MJ030626 Deacetyldihydrobotrydial; 4-Ac C17H28O5 312.193674 NA MeJP NA NA +MJ030627 Glycerol 1-alkanoates; Glycerol 1-(13-hydroxy-2E,4E,8E-tetradecatrienoate) C17H28O5 312.193674 NA MeJP NA NA +MJ030628 Manadic acid A C17H28O5 312.193674 NA MeJP NA NA +MJ030629 Methymycin; Aglycone C17H28O5 312.193674 NA MeJP NA NA +MJ030630 Neomethymycin; Aglycone C17H28O5 312.193674 NA MeJP NA NA +MJ030631 Peroxyplakoric acid A3 C17H28O5 312.193674 NA MeJP NA NA +C07023 Granisetron C18H24N4O 312.195 NA KEGG NA NA +MJ030632 Granisetron C18H24N4O 312.195011 NA MeJP NA NA +C08092 Oseltamivir C16H28N2O4 312.2049 NA KEGG NA NA +MJ030633 4-(Acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid, Et ester C16H28N2O4 312.204907 NA MeJP NA NA +MJ030634 5-[[(Octahydro-2H-quinolizin-1-yl)methyl]amino]-5-oxopentanoic acid, Me ester, N-oxide C16H28N2O4 312.204907 NA MeJP NA NA +C03207 16-Dehydroprogesterone C21H28O2 312.2089 NA KEGG NA NA +C04084 Pregna-4,9(11)-diene-3,20-dione C21H28O2 312.2089 NA KEGG NA NA +C04087 Protein N(tau)-methyl-L-histidine C8H10N4O2R2 312.2089 NA KEGG NA NA +C04088 Octadecanoyl-[acyl-carrier protein] C18H35OSR 312.2089 NA KEGG NA NA +C08149 Levonorgestrel C21H28O2 312.2089 NA KEGG NA NA +C08153 Norgestrel C21H28O2 312.2089 NA KEGG NA NA +C14487 Ethisterone C21H28O2 312.2089 NA KEGG NA NA +C14646 Pregna-4,11-diene-3,20-dione C21H28O2 312.2089 NA KEGG NA NA +C14677 1-Dehydroprogesterone C21H28O2 312.2089 NA KEGG NA NA +C14892 17-Allylestra-1,3,5(10)-triene-3,17beta-diol C21H28O2 312.2089 NA KEGG NA NA +C15167 3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one C21H28O2 312.2089 NA KEGG NA NA +C15388 3-Methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol C21H28O2 312.2089 NA KEGG NA NA +HMDB00995 16-Dehydroprogesterone C21H28O2 312.20892 http://www.hmdb.ca/metabolites/HMDB00995 HMDB NA NA +HMDB04626 Tetrahydrogestrinone C21H28O2 312.20892 http://www.hmdb.ca/metabolites/HMDB04626 HMDB NA NA +HMDB00995 16-Dehydroprogesterone C21H28O2 312.20892 HMDB00995 PFEM_hmdb_metabocards_official NA NA +HMDB04626 Tetrahydrogestrinone C21H28O2 312.20892 HMDB04626 PFEM_hmdb_metabocards_official NA NA +HMDB00995 16-Dehydroprogesterone C21H28O2 312.208923 NA HMDB2010 NA NA +HMDB04626 Tetrahydrogestrinone C21H28O2 312.208923 NA HMDB2010 NA NA +MJ030635 11,12-Dihydroxy-5,8,11,13-abietatetraen-7-one; 11-Deoxy, Me ether C21H28O2 312.20893 NA MeJP NA NA +MJ030636 12-Hydroxypregna-2,7,16-trien-20-one C21H28O2 312.20893 NA MeJP NA NA +MJ030637 12-Hydroxypregna-3,7,16-trien-20-one C21H28O2 312.20893 NA MeJP NA NA +MJ030638 13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one C21H28O2 312.20893 NA MeJP NA NA +MJ030639 17-Hydroxypregn-4-en-20-yn-3-one; 17?OH-form C21H28O2 312.20893 NA MeJP NA NA +MJ030640 18-Hydroxypregna-1,4,20-trien-3-one C21H28O2 312.20893 NA MeJP NA NA +MJ030641 19-Norpregna-1,3,5(10),20-tetraen-3-ol; 4-Hydroxy, 3-Me ether C21H28O2 312.20893 NA MeJP NA NA +MJ030642 2,9,16-Heptadecatriene-4,6-diyn-1-ol, 2-Methylpropanoyl C21H28O2 312.20893 NA MeJP NA NA +MJ030643 Anhydrofurospongin 1 C21H28O2 312.20893 NA MeJP NA NA +MJ030644 Arenarol; Quinone C21H28O2 312.20893 NA MeJP NA NA +MJ030645 Avarol; 2',5'-Quinone C21H28O2 312.20893 NA MeJP NA NA +MJ030646 Avarol; ?4(12)-Isomer, 2',5'-quinone C21H28O2 312.20893 NA MeJP NA NA +MJ030647 Demegestone C21H28O2 312.20893 NA MeJP NA NA +MJ030648 Dictyochromenol C21H28O2 312.20893 NA MeJP NA NA +MJ030649 Dydrogesterone C21H28O2 312.20893 NA MeJP NA NA +MJ030650 Frondosin A C21H28O2 312.20893 NA MeJP NA NA +MJ030651 Helioporin D; 12,13-Didehydro (E-) C21H28O2 312.20893 NA MeJP NA NA +MJ030652 Helioporin D; 12,13-Didehydro (Z-) C21H28O2 312.20893 NA MeJP NA NA +MJ030653 Helioporin E C21H28O2 312.20893 NA MeJP NA NA +MJ030654 Isochromazonarol C21H28O2 312.20893 NA MeJP NA NA +MJ030655 Longithorone B; 16?,21-Dihydro C21H28O2 312.20893 NA MeJP NA NA +MJ030656 Pregna-4,11-diene-3,20-dione C21H28O2 312.20893 NA MeJP NA NA +MJ030657 Pregna-4,17(20)-diene-3,16-dione C21H28O2 312.20893 NA MeJP NA NA +MJ030658 Riccardiphenol A C21H28O2 312.20893 NA MeJP NA NA +MJ030659 Riccardiphenol C C21H28O2 312.20893 NA MeJP NA NA +MJ030660 Tibolone C21H28O2 312.20893 NA MeJP NA NA +MJ030661 Zonarol; Quinone C21H28O2 312.20893 NA MeJP NA NA +MetaCyc02775 pregna-4,9(11)-diene-3,20-dione [] C21H28O2 312.20893 NA metacyc NA NA +MetaCyc02776 16-dehydroprogesterone [16,17-Didehydroprogesterone;] C21H28O2 312.20893 1096-38-4 metacyc NA NA +MJ030662 Aspidospermidine, 10-Methoxy C20H28N2O 312.220163 NA MeJP NA NA +MJ030663 Deacetylaspidospermine C20H28N2O 312.220163 NA MeJP NA NA +MJ030664 Fruticosonine C20H28N2O 312.220163 NA MeJP NA NA +MJ030665 Pytamine C20H28N2O 312.220163 NA MeJP NA NA +MJ030666 Quebrachamine, 11-Methoxy C20H28N2O 312.220163 NA MeJP NA NA +MJ030667 Antirhine; natural-form, Dihydro, N?-Me C20H29N2O(+) 312.220163 NA MeJP NA NA +MJ030668 Dihydrocorynantheol, 3-Epimer, N-Me (?-) C20H29N2O(+) 312.220163 NA MeJP NA NA +MJ030669 Dihydrocorynantheol, N-Me C20H29N2O(+) 312.220163 NA MeJP NA NA +C09191 Fruticosonine C20H28N2O 312.2202 NA KEGG NA NA +MJ030670 13-Hydroperoxy-9,11-octadecadienoic acid C18H32O4 312.230059 NA MeJP NA NA +MJ030671 13-Hydroxy-10-oxo-11-octadecenoic acid C18H32O4 312.230059 NA MeJP NA NA +MJ030672 4,6-Diethyl-3,6-dihydro-6-(2-methylhexyl)-1,2-dioxin-3-acetic acid, Me ester C18H32O4 312.230059 NA MeJP NA NA +MJ030673 5,8-Dihydroxy-9,12-octadecadienoic acid C18H32O4 312.230059 NA MeJP NA NA +MJ030674 8,13-Dihydroxy-9,11-octadecadienoic acid C18H32O4 312.230059 NA MeJP NA NA +MJ030675 8-Hydroperoxy-9,12-octadecadienoic acid C18H32O4 312.230059 NA MeJP NA NA +MJ030676 9,10-Epoxy-18-hydroxy-12-octadecenoic acid C18H32O4 312.230059 NA MeJP NA NA +MJ030677 9,10-Epoxy-18-oxooctadecanoic acid C18H32O4 312.230059 NA MeJP NA NA +MJ030678 9-Octadecenedioic acid C18H32O4 312.230059 NA MeJP NA NA +MJ030679 Dihydro-5-(7-hydroxy-8-tetradecenyl)-2(3H)-furanone; 13'R-Hydroxy C18H32O4 312.230059 NA MeJP NA NA +MJ030680 Haterumadioxin A; 9,10-Dihydro C18H32O4 312.230059 NA MeJP NA NA +MJ030681 Plakortic acid; Me ester C18H32O4 312.230059 NA MeJP NA NA +MJ030682 Tetrahydro-6-(1-hydroxyundecyl)-2H-pyran-2-one, Ac C18H32O4 312.230059 NA MeJP NA NA +EUR120 13-HPODE(13-hydroperoxyoctadecadienoicacid) C18H32O4 312.23006 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR120 13-HPODE(13-hydroperoxyoctadecadienoicacid) C18H32O4 312.23006 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR120 13-HPODE(13-hydroperoxyoctadecadienoicacid) C18H32O4 312.23006 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR120 13-HPODE(13-hydroperoxyoctadecadienoicacid) C18H32O4 312.23006 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR120 13-HPODE(13-hydroperoxyoctadecadienoicacid) C18H32O4 312.23006 Wishlist HMDB NA NA +EUR120 13-HPODE(13-hydroperoxyoctadecadienoicacid) C18H32O4 312.23006 Wishlist Inhouse_PFEM NA NA +MetaCyc02777 octadec-9-ene-1,18-dioic-acid [] C18H32O4 312.23006 NA metacyc NA NA +MetaCyc02778 (9Z,12Z)-(11S)-11-hydroperoxyoctadeca-9,12-dienoate [11-hydroperoxyoctadeca-9,12-dienoic acid;] C18H32O4 312.23006 NA metacyc NA NA +MetaCyc02779 (9Z,12Z)-(7S,8S)-11-dihydroxyoctadeca-9,12-dienoate [] C18H32O4 312.23006 NA metacyc NA NA +MetaCyc02780 9-hydroperoxyoctadeca-9,11-dienoate [9-hydroperoxyoctadeca-9,11-dienoic acid;] C18H32O4 312.23006 NA metacyc NA NA +MetaCyc02781 13(S)-hydroperoxyoctadeca-9,11-dienoate [(9Z,11E)-(13S)-13-hydroperoxyoctadeca-9,11-dienoate;] C18H32O4 312.23006 NA metacyc NA NA +EUR120 13-HPODE(13-hydroperoxyoctadecadienoicacid) C18H32O4 312.23006 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR120 13-HPODE(13-hydroperoxyoctadecadienoicacid) C18H32O4 312.23006 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB03871 13-L-Hydroperoxylinoleic acid C18H32O4 312.23007 http://www.hmdb.ca/metabolites/HMDB03871 HMDB NA NA +HMDB04706 8(R)-hydroperoxylinoleic acid C18H32O4 312.23007 http://www.hmdb.ca/metabolites/HMDB04706 HMDB NA NA +HMDB03871 13-L-Hydroperoxylinoleic acid C18H32O4 312.23007 HMDB03871 PFEM_hmdb_metabocards_official NA NA +HMDB04706 8(R)-hydroperoxylinoleic acid C18H32O4 312.23007 HMDB04706 PFEM_hmdb_metabocards_official NA NA +HMDB03871 13-L-Hydroperoxylinoleic acid C18H32O4 312.230072 NA HMDB2010 NA NA +HMDB04706 8(R)-Hydroperoxylinoleic acid C18H32O4 312.230072 NA HMDB2010 NA NA +HMDB06940 9(S)-HPODE C18H32O4 312.230072 NA HMDB2010 NA NA +HMDB10201 12,13-DiHODE C18H32O4 312.230072 NA HMDB2010 NA NA +HMDB10208 15,16-DiHODE C18H32O4 312.230072 NA HMDB2010 NA NA +HMDB10221 9,10-DiHODE C18H32O4 312.230072 NA HMDB2010 NA NA +EUR120 13-HPODE(13-hydroperoxyoctadecadienoicacid) C18H32O4 312.2301 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR120 13-HPODE(13-hydroperoxyoctadecadienoicacid) C18H32O4 312.2301 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR120 13-HPODE(13-hydroperoxyoctadecadienoicacid) C18H32O4 312.2301 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR120 13-HPODE(13-hydroperoxyoctadecadienoicacid) C18H32O4 312.2301 Wishlist Inhousejuil11 NA NA +C04717 (9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid C18H32O4 312.2301 NA KEGG NA NA +C07338 (9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid C18H32O4 312.2301 NA KEGG NA NA +C07354 (7S,8S)-DiHODE C18H32O4 312.2301 NA KEGG NA NA +C14827 9(S)-HPODE C18H32O4 312.2301 NA KEGG NA NA +C14831 8(R)-HPODE C18H32O4 312.2301 NA KEGG NA NA +C14832 12,13-Epoxy-9-hydroxy-10-octadecenoate C18H32O4 312.2301 NA KEGG NA NA +C14834 9,10-Epoxy-13-hydroxy-11-octadecenoate C18H32O4 312.2301 NA KEGG NA NA +C14836 9,10-12,13-Diepoxyoctadecanoate C18H32O4 312.2301 NA KEGG NA NA +EUR499 13-HPODE F1 NA 312.233125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR499 13-HPODE F1 NA 312.233125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR499 13-HPODE F1 NA 312.233125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR499 13-HPODE F1 NA 312.233125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR499 13-HPODE F1 NA 312.233125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR499 13-HPODE F1 NA 312.233125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR499 13-HPODE F1 NA 312.233125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR499 13-HPODE F1 NA 312.233125 standards wishlist analysés sur QTOF HMDB NA NA +EUR499 13-HPODE F1 NA 312.233125 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR499 13-HPODE F1 NA 312.233125 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR499 13-HPODE F1 NA 312.233125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR499 13-HPODE F1 NA 312.233125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ030683 Conkurchine C21H32N2 312.256549 NA MeJP NA NA +MJ030684 4,5-Dihydro-4-hydroxy-5-methyl-2-tetradecyl-2(3H)-furanone C19H36O3 312.266445 NA MeJP NA NA +MJ030685 6-Hydroxy-4-nonadecenoic acid C19H36O3 312.266445 NA MeJP NA NA +MJ030686 Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol C19H36O3 312.266445 NA MeJP NA NA +C01607 Phytanate C20H40O2 312.3028 NA KEGG NA NA +C06425 Icosanoic acid C20H40O2 312.3028 NA KEGG NA NA +HMDB00417 3D,7D,11D-Phytanic acid C20H40O2 312.302826 NA HMDB2010 NA NA +HMDB00553 3L,7D,11D-Phytanic acid C20H40O2 312.302826 NA HMDB2010 NA NA +HMDB00801 Phytanic acid C20H40O2 312.302826 NA HMDB2010 NA NA +HMDB02212 Arachidic acid C20H40O2 312.302826 NA HMDB2010 NA NA +HMDB00801 Phytanic acid C20H40O2 312.30283 http://www.hmdb.ca/metabolites/HMDB00801 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02212 Arachidic acid C20H40O2 312.30283 http://www.hmdb.ca/metabolites/HMDB02212 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00417 3D,7D,11D-Phytanic acid C20H40O2 312.30283 http://www.hmdb.ca/metabolites/HMDB00417 HMDB NA NA +HMDB00553 3L,7D,11D-Phytanic acid C20H40O2 312.30283 http://www.hmdb.ca/metabolites/HMDB00553 HMDB NA NA +HMDB00801 Phytanic acid C20H40O2 312.30283 http://www.hmdb.ca/metabolites/HMDB00801 HMDB NA NA +HMDB02212 Arachidic acid C20H40O2 312.30283 http://www.hmdb.ca/metabolites/HMDB02212 HMDB NA NA +MJ030687 1-Octadecanol; Ac C20H40O2 312.30283 NA MeJP NA NA +MJ030688 1-Phytanoic acid C20H40O2 312.30283 NA MeJP NA NA +MJ030689 1-Phytene-3,4-diol C20H40O2 312.30283 NA MeJP NA NA +MJ030690 16-Methyloctadecanoic acid; Me ester C20H40O2 312.30283 NA MeJP NA NA +MJ030691 2,2,6,10,14-Pentamethylpentadecanoic acid C20H40O2 312.30283 NA MeJP NA NA +MJ030692 3(20)-Phytene-1,2-diol C20H40O2 312.30283 NA MeJP NA NA +MJ030693 4,6-Eicosanedione; 4-Alcohol C20H40O2 312.30283 NA MeJP NA NA +MJ030694 5,7-Eicosanedione; 5-Alcohol C20H40O2 312.30283 NA MeJP NA NA +MJ030695 Eicosanoic acid C20H40O2 312.30283 NA MeJP NA NA +MJ030696 Hexadecanoic acid; Butyl ester C20H40O2 312.30283 NA MeJP NA NA +HMDB00801 Phytanic acid C20H40O2 312.30283 http://www.hmdb.ca/metabolites/HMDB00801 PFEM_hmdb_metabocards_blood NA blood +HMDB02212 Arachidic acid C20H40O2 312.30283 http://www.hmdb.ca/metabolites/HMDB02212 PFEM_hmdb_metabocards_blood NA blood +HMDB00417 3D,7D,11D-Phytanic acid C20H40O2 312.30283 HMDB00417 PFEM_hmdb_metabocards_official NA NA +HMDB00553 3L,7D,11D-Phytanic acid C20H40O2 312.30283 HMDB00553 PFEM_hmdb_metabocards_official NA NA +HMDB00801 Phytanic acid C20H40O2 312.30283 HMDB00801 PFEM_hmdb_metabocards_official NA NA +HMDB02212 Arachidic acid C20H40O2 312.30283 HMDB02212 PFEM_hmdb_metabocards_official NA NA +MetaCyc02782 arachidate [arachidic acid;] C20H40O2 312.302831 NA metacyc NA NA +MJ030697 2-(12-Aminotridecyl)pyrrolidine, N1-(2-Hydroxyethyl) C19H40N2O 312.314063 NA MeJP NA NA +MJ030698 4,5-Eicosanediamine C20H44N2 312.350449 NA MeJP NA NA +3791 NA YPFSL 312.6495 MH2+ Inhouse_peptide NA peptide +MJ030699 Eudistomin A; ?1'-Isomer, 3',4'-dihydro, deoxy C15H12BrN3 313.02146 NA MeJP NA NA +MJ030700 Eudistomin H C15H12BrN3 313.02146 NA MeJP NA NA +C16840 Eudistomin G C15H12BrN3 313.0215 NA KEGG NA NA +C17168 Eudistomin H C15H12BrN3 313.0215 NA KEGG NA NA +MJ030701 Rentiapril C13H15NO4S2 313.044249 NA MeJP NA NA +C14580 Isoxathion C13H16NO4PS 313.0538 NA KEGG NA NA +C00968 3',5'-Cyclic dAMP C10H12N5O5P 313.0576 NA KEGG NA NA +MJ030702 Bemesetron C15H17Cl2NO2 313.063634 NA MeJP NA NA +HMDB00999 Phosphoribosylformylglycineamidine C8H16N3O8P 313.0675 http://www.hmdb.ca/metabolites/HMDB00999 HMDB NA NA +HMDB02305 5'-phosphoribosyl-a-N-formylglycineamidine C8H16N3O8P 313.0675 http://www.hmdb.ca/metabolites/HMDB02305 HMDB NA NA +C04640 2-(Formamido)-N1-(5'-phosphoribosyl)acetamidine C8H16N3O8P 313.0675 NA KEGG NA NA +HMDB00999 Phosphoribosylformylglycineamidine C8H16N3O8P 313.0675 HMDB00999 PFEM_hmdb_metabocards_official NA NA +HMDB02305 5'-phosphoribosyl-a-N-formylglycineamidine C8H16N3O8P 313.0675 HMDB02305 PFEM_hmdb_metabocards_official NA NA +MJ030703 2-(Formamido)-N1-(5'-phosphoribosyl)acetamidine C8H16N3O8P 313.067501 NA MeJP NA NA +MetaCyc02783 5-phosphoribosyl-N-formylglycineamidine [2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine;5'-phosphoribosyl-N-formyl glycineamidine;FGAM;5-phosphoribosyl-N-formylglycineamidine;5'-phosphoribosylformylglycinamidine;] C8H16N3O8P1 313.067501 NA metacyc NA NA +HMDB00999 Phosphoribosylformylglycineamidine C8H16N3O8P 313.067505 NA HMDB2010 NA NA +HMDB02305 5'-phosphoribosyl-a-N-formylglycineamidine C8H16N3O8P 313.067505 NA HMDB2010 NA NA +MJ030704 Chlorozotocin C9H16ClN3O7 313.067677 NA MeJP NA NA +C16628 Albendazole-beta-hydroxysulphone C12H15N3O5S 313.0732 NA KEGG NA NA +C16629 Albendazole-gamma-hydroxysulphone C12H15N3O5S 313.0732 NA KEGG NA NA +MJ030705 4-Amino-6-methoxy-1-phenylpyridazinium(1+); Methylsulfate C12H15N3O5S 313.073241 NA MeJP NA NA +MJ030706 Piclonidine C14H17Cl2N3O 313.074867 NA MeJP NA NA +MJ030707 Aspartic acid, N-(4-Hydroxy-3,5-dimethoxybenzoyl) C13H15NO8 313.079766 NA MeJP NA NA +MJ030708 5'-Thioadenosine; S-Me, S-oxide(R-) C11H15N5O4S 313.084474 NA MeJP NA NA +MJ030709 5'-Thioadenosine; S-Me, S-oxide(S-) C11H15N5O4S 313.084474 NA MeJP NA NA +MJ030710 Amphimedine C19H11N3O2 313.085126 NA MeJP NA NA +MJ030711 Flubendazole C16H12FN3O3 313.086269 NA MeJP NA NA +MJ030712 Flunitrazepam C16H12FN3O3 313.086269 NA MeJP NA NA +MJ030713 Molokaiamine; N2',N2',N3''-Tri-Me C14H22BrN2O 313.09155 NA MeJP NA NA +C10724 Melicopine C17H15NO5 313.095 NA KEGG NA NA +MJ030714 Avenanthramide D, 3'-Methoxy C17H15NO5 313.095022 NA MeJP NA NA +MJ030715 Benorilate C17H15NO5 313.095022 NA MeJP NA NA +MJ030716 Melicopine C17H15NO5 313.095022 NA MeJP NA NA +MJ030717 Parcetasal C17H15NO5 313.095022 NA MeJP NA NA +MJ030718 Schumannificine; 7'-Deoxy, 3',7'-didehydro, N-Me C17H15NO5 313.095022 NA MeJP NA NA +MJ030719 Tecleanthine C17H15NO5 313.095022 NA MeJP NA NA +MJ030720 Xanthevodine; N-Me C17H15NO5 313.095022 NA MeJP NA NA +MJ030721 Pipethiadene C18H19NS2 313.09589 NA MeJP NA NA +MJ030722 Amoxapine C17H16ClN3O 313.098189 NA MeJP NA NA +MJ030723 11,12,13,13a-Tetrahydro-7-methoxy-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylic acid C16H15N3O4 313.106255 NA MeJP NA NA +MJ030724 Mitonafide C16H15N3O4 313.106255 NA MeJP NA NA +HMDB10328 Tyramine glucuronide C14H19NO7 313.11615 NA HMDB2010 NA NA +MJ030725 2'-Amino-3'-hydroxyacetophenone; O-?-D-Glucopyranoside C14H19NO7 313.116151 NA MeJP NA NA +MJ030726 2-Hydroxy-2-phenylacetamide, O-?-D-Glucopyranoside C14H19NO7 313.116151 NA MeJP NA NA +MJ030727 Lithospermoside; 5-Deoxy C14H19NO7 313.116151 NA MeJP NA NA +MJ030728 Clathridine C C15H15N5O3 313.117489 NA MeJP NA NA +MJ030729 Norcisapride C14H20ClN3O3 313.119319 NA MeJP NA NA +C09032 Angustine C20H15N3O 313.1215 NA KEGG NA NA +MJ030730 Angustine C20H15N3O 313.121512 NA MeJP NA NA +MJ030731 Ecopipam C19H20ClNO 313.123341 NA MeJP NA NA +CJpos0739 Dimethylguanosine [(M+H)]+ (18O) C12H18N5O418O 313.126675 C18rt(min)=4.71 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0739 Dimethylguanosine [(M+H)]+ (18O) C12H18N5O418O 313.126675 C18rt(min)=4.71 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C02717 N-Feruloyltyramine C18H19NO4 313.1314 NA KEGG NA NA +C08513 Acetylcaranine C18H19NO4 313.1314 NA KEGG NA NA +C11017 BAS 490 F C18H19NO4 313.1314 NA KEGG NA NA +C16984 Laurolitsine C18H19NO4 313.1314 NA KEGG NA NA +MJ030732 1,2,3,9-Tetrahydroxynoraporphine, 2,3-Di-Me ether C18H19NO4 313.131408 NA MeJP NA NA +MJ030733 1,2,3,9-Tetrahydroxynoraporphine, 1,2-Di-Me ether C18H19NO4 313.131408 NA MeJP NA NA +MJ030734 14-Hydroxycodeine; 6-Ketone C18H19NO4 313.131408 NA MeJP NA NA +MJ030735 2,3,10,11-Tetrahydroxytetrahydroberberine, 2-Me ether C18H19NO4 313.131408 NA MeJP NA NA +MJ030736 2,3,10,11-Tetrahydroxytetrahydroberberine, 3-Me ether C18H19NO4 313.131408 NA MeJP NA NA +MJ030737 2-Amino-4-[3-(2-naphthyl)prop-2-enyl]pentane-1,5-dioic acid C18H19NO4 313.131408 NA MeJP NA NA +MJ030738 4-(2-Aminoethyl)phenol; N-(4-Hydroxy-3-methoxy-E-cinnamoyl) C18H19NO4 313.131408 NA MeJP NA NA +MJ030739 4-(2-Aminoethyl)phenol; N-(4-Hydroxy-3-methoxy-Z-cinnamoyl) C18H19NO4 313.131408 NA MeJP NA NA +MJ030740 ?-(Methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetic acid, Me ester C18H19NO4 313.131408 NA MeJP NA NA +MJ030741 Boldine, N-De-Me C18H19NO4 313.131408 NA MeJP NA NA +MJ030742 Bracteoline, N-De-Me C18H19NO4 313.131408 NA MeJP NA NA +MJ030743 Caranine; Ac C18H19NO4 313.131408 NA MeJP NA NA +MJ030744 Cephalotaxinone C18H19NO4 313.131408 NA MeJP NA NA +MJ030745 Claviculine C18H19NO4 313.131408 NA MeJP NA NA +MJ030746 Corytuberine, N-De-Me C18H19NO4 313.131408 NA MeJP NA NA +MJ030747 Crinine, Ac C18H19NO4 313.131408 NA MeJP NA NA +MJ030748 Cularine, O6,N-Di-de-Me C18H19NO4 313.131408 NA MeJP NA NA +MJ030749 Cularine, O6,O10-Di-de-Me C18H19NO4 313.131408 NA MeJP NA NA +MJ030750 Dopamine; N-(4-Methoxycinnamoyl)(Z-) C18H19NO4 313.131408 NA MeJP NA NA +MJ030751 Erysodienone C18H19NO4 313.131408 NA MeJP NA NA +MJ030752 Erysotramidine, O14-De-Me C18H19NO4 313.131408 NA MeJP NA NA +MJ030753 Erythrartine; 11-Ketone, O15-De-Me C18H19NO4 313.131408 NA MeJP NA NA +MJ030754 Erythrartine; 11-Ketone, O16-de-Me C18H19NO4 313.131408 NA MeJP NA NA +MJ030755 Erythratine; 2-Ketone C18H19NO4 313.131408 NA MeJP NA NA +MJ030756 Erythrinine C18H19NO4 313.131408 NA MeJP NA NA +MJ030757 Flavinine C18H19NO4 313.131408 NA MeJP NA NA +MJ030758 Furo[2,3-b]quinoline-4,6,7-triol; OH-form, 7-O-(3-Methyl-2-butenyl), 4,6-di-Me ether C18H19NO4 313.131408 NA MeJP NA NA +MJ030759 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(3-Methyl-2-butenyl), 4,8-di-Me ether C18H19NO4 313.131408 NA MeJP NA NA +MJ030760 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 8-O-(3-Methyl-2-butenyl), 4,7-di-Me ether C18H19NO4 313.131408 NA MeJP NA NA +MJ030761 Glaufine C18H19NO4 313.131408 NA MeJP NA NA +MJ030762 Hernovine C18H19NO4 313.131408 NA MeJP NA NA +MJ030763 Isoboldine, N-De-Me C18H19NO4 313.131408 NA MeJP NA NA +MJ030764 Isocephalotaxinone; Natural-form C18H19NO4 313.131408 NA MeJP NA NA +MJ030765 Isocorytuberine, N-De-Me C18H19NO4 313.131408 NA MeJP NA NA +MJ030766 Lindcarpine C18H19NO4 313.131408 NA MeJP NA NA +MJ030767 Liriotulipiferine, N-De-Me C18H19NO4 313.131408 NA MeJP NA NA +MJ030768 Pachyconfine; N-Oxide C18H19NO4 313.131408 NA MeJP NA NA +MJ030769 Pallidine; N-De-Me C18H19NO4 313.131408 NA MeJP NA NA +MJ030770 Perfamine C18H19NO4 313.131408 NA MeJP NA NA +MJ030771 Rurrebanidine C18H19NO4 313.131408 NA MeJP NA NA +MJ030772 Salutaridine, N-De-Me C18H19NO4 313.131408 NA MeJP NA NA +MJ030773 Salutaridine, O6-De-Me C18H19NO4 313.131408 NA MeJP NA NA +MJ030774 Tembamide, Ac C18H19NO4 313.131408 NA MeJP NA NA +MJ030775 Yemensine C18H19NO4 313.131408 NA MeJP NA NA +MJ030776 Litcubine; 10-O-De-Me C18H20NO4(+) 313.131408 NA MeJP NA NA +MetaCyc02784 N-feruloyltyramine [] C18H19N1O4 313.131408 NA metacyc NA NA +PJ000258 GTH C12H19N5O5 313.1386 NA PeJP NA NA +MJ030777 Isolongistrobine C17H19N3O3 313.142641 NA MeJP NA NA +MJ030778 Longistrobine C17H19N3O3 313.142641 NA MeJP NA NA +MJ030779 Sematilide C14H23N3O3S 313.146012 NA MeJP NA NA +MJ030780 Sesbanimide C C15H23NO6 313.152537 NA MeJP NA NA +MJ030781 Dimabefylline C16H19N5O2 313.153874 NA MeJP NA NA +MJ030782 Copovithane C14H23N3O5 313.16377 NA MeJP NA NA +PJ000259 PPT C14H23N3O5 313.1638 NA PeJP NA NA +MJ030783 1-(3,4-Dihydroxyphenyl)-2-[(1-methyl-3-phenylpropyl)amino]-1-propanone C19H23NO3 313.167793 NA MeJP NA NA +MJ030784 Anicanine C19H23NO3 313.167793 NA MeJP NA NA +MJ030785 Armepavine C19H23NO3 313.167793 NA MeJP NA NA +MJ030786 Bractazonine C19H23NO3 313.167793 NA MeJP NA NA +MJ030787 Bulbocodine C19H23NO3 313.167793 NA MeJP NA NA +MJ030788 Colchiethanamine C19H23NO3 313.167793 NA MeJP NA NA +MJ030789 Colchilutine C19H23NO3 313.167793 NA MeJP NA NA +MJ030790 Comosine C19H23NO3 313.167793 NA MeJP NA NA +MJ030791 Erysotrine C19H23NO3 313.167793 NA MeJP NA NA +MJ030792 Galanthamine, N-De-Me, N-(2-propenyl) C19H23NO3 313.167793 NA MeJP NA NA +MJ030793 Gorchacoine C19H23NO3 313.167793 NA MeJP NA NA +MJ030794 Higenamine, O4',O6,N-Tri-Me C19H23NO3 313.167793 NA MeJP NA NA +MJ030795 Higenamine, O4',O7,N-Tri-Me C19H23NO3 313.167793 NA MeJP NA NA +MJ030796 Jolantamine C19H23NO3 313.167793 NA MeJP NA NA +MJ030797 Laurifonine; N-De-Me C19H23NO3 313.167793 NA MeJP NA NA +MJ030798 Laurifonine; O3-De-Me C19H23NO3 313.167793 NA MeJP NA NA +MJ030799 Linearisine; Me ether C19H23NO3 313.167793 NA MeJP NA NA +MJ030800 Longifolidine C19H23NO3 313.167793 NA MeJP NA NA +MJ030801 Morphine, 3-Et ether C19H23NO3 313.167793 NA MeJP NA NA +MJ030802 Neodihydrothebaine C19H23NO3 313.167793 NA MeJP NA NA +MJ030803 Oxyfedrine C19H23NO3 313.167793 NA MeJP NA NA +MJ030804 Peniamidienone C19H23NO3 313.167793 NA MeJP NA NA +MJ030805 Piperettine; 6,7-Dihydro C19H23NO3 313.167793 NA MeJP NA NA +MJ030806 Reboxetine C19H23NO3 313.167793 NA MeJP NA NA +MJ030807 Schelhammericine C19H23NO3 313.167793 NA MeJP NA NA +MJ030808 Secoquettamine; Dihydro C19H23NO3 313.167793 NA MeJP NA NA +MJ030809 Xenysalate C19H23NO3 313.167793 NA MeJP NA NA +MJ030810 Higenamine, O4',N,N-Tri-Me C19H24NO3(+) 313.167793 NA MeJP NA NA +MJ030811 Higenamine, O6,N,N-Tri-Me C19H24NO3(+) 313.167793 NA MeJP NA NA +MJ030812 Higenamine, O7,N,N-Tri-Me C19H24NO3(+) 313.167793 NA MeJP NA NA +MJ030813 Higenamine, O6,N,N-Tri-Me C19H24NO3(+) 313.167793 NA MeJP NA NA +MJ030814 Metocinium(1+) C19H24NO3(+) 313.167793 NA MeJP NA NA +C07537 Ethylmorphine C19H23NO3 313.1678 NA KEGG NA NA +C09342 Armepavine C19H23NO3 313.1678 NA KEGG NA NA +C09423 Erysotrine C19H23NO3 313.1678 NA KEGG NA NA +C09565 Laurifine C19H23NO3 313.1678 NA KEGG NA NA +C11780 6-Ethylmorphine C19H23NO3 313.1678 NA KEGG NA NA +C15078 3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime C19H23NO3 313.1678 NA KEGG NA NA +MJ030815 Holidine; Parent acid, amide C18H23N3O2 313.179026 NA MeJP NA NA +MJ030816 Martensine A; 10-Ketone C18H23N3O2 313.179026 NA MeJP NA NA +MJ030817 Picrasidine K C18H23N3O2 313.179026 NA MeJP NA NA +C10324 Heliotrine C16H27NO5 313.1889 NA KEGG NA NA +MJ030818 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, 7-O-[2-Hydroxy-2-(1-hydroxyethyl)-3-methylpentanoyl] C16H27NO5 313.188922 NA MeJP NA NA +MJ030819 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, 9-O-[2-Hydroxy-2-(1-hydroxyethyl)-3-methylpentanoyl] C16H27NO5 313.188922 NA MeJP NA NA +MJ030820 Amabiline; 3'-Epimer, O3'-Me, N-oxide C16H27NO5 313.188922 NA MeJP NA NA +MJ030821 Europine; 7-Deoxy C16H27NO5 313.188922 NA MeJP NA NA +MJ030822 Heliotrine C16H27NO5 313.188922 NA MeJP NA NA +MJ030823 Indicine; 2' or 3'-Epimer, O3'-Me C16H27NO5 313.188922 NA MeJP NA NA +MJ030824 Indisetron C17H23N5O 313.19026 NA MeJP NA NA +PJ000260 PVV C15H27N3O4 313.2002 NA PeJP NA NA +MJ030825 1-Methyl-2-(9-oxodecyl)-4(1H)-quinolinone C20H27NO2 313.204179 NA MeJP NA NA +MJ030826 2-Undecyl-4(1H)-quinolinone; 10'-Oxo C20H27NO2 313.204179 NA MeJP NA NA +MJ030827 Alkaloid GB 16 C20H27NO2 313.204179 NA MeJP NA NA +MJ030828 Dienomycin C; O-(2-Methylpropanoyl) C20H27NO2 313.204179 NA MeJP NA NA +MJ030829 Fenalcomine C20H27NO2 313.204179 NA MeJP NA NA +MJ030830 Hetisan-1,15-diol C20H27NO2 313.204179 NA MeJP NA NA +MJ030831 Hetisan-11,18-diol; 11?-form C20H27NO2 313.204179 NA MeJP NA NA +MJ030832 Kobusine C20H27NO2 313.204179 NA MeJP NA NA +MJ030833 Oxilorphan C20H27NO2 313.204179 NA MeJP NA NA +MJ030834 Ryosenaminol; 2-Deoxy C20H27NO2 313.204179 NA MeJP NA NA +MJ030835 Sanyonamine C20H27NO2 313.204179 NA MeJP NA NA +MJ030836 Spiradine B C20H27NO2 313.204179 NA MeJP NA NA +MJ030837 Spirasine XI; 6-Hydroxy C20H27NO2 313.204179 NA MeJP NA NA +MJ030838 Talassamine C20H27NO2 313.204179 NA MeJP NA NA +MJ030839 Venulol C20H27NO2 313.204179 NA MeJP NA NA +MJ030840 Vetrabutine C20H27NO2 313.204179 NA MeJP NA NA +3628 NA RKPKV 313.2045 MH2+ Inhouse_peptide NA peptide +MJ030841 Acetylleucylargininal; L-DL-form C14H27N5O3 313.211389 NA MeJP NA NA +MJ030842 Acetylleucylargininal; L-L-form C14H27N5O3 313.211389 NA MeJP NA NA +MJ030843 Ricasetron C19H27N3O 313.215412 NA MeJP NA NA +CJpos0740 Decenoylcarnitine isomer [(M+H)]+ C17H32NO4 313.224775 C18rt(min)=8.17 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0741 Decenoylcarnitine isomer [(M+H)]+ C17H32NO4 313.224775 C18rt(min)=8.38 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0740 Decenoylcarnitine isomer [(M+H)]+ C17H32NO4 313.224775 C18rt(min)=8.17 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0741 Decenoylcarnitine isomer [(M+H)]+ C17H32NO4 313.224775 C18rt(min)=8.38 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB13205 9-Decenoylcarnitine C17H31NO4 313.225311 NA HMDB2010 NA NA +MJ030844 2-Undecyl-4(1H)-quinolinone; N-Me C21H31NO 313.240564 NA MeJP NA NA +MJ030845 3-Aminopregna-5,17(20)-dien-16-one C21H31NO 313.240564 NA MeJP NA NA +MJ030846 Cogazocine C21H31NO 313.240564 NA MeJP NA NA +MJ030847 Malarboreine; 4,5?,6,7-Tetrahydro C21H31NO 313.240564 NA MeJP NA NA +MJ030848 Ormojanine C20H31N3 313.251798 NA MeJP NA NA +MJ030849 Isoprosopinine A C18H35NO3 313.261693 NA MeJP NA NA +MJ030850 Isoprosopinine B; Natural-form C18H35NO3 313.261693 NA MeJP NA NA +MJ030851 Prosopine; 11'-Ketone C18H35NO3 313.261693 NA MeJP NA NA +MJ030852 Prosopinine C18H35NO3 313.261693 NA MeJP NA NA +MJ030853 Spicigerine C18H35NO3 313.261693 NA MeJP NA NA +C10167 (+)-Prosopinine C18H35NO3 313.2617 NA KEGG NA NA +MJ030854 Julifloridine, N-Me C19H39NO2 313.298079 NA MeJP NA NA +MJ030855 Solacaproine C18H39N3O 313.309312 NA MeJP NA NA +3815 NA WYYP 313.6285 MH2+ Inhouse_peptide NA peptide +8241 Antioxidative peptide LGFEY 313.639 MH2+ Inhouse_peptide NA peptide +MetaCyc02785 tiron [Tiferron;1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt;1,3-benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt;3,5-disulfocatechol disodium salt;4,5-dihydroxy-m-benzenedisulfonic acid disodium salt;dihydroxy benzene disulfonate disodium salt;disodium 1,2-dihydroxybenzene-3,5-disulfonate;disodium 4,5-dihydroxy-m-benzenedisulfonate;disodium 4,5-dihydroxybenzene-1,3-disulfonate;sodium 1,2-dihydroxy-3,5-benzenedisulfonate;sodium 1,2-dihydroxybenzenedisulfonate;sodium 4,5-dihydroxybenzene-1,3-disulfonate;sodium catechol sulfate;sodium pyrocatechol-3,5-disulfonate;disodium pyrocatechol-3,5-disulfonate;] C6H4O8NA2S2 313.914298 NA metacyc NA NA +C11159 Tiron C6H4O8S2 313.9143 NA KEGG NA NA +MJ030856 1,1-Dibromo-2-heptanol, Ac C9H16Br2O2 313.951705 NA MeJP NA NA +MJ030857 Dichlofenthion C10H13Cl2O3PS 313.970006 NA MeJP NA NA +MJ030858 N-(4-Chlorophenyl)-N'-(3,4-dichlorophenyl)urea C13H9Cl3N2O 313.978046 NA MeJP NA NA +MJ030859 Chlorophenylmercury C6H5ClHg 313.978603 NA MeJP NA NA +MJ030860 Loflucarban C13H9Cl2FN2S 313.984752 NA MeJP NA NA +MJ030861 4-[(Carboxymethyl)imino]-5,7-dichloro-1,4-dihydro-2-quinolinecarboxylic acid C12H8Cl2N2O4 313.986112 NA MeJP NA NA +MJ030862 1,2-Dihydro-4-iodo-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one C11H11IN2O 313.991606 NA MeJP NA NA +MJ030863 Ellagic acid; 2,3-Methylene ether C15H6O8 314.006267 NA MeJP NA NA +MJ030864 8-Chloro-7-(dichloromethyl)-1-hydroxy-3-methyl-7-octen-4-one, Ac C12H17Cl3O3 314.024327 NA MeJP NA NA +FL5FEANS0019 Gomphrenol C16H10O7 314.04265 70610-25-2 knapsack NA NA +FL5FPTNS0001 2,3,8,10-Tetrahydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one C16H10O7 314.04265 77394-26-4 knapsack NA NA +FL5FPTNS0004 Fasciculiferin;2,3,5,10-Tetrahydroxy-[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one C16H10O7 314.04265 73774-81-9 knapsack NA NA +FLIAQUNS0001 5-Hydroxybowdichione C16H10O7 314.04265 112448-38-1 knapsack NA NA +FLIECCNS0001 Wedelolactone;1,8,9-Trihydroxy-3-methoxycoumestan;5,11,12-Trihydroxy-7-methoxycoumestan C16H10O7 314.04265 524-12-9 knapsack NA NA +MJ030865 1,2,3,6,7-Pentahydroxyxanthone; 2,3:6,7-Bis(methylene), 1-Me ether C16H10O7 314.042652 NA MeJP NA NA +MJ030866 1,2,3,7,8-Pentahydroxyxanthone; 2,3:7,8-Bis(methylene), 1-Me ether C16H10O7 314.042652 NA MeJP NA NA +MJ030867 1,3,5,6-Tetrahydroxy-2-hydroxymethylanthraquinone; 1'-Aldehyde, 6-Me ether C16H10O7 314.042652 NA MeJP NA NA +MJ030868 1,3,8,9-Tetrahydroxycoumestan; 3-Me ether C16H10O7 314.042652 NA MeJP NA NA +MJ030869 1,6,8-Trihydroxy-3-methylanthraquinone-2-carboxylic acid C16H10O7 314.042652 NA MeJP NA NA +MJ030870 1-Acetyl-2,4,5,7-tetrahydroxyanthraquinone C16H10O7 314.042652 NA MeJP NA NA +MJ030871 2,3,8,10-Tetrahydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one C16H10O7 314.042652 NA MeJP NA NA +MJ030872 2,7-Dihydroxy-6-(4-hydroxy-6-oxopyran-2-yl)-5-methyl-1,4-naphthoquinone C16H10O7 314.042652 NA MeJP NA NA +MJ030873 2-Acetyl-1,3,6,8-tetrahydroxyanthraquinone C16H10O7 314.042652 NA MeJP NA NA +MJ030874 3,4',5,6,7-Pentahydroxyflavone; 6,7-Methylene ether C16H10O7 314.042652 NA MeJP NA NA +MJ030875 3,6,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid C16H10O7 314.042652 NA MeJP NA NA +MJ030876 4,5,7-Trihydroxyanthraquinone-2-carboxylic acid; 7-Me ether C16H10O7 314.042652 NA MeJP NA NA +MJ030877 Ayamenin B; 8-Hydroxy, 2-methoxy C16H10O7 314.042652 NA MeJP NA NA +MJ030878 Bowdichione; 5-Hydroxy C16H10O7 314.042652 NA MeJP NA NA +MJ030879 Desmoxyphyllin B; 5-Hydroxy C16H10O7 314.042652 NA MeJP NA NA +MJ030880 Fasciculiferin C16H10O7 314.042652 NA MeJP NA NA +MJ030881 Majoronal C16H10O7 314.042652 NA MeJP NA NA +MJ030882 Porphyrilic acid C16H10O7 314.042652 NA MeJP NA NA +MJ030883 Variolaric acid C16H10O7 314.042652 NA MeJP NA NA +C10541 Wedelolactone C16H10O7 314.0427 NA KEGG NA NA +MJ030884 Perforene C15H20BrCl 314.04369 NA MeJP NA NA +C06921 Clorazepate C16H11ClN2O3 314.0458 NA KEGG NA NA +MJ030885 Clorazepic acid C16H11ClN2O3 314.045819 NA MeJP NA NA +MJ030886 Tesicam C16H11ClN2O3 314.045819 NA MeJP NA NA +C04376 5'-Phosphoribosyl-N-formylglycinamide C8H15N2O9P 314.0515 NA KEGG NA NA +HMDB01308 5'-Phosphoribosyl-N-formylglycinamide C8H15N2O9P 314.05151 http://www.hmdb.ca/metabolites/HMDB01308 HMDB NA NA +HMDB01308 5'-Phosphoribosyl-N-formylglycinamide C8H15N2O9P 314.05151 HMDB01308 PFEM_hmdb_metabocards_official NA NA +HMDB01308 5'-Phosphoribosyl-N-formylglycinamide C8H15N2O9P 314.051514 NA HMDB2010 NA NA +MJ030887 5'-Phosphoribosyl-N-formylglycinamide C8H15N2O9P 314.051516 NA MeJP NA NA +MetaCyc02786 5'-phosphoribosyl-N-formylglycineamide [N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide;5'-P-ribosyl-N-formylglycineamide;5'-phosphoribosyl-N-formylglycinamide;5'-phosphoribosyl-N-formylglycineamide;FGAR;5-phosphoribosyl-N-formalglycineamide;5'-phosphoribosyl-formylglycinamide;] C8H15N2O9P1 314.051517 NA metacyc NA NA +MJ030888 Lomofungin C15H10N2O6 314.053886 NA MeJP NA NA +MJ030889 4,9-Dihydroxy-3,10-perylenedione C20H10O4 314.057908 NA MeJP NA NA +C07498 Malaoxon C10H19O7PS 314.0589 NA KEGG NA NA +MJ030890 4-[4-(Methylthio)phenyl]-3-phenyl-2(5H)-furanone; S,S-Dioxide C17H14O4S 314.061279 NA MeJP NA NA +MJ030891 4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol; 2-Hydroxy, di-Ac C17H14O4S 314.061279 NA MeJP NA NA +C07590 Rofecoxib C17H14O4S 314.0613 NA KEGG NA NA +C11185 Nuarimol C17H12ClFN2O 314.0622 NA KEGG NA NA +HMDB10313 1-Salicylate glucuronide C13H14O9 314.063782 NA HMDB2010 NA NA +HMDB10314 Beta-D-Glucopyranuronic acid C13H14O9 314.063782 NA HMDB2010 NA NA +MJ030892 Bergenin; O-De-Me C13H14O9 314.063782 NA MeJP NA NA +C06939 Dantrolene C14H10N4O5 314.0651 NA KEGG NA NA +MJ030893 Dantrolene C14H10N4O5 314.065119 NA MeJP NA NA +C00341 Geranyl diphosphate C10H20O7P2 314.0684 NA KEGG NA NA +C00342 Thioredoxin C10H14N4O4S2R4 314.0684 NA KEGG NA NA +C00343 Thioredoxin disulfide C10H12N4O4S2R4 314.0684 NA KEGG NA NA +C00344 Phosphatidylglycerol C8H13O10PR2 314.0684 NA KEGG NA NA +C02569 Neryl diphosphate C10H20O7P2 314.0684 NA KEGG NA NA +C03190 (+)-Bornyl-diphosphate C10H20O7P2 314.0684 NA KEGG NA NA +C03193 (5-L-Glutamyl)-peptide C7H11N2O5R 314.0684 NA KEGG NA NA +C05308 Linalyl diphosphate C10H20O7P2 314.0684 NA KEGG NA NA +C05309 Semiquinone C10H20O7P2 314.0684 NA KEGG NA NA +C05310 Ferricytochrome c-552.5 C10H20O7P2 314.0684 NA KEGG NA NA +C05312 [Formate C-acetyltransferase]-glycin-2-yl radical C3H3N2O2R2 314.0684 NA KEGG NA NA +C18051 Chrysanthemyl diphosphate C10H20O7P2 314.0684 NA KEGG NA NA +C18052 Lavandulyl diphosphate C10H20O7P2 314.0684 NA KEGG NA NA +HMDB02239 Geranyl pyrophosphate C10H20O7P2 314.06842 http://www.hmdb.ca/metabolites/HMDB02239 HMDB NA NA +HMDB02239 Geranyl pyrophosphate C10H20O7P2 314.06842 HMDB02239 PFEM_hmdb_metabocards_official NA NA +HMDB01285 Geranyl-PP C10H20O7P2 314.06842 NA HMDB2010 NA NA +MJ030894 Geranyl diphosphate C10H20O7P2 314.068426 NA MeJP NA NA +MetaCyc02787 geranyl-PP [GPP;geranyl-diphosphate;geranyl-pyrophosphate;] C10H20O7P2 314.068426 NA metacyc NA NA +MetaCyc02788 nerylpyrophosphate [neryldiphosphate;NPP;] C10H20O7P2 314.068426 16751-02-3 metacyc NA NA +MetaCyc02789 (+)-bornyl-diphosphate [] C10H20O7P2 314.068426 NA metacyc NA NA +HMDB05033 Valdecoxib C16H14N2O3S 314.07251 http://www.hmdb.ca/metabolites/HMDB05033 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05033 Valdecoxib C16H14N2O3S 314.07251 http://www.hmdb.ca/metabolites/HMDB05033 HMDB NA NA +HMDB05033 Valdecoxib C16H14N2O3S 314.07251 http://www.hmdb.ca/metabolites/HMDB05033 PFEM_hmdb_metabocards_blood NA blood +HMDB05033 Valdecoxib C16H14N2O3S 314.07251 HMDB05033 PFEM_hmdb_metabocards_official NA NA +HMDB05033 Valdecoxib C16H14N2O3S 314.07251 NA HMDB2010 NA NA +MJ030895 Valdecoxib C16H14N2O3S 314.072513 NA MeJP NA NA +MJ030896 Nikkomycin Sox; 6-Deoxy C12H14N2O8 314.075015 NA MeJP NA NA +MJ030897 Nikkomycin Soz; 6-Deoxy C12H14N2O8 314.075015 NA MeJP NA NA +C10407 Ventinone A C17H14O6 314.079 NA KEGG NA NA +C10471 Irisolidone C17H14O6 314.079 NA KEGG NA NA +C10516 Pisatin C17H14O6 314.079 NA KEGG NA NA +C15100 6-Hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one C17H14O6 314.079 NA KEGG NA NA +C16418 Pinobanksin 3-O-acetate C17H14O6 314.079 NA KEGG NA NA +C16753 Aflatoxin B2 C17H14O6 314.079 NA KEGG NA NA +C17784 4'-Methylcapillarisin C17H14O6 314.079 NA KEGG NA NA +C17785 7-Methylcapillarisin C17H14O6 314.079 NA KEGG NA NA +FL1ABCNM0001 6,3',4'-Trihydroxy-4-methoxy-5-methylaurone C17H14O6 314.07903 171204-57-2 knapsack NA NA +FL1ABCNM0002 6,3',4'-Trihydroxy-4-methoxy-7-methylaurone C17H14O6 314.07903 213979-98-7 knapsack NA NA +FL1C2CNS0002 Prosogerin B C17H14O6 314.07903 70981-47-4 knapsack NA NA +FL1CEANS0004 4,2'-Dihydroxy-6'-methoxy-3',4'-methylenedioxychalcone C17H14O6 314.07903 73694-19-6 knapsack NA NA +FL1CHYNM0002 3'-Formyl-2',4',6',beta-tetrahydroxy-5'-methylchalcone C17H14O6 314.07903 59677-76-8 knapsack NA NA +FL1CQUNS0002 Methylpedicinin C17H14O6 314.07903 77646-06-1 knapsack NA NA +FL3F2CNS0001 Abrectorin C17H14O6 314.07903 76575-03-6 knapsack NA NA +FL3FAFNS0001 Luteolin 3',4'-dimethyl ether;5,7-Dihydroxy-3',4'-dimethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C17H14O6 314.07903 03/12/4712 knapsack NA NA +FL3FBDNS0001 Luteolin 5,3'-dimethyl ether;Chrysoeriol 5-methyl ether;7-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-4H-1-benzopyran-4-one C17H14O6 314.07903 62346-14-9 knapsack NA NA +FL3FBENS0001 7,3'-Dihydroxy-5,4'-dimethoxyflavone;7-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-methoxy-4H-1-benzopyran-4-one C17H14O6 314.07903 72629-61-9 knapsack NA NA +FL3FCCNM0001 5,3',4'-Trihydroxy-7-methoxy-6-methylflavone;2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-methyl-4H-1-benzopyran-4-one C17H14O6 314.07903 630426-79-8 knapsack NA NA +FL3FCDNS0001 Velutin;Flavoyadorigenin B;Luteolin 7,3'-dimethyl ether;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C17H14O6 314.07903 25739-41-7 knapsack NA NA +FL3FCENS0001 Pilloin;5,3'-Dihydroxy-7,4'-dimethoxyflavone;Luteolin 7,4'-dimethyl ether;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C17H14O6 314.07903 32174-62-2 knapsack NA NA +FL3FEANS0005 Cirsimaritin C17H14O6 314.07903 6601-62-3 knapsack NA NA +FL3FEANS0006 Pectolinarigenin C17H14O6 314.07903 520-12-7 knapsack NA NA +FL3FEANS0007 Ladanein C17H14O6 314.07903 10176-71-3 knapsack NA NA +FL3FF8NS0003 Skullcapflavone I;5-Hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one C17H14O6 314.07903 41060-16-6 knapsack NA NA +FL3FF8NS0004 5,7-Dihydroxy-8,2'-dimethoxyflavone C17H14O6 314.07903 95480-81-2 knapsack NA NA +FL3FFANS0005 Isoscutellarein 7,8-dimethyl ether C17H14O6 314.07903 6608-33-9 knapsack NA NA +FL3FFANS0006 Bucegin;Galangustin;5,7-Dihydroxy-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C17H14O6 314.07903 65501-87-3 knapsack NA NA +FL3FFANS0008 5,8-dihydroxy-7,4'-dimethoxyflavone;5,8-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C17H14O6 314.07903 89456-41-7 knapsack NA NA +FL3FG9NS0001 5,8-Dihydroxy-6,7-dimethoxyflavone;5,8-Dihydroxy-6,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one C17H14O6 314.07903 73202-52-5 knapsack NA NA +FL3FG9NS0005 5,7-Dihydroxy-6,8-dimethoxyflavone C17H14O6 314.07903 - knapsack NA NA +FL4DA9NS0006 (2R,3R)-Pinobanksin 3-acetate C17H14O6 314.07903 52117-69-8 knapsack NA NA +FL4DA9NS0007 (2R,3S)-Pinobanksin 3-acetate C17H14O6 314.07903 102092-27-3 knapsack NA NA +FL4DE9NS0003 3-Hydroxy-5-methoxy-6,7-methylenedioxyflavanone C17H14O6 314.07903 83532-20-1 knapsack NA NA +FL5F2ANS0001 7,4'-Dihydroxy-3,6-dimethoxyflavone C17H14O6 314.07903 68007-24-9 knapsack NA NA +FL5F3ANS0003 3,4'-Dihydroxy-7,8-dimethoxyflavone C17H14O6 314.07903 57499-07-7 knapsack NA NA +FL5F9CNM0001 Sylpin C17H14O6 314.07903 65501-41-9 knapsack NA NA +FL5FBBNS0001 3,7-Dihydroxy-5,4'-dimethoxyflavone;3,7-Dihydroxy-5-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C17H14O6 314.07903 33554-54-0 knapsack NA NA +FL5FCBNS0001 Kaempferol 7,4'-dimethyl ether;3,5-Dihydroxy-7,4'-dimethoxyflavone;3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C17H14O6 314.07903 15486-33-6 knapsack NA NA +FL5FDANM0001 5,7,4'-Trihydroxy-3-methoxy-6-methylflavone C17H14O6 314.07903 70059-33-5 knapsack NA NA +FL5FDANS0002 Kaempferol 3,5-dimethyl ether;7,4'-Dihydroxy-3,5-dimethoxyflavone;7-Hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-4H-1-benzopyran-4-one C17H14O6 314.07903 1486-65-3 knapsack NA NA +FL5FDANS0003 Kumatakenin;Kumatakillin;5,4'-Dihydroxy-3,7-dimethoxyflavone;Jaranol;Kaempferol 3,7-O-dimethyl ether;5-Hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one C17H14O6 314.07903 3301-49-3 knapsack NA NA +FL5FDBNS0001 Ermanin;5,7-Dihydroxy-3,4'-dimethoxyflavone;Kaempferol 3,4'-di-O-methyl ether;5,7-Dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C17H14O6 314.07903 20869-95-8 knapsack NA NA +FL5FE9NS0003 5,7-Dihydroxy-3,6-dimethoxyflavone;3-O-Methylalnusin;Alnusin 3-methyl ether;5,7-Dihydroxy-3,6-dimethoxy-2-phenyl-4H-1-benzopyran-4-one C17H14O6 314.07903 59917-40-7 knapsack NA NA +FL5FE9NS0004 5,6-Dihydroxy-3,7-dimethoxyflavone;5,6-Dihydroxy-3,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one C17H14O6 314.07903 73213-67-9 knapsack NA NA +FL5FE9NS0005 3,7-Dihydroxy-5,6-dimethoxyflavone;3,7-Dihydroxy-5,6-dimethoxy-2-phenyl-4H-1-benzopyran-4-one C17H14O6 314.07903 84323-36-4 knapsack NA NA +FL5FE9NS0006 3,6-Dihydroxy-5,7-dimethoxyflavone C17H14O6 314.07903 - knapsack NA NA +FL5FE9NS0007 3,5-Dihydroxy-6,7-dimethoxyflavone C17H14O6 314.07903 122006-31-9 knapsack NA NA +FL5FF9NM0002 Platanin 3-methyl ether C17H14O6 314.07903 135905-59-8 knapsack NA NA +FL5FF9NM0003 3,5,8-Trihydroxy-7-methoxy-6-methylflavone C17H14O6 314.07903 97208-76-9 knapsack NA NA +FL5FF9NM0004 Pityrogrammin C17H14O6 314.07903 55601-60-0 knapsack NA NA +FL5FF9NS0005 Isognaphaliin;5,8-Dihydroxy-3,7-dimethoxyflavone;5,8-Dihydroxy-3,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one C17H14O6 314.07903 33803-31-5 knapsack NA NA +FL5FF9NS0006 Gnaphaliin;5,7-Dihydroxy-3,8-dimethoxyflavone;3-O-Methyl-8-methoxygalangin;5,7-Dihydroxy-3,8-dimethoxy-2-phenyl-4H-1-benzopyran-4-one C17H14O6 314.07903 33803-42-8 knapsack NA NA +FL5FF9NS0007 3,5-Dihydroxy-7,8-dimethoxyflavone;3,5-Dihydroxy-7,8-dimethoxy-2-phenyl-4H-1-benzopyran-4-one C17H14O6 314.07903 22399-73-1 knapsack NA NA +FLIA2CNS0002 Odoratin C17H14O6 314.07903 53948-00-8 knapsack NA NA +FLIA2LNS0006 7,2'-Dihydroxy-6,4'-dimethoxyisoflavone C17H14O6 314.07903 73354-23-1 knapsack NA NA +FLIA3CNS0002 3'-Hydroxy-8-O-methylretusin C17H14O6 314.07903 53947-99-2 knapsack NA NA +FLIA4ANS0001 Dipteryxin C17H14O6 314.07903 53948-01-9 knapsack NA NA +FLIAAFNS0001 Pratensein 3'-O-methyl ether;5,7-Dihydroxy-3',4'-dimethoxyisoflavone C17H14O6 314.07903 53084-11-0 knapsack NA NA +FLIAALNS0004 2'-Methoxybiochanin A;5,7-Dihydroxy-2',4'-dimethoxyisoflavone C17H14O6 314.07903 61243-75-2 knapsack NA NA +FLIAALNS0008 2',4'-Dihydroxy-5,7-dimethoxyisoflavone C17H14O6 314.07903 131862-36-7 knapsack NA NA +FLIACDNS0001 7,3'-Dimethylorobol;5,4'-Dihydroxy-7,3'-dimethoxyisoflavone C17H14O6 314.07903 104668-88-4 knapsack NA NA +FLIACENS0001 5,3'-Dihydroxy-7,4'-dimethoxyisoflavone C17H14O6 314.07903 83459-56-7 knapsack NA NA +FLIAE8NS0005 5,7-Dihydroxy-6,2'-dimethoxyisoflavone C17H14O6 314.07903 94285-21-9 knapsack NA NA +FLIAEANS0002 Irisolidone;4'-O-Methyltectorigenin;5,7-Dihydroxy-6,4'-dimethoxyisoflavone C17H14O6 314.07903 2345-17-7 knapsack NA NA +FLIAEANS0006 7-O-Methyltectorigenin;5,4'-Dihydroxy-6,7-dimethoxyisoflavone C17H14O6 314.07903 1096-58-8 knapsack NA NA +FLIAEANS0007 Muningin;6,4'-Dihydroxy-5,7-dimethoxyisoflavone C17H14O6 314.07903 479-83-4 knapsack NA NA +FLIAF8NS0001 5,2'-Dihydroxy-7,8-dimethoxyisoflavone C17H14O6 314.07903 115713-23-0 knapsack NA NA +FLIB1LNS0007 Onogenin;7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflavanone C17H14O6 314.07903 58116-57-7 knapsack NA NA +FLID2CNS0001 2-Hydroxyhomopterocarpin C17H14O6 314.07903 30461-92-8 knapsack NA NA +FLID3CNS0002 4-Methoxymaackiain C17H14O6 314.07903 2694-69-1 knapsack NA NA +FLID3CNS0003 4-Hydroxypterocarpin C17H14O6 314.07903 69626-65-9 knapsack NA NA +FLIDHXNS0001 (+)-Pisatin;6a-Hydroxy-3-methoxy-8,9-methylenedioxypterocarpan C17H14O6 314.07903 469-01-2 knapsack NA NA +FLIDHYNS0004 Sophoracarpan B;6-Methoxymaackiain;(6R,6aS,11aR)-3-Hydroxy-6-methoxy-8,9-methylenedioxypterocarpan C17H14O6 314.07903 104700-88-1 knapsack NA NA +FLNA2CNS0001 Melannein;6,3'-Dihydroxy-7,4'-dimethoxy-4-phenylcoumarin C17H14O6 314.07903 10386-55-7 knapsack NA NA +FLNABENS0001 7,3'-Dihydroxy-5,4'-dimethoxy-4-phenylcoumarin C17H14O6 314.07903 91780-05-1 knapsack NA NA +FLNACENS0001 5,3'-Dihydroxy-7,4'-dimethoxy-4-phenylcoumarin C17H14O6 314.07903 117783-75-2 knapsack NA NA +FLNADCNS0001 3',4'-Dihydroxy-5,7-dimethoxy-4-phenylcoumarin C17H14O6 314.07903 88126-47-0 knapsack NA NA +MJ030898 1,2,3,4-Tetrahydroxyanthraquinone; 1,3,4-Tri-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030899 1,2,3,5-Tetrahydroxy-6-methylanthraquinone; 1,2-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030900 1,2,3,5-Tetrahydroxy-6-methylanthraquinone; 1,3-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030901 1,2,3,5-Tetrahydroxy-6-methylanthraquinone; 2,3-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030902 1,2,3,8-Tetrahydroxy-6-methylanthraquinone; 1,3-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030903 1,2,3,8-Tetrahydroxy-7-methylanthraquinone; 1,2-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030904 1,2,3,8-Tetrahydroxy-7-methylanthraquinone; 1,3-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030905 1,2,3,8-Tetrahydroxy-7-methylanthraquinone; 2,3-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030906 1,2,4,5-Tetrahydroxy-7-methylanthraquinone; 1,2-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030907 1,2,4,5-Tetrahydroxy-7-methylanthraquinone; 2,5-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030908 1,2,5-Trihydroxy-6-hydroxymethylanthraquinone; 1,2-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030909 1,2,6,8-Tetrahydroxyanthraquinone; 1,6,8-Tri-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030910 1,2,6,8-Tetrahydroxyanthraquinone; 2,6,8-Tri-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030911 1,3,6,8-Tetrahydroxy-2-methylanthraquinone; 6,8-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030912 1,3,8-Trihydroxy-6-(3-hydroxypropyl)anthraquinone C17H14O6 314.079038 NA MeJP NA NA +MJ030913 1,3,8-Trihydroxy-6-hydroxymethylanthraquinone; 1',8-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030914 1,3,8-Trihydroxy-6-hydroxymethylanthraquinone; 1,3-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030915 1,4,5,7-Tetrahydroxy-2,3-dimethylanthraquinone; 7-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030916 1,4,6,8-Tetrahydroxy-2-methylanthraquinone; 6,8-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030917 1-(3-Formyl-2,4,6-trihydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione C17H14O6 314.079038 NA MeJP NA NA +MJ030918 2',3',4',7-Tetrahydroxyisoflavone; 3',4'-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030919 2',3',4,4',6'-Pentahydroxychalcone; 6'-Me, 3',4'-methylene ether C17H14O6 314.079038 NA MeJP NA NA +MJ030920 2',3,4,4',5'-Pentahydroxychalcone; 5'-Me, 3,4-methylene ether C17H14O6 314.079038 NA MeJP NA NA +MJ030921 2',4',5',7-Tetrahydroxyisoflavanone, 4',5'-Methylene, 2'-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030922 2',4',5',7-Tetrahydroxyisoflavone; 4',5'-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030923 2',4',5,7-Tetrahydroxyisoflavone; 2',4'-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030924 2',4',5,7-Tetrahydroxyisoflavone; 2',5-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030925 2',4',5,7-Tetrahydroxyisoflavone; 4',7-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030926 2',4',5,7-Tetrahydroxyisoflavone; 5,7-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030927 2',4',6,7-Tetrahydroxyisoflavone; 4',6-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030928 2',5,6,7-Tetrahydroxyisoflavone; 2',6-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030929 2',5,6,7-Tetrahydroxyisoflavone; 6,7-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030930 2',5,7,8-Tetrahydroxyflavone; 2',8-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030931 2',5,7,8-Tetrahydroxyflavone; 7,8-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030932 2',5,7,8-Tetrahydroxyisoflavone; 7,8-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030933 2,3,4,7-Tetrahydroxyphenanthraquinone; 3,4,7-Tri-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030934 2,3,6,7-Tetrahydroxy-1,4-phenanthraquinone; 2,3,6-Tri-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030935 2,3,8,9-Tetrahydroxypterocarpan; 2-Me, 8,9-methylene ether C17H14O6 314.079038 NA MeJP NA NA +MJ030936 2,3,8,9-Tetrahydroxypterocarpan; 3-Me, 8,9-methylene ether C17H14O6 314.079038 NA MeJP NA NA +MJ030937 2,5,6,7-Tetrahydroxy-4-phenanthrenecarboxylic acid; 6,7-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030938 2,5,7-Trihydroxy-6-methyl-4H-1-benzopyran-4-one; 2-(4-Hydroxyphenyl), 7-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030939 2-(3,4-Dihydroxyphenyl)ethenol, 1-O-3,4-Dihydroxycinnamoyl(E-) C17H14O6 314.079038 NA MeJP NA NA +MJ030940 3',4',5',7-Tetrahydroxyisoflavone; 3',5'-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030941 3',4',5,7-Tetrahydroxyisoflavone; 3',4'-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030942 3',4',5,7-Tetrahydroxyisoflavone; 3',5-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030943 3',4',5,7-Tetrahydroxyisoflavone; 3',7-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030944 3',4',6,7-Tetrahydroxyflavone; 3',6-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030945 3',4',6,7-Tetrahydroxyflavone; 4',6-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030946 3',4',6,7-Tetrahydroxyisoflavone; 4',6-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030947 3',4',7,8-Tetrahydroxyisoflavone; 4',7-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030948 3',4',7,8-Tetrahydroxyisoflavone; 4',8-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030949 3',4'-Dihydroxy-5,7-dimethoxyflavone C17H14O6 314.079038 NA MeJP NA NA +MJ030950 3',4,4',6-Tetrahydroxy-5-methylaurone; 4-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030951 3',5-Dihydroxy-4',7-dimethoxyflavone C17H14O6 314.079038 NA MeJP NA NA +MJ030952 3',7-Dihydroxy-4',5-dimethoxyflavone C17H14O6 314.079038 NA MeJP NA NA +MJ030953 3,3',4',7-Tetrahydroxyflavanone, 3',4'-Methylene ether , 7-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030954 3,3',4',7-Tetrahydroxyflavone; 7-Et ether C17H14O6 314.079038 NA MeJP NA NA +MJ030955 3,4',5,6-Tetrahydroxy-8-methylflavone; 3-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030956 3,4',5,6-Tetrahydroxyflavone; 3,6-Di Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030957 3,4',5,7-Tetrahydroxy-6-methylflavone; 3-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030958 3,4',6,7-Tetrahydroxyflavone; 3,6-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030959 3,4',7,8-Tetrahydroxyflavone; 7,8-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030960 3,4',7-Trihydroxyflavanone, 3-Ac C17H14O6 314.079038 NA MeJP NA NA +MJ030961 3,4,8,9-Tetrahydroxypterocarpan, 8,9-Methylene, 3-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030962 3,4,8,9-Tetrahydroxypterocarpan, 8,9-Methylene, 4-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030963 3,4,8,9-Tetrahydroxypterocarpan, 8,9-Methylene, 3-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030964 3,5,6,7-Tetrahydroxyflavanone, 5-Me, 6,7-methylene ether C17H14O6 314.079038 NA MeJP NA NA +MJ030965 3,5,6,7-Tetrahydroxyflavone; 3,6-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030966 3,5,6,7-Tetrahydroxyflavone; 3,7-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030967 3,5,6,7-Tetrahydroxyflavone; 5,6-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030968 3,5,6,7-Tetrahydroxyflavone; 5,7-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030969 3,5,6,7-Tetrahydroxyflavone; 6,7-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030970 3,5,7,8-Tetrahydroxy-6-methylflavone; 3-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030971 3,5,7,8-Tetrahydroxy-6-methylflavone; 7-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030972 3,5,7,8-Tetrahydroxy-6-methylflavone; 8-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030973 3,5,7,8-Tetrahydroxyflavone; 3,7-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030974 3,5,7,8-Tetrahydroxyflavone; 3,8-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030975 3,5,7,8-Tetrahydroxyflavone; 7,8-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030976 3,5,7-Trihydroxyflavanone, 3-Ac C17H14O6 314.079038 NA MeJP NA NA +MJ030977 3,5-Dihydroxy-4',7-dimethoxyflavone C17H14O6 314.079038 NA MeJP NA NA +MJ030978 3,6a,8,9-Tetrahydroxypterocarpan, 3-Me, 8,9-methylene ether C17H14O6 314.079038 NA MeJP NA NA +MJ030979 3,8-Dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid; Me ester, 3-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030980 3-(3,4-Dihydroxybenzylidene)-5,7-dihydroxy-4-chromanone, 5-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030981 4',5,6,7-Tetrahydroxyflavone; 4',5-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030982 4',5,6,7-Tetrahydroxyisoflavone; 4',6-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030983 4',5,6,7-Tetrahydroxyisoflavone; 5,7-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030984 4',5,6,7-Tetrahydroxyisoflavone; 6,7-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030985 4',5,7,8-Tetrahydroxyflavone; 4',7-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030986 4',5,7,8-Tetrahydroxyflavone; 4',8-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030987 4',5,7,8-Tetrahydroxyflavone; 7,8-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030988 4',5,7,8-Tetrahydroxyisoflavone; 4',8-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030989 4',5-Dihydroxy-3',7-dimethoxyflavone C17H14O6 314.079038 NA MeJP NA NA +MJ030990 4',5-Dihydroxy-3,7-dimethoxyflavone C17H14O6 314.079038 NA MeJP NA NA +MJ030991 4',5-Dihydroxy-6,7-dimethoxyflavone C17H14O6 314.079038 NA MeJP NA NA +MJ030992 4',6,7,8-Tetrahydroxyisoflavone; 4',6-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030993 4',7-Dihydroxy-3',5-dimethoxyflavone C17H14O6 314.079038 NA MeJP NA NA +MJ030994 4',7-Dihydroxy-3,5-dimethoxyflavone C17H14O6 314.079038 NA MeJP NA NA +MJ030995 4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 4',5-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030996 4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 5,7-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030997 4-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-2H-1-benzopyran-2-one; 4',7-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030998 5,6,7,8-Tetrahydroxyflavone; 6,8-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ030999 5,6,7,8-Tetrahydroxyflavone; 7,8-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ031000 5,6,7,8-Tetrahydroxyisoflavone; 6,7-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ031001 5,6-Dihydroxy-4',7-dimethoxyflavone C17H14O6 314.079038 NA MeJP NA NA +MJ031002 5,7,8-Trihydroxy-3-(4-hydroxybenzylidene)-4-chromanone; 8-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ031003 5,7,8-Trihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one; 5,7-Di-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ031004 5,7-Dihydroxy-3',4'-dimethoxyflavone C17H14O6 314.079038 NA MeJP NA NA +MJ031005 5,7-Dihydroxy-3,4'-dimethoxyflavone C17H14O6 314.079038 NA MeJP NA NA +MJ031006 5,7-Dihydroxy-4',6-dimethoxyflavone C17H14O6 314.079038 NA MeJP NA NA +MJ031007 8-Formyl-2,5,7-trihydroxy-6-methylflavanone C17H14O6 314.079038 NA MeJP NA NA +MJ031008 Aflatoxicol C17H14O6 314.079038 NA MeJP NA NA +MJ031009 Aflatoxin B1, 15,16-Dihydro C17H14O6 314.079038 NA MeJP NA NA +MJ031010 Aglalactone C17H14O6 314.079038 NA MeJP NA NA +MJ031011 Brahene C17H14O6 314.079038 NA MeJP NA NA +MJ031012 Eucomin, 6-Methoxy, 4'-O-de-Me C17H14O6 314.079038 NA MeJP NA NA +MJ031013 Flavidin; 5-Oxo, 8-methoxy, 6-hydroxy, 7-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ031014 Gliricidol C17H14O6 314.079038 NA MeJP NA NA +MJ031015 Involutin C17H14O6 314.079038 NA MeJP NA NA +MJ031016 Isorhodoptilometrin; Opt. active-form C17H14O6 314.079038 NA MeJP NA NA +MJ031017 Muscomosin C17H14O6 314.079038 NA MeJP NA NA +MJ031018 Pedicinin; 6'-Me ether C17H14O6 314.079038 NA MeJP NA NA +MJ031019 Punctatin C17H14O6 314.079038 NA MeJP NA NA +MJ031020 Rhodoptilometrin C17H14O6 314.079038 NA MeJP NA NA +MJ031021 Salvianolic acid F C17H14O6 314.079038 NA MeJP NA NA +MJ031022 3',4',5,6,7-Pentahydroxyflavylium(1+); 4',5-Di-Me ether C17H15O6(+) 314.079038 NA MeJP NA NA +MetaCyc02790 (+)-pisatin [] C17H14O6 314.079038 NA metacyc NA NA +MJ031023 Sulfenosine C10H14N6O4S 314.079723 NA MeJP NA NA +MJ031024 Sulfaphenazole C15H14N4O2S 314.083746 NA MeJP NA NA +MJ031025 10-Bromo-1,7(14)-chamigradiene-3,9-diol C15H23BrO2 314.088142 NA MeJP NA NA +MJ031026 Aplysistatin; 12-Deoxo C15H23BrO2 314.088142 NA MeJP NA NA +MJ031027 Guimarediol C15H23BrO2 314.088142 NA MeJP NA NA +MJ031028 Cinnabarine; N-Me, Me ester C16H14N2O5 314.090271 NA MeJP NA NA +MJ031029 Nybomycin; 1'-Hydroxy C16H14N2O5 314.090271 NA MeJP NA NA +C12767 Dibenzthion C17H18N2S2 314.0911 NA KEGG NA NA +MJ031030 Sulbentine C17H18N2S2 314.091139 NA MeJP NA NA +MJ031031 Crotoxyphos C14H19O6P 314.091924 NA MeJP NA NA +C09358 Chlorochrymorin C15H19ClO5 314.0921 NA KEGG NA NA +MJ031032 1-Chloro-3,4-epoxy-2,10-dihydroxy-11(13)-guaien-12,6-olide C15H19ClO5 314.092101 NA MeJP NA NA +MJ031033 14-Chloro-3,5,10-trihydroxy-4(15),11(13)-guaiadien-12,8-olide C15H19ClO5 314.092101 NA MeJP NA NA +MJ031034 15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide C15H19ClO5 314.092101 NA MeJP NA NA +MJ031035 3-Chloro-1,2-epoxy-4,10-dihydroxy-11(13)-guaien-12,6-olide C15H19ClO5 314.092101 NA MeJP NA NA +MJ031036 4-Chloro-1,2-epoxy-3,10-dihydroxy-11(13)-guaien-12,6-olide C15H19ClO5 314.092101 NA MeJP NA NA +MJ031037 Chlorochrymorin C15H19ClO5 314.092101 NA MeJP NA NA +C17372 Epithienamycin A C13H18N2O5S 314.0936 NA KEGG NA NA +C17377 N-Acetylthienamycin C13H18N2O5S 314.0936 NA KEGG NA NA +C17378 O-Acylpseudotropine C9H14NO2R 314.0936 NA KEGG NA NA +C17397 Epithienamycin C C13H18N2O5S 314.0936 NA KEGG NA NA +MJ031038 N-[2-(Cyclohexyloxy)-4-nitrophenyl]methanesulfonamide C13H18N2O5S 314.093642 NA MeJP NA NA +MJ031039 Thienamycin; 6,8-Diepimer, N-Ac C13H18N2O5S 314.093642 NA MeJP NA NA +MJ031040 Thienamycin; 8-Epimer, N-Ac C13H18N2O5S 314.093642 NA MeJP NA NA +MJ031041 Thienamycin; N-Ac C13H18N2O5S 314.093642 NA MeJP NA NA +MJ031042 Clibucaine C15H20Cl2N2O 314.095268 NA MeJP NA NA +MJ031043 5-[4-(2-Furanyl)-3-buten-1-ynyl]-2-thiophenemethanol, O-(3-Methylbutanoyl) C18H18O3S 314.097665 NA MeJP NA NA +MJ031044 1,4-Benzenediol; 1-Ac, 4-O-?-D-galactopyranoside C14H18O8 314.100167 NA MeJP NA NA +MJ031045 2',4'-Dihydroxyacetophenone; 2'-O-?-D-Glucopyranoside C14H18O8 314.100167 NA MeJP NA NA +MJ031046 2',5'-Dihydroxyacetophenone; 2-O-?-D-Glucopyranoside C14H18O8 314.100167 NA MeJP NA NA +MJ031047 2,4'-Dihydroxyacetophenone; 2-O-?-D-Glucopyranoside C14H18O8 314.100167 NA MeJP NA NA +MJ031048 2-Hydroxybenzoic acid; O-?-D-Glucopyranoside, Me ester C14H18O8 314.100167 NA MeJP NA NA +MJ031049 3',4'-Dihydroxyacetophenone; 3'-O-?-D-Glucopyranoside C14H18O8 314.100167 NA MeJP NA NA +MJ031050 3',4'-Dihydroxyacetophenone; 4'-O-?-D-Glucopyranoside C14H18O8 314.100167 NA MeJP NA NA +MJ031051 3,4-Dihydroxybenzaldehyde; 3-Me ether, 4-O-?-D-glucopyranoside C14H18O8 314.100167 NA MeJP NA NA +MJ031052 Aquilegiolide; 6-Epimer, O-?-D-glucopyranoside C14H18O8 314.100167 NA MeJP NA NA +MJ031053 Aquilegiolide; 7a-Epimer, O-?-D-glucopyranoside C14H18O8 314.100167 NA MeJP NA NA +MJ031054 Arbutin; 2-Ac C14H18O8 314.100167 NA MeJP NA NA +MJ031055 Arbutin; 6-Ac C14H18O8 314.100167 NA MeJP NA NA +MJ031056 Mandelic acid, O-?-D-Glucopyranoside C14H18O8 314.100167 NA MeJP NA NA +HMDB02357 Lecithin C10H21NO8P 314.10049 http://www.hmdb.ca/metabolites/HMDB02357 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02357 Lecithin C10H21NO8P 314.10049 http://www.hmdb.ca/metabolites/HMDB02357 HMDB NA NA +HMDB02357 Lecithin C10H21NO8P 314.10049 http://www.hmdb.ca/metabolites/HMDB02357 PFEM_hmdb_metabocards_blood NA blood +HMDB02357 Lecithin C10H21NO8P 314.10049 HMDB02357 PFEM_hmdb_metabocards_official NA NA +MJ031057 3,4-Di-1H-indol-3-yl-2(5H)-furanone C20H14N2O2 314.105527 NA MeJP NA NA +MJ031058 Naucleficine C20H14N2O2 314.105527 NA MeJP NA NA +MJ031059 Fenleuton C17H15FN2O3 314.10667 NA MeJP NA NA +MJ031060 Justiciamide C13H18N2O7 314.1114 NA MeJP NA NA +C00921 Dihydropteroate C14H14N6O3 314.1127 NA KEGG NA NA +HMDB01412 7,8-Dihydropteroic acid C14H14N6O3 314.11273 http://www.hmdb.ca/metabolites/HMDB01412 HMDB NA NA +HMDB01412 7,8-Dihydropteroic acid C14H14N6O3 314.11273 HMDB01412 PFEM_hmdb_metabocards_official NA NA +HMDB01412 7,8-Dihydropteroic acid C14H14N6O3 314.112732 NA HMDB2010 NA NA +MJ031061 Dihydropteroate C14H14N6O3 314.112738 NA MeJP NA NA +MetaCyc02791 7,8-dihydropteroate [dihydropterate;H2Pte;dihydropteroate;] C14H14N6O3 314.112738 NA metacyc NA NA +FL1C9GNS0001 Crotaoprostrin;2'-Hydroxy-3,4,5-methoxychalcone C18H18O5 314.11542 142955-68-8 knapsack NA NA +FL1CA8NS0002 2'-Hydroxy-2,4',6'-trimethoxychalcone C18H18O5 314.11542 118267-80-4 knapsack NA NA +FL1CDBNS0001 Flavokawin A C18H18O5 314.11542 3420-72-2 knapsack NA NA +FL1CDBNS0002 4'-Hydroxy-2',4,6'-trimethoxychalcone C18H18O5 314.11542 320378-13-0 knapsack NA NA +FL1CE9NS0004 Helilandin B C18H18O5 314.11542 70185-52-3 knapsack NA NA +FL1CE9NS0005 2'-Hydroxy-3',4',6'-trimethoxychalcone C18H18O5 314.11542 6971-20-6 knapsack NA NA +FL1CQUNM0004 Syzygiol C18H18O5 314.11542 133056-30-1 knapsack NA NA +FL1CRTNS0003 Tepanone C18H18O5 314.11542 145039-50-6 knapsack NA NA +FL1D1CNS0004 Ponganone VII;2',4'-Dimethoxy-3,4-methylenedioxydihydrochalcone C18H18O5 314.11542 142608-93-3 knapsack NA NA +FL1DE9NS0002 2',6'-Dimethoxy-3',4'-methylenedioxydihydrochalcone C18H18O5 314.11542 70185-55-6 knapsack NA NA +FL2F9CNS0001 6,3',4'-Trimethoxyflavanone C18H18O5 314.11542 77822-21-0 knapsack NA NA +FL2FA9NM0013 Leridol C18H18O5 314.11542 143084-66-6 knapsack NA NA +FL2FA9NM0016 Isomatteucinol;5,7-Dihydroxy-3'-methoxy-6,8-dimethylflavanone C18H18O5 314.11542 160098-91-9 knapsack NA NA +FL2FABNM0001 Matteucinol C18H18O5 314.11542 489-38-3 knapsack NA NA +FL2FCANM0001 Angophorol C18H18O5 314.11542 133442-54-3 knapsack NA NA +FL2FDBNS0001 Naringenin trimethyl ether C18H18O5 314.11542 38302-15-7 knapsack NA NA +FL2FF9NS0006 5,7,8-Trimethoxyflavanone C18H18O5 314.11542 69616-73-5 knapsack NA NA +FL6F1LNM0001 7,2'-Dihydroxy-6,8-dimethyl-4',5'-methylenedioxyflavan C18H18O5 314.11542 75679-59-3 knapsack NA NA +FL6F1LNM0002 7,2'-Dihydroxy-5,8-dimethyl-4',5'-methylenedioxyflavan C18H18O5 314.11542 75679-60-6 knapsack NA NA +FLID2ANS0003 2-Methoxyhomopterocarpin C18H18O5 314.11542 56782-49-1 knapsack NA NA +FLID3ANS0005 4-Methoxyhomopterocarpin C18H18O5 314.11542 22973-36-0 knapsack NA NA +FLIDHYNS0001 6-Methoxyhomopterocarpin;(6S,6aS,11aR)-3,6,9-Trimethoxypterocarpan C18H18O5 314.11542 90686-11-6 knapsack NA NA +MJ031062 1,2,5,6,7-Phenanthrenepentol; 1,5,6,7-Tetra-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031063 1,5-Dihydroxy-6-prenylxanthone; 2',3'-Dihydro, 4'-hydroxy C18H18O5 314.115423 NA MeJP NA NA +MJ031064 2',3',4',6'-Tetrahydroxychalcone; 2',3',4'-Tri-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031065 2',3',4',6'-Tetrahydroxychalcone; 3',4',6'-Tri-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031066 2',3,4,4'-Tetrahydroxydihydrochalcone; 2',4'-Di-Me ether, 3,4-methylene ether C18H18O5 314.115423 NA MeJP NA NA +MJ031067 2',4',5',7-Tetrahydroxy-5,8-dimethylflavan; 4',5'-Methylene ether C18H18O5 314.115423 NA MeJP NA NA +MJ031068 2',4',5',7-Tetrahydroxy-6,8-dimethylflavan; 4',5'-Methylene ether C18H18O5 314.115423 NA MeJP NA NA +MJ031069 2',4,4',6'-Tetrahydroxychalcone; 2',4,4'-Tri-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031070 2',4,4',6'-Tetrahydroxychalcone; 2',4,6'-Tri-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031071 2,2',4,4'-Tetrahydroxychalcone; 2,4,4'-Tri-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031072 2,3,4,6,7-Phenanthrenepentol; 2,3,4,6-Tetra-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031073 2,3,4,6,7-Phenanthrenepentol; 2,4,6,7-Tetra-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031074 2,3,4,6-Tetrahydroxychalcone, 3,4,6-Tri-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031075 2,3,9-Trihydroxypterocarpan; Tri-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031076 2-(2,4,6-Trihydroxyphenyl)-5-benzofuranpropanol; 2'-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031077 2-(2,4-Dihydroxyphenyl)-5-benzofuranpropanol; 3'-Hydroxy, 2'-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031078 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-methyl-5-benzofurancarboxaldehyde, 3',5-Di-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031079 2-(4-Hydroxyphenyl)ethanol; 1-O-4-Hydroxy-3-methoxycinnamoyl(E-) C18H18O5 314.115423 NA MeJP NA NA +MJ031080 3',4',6-Trihydroxyflavanone, Tri-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031081 3',5,7-Trihydroxy-6,8-dimethylflavanone, 3'-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031082 3,4,9-Trimethoxypterocarpan C18H18O5 314.115423 NA MeJP NA NA +MJ031083 3,6,9-Trihydroxypterocarpan, Tri-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031084 3,7-Dihydroxy-1,9-dimethyl-2-dibenzofurancarboxylic acid; Di-Me ether, Me ester C18H18O5 314.115423 NA MeJP NA NA +MJ031085 3,9,10-Trihydroxypterocarpan, Tri-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031086 4',5,7-Trihydroxy-6,8-dimethylflavanone, 4'-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031087 4',5,7-Trihydroxy-6,8-dimethylflavanone, 7-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031088 4',5,7-Trihydroxyflavanone, Tri-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031089 4,5,7-Trihydroxy-8-formyl-6-methylflavan, 5-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031090 4-Methoxy-6-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one; 9-Methoxy C18H18O5 314.115423 NA MeJP NA NA +MJ031091 5,6,7-Trihydroxyflavanone, Tri-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031092 5,6-Dimethoxy-3-(4-methoxybenzyl)phthalide C18H18O5 314.115423 NA MeJP NA NA +MJ031093 5,7,8-Trihydroxyflavanone, Tri-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031094 5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 4',7-Di-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031095 5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 5,7-Di-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031096 5,7-Dihydroxy-3-(4-hydroxybenzyl)-6,8-dimethyl-4-chromanone C18H18O5 314.115423 NA MeJP NA NA +MJ031097 5,7-Dihydroxy-8-(hydroxymethyl)-6-methylflavanone, 7-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031098 ?,2,4,6-Tetrahydroxy-3-methylchalcone; 4',6'-Di-Me ether C18H18O5 314.115423 NA MeJP NA NA +MJ031099 Agrimonolide C18H18O5 314.115423 NA MeJP NA NA +MJ031100 Chalepensin; 5,8-Dimethoxy C18H18O5 314.115423 NA MeJP NA NA +MJ031101 Echinofuran C18H18O5 314.115423 NA MeJP NA NA +MJ031102 Eugarzasadone C18H18O5 314.115423 NA MeJP NA NA +MJ031103 Fercoprolone C18H18O5 314.115423 NA MeJP NA NA +MJ031104 Flavidin; 5-Ethoxy, 6-methoxy C18H18O5 314.115423 NA MeJP NA NA +MJ031105 Garcipyran C18H18O5 314.115423 NA MeJP NA NA +MJ031106 Homocyclolongipesin; O-Ac C18H18O5 314.115423 NA MeJP NA NA +MJ031107 Mollugin; 3-Methoxy C18H18O5 314.115423 NA MeJP NA NA +MJ031108 Neocomantherin C18H18O5 314.115423 NA MeJP NA NA +MJ031109 Ophiopogonone B; 2,3-Dihydro C18H18O5 314.115423 NA MeJP NA NA +MJ031110 Purdilactone A C18H18O5 314.115423 NA MeJP NA NA +MJ031111 Randainal; 8',9'-Dihydro, 8'9'-dihydroxy C18H18O5 314.115423 NA MeJP NA NA +MJ031112 Syzygiol C18H18O5 314.115423 NA MeJP NA NA +MJ031113 1-[(3-Fluoro-4-pyridinyl)amino]-3-methyl-1H-indol-5-ol; Methylcarbamate C16H15FN4O2 314.117903 NA MeJP NA NA +MJ031114 2-(1-Aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-4-thiazolecarboxamide C16H18N4OS 314.120131 NA MeJP NA NA +MJ031115 3-O-?-D-Glucopyranosylribitol C11H22O10 314.121296 NA MeJP NA NA +MJ031116 4-O-?-D-Glucopyranosyl-D-ribitol C11H22O10 314.121296 NA MeJP NA NA +MJ031117 4-O-?-D-Glucopyranosyl-D-ribitol C11H22O10 314.121296 NA MeJP NA NA +MJ031118 Umbilicin C11H22O10 314.121296 NA MeJP NA NA +MJ031119 4-Ethyl-6,7-dimethoxy-3-methoxycarbonyl-9H-pyrido[3,4-b]indole C17H18N2O4 314.126657 NA MeJP NA NA +MJ031120 7-Amino-1-hydroxymethyl-6-methyl-5,8-isoquinolinedione; N7-Me, O-angeloyl C17H18N2O4 314.126657 NA MeJP NA NA +MJ031121 Lorcinadol C17H19ClN4 314.129824 NA MeJP NA NA +MJ031122 Penicillin F; Dihydro C14H22N2O4S 314.130027 NA MeJP NA NA +MJ031123 1,2,3,4,10-Pentahydroxy-11(13)-guaien-12,6-olide C15H22O7 314.136553 NA MeJP NA NA +MJ031124 11-Hydroperoxy-1,3,4-trihydroxy-7(14),9-bisaboladiene-2,8-dione C15H22O7 314.136553 NA MeJP NA NA +MJ031125 2-(4-Hydroxyphenyl)ethanol; 4'-Me ether, 1-O-?-D-glucopyranoside C15H22O7 314.136553 NA MeJP NA NA +MJ031126 6,8,11-Trihydroxy-1,3-elemadiene-12,15-dioic acid C15H22O7 314.136553 NA MeJP NA NA +MJ031127 Cyclomerrillianolide C15H22O7 314.136553 NA MeJP NA NA +MJ031128 Cycloparvifloralone; 8-Deoxy, 4-oxo, 9-hydroxy C15H22O7 314.136553 NA MeJP NA NA +MJ031129 Gramilaurone C15H22O7 314.136553 NA MeJP NA NA +MJ031130 Merrillianolide C15H22O7 314.136553 NA MeJP NA NA +MJ031131 Neodunnianin C15H22O7 314.136553 NA MeJP NA NA +MJ031132 Ranitidine C13H22N4O3S 314.141261 NA MeJP NA NA +HMDB01930 Ranitidine C13H22N4O3S 314.141266 NA HMDB2010 NA NA +HMDB01930 Ranitidine C13H22N4O3S 314.14127 http://www.hmdb.ca/metabolites/HMDB01930 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01930 Ranitidine C13H22N4O3S 314.14127 http://www.hmdb.ca/metabolites/HMDB01930 HMDB NA NA +HMDB01930 Ranitidine C13H22N4O3S 314.14127 http://www.hmdb.ca/metabolites/HMDB01930 PFEM_hmdb_metabocards_blood NA blood +HMDB01930 Ranitidine C13H22N4O3S 314.14127 HMDB01930 PFEM_hmdb_metabocards_official NA NA +MJ031133 Methopromazine C18H22N2OS 314.145284 NA MeJP NA NA +MJ031134 Pimefylline C15H18N6O2 314.149123 NA MeJP NA NA +2722 erythromycin inhibitor MSRHV 314.1497 MH2+ Inhouse_peptide NA peptide +C09267 Heliettin C19H22O4 314.1518 NA KEGG NA NA +C11866 2,3-Dehydro-gibberellin A9 C19H22O4 314.1518 NA KEGG NA NA +FL1DQUNM0002 Grandiflorone C19H22O4 314.1518 50861-53-5 knapsack NA NA +MJ031135 1-(4-Hydroxyphenyl)-2-[4-(1-propenyl)phenoxy]-1-propanol; 2'-Methoxy C19H22O4 314.151809 NA MeJP NA NA +MJ031136 15,16-Epoxy-18-nor-4-oxo-1,13(16),14-clerodatrien-17,12-olide C19H22O4 314.151809 NA MeJP NA NA +MJ031137 15,16-Epoxy-19-nor-2-oxo-13(16),14-clerodadien-20,12-olide, 3,4-Didehydro C19H22O4 314.151809 NA MeJP NA NA +MJ031138 15,16-Epoxy-4-hydroxy-18-nor-2,13(16),14-clerodatrien-17,12-olide, 4-Ketone C19H22O4 314.151809 NA MeJP NA NA +MJ031139 2,3-Dihydro-2-(4-hydroxyphenyl)-5-(3-hydroxypropyl)-3-methylbenzofuran, 3'-Methoxy C19H22O4 314.151809 NA MeJP NA NA +MJ031140 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene, 8-O-(3-Methylbutanoyl) C19H22O4 314.151809 NA MeJP NA NA +MJ031141 2-Methyl-1,4-naphthalenediol; Dibutanoyl C19H22O4 314.151809 NA MeJP NA NA +MJ031142 20-Nor-1(10),16-gibberelladien-19,2-olid-7-oic acid C19H22O4 314.151809 NA MeJP NA NA +MJ031143 3',4,4',5-Tetrahydroxy-2,7'-cyclolignan, 3'-Me ether C19H22O4 314.151809 NA MeJP NA NA +MJ031144 3',6'-Epoxycycloauraptene C19H22O4 314.151809 NA MeJP NA NA +MJ031145 3,4,4'-Trihydroxy-7,7'-epoxylignan, 3-Me ether C19H22O4 314.151809 NA MeJP NA NA +MJ031146 3-(1,1-Dimethyl-2-propenyl)columbianetin C19H22O4 314.151809 NA MeJP NA NA +MJ031147 3-(3,3-Dimethylallyl)marmesin C19H22O4 314.151809 NA MeJP NA NA +MJ031148 4,6,12-Tetradecatriene-8,10-diyne-1,3,14-triol, 3-O-(3-Methyl-2-butenoyl) C19H22O4 314.151809 NA MeJP NA NA +MJ031149 5,7,13-Pentadecatriene-9,11-diyne-1,3-diol; Di-Ac C19H22O4 314.151809 NA MeJP NA NA +MJ031150 5,7-Dihydroxy-2H-1-benzopyran-2-one; 5-O-(3,7-Dimethyl-2,6-octadienyl) C19H22O4 314.151809 NA MeJP NA NA +MJ031151 5,7-Dihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C19H22O4 314.151809 NA MeJP NA NA +MJ031152 5,7-Dihydroxy-8-lavandulyl-4H-1-benzopyran-4-one C19H22O4 314.151809 NA MeJP NA NA +MJ031153 5-Hydroxy-1,7-bis(4-hydroxyphenyl)-3-heptanone C19H22O4 314.151809 NA MeJP NA NA +MJ031154 6'-Hydroxy-?-cycloauraptene C19H22O4 314.151809 NA MeJP NA NA +MJ031155 6-Hydroxyfuranoeremophil-1(10)-en-9-one, O-(2-Methyl-2-propenoyl) C19H22O4 314.151809 NA MeJP NA NA +MJ031156 7-Hydroxy-6-(7-hydroxy-3,7-dimethyl-2,5-octadienyl)-2H-1-benzopyran-2-one C19H22O4 314.151809 NA MeJP NA NA +MJ031157 7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl) C19H22O4 314.151809 NA MeJP NA NA +MJ031158 7-Hydroxy-8-(3-oxo-2-methylbutyl)-2H-1-benzopyran-2-one; O-(3-Methyl-2-butenyl) C19H22O4 314.151809 NA MeJP NA NA +MJ031159 8-(3,7-Dimethyl-2,6-octadienyl)-5,7-dihydroxy-2H-1-benzopyran-2-one C19H22O4 314.151809 NA MeJP NA NA +MJ031160 8-Hydroxy-4(15),11(13),10(14)-guaiatrien-12,6-olide, 8-(Methylpropenoyl) C19H22O4 314.151809 NA MeJP NA NA +MJ031161 8-Prenylnodakenetin C19H22O4 314.151809 NA MeJP NA NA +MJ031162 Abietinarin A C19H22O4 314.151809 NA MeJP NA NA +MJ031163 Acerogenin A, 5'S-Hydroxy C19H22O4 314.151809 NA MeJP NA NA +MJ031164 Acerogenin F C19H22O4 314.151809 NA MeJP NA NA +MJ031165 Acerogenin I C19H22O4 314.151809 NA MeJP NA NA +MJ031166 Alnusdiol C19H22O4 314.151809 NA MeJP NA NA +MJ031167 Anisocoumarin F C19H22O4 314.151809 NA MeJP NA NA +MJ031168 Arnottinin; 7-O-(3-Methyl-2-butenyl) C19H22O4 314.151809 NA MeJP NA NA +MJ031169 Arucadiol; 7-Hydroxy C19H22O4 314.151809 NA MeJP NA NA +MJ031170 Auraptene; 2',3'-Dihydro, 5'-oxo C19H22O4 314.151809 NA MeJP NA NA +MJ031171 Auraptene; 5'-Hydroxy C19H22O4 314.151809 NA MeJP NA NA +MJ031172 Auraptene; 6',7'-Dihydro, 5'-oxo C19H22O4 314.151809 NA MeJP NA NA +MJ031173 Auraptene; 6',7'-Dihydro, 6'-oxo C19H22O4 314.151809 NA MeJP NA NA +MJ031174 Auraptene; 6'R,7'-Epoxide C19H22O4 314.151809 NA MeJP NA NA +MJ031175 Auraptene; ?5'-Isomer, 7'-hydroxy C19H22O4 314.151809 NA MeJP NA NA +MJ031176 Auraptene; ?7'-Isomer, 6'R-hydroxy C19H22O4 314.151809 NA MeJP NA NA +MJ031177 Brombyin 1 C19H22O4 314.151809 NA MeJP NA NA +MJ031178 Brombyin 6 C19H22O4 314.151809 NA MeJP NA NA +MJ031179 Chalepin C19H22O4 314.151809 NA MeJP NA NA +MJ031180 Cryptofolione C19H22O4 314.151809 NA MeJP NA NA +MJ031181 Flourensianol; 3-Methyl-2-butenoyl C19H22O4 314.151809 NA MeJP NA NA +MJ031182 Flourensianol; Angeloyl C19H22O4 314.151809 NA MeJP NA NA +MJ031183 Flourensianol; Tigloyl C19H22O4 314.151809 NA MeJP NA NA +MJ031184 Franklinol, Ketone C19H22O4 314.151809 NA MeJP NA NA +MJ031185 Gibberellin A9; 9,11-Didehydro C19H22O4 314.151809 NA MeJP NA NA +MJ031186 Grandiflorone C19H22O4 314.151809 NA MeJP NA NA +MJ031187 Isomargolonone C19H22O4 314.151809 NA MeJP NA NA +MJ031188 Margolone; 3-Oxo C19H22O4 314.151809 NA MeJP NA NA +MJ031189 Milanjilactone B C19H22O4 314.151809 NA MeJP NA NA +MJ031190 Neocryptotanshinone C19H22O4 314.151809 NA MeJP NA NA +MJ031191 Octandrenolone; 5-Me ether C19H22O4 314.151809 NA MeJP NA NA +MJ031192 Odoratin C19H22O4 314.151809 NA MeJP NA NA +MJ031193 Osthenol; O-(2,3-Epoxy-3-methylbutyl) C19H22O4 314.151809 NA MeJP NA NA +MJ031194 Ostruthin; ?7'-Isomer, 6'-hydroxy C19H22O4 314.151809 NA MeJP NA NA +MJ031195 Pallavicinia 3 C19H22O4 314.151809 NA MeJP NA NA +MJ031196 Pallavicinia 4; 18-Nor C19H22O4 314.151809 NA MeJP NA NA +MJ031197 Pallavicinia 4; 19-Nor C19H22O4 314.151809 NA MeJP NA NA +MJ031198 Perrottetin B C19H22O4 314.151809 NA MeJP NA NA +MJ031199 Praealtin A; ?3',4'-Isomer, 6'-de-Ac C19H22O4 314.151809 NA MeJP NA NA +MJ031200 Sophorachromone A C19H22O4 314.151809 NA MeJP NA NA +MJ031201 Tanshinone V C19H22O4 314.151809 NA MeJP NA NA +MJ031202 Ulismoncadin A C19H22O4 314.151809 NA MeJP NA NA +MetaCyc02792 GA120 [gibberellin A120;gibberellin A120;GA120;] C19H22O4 314.151809 NA metacyc NA NA +C14252 1,3-Dibenzyltetramethyldisiloxane C18H26OSi2 314.1522 NA KEGG NA NA +MJ031203 Clomipramine C19H23ClN2 314.154976 NA MeJP NA NA +MJ031204 Homochlorcyclizine C19H23ClN2 314.154976 NA MeJP NA NA +C06918 Clomipramine C19H23ClN2 314.155 NA KEGG NA NA +C06919 Transferred to D00280 C19H23ClN2 314.155 NA KEGG NA NA +C06920 Transferred to D00281 C19H23ClN2 314.155 NA KEGG NA NA +PJ000261 APQ C13H22N4O5 314.159 NA PeJP NA NA +C06490 WIN VI C18H22N2O3 314.163 NA KEGG NA NA +MJ031205 5-[5-[4-(4,5-Dihydro-2-oxazolyl)phenoxy]pentyl]-3-methylisoxazole C18H22N2O3 314.163042 NA MeJP NA NA +MJ031206 1,3,5-Triphenyl-1-pentanone C23H22O 314.167065 NA MeJP NA NA +MJ031207 2-Pinen-4-ol, O-?-D-Galactopyranoside C16H26O6 314.172938 NA MeJP NA NA +MJ031208 2-Pinen-4-ol, O-?-D-Glucopyranoside C16H26O6 314.172938 NA MeJP NA NA +MJ031209 2-Pinen-6-ol, O-?-D-Glucopyranoside C16H26O6 314.172938 NA MeJP NA NA +MJ031210 3,3,6-Trimethyl-5-heptene-1,2,4-triol; Tri-Ac C16H26O6 314.172938 NA MeJP NA NA +MJ031211 p-Mentha-1,8-dien-6-ol, O-?-D-Glucopyranoside C16H26O6 314.172938 NA MeJP NA NA +MJ031212 p-Mentha-1,8-dien-7-ol, O-?-D-Glucopyranoside C16H26O6 314.172938 NA MeJP NA NA +MJ031213 Moxiraprine C17H22N4O2 314.174275 NA MeJP NA NA +MJ031214 Resiquimod C17H22N4O2 314.174275 NA MeJP NA NA +8242 Antioxidative peptide VIPMGL 314.1747 MH2+ Inhouse_peptide NA peptide +C16991 Magnocurarine C19H24NO3 314.1756 NA KEGG NA NA +C17567 Lotusine C19H24NO3 314.1756 NA KEGG NA NA +MJ031215 Oblongine C19H24NO3 314.175618 NA MeJP NA NA +MJ031216 Pergolide C19H26N2S 314.181669 NA MeJP NA NA +C07425 Pergolide C19H26N2S 314.1817 NA KEGG NA NA +C07426 Transferred to D00502 C19H26N2S 314.1817 NA KEGG NA NA +EUR377 Aldosterone F4 F4 314.187475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR377 Aldosterone F4 NA 314.187475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR377 Aldosterone F4 F4 314.187475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR377 Aldosterone F4 NA 314.187475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR377 Aldosterone F4 F4 314.187475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR377 Aldosterone F4 NA 314.187475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR377 Aldosterone F4 F4 314.187475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR377 Aldostérone F4 F4 314.187475 standards wishlist analysés sur QTOF HMDB NA NA +EUR377 Aldosterone F4 F4 314.187475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR377 Aldosterone F4 NA 314.187475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR377 Aldosterone F4 F4 314.187475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR377 Aldosterone F4 F4 314.187475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ031217 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanol C20H26O3 314.188194 NA MeJP NA NA +MJ031218 1-Hydroxy-8,10,14,16-octadecatetraen-12-yn-3-one, Ac C20H26O3 314.188194 NA MeJP NA NA +MJ031219 11,12-Dihydroxy-5,8,11,13-abietatetraen-7-one C20H26O3 314.188194 NA MeJP NA NA +MJ031220 11,15-Dihydroxy-5,7,9(11),13-abietatetraen-12-one C20H26O3 314.188194 NA MeJP NA NA +MJ031221 11-Hydroxy-14-oxo-1,3,12-cyathatrien-15-al; 11?-form C20H26O3 314.188194 NA MeJP NA NA +MJ031222 11-Hydroxy-4,5-secoeudesmane-4,5-dione C20H26O3 314.188194 NA MeJP NA NA +MJ031223 12,15-Epoxy-3,12,14-clerodatrien-17,11-olide C20H26O3 314.188194 NA MeJP NA NA +MJ031224 12-Hydroxy-8,11,13-abietatriene-6,7-dione C20H26O3 314.188194 NA MeJP NA NA +MJ031225 12-Hydroxy-8,12-abietadiene-11,14-dione; 6,7-Didehydro C20H26O3 314.188194 NA MeJP NA NA +MJ031226 12-Hydroxy-9(11),16-kauradien-19-oic acid, 12-Ketone C20H26O3 314.188194 NA MeJP NA NA +MJ031227 12-Oxo-9(11),13-abietadien-20,8-olide C20H26O3 314.188194 NA MeJP NA NA +MJ031228 13-Hydroxy-7,9(11),13-totaratriene-6,12-dione C20H26O3 314.188194 NA MeJP NA NA +MJ031229 13-Hydroxy-8,11,13-totaratriene-1,3-dione C20H26O3 314.188194 NA MeJP NA NA +MJ031230 15,16-Epoxy-1,3,13(16),14-clerodatetraen-18-oic acid C20H26O3 314.188194 NA MeJP NA NA +MJ031231 15,16-Epoxy-17-hydroxy-7,11,13(16),14-labdatetraen-6-one C20H26O3 314.188194 NA MeJP NA NA +MJ031232 15,16-Epoxy-20-hydroxy-8(17),13(16),14-labdatrien-19-oic acid; 20?19 Lactone C20H26O3 314.188194 NA MeJP NA NA +MJ031233 15,16-Epoxy-3,11,13(16),14-clerodatetraen-18-oic acid C20H26O3 314.188194 NA MeJP NA NA +MJ031234 15,16-Epoxy-3,13(16),14-clerodatrien-18,19-olide; ent-form C20H26O3 314.188194 NA MeJP NA NA +MJ031235 15,16-Epoxy-3,13(16),14-clerodatriene-2,7-dione; ent-form C20H26O3 314.188194 NA MeJP NA NA +MJ031236 15,16-Epoxy-6,7-seco-5,8,13(16),14-labdatetraen-7,6-olide C20H26O3 314.188194 NA MeJP NA NA +MJ031237 15,16-Epoxy-6,8,13(16),14-labdatetraen-17-oic acid C20H26O3 314.188194 NA MeJP NA NA +MJ031238 15,16-Epoxy-6-hydroxy-3,13(16),14-clerodatrien-18-oic acid, 18?6 Lactone C20H26O3 314.188194 NA MeJP NA NA +MJ031239 15,16-Epoxy-7,11,13(16),14-labdatetraen-6-one, 7-Hydroxy C20H26O3 314.188194 NA MeJP NA NA +MJ031240 15,16-Epoxy-8(17),13(16),14-labdatriene-2,12-dione; ent-form C20H26O3 314.188194 NA MeJP NA NA +MJ031241 15-Beyerene-2,3,12-triol, Triketone C20H26O3 314.188194 NA MeJP NA NA +MJ031242 15-Hydroxy-1(19),6,10,12,14(16)-xenicapentaen-18,17-olide C20H26O3 314.188194 NA MeJP NA NA +MJ031243 15-Hydroxy-9-oxo-5,10,13,17-prostatetraenoic acid, 1,15-Lactone C20H26O3 314.188194 NA MeJP NA NA +MJ031244 18-Hydroxy-1,9-octadecadiene-4,6-diyn-3-one, Ac C20H26O3 314.188194 NA MeJP NA NA +MJ031245 19(4?3)-Abeo-11,12-dihydroxy-4(18),8,11,13-abietatetraen-7-one C20H26O3 314.188194 NA MeJP NA NA +MJ031246 19(4?3)-Abeo-14-hydroxy-3,8,11,13-abietatetraen-18-oic acid C20H26O3 314.188194 NA MeJP NA NA +MJ031247 19-Hydroxy-8,11,13-abietatriene-3,7-dione C20H26O3 314.188194 NA MeJP NA NA +MJ031248 19-Hydroxy-8,12-abietadiene-11,14-dione; 19-Aldehyde C20H26O3 314.188194 NA MeJP NA NA +MJ031249 2,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 2?-form C20H26O3 314.188194 NA MeJP NA NA +MJ031250 2-Hydroxy-1,16-atisadiene-3,14-dione; ent-form C20H26O3 314.188194 NA MeJP NA NA +MJ031251 20(10?5)-Abeo-1(10),6,8,11,13-abietapentaene-11,12,16-triol C20H26O3 314.188194 NA MeJP NA NA +MJ031252 20(10?9)-Abeo-15-oxo-16-kauren-19,10-olide C20H26O3 314.188194 NA MeJP NA NA +MJ031253 3,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one C20H26O3 314.188194 NA MeJP NA NA +MJ031254 3,12-Dihydroxy-8,11,13-abietatrien-7-one, 3-Ketone C20H26O3 314.188194 NA MeJP NA NA +MJ031255 3,3',4,4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl; 3-Deoxy C20H26O3 314.188194 NA MeJP NA NA +MJ031256 3-(4-Hydroxyphenyl)-2-propenoic acid, O-(3,7-Dimethyl-2,6-octadienyl), Me ester C20H26O3 314.188194 NA MeJP NA NA +MJ031257 3-Hydroxy-8,11,13-abietatrien-18-oic acid, 15,16-Didehydro C20H26O3 314.188194 NA MeJP NA NA +MJ031258 4-(3-Hydroxy-3-methylbutyl)-5-(2-phenylethyl)-1,3-benzenediol; 1-Me ether C20H26O3 314.188194 NA MeJP NA NA +MJ031259 5,18:13,18-Diepoxy-14-serrulaten-8-ol C20H26O3 314.188194 NA MeJP NA NA +MJ031260 5,6-Secofuranoeremophila-1(10),4-dien-6-ol; Angeloyl C20H26O3 314.188194 NA MeJP NA NA +MJ031261 5,6-Secofuranoeremophila-1(10),4-dien-6-ol; O-(3-Methyl-2-butenoyl) C20H26O3 314.188194 NA MeJP NA NA +MJ031262 5-(2,5,8,11-Tetradecatetraenyl)-2-furanacetic acid C20H26O3 314.188194 NA MeJP NA NA +MJ031263 6,11-Dihydroxy-7,9(11),13-abietatrien-12-one, 6-Ketone C20H26O3 314.188194 NA MeJP NA NA +MJ031264 6,11-Dihydroxy-7,9(11),13-abietatrien-12-one; 6?-form, 6-Ketone C20H26O3 314.188194 NA MeJP NA NA +MJ031265 6,12-Dihydroxy-5,8,11,13-abietetraen-7-one C20H26O3 314.188194 NA MeJP NA NA +MJ031266 6-Hydroxy-1(10),7,11-eremophilatrien-9-one, Angeloyl C20H26O3 314.188194 NA MeJP NA NA +MJ031267 6-Hydroxy-6,8,12-abietatriene-11,14-dione C20H26O3 314.188194 NA MeJP NA NA +MJ031268 6-Oxo-7,11,13-labdatrien-16,15-olide C20H26O3 314.188194 NA MeJP NA NA +MJ031269 6-Oxo-7,12,14-labdatrien-17,11-olide C20H26O3 314.188194 NA MeJP NA NA +MJ031270 7,10-Epoxy-5,8,11,13-icetexatetraene-11,12-diol C20H26O3 314.188194 NA MeJP NA NA +MJ031271 7,16:7,20-Diepoxy-8,11,13-cleistanthatrien-3-ol C20H26O3 314.188194 NA MeJP NA NA +MJ031272 7-Oxo-8,11,13-cleistanthatrien-17-oic acid C20H26O3 314.188194 NA MeJP NA NA +MJ031273 7-Oxo-8,11,13-cleistanthatrien-19-oic acid C20H26O3 314.188194 NA MeJP NA NA +MJ031274 7-Oxo-8,13(15)-abietadien-16,12-olide C20H26O3 314.188194 NA MeJP NA NA +MJ031275 8,11,13-Abietatriene-1,18-diol; 1?-form, 18-Carboxylic acid, 1-ketone C20H26O3 314.188194 NA MeJP NA NA +MJ031276 8,11,13-Abietatriene-3,12-diol; 3?-form, 3-Ketone, 1?,2?-epoxy C20H26O3 314.188194 NA MeJP NA NA +MJ031277 8,11,13-Abietatriene-7,18-diol; 7?-form, 18-Aldehyde, 7-ketone, 12-hydroxy C20H26O3 314.188194 NA MeJP NA NA +MJ031278 8,11,13-Abietatriene-7,19-diol; 7?-form, 19-Carboxylic acid, 7-ketone C20H26O3 314.188194 NA MeJP NA NA +MJ031279 8,12-Abietadiene-3,11,14-trione C20H26O3 314.188194 NA MeJP NA NA +MJ031280 8,14-Epoxy-13(15)-abieten-16,12-olide C20H26O3 314.188194 NA MeJP NA NA +MJ031281 9-Hydroxy-1,8(14),15-isopimaratriene-3,11-dione; 9?-form C20H26O3 314.188194 NA MeJP NA NA +MJ031282 9-Hydroxy-8,10,12,14-amphilectratetraen-20-oic acid C20H26O3 314.188194 NA MeJP NA NA +MJ031283 Bertyadionol C20H26O3 314.188194 NA MeJP NA NA +MJ031284 Cafestol; 1,2-Didehydro C20H26O3 314.188194 NA MeJP NA NA +MJ031285 Colombiasin A C20H26O3 314.188194 NA MeJP NA NA +MJ031286 Conyzaleucolide A C20H26O3 314.188194 NA MeJP NA NA +MJ031287 Dichroanal A; 6-Deoxy, 5,6-didehydro C20H26O3 314.188194 NA MeJP NA NA +MJ031288 Elisapterosin B C20H26O3 314.188194 NA MeJP NA NA +MJ031289 Fukujusonorone C20H26O3 314.188194 NA MeJP NA NA +MJ031290 Furanoeremophil-1(10)-en-3-ol, 3-(3-Methyl-2-butenoyl) C20H26O3 314.188194 NA MeJP NA NA +MJ031291 Furanoeremophil-1(10)-en-3-ol, 3-Angeloyl C20H26O3 314.188194 NA MeJP NA NA +MJ031292 Furanoeremophil-1(10)-en-6-ol, 6-(3-Methyl-2-butenoyl) C20H26O3 314.188194 NA MeJP NA NA +MJ031293 Furanoeremophil-1(10)-en-6-ol, 6-Angeloyl C20H26O3 314.188194 NA MeJP NA NA +MJ031294 Furanoeremophil-1(10)-en-6-ol, 6-Tigloyl C20H26O3 314.188194 NA MeJP NA NA +MJ031295 Gestadienol C20H26O3 314.188194 NA MeJP NA NA +MJ031296 Halimedalactone C20H26O3 314.188194 NA MeJP NA NA +MJ031297 Halimedatrial C20H26O3 314.188194 NA MeJP NA NA +MJ031298 Helioscopinolide A; 3-Ketone C20H26O3 314.188194 NA MeJP NA NA +MJ031299 Jatrophatrione C20H26O3 314.188194 NA MeJP NA NA +MJ031300 Jolkinolide C C20H26O3 314.188194 NA MeJP NA NA +MJ031301 Jolkinolide E; 2-Oxo C20H26O3 314.188194 NA MeJP NA NA +MJ031302 Printzianic acid C20H26O3 314.188194 NA MeJP NA NA +MJ031303 Riolozatrione C20H26O3 314.188194 NA MeJP NA NA +MJ031304 Sapriparaquinone C20H26O3 314.188194 NA MeJP NA NA +MJ031305 Strictic acid C20H26O3 314.188194 NA MeJP NA NA +MJ031306 Verecynarmin B; 11?-Hydroxy C20H26O3 314.188194 NA MeJP NA NA +MJ031307 Verecynarmin F; 11?-Hydroxy C20H26O3 314.188194 NA MeJP NA NA +MJ031308 Zoapatlin; 15-Oxo C20H26O3 314.188194 NA MeJP NA NA +MetaCyc02793 momilactone A [] C20H26O3 314.188195 NA metacyc NA NA +HMDB06285 4-oxo-Retinoic acid C20H26O3 314.1882 http://www.hmdb.ca/metabolites/HMDB06285 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06285 4-oxo-Retinoic acid C20H26O3 314.1882 http://www.hmdb.ca/metabolites/HMDB06285 HMDB NA NA +C09119 Jatrophatrione C20H26O3 314.1882 NA KEGG NA NA +C09194 Taxodione C20H26O3 314.1882 NA KEGG NA NA +C14670 17-Ethynyl-10-hydroxy-19-nortestosterone C20H26O3 314.1882 NA KEGG NA NA +C14930 3-Methoxy-androsta-3,5-diene-7,17-dione C20H26O3 314.1882 NA KEGG NA NA +C14999 10-Hydroxyestra-1,4-dien-3-one acetate C20H26O3 314.1882 NA KEGG NA NA +C15228 beta-Estradiol 17-acetate C20H26O3 314.1882 NA KEGG NA NA +C16678 all-trans-4-Oxoretinoic acid C20H26O3 314.1882 NA KEGG NA NA +C18015 Momilactone A C20H26O3 314.1882 NA KEGG NA NA +HMDB06285 4-oxo-Retinoic acid C20H26O3 314.1882 http://www.hmdb.ca/metabolites/HMDB06285 PFEM_hmdb_metabocards_blood NA blood +HMDB06285 4-oxo-Retinoic acid C20H26O3 314.1882 HMDB06285 PFEM_hmdb_metabocards_official NA NA +HMDB06285 4-oxo-Retinoic acid C20H26O3 314.188202 NA HMDB2010 NA NA +PJ000262 APK C14H26N4O4 314.1954 NA PeJP NA NA +MJ031309 10-Methoxydihydrocorynantheol; O-De-Me C19H26N2O2 314.199428 NA MeJP NA NA +MJ031310 14,15-Voaphyllinediol C19H26N2O2 314.199428 NA MeJP NA NA +MJ031311 Dihydrocorynantheol, 19(S)-Hydroxy C19H26N2O2 314.199428 NA MeJP NA NA +MJ031312 Dihydrocorynantheol, N-Oxide C19H26N2O2 314.199428 NA MeJP NA NA +MJ031313 Herquline B C19H26N2O2 314.199428 NA MeJP NA NA +MJ031314 Quinamine; 9,10-Dihydro C19H26N2O2 314.199428 NA MeJP NA NA +MJ031315 Rhazidigenine; Nb-Oxide C19H26N2O2 314.199428 NA MeJP NA NA +MJ031316 N,N'-Bis(4-guanidinobutyl)oxamide C12H26N8O2 314.217872 NA MeJP NA NA +HMDB01830 Progesterone C21H30O2 314.224579 NA HMDB2010 NA NA +HMDB13121 7-Dehydropregnenolone C21H30O2 314.224579 NA HMDB2010 NA NA +HMDB01830 Progesterone C21H30O2 314.22458 http://www.hmdb.ca/metabolites/HMDB01830 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01830 Progesterone C21H30O2 314.22458 http://www.hmdb.ca/metabolites/HMDB01830 HMDB NA NA +MJ031317 Progesterone C21H30O2 314.22458 NA MeJP NA NA +MJ031318 10-Acetyl-20-nor-8,11,13-abietatrien-12-ol C21H30O2 314.22458 NA MeJP NA NA +MJ031319 11-Hydroxypregna-4,20-dien-3-one C21H30O2 314.22458 NA MeJP NA NA +MJ031320 12-Hydroxy-8,11,13-abietatrien-7-one; Me ether C21H30O2 314.22458 NA MeJP NA NA +MJ031321 16-Hydroxypregna-4,17(20)-dien-3-one C21H30O2 314.22458 NA MeJP NA NA +MJ031322 20-Hydroxypregna-4,6-dien-3-one C21H30O2 314.22458 NA MeJP NA NA +MJ031323 3-Pentadecyl-1,2-benzenediol; 8',9',11',12',13',14'-Hexadehydro C21H30O2 314.22458 NA MeJP NA NA +MJ031324 3-Pentadecyl-1,2-benzenediol; 8',9',11',12',14',15'-Hexadehydro(Z,Z,Z-) C21H30O2 314.22458 NA MeJP NA NA +MJ031325 4-(1-Ethenyl-1,5,9-trimethyl-4,8-decadienyl)-1,2-benzenediol C21H30O2 314.22458 NA MeJP NA NA +MJ031326 4-(8,11,13-Pentadecatrienyl)-1,2-benzenediol C21H30O2 314.22458 NA MeJP NA NA +MJ031327 4-(8,11,14-Pentadecatrienyl)-1,2-benzenediol C21H30O2 314.22458 NA MeJP NA NA +MJ031328 5-Pentadecyl-1,3-benzenediol; 8',9'Z,11',12'Z,14,15-Hexadehydro C21H30O2 314.22458 NA MeJP NA NA +MJ031329 6,8,11,13-Abietatetraene-11,12-diol; 12-Me ether C21H30O2 314.22458 NA MeJP NA NA +MJ031330 8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-Me ether C21H30O2 314.22458 NA MeJP NA NA +MJ031331 8,11,13-Abietatrien-18-oic acid; Me ester C21H30O2 314.22458 NA MeJP NA NA +MJ031332 ?4(8)-Isotetrahydrocannabinol C21H30O2 314.22458 NA MeJP NA NA +MJ031333 ?4-Isotetrahydrocannabinol C21H30O2 314.22458 NA MeJP NA NA +MJ031334 ?8-Isotetrahydrocannabinol C21H30O2 314.22458 NA MeJP NA NA +MJ031335 ?8-Tetrahydrocannabinol C21H30O2 314.22458 NA MeJP NA NA +MJ031336 ?9-Tetrahydrocannabinol C21H30O2 314.22458 NA MeJP NA NA +MJ031337 Arenarol C21H30O2 314.22458 NA MeJP NA NA +MJ031338 Aureol C21H30O2 314.22458 NA MeJP NA NA +MJ031339 Avarol C21H30O2 314.22458 NA MeJP NA NA +MJ031340 Cannabichromene C21H30O2 314.22458 NA MeJP NA NA +MJ031341 Cannabicyclol C21H30O2 314.22458 NA MeJP NA NA +MJ031342 Cannabidiol C21H30O2 314.22458 NA MeJP NA NA +MJ031343 Chromazonarol C21H30O2 314.22458 NA MeJP NA NA +MJ031344 Farnesylhydroquinone C21H30O2 314.22458 NA MeJP NA NA +MJ031345 Helioporin D C21H30O2 314.22458 NA MeJP NA NA +MJ031346 Isozonarol; Natural-form C21H30O2 314.22458 NA MeJP NA NA +MJ031347 Longithorone B; 16?,21-Dihydro, 17?-alcohol C21H30O2 314.22458 NA MeJP NA NA +MJ031348 Metynodiol C21H30O2 314.22458 NA MeJP NA NA +MJ031349 P-Sterone C21H30O2 314.22458 NA MeJP NA NA +MJ031350 Pregn-4-ene-3,20-dione C21H30O2 314.22458 NA MeJP NA NA +MJ031351 Zonarol C21H30O2 314.22458 NA MeJP NA NA +MetaCyc02794 cannabichromene [2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-chromen-5-ol;] C21H30O2 314.22458 NA metacyc NA NA +MetaCyc02795 cannabidiol [2-(3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol;CBD;] C21H30O2 314.22458 NA metacyc NA NA +MetaCyc02796 Δ9tetrahydrocannabinol [dronabinol;THC;] C21H30O2 314.22458 NA metacyc NA NA +MetaCyc02797 progesterone [] C21H30O2 314.22458 NA metacyc NA NA +HMDB01830 Progesterone C21H30O2 314.22458 http://www.hmdb.ca/metabolites/HMDB01830 PFEM_hmdb_metabocards_blood NA blood +HMDB01830 Progesterone C21H30O2 314.22458 HMDB01830 PFEM_hmdb_metabocards_official NA NA +C00410 Progesterone C21H30O2 314.2246 NA KEGG NA NA +C06392 16,17-Didehydropregnenolone C21H30O2 314.2246 NA KEGG NA NA +C06972 Dronabinol C21H30O2 314.2246 NA KEGG NA NA +C07578 Cannabidiol C21H30O2 314.2246 NA KEGG NA NA +C08998 Cannabichromene C21H30O2 314.2246 NA KEGG NA NA +C14661 3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-17beta-ol C21H30O2 314.2246 NA KEGG NA NA +C15158 3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one C21H30O2 314.2246 NA KEGG NA NA +C15260 5beta-Pregn-11-ene-3,20-dione C21H30O2 314.2246 NA KEGG NA NA +C15342 17beta-Hydroxy-2alpha,17-dimethyl-4,9(11)-androstadien-3-one C21H30O2 314.2246 NA KEGG NA NA +C15402 17beta-Hydroxy-7alpha,17-dimethylandrosta-1,4-dien-3-one C21H30O2 314.2246 NA KEGG NA NA +C15468 3,5-Cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol C21H30O2 314.2246 NA KEGG NA NA +C15469 Butylated hydroxyanisole C21H30O2 314.2246 NA KEGG NA NA +C15470 Toxaphene C21H30O2 314.2246 NA KEGG NA NA +CJpos0742 Decenoylcarnitine isomer [(M+H)]+ (13C) C1613CH32NO4 314.228075 C18rt(min)=8.17 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0743 Decenoylcarnitine isomer [(M+H)]+ (13C) C1613CH32NO4 314.228075 C18rt(min)=8.38 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0742 Decenoylcarnitine isomer [(M+H)]+ (13C) C1613CH32NO4 314.228075 C18rt(min)=8.17 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0743 Decenoylcarnitine isomer [(M+H)]+ (13C) C1613CH32NO4 314.228075 C18rt(min)=8.38 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ031352 17-[(2-Aminoethyl)amino]estra-1,3,5(10)-trien-3-ol C20H30N2O 314.235813 NA MeJP NA NA +MJ031353 Fruticosonine; 3'-Alcohol C20H30N2O 314.235813 NA MeJP NA NA +MJ031354 Niphatesine E C20H30N2O 314.235813 NA MeJP NA NA +HMDB00782 Octadecanedioic acid C18H34O4 314.245697 NA HMDB2010 NA NA +HMDB04704 9,10-DHOME C18H34O4 314.245697 NA HMDB2010 NA NA +HMDB04705 12,13-DHOME C18H34O4 314.245697 NA HMDB2010 NA NA +EUR114 12,13-DHOME C18H34O4 314.2457 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR117 9,10-DHOME C18H34O4 314.2457 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR114 12,13-DHOME C18H34O4 314.2457 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR117 9,10-DHOME C18H34O4 314.2457 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR114 12,13-DHOME C18H34O4 314.2457 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR117 9,10-DHOME C18H34O4 314.2457 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00782 Octadecanedioic acid C18H34O4 314.2457 http://www.hmdb.ca/metabolites/HMDB00782 HMDB NA NA +HMDB04704 9,10-DHOME C18H34O4 314.2457 http://www.hmdb.ca/metabolites/HMDB04704 HMDB NA NA +HMDB04705 12,13-DHOME C18H34O4 314.2457 http://www.hmdb.ca/metabolites/HMDB04705 HMDB NA NA +EUR114 12,13-DHOME C18H34O4 314.2457 Wishlist Inhousejuil11 NA NA +EUR117 9,10-DHOME C18H34O4 314.2457 Wishlist Inhousejuil11 NA NA +C07355 (9Z)-(7S,8S)-Dihydroxyoctadecenoic acid C18H34O4 314.2457 NA KEGG NA NA +C14828 9,10-DHOME C18H34O4 314.2457 NA KEGG NA NA +C14829 12,13-DHOME C18H34O4 314.2457 NA KEGG NA NA +HMDB00782 Octadecanedioic acid C18H34O4 314.2457 HMDB00782 PFEM_hmdb_metabocards_official NA NA +HMDB04704 9,10-DHOME C18H34O4 314.2457 HMDB04704 PFEM_hmdb_metabocards_official NA NA +HMDB04705 12,13-DHOME C18H34O4 314.2457 HMDB04705 PFEM_hmdb_metabocards_official NA NA +MJ031355 12,13-Dihydroxy-9-octadecenoic acid C18H34O4 314.245709 NA MeJP NA NA +MJ031356 2-Methyl-3-tridecylbutanedioic acid C18H34O4 314.245709 NA MeJP NA NA +MJ031357 5,8-Dihydroxy-9-octadecenoic acid C18H34O4 314.245709 NA MeJP NA NA +MJ031358 7,10-Dihydroxy-8-octadecenoic acid C18H34O4 314.245709 NA MeJP NA NA +MJ031359 9,10-Dihydroxy-12-octadecenoic acid C18H34O4 314.245709 NA MeJP NA NA +MJ031360 9,10-Epoxy-18-hydroxyoctadecanoic acid C18H34O4 314.245709 NA MeJP NA NA +MJ031361 Plakortic acid; 3-Epimer, 9,10-dihydro, Me ester C18H34O4 314.245709 NA MeJP NA NA +EUR114 12,13-DHOME C18H34O4 314.24571 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR117 9,10-DHOME C18H34O4 314.24571 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR114 12,13-DHOME C18H34O4 314.24571 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR117 9,10-DHOME C18H34O4 314.24571 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR114 12,13-DHOME C18H34O4 314.24571 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR117 9,10-DHOME C18H34O4 314.24571 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR114 12,13-DHOME C18H34O4 314.24571 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR117 9,10-DHOME C18H34O4 314.24571 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR114 12,13-DHOME C18H34O4 314.24571 Wishlist HMDB NA NA +EUR117 9,10-DHOME C18H34O4 314.24571 Wishlist HMDB NA NA +EUR114 12,13-DHOME C18H34O4 314.24571 Wishlist Inhouse_PFEM NA NA +EUR117 9,10-DHOME C18H34O4 314.24571 Wishlist Inhouse_PFEM NA NA +MetaCyc02798 9,10-epoxy-18-hydroxystearate [] C18H34O4 314.24571 NA metacyc NA NA +EUR114 12,13-DHOME C18H34O4 314.24571 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR117 9,10-DHOME C18H34O4 314.24571 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR114 12,13-DHOME C18H34O4 314.24571 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR117 9,10-DHOME C18H34O4 314.24571 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR487 9,10-DHOME F1 NA 314.247725 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR487 9,10-DHOME F1 NA 314.247725 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR487 9,10-DHOME F1 NA 314.247725 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR487 9,10-DHOME F1 NA 314.247725 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +MJ031362 15-Docosene-1,3-diyn-5-one C22H34O 314.260965 NA MeJP NA NA +MJ031363 7-Hydroxy-1,3,5,10,14-phytapentaen-13-one, 13-Deoxo, Et ether C22H34O 314.260965 NA MeJP NA NA +MJ031364 Mansumbinol; 3-Ketone C22H34O 314.260965 NA MeJP NA NA +MJ031365 Conarrhimine C21H34N2 314.272199 NA MeJP NA NA +MJ031366 Niphatesine B C21H34N2 314.272199 NA MeJP NA NA +MJ031367 2-Hydroxy-17-methyloctadecanoic acid C19H38O3 314.282095 NA MeJP NA NA +MJ031368 3-(1-Hexadecenyloxy)-1,2-propanediol C19H38O3 314.282095 NA MeJP NA NA +MJ031369 1,20-Eicosanediol C20H42O2 314.31848 NA MeJP NA NA +7849 NA YPFFG 314.636 MH2+ Inhouse_peptide NA peptide +MJ031370 5,7-Dibromo-8-hydroxy-2-methylquinoline C10H7Br2NO 314.889439 NA MeJP NA NA +MJ031371 3',4',5-Trichlorosalicylanilide C13H8Cl3NO2 314.962061 NA MeJP NA NA +MJ031372 Bromazepam C14H10BrN3O 315.000724 NA MeJP NA NA +MJ031373 Midesteine C12H13NO3S3 315.005755 NA MeJP NA NA +MJ031374 N-[4-(Dimethylarsinoyl)butanoyl]aminoethylsulfonic acid C8H18AsNO5S 315.012164 NA MeJP NA NA +MJ031375 Efavirenz C14H9ClF3NO2 315.02739 NA MeJP NA NA +C08088 Efavirenz C14H9ClF3NO2 315.0274 NA KEGG NA NA +MJ031376 5-Chloro-7,8-dihydro-3-phenylfuro[2,3-g]-1,2-benzisoxazole-7-carboxylic acid C16H10ClNO4 315.029835 NA MeJP NA NA +MJ031377 Clonazepam C15H10ClN3O3 315.041068 NA MeJP NA NA +MJ031378 2-Amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid, 4-Me ether, N,N,N-tri-Me, betaine C13H18BrNO3 315.047006 NA MeJP NA NA +MJ031379 2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid, 2-(2-Thienyl)ethyl ester C16H13NO4S 315.056528 NA MeJP NA NA +MetaCyc02799 p-nitrophenyl-β-D-glucuronide [] C12H13N1O9 315.059031 NA metacyc NA NA +MJ031380 Clociguanil C12H15Cl2N5O 315.065365 NA MeJP NA NA +MJ031381 Oxfendazole C15H13N3O3S 315.067761 NA MeJP NA NA +MJ031382 2-Amino-5-hydroxybenzoic acid; N-(3,4-Dihydroxycinnamoyl)(E-) C16H13NO6 315.074287 NA MeJP NA NA +MJ031383 2-Amino-5-hydroxybenzoic acid; N-(3,4-Dihydroxycinnamoyl)(Z-) C16H13NO6 315.074287 NA MeJP NA NA +MJ031384 Fotemustine C9H19ClN3O5P 315.075084 NA MeJP NA NA +MJ031385 N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine C16H14ClN3O2 315.077454 NA MeJP NA NA +MJ031386 Cyclodercitin C19H14N3S(+) 315.083018 NA MeJP NA NA +C07953 Chlorprothixene C18H18ClNS 315.0848 NA KEGG NA NA +C07954 Transferred to D00791 C18H18ClNS 315.0848 NA KEGG NA NA +MJ031387 Chlorprothixene C18H18ClNS 315.084847 NA MeJP NA NA +FL7ACDNS0001 Rosinidin C17H15O6 315.08686 4092-64-2 knapsack NA NA +C08729 Rosinidin C17H15O6 315.0869 NA KEGG NA NA +MJ031388 3-[[(2-Amino-2-oxoethyl)methylamino]methyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid C12H17N3O5S 315.088891 NA MeJP NA NA +MJ031389 1,1,1-Trichloro-5-undecylamine, N-Ac C13H24Cl3NO 315.092347 NA MeJP NA NA +MJ031390 Protizinic acid C17H17NO3S 315.092914 NA MeJP NA NA +PJ000263 GCH C11H17N5O4S 315.1001 NA PeJP NA NA +MJ031391 Pauridianthine C19H13N3O2 315.100776 NA MeJP NA NA +MJ031392 Pauridianthinine C19H13N3O2 315.100776 NA MeJP NA NA +MJ031393 1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-?-carboline-3-carboxylic acid C16H17N3O2S 315.104147 NA MeJP NA NA +MJ031394 1,2,3,4-Tetrahydroxyacridone; 2,3,4,10-Tetra-Me C17H17NO5 315.110672 NA MeJP NA NA +MJ031395 1,2,3,4-Tetramethoxy-10-methylacridone; N-De-Me C17H17NO5 315.110672 NA MeJP NA NA +MJ031396 1,2,3,5-Tetrahydroxyacridone; 2,3,5,10-O,O,O,N-Tetra-Me C17H17NO5 315.110672 NA MeJP NA NA +MJ031397 1,3,5,6-Tetrahydroxyacridone; 3,5,6,10-O,O,O,N-Tetra-Me C17H17NO5 315.110672 NA MeJP NA NA +MJ031398 3,4-Dihydro-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-2(1H)-quinolinone C17H17NO5 315.110672 NA MeJP NA NA +MJ031399 Flindersine; 8-Hydroxy, N-(acetoxymethyl) C17H17NO5 315.110672 NA MeJP NA NA +MJ031400 Hippeastrine C17H17NO5 315.110672 NA MeJP NA NA +MJ031401 Macronine, 3-Epimer, O-de-Me C17H17NO5 315.110672 NA MeJP NA NA +MJ031402 Macronine, N-De-Me C17H17NO5 315.110672 NA MeJP NA NA +MJ031403 Macronine, O-De-Me C17H17NO5 315.110672 NA MeJP NA NA +MJ031404 Renierol; O-Angeloyl C17H17NO5 315.110672 NA MeJP NA NA +MJ031405 Tubispacine C17H17NO5 315.110672 NA MeJP NA NA +MJ031406 Ungspiroline C17H17NO5 315.110672 NA MeJP NA NA +C08528 Hippeastrine C17H17NO5 315.1107 NA KEGG NA NA +MJ031407 Bumetrizole C17H18ClN3O 315.113839 NA MeJP NA NA +MJ031408 Clobenzepam C17H18ClN3O 315.113839 NA MeJP NA NA +MJ031409 Timelotem C17H18FN3S 315.120546 NA MeJP NA NA +MJ031410 Anthramycin C16H17N3O4 315.121906 NA MeJP NA NA +MJ031411 Antibiotic PBA C16H17N3O4 315.121906 NA MeJP NA NA +MJ031412 Maremycin D1 C16H17N3O4 315.121906 NA MeJP NA NA +PJ000264 PPC C13H21N3O4S 315.1253 NA PeJP NA NA +8281 Antioxidative peptide YGYTGA 315.126 MH2+ Inhouse_peptide NA peptide +MJ031413 Iprozilamine C13H22ClN5S 315.128444 NA MeJP NA NA +MJ031414 4,5,5a,6,7,11b-Hexahydro-2-propylbenzo[f]thieno[2,3-c]quinoline-9,10-diol C18H21NO2S 315.129299 NA MeJP NA NA +MJ031415 Dopamine; O3-?-D-Glucopyranoside C14H21NO7 315.131802 NA MeJP NA NA +MJ031416 Dopamine; O4-?-D-Glucopyranoside C14H21NO7 315.131802 NA MeJP NA NA +MJ031417 Angustine; 18,19-Dihydro C20H17N3O 315.137162 NA MeJP NA NA +MJ031418 Angustine; 3,14-Dihydro C20H17N3O 315.137162 NA MeJP NA NA +C17364 Clavamycin D C13H21N3O6 315.143 NA KEGG NA NA +MJ031419 Clavamycin D C13H21N3O6 315.143035 NA MeJP NA NA +PJ000265 APE C13H21N3O6 315.1431 NA PeJP NA NA +7690 ACE inhibitor from red algae AKYSY 315.1445 MH2+ Inhouse_peptide NA peptide +MJ031420 14-Hydroxycodeine C18H21NO4 315.147058 NA MeJP NA NA +MJ031421 2-Methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzenamine C18H21NO4 315.147058 NA MeJP NA NA +MJ031422 4-(2-Aminoethyl)phenol; N-[3-(4-Hydroxy-3-methoxyphenyl)propanoyl] C18H21NO4 315.147058 NA MeJP NA NA +MJ031423 4-[2-(Acetylmethylamino)ethyl]-4-(4-hydroxy-3-methoxyphenyl)-2,4-cyclohexadien-1-one C18H21NO4 315.147058 NA MeJP NA NA +MJ031424 8,14-Dihydrosalutaridine, N-De-Me C18H21NO4 315.147058 NA MeJP NA NA +MJ031425 Annonelliptine, N-De-Me C18H21NO4 315.147058 NA MeJP NA NA +MJ031426 Cephalotaxine C18H21NO4 315.147058 NA MeJP NA NA +MJ031427 Chelonin C C18H21NO4 315.147058 NA MeJP NA NA +MJ031428 Chlidanthine; O2-De-Me, O2-Ac C18H21NO4 315.147058 NA MeJP NA NA +MJ031429 Clivojuline C18H21NO4 315.147058 NA MeJP NA NA +MJ031430 Codeine; N-Oxide C18H21NO4 315.147058 NA MeJP NA NA +MJ031431 Edulinine, 3'-Deoxy, 3',4'-didehydro, Ac C18H21NO4 315.147058 NA MeJP NA NA +MJ031432 Erysopitine; O16-Me, 2-ketone C18H21NO4 315.147058 NA MeJP NA NA +MJ031433 Erysotinone C18H21NO4 315.147058 NA MeJP NA NA +MJ031434 Erythrartine; Me ether, O15,O16-di-de-Me C18H21NO4 315.147058 NA MeJP NA NA +MJ031435 Erythrartine; O15-De-Me C18H21NO4 315.147058 NA MeJP NA NA +MJ031436 Erythrartine; O16-De-Me C18H21NO4 315.147058 NA MeJP NA NA +MJ031437 Erythratine C18H21NO4 315.147058 NA MeJP NA NA +MJ031438 Haplophyllidine; 5,6-Didehydro C18H21NO4 315.147058 NA MeJP NA NA +MJ031439 Homolycorine C18H21NO4 315.147058 NA MeJP NA NA +MJ031440 Jamtine; O2,O3-Di-de-Me C18H21NO4 315.147058 NA MeJP NA NA +MJ031441 Jolantimine C18H21NO4 315.147058 NA MeJP NA NA +MJ031442 Juziphine; N-Oxide C18H21NO4 315.147058 NA MeJP NA NA +MJ031443 Narcisine C18H21NO4 315.147058 NA MeJP NA NA +MJ031444 Neostemonine; 1,9a,2,3-Tetradehydro C18H21NO4 315.147058 NA MeJP NA NA +MJ031445 Oduline; Me ether C18H21NO4 315.147058 NA MeJP NA NA +MJ031446 Orientaline, N-De-Me C18H21NO4 315.147058 NA MeJP NA NA +MJ031447 Ornazidine; O11-Ac C18H21NO4 315.147058 NA MeJP NA NA +MJ031448 Oxymorphone; 3-Me ether C18H21NO4 315.147058 NA MeJP NA NA +MJ031449 Pancracine; Di-Me ether C18H21NO4 315.147058 NA MeJP NA NA +MJ031450 Perfamine, 5,6-Dihydro C18H21NO4 315.147058 NA MeJP NA NA +MJ031451 Pluviine; O10-De-Me, O1-Ac C18H21NO4 315.147058 NA MeJP NA NA +MJ031452 Pluviine; O9-De-Me, O1-Ac C18H21NO4 315.147058 NA MeJP NA NA +MJ031453 Protosinomenine; N-De-Me C18H21NO4 315.147058 NA MeJP NA NA +MJ031454 Robustidine C18H21NO4 315.147058 NA MeJP NA NA +MJ031455 Salutaridine, 5,6-Dihydro, N-de-Me C18H21NO4 315.147058 NA MeJP NA NA +MJ031456 Sanguinine; O6-Ac C18H21NO4 315.147058 NA MeJP NA NA +MJ031457 Sendaverine; 3'-Hydroxy C18H21NO4 315.147058 NA MeJP NA NA +MJ031458 Sendaverine; N-Oxide C18H21NO4 315.147058 NA MeJP NA NA +MJ031459 Stephaoxocanine C18H21NO4 315.147058 NA MeJP NA NA +MJ031460 Stepharinosine C18H21NO4 315.147058 NA MeJP NA NA +MJ031461 Wisanine C18H21NO4 315.147058 NA MeJP NA NA +MJ031462 Isoptelefolonium C18H22NO4(+) 315.147058 NA MeJP NA NA +MJ031463 Ptelefolonium(1+) C18H22NO4(+) 315.147058 NA MeJP NA NA +MJ031464 (R)-Norreticuline C18H21NO4 315.147058 NA MeJP NA NA +MJ031465 (S)-Nororientaline C18H21NO4 315.147058 NA MeJP NA NA +MJ031466 (S)-Norreticuline C18H21NO4 315.147058 NA MeJP NA NA +MJ031467 3'-Hydroxy-N-methyl-(S)-coclaurine C18H21NO4 315.147058 NA MeJP NA NA +MetaCyc02800 nororientaline [11-[(4-hydroxy-3-methoxy-phenyl)methyl]-6-methoxy-1,2,3,4- tetrahydroisoquinolin-7-ol;] C18H21N1O4 315.147058 NA metacyc NA NA +MetaCyc02801 3'-hydroxy-N-methyl-(S)-coclaurine [(S)-3-hydroxy-N-methylcoclaurine;4-[(7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinol-1-yl)methyl]benzene-1,2-diol;] C18H21N1O4 315.147058 NA metacyc NA NA +HMDB06921 (S)-3-Hydroxy-N-methylcoclaurine C18H21NO4 315.14706 http://www.hmdb.ca/metabolites/HMDB06921 HMDB NA NA +HMDB06921 (S)-3-Hydroxy-N-methylcoclaurine C18H21NO4 315.14706 HMDB06921 PFEM_hmdb_metabocards_official NA NA +HMDB06921 (S)-3-Hydroxy-N-methylcoclaurine C18H21NO4 315.147064 NA HMDB2010 NA NA +C05202 3'-Hydroxy-N-methyl-(S)-coclaurine C18H21NO4 315.1471 NA KEGG NA NA +C05317 Nororientaline C18H21NO4 315.1471 NA KEGG NA NA +C06516 (R)-Norreticuline C18H21NO4 315.1471 NA KEGG NA NA +C06518 (S)-Nororientaline C18H21NO4 315.1471 NA KEGG NA NA +C06520 (S)-Norreticuline C18H21NO4 315.1471 NA KEGG NA NA +C08018 Oxycodone C18H21NO4 315.1471 NA KEGG NA NA +C10580 Cephalotaxine C18H21NO4 315.1471 NA KEGG NA NA +C12329 (R,S)-Norreticuline C18H21NO4 315.1471 NA KEGG NA NA +C15018 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one C18H21NO4 315.1471 NA KEGG NA NA +C15362 4-Nitroestrone C18H21NO4 315.1471 NA KEGG NA NA +MJ031468 Rotigotine C19H25NOS 315.165685 NA MeJP NA NA +3541 ACE inhibitor LSP 315.168 ACE inhibitor Inhouse_peptide NA peptide +MJ031469 Echinatine; N-Oxide C15H25NO6 315.168187 NA MeJP NA NA +MJ031470 Indicine; N-Oxide C15H25NO6 315.168187 NA MeJP NA NA +MJ031471 Intermedine; 3'-Epimer, N-oxide C15H25NO6 315.168187 NA MeJP NA NA +MJ031472 Ipanguline D3; 2''-Epimer, 3''-Ac C15H25NO6 315.168187 NA MeJP NA NA +MJ031473 Ipanguline D3; 3''-Ac C15H25NO6 315.168187 NA MeJP NA NA +MJ031474 1-Carboxytrypargine C16H21N5O2 315.169524 NA MeJP NA NA +MJ031475 Alizapride C16H21N5O2 315.169524 NA MeJP NA NA +PJ000266 SPL C14H25N3O5 315.1794 NA PeJP NA NA +MJ031476 Aspergillus oryzae Cysteine protease inhibitors; CPI 2 C14H25N3O5 315.17942 NA MeJP NA NA +C08518 Belladine C19H25NO3 315.1834 NA KEGG NA NA +MJ031477 3,5-Bis(3-methyl-2-butenyl)-1H-indole; 1''-Oxo, 2',3'-dihydro, 2'R-hydroxy, 3'-methoxy C19H25NO3 315.183443 NA MeJP NA NA +MJ031478 Amuroline C19H25NO3 315.183443 NA MeJP NA NA +MJ031479 Belladine C19H25NO3 315.183443 NA MeJP NA NA +MJ031480 Cryprochine C19H25NO3 315.183443 NA MeJP NA NA +MJ031481 Dopamantine C19H25NO3 315.183443 NA MeJP NA NA +MJ031482 Epilupinine, O-(4-Hydroxy-E-cinnamoyl) C19H25NO3 315.183443 NA MeJP NA NA +MJ031483 Epilupinine, O-(4-Hydroxy-Z-cinnamoyl) C19H25NO3 315.183443 NA MeJP NA NA +MJ031484 Lucidinine C19H25NO3 315.183443 NA MeJP NA NA +MJ031485 Lupinine, O-4-Hydroxy-E-cinnamoyl C19H25NO3 315.183443 NA MeJP NA NA +MJ031486 Luteinine C19H25NO3 315.183443 NA MeJP NA NA +MJ031487 Mitiglinide C19H25NO3 315.183443 NA MeJP NA NA +MJ031488 Piperolein A C19H25NO3 315.183443 NA MeJP NA NA +MJ031489 Taxodine C19H25NO3 315.183443 NA MeJP NA NA +2729 erythromycin inhibitor MLIRV 315.1887 MH2+ Inhouse_peptide NA peptide +MJ031490 Indolactam I C18H25N3O2 315.194677 NA MeJP NA NA +MJ031491 Martensine A C18H25N3O2 315.194677 NA MeJP NA NA +MJ031492 Pandamarine C18H25N3O2 315.194677 NA MeJP NA NA +MJ031493 Fendiline C23H25N 315.198699 NA MeJP NA NA +8318 Dvl protein binding VVV 315.204 Short chain acyl carnitines ;SYN:Isovaleryl L-carnitine; IsovalerylcarnitineH2Blood Inhouse_peptide NA peptide +MJ031494 Curassavine; N-Oxide C16H29NO5 315.204573 NA MeJP NA NA +MJ031495 N-(2-Ethylhexyl)-3-hydroxybutanamide; Succinoyl C16H29NO5 315.204573 NA MeJP NA NA +C12946 Butoctamide hydrogen succinate C16H29NO5 315.2046 NA KEGG NA NA +C12947 Transferred to D01499 C16H29NO5 315.2046 NA KEGG NA NA +PJ000267 ALL C15H29N3O4 315.2158 NA PeJP NA NA +C11791 Bremazocine C20H29NO2 315.2198 NA KEGG NA NA +MJ031496 2-Undecyl-4(1H)-quinolinone; N-Oxide C20H29NO2 315.219829 NA MeJP NA NA +MJ031497 Bremazocine C20H29NO2 315.219829 NA MeJP NA NA +MJ031498 Himbadine; N-De-Me C20H29NO2 315.219829 NA MeJP NA NA +MJ031499 N-(4-Hydroxyphenethyl)-2,4-dodecadienamide C20H29NO2 315.219829 NA MeJP NA NA +MJ031500 Hopeanine C19H29N3O 315.231062 NA MeJP NA NA +MJ031501 Pamaquine C19H29N3O 315.231062 NA MeJP NA NA +CJpos0744 Decanoylcarnitine isomer [(M+H)]+ C17H34NO4 315.240375 C18rt(min)=8.74 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0745 Decanoylcarnitine [(M+H)]+ C17H34NO4 315.240375 C18rt(min)=8.97 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0744 Decanoylcarnitine isomer [(M+H)]+ C17H34NO4 315.240375 C18rt(min)=8.74 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0745 Decanoylcarnitine [(M+H)]+ C17H34NO4 315.240375 C18rt(min)=8.97 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +HMDB00651 Decanoylcarnitine C17H33NO4 315.240967 NA HMDB2010 NA NA +HMDB00651 Decanoylcarnitine C17H33NO4 315.24097 http://www.hmdb.ca/metabolites/HMDB00651 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00651 Decanoylcarnitine C17H33NO4 315.24097 http://www.hmdb.ca/metabolites/HMDB00651 HMDB NA NA +HMDB00651 Decanoylcarnitine C17H33NO4 315.24097 NA ;SYN:3-Nitrotyrosine; 5-Nitrotyrosine; m-NitrotyrosineH2Blood; Cerebrospinal Fluid Inhouse_peptide NA peptide +HMDB00651 Decanoylcarnitine C17H33NO4 315.24097 http://www.hmdb.ca/metabolites/HMDB00651 PFEM_hmdb_metabocards_blood NA blood +HMDB00651 Decanoylcarnitine C17H33NO4 315.24097 HMDB00651 PFEM_hmdb_metabocards_official NA NA +C03299 O-Decanoyl-L-carnitine C17H33NO4 315.241 NA KEGG NA NA +MJ031502 2-Heptyl-1-cyclopropanepropanoic acid, 2-Phenylethylamide C21H33NO 315.256214 NA MeJP NA NA +MJ031503 3-Aminopregn-5-en-20-one C21H33NO 315.256214 NA MeJP NA NA +MJ031504 3-Aminopregna-5,16-dien-20-ol C21H33NO 315.256214 NA MeJP NA NA +MJ031505 Latifoline; N-De-Me C21H33NO 315.256214 NA MeJP NA NA +MJ031506 Ramciclane C21H33NO 315.256214 NA MeJP NA NA +C10778 Panamine C20H33N3 315.2674 NA KEGG NA NA +MJ031507 Epipodopetaline C20H33N3 315.267448 NA MeJP NA NA +MJ031508 Oceanapamine C20H33N3 315.267448 NA MeJP NA NA +MJ031509 Ormosine C20H33N3 315.267448 NA MeJP NA NA +MJ031510 Panamine C20H33N3 315.267448 NA MeJP NA NA +MJ031511 Podopetaline C20H33N3 315.267448 NA MeJP NA NA +MJ031512 2-Amino-8-octadecene-1,3,4-triol C18H37NO3 315.277344 NA MeJP NA NA +MJ031513 Leptophyllin A C18H37NO3 315.277344 NA MeJP NA NA +MJ031514 Prosopine C18H37NO3 315.277344 NA MeJP NA NA +2797 peptide toxic from alpha-gliadin YPQPQ 315.6415 MH2+ Inhouse_peptide NA peptide +3399 NA AMKPW 315.6512 MH2+ Inhouse_peptide NA peptide +7660 ACE inhibitor from as2-CN (189-192) AMKPW 315.6512 MH2+ Inhouse_peptide NA peptide +8165 peptide derived from bovine k-casein (112-116) KNQDK 315.6579 MH2+ Inhouse_peptide NA peptide +MJ031515 2,4-Dibromo-6-chloro-1,3,5-benzenetriol C6H3Br2ClO3 315.813746 NA MeJP NA NA +MJ031516 1-Bromo-3,4-dichloro-7-chloromethyl-3-methyl-1,5,7-octatriene C10H12BrCl3 315.918796 NA MeJP NA NA +MJ031517 5,6-Dibromotryptamine C10H10Br2N2 315.921073 NA MeJP NA NA +MJ031518 Bis[1-hydroxy-2(1H)-pyridinethionato-O,S]zinc C10H8N2O2S2Zn 315.931865 NA MeJP NA NA +C13427 Pyrithione zinc C22H35IO2 315.9319 NA KEGG NA NA +C13428 Transferred to D01939 C22H35IO2 315.9319 NA KEGG NA NA +C04596 1,1-Dichloro-2,2-bis(4-chlorophenyl)ethylene C14H8Cl4 315.938 NA KEGG NA NA +C14133 2,2-(2-Chlorophenyl-4'-chlorophenyl)-1,1-dichloroethene C14H8Cl4 315.938 NA KEGG NA NA +MJ031519 1,1-Dichloro-2,2-bis(4-chlorophenyl)ethylene C14H8Cl4 315.938011 NA MeJP NA NA +MetaCyc02802 1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene [] C14H8CL4 315.938011 50-29-3 metacyc NA NA +MJ031520 Pyoluteorin; 3'-Nitro C11H6Cl2N2O5 315.965376 NA MeJP NA NA +C14136 1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane C14H11Cl3O2 315.9825 NA KEGG NA NA +MJ031521 Pazoxide C12H10Cl2N2O2S 315.984003 NA MeJP NA NA +MJ031522 Pentaerithrityl tetranitrate C5H8N4O12 316.013871 NA MeJP NA NA +MJ031523 Ellagic acid; 3-Me ether C15H8O8 316.021917 NA MeJP NA NA +MJ031524 Chloromycorrhizinol A C14H14Cl2O4 316.026914 NA MeJP NA NA +MJ031525 Mycorrhizin A, 3-Chloro C14H14Cl2O4 316.026914 NA MeJP NA NA +MJ031526 2,3,7-Trihydroxy-1,6-phenazinedicarboxylic acid C14H8N2O7 316.03315 NA MeJP NA NA +MJ031527 Isatoribine C10H12N4O6S 316.047754 NA MeJP NA NA +MJ031528 Arborescidine C; 17-Deoxy, 16,17-didehydro C16H17BrN2 316.057511 NA MeJP NA NA +MJ031529 Zimeldine C16H17BrN2 316.057511 NA MeJP NA NA +JH215 Isorhamnetin [M+H]+ C16H12O7 316.0578 19.02 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH215 Isorhamnetin [M+H]+ C16H12O7 316.0578 19.02 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH215 Isorhamnetin [M+H]+ C16H12O7 316.0578 19.02 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH215 Isorhamnetin [M+H]+ C16H12O7 316.0578 19.02 Inhousejuil11 NA NA +HMDB02655 Isorhamnetin C16H12O7 316.058289 NA HMDB2010 NA NA +HMDB02655 Isorhamnetin C16H12O7 316.05829 http://www.hmdb.ca/metabolites/HMDB02655 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02655 Isorhamnetin C16H12O7 316.05829 http://www.hmdb.ca/metabolites/HMDB02655 HMDB NA NA +HMDB02655 Isorhamnetin C16H12O7 316.05829 http://www.hmdb.ca/metabolites/HMDB02655 PFEM_hmdb_metabocards_blood NA blood +HMDB02655 Isorhamnetin C16H12O7 316.05829 HMDB02655 PFEM_hmdb_metabocards_official NA NA +C04443 3',4',5,7-Tetrahydroxy-3-methoxyflavone C16H12O7 316.0583 NA KEGG NA NA +C08999 Capillarisin C16H12O7 316.0583 NA KEGG NA NA +C10022 Azaleatin C16H12O7 316.0583 NA KEGG NA NA +C10084 Isorhamnetin C16H12O7 316.0583 NA KEGG NA NA +C10119 Pedalitin C16H12O7 316.0583 NA KEGG NA NA +C10120 Pinoquercetin C16H12O7 316.0583 NA KEGG NA NA +C10176 Rhamnetin C16H12O7 316.0583 NA KEGG NA NA +C10185 Sexangularetin C16H12O7 316.0583 NA KEGG NA NA +C10188 Tamarixetin C16H12O7 316.0583 NA KEGG NA NA +FL2FE8NS0005 5,2',3'-Trihydroxy-6,7-methylenedioxyflavanone C16H12O7 316.0583 188440-64-4 knapsack NA NA +FL3FAJNS0001 Tricetin 4'-methyl ether;2-(3,5-Dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C16H12O7 316.0583 90745-22-5 knapsack NA NA +FL3FECNS0004 Nepetin C16H12O7 316.0583 520-11-6 knapsack NA NA +FL3FECNS0005 Pedalitin;3',4',5,6-Tetrahydroxy-7-methoxyflavone;2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one C16H12O7 316.0583 22384-63-0 knapsack NA NA +FL3FECNS0006 Nodifloretin;Batatifolin;4',5,6,7-Tetrahydroxy-3'-methoxyflavone;5,6,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C16H12O7 316.0583 23494-48-6 knapsack NA NA +FL3FECNS0007 6-Hydroxyluteolin 4'-methyl ether C16H12O7 316.0583 57093-49-9 knapsack NA NA +FL3FECNS0019 Carajuflavone;2-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-5-methoxy-4H-1-benzopyran-4-one C16H12O7 316.0583 163318-80-7 knapsack NA NA +FL3FFCNS0002 Onopordin;5,7,3',4'-Tetrahydroxy-8-methoxyflavone;8-Methoxyluteolin;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one C16H12O7 316.0583 01/04/5916 knapsack NA NA +FL3FFCNS0003 Hypolaetin 3'-methyl ether C16H12O7 316.0583 5911-00-2 knapsack NA NA +FL4DPTNS0003 Crombeone C16H12O7 316.0583 30759-13-8 knapsack NA NA +FL5F2CNS0003 3-Methoxy-6,7,3',4'-tetrahydroxyflavone;2-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one C16H12O7 316.0583 159506-36-2 knapsack NA NA +FL5F2CNS0004 7-Methoxy-3,6,3',4'-tetrahydroxyflavone;2-(3,4-Dihydroxyphenyl)-3,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one C16H12O7 316.0583 205316-55-8 knapsack NA NA +FL5F3CNS0002 Transilitin;3',4',7,8-Tetrahydroxy-3-methoxyflavone;2-(3,4-Dihydroxyphenyl)-7,8-dihydroxy-3-methoxy-4H-1-benzopyran-4-one C16H12O7 316.0583 26788-86-3 knapsack NA NA +FL5F3CNS0003 3,7,3',4'-Tetrahydroxy-8-methoxyflavone C16H12O7 316.0583 38510-54-2 knapsack NA NA +FL5F3CNS0006 3'-O-Methylmelanoxetin;3,7,8-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C16H12O7 316.0583 63807-91-0 knapsack NA NA +FL5FACNM0001 Pinoquercetin C16H12O7 316.0583 491-49-6 knapsack NA NA +FL5FADNS0001 Isorhamnetin;3,4',5,7-Tetrahydroxy-3'-methoxyflavone;3'-O-Methylquercetin;3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C16H12O7 316.0583 480-19-3 knapsack NA NA +FL5FAENS0001 Tamarixetin;3,3',5,7-Tetrahydroxy-4'-methoxyflavone;4'-O-Methylquercetin;3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one C16H12O7 316.0583 603-61-2 knapsack NA NA +FL5FALNS0003 Milimorin C16H12O7 316.0583 95065-10-4 knapsack NA NA +FL5FBCNS0001 Azaleatin C16H12O7 316.0583 529-51-1 knapsack NA NA +FL5FCCNS0001 Rhamnetin;3,5,3',4'-Tetrahydroxy-7-methoxyflavone;7-Methoxyquercetin;2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1- benzopyran-4-one C16H12O7 316.0583 90-19-7 knapsack NA NA +FL5FDCNS0001 Quercetin 3-methyl ether C16H12O7 316.0583 1486-70-0 knapsack NA NA +FL5FEANS0003 5,6,7,4'-Tetrahydroxy-3-methoxyflavone C16H12O7 316.0583 76060-25-8 knapsack NA NA +FL5FEANS0004 Vogeletin C16H12O7 316.0583 5217-93-6 knapsack NA NA +FL5FEANS0005 6-Methoxykaempferol;3,5,7,4'-Tetrahydroxy-6-methoxyflavone;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one C16H12O7 316.0583 32520-55-1 knapsack NA NA +FL5FEANS0006 3,5,6,4'-Tetrahydroxy-7-methoxyflavone C16H12O7 316.0583 111864-35-8 knapsack NA NA +FL5FEANS0007 3,5,6,7-Tetrahydroxy-4'-methoxyflavone C16H12O7 316.0583 58942-16-8 knapsack NA NA +FL5FF8NS0001 3,5,8,2'-Tetrahydroxy-7-methoxyflavone C16H12O7 316.0583 112161-54-3 knapsack NA NA +FL5FFANS0002 Sexangularetin C16H12O7 316.0583 571-74-4 knapsack NA NA +FL5FFANS0004 5,7,8,4'-Tetrahydroxy-3-methoxyflavone;3-Methylherbacetin;5,7,8-Trihydroxy-2-(4-hydroxyphenyl)-3-methoxy-4H-1-benzopyran-4-one C16H12O7 316.0583 86749-50-0 knapsack NA NA +FL5FFANS0005 Pollenitin;3,4',5,8-Tetrahydroxy-7-methoxyflavone;7-O-Methylherbacetin;3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C16H12O7 316.0583 24487-56-7 knapsack NA NA +FL5FFANS0006 Herbacetin 4'-methyl ether;3,5,7,8-Tetrahydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C16H12O7 316.0583 96238-95-8 knapsack NA NA +FLIAAJNS0001 Junipegenin A;5,7,3',5'-Tetrahydroxy-4'-methoxyisoflavone C16H12O7 316.0583 76265-28-6 knapsack NA NA +FLIAECNS0008 5,6,7,4'-Tetrahydroxy-3'-methoxyisoflavone C16H12O7 316.0583 94390-23-5 knapsack NA NA +FLIAGANS0001 5,6,7,4'-Tetrahydroxy-8-methoxyisoflavone C16H12O7 316.0583 94411-01-5 knapsack NA NA +FLIDHXNS0010 6a,7-Dihydroxymaackiain;3,6a,7-Trihydroxy-8,9-methylenedioxypterocarpan C16H12O7 316.0583 61135-99-7 knapsack NA NA +FLIFHXNS0005 (-)-4,9,11,12a-Tetrahydroxyrotenone C16H12O7 316.0583 106915-82-6 knapsack NA NA +MJ031530 3',4',5,7-Tetrahydroxy-3-methoxyflavone C16H12O7 316.058302 NA MeJP NA NA +MJ031531 1,2,3,4,5-Pentahydroxy-7-methylanthraquinone; 2-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031532 1,2,3,5,8-Pentahydroxyanthraquinone; 1,3-Di-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031533 1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 1-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031534 1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 2-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031535 1,2,3,7,8-Pentahydroxyanthraquinone; 2,3-Di-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031536 1,2-Epoxy-8-hydroxy-6-(hydroxymethyl)-1-methoxycarbonylxanthone C16H12O7 316.058302 NA MeJP NA NA +MJ031537 1,3,4,5,7-Pentahydroxy-2-methylanthraquinone; 7-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031538 1,3,5,6,8-Pentahydroxy-2-methylanthraquinone; 6-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031539 1,3,5,6-Tetrahydroxy-2-hydroxymethylanthraquinone; 6-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031540 1,3,5,7,8-Pentahydroxy-2-methylanthraquinone; 7-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031541 2',3',5,6,7-Pentahydroxyflavanone, 6,7-Methylene ether C16H12O7 316.058302 NA MeJP NA NA +MJ031542 2',3,4',5,7-Pentahydroxyflavone; 2'-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031543 2',3,4',5,7-Pentahydroxyflavone; 4'-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031544 2',4',5,5',7-Pentahydroxyisoflavone; 5'-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031545 2',4',5,6,7-Pentahydroxyflavone; 6-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031546 2-Acetyl-1,3,6,8-tetrahydroxyanthraquinone; 1'R-Alcohol C16H12O7 316.058302 NA MeJP NA NA +MJ031547 3',4',5,5',7-Pentahydroxyflavone; 3'-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031548 3',4',5,5',7-Pentahydroxyflavone; 4'-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031549 3',4',5,5',7-Pentahydroxyisoflavone; 4'-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031550 3',4',5,6,7-Pentahydroxyflavone; 4'-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031551 3',4',5,6,7-Pentahydroxyflavone; 5-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031552 3',4',5,6,7-Pentahydroxyisoflavone; 3'-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031553 3',4',5,6-Tetrahydroxy-7-methoxyflavone C16H12O7 316.058302 NA MeJP NA NA +MJ031554 3',4',5,7,8-Pentahydroxyflavone; 8-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031555 3',4',5,7,8-Pentahydroxyisoflavone; 8-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031556 3',4',5,7-Tetrahydroxy-3-methoxyflavone C16H12O7 316.058302 NA MeJP NA NA +MJ031557 3',4',5,7-Tetrahydroxy-6-methoxyflavone C16H12O7 316.058302 NA MeJP NA NA +MJ031558 3',4,4',5',6-Pentahydroxyaurone; 4-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031559 3',5,7,8-Tetrahydroxy-4'-methoxyflavone C16H12O7 316.058302 NA MeJP NA NA +MJ031560 3,3',4',5,7-Pentahydroxy-6-methylflavone C16H12O7 316.058302 NA MeJP NA NA +MJ031561 3,3',4',5-Tetrahydroxy-7-methoxyflavone C16H12O7 316.058302 NA MeJP NA NA +MJ031562 3,3',4',6,7-Pentahydroxyflavone; 3-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031563 3,3',4',6,7-Pentahydroxyflavone; 7-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031564 3,3',4',7,8-Pentahydroxyflavone; 3'-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031565 3,3',4',7,8-Pentahydroxyflavone; 3-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031566 3,3',4',7,8-Pentahydroxyflavone; 8-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031567 3,3',4',7-Tetrahydroxy-5-methoxyflavone C16H12O7 316.058302 NA MeJP NA NA +MJ031568 3,3',5,7-Tetrahydroxy-4'-methoxyflavone C16H12O7 316.058302 NA MeJP NA NA +MJ031569 3,4',5,6,7-Pentahydroxyflavone; 3-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031570 3,4',5,6,7-Pentahydroxyflavone; 7-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031571 3,4',5,7,8-Pentahydroxyflavone; 3-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031572 3,4',5,7,8-Pentahydroxyflavone; 4'-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031573 3,4',5,7,8-Pentahydroxyflavone; 7-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031574 3,4',5,7-Tetrahydroxy-3'-methoxyflavone C16H12O7 316.058302 NA MeJP NA NA +MJ031575 3,4',5,7-Tetrahydroxy-6-methoxyflavone C16H12O7 316.058302 NA MeJP NA NA +MJ031576 3,4',5,7-Tetrahydroxy-8-methoxyflavone C16H12O7 316.058302 NA MeJP NA NA +MJ031577 3,4',6,7-Tetrahydroxy-5-methoxyflavone C16H12O7 316.058302 NA MeJP NA NA +MJ031578 3,6a,7,8,9-Pentahydroxypterocarpan; 8,9-Methylene ether C16H12O7 316.058302 NA MeJP NA NA +MJ031579 4',5,6,7,8-Pentahydroxyflavone; 6-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031580 4',5,6,7,8-Pentahydroxyisoflavone; 8-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031581 4',5,6,7-Tetrahydroxy-3'-methoxyflavone C16H12O7 316.058302 NA MeJP NA NA +MJ031582 4',5,7,8-Tetrahydroxy-3'-methoxyflavone C16H12O7 316.058302 NA MeJP NA NA +MJ031583 4,9,11,12a-Tetrahydroxyrotenoid C16H12O7 316.058302 NA MeJP NA NA +MJ031584 5,6,7-Trihydroxy-2-(4-hydroxyphenoxy)-4-chromenone; 6-Me ether C16H12O7 316.058302 NA MeJP NA NA +MJ031585 6a,12a-Dihydro-4,9,11,12a-tetrahydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one C16H12O7 316.058302 NA MeJP NA NA +MJ031586 Crombeone C16H12O7 316.058302 NA MeJP NA NA +MJ031587 Fusidienol C16H12O7 316.058302 NA MeJP NA NA +MJ031588 Pannaric acid C16H12O7 316.058302 NA MeJP NA NA +MJ031589 Sydowinin A; 2-Hydroxy C16H12O7 316.058302 NA MeJP NA NA +MJ031590 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 5-Me ether C16H13O7(+) 316.058302 NA MeJP NA NA +MJ031591 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+) C16H13O7(+) 316.058302 NA MeJP NA NA +MetaCyc02803 3',4',5,7-tetrahydroxy-3-methoxyflavone [3-methoxy-5,7,3',4'-tetrahydroxyflavone;3-methoxyluteolin;3-O-methylquercetin;] C16H12O7 316.058303 NA metacyc NA NA +MJ031592 5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene; 2-Methylpropanoyl C17H16O2S2 316.059171 NA MeJP NA NA +MJ031593 2-Bromo-3-chloro-7(14),9-chamigradiene C15H22BrCl 316.059341 NA MeJP NA NA +MJ031594 4-Chloro-N-[(cyclohexylamino)carbonyl]benzenesulfonamide C13H17ClN2O3S 316.06484 NA MeJP NA NA +MJ031595 Verrucarin G C15H12N2O6 316.069536 NA MeJP NA NA +C17935 Cysteinyldopa C12H16N2O6S 316.0729 NA KEGG NA NA +C17936 Phaeomelanin C12H16N2O6S 316.0729 NA KEGG NA NA +C17937 Eumelanin C12H16N2O6S 316.0729 NA KEGG NA NA +MJ031596 Palmarumycin CP1 C20H12O4 316.073558 NA MeJP NA NA +C14893 2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile C20H13ClN2 316.0767 NA KEGG NA NA +MJ031597 Xanthienopyran C17H16O4S 316.076929 NA MeJP NA NA +MJ031598 1,5-Anhydroglucitol, 2-O-(3,4,5-Trihydroxybenzoyl) C13H16O9 316.079432 NA MeJP NA NA +MJ031599 1,5-Anhydroglucitol, 6-O-(3,4,5-Trihydroxybenzoyl) C13H16O9 316.079432 NA MeJP NA NA +MJ031600 2,3-Dihydroxybenzoic acid; 3-O-?-D-Glucopyranoside C13H16O9 316.079432 NA MeJP NA NA +MJ031601 2,5-Dihydroxybenzoic acid; 2-O-?-D-Glucopyranoside C13H16O9 316.079432 NA MeJP NA NA +MJ031602 2,5-Dihydroxybenzoic acid; 5-O-?-D-Glucopyranoside C13H16O9 316.079432 NA MeJP NA NA +MJ031603 3,4,5-Trihydroxybenzaldehyde; 4-O-?-D-Glucopyranoside C13H16O9 316.079432 NA MeJP NA NA +MJ031604 3,4,5-Trihydroxybenzoic acid; ?-L-Rhamnopyranosyl ester C13H16O9 316.079432 NA MeJP NA NA +MJ031605 3,4-Dihydroxybenzoic acid; 3-O-?-D-Glucopyranoside C13H16O9 316.079432 NA MeJP NA NA +MJ031606 3,4-Dihydroxybenzoic acid; 4-O-?-D-Glucopyranoside C13H16O9 316.079432 NA MeJP NA NA +MJ031607 proto-Quercitol, 1-O-(3,4,5-Trihydroxybenzoyl) C13H16O9 316.079432 NA MeJP NA NA +MJ031608 scyllo-Quercitol; 2-O-(3,4,5-Trihydroxybenzoyl) C13H16O9 316.079432 NA MeJP NA NA +MJ031609 Boxazomycin A C14H12N4O5 316.080769 NA MeJP NA NA +MJ031610 Uridine-5-acetic acid; Me ester C12H16N2O8 316.090665 NA MeJP NA NA +C11706 SC-57666 C18H17FO2S 316.0933 NA KEGG NA NA +MJ031611 1-Fluoro-4-[2-[4-(methylsulfonyl)phenyl]-1-cyclopenten-1-yl]benzene C18H17FO2S 316.093328 NA MeJP NA NA +FL1C3CNS0004 2',4',4-Trihydroxy-3',3-methoxychalcone C17H16O6 316.09468 207906-25-0 knapsack NA NA +FL1CCDNS0001 4,2',6'-Trihydroxy-3,4'-dimethoxychalcone C17H16O6 316.09468 137225-58-2 knapsack NA NA +FL1DBCNS0001 2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone C17H16O6 316.09468 121781-36-0 knapsack NA NA +FL2F3CNS0003 7,4'-Dihydroxy-8,3'-dimethoxyflavanone C17H16O6 316.09468 207906-24-9 knapsack NA NA +FL2F4ANS0001 7,8-Dihydroxy-6,4'-dimethoxyflavanone C17H16O6 316.09468 159354-98-0 knapsack NA NA +FL2FA8NS0008 5,2'-Dihydroxy-7,5'-dimethoxyflavanone C17H16O6 316.09468 625111-94-6 knapsack NA NA +FL2FA8NS0009 5,3'-Dihydroxy-7,2'-dimethoxyflavanone C17H16O6 316.09468 188440-67-7 knapsack NA NA +FL2FACNM0001 Cyrtominetin C17H16O6 316.09468 95272-99-4 knapsack NA NA +FL2FALNS0006 5,2'-Dihydroxy-7,4'-dimethoxyflavanone C17H16O6 316.09468 167319-11-1 knapsack NA NA +FL2FCDNS0001 Eriodictyol 7,3'-dimethyl ether C17H16O6 316.09468 54352-60-2 knapsack NA NA +FL2FCENS0001 Persicogenin C17H16O6 316.09468 28590-40-1 knapsack NA NA +FL2FEANS0004 5,4'-Dihydroxy-6,7-dimethoxyflavanone C17H16O6 316.09468 73328-53-7 knapsack NA NA +FL2FF8NS0001 5,7-Dihydroxy-8,2'-dimethoxyflavanone C17H16O6 316.09468 100079-33-2 knapsack NA NA +FL2FF8NS0006 5,7-Dihydroxy-8,4'-dimethoxyflavanone C17H16O6 316.09468 149155-49-7 knapsack NA NA +FL2FF8NS0007 Dihydroskullcap flavone I;5,2'-Dihydroxy-7,8-dimethoxyflavanone C17H16O6 316.09468 600734-63-2 knapsack NA NA +FL2FFANS0002 5,4'-Dihydroxy-7,8-dimethoxyflavanone C17H16O6 316.09468 75933-06-1 knapsack NA NA +FL2FG9NS0001 Didymocarpin A C17H16O6 316.09468 72061-65-5 knapsack NA NA +FL2FHYNS0001 Mosloflavanone;(S)-2,5-Dihydroxy-6,7-dimethoxyflavanone C17H16O6 316.09468 221071-95-0 knapsack NA NA +FL4D1CNS0004 Fustin 3,7-dimethyl ether C17H16O6 316.09468 110559-11-0 knapsack NA NA +FL4DABNM0001 3,5,7-Trihydroxy-4'-methoxy-6-methylflavanone C17H16O6 316.09468 163021-15-6 knapsack NA NA +FL4DBANM0001 3,7,4'-Trihydroxy-5-methoxy-6-methylflavanone C17H16O6 316.09468 78417-24-0 knapsack NA NA +FL4DCBNS0001 Aromadendrin 7,4'-dimethyl ether C17H16O6 316.09468 41515-76-8 knapsack NA NA +FL4DDANS0002 Aromadendrin 5,7-dimethyl ether C17H16O6 316.09468 37971-70-3 knapsack NA NA +FL6DPTNS0003 7-O-Methylpeltogynol C17H16O6 316.09468 53766-33-9 knapsack NA NA +FLIB1GNS0001 7,4'-Dihydroxy-3',5'-dimethoxyisoflavanone C17H16O6 316.09468 124901-97-9 knapsack NA NA +FLIB1LNS0008 Violanone;7,3'-Dihydroxy-2',4'-dimethoxyisoflavanone C17H16O6 316.09468 52250-38-1 knapsack NA NA +FLIB1LNS0009 Lespedeol C;7,4'-Dihydroxy-2',3'-dimethoxyisoflavanone C17H16O6 316.09468 79852-12-3 knapsack NA NA +FLIBALNM0001 Ougenin C17H16O6 316.09468 1236-43-7 knapsack NA NA +FLIBALNS0001 Cajanol C17H16O6 316.09468 61020-70-0 knapsack NA NA +FLIBALNS0004 Homoferreirin C17H16O6 316.09468 482-01-9 knapsack NA NA +FLIBALNS0007 7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone C17H16O6 316.09468 99965-02-3 knapsack NA NA +FLICQUNS0003 Pendulone;7-Hydroxy-3',4'-dimethoxyisoflavanquinone C17H16O6 316.09468 69359-09-7 knapsack NA NA +FLICQUNS0004 Mucroquinone;7-Hydroxy-8,4'-dimethoxyisoflavanquinone C17H16O6 316.09468 35878-40-1 knapsack NA NA +FLICUNNS0002 Lapathinol;5-Hydroxy-8-methoxy-6,7-methylenedioxyisoflavan-4-ol C17H16O6 316.09468 129724-39-6 knapsack NA NA +FLICWXNS0007 6,7,3'-Trihydroxy-2',4'-dimethoxyisoflavene C17H16O6 316.09468 84994-55-8 knapsack NA NA +FLID1LNS0001 Philenopteran;3,9-Dihydroxy-7,10-dimethoxypterocarpan C17H16O6 316.09468 22356-04-3 knapsack NA NA +FLID2CNS0002 2,8-Dihydroxy-3,9-dimethoxypterocarpan C17H16O6 316.09468 76474-65-2 knapsack NA NA +FLID2CNS0003 Mucronucarpan;2,10-Dihydroxy-3,9-dimethoxypterocarpan C17H16O6 316.09468 69743-89-1 knapsack NA NA +FLID2LNS0001 Nissolicarpin;3,7-Dihydroxy-2,9-dimethoxypterocarpan C17H16O6 316.09468 89647-64-3 knapsack NA NA +FLID3CNS0005 Melilotocarpan D;4,10-Dihydroxy-3,9-dimethoxypterocarpan C17H16O6 316.09468 83013-81-4 knapsack NA NA +FLID3CNS0006 Melilotocarpan E;4,9-Dihydroxy-3,10-dimethoxypterocarpan C17H16O6 316.09468 83013-80-3 knapsack NA NA +MJ031612 1,2,3,7-Tetrahydroxyxanthone; Tetra-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031613 1,2,6,8-Tetrahydroxyxanthone; Tetra-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031614 1,3,4,5-Tetrahydroxyxanthone; Tetra-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031615 1,3,4,7-Tetrahydroxyxanthone; Tetra-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031616 1,3,5,8-Tetrahydroxyxanthone; Tetra-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031617 1,3,6,7-Tetrahydroxyxanthone; Tetra-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031618 1,3,6,8-Tetrahydroxy-2-methylanthraquinone; 1,2-Dihydro, 6,8-di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031619 1-(4-Hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-1,3-propanedione; 4',6'-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031620 2',3',4',6,7-Pentahydroxyisoflavene; 2',4'-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031621 2',3',4',7-Tetrahydroxyisoflavanone, 2',3'-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031622 2',3',4',7-Tetrahydroxyisoflavanone, 2',4'-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031623 2',3',5,7-Tetrahydroxyflavanone, 2',7-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031624 2',3,3',4,4'-Pentahydroxychalcone, 3,3'-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031625 2',3,4,4',6'-Pentahydroxychalcone; 3,4'-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031626 2',3,4,4',6'-Pentahydroxydihydrochalcone; 2'-Me, 3,4-methylene ether C17H16O6 316.094688 NA MeJP NA NA +MJ031627 2',4',5',7-Tetrahydroxy-6-methylisoflavanone; 7-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031628 2',4',5,7-Tetrahydroxyflavanone, 4',7-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031629 2',4',5,7-Tetrahydroxyisoflavanone; 2',4'-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031630 2',4',5,7-Tetrahydroxyisoflavanone; 2',5-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031631 2',4',5,7-Tetrahydroxyisoflavanone; 2',7-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031632 2',5,5',7-Tetrahydroxyflavanone, 5',7-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031633 2',5,7,8-Tetrahydroxyflavanone, 2',8-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031634 2,3',4,4',6-Pentahydroxybenzophenone; 3',4'-Methylene, 2,4,6-tri-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031635 2,3,7,9-Tetrahydroxypterocarpan, 2,9-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031636 2,3,9,10-Tetrahydroxypterocarpan, 3,9-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031637 2,5,6,7-Tetrahydroxyflavanone, 6,7-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031638 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-(3,4-Dihydroxy-E-cinnamoyl) C17H16O6 316.094688 NA MeJP NA NA +MJ031639 2-Formyl-2',3,3',5-tetrahydroxy-5'-methylbenzophenone; 3,3'-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031640 3',4',5',7-Tetrahydroxyisoflavanone; 3',5'-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031641 3',4',5,7-Tetrahydroxy-6,8-dimethylflavanone C17H16O6 316.094688 NA MeJP NA NA +MJ031642 3',4',5,7-Tetrahydroxyflavanone, 3',4'-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031643 3',4',5,7-Tetrahydroxyflavanone, 3',7-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031644 3',4',5,7-Tetrahydroxyflavanone, 4',7-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031645 3',4',7,8-Tetrahydroxyflavanone, 3',8-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031646 3,3',4',7-Tetrahydroxyflavanone, 3,7-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031647 3,4',5,7-Tetrahydroxy-6-methylflavanone, 4'-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031648 3,4',5,7-Tetrahydroxy-6-methylflavanone, 5-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031649 3,4',5,7-Tetrahydroxyflavanone, 4',7-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031650 3,4',5,7-Tetrahydroxyflavanone, 5,7-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031651 3,4,7,9-Tetrahydroxy-1-methyl-6H-dibenzo[b,d]pyran-6-one; 3,7,9-Tri-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031652 3,4,8,9-Tetrahydroxypterocarpan, 3,8-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031653 3,4,9,10-Tetrahydroxypterocarpan; 3,10-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031654 3,4,9,10-Tetrahydroxypterocarpan; 3,9-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031655 3,5,7,8-Tetrahydroxyflavanone, 5,8-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031656 3,5,7-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 4'-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031657 3,7,8,10-Tetrahydroxypterocarpan, 7,8-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031658 3,7,9,10-Tetrahydroxypterocarpan; 7,10-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031659 3,7,9,10-Tetrahydroxypterocarpan; 7,9-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031660 3-(3,4-Dihydroxybenzyl)-5,7-dihydroxy-4-chromanone; 4'-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031661 3-(3,4-Dihydroxybenzyl)-5,7-dihydroxy-4-chromanone; 5-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031662 3-Hydroxydehydroiso-?-lapachone, 5,6-Dimethoxy C17H16O6 316.094688 NA MeJP NA NA +MJ031663 4',5,6,7-Tetrahydroxyflavanone, 6,7-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031664 4',5,7,8-Tetrahydroxyflavanone, 4',8-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031665 4',5,7,8-Tetrahydroxyflavanone, 7,8-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031666 4',6,7,8-Tetrahydroxyflavanone; 4',6-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031667 4-Hydroxy-3,4'-oxybisbenzoic acid; Me ether, di-Me ester C17H16O6 316.094688 NA MeJP NA NA +MJ031668 5,6,7,8-Tetrahydroxyflavanone, 6,7-Di-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031669 5,6,7-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 6-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031670 5,7,8-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone; 7-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031671 5,7,8-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone; 8-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031672 6-Methoxy-5-(3-methyl-2-butenyl)-2H-furo[2,3-h][1]benzopyran-2-one; 2',3'-Dihydro, 2'-oxo, 3'-hydroxy C17H16O6 316.094688 NA MeJP NA NA +MJ031673 8-(1-Hydroxy-2-oxo-3-methylbutyl)-7-methoxy-2H-1-benzopyran-2-one, 3',4'-Didehydro, O-Ac C17H16O6 316.094688 NA MeJP NA NA +MJ031674 8-(2-Acetoxy-3-methyl-1-oxo-2-butenyl)-7-methoxy-2H-1-benzopyran-2-one C17H16O6 316.094688 NA MeJP NA NA +MJ031675 Aloesaponol I C17H16O6 316.094688 NA MeJP NA NA +MJ031676 Astragaluquinone C17H16O6 316.094688 NA MeJP NA NA +MJ031677 Athrotaxin C17H16O6 316.094688 NA MeJP NA NA +MJ031678 Byakangelicin, 3'-Deoxy, 2'-ketone C17H16O6 316.094688 NA MeJP NA NA +MJ031679 Byakangelicol C17H16O6 316.094688 NA MeJP NA NA +MJ031680 Cynanchone Ay C17H16O6 316.094688 NA MeJP NA NA +MJ031681 Eucomol C17H16O6 316.094688 NA MeJP NA NA +MJ031682 Isobyakangelicin, 3'-Deoxy, 3',4'-didehydro C17H16O6 316.094688 NA MeJP NA NA +MJ031683 Lapathinol C17H16O6 316.094688 NA MeJP NA NA +MJ031684 Mucroquinone C17H16O6 316.094688 NA MeJP NA NA +MJ031685 Murrangatin, 1'-Ketone, 2'-Ac C17H16O6 316.094688 NA MeJP NA NA +MJ031686 Nanaomycin A; Me ester C17H16O6 316.094688 NA MeJP NA NA +MJ031687 Olivin C17H16O6 316.094688 NA MeJP NA NA +MJ031688 Peltogynol, 7-Me ether C17H16O6 316.094688 NA MeJP NA NA +MJ031689 Pendulone C17H16O6 316.094688 NA MeJP NA NA +MJ031690 Phellopterin; ?3'-Isomer, 2'-hydroxy C17H16O6 316.094688 NA MeJP NA NA +MetaCyc02804 homoferreirin [] C17H16O6 316.094688 NA metacyc NA NA +C10204 Cajanol C17H16O6 316.0947 NA KEGG NA NA +C10457 Homoferreirin C17H16O6 316.0947 NA KEGG NA NA +C14969 2,3-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1- C17H16O6 316.0947 NA KEGG NA NA +C16914 Isobyakangelicol C17H16O6 316.0947 NA KEGG NA NA +C16925 Byakangelicol C17H16O6 316.0947 NA KEGG NA NA +C17126 Neobyakangelicol C17H16O6 316.0947 NA KEGG NA NA +MJ031691 4-Hydroxy-?-snyderol C15H25BrO2 316.103792 NA MeJP NA NA +MJ031692 Caribbazoin A C16H16N2O5 316.105921 NA MeJP NA NA +MJ031693 Heptelidic acid chlorohydrin C15H21ClO5 316.107751 NA MeJP NA NA +MJ031694 Dinaphthimine C15H17N4O2P 316.108912 NA MeJP NA NA +MJ031695 Antibiotic 17927D C13H20N2O5S 316.109292 NA MeJP NA NA +MJ031696 Antibiotic KPN C13H20N2O5S 316.109292 NA MeJP NA NA +MJ031697 2,8-Dimethoxy-9-phenyl-3H-benz[e]inden-3-one C21H16O3 316.109944 NA MeJP NA NA +MJ031698 7,8-Dihydroxy-6-phenyl-1H-phenalen-1-one; Di-Me ether C21H16O3 316.109944 NA MeJP NA NA +MJ031699 Chaetantherol; 3-Methyl-2-butenoyl C18H20O3S 316.113315 NA MeJP NA NA +MJ031700 1,2,4-Benzenetriol; 1,2-Di-Me ether, 4-O-?-D-glucopyranoside C14H20O8 316.115817 NA MeJP NA NA +MJ031701 1,3,5-Benzenetriol; O-?-Glucopyranoside, di-Me ether C14H20O8 316.115817 NA MeJP NA NA +MJ031702 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-?-D-Allopyranoside C14H20O8 316.115817 NA MeJP NA NA +MJ031703 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-?-D-Glucopyranoside C14H20O8 316.115817 NA MeJP NA NA +MJ031704 2-(3,4-Dihydroxyphenyl)ethanol; 3'-O-?-D-Galactopyranoside C14H20O8 316.115817 NA MeJP NA NA +MJ031705 2-(3,4-Dihydroxyphenyl)ethanol; 3'-O-?-D-Glucopyranoside C14H20O8 316.115817 NA MeJP NA NA +MJ031706 2-(3,4-Dihydroxyphenyl)ethanol; 4'-O-?-D-Glucopyranoside C14H20O8 316.115817 NA MeJP NA NA +MJ031707 3,3a,7,7a-Tetrahydro-6-hydroxy-2(6H)-benzofuranone, O-?-D-Glucopyranoside C14H20O8 316.115817 NA MeJP NA NA +MJ031708 3,4-Dihydroxybenzyl alcohol; 3-Me ether, 4-O-?-D-glucopyranoside C14H20O8 316.115817 NA MeJP NA NA +MJ031709 4-Hydroxy-2-isopropylidene-5-methyl-3(2H)-furanone; O-?-D-Glucopyranoside C14H20O8 316.115817 NA MeJP NA NA +MJ031710 4-Hydroxy-4-(2-hydroxyethyl)-2,5-cyclohexadien-1-one; 2'-O-?-D-Glucopyranoside C14H20O8 316.115817 NA MeJP NA NA +MJ031711 Aquilegiolide; 4,5-Dihydro, O-?-D-glucopyranoside C14H20O8 316.115817 NA MeJP NA NA +MJ031712 Aquilegiolide; 6-Epimer, 4,5-dihydro, O-?-D-glucopyranoside C14H20O8 316.115817 NA MeJP NA NA +MJ031713 Aquilegiolide; 7a-Epimer, 4,5-dihydro, O-?-D-glucopyranoside C14H20O8 316.115817 NA MeJP NA NA +MJ031714 Ticarbodine C15H19F3N2S 316.122103 NA MeJP NA NA +MJ031715 N,N'-Bis(4-hydroxyphenyl)thiourea; Di-Et ether C17H20N2O2S 316.124548 NA MeJP NA NA +MJ031716 Tinoridine C17H20N2O2S 316.124548 NA MeJP NA NA +MJ031717 Mycosporin glutamicol; 5'-Carboxylic acid, 1'-amide C13H20N2O7 316.127051 NA MeJP NA NA +FL1DCANM0002 4,2',6'-Trihydroxy-4'-methoxy-3',5'-dimethyldihydrochalcone C18H20O5 316.13107 97208-71-4 knapsack NA NA +FL1DDBNS0001 Flavokawin A;Flavokawine A;2'-Hydroxy-4,4',6'-trimethoxydihydrochalcone C18H20O5 316.13107 3791-75-1 knapsack NA NA +FL1DE9NS0004 2'-Hydroxy-3',4',6'-trimethoxydihydrochalcone C18H20O5 316.13107 - knapsack NA NA +FL1DHXNS0001 O-Methylodoratol C18H20O5 316.13107 94943-13-2 knapsack NA NA +FL1DRTNS0005 Loureirin B C18H20O5 316.13107 119425-90-0 knapsack NA NA +FL1DRTNS0010 2-Hydroxy-3,4,6-trimethoxydihydrochalcone C18H20O5 316.13107 279219-89-5 knapsack NA NA +FL1DRTNS0011 2-Hydroxy-4,5,6-trimethoxydihydrochalcone C18H20O5 316.13107 209861-22-3 knapsack NA NA +FL64DBNS0001 4-Hydroxy-5,7,4'-trimethoxyflavan C18H20O5 316.13107 5188-72-7 knapsack NA NA +FL6FA9NS0003 2-(3,5-Dimethoxyphenyl)-3,4-dihydro-7-methoxy-2H-1-benzopyran-5-ol C18H20O5 316.13107 307492-73-5 knapsack NA NA +FL6FDDNS0001 (2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan;(S)-4-(3,4-Dihydro-5,7-dimethoxy-2H-1-benzopyran-2-yl)-2-methoxyphenol C18H20O5 316.13107 185146-55-8 knapsack NA NA +FLNC4ANS0001 Kuhlmanniquinol;(R)-5,4'-Dihydroxy-2,3,4-trimethoxydalbergiquinol C18H20O5 316.13107 21044-87-1 knapsack NA NA +MJ031718 1-(2,4-Dihydroxy-3,5-dimethylphenyl)-3-(2,4,5-trihydroxyphenyl)propane; 4'',5''-Methylene ether C18H20O5 316.131073 NA MeJP NA NA +MJ031719 1-(2,4-Dihydroxy-3-methylphenyl)-3-(2,4,5-trihydroxyphenyl)propane; 2''-Me, 4'',5''-methylene ether C18H20O5 316.131073 NA MeJP NA NA +MJ031720 1-(2,4-Dihydroxy-5-methylphenyl)-3-(2,4,5-trihydroxyphenyl)propane; 4'-Me, 3'',4''-methylene ether C18H20O5 316.131073 NA MeJP NA NA +MJ031721 1-(2,4-Dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)-1-propanone, 2',4,4'-Tri-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031722 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, 3,',3'',4',4''-Tetra-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031723 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, 3'',4',4'',5''-Tetra-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031724 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, 3,'3'',4',4''-Tetra-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031725 1-(3,4-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)propane; 2',4'-Di-Me, 3'',4''-methylene ether C18H20O5 316.131073 NA MeJP NA NA +MJ031726 1-(4-Hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-1-propanone; 2'',4'',6''-Tri-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031727 1-Phenyl-3-(2,3,4,6-tetrahydroxyphenyl)-1-propanone; 2,3,4-Tri-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031728 1-Phenyl-3-(2,3,4,6-tetrahydroxyphenyl)-1-propanone; 3,4,6-Tri-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031729 2',3',4',7-Tetrahydroxyisoflavan, 2',3',4'-Tri-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031730 2',3',4',7-Tetrahydroxyisoflavan, 3',4',7-Tri-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031731 2',4',5',7-Tetrahydroxyisoflavan, 2',4',5'-Tri-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031732 2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 2,3,4,6-tetra-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031733 2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 2,4,6,7-tetra-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031734 2-Acetyl-5-(1-hydroxyethyl)-6-methoxybenzofuran; 3-Methyl-2-butenoyl C18H20O5 316.131073 NA MeJP NA NA +MJ031735 2-Acetyl-5-(1-hydroxyethyl)-6-methoxybenzofuran; Angeloyl C18H20O5 316.131073 NA MeJP NA NA +MJ031736 3',4',5',7-Tetrahydroxyflavan; 3',4',7-Tri-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031737 3',4',5,7-Tetrahydroxyflavan, 3',5,7-Tri-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031738 3',5,5',7-Tetrahydroxyflavan; 3',5',7-Tri-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031739 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-propanone; 4'-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031740 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2',4,4'-Tri-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031741 3-Phenyl-1-(2,3,4,6-tetrahydroxyphenyl)-1-propanone; 3',4',6'-Tri-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031742 4,4',5,7-Tetrahydroxyflavan, 4',5,7-Tri-Me ether C18H20O5 316.131073 NA MeJP NA NA +MJ031743 5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 3-O-Angeloyl C18H20O5 316.131073 NA MeJP NA NA +MJ031744 5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 3-O-Tigloyl C18H20O5 316.131073 NA MeJP NA NA +MJ031745 5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 3-O-Angeloyl C18H20O5 316.131073 NA MeJP NA NA +MJ031746 5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 3-O-(3-Methyl-2-butenoyl) C18H20O5 316.131073 NA MeJP NA NA +MJ031747 5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 3-O-Angeloyl C18H20O5 316.131073 NA MeJP NA NA +MJ031748 5-Acetyl-2,3-dihydro-3-hydroxy-2-[1-(hydroxymethyl)ethenyl]benzofuran, 3-O-Angeloyl C18H20O5 316.131073 NA MeJP NA NA +MJ031749 9-Methyllongipesin; 9-O-Ac C18H20O5 316.131073 NA MeJP NA NA +MJ031750 Arnebifuranone C18H20O5 316.131073 NA MeJP NA NA +MJ031751 Auxemin C18H20O5 316.131073 NA MeJP NA NA +MJ031752 Deacetylshikonofuran A; 11-Ac C18H20O5 316.131073 NA MeJP NA NA +MJ031753 Dihydrooroselol, O-(2-Methylpropanoyl) C18H20O5 316.131073 NA MeJP NA NA +MJ031754 Kuhlmanniquinol C18H20O5 316.131073 NA MeJP NA NA +MJ031755 Laurycolactone A; 5,6-Didehydro C18H20O5 316.131073 NA MeJP NA NA +MJ031756 Lentinellic acid C18H20O5 316.131073 NA MeJP NA NA +MJ031757 Longipesin; 9-O-Propanoyl C18H20O5 316.131073 NA MeJP NA NA +MJ031758 Magnolignan B C18H20O5 316.131073 NA MeJP NA NA +MJ031759 Monochaetin C18H20O5 316.131073 NA MeJP NA NA +MJ031760 Nordinone; 4,5,8,9-Tetradehydro C18H20O5 316.131073 NA MeJP NA NA +MJ031761 Petrostyrene C18H20O5 316.131073 NA MeJP NA NA +MJ031762 Salignone D C18H20O5 316.131073 NA MeJP NA NA +MJ031763 Sorgolactone C18H20O5 316.131073 NA MeJP NA NA +MJ031764 Trypethelone; 7-Me ether, 8-methoxy C18H20O5 316.131073 NA MeJP NA NA +MJ031765 Zearalenone, 7',8'-Didehydro (E-) C18H20O5 316.131073 NA MeJP NA NA +C09186 Sorgolactone C18H20O5 316.1311 NA KEGG NA NA +C09774 2'-O-Methylodoratol C18H20O5 316.1311 NA KEGG NA NA +MJ031766 Antibiotic CB 25-I C12H20N4O6 316.138284 NA MeJP NA NA +PJ000268 SPN C12H20N4O6 316.1383 NA PeJP NA NA +MJ031767 Pseudophryne Alkaloid 330; O6-De-Me C17H20N2O4 316.142307 NA MeJP NA NA +MJ031768 Tetrahydrocantleyine; O-(3-Pyridinecarboxylate) C17H20N2O4 316.142307 NA MeJP NA NA +MJ031769 Prifelone C19H24O2S 316.1497 NA MeJP NA NA +3270 NA KDQDK 316.1499 MH2+ Inhouse_peptide NA peptide +3654 NA DETRL 316.15045 MH2+ Inhouse_peptide NA peptide +MJ031770 Fluprazine C14H19F3N4O 316.151095 NA MeJP NA NA +MJ031771 10-Hydroxy-8-nor-2-fenchanone; O-?-D-Glucopyranoside C15H24O7 316.152203 NA MeJP NA NA +MJ031772 2,6-Dimethyl-2,5-heptadienoic acid, ?-D-Glucopyranosyl ester C15H24O7 316.152203 NA MeJP NA NA +MJ031773 4-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one, O-?-D-Glucopyranoside C15H24O7 316.152203 NA MeJP NA NA +MJ031774 6-Hydroxy-2,6-dimethyl-2,7-octadienoic acid, ?-L-Arabinopyranoside C15H24O7 316.152203 NA MeJP NA NA +MJ031775 2-[2-[(6-Methoxy-3-methyl-1H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol C16H20N4O3 316.15354 NA MeJP NA NA +C10732 O-Methylptelefolonium C18H22NO4 316.1549 NA KEGG NA NA +C07141 Timolol C13H24N4O3S 316.1569 NA KEGG NA NA +MJ031776 Timolol C13H24N4O3S 316.156911 NA MeJP NA NA +MJ031777 Tomoxiprole C21H20N2O 316.157563 NA MeJP NA NA +MJ031778 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 5-fluoro-1-methyl-1H-indole-3-carboxylate C18H21FN2O2 316.158706 NA MeJP NA NA +MJ031779 3-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-cyano-2-propenethioamide C18H24N2OS 316.160934 NA MeJP NA NA +MJ031780 Suloxifen C18H24N2OS 316.160934 NA MeJP NA NA +MJ031781 1,10-Epoxyfuranoeremophilan-6-ol, O-(2-Methylpropenoyl) C19H24O4 316.167459 NA MeJP NA NA +MJ031782 11,12,16-Trihydroxy-20-nor-5(10),8,11,13-abietatetraen-1-one; 15R-form C19H24O4 316.167459 NA MeJP NA NA +MJ031783 12-Hydroxy-7-oxo-14-nor-4-isocedren-15-al; Tigloyl C19H24O4 316.167459 NA MeJP NA NA +MJ031784 15,16-Epoxy-19-nor-2-oxo-13(16),14-clerodadien-20,12-olide C19H24O4 316.167459 NA MeJP NA NA +MJ031785 2,4-Dihydroxy-6-(5,7-dimethyl-2-oxo-3,5-nonadienyl)-3-methylbenzaldehyde C19H24O4 316.167459 NA MeJP NA NA +MJ031786 2-Bornanol, O-(4-Acetoxybenzoyl) C19H24O4 316.167459 NA MeJP NA NA +MJ031787 3,12,13-Trihydroxy-8,11,13-podocarpatrien-7-one, 3-Ketone, di-Me ether C19H24O4 316.167459 NA MeJP NA NA +MJ031788 3,3',4,4'-Tetrahydroxylignan, 3-Me ether C19H24O4 316.167459 NA MeJP NA NA +MJ031789 3,3',4,4'-Tetrahydroxylignan, 4-Me ether C19H24O4 316.167459 NA MeJP NA NA +MJ031790 3,7-Dimethyl-2,4,6-octatrien-1-ol, 3,4-Dimethoxybenzoyl C19H24O4 316.167459 NA MeJP NA NA +MJ031791 3-(10-Hydroxygeranyl)-p-coumaric acid C19H24O4 316.167459 NA MeJP NA NA +MJ031792 3-(4-Hydroxygeranyl)-p-coumaric acid C19H24O4 316.167459 NA MeJP NA NA +MJ031793 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 2-Methylpropanoyl C19H24O4 316.167459 NA MeJP NA NA +MJ031794 3-Hydroxyfuranoeremophilan-9-one, 2-Methylpropenoyl C19H24O4 316.167459 NA MeJP NA NA +MJ031795 3-[2,2-Dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-2-propenoic acid, 3,4-Dihydro, 3?-hydroxy C19H24O4 316.167459 NA MeJP NA NA +MJ031796 3-[2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7-(3-methyl-2-butenyl)-5-benzofuranyl]-2-propenoic acid C19H24O4 316.167459 NA MeJP NA NA +MJ031797 4,15-Epoxyfuranoeremophil-1(10)-en-6-ol, 6-(2-Methylpropanoyl) C19H24O4 316.167459 NA MeJP NA NA +MJ031798 4-Hydroxy-3,5-diprenylcinnamic acid, 5''-Hydroxy C19H24O4 316.167459 NA MeJP NA NA +MJ031799 4-Hydroxy-3-(4-hydroxy-3-methyl-2-butenyl)acetophenone, 4'-Me ether, 4''-angeloyl C19H24O4 316.167459 NA MeJP NA NA +MJ031800 6,15-Epoxyfuranoeremophilan-3-ol, O(-2-Methyl-2-propenoyl) C19H24O4 316.167459 NA MeJP NA NA +MJ031801 6-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 2-Methylpropanoyl C19H24O4 316.167459 NA MeJP NA NA +MJ031802 6-Hydroxyfuranoeremophil-1(10)-en-9-one, O-(2-Methylpropanoyl) C19H24O4 316.167459 NA MeJP NA NA +MJ031803 6-Hydroxyfuranoeremophil-1-en-9-one, O-(2-Methylpropanoyl) C19H24O4 316.167459 NA MeJP NA NA +MJ031804 6-Hydroxyfuranoeremophil-9-en-1-one, 2-Methylpropanoyl C19H24O4 316.167459 NA MeJP NA NA +MJ031805 6-Hydroxyfuranoeremophil-9-en-1-one; 6?-form, 2-Methylpropanoyl C19H24O4 316.167459 NA MeJP NA NA +MJ031806 6-Hydroxyfuranoeremophilan-9-one, O-(2-Methyl-2-propenoyl) C19H24O4 316.167459 NA MeJP NA NA +MJ031807 7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(3,7-Dimethyl-2E-octenyl) C19H24O4 316.167459 NA MeJP NA NA +MJ031808 8,14-Pentadecadiene-4,6-diyne-3,10-diol, Di-Ac C19H24O4 316.167459 NA MeJP NA NA +MJ031809 8-Acetyl-5,7-dihydroxy-2,2-dimethyl-6-(3-methyl-2-butenyl)-2H-1-benzopyran; 5-Me ether C19H24O4 316.167459 NA MeJP NA NA +MJ031810 Artepillin A C19H24O4 316.167459 NA MeJP NA NA +MJ031811 Cryptofolione; 7',8'-Dihydro C19H24O4 316.167459 NA MeJP NA NA +MJ031812 Encecalinol; Angeloyl C19H24O4 316.167459 NA MeJP NA NA +MJ031813 Ethuliaconyzophenone C19H24O4 316.167459 NA MeJP NA NA +MJ031814 Ethuliconyzone C19H24O4 316.167459 NA MeJP NA NA +MJ031815 Franklinol C19H24O4 316.167459 NA MeJP NA NA +MJ031816 Furanoeremophil-1(10)-ene-6,9-diol, 6-(2-Methylpropenoyl) C19H24O4 316.167459 NA MeJP NA NA +MJ031817 Gaultheric acid C19H24O4 316.167459 NA MeJP NA NA +MJ031818 Gibberellin A9 C19H24O4 316.167459 NA MeJP NA NA +MJ031819 Hannokinol C19H24O4 316.167459 NA MeJP NA NA +MJ031820 Nagilactone F C19H24O4 316.167459 NA MeJP NA NA +MJ031821 Perrottetin B; 1',2'-Dihydro C19H24O4 316.167459 NA MeJP NA NA +MJ031822 p-Menth-8-en-7-ol, 3,4-Dihydroxycinnamoyl(E-) C19H24O4 316.167459 NA MeJP NA NA +MetaCyc02805 3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione [4-[2-(2,3-dihydroxy-6-methyl-phenyl)ethyl]-7a-methyl-3,3a,4,6,7, 7a-hexahydro-2H-indene-1,5-dione;] C19H24O4 316.167459 NA metacyc NA NA +MetaCyc02806 GA9 [gibberellin A9;gibberellin A9;GA9;] C19H24O4 316.167459 NA metacyc NA NA +MetaCyc02807 C19 skeleton [C19-GA skeleton;C19-gibberellin skeleton;closed lactone gibberellin skeleton;C19-GAs;C19-GAs;] C19H24O4 316.167459 NA metacyc NA NA +C04793 3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione C19H24O4 316.1675 NA KEGG NA NA +C11863 Gibberellin A9 C19H24O4 316.1675 NA KEGG NA NA +C14347 Bisphenol A bis(2-hydroxyethyl)ether C19H24O4 316.1675 NA KEGG NA NA +C14946 1-Dehydro-15alpha-hydroxytestololactone C19H24O4 316.1675 NA KEGG NA NA +C15456 11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, C19H24O4 316.1675 NA KEGG NA NA +C17789 Capillartemisin A C19H24O4 316.1675 NA KEGG NA NA +C17795 Capillartemisin B C19H24O4 316.1675 NA KEGG NA NA +C07982 Imipramine hydrochloride C19H24N2 316.1706 NA KEGG NA NA +C07983 Transferred to D00816 C19H24N2 316.1706 NA KEGG NA NA +C07984 Transferred to D00817 C19H24N2 316.1706 NA KEGG NA NA +C07985 Transferred to D00818 C19H24N2 316.1706 NA KEGG NA NA +C07986 Transferred to D00819 C19H24N2 316.1706 NA KEGG NA NA +C07987 Transferred to D00820 C19H24N2 316.1706 NA KEGG NA NA +C07988 Transferred to D00821 C19H24N2 316.1706 NA KEGG NA NA +C07989 Transferred to D00822 C19H24N2 316.1706 NA KEGG NA NA +C07990 Transferred to D00823 C19H24N2 316.1706 NA KEGG NA NA +C07991 Transferred to D00824 C19H24N2 316.1706 NA KEGG NA NA +C07992 Transferred to D05374 C19H24N2 316.1706 NA KEGG NA NA +C07993 Transferred to D00825 C19H24N2 316.1706 NA KEGG NA NA +C07994 Transferred to D00826 C19H24N2 316.1706 NA KEGG NA NA +PJ000269 GLQ C13H24N4O5 316.1747 NA PeJP NA NA +MJ031823 1,4-Butanediamine; N-Cinnamoyl(E-), N'-(3-hydroxy-2-methylenebutanoyl) C18H24N2O3 316.178692 NA MeJP NA NA +MJ031824 6-[(3,5-Dimethylphenyl)methyl]-1-(ethoxymethyl)-5-ethyl-2,4(1H,3H)-pyrimidinedione C18H24N2O3 316.178692 NA MeJP NA NA +MJ031825 7-(Diethylamino)-4-hydroxy-6-propyl-3-quinolinecarboxylic acid; Me ester C18H24N2O3 316.178692 NA MeJP NA NA +MJ031826 Elliptinol C18H24N2O3 316.178692 NA MeJP NA NA +MJ031827 Julocrotine C18H24N2O3 316.178692 NA MeJP NA NA +MJ031828 Odorine, 2-Hydroxy C18H24N2O3 316.178692 NA MeJP NA NA +MJ031829 Pseudophrynaminol, ar-Methoxy, 4'-carboxylic acid, Me ester C18H24N2O3 316.178692 NA MeJP NA NA +PJ000270 AAR C12H24N6O4 316.1859 NA PeJP NA NA +MJ031830 3,7-Dimethyl-1,6-octadien-3-ol, O-?-D-Glucopyranoside C16H28O6 316.188588 NA MeJP NA NA +MJ031831 3,7-Dimethyl-1,6-octadien-3-ol, 3-O-?-D-Glucopyranoside C16H28O6 316.188588 NA MeJP NA NA +MJ031832 3,7-Dimethyl-2,6-octadien-1-ol, O-?-D-Glucopyranoside C16H28O6 316.188588 NA MeJP NA NA +MJ031833 3-Thujanol, O-?-D-Glucopyranoside C16H28O6 316.188588 NA MeJP NA NA +MJ031834 p-Menth-1-en-8-ol, O-?-D-Glucopyranoside C16H28O6 316.188588 NA MeJP NA NA +MJ031835 p-Menth-8-en-2-ol, O-?-D-Glucopyranoside C16H28O6 316.188588 NA MeJP NA NA +MJ031836 p-Menth-8-en-7-ol, 7-O-?-D-Glucopyranoside C16H28O6 316.188588 NA MeJP NA NA +MJ031837 Pipequaline C22H24N2 316.193948 NA MeJP NA NA +EUR160 15-deoxy-prostaglandinJ2 C20H28O3 316.2038 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR160 15-deoxy-prostaglandinJ2 C20H28O3 316.2038 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR160 15-deoxy-prostaglandinJ2 C20H28O3 316.2038 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR160 15-deoxy-prostaglandinJ2 C20H28O3 316.2038 Wishlist Inhousejuil11 NA NA +C06093 Gibberellin A12 aldehyde C20H28O3 316.2038 NA KEGG NA NA +C09066 Cafestol C20H28O3 316.2038 NA KEGG NA NA +C09163 Pisiferic acid C20H28O3 316.2038 NA KEGG NA NA +C09182 Royleanone C20H28O3 316.2038 NA KEGG NA NA +C09196 Taxodone C20H28O3 316.2038 NA KEGG NA NA +C09706 Petasin C20H28O3 316.2038 NA KEGG NA NA +C09845 Cinerin I C20H28O3 316.2038 NA KEGG NA NA +C14242 Mytatrienediol C20H28O3 316.2038 NA KEGG NA NA +C14615 17beta-Hydroxy-17-methylandrost-4-ene-3,11-dione C20H28O3 316.2038 NA KEGG NA NA +C14717 15-Deoxy-delta-12,14-PGJ2 C20H28O3 316.2038 NA KEGG NA NA +C14887 11alpha,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-one C20H28O3 316.2038 NA KEGG NA NA +C15126 2,17beta-Dihydroxy-17-methylandrosta-1,4-dien-3-one C20H28O3 316.2038 NA KEGG NA NA +C15192 9beta,11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one C20H28O3 316.2038 NA KEGG NA NA +C15282 17beta-Hydroxyestr-5(10)-en-3-one acetate C20H28O3 316.2038 NA KEGG NA NA +C15287 11beta,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-one C20H28O3 316.2038 NA KEGG NA NA +C16677 all-trans-4-Hydroxyretinoic acid C20H28O3 316.2038 NA KEGG NA NA +C16679 all-trans-18-Hydroxyretinoic acid C20H28O3 316.2038 NA KEGG NA NA +C16680 all-trans-5,6-Epoxyretinoic acid C20H28O3 316.2038 NA KEGG NA NA +C18016 3beta-Hydroxy-9beta-pimara-7,15-diene-19,6beta-olide C20H28O3 316.2038 NA KEGG NA NA +HMDB05079 15-deoxy-delta-12,14-PGJ2 C20H28O3 316.20383 http://www.hmdb.ca/metabolites/HMDB05079 PFEM_hmdb_metabocards_urine NA urine +HMDB05079 15-deoxy-delta-12,14-PGJ2 C20H28O3 316.20383 http://www.hmdb.ca/metabolites/HMDB05079 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB05079 15-deoxy-delta-12,14-PGJ2 C20H28O3 316.20383 http://www.hmdb.ca/metabolites/HMDB05079 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00344 2-Methoxyestradiol-3-methylether C20H28O3 316.20383 http://www.hmdb.ca/metabolites/HMDB00344 HMDB NA NA +HMDB05079 15-deoxy-delta-12,14-PGJ2 C20H28O3 316.20383 http://www.hmdb.ca/metabolites/HMDB05079 HMDB NA NA +HMDB05832 6b-Hydroxymethandienone C20H28O3 316.20383 http://www.hmdb.ca/metabolites/HMDB05832 HMDB NA NA +HMDB06254 4-Hydroxyretinoic acid C20H28O3 316.20383 http://www.hmdb.ca/metabolites/HMDB06254 HMDB NA NA +HMDB00344 2-Methoxyestradiol-3-methylether C20H28O3 316.20383 HMDB00344 PFEM_hmdb_metabocards_official NA NA +HMDB05079 15-deoxy-delta-12,14-PGJ2 C20H28O3 316.20383 HMDB05079 PFEM_hmdb_metabocards_official NA NA +HMDB05832 6b-Hydroxymethandienone C20H28O3 316.20383 HMDB05832 PFEM_hmdb_metabocards_official NA NA +HMDB06254 4-Hydroxyretinoic acid C20H28O3 316.20383 HMDB06254 PFEM_hmdb_metabocards_official NA NA +MJ031838 1,3,5,10-Bisabolatetraene-1,2-diol; 1-(3-Methyl-2-butenoyl) C20H28O3 316.203844 NA MeJP NA NA +MJ031839 1,3,5,10-Bisabolatetraene-1,2-diol; 2-(3-Methyl-2-butenoyl) C20H28O3 316.203844 NA MeJP NA NA +MJ031840 1,3-Dihydroxy-12,15-cassadien-11-one, 3-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031841 1-Hydroxy-7(11),9-eremophiladien-8-one, 1-(3-Methyl-2-butenoyl) C20H28O3 316.203844 NA MeJP NA NA +MJ031842 1-Hydroxy-7(11),9-eremophiladien-8-one, 1-Angeloyl C20H28O3 316.203844 NA MeJP NA NA +MJ031843 1-Silphinene-3,5-diol; 3-Ketone, 5-angeloyl C20H28O3 316.203844 NA MeJP NA NA +MJ031844 10-Hydroxy-2-africanen-4-one; 10?-form, Angeloyl C20H28O3 316.203844 NA MeJP NA NA +MJ031845 10-Hydroxy-3-longipinen-5-one; 10?-form, Tigloyl C20H28O3 316.203844 NA MeJP NA NA +MJ031846 11,12-Epoxy-1(15),3,7-cembratrien-16,2-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031847 11,12-Epoxy-3,7,15(17)-cembratrien-16,14-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031848 11,14-Dihydroxy-8,11,13-abietatrien-7-one C20H28O3 316.203844 NA MeJP NA NA +MJ031849 11,14-Epoxy-4,8(17)-briaradien-18,7-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031850 11,15-Epoxy-15-hydroxy-4(18),12-clerodadien-16-al, 15-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031851 11-Oxo-12,14-mulinadien-20-oic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031852 11-Oxo-19-trachylobanoic acid; ent-form C20H28O3 316.203844 NA MeJP NA NA +MJ031853 12,13-Dihydroxy-8,11,13-totaratrien-7-one C20H28O3 316.203844 NA MeJP NA NA +MJ031854 12,15-Dihydroxy-8,11,13-abietatrien-7-one C20H28O3 316.203844 NA MeJP NA NA +MJ031855 12,19-Dihydroxy-8,11,13-abietatrien-3-one C20H28O3 316.203844 NA MeJP NA NA +MJ031856 12-Hydroxy-6,7-seco-8,11,13-abietatriene-6,7-dial C20H28O3 316.203844 NA MeJP NA NA +MJ031857 12-Hydroxy-8,12-abietadiene-11,14-dione C20H28O3 316.203844 NA MeJP NA NA +MJ031858 12-Hydroxy-8,15-isopimaradiene-7,11-dione; 12?-form C20H28O3 316.203844 NA MeJP NA NA +MJ031859 12-Hydroxy-9(11),16-kauradien-19-oic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031860 12-Hydroxymethyl-3-oxo-16-nor-8(14)-pimarene-15,21-carbolactone C20H28O3 316.203844 NA MeJP NA NA +MJ031861 13(16),14-Spongiadien-19-al; 19-Carboxylic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031862 13,16-Epoxy-3,14-clerodadien-18,19-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031863 13,16-Epoxy-7,13(16),14-labdatrien-19-oic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031864 13-Hydroxy-16-atisene-3,14-dione C20H28O3 316.203844 NA MeJP NA NA +MJ031865 13-Hydroxy-8,11,13-totaratriene-1,3-dione; 3?-Alcohol C20H28O3 316.203844 NA MeJP NA NA +MJ031866 13-Hydroxy-9(11),16-kauradien-19-oic acid; ent-form C20H28O3 316.203844 NA MeJP NA NA +MJ031867 14,19-Dihydroxy-8,11,13-abietatrien-3-one C20H28O3 316.203844 NA MeJP NA NA +MJ031868 14-Hydroxy-1(19),6,10,12-xenicatetraen-17,18-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031869 14-Hydroxy-1(19),6,10,12-xenicatetraen-18,17-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031870 14-Hydroxy-11,13(15)-abietadien-16,12-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031871 14-Hydroxy-5,8,11,13-tetradecatetraenoic acid, 1,3-Hexadienyl ether(Z,Z-) C20H28O3 316.203844 NA MeJP NA NA +MJ031872 14-Hydroxy-8(17),11,13-labdatrien-16,15-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031873 14-Hydroxy-8,12-cleistanthadiene-7,11-dione; 14?-form C20H28O3 316.203844 NA MeJP NA NA +MJ031874 15,16-Epoxy-1(10),13(16),14-halimatrien-19-oic acid; ent-form C20H28O3 316.203844 NA MeJP NA NA +MJ031875 15,16-Epoxy-12-cleistathen-11-one, 17-Oxo C20H28O3 316.203844 NA MeJP NA NA +MJ031876 15,16-Epoxy-19-hydroxy-5,13(16),14-halimatrien-7-one C20H28O3 316.203844 NA MeJP NA NA +MJ031877 15,16-Epoxy-20-hydroxy-3,13(16),14-clerodatrien-2-one; ent-form C20H28O3 316.203844 NA MeJP NA NA +MJ031878 15,16-Epoxy-3,13(16),14-clerodatrien-17-ol; ent-form, 17-Carboxylic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031879 15,16-Epoxy-3,13(16),14-clerodatrien-18-ol, 18-Carboxylic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031880 15,16-Epoxy-3,13(16),14-clerodatrien-19-oic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031881 15,16-Epoxy-3,13(16),14-clerodatrien-20-oic acid; ent-form C20H28O3 316.203844 NA MeJP NA NA +MJ031882 15,16-Epoxy-3-hydroxy-5,13(16),14-halimatrien-7-one; 3?-form C20H28O3 316.203844 NA MeJP NA NA +MJ031883 15,16-Epoxy-5,13(16),14-halimatrien-18-oic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031884 15,16-Epoxy-6-hydroxy-8,13(16),14-labdatrien-7-one C20H28O3 316.203844 NA MeJP NA NA +MJ031885 15,16-Epoxy-7,13(16),14-labdatrien-17-oic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031886 15,16-Epoxy-7,13(16),14-labdatrien-18-oic acid; ent-form C20H28O3 316.203844 NA MeJP NA NA +MJ031887 15,16-Epoxy-7,13(16),14-labdatriene-2,3-diol, 2-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031888 15,16-Epoxy-8(17),11,13(16),14-labdatetraene-6,7-diol C20H28O3 316.203844 NA MeJP NA NA +MJ031889 15,16-Epoxy-8(17),13(16),14-labdatrien-18-oic acid; ent-form C20H28O3 316.203844 NA MeJP NA NA +MJ031890 15,16-Epoxy-8(17),13(16),14-labdatrien-19-oic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031891 15,16-Epoxy-8(17),13(16),14-labdatriene-2,12-dione; ent-form, 12?-Alcohol C20H28O3 316.203844 NA MeJP NA NA +MJ031892 15,16-Epoxy-9-hydroxy-7,13(16),14-labdatrien-6-one; 9?-form C20H28O3 316.203844 NA MeJP NA NA +MJ031893 15,17-Epoxy-7-hydroxy-13(15),14(17)-cassadien-12-one C20H28O3 316.203844 NA MeJP NA NA +MJ031894 15,20-Dihydroxy-16-atisen-19-oic acid, 19?20 Lactone C20H28O3 316.203844 NA MeJP NA NA +MJ031895 15-Beyerene-2,3,12-triol, 2,12-Diketone C20H28O3 316.203844 NA MeJP NA NA +MJ031896 15-Hydroxy-16-kauren-19-oic acid, 15-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031897 15-Hydroxy-19-trachylobanoic acid, 15-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031898 15-Hydroxy-8(17),11,13-labdatrien-16,15-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031899 15-Hydroxy-8(17),11,13-labdatrien-19-oic acid, 15-Aldehyde C20H28O3 316.203844 NA MeJP NA NA +MJ031900 15-Hydroxy-9(11),16-kauradien-19-oic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031901 15-Kaurene-17,18-diol; ent-form, 18-Carboxylic acid, 17-aldehyde C20H28O3 316.203844 NA MeJP NA NA +MJ031902 15-Kaurene-17,19-diol; ent-form, 19-Carboxylic acid, 17-aldehyde C20H28O3 316.203844 NA MeJP NA NA +MJ031903 16-Kaurene-15,18-diol, 18-Carboxylic acid, 15-ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031904 16-Methylestra-1,3,5(10)-triene-3,16,17-triol, 3-Me ether C20H28O3 316.203844 NA MeJP NA NA +MJ031905 16-Oxo-3,13-clerodadien-18,19-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031906 17,18-Epoxy-1(19),7,10,12-xenicatetraene-6,14,17-triol, 14-Deoxy, 17-ketone (lactone) C20H28O3 316.203844 NA MeJP NA NA +MJ031907 17-Hydroxy-13-labden-15,16-olide; 17-Aldehyde C20H28O3 316.203844 NA MeJP NA NA +MJ031908 18-Hydroxy-16-atisene-3,14-dione; ent-form C20H28O3 316.203844 NA MeJP NA NA +MJ031909 18-Hydroxy-3,7,11,15(17)-cembratetraen-16,14-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031910 19-Hydroxy-13(16),14-spongiadien-3-one C20H28O3 316.203844 NA MeJP NA NA +MJ031911 19-Hydroxy-8,12-abietadiene-11,14-dione C20H28O3 316.203844 NA MeJP NA NA +MJ031912 19-Oxo-1(9),6,13-xenicatrien-18,17-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031913 19-Vouacapanol; 19-Carboxylic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031914 1a,2,2a,3,6,7,8,11,13a,13b-Decahydro-3-(2-pentenyl)-5H-oxireno[3,4-b]cyclopent[1,2-c]oxacyclotridecin-5-one C20H28O3 316.203844 NA MeJP NA NA +MJ031915 2,11-Dihydroxy-7,9(11),13-abietatrien-12-one; 2?-form C20H28O3 316.203844 NA MeJP NA NA +MJ031916 2,12-Dihydroxy-8,11,13-abietatrien-7-one; 2?-form C20H28O3 316.203844 NA MeJP NA NA +MJ031917 2,15-Dihydroxy-8,11,13-abietatrien-7-one; 2?-form C20H28O3 316.203844 NA MeJP NA NA +MJ031918 2,16-Dihydroxy-8(17),13-labdadien-15-oic acid, 15?16-Lactone, 2-ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031919 2,17-Dihydroxy-2,15-beyeradien-1-one; ent-form C20H28O3 316.203844 NA MeJP NA NA +MJ031920 2,19-Dihydroxy-2,15-beyeradien-1-one; ent-form C20H28O3 316.203844 NA MeJP NA NA +MJ031921 2,6-Dihydroxy-1,4(18),15-erythroxylatrien-3-one C20H28O3 316.203844 NA MeJP NA NA +MJ031922 2,6-Dihydroxy-7,15-pimaradien-19-oic acid, 19?6 Lactone C20H28O3 316.203844 NA MeJP NA NA +MJ031923 2,9-Octadecadiene-4,6-diyne-1,18-diol, 1-Ac C20H28O3 316.203844 NA MeJP NA NA +MJ031924 2,9-Octadecadiene-4,6-diyne-1,18-diol, 18-Ac C20H28O3 316.203844 NA MeJP NA NA +MJ031925 2-Hydroxy-12,15-cassadiene-3,11-dione C20H28O3 316.203844 NA MeJP NA NA +MJ031926 2-Hydroxy-3,13-clerodadien-16,15-olide, 2-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031927 2-Hydroxy-8(17),12,14-labdatrien-18-oic acid, 2-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031928 2-Hydroxy-8(17),13-labdadien-16,15-olide, 2-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031929 2-Hydroxy-8,11,13-abietatrien-18-oic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031930 2-Hydroxy-9(11),16-kauradien-19-oic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031931 20-Oxo-3,13-clerodadien-16,15-olide; ent-form C20H28O3 316.203844 NA MeJP NA NA +MJ031932 20-Oxo-3,7,11,15-cembratetraen-19-oic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031933 3,12-Cyathadiene-11,14,15-triol, 14-Ketone, 15-aldehyde C20H28O3 316.203844 NA MeJP NA NA +MJ031934 3,12-Dihydroxy-8,11,13-abietatrien-1-one C20H28O3 316.203844 NA MeJP NA NA +MJ031935 3,12-Dihydroxy-8,11,13-abietatrien-7-one C20H28O3 316.203844 NA MeJP NA NA +MJ031936 3,13-Dihydroxy-16-atisen-14-one, 3-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031937 3,4-Epoxy-1(15),7,12-cembratrien-16,14-olide-form C20H28O3 316.203844 NA MeJP NA NA +MJ031938 3,7,11,15(17)-Cembratetraen-16,14-olide, 3R,4R-Epoxide C20H28O3 316.203844 NA MeJP NA NA +MJ031939 3,7,11,15(17)-Cembratetraen-16,14-olide, 3R,4R-epoxide C20H28O3 316.203844 NA MeJP NA NA +MJ031940 3,7,11,15(17)-Cembratetraen-16,2-olide, 11?,12?-Epoxide C20H28O3 316.203844 NA MeJP NA NA +MJ031941 3,7,11,15(17)-Cembratetraen-16,2-olide, 7R,8R-Epoxide C20H28O3 316.203844 NA MeJP NA NA +MJ031942 3,9-Calamenenediol, 9-Angeloyl C20H28O3 316.203844 NA MeJP NA NA +MJ031943 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 4'-O-(3,7-Dimethyl-2,6-octadienyl), 3'-Me ether C20H28O3 316.203844 NA MeJP NA NA +MJ031944 3-Hydroxy-12,15-cassadiene-2,11-dione C20H28O3 316.203844 NA MeJP NA NA +MJ031945 3-Hydroxy-13(16),14-spongiadien-2-one; 3?-form C20H28O3 316.203844 NA MeJP NA NA +MJ031946 3-Hydroxy-16-atisene-2,14-dione C20H28O3 316.203844 NA MeJP NA NA +MJ031947 3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, 3-Angeloyl C20H28O3 316.203844 NA MeJP NA NA +MJ031948 3-Hydroxy-8,11,13-abietatrien-18-oic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031949 3-Hydroxy-9,11-eremophiladien-8-one, O-(3-Methyl-2-butenoyl) C20H28O3 316.203844 NA MeJP NA NA +MJ031950 3-Hydroxy-9,11-eremophiladien-8-one, O-Angeloyl C20H28O3 316.203844 NA MeJP NA NA +MJ031951 3-Hydroxy-9,11-eremophiladien-8-one, O-(3-Methyl-2-butenoyl) C20H28O3 316.203844 NA MeJP NA NA +MJ031952 3-Hydroxy-9,11-eremophiladien-8-one, O-Angeloyl C20H28O3 316.203844 NA MeJP NA NA +MJ031953 3-Oxo-8(17),13-labdadien-15,16-olide; ent-form C20H28O3 316.203844 NA MeJP NA NA +MJ031954 3-Oxo-8(17),13-labdadien-16,15-olide; ent-form C20H28O3 316.203844 NA MeJP NA NA +MJ031955 4-Hydroxy-9-oxoprosta-5,10,14-trien-1-oic acid, ?-Lactone C20H28O3 316.203844 NA MeJP NA NA +MJ031956 4-Hydroxyretinoic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031957 5,10-Epoxy-11-hydroxy-1,15-rosadien-3-one C20H28O3 316.203844 NA MeJP NA NA +MJ031958 5,12-Dihydroxy-8,11,13-abietatrien-7-one; 5?-form C20H28O3 316.203844 NA MeJP NA NA +MJ031959 5,8-Dihydroxy-14-serrulaten-18-al C20H28O3 316.203844 NA MeJP NA NA +MJ031960 5-Hydroxy-10-oxo-4,10-seco-2,13(15),17-spatatrien-12-al C20H28O3 316.203844 NA MeJP NA NA +MJ031961 5-Hydroxy-2-undecyl-4H-1-benzopyran-4-one C20H28O3 316.203844 NA MeJP NA NA +MJ031962 5-Hydroxy-3,12,14-visciatrien-16,13-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031963 5-Oxo-3-cyclovisciden-16,13-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031964 6,10-Dihydroxy-15-rosen-19-oic acid, 19?10 Lactone, 6-ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031965 6,11-Dihydroxy-7,9(11),13-abietatrien-12-one C20H28O3 316.203844 NA MeJP NA NA +MJ031966 6,12-Dihydroxy-8,11,13-abietatrien-7-one; 6?-form C20H28O3 316.203844 NA MeJP NA NA +MJ031967 6,14-Dihydroxy-8,11,13-abietatrien-1-one C20H28O3 316.203844 NA MeJP NA NA +MJ031968 6,7-Dihydroxy-16-kauren-19-oic acid, 19?6 Lactone C20H28O3 316.203844 NA MeJP NA NA +MJ031969 6,7-Dihydroxy-8,13-abietadiene-11,12-dione, 6-Deoxy C20H28O3 316.203844 NA MeJP NA NA +MJ031970 6,7-Epoxy-1(19),10,12-xenicatrien-18,17-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031971 6,8,11,13-Abietatetraene-11,12,14-triol C20H28O3 316.203844 NA MeJP NA NA +MJ031972 6,8,11,13-Abietatetraene-6,12,14-triol C20H28O3 316.203844 NA MeJP NA NA +MJ031973 6-Hydroxy-3,13-clerodadien-15,16-olide, 6-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031974 6-Hydroxy-3,7,11,15-cembratetraene-5,10-dione C20H28O3 316.203844 NA MeJP NA NA +MJ031975 6-Hydroxy-5-oxo-7,15(19)-fusicoccadien-17-al C20H28O3 316.203844 NA MeJP NA NA +MJ031976 6-Hydroxy-7-oxo-3,13-clerodadien-15,16-olide, 6-Deoxy C20H28O3 316.203844 NA MeJP NA NA +MJ031977 6-Hydroxy-8(17),11,13-labdatrien-16,15-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031978 6-Hydroxy-8,13-abietadiene-11,12-dione; 6?-form C20H28O3 316.203844 NA MeJP NA NA +MJ031979 6-Hydroxy-9(11),16-kauradien-19-oic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031980 6-Oxo-12(18)-dolabellen-19,10-olide, 3,4-Didehydro (Z-) C20H28O3 316.203844 NA MeJP NA NA +MJ031981 6-Oxo-12(18)-dolabellen-19,10-olide, 3,4-Didehydro(E-) C20H28O3 316.203844 NA MeJP NA NA +MJ031982 6-Oxo-12(18)-dolabellen-19,10-olide, 4,16-Didehydro C20H28O3 316.203844 NA MeJP NA NA +MJ031983 6-Oxo-12(18)-dolabellen-19,10-olide, 4,5-Didehydro (Z-) C20H28O3 316.203844 NA MeJP NA NA +MJ031984 6-Oxo-7,13-labdadien-15,16-olide; ent-form C20H28O3 316.203844 NA MeJP NA NA +MJ031985 7,10-Dihydroxy-15-rosen-19-oic acid, 19?10 Lactone, 7-ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031986 7,12-Dihydroxy-8,11,13-abietatrien-6-one C20H28O3 316.203844 NA MeJP NA NA +MJ031987 7,8-Epoxy-1(15),3,11-cembratrien-16,2-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031988 7,8-Epoxy-6-hydroxy-9(11),13-abietadien-12-one C20H28O3 316.203844 NA MeJP NA NA +MJ031989 7-Hydroxy-1(19),5,10,12-xenicatetraen-18,17-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031990 7-Hydroxy-1,3,11-cembratrien-20,8-olide, 7-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031991 7-Hydroxy-16-kauren-19-oic acid, 7-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031992 7-Hydroxy-8(14),13(15)-abietadien-16,12-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031993 7-Hydroxy-8(14),15-pimaradien-19-oic acid, 7-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031994 7-Hydroxy-8,15-pimaradien-19-oic acid, 7-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031995 7-Hydroxy-9(11),16-kauradien-19-oic acid C20H28O3 316.203844 NA MeJP NA NA +MJ031996 7-Oxo-13(15)-abieten-16,12-olide C20H28O3 316.203844 NA MeJP NA NA +MJ031997 8(14),15-Isopimaradiene-7,18-diol; 7?-form, 18-Carboxylic acid, 7-ketone C20H28O3 316.203844 NA MeJP NA NA +MJ031998 8,11,13,15-Cleistanthatetraene-2,3,12-triol C20H28O3 316.203844 NA MeJP NA NA +MJ031999 8,11,13-Abietatriene-1,18-diol; 1?-form, 18-Carboxylic acid C20H28O3 316.203844 NA MeJP NA NA +MJ032000 8,11,13-Abietatriene-12,18-diol; 18-Carboxylic acid C20H28O3 316.203844 NA MeJP NA NA +MJ032001 8,11,13-Abietatriene-12,19-diol; 19-Carboxylic acid C20H28O3 316.203844 NA MeJP NA NA +MJ032002 8,11,13-Abietatriene-12,20-diol; 20-Carboxylic acid C20H28O3 316.203844 NA MeJP NA NA +MJ032003 8,11,13-Abietatriene-15,18-diol; 18-Carboxylic acid C20H28O3 316.203844 NA MeJP NA NA +MJ032004 8,11,13-Abietatriene-15,19-diol; 19-Carboxylic acid C20H28O3 316.203844 NA MeJP NA NA +MJ032005 8,11,13-Abietatriene-6,12-diol; 6?-form, 6-Ketone, 12-hydroperoxide C20H28O3 316.203844 NA MeJP NA NA +MJ032006 8,11,13-Abietatriene-7,11,12-triol; 7?-form, 7-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ032007 8,11,13-Abietatriene-7,15,18-triol; 7?-form, 18-Aldehyde C20H28O3 316.203844 NA MeJP NA NA +MJ032008 8,11,13-Abietatriene-7,15,18-triol; 7?-form, 7-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ032009 8,11,13-Abietatriene-7,19-diol; 7?-form, 19-Carboxylic acid C20H28O3 316.203844 NA MeJP NA NA +MJ032010 8,11,13-Totaratriene-13,19-diol; 19-Carboxylic acid C20H28O3 316.203844 NA MeJP NA NA +MJ032011 8-Hydroxy-1(10),4-cadinadien-3-one; 8-Angeloyl C20H28O3 316.203844 NA MeJP NA NA +MJ032012 8-Hydroxy-1,11-eremophiladien-9-one; 8?-form, ?1,10-Isomer, angeloyl C20H28O3 316.203844 NA MeJP NA NA +MJ032013 8-Hydroxy-3-undecyl-1H-2-benzopyran-1-one C20H28O3 316.203844 NA MeJP NA NA +MJ032014 Agrostistachin; 6-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ032015 Aldovibsanin A; 7-Deoxy, 6,7-didehydro C20H28O3 316.203844 NA MeJP NA NA +MJ032016 Allocyathin B3 C20H28O3 316.203844 NA MeJP NA NA +MJ032017 Ambliofuran; 12-Oxo, 13-hydroxy C20H28O3 316.203844 NA MeJP NA NA +MJ032018 Antibiotic Sch 47918 C20H28O3 316.203844 NA MeJP NA NA +MJ032019 Bacillariolide I C20H28O3 316.203844 NA MeJP NA NA +MJ032020 Cafestol C20H28O3 316.203844 NA MeJP NA NA +MJ032021 Carnosol; Deoxo C20H28O3 316.203844 NA MeJP NA NA +MJ032022 Centipedic acid C20H28O3 316.203844 NA MeJP NA NA +MJ032023 Chapecoderin C C20H28O3 316.203844 NA MeJP NA NA +MJ032024 Cinerin I C20H28O3 316.203844 NA MeJP NA NA +MJ032025 Dendrillolide C C20H28O3 316.203844 NA MeJP NA NA +MJ032026 Didemnilactone C20H28O3 316.203844 NA MeJP NA NA +MJ032027 Ecklonialactone E C20H28O3 316.203844 NA MeJP NA NA +MJ032028 Elisabethin A C20H28O3 316.203844 NA MeJP NA NA +MJ032029 Enestebol C20H28O3 316.203844 NA MeJP NA NA +MJ032030 Estra-1,3,5(10)-triene-3,16,17-triol, 3,17-Di-Me ether C20H28O3 316.203844 NA MeJP NA NA +MJ032031 Estra-1,3,5(10)-triene-3,16,17-triol, 3,16-Di-Me ether C20H28O3 316.203844 NA MeJP NA NA +MJ032032 Formosanic acid C20H28O3 316.203844 NA MeJP NA NA +MJ032033 Furanoeremophil-1(10)-en-3-ol, 3-(2-Methylbutanoyl) C20H28O3 316.203844 NA MeJP NA NA +MJ032034 Furanoeremophilan-1-ol, Angeloyl C20H28O3 316.203844 NA MeJP NA NA +MJ032035 Furanoeremophilan-2-ol, 3-Methyl-2-butenoyl C20H28O3 316.203844 NA MeJP NA NA +MJ032036 Furanoeremophilan-2-ol, Angeloyl C20H28O3 316.203844 NA MeJP NA NA +MJ032037 Furanoeremophilan-3-ol, Angeloyl C20H28O3 316.203844 NA MeJP NA NA +MJ032038 Furanoeremophilan-3-ol, Tigloyl C20H28O3 316.203844 NA MeJP NA NA +MJ032039 Furanoeremophilan-6-ol, Angeloyl C20H28O3 316.203844 NA MeJP NA NA +MJ032040 Furanoeremophilan-6-ol, O-(3-Methyl-2-butenoyl) C20H28O3 316.203844 NA MeJP NA NA +MJ032041 Galeopsinolone C20H28O3 316.203844 NA MeJP NA NA +MJ032042 Gestronol C20H28O3 316.203844 NA MeJP NA NA +MJ032043 Gibberellin A12; 7-Aldehyde C20H28O3 316.203844 NA MeJP NA NA +MJ032044 Helioscopinolide A C20H28O3 316.203844 NA MeJP NA NA +MJ032045 Hybridalactone C20H28O3 316.203844 NA MeJP NA NA +MJ032046 Isojatrogrossidione C20H28O3 316.203844 NA MeJP NA NA +MJ032047 Jhanic acid C20H28O3 316.203844 NA MeJP NA NA +MJ032048 Jolkinol C C20H28O3 316.203844 NA MeJP NA NA +MJ032049 Jolkinolide D C20H28O3 316.203844 NA MeJP NA NA +MJ032050 Koumbalone A C20H28O3 316.203844 NA MeJP NA NA +MJ032051 Koumbalone B C20H28O3 316.203844 NA MeJP NA NA +MJ032052 Marginatafuran C20H28O3 316.203844 NA MeJP NA NA +MJ032053 Phomactin B2 C20H28O3 316.203844 NA MeJP NA NA +MJ032054 Sarcodonin A C20H28O3 316.203844 NA MeJP NA NA +MJ032055 Sarcopetaloic acid C20H28O3 316.203844 NA MeJP NA NA +MJ032056 Sarcopetalololide; 3-Ketone C20H28O3 316.203844 NA MeJP NA NA +MJ032057 Sarcophinone C20H28O3 316.203844 NA MeJP NA NA +MJ032058 Sarsolide A C20H28O3 316.203844 NA MeJP NA NA +MJ032059 Saturolide C20H28O3 316.203844 NA MeJP NA NA +MJ032060 Shikoccin; 3-Deacetoxy C20H28O3 316.203844 NA MeJP NA NA +MJ032061 Sollasin D C20H28O3 316.203844 NA MeJP NA NA +MJ032062 Standishinal C20H28O3 316.203844 NA MeJP NA NA +MJ032063 Terminalic acid C20H28O3 316.203844 NA MeJP NA NA +MJ032064 Terminolic acid C20H28O3 316.203844 NA MeJP NA NA +MJ032065 Tricyclosolidagolactone C20H28O3 316.203844 NA MeJP NA NA +MJ032066 Wedeliasecokaurenolide C20H28O3 316.203844 NA MeJP NA NA +MJ032067 Xeniaacetal C20H28O3 316.203844 NA MeJP NA NA +MJ032068 Xeniafaraunol A; 4?,5?-Epoxide C20H28O3 316.203844 NA MeJP NA NA +MJ032069 Gibberellin 12 aldehyde C20H28O3 316.203844 NA MeJP NA NA +EUR160 15-deoxy-prostaglandinJ2 C20H28O3 316.203845 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR160 15-deoxy-prostaglandinJ2 C20H28O3 316.203845 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR160 15-deoxy-prostaglandinJ2 C20H28O3 316.203845 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR160 15-deoxy-prostaglandinJ2 C20H28O3 316.203845 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR160 15-deoxy-prostaglandinJ2 C20H28O3 316.203845 Wishlist HMDB NA NA +EUR160 15-deoxy-prostaglandinJ2 C20H28O3 316.203845 Wishlist Inhouse_PFEM NA NA +MetaCyc02808 phytocassane A [] C20H28O3 316.203845 NA metacyc NA NA +MetaCyc02809 GA12-aldehyde [gibberellin A12-aldehyde;gibberellin A12-aldehyde;GA12-aldehyde;] C20H28O3 316.203845 NA metacyc NA NA +EUR160 15-deoxy-prostaglandinJ2 C20H28O3 316.203845 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR160 15-deoxy-prostaglandinJ2 C20H28O3 316.203845 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00344 2-Methoxyestradiol-3-methylether C20H28O3 316.203857 NA HMDB2010 NA NA +HMDB05079 15-Deoxy-d-12,14-PGJ2 C20H28O3 316.203857 NA HMDB2010 NA NA +HMDB05832 6b-Hydroxymethandienone C20H28O3 316.203857 NA HMDB2010 NA NA +HMDB06254 4-Hydroxyretinoic acid C20H28O3 316.203857 NA HMDB2010 NA NA +HMDB12451 all-trans-5,6-Epoxyretinoic acid C20H28O3 316.203857 NA HMDB2010 NA NA +HMDB12452 all-trans-18-Hydroxyretinoic acid C20H28O3 316.203857 NA HMDB2010 NA NA +EUR476 15ketoProstaglandinF2? F3 F3 316.206025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR476 15ketoProstaglandinF2? F3 NA 316.206025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR476 15ketoProstaglandinF2? F3 F3 316.206025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR476 15ketoProstaglandinF2? F3 NA 316.206025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR476 15ketoProstaglandinF2? F3 F3 316.206025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR476 15ketoProstaglandinF2? F3 NA 316.206025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR476 15ketoProstaglandinF2? F3 F3 316.206025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR476 15ketoProstaglandinF2? F3 F3 316.206025 standards wishlist analysés sur QTOF HMDB NA NA +EUR476 15ketoProstaglandinF2? F3 F3 316.206025 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR476 15ketoProstaglandinF2? F3 NA 316.206025 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR476 15ketoProstaglandinF2? F3 F3 316.206025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR476 15ketoProstaglandinF2? F3 F3 316.206025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ032070 Antibiotic KA 6606XV C14H28N4O4 316.211055 NA MeJP NA NA +PJ000271 GLK C14H28N4O4 316.2111 NA PeJP NA NA +MJ032071 3-(14-Nitro-3-tetradecenyl)pyridine, 3',4'-Didehydro C19H28N2O2 316.215078 NA MeJP NA NA +MJ032072 Benzastatin A C19H28N2O2 316.215078 NA MeJP NA NA +MJ032073 2-(9-Decenyl)phenanthrene C24H28 316.2191 NA MeJP NA NA +MJ032074 9-Hydroxyheptadecanedioic acid C17H32O5 316.224974 NA MeJP NA NA +MJ032075 Butalamine C18H28N4O 316.226311 NA MeJP NA NA +C01953 Pregnenolone C21H32O2 316.2402 NA KEGG NA NA +C03681 5alpha-Pregnane-3,20-dione C21H32O2 316.2402 NA KEGG NA NA +C03965 (S)-20-Hydroxypregn-4-en-3-one C21H32O2 316.2402 NA KEGG NA NA +C03968 1-Alkyl-sn-glycero-3-phosphate C3H8O6PR 316.2402 NA KEGG NA NA +C04042 20alpha-Hydroxy-4-pregnen-3-one C21H32O2 316.2402 NA KEGG NA NA +C05479 5beta-Pregnane-3,20-dione C21H32O2 316.2402 NA KEGG NA NA +C10839 Urushiol III C21H32O2 316.2402 NA KEGG NA NA +C14475 Bolasterone C21H32O2 316.2402 NA KEGG NA NA +C14962 17-Hydroxy-5alpha,17alpha-pregn-1-en-3-one C21H32O2 316.2402 NA KEGG NA NA +C15012 17beta-Hydroxy-2,17-dimethyl-5alpha-androst-1-en-3-one C21H32O2 316.2402 NA KEGG NA NA +C15108 17beta-Hydroxy-6alpha,17-dimethylandrost-4-en-3-one C21H32O2 316.2402 NA KEGG NA NA +C15156 3-Acetyl-5alpha-androst-2-en-17beta-ol C21H32O2 316.2402 NA KEGG NA NA +C15199 3-Ethynyl-5alpha-androstane-3beta,17beta-diol C21H32O2 316.2402 NA KEGG NA NA +C15334 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one C21H32O2 316.2402 NA KEGG NA NA +C15339 17alpha,2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one C21H32O2 316.2402 NA KEGG NA NA +HMDB00253 Pregnenolone C21H32O2 316.24023 http://www.hmdb.ca/metabolites/HMDB00253 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03069 20alpha-Dihydroprogesterone C21H32O2 316.24023 http://www.hmdb.ca/metabolites/HMDB03069 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03759 5alpha-Pregnane-3,20-dione C21H32O2 316.24023 http://www.hmdb.ca/metabolites/HMDB03759 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00253 Pregnenolone C21H32O2 316.24023 http://www.hmdb.ca/metabolites/HMDB00253 HMDB NA NA +HMDB03069 20alpha-Dihydroprogesterone C21H32O2 316.24023 http://www.hmdb.ca/metabolites/HMDB03069 HMDB NA NA +HMDB03759 5alpha-Pregnane-3,20-dione C21H32O2 316.24023 http://www.hmdb.ca/metabolites/HMDB03759 HMDB NA NA +HMDB04627 Calusterone C21H32O2 316.24023 http://www.hmdb.ca/metabolites/HMDB04627 HMDB NA NA +HMDB06002 Ethyltestosterone C21H32O2 316.24023 http://www.hmdb.ca/metabolites/HMDB06002 HMDB NA NA +HMDB06026 Norbolethone C21H32O2 316.24023 http://www.hmdb.ca/metabolites/HMDB06026 HMDB NA NA +HMDB06048 Bolasterone C21H32O2 316.24023 http://www.hmdb.ca/metabolites/HMDB06048 HMDB NA NA +MJ032076 1,3,7,11-Cembratetraen-16-ol, Carboxylic acid, Me ester C21H32O2 316.24023 NA MeJP NA NA +MJ032077 1,6,9,12,15,18-Heneicosahexaene, 6,7:15,16-Diepoxide C21H32O2 316.24023 NA MeJP NA NA +MJ032078 1,6,9,12,15,18-Heneicosahexaene, 9,10:15,16-Diepoxide C21H32O2 316.24023 NA MeJP NA NA +MJ032079 1-(3,4-Methylenedioxyphenyl)-1-tetradecene C21H32O2 316.24023 NA MeJP NA NA +MJ032080 1-Phenyl-1,3-pentadecanedione C21H32O2 316.24023 NA MeJP NA NA +MJ032081 16-Hydroxypregn-4-en-3-one C21H32O2 316.24023 NA MeJP NA NA +MJ032082 16-Kauren-19-ol; ent-form, 19-Carboxylic acid, Me ester C21H32O2 316.24023 NA MeJP NA NA +MJ032083 17-(2-Furanyl)-3,7,9-heptadecatrien-6-ol C21H32O2 316.24023 NA MeJP NA NA +MJ032084 17-Hydroxy-7,17-dimethylandrost-4-en-3-one C21H32O2 316.24023 NA MeJP NA NA +MJ032085 20-Hydroxypregn-4-en-3-one C21H32O2 316.24023 NA MeJP NA NA +MJ032086 3,13(16),14-Clerodatrien-18-oic acid, Me ester C21H32O2 316.24023 NA MeJP NA NA +MJ032087 3-Hexadecyl-5-methylene-2(5H)-furanone; 8',9',11',12'-Tetradehydro(Z,Z-) C21H32O2 316.24023 NA MeJP NA NA +MJ032088 3-Hydroxypregn-14-en-20-one C21H32O2 316.24023 NA MeJP NA NA +MJ032089 3-Hydroxypregn-16-en-20-one C21H32O2 316.24023 NA MeJP NA NA +MJ032090 3-Hydroxypregn-5-en-20-one C21H32O2 316.24023 NA MeJP NA NA +MJ032091 3-Pentadecyl-1,2-benzenediol; 10',11',13',14'-Tetradehydro(10'Z,13'E) C21H32O2 316.24023 NA MeJP NA NA +MJ032092 3-Pentadecyl-1,2-benzenediol; 7',8',10',11'-Tetradehydro C21H32O2 316.24023 NA MeJP NA NA +MJ032093 3-Pentadecyl-1,2-benzenediol; 8',9',11',12'-Tetradehydro(Z,Z-) C21H32O2 316.24023 NA MeJP NA NA +MJ032094 5-Pentadecyl-1,3-benzenediol; 8',9'Z,11',12'Z-Tetradehydro C21H32O2 316.24023 NA MeJP NA NA +MJ032095 8,11,13-Abietatriene-11,12-diol; 12-Me ether C21H32O2 316.24023 NA MeJP NA NA +MJ032096 8,11,13-Abietatriene-3,12-diol; 3?-form, 12-Me ether C21H32O2 316.24023 NA MeJP NA NA +MJ032097 8,11,13-Icetexatriene-10,12-diol; 10?-form, 12-Me ether C21H32O2 316.24023 NA MeJP NA NA +MJ032098 8,11,13-Totaratriene-12,13-diol; 12-Me ether C21H32O2 316.24023 NA MeJP NA NA +MJ032099 Cannabigerol C21H32O2 316.24023 NA MeJP NA NA +MJ032100 Cyclopregnol C21H32O2 316.24023 NA MeJP NA NA +MJ032101 Norboletone C21H32O2 316.24023 NA MeJP NA NA +MJ032102 Pregna-5,14-diene-3,20-diol C21H32O2 316.24023 NA MeJP NA NA +MJ032103 Pregnane-3,20-dione C21H32O2 316.24023 NA MeJP NA NA +MJ032104 Tetranorcacospongionolide B C21H32O2 316.24023 NA MeJP NA NA +MJ032105 Tricyclodictyofuran A; 9-Deoxy, 19?-methoxy C21H32O2 316.24023 NA MeJP NA NA +MJ032106 5alpha-Pregnane-3,20-dione C21H32O2 316.24023 NA MeJP NA NA +MJ032107 5beta-Pregnane-3,20-dione C21H32O2 316.24023 NA MeJP NA NA +MJ032108 20alpha-Hydroxy-4-pregnen-3-one C21H32O2 316.24023 NA MeJP NA NA +MJ032109 Pregnenolone C21H32O2 316.24023 NA MeJP NA NA +MetaCyc02810 pregnenolone [] C21H32O2 316.24023 145-13-1 metacyc NA NA +MetaCyc02811 5-β-pregnan-3,20 dione [] C21H32O2 316.24023 NA metacyc NA NA +MetaCyc02812 3-β-hydroxypregn-5-en-20-one [5-pregnen-3-β-ol-20-one;1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanone;] C21H32O2 316.24023 NA metacyc NA NA +MetaCyc02813 5α-pregnan-3,20-dione [] C21H32O2 316.24023 566-65-4 metacyc NA NA +HMDB00253 Pregnenolone C21H32O2 316.24023 http://www.hmdb.ca/metabolites/HMDB00253 PFEM_hmdb_metabocards_blood NA blood +HMDB03069 20alpha-Dihydroprogesterone C21H32O2 316.24023 http://www.hmdb.ca/metabolites/HMDB03069 PFEM_hmdb_metabocards_blood NA blood +HMDB03759 5alpha-Pregnane-3,20-dione C21H32O2 316.24023 http://www.hmdb.ca/metabolites/HMDB03759 PFEM_hmdb_metabocards_blood NA blood +HMDB00253 Pregnenolone C21H32O2 316.24023 HMDB00253 PFEM_hmdb_metabocards_official NA NA +HMDB03069 20alpha-Dihydroprogesterone C21H32O2 316.24023 HMDB03069 PFEM_hmdb_metabocards_official NA NA +HMDB03759 5alpha-Pregnane-3,20-dione C21H32O2 316.24023 HMDB03759 PFEM_hmdb_metabocards_official NA NA +HMDB04627 Calusterone C21H32O2 316.24023 HMDB04627 PFEM_hmdb_metabocards_official NA NA +HMDB06002 Ethyltestosterone C21H32O2 316.24023 HMDB06002 PFEM_hmdb_metabocards_official NA NA +HMDB06026 Norbolethone C21H32O2 316.24023 HMDB06026 PFEM_hmdb_metabocards_official NA NA +HMDB06048 Bolasterone C21H32O2 316.24023 HMDB06048 PFEM_hmdb_metabocards_official NA NA +HMDB00253 Pregnenolone C21H32O2 316.240234 NA HMDB2010 NA NA +HMDB03069 20a-Dihydroprogesterone C21H32O2 316.240234 NA HMDB2010 NA NA +HMDB03759 5a-Pregnane-3,20-dione C21H32O2 316.240234 NA HMDB2010 NA NA +HMDB04627 Calusterone C21H32O2 316.240234 NA HMDB2010 NA NA +HMDB06002 Ethyltestosterone C21H32O2 316.240234 NA HMDB2010 NA NA +HMDB06026 Norbolethone C21H32O2 316.240234 NA HMDB2010 NA NA +HMDB06048 Bolasterone C21H32O2 316.240234 NA HMDB2010 NA NA +MJ032110 18-Fluoro-9-octadecenoic acid, 9,10-Epoxide C18H33FO3 316.241373 NA MeJP NA NA +CJpos0746 Decanoylcarnitine isomer [(M+H)]+ (13C) C1613CH34NO4 316.243775 C18rt(min)=8.74 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0747 Decanoylcarnitine [(M+H)]+ (13C) C1613CH34NO4 316.243775 C18rt(min)=8.97 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0746 Decanoylcarnitine isomer [(M+H)]+ (13C) C1613CH34NO4 316.243775 C18rt(min)=8.74 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJpos0747 Decanoylcarnitine [(M+H)]+ (13C) C1613CH34NO4 316.243775 C18rt(min)=8.97 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ032111 Hachijodines; Hachijodine F C20H32N2O 316.251463 NA MeJP NA NA +MJ032112 Ikimine D C20H32N2O 316.251463 NA MeJP NA NA +MJ032113 Niphatesine E; 20,N-Dihydro C20H32N2O 316.251463 NA MeJP NA NA +HMDB11532 MG(0:0/15:0/0:0) C18H36O4 316.261353 NA HMDB2010 NA NA +HMDB11563 MG(15:0/0:0/0:0) C18H36O4 316.261353 NA HMDB2010 NA NA +MJ032114 10,18-Dihydroxyoctadecanoic acid C18H36O4 316.261359 NA MeJP NA NA +MJ032115 15,16-Dihydroxyoctadecanoic acid C18H36O4 316.261359 NA MeJP NA NA +MJ032116 9,10-Dihydroxyoctadecanoic acid C18H36O4 316.261359 NA MeJP NA NA +MJ032117 9,14-Dihydroxyoctadecanoic acid C18H36O4 316.261359 NA MeJP NA NA +MJ032118 9,18-Dihydroxyoctadecanoic acid C18H36O4 316.261359 NA MeJP NA NA +MJ032119 Glycerol 1-alkanoates; Glycerol 12S-methyltetradecanoate C18H36O4 316.261359 NA MeJP NA NA +C08314 (9R,10R)-Dihydroxyoctadecanoic acid C18H36O4 316.2614 NA KEGG NA NA +C15988 (9S,10S)-9,10-Dihydroxyoctadecanoate C18H36O4 316.2614 NA KEGG NA NA +C14933 17-Propyl-5alpha-androst-2-en-17beta-ol C22H36O 316.2766 NA KEGG NA NA +MJ032120 Mansumbinol C22H36O 316.276615 NA MeJP NA NA +MJ032121 Pregn-5-ene-3,20-diamine C21H36N2 316.287849 NA MeJP NA NA +C13859 1-O-Hexadecyl-sn-glycerol C19H40O3 316.2977 NA KEGG NA NA +MJ032122 1,2,4-Nonadecanetriol C19H40O3 316.297745 NA MeJP NA NA +MJ032123 3-Hexadecyloxy-1,2-propanediol C19H40O3 316.297745 NA MeJP NA NA +MJ032124 Homocaldohexamine C16H40N6 316.331445 NA MeJP NA NA +C11063 Chlornitrofen C12H6Cl3NO3 316.9413 NA KEGG NA NA +MJ032125 Phosmet, ESA C11H12NO4PS2 316.994535 NA MeJP NA NA +C02996 Meclofenamate sodium C14H10Cl2NO2 316.9986 NA KEGG NA NA +C11018 Azinphos methyl C10H12N3O3PS2 317.0058 NA KEGG NA NA +C04336 N-Glycolyl-D-mannosamine 6-phosphate C8H16NO10P 317.0512 NA KEGG NA NA +C08164 Nilutamide C12H10F3N3O4 317.0623 NA KEGG NA NA +C08165 Transferred to D00966 C12H10F3N3O4 317.0623 NA KEGG NA NA +MJ032126 Nilutamide C12H10F3N3O4 317.06234 NA MeJP NA NA +C08727 Petunidin C16H13O7 317.0661 NA KEGG NA NA +FL7ABGNS0001 Pulchellidin C16H13O7 317.06612 19077-86-2 knapsack NA NA +HMDB03173 Petunidin C16H13O7 317.06613 http://www.hmdb.ca/metabolites/HMDB03173 HMDB NA NA +HMDB03173 Petunidin C16H13O7 317.06613 HMDB03173 PFEM_hmdb_metabocards_official NA NA +MJ032127 Annobraine C19H11NO4 317.068807 NA MeJP NA NA +MJ032128 Avicine; De-N-Me C19H11NO4 317.068807 NA MeJP NA NA +MJ032129 Lettowianthine C19H11NO4 317.068807 NA MeJP NA NA +MJ032130 Norsanguinarine C19H11NO4 317.068807 NA MeJP NA NA +MJ032131 9,10-Demethylenesanguinarine; 9,10-Quinone C19H12NO4(+) 317.068807 NA MeJP NA NA +MJ032132 Polyoxin C C11H15N3O8 317.085914 NA MeJP NA NA +MJ032133 1,2,3,5,6-Pentahydroxyacridone; 2,3,10-Tri-Me C16H15NO6 317.089937 NA MeJP NA NA +MJ032134 1,2,3,5,6-Pentahydroxyacridone; 2,5,10-Tri-Me C16H15NO6 317.089937 NA MeJP NA NA +MJ032135 1,3,4,5,6-Pentahydroxyacridone; N,O3,O6-Tri-Me C16H15NO6 317.089937 NA MeJP NA NA +MJ032136 1,3,4,5,6-Pentahydroxyacridone; N,O4,O5-Tri-Me C16H15NO6 317.089937 NA MeJP NA NA +MJ032137 2-Benzamidobenzoic acid; 2'-Hydroxy, 4,4'-dimethoxy C16H15NO6 317.089937 NA MeJP NA NA +MJ032138 Schumannificine C16H15NO6 317.089937 NA MeJP NA NA +FL7DECNS0002 5,4'-Dimethyl-6-hydroxyluteolinidin;6,7,3'-Trihydroxy-5,4'-dimethoxy-flavylium C17H17O6 317.10251 - knapsack NA NA +MJ032139 Murrapanine C20H15NO3 317.105193 NA MeJP NA NA +MJ032140 Oxyphenisatin C20H15NO3 317.105193 NA MeJP NA NA +MJ032141 Mycosporin glutamicol; 5'-Carboxylic acid C13H19NO8 317.111066 NA MeJP NA NA +MJ032142 Cystodytins; Cystodytin A, N-Deacyl, N-Ac C19H15N3O2 317.116426 NA MeJP NA NA +MJ032143 Dihydrorutaecarpine; N14-Formyl C19H15N3O2 317.116426 NA MeJP NA NA +MJ032144 Hortiacine C19H15N3O2 317.116426 NA MeJP NA NA +MJ032145 Pauridianthine; 1''?-Alcohol C19H15N3O2 317.116426 NA MeJP NA NA +MJ032146 Rutaecarpine; 1-Methoxy C19H15N3O2 317.116426 NA MeJP NA NA +MJ032147 6-Chloro-2,3,4,5-tetrahydro-3-methyl-1-(3-methylphenyl)-1H-3-benzazepine-7,8-diol C18H20ClNO2 317.118256 NA MeJP NA NA +PJ000272 SPD C12H19N3O7 317.1223 NA PeJP NA NA +C10166 Piplartine C17H19NO5 317.1263 NA KEGG NA NA +C12168 Crinamidine C17H19NO5 317.1263 NA KEGG NA NA +C12174 Haemanthidine C17H19NO5 317.1263 NA KEGG NA NA +C12239 9-O-Demethyl-2alpha-hydroxyhomolycorine C17H19NO5 317.1263 NA KEGG NA NA +MJ032148 2,4-Dimethoxy-7,8-methylenedioxy-3-prenylquinoline; 2'R,3'-Epoxide C17H19NO5 317.126322 NA MeJP NA NA +MJ032149 2,4-Dimethoxy-7,8-methylenedioxy-3-prenylquinoline; ?3'-Isomer, 2'-hydroxy C17H19NO5 317.126322 NA MeJP NA NA +MJ032150 4-Hydroxy-3-methoxyphenethylamine; N-(2-Hydroxy-5-methoxybenzoyl) C17H19NO5 317.126322 NA MeJP NA NA +MJ032151 6-Hydroxycrinamine C17H19NO5 317.126322 NA MeJP NA NA +MJ032152 Cliviahaksine C17H19NO5 317.126322 NA MeJP NA NA +MJ032153 Clivonine C17H19NO5 317.126322 NA MeJP NA NA +MJ032154 Crinamidine C17H19NO5 317.126322 NA MeJP NA NA +MJ032155 Criwelline, O-De-Me C17H19NO5 317.126322 NA MeJP NA NA +MJ032156 Demethylneodrupacine C17H19NO5 317.126322 NA MeJP NA NA +MJ032157 Dubinidine; 2'-Ac C17H19NO5 317.126322 NA MeJP NA NA +MJ032158 Falcatine; 2?-Hydroxy C17H19NO5 317.126322 NA MeJP NA NA +MJ032159 Flexamine C17H19NO5 317.126322 NA MeJP NA NA +MJ032160 Flexine C17H19NO5 317.126322 NA MeJP NA NA +MJ032161 Furo[2,3-b]quinoline-4,7-diol; OH-form, 7-O-(2,3-Dihydroxy-3-methylbutyl), O4-Me C17H19NO5 317.126322 NA MeJP NA NA +MJ032162 Haemanthamine, 4?-Hydroxy C17H19NO5 317.126322 NA MeJP NA NA +MJ032163 Haemanthidine C17H19NO5 317.126322 NA MeJP NA NA +MJ032164 Homolycorine; 5?-Hydroxy, 10-O-de-Me C17H19NO5 317.126322 NA MeJP NA NA +MJ032165 Homolycorine; O9-De-Me, N-oxide (?-) C17H19NO5 317.126322 NA MeJP NA NA +MJ032166 Lunidonine C17H19NO5 317.126322 NA MeJP NA NA +MJ032167 Lutessine; De-Ac C17H19NO5 317.126322 NA MeJP NA NA +MJ032168 Orixine, 3'-Deoxy, 2'-ketone C17H19NO5 317.126322 NA MeJP NA NA +MJ032169 Piplartine C17H19NO5 317.126322 NA MeJP NA NA +MJ032170 Powelline; 6?-Hydroxy C17H19NO5 317.126322 NA MeJP NA NA +MJ032171 Pteleprenine; ?3',4'-Isomer, 2'?-hydroxy C17H19NO5 317.126322 NA MeJP NA NA +MJ032172 Tazettine, O-De-Me C17H19NO5 317.126322 NA MeJP NA NA +MJ032173 Ungminorine C17H19NO5 317.126322 NA MeJP NA NA +MJ032174 Ungspiroline; 1,2-Dihydro C17H19NO5 317.126322 NA MeJP NA NA +MJ032175 Vallotine C17H19NO5 317.126322 NA MeJP NA NA +PJ000273 GNQ C11H19N5O6 317.1335 NA PeJP NA NA +PJ000274 GGGQ C11H19N5O6 317.1336 NA PeJP NA NA +MJ032176 N2-[5-(4-Aminophenyl)-2,4-pentadienoyl]glutamine C16H19N3O4 317.137556 NA MeJP NA NA +PJ000275 APM C13H23N3O4S 317.1409 NA PeJP NA NA +MJ032177 5-[2-(Dimethylamino)ethoxy]-7H-benzo[c]fluoren-7-one C21H19NO2 317.141578 NA MeJP NA NA +MJ032178 Cyclo(arginyldehydrotyrosyl) C15H19N5O3 317.148789 NA MeJP NA NA +MJ032179 N?-(1H-Indol-3-ylcarbonyl)arginine C15H19N5O3 317.148789 NA MeJP NA NA +MJ032180 Angustine; 3,14,18,19-Tetrahydro C20H19N3O 317.152812 NA MeJP NA NA +MJ032181 Mecloxamine C19H24ClNO 317.154642 NA MeJP NA NA +PJ000276 GLE C13H23N3O6 317.1587 NA PeJP NA NA +MJ032182 Kikumycin A; Pyrrolo-N-Me C14H19N7O2 317.160022 NA MeJP NA NA +C08516 Amaryllisine C18H23NO4 317.1627 NA KEGG NA NA +C08530 Lycorenine C18H23NO4 317.1627 NA KEGG NA NA +C10692 Haplophyllidine C18H23NO4 317.1627 NA KEGG NA NA +C12238 Papyramine C18H23NO4 317.1627 NA KEGG NA NA +C13730 LY382884 C18H23NO4 317.1627 NA KEGG NA NA +C14988 4-Nitroestra-1,3,5(10)-triene-3,17beta-diol C18H23NO4 317.1627 NA KEGG NA NA +C15007 2-Nitroestra-1,3,5(10)-triene-3,17beta-diol C18H23NO4 317.1627 NA KEGG NA NA +MJ032183 6-[(4-Carboxyphenyl)methyl]decahydro-3-isoquinolinecarboxylic acid C18H23NO4 317.162708 NA MeJP NA NA +MJ032184 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(3-Hydroxy-4-methoxycinnamoyl) C18H23NO4 317.162708 NA MeJP NA NA +MJ032185 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Phenylacetyl, 6-Ac C18H23NO4 317.162708 NA MeJP NA NA +MJ032186 Amaryllisine C18H23NO4 317.162708 NA MeJP NA NA +MJ032187 Anhydroperforine C18H23NO4 317.162708 NA MeJP NA NA +MJ032188 Arbutamine C18H23NO4 317.162708 NA MeJP NA NA +MJ032189 Denopamine C18H23NO4 317.162708 NA MeJP NA NA +MJ032190 Erysopitine; O15-Me C18H23NO4 317.162708 NA MeJP NA NA +MJ032191 Erysopitine; O16-Me C18H23NO4 317.162708 NA MeJP NA NA +MJ032192 Galanthine C18H23NO4 317.162708 NA MeJP NA NA +MJ032193 Haplophyllidine C18H23NO4 317.162708 NA MeJP NA NA +MJ032194 Kesselridine C18H23NO4 317.162708 NA MeJP NA NA +MJ032195 Lunacridine, 3',4'-Didehydro, Me ether C18H23NO4 317.162708 NA MeJP NA NA +MJ032196 Lycorenine C18H23NO4 317.162708 NA MeJP NA NA +MJ032197 Maritidine, 3-Epimer, 1,2-dihydro, O9-de-Me, O3-Ac C18H23NO4 317.162708 NA MeJP NA NA +MJ032198 Misramine; O2-De-Me C18H23NO4 317.162708 NA MeJP NA NA +MJ032199 Pandamarilactone 1 C18H23NO4 317.162708 NA MeJP NA NA +MJ032200 Pandamarilactonine A C18H23NO4 317.162708 NA MeJP NA NA +MJ032201 Pandanamine C18H23NO4 317.162708 NA MeJP NA NA +MJ032202 Papyramine C18H23NO4 317.162708 NA MeJP NA NA +MJ032203 Preskimmianine; N-Me C18H23NO4 317.162708 NA MeJP NA NA +MJ032204 Selaginoidine C18H23NO4 317.162708 NA MeJP NA NA +MJ032205 Stemonamine C18H23NO4 317.162708 NA MeJP NA NA +MJ032206 Wisanine, 4,5-Dihydro C18H23NO4 317.162708 NA MeJP NA NA +MJ032207 Zaidine C18H23NO4 317.162708 NA MeJP NA NA +3389 ACE inhibitor from alphas1-CN LW 317.163 celiac toxic Inhouse_peptide NA peptide +7544 ACE inhibitor IW 317.163 antioxidative Inhouse_peptide NA peptide +C13794 Pitrazepin C19H19N5 317.164 NA KEGG NA NA +MJ032208 Pitrazepin C19H19N5 317.164045 NA MeJP NA NA +PJ000277 GNK C12H23N5O5 317.1699 NA PeJP NA NA +PJ000278 LW C17H23N3O3 317.174 NA PeJP NA NA +MJ032209 N-(1-Ethylhexahydro-1H-azepin-3-yl)-6-methoxy-1H-benzotriazole-5-carboxamide C16H23N5O2 317.185175 NA MeJP NA NA +MJ032210 4-[3-(5,6-Dihydro[2,3'-bipyridin]-3(4H)-ylidene)-1-propenyl]-N,N-dimethylbenzenamine C21H23N3 317.189197 NA MeJP NA NA +PJ000279 SVL C14H27N3O5 317.1951 NA PeJP NA NA +MJ032211 Glaucescine C19H27NO3 317.199093 NA MeJP NA NA +MJ032212 Glaucescinine C19H27NO3 317.199093 NA MeJP NA NA +MJ032213 Lobscurinol; Ac C19H27NO3 317.199093 NA MeJP NA NA +MJ032214 Nateglinide C19H27NO3 317.199093 NA MeJP NA NA +MJ032215 Protoemetine C19H27NO3 317.199093 NA MeJP NA NA +MJ032216 Tetrabenazine C19H27NO3 317.199093 NA MeJP NA NA +MJ032217 Trigamine C19H27NO3 317.199093 NA MeJP NA NA +C11168 Tetrabenazine C19H27NO3 317.1991 NA KEGG NA NA +C11816 Protoemetine C19H27NO3 317.1991 NA KEGG NA NA +C12508 Nateglinide C19H27NO3 317.1991 NA KEGG NA NA +C12509 Transferred to D01112 C19H27NO3 317.1991 NA KEGG NA NA +C12510 Transferred to D01113 C19H27NO3 317.1991 NA KEGG NA NA +C12511 Transferred to D01114 C19H27NO3 317.1991 NA KEGG NA NA +MJ032218 Mayfoline; N-Deoxy, N-Ac C18H27N3O2 317.210327 NA MeJP NA NA +MJ032219 Butenafine C23H27N 317.214349 NA MeJP NA NA +C08067 Butenafine C23H27N 317.2144 NA KEGG NA NA +MJ032220 Drofenine C20H31NO2 317.235479 NA MeJP NA NA +MJ032221 Himgaline C20H31NO2 317.235479 NA MeJP NA NA +MJ032222 Metcaraphen C20H31NO2 317.235479 NA MeJP NA NA +C15175 17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one C20H31NO2 317.2355 NA KEGG NA NA +C07811 Hexocyclium C20H33N2O 317.2593 NA KEGG NA NA +C07812 Transferred to D00688 C20H33N2O 317.2593 NA KEGG NA NA +MJ032223 2-Benzyl-3-hydroxy-1-methyl-5-nonylpyrrolidine C21H35NO 317.271864 NA MeJP NA NA +MJ032224 20-Aminopregn-5-en-3-ol C21H35NO 317.271864 NA MeJP NA NA +MJ032225 3-Aminopregn-5-en-20-ol C21H35NO 317.271864 NA MeJP NA NA +MJ032226 3-Aminopregnan-20-one C21H35NO 317.271864 NA MeJP NA NA +MJ032227 Amorolfine C21H35NO 317.271864 NA MeJP NA NA +MJ032228 Irnigaine C21H35NO 317.271864 NA MeJP NA NA +MJ032229 Irniine, 2''-Methoxy C21H35NO 317.271864 NA MeJP NA NA +C10806 Funtumine C21H35NO 317.2719 NA KEGG NA NA +MJ032230 Dasycarpine C20H35N3 317.283098 NA MeJP NA NA +MJ032231 Ormosanine C20H35N3 317.283098 NA MeJP NA NA +MJ032232 Piptanthine C20H35N3 317.283098 NA MeJP NA NA +MJ032233 Templetine C20H35N3 317.283098 NA MeJP NA NA +C10777 (-)-Ormosanine C20H35N3 317.2831 NA KEGG NA NA +C10779 Piptanthine C20H35N3 317.2831 NA KEGG NA NA +C10786 Templetine C20H35N3 317.2831 NA KEGG NA NA +MJ032234 2-Amino-1,3,4-octadecanetriol C18H39NO3 317.292994 NA MeJP NA NA +MetaCyc02814 4-hydroxysphinganine [PHS;phytosphingosine;] C18H39N1O3 317.292994 NA metacyc NA NA +HMDB04610 Phytosphingosine C18H39NO3 317.292999 NA HMDB2010 NA NA +HMDB04610 Phytosphingosine C18H39NO3 317.293 http://www.hmdb.ca/metabolites/HMDB04610 HMDB NA NA +C12144 Phytosphingosine C18H39NO3 317.293 NA KEGG NA NA +C12145 Phytoceramide C19H38NO4R 317.293 NA KEGG NA NA +C12146 C26-CoA C22H35N7O17P3SR 317.293 NA KEGG NA NA +HMDB04610 Phytosphingosine C18H39NO3 317.293 HMDB04610 PFEM_hmdb_metabocards_official NA NA +7694 ACE inhibitor from wakame YKYY 317.6415 MH2+ Inhouse_peptide NA peptide +2712 erythromycin inhibitor MKLNM 317.65085 MH2+ Inhouse_peptide NA peptide +MJ032235 7-Bromo-5,6,8-trichloro-6-methyl-1,4-octadien-3-one C9H10BrCl3O 317.89806 NA MeJP NA NA +MJ032236 Tiludronic acid C7H9ClO6P2S 317.928359 NA MeJP NA NA +C08141 Tiludronic acid C7H9ClO6P2S 317.9284 NA KEGG NA NA +C17106 Mertensene C10H14BrCl3 317.9344 NA KEGG NA NA +C17109 Plocamene C C10H14BrCl3 317.9344 NA KEGG NA NA +MJ032237 3-(Bromomethyl)-2,3,6-trichloro-7-methyl-1,6-octadiene C10H14BrCl3 317.934446 NA MeJP NA NA +MJ032238 4-Bromo-1,5-dichloro-2-chloroethenyl-1,5-dimethylcyclohexane C10H14BrCl3 317.934446 NA MeJP NA NA +MJ032239 4-Bromo-1,6,8-trichloro-2-ochtodene C10H14BrCl3 317.934446 NA MeJP NA NA +MJ032240 6-Bromo-1,2,8-trichloro-3-ochtodene C10H14BrCl3 317.934446 NA MeJP NA NA +MJ032241 6-Bromo-1,4,8-trichloro-2-ochtodene C10H14BrCl3 317.934446 NA MeJP NA NA +MJ032242 Mertensene C10H14BrCl3 317.934446 NA MeJP NA NA +MJ032243 Plocamene C C10H14BrCl3 317.934446 NA MeJP NA NA +MJ032244 Telfairine C10H14BrCl3 317.934446 NA MeJP NA NA +MJ032245 1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane C14H10Cl4 317.953661 NA MeJP NA NA +MJ032246 Mitotane C14H10Cl4 317.953661 NA MeJP NA NA +C06636 1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane C14H10Cl4 317.9537 NA KEGG NA NA +C14714 2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane C14H10Cl4 317.9537 NA KEGG NA NA +MJ032247 5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether, 6-O-sulfate C11H10O9S 318.004552 NA MeJP NA NA +MJ032248 5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether, 8-O-sulfate C11H10O9S 318.004552 NA MeJP NA NA +MJ032249 Diaporthin, 3',3'-Dichloro C13H12Cl2O5 318.006178 NA MeJP NA NA +MJ032250 Aplysinopsin; 6-Bromo, 2'-N-de-Me C13H11BrN4O 318.011623 NA MeJP NA NA +MJ032251 Aplysinopsin; 6-Bromo, 4'-N-de-Me C13H11BrN4O 318.011623 NA MeJP NA NA +MJ032252 5-Chloro-3-(phenylthio)-1H-indole-2-carboxamide; S-Oxide C15H11ClN2O2S 318.022976 NA MeJP NA NA +MJ032253 1-Chloro-2,4,5-trihydroxy-7-methylanthraquinone; 5-Me ether C16H11ClO5 318.029501 NA MeJP NA NA +MJ032254 2-Chloro-1,3,8-trihydroxy-6-methylanthraquinone; 3-Me ether C16H11ClO5 318.029501 NA MeJP NA NA +MJ032255 2-Chloro-1,3,8-trihydroxy-6-methylanthraquinone; 8-Me ether C16H11ClO5 318.029501 NA MeJP NA NA +MJ032256 4'-Chlorodiazepam C16H12Cl2N2O 318.032668 NA MeJP NA NA +MJ032257 Cloroqualone C16H12Cl2N2O 318.032668 NA MeJP NA NA +MJ032258 3-Deoxy-D-manno-octulosonate 8-phosphate C8H15O11P 318.035197 NA MeJP NA NA +MetaCyc02815 3-deoxy-D-manno-octulosonate 8-P [3-deoxy-D-manno-octulosonate 8-phosphate;2-dehydro-3-deoxy-D-octonate 8-P;2-dehydro-3-deoxy-D-octonate 8-phosphate;KDO-8P;] C8H15O11P1 318.035198 NA metacyc NA NA +C04478 3-Deoxy-D-manno-octulosonate 8-phosphate C8H15O11P 318.0352 NA KEGG NA NA +JH217 Myricetin [M+H]+ C15H10O8 318.037 15.78 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH217 Myricetin [M+H]+ C15H10O8 318.037 15.78 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH217 Myricetin [M+H]+ C15H10O8 318.037 15.78 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH217 Myricetin [M+H]+ C15H10O8 318.037 15.78 Inhousejuil11 NA NA +FL3FGCNS0015 5,6,7,8,3',4'-Hexahydroxyflavone;Bitalgenin;Bitalosidin;Majoranetin;Nornobiletin;2-(3,4-Dihydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one C15H10O8 318.03756 2192-25-8 knapsack NA NA +FL5F9GNS0001 3,5,8,3',4',5'-Hexahydroxyflavone C15H10O8 318.03756 90332-28-8 knapsack NA NA +FL5FAGNS0001 Myricetin C15H10O8 318.03756 529-44-2 knapsack NA NA +FL5FALNS0007 5'-Hydroxymorin C15H10O8 318.03756 37751-25-0 knapsack NA NA +FL5FECNS0002 Quercetagetin C15H10O8 318.03756 90-18-6 knapsack NA NA +FL5FFCNS0001 Gossypetin C15H10O8 318.03756 489-35-0 knapsack NA NA +FLIIACNM0001 Norwedelic acid;5,6-Dihydroxy-2-(2',4',6'-trihydroxyphenyl)benzofuran-3-carboxylic acid C15H10O8 318.03756 100288-12-8 knapsack NA NA +HMDB02755 Myricetin C15H10O8 318.037567 NA HMDB2010 NA NA +MJ032259 1,2,3,4,5,6-Hexahydroxy-7-methylanthraquinone C15H10O8 318.037567 NA MeJP NA NA +MJ032260 1,2,5,6,8-Pentahydroxy-3-hydroxymethylanthraquinone C15H10O8 318.037567 NA MeJP NA NA +MJ032261 2',3,4',5,5',7-Hexahydroxyflavone C15H10O8 318.037567 NA MeJP NA NA +MJ032262 2',4',5,5',6,7-Hexahydroxyflavone C15H10O8 318.037567 NA MeJP NA NA +MJ032263 2,4,7-Trihydroxy-5-methyl-1,8-naphthalenedicarboxylic acid; Anhydride, 6-O-methoxycarbonyl C15H10O8 318.037567 NA MeJP NA NA +MJ032264 3',4',5,5',7,8-Hexahydroxyflavone C15H10O8 318.037567 NA MeJP NA NA +MJ032265 3,3',4',5,5',7-Hexahydroxyflavone C15H10O8 318.037567 NA MeJP NA NA +MJ032266 3,3',4',5,5',8-Hexahydroxyflavone C15H10O8 318.037567 NA MeJP NA NA +MJ032267 3,3',4',5,6,7-Hexahydroxyflavone C15H10O8 318.037567 NA MeJP NA NA +MJ032268 3,3',4',5,7,8-Hexahydroxyflavone C15H10O8 318.037567 NA MeJP NA NA +MJ032269 3,4,6,8-Tetrahydroxyxanthone-1-carboxylic acid; 6-Me ether C15H10O8 318.037567 NA MeJP NA NA +MJ032270 Lateropyrone C15H10O8 318.037567 NA MeJP NA NA +MJ032271 Norwedelic acid C15H10O8 318.037567 NA MeJP NA NA +MJ032272 Rhodocladonic acid C15H10O8 318.037567 NA MeJP NA NA +MetaCyc02816 myricetin [] C15H10O8 318.037567 NA metacyc NA NA +MetaCyc02817 3,3',4',5,7,8-hexahydroxyflavone [2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-chromen-4-one;] C15H10O8 318.037567 NA metacyc NA NA +HMDB02755 Myricetin C15H10O8 318.03757 http://www.hmdb.ca/metabolites/HMDB02755 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02755 Myricetin C15H10O8 318.03757 http://www.hmdb.ca/metabolites/HMDB02755 HMDB NA NA +HMDB02755 Myricetin C15H10O8 318.03757 http://www.hmdb.ca/metabolites/HMDB02755 PFEM_hmdb_metabocards_blood NA blood +HMDB02755 Myricetin C15H10O8 318.03757 HMDB02755 PFEM_hmdb_metabocards_official NA NA +C04109 3,3',4',5,7,8-Hexahydroxyflavone C15H10O8 318.0376 NA KEGG NA NA +C10107 Myricetin C15H10O8 318.0376 NA KEGG NA NA +C10122 Quercetagetin C15H10O8 318.0376 NA KEGG NA NA +MJ032273 Haemofluorone B C19H10O5 318.052823 NA MeJP NA NA +MJ032274 2,2-Dichlorovinyl methyl octyl phosphate C11H21Cl2O4P 318.055451 NA MeJP NA NA +MJ032275 Flutemazepam C16H12ClFN2O2 318.057133 NA MeJP NA NA +C07488 DMPP C12H19N2 318.0593 NA KEGG NA NA +MJ032276 Clotiazepam C16H15ClN2OS 318.059361 NA MeJP NA NA +HMDB04068 Melanin C18H10N2O4 318.064056 NA HMDB2010 NA NA +MJ032277 Prekinamycin C18H10N2O4 318.064056 NA MeJP NA NA +HMDB04068 Melanin C18H10N2O4 318.06406 http://www.hmdb.ca/metabolites/HMDB04068 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04068 Melanin C18H10N2O4 318.06406 http://www.hmdb.ca/metabolites/HMDB04068 HMDB NA NA +HMDB04068 Melanin C18H10N2O4 318.06406 http://www.hmdb.ca/metabolites/HMDB04068 PFEM_hmdb_metabocards_blood NA blood +HMDB04068 Melanin C18H10N2O4 318.06406 HMDB04068 PFEM_hmdb_metabocards_official NA NA +C12393 Prekinamycin C18H10N2O4 318.0641 NA KEGG NA NA +MJ032278 Losmiprofen C17H15ClO4 318.065886 NA MeJP NA NA +MJ032279 5-Hydroxyuridine; 5-O-(Carboxymethyl) C11H14N2O9 318.06993 NA MeJP NA NA +MJ032280 Uridine-5-acetic acid; 1''S-Hydroxy C11H14N2O9 318.06993 NA MeJP NA NA +HMDB01941 Brompheniramine C16H19BrN2 318.07315 http://www.hmdb.ca/metabolites/HMDB01941 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01941 Brompheniramine C16H19BrN2 318.07315 http://www.hmdb.ca/metabolites/HMDB01941 HMDB NA NA +HMDB01941 Brompheniramine C16H19BrN2 318.07315 http://www.hmdb.ca/metabolites/HMDB01941 PFEM_hmdb_metabocards_blood NA blood +HMDB01941 Brompheniramine C16H19BrN2 318.07315 HMDB01941 PFEM_hmdb_metabocards_official NA NA +HMDB01941 Brompheniramine C16H19BrN2 318.073151 NA HMDB2010 NA NA +MJ032281 Brompheniramine C16H19BrN2 318.073161 NA MeJP NA NA +MJ032282 Festuclavine; 2-Bromo C16H19BrN2 318.073161 NA MeJP NA NA +MJ032283 Flustramine C C16H19BrN2 318.073161 NA MeJP NA NA +C06857 Brompheniramine C16H19BrN2 318.0732 NA KEGG NA NA +C06858 Transferred to D00246 C16H19BrN2 318.0732 NA KEGG NA NA +C06859 Transferred to D00247 C16H19BrN2 318.0732 NA KEGG NA NA +CJneg0517 Methylinosine [(M+Cl)]- C11H14ClN4O5 318.073625 C18rt(min)=4.45 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0517 Methylinosine [(M+Cl)]- C11H14ClN4O5 318.073625 C18rt(min)=4.45 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +HMDB02937 Tamarixetin C16H14O7 318.07394 http://www.hmdb.ca/metabolites/HMDB02937 HMDB NA NA +HMDB02937 Tamarixetin C16H14O7 318.07394 HMDB02937 PFEM_hmdb_metabocards_official NA NA +HMDB02937 Tamarixetin C16H14O7 318.073944 NA HMDB2010 NA NA +FL2FE8NS0002 5,7,2',5'-Tetrahydroxy-6-methoxyflavanone C16H14O7 318.07395 81524-09-6 knapsack NA NA +FL2FECNS0005 6-Methoxyeriodictyol C16H14O7 318.07395 96681-58-2 knapsack NA NA +FL2FFCNS0003 8-Methoxyeriodictyol C16H14O7 318.07395 120216-93-5 knapsack NA NA +FL2FFCNS0004 8-Hydroxyhesperetin;5,7,8,3'-Tetrahydroxy-4'-methoxyflavanone C16H14O7 318.07395 460090-60-2 knapsack NA NA +FL4D1GNS0002 Sepinol C16H14O7 318.07395 72061-63-3 knapsack NA NA +FL4D3CNS0003 8-Methoxyfustin C16H14O7 318.07395 38510-53-1 knapsack NA NA +FL4DA8NS0003 3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone C16H14O7 318.07395 - knapsack NA NA +FL4DA8NS0006 3,5,2',3'-Tetrahydroxy-7-methoxyflavanone C16H14O7 318.07395 188440-68-8 knapsack NA NA +FL4DACNM0001 6-Methoxytaxifolin;3,5,7,3',4'-Pentahydroxy-6-methylflavanone;Cedeodarin C16H14O7 318.07395 31076-39-8 knapsack NA NA +FL4DACNM0002 Deodarin C16H14O7 318.07395 33788-39-5 knapsack NA NA +FL4DADNS0001 Dihydroisorhamnetin C16H14O7 318.07395 55812-91-4 knapsack NA NA +FL4DAENS0001 Taxifolin 4'-methyl ether C16H14O7 318.07395 70411-27-7 knapsack NA NA +FL4DBCNS0001 Taxifolin 5-methyl ether C16H14O7 318.07395 139493-38-2 knapsack NA NA +FL4DCCNS0001 Padmatin C16H14O7 318.07395 80453-44-7 knapsack NA NA +FL4DCCNS0002 Epipadmatin;(2R,3S)-3,5,3',4'-Tetrahydroxy-7-methoxyflavanone C16H14O7 318.07395 140694-62-8 knapsack NA NA +FL4DDCNS0001 Taxifolin 3-methyl ether C16H14O7 318.07395 - knapsack NA NA +FL4DEANS0002 3,5,7,4'-Tetrahydroxy-6-methoxyflavanone C16H14O7 318.07395 130926-73-7 knapsack NA NA +FL4DFANS0001 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone C16H14O7 318.07395 98006-94-1 knapsack NA NA +FLIBHXNS0001 Bolusanthin;3,5,7,3'-Tetrahydroxy-4'-methoxyisoflavone C16H14O7 318.07395 99365-26-1 knapsack NA NA +MJ032284 1,2,3,4,5-Pentahydroxyxanthone; 3,4,5-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032285 1,2,3,4,7-Pentahydroxyxanthone; 2,3,4-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032286 1,2,3,4,7-Pentahydroxyxanthone; 2,4,7-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032287 1,2,3,4,8-Pentahydroxyxanthone; 1,2,4-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032288 1,2,3,5,7-Pentahydroxyxanthone; 2,3,7-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032289 1,2,3,6,8-Pentahydroxyxanthone; 1,2,3-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032290 1,2,3,6,8-Pentahydroxyxanthone; 1,2,8-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032291 1,2,3,6,8-Pentahydroxyxanthone; 2,3,6-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032292 1,2,3,7,8-Pentahydroxyxanthone; 2,3,7-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032293 1,2,4,5,6-Pentahydroxyxanthone; 2,5,6-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032294 1,2,4,6,8-Pentahydroxyxanthone; 1,2,4-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032295 1,2,4,6,8-Pentahydroxyxanthone; 1,4,6-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032296 1,2,5,6,8-Pentahydroxyxanthone; 1,2,5-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032297 1,2,5,6,8-Pentahydroxyxanthone; 1,5,6-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032298 1,3,4,5,8-Pentahydroxyxanthone; 3,4,5-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032299 1,3,4,5,8-Pentahydroxyxanthone; 4,5,8-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032300 1,3,4,6,8-Pentahydroxyxanthone; 3,4,6-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032301 1,3,4,6,8-Pentahydroxyxanthone; 4,6,8-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032302 1,3,5,6,7-Pentahydroxyxanthone; 1,5,7-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032303 1,3,5,6,7-Pentahydroxyxanthone; 3,5,6-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032304 1,3,5,6,7-Pentahydroxyxanthone; 3,5,7-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032305 1,3,5,6,7-Pentahydroxyxanthone; 3,6,7-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032306 1,3,5,6,7-Pentahydroxyxanthone; 5,6,7-Tri-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032307 1,5,10-Trihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-6,9-dione; 1-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032308 2',3',4,4',6,7-Hexahydroxyisoflavan, 6,7-Methylene ether C16H14O7 318.073952 NA MeJP NA NA +MJ032309 2',3,3',5,7-Pentahydroxyflavanone, 7-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032310 2',3,4',5,7-Pentahydroxyisoflavanone, 4'-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032311 2',3,5,5',7-Pentahydroxyflavanone, 5'-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032312 2',4,6,6'-Tetrahydroxy-4'-methylbenzophenone-2-carboxylic acid; Me ester C16H14O7 318.073952 NA MeJP NA NA +MJ032313 2',5,5',6,7-Pentahydroxyflavanone, 6-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032314 3',4',5,6,7-Pentahydroxyflavanone, 6-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032315 3',4',5,6,7-Pentahydroxyflavanone, 7-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032316 3',4',5,7,8-Pentahydroxyflavanone, 8-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032317 3,3',4',5',7-Pentahydroxyflavanone, 4'-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032318 3,3',4',5,7-Pentahydroxy-6-methylflavanone C16H14O7 318.073952 NA MeJP NA NA +MJ032319 3,3',4',5,7-Pentahydroxy-8-methylflavanone C16H14O7 318.073952 NA MeJP NA NA +MJ032320 3,3',4',5,7-Pentahydroxyflavanone, 3'-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032321 3,3',4',5,7-Pentahydroxyflavanone, 3-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032322 3,3',4',5,7-Pentahydroxyflavanone, 4'-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032323 3,3',4',5,7-Pentahydroxyflavanone, 7-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032324 3,3',4',5,7-Pentahydroxyisoflavanone; 4'-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032325 3,3',4',7,8-Pentahydroxyflavanone, 8-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032326 3,3'-Oxybis[4-hydroxybenzoic acid]; Di-Me ester C16H14O7 318.073952 NA MeJP NA NA +MJ032327 3,4',5,6,7-Pentahydroxyflavanone, 6-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032328 3,4',5,7,8-Pentahydroxyflavanone, 8-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032329 3,4,7,9-Tetrahydroxy-1-methyl-6H-dibenzo[b,d]pyran-6-one; 1'-Hydroxy, 3,9-di-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032330 3-(3,4-Dihydroxybenzyl)-5,6,7-trihydroxy-4-chromanone C16H14O7 318.073952 NA MeJP NA NA +MJ032331 3-(3,4-Dihydroxybenzyl)-5,7,8-trihydroxy-4-chromanone C16H14O7 318.073952 NA MeJP NA NA +MJ032332 5,5'-Oxybis[2-hydroxybenzoic acid]; Di-Me ester C16H14O7 318.073952 NA MeJP NA NA +MJ032333 5,7,8,10-Tetrahydroxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-6,9-dione, 8-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032334 Botrallin C16H14O7 318.073952 NA MeJP NA NA +MJ032335 Graphislactone D; O4-De-Me C16H14O7 318.073952 NA MeJP NA NA +MJ032336 Isolecanoric acid C16H14O7 318.073952 NA MeJP NA NA +MJ032337 Juglomycin D; 3-Deoxy, 2'-Ac C16H14O7 318.073952 NA MeJP NA NA +MJ032338 Lecanoric acid C16H14O7 318.073952 NA MeJP NA NA +MJ032339 Mycochromone C16H14O7 318.073952 NA MeJP NA NA +MJ032340 Nanaomycin E C16H14O7 318.073952 NA MeJP NA NA +MJ032341 Nectriafurone; 8-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032342 Nidulalin A; 12-Hydroxy C16H14O7 318.073952 NA MeJP NA NA +MJ032343 Semiviriditoxic acid C16H14O7 318.073952 NA MeJP NA NA +MJ032344 Sydowinol C16H14O7 318.073952 NA MeJP NA NA +MJ032345 Ventilone C; 8-Me ether C16H14O7 318.073952 NA MeJP NA NA +MJ032346 Ventiloquinone M C16H14O7 318.073952 NA MeJP NA NA +MetaCyc02818 orsellinate depside [] C16H14O7 318.073953 NA metacyc NA NA +MetaCyc02819 desmethylsulochrin [] C16H14O7 318.073953 NA metacyc NA NA +C02868 Orsellinate depside C16H14O7 318.074 NA KEGG NA NA +C02869 Oxidized flavodoxin C16H14O7 318.074 NA KEGG NA NA +C02871 Peptide L-aspartate C5H6N2O4R2 318.074 NA KEGG NA NA +C02872 Peptide diphthamide C14H23N6O3R2 318.074 NA KEGG NA NA +C02873 Peptide(Lys-, Arg-) C10H18N4O4R2 318.074 NA KEGG NA NA +C15504 Demethylsulochrin C16H14O7 318.074 NA KEGG NA NA +MJ032347 4-[2,2'-Bithiophen-5-yl]-3-butyn-1-ol; 3-Methylbutanoyl C17H18O2S2 318.074821 NA MeJP NA NA +MJ032348 2-Bromo-3-chloro-6,10-bisaboladiene C15H24BrCl 318.074991 NA MeJP NA NA +MJ032349 Atreleuton C16H15FN2O2S 318.083826 NA MeJP NA NA +C12398 8-O-Methyltetrangulol C20H14O4 318.0892 NA KEGG NA NA +C14286 Phenolphthalein C20H14O4 318.0892 NA KEGG NA NA +MJ032350 1,8-Dihydroxy-3-methylbenz[a]anthracene-7,12-dione; 8-Me ether C20H14O4 318.089208 NA MeJP NA NA +MJ032351 2-Hydroxy-9-phenyl-1H-phenalen-1-one; 3'-Methoxy, 4'-hydroxy C20H14O4 318.089208 NA MeJP NA NA +MJ032352 4,4',5,5'-Tetrahydroxy-1,1'-binaphthyl C20H14O4 318.089208 NA MeJP NA NA +MJ032353 8-Ethyl-1,11-dihydroxy-5,12-naphthacenedione C20H14O4 318.089208 NA MeJP NA NA +MJ032354 Anigozanthin C20H14O4 318.089208 NA MeJP NA NA +MJ032355 Betulinan B C20H14O4 318.089208 NA MeJP NA NA +MJ032356 Haemodorin C20H14O4 318.089208 NA MeJP NA NA +MJ032357 Palmarumycin CP1; 2,3-Dihydro C20H14O4 318.089208 NA MeJP NA NA +MJ032358 Phenolphthalein C20H14O4 318.089208 NA MeJP NA NA +MJ032359 Xestoquinone C20H14O4 318.089208 NA MeJP NA NA +MJ032360 Diclometide C14H20Cl2N2O2 318.090183 NA MeJP NA NA +MJ032361 5-(Hydroxymethyl)-1,2,3-benzenetriol; 2-O-?-D-Glucopyranoside C13H18O9 318.095082 NA MeJP NA NA +C06906 Chlorpromazine C17H19ClN2S 318.0957 NA KEGG NA NA +C06907 Transferred to D00271 C17H19ClN2S 318.0957 NA KEGG NA NA +C06908 Transferred to D00272 C17H19ClN2S 318.0957 NA KEGG NA NA +MJ032362 Chlorpromazine C17H19ClN2S 318.095747 NA MeJP NA NA +MJ032363 Secofascaplysin A C19H14N2O3 318.100442 NA MeJP NA NA +MJ032364 Pazufloxacin C16H15FN2O4 318.101585 NA MeJP NA NA +MJ032365 Beclobrinic acid C18H19ClO3 318.102272 NA MeJP NA NA +C17456 Paeonilactone C C17H18O6 318.1103 NA KEGG NA NA +FL2FQUNM0003 Protofarrerol C17H18O6 318.11033 24211-29-8 knapsack NA NA +FL63AFNS0001 Epicatechin 3',4'-dimethyl ether C17H18O6 318.11033 97914-17-5 knapsack NA NA +FL63BDNS0001 Epicatechin 5,3'-dimethyl ether C17H18O6 318.11033 97914-18-6 knapsack NA NA +FL63CENS0001 Catechin 7,4'-dimethyl ether C17H18O6 318.11033 105330-66-3 knapsack NA NA +FLIC2LNS0001 Bryaflavan;6,7,3'-Trihydroxy-2',4'-dimethoxyisoflavan C17H18O6 318.11033 55306-19-9 knapsack NA NA +FLIC3LNS0001 8-Demethylduartin;7,8,3'-Trihydroxy-2',4'-dimethoxyisoflavan C17H18O6 318.11033 50439-57-1 knapsack NA NA +MJ032366 1-Hydroxy-4,7(11),9-germacratriene-12,8:15,6-olide, Ac C17H18O6 318.110338 NA MeJP NA NA +MJ032367 2',3',4',6,7-Pentahydroxyisoflavan, 2',4'-Di-Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032368 2',3',4',7,8-Pentahydroxyisoflavan, 2',4'-Di-Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032369 2,3-Dihydro-5,6,8-trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one, 10-Methoxy, 6,8-di-Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032370 3,3',4',5,7-Pentahydroxyflavan, 3',4'-Di-Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032371 3,3',4',5,7-Pentahydroxyflavan, 3',5-Di-Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032372 3,3',4',5,7-Pentahydroxyflavan, 4',7-Di-Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032373 3-(3,4-Dihydroxybenzyl)-3,4,7-chromantriol, 3'-Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032374 3-(3,4-Dihydroxybenzyl)-3,4,7-chromantriol, 4-Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032375 3-(3,4-Dihydroxybenzyl)-3,4,7-chromantriol, 3'-Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032376 3-(3,4-Dihydroxybenzyl)-3,4,7-chromantriol, 4-Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032377 3-Hydroxy-1(10),4,11(13)-germacratriene-12,8:15,6-diolide, Ac C17H18O6 318.110338 NA MeJP NA NA +MJ032378 3-[(3,4-Dihydroxyphenyl)methyl]-3,4-dihydro-4-methoxy-2H-1-benzopyran-3,7-diol C17H18O6 318.110338 NA MeJP NA NA +MJ032379 5,6,7,8-Tetrahydro-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)chromone C17H18O6 318.110338 NA MeJP NA NA +MJ032380 5-Acetyl-2,3-dihydro-3-hydroxy-2-[1-(hydroxymethyl)ethenyl]benzofuran, Di-Ac C17H18O6 318.110338 NA MeJP NA NA +MJ032381 5-Acetyloxy-5,6-dihydro-4,6-dimethoxy-6-(2-phenylethenyl)-2H-pyran-2-one C17H18O6 318.110338 NA MeJP NA NA +MJ032382 6-Methoxy-5-(3-methyl-2-butenyl)-2H-furo[2,3-h][1]benzopyran-2-one; 2',3'-Dihydro, 2',3'-dihydroxy C17H18O6 318.110338 NA MeJP NA NA +MJ032383 8,11:9,11-Diepoxy-1,4-dihydroxy-2-methoxy-8a-methyl-5,6,7,8,8a,9,10,10a-octahydro-10-anthracenone C17H18O6 318.110338 NA MeJP NA NA +MJ032384 8,12-Epoxy-1-hydroxy-5,7,9,11-germacratetraeaen-15,6-olide, 4?,5?-Epoxide, Ac C17H18O6 318.110338 NA MeJP NA NA +MJ032385 8,12-Epoxy-9-hydroxy-1(10),4,7,11-germacratetraen-15,6-olide, 1?,10?-Epoxide, Ac C17H18O6 318.110338 NA MeJP NA NA +MJ032386 8,12-Epoxy-9-hydroxy-1(10),4,7,11-germacratetraen-15,6-olide, 4?,5?-Epoxide, Ac C17H18O6 318.110338 NA MeJP NA NA +MJ032387 8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Ac C17H18O6 318.110338 NA MeJP NA NA +MJ032388 8-(1-Hydroxy-2-oxo-3-methylbutyl)-7-methoxy-2H-1-benzopyran-2-one, O-Ac C17H18O6 318.110338 NA MeJP NA NA +MJ032389 8-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,2-diolide, Ac C17H18O6 318.110338 NA MeJP NA NA +MJ032390 9-(2,3-Dihydroxy-1,1-dimethylpropyl)-4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one C17H18O6 318.110338 NA MeJP NA NA +MJ032391 Albiflorin 1 C17H18O6 318.110338 NA MeJP NA NA +MJ032392 Alloisoimperatorin; 2',3'-Dihydro, 2',3'-dihydroxy, Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032393 Aviprin, 3'-Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032394 Clavilactone C; 13-Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032395 Elemiferone; 5-Methoxy C17H18O6 318.110338 NA MeJP NA NA +MJ032396 Eleutherin, 6-Hydroxy, 7-methoxy C17H18O6 318.110338 NA MeJP NA NA +MJ032397 Evofolin B C17H18O6 318.110338 NA MeJP NA NA +MJ032398 Germitorosone C17H18O6 318.110338 NA MeJP NA NA +MJ032399 Goniodiol; Di-Ac C17H18O6 318.110338 NA MeJP NA NA +MJ032400 Griseofulvin, 6'-Epimer, dechloro C17H18O6 318.110338 NA MeJP NA NA +MJ032401 Griseofulvin, Dechloro C17H18O6 318.110338 NA MeJP NA NA +MJ032402 Hamaudol, 3-Ac C17H18O6 318.110338 NA MeJP NA NA +MJ032403 Heraclenol3'-Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032404 Herbarin; Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032405 Kushecarpin A C17H18O6 318.110338 NA MeJP NA NA +MJ032406 Metasequirin A C17H18O6 318.110338 NA MeJP NA NA +MJ032407 Mollugin; 3,4-Dihydro, 3,4-dihydroxy C17H18O6 318.110338 NA MeJP NA NA +MJ032408 Murrangatin, 1'-O-Ac C17H18O6 318.110338 NA MeJP NA NA +MJ032409 Murrangatin, 2'-O-Ac C17H18O6 318.110338 NA MeJP NA NA +MJ032410 Mycochromenic acid C17H18O6 318.110338 NA MeJP NA NA +MJ032411 Paeoniflorigenone C17H18O6 318.110338 NA MeJP NA NA +MJ032412 Paeonilactone A; 9-(Benzoyloxy) C17H18O6 318.110338 NA MeJP NA NA +MJ032413 Paeonilide C17H18O6 318.110338 NA MeJP NA NA +MJ032414 Pandoxide C17H18O6 318.110338 NA MeJP NA NA +MJ032415 Phellopterin; 2',3'-Dihydro, 2'-hydroxy C17H18O6 318.110338 NA MeJP NA NA +MJ032416 Protofarrerol C17H18O6 318.110338 NA MeJP NA NA +MJ032417 Protosappanin B; 10-Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032418 Thamontanin; 1'-Deoxy C17H18O6 318.110338 NA MeJP NA NA +MJ032419 Ventiloquinone G; 5,7-Di-Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032420 Ventiloquinone I; 8-Me ether C17H18O6 318.110338 NA MeJP NA NA +MJ032421 Calliactine C18H14N4O2 318.111675 NA MeJP NA NA +MJ032422 Pandangolide 2 C14H22O6S 318.113709 NA MeJP NA NA +MJ032423 Tebupirimfos C13H23N2O3PS 318.116699 NA MeJP NA NA +PJ000280 GNE C11H18N4O7 318.1176 NA PeJP NA NA +MJ032424 Citatepine C20H18N2S 318.119069 NA MeJP NA NA +3494 ACE inhibitor from sake HY 318.121 ACE inhibitor Inhouse_peptide NA peptide +MJ032425 9-(2-Thienyl)-6-nonen-8-yn-3-one, 4-(3-Methylbutanoyloxy) C18H22O3S 318.128965 NA MeJP NA NA +MJ032426 9-(2-Thienyl)-6-nonen-8-yn-3-one, 5-(3-Methylbutanoyloxy) C18H22O3S 318.128965 NA MeJP NA NA +MJ032427 4-Hydroxy-4-(2-hydroxyethyl)-2-cyclohexen-1-one, 2'-O-?-D-Glucopyranoside C14H22O8 318.131467 NA MeJP NA NA +MJ032428 5,6-Dihydro-6-(2-hydroxypropyl)-2H-pyran-2-one, O-?-D-Glucopyranoside C14H22O8 318.131467 NA MeJP NA NA +MJ032429 6-Deoxy-3-C-methylgulose; ?-D-Pyranose-form, Me glycoside, tri-Ac C14H22O8 318.131467 NA MeJP NA NA +MJ032430 Musacine C C14H22O8 318.131467 NA MeJP NA NA +PJ000281 NW C15H18N4O4 318.1328 NA PeJP NA NA +MJ032431 Hydroxyluninium(1+) C17H20NO5 318.134147 NA MeJP NA NA +MJ032432 Streptindole C20H18N2O2 318.136827 NA MeJP NA NA +MJ032433 Xanthocillin X; 1'',2''-Dihydro, di-Me ether C20H18N2O2 318.136827 NA MeJP NA NA +MJ032434 Clomestrone C19H23ClO2 318.138657 NA MeJP NA NA +C09981 Zearalenone C18H22O5 318.1467 NA KEGG NA NA +MJ032435 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,3',4',5-Tetra-Me ether C18H22O5 318.146723 NA MeJP NA NA +MJ032436 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,3',4,5-Tetra-Me ether C18H22O5 318.146723 NA MeJP NA NA +MJ032437 1-(3,4-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)propane; 2',3'',4'-Tri-Me ether C18H22O5 318.146723 NA MeJP NA NA +MJ032438 3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 3-Propanoyl C18H22O5 318.146723 NA MeJP NA NA +MJ032439 5-Acetyl-2,3-dihydro-3-hydroxy-2-(1-hydroxyisopropyl)-7-(3-methyl-1-oxo-2-butenyl)benzofuran C18H22O5 318.146723 NA MeJP NA NA +MJ032440 6,12,13,19-Tetrahydroxy-5,8,11,13-podocarpatetraen-7-one; 12-Me ether C18H22O5 318.146723 NA MeJP NA NA +MJ032441 8-Hydroxy-3-oxo-1,4(15),11(13)-eudesmatrien-12-oic acid, 8-Ac, Me ester C18H22O5 318.146723 NA MeJP NA NA +MJ032442 Aposphaerin A; 8-Deoxy, O-de-Me, Et ester C18H22O5 318.146723 NA MeJP NA NA +MJ032443 Erianin C18H22O5 318.146723 NA MeJP NA NA +MJ032444 Furanoselwynone C18H22O5 318.146723 NA MeJP NA NA +MJ032445 Isofuranoselwynone C18H22O5 318.146723 NA MeJP NA NA +MJ032446 Laurycolactone A C18H22O5 318.146723 NA MeJP NA NA +MJ032447 Malabarolide B1 C18H22O5 318.146723 NA MeJP NA NA +MJ032448 Nordinone; 4,5-Didehydro C18H22O5 318.146723 NA MeJP NA NA +MJ032449 Octandrenolone; 9,10-Dihydro, 9?-hydroxy C18H22O5 318.146723 NA MeJP NA NA +MJ032450 Pinnaterin; 1''-Aldehyde, di-Me acetal C18H22O5 318.146723 NA MeJP NA NA +MJ032451 Pranferin C18H22O5 318.146723 NA MeJP NA NA +MJ032452 Tomentellin; ?3'(Z-),?7'-Isomer, O3-de-Me C18H22O5 318.146723 NA MeJP NA NA +MJ032453 Tomentellin; ?3'-Isomer(E-), O3-de-Me C18H22O5 318.146723 NA MeJP NA NA +MJ032454 Tomentellin; O3-De-Me C18H22O5 318.146723 NA MeJP NA NA +MJ032455 Zearalenone C18H22O5 318.146723 NA MeJP NA NA +2709 erythromycin inhibitor MSMRL 318.1489 MH2+ Inhouse_peptide NA peptide +MJ032456 Sulfoorientalol B C15H26O5S 318.150094 NA MeJP NA NA +MJ032457 Sulfoorientalol D C15H26O5S 318.150094 NA MeJP NA NA +PJ000282 ATQ C12H22N4O6 318.1539 NA PeJP NA NA +PJ000283 GDK C12H22N4O6 318.154 NA PeJP NA NA +C07571 Fluvoxamine C15H21F3N2O2 318.1555 NA KEGG NA NA +MJ032458 Fluvoxamine C15H21F3N2O2 318.155512 NA MeJP NA NA +MJ032459 Cyclo(seryltyrosyl), 4'-O-(3-Methyl-2-butenyl) C17H22N2O4 318.157957 NA MeJP NA NA +MJ032460 Tomaymycin; 11-Demethoxy, 11-ethoxy C17H22N2O4 318.157957 NA MeJP NA NA +PJ000284 GSR C11H22N6O5 318.1652 NA PeJP NA NA +MJ032461 1,2,3,4,9,14-Hexahydroxydihydro-?-agarofuran C15H26O7 318.167853 NA MeJP NA NA +MJ032462 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran C15H26O7 318.167853 NA MeJP NA NA +MJ032463 Apaxifylline C16H22N4O3 318.16919 NA MeJP NA NA +MJ032464 Eseramine C16H22N4O3 318.16919 NA MeJP NA NA +MJ032465 Tomelukast C16H22N4O3 318.16919 NA MeJP NA NA +C09170 Eseramine C16H22N4O3 318.1692 NA KEGG NA NA +3813 smooth muscles contracting peptide YVLSR 318.174 MH2+ Inhouse_peptide NA peptide +MJ032466 Robalzotan C18H23FN2O2 318.174356 NA MeJP NA NA +CJneg0518 Isovalerylglycine [(2M-H)]- C14H25N2O6 318.179625 C18rt(min)=5.2 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0518 Isovalerylglycine [(2M-H)]- C14H25N2O6 318.179625 C18rt(min)=5.2 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C14983 6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione C19H26O4 318.1831 NA KEGG NA NA +C15151 17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate C19H26O4 318.1831 NA KEGG NA NA +C15351 7alpha-Hydroxytestololactone C19H26O4 318.1831 NA KEGG NA NA +HMDB06709 Ubiquinone Q2 C19H26O4 318.183105 NA HMDB2010 NA NA +MJ032467 1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid, 1-[1-(4-Methylphenyl)ethyl] ester C19H26O4 318.183109 NA MeJP NA NA +MJ032468 1,9-Heptadecadiene-4,6-diyne-3,8-diol, 9,10-Epoxide, 8-Ac C19H26O4 318.183109 NA MeJP NA NA +MJ032469 1-Hydroxy-3,11(13)-eudesmadien-12,8-olide, 1-(2-Methylpropanoyl) C19H26O4 318.183109 NA MeJP NA NA +MJ032470 15,16-Epoxy-3,4-dihydroxy-19-nor-5(10),13(16),14-clerodatrien-12-one C19H26O4 318.183109 NA MeJP NA NA +MJ032471 15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 2-Methylpropanoyl C19H26O4 318.183109 NA MeJP NA NA +MJ032472 18-Hydroxy-3-nor-2,3-seco-13(16),14-spongiadien-2,4-olide C19H26O4 318.183109 NA MeJP NA NA +MJ032473 2,4,6-Trihydroxy-3,5-diprenylacetophenone; 2-Me ether C19H26O4 318.183109 NA MeJP NA NA +MJ032474 2-Hydroxy-16-nor-3-oxo-1,4(18)-erythroxyladien-15-oic acid C19H26O4 318.183109 NA MeJP NA NA +MJ032475 3,16-Dihydroxy-19-nor-3,8(14)-pimaradiene-2,15-dione; ent-form C19H26O4 318.183109 NA MeJP NA NA +MJ032476 3,16-Dihydroxyandrost-5-ene-7,17-dione C19H26O4 318.183109 NA MeJP NA NA +MJ032477 3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, 3-O-(3-Methoxy-2-propenoyl) (E-) C19H26O4 318.183109 NA MeJP NA NA +MJ032478 3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, 3-O-(3-Methoxy-2-propenoyl) (Z-) C19H26O4 318.183109 NA MeJP NA NA +MJ032479 3-Hydroxy-9,11-eremophiladien-8-one, O-(3-Methoxy-2-propenoyl) (E-) C19H26O4 318.183109 NA MeJP NA NA +MJ032480 3-Hydroxyfuranoeremophilan-9-one, 2-Methylpropanoyl C19H26O4 318.183109 NA MeJP NA NA +MJ032481 4,6,7-Trihydroxy-18-nor-16-kauren-19-oic acid, 19?6 Lactone C19H26O4 318.183109 NA MeJP NA NA +MJ032482 4-Hydroxy-3-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)benzoic acid; 4-Me ether, Me ester C19H26O4 318.183109 NA MeJP NA NA +MJ032483 4-Scirpenol, 2Z-Butenoyl C19H26O4 318.183109 NA MeJP NA NA +MJ032484 6-Hydroxyfuranoeremophilan-9-one, O-(2-Methylpropanoyl) C19H26O4 318.183109 NA MeJP NA NA +MJ032485 6-Hydroxyfuranoeremophilan-9-one, 2-Methylpropanoyl C19H26O4 318.183109 NA MeJP NA NA +MJ032486 8,12-Epoxy-1(10),7(11),8-eremophilatriene-6,12-diol, 6-Propanoyl, 12-Me ether C19H26O4 318.183109 NA MeJP NA NA +MJ032487 9,13-Epoxy-19-nor-6-oxo-4,7-labdadien-15-oic acid C19H26O4 318.183109 NA MeJP NA NA +MJ032488 9-Formyl-15-hydroxy-6,9,11,13-heptadecatetraenoic acid, Me ester, 15-ketone C19H26O4 318.183109 NA MeJP NA NA +MJ032489 9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-(2-Methylpropanoyl) C19H26O4 318.183109 NA MeJP NA NA +MJ032490 Atractyligenin; 2-Ketone C19H26O4 318.183109 NA MeJP NA NA +MJ032491 Cohulupone C19H26O4 318.183109 NA MeJP NA NA +MJ032492 Cupresol C19H26O4 318.183109 NA MeJP NA NA +MJ032493 Elisabanolide C19H26O4 318.183109 NA MeJP NA NA +MJ032494 Furanoeremophil-1(10)-ene-4,6-diol, 6-(2-Methylpropanoyl) C19H26O4 318.183109 NA MeJP NA NA +MJ032495 Furanoeremophilane-1,6-diol, 1-Ketone, 6-(2-methylpropanoyl) C19H26O4 318.183109 NA MeJP NA NA +MJ032496 Furanoeremophilane-2,10-diol, 2-(Methylpropenoyl) C19H26O4 318.183109 NA MeJP NA NA +MJ032497 Furanoeremophilane-3,6-diol, 3-(2-Methylpropenoyl) C19H26O4 318.183109 NA MeJP NA NA +MJ032498 Gingerdiones; [8]Gingerdione, 1,2-Didehydro C19H26O4 318.183109 NA MeJP NA NA +MJ032499 Isochromophilone III; 7,8a-Diepimer, dechloro C19H26O4 318.183109 NA MeJP NA NA +MJ032500 Isochromophilone III; Dechloro C19H26O4 318.183109 NA MeJP NA NA +MJ032501 Kyrsteniopsolide C19H26O4 318.183109 NA MeJP NA NA +MJ032502 Salvicanaraldehyde C19H26O4 318.183109 NA MeJP NA NA +MJ032503 Tomentellin; 5'-Deoxo C19H26O4 318.183109 NA MeJP NA NA +HMDB06709 Ubiquinone Q2 C19H26O4 318.18311 http://www.hmdb.ca/metabolites/HMDB06709 HMDB NA NA +HMDB06709 Ubiquinone Q2 C19H26O4 318.18311 HMDB06709 PFEM_hmdb_metabocards_official NA NA +PJ000285 ATK C13H26N4O5 318.1903 NA PeJP NA NA +MJ032504 Cypholophine C18H26N2O3 318.194342 NA MeJP NA NA +C03962 (-)-Menthyl O-beta-D-glucoside C16H30O6 318.2042 NA KEGG NA NA +C04165 (+)-Neomenthyl O-beta-D-glucoside C16H30O6 318.2042 NA KEGG NA NA +MJ032505 3,7-Dimethyl-6-octen-1-ol, O-?-D-Glucopyranoside C16H30O6 318.204238 NA MeJP NA NA +MJ032506 9,10-Dihydroxyhexadecanoic acid C16H30O6 318.204238 NA MeJP NA NA +MetaCyc02820 (-)-menthyl O-β-D-glucoside [] C16H30O6 318.204239 NA metacyc NA NA +MJ032507 Dalbraminol C17H26N4O2 318.205576 NA MeJP NA NA +HMDB01337 Leukotriene A4 C20H30O3 318.21948 http://www.hmdb.ca/metabolites/HMDB01337 HMDB NA NA +HMDB05081 5 HEPE C20H30O3 318.21948 http://www.hmdb.ca/metabolites/HMDB05081 HMDB NA NA +HMDB06027 Oxymesterone C20H30O3 318.21948 http://www.hmdb.ca/metabolites/HMDB06027 HMDB NA NA +HMDB01337 Leukotriene A4 C20H30O3 318.21948 HMDB01337 PFEM_hmdb_metabocards_official NA NA +HMDB05081 5 HEPE C20H30O3 318.21948 HMDB05081 PFEM_hmdb_metabocards_official NA NA +HMDB06027 Oxymesterone C20H30O3 318.21948 HMDB06027 PFEM_hmdb_metabocards_official NA NA +HMDB01337 Leukotriene A4 C20H30O3 318.219482 NA HMDB2010 NA NA +HMDB05081 5-HEPE C20H30O3 318.219482 NA HMDB2010 NA NA +HMDB06027 Oxymesterone C20H30O3 318.219482 NA HMDB2010 NA NA +HMDB10202 12-HEPE C20H30O3 318.219482 NA HMDB2010 NA NA +HMDB10205 14,15-EpETE C20H30O3 318.219482 NA HMDB2010 NA NA +HMDB10209 15-HEPE C20H30O3 318.219482 NA HMDB2010 NA NA +HMDB10210 15-KETE C20H30O3 318.219482 NA HMDB2010 NA NA +HMDB10212 17,18-EpETE C20H30O3 318.219482 NA HMDB2010 NA NA +HMDB10217 5-KETE C20H30O3 318.219482 NA HMDB2010 NA NA +HMDB13633 12-KETE C20H30O3 318.219482 NA HMDB2010 NA NA +MJ032508 Leukotriene A4 C20H30O3 318.219494 NA MeJP NA NA +MJ032509 1(19),6,13-Xenicatrien-17,18-olide; 10à H-form, 6?,7?-Epoxide C20H30O3 318.219494 NA MeJP NA NA +MJ032510 1,10-Epoxy-11-eremophilen-8-ol, Angeloyl C20H30O3 318.219494 NA MeJP NA NA +MJ032511 1,10-Epoxy-11-eremophilen-8-ol, Tigloyl C20H30O3 318.219494 NA MeJP NA NA +MJ032512 1,19-Dihydroxy-15-beyeren-2-one C20H30O3 318.219494 NA MeJP NA NA +MJ032513 1,2-Dihydroxy-12-cassen-11-one, 15,16-Didehydro C20H30O3 318.219494 NA MeJP NA NA +MJ032514 1,3,5,10-Bisabolatetraene-1,4-diol, 1-O-(3-Methylbutanoyl) C20H30O3 318.219494 NA MeJP NA NA +MJ032515 1,3,5,10-Farnesatetraene-7,9-diol, 9-Angeloyl C20H30O3 318.219494 NA MeJP NA NA +MJ032516 1,3-Dihydroxy-12,15-cassadien-11-one C20H30O3 318.219494 NA MeJP NA NA +MJ032517 1,4,6,10-Farnesatetraene-3,9-diol; 9-Angeloyl C20H30O3 318.219494 NA MeJP NA NA +MJ032518 1,4,6,10-Farnesatriene-3,8-diol; 8-Angeloyl C20H30O3 318.219494 NA MeJP NA NA +MJ032519 1,4-Dihydroxy-2,7(19),10,14-phytatetraen-13-one, 4-Ketone C20H30O3 318.219494 NA MeJP NA NA +MJ032520 1-(2,4,6-Trihydroxyphenyl)-9-tetradecen-1-one, 4'-Deoxy C20H30O3 318.219494 NA MeJP NA NA +MJ032521 1-(2,6-Dihydroxyphenyl)-4-methyl-4-tridecen-1-one C20H30O3 318.219494 NA MeJP NA NA +MJ032522 1-Hydroxy-2,6,11(18),14-phytatetraene-10,13-dione C20H30O3 318.219494 NA MeJP NA NA +MJ032523 1-Hydroxy-7(11)-eremophilen-8-one, 1-Angeloyl C20H30O3 318.219494 NA MeJP NA NA +MJ032524 1-Hydroxy-7,17-sacculatadien-12,11-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032525 1-Hydroxy-7,17-sacculatadiene-11,12-dial C20H30O3 318.219494 NA MeJP NA NA +MJ032526 10(14)-Oplopen-4-one; 2?-Angeloyloxy C20H30O3 318.219494 NA MeJP NA NA +MJ032527 10(20),15-Grayanotoxadiene-3,5,6-triol C20H30O3 318.219494 NA MeJP NA NA +MJ032528 10,11-Dihydroxy-5,15-rosadien-7-one C20H30O3 318.219494 NA MeJP NA NA +MJ032529 10,18-Epoxy-1(19),7,11,13-xenicatetraene-6,17-diol C20H30O3 318.219494 NA MeJP NA NA +MJ032530 10-Hydroxy-11-cyathen-13-one; 10?-form, 15-Hydroxy C20H30O3 318.219494 NA MeJP NA NA +MJ032531 10-Hydroxy-2-fusicoccene-8,12-dione; 10?-form C20H30O3 318.219494 NA MeJP NA NA +MJ032532 11,12-Epoxy-13-mulinen-20-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032533 11,12-Epoxy-5,7,9,14-eicosatetraenoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032534 11,15-Dihydroxy-16-kauren-3-one C20H30O3 318.219494 NA MeJP NA NA +MJ032535 11,15-Epoxy-15-hydroxy-4(18),12-clerodadien-16-al C20H30O3 318.219494 NA MeJP NA NA +MJ032536 11,15-Epoxy-15-hydroxy-8(17),12-labdadien-16-al C20H30O3 318.219494 NA MeJP NA NA +MJ032537 11,16-Epoxy-19-kauranoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032538 11-Hydroxy-12-spongien-16-one; 11?-form C20H30O3 318.219494 NA MeJP NA NA +MJ032539 11-Hydroxy-19-helvifulvanoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032540 11-Hydroxy-5,8,12,14,17-eicosapentaenoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032541 11-Hydroxy-5,8,12,14-eicosatetraenoic acid, 11-Ketone C20H30O3 318.219494 NA MeJP NA NA +MJ032542 11-Hydroxy-7,17-sacculatadien-12,11-olide; 11?-form C20H30O3 318.219494 NA MeJP NA NA +MJ032543 11-Hydroxy-8(17),13-labdadien-15,16-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032544 11-Hydroxy-8,15-isopimaradien-7-one; 11?-form, 15?,16-Epoxide C20H30O3 318.219494 NA MeJP NA NA +MJ032545 12,13-Epoxy-8(17),14-labdadien-19-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032546 12-Hydroxy-15-kauren-19-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032547 12-Hydroxy-16-kauren-19-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032548 12-Hydroxy-5,8,10,14,17-eicosapentaenoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032549 12-Hydroxy-5,8,10,14-eicosatetraenoic acid, 12-Oxo C20H30O3 318.219494 NA MeJP NA NA +MJ032550 12-Hydroxy-7,13-abietadien-18-oic acid; 12?-form C20H30O3 318.219494 NA MeJP NA NA +MJ032551 12-Hydroxy-7,13-labdadien-15,16-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032552 12-Oxo-3,13(16)-clerodadien-15-oic acid; ent-form C20H30O3 318.219494 NA MeJP NA NA +MJ032553 12-Oxo-8,13(16)-labdadien-15-oic acid; ent-form C20H30O3 318.219494 NA MeJP NA NA +MJ032554 13-Hydroxy-16-kauren-19-oic acid; ent-form C20H30O3 318.219494 NA MeJP NA NA +MJ032555 13-Hydroxy-7-oxo-8(14)-abieten-19-al; 13?-form C20H30O3 318.219494 NA MeJP NA NA +MJ032556 14,15-Epoxy-5,8,10,12-eicosatetraenoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032557 14-Hydroxy-7,15-isopimaradien-18-oic acid; 14?-form C20H30O3 318.219494 NA MeJP NA NA +MJ032558 14-Hydroxy-8(17),12-labdadien-16,15-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032559 14-Oxo-15-isopimaren-18-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032560 14-Serrulatene-2,7,8,20-tetrol; 2?-form, 2-Deoxy C20H30O3 318.219494 NA MeJP NA NA +MJ032561 14-Serrulatene-2,7,8,20-tetrol; 2?-form, 7-Deoxy C20H30O3 318.219494 NA MeJP NA NA +MJ032562 14-Serrulatene-3,8,20-triol C20H30O3 318.219494 NA MeJP NA NA +MJ032563 14-Serrulatene-8,19,20-triol C20H30O3 318.219494 NA MeJP NA NA +MJ032564 15,16-Dihydroxy-1-kauren-3-one C20H30O3 318.219494 NA MeJP NA NA +MJ032565 15,16-Epoxy-13(16),14-clerodadien-18-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032566 15,16-Epoxy-13(16),14-labdadiene-6,9-diol, 6-Ketone C20H30O3 318.219494 NA MeJP NA NA +MJ032567 15,16-Epoxy-13(16),14-labdadiene-8,12-diol, 12-Ketone C20H30O3 318.219494 NA MeJP NA NA +MJ032568 15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form C20H30O3 318.219494 NA MeJP NA NA +MJ032569 15,16-Epoxy-3,13(16),14-clerodatriene-6,7-diol C20H30O3 318.219494 NA MeJP NA NA +MJ032570 15,16-Epoxy-3,13(16),14-clerodatriene-7,18-diol C20H30O3 318.219494 NA MeJP NA NA +MJ032571 15,16-Epoxy-4(18),13(16),14-clerodatriene-2,3-diol C20H30O3 318.219494 NA MeJP NA NA +MJ032572 15,16-Epoxy-7,13(16),14-labdatriene-2,3-diol C20H30O3 318.219494 NA MeJP NA NA +MJ032573 15,16-Epoxy-8(17),13(16),14-labdatriene-3,6-diol C20H30O3 318.219494 NA MeJP NA NA +MJ032574 15,16-Epoxy-8(17),13(16),14-labdatriene-6,19-diol C20H30O3 318.219494 NA MeJP NA NA +MJ032575 15,16-Epoxy-9-hydroxy-13(16),14-labdadien-7-one C20H30O3 318.219494 NA MeJP NA NA +MJ032576 15,16-Spongianediol, Diketone C20H30O3 318.219494 NA MeJP NA NA +MJ032577 15,16:17,18-Diepoxy-13-spaten-5-ol C20H30O3 318.219494 NA MeJP NA NA +MJ032578 15,19-Dihydroxy-7-trachylobanone C20H30O3 318.219494 NA MeJP NA NA +MJ032579 15-Beyerene-12,19-diol, 19-Carboxylic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032580 15-Beyerene-2,3,12-triol, 12-Ketone C20H30O3 318.219494 NA MeJP NA NA +MJ032581 15-Beyerene-2,3,12-triol, 2-Ketone C20H30O3 318.219494 NA MeJP NA NA +MJ032582 15-Beyerene-3,19-diol, 19-Carboxylic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032583 15-Hydroxy-16-atisen-19-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032584 15-Hydroxy-16-kauren-19-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032585 15-Hydroxy-16-kauren-20-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032586 15-Hydroxy-19-trachylobanoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032587 15-Hydroxy-5,8,11,13,17-eicosapentaenoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032588 15-Hydroxy-7,13-abietadien-18-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032589 15-Hydroxy-8(17),11,13-labdatrien-19-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032590 15-Hydroxy-8(17),12-labdadien-16,15-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032591 15-Hydroxy-8(17),13-labdadien-16,15-olide; 15R-form C20H30O3 318.219494 NA MeJP NA NA +MJ032592 15-Kaurene-17,18-diol; ent-form, 17-Carboxylic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032593 15-Kaurene-17,19-diol, 19-Carboxylic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032594 15-Kaurene-17,19-diol; ent-form, 19-Carboxylic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032595 15-Kaurene-7,17,18-triol, 17-Aldehyde C20H30O3 318.219494 NA MeJP NA NA +MJ032596 15-Oxo-1(10),13-halimadien-18-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032597 16,17-Dihydroxy-1-kauren-3-one C20H30O3 318.219494 NA MeJP NA NA +MJ032598 16,19-Dihydroxy-20-kauranoic acid, 20?19-Lactone C20H30O3 318.219494 NA MeJP NA NA +MJ032599 16-Hydroxy-11-kauren-19-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032600 16-Hydroxy-19,20-kauranedial C20H30O3 318.219494 NA MeJP NA NA +MJ032601 16-Hydroxy-19,20-kauranolide C20H30O3 318.219494 NA MeJP NA NA +MJ032602 16-Hydroxy-3,13-clerodadien-15,16-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032603 16-Hydroxy-4(18),13-clerodadien-15,16-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032604 16-Hydroxy-5(10),13-halimadien-15,16-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032605 16-Hydroxy-6,8(17),13-labdatrien-15-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032606 16-Hydroxy-8(17),13-labdadien-15,16-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032607 16-Hydroxy-9(11)-kauren-19-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032608 16-Kauren-19-ol; ent-form, 19-Carboxylic acid, 16?,17-epoxide C20H30O3 318.219494 NA MeJP NA NA +MJ032609 16-Kauren-19-ol; ent-form, 19-Carboxylic acid, 16?,17-epoxide C20H30O3 318.219494 NA MeJP NA NA +MJ032610 16-Kaurene-2,18,19-triol, 2-Ketone C20H30O3 318.219494 NA MeJP NA NA +MJ032611 16-Kaurene-3,19-diol, 19-Carboxylic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032612 16-Kaurene-7,18-diol, 18-Carboxylic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032613 16-Oxo-17-spongianal C20H30O3 318.219494 NA MeJP NA NA +MJ032614 16-Oxo-19-beyeranoic acid; ent-form C20H30O3 318.219494 NA MeJP NA NA +MJ032615 16-Oxo-4(18),13-clerodadien-15-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032616 16-Oxo-5(10),13-halimadien-15-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032617 17,19-Kauranediol, 17-Carboxylic acid, 19-aldehyde C20H30O3 318.219494 NA MeJP NA NA +MJ032618 17-Hydroxy-13-labden-15,16-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032619 17-Hydroxy-3,4-seco-4(18),15-beyeradien-3-oic acid; ent-form C20H30O3 318.219494 NA MeJP NA NA +MJ032620 18-Hydroxy-15-kauranone, 18-Carboxylic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032621 18-Hydroxy-19-trachylobanoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032622 18-Hydroxy-3,13-clerodadien-16,15-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032623 18-Hydroxy-7,16-sacculatadiene-11,12-dial C20H30O3 318.219494 NA MeJP NA NA +MJ032624 18-Hydroxy-8(17),13-labdadien-15,16-olide; ent-form C20H30O3 318.219494 NA MeJP NA NA +MJ032625 18-Hydroxy-8,10,13(15)-lobatrien-14,17-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032626 19-Hydroxy-3,13-clerodadien-16,15-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032627 19-Hydroxy-8(17),13-labdadien-15,16-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032628 19-Hydroxy-8(17),13-labdadien-16,15-olide; ent-form C20H30O3 318.219494 NA MeJP NA NA +MJ032629 19-Oxo-5,8,11,14-eicosatetraenoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032630 2(4),14-Decipiadiene-1,18,19-triol; 19-Deoxy, 1-carboxylic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032631 2,13-Dihydroxy-8,14-labdadien-7-one, 2-Ketone C20H30O3 318.219494 NA MeJP NA NA +MJ032632 2,16-Dihydroxy-8(17),13-labdadien-15-oic acid, 15?16-Lactone C20H30O3 318.219494 NA MeJP NA NA +MJ032633 2,16-Dihydroxy-8(17),13-labdadien-15-oic acid, 15?16 Lactone C20H30O3 318.219494 NA MeJP NA NA +MJ032634 2,16:11,12-Diepoxy-1(15),3,6-cembratrien-8-ol C20H30O3 318.219494 NA MeJP NA NA +MJ032635 2,16:11,12-Diepoxy-1(15),3,7-cembratriene, 3,4-Epoxide C20H30O3 318.219494 NA MeJP NA NA +MJ032636 2,17-Dihydroxy-15-beyeren-1-one C20H30O3 318.219494 NA MeJP NA NA +MJ032637 2,19-Dihydroxy-15-beyeren-1-one C20H30O3 318.219494 NA MeJP NA NA +MJ032638 2-(2-Formyl-3-hydroxymethyl-2-cyclopentenyl)-6,10-dimethyl-5,9-undecadienal C20H30O3 318.219494 NA MeJP NA NA +MJ032639 2-Hydroxy-3,13-clerodadien-15,16-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032640 2-Hydroxy-3,13-clerodadien-15-oic acid, 2-Ketone C20H30O3 318.219494 NA MeJP NA NA +MJ032641 2-Hydroxy-3,13-clerodadien-16,15-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032642 2-Hydroxy-5(10),15-rosadien-19-oic acid; 2?-form C20H30O3 318.219494 NA MeJP NA NA +MJ032643 2-Hydroxy-6-tridecylbenzoic acid; 8',9'-Didehydro (Z-) C20H30O3 318.219494 NA MeJP NA NA +MJ032644 2-Hydroxy-7,13-labdadien-15,16-olide; 2?-form C20H30O3 318.219494 NA MeJP NA NA +MJ032645 2-Hydroxy-8(17),12,14-labdatrien-18-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032646 2-Hydroxy-8(17),12,14-labdatrien-19-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032647 2-Hydroxy-8(17),13-labdadien-16,15-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032648 2-Oxo-1(10),13-halimadien-15-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032649 2-Oxo-1(10),7-halimadien-15-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032650 2-[(2,3,3a,4,5,7a-Hexahydro-3,6-dimethyl-2-benzofuranyl)ethylidene]-6-methyl-5-heptenoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032651 2-[(3,4,4a,5,6,8a-Hexahydro-4,7-dimethyl-2H-1-benzopyran-2-yl)methylene]-6-methyl-5-heptenoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032652 3,12-Clerodadiene-15,16-diol, 15-Carboxylic acid, 16-aldehyde C20H30O3 318.219494 NA MeJP NA NA +MJ032653 3,12-Cyathadiene-11,14,15-triol, 14-Ketone C20H30O3 318.219494 NA MeJP NA NA +MJ032654 3,12-Dihydroxy-8(14),15-pimaradien-2-one C20H30O3 318.219494 NA MeJP NA NA +MJ032655 3,13-Clerodadien-15,16-olid-19-oic acid, 19-Alcohol C20H30O3 318.219494 NA MeJP NA NA +MJ032656 3,13-Clerodadiene-15,16-diol C20H30O3 318.219494 NA MeJP NA NA +MJ032657 3,13-Clerodadiene-15,17-diol, 15-Aldehyde, 17-carboxylic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032658 3,13-Clerodadiene-15,18-diol, 18-Carboxylic acid, 15-aldehyde C20H30O3 318.219494 NA MeJP NA NA +MJ032659 3,13-Clerodadiene-15,18-diol, 15-Carboxylic acid, 18-aldehyde C20H30O3 318.219494 NA MeJP NA NA +MJ032660 3,13-Dihydroxy-16-atisen-14-one C20H30O3 318.219494 NA MeJP NA NA +MJ032661 3,15-Dihydroxy-7,13-labdadien-2-one, 15-Aldehyde C20H30O3 318.219494 NA MeJP NA NA +MJ032662 3,16-Dihydroxy-10(20)-leucothen-5-one C20H30O3 318.219494 NA MeJP NA NA +MJ032663 3,16-Dihydroxy-13-atisen-2-one C20H30O3 318.219494 NA MeJP NA NA +MJ032664 3,18-Dihydroxy-1(10),15-rosadien-2-one C20H30O3 318.219494 NA MeJP NA NA +MJ032665 3,18-Dihydroxy-15-beyeren-2-one C20H30O3 318.219494 NA MeJP NA NA +MJ032666 3,19-Dihydroxy-16-kauren-7-one C20H30O3 318.219494 NA MeJP NA NA +MJ032667 3,20-Epoxy-15-beyerene-3,18-diol C20H30O3 318.219494 NA MeJP NA NA +MJ032668 3,4-Dihydro-4-hydroxy-5-methyl-3-(9-phenylnonyl)-2(5H)-furanone C20H30O3 318.219494 NA MeJP NA NA +MJ032669 3,4-Dihydro-8-hydroxy-3-undecyl-1H-2-benzopyran-1-one C20H30O3 318.219494 NA MeJP NA NA +MJ032670 3,4-Epoxy-13-cleroden-15,16-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032671 3,4-Epoxy-7,11,15(17)-cembratrien-16-ol, 16-Carboxylic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032672 3,4;15,16-Diepoxy-13(16),14-clerodadien-2-ol C20H30O3 318.219494 NA MeJP NA NA +MJ032673 3,6-Dihydroxy-3,15-erythroxyladien-2-one C20H30O3 318.219494 NA MeJP NA NA +MJ032674 3,7-Epoxy-8-hydroxy-1(14),4-neodolabelladien-9-one C20H30O3 318.219494 NA MeJP NA NA +MJ032675 3-Hydroxy-1,6,10,14-phytatetraen-19,9-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032676 3-Hydroxy-18-trachylobanoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032677 3-Hydroxy-7,15-isopimaradien-18-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032678 3-Hydroxy-7,17-sacculatadien-12,11-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032679 3-Hydroxy-7,18-dolabelladien-17,4-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032680 4(18),13-Clerodadiene-3,15-diol, 3-Ketone, 15-carboxylic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032681 4,18-Dihydroxy-1(9),6,13-xenicatrien-19-al; 18-Aldehyde C20H30O3 318.219494 NA MeJP NA NA +MJ032682 4,9-Muuroladiene-1,8-diol; 8?-form, 8-Angeloyl C20H30O3 318.219494 NA MeJP NA NA +MJ032683 4-Hydroxy-7,11,15(17)-cembratrien-16,2-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032684 4-Hydroxy-7,11,15(17)-cembratrien-16,3-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032685 4-Hydroxycrenulide C20H30O3 318.219494 NA MeJP NA NA +MJ032686 5,11-Dihydroxy-8(14),15-rosadien-7-one C20H30O3 318.219494 NA MeJP NA NA +MJ032687 5,19-Epoxy-3,14-viscidadien-16-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032688 5,6-Epoxy-7,9,11,14-eicosatetraenoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032689 5,6-Vouacapanediol C20H30O3 318.219494 NA MeJP NA NA +MJ032690 5-Hydroxy-3,14-viscidadien-16-oic acid; 5-Ketone C20H30O3 318.219494 NA MeJP NA NA +MJ032691 5-Hydroxy-6,8,11,14,17-eicosapentaenoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032692 5-Hydroxy-6,8,11,14-eicosatetraenoic acid, 5-Oxo C20H30O3 318.219494 NA MeJP NA NA +MJ032693 6,10-Dihydroxy-15-rosen-19-oic acid, 19?10 Lactone C20H30O3 318.219494 NA MeJP NA NA +MJ032694 6,10-Dihydroxy-3,7,11,15-cembratetraen-5-one C20H30O3 318.219494 NA MeJP NA NA +MJ032695 6,7-Epoxy-4-cadinen-2-ol, Angeloyl C20H30O3 318.219494 NA MeJP NA NA +MJ032696 6,9-Dihydroxy-3,7,11-casbatrien-5-one C20H30O3 318.219494 NA MeJP NA NA +MJ032697 6-Hydroxy-3,13-clerodadien-15,16-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032698 6-Hydroxy-3,7,12-dolabellatrien-14-one, 3?,4?-Epoxide C20H30O3 318.219494 NA MeJP NA NA +MJ032699 6-Hydroxy-8(14),15-isopimaradien-18-oic acid; 6?-form C20H30O3 318.219494 NA MeJP NA NA +MJ032700 6-Oxo-12(18)-dolabellen-19,10-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032701 7,10-Dihydroxy-15-rosen-19-oic acid, 19?10 Lactone C20H30O3 318.219494 NA MeJP NA NA +MJ032702 7,10-Epoxy-8-hydroxy-1-fusicoccen-12-one C20H30O3 318.219494 NA MeJP NA NA +MJ032703 7,13-Labdadiene-3,15-diol, 15-Carboxylic acid, 3-ketone C20H30O3 318.219494 NA MeJP NA NA +MJ032704 7,14-Dihydroxy-16-kauren-15-one C20H30O3 318.219494 NA MeJP NA NA +MJ032705 7,17-Dihydroxy-13,15-cassadien-12-one C20H30O3 318.219494 NA MeJP NA NA +MJ032706 7,17-Sacculatadiene-11,12-dial; 9?H-form, 3?-Hydroxy C20H30O3 318.219494 NA MeJP NA NA +MJ032707 7,17-Sacculatadiene-11,12-dial; 9à H-form, 19-Hydroxy C20H30O3 318.219494 NA MeJP NA NA +MJ032708 7,18-Dihydroxy-8(14),15-isopimaradien-2-one C20H30O3 318.219494 NA MeJP NA NA +MJ032709 7,20-Dihydroxy-15-kauranone, 16,17-Didehydro C20H30O3 318.219494 NA MeJP NA NA +MJ032710 7,8-Epoxy-1-hydroxy-2,5,10,14-phytatetraen-13-one C20H30O3 318.219494 NA MeJP NA NA +MJ032711 7-Hydroxy-1,3,11-cembratrien-20,8-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032712 7-Hydroxy-13(15)-abieten-16,12-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032713 7-Hydroxy-13(17),15-cleistanthadien-19-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032714 7-Hydroxy-15-beyeren-19-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032715 7-Hydroxy-16-atisen-19-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032716 7-Hydroxy-16-kauren-19-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032717 7-Hydroxy-19-trachylobanoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032718 7-Hydroxy-2,6-cyclo-9,13-xenicadiene-18,19-dial C20H30O3 318.219494 NA MeJP NA NA +MJ032719 7-Hydroxy-3,11,15-cembratrien-20,8-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032720 7-Hydroxy-8(14),15-isopimaradien-18-oic acid; 7?-form C20H30O3 318.219494 NA MeJP NA NA +MJ032721 7-Hydroxy-8(14),15-pimaradien-19-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032722 7-Hydroxy-8(17),13-labdadien-16,15-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032723 7-Hydroxy-8,15-pimaradien-19-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032724 7-Isopimarene-3,15,16-triol, 3,15-Diketone C20H30O3 318.219494 NA MeJP NA NA +MJ032725 7-Oxo-3,13-clerodadien-15-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032726 8(14),15-Isopimaradiene-1,6,9-triol, 1-Ketone C20H30O3 318.219494 NA MeJP NA NA +MJ032727 8(14),15-Isopimaradiene-12,18-diol; 12?-form, 18-Carboxylic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032728 8(14),15-Isopimaradiene-2,18,19-triol; ent-form, 2-Ketone C20H30O3 318.219494 NA MeJP NA NA +MJ032729 8(14),15-Isopimaradiene-3,18-diol, 18-Carboxylic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032730 8(14)-Pimarene-3,15,16-triol, Diketone C20H30O3 318.219494 NA MeJP NA NA +MJ032731 8(17),12-Labdadiene-15,16-diol, 15,16-Dialdehyde, 8?,17-epoxide C20H30O3 318.219494 NA MeJP NA NA +MJ032732 8(17),12-Labdadiene-15,16-diol, 15-Carboxylic acid, 16-aldehyde C20H30O3 318.219494 NA MeJP NA NA +MJ032733 8(17),13-Labdadiene-15,18-diol, 18-Carboxylic acid, 15-aldehyde C20H30O3 318.219494 NA MeJP NA NA +MJ032734 8(17),13-Labdadiene-15,19-diol, 15-Carboxylic acid, 19-aldehyde C20H30O3 318.219494 NA MeJP NA NA +MJ032735 8(17),13-Labdadiene-15,19-diol, 19-Carboxylic acid, 15-aldehyde C20H30O3 318.219494 NA MeJP NA NA +MJ032736 8(17),13-Labdadiene-15,19-diol, 15-Aldehyde, 19-carboxylic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032737 8(17),13-Labdadiene-7,15-diol, 15-Carboxylic acid, 7-ketone C20H30O3 318.219494 NA MeJP NA NA +MJ032738 8,11,13-Abietatriene-11,12,20-triol C20H30O3 318.219494 NA MeJP NA NA +MJ032739 8,11,13-Abietatriene-2,11,12-triol; 2?-form C20H30O3 318.219494 NA MeJP NA NA +MJ032740 8,11,13-Abietatriene-3,14,19-triol C20H30O3 318.219494 NA MeJP NA NA +MJ032741 8,11,13-Abietatriene-5,11,12-triol; 5?-form C20H30O3 318.219494 NA MeJP NA NA +MJ032742 8,11,13-Icetexatriene-1,10,12-triol C20H30O3 318.219494 NA MeJP NA NA +MJ032743 8,11,13-Icetexatriene-10,12-diol; 10?-form, 11-Hydroxy C20H30O3 318.219494 NA MeJP NA NA +MJ032744 8,11,13-Icetexatriene-10,12-diol; 10?-form, 20?-Hydroxy C20H30O3 318.219494 NA MeJP NA NA +MJ032745 8,11-Epidioxy-3,4-epoxy-1(15),6,12-cembratriene C20H30O3 318.219494 NA MeJP NA NA +MJ032746 8,12-Epoxy-12-labdene-15,16-dial C20H30O3 318.219494 NA MeJP NA NA +MJ032747 8,12-Epoxy-13-labden-15,12-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032748 8,12-Epoxy-13-labdene-15,16-diol, 15,16-Dialdehyde C20H30O3 318.219494 NA MeJP NA NA +MJ032749 8,13-Epoxy-2-hydroxy-1,14-labdadien-3-one C20H30O3 318.219494 NA MeJP NA NA +MJ032750 8,13-Labdadiene-7,15-diol, 15-Carboxylic acid, 7-ketone C20H30O3 318.219494 NA MeJP NA NA +MJ032751 8,17-Epoxy-12-labden-16,15-olide C20H30O3 318.219494 NA MeJP NA NA +MJ032752 8,17-Sacculatadiene-11,13-dial; 15?-Hydroxy C20H30O3 318.219494 NA MeJP NA NA +MJ032753 8,20-Dihydroxy-9(11),13-abietadien-12-one C20H30O3 318.219494 NA MeJP NA NA +MJ032754 8-Hydroxy-5,9,11,14,17-eicosapentaenoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032755 8-Hydroxy-5,9,11,14-eicosatetraenoic acid, 8-Oxo C20H30O3 318.219494 NA MeJP NA NA +MJ032756 9,13-Epoxy-18-hydroxy-14-labden-7-one, 18-Aldehyde C20H30O3 318.219494 NA MeJP NA NA +MJ032757 9,13-Epoxy-5-hydroxy-7,14-labdadien-6-one C20H30O3 318.219494 NA MeJP NA NA +MJ032758 9,13:15,16-Diepoxy-14-labden-7-one C20H30O3 318.219494 NA MeJP NA NA +MJ032759 9-Hydroxy-16-kauren-19-oic acid; ent-form C20H30O3 318.219494 NA MeJP NA NA +MJ032760 9-Hydroxy-16-kauren-20-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032761 9-Hydroxy-2,14-dichotomadiene-19,20-diol C20H30O3 318.219494 NA MeJP NA NA +MJ032762 9-Hydroxy-2,5,7,11,14-eicosapentaenoic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032763 9-Hydroxy-5,7,11,14-eicosatetraenoic acid, 9-Oxo C20H30O3 318.219494 NA MeJP NA NA +MJ032764 9-Oxoprosta-5,10,14-trien-1-oic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032765 Acaciahemiacetal A; 17-Oxo C20H30O3 318.219494 NA MeJP NA NA +MJ032766 Agroskerin C20H30O3 318.219494 NA MeJP NA NA +MJ032767 Agrostistachin C20H30O3 318.219494 NA MeJP NA NA +MJ032768 Ambliofuran; 18,19-Dihydroxy C20H30O3 318.219494 NA MeJP NA NA +MJ032769 Antibiotic Sch 47918; 1,14-Dihydro C20H30O3 318.219494 NA MeJP NA NA +MJ032770 Aplykurodin A; 17,18-Didehydro, 4-ketone C20H30O3 318.219494 NA MeJP NA NA +MJ032771 Bershacolone C20H30O3 318.219494 NA MeJP NA NA +MJ032772 Chrysolic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032773 Cleomeolide C20H30O3 318.219494 NA MeJP NA NA +MJ032774 Dictyotalide A C20H30O3 318.219494 NA MeJP NA NA +MJ032775 Didemnilactone; (10E,12Z,14Z)-Isomer, 17,18-dihydro C20H30O3 318.219494 NA MeJP NA NA +MJ032776 Didemnilactone; (10E,12Z,14Z)-Isomer, 8-epimer, 17,18-dihydro C20H30O3 318.219494 NA MeJP NA NA +MJ032777 Didemnilactone; (10E,14Z)-Isomer, 17,18-dihydro C20H30O3 318.219494 NA MeJP NA NA +MJ032778 Didemnilactone; 17,18-Dihydro C20H30O3 318.219494 NA MeJP NA NA +MJ032779 Focardin; 14,15-Epoxide C20H30O3 318.219494 NA MeJP NA NA +MJ032780 Formosanone C20H30O3 318.219494 NA MeJP NA NA +MJ032781 Fusicorrugatol C20H30O3 318.219494 NA MeJP NA NA +MJ032782 Galanal A C20H30O3 318.219494 NA MeJP NA NA +MJ032783 Ichthyouleolide C20H30O3 318.219494 NA MeJP NA NA +MJ032784 Isoreiswigin C20H30O3 318.219494 NA MeJP NA NA +MJ032785 Mulinenic acid C20H30O3 318.219494 NA MeJP NA NA +MJ032786 Naviculide C20H30O3 318.219494 NA MeJP NA NA +MJ032787 Oxymesterone C20H30O3 318.219494 NA MeJP NA NA +MJ032788 Phomactin E C20H30O3 318.219494 NA MeJP NA NA +MJ032789 Phomactin G C20H30O3 318.219494 NA MeJP NA NA +MJ032790 Roseatoxide C20H30O3 318.219494 NA MeJP NA NA +MJ032791 Sarcopetalololide C20H30O3 318.219494 NA MeJP NA NA +MJ032792 Secochiliotrin C20H30O3 318.219494 NA MeJP NA NA +MJ032793 Shikoccin; 3-Deacetoxy, 16?,17-dihydro C20H30O3 318.219494 NA MeJP NA NA +MJ032794 Solidagonal acid C20H30O3 318.219494 NA MeJP NA NA +MJ032795 Yuexiandajisu A C20H30O3 318.219494 NA MeJP NA NA +EUR148 4,5-leukotriene A4 C20H30O3 318.219495 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR149 LeukotrieneA4(LTA4) C20H30O3 318.219495 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR148 4,5-leukotriene A4 C20H30O3 318.219495 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR149 LeukotrieneA4(LTA4) C20H30O3 318.219495 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR148 4,5-leukotriene A4 C20H30O3 318.219495 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR149 LeukotrieneA4(LTA4) C20H30O3 318.219495 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR148 4,5-leukotriene A4 C20H30O3 318.219495 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR149 LeukotrieneA4(LTA4) C20H30O3 318.219495 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR148 4,5-leukotriene A4 C20H30O3 318.219495 Wishlist HMDB NA NA +EUR149 LeukotrieneA4(LTA4) C20H30O3 318.219495 Wishlist HMDB NA NA +EUR148 4,5-leukotriene A4 C20H30O3 318.219495 Wishlist Inhouse_PFEM NA NA +EUR149 LeukotrieneA4(LTA4) C20H30O3 318.219495 Wishlist Inhouse_PFEM NA NA +MetaCyc02821 leukotriene-A4 [LTA4;(7E, 9E, 11Z, 14Z)-(5S, 6S)-5, 6-Epoxyeicosa-7, 9,11, 14-tetraenoate;(7E, 9E, 11Z, 14Z)-(5S, 6S)-5, 6-Epoxyicosa-7, 9,11, 14-tetraenoate;] C20H30O3 318.219495 72059-45-1 metacyc NA NA +MetaCyc02822 15-oxo-5,8,11-cis-13-trans-icosatetraenoate [] C20H30O3 318.219495 NA metacyc NA NA +MetaCyc02823 ent-7-α-hydroxykaurenoate [ent-7α-hydroxykaur-16-en-19-oate;ent-7-α-hydroxykaurenoic acid;7-hydroxy-kaurenoic acid;] C20H30O3 318.219495 NA metacyc NA NA +EUR148 4,5-leukotriene A4 C20H30O3 318.219495 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR149 LeukotrieneA4(LTA4) C20H30O3 318.219495 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR148 4,5-leukotriene A4 C20H30O3 318.219495 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR149 LeukotrieneA4(LTA4) C20H30O3 318.219495 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR148 4,5-leukotriene A4 C20H30O3 318.2195 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR149 LeukotrieneA4(LTA4) C20H30O3 318.2195 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR148 4,5-leukotriene A4 C20H30O3 318.2195 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR149 LeukotrieneA4(LTA4) C20H30O3 318.2195 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR148 4,5-leukotriene A4 C20H30O3 318.2195 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR149 LeukotrieneA4(LTA4) C20H30O3 318.2195 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR148 4,5-leukotriene A4 C20H30O3 318.2195 Wishlist Inhousejuil11 NA NA +EUR149 LeukotrieneA4(LTA4) C20H30O3 318.2195 Wishlist Inhousejuil11 NA NA +C00909 Leukotriene A4 C20H30O3 318.2195 NA KEGG NA NA +C00910 Procollagenase C20H30O3 318.2195 NA KEGG NA NA +C00911 Ribonucleoside C5H9O4R 318.2195 NA KEGG NA NA +C00912 alpha-D-Glucan C5H9O4R 318.2195 NA KEGG NA NA +C02645 4,5-Leukotriene A4 C20H30O3 318.2195 NA KEGG NA NA +C04577 15-OxoETE C20H30O3 318.2195 NA KEGG NA NA +C09079 Cyathin A3 C20H30O3 318.2195 NA KEGG NA NA +C09110 Ineketone C20H30O3 318.2195 NA KEGG NA NA +C11875 ent-7alpha-Hydroxykaur-16-en-19-oic acid C20H30O3 318.2195 NA KEGG NA NA +C13843 17R,18S-Epoxy-5Z,8Z,11Z,14Z-icosatetraenoic acid C20H30O3 318.2195 NA KEGG NA NA +C14555 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one C20H30O3 318.2195 NA KEGG NA NA +C14628 4,5alpha-Dihydro-2-(hydroxymethylene)testosterone C20H30O3 318.2195 NA KEGG NA NA +C14665 Oranabol C20H30O3 318.2195 NA KEGG NA NA +C14683 11beta,17beta-Dihydroxy-17-methylandrost-4-en-3-one C20H30O3 318.2195 NA KEGG NA NA +C14732 5-OxoETE C20H30O3 318.2195 NA KEGG NA NA +C14807 12-OxoETE C20H30O3 318.2195 NA KEGG NA NA +C14891 7alpha,17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one C20H30O3 318.2195 NA KEGG NA NA +C14929 17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one C20H30O3 318.2195 NA KEGG NA NA +C14945 3-Methoxy-16-methyl-estra-2,5(10)-diene-16beta,17beta-diol C20H30O3 318.2195 NA KEGG NA NA +C14980 16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-3,17-dione C20H30O3 318.2195 NA KEGG NA NA +C15354 17beta-Hydroxy-17-methyl-5alpha-androstane-3,11-dione C20H30O3 318.2195 NA KEGG NA NA +C15434 11beta,17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one C20H30O3 318.2195 NA KEGG NA NA +C17498 Galanolactone C20H30O3 318.2195 NA KEGG NA NA +C18177 18R-HEPE C20H30O3 318.2195 NA KEGG NA NA +EUR485 Prostaglandine A1 F2 F2 318.221525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR485 Prostaglandine A1 F2 NA 318.221525 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR485 Prostaglandine A1 F2 F2 318.221525 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR485 Prostaglandine A1 F2 NA 318.221525 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR485 Prostaglandine A1 F2 F2 318.221525 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR485 Prostaglandine A1 F2 NA 318.221525 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR485 Prostaglandine A1 F2 F2 318.221525 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR485 Prostaglandine A1 F2 F2 318.221525 standards wishlist analysés sur QTOF HMDB NA NA +EUR485 Prostaglandine A1 F2 F2 318.221525 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR485 Prostaglandine A1 F2 NA 318.221525 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR485 Prostaglandine A1 F2 F2 318.221525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR485 Prostaglandine A1 F2 F2 318.221525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR513 12-HPETE F2 F2 318.222625 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR513 12-HPETE F2 NA 318.222625 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR513 12-HPETE F2 F2 318.222625 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR513 12-HPETE F2 NA 318.222625 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR513 12-HPETE F2 F2 318.222625 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR513 12-HPETE F2 NA 318.222625 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR513 12-HPETE F2 F2 318.222625 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR513 12-HPETE F2 F2 318.222625 standards wishlist analysés sur QTOF HMDB NA NA +EUR513 12-HPETE F2 F2 318.222625 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR513 12-HPETE F2 NA 318.222625 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR513 12-HPETE F2 F2 318.222625 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR513 12-HPETE F2 F2 318.222625 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C17985 Istamycin Y0 C14H30N4O4 318.2267 NA KEGG NA NA +C17986 Istamycin X0 C14H30N4O4 318.2267 NA KEGG NA NA +MJ032796 Antibiotic KA 6606IX C14H30N4O4 318.226705 NA MeJP NA NA +MJ032797 Antibiotic KA 6606XIV C14H30N4O4 318.226705 NA MeJP NA NA +MJ032798 Antibiotic KA 6606XIX C14H30N4O4 318.226705 NA MeJP NA NA +MJ032799 Antibiotic KA 6606XVIII C14H30N4O4 318.226705 NA MeJP NA NA +MJ032800 Gentamine C2; N6'-Me C14H30N4O4 318.226705 NA MeJP NA NA +MJ032801 Istamycin X0 C14H30N4O4 318.226705 NA MeJP NA NA +MJ032802 Sannamycin C; 6'-N-De-Me C14H30N4O4 318.226705 NA MeJP NA NA +MJ032803 Sporaricin B; O-De-Me C14H30N4O4 318.226705 NA MeJP NA NA +MJ032804 3-(14-Nitro-3-tetradecenyl)pyridine C19H30N2O2 318.230728 NA MeJP NA NA +MJ032805 Benrixate C19H30N2O2 318.230728 NA MeJP NA NA +MJ032806 Bietamiverine C19H30N2O2 318.230728 NA MeJP NA NA +MJ032807 Camiverine C19H30N2O2 318.230728 NA MeJP NA NA +MJ032808 Ebalzotan C19H30N2O2 318.230728 NA MeJP NA NA +MJ032809 3alpha-Hydroxy-5beta-pregnane-20-one C21H34O2 318.25588 NA MeJP NA NA +MJ032810 1,6,9,12,15,18-Heneicosahexaene, 12S,13R:15S,16R-Diepoxide, 18,19-dihydro C21H34O2 318.25588 NA MeJP NA NA +MJ032811 1,6,9,12,15,18-Heneicosahexaene, 9,10:15,16-Diepoxide, 18,19-dihydro C21H34O2 318.25588 NA MeJP NA NA +MJ032812 1-Hydroxy-2,5,12,15-heneicosatetraen-4-one C21H34O2 318.25588 NA MeJP NA NA +MJ032813 1-Hydroxy-2,5,12-heneicosatrien-4-one, Aldehyde C21H34O2 318.25588 NA MeJP NA NA +MJ032814 1-Hydroxy-2,5,14-heneicosatrien-4-one, Aldehyde C21H34O2 318.25588 NA MeJP NA NA +MJ032815 1-Hydroxy-2,5,16-heneicosatrien-4-one, Aldehyde C21H34O2 318.25588 NA MeJP NA NA +MJ032816 17-(2-Furanyl)-3,7,9-heptadecatrien-6-ol, 3,4-Dihydro C21H34O2 318.25588 NA MeJP NA NA +MJ032817 18,19-Epoxy-1(9),6,13-xenicatrien-18-ol; 18?-form, Me ether C21H34O2 318.25588 NA MeJP NA NA +MJ032818 19-Hydroxy-17-methyl-17-kauranone C21H34O2 318.25588 NA MeJP NA NA +MJ032819 2,7,11-Cembratriene-4,10-diol, 10-Ketone, 4-Me ether C21H34O2 318.25588 NA MeJP NA NA +MJ032820 3,13-Clerodadien-15-ol, 15-Carboxylic acid, Me ester C21H34O2 318.25588 NA MeJP NA NA +MJ032821 3,6-Epidioxy-14-methylene-1,10-prenylbisaboladiene C21H34O2 318.25588 NA MeJP NA NA +MJ032822 3-Hexadecyl-5-methylene-2(5H)-furanone; 8',9'-Didehydro(Z-) C21H34O2 318.25588 NA MeJP NA NA +MJ032823 3-Hydroxypregnan-16-one C21H34O2 318.25588 NA MeJP NA NA +MJ032824 3-Hydroxypregnan-20-one C21H34O2 318.25588 NA MeJP NA NA +MJ032825 3-Pentadecyl-1,2-benzenediol; 10',11'-Didehydro C21H34O2 318.25588 NA MeJP NA NA +MJ032826 3-Pentadecyl-1,2-benzenediol; 8',9'-Didehydro(Z-) C21H34O2 318.25588 NA MeJP NA NA +MJ032827 4-Methoxy-4-methyl-2-(3,6,9-tetradecatrienyl)cyclopentanone C21H34O2 318.25588 NA MeJP NA NA +MJ032828 5,20-Epoxy-15-rosen-20-ol, Me ether C21H34O2 318.25588 NA MeJP NA NA +MJ032829 5-(8-Tridecenyl)-1,3-benzenediol, Di-Me ether C21H34O2 318.25588 NA MeJP NA NA +MJ032830 5-Pentadecyl-1,3-benzenediol; 4',5'Z-Didehydrro C21H34O2 318.25588 NA MeJP NA NA +MJ032831 5-Pentadecyl-1,3-benzenediol; 6',7'-Didehydro C21H34O2 318.25588 NA MeJP NA NA +MJ032832 5-Pentadecyl-1,3-benzenediol; 8',9'Z-Didehydro C21H34O2 318.25588 NA MeJP NA NA +MJ032833 6-Hydroxy-2,14,16,18-heneicosatetraen-4-one C21H34O2 318.25588 NA MeJP NA NA +MJ032834 8-Abieten-18-oic acid; 13?-form, Me ester C21H34O2 318.25588 NA MeJP NA NA +MJ032835 Asperketal A; Me ether C21H34O2 318.25588 NA MeJP NA NA +MJ032836 Cadlinaldehyde C21H34O2 318.25588 NA MeJP NA NA +MetaCyc02824 3-β-hydroxy-5-β-pregnane-20-one [] C21H34O2 318.25588 NA metacyc NA NA +MetaCyc02825 3-β-hydroxy-5-α-pregnane-20-one [] C21H34O2 318.25588 NA metacyc NA NA +HMDB01449 Allopregnanolone C21H34O2 318.25589 http://www.hmdb.ca/metabolites/HMDB01449 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01455 Alloepipregnanolone C21H34O2 318.25589 http://www.hmdb.ca/metabolites/HMDB01455 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01471 Epipregnanolone C21H34O2 318.25589 http://www.hmdb.ca/metabolites/HMDB01471 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01449 Allopregnanolone C21H34O2 318.25589 http://www.hmdb.ca/metabolites/HMDB01449 HMDB NA NA +HMDB01455 Alloepipregnanolone C21H34O2 318.25589 http://www.hmdb.ca/metabolites/HMDB01455 HMDB NA NA +HMDB01471 Epipregnanolone C21H34O2 318.25589 http://www.hmdb.ca/metabolites/HMDB01471 HMDB NA NA +HMDB06759 3alpha-Hydroxy-5beta-pregnane-20-one C21H34O2 318.25589 http://www.hmdb.ca/metabolites/HMDB06759 HMDB NA NA +HMDB01449 Allopregnanolone C21H34O2 318.25589 http://www.hmdb.ca/metabolites/HMDB01449 PFEM_hmdb_metabocards_blood NA blood +HMDB01455 Alloepipregnanolone C21H34O2 318.25589 http://www.hmdb.ca/metabolites/HMDB01455 PFEM_hmdb_metabocards_blood NA blood +HMDB01471 Epipregnanolone C21H34O2 318.25589 http://www.hmdb.ca/metabolites/HMDB01471 PFEM_hmdb_metabocards_blood NA blood +HMDB01449 Allopregnanolone C21H34O2 318.25589 HMDB01449 PFEM_hmdb_metabocards_official NA NA +HMDB01455 Alloepipregnanolone C21H34O2 318.25589 HMDB01455 PFEM_hmdb_metabocards_official NA NA +HMDB01471 Epipregnanolone C21H34O2 318.25589 HMDB01471 PFEM_hmdb_metabocards_official NA NA +HMDB06759 3alpha-Hydroxy-5beta-pregnane-20-one C21H34O2 318.25589 HMDB06759 PFEM_hmdb_metabocards_official NA NA +HMDB01449 Allopregnanolone C21H34O2 318.25589 NA HMDB2010 NA NA +HMDB01455 Alloepipregnanolone C21H34O2 318.25589 NA HMDB2010 NA NA +HMDB01471 Epipregnanolone C21H34O2 318.25589 NA HMDB2010 NA NA +HMDB06012 Epimetendiol C21H34O2 318.25589 NA HMDB2010 NA NA +HMDB06759 3a-Hydroxy-5b-pregnane-20-one C21H34O2 318.25589 NA HMDB2010 NA NA +C05480 3alpha-Hydroxy-5beta-pregnane-20-one C21H34O2 318.2559 NA KEGG NA NA +C10770 Bilobol C21H34O2 318.2559 NA KEGG NA NA +C11825 3beta-Hydroxy-5beta-pregnane-20-one C21H34O2 318.2559 NA KEGG NA NA +C11826 [GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-g-D-Glu-L-Lys-D-Ala-D-Ala)]n- C94H156N8O26P2 318.2559 NA KEGG NA NA +C11827 [GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-g-D-Glu-A2pm-D-Ala-D-Ala)]n- C95H156N8O28P2 318.2559 NA KEGG NA NA +C11828 Sugar 1-phosphate C95H156N8O28P2 318.2559 NA KEGG NA NA +C13712 3alpha-Hydroxy-5alpha-pregnan-20-one C21H34O2 318.2559 NA KEGG NA NA +C15099 17beta-Hydroxy-2alpha,17-dimethyl-5alpha-androstan-3-one C21H34O2 318.2559 NA KEGG NA NA +C15264 17beta-Hydroxy-5alpha-androstane acetate C21H34O2 318.2559 NA KEGG NA NA +C15484 3beta-Hydroxy-5alpha-pregnane-20-one C21H34O2 318.2559 NA KEGG NA NA +C18041 5alpha-Pregnan-20alpha-ol-3-one C21H34O2 318.2559 NA KEGG NA NA +MJ032837 Niphatesine G C20H34N2O 318.267113 NA MeJP NA NA +MJ032838 Pseudodistomin F C20H34N2O 318.267113 NA MeJP NA NA +MJ032839 1,2,3,4-Octadecanetetrol C18H38O4 318.277009 NA MeJP NA NA +C07861 Tridihexethyl C21H36NO 318.2797 NA KEGG NA NA +MJ032840 4,15-Docosadien-1-yn-3-ol C22H38O 318.292265 NA MeJP NA NA +MJ032841 Clathculine A C21H38N2 318.303499 NA MeJP NA NA +MJ032842 Pirtenidine C21H38N2 318.303499 NA MeJP NA NA +MJ032843 Pregnane-3,20-diamine C21H38N2 318.303499 NA MeJP NA NA +MJ032844 1,7,13-Tricosatriene C23H42 318.328651 NA MeJP NA NA +MJ032845 14-Methyl-3-docosen-1-yne C23H42 318.328651 NA MeJP NA NA +MJ032846 18,19-Dinorcheilanthane C23H42 318.328651 NA MeJP NA NA +7814 ACE inhibitor from chickpea legumin MDFLI 318.65165 MH2+ Inhouse_peptide NA peptide +2643 synthetic fr,of human beta-CN, ACE inhibitor PVRAVP 318.689 MH2+ Inhouse_peptide NA peptide +MJ032847 4,6-Dibromo-2-methylthio-1H-indole C9H7Br2NS 318.866595 NA MeJP NA NA +MJ032848 Aplysinimine C9H7Br2NO2 318.884353 NA MeJP NA NA +MJ032849 Convolutamydines; Convolutamydine C C9H7Br2NO2 318.884353 NA MeJP NA NA +MJ032850 Lanoconazole C14H10ClN3S2 319.000466 NA MeJP NA NA +C01285 2,6-Dichlorophenol-4-(1,4-naphthoquinone imine) C16H11Cl2NO2 319.0167 NA KEGG NA NA +MJ032851 Epalrestat C15H13NO3S2 319.033684 NA MeJP NA NA +MJ032852 Cetofenicol C13H15Cl2NO4 319.037813 NA MeJP NA NA +MJ032853 Cassamedine; Demethoxy C18H9NO5 319.048072 NA MeJP NA NA +MJ032854 Hernandonine C18H9NO5 319.048072 NA MeJP NA NA +CJpos0748 3-indole carboxylic acid glucuronide [(M+H)-(H2O)]+ C15H14NO7 319.068675 C18rt(min)=6.2 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0748 3-indole carboxylic acid glucuronide [(M+H)-(H2O)]+ C15H14NO7 319.068675 C18rt(min)=6.2 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ032855 Sarmazenil C15H14ClN3O3 319.072369 NA MeJP NA NA +MJ032856 Decarine C19H13NO4 319.084457 NA MeJP NA NA +MJ032857 Isodecarine C19H13NO4 319.084457 NA MeJP NA NA +MJ032858 Zanthoxyline C19H13NO4 319.084457 NA MeJP NA NA +MJ032859 9,10-Demethylenesanguinarine C19H14NO4(+) 319.084457 NA MeJP NA NA +MJ032860 Coptisine C19H14NO4(+) 319.084457 NA MeJP NA NA +MJ032861 Pseudocoptisine C19H14NO4(+) 319.084457 NA MeJP NA NA +MJ032862 Thailandine C19H14NO4(+) 319.084457 NA MeJP NA NA +MJ032863 Thalidastine, 5-Deoxy, 5,6-didehydro C19H14NO4(+) 319.084457 NA MeJP NA NA +C00220 Methylene blue C16H18N3S 319.091 NA KEGG NA NA +C13751 Benzamil C13H14ClN7O 319.0948 NA KEGG NA NA +MJ032864 Ibandronic acid C9H23NO7P2 319.094975 NA MeJP NA NA +MJ032865 Rutaecarpine; 7?,8?-Dihydroxy C18H13N3O3 319.095691 NA MeJP NA NA +MJ032866 5,6-Dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a]thieno[2,3-f][1,4]diazepine-3-carboxylic acid; tert-Butyl ester C15H17N3O3S 319.099062 NA MeJP NA NA +C13716 Ro 19-4603 C15H17N3O3S 319.0991 NA KEGG NA NA +MJ032867 Tetrodotoxin C11H17N3O8 319.101564 NA MeJP NA NA +C11692 Tetrodotoxin C11H17N3O8 319.1016 NA KEGG NA NA +C11693 Transferred to D01069 C11H17N3O8 319.1016 NA KEGG NA NA +PJ000286 GDE C11H17N3O8 319.1016 NA PeJP NA NA +MJ032868 Renierol; 1,2-Dihydro, O-propanoyl, N-formyl C16H17NO6 319.105587 NA MeJP NA NA +MJ032869 Sarcomejine C16H17NO6 319.105587 NA MeJP NA NA +PJ000287 DW C15H17N3O5 319.1168 NA PeJP NA NA +PJ000288 PTC C12H21N3O5S 319.1202 NA PeJP NA NA +MJ032870 Goshuyuamide II C19H17N3O2 319.132076 NA MeJP NA NA +MJ032871 Rhetsinine C19H17N3O2 319.132076 NA MeJP NA NA +C06687 Norfloxacin C16H18FN3O3 319.1332 NA KEGG NA NA +MJ032872 Norfloxacin C16H18FN3O3 319.133219 NA MeJP NA NA +PJ000289 ATE C12H21N3O7 319.138 NA PeJP NA NA +MJ032873 Kikumycin A; 4R-Hydroxy C13H17N7O3 319.139287 NA MeJP NA NA +MJ032874 7,8-Dimethoxyplatydesmine; (S)-(?)-config.-form C17H21NO5 319.141972 NA MeJP NA NA +MJ032875 Anisodine C17H21NO5 319.141972 NA MeJP NA NA +MJ032876 Bowdensine; 1-Epimer, di-de-Ac C17H21NO5 319.141972 NA MeJP NA NA +MJ032877 Bowdensine; Di-de-Ac C17H21NO5 319.141972 NA MeJP NA NA +MJ032878 Clivisyaline C17H21NO5 319.141972 NA MeJP NA NA +MJ032879 Convolvineyl C17H21NO5 319.141972 NA MeJP NA NA +MJ032880 Geibalansine, 8,9-Dimethoxy C17H21NO5 319.141972 NA MeJP NA NA +MJ032881 Haemanthidine, 1,2-Dihydro C17H21NO5 319.141972 NA MeJP NA NA +MJ032882 Hippacine C17H21NO5 319.141972 NA MeJP NA NA +MJ032883 Lunidonine; 2'?-Alcohol C17H21NO5 319.141972 NA MeJP NA NA +MJ032884 Narcissidine; O2-De-Me C17H21NO5 319.141972 NA MeJP NA NA +MJ032885 Nerbowdine C17H21NO5 319.141972 NA MeJP NA NA +MJ032886 Nerifline C17H21NO5 319.141972 NA MeJP NA NA +MJ032887 Peyoglunal C17H21NO5 319.141972 NA MeJP NA NA +MJ032888 Piplartine; 8,9-Dihydro C17H21NO5 319.141972 NA MeJP NA NA +MJ032889 Proquinolate C17H21NO5 319.141972 NA MeJP NA NA +MJ032890 Scopolamine, N-Oxide C17H21NO5 319.141972 NA MeJP NA NA +MJ032891 Zascanol epoxide C17H21NO5 319.141972 NA MeJP NA NA +C12169 1-Epideacetylbowdensine C17H21NO5 319.142 NA KEGG NA NA +7902 peptide from bovine b-lactoglobulin WYSLA 319.1475 MH2+ Inhouse_peptide NA peptide +PJ000290 GPF C16H21N3O4 319.1532 NA PeJP NA NA +PJ000291 GLM C13H25N3O4S 319.1566 NA PeJP NA NA +MJ032892 Oxetorone C21H21NO2 319.157228 NA MeJP NA NA +2750 ion flow regulating peptide TSLYR 319.1635 MH2+ Inhouse_peptide NA peptide +MJ032893 Cilansetron C20H21N3O 319.168462 NA MeJP NA NA +MJ032894 Decussine, 3,14-Dihydro, 10-hydroxy C20H21N3O 319.168462 NA MeJP NA NA +C11560 1-Carbazol-9-yl-3-(3,5-dimethylpyrazol-1-yl)-propan-2-ol C20H21N3O 319.1685 NA KEGG NA NA +PJ000292 STL C13H25N3O6 319.1743 NA PeJP NA NA +MJ032895 17-Hydroxy-10-nitroestr-4-en-3-one; 17?-form C18H25NO4 319.178358 NA MeJP NA NA +MJ032896 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7,O9-Diangeloyl C18H25NO4 319.178358 NA MeJP NA NA +MJ032897 Coronatine C18H25NO4 319.178358 NA MeJP NA NA +MJ032898 Hippeastidine C18H25NO4 319.178358 NA MeJP NA NA +MJ032899 Lycopodium Base XII C18H25NO4 319.178358 NA MeJP NA NA +MJ032900 Neostemonine C18H25NO4 319.178358 NA MeJP NA NA +MetaCyc02826 coronatine [cyclopropanecarboxylic acid;] C18H25N1O4 319.178358 NA metacyc NA NA +C16790 Coronatine C18H25NO4 319.1784 NA KEGG NA NA +C07625 Chloroquine C18H26ClN3 319.1815 NA KEGG NA NA +MJ032901 Chloroquine C18H26ClN3 319.181525 NA MeJP NA NA +MJ032902 2-[(2-Methyl-1-oxopropyl)amino]-N-(2-phenylethyl)pentanediamide C17H25N3O3 319.189591 NA MeJP NA NA +MJ032903 Midaxifylline C16H25N5O2 319.200825 NA MeJP NA NA +MJ032904 Histaprodifen; N-Me C21H25N3 319.204847 NA MeJP NA NA +MJ032905 3,4-Dihydroxybenzylamine; 3-Me ether, N-(9-methyl-7E-decenoyl) C19H29NO3 319.214743 NA MeJP NA NA +MJ032906 4-Amino-3-hydroxybenzoic acid; 5-Dodecenyl ester C19H29NO3 319.214743 NA MeJP NA NA +MJ032907 Antidesmone C19H29NO3 319.214743 NA MeJP NA NA +MJ032908 Cyclodrine C19H29NO3 319.214743 NA MeJP NA NA +MJ032909 Hyeronine A C19H29NO3 319.214743 NA MeJP NA NA +MJ032910 Nafetolol C19H29NO3 319.214743 NA MeJP NA NA +MJ032911 Protoemetinol; Natural-form C19H29NO3 319.214743 NA MeJP NA NA +MJ032912 Dalcotidine C18H29N3O2 319.225977 NA MeJP NA NA +MJ032913 Igmesine C23H29N 319.229999 NA MeJP NA NA +MJ032914 Antibiotic JM 971C C20H33NO2 319.251129 NA MeJP NA NA +MJ032915 Homopumiliotoxin 321B; 7'-Ketone C20H33NO2 319.251129 NA MeJP NA NA +MJ032916 Homopumiliotoxin 321B; ?5',6'-Isomer, 7'-ketone C20H33NO2 319.251129 NA MeJP NA NA +MJ032917 Pictamine C20H33NO2 319.251129 NA MeJP NA NA +MJ032918 3-[[2-[Bis(1-methylethyl)amino]ethyl]amino]-N-(2,6-dimethylphenyl)propanamide C19H33N3O 319.262362 NA MeJP NA NA +MJ032919 Pentisomide C19H33N3O 319.262362 NA MeJP NA NA +MJ032920 20-Aminopregnan-3-ol C21H37NO 319.287514 NA MeJP NA NA +MJ032921 3-Aminopregnan-20-ol C21H37NO 319.287514 NA MeJP NA NA +MJ032922 5-Alkyl-1H-pyrrole-2-carboxaldehydes; 5-Hexadecyl-1H-pyrrole-2-carboxaldehyde C21H37NO 319.287514 NA MeJP NA NA +C07557 2,3,7,8-Tetrachlorodibenzodioxin C12H4Cl4O2 319.8965 NA KEGG NA NA +C11058 1,2,3,4-Tetrachlorodibenzodioxin C12H4Cl4O2 319.8965 NA KEGG NA NA +C11059 1,3,6,8-Tetrachlorodibenzo-p-dioxin C12H4Cl4O2 319.8965 NA KEGG NA NA +MJ032923 Fenchlorphos C8H8Cl3O3PS 319.899734 NA MeJP NA NA +MJ032924 6-Bromo-1,7-dichloro-3-chloromethyl-7-methyl-2-octene C10H16BrCl3 319.950096 NA MeJP NA NA +C11323 Chromotropic acid C10H8O8S2 319.9661 NA KEGG NA NA +MJ032925 Chloro(tetrahydrothiophene)gold(I) C4H8AuClS 319.970075 NA MeJP NA NA +MJ032926 Benzolamide C8H8N4O4S3 319.970766 NA MeJP NA NA +MJ032927 2,2':5',2''-Terthiophene-5-methanol; Ac C15H12O2S3 319.999941 NA MeJP NA NA +MJ032928 N-(2-Chloro-4-isothiocyanatophenyl)-2,4-dihydroxybenzamide C14H9ClN2O3S 320.00224 NA MeJP NA NA +MJ032929 Tenidap C14H9ClN2O3S 320.00224 NA MeJP NA NA +MJ032930 1-Chloro-2,4,5-trihydroxy-7-hydroxymethylanthraquinone C15H9ClO6 320.008765 NA MeJP NA NA +MJ032931 2-Chloro-1,3,5,8-tetrahydroxy-6-methylanthraquinone C15H9ClO6 320.008765 NA MeJP NA NA +MJ032932 2-Chloro-1,3,8-trihydroxy-6-hydroxymethylanthraquinone C15H9ClO6 320.008765 NA MeJP NA NA +MJ032933 3-Chloro-1,2,4,5-tetrahydroxy-7-methylanthraquinone C15H9ClO6 320.008765 NA MeJP NA NA +MJ032934 8-Chloro-3',4',5,7-tetrahydroxyisoflavone C15H9ClO6 320.008765 NA MeJP NA NA +MJ032935 Delorazepam; 3-Hydroxy C15H10Cl2N2O2 320.011932 NA MeJP NA NA +MJ032936 Lonidamine C15H10Cl2N2O2 320.011932 NA MeJP NA NA +MJ032937 Luteolic acid C14H8O9 320.016831 NA MeJP NA NA +MJ032938 4-Bromo-3-(1-hydroxybutyl)-5-methoxy-5-methyl-2(5H)-furanone, Ac C12H17BrO5 320.025936 NA MeJP NA NA +C14429 Phenthoate C12H17O4PS2 320.0306 NA KEGG NA NA +FLIE1CNF0001 Erosnin;Erosnine;Erosinin C18H8O6 320.03208 3736-83-2 knapsack NA NA +MJ032939 Erosnine C18H8O6 320.032087 NA MeJP NA NA +MJ032940 Merisoprol; Ac C5H10HgO3 320.033619 NA MeJP NA NA +MJ032941 Sufosfamide C8H18ClN2O5PS 320.036256 NA MeJP NA NA +MJ032942 16-Bromo-7,11,15-hexadecatriene-5,13-diynoic acid C16H17BrO2 320.041192 NA MeJP NA NA +FL2FAANMH001 8-Chloro-5,7,4'-trihydroxy-3-C-methylflavanone C16H13ClO5 320.04515 132342-07-5 knapsack NA NA +MJ032943 1-Chloro-2,4,5-trihydroxy-7-methylanthraquinone; 10-Alcohol, 5-Me ether C16H13ClO5 320.045151 NA MeJP NA NA +MJ032944 2-Chloro-1,3,6-trihydroxy-8-methylxanthone; 3,6-Di-Me ether C16H13ClO5 320.045151 NA MeJP NA NA +MJ032945 2-Chloro-1,5,8-trihydroxy-6-methylxanthone; 5,8-Di-Me ether C16H13ClO5 320.045151 NA MeJP NA NA +MJ032946 5-Chloro-1,4,8-trihydroxy-3-methylxanthone; 1,4-Di-Me ether C16H13ClO5 320.045151 NA MeJP NA NA +MJ032947 8-Chloro-4',5,7-trihydroxy-3-methylflavanone C16H13ClO5 320.045151 NA MeJP NA NA +CJneg0519 Xanthosine [(M+Cl)]- C10H12ClN4O6 320.052925 C18rt(min)=4.27 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0519 Xanthosine [(M+Cl)]- C10H12ClN4O6 320.052925 C18rt(min)=4.27 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C02906 Dihydromyricetin C15H12O8 320.0532 NA KEGG NA NA +C03052 2,3-Dihydrogossypetin C15H12O8 320.0532 NA KEGG NA NA +FL1BAGNS0001 Amaronol A;(+)- 2,4,6-Trihydroxy-2-[(3,4,5-trihydroxyphenyl)methyl]-3(2H)-benzofuranone C15H12O8 320.05321 226560-96-9 knapsack NA NA +FL4DAGNS0001 Ampelopsin;(2R,3R)-3,5,7,3',4',5'-Hexahydroxyflavanone C15H12O8 320.05321 27200-12-0 knapsack NA NA +FL4DAGNS0002 Hovenitin III;(2R,3S)-3,5,7,3',4',5'-Hexahydroxyflavanone C15H12O8 320.05321 119439-94-0 knapsack NA NA +MJ032948 1,2,3,6,7,8-Hexahydroxyxanthone; 2,7-Di-Me ether C15H12O8 320.053217 NA MeJP NA NA +MJ032949 2',3,4',5,5',7-Hexahydroxyflavanone C15H12O8 320.053217 NA MeJP NA NA +MJ032950 3,3',4',5,5',7-Hexahydroxyflavanone C15H12O8 320.053217 NA MeJP NA NA +MJ032951 Alternarian acid C15H12O8 320.053217 NA MeJP NA NA +MJ032952 Amaronol A C15H12O8 320.053217 NA MeJP NA NA +MJ032953 Brevifolincarboxylic acid; Et ester C15H12O8 320.053217 NA MeJP NA NA +MJ032954 Coronatoquinone C15H12O8 320.053217 NA MeJP NA NA +MJ032955 Fusarubinoic acid C15H12O8 320.053217 NA MeJP NA NA +MJ032956 Dihydromyricetin C15H12O8 320.053217 NA MeJP NA NA +MetaCyc02827 dihydromyricetin [ampelopsin;] C15H12O8 320.053217 NA metacyc NA NA +MetaCyc02828 2,3-dihydroquercetagetin [] C15H12O8 320.053217 NA metacyc NA NA +MetaCyc02829 2,3-dihydrogossypetin [] C15H12O8 320.053217 NA metacyc NA NA +MJ032957 1,6,10-Trihydroxy-8-methyl-5,12-naphthacenedione C19H12O5 320.068473 NA MeJP NA NA +MJ032958 1,6,8-Trihydroxy-3-methylbenz[a]anthracene-7,12-dione C19H12O5 320.068473 NA MeJP NA NA +MJ032959 1,8-Dihydroxy-3-methylbenz[a]anthracene-7,12-dione; 1'-Hydroxy C19H12O5 320.068473 NA MeJP NA NA +MJ032960 4-Hydroxy-3-methoxy-5-phenylnaphthalic anhydride C19H12O5 320.068473 NA MeJP NA NA +MJ032961 Palmarumycin C6 C19H12O5 320.068473 NA MeJP NA NA +MJ032962 Phlebiarubrone; 4'-Hydroxy C19H12O5 320.068473 NA MeJP NA NA +C12390 Dehydrorabelomycin C19H12O5 320.0685 NA KEGG NA NA +C12399 19-Hydroxytetrangulol C19H12O5 320.0685 NA KEGG NA NA +MJ032963 Fenirofibrate C17H17ClO4 320.081536 NA MeJP NA NA +MJ032964 Flustramine C; 8,8a-Dihydro C16H21BrN2 320.088811 NA MeJP NA NA +MJ032965 Flustramine E C16H21BrN2 320.088811 NA MeJP NA NA +C02947 4-Coumaroylshikimate C16H16O7 320.0896 NA KEGG NA NA +C11586 alpha-Naphthyl-beta-D-glucuronide C16H16O7 320.0896 NA KEGG NA NA +FL1DHYNS0001 Gliricidol C16H16O7 320.0896 72061-66-6 knapsack NA NA +FL63AJNS0001 Gallocatechin 4'-methyl ether C16H16O7 320.0896 149561-85-3 knapsack NA NA +FL63AJNS0002 Ourateacatechin C16H16O7 320.0896 17291-05-3 knapsack NA NA +FL63AJNS0003 ent-Gallocatechin 4'-methyl ether C16H16O7 320.0896 139687-23-3 knapsack NA NA +FL6D3CNS0004 Mesquitol-4alpha-ol 8-methyl ether C16H16O7 320.0896 29810-21-7 knapsack NA NA +MJ032966 1,2,3,4,6,7-Dibenzofuranhexol; 1,3,4,6-Tetra-Me ether C16H16O7 320.089602 NA MeJP NA NA +MJ032967 1,2,3,4-Tetrahydro-1,2,4,5-tetrahydroxy-7-methoxy-2-methylanthraquinone C16H16O7 320.089602 NA MeJP NA NA +MJ032968 1,6:4,5-Diepoxy-2,3-dihydroxy-1-cyclohexanemethanol, 1'-Benzoyl, 2-Ac C16H16O7 320.089602 NA MeJP NA NA +MJ032969 1,6:4,5-Diepoxy-2,3-dihydroxy-1-cyclohexanemethanol, 1'-Benzoyl, 3-Ac C16H16O7 320.089602 NA MeJP NA NA +MJ032970 2-Hydroxy-5-(hydroxyacetyl)benzoic acid; 2-(2-Methyl-2-propenoyl), 2'-Ac, Me ester C16H16O7 320.089602 NA MeJP NA NA +MJ032971 3,3',4',5,5',7-Hexahydroxyflavan, 4'-Me ether C16H16O7 320.089602 NA MeJP NA NA +MJ032972 3,3',4,4',7,8-Hexahydroxyflavan, 4'-Me ether C16H16O7 320.089602 NA MeJP NA NA +MJ032973 3,3',4,4',7,8-Hexahydroxyflavan, 8-Me ether C16H16O7 320.089602 NA MeJP NA NA +MJ032974 3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 3-O-(4-Hydroxycinnamoyl)(E-) C16H16O7 320.089602 NA MeJP NA NA +MJ032975 4-O-Caffeoylshikimic acid; 3''-Deoxy C16H16O7 320.089602 NA MeJP NA NA +MJ032976 6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 6,8-Di-Me ether, 7-O-(2,3-epoxy-3-methylbutanoyl) C16H16O7 320.089602 NA MeJP NA NA +MJ032977 7-Hexanoyl-2,5,7,8-tetrahydroxy-1,4-naphthoquinone C16H16O7 320.089602 NA MeJP NA NA +MJ032978 ?,2',3,4,4',5-Hexahydroxydihydrochalcone; 4''-Me ether C16H16O7 320.089602 NA MeJP NA NA +MJ032979 Altersolanol A; 3-Epimer, 4-deoxy C16H16O7 320.089602 NA MeJP NA NA +MJ032980 Altersolanol A; 4-Deoxy C16H16O7 320.089602 NA MeJP NA NA +MJ032981 Austrocortirubin C16H16O7 320.089602 NA MeJP NA NA +MJ032982 Barceloneic acid A C16H16O7 320.089602 NA MeJP NA NA +MJ032983 Bostrycin; 6-Deoxy C16H16O7 320.089602 NA MeJP NA NA +MJ032984 Fusarubin; 3-Me ether C16H16O7 320.089602 NA MeJP NA NA +MJ032985 Fusarubin; 9-Me ether C16H16O7 320.089602 NA MeJP NA NA +MJ032986 Haematoxylol B C16H16O7 320.089602 NA MeJP NA NA +MJ032987 Nanaomycin B C16H16O7 320.089602 NA MeJP NA NA +MJ032988 Rehmaglutin C; 6-O-(4-Hydroxybenzoyl) C16H16O7 320.089602 NA MeJP NA NA +MJ032989 Stenocarpin; O-(2-Methylpropanoyl) C16H16O7 320.089602 NA MeJP NA NA +MJ032990 Ventiloquinone D; O-De-Me C16H16O7 320.089602 NA MeJP NA NA +MJ032991 ?-Diversonolic ester C16H16O7 320.089602 NA MeJP NA NA +MetaCyc02830 4-coumaroylshikimate [trans-5-O-(4-Coumaroyl)shikimate;trans-(p-coumaroyl)-shikimate;] C16H16O7 320.089603 NA metacyc NA NA +C16938 Coptisine C19H14NO4 320.0923 NA KEGG NA NA +MJ032992 Eniporide C14H16N4O3S 320.094311 NA MeJP NA NA +MJ032993 4-Methyl N-[(2,3-dihydro-2-oxo-1H-indol-3-yl)acetyl]aspartate C15H16N2O6 320.100836 NA MeJP NA NA +FL3FA9NP0001 5-Hydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavone C20H16O4 320.10485 34187-25-2 knapsack NA NA +FLIA1ANP0001 Corylin C20H16O4 320.10485 53947-92-5 knapsack NA NA +FLIA1ANP0002 Erythrinin A C20H16O4 320.10485 63807-86-3 knapsack NA NA +FLIDWXNP0001 Anhydrotuberosin;3-Hydroxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpene C20H16O4 320.10485 41347-49-3 knapsack NA NA +MJ032994 2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol, 1-Ketone, 4'-Me ether C20H16O4 320.104859 NA MeJP NA NA +MJ032995 2,5-Dihydroxy-3,6-diphenyl-1,4-benzoquinone; Di-Me ether C20H16O4 320.104859 NA MeJP NA NA +MJ032996 Anhydrotuberosin C20H16O4 320.104859 NA MeJP NA NA +MJ032997 Bidwillon C C20H16O4 320.104859 NA MeJP NA NA +MJ032998 Corylin C20H16O4 320.104859 NA MeJP NA NA +MJ032999 Erythrinin A C20H16O4 320.104859 NA MeJP NA NA +MJ033000 Isopongaflavone; O-De-Me C20H16O4 320.104859 NA MeJP NA NA +MJ033001 Ochromycinone, Me ether C20H16O4 320.104859 NA MeJP NA NA +MJ033002 Palmarumycin CP1; 2,3-Dihydro, 4?-alcohol C20H16O4 320.104859 NA MeJP NA NA +MJ033003 Xestoquinolide A C20H16O4 320.104859 NA MeJP NA NA +C14223 Phenolphthalin C20H16O4 320.1049 NA KEGG NA NA +MJ033004 3-Acetoxytetrahydro-2-[(3-methylsulfinyl)-1,3-nonadien-5,7-diynyl]-2H-pyran C17H20O4S 320.108229 NA MeJP NA NA +MJ033005 Cirsiumoside C13H20O9 320.110732 NA MeJP NA NA +PJ000293 GNM C11H20N4O5S 320.1155 NA PeJP NA NA +MJ033006 3-p-Anisylidene-6-benzylidene-2,5-piperazinedione C19H16N2O3 320.116092 NA MeJP NA NA +MJ033007 Alangimaridine, 13,13a-Didehydro C19H16N2O3 320.116092 NA MeJP NA NA +MJ033008 Darlucin A C19H16N2O3 320.116092 NA MeJP NA NA +MJ033009 Isoalangimarine C19H16N2O3 320.116092 NA MeJP NA NA +MJ033010 Leptocillin C19H16N2O3 320.116092 NA MeJP NA NA +MJ033011 Nauclefoline C19H16N2O3 320.116092 NA MeJP NA NA +C09329 Alangimarine C19H16N2O3 320.1161 NA KEGG NA NA +MJ033012 5-Ethyl-5-[4-(4-fluorophenyl)-4-oxobutyl]-2,4,6(1H,3H,5H)-pyrimidinetrione C16H17FN2O4 320.117235 NA MeJP NA NA +MJ033013 Reductiline C16H20N2O3S 320.119463 NA MeJP NA NA +MJ033014 Mugineic acid C12H20N2O8 320.121965 NA MeJP NA NA +C15500 Mugineic acid C12H20N2O8 320.122 NA KEGG NA NA +C15502 3-Epihydroxy-2'-deoxymugineic acid C12H20N2O8 320.122 NA KEGG NA NA +8096 ACE inhibitor AGSS 320.122 inhibitor Inhouse_peptide NA peptide +MJ033015 Triciribine C13H16N6O4 320.123303 NA MeJP NA NA +MJ033016 Wybutine, 2''-Hydroxy C13H16N6O4 320.123303 NA MeJP NA NA +MJ033017 Ye-base C13H16N6O4 320.123303 NA MeJP NA NA +MJ033018 1,15-Dihydroxy-4,9,11(13)-germacratriene-12,6:14,8-diolide, O1-Et C17H20O6 320.125988 NA MeJP NA NA +MJ033019 1,2-Bis(4-hydroxy-3-methoxyphenyl)-1,3-propanediol C17H20O6 320.125988 NA MeJP NA NA +MJ033020 1,3,13-Trihydroxy-4,7(11),10(14)-germacratrien-12,6-olide, 1-Ketone, 3-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033021 1,3,4,4a,9a,10-Hexahydro-4,5,8-trihydroxy-6-methoxy-4a-methyl-10,1-(epoxymethano)anthracen-9(2H)-one C17H20O6 320.125988 NA MeJP NA NA +MJ033022 1,3,8-Trihydroxy-4,11(13)-eudesmadien-12,6-olide, 3-Ketone, 8-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033023 1,4,14-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 2,3-Didehydro, 4-ketone, 14-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033024 1,4,8-Trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 8-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033025 1,8-Dihydroxy-2-oxo-3,7(11)-eudesmadien-12,8-olide, 1-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033026 1-(2,3,4-Trihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',4,5'-Tri-Me ether C17H20O6 320.125988 NA MeJP NA NA +MJ033027 1-(3,4-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-2-propanol; 2',3''-Di-Me ether C17H20O6 320.125988 NA MeJP NA NA +MJ033028 10,14-Epoxy-3,8-dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 8-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033029 10,14-Epoxy-3,8-dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 3-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033030 15-Hydroxy-1-oxo-4,10(14),11(13)-germacratrien-12,8-olide, 4?,5?-Epoxide, Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033031 17-Hydroxy-13,14,15,16-tetranor-7,9(11)-labdadiene-12,17:19,6-diolide, 7?,8?-Epoxide, Me ether C17H20O6 320.125988 NA MeJP NA NA +MJ033032 2,3-Epoxy-14,15-dihydroxy-1,3,11(13)-elematrien-12,8-olide, 14-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033033 2,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-Aldehyde, 8-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033034 3,20-Epoxy-3,14-dihydroxy-13-oxo-8(14)-podocarpen-19,6-olide C17H20O6 320.125988 NA MeJP NA NA +MJ033035 3,4-Epoxy-1,8-dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033036 3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 10?,14-Epoxide, 3-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033037 3,8,9-Trihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033038 3,8,9-Trihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 9-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033039 3-Hydroxy-1(10),4-germacradiene-12,8:15,6-diolide, Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033040 4,8-Dihydroxy-1-oxo-2-eudesmen-12,6-olide, 11,13-Didehydro, 8-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033041 5,7-Dihydroxy-6-methyl-3-oxo-4(1H)-isobenzofurancarboxylic acid; 5-Me ether, 7-O-(3-methyl-2-butenyl), Me ester C17H20O6 320.125988 NA MeJP NA NA +MJ033042 5-Hydroxy-2,6,10-farnesatriene-1,15:13,9-diolide; Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033043 6,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14-Aldehyde, 15-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033044 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 9-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033045 7-Ethyl-4,8-dihydroxy-3,6-dimethoxy-4-(2-oxopropyl)-1(4H)-naphthalenone C17H20O6 320.125988 NA MeJP NA NA +MJ033046 8,13-Dihydroxy-1-oxo-4,7(11),10(14)-germacratrien-12,6-olide, 13-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033047 8,14,15-Trihydroxy-1,3,11(13)-elematrien-12,6-olide, 14-Aldehyde, 15-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033048 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 15-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033049 8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033050 8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether, 2'-O-Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033051 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033052 Aposphaerin A C17H20O6 320.125988 NA MeJP NA NA +MJ033053 Cavoxin C17H20O6 320.125988 NA MeJP NA NA +MJ033054 Cavoxone C17H20O6 320.125988 NA MeJP NA NA +MJ033055 Helipyrone C17H20O6 320.125988 NA MeJP NA NA +MJ033056 Isosecotanapartholide; 3-Epimer, Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033057 Isosecotanapartholide; Ac C17H20O6 320.125988 NA MeJP NA NA +MJ033058 Murragleinin; 3'-Deoxy, 2'-ketone C17H20O6 320.125988 NA MeJP NA NA +MJ033059 Mycophenolic acid C17H20O6 320.125988 NA MeJP NA NA +MJ033060 PR Toxin C17H20O6 320.125988 NA MeJP NA NA +MJ033061 Scytalol C C17H20O6 320.125988 NA MeJP NA NA +MJ033062 Tarchonanthuslactone C17H20O6 320.125988 NA MeJP NA NA +MJ033063 Virolaflorin C17H20O6 320.125988 NA MeJP NA NA +MJ033064 PR-toxin C17H20O6 320.125988 NA MeJP NA NA +C06079 PR-toxin C17H20O6 320.126 NA KEGG NA NA +C09298 Arctolide C17H20O6 320.126 NA KEGG NA NA +C09373 Conchosin B C17H20O6 320.126 NA KEGG NA NA +MJ033065 5,9-Dihydro-9-methyl-2-phenyl[1,2,4]triazolo[5,1-a][2,7]naphthyridine-6-acetic acid C18H16N4O2 320.127325 NA MeJP NA NA +MJ033066 Amifloxacin; N4'-De-Me C15H17FN4O3 320.128468 NA MeJP NA NA +MJ033067 Enoxacin C15H17FN4O3 320.128468 NA MeJP NA NA +MJ033068 Esafloxacin C15H17FN4O3 320.128468 NA MeJP NA NA +C06979 Enoxacin C15H17FN4O3 320.1285 NA KEGG NA NA +MJ033069 Jaeschkenol C16H26Cl2O2 320.130985 NA MeJP NA NA +PJ000294 SSQ C11H20N4O7 320.1332 NA PeJP NA NA +MJ033070 5-Ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione; 1,3-Bis(methoxymethyl) C16H20N2O5 320.137221 NA MeJP NA NA +MJ033071 Fusarochromanone; N3'-Formyl C16H20N2O5 320.137221 NA MeJP NA NA +FL6FWXNF0001 Hildgardtene C21H20O3 320.14124 104777-96-0 knapsack NA NA +MJ033072 15-(4-Hydroxyphenyl)-2,4,6,8,10,12,14-pentadecaheptaenoic acid C21H20O3 320.141244 NA MeJP NA NA +MJ033073 7-Methoxy-8-(3-methyl-1,3-butadienyl)flavanone C21H20O3 320.141244 NA MeJP NA NA +MJ033074 Abbottin C21H20O3 320.141244 NA MeJP NA NA +MJ033075 Hildgardtene C21H20O3 320.141244 NA MeJP NA NA +MJ033076 Terferol; Di-Me ether C21H20O3 320.141244 NA MeJP NA NA +MJ033077 3,6-Di-tert-butyl-1-naphthalenesulfonic acid C18H24O3S 320.144615 NA MeJP NA NA +MJ033078 1-(2-Hydroxyethyl)-1,4-cyclohexanediol, 4-Ketone, 2'-?-D-glucopyranoside C14H24O8 320.147117 NA MeJP NA NA +HMDB00901 Valproic acid glucuronide C14H24O8 320.147125 NA HMDB2010 NA NA +HMDB10347 Octanoylglucuronide C14H24O8 320.147125 NA HMDB2010 NA NA +HMDB00901 Valproic acid glucuronide C14H24O8 320.14713 http://www.hmdb.ca/metabolites/HMDB00901 PFEM_hmdb_metabocards_urine NA urine +HMDB00901 Valproic acid glucuronide C14H24O8 320.14713 http://www.hmdb.ca/metabolites/HMDB00901 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00901 Valproic acid glucuronide C14H24O8 320.14713 http://www.hmdb.ca/metabolites/HMDB00901 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00901 Valproic acid glucuronide C14H24O8 320.14713 http://www.hmdb.ca/metabolites/HMDB00901 HMDB NA NA +HMDB00901 Valproic acid glucuronide C14H24O8 320.14713 HMDB00901 PFEM_hmdb_metabocards_official NA NA +CJneg0520 Octanoylglucuronide [(M-H)]- C14H23O8 320.147625 C18rt(min)=8.06 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0520 Octanoylglucuronide [(M-H)]- C14H23O8 320.147625 C18rt(min)=8.06 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ033079 Lesopitron C15H21ClN6 320.151622 NA MeJP NA NA +PJ000295 ACK C12H24N4O4S 320.1518 NA PeJP NA NA +MJ033080 10,22-Dioxokopsane C20H20N2O2 320.152477 NA MeJP NA NA +MJ033081 Befuraline C20H20N2O2 320.152477 NA MeJP NA NA +MJ033082 Feprazone C20H20N2O2 320.152477 NA MeJP NA NA +MJ033083 Javacarboline C20H20N2O2 320.152477 NA MeJP NA NA +MJ033084 Meloscandonine C20H20N2O2 320.152477 NA MeJP NA NA +MJ033085 Nauclefiline C20H20N2O2 320.152477 NA MeJP NA NA +MJ033086 Odalprofen C20H20N2O2 320.152477 NA MeJP NA NA +MJ033087 Peronatin B C20H20N2O2 320.152477 NA MeJP NA NA +C14307 11beta-Chloromethylestradiol C19H25ClO2 320.1543 NA KEGG NA NA +C15010 16beta-Chloroandrost-4-ene-3,17-dione C19H25ClO2 320.1543 NA KEGG NA NA +MJ033088 1,6-Dihydroxyfuranoeremophilan-9-one, 6-Propanoyl C18H24O5 320.162373 NA MeJP NA NA +MJ033089 1-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1,4'-bis(2-methylpropanoyl) C18H24O5 320.162373 NA MeJP NA NA +MJ033090 2,2',4',6'-Tetrahydroxyacetophenone; 2'-O-(3,7-Dimethyl-2,6-octadienyl) C18H24O5 320.162373 NA MeJP NA NA +MJ033091 2,2',4',6'-Tetrahydroxyacetophenone; 4'-O-(3,7-Dimethyl-2,6-octadienyl) C18H24O5 320.162373 NA MeJP NA NA +MJ033092 4-(5-Cyclohexyl-2,4-dimethoxyphenyl)-4-oxobutanoic acid C18H24O5 320.162373 NA MeJP NA NA +MJ033093 5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran; 2'',3''-Dihydro, 2'',3''-dihydroxy C18H24O5 320.162373 NA MeJP NA NA +MJ033094 6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, Propanoyl C18H24O5 320.162373 NA MeJP NA NA +MJ033095 8,12-Epoxy-2,5-dihydroxy-1(10),7,11-germacratrien-6-one, O2-Me, 5-Ac C18H24O5 320.162373 NA MeJP NA NA +MJ033096 8,9-Epoxy-p-mentha-1,3,5-triene-3,7-diol; Bis(2-methylpropanoyl) C18H24O5 320.162373 NA MeJP NA NA +MJ033097 8-Acetyl-5,7-dihydroxy-2,2-dimethyl-6-(3-methyl-2-butenyl)-2H-1-benzopyran; 3,4-Dihydro, 3?-hydroxy C18H24O5 320.162373 NA MeJP NA NA +MJ033098 8-Hydroxy-1-oxo-4-eudesmen-12,6-olide, Propanoyl C18H24O5 320.162373 NA MeJP NA NA +MJ033099 9,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 9-Propanoyl C18H24O5 320.162373 NA MeJP NA NA +MJ033100 9,10-Epoxy-p-mentha-1,3,5-triene-3,8-diol; Bis(2-methylpropanoyl) C18H24O5 320.162373 NA MeJP NA NA +MJ033101 Colletochlorin A, Dechloro, 6'-ketone C18H24O5 320.162373 NA MeJP NA NA +MJ033102 Hamigeran E; Debromo C18H24O5 320.162373 NA MeJP NA NA +MJ033103 Nordinone C18H24O5 320.162373 NA MeJP NA NA +MJ033104 Oudemansin; Oudemansin X C18H24O5 320.162373 NA MeJP NA NA +MJ033105 Plagiochiline L; Me ester C18H24O5 320.162373 NA MeJP NA NA +MJ033106 Tomentellin; ?3'-Isomer(E-), 6',7'-dihydro, O3-de-Me C18H24O5 320.162373 NA MeJP NA NA +MJ033107 Trisporic acid D C18H24O5 320.162373 NA MeJP NA NA +MJ033108 Zearalanol, 11,12E-Didehydro C18H24O5 320.162373 NA MeJP NA NA +C14750 alpha-Zearalenol C18H24O5 320.1624 NA KEGG NA NA +C14751 beta-Zearalenol C18H24O5 320.1624 NA KEGG NA NA +C14754 Zearalanone C18H24O5 320.1624 NA KEGG NA NA +MJ033109 Rodocaine C18H25ClN2O 320.165541 NA MeJP NA NA +PJ000296 SSK C12H24N4O6 320.1696 NA PeJP NA NA +MJ033110 2-[4-[(2-Phenyl-1H-imidazol-4-yl)methyl]-1-piperazinyl]pyrimidine C18H20N6 320.174944 NA MeJP NA NA +C15165 12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-one C19H25FO3 320.1788 NA KEGG NA NA +MJ033111 (4-Aminobutyl)guanidine; N1-(3,4-Dimethoxycinnamoyl) C16H24N4O3 320.18484 NA MeJP NA NA +MJ033112 Denbufylline C16H24N4O3 320.18484 NA MeJP NA NA +MJ033113 Ciprafamide C21H24N2O 320.188863 NA MeJP NA NA +MJ033114 Cylindricine G C18H28N2OS 320.192234 NA MeJP NA NA +MJ033115 Antibiotic Y 03762J C14H28N2O6 320.194736 NA MeJP NA NA +MJ033116 Diptocarpidine; S,S'-Dideoxy C15H32N2OS2 320.195605 NA MeJP NA NA +MJ033117 1,4-Diacetoxy-2-[(2,2-dimethyl-6-methylenecyclohexyl)ethyl]-1,3-butadiene C19H28O4 320.198759 NA MeJP NA NA +MJ033118 1-Heptadecene-11,13-diyne-8,9,10-triol, 8-Ac C19H28O4 320.198759 NA MeJP NA NA +MJ033119 1-Heptadecene-4,6-diyne-3,9,10-triol, 10-Ac C19H28O4 320.198759 NA MeJP NA NA +MJ033120 15,16-Epoxy-18-nor-8(17),13(16),14-labdatriene-2,3,19-triol C19H28O4 320.198759 NA MeJP NA NA +MJ033121 15-Hydroxy-3,11(13)-eudesmadien-12-oic acid; Butanoyl C19H28O4 320.198759 NA MeJP NA NA +MJ033122 2,19-Epoxy-2,3-dihydroxyandrostan-16-one C19H28O4 320.198759 NA MeJP NA NA +MJ033123 2-Hydroxy-15-oxo-18-nor-19-kauranoic acid C19H28O4 320.198759 NA MeJP NA NA +MJ033124 3(15)-Gymnomitrene-1,10-diol, Di-Ac C19H28O4 320.198759 NA MeJP NA NA +MJ033125 3,16,18-Trihydroxyandrost-5-en-17-one C19H28O4 320.198759 NA MeJP NA NA +MJ033126 3,9-Dihydroxy-1(10),11-spirovetivadien-2-one, 9-(2-Methylpropanoyl) C19H28O4 320.198759 NA MeJP NA NA +MJ033127 3-Hydroxy-16-nor-2-oxo-3-erythroxylen-15-oic acid C19H28O4 320.198759 NA MeJP NA NA +MJ033128 3-Hydroxy-17-nor-8-oxo-13-labden-15-oic acid, 3-Ketone C19H28O4 320.198759 NA MeJP NA NA +MJ033129 4(15),10(14),11-Germacratriene-3,9-diol, Di-Ac C19H28O4 320.198759 NA MeJP NA NA +MJ033130 4,11(13)-Cadinadiene-12,15-diol, Di-Ac C19H28O4 320.198759 NA MeJP NA NA +MJ033131 4,7(11)-Eudesmadiene-12,13-diol; Di-Ac C19H28O4 320.198759 NA MeJP NA NA +MJ033132 4-Isocedrene-14,15-diol; Di-Ac C19H28O4 320.198759 NA MeJP NA NA +MJ033133 9-Formyl-15-hydroxy-6,9,11,13-heptadecatetraenoic acid, Me ester C19H28O4 320.198759 NA MeJP NA NA +MJ033134 Atractyligenin C19H28O4 320.198759 NA MeJP NA NA +MJ033135 Brombyin 5 C19H28O4 320.198759 NA MeJP NA NA +MJ033136 Flexilin C19H28O4 320.198759 NA MeJP NA NA +MJ033137 Fukinanolide; 9?-Hydroxy, 9-(2-methylpropanoyl) C19H28O4 320.198759 NA MeJP NA NA +MJ033138 Furanoeremophilane-1,3-diol, 3-(2-Methylpropanoyl) C19H28O4 320.198759 NA MeJP NA NA +MJ033139 Furanoeremophilane-6,10-diol, 6-(2-Methylpropanoyl) C19H28O4 320.198759 NA MeJP NA NA +MJ033140 Gingerdiones; [8]Gingerdione C19H28O4 320.198759 NA MeJP NA NA +MJ033141 Monacolin J C19H28O4 320.198759 NA MeJP NA NA +MJ033142 Oryzalide A C19H28O4 320.198759 NA MeJP NA NA +MJ033143 Oryzalide B C19H28O4 320.198759 NA MeJP NA NA +MJ033144 Pentandranoic acid B C19H28O4 320.198759 NA MeJP NA NA +MJ033145 Platycarphol C19H28O4 320.198759 NA MeJP NA NA +MJ033146 Sandresolide A; 5?-Hydroxy C19H28O4 320.198759 NA MeJP NA NA +MetaCyc02831 testolate [] C19H28O4 320.198759 NA metacyc NA NA +MetaCyc02832 QH2 [ubiquinol;coQH2;] C19H28O4 320.198759 56275-39-9 metacyc NA NA +HMDB01304 QH2 C19H28O4 320.19876 http://www.hmdb.ca/metabolites/HMDB01304 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01304 QH2 C19H28O4 320.19876 http://www.hmdb.ca/metabolites/HMDB01304 HMDB NA NA +HMDB01304 QH2 C19H28O4 320.19876 http://www.hmdb.ca/metabolites/HMDB01304 PFEM_hmdb_metabocards_blood NA blood +HMDB01304 QH2 C19H28O4 320.19876 HMDB01304 PFEM_hmdb_metabocards_official NA NA +HMDB01304 QH2 C19H28O4 320.198761 NA HMDB2010 NA NA +C01618 Testolate C19H28O4 320.1988 NA KEGG NA NA +C09685 10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane C19H28O4 320.1988 NA KEGG NA NA +MJ033147 Fortimicin KR1 C13H28N4O5 320.20597 NA MeJP NA NA +MJ033148 13-Hydroxylupanine; O-Propanoyl C18H28N2O3 320.209992 NA MeJP NA NA +MJ033149 3,4-Diethoxy-?-methoxy-N-(1-methyl-2-pyrrolidinylidene)benzeneethanamine C18H28N2O3 320.209992 NA MeJP NA NA +MJ033150 2-Amino-12 methyl-1,3,12-tetradecanetriol; N-Hydroxy, N-nitroso C15H32N2O5 320.231122 NA MeJP NA NA +EUR109 8(9)-EET C20H32O3 320.2351 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR110 11(12)-EET C20H32O3 320.2351 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR111 14(15)-EET C20H32O3 320.2351 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR137 5-HETE C20H32O3 320.2351 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR138 8-HETE C20H32O3 320.2351 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR139 9-HETE C20H32O3 320.2351 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR140 11-HETE C20H32O3 320.2351 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR141 12-HETE C20H32O3 320.2351 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR142 15-HETE C20H32O3 320.2351 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR143 19-HETE C20H32O3 320.2351 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR144 20-HETE C20H32O3 320.2351 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR109 8(9)-EET C20H32O3 320.2351 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR110 11(12)-EET C20H32O3 320.2351 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR111 14(15)-EET C20H32O3 320.2351 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR137 5-HETE C20H32O3 320.2351 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR138 8-HETE C20H32O3 320.2351 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR139 9-HETE C20H32O3 320.2351 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR140 11-HETE C20H32O3 320.2351 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR141 12-HETE C20H32O3 320.2351 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR142 15-HETE C20H32O3 320.2351 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR143 19-HETE C20H32O3 320.2351 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR144 20-HETE C20H32O3 320.2351 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR109 8(9)-EET C20H32O3 320.2351 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR110 11(12)-EET C20H32O3 320.2351 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR111 14(15)-EET C20H32O3 320.2351 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR137 5-HETE C20H32O3 320.2351 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR138 8-HETE C20H32O3 320.2351 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR139 9-HETE C20H32O3 320.2351 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR140 11-HETE C20H32O3 320.2351 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR141 12-HETE C20H32O3 320.2351 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR142 15-HETE C20H32O3 320.2351 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR143 19-HETE C20H32O3 320.2351 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR144 20-HETE C20H32O3 320.2351 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR109 8(9)-EET C20H32O3 320.2351 Wishlist Inhousejuil11 NA NA +EUR110 11(12)-EET C20H32O3 320.2351 Wishlist Inhousejuil11 NA NA +EUR111 14(15)-EET C20H32O3 320.2351 Wishlist Inhousejuil11 NA NA +EUR137 5-HETE C20H32O3 320.2351 Wishlist Inhousejuil11 NA NA +EUR138 8-HETE C20H32O3 320.2351 Wishlist Inhousejuil11 NA NA +EUR139 9-HETE C20H32O3 320.2351 Wishlist Inhousejuil11 NA NA +EUR140 11-HETE C20H32O3 320.2351 Wishlist Inhousejuil11 NA NA +EUR141 12-HETE C20H32O3 320.2351 Wishlist Inhousejuil11 NA NA +EUR142 15-HETE C20H32O3 320.2351 Wishlist Inhousejuil11 NA NA +EUR143 19-HETE C20H32O3 320.2351 Wishlist Inhousejuil11 NA NA +EUR144 20-HETE C20H32O3 320.2351 Wishlist Inhousejuil11 NA NA +C04742 (15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate C20H32O3 320.2351 NA KEGG NA NA +C04805 5(S)-HETE C20H32O3 320.2351 NA KEGG NA NA +C14748 20-HETE C20H32O3 320.2351 NA KEGG NA NA +C14749 19(S)-HETE C20H32O3 320.2351 NA KEGG NA NA +C14768 5,6-EET C20H32O3 320.2351 NA KEGG NA NA +C14769 8,9-EET C20H32O3 320.2351 NA KEGG NA NA +C14770 11,12-EET C20H32O3 320.2351 NA KEGG NA NA +C14771 14,15-EET C20H32O3 320.2351 NA KEGG NA NA +C14776 8(S)-HETE C20H32O3 320.2351 NA KEGG NA NA +C14777 12(S)-HETE C20H32O3 320.2351 NA KEGG NA NA +C14778 16(R)-HETE C20H32O3 320.2351 NA KEGG NA NA +C14779 9(S)-HETE C20H32O3 320.2351 NA KEGG NA NA +C14780 11(R)-HETE C20H32O3 320.2351 NA KEGG NA NA +C14822 12(R)-HETE C20H32O3 320.2351 NA KEGG NA NA +C14824 8(R)-HETE C20H32O3 320.2351 NA KEGG NA NA +C14961 3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one C20H32O3 320.2351 NA KEGG NA NA +C15035 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one C20H32O3 320.2351 NA KEGG NA NA +C15041 17-Methylandrost-5-ene-3beta,11beta,17beta-triol C20H32O3 320.2351 NA KEGG NA NA +C15138 17beta-Methoxyandrost-5-ene-3beta,16beta-diol C20H32O3 320.2351 NA KEGG NA NA +C15349 11beta,17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one C20H32O3 320.2351 NA KEGG NA NA +HMDB02190 5,6-Epoxy-8,11,14-eicosatrienoic acid C20H32O3 320.235138 NA HMDB2010 NA NA +HMDB02232 8,9-Epoxyeicosatrienoic acid C20H32O3 320.235138 NA HMDB2010 NA NA +HMDB02283 14R,15S-EpETrE C20H32O3 320.235138 NA HMDB2010 NA NA +HMDB02344 Hydroxyeicosatetraenoic acid C20H32O3 320.235138 NA HMDB2010 NA NA +HMDB03876 15(S)-HETE C20H32O3 320.235138 NA HMDB2010 NA NA +HMDB04264 14,15-epoxy-5,8,11-eicosatrienoic acid C20H32O3 320.235138 NA HMDB2010 NA NA +HMDB04673 11,12-Epoxyeicosatrienoic acid C20H32O3 320.235138 NA HMDB2010 NA NA +HMDB04679 8-HETE C20H32O3 320.235138 NA HMDB2010 NA NA +HMDB04680 16(R)-HETE C20H32O3 320.235138 NA HMDB2010 NA NA +HMDB04682 11(R)-HETE C20H32O3 320.235138 NA HMDB2010 NA NA +HMDB05998 20-Hydroxyeicosatetraenoic acid C20H32O3 320.235138 NA HMDB2010 NA NA +HMDB06111 12-HETE C20H32O3 320.235138 NA HMDB2010 NA NA +HMDB06245 18-Hydroxyarachidonic acid C20H32O3 320.235138 NA HMDB2010 NA NA +HMDB10222 9-HETE C20H32O3 320.235138 NA HMDB2010 NA NA +HMDB10409 11,12-EpETrE C20H32O3 320.235138 NA HMDB2010 NA NA +HMDB11134 5-HETE C20H32O3 320.235138 NA HMDB2010 NA NA +HMDB11136 19(S)-HETE C20H32O3 320.235138 NA HMDB2010 NA NA +HMDB02110 15-Hydroxyeicosatetraenoic acid C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB02110 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03876 15(S)-HETE C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB03876 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06111 12-hydroxyeicosatetraenoic acid C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB06111 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02110 15-Hydroxyeicosatetraenoic acid C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB02110 HMDB NA NA +HMDB02190 5,6-epoxy-8,11,14-eicosatrienoic acid C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB02190 HMDB NA NA +HMDB02218 5-Hydroxyeicosatetraenoic acid C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB02218 HMDB NA NA +HMDB02232 8,9-epoxyeicosatrienoic acid C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB02232 HMDB NA NA +HMDB02283 14R,15S-EpETrE C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB02283 HMDB NA NA +HMDB02344 Hydroxyeicosatetraenoic acid C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB02344 HMDB NA NA +HMDB03876 15(S)-HETE C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB03876 HMDB NA NA +HMDB04264 14,15-epoxy-5,8,11-eicosatrienoic acid C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB04264 HMDB NA NA +HMDB04673 11,12-Epoxyeicosatrienoic acid C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB04673 HMDB NA NA +HMDB04679 8(S)-HETE C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB04679 HMDB NA NA +HMDB04680 16(R)-HETE C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB04680 HMDB NA NA +HMDB04682 11(R)-HETE C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB04682 HMDB NA NA +HMDB04698 12(R)-HETE C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB04698 HMDB NA NA +HMDB05080 8-HETE C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB05080 HMDB NA NA +HMDB05998 20-Hydroxyeicosatetraenoic acid C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB05998 HMDB NA NA +HMDB06111 12-hydroxyeicosatetraenoic acid C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB06111 HMDB NA NA +HMDB06244 12 hydroxy arachidonic acid C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB06244 HMDB NA NA +HMDB06245 18 hydroxy arachidonic acid C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB06245 HMDB NA NA +HMDB02110 15-Hydroxyeicosatetraenoic acid C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB02110 PFEM_hmdb_metabocards_blood NA blood +HMDB03876 15(S)-HETE C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB03876 PFEM_hmdb_metabocards_blood NA blood +HMDB06111 12-hydroxyeicosatetraenoic acid C20H32O3 320.23514 http://www.hmdb.ca/metabolites/HMDB06111 PFEM_hmdb_metabocards_blood NA blood +HMDB02110 15-Hydroxyeicosatetraenoic acid C20H32O3 320.23514 HMDB02110 PFEM_hmdb_metabocards_official NA NA +HMDB02190 5,6-epoxy-8,11,14-eicosatrienoic acid C20H32O3 320.23514 HMDB02190 PFEM_hmdb_metabocards_official NA NA +HMDB02218 5-Hydroxyeicosatetraenoic acid C20H32O3 320.23514 HMDB02218 PFEM_hmdb_metabocards_official NA NA +HMDB02232 8,9-epoxyeicosatrienoic acid C20H32O3 320.23514 HMDB02232 PFEM_hmdb_metabocards_official NA NA +HMDB02283 14R,15S-EpETrE C20H32O3 320.23514 HMDB02283 PFEM_hmdb_metabocards_official NA NA +HMDB02344 Hydroxyeicosatetraenoic acid C20H32O3 320.23514 HMDB02344 PFEM_hmdb_metabocards_official NA NA +HMDB03876 15(S)-HETE C20H32O3 320.23514 HMDB03876 PFEM_hmdb_metabocards_official NA NA +HMDB04264 14,15-epoxy-5,8,11-eicosatrienoic acid C20H32O3 320.23514 HMDB04264 PFEM_hmdb_metabocards_official NA NA +HMDB04673 11,12-Epoxyeicosatrienoic acid C20H32O3 320.23514 HMDB04673 PFEM_hmdb_metabocards_official NA NA +HMDB04679 8(S)-HETE C20H32O3 320.23514 HMDB04679 PFEM_hmdb_metabocards_official NA NA +HMDB04680 16(R)-HETE C20H32O3 320.23514 HMDB04680 PFEM_hmdb_metabocards_official NA NA +HMDB04682 11(R)-HETE C20H32O3 320.23514 HMDB04682 PFEM_hmdb_metabocards_official NA NA +HMDB04698 12(R)-HETE C20H32O3 320.23514 HMDB04698 PFEM_hmdb_metabocards_official NA NA +HMDB05080 8-HETE C20H32O3 320.23514 HMDB05080 PFEM_hmdb_metabocards_official NA NA +HMDB05998 20-Hydroxyeicosatetraenoic acid C20H32O3 320.23514 HMDB05998 PFEM_hmdb_metabocards_official NA NA +HMDB06111 12-hydroxyeicosatetraenoic acid C20H32O3 320.23514 HMDB06111 PFEM_hmdb_metabocards_official NA NA +HMDB06244 12 hydroxy arachidonic acid C20H32O3 320.23514 HMDB06244 PFEM_hmdb_metabocards_official NA NA +HMDB06245 18 hydroxy arachidonic acid C20H32O3 320.23514 HMDB06245 PFEM_hmdb_metabocards_official NA NA +MJ033151 1(10),4-Germacradiene-6,8-diol, 8-(3-Methyl-2-butenoyl) C20H32O3 320.235144 NA MeJP NA NA +MJ033152 1(10),4-Germacradiene-6,8-diol, 8-Angeloyl C20H32O3 320.235144 NA MeJP NA NA +MJ033153 1(10),4-Germacradiene-6,8-diol, 8-Tigloyl C20H32O3 320.235144 NA MeJP NA NA +MJ033154 1(10)-Guaiene-8,11-diol, 8-(3-Methyl-2-butenoyl) C20H32O3 320.235144 NA MeJP NA NA +MJ033155 1(15),7-Dolastadiene-4,9,14-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033156 1(15),7-Dolastadiene-6,9,14-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033157 1(15),8-Dolastadiene-4,14,16-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033158 1(15),8-Dolastadiene-4,7,14-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033159 1,12-Epoxy-2,7,15-cembratriene-4,11-diol C20H32O3 320.235144 NA MeJP NA NA +MJ033160 1,19-Dihydroxy-2,6,10,14-phytatetraen-13-one C20H32O3 320.235144 NA MeJP NA NA +MJ033161 1,2-Dihydroxy-12-cassen-11-one C20H32O3 320.235144 NA MeJP NA NA +MJ033162 1,3,7,11-Cembratetraen-15-ol, 3R*,4S*:11R*,12S*-Diepoxide C20H32O3 320.235144 NA MeJP NA NA +MJ033163 1,4-Dihydroxy-2,7(19),10,14-phytatetraen-13-one C20H32O3 320.235144 NA MeJP NA NA +MJ033164 1,6,10,14-Phytatetraene-3,13-diol, 13-Ketone, 14,15-Epoxide C20H32O3 320.235144 NA MeJP NA NA +MJ033165 1,6,10-Farnesatriene-3,12-diol, 12-Angeloyl C20H32O3 320.235144 NA MeJP NA NA +MJ033166 1,6-Dihydroxy-2,7(19),10,14-phytatetraen-13-one C20H32O3 320.235144 NA MeJP NA NA +MJ033167 1,7-Dihydroxy-2,5,10,14-phytatetraen-13-one C20H32O3 320.235144 NA MeJP NA NA +MJ033168 1-(2,6-Dihydroxyphenyl)-1-tetradecanone C20H32O3 320.235144 NA MeJP NA NA +MJ033169 1-(4-Hydroxyphenyl)-5-tetradecanone; 3'-Hydroxy C20H32O3 320.235144 NA MeJP NA NA +MJ033170 1-Hydroxy-12-oxo-2,6,14-phytatrien-19-al C20H32O3 320.235144 NA MeJP NA NA +MJ033171 1-Hydroxy-2,6,10,14-phytatetraen-13-one, 2,3-Epoxide C20H32O3 320.235144 NA MeJP NA NA +MJ033172 1-Hydroxy-2,6,10,14-phytatetraen-19-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033173 1-Silphinene-3,5-diol; 5-(3-Methylbutanoyl) C20H32O3 320.235144 NA MeJP NA NA +MJ033174 10,11-Epoxy-2,7,12(20)-cembratriene-4,6-diol C20H32O3 320.235144 NA MeJP NA NA +MJ033175 11,12-Epoxy-2,7-cembradiene-4,6-diol, 6-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033176 11,12-Epoxy-7,17-sacculatadiene-1,11-diol C20H32O3 320.235144 NA MeJP NA NA +MJ033177 11,13-Epoxy-8(12),17-sacculatadiene-13,15-diol C20H32O3 320.235144 NA MeJP NA NA +MJ033178 11,16-Epoxy-1,17-kauranediol C20H32O3 320.235144 NA MeJP NA NA +MJ033179 11-Hydroxy-14-oxo-19-chinanal; 11?-form C20H32O3 320.235144 NA MeJP NA NA +MJ033180 11-Hydroxy-5,8,12,14-eicosatetraenoic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033181 12,15-Dihydroxy-8(17),13-labdadien-16-al C20H32O3 320.235144 NA MeJP NA NA +MJ033182 12,18(20)-Cyathadiene-7,14,19-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033183 12-Hydroxy-5,8,10,14-eicosatetraenoic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033184 13(16),14-Labdadiene-8,19-diol, 19-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033185 13,16-Spatadiene-5,15,18,19-tetrol, 19-Deoxy C20H32O3 320.235144 NA MeJP NA NA +MJ033186 13,17-Spatadiene-5,16-diol, 17?,18-Epoxide C20H32O3 320.235144 NA MeJP NA NA +MJ033187 13,18-Dihydroxy-8(14)-abieten-7-one; 13?-form C20H32O3 320.235144 NA MeJP NA NA +MJ033188 13,18-Dihydroxy-8,10,15-lobatrien-17-one C20H32O3 320.235144 NA MeJP NA NA +MJ033189 13,18-Dihydroxy-8,14-labdadien-7-one C20H32O3 320.235144 NA MeJP NA NA +MJ033190 13-Atisene-1,16,17-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033191 13-Atisene-11,16,17-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033192 13-Atisene-7,16,17-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033193 13-Hydroxy-1(10),14-halimadien-18-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033194 13-Hydroxy-1(10),14-halimadien-19-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033195 13-Hydroxy-5,8,11,14-eicosatetraenoic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033196 13-Hydroxy-7,14-labdadien-19-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033197 13-Hydroxy-8(14)-totaren-19-oic acid; 13?-form C20H32O3 320.235144 NA MeJP NA NA +MJ033198 14,15-Dihydroxy-8(17),12-labdadien-16-al C20H32O3 320.235144 NA MeJP NA NA +MJ033199 14,15-Epoxy-5,8,11-eicosatrienoic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033200 14,16-Epoxy-7-isopimarene-6,15-diol C20H32O3 320.235144 NA MeJP NA NA +MJ033201 15,16-Dihydroxy-3-erythroxylen-2-one C20H32O3 320.235144 NA MeJP NA NA +MJ033202 15,16-Dihydroxy-8(14)-isopimaren-7-one C20H32O3 320.235144 NA MeJP NA NA +MJ033203 15,16-Epoxy-13(16),14-labdadiene-3,8-diol C20H32O3 320.235144 NA MeJP NA NA +MJ033204 15,16-Epoxy-13(16),14-labdadiene-8,12-diol C20H32O3 320.235144 NA MeJP NA NA +MJ033205 15,16-Epoxy-13(16),14-labdadiene-8,19-diol; 8?-form C20H32O3 320.235144 NA MeJP NA NA +MJ033206 15,16-Epoxy-2,3-kauranediol C20H32O3 320.235144 NA MeJP NA NA +MJ033207 15,16-Epoxy-8(14)-pimarene-1,11-diol C20H32O3 320.235144 NA MeJP NA NA +MJ033208 15-Beyerene-1,12,17-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033209 15-Beyerene-3,14,18-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033210 15-Beyerene-7,12,17-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033211 15-Beyerene-7,14,18-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033212 15-Hydroxy-1(10),13-halimadien-18-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033213 15-Hydroxy-3,7,11-cembratrien-19-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033214 15-Hydroxy-3-cleroden-18,19-olide C20H32O3 320.235144 NA MeJP NA NA +MJ033215 15-Hydroxy-5,8,11,13-eicosatetraenoic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033216 15-Isopimarene-7,8,14-triol, 7-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033217 15-Isopimarene-7,8,18-triol, 7-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033218 15-Kaurene-17,18-diol; ent-form, 17-Hydroperoxide C20H32O3 320.235144 NA MeJP NA NA +MJ033219 15-Kaurene-3,7,18-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033220 15-Kaurene-7,17,18-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033221 15-Kaurene-7,18-diol, 15?,16?-Epoxide C20H32O3 320.235144 NA MeJP NA NA +MJ033222 15-Pimarene-8,19-diol, 19-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033223 16,17,19-Kauranetriol, 19-Aldehyde C20H32O3 320.235144 NA MeJP NA NA +MJ033224 16,18-Kauranediol, 18-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033225 16,19-Atisanediol, 19-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033226 16,19-Kauranediol, 19-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033227 16-Hydroxy-3,13-clerodadien-15,16-olide, 13?,14-Dihydro C20H32O3 320.235144 NA MeJP NA NA +MJ033228 16-Kaurene-2,14,15-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033229 16-Kaurene-2,18,19-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033230 16-Kaurene-2,3,15-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033231 16-Kaurene-2,6,15-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033232 16-Kaurene-3,7,18-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033233 16-Kaurene-7,15,18-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033234 16-Oxo-3-cleroden-15-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033235 16-Oxo-8(17)-labden-15-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033236 17,19-Kauranediol, 17-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033237 17,19-Kauranediol, 19-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033238 17,19-Kauranediol, 17-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033239 18,19-Epoxy-1(9),6,13-xenicatrien-18-ol; 18?-form, (6R,7R)-Epoxide C20H32O3 320.235144 NA MeJP NA NA +MJ033240 18-Hydroxy-3-cleroden-15,16-olide C20H32O3 320.235144 NA MeJP NA NA +MJ033241 18-Hydroxy-7,13-labdadien-15-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033242 19-Hydroxy-12-prenyl-3-cedren-14-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033243 19-Hydroxy-3,13-clerodadien-15-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033244 19-Hydroxy-5,8,11,14-eicosatetraenoic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033245 2(4),14-Decipiadiene-1,18,19-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033246 2,13-Dihydroxy-8,14-labdadien-7-one C20H32O3 320.235144 NA MeJP NA NA +MJ033247 2,16-Epoxy-1(15),3,11-cembratriene-7,8-diol C20H32O3 320.235144 NA MeJP NA NA +MJ033248 2,6,10,14-Phytatetraene-1,12,19-triol, 12-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033249 2,6,10,14-Phytatetraene-1,12-diol, 1-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033250 2,6,10,14-Phytatetraene-1,18,19-triol, 19-Aldehyde C20H32O3 320.235144 NA MeJP NA NA +MJ033251 2,6,10,14-Phytatetraene-1,18,19-triol, 18-Aldehyde C20H32O3 320.235144 NA MeJP NA NA +MJ033252 2,6,10,14-Phytatetraene-1,18-diol, 18-Aldehyde C20H32O3 320.235144 NA MeJP NA NA +MJ033253 2,6,19-Trachylobanetriol C20H32O3 320.235144 NA MeJP NA NA +MJ033254 2,6-Humuladiene-1,4-diol, 1-(2-Methyl-2-butenoyl) C20H32O3 320.235144 NA MeJP NA NA +MJ033255 2,7,10-Cembratriene-4,6,12-triol, 6-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033256 2,7,11-Cembratriene-4,10-diol, 10-Ketone, 11?,12?-epoxide C20H32O3 320.235144 NA MeJP NA NA +MJ033257 2,7,11-Cembratriene-4,6,10-triol, 10-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033258 2,7,11-Cembratriene-4,6,10-triol, 6-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033259 2,7,12(20)-Cembratriene-4,6,11-triol, 11-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033260 2,9,13-Verrucosanetriol, 9-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033261 2-Hydroxy-3,13-clerodadien-15-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033262 2-Hydroxy-3-cleroden-15-oic acid, 2-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033263 2-Hydroxy-5-eremen-20-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033264 2-Hydroxy-6-tridecylbenzoic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033265 2-Hydroxy-8(17),13-labdadien-15-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033266 20-Hydroxy-3,13-clerodadien-15-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033267 20-Hydroxy-3,7,15-cembratrien-19-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033268 20-Hydroxy-5,8,11,14-eicosatetraenoic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033269 3,11-Dihydroxy-15-cembren-6-one, 3,11-Diketone C20H32O3 320.235144 NA MeJP NA NA +MJ033270 3,12-Cyathadiene-11,14,15-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033271 3,13-Clerodadiene-15,17-diol, 17-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033272 3,13-Clerodadiene-15,18-diol, 18-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033273 3,15-Dihydroxy-7,13-labdadien-2-one C20H32O3 320.235144 NA MeJP NA NA +MJ033274 3,15-Epoxy-18-hydroxy-7,11-cembradien-19-al C20H32O3 320.235144 NA MeJP NA NA +MJ033275 3,16,17-Atisanetriol, 3-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033276 3,16,17-Kauranetriol, 3-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033277 3,16,17-Phyllocladanetriol, 3-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033278 3,4-Epoxy-13(15),16-sphenolobadiene-5,18-diol C20H32O3 320.235144 NA MeJP NA NA +MJ033279 3,4-Epoxy-13,16-sphenolobadiene-15,18-diol C20H32O3 320.235144 NA MeJP NA NA +MJ033280 3,4-Seco-2-verrucosene-5,6,8-triol, 8-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033281 3,4:7,8-Diepoxy-12-dolabellen-18-ol C20H32O3 320.235144 NA MeJP NA NA +MJ033282 3,7-Cyclo-11,12-epoxy-1,4(18)-cembradiene-8,14-diol C20H32O3 320.235144 NA MeJP NA NA +MJ033283 3,7-Dolabelladiene-9,12-diol, 7S*,8S*-Epoxide, 9-ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033284 3,7-Dolabelladiene-9,12-diol, 3S*,4S*-Epoxide, 9-ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033285 3,7-Epoxy-1,10-bisaboladien-12-ol; 3-Methylbutanoyl C20H32O3 320.235144 NA MeJP NA NA +MJ033286 3,7-Epoxy-1,10-bisaboladien-12-ol; Pentanoyl C20H32O3 320.235144 NA MeJP NA NA +MJ033287 3-Hydroxy-14,15-dinor-7-labden-13-one, Ac C20H32O3 320.235144 NA MeJP NA NA +MJ033288 3-Hydroxy-5,8,11,14-eicosatetraenoic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033289 3-Oxo-4(19)-cleroden-15-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033290 3-Viscidene-5,16-diol; 5-Ketone, 16-carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033291 4(15),11-Eudesmadien-2-ol; 2?-form, 2-(3-Hydroxy-3-methylbutanoyl) C20H32O3 320.235144 NA MeJP NA NA +MJ033292 4(15)-Eudesmene-1,6-diol, 6-Angeloyl C20H32O3 320.235144 NA MeJP NA NA +MJ033293 4(18),13-Clerodadien-15-ol, 15-Carboxylic acid, 4?,18-epoxide C20H32O3 320.235144 NA MeJP NA NA +MJ033294 4(18),13-Clerodadien-15-ol, 15-Carboxylic acid, 4?,18-epoxide C20H32O3 320.235144 NA MeJP NA NA +MJ033295 4(18),13-Clerodadiene-3,15-diol, 15-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033296 4(3?2)-Abeo-13-hydroxy-2(4),14-clerodadien-3-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033297 4,12-Dihydroxy-2,6-dolabelladien-9-one C20H32O3 320.235144 NA MeJP NA NA +MJ033298 4,12-Dihydroxy-2,7-dolabelladien-9-one C20H32O3 320.235144 NA MeJP NA NA +MJ033299 4,15,16-Trihydroxy-4,5-seco-5-rosanone, 4-Deoxy, 4,18-didehydro, 15-ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033300 4,8(19),14-Xeniaphyllatrien-13-ol; 4,5:14,15-Diepoxide C20H32O3 320.235144 NA MeJP NA NA +MJ033301 5(10)-Halimene-3,15-diol, 3-Ketone, 15-carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033302 5,14-Dihydroxy-3-visciden-20-oic acid; 14-Deoxy,14,15-didehydro C20H32O3 320.235144 NA MeJP NA NA +MJ033303 5-Hydroxy-17-eremen-19-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033304 5-Hydroxy-3,14-viscidadien-16-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033305 5-Hydroxy-3,14-viscidadien-19-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033306 5-Hydroxy-6,8,11,14-eicosatetraenoic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033307 6,13-Dihydroxy-7,14-labdadien-17-al C20H32O3 320.235144 NA MeJP NA NA +MJ033308 6,13-Epoxy-4(18),8(19)-eunicelladiene-9,12-diol C20H32O3 320.235144 NA MeJP NA NA +MJ033309 6-Hydroxy-8(17),13-labdadien-15-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033310 7,13-Dihydroxy-3,14-clerodadien-2-one C20H32O3 320.235144 NA MeJP NA NA +MJ033311 7,13-Labdadiene-15,16-diol, 15-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033312 7,13-Labdadiene-15,17-diol, 17-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033313 7,13-Labdadiene-2,15-diol, 15-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033314 7,13-Labdadiene-2,3,15-triol, 15-Aldehyde C20H32O3 320.235144 NA MeJP NA NA +MJ033315 7,13-Labdadiene-3,15-diol, 15-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033316 7,13-Labdadiene-6,15-diol, 6-Ketone, 13S,14-dihydro, 15-carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033317 7,16,17-Kauranetriol, 7-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033318 7,20-Dihydroxy-15-kauranone C20H32O3 320.235144 NA MeJP NA NA +MJ033319 7,8-Dihydroxy-15-pimaren-3-one C20H32O3 320.235144 NA MeJP NA NA +MJ033320 7,8-Epoxy-3,11,15-cembratriene-2,18-diol C20H32O3 320.235144 NA MeJP NA NA +MJ033321 7-Hydroxy-16-spongianone; 7?-form C20H32O3 320.235144 NA MeJP NA NA +MJ033322 7-Hydroxy-8(17),13-clerodadien-15-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033323 7-Isopimarene-3,15,16-triol, 3-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033324 7-Isopimarene-3,15,16-triol, 15-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033325 7-Labdene-15,17-diol, 17-Carboxylic acid, 15-aldehyde C20H32O3 320.235144 NA MeJP NA NA +MJ033326 7-Labdene-3,15-diol, 15-Carboxylic acid, 3-ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033327 7-Oxo-3-cleroden-15-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033328 7-Pimarene-3,15,16-triol, 3-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033329 8(14),15-Isopimaradiene-1,6,9-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033330 8(14),15-Isopimaradiene-2,18,19-triol; 2?-form C20H32O3 320.235144 NA MeJP NA NA +MJ033331 8(14),15-Isopimaradiene-3,18,19-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033332 8(14),15-Pimaradiene-3,7,19-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033333 8(14)-Pimarene-2,15,16-triol, 2-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033334 8(14)-Pimarene-3,15,16-triol, 15-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033335 8(17),13-Labdadiene-15,18-diol, 15-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033336 8(17),13-Labdadiene-15,18-diol, 18-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033337 8(17),13-Labdadiene-15,19-diol, 15-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033338 8(17),13-Labdadiene-15,19-diol, 19-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033339 8(17),13-Labdadiene-15,19-diol, 15-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033340 8(17),13-Labdadiene-3,15,19-triol, 19-Aldehyde C20H32O3 320.235144 NA MeJP NA NA +MJ033341 8(17),13-Labdadiene-3,15-diol, 15-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033342 8(17),13-Labdadiene-7,15-diol, 15-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033343 8(17),14-Labdadiene-13,19-diol, 19-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033344 8(17)-Labdene-15,18-diol, 18-Carboxylic acid, 15-aldehyde C20H32O3 320.235144 NA MeJP NA NA +MJ033345 8(17)-Labdene-15,19-diol, 15-Carboxylic acid, 19-aldehyde C20H32O3 320.235144 NA MeJP NA NA +MJ033346 8(17)-Labdene-15,19-diol, 19-Carboxylic acid, 15-aldehyde C20H32O3 320.235144 NA MeJP NA NA +MJ033347 8,11-Epoxy-4-hydroxy-2,12-cembradien-6-one C20H32O3 320.235144 NA MeJP NA NA +MJ033348 8,12-Dihydroxy-15-isopimaren-11-one C20H32O3 320.235144 NA MeJP NA NA +MJ033349 8,12-Epoxy-13-labden-1-ol, 11?-Hydroxy, 1-ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033350 8,12-Epoxy-13-labden-15-ol, 15-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033351 8,12-Epoxy-13-labdene-15,16-diol, 16-Aldehyde C20H32O3 320.235144 NA MeJP NA NA +MJ033352 8,13-Dihydroxy-5,14-labdadien-7-one C20H32O3 320.235144 NA MeJP NA NA +MJ033353 8,13-Dihydroxy-5-neoverrucosanone C20H32O3 320.235144 NA MeJP NA NA +MJ033354 8,13-Epoxy-11-hydroxy-14-labden-3-one C20H32O3 320.235144 NA MeJP NA NA +MJ033355 8,13-Epoxy-14-labden-18-ol, 18-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033356 8,13-Epoxy-14-labden-18-ol, Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033357 8,13-Epoxy-14-labden-19-ol, 19-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033358 8,13-Epoxy-16-hydroxy-14-labden-19-al C20H32O3 320.235144 NA MeJP NA NA +MJ033359 8,13-Epoxy-16-hydroxy-14-labden-3-one C20H32O3 320.235144 NA MeJP NA NA +MJ033360 8,13-Epoxy-19-hydroxy-14-labden-2-one C20H32O3 320.235144 NA MeJP NA NA +MJ033361 8,13-Epoxy-3-hydroxy-14-labden-2-one C20H32O3 320.235144 NA MeJP NA NA +MJ033362 8,13-Epoxy-6-hydroxy-14-labden-11-one C20H32O3 320.235144 NA MeJP NA NA +MJ033363 8,13-Epoxy-9-hydroxy-14-labden-11-one C20H32O3 320.235144 NA MeJP NA NA +MJ033364 8,13-Labdadiene-15,19-diol, 15-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033365 8,13-Labdadiene-15,19-diol, 19-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033366 8,13:14,15-Diepoxy-3-labdanol, 3-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033367 8,15-Isopimaradiene-3,7,19-triol C20H32O3 320.235144 NA MeJP NA NA +MJ033368 8,19-Dihydroxy-15-pimaren-3-one C20H32O3 320.235144 NA MeJP NA NA +MJ033369 8,9-Epoxy-5,11,14-eicosatrienoic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033370 8-Abietene-14,18-diol; 14?-form, 18-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033371 8-Daucene-4,6-diol, 6-Angeloyl C20H32O3 320.235144 NA MeJP NA NA +MJ033372 8-Daucene-5,10-diol, 10-Angeloyl C20H32O3 320.235144 NA MeJP NA NA +MJ033373 8-Hydroxy-12,14-labdadien-19-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033374 8-Hydroxy-17-sacculatene-11,13-dial C20H32O3 320.235144 NA MeJP NA NA +MJ033375 8-Hydroxy-5,9,11,14-eicosatetraenoic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033376 8-Oxo-7,8-seco-12,14-labdadien-7-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033377 9,10-Seco-8,10(20),13-labdatriene-3,11,15-triol; 3-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033378 9,11:12,13-Diepoxy-3-abietanol C20H32O3 320.235144 NA MeJP NA NA +MJ033379 9,13-Dihydroxy-7,14-labdadien-6-one C20H32O3 320.235144 NA MeJP NA NA +MJ033380 9,13-Epoxy-14-labden-19-ol, 19-Carboxylic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033381 9,13-Epoxy-14-labdene-6,19-diol, 6-Ketone C20H32O3 320.235144 NA MeJP NA NA +MJ033382 9,13-Epoxy-18-hydroxy-14-labden-7-one C20H32O3 320.235144 NA MeJP NA NA +MJ033383 9,13-Epoxy-6,14-labdadiene-5,8-diol C20H32O3 320.235144 NA MeJP NA NA +MJ033384 9,13-Epoxy-7-labden-15-oic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033385 9-Hydroxy-5,7,11,14-eicosatetraenoic acid C20H32O3 320.235144 NA MeJP NA NA +MJ033386 Androst-5-ene-3,16,17-triol, 3-Me ether C20H32O3 320.235144 NA MeJP NA NA +MJ033387 Aplykurodin A; 17,18-Didehydro C20H32O3 320.235144 NA MeJP NA NA +MJ033388 Crispanone; Deoxo C20H32O3 320.235144 NA MeJP NA NA +MJ033389 Crotonitenone C20H32O3 320.235144 NA MeJP NA NA +MJ033390 Dictyol H; O-De-Ac C20H32O3 320.235144 NA MeJP NA NA +MJ033391 Dictyotriol A C20H32O3 320.235144 NA MeJP NA NA +MJ033392 Dictyotriol C C20H32O3 320.235144 NA MeJP NA NA +MJ033393 Dictyotriol E C20H32O3 320.235144 NA MeJP NA NA +MJ033394 Dictyoxetane C20H32O3 320.235144 NA MeJP NA NA +MJ033395 Haploparvone C20H32O3 320.235144 NA MeJP NA NA +MJ033396 Indicol C20H32O3 320.235144 NA MeJP NA NA +MJ033397 Leucoxol C20H32O3 320.235144 NA MeJP NA NA +MJ033398 Mutilin C20H32O3 320.235144 NA MeJP NA NA +MJ033399 Norpectinatone C20H32O3 320.235144 NA MeJP NA NA +MJ033400 Pachydictyol A; 8?,11?-Dihydroxy C20H32O3 320.235144 NA MeJP NA NA +MJ033401 Pilosanone A C20H32O3 320.235144 NA MeJP NA NA +MJ033402 Vibsanin F; ?15-Isomer, 14?-hydroxy C20H32O3 320.235144 NA MeJP NA NA +MJ033403 Vittadinal C20H32O3 320.235144 NA MeJP NA NA +EUR109 8(9)-EET C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR110 11(12)-EET C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR111 14(15)-EET C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR137 5-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR138 8-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR139 9-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR140 11-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR141 12-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR142 15-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR143 19-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR144 20-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR109 8(9)-EET C20H32O3 320.235145 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR110 11(12)-EET C20H32O3 320.235145 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR111 14(15)-EET C20H32O3 320.235145 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR137 5-HETE C20H32O3 320.235145 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR138 8-HETE C20H32O3 320.235145 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR139 9-HETE C20H32O3 320.235145 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR140 11-HETE C20H32O3 320.235145 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR141 12-HETE C20H32O3 320.235145 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR142 15-HETE C20H32O3 320.235145 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR143 19-HETE C20H32O3 320.235145 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR144 20-HETE C20H32O3 320.235145 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR109 8(9)-EET C20H32O3 320.235145 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR110 11(12)-EET C20H32O3 320.235145 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR111 14(15)-EET C20H32O3 320.235145 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR137 5-HETE C20H32O3 320.235145 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR138 8-HETE C20H32O3 320.235145 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR139 9-HETE C20H32O3 320.235145 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR140 11-HETE C20H32O3 320.235145 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR141 12-HETE C20H32O3 320.235145 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR142 15-HETE C20H32O3 320.235145 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR143 19-HETE C20H32O3 320.235145 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR144 20-HETE C20H32O3 320.235145 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR109 8(9)-EET C20H32O3 320.235145 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR110 11(12)-EET C20H32O3 320.235145 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR111 14(15)-EET C20H32O3 320.235145 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR137 5-HETE C20H32O3 320.235145 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR138 8-HETE C20H32O3 320.235145 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR139 9-HETE C20H32O3 320.235145 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR140 11-HETE C20H32O3 320.235145 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR141 12-HETE C20H32O3 320.235145 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR142 15-HETE C20H32O3 320.235145 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR143 19-HETE C20H32O3 320.235145 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR144 20-HETE C20H32O3 320.235145 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR109 8(9)-EET C20H32O3 320.235145 Wishlist HMDB NA NA +EUR110 11(12)-EET C20H32O3 320.235145 Wishlist HMDB NA NA +EUR111 14(15)-EET C20H32O3 320.235145 Wishlist HMDB NA NA +EUR137 5-HETE C20H32O3 320.235145 Wishlist HMDB NA NA +EUR138 8-HETE C20H32O3 320.235145 Wishlist HMDB NA NA +EUR139 9-HETE C20H32O3 320.235145 Wishlist HMDB NA NA +EUR140 11-HETE C20H32O3 320.235145 Wishlist HMDB NA NA +EUR141 12-HETE C20H32O3 320.235145 Wishlist HMDB NA NA +EUR142 15-HETE C20H32O3 320.235145 Wishlist HMDB NA NA +EUR143 19-HETE C20H32O3 320.235145 Wishlist HMDB NA NA +EUR144 20-HETE C20H32O3 320.235145 Wishlist HMDB NA NA +EUR109 8(9)-EET C20H32O3 320.235145 Wishlist Inhouse_PFEM NA NA +EUR110 11(12)-EET C20H32O3 320.235145 Wishlist Inhouse_PFEM NA NA +EUR111 14(15)-EET C20H32O3 320.235145 Wishlist Inhouse_PFEM NA NA +EUR137 5-HETE C20H32O3 320.235145 Wishlist Inhouse_PFEM NA NA +EUR138 8-HETE C20H32O3 320.235145 Wishlist Inhouse_PFEM NA NA +EUR139 9-HETE C20H32O3 320.235145 Wishlist Inhouse_PFEM NA NA +EUR140 11-HETE C20H32O3 320.235145 Wishlist Inhouse_PFEM NA NA +EUR141 12-HETE C20H32O3 320.235145 Wishlist Inhouse_PFEM NA NA +EUR142 15-HETE C20H32O3 320.235145 Wishlist Inhouse_PFEM NA NA +EUR143 19-HETE C20H32O3 320.235145 Wishlist Inhouse_PFEM NA NA +EUR144 20-HETE C20H32O3 320.235145 Wishlist Inhouse_PFEM NA NA +MetaCyc02833 (15S)-15-hydroxy-5,8,11-cis-13-trans-icosatetraenoate [(15S)-15-hydroxy-5,8,11-cis-13-trans-eicosatetraenoate;] C20H32O3 320.235145 NA metacyc NA NA +EUR109 8(9)-EET C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR110 11(12)-EET C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR111 14(15)-EET C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR137 5-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR138 8-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR139 9-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR140 11-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR141 12-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR142 15-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR143 19-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR144 20-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR109 8(9)-EET C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR110 11(12)-EET C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR111 14(15)-EET C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR137 5-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR138 8-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR139 9-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR140 11-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR141 12-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR142 15-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR143 19-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR144 20-HETE C20H32O3 320.235145 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR494 8(9)-EET F1 NA 320.235325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR494 8(9)-EET F1 NA 320.235325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR494 8(9)-EET F1 NA 320.235325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR494 8(9)-EET F1 NA 320.235325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR494 8(9)-EET F1 NA 320.235325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR494 8(9)-EET F1 NA 320.235325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR494 8(9)-EET F1 NA 320.235325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR494 8(9)-EET F1 NA 320.235325 standards wishlist analysés sur QTOF HMDB NA NA +EUR494 8(9)-EET F1 NA 320.235325 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR494 8(9)-EET F1 NA 320.235325 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR494 8(9)-EET F1 NA 320.235325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR494 8(9)-EET F1 NA 320.235325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR490 19-HETE F1 NA 320.236225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR490 19-HETE F1 NA 320.236225 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR490 19-HETE F1 NA 320.236225 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR490 19-HETE F1 NA 320.236225 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR490 19-HETE F1 NA 320.236225 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR490 19-HETE F1 NA 320.236225 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR490 19-HETE F1 NA 320.236225 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR490 19-HETE F1 NA 320.236225 standards wishlist analysés sur QTOF HMDB NA NA +EUR490 19-HETE F1 NA 320.236225 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR490 19-HETE F1 NA 320.236225 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR490 19-HETE F1 NA 320.236225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR490 19-HETE F1 NA 320.236225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR489 5,6-DHET F2 F2 320.238025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR489 5,6-DHET F2 NA 320.238025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR489 5,6-DHET F2 F2 320.238025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR489 5,6-DHET F2 NA 320.238025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR489 5,6-DHET F2 F2 320.238025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR489 5,6-DHET F2 NA 320.238025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR489 5,6-DHET F2 F2 320.238025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR489 5,6-DHET F2 F2 320.238025 standards wishlist analysés sur QTOF HMDB NA NA +EUR489 5,6-DHET F2 F2 320.238025 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR489 5,6-DHET F2 NA 320.238025 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR489 5,6-DHET F2 F2 320.238025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR489 5,6-DHET F2 F2 320.238025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ033404 4-Nitrobenzenebutanamine; N-Et, N-heptyl C19H32N2O2 320.246378 NA MeJP NA NA +MJ033405 ?-[[2-(Diethylamino)ethyl]amino]benzeneacetic acid, 3-Methylbutyl ester C19H32N2O2 320.246378 NA MeJP NA NA +C14981 3beta-Fluoro-5beta-pregnan-20-one C21H33FO 320.2515 NA KEGG NA NA +MJ033406 N-(2-Diisopropylaminoethyl)-N-(4,6-dimethyl-2-pyridinyl)-N',N'-dimethylurea C18H32N4O 320.257611 NA MeJP NA NA +C05484 Pregnanediol C21H36O2 320.2715 NA KEGG NA NA +C10809 5-Pentadecylresorcinol C21H36O2 320.2715 NA KEGG NA NA +C14878 6alpha,17-Dimethyl-5alpha-androstane-3beta,17beta-diol C21H36O2 320.2715 NA KEGG NA NA +C14982 6beta,17-Dimethyl-5alpha-androstane-3beta,17beta-diol C21H36O2 320.2715 NA KEGG NA NA +C15047 11,17-Dimethyl-5alpha-androstane-11beta,17beta-diol C21H36O2 320.2715 NA KEGG NA NA +C15198 3-Ethyl-5alpha-androstane-3alpha,17beta-diol C21H36O2 320.2715 NA KEGG NA NA +C18042 5alpha-Pregnane-3alpha,20alpha-diol C21H36O2 320.2715 NA KEGG NA NA +HMDB02156 3a,20b-Pregnanediol C21H36O2 320.27151 http://www.hmdb.ca/metabolites/HMDB02156 HMDB NA NA +HMDB04025 Pregnanediol C21H36O2 320.27151 http://www.hmdb.ca/metabolites/HMDB04025 HMDB NA NA +HMDB05943 5beta-Pregnanediol C21H36O2 320.27151 http://www.hmdb.ca/metabolites/HMDB05943 HMDB NA NA +HMDB06013 7a,17-dimethyl-5b-Androstane-3a,17b-diol C21H36O2 320.27151 http://www.hmdb.ca/metabolites/HMDB06013 HMDB NA NA +HMDB02156 3a,20b-Pregnanediol C21H36O2 320.27151 HMDB02156 PFEM_hmdb_metabocards_official NA NA +HMDB04025 Pregnanediol C21H36O2 320.27151 HMDB04025 PFEM_hmdb_metabocards_official NA NA +HMDB05943 5beta-Pregnanediol C21H36O2 320.27151 HMDB05943 PFEM_hmdb_metabocards_official NA NA +HMDB06013 7a,17-dimethyl-5b-Androstane-3a,17b-diol C21H36O2 320.27151 HMDB06013 PFEM_hmdb_metabocards_official NA NA +HMDB02156 3a,20b-Pregnanediol C21H36O2 320.271515 NA HMDB2010 NA NA +HMDB04025 Pregnanediol C21H36O2 320.271515 NA HMDB2010 NA NA +HMDB06013 7a,17-dimethyl-5b-Androstane-3a,17b-diol C21H36O2 320.271515 NA HMDB2010 NA NA +MJ033407 1-Hydroxy-2,5,12,15-heneicosatetraen-4-one, 5,6-Dihydro C21H36O2 320.27153 NA MeJP NA NA +MJ033408 1-Hydroxy-2,5,12-heneicosatrien-4-one C21H36O2 320.27153 NA MeJP NA NA +MJ033409 1-Hydroxy-2,5,14-heneicosatrien-4-one C21H36O2 320.27153 NA MeJP NA NA +MJ033410 1-Hydroxy-2,5,16-heneicosatrien-4-one C21H36O2 320.27153 NA MeJP NA NA +MJ033411 16,17-Kauranediol, 16-Me ether C21H36O2 320.27153 NA MeJP NA NA +MJ033412 17-Cneorubene-4,10-diol, 10-Me ether C21H36O2 320.27153 NA MeJP NA NA +MJ033413 2,6,10-Farnesatrien-1-ol, Hexanoyl C21H36O2 320.27153 NA MeJP NA NA +MJ033414 2,7,11-Cembratriene-4,10-diol, 4-Me ether C21H36O2 320.27153 NA MeJP NA NA +MJ033415 3-Pentadecyl-1,2-benzenediol C21H36O2 320.27153 NA MeJP NA NA +MJ033416 4-Pentadecyl-1,2-benzenediol C21H36O2 320.27153 NA MeJP NA NA +MJ033417 5-(13-Methyltetradecyl)-1,3-benzenediol C21H36O2 320.27153 NA MeJP NA NA +MJ033418 5-Pentadecyl-1,3-benzenediol C21H36O2 320.27153 NA MeJP NA NA +MJ033419 5-Tridecyl-1,3-benzenediol; Di-Me ether C21H36O2 320.27153 NA MeJP NA NA +MJ033420 6-Hydroxy-2,14,16,18-heneicosatetraen-4-one, 2,3-Dihydro C21H36O2 320.27153 NA MeJP NA NA +MJ033421 7,11,15-Cembratriene-3,4-diol, 3-Me ether C21H36O2 320.27153 NA MeJP NA NA +MJ033422 Probetaenone I C21H36O2 320.27153 NA MeJP NA NA +MJ033423 Uranediol C21H36O2 320.27153 NA MeJP NA NA +MJ033424 Pregnanediol C21H36O2 320.27153 NA MeJP NA NA +MetaCyc02834 pregnanediol [5β-Pregnane-3α,20α-diol;] C21H36O2 320.27153 80-92-2 metacyc NA NA +MJ033425 Cribochaline B C20H36N2O 320.282763 NA MeJP NA NA +MJ033426 3,6,9-Docosatriene, 9S,10R-Epoxide C22H40O 320.307915 NA MeJP NA NA +MJ033427 Clathculine A, 16,17-Dihydro C21H40N2 320.319149 NA MeJP NA NA +MJ033428 1,14-Tricosadiene C23H44 320.344301 NA MeJP NA NA +3400 NA WKVIP 320.6885 MH2+ Inhouse_peptide NA peptide +C14520 Chlorpyrifos-methyl C7H7Cl3NO3PS 320.895 NA KEGG NA NA +MJ033429 Convolutamine A; 4-Debromo, N-de(2-hydroxypropyl) C10H13Br2NO 320.936389 NA MeJP NA NA +C14128 CGH 2466 C14H9Cl2N3S 320.9894 NA KEGG NA NA +MJ033430 Varacin A; 5-(Methylthio) C11H15NO2S4 320.998561 NA MeJP NA NA +MJ033431 Lopirazepam C14H9Cl2N3O2 321.007181 NA MeJP NA NA +MJ033432 Salazosulfamide C13H11N3O5S 321.041941 NA MeJP NA NA +HMDB05011 Clopidogrel C16H16ClNO2S 321.05902 http://www.hmdb.ca/metabolites/HMDB05011 HMDB NA NA +HMDB05011 Clopidogrel C16H16ClNO2S 321.05902 HMDB05011 PFEM_hmdb_metabocards_official NA NA +HMDB05011 Clopidogrel C16H16ClNO2S 321.059021 NA HMDB2010 NA NA +MJ033433 Clopidogrel C16H16ClNO2S 321.059027 NA MeJP NA NA +MJ033434 Cepharadione A; N-De-Me, N-methoxy C18H11NO5 321.063722 NA MeJP NA NA +MJ033435 Dicentrinone; O9-De-Me C18H11NO5 321.063722 NA MeJP NA NA +MJ033436 Mollisine; 8-O-De-Me C18H11NO5 321.063722 NA MeJP NA NA +MJ033437 Oxocompostelline C18H11NO5 321.063722 NA MeJP NA NA +MJ033438 Oxohernangerine C18H11NO5 321.063722 NA MeJP NA NA +MJ033439 Oxoisocalycinine C18H11NO5 321.063722 NA MeJP NA NA +MJ033440 Stealthin A; 12-Aldehyde C18H11NO5 321.063722 NA MeJP NA NA +MJ033441 Diclofensine C17H17Cl2NO 321.068719 NA MeJP NA NA +MJ033442 Fengabine C17H17Cl2NO 321.068719 NA MeJP NA NA +HMDB13220 beta-Citryl-L-glutamic acid C11H15NO10 321.069611 NA HMDB2010 NA NA +EUR331 8-hydroxyguanosine F3 F3 321.071075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR331 8-hydroxyguanosine F3 NA 321.071075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR331 8-hydroxyguanosine F3 F3 321.071075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR331 8-hydroxyguanosine F3 NA 321.071075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR331 8-hydroxyguanosine F3 F3 321.071075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR331 8-hydroxyguanosine F3 NA 321.071075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR331 8-hydroxyguanosine F3 F3 321.071075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR331 8-hydroxyguanosine F3 F3 321.071075 standards wishlist analysés sur QTOF HMDB NA NA +EUR331 8-hydroxyguanosine F3 F3 321.071075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR331 8-hydroxyguanosine F3 NA 321.071075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR331 8-hydroxyguanosine F3 F3 321.071075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR331 8-hydroxyguanosine F3 F3 321.071075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MetaCyc02835 deoxy-5-methylcytidylate [5-Methyldeoxycytidine 5'-phosphate;] C10H16N3O7P1 321.072586 NA metacyc NA NA +C03495 Deoxy-5-methylcytidylate C10H16N3O7P 321.0726 NA KEGG NA NA +C03497 Ester of phosphinic acid PH2O2R 321.0726 NA KEGG NA NA +C03498 Ester of phosphonic acid PH2O3R 321.0726 NA KEGG NA NA +MJ033443 Quindonium(1+); Bromide C16H20BrNO 321.072826 NA MeJP NA NA +CJneg0521 N4-acetylcytidine [(M+Cl)]- C11H15ClN3O6 321.073325 C18rt(min)=4.51 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0521 N4-acetylcytidine [(M+Cl)]- C11H15ClN3O6 321.073325 C18rt(min)=4.51 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +PJ000297 PCC C11H19N3O4S2 321.0817 NA PeJP NA NA +MJ033444 Salfredin C1; 5-Deoxo, N-(carboxymethyl) C15H15NO7 321.084851 NA MeJP NA NA +MJ033445 3-Methoxy-2-methyl-1-phenyl-9H-carbazole; 6-Chloro C20H16ClNO 321.092041 NA MeJP NA NA +MetaCyc02836 2-amino-4-oxo-4-α-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6, 7,8-tetrahydroxypterin [] C9H15N5O8 321.092062 NA metacyc NA NA +HMDB12143 2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin C9H15N5O8 321.092072 NA HMDB2010 NA NA +C05252 2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-Tri- C9H15N5O8 321.0921 NA KEGG NA NA +MJ033446 Homoglutathione; L-L-form C11H19N3O6S 321.099456 NA MeJP NA NA +MetaCyc02837 γ-L-Glutamyl-L-cysteinyl-β-alanine [] C11H19N3O6S1 321.099456 NA metacyc NA NA +C04544 gamma-L-Glutamyl-L-cysteinyl-beta-alanine C11H19N3O6S 321.0995 NA KEGG NA NA +C04545 tRNA containing 2'-O-methylguanosine C11H16N5O8P 321.0995 NA KEGG NA NA +C11347 S-Methyl GSH C11H19N3O6S 321.0995 NA KEGG NA NA +PJ000298 GDM C11H19N3O6S 321.0995 NA PeJP NA NA +MJ033447 3-Methyl-6,7-methylenedioxy-1-piperonylisoquinoline C19H15NO4 321.100107 NA MeJP NA NA +MJ033448 Alkaloid PO3 C19H15NO4 321.100107 NA MeJP NA NA +MJ033449 Cepharadione B C19H15NO4 321.100107 NA MeJP NA NA +MJ033450 Dihydrocoptisine C19H15NO4 321.100107 NA MeJP NA NA +MJ033451 Griffithdione C19H15NO4 321.100107 NA MeJP NA NA +MJ033452 Guattescidine; 4,5-Didehydro, O9-Me C19H15NO4 321.100107 NA MeJP NA NA +MJ033453 Menisporphine C19H15NO4 321.100107 NA MeJP NA NA +MJ033454 Moschatoline; Me ether C19H15NO4 321.100107 NA MeJP NA NA +MJ033455 Neolitsine, 6a,7-Didehydro C19H15NO4 321.100107 NA MeJP NA NA +MJ033456 Pancoridine C19H15NO4 321.100107 NA MeJP NA NA +MJ033457 Splendidine C19H15NO4 321.100107 NA MeJP NA NA +MJ033458 Teliglazine C19H15NO4 321.100107 NA MeJP NA NA +MJ033459 Berberrubine C19H16NO4(+) 321.100108 NA MeJP NA NA +MJ033460 Dehydropseudocheilanthifoline C19H16NO4(+) 321.100108 NA MeJP NA NA +MJ033461 Groenlandicine C19H16NO4(+) 321.100108 NA MeJP NA NA +MJ033462 Mollinedine; N-Me C19H16NO4(+) 321.100108 NA MeJP NA NA +MJ033463 Thalifaurine C19H16NO4(+) 321.100108 NA MeJP NA NA +MJ033464 Thalifendine C19H16NO4(+) 321.100108 NA MeJP NA NA +MJ033465 9-Chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione C16H20ClN3S 321.106646 NA MeJP NA NA +MJ033466 Tivirapine C16H20ClN3S 321.106646 NA MeJP NA NA +HMDB06832 S-Glutaryldihydrolipoamide C13H23NO4S2 321.10684 http://www.hmdb.ca/metabolites/HMDB06832 HMDB NA NA +HMDB06832 S-Glutaryldihydrolipoamide C13H23NO4S2 321.10684 HMDB06832 PFEM_hmdb_metabocards_official NA NA +HMDB06832 S-Glutaryldihydrolipoamide C13H23NO4S2 321.106842 NA HMDB2010 NA NA +PJ000299 SSE C11H19N3O8 321.1172 NA PeJP NA NA +MJ033467 4-Hydroxyphenylacetic acid; Nitrile, O-(3-O-acetyl-?-L-rhamnopyranoside) C16H19NO6 321.121237 NA MeJP NA NA +MJ033468 Evomeliaefolin C16H19NO6 321.121237 NA MeJP NA NA +MJ033469 Orixine, O2-De-Me C16H19NO6 321.121237 NA MeJP NA NA +MJ033470 Carboquone C15H19N3O5 321.13247 NA MeJP NA NA +MJ033471 Glutamylglycyl-4-hydroxystyrylamine C15H19N3O5 321.13247 NA MeJP NA NA +PJ000300 ATM C12H23N3O5S 321.1359 NA PeJP NA NA +MJ033472 2-[4-(3,4-Methylenedioxyphenyl)butyl]-4-(1H)-quinolinone C20H19NO3 321.136493 NA MeJP NA NA +MJ033473 Acronycine C20H19NO3 321.136493 NA MeJP NA NA +MJ033474 Girinimbine; 4'-Acetoxy C20H19NO3 321.136493 NA MeJP NA NA +MJ033475 Guadiscidine; Me ether C20H19NO3 321.136493 NA MeJP NA NA +MJ033476 Oxazidione C20H19NO3 321.136493 NA MeJP NA NA +C10632 Acronycine C20H19NO3 321.1365 NA KEGG NA NA +MJ033477 Salbostatin C13H23NO8 321.142366 NA MeJP NA NA +MJ033478 Famciclovir C14H19N5O4 321.143704 NA MeJP NA NA +MJ033479 Aniflorine; Demethoxy C19H19N3O2 321.147726 NA MeJP NA NA +MJ033480 Nauclederine C19H19N3O2 321.147726 NA MeJP NA NA +MJ033481 Neoechinulin A; 3e,3h-Didehydro C19H19N3O2 321.147726 NA MeJP NA NA +MJ033482 Sessiflorine C19H19N3O2 321.147726 NA MeJP NA NA +MJ033483 Clocanfamide C18H24ClNO2 321.149556 NA MeJP NA NA +CJneg0522 Octanoylglucuronide [(M-H)]- (13C) C1313CH23O8 321.151025 C18rt(min)=8.06 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0522 Octanoylglucuronide [(M-H)]- (13C) C1313CH23O8 321.151025 C18rt(min)=8.06 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +C17583 6'-Dehydro-6'-oxoparomamine C12H23N3O7 321.1536 NA KEGG NA NA +PJ000301 TTT C12H23N3O7 321.1536 NA PeJP NA NA +MJ033484 1-Hydroxymethylpyrrolizidine, O-(4-Hydroxy-3,5-dimethoxybenzoyl) C17H23NO5 321.157622 NA MeJP NA NA +MJ033485 6-Hydroxyhyoscyamine, N-Oxide C17H23NO5 321.157622 NA MeJP NA NA +MJ033486 8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-(2-Hydroxy-3-phenylpropanoyl)(R-) C17H23NO5 321.157622 NA MeJP NA NA +MJ033487 Convolvine; 5'-Methoxy C17H23NO5 321.157622 NA MeJP NA NA +MJ033488 Convolvine; N-Me, N-oxide C17H23NO5 321.157622 NA MeJP NA NA +MJ033489 Lunacridine, 3'-Hydroxy C17H23NO5 321.157622 NA MeJP NA NA +MJ033490 Nilgirine C17H23NO5 321.157622 NA MeJP NA NA +MJ033491 Clamoxyquine C17H24ClN3O 321.16079 NA MeJP NA NA +3795 NA WWPR~ 321.1635 MH2+ Inhouse_peptide NA peptide +MJ033492 Gabexate C16H23N3O4 321.168856 NA MeJP NA NA +PJ000302 GVF C16H23N3O4 321.1689 NA PeJP NA NA +3489 ACE inhibitor from sake lees RF 321.169 ACE inhibitor Inhouse_peptide NA peptide +7592 ACE inhibitor FR 321.169 antioxidative Inhouse_peptide NA peptide +MJ033493 Flavamine C21H23NO2 321.172878 NA MeJP NA NA +MJ033494 Lobelanidine, Diketone, N-de-Me C21H23NO2 321.172878 NA MeJP NA NA +MJ033495 Impromidine C14H23N7S 321.173564 NA MeJP NA NA +MJ033496 Sopromidine C14H23N7S 321.173564 NA MeJP NA NA +MJ033497 Tazofelone C18H27NO2S 321.176249 NA MeJP NA NA +PJ000303 FR C15H23N5O3 321.1801 NA PeJP NA NA +MJ033498 Cycloprodigiosin C20H23N3O 321.184112 NA MeJP NA NA +MJ033499 Garamine C13H27N3O6 321.189985 NA MeJP NA NA +3615 NA RNVRV 321.19045 MH2+ Inhouse_peptide NA peptide +MJ033500 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3,6-Di-O-tigloyl C18H27NO4 321.194008 NA MeJP NA NA +MJ033501 Coronafacic acid, L-Alloisoleucine amide C18H27NO4 321.194008 NA MeJP NA NA +MJ033502 Coronafacic acid, L-Isoleucine amide C18H27NO4 321.194008 NA MeJP NA NA +MJ033503 Etoxeridine C18H27NO4 321.194008 NA MeJP NA NA +MJ033504 Stemospironine; Demethoxy C18H27NO4 321.194008 NA MeJP NA NA +MJ033505 4-Coumaroylspermidine; 3'-Methoxy C17H27N3O3 321.205241 NA MeJP NA NA +MJ033506 Etybenzatropine C22H27NO 321.209264 NA MeJP NA NA +MJ033507 Phenazocine C22H27NO 321.209264 NA MeJP NA NA +MJ033508 Sequifenadine C22H27NO 321.209264 NA MeJP NA NA +C11790 Phenazocine C22H27NO 321.2093 NA KEGG NA NA +MJ033509 Rimcazole C21H27N3 321.220497 NA MeJP NA NA +MJ033510 2-Amino-5-hydroxybenzoic acid; 10-Methylundecyl ester C19H31NO3 321.230393 NA MeJP NA NA +MJ033511 3,4-Dihydroxybenzylamine; 3-Me ether, N-(9-methyldecanoyl) C19H31NO3 321.230393 NA MeJP NA NA +MJ033512 Antidesmone; 8-Alcohol C19H31NO3 321.230393 NA MeJP NA NA +MJ033513 Melochinine; Ketone C19H31NO3 321.230393 NA MeJP NA NA +MJ033514 Viriditin; 8-Me ether C19H31NO3 321.230393 NA MeJP NA NA +MJ033515 3-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1H-indole C23H31N 321.245649 NA MeJP NA NA +MJ033516 Cylindricine C; Me ether C20H35NO2 321.266779 NA MeJP NA NA +MJ033517 Dihexyverine C20H35NO2 321.266779 NA MeJP NA NA +MJ033518 Dopropidil C20H35NO2 321.266779 NA MeJP NA NA +MJ033519 Homopumiliotoxin 321B C20H35NO2 321.266779 NA MeJP NA NA +MJ033520 Pumiliotoxin A, 6'-Me ether C20H35NO2 321.266779 NA MeJP NA NA +HMDB13624 Alpha-Linolenoyl ethanolamide C20H35NO2 321.266785 NA HMDB2010 NA NA +MJ033521 Dicyclidol C21H39NO 321.303164 NA MeJP NA NA +3703 NA VTDFY 321.63645 MH2+ Inhouse_peptide NA peptide +2885 nocistatin KQKLQ 321.694 MH2+ Inhouse_peptide NA peptide +MJ033522 2,2,2-Trichloroethyl carbonate C5H4Cl6O3 321.82916 NA MeJP NA NA +C11322 4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole C8HCl4F3N2 321.8846 NA KEGG NA NA +C14194 3,3',5,5'-Tetrachloro-4,4'-biphenyldiol C12H6Cl4O2 321.9122 NA KEGG NA NA +C14196 2,3,5,6-Tetrachloro-4,4'-biphenyldiol C12H6Cl4O2 321.9122 NA KEGG NA NA +MJ033523 Minodronic acid C9H12N2O7P2 322.011973 NA MeJP NA NA +MetaCyc02838 minodronate [YM 529;(1-Hydroxy-2-(imidazo(1,2-a)-pyridin-3-yl)ethylidene)bisphosphonic acid monohydrate;] C9H12N2O7P2 322.011974 NA metacyc NA NA +C00918 Chloramphenicol C11H12Cl2N2O5 322.0123 NA KEGG NA NA +MJ033524 Acrodontiolamide C11H12Cl2N2O5 322.012326 NA MeJP NA NA +MJ033525 Chloramphenicol C11H12Cl2N2O5 322.012326 NA MeJP NA NA +MetaCyc02839 chloramphenicol [] C11H12N2O5CL2 322.012327 NA metacyc NA NA +MJ033526 Clofenoxyde C16H12Cl2O3 322.016349 NA MeJP NA NA +MJ033527 Trifosfamide C9H18Cl3N2O2P 322.017147 NA MeJP NA NA +HMDB02708 Cyanidin C15H11ClO6 322.024414 NA HMDB2010 NA NA +MJ033528 3,4',5,6,7-Pentahydroxyflavylium(1+); Chloride C15H11ClO6 322.024415 NA MeJP NA NA +MJ033529 1,1,1-Trichloro-4-hydroxy-11-methyl-3,5,7,9-tridecatetraen-2-one C14H17Cl3O2 322.029412 NA MeJP NA NA +MJ033530 Digallic acid C14H10O9 322.032481 NA MeJP NA NA +MetaCyc02840 digallate [Digallic acid;] C14H10O9 322.032482 536-08-3 metacyc NA NA +C01572 Digallate C14H10O9 322.0325 NA KEGG NA NA +C01573 Peptide diphthine C14H21N5O4R2 322.0325 NA KEGG NA NA +C01574 Dynorphin C14H21N5O4R2 322.0325 NA KEGG NA NA +MJ033531 Bicoumol C18H10O6 322.047738 NA MeJP NA NA +MJ033532 Edgeworin C18H10O6 322.047738 NA MeJP NA NA +MJ033533 Versicolorin A, 6-Deoxy C18H10O6 322.047738 NA MeJP NA NA +CJneg0523 Xanthosine [(M+Cl)]- (37Cl) C10H12Cl037ClN4O6 322.049925 C18rt(min)=4.27 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0523 Xanthosine [(M+Cl)]- (37Cl) C10H12Cl037ClN4O6 322.049925 C18rt(min)=4.27 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ033534 Trimethyl[4-(2-oxo-1-pyrrolidinyl)-2-butynyl]ammonium(1+); Iodide C11H19IN2O 322.054206 NA MeJP NA NA +C00364 dTMP C10H15N2O8P 322.0566 NA KEGG NA NA +MJ033535 Thymidine 5'-phosphate C10H15N2O8P 322.056601 NA MeJP NA NA +MJ033536 dTMP C10H15N2O8P 322.056602 NA MeJP NA NA +MetaCyc02841 dTMP [T;thymidylic acid;thymidine monophosphate;deoxythymidylate;TMP;thymidine-5'-monophosphate;thymidine-phosphate;thymidine-5'-phosphate;Deoxythymidine 5'-phosphate;5'-Thymidylic acid;Deoxythymidylic acid;Thymidylate;] C10H15N2O8P1 322.056602 365-07-1 metacyc NA NA +MetaCyc02842 thymidine 3'-monophosphate [T3P;[2-(hydroxymethyl)-5-[(5-methyl-2,4-dioxo-1H-pyrimidin-1-yl)]tetrahydrofuran-3-yl]oxyphosphonic acid;] C10H15N2O8P1 322.056602 NA metacyc NA NA +HMDB01227 5-Thymidylic acid C10H15N2O8P 322.05661 http://www.hmdb.ca/metabolites/HMDB01227 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01227 5-Thymidylic acid C10H15N2O8P 322.05661 http://www.hmdb.ca/metabolites/HMDB01227 HMDB NA NA +HMDB01227 5-Thymidylic acid C10H15N2O8P 322.05661 http://www.hmdb.ca/metabolites/HMDB01227 PFEM_hmdb_metabocards_blood NA blood +HMDB01227 5-Thymidylic acid C10H15N2O8P 322.05661 HMDB01227 PFEM_hmdb_metabocards_official NA NA +HMDB01227 5-Thymidylic acid C10H15N2O8P 322.05661 NA HMDB2010 NA NA +MJ033537 16-Bromo-7,15-hexadecadiene-5,13-diynoic acid C16H19BrO2 322.056842 NA MeJP NA NA +MJ033538 16-Bromo-9,15-hexadecadiene-5,7-diynoic acid C16H19BrO2 322.056842 NA MeJP NA NA +MJ033539 Cymopochromenol C16H19BrO2 322.056842 NA MeJP NA NA +MJ033540 Aviprin, 3'-Deoxy, 3'-chloro C16H15ClO5 322.060801 NA MeJP NA NA +MJ033541 Heraclenol, 3'-Deoxy, 3'-chloro C16H15ClO5 322.060801 NA MeJP NA NA +MJ033542 Bisnorpenicillin V C14H14N2O5S 322.062342 NA MeJP NA NA +MJ033543 ?-Glutamyl-S-allylthiocysteine; L-L-form C11H18N2O5S2 322.065713 NA MeJP NA NA +MJ033544 N-?-Glutamylcysteine; L-L-form, S-(2-Propenylthio) C11H18N2O5S2 322.065713 NA MeJP NA NA +FL63GCNS0001 Elephantorrhizol;(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol C15H14O8 322.06886 848154-70-1 knapsack NA NA +FL6DAGNS0001 Gallocatechin-4beta-ol C15H14O8 322.06886 89819-67-6 knapsack NA NA +MJ033545 Leucodelphinidin C15H14O8 322.068867 NA MeJP NA NA +MJ033546 3,3',4,4',5,5',7-Heptahydroxyflavan C15H14O8 322.068867 NA MeJP NA NA +MJ033547 Altenuic acid I C15H14O8 322.068867 NA MeJP NA NA +MJ033548 Fulvic acid; 7-Me ether C15H14O8 322.068867 NA MeJP NA NA +MJ033549 Lomastilone C15H14O8 322.068867 NA MeJP NA NA +MetaCyc02843 leucodelphinidin [leucoefdin;leucodelfinidin;] C15H14O8 322.068867 NA metacyc NA NA +C05909 Leucodelphinidin C15H14O8 322.0689 NA KEGG NA NA +MJ033550 Sulfalene; N-Ac C13H14N4O4S 322.073575 NA MeJP NA NA +MJ033551 Sulfamethoxypyridazine; N'-Ac C13H14N4O4S 322.073575 NA MeJP NA NA +MetaCyc02844 3-hydroxy-2-oxindole-3-acetyl-asp [3-hydroxy-2-oxindole-3-acetyl-aspartic acid;3-hydroxy-2-indolone-3-acetyl-aspartic acid;] C14H14N2O7 322.080101 NA metacyc NA NA +C12374 Decarboxytetracenomycin F1 C19H14O5 322.0841 NA KEGG NA NA +C12396 Tetrangomycin C19H14O5 322.0841 NA KEGG NA NA +FL1C1CNF0001 Ovalitenin C C19H14O5 322.08412 75680-32-9 knapsack NA NA +FL3F18NF0002 Millettocalyxin C;2-(2,5-Dimethoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one C19H14O5 322.08412 422308-57-4 knapsack NA NA +FL5F1ANF0001 3,4'-Dimethoxyfurano[2,3:7,8]flavone C19H14O5 322.08412 70894-16-5 knapsack NA NA +MJ033552 1,10,12-Trihydroxy-8-methyl-6H-benzo[d]naphtho-[1,2-b]-pyran-6-one; 10-Me ether C19H14O5 322.084123 NA MeJP NA NA +MJ033553 2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol, 3'-Hydroxy, 1-ketone C19H14O5 322.084123 NA MeJP NA NA +MJ033554 3,5,6-Trimethoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one; 5-Demethoxy C19H14O5 322.084123 NA MeJP NA NA +MJ033555 3-Methoxy-2-(4-methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one C19H14O5 322.084123 NA MeJP NA NA +MJ033556 5,5-Dimethyl-11-oxo-5H,11H-[2]benzopyrano[4,3-g][1]benzopyran-9-carboxylic acid C19H14O5 322.084123 NA MeJP NA NA +MJ033557 Antibiotic SF 2609; Antibiotic SF 2609A C19H14O5 322.084123 NA MeJP NA NA +MJ033558 Emycin B C19H14O5 322.084123 NA MeJP NA NA +MJ033559 Fujianmycin A C19H14O5 322.084123 NA MeJP NA NA +MJ033560 Kinafluorenone C19H14O5 322.084123 NA MeJP NA NA +MJ033561 Ovalitenin C C19H14O5 322.084123 NA MeJP NA NA +MJ033562 Pulvinic acid; Me ester C19H14O5 322.084123 NA MeJP NA NA +MJ033563 Rabelomycin; 3-Deoxy C19H14O5 322.084123 NA MeJP NA NA +MJ033564 Tetracenomycin D; 5-Deoxo C19H14O5 322.084123 NA MeJP NA NA +MJ033565 Tetrangomycin C19H14O5 322.084123 NA MeJP NA NA +MJ033566 Viridin; 2-Demethoxy C19H14O5 322.084123 NA MeJP NA NA +MJ033567 Lepidimoic acid C12H18O10 322.089996 NA MeJP NA NA +MJ033568 ?-Amino-5-(1,1-dimethylethyl)-3-(phosphonomethoxy)-4-isoxazolepropanoic acid C11H19N2O7P 322.092987 NA MeJP NA NA +PJ000304 SCN C10H18N4O6S 322.0947 NA PeJP NA NA +MJ033569 Bipolaramide C18H14N2O4 322.095356 NA MeJP NA NA +MJ033570 Flazin; Me ester C18H14N2O4 322.095356 NA MeJP NA NA +MJ033571 Imbiline 1; 10-Methoxy C18H14N2O4 322.095356 NA MeJP NA NA +MJ033572 Imbiline 1; 9-Methoxy C18H14N2O4 322.095356 NA MeJP NA NA +MJ033573 Telikovinone C18H14N2O4 322.095356 NA MeJP NA NA +MJ033574 Strobilurin A; 3'-Methoxy, 4'-chloro C17H19ClO4 322.097186 NA MeJP NA NA +MJ033575 1-[(2-Hydroxyethoxy)methyl]-6-(phenylthio)thymine; Me ether C15H18N2O4S 322.098727 NA MeJP NA NA +MJ033576 1,2-Dihydro-1-hydroxy-2-(1,2,3-trihydroxy-3-methylbutyl)-8H-furo[2,3h]-1-benzopyran-8-one C16H18O7 322.105252 NA MeJP NA NA +MJ033577 4-Hydroxy-5,6-undecadiene-8,10-diynoic acid, O-?-D-Xylopyranoside C16H18O7 322.105252 NA MeJP NA NA +MJ033578 Curvularin, 11?-Hydroxy, 12-oxo C16H18O7 322.105252 NA MeJP NA NA +MJ033579 Fusarubin; 4a?,10a?-Dihydro, 3-Me ether C16H18O7 322.105252 NA MeJP NA NA +MJ033580 Luisol A C16H18O7 322.105252 NA MeJP NA NA +MJ033581 Purpurenol C16H18O7 322.105252 NA MeJP NA NA +MJ033582 Rehmaglutin A; 7-Deoxy, 3?-hydroxy, 6-O-(4-hydroxybenzoyl) C16H18O7 322.105252 NA MeJP NA NA +MJ033583 Rehmaglutin A; 7-Deoxy, 3?-hydroxy, 6-O-(4-hydroxybenzoyl) C16H18O7 322.105252 NA MeJP NA NA +MJ033584 5-[2-(4-Fluorophenyl)ethenyl]-8-methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepine C19H15FN2O2 322.111755 NA MeJP NA NA +MJ033585 Antibiotic 2096A C11H14N8O4 322.1138 NA MeJP NA NA +MJ033586 2-Chloro-5-methoxy-4-[5-(2-piperidinylmethyl)-1,2,4-oxadiazol-3-yl]benzenamine C15H19ClN4O2 322.119653 NA MeJP NA NA +HMDB06834 D-Pantothenoyl-L-cysteine C12H22N2O6S 322.119843 NA HMDB2010 NA NA +MJ033587 N-((R)-Pantothenoyl)-L-cysteine C12H22N2O6S 322.119857 NA MeJP NA NA +MetaCyc02845 N-((R)-Pantothenoyl)-L-cysteine [D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine;] C12H22N2O6S1 322.119857 NA metacyc NA NA +MetaCyc02846 N-pantothenoyl-cysteine [] C12H22N2O6S1 322.119857 NA metacyc NA NA +HMDB06834 D-Pantothenoyl-L-cysteine C12H22N2O6S 322.11987 http://www.hmdb.ca/metabolites/HMDB06834 HMDB NA NA +HMDB06834 D-Pantothenoyl-L-cysteine C12H22N2O6S 322.11987 HMDB06834 PFEM_hmdb_metabocards_official NA NA +C04079 N-((R)-Pantothenoyl)-L-cysteine C12H22N2O6S 322.1199 NA KEGG NA NA +C04080 N-(Long-chain-acyl)ethanolamine C3H6NO2R 322.1199 NA KEGG NA NA +C09318 Abyssinone I C20H18O4 322.1205 NA KEGG NA NA +C10514 (-)-Phaseollin C20H18O4 322.1205 NA KEGG NA NA +C11324 6-(3,3-Dimethylallyl)chrysin C20H18O4 322.1205 NA KEGG NA NA +C11325 8-(3,3-Dimethylallyl)chrysin C20H18O4 322.1205 NA KEGG NA NA +FL1C1ANP0001 Kanzonol B C20H18O4 322.1205 155233-19-5 knapsack NA NA +FL1C1ANP0002 Isobavachromene;4-Hydroxylonchocarpin C20H18O4 322.1205 52801-22-6<BR>56083-03-5 knapsack NA NA +FL1C1ANP0005 Bavachromene C20H18O4 322.1205 41743-38-3 knapsack NA NA +FL1C29NP0001 Flemichapparin A C20H18O4 322.1205 32507-61-2<BR>30880-56-9 knapsack NA NA +FL1CRTNP0002 Munsericin C20H18O4 322.1205 158991-21-0 knapsack NA NA +FL2F1ANP0001 Abyssinone I C20H18O4 322.1205 77263-07-1 knapsack NA NA +FL2F1CNP0002 4'-Hydroxyisolonchocarpin C20H18O4 322.1205 78316-30-0 knapsack NA NA +FL2FA9NP0003 Obovatin C20H18O4 322.1205 69640-77-3 knapsack NA NA +FL3F1ANI0002 Kanzonol D;7-Hydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one C20H18O4 322.1205 155233-20-8 knapsack NA NA +FL3F1ANI0004 Licoflavone A;7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C20H18O4 322.1205 61153-77-3 knapsack NA NA +FL3F1ANI0005 7,4'-Dihydroxy-8-prenylflavone;7-Hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C20H18O4 322.1205 76690-67-0 knapsack NA NA +FL3FA9NI0001 5,7-Dihydroxy-8-prenylflavone C20H18O4 322.1205 34125-75-2 knapsack NA NA +FL4D19NP0001 3-Hydroxyisolonchocarpin C20H18O4 322.1205 70215-98-4 knapsack NA NA +FLIA1ANI0001 Neobavaisoflavone C20H18O4 322.1205 41060-15-5 knapsack NA NA +FLIA1ANI0004 Nordurlettone;7-Hydroxy-4'-prenyloxyisoflavone C20H18O4 322.1205 130289-25-7 knapsack NA NA +FLICWXNP0001 Glabrene C20H18O4 322.1205 60008-03-9 knapsack NA NA +FLID1ANP0001 (-)-Phaseollin;Phaseolin C20H18O4 322.1205 13401-40-6 knapsack NA NA +FLID1ANP0002 Neorautenol C20H18O4 322.1205 53766-52-2 knapsack NA NA +FLID1ANP0006 Isoneorautenol;3-Hydroxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpan C20H18O4 322.1205 998755-24-9 knapsack NA NA +MJ033588 1,4-Dihydroxy-5,16-octadecadiene-8,10,12,14-tetrayn-7-one; 1-Ac C20H18O4 322.120509 NA MeJP NA NA +MJ033589 2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol, 4'-Me ether C20H18O4 322.120509 NA MeJP NA NA +MJ033590 3,7-Dihydroxy-8-prenylflavone C20H18O4 322.120509 NA MeJP NA NA +MJ033591 3-Hydroxyisolonchocarpin C20H18O4 322.120509 NA MeJP NA NA +MJ033592 4',7-Dihydroxy-3'-prenylflavone C20H18O4 322.120509 NA MeJP NA NA +MJ033593 4',7-Dihydroxy-3'-prenylisoflavone C20H18O4 322.120509 NA MeJP NA NA +MJ033594 4',7-Dihydroxy-6-prenylflavone C20H18O4 322.120509 NA MeJP NA NA +MJ033595 4',7-Dihydroxy-8-prenylflavone C20H18O4 322.120509 NA MeJP NA NA +MJ033596 4',7-Dihydroxy-8-prenylisoflavone C20H18O4 322.120509 NA MeJP NA NA +MJ033597 4',7-Dihydroxyisoflavone; 4'-O-(3-Methyl-2-butenyl) C20H18O4 322.120509 NA MeJP NA NA +MJ033598 7-Hydroxy-(4-hydroxyphenyl)-6-prenylcoumarin C20H18O4 322.120509 NA MeJP NA NA +MJ033599 Abyssinone I C20H18O4 322.120509 NA MeJP NA NA +MJ033600 Bavachromene C20H18O4 322.120509 NA MeJP NA NA +MJ033601 Cyclocoumarol C20H18O4 322.120509 NA MeJP NA NA +MJ033602 Erystagallin C; 3'-Deoxy, 3',4'-didehydro C20H18O4 322.120509 NA MeJP NA NA +MJ033603 Eupomatenoid 3; 7-Methoxy C20H18O4 322.120509 NA MeJP NA NA +MJ033604 Flemichapparin A C20H18O4 322.120509 NA MeJP NA NA +MJ033605 Glabrene C20H18O4 322.120509 NA MeJP NA NA +MJ033606 Isobavachromene C20H18O4 322.120509 NA MeJP NA NA +MJ033607 Isolonchocarpin, 4'-Hydroxy C20H18O4 322.120509 NA MeJP NA NA +MJ033608 Isoneorautenol C20H18O4 322.120509 NA MeJP NA NA +MJ033609 Kanzonol B C20H18O4 322.120509 NA MeJP NA NA +MJ033610 Munsericin C20H18O4 322.120509 NA MeJP NA NA +MJ033611 Neorautenol C20H18O4 322.120509 NA MeJP NA NA +MJ033612 Obovatin C20H18O4 322.120509 NA MeJP NA NA +MJ033613 Phaseollin C20H18O4 322.120509 NA MeJP NA NA +MJ033614 Radulanolide C20H18O4 322.120509 NA MeJP NA NA +MJ033615 Rubiginone A1; 4-Deoxy C20H18O4 322.120509 NA MeJP NA NA +MJ033616 Shinpterocarpin C20H18O4 322.120509 NA MeJP NA NA +MJ033617 Terphenyllin; 4-Deoxy C20H18O4 322.120509 NA MeJP NA NA +MJ033618 Vermilutin C20H18O4 322.120509 NA MeJP NA NA +MetaCyc02847 (-)-phaseollin [] C20H18O4 322.120509 NA metacyc NA NA +MJ033619 Finrozole C18H15FN4O 322.122989 NA MeJP NA NA +MJ033620 Furodysinin lactone; 14-(Acetylthio) C17H22O4S 322.123879 NA MeJP NA NA +MJ033621 3,6-Dibenzyl-2,5-dihydroxypyrazine; 2-Me ether, N4-oxide C19H18N2O3 322.131742 NA MeJP NA NA +MJ033622 3-[2-(Cinnamoylamino)ethyl]-3-hydroxy-2-indolinone C19H18N2O3 322.131742 NA MeJP NA NA +MJ033623 5-Hydroxytryptamine; Nb-(4-Hydroxycinnamoyl)(E-) C19H18N2O3 322.131742 NA MeJP NA NA +MJ033624 Alangimaridine C19H18N2O3 322.131742 NA MeJP NA NA +MJ033625 Halfordinol; O-(3-Methyl-2-oxobutyl) C19H18N2O3 322.131742 NA MeJP NA NA +MJ033626 Kebuzone C19H18N2O3 322.131742 NA MeJP NA NA +MJ033627 Mappicine, 19-Hydroxy C19H18N2O3 322.131742 NA MeJP NA NA +MJ033628 Santiagonamine C19H18N2O3 322.131742 NA MeJP NA NA +MJ033629 Spiguetidine; Me ether C19H18N2O3 322.131742 NA MeJP NA NA +MJ033630 N-[4-[5-[(4-Fluorophenoxy)methyl]tetrahydro-2-furanyl]-3-butynyl]-N-hydroxyurea C16H19FN2O4 322.132885 NA MeJP NA NA +MJ033631 Colletorin B; 5-Chloro C18H23ClO3 322.133572 NA MeJP NA NA +MJ033632 Glyhexamide C16H22N2O3S 322.135113 NA MeJP NA NA +MJ033633 Avenic acid A C12H22N2O8 322.137615 NA MeJP NA NA +MJ033634 Lysine, N2-Galacturonopyranoside C12H22N2O8 322.137615 NA MeJP NA NA +MJ033635 Lysine, N6-D-Galacturonopyranoside C12H22N2O8 322.137615 NA MeJP NA NA +C09559 Tetraneurin A C17H22O6 322.1416 NA KEGG NA NA +C09568 epi-Tulipinolide diepoxide C17H22O6 322.1416 NA KEGG NA NA +MJ033636 1,10-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 8-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033637 1,10-Epoxy-6,15-dihydroxy-4,11(13)-germacradien-12,8-olide, 15-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033638 1,10-Epoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 14-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033639 1,10-Epoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide, 15-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033640 1,10:4,5-Diepoxy-8-hydroxy-11(13)-germacren-12,6-olide, Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033641 1,11-Dihydroxy-3-oxo-4-eudesmen-12,6-olide, 1-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033642 1,15-Dihydroxy-9,11(13)-germacradiene-12,6:14,8-diolide, O1-Et C17H22O6 322.141638 NA MeJP NA NA +MJ033643 1,3,13-Trihydroxy-4(15),7(11)-eudesmadien-12,6-olide, 3-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033644 1,3,13-Trihydroxy-4,7(11),10(14)-germacratrien-12,6-olide, 3-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033645 1,3,13-Trihydroxy-4,7(11),9-germacratrien-12,6-olide, 3-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033646 1,3,8-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 3-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033647 1,3,9-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 3-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033648 1,4,14-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ketone, 14-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033649 1,4,15-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ketone, 15-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033650 1,4,8-Trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033651 1,6,10-Trihydroxy-7(11),8-eremophiladien-12,8-olide, 6-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033652 1,6-Dihydroxy-8-oxo-7(11),9-eremophiladien-12-oic acid, 1-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033653 1,8,15-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 15-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033654 1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 3?,4?-Epoxide, 8-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033655 1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Hydroperoxide, 8-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033656 1-(2,3,4,5-Tetrahydroxyphenyl)-1-propanol; 2',3'-Methylene, 4',5'-di-Me ether, 1-O-angeloyl C17H22O6 322.141638 NA MeJP NA NA +MJ033657 11,13-Dihydroxy-3-oxo-10(14)-guaien-12,6-olide, 11-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033658 11,13-Dihydroxy-3-oxo-10(14)-guaien-12,6-olide, 13-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033659 2,10-Dihydroxy-3-oxo-1,11(13)-eremophiladien-12-oic acid; 10?-form, 2-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033660 2,3-Epoxy-4,6-dihydroxy-11(13)-pseudoguaien-12,8-olide, 6-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033661 2,5-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 5-Hydroperoxide, 2-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033662 2,8,13-Trihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 2-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033663 2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone; 4''-Acetoxy C17H22O6 322.141638 NA MeJP NA NA +MJ033664 3,11,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide, 13-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033665 3,11,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide, 3-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033666 3,15-Dihydroxy-4,11(13)-eudesmadien-12,8-olide; 3?-form, 3-Hydroperoxide, 15-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033667 3,4,5,6,7,8-Hexahydro-7,12,14-trihydroxy-3-methyl-1H-2-benzoxacyclodecin-1,9(10H)-dione; 7-Me ether C17H22O6 322.141638 NA MeJP NA NA +MJ033668 3,4,8-Trihydroxy-1,9-guaiadien-12,6-olide, 8-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033669 3,4-Epoxy-2,6-dihydroxy-11(13)-pseudoguaien-12,8-olide, 6-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033670 3,6,8-Trihydroxy-1(10),7(11)-eremophiladien-12,8-olide, 3-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033671 3,6-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 1?,10?-Epoxide, 3-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033672 3,9,10-Trihydroxy-4,11(13)-guaiadien-12,6-olide, 9-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033673 4,15-Dihydroxy-3-oxo-10(14)-guaien-12,6-olide, 4-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033674 4,6-Dihydroxy-9,11(13)-guaiadien-12,8-olide, 9?,10?-Epoxide, 6-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033675 4,9,10-Trihydroxy-2,11(13)-guaiadien-12,6-olide, 9-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033676 5,7-Dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-methyl-4H-1-benzopyran-4-one; 2'-Hydroxy, 5,7-di-Me ether C17H22O6 322.141638 NA MeJP NA NA +MJ033677 6,11-Epoxy-4-hydroxy-5,10-pinguisadiene-12,15-dioic acid; 4?-form, Di-Me ester C17H22O6 322.141638 NA MeJP NA NA +MJ033678 6,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 4?,5?-Epoxide, 14-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033679 6,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 1R,10S-Epoxide, 15-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033680 7(6?5)-Abeo-2,7:10,11-diepoxy-3-hydroxy-6,11-pingiusanolide, Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033681 7,8-Epoxy-6-hydroxy-1-oxo-12,8-eremophilanolide, Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033682 7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 1'-Et ether C17H22O6 322.141638 NA MeJP NA NA +MJ033683 8,13-Dihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 4?,5?-Epoxide, 13-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033684 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033685 8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 4?,5?-Epoxide, 14-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033686 8,9,10-Trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033687 8,9,10-Trihydroxy-3,11(13)-guaiadien-12,6-olide, 9-Ac C17H22O6 322.141638 NA MeJP NA NA +MJ033688 Cochliospicin A C17H22O6 322.141638 NA MeJP NA NA +MJ033689 Curvularin, 11?-Methoxy C17H22O6 322.141638 NA MeJP NA NA +MJ033690 Cyclospinosolide C17H22O6 322.141638 NA MeJP NA NA +MJ033691 Eremofortin C C17H22O6 322.141638 NA MeJP NA NA +MJ033692 Mexoticin, 3'-Me ether C17H22O6 322.141638 NA MeJP NA NA +MJ033693 Neovasinone C17H22O6 322.141638 NA MeJP NA NA +MJ033694 Secomacrotolide; 6?-Acetoxy C17H22O6 322.141638 NA MeJP NA NA +MJ033695 Toddalolactone; 3'-Me ether C17H22O6 322.141638 NA MeJP NA NA +MJ033696 p-Mentha-1,3,5,8-tetraene-2,5,9,10-tetrol; 10-(2-Methylpropanoyl), 9-Ac, 2-Me ether C17H22O6 322.141638 NA MeJP NA NA +MJ033697 Pumitepa C12H19N8OP 322.141943 NA MeJP NA NA +MJ033698 Benzapyrin C18H18N4O2 322.142975 NA MeJP NA NA +MJ033699 Mesocarb C18H18N4O2 322.142975 NA MeJP NA NA +MJ033700 Methylniphenazine C18H18N4O2 322.142975 NA MeJP NA NA +MJ033701 Bisaramil C17H23ClN2O2 322.144805 NA MeJP NA NA +MJ033702 Mequitazine C20H22N2S 322.150369 NA MeJP NA NA +C12755 Mequitazine C20H22N2S 322.1504 NA KEGG NA NA +C12757 Transferred to D01325 C20H22N2S 322.1504 NA KEGG NA NA +C12758 Transferred to D01326 C20H22N2S 322.1504 NA KEGG NA NA +C12759 Transferred to D01327 C20H22N2S 322.1504 NA KEGG NA NA +C12760 Transferred to D01328 C20H22N2S 322.1504 NA KEGG NA NA +C12761 Transferred to D01329 C20H22N2S 322.1504 NA KEGG NA NA +C12762 Transferred to D01330 C20H22N2S 322.1504 NA KEGG NA NA +C12763 Transferred to D01331 C20H22N2S 322.1504 NA KEGG NA NA +C12764 Transferred to D01332 C20H22N2S 322.1504 NA KEGG NA NA +C12765 Transferred to D01333 C20H22N2S 322.1504 NA KEGG NA NA +CJneg0524 Octanoylglucuronide [(M-H)]- (18O) C14H23O718O 322.151925 C18rt(min)=8.06 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0524 Octanoylglucuronide [(M-H)]- (18O) C14H23O718O 322.151925 C18rt(min)=8.06 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ033703 Butilfenin C16H22N2O5 322.152871 NA MeJP NA NA +MJ033704 Etifenin C16H22N2O5 322.152871 NA MeJP NA NA +MJ033705 N-Tyrosylvaline; O-Ac C16H22N2O5 322.152871 NA MeJP NA NA +MJ033706 Terezine B C16H22N2O5 322.152871 NA MeJP NA NA +MJ033707 1,15-Diisothiocyanato-1,14-pentadecadiene C17H26N2S2 322.15374 NA MeJP NA NA +FL1C19NI0003 Derricin C21H22O3 322.15689 38965-77-4 knapsack NA NA +FL2F19NI0005 Isoderricin A C21H22O3 322.15689 38965-75-2 knapsack NA NA +MJ033708 2',4'-Dihydroxy-3'-prenylchalcone; 4'-Me ether C21H22O3 322.156894 NA MeJP NA NA +MJ033709 7-Hydroxy-8-prenylflavanone, Me ether C21H22O3 322.156894 NA MeJP NA NA +MJ033710 7-[2-(2,4-Dihydroxyphenyl)ethenyl]-2,2-dimethyl-2H-1-benzopyran, Di-Me ether C21H22O3 322.156894 NA MeJP NA NA +MJ033711 Asnipyrone A C21H22O3 322.156894 NA MeJP NA NA +MJ033712 Lonchocarpene C21H22O3 322.156894 NA MeJP NA NA +MJ033713 Pterosin B, O-Benzoyl C21H22O3 322.156894 NA MeJP NA NA +MJ033714 1-(2-Hydroxyethyl)-1,4-cyclohexanediol, 2'-O-?-D-Glucopyranoside C14H26O8 322.162767 NA MeJP NA NA +MJ033715 1-(2-Hydroxyethyl)-1,4-cyclohexanediol, 2'-?-D-Glucopyranoside C14H26O8 322.162767 NA MeJP NA NA +MJ033716 3-Hydroxybutanoic acid, Butyl ester, O-?-D-glucopyranoside C14H26O8 322.162767 NA MeJP NA NA +MJ033717 Marsectobiose C14H26O8 322.162767 NA MeJP NA NA +MJ033718 Pachybiose C14H26O8 322.162767 NA MeJP NA NA +MJ033719 Monamidocin C15H22N4O4 322.164105 NA MeJP NA NA +C09025 Akuammicine C20H22N2O2 322.1681 NA KEGG NA NA +C09207 Gelsemine C20H22N2O2 322.1681 NA KEGG NA NA +C12072 Gardneral C20H22N2O2 322.1681 NA KEGG NA NA +C16728 Quinidinone C20H22N2O2 322.1681 NA KEGG NA NA +C16729 Thyroglobulin L-thyroxine C16H10I4N2O4R2 322.1681 NA KEGG NA NA +C16730 Thyroglobulin triiodothyronine C16H11I3N2O4R2 322.1681 NA KEGG NA NA +C16731 Thyroglobulin 3,5-diiodotyrosine C10H8I2N2O3R2 322.1681 NA KEGG NA NA +C16732 Thyroglobulin 3-Iodotyrosine C10H9IN2O3R2 322.1681 NA KEGG NA NA +C16733 Thyroglobulin L-tyrosine C10H10N2O3R2 322.1681 NA KEGG NA NA +C16734 Thyroglobulin aminoacrylate C4H4N2O2R2 322.1681 NA KEGG NA NA +MJ033720 (2,2-Dimethyl-2H-1-benzopyran-6-yl)ethylamine; N-(3-Pyridinecarbonyl), N-Me C20H22N2O2 322.168127 NA MeJP NA NA +MJ033721 1-Azabicyclo[2.2.2]oct-4-yl [1,1'-biphenyl]-2-ylcarbamate C20H22N2O2 322.168127 NA MeJP NA NA +MJ033722 Akuammicine C20H22N2O2 322.168127 NA MeJP NA NA +MJ033723 Aspidofractinine, 14,15-Didehydro, 12-hydroxy, N1-formyl C20H22N2O2 322.168127 NA MeJP NA NA +MJ033724 Borrecoxine C20H22N2O2 322.168127 NA MeJP NA NA +MJ033725 Caracurine VII; Deoxy, Na-formyl C20H22N2O2 322.168127 NA MeJP NA NA +MJ033726 Condylocarpine C20H22N2O2 322.168127 NA MeJP NA NA +MJ033727 Decarbomethoxyapocuanzine C20H22N2O2 322.168127 NA MeJP NA NA +MJ033728 Gardnutine C20H22N2O2 322.168127 NA MeJP NA NA +MJ033729 Gelsemine C20H22N2O2 322.168127 NA MeJP NA NA +MJ033730 Haplamidine C20H22N2O2 322.168127 NA MeJP NA NA +MJ033731 Isoschizogaline C20H22N2O2 322.168127 NA MeJP NA NA +MJ033732 Kopsanol; 22-Epimer, 10-oxo C20H22N2O2 322.168127 NA MeJP NA NA +MJ033733 Kopsine, Decarbomethoxy C20H22N2O2 322.168127 NA MeJP NA NA +MJ033734 Koumine, Nb-Oxide(S-) C20H22N2O2 322.168127 NA MeJP NA NA +MJ033735 Metoxepin C20H22N2O2 322.168127 NA MeJP NA NA +MJ033736 Nor-C-fluorocurarine, 10-Methoxy C20H22N2O2 322.168127 NA MeJP NA NA +MJ033737 Pagicerine; De(methoxycarbonyl) C20H22N2O2 322.168127 NA MeJP NA NA +MJ033738 Panarine C20H22N2O2 322.168127 NA MeJP NA NA +MJ033739 Pericyclivine C20H22N2O2 322.168127 NA MeJP NA NA +MJ033740 Pleiocarpamine C20H22N2O2 322.168127 NA MeJP NA NA +MJ033741 Purpeline; N-De-Me C20H22N2O2 322.168127 NA MeJP NA NA +MJ033742 Purpeline; O-De-Me C20H22N2O2 322.168127 NA MeJP NA NA +MJ033743 Quinidine; Ketone C20H22N2O2 322.168127 NA MeJP NA NA +MJ033744 Rauflorine; 10-Methoxy C20H22N2O2 322.168127 NA MeJP NA NA +MJ033745 Rhazinal C20H22N2O2 322.168127 NA MeJP NA NA +MJ033746 Schizogaline C20H22N2O2 322.168127 NA MeJP NA NA +MJ033747 Strictamine C20H22N2O2 322.168127 NA MeJP NA NA +MJ033748 Strychnopivotine C20H22N2O2 322.168127 NA MeJP NA NA +MJ033749 Vellosimine; 10-Methoxy C20H22N2O2 322.168127 NA MeJP NA NA +MJ033750 Vincanidine; Me ether C20H22N2O2 322.168127 NA MeJP NA NA +MJ033751 Vomilenine; Deoxy, 12-methoxy, O-de-Ac C20H22N2O2 322.168127 NA MeJP NA NA +MJ033752 10-Methoxydihydrocorynantheol; 3,4,5,6,18,19-Hexadehydro C20H23N2O2(+) 322.168127 NA MeJP NA NA +MJ033753 Macrophylline A C20H23N2O2(+) 322.168127 NA MeJP NA NA +MJ033754 Clostebol C19H27ClO2 322.169957 NA MeJP NA NA +C15004 16beta-Chloro-17beta-hydroxyandrost-4-en-3-one C19H27ClO2 322.17 NA KEGG NA NA +C15024 19-Chloro-17beta-hydroxyandrost-4-en-3-one C19H27ClO2 322.17 NA KEGG NA NA +MJ033755 Dioxadet C14H22N6O3 322.175338 NA MeJP NA NA +3805 ileum contracting peptide YPLPR 322.176 MH2+ Inhouse_peptide NA peptide +C14752 alpha-Zearalanol C18H26O5 322.178 NA KEGG NA NA +C14753 beta-Zearalanol C18H26O5 322.178 NA KEGG NA NA +MJ033756 1,3-Dihydroxy-4-eudesmen-12,6-olide, 3-Propanoyl C18H26O5 322.178023 NA MeJP NA NA +MJ033757 2-(3,4-Dihydroxyphenyl)tetrahydro-4-hydroxy-6-pentyl-2H-pyran, 4-Ac C18H26O5 322.178023 NA MeJP NA NA +MJ033758 8-Oxo-2,4,6-hexadecatrienedioic acid, 1-Et ester C18H26O5 322.178023 NA MeJP NA NA +MJ033759 Barbacenic acid C18H26O5 322.178023 NA MeJP NA NA +MJ033760 Botryenalol; 15-Carboxylic acid, Me ester C18H26O5 322.178023 NA MeJP NA NA +MJ033761 Colletochlorin A, Dechloro C18H26O5 322.178023 NA MeJP NA NA +MJ033762 Evodione; 1'-Alcohol, Et ether C18H26O5 322.178023 NA MeJP NA NA +MJ033763 Ovalimethoxy I; 10?,11?-Epoxide C18H26O5 322.178023 NA MeJP NA NA +MJ033764 Ovalimethoxy I; 3-Epimer, 10?,11?-epoxide C18H26O5 322.178023 NA MeJP NA NA +MJ033765 Tomentellin; 2',3',6',7'-Tetrahydro, O3-de-Me C18H26O5 322.178023 NA MeJP NA NA +MJ033766 Trisporic acid E C18H26O5 322.178023 NA MeJP NA NA +MJ033767 Zearalanol C18H26O5 322.178023 NA MeJP NA NA +MJ033768 Cianergoline C19H22N4O 322.179361 NA MeJP NA NA +C01441 Neamine C12H26N4O6 322.1852 NA KEGG NA NA +C01442 Nigeran C12H26N4O6 322.1852 NA KEGG NA NA +MJ033769 Neomycin A C12H26N4O6 322.185234 NA MeJP NA NA +C15164 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one C19H27FO3 322.1944 NA KEGG NA NA +MJ033770 Aspidofractinine, 14,15-Didehydro, 12-methoxy, N1-Me C21H26N2O 322.204513 NA MeJP NA NA +MJ033771 Fenpipramide C21H26N2O 322.204513 NA MeJP NA NA +MJ033772 N-[1-Phenyl-3-(1-piperidinyl)propyl]benzamide C21H26N2O 322.204513 NA MeJP NA NA +MJ033773 Tolnapersine C21H26N2O 322.204513 NA MeJP NA NA +MJ033774 Tombozine; Me ether, N4-Me C21H27N2O(+) 322.204513 NA MeJP NA NA +C10399 Rapanone C19H30O4 322.2144 NA KEGG NA NA +C15494 Decylubiquinone C19H30O4 322.2144 NA KEGG NA NA +C17495 (8)-Gingerol C19H30O4 322.2144 NA KEGG NA NA +MJ033775 15,16-Dihydroxy-19-nor-4-rosen-3-one, 6?-Hydroxy C19H30O4 322.214409 NA MeJP NA NA +MJ033776 15-Hydroxy-16-nor-14-oxo-8(17)-labden-19-oic acid C19H30O4 322.214409 NA MeJP NA NA +MJ033777 16,17-Dihydroxy-19-nor-18-kauranoic acid C19H30O4 322.214409 NA MeJP NA NA +MJ033778 16-Hydroxy-9-oxo-10,12,14-octadecatrienoic acid, Me ester C19H30O4 322.214409 NA MeJP NA NA +MJ033779 2,5-Dihydroxy-3-tridecyl-1,4-benzoquinone C19H30O4 322.214409 NA MeJP NA NA +MJ033780 2,6,10-Farnesatriene-1,12-diol; Di-Ac C19H30O4 322.214409 NA MeJP NA NA +MJ033781 3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(2-Methylpropanoyl) C19H30O4 322.214409 NA MeJP NA NA +MJ033782 3,5-Dihydro-3-hydroxymonacolin L C19H30O4 322.214409 NA MeJP NA NA +MJ033783 3-Hydroxy-17-nor-8-oxo-13-labden-15-oic acid C19H30O4 322.214409 NA MeJP NA NA +MJ033784 3-Hydroxy-4(15)-eudesmen-12-oic acid, Methylpropanoyl C19H30O4 322.214409 NA MeJP NA NA +MJ033785 3-[(7-Hydroxy-1-hexadecene-3,5-diynyl)oxy]-1,2-propanediol C19H30O4 322.214409 NA MeJP NA NA +MJ033786 4,6-Dihydroxy-8-daucen-10-one, 6-(2-Methylpropanoyl) C19H30O4 322.214409 NA MeJP NA NA +MJ033787 5-Tridecyl-1,3-benzenediol; 8'-Oxo, 2'R-hydroxy C19H30O4 322.214409 NA MeJP NA NA +MJ033788 8,16-Dihydroxy-17-nor-6,13-labdadien-15-oic acid C19H30O4 322.214409 NA MeJP NA NA +MJ033789 8-Hydroxy-15-nor-14-oxo-13(16)-labden-19-oic acid; 8?-form C19H30O4 322.214409 NA MeJP NA NA +MJ033790 8-Methyl-1'-oxonorpodopyrone C19H30O4 322.214409 NA MeJP NA NA +MJ033791 9,13-Epoxy-4-hydroxy-18-nor-7-labden-15-oic acid C19H30O4 322.214409 NA MeJP NA NA +MJ033792 Podopyrone; 1'-Oxo C19H30O4 322.214409 NA MeJP NA NA +MJ033793 Podopyrone; 10'-Oxo C19H30O4 322.214409 NA MeJP NA NA +MJ033794 Podopyrone; 9'-Oxo C19H30O4 322.214409 NA MeJP NA NA +MJ033795 [8]-Gingerol C19H30O4 322.214409 NA MeJP NA NA +MJ033796 Chinese bittersweet alkaloid II C18H30N2O3 322.225642 NA MeJP NA NA +MJ033797 Aprindine C22H30N2 322.240898 NA MeJP NA NA +HMDB05045 15S-hydroxyeicosatrienoic acid C20H34O3 322.25079 http://www.hmdb.ca/metabolites/HMDB05045 HMDB NA NA +HMDB05045 15S-hydroxyeicosatrienoic acid C20H34O3 322.25079 HMDB05045 PFEM_hmdb_metabocards_official NA NA +HMDB05045 15(S)-Hydroxyeicosatrienoic acid C20H34O3 322.250793 NA HMDB2010 NA NA +MJ033798 1,12-Epoxy-2,7,15-cembratriene-4,11-diol; 15,16-Dihydro C20H34O3 322.250794 NA MeJP NA NA +MJ033799 1,12-Epoxy-3,7-cembradien-11-ol, 3,4-Epoxide C20H34O3 322.250794 NA MeJP NA NA +MJ033800 1,12:8,11-Diepoxy-3-cembren-7-ol C20H34O3 322.250794 NA MeJP NA NA +MJ033801 1,6,10,14-Phytatetraene-3,5,13-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033802 1,6,10,14-Phytatetraene-3,5,9-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033803 1,6,10-Farnesatriene-3,9-diol; 9-(2-Methylbutanoyl) C20H34O3 322.250794 NA MeJP NA NA +MJ033804 1,6,10-Farnesatriene-3,9-diol; 9-(3-Methylbutanoyl) C20H34O3 322.250794 NA MeJP NA NA +MJ033805 10(18),14-Pachydictyadiene-3,4,6-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033806 11,12-Dihydroxy-1,3-cembradien-7-one C20H34O3 322.250794 NA MeJP NA NA +MJ033807 11,12-Epoxy-2,7-cembradiene-4,6-diol C20H34O3 322.250794 NA MeJP NA NA +MJ033808 11,15,16-Devadaranetriol C20H34O3 322.250794 NA MeJP NA NA +MJ033809 12,14-Labdadiene-6,7,8-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033810 12,14-Labdadiene-6,8,18-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033811 12,16,19-Kauranetriol C20H34O3 322.250794 NA MeJP NA NA +MJ033812 12-Hydroxy-8(17)-labden-19-oic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033813 13(16),14-Labdadiene-6,8,18-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033814 13,17-Epidioxy-3-sphenoloben-18-ol C20H34O3 322.250794 NA MeJP NA NA +MJ033815 13-Hydroxy-18-abietanoic acid; 13?-form C20H34O3 322.250794 NA MeJP NA NA +MJ033816 13-Hydroxy-3-cleroden-15-oic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033817 13-Hydroxy-8,9-seco-14-labdene-8,9-dione C20H34O3 322.250794 NA MeJP NA NA +MJ033818 13-Labdene-3,8,15-triol, 3-Ketone C20H34O3 322.250794 NA MeJP NA NA +MJ033819 13-Labdene-8,15,18-triol, 18-Aldehyde C20H34O3 322.250794 NA MeJP NA NA +MJ033820 13-Labdene-8,15-diol, 15-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033821 13-Labdene-9,15-diol, 15-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033822 14-Hydroxy-15-nor-8(17)-labden-19-oic acid, Me ester C20H34O3 322.250794 NA MeJP NA NA +MJ033823 15,19-Dihydroxy-13-labden-7-one C20H34O3 322.250794 NA MeJP NA NA +MJ033824 15-Hydroxy-1(10)-halimen-18-oic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033825 15-Hydroxy-3,7,11-cembratrien-19-oic acid, 7,8-Dihydro C20H34O3 322.250794 NA MeJP NA NA +MJ033826 15-Hydroxy-8,9-seco-13-labdene-8,9-dione C20H34O3 322.250794 NA MeJP NA NA +MJ033827 15-Isopimarene-1,8,11-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033828 15-Isopimarene-1,8,12-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033829 15-Isopimarene-3,8,19-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033830 15-Isopimarene-3,8,20-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033831 15-Isopimarene-6,7,8-triol; ent-form C20H34O3 322.250794 NA MeJP NA NA +MJ033832 15-Isopimarene-6,8,11-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033833 15-Isopimarene-7,8,11-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033834 15-Isopimarene-7,8,14-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033835 15-Isopimarene-7,8,18-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033836 15-Isopimarene-8,12,19-triol; 12?-form C20H34O3 322.250794 NA MeJP NA NA +MJ033837 15-Pimarene-9,17,18-triol; 9?-form C20H34O3 322.250794 NA MeJP NA NA +MJ033838 15-Rosene-3,5,19-triol; 3?-form C20H34O3 322.250794 NA MeJP NA NA +MJ033839 16,17,18-Aphidicolanetriol; 16?-form C20H34O3 322.250794 NA MeJP NA NA +MJ033840 16,17,18-Kauranetriol C20H34O3 322.250794 NA MeJP NA NA +MJ033841 16,17,19-Kauranetriol C20H34O3 322.250794 NA MeJP NA NA +MJ033842 17-Hydroxy-3-cleroden-15-oic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033843 2,16,17-Kauranetriol C20H34O3 322.250794 NA MeJP NA NA +MJ033844 2,16,18-Kauranetriol C20H34O3 322.250794 NA MeJP NA NA +MJ033845 2,6,10,14-Phytatetraene-1,12,19-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033846 2,6,10,14-Phytatetraene-1,12-diol, 18-Hydroxy C20H34O3 322.250794 NA MeJP NA NA +MJ033847 2,6,10,14-Phytatetraene-1,17,20-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033848 2,6,10,14-Phytatetraene-1,18,19-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033849 2,6,10,14-Phytatetraene-1,20-diol, 6?,7?-Epoxide C20H34O3 322.250794 NA MeJP NA NA +MJ033850 2,6,10,14-Phytatetraene-1,5,13-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033851 2,6,10-Cembratriene-4,8,12-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033852 2,6,12(20)-Cembratriene-4,8,11-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033853 2,6,16-Kauranetriol C20H34O3 322.250794 NA MeJP NA NA +MJ033854 2,6-Dolabelladiene-8,10,18-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033855 2,7,10-Cembratriene-4,6,12-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033856 2,7,11-Cembratriene-1,4,14-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033857 2,7,11-Cembratriene-4,6,10-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033858 2,7,11-Cembratriene-4,6,13-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033859 2,7,11-Cembratriene-4,6,20-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033860 2,7,12(20)-Cembratriene-4,6,11-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033861 2,7-Dolabelladiene-10,18-diol, 7?,8?-Epoxide C20H34O3 322.250794 NA MeJP NA NA +MJ033862 2,7-Dolabelladiene-6,10,18-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033863 2,9,13-Verrucosanetriol C20H34O3 322.250794 NA MeJP NA NA +MJ033864 2-Hydroxy-3-cleroden-15-oic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033865 3,11-Dihydroxy-15-cembren-6-one, 11-Ketone C20H34O3 322.250794 NA MeJP NA NA +MJ033866 3,13,16-Kauranetriol C20H34O3 322.250794 NA MeJP NA NA +MJ033867 3,13-Clerodadiene-15,16,17-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033868 3,13-Clerodadiene-15,16,18-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033869 3,14-Clerodadiene-2,13-diol, 2-Hydroperoxide C20H34O3 322.250794 NA MeJP NA NA +MJ033870 3,15-Dihydroxy-1,6,13-phytatrien-12-one C20H34O3 322.250794 NA MeJP NA NA +MJ033871 3,16,17-Atisanetriol C20H34O3 322.250794 NA MeJP NA NA +MJ033872 3,16,17-Kauranetriol C20H34O3 322.250794 NA MeJP NA NA +MJ033873 3,17,19-Kauranetriol C20H34O3 322.250794 NA MeJP NA NA +MJ033874 3,4-Dihydroxy-13-cleroden-15-al C20H34O3 322.250794 NA MeJP NA NA +MJ033875 3,4-Dimethyl-5-pentyl-2-furannonanoic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033876 3,4-Dimethyl-5-propyl-2-furanundecanoic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033877 3,4-Epoxy-13-clerodene-2,15-diol C20H34O3 322.250794 NA MeJP NA NA +MJ033878 3,4-Seco-2-verrucosene-5,6,8-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033879 3,7,11-Cembratriene-2,15,16-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033880 3,7-Dolabelladiene-2,16,18-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033881 3,9,16-Kauranetriol C20H34O3 322.250794 NA MeJP NA NA +MJ033882 3-Cleroden-15-oic acid, 3?,4?-Epoxide C20H34O3 322.250794 NA MeJP NA NA +MJ033883 3-Clerodene-15,18-diol, 15-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033884 3-Erythroxylene-7,15,16-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033885 3-Hydroxy-5-halimen-15-oic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033886 3-Viscidene-5,16-diol; 16-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033887 4(18),8(19)-Xeniaphylladiene-5,14,15-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033888 4(18)-Cleroden-15-oic acid, 4?,18-Epoxide C20H34O3 322.250794 NA MeJP NA NA +MJ033889 4(18)-Cleroden-15-oic acid, 4?,18-Epoxide C20H34O3 322.250794 NA MeJP NA NA +MJ033890 4(18)-Erythroxylene-11,15,16-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033891 4(18)-Erythroxylene-7,15,16-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033892 4,15,16-Trihydroxy-4,5-seco-5-rosanone, 4-Deoxy, 4,18-didehydro C20H34O3 322.250794 NA MeJP NA NA +MJ033893 4,8(19)-Xeniaphylladiene-14,15-diol; 4?,5?-Epoxide C20H34O3 322.250794 NA MeJP NA NA +MJ033894 4-Hydroxy-13-cleroden-15-oic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033895 4-Hydroxy-6-pentadecyl-2H-pyran-2-one C20H34O3 322.250794 NA MeJP NA NA +MJ033896 5,15,16-Rosanetriol, 15-Ketone C20H34O3 322.250794 NA MeJP NA NA +MJ033897 5,8-Dihydroxy-13-labden-12-one C20H34O3 322.250794 NA MeJP NA NA +MJ033898 5-Halimene-15,18-diol, 15-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033899 5-Halimene-15,18-diol, 18-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033900 5-Rosene-11,15,16-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033901 5-Rosene-15,16,18-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033902 5-Rosene-15,16,19-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033903 5-Tridecyl-1,3-benzenediol; 10'R-Hydroxy, 3-Me ether C20H34O3 322.250794 NA MeJP NA NA +MJ033904 5-Tridecyl-1,3-benzenediol; 11'S-Methoxy C20H34O3 322.250794 NA MeJP NA NA +MJ033905 5-Tridecyl-1,3-benzenediol; 12'S-Methoxy C20H34O3 322.250794 NA MeJP NA NA +MJ033906 5-Tridecyl-1,3-benzenediol; 13'-Hydroxy, 3-Me ether C20H34O3 322.250794 NA MeJP NA NA +MJ033907 5-Tridecyl-1,3-benzenediol; 2'R-Hydroxy, 3-Me ether C20H34O3 322.250794 NA MeJP NA NA +MJ033908 6,16,17-Kauranetriol C20H34O3 322.250794 NA MeJP NA NA +MJ033909 7,11-Epoxy-1,3-cembradiene-8,12-diol C20H34O3 322.250794 NA MeJP NA NA +MJ033910 7,13-Dihydroxy-14-cleroden-2-one C20H34O3 322.250794 NA MeJP NA NA +MJ033911 7,13-Labdadiene-15,16,17-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033912 7,13-Labdadiene-2,3,15-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033913 7,14-Labdadiene-2,13,20-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033914 7,14-Labdadiene-2,3,13-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033915 7,16,17-Kauranetriol C20H34O3 322.250794 NA MeJP NA NA +MJ033916 7,16,18-Kauranetriol C20H34O3 322.250794 NA MeJP NA NA +MJ033917 7,8-Epoxy-2,11-cembradiene-4,6-diol C20H34O3 322.250794 NA MeJP NA NA +MJ033918 7,8-Epoxy-3-dolabellene-9,12-diol C20H34O3 322.250794 NA MeJP NA NA +MJ033919 7-Isopimarene-3,15,16-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033920 7-Isopimarene-9,15,16-triol; 9?-form C20H34O3 322.250794 NA MeJP NA NA +MJ033921 7-Labdene-15,17-diol, 17-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033922 7-Labdene-15,18-dioic acid; 13?-form, 18-Alcohol C20H34O3 322.250794 NA MeJP NA NA +MJ033923 7-Labdene-2,15-diol, 15-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033924 7-Labdene-3,15-diol, 15-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033925 7-Pimarene-2,15,16,18-tetrol, 18-Deoxy C20H34O3 322.250794 NA MeJP NA NA +MJ033926 7-Pimarene-3,15,16-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033927 8(14)-Abietene-7,18-diol, 8?,14?-Epoxide C20H34O3 322.250794 NA MeJP NA NA +MJ033928 8(14)-Pimarene-1,15,16-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033929 8(14)-Pimarene-2,15,16-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033930 8(14)-Pimarene-3,15,16-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033931 8(17),13-Labdadiene-15,16,18-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033932 8(17),13-Labdadiene-3,15,16-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033933 8(17),13-Labdadiene-7,15,19-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033934 8(17)-Labdene-15,18-diol, 18-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033935 8(17)-Labdene-15,18-diol, 15-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033936 8(17)-Labdene-15,18-diol, 18-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033937 8(17)-Labdene-15,18-diol, 15-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033938 8(17)-Labdene-15,18-diol, 18-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033939 8(17)-Labdene-15,19-diol, 19-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033940 8(17)-Labdene-2,15-diol, 15-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033941 8(17)-Labdene-3,15-diol, 15-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033942 8(17)-Labdene-6,15-diol, 15-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033943 8(17)-Labdene-7,15-diol, 15-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033944 8,10,13(15)-Lobatriene-14,17,18-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033945 8,10,13(15)-Lobatriene-16,17,18-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033946 8,11-Epoxy-1,3-cembradiene-7,12-diol C20H34O3 322.250794 NA MeJP NA NA +MJ033947 8,11-Epoxy-2,6-cembradiene-4,12-diol C20H34O3 322.250794 NA MeJP NA NA +MJ033948 8,12-Epoxy-13-labden-1-ol, 11?-Hydroxy C20H34O3 322.250794 NA MeJP NA NA +MJ033949 8,12-Epoxy-13-labden-1-ol, 6?-Hydroxy C20H34O3 322.250794 NA MeJP NA NA +MJ033950 8,12-Epoxy-13-labdene-15,16-diol C20H34O3 322.250794 NA MeJP NA NA +MJ033951 8,13-Epoxy-14-labdene-1,18-diol C20H34O3 322.250794 NA MeJP NA NA +MJ033952 8,13-Epoxy-14-labdene-1,5-diol C20H34O3 322.250794 NA MeJP NA NA +MJ033953 8,13-Epoxy-14-labdene-16,18-diol C20H34O3 322.250794 NA MeJP NA NA +MJ033954 8,13-Epoxy-14-labdene-2,3-diol C20H34O3 322.250794 NA MeJP NA NA +MJ033955 8,13-Epoxy-14-labdene-3,12-diol C20H34O3 322.250794 NA MeJP NA NA +MJ033956 8,13-Epoxy-15-labdanal, 15-Carboxylic acid C20H34O3 322.250794 NA MeJP NA NA +MJ033957 8,13-Epoxy-9(11)-labdene-14,15-diol C20H34O3 322.250794 NA MeJP NA NA +MJ033958 8,13:14,15-Diepoxy-16-labdanol C20H34O3 322.250794 NA MeJP NA NA +MJ033959 8,13:14,15-Diepoxy-3-labdanol C20H34O3 322.250794 NA MeJP NA NA +MJ033960 8,15-Dihydroxy-13-labden-19-al C20H34O3 322.250794 NA MeJP NA NA +MJ033961 8-Daucene-4,6-diol, 6-(2-Methylbutanoyl) C20H34O3 322.250794 NA MeJP NA NA +MJ033962 8-Daucene-4,6-diol, 6-(3-Methylbutanoyl) C20H34O3 322.250794 NA MeJP NA NA +MJ033963 8-Labdene-3,7,15-triol, 7-Ketone C20H34O3 322.250794 NA MeJP NA NA +MJ033964 8-Methylpodopyrone C20H34O3 322.250794 NA MeJP NA NA +MJ033965 8-Pimarene-3,15,16-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033966 9(11),14-Labdadiene-8,13-diol, 8-Hydroperoxide C20H34O3 322.250794 NA MeJP NA NA +MJ033967 9,10-Seco-8,10(20),13-labdatriene-11,15,16-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033968 9,10-Seco-8,10(20),13-labdatriene-3,11,15-triol C20H34O3 322.250794 NA MeJP NA NA +MJ033969 9,13-Epoxy-14-labdene-6,19-diol C20H34O3 322.250794 NA MeJP NA NA +MJ033970 Aplykurodin A C20H34O3 322.250794 NA MeJP NA NA +MJ033971 Cyclooctatin C20H34O3 322.250794 NA MeJP NA NA +MJ033972 Dictyriol C20H34O3 322.250794 NA MeJP NA NA +MJ033973 Gypopinifolone C20H34O3 322.250794 NA MeJP NA NA +MJ033974 Hydratoxeniolone C20H34O3 322.250794 NA MeJP NA NA +MJ033975 Infuscadiol C20H34O3 322.250794 NA MeJP NA NA +MJ033976 Maristeminol C20H34O3 322.250794 NA MeJP NA NA +MJ033977 Mugipolasol C20H34O3 322.250794 NA MeJP NA NA +MJ033978 Pachytriol C20H34O3 322.250794 NA MeJP NA NA +MJ033979 Plakortone D C20H34O3 322.250794 NA MeJP NA NA +MJ033980 Sarcotol C20H34O3 322.250794 NA MeJP NA NA +MJ033981 Secoinfuscadione C20H34O3 322.250794 NA MeJP NA NA +MJ033982 Siphonarienfuranone C20H34O3 322.250794 NA MeJP NA NA +MJ033983 Vinigrol C20H34O3 322.250794 NA MeJP NA NA +C14970 2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol C20H34O3 322.2508 NA KEGG NA NA +C15285 17alpha-Methyl-5alpha-androstane-3beta,11beta,17beta-triol C20H34O3 322.2508 NA KEGG NA NA +MJ033984 18-Methyl-5,9-eicosadienoic acid C21H38O2 322.28718 NA MeJP NA NA +MJ033985 19-Methyl-5,9-eicosadienoic acid C21H38O2 322.28718 NA MeJP NA NA +MJ033986 3,6,9-Heneicosatriene, 6,7:9,10-Diepoxide C21H38O2 322.28718 NA MeJP NA NA +MJ033987 3-Hexadecyl-5-methyl-2(5H)-furanone C21H38O2 322.28718 NA MeJP NA NA +MJ033988 8(17)-Labdene-15,19-diol, 15-Me ether C21H38O2 322.28718 NA MeJP NA NA +MJ033989 8(17)-Labdene-15,19-diol, 19-Me ether C21H38O2 322.28718 NA MeJP NA NA +MJ033990 1-Tricosene C23H46 322.359951 NA MeJP NA NA +MJ033991 3-Tricosene C23H46 322.359951 NA MeJP NA NA +MJ033992 9-Tricosene C23H46 322.359951 NA MeJP NA NA +2721 erythromycin inhibitor MVQLR 322.6757 MH2+ Inhouse_peptide NA peptide +MJ033993 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide; 3,5-Dibromo C8H7Br2NO3 322.879268 NA MeJP NA NA +MJ033994 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid; 3,5-Dibromo, amide C8H7Br2NO3 322.879268 NA MeJP NA NA +MJ033995 2,4-Dibromo-3,6-dihydroxyphenylacetic acid; Amide C8H7Br2NO3 322.879268 NA MeJP NA NA +MJ033996 3,5-Dibromo-1,6-dihydroxy-4-oxo-2-cyclohexene-1-acetonitrile C8H7Br2NO3 322.879268 NA MeJP NA NA +MJ033997 Cavernicolin 1 C8H7Br2NO3 322.879268 NA MeJP NA NA +MJ033998 Penclomedine C8H6Cl5NO2 322.884116 NA MeJP NA NA +MJ033999 2,7-Dibromo-9H-carbazole C12H7Br2N 322.894524 NA MeJP NA NA +MJ034000 3,6-Dibromo-9H-carbazole C12H7Br2N 322.894524 NA MeJP NA NA +MJ034001 Pyrrolomycin C C11H5Cl4NO2 322.907439 NA MeJP NA NA +C00985 p-Mercuribenzoate C7H5HgO2 322.9996 NA KEGG NA NA +MJ034002 Hymenialdisine C11H10BrN5O2 323.001787 NA MeJP NA NA +C14434 EPN C14H14NO4PS 323.0381 NA KEGG NA NA +MJ034003 Keramadine C12H14BrN5O 323.038172 NA MeJP NA NA +C15617 Pirinixic acid C14H14ClN3O2S 323.0495 NA KEGG NA NA +MJ034004 Pirinixic acid C14H14ClN3O2S 323.049525 NA MeJP NA NA +HMDB00095 Cytidine monophosphate C9H14N3O8P 323.051849 NA HMDB2010 NA NA +HMDB11692 Cytidine 2'-phosphate C9H14N3O8P 323.051849 NA HMDB2010 NA NA +HMDB00095 Cytidine monophosphate C9H14N3O8P 323.05185 http://www.hmdb.ca/metabolites/HMDB00095 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00095 Cytidine monophosphate C9H14N3O8P 323.05185 http://www.hmdb.ca/metabolites/HMDB00095 HMDB NA NA +MJ034005 Cytidine 2'-(dihydrogen phosphate) C9H14N3O8P 323.05185 NA MeJP NA NA +MJ034006 Cytidine 3'-(dihydrogen phosphate) C9H14N3O8P 323.05185 NA MeJP NA NA +MJ034007 Cytidine 5'-(dihydrogen phosphate) C9H14N3O8P 323.05185 NA MeJP NA NA +HMDB00095 Cytidine monophosphate C9H14N3O8P 323.05185 http://www.hmdb.ca/metabolites/HMDB00095 PFEM_hmdb_metabocards_blood NA blood +HMDB00095 Cytidine monophosphate C9H14N3O8P 323.05185 HMDB00095 PFEM_hmdb_metabocards_official NA NA +MJ034008 3'-CMP C9H14N3O8P 323.051851 NA MeJP NA NA +MJ034009 CMP C9H14N3O8P 323.051851 NA MeJP NA NA +MetaCyc02848 CMP [5'-cytidylic acid;cytidine-5'-monophosphate;cytidylate;cytidylic acid;C;cytidine-P;cytidine-monophosphate;cytidine-phosphate;cytidine-5'-phosphate;] C9H14N3O8P1 323.051851 63-37-6 metacyc NA NA +MetaCyc02849 cytidine-3'-monophosphate [3'-cmp;cytidine 3'-phosphate;3'-cytidylic acid;] C9H14N3O8P1 323.051851 84-52-6 metacyc NA NA +MetaCyc02850 cytidine 2'-monophosphate [2'-cytidylic acid;cytidine 2'-phosphate;] C9H14N3O8P1 323.051851 85-94-9 metacyc NA NA +C00055 CMP C9H14N3O8P 323.0519 NA KEGG NA NA +C03104 Cytidine 2'-phosphate C9H14N3O8P 323.0519 NA KEGG NA NA +C03105 Cytochrome c L-lysine C7H13N3O2R2 323.0519 NA KEGG NA NA +C03106 D-Galactosaminoglycan C7H13N3O2R2 323.0519 NA KEGG NA NA +C05822 3'-CMP C9H14N3O8P 323.0519 NA KEGG NA NA +MJ034010 Endixaprine C15H15Cl2N3O 323.059217 NA MeJP NA NA +MJ034011 Tambjamine A; 3'-Bromo, 1''-N-(2-methylpropyl) C14H18BrN3O 323.063324 NA MeJP NA NA +MJ034012 Tambjamine A; 5'-Bromo, 1''-N-(2-methylpropyl) C14H18BrN3O 323.063324 NA MeJP NA NA +C10959 Thenylchlor C16H18ClNO2S 323.0747 NA KEGG NA NA +PJ000305 SCD C10H17N3O7S 323.0787 NA PeJP NA NA +MJ034013 1,2,10-Trihydroxy-4H-dibenzo[de,g]quinoline-4,5(6H)-dione; 1,10-Di-Me ether C18H13NO5 323.079372 NA MeJP NA NA +MJ034014 1,2,6,7-Tetrahydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Methylene, 6,7-di-Me ether C18H13NO5 323.079372 NA MeJP NA NA +MJ034015 1,2,7,9-Tetrahydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Methylene, 7,9-di-Me ether C18H13NO5 323.079372 NA MeJP NA NA +MJ034016 Decumbenine B C18H13NO5 323.079372 NA MeJP NA NA +MJ034017 Fissilandione; N-De-Me C18H13NO5 323.079372 NA MeJP NA NA +MJ034018 Oxocularine; O6-De-Me C18H13NO5 323.079372 NA MeJP NA NA +MJ034019 Oxosarcophylline C18H13NO5 323.079372 NA MeJP NA NA +MJ034020 Sarcocapnidine; ?-Oxo, 1,2,3,4-tetradehydro, N-de-Me C18H13NO5 323.079372 NA MeJP NA NA +MJ034021 Stealthin A C18H13NO5 323.079372 NA MeJP NA NA +MJ034022 Tryptathionine C14H17N3O4S 323.093976 NA MeJP NA NA +PJ000306 ACM C11H21N3O4S2 323.0974 NA PeJP NA NA +MJ034023 Glutamic acid, N-(3-Hydroxy-4-methoxycinnamoyl)(E-) C15H17NO7 323.100501 NA MeJP NA NA +MJ034024 Glutamic acid, N-(3-Hydroxy-4-methoxycinnamoyl)(Z-) C15H17NO7 323.100501 NA MeJP NA NA +MJ034025 Entadamide A, O-?-D-Glucopyranoside C12H21NO7S 323.103872 NA MeJP NA NA +PJ000307 SSM C11H21N3O6S 323.1151 NA PeJP NA NA +MJ034026 6,7,12b,13e-Tetrahydro-4H-bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizine C19H17NO4 323.115758 NA MeJP NA NA +MJ034027 Anolobine, Me ether, N-formyl C19H17NO4 323.115758 NA MeJP NA NA +MJ034028 Anolobine, N-Ac C19H17NO4 323.115758 NA MeJP NA NA +MJ034029 Anonaine, N-Methoxycarbonyl C19H17NO4 323.115758 NA MeJP NA NA +MJ034030 Atalaphyllidine; N-Me C19H17NO4 323.115758 NA MeJP NA NA +MJ034031 Crebanine, 6a,7-Didehydro, O9-de-Me C19H17NO4 323.115758 NA MeJP NA NA +MJ034032 Eschscholtzine C19H17NO4 323.115758 NA MeJP NA NA +MJ034033 Furofoline II C19H17NO4 323.115758 NA MeJP NA NA +MJ034034 Guattescidine; O9-Me C19H17NO4 323.115758 NA MeJP NA NA +MJ034035 Junosidine; O-De-Me C19H17NO4 323.115758 NA MeJP NA NA +MJ034036 Menisporphine; 2,3-Dihydro C19H17NO4 323.115758 NA MeJP NA NA +MJ034037 N-Desmethyl-1,2-dihydro-1-hydroxyacronycine; 1-Ketone C19H17NO4 323.115758 NA MeJP NA NA +MJ034038 Neolitsine C19H17NO4 323.115758 NA MeJP NA NA +MJ034039 Norrufescine; Me ether C19H17NO4 323.115758 NA MeJP NA NA +MJ034040 Obovanine; Me ether, N-formyl C19H17NO4 323.115758 NA MeJP NA NA +MJ034041 Ovigerine, N-Me C19H17NO4 323.115758 NA MeJP NA NA +MJ034042 Phanostenine, 6a,7-Didehydro C19H17NO4 323.115758 NA MeJP NA NA +MJ034043 Reframidine C19H17NO4 323.115758 NA MeJP NA NA +MJ034044 Rutacridone; 1',2'-Epoxide C19H17NO4 323.115758 NA MeJP NA NA +MJ034045 Rutacridone; 3'-Hydroxy C19H17NO4 323.115758 NA MeJP NA NA +MJ034046 Stylopine C19H17NO4 323.115758 NA MeJP NA NA +MJ034047 Thalphenine, Di-N-de-Me C19H17NO4 323.115758 NA MeJP NA NA +MJ034048 6,7-Dimethoxy-2-methyl-1-(3,4-methylenedioxyphenyl)isoquinolinium(1+) C19H18NO4(+) 323.115758 NA MeJP NA NA +MJ034049 Dehydrodiscretamine C19H18NO4(+) 323.115758 NA MeJP NA NA +MJ034050 Dehydroscoulerine C19H18NO4(+) 323.115758 NA MeJP NA NA +MJ034051 Demethyleneberberine C19H18NO4(+) 323.115758 NA MeJP NA NA +MJ034052 Gandharamine C19H18NO4(+) 323.115758 NA MeJP NA NA +MJ034053 Isosevanine; O-De-Me, O3',N-di-Me C19H18NO4(+) 323.115758 NA MeJP NA NA +MJ034054 Stepharanine C19H18NO4(+) 323.115758 NA MeJP NA NA +MetaCyc02851 S-stylopine [stylopine;6, 7, 12b, 13e-tetrahydro-4H-bis [1, 3]benzodioxolo[5, 6-a:4' , 5' -g] quinolizine;] C19H17N1O4 323.115758 84-39-9 metacyc NA NA +C05175 6,7,12b,13e-Tetrahydro-4H-bis[1,3]benzodioxolo[5,6-a:4',5'- C19H17NO4 323.1158 NA KEGG NA NA +C10739 Rutacridone epoxide C19H17NO4 323.1158 NA KEGG NA NA +MJ034055 Risarestat C16H21NO4S 323.119128 NA MeJP NA NA +MJ034056 S-Glutaryldihydrolipoamide C13H25NO4S2 323.122499 NA MeJP NA NA +MJ034057 Pyroglutamylhistidylglycine; L-L-form C13H17N5O5 323.122968 NA MeJP NA NA +MetaCyc02852 propionyl adenylate [] C13H17N5O5 323.122969 NA metacyc NA NA +C06457 Bialaphos C11H22N3O6P 323.1246 NA KEGG NA NA +MJ034058 Cryptoechinulin C C18H17N3O3 323.126991 NA MeJP NA NA +MJ034059 Salicylamidophenazone C18H17N3O3 323.126991 NA MeJP NA NA +MJ034060 Gliclazide C15H21N3O3S 323.130362 NA MeJP NA NA +7881 peptide from myofibrillar protein, pork muscles IEAEGE 323.134 MH2+ Inhouse_peptide NA peptide +MJ034061 Tolciclate C20H21NOS 323.134384 NA MeJP NA NA +30 Myofibrillar IEAEGE 323.135 MH2+ Inhouse_peptide NA peptide +MJ034062 3-(2-Hydroxyethyl)indole; O-?-D-Galactopyranoside C16H21NO6 323.136887 NA MeJP NA NA +MJ034063 3-(2-Hydroxyethyl)indole; O-?-D-Glucopyranoside C16H21NO6 323.136887 NA MeJP NA NA +MJ034064 Acremoauxin A C16H21NO6 323.136887 NA MeJP NA NA +MJ034065 Dicrotaline; Ac C16H21NO6 323.136887 NA MeJP NA NA +C08468 Acremoauxin A C16H21NO6 323.1369 NA KEGG NA NA +MJ034066 4-Amino-5-chloro-N-[(hexahydro-1H-pyrrolizin-1-yl)methyl]-2-methoxybenzamide C16H22ClN3O2 323.140054 NA MeJP NA NA +MJ034067 Renzapride C16H22ClN3O2 323.140054 NA MeJP NA NA +MJ034068 Zacopride, N4-Me C16H22ClN3O2 323.140054 NA MeJP NA NA +C08072 Naftifine hydrochloride C21H21N 323.1441 NA KEGG NA NA +MJ034069 Cyamemazine C19H21N3S 323.145618 NA MeJP NA NA +MJ034070 Metiapine C19H21N3S 323.145618 NA MeJP NA NA +8022 synthetic peptide PHA 323.147 antibacterial Inhouse_peptide NA peptide +PJ000308 AAY C15H21N3O5 323.1481 NA PeJP NA NA +C10683 Galipine C20H21NO3 323.1521 NA KEGG NA NA +MJ034071 1-Hydroxy-3-methoxy-2-(3-methyl-2-butenyl)-10-methylacridone C20H21NO3 323.152143 NA MeJP NA NA +MJ034072 4-(5-Phenylpentyl)-1H-indole-2,3-dione; 7-Methoxy C20H21NO3 323.152143 NA MeJP NA NA +MJ034073 Clausine D; Carboxylic acid, Me ether, Me ester C20H21NO3 323.152143 NA MeJP NA NA +MJ034074 Dimefline C20H21NO3 323.152143 NA MeJP NA NA +MJ034075 Galipoline; Me ether C20H21NO3 323.152143 NA MeJP NA NA +MJ034076 Glycocitrine II; O3-Me C20H21NO3 323.152143 NA MeJP NA NA +MJ034077 Isothebaine, 6a,7-Didehydro, Me ether C20H21NO3 323.152143 NA MeJP NA NA +MJ034078 Isouvariopsine C20H21NO3 323.152143 NA MeJP NA NA +MJ034079 Koenigine; Me ether C20H21NO3 323.152143 NA MeJP NA NA +MJ034080 Mepixanox C20H21NO3 323.152143 NA MeJP NA NA +MJ034081 Mukonicine C20H21NO3 323.152143 NA MeJP NA NA +MJ034082 Nuciferine, N-De-Me, N-Ac C20H21NO3 323.152143 NA MeJP NA NA +MJ034083 Uvariopsine C20H21NO3 323.152143 NA MeJP NA NA +MJ034084 7-[[2-(Mercaptomethyl)-1-oxo-3-phenylpropyl]amino]heptanoic acid C17H25NO3S 323.155514 NA MeJP NA NA +PJ000309 APH C14H21N5O4 323.1594 NA PeJP NA NA +MJ034085 Isonaamine B C19H21N3O2 323.163376 NA MeJP NA NA +MJ034086 Naamidine D C19H21N3O2 323.163376 NA MeJP NA NA +MJ034087 Naamine A C19H21N3O2 323.163376 NA MeJP NA NA +MJ034088 Neoechinulin A C19H21N3O2 323.163376 NA MeJP NA NA +MJ034089 Pranolium(1+); Chloride C18H26ClNO2 323.165206 NA MeJP NA NA +MJ034090 Antibiotic NK 1012-2 C12H25N3O7 323.16925 NA MeJP NA NA +MJ034091 Kanamine C12H25N3O7 323.16925 NA MeJP NA NA +MJ034092 Paromamine C12H25N3O7 323.16925 NA MeJP NA NA +C01743 Paromamine C12H25N3O7 323.1693 NA KEGG NA NA +MJ034093 9-Methylstreptimidone; 5-Hydroxy C17H25NO5 323.173272 NA MeJP NA NA +MJ034094 9-Methylstreptimidone; 8,9-Epoxide C17H25NO5 323.173272 NA MeJP NA NA +MJ034095 Cronaburmine C17H25NO5 323.173272 NA MeJP NA NA +MJ034096 Crotananine C17H25NO5 323.173272 NA MeJP NA NA +MJ034097 Parthenolidine; 8?-Hydroxy, N-Ac C17H25NO5 323.173272 NA MeJP NA NA +CJneg0525 Octanoylcarnitine [(M+Cl)]- C15H29ClNO4 323.186925 C18rt(min)=7.86 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0525 Octanoylcarnitine [(M+Cl)]- C15H29ClNO4 323.186925 C18rt(min)=7.86 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ034098 3-(2-Phenylethyl)-?-[(propylamino)methyl]-2-benzofuranmethanol C21H25NO2 323.188529 NA MeJP NA NA +MJ034099 Carbazoquinocin; Carbazoquinocin D C21H25NO2 323.188529 NA MeJP NA NA +MJ034100 Carbazoquinocin; Carbazoquinocin E C21H25NO2 323.188529 NA MeJP NA NA +MJ034101 Cinnamaverine C21H25NO2 323.188529 NA MeJP NA NA +MJ034102 Myfadol C21H25NO2 323.188529 NA MeJP NA NA +MJ034103 Piperidolate C21H25NO2 323.188529 NA MeJP NA NA +MJ034104 Atherosperminine; N-Me C21H26NO2(+) 323.188529 NA MeJP NA NA +EUR483 Leukotriene E4 F5 F5 323.189525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR483 Leukotriene E4 F5 NA 323.189525 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR483 Leukotriene E4 F5 F5 323.189525 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR483 Leukotriene E4 F5 NA 323.189525 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR483 Leukotriene E4 F5 F5 323.189525 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR483 Leukotriene E4 F5 NA 323.189525 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR483 Leukotriene E4 F5 F5 323.189525 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR483 Leukotriene E4 F5 F5 323.189525 standards wishlist analysés sur QTOF HMDB NA NA +EUR483 Leukotriene E4 F5 F5 323.189525 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR483 Leukotriene E4 F5 NA 323.189525 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR483 Leukotriene E4 F5 F5 323.189525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR483 Leukotriene E4 F5 F5 323.189525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ034105 Rociclovir C15H25N5O3 323.195739 NA MeJP NA NA +MJ034106 Lysergide C20H25N3O 323.199762 NA MeJP NA NA +MJ034107 Octrizole C20H25N3O 323.199762 NA MeJP NA NA +MJ034108 Prodigiosin C20H25N3O 323.199762 NA MeJP NA NA +C07542 Lysergic acid diethylamide C20H25N3O 323.1998 NA KEGG NA NA +MJ034109 Cylindricine K C19H30ClNO 323.201592 NA MeJP NA NA +MJ034110 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Tigloyl, 6-O-(2-methylbutanoyl) C18H29NO4 323.209658 NA MeJP NA NA +MJ034111 Bufetolol C18H29NO4 323.209658 NA MeJP NA NA +MJ034112 Cicloprolol C18H29NO4 323.209658 NA MeJP NA NA +MJ034113 Guaiapate C18H29NO4 323.209658 NA MeJP NA NA +MJ034114 Iproxamine C18H29NO4 323.209658 NA MeJP NA NA +MJ034115 Lycofawcine C18H29NO4 323.209658 NA MeJP NA NA +MJ034116 N-Jasmonoylisoleucine C18H29NO4 323.209658 NA MeJP NA NA +C09878 Lycofawcine C18H29NO4 323.2097 NA KEGG NA NA +MJ034117 Stravidin S3 C17H29N3O3 323.220891 NA MeJP NA NA +MJ034118 Holadienine; 14,15-Didehydro C22H29NO 323.224914 NA MeJP NA NA +MJ034119 18-Isothiocyanato-17-octadecenal C19H33NOS 323.228285 NA MeJP NA NA +MJ034120 Melochinine C19H33NO3 323.246043 NA MeJP NA NA +MJ034121 Melophlin B C19H33NO3 323.246043 NA MeJP NA NA +MJ034122 Pumiliotoxin A, 7'S-Hydroxy C19H33NO3 323.246043 NA MeJP NA NA +MJ034123 Pumiliotoxin A, 7?-Hydroxy C19H33NO3 323.246043 NA MeJP NA NA +MJ034124 2-Aminoethanol; N-(9Z,12Z-Octadecadienoyl) C20H37NO2 323.282429 NA MeJP NA NA +HMDB12252 Linoleoyl ethanolamide C20H37NO2 323.28244 NA HMDB2010 NA NA +MJ034125 Pyrrolidine; N-(14?-Methylhexadecanoyl) C21H41NO 323.318814 NA MeJP NA NA +MJ034126 Motuporamine C C20H41N3 323.330048 NA MeJP NA NA +MJ034127 2,3-Diiodo-2-propenoic acid C3H2I2O2 323.814416 NA MeJP NA NA +MJ034128 3,3-Diiodo-2-propenoic acid C3H2I2O2 323.814416 NA MeJP NA NA +MJ034129 2,6-Dibromo-3,5-dihydroxybenzeneacetic acid C8H6Br2O4 323.863283 NA MeJP NA NA +MJ034130 2,6-Dibromo-3,5-dimethoxy-1,4-benzoquinone C8H6Br2O4 323.863283 NA MeJP NA NA +C14365 2,3,3',4,5-Pentachlorobiphenyl C12H5Cl5 323.8834 NA KEGG NA NA +C14366 2,3,4,5,6-Pentachlorobiphenyl C12H5Cl5 323.8834 NA KEGG NA NA +C14573 3,3',4,4',5-Pentachlorobiphenyl C12H5Cl5 323.8834 NA KEGG NA NA +C18116 2,3,4,3',4'-Pentachlorobiphenyl C12H5Cl5 323.8834 NA KEGG NA NA +C18117 2,3,4,4',5-Pentachlorobiphenyl C12H5Cl5 323.8834 NA KEGG NA NA +C18118 2,3',4,4',5-Pentachlorobiphenyl C12H5Cl5 323.8834 NA KEGG NA NA +C18119 2,3',4,4',5'-Pentachlorobiphenyl C12H5Cl5 323.8834 NA KEGG NA NA +MJ034131 2,4-Dibromo-1,3,5-benzenetriol; Tri-Me ether C9H10Br2O3 323.899669 NA MeJP NA NA +MJ034132 3,4-Dibromo-5-hydroxymethyl-1,2-benzenediol; 1,2-Di-Me ether C9H10Br2O3 323.899669 NA MeJP NA NA +MJ034133 4-Bromo-3-(1-hydroxybutyl)-5-(iodomethylene)-2(5H)-furanone, 1'-Deiodo, 1'-bromo C9H10Br2O3 323.899669 NA MeJP NA NA +C14869 Trichloroethanol glucuronide C8H11Cl3O7 323.957 NA KEGG NA NA +MJ034134 Axinohydantoin C11H9BrN4O3 323.985802 NA MeJP NA NA +MJ034135 5,7-Dichloro-2,8-dihydroxy-1,3-dimethylxanthone C15H10Cl2O4 323.995614 NA MeJP NA NA +HMDB01058 Fructose 1,6-bisphosphate C6H14O11P2 324.001129 NA HMDB2010 NA NA +HMDB01058 Fructose 1,6-bisphosphate C6H14O11P2 324.00113 http://www.hmdb.ca/metabolites/HMDB01058 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01058 Fructose 1,6-bisphosphate C6H14O11P2 324.00113 http://www.hmdb.ca/metabolites/HMDB01058 HMDB NA NA +HMDB01058 Fructose 1,6-bisphosphate C6H14O11P2 324.00113 http://www.hmdb.ca/metabolites/HMDB01058 PFEM_hmdb_metabocards_blood NA blood +HMDB01058 Fructose 1,6-bisphosphate C6H14O11P2 324.00113 HMDB01058 PFEM_hmdb_metabocards_official NA NA +MJ034136 Dehydrogliotoxin C13H12N2O4S2 324.023848 NA MeJP NA NA +C01269 5-O-(1-Carboxyvinyl)-3-phosphoshikimate C10H13O10P 324.0246 NA KEGG NA NA +MJ034137 5-O-(1-Carboxyvinyl)-3-phosphoshikimate C10H13O10P 324.024633 NA MeJP NA NA +MetaCyc02853 5-enolpyruvyl-shikimate-3-phosphate [EPSP;3-enolpyruvyl-shikimate-5-phosphate;3-enolpyruvyl-shikimate-5-P;5-O-(1-carboxyvinyl)-3-phosphoshikimate;] C10H13O10P1 324.024633 NA metacyc NA NA +C06969 Dorzolamide C10H16N2O4S3 324.0272 NA KEGG NA NA +MJ034138 Dorzolamide C10H16N2O4S3 324.027219 NA MeJP NA NA +MJ034139 Dulofibrate C16H14Cl2O3 324.031999 NA MeJP NA NA +C14574 Chlorobenzilate C16H14Cl2O3 324.032 NA KEGG NA NA +HMDB00288 Uridine 5'-monophosphate C9H13N2O9P 324.035858 NA HMDB2010 NA NA +HMDB01271 Pseudouridine 5'-phosphate C9H13N2O9P 324.035858 NA HMDB2010 NA NA +HMDB11641 Uridine 2'-phosphate C9H13N2O9P 324.035858 NA HMDB2010 NA NA +HMDB00288 Uridine 5'-monophosphate C9H13N2O9P 324.03586 http://www.hmdb.ca/metabolites/HMDB00288 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00288 Uridine 5'-monophosphate C9H13N2O9P 324.03586 http://www.hmdb.ca/metabolites/HMDB00288 HMDB NA NA +HMDB01271 Pseudouridine 5'-phosphate C9H13N2O9P 324.03586 http://www.hmdb.ca/metabolites/HMDB01271 HMDB NA NA +HMDB00288 Uridine 5'-monophosphate C9H13N2O9P 324.03586 http://www.hmdb.ca/metabolites/HMDB00288 PFEM_hmdb_metabocards_blood NA blood +HMDB00288 Uridine 5'-monophosphate C9H13N2O9P 324.03586 HMDB00288 PFEM_hmdb_metabocards_official NA NA +HMDB01271 Pseudouridine 5'-phosphate C9H13N2O9P 324.03586 HMDB01271 PFEM_hmdb_metabocards_official NA NA +MJ034140 3'-UMP C9H13N2O9P 324.035866 NA MeJP NA NA +MJ034141 Pseudouridine 5'-phosphate C9H13N2O9P 324.035866 NA MeJP NA NA +MJ034142 UMP C9H13N2O9P 324.035866 NA MeJP NA NA +MJ034143 5'-Uridylic acid C9H13N2O9P 324.035866 NA MeJP NA NA +MJ034144 Pseudouridine C; 5'-Phosphate C9H13N2O9P 324.035866 NA MeJP NA NA +MetaCyc02854 pseudouridine 5'-phosphate [] C9H13N2O9P1 324.035867 1157-60-4 metacyc NA NA +MetaCyc02855 UMP [uridylate;5'-UMP;U;uridine-5'-monophosphate;5'-uridylic acid (8CI)(9CI);uridine-monophosphate;uridine-5'-phosphate;uridine-phosphate;] C9H13N2O9P1 324.035867 58-97-9 metacyc NA NA +MetaCyc02856 uridine 3'-monophosphate [3'-UMP;] C9H13N2O9P1 324.035867 35170-03-7 metacyc NA NA +MetaCyc02857 uridine 2'-monophosphate [2'-UMP;] C9H13N2O9P1 324.035867 NA metacyc NA NA +C00105 UMP C9H13N2O9P 324.0359 NA KEGG NA NA +C01168 Pseudouridine 5'-phosphate C9H13N2O9P 324.0359 NA KEGG NA NA +C01368 3'-UMP C9H13N2O9P 324.0359 NA KEGG NA NA +C01370 Aldose C2H3O2R 324.0359 NA KEGG NA NA +C01371 Alkane HR 324.0359 NA KEGG NA NA +C01372 Alkene C2H2R2 324.0359 NA KEGG NA NA +C01373 Cation C2H2R2 324.0359 NA KEGG NA NA +C03031 Uridine 2'-phosphate C9H13N2O9P 324.0359 NA KEGG NA NA +MJ034145 3,3',4',5,7-Pentahydroxyflavan, 6-Chloro C15H13ClO6 324.040065 NA MeJP NA NA +MJ034146 Hypaphorine, 6-Bromo C14H17BrN2O2 324.04734 NA MeJP NA NA +MetaCyc02858 sinapoyltartronate [2-sinapoyltartronate;] C14H12O9 324.048132 NA metacyc NA NA +C12037 Pyochelin C14H16N2O3S2 324.0602 NA KEGG NA NA +MJ034147 Hyalodendrin C14H16N2O3S2 324.060233 NA MeJP NA NA +MJ034148 Pyochelin I C14H16N2O3S2 324.060233 NA MeJP NA NA +FLIDHXNF0001 Neobanol C18H12O6 324.06338 61419-04-3 knapsack NA NA +MJ034149 2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)benzoquinone C18H12O6 324.063388 NA MeJP NA NA +MJ034150 3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide C18H12O6 324.063388 NA MeJP NA NA +MJ034151 Grevilline A C18H12O6 324.063388 NA MeJP NA NA +MJ034152 Neobanol C18H12O6 324.063388 NA MeJP NA NA +MJ034153 Sterigmatocystin C18H12O6 324.063388 NA MeJP NA NA +MJ034154 Versicolorin A, 2,3-Dihydro, 6-deoxy C18H12O6 324.063388 NA MeJP NA NA +MetaCyc02859 sterigmatocystin [] C18H12O6 324.063388 10048-13-2 metacyc NA NA +C00961 Sterigmatocystin C18H12O6 324.0634 NA KEGG NA NA +MJ034155 Cacoxanthene; 6-Bromo, 7-hydroxy C16H21BrO2 324.072492 NA MeJP NA NA +MJ034156 Cymopol C16H21BrO2 324.072492 NA MeJP NA NA +MJ034157 Curvularin, 10,11-Didehydro, 7-chloro C16H17ClO5 324.076451 NA MeJP NA NA +MJ034158 Asparenomycin C C14H16N2O5S 324.077992 NA MeJP NA NA +MJ034159 Bromadoline C15H21BrN2O 324.083725 NA MeJP NA NA +MJ034160 4-Hydroxy-2H-1-benzopyran-2-one; 2-Oxo-form, O-?-D-Glucopyranoside C15H16O8 324.084517 NA MeJP NA NA +MJ034161 5-Hydroxy-2H-1-benzopyran-2-one; 5-O-?-D-Glucopyranoside C15H16O8 324.084517 NA MeJP NA NA +MJ034162 7-Hydroxy-2H-1-benzopyran-2-one; O-?-D-Glucopyranoside C15H16O8 324.084517 NA MeJP NA NA +MJ034163 Fusarubin; 4a,10a-Dihydro, 10a-hydroxy C15H16O8 324.084517 NA MeJP NA NA +MJ034164 Leucodrin C15H16O8 324.084517 NA MeJP NA NA +MJ034165 Lomazarin C15H16O8 324.084517 NA MeJP NA NA +MJ034166 Plagiogyrin B C15H16O8 324.084517 NA MeJP NA NA +MJ034167 Venusol C15H16O8 324.084517 NA MeJP NA NA +MJ034168 Vorozole C16H13ClN6 324.089022 NA MeJP NA NA +MJ034169 Portulacaxanthin I C14H16N2O7 324.09575 NA MeJP NA NA +C08564 Portulacaxanthin I C14H16N2O7 324.0958 NA KEGG NA NA +FL2FE9NF0001 5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone C19H16O5 324.09977 179003-88-4 knapsack NA NA +FLIB1LNF0001 Neoraunone C19H16O5 324.09977 76165-16-7 knapsack NA NA +FLID1CNF0002 Ambonane C19H16O5 324.09977 76165-15-6 knapsack NA NA +MJ034170 2,3-Dihydro-3,5,6-trimethoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one, 3-Demethoxy C19H16O5 324.099773 NA MeJP NA NA +MJ034171 2-Methoxy-8-(3,4-dimethoxyphenyl)-1,4-naphthoquinone C19H16O5 324.099773 NA MeJP NA NA +MJ034172 3',4'-Deoxypsorospermin C19H16O5 324.099773 NA MeJP NA NA +MJ034173 4,7-Dihydroxy-5-[2-(4-hydroxyphenyl)ethenyl]-2H-1-benzopyran-2-one, 4,7-Di-Me ether C19H16O5 324.099773 NA MeJP NA NA +MJ034174 5,6-Dimethoxy-2-methyl-3-(3,4-methylenedioxyphenyl)indenone C19H16O5 324.099773 NA MeJP NA NA +MJ034175 9,10-Dihydro-9-hydroxy-9-methyl-5-(2-oxopropyl)-11H-naphtho[2,1-b:4,5-b'c']dipyran-11-one C19H16O5 324.099773 NA MeJP NA NA +MJ034176 Efloxate C19H16O5 324.099773 NA MeJP NA NA +MJ034177 Isocromil C19H16O5 324.099773 NA MeJP NA NA +MJ034178 Kanglemycin C; 6a,12a-Didehydro C19H16O5 324.099773 NA MeJP NA NA +MJ034179 Moracin K C19H16O5 324.099773 NA MeJP NA NA +MJ034180 Moracin L C19H16O5 324.099773 NA MeJP NA NA +MJ034181 Murayaquinone C19H16O5 324.099773 NA MeJP NA NA +MJ034182 Neodunol; Me ether, 10-methoxy C19H16O5 324.099773 NA MeJP NA NA +MJ034183 Nepseudin; 3'-Demethoxy C19H16O5 324.099773 NA MeJP NA NA +MJ034184 Ovalitenin C; 2'',3''-Dihydro C19H16O5 324.099773 NA MeJP NA NA +MJ034185 Viridin; 3?-Alcohol, 2-demethoxy C19H16O5 324.099773 NA MeJP NA NA +C07366 Prazepam C19H17ClN2O 324.1029 NA KEGG NA NA +MJ034186 Prazepam C19H17ClN2O 324.10294 NA MeJP NA NA +C04333 Bis-D-fructose 2',1:2,1'-dianhydride C12H20O10 324.1056 NA KEGG NA NA +C04334 Citrate (pro-3S)-lyase (acetyl form) C2H3OSR 324.1056 NA KEGG NA NA +C04420 D-Fructofuranose 1,2':2,3'-dianhydride C12H20O10 324.1056 NA KEGG NA NA +MJ034187 Agarobiose C12H20O10 324.105646 NA MeJP NA NA +MJ034188 Carrabiose C12H20O10 324.105646 NA MeJP NA NA +MJ034189 Neoagarobiose C12H20O10 324.105646 NA MeJP NA NA +MetaCyc02860 α-D-fructofuranose β-D-fructofuranose 1,2':1,2'-dianhydride [DFA I;] C12H20O10 324.105647 NA metacyc NA NA +MJ034190 Furaltadone C13H16N4O6 324.106984 NA MeJP NA NA +MJ034191 Sangivamycic acid; Me ester C13H16N4O6 324.106984 NA MeJP NA NA +MJ034192 Niometacin C18H16N2O4 324.111007 NA MeJP NA NA +MJ034193 Acetohexamide C15H20N2O4S 324.114377 NA MeJP NA NA +MJ034194 Sumacetamol C15H20N2O4S 324.114377 NA MeJP NA NA +C06806 Acetohexamide C15H20N2O4S 324.1144 NA KEGG NA NA +C13778 HMR1556 C15H20N2O4S 324.1144 NA KEGG NA NA +C13820 Chromanol 293B C15H20N2O4S 324.1144 NA KEGG NA NA +MJ034195 Archaeosine C12H16N6O5 324.118217 NA MeJP NA NA +MJ034196 1,7,8,9-Tetrahydro-1,9-dihydroxy-4-methoxy-5-methyl-8-(1-methylethenyl)-3H-furo[3,4-f][1]benzopyran-3-one, 1',2'-Dihydro, 1'-hydroxy C16H20O7 324.120902 NA MeJP NA NA +MJ034197 5,6,7,8-Tetrahydro-6-hydroxy-2-naphthalenecarboxylic acid, O-?-D-Xylopyranoside C16H20O7 324.120902 NA MeJP NA NA +MJ034198 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 7-O-(2,3-Dihydroxy-3-methylbutyl), 5,6-di-Me ether C16H20O7 324.120902 NA MeJP NA NA +MJ034199 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7,8-Di-Me ether, 5-O-(2,3-dihydroxy-3-methylbutyl) C16H20O7 324.120902 NA MeJP NA NA +MJ034200 6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-O-(2,3-Dihydroxy-3-methylbutyl), 6,8-di-Me ether C16H20O7 324.120902 NA MeJP NA NA +MJ034201 Cornexistin; 14-Hydroxy C16H20O7 324.120902 NA MeJP NA NA +MJ034202 Curvularin, 11,12-Dihydroxy C16H20O7 324.120902 NA MeJP NA NA +MJ034203 Olguine; 5-Deacetoxy, 5'-epimer C16H20O7 324.120902 NA MeJP NA NA +MJ034204 Rhamnose; ?-L-Pyranose-form, 4-O-(4-Methoxycinnamoyl)(E-) C16H20O7 324.120902 NA MeJP NA NA +HMDB11675 DHAP(10:0) C13H25O7P 324.133789 NA HMDB2010 NA NA +FL1C19NF0004 Flemistrictin E C20H20O4 324.13615 84435-29-0 knapsack NA NA +FL1C19NF0005 Flemistrictin B C20H20O4 324.13615 61235-35-6 knapsack NA NA +FL1C19NP0001 Flemistrictin F C20H20O4 324.13615 84435-28-9 knapsack NA NA +FL1C19NP0003 Flemistrictin C C20H20O4 324.13615 61235-36-7 knapsack NA NA +FL1C1ANI0002 Isobavachalcone;Corylifolinin;2',4,4'-Trihydroxy-3'-(3-methyl-2-butenyl)chalcone C20H20O4 324.13615 20784-50-3 knapsack NA NA +FL1C1ANI0007 4-Hydroxycordoin C20H20O4 324.13615 55524-25-9 knapsack NA NA +FL1C1ANI0008 Broussochalcone B C20H20O4 324.13615 28448-85-3 knapsack NA NA +FL1C1ANI0031 Licoagrochalcone A;3-Prenyl-4,2',4'-trihydroxychalcone C20H20O4 324.13615 202815-28-9 knapsack NA NA +FL1C1ANP0014 Dorsmanin A;5-Prenyl-6'',6''-Dimethyl-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone C20H20O4 324.13615 162229-27-8 knapsack NA NA +FL1C9ANP0001 Crotmadine C20H20O4 324.13615 92662-86-7 knapsack NA NA +FL1CA9NI0001 Desmethylisoxanthohumol C20H20O4 324.13615 72247-78-0 knapsack NA NA +FL1CA9NI0005 2',6'-Dihydroxy-4'-prenyloxychalcone C20H20O4 324.13615 83905-72-0 knapsack NA NA +FL1DA9NR0003 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone C20H20O4 324.13615 70056-37-0 knapsack NA NA +FL2F1ANI0003 Isobavachin C20H20O4 324.13615 31524-62-6 knapsack NA NA +FL2F1ANI0004 Abyssinone II C20H20O4 324.13615 77263-08-2 knapsack NA NA +FL2F1ANI0006 Bavachin C20H20O4 324.13615 19879-32-4 knapsack NA NA +FL2F9ANI0001 Crotaramosmin C20H20O4 324.13615 139682-14-7 knapsack NA NA +FL2FA9NI0001 Glabranin C20H20O4 324.13615 41983-91-9 knapsack NA NA +FL2FA9NI0003 5,7-Dihydroxy-6-C-prenylflavanone C20H20O4 324.13615 55051-77-9 knapsack NA NA +FL2FA9NI0015 7-O-Prenylpinocembrin C20H20O4 324.13615 94393-10-9 knapsack NA NA +FLIC1LNF0001 Crotmarine C20H20O4 324.13615 92662-85-6 knapsack NA NA +FLIC1LNP0001 Glabridin C20H20O4 324.13615 59870-68-7 knapsack NA NA +FLIC1LNP0003 (-)-Phaseollinisoflavan C20H20O4 324.13615 40323-57-7 knapsack NA NA +FLID1ANF0002 Sophorapterocarpan A;Homoedudiol;3,9-Dihydroxy-8-prenylpterocarpan C20H20O4 324.13615 77369-92-7 knapsack NA NA +FLID1ANI0001 (-)-Phaseollidin C20H20O4 324.13615 37831-70-2 knapsack NA NA +FLID1ANI0002 Calocarpin;3,9-Dihydroxy-2-prenylpterocarpan C20H20O4 324.13615 53802-77-0 knapsack NA NA +MJ034205 1,3,8,9-Tetrahydroxy-6-methylanthracene; O3-(3-Methyl-2-butenyl) C20H20O4 324.136159 NA MeJP NA NA +MJ034206 1-(2,5-Dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone C20H20O4 324.136159 NA MeJP NA NA +MJ034207 17(15?16),18(4?3)-Bisabeo-12,16-epoxy-11-hydroxy-3,5,8,11,13-abietapentaen-7-one; 14-Hydroxy, 15,16-didehydro C20H20O4 324.136159 NA MeJP NA NA +MJ034208 17(15?16)-Abeo-12,16-epoxy-11,14-dihydroxy-5,8,11,13-abietatetraen-7-one, 2,3,15,16-Tetradehydro C20H20O4 324.136159 NA MeJP NA NA +MJ034209 2',4',6'-Trihydroxy-3'-prenylchalcone C20H20O4 324.136159 NA MeJP NA NA +MJ034210 2',4',6'-Trihydroxychalcone; 4'-O-(3-Methyl-2-butenyl) C20H20O4 324.136159 NA MeJP NA NA +MJ034211 2',4,4'-Trihydroxy-3'-prenylchalcone C20H20O4 324.136159 NA MeJP NA NA +MJ034212 2',4,4'-Trihydroxy-3-prenylchalcone C20H20O4 324.136159 NA MeJP NA NA +MJ034213 2',4,4'-Trihydroxy-5'-prenylchalcone C20H20O4 324.136159 NA MeJP NA NA +MJ034214 2',4,4'-Trihydroxychalcone; 4'-O-(3-Methyl-2-butenyl) C20H20O4 324.136159 NA MeJP NA NA +MJ034215 2-(2,4-Dihydroxy-3-prenylphenyl)-6-hydroxybenzofuran; 2'-Me ether C20H20O4 324.136159 NA MeJP NA NA +MJ034216 3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7'-ene, 3',4'-Methylene, 5-Me ether C20H20O4 324.136159 NA MeJP NA NA +MJ034217 3,7-Dihydroxy-6-prenylflavanone C20H20O4 324.136159 NA MeJP NA NA +MJ034218 3,7-Dihydroxy-8-prenylflavanone C20H20O4 324.136159 NA MeJP NA NA +MJ034219 3,9-Dihydroxy-10-prenylpterocarpan C20H20O4 324.136159 NA MeJP NA NA +MJ034220 3,9-Dihydroxy-2-prenylpterocarpan C20H20O4 324.136159 NA MeJP NA NA +MJ034221 3,9-Dihydroxy-6a-prenylpterocarpan C20H20O4 324.136159 NA MeJP NA NA +MJ034222 3,9-Dihydroxy-8-prenylpterocarpan C20H20O4 324.136159 NA MeJP NA NA +MJ034223 4',7-Dihydroxy-3'-prenylflavanone C20H20O4 324.136159 NA MeJP NA NA +MJ034224 4',7-Dihydroxy-6-prenylflavanone C20H20O4 324.136159 NA MeJP NA NA +MJ034225 4',7-Dihydroxy-8-prenylflavanone C20H20O4 324.136159 NA MeJP NA NA +MJ034226 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5-triol, 3',4'-Methylene, 5-Me ether C20H20O4 324.136159 NA MeJP NA NA +MJ034227 5,7-Dihydroxy-6-prenylflavanone C20H20O4 324.136159 NA MeJP NA NA +MJ034228 5,7-Dihydroxy-8-prenylflavanone C20H20O4 324.136159 NA MeJP NA NA +MJ034229 5,7-Dihydroxyflavanone, 7-O-(3-Methyl-2-butenyl) C20H20O4 324.136159 NA MeJP NA NA +MJ034230 5-(1-Propenyl)-2-(2,4,6-trimethoxyphenyl)benzofuran C20H20O4 324.136159 NA MeJP NA NA +MJ034231 5-(2-Propenyl)-1,2,3-benzenetriol; 1,3-Di-Me ether, 2-O-cinnamoyl(E-) C20H20O4 324.136159 NA MeJP NA NA +MJ034232 5-Hydroxy-2,2-dimethyl-7-(2-phenylethyl)-2H-1-benzopyran-6-carboxylic acid C20H20O4 324.136159 NA MeJP NA NA +MJ034233 Ajuforrestine A C20H20O4 324.136159 NA MeJP NA NA +MJ034234 Alnusdiol; 13-Oxo, 11-deoxy, 9-ketone, 2-Me ether C20H20O4 324.136159 NA MeJP NA NA +MJ034235 Avicennin C20H20O4 324.136159 NA MeJP NA NA +MJ034236 Cagayanin C20H20O4 324.136159 NA MeJP NA NA +MJ034237 Carinatidin C20H20O4 324.136159 NA MeJP NA NA +MJ034238 Cneorumchromene G C20H20O4 324.136159 NA MeJP NA NA +MJ034239 Coleon F C20H20O4 324.136159 NA MeJP NA NA +MJ034240 Crotmadine C20H20O4 324.136159 NA MeJP NA NA +MJ034241 Crotmarine C20H20O4 324.136159 NA MeJP NA NA +MJ034242 Dehydroguaiaretic acid C20H20O4 324.136159 NA MeJP NA NA +MJ034243 Erythbidin A C20H20O4 324.136159 NA MeJP NA NA +MJ034244 Eupomatenoid 6; 3',7-Dimethoxy C20H20O4 324.136159 NA MeJP NA NA +MJ034245 Flemistrictin B C20H20O4 324.136159 NA MeJP NA NA +MJ034246 Flemistrictin C C20H20O4 324.136159 NA MeJP NA NA +MJ034247 Flemistrictin E C20H20O4 324.136159 NA MeJP NA NA +MJ034248 Flemistrictin F C20H20O4 324.136159 NA MeJP NA NA +MJ034249 Fruticulin A C20H20O4 324.136159 NA MeJP NA NA +MJ034250 Glabridin C20H20O4 324.136159 NA MeJP NA NA +MJ034251 Isobavachromene; 2',3'-Dihydro C20H20O4 324.136159 NA MeJP NA NA +MJ034252 Isobavachromene; 3,4-Dihydro C20H20O4 324.136159 NA MeJP NA NA +MJ034253 Moracin I C20H20O4 324.136159 NA MeJP NA NA +MJ034254 Neochamelin C20H20O4 324.136159 NA MeJP NA NA +MJ034255 Otobain C20H20O4 324.136159 NA MeJP NA NA +MJ034256 Phaseollinisoflavan C20H20O4 324.136159 NA MeJP NA NA +MJ034257 Psorolactone C20H20O4 324.136159 NA MeJP NA NA +MJ034258 Pygmaeocin E C20H20O4 324.136159 NA MeJP NA NA +MJ034259 Radulanin E C20H20O4 324.136159 NA MeJP NA NA +MJ034260 Radulanin H C20H20O4 324.136159 NA MeJP NA NA +MJ034261 Radulanin K C20H20O4 324.136159 NA MeJP NA NA +MJ034262 Spatheliabischromene C20H20O4 324.136159 NA MeJP NA NA +MJ034263 Spiranthoquinone C20H20O4 324.136159 NA MeJP NA NA +MJ034264 Teretifolione B C20H20O4 324.136159 NA MeJP NA NA +MJ034265 Xestoquinol; 13,14,15,16-Tetrahydro C20H20O4 324.136159 NA MeJP NA NA +MetaCyc02861 (-)-phaseollidin [phaseollidin;(-)-phaseollidin;] C20H20O4 324.136159 37831-70-2 metacyc NA NA +C05230 Phaseollidin C20H20O4 324.1362 NA KEGG NA NA +C08648 Isobavachalcone C20H20O4 324.1362 NA KEGG NA NA +C09048 Spathelia bischromene C20H20O4 324.1362 NA KEGG NA NA +C09752 Glabranin C20H20O4 324.1362 NA KEGG NA NA +C10421 Glabridin C20H20O4 324.1362 NA KEGG NA NA +C10515 (-)-Phaseollinisoflavan C20H20O4 324.1362 NA KEGG NA NA +C10728 Otobain C20H20O4 324.1362 NA KEGG NA NA +MJ034266 Glaucobiose C13H24O9 324.142032 NA MeJP NA NA +MJ034267 Strophanthobiose; Pyranose-form C13H24O9 324.142032 NA MeJP NA NA +MJ034268 Resorcinomycin A C14H20N4O5 324.143369 NA MeJP NA NA +MJ034269 Norsphaerol C18H29Br 324.145263 NA MeJP NA NA +MJ034270 Alstonal; 11-Methoxy C19H20N2O3 324.147392 NA MeJP NA NA +MJ034271 Amphotalide C19H20N2O3 324.147392 NA MeJP NA NA +MJ034272 Bindarit C19H20N2O3 324.147392 NA MeJP NA NA +MJ034273 Darlucin B C19H20N2O3 324.147392 NA MeJP NA NA +MJ034274 Ditazole C19H20N2O3 324.147392 NA MeJP NA NA +MJ034275 Dolasetron C19H20N2O3 324.147392 NA MeJP NA NA +MJ034276 Oxyphenbutazone C19H20N2O3 324.147392 NA MeJP NA NA +MJ034277 Rosicine C19H20N2O3 324.147392 NA MeJP NA NA +C07866 Dolasetron C19H20N2O3 324.1474 NA KEGG NA NA +C07867 Transferred to D00725 C19H20N2O3 324.1474 NA KEGG NA NA +MJ034278 Glyoctamide C16H24N2O3S 324.150763 NA MeJP NA NA +HMDB00600 Galactosylhydroxylysine C12H24N2O8 324.153259 NA HMDB2010 NA NA +HMDB00600 Galactosylhydroxylysine C12H24N2O8 324.15326 http://www.hmdb.ca/metabolites/HMDB00600 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00600 Galactosylhydroxylysine C12H24N2O8 324.15326 http://www.hmdb.ca/metabolites/HMDB00600 HMDB NA NA +HMDB00600 Galactosylhydroxylysine C12H24N2O8 324.15326 http://www.hmdb.ca/metabolites/HMDB00600 PFEM_hmdb_metabocards_blood NA blood +HMDB00600 Galactosylhydroxylysine C12H24N2O8 324.15326 HMDB00600 PFEM_hmdb_metabocards_official NA NA +MJ034279 2,6-Diamino-5-hydroxyhexanoic acid, ?-D-Galactopyranoside C12H24N2O8 324.153265 NA MeJP NA NA +MJ034280 Antibiotic SS 56A C12H24N2O8 324.153265 NA MeJP NA NA +C17981 Istamycin FU-10 C12H24N2O8 324.1533 NA KEGG NA NA +MJ034281 Aciclovir; L-Valine ester C13H20N6O4 324.154603 NA MeJP NA NA +MJ034282 1,4,14-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034283 1,4,15-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 15-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034284 1,4,15-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034285 1,4,6-Trihydroxy-11(13)-eudesmen-12,8-olide, 6-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034286 1,4,8-Trihydroxy-11(13)-eudesmen-12,6-olide, 8-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034287 1,5,8-Trihydroxy-4(15)-eudesmen-12,6-olide, 1-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034288 1,9-Dihydroxy-4,10(14)-germacradien-12,6-olide, 1-Hydroperoxide, 9-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034289 11,13-Epoxy-2,4-dihydroxy-12,6-pseudoguaianolide, 2-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034290 2,3,4-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034291 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro, 4-ketone, 6-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034292 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034293 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 6-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034294 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034295 2,8,9-Trihydroxy-1(10),4-germacradien-12,6-olide, 8-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034296 3,4,15-Scirpenetriol, 15-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034297 3,4,15-Scirpenetriol, 3-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034298 3,4,15-Scirpenetriol, 4-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034299 3,5,7-Trihydroxy-p-menth-1-en-6-one, 3-Angeloyl, 5-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034300 3,5,7-Trihydroxy-p-menth-1-en-6-one, 5-Tigloyl, 3-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034301 3-Heptyl-3,4-dihydro-1,6,8-trihydroxy-1H-2-benzopyran-7-carboxylic acid C17H24O6 324.157288 NA MeJP NA NA +MJ034302 4,5-Epoxy-2,8-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 11?,13-Dihydro, 8-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034303 4,9-Dihydroxy-3-oxo-11(13)-eudesmen-12-oic acid, 9-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034304 5,9-Dihydroxy-4(15),11(13)-eudesmadien-12-oic acid, 5-Hydroperoxide, 9-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034305 6-Acetyl-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3,4,5,7-tetrol, 4-Et, 5,7-di-Me ether C17H24O6 324.157288 NA MeJP NA NA +MJ034306 8,10,11-Trihydroxy-3-guaien-12,6-olide, 11-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034307 9,10-Epoxy-5,8-dihydroxy-11(13)-germacren-12,6-olide, 5-Ac C17H24O6 324.157288 NA MeJP NA NA +MJ034308 AF Toxin II C17H24O6 324.157288 NA MeJP NA NA +MJ034309 Eremofortin D C17H24O6 324.157288 NA MeJP NA NA +MJ034310 Naematolin; 13-Hydroxy C17H24O6 324.157288 NA MeJP NA NA +MJ034311 Strychnilactone C17H24O6 324.157288 NA MeJP NA NA +MJ034312 p-Mentha-1,3,5-triene-3,8,9,10-tetrol; 3-Me ether, 9-(2-methylpropanoyl), 10-Ac C17H24O6 324.157288 NA MeJP NA NA +C09560 Tetraneurin E C17H24O6 324.1573 NA KEGG NA NA +MJ034313 Nitracrine C18H20N4O2 324.158625 NA MeJP NA NA +HMDB05028 Escitalopram C20H21FN2O 324.163788 NA HMDB2010 NA NA +HMDB05038 Citalopram C20H21FN2O 324.163788 NA HMDB2010 NA NA +HMDB05028 Escitalopram C20H21FN2O 324.16379 http://www.hmdb.ca/metabolites/HMDB05028 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05028 Escitalopram C20H21FN2O 324.16379 http://www.hmdb.ca/metabolites/HMDB05028 HMDB NA NA +HMDB05038 Citalopram C20H21FN2O 324.16379 http://www.hmdb.ca/metabolites/HMDB05038 HMDB NA NA +HMDB05028 Escitalopram C20H21FN2O 324.16379 http://www.hmdb.ca/metabolites/HMDB05028 PFEM_hmdb_metabocards_blood NA blood +HMDB05028 Escitalopram C20H21FN2O 324.16379 HMDB05028 PFEM_hmdb_metabocards_official NA NA +HMDB05038 Citalopram C20H21FN2O 324.16379 HMDB05038 PFEM_hmdb_metabocards_official NA NA +MJ034314 Citalopram C20H21FN2O 324.163791 NA MeJP NA NA +C07572 Citalopram C20H21FN2O 324.1638 NA KEGG NA NA +MJ034315 Tricetamide C16H24N2O5 324.168521 NA MeJP NA NA +MJ034316 1,15-Diisothiocyanato-1,14-pentadecadiene, 1,2-Dihydro C17H28N2S2 324.16939 NA MeJP NA NA +EUR376 Aldosterone F3 F3 324.172375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR376 Aldosterone F3 NA 324.172375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR376 Aldosterone F3 F3 324.172375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR376 Aldosterone F3 NA 324.172375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR376 Aldosterone F3 F3 324.172375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR376 Aldosterone F3 NA 324.172375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR376 Aldosterone F3 F3 324.172375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR376 Aldosterone F3 F3 324.172375 standards wishlist analysés sur QTOF HMDB NA NA +EUR376 Aldosterone F3 F3 324.172375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR376 Aldosterone F3 NA 324.172375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR376 Aldosterone F3 F3 324.172375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR376 Aldosterone F3 F3 324.172375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ034317 3,4',5-Trihydroxy-2-prenylstilbene; 4',5-Di-Me ether C21H24O3 324.172544 NA MeJP NA NA +MJ034318 9,10-Dihydro-2,5,7-trihydroxy-1-prenylphenanthrene; 5,7-Di-Me ether C21H24O3 324.172544 NA MeJP NA NA +MJ034319 Arachidin II, 3,5-Di-Me ether C21H24O3 324.172544 NA MeJP NA NA +MJ034320 Cordiaquinone B C21H24O3 324.172544 NA MeJP NA NA +MJ034321 Cordiaquinone E C21H24O3 324.172544 NA MeJP NA NA +MJ034322 Piptoporic acid C21H24O3 324.172544 NA MeJP NA NA +MJ034323 Tylimanthin B; 4'-Methoxy, Me ether C21H24O3 324.172544 NA MeJP NA NA +7731 proctolin RYLPT 324.1735 MH2+ Inhouse_peptide NA peptide +MJ034324 Norastemizole C19H21FN4 324.175024 NA MeJP NA NA +MJ034325 3-(1-Hydroxyethyl)-4-methyl-1,4-pentanediol, 1-O-?-D-Glucopyranoside C14H28O8 324.178417 NA MeJP NA NA +MJ034326 1,4-Butanediamine; N,N'-Bis(phenylacetyl) C20H24N2O2 324.183778 NA MeJP NA NA +MJ034327 11-Methoxy-?14-vincanol C20H24N2O2 324.183778 NA MeJP NA NA +MJ034328 3,6-Oxidoiboxygaine; Deoxy C20H24N2O2 324.183778 NA MeJP NA NA +MJ034329 Accedine C20H24N2O2 324.183778 NA MeJP NA NA +MJ034330 Affinine C20H24N2O2 324.183778 NA MeJP NA NA +MJ034331 Affinisine; 18-Hydroxy C20H24N2O2 324.183778 NA MeJP NA NA +MJ034332 Affinisine; N4-Oxide C20H24N2O2 324.183778 NA MeJP NA NA +MJ034333 Ajmalidine C20H24N2O2 324.183778 NA MeJP NA NA +MJ034334 Akagerine C20H24N2O2 324.183778 NA MeJP NA NA +MJ034335 Akuammicine, 19,20S-Dihydro C20H24N2O2 324.183778 NA MeJP NA NA +MJ034336 Alstoumerine C20H24N2O2 324.183778 NA MeJP NA NA +MJ034337 Aristolasicone; 15-Alcohol, 8-hydroxy C20H24N2O2 324.183778 NA MeJP NA NA +MJ034338 Aspidospermatidine; 11-Hydroxy, N-Ac C20H24N2O2 324.183778 NA MeJP NA NA +MJ034339 Beninine; 1,2-Didehydro C20H24N2O2 324.183778 NA MeJP NA NA +MJ034340 Capitelline C20H24N2O2 324.183778 NA MeJP NA NA +MJ034341 Cyclocapitelline C20H24N2O2 324.183778 NA MeJP NA NA +MJ034342 Eburnamonine, 11-Methoxy C20H24N2O2 324.183778 NA MeJP NA NA +MJ034343 Gardnerine C20H24N2O2 324.183778 NA MeJP NA NA +MJ034344 Humantenirine; Bis(demethoxy), N4-Me C20H24N2O2 324.183778 NA MeJP NA NA +MJ034345 Hydrakouminol C20H24N2O2 324.183778 NA MeJP NA NA +MJ034346 Ibophyllidine C20H24N2O2 324.183778 NA MeJP NA NA +MJ034347 Iboquine C20H24N2O2 324.183778 NA MeJP NA NA +MJ034348 Jadiffine C20H24N2O2 324.183778 NA MeJP NA NA +MJ034349 Koumine, 18,19-Dihydro, 19R-hydroxy C20H24N2O2 324.183778 NA MeJP NA NA +MJ034350 Kribine C20H24N2O2 324.183778 NA MeJP NA NA +MJ034351 Limatinine C20H24N2O2 324.183778 NA MeJP NA NA +MJ034352 Mehranine, 3-Oxo C20H24N2O2 324.183778 NA MeJP NA NA +MJ034353 Methuenine; N1-Methoxy C20H24N2O2 324.183778 NA MeJP NA NA +MJ034354 Purpeline; 12R-Alcohol, N-de-Me C20H24N2O2 324.183778 NA MeJP NA NA +MJ034355 Quinicine C20H24N2O2 324.183778 NA MeJP NA NA +MJ034356 Quinidine C20H24N2O2 324.183778 NA MeJP NA NA +MJ034357 Quinine C20H24N2O2 324.183778 NA MeJP NA NA +MJ034358 Sarpagine; N1-Me C20H24N2O2 324.183778 NA MeJP NA NA +MJ034359 Sarpagine; O10-Me C20H24N2O2 324.183778 NA MeJP NA NA +MJ034360 Sceletium Alkaloid A4 C20H24N2O2 324.183778 NA MeJP NA NA +MJ034361 Seredamine; 17-Epimer, N-De-Me C20H24N2O2 324.183778 NA MeJP NA NA +MJ034362 Seredamine; N-De-Me C20H24N2O2 324.183778 NA MeJP NA NA +MJ034363 Serratoline; 13-Oxo C20H24N2O2 324.183778 NA MeJP NA NA +MJ034364 Strychnobrasiline; N-De-Ac C20H24N2O2 324.183778 NA MeJP NA NA +MJ034365 Talpinine C20H24N2O2 324.183778 NA MeJP NA NA +MJ034366 Tetraphyllicine; 17-Epimer, 12-hydroxy C20H24N2O2 324.183778 NA MeJP NA NA +MJ034367 Tombozine; Me ether, N4-Oxide C20H24N2O2 324.183778 NA MeJP NA NA +MJ034368 Tubotaiwine C20H24N2O2 324.183778 NA MeJP NA NA +MJ034369 10-Methoxydihydrocorynantheol; 3,4,5,6-Tetradehydro C20H25N2O2(+) 324.183778 NA MeJP NA NA +MJ034370 C-Fluorocurine C20H25N2O2(+) 324.183778 NA MeJP NA NA +MJ034371 Caracurine VII; Nb-Me C20H25N2O2(+) 324.183778 NA MeJP NA NA +MJ034372 Venecurine C20H25N2O2(+) 324.183778 NA MeJP NA NA +MetaCyc02862 Quinine [] C20H24N2O2 324.183778 NA metacyc NA NA +C06526 Quinine C20H24N2O2 324.1838 NA KEGG NA NA +C06527 Quinidine C20H24N2O2 324.1838 NA KEGG NA NA +C09021 Affinine C20H24N2O2 324.1838 NA KEGG NA NA +C12259 (+)-Sceletium A4 C20H24N2O2 324.1838 NA KEGG NA NA +MJ034373 1,4-Dihydroxy-11(13)-pseudoguaien-12-oic acid, 4-Ac, Me ester C18H28O5 324.193674 NA MeJP NA NA +MJ034374 14,18-Dihydroxy-12-oxo-9,13,15-octadecatrienoic acid C18H28O5 324.193674 NA MeJP NA NA +MJ034375 2,4-Dihydroxy-6-(6-hydroxyheptyl)benzoic acid, 2-Methylpropyl ester C18H28O5 324.193674 NA MeJP NA NA +MJ034376 3,6-Caryophilladiene-5,9,10,15-tetrol, 5-Me ether, 9-Ac C18H28O5 324.193674 NA MeJP NA NA +MJ034377 3-Hydroxy-6-isopropyl-3-methyl-9-(5-oxotetrahydrofuran-2-yl)-4,9-decadienoic acid C18H28O5 324.193674 NA MeJP NA NA +MJ034378 4-Amorphene-11,15-diol; 15-Malonoyl C18H28O5 324.193674 NA MeJP NA NA +MJ034379 4-Muurolene-7,15-diol, 15-O-Malonoyl C18H28O5 324.193674 NA MeJP NA NA +MJ034380 5,14-Epoxy-5,7,8-marasmanetriol, 5-Me ether, 8-Ac C18H28O5 324.193674 NA MeJP NA NA +MJ034381 6-(4,6-Decadienyl)-3,6-dihydro-6-methoxy-1,2-dioxin-3-acetic acid; Me ester C18H28O5 324.193674 NA MeJP NA NA +MJ034382 Albocycline; 10-Hydroxy C18H28O5 324.193674 NA MeJP NA NA +MJ034383 Albocycline; 11-Hydroxy C18H28O5 324.193674 NA MeJP NA NA +MJ034384 Albocycline; 12-Hydroxy C18H28O5 324.193674 NA MeJP NA NA +MJ034385 Albocycline; 18-Hydroxy C18H28O5 324.193674 NA MeJP NA NA +MJ034386 Albocycline; 8,9-Epoxide C18H28O5 324.193674 NA MeJP NA NA +MJ034387 Antibiotic 1233A C18H28O5 324.193674 NA MeJP NA NA +MJ034388 Grindelistrictic acid C18H28O5 324.193674 NA MeJP NA NA +MJ034389 Hynapene A C18H28O5 324.193674 NA MeJP NA NA +MJ034390 Lachnellulone C18H28O5 324.193674 NA MeJP NA NA +MJ034391 1,3(15),6-Humulatrien-10-ol; Benzoyl C22H28O2 324.20893 NA MeJP NA NA +MJ034392 3(15),6-Caryophylladien-9-ol, Benzoyl C22H28O2 324.20893 NA MeJP NA NA +MJ034393 Amygdalinic acid C22H28O2 324.20893 NA MeJP NA NA +MJ034394 Etonogestrel C22H28O2 324.20893 NA MeJP NA NA +MJ034395 Prolylleucylproline C16H28N4O3 324.21614 NA MeJP NA NA +MJ034396 Bifepramide C21H28N2O 324.220163 NA MeJP NA NA +MJ034397 Diampromide C21H28N2O 324.220163 NA MeJP NA NA +MJ034398 Eburnamine, Et ether C21H28N2O 324.220163 NA MeJP NA NA +MJ034399 Tombozine; Me ether, N4-Me, 19,20-Dihydro C21H29N2O(+) 324.220163 NA MeJP NA NA +MJ034400 15-Chloro-4,8(19)-xeniaphylladien-14-ol C20H33ClO 324.221993 NA MeJP NA NA +MJ034401 17-Chloro-16-kauranol C20H33ClO 324.221993 NA MeJP NA NA +MJ034402 1,2-Dihydroxy-16-heptadecyn-4-one; 1-Ac C19H32O4 324.230059 NA MeJP NA NA +MJ034403 11,12-Drimanediol; Di-Ac C19H32O4 324.230059 NA MeJP NA NA +MJ034404 12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid, Me ester C19H32O4 324.230059 NA MeJP NA NA +MJ034405 4,6-Dihydroxy-20-nor-2,7-cembradien-12-one, 7R,8R-Epoxide C19H32O4 324.230059 NA MeJP NA NA +MJ034406 4,7-Epidioxy-1-nor-10,14-phytadien-2-oic acid C19H32O4 324.230059 NA MeJP NA NA +MJ034407 5-Tridecyl-1,3-benzenediol; 2'R,11'S-Dihydroxy C19H32O4 324.230059 NA MeJP NA NA +MJ034408 5-Tridecyl-1,3-benzenediol; 2'R,13'-Dihydroxy C19H32O4 324.230059 NA MeJP NA NA +MJ034409 5-Tridecyl-1,3-benzenediol; 2'R,8'S-Dihydroxy C19H32O4 324.230059 NA MeJP NA NA +MJ034410 7-[2-Hydroxy-4-(3-hydroxy-1-octenyl)cyclobutyl]-5-heptenoic acid C19H32O4 324.230059 NA MeJP NA NA +MJ034411 9,10-Epoxy-11-hydroxy-12,15-octadecadienoic acid, Me ester C19H32O4 324.230059 NA MeJP NA NA +MJ034412 Gingerdiols; [8]-Gingerdiol C19H32O4 324.230059 NA MeJP NA NA +MJ034413 Lichesteric acid C19H32O4 324.230059 NA MeJP NA NA +MJ034414 Nuapapuin A C19H32O4 324.230059 NA MeJP NA NA +MJ034415 Nuapapuin B; Parent acid C19H32O4 324.230059 NA MeJP NA NA +MJ034416 Pironetin C19H32O4 324.230059 NA MeJP NA NA +MJ034417 Protolichesteric acid C19H32O4 324.230059 NA MeJP NA NA +MJ034418 Raspailynes; Raspailyne A1 C19H32O4 324.230059 NA MeJP NA NA +C15495 Decylubiquinol C19H32O4 324.2301 NA KEGG NA NA +C15496 Oxidized thiol-containing reductant S2R2 324.2301 NA KEGG NA NA +MJ034419 7,15-Diisocyanoisocycloamphilectane C22H32N2 324.256549 NA MeJP NA NA +MJ034420 7,20-Diisocyanoisocycloamphilectane C22H32N2 324.256549 NA MeJP NA NA +MJ034421 7-Isocyano-11(20),14-epiamphilectadiene; 14,15-Dihydro, 15-isocyano C22H32N2 324.256549 NA MeJP NA NA +MJ034422 8-Isocyano-10,14-amphilectadiene; 14,15-Dihydro, 15-isocyano, ?11(20)-isomer C22H32N2 324.256549 NA MeJP NA NA +MJ034423 1,6,10-Phytatriene-3,14,15-triol C20H36O3 324.266445 NA MeJP NA NA +MJ034424 10-Methylene-9-oxooctadecanoic acid; Me ester C20H36O3 324.266445 NA MeJP NA NA +MJ034425 12-Labdene-9,14,15-triol C20H36O3 324.266445 NA MeJP NA NA +MJ034426 13-Clerodene-15,16,18-triol C20H36O3 324.266445 NA MeJP NA NA +MJ034427 13-Labdene-2,8,15-triol C20H36O3 324.266445 NA MeJP NA NA +MJ034428 13-Labdene-3,8,15-triol C20H36O3 324.266445 NA MeJP NA NA +MJ034429 13-Labdene-8,12,15-triol C20H36O3 324.266445 NA MeJP NA NA +MJ034430 13-Labdene-8,15,16-triol C20H36O3 324.266445 NA MeJP NA NA +MJ034431 14-Clerodene-3,4,13-triol C20H36O3 324.266445 NA MeJP NA NA +MJ034432 14-Hydroxy-11,17-eicosadienoic acid C20H36O3 324.266445 NA MeJP NA NA +MJ034433 15-Oxo-11-eicosenoic acid C20H36O3 324.266445 NA MeJP NA NA +MJ034434 20-Hydroxy-2-phyten-1,20-olide C20H36O3 324.266445 NA MeJP NA NA +MJ034435 3,11-Cembradiene-8,13,15-triol C20H36O3 324.266445 NA MeJP NA NA +MJ034436 3,11-Dihydroxy-15-cembren-6-one C20H36O3 324.266445 NA MeJP NA NA +MJ034437 3,4-Epoxy-13,15-clerodanediol C20H36O3 324.266445 NA MeJP NA NA +MJ034438 3,4-Epoxy-2,15-clerodanediol C20H36O3 324.266445 NA MeJP NA NA +MJ034439 3-Clerodene-15,18,19-triol C20H36O3 324.266445 NA MeJP NA NA +MJ034440 3-Clerodene-7,15,16,18-tetrol, 16-Deoxy C20H36O3 324.266445 NA MeJP NA NA +MJ034441 4,15,16-Erythoxylanetriol C20H36O3 324.266445 NA MeJP NA NA +MJ034442 4-Hydroxy-15-clerodanoic acid C20H36O3 324.266445 NA MeJP NA NA +MJ034443 5,15,16-Rosanetriol C20H36O3 324.266445 NA MeJP NA NA +MJ034444 7,13-Dihydroxy-14-cleroden-2-one, 14,15-Dihydro C20H36O3 324.266445 NA MeJP NA NA +MJ034445 7-Labdene-13,14,15-triol C20H36O3 324.266445 NA MeJP NA NA +MJ034446 7-Labdene-2,3,15-triol C20H36O3 324.266445 NA MeJP NA NA +MJ034447 8(17)-Labdene-13,14,15-triol C20H36O3 324.266445 NA MeJP NA NA +MJ034448 8(17)-Labdene-3,7,15-triol C20H36O3 324.266445 NA MeJP NA NA +MJ034449 8,13-Epoxy-14,15-labdanediol C20H36O3 324.266445 NA MeJP NA NA +MJ034450 8,15,18-Labdanetriol, 18-Aldehyde C20H36O3 324.266445 NA MeJP NA NA +MJ034451 8,15,18-Labdanetriol, 15-Aldehyde C20H36O3 324.266445 NA MeJP NA NA +MJ034452 8-Hydroxy-15-labdanoic acid C20H36O3 324.266445 NA MeJP NA NA +MJ034453 8-Labdene-13,14,15-triol C20H36O3 324.266445 NA MeJP NA NA +MJ034454 Dihydro-5-methoxy-5-methyl-3-(9-tetradecenyl)-2(3H)-furanone C20H36O3 324.266445 NA MeJP NA NA +MJ034455 Trixagotriol C20H36O3 324.266445 NA MeJP NA NA +MJ034456 Des-A-arborina-5,7,9-triene C24H36 324.281701 NA MeJP NA NA +MJ034457 1-Hydroxy-4-eicosen-3-one, Me ether C21H40O2 324.30283 NA MeJP NA NA +MJ034458 4,6-Heneicosanedione C21H40O2 324.30283 NA MeJP NA NA +MJ034459 5-Hydroxyheneicosanoic acid; Lactone C21H40O2 324.30283 NA MeJP NA NA +MJ034460 6,8-Heneicosanedione C21H40O2 324.30283 NA MeJP NA NA +MJ034461 9-Octadecenoic acid, Isopropyl ester C21H40O2 324.30283 NA MeJP NA NA +MJ034462 13-Docosen-1-ol C22H44O 324.339216 NA MeJP NA NA +C17433 Tricosane C23H48 324.3756 NA KEGG NA NA +MJ034463 Tricosane C23H48 324.375601 NA MeJP NA NA +2662 synthetic fr, of human beta-CN (138-143) ACE inhibitor VPQPIP 324.683 MH2+ Inhouse_peptide NA peptide +MJ034464 Lissoclinotoxin A C9H11NO2S5 324.939332 NA MeJP NA NA +MJ034465 Bromosalicylchloranilide C13H9BrClNO2 324.950518 NA MeJP NA NA +C10973 Thiadiazolidinone C12H12BrN3OS 324.9884 NA KEGG NA NA +C10975 Triazolidinonethione C12H12BrN3OS 324.9884 NA KEGG NA NA +MJ034466 Ethiazide C9H12ClN3O4S2 324.995774 NA MeJP NA NA +C11069 MC-6063 C14H9ClFNO5 325.0153 NA KEGG NA NA +MJ034467 Dispacamide A; 2-Debromo C11H12BrN5O2 325.017437 NA MeJP NA NA +MJ034468 Famphur C10H16NO5PS2 325.02075 NA MeJP NA NA +MJ034469 4-(Ethylamino)-3,4-dihydro-2-methyl-2H-thieno[3,2-l]-1,2-thiazine-6-sulfonamide 1,1-dioxide C9H15N3O4S3 325.022468 NA MeJP NA NA +MJ034470 Gerrardine C11H19NO2S4 325.029861 NA MeJP NA NA +C10147 Gerrardine C11H19NO2S4 325.0299 NA KEGG NA NA +HMDB02377 Urothion C11H11N5O3S2 325.03033 http://www.hmdb.ca/metabolites/HMDB02377 HMDB NA NA +MJ034471 Urothione C11H11N5O3S2 325.03033 NA MeJP NA NA +HMDB02377 Urothion C11H11N5O3S2 325.03033 HMDB02377 PFEM_hmdb_metabocards_official NA NA +HMDB02377 Urothion C11H11N5O3S2 325.030334 NA HMDB2010 NA NA +MetaCyc02863 3-enolpyruvyl-shikimate-3-phosphate [3-enolpyruvyl-shikimate-3p;] C10H14O10P1 325.032458 NA metacyc NA NA +MJ034472 Epoxyquinomicin C; 3'-Chloro C14H12ClNO6 325.035314 NA MeJP NA NA +MJ034473 3,4-Methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Me ester C17H11NO6 325.058637 NA MeJP NA NA +MJ034474 Trididemnic acid A C17H11NO6 325.058637 NA MeJP NA NA +MJ034475 Isalsteine C14H15NO6S 325.062007 NA MeJP NA NA +MJ034476 N-Acetylcysteine, S-(2-(Acetyloxybenzoyl) C14H15NO6S 325.062007 NA MeJP NA NA +MJ034477 Nitrazepic acid C16H11N3O5 325.06987 NA MeJP NA NA +MJ034478 Asobamast C13H15N3O5S 325.073241 NA MeJP NA NA +PJ000310 TCC C10H19N3O5S2 325.0766 NA PeJP NA NA +C07524 Midazolam C18H13ClFN3 325.0782 NA KEGG NA NA +MJ034479 Midazolam C18H13ClFN3 325.078203 NA MeJP NA NA +MJ034480 Pancratistatin C14H15NO8 325.079766 NA MeJP NA NA +C08535 Pancratistatin C14H15NO8 325.0798 NA KEGG NA NA +MJ034481 Zofenoprilat C15H19NO3S2 325.080634 NA MeJP NA NA +MJ034482 Arcyriaflavin A C20H11N3O2 325.085126 NA MeJP NA NA +MJ034483 1,2,3,9-Tetrahydroxydibenz[cd,f]indol-4(5H)-one; 1,2,3-Tri-Me ether C18H15NO5 325.095022 NA MeJP NA NA +MJ034484 1,2,6,7-Tetrahydroxydibenz[cd,f]indol-4(5H)-one; 1,6,7-Tri-Me ether C18H15NO5 325.095022 NA MeJP NA NA +MJ034485 Avenanthramide L C18H15NO5 325.095022 NA MeJP NA NA +MJ034486 Erythraline, 10,11-Dioxo C18H15NO5 325.095022 NA MeJP NA NA +MJ034487 Ovigerine, N-Hydroxy C18H15NO5 325.095022 NA MeJP NA NA +HMDB00833 N-Glycolylneuraminic acid C11H19NO10 325.10089 http://www.hmdb.ca/metabolites/HMDB00833 HMDB NA NA +HMDB00833 N-Glycolylneuraminic acid C11H19NO10 325.10089 HMDB00833 PFEM_hmdb_metabocards_official NA NA +HMDB00833 N-Glycolylneuraminic acid C11H19NO10 325.100891 NA HMDB2010 NA NA +MJ034488 N-Glycoloyl-neuraminate C11H19NO10 325.100895 NA MeJP NA NA +MJ034489 N-Glycolylneuraminic acid C11H19NO10 325.100895 NA MeJP NA NA +MetaCyc02864 N-glycoloyl-neuraminate [N-glycolylneuraminate;] C11H19N1O10 325.100896 1113-83-3 metacyc NA NA +C03410 N-Glycoloyl-neuraminate C11H19NO10 325.1009 NA KEGG NA NA +CJpos0749 Indoleacetyl glutamine [(M+Na)]+ C15H17N3NaO4 325.103275 C18rt(min)=6.05 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0749 Indoleacetyl glutamine [(M+Na)]+ C15H17N3NaO4 325.103275 C18rt(min)=6.05 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ034490 Motrazepam C17H15N3O4 325.106255 NA MeJP NA NA +MJ034491 N-[1-(3-Chlorophenyl)cyclobutyl]-N'-cyano-N''-3-pyridinylguanidine C17H16ClN5 325.109423 NA MeJP NA NA +PJ000311 GCF C14H19N3O4S 325.1096 NA PeJP NA NA +PARAC014 N-Glycoloyl-neuraminate C11H19NO10 325.1138 RT8.8 PFEM_hmdb_metabocards_urine NA urine +PARAC014 N-Glycoloyl-neuraminate C11H19NO10 325.1138 RT8.8 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC014 N-Glycoloyl-neuraminate C11H19NO10 325.1138 RT8.8 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC014 N-Glycoloyl-neuraminate C11H19NO10 325.1138 RT8.8 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC014 N-Glycoloyl-neuraminate C11H19NO10 325.1138 RT8.8 HMDB NA NA +PARAC014 N-Glycoloyl-neuraminate C11H19NO10 325.1138 RT8.8 Inhouse_PFEM NA NA +PARAC014 N-Glycoloyl-neuraminate C11H19NO10 325.1138 RT8.8 PFEM_hmdb_metabocards_blood NA blood +PARAC014 N-Glycoloyl-neuraminate C11H19NO10 325.1138 RT8.8 PFEM_hmdb_metabocards_official NA NA +MJ034492 2-(Glucopyranosyloxy)-2-(4-hydroxyphenyl)acetonitrile, 4'-Me ether C15H19NO7 325.116151 NA MeJP NA NA +MetaCyc02865 5'-n-propylthioadenosine [] C13H19N5O3S1 325.12086 NA metacyc NA NA +MJ034493 5-Cyano-6-methoxyindolo[2,3-a]carbazole; N11-Me C21H15N3O 325.121512 NA MeJP NA NA +MJ034494 3-(1-Chloro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine; N-Oxide C20H20ClNO 325.123341 NA MeJP NA NA +PJ000312 GSY C14H19N3O6 325.1274 NA PeJP NA NA +C05174 (S)-Cheilanthifoline C19H19NO4 325.1314 NA KEGG NA NA +C09333 Amurensine C19H19NO4 325.1314 NA KEGG NA NA +C09334 Amurine C19H19NO4 325.1314 NA KEGG NA NA +C09367 Bulbocapnine C19H19NO4 325.1314 NA KEGG NA NA +C09389 (+)-Cassythicine C19H19NO4 325.1314 NA KEGG NA NA +MJ034495 (S)-Cheilanthifoline C19H19NO4 325.131408 NA MeJP NA NA +MJ034496 1,2,3-Trihydroxy-5-oxonoraporphine, Tri-Me ether C19H19NO4 325.131408 NA MeJP NA NA +MJ034497 Amurensine C19H19NO4 325.131408 NA MeJP NA NA +MJ034498 Amurine C19H19NO4 325.131408 NA MeJP NA NA +MJ034499 Anolobine, Me ether, N-Me, N-oxide C19H19NO4 325.131408 NA MeJP NA NA +MJ034500 Ayuthianine C19H19NO4 325.131408 NA MeJP NA NA +MJ034501 Bulbocapnine C19H19NO4 325.131408 NA MeJP NA NA +MJ034502 Buxifoline C19H19NO4 325.131408 NA MeJP NA NA +MJ034503 Caryachine C19H19NO4 325.131408 NA MeJP NA NA +MJ034504 Cassythicine C19H19NO4 325.131408 NA MeJP NA NA +MJ034505 Cheilanthifoline C19H19NO4 325.131408 NA MeJP NA NA +MJ034506 Clausamine B, 1',2'-Dihydro, 1'-hydroxy C19H19NO4 325.131408 NA MeJP NA NA +MJ034507 Clausamine F C19H19NO4 325.131408 NA MeJP NA NA +MJ034508 Corygovanine C19H19NO4 325.131408 NA MeJP NA NA +MJ034509 Coryovanine C19H19NO4 325.131408 NA MeJP NA NA +MJ034510 Crotonosine, Me ether, N-formyl C19H19NO4 325.131408 NA MeJP NA NA +MJ034511 Cularicine, Me ether C19H19NO4 325.131408 NA MeJP NA NA +MJ034512 Dicentrine, N-De-Me C19H19NO4 325.131408 NA MeJP NA NA +MJ034513 Discoguattine C19H19NO4 325.131408 NA MeJP NA NA +MJ034514 Domesticine C19H19NO4 325.131408 NA MeJP NA NA +MJ034515 Elmerrillicine, N-Me C19H19NO4 325.131408 NA MeJP NA NA +MJ034516 Erysotramidine, 10,11-Didehydro C19H19NO4 325.131408 NA MeJP NA NA +MJ034517 Guatterine C19H19NO4 325.131408 NA MeJP NA NA +MJ034518 Isoboldine, 6a,7-Didehydro C19H19NO4 325.131408 NA MeJP NA NA +MJ034519 Isodomesticine C19H19NO4 325.131408 NA MeJP NA NA +MJ034520 Junosine C19H19NO4 325.131408 NA MeJP NA NA +MJ034521 N-Desmethyl-1,2-dihydro-1-hydroxyacronycine C19H19NO4 325.131408 NA MeJP NA NA +MJ034522 Nandigerine, N-Me C19H19NO4 325.131408 NA MeJP NA NA +MJ034523 Nandinine C19H19NO4 325.131408 NA MeJP NA NA +MJ034524 Nantenine, N-De-Me C19H19NO4 325.131408 NA MeJP NA NA +MJ034525 Neocaryachine C19H19NO4 325.131408 NA MeJP NA NA +MJ034526 Nuciferine, O2,N-Di-de-Me, N-methoxycarbonyl C19H19NO4 325.131408 NA MeJP NA NA +MJ034527 Obovanine; Me ether, 3-methoxy C19H19NO4 325.131408 NA MeJP NA NA +MJ034528 Oliveridine C19H19NO4 325.131408 NA MeJP NA NA +MJ034529 Pachypodanthine; N-Me, N-oxide C19H19NO4 325.131408 NA MeJP NA NA +MJ034530 Papaveroline; 4',6,7-Tri-Me ether C19H19NO4 325.131408 NA MeJP NA NA +MJ034531 Phanostenine C19H19NO4 325.131408 NA MeJP NA NA +MJ034532 Podocarpamide; N-De-Me C19H19NO4 325.131408 NA MeJP NA NA +MJ034533 Refractamine C19H19NO4 325.131408 NA MeJP NA NA +MJ034534 Reframoline C19H19NO4 325.131408 NA MeJP NA NA +MJ034535 Schelhammeridine; 11a-Oxo C19H19NO4 325.131408 NA MeJP NA NA +MJ034536 Schelhammeridine; 8-Oxo C19H19NO4 325.131408 NA MeJP NA NA +MJ034537 Stephadiolamine; 4,7-Diepimer, O7-Me C19H19NO4 325.131408 NA MeJP NA NA +MJ034538 Stephenanthrine; 8-Hydroxy, N-oxide C19H19NO4 325.131408 NA MeJP NA NA +MJ034539 Tetrahydrothalifendine C19H19NO4 325.131408 NA MeJP NA NA +MJ034540 6,7-Dimethoxy-2-methyl-1-(3,4-methylenedioxyphenyl)isoquinolinium(1+); 3,4-Dihydro C19H20NO4(+) 325.131408 NA MeJP NA NA +MJ034541 Cryptowoline, O-De-Me, O2-Me C19H20NO4(+) 325.131408 NA MeJP NA NA +MJ034542 Papaverine; 3',7-Di-O-de-Me, N-Me C19H20NO4(+) 325.131408 NA MeJP NA NA +MetaCyc02866 S-cheilanthifoline [(6aS)-6, 6a, 11,14-tetrahydro-8-methoxy-12H-benzo[a]-1,3-benzodioxolo[4, 5-g]quinolizim-9-ol;] C19H19N1O4 325.131408 483-44-3 metacyc NA NA +MJ034543 Clemizole C19H20ClN3 325.134575 NA MeJP NA NA +CJpos0750 Glucopyranosylmoranoline [(M+H)]+ C12H24NO9 325.136775 C18rt(min)=4.55 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0750 Glucopyranosylmoranoline [(M+H)]+ C12H24NO9 325.136775 C18rt(min)=4.55 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ034544 2-(1,2-Dihydroxyethyl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine, 2'-O-?-D-Xylopyranoside C12H23NO9 325.137281 NA MeJP NA NA +MJ034545 2-(1,2-Dihydroxyethyl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine, 2'-O-Apiofuranoside C12H23NO9 325.137281 NA MeJP NA NA +MJ034546 2-(Hydroxymethyl)-3,4,5-piperidinetriol, 5-O-?-D-Galactopyranoside C12H23NO9 325.137281 NA MeJP NA NA +MJ034547 Bufopyramide C18H19N3O3 325.142641 NA MeJP NA NA +MJ034548 Mecillinam C15H23N3O3S 325.146012 NA MeJP NA NA +8201 ACE inhibitor MYPGIA 325.1487 MH2+ Inhouse_peptide NA peptide +C10350 Monocrotaline C16H23NO6 325.1525 NA KEGG NA NA +MJ034549 Boveinine C16H23NO6 325.152537 NA MeJP NA NA +MJ034550 Capobenic acid C16H23NO6 325.152537 NA MeJP NA NA +MJ034551 Fulvine; N-Oxide C16H23NO6 325.152537 NA MeJP NA NA +MJ034552 Monocrotaline C16H23NO6 325.152537 NA MeJP NA NA +MJ034553 (5-Amino-1,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazin-7-yl)carbamic acid, Et ester C17H19N5O2 325.153874 NA MeJP NA NA +MJ034554 Piritrexim C17H19N5O2 325.153874 NA MeJP NA NA +2717 erythromycin inhibitor MRMLT 325.1564 MH2+ Inhouse_peptide NA peptide +MJ034555 Dazidamine C19H23N3S 325.161268 NA MeJP NA NA +7992 synthetic peptide LHG 325.163 inhibitor Inhouse_peptide NA peptide +MJ034556 Kasarin C15H23N3O5 325.16377 NA MeJP NA NA +2810 PEP inhibitor MPPPLP 325.1662 MH2+ Inhouse_peptide NA peptide +MJ034557 1,2,10-Trimethoxyaporphine C20H23NO3 325.167793 NA MeJP NA NA +MJ034558 1-[9-(3,4-Methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine C20H23NO3 325.167793 NA MeJP NA NA +MJ034559 3-Hydroxynuciferine, Me ether C20H23NO3 325.167793 NA MeJP NA NA +MJ034560 8-(3,3-Dimethylallyloxy)-N-methylflindersine C20H23NO3 325.167793 NA MeJP NA NA +MJ034561 Aegeline, Et ether C20H23NO3 325.167793 NA MeJP NA NA +MJ034562 Atherosperminine; N-Oxide C20H23NO3 325.167793 NA MeJP NA NA +MJ034563 Erioaustralasine; 4'?-form, Deacetoxy C20H23NO3 325.167793 NA MeJP NA NA +MJ034564 Flindersine; 7-(3-Methyl-2-butenyloxy), N-Me C20H23NO3 325.167793 NA MeJP NA NA +MJ034565 Isothebaine, Me ether C20H23NO3 325.167793 NA MeJP NA NA +MJ034566 Lemairamine, N-Me C20H23NO3 325.167793 NA MeJP NA NA +MJ034567 Orientine C20H23NO3 325.167793 NA MeJP NA NA +MJ034568 Tatsirine; 2,13-Diketone C20H23NO3 325.167793 NA MeJP NA NA +MJ034569 Triclazate C20H23NO3 325.167793 NA MeJP NA NA +MJ034570 Zanthosimuline; 3',4'-Dihydro, 3'-oxo C20H23NO3 325.167793 NA MeJP NA NA +MJ034571 Zanthosimuline; ?2'-Isomer, 4'-hydroxy C20H23NO3 325.167793 NA MeJP NA NA +MJ034572 1,2,10-Trimethoxyaporphine, O10-De-Me, N-Me C20H24NO3(+) 325.167793 NA MeJP NA NA +MJ034573 Isothebaine, N-Me C20H24NO3(+) 325.167793 NA MeJP NA NA +MJ034574 Thebaine, N-Me C20H24NO3(+) 325.167793 NA MeJP NA NA +C10929 Benalaxyl C20H23NO3 325.1678 NA KEGG NA NA +C10913 Cycloxydim C17H27NO3S 325.1712 NA KEGG NA NA +PJ000313 GLH C14H23N5O4 325.175 NA PeJP NA NA +C07543 Ergonovine C19H23N3O2 325.179 NA KEGG NA NA +C11483 MEGA C19H23N3O2 325.179 NA KEGG NA NA +MJ034575 Ergometrine C19H23N3O2 325.179026 NA MeJP NA NA +MJ034576 Preechinulin C19H23N3O2 325.179026 NA MeJP NA NA +MJ034577 Terezine D C19H23N3O2 325.179026 NA MeJP NA NA +2664 synthetic fr, of human beta-CN (127-129) ACE inhibitor PLP 325.188 NA Inhouse_peptide NA peptide +3391 ACE inhibitor LPP 325.188 celiac toxic Inhouse_peptide NA peptide +3522 ACE inhibitor (from bovine b-CN) IPP 325.188 ACE inhibitor Inhouse_peptide NA peptide +MJ034578 Binizolast C18H23N5O 325.19026 NA MeJP NA NA +MJ034579 ?-Fluorocurine C20H25N2O2 325.191603 NA MeJP NA NA +PJ000314 PPL C16H27N3O4 325.2002 NA PeJP NA NA +MJ034580 1-(2-Ethylphenoxy)-3-[(1,2,3,4-tetrahydro-1-naphthalenyl)amino]-2-propanol C21H27NO2 325.204179 NA MeJP NA NA +MJ034581 12-Hydroxynorcona-N(18),1,4-trienin-3-one; 12?-form C21H27NO2 325.204179 NA MeJP NA NA +MJ034582 2-(3,7-Dimethyl-2,6-octadienyl)-3-methyl-4(1H)-quinolinone, 6'?,7'?-Epoxide, N-Me C21H27NO2 325.204179 NA MeJP NA NA +MJ034583 6,11-Diethyl-3-(3-furanylmethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol C21H27NO2 325.204179 NA MeJP NA NA +MJ034584 Aprofene C21H27NO2 325.204179 NA MeJP NA NA +MJ034585 Dietifen C21H27NO2 325.204179 NA MeJP NA NA +MJ034586 Diphenylacetic acid; 3-(Diethylamino)propyl ester C21H27NO2 325.204179 NA MeJP NA NA +MJ034587 Etafenone C21H27NO2 325.204179 NA MeJP NA NA +MJ034588 Holonamine C21H27NO2 325.204179 NA MeJP NA NA +MJ034589 Ifenprodil C21H27NO2 325.204179 NA MeJP NA NA +MJ034590 Kurchinine C21H27NO2 325.204179 NA MeJP NA NA +MJ034591 Lobelanidine, N-De-Me C21H27NO2 325.204179 NA MeJP NA NA +C16662 L-alpha-Acetyl-N,N-dinormethadol C21H27NO2 325.2042 NA KEGG NA NA +C16663 Tryparedoxin C21H27NO2 325.2042 NA KEGG NA NA +C16664 Tryparedoxin disulfide C21H27NO2 325.2042 NA KEGG NA NA +HMDB11627 Farnesylcysteine C18H31NO2S 325.20755 NA HMDB2010 NA NA +MJ034592 Sperabillin C C15H27N5O3 325.211389 NA MeJP NA NA +MJ034593 Cylindricine A C19H32ClNO 325.217242 NA MeJP NA NA +MJ034594 Cylindricine B C19H32ClNO 325.217242 NA MeJP NA NA +C06852 Bisoprolol C18H31NO4 325.2253 NA KEGG NA NA +C11845 N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone C18H31NO4 325.2253 NA KEGG NA NA +C13800 10-Nitrolinoleic acid C18H31NO4 325.2253 NA KEGG NA NA +C13801 Transferred to D02144 C18H31NO4 325.2253 NA KEGG NA NA +C13958 12-Nitrolinoleic acid C18H31NO4 325.2253 NA KEGG NA NA +C13959 Transferred to D02182 C18H31NO4 325.2253 NA KEGG NA NA +C13960 Transferred to D02183 C18H31NO4 325.2253 NA KEGG NA NA +C13961 Transferred to D02184 C18H31NO4 325.2253 NA KEGG NA NA +MJ034595 2-(3-Hydroxy-1-octenyl)-4-oxo-1-azetidineheptanoic acid C18H31NO4 325.225308 NA MeJP NA NA +MJ034596 2-(3-Hydroxy-1-octenyl)-4-oxo-3-azetidineheptanoic acid C18H31NO4 325.225308 NA MeJP NA NA +MJ034597 3-Aminodihydro-2(3H)-furanone, N-(3-Hydroxy-7-tetradecenoyl)(3R,7Z-) C18H31NO4 325.225308 NA MeJP NA NA +MJ034598 Bisoprolol C18H31NO4 325.225308 NA MeJP NA NA +MJ034599 N-Jasmonoylisoleucine; 3,4-Dihydro C18H31NO4 325.225308 NA MeJP NA NA +MJ034600 N-Jasmonoylisoleucine; 6-Epimer, 3,4-dihydro C18H31NO4 325.225308 NA MeJP NA NA +MJ034601 N-Jasmonoylisoleucine; 7?-Alcohol C18H31NO4 325.225308 NA MeJP NA NA +HMDB05049 10-Nitrolinoleic acid C18H31NO4 325.22531 http://www.hmdb.ca/metabolites/HMDB05049 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05049 10-Nitrolinoleic acid C18H31NO4 325.22531 http://www.hmdb.ca/metabolites/HMDB05049 HMDB NA NA +HMDB05049 10-Nitrolinoleic acid C18H31NO4 325.22531 http://www.hmdb.ca/metabolites/HMDB05049 PFEM_hmdb_metabocards_blood NA blood +HMDB05049 10-Nitrolinoleic acid C18H31NO4 325.22531 HMDB05049 PFEM_hmdb_metabocards_official NA NA +HMDB05049 10-Nitrolinoleic acid C18H31NO4 325.225311 NA HMDB2010 NA NA +MJ034602 Dapiprazole C19H27N5 325.226645 NA MeJP NA NA +MJ034603 Funtudienine C22H31NO 325.240564 NA MeJP NA NA +MJ034604 Holadienine C22H31NO 325.240564 NA MeJP NA NA +MJ034605 Kurchilidine C22H31NO 325.240564 NA MeJP NA NA +MJ034606 Tolterodine C22H31NO 325.240564 NA MeJP NA NA +C07750 Tolterodine C22H31NO 325.2406 NA KEGG NA NA +MJ034607 4-Methyl-1-tetradecylpyridinium(1+); Chloride C20H36ClN 325.253627 NA MeJP NA NA +MJ034608 2-(Aminomethyl)-2-propenoic acid; N-Pentadecanoyl C19H35NO3 325.261693 NA MeJP NA NA +MJ034609 2-(Aminomethyl)-2-propenoic acid; N-Tetradecanoyl, Me ester C19H35NO3 325.261693 NA MeJP NA NA +HMDB02088 N-Oleoylethanolamine C20H39NO2 325.298065 NA HMDB2010 NA NA +HMDB02088 N-Oleoylethanolamine C20H39NO2 325.29807 http://www.hmdb.ca/metabolites/HMDB02088 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02088 N-Oleoylethanolamine C20H39NO2 325.29807 http://www.hmdb.ca/metabolites/HMDB02088 HMDB NA NA +HMDB02088 N-Oleoylethanolamine C20H39NO2 325.29807 http://www.hmdb.ca/metabolites/HMDB02088 PFEM_hmdb_metabocards_blood NA blood +HMDB02088 N-Oleoylethanolamine C20H39NO2 325.29807 HMDB02088 PFEM_hmdb_metabocards_official NA NA +MJ034610 Spectalinine, 13'-Ketone C20H39NO2 325.298079 NA MeJP NA NA +HMDB00265 Liothyronine C15H12I3NO4 325.3950195 MH2+ Inhouse_peptide NA peptide +7893 peptide from bovine b-lactoglobulin A YVEEL 325.6495 MH2+ Inhouse_peptide NA peptide +7631 ACE inhibitor from k-CN (fr, 56-60) LPYPY 325.657 MH2+ Inhouse_peptide NA peptide +3514 ACE inhibitor (a-La 105-110) LAHKAL 325.697 MH2+ Inhouse_peptide NA peptide +7487 ACE inhibitor from b-casein (169-174) KVLPVP 325.709 MH2+ Inhouse_peptide NA peptide +MJ034611 1,1,3-Tribromo-3-chloro-2-propanone C3H2Br3ClO 325.73443 NA MeJP NA NA +MJ034612 2,6-Dibromo-4,5-dihydroxy-2-cyclohexen-1-one, 4-Ac C8H8Br2O4 325.878934 NA MeJP NA NA +MJ034613 1,6-Dibromo-8-chloro-1,3-ochtodiene C10H13Br2Cl 325.907253 NA MeJP NA NA +MJ034614 2,6-Dibromo-3-(chloromethylene)-7-methyl-1,6-octadiene C10H13Br2Cl 325.907253 NA MeJP NA NA +MJ034615 2-Bromo-3-(bromomethylene)-6-chloro-7-methyl-1,6-octadiene C10H13Br2Cl 325.907253 NA MeJP NA NA +C14967 1-[2-Bromo-1-(4-chlorophenyl)ethenyl]-2-chlorobenzene C14H9BrCl2 325.9265 NA KEGG NA NA +MJ034616 Fluopsin B C6H12FeN3O3S3 325.93902 NA MeJP NA NA +MJ034617 Pantofuranoid A C10H16Br2O2 325.951705 NA MeJP NA NA +MJ034618 Butonate C8H14Cl3O5P 325.964443 NA MeJP NA NA +MJ034619 2,4-Dichloro-1,3,6-trihydroxy-8-methylxanthone C14H8Cl2O5 325.974878 NA MeJP NA NA +MJ034620 2,4-Dichloro-1,5,8-trihydroxy-6-methylxanthone C14H8Cl2O5 325.974878 NA MeJP NA NA +MJ034621 4,5-Dichloro-1,3,6-trihydroxy-8-methylxanthone C14H8Cl2O5 325.974878 NA MeJP NA NA +MJ034622 Niclosamide C13H8Cl2N2O4 325.986112 NA MeJP NA NA +MJ034623 Agelastatin A; N-De-Me C11H11BrN4O3 326.001452 NA MeJP NA NA +MJ034624 Mukanadin B C11H11BrN4O3 326.001452 NA MeJP NA NA +MJ034625 Aspirochlorine; Dechloro C12H10N2O5S2 326.003112 NA MeJP NA NA +MJ034626 Lead(II) acetate C4H6O4Pb 326.003244 NA MeJP NA NA +MJ034627 Mycorrhizin A, 1'-Bromo analogue C14H15BrO4 326.015371 NA MeJP NA NA +MJ034628 2,4,7-Trihydroxy-5-methyl-1,8-naphthalenedicarboxylic acid; 3-Chloro, mono-Me ester C14H11ClO7 326.01933 NA MeJP NA NA +MJ034629 5,7-Dihydroxy-6-oxo-6H-anthra[1,9-bc]thiophene-1-carboxylic acid; Me ester C17H10O5S 326.024894 NA MeJP NA NA +C04242 5-Fluorodeoxyuridine monophosphate C9H12FN2O8P 326.0315 NA KEGG NA NA +MetaCyc02867 F-dUMP [fluorodeoxyuridylate;5-fluorodeoxyuridine monophosphate;] C9H12N2O8F1P1 326.03153 NA metacyc NA NA +JH214 Taxifolin (=dihydroquercetin) [M+Na]+ NA 326.0394 14.15 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH214 Taxifolin (=dihydroquercetin) [M+Na]+ NA 326.0394 14.15 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH214 Taxifolin (=dihydroquercetin) [M+Na]+ NA 326.0394 14.15 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH214 Taxifolin (=dihydroquercetin) [M+Na]+ NA 326.0394 14.15 Inhousejuil11 NA NA +MJ034630 Gliotoxin C13H14N2O4S2 326.039498 NA MeJP NA NA +C10595 Glitoxin C13H14N2O4S2 326.0395 NA KEGG NA NA +FLIE2CNS0001 2-Hydroxyflemichapparin C;2-Hydroxy-3-methoxy-8,9-methylenedioxycoumestan C17H10O7 326.04265 35930-39-3 knapsack NA NA +FLIE2CNS0002 Tephrosol;3-Hydroxy-2-methoxy-8,9-methylenedioxycoumestan C17H10O7 326.04265 75656-29-0 knapsack NA NA +FLIE3CNS0001 Sophoracoumestan B;3-Hydroxy-4-methoxy-8,9-methylenedioxycoumestan C17H10O7 326.04265 79295-80-0 knapsack NA NA +MJ034631 2,3,8,9-Tetrahydroxycoumestan; 2-Me, 8,9-methylene ether C17H10O7 326.042652 NA MeJP NA NA +MJ034632 2,3,8,9-Tetrahydroxycoumestan; 3-Me, 8,9-methylene ether C17H10O7 326.042652 NA MeJP NA NA +MJ034633 3,4,8,9-Tetrahydroxycoumestan; 4-Me, 8,9-methylene ether C17H10O7 326.042652 NA MeJP NA NA +MJ034634 Araliolactone A C17H10O7 326.042652 NA MeJP NA NA +MJ034635 Araliorhamnone C C17H10O7 326.042652 NA MeJP NA NA +MJ034636 Austocystin F C17H10O7 326.042652 NA MeJP NA NA +MJ034637 Biruloquinone C17H10O7 326.042652 NA MeJP NA NA +MJ034638 Lomatin, O-Sulfate C14H14O7S 326.046023 NA MeJP NA NA +MJ034639 S,S'-Ethanediylcarbonodithioic acid; O,O-Bis(2-methylpropyl) ester C12H22O2S4 326.050262 NA MeJP NA NA +C04639 2,4-Dioxotetrahydropyrimidine D-ribonucleotide C9H15N2O9P 326.0515 NA KEGG NA NA +MetaCyc02868 a 2,4-dioxotetrahydropyrimidine D-ribonucleotide [] C9H15N2O9P1 326.051517 NA metacyc NA NA +MJ034640 ?-Glutamylmarasmine C10H18N2O6S2 326.060627 NA MeJP NA NA +MJ034641 Tifurac C18H14O4S 326.061279 NA MeJP NA NA +MJ034642 3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 3-O-(3,4,5-Trihydroxybenzoyl) C14H14O9 326.063782 NA MeJP NA NA +MJ034643 3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 5-O-(3,4,5-Trihydroxybenzoyl) C14H14O9 326.063782 NA MeJP NA NA +MJ034644 Tartaric acid, Mono(4-hydroxy-3-methoxycinnamoyl) C14H14O9 326.063782 NA MeJP NA NA +C02750 Sinapoyltartronate C14H14O9 326.0638 NA KEGG NA NA +C14235 Triphenyl phosphate C18H15O4P 326.0708 NA KEGG NA NA +C08555 Miraxanthin-II C13H14N2O8 326.075 NA KEGG NA NA +MJ034645 Miraxanthin II C13H14N2O8 326.075015 NA MeJP NA NA +MJ034646 3-(Hydroxymethyl)-1,4-dimethyl-3,6-bis(methylthio)-6-(phenylmethyl)-2,5-piperazinedione, Bis-N-de-Me C14H18N2O3S2 326.075883 NA MeJP NA NA +C10074 Jacareubin C18H14O6 326.079 NA KEGG NA NA +C17471 Ophiopogonone A C18H14O6 326.079 NA KEGG NA NA +FL3F1LNS0003 Millettocalyxin A;7-Methoxy-2-(6-methoxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one C18H14O6 326.07903 422308-55-2 knapsack NA NA +FL3F2CNS0002 6,7-Dimethoxy-3',4'-methylenedioxyflavone;Milletenin C;2-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-4H-1-benzopyran-4-one C18H14O6 326.07903 55303-89-4 knapsack NA NA +FL3F3CNS0001 7,8-Dimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-7,8-dimethoxy-4H-1-benzopyran-4-one C18H14O6 326.07903 486430-44-8 knapsack NA NA +FL3FDCNS0001 5,7-Dimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-5,7-dimethoxy-4H-1-benzopyran-4-one C18H14O6 326.07903 89029-12-9 knapsack NA NA +FL5F1CNS0007 Demethoxykanugin;2-(1,3-Benzodioxol-5-yl)-3,7-dimethoxy-4H-1-benzopyran-4-one C18H14O6 326.07903 1668-33-3 knapsack NA NA +FL5FE9NS0010 3,5-Dimethoxy-6,7-methylenedioxyflavone;7,9-Dimethoxy-6-phenyl-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one C18H14O6 326.07903 72357-36-9 knapsack NA NA +FLIA1LNS0008 Cuneatin methyl ether C18H14O6 326.07903 4253-00-3 knapsack NA NA +FLIA2CNS0003 Fujikinetin methyl ether C18H14O6 326.07903 2746-85-2 knapsack NA NA +FLIA2CNS0004 3',4'-Dimethoxy-6,7-methylenedioxyisoflavone C18H14O6 326.07903 61243-76-3 knapsack NA NA +FLIA3CNS0005 Maximaisoflavone D;7,8-Methylenedioxy-3',4'-dimethoxyisoflavone C18H14O6 326.07903 94413-08-8 knapsack NA NA +FLIA3CNS0007 7,8-Dimethoxy-3',4'-methylenedioxyisoflavone C18H14O6 326.07903 98668-61-2 knapsack NA NA +FLIADCNS0001 Derrustone;5,7-Dimethoxy-3',4'-methylenedioxyisoflavone C18H14O6 326.07903 22044-59-3 knapsack NA NA +FLIAE8NS0002 Tlatlancuayin;5,2-Dimethoxy-6,7-methylenedioxyisoflavone C18H14O6 326.07903 3743-44-0 knapsack NA NA +FLIAEANS0008 Irisolone methyl ether;5,4'-Dimethoxy-6,7-methylenedioxyisoflavone C18H14O6 326.07903 3405-76-3 knapsack NA NA +FLIFWYNM0002 Boeravinone A;6a,12a-Dehydro-9,11-dihydroxy-6-methoxy-10-methylrotenone C18H14O6 326.07903 114567-33-8 knapsack NA NA +FLNADCNS0002 5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin C18H14O6 326.07903 94345-23-0 knapsack NA NA +MJ034647 2',4',5',7-Tetrahydroxyisoflavone; 4',5'-Methylene, 2',7-Di-Me ether C18H14O6 326.079038 NA MeJP NA NA +MJ034648 2',5,6,7-Tetrahydroxyisoflavone; 2',5-Di-Me, 6,7-methylene ether C18H14O6 326.079038 NA MeJP NA NA +MJ034649 3',4',5,7-Tetrahydroxyisoflavone; 3',4'-Methylene, 5,7-di-Me ether C18H14O6 326.079038 NA MeJP NA NA +MJ034650 3',4',6,7-Tetrahydroxyflavone; 6,7-Di-Me, 3',4'-methylene ether C18H14O6 326.079038 NA MeJP NA NA +MJ034651 3',4',6,7-Tetrahydroxyisoflavone; 3',4'-Methylene, 6,7-di-Me ether C18H14O6 326.079038 NA MeJP NA NA +MJ034652 3',4',6,7-Tetrahydroxyisoflavone; 6,7-Methylene, 3',4'-di-Me ether C18H14O6 326.079038 NA MeJP NA NA +MJ034653 3',4',7,8-Tetrahydroxyisoflavone; 3',4'-Methylene, 7,8-di-Me ether C18H14O6 326.079038 NA MeJP NA NA +MJ034654 3',4',7,8-Tetrahydroxyisoflavone; 7,8-Methylene 3',4'-di-Me ether C18H14O6 326.079038 NA MeJP NA NA +MJ034655 3,3',4',7-Tetrahydroxyflavone; 3',4'-Methylene, 3,7-di-Me ether C18H14O6 326.079038 NA MeJP NA NA +MJ034656 3,5,6,7-Tetrahydroxyflavone; 3,5-Di-Me, 6,7-methylene ether C18H14O6 326.079038 NA MeJP NA NA +MJ034657 3,8-Dihydroxy-1-propylanthraquinone-2-carboxylic acid C18H14O6 326.079038 NA MeJP NA NA +MJ034658 4',5-Dihydroxy-6,7-methylenedioxyisoflavone; Di-Me ether C18H14O6 326.079038 NA MeJP NA NA +MJ034659 4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 3',4'-Methylene, 5,7-di-Me ether C18H14O6 326.079038 NA MeJP NA NA +MJ034660 5,7-Dihydroxy-3',4'-methylenedioxyflavone; Di-Me ether C18H14O6 326.079038 NA MeJP NA NA +MJ034661 6,11-Dihydroxy-3,3-dimethyl-3H,7H-pyrano[2,3-c]xanthen-7-one; 8-Hydroxy C18H14O6 326.079038 NA MeJP NA NA +MJ034662 Aristolide C C18H14O6 326.079038 NA MeJP NA NA +MJ034663 Boeravinone B; 6-Me ether C18H14O6 326.079038 NA MeJP NA NA +MJ034664 Cinfenoac C18H14O6 326.079038 NA MeJP NA NA +MJ034665 Dermoquinone C18H14O6 326.079038 NA MeJP NA NA +MJ034666 Fluostatin A; 2,3-Dihydro, 2-hydroxy, 1?-alcohol C18H14O6 326.079038 NA MeJP NA NA +MJ034667 Forbexanthone; O-De-Me C18H14O6 326.079038 NA MeJP NA NA +MJ034668 Isojacareubin C18H14O6 326.079038 NA MeJP NA NA +MJ034669 Isoophiopogonone A C18H14O6 326.079038 NA MeJP NA NA +MJ034670 Jacareubin C18H14O6 326.079038 NA MeJP NA NA +MJ034671 Ligustrone A; 8,9-Dihydro, 8-hydroxy C18H14O6 326.079038 NA MeJP NA NA +MJ034672 Ophiopogonone A C18H14O6 326.079038 NA MeJP NA NA +MJ034673 Osajaxanthone; 4-Hydroxy C18H14O6 326.079038 NA MeJP NA NA +MJ034674 Sterigmatocystin; 1,2-Dihydro C18H14O6 326.079038 NA MeJP NA NA +MJ034675 Toxyloxanthone B C18H14O6 326.079038 NA MeJP NA NA +MetaCyc02869 dihydrosterigmatocystin [] C18H14O6 326.079038 NA metacyc NA NA +C15224 Tributyltin chloride C12H27ClSn 326.0823 NA KEGG NA NA +C15225 Mancozeb C12H27ClSn 326.0823 NA KEGG NA NA +MJ034676 2-O-?-D-Glucopyranuronosyl-D-lyxose C11H18O11 326.084911 NA MeJP NA NA +MJ034677 2-O-?-D-Glucopyranuronosyl-D-xylose C11H18O11 326.084911 NA MeJP NA NA +MJ034678 3-O-?-D-Glucopyranuronosyl-D-xylose C11H18O11 326.084911 NA MeJP NA NA +MJ034679 4-O-?-D-Galactopyranuronosyl-D-xylose C11H18O11 326.084911 NA MeJP NA NA +MJ034680 5-O-?-D-Glucopyranuronosyl-L-arabinose C11H18O11 326.084911 NA MeJP NA NA +MJ034681 Cadeguomycin C12H14N4O7 326.086248 NA MeJP NA NA +MJ034682 6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-(Hydroxyacetyl) C17H14N2O5 326.090271 NA MeJP NA NA +MJ034683 Toddalolactone; 3'-Deoxy, 3'-chloro C16H19ClO5 326.092101 NA MeJP NA NA +MJ034684 Carpetimycin A; S-Deoxy C14H18N2O5S 326.093642 NA MeJP NA NA +MJ034685 Carpetimycin X C14H18N2O5S 326.093642 NA MeJP NA NA +MJ034686 Brasofensine C16H20Cl2N2O 326.095268 NA MeJP NA NA +MJ034687 1-O-p-Coumaroylglucose; ?-D-form C15H18O8 326.100167 NA MeJP NA NA +MJ034688 2-Hydroxyneomajucin; 2-Ketone C15H18O8 326.100167 NA MeJP NA NA +MJ034689 2-Oxo-3-phenylpropanoic acid, O-?-D-Glucopyranoside C15H18O8 326.100167 NA MeJP NA NA +MJ034690 3-(2-Hydroxyphenyl)-2-propenoic acid, O-?-D-Glucopyranoside C15H18O8 326.100167 NA MeJP NA NA +MJ034691 3-(4-Hydroxyphenyl)-2-propenoic acid, O-?-D-Glucopyranoside C15H18O8 326.100167 NA MeJP NA NA +MJ034692 6-O-p-Coumaroylglucose C15H18O8 326.100167 NA MeJP NA NA +MJ034693 Allamancin C15H18O8 326.100167 NA MeJP NA NA +MJ034694 Bilobalide A C15H18O8 326.100167 NA MeJP NA NA +MJ034695 Neoliacinic acid C15H18O8 326.100167 NA MeJP NA NA +MJ034696 Rhamnose, 1-O-(3,4-Dihydroxycinnamoyl) C15H18O8 326.100167 NA MeJP NA NA +MJ034697 myo-Inositol; 6-O-(4-Hydroxy-Z-cinnamoyl) C15H18O8 326.100167 NA MeJP NA NA +MJ034698 cis-beta-D-Glucosyl-2-hydroxycinnamate C15H18O8 326.100167 NA MeJP NA NA +MJ034699 trans-beta-D-Glucosyl-2-hydroxycinnamate C15H18O8 326.100167 NA MeJP NA NA +MetaCyc02870 trans-β-D-Glucosyl-2-hydroxycinnamate [β-D-Glucosyl-2-coumarate;] C15H18O8 326.100168 NA metacyc NA NA +MetaCyc02871 4-O-β-D-glucosyl-4-hydroxycinnamate [] C15H18O8 326.100168 NA metacyc NA NA +MetaCyc02872 coumarinic acid-β-D-glucoside [coumarinic acid glucoside;coumarinate glucoside;] C15H18O8 326.100168 NA metacyc NA NA +C04415 4-O-beta-D-Glucosyl-4-hydroxycinnamate C15H18O8 326.1002 NA KEGG NA NA +C05158 trans-beta-D-Glucosyl-2-hydroxycinnamate C15H18O8 326.1002 NA KEGG NA NA +C05159 6-(2,6-Bis[N-acetyl-beta-D-glucosaminyl]-alpha-D-mannosyl)-beta-D- C28H47N2O21R 326.1002 NA KEGG NA NA +C05839 cis-beta-D-Glucosyl-2-hydroxycinnamate C15H18O8 326.1002 NA KEGG NA NA +C06739 4'-O-beta-D-Glucosyl-cis-p-coumarate C15H18O8 326.1002 NA KEGG NA NA +C07605 Bilobalide C15H18O8 326.1002 NA KEGG NA NA +C16827 p-Coumaroyl-D-glucose C15H18O8 326.1002 NA KEGG NA NA +MJ034700 1-(2,4-Dichlorobenzyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine C15H20Cl2N4 326.106502 NA MeJP NA NA +C08548 Humilixanthin C14H18N2O7 326.1114 NA KEGG NA NA +MJ034701 N-Alanylthreonine; L-L-form, N-(2,3-Dihydroxybenzoyl) C14H18N2O7 326.1114 NA MeJP NA NA +MJ034702 Vulgaxanthin II; 5-Alcohol C14H18N2O7 326.1114 NA MeJP NA NA +MJ034703 Ethyl 8-azido-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate C15H14N6O3 326.112738 NA MeJP NA NA +C17474 Methylophiopogonone B C19H18O5 326.1154 NA KEGG NA NA +FL3FCBNM0002 Eucalyptin;4',7-Dimethoxy-6,8-dimethyl-5-hydroxyflavone;5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4H-1-benzopyran-4-one C19H18O5 326.11542 3122-88-1 knapsack NA NA +MJ034704 1,3,5-Trihydroxy-2-prenylxanthone; 3-Me ether C19H18O5 326.115423 NA MeJP NA NA +MJ034705 1,3,6-Trihydroxy-2-(3-methyl-2-butenyl)-9H-xanthen-9-one; 3-Me ether C19H18O5 326.115423 NA MeJP NA NA +MJ034706 1,3,6-Trihydroxy-8-(3-methylbutyl)anthraquinone C19H18O5 326.115423 NA MeJP NA NA +MJ034707 1,3,6-Trihydroxy-8-pentylanthraquinone C19H18O5 326.115423 NA MeJP NA NA +MJ034708 1,3,7-Trihydroxy-2-prenylxanthone; 3-Me ether C19H18O5 326.115423 NA MeJP NA NA +MJ034709 1,3,8-Trihydroxy-6-methylxanthone; 3-O-(3-Methyl-2-butenyl) C19H18O5 326.115423 NA MeJP NA NA +MJ034710 1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1'-Butyl ether C19H18O5 326.115423 NA MeJP NA NA +MJ034711 1,5-Bis(3,4-dihydroxyphenyl)-1,4-pentadien-3-one, 3',3''-Di-Me ether C19H18O5 326.115423 NA MeJP NA NA +MJ034712 15,16-Epoxy-19-nor-4,6,13(16),14-clerodatetraene-18,6:20,12-diolide C19H18O5 326.115423 NA MeJP NA NA +MJ034713 2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-3-methylbenzofuran, 3',4'-Methylene ether C19H18O5 326.115423 NA MeJP NA NA +MJ034714 4',5,7-Trihydroxy-6,8-dimethylflavone; 4',7-Di-Me ether C19H18O5 326.115423 NA MeJP NA NA +MJ034715 5,6-Dimethoxy-2-methyl-3-(3,4-methylenedioxyphenyl)indenone; 2,3-Dihydro (cis-) C19H18O5 326.115423 NA MeJP NA NA +MJ034716 7-Hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one; O-(3-Methyl-2-butenoyl) C19H18O5 326.115423 NA MeJP NA NA +MJ034717 Ailanthoidol C19H18O5 326.115423 NA MeJP NA NA +MJ034718 Chrysodin C19H18O5 326.115423 NA MeJP NA NA +MJ034719 Crotocaudin C19H18O5 326.115423 NA MeJP NA NA +MJ034720 Egonol C19H18O5 326.115423 NA MeJP NA NA +MJ034721 Ethyl 2-methyl-2-[(9-oxo-9H-xanthen-3-yl)oxy]propanoate C19H18O5 326.115423 NA MeJP NA NA +MJ034722 Excavatin D C19H18O5 326.115423 NA MeJP NA NA +MJ034723 Geiparvarin C19H18O5 326.115423 NA MeJP NA NA +MJ034724 Globuxanthone; 1-Me ether C19H18O5 326.115423 NA MeJP NA NA +MJ034725 Harringtonolide; 12-Hydroxy C19H18O5 326.115423 NA MeJP NA NA +MJ034726 Kanglemycin C C19H18O5 326.115423 NA MeJP NA NA +MJ034727 Methylophiopogonone B C19H18O5 326.115423 NA MeJP NA NA +MJ034728 Moracin N; 4''-Hydroxy C19H18O5 326.115423 NA MeJP NA NA +MJ034729 Moracin O C19H18O5 326.115423 NA MeJP NA NA +MJ034730 Moracin P C19H18O5 326.115423 NA MeJP NA NA +MJ034731 Scriblitifolic acid, 8-Deoxy C19H18O5 326.115423 NA MeJP NA NA +MJ034732 Tanshinone II; 3?,17-Dihydroxy C19H18O5 326.115423 NA MeJP NA NA +MJ034733 Unguinol C19H18O5 326.115423 NA MeJP NA NA +MJ034734 Topsentin A C20H14N4O 326.116761 NA MeJP NA NA +MJ034735 2-O-?-D-Galactopyranosyl-L-rhamnose C12H22O10 326.121296 NA MeJP NA NA +MJ034736 2-O-?-D-Glucopyranosyl-L-rhamnose C12H22O10 326.121296 NA MeJP NA NA +MJ034737 2-O-?-L-Rhamnopyranosyl-D-galactose C12H22O10 326.121296 NA MeJP NA NA +MJ034738 2-O-?-D-Galactopyranosyl-L-rhamnose C12H22O10 326.121296 NA MeJP NA NA +MJ034739 2-O-?-D-Glucopyranosyl-D-xylose; 4-Me C12H22O10 326.121296 NA MeJP NA NA +MJ034740 2-O-?-L-Fucopyranosyl-D-galactose C12H22O10 326.121296 NA MeJP NA NA +MJ034741 2-O-?-L-Rhamnopyranosyl-D-galactose C12H22O10 326.121296 NA MeJP NA NA +MJ034742 2-O-?-L-Rhamnopyranosyl-D-glucose C12H22O10 326.121296 NA MeJP NA NA +MJ034743 3-O-?-D-Glucopyranosyl-L-fucose C12H22O10 326.121296 NA MeJP NA NA +MJ034744 3-O-?-D-Glucopyranosyl-L-rhamnose C12H22O10 326.121296 NA MeJP NA NA +MJ034745 3-O-?-D-Glucopyranosyl-L-rhamnose; ?-Pyranose-form C12H22O10 326.121296 NA MeJP NA NA +MJ034746 3-O-?-L-Rhamnopyranosyl-D-galactose C12H22O10 326.121296 NA MeJP NA NA +MJ034747 4-O-?-D-Galactopyranosyl-L-fucose C12H22O10 326.121296 NA MeJP NA NA +MJ034748 4-O-?-D-Galactopyranosyl-L-rhamnose C12H22O10 326.121296 NA MeJP NA NA +MJ034749 4-O-?-D-Glucopyranosyl-L-fucose C12H22O10 326.121296 NA MeJP NA NA +MJ034750 4-O-?-D-Glucopyranosyl-L-rhamnose C12H22O10 326.121296 NA MeJP NA NA +MJ034751 4-O-?-D-Mannopyranosyl-L-rhamnose C12H22O10 326.121296 NA MeJP NA NA +MJ034752 4-O-?-D-Galactopyranosyl-L-rhamnose C12H22O10 326.121296 NA MeJP NA NA +MJ034753 4-O-?-D-Mannopyranosyl-L-rhamnose C12H22O10 326.121296 NA MeJP NA NA +MJ034754 4-O-?-L-Rhamnopyranosyl-D-glucose C12H22O10 326.121296 NA MeJP NA NA +MJ034755 6-Deoxy-3-O-?-D-galactopyranosyl-D-gulose C12H22O10 326.121296 NA MeJP NA NA +MJ034756 6-O-?-D-Fructofuranosyl-2-deoxy-D-glucose C12H22O10 326.121296 NA MeJP NA NA +MJ034757 6-O-?-L-Fucopyranosyl-D-galactose C12H22O10 326.121296 NA MeJP NA NA +MJ034758 6-O-?-L-Rhamnopyranosyl-D-galactose C12H22O10 326.121296 NA MeJP NA NA +MJ034759 6-O-?-L-Rhamnopyranosyl-D-glucose C12H22O10 326.121296 NA MeJP NA NA +MJ034760 Erycordinobiose C12H22O10 326.121296 NA MeJP NA NA +MJ034761 Eryscenobiose C12H22O10 326.121296 NA MeJP NA NA +MJ034762 muco-Quercitol; 4-O-?-D-Glucopyranoside C12H22O10 326.121296 NA MeJP NA NA +C08244 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose C12H22O10 326.1213 NA KEGG NA NA +C08246 Robinobiose C12H22O10 326.1213 NA KEGG NA NA +C08247 Rutinose C12H22O10 326.1213 NA KEGG NA NA +HMDB06590 2-O-a-L-Fucopyranosyl-galactose C12H22O10 326.121307 NA HMDB2010 NA NA +HMDB06701 3-O-a-L-Fucopyranosyl-D-glucose C12H22O10 326.121307 NA HMDB2010 NA NA +HMDB06590 2-O-alpha-L-fucopyranosyl- Galactose C12H22O10 326.12131 http://www.hmdb.ca/metabolites/HMDB06590 HMDB NA NA +HMDB06701 3-O-alpha-L-Fucopyranosyl-D-glucose C12H22O10 326.12131 http://www.hmdb.ca/metabolites/HMDB06701 HMDB NA NA +HMDB06590 2-O-alpha-L-fucopyranosyl- Galactose C12H22O10 326.12131 HMDB06590 PFEM_hmdb_metabocards_official NA NA +HMDB06701 3-O-alpha-L-Fucopyranosyl-D-glucose C12H22O10 326.12131 HMDB06701 PFEM_hmdb_metabocards_official NA NA +C04332 6,7-Dimethyl-8-(1-D-ribityl)lumazine C13H18N4O6 326.1226 NA KEGG NA NA +HMDB03826 6,7-Dimethyl-8-(1-D-ribityl)lumazine C13H18N4O6 326.12262 NA HMDB2010 NA NA +MetaCyc02873 6,7-dimethyl-8-(1-D-ribityl)lumazine [] C13H18N4O6 326.122634 NA metacyc NA NA +MJ034763 Erymelanthine; 8-Oxo C18H18N2O4 326.126657 NA MeJP NA NA +MJ034764 Mactanamide C18H18N2O4 326.126657 NA MeJP NA NA +MJ034765 Plicane C18H18N2O4 326.126657 NA MeJP NA NA +MJ034766 Etomoxir C17H23ClO4 326.128486 NA MeJP NA NA +C06924 Clozapine C18H19ClN4 326.1298 NA KEGG NA NA +C06925 Colestipol C18H19ClN4 326.1298 NA KEGG NA NA +MJ034767 3-[[4-(4-Chlorophenyl)-1-piperazinyl]methyl]-1H-pyrrolo[2,3-b]pyridine C18H19ClN4 326.129824 NA MeJP NA NA +MJ034768 Clozapine C18H19ClN4 326.129824 NA MeJP NA NA +MJ034769 Hydroxyhexamide C15H22N2O4S 326.130027 NA MeJP NA NA +C15056 2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate C20H19FO3 326.1318 NA KEGG NA NA +MJ034770 Diciferron C19H26FeO 326.133307 NA MeJP NA NA +PJ000315 GNH C12H18N6O5 326.1339 NA PeJP NA NA +MJ034771 1-(2,4,5-Trihydroxyphenyl)-1,2-propanediol; 2',4',5'-Tri-Me ether, 1,2-di-Ac C16H22O7 326.136553 NA MeJP NA NA +MJ034772 2-Hydroxy-4(6)-isopropyl-2,4,6-cycloheptatrien-1-one; 1-O-?-D-Glucopyranoside C16H22O7 326.136553 NA MeJP NA NA +MJ034773 2-Methoxy-4-(1-propenyl)phenol, O-?-D-Glucopyranoside C16H22O7 326.136553 NA MeJP NA NA +MJ034774 2-Methoxy-4-(2-propenyl)phenol; O-?-D-Glucopyranoside C16H22O7 326.136553 NA MeJP NA NA +MJ034775 3-(4-Hydroxyphenyl)-2-propen-1-ol, 1-Me ether, 4'-O-?-D-glucopyranoside C16H22O7 326.136553 NA MeJP NA NA +MJ034776 3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-Me ether, 1-O-?-D-glucopyranoside C16H22O7 326.136553 NA MeJP NA NA +MJ034777 4-(4-Hydroxyphenyl)-2-butanone; O-?-D-Glucopyranoside C16H22O7 326.136553 NA MeJP NA NA +MJ034778 6-Acetyl-3,4,5,7,8-pentahydroxy-2,2-dimethyl-2H-1-benzopyran, 5,7,8-Tri-Me ether C16H22O7 326.136553 NA MeJP NA NA +MJ034779 9-Hydroxy-11,15-dioxo-2,3,18,19-tetranor-5-prosten-1,20-dioic acid C16H22O7 326.136553 NA MeJP NA NA +MJ034780 Hyptolide; 3'-O-De-Ac, 5'-epimer C16H22O7 326.136553 NA MeJP NA NA +MJ034781 Macrosphelide A; 4-Epimer, 15-deoxy C16H22O7 326.136553 NA MeJP NA NA +MJ034782 Macrosphelide A; 9-Deoxy C16H22O7 326.136553 NA MeJP NA NA +MJ034783 Tutin; 8,9-Dihydro, 8-hydroxy, O2-Me C16H22O7 326.136553 NA MeJP NA NA +C15451 Hinokitiol glucoside C16H22O7 326.1366 NA KEGG NA NA +MJ034784 Cryptowoline C19H20NO4 326.139233 NA MeJP NA NA +C13235 Procaterol hydrochloride C16H22N2O3 326.1397 NA KEGG NA NA +C13236 Transferred to D01768 C16H22N2O3 326.1397 NA KEGG NA NA +C13237 Transferred to D01769 C16H22N2O3 326.1397 NA KEGG NA NA +C13238 Transferred to D01770 C16H22N2O3 326.1397 NA KEGG NA NA +C13239 Transferred to D01771 C16H22N2O3 326.1397 NA KEGG NA NA +MJ034785 3-(1-Piperidinyl)propyl 4-amino-5-chloro-2-methoxybenzoate C16H23ClN2O3 326.13972 NA MeJP NA NA +MJ034786 Delfantrine C14H22N4O3S 326.141261 NA MeJP NA NA +MJ034787 Acepromazine C19H22N2OS 326.145284 NA MeJP NA NA +MJ034788 Aceprometazine C19H22N2OS 326.145284 NA MeJP NA NA +MJ034789 Tiazesim C19H22N2OS 326.145284 NA MeJP NA NA +7642 ACE inhibitor from porcine myosin (80-82) NPP 326.1469 antioxidative Inhouse_peptide NA peptide +MJ034790 Nipradilol C15H22N2O6 326.147786 NA MeJP NA NA +10 Myosin NPP 326.148 celiac toxic Inhouse_peptide NA peptide +MJ034791 Dazopride C15H23ClN4O2 326.150953 NA MeJP NA NA +C09002 8-(3,3-Dimethylallyl)spatheliachromene C20H22O4 326.1518 NA KEGG NA NA +C09031 Pulverochromenol C20H22O4 326.1518 NA KEGG NA NA +C09976 Uncinatone C20H22O4 326.1518 NA KEGG NA NA +C10550 Dehydrodieugenol C20H22O4 326.1518 NA KEGG NA NA +C10650 Licarin A C20H22O4 326.1518 NA KEGG NA NA +FL1DA9NI0001 2',4',6'-Trihydroxy-3'-prenyldihydrochalcone C20H22O4 326.1518 96552-64-6 knapsack NA NA +FL1DA9NI0003 2',6'-Dihydroxy-4'-prenyloxydihydrochalcone C20H22O4 326.1518 77129-37-4 knapsack NA NA +FL631ANI0001 Broussinol C20H22O4 326.1518 90902-19-5 knapsack NA NA +FL6FUNNI0001 (+)-Acutifolin A;Acutifolin A;(1R,5R,8R)-rel-(+)-5-Hydroxy-8-(4-hydroxyphenyl)-1-(3-methyl-2-butenyl)bicyclo[3.3.1]non-3-ene-2,9-dione C20H22O4 326.1518 350221-53-3 knapsack NA NA +FLIC1LNF0002 Cyclomillinol;(3R)-2'',3''-Dihydro-2'',3'',3''-trimethyl-2',4'-dihydroxyfurano[4'',5'':6,7]isoflavan C20H22O4 326.1518 121747-87-3 knapsack NA NA +MJ034792 1,7,8,12b-Tetrahydro-2,2,4-trimethyl-2H-benzo[6,7]cyclohepta[1,2,3-de][1]benzopyran-5,10,11-triol C20H22O4 326.151809 NA MeJP NA NA +MJ034793 1,7,8,12b-Tetrahydro-2,2,4-trimethyl-2H-benzo[6,7]cyclohepta[1,2,3-de][1]benzopyran-5,9,10-triol C20H22O4 326.151809 NA MeJP NA NA +MJ034794 2',4',7-Trihydroxy-6-prenylisoflavan C20H22O4 326.151809 NA MeJP NA NA +MJ034795 2,4-Dihydroxy-6-(2-phenylethyl)-3-prenylbenzoic acid C20H22O4 326.151809 NA MeJP NA NA +MJ034796 2,7,12-Trihydroxy-13-methyl-20-nor-1,5,7,9,11,13-podocarpahexaen-3-one; Tri-Me ether C20H22O4 326.151809 NA MeJP NA NA +MJ034797 3',4,4',5-Tetrahydroxy-2,7'-cyclolignan, 4,5-Methylene, 3'-Me ether C20H22O4 326.151809 NA MeJP NA NA +MJ034798 3,4',7-Trihydroxy-3'-prenylflavan C20H22O4 326.151809 NA MeJP NA NA +MJ034799 3,4,9,10-Tetrahydro-2-(4-hydroxyphenyl)-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-ol C20H22O4 326.151809 NA MeJP NA NA +MJ034800 3,4:3',4'-Bis(methylenedioxy)lignan C20H22O4 326.151809 NA MeJP NA NA +MJ034801 3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4'-O-(3-Methyl-2-butenyl) C20H22O4 326.151809 NA MeJP NA NA +MJ034802 3-Phenyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone C20H22O4 326.151809 NA MeJP NA NA +MJ034803 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5-triol, 3',5-Di-Me ether C20H22O4 326.151809 NA MeJP NA NA +MJ034804 4-Methoxy-2-oxatricyclo[13.2.2.13,7]eicosa-3,5,7(20),8,15,17,18-heptaene-5,10-diol C20H22O4 326.151809 NA MeJP NA NA +MJ034805 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 10'-Oxo C20H22O4 326.151809 NA MeJP NA NA +MJ034806 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 5',10'-Epoxy C20H22O4 326.151809 NA MeJP NA NA +MJ034807 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 10'-Oxo C20H22O4 326.151809 NA MeJP NA NA +MJ034808 5'-(1,1-Dimethyl-2-propenyl)-2',4',7-trihydroxyisoflavan C20H22O4 326.151809 NA MeJP NA NA +MJ034809 5,5-Diisopropyl-2,2'-dimethylbiphenyl-3,3',4,4'-tetrone C20H22O4 326.151809 NA MeJP NA NA +MJ034810 5-Hydroxy-1,7-bis(4-hydroxyphenyl)-3-heptanone, 1,2-Didehydro(E-), 5-Me ether C20H22O4 326.151809 NA MeJP NA NA +MJ034811 5-Hydroxy-2,2,8-trimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one C20H22O4 326.151809 NA MeJP NA NA +MJ034812 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(3,7-Dimethyl-2,5,7-octatrienyl), 8-Me ether C20H22O4 326.151809 NA MeJP NA NA +MJ034813 8-(3,7-Dimethyl-2,6-octadienyl)-2,7-dihydroxy-1,4-naphthoquinone C20H22O4 326.151809 NA MeJP NA NA +MJ034814 Ajuforrestine A; 15,16-Dihydro C20H22O4 326.151809 NA MeJP NA NA +MJ034815 Allopteroxylin; 6-(3-Methyl-2-butenyl) C20H22O4 326.151809 NA MeJP NA NA +MJ034816 Alnusdiol; 3-Hydroxy, 11-deoxy, 9-ketone, 2-Me ether C20H22O4 326.151809 NA MeJP NA NA +MJ034817 Brosimine A C20H22O4 326.151809 NA MeJP NA NA +MJ034818 Carinatidin; 2?,3?-Dihydro C20H22O4 326.151809 NA MeJP NA NA +MJ034819 Conoidene C20H22O4 326.151809 NA MeJP NA NA +MJ034820 Cyclomillinol C20H22O4 326.151809 NA MeJP NA NA +MJ034821 Dehydrodieugenol C20H22O4 326.151809 NA MeJP NA NA +MJ034822 Dehydroguaiaretic acid; 7?,8?-Dihydro C20H22O4 326.151809 NA MeJP NA NA +MJ034823 Dipetaline C20H22O4 326.151809 NA MeJP NA NA +MJ034824 Erycristanol C C20H22O4 326.151809 NA MeJP NA NA +MJ034825 Galeon C20H22O4 326.151809 NA MeJP NA NA +MJ034826 Garveatin B C20H22O4 326.151809 NA MeJP NA NA +MJ034827 Gingerenone A; 3''-Demethoxy C20H22O4 326.151809 NA MeJP NA NA +MJ034828 Liliflol B C20H22O4 326.151809 NA MeJP NA NA +MJ034829 Millinol C20H22O4 326.151809 NA MeJP NA NA +MJ034830 Neomillinol C20H22O4 326.151809 NA MeJP NA NA +MJ034831 Nordentatin; Me ether C20H22O4 326.151809 NA MeJP NA NA +MJ034832 Otobaphenol C20H22O4 326.151809 NA MeJP NA NA +MJ034833 Piloselloidal C20H22O4 326.151809 NA MeJP NA NA +MJ034834 Preracemosol B C20H22O4 326.151809 NA MeJP NA NA +MJ034835 Pulverochromenol C20H22O4 326.151809 NA MeJP NA NA +MJ034836 Sapriparaquinone; 1,2-Didehydro, 3-oxo C20H22O4 326.151809 NA MeJP NA NA +MJ034837 Sapriparaquinone; 3,4-Didehydro, 16-aldehyde C20H22O4 326.151809 NA MeJP NA NA +MJ034838 Sapriparaquinone; 4,18-Didehydro, 1-oxo C20H22O4 326.151809 NA MeJP NA NA +MJ034839 Sapriparaquinone; 4,18-Didehydro, 3-oxo C20H22O4 326.151809 NA MeJP NA NA +MJ034840 Spiranthol C C20H22O4 326.151809 NA MeJP NA NA +MJ034841 Triptophenolide; 7-Oxo C20H22O4 326.151809 NA MeJP NA NA +MJ034842 Triptoquinonide C20H22O4 326.151809 NA MeJP NA NA +MJ034843 Uncinatone C20H22O4 326.151809 NA MeJP NA NA +PJ000316 PPN C14H22N4O5 326.159 NA PeJP NA NA +C08522 Caribine C19H22N2O3 326.163 NA KEGG NA NA +MJ034844 Aspidochibine C19H22N2O3 326.163042 NA MeJP NA NA +MJ034845 Bumadizone C19H22N2O3 326.163042 NA MeJP NA NA +MJ034846 Caribine C19H22N2O3 326.163042 NA MeJP NA NA +MJ034847 Ervatinine C19H22N2O3 326.163042 NA MeJP NA NA +MJ034848 Gelsedine; 4,20-Didehydro C19H22N2O3 326.163042 NA MeJP NA NA +MJ034849 Leuconolam C19H22N2O3 326.163042 NA MeJP NA NA +MJ034850 Terengganensine A C19H22N2O3 326.163042 NA MeJP NA NA +MJ034851 Voaharine C19H22N2O3 326.163042 NA MeJP NA NA +MJ034852 C-Alkaloid UB C19H23N2O3(+) 326.163042 NA MeJP NA NA +MJ034853 1,2,13-Trihydroxy-4-oxo-12,6-pseudoguaianolide, 2,13-Di-Me ether C17H26O6 326.172938 NA MeJP NA NA +MJ034854 2,3,4,10-Tetrahydroxy-1(5)-guaien-12,6-olide, 2,10-Di-Me ether C17H26O6 326.172938 NA MeJP NA NA +MJ034855 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro, 2-Ac C17H26O6 326.172938 NA MeJP NA NA +MJ034856 Botryaloic acid; 4-Ac C17H26O6 326.172938 NA MeJP NA NA +MJ034857 Deacetyldihydrobotrydial; 15-Oxo, 4-Ac C17H26O6 326.172938 NA MeJP NA NA +MJ034858 Doliculol A C17H26O6 326.172938 NA MeJP NA NA +MJ034859 Naematolin C C17H26O6 326.172938 NA MeJP NA NA +MJ034860 Neovasipyrone A C17H26O6 326.172938 NA MeJP NA NA +MJ034861 Etymemazine C20H26N2S 326.181669 NA MeJP NA NA +MJ034862 1,11-Di-3-furanyl-4,8-dimethyl-1,4,8-undecatrien-6-ol C21H26O3 326.188194 NA MeJP NA NA +MJ034863 1,11-Di-3-furanyl-4,8-dimethyl-1,5,8-undecatrien-4-ol C21H26O3 326.188194 NA MeJP NA NA +MJ034864 12-Hydroxypregna-4,6,16-triene-3,20-dione C21H26O3 326.188194 NA MeJP NA NA +MJ034865 17(15?16)-Abeo-17-oxo-8,11,13,15-abietatetraen-19-oic acid, Me ester C21H26O3 326.188194 NA MeJP NA NA +MJ034866 20-Hydroxy-3-oxopregn-4-en-18-oic acid ?-lactone, 6,7-Didehydro C21H26O3 326.188194 NA MeJP NA NA +MJ034867 3-Oxopregna-4,6-dien-18,20-olide C21H26O3 326.188194 NA MeJP NA NA +MJ034868 5,6-Secofuranoeremophila-1(10),2,4-trien-6-ol; 3-Methyl-2-pentenoyl C21H26O3 326.188194 NA MeJP NA NA +MJ034869 Acitretin C21H26O3 326.188194 NA MeJP NA NA +MJ034870 Buparvaquone C21H26O3 326.188194 NA MeJP NA NA +MJ034871 Cordiaquinone A C21H26O3 326.188194 NA MeJP NA NA +MJ034872 Cyclofurospongin 2 C21H26O3 326.188194 NA MeJP NA NA +MJ034873 Cyclorenierin A C21H26O3 326.188194 NA MeJP NA NA +MJ034874 Docebenone C21H26O3 326.188194 NA MeJP NA NA +MJ034875 Frondosin D C21H26O3 326.188194 NA MeJP NA NA +MJ034876 Furospongin 1; 10,11E-Didehydro, 9-ketone C21H26O3 326.188194 NA MeJP NA NA +MJ034877 Furospongin 1; 10,11E-Didehydro, ?7-isomer (E-), 9-ketone C21H26O3 326.188194 NA MeJP NA NA +MJ034878 Furospongin 1; 10,11E-Didehydro, ?7-isomer (Z-), 9-ketone C21H26O3 326.188194 NA MeJP NA NA +MJ034879 Furospongin 1; 10,11Z-Didehydro, 9-ketone C21H26O3 326.188194 NA MeJP NA NA +MJ034880 Furospongin 1; 10,11Z-Didehydro, ?7-isomer (Z-), 9-ketone C21H26O3 326.188194 NA MeJP NA NA +MJ034881 Furospongin 5 C21H26O3 326.188194 NA MeJP NA NA +MJ034882 Hannokinol, 4'-Deoxy, 1,2-didehydro(E-), 3-Et ether C21H26O3 326.188194 NA MeJP NA NA +MJ034883 Malabaricone A C21H26O3 326.188194 NA MeJP NA NA +MJ034884 Moxestrol C21H26O3 326.188194 NA MeJP NA NA +MJ034885 Octabenzone C21H26O3 326.188194 NA MeJP NA NA +MJ034886 Pregna-4,16-diene-3,12,20-trione C21H26O3 326.188194 NA MeJP NA NA +MJ034887 Puupehedione C21H26O3 326.188194 NA MeJP NA NA +MJ034888 Taxamairin G C21H26O3 326.188194 NA MeJP NA NA +MJ034889 Triptophenolide; Me ether C21H26O3 326.188194 NA MeJP NA NA +MJ034890 Untenospongin C C21H26O3 326.188194 NA MeJP NA NA +HMDB03039 Isoacitretin C21H26O3 326.1882 http://www.hmdb.ca/metabolites/HMDB03039 HMDB NA NA +C01349 AA861 C21H26O3 326.1882 NA KEGG NA NA +C14757 Moxestrol C21H26O3 326.1882 NA KEGG NA NA +C15146 Pregna-4,16-diene-3,11,20-trione C21H26O3 326.1882 NA KEGG NA NA +HMDB03039 Isoacitretin C21H26O3 326.1882 HMDB03039 PFEM_hmdb_metabocards_official NA NA +HMDB03039 Isoacitretin C21H26O3 326.188202 NA HMDB2010 NA NA +EUR383 Cortisol F3 F3 326.191175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR383 Cortisol F3 NA 326.191175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR383 Cortisol F3 F3 326.191175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR383 Cortisol F3 NA 326.191175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR383 Cortisol F3 F3 326.191175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR383 Cortisol F3 NA 326.191175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR383 Cortisol F3 F3 326.191175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR383 Cortisol F3 F3 326.191175 standards wishlist analysés sur QTOF HMDB NA NA +EUR383 Cortisol F3 F3 326.191175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR383 Cortisol F3 NA 326.191175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR383 Cortisol F3 F3 326.191175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR383 Cortisol F3 F3 326.191175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C06542 Ajmaline C20H26N2O2 326.1994 NA KEGG NA NA +C09217 Isoajmaline C20H26N2O2 326.1994 NA KEGG NA NA +C10696 Hydroquinidine C20H26N2O2 326.1994 NA KEGG NA NA +C12260 (-)-Tortuosamine C20H26N2O2 326.1994 NA KEGG NA NA +MJ034891 Ajmaline C20H26N2O2 326.199428 NA MeJP NA NA +MJ034892 Alkaloid RMB 10 C20H26N2O2 326.199428 NA MeJP NA NA +MJ034893 Antirhine; natural-form, 10-Methoxy C20H26N2O2 326.199428 NA MeJP NA NA +MJ034894 Antirhine; natural-form, ar-Methoxy C20H26N2O2 326.199428 NA MeJP NA NA +MJ034895 Aristolarine C20H26N2O2 326.199428 NA MeJP NA NA +MJ034896 Aristolasol C20H26N2O2 326.199428 NA MeJP NA NA +MJ034897 Aspidoalbidine; 12-Methoxy C20H26N2O2 326.199428 NA MeJP NA NA +MJ034898 Beninine C20H26N2O2 326.199428 NA MeJP NA NA +MJ034899 Burnamicine C20H26N2O2 326.199428 NA MeJP NA NA +MJ034900 Cinchonamine; 10-Methoxy C20H26N2O2 326.199428 NA MeJP NA NA +MJ034901 Corynantheol; 10-Methoxy C20H26N2O2 326.199428 NA MeJP NA NA +MJ034902 Epsiprantel C20H26N2O2 326.199428 NA MeJP NA NA +MJ034903 Geissoschizol; 10-Methoxy C20H26N2O2 326.199428 NA MeJP NA NA +MJ034904 Geissoschizol; 9-Methoxy C20H26N2O2 326.199428 NA MeJP NA NA +MJ034905 Iboluteine C20H26N2O2 326.199428 NA MeJP NA NA +MJ034906 Iboxygaine C20H26N2O2 326.199428 NA MeJP NA NA +MJ034907 Isogeissoschizol; 10-Methoxy C20H26N2O2 326.199428 NA MeJP NA NA +MJ034908 Quinicinol C20H26N2O2 326.199428 NA MeJP NA NA +MJ034909 Quinidine; 10,11-Dihydro C20H26N2O2 326.199428 NA MeJP NA NA +MJ034910 Quinine; 10,11-Dihydro C20H26N2O2 326.199428 NA MeJP NA NA +MJ034911 Raumacline C20H26N2O2 326.199428 NA MeJP NA NA +MJ034912 Rauwolfinine C20H26N2O2 326.199428 NA MeJP NA NA +MJ034913 Retuline; 16-Epimer, 10-methoxy, N-de-Ac C20H26N2O2 326.199428 NA MeJP NA NA +MJ034914 Serratoline; 15?-Hydroxy C20H26N2O2 326.199428 NA MeJP NA NA +MJ034915 Strictanine C20H26N2O2 326.199428 NA MeJP NA NA +MJ034916 Tortuosamine C20H26N2O2 326.199428 NA MeJP NA NA +MJ034917 Veradoline C20H26N2O2 326.199428 NA MeJP NA NA +MJ034918 Verilopam C20H26N2O2 326.199428 NA MeJP NA NA +MJ034919 Voaphylline, 12-Methoxy C20H26N2O2 326.199428 NA MeJP NA NA +MJ034920 Voaphylline, 16?-Hydroxy, N1-Me C20H26N2O2 326.199428 NA MeJP NA NA +MJ034921 Corynantheol; 10-Hydroxy, Nb-Me(?-) C20H27N2O2(+) 326.199428 NA MeJP NA NA +MJ034922 Geissoschizol; 10-Hydroxy, Nb-Me C20H27N2O2(+) 326.199428 NA MeJP NA NA +MJ034923 Hunterburnine; ?-N-Metho salt C20H27N2O2(+) 326.199428 NA MeJP NA NA +MJ034924 Hunterburnine; ?-N-Me C20H27N2O2(+) 326.199428 NA MeJP NA NA +MetaCyc02874 ajmaline [] C20H26N2O2 326.199428 NA metacyc NA NA +EUR158 2,3-dinor-8-iso-prostaglandinF2a C18H30O5 326.2093 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR158 2,3-dinor-8-iso-prostaglandinF2a C18H30O5 326.2093 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR158 2,3-dinor-8-iso-prostaglandinF2a C18H30O5 326.2093 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR158 2,3-dinor-8-iso-prostaglandinF2a C18H30O5 326.2093 Wishlist Inhousejuil11 NA NA +C14794 2,3-Dinor-8-iso prostaglandin F2alpha C18H30O5 326.2093 NA KEGG NA NA +HMDB02277 2,3-dinor-6-keto-prostaglandin F1 alpha C18H30O5 326.20932 http://www.hmdb.ca/metabolites/HMDB02277 HMDB NA NA +HMDB02277 2,3-dinor-6-keto-prostaglandin F1 alpha C18H30O5 326.20932 HMDB02277 PFEM_hmdb_metabocards_official NA NA +MJ034925 6,8-Dihydroxy-13,14,15,16-tetranor-12-labdanoic acid, 8-Ac C18H30O5 326.209324 NA MeJP NA NA +MJ034926 7,8,13-Trihydroxy-15,16-dinor-18-isopimaranoic acid C18H30O5 326.209324 NA MeJP NA NA +MJ034927 8,12-Epoxy-7(11)-eremophilene-3,6,8,12-tetrol, 6,8,12-Tri-Me ether C18H30O5 326.209324 NA MeJP NA NA +MJ034928 Albocycline; 10-Hydroxy, 2,3-dihydro C18H30O5 326.209324 NA MeJP NA NA +MJ034929 Albocycline; 11-Hydroxy, 2,3-dihydro C18H30O5 326.209324 NA MeJP NA NA +MJ034930 Antibiotic A 121 C18H30O5 326.209324 NA MeJP NA NA +MJ034931 Deacetyldihydrobotrydial; 10-Me ether, 4-Ac C18H30O5 326.209324 NA MeJP NA NA +MJ034932 Gloeosporone C18H30O5 326.209324 NA MeJP NA NA +MJ034933 Manadic acid B C18H30O5 326.209324 NA MeJP NA NA +MJ034934 Peroxyplakoric acid A1 C18H30O5 326.209324 NA MeJP NA NA +EUR158 2,3-dinor-8-iso-prostaglandinF2a C18H30O5 326.209325 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR158 2,3-dinor-8-iso-prostaglandinF2a C18H30O5 326.209325 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR158 2,3-dinor-8-iso-prostaglandinF2a C18H30O5 326.209325 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR158 2,3-dinor-8-iso-prostaglandinF2a C18H30O5 326.209325 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR158 2,3-dinor-8-iso-prostaglandinF2a C18H30O5 326.209325 Wishlist HMDB NA NA +EUR158 2,3-dinor-8-iso-prostaglandinF2a C18H30O5 326.209325 Wishlist Inhouse_PFEM NA NA +EUR158 2,3-dinor-8-iso-prostaglandinF2a C18H30O5 326.209325 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR158 2,3-dinor-8-iso-prostaglandinF2a C18H30O5 326.209325 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR469 Thromboxane B2 F2 F2 326.211025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR469 Thromboxane B2 F2 NA 326.211025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR469 Thromboxane B2 F2 F2 326.211025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR469 Thromboxane B2 F2 NA 326.211025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR469 Thromboxane B2 F2 F2 326.211025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR469 Thromboxane B2 F2 NA 326.211025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR469 Thromboxane B2 F2 F2 326.211025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR469 Thromboxane B2 F2 F2 326.211025 standards wishlist analysés sur QTOF HMDB NA NA +EUR469 Thromboxane B2 F2 F2 326.211025 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR469 Thromboxane B2 F2 NA 326.211025 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR469 Thromboxane B2 F2 F2 326.211025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR469 Thromboxane B2 F2 F2 326.211025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ034935 2-Methyl-5-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,4-benzoquinone C22H30O2 326.22458 NA MeJP NA NA +MJ034936 3,4-Dihydro-2,7-dimethyl-6-(3-methyl-2-butenyl)-2-(4-methyl-1,3-pentadienyl)-2H-1-benzopyran-5-ol C22H30O2 326.22458 NA MeJP NA NA +MJ034937 3-(10-Hydroxy-10-phenyldecyl)phenol C22H30O2 326.22458 NA MeJP NA NA +MJ034938 3-(10-Phenyldecyl)-1,2-benzenediol C22H30O2 326.22458 NA MeJP NA NA +MJ034939 4,7,9,11,13,16,19-Docosaheptaenoic acid C22H30O2 326.22458 NA MeJP NA NA +MJ034940 4-(10-Phenyldecyl)-1,2-benzenediol C22H30O2 326.22458 NA MeJP NA NA +MJ034941 5-(10-Phenyldecyl)-1,3-benzenediol C22H30O2 326.22458 NA MeJP NA NA +MJ034942 7-Demethylplactochromenol 2 C22H30O2 326.22458 NA MeJP NA NA +MJ034943 Buxatenone C22H30O2 326.22458 NA MeJP NA NA +MJ034944 Clusifoliol C22H30O2 326.22458 NA MeJP NA NA +MJ034945 Isopeperobtusin A C22H30O2 326.22458 NA MeJP NA NA +MJ034946 Penostatin D, 6-Deoxy, 6,7-didehydro, 9-ketone C22H30O2 326.22458 NA MeJP NA NA +MJ034947 Peperobtusin A C22H30O2 326.22458 NA MeJP NA NA +MJ034948 Promegestone C22H30O2 326.22458 NA MeJP NA NA +MJ034949 Riccardiphenol B C22H30O2 326.22458 NA MeJP NA NA +MJ034950 Senkyunone C22H30O2 326.22458 NA MeJP NA NA +MJ034951 Siccanochromene A C22H30O2 326.22458 NA MeJP NA NA +C14208 Promegestone C22H30O2 326.2246 NA KEGG NA NA +C15190 12alpha-Methylpregna-4,9(11)-diene-3,20-dione C22H30O2 326.2246 NA KEGG NA NA +C15033 Hydroxystenozole C21H30N2O 326.2358 NA KEGG NA NA +MJ034952 Bunaftine C21H30N2O 326.235813 NA MeJP NA NA +MJ034953 Hydroxystenozole C21H30N2O 326.235813 NA MeJP NA NA +MJ034954 Quinacainol C21H30N2O 326.235813 NA MeJP NA NA +C15140 3,3-Difluoro-17-methyl-5alpha-androstan-17beta-ol C20H32F2O 326.2421 NA KEGG NA NA +MJ034955 1,2-Dihydroxy-16-heptadecen-4-one; 1-Ac C19H34O4 326.245709 NA MeJP NA NA +MJ034956 12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid, 15,16-Dihydro, Me ester C19H34O4 326.245709 NA MeJP NA NA +MJ034957 16-Heptadecyne-1,2,4-triol, 1-Ac C19H34O4 326.245709 NA MeJP NA NA +MJ034958 16-Heptadecyne-1,2,4-triol, 2-Ac C19H34O4 326.245709 NA MeJP NA NA +MJ034959 16-Heptadecyne-1,2,4-triol, 4-Ac C19H34O4 326.245709 NA MeJP NA NA +MJ034960 2-Methyl-3-tetradecyl-2-butenedioic acid C19H34O4 326.245709 NA MeJP NA NA +MJ034961 9,10-Epoxy-11-hydroxy-12,15-octadecadienoic acid, 15,16-Dihydro, Me ester C19H34O4 326.245709 NA MeJP NA NA +MJ034962 Plakortic acid; 6-Et analogue, Me ester C19H34O4 326.245709 NA MeJP NA NA +MJ034963 Tetrahydro-4-methyl-5-oxo-2-tridecyl-3-furancarboxylic acid C19H34O4 326.245709 NA MeJP NA NA +MJ034964 Conkurchine; N3-Me C22H34N2 326.272199 NA MeJP NA NA +MJ034965 Regholarrhenine C C22H34N2 326.272199 NA MeJP NA NA +MJ034966 11,15-Epoxy-3(20)-phytene-1,2-diol C20H38O3 326.282095 NA MeJP NA NA +MJ034967 13-Cycloheptyl-2-hydroxytridecanoic acid C20H38O3 326.282095 NA MeJP NA NA +MJ034968 14-Hydroxy-11-eicosenoic acid C20H38O3 326.282095 NA MeJP NA NA +MJ034969 4-Cembrene-15,19,20-triol C20H38O3 326.282095 NA MeJP NA NA +MJ034970 6,8,15-Labdanetriol C20H38O3 326.282095 NA MeJP NA NA +MJ034971 7,8,15-Labdanetriol C20H38O3 326.282095 NA MeJP NA NA +MJ034972 7-Hydroxy-8,16-dimethyl-9-octadecenoic acid C20H38O3 326.282095 NA MeJP NA NA +MJ034973 8,15,18-Labdanetriol C20H38O3 326.282095 NA MeJP NA NA +MJ034974 Tetrahydro-4-hydroxy-6-pentadecyl-2H-pyran-2-one C20H38O3 326.282095 NA MeJP NA NA +MetaCyc02875 2-oxophytanate [] C20H38O3 326.282095 NA metacyc NA NA +C02117 2-Oxophytanate C20H38O3 326.2821 NA KEGG NA NA +C02118 3,5-Dioxo acid C5H3O4R3 326.2821 NA KEGG NA NA +C02119 3-Acylpyruvate C4H3O4R 326.2821 NA KEGG NA NA +MJ034975 Des-A-5(10),12-oleanadiene C24H38 326.297351 NA MeJP NA NA +MJ034976 Des-A-5(10),12-ursadiene C24H38 326.297351 NA MeJP NA NA +HMDB02337 Homophytanic acid C21H42O2 326.31848 http://www.hmdb.ca/metabolites/HMDB02337 HMDB NA NA +HMDB02345 Heneicosanoic acid C21H42O2 326.31848 http://www.hmdb.ca/metabolites/HMDB02345 HMDB NA NA +MJ034977 18-Methyleicosanoic acid C21H42O2 326.31848 NA MeJP NA NA +MJ034978 2,3,7,11,15-Pentamethylhexadecanoic acid C21H42O2 326.31848 NA MeJP NA NA +MJ034979 4,6-Heneicosanedione; 4-Alcohol C21H42O2 326.31848 NA MeJP NA NA +MJ034980 4,6-Heneicosanedione; 6-Alcohol C21H42O2 326.31848 NA MeJP NA NA +MJ034981 6,8-Heneicosanedione; 6-Alcohol C21H42O2 326.31848 NA MeJP NA NA +MJ034982 6,8-Heneicosanedione; 8-Alcohol C21H42O2 326.31848 NA MeJP NA NA +MJ034983 Heneicosanoic acid C21H42O2 326.31848 NA MeJP NA NA +HMDB02337 Homophytanic acid C21H42O2 326.31848 HMDB02337 PFEM_hmdb_metabocards_official NA NA +HMDB02345 Heneicosanoic acid C21H42O2 326.31848 HMDB02345 PFEM_hmdb_metabocards_official NA NA +HMDB02337 Homophytanic acid C21H42O2 326.318481 NA HMDB2010 NA NA +HMDB02345 Heneicosanoic acid C21H42O2 326.318481 NA HMDB2010 NA NA +MJ034984 1-Docosanol C22H46O 326.354866 NA MeJP NA NA +2867 NA YPFVE 326.6465 MH2+ Inhouse_peptide NA peptide +3686 Neokyotorphin TSKYR 326.6685 MH2+ Inhouse_peptide NA peptide +8192 Antibacterial peptide TSKYR 326.6685 MH2+ Inhouse_peptide NA peptide +3970 ACE inhibitor (fragment of a-lactalbumin: 104-108) WLAHK 326.676 MH2+ Inhouse_peptide NA peptide +3566 NA EPKAIP 326.6805 MH2+ Inhouse_peptide NA peptide +MJ034985 Cloponone C11H9Cl4NO2 326.938739 NA MeJP NA NA +MJ034986 Eudistomin A C15H10BrN3O 327.000724 NA MeJP NA NA +C07637 Diloxanide furoate C14H11Cl2NO4 327.0065 NA KEGG NA NA +C07638 Transferred to D00582 C14H11Cl2NO4 327.0065 NA KEGG NA NA +MJ034987 Diloxanide; O-(2-Furancarbonyl) C14H11Cl2NO4 327.006513 NA MeJP NA NA +MJ034988 N4-Sulfanilylanilamide C12H13N3O4S2 327.034747 NA MeJP NA NA +MJ034989 6-Hydroxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid C16H9NO7 327.037901 NA MeJP NA NA +MJ034990 8-Hydroxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid C16H9NO7 327.037901 NA MeJP NA NA +PJ000317 CCC C9H17N3O4S3 327.0381 NA PeJP NA NA +C11293 Etaconazole C14H15Cl2N3O2 327.0541 NA KEGG NA NA +MJ034991 Glysobuzole C13H17N3O3S2 327.071132 NA MeJP NA NA +MJ034992 3,4-Dihydroxy-10-nitro-1-phenanthrenecarboxylic acid; 4-Me ether, Me ester C17H13NO6 327.074287 NA MeJP NA NA +C17244 3-Methylthiopropyl-desulfoglucosinolate C11H21NO6S2 327.081 NA KEGG NA NA +MetaCyc02876 3-methylthiopropyl-desulfoglucosinolate [] C11H21N1O6S2 327.081029 NA metacyc NA NA +MJ034993 Ranimustine C10H18ClN3O7 327.083327 NA MeJP NA NA +C11235 Diclobutrazol C15H19Cl2N3O 327.0905 NA KEGG NA NA +CJpos0751 Acetaminophen glucuronide [(M+H)]+ C14H18NO8 327.094875 C18rt(min)=4.12 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0751 Acetaminophen glucuronide [(M+H)]+ C14H18NO8 327.094875 C18rt(min)=4.12 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ034994 2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one; O-?-D-Glucopyranoside C14H17NO8 327.095416 NA MeJP NA NA +HMDB10316 Acetaminophen glucuronide C14H17NO8 327.095428 NA HMDB2010 NA NA +CJneg0526 Acetaminophen glucuronide [(M-H)]- C14H16NO8 327.095925 C18rt(min)=4.12 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0526 Acetaminophen glucuronide [(M-H)]- C14H16NO8 327.095925 C18rt(min)=4.12 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ034995 Leteprinim C15H13N5O4 327.096753 NA MeJP NA NA +MJ034996 Arcyriarubin A C20H13N3O2 327.100776 NA MeJP NA NA +MJ034997 Arcyrin A C20H13N3O2 327.100776 NA MeJP NA NA +MJ034998 Proviolacein C20H13N3O2 327.100776 NA MeJP NA NA +MJ034999 Pseudodeoxyviolacein C20H13N3O2 327.100776 NA MeJP NA NA +MJ035000 4-(2-Aminoethyl)phenol; 2-Oxo, N-(4-hydroxy-3-methoxy-E-cinnamoyl) C18H17NO5 327.110672 NA MeJP NA NA +MJ035001 5,7-Dimethoxy-4-(4-methoxyphenyl)-2(1H)-quinolinone; 8-Hydroxy C18H17NO5 327.110672 NA MeJP NA NA +MJ035002 Clausevatine E C18H17NO5 327.110672 NA MeJP NA NA +MJ035003 Corycularicine C18H17NO5 327.110672 NA MeJP NA NA +MJ035004 Erythraline, 11-Oxo, 10?-hydroxy, C18H17NO5 327.110672 NA MeJP NA NA +MJ035005 Erythraline, 8-Oxo, 1?,2?-epoxide C18H17NO5 327.110672 NA MeJP NA NA +MJ035006 Erythrinine; 8-Oxo C18H17NO5 327.110672 NA MeJP NA NA +MJ035007 Fontaphilline C18H17NO5 327.110672 NA MeJP NA NA +MJ035008 Furo[2,3-b]quinoline-4,6,7,8-tetrol; OH-form, 6,7-Methylene, 8-O-(3-methyl-2-butenyl), 4-Me ether C18H17NO5 327.110672 NA MeJP NA NA +MJ035009 Lycorine, 2-Ketone, 1-Ac C18H17NO5 327.110672 NA MeJP NA NA +MJ035010 Nandigerine, N-Hydroxy C18H17NO5 327.110672 NA MeJP NA NA +MJ035011 Phenylalanine, N-(3,4-Dihydroxycinnamoyl)(E-) C18H17NO5 327.110672 NA MeJP NA NA +MJ035012 Pukateine, 7S-Hydroxy, N-oxide C18H17NO5 327.110672 NA MeJP NA NA +MJ035013 Roxiamine A, 2',3'-Didehydro (E-) C18H17NO5 327.110672 NA MeJP NA NA +MJ035014 Stephadiolamine; N-Oxide (?-) C18H17NO5 327.110672 NA MeJP NA NA +MJ035015 Tecleaverdoornine C18H17NO5 327.110672 NA MeJP NA NA +MJ035016 Tranilast C18H17NO5 327.110672 NA MeJP NA NA +MJ035017 Tyrosine, N-(4-Hydroxycinnamoyl)(E-) C18H17NO5 327.110672 NA MeJP NA NA +MJ035018 Tyrosine, N-(4-Hydroxycinnamoyl)(Z-) C18H17NO5 327.110672 NA MeJP NA NA +C07104 Loxapine C18H18ClN3O 327.1138 NA KEGG NA NA +MJ035019 Loxapine C18H18ClN3O 327.113839 NA MeJP NA NA +MJ035020 Cilobamine C17H23Cl2NO 327.115669 NA MeJP NA NA +PJ000318 GDH C12H17N5O6 327.1179 NA PeJP NA NA +MJ035021 4-[(1,6-Dihydro-6-oxo-3-pyridazinyl)oxy]-3,4-dihydro-3-hydroxy-2,2,3-trimethyl-2H-1-benzopyran-6-carbonitrile C17H17N3O4 327.121906 NA MeJP NA NA +MJ035022 Clofibric acid; Ester with 4-hydroxy-N,N-dimethylbutyramide C16H22ClNO4 327.123735 NA MeJP NA NA +MJ035023 Sulmepride C14H21N3O4S 327.125276 NA MeJP NA NA +MJ035024 Domoilactone A C15H21NO7 327.131802 NA MeJP NA NA +MJ035025 Sesbanimide A C15H21NO7 327.131802 NA MeJP NA NA +MJ035026 4-Amino-5-chloro-N-[1-ethyl-5-(hydroxymethyl)-3-pyrrolidinyl]-2-methoxybenzamide C15H22ClN3O3 327.134969 NA MeJP NA NA +MJ035027 Chondriamide A C21H17N3O 327.137162 NA MeJP NA NA +PJ000319 PPD C14H21N3O6 327.1431 NA PeJP NA NA +MJ035028 1,2,3,9-Tetrahydroxynoraporphine, 1,2,3-Tri-Me ether C19H21NO4 327.147058 NA MeJP NA NA +MJ035029 2,3,10,11-Tetrahydroxytetrahydroberberine, 2,10-Di-Me ether C19H21NO4 327.147058 NA MeJP NA NA +MJ035030 2,3,10,11-Tetrahydroxytetrahydroberberine, 2,11-Di-Me ether C19H21NO4 327.147058 NA MeJP NA NA +MJ035031 2,3,10,11-Tetrahydroxytetrahydroberberine, 2,3-Di-Me ether C19H21NO4 327.147058 NA MeJP NA NA +MJ035032 2,3,10,11-Tetrahydroxytetrahydroberberine, 3,11-Di-Me ether C19H21NO4 327.147058 NA MeJP NA NA +MJ035033 2-Hydroxy-1,10,11-trimethoxyaporphine, N-De-Me C19H21NO4 327.147058 NA MeJP NA NA +MJ035034 3-Hydroxynuciferine, N-Oxide C19H21NO4 327.147058 NA MeJP NA NA +MJ035035 Amurinine C19H21NO4 327.147058 NA MeJP NA NA +MJ035036 Artacinatine C19H21NO4 327.147058 NA MeJP NA NA +MJ035037 Bernumine C19H21NO4 327.147058 NA MeJP NA NA +MJ035038 Bisnorargemonine C19H21NO4 327.147058 NA MeJP NA NA +MJ035039 Boldine C19H21NO4 327.147058 NA MeJP NA NA +MJ035040 Bracteine C19H21NO4 327.147058 NA MeJP NA NA +MJ035041 Bracteoline C19H21NO4 327.147058 NA MeJP NA NA +MJ035042 Caseamine C19H21NO4 327.147058 NA MeJP NA NA +MJ035043 Caseanadine; O9-De-Me C19H21NO4 327.147058 NA MeJP NA NA +MJ035044 Coreximine C19H21NO4 327.147058 NA MeJP NA NA +MJ035045 Corydine, N-De-Me C19H21NO4 327.147058 NA MeJP NA NA +MJ035046 Corytuberine C19H21NO4 327.147058 NA MeJP NA NA +MJ035047 Cryptostyline I C19H21NO4 327.147058 NA MeJP NA NA +MJ035048 Cularine, N-De-Me C19H21NO4 327.147058 NA MeJP NA NA +MJ035049 Cularine, O6-De-Me C19H21NO4 327.147058 NA MeJP NA NA +MJ035050 Cularine, O9De-Me C19H21NO4 327.147058 NA MeJP NA NA +MJ035051 Discretamine C19H21NO4 327.147058 NA MeJP NA NA +MJ035052 Erysotramidine C19H21NO4 327.147058 NA MeJP NA NA +MJ035053 Erythraline, 11-Methoxy C19H21NO4 327.147058 NA MeJP NA NA +MJ035054 Fissistigine B C19H21NO4 327.147058 NA MeJP NA NA +MJ035055 Flavinine, N-Me C19H21NO4 327.147058 NA MeJP NA NA +MJ035056 Hernagine C19H21NO4 327.147058 NA MeJP NA NA +MJ035057 Hernovine, N-Me C19H21NO4 327.147058 NA MeJP NA NA +MJ035058 Intebrinine C19H21NO4 327.147058 NA MeJP NA NA +MJ035059 Isoboldine C19H21NO4 327.147058 NA MeJP NA NA +MJ035060 Isocorydine, N-De-Me C19H21NO4 327.147058 NA MeJP NA NA +MJ035061 Isocorytuberine C19H21NO4 327.147058 NA MeJP NA NA +MJ035062 Isoscoulerine C19H21NO4 327.147058 NA MeJP NA NA +MJ035063 Isosinoacutine C19H21NO4 327.147058 NA MeJP NA NA +MJ035064 Isothebaine, N-Oxide C19H21NO4 327.147058 NA MeJP NA NA +MJ035065 Lastourvilline C19H21NO4 327.147058 NA MeJP NA NA +MJ035066 Lauroscholtzine, N-De-Me C19H21NO4 327.147058 NA MeJP NA NA +MJ035067 Lindcarpine, N-Me C19H21NO4 327.147058 NA MeJP NA NA +MJ035068 Lirioferine, N-De-Me C19H21NO4 327.147058 NA MeJP NA NA +MJ035069 Liriotulipiferine C19H21NO4 327.147058 NA MeJP NA NA +MJ035070 Munitagine C19H21NO4 327.147058 NA MeJP NA NA +MJ035071 Naloxone C19H21NO4 327.147058 NA MeJP NA NA +MJ035072 Nudaurine C19H21NO4 327.147058 NA MeJP NA NA +MJ035073 Orientalinone C19H21NO4 327.147058 NA MeJP NA NA +MJ035074 Pallidine C19H21NO4 327.147058 NA MeJP NA NA +MJ035075 Predicentrine, N-De-Me C19H21NO4 327.147058 NA MeJP NA NA +MJ035076 Rurrebanidine; 3-Me ether C19H21NO4 327.147058 NA MeJP NA NA +MJ035077 Salutaridine C19H21NO4 327.147058 NA MeJP NA NA +MJ035078 Sarcocapnidine C19H21NO4 327.147058 NA MeJP NA NA +MJ035079 Sarcophylline C19H21NO4 327.147058 NA MeJP NA NA +MJ035080 Schelhammeridine; 3-Epimer, 6S,7R-epoxide C19H21NO4 327.147058 NA MeJP NA NA +MJ035081 Schelhammeridine; 3-Epimer; 6?,7?-epoxide C19H21NO4 327.147058 NA MeJP NA NA +MJ035082 Schelhammeridine; 6?,7?-Epoxide C19H21NO4 327.147058 NA MeJP NA NA +MJ035083 Scoulerine C19H21NO4 327.147058 NA MeJP NA NA +MJ035084 Secocularidine; N-De-Me C19H21NO4 327.147058 NA MeJP NA NA +MJ035085 Secosarcocapnidine; N-De-Me C19H21NO4 327.147058 NA MeJP NA NA +MJ035086 Stenantherine C19H21NO4 327.147058 NA MeJP NA NA +MJ035087 Stepholidine C19H21NO4 327.147058 NA MeJP NA NA +MJ035088 Suaveoline C19H21NO4 327.147058 NA MeJP NA NA +MJ035089 Thalidicine C19H21NO4 327.147058 NA MeJP NA NA +MJ035090 Thalidine C19H21NO4 327.147058 NA MeJP NA NA +MJ035091 Thaliporphine, N-De-Me C19H21NO4 327.147058 NA MeJP NA NA +MJ035092 Thebaine, 16-Hydroxy C19H21NO4 327.147058 NA MeJP NA NA +MJ035093 Thebaine, N-Oxide C19H21NO4 327.147058 NA MeJP NA NA +MJ035094 Cryptaustoline, 10-O-De-Me C19H22NO4(+) 327.147058 NA MeJP NA NA +MJ035095 Litcubine C19H22NO4(+) 327.147058 NA MeJP NA NA +MJ035096 (S)-Scoulerine C19H21NO4 327.147058 NA MeJP NA NA +MJ035097 Salutaridine C19H21NO4 327.147058 NA MeJP NA NA +MetaCyc02877 salutaridine [5,6,8,14-tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7-one;] C19H21N1O4 327.147058 1936-18-1 metacyc NA NA +MetaCyc02878 S-scoulerine [(13as)-5, 8,13,13a-tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol;] C19H21N1O4 327.147058 6451-73-6 metacyc NA NA +C02106 (S)-Scoulerine C19H21NO4 327.1471 NA KEGG NA NA +C05179 Salutaridine C19H21NO4 327.1471 NA KEGG NA NA +C05183 Ferrocytochrome b-561 C19H21NO4 327.1471 NA KEGG NA NA +C05184 Ferrocytochrome c-552.5 C19H21NO4 327.1471 NA KEGG NA NA +C07252 Naloxone C19H21NO4 327.1471 NA KEGG NA NA +C09365 Boldine C19H21NO4 327.1471 NA KEGG NA NA +C09366 Bracteoline C19H21NO4 327.1471 NA KEGG NA NA +C09400 Cularidine C19H21NO4 327.1471 NA KEGG NA NA +C09410 Cularimine C19H21NO4 327.1471 NA KEGG NA NA +C09541 Isoboldine C19H21NO4 327.1471 NA KEGG NA NA +C11778 3-Acetylmorphine C19H21NO4 327.1471 NA KEGG NA NA +C11781 6-Acetylmorphine C19H21NO4 327.1471 NA KEGG NA NA +C12326 (R,S)-Scoulerine C19H21NO4 327.1471 NA KEGG NA NA +C17591 (S)-Corytuberine C19H21NO4 327.1471 NA KEGG NA NA +MJ035098 Antibiotic LL-BM 726 C13H21N5O5 327.154268 NA MeJP NA NA +PJ000320 ATH C13H21N5O5 327.1543 NA PeJP NA NA +MJ035099 Antibiotic OPC 15161 C18H21N3O3 327.158291 NA MeJP NA NA +MJ035100 Flestolol C15H22FN3O4 327.159434 NA MeJP NA NA +C08228 Levobunolol hydrochloride C17H25NO3 327.1601 NA KEGG NA NA +C08229 Transferred to D01026 C17H25NO3 327.1601 NA KEGG NA NA +MJ035101 (2-Methyl-1-propyl-1H-indol-3-yl)-1-naphthalenylmethanone C23H21NO 327.162314 NA MeJP NA NA +2808 PEP inhibitor MTPPLP 327.1637 MH2+ Inhouse_peptide NA peptide +MJ035102 Tifenamil C20H25NOS 327.165685 NA MeJP NA NA +MJ035103 Cropodine C16H25NO6 327.168187 NA MeJP NA NA +MJ035104 Hordenine; O-?-D-Glucopyranoside C16H25NO6 327.168187 NA MeJP NA NA +MJ035105 Azaperone C19H22FN3O 327.17469 NA MeJP NA NA +MJ035106 Aminopromazine C19H25N3S 327.176918 NA MeJP NA NA +MJ035107 Glorin C15H25N3O5 327.17942 NA MeJP NA NA +MJ035108 1-[9-(3,4-Methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine, 4,5-Dihydro C20H25NO3 327.183443 NA MeJP NA NA +MJ035109 Armepavine, Me ether C20H25NO3 327.183443 NA MeJP NA NA +MJ035110 Benactyzine C20H25NO3 327.183443 NA MeJP NA NA +MJ035111 Bonzakaline C20H25NO3 327.183443 NA MeJP NA NA +MJ035112 Colchiethanamine; 4'-Me ether C20H25NO3 327.183443 NA MeJP NA NA +MJ035113 Dehydronapelline; 12-Ketone, N-de-Et C20H25NO3 327.183443 NA MeJP NA NA +MJ035114 Delatisine C20H25NO3 327.183443 NA MeJP NA NA +MJ035115 Delnudine C20H25NO3 327.183443 NA MeJP NA NA +MJ035116 Difemerine C20H25NO3 327.183443 NA MeJP NA NA +MJ035117 Dimenoxadol C20H25NO3 327.183443 NA MeJP NA NA +MJ035118 Fortuneine C20H25NO3 327.183443 NA MeJP NA NA +MJ035119 Gorchacoine, Me ether C20H25NO3 327.183443 NA MeJP NA NA +MJ035120 Hetisine; 2-Ketone C20H25NO3 327.183443 NA MeJP NA NA +MJ035121 Jolantamine; Me ether C20H25NO3 327.183443 NA MeJP NA NA +MJ035122 Laurifonine C20H25NO3 327.183443 NA MeJP NA NA +MJ035123 Retrofractamides; Retrofractamide A C20H25NO3 327.183443 NA MeJP NA NA +MJ035124 Spirasine XI; 11-Oxo, 6-hydroxy C20H25NO3 327.183443 NA MeJP NA NA +MJ035125 Tatsirine; 13-Ketone C20H25NO3 327.183443 NA MeJP NA NA +MJ035126 Tatsirine; 2-Ketone C20H25NO3 327.183443 NA MeJP NA NA +MJ035127 Traxoprodil C20H25NO3 327.183443 NA MeJP NA NA +MJ035128 Venulusone C20H25NO3 327.183443 NA MeJP NA NA +MJ035129 Zanthosimuline; 3',4'-Dihydro, 3'-hydroxy C20H25NO3 327.183443 NA MeJP NA NA +MJ035130 Gorchacoine, N-Me C20H26NO3(+) 327.183443 NA MeJP NA NA +MJ035131 Higenamine, O4',O6,N,N-Tetra-Me C20H26NO3(+) 327.183443 NA MeJP NA NA +MJ035132 Jolantamine; N-Metho salt C20H26NO3(+) 327.183443 NA MeJP NA NA +MJ035133 Longifolidine, N-Me C20H26NO3(+) 327.183443 NA MeJP NA NA +MJ035134 Flumolol C17H26FNO4 327.184586 NA MeJP NA NA +MJ035135 Sophazrine C19H25N3O2 327.194677 NA MeJP NA NA +2653 synthetic fr, of human beta-CN (168-170) ACE inhibitor VLP 327.204 NA Inhouse_peptide NA peptide +3166 Diprotin B VPL 327.204 celiac toxic Inhouse_peptide NA peptide +3350 Stimulating vasoactive substance release VPL 327.204 celiac toxic Inhouse_peptide NA peptide +MJ035136 Cornucervine C17H29NO5 327.204573 NA MeJP NA NA +MJ035137 Trachelanthamine; 3'-Ac C17H29NO5 327.204573 NA MeJP NA NA +PJ000321 PVL C16H29N3O4 327.2158 NA PeJP NA NA +MJ035138 Valylprolylleucine; L-L-L-form C16H29N3O4 327.215806 NA MeJP NA NA +C06863 Butorphanol C21H29NO2 327.2198 NA KEGG NA NA +C15177 17-Methylandrosta-2,4-dieno[2,3-d]isoxazol-17beta-ol C21H29NO2 327.2198 NA KEGG NA NA +MJ035139 Butorphanol C21H29NO2 327.219829 NA MeJP NA NA +MJ035140 Daphnicaline C21H29NO2 327.219829 NA MeJP NA NA +MJ035141 Holadienine; 11?-Hydroxy, N-de-Me C21H29NO2 327.219829 NA MeJP NA NA +MJ035142 Holadienine; 15?-Hydroxy, N-de-Me C21H29NO2 327.219829 NA MeJP NA NA +CJpos0752 Dimethylnonenoylcarnitine Undecenoylcarnitine [(M+H)]+ C18H34NO4 327.240375 C18rt(min)=8.94 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0752 Dimethylnonenoylcarnitine § Undecenoylcarnitine [(M+H)]+ C18H34NO4 327.240375 C18rt(min)=8.94 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ035143 Isoleucyl-N-(2-methylcyclohexyl)threoninamide C17H33N3O3 327.252191 NA MeJP NA NA +MJ035144 2,4,8,10,12,16-Octadecahexaenoic acid; 2-Methylpropylamide C22H33NO 327.256214 NA MeJP NA NA +MJ035145 2-Dodecyl-4(1H)-quinolinone; N-Me C22H33NO 327.256214 NA MeJP NA NA +MJ035146 2-Tridecyl-4(1H)-quinolinone C22H33NO 327.256214 NA MeJP NA NA +MJ035147 3-Aminopregna-5,17(20)-dien-16-one, N-Me C22H33NO 327.256214 NA MeJP NA NA +MJ035148 Cordizine C22H33NO 327.256214 NA MeJP NA NA +MJ035149 Denudatine; 11-Deoxy C22H33NO 327.256214 NA MeJP NA NA +MJ035150 Latifolinine C22H33NO 327.256214 NA MeJP NA NA +MJ035151 Homopiptanthine; 16,17-Didehydro C21H33N3 327.267448 NA MeJP NA NA +MJ035152 Homopiptanthine; 6-Epimer, 16,17-didehydro C21H33N3 327.267448 NA MeJP NA NA +C13914 N,N-Dimethylsphing-4-enine C20H41NO2 327.3137 NA KEGG NA NA +HMDB13078 Stearoylethanolamide C20H41NO2 327.313721 NA HMDB2010 NA NA +MJ035153 Spectalinine C20H41NO2 327.313729 NA MeJP NA NA +MJ035154 Solamine; N-Heptanoyl C19H41N3O 327.324962 NA MeJP NA NA +JH230 Curcumin N/A NA 327.4125 21.48 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH230 Curcumin N/A NA 327.4125 21.48 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH230 Curcumin N/A NA 327.4125 21.48 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH230 Curcumin N/A NA 327.4125 21.48 Inhousejuil11 NA NA +2843 orphanin FQ/nociceptin peptide [FQ/N (1-7)] FGGFTGA 327.6415 MH2+ Inhouse_peptide NA peptide +MJ035155 Carbon tetrabromide CBr4 327.67335 NA MeJP NA NA +3293 bovine kappa-casein fr, 106-111 MAIPPK 327.6797 MH2+ Inhouse_peptide NA peptide +8307 ACE inhibitor KVLILA 327.7255 MH2+ Inhouse_peptide NA peptide +C14454 2,4,6-Tribromophenol C6H3Br3O 327.7734 NA KEGG NA NA +MJ035156 2,4,6-Tribromophenol C6H3Br3O 327.773402 NA MeJP NA NA +MJ035157 2,6-Dibromo-4,5-dihydroxy-2-cyclohexen-1-one, 1R-Alcohol, 4-Ac C8H10Br2O4 327.894584 NA MeJP NA NA +MJ035158 [Citrato(3-)]oxoperoxyvanadate(V)(2-); K,H salt C6H6KO10V 327.903766 NA MeJP NA NA +MJ035159 3,5-Dibromo-8-chloro-2,6-dimethyl-1,6-octadiene C10H15Br2Cl 327.922903 NA MeJP NA NA +MJ035160 7,8-Dibromo-6-(chloromethylene)-2-methyl-2-octene C10H15Br2Cl 327.922903 NA MeJP NA NA +MJ035161 7-Bromo-6-(bromomethylene)-8-chloro-2-methyl-2-octene C10H15Br2Cl 327.922903 NA MeJP NA NA +MJ035162 Tetrachlorodecaoxide C14O10 327.949146 NA MeJP NA NA +MJ035163 Phorbazole D; 2,3-Dichloro C13H7Cl3N2O2 327.95731 NA MeJP NA NA +MJ035164 Phorbazole D; 3,9-Dichloro C13H7Cl3N2O2 327.95731 NA MeJP NA NA +MJ035165 Ellagic acid; 2,3-Methylene, 7-Me ether C16H8O8 328.021917 NA MeJP NA NA +MJ035166 Ellagic acid; 2,3-Methylene, 8-Me ether C16H8O8 328.021917 NA MeJP NA NA +MJ035167 1-(5-Chloro-2-hydroxyphenyl)-1,3-dihydro-5-(trifluoromethyl)-2H-benzimidazol-2-one C14H8ClF3N2O2 328.022639 NA MeJP NA NA +MJ035168 Venustin C15H18BrClO 328.022955 NA MeJP NA NA +C11064 Fluorodifen C13H7F3N2O5 328.0307 NA KEGG NA NA +MJ035169 2',3'-Dihydroxypropyl [5-deoxy-5-(dimethylarsino)]ribofuranoside, As-Oxide C10H21AsO7 328.050324 NA MeJP NA NA +MJ035170 Eberconazole C18H14Cl2N2 328.053403 NA MeJP NA NA +HMDB06558 2,3-Epoxyaflatoxin B1 C17H12O7 328.058289 NA HMDB2010 NA NA +HMDB06558 2,3-Epoxyaflatoxin B1 C17H12O7 328.05829 http://www.hmdb.ca/metabolites/HMDB06558 HMDB NA NA +HMDB06558 2,3-Epoxyaflatoxin B1 C17H12O7 328.05829 HMDB06558 PFEM_hmdb_metabocards_official NA NA +C10198 (-)-Acanthocarpan C17H12O7 328.0583 NA KEGG NA NA +C16755 Aflatoxin G1 C17H12O7 328.0583 NA KEGG NA NA +C16756 Aflatoxin M1 C17H12O7 328.0583 NA KEGG NA NA +FL3FGANS0011 Kanzakiflavone 1 C17H12O7 328.0583 59870-76-7 knapsack NA NA +FLIAE8NS0008 5,3'-Dihydroxy-2'-methoxy-6,7-methylenedioxyisoflavone C17H12O7 328.0583 129724-35-2 knapsack NA NA +FLIAECNS0009 Dalspinin;5,7-Dihydroxy-6-methoxy-3',4'-methylenedioxyisoflavone C17H12O7 328.0583 83162-85-0 knapsack NA NA +FLIDHXNS0002 (-)-Acanthocarpan C17H12O7 328.0583 70285-12-0 knapsack NA NA +FLIDQUNS0002 Bryaquinone C17H12O7 328.0583 57684-35-2 knapsack NA NA +MJ035171 1,2,3,6,7-Pentahydroxyanthraquinone; 1,3-Di-Me, 6,7-methylene ether C17H12O7 328.058302 NA MeJP NA NA +MJ035172 1,2,3,7,8-Pentahydroxyanthraquinone; 2,3-Methylene, 1,8-di-Me ether C17H12O7 328.058302 NA MeJP NA NA +MJ035173 1,3,5-Trihydroxyanthraquinone-2-carboxylic acid; Et ester C17H12O7 328.058302 NA MeJP NA NA +MJ035174 1,3,8,9-Tetrahydroxycoumestan; 1,8-Di-Me ether C17H12O7 328.058302 NA MeJP NA NA +MJ035175 1,3,8,9-Tetrahydroxycoumestan; 3,8-Di-Me ether C17H12O7 328.058302 NA MeJP NA NA +MJ035176 1,6,8-Trihydroxy-3-methylanthraquinone-2-carboxylic acid; 6-Me ether C17H12O7 328.058302 NA MeJP NA NA +MJ035177 1,6,8-Trihydroxy-3-methylanthraquinone-2-carboxylic acid; 8-Me ether C17H12O7 328.058302 NA MeJP NA NA +MJ035178 2',3',5,6,7-Pentahydroxyisoflavone; 2'-Me, 6,7-Methylene ether C17H12O7 328.058302 NA MeJP NA NA +MJ035179 2-Acetyl-1,6,8-trihydroxy-3-methylanthraquinone; 5-Hydroxy C17H12O7 328.058302 NA MeJP NA NA +MJ035180 3',4',5,6,7-Pentahydroxyisoflavone; 6-Me, 3',4'-methylene ether C17H12O7 328.058302 NA MeJP NA NA +MJ035181 3'-Formyl-4',5,5',7-tetrahydroxyisoflavone; 4'-Me ether C17H12O7 328.058302 NA MeJP NA NA +MJ035182 3,4,10,11-Tetrahydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one; 3-Me ether C17H12O7 328.058302 NA MeJP NA NA +MJ035183 3,4,6a,8,9-Pentahydroxypterocarpan; 3,4:8,9-Bismethylene ether C17H12O7 328.058302 NA MeJP NA NA +MJ035184 3,4,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; Me ester C17H12O7 328.058302 NA MeJP NA NA +MJ035185 3,6,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; 3-Me ether C17H12O7 328.058302 NA MeJP NA NA +MJ035186 3,6,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; 6-Me ether C17H12O7 328.058302 NA MeJP NA NA +MJ035187 3,6,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; Me ester C17H12O7 328.058302 NA MeJP NA NA +MJ035188 3,7,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; Me ester C17H12O7 328.058302 NA MeJP NA NA +MJ035189 3-Hydroxyaflatoxin B1 C17H12O7 328.058302 NA MeJP NA NA +MJ035190 4',5,6,7,8-Pentahydroxyflavone; 6,7-Methylene, 4'-Me ether C17H12O7 328.058302 NA MeJP NA NA +MJ035191 4',5,6,7,8-Pentahydroxyisoflavone; 6,7-Methylene, 4'-Me ether C17H12O7 328.058302 NA MeJP NA NA +MJ035192 6,7,8-Trihydroxyanthraquinone-2-carboxylic acid; 6,8-Di-Me ether C17H12O7 328.058302 NA MeJP NA NA +MJ035193 Aflatoxin B1, 15?,16?-Epoxide C17H12O7 328.058302 NA MeJP NA NA +MJ035194 Aflatoxin B1, 4-Hydroxy C17H12O7 328.058302 NA MeJP NA NA +MJ035195 Aflatoxin G1 C17H12O7 328.058302 NA MeJP NA NA +MJ035196 Aflatoxin M1 C17H12O7 328.058302 NA MeJP NA NA +MJ035197 Austocystin F; 2,3-Dihydro C17H12O7 328.058302 NA MeJP NA NA +MJ035198 Bryaquinone C17H12O7 328.058302 NA MeJP NA NA +MJ035199 Porphyrilic acid; Me ester C17H12O7 328.058302 NA MeJP NA NA +MJ035200 Scillascillin, 2-Hydroxy C17H12O7 328.058302 NA MeJP NA NA +MJ035201 Ventilatone A; 5-Hydroxy C17H12O7 328.058302 NA MeJP NA NA +MJ035202 5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene; 3-Methyl-2-butenoyl C18H16O2S2 328.059171 NA MeJP NA NA +MJ035203 5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene; Angeloyl C18H16O2S2 328.059171 NA MeJP NA NA +MJ035204 5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene; Tigloyl C18H16O2S2 328.059171 NA MeJP NA NA +MJ035205 Clorexolone C14H17ClN2O3S 328.06484 NA MeJP NA NA +MJ035206 10-Bromo-5,10-epoxy-3,8-chamigradiene-2,7-diol C15H21BrO3 328.067407 NA MeJP NA NA +MJ035207 10-Bromo-7,8-epoxy-2,9-chamigradiene-5,15-diol C15H21BrO3 328.067407 NA MeJP NA NA +MJ035208 Aplysistatin C15H21BrO3 328.067407 NA MeJP NA NA +MJ035209 Laureacetal B C15H21BrO3 328.067407 NA MeJP NA NA +MJ035210 Laurefucin C15H21BrO3 328.067407 NA MeJP NA NA +MJ035211 Laureoxolane C15H21BrO3 328.067407 NA MeJP NA NA +MJ035212 Scanlonenyne C15H21BrO3 328.067407 NA MeJP NA NA +MJ035213 4,9-Dihydroxy-1,6-phenazinedicarboxylic acid; Di-Me ester C16H12N2O6 328.069536 NA MeJP NA NA +MJ035214 Antibiotic PD 116152 C16H12N2O6 328.069536 NA MeJP NA NA +MJ035215 Cinnabarine; O-Ac C16H12N2O6 328.069536 NA MeJP NA NA +MJ035216 Antibiotic C 1778B; Deoxy C13H16N2O6S 328.072906 NA MeJP NA NA +MJ035217 Antibiotic C 19393E5 C13H16N2O6S 328.072906 NA MeJP NA NA +MJ035218 Thienamycin; 8-Epimer, 1',2'-didehydro, N-Ac, S-oxide C13H16N2O6S 328.072906 NA MeJP NA NA +C09919 Bergenin C14H16O9 328.0794 NA KEGG NA NA +C16519 2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate C14H16O9 328.0794 NA KEGG NA NA +C16520 Hexadecenoyl-[acyl-carrier protein] C16H29OSR 328.0794 NA KEGG NA NA +MJ035219 Bergenin C14H16O9 328.079432 NA MeJP NA NA +MJ035220 Thiohexamide C14H20N2O3S2 328.091533 NA MeJP NA NA +FL1ABENM0001 6,3'-Dihydroxy-4,4'-dimethoxy-5-methylaurone C18H16O6 328.09468 193552-54-4 knapsack NA NA +FL1AEANS0001 5-Hydroxy-4,6,4'-trimethoxyaurone C18H16O6 328.09468 137648-02-3 knapsack NA NA +FL1CDCNS0001 Tephrone C18H16O6 328.09468 84161-84-2 knapsack NA NA +FL1CHYNM0001 3'-Formyl-2',6',beta-trihydroxy-4'-methoxy-5'-methylchalcone C18H16O6 328.09468 59677-77-9 knapsack NA NA +FL1CHYNS0007 Milletenone C18H16O6 328.09468 55303-87-2 knapsack NA NA +FL2F1LNS0001 7,2'-Dimethoxy-4',5'-methylenedioxyflavanone C18H16O6 328.09468 103197-37-1 knapsack NA NA +FL2F2CNS0002 6,7-Dimethoxy-3',4'-methylenedioxyflavanone C18H16O6 328.09468 94392-48-0 knapsack NA NA +FL2FDCNS0001 (2S)-5,7-Dimethoxy-3',4'-methylenedioxyflavanone C18H16O6 328.09468 610770-50-8 knapsack NA NA +FL2FE8NS0001 Betagarin C18H16O6 328.09468 60132-69-6 knapsack NA NA +FL2FEANS0006 5,4'-Dimethoxy-6,7-methylenedioxyflavanone C18H16O6 328.09468 105801-21-6 knapsack NA NA +FL2FF9NS0002 5,8-Dihydroxy-7-methoxyflavanone 8-O-acetate C18H16O6 328.09468 83327-49-5 knapsack NA NA +FL3F29NS0001 Grantionin;2-(3,5-Dimethoxyphenyl)-7-hydroxy-6-methoxy-4H-1-benzopyran-4-one C18H16O6 328.09468 135729-31-6 knapsack NA NA +FL3F98NS0011 Zapotinin C18H16O6 328.09468 14813-20-8 knapsack NA NA +FL3FA8NS0008 5-Hydroxy-7,2',5'-trimethoxyflavone;2-(2,5-Dimethoxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C18H16O6 328.09468 639087-96-0 knapsack NA NA +FL3FA8NS0012 5-Hydroxy-7,2',6'-trimethoxyflavone;2-(2,6-Dimethoxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C18H16O6 328.09468 566918-50-1 knapsack NA NA +FL3FALNS0004 Noratocarpetin 7,2',4'-trimethyl ether C18H16O6 328.09468 132718-84-4 knapsack NA NA +FL3FCCNM0002 5,3',4'-Trihydroxy-7-methoxy-6,8-dimethylflavone;6,8-Di-C-methylluteolin 7-methyl ether;2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one C18H16O6 328.09468 630426-78-7 knapsack NA NA +FL3FCFNS0001 Luteolin 7,3',4'-trimethyl ether;5-Hydroxy-7,3',4'-trimethoxyflavone;2-(3,4-Dimethoxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C18H16O6 328.09468 29080-58-8 knapsack NA NA +FL3FEANS0008 Salvigenin C18H16O6 328.09468 19103-54-9 knapsack NA NA +FL3FEANS0012 6-Hydroxy-5,7,4'-trimethoxyflavone;6-Hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C18H16O6 328.09468 6938-19-8 knapsack NA NA +FL3FF8NS0005 7-Hydroxy-5,8,2'-trimethoxyflavone C18H16O6 328.09468 102273-92-7 knapsack NA NA +FL3FF8NS0015 5-Hydroxy-2',7,8-trimethoxyflavone;Andrographin;Skullcapflavone I 2'-methyl ether;2'-O-Methylskullcapflavone I;5-Hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one C18H16O6 328.09468 1165-40-8 knapsack NA NA +FL3FFANS0007 Isoscutellarein 7,8,4'-trimethyl ether;5-Hydroxy-7,8,4'-trimethoxyflavone;5-Hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C18H16O6 328.09468 57096-03-4 knapsack NA NA +FL3FG9NS0002 8-Hydroxy-5,6,7-trimethoxyflavone C18H16O6 328.09468 73213-65-7 knapsack NA NA +FL3FG9NS0003 Alnetin C18H16O6 328.09468 3151-82-4 knapsack NA NA +FL4DA9NM0002 3,5,7-Trihydroxy-6-methylflavanone 3-acetate C18H16O6 328.09468 111545-19-8 knapsack NA NA +FL4DA9NS0008 Pinobanksin 3-propionate C18H16O6 328.09468 126394-70-5 knapsack NA NA +FL4DA9NS0010 3,5-Dihydroxy-7-methoxyflavanone 3-acetate C18H16O6 328.09468 139906-49-3 knapsack NA NA +FL5F1CNS0005 Fisetin 7,3',4'-trimethyl ether C18H16O6 328.09468 58544-90-4 knapsack NA NA +FL5F3ANS0004 3-Hydroxy-7,8,4'-trimethoxyflavone C18H16O6 328.09468 57499-06-6 knapsack NA NA +FL5FCANM0001 6,8-Di-C-methylkaempferol 7-methyl ether C18H16O6 328.09468 97208-74-7 knapsack NA NA +FL5FDANM0002 5,4'-Dihydroxy-3,7-dimethoxy-6-methylflavone;8-Demethyllatifolin;5-Hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one C18H16O6 328.09468 92891-70-8 knapsack NA NA +FL5FDANM0004 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one C18H16O6 328.09468 88718-51-8 knapsack NA NA +FL5FDANS0004 Kaempferol 3,5,7-trimethyl ether C18H16O6 328.09468 59259-80-2 knapsack NA NA +FL5FDBNS0002 Kaempferol 3,7,4'-trimethyl ether;5-Hydroxy-3,7,4'-trimethoxyflavone;5-Hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C18H16O6 328.09468 15486-34-7 knapsack NA NA +FL5FE9NS0008 Alnustin C18H16O6 328.09468 32483-98-0 knapsack NA NA +FL5FF9NM0005 Platanin 3,7-dimethyl ether C18H16O6 328.09468 97208-75-8 knapsack NA NA +FL5FF9NS0008 7-Hydroxy-3,5,8-trimethoxyflavone C18H16O6 328.09468 71706-62-2 knapsack NA NA +FL5FF9NS0009 Methylgnaphaliin;5-Hydroxy-3,7,8-trimethoxyflavone;5-Hydroxy-3,7,8-trimethoxy-2-phenyl-4H-1-benzopyran-4-one C18H16O6 328.09468 22399-74-2 knapsack NA NA +FL5FF9NS0010 3-Hydroxy-5,7,8-trimethoxyflavone C18H16O6 328.09468 103393-10-8 knapsack NA NA +FL6DPTNS0006 4-O-Methyl-3',4'-methylenedioxymopanan-4alpha-ol C18H16O6 328.09468 - knapsack NA NA +FLIA1LNS0009 7-Hydroxy-2',4',5'-trimethoxyisoflavone C18H16O6 328.09468 29096-94-4 knapsack NA NA +FLIA1LNS0010 2'-Hydroxy-7,3',4'-trimethoxyisoflavone C18H16O6 328.09468 71973-12-1 knapsack NA NA +FLIA2CNS0005 Cladrastin C18H16O6 328.09468 24126-90-7 knapsack NA NA +FLIA3CNS0003 7-Hydroxy-8,3',4'-trimethoxyisoflavone C18H16O6 328.09468 61243-31-0 knapsack NA NA +FLIAEANS0009 7,4'-Di-O-methyltectorigenin;5-Hydroxy-6,7,4'-trimethoxyisoflavone C18H16O6 328.09468 13186-08-8 knapsack NA NA +FLIAEANS0010 5-Methoxyafrormosin;7-Hydroxy-5,6,4'-trimethoxyisoflavone C18H16O6 328.09468 53505-61-6 knapsack NA NA +FLIAFANS0002 Iso-5-methoxyafrormosin;7-Hydroxy-5,8,4'-trimethoxyisoflavone C18H16O6 328.09468 68862-20-4 knapsack NA NA +FLIB2CNS0001 6,7-Dimethoxy-3',4'-methylenedioxyisoflavanone C18H16O6 328.09468 24195-20-8 knapsack NA NA +FLID2CNS0004 2-Methoxypterocarpin;2,3-Dimethoxy-8,9-methylenedioxypterocarpan C18H16O6 328.09468 30461-93-9 knapsack NA NA +FLID3CNS0004 4-Methoxypterocarpin C18H16O6 328.09468 2694-70-4 knapsack NA NA +FLIDHYNS0002 6-Methoxypterocarpin;(6S,6aS,11aR)-3,6-Dimethoxy-8,9-methylenedioxypterocarpan C18H16O6 328.09468 90686-10-5 knapsack NA NA +FLIDWXNS0006 Bryacarpene 2;10-Hydroxy-3,8,9-trimethoxypterocarpene C18H16O6 328.09468 55306-15-5 knapsack NA NA +FLIDWXNS0007 Bryacarpene 4;4-Hydroxy-3,9,10-trimethoxypterocarpene C18H16O6 328.09468 55306-16-6 knapsack NA NA +FLNADENS0001 3'-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin C18H16O6 328.09468 88126-45-8 knapsack NA NA +FLNAFANS0001 Exostemin;8-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin C18H16O6 328.09468 16281-62-2 knapsack NA NA +MJ035221 1,2,3,8-Tetrahydroxy-6-methylanthraquinone; 1,2,3-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035222 1,2-Dihydro-5,9,10-trihydroxy-1,1,2-trimethyl-6H-furo[2,3-c]xanthen-6-one C18H16O6 328.094688 NA MeJP NA NA +MJ035223 1,3,5,6-Tetrahydroxy-2-prenylxanthone C18H16O6 328.094688 NA MeJP NA NA +MJ035224 1,3,5,6-Tetrahydroxy-4-prenylxanthone C18H16O6 328.094688 NA MeJP NA NA +MJ035225 1,3,5,8-Tetrahydroxy-2-prenylxanthone C18H16O6 328.094688 NA MeJP NA NA +MJ035226 1,3,5-Trihydroxy-2-hydroxymethylanthraquinone; 1-Me ether, 1'-Et ether C18H16O6 328.094688 NA MeJP NA NA +MJ035227 1,3,5-Trihydroxy-2-hydroxymethylanthraquinone; 5-Me ether, 1'-Et ether C18H16O6 328.094688 NA MeJP NA NA +MJ035228 1,3,6,7-Tetrahydroxy-2-methylanthraquinone; 1,6,7-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035229 1,3,6,7-Tetrahydroxy-2-prenylxanthone C18H16O6 328.094688 NA MeJP NA NA +MJ035230 1,3,6-Trihydroxy-2-hydroxymethylanthraquinone; 6-Me, 1'-Et ether C18H16O6 328.094688 NA MeJP NA NA +MJ035231 1,3,8-Trihydroxy-2-hydroxymethylanthraquinone; 1-Me ether, 1'-Et ether C18H16O6 328.094688 NA MeJP NA NA +MJ035232 1-(3-Formyl-2,4,6-trihydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione; 4'-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035233 2',3',4',7-Tetrahydroxyisoflavone; 3',4',7-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035234 2',3,4,4',6'-Pentahydroxychalcone; 3,4-Methylene, 2',4'-di-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035235 2',4',5',7-Tetrahydroxyflavanone; 2',7-Di Me, 4',5'-methylene ether C18H16O6 328.094688 NA MeJP NA NA +MJ035236 2',4',5',7-Tetrahydroxyisoflavone; 2',4',5'-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035237 2',4',5,7-Tetrahydroxyflavone; 2',4',7-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035238 2',4',5,7-Tetrahydroxyisoflavone; 2',4',7-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035239 2',4',6,7-Tetrahydroxyisoflavone; 2',4',7-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035240 2',5,6,6'-Tetrahydroxyflavone; 2',6,6'-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035241 2',5,6,7-Tetrahydroxyflavanone, 6,7-Methylene, 2',5-di-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035242 2',5,7,8-Tetrahydroxyflavone; 2',5,8-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035243 2',5,7,8-Tetrahydroxyflavone; 2',7,8-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035244 2,2',4',5',7-Pentahydroxyisoflavene; 2,2'-Di-Me, 4',5'-methylene ether C18H16O6 328.094688 NA MeJP NA NA +MJ035245 2,3,6,8-Tetrahydroxy-1-prenylxanthone C18H16O6 328.094688 NA MeJP NA NA +MJ035246 2,3,8,9-Tetrahydroxypterocarpan; 2,3-Di-Me, 8,9-methylene ether C18H16O6 328.094688 NA MeJP NA NA +MJ035247 2-(1,1-Dimethyl-2-propenyl)-1,4,5,6-tetrahydroxyxanthone C18H16O6 328.094688 NA MeJP NA NA +MJ035248 2-(2,4-Dihydroxyphenyl)-6-hydroxy-3-benzofurancarboxylic acid; 2',6-Di-Me ether, Me ester C18H16O6 328.094688 NA MeJP NA NA +MJ035249 3',4',5,7-Tetrahydroxy-8-methylflavone; 3',4'-Di-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035250 3',4',6,7-Tetrahydroxyflavanone, 6,7-Di-Me, 3',4'-methylene ether C18H16O6 328.094688 NA MeJP NA NA +MJ035251 3',4',6,7-Tetrahydroxyflavone; 3',4',7-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035252 3',4',6,7-Tetrahydroxyisoflavanone; 6,7-Di-Me, 3',4'-methylene ether C18H16O6 328.094688 NA MeJP NA NA +MJ035253 3',4',6,7-Tetrahydroxyisoflavone; 3',4',6-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035254 3',4',6,7-Tetrahydroxyisoflavone; 3',6,7-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035255 3',4',6,7-Tetrahydroxyisoflavone; 4',6,7-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035256 3',4',7,8-Tetrahydroxyisoflavone; 3',4',8-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035257 3',4,4',6-Tetrahydroxy-5-methylaurone; 4,4'-Di-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035258 3',5',6,7-Tetrahydroxyflavone; 3',5',6-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035259 3,4',5,7-Tetrahydroxy-6,8-dimethylflavone; 3-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035260 3,4',5,7-Tetrahydroxy-6,8-dimethylflavone; 7-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035261 3,4',5,7-Tetrahydroxy-6-methylflavone; 3,7-Di-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035262 3,4,8,9-Tetrahydroxypterocarpan, 8,9-Methylene, 3,4-di-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035263 3,4,9,10-Tetrahydroxypterocarpene; 3,9,10-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035264 3,5,6,7-Tetrahydroxyflavone; 3,6,7-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035265 3,5,7,8-Tetrahydroxy-6-methylflavone; 3,7-Di-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035266 3,5,7,8-Tetrahydroxyflavone; 3,5,8-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035267 3,5,7,8-Tetrahydroxyflavone; 3,7,8-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035268 3,5,7,8-Tetrahydroxyflavone; 5,7,8-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035269 3,5,7-Trihydroxy-6-methylflavanone, 3-Ac C18H16O6 328.094688 NA MeJP NA NA +MJ035270 3,5,7-Trihydroxyflavanone, 3-Propanoyl C18H16O6 328.094688 NA MeJP NA NA +MJ035271 3,5,7-Trihydroxyflavanone, 7-Me ether, 3-Ac C18H16O6 328.094688 NA MeJP NA NA +MJ035272 3,6,7,8-Tetrahydroxy-1,4-phenanthraquinone; Tetra-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035273 3,6,8,9-Tetrahydroxypterocarpan; 3,6-Di-Me, 8,9-methylene ether C18H16O6 328.094688 NA MeJP NA NA +MJ035274 3,8,9,10-Tetrahydroxypterocarpene; 3,8,9-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035275 3-(2,4-Dihydroxyphenyl)-4,7-dihydroxy-2H-1-benzopyran-2-one; 2',4,7-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035276 3-(3,4-Dihydroxybenzyl)-5,7-dihydroxy-6-methylchromone; 7-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035277 3-Hydroxy-4',5,7-trimethoxyflavone C18H16O6 328.094688 NA MeJP NA NA +MJ035278 4',5,6,7-Tetrahydroxyflavanone, 6,7-Methylene, 4',5-di-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035279 4',5,6,7-Tetrahydroxyflavone; 4',5,7-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035280 4',5,6,7-Tetrahydroxyflavone; 5,6,7-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035281 4',5,6,7-Tetrahydroxyisoflavone; 4',5,6-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035282 4',5,6,7-Tetrahydroxyisoflavone; 4',6,7-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035283 4',5,7,8-Tetrahydroxyflavone; 4',5,7-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035284 4',5,7,8-Tetrahydroxyflavone; 4',7,8-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035285 4',5,7,8-Tetrahydroxyisoflavone; 4',5,8-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035286 4'-Hydroxy-3',5,7-trimethoxyflavone C18H16O6 328.094688 NA MeJP NA NA +MJ035287 4'-Hydroxy-3,5,7-trimethoxyflavone C18H16O6 328.094688 NA MeJP NA NA +MJ035288 4,4',5,6-Tetrahydroxyaurone; 4,4',6-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035289 4-(1,1-Dimethyl-2-propenyl)-1,3,5,6-tetrahydroxyxanthone C18H16O6 328.094688 NA MeJP NA NA +MJ035290 4-(1,1-Dimethyl-2-propenyl)-1,3,6,7-tetrahydroxyxanthone C18H16O6 328.094688 NA MeJP NA NA +MJ035291 4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 4',5,7-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035292 5,6,7,8-Tetrahydroxyflavone; 5,6,8-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035293 5,6,7,8-Tetrahydroxyflavone; 6,7,8-Tri Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035294 5,7,8-Trihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one; 4',5,7-Tri-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035295 5,7,8-Trihydroxyflavanone, 7-Me ether, 8-Ac C18H16O6 328.094688 NA MeJP NA NA +MJ035296 5-Hydroxy-3',4',7-trimethoxyflavone C18H16O6 328.094688 NA MeJP NA NA +MJ035297 5-Hydroxy-3,4',7-trimethoxyflavone C18H16O6 328.094688 NA MeJP NA NA +MJ035298 5-Hydroxy-4',6,7-trimethoxyflavone C18H16O6 328.094688 NA MeJP NA NA +MJ035299 9,10-Dihydro-3,7-dihydroxy-1,9,10,10-tetramethyl-4H,6H-furo[2',3':3,4]naphtho[1,8-cd]furan-4,6-dione C18H16O6 328.094688 NA MeJP NA NA +MJ035300 9,10-Dihydro-3,8-dihydroxy-1,7,10-trimethyl-2-anthracenecarboxylic acid; 10-Hydroxy C18H16O6 328.094688 NA MeJP NA NA +MJ035301 Americanin A C18H16O6 328.094688 NA MeJP NA NA +MJ035302 Americanin D C18H16O6 328.094688 NA MeJP NA NA +MJ035303 Eucomin, 6-Methoxy C18H16O6 328.094688 NA MeJP NA NA +MJ035304 Fijiensin C18H16O6 328.094688 NA MeJP NA NA +MJ035305 Frenolicin B C18H16O6 328.094688 NA MeJP NA NA +MJ035306 Isoamericanol A; 9-Aldehyde C18H16O6 328.094688 NA MeJP NA NA +MJ035307 Isorhodoptilometrin; Opt. active-form, 3-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035308 Milletenone C18H16O6 328.094688 NA MeJP NA NA +MJ035309 Mopanol; 4-Me, 4',5'-methylene ether C18H16O6 328.094688 NA MeJP NA NA +MJ035310 Ophiopogonone A; 2,3-Dihydro C18H16O6 328.094688 NA MeJP NA NA +MJ035311 Pancixanthone B; 8-Hydroxy C18H16O6 328.094688 NA MeJP NA NA +MJ035312 Pannarin; Dechloro C18H16O6 328.094688 NA MeJP NA NA +MJ035313 Perseal C C18H16O6 328.094688 NA MeJP NA NA +MJ035314 Perseal D C18H16O6 328.094688 NA MeJP NA NA +MJ035315 Punctatin; 4'-Me ether C18H16O6 328.094688 NA MeJP NA NA +MJ035316 Scleroderolide C18H16O6 328.094688 NA MeJP NA NA +MJ035317 Sclerodin C18H16O6 328.094688 NA MeJP NA NA +MJ035318 Symphoxanthone C18H16O6 328.094688 NA MeJP NA NA +MJ035319 Toxyloxanthone C C18H16O6 328.094688 NA MeJP NA NA +MJ035320 Ulugbekic acid C18H16O6 328.094688 NA MeJP NA NA +MJ035321 Vermistatin C18H16O6 328.094688 NA MeJP NA NA +MetaCyc02879 4-coumaroyl-4'-hydroxyphenyllactate [4-coumaryl-4'-hydroxyphenyllactic acid;] C18H16O6 328.094688 NA metacyc NA NA +C09479 Betagarin C18H16O6 328.0947 NA KEGG NA NA +C14985 6-Hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one C18H16O6 328.0947 NA KEGG NA NA +C14986 2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one C18H16O6 328.0947 NA KEGG NA NA +C16188 7-Hydroxy-2',4',5'-trimethoxyisoflavone C18H16O6 328.0947 NA KEGG NA NA +C16189 9-Demethylmunduserone C18H16O6 328.0947 NA KEGG NA NA +C17475 Ophiopogonanone A C18H16O6 328.0947 NA KEGG NA NA +MJ035322 Girisopam C18H17ClN2O2 328.097855 NA MeJP NA NA +MJ035323 Oxazolam C18H17ClN2O2 328.097855 NA MeJP NA NA +CJpos0753 Acetaminophen glucuronide [(M+H)]+ (13C) C1313CH18NO8 328.098275 C18rt(min)=4.12 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0753 Acetaminophen glucuronide [(M+H)]+ (13C) C1313CH18NO8 328.098275 C18rt(min)=4.12 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJneg0527 Acetaminophen glucuronide [(M-H)]- (13C) C1313CH16NO8 328.099325 C18rt(min)=4.12 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0527 Acetaminophen glucuronide [(M-H)]- (13C) C1313CH16NO8 328.099325 C18rt(min)=4.12 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ035324 Sulfapyrazole C16H16N4O2S 328.099396 NA MeJP NA NA +MetaCyc02880 β-D-Gal-1-4-D-Glc [] C11H20O11 328.100561 NA metacyc NA NA +MetaCyc02881 6-O-(β-D-xylopyranosyl)-β-D-glucopyranose [] C11H20O11 328.100561 NA metacyc NA NA +HMDB04256 7-Hydroxy-6-methyl-8-ribityl lumazine C12H16N4O7 328.101898 NA HMDB2010 NA NA +MJ035325 Photolumazine B; 1'-Deoxy C12H16N4O7 328.101898 NA MeJP NA NA +MJ035326 7-Hydroxy-6-methyl-8-ribityl lumazine C12H16N4O7 328.101898 NA MeJP NA NA +C05995 7-Hydroxy-6-methyl-8-ribityl lumazine C12H16N4O7 328.1019 NA KEGG NA NA +C05996 Branched chain fatty acid C12H16N4O7 328.1019 NA KEGG NA NA +CJneg0528 Methylinosine [(M-H)+(HCOOH)]- C12H15N4O7 328.102425 C18rt(min)=4.45 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0528 Methylinosine [(M-H)+(HCOOH)]- C12H15N4O7 328.102425 C18rt(min)=4.45 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ035327 16-Bromo-15-hexadecen-5-ynoic acid C16H25BrO2 328.103792 NA MeJP NA NA +MJ035328 Carpetimycin A; 1',2'-Dihydro, S-deoxy C14H20N2O5S 328.109292 NA MeJP NA NA +MJ035329 Eclanamine C16H22Cl2N2O 328.110918 NA MeJP NA NA +C09294 Anisatin C15H20O8 328.1158 NA KEGG NA NA +C10717 Paeonoside C15H20O8 328.1158 NA KEGG NA NA +MJ035330 2',4'-Dihydroxyacetophenone; 4'-Me ether, O-?-D-glucopyranoside C15H20O8 328.115817 NA MeJP NA NA +MJ035331 2',5'-Dihydroxyacetophenone; 5-Me ether, 2-O-?-D-glucopyranoside C15H20O8 328.115817 NA MeJP NA NA +MJ035332 2,4'-Dihydroxyacetophenone; 4'-Me ether, 2-O-?-D-glucopyranoside C15H20O8 328.115817 NA MeJP NA NA +MJ035333 2-Hydroxyneomajucin C15H20O8 328.115817 NA MeJP NA NA +MJ035334 3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone; 3-O-?-D-Glucopyranoside C15H20O8 328.115817 NA MeJP NA NA +MJ035335 4-(Hydroxymethyl)-2-(1-propenyl)-3-furancarboxylic acid, ?-L-Rhamnopyranosyl ester C15H20O8 328.115817 NA MeJP NA NA +MJ035336 4-Hydroxybenzoic acid; Et ester, O-?-D-glucopyranoside C15H20O8 328.115817 NA MeJP NA NA +MJ035337 4-Hydroxybenzyl alcohol; ?-Ac, 4-O-?-D-glucopyranoside C15H20O8 328.115817 NA MeJP NA NA +MJ035338 Anisatin C15H20O8 328.115817 NA MeJP NA NA +MJ035339 Majucin C15H20O8 328.115817 NA MeJP NA NA +MJ035340 Neoanisatin; 2?-Hydroxy C15H20O8 328.115817 NA MeJP NA NA +MJ035341 Neoanisatin; 3?-Hydroxy C15H20O8 328.115817 NA MeJP NA NA +MJ035342 Picrodendrin J C15H20O8 328.115817 NA MeJP NA NA +MJ035343 Salicin; 6'-Ac C15H20O8 328.115817 NA MeJP NA NA +MJ035344 Teuhircoside; 5-Deoxy C15H20O8 328.115817 NA MeJP NA NA +MJ035345 Ourouparine C21H17N2O2(+) 328.121177 NA MeJP NA NA +MJ035346 Liranaftate C18H20N2O2S 328.124548 NA MeJP NA NA +MJ035347 Palythenic acid C14H20N2O7 328.127051 NA MeJP NA NA +3556 ACE inhibitor FY 328.131 ACE inhibitor Inhouse_peptide NA peptide +FL1CE9NS0006 2',3',4',6'-Tetramethoxychalcone C19H20O5 328.13107 63878-53-5 knapsack NA NA +FL1CQUNM0002 2-Hydroxy-7,8-dehydrograndiflorone C19H20O5 328.13107 77744-54-8 knapsack NA NA +FL2FA9NM0014 5-O-Methylleridol C19H20O5 328.13107 143084-67-7 knapsack NA NA +MJ035348 1,10-Epoxy-6-hydroxy-2-furanoeremophilen-9-one, 6-(2-Methylpropenoyl) C19H20O5 328.131073 NA MeJP NA NA +MJ035349 15,16-Epoxy-19-nor-4,13(16),14-clerodatriene-18,6:20,12-diolide C19H20O5 328.131073 NA MeJP NA NA +MJ035350 2',3',4',6'-Tetrahydroxychalcone; Tetra-Me ether C19H20O5 328.131073 NA MeJP NA NA +MJ035351 2,3',4,6-Tetrahydroxy-2'-prenylbenzophenone; 4-Me ether C19H20O5 328.131073 NA MeJP NA NA +MJ035352 2,3,4,8-Tetrahydroxy-1-prenyldibenzofuran; 2,4-Di-Me ether C19H20O5 328.131073 NA MeJP NA NA +MJ035353 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-(3-Methyl-2-butenoyl) C19H20O5 328.131073 NA MeJP NA NA +MJ035354 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-Angeloyl C19H20O5 328.131073 NA MeJP NA NA +MJ035355 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-Tigloyl C19H20O5 328.131073 NA MeJP NA NA +MJ035356 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-Angeloyl C19H20O5 328.131073 NA MeJP NA NA +MJ035357 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-Tigloyl C19H20O5 328.131073 NA MeJP NA NA +MJ035358 2-(2,4-Dihydroxyphenyl)-5-benzofuranpropanol; 3'-Methoxy, 2'-Me ether C19H20O5 328.131073 NA MeJP NA NA +MJ035359 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-methyl-5-benzofurancarboxaldehyde, Tri-Me ether C19H20O5 328.131073 NA MeJP NA NA +MJ035360 2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-3-methylbenzofuran, 3'-Me ether C19H20O5 328.131073 NA MeJP NA NA +MJ035361 2-Hydroxy-7,8-dehydrograndiflorone C19H20O5 328.131073 NA MeJP NA NA +MJ035362 3,4,4'-Trihydroxy-7,9':7',9-diepoxylignan, 3-Me ether C19H20O5 328.131073 NA MeJP NA NA +MJ035363 3-(3,4-Dihydroxyphenyl)-1-propanol; 3'-Me ether, 1-O-(4-hydroxycinnamoyl)(E-) C19H20O5 328.131073 NA MeJP NA NA +MJ035364 5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone, Tri-Me ether C19H20O5 328.131073 NA MeJP NA NA +MJ035365 5,7-Dihydroxy-8-(hydroxymethyl)-6-methylflavanone, 5,7-Di-Me ether C19H20O5 328.131073 NA MeJP NA NA +MJ035366 7,8-Dihydro-7-hydroxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one, Angeloyl C19H20O5 328.131073 NA MeJP NA NA +MJ035367 7,8-Dihydro-7-hydroxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one, O-(3-Methyl-2-butenoyl) C19H20O5 328.131073 NA MeJP NA NA +MJ035368 7,8-Dihydro-7-hydroxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one, 2-Methyl-2-butenoyl(Z-) C19H20O5 328.131073 NA MeJP NA NA +MJ035369 7,8-Dihydro-7-hydroxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one, O-(3-Methyl-2-butenoyl) C19H20O5 328.131073 NA MeJP NA NA +MJ035370 8-Methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one; ?2'-Isomer, 4'-hydroperoxy C19H20O5 328.131073 NA MeJP NA NA +MJ035371 8-Methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one; ?4'-Isomer, 3'-hydroperoxy C19H20O5 328.131073 NA MeJP NA NA +MJ035372 Antibiotic X 14881B; O-De-Me C19H20O5 328.131073 NA MeJP NA NA +MJ035373 Bruceol C19H20O5 328.131073 NA MeJP NA NA +MJ035374 Casuarinondiol C19H20O5 328.131073 NA MeJP NA NA +MJ035375 Clausenidin C19H20O5 328.131073 NA MeJP NA NA +MJ035376 Dihydrooroselol, O-(3-Methyl-2-butenoyl) C19H20O5 328.131073 NA MeJP NA NA +MJ035377 Dihydrooroselol, O-Angeloyl C19H20O5 328.131073 NA MeJP NA NA +MJ035378 Eriobrucinol; 4?-Hydroxy C19H20O5 328.131073 NA MeJP NA NA +MJ035379 Eriobrucinol; 5?-Hydroxy C19H20O5 328.131073 NA MeJP NA NA +MJ035380 Excavatin D, 6',7'?-Dihydro C19H20O5 328.131073 NA MeJP NA NA +MJ035381 Ferrearin B C19H20O5 328.131073 NA MeJP NA NA +MJ035382 Frutescin; O-De-Me, 1'-(3-methylbutanoyloxy) C19H20O5 328.131073 NA MeJP NA NA +MJ035383 Geiparvarin; 2',3'-Dihydro C19H20O5 328.131073 NA MeJP NA NA +MJ035384 Gingerenone A; Di-O-de-Me C19H20O5 328.131073 NA MeJP NA NA +MJ035385 Gynurone C19H20O5 328.131073 NA MeJP NA NA +MJ035386 Homocyclolongipesin; O-Propanoyl C19H20O5 328.131073 NA MeJP NA NA +MJ035387 Isoteuflin C19H20O5 328.131073 NA MeJP NA NA +MJ035388 Levatin C19H20O5 328.131073 NA MeJP NA NA +MJ035389 Lomatin, O-(3-Methyl-2-butenoyl) C19H20O5 328.131073 NA MeJP NA NA +MJ035390 Lomatin, O-Angeloyl C19H20O5 328.131073 NA MeJP NA NA +MJ035391 Methylophiopogonone B; 2,3-Dihydro C19H20O5 328.131073 NA MeJP NA NA +MJ035392 Nordentatin; 2'',3''-Epoxide C19H20O5 328.131073 NA MeJP NA NA +MJ035393 Ochracenomicin A; 12b-Deoxy, 5,6,6a,12a-tetrahydro C19H20O5 328.131073 NA MeJP NA NA +MJ035394 Protobruceol I; ?2'-Isomer (E-), 4'-hydroxy C19H20O5 328.131073 NA MeJP NA NA +MJ035395 Protobruceol I; ?4'-Isomer, 3'-hydroxy C19H20O5 328.131073 NA MeJP NA NA +MJ035396 Protobruceol IV C19H20O5 328.131073 NA MeJP NA NA +MJ035397 Pseudobruceol II C19H20O5 328.131073 NA MeJP NA NA +MJ035398 Seselinol; O-(3-Methylbutanoyl) C19H20O5 328.131073 NA MeJP NA NA +MJ035399 Vafzelin C19H20O5 328.131073 NA MeJP NA NA +C09258 Decursin C19H20O5 328.1311 NA KEGG NA NA +C09272 Libanorin C19H20O5 328.1311 NA KEGG NA NA +C17482 (-)-Deltoin C19H20O5 328.1311 NA KEGG NA NA +C11012 Pencycuron C19H21ClN2O 328.1342 NA KEGG NA NA +MJ035400 Imupedone C19H21ClN2O 328.134241 NA MeJP NA NA +MJ035401 Eisenin; L-L-L-form C13H20N4O6 328.138284 NA MeJP NA NA +MJ035402 6,7-Dimethyl-8-(1-D-ribityl)lumazine C13H20N4O6 328.138284 NA MeJP NA NA +PJ000322 FY C18H20N2O4 328.1423 NA PeJP NA NA +MJ035403 Megistosarconine; 8-Imide C18H20N2O4 328.142307 NA MeJP NA NA +MJ035404 Midamaline C18H21ClN4 328.145474 NA MeJP NA NA +MJ035405 Tiapride C15H24N2O4S 328.145677 NA MeJP NA NA +2919 neuropeptide from eyestalk of Macrobrachium rosenb FMRFG 328.1492 MH2+ Inhouse_peptide NA peptide +C09965 Rhododendrin C16H24O7 328.1522 NA KEGG NA NA +MJ035406 2,6-Dimethyl-2,6-octadiene-1,8-diol, (1?6')-Lactone, 1-carboxylic acid, 8-O-?-D-glucopyranoside C16H24O7 328.152203 NA MeJP NA NA +MJ035407 2-Isopropyl-5-methyl-1,4-benzenediol; 2-O-?-D-Glucopyranoside C16H24O7 328.152203 NA MeJP NA NA +MJ035408 2-Isopropyl-5-methyl-1,4-benzenediol; 5-O-?-D-Glucopyranoside C16H24O7 328.152203 NA MeJP NA NA +MJ035409 3-(Hydroxymethyl)-5,5-dimethyl-4-methylene-2-cyclohexen-1-one; O-?-D-Glucopyranoside C16H24O7 328.152203 NA MeJP NA NA +MJ035410 4-(4-Hydroxyphenyl)-2-butanol, 2-O-?-D-Glucopyranoside C16H24O7 328.152203 NA MeJP NA NA +MJ035411 4-(4-Hydroxyphenyl)-2-butanol, 4'-O-?-D-Glucopyranoside C16H24O7 328.152203 NA MeJP NA NA +MJ035412 4-(4-Hydroxyphenyl)-2-butanol, 2-O-?-D-Glucopyranoside C16H24O7 328.152203 NA MeJP NA NA +MJ035413 4-(4-Hydroxyphenyl)-2-butanol, 4'-O-?-D-Glucopyranoside C16H24O7 328.152203 NA MeJP NA NA +MJ035414 5-Isopropyl-2-methyl-1,3-benzenediol; Mono-O-?-D-glucopyranoside C16H24O7 328.152203 NA MeJP NA NA +MJ035415 Cryptocaryolone; Di-Ac C16H24O7 328.152203 NA MeJP NA NA +MJ035416 Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl carbonic acid C16H24O7 328.152203 NA MeJP NA NA +MJ035417 Prostaglandin F-M; 5-Ketone C16H24O7 328.152203 NA MeJP NA NA +MJ035418 p-Mentha-1,3,5-triene-2,3-diol; 3-O-?-D-Glucopyranoside C16H24O7 328.152203 NA MeJP NA NA +MJ035419 p-Mentha-1,8-dien-7-al, 7-Carboxylic acid, ?-D-glucopyranosyl ester C16H24O7 328.152203 NA MeJP NA NA +MJ035420 1,2-Dehydroreticuline C19H22NO4 328.154883 NA MeJP NA NA +MetaCyc02882 1,2-dehydroreticulinium [] C19H22N1O4 328.154883 NA metacyc NA NA +C06167 1,2-Dehydroreticuline C19H22NO4 328.1549 NA KEGG NA NA +2645 synthetic fr, of human beta-CN (193-197) ACE inhibitor HQIYP 328.1575 MH2+ Inhouse_peptide NA peptide +8234 Antioxidative peptide AGWNIP 328.15795 MH2+ Inhouse_peptide NA peptide +C12869 Suplatast C16H26NO4S 328.1583 NA KEGG NA NA +C12870 Transferred to D01424 C16H26NO4S 328.1583 NA KEGG NA NA +MJ035421 1-(2-Fluorophenyl)-3-(4-hydroxyphenyl)-2-propen-1-one, O-[2-(Dimethylamino)ethyl]oxime, (Z) C19H21FN2O2 328.158706 NA MeJP NA NA +C07192 Methotrimeprazine C19H24N2OS 328.1609 NA KEGG NA NA +C07193 Transferred to D00404 C19H24N2OS 328.1609 NA KEGG NA NA +MJ035422 Fencarbamide C19H24N2OS 328.160934 NA MeJP NA NA +MJ035423 Methotrimeprazine C19H24N2OS 328.160934 NA MeJP NA NA +MJ035424 1(9),6,13-Xenicatriene-17,18:19,18-diolide, 12,15-Didehydro C20H24O4 328.167459 NA MeJP NA NA +MJ035425 1,12-Dihydroxy-15-oxo-9(11),16-kauradien-19-oic acid, (19?1) Lactone C20H24O4 328.167459 NA MeJP NA NA +MJ035426 10,19-Epoxy-12-hydroxy-6,8,12-icetexatriene-11,14-dione; 10?-form C20H24O4 328.167459 NA MeJP NA NA +MJ035427 10,19-Epoxy-12-hydroxy-7,9(20),12-icetexatriene-11,14-dione; 10?-form C20H24O4 328.167459 NA MeJP NA NA +MJ035428 10-(4-Hydroxyphenyl)-3,5,7-decatrien-1-ol, Di-Ac C20H24O4 328.167459 NA MeJP NA NA +MJ035429 11-Hydroxy-12-oxo-7,9(11),13-abietatrien-20,6-olide C20H24O4 328.167459 NA MeJP NA NA +MJ035430 11-Hydroxy-7,9(11),13-abietatriene-2,6,12-trione C20H24O4 328.167459 NA MeJP NA NA +MJ035431 12,16-Epoxy-6,11,14-trihydroxy-5,8,11,13-abietatetraen-7-one; 6-Deoxy C20H24O4 328.167459 NA MeJP NA NA +MJ035432 15,16-Epoxy-12-oxo-3,13(16),14-clerodatrien-18,6-olide C20H24O4 328.167459 NA MeJP NA NA +MJ035433 15,16-Epoxy-12-oxo-8(17),13(16),14-labdatrien-19,20-dioic acid; 19-Alcohol, 20?19 lactone C20H24O4 328.167459 NA MeJP NA NA +MJ035434 15,16-Epoxy-2-oxo-3,13(16),14-clerodatrien-19,20-olide; ent-form C20H24O4 328.167459 NA MeJP NA NA +MJ035435 15,16-Epoxy-20-hydroxy-12-oxo-8(17),13(16),14-labdatrien-19-oic acid; 19?20 Lactone C20H24O4 328.167459 NA MeJP NA NA +MJ035436 15,16-Epoxy-6-hydroxy-3,13(16),14-clerodatrien-18-oic acid, 18?6 Lactone, 7-oxo C20H24O4 328.167459 NA MeJP NA NA +MJ035437 15,16-Epoxy-6-hydroxy-7-oxo-8,13(16),14-labdatrien-19-oic acid, 19?6 Lactone C20H24O4 328.167459 NA MeJP NA NA +MJ035438 15,16-Epoxy-7-oxo-3,13(16),14-clerodatrien-18,19-olide; ent-form C20H24O4 328.167459 NA MeJP NA NA +MJ035439 17(15?16)-Abeo-12,16-epoxy-11,14-dihydroxy-5,8,11,13-abietatetraen-7-one C20H24O4 328.167459 NA MeJP NA NA +MJ035440 18(4?3)-Abeo-11,14-dioxo-3,8,12-abietatrien-18-oic acid C20H24O4 328.167459 NA MeJP NA NA +MJ035441 18(4?3)-Abeo-14,19-dihydroxy-3,8,11,13-abietatetraen-18,19-olide; 19?-form C20H24O4 328.167459 NA MeJP NA NA +MJ035442 19(4?3)-Abeo-14,15-dihydroxy-3,8,11,13-abietatetraen-19,18-olide C20H24O4 328.167459 NA MeJP NA NA +MJ035443 19(4?3)-Abeo-14,16-dihydroxy-3,8,11,13-abietatetraen-19,18-olide; 15?-form C20H24O4 328.167459 NA MeJP NA NA +MJ035444 3,11-Dihydroxy-5,7,9(11),13-abietatetraene-2,12-dione C20H24O4 328.167459 NA MeJP NA NA +MJ035445 3,3',4,4'-Tetrahydroxylignan, 3,4-Methylene, 3'-Me ether C20H24O4 328.167459 NA MeJP NA NA +MJ035446 3,3',4,4'-Tetrahydroxylignan, 3',4'-Methylene, 3-Me ether C20H24O4 328.167459 NA MeJP NA NA +MJ035447 3,6-Dioxo-4,7,11,15-cembratetraen-20,10-olide C20H24O4 328.167459 NA MeJP NA NA +MJ035448 3,6-Dioxo-4,8(19),11,15-cembratetraen-20,10-olide C20H24O4 328.167459 NA MeJP NA NA +MJ035449 3,6-Epoxy-3,5,7,11,15-cembrapentaen-20,10-olide, 11?,12?-Epoxide C20H24O4 328.167459 NA MeJP NA NA +MJ035450 3,7,11,15(17)-Cembratetraene-16,2:19,6-diolide C20H24O4 328.167459 NA MeJP NA NA +MJ035451 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-Methyl-2-butenoyl C20H24O4 328.167459 NA MeJP NA NA +MJ035452 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, Angeloyl C20H24O4 328.167459 NA MeJP NA NA +MJ035453 4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione C20H24O4 328.167459 NA MeJP NA NA +MJ035454 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 10'-Hydroxy C20H24O4 328.167459 NA MeJP NA NA +MJ035455 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 4'-Hydroxy C20H24O4 328.167459 NA MeJP NA NA +MJ035456 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 10'-Hydroxy C20H24O4 328.167459 NA MeJP NA NA +MJ035457 5,7-Dihydroxy-2H-1-benzopyran-2-one; 5-O-(3,7-Dimethyl-2,6-octadienyl), 7-O-Me C20H24O4 328.167459 NA MeJP NA NA +MJ035458 5,7-Dihydroxy-8-prenylcoumarin; 7-Me ether, 5-O-(3-methyl-2-butenyl) C20H24O4 328.167459 NA MeJP NA NA +MJ035459 5-(3,7-Dimethyl-2,6-octadienyl)-4,6-dihydroxybenzofuran, 4-Ac C20H24O4 328.167459 NA MeJP NA NA +MJ035460 5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone C20H24O4 328.167459 NA MeJP NA NA +MJ035461 6-Hydroxyfuranoeremophil-1(10)-en-9-one, Angeloyl C20H24O4 328.167459 NA MeJP NA NA +MJ035462 6-Hydroxyfuranoeremophil-1(10)-en-9-one, O-(3-Methyl-2-butenoyl) C20H24O4 328.167459 NA MeJP NA NA +MJ035463 6-Hydroxyfuranoeremophil-9-en-1-one, Angeloyl C20H24O4 328.167459 NA MeJP NA NA +MJ035464 6-Hydroxyfuranoeremophil-9-en-1-one; 6?-form, Angeloyl C20H24O4 328.167459 NA MeJP NA NA +MJ035465 7,12:15,16-Diepoxy-3,13(16),14-clerodatrien-18,6-olide C20H24O4 328.167459 NA MeJP NA NA +MJ035466 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(3,7-Dimethyl-2,6-octadienyl)(E-), O8-Me C20H24O4 328.167459 NA MeJP NA NA +MJ035467 7,8-Dihydroxy-6-prenylcoumarin; 7-Me ether, 8-O-(3-methyl-2-butenyl) C20H24O4 328.167459 NA MeJP NA NA +MJ035468 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(3,7-Dimethyl-2E,6-octadienyl) C20H24O4 328.167459 NA MeJP NA NA +MJ035469 8,12-Epoxy-3-hydroxy-4,7,11-cadinatrien-9-one; Angeloyl C20H24O4 328.167459 NA MeJP NA NA +MJ035470 8,12:15,16-Diepoxy-3,13(16),14-clerodatrien-18,19-olide C20H24O4 328.167459 NA MeJP NA NA +MJ035471 8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, Angeloyl C20H24O4 328.167459 NA MeJP NA NA +MJ035472 8-Hydroxy-4(15),11(13),10(14)-guaiatrien-12,6-olide, 8-(3-Methyl-2-butenoyl) C20H24O4 328.167459 NA MeJP NA NA +MJ035473 8-Hydroxy-4(15),9,11(13)-guaiatrien-12,6-olide, 8-(3-Methyl-2-butenoyl) C20H24O4 328.167459 NA MeJP NA NA +MJ035474 9-Hydroxy-1,8(14),15-isopimaratriene-3,7,11-trione; 9?-form C20H24O4 328.167459 NA MeJP NA NA +MJ035475 9-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 9-(3-Methyl-2-butenoyl) C20H24O4 328.167459 NA MeJP NA NA +MJ035476 9-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 9-Angeloyl C20H24O4 328.167459 NA MeJP NA NA +MJ035477 Aegyptinone B C20H24O4 328.167459 NA MeJP NA NA +MJ035478 Bengalensol C20H24O4 328.167459 NA MeJP NA NA +MJ035479 Bharangin C20H24O4 328.167459 NA MeJP NA NA +MJ035480 Brosiprenin C20H24O4 328.167459 NA MeJP NA NA +MJ035481 Cedrelopsin; O-(3-Methyl-2-butenyl) C20H24O4 328.167459 NA MeJP NA NA +MJ035482 Crocetin C20H24O4 328.167459 NA MeJP NA NA +MJ035483 Estra-1,3,5(10)-triene-3,17-dicarboxylic acid C20H24O4 328.167459 NA MeJP NA NA +MJ035484 Gelomulide C; 1,2-Didehydro C20H24O4 328.167459 NA MeJP NA NA +MJ035485 Gersemolide C20H24O4 328.167459 NA MeJP NA NA +MJ035486 Gersolide C20H24O4 328.167459 NA MeJP NA NA +MJ035487 Glycoquinone C20H24O4 328.167459 NA MeJP NA NA +MJ035488 Gravelliferone; 8-Methoxy C20H24O4 328.167459 NA MeJP NA NA +MJ035489 Guaiacin C20H24O4 328.167459 NA MeJP NA NA +MJ035490 Guaiaretic acid C20H24O4 328.167459 NA MeJP NA NA +MJ035491 Haplomitrenolide A C20H24O4 328.167459 NA MeJP NA NA +MJ035492 Hebeclinolide C20H24O4 328.167459 NA MeJP NA NA +MJ035493 Hispaninic acid C20H24O4 328.167459 NA MeJP NA NA +MJ035494 Hispanonic acid C20H24O4 328.167459 NA MeJP NA NA +MJ035495 Isogersemolide A C20H24O4 328.167459 NA MeJP NA NA +MJ035496 Jatrophone; 2-Hydroxy, 2-epimer C20H24O4 328.167459 NA MeJP NA NA +MJ035497 Jatrophone; 2?-Hydroxy C20H24O4 328.167459 NA MeJP NA NA +MJ035498 Jatrophone; 5E-Isomer, 2?-hydroxy C20H24O4 328.167459 NA MeJP NA NA +MJ035499 Joannesialactone C20H24O4 328.167459 NA MeJP NA NA +MJ035500 Kallolide A C20H24O4 328.167459 NA MeJP NA NA +MJ035501 Lanugone A; 19-Hydroxy C20H24O4 328.167459 NA MeJP NA NA +MJ035502 Lanugone L; 15-Deoxy, 15,16-didehydro C20H24O4 328.167459 NA MeJP NA NA +MJ035503 Lanugone Q C20H24O4 328.167459 NA MeJP NA NA +MJ035504 Marislin C20H24O4 328.167459 NA MeJP NA NA +MJ035505 Mutisicoumarin C20H24O4 328.167459 NA MeJP NA NA +MJ035506 Pallavicinia 4 C20H24O4 328.167459 NA MeJP NA NA +MJ035507 Pinnatin A C20H24O4 328.167459 NA MeJP NA NA +MJ035508 Plectranthone F C20H24O4 328.167459 NA MeJP NA NA +MJ035509 Pleraplysillin 2 C20H24O4 328.167459 NA MeJP NA NA +MJ035510 Pulverin C20H24O4 328.167459 NA MeJP NA NA +MJ035511 Sapriparaquinone; 3-Oxo C20H24O4 328.167459 NA MeJP NA NA +MJ035512 Sciadin C20H24O4 328.167459 NA MeJP NA NA +MJ035513 Sclareapinone C20H24O4 328.167459 NA MeJP NA NA +MJ035514 Teuvincenone C; 5?,6-Dihydro, 6-deoxy C20H24O4 328.167459 NA MeJP NA NA +MJ035515 Verimol H C20H24O4 328.167459 NA MeJP NA NA +C08588 Crocetin C20H24O4 328.1675 NA KEGG NA NA +C09578 Vernoflexin C20H24O4 328.1675 NA KEGG NA NA +C15174 Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid C20H24O4 328.1675 NA KEGG NA NA +C15618 Sobetirome C20H24O4 328.1675 NA KEGG NA NA +MJ035516 Glomerulatine A; N-De-Me C21H20N4 328.168796 NA MeJP NA NA +3702 NA VTKFY 328.17 MH2+ Inhouse_peptide NA peptide +C02195 Steryl sulfate C17H28O4S 328.1708 NA KEGG NA NA +C02196 Tertiary amine NR3 328.1708 NA KEGG NA NA +3047 inhibitor of fibrinogen and thrombin coagulation GPR 328.174 celiac toxic Inhouse_peptide NA peptide +3378 ACE inhibitor GRP 328.174 celiac toxic Inhouse_peptide NA peptide +PJ000323 PVN C14H24N4O5 328.1747 NA PeJP NA NA +MJ035517 1,6-Didehydro-3,16-dimethoxyerythrinan-15-carboxylic acid; Amide C19H24N2O3 328.178692 NA MeJP NA NA +MJ035518 Alstonoxine B; 19-Ketone C19H24N2O3 328.178692 NA MeJP NA NA +MJ035519 Aspidodispermine C19H24N2O3 328.178692 NA MeJP NA NA +MJ035520 Gelsedine C19H24N2O3 328.178692 NA MeJP NA NA +MJ035521 Holidine C19H24N2O3 328.178692 NA MeJP NA NA +MJ035522 Labetalol C19H24N2O3 328.178692 NA MeJP NA NA +MJ035523 Neolaugerine; 9E-Isomer, 15-hydroxy C19H24N2O3 328.178692 NA MeJP NA NA +C06494 Compound V(S) C19H24N2O3 328.1787 NA KEGG NA NA +C07063 Labetalol C19H24N2O3 328.1787 NA KEGG NA NA +C14276 4-(3,5-Diphenylcyclohexyl)phenol C24H24O 328.1827 NA KEGG NA NA +PJ000324 GPR C13H24N6O4 328.1859 NA PeJP NA NA +MJ035524 2-[(Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl)oxy]ethanol C17H28O6 328.188588 NA MeJP NA NA +MJ035525 Botryaloic acid; 15-Alcohol, 10-carboxylic acid, 4-Ac C17H28O6 328.188588 NA MeJP NA NA +MJ035526 Spiculisporic acid C17H28O6 328.188588 NA MeJP NA NA +MJ035527 3-Ethyl-2,3-dihydro-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-2-oxo-1H-benzimidazole-1-carboxamide C18H24N4O2 328.189926 NA MeJP NA NA +C04379 9,11alpha-Epoxypregn-4-ene-3,20-dione C21H28O3 328.2038 NA KEGG NA NA +C04381 DNA 4,6-diamino-5-formamidopyrimidine C10H16N5O7P 328.2038 NA KEGG NA NA +C07594 Pyrethrin I C21H28O3 328.2038 NA KEGG NA NA +C07595 Transferred to D00571 C21H28O3 328.2038 NA KEGG NA NA +C14681 16-alpha,17-Epoxypregn-4-ene-3,20-dione C21H28O3 328.2038 NA KEGG NA NA +C15130 6beta,19-Epoxypregn-4-ene-3,20-dione C21H28O3 328.2038 NA KEGG NA NA +C15187 11beta,12beta-Epoxypregn-4-ene-3,20-dione C21H28O3 328.2038 NA KEGG NA NA +C15254 3-(Allyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol C21H28O3 328.2038 NA KEGG NA NA +C15303 (Z)-11beta,21-Dihydroxypregna-1,4,17(20)-trien-3-one C21H28O3 328.2038 NA KEGG NA NA +C15443 3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol C21H28O3 328.2038 NA KEGG NA NA +MJ035528 1,11-Di-3-furanyl-4,8-dimethyl-6-undecanone, 4,5-Didehydro (E-) C21H28O3 328.203844 NA MeJP NA NA +MJ035529 1,11-Di-3-furanyl-4,8-dimethyl-6-undecanone, 4,5-Didehydro (Z-) C21H28O3 328.203844 NA MeJP NA NA +MJ035530 1-(2,5-Dihydroxyphenyl)-3,7,11-trimethyl-2,6,10-dodecatrien-1-one C21H28O3 328.203844 NA MeJP NA NA +MJ035531 10-Oxo-4,10-seco-2,4,13(15),17-spatatetraen-12-al, 12-Carboxylic acid, Me ester C21H28O3 328.203844 NA MeJP NA NA +MJ035532 11,12-Dihydroxy-5,8,11,13-abietatetraen-7-one; 12-Me ether C21H28O3 328.203844 NA MeJP NA NA +MJ035533 12-Hydroxy-3,4-seco-4(18),8,11,13,15-cleistanthapentaen-3-oic acid; ent-form, Me ester C21H28O3 328.203844 NA MeJP NA NA +MJ035534 12-Hydroxy-8,11,13-abietatrien-20,7-olide, Me ether C21H28O3 328.203844 NA MeJP NA NA +MJ035535 12-Hydroxypregna-4,16-diene-3,20-dione; 12?-form C21H28O3 328.203844 NA MeJP NA NA +MJ035536 12-Hydroxypregna-4,6-diene-3,20-dione; 12?-form C21H28O3 328.203844 NA MeJP NA NA +MJ035537 13-Hydroxy-8,11,13-totaratriene-1,3-dione; Me ether C21H28O3 328.203844 NA MeJP NA NA +MJ035538 15,16-Epoxy-1,3,13(16),14-clerodatetraen-18-oic acid, Me ester C21H28O3 328.203844 NA MeJP NA NA +MJ035539 15-Norphotodeoxytridachione C21H28O3 328.203844 NA MeJP NA NA +MJ035540 18,20-Epoxy-18-hydroxypregna-4,6-dien-3-one C21H28O3 328.203844 NA MeJP NA NA +MJ035541 19(4?3)-Abeo-12-hydroxy-3,8,11,13-abietatetraen-19-oic acid; Me ether C21H28O3 328.203844 NA MeJP NA NA +MJ035542 19(4?3)-Abeo-14-hydroxy-3,8,11,13-abietatetraen-18-oic acid; Me ether C21H28O3 328.203844 NA MeJP NA NA +MJ035543 2-Oxo-?3-tetrahydrocannabinol C21H28O3 328.203844 NA MeJP NA NA +MJ035544 20-Hydroxy-3-oxopregn-4-en-18-oic acid ?-lactone C21H28O3 328.203844 NA MeJP NA NA +MJ035545 21-Hydroxypregna-4,6-diene-3,20-dione C21H28O3 328.203844 NA MeJP NA NA +MJ035546 3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-O-(3,7-Dimethyl-2,6-octadienyl)(E-), 1-Ac C21H28O3 328.203844 NA MeJP NA NA +MJ035547 3-Oxopregna-4,6-dien-18,20-olide; 6,7-Dihydro C21H28O3 328.203844 NA MeJP NA NA +MJ035548 5,6-Secofuranoeremophila-1(10),4-dien-6-ol; O-(3-Methyl-2-pentenoyl) C21H28O3 328.203844 NA MeJP NA NA +MJ035549 5,6-Secofuranoeremophila-1(10),4-dien-6-ol; O-(4-Methyl-2Z-pentenoyl) C21H28O3 328.203844 NA MeJP NA NA +MJ035550 7,20-Epoxy-12-hydroxy-8,11,13-abietatrien-1-one; Me ether C21H28O3 328.203844 NA MeJP NA NA +MJ035551 8,11,13-Abietatrien-12-ol; 5?-form, 1,3-Dioxo, Me ether C21H28O3 328.203844 NA MeJP NA NA +MJ035552 8,11,13-Abietatriene-11,12,20-triol; 20?11 Lactone, 12-Me ether C21H28O3 328.203844 NA MeJP NA NA +MJ035553 Avarol; 2',5'-Quinone, 3'-hydroxy C21H28O3 328.203844 NA MeJP NA NA +MJ035554 Cannabicoumaronone C21H28O3 328.203844 NA MeJP NA NA +MJ035555 Dihydrofurospongin 2 C21H28O3 328.203844 NA MeJP NA NA +MJ035556 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-Propanoyl C21H28O3 328.203844 NA MeJP NA NA +MJ035557 Furanoeremophil-1(10)-en-3-ol, 3-(3-Methyl-2-pentenoyl) C21H28O3 328.203844 NA MeJP NA NA +MJ035558 Furospongenol; Ketone C21H28O3 328.203844 NA MeJP NA NA +MJ035559 Furospongin 1; 11,12E-Didehydro C21H28O3 328.203844 NA MeJP NA NA +MJ035560 Furospongolide C21H28O3 328.203844 NA MeJP NA NA +MJ035561 Helioporin B; 14,15-Didehydro C21H28O3 328.203844 NA MeJP NA NA +MJ035562 Helioporin E; 14?,15-Epoxide C21H28O3 328.203844 NA MeJP NA NA +MJ035563 Longithorol C C21H28O3 328.203844 NA MeJP NA NA +MJ035564 Nomegestrol C21H28O3 328.203844 NA MeJP NA NA +MJ035565 Pregn-4-ene-3,11,20-trione C21H28O3 328.203844 NA MeJP NA NA +MJ035566 Puupehenone C21H28O3 328.203844 NA MeJP NA NA +MJ035567 Pyrethrin I C21H28O3 328.203844 NA MeJP NA NA +MJ035568 Renierin A C21H28O3 328.203844 NA MeJP NA NA +MJ035569 Sapranthin C21H28O3 328.203844 NA MeJP NA NA +MJ035570 Strictic acid; Me ester C21H28O3 328.203844 NA MeJP NA NA +MJ035571 Turriculoic acid B, 7'-Aldehyde C21H28O3 328.203844 NA MeJP NA NA +MetaCyc02883 9,11-α-epoxypregn-4-ene-3,20-dione [] C21H28O3 328.203845 NA metacyc NA NA +MJ035572 10-Methoxydihydrocorynantheol C20H28N2O2 328.215078 NA MeJP NA NA +MJ035573 Aspidospermidine, 14?,15?-Dihydroxy, N1-Me C20H28N2O2 328.215078 NA MeJP NA NA +MJ035574 Camptine C20H28N2O2 328.215078 NA MeJP NA NA +MJ035575 Hobartidiol C20H28N2O2 328.215078 NA MeJP NA NA +MJ035576 Ochromianine C20H28N2O2 328.215078 NA MeJP NA NA +MJ035577 Quinicinol; 10,11-Dihydro C20H28N2O2 328.215078 NA MeJP NA NA +MJ035578 Tetrahydroakagerine C20H28N2O2 328.215078 NA MeJP NA NA +MJ035579 Ochrosandwine C20H29N2O2(+) 328.215078 NA MeJP NA NA +MJ035580 11,12,13-Trihydroxy-9,15-octadecadienoic acid C18H32O5 328.224974 NA MeJP NA NA +MJ035581 12,13,16-Trihydroxy-9,14-octadecadienoic acid C18H32O5 328.224974 NA MeJP NA NA +MJ035582 12,15,16-Trihydroxy-9,13-octadecadienoic acid C18H32O5 328.224974 NA MeJP NA NA +MJ035583 9,10,13-Trihydroxy-11,15-octadecadienoic acid C18H32O5 328.224974 NA MeJP NA NA +MJ035584 9,10-Dihydroxy-8-oxo-12-octadecenoic acid C18H32O5 328.224974 NA MeJP NA NA +MJ035585 9,10-Epoxyoctadecanedioic acid C18H32O5 328.224974 NA MeJP NA NA +MJ035586 9,12,13-Trihydroxy-10,15-octadecadienoic acid C18H32O5 328.224974 NA MeJP NA NA +MJ035587 Aspicilin C18H32O5 328.224974 NA MeJP NA NA +EUR157 2,3-dinor-8-iso-prostaglandinF1a C18H32O5 328.224975 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR157 2,3-dinor-8-iso-prostaglandinF1a C18H32O5 328.224975 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR157 2,3-dinor-8-iso-prostaglandinF1a C18H32O5 328.224975 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR157 2,3-dinor-8-iso-prostaglandinF1a C18H32O5 328.224975 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR157 2,3-dinor-8-iso-prostaglandinF1a C18H32O5 328.224975 Wishlist HMDB NA NA +EUR157 2,3-dinor-8-iso-prostaglandinF1a C18H32O5 328.224975 Wishlist Inhouse_PFEM NA NA +EUR157 2,3-dinor-8-iso-prostaglandinF1a C18H32O5 328.224975 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR157 2,3-dinor-8-iso-prostaglandinF1a C18H32O5 328.224975 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR157 2,3-dinor-8-iso-prostaglandinF1a C18H32O5 328.225 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR157 2,3-dinor-8-iso-prostaglandinF1a C18H32O5 328.225 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR157 2,3-dinor-8-iso-prostaglandinF1a C18H32O5 328.225 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR157 2,3-dinor-8-iso-prostaglandinF1a C18H32O5 328.225 Wishlist Inhousejuil11 NA NA +C14795 2,3-Dinor-8-iso prostaglandin F1alpha C18H32O5 328.225 NA KEGG NA NA +EUR127 n-3docosahexaenoicacid (C22:6) C22H32O2 328.2402 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR127 n-3docosahexaenoicacid (C22:6) C22H32O2 328.2402 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR127 n-3docosahexaenoicacid (C22:6) C22H32O2 328.2402 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR127 n-3docosahexaenoicacid (C22:6) C22H32O2 328.2402 Wishlist Inhousejuil11 NA NA +C06429 (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid C22H32O2 328.2402 NA KEGG NA NA +C14586 6alpha-Methylprogesterone C22H32O2 328.2402 NA KEGG NA NA +C15116 2alpha-Methylpregn-4-ene-3,20-dione C22H32O2 328.2402 NA KEGG NA NA +C15265 16beta-Methylpregn-4-ene-3,20-dione C22H32O2 328.2402 NA KEGG NA NA +C15299 7alpha-Methyl-4-pregnene-3,20-dione C22H32O2 328.2402 NA KEGG NA NA +EUR127 n-3docosahexaenoicacid (C22:6) C22H32O2 328.24023 Wishlist PFEM_hmdb_metabocards_urine NA urine +HMDB02183 Docosahexaenoic acid C22H32O2 328.24023 http://www.hmdb.ca/metabolites/HMDB02183 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR127 n-3docosahexaenoicacid (C22:6) C22H32O2 328.24023 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR127 n-3docosahexaenoicacid (C22:6) C22H32O2 328.24023 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR127 n-3docosahexaenoicacid (C22:6) C22H32O2 328.24023 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02183 Docosahexaenoic acid C22H32O2 328.24023 http://www.hmdb.ca/metabolites/HMDB02183 HMDB NA NA +EUR127 n-3docosahexaenoicacid (C22:6) C22H32O2 328.24023 Wishlist HMDB NA NA +EUR127 n-3docosahexaenoicacid (C22:6) C22H32O2 328.24023 Wishlist Inhouse_PFEM NA NA +MJ035588 2-Methyl-5-(8,11,14-pentadecatrienyl)-1,3-benzenediol C22H32O2 328.24023 NA MeJP NA NA +MJ035589 3-Hydroxy-13(17)-mansumbinen-16-one, 3-Ketone C22H32O2 328.24023 NA MeJP NA NA +MJ035590 4,7,10,13,16,19-Docosahexaenoic acid C22H32O2 328.24023 NA MeJP NA NA +MJ035591 6-[3-(1,2-Dimethyl-1-propenyl)-5-isopropylphenyl]-5-hydroxy-2,4-dimethyl-4-hexen-3-one C22H32O2 328.24023 NA MeJP NA NA +MJ035592 8,11,13-Abietatrien-18-ol; Ac C22H32O2 328.24023 NA MeJP NA NA +MJ035593 8,11,13-Abietatrien-19-ol; Ac C22H32O2 328.24023 NA MeJP NA NA +MJ035594 8,11,13-Abietatrien-2-ol; 2?-form, Ac C22H32O2 328.24023 NA MeJP NA NA +MJ035595 Brassicolene C22H32O2 328.24023 NA MeJP NA NA +MJ035596 Grifolin C22H32O2 328.24023 NA MeJP NA NA +MJ035597 Neogrifolin C22H32O2 328.24023 NA MeJP NA NA +MJ035598 Oligandrol C22H32O2 328.24023 NA MeJP NA NA +MJ035599 Piperogalin C22H32O2 328.24023 NA MeJP NA NA +MJ035600 Promestriene C22H32O2 328.24023 NA MeJP NA NA +MJ035601 Senkyunone; Hydroquinone C22H32O2 328.24023 NA MeJP NA NA +MJ035602 Uvarisesquiterpene A C22H32O2 328.24023 NA MeJP NA NA +MJ035603 Uvarisesquiterpene C C22H32O2 328.24023 NA MeJP NA NA +HMDB02183 Docosahexaenoic acid C22H32O2 328.24023 http://www.hmdb.ca/metabolites/HMDB02183 PFEM_hmdb_metabocards_blood NA blood +EUR127 n-3docosahexaenoicacid (C22:6) C22H32O2 328.24023 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR127 n-3docosahexaenoicacid (C22:6) C22H32O2 328.24023 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB02183 Docosahexaenoic acid C22H32O2 328.24023 HMDB02183 PFEM_hmdb_metabocards_official NA NA +HMDB02183 Docosahexaenoic acid C22H32O2 328.240234 NA HMDB2010 NA NA +CJpos0754 Dimethylnonenoylcarnitine Undecenoylcarnitine [(M+H)]+ (13C) C1713CH34NO4 328.243775 C18rt(min)=8.94 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0754 Dimethylnonenoylcarnitine § Undecenoylcarnitine [(M+H)]+ (13C) C1713CH34NO4 328.243775 C18rt(min)=8.94 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB03116 Stanozolol C21H32N2O 328.25146 http://www.hmdb.ca/metabolites/HMDB03116 HMDB NA NA +HMDB03116 Stanozolol C21H32N2O 328.25146 HMDB03116 PFEM_hmdb_metabocards_official NA NA +MJ035604 17-Aminoestra-1,3,5(10)-trien-3-ol; 17?-form, N-(3-Aminopropyl) C21H32N2O 328.251463 NA MeJP NA NA +MJ035605 Stanozolol C21H32N2O 328.251463 NA MeJP NA NA +HMDB03116 Stanozolol C21H32N2O 328.251465 NA HMDB2010 NA NA +C07311 Stanozolol C21H32N2O 328.2515 NA KEGG NA NA +HMDB11534 MG(0:0/16:1(9Z)/0:0) C19H36O4 328.261353 NA HMDB2010 NA NA +HMDB11565 MG(16:1(9Z)/0:0/0:0) C19H36O4 328.261353 NA HMDB2010 NA NA +MJ035606 16-Heptadecene-1,2,4-triol, 1-Ac C19H36O4 328.261359 NA MeJP NA NA +MJ035607 16-Heptadecene-1,2,4-triol, 2-Ac C19H36O4 328.261359 NA MeJP NA NA +MJ035608 16-Heptadecene-1,2,4-triol, 4-Ac C19H36O4 328.261359 NA MeJP NA NA +MJ035609 9,12-Dihydroxy-15-nonadecenoic acid C19H36O4 328.261359 NA MeJP NA NA +MJ035610 Conarrhimine; N23-Me C22H36N2 328.287849 NA MeJP NA NA +MJ035611 Conarrhimine; N3-Me C22H36N2 328.287849 NA MeJP NA NA +C02982 L-2-Hydroxyphytanate C20H40O3 328.2977 NA KEGG NA NA +MJ035612 19-Hydroxyeicosanoic acid C20H40O3 328.297745 NA MeJP NA NA +MJ035613 2-Hydroxyeicosanoic acid C20H40O3 328.297745 NA MeJP NA NA +MJ035614 2-Phytene-1,12,14-triol C20H40O3 328.297745 NA MeJP NA NA +MJ035615 20-Hydroxyeicosanoic acid C20H40O3 328.297745 NA MeJP NA NA +MJ035616 3-Hydroxyeicosanoic acid C20H40O3 328.297745 NA MeJP NA NA +MetaCyc02884 L-2-hydroxyphytanate [] C20H40O3 328.297745 NA metacyc NA NA +MJ035617 19-Nor-13(24),16-cheilanthadiene C24H40 328.313001 NA MeJP NA NA +MJ035618 Des-A-lup-9-ene C24H40 328.313001 NA MeJP NA NA +MJ035619 1,21-Heneicosanediol C21H44O2 328.33413 NA MeJP NA NA +MJ035620 6,8-Heneicosanediol C21H44O2 328.33413 NA MeJP NA NA +2727 erythromycin inhibitor MYMLT 328.6374 MH2+ Inhouse_peptide NA peptide +MJ035621 2-(3,5-Dichloro-2-hydroxyphenyl)-3,4,5-trichloropyrrole C10H4Cl5NO 328.873552 NA MeJP NA NA +MJ035622 Neopyrrolomycin C10H4Cl5NO 328.873552 NA MeJP NA NA +MJ035623 Chlorbetamide C11H11Cl4NO2 328.954389 NA MeJP NA NA +MJ035624 Flumethiazide C8H6F3N3O4S2 328.975181 NA MeJP NA NA +MJ035625 Eudistomidin A C15H12BrN3O 329.016374 NA MeJP NA NA +MJ035626 Eudistomin A; ?1'-Isomer, 3',4'-dihydro C15H12BrN3O 329.016374 NA MeJP NA NA +MJ035627 Zapizolam C15H9Cl2N5 329.0235 NA MeJP NA NA +MJ035628 Fentiazac C17H12ClNO2S 329.027727 NA MeJP NA NA +C11605 NAc-DNP-Cys C11H11N3O7S 329.0318 NA KEGG NA NA +C11208 Iprodione C13H13Cl2N3O3 329.0334 NA KEGG NA NA +MJ035629 Timofibrate C14H16ClNO4S 329.048856 NA MeJP NA NA +MJ035630 Nitisinone C14H10F3NO5 329.051107 NA MeJP NA NA +CJpos0755 Cyclic AMP [(M+H)]+ C10H13N5O6P 329.051975 C18rt(min)=1.06 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0756 Cyclic AMP [(M+H)]+ C10H13N5O6P 329.051975 C18rt(min)=3.86 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0755 Cyclic AMP [(M+H)]+ C10H13N5O6P 329.051975 C18rt(min)=1.06 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0756 Cyclic AMP [(M+H)]+ C10H13N5O6P 329.051975 C18rt(min)=3.86 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C00575 3',5'-Cyclic AMP C10H12N5O6P 329.0525 NA KEGG NA NA +C02353 2',3'-Cyclic AMP C10H12N5O6P 329.0525 NA KEGG NA NA +C02507 3',5'-Cyclic dGMP C10H12N5O6P 329.0525 NA KEGG NA NA +C02508 3'-Ribonucleotide C5H10O7PR 329.0525 NA KEGG NA NA +MJ035631 2-Amino-6-[3-hydroxy-4-(phosphonooxy)-1-butenyl]-4-(1H)-pteridinone C10H12N5O6P 329.052519 NA MeJP NA NA +MJ035632 Cyclic AMP C10H12N5O6P 329.052519 NA MeJP NA NA +MJ035633 2',3'-Cyclic AMP C10H12N5O6P 329.052519 NA MeJP NA NA +MJ035634 3',5'-Cyclic AMP C10H12N5O6P 329.052519 NA MeJP NA NA +HMDB00058 Cyclic AMP C10H12N5O6P 329.05252 http://www.hmdb.ca/metabolites/HMDB00058 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00058 Cyclic AMP C10H12N5O6P 329.05252 http://www.hmdb.ca/metabolites/HMDB00058 HMDB NA NA +MetaCyc02885 cyclic-AMP [cyclic 3',5'-AMP;3',5'-cyclic AMP;adenosine cyclic-3',5'-monophosphate;adenosine cyclic-monophosphate;adenosine-cyclic-phosphoric-acid;cAMP;adenosine-cyclic-phosphate;adenosine-3',5'-monophosphate;] C10H12N5O6P1 329.05252 60-92-4 metacyc NA NA +MetaCyc02886 adenosine 2'3'-cyclic monophosphate [2',3'-Cyclic AMP;] C10H12N5O6P1 329.05252 9014-63-5 metacyc NA NA +HMDB00058 Cyclic AMP C10H12N5O6P 329.05252 http://www.hmdb.ca/metabolites/HMDB00058 PFEM_hmdb_metabocards_blood NA blood +HMDB00058 Cyclic AMP C10H12N5O6P 329.05252 HMDB00058 PFEM_hmdb_metabocards_official NA NA +HMDB00058 Cyclic AMP C10H12N5O6P 329.052521 NA HMDB2010 NA NA +HMDB11616 Adenosine 2',3'-cyclic phosphate C10H12N5O6P 329.052521 NA HMDB2010 NA NA +CJneg0529 Cyclic AMP [(M-H)]- C10H11N5O6P 329.053025 C18rt(min)=3.86 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0529 Cyclic AMP [(M-H)]- C10H11N5O6P 329.053025 C18rt(min)=3.86 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ035635 Meclonazepam C16H12ClN3O3 329.056718 NA MeJP NA NA +MJ035636 Quintiofos C17H16NO2PS 329.063935 NA MeJP NA NA +C11229 Epoxiconazole C17H13ClFN3O 329.0731 NA KEGG NA NA +MJ035637 7,8-Dihydro-8-thioxoguanosine; 7-Me C11H15N5O5S 329.079389 NA MeJP NA NA +MJ035638 Auxarconjugatin A, Lower homologue (R = H) C18H16ClNO3 329.081871 NA MeJP NA NA +MJ035639 2-Amino-5-hydroxybenzoic acid; N-(4-Hydroxy-3-methoxycinnamoyl)(E-) C17H15NO6 329.089937 NA MeJP NA NA +MJ035640 2-Amino-5-hydroxybenzoic acid; N-(4-Hydroxy-3-methoxycinnamoyl)(Z-) C17H15NO6 329.089937 NA MeJP NA NA +MJ035641 Citropone C C17H15NO6 329.089937 NA MeJP NA NA +MJ035642 Carburazepam C17H16ClN3O2 329.093104 NA MeJP NA NA +C01069 Desulfoglucotropeolin C14H19NO6S 329.0933 NA KEGG NA NA +C01070 Ferricytochrome c-553 C14H19NO6S 329.0933 NA KEGG NA NA +C01071 Ferrocytochrome c-553 C14H19NO6S 329.0933 NA KEGG NA NA +MetaCyc02887 desulfoglucotropeolin [] C14H19N1O6S1 329.093308 NA metacyc NA NA +MetaCyc02888 benzyl-desulfoglucosinolate [] C14H19N1O6S1 329.093308 NA metacyc NA NA +MJ035643 Opiniazide C16H15N3O5 329.10117 NA MeJP NA NA +MJ035644 Pirolate C16H15N3O5 329.10117 NA MeJP NA NA +MJ035645 Fenprinast C16H16ClN5O 329.104337 NA MeJP NA NA +CJneg0530 Methylinosine [(M-H)+(HCOOH)]- (13C) C1113CH15N4O7 329.105825 C18rt(min)=4.45 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0530 Methylinosine [(M-H)+(HCOOH)]- (13C) C1113CH15N4O7 329.105825 C18rt(min)=4.45 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ035646 Acaprazine C15H21Cl2N3O 329.106167 NA MeJP NA NA +HMDB10329 Dopamine glucuronide C14H19NO8 329.111053 NA HMDB2010 NA NA +MJ035647 4-(2-Nitroethyl)phenol; O-?-D-Glucopyranoside C14H19NO8 329.111066 NA MeJP NA NA +MJ035648 Lithospermoside C14H19NO8 329.111066 NA MeJP NA NA +C17771 Lithospermoside C14H19NO8 329.1111 NA KEGG NA NA +PJ000325 ACH C12H19N5O4S 329.1158 NA PeJP NA NA +C11569 2,2'-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol C20H15N3O2 329.1164 NA KEGG NA NA +MJ035649 Angustine; 10-Hydroxy C20H15N3O2 329.116426 NA MeJP NA NA +MJ035650 Coscinamide A; Debromo C20H15N3O2 329.116426 NA MeJP NA NA +MJ035651 Naucletine C20H15N3O2 329.116426 NA MeJP NA NA +MJ035652 6-Chloro-2,3,4,5-tetrahydro-1-phenyl-3-(2-propenyl)-1H-3-benzazepine-7,8-diol C19H20ClNO2 329.118256 NA MeJP NA NA +MJ035653 Odapipam C19H20ClNO2 329.118256 NA MeJP NA NA +MJ035654 Ufiprazole C17H19N3O2S 329.119797 NA MeJP NA NA +C10722 Melicopicine C18H19NO5 329.1263 NA KEGG NA NA +C12165 3-O-Acetylhamayne C18H19NO5 329.1263 NA KEGG NA NA +C12166 1-O-Acetyllycorine C18H19NO5 329.1263 NA KEGG NA NA +MJ035655 1,2,3,4-Tetramethoxy-10-methylacridone C18H19NO5 329.126322 NA MeJP NA NA +MJ035656 3-Hydroxy-5-methyl-1-naphthalenecarboxylic acid; Me ether, [1-(aminocarbonyl)-2,3-epoxy-2-methylpropyl] ester(1S,2S-) C18H19NO5 329.126322 NA MeJP NA NA +MJ035657 Cephalotaxine, 8-Oxo C18H19NO5 329.126322 NA MeJP NA NA +MJ035658 Choisyine C18H19NO5 329.126322 NA MeJP NA NA +MJ035659 Distichamine C18H19NO5 329.126322 NA MeJP NA NA +MJ035660 Dopamine; N-(4-Hydroxy-3-methoxycinnamoyl)(E-) C18H19NO5 329.126322 NA MeJP NA NA +MJ035661 Flindersine; 8-Methoxy, N-(acetoxymethyl) C18H19NO5 329.126322 NA MeJP NA NA +MJ035662 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(2,3-Epoxy-3-methylbutyl), 4,8-di-Me ether C18H19NO5 329.126322 NA MeJP NA NA +MJ035663 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(2-Hydroxy-3-methyl-3-butenyl), 4,8-di-Me ether C18H19NO5 329.126322 NA MeJP NA NA +MJ035664 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(3-Methyl-2-oxobutyl), 4,8-di-Me ether C18H19NO5 329.126322 NA MeJP NA NA +MJ035665 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(4-Hydroxy-3-methyl-2Z-butenyl), 4,8-di-Me ether C18H19NO5 329.126322 NA MeJP NA NA +MJ035666 Hamayne; O3-Ac C18H19NO5 329.126322 NA MeJP NA NA +MJ035667 Heptaphylline; 2',3'-Dihydro, 2',3',8-trihydroxy C18H19NO5 329.126322 NA MeJP NA NA +MJ035668 Heptaphylline; 2',3'-Dihydro, 2'?,3',7-trihydroxy C18H19NO5 329.126322 NA MeJP NA NA +MJ035669 Hernandine C18H19NO5 329.126322 NA MeJP NA NA +MJ035670 Hippeastrine, Me ether C18H19NO5 329.126322 NA MeJP NA NA +MJ035671 Krigeine; 5-Deoxy, 7-ketone (lactone) C18H19NO5 329.126322 NA MeJP NA NA +MJ035672 Lycorine, O1-Ac C18H19NO5 329.126322 NA MeJP NA NA +MJ035673 Lycorine, O2-Ac C18H19NO5 329.126322 NA MeJP NA NA +MJ035674 Macronine C18H19NO5 329.126322 NA MeJP NA NA +MJ035675 Megistosarconine C18H19NO5 329.126322 NA MeJP NA NA +MJ035676 N-Deacetylcolchicine, O2,O3-Di-de-Me C18H19NO5 329.126322 NA MeJP NA NA +MJ035677 Octopamine, N-(4-Hydroxy-3-methoxy-E-cinnamoyl) C18H19NO5 329.126322 NA MeJP NA NA +MJ035678 Octopamine, N-(4-Hydroxy-3-methoxy-Z-cinnamoyl) C18H19NO5 329.126322 NA MeJP NA NA +MJ035679 Perfamine, 5-Hydroxy C18H19NO5 329.126322 NA MeJP NA NA +MJ035680 Roxiamine A C18H19NO5 329.126322 NA MeJP NA NA +MJ035681 Varadine C18H19NO5 329.126322 NA MeJP NA NA +MJ035682 ?-Benzyl-1,3,3a,4,5,6,7,7a-octahydro-3a-methyl-1,3-dioxo-4,7-epoxyisoindole-2-acetic acid C18H19NO5 329.126322 NA MeJP NA NA +MJ035683 Clodazon C18H20ClN3O 329.129489 NA MeJP NA NA +MJ035684 Hikosamine C11H23NO10 329.132195 NA MeJP NA NA +PJ000326 SSH C12H19N5O6 329.1335 NA PeJP NA NA +MJ035685 Mazethramycin A C17H19N3O4 329.137556 NA MeJP NA NA +MJ035686 2,3-Bis(4-methoxyphenyl)-1H-indole C22H19NO2 329.141578 NA MeJP NA NA +C07415 Paroxetine C19H20FNO3 329.1427 NA KEGG NA NA +MJ035687 Paroxetine C19H20FNO3 329.142721 NA MeJP NA NA +MJ035688 Meprotixol C19H23NO2S 329.144949 NA MeJP NA NA +MJ035689 N2-[(2-Quinolinyl)carbonyl]arginine C16H19N5O3 329.148789 NA MeJP NA NA +MJ035690 Cloperastine C20H24ClNO 329.154642 NA MeJP NA NA +MJ035691 Valclavam C14H23N3O6 329.158685 NA MeJP NA NA +C06668 Valclavam C14H23N3O6 329.1587 NA KEGG NA NA +PJ000327 PVD C14H23N3O6 329.1587 NA PeJP NA NA +C02105 (S)-Reticuline C19H23NO4 329.1627 NA KEGG NA NA +C05178 (R)-Reticuline C19H23NO4 329.1627 NA KEGG NA NA +C05220 5,6,8,14-Tetradehydro-3,6-dimethoxy-17-methyl-morphinan-4,7-diol C19H23NO4 329.1627 NA KEGG NA NA +C05223 Dodecanoyl-[acyl-carrier protein] C12H23OSR 329.1627 NA KEGG NA NA +C05226 N-Carbamoyl-D-amino acid C3H5N2O3R 329.1627 NA KEGG NA NA +C05227 UDP-sugar C3H5N2O3R 329.1627 NA KEGG NA NA +C09643 Sinomenine C19H23NO4 329.1627 NA KEGG NA NA +C10852 Cinnamoylcocaine C19H23NO4 329.1627 NA KEGG NA NA +C12328 Reticuline C19H23NO4 329.1627 NA KEGG NA NA +C17899 Isosinomenine C19H23NO4 329.1627 NA KEGG NA NA +MJ035692 5,6,8,14-Tetradehydro-3,6-dimethoxy-17-methyl-morphinan-4,7-diol C19H23NO4 329.162708 NA MeJP NA NA +MJ035693 (R)-Reticuline C19H23NO4 329.162708 NA MeJP NA NA +MJ035694 (S)-Reticuline C19H23NO4 329.162708 NA MeJP NA NA +MJ035695 4-Nitroestrone; Me ether C19H23NO4 329.162708 NA MeJP NA NA +MJ035696 8,14-Dihydrosalutaridine C19H23NO4 329.162708 NA MeJP NA NA +MJ035697 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Cinnamoyl(E-), 6-Ac C19H23NO4 329.162708 NA MeJP NA NA +MJ035698 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Cinnamoyl(Z-), 6-Ac C19H23NO4 329.162708 NA MeJP NA NA +MJ035699 Annonelliptine C19H23NO4 329.162708 NA MeJP NA NA +MJ035700 Anomuricine C19H23NO4 329.162708 NA MeJP NA NA +MJ035701 Bernumicine; 3'-O-De-Me C19H23NO4 329.162708 NA MeJP NA NA +MJ035702 Cepharamine C19H23NO4 329.162708 NA MeJP NA NA +MJ035703 Cohirsinine C19H23NO4 329.162708 NA MeJP NA NA +MJ035704 Crassifolazonine C19H23NO4 329.162708 NA MeJP NA NA +MJ035705 Crassifoline C19H23NO4 329.162708 NA MeJP NA NA +MJ035706 Dehassiline C19H23NO4 329.162708 NA MeJP NA NA +MJ035707 Ecgonine, O-(Z-Cinnamoyl), Me ester C19H23NO4 329.162708 NA MeJP NA NA +MJ035708 Erysodienone, 2-Alcohol, O16-Me C19H23NO4 329.162708 NA MeJP NA NA +MJ035709 Erysotrine, N-Oxide C19H23NO4 329.162708 NA MeJP NA NA +MJ035710 Erythrartine C19H23NO4 329.162708 NA MeJP NA NA +MJ035711 Erythratidine; 2-Ketone C19H23NO4 329.162708 NA MeJP NA NA +MJ035712 Galanthamine, Ac C19H23NO4 329.162708 NA MeJP NA NA +MJ035713 Haplotubinone C19H23NO4 329.162708 NA MeJP NA NA +MJ035714 Hirsutine C19H23NO4 329.162708 NA MeJP NA NA +MJ035715 Ocobotrine C19H23NO4 329.162708 NA MeJP NA NA +MJ035716 Orientaline C19H23NO4 329.162708 NA MeJP NA NA +MJ035717 Orientalinone, 11,12-Dihydro C19H23NO4 329.162708 NA MeJP NA NA +MJ035718 Orientalinone, 13-Epimer, 8,9-dihydro C19H23NO4 329.162708 NA MeJP NA NA +MJ035719 Pallidinine C19H23NO4 329.162708 NA MeJP NA NA +MJ035720 Protosinomenine C19H23NO4 329.162708 NA MeJP NA NA +MJ035721 Regecoline C19H23NO4 329.162708 NA MeJP NA NA +MJ035722 Reticuline C19H23NO4 329.162708 NA MeJP NA NA +MJ035723 Robustidine; 2-Deoxy, 1?,6?-epoxide, Me ether C19H23NO4 329.162708 NA MeJP NA NA +MJ035724 Robustiline C19H23NO4 329.162708 NA MeJP NA NA +MJ035725 Salutaridine, 5,6-Dihydro C19H23NO4 329.162708 NA MeJP NA NA +MJ035726 Schelhammericine, 3-Epimer, 12?-hydroxy C19H23NO4 329.162708 NA MeJP NA NA +MJ035727 Schelhammerine C19H23NO4 329.162708 NA MeJP NA NA +MJ035728 Sendaverine; 3'-Hydroxy, O7-Me C19H23NO4 329.162708 NA MeJP NA NA +MJ035729 Sinomenine C19H23NO4 329.162708 NA MeJP NA NA +MJ035730 Stepharinosine; Me ether C19H23NO4 329.162708 NA MeJP NA NA +MetaCyc02889 salutaridinol [5,6,8,14-tetradehydro-3,6-dimethoxy-17-methyl-morphinan-4,7-diol;] C19H23N1O4 329.162708 NA metacyc NA NA +MetaCyc02890 (S)-reticuline [1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol;] C19H23N1O4 329.162708 NA metacyc NA NA +MetaCyc02891 (R)-reticuline [(+)-reticuline;] C19H23N1O4 329.162708 3968-19-2 metacyc NA NA +HMDB03601 (S)-Reticuline C19H23NO4 329.16272 http://www.hmdb.ca/metabolites/HMDB03601 HMDB NA NA +HMDB03601 (S)-Reticuline C19H23NO4 329.16272 HMDB03601 PFEM_hmdb_metabocards_official NA NA +HMDB03601 (S)-Reticuline C19H23NO4 329.16272 NA HMDB2010 NA NA +MJ035731 N-Cyclopentyl-N-(3-mercapto-2-methylpropionyl)glycine, S-(2,2-Dimethylpropanoyl) C16H27NO4S 329.166079 NA MeJP NA NA +MJ035732 Buquiterine C18H23N3O3 329.173941 NA MeJP NA NA +2803 PEP inhibitor LPPPVH 329.183 MH2+ Inhouse_peptide NA peptide +2804 PEP inhibitor PPPVHL 329.183 MH2+ Inhouse_peptide NA peptide +2806 PEP inhibitor HLPPPV 329.183 MH2+ Inhouse_peptide NA peptide +3517 ACE inhibitor PPPVHL 329.183 MH2+ Inhouse_peptide NA peptide +3527 ACE inhibitor VHLPPP 329.183 MH2+ Inhouse_peptide NA peptide +C10301 Europine C16H27NO6 329.1838 NA KEGG NA NA +MJ035733 Europine C16H27NO6 329.183837 NA MeJP NA NA +MJ035734 Heliotrine; N-Oxide C16H27NO6 329.183837 NA MeJP NA NA +MJ035735 Quinazosin C17H23N5O2 329.185175 NA MeJP NA NA +MJ035736 Sunepitron C17H23N5O2 329.185175 NA MeJP NA NA +MJ035737 Aspergillus oryzae Cysteine protease inhibitors; CPI 3 C15H27N3O5 329.19507 NA MeJP NA NA +MJ035738 Fortimicin AH C15H27N3O5 329.19507 NA MeJP NA NA +PJ000328 PTL C15H27N3O5 329.1951 NA PeJP NA NA +MJ035739 1-(Aminomethyl)-3,4-dihydro-3-tricyclo[3.3.1.13,7]dec-1-yl-1H-2-benzopyran-5,6-diol C20H27NO3 329.199093 NA MeJP NA NA +MJ035740 1-[9-(3,4-Methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine, 2,3,4,5-Tetrahydro C20H27NO3 329.199093 NA MeJP NA NA +MJ035741 4-(2-Aminoethyl)phenol; N-Jasmonoyl C20H27NO3 329.199093 NA MeJP NA NA +MJ035742 9-(3,4-Methylenedioxyphenyl)-2,4-nonadienoic acid, 2-Methylpropylamide C20H27NO3 329.199093 NA MeJP NA NA +MJ035743 Acorientine C20H27NO3 329.199093 NA MeJP NA NA +MJ035744 Delfissinol C20H27NO3 329.199093 NA MeJP NA NA +MJ035745 Hetisine C20H27NO3 329.199093 NA MeJP NA NA +MJ035746 Kobusine; 19-Hydroxy C20H27NO3 329.199093 NA MeJP NA NA +MJ035747 Kobusine; 20-Hydroxy C20H27NO3 329.199093 NA MeJP NA NA +MJ035748 Kobusine; 6-Hydroxy C20H27NO3 329.199093 NA MeJP NA NA +MJ035749 Lucidinine; Me ether C20H27NO3 329.199093 NA MeJP NA NA +MJ035750 Pipercallosine C20H27NO3 329.199093 NA MeJP NA NA +MJ035751 Retrofractamides; Retrofractamide A, 4,5-Dihydro C20H27NO3 329.199093 NA MeJP NA NA +MJ035752 Ryosenaminol C20H27NO3 329.199093 NA MeJP NA NA +MJ035753 Sanyonamine; 11?-Hydroxy C20H27NO3 329.199093 NA MeJP NA NA +MJ035754 Songorine; N-De-Et C20H27NO3 329.199093 NA MeJP NA NA +MJ035755 Souline F C20H27NO3 329.199093 NA MeJP NA NA +MJ035756 Tatsirine C20H27NO3 329.199093 NA MeJP NA NA +MJ035757 Taxodine; 3-Epimer, Me ether C20H27NO3 329.199093 NA MeJP NA NA +MJ035758 Taxodine; Me ether C20H27NO3 329.199093 NA MeJP NA NA +MJ035759 Trilostane C20H27NO3 329.199093 NA MeJP NA NA +C08687 Hetisine C20H27NO3 329.1991 NA KEGG NA NA +MJ035760 Prenylamine C24H27N 329.214349 NA MeJP NA NA +HMDB13202 6-Keto-decanoylcarnitine C17H31NO5 329.220215 NA HMDB2010 NA NA +MJ035761 N-Ethylhastanecine trachelanthate C17H32NO5(+) 329.220223 NA MeJP NA NA +PJ000329 VVL C16H31N3O4 329.2315 NA PeJP NA NA +EUR389 Testosterone F3 F3 329.234075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR389 Testosterone F3 NA 329.234075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR389 Testosterone F3 F3 329.234075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR389 Testosterone F3 NA 329.234075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR389 Testosterone F3 F3 329.234075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR389 Testosterone F3 NA 329.234075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR389 Testosterone F3 F3 329.234075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR389 Testosterone F3 F3 329.234075 standards wishlist analysés sur QTOF HMDB NA NA +EUR389 Testosterone F3 F3 329.234075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR389 Testosterone F3 NA 329.234075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR389 Testosterone F3 F3 329.234075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR389 Testosterone F3 F3 329.234075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ035762 17-Aminoestra-1,3,5(10)-trien-3-ol; 17?-form, N-(3-Hydroxypropyl) C21H31NO2 329.235479 NA MeJP NA NA +MJ035763 Androisoxazole C21H31NO2 329.235479 NA MeJP NA NA +MJ035764 Bornaprine C21H31NO2 329.235479 NA MeJP NA NA +MJ035765 Daphnicamine C21H31NO2 329.235479 NA MeJP NA NA +MJ035766 Fronepidil C21H31NO2 329.235479 NA MeJP NA NA +MJ035767 Gitingensine C21H31NO2 329.235479 NA MeJP NA NA +MJ035768 Himbadine C21H31NO2 329.235479 NA MeJP NA NA +MJ035769 hipyran A C21H31NO2 329.235479 NA MeJP NA NA +C15133 4-Methyl-4-aza-5-pregnene-3,20-dione C21H31NO2 329.2355 NA KEGG NA NA +C15149 17beta-Acetamidoandrost-4-en-3-one C21H31NO2 329.2355 NA KEGG NA NA +CJpos0757 Dimethylnonenoylcarnitine Undecenoylcarnitine [(M+H)]+ (18O) C18H34NO318O 329.244675 C18rt(min)=8.94 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0757 Dimethylnonenoylcarnitine § Undecenoylcarnitine [(M+H)]+ (18O) C18H34NO318O 329.244675 C18rt(min)=8.94 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB06202 4,8 dimethylnonanoyl carnitine C18H35NO4 329.25662 http://www.hmdb.ca/metabolites/HMDB06202 HMDB NA NA +HMDB06202 4,8 dimethylnonanoyl carnitine C18H35NO4 329.25662 HMDB06202 PFEM_hmdb_metabocards_official NA NA +HMDB06202 4,8 dimethylnonanoyl carnitine C18H35NO4 329.256622 NA HMDB2010 NA NA +HMDB13321 Undecanoylcarnitine C18H35NO4 329.256622 NA HMDB2010 NA NA +MJ035770 20-Aminopregn-4-en-3-one, N-Me C22H35NO 329.271864 NA MeJP NA NA +MJ035771 3-Aminopregn-17(20)-en-16-one, N-Me C22H35NO 329.271864 NA MeJP NA NA +MJ035772 3-Aminopregn-5-en-16-one; 3?-form, N-Me C22H35NO 329.271864 NA MeJP NA NA +MJ035773 3-Aminopregn-5-en-20-one; 3?-form, N-Me C22H35NO 329.271864 NA MeJP NA NA +MJ035774 3-Aminopregna-5,16-dien-20-ol, N-Me C22H35NO 329.271864 NA MeJP NA NA +MJ035775 Latifoline C22H35NO 329.271864 NA MeJP NA NA +MJ035776 Pipoctanone C22H35NO 329.271864 NA MeJP NA NA +MJ035777 Bucainide C21H35N3 329.283098 NA MeJP NA NA +MJ035778 Homopiptanthine C21H35N3 329.283098 NA MeJP NA NA +MJ035779 Jamine C21H35N3 329.283098 NA MeJP NA NA +C10768 Jamine C21H35N3 329.2831 NA KEGG NA NA +MJ035780 Penaresidin A C19H39NO3 329.292994 NA MeJP NA NA +MJ035781 Penaresidin B C19H39NO3 329.292994 NA MeJP NA NA +HMDB06752 Dihydroceramide C19H39NO3 329.292999 NA HMDB2010 NA NA +HMDB06752 Dihydroceramide C19H39NO3 329.293 http://www.hmdb.ca/metabolites/HMDB06752 HMDB NA NA +HMDB06752 Dihydroceramide C19H39NO3 329.293 HMDB06752 PFEM_hmdb_metabocards_official NA NA +3519 ACE inhibitor from as1-CN AYFYP 329.6415 MH2+ Inhouse_peptide NA peptide +MJ035782 8-Bromo-5,6-dichloro-2-chloromethylene-6-methyl-3,7-octadienal C10H10BrCl3O 329.89806 NA MeJP NA NA +C14744 Dacthal C10H6Cl4O4 329.902 NA KEGG NA NA +MJ035783 5,6-Dibromotryptamine; Nb-Me C11H12Br2N2 329.936723 NA MeJP NA NA +MJ035784 1,1-Dibromo-2,4-heptanediol; 4-Ac C9H16Br2O3 329.946619 NA MeJP NA NA +C11702 Tienilic acid C13H8Cl2O4S 329.952 NA KEGG NA NA +MJ035785 Tienilic acid C13H8Cl2O4S 329.952034 NA MeJP NA NA +MJ035786 Chloro(2-hydroxyphenyl)mercury C6H5ClHgO 329.973518 NA MeJP NA NA +MJ035787 2-Bromo-1,3,5-benzenetriol; Tri-Ac C12H11BrO6 329.9739 NA MeJP NA NA +C14389 1,1,1-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane C15H13Cl3O2 329.9981 NA KEGG NA NA +MJ035788 2,2',4,4',6,6'-Biphenylhexol; 2-O-Sulfate C12H10O9S 330.004552 NA MeJP NA NA +MJ035789 Furosemide C12H11ClN2O5S 330.007719 NA MeJP NA NA +HMDB01933 Furosemide C12H11ClN2O5S 330.00772 http://www.hmdb.ca/metabolites/HMDB01933 HMDB NA NA +HMDB01933 Furosemide C12H11ClN2O5S 330.00772 HMDB01933 PFEM_hmdb_metabocards_official NA NA +HMDB01933 Furosemide C12H11ClN2O5S 330.007721 NA HMDB2010 NA NA +C00113 PQQ C14H6N2O8 330.0124 NA KEGG NA NA +MJ035790 Methoxatin C14H6N2O8 330.012415 NA MeJP NA NA +MJ035791 PQQ C14H6N2O8 330.012415 NA MeJP NA NA +MetaCyc02892 pyrroloquinoline quinone [PQQ;methoxatin;] C14H6N2O8 330.012415 72909-34-3 metacyc NA NA +MJ035792 5-(2-Bromoethenyl)-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,4(1H,3H)-pyrimidinedione C12H15BrN2O4 330.021519 NA MeJP NA NA +C11226 Fenarimol C17H12Cl2N2O 330.0327 NA KEGG NA NA +MJ035793 Malathion C10H19O6PS2 330.036066 NA MeJP NA NA +C07497 Malathion C10H19O6PS2 330.0361 NA KEGG NA NA +C00943 3',5'-Cyclic IMP C10H11N4O7P 330.0365 NA KEGG NA NA +HMDB11680 Inosine 2',3'-cyclic phosphate C10H11N4O7P 330.03653 NA HMDB2010 NA NA +MJ035794 Eudistalbin B C16H15BrN2O 330.036775 NA MeJP NA NA +MJ035795 1,5,6,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid C16H10O8 330.037567 NA MeJP NA NA +MJ035796 2,6-Dihydroxy-1,7-dimethoxybenzofuro[4,3,2-def][2]benzoxepin-8,10-dione C16H10O8 330.037567 NA MeJP NA NA +MJ035797 3,5,6,8-Tetrahydroxy-1-methyl-2-anthraquinonecarboxylic acid C16H10O8 330.037567 NA MeJP NA NA +MJ035798 3,6,7,8-Tetrahydroxy-1-methyl-2-anthraquinonecarboxylic acid C16H10O8 330.037567 NA MeJP NA NA +MJ035799 Blighinone C16H10O8 330.037567 NA MeJP NA NA +MJ035800 Ellagic acid; 2,3-Di-Me ether C16H10O8 330.037567 NA MeJP NA NA +MJ035801 Ellagic acid; 2,7-Di-Me ether C16H10O8 330.037567 NA MeJP NA NA +MJ035802 Ellagic acid; 2,8-Di-Me ether C16H10O8 330.037567 NA MeJP NA NA +MJ035803 Ellagic acid; 3,8-Di-Me ether C16H10O8 330.037567 NA MeJP NA NA +C13835 NS 1608 C14H10ClF3N2O2 330.0383 NA KEGG NA NA +MJ035804 2,10-Dibromo-3-chloro-7(14),9-chamigradien-8-ol; 8-Ketone,10-debromo C15H20BrClO 330.038605 NA MeJP NA NA +MJ035805 Bisezakyne A C15H20BrClO 330.038605 NA MeJP NA NA +MJ035806 Hurgadenyne C15H20BrClO 330.038605 NA MeJP NA NA +MJ035807 Laurepinnacin C15H20BrClO 330.038605 NA MeJP NA NA +MJ035808 Obtusenyne C15H20BrClO 330.038605 NA MeJP NA NA +MJ035809 Pinnatifidenyne C15H20BrClO 330.038605 NA MeJP NA NA +MJ035810 Rogiolenyne D C15H20BrClO 330.038605 NA MeJP NA NA +MJ035811 Rogioloxepane A C15H20BrClO 330.038605 NA MeJP NA NA +MJ035812 Srilankenyne C15H20BrClO 330.038605 NA MeJP NA NA +MJ035813 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate C13H19BrN2OS 330.040146 NA MeJP NA NA +MJ035814 Lissoclin C C15H15BrN4 330.048009 NA MeJP NA NA +MJ035815 2-Cyclohexyl-4-iodo-3,5-dimethylphenol C14H19IO 330.048058 NA MeJP NA NA +MJ035816 Bulgarhodin; 2-Deoxy C20H10O5 330.052823 NA MeJP NA NA +MJ035817 Valdivione C20H10O5 330.052823 NA MeJP NA NA +MJ035818 Pirazolac C17H12ClFN2O2 330.057133 NA MeJP NA NA +MJ035819 Nikkomycin Sox C12H14N2O9 330.06993 NA MeJP NA NA +MJ035820 Nikkomycin Soz C12H14N2O9 330.06993 NA MeJP NA NA +MJ035821 Almecillin C13H18N2O4S2 330.070798 NA MeJP NA NA +C17405 Penicillin O C13H18N2O4S2 330.0708 NA KEGG NA NA +FL2FQUNS0001 Remerin C17H14O7 330.07395 41093-65-6 knapsack NA NA +FL3F2GNS0004 6,7,4'-Trihydroxy-3',5'-dimethoxyflavone;6,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one C17H14O7 330.07395 177602-71-0 knapsack NA NA +FL3F98NS0015 5,4',5'-Trihydroxy-6,2'-dimethoxyflavone;2-(4,5-Dihydroxy-2-methoxyphenyl)-5-hydroxy-6-methoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 133538-68-8 knapsack NA NA +FL3FAINS0001 Tricin;5,7,4'-Trihydroxy-3',5'-dimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one C17H14O7 330.07395 520-32-1 knapsack NA NA +FL3FAKNS0001 Apometzgerin;Tricetin 3',4'-dimethyl ether;5,7-Dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-1-benzopyran-4-one C17H14O7 330.07395 76900-87-3 knapsack NA NA +FL3FALNS0008 Isoetin 5,7-dimethyl ether C17H14O7 330.07395 145194-17-8 knapsack NA NA +FL3FECNS0001 Cirsiliol C17H14O7 330.07395 34334-69-5 knapsack NA NA +FL3FECNS0008 6-Hydroxyluteolin 5,6-dimethyl ether C17H14O7 330.07395 88153-47-3 knapsack NA NA +FL3FECNS0009 Jaceosidin C17H14O7 330.07395 18085-97-7 knapsack NA NA +FL3FECNS0010 Desmethoxycentaureidin;5,7,3'-Trihydroxy-6,4'-dimethoxyflavone;Demethoxycentaureidin;5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 22934-99-2 knapsack NA NA +FL3FECNS0011 6-Hydroxyluteolin 7,3'-dimethyl ether;5,6,4'-Trihydroxy-7,3'-dimethoxyflavone;5,6-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 25782-25-6 knapsack NA NA +FL3FECNS0012 Nuchensin;5,6,3'-Trihydroxy-7,4'-dimethoxyflavone;5,6-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 25782-24-5 knapsack NA NA +FL3FELNS0007 Tamaridone C17H14O7 330.07395 32396-92-2 knapsack NA NA +FL3FF8NS0007 Rehderianin I C17H14O7 330.07395 90965-30-3 knapsack NA NA +FL3FF8NS0008 Viscidulin II C17H14O7 330.07395 92519-93-2 knapsack NA NA +FL3FF8NS0009 5,7,2'-Trihydroxy-8,6'-dimethoxyflavone C17H14O7 330.07395 92519-90-9 knapsack NA NA +FL3FFCNS0004 Hypolaetin 8,3'-dimethyl ether;5,7,4'-Trihydroxy-8,3'-dimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 24126-72-5 knapsack NA NA +FL3FG8NS0002 5,8,2'-Trihydroxy-6,7-dimethoxyflavone C17H14O7 330.07395 77056-21-4 knapsack NA NA +FL3FG8NS0007 5,7,2'-trihydroxy-6,8-dimethoxyflavone;5,7-Dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 159359-22-5 knapsack NA NA +FL3FGANS0003 Desmethoxysudachitin;5,7,4'-Trihydroxy-6,8-dimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 4323-80-2 knapsack NA NA +FL3FGANS0004 Thymusin;5,6-Dihydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 76844-66-1 knapsack NA NA +FL3FGANS0005 5,6,8-Trihydroxy-7,4'-dimethoxyflavone C17H14O7 330.07395 125140-33-2 knapsack NA NA +FL3FGANS0012 Isothymusin;5,8-Dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 98755-25-0 knapsack NA NA +FL3FGANS0013 5,6,7-Trihydroxy-8,4'-dimethoxyflavone;5,6,7-Trihydroxy-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C17H14O7 330.07395 142846-83-1 knapsack NA NA +FL4DAANS0002 Aromadendrin 3-acetate C17H14O7 330.07395 62458-55-3 knapsack NA NA +FL4DPTNS0004 5-Methoxypeltogynone C17H14O7 330.07395 38279-47-9 knapsack NA NA +FL4DPTNS0005 5-Methoxymopanone C17H14O7 330.07395 38279-50-4 knapsack NA NA +FL5F1GNS0003 Laurentinol;3,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one C17H14O7 330.07395 244248-20-2 knapsack NA NA +FL5F3CNS0004 7,3',4'-Trihydroxy-3,8-dimethoxyflavone C17H14O7 330.07395 38510-52-0 knapsack NA NA +FL5F3CNS0005 7,8,4'-Trihydroxy-3,3'-dimethoxyflavone;7,8-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 149981-96-4 knapsack NA NA +FL5FA8NS0005 3,5,2'-Trihydroxy-7,5'-dimethoxyflavone;3,5-Dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 74161-18-5 knapsack NA NA +FL5FA9NS0008 Morelosin C17H14O7 330.07395 62008-19-9 knapsack NA NA +FL5FAFNS0001 Dillenetin;3',4'-Dimethoxyquercetin;3,5,7-Trihydroxy-3',4'-dimethoxyflavone;2-(3,4-Dimethoxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one C17H14O7 330.07395 3306-29-4 knapsack NA NA +FL5FBDNS0001 Quercetin 5,3'-dimethyl ether;3,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 40554-94-7 knapsack NA NA +FL5FBENS0001 Quercetin 5,4'-dimethyl ether C17H14O7 330.07395 100648-56-4 knapsack NA NA +FL5FCDNS0001 Rhamnazin;3,4',5-Trihydroxy-3',7-dimethoxyflavone;7,3'-Di-O-methylquercetin;3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 552-54-5 knapsack NA NA +FL5FCENS0001 Ombuin;3,5,3'-Trihydroxy-7,4'-dimethoxyflavone;4',7-Dimethylquercetin;3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 529-40-8 knapsack NA NA +FL5FDCNM0001 6-C-Methylquercetin 3-methyl ether C17H14O7 330.07395 156298-98-5 knapsack NA NA +FL5FDCNM0002 8-C-Methylquercetin 3-methyl ether C17H14O7 330.07395 82318-51-2 knapsack NA NA +FL5FDCNS0002 Caryatin;3,5-Di-O-Methylquercetin;2-(3,4-Dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 1486-66-4 knapsack NA NA +FL5FDCNS0003 Quercetin 3,7-dimethyl ether;5,3',4'-Trihydroxy-3,7-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 02/02/2068 knapsack NA NA +FL5FDDNS0001 Quercetin 3,3'-dimethyl ether;5,7,4'-Trihydroxy-3,3'-dimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 4382-17-6 knapsack NA NA +FL5FDENS0001 Quercetin 3,4'-dimethyl ether;5,7,3'-Trihydroxy-3,4'-dimethoxyflavone;5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 33429-83-3 knapsack NA NA +FL5FEANS0008 5,7,4'-Trihydroxy-3,6-dimethoxyflavone;6-Methoxykaempferol 3-methyl ether;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 22697-65-0 knapsack NA NA +FL5FEANS0009 5,6,4'-Trihydroxy-3,7-dimethoxyflavone;6-Hydroxykaempferol 3,7-dimethyl ether;5,6-Dihydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 56226-95-0 knapsack NA NA +FL5FEANS0010 6-Hydroxykaempferol 5,6-dimethyl ether;3,7-Dihydroxy-2-(4-hydroxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 87339-62-6 knapsack NA NA +FL5FEANS0011 Eupalitin;6,7-Dimethoxy-3,5,4'-trihydroxyflavone;Betuletol;3,5-Dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 29536-41-2 knapsack NA NA +FL5FEANS0012 Betuletol;6,4'-Dimethoxy-3,5,7-trihydroxyflavone;3,5,7-Trihydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C17H14O7 330.07395 35214-88-1 knapsack NA NA +FL5FEANS0013 3,5,6-Trihydroxy-7,4'-dimethoxyflavone;3,5,6-Trihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C17H14O7 330.07395 99499-82-8 knapsack NA NA +FL5FEANS0020 5,6,7-Trihydroxy-3,4'-dimethoxyflavone;6-Hydroxykaempferol 3,4'-dimethyl ether;5,6,7-Trihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C17H14O7 330.07395 148323-92-6 knapsack NA NA +FL5FFANS0007 Herbacetin 3,7-dimethyl ether;3,7-Dimethylherbacetin;5,8-Dihydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 56305-03-4 knapsack NA NA +FL5FFANS0008 Herbacetin 3,8-dimethyl ether;5,7,4'-Trihydroxy-3,8-dimethoxyflavone;3,8-Dimethylherbacetin;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,8-dimethoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 14965-09-4 knapsack NA NA +FL5FFANS0009 Herbacetin 7,8-dimethyl ether;3,5,4'-Trihydroxy-7,8-dimethoxyflavone;3,5-Dihydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one C17H14O7 330.07395 71468-52-5 knapsack NA NA +FL5FFANS0010 Herbacetin 7,4'-dimethyl ether C17H14O7 330.07395 70703-48-9 knapsack NA NA +FL5FFANS0011 Prudomestin;3,5,7-Trihydroxy-4',8-dimethoxyflavone;3,5,7-Trihydroxy-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C17H14O7 330.07395 3443-28-5 knapsack NA NA +FL5FFANS0023 5,7,8-Trihydroxy-3,4'-dimethoxyflavone;5,7,8-Trihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C17H14O7 330.07395 97389-86-1 knapsack NA NA +FL5FG9NS0001 3,5,7-Trihydroxy-6,8-dimethoxyflavone;3,5,7-Trihydroxy-6,8-dimethoxy-2-phenyl-4H-1-benzopyran-4-one C17H14O7 330.07395 33183-51-6 knapsack NA NA +FL5FG9NS0008 5,7,8-Trihydroxy-3,6-dimethoxyflavone C17H14O7 330.07395 - knapsack NA NA +FL63ACNM0002 Dryopterin C17H14O7 330.07395 79214-53-2 knapsack NA NA +FLIAALNS0009 2'-Hydroxy-5'-methoxybiochanin A;5,7,2'-Trihydroxy-4',5'-dimethoxyisoflavone C17H14O7 330.07395 122127-74-6 knapsack NA NA +FLIAE8NS0003 Podospicatin;5,7,2'-Trihydroxy-6,5'-dimethoxyisoflavone C17H14O7 330.07395 479-97-0 knapsack NA NA +FLIAECNS0001 Iristectorigenin A;5,7,3'-Trihydroxy-6,4'-dimethoxyisoflavone C17H14O7 330.07395 37744-62-0 knapsack NA NA +FLIAECNS0002 Iristectorigenin B;5,7,4'-Trihydroxy-6,3'-dimethoxyisoflavone C17H14O7 330.07395 39012-01-6 knapsack NA NA +FLIAECNS0010 6-Methoxyorobol 7-methyl ether;5,3',4'-Trihydroxy-6,7-dimethoxyisoflavone C17H14O7 330.07395 111514-77-3 knapsack NA NA +FLIAFCNS0001 5,7,3'-Trihydroxy-8,4'-dimethoxyisoflavone C17H14O7 330.07395 56419-18-2 knapsack NA NA +FLIDECNS0001 Trifolian;1,3-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan C17H14O7 330.07395 73520-83-9 knapsack NA NA +FLIDHXNS0004 Hildecarpin;3,6a-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan C17H14O7 330.07395 99624-64-3 knapsack NA NA +FLIDHXNS0011 Tephrocarpin;3,6a-Dihydroxy-4-methoxy-8,9-methylenedioxypterocarpan C17H14O7 330.07395 87402-98-0 knapsack NA NA +FLIFHXNS0006 (-)-4,11,12a-Trihydroxy-9-methoxyrotenone C17H14O7 330.07395 106915-81-5 knapsack NA NA +FLNAFCNS0002 8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin C17H14O7 330.07395 123297-24-5 knapsack NA NA +MJ035822 1,2,3,4,5-Pentahydroxyanthraquinone; 1,2(or 3),4-Tri-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035823 1,2,3,5,7-Pentahydroxy-6-methylanthraquinone; 2,3-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035824 1,2,3,5,8-Pentahydroxy-6-methylanthraquinone; 1,3-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035825 1,2,3,5,8-Pentahydroxy-7-methylanthraquinone; 1,3-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035826 1,2,3,5-Tetrahydroxy-6-hydroxymethylanthraquinone; 1,3-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035827 1,2,3,6,7-Pentahydroxyxanthone; 1,2,3-Tri-Me, 6,7-methylene ether C17H14O7 330.073952 NA MeJP NA NA +MJ035828 1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 1,2-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035829 1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 1,3-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035830 1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 2,3-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035831 1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 2,8-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035832 1,2,3,7,8-Pentahydroxyxanthone; 2,3-Methylene, 1,7,8-tri-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035833 1,2,3,8,9-Pentahydroxypterocarpan, 2-Me, 8,9-methylene ether C17H14O7 330.073952 NA MeJP NA NA +MJ035834 1,2,4,5-Tetrahydroxy-7-hydroxymethylanthraquinone; 2,5-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035835 1,3,4,5,6-Pentahydroxy-2-methylanthraquinone; 4,5-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035836 1,3,4,5,7-Pentahydroxy-2-methylanthraquinone; 4,7-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035837 1,3,4,6,7-Pentahydroxyxanthone; 1,3,4-Tri-Me, 6,7-methylene ether C17H14O7 330.073952 NA MeJP NA NA +MJ035838 1,3,6,7-Tetrahydroxyxanthone; 3,7-Di-Me ether, 6-Ac C17H14O7 330.073952 NA MeJP NA NA +MJ035839 1,4,5,7-Tetrahydroxy-2-(1-hydroxypropyl)anthraquinone C17H14O7 330.073952 NA MeJP NA NA +MJ035840 2',3',5,6,7-Pentahydroxyisoflavone; 2',5-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035841 2',3',5,6,7-Pentahydroxyisoflavone; 2',7-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035842 2',3',5,7,8-Pentahydroxyisoflavone; 2',7-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035843 2',3,4',5,7-Pentahydroxyflavone; 2',4'-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035844 2',3,5,5',7-Pentahydroxyflavone; 5',7-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035845 2',4',5,5',6-Pentahydroxyflavone; 2',6-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035846 2',4',5,5',7-Pentahydroxyflavone; 4',5'-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035847 2',4',5,5',7-Pentahydroxyflavone; 5,7-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035848 2',4',5,5',7-Pentahydroxyisoflavanone, 4',5'-Methylene, 2'-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035849 2',4',5,5',7-Pentahydroxyisoflavone; 4',5'-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035850 2',5,5',6,7-Pentahydroxyisoflavone; 5',6-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035851 2',5,5',7,8-Pentahydroxyflavone; 7,8-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035852 2',5,6',7,8-Pentahydroxyflavone; 2',8-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035853 2',5,6',7,8-Pentahydroxyflavone; 7,8-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035854 2',5,6,7,8-Pentahydroxyflavone; 6,8-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035855 2',5,6,7,8-Pentahydroxyflavone; 7,8-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035856 2,3',4',5,7-Pentahydroxyisoflavone; 3',5-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035857 2,3',4'-Trihydroxyacetophenone; 2-O-(3,4-Dihydroxy-E-cinnamoyl) C17H14O7 330.073952 NA MeJP NA NA +MJ035858 2,3,6a,8,9-Pentahydroxypterocarpan; 2-Me, 8,9-methylene ether C17H14O7 330.073952 NA MeJP NA NA +MJ035859 2,3,6a,8,9-Pentahydroxypterocarpan; 3-Me, 8,9-methylene ether C17H14O7 330.073952 NA MeJP NA NA +MJ035860 2-Acetyl-1,3,6,8-tetrahydroxyanthraquinone; 1'R-Alcohol, 1'-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035861 3',4',5',6,7-Pentahydroxyflavone; 3',5'-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035862 3',4',5,5',7-Pentahydroxyflavone; 3',4'-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035863 3',4',5,5',7-Pentahydroxyflavone; 3',5-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035864 3',4',5,5',7-Pentahydroxyisoflavone; 3',5'-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035865 3',4',5,6,7-Pentahydroxyflavone; 3',7-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035866 3',4',5,6,7-Pentahydroxyflavone; 4',7-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035867 3',4',5,6,7-Pentahydroxyflavone; 5,6-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035868 3',4',5,6,7-Pentahydroxyflavone; 6,7-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035869 3',4',5,6,7-Pentahydroxyisoflavone; 3',6-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035870 3',4',5,6,7-Pentahydroxyisoflavone; 3',7-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035871 3',4',5,6,7-Pentahydroxyisoflavone; 4',6-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035872 3',4',5,6,7-Pentahydroxyisoflavone; 6,7-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035873 3',4',5,7,8-Pentahydroxyflavone; 3',8-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035874 3',4',5,7,8-Pentahydroxyflavone; 4',8-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035875 3',4',5,7,8-Pentahydroxyisoflavone; 3',8-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035876 3',4',5,7,8-Pentahydroxyisoflavone; 4',8-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035877 3',4',7-Trihydroxy-3,5-dimethoxyflavone C17H14O7 330.073952 NA MeJP NA NA +MJ035878 3',5,5',6,7-Pentahydroxyflavone; 3',6-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035879 3',5,7-Trihydroxy-3,4'-dimethoxyflavone C17H14O7 330.073952 NA MeJP NA NA +MJ035880 3',5,7-Trihydroxy-4',6-dimethoxyflavone C17H14O7 330.073952 NA MeJP NA NA +MJ035881 3,3',4',5',7-Pentahydroxyflavone; 3',5'-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035882 3,3',4',5,7-Pentahydroxy-6,8-dimethylflavone C17H14O7 330.073952 NA MeJP NA NA +MJ035883 3,3',4',5,7-Pentahydroxy-6-methylflavone; 3-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035884 3,3',4',5,7-Pentahydroxy-8-methylflavone; 3-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035885 3,3',4',5,7-Pentahydroxyflavone; 3',5-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035886 3,3',4',5,7-Pentahydroxyflavone; 3,7-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035887 3,3',4',5,7-Pentahydroxyflavone; 4',5-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035888 3,3',4',7,8-Pentahydroxyflavone; 3,3'-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035889 3,3',4',7,8-Pentahydroxyflavone; 3,8-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035890 3,3',4',7-Tetrahydroxyflavanone, 3-Ac C17H14O7 330.073952 NA MeJP NA NA +MJ035891 3,3',5,5',7-Pentahydroxyflavone; 3',5'-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035892 3,3',5-Trihydroxy-4',7-dimethoxyflavone C17H14O7 330.073952 NA MeJP NA NA +MJ035893 3,4',5,6,7-Pentahydroxyflavone; 3,6-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035894 3,4',5,6,7-Pentahydroxyflavone; 3,7-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035895 3,4',5,6,7-Pentahydroxyflavone; 5,6-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035896 3,4',5,7,8-Pentahydroxyflavone; 3,4'-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035897 3,4',5,7,8-Pentahydroxyflavone; 3,7-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035898 3,4',5,7,8-Pentahydroxyflavone; 4',7-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035899 3,4',5,7,8-Pentahydroxyflavone; 7,8-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035900 3,4',5,7-Tetrahydroxyflavanone, 3-Ac C17H14O7 330.073952 NA MeJP NA NA +MJ035901 3,4',5-Trihydroxy-3',7-dimethoxyflavone C17H14O7 330.073952 NA MeJP NA NA +MJ035902 3,4',5-Trihydroxy-6,7-dimethoxyflavone C17H14O7 330.073952 NA MeJP NA NA +MJ035903 3,4,6a,8,9-Pentahydroxypterocarpan; 4-Me, 8,9-Methylene ether C17H14O7 330.073952 NA MeJP NA NA +MJ035904 3,5,6,7,8-Pentahydroxyflavone; 6,8-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035905 3,5,7-Trihydroxy-3',4'-dimethoxyflavone C17H14O7 330.073952 NA MeJP NA NA +MJ035906 3,5,7-Trihydroxy-4',6-dimethoxyflavone C17H14O7 330.073952 NA MeJP NA NA +MJ035907 3,5,7-Trihydroxy-4',8-dimethoxyflavone C17H14O7 330.073952 NA MeJP NA NA +MJ035908 3,5,8-Trihydroxy-6-methoxy-2-(5-oxo-1,3-hexadienyl)-1,4-naphthoquinone C17H14O7 330.073952 NA MeJP NA NA +MJ035909 3-(3,4-Dihydroxybenzylidene)-5,6,7-trihydroxy-4-chromanone, 6-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035910 3-(3,4-Dihydroxybenzylidene)-5,7,8-trihydroxy-4-chromanone, 7-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035911 3-(3,4-Dihydroxybenzylidene)-5,7,8-trihydroxy-4-chromanone, 8-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035912 4',5,6,7,8-Pentahydroxyflavone; 4',6-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035913 4',5,6,7,8-Pentahydroxyflavone; 4',7-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035914 4',5,6,7,8-Pentahydroxyflavone; 4',8-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035915 4',5,6,7,8-Pentahydroxyflavone; 6,7-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035916 4',5,6,7,8-Pentahydroxyflavone; 6,8-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035917 4',5,6,7,8-Pentahydroxyflavone; 7,8-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035918 4',5,6,7,8-Pentahydroxyisoflavone; 6,8-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035919 4',5,7-Trihydroxy-3',5'-dimethoxyflavone C17H14O7 330.073952 NA MeJP NA NA +MJ035920 4',5,7-Trihydroxy-3',6-dimethoxyflavone C17H14O7 330.073952 NA MeJP NA NA +MJ035921 4',5,7-Trihydroxy-3,3'-dimethoxyflavone C17H14O7 330.073952 NA MeJP NA NA +MJ035922 4',5,7-Trihydroxy-3,8-dimethoxyflavone C17H14O7 330.073952 NA MeJP NA NA +MJ035923 4,9,11,12a-Tetrahydroxyrotenoid; 9-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035924 4-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035925 6,7-Dihydroxy-3-(2,3,4-trihydroxyphenyl)-2H-1-benzopyran-2-one; 2',4'-Di-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035926 6a,12a-Dihydro-4,9,11,12a-tetrahydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one; 9-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035927 Aflatoxin B1, 15,16-Dihydro, 16-hydroxy C17H14O7 330.073952 NA MeJP NA NA +MJ035928 Aflatoxin G1; 15,16-Dihydro C17H14O7 330.073952 NA MeJP NA NA +MJ035929 Aflatoxin M1; 15,16-Dihydro C17H14O7 330.073952 NA MeJP NA NA +MJ035930 Arizonin C1; 7-O-De-Me C17H14O7 330.073952 NA MeJP NA NA +MJ035931 Arizonin C1; 8-O-De-Me C17H14O7 330.073952 NA MeJP NA NA +MJ035932 Crombeone; 3'-Deoxy, 5'-hydroxy, O5-Me C17H14O7 330.073952 NA MeJP NA NA +MJ035933 Crombeone; 5-Me ether C17H14O7 330.073952 NA MeJP NA NA +MJ035934 Dryopterin C17H14O7 330.073952 NA MeJP NA NA +MJ035935 Erdin, Bis(dechloro), Me ester C17H14O7 330.073952 NA MeJP NA NA +MJ035936 Guarabin C17H14O7 330.073952 NA MeJP NA NA +MJ035937 Irispurinol C17H14O7 330.073952 NA MeJP NA NA +MJ035938 Isoguarabin C17H14O7 330.073952 NA MeJP NA NA +MJ035939 Lecideoidin; Bis(dechloro) C17H14O7 330.073952 NA MeJP NA NA +MJ035940 Norisonotatic acid C17H14O7 330.073952 NA MeJP NA NA +MJ035941 Notatic acid; O-De-Me C17H14O7 330.073952 NA MeJP NA NA +MJ035942 Pannaric acid; 2-Me ester C17H14O7 330.073952 NA MeJP NA NA +MJ035943 Pannaric acid; 6-Me ester C17H14O7 330.073952 NA MeJP NA NA +MJ035944 Remerin C17H14O7 330.073952 NA MeJP NA NA +MJ035945 Subnotatic acid C17H14O7 330.073952 NA MeJP NA NA +MJ035946 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3',5-Di-Me ether C17H15O7(+) 330.073952 NA MeJP NA NA +MJ035947 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+) C17H15O7(+) 330.073952 NA MeJP NA NA +MetaCyc02893 3',4',5-trihydroxy-3,7-dimethoxyflavone [3,7-di-O-methylquercetin;] C17H14O7 330.073953 NA metacyc NA NA +MetaCyc02894 cicerin [] C17H14O7 330.073953 NA metacyc NA NA +C01265 3',4',5-Trihydroxy-3,7-dimethoxyflavone C17H14O7 330.074 NA KEGG NA NA +C03036 (+)-Bisdechlorogeodin C17H14O7 330.074 NA KEGG NA NA +C03040 (-)-Bisdechlorogeodin C17H14O7 330.074 NA KEGG NA NA +C10033 Cirsiliol C17H14O7 330.074 NA KEGG NA NA +C10193 Tricin C17H14O7 330.074 NA KEGG NA NA +C10424 Hildecarpin C17H14O7 330.074 NA KEGG NA NA +C16754 Aflatoxin G2 C17H14O7 330.074 NA KEGG NA NA +C17670 Aurantio-obtusin C17H14O7 330.074 NA KEGG NA NA +MJ035948 Sulfenosine; S-Oxide C10H14N6O5S 330.074638 NA MeJP NA NA +MJ035949 5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene; 3-Methylbutanoyl C18H18O2S2 330.074821 NA MeJP NA NA +MJ035950 Aplysistatin; 12-Deoxo, 7?,8?-epoxide C15H23BrO3 330.083057 NA MeJP NA NA +MJ035951 Majapol D C15H23BrO3 330.083057 NA MeJP NA NA +MJ035952 Majapolene A C15H23BrO3 330.083057 NA MeJP NA NA +MJ035953 3-Chloro-1,2-epoxy-4,8,10-trihydroxy-11(13)-guaien-12,6-olide C15H19ClO6 330.087016 NA MeJP NA NA +MJ035954 8-[2-(3-Chlorophenyl)ethenyl]-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione C16H15ClN4O2 330.088353 NA MeJP NA NA +MJ035955 2-Benzyl-1,3-dihydroxyanthraquinone C21H14O4 330.089208 NA MeJP NA NA +MJ035956 (2,5-Dihydroxyphenyl)acetic acid; 2-O-?-D-Glucopyranoside C14H18O9 330.095082 NA MeJP NA NA +MJ035957 2',4',6'-Trihydroxyacetophenone; 2'-O-?-D-Glucopyranoside C14H18O9 330.095082 NA MeJP NA NA +MJ035958 2',4',6'-Trihydroxyacetophenone; 4'-O-?-D-Glucopyranoside C14H18O9 330.095082 NA MeJP NA NA +MJ035959 2,3-Dihydroxybenzoic acid; 3-Me ether, ?-D-glucopyranosyl ester C14H18O9 330.095082 NA MeJP NA NA +MJ035960 2,4-Dihydroxy-6-methylbenzoic acid; 2-O-?-D-Glucopyranoside C14H18O9 330.095082 NA MeJP NA NA +MJ035961 3'-Glucosyl-2',4',6'-trihydroxyacetophenone C14H18O9 330.095082 NA MeJP NA NA +MJ035962 3,4-Dihydroxybenzoic acid; 3-Me ether, 4-O-?-D-glucopyranoside C14H18O9 330.095082 NA MeJP NA NA +MJ035963 3,4-Dihydroxybenzoic acid; 3-O-?-D-Glucopyranoside, Me ester C14H18O9 330.095082 NA MeJP NA NA +MJ035964 4-Hydroxy-2-(hydroxymethyl)benzoic acid; 1'-O-?-D-Glucopyranoside C14H18O9 330.095082 NA MeJP NA NA +MJ035965 Mudanoside A C14H18O9 330.095082 NA MeJP NA NA +MJ035966 Naucleficine; 19-Hydroxy C20H14N2O3 330.100442 NA MeJP NA NA +MJ035967 4-(2-Chlorobenzyl)-5-oxo-4-phenylhexanoic acid C19H19ClO3 330.102272 NA MeJP NA NA +MJ035968 Atibeprone C17H18N2O3S 330.103813 NA MeJP NA NA +C08781 Samaderin A C18H18O6 330.1103 NA KEGG NA NA +C14894 3',6'-Dihydroxy-2',4,4'-trimethoxy-chalcone C18H18O6 330.1103 NA KEGG NA NA +C14997 2,3-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1- C18H18O6 330.1103 NA KEGG NA NA +C15019 2,3-Dihydro-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4- C18H18O6 330.1103 NA KEGG NA NA +C17413 Acetylshikonin C18H18O6 330.1103 NA KEGG NA NA +FL1CALNS0001 Cerasin C18H18O6 330.11033 64166-11-6 knapsack NA NA +FL1CDENS0001 3,2'-Dihydroxy-4,4',6'-trimethoxychalcone C18H18O6 330.11033 38186-71-9 knapsack NA NA +FL1CE8NS0001 2',4'-Dihydroxy-2,3',6'-trimethoxychalcone C18H18O6 330.11033 100079-39-8 knapsack NA NA +FL1CEANS0001 4,6'-Dihydroxy-2',3',4'-trimethoxychalcone C18H18O6 330.11033 59567-92-9 knapsack NA NA +FL1CEANS0002 4,2'-Dihydroxy-3',4',6'-trimethoxychalcone C18H18O6 330.11033 69616-74-6 knapsack NA NA +FL1CG9NS0001 Pedicin;2',5'-Dihydroxy-3',4',6'-trimethoxychalcone C18H18O6 330.11033 521-51-7 knapsack NA NA +FL1CG9NS0002 Isodidymocarpin C18H18O6 330.11033 71326-08-4 knapsack NA NA +FL1DHYNS0004 beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone C18H18O6 330.11033 70185-51-2 knapsack NA NA +FL2FA8NS0010 (2R)-5-Hydroxy-7,2',3'-trimethoxyflavanone C18H18O6 330.11033 652999-52-5 knapsack NA NA +FL2FADNM0001 5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone C18H18O6 330.11033 78417-14-8 knapsack NA NA +FL2FALNM0002 2'-Hydroxymatteucinol;5,7,2'-Trihydroxy-4'-methoxy-6,8-dimethylflavanone C18H18O6 330.11033 154320-34-0 knapsack NA NA +FL2FALNS0001 Cerasinone C18H18O6 330.11033 64166-14-9 knapsack NA NA +FL2FCFNS0001 Eriodictyol 7,3',4'-trimethyl ether C18H18O6 330.11033 70987-96-1 knapsack NA NA +FL2FEANS0005 5-Hydroxy-6,7,4'-trimethoxyflavanone C18H18O6 330.11033 75933-05-0 knapsack NA NA +FL2FEANS0007 4'-Hydroxy-5,6,7-trimethoxyflavanone C18H18O6 330.11033 72943-91-0 knapsack NA NA +FL2FF8NS0002 7-Hydroxy-5,8,2'-trimethoxyflavanone C18H18O6 330.11033 100079-34-3 knapsack NA NA +FL2FFANS0003 5-Hydroxy-7,8,4'-trimethoxyflavanone C18H18O6 330.11033 75933-07-2 knapsack NA NA +FL2FG9NS0002 Isopedicin C18H18O6 330.11033 - knapsack NA NA +FL2FG9NS0003 5-Hydroxy-6,7,8-trimethoxyflavanone C18H18O6 330.11033 75428-50-1 knapsack NA NA +FL2FG9NS0005 Kwangsienin A C18H18O6 330.11033 158848-28-3 knapsack NA NA +FL4DDANS0003 7-Hydroxy-3,5,4'-trimethoxyflavanone C18H18O6 330.11033 148645-97-0 knapsack NA NA +FL4DDBNS0001 (2R,3R)-3-Hydroxy-5,7,4'-trimethoxyflavanone C18H18O6 330.11033 76792-94-4 knapsack NA NA +FL63DCNS0001 3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether C18H18O6 330.11033 87562-72-9 knapsack NA NA +FL63PTNM0001 (+)-8-Hydroxy-5,5-dimethylpeltogynan C18H18O6 330.11033 132125-04-3 knapsack NA NA +FLIB1LNS0010 3'-O-Methylviolanone;7-Hydroxy-2',3',4'-trimethoxyisoflavanone C18H18O6 330.11033 56973-42-3 knapsack NA NA +FLIB1LNS0011 3'-Methoxyisosativanone C18H18O6 330.11033 71973-13-2 knapsack NA NA +FLID1LNS0002 9-O-Methylphilenopteran;3-Hydroxy-7,9,10-trimethoxypterocarpan C18H18O6 330.11033 22356-05-4 knapsack NA NA +FLID3CNS0007 Melilotocarpan C;4-Hydroxy-3,9,10-trimethoxypterocarpan C18H18O6 330.11033 83013-82-5 knapsack NA NA +FLID3CNS0008 Odoricarpan;10-Hydroxy-3,4,9-trimethoxypterocarpan C18H18O6 330.11033 101153-42-8 knapsack NA NA +FLID4ANS0001 4-Hydroxy-2,3,9-trimethoxypterocarpan C18H18O6 330.11033 56841-82-8 knapsack NA NA +MJ035969 1,2,3,5,6,7-Hexahydroxyphenanthrene; 1,2,5,6-Tetra-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035970 1,3,5-Trihydroxy-4-prenylxanthone; 3'-Hydroxy, 2',3'-dihydro C18H18O6 330.110338 NA MeJP NA NA +MJ035971 1,3,7-Trihydroxy-2-prenylxanthone; 2',3'-Dihydro, 3'-hydroxy C18H18O6 330.110338 NA MeJP NA NA +MJ035972 1-(4-Hydroxyphenyl)-1,2-ethanediol, 2-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) C18H18O6 330.110338 NA MeJP NA NA +MJ035973 1-(4-Hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-1,3-propanedione; 4,4',6'-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035974 2',3',4',5',6'-Pentahydroxychalcone; 2',3',5'-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035975 2',3',4',5',6'-Pentahydroxychalcone; 2',4',5'-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035976 2',3',4',7-Tetrahydroxyisoflavanone, 2',3',4'-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035977 2',3',4',7-Tetrahydroxyisoflavanone, 3',4',7-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035978 2',3',4,4',6'-Pentahydroxychalcone; 2',3',4'-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035979 2',3',4,4',6'-Pentahydroxychalcone; 3',4',6'-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035980 2',3,4,4',6'-Pentahydroxychalcone; 2',4,4'-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035981 2',4',5,7-Tetrahydroxy-6,8-dimethylflavanone, 4'-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035982 2',4',5,7-Tetrahydroxyflavanone, 2',4',5-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035983 2',5,5',7-Tetrahydroxy-6,8-dimethylflavanone, 5'-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035984 2',5,7,8-Tetrahydroxyflavanone, 2',5,8-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035985 2,2',3',4',6'-Pentahydroxychalcone; 2,2',3'-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035986 2,2',4,4',6'-Pentahydroxychalcone; 2,2',4-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035987 2,3,4,9-Tetrahydroxypterocarpan; 2,3,9-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035988 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-methyl-5-benzofurancarboxaldehyde, Carboxylic acid, 3',5-di-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035989 2-Formyl-2',3,3',5-tetrahydroxy-5'-methylbenzophenone; 2',3,3'-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035990 3',4',5,7-Tetrahydroxy-6,8-dimethylflavanone, 3'-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035991 3',4',5,7-Tetrahydroxyflavanone, 3',4',7-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035992 3,3',4',5,7-Pentahydroxyflavan, 3',4'-Methylene, 5,7-di-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035993 3,3',4',7-Tetrahydroxyflavanone, 3',4',7-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035994 3,4',5,7-Tetrahydroxyflavanone, 3,4',5-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035995 3,4',5,7-Tetrahydroxyflavanone, 4',5,7-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035996 3,4,9,10-Tetrahydroxypterocarpan; 3,4,9-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035997 3,4,9,10-Tetrahydroxypterocarpan; 3,9,10-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ035998 3,4-Dihydro-3,6,8,9-tetrahydroxy-3-methyl-1(2H)-anthracenone, 6-Me ether, 3-Ac C18H18O6 330.110338 NA MeJP NA NA +MJ035999 3,5,7-Trihydroxy-3-(4-hydroxybenzyl)-6-methyl-4-chromanone, 7-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036000 3,7,9,10-Tetrahydroxypterocarpan; 7,9,10-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036001 3-(3,4-Dihydroxybenzyl)-5,7-dihydroxy-4-chromanone; 3',4'-Di-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036002 3-(3,4-Dihydroxybenzyl)-5,7-dihydroxy-4-chromanone; 3',7-Di-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036003 3-(3,4-Dihydroxybenzyl)-5,7-dihydroxy-4-chromanone; 4',5-Di-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036004 3-(3,4-Dihydroxybenzyl)-5,7-dihydroxy-4-chromanone; 4',7-Di-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036005 3-(3,4-Dihydroxybenzyl)-5,7-dihydroxyphthalide; 3',4',5-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036006 3-(3,4-Dihydroxybenzyl)-5,7-dihydroxyphthalide; 3',5,7-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036007 3-(3,4-Dihydroxybenzyl)-6,7-dihydroxy-4-chromanone; 4',7-Di-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036008 3-Hydroxymethyl-3,5-cyclohexadiene-1,2-diol, 1,2-Di-Ac, 1'-benzoyl C18H18O6 330.110338 NA MeJP NA NA +MJ036009 4',5,6,7-Tetrahydroxyflavanone, 4',5,7-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036010 4',5,6,7-Tetrahydroxyflavanone, 4',6,7-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036011 4',5,6,7-Tetrahydroxyflavanone, 5,6,7-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036012 4',5,7,8-Tetrahydroxyflavanone, 4',7,8-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036013 5,6,7,8-Tetrahydroxyflavanone, 5,6,7-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036014 5,6,7,8-Tetrahydroxyflavanone, 5,6,8-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036015 5,6,7,8-Tetrahydroxyflavanone, 5,7,8-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036016 5,6,7,8-Tetrahydroxyflavanone, 6,7,8-Tri-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036017 5,6,7-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 4',6-Di-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036018 5,6a,7,12a-Tetrahydro-5,5-dimethyl[2]benzopyrano[4,3-b][1]benzopyran-2,3,8,10-tetrol C18H18O6 330.110338 NA MeJP NA NA +MJ036019 5,7,8-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone; 4',8-Di-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036020 5,7,8-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone; 7,8-Di-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036021 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-Ac C18H18O6 330.110338 NA MeJP NA NA +MJ036022 5,8-Dihydroxy-6,10-dimethoxy-2-propyl-4H-naphtho[2,3-b]pyran-4-one C18H18O6 330.110338 NA MeJP NA NA +MJ036023 6-(1,1-Dimethyl-2-propenyl)-4,6-dimethoxy-7H-furo[3,2-g][1]benzopyran-5,7(6H)-dione C18H18O6 330.110338 NA MeJP NA NA +MJ036024 Americanin A; 1-Alcohol C18H18O6 330.110338 NA MeJP NA NA +MJ036025 Americanol C18H18O6 330.110338 NA MeJP NA NA +MJ036026 Caloxanthone H C18H18O6 330.110338 NA MeJP NA NA +MJ036027 Colutequinone A C18H18O6 330.110338 NA MeJP NA NA +MJ036028 Colutequinone B C18H18O6 330.110338 NA MeJP NA NA +MJ036029 Dermochrysonol; 2'-Ketone C18H18O6 330.110338 NA MeJP NA NA +MJ036030 Elemiferone; 2'-Ac C18H18O6 330.110338 NA MeJP NA NA +MJ036031 Eucomol, 7-Me ether C18H18O6 330.110338 NA MeJP NA NA +MJ036032 Ficusal C18H18O6 330.110338 NA MeJP NA NA +MJ036033 Frenolicin; Deepoxy, 4a,10a-didehydro C18H18O6 330.110338 NA MeJP NA NA +MJ036034 Halfordinine C18H18O6 330.110338 NA MeJP NA NA +MJ036035 Isoamericanol A C18H18O6 330.110338 NA MeJP NA NA +MJ036036 Killarniensolide C18H18O6 330.110338 NA MeJP NA NA +MJ036037 Nordinone; 6,7,8,9-Tetradehydro, 4R,5R-epoxide C18H18O6 330.110338 NA MeJP NA NA +MJ036038 Podolactone E C18H18O6 330.110338 NA MeJP NA NA +MJ036039 Samaderine A C18H18O6 330.110338 NA MeJP NA NA +MJ036040 Scleroquinone C18H18O6 330.110338 NA MeJP NA NA +MJ036041 Sellowin B C18H18O6 330.110338 NA MeJP NA NA +MJ036042 Tricholomenyne B C18H18O6 330.110338 NA MeJP NA NA +HMDB11672 Aflatoxin B1 dialcohol C18H18O6 330.110352 NA HMDB2010 NA NA +MJ036043 Melibiitol C11H22O11 330.116211 NA MeJP NA NA +MJ036044 6-Bromo-5,9-hexadecadienoic acid C16H27BrO2 330.119442 NA MeJP NA NA +MJ036045 Miraxanthin III C17H18N2O5 330.121571 NA MeJP NA NA +MJ036046 Strychnovoline; O-(3-Pyridinecarboxylate) C17H18N2O5 330.121571 NA MeJP NA NA +C08556 Miraxanthin-III C17H18N2O5 330.1216 NA KEGG NA NA +MJ036047 Anisacril C22H18O3 330.125594 NA MeJP NA NA +MJ036048 Flumezapine C17H19FN4S 330.131445 NA MeJP NA NA +MJ036049 1,4,8,10,13-Pentahydroxy-2-guaien-12,6-olide, 1-Hydroperoxide C15H22O8 330.131467 NA MeJP NA NA +MJ036050 1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-O-?-D-Glucopyranoside C15H22O8 330.131467 NA MeJP NA NA +MJ036051 2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 4'-O-?-D-glucopyranoside C15H22O8 330.131467 NA MeJP NA NA +MJ036052 2-(3,4-Dihydroxyphenyl)ethanol; 4'-Me ether, 1-O-?-D-glucopyranoside C15H22O8 330.131467 NA MeJP NA NA +MJ036053 3-(4-Hydroxyphenyl)-1,2-propanediol, 4'-O-?-D-Glucopyranoside C15H22O8 330.131467 NA MeJP NA NA +MJ036054 6-Deoxyaucubigenin; 1-O-?-D-Glucopyranoside C15H22O8 330.131467 NA MeJP NA NA +MJ036055 Antirride C15H22O8 330.131467 NA MeJP NA NA +MJ036056 Crescentin V; 10-O-?-D-Glucopyranoside C15H22O8 330.131467 NA MeJP NA NA +MJ036057 Decaloside; 11-Deoxy C15H22O8 330.131467 NA MeJP NA NA +MJ036058 Dihydro-3-(1-hydroxy-2-butenylidene)-4-(hydroxymethyl)-2(3H)-furanone, 1'-O-?-L-Rhamnopyranoside C15H22O8 330.131467 NA MeJP NA NA +MJ036059 Linaride C15H22O8 330.131467 NA MeJP NA NA +MJ036060 Linarioloside C15H22O8 330.131467 NA MeJP NA NA +MJ036061 Lychnitoside C15H22O8 330.131467 NA MeJP NA NA +MJ036062 Tomentoside C15H22O8 330.131467 NA MeJP NA NA +MJ036063 3-[[4-[[4-(Aminoiminomethyl)phenyl]amino]-1,4-dioxobutyl]amino]-4-pentynoic acid C16H18N4O4 330.132805 NA MeJP NA NA +MJ036064 Pseudomonine C16H18N4O4 330.132805 NA MeJP NA NA +C17533 Gambirtannine C21H18N2O2 330.1368 NA KEGG NA NA +MJ036065 Gambirtannine C21H18N2O2 330.136827 NA MeJP NA NA +MJ036066 Ethynerone C20H23ClO2 330.138657 NA MeJP NA NA +C15073 17alpha-Chloroethynylestradiol C20H23ClO2 330.1387 NA KEGG NA NA +MJ036067 Alimemazine, S,S-Dioxide C18H22N2O2S 330.140198 NA MeJP NA NA +7641 ACE inhibitor from porcine myosin (308-310) TNP 330.1419 antioxidative Inhouse_peptide NA peptide +8254 ACE inhibitor AGSP 330.142 NA ;SYN:(+)-S-Ornithine; (S)-2,5-Diaminopentanoate; (S)-2,5-Diaminopentanoic acid; (S)-Ornithine; (S)-a,d-Diaminovalerate; (S)-a,d-Diaminovaleric acid; 5-amino-L-Norvaline; L-(-)-Ornithine; L-OrnithineH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +12 Myosin TNP 330.143 celiac toxic Inhouse_peptide NA peptide +C09173 Podolide C19H22O5 330.1467 NA KEGG NA NA +C11854 Gibberellin A51-catabolite C19H22O5 330.1467 NA KEGG NA NA +C11867 Gibberellin A7 C19H22O5 330.1467 NA KEGG NA NA +C11871 Gibberellin A5 C19H22O5 330.1467 NA KEGG NA NA +C18037 5-Deoxystrigol C19H22O5 330.1467 NA KEGG NA NA +MJ036068 1,10-Dihydroxy-9,15-cyclo-20-nor-16-gibberellene-7,19-dioic acid 10,19-lactone C19H22O5 330.146723 NA MeJP NA NA +MJ036069 1,10-Epoxy-6-hydroxy-2-furanoeremophilen-9-one, 6-(2-Methylpropanoyl) C19H22O5 330.146723 NA MeJP NA NA +MJ036070 1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-phenyl-1-propene C19H22O5 330.146723 NA MeJP NA NA +MJ036071 15,16-Epoxy-4-hydroxy-18-nor-1-oxo-2,13(16),14-clerodatrien-17,12-olide C19H22O5 330.146723 NA MeJP NA NA +MJ036072 17-Nor-8-oxo-3,13(16)-clerodadiene-15,16:18,19-diolide; ent-form C19H22O5 330.146723 NA MeJP NA NA +MJ036073 2,19:15,16-Diepoxy-18-nor-4-oxo-13(16),14-clerodadien-17,12-olide C19H22O5 330.146723 NA MeJP NA NA +MJ036074 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-(3-Methylbutanoyl) C19H22O5 330.146723 NA MeJP NA NA +MJ036075 2-(3-Methyl-2-oxiranyl)-1,4-benzenediol; Diangeloyl C19H22O5 330.146723 NA MeJP NA NA +MJ036076 20-Nor-1(10),16-gibberelladien-19,2-olid-7-oic acid, 1?,10?-Epoxide C19H22O5 330.146723 NA MeJP NA NA +MJ036077 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 5-Deoxy, 3'-Me ether C19H22O5 330.146723 NA MeJP NA NA +MJ036078 3,4-Epoxy-2-hydroxy-1(10),11(13)-guaiadien-12,6-olide, (2-Methylpropenoyl) C19H22O5 330.146723 NA MeJP NA NA +MJ036079 3,4-Epoxy-8-hydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl) C19H22O5 330.146723 NA MeJP NA NA +MJ036080 3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 6-(Methylpropenoyl) C19H22O5 330.146723 NA MeJP NA NA +MJ036081 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Methylpropenoyl) C19H22O5 330.146723 NA MeJP NA NA +MJ036082 3-(3,4-Dihydroxyphenyl)-1-propanol; 3'-Me ether, 1-O-[3-(4-hydroxyphenyl)propanoyl] C19H22O5 330.146723 NA MeJP NA NA +MJ036083 3-Hydroxyfuranoeremophilan-15,6-olide, O-(2-Methyl-2-propenoyl) C19H22O5 330.146723 NA MeJP NA NA +MJ036084 4,7-Epoxy-1,5-dihydro-8-hydroxy-11(13)-bourbonen-12,6-olide, 8-(2-Methylpropenoyl) C19H22O5 330.146723 NA MeJP NA NA +MJ036085 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Bis-O-(3-methyl-2-butenyl) C19H22O5 330.146723 NA MeJP NA NA +MJ036086 5,7-Dimethoxy-8-(2-methyl-1-oxo-2-butenyl)-4-propyl-2H-1-benzopyran-2-one C19H22O5 330.146723 NA MeJP NA NA +MJ036087 5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 6-Me ether, 3-O-tigloyl C19H22O5 330.146723 NA MeJP NA NA +MJ036088 5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 6-Me ether, 3-O-angeloyl C19H22O5 330.146723 NA MeJP NA NA +MJ036089 5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 6-Me ether, 3-O-tigloyl C19H22O5 330.146723 NA MeJP NA NA +MJ036090 6-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, O-(2-Methylpropenoyl) C19H22O5 330.146723 NA MeJP NA NA +MJ036091 7-Hydroxy-6-(7-hydroxy-3,7-dimethyl-2,5-octadienyl)-2H-1-benzopyran-2-one; 7'-Hydroperoxide C19H22O5 330.146723 NA MeJP NA NA +MJ036092 7-Hydroxy-8-(3-oxo-2-methylbutyl)-2H-1-benzopyran-2-one; O-(2,3-Epoxy-3-methylbutyl) C19H22O5 330.146723 NA MeJP NA NA +MJ036093 8,9-Dihydro-6-hydroxy-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]-1-benzopyran-2-one; 6-O-(3-Methyl-2-butenyl) C19H22O5 330.146723 NA MeJP NA NA +MJ036094 8-Hydroxy-4(15),11(13),10(14)-guaiatrien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) C19H22O5 330.146723 NA MeJP NA NA +MJ036095 9-Methyllongipesin; 9-O-Propanoyl C19H22O5 330.146723 NA MeJP NA NA +MJ036096 Anisocoumarin C C19H22O5 330.146723 NA MeJP NA NA +MJ036097 Antibiotic MM 240 C19H22O5 330.146723 NA MeJP NA NA +MJ036098 Asadanin; 10-Deoxo C19H22O5 330.146723 NA MeJP NA NA +MJ036099 Auraptene; 2',3'-Dihydro, 5'-oxo, 6',7'-epoxide C19H22O5 330.146723 NA MeJP NA NA +MJ036100 Auraptene; 5'?,8'-Dihydroxy(E,E-) C19H22O5 330.146723 NA MeJP NA NA +MJ036101 Auraptene; 6',7'-Dihydro, 7'-hydroxy, 5'?,6'?-epoxide C19H22O5 330.146723 NA MeJP NA NA +MJ036102 Auraptene; ?5'-Isomer, 7'-hydroxy, 2'?,3'?-epoxide C19H22O5 330.146723 NA MeJP NA NA +MJ036103 Auraptene; ?7'-Isomer, 5',6'-dihydroxy C19H22O5 330.146723 NA MeJP NA NA +MJ036104 Auraptene; ?7'-Isomer, 6'S-hydroperoxy C19H22O5 330.146723 NA MeJP NA NA +MJ036105 Baccharascoparone C19H22O5 330.146723 NA MeJP NA NA +MJ036106 Centrolobin, 4R,5S-Dihydroxy, O-de-Me C19H22O5 330.146723 NA MeJP NA NA +MJ036107 Centrolobin, 4S,5R-Dihydroxy, O-de-Me C19H22O5 330.146723 NA MeJP NA NA +MJ036108 Centrolobin, 4S,5S-Dihydroxy, O-de-Me C19H22O5 330.146723 NA MeJP NA NA +MJ036109 Cernuanone; 3-Methyl-2-butenoyl C19H22O5 330.146723 NA MeJP NA NA +MJ036110 Dihydrooroselol, O-(3-Methylbutanoyl) C19H22O5 330.146723 NA MeJP NA NA +MJ036111 Eriosematin D C19H22O5 330.146723 NA MeJP NA NA +MJ036112 Eriosematin E C19H22O5 330.146723 NA MeJP NA NA +MJ036113 Fragransol B C19H22O5 330.146723 NA MeJP NA NA +MJ036114 Gibberellin A105 C19H22O5 330.146723 NA MeJP NA NA +MJ036115 Gibberellin A20; 1,2-Didehydro C19H22O5 330.146723 NA MeJP NA NA +MJ036116 Gibberellin A31 C19H22O5 330.146723 NA MeJP NA NA +MJ036117 Gibberellin A4; 9,11-Didehydro C19H22O5 330.146723 NA MeJP NA NA +MJ036118 Gibberellin A5 C19H22O5 330.146723 NA MeJP NA NA +MJ036119 Gibberellin A61; 2,3-Didehydro C19H22O5 330.146723 NA MeJP NA NA +MJ036120 Gibberellin A7 C19H22O5 330.146723 NA MeJP NA NA +MJ036121 Gibberellin A9; 9,11-Didehydro, 13?-hydroxy C19H22O5 330.146723 NA MeJP NA NA +MJ036122 Hericenone A C19H22O5 330.146723 NA MeJP NA NA +MJ036123 Imperanene C19H22O5 330.146723 NA MeJP NA NA +MJ036124 Ineleganolide C19H22O5 330.146723 NA MeJP NA NA +MJ036125 Isogibberellic acid; 13-Deoxy C19H22O5 330.146723 NA MeJP NA NA +MJ036126 Kirialovin C19H22O5 330.146723 NA MeJP NA NA +MJ036127 Lactiflorasyne C19H22O5 330.146723 NA MeJP NA NA +MJ036128 Leachianone H C19H22O5 330.146723 NA MeJP NA NA +MJ036129 Lomatin, O-3-Methylbutanoyl C19H22O5 330.146723 NA MeJP NA NA +MJ036130 Lunamarin A C19H22O5 330.146723 NA MeJP NA NA +MJ036131 Macquarimicin A C19H22O5 330.146723 NA MeJP NA NA +MJ036132 Magnolignan B; 4'-Deoxy, 6'-hydroxy, 7-Me ether C19H22O5 330.146723 NA MeJP NA NA +MJ036133 Marmin, 6'-Ketone C19H22O5 330.146723 NA MeJP NA NA +MJ036134 Milanjilactone B; 7?,8?-Epoxide C19H22O5 330.146723 NA MeJP NA NA +MJ036135 Nagilactone A; 1-Deoxy, 2,3-didehydro C19H22O5 330.146723 NA MeJP NA NA +MJ036136 Nagilactone F; 2,3-Didehydro, 16-hydroxy C19H22O5 330.146723 NA MeJP NA NA +MJ036137 Podolide C19H22O5 330.146723 NA MeJP NA NA +MJ036138 Poncimarin C19H22O5 330.146723 NA MeJP NA NA +MJ036139 Purdilactone B C19H22O5 330.146723 NA MeJP NA NA +MJ036140 Thannilignan C19H22O5 330.146723 NA MeJP NA NA +MetaCyc02895 GA7 [gibberellin A7;gibberellin A7;GA7;] C19H22O5 330.146724 NA metacyc NA NA +MetaCyc02896 GA51-catabolite [gibberellin A51-catabolite;gibberellin A51-catabolite;GA51-catabolite;] C19H22O5 330.146724 NA metacyc NA NA +PJ000330 SPQ C13H22N4O6 330.1539 NA PeJP NA NA +MJ036141 Antibiotic CB 25-II C13H22N4O6 330.153934 NA MeJP NA NA +MJ036142 Antibiotic SF 2448; Antibiotic SF 2448B C13H22N4O6 330.153934 NA MeJP NA NA +PJ000331 GGPT C13H22N4O6 330.154 NA PeJP NA NA +MJ036143 3-(4-Hydroxyphenyl)-N-[4-(3-methyl-2,5-dioxo-1-pyrrolidinyl)butyl]-2-propenamide C18H22N2O4 330.157957 NA MeJP NA NA +MJ036144 Pseudophryne Alkaloid 330 C18H22N2O4 330.157957 NA MeJP NA NA +MJ036145 Quinocarcin C18H22N2O4 330.157957 NA MeJP NA NA +HMDB05796 Picrocrocin C16H26O7 330.167847 NA HMDB2010 NA NA +HMDB05796 Picrocrocin C16H26O7 330.16785 http://www.hmdb.ca/metabolites/HMDB05796 HMDB NA NA +HMDB05796 Picrocrocin C16H26O7 330.16785 HMDB05796 PFEM_hmdb_metabocards_official NA NA +MJ036146 1,4,6,8,15-Pentahydroxy-11(13)-eudesmen-12-oic acid, Me ester C16H26O7 330.167853 NA MeJP NA NA +MJ036147 1-Hydroxy-3,7-dimethyl-2,6-octadien-5-one; 1-O-?-D-Glucopyranoside C16H26O7 330.167853 NA MeJP NA NA +MJ036148 10-Hydroxy-p-menth-8-en-3-one; O-?-D-Glucopyranoside C16H26O7 330.167853 NA MeJP NA NA +MJ036149 10-Hydroxyfenchone, O-?-D-Glucopyranoside C16H26O7 330.167853 NA MeJP NA NA +MJ036150 2-Methyl-6-methylene-2-octene-1,8-diol, 1-Aldehyde, 8-O-?-D-glucopyranoside C16H26O7 330.167853 NA MeJP NA NA +MJ036151 2-Pinene-4,10-diol; 4-O-?-D-Glucopyranoside C16H26O7 330.167853 NA MeJP NA NA +MJ036152 2-Pinene-9,10-diol; 10-O-?-D-Glucopyranoside C16H26O7 330.167853 NA MeJP NA NA +MJ036153 3-(Hydroxymethyl)-2,4,4-trimethyl-2-cyclohexen-1-one; O-?-D-Glucopyranoside C16H26O7 330.167853 NA MeJP NA NA +MJ036154 3-Myodeserten-1-ol, 1-O-?-D-Glucopyranoside C16H26O7 330.167853 NA MeJP NA NA +MJ036155 4-(Hydroxymethyl)-3,5,5-trimethyl-2-cyclohexen-1-one, O-?-D-Glucopyranoside C16H26O7 330.167853 NA MeJP NA NA +MJ036156 4-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde; O-?-D-Glucopyranoside C16H26O7 330.167853 NA MeJP NA NA +MJ036157 5-Hydroxyfenchone, O-?-D-Glucopyranoside C16H26O7 330.167853 NA MeJP NA NA +MJ036158 6-Hydroxy-2,6-dimethyl-1,7-octadien-3-one, O-?-D-Glucopyranoside C16H26O7 330.167853 NA MeJP NA NA +MJ036159 6-Hydroxy-2-bornanone, O-?-D-Glucopyranoside C16H26O7 330.167853 NA MeJP NA NA +MJ036160 6-Hydroxyfenchone, O-?-D-Glucopyranoside C16H26O7 330.167853 NA MeJP NA NA +MJ036161 8-Hydroxy-2,6-dimethyl-2,5-octadien-4-one, O-?-D-Glucopyranoside C16H26O7 330.167853 NA MeJP NA NA +MJ036162 8-Hydroxy-3-thujanone; 8-O-?-D-Glucopyranoside C16H26O7 330.167853 NA MeJP NA NA +MJ036163 9-Hydroxy-p-menth-4(8)-en-3-one, O-?-D-Glucoside C16H26O7 330.167853 NA MeJP NA NA +MJ036164 D-glycero-D-galacto-Heptose; ?-Pyranose-form, 1,2:3,4:6,7-Tri-O-isopropylidene C16H26O7 330.167853 NA MeJP NA NA +MJ036165 Iridodial; 1-O-?-D-Glucopyranoside C16H26O7 330.167853 NA MeJP NA NA +MJ036166 Minioluteic acid C16H26O7 330.167853 NA MeJP NA NA +MJ036167 Prostaglandin F-M C16H26O7 330.167853 NA MeJP NA NA +MJ036168 Schizonepetoside A C16H26O7 330.167853 NA MeJP NA NA +MJ036169 Schizonepetoside B C16H26O7 330.167853 NA MeJP NA NA +C11656 8-Epiiridodial glucoside C16H26O7 330.1679 NA KEGG NA NA +C11670 Iridodial glucoside C16H26O7 330.1679 NA KEGG NA NA +C17055 Picrocrocin C16H26O7 330.1679 NA KEGG NA NA +C17634 Schizonepetoside A C16H26O7 330.1679 NA KEGG NA NA +C17635 Schizonepetoside B C16H26O7 330.1679 NA KEGG NA NA +C17636 Schizonepetoside C C16H26O7 330.1679 NA KEGG NA NA +C17637 Schizonepetoside D C16H26O7 330.1679 NA KEGG NA NA +MJ036170 Pirsidomine C17H22N4O3 330.16919 NA MeJP NA NA +MJ036171 1a-Hydroxymagnocurarine C19H24NO4 330.170533 NA MeJP NA NA +3749 NA KPS 330.178 ACE inhibitor Inhouse_peptide NA peptide +MJ036172 Antibiotic AM 4299A C15H26N2O6 330.179086 NA MeJP NA NA +C09069 Carnosol C20H26O4 330.1831 NA KEGG NA NA +C14162 Gibberellin A15 C20H26O4 330.1831 NA KEGG NA NA +C14529 Dicyclohexyl phthalate C20H26O4 330.1831 NA KEGG NA NA +HMDB02121 Carnosol C20H26O4 330.183105 NA HMDB2010 NA NA +MJ036173 1(9),6,13-Xenicatriene-17,18:19,18-diolide C20H26O4 330.183109 NA MeJP NA NA +MJ036174 1,10-Epoxyfuranoeremophilan-3-ol, 3-Angeloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036175 1,10-Epoxyfuranoeremophilan-3-ol, 3-Tigloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036176 1,10-Epoxyfuranoeremophilan-6-ol, 6-Angeloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036177 1,10-Epoxyfuranoeremophilan-6-ol, 6-Tigloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036178 1,10-Epoxyfuranoeremophilan-6-ol, O-(3-Methyl-2-butenoyl) C20H26O4 330.183109 NA MeJP NA NA +MJ036179 1,10-Epoxyfuranoeremophilan-6-ol, 6-Angeloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036180 1,3,13-Clerodatrien-15,16-olid-18-oic acid; 5?-form C20H26O4 330.183109 NA MeJP NA NA +MJ036181 1-Hydroxy-2,4(15)-eudesmadien-12,6-olide, 3-Methyl-2-butenoyl C20H26O4 330.183109 NA MeJP NA NA +MJ036182 11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; enol-form, 14-Deoxy C20H26O4 330.183109 NA MeJP NA NA +MJ036183 11,12,16-Trihydroxy-5,8,11,13-abietatetraen-7-one C20H26O4 330.183109 NA MeJP NA NA +MJ036184 11,12-Epoxy-13-hydroxy-3,7,15(17)-cembratrien-16,2-olide, 13-Ketone C20H26O4 330.183109 NA MeJP NA NA +MJ036185 11,14,16-Trihydroxy-7,9(11),13-abietatriene-6,12-dione, 16-Deoxy C20H26O4 330.183109 NA MeJP NA NA +MJ036186 11,16-Dihydroxy-7,9(11),13-cassatriene-6,12-dione C20H26O4 330.183109 NA MeJP NA NA +MJ036187 11-Hydroxy-1(10),3-guaiadien-12,6-olide, Angeloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036188 12,16-Dihydroxy-8,11,13-abietatriene-3,7-dione C20H26O4 330.183109 NA MeJP NA NA +MJ036189 12-Hydroxy-8,12-abietadiene-7,11,14-trione C20H26O4 330.183109 NA MeJP NA NA +MJ036190 14,19-Dihydroxy-8,11,13-abietatriene-3,7-dione C20H26O4 330.183109 NA MeJP NA NA +MJ036191 14-Hydroxy-1(10),4,7(11)-germacratrien-12,6-olide, O-Angeloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036192 14-Hydroxy-15-oxo-3,5(10),11-cyathatrien-17-oic acid; 14?-form C20H26O4 330.183109 NA MeJP NA NA +MJ036193 15,16-Epoxy-1-hydroxy-3,13(16),14-clerodatrien-18,19-olide C20H26O4 330.183109 NA MeJP NA NA +MJ036194 15,16-Epoxy-12-hydroxy-3,13(16),14-clerodatrien-18,6-olide C20H26O4 330.183109 NA MeJP NA NA +MJ036195 15,16-Epoxy-12-oxo-3,13(16),14-clerodatrien-18,6-olide, 3,4?-Dihydro C20H26O4 330.183109 NA MeJP NA NA +MJ036196 15,16-Epoxy-19-nor-2-oxo-3,13(16),14-clerodatrien-20-oic acid, Me ester C20H26O4 330.183109 NA MeJP NA NA +MJ036197 15,16-Epoxy-2-hydroxy-1(10),13(16),14-clerodatrien-18,19-olide C20H26O4 330.183109 NA MeJP NA NA +MJ036198 15,16-Epoxy-2-hydroxy-3,12,13(16),14-clerodatetraen-18-oic acid C20H26O4 330.183109 NA MeJP NA NA +MJ036199 15,16-Epoxy-3,12-dihydroxy-8(17),13(16),14-labdatrien-2-one, 12-Ketone C20H26O4 330.183109 NA MeJP NA NA +MJ036200 15,16-Epoxy-3,12-dioxo-13(16),14-clerodadien-20-al C20H26O4 330.183109 NA MeJP NA NA +MJ036201 15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 18-Carboxylic acid, 19-aldehyde C20H26O4 330.183109 NA MeJP NA NA +MJ036202 15,16-Epoxy-3,5-dihydroxy-13(16),14-halimadien-20,12-olide, 5-Deoxy, 5,6-didehydro C20H26O4 330.183109 NA MeJP NA NA +MJ036203 15,16-Epoxy-3,6-dihydroxy-8(17),13(16),14-labdatrien-12-one, 3-Ketone C20H26O4 330.183109 NA MeJP NA NA +MJ036204 15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatrien-18,6-olide C20H26O4 330.183109 NA MeJP NA NA +MJ036205 15,16-Epoxy-6,7-dihydroxy-3,13(16),14-clerodatrien-18-oic acid, 18?6 Lactone C20H26O4 330.183109 NA MeJP NA NA +MJ036206 15,16-Epoxy-7-hydroxy-3,13(16),14-clerodatrien-18,19-olide C20H26O4 330.183109 NA MeJP NA NA +MJ036207 15,16-Epoxy-8(17),13(16),14-labdatrien-19-oic acid, 12-Oxo C20H26O4 330.183109 NA MeJP NA NA +MJ036208 15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Methyl-2-butenoyl C20H26O4 330.183109 NA MeJP NA NA +MJ036209 17(15?16)-Abeo-7,12-dihydroxy-8,12,16-abietatriene-11,14-dione; 7?-form C20H26O4 330.183109 NA MeJP NA NA +MJ036210 17-Hebemacrophyllidoic acid C20H26O4 330.183109 NA MeJP NA NA +MJ036211 18,19-Dihydroxy-3,13-clerodadien-15,16-olide; 5?-form, 18-Carboxylic acid, 18?19 lactone C20H26O4 330.183109 NA MeJP NA NA +MJ036212 19(4?3)-Abeo-11,12,14-trihydroxy-3,8,11,13-abietatraen-7-one C20H26O4 330.183109 NA MeJP NA NA +MJ036213 19(4?3)-Abeo-6,11-epoxy-6,12-dihydroxy-6,7-seco-4(18),8,11,13-abietatetraen-7-al; 6?-form C20H26O4 330.183109 NA MeJP NA NA +MJ036214 19-Hydroxy-8,12-abietadiene-11,14-dione; 19-Carboxylic acid C20H26O4 330.183109 NA MeJP NA NA +MJ036215 2,6,11-Trihydroxy-7,9(11),13-abietatrien-12-one, 6-Ketone C20H26O4 330.183109 NA MeJP NA NA +MJ036216 2-Bornanol, O-(4-Hydroxy-3-methoxycinnamoyl)(E-) C20H26O4 330.183109 NA MeJP NA NA +MJ036217 2-Bornanol, O-(4-Hydroxy-3-methoxycinnamoyl)(Z-) C20H26O4 330.183109 NA MeJP NA NA +MJ036218 2-Bornanol, O-(4-Hydroxy-3-methoxycinnamoyl)(E-) C20H26O4 330.183109 NA MeJP NA NA +MJ036219 2-Hydroxyfuranoeremophilan-9-one, Angeloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036220 20(10?9)-Abeo-13-hydroxy-15-oxo-16-kauren-19,10-olide C20H26O4 330.183109 NA MeJP NA NA +MJ036221 3,13-Clerodadiene-15,16:18,19-diolide C20H26O4 330.183109 NA MeJP NA NA +MJ036222 3,13-Clerodadiene-15,16:18,6-diolide C20H26O4 330.183109 NA MeJP NA NA +MJ036223 3,14-Dihydroxy-7,9(11),15-pimaratriene-2,12-dione C20H26O4 330.183109 NA MeJP NA NA +MJ036224 3,19-Dihydroxy-8,12-abietadiene-11,14-dione, 3-Ketone C20H26O4 330.183109 NA MeJP NA NA +MJ036225 3,3',4,4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl C20H26O4 330.183109 NA MeJP NA NA +MJ036226 3,4-Epoxy-13-hydroxy-7,11,15(17)-cembratrien-16,14-olide, Ketone C20H26O4 330.183109 NA MeJP NA NA +MJ036227 3,4:15,16-Diepoxy-13(16),14-clerodadien-20,12-olide C20H26O4 330.183109 NA MeJP NA NA +MJ036228 3,7,11,15(17)-Cembratetraen-16,2-olid-19-oic acid C20H26O4 330.183109 NA MeJP NA NA +MJ036229 3,7-Dimethyl-1,6-octadiene-3,4-diol, 4-O-(4-Methoxycinnamoyl)(E-) C20H26O4 330.183109 NA MeJP NA NA +MJ036230 3-(10-Hydroxygeranyl)-p-coumaric acid, 4-Me ether C20H26O4 330.183109 NA MeJP NA NA +MJ036231 3-(4-Hydroxygeranyl)-p-coumaric acid, 4-Me ether C20H26O4 330.183109 NA MeJP NA NA +MJ036232 3-Bornanol, O-(4-Hydroxy-3-methoxycinnamoyl) C20H26O4 330.183109 NA MeJP NA NA +MJ036233 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 2-Methylbutanoyl C20H26O4 330.183109 NA MeJP NA NA +MJ036234 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-Methylbutanoyl C20H26O4 330.183109 NA MeJP NA NA +MJ036235 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 3-Methylbutanoyl C20H26O4 330.183109 NA MeJP NA NA +MJ036236 3-Hydroxyfuranoeremophilan-9-one, 3-Methyl-2-butenoyl C20H26O4 330.183109 NA MeJP NA NA +MJ036237 3-Hydroxyfuranoeremophilan-9-one, Angeloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036238 4,4'-Dihydroxy-3,3'-dimethoxylignan C20H26O4 330.183109 NA MeJP NA NA +MJ036239 5,12-Dihydroxy-6,8,12-abietatriene-11,14-dione; 5?-form C20H26O4 330.183109 NA MeJP NA NA +MJ036240 5-Hydroxy-1-oxo-8,11,13-abietatrien-18-oic acid; 5?-form C20H26O4 330.183109 NA MeJP NA NA +MJ036241 6,12-Dihydroxy-8,11,13-abietatriene-1,7-dione C20H26O4 330.183109 NA MeJP NA NA +MJ036242 6,7,11-Trihydroxy-5,7,9(11),13-abietatetraen-12-one C20H26O4 330.183109 NA MeJP NA NA +MJ036243 6-Hydroxyfuranoeremophil-1(10)-en-9-one, O-(3-Methylbutanoyl) C20H26O4 330.183109 NA MeJP NA NA +MJ036244 6-Hydroxyfuranoeremophilan-9-one, Angeloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036245 6-Hydroxyfuranoeremophilan-9-one, O-(3-Methyl-2-butenoyl) C20H26O4 330.183109 NA MeJP NA NA +MJ036246 6-Hydroxyfuranoeremophilan-9-one, O-Tigloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036247 6-Hydroxyfuranoeremophilan-9-one, 3-Methyl-2-butenoyl C20H26O4 330.183109 NA MeJP NA NA +MJ036248 6-Hydroxyfuranoeremophilan-9-one, Angeloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036249 6-Hydroxyfuranoeremophilan-9-one, O-Tigloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036250 6-Oxo-7,11,13-labdatrien-16,15-olide, 7-Hydroxy C20H26O4 330.183109 NA MeJP NA NA +MJ036251 7,13-Labdadiene-15,16:17,12-diolide C20H26O4 330.183109 NA MeJP NA NA +MJ036252 7,14-Dihydroxy-1,16-kauradiene-3,15-dione C20H26O4 330.183109 NA MeJP NA NA +MJ036253 7,20-Epoxy-12-hydroxy-8,12-abietadiene-11,14-dione C20H26O4 330.183109 NA MeJP NA NA +MJ036254 8,11,13-Cleistanthatriene-17,19-dioic acid C20H26O4 330.183109 NA MeJP NA NA +MJ036255 8,14-Epoxy-13(15)-abieten-16,12-olide, 11?,12?-Epoxide C20H26O4 330.183109 NA MeJP NA NA +MJ036256 8,14-Epoxy-3-hydroxy-9(11),15-pimaradiene-2,12-dione C20H26O4 330.183109 NA MeJP NA NA +MJ036257 8,9;15,16-Diepoxy-11-oxo-12-cleistanthen-17-al C20H26O4 330.183109 NA MeJP NA NA +MJ036258 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Angeloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036259 8-Hydroxy-1,3,11(13)-eudesmatrien-12,6-olide, 8-(3-Methylbutanoyl) C20H26O4 330.183109 NA MeJP NA NA +MJ036260 8-Hydroxy-4(15),11(13),10(14)-guaiatrien-12,6-olide, 8-(3-Methylbutanoyl) C20H26O4 330.183109 NA MeJP NA NA +MJ036261 8-Hydroxy-4(15),9,11(13)-guaiatrien-12,6-olide, 8-(3-Methylbutanoyl) C20H26O4 330.183109 NA MeJP NA NA +MJ036262 9,11-Epoxy-15-oxo-16-atisen-19-oic acid C20H26O4 330.183109 NA MeJP NA NA +MJ036263 9-Hydroxy-10,16-octadecadiene-12,14-diynoic acid, Ac C20H26O4 330.183109 NA MeJP NA NA +MJ036264 ?1-Tetrahydrocannabivarolic acid C20H26O4 330.183109 NA MeJP NA NA +MJ036265 Aissatone C20H26O4 330.183109 NA MeJP NA NA +MJ036266 Bertyadionol B C20H26O4 330.183109 NA MeJP NA NA +MJ036267 Cannabichromevarinic acid C20H26O4 330.183109 NA MeJP NA NA +MJ036268 Cannabidivarinic acid C20H26O4 330.183109 NA MeJP NA NA +MJ036269 Carnosol C20H26O4 330.183109 NA MeJP NA NA +MJ036270 Caudicifolin C20H26O4 330.183109 NA MeJP NA NA +MJ036271 Conyscabraic acid; 5?-Hydroxy C20H26O4 330.183109 NA MeJP NA NA +MJ036272 Conyzaleucolide B C20H26O4 330.183109 NA MeJP NA NA +MJ036273 Crinipellin A C20H26O4 330.183109 NA MeJP NA NA +MJ036274 Crotoxide A C20H26O4 330.183109 NA MeJP NA NA +MJ036275 Cynajapogenin A C20H26O4 330.183109 NA MeJP NA NA +MJ036276 Fujenal C20H26O4 330.183109 NA MeJP NA NA +MJ036277 Furanoeremophil-1(10)-ene-3,6-diol, 6-(3-Methyl-2-butenoyl) C20H26O4 330.183109 NA MeJP NA NA +MJ036278 Furanoeremophil-1(10)-ene-3,6-diol, 6-Angeloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036279 Furanoeremophil-1(10)-ene-3,6-diol, 6-Tigloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036280 Furanoeremophil-1(10)-ene-4,6-diol, 6-(3-Methyl-2-butenoyl) C20H26O4 330.183109 NA MeJP NA NA +MJ036281 Furanoeremophil-1(10)-ene-4,6-diol, 6-Angeloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036282 Furanoeremophil-1(10)-ene-4,6-diol, 6-Tigloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036283 Furanoeremophil-1(10)-ene-6,9-diol, 6-(3-Methyl-2-butenoyl) C20H26O4 330.183109 NA MeJP NA NA +MJ036284 Furanoeremophil-1(10)-ene-6,9-diol, 6-Angeloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036285 Furanoeremophil-1(10)-ene-6,9-diol, 6-(3-Methyl-2-butenoyl) C20H26O4 330.183109 NA MeJP NA NA +MJ036286 Furanoeremophil-1(10)-ene-6,9-diol, 6-Angeloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036287 Furanoeremophilane-1,6-diol, 1-Ketone, 6-(3-methyl-2-butenoyl) C20H26O4 330.183109 NA MeJP NA NA +MJ036288 Furanoeremophilane-1,6-diol, 1-Ketone, 6-angeloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036289 Furanoeremophilane-1,6-diol, 1-Ketone, 6-tigloyl C20H26O4 330.183109 NA MeJP NA NA +MJ036290 Gelomulide C C20H26O4 330.183109 NA MeJP NA NA +MJ036291 Gibberellin A15 C20H26O4 330.183109 NA MeJP NA NA +MJ036292 Gutierrezial C20H26O4 330.183109 NA MeJP NA NA +MJ036293 Hebemacrophyllide; 19-Aldehyde C20H26O4 330.183109 NA MeJP NA NA +MJ036294 Helioscopinolide A; 2-Oxo C20H26O4 330.183109 NA MeJP NA NA +MJ036295 Helioscopinolide A; 9-Hydroxy, 3-ketone C20H26O4 330.183109 NA MeJP NA NA +MJ036296 Hyperguinone A C20H26O4 330.183109 NA MeJP NA NA +MJ036297 Hyptol C20H26O4 330.183109 NA MeJP NA NA +MJ036298 Incanpteroniolide C20H26O4 330.183109 NA MeJP NA NA +MJ036299 Jatrophatrione; 3?,4?-Epoxide C20H26O4 330.183109 NA MeJP NA NA +MJ036300 Lasiosperman; 6,7-Didehydro(E-), 5-(3-methylbutanoyloxy) C20H26O4 330.183109 NA MeJP NA NA +MJ036301 Momilactone B C20H26O4 330.183109 NA MeJP NA NA +MJ036302 Obtuanhydride C20H26O4 330.183109 NA MeJP NA NA +MJ036303 Pallavicinin C20H26O4 330.183109 NA MeJP NA NA +MJ036304 Printzianic acid; 1,2-Didehydro, 5?-hydroxy, 10?-hydro C20H26O4 330.183109 NA MeJP NA NA +MJ036305 Pulic acid; 15-Deoxy C20H26O4 330.183109 NA MeJP NA NA +MJ036306 Salvilimbinol; 4-Deoxy, 4,18-didehydro C20H26O4 330.183109 NA MeJP NA NA +MJ036307 Sapriparaquinone; 4-Hydroxy C20H26O4 330.183109 NA MeJP NA NA +MJ036308 Secochiliolide aldehyde C20H26O4 330.183109 NA MeJP NA NA +MJ036309 Stemolide C20H26O4 330.183109 NA MeJP NA NA +MJ036310 Strictic acid; 12R-Hydroxy C20H26O4 330.183109 NA MeJP NA NA +MJ036311 Strictic acid; 15,16-Dihydro, 15-oxo C20H26O4 330.183109 NA MeJP NA NA +MJ036312 Strictic acid; 15,16-Dihydro, 16-oxo C20H26O4 330.183109 NA MeJP NA NA +MJ036313 Strictic acid; 7?-Hydroxy C20H26O4 330.183109 NA MeJP NA NA +MJ036314 Taiwaniaquinone A C20H26O4 330.183109 NA MeJP NA NA +MJ036315 Teuvincenone G; 3-Deoxo C20H26O4 330.183109 NA MeJP NA NA +MetaCyc02897 GA15 (closed lactone form) [gibberellin A15 (closed lactone form);GA15 (closed lactone form);gibberellin A15 (closed lactone form);] C20H26O4 330.183109 NA metacyc NA NA +HMDB02121 Carnosol C20H26O4 330.18311 http://www.hmdb.ca/metabolites/HMDB02121 HMDB NA NA +HMDB02121 Carnosol C20H26O4 330.18311 HMDB02121 PFEM_hmdb_metabocards_official NA NA +PJ000332 SPK C14H26N4O5 330.1903 NA PeJP NA NA +MJ036316 1,2,3,4,4a,6,7,11b,12,13a-Decahydro-9,10-dimethoxy-13H-dibenzo[a,f]quinolizin-13-one; Oxime C19H26N2O3 330.194342 NA MeJP NA NA +MJ036317 14,15-Voaphyllinediol, 19?-Hydroxy C19H26N2O3 330.194342 NA MeJP NA NA +MJ036318 Gymnamine C19H26N2O3 330.194342 NA MeJP NA NA +MJ036319 Isoxaprolol C19H26N2O3 330.194342 NA MeJP NA NA +PJ000333 GVR C13H26N6O4 330.2016 NA PeJP NA NA +7741 ACE inhibitor RR 330.202 antioxidative Inhouse_peptide NA peptide +MJ036320 10-Bisabolene-1,2,3,6,7-pentol, 1-Ac C17H30O6 330.204238 NA MeJP NA NA +MJ036321 10-Bisabolene-1,2,3,6,7-pentol, 2-Ac C17H30O6 330.204238 NA MeJP NA NA +MJ036322 10-Bisabolene-1,2,3,6,7-pentol, 3-Ac C17H30O6 330.204238 NA MeJP NA NA +PJ000334 RR C12H26N8O3 330.2128 NA PeJP NA NA +7569 ACE inhibitor from chicken muscle LKA 330.215 antioxidative Inhouse_peptide NA peptide +7626 ACE inhibitor from k-CN (fr, 22-24) IAK 330.215 antioxidative Inhouse_peptide NA peptide +8132 peptide derived from dried bonito KAI 330.215 stimulating Inhouse_peptide NA peptide +39 Creatine kinase LKA 330.216 celiac toxic Inhouse_peptide NA peptide +CJpos0758 17-Hydroxyprogesterone [(M+H)]+ C21H31O3 330.218975 C18rt(min)=9.81 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0759 Deoxycorticosterone [(M+H)]+ C21H31O3 330.218975 C18rt(min)=9.61 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0758 17-Hydroxyprogesterone [(M+H)]+ C21H31O3 330.218975 C18rt(min)=9.81 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0759 Deoxycorticosterone [(M+H)]+ C21H31O3 330.218975 C18rt(min)=9.61 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB00016 Deoxycorticosterone C21H30O3 330.21948 http://www.hmdb.ca/metabolites/HMDB00016 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00374 17-Hydroxyprogesterone C21H30O3 330.21948 http://www.hmdb.ca/metabolites/HMDB00374 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00016 Deoxycorticosterone C21H30O3 330.21948 http://www.hmdb.ca/metabolites/HMDB00016 HMDB NA NA +HMDB00374 17-Hydroxyprogesterone C21H30O3 330.21948 http://www.hmdb.ca/metabolites/HMDB00374 HMDB NA NA +HMDB00920 11a-Hydroxyprogesterone C21H30O3 330.21948 http://www.hmdb.ca/metabolites/HMDB00920 HMDB NA NA +HMDB00016 Deoxycorticosterone C21H30O3 330.21948 http://www.hmdb.ca/metabolites/HMDB00016 PFEM_hmdb_metabocards_blood NA blood +HMDB00374 17-Hydroxyprogesterone C21H30O3 330.21948 http://www.hmdb.ca/metabolites/HMDB00374 PFEM_hmdb_metabocards_blood NA blood +HMDB00016 Deoxycorticosterone C21H30O3 330.21948 HMDB00016 PFEM_hmdb_metabocards_official NA NA +HMDB00374 17-Hydroxyprogesterone C21H30O3 330.21948 HMDB00374 PFEM_hmdb_metabocards_official NA NA +HMDB00920 11a-Hydroxyprogesterone C21H30O3 330.21948 HMDB00920 PFEM_hmdb_metabocards_official NA NA +HMDB00016 Deoxycorticosterone C21H30O3 330.219482 NA HMDB2010 NA NA +HMDB00374 17-Hydroxyprogesterone C21H30O3 330.219482 NA HMDB2010 NA NA +HMDB00920 11a-Hydroxyprogesterone C21H30O3 330.219482 NA HMDB2010 NA NA +MJ036323 11-Deoxycorticosterone C21H30O3 330.219494 NA MeJP NA NA +MJ036324 11alpha-Hydroxyprogesterone C21H30O3 330.219494 NA MeJP NA NA +MJ036325 11beta-Hydroxyprogesterone C21H30O3 330.219494 NA MeJP NA NA +MJ036326 17alpha-Hydroxyprogesterone C21H30O3 330.219494 NA MeJP NA NA +MJ036327 1,11-Di-3-furanyl-4,8-dimethyl-6-undecanone C21H30O3 330.219494 NA MeJP NA NA +MJ036328 1,3-Dihydroxypregna-5,16-dien-20-one C21H30O3 330.219494 NA MeJP NA NA +MJ036329 11,14-Dihydroxy-8,11,13-abietatrien-3-one; 14-Me ether C21H30O3 330.219494 NA MeJP NA NA +MJ036330 12,14-Dihydroxy-8,11,13-abietatrien-3-one; 12-Me ether C21H30O3 330.219494 NA MeJP NA NA +MJ036331 12,14-Dihydroxy-8,11,13-abietatrien-3-one; 14-Me ether C21H30O3 330.219494 NA MeJP NA NA +MJ036332 12-Hydroxy-6,7-seco-8,11,13-abietatriene-6,7-dial; Me ether C21H30O3 330.219494 NA MeJP NA NA +MJ036333 12-Hydroxypregn-16-ene-3,20-dione C21H30O3 330.219494 NA MeJP NA NA +MJ036334 12-Hydroxypregn-4-ene-3,20-dione; 12?-form C21H30O3 330.219494 NA MeJP NA NA +MJ036335 12-Hydroxypregn-4-ene-3,20-dione; 12?-form C21H30O3 330.219494 NA MeJP NA NA +MJ036336 13-Hydroxy-8,11,13-totaratriene-1,3-dione; 3?-Alcohol, 13-Me ether C21H30O3 330.219494 NA MeJP NA NA +MJ036337 15,16-Epoxy-8(17),13(16),14-labdatrien-19-oic acid, Me ester C21H30O3 330.219494 NA MeJP NA NA +MJ036338 16-Hydroxypregn-4-ene-3,20-dione; 16?-form C21H30O3 330.219494 NA MeJP NA NA +MJ036339 17-Hydroxyestr-4-en-3-one; 17?-form, Propanoyl C21H30O3 330.219494 NA MeJP NA NA +MJ036340 17-Hydroxypregn-4-ene-3,20-dione C21H30O3 330.219494 NA MeJP NA NA +MJ036341 18-Vouacapanol; 18-Carboxylic acid, Me ester C21H30O3 330.219494 NA MeJP NA NA +MJ036342 19-Vouacapanol; 19-Carboxylic acid, Me ester C21H30O3 330.219494 NA MeJP NA NA +MJ036343 2-Alkyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furans; 2-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-5-octylfuran C21H30O3 330.219494 NA MeJP NA NA +MJ036344 21-Hydroxypregn-4-ene-3,20-dione C21H30O3 330.219494 NA MeJP NA NA +MJ036345 3,4-Dihydroxypregna-5,17(20)-dien-16-one C21H30O3 330.219494 NA MeJP NA NA +MJ036346 3,9-Calamenenediol, 9-Angeloyl, 3-Me ether C21H30O3 330.219494 NA MeJP NA NA +MJ036347 3-Hydroxy-9,11-eremophiladien-8-one, O-(2Z-Hexenoyl) C21H30O3 330.219494 NA MeJP NA NA +MJ036348 3-Hydroxy-9,11-eremophiladien-8-one, O-(3-Methyl-2E-pentenoyl) C21H30O3 330.219494 NA MeJP NA NA +MJ036349 3-Hydroxypregn-5-ene-7,20-dione C21H30O3 330.219494 NA MeJP NA NA +MJ036350 4-Hydroxy-6-pentadecyl-2H-pyran-2-one; 1',2',3',4',13',14'-Hexadehydro (all-E), Me ether C21H30O3 330.219494 NA MeJP NA NA +MJ036351 6-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1,2,4-benzenetriol C21H30O3 330.219494 NA MeJP NA NA +MJ036352 8(14),15-Isopimaradiene-7,18-diol; 7?-form, 18-Carboxylic acid, 7-ketone, Me ester C21H30O3 330.219494 NA MeJP NA NA +MJ036353 8,11,13-Abietatriene-12,20-diol; 20-Carboxylic acid, Me ether C21H30O3 330.219494 NA MeJP NA NA +MJ036354 8,11,13-Abietatriene-15,18-diol; 18-Carboxylic acid, Me ester C21H30O3 330.219494 NA MeJP NA NA +MJ036355 8,11,13-Abietatriene-7,11,12-triol; 7?-form, 7-Ketone, 11-Me ether C21H30O3 330.219494 NA MeJP NA NA +MJ036356 8,11,13-Abietatriene-7,11,12-triol; 7?-form, 7-Ketone, 12-Me ether C21H30O3 330.219494 NA MeJP NA NA +MJ036357 Avarol; 6'-Hydroxy C21H30O3 330.219494 NA MeJP NA NA +MJ036358 Cannabielsoin A C21H30O3 330.219494 NA MeJP NA NA +MJ036359 Carnosol; Deoxo, O12-Me C21H30O3 330.219494 NA MeJP NA NA +MJ036360 Estra-1,3,5(10)-triene-3,16,17-triol, Tri-Me ether C21H30O3 330.219494 NA MeJP NA NA +MJ036361 Furanoeremophil-1(10)-en-3-ol, 3-(3-Methylpentanoyl) C21H30O3 330.219494 NA MeJP NA NA +MJ036362 Furanoeremophilan-3-ol, 3-Methyl-2-pentenoyl C21H30O3 330.219494 NA MeJP NA NA +MJ036363 Furospongenol C21H30O3 330.219494 NA MeJP NA NA +MJ036364 Furospongin 1 C21H30O3 330.219494 NA MeJP NA NA +MJ036365 Helioporin B C21H30O3 330.219494 NA MeJP NA NA +MJ036366 Paradol; [10]Paradol, 1,2,4,5-Tetradehydro (E,E-) C21H30O3 330.219494 NA MeJP NA NA +MJ036367 Phomopsidin C21H30O3 330.219494 NA MeJP NA NA +MJ036368 Pyrethrin I; 4',5'-Dihydro C21H30O3 330.219494 NA MeJP NA NA +MJ036369 Trestolone; 17-Ac C21H30O3 330.219494 NA MeJP NA NA +MJ036370 Tricycloalternarene 3a C21H30O3 330.219494 NA MeJP NA NA +MJ036371 Tridachiahydropyrone C21H30O3 330.219494 NA MeJP NA NA +MJ036372 Turriculoic acid B, 7'-Alcohol C21H30O3 330.219494 NA MeJP NA NA +MJ036373 Ulocladol A C21H30O3 330.219494 NA MeJP NA NA +MJ036374 Verticoic acid; Me ester C21H30O3 330.219494 NA MeJP NA NA +MetaCyc02898 testosterone acetate [] C21H30O3 330.219495 1045-69-8 metacyc NA NA +MetaCyc02899 20-hydroxy-3-oxopregn-4-en-21-al [] C21H30O3 330.219495 NA metacyc NA NA +MetaCyc02900 17-α-hydroxyprogesterone [] C21H30O3 330.219495 NA metacyc NA NA +MetaCyc02901 16-α-hydroxyprogesterone [16-hydroxyprogesterone;16-α-hydroxyprogesterone;] C21H30O3 330.219495 438-07-3 metacyc NA NA +MetaCyc02902 11-deoxycorticosterone [deoxycorticosterone;cortexone;21-hydroxy-4-pregnene-3,20-dione;] C21H30O3 330.219495 NA metacyc NA NA +MetaCyc02903 11α-Hydroxyprogesterone [] C21H30O3 330.219495 80-75-1 metacyc NA NA +MetaCyc02904 17a-hydroxy-progesterone [] C21H30O3 330.219495 NA metacyc NA NA +C01176 17alpha-Hydroxyprogesterone C21H30O3 330.2195 NA KEGG NA NA +C03027 Testosterone acetate C21H30O3 330.2195 NA KEGG NA NA +C03205 11-Deoxycorticosterone C21H30O3 330.2195 NA KEGG NA NA +C03747 11alpha-Hydroxyprogesterone C21H30O3 330.2195 NA KEGG NA NA +C03748 16alpha-Hydroxyprogesterone C21H30O3 330.2195 NA KEGG NA NA +C04108 20-Hydroxy-3-oxopregn-4-en-21-al C21H30O3 330.2195 NA KEGG NA NA +C05498 11beta-Hydroxyprogesterone C21H30O3 330.2195 NA KEGG NA NA +C10838 Turricolol E C21H30O3 330.2195 NA KEGG NA NA +C14654 12alpha-Hydroxyprogesterone C21H30O3 330.2195 NA KEGG NA NA +C14881 17-Hydroxy-3-oxo-19-nor-5alpha,17alpha-pregnane-21-carboxylic acid, C21H30O3 330.2195 NA KEGG NA NA +C14984 17-Hydroxy-3-oxo-19-nor-5beta,17alpha-pregnane-21-carboxylic acid, C21H30O3 330.2195 NA KEGG NA NA +C14995 3-Methoxy-16-ethylestra-1,3,5(10)-triene-16beta,17beta-diol C21H30O3 330.2195 NA KEGG NA NA +C15132 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione C21H30O3 330.2195 NA KEGG NA NA +C15154 4beta,5beta-Epoxypregnane-3,20-dione C21H30O3 330.2195 NA KEGG NA NA +C15364 15alpha-Hydroxyprogesterone C21H30O3 330.2195 NA KEGG NA NA +C15409 17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate C21H30O3 330.2195 NA KEGG NA NA +C16780 Jasmolin I C21H30O3 330.2195 NA KEGG NA NA +PJ000335 ALK C15H30N4O4 330.2267 NA PeJP NA NA +MJ036375 Antibiotic KA 6606IX; 1-Epimer, 1-Me, 4',5'-dehydro C15H30N4O4 330.226705 NA MeJP NA NA +MJ036376 Dipiproverine C20H30N2O2 330.230728 NA MeJP NA NA +MJ036377 Furazabol C20H30N2O2 330.230728 NA MeJP NA NA +MJ036378 Guettardine C20H30N2O2 330.230728 NA MeJP NA NA +EUR116 9,10-13-TriHOME C18H34O5 330.2406 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR118 9,12-13-TriHOME C18H34O5 330.2406 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR116 9,10-13-TriHOME C18H34O5 330.2406 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR118 9,12-13-TriHOME C18H34O5 330.2406 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR116 9,10-13-TriHOME C18H34O5 330.2406 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR118 9,12-13-TriHOME C18H34O5 330.2406 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR116 9,10-13-TriHOME C18H34O5 330.2406 Wishlist Inhousejuil11 NA NA +EUR118 9,12-13-TriHOME C18H34O5 330.2406 Wishlist Inhousejuil11 NA NA +C14833 9,12,13-TriHOME C18H34O5 330.2406 NA KEGG NA NA +C14835 9,10,13-TriHOME C18H34O5 330.2406 NA KEGG NA NA +C14837 9,10-Dihydroxy-12,13-epoxyoctadecanoate C18H34O5 330.2406 NA KEGG NA NA +MJ036379 5,8,12-Trihydroxy-9-octadecenoic acid C18H34O5 330.240624 NA MeJP NA NA +MJ036380 6,9,10-Trihydroxy-7-octadecenoic acid C18H34O5 330.240624 NA MeJP NA NA +MJ036381 8,11,12-Trihydroxy-9-octadecenoic acid C18H34O5 330.240624 NA MeJP NA NA +MJ036382 9,10,13-Trihydroxy-11-octadecenoic acid C18H34O5 330.240624 NA MeJP NA NA +MJ036383 9,10,18-Trihydroxy-12-octadecenoic acid C18H34O5 330.240624 NA MeJP NA NA +MJ036384 9,12,13-Trihydroxy-10,15-octadecadienoic acid, 15,16-Dihydro C18H34O5 330.240624 NA MeJP NA NA +MJ036385 9-Hydroxyoctadecanedioic acid C18H34O5 330.240624 NA MeJP NA NA +EUR116 9,10-13-TriHOME C18H34O5 330.240625 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR118 9,12-13-TriHOME C18H34O5 330.240625 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR116 9,10-13-TriHOME C18H34O5 330.240625 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR118 9,12-13-TriHOME C18H34O5 330.240625 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR116 9,10-13-TriHOME C18H34O5 330.240625 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR118 9,12-13-TriHOME C18H34O5 330.240625 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR116 9,10-13-TriHOME C18H34O5 330.240625 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR118 9,12-13-TriHOME C18H34O5 330.240625 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR116 9,10-13-TriHOME C18H34O5 330.240625 Wishlist HMDB NA NA +EUR118 9,12-13-TriHOME C18H34O5 330.240625 Wishlist HMDB NA NA +EUR116 9,10-13-TriHOME C18H34O5 330.240625 Wishlist Inhouse_PFEM NA NA +EUR118 9,12-13-TriHOME C18H34O5 330.240625 Wishlist Inhouse_PFEM NA NA +EUR116 9,10-13-TriHOME C18H34O5 330.240625 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR118 9,12-13-TriHOME C18H34O5 330.240625 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR116 9,10-13-TriHOME C18H34O5 330.240625 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR118 9,12-13-TriHOME C18H34O5 330.240625 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB04708 9,12,13-TriHOME C18H34O5 330.24063 http://www.hmdb.ca/metabolites/HMDB04708 HMDB NA NA +HMDB04708 9,12,13-TriHOME C18H34O5 330.24063 HMDB04708 PFEM_hmdb_metabocards_official NA NA +HMDB04708 9,12,13-TriHOME C18H34O5 330.240631 NA HMDB2010 NA NA +HMDB04710 9,10,13-TriHOME C18H34O5 330.240631 NA HMDB2010 NA NA +EUR124 docosapentaenoic acid C22H34O2 330.25588 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR128 n-3docosapentaenoicacid (C22:5) C22H34O2 330.25588 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR124 docosapentaenoic acid C22H34O2 330.25588 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR128 n-3docosapentaenoicacid (C22:5) C22H34O2 330.25588 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR124 docosapentaenoic acid C22H34O2 330.25588 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR128 n-3docosapentaenoicacid (C22:5) C22H34O2 330.25588 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR124 docosapentaenoic acid C22H34O2 330.25588 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR128 n-3docosapentaenoicacid (C22:5) C22H34O2 330.25588 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR124 docosapentaenoic acid C22H34O2 330.25588 Wishlist HMDB NA NA +EUR128 n-3docosapentaenoicacid (C22:5) C22H34O2 330.25588 Wishlist HMDB NA NA +EUR124 docosapentaenoic acid C22H34O2 330.25588 Wishlist Inhouse_PFEM NA NA +EUR128 n-3docosapentaenoicacid (C22:5) C22H34O2 330.25588 Wishlist Inhouse_PFEM NA NA +MJ036386 1(19),6,10(17),13-Xenicatetraen-18-ol; Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036387 1,3,7,11-Cembratetraen-13-ol, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036388 1,3,7,11-Cembratetraen-14-ol, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036389 1,3,7,11-Cembratetraen-6-ol, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036390 1-Phenyl-1,3-hexadecanedione C22H34O2 330.25588 NA MeJP NA NA +MJ036391 13(17)-Villanoven-2-ol; 2?-form, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036392 13,17-Spatadien-5-ol; Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036393 16-Atisen-19-ol; ent-form, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036394 16-Kauren-18-ol; ent-form, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036395 16-Kauren-19-ol; ent-form, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036396 16-Kauren-7-ol, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036397 2-Methyl-5-(8,11,14-pentadecatrienyl)-1,3-benzenediol, 14,15-Dihydro C22H34O2 330.25588 NA MeJP NA NA +MJ036398 20-Methyl-4,7,10,13,16-heneicosapentaenoic acid C22H34O2 330.25588 NA MeJP NA NA +MJ036399 3,4-Secomansumbinoic acid C22H34O2 330.25588 NA MeJP NA NA +MJ036400 3,7,11,15-Cembratetraen-19-ol; Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036401 3,7,11,15-Cembratetraen-2-ol, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036402 3-Hydroxy-13(17)-mansumbinen-16-one C22H34O2 330.25588 NA MeJP NA NA +MJ036403 4,7,10,13,16-Docosapentaenoic acid C22H34O2 330.25588 NA MeJP NA NA +MJ036404 4,8,12,15,19-Docosapentaenoic acid C22H34O2 330.25588 NA MeJP NA NA +MJ036405 4,8,18-Dolabellatrien-16-ol, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036406 4,8,18-Dolabellatrien-3-ol, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036407 5,8,11,14,17-Eicosapentaenoic acid, Et ester C22H34O2 330.25588 NA MeJP NA NA +MJ036408 6-(5,8,11-Heptadecatrienyl)-5,6-dihydro-2H-pyran-2-one C22H34O2 330.25588 NA MeJP NA NA +MJ036409 7,10,13,16,19-Docosapentaenoic acid C22H34O2 330.25588 NA MeJP NA NA +MJ036410 7,13-Abietadien-2-ol, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036411 7,15-Isopimaradien-17-ol, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036412 7,15-Pimaradien-18-ol, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036413 7-Hydroxy-1,3,5,10,14-phytapentaen-13-one, Et ether C22H34O2 330.25588 NA MeJP NA NA +MJ036414 7-Trachylobanol, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036415 8(17),12,14-Labdatrien-19-ol, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036416 8(17),12,14-Labdatrien-3-ol, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036417 8,11,13-Abietatriene-2,12-diol; 2?-form, Di-Me ether C22H34O2 330.25588 NA MeJP NA NA +MJ036418 9(11),15-Pimaradien-19-ol; ent-form, Ac C22H34O2 330.25588 NA MeJP NA NA +MJ036419 Anagestone C22H34O2 330.25588 NA MeJP NA NA +MJ036420 Cannabigerol; Mono-Me ether C22H34O2 330.25588 NA MeJP NA NA +MJ036421 Clathrin A C22H34O2 330.25588 NA MeJP NA NA +MJ036422 Durbinal C C22H34O2 330.25588 NA MeJP NA NA +MJ036423 Topterone C22H34O2 330.25588 NA MeJP NA NA +MetaCyc02905 taxa-4(20),11-dien-5-α-yl acetate [] C22H34O2 330.25588 NA metacyc NA NA +EUR124 docosapentaenoic acid C22H34O2 330.25588 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR128 n-3docosapentaenoicacid (C22:5) C22H34O2 330.25588 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR124 docosapentaenoic acid C22H34O2 330.25588 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR128 n-3docosapentaenoicacid (C22:5) C22H34O2 330.25588 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB01976 Docosapentaenoic acid C22H34O2 330.25589 http://www.hmdb.ca/metabolites/HMDB01976 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01976 Docosapentaenoic acid C22H34O2 330.25589 http://www.hmdb.ca/metabolites/HMDB01976 HMDB NA NA +HMDB01976 Docosapentaenoic acid C22H34O2 330.25589 http://www.hmdb.ca/metabolites/HMDB01976 PFEM_hmdb_metabocards_blood NA blood +HMDB01976 Docosapentaenoic acid C22H34O2 330.25589 HMDB01976 PFEM_hmdb_metabocards_official NA NA +HMDB01976 Docosapentaenoic acid C22H34O2 330.25589 NA HMDB2010 NA NA +HMDB06528 Clupanodonic acid C22H34O2 330.25589 NA HMDB2010 NA NA +HMDB13123 4,7,10,13,16-Docosapentaenoic acid C22H34O2 330.25589 NA HMDB2010 NA NA +EUR124 docosapentaenoic acid C22H34O2 330.2559 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR128 n-3docosapentaenoicacid (C22:5) C22H34O2 330.2559 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR124 docosapentaenoic acid C22H34O2 330.2559 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR128 n-3docosapentaenoicacid (C22:5) C22H34O2 330.2559 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR124 docosapentaenoic acid C22H34O2 330.2559 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR128 n-3docosapentaenoicacid (C22:5) C22H34O2 330.2559 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR124 docosapentaenoic acid C22H34O2 330.2559 Wishlist Inhousejuil11 NA NA +EUR128 n-3docosapentaenoicacid (C22:5) C22H34O2 330.2559 Wishlist Inhousejuil11 NA NA +C11896 Taxa-4(20),11(12)-dien-5alpha-yl acetate C22H34O2 330.2559 NA KEGG NA NA +C15413 17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one C22H34O2 330.2559 NA KEGG NA NA +C15421 2-Methyl-5alpha-androst-2-en-17beta-ol acetate C22H34O2 330.2559 NA KEGG NA NA +C16184 (5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoic acid ethyl ester C22H34O2 330.2559 NA KEGG NA NA +C16513 (7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid C22H34O2 330.2559 NA KEGG NA NA +C16514 Beta-amyloid protein 40 C22H34O2 330.2559 NA KEGG NA NA +C16515 Beta-amyloid protein 42 C22H34O2 330.2559 NA KEGG NA NA +MJ036424 Sameridine C21H34N2O 330.267113 NA MeJP NA NA +HMDB11533 MG(0:0/16:0/0:0) C19H38O4 330.277008 NA HMDB2010 NA NA +HMDB11564 MG(16:0/0:0/0:0) C19H38O4 330.277008 NA HMDB2010 NA NA +MJ036425 Glycerol 1-alkanoates; Glycerol 1-(14-methylpentadecanoate) C19H38O4 330.277009 NA MeJP NA NA +MJ036426 16-Tricosene-2,4-diyn-1-ol C23H38O 330.292265 NA MeJP NA NA +MJ036427 2-(1,10-Nonadecadienyl)furan C23H38O 330.292265 NA MeJP NA NA +MJ036428 3-Heptadecylphenol; 12',13'-Didehydro C23H38O 330.292265 NA MeJP NA NA +MJ036429 3-Heptadecylphenol; 7',8'-Didehydro(Z-) C23H38O 330.292265 NA MeJP NA NA +MJ036430 3-Heptadecylphenol; 8',9'-Didehydro C23H38O 330.292265 NA MeJP NA NA +MJ036431 Teprenone C23H38O 330.292265 NA MeJP NA NA +C13297 Geranylgeranylacetone C23H38O 330.2923 NA KEGG NA NA +C13298 Transferred to D01828 C23H38O 330.2923 NA KEGG NA NA +MJ036432 20-Fluoroeicosanoic acid C20H39FO2 330.293408 NA MeJP NA NA +MJ036433 Pregn-5-ene-3,20-diamine, N20-Me C22H38N2 330.303499 NA MeJP NA NA +MJ036434 Pregn-5-ene-3,20-diamine, N3-Me C22H38N2 330.303499 NA MeJP NA NA +MJ036435 3-[(13-Methylhexadecyl)oxy]-1,2-propanediol C20H42O3 330.313395 NA MeJP NA NA +MJ036436 Des-A-lup-9-ene; 9?,10?-Dihydro C24H42 330.328651 NA MeJP NA NA +MJ036437 Secohopane I C24H42 330.328651 NA MeJP NA NA +3584 NA GRKSSK 330.687 MH2+ Inhouse_peptide NA peptide +MJ036438 Convolutamydines; Convolutamydine D C10H7Br2NO2 330.884353 NA MeJP NA NA +MJ036439 Antibiotic TAN 876A C13H8Cl3NO3 330.956976 NA MeJP NA NA +MJ036440 Mitotenamine C13H15BrClNS 330.97971 NA MeJP NA NA +C07763 Hydroflumethiazide C8H8F3N3O4S2 330.9908 NA KEGG NA NA +MJ036441 Hydroflumethiazide C8H8F3N3O4S2 330.990831 NA MeJP NA NA +C10979 Chlozolinate C13H11Cl2NO5 331.0014 NA KEGG NA NA +MJ036442 Butadiazamide C12H14ClN3O2S2 331.021595 NA MeJP NA NA +MJ036443 3,4-Dihydro-7-(1H-imidazol-1-yl)-6-nitro-2,3-dioxo-1(2H)-quinoxalineacetic acid C13H9N5O6 331.055283 NA MeJP NA NA +MJ036444 8-Bromo-2,3,4,5-tetrahydro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol C17H18BrNO 331.057176 NA MeJP NA NA +MJ036445 Piroxicam C15H13N3O4S 331.062676 NA MeJP NA NA +C01608 Piroxicam C15H13N3O4S 331.0627 NA KEGG NA NA +C01609 Protamine C15H13N3O4S 331.0627 NA KEGG NA NA +MJ036446 Tibric acid C14H18ClNO4S 331.064506 NA MeJP NA NA +MJ036447 dAMP C10H14N5O6P 331.068169 NA MeJP NA NA +MJ036448 Zidovudine; 5'-(Hydrogen phosphonate) C10H14N5O6P 331.068169 NA MeJP NA NA +MetaCyc02906 dAMP [2'-deoxyadenosine-5'-phosphate;deoxyadenosine-phosphate;2'-deoxyadenosine-5'-monophosphate;] C10H14N5O6P1 331.06817 653-63-4 metacyc NA NA +HMDB00905 Deoxyadenosine monophosphate C10H14N5O6P 331.068176 NA HMDB2010 NA NA +HMDB00905 Deoxyadenosine monophosphate C10H14N5O6P 331.06818 http://www.hmdb.ca/metabolites/HMDB00905 HMDB NA NA +HMDB00905 Deoxyadenosine monophosphate C10H14N5O6P 331.06818 HMDB00905 PFEM_hmdb_metabocards_official NA NA +C00360 dAMP C10H14N5O6P 331.0682 NA KEGG NA NA +MJ036449 Eudistalbin A C16H18BrN3 331.06841 NA MeJP NA NA +MJ036450 2-[(Nitroxy)methyl]phenyl 2-(acetyloxy)benzoate C16H13NO7 331.069201 NA MeJP NA NA +MJ036451 3,5-Dihydroxy-2-[[1-oxo-3-(3,4,5-trihydroxyphenyl)-2-propenyl]amino]benzoic acid, 5-Deoxy C16H13NO7 331.069201 NA MeJP NA NA +MJ036452 Cercosporamide C16H13NO7 331.069201 NA MeJP NA NA +MJ036453 8-Chlorodibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid; 2-Acetylhydrazide C16H14ClN3O3 331.072369 NA MeJP NA NA +MJ036454 Glypinamide C13H18ClN3O3S 331.075739 NA MeJP NA NA +MJ036455 1-(2-Chloro-9H-thioxanthen-9-ylidene)-3-(dimethylamino)-1-propanone C18H18ClNOS 331.079762 NA MeJP NA NA +MJ036456 Zotepine C18H18ClNOS 331.079762 NA MeJP NA NA +MJ036457 Genaconazole C13H15F2N3O3S 331.080218 NA MeJP NA NA +MJ036458 Disuprazole C16H17N3OS2 331.081303 NA MeJP NA NA +FL7ABHNS0001 Europinidin C17H15O7 331.08177 19077-87-3 knapsack NA NA +HMDB03201 Malvidin C17H15O7 331.08179 http://www.hmdb.ca/metabolites/HMDB03201 HMDB NA NA +HMDB03201 Malvidin C17H15O7 331.08179 HMDB03201 PFEM_hmdb_metabocards_official NA NA +C08716 Malvidin C17H15O7 331.0818 NA KEGG NA NA +MJ036459 Avicine C20H14NO4(+) 331.084457 NA MeJP NA NA +MJ036460 Lahorine C20H14NO4(+) 331.084457 NA MeJP NA NA +MJ036461 Sanguinarine C20H14NO4(+) 331.084457 NA MeJP NA NA +EUR228 sialic acid F2 F2 331.089675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR228 Acide sialique F2 NA 331.089675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR228 sialic acid F2 F2 331.089675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR228 Acide sialique F2 NA 331.089675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR228 sialic acid F2 F2 331.089675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR228 Acide sialique F2 NA 331.089675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR228 sialic acid F2 F2 331.089675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR228 sialic acid F2 F2 331.089675 standards wishlist analysés sur QTOF HMDB NA NA +EUR228 sialic acid F2 F2 331.089675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR228 Acide sialique F2 NA 331.089675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR228 sialic acid F2 F2 331.089675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR228 sialic acid F2 F2 331.089675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ036462 Tilozepine C17H18ClN3S 331.090995 NA MeJP NA NA +MJ036463 Phidolopin C14H13N5O5 331.091668 NA MeJP NA NA +MJ036464 Euxylophoricine C C19H13N3O3 331.095691 NA MeJP NA NA +MJ036465 2-[4-Methoxy-2-[2-(methylsulfinyl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine C16H17N3O3S 331.099062 NA MeJP NA NA +MJ036466 5-(Carboxymethylaminomethyl)uridine C12H17N3O8 331.101564 NA MeJP NA NA +CJneg0531 N4-acetylcytidine [(M-H)+(HCOOH)]- C12H16N3O8 331.102125 C18rt(min)=4.51 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0531 N4-acetylcytidine [(M-H)+(HCOOH)]- C12H16N3O8 331.102125 C18rt(min)=4.51 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ036467 1,2,3,5,6-Pentahydroxyacridone; 2,3,5,10-Tetra-Me C17H17NO6 331.105587 NA MeJP NA NA +MJ036468 1,2,3,5,6-Pentahydroxyacridone; 2,3,5,6-Tetra-Me ether C17H17NO6 331.105587 NA MeJP NA NA +MJ036469 1,2,3,5,6-Pentahydroxyacridone; 2,5,6,10-Tetra-Me C17H17NO6 331.105587 NA MeJP NA NA +MJ036470 1,3,4,5,6-Pentahydroxyacridone; N,O3,O4,O5-Tetra-Me C17H17NO6 331.105587 NA MeJP NA NA +MJ036471 Citbrasine C17H17NO6 331.105587 NA MeJP NA NA +MJ036472 Furo[2,3-b]quinoline-4,6,7-triol; OH-form, 6,7-Methylene ether, 4-O-(2?,3-dihydroxy-3-methylbutyl) C17H17NO6 331.105587 NA MeJP NA NA +MJ036473 Hippeastrine, N-Oxide C17H17NO6 331.105587 NA MeJP NA NA +MJ036474 Krigeine; 7-Ketone (lactone), O-de-Me C17H17NO6 331.105587 NA MeJP NA NA +MJ036475 Schumannificine; N-Me C17H17NO6 331.105587 NA MeJP NA NA +C10718 Maculosine C17H17NO6 331.1056 NA KEGG NA NA +MJ036476 Nizatidine C12H21N5O2S2 331.113666 NA MeJP NA NA +C07270 Nizatidine C12H21N5O2S2 331.1137 NA KEGG NA NA +MJ036477 Atpenin; Atpenin A5 C15H22ClNO5 331.11865 NA MeJP NA NA +C03996 5'-O-beta-D-Glucosylpyridoxine C14H21NO8 331.1267 NA KEGG NA NA +MetaCyc02907 5'-O-β-D-glucosylpyridoxine [] C14H21N1O8 331.126717 NA metacyc NA NA +8088 peptide derived from tuna cooking juice PHHADS 331.13195 MH2+ Inhouse_peptide NA peptide +MJ036478 Angustoline C20H17N3O2 331.132076 NA MeJP NA NA +MJ036479 Dehydroevodiamine; 10-Methoxy C20H17N3O2 331.132076 NA MeJP NA NA +C05349 Ciprofloxacin C17H18FN3O3 331.1332 NA KEGG NA NA +MJ036480 Ciprofloxacin C17H18FN3O3 331.133219 NA MeJP NA NA +MJ036481 Chlordimorine C19H22ClNO2 331.133906 NA MeJP NA NA +MJ036482 Difencloxazine C19H22ClNO2 331.133906 NA MeJP NA NA +3810 NA MQFHT 331.1357 MH2+ Inhouse_peptide NA peptide +2872 opioid lipotropin fr:14-17 NAGA 331.1379 antibacterial Inhouse_peptide NA peptide +PJ000336 SPE C13H21N3O7 331.138 NA PeJP NA NA +MJ036483 Flazalone C19H19F2NO2 331.138385 NA MeJP NA NA +MJ036484 3,4,7-Trihydroxy-8-prenyl-2-quinolinecarboxylic acid; NH-form, O3,N-Di-Me, Me ester C18H21NO5 331.141972 NA MeJP NA NA +MJ036485 6-Hydroxycrinamine, 6-Me ether C18H21NO5 331.141972 NA MeJP NA NA +MJ036486 Ambelline C18H21NO5 331.141972 NA MeJP NA NA +MJ036487 Amikhelline C18H21NO5 331.141972 NA MeJP NA NA +MJ036488 Bowdensine; Demethoxy, O1-de-Ac C18H21NO5 331.141972 NA MeJP NA NA +MJ036489 Brunsdonnine C18H21NO5 331.141972 NA MeJP NA NA +MJ036490 Cephalotaxine, 11-Hydroxy C18H21NO5 331.141972 NA MeJP NA NA +MJ036491 Cephalotaxine, 4-Hydroxy C18H21NO5 331.141972 NA MeJP NA NA +MJ036492 Corcovadine C18H21NO5 331.141972 NA MeJP NA NA +MJ036493 Crinamidine, Me ether C18H21NO5 331.141972 NA MeJP NA NA +MJ036494 Crinatine C18H21NO5 331.141972 NA MeJP NA NA +MJ036495 Crispanine C18H21NO5 331.141972 NA MeJP NA NA +MJ036496 Criwelline C18H21NO5 331.141972 NA MeJP NA NA +MJ036497 Delagoensine C18H21NO5 331.141972 NA MeJP NA NA +MJ036498 Drupacine C18H21NO5 331.141972 NA MeJP NA NA +MJ036499 Erysotinone, 11-Hydroxy C18H21NO5 331.141972 NA MeJP NA NA +MJ036500 Erythratine; 11-Hydroxy C18H21NO5 331.141972 NA MeJP NA NA +MJ036501 Falcatine; 2?-Methoxy C18H21NO5 331.141972 NA MeJP NA NA +MJ036502 Galanthine; O2,O9-Di-de-Me, 1-Ac C18H21NO5 331.141972 NA MeJP NA NA +MJ036503 Haemanthidine, O6-Me C18H21NO5 331.141972 NA MeJP NA NA +MJ036504 Homolycorine; 5?-Hydroxy C18H21NO5 331.141972 NA MeJP NA NA +MJ036505 Homolycorine; N-Oxide (?-) C18H21NO5 331.141972 NA MeJP NA NA +MJ036506 Homolycorine; O9-De-Me, 5?-methoxy C18H21NO5 331.141972 NA MeJP NA NA +MJ036507 Krigeine; 5-Deoxy C18H21NO5 331.141972 NA MeJP NA NA +MJ036508 Macronine, 3-Epimer, 1,2-dihydro C18H21NO5 331.141972 NA MeJP NA NA +MJ036509 Macronine, 3-Epimer, 4a-hydroxy, 8-deoxo C18H21NO5 331.141972 NA MeJP NA NA +MJ036510 Nerundine C18H21NO5 331.141972 NA MeJP NA NA +MJ036511 Pancratium Base 31 C18H21NO5 331.141972 NA MeJP NA NA +MJ036512 Powelline; 6?-Hydroxy, O3-Me C18H21NO5 331.141972 NA MeJP NA NA +MJ036513 Pretazettine C18H21NO5 331.141972 NA MeJP NA NA +MJ036514 Protokylol C18H21NO5 331.141972 NA MeJP NA NA +MJ036515 Pseudolycorine; 1-O-Ac C18H21NO5 331.141972 NA MeJP NA NA +MJ036516 Pseudolycorine; 2-O-Ac C18H21NO5 331.141972 NA MeJP NA NA +MJ036517 Ptelecortine C18H21NO5 331.141972 NA MeJP NA NA +MJ036518 Pteleprenine; ?3',4'-Isomer, 2'?-methoxy C18H21NO5 331.141972 NA MeJP NA NA +MJ036519 Sinococuline; 16,17-Didehydro C18H21NO5 331.141972 NA MeJP NA NA +MJ036520 Squamigerine C18H21NO5 331.141972 NA MeJP NA NA +MJ036521 Stemonamide C18H21NO5 331.141972 NA MeJP NA NA +MJ036522 Stephaboline; 7-Ketone C18H21NO5 331.141972 NA MeJP NA NA +MJ036523 Tazettine C18H21NO5 331.141972 NA MeJP NA NA +MJ036524 Unsevine C18H21NO5 331.141972 NA MeJP NA NA +MJ036525 Vallotidine C18H21NO5 331.141972 NA MeJP NA NA +C08517 Ambelline C18H21NO5 331.142 NA KEGG NA NA +C08536 Pretazettine C18H21NO5 331.142 NA KEGG NA NA +C12179 Tazettine C18H21NO5 331.142 NA KEGG NA NA +C12237 2-O-Acetylpseudolycorine C18H21NO5 331.142 NA KEGG NA NA +MJ036526 Quinazopyrine C19H17N5O 331.14331 NA MeJP NA NA +PJ000337 GQQ C12H21N5O6 331.1492 NA PeJP NA NA +MJ036527 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 2,3-dihydro-6-methoxy-2-oxo-1H-benzimidazole-1-carboxylate C17H21N3O4 331.153206 NA MeJP NA NA +MJ036528 Phenaz C17H21N3O4 331.153206 NA MeJP NA NA +MJ036529 Trimetamide C17H21N3O4 331.153206 NA MeJP NA NA +MJ036530 Alitame C14H25N3O4S 331.156576 NA MeJP NA NA +PJ000338 PCL C14H25N3O4S 331.1566 NA PeJP NA NA +C10727 Melochinone C22H21NO2 331.1572 NA KEGG NA NA +MJ036531 Melochinone C22H21NO2 331.157228 NA MeJP NA NA +MJ036532 Ficuseptine C22H22NO2(+) 331.157228 NA MeJP NA NA +7824 ACE inhibitor from micro algae IAE 331.163 antithrombotic Inhouse_peptide NA peptide +7750 ACE inhibitor (tynorphin) VVYPW 331.165 MH2+ Inhouse_peptide NA peptide +22 Hemoglobin VVYPW 331.166 MH2+ Inhouse_peptide NA peptide +MJ036533 Thiolstatin; Thiolstatin A C13H25N5O3S 331.16781 NA MeJP NA NA +MJ036534 Almazole C C21H21N3O 331.168462 NA MeJP NA NA +MJ036535 Clofenetamine C20H26ClNO 331.170292 NA MeJP NA NA +PJ000339 ALE C14H25N3O6 331.1744 NA PeJP NA NA +MJ036536 2-(?-Hydroxybenzyl)-3-tropanol, Di-Ac C19H25NO4 331.178358 NA MeJP NA NA +MJ036537 2-Hydroxyisotaxodine C19H25NO4 331.178358 NA MeJP NA NA +MJ036538 Athrocupressine; Me ether, 3,16-di-O-de-Me C19H25NO4 331.178358 NA MeJP NA NA +MJ036539 Belladine; 3''-Methoxy, N-de-Me C19H25NO4 331.178358 NA MeJP NA NA +MJ036540 Bucharaine C19H25NO4 331.178358 NA MeJP NA NA +MJ036541 Bucharidine C19H25NO4 331.178358 NA MeJP NA NA +MJ036542 Chingchengenamide A; 5'-Methoxy C19H25NO4 331.178358 NA MeJP NA NA +MJ036543 Erythratidine C19H25NO4 331.178358 NA MeJP NA NA +MJ036544 Galanthamine, 1,2-Dihydro, O-Ac C19H25NO4 331.178358 NA MeJP NA NA +MJ036545 Kesselridine; O12-Me C19H25NO4 331.178358 NA MeJP NA NA +MJ036546 Kesselridine; O6-Me C19H25NO4 331.178358 NA MeJP NA NA +MJ036547 Lycorenine; Et ether, O8-de-Me C19H25NO4 331.178358 NA MeJP NA NA +MJ036548 Lycorenine; Me ether C19H25NO4 331.178358 NA MeJP NA NA +MJ036549 Mesembrenol; Ac C19H25NO4 331.178358 NA MeJP NA NA +MJ036550 Misramine C19H25NO4 331.178358 NA MeJP NA NA +MJ036551 Pandamarilactone 31 C19H25NO4 331.178358 NA MeJP NA NA +MJ036552 Papyramine; Me ether C19H25NO4 331.178358 NA MeJP NA NA +MJ036553 Roehybrine C19H25NO4 331.178358 NA MeJP NA NA +MJ036554 Salmefamol C19H25NO4 331.178358 NA MeJP NA NA +MJ036555 Solanapyrone B; 1''-Aldehyde, 4'-demethoxy, 4'-[(2-hydroxyethyl)amino] C19H25NO4 331.178358 NA MeJP NA NA +MJ036556 Tetramethrin, ANSI C19H25NO4 331.178358 NA MeJP NA NA +C09424 Erythratidine C19H25NO4 331.1784 NA KEGG NA NA +C10649 Bucharaine C19H25NO4 331.1784 NA KEGG NA NA +C10652 Bucharidine C19H25NO4 331.1784 NA KEGG NA NA +C11771 Salmefamol C19H25NO4 331.1784 NA KEGG NA NA +C12241 O-Methyllycorenine C19H25NO4 331.1784 NA KEGG NA NA +MJ036557 Aladapcin C13H25N5O5 331.185568 NA MeJP NA NA +PJ000340 GQK C13H25N5O5 331.1856 NA PeJP NA NA +MJ036558 Azaloxan C18H25N3O3 331.189591 NA MeJP NA NA +C09220 Mahanimbine C23H25NO 331.1936 NA KEGG NA NA +MJ036559 Bicyclomahanimbicine C23H25NO 331.193614 NA MeJP NA NA +MJ036560 Bicyclomahanimbine C23H25NO 331.193614 NA MeJP NA NA +MJ036561 Currayangine C23H25NO 331.193614 NA MeJP NA NA +MJ036562 Currayanine C23H25NO 331.193614 NA MeJP NA NA +MJ036563 Decitropine C23H25NO 331.193614 NA MeJP NA NA +MJ036564 Eustifoline B C23H25NO 331.193614 NA MeJP NA NA +MJ036565 Isomurrayazoline C23H25NO 331.193614 NA MeJP NA NA +MJ036566 Mahanimbicine C23H25NO 331.193614 NA MeJP NA NA +MJ036567 Mahanimbine C23H25NO 331.193614 NA MeJP NA NA +MJ036568 Murrayamine F; Demethoxy C23H25NO 331.193614 NA MeJP NA NA +MJ036569 Prizidilol C17H25N5O2 331.200825 NA MeJP NA NA +MJ036570 Centhaquine C22H25N3 331.204847 NA MeJP NA NA +PJ000341 SLL C15H29N3O5 331.2107 NA PeJP NA NA +MJ036571 Marimastat C15H29N3O5 331.210721 NA MeJP NA NA +C09888 Megastachine C20H29NO3 331.2147 NA KEGG NA NA +MJ036572 Echinophyllin C C20H29NO3 331.214743 NA MeJP NA NA +MJ036573 Echinophyllin F C20H29NO3 331.214743 NA MeJP NA NA +MJ036574 Ipragratine C20H29NO3 331.214743 NA MeJP NA NA +MJ036575 Lucidinine; Me ether, 1,2-dihydro C20H29NO3 331.214743 NA MeJP NA NA +MJ036576 Megastachine C20H29NO3 331.214743 NA MeJP NA NA +MJ036577 Oxyclipine C20H29NO3 331.214743 NA MeJP NA NA +PJ000342 GKK C14H29N5O4 331.222 NA PeJP NA NA +CJpos0760 17-Hydroxyprogesterone [(M+H)]+ (13C) C2013CH31O3 331.222275 C18rt(min)=9.81 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0761 Deoxycorticosterone [(M+H)]+ (13C) C2013CH31O3 331.222275 C18rt(min)=9.61 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0760 17-Hydroxyprogesterone [(M+H)]+ (13C) C2013CH31O3 331.222275 C18rt(min)=9.81 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0761 Deoxycorticosterone [(M+H)]+ (13C) C2013CH31O3 331.222275 C18rt(min)=9.61 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ036578 Amindocate C19H29N3O2 331.225977 NA MeJP NA NA +MJ036579 Batebulast C19H29N3O2 331.225977 NA MeJP NA NA +MJ036580 10-Isothiocyanato-4,15-bifloradiene C21H33NS 331.23337 NA MeJP NA NA +MJ036581 3-Amino-12-hydroxypregnan-20-one, 15,16-Didehydro C21H33NO2 331.251129 NA MeJP NA NA +MJ036582 3-Amino-15-hydroxypregn-5-en-20-one C21H33NO2 331.251129 NA MeJP NA NA +MJ036583 3-Aminopregn-5-en-20-one; 3?-form, 15?-Hydroxy C21H33NO2 331.251129 NA MeJP NA NA +MJ036584 3-Aminopregna-5,17(20)-diene-2,16-diol C21H33NO2 331.251129 NA MeJP NA NA +MJ036585 Elisabethamine C21H33NO2 331.251129 NA MeJP NA NA +MJ036586 Himbacine; N-De-Me C21H33NO2 331.251129 NA MeJP NA NA +MJ036587 N-[2-(4-Hydroxyphenyl)ethyl]-3-methyl-2-dodecenamide C21H33NO2 331.251129 NA MeJP NA NA +MJ036588 Dendrobine, N-(3-Methyl-2-butenyl) C21H34NO2(+) 331.251129 NA MeJP NA NA +EUR460 Dehydrotestosterone glucuronide F5 F5 331.252875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR460 Dehydrotestosterone glucuronide F5 NA 331.252875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR460 Dehydrotestosterone glucuronide F5 F5 331.252875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR460 Dehydrotestosterone glucuronide F5 NA 331.252875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR460 Dehydrotestosterone glucuronide F5 F5 331.252875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR460 Dehydrotestosterone glucuronide F5 NA 331.252875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR460 Dehydrotestosterone glucuronide F5 F5 331.252875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR460 Déhydrotestosterone glucuronide F5 F5 331.252875 standards wishlist analysés sur QTOF HMDB NA NA +EUR460 Dehydrotestosterone glucuronide F5 F5 331.252875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR460 Dehydrotestosterone glucuronide F5 NA 331.252875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR460 Dehydrotestosterone glucuronide F5 F5 331.252875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR460 Dehydrotestosterone glucuronide F5 F5 331.252875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ036589 20-Aminopregn-5-en-3-ol, N-Me C22H37NO 331.287514 NA MeJP NA NA +MJ036590 20-Aminopregnan-3-one, N-Me C22H37NO 331.287514 NA MeJP NA NA +MJ036591 3-Aminopregn-5-en-20-ol, N-Me C22H37NO 331.287514 NA MeJP NA NA +MJ036592 3-Aminopregnan-20-one, N-Me C22H37NO 331.287514 NA MeJP NA NA +MJ036593 Irnigaine; N-Me C22H37NO 331.287514 NA MeJP NA NA +MJ036594 N,N'-Bis(3,7-dimethyl-2,6-octadienyl)guanidine C21H37N3 331.298748 NA MeJP NA NA +MJ036595 N,N-Bis(3,7-dimethyl-2,6-octadienyl)guanidine C21H37N3 331.298748 NA MeJP NA NA +MJ036596 1-Pentadecylamine; N-Benzyl, N-Me C23H41N 331.3239 NA MeJP NA NA +3191 cuprum binding peptide GGHTRH 331.653 MH2+ Inhouse_peptide NA peptide +MJ036597 7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one C10H12BrCl3O 331.91371 NA MeJP NA NA +C15234 Lead nitrate 2NO3 331.9523 NA KEGG NA NA +MJ036598 4,4'-Diisothiocyanatodiphenyl sulfide; S,S-Dioxide C14H8N2O2S3 331.974789 NA MeJP NA NA +MJ036599 2,2',6,6'-Tetrachloro-3,3'-dihydroxy-5,5'-dimethyldiphenyl ether; 6-Dechloro C14H11Cl3O3 331.977377 NA MeJP NA NA +MJ036600 Brivudine C11H13BrN2O5 332.000784 NA MeJP NA NA +MJ036601 Fallacinal; 6-Chloro C16H9ClO6 332.008765 NA MeJP NA NA +MJ036602 Diaporthin, 3',3'-Dichloro, 8-Me ether C14H14Cl2O5 332.021828 NA MeJP NA NA +MJ036603 Aplysinopsin; 6-Bromo C14H13BrN4O 332.027273 NA MeJP NA NA +MetaCyc02908 reduced pyrroloquinoline-quinone [PQQH2;] C14H8N2O8 332.028065 NA metacyc NA NA +C01359 PQQH2 C14H8N2O8 332.0281 NA KEGG NA NA +C01362 Ricin C14H8N2O8 332.0281 NA KEGG NA NA +MJ036604 Oxo[4-[[2-[(1H-pyrrol-2-ylmethyl)amino]ethyl]imino]-2-pentanonato(3-)-N,N',N'',O]technetium C12H16N3O2Tc 332.031467 NA MeJP NA NA +MJ036605 Chloro(diethylenetriamine)platinum(1+) C4H13ClN3Pt(+) 332.036749 NA MeJP NA NA +MJ036606 Chlorotetaine; Bromo analogue C12H17BrN2O4 332.037169 NA MeJP NA NA +MJ036607 2-Chloro-1,3,8-trihydroxy-6-methylanthraquinone; 1,3-Di-Me ether C17H13ClO5 332.045151 NA MeJP NA NA +MJ036608 2-Chloro-1,3,8-trihydroxy-6-methylanthraquinone; 3,8-Di-Me ether C17H13ClO5 332.045151 NA MeJP NA NA +HMDB06555 dIMP C10H13N4O7P 332.052185 NA HMDB2010 NA NA +MetaCyc02909 dIMP [] C10H13N4O7P1 332.052185 NA metacyc NA NA +HMDB06555 dIMP C10H13N4O7P 332.05219 http://www.hmdb.ca/metabolites/HMDB06555 HMDB NA NA +HMDB06555 dIMP C10H13N4O7P 332.05219 HMDB06555 PFEM_hmdb_metabocards_official NA NA +C05325 Purine mononucleotide C10H13N4O7P 332.0522 NA KEGG NA NA +C05326 Uridylyl-[protein-PII] C19H21N4O11PR2 332.0522 NA KEGG NA NA +C06196 2'-Deoxyinosine 5'-phosphate C10H13N4O7P 332.0522 NA KEGG NA NA +C04527 3,3',4',5,7-Pentahydroxy-8-methoxyflavone C16H12O8 332.0532 NA KEGG NA NA +C10118 Patuletin C16H12O8 332.0532 NA KEGG NA NA +C12633 Laricitrin C16H12O8 332.0532 NA KEGG NA NA +FL1BUNNS0001 Crombenin C16H12O8 332.05321 37486-29-6 knapsack NA NA +FL3FFGNS0001 3',4',5'-Trihydroxywogonin C16H12O8 332.05321 641-87-2 knapsack NA NA +FL3FGCNS0002 5,7,8,3',4'-Pentahydroxy-6-methoxyflavone C16H12O8 332.05321 90851-12-0 knapsack NA NA +FL5FAGNM0001 Pinomyricetin C16H12O8 332.05321 552-50-1 knapsack NA NA +FL5FAHNS0001 Laricitrin C16H12O8 332.05321 53472-37-0 knapsack NA NA +FL5FAJNS0001 Mearnsetin C16H12O8 332.05321 16805-10-0 knapsack NA NA +FL5FBGNS0001 Myricetin 5-methyl ether C16H12O8 332.05321 19077-84-0 knapsack NA NA +FL5FCGNS0001 Europetin C16H12O8 332.05321 16280-27-6 knapsack NA NA +FL5FDGNS0001 Annulatin C16H12O8 332.05321 1486-67-5 knapsack NA NA +FL5FECNS0003 Quercetagetin 3-methyl ether C16H12O8 332.05321 64190-88-1 knapsack NA NA +FL5FECNS0004 Allopatuletin C16H12O8 332.05321 74517-74-1 knapsack NA NA +FL5FECNS0005 Patuletin;3,5,7,3',4'-Pentahydroxy-6-methoxyflavone;6-Methoxyquercetin;2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4H-1-benzopyran-4-one C16H12O8 332.05321 519-96-0 knapsack NA NA +FL5FECNS0006 Quercetagetin 7-methyl ether C16H12O8 332.05321 4382-57-4 knapsack NA NA +FL5FECNS0007 Quercetagetin 3'-methyl ether C16H12O8 332.05321 57093-48-8 knapsack NA NA +FL5FECNS0008 Quercetagetin 4'-methyl ether C16H12O8 332.05321 161585-86-0 knapsack NA NA +FL5FFCNS0002 Gossypetin 3-methyl ether C16H12O8 332.05321 86749-51-1 knapsack NA NA +FL5FFCNS0003 Ranupetin C16H12O8 332.05321 18799-01-4 knapsack NA NA +FL5FFCNS0004 Corniculatusin C16H12O8 332.05321 27500-34-1 knapsack NA NA +FL5FFCNS0005 Haplogenin C16H12O8 332.05321 75055-88-8 knapsack NA NA +MJ036609 1,2,4,5,6,7-Hexahydroxy-3-methylanthraquinone; 1-Me ether C16H12O8 332.053217 NA MeJP NA NA +MJ036610 1,2,4,5,6,8-Hexahydroxy-3-methylanthraquinone; 6-Me ether C16H12O8 332.053217 NA MeJP NA NA +MJ036611 3',4',5,5',7,8-Hexahydroxyflavone; 8-Me ether C16H12O8 332.053217 NA MeJP NA NA +MJ036612 3',4',5,5',7-Pentahydroxy-3-methoxyflavone C16H12O8 332.053217 NA MeJP NA NA +MJ036613 3',4',5,6,7,8-Hexahydroxyflavone; 6-Me ether C16H12O8 332.053217 NA MeJP NA NA +MJ036614 3',4',5,6,7-Pentahydroxy-3-methoxyflavone C16H12O8 332.053217 NA MeJP NA NA +MJ036615 3,3',4',5',7-Pentahydroxy-5-methoxyflavone C16H12O8 332.053217 NA MeJP NA NA +MJ036616 3,3',4',5,5',7-Hexahydroxy-6-methylflavone C16H12O8 332.053217 NA MeJP NA NA +MJ036617 3,3',4',5,5',7-Hexahydroxyflavone; 7-Me ether C16H12O8 332.053217 NA MeJP NA NA +MJ036618 3,3',4',5,6,7-Hexahydroxyflavone; 4'-Me ether C16H12O8 332.053217 NA MeJP NA NA +MJ036619 3,3',4',5,6,7-Hexahydroxyflavone; 5-Me ether C16H12O8 332.053217 NA MeJP NA NA +MJ036620 3,3',4',5,6,7-Hexahydroxyflavone; 7-Me ether C16H12O8 332.053217 NA MeJP NA NA +MJ036621 3,3',4',5,7,8-Hexahydroxyflavone; 3-Me ether C16H12O8 332.053217 NA MeJP NA NA +MJ036622 3,3',4',5,7-Pentahydroxy-6-methoxyflavone C16H12O8 332.053217 NA MeJP NA NA +MJ036623 3,3',4',5,7-Pentahydroxy-8-methoxyflavone C16H12O8 332.053217 NA MeJP NA NA +MJ036624 3,3',5,5',7-Pentahydroxy-4'-methoxyflavone C16H12O8 332.053217 NA MeJP NA NA +MJ036625 3,4',5,5',7-Pentahydroxy-3'-methoxyflavone C16H12O8 332.053217 NA MeJP NA NA +MJ036626 3,4',5,6,7-Pentahydroxy-3'-methoxyflavone C16H12O8 332.053217 NA MeJP NA NA +MJ036627 3,4',5,7,8-Pentahydroxy-3'-methoxyflavone C16H12O8 332.053217 NA MeJP NA NA +MJ036628 3,4,6,8-Tetrahydroxyxanthone-1-carboxylic acid; 4,6-Di-Me ether C16H12O8 332.053217 NA MeJP NA NA +MJ036629 Crombenin C16H12O8 332.053217 NA MeJP NA NA +MJ036630 Vaccaxanthone C16H12O8 332.053217 NA MeJP NA NA +MetaCyc02910 3,3',4',5,7-pentahydroxy-8-methoxyflavone [] C16H12O8 332.053217 NA metacyc NA NA +MJ036631 10-Bromo-2-chloro-2,7(14)-chamigradien-9-ol C15H22BrClO 332.054255 NA MeJP NA NA +MJ036632 2-Bromo-3-chloro-5,10-epoxy-7(14)-chamigrene C15H22BrClO 332.054255 NA MeJP NA NA +MJ036633 2-Bromo-3-chloro-7(14),8-chamigradien-5-ol C15H22BrClO 332.054255 NA MeJP NA NA +MJ036634 2-Bromo-3-chloro-7-chamigren-9-one C15H22BrClO 332.054255 NA MeJP NA NA +MJ036635 3-Bromo-2-chloro-7-chamigren-9-one C15H22BrClO 332.054255 NA MeJP NA NA +MJ036636 Isorhodolaureol C15H22BrClO 332.054255 NA MeJP NA NA +MJ036637 Rhodolauradiol; 10-Deoxy, 1,10-didehydro C15H22BrClO 332.054255 NA MeJP NA NA +MJ036638 4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol; 2-Chloro, 1-(3-methylbutanoyl) C18H17ClO2S 332.063778 NA MeJP NA NA +MJ036639 8-Methoxy-3-methylbenz[a]anthracene-1,4,7,12-tetrone C20H12O5 332.068473 NA MeJP NA NA +MJ036640 Fluorescein C20H12O5 332.068473 NA MeJP NA NA +MJ036641 Halenaquinol; 12,15-Quinone C20H12O5 332.068473 NA MeJP NA NA +MJ036642 Hypoxylone C20H12O5 332.068473 NA MeJP NA NA +MJ036643 Palmarumycin CP1; 2?,3?-Epoxide C20H12O5 332.068473 NA MeJP NA NA +C10355 Hypoxylone C20H12O5 332.0685 NA KEGG NA NA +C01158 1-O-Galloyl-beta-D-glucose C13H16O10 332.0743 NA KEGG NA NA +MJ036644 2-C-Hydroxymethylribose; D-Furanose-form, 5-O-(3,4,5-Trihydroxybenzoyl) C13H16O10 332.074346 NA MeJP NA NA +MJ036645 2-Galloylglucose C13H16O10 332.074346 NA MeJP NA NA +MJ036646 3,4,5-Trihydroxybenzoic acid; 3-O-?-D-Glucopyranoside C13H16O10 332.074346 NA MeJP NA NA +MJ036647 3,4,5-Trihydroxybenzoic acid; 4-O-?-D-Glucopyranoside C13H16O10 332.074346 NA MeJP NA NA +MJ036648 3,4,5-Trihydroxybenzoic acid; ?-D-Glucopyranosyl ester C13H16O10 332.074346 NA MeJP NA NA +MJ036649 6-Galloylglucose C13H16O10 332.074346 NA MeJP NA NA +MJ036650 Fructose, 1-O-(3,4,5-Trihydroxybenzoyl) C13H16O10 332.074346 NA MeJP NA NA +MJ036651 Fructose, 6-O-(3,4,5-Trihydroxybenzoyl) C13H16O10 332.074346 NA MeJP NA NA +MetaCyc02911 1-O-galloyl-β-D-glucose [1-galloyl-β-glucose;β-glucogallin;] C13H16O10 332.074347 554-37-0 metacyc NA NA +MJ036652 4,4'-Diaminodiphenyl sulfone; N,N'-Di-Ac C16H16N2O4S 332.083077 NA MeJP NA NA +MJ036653 5-Hydroxyuridine; 5-O-(Methoxycarbonylmethyl) C12H16N2O9 332.08558 NA MeJP NA NA +MJ036654 Uridine-5-acetic acid; 1''S-Hydroxy, Me ester C12H16N2O9 332.08558 NA MeJP NA NA +C00495 Sulochrin C17H16O7 332.0896 NA KEGG NA NA +C00496 Ubiquitin C17H16O7 332.0896 NA KEGG NA NA +FL2FCHNS0001 Dihydrotricetin 7,3'-dimethyl ether C17H16O7 332.0896 92585-20-1 knapsack NA NA +FL2FE8NS0006 Dioclein;5,2',5'-Trihydroxy-6,7-dimethoxyflavanone C17H16O7 332.0896 161748-44-3 knapsack NA NA +FL2FF8NS0004 5,2',5'-Trihydroxy-7,8-dimethoxyflavanone C17H16O7 332.0896 111199-93-0 knapsack NA NA +FL2FFCNS0001 5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone C17H16O7 332.0896 100009-93-6 knapsack NA NA +FL4DA8NS0004 3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone C17H16O7 332.0896 74175-80-7 knapsack NA NA +FL4DA8NS0007 3,5,3'-Trihydroxy-7,2'-dimethoxyflavanone C17H16O7 332.0896 188440-69-9 knapsack NA NA +FL4DCDNS0001 Taxifolin 7,3'-dimethyl ether C17H16O7 332.0896 37971-67-8 knapsack NA NA +FL4DCENS0001 Taxifolin 7,4'-dimethyl ether; (2R,3R)-3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone C17H16O7 332.0896 79995-67-8 knapsack NA NA +FL4DCENS0002 (2R,3S)-3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone C17H16O7 332.0896 307499-82-7 knapsack NA NA +FL4DEANS0003 3,5,4'-Trihydroxy-6,7-dimethoxyflavanone C17H16O7 332.0896 75457-73-1 knapsack NA NA +FL4DEANS0004 3,5,7-Trihydroxy-6,4'-dimethoxyflavanone C17H16O7 332.0896 143114-81-2 knapsack NA NA +FL4DF8NS0001 3,5,2'-Trihydroxy-7,8-dimethoxyflavanone C17H16O7 332.0896 110065-75-3 knapsack NA NA +FL4DFANS0002 3,5,7-Trihydroxy-8,4'-dimethoxyflavanone C17H16O7 332.0896 111514-42-2 knapsack NA NA +FL63AANM0001 3'-Deoxydryopteric acid C17H16O7 332.0896 156521-53-8 knapsack NA NA +FLIBALNS0006 Parvisoflavanone C17H16O7 332.0896 49776-79-6 knapsack NA NA +MJ036655 1,2,3,4,5-Pentahydroxyxanthone; 2,3,4,5-Tetra-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036656 1,2,3,4,7-Pentahydroxyxanthone; 1,2,3,4-Tetra-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036657 1,2,3,4,7-Pentahydroxyxanthone; 1,3,4,7-Tetra-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036658 1,2,3,4,7-Pentahydroxyxanthone; 2,3,4,7-Tetra-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036659 1,2,3,5,7-Pentahydroxyxanthone; 2,3,5,7-Tetra-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036660 1,2,3,6,7-Pentahydroxyxanthone; 1,2,3,7-Tetra-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036661 1,2,3,7,8-Pentahydroxyxanthone; 1,2,3,8-Tetra-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036662 1,2,4,6,8-Pentahydroxyxanthone; 1,2,4,6-Tetra-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036663 1,2,5,6,8-Pentahydroxyxanthone; 1,2,5,6-Tetra-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036664 1,3,5,6,7-Pentahydroxyxanthone; 1,3,5,7-Tetra-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036665 1,3,5,6,7-Pentahydroxyxanthone; 3,5,6,7-Tetra-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036666 2',3',4',5,7-Pentahydroxyisoflavanone; 2',3'-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036667 2',3',4',5,7-Pentahydroxyisoflavanone; 2',4'-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036668 2',3,3',4,4',6'-Hexahydroxychalcone; 3',4-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036669 2',3,3',5,7-Pentahydroxyflavanone, 2',7-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036670 2',3,5,5',7-Pentahydroxyflavanone, 5',7-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036671 2',3,5,7,8-Pentahydroxyflavanone; 7,8-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036672 2',4',5,5',7-Pentahydroxy-6-methylisoflavanone, 5'-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036673 2',4,6,6'-Tetrahydroxy-4'-methylbenzophenone-2-carboxylic acid; 4-Me ether, Me ester C17H16O7 332.089602 NA MeJP NA NA +MJ036674 2',4,6,6'-Tetrahydroxy-4'-methylbenzophenone-2-carboxylic acid; 6-Me ether, Me ester C17H16O7 332.089602 NA MeJP NA NA +MJ036675 2',5,5',6,7-Pentahydroxyflavanone, 6,7-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036676 2',5,5',7,8-Pentahydroxyflavanone, 7,8-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036677 3',4',5,5',7-Pentahydroxyflavanone, 3',5'-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036678 3',4',5,5',7-Pentahydroxyflavanone, 3',7-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036679 3',4',5,6,7-Pentahydroxyflavanone, 3',6-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036680 3',4',5,7,8-Pentahydroxyflavanone, 3',8-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036681 3,3',4',5,7-Pentahydroxyflavan-4-acetic acid, 3'-Deoxy C17H16O7 332.089602 NA MeJP NA NA +MJ036682 3,3',4',5,7-Pentahydroxyflavanone, 3',7-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036683 3,3',4',5,7-Pentahydroxyflavanone, 4',7-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036684 3,4',5,6,7-Pentahydroxyflavanone, 3,6-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036685 3,4',5,6,7-Pentahydroxyflavanone; 4',6-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036686 3,4',5,7,8-Pentahydroxyflavanone, 4',8-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036687 3-(3,4-Dihydroxybenzyl)-5,6,7-trihydroxy-4-chromanone; 6-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036688 3-(3,4-Dihydroxybenzyl)-5,7,8-trihydroxy-4-chromanone; 7-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036689 5,7,8,10-Tetrahydroxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-6,9-dione, 5,7-Di-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036690 Alectorialin C17H16O7 332.089602 NA MeJP NA NA +MJ036691 Athrotaxin; 3-Hydroxy C17H16O7 332.089602 NA MeJP NA NA +MJ036692 Dihydromicromelin A; Ac C17H16O7 332.089602 NA MeJP NA NA +MJ036693 Erdin, Bis(dechloro), 2',3'-dihydro, Me ester C17H16O7 332.089602 NA MeJP NA NA +MJ036694 Erythrostominone; 4-Deoxy C17H16O7 332.089602 NA MeJP NA NA +MJ036695 Fomentariol C17H16O7 332.089602 NA MeJP NA NA +MJ036696 Graphislactone D C17H16O7 332.089602 NA MeJP NA NA +MJ036697 Isonorobtusatic acid C17H16O7 332.089602 NA MeJP NA NA +MJ036698 Kushecarpin C C17H16O7 332.089602 NA MeJP NA NA +MJ036699 Lecanoric acid; 4-Me ether C17H16O7 332.089602 NA MeJP NA NA +MJ036700 Metasequirin B C17H16O7 332.089602 NA MeJP NA NA +MJ036701 Nanaomycin E; Me ester C17H16O7 332.089602 NA MeJP NA NA +MJ036702 Obtusatic acid; O-De-Me C17H16O7 332.089602 NA MeJP NA NA +MJ036703 Phomosine C C17H16O7 332.089602 NA MeJP NA NA +MJ036704 Rapicone C17H16O7 332.089602 NA MeJP NA NA +MJ036705 Semiviriditoxic acid; Me ester C17H16O7 332.089602 NA MeJP NA NA +MJ036706 Ventiloquinone M; Mono-Me ether C17H16O7 332.089602 NA MeJP NA NA +MetaCyc02912 (+)-bisdechlorogeodin [] C17H16O7 332.089603 NA metacyc NA NA +MetaCyc02913 sulochrin [] C17H16O7 332.089603 519-57-3 metacyc NA NA +MetaCyc02914 (-)-bisdechlorogeodin [] C17H16O7 332.089603 NA metacyc NA NA +MJ036707 4-[5'-Methyl-[2,2'-bithiophen]-5-yl]-3-butyne-1,2-diol; 2-Deoxy, 1-(3-methylbutanoyl) C18H20O2S2 332.090471 NA MeJP NA NA +MJ036708 Sanguinarine C20H14NO4 332.092282 NA MeJP NA NA +C06162 Sanguinarine C20H14NO4 332.0923 NA KEGG NA NA +C11022 Butamifos C13H21N2O4PS 332.096 NA KEGG NA NA +C11023 O-Ethyl-O-(5-methyl-4-nitrophenyl)(1- C13H21N2O4PS 332.096 NA KEGG NA NA +C00896 Tos-Lys-CH2Cl C14H21ClN2O3S 332.0961 NA KEGG NA NA +CJpos0762 9-Methylxanthine [(2M+H)]+ C12H13N8O4 332.097575 C18rt(min)=4.3 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0762 9-Methylxanthine [(2M+H)]+ C12H13N8O4 332.097575 C18rt(min)=4.3 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJneg0532 9-Methylxanthine [(2M-H)]- C12H11N8O4 332.098725 C18rt(min)=4.3 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0532 9-Methylxanthine [(2M-H)]- C12H11N8O4 332.098725 C18rt(min)=4.3 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ036709 2-Hydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one; 3-Methoxy, 2-Me ether C21H16O4 332.104859 NA MeJP NA NA +MJ036710 8-Ethyl-1,11-dihydroxy-5,12-naphthacenedione; 1-Me ether C21H16O4 332.104859 NA MeJP NA NA +MJ036711 Xiphidone C21H16O4 332.104859 NA MeJP NA NA +C02087 Tos-Arg-CH2Cl C13H21ClN4O2S 332.1074 NA KEGG NA NA +MJ036712 1,2,3,5-Benzenetetrol; 1,2-Di-Me ether, 5-O-?-D-glucopyranoside C14H20O9 332.110732 NA MeJP NA NA +MJ036713 1,2,3,5-Benzenetetrol; 1,3-Di-Me ether, 2-O-?-D-glucopyranoside C14H20O9 332.110732 NA MeJP NA NA +MJ036714 1,2,3,5-Benzenetetrol; 1,3-Di-Me ether, 5-O-?-glucopyranoside C14H20O9 332.110732 NA MeJP NA NA +MJ036715 Catalpol; 1-O-Deglucosyl, 1-O-?-L-arabinofuranoside C14H20O9 332.110732 NA MeJP NA NA +MJ036716 Isounedoside C14H20O9 332.110732 NA MeJP NA NA +MJ036717 Unedoside C14H20O9 332.110732 NA MeJP NA NA +MJ036718 Ergothioneine; S-(2-Amino-2-carboxyethyl), S-oxide C12H20N4O5S 332.11544 NA MeJP NA NA +PJ000343 PCN C12H20N4O5S 332.1155 NA PeJP NA NA +MJ036719 Camptothecin, 20-Deoxy C20H16N2O3 332.116092 NA MeJP NA NA +MJ036720 Antibiotic Sch 56396 C17H20N2O3S 332.119463 NA MeJP NA NA +MJ036721 Tosifen C17H20N2O3S 332.119463 NA MeJP NA NA +MJ036722 Mytilin A C13H20N2O8 332.121965 NA MeJP NA NA +FL1DBFNS0001 2',4'-Dihydroxy-3,4,6'-trimethoxydihydrochalcone C18H20O6 332.12598 130893-62-8 knapsack NA NA +FL1DCFNS0001 2',6'-Dihydroxy-3,4,4'-trimethoxydihydrochalcone C18H20O6 332.12598 157528-83-1 knapsack NA NA +FL1DG9NS0001 Dihydropedicin C18H20O6 332.12598 169234-89-3 knapsack NA NA +FL1DG9NS0003 3',5'-Dihydroxy-2',4',6'-trimethoxydihydrochalcone C18H20O6 332.12598 - knapsack NA NA +FL63DDNS0001 Catechin 5,7,3'-trimethyl ether C18H20O6 332.12598 105330-62-9 knapsack NA NA +FL63DDNS0002 Epicatechin 5,7,3'-trimethyl ether C18H20O6 332.12598 97914-19-7 knapsack NA NA +FL63DENS0001 Catechin 5,7,4'-trimethyl ether C18H20O6 332.12598 105330-59-4 knapsack NA NA +FL6D1CNS0006 Fisetinidol-4beta-ol 7,3',4'-trimethyl ether C18H20O6 332.12598 1166-05-8 knapsack NA NA +FLIC1LNS0014 Lonchocarpan;7,4'-Dihydroxy-2',3',6'-trimethoxyisoflavan C18H20O6 332.12598 23531-99-9 knapsack NA NA +FLIC3LNS0002 Duartin;7,3'-Dihydroxy-8,2',4'-trimethoxyisoflavan C18H20O6 332.12598 52305-04-1 knapsack NA NA +FLIC3LNS0003 Isoduartin;(+-)-7,2'-Dihydroxy-8,3',4'-trimethoxyisoflavan C18H20O6 332.12598 101153-40-6 knapsack NA NA +MJ036723 1-(2,3,4,5,6-Pentahydroxyphenyl)-3-phenyl-1-propanone; 2',4',5'-Tri-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036724 1-(2,3,4,5,6-Pentahydroxyphenyl)-3-phenyl-1-propanone; 2',4',6'-Tri-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036725 1-(2,3,4-Trihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, 3',4,4',5'-Tetra-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036726 1-(2,6-Dimethoxy-3,4-methylenedioxyphenyl)-3-phenyl-1,3-propanediol C18H20O6 332.125988 NA MeJP NA NA +MJ036727 2',3',4',5',7-Pentahydroxyisoflavan, 2',3',4'-Tri-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036728 2',3',4',5',7-Pentahydroxyisoflavan, 2',4',7-Tri-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036729 2',3',4',5',7-Pentahydroxyisoflavan, 3',4',7-Tri-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036730 2',3',4',6',7-Pentahydroxyisoflavan, 2',3',6'-Tri-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036731 2',3',4',7,8-Pentahydroxyisoflavan, 2',4',8-Tri-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036732 2',3',4',7,8-Pentahydroxyisoflavan, 3',4',8-Tri-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036733 2',3,4,4',6'-Pentahydroxydihydrochalcone; 2',3,4-Tri-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036734 2',3,4,4',6'-Pentahydroxydihydrochalcone; 3,4,4'-Tri-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036735 2,3,5,6-Tetrahydroxybenzoic acid; Tetra-Me ether, benzyl ester C18H20O6 332.125988 NA MeJP NA NA +MJ036736 2,3-Dihydro-5,6,8-trihydroxy-2,3-dimethyl-4H-naphtho[2,3-b]pyran-4-one, 10-Methoxy, 6,8-di-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036737 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]decane-3,4,8-triol; 8-Deoxy, 3,4-di-Ac C18H20O6 332.125988 NA MeJP NA NA +MJ036738 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]decane-3,4-diol, Di-Ac C18H20O6 332.125988 NA MeJP NA NA +MJ036739 2-Hydroxybenzyl alcohol; 2-Me ether, ?-O-(2,3,6-trimethoxybenzoyl) C18H20O6 332.125988 NA MeJP NA NA +MJ036740 3',4',5',7,8-Pentahydroxyflavan, 3',4',7-Tri-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036741 3,3',4',5,7-Pentahydroxyflavan, 3',5,7-Tri-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036742 3,3',4',5,7-Pentahydroxyflavan, 4',5,7-Tri-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036743 3,3',4,4',7-Pentahydroxyflavan, 3',4',7-Tri-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036744 3-Hydroxybenzyl alcohol; 3-Me ether, ?-O-(2,3,6-trimethoxybenzoyl) C18H20O6 332.125988 NA MeJP NA NA +MJ036745 4-[2-(3,4-Dihydroxyphenyl)-2-hydroxy-1-methylethoxy]-3-hydroxybenzaldehyde, 3,3'-Di-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036746 5,6,7,8-Tetrahydro-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)chromone, 8-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036747 6-Methoxyisomurralonginol; O-Ac C18H20O6 332.125988 NA MeJP NA NA +MJ036748 Aviprin, 3'-Et ether C18H20O6 332.125988 NA MeJP NA NA +MJ036749 Byssochlamic acid C18H20O6 332.125988 NA MeJP NA NA +MJ036750 Curvularin, 10,11-Didehydro(E-), 7-Ac C18H20O6 332.125988 NA MeJP NA NA +MJ036751 Dermochrysonol C18H20O6 332.125988 NA MeJP NA NA +MJ036752 Germitorosone; 9-Me ether C18H20O6 332.125988 NA MeJP NA NA +MJ036753 Glaucanic acid C18H20O6 332.125988 NA MeJP NA NA +MJ036754 Heraclenol, 3'-Et ether C18H20O6 332.125988 NA MeJP NA NA +MJ036755 Heveadride C18H20O6 332.125988 NA MeJP NA NA +MJ036756 Khellactone, 9-O-(2-Methylpropanoyl) C18H20O6 332.125988 NA MeJP NA NA +MJ036757 Machaerol A C18H20O6 332.125988 NA MeJP NA NA +MJ036758 Mollugin; 3,4-Dihydro, 3-methoxy, 4-hydroxy C18H20O6 332.125988 NA MeJP NA NA +MJ036759 Nagilactone D C18H20O6 332.125988 NA MeJP NA NA +MJ036760 Nordinone; 8,9-Didehydro, 4R,5R-epoxide C18H20O6 332.125988 NA MeJP NA NA +MJ036761 Oxirapentyne C18H20O6 332.125988 NA MeJP NA NA +MJ036762 Salignone D; 2?-Hydroxy C18H20O6 332.125988 NA MeJP NA NA +MJ036763 Syringopicrogenin A C18H20O6 332.125988 NA MeJP NA NA +MJ036764 Trypethelone; 7-Me ether, 8-methoxy, 4'-hydroxy C18H20O6 332.125988 NA MeJP NA NA +MJ036765 Ventiloquinone E C18H20O6 332.125988 NA MeJP NA NA +MJ036766 Zanamivir C12H20N4O7 332.133199 NA MeJP NA NA +C08095 Zanamivir C12H20N4O7 332.1332 NA KEGG NA NA +C08096 Transferred to D00903 C12H20N4O7 332.1332 NA KEGG NA NA +C08097 Transferred to D00904 C12H20N4O7 332.1332 NA KEGG NA NA +C08098 Transferred to D00905 C12H20N4O7 332.1332 NA KEGG NA NA +PJ000344 GQE C12H20N4O7 332.1332 NA PeJP NA NA +3201 chymotrypsin inhibitor GAW 332.137 celiac toxic Inhouse_peptide NA peptide +MJ036767 Septorine; N-Methoxy C17H20N2O5 332.137221 NA MeJP NA NA +MJ036768 Antibiotic PF 1131 C16H25ClO5 332.139051 NA MeJP NA NA +MJ036769 Chlovalicin C16H25ClO5 332.139051 NA MeJP NA NA +C15387 1-Dehydro-9-fluoro-11-oxotestololactone C19H21FO4 332.1424 NA KEGG NA NA +MJ036770 Ajugol; 6-Deoxy C15H24O8 332.147117 NA MeJP NA NA +MJ036771 Capensioside C15H24O8 332.147117 NA MeJP NA NA +MJ036772 Deutziol; 6-Deoxy C15H24O8 332.147117 NA MeJP NA NA +MJ036773 Ningpogenin; 1-O-?-D-Glucopyranoside C15H24O8 332.147117 NA MeJP NA NA +MJ036774 Ningpogenin; 10-O-?-D-Glucopyranoside C15H24O8 332.147117 NA MeJP NA NA +PJ000345 QW C16H20N4O4 332.1485 NA PeJP NA NA +MJ036775 Dihydrogambirtannine C21H20N2O2 332.152477 NA MeJP NA NA +7563 ACE inhibitor from soy hydrolysate YLAGNQ 332.15295 MH2+ Inhouse_peptide NA peptide +3804 NA YPWSL 332.155 MH2+ Inhouse_peptide NA peptide +MJ036776 Darbufelone C18H24N2O2S 332.155848 NA MeJP NA NA +MJ036777 Spectinomycin C14H24N2O7 332.158351 NA MeJP NA NA +C02078 Spectinomycin C14H24N2O7 332.1584 NA KEGG NA NA +MJ036778 1,10-Epoxyfuranoeremophilane-3,6-diol, 3-(2-Methyl-2-propenoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036779 1,10-Epoxyfuranoeremophilane-6,9-diol, 6-(2-Methylpropenoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036780 1,12-Diacetoxy-6,9,11-eremophilatrien-8-one C19H24O5 332.162373 NA MeJP NA NA +MJ036781 1,6-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036782 1,7-Bis(3,4-dihydroxyphenyl)-3-heptanol C19H24O5 332.162373 NA MeJP NA NA +MJ036783 1,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Methylpropanoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036784 1,8-Dihydroxy-3,9,11(13)-guaiatrien-12,6-olide, 8-(2-Methylpropanoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036785 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; Penta-Me ether C19H24O5 332.162373 NA MeJP NA NA +MJ036786 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(2-Methylpropenoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036787 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14-Aldehyde, 15-(methylpropanoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036788 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(2-Methyl-2-propenoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036789 15,16-Epoxy-6,18-dihydroxy-19-nor-4,13(16),14-clerodatrien-20,12-olide C19H24O5 332.162373 NA MeJP NA NA +MJ036790 15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 2,3-Epoxy-2-methylpropanoyl C19H24O5 332.162373 NA MeJP NA NA +MJ036791 15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 2-Hydroxymethyl-2-propenoyl C19H24O5 332.162373 NA MeJP NA NA +MJ036792 2,3-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 2-(2-Methylpropanoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036793 2,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 2-(2-Methylpropanoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036794 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]decane-3,4,8-triol; 8-Deoxy, 3-O-(3-methylbutanoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036795 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]decane-3,4-diol, 3-(3-Methylbutanoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036796 3,4-Epoxy-8-hydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylpropanoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036797 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Methylpropanoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036798 3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036799 3,8-Dihydroxy-4-rotunden-13,6-olide, 8-(2-Methyl-2-propenoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036800 3-Hydroxyfuranoeremophilan-15-oic acid, 3-(2-Methylpropenoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036801 3-Phenyl-1-(2,3,4,6-tetrahydroxyphenyl)-1-propanol, 1,3',4',6'-Tetra-Me ether C19H24O5 332.162373 NA MeJP NA NA +MJ036802 4,15-Epoxyfuranoeremophil-1(10)-en-6-ol, 1?,10?-Epoxide, 6-(2-methylpropanoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036803 4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036804 4,6-Dihydroxy-1(10),11(13)-pseudoguaiadien-12,8-olide, 6-(Methylpropenoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036805 4,8-Scirpenediol, 8-Ketone, 4-O-(2Z-butenoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036806 5,7-Dihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; 2',3'-Dihydro, 3'-hydroxy C19H24O5 332.162373 NA MeJP NA NA +MJ036807 5,8-Epoxy-18-nor-3,6-dioxo-11,15-cembradien-20,10-olide C19H24O5 332.162373 NA MeJP NA NA +MJ036808 6,15-Dihydroxy-1,3,11(13)-elematrien-12,8-olide, 15-Aldehyde, 6-(methylpropanoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036809 6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, 2-Methylpropenoyl C19H24O5 332.162373 NA MeJP NA NA +MJ036810 8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036811 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036812 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036813 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Ketone, O-(2-methylpropanoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036814 8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-O-(3-Methyl-2-butenyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036815 8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 2-Methylpropanoyl C19H24O5 332.162373 NA MeJP NA NA +MJ036816 8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide; 1(10)Z,4E,6?,8?-form, 2-Methylpropanoyl C19H24O5 332.162373 NA MeJP NA NA +MJ036817 Crotocol; O-(2Z-Butenoyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036818 Gibberellin A20 C19H24O5 332.162373 NA MeJP NA NA +MJ036819 Gibberellin A4 C19H24O5 332.162373 NA MeJP NA NA +MJ036820 Gibberellin A61 C19H24O5 332.162373 NA MeJP NA NA +MJ036821 Gibberellin A9; 15?-Hydroxy C19H24O5 332.162373 NA MeJP NA NA +MJ036822 Gibberellin A9; 2?-Hydroxy C19H24O5 332.162373 NA MeJP NA NA +MJ036823 Gibberellin A9; 2?-Hydroxy C19H24O5 332.162373 NA MeJP NA NA +MJ036824 Isotrichothecin C19H24O5 332.162373 NA MeJP NA NA +MJ036825 Mammea C/OB C19H24O5 332.162373 NA MeJP NA NA +MJ036826 Marmin C19H24O5 332.162373 NA MeJP NA NA +MJ036827 Nagilactone A; 1-Deoxy C19H24O5 332.162373 NA MeJP NA NA +MJ036828 Nagilactone F; 2?-Hydroxy C19H24O5 332.162373 NA MeJP NA NA +MJ036829 Nagilactone F; 3?-Hydroxy C19H24O5 332.162373 NA MeJP NA NA +MJ036830 Nagilactone F; 7?,8?-Epoxide C19H24O5 332.162373 NA MeJP NA NA +MJ036831 Osthenol; O-(2,3-Dihydroxy-3-methylbutyl) C19H24O5 332.162373 NA MeJP NA NA +MJ036832 Paramiltioic acid C19H24O5 332.162373 NA MeJP NA NA +MJ036833 Sagittolactone C19H24O5 332.162373 NA MeJP NA NA +MJ036834 Taxifolial A C19H24O5 332.162373 NA MeJP NA NA +MJ036835 Tomentellin C19H24O5 332.162373 NA MeJP NA NA +MetaCyc02915 GA20 [gibberellin A20;gibberellin A20;GA20;] C19H24O5 332.162374 NA metacyc NA NA +MetaCyc02916 GA4 [gibberellin A4;gibberellin A4;GA4;] C19H24O5 332.162374 NA metacyc NA NA +MetaCyc02917 GA40 [gibberellin A40;gibberellin A40;GA40;] C19H24O5 332.162374 NA metacyc NA NA +MetaCyc02918 GA51 [gibberellin A51;gibberellin A51;GA51;] C19H24O5 332.162374 NA metacyc NA NA +C02035 Gibberellin A20 C19H24O5 332.1624 NA KEGG NA NA +C09742 Trichothecin C19H24O5 332.1624 NA KEGG NA NA +C11864 Gibberellin A4 C19H24O5 332.1624 NA KEGG NA NA +C11865 Gibberellin A51 C19H24O5 332.1624 NA KEGG NA NA +PJ000346 GKE C13H24N4O6 332.1696 NA PeJP NA NA +3386 ACE inhibitor KW 332.173 celiac toxic Inhouse_peptide NA peptide +MJ036836 Ancarolol C18H24N2O4 332.173607 NA MeJP NA NA +MJ036837 Pseudophrynaminol, ar-Hydroxy, ar-methoxy, 4'-carboxylic acid, Me ester C18H24N2O4 332.173607 NA MeJP NA NA +MJ036838 14,20-Tricosadiene-3,5,10,12,22-pentayne-1,2-diol C23H24O2 332.17763 NA MeJP NA NA +MJ036839 Endiandric acid B C23H24O2 332.17763 NA MeJP NA NA +MJ036840 Endiandric acid C C23H24O2 332.17763 NA MeJP NA NA +MJ036841 Endiandric acid D C23H24O2 332.17763 NA MeJP NA NA +C14885 9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione C20H25FO3 332.1788 NA KEGG NA NA +C15147 9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-1,4-diene-3,17-dione C20H25FO3 332.1788 NA KEGG NA NA +PJ000347 GTR C12H24N6O5 332.1808 NA PeJP NA NA +C04655 (2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate C16H28O7 332.1835 NA KEGG NA NA +C04656 1,3-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-R C14H24NO11R 332.1835 NA KEGG NA NA +C04657 1,4-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-R C14H24NO11R 332.1835 NA KEGG NA NA +MJ036842 1,8-Epoxy-p-menthan-2-ol, O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036843 1,8-Epoxy-p-menthan-3-ol, O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036844 1,8-Epoxy-p-menthan-4-ol; O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036845 2,4-Thujanediol, 4-O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036846 2,5-Bornanediol, 2-O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036847 2,5-Fenchanediol, 2-O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036848 2,6-Dimethyl-1,7-octadiene-3,6-diol; 3-O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036849 2,6-Dimethyl-2,6-octadiene-1,8-diol, 8-O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036850 2,6-Dimethyl-2,7-octadiene-1,6-diol, 1-O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036851 2,6-Dimethyl-2,7-octadiene-1,6-diol, 6-O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036852 2,6-Dimethyl-2,7-octadiene-1,6-diol, 1-O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036853 2,6-Dimethyl-3,7-octadiene-2,6-diol; 2-O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036854 2,6-Fenchanediol, 2-O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036855 2,7-Dimethyl-2,4-octadiene-1,8-diol, 8-O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036856 2-Hydroxy-1,2,3-tridecanetricarboxylic acid C16H28O7 332.183503 NA MeJP NA NA +MJ036857 3,7-Dimethyl-2,6-octadiene-1,4-diol; 8-O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036858 6-Methyl-2-vinyl-5-heptene-1,2-diol; 1-O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036859 7-Methyl-3-methylene-6-octene-1,2-diol, 2-O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036860 9,10-Pinanediol; 10-O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036861 D-glycero-D-galacto-Heptitol; 1,2:4,5:6,7-Tri-O-isopropylidene C16H28O7 332.183503 NA MeJP NA NA +MJ036862 p-Menth-1-ene-3,6-diol, 6-O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MJ036863 p-Menth-1-ene-7,8-diol, 8-O-?-D-Glucopyranoside C16H28O7 332.183503 NA MeJP NA NA +MetaCyc02919 (2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylate [] C16H28O7 332.183503 NA metacyc NA NA +MJ036864 Doreptide C17H24N4O3 332.18484 NA MeJP NA NA +PJ000348 KW C17H24N4O3 332.1849 NA PeJP NA NA +MJ036865 Difforine C22H24N2O 332.188863 NA MeJP NA NA +MJ036866 Lavanducyanin C22H24N2O 332.188863 NA MeJP NA NA +MJ036867 Tropirine C22H24N2O 332.188863 NA MeJP NA NA +MJ036868 1(10)-Epoxy-3-hydroxy-4,11-germacradien-9-one, Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ036869 1,10-Epoxyfuranoeremophilan-6-ol, O-(2-Methylbutanoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ036870 1,2-Epoxy-13-oxo-6,10,14-phytatrien-20,1-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036871 1,6,7-Trihydroxy-16-kauren-19-oic acid, 19?6 Lactone C20H28O4 332.198759 NA MeJP NA NA +MJ036872 1-Hydroxy-15-oxo-16-kauren-19-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036873 1-Hydroxy-3,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, 1-(3-methyl-2-butenoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ036874 1-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, 1-Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ036875 1-Hydroxy-4,11(13)-eudesmadien-12,8-olide, O-(2-Methylbutanoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ036876 1-Hydroxy-7(11)-eremophilen-12,8-olide, Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ036877 1-[3-(3,7-Dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl]-2-methyl-1-propanone C20H28O4 332.198759 NA MeJP NA NA +MJ036878 10,11-Dihydroxy-7-oxo-15-rosen-19-oic acid, 19 ? 10 Lactone C20H28O4 332.198759 NA MeJP NA NA +MJ036879 11,12,15-Trihydroxy-8,11,13-abietatrien-20-al C20H28O4 332.198759 NA MeJP NA NA +MJ036880 11,12,16-Trihydroxy-8,11,13-abietatrien-20-oic acid; 20-Aldehyde C20H28O4 332.198759 NA MeJP NA NA +MJ036881 11,12,16-Trihydroxy-8,11,13-abietatrien-7-one C20H28O4 332.198759 NA MeJP NA NA +MJ036882 11,12-Epoxy-8-hydroxy-3,6,15(17)-cembratrien-16,2-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036883 11,14-Dioxo-12-mulinen-20-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036884 11,14-Epoxy-7-hydroxy-4,8(17)-briaradien-18,7-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036885 11,15-Dihydroxy-16-kauren-19-oic acid, 11-Ketone C20H28O4 332.198759 NA MeJP NA NA +MJ036886 11,15-Dihydroxy-16-kauren-19-oic acid, 15-Ketone C20H28O4 332.198759 NA MeJP NA NA +MJ036887 11,15-Dihydroxy-2,12-cyathadiene-1,14-dione C20H28O4 332.198759 NA MeJP NA NA +MJ036888 11,15-Dihydroxy-3,12-cyathadiene-2,14-dione; 11?-form C20H28O4 332.198759 NA MeJP NA NA +MJ036889 11,15-Dihydroxy-9-oxo-5,13,17-prostatrienoic acid, 1,15-Lactone C20H28O4 332.198759 NA MeJP NA NA +MJ036890 11-Hydroxy-1(10),4-germacradien-12,6-olide, Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ036891 11-Hydroxy-16-oxo-5,8,12,14,17-eicosapentaenoic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036892 11-Hydroxy-6-oxo-3,12(18)-dolabelladien-19,10-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036893 12,15-Dihydroxy-16-kauren-19-oic acid, 15-Ketone C20H28O4 332.198759 NA MeJP NA NA +MJ036894 12,15-Dihydroxy-8,11,13-abietatrien-18-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036895 12,16-Dihydroxy-8,12-abietadiene-11,14-dione C20H28O4 332.198759 NA MeJP NA NA +MJ036896 12,17-Epoxy-3-hydroxy-8,13-labdadien-16,15-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036897 12,19-Dihydroxy-8,12-abietadiene-11,14-dione C20H28O4 332.198759 NA MeJP NA NA +MJ036898 12-Hydroxy-8,12-abietadiene-11,14-dione; 2?-Hydroxy C20H28O4 332.198759 NA MeJP NA NA +MJ036899 12-Hydroxy-9(11),16-kauradien-19-oic acid, 16?,17-Epoxide C20H28O4 332.198759 NA MeJP NA NA +MJ036900 13,14-Dehydro-14,15-dihydro-15-peroxyfurosolidagonone C20H28O4 332.198759 NA MeJP NA NA +MJ036901 13,14-Dihydroxy-3-oxo-15-atisen-17-al C20H28O4 332.198759 NA MeJP NA NA +MJ036902 13,16-Epoxy-2-hydroxy-7,13(16),14-labdatrien-18-oic acid; 2?-form C20H28O4 332.198759 NA MeJP NA NA +MJ036903 13-Hydroxy-14-oxo-3,4-seco-16-atisen-3,4-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036904 13-Hydroxy-7-oxo-8(14)-abieten-19,6-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036905 15,16-Dihydroxy-1(19),6,10,13-xenicatetraen-18,17-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036906 15,16-Epoxy,3,4-dihydroxy-13(16),14-clerodadien-12-one, 3-Ketone C20H28O4 332.198759 NA MeJP NA NA +MJ036907 15,16-Epoxy-12-hydroxy-3,13(16),14-clerodatrien-18-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036908 15,16-Epoxy-13(16),14-labdadiene-6,9,19-triol, 19-Carboxylic acid, 19?6 lactone C20H28O4 332.198759 NA MeJP NA NA +MJ036909 15,16-Epoxy-17-hydroxy-7,13(16),14-labdatrien-19-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036910 15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-18-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036911 15,16-Epoxy-3,12-dihydroxy-8(17),13(16),14-labdatrien-2-one C20H28O4 332.198759 NA MeJP NA NA +MJ036912 15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 18-Carboxylic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036913 15,16-Epoxy-3,6-dihydroxy-8(17),13(16),14-labdatrien-12-one C20H28O4 332.198759 NA MeJP NA NA +MJ036914 15,16-Epoxy-6-hydroxy-3,13(16),14-clerodatrien-18-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036915 15,16-Epoxy-6-hydroxy-3,13(16),14-clerodatrien-19-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036916 15,16-Epoxy-7-hydroxy-3,13(16),14-clerodatrien-18-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036917 15,16-Epoxy-7-hydroxy-8(17),13(16),14-labdatrien-19-oic acid; 7?-form C20H28O4 332.198759 NA MeJP NA NA +MJ036918 15,16-Epoxy-9,19-dihydroxy-7,13(16),14-labdatrien-6-one; 9?-form C20H28O4 332.198759 NA MeJP NA NA +MJ036919 15,16:18,19-Diepoxy-3,13(16),14-labdatriene-6,19-diol C20H28O4 332.198759 NA MeJP NA NA +MJ036920 15,17-Epoxy-7-hydroxy-13(15),14(17)-cassadien-12-one, 16-Hydroxy C20H28O4 332.198759 NA MeJP NA NA +MJ036921 15-(2-Furoyloxy)-2,10-bisaboladien-7-ol C20H28O4 332.198759 NA MeJP NA NA +MJ036922 15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 2-Methylbutanoyl C20H28O4 332.198759 NA MeJP NA NA +MJ036923 15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Methylbutanoyl C20H28O4 332.198759 NA MeJP NA NA +MJ036924 15-Hydroxy-12-oxo-7,13-abietadien-18-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036925 15-Hydroxy-3,11(13)-eudesmadien-12-oic acid; Tigloyl C20H28O4 332.198759 NA MeJP NA NA +MJ036926 15-Hydroxy-9-oxo-5,10,13,17-prostatetraenoic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036927 15-Kaurene-17,18-diol; ent-form, 17,18-Dicarboxylic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036928 15-Kaurene-17,19-diol; ent-form, 17,19-Dicarboxylic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036929 16-Hydroxy-15-oxo-13-spongien-19-oic acid; 16?-form, 16-Deoxy C20H28O4 332.198759 NA MeJP NA NA +MJ036930 16-Hydroxy-15-oxo-13-spongien-19-oic acid; 16?-form, 16-Ketone (lactone), 15-deoxo C20H28O4 332.198759 NA MeJP NA NA +MJ036931 16-Hydroxy-17-oxo-7,13-labdadien-15,16-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036932 16-Hydroxy-2-oxo-3,13-clerodadien-15,16-olide; ent-form C20H28O4 332.198759 NA MeJP NA NA +MJ036933 16-Hydroxy-6-oxo-7,13-labdadien-15-oic acid, 16-Aldehyde C20H28O4 332.198759 NA MeJP NA NA +MJ036934 16-Kaurene-3,6,11,15-tetrol, 3,15-Diketone C20H28O4 332.198759 NA MeJP NA NA +MJ036935 18,19-Epoxy-19-hydroxy-3,13-clerodadien-15,16-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036936 18-Hydroxy-3,13-clerodadien-16,15-olide, 18-Carboxylic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036937 18-Hydroxy-8(17),13-labdadien-15,16-olide; ent-form, 18-Carboxylic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036938 19-Hydroxy-8(17),13-labdadien-15,16-olide; ent-form, 19-Carboxylic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036939 2,14-Dihydroxy-8,11,13-abietatrien-18-oic acid; 2?-form C20H28O4 332.198759 NA MeJP NA NA +MJ036940 2,16-Dihydroxy-1,4(18)-erythroxyladiene-3,15-dione C20H28O4 332.198759 NA MeJP NA NA +MJ036941 2,16-Dihydroxy-1,8(14)-pimaradiene-3,15-dione C20H28O4 332.198759 NA MeJP NA NA +MJ036942 2,17-Dihydroxy-13(16),14-spongiadien-3-one C20H28O4 332.198759 NA MeJP NA NA +MJ036943 2,19-Dihydroxy-13(16),14-spongiadien-3-one; 2?-form C20H28O4 332.198759 NA MeJP NA NA +MJ036944 2,19-Epoxy-18-hydroxy-3,13-clerodadien-15,16-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036945 2,19-Epoxy-18-hydroxy-3,13-clerodadien-16,15-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036946 2,6,11-Trihydroxy-7,9(11),13-abietatrien-12-one C20H28O4 332.198759 NA MeJP NA NA +MJ036947 2,6-Dihydroxy-1,4(18),15-erythroxylatrien-3-one, 4?,18-Epoxide C20H28O4 332.198759 NA MeJP NA NA +MJ036948 2,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one; 2?-form C20H28O4 332.198759 NA MeJP NA NA +MJ036949 2,7,14-Trihydroxy-16-kauren-15-one, 2-Ketone C20H28O4 332.198759 NA MeJP NA NA +MJ036950 2-Epoxyfloridicin C20H28O4 332.198759 NA MeJP NA NA +MJ036951 2-Hydroxy-1(10)-oplopene-4,9-dione; 2?-form, O-Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ036952 2-Hydroxy-7(11)-eremophilen-12,8-olide, Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ036953 2-Hydroxy-7(11)-eremophilen-12,8-olide, Tigloyl C20H28O4 332.198759 NA MeJP NA NA +MJ036954 20-Hydroxy-13-oxo-2,6,10,14-phytatetraen-1,20-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036955 3,10-Dihydroxy-5,11-dielmenthadiene-4,9-dione C20H28O4 332.198759 NA MeJP NA NA +MJ036956 3,11,12-Trihydroxy-8,11,13-abietatrien-7-one C20H28O4 332.198759 NA MeJP NA NA +MJ036957 3,11-Dihydroxy-6,9-eremophiladien-8-one; 3?-form, 3-Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ036958 3,13-Clerodadien-15,12-olid-18-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036959 3,13-Clerodadien-15,16-olid-17-oic acid; ent-form C20H28O4 332.198759 NA MeJP NA NA +MJ036960 3,13-Clerodadien-15,16-olid-18-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036961 3,13-Clerodadien-15,16-olid-19-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036962 3,13-Clerodadien-16,15-olid-17-oic acid; ent-form C20H28O4 332.198759 NA MeJP NA NA +MJ036963 3,13-Clerodadien-16,15-olid-18-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036964 3,13-Dihydroxy-16-atisen-14-one, 3-Ketone, 15?-hydroxy C20H28O4 332.198759 NA MeJP NA NA +MJ036965 3,13-Dihydroxy-16-atisen-14-one, 3-Ketone, 18-hydroxy C20H28O4 332.198759 NA MeJP NA NA +MJ036966 3,14-Dihydroxy-1(6),3,15-bifloratriene-2,5-dione C20H28O4 332.198759 NA MeJP NA NA +MJ036967 3,16-Dihydroxy-1(6),3,14-bifloratriene-2,5-dione C20H28O4 332.198759 NA MeJP NA NA +MJ036968 3,16-Dihydroxy-7-isopimarene-2,15-dione, 3-Ketone C20H28O4 332.198759 NA MeJP NA NA +MJ036969 3,17-Dihydroxy-13(16),14-spongiadien-2-one C20H28O4 332.198759 NA MeJP NA NA +MJ036970 3,19-Dihydroxy-13(16),14-spongiadien-2-one C20H28O4 332.198759 NA MeJP NA NA +MJ036971 3,19-Dihydroxy-8(17),11,13-labdatrien-16,15-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036972 3,19-Dihydroxy-8,12-abietadiene-11,14-dione C20H28O4 332.198759 NA MeJP NA NA +MJ036973 3,19-Epoxy-14-hydroxy-8(17),12-labdadien-16,15-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036974 3,4-Epoxy-13-hydroxy-7,15(17)-cembradien-16,14-olide, 13-Ketone C20H28O4 332.198759 NA MeJP NA NA +MJ036975 3,4-Epoxy-13-oxo-7,15(17)-cembradien-15,14-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036976 3,4-Epoxy-14-hydroxy-7,11,15(17)-cembratrien-16,2-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036977 3,4-Epoxy-8-hydroxy-6,11,15(17)-cembratrien-16,14-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036978 3,4-Epoxy-8-hydroxy-7(14),10-bisaboladien-2-one; O-Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ036979 3,4:15,16-Diepoxy-13(16),14-clerodadien-20-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ036980 3,5,6-Trihydroxy-13(17),15-cleistanthadien-19-oic acid, 19?6 Lactone C20H28O4 332.198759 NA MeJP NA NA +MJ036981 3,5-Dihydroxy-12,15-cassadien-19,6-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036982 3,6,7-Trihydroxy-16-kauren-19-oic acid, 19?6 Lactone C20H28O4 332.198759 NA MeJP NA NA +MJ036983 3,7,14-Trihydroxy-16-kauren-15-one, 3-Ketone C20H28O4 332.198759 NA MeJP NA NA +MJ036984 3,9-Dihydroxy-1(10),11-spirovetivadien-2-one, 9-(3-Methyl-2-butenoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ036985 3,9-Dihydroxy-1(10),11-spirovetivadien-2-one, 9-Tigloyl C20H28O4 332.198759 NA MeJP NA NA +MJ036986 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 4'-O-(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)(E-), 3'-Me ether C20H28O4 332.198759 NA MeJP NA NA +MJ036987 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 4'-O-(7-Hydroxy-3,7-dimethyl-2,5-octadienyl)(E,E-), 3'-Me ether C20H28O4 332.198759 NA MeJP NA NA +MJ036988 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 3-(3-methylbutanoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ036989 3-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ036990 3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, O-(2,3-Epoxy-2-methylbutanoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ036991 3-Hydroxy-7-oxo-13(15)-abieten-16,12-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036992 3-Hydroxy-7-oxo-13(15)-cassen-16-oic acid, 8,9-Didehydro C20H28O4 332.198759 NA MeJP NA NA +MJ036993 3-Hydroxyfukinanolide; 3?-form, Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ036994 3-Hydroxyfukinanolide; 3?-form, Tigloyl C20H28O4 332.198759 NA MeJP NA NA +MJ036995 3-Hydroxyfuranoeremophilan-9-one, 3-Methylbutanoyl C20H28O4 332.198759 NA MeJP NA NA +MJ036996 4(3?2)-Abeo-16-hydroxy-3-oxo-2(14),13-clerodadien-15,16-olide C20H28O4 332.198759 NA MeJP NA NA +MJ036997 4,12;14,15-Diepoxy-5(15)-isocedren-14-ol, 2-Methylbutanoyl C20H28O4 332.198759 NA MeJP NA NA +MJ036998 4,5-Epoxy-13-hydroxy-4,5-seco-16-atisene-3,14-dione C20H28O4 332.198759 NA MeJP NA NA +MJ036999 4-Deoxycohumulone C20H28O4 332.198759 NA MeJP NA NA +MJ037000 4-Hydroxy-19-oxo-1(9),6,13-xenicatrien-18,17-olide C20H28O4 332.198759 NA MeJP NA NA +MJ037001 5,10-Epoxy-7,11-dihydroxy-7,15-rosadien-6-one C20H28O4 332.198759 NA MeJP NA NA +MJ037002 5,11-Dihydroxy-1-silphinen-3-one; 5-Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037003 5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid, 6,7,14,15-Tetradehydro C20H28O4 332.198759 NA MeJP NA NA +MJ037004 5,13-Halimadien-16,15-olid-18-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ037005 5,6-Epoxy-7,13-dihydroxy-2-methylene-12-(2-methyl-1-propenyl)-6-methylbicyclo[7.4.0]tridec-10-ene-10-carboxaldehyde C20H28O4 332.198759 NA MeJP NA NA +MJ037006 5-Hydroxy-2-himachalen-12,7-olide, Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037007 5-Hydroxy-2-undecyl-4H-1-benzopyran-4-one; 7-Hydroxy C20H28O4 332.198759 NA MeJP NA NA +MJ037008 6,10-Dihydroxy-7-oxo-15-rosen-19-oic acid, 19 ? 10 Lactone C20H28O4 332.198759 NA MeJP NA NA +MJ037009 6,11,12-Trihydroxy-8,11,13-abietatrien-7-one; 6?-form C20H28O4 332.198759 NA MeJP NA NA +MJ037010 6,11-Epoxy-6,12-dihydroxy-6,7-seco-8,11,13-abietatrien-7-al; 6?-form C20H28O4 332.198759 NA MeJP NA NA +MJ037011 6,13-Dihydroxy-7-oxo-5,8(14)-abietadien-19-al; 13?-form C20H28O4 332.198759 NA MeJP NA NA +MJ037012 6,14-Dihydroxy-3,7,11,15(17)-cembratetraen-16,2-olide C20H28O4 332.198759 NA MeJP NA NA +MJ037013 6,16-Dihydroxy-8(17),11,13-labdatrien-15,16-olide C20H28O4 332.198759 NA MeJP NA NA +MJ037014 6,7,11-Trihydroxy-16-kauren-19-oic acid, 19?6 Lactone C20H28O4 332.198759 NA MeJP NA NA +MJ037015 6,7,12-Trihydroxy-16-kauren-19-oic acid, 19?6 Lactone C20H28O4 332.198759 NA MeJP NA NA +MJ037016 6,7,18-Trihydroxy-16-kauren-19-oic acid, 19?6 Lactone C20H28O4 332.198759 NA MeJP NA NA +MJ037017 6,7-Dihydroxy-8,13-abietadiene-11,12-dione C20H28O4 332.198759 NA MeJP NA NA +MJ037018 6,7-Epoxy-1(19),10,12-xenicatrien-18,17-olide, 14-Hydroxy C20H28O4 332.198759 NA MeJP NA NA +MJ037019 6,7-Epoxy-17-hydroxy-1(19),11,13-xenicatrien-18,10-olide C20H28O4 332.198759 NA MeJP NA NA +MJ037020 6,7-Seco-5(10),15-rosadien-6,11-olid-7-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ037021 6-Hydroxy-7-oxo-3,13-clerodadien-15,16-olide C20H28O4 332.198759 NA MeJP NA NA +MJ037022 6-Hydroxyfuranoeremophilan-9-one, 3-Methylbutanoyl C20H28O4 332.198759 NA MeJP NA NA +MJ037023 6-Oxo-7,13-labdadien-15,16-olide; ent-form, 16?-Hydroxy C20H28O4 332.198759 NA MeJP NA NA +MJ037024 7,10-Epoxy-5,8,11,13-icetexatetraene-11,12-diol, 5,6-Dihydro, 6?-hydroxy C20H28O4 332.198759 NA MeJP NA NA +MJ037025 7,12-Dihydroxy-8,12-abietadiene-11,14-dione C20H28O4 332.198759 NA MeJP NA NA +MJ037026 7,13-Labdadien-15,16-olid-18-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ037027 7,13-Labdadien-15,16-olid-19-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ037028 7,13-Labdadien-16,15-olid-18-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ037029 7,14,15-Trihydroxy-1,16-kauradien-3-one C20H28O4 332.198759 NA MeJP NA NA +MJ037030 7,15-Dihydroxy-16-atisen-19,20-olide C20H28O4 332.198759 NA MeJP NA NA +MJ037031 7,15-Dihydroxy-8,11,13-abietatrien-18-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ037032 7,20-Epoxy-8,11,13-abietatriene-11,12,16-triol C20H28O4 332.198759 NA MeJP NA NA +MJ037033 7,20:18,20-Diepoxy-16-atisene-15,18-diol C20H28O4 332.198759 NA MeJP NA NA +MJ037034 7,8-Epoxy-14-hydroxy-3,11,15(17)-cembratrien-16,2-olide C20H28O4 332.198759 NA MeJP NA NA +MJ037035 7,9-Dihydroxy-8(14),13(15)-abietadien-16,12-olide C20H28O4 332.198759 NA MeJP NA NA +MJ037036 7,9-Dihydroxy-8(14),15-isopimaradiene-3,11-dione C20H28O4 332.198759 NA MeJP NA NA +MJ037037 8(17),13-Labdadien-16,15-olid-19-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ037038 8,10-Dihydroxy-3-longipinen-5-one, 10-Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037039 8,10-Dihydroxy-3-longipinen-5-one, 10-O-(3-Methyl-2-butenoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ037040 8,10-Dihydroxy-3-longipinen-5-one, 8-Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037041 8,11,13-Abietatrien-18-oic acid; 15-Hydroperoxy C20H28O4 332.198759 NA MeJP NA NA +MJ037042 8,11,13-Abietatriene-11,12,20-triol; 20-Carboxylic acid C20H28O4 332.198759 NA MeJP NA NA +MJ037043 8,12-Epidioxy-9(11),13-labdadien-15,12-olide C20H28O4 332.198759 NA MeJP NA NA +MJ037044 8,12-Epoxy-1(10),7(11),8-eremophilatriene-6,12-diol, 6-(2-Methylpropanoyl), 12-Me ether C20H28O4 332.198759 NA MeJP NA NA +MJ037045 8,14-Dihydroxy-1(19),6,10,12-xenicatetraen-17,18-olide C20H28O4 332.198759 NA MeJP NA NA +MJ037046 8,14-Dihydroxy-1(19),6,10,12-xenicatetraen-18,17-olide; 8?-form C20H28O4 332.198759 NA MeJP NA NA +MJ037047 8,14-Epoxy-11-hydroxy-13(15)-abieten-16,12-olide C20H28O4 332.198759 NA MeJP NA NA +MJ037048 8,15-Seco-16-kauren-15,8-olid-20-oic acid; ent-form C20H28O4 332.198759 NA MeJP NA NA +MJ037049 8,16-Dihydroxy-19-serrulatanoic acid C20H28O4 332.198759 NA MeJP NA NA +MJ037050 8,20-Dihydroxy-14-serrulaten-19-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ037051 8-(2,4-Dihydroxy-2,6,6-trimethylcyclohexylidene)-6-methyl-3,5,7-octatrien-2-one; 3'-Ac (Carotenid numbering) C20H28O4 332.198759 NA MeJP NA NA +MJ037052 8-Hydroxy-1(10),4,11(13)-germacratrien-12-oic acid, Tigloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037053 8-Hydroxy-4-daucene-3,9-dione, 8-Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037054 8-Hydroxy-7-oxo-9(11),15-abietadien-18-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ037055 9,13-Epidioxy-8(14)-abieten-18-oic acid, 4-Epimer, 15,16-didehydro C20H28O4 332.198759 NA MeJP NA NA +MJ037056 9,15-Dihydroxy-16-atisen-19-oic acid, 15-Ketone C20H28O4 332.198759 NA MeJP NA NA +MJ037057 9,15-Dihydroxy-16-kauren-19-oic acid, 15-Ketone C20H28O4 332.198759 NA MeJP NA NA +MJ037058 9,17-Octadecadiene-12,14-diyne-1,11,16-triol, 1-Ac C20H28O4 332.198759 NA MeJP NA NA +MJ037059 9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-(2-Methylbutanoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ037060 9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-(3-Methylbutanoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ037061 9-Hydroxy-16-oxo-8(14),13(15)-abietadien-19-oic acid C20H28O4 332.198759 NA MeJP NA NA +MJ037062 9-Hydroxy-6-oxo-7,13-labdadien-15,16-olide; 9?-form C20H28O4 332.198759 NA MeJP NA NA +MJ037063 9-Hydroxy-7-oxo-8(14),15-isopimaradien-20-oic acid; 9?-form C20H28O4 332.198759 NA MeJP NA NA +MJ037064 Adhulupone C20H28O4 332.198759 NA MeJP NA NA +MJ037065 Cadlinolide B; 16-Ketone C20H28O4 332.198759 NA MeJP NA NA +MJ037066 Callicarpone C20H28O4 332.198759 NA MeJP NA NA +MJ037067 Cannabichromanone C20H28O4 332.198759 NA MeJP NA NA +MJ037068 Cannabigerovarinic acid C20H28O4 332.198759 NA MeJP NA NA +MJ037069 Crinipellin A; 9-Ketone, 4?,8?-dialcohol C20H28O4 332.198759 NA MeJP NA NA +MJ037070 Cupresol; 12-Me ether C20H28O4 332.198759 NA MeJP NA NA +MJ037071 Curculathyrane A C20H28O4 332.198759 NA MeJP NA NA +MJ037072 Curculathyrane B C20H28O4 332.198759 NA MeJP NA NA +MJ037073 Dichroanal A C20H28O4 332.198759 NA MeJP NA NA +MJ037074 Dimeroperatic acid C20H28O4 332.198759 NA MeJP NA NA +MJ037075 Elisabethin A; 2?-Hydroxy C20H28O4 332.198759 NA MeJP NA NA +MJ037076 Foetidin C20H28O4 332.198759 NA MeJP NA NA +MJ037077 Fukinanolide; 2?-Hydroxy, 2-angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037078 Fukinanolide; 3?-Hydroxy, 3-tigloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037079 Furanoeremophil-1(10)-ene-3,6-diol, 6-(3-Methylbutanoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ037080 Furanoeremophil-1(10)-ene-4,6-diol, 6-(2-Methylbutanoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ037081 Furanoeremophil-1(10)-ene-4,6-diol, 6-(3-Methylbutanoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ037082 Furanoeremophil-1(10)-ene-6,9-diol, 6-(3-Methylbutanoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ037083 Furanoeremophilan-3-ol, O-(2-Hydroxymethyl-2Z-butenoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ037084 Furanoeremophilane-1,10-diol, 1-Tigloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037085 Furanoeremophilane-1,3-diol, 3-(3-Methyl-2-butenoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ037086 Furanoeremophilane-1,3-diol, 3-Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037087 Furanoeremophilane-1,6-diol, 1-Ketone, 6-(2-methylbutanoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ037088 Furanoeremophilane-1,6-diol, 1-Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037089 Furanoeremophilane-1,6-diol, 1-Ketone, 6-(2-methylbutanoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ037090 Furanoeremophilane-1,6-diol, 1-Ketone, 6-(3-methylbutanoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ037091 Furanoeremophilane-2,10-diol, 10-Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037092 Furanoeremophilane-2,9-diol, 2-Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037093 Furanoeremophilane-3,6-diol, 3-O-(3-Methyl-2-butenoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ037094 Furanoeremophilane-3,6-diol, 3-O-Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037095 Furanoeremophilane-3,6-diol, 3-O-Tigloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037096 Furanoeremophilane-3,6-diol, 6-O-Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037097 Furanoeremophilane-3,9-diol, 3-Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037098 Furanoeremophilane-6,10-diol, 6-(3-Methyl-2-butenoyl) C20H28O4 332.198759 NA MeJP NA NA +MJ037099 Furanoeremophilane-6,10-diol, 6-Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037100 Furanoeudesmane-3,4-diol, 3-Angeloyl C20H28O4 332.198759 NA MeJP NA NA +MJ037101 Galeolone C20H28O4 332.198759 NA MeJP NA NA +MJ037102 Galeopsitrione C20H28O4 332.198759 NA MeJP NA NA +MJ037103 Gibberellin A12 C20H28O4 332.198759 NA MeJP NA NA +MJ037104 Gibelactol C20H28O4 332.198759 NA MeJP NA NA +MJ037105 Hebemacrophyllide; 19-Hydroxy C20H28O4 332.198759 NA MeJP NA NA +MJ037106 Helioscopinolide A; 9-Hydroxy C20H28O4 332.198759 NA MeJP NA NA +MJ037107 Hulupone C20H28O4 332.198759 NA MeJP NA NA +MJ037108 Hyalic acid C20H28O4 332.198759 NA MeJP NA NA +MJ037109 Hypoleucic acid C20H28O4 332.198759 NA MeJP NA NA +MJ037110 Illustrol C20H28O4 332.198759 NA MeJP NA NA +MJ037111 Ingenol; 20-Deoxy C20H28O4 332.198759 NA MeJP NA NA +MJ037112 Ingenol; 5-Deoxy C20H28O4 332.198759 NA MeJP NA NA +MJ037113 Isojatrogrossidione; 2-Hydroxy C20H28O4 332.198759 NA MeJP NA NA +MJ037114 Jatrogrossidentadione C20H28O4 332.198759 NA MeJP NA NA +MJ037115 Jatrogrossidione C20H28O4 332.198759 NA MeJP NA NA +MJ037116 Kalkipyrone C20H28O4 332.198759 NA MeJP NA NA +MJ037117 Lobophytol C20H28O4 332.198759 NA MeJP NA NA +MJ037118 Lobophytum lactone C20H28O4 332.198759 NA MeJP NA NA +MJ037119 Nivenolide C20H28O4 332.198759 NA MeJP NA NA +MJ037120 Pallavicinia 2 C20H28O4 332.198759 NA MeJP NA NA +MJ037121 Pentandralactone C20H28O4 332.198759 NA MeJP NA NA +MJ037122 Pentandranoic acid A C20H28O4 332.198759 NA MeJP NA NA +MJ037123 Premarrubiin C20H28O4 332.198759 NA MeJP NA NA +MJ037124 Printzianic acid; 5?-Hydroxy, 10?-hydro C20H28O4 332.198759 NA MeJP NA NA +MJ037125 Prostaglandin C3 C20H28O4 332.198759 NA MeJP NA NA +MJ037126 Shikoccin; 11?-Hydroxy, 3-deacetoxy C20H28O4 332.198759 NA MeJP NA NA +MJ037127 Shikoccin; 1?-Hydroxy, 3-deacetoxy C20H28O4 332.198759 NA MeJP NA NA +MJ037128 Shikoccin; 3-Deacetoxy, 8?,14?-epoxide C20H28O4 332.198759 NA MeJP NA NA +MJ037129 Shikoccin; 3-Epimer, 3-de-Ac C20H28O4 332.198759 NA MeJP NA NA +MJ037130 Vallartanone B C20H28O4 332.198759 NA MeJP NA NA +MJ037131 Wedeliasecokaurenolide; 15?-Hydroxy C20H28O4 332.198759 NA MeJP NA NA +MJ037132 Xenialactol D; 1-Ketone C20H28O4 332.198759 NA MeJP NA NA +MetaCyc02920 iso-cohumulone [] C20H28O4 332.198759 NA metacyc NA NA +MetaCyc02921 diprenylphlorisobutyrophenone [deoxycohumulone;] C20H28O4 332.198759 NA metacyc NA NA +MetaCyc02922 GA12 [gibberellin A12;gibberellin A12;GA12;] C20H28O4 332.198759 NA metacyc NA NA +MetaCyc02923 GA14-aldehyde [gibberellin A14-aldehyde;gibberellin A14-aldehyde;GA14-aldehyde;] C20H28O4 332.198759 NA metacyc NA NA +MetaCyc02924 C20 skeleton [C20-GA skeleton;C20-gibberellin skeleton;open lactone gibberrellin skeleton;C20-GAs;C20-GAs;] C20H28O4 332.198759 NA metacyc NA NA +HMDB04031 11beta-Hydroxyprogesterone C20H28O4 332.19876 http://www.hmdb.ca/metabolites/HMDB04031 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02358 Carnosic acid C20H28O4 332.19876 http://www.hmdb.ca/metabolites/HMDB02358 HMDB NA NA +HMDB04031 11beta-Hydroxyprogesterone C20H28O4 332.19876 http://www.hmdb.ca/metabolites/HMDB04031 HMDB NA NA +HMDB04031 11beta-Hydroxyprogesterone C20H28O4 332.19876 http://www.hmdb.ca/metabolites/HMDB04031 PFEM_hmdb_metabocards_blood NA blood +HMDB02358 Carnosic acid C20H28O4 332.19876 HMDB02358 PFEM_hmdb_metabocards_official NA NA +HMDB04031 11beta-Hydroxyprogesterone C20H28O4 332.19876 HMDB04031 PFEM_hmdb_metabocards_official NA NA +HMDB02358 Carnosic acid C20H28O4 332.198761 NA HMDB2010 NA NA +HMDB04031 11b-Hydroxyprogesterone C20H28O4 332.198761 NA HMDB2010 NA NA +C09067 Callicarpone C20H28O4 332.1988 NA KEGG NA NA +C09081 7beta,12alpha-Dihydroxykaurenolide C20H28O4 332.1988 NA KEGG NA NA +C09128 Marrubiin C20H28O4 332.1988 NA KEGG NA NA +C09177 Premarrubiin C20H28O4 332.1988 NA KEGG NA NA +C11853 Gibberellin A14 aldehyde C20H28O4 332.1988 NA KEGG NA NA +C11857 Gibberellin A12 C20H28O4 332.1988 NA KEGG NA NA +C11905 Gibberellin A53 aldehyde C20H28O4 332.1988 NA KEGG NA NA +C15068 17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate C20H28O4 332.1988 NA KEGG NA NA +C15459 13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5alpha-androstan- C20H28O4 332.1988 NA KEGG NA NA +C18175 5,6-Epoxy-18R-HEPE C20H28O4 332.1988 NA KEGG NA NA +MJ037133 Chimonanthine; meso-form, N-De-Me C21H24N4 332.200096 NA MeJP NA NA +MJ037134 Fortimicin AP; 4',5'-Didehydro C14H28N4O5 332.20597 NA MeJP NA NA +MJ037135 Fortimicin KF C14H28N4O5 332.20597 NA MeJP NA NA +MJ037136 Fortimicin KQ C14H28N4O5 332.20597 NA MeJP NA NA +PJ000349 SVK C14H28N4O5 332.206 NA PeJP NA NA +MJ037137 Benzastatin F; 16-Methoxy C19H28N2O3 332.209992 NA MeJP NA NA +MJ037138 Irolapride C19H28N2O3 332.209992 NA MeJP NA NA +C14488 21-Fluoroprogesterone C21H29FO2 332.2152 NA KEGG NA NA +C15127 6alpha-Fluoropregn-4-ene-3,20-dione C21H29FO2 332.2152 NA KEGG NA NA +C07052 Ipratropium C20H30NO3 332.2226 NA KEGG NA NA +MJ037139 Indopine C23H28N2 332.225248 NA MeJP NA NA +C04518 17alpha,20alpha-Dihydroxypregn-4-en-3-one C21H32O3 332.2351 NA KEGG NA NA +C05138 17alpha-Hydroxypregnenolone C21H32O3 332.2351 NA KEGG NA NA +C05485 21-Hydroxypregnenolone C21H32O3 332.2351 NA KEGG NA NA +C06390 16-alpha-Hydroxypregnenolone C21H32O3 332.2351 NA KEGG NA NA +C07393 Oxymetholone C21H32O3 332.2351 NA KEGG NA NA +C13803 Alphaxolone C21H32O3 332.2351 NA KEGG NA NA +C15011 11beta,17beta-Dihydroxy-6alpha,17-dimethylandrost-4-en-3-one C21H32O3 332.2351 NA KEGG NA NA +C15022 11alpha,17beta-Dihydroxy-2alpha,17-dimethylandrost-4-en-3-one C21H32O3 332.2351 NA KEGG NA NA +C15355 11alpha-Hydroxy-5beta-pregnane-3,20-dione C21H32O3 332.2351 NA KEGG NA NA +C15384 12alpha-Hydroxy-5beta-pregnane-3,20-dione C21H32O3 332.2351 NA KEGG NA NA +C15401 11beta,17beta-Dihydroxy-4,17-dimethylandrost-4-en-3-one C21H32O3 332.2351 NA KEGG NA NA +C15405 17beta-Carbomethoxyandrost-5-en-3beta-ol C21H32O3 332.2351 NA KEGG NA NA +C18038 7alpha-Hydroxypregnenolone C21H32O3 332.2351 NA KEGG NA NA +C18040 5alpha-Dihydrodeoxycorticosterone C21H32O3 332.2351 NA KEGG NA NA +HMDB00315 16-a-Hydroxypregnenolone C21H32O3 332.235138 NA HMDB2010 NA NA +HMDB00363 17a-Hydroxypregnenolone C21H32O3 332.235138 NA HMDB2010 NA NA +HMDB03851 3a,7a-Dihydroxy-5b-cholestanate C21H32O3 332.235138 NA HMDB2010 NA NA +HMDB04026 21-Hydroxypregnenolone C21H32O3 332.235138 NA HMDB2010 NA NA +HMDB11653 17-alpha,20-alpha-Dihydroxypregn-4-en-3-one C21H32O3 332.235138 NA HMDB2010 NA NA +HMDB00315 16-a-Hydroxypregnenolone C21H32O3 332.23514 http://www.hmdb.ca/metabolites/HMDB00315 PFEM_hmdb_metabocards_urine NA urine +HMDB04026 21-Hydroxypregnenolone C21H32O3 332.23514 http://www.hmdb.ca/metabolites/HMDB04026 PFEM_hmdb_metabocards_urine NA urine +HMDB00315 16-a-Hydroxypregnenolone C21H32O3 332.23514 http://www.hmdb.ca/metabolites/HMDB00315 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00363 17a-Hydroxypregnenolone C21H32O3 332.23514 http://www.hmdb.ca/metabolites/HMDB00363 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00315 16-a-Hydroxypregnenolone C21H32O3 332.23514 http://www.hmdb.ca/metabolites/HMDB00315 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04026 21-Hydroxypregnenolone C21H32O3 332.23514 http://www.hmdb.ca/metabolites/HMDB04026 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00315 16-a-Hydroxypregnenolone C21H32O3 332.23514 http://www.hmdb.ca/metabolites/HMDB00315 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04026 21-Hydroxypregnenolone C21H32O3 332.23514 http://www.hmdb.ca/metabolites/HMDB04026 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00315 16-a-Hydroxypregnenolone C21H32O3 332.23514 http://www.hmdb.ca/metabolites/HMDB00315 HMDB NA NA +HMDB00363 17a-Hydroxypregnenolone C21H32O3 332.23514 http://www.hmdb.ca/metabolites/HMDB00363 HMDB NA NA +HMDB03851 3alpha,7alpha-Dihydroxy-5beta-cholestanate C21H32O3 332.23514 http://www.hmdb.ca/metabolites/HMDB03851 HMDB NA NA +HMDB04026 21-Hydroxypregnenolone C21H32O3 332.23514 http://www.hmdb.ca/metabolites/HMDB04026 HMDB NA NA +HMDB00315 16-a-Hydroxypregnenolone C21H32O3 332.23514 http://www.hmdb.ca/metabolites/HMDB00315 PFEM_hmdb_metabocards_blood NA blood +HMDB00363 17a-Hydroxypregnenolone C21H32O3 332.23514 http://www.hmdb.ca/metabolites/HMDB00363 PFEM_hmdb_metabocards_blood NA blood +HMDB00315 16-a-Hydroxypregnenolone C21H32O3 332.23514 HMDB00315 PFEM_hmdb_metabocards_official NA NA +HMDB00363 17a-Hydroxypregnenolone C21H32O3 332.23514 HMDB00363 PFEM_hmdb_metabocards_official NA NA +HMDB03851 3alpha,7alpha-Dihydroxy-5beta-cholestanate C21H32O3 332.23514 HMDB03851 PFEM_hmdb_metabocards_official NA NA +HMDB04026 21-Hydroxypregnenolone C21H32O3 332.23514 HMDB04026 PFEM_hmdb_metabocards_official NA NA +MJ037140 1,3,5,10-Farnesatetraene-7,9-diol, 7-Me ether, 9-Angeloyl C21H32O3 332.235144 NA MeJP NA NA +MJ037141 1,3,5,10-Farnesatetraene-7,9-diol, 7-Me ether, 9-angeloyl C21H32O3 332.235144 NA MeJP NA NA +MJ037142 1,6,9,12,15,18-Heneicosahexaene, 6,7:12,13:15,16-Triepoxide C21H32O3 332.235144 NA MeJP NA NA +MJ037143 12-Hydroxy-5,8,10,14,17-eicosapentaenoic acid, Me ester C21H32O3 332.235144 NA MeJP NA NA +MJ037144 13-Ethyl-4,17-dihydroxy-18,19-dinorpregn-4-en-3-one C21H32O3 332.235144 NA MeJP NA NA +MJ037145 14,15-Epoxy-8(17),12-labdadien-16-oic acid, Me ester C21H32O3 332.235144 NA MeJP NA NA +MJ037146 14-(3-Furanyl)-3,7,11-trimethyl-7,11-tetradecadienoic acid C21H32O3 332.235144 NA MeJP NA NA +MJ037147 15,20-Dihydroxypregn-4-en-3-one C21H32O3 332.235144 NA MeJP NA NA +MJ037148 15-Hydroxypregnane-3,20-dione C21H32O3 332.235144 NA MeJP NA NA +MJ037149 16-Hydroxy-11-kauren-19-oic acid, Me ester C21H32O3 332.235144 NA MeJP NA NA +MJ037150 16-Hydroxy-3,13-clerodadien-15,16-olide, Me ether C21H32O3 332.235144 NA MeJP NA NA +MJ037151 16-Hydroxypregnane-3,20-dione C21H32O3 332.235144 NA MeJP NA NA +MJ037152 17,18-Epoxy-1(19),7,10,12-xenicatetraene-6,14,17-triol, 14-Deoxy, 17-Me ether C21H32O3 332.235144 NA MeJP NA NA +MJ037153 17,18:18,19-Diepoxy-1(9),6,13-xenicatrien-19-ol; Me ether C21H32O3 332.235144 NA MeJP NA NA +MJ037154 17,19-Kauranediol, 17-Carboxylic acid, 19-aldehyde, Me ester C21H32O3 332.235144 NA MeJP NA NA +MJ037155 17,20-Dihydroxypregn-4-en-3-one C21H32O3 332.235144 NA MeJP NA NA +MJ037156 2,16-Dihydroxy-8(17),13-labdadien-15-oic acid, 15?16-Lactone, 2-Me ether C21H32O3 332.235144 NA MeJP NA NA +MJ037157 2,3-Dihydroxypregn-17(20)-en-16-one C21H32O3 332.235144 NA MeJP NA NA +MJ037158 3,16-Dihydroxypregn-5-en-20-one C21H32O3 332.235144 NA MeJP NA NA +MJ037159 3,21-Dihydroxypregn-4-en-20-one; 3?-form C21H32O3 332.235144 NA MeJP NA NA +MJ037160 3,21-Dihydroxypregn-5-en-20-one C21H32O3 332.235144 NA MeJP NA NA +MJ037161 3,4-Dihydroxypregn-17(20)-en-16-one C21H32O3 332.235144 NA MeJP NA NA +MJ037162 3,4;15,16-Diepoxy-13(16),14-clerodadien-2-ol, Me ether C21H32O3 332.235144 NA MeJP NA NA +MJ037163 3,5-Dihydroxypregn-20-en-6-one C21H32O3 332.235144 NA MeJP NA NA +MJ037164 3,6-Dihydroxypregn-9(11)-en-20-one C21H32O3 332.235144 NA MeJP NA NA +MJ037165 3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 7',8',10',11'-Tetradehydro(Z,Z-) C21H32O3 332.235144 NA MeJP NA NA +MJ037166 3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 15',15',16',16'-Tetradehydro C21H32O3 332.235144 NA MeJP NA NA +MJ037167 3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 7',8',10',11'-Tetradehydro(Z,Z-) C21H32O3 332.235144 NA MeJP NA NA +MJ037168 3-Hydroxy-20-oxopregnan-21-al C21H32O3 332.235144 NA MeJP NA NA +MJ037169 3-Hydroxypregnane-11,20-dione C21H32O3 332.235144 NA MeJP NA NA +MJ037170 3-Hydroxypregnane-2,16-dione C21H32O3 332.235144 NA MeJP NA NA +MJ037171 4,18-Epoxy-4,5-seco-8,11,13-icetexatriene-12,19-diol; 12-Me ether C21H32O3 332.235144 NA MeJP NA NA +MJ037172 4-Hydroxy-6-pentadecyl-2H-pyran-2-one; 9',10',11',12'-Tetradehydro, Me ether C21H32O3 332.235144 NA MeJP NA NA +MJ037173 8,11,13-Abietatriene-3,14,19-triol, 14-Me ether C21H32O3 332.235144 NA MeJP NA NA +MJ037174 8,11,13-Abietatriene-7,11,12-triol, 12-Me ether C21H32O3 332.235144 NA MeJP NA NA +MJ037175 8,11,13-Abietatriene-7,11,12-triol; 7?-form, 12-Me ether C21H32O3 332.235144 NA MeJP NA NA +MJ037176 8,11,13-Icetexatriene-10,12-diol; 10?-form, 11-Hydroxy, 12-Me ether C21H32O3 332.235144 NA MeJP NA NA +MJ037177 8,11,13-Icetexatriene-10,12-diol; 10?-form, 11-Methoxy C21H32O3 332.235144 NA MeJP NA NA +MJ037178 8,11,13-Sphaeroatriene-2,13,18-triol, 13-Me ether C21H32O3 332.235144 NA MeJP NA NA +MJ037179 9-Hydroxy-16-kauren-19-oic acid; ent-form, Me ester C21H32O3 332.235144 NA MeJP NA NA +MJ037180 Anhydroholantogenin C21H32O3 332.235144 NA MeJP NA NA +MJ037181 Dendrinolide C21H32O3 332.235144 NA MeJP NA NA +MJ037182 Diemenensin A C21H32O3 332.235144 NA MeJP NA NA +MJ037183 Fulvanin 2 C21H32O3 332.235144 NA MeJP NA NA +MJ037184 Gracilin A; 16-Deacetoxy C21H32O3 332.235144 NA MeJP NA NA +MJ037185 Incisterol C21H32O3 332.235144 NA MeJP NA NA +MJ037186 Oxymetholone C21H32O3 332.235144 NA MeJP NA NA +MJ037187 Yahazunol C21H32O3 332.235144 NA MeJP NA NA +MJ037188 17alpha,20alpha-Dihydroxypregn-4-en-3-one C21H32O3 332.235144 NA MeJP NA NA +MJ037189 17alpha-Hydroxypregnenolone C21H32O3 332.235144 NA MeJP NA NA +MJ037190 21-Hydroxypregnenolone C21H32O3 332.235144 NA MeJP NA NA +MetaCyc02925 17-α,20-α-dihydroxypregn-4-en-3-one [] C21H32O3 332.235145 652-69-7 metacyc NA NA +MJ037191 Antibiotic KA 6606IX; 1-Epimer, 1-Me C15H32N4O4 332.242355 NA MeJP NA NA +MJ037192 Antibiotic KA 6606IX; 1-Me C15H32N4O4 332.242355 NA MeJP NA NA +MJ037193 Antibiotic KA 6606IX; 6-Epimer, 1-Me C15H32N4O4 332.242355 NA MeJP NA NA +MJ037194 Istamycin A; 1-Epimer, N-de(aminoacetyl) C15H32N4O4 332.242355 NA MeJP NA NA +MJ037195 Istamycin A; N-De(aminoacetyl) C15H32N4O4 332.242355 NA MeJP NA NA +MJ037196 Sannamycin C C15H32N4O4 332.242355 NA MeJP NA NA +MJ037197 Sporaricin B C15H32N4O4 332.242355 NA MeJP NA NA +MJ037198 Sporaricin E C15H32N4O4 332.242355 NA MeJP NA NA +C17711 Sannamycin B C15H32N4O4 332.2424 NA KEGG NA NA +C17990 Istamycin B0 C15H32N4O4 332.2424 NA KEGG NA NA +MJ037199 Joubertiamine, 2,3-Dihydro, N,N-(dimethylamino)ethyl ether C20H32N2O2 332.246378 NA MeJP NA NA +MJ037200 Sollasin B C20H32N2O2 332.246378 NA MeJP NA NA +MJ037201 9,10,13-Trihydroxyoctadecanoic acid C18H36O5 332.256274 NA MeJP NA NA +MJ037202 9,10,18-Trihydroxyoctadecanoic acid C18H36O5 332.256274 NA MeJP NA NA +MetaCyc02926 9,10,18-trihydroxystearate [] C18H36O5 332.256274 NA metacyc NA NA +MJ037203 Protoverbine C19H32N4O 332.257611 NA MeJP NA NA +C15373 5alpha-Androstan-17beta-ol propionate C22H36O2 332.2715 NA KEGG NA NA +C16527 7,10,13,16-Docosatetraenoic acid C22H36O2 332.2715 NA KEGG NA NA +HMDB02226 Adrenic acid C22H36O2 332.27151 http://www.hmdb.ca/metabolites/HMDB02226 HMDB NA NA +HMDB02226 Adrenic acid C22H36O2 332.27151 HMDB02226 PFEM_hmdb_metabocards_official NA NA +HMDB02226 Adrenic acid C22H36O2 332.271515 NA HMDB2010 NA NA +MJ037204 1,3,7-Cembratrien-11-ol, Ac C22H36O2 332.27153 NA MeJP NA NA +MJ037205 1-(4-Hydroxyphenyl)-5-hexadecanone C22H36O2 332.27153 NA MeJP NA NA +MJ037206 1-Phenyl-1,3-hexadecanedione; 1-Alcohol C22H36O2 332.27153 NA MeJP NA NA +MJ037207 1-Phenyl-1,3-hexadecanedione; 3-Alcohol C22H36O2 332.27153 NA MeJP NA NA +MJ037208 2-Methyl-5-(8,11,14-pentadecatrienyl)-1,3-benzenediol, 11,12,14,15-Tetrahydro C22H36O2 332.27153 NA MeJP NA NA +MJ037209 2-Methyl-5-(8-tridecenyl)-1,3-benzenediol, Di-Me ether C22H36O2 332.27153 NA MeJP NA NA +MJ037210 3,7,11-Cembratrien-15-ol, Ac C22H36O2 332.27153 NA MeJP NA NA +MJ037211 3,7-Dolabelladien-18-ol, ?2Isomer, Ac C22H36O2 332.27153 NA MeJP NA NA +MJ037212 5-Pentadecyl-1,3-benzenediol; 10',11'Z-Didehydro, mono-Me ether C22H36O2 332.27153 NA MeJP NA NA +MJ037213 7,10,13,16-Docosatetraenoic acid C22H36O2 332.27153 NA MeJP NA NA +MJ037214 7,13-Labdadien-15-ol, Ac C22H36O2 332.27153 NA MeJP NA NA +MJ037215 8,13-Labdadien-15-ol, Ac C22H36O2 332.27153 NA MeJP NA NA +MJ037216 Dilophol; Ac C22H36O2 332.27153 NA MeJP NA NA +MJ037217 Ganaxolone C22H36O2 332.27153 NA MeJP NA NA +MJ037218 Magydartrienol; Ac C22H36O2 332.27153 NA MeJP NA NA +MJ037219 Trixagol; Ac C22H36O2 332.27153 NA MeJP NA NA +MJ037220 3,20-Diaminopregn-5-en-15-ol C21H36N2O 332.282763 NA MeJP NA NA +MJ037221 3,20-Diaminopregn-5-en-18-ol C21H36N2O 332.282763 NA MeJP NA NA +MJ037222 Cribrochalinamine oxide A C21H36N2O 332.282763 NA MeJP NA NA +MJ037223 Xestamine B C21H36N2O 332.282763 NA MeJP NA NA +MJ037224 21-Methyl-4,15-docosadien-1-yn-3-ol C23H40O 332.307915 NA MeJP NA NA +MJ037225 3-Heptadecylphenol C23H40O 332.307915 NA MeJP NA NA +MJ037226 1,7,13-Tetracosatriene C24H44 332.344301 NA MeJP NA NA +MJ037227 3,6,9-Tetracosatriene C24H44 332.344301 NA MeJP NA NA +2656 synthetic fr, of human beta-CN (161-166) ACE inhibitor VLPIPQ 332.699 MH2+ Inhouse_peptide NA peptide +MJ037228 Oxo[N,N'-1,3-propanediylbis[2-mercaptoacetamidato](4-)-N,N',S,S']technetate(1-) C7H10N2O3S2Tc(-) 332.928324 NA MeJP NA NA +MJ037229 [1,9-Dimercapto-2,6-dioxo-3,7-diazanonanato]oxotechnetate(V)(1-) C7H10N2O3S2Tc(-) 332.928324 NA MeJP NA NA +MJ037230 Diamminedichlorodihydroxyplatinum(IV) Cl2H8N2O2Pt 332.961057 NA MeJP NA NA +MJ037231 Antibiotic TAN 876B C13H10Cl3NO3 332.972626 NA MeJP NA NA +MJ037232 Bromfenac C15H12BrNO3 333.000055 NA MeJP NA NA +MJ037233 Aplysinopsin; 6-Bromo, 3'-deimino, 3'-oxo C14H12BrN3O2 333.011289 NA MeJP NA NA +C08404 Glucocapparin C8H15NO9S2 333.0188 NA KEGG NA NA +MJ037234 Methyl glucosinolate C8H15NO9S2 333.018822 NA MeJP NA NA +MJ037235 8-Chloro-3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f]-1,2-benzisoxazole-6-carboxylic acid C16H9ClFNO4 333.020413 NA MeJP NA NA +MJ037236 Aeruginosin B C14H11N3O5S 333.041941 NA MeJP NA NA +MJ037237 Benclonidine C16H13Cl2N3O 333.043567 NA MeJP NA NA +C10932 Carpropamid C15H18Cl3NO 333.0454 NA KEGG NA NA +MJ037238 Robenidine C15H13Cl2N5 333.0548 NA MeJP NA NA +C14951 3-[(2-Chlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one C20H12ClNO2 333.0557 NA KEGG NA NA +MJ037239 Lettowianthine; 11-Hydroxy C19H11NO5 333.063722 NA MeJP NA NA +MJ037240 Bromodiphenhydramine C17H20BrNO 333.072826 NA MeJP NA NA +MJ037241 Meglitinide C17H16ClNO4 333.076785 NA MeJP NA NA +MJ037242 Reticulidin A; 7-Deoxy, 1'Z-isomer C16H22Cl3N 333.081782 NA MeJP NA NA +CJneg0533 N2-methylguanosine [(M+Cl)]- C11H15ClN5O5 333.084525 C18rt(min)=4.52 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0533 N2-methylguanosine [(M+Cl)]- C11H15ClN5O5 333.084525 C18rt(min)=4.52 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MetaCyc02927 penicillin G [benzylpenicillin;] C16H17N2O4S1 333.090903 NA metacyc NA NA +PJ000350 PCD C12H19N3O6S 333.0995 NA PeJP NA NA +C05191 Dihydrosanguinarine C20H15NO4 333.1001 NA KEGG NA NA +C05192 10-Hydroxydihydrochelirubine C20H15NO4 333.1001 NA KEGG NA NA +C12226 Norchelerythrine C20H15NO4 333.1001 NA KEGG NA NA +MJ037243 Bisoxatin C20H15NO4 333.100107 NA MeJP NA NA +MJ037244 Dihydroavicine C20H15NO4 333.100107 NA MeJP NA NA +MJ037245 Dihydrosanguinarine C20H15NO4 333.100107 NA MeJP NA NA +MJ037246 N-Norchelerythrine C20H15NO4 333.100107 NA MeJP NA NA +MJ037247 N-Nornitidine C20H15NO4 333.100107 NA MeJP NA NA +MJ037248 Telisatin A C20H15NO4 333.100107 NA MeJP NA NA +MJ037249 Dihydrosanguinarine C20H15NO4 333.100108 NA MeJP NA NA +MJ037250 Chelerythrine; 10-O-De-Me C20H16NO4(+) 333.100108 NA MeJP NA NA +MJ037251 Chelerythrine; 9-O-De-Me C20H16NO4(+) 333.100108 NA MeJP NA NA +MJ037252 Corysamine C20H16NO4(+) 333.100108 NA MeJP NA NA +MJ037253 Worenine C20H16NO4(+) 333.100108 NA MeJP NA NA +MetaCyc02928 sanguinarine [] C20H15N1O4 333.100108 2447-54-3 metacyc NA NA +MetaCyc02929 dihydrosanguinarine [13, 14-dihydro-13-methyl-[1, 3]benzodioxolo[5, 6-c]-1, 3-dioxolo[4, 5-i]phenanthridine;] C20H15N1O4 333.100108 3606-45-9 metacyc NA NA +MJ037254 Andolast C15H11N9O 333.108656 NA MeJP NA NA +MJ037255 Euxylophoricine F C19H15N3O3 333.111341 NA MeJP NA NA +PJ000351 GEE C12H19N3O8 333.1172 NA PeJP NA NA +7838 ACE inhibitor EW 333.121 immunomodulating Inhouse_peptide NA peptide +MJ037256 Crinamidine, 6?-Hydroxy C17H19NO6 333.121237 NA MeJP NA NA +MJ037257 Crinamidine, 6?-Hydroxy C17H19NO6 333.121237 NA MeJP NA NA +MJ037258 Lunidonine; 3'-Hydroxy C17H19NO6 333.121237 NA MeJP NA NA +MJ037259 Rohitukine; N-De-Me, O3'-Ac C17H19NO6 333.121237 NA MeJP NA NA +MJ037260 Ungminorine, N-Oxide(?-) C17H19NO6 333.121237 NA MeJP NA NA +MJ037261 Pirimiphos-ethyl, ANSI C13H24N3O3PS 333.127598 NA MeJP NA NA +PJ000352 SNN C11H19N5O7 333.1285 NA PeJP NA NA +MJ037262 N-?-Glutamyltryptophan C16H19N3O5 333.13247 NA MeJP NA NA +PJ000353 EW C16H19N3O5 333.1325 NA PeJP NA NA +PJ000354 SPM C13H23N3O5S 333.1359 NA PeJP NA NA +C11341 N-Acetylphenylalanine beta-naphthyl ester C21H19NO3 333.1365 NA KEGG NA NA +MJ037263 Ciglitazone C18H23NO3S 333.139864 NA MeJP NA NA +MJ037264 6-[[2-(Dimethylamino)ethyl]amino]-3-hydroxy-7H-indeno[2,1-c]quinolin-7-one C20H19N3O2 333.147726 NA MeJP NA NA +MJ037265 Angustoline, 3,14-Dihydro C20H19N3O2 333.147726 NA MeJP NA NA +MJ037266 Phenylalanyltryptophan anhydride C20H19N3O2 333.147726 NA MeJP NA NA +MJ037267 Tilivalline C20H19N3O2 333.147726 NA MeJP NA NA +MJ037268 Norfloxacin; N4-Me C17H20FN3O3 333.148869 NA MeJP NA NA +PJ000355 SVE C13H23N3O7 333.1536 NA PeJP NA NA +MJ037269 Tropatepine C22H23NS 333.15512 NA MeJP NA NA +3393 ACE inhibitor FAP 333.157 celiac toxic Inhouse_peptide NA peptide +3573 NA AFP 333.157 ACE inhibitor Inhouse_peptide NA peptide +C10391 Seneciphylline C18H23NO5 333.1576 NA KEGG NA NA +C12184 Narcissidine C18H23NO5 333.1576 NA KEGG NA NA +MJ037270 6-Hydroxy-4,8-dimethylquinoline; O-(2,4-Di-O-methyl-?-D-xylopyranoside) C18H23NO5 333.157622 NA MeJP NA NA +MJ037271 Ambelline; Dihydro C18H23NO5 333.157622 NA MeJP NA NA +MJ037272 Convolvine; N-Ac C18H23NO5 333.157622 NA MeJP NA NA +MJ037273 Coruscine C18H23NO5 333.157622 NA MeJP NA NA +MJ037274 Edulinine, 2'-Ac C18H23NO5 333.157622 NA MeJP NA NA +MJ037275 Egonine C18H23NO5 333.157622 NA MeJP NA NA +MJ037276 Erysopitine; 11-Hydroxy, O15-Me C18H23NO5 333.157622 NA MeJP NA NA +MJ037277 Excentricine C18H23NO5 333.157622 NA MeJP NA NA +MJ037278 Galanthamidine C18H23NO5 333.157622 NA MeJP NA NA +MJ037279 Galanthine; 3,3a?-Epoxide C18H23NO5 333.157622 NA MeJP NA NA +MJ037280 Galanthusine C18H23NO5 333.157622 NA MeJP NA NA +MJ037281 Graminifoline C18H23NO5 333.157622 NA MeJP NA NA +MJ037282 Isosinococuline C18H23NO5 333.157622 NA MeJP NA NA +MJ037283 Limalongine C18H23NO5 333.157622 NA MeJP NA NA +MJ037284 Narcissidine C18H23NO5 333.157622 NA MeJP NA NA +MJ037285 Pentoprilat; 1-Et ester C18H23NO5 333.157622 NA MeJP NA NA +MJ037286 Preskimmianine; ?3',4'-Isomer,2'?-hydroxy C18H23NO5 333.157622 NA MeJP NA NA +MJ037287 Ptelefoline C18H23NO5 333.157622 NA MeJP NA NA +MJ037288 Senecio borysthenicus Alkaloid C18H23NO5 333.157622 NA MeJP NA NA +MJ037289 Seneciphylline C18H23NO5 333.157622 NA MeJP NA NA +MJ037290 Sinococuline C18H23NO5 333.157622 NA MeJP NA NA +MJ037291 Stephaboline C18H23NO5 333.157622 NA MeJP NA NA +MJ037292 Vallopurfine C18H23NO5 333.157622 NA MeJP NA NA +MJ037293 7,8-Dimethoxyplatydesmine; (S)-(?)-config.-form, N-Me C18H24NO5(+) 333.157622 NA MeJP NA NA +C11126 Tebufenpyrad C18H24ClN3O 333.1608 NA KEGG NA NA +MJ037294 Primidolol C17H23N3O4 333.168856 NA MeJP NA NA +C11774 Primidolol C17H23N3O4 333.1689 NA KEGG NA NA +PJ000356 APF C17H23N3O4 333.1689 NA PeJP NA NA +PJ000357 ALM C14H27N3O4S 333.1722 NA PeJP NA NA +MJ037295 Enpromate C22H23NO2 333.172878 NA MeJP NA NA +C15458 (alphaS,betaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2- C22H23NO2 333.1729 NA KEGG NA NA +7644 ACE inhibitor from porcine myosin (306-308) ITT 333.178 antioxidative Inhouse_peptide NA peptide +14 Myosin ITT 333.179 celiac toxic Inhouse_peptide NA peptide +MJ037296 5-Methoxytryptamine; Nb-(1H-Indol-3-ylmethyl), Nb-Me C21H23N3O 333.184112 NA MeJP NA NA +PJ000358 TTL C14H27N3O6 333.19 NA PeJP NA NA +C14166 alpha-Eucaine C19H27NO4 333.194 NA KEGG NA NA +MJ037297 4-[2-(Acetylmethylamino)ethyl]-4-(4-hydroxy-3-methoxyphenyl)-2,4-cyclohexadien-1-one; 2,3,5,6-Tetrahydro, Me ether C19H27NO4 333.194008 NA MeJP NA NA +MJ037298 Cinoctramide C19H27NO4 333.194008 NA MeJP NA NA +MJ037299 Convolvine; N-Isopropyl C19H27NO4 333.194008 NA MeJP NA NA +MJ037300 Drotebanol C19H27NO4 333.194008 NA MeJP NA NA +MJ037301 Nolomirole C19H27NO4 333.194008 NA MeJP NA NA +MJ037302 Oreobeiline C19H27NO4 333.194008 NA MeJP NA NA +MJ037303 Roehybrine; ?-Alcohol C19H27NO4 333.194008 NA MeJP NA NA +MJ037304 Trigamine; N-Oxide C19H27NO4 333.194008 NA MeJP NA NA +MJ037305 Virantmycin; 3-Dechloro, 3?-hydroxy C19H27NO4 333.194008 NA MeJP NA NA +MJ037306 Methylchloroquine C19H28ClN3 333.197175 NA MeJP NA NA +MJ037307 Deptropine C23H27NO 333.209264 NA MeJP NA NA +MJ037308 Eustifoline C C23H27NO 333.209264 NA MeJP NA NA +MJ037309 Exozoline C23H27NO 333.209264 NA MeJP NA NA +MJ037310 Mahanimbilol C23H27NO 333.209264 NA MeJP NA NA +MJ037311 Histaprodifen; N,N-Di-Me C22H27N3 333.220497 NA MeJP NA NA +MJ037312 Carbetapentane C20H31NO3 333.230393 NA MeJP NA NA +MJ037313 1-Cyclohexyl-1-(4-fluorophenyl)-4-(1-piperidinyl)-1-butanol C21H32FNO 333.246792 NA MeJP NA NA +MJ037314 3-Amino-12-hydroxypregnan-20-one C21H35NO2 333.266779 NA MeJP NA NA +MJ037315 3-Amino-14-hydroxypregnan-20-one C21H35NO2 333.266779 NA MeJP NA NA +MJ037316 Antibiotic JM 971C; N-Me C21H35NO2 333.266779 NA MeJP NA NA +MJ037317 2,4,12-Octadecatrienoic acid, 2-Methylpropylamide C22H39NO 333.303164 NA MeJP NA NA +MJ037318 20-Aminopregnan-3-ol, N-Me C22H39NO 333.303164 NA MeJP NA NA +MJ037319 5-Alkyl-1H-pyrrole-2-carboxaldehydes; 5-Heptadecyl-1H-pyrrole-2-carboxaldehyde C22H39NO 333.303164 NA MeJP NA NA +MJ037320 Pyrrolidine; N-(3,6-Octadecadienoyl) C22H39NO 333.303164 NA MeJP NA NA +8141 synthetic peptide FYPEL 333.6545 MH2+ Inhouse_peptide NA peptide +3363 NA GPAGAPGAA 333.6575 MH2+ Inhouse_peptide NA peptide +3811 NA PHCKRM 333.6727 MH2+ Inhouse_peptide NA peptide +MJ037321 1-Bromo-4,6,8-trichloro-3,7-dimethyl-3,7-octadien-2-ol C10H14BrCl3O 333.92936 NA MeJP NA NA +C17103 Costatol C10H14BrCl3O 333.9294 NA KEGG NA NA +MJ037322 2-Methyl-1,4-naphthalenediol; Bis(dihydrogen phosphate) C11H12O8P2 334.00074 NA MeJP NA NA +MJ037323 4,7-Dialkyl-1,2,3,5,6-pentathiepanes; 4-Benzyl-7-(2-methylpropyl)-1,2,3,5,6-pentathiepane C13H18S5 334.001204 NA MeJP NA NA +MJ037324 5-Chloro-3-(phenylthio)-1H-indole-2-carboxamide; S,S-Dioxide C15H11ClN2O3S 334.01789 NA MeJP NA NA +MJ037325 1-Chloro-2,4,5-trihydroxy-7-hydroxymethylanthraquinone; 5-Me ether C16H11ClO6 334.024415 NA MeJP NA NA +MJ037326 2-Chloro-1,3,8-trihydroxy-6-hydroxymethylanthraquinone; 8-Me ether C16H11ClO6 334.024415 NA MeJP NA NA +MJ037327 Lormetazepam C16H12Cl2N2O2 334.027583 NA MeJP NA NA +MJ037328 Chloroquinoxaline sulfonamide C14H11ClN4O2S 334.029124 NA MeJP NA NA +MJ037329 2-Ferrocenoylbenzoic acid C18H14FeO3 334.029236 NA MeJP NA NA +FL5FELNS0002 3,5,6,7,2',3',4'-Heptahydroxyflavone C15H10O9 334.03248 72947-67-2 knapsack NA NA +FL5FFGNS0001 Hibiscetin C15H10O9 334.03248 577-24-2 knapsack NA NA +FL5FGCNS0001 8-Hydroxyquercetagetin C15H10O9 334.03248 87926-83-8 knapsack NA NA +MJ037330 2',3,3',4',5,6,7-Heptahydroxyflavone C15H10O9 334.032481 NA MeJP NA NA +MJ037331 3,3',4',5,6,7,8-Heptahydroxyflavone C15H10O9 334.032481 NA MeJP NA NA +MJ037332 Chiodectonic acid C15H10O9 334.032481 NA MeJP NA NA +MJ037333 4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol; Di-Ac C16H14O4S2 334.03335 NA MeJP NA NA +MetaCyc02930 5-(3,4-diacetoxybut-1-ynyl)-2,2'-bithiophene [] C16H14O4S2 334.03335 NA metacyc NA NA +C04606 5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene C16H14O4S2 334.0334 NA KEGG NA NA +MJ037334 Salacinol C9H18O9S2 334.039223 NA MeJP NA NA +MJ037335 Aplysinopsin; 6-Bromo, 1',8-dihydro C14H15BrN4O 334.042923 NA MeJP NA NA +FLIFWXNF0001 Dehydrodolineone;6a,13a-Didehydrodolineone C19H10O6 334.04773 28570-72-1 knapsack NA NA +MJ037336 Dolineone; 6a,13a-Didehydro C19H10O6 334.047738 NA MeJP NA NA +MJ037337 Chloroethylclonidine C13H17Cl3N4 334.051879 NA MeJP NA NA +C00455 Nicotinamide D-ribonucleotide C11H15N2O8P 334.0566 NA KEGG NA NA +MJ037338 Nicotinamide D-ribonucleotide C11H15N2O8P 334.056602 NA MeJP NA NA +HMDB00229 Nicotinamide ribotide C11H15N2O8P 334.05661 http://www.hmdb.ca/metabolites/HMDB00229 PFEM_hmdb_metabocards_urine NA urine +HMDB00229 Nicotinamide ribotide C11H15N2O8P 334.05661 http://www.hmdb.ca/metabolites/HMDB00229 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00229 Nicotinamide ribotide C11H15N2O8P 334.05661 http://www.hmdb.ca/metabolites/HMDB00229 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00229 Nicotinamide ribotide C11H15N2O8P 334.05661 http://www.hmdb.ca/metabolites/HMDB00229 HMDB NA NA +HMDB00229 Nicotinamide ribotide C11H15N2O8P 334.05661 HMDB00229 PFEM_hmdb_metabocards_official NA NA +HMDB00229 Nicotinamide ribotide C11H15N2O8P 334.05661 NA HMDB2010 NA NA +MJ037339 Tuclazepam C17H16Cl2N2O 334.063968 NA MeJP NA NA +HMDB11649 1-(sn-Glycero-3-phospho)-1D-myo-inositol C9H19O11P 334.066498 NA HMDB2010 NA NA +MetaCyc02931 2-(α-D-galactosyl)-sn-glycerol 3-phosphate [] C9H19O11P1 334.066498 NA metacyc NA NA +MetaCyc02932 α-D-galactosyl-(1,1')-sn-glycerol 3-phosphate [] C9H19O11P1 334.066498 NA metacyc NA NA +MetaCyc02933 2-(β-D-glucosyl)-sn-glycerol-3-phosphate [] C9H19O11P1 334.066498 NA metacyc NA NA +MetaCyc02934 sn-glycero-3-phospho-1-inositol [1-(sn-glycero-3-phospho)-1D-myo-inositol;] C9H19O11P1 334.066498 NA metacyc NA NA +C01225 sn-glycero-3-Phospho-1-inositol C9H19O11P 334.0665 NA KEGG NA NA +C04641 2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate C9H19O11P 334.0665 NA KEGG NA NA +C04703 alpha-D-Galactosyl-(1,1')-sn-glycerol 3-phosphate C9H19O11P 334.0665 NA KEGG NA NA +C10517 2-(beta-D-Glucosyl)-sn-glycerol 3-phosphate C9H19O11P 334.0665 NA KEGG NA NA +MJ037340 2'-Deoxyinosine 5'-phosphate C10H15N4O7P 334.067835 NA MeJP NA NA +MJ037341 Arborescidine C C16H19BrN2O 334.068075 NA MeJP NA NA +FL1BAJNS0001 Amaronol B;(-)-2-[(3,5-Dihydroxy-4-methoxyphenyl)methyl]-2,4,6-trihydroxy-3(2H)-benzofuranone C16H14O8 334.06886 226561-02-0 knapsack NA NA +FL4DACNM0003 3,5,7,3',4'-Pentahydroxy- 6'-hydroxymethylflavanone C16H14O8 334.06886 197247-00-0 knapsack NA NA +FL4DAGNM0001 Cedrin C16H14O8 334.06886 75513-81-4 knapsack NA NA +FL4DAHNS0001 Hovenitin I;(2R,3R)-3,5,7,4',5'-Pentahydroxy-3'-methoxyflavanone C16H14O8 334.06886 71106-82-6 knapsack NA NA +FL4DAHNS0002 Hovenitin II;(2R,3S)-3,5,7,4',5'-Pentahydroxy-3'-methoxyflavanone C16H14O8 334.06886 188838-86-0 knapsack NA NA +FL4DAJNS0001 Pallasiin C16H14O8 334.06886 88126-46-9 knapsack NA NA +FL4DE8NS0001 Diosalol;(2R,3R)-3,5,7,2',5'-Pentahydroxy-6-methoxyflavanone C16H14O8 334.06886 253786-85-5 knapsack NA NA +MJ037342 1,2,3,4,6,8-Hexahydroxyxanthone; 2,4,6-Tri-Me ether C16H14O8 334.068867 NA MeJP NA NA +MJ037343 2',3,5,5',6,7-Hexahydroxyflavanone, 6-Me ether C16H14O8 334.068867 NA MeJP NA NA +MJ037344 3,3',4',5,5',7-Hexahydroxy-6-methylflavanone C16H14O8 334.068867 NA MeJP NA NA +MJ037345 3,3',4',5,5',7-Hexahydroxyflavanone, 3'-Me ether C16H14O8 334.068867 NA MeJP NA NA +MJ037346 3,3',4',5,5',7-Hexahydroxyflavanone, 4'-Me ether C16H14O8 334.068867 NA MeJP NA NA +MJ037347 3,3',4',5,5',7-Hexahydroxyflavanone, 3'-Me ether C16H14O8 334.068867 NA MeJP NA NA +MJ037348 3,3',4',5,6,7-Hexahydroxyflavanone, 6-Me ether C16H14O8 334.068867 NA MeJP NA NA +MJ037349 3,4',5,5',7-Pentahydroxy-2'-hydroxymethylflavanone C16H14O8 334.068867 NA MeJP NA NA +MJ037350 Amaronol A; 4'-Me ether C16H14O8 334.068867 NA MeJP NA NA +MJ037351 Barceloneic acid A; 1'-Carboxylic acid C16H14O8 334.068867 NA MeJP NA NA +MJ037352 Diploschistesic acid C16H14O8 334.068867 NA MeJP NA NA +MJ037353 Lapidosin C16H14O8 334.068867 NA MeJP NA NA +MJ037354 Osoic acid; 3-Me ether C16H14O8 334.068867 NA MeJP NA NA +MJ037355 Papulosic acid C16H14O8 334.068867 NA MeJP NA NA +MJ037356 Xanthotoxol; O-?-L-Arabinopyranoside C16H14O8 334.068867 NA MeJP NA NA +C09770 6-Methoxytaxifolin C16H14O8 334.0689 NA KEGG NA NA +MJ037357 4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol; 1-O-(3-Methylbutanoyl) C17H18O3S2 334.069735 NA MeJP NA NA +MJ037358 4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol; 2-O-(3-Methylbutanoyl) C17H18O3S2 334.069735 NA MeJP NA NA +MJ037359 10-Bromo-2-chloro-7(14)-chamigren-3-ol C15H24BrClO 334.069905 NA MeJP NA NA +MJ037360 10-Bromo-2-chloro-7-chamigren-3-ol C15H24BrClO 334.069905 NA MeJP NA NA +MJ037361 3,10-Dibromo-2-chloro-7(14)-chamigren-9-ol; 10-Debromo C15H24BrClO 334.069905 NA MeJP NA NA +MJ037362 Puertitol A C15H24BrClO 334.069905 NA MeJP NA NA +MJ037363 Puertitol B C15H24BrClO 334.069905 NA MeJP NA NA +C12400 19-Hydroxy-8-O-methyltetrangulol C20H14O5 334.0841 NA KEGG NA NA +FLIE1ANP0002 Sophoracoumestan A C20H14O5 334.08412 77369-93-8 knapsack NA NA +MJ037364 1,8-Dihydroxy-3-methylbenz[a]anthracene-7,12-dione; 1'-Hydroxy, 8-Me ether C20H14O5 334.084123 NA MeJP NA NA +MJ037365 Cladospirone F C20H14O5 334.084123 NA MeJP NA NA +MJ037366 Fluorescin C20H14O5 334.084123 NA MeJP NA NA +MJ037367 Halenaquinol C20H14O5 334.084123 NA MeJP NA NA +MJ037368 Isosalvipuberulin C20H14O5 334.084123 NA MeJP NA NA +MJ037369 Palmarumycin CP1; 2?,3?-Epoxide, 4?-alcohol C20H14O5 334.084123 NA MeJP NA NA +MJ037370 Palmarumycin CP1; 2?,3?-Epoxide, 4?-alcohol C20H14O5 334.084123 NA MeJP NA NA +MJ037371 Palmarumycin CP1; 2?,3?-Epoxide, 4?-alcohol C20H14O5 334.084123 NA MeJP NA NA +MJ037372 Palmarumycin CP3 C20H14O5 334.084123 NA MeJP NA NA +MJ037373 Plicadin C20H14O5 334.084123 NA MeJP NA NA +MJ037374 Salvipuberulin C20H14O5 334.084123 NA MeJP NA NA +MJ037375 Sophoracoumestan A C20H14O5 334.084123 NA MeJP NA NA +MJ037376 Progabide C17H16ClFN2O2 334.088433 NA MeJP NA NA +MJ037377 Xylonic acid, 2,3,4,5-Tetra-Ac C13H18O10 334.089996 NA MeJP NA NA +C10966 Chlorpromazine N-oxide C17H19ClN2OS 334.0907 NA KEGG NA NA +MJ037378 Triflubazam C17H13F3N2O2 334.092912 NA MeJP NA NA +C11305 Triphenyltetrazolium chloride C19H15N4 334.0985 NA KEGG NA NA +C05551 Penicillin G C16H18N2O4S 334.0987 NA KEGG NA NA +MJ037379 6-(1-Hydroxyethyl)-4-methyl-7-oxo-3-[(2-pyridinylmethyl)thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid C16H18N2O4S 334.098727 NA MeJP NA NA +MJ037380 Benzylpenicillin C16H18N2O4S 334.098727 NA MeJP NA NA +MJ037381 Sulfaproxyline C16H18N2O4S 334.098727 NA MeJP NA NA +MJ037382 Penicillin G C16H18N2O4S 334.098727 NA MeJP NA NA +MJ037383 ?-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid, N2-?-D-Glucosyl C12H18N2O9 334.10123 NA MeJP NA NA +FL6D3CNS0005 Mesquitol-4beta-ol 3,8-dimethyl ether C17H18O7 334.10525 - knapsack NA NA +FL6D3CNS0006 Epimesquitol-4alpha-ol 4-ethyl ether C17H18O7 334.10525 104806-84-0 knapsack NA NA +MJ037384 1,10-Epoxy-3-hydroxy-4,11(13)-germacradiene-12,8:15,6-diolide, Ac C17H18O7 334.105252 NA MeJP NA NA +MJ037385 1,15-Dihydroxy-4,9,11(13)-germacratriene-12,6:14,8-diolide, 1-Ac C17H18O7 334.105252 NA MeJP NA NA +MJ037386 1,3-Dihydroxy-4,9,11(13)-germacratriene-12,8;14,6-diolide, 3-Ac C17H18O7 334.105252 NA MeJP NA NA +MJ037387 1,8-Dihydroxy-4,7(11),9-germacratriene-12,8:15,6-diolide, 1-Ac C17H18O7 334.105252 NA MeJP NA NA +MJ037388 3,3',4,4',7,8-Hexahydroxyflavan, 4-Et ether C17H18O7 334.105252 NA MeJP NA NA +MJ037389 3,3',4,4',7,8-Hexahydroxyflavan, 3,8-Di-Me ether C17H18O7 334.105252 NA MeJP NA NA +MJ037390 4-Methoxy-6-[2-(3,4-methylenedioxyphenyl)ethyl]-2H-pyran-2-one; 10,14-Dimethoxy C17H18O7 334.105252 NA MeJP NA NA +MJ037391 5,6,7,8-Tetrahydro-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)chromone, 7'R-Hydroxy C17H18O7 334.105252 NA MeJP NA NA +MJ037392 5,6,7,8-Tetrahydro-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)chromone, 7'S-Hydroxy C17H18O7 334.105252 NA MeJP NA NA +MJ037393 5,6,7,8-Tetrahydro-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)chromone, 2'-Hydroxy C17H18O7 334.105252 NA MeJP NA NA +MJ037394 5,6-Dihydroxy-2H-furo[2,3-h]-1-benzopyran-2-one; 5-Me ether, 6-O-(2R,3-dihydroxy-3-methylbutanoyl) C17H18O7 334.105252 NA MeJP NA NA +MJ037395 8,12-Epoxy-9-hydroxy-1(10),4,7,11-germacratetraen-15,6-olide, 1?,4?:5?,10?-Diepoxide, Ac C17H18O7 334.105252 NA MeJP NA NA +MJ037396 Altersolanol G C17H18O7 334.105252 NA MeJP NA NA +MJ037397 Byakangelicin C17H18O7 334.105252 NA MeJP NA NA +MJ037398 Calefolione; 2'-O-(2-Methylpropanoyl) C17H18O7 334.105252 NA MeJP NA NA +MJ037399 Erythrostominone; 2'?-Alcohol, 4-deoxy (1) C17H18O7 334.105252 NA MeJP NA NA +MJ037400 Erythrostominone; 2'?-Alcohol, 4-deoxy (2) C17H18O7 334.105252 NA MeJP NA NA +MJ037401 Fusarubin; 3,9-Di-Me ether C17H18O7 334.105252 NA MeJP NA NA +MJ037402 Fusarubin; 3-Et ether C17H18O7 334.105252 NA MeJP NA NA +MJ037403 Hamaudol, 13-Hydroxy, 3-Ac C17H18O7 334.105252 NA MeJP NA NA +MJ037404 Isobyakangelicin C17H18O7 334.105252 NA MeJP NA NA +MJ037405 Isobyakangelicolic acid C17H18O7 334.105252 NA MeJP NA NA +MJ037406 Metasequirin A; 3''-Hydroxy C17H18O7 334.105252 NA MeJP NA NA +MJ037407 Nanaomycin B; Me ester C17H18O7 334.105252 NA MeJP NA NA +MJ037408 Senaequidolide C17H18O7 334.105252 NA MeJP NA NA +MJ037409 Thamontanin C17H18O7 334.105252 NA MeJP NA NA +MJ037410 Ventiloquinone D C17H18O7 334.105252 NA MeJP NA NA +MJ037411 Ventiloquinone K C17H18O7 334.105252 NA MeJP NA NA +C09141 Byakangelicin C17H18O7 334.1053 NA KEGG NA NA +C14874 Glutathione episulfonium ion C12H20N3O6S 334.1073 NA KEGG NA NA +C09430 Fagaridine C20H16NO4 334.1079 NA KEGG NA NA +C17083 Worenine C20H16NO4 334.1079 NA KEGG NA NA +PJ000359 SND C11H18N4O8 334.1125 NA PeJP NA NA +MJ037412 6-Hydroxy-1H-indole-3-acetic acid; Nitrile, O-?-D-glucopyranoside C16H18N2O6 334.116486 NA MeJP NA NA +FL3FA9NP0004 Isopongaflavone;Candidin (Tephrosia);5-Methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C21H18O4 334.1205 64125-33-3 knapsack NA NA +FL3FA9NP0005 5-Methoxy-2,2-dimethyl-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one C21H18O4 334.1205 74517-64-9 knapsack NA NA +FL5F19NP0001 Karanjachromene;Pongaflavone;3-Methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C21H18O4 334.1205 38070-93-8 knapsack NA NA +FLIA1ANP0003 Calopogoniumisoflavone A C21H18O4 334.1205 31273-64-0 knapsack NA NA +FLIDWXNP0002 3-O-Methylanhydrotuberosin;3-Methoxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpene C21H18O4 334.1205 41347-50-6 knapsack NA NA +MJ037413 5-Hydroxy-8,8-dimethyl-2-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one; Me ether C21H18O4 334.120509 NA MeJP NA NA +MJ037414 Anhydrotuberosin; 3-Me ether C21H18O4 334.120509 NA MeJP NA NA +MJ037415 Bidwillon C; Me ether C21H18O4 334.120509 NA MeJP NA NA +MJ037416 Isopongaflavone C21H18O4 334.120509 NA MeJP NA NA +MJ037417 Karanjachromene C21H18O4 334.120509 NA MeJP NA NA +MJ037418 9,9'-Bi-9H-pyrido[3,4-b]indole C22H14N4 334.121846 NA MeJP NA NA +MJ037419 2-(4-Fluorophenyl)-4-methoxy-3-(4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-amine C19H15FN4O 334.122989 NA MeJP NA NA +MJ037420 4,5-Dihydroxy-4-(2-hydroxyethyl)-2-cyclohexen-1-one, 2'-O-?-D-Glucopyranoside C14H22O9 334.126382 NA MeJP NA NA +MJ037421 Alatoside C14H22O9 334.126382 NA MeJP NA NA +MJ037422 Thiazinamium(1+), Chloride C18H23ClN2S 334.127047 NA MeJP NA NA +C06681 Mitomycin C15H18N4O5 334.1277 NA KEGG NA NA +MJ037423 Mitomycin C C15H18N4O5 334.127719 NA MeJP NA NA +PJ000360 GQM C12H22N4O5S 334.1311 NA PeJP NA NA +MJ037424 3-p-Anisylidene-6-benzylidene-2,5-piperazinedione, N4-Me C20H18N2O3 334.131742 NA MeJP NA NA +MJ037425 Cinnofuradione C20H18N2O3 334.131742 NA MeJP NA NA +MJ037426 Mappicine, 9-Methoxy, 18-ketone C20H18N2O3 334.131742 NA MeJP NA NA +MJ037427 Xanthocillin X; 1'',2''-Dihydro, 3'-hydroxy, di-Me ether C20H18N2O3 334.131742 NA MeJP NA NA +7643 ACE inhibitor from porcine myosin (307-309) TTN 334.1369 antioxidative Inhouse_peptide NA peptide +13 Myosin TTN 334.138 celiac toxic Inhouse_peptide NA peptide +7847 NA YPFWG 334.1415 MH2+ Inhouse_peptide NA peptide +MJ037428 1,2-Bis(3,4,5-trihydroxyphenyl)ethane; 3,3',4,4'-Tetra-Me ether C18H22O6 334.141638 NA MeJP NA NA +MJ037429 1,2-Bis(4-hydroxy-3-methoxyphenyl)-1,3-propanediol, 1-Me ether C18H22O6 334.141638 NA MeJP NA NA +MJ037430 1-(2,3,4-Trihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',4,4',5'-Tetra-Me ether C18H22O6 334.141638 NA MeJP NA NA +MJ037431 15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, Me ester, Ac C18H22O6 334.141638 NA MeJP NA NA +MJ037432 3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 10?,14-Epoxide, 3-propanoyl C18H22O6 334.141638 NA MeJP NA NA +MJ037433 3-Ethoxy-5-hydroxy-4-(hydroxymethyl)-7-methoxy-6-methyl-1(3H)-isobenzofuranone; 1'-Aldehyde, O-(3-methyl-2-butenyl) C18H22O6 334.141638 NA MeJP NA NA +MJ037434 9,10-Epoxy-p-mentha-1,3,5-triene-2,5,8-triol; 2-Me ether, 5-tigloyl, 8-Ac C18H22O6 334.141638 NA MeJP NA NA +MJ037435 Combretastatin C18H22O6 334.141638 NA MeJP NA NA +MJ037436 Nordinone; 4R,5R-Epoxide C18H22O6 334.141638 NA MeJP NA NA +MJ037437 Octandrenolone; 3,4-Dihydro, 3?,4?-dihydroxy C18H22O6 334.141638 NA MeJP NA NA +MJ037438 Octandrenolone; 9,10-Dihydro, 9?,10?-dihydroxy C18H22O6 334.141638 NA MeJP NA NA +MJ037439 Sinapyl alcohol, 1-O-Angeloyl, 4'-Ac C18H22O6 334.141638 NA MeJP NA NA +MJ037440 Tetrodecamycin C18H22O6 334.141638 NA MeJP NA NA +PJ000361 GCR C11H22N6O4S 334.1423 NA PeJP NA NA +MJ037441 4-Methoxy-5-[(3-methoxy-5-pyrrol-2-yl-2H-pyrrol-2-ylidene)methyl]-2,2'-bipyrrole C19H18N4O2 334.142975 NA MeJP NA NA +MJ037442 Penidiamide C19H18N4O2 334.142975 NA MeJP NA NA +MJ037443 Pimobendan C19H18N4O2 334.142975 NA MeJP NA NA +MJ037444 Amifloxacin C16H19FN4O3 334.144118 NA MeJP NA NA +3418 NA HQAAGW 334.145 MH2+ Inhouse_peptide NA peptide +PJ000362 STQ C12H22N4O7 334.1489 NA PeJP NA NA +MJ037445 Fusarochromanone; 3'-N-Ac C17H22N2O5 334.152871 NA MeJP NA NA +MJ037446 Septorine; N-Methoxy, 1'-alcohol C17H22N2O5 334.152871 NA MeJP NA NA +7632 ACE inhibitor from b-Lg (fr, 7-9) MKG 334.1554 antioxidative Inhouse_peptide NA peptide +MJ037447 2,3-Dihydro-1,4,5-trimethoxy-9-phenyl-1H-phenalene C22H22O3 334.156894 NA MeJP NA NA +MJ037448 2,3-Dihydro-1,4,9-trimethoxy-7-phenyl-1H-phenalene C22H22O3 334.156894 NA MeJP NA NA +C15105 9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione C19H23FO4 334.158 NA KEGG NA NA +MJ037449 3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, 3-O-(3-Methylthio-2-propenoyl) (E-) C19H26O3S 334.160265 NA MeJP NA NA +MJ037450 3-Hydroxy-9,11-eremophiladien-8-one, O-(3-Methylthio-2Z-propenoyl) C19H26O3S 334.160265 NA MeJP NA NA +MJ037451 Cerberidol; 3-O-?-D-Allopyranoside C15H26O8 334.162767 NA MeJP NA NA +MJ037452 Tetroxoprim C16H22N4O4 334.164105 NA MeJP NA NA +C10745 Veprisinium C18H24NO5 334.1654 NA KEGG NA NA +PJ000363 GKM C13H26N4O4S 334.1675 NA PeJP NA NA +C06522 Strychnine C21H22N2O2 334.1681 NA KEGG NA NA +C11807 Vinorine C21H22N2O2 334.1681 NA KEGG NA NA +MJ037453 1-[8-Methoxy-4-[(2-methylphenyl)amino]-3-quinolinyl]-1-butanone C21H22N2O2 334.168127 NA MeJP NA NA +MJ037454 10,22-Dioxokopsane; N-Me C21H22N2O2 334.168127 NA MeJP NA NA +MJ037455 3,4-Diphenyl-1H-pyrazole-5-acetic acid; 1-(2-Methylpropyl) C21H22N2O2 334.168127 NA MeJP NA NA +MJ037456 Andranginine C21H22N2O2 334.168127 NA MeJP NA NA +MJ037457 Apovincamine; 14,15-Didehydro C21H22N2O2 334.168127 NA MeJP NA NA +MJ037458 Isostrychnine C21H22N2O2 334.168127 NA MeJP NA NA +MJ037459 Strychnine C21H22N2O2 334.168127 NA MeJP NA NA +MJ037460 Vomilenine; Deoxy C21H22N2O2 334.168127 NA MeJP NA NA +MetaCyc02935 vinorine [] C21H22N2O2 334.168128 NA metacyc NA NA +HMDB04634 4-Chloromethandienone C20H27ClO2 334.16995 http://www.hmdb.ca/metabolites/HMDB04634 HMDB NA NA +HMDB04634 4-Chloromethandienone C20H27ClO2 334.16995 HMDB04634 PFEM_hmdb_metabocards_official NA NA +HMDB04634 4-Chloromethandienone C20H27ClO2 334.169952 NA HMDB2010 NA NA +MJ037461 8,11,13-Abietatrien-18-oic acid; 12-Chloro C20H27ClO2 334.169957 NA MeJP NA NA +MJ037462 8,11,13-Abietatrien-18-oic acid; 14-Chloro C20H27ClO2 334.169957 NA MeJP NA NA +MJ037463 Spectinomycin; 4R-Alcohol C14H26N2O7 334.174001 NA MeJP NA NA +MJ037464 6,6-Difluoro-17-hydroxy-19-norpregn-4-en-20-yn-3-one C20H24F2O2 334.174436 NA MeJP NA NA +MJ037465 1,10-Epoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037466 1,10-Epoxyfuranoeremophilane-3,6-diol, 6-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037467 1,10-Epoxyfuranoeremophilane-6,9-diol, 9-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037468 1,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037469 1,4-Dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2-Methyl-2-propenoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037470 1,6-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037471 1,6-Dihydroxy-4,9,11(13)-germacratrien-12,8-olide, 6-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037472 1,6-Dihydroxyfuranoeremophilan-9-one, 6-(Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037473 1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037474 1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037475 1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 1-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037476 1,8-Dihydroxy-4(15),7(11)-eudesmadien-12,8-olide, 8-Et ether, 1-Ac C19H26O5 334.178023 NA MeJP NA NA +MJ037477 1-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-(2-methylpropanoyl), 1-(2-methylbutanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037478 1-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-(2-methylpropanoyl), 1-(3-methylbutanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037479 12,13-Dihydroxy-1(10)-aromadendren-2-one, Di-Ac C19H26O5 334.178023 NA MeJP NA NA +MJ037480 12,14-Dihydroxy-3(15),6-caryophylladien-8-one, 12,14-Di-Ac C19H26O5 334.178023 NA MeJP NA NA +MJ037481 12,14-Dihydroxy-3(15)-longipinen-4-one; Di-Ac C19H26O5 334.178023 NA MeJP NA NA +MJ037482 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037483 14-Hydroxy-4-oxo-11(13)-pseudoguaien-12,6-olide, 14-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037484 15,16-Epoxy-2,3,19-trihydroxy-18-nor-8(17),13(16),14-labdatrien-12-one C19H26O5 334.178023 NA MeJP NA NA +MJ037485 15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Hydroxy-2-methylpropanoyl C19H26O5 334.178023 NA MeJP NA NA +MJ037486 17,19-Dihydroxy-2-oxa-13(16),14-spongiadien-3-one C19H26O5 334.178023 NA MeJP NA NA +MJ037487 2,3,14-Trihydroxyandrost-7-ene-6,17-dione C19H26O5 334.178023 NA MeJP NA NA +MJ037488 2,3-Dihydroxy-4,7(11)-acoradien-8-one; Di-Ac C19H26O5 334.178023 NA MeJP NA NA +MJ037489 3,4-Scirpenediol, 4-(2Z-Butenoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037490 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037491 3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037492 3,8-Dihydroxy-4-rotunden-13,6-olide, 8-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037493 3,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037494 4,10-Dihydroxy-2,8-neolemnadien-5-one, Di-Ac C19H26O5 334.178023 NA MeJP NA NA +MJ037495 4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037496 4,6-Dihydroxyfuranoeremophilan-9-one, 6-(Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037497 4,8-Scirpenediol, 4-O-(2Z-Butenoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037498 4-Patchoulen-3-one; 12,15-Diacetoxy C19H26O5 334.178023 NA MeJP NA NA +MJ037499 6,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037500 6,15-Dihydroxy-1,3,11(13)-elematrien-12,8-olide, 6-(Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037501 6,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 9-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037502 6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, 2-Methylpropanoyl C19H26O5 334.178023 NA MeJP NA NA +MJ037503 8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037504 8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037505 8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(2-Methylpropenoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037506 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037507 8,9-Dihydroxymontahibisciolide, 8-(2-Methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037508 8,9-Epoxy-p-mentha-1,3,5-triene-3,7-diol; 3-(2-Methylpropanoyl), 7-(2-methylbutanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037509 8,9-Epoxy-p-mentha-1,3,5-triene-3,7-diol; 3-(2-Methylpropanoyl), 7-(3-methylbutanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037510 8-Hydroxy-1-oxo-4-eudesmen-12,6-olide, 2-Methylpropanoyl C19H26O5 334.178023 NA MeJP NA NA +MJ037511 9,10-Epoxy-p-mentha-1,3,5-triene-3,8-diol; 3-(2-Methylpropanoyl), 8-(2-methylbutanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037512 9,10-Epoxy-p-mentha-1,3,5-triene-3,8-diol; 3-(2-Methylpropanoyl), 8-(3-methylbutanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037513 Flexilin; 14-Oxo C19H26O5 334.178023 NA MeJP NA NA +MJ037514 Furanoeremophil-1(10)-ene-4,6-diol, 1?,10?-Epoxide, 6-(2-methylpropanoyl) C19H26O5 334.178023 NA MeJP NA NA +MJ037515 Gibberellin A10 C19H26O5 334.178023 NA MeJP NA NA +MJ037516 Incaspin C19H26O5 334.178023 NA MeJP NA NA +MJ037517 Juruenolide C C19H26O5 334.178023 NA MeJP NA NA +MJ037518 Kyrsteniopsolide; 18?-Hydroxy C19H26O5 334.178023 NA MeJP NA NA +MJ037519 Mammea C/OB; 3,4-Dihydro C19H26O5 334.178023 NA MeJP NA NA +MJ037520 Neolemnane; Ac C19H26O5 334.178023 NA MeJP NA NA +MJ037521 Pallescensin A, 2?,15-Diacetoxy C19H26O5 334.178023 NA MeJP NA NA +MJ037522 Plagiochiline C C19H26O5 334.178023 NA MeJP NA NA +MJ037523 Plagiochiline S C19H26O5 334.178023 NA MeJP NA NA +MJ037524 Posthumulone C19H26O5 334.178023 NA MeJP NA NA +MJ037525 Salvicanaric acid C19H26O5 334.178023 NA MeJP NA NA +MJ037526 Trisporic acid D; Me ester C19H26O5 334.178023 NA MeJP NA NA +MJ037527 Difenamizole C20H22N4O 334.179361 NA MeJP NA NA +7892 peptide from bovine b-lactoglobulin A MHIRL 334.1837 MH2+ Inhouse_peptide NA peptide +PJ000364 STK C13H26N4O6 334.1852 NA PeJP NA NA +MJ037528 Threonylseryllysine; L-L-L-form C13H26N4O6 334.185234 NA MeJP NA NA +MJ037529 Proglumide C18H26N2O4 334.189257 NA MeJP NA NA +3529 ACE inhibitor AVNPIR 334.19245 MH2+ Inhouse_peptide NA peptide +EUR482 Leukotriene E4 F4 F4 334.193225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR482 Leukotriene E4 F4 NA 334.193225 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR482 Leukotriene E4 F4 F4 334.193225 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR482 Leukotriene E4 F4 NA 334.193225 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR482 Leukotriene E4 F4 F4 334.193225 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR482 Leukotriene E4 F4 NA 334.193225 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR482 Leukotriene E4 F4 F4 334.193225 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR482 Leukotriene E4 F4 F4 334.193225 standards wishlist analysés sur QTOF HMDB NA NA +EUR482 Leukotriene E4 F4 F4 334.193225 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR482 Leukotriene E4 F4 NA 334.193225 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR482 Leukotriene E4 F4 F4 334.193225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR482 Leukotriene E4 F4 F4 334.193225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ037530 14,20-Tricosadiene-3,5,10,12,22-pentayne-1,2-diol, 14,15-Dihydro C23H26O2 334.19328 NA MeJP NA NA +C14621 9-Fluoro-17-methyl-11-oxotestosterone C20H27FO3 334.1944 NA KEGG NA NA +C15065 9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-2,20-dione C20H27FO3 334.1944 NA KEGG NA NA +C15092 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3- C20H27FO3 334.1944 NA KEGG NA NA +MJ037531 2,6-Dimethyl-7-octene-1,6-diol; 8-O-?-D-Glucopyranoside C16H30O7 334.199153 NA MeJP NA NA +MJ037532 3,7-Dimethyl-2-octene-1,8-diol; 1-O-?-D-Glucopyranoside C16H30O7 334.199153 NA MeJP NA NA +MJ037533 3,7-Dimethyl-5-octene-1,7-diol, 1-O-?-D-Glucopyranoside C16H30O7 334.199153 NA MeJP NA NA +MJ037534 3-Hydroxydecanoic acid, O-Rhamnoside C16H30O7 334.199153 NA MeJP NA NA +MJ037535 p-Menthane-7,8-diol, 7-O-?-D-Glucopyranoside C16H30O7 334.199153 NA MeJP NA NA +MJ037536 p-Menthane-7,8-diol, 8-O-?-D-Glucopyranoside C16H30O7 334.199153 NA MeJP NA NA +MJ037537 N-[2-[2-(Phenylmethyl)-1H-indol-3-yl]ethyl]pentamide C22H26N2O 334.204513 NA MeJP NA NA +MJ037538 Sophorbenzamine C22H26N2O 334.204513 NA MeJP NA NA +EUR146 12-Keto-leukotriene B4 C20H30O4 334.2144 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR166 ProstaglandinA2(PGA2) C20H30O4 334.2144 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR168 ProstaglandinB2(PGB2) C20H30O4 334.2144 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR170 ProstaglandinC2(PGC2) C20H30O4 334.2144 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR174 Prostaglandin-dJ2(PG-dJ2) C20H30O4 334.2144 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR185 ProstaglandinJ2(PGJ2) C20H30O4 334.2144 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR146 12-Keto-leukotriene B4 C20H30O4 334.2144 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR166 ProstaglandinA2(PGA2) C20H30O4 334.2144 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR168 ProstaglandinB2(PGB2) C20H30O4 334.2144 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR170 ProstaglandinC2(PGC2) C20H30O4 334.2144 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR174 Prostaglandin-dJ2(PG-dJ2) C20H30O4 334.2144 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR185 ProstaglandinJ2(PGJ2) C20H30O4 334.2144 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR146 12-Keto-leukotriene B4 C20H30O4 334.2144 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR166 ProstaglandinA2(PGA2) C20H30O4 334.2144 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR168 ProstaglandinB2(PGB2) C20H30O4 334.2144 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR170 ProstaglandinC2(PGC2) C20H30O4 334.2144 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR174 Prostaglandin-dJ2(PG-dJ2) C20H30O4 334.2144 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR185 ProstaglandinJ2(PGJ2) C20H30O4 334.2144 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR146 12-Keto-leukotriene B4 C20H30O4 334.2144 Wishlist Inhousejuil11 NA NA +EUR166 ProstaglandinA2(PGA2) C20H30O4 334.2144 Wishlist Inhousejuil11 NA NA +EUR168 ProstaglandinB2(PGB2) C20H30O4 334.2144 Wishlist Inhousejuil11 NA NA +EUR170 ProstaglandinC2(PGC2) C20H30O4 334.2144 Wishlist Inhousejuil11 NA NA +EUR174 Prostaglandin-dJ2(PG-dJ2) C20H30O4 334.2144 Wishlist Inhousejuil11 NA NA +EUR185 ProstaglandinJ2(PGJ2) C20H30O4 334.2144 Wishlist Inhousejuil11 NA NA +C05949 12-Keto-leukotriene B4 C20H30O4 334.2144 NA KEGG NA NA +C05953 Prostaglandin A2 C20H30O4 334.2144 NA KEGG NA NA +C05954 Prostaglandin B2 C20H30O4 334.2144 NA KEGG NA NA +C05955 Prostaglandin C2 C20H30O4 334.2144 NA KEGG NA NA +C05957 Prostaglandin J2 C20H30O4 334.2144 NA KEGG NA NA +C05958 delta-12-Prostaglandin J2 C20H30O4 334.2144 NA KEGG NA NA +C09125 Lathyrol C20H30O4 334.2144 NA KEGG NA NA +C09150 17-Oxogrindelic acid C20H30O4 334.2144 NA KEGG NA NA +C11876 6beta,7beta-Dihydroxykaurenoic acid C20H30O4 334.2144 NA KEGG NA NA +C14504 Di-n-hexyl phthalate C20H30O4 334.2144 NA KEGG NA NA +C14815 5,6-Epoxytetraene C20H30O4 334.2144 NA KEGG NA NA +C14913 17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate C20H30O4 334.2144 NA KEGG NA NA +C15159 3beta,13-Dihydroxy-16-(hydroxymethylene)-13,17-seco-5alpha- C20H30O4 334.2144 NA KEGG NA NA +C18173 Resolvin E2 C20H30O4 334.2144 NA KEGG NA NA +MJ037539 delta-12-13,14-Dihydro-prostaglandin J2 C20H30O4 334.214409 NA MeJP NA NA +MJ037540 12-Keto-leukotriene B4 C20H30O4 334.214409 NA MeJP NA NA +MJ037541 Prostaglandin A2 C20H30O4 334.214409 NA MeJP NA NA +MJ037542 Prostaglandin B2 C20H30O4 334.214409 NA MeJP NA NA +MJ037543 Prostaglandin C2 C20H30O4 334.214409 NA MeJP NA NA +MJ037544 Prostaglandin J2 C20H30O4 334.214409 NA MeJP NA NA +MJ037545 1,10-Epoxy-15,16-dihydroxy-3-erythoxylen-2-one C20H30O4 334.214409 NA MeJP NA NA +MJ037546 1,11,15-Trihydroxy-3,12-cyathadien-14-one C20H30O4 334.214409 NA MeJP NA NA +MJ037547 1,11-Dihydroxy-7,17-sacculatadien-12,11-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037548 1,2,3-Trihydroxy-12,15-cassadien-11-one C20H30O4 334.214409 NA MeJP NA NA +MJ037549 1,2-Epoxy-13-oxo-6,10,14-phytatrien-20,1-olide, 13S-Alcohol C20H30O4 334.214409 NA MeJP NA NA +MJ037550 1,20-Dihydroxy-2,6,10,14-phytatetraen-18,9-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037551 1,3,5,10-Farnesatetraene-7,9-diol, 10,11-Epoxide, 9-angeloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037552 1,4,6,10-Farnesatetraene-3,9-diol; 10,11-Epoxide, 9-angeloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037553 1,7,14-Trihydroxy-16-kauren-15-one C20H30O4 334.214409 NA MeJP NA NA +MJ037554 1-(2,4,6-Trihydroxyphenyl)-9-tetradecen-1-one C20H30O4 334.214409 NA MeJP NA NA +MJ037555 1-Hydroxy-15-oxo-16-kauren-19-oic acid, 16?,17-Dihydro C20H30O4 334.214409 NA MeJP NA NA +MJ037556 1-Hydroxy-2,6-humuladien-15-al; 15-Carboxylic acid, O-angeloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037557 10(20),15-Grayanotoxadiene-3,5,6,14-tetrol C20H30O4 334.214409 NA MeJP NA NA +MJ037558 10(20),15-Leucothdiene-3,5,6,14-tetrol C20H30O4 334.214409 NA MeJP NA NA +MJ037559 11,12-Epoxy-10-hydroxy-5,8,14,17-eicosatetraenoic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037560 11,12-Epoxy-4-hydroxy-7,15(17)-cembradien-16,3-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037561 11,14-Epidioxy-15-hydroxy-8(17),12-labdadien-16-al C20H30O4 334.214409 NA MeJP NA NA +MJ037562 11,15,19-Trihydroxy-3,12-cyathadien-14-one; 11?-form C20H30O4 334.214409 NA MeJP NA NA +MJ037563 11,15-Dihydroxy-16-kauren-19-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037564 11,15-Dihydroxy-9-oxo-5,13-prostadienoic acid, 1,15-Lactone C20H30O4 334.214409 NA MeJP NA NA +MJ037565 11-Eremophilene-2,8,9-triol, 2-Ketone, 9-angeloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037566 11-Eremophilene-3,8,9-triol, 8-Ketone, 3-(3-methyl-2-butenoyl) C20H30O4 334.214409 NA MeJP NA NA +MJ037567 11-Eremophilene-3,8,9-triol, 8-Ketone, 3-angeloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037568 11-Eremophilene-3,8,9-triol, 8-Ketone, 3-tigloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037569 11-Eremophilene-3,8,9-triol, 8-Ketone, 3-angeloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037570 11-Hydroxy-15-oxo-19-kauranoic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037571 12,13-Dihydroxy-5,8,10,14,17-eicosapentaenoic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037572 12,15-Dihydroxy-16-kauren-19-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037573 12,15-Dihydroxy-7,13-labdadien-16,15-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037574 12,15-Dihydroxy-8(17),13-labdadien-16,15-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037575 12,15-Epoxy-15-hydroxy-8(17),13-labdadien-16-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037576 12,16-Dihydroxy-7,13-labdadien-15,16-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037577 12,16-Dihydroxy-8(14)-pimarene-3,15-dione C20H30O4 334.214409 NA MeJP NA NA +MJ037578 12-Hydroxy-16-oxo-6,13-labdadien-15-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037579 12-Hydroxy-4,11(13)-guaiadien-3-one, (2-Hydroxy-2-methylbutanoyl) C20H30O4 334.214409 NA MeJP NA NA +MJ037580 12-Hydroxy-5-oxo-6,8,10,14-eicosatetraenoic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037581 12-Isoprenyl-3-cedrene-14,19-dioic acid; 17,18R-Dihydro C20H30O4 334.214409 NA MeJP NA NA +MJ037582 13,14-Epoxy-7,8-seco-7,19-abietanolide C20H30O4 334.214409 NA MeJP NA NA +MJ037583 13,16-Spatadiene-5,15,18,19-tetrol, 5-Ketone C20H30O4 334.214409 NA MeJP NA NA +MJ037584 13,18-Dihydroxy-8(14)-abieten-7-one; 13?-form, 18-Carboxylic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037585 13,19-Dihydroxy-1,3,7-cembratriene-9,14-dione C20H30O4 334.214409 NA MeJP NA NA +MJ037586 13-Hydroxy-7-oxo-9,11-seco-8-abieten-11,14-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037587 14-Serrulatene-2,7,8,20-tetrol; 2?-form C20H30O4 334.214409 NA MeJP NA NA +MJ037588 14-Serrulatene-3,7,8,20-tetrol; 3?-form C20H30O4 334.214409 NA MeJP NA NA +MJ037589 15,16,19-Trihydroxy-3,13-clerodadien-18-oic acid, 18?19 Lactone C20H30O4 334.214409 NA MeJP NA NA +MJ037590 15,16-Dihydroxy-3-erythroxylene-2,7-dione C20H30O4 334.214409 NA MeJP NA NA +MJ037591 15,16-Epoxy,3,4-dihydroxy-13(16),14-clerodadien-12-one C20H30O4 334.214409 NA MeJP NA NA +MJ037592 15,16-Epoxy-7,9-dihydroxy-13(16),14-labdadien-6-one C20H30O4 334.214409 NA MeJP NA NA +MJ037593 15,17-Epoxy-17-hydroxy-16-spongianone; 17?-form C20H30O4 334.214409 NA MeJP NA NA +MJ037594 15-Hydroxy-3-cleroden-18,19-olide, 15-Carboxylic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037595 15-Hydroxy-9-oxo-5,10,13-prostatrien-1-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037596 15-Hydroxy-9-oxo-5,8(12),13-prostatrienoic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037597 15-Kaurene-17,19-diol; ent-form, 19-Carboxylic acid, 15?,16?-epoxide C20H30O4 334.214409 NA MeJP NA NA +MJ037598 15-Oxo-1(10),13-halimadien-18-oic acid, 15-Carboxylic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037599 16,17,18-Trihydroxy-2,6,10,14-phytatetraen-1,20-olide; 16-Deoxy C20H30O4 334.214409 NA MeJP NA NA +MJ037600 16,17,18-Trihydroxy-2,6,10,14-phytatetraen-1,20-olide; 17-Deoxy C20H30O4 334.214409 NA MeJP NA NA +MJ037601 16,17-Dihydroxy-9(11)-kauren-19-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037602 16,17-Epoxy-14,15-dihydroxy-12-cleistanthen-11-one C20H30O4 334.214409 NA MeJP NA NA +MJ037603 16-Hydroxy-6-oxo-7,13-labdadien-15-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037604 16-Kaurene-3,11,13,15-tetrol, 15-Ketone C20H30O4 334.214409 NA MeJP NA NA +MJ037605 17,18-Epoxy-1(19),6,10,12-xenicatetraene-8,14,19-triol C20H30O4 334.214409 NA MeJP NA NA +MJ037606 17,19-Kauranediol, Dicarboxylic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037607 18,19-Dihydroxy-3,13-clerodadien-15,16-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037608 18,19-Dihydroxy-8(17),13-labdadien-16,15-olide; ent-form C20H30O4 334.214409 NA MeJP NA NA +MJ037609 18-Hydroxy-3-oxo-8(17),13-labdadien-15-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037610 19-Hydroxy-3-oxo-17-kauranoic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037611 2(4),14-Decipiadiene-1,18,19-triol; 1-Carboxylic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037612 2,15,16-Trihydroxy-1,7-pimaradien-3-one C20H30O4 334.214409 NA MeJP NA NA +MJ037613 2,16-Dihydroxy-8(17),13-labdadien-16,15-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037614 2,18-Dihydroxy-8(17),13-labdadien-15,16-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037615 2,19-Dihydroxy-8(17),13-labdadien-16,15-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037616 2,3-Seco-15-beyerene-2,3-dioic acid; ent-form C20H30O4 334.214409 NA MeJP NA NA +MJ037617 2,4,6,10-Farnesatetraene-1,9-diol; 10,11-Epoxide, 9-angeloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037618 2,5,8-Presilphiperfolanetriol, 5-Ketone, 2-angeloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037619 2,5-Dihydroxy-3-eudesmen-1-one, 2-Angeloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037620 2,5-Dihydroxy-3-tridecyl-1,4-benzoquinone; 8',9'-Didehydro(Z-), 5-Me ether C20H30O4 334.214409 NA MeJP NA NA +MJ037621 2,6,10,14-Phytatetraene-1,20-diol, 1,20-Dicarboxylic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037622 2,6,14-Phytatrien-1,20-olid-18-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037623 2,6-Dihydroxy-4(18),13-clerodadien-16,15-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037624 2,6-Dihydroxy-8,13-labdadien-15,16-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037625 2,7,14-Trihydroxy-16-kauren-15-one C20H30O4 334.214409 NA MeJP NA NA +MJ037626 2,8-Dihydroxy-4,11-guaiadien-3-one, 8-(3-Methylbutanoyl) C20H30O4 334.214409 NA MeJP NA NA +MJ037627 2-Hydroxy-3,13-clerodadien-15,16-olide, 3?,4?-Epoxide C20H30O4 334.214409 NA MeJP NA NA +MJ037628 2-Hydroxy-3-oxo-1,4(19)-clerodadien-15-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037629 20-Hydroxy-3,7,15-cembratrien-19-oic acid, 11,12(Z)-Didehydro, 17-hydroxy C20H30O4 334.214409 NA MeJP NA NA +MJ037630 3,11-Dihydroxy-4,7,15(17)-cembratrien-16,12-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037631 3,12-Cyathadiene-11,14,15-triol, 14-Ketone, 3?,4?-epoxide C20H30O4 334.214409 NA MeJP NA NA +MJ037632 3,12-Dihydroxy-1,10,14-phytatriene-5,13-dione; 6,7-Didehydro (E-) C20H30O4 334.214409 NA MeJP NA NA +MJ037633 3,12-Dihydroxy-1,10,14-phytatriene-5,13-dione; 6,7-Didehydro (Z-) C20H30O4 334.214409 NA MeJP NA NA +MJ037634 3,13-Clerodadiene-15,18-diol, Dicarboxylic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037635 3,13-Epoxy-4-hydroxy-7,15(17)-cembradien-16,14-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037636 3,16-Dihydroxy-3-erythoxylene-2,15-dione C20H30O4 334.214409 NA MeJP NA NA +MJ037637 3,16-Dihydroxy-4(18),13-clerodadien-15,16-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037638 3,16-Dihydroxy-7-isopimarene-2,15-dione C20H30O4 334.214409 NA MeJP NA NA +MJ037639 3,18-Dihydroxy-19-trachylobanoic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037640 3,19-Dihydroxy-8(17),13-labdadien-16,15-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037641 3,20-Epoxy-13-hydroxy-6,10,14-phytatrien-1,20-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037642 3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one C20H30O4 334.214409 NA MeJP NA NA +MJ037643 3,4-Dihydroxy-13-cleroden-15,16-olide, 3-Ketone C20H30O4 334.214409 NA MeJP NA NA +MJ037644 3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-Angeloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037645 3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(3-Methyl-2-butenoyl) C20H30O4 334.214409 NA MeJP NA NA +MJ037646 3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-Angeloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037647 3,4-Epoxy-11-hydroxy-7,15(17)-cembradien-16,12-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037648 3,4-Epoxy-13-cleroden-15,16-olide, 16?-Hydroxy C20H30O4 334.214409 NA MeJP NA NA +MJ037649 3,4-Epoxy-13-hydroxy-7,15(17)-cembradien-16,14-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037650 3,4:15,16-Diepoxy-13(16),14-clerodadiene-12,20-diol C20H30O4 334.214409 NA MeJP NA NA +MJ037651 3,5,7-Vouacapanetriol C20H30O4 334.214409 NA MeJP NA NA +MJ037652 3,5-Dihydroxy-13(17),15-cleistanthadien-19-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037653 3,7,14-Trihydroxy-16-kauren-15-one C20H30O4 334.214409 NA MeJP NA NA +MJ037654 3,9-Dihydroxy-7(11)-eremophilen-8-one, 3-Tigloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037655 3-Hydroxy-12-oxo-4(18),13(16)-clerodadien-15-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037656 3-Hydroxy-17-oxo-13-labden-15-oic acid, 3-Ketone C20H30O4 334.214409 NA MeJP NA NA +MJ037657 3-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, 3-Methylbutanoyl C20H30O4 334.214409 NA MeJP NA NA +MJ037658 3-Hydroxy-4(15)-eudesmen-12-oic acid, 3-Methyl-2-butenoyl C20H30O4 334.214409 NA MeJP NA NA +MJ037659 3-Hydroxy-4(15)-eudesmen-12-oic acid, Angeloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037660 3-Hydroxy-4(15)-eudesmen-12-oic acid, Tigloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037661 3-Hydroxy-7-oxo-13(15)-cassen-16-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037662 4,13-Epoxy-3-hydroxy-7,15(17)-cembradien-16,14-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037663 4,20:15,16-Diepoxy-13(16),14-clerodadiene-3,12-diol C20H30O4 334.214409 NA MeJP NA NA +MJ037664 4,6-Dihydroxy-8-daucen-10-one, 6-Angeloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037665 4,7:14,16-Diepoxy-1(14),11,15-cembratriene-2,3-diol C20H30O4 334.214409 NA MeJP NA NA +MJ037666 4-Hydroxycrenulide; 18?-Hydroxy C20H30O4 334.214409 NA MeJP NA NA +MJ037667 4-Patchoulen-3-one; 15-(3-Hydroxy-3-methylbutanoyloxy) C20H30O4 334.214409 NA MeJP NA NA +MJ037668 5,10-Dihydroxy-8-daucen-2-one, 10-Angeloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037669 5,12-Dihydroxy-6,8,10,14,17-eicosapentaenoic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037670 5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid, 12-Oxo C20H30O4 334.214409 NA MeJP NA NA +MJ037671 5,6-Dihydroxy-7,9,11,14,17-eicosapentaenoic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037672 5,7,19-Vouacapanetriol C20H30O4 334.214409 NA MeJP NA NA +MJ037673 5,8,11,14-Eicosatetraenedioic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037674 5,9-Epoxy-10(20)-grayanotoxene-3,6,16-triol C20H30O4 334.214409 NA MeJP NA NA +MJ037675 6,12-Epoxy-1(10),4-germacradiene-8,12-diol, 8-Angeloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037676 6,13-Dihydroxy-7-oxo-8(14)-abieten-19-al C20H30O4 334.214409 NA MeJP NA NA +MJ037677 6,18,19-Trihydroxy-16-kauren-2-one C20H30O4 334.214409 NA MeJP NA NA +MJ037678 6,18-Dihydroxy-3,13-clerodadien-15,16-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037679 6,7,14-Vouacapanetriol C20H30O4 334.214409 NA MeJP NA NA +MJ037680 6,7-Dihydroxy-16-kauren-19-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037681 6,7-Dihydroxy-3,13-clerodadien-15-oic acid, 7-Ketone C20H30O4 334.214409 NA MeJP NA NA +MJ037682 6,7-Epoxy-3(15)-caryophyllene-8,14-diol, 14-Angeloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037683 6,9,16-Trihydroxy-7-isopimaren-19-oic acid, 19?6 Lactone C20H30O4 334.214409 NA MeJP NA NA +MJ037684 6,9:15,16-Diepoxy-9-hydroxy-8,9-seco-13(16),14-labdadien-7-one C20H30O4 334.214409 NA MeJP NA NA +MJ037685 6-Hydroxy-7-labdene-15,19-dioic acid, 19?6 Lactone C20H30O4 334.214409 NA MeJP NA NA +MJ037686 7,10-Dioxo-5-berdimeren-20-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037687 7,11,12,14,18-Pentahydroxy-16-kauren-15-one, 7,11-Dideoxy C20H30O4 334.214409 NA MeJP NA NA +MJ037688 7,11-Epoxy-1,3,5-farnesatriene-9,10-diol, 9-Angeloyl C20H30O4 334.214409 NA MeJP NA NA +MJ037689 7,13(16)-Labdadiene-15,19-dioic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037690 7,13-Abietadien-18-oic acid; 7?,8?:13?,14?-Diepoxide C20H30O4 334.214409 NA MeJP NA NA +MJ037691 7,13-Labdadiene-15,16,17-triol, 15-Carboxylic acid, 17-aldehyde C20H30O4 334.214409 NA MeJP NA NA +MJ037692 7,13-Labdadiene-15,18-dioic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037693 7,14,18-Trihydroxy-16-kauren-15-one C20H30O4 334.214409 NA MeJP NA NA +MJ037694 7,18-Dihydroxy-8(14),15-isopimaradien-2-one, 19-Hydroxy C20H30O4 334.214409 NA MeJP NA NA +MJ037695 8(17),13-Labdadiene-15,18-diol, 15,18-Dicarboxylic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037696 8(17),13-Labdadiene-15,19-dioic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037697 8(17),13-Labdadiene-3,15-diol, 15-Carboxylic acid, 3-ketone, 8?,17-epoxide C20H30O4 334.214409 NA MeJP NA NA +MJ037698 8,11,13-Abietatriene-11,12,16,19-tetrol C20H30O4 334.214409 NA MeJP NA NA +MJ037699 8,11,13-Abietatriene-11,12,16,20-tetrol C20H30O4 334.214409 NA MeJP NA NA +MJ037700 8,12-Epoxy-3-oxo-16,11-labdanolide C20H30O4 334.214409 NA MeJP NA NA +MJ037701 8,12-Epoxy-5,11-dihydroxy-12,14-labdadien-1-one C20H30O4 334.214409 NA MeJP NA NA +MJ037702 8,13-Abietadien-18-oic acid; 8?,9?:13?,14?-Diepoxide C20H30O4 334.214409 NA MeJP NA NA +MJ037703 8-Hydroxy-1(10),4,11(13)-germacratrien-12-oic acid, 2-Methylbutanoyl C20H30O4 334.214409 NA MeJP NA NA +MJ037704 8-Hydroxy-1(10),4,11(13)-germacratrien-12-oic acid, 3-Methylbutanoyl C20H30O4 334.214409 NA MeJP NA NA +MJ037705 8-Hydroxy-12-oxo-13-abieten-18-oic acid; 8?-form C20H30O4 334.214409 NA MeJP NA NA +MJ037706 8-Hydroxy-13-oxo-5,9,11,14-eicosatetraenoic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037707 9,13-Epidioxy-8(14)-abieten-18-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037708 9,13-Epoxy-18-hydroxy-14-labden-7-one, 18-Carboxylic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037709 9,13-Epoxy-18-hydroxy-7-labden-15-oic acid, 18-Aldehyde C20H30O4 334.214409 NA MeJP NA NA +MJ037710 9,13-Epoxy-6-hydroxy-7-labden-15-oic acid, 6-Ketone C20H30O4 334.214409 NA MeJP NA NA +MJ037711 9,13:15,16-Diepoxy-7-hydroxy-14-labden-6-one C20H30O4 334.214409 NA MeJP NA NA +MJ037712 9,15-Dihydroxy-16-atisen-19-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037713 9,15-Dihydroxy-16-kauren-19-oic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037714 9,17-Octadecadiene-12,14-diyne-1,11,16-triol, 17,18-Dihydro, 1-Ac C20H30O4 334.214409 NA MeJP NA NA +MJ037715 9-Hydroxy-7-oxo-13-labden-15,16-olide C20H30O4 334.214409 NA MeJP NA NA +MJ037716 9-Hydroxy-7-oxo-15-abieten-18-oic acid; 9?-form C20H30O4 334.214409 NA MeJP NA NA +MJ037717 Agrostistachin; 17-Hydroxy C20H30O4 334.214409 NA MeJP NA NA +MJ037718 Aldovibsanin A C20H30O4 334.214409 NA MeJP NA NA +MJ037719 Allocyathin A4 C20H30O4 334.214409 NA MeJP NA NA +MJ037720 Antibiotic Sch 49027 C20H30O4 334.214409 NA MeJP NA NA +MJ037721 Antibiotic Sch 49028 C20H30O4 334.214409 NA MeJP NA NA +MJ037722 Cadlinolide B C20H30O4 334.214409 NA MeJP NA NA +MJ037723 Chapecoderin A C20H30O4 334.214409 NA MeJP NA NA +MJ037724 Chapecoderin B C20H30O4 334.214409 NA MeJP NA NA +MJ037725 Chelonaplysin B C20H30O4 334.214409 NA MeJP NA NA +MJ037726 Cheloviolene A C20H30O4 334.214409 NA MeJP NA NA +MJ037727 Constanolactone C C20H30O4 334.214409 NA MeJP NA NA +MJ037728 Constanolactone G C20H30O4 334.214409 NA MeJP NA NA +MJ037729 Coronarin B C20H30O4 334.214409 NA MeJP NA NA +MJ037730 Crinipellin A; 4?-Alcohol, 3?,18-dihydro C20H30O4 334.214409 NA MeJP NA NA +MJ037731 Crispanone C20H30O4 334.214409 NA MeJP NA NA +MJ037732 Cymathere ether B C20H30O4 334.214409 NA MeJP NA NA +MJ037733 Cymbodiacetal C20H30O4 334.214409 NA MeJP NA NA +MJ037734 Ecklonialactone F C20H30O4 334.214409 NA MeJP NA NA +MJ037735 Eupatalbin C20H30O4 334.214409 NA MeJP NA NA +MJ037736 Eupatoralbin C20H30O4 334.214409 NA MeJP NA NA +MJ037737 Floridicin C20H30O4 334.214409 NA MeJP NA NA +MJ037738 Florlide A; 15-Deoxy C20H30O4 334.214409 NA MeJP NA NA +MJ037739 Fukinanolide; 9?-Hydroxy, 9-(3-methylbutanoyl) C20H30O4 334.214409 NA MeJP NA NA +MJ037740 Furanoeudesmane-3,4-diol, 3-(3-Methylbutanoyl) C20H30O4 334.214409 NA MeJP NA NA +MJ037741 Halicholactone; 17Z,18-Didehydro C20H30O4 334.214409 NA MeJP NA NA +MJ037742 Hyalic acid; 16?,17-Dihydro C20H30O4 334.214409 NA MeJP NA NA +MJ037743 Hymenophylloide C20H30O4 334.214409 NA MeJP NA NA +MJ037744 Ichthyouleolide; 14,15-Dihydro, 13,14-didehydro, 15-hydroxy C20H30O4 334.214409 NA MeJP NA NA +MJ037745 Ichthyouleolide; 14,15-Dihydro, 15,17-didehydro, 14-hydroxy C20H30O4 334.214409 NA MeJP NA NA +MJ037746 Isohallerin C20H30O4 334.214409 NA MeJP NA NA +MJ037747 Isomulinic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037748 Mayolide A C20H30O4 334.214409 NA MeJP NA NA +MJ037749 Membrenone C C20H30O4 334.214409 NA MeJP NA NA +MJ037750 Mulinic acid C20H30O4 334.214409 NA MeJP NA NA +MJ037751 Phomactin A C20H30O4 334.214409 NA MeJP NA NA +MJ037752 Phomactin B C20H30O4 334.214409 NA MeJP NA NA +MJ037753 Phomactin E; 8?,9?-Epoxide C20H30O4 334.214409 NA MeJP NA NA +MJ037754 Pilosanone C C20H30O4 334.214409 NA MeJP NA NA +MJ037755 Prostaglandin C3; 17,18-Dihydro C20H30O4 334.214409 NA MeJP NA NA +MJ037756 Viguieric acid C20H30O4 334.214409 NA MeJP NA NA +MJ037757 Xenialactol D C20H30O4 334.214409 NA MeJP NA NA +MJ037758 Xestolide C20H30O4 334.214409 NA MeJP NA NA +MJ037759 ?-Cyclohallerin C20H30O4 334.214409 NA MeJP NA NA +MetaCyc02936 ent-6α, 7α-dihydroxykaur-16-en-19-oate [] C20H30O4 334.214409 NA metacyc NA NA +EUR146 12-Keto-leukotriene B4 C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR166 ProstaglandinA2(PGA2) C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR168 ProstaglandinB2(PGB2) C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR170 ProstaglandinC2(PGC2) C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR174 Prostaglandin-dJ2(PG-dJ2) C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR185 ProstaglandinJ2(PGJ2) C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR146 12-Keto-leukotriene B4 C20H30O4 334.21441 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR166 ProstaglandinA2(PGA2) C20H30O4 334.21441 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR168 ProstaglandinB2(PGB2) C20H30O4 334.21441 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR170 ProstaglandinC2(PGC2) C20H30O4 334.21441 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR174 Prostaglandin-dJ2(PG-dJ2) C20H30O4 334.21441 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR185 ProstaglandinJ2(PGJ2) C20H30O4 334.21441 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR146 12-Keto-leukotriene B4 C20H30O4 334.21441 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR166 ProstaglandinA2(PGA2) C20H30O4 334.21441 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR168 ProstaglandinB2(PGB2) C20H30O4 334.21441 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR170 ProstaglandinC2(PGC2) C20H30O4 334.21441 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR174 Prostaglandin-dJ2(PG-dJ2) C20H30O4 334.21441 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR185 ProstaglandinJ2(PGJ2) C20H30O4 334.21441 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR146 12-Keto-leukotriene B4 C20H30O4 334.21441 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR166 ProstaglandinA2(PGA2) C20H30O4 334.21441 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR168 ProstaglandinB2(PGB2) C20H30O4 334.21441 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR170 ProstaglandinC2(PGC2) C20H30O4 334.21441 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR174 Prostaglandin-dJ2(PG-dJ2) C20H30O4 334.21441 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR185 ProstaglandinJ2(PGJ2) C20H30O4 334.21441 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR146 12-Keto-leukotriene B4 C20H30O4 334.21441 Wishlist HMDB NA NA +EUR166 ProstaglandinA2(PGA2) C20H30O4 334.21441 Wishlist HMDB NA NA +EUR168 ProstaglandinB2(PGB2) C20H30O4 334.21441 Wishlist HMDB NA NA +EUR170 ProstaglandinC2(PGC2) C20H30O4 334.21441 Wishlist HMDB NA NA +EUR174 Prostaglandin-dJ2(PG-dJ2) C20H30O4 334.21441 Wishlist HMDB NA NA +EUR185 ProstaglandinJ2(PGJ2) C20H30O4 334.21441 Wishlist HMDB NA NA +EUR146 12-Keto-leukotriene B4 C20H30O4 334.21441 Wishlist Inhouse_PFEM NA NA +EUR166 ProstaglandinA2(PGA2) C20H30O4 334.21441 Wishlist Inhouse_PFEM NA NA +EUR168 ProstaglandinB2(PGB2) C20H30O4 334.21441 Wishlist Inhouse_PFEM NA NA +EUR170 ProstaglandinC2(PGC2) C20H30O4 334.21441 Wishlist Inhouse_PFEM NA NA +EUR174 Prostaglandin-dJ2(PG-dJ2) C20H30O4 334.21441 Wishlist Inhouse_PFEM NA NA +EUR185 ProstaglandinJ2(PGJ2) C20H30O4 334.21441 Wishlist Inhouse_PFEM NA NA +EUR146 12-Keto-leukotriene B4 C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR166 ProstaglandinA2(PGA2) C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR168 ProstaglandinB2(PGB2) C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR170 ProstaglandinC2(PGC2) C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR174 Prostaglandin-dJ2(PG-dJ2) C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR185 ProstaglandinJ2(PGJ2) C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR146 12-Keto-leukotriene B4 C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR166 ProstaglandinA2(PGA2) C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR168 ProstaglandinB2(PGB2) C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR170 ProstaglandinC2(PGC2) C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR174 Prostaglandin-dJ2(PG-dJ2) C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR185 ProstaglandinJ2(PGJ2) C20H30O4 334.21441 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB01244 15-Keto-13,14-dihydroprostaglandin A2 C20H30O4 334.214417 NA HMDB2010 NA NA +HMDB02710 Prostaglandin J2 C20H30O4 334.214417 NA HMDB2010 NA NA +HMDB02752 Prostaglandin A2 C20H30O4 334.214417 NA HMDB2010 NA NA +HMDB04234 12-Keto-leukotriene B4 C20H30O4 334.214417 NA HMDB2010 NA NA +HMDB04236 Prostaglandin B2 C20H30O4 334.214417 NA HMDB2010 NA NA +HMDB04238 Delta-12-Prostaglandin J2 C20H30O4 334.214417 NA HMDB2010 NA NA +HMDB05073 Leukotriene B5 C20H30O4 334.214417 NA HMDB2010 NA NA +HMDB04238 delta-12-Prostaglandin J2 C20H30O4 334.21442 http://www.hmdb.ca/metabolites/HMDB04238 PFEM_hmdb_metabocards_urine NA urine +HMDB02752 Prostaglandin A2 C20H30O4 334.21442 http://www.hmdb.ca/metabolites/HMDB02752 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04238 delta-12-Prostaglandin J2 C20H30O4 334.21442 http://www.hmdb.ca/metabolites/HMDB04238 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04238 delta-12-Prostaglandin J2 C20H30O4 334.21442 http://www.hmdb.ca/metabolites/HMDB04238 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01244 15-keto-13,14-dihydroprostaglandin A2 C20H30O4 334.21442 http://www.hmdb.ca/metabolites/HMDB01244 HMDB NA NA +HMDB02710 Prostaglandin J2 C20H30O4 334.21442 http://www.hmdb.ca/metabolites/HMDB02710 HMDB NA NA +HMDB02752 Prostaglandin A2 C20H30O4 334.21442 http://www.hmdb.ca/metabolites/HMDB02752 HMDB NA NA +HMDB04234 12-Keto-leukotriene B4 C20H30O4 334.21442 http://www.hmdb.ca/metabolites/HMDB04234 HMDB NA NA +HMDB04236 Prostaglandin B2 C20H30O4 334.21442 http://www.hmdb.ca/metabolites/HMDB04236 HMDB NA NA +HMDB04238 delta-12-Prostaglandin J2 C20H30O4 334.21442 http://www.hmdb.ca/metabolites/HMDB04238 HMDB NA NA +HMDB05073 Leukotriene B5 C20H30O4 334.21442 http://www.hmdb.ca/metabolites/HMDB05073 HMDB NA NA +HMDB02752 Prostaglandin A2 C20H30O4 334.21442 http://www.hmdb.ca/metabolites/HMDB02752 PFEM_hmdb_metabocards_blood NA blood +HMDB01244 15-keto-13,14-dihydroprostaglandin A2 C20H30O4 334.21442 HMDB01244 PFEM_hmdb_metabocards_official NA NA +HMDB02710 Prostaglandin J2 C20H30O4 334.21442 HMDB02710 PFEM_hmdb_metabocards_official NA NA +HMDB02752 Prostaglandin A2 C20H30O4 334.21442 HMDB02752 PFEM_hmdb_metabocards_official NA NA +HMDB04234 12-Keto-leukotriene B4 C20H30O4 334.21442 HMDB04234 PFEM_hmdb_metabocards_official NA NA +HMDB04236 Prostaglandin B2 C20H30O4 334.21442 HMDB04236 PFEM_hmdb_metabocards_official NA NA +HMDB04238 delta-12-Prostaglandin J2 C20H30O4 334.21442 HMDB04238 PFEM_hmdb_metabocards_official NA NA +HMDB05073 Leukotriene B5 C20H30O4 334.21442 HMDB05073 PFEM_hmdb_metabocards_official NA NA +EUR475 15ketoProstaglandinF2? F2 F2 334.216025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR475 15ketoProstaglandinF2? F2 NA 334.216025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR475 15ketoProstaglandinF2? F2 F2 334.216025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR475 15ketoProstaglandinF2? F2 NA 334.216025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR475 15ketoProstaglandinF2? F2 F2 334.216025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR475 15ketoProstaglandinF2? F2 NA 334.216025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR475 15ketoProstaglandinF2? F2 F2 334.216025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR475 15ketoProstaglandinF2? F2 F2 334.216025 standards wishlist analysés sur QTOF HMDB NA NA +EUR475 15ketoProstaglandinF2? F2 F2 334.216025 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR475 15ketoProstaglandinF2? F2 NA 334.216025 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR475 15ketoProstaglandinF2? F2 F2 334.216025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR475 15ketoProstaglandinF2? F2 F2 334.216025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C17975 Fortimicin AP C14H30N4O5 334.2216 NA KEGG NA NA +MJ037760 Antibiotic KA 7038IV C14H30N4O5 334.22162 NA MeJP NA NA +MJ037761 Fortimicin AP C14H30N4O5 334.22162 NA MeJP NA NA +MJ037762 Fortimicin KE C14H30N4O5 334.22162 NA MeJP NA NA +MJ037763 13-Hydroxylupanine; O-(2-Methylpropanoyl) C19H30N2O3 334.225642 NA MeJP NA NA +MJ037764 13-Hydroxylupanine; O-Butanoyl C19H30N2O3 334.225642 NA MeJP NA NA +MJ037765 Fenalamide C19H30N2O3 334.225642 NA MeJP NA NA +MJ037766 Diaminocaine C18H30N4O2 334.236876 NA MeJP NA NA +MJ037767 Emopamil C23H30N2 334.240898 NA MeJP NA NA +MetaCyc02937 emopamil [] C23H30N2 334.240899 NA metacyc NA NA +C13766 Emopamil C23H30N2 334.2409 NA KEGG NA NA +HMDB12224 Emopamil C23H30N2 334.240906 NA HMDB2010 NA NA +MJ037768 2-[[(5-Diethylamino)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hexylamino]ethanol C17H30N6O 334.248109 NA MeJP NA NA +HMDB00879 Tetrahydrodeoxycorticosterone C21H34O3 334.25079 http://www.hmdb.ca/metabolites/HMDB00879 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00879 Tetrahydrodeoxycorticosterone C21H34O3 334.25079 http://www.hmdb.ca/metabolites/HMDB00879 HMDB NA NA +HMDB00879 Tetrahydrodeoxycorticosterone C21H34O3 334.25079 http://www.hmdb.ca/metabolites/HMDB00879 PFEM_hmdb_metabocards_blood NA blood +HMDB00879 Tetrahydrodeoxycorticosterone C21H34O3 334.25079 HMDB00879 PFEM_hmdb_metabocards_official NA NA +HMDB00879 Tetrahydrodeoxycorticosterone C21H34O3 334.250793 NA HMDB2010 NA NA +MJ037769 1,19-Dihydroxy-14-methyl-2,6,10,13-phytatetraen-12-one C21H34O3 334.250794 NA MeJP NA NA +MJ037770 1,3,7,11-Cembratetraen-15-ol, Me ether, 3?,4?:11?,12?-diepoxide C21H34O3 334.250794 NA MeJP NA NA +MJ037771 1,6,9,12,15,18-Heneicosahexaene, 6,7:12,13:15,16-Triepoxide,18,19-dihydro C21H34O3 334.250794 NA MeJP NA NA +MJ037772 1-(2,6-Dihydroxyphenyl)-1-tetradecanone; Mono-Me ether C21H34O3 334.250794 NA MeJP NA NA +MJ037773 1-Hydroxy-2,5,10-nonadecatrien-4-one, Ac C21H34O3 334.250794 NA MeJP NA NA +MJ037774 1-Hydroxy-2,5,12-nonadecatrien-4-one, Ac C21H34O3 334.250794 NA MeJP NA NA +MJ037775 1-Hydroxy-2,5,14-nonadecatrien-4-one, Ac C21H34O3 334.250794 NA MeJP NA NA +MJ037776 1-Hydroxy-2,6,10,14-phytatetraen-19-oic acid, Me ether C21H34O3 334.250794 NA MeJP NA NA +MJ037777 14-(3,4-Methylenedioxyphenyl)-2-tetradecanol C21H34O3 334.250794 NA MeJP NA NA +MJ037778 15-Hydroxy-17-nor-8-labden-7-one; 13?-form, Ac C21H34O3 334.250794 NA MeJP NA NA +MJ037779 16,17,19-Kauranetriol, 19-Aldehyde, 16-Me ether C21H34O3 334.250794 NA MeJP NA NA +MJ037780 16,19-Kauranediol, 19-Carboxylic acid, 16-Me ether C21H34O3 334.250794 NA MeJP NA NA +MJ037781 2,3-Dihydroxypregnan-16-one C21H34O3 334.250794 NA MeJP NA NA +MJ037782 2-Hydroxy-6-pentadecyl-1,4-benzoquinone C21H34O3 334.250794 NA MeJP NA NA +MJ037783 3,13-Clerodadiene-15,18-diol, 15-Carboxylic acid, Me ester C21H34O3 334.250794 NA MeJP NA NA +MJ037784 3,15-Dihydroxypregnan-20-one C21H34O3 334.250794 NA MeJP NA NA +MJ037785 3,16-Dihydroxypregnan-20-one C21H34O3 334.250794 NA MeJP NA NA +MJ037786 3,17-Dihydroxypregnan-20-one C21H34O3 334.250794 NA MeJP NA NA +MJ037787 3,20-Dihydroxypregnan-11-one C21H34O3 334.250794 NA MeJP NA NA +MJ037788 3,21-Dihydroxypregnan-20-one C21H34O3 334.250794 NA MeJP NA NA +MJ037789 3,6-Dihydroxypregnan-20-one C21H34O3 334.250794 NA MeJP NA NA +MJ037790 3-(15-Hexadecynylidene)dihydro-4-hydroxy-5-methyl-2(3H)-furanone C21H34O3 334.250794 NA MeJP NA NA +MJ037791 3-(7-Hexadecenyl)-4-hydroxy-5-methylene-2(5H)-furanone C21H34O3 334.250794 NA MeJP NA NA +MJ037792 3-(7-Hexadecenyl)-4-methyl-2,5-furandione C21H34O3 334.250794 NA MeJP NA NA +MJ037793 3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 15',16'-Didehydro C21H34O3 334.250794 NA MeJP NA NA +MJ037794 3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 7',8'-Didehydro(Z-) C21H34O3 334.250794 NA MeJP NA NA +MJ037795 3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 15',16'-Didehydro C21H34O3 334.250794 NA MeJP NA NA +MJ037796 3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 7',8'-Didehydro(Z-) C21H34O3 334.250794 NA MeJP NA NA +MJ037797 3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 11',12'-Didehydro (Z-) C21H34O3 334.250794 NA MeJP NA NA +MJ037798 3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 7',8'-Didehydro C21H34O3 334.250794 NA MeJP NA NA +MJ037799 5(10)-Halimene-3,15-diol, 3-Ketone, 15-carboxylic acid, Me ester C21H34O3 334.250794 NA MeJP NA NA +MJ037800 5-Hexadecyl-5-methoxy-2(5H)-furanone; 12',13',14',15'-Tetradehydro (E,E-) C21H34O3 334.250794 NA MeJP NA NA +MJ037801 5-Hydroxy-3,14-viscidadien-19-oic acid; Me ester C21H34O3 334.250794 NA MeJP NA NA +MJ037802 5-Pentadecyl-1,3-benzenediol; 2'-Oxo C21H34O3 334.250794 NA MeJP NA NA +MJ037803 8(17),13-Labdadiene-15,18-diol, 15-Carboxylic acid, Me ester C21H34O3 334.250794 NA MeJP NA NA +MJ037804 8(17),13-Labdadiene-15,19-diol, 19-Carboxylic acid, Me ester C21H34O3 334.250794 NA MeJP NA NA +MJ037805 8(17)-Labdene-15,19-diol, 19-Aldehyde, 15-formyl C21H34O3 334.250794 NA MeJP NA NA +MJ037806 8,13-Epoxy-14-labden-3-ol, Formyl C21H34O3 334.250794 NA MeJP NA NA +MJ037807 Dictyopyrone B C21H34O3 334.250794 NA MeJP NA NA +MJ037808 Paradol; [10]Paradol C21H34O3 334.250794 NA MeJP NA NA +MJ037809 Pectinatone C21H34O3 334.250794 NA MeJP NA NA +MJ037810 Plakortone B C21H34O3 334.250794 NA MeJP NA NA +MJ037811 Pregn-6-ene-3,17,20-triol C21H34O3 334.250794 NA MeJP NA NA +MJ037812 Pregn-9(11)-ene-3,6,20-triol C21H34O3 334.250794 NA MeJP NA NA +MJ037813 Pregnane-3,16,20-triol, 16-Ketone C21H34O3 334.250794 NA MeJP NA NA +C13713 Allotetrahydrodeoxycorticosterone C21H34O3 334.2508 NA KEGG NA NA +C14608 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one C21H34O3 334.2508 NA KEGG NA NA +C14609 3alpha,17alpha-Dihydroxy-5beta-pregnan-20-one C21H34O3 334.2508 NA KEGG NA NA +C14978 17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one C21H34O3 334.2508 NA KEGG NA NA +C15137 17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3- C21H34O3 334.2508 NA KEGG NA NA +C15139 D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate C21H34O3 334.2508 NA KEGG NA NA +C15391 3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one C21H34O3 334.2508 NA KEGG NA NA +MJ037814 18-Fluoro-9,10-dihydroxyoctadecanoic acid C18H35FO4 334.251937 NA MeJP NA NA +MJ037815 Bahamamide C20H34N2O2 334.262028 NA MeJP NA NA +MJ037816 7,9,12,15,17-Pentaoxatricosane C18H38O5 334.271924 NA MeJP NA NA +HMDB02823 Docosatrienoic acid C22H38O2 334.28717 http://www.hmdb.ca/metabolites/HMDB02823 HMDB NA NA +HMDB02823 Docosatrienoic acid C22H38O2 334.28717 HMDB02823 PFEM_hmdb_metabocards_official NA NA +HMDB02823 Docosatrienoic acid C22H38O2 334.28717 NA HMDB2010 NA NA +MJ037817 10,10-Dimethyl-5,8,11-eicosatrienoic acid C22H38O2 334.28718 NA MeJP NA NA +MJ037818 13,16,19-Docosatrienoic acid C22H38O2 334.28718 NA MeJP NA NA +MJ037819 2-Methyl-5-pentadecyl-1,3-benzenediol C22H38O2 334.28718 NA MeJP NA NA +MJ037820 6,10,14-Phytatrien-1-ol, Ac C22H38O2 334.28718 NA MeJP NA NA +MJ037821 7,10,13-Docosatrienoic acid C22H38O2 334.28718 NA MeJP NA NA +MJ037822 7,7-Dimethyl-5,8,11-eicosatrienoic acid C22H38O2 334.28718 NA MeJP NA NA +C16534 13,16,19-Docosatrienoic acid C22H38O2 334.2872 NA KEGG NA NA +MJ037823 Xestamine D C21H38N2O 334.298413 NA MeJP NA NA +MJ037824 14-Methyl-4-docosen-1-yn-3-ol C23H42O 334.323565 NA MeJP NA NA +2716 erythromycin inhibitor MFLLF 334.6722 MH2+ Inhouse_peptide NA peptide +MJ037825 2-(3,5-Dibromo-4-hydroxyphenyl)ethylamine; N,N,N-Tri-Me C11H16Br2NO(+) 334.952039 NA MeJP NA NA +MJ037826 Tizolemide C11H14ClN3O3S2 335.01651 NA MeJP NA NA +MJ037827 Nicotinic acid mononucleotide C11H14NO9P 335.040617 NA MeJP NA NA +MJ037828 Isoxicam C14H13N3O5S 335.057591 NA MeJP NA NA +MJ037829 Sulfanitran C14H13N3O5S 335.057591 NA MeJP NA NA +HMDB06824 Dihydroneopterin phosphate C9H14N5O7P 335.06308 http://www.hmdb.ca/metabolites/HMDB06824 HMDB NA NA +HMDB06824 Dihydroneopterin phosphate C9H14N5O7P 335.06308 HMDB06824 PFEM_hmdb_metabocards_official NA NA +HMDB06824 Dihydroneopterin phosphate C9H14N5O7P 335.06308 NA HMDB2010 NA NA +MetaCyc02938 dihydroneopterin phosphate [Dihydroneopterin monophosphate;dihydroneopterin-p;2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine phosphate;] C9H14N5O7P1 335.063084 NA metacyc NA NA +C05925 Dihydroneopterin phosphate C9H14N5O7P 335.0631 NA KEGG NA NA +MJ037830 Salfredin C1; N-(Carboxymethyl) C15H13NO8 335.064116 NA MeJP NA NA +MetaCyc02939 nicotinamide mononucleotide [β-nicotinamide D-ribonucleotide;nicotinamide ribonucleotide;nicotinamide nucleotide;NMN;nicotinamide D-ribonucleotide;] C11H16N2O8P1 335.064427 1094-61-7 metacyc NA NA +MJ037831 Sulfachrysoidine C13H13N5O4S 335.068824 NA MeJP NA NA +MJ037832 Discorhabdin D C18H14N3O2S(+) 335.072847 NA MeJP NA NA +MJ037833 N-[4-Chloro-3-[(3-methyl-2-butenyl)oxy]phenyl]-2-methyl-3-furancarbothioamide C17H18ClNO2S 335.074677 NA MeJP NA NA +HMDB01550 S-Formylglutathione C11H17N3O7S 335.0787 http://www.hmdb.ca/metabolites/HMDB01550 HMDB NA NA +C01031 S-Formylglutathione C11H17N3O7S 335.0787 NA KEGG NA NA +C01032 alpha-L-Arabinoside C5H9O5R 335.0787 NA KEGG NA NA +HMDB01550 S-Formylglutathione C11H17N3O7S 335.0787 HMDB01550 PFEM_hmdb_metabocards_official NA NA +MJ037834 S-Formylglutathione C11H17N3O7S 335.07872 NA MeJP NA NA +MetaCyc02940 S-formylglutathione [] C11H17N3O7S1 335.078721 NA metacyc NA NA +HMDB01550 S-Formylglutathione C11H17N3O7S 335.078735 NA HMDB2010 NA NA +MJ037835 7-Formyldehydroovigerine C19H13NO5 335.079372 NA MeJP NA NA +MJ037836 Dicentrinone C19H13NO5 335.079372 NA MeJP NA NA +MJ037837 Luguine C19H13NO5 335.079372 NA MeJP NA NA +MJ037838 Mollisine C19H13NO5 335.079372 NA MeJP NA NA +MJ037839 Nandazurine C19H13NO5 335.079372 NA MeJP NA NA +MJ037840 Ovigerine, 6a,7-Didehydro, N-formyl C19H13NO5 335.079372 NA MeJP NA NA +MJ037841 Oxobuxifoline C19H13NO5 335.079372 NA MeJP NA NA +MJ037842 Oxocrebanine C19H13NO5 335.079372 NA MeJP NA NA +MJ037843 Oxonantenine C19H13NO5 335.079372 NA MeJP NA NA +MJ037844 Oxoputerine; 3-Methoxy C19H13NO5 335.079372 NA MeJP NA NA +MJ037845 Oxysanguinarine; 5,6-Dihydro, N-de-Me C19H13NO5 335.079372 NA MeJP NA NA +MJ037846 Stylopine, 13,14-Didehydro, 8-oxo C19H13NO5 335.079372 NA MeJP NA NA +MJ037847 Tuberosinone; N,O-Di-Me C19H13NO5 335.079372 NA MeJP NA NA +MJ037848 Pseudocoptisine; 8-Hydroxy C19H14NO5(+) 335.079372 NA MeJP NA NA +C09575 (+)-Luguine C19H13NO5 335.0794 NA KEGG NA NA +MJ037849 1-(4-Methylphenylsulfonyl)-2-(4-nitrophenyl)ethylene, 1,2-Dihydro, 2-methoxy C16H17NO5S 335.082743 NA MeJP NA NA +MJ037850 Sulotroban C16H17NO5S 335.082743 NA MeJP NA NA +MJ037851 Clanfenur C16H15ClFN3O2 335.083682 NA MeJP NA NA +MJ037852 ?-Amino-5-(phosphonomethyl)-[1,1'-biphenyl]-3-propanoic acid C16H18NO5P 335.092259 NA MeJP NA NA +MJ037853 Pirifibrate C17H18ClNO4 335.092435 NA MeJP NA NA +PJ000365 SDD C11H17N3O9 335.0965 NA PeJP NA NA +3978 ACE inhibitor CMENSA 335.09715 MH2+ Inhouse_peptide NA peptide +MJ037854 Stylotellane A; ?3(13)-Isomer, 2?-chloro C16H24Cl3N 335.097432 NA MeJP NA NA +MJ037855 Salfredin C1; 5-Deoxo, N-(1-carboxyethyl) C16H17NO7 335.100501 NA MeJP NA NA +MJ037856 Cebaracetam C16H18ClN3O3 335.103669 NA MeJP NA NA +C14343 Trifluralin C13H16F3N3O4 335.1093 NA KEGG NA NA +PJ000366 GEM C12H21N3O6S 335.1151 NA PeJP NA NA +MJ037857 Homoglutathione; L-L-form, S-Me C12H21N3O6S 335.115106 NA MeJP NA NA +MJ037858 Berberilycine C20H17NO4 335.115758 NA MeJP NA NA +MJ037859 Duguenaine; 11-Methoxy C20H17NO4 335.115758 NA MeJP NA NA +MJ037860 Berberine C20H18NO4(+) 335.115758 NA MeJP NA NA +MJ037861 Dehydroapocavidine C20H18NO4(+) 335.115758 NA MeJP NA NA +MJ037862 Groenlandicine; Me ether C20H18NO4(+) 335.115758 NA MeJP NA NA +MJ037863 Pseudoberberine C20H18NO4(+) 335.115758 NA MeJP NA NA +MJ037864 Spiromustine C14H23Cl2N3O2 335.116732 NA MeJP NA NA +MJ037865 Anisessine; Me ester analogue C19H17N3O3 335.126991 NA MeJP NA NA +MJ037866 Wuchuyuamide I; 3-Deoxy C19H17N3O3 335.126991 NA MeJP NA NA +MJ037867 Ramixotidine C16H21N3O3S 335.130362 NA MeJP NA NA +PJ000367 MW C16H21N3O3S 335.1304 NA PeJP NA NA +MJ037868 N-[2-(Acetylamino)-2-deoxy-?-D-glucopyranosyl]-L-asparagine C12H21N3O8 335.132864 NA MeJP NA NA +MetaCyc02941 N4-(β-N-acetyl-D-glucosaminyl)-L-asparagine [1-β-aspartyl-N-acetyl-D-glucosaminylamine;N4-(acetyl-β-D-glucosaminyl)asparagine;N4-(β-N-acetyl-D-glucosaminyl)-L-asparagine;] C12H21N3O8 335.132865 NA metacyc NA NA +HMDB00489 Aspartylglycosamine C12H21N3O8 335.13287 http://www.hmdb.ca/metabolites/HMDB00489 HMDB NA NA +HMDB00489 Aspartylglycosamine C12H21N3O8 335.13287 HMDB00489 PFEM_hmdb_metabocards_official NA NA +HMDB00489 Aspartylglycosamine C12H21N3O8 335.132874 NA HMDB2010 NA NA +C04540 N4-(Acetyl-beta-D-glucosaminyl)asparagine C12H21N3O8 335.1329 NA KEGG NA NA +PJ000368 STE C12H21N3O8 335.1329 NA PeJP NA NA +MJ037869 Araliopsinine C17H21NO6 335.136887 NA MeJP NA NA +MJ037870 Crinisine C17H21NO6 335.136887 NA MeJP NA NA +MJ037871 Eremofortin C; 12-Carboxamide C17H21NO6 335.136887 NA MeJP NA NA +MJ037872 Myrtopsine; 7,8-Dimethoxy C17H21NO6 335.136887 NA MeJP NA NA +MJ037873 Orixine C17H21NO6 335.136887 NA MeJP NA NA +MJ037874 Petomine C17H21NO6 335.136887 NA MeJP NA NA +MJ037875 Piplartine; 3,4-Epoxide, 8,9-dihydro C17H21NO6 335.136887 NA MeJP NA NA +MJ037876 Pteleprenine; 3',4'-Dihydro, 2'?,3'-dihydroxy C17H21NO6 335.136887 NA MeJP NA NA +MJ037877 Panadiplon C18H17N5O2 335.138224 NA MeJP NA NA +MetaCyc02942 α-cyclopiazonate [] C20H19N2O3 335.139567 18172-33-3 metacyc NA NA +PJ000369 GPY C16H21N3O5 335.1481 NA PeJP NA NA +MJ037878 Boxidine C19H20F3NO 335.149698 NA MeJP NA NA +4003 NA FFGLMG 335.1512 MH2+ Inhouse_peptide NA peptide +PJ000370 SVM C13H25N3O5S 335.1515 NA PeJP NA NA +MJ037879 Antibiotic LC 1202 C14H25NO8 335.158016 NA MeJP NA NA +MJ037880 Validoxylamine B; 6-Deoxy C14H25NO8 335.158016 NA MeJP NA NA +MetaCyc02943 validoxylamine A [] C14H25N1O8 335.158017 NA metacyc NA NA +MJ037881 Adenosine; 6N-Cyclopentyl C15H21N5O4 335.159354 NA MeJP NA NA +MJ037882 N-(3-Methyl-2-butenyl)adenosine C15H21N5O4 335.159354 NA MeJP NA NA +MJ037883 Zeatin, 9-(2-Deoxy-?-D-ribofuranosyl) C15H21N5O4 335.159354 NA MeJP NA NA +MetaCyc02944 isopentenyl adenosine [iPA;] C15H21N5O4 335.159354 NA metacyc NA NA +C16427 Isopentenyl adenosine C15H21N5O4 335.1594 NA KEGG NA NA +MJ037884 Almazole A, Deformyl C20H21N3O2 335.163376 NA MeJP NA NA +MJ037885 Aniflorine; Deoxy C20H21N3O2 335.163376 NA MeJP NA NA +MJ037886 Anisotine; Deoxo C20H21N3O2 335.163376 NA MeJP NA NA +3358 ACE inhibitor YALPHA 335.1655 MH2+ Inhouse_peptide NA peptide +C07792 Naratriptan C17H25N3O2S 335.1667 NA KEGG NA NA +C07793 Transferred to D00674 C17H25N3O2S 335.1667 NA KEGG NA NA +C07794 Transferred to D00675 C17H25N3O2S 335.1667 NA KEGG NA NA +C07795 Transferred to D00676 C17H25N3O2S 335.1667 NA KEGG NA NA +C07796 Transferred to D00677 C17H25N3O2S 335.1667 NA KEGG NA NA +C07797 Transferred to D00678 C17H25N3O2S 335.1667 NA KEGG NA NA +MJ037887 Almotriptan C17H25N3O2S 335.166747 NA MeJP NA NA +MJ037888 Naratriptan C17H25N3O2S 335.166747 NA MeJP NA NA +2737 regulating phosphoinositole mechanism peptide GFL 335.173 antibacterial Inhouse_peptide NA peptide +2740 regulating phosphoinositole mechanism peptide GLF 335.173 antibacterial Inhouse_peptide NA peptide +3061 fragment of human b-casein fr: 60-62 GFL 335.173 celiac toxic Inhouse_peptide NA peptide +3472 alpha-lactorphin GLF 335.173 ACE inhibitor Inhouse_peptide NA peptide +7639 ACE inhibitor from tuna muscles IFG 335.173 antioxidative Inhouse_peptide NA peptide +MJ037889 Senecionine C18H25NO5 335.173272 NA MeJP NA NA +MJ037890 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-(4-Hydroxy-3-methyl-2Z-butenoyl), O9-angeloyl C18H25NO5 335.173272 NA MeJP NA NA +MJ037891 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7,O9-Diangeloyl, N-oxide C18H25NO5 335.173272 NA MeJP NA NA +MJ037892 Bulgarsenine; 1,2-Didehydro C18H25NO5 335.173272 NA MeJP NA NA +MJ037893 Convolvine; 5'-Methoxy, N-Me C18H25NO5 335.173272 NA MeJP NA NA +MJ037894 Cruentine A C18H25NO5 335.173272 NA MeJP NA NA +MJ037895 Gynura Alkaloid C18H25NO5 C18H25NO5 335.173272 NA MeJP NA NA +MJ037896 Haplophyllidine; 2',3'-Dihydro, 3'-hydroxy C18H25NO5 335.173272 NA MeJP NA NA +MJ037897 Havanine C18H25NO5 335.173272 NA MeJP NA NA +MJ037898 Nemorensine; 11,14-Diepimer, 1,2-didehydro C18H25NO5 335.173272 NA MeJP NA NA +MJ037899 Retronecine 9-(2,3-dihydroxy-2-hydroxymethylbutanoate) 7-senecioate; 2'',3''-Dideoxy, 2'',3''-didehydro (Z-) C18H25NO5 335.173272 NA MeJP NA NA +MJ037900 Senecionine C18H25NO5 335.173272 NA MeJP NA NA +MJ037901 Senecivernine C18H25NO5 335.173272 NA MeJP NA NA +MJ037902 Stemotinine C18H25NO5 335.173272 NA MeJP NA NA +MJ037903 Triangularine C18H25NO5 335.173272 NA MeJP NA NA +C06176 Senecionine C18H25NO5 335.1733 NA KEGG NA NA +C10328 Integerrimine C18H25NO5 335.1733 NA KEGG NA NA +C10393 Senecivernine C18H25NO5 335.1733 NA KEGG NA NA +C10410 Triangularine C18H25NO5 335.1733 NA KEGG NA NA +C07043 Hydroxychloroquine C18H26ClN3O 335.1764 NA KEGG NA NA +MJ037904 Hydroxychloroquine C18H26ClN3O 335.17644 NA MeJP NA NA +PJ000371 GLF C17H25N3O4 335.1845 NA PeJP NA NA +C10157 Lobelanine C22H25NO2 335.1885 NA KEGG NA NA +MJ037905 1-(4,4-Diphenyl-3-butenyl)-3-piperidinecarboxylic acid C22H25NO2 335.188529 NA MeJP NA NA +MJ037906 2-Benzyl-3-tropanol, Benzoyl C22H25NO2 335.188529 NA MeJP NA NA +MJ037907 ?-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol C22H25NO2 335.188529 NA MeJP NA NA +MJ037908 Lobelanidine, Diketone C22H25NO2 335.188529 NA MeJP NA NA +MJ037909 N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]cinnamide, 2'-Deoxy, 4''-O-(3-methyl-2-butenyl) C22H25NO2 335.188529 NA MeJP NA NA +MJ037910 Napitane C22H25NO2 335.188529 NA MeJP NA NA +MJ037911 Ambasilide C21H25N3O 335.199762 NA MeJP NA NA +MJ037912 Ontazolast C21H25N3O 335.199762 NA MeJP NA NA +2583 tenecin-1 (34-42) CNGKRVCVC~ 335.20545 MH2+ Inhouse_peptide NA peptide +MJ037913 Fortimicin AK C14H29N3O6 335.205635 NA MeJP NA NA +MJ037914 Ankorine C19H29NO4 335.209658 NA MeJP NA NA +MJ037915 Dendrine C19H29NO4 335.209658 NA MeJP NA NA +MJ037916 Lamorolid C19H29NO4 335.209658 NA MeJP NA NA +MJ037917 Perfomedil C19H29NO4 335.209658 NA MeJP NA NA +C09337 Ankorine C19H29NO4 335.2097 NA KEGG NA NA +MJ037918 6-Propyl-8-(1H-1,2,4-triazol-1-ylmethyl)ergoline C20H25N5 335.210995 NA MeJP NA NA +MJ037919 Trimethyltetradecylammonium(1+); Bromide C17H38BrN 335.218762 NA MeJP NA NA +C11279 Cetrimide C17H38N 335.2188 NA KEGG NA NA +MJ037920 ?-(2-Hydroxy-4-oxodecanoyl)histidine; N3-Ac, N8-Me, 10-deoxy C18H29N3O3 335.220891 NA MeJP NA NA +MJ037921 3-Greenwayodendrinol; 3?-form, 3-Ketone C23H29NO 335.224914 NA MeJP NA NA +MJ037922 4,4-Diphenyl-6-(1-piperidinyl)-3-hexanone C23H29NO 335.224914 NA MeJP NA NA +MJ037923 Polyavolensinol; Ketone C23H29NO 335.224914 NA MeJP NA NA +MJ037924 7-[5-(1-Octenyl)-2-oxa-3-azabicyclo[2.2.1]hept-6-yl]-5-heptenoic acid C20H33NO3 335.246043 NA MeJP NA NA +MJ037925 7-[6-(1-Octenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-yl]-5-heptenoic acid C20H33NO3 335.246043 NA MeJP NA NA +MJ037926 Ganglefene C20H33NO3 335.246043 NA MeJP NA NA +MJ037927 Lepadin B; O-(Hydroxyacetyl) C20H33NO3 335.246043 NA MeJP NA NA +MJ037928 Neovasipyridone; N-(2-Methylpropyl) C20H33NO3 335.246043 NA MeJP NA NA +MJ037929 Oxeladin C20H33NO3 335.246043 NA MeJP NA NA +MJ037930 Loesenerine; 17,18Z-Didehydro C19H33N3O2 335.257277 NA MeJP NA NA +MJ037931 Droprenilamine C24H33N 335.2613 NA MeJP NA NA +MJ037932 20-Aminopregnane-3,4-diol C21H37NO2 335.282429 NA MeJP NA NA +MJ037933 2,4-Octadecadienoic acid, 2-Methylpropylamide C22H41NO 335.318814 NA MeJP NA NA +MJ037934 Pyrrolidine; N-(2-Octadecenoyl)(E) C22H41NO 335.318814 NA MeJP NA NA +MJ037935 Pyrrolidine; N-(9-Octadecenoyl) C22H41NO 335.318814 NA MeJP NA NA +MJ037936 2-Methyl-6-(8-heptadecenyl)piperidine C23H45N 335.3552 NA MeJP NA NA +3367 ACE inhibitor GKKVLQ 335.7095 MH2+ Inhouse_peptide NA peptide +26 Hemoglobin GKKVLQ 335.711 MH2+ Inhouse_peptide NA peptide +MJ037937 3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid C9H6Br2O4 335.863283 NA MeJP NA NA +C04285 3,5-Dibromo-4-hydroxyphenylpyruvate C9H6Br2O4 335.8633 NA KEGG NA NA +HMDB04122 Selenocystine C6H12N2O4Se2 335.91275 http://www.hmdb.ca/metabolites/HMDB04122 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04122 Selenocystine C6H12N2O4Se2 335.91275 http://www.hmdb.ca/metabolites/HMDB04122 HMDB NA NA +HMDB04122 Selenocystine C6H12N2O4Se2 335.91275 NA ;SYN:(+)-Pipecolic acid; (+)-Pipecolinic acid; (2R)-2-Piperidinecarboxylic acid; (2R)-piperidine-2-carboxylic acid; (R)-()-2-Piperidinecarboxylic acid; (R)-(+)-Pipecolic acid; (R)-2-Piperidinecarboxylic acid; (R)-Pipecolic acid; (R)-Pipecolinic acid; (R)-Piperidine-2-carboxylic acid; 6-Carboxypiperidine; D-(+)- Pipecolic acid; D-(+)-Pipecolic acid; D-Homoproline; D-Pipecolic acid; D-Pipecolinic acid; D-Piperidine-2-carboxylic acidH2Blood Inhouse_peptide NA peptide +MJ037938 Selenocystine C6H12N2O4Se2 335.91275 NA MeJP NA NA +HMDB04122 Selenocystine C6H12N2O4Se2 335.91275 http://www.hmdb.ca/metabolites/HMDB04122 PFEM_hmdb_metabocards_blood NA blood +HMDB04122 Selenocystine C6H12N2O4Se2 335.91275 HMDB04122 PFEM_hmdb_metabocards_official NA NA +HMDB04122 Selenocystine C6H12N2O4Se2 335.91275 NA HMDB2010 NA NA +C05704 Selenocystine C6H12N2O4Se2 335.9128 NA KEGG NA NA +MJ037939 1-Deoxy-1-(dimethylarsinoyl)ribitol; 5-O-Sulfate C7H17AsO8S 335.986009 NA MeJP NA NA +MJ037940 Trovirdine C13H13BrN4S 336.004429 NA MeJP NA NA +MJ037941 3-(3-Bromo-4-chloro-4-methylcyclohexyl)-4-oxo-2-pentenoic acid; Me ester C13H18BrClO3 336.012784 NA MeJP NA NA +MJ037942 1,2,3,4-Tetrahydro-6-nitro-2,3-dioxobenzo[f]quinoxaline-7-sulfonamide C12H8N4O6S 336.016454 NA MeJP NA NA +MJ037943 Nifurzide C12H8N4O6S 336.016454 NA MeJP NA NA +C13667 2,3-Dioxo-6-nitro-7-sulfamoylbenzo[f]quinoxaline C12H8N4O6S 336.0165 NA KEGG NA NA +MJ037944 Homochloramphenicol C12H14Cl2N2O5 336.027976 NA MeJP NA NA +HMDB05797 Peonidin C16H13ClO6 336.04007 NA HMDB2010 NA NA +C07933 Dantrolene sodium anhydrous C14H9N4O5 336.0471 NA KEGG NA NA +MJ037945 Benzpyrinium(1+); Bromide C15H17BrN2O2 336.04734 NA MeJP NA NA +C01185 Nicotinate D-ribonucleotide C11H15NO9P 336.0484 NA KEGG NA NA +HMDB01132 Nicotinic acid mononucleotide C11H15NO9P 336.04843 http://www.hmdb.ca/metabolites/HMDB01132 HMDB NA NA +HMDB01132 Nicotinic acid mononucleotide C11H15NO9P 336.04843 HMDB01132 PFEM_hmdb_metabocards_official NA NA +MJ037946 Nicotinate D-ribonucleotide C11H15NO9P 336.048442 NA MeJP NA NA +MetaCyc02945 nicotinate nucleotide [nicotinate dinucleotide;β-nicotinate-D-nucleotide;NaMN;nicotinic acid nucleotide;nicotinic acid mononucleotide;nicotinic acid ribonucleotide;nicotinate-D-ribonucleotide;nicotinate ribonucleotide;nicotinate mononucleotide;deamido-nicotinamide mononucleotide;deamido-NMN;β-nicotinate D-ribonucleotide;] C11H15N1O9P1 336.048443 321-02-8 metacyc NA NA +CJpos0763 Uric acid [(2M+H)]+ C10H9N8O6 336.056175 C18rt(min)=1.07 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0763 Uric acid [(2M+H)]+ C10H9N8O6 336.056175 C18rt(min)=1.07 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJneg0535 Uric acid [(2M-H)]- C10H7N8O6 336.057225 C18rt(min)=1.07 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0536 Uric acid [(2M-H)]- C10H7N8O6 336.057225 C18rt(min)=1.37 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0535 Uric acid [(2M-H)]- C10H7N8O6 336.057225 C18rt(min)=1.07 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0536 Uric acid [(2M-H)]- C10H7N8O6 336.057225 C18rt(min)=1.37 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C14350 2,2-Bis(4-hydroxyphenyl)hexafluoropropane C15H10F6O2 336.0585 NA KEGG NA NA +FL1AUNNF0002 Derriobtusone B C19H12O6 336.06338 61755-73-5 knapsack NA NA +FL5F1CNF0001 Pongapin;3-Methoxy-2-[3,4-(methylenedioxy)phenyl]-4H-furo[2,3-h]-1-benzopyran-4-one;2-(1,3-Benzodioxol-5-yl)-3-methoxy-4H-furo[2,3-h]-1-benzopyran-4-one C19H12O6 336.06338 481-99-2 knapsack NA NA +FLIA1LNF0001 Dehydroneotenone C19H12O6 336.06338 1242-81-5 knapsack NA NA +FLIABCNF0002 Garhwalin C19H12O6 336.06338 113023-68-0 knapsack NA NA +FLIF1LNF0002 Dolineone;Dolichone C19H12O6 336.06338 10065-28-8 knapsack NA NA +FLIH1LNF0001 Pachyrrhizin;Neorautone C19H12O6 336.06338 10091-01-7 knapsack NA NA +MJ037947 Dicumarol C19H12O6 336.063388 NA MeJP NA NA +MJ037948 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4H-furo[2,3-h]-1-benzopyran-4-one; 5-Me, 3',4'-methylene ether C19H12O6 336.063388 NA MeJP NA NA +MJ037949 Antibiotic WS 5995A C19H12O6 336.063388 NA MeJP NA NA +MJ037950 Bicoumol; 7-Me ether C19H12O6 336.063388 NA MeJP NA NA +MJ037951 Derriobtusone B C19H12O6 336.063388 NA MeJP NA NA +MJ037952 Dicoumarol C19H12O6 336.063388 NA MeJP NA NA +MJ037953 Dolineone C19H12O6 336.063388 NA MeJP NA NA +MJ037954 Gamatin C19H12O6 336.063388 NA MeJP NA NA +MJ037955 Garhwalin C19H12O6 336.063388 NA MeJP NA NA +MJ037956 Indanonaphthol B C19H12O6 336.063388 NA MeJP NA NA +MJ037957 Lasiocephalin C19H12O6 336.063388 NA MeJP NA NA +MJ037958 Neotenone, 2,3-Didehydro C19H12O6 336.063388 NA MeJP NA NA +MJ037959 Oreojasmin; 6-Demethoxy C19H12O6 336.063388 NA MeJP NA NA +MJ037960 Pachyrrhizin C19H12O6 336.063388 NA MeJP NA NA +MJ037961 Phlebiarubrone; 4',4''-Dihydroxy C19H12O6 336.063388 NA MeJP NA NA +MJ037962 Pongaglabrone; 5'-Methoxy C19H12O6 336.063388 NA MeJP NA NA +MJ037963 Pongapin C19H12O6 336.063388 NA MeJP NA NA +MJ037964 Tetracenomycin D C19H12O6 336.063388 NA MeJP NA NA +MetaCyc02946 dicoumarol [dicoumarin;melitoxin;bis-hydroxycoumarin;dicumarol;dicoumarol;] C19H12O6 336.063388 66-76-2 metacyc NA NA +C00796 Dicumarol C19H12O6 336.0634 NA KEGG NA NA +C12376 Tetracenomycin D1 C19H12O6 336.0634 NA KEGG NA NA +MJ037965 Cupalaurenol; Ac C17H21BrO2 336.072492 NA MeJP NA NA +MJ037966 Cyclolaurene; 7-Bromo, 10-acetoxy C17H21BrO2 336.072492 NA MeJP NA NA +HMDB04645 S-Nitrosoglutathione C10H16N4O7S 336.07397 http://www.hmdb.ca/metabolites/HMDB04645 HMDB NA NA +HMDB04645 S-Nitrosoglutathione C10H16N4O7S 336.07397 HMDB04645 PFEM_hmdb_metabocards_official NA NA +HMDB04645 S-Nitrosoglutathione C10H16N4O7S 336.073975 NA HMDB2010 NA NA +JH069 Vanillic acid [2M+H]+ NA 336.0747 11.79 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH069 Vanillic acid [2M+H]+ NA 336.0747 11.79 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH069 Vanillic acid [2M+H]+ NA 336.0747 11.79 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH069 Vanillic acid [2M+H]+ NA 336.0747 11.79 Inhousejuil11 NA NA +MJ037967 Griseophenone Y C17H17ClO5 336.076451 NA MeJP NA NA +MJ037968 Flustramine C; 8,8a-Dihydro, N-Oxide C16H21BrN2O 336.083725 NA MeJP NA NA +MJ037969 Flustraminol A C16H21BrN2O 336.083725 NA MeJP NA NA +MJ037970 Flustraminol B C16H21BrN2O 336.083725 NA MeJP NA NA +JH222 Chlorogenic acid [M+H-H20]+ NA 336.084 11.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH222 Chlorogenic acid [M+H-H20]+ NA 336.084 11.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH222 Chlorogenic acid [M+H-H20]+ NA 336.084 11.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH222 Chlorogenic acid [M+H-H20]+ NA 336.084 11.5 Inhousejuil11 NA NA +C10296 Altersolanol A C16H16O8 336.0845 NA KEGG NA NA +C10434 5-O-Caffeoylshikimic acid C16H16O8 336.0845 NA KEGG NA NA +MJ037971 3-O-Caffeoylshikimic acid C16H16O8 336.084517 NA MeJP NA NA +MJ037972 4-O-Caffeoylshikimic acid C16H16O8 336.084517 NA MeJP NA NA +MJ037973 5-Hydroxy-1,4-naphthoquinone; O-?-D-Glucopyranoside C16H16O8 336.084517 NA MeJP NA NA +MJ037974 5-O-Caffeoylshikimic acid C16H16O8 336.084517 NA MeJP NA NA +MJ037975 Altersolanol A C16H16O8 336.084517 NA MeJP NA NA +MJ037976 Bostrycin C16H16O8 336.084517 NA MeJP NA NA +MJ037977 Flagranone C C16H16O8 336.084517 NA MeJP NA NA +MetaCyc02947 caffeoylshikimate [] C16H16O8 336.084517 NA metacyc NA NA +MJ037978 1-Bromo-6-chloro-4-eudesmanol C15H26BrClO 336.085555 NA MeJP NA NA +MJ037979 1-Bromo-7-eudesmen-4-ol, 7,8-Dihydro, 7?-chloro C15H26BrClO 336.085555 NA MeJP NA NA +MJ037980 Clonixin; 2,3-Dihydroxypropyl ester C16H17ClN2O4 336.087684 NA MeJP NA NA +C15389 4,4'-Stilbenedicarboxamidine dihydrochloride C16H16N4 336.0909 NA KEGG NA NA +FL3FAANF0001 Ciliatin A;(+)-2,3-dihydro-4-hydroxy-7-(4-hydroxyphenyl)-2-(1-methylethenyl)-5H-Furo[3,2-g][1]benzopyran-5-one C20H16O5 336.09977 539826-39-6 knapsack NA NA +FL3FAANP0001 Atalantoflavone C20H16O5 336.09977 119309-02-3 knapsack NA NA +FL3FAANP0006 Yinyanghuo C;2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-4H-1-benzopyran-4-one C20H16O5 336.09977 149182-47-8 knapsack NA NA +FL3FAANP0007 Carpachromene;5-Hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one;5,4'-Dihidroxy-6'',6''-dimethylpyrano[2'',3'':7,6]flavone C20H16O5 336.09977 57498-96-1 knapsack NA NA +FLIA1LNP0001 Glabrone C20H16O5 336.09977 60008-02-8 knapsack NA NA +FLIA1LNP0007 Puerarone;7,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',5']isoflavone C20H16O5 336.09977 116109-15-4 knapsack NA NA +FLIAAANP0002 Alpinumisoflavone C20H16O5 336.09977 34086-50-5 knapsack NA NA +FLIAAANP0003 Derrone C20H16O5 336.09977 76166-59-1 knapsack NA NA +FLIAAANP0007 Isoderrone;5,7-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone C20H16O5 336.09977 121747-89-5 knapsack NA NA +FLIDHXNF0002 Clandestacarpin C20H16O5 336.09977 79002-16-7 knapsack NA NA +FLIE1ANI0001 Psoralidin;3,9-Dihydroxy-2-prenylcoumestan C20H16O5 336.09977 18642-23-4 knapsack NA NA +FLIE1ANI0003 Isosojagol C20H16O5 336.09977 94390-15-5 knapsack NA NA +FLIE1ANI0004 Phaseol;3,9-Dihydroxy-4-prenylcoumestan C20H16O5 336.09977 88478-02-8 knapsack NA NA +FLIE1ANP0001 Sojagol;Soyagol C20H16O5 336.09977 18979-00-5 knapsack NA NA +FLIE1ANP0003 Isopsoralidin;1,2-Dideoxycorylidin C20H16O5 336.09977 3564-61-2 knapsack NA NA +MJ037981 2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol, 3'-Methoxy, 3-ketone C20H16O5 336.099773 NA MeJP NA NA +MJ037982 2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-4H-1-benzopyran-4-one C20H16O5 336.099773 NA MeJP NA NA +MJ037983 Alpinumisoflavone C20H16O5 336.099773 NA MeJP NA NA +MJ037984 Antibiotic SF 2609; Antibiotic SF 2609B C20H16O5 336.099773 NA MeJP NA NA +MJ037985 Atalantoflavone C20H16O5 336.099773 NA MeJP NA NA +MJ037986 Brasiliquinone B C20H16O5 336.099773 NA MeJP NA NA +MJ037987 Carpachromene C20H16O5 336.099773 NA MeJP NA NA +MJ037988 Clandestacarpin C20H16O5 336.099773 NA MeJP NA NA +MJ037989 Corylidin; 1,2-Dideoxy C20H16O5 336.099773 NA MeJP NA NA +MJ037990 Derrone C20H16O5 336.099773 NA MeJP NA NA +MJ037991 Fujianmycin A; 8-Me ether C20H16O5 336.099773 NA MeJP NA NA +MJ037992 Galyprenylin C20H16O5 336.099773 NA MeJP NA NA +MJ037993 Garciniaxanthone G C20H16O5 336.099773 NA MeJP NA NA +MJ037994 Glabrone C20H16O5 336.099773 NA MeJP NA NA +MJ037995 Hatomarubigin C; 1-Ketone C20H16O5 336.099773 NA MeJP NA NA +MJ037996 Hatomarubigin C; 11-Deoxy, 6-hydroxy, 1-ketone C20H16O5 336.099773 NA MeJP NA NA +MJ037997 Isoderrone C20H16O5 336.099773 NA MeJP NA NA +MJ037998 Isosojagol C20H16O5 336.099773 NA MeJP NA NA +MJ037999 Kanzonol W C20H16O5 336.099773 NA MeJP NA NA +MJ038000 Palmarumycin CP1; 8-Hydroxy, 2,3-dihydro, 4?-alcohol C20H16O5 336.099773 NA MeJP NA NA +MJ038001 Palmarumycin CP4 C20H16O5 336.099773 NA MeJP NA NA +MJ038002 Phaseol C20H16O5 336.099773 NA MeJP NA NA +MJ038003 Prehalenaquinone C20H16O5 336.099773 NA MeJP NA NA +MJ038004 Psoralidin C20H16O5 336.099773 NA MeJP NA NA +MJ038005 Psorothamnone A C20H16O5 336.099773 NA MeJP NA NA +MJ038006 Puerarone C20H16O5 336.099773 NA MeJP NA NA +MJ038007 Rabelomycin; 6-Deoxy, 8-Me ether C20H16O5 336.099773 NA MeJP NA NA +MJ038008 Sanggenon R C20H16O5 336.099773 NA MeJP NA NA +MJ038009 Sojagol C20H16O5 336.099773 NA MeJP NA NA +MJ038010 Tilifodiolide C20H16O5 336.099773 NA MeJP NA NA +C10523 Psoralidin C20H16O5 336.0998 NA KEGG NA NA +C10529 Sojagol C20H16O5 336.0998 NA KEGG NA NA +PJ000372 SCQ C11H20N4O6S 336.1104 NA PeJP NA NA +MJ038011 5-Ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione; 1-Benzoyl C19H16N2O4 336.111007 NA MeJP NA NA +MJ038012 Alangimarinone C19H16N2O4 336.111007 NA MeJP NA NA +MJ038013 Pancorinine C19H16N2O4 336.111007 NA MeJP NA NA +MJ038014 Cannabiorcichromenic acid; 8-Chloro C18H21ClO4 336.112836 NA MeJP NA NA +MJ038015 Mugineic acid; 3?-Hydroxy C12H20N2O9 336.11688 NA MeJP NA NA +C15501 3-Epihydroxymugineic acid C12H20N2O9 336.1169 NA KEGG NA NA +MJ038016 1,10-Epoxy-3-hydroxy-4,11(13)-germacradiene-12,8:15,6-diolide, 11?,13-Dihydro, Ac C17H20O7 336.120902 NA MeJP NA NA +MJ038017 1,15-Dihydroxy-9,11(13)-germacradiene-12,6:14,8-diolide, 1-Ac C17H20O7 336.120902 NA MeJP NA NA +MJ038018 1,2:3,4-Diepoxy-8,10-dihydroxy-11(13)-guaien-12,6-olide, 8-Ac C17H20O7 336.120902 NA MeJP NA NA +MJ038019 1,4,8-Trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 1-Hydroperoxide, 8-Ac C17H20O7 336.120902 NA MeJP NA NA +MJ038020 1,4,8-Trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 4-Hydroperoxide, 8-Ac C17H20O7 336.120902 NA MeJP NA NA +MJ038021 1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 10-Ac C17H20O7 336.120902 NA MeJP NA NA +MJ038022 1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 9-Ac C17H20O7 336.120902 NA MeJP NA NA +MJ038023 7-Hydroxy-6-[2-hydroxy-2-(tetrahydro-2-methyl-5-oxo-2-furyl)ethyl]-5-methoxy-4-methylphthalide C17H20O7 336.120902 NA MeJP NA NA +MJ038024 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Ac C17H20O7 336.120902 NA MeJP NA NA +MJ038025 Ezomontanin C17H20O7 336.120902 NA MeJP NA NA +MJ038026 Fusarubin; 4a?,10a?-Dihydro, 3-Et ether C17H20O7 336.120902 NA MeJP NA NA +MJ038027 Fusarubin; 4a?,10a?-Dihydro, 3-Et ether C17H20O7 336.120902 NA MeJP NA NA +MJ038028 Fusarubin; 4a?,10a?-Dihydro, 3-Et ether C17H20O7 336.120902 NA MeJP NA NA +MJ038029 Micordilin C17H20O7 336.120902 NA MeJP NA NA +MJ038030 Oncocalyxonol C17H20O7 336.120902 NA MeJP NA NA +MJ038031 Phthalexin C17H20O7 336.120902 NA MeJP NA NA +HMDB03409 Berberine C20H18NO4 336.12357 http://www.hmdb.ca/metabolites/HMDB03409 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03409 Berberine C20H18NO4 336.12357 http://www.hmdb.ca/metabolites/HMDB03409 HMDB NA NA +HMDB03409 Berberine C20H18NO4 336.12357 http://www.hmdb.ca/metabolites/HMDB03409 PFEM_hmdb_metabocards_blood NA blood +HMDB03409 Berberine C20H18NO4 336.12357 HMDB03409 PFEM_hmdb_metabocards_official NA NA +MJ038032 Berberine C20H18NO4 336.123583 NA MeJP NA NA +MetaCyc02948 berberine [umbellatine;] C20H18N1O4 336.123583 2086-83-1 metacyc NA NA +HMDB03409 Berberine C20H18NO4 336.123596 NA HMDB2010 NA NA +C00757 Berberine C20H18NO4 336.1236 NA KEGG NA NA +PJ000373 GSSS C11H20N4O8 336.1281 NA PeJP NA NA +MJ038033 2-(4-Hydroxybenzyl)imidazole; O-?-D-Galactopyranoside C16H20N2O6 336.132136 NA MeJP NA NA +FL1C1ANP0004 4-Methoxylonchocarpin C21H20O4 336.13615 51589-67-4 knapsack NA NA +FL1CA9NF0003 Crassichalcone;5''-Isopropenyl-4'',5''-dihydrofurano[2'',3'':4',3']-2'-hydroxy-6'-methoxychalcone C21H20O4 336.13615 260437-87-4 knapsack NA NA +FL1CA9NP0002 Oaxacacin C21H20O4 336.13615 88509-90-4 knapsack NA NA +FL1CA9NP0004 Pongachalcone I C21H20O4 336.13615 41724-53-2<BR>51703-76-5 knapsack NA NA +FL1CA9NP0006 2',4'-Dihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']chalcone C21H20O4 336.13615 20890-68-0 knapsack NA NA +FL1CA9NP0011 Cedreprenone;(2E)-1-(5-Hydroxy-7-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-phenyl-2-propen-1-one C21H20O4 336.13615 554408-31-0 knapsack NA NA +FL1CHYNP0002 6'-Demethoxypraecansone B C21H20O4 336.13615 93753-26-5 knapsack NA NA +FL1CRTNP0003 Licoagrochalcone B;6'',6''-Dimethylpyrano[2'',3'':4,3]-4'-hydroxy-2-methoxychalcone C21H20O4 336.13615 325144-67-0 knapsack NA NA +FL2F1ANP0007 Dorspoinsettifolin;4'-Methoxy-6'',6''-dimethyldihydropyrano[2'',3'':7,8]flavanone C21H20O4 336.13615 236753-59-6 knapsack NA NA +FL2F29NP0001 Ovalichromene C21H20O4 336.13615 61670-30-2 knapsack NA NA +FL2FA9NF0001 Emoroidenone;5-Methoxy-5''-[2'',3'':7,8]-isopropenyldihydrofuranoflavanone C21H20O4 336.13615 169532-89-2 knapsack NA NA +FL2FA9NI0020 Tephroleocarpin B C21H20O4 336.13615 138590-94-0 knapsack NA NA +FL2FA9NP0001 Obovatin methyl ether C21H20O4 336.13615 69640-78-4 knapsack NA NA +FL3F19NI0001 Lanceolatin A(flavonoid) C21H20O4 336.13615 41689-78-5 knapsack NA NA +FLIA1ANI0002 Durlettone C21H20O4 336.13615 60270-41-9 knapsack NA NA +FLIA1ANI0003 Maximaisoflavone J;7-Prenyloxy-4'-methoxyisoflavone C21H20O4 336.13615 16277-87-5 knapsack NA NA +FLID1ANP0003 Hemileiocarpin C21H20O4 336.13615 66446-92-2 knapsack NA NA +MJ038034 1-(5,7-Dihydroxy-2,2,6-trimethyl-2H-1-benzopyran-8-yl)-3-phenyl-2-propen-1-one C21H20O4 336.136159 NA MeJP NA NA +MJ038035 2,2,12-Trimethyl-2H-naphtho[1,2-f][1]benzopyran-8,9,11-triol; 11-Me ether C21H20O4 336.136159 NA MeJP NA NA +MJ038036 2,3-Dihydro-5-hydroxy-6,8,8-trimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C21H20O4 336.136159 NA MeJP NA NA +MJ038037 4',7-Dihydroxy-3'-prenylisoflavone; 4'-Me ether C21H20O4 336.136159 NA MeJP NA NA +MJ038038 4',7-Dihydroxyisoflavone; 7-Me ether, 4'-O-(3-methyl-2-butenyl) C21H20O4 336.136159 NA MeJP NA NA +MJ038039 5,7-Dihydroxy-8-prenylflavone; 7-Me ether C21H20O4 336.136159 NA MeJP NA NA +MJ038040 7-Hydroxy-4'-methoxyisoflavone; 7-O-(3-Methyl-2-butenyl) C21H20O4 336.136159 NA MeJP NA NA +MJ038041 8-(3-Phenyl-1-oxo-2-propenyl)-5,7-dihydroxy-2,2,6-trimethyl-2H-1-benzopyran C21H20O4 336.136159 NA MeJP NA NA +MJ038042 Bergamottin; ?5'-Isomer, 7',8'-didehydro C21H20O4 336.136159 NA MeJP NA NA +MJ038043 Bungone B C21H20O4 336.136159 NA MeJP NA NA +MJ038044 Crassichalcone C21H20O4 336.136159 NA MeJP NA NA +MJ038045 Curcumin III C21H20O4 336.136159 NA MeJP NA NA +MJ038046 Danshenol A C21H20O4 336.136159 NA MeJP NA NA +MJ038047 Danshenxinkun D C21H20O4 336.136159 NA MeJP NA NA +MJ038048 Isobavachromene; 4''-Me ether C21H20O4 336.136159 NA MeJP NA NA +MJ038049 Isolonchocarpin, 6-Methoxy C21H20O4 336.136159 NA MeJP NA NA +MJ038050 Isolonchocarpin, 4'-Methoxy C21H20O4 336.136159 NA MeJP NA NA +MJ038051 Lanceolatin A C21H20O4 336.136159 NA MeJP NA NA +MJ038052 Licoagrochalcone B C21H20O4 336.136159 NA MeJP NA NA +MJ038053 Obovatin, Me ether C21H20O4 336.136159 NA MeJP NA NA +MJ038054 Ovalichromene C21H20O4 336.136159 NA MeJP NA NA +MJ038055 Pongachalcone I C21H20O4 336.136159 NA MeJP NA NA +MJ038056 Purpurenone C21H20O4 336.136159 NA MeJP NA NA +MJ038057 Shinpterocarpin, Me ether C21H20O4 336.136159 NA MeJP NA NA +MJ038058 Tephroleocarpin B C21H20O4 336.136159 NA MeJP NA NA +MJ038059 Tetradehydroisogalcatin C21H20O4 336.136159 NA MeJP NA NA +C02590 Steroid O-sulfate C18H24O4S 336.1395 NA KEGG NA NA +MetaCyc02949 steroid O sulfate [phenolic steroid O-sulfate;] C18H24O4S1 336.13953 NA metacyc NA NA +PJ000374 GNF C15H20N4O5 336.1434 NA PeJP NA NA +PJ000375 SCK C12H24N4O5S 336.1468 NA PeJP NA NA +MJ038060 3-p-Anisylidene-6-benzylidene-2,5-piperazinedione, 6,7-Dihydro, N4-Me C20H20N2O3 336.147392 NA MeJP NA NA +MJ038061 Denpidazone C20H20N2O3 336.147392 NA MeJP NA NA +MJ038062 Elliptinium(1+); Acetate C20H20N2O3 336.147392 NA MeJP NA NA +MJ038063 Gelsemine; 21-Oxo C20H20N2O3 336.147392 NA MeJP NA NA +MJ038064 Magniflorine C20H20N2O3 336.147392 NA MeJP NA NA +MJ038065 Mappicine, 9-Methoxy C20H20N2O3 336.147392 NA MeJP NA NA +MJ038066 Naucleidinal C20H20N2O3 336.147392 NA MeJP NA NA +MJ038067 Schizozygine C20H20N2O3 336.147392 NA MeJP NA NA +MJ038068 Strictine C20H20N2O3 336.147392 NA MeJP NA NA +MJ038069 Tronocarpine C20H20N2O3 336.147392 NA MeJP NA NA +MJ038070 Tryptamine; Nb-(4-Hydroxy-3-methoxycinnamoyl) C20H20N2O3 336.147392 NA MeJP NA NA +C03032 alpha-Cyclopiazonate C20H20N2O3 336.1474 NA KEGG NA NA +C03033 beta-D-Glucuronoside C6H9O7R 336.1474 NA KEGG NA NA +7865 peptide from Alaska pollack frame protein (Theragra chalcogramma) LPHSGY 336.155 MH2+ Inhouse_peptide NA peptide +MJ038071 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-Propanoyl C18H24O6 336.157288 NA MeJP NA NA +MJ038072 15-Hydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, Me ester, Ac C18H24O6 336.157288 NA MeJP NA NA +MJ038073 3-Ethoxy-5-hydroxy-4-(hydroxymethyl)-7-methoxy-6-methyl-1(3H)-isobenzofuranone; O5-(3-Methyl-2-butenyl) C18H24O6 336.157288 NA MeJP NA NA +MJ038074 4,8,10-Trihydroxy-6,11(13)-guaiadien-12,6-olide, 10-Me ether, 8-Ac C18H24O6 336.157288 NA MeJP NA NA +MJ038075 5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran; 2'',3''-Dihydro, 1'',2'',3''-trihydroxy C18H24O6 336.157288 NA MeJP NA NA +MJ038076 8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether, 3'-O-(1-hydroxyisopropyl) C18H24O6 336.157288 NA MeJP NA NA +MJ038077 Epoxyconiferyl alcohol; 1,4'-Bis-O-(2-methylpropanoyl) C18H24O6 336.157288 NA MeJP NA NA +MJ038078 Fleuryilactone C18H24O6 336.157288 NA MeJP NA NA +MJ038079 Illudacetalic acid C18H24O6 336.157288 NA MeJP NA NA +MJ038080 Mexoticin, 3'-Et ether C18H24O6 336.157288 NA MeJP NA NA +MJ038081 Sessiliflorene C18H24O6 336.157288 NA MeJP NA NA +MJ038082 Sessiliflorol A C18H24O6 336.157288 NA MeJP NA NA +MJ038083 Sessiliflorol B C18H24O6 336.157288 NA MeJP NA NA +MJ038084 Tetrodecamycin; 4?,5-Dihydro C18H24O6 336.157288 NA MeJP NA NA +MJ038085 Nuvenzepine C19H20N4O2 336.158625 NA MeJP NA NA +MJ038086 Rispenzepine C19H20N4O2 336.158625 NA MeJP NA NA +3720 NA WWPKG 336.1625 MH2+ Inhouse_peptide NA peptide +MJ038087 N-Carboxymethylphenylalanylleucine C17H24N2O5 336.168521 NA MeJP NA NA +MJ038088 1,16-Diisothiocyanato-1,15-hexadecadiene C18H28N2S2 336.16939 NA MeJP NA NA +FL6FWXNI0001 Tephrowatsin B C22H24O3 336.17254 97640-80-7 knapsack NA NA +MJ038089 21-Oxo-3,5,7,9,11,13,15,17,19-docosanonaenoic acid C22H24O3 336.172544 NA MeJP NA NA +MJ038090 5,7-Dihydroxy-8-prenyl-3-flavene, Di-Me ether C22H24O3 336.172544 NA MeJP NA NA +MJ038091 Asperrubrol C22H24O3 336.172544 NA MeJP NA NA +CJpos0764 Lysine [(2M-H)+2Na]+ C12H27O4N4Na2 336.174375 C18rt(min)=0.8 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0764 Lysine [(2M-H)+2Na]+ C12H27O4N4Na2 336.174375 C18rt(min)=0.8 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ038092 2-Hydroxy-7(11)-eremophilen-8-one, O-(3-Methylthio-2Z-propenoyl) C19H28O3S 336.175915 NA MeJP NA NA +MJ038093 6-Deoxy-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-D-ribo-hexose; ?-D-Pyranose-form, Me glycoside, 3,3'-di-Me C15H28O8 336.178417 NA MeJP NA NA +MJ038094 Pachybiose; ?-Pyranose-form, Me glycoside C15H28O8 336.178417 NA MeJP NA NA +MJ038095 Antibiotic SF 2768 C16H24N4O4 336.179755 NA MeJP NA NA +MJ038096 1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine C21H24N2O2 336.183778 NA MeJP NA NA +MJ038097 ?-Tabersonine C21H24N2O2 336.183778 NA MeJP NA NA +MJ038098 Alstonerine C21H24N2O2 336.183778 NA MeJP NA NA +MJ038099 Apovincamine C21H24N2O2 336.183778 NA MeJP NA NA +MJ038100 Caracurine IV C21H24N2O2 336.183778 NA MeJP NA NA +MJ038101 Caracurine VII; Deoxy, Na-Ac C21H24N2O2 336.183778 NA MeJP NA NA +MJ038102 Catharanthine C21H24N2O2 336.183778 NA MeJP NA NA +MJ038103 Coronaridine, 5,6-Didehydro C21H24N2O2 336.183778 NA MeJP NA NA +MJ038104 Isostrychnine; 19,20-Dihydro C21H24N2O2 336.183778 NA MeJP NA NA +MJ038105 Kopsanol; Na-Formyl C21H24N2O2 336.183778 NA MeJP NA NA +MJ038106 Pericyclivine; 16-Epimer, N1-Me C21H24N2O2 336.183778 NA MeJP NA NA +MJ038107 Pericyclivine; N1-Me C21H24N2O2 336.183778 NA MeJP NA NA +MJ038108 Purpeline C21H24N2O2 336.183778 NA MeJP NA NA +MJ038109 Rauflorine; 11-Methoxy, N-Me C21H24N2O2 336.183778 NA MeJP NA NA +MJ038110 Retulinal C21H24N2O2 336.183778 NA MeJP NA NA +MJ038111 Tabersonine C21H24N2O2 336.183778 NA MeJP NA NA +MJ038112 Tacamine; 16,17-Anhydro C21H24N2O2 336.183778 NA MeJP NA NA +MJ038113 Talcarpine; 19,20-Didehydro C21H24N2O2 336.183778 NA MeJP NA NA +MJ038114 Tetraphyllicine; N-De-Me, O-Ac C21H24N2O2 336.183778 NA MeJP NA NA +MJ038115 Tronoharine C21H24N2O2 336.183778 NA MeJP NA NA +MJ038116 Vellosimine; 10-Methoxy, N1-Me C21H24N2O2 336.183778 NA MeJP NA NA +MJ038117 Venalstonine C21H24N2O2 336.183778 NA MeJP NA NA +MJ038118 Vindolinine C21H24N2O2 336.183778 NA MeJP NA NA +MJ038119 Akuammicine, Nb-Me C21H25N2O2(+) 336.183778 NA MeJP NA NA +MJ038120 Pericyclivine; 16-Epimer, Nb-Me C21H25N2O2(+) 336.183778 NA MeJP NA NA +MJ038121 Pleiocarpamine; N4-Me C21H25N2O2(+) 336.183778 NA MeJP NA NA +MJ038122 Strictamine; Nb-Me C21H25N2O2(+) 336.183778 NA MeJP NA NA +MetaCyc02950 tabersonine [] C21H24N2O2 336.183778 NA metacyc NA NA +C09035 Apovincamine C21H24N2O2 336.1838 NA KEGG NA NA +C09107 Catharanthine C21H24N2O2 336.1838 NA KEGG NA NA +C09244 Tabersonine C21H24N2O2 336.1838 NA KEGG NA NA +3508 ACE inhibitor (b-Lg 9-14) GLDIQK 336.18395 MH2+ Inhouse_peptide NA peptide +C15358 4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one C20H29ClO2 336.1856 NA KEGG NA NA +MJ038123 Diptocarpidine; S-Deoxy C15H32N2O2S2 336.190519 NA MeJP NA NA +MJ038124 1,10:4,5-Diepoxy-8-hydroxy-7(11)-germacren-12,8-olide, 8-(2-Methylpropyl) C19H28O5 336.193674 NA MeJP NA NA +MJ038125 1,8-Dihydroxy-4(15)-eudesmen-12,6-olide, 1-(2-Methylpropanoyl) C19H28O5 336.193674 NA MeJP NA NA +MJ038126 10(14)-Aromadendrene-2,3,4-triol, 2,3-Di-Ac C19H28O5 336.193674 NA MeJP NA NA +MJ038127 10,14-Epoxy-2,3-seco-4(15)-aromadendrene-2,3-diol, Di-Ac C19H28O5 336.193674 NA MeJP NA NA +MJ038128 11,12-Epoxy-7-drimene-1,11-diol, Di-Ac C19H28O5 336.193674 NA MeJP NA NA +MJ038129 11,12-Epoxy-8(12)-drimene-7,11-diol, Di-Ac C19H28O5 336.193674 NA MeJP NA NA +MJ038130 2,11-Dihydroxy-7-drimen-12-al; 2?-form, Di-Ac C19H28O5 336.193674 NA MeJP NA NA +MJ038131 2,8-Neolemnadiene-4,5,10-triol, 4,10-Di-Ac C19H28O5 336.193674 NA MeJP NA NA +MJ038132 3(15)-Gymnomitrene-1,10-diol, 3?,15-Epoxide, di-Ac C19H28O5 336.193674 NA MeJP NA NA +MJ038133 3-Gymnomitrene-1,10,15-triol, 1,10-Di-Ac C19H28O5 336.193674 NA MeJP NA NA +MJ038134 4,9-Dihydroxy-10(14)-oplopen-4-one, Di-Ac C19H28O5 336.193674 NA MeJP NA NA +MJ038135 5,10-Epoxy-9-hydroxy-11(13)-germacren-12,8-olide, 2-Methylpropanoyl C19H28O5 336.193674 NA MeJP NA NA +MJ038136 9,12,13-Trihydroxy-17-nor-11,16-kauranedione C19H28O5 336.193674 NA MeJP NA NA +MJ038137 9,13-Epoxy-4-hydroxy-19-nor-6-oxo-7-labden-15-oic acid C19H28O5 336.193674 NA MeJP NA NA +MJ038138 Fukinolidiol; 1-(2-Methylpropanoyl) C19H28O5 336.193674 NA MeJP NA NA +MJ038139 Fukinolidiol; 9-(2-Methylpropanoyl) C19H28O5 336.193674 NA MeJP NA NA +MJ038140 Hymenoxon; 3-Deoxy, 8-epimer, 4-(2-methylpropanoyl) C19H28O5 336.193674 NA MeJP NA NA +MJ038141 Zafronic acid; O10-Et, 3-Ac C19H28O5 336.193674 NA MeJP NA NA +C17983 Istamycin KL1 C13H28N4O6 336.2009 NA KEGG NA NA +C06803 Acebutolol C18H28N2O4 336.2049 NA KEGG NA NA +MJ038142 Acebutolol C18H28N2O4 336.204907 NA MeJP NA NA +MJ038143 14,20-Tricosadiene-3,5,10,12,22-pentayne-1,2-diol, 12,13,14,15-Tetrahydro C23H28O2 336.20893 NA MeJP NA NA +MJ038144 Pelretin C23H28O2 336.20893 NA MeJP NA NA +MJ038145 Fluoxymesterone C20H29FO3 336.210072 NA MeJP NA NA +MJ038146 Fentanyl C22H28N2O 336.220163 NA MeJP NA NA +MJ038147 5-Hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoate C20H32O4 336.230059 NA MeJP NA NA +MJ038148 15-HPETE C20H32O4 336.230059 NA MeJP NA NA +MJ038149 Leukotriene B4 C20H32O4 336.230059 NA MeJP NA NA +MJ038150 1(10)-Halimene-15,19-dioic acid; ent-form C20H32O4 336.230059 NA MeJP NA NA +MJ038151 1,14-Thapsanediol, 1-(3-Methyl-2-butenoyl) C20H32O4 336.230059 NA MeJP NA NA +MJ038152 1,16-Dihydroxy-2,6,10,14-phytatetraen-18-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038153 1,18-Dihydroxy-14-decipien-19-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038154 1,19-Dihydroxy-17-kauranoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038155 1,20-Dihydroxy-2,6,10,14-phytatetraen-18-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038156 1,3-Epoxy-4,8-dihydroxy-6-basmanone C20H32O4 336.230059 NA MeJP NA NA +MJ038157 1,4,9-Trihydroxy-2-dolasten-6-one C20H32O4 336.230059 NA MeJP NA NA +MJ038158 1,5,11-Trihydroxy-15-rosen-7-one C20H32O4 336.230059 NA MeJP NA NA +MJ038159 1,5,15-Trihydroxy-2,6,10,13-phytatetraen-12-one C20H32O4 336.230059 NA MeJP NA NA +MJ038160 1-(2,4,6-Trihydroxyphenyl)-1-tetradecanone C20H32O4 336.230059 NA MeJP NA NA +MJ038161 1-Hydroxy-12-oxo-2,6,14-phytatrien-19-al, ?13-Isomer, 15-hydroxy C20H32O4 336.230059 NA MeJP NA NA +MJ038162 10(20)-Grayanotoxene-3,5,6,16-tetrol C20H32O4 336.230059 NA MeJP NA NA +MJ038163 10,15-Dihydroxy-4-oplopanone; 15-Angeloyl C20H32O4 336.230059 NA MeJP NA NA +MJ038164 11,12-Epoxy-10-hydroxy-5,8,14-eicosatrienoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038165 11,12-Epoxy-4-hydroxy-7,15(17)-cembradien-16,3-olide, 15,17-Dihydro C20H32O4 336.230059 NA MeJP NA NA +MJ038166 11,12-Epoxy-8-hydroxy-5,9,14-eicosatrienoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038167 11-Eremophilene-2,8,9-triol, 9-Angeloyl C20H32O4 336.230059 NA MeJP NA NA +MJ038168 12,13-Dihydroxy-5,8,10,14,17-eicosapentaenoic acid, 17,18-Dihydro C20H32O4 336.230059 NA MeJP NA NA +MJ038169 12,13-Dihydroxy-8(14)-abieten-18-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038170 12,13-Dihydroxy-8(17),14-labdadien-19-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038171 12,15-Cassadiene-3,7,14,19-tetrol C20H32O4 336.230059 NA MeJP NA NA +MJ038172 12,15-Dihydroxy-8(17),13-labdadien-19-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038173 12,19-Dihydroxy-5,8,10,14-eicosatetraenoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038174 12,20-Dihydroxy-5,8,10,14-eicosatetraenoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038175 13,14,15,16-Tetranor-7-labdene-12,17-diol; Di-Ac C20H32O4 336.230059 NA MeJP NA NA +MJ038176 13,14-Epoxy-15-hydroxy-1(10)-halimen-18-oic acid; ent-form C20H32O4 336.230059 NA MeJP NA NA +MJ038177 13,16,17-Trihydroxy-3-atisanone C20H32O4 336.230059 NA MeJP NA NA +MJ038178 13,16-Dihydroxy-19-kauranoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038179 13,16-Dihydroxy-8(17),14-labdadien-18-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038180 13,16-Spatadiene-5,15,18,19-tetrol C20H32O4 336.230059 NA MeJP NA NA +MJ038181 13-Labdene-15,17-dioic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038182 14,15-Dihydroxy-1(10),13(16)-halimadien-19-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038183 14,15-Dihydroxy-5,8,10,12-eicosatetraenoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038184 14,15-Dihydroxy-8(17),13(16)-labdadien-19-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038185 14,16,17-Trihydroxy-3-atisanone C20H32O4 336.230059 NA MeJP NA NA +MJ038186 15,16,18-Trihydroxy-8(14)-pimaren-2-one C20H32O4 336.230059 NA MeJP NA NA +MJ038187 15,16-Dihydroxy-3,13-clerodadien-18-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038188 15,16-Dihydroxy-7,13-labdadien-18-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038189 15,16-Dihydroxy-8(17),13-labdadien-18-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038190 15,16-Epoxy-13(16),14-clerodadiene-2,3,4-triol C20H32O4 336.230059 NA MeJP NA NA +MJ038191 15,16-Epoxy-13(16),14-labdadiene-6,9,19-triol C20H32O4 336.230059 NA MeJP NA NA +MJ038192 15-Beyerene-3,7,14,18-tetrol C20H32O4 336.230059 NA MeJP NA NA +MJ038193 15-Hydroperoxy-5,8,11,13-eicosatetraenoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038194 15-Hydroxy-3,4-seco-4(18),7-labdadien-3-oic acid, 4,18-Dihydro, 13,14-didehydro(Z-), 15-carboxylic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038195 15-Hydroxy-7-oxo-5-halimen-18-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038196 15-Hydroxy-9-oxo-10,13-prostadienoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038197 15-Hydroxy-9-oxo-4,13-prostadienoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038198 15-Hydroxy-9-oxo-5,13-prostadienoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038199 15-Hydroxy-9-oxo-8(12),13-prostadienoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038200 15-Kaurene-3,7,17,18-tetrol C20H32O4 336.230059 NA MeJP NA NA +MJ038201 15-Kaurene-3,7,18-triol, 15?,16?-Epoxide C20H32O4 336.230059 NA MeJP NA NA +MJ038202 15-Kaurene-7,17,18-triol, 15?,16?-Epoxide C20H32O4 336.230059 NA MeJP NA NA +MJ038203 16,17,18-Aphidicolanetriol; 16?-form, 17-Carboxylic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038204 16,17,18-Aphidicolanetriol; 16?-form, 18-Carboxylic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038205 16,17,19-Kauranetriol, 19-Carboxylic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038206 16,17-Dihydroxy-20-kauranoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038207 16,18-Dihydroxy-3,13-clerodadien-15-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038208 16-Kaurene-2,13,14,15-tetrol C20H32O4 336.230059 NA MeJP NA NA +MJ038209 16-Kaurene-2,14,15,19-tetrol C20H32O4 336.230059 NA MeJP NA NA +MJ038210 16-Kaurene-2,6,14,15-tetrol C20H32O4 336.230059 NA MeJP NA NA +MJ038211 16-Kaurene-3,7,15,18-tetrol C20H32O4 336.230059 NA MeJP NA NA +MJ038212 17,18-Dihydroxy-19-kauranoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038213 2,11:8,11-Diepoxy-12(20)-capnosene-4,6-diol C20H32O4 336.230059 NA MeJP NA NA +MJ038214 2,15-Dihydroxy-1(10)-halimen-18-oic acid, 2-Ketone C20H32O4 336.230059 NA MeJP NA NA +MJ038215 2,16:3,7-Diepoxy-1(15),11-cembradiene-4,8-diol C20H32O4 336.230059 NA MeJP NA NA +MJ038216 2,17-Dihydroxy-7,13-labdadien-15-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038217 2,3,16,17-Kauranetetrol, 3-Ketone C20H32O4 336.230059 NA MeJP NA NA +MJ038218 2,3-Dihydroxy-8(17),13-labdadien-15-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038219 2,4-Dihydroxy-3-methyl-6-undecylbenzoic acid; 4-Me ether C20H32O4 336.230059 NA MeJP NA NA +MJ038220 2,5-Dihydroxy-3-methyl-6-tridecyl-1,4-benzoquinone C20H32O4 336.230059 NA MeJP NA NA +MJ038221 2,5-Dihydroxy-3-tetradecyl-1,4-benzoquinone C20H32O4 336.230059 NA MeJP NA NA +MJ038222 2,5-Dihydroxy-3-tridecyl-1,4-benzoquinone; 5-Me ether C20H32O4 336.230059 NA MeJP NA NA +MJ038223 2,6,10,14-Phytatetraene-1,12,19-triol, 12-Ketone, 6?,7?-epoxide C20H32O4 336.230059 NA MeJP NA NA +MJ038224 2,6,10,14-Phytatetraene-1,18,19-triol, 19-Carboxylic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038225 2,7-Dihydroxy-8(17),13-labdadien-15-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038226 2-Heptyl-1-cyclopropanepropanoic acid, 5-Acetoxy-1,3-pentadienyl ester (1Z,3E-) C20H32O4 336.230059 NA MeJP NA NA +MJ038227 3,12-Dihydroxy-1,10,14-phytatriene-5,13-dione C20H32O4 336.230059 NA MeJP NA NA +MJ038228 3,13-Clerodadiene-15,16,17-triol, 17-Carboxylic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038229 3,14-Thapsanediol, 3-Angeloyl C20H32O4 336.230059 NA MeJP NA NA +MJ038230 3,15,16-Trihydroxy-3-erythroxylen-2-one C20H32O4 336.230059 NA MeJP NA NA +MJ038231 3,18-Dihydroxy-8(17),13-labdadien-15-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038232 3,4-Dihydroxy-13-cleroden-15,16-olide C20H32O4 336.230059 NA MeJP NA NA +MJ038233 3,4-Dihydroxy-8-eudesmanone, 3-Angeloyl C20H32O4 336.230059 NA MeJP NA NA +MJ038234 3,4-Epoxy-2,15-clerodanediol, 2-Ketone, 15-carboxylic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038235 3,4:7,8-Diepoxy-12-dolabellene-14,18-diol C20H32O4 336.230059 NA MeJP NA NA +MJ038236 3,6-Dihydroxy-2-(1-oxo-10-tetradecenyl)-2-cyclohexen-1-one C20H32O4 336.230059 NA MeJP NA NA +MJ038237 3,8(17)-Dolabelladiene-2,7,16,18-tetrol, 7-Ketone C20H32O4 336.230059 NA MeJP NA NA +MJ038238 3-Clerodene-15,18,19-triol, 15-Carboxylic acid, 13,14-didehydro(E-) C20H32O4 336.230059 NA MeJP NA NA +MJ038239 3-Clerodene-15,18-diol, 15,18-Dicarboxylic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038240 3-Hydroperoxy-4(18),13-clerodadien-15-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038241 3-Hydroxy-17-oxo-13-labden-15-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038242 3-Hydroxy-4(15)-eudesmen-12-oic acid, 3-Methylbutanoyl C20H32O4 336.230059 NA MeJP NA NA +MJ038243 4(20),11-Taxadiene-5,9,10,13-tetrol C20H32O4 336.230059 NA MeJP NA NA +MJ038244 4,16-Dihydroxy-13-cleroden-15,16-olide C20H32O4 336.230059 NA MeJP NA NA +MJ038245 4,5-Epoxy-1(10)-germacrene-3,6-diol, 3-(3-Methyl-2-butenoyl) C20H32O4 336.230059 NA MeJP NA NA +MJ038246 4,5-Epoxy-1(10)-germacrene-3,6-diol, 3-Angeloyl C20H32O4 336.230059 NA MeJP NA NA +MJ038247 4,5-Epoxy-1(10)-germacrene-3,6-diol, 3-Tigloyl C20H32O4 336.230059 NA MeJP NA NA +MJ038248 4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-Angeloyl C20H32O4 336.230059 NA MeJP NA NA +MJ038249 4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-O-(3-Methyl-2-butenoyl) C20H32O4 336.230059 NA MeJP NA NA +MJ038250 4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-Tigloyl C20H32O4 336.230059 NA MeJP NA NA +MJ038251 4,6-Dihydroxy-8-daucen-10-one, 6-(2-Methylbutanoyl) C20H32O4 336.230059 NA MeJP NA NA +MJ038252 4-Hydroxy-12-oxo-11,12-seco-2,6-cembradien-11,8-olide C20H32O4 336.230059 NA MeJP NA NA +MJ038253 5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038254 5,14-Dihydroxy-3-visciden-20-oic acid; 14-Ketone C20H32O4 336.230059 NA MeJP NA NA +MJ038255 5,15-Dihydroxy-6,8,11,13-eicosatetraenoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038256 5,19-Dihydroxy-3,14-viscidadien-20-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038257 5,6-Dihydroxy-7,9,11,14-eicosatetraenoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038258 5,8-Dihydroxy-9-daucanone, 8-Angeloyl C20H32O4 336.230059 NA MeJP NA NA +MJ038259 5-Halimene-15,18-diol, 15,18-Dicarboxylic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038260 5-Hydroperoxy-3-prenyleudesmene-2,13-dione C20H32O4 336.230059 NA MeJP NA NA +MJ038261 5-Hydroperoxy-6,8,11,14-eicosatetraenoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038262 5-Tridecyl-1,3-benzenediol; 2'-Hydroxy, 8'-oxo, 3-Me ether C20H32O4 336.230059 NA MeJP NA NA +MJ038263 6,13-Dihydroxy-3,14-clerodadien-18-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038264 6,13-Epoxy-4(18),8(19)-eunicelladiene-9,12-diol, 9-Hydroperoxide C20H32O4 336.230059 NA MeJP NA NA +MJ038265 6,16,17-Trihydroxy-3-atisanone C20H32O4 336.230059 NA MeJP NA NA +MJ038266 6,17-Dihydroxy-3,4-seco-15-beyeren-3-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038267 6,18-Dihydroxy-3,13-clerodadien-15-oic acid, 15-Alcohol, 18-carboxylic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038268 6-Hydroperoxy-4,8,11,14-eicosatetraenoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038269 7,13-Labdadiene-15,16,17-triol, 15-Carboxylic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038270 7,15-Dihydroxy-3-cleroden-18,19-olide C20H32O4 336.230059 NA MeJP NA NA +MJ038271 7,16,17-Trihydroxy-3-atisanone C20H32O4 336.230059 NA MeJP NA NA +MJ038272 7,18-Dihydroxy-3-cleroden-15,16-olide C20H32O4 336.230059 NA MeJP NA NA +MJ038273 7,8-Dihydroxy-15-isopimaren-18-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038274 7,8:10,11-Diepoxy-4(16)-dolabellene-17,18-diol C20H32O4 336.230059 NA MeJP NA NA +MJ038275 7-Labdene-15,17-diol, 15,17-Dicarboxylic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038276 7-Labdene-15,18-dioic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038277 7-Labdene-15,19-dioic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038278 7-Labdene-2,3,15-triol, 15-Carboxylic acid, 2-ketone C20H32O4 336.230059 NA MeJP NA NA +MJ038279 7-Oxo-3-cleroden-15-oic acid; 6?-Hydroxy C20H32O4 336.230059 NA MeJP NA NA +MJ038280 7-Pimarene-2,3,15,16-tetrol, 2-Ketone C20H32O4 336.230059 NA MeJP NA NA +MJ038281 7-Pimarene-2,3,15,16-tetrol, 3-Ketone C20H32O4 336.230059 NA MeJP NA NA +MJ038282 7-Pimarene-3,15,16,18-tetrol, 3-Ketone C20H32O4 336.230059 NA MeJP NA NA +MJ038283 8(14),15-Isopimaradiene-2,3,18,19-tetrol C20H32O4 336.230059 NA MeJP NA NA +MJ038284 8(14)-Abietene-7,13,15,18-tetrol, 7-Ketone C20H32O4 336.230059 NA MeJP NA NA +MJ038285 8(14)-Pimarene-2,3,15,16-tetrol, 15-Ketone C20H32O4 336.230059 NA MeJP NA NA +MJ038286 8(17),13-Labdadiene-3,7,15-triol, 15-Carboxylic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038287 8(17)-Labdene-15,18-dioic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038288 8(17)-Labdene-15,19-diol, Dicarboxylic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038289 8,11-Epoxy-4,6-dihydroxy-12(20)-capnosen-2-one C20H32O4 336.230059 NA MeJP NA NA +MJ038290 8,12-Epoxy-13-labden-1-ol, 6?,11?-Dihydroxy, 1-ketone C20H32O4 336.230059 NA MeJP NA NA +MJ038291 8,12-Epoxy-5,11-dihydroxy-13-labden-1-one C20H32O4 336.230059 NA MeJP NA NA +MJ038292 8,13-Epoxy-2-hydroxy-14-colensen-3-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038293 8,13-Epoxy-6,7-dihydroxy-14-labden-11-one C20H32O4 336.230059 NA MeJP NA NA +MJ038294 8,13-Epoxy-6,9-dihydroxy-14-labden-11-one C20H32O4 336.230059 NA MeJP NA NA +MJ038295 8,14-Epoxy-2,8-dihydroxy-8,9-seco-1(15)-dolasten-9-one C20H32O4 336.230059 NA MeJP NA NA +MJ038296 8,14-Epoxy-4,8-dihydroxy-8,9-seco-1(15)-dolasten-9-one C20H32O4 336.230059 NA MeJP NA NA +MJ038297 8,14-Epoxy-7,8-dihydroxy-8,9-seco-1(15)-dolasten-9-one C20H32O4 336.230059 NA MeJP NA NA +MJ038298 8,14-Thapsanediol, 8-(3-Methylbutenoyl) C20H32O4 336.230059 NA MeJP NA NA +MJ038299 8,14-Thapsanediol, 8-Angeloyl C20H32O4 336.230059 NA MeJP NA NA +MJ038300 8,15-Dihydroxy-13-abieten-19-oic cid C20H32O4 336.230059 NA MeJP NA NA +MJ038301 8,15-Epoxy-3,12,16-pimaranetriol, 3-Ketone C20H32O4 336.230059 NA MeJP NA NA +MJ038302 8-Daucene-2,4,6-triol, 2-Angeloyl C20H32O4 336.230059 NA MeJP NA NA +MJ038303 8-Daucene-4,6,10-triol, 6-Angeloyl C20H32O4 336.230059 NA MeJP NA NA +MJ038304 8-Methylpodopyrone; 1'-Oxo C20H32O4 336.230059 NA MeJP NA NA +MJ038305 8-Methylpodopyrone; 10'-Oxo C20H32O4 336.230059 NA MeJP NA NA +MJ038306 8-Methylpodopyrone; 9'-Oxo C20H32O4 336.230059 NA MeJP NA NA +MJ038307 9,13-Epoxy-17-hydroxy-7-labden-15-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038308 9,13-Epoxy-18-hydroxy-7-labden-15-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038309 9,13-Epoxy-19-hydroxy-7-labden-15-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038310 9,13-Epoxy-3-hydroxy-7-labden-15-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038311 9,13-Epoxy-6-hydroxy-7-labden-15-oic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038312 9,13-Epoxy-7-labden-15-oic acid, 7?,8?-Epoxide C20H32O4 336.230059 NA MeJP NA NA +MJ038313 9-Hydroperoxy-5,7,11,14-eicosatetraenoic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038314 Acanthoaustralide C20H32O4 336.230059 NA MeJP NA NA +MJ038315 Betulachrysoquinone hemiketal C20H32O4 336.230059 NA MeJP NA NA +MJ038316 Constanolactone C; 17,18-Dihydro C20H32O4 336.230059 NA MeJP NA NA +MJ038317 Constanolactone C; 9-Epimer, 17,18-dihydro C20H32O4 336.230059 NA MeJP NA NA +MJ038318 Constanolactone G; 11-Epimer, 17,18-dihydro C20H32O4 336.230059 NA MeJP NA NA +MJ038319 Constanolactone G; 17,18-Dihydro C20H32O4 336.230059 NA MeJP NA NA +MJ038320 Dimerobrasiolide C20H32O4 336.230059 NA MeJP NA NA +MJ038321 Fexerol; 1-Tigloyl C20H32O4 336.230059 NA MeJP NA NA +MJ038322 Florether A C20H32O4 336.230059 NA MeJP NA NA +MJ038323 Floridicin; 16-Alcohol C20H32O4 336.230059 NA MeJP NA NA +MJ038324 Garberic acid C20H32O4 336.230059 NA MeJP NA NA +MJ038325 Halicholactone C20H32O4 336.230059 NA MeJP NA NA +MJ038326 Haploparvone; 5?-Hydroxy C20H32O4 336.230059 NA MeJP NA NA +MJ038327 Indicol C20H32O4 336.230059 NA MeJP NA NA +MJ038328 Pilosanone A; 18-Hydroxy C20H32O4 336.230059 NA MeJP NA NA +MJ038329 Podoblastin B C20H32O4 336.230059 NA MeJP NA NA +MJ038330 Portulal C20H32O4 336.230059 NA MeJP NA NA +MJ038331 Portulene C20H32O4 336.230059 NA MeJP NA NA +MJ038332 Premarrubenol C20H32O4 336.230059 NA MeJP NA NA +MJ038333 Prostaglandin C3; 5,6,17,18-Tetrahydro C20H32O4 336.230059 NA MeJP NA NA +MJ038334 Shahamin E C20H32O4 336.230059 NA MeJP NA NA +MJ038335 Udoteatrial C20H32O4 336.230059 NA MeJP NA NA +MJ038336 ?-Hydroxy-2-(1-oxo-2,6-dodecadienyl)cyclopropanepentanoic acid C20H32O4 336.230059 NA MeJP NA NA +EUR145 12-hydroxyperoxyeicosatetraenoicacid(12-HPETE) C20H32O4 336.23006 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR150 LeukotrieneB4(LTB4) C20H32O4 336.23006 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR165 ProstaglandinA1(PGA1) C20H32O4 336.23006 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR167 ProstaglandinB1(PGB1) C20H32O4 336.23006 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR169 ProstaglandinC1(PGC1) C20H32O4 336.23006 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR145 12-hydroxyperoxyeicosatetraenoicacid(12-HPETE) C20H32O4 336.23006 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR150 LeukotrieneB4(LTB4) C20H32O4 336.23006 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR165 ProstaglandinA1(PGA1) C20H32O4 336.23006 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR167 ProstaglandinB1(PGB1) C20H32O4 336.23006 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR169 ProstaglandinC1(PGC1) C20H32O4 336.23006 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR145 12-hydroxyperoxyeicosatetraenoicacid(12-HPETE) C20H32O4 336.23006 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR150 LeukotrieneB4(LTB4) C20H32O4 336.23006 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR165 ProstaglandinA1(PGA1) C20H32O4 336.23006 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR167 ProstaglandinB1(PGB1) C20H32O4 336.23006 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR169 ProstaglandinC1(PGC1) C20H32O4 336.23006 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR145 12-hydroxyperoxyeicosatetraenoicacid(12-HPETE) C20H32O4 336.23006 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR150 LeukotrieneB4(LTB4) C20H32O4 336.23006 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR165 ProstaglandinA1(PGA1) C20H32O4 336.23006 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR167 ProstaglandinB1(PGB1) C20H32O4 336.23006 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR169 ProstaglandinC1(PGC1) C20H32O4 336.23006 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR145 12-hydroxyperoxyeicosatetraenoicacid(12-HPETE) C20H32O4 336.23006 Wishlist HMDB NA NA +EUR150 LeukotrieneB4(LTB4) C20H32O4 336.23006 Wishlist HMDB NA NA +EUR165 ProstaglandinA1(PGA1) C20H32O4 336.23006 Wishlist HMDB NA NA +EUR167 ProstaglandinB1(PGB1) C20H32O4 336.23006 Wishlist HMDB NA NA +EUR169 ProstaglandinC1(PGC1) C20H32O4 336.23006 Wishlist HMDB NA NA +EUR145 12-hydroxyperoxyeicosatetraenoicacid(12-HPETE) C20H32O4 336.23006 Wishlist Inhouse_PFEM NA NA +EUR150 LeukotrieneB4(LTB4) C20H32O4 336.23006 Wishlist Inhouse_PFEM NA NA +EUR165 ProstaglandinA1(PGA1) C20H32O4 336.23006 Wishlist Inhouse_PFEM NA NA +EUR167 ProstaglandinB1(PGB1) C20H32O4 336.23006 Wishlist Inhouse_PFEM NA NA +EUR169 ProstaglandinC1(PGC1) C20H32O4 336.23006 Wishlist Inhouse_PFEM NA NA +MetaCyc02951 (5Z,9E,14Z)-(8XI,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate [] C20H32O4 336.23006 NA metacyc NA NA +MetaCyc02952 (6z,8e,10e,14z)-(5s,12r)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate [] C20H32O4 336.23006 71160-24-2 metacyc NA NA +MetaCyc02953 (6E,8Z,11Z,14Z)-(5s)-5-hydroperoxycosa-6,8,11,14-tetraenoate [] C20H32O4 336.23006 NA metacyc NA NA +MetaCyc02954 (5Z,9E,11Z,14Z)-(8R)-8-hydroperoxyicosa-5,9,11,14-tetraenoate [] C20H32O4 336.23006 NA metacyc NA NA +MetaCyc02955 (5Z,8Z,11Z,13E)-(15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoate [] C20H32O4 336.23006 NA metacyc NA NA +MetaCyc02956 (5Z,8Z,10E,14Z)-(12S)-12-hydroperoxyicosa-5,8,10,14-tetraenoate [] C20H32O4 336.23006 NA metacyc NA NA +MetaCyc02957 (13E)-(15S)-15-hydroxy-9-oxoprosta-11,13-dienoate [prostaglandin C1;] C20H32O4 336.23006 NA metacyc NA NA +MetaCyc02958 (13E)-(15S)-15-hydroxy-9-oxoprosta-10,13-dienoate [prostaglandin A1;PGA1;] C20H32O4 336.23006 NA metacyc NA NA +EUR145 12-hydroxyperoxyeicosatetraenoicacid(12-HPETE) C20H32O4 336.23006 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR150 LeukotrieneB4(LTB4) C20H32O4 336.23006 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR165 ProstaglandinA1(PGA1) C20H32O4 336.23006 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR167 ProstaglandinB1(PGB1) C20H32O4 336.23006 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR169 ProstaglandinC1(PGC1) C20H32O4 336.23006 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR145 12-hydroxyperoxyeicosatetraenoicacid(12-HPETE) C20H32O4 336.23006 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR150 LeukotrieneB4(LTB4) C20H32O4 336.23006 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR165 ProstaglandinA1(PGA1) C20H32O4 336.23006 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR167 ProstaglandinB1(PGB1) C20H32O4 336.23006 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR169 ProstaglandinC1(PGC1) C20H32O4 336.23006 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB01085 Leukotriene B4 C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB01085 PFEM_hmdb_metabocards_urine NA urine +HMDB01085 Leukotriene B4 C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB01085 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02656 Prostaglandin A1 C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB02656 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01085 Leukotriene B4 C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB01085 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01085 Leukotriene B4 C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB01085 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01085 Leukotriene B4 C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB01085 HMDB NA NA +HMDB01193 5(S)-Hydroperoxyeicosatetraenoic acid C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB01193 HMDB NA NA +HMDB02236 8-iso-PGA1 C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB02236 HMDB NA NA +HMDB02656 Prostaglandin A1 C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB02656 HMDB NA NA +HMDB02982 Prostaglandin B1 C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB02982 HMDB NA NA +HMDB04243 12(S)-HPETE C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB04243 HMDB NA NA +HMDB04244 15(S)-HPETE C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB04244 HMDB NA NA +HMDB04688 Hepoxilin A3 C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB04688 HMDB NA NA +HMDB04690 Hepoxilin B3 C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB04690 HMDB NA NA +HMDB04692 12(R)-HPETE C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB04692 HMDB NA NA +HMDB04693 11H-14,15-EETA C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB04693 HMDB NA NA +HMDB04696 11(R)-HPETE C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB04696 HMDB NA NA +HMDB04699 8(S)-HPETE C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB04699 HMDB NA NA +HMDB05050 15H-11,12-EETA C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB05050 HMDB NA NA +HMDB05087 6-trans-Leukotriene B4 C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB05087 HMDB NA NA +HMDB05088 6-trans-12-epi-Leukotriene B4 C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB05088 HMDB NA NA +HMDB05089 12(S)-Leukotriene B4 C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB05089 HMDB NA NA +HMDB01085 Leukotriene B4 C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB01085 PFEM_hmdb_metabocards_blood NA blood +HMDB02656 Prostaglandin A1 C20H32O4 336.23007 http://www.hmdb.ca/metabolites/HMDB02656 PFEM_hmdb_metabocards_blood NA blood +HMDB01085 Leukotriene B4 C20H32O4 336.23007 HMDB01085 PFEM_hmdb_metabocards_official NA NA +HMDB01193 5(S)-Hydroperoxyeicosatetraenoic acid C20H32O4 336.23007 HMDB01193 PFEM_hmdb_metabocards_official NA NA +HMDB02236 8-iso-PGA1 C20H32O4 336.23007 HMDB02236 PFEM_hmdb_metabocards_official NA NA +HMDB02656 Prostaglandin A1 C20H32O4 336.23007 HMDB02656 PFEM_hmdb_metabocards_official NA NA +HMDB02982 Prostaglandin B1 C20H32O4 336.23007 HMDB02982 PFEM_hmdb_metabocards_official NA NA +HMDB04243 12(S)-HPETE C20H32O4 336.23007 HMDB04243 PFEM_hmdb_metabocards_official NA NA +HMDB04244 15(S)-HPETE C20H32O4 336.23007 HMDB04244 PFEM_hmdb_metabocards_official NA NA +HMDB04688 Hepoxilin A3 C20H32O4 336.23007 HMDB04688 PFEM_hmdb_metabocards_official NA NA +HMDB04690 Hepoxilin B3 C20H32O4 336.23007 HMDB04690 PFEM_hmdb_metabocards_official NA NA +HMDB04692 12(R)-HPETE C20H32O4 336.23007 HMDB04692 PFEM_hmdb_metabocards_official NA NA +HMDB04693 11H-14,15-EETA C20H32O4 336.23007 HMDB04693 PFEM_hmdb_metabocards_official NA NA +HMDB04696 11(R)-HPETE C20H32O4 336.23007 HMDB04696 PFEM_hmdb_metabocards_official NA NA +HMDB04699 8(S)-HPETE C20H32O4 336.23007 HMDB04699 PFEM_hmdb_metabocards_official NA NA +HMDB05050 15H-11,12-EETA C20H32O4 336.23007 HMDB05050 PFEM_hmdb_metabocards_official NA NA +HMDB05087 6-trans-Leukotriene B4 C20H32O4 336.23007 HMDB05087 PFEM_hmdb_metabocards_official NA NA +HMDB05088 6-trans-12-epi-Leukotriene B4 C20H32O4 336.23007 HMDB05088 PFEM_hmdb_metabocards_official NA NA +HMDB05089 12(S)-Leukotriene B4 C20H32O4 336.23007 HMDB05089 PFEM_hmdb_metabocards_official NA NA +HMDB01085 Leukotriene B4 C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB01193 5(S)-Hydroperoxyeicosatetraenoic acid C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB02236 8-iso-PGA1 C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB02656 Prostaglandin A1 C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB02982 Prostaglandin B1 C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB04243 12(S)-HPETE C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB04244 15(S)-HPETE C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB04688 Hepoxilin A3 C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB04690 Hepoxilin B3 C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB04692 12(R)-HPETE C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB04693 11H-14,15-EETA C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB04696 11(R)-HPETE C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB04699 8(S)-HPETE C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB05050 15H-11,12-EETA C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB05087 6-trans-Leukotriene B4 C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB05088 6-trans-12-epi-Leukotriene B4 C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB05089 12(S)-Leukotriene B4 C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB10204 14,15-DiHETE C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB10211 17,18-DiHETE C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB10216 5,15-DiHETE C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB10219 8,15-DiHETE C20H32O4 336.230072 NA HMDB2010 NA NA +HMDB11135 5-HPETE C20H32O4 336.230072 NA HMDB2010 NA NA +EUR145 12-hydroxyperoxyeicosatetraenoicacid(12-HPETE) C20H32O4 336.2301 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR150 LeukotrieneB4(LTB4) C20H32O4 336.2301 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR165 ProstaglandinA1(PGA1) C20H32O4 336.2301 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR167 ProstaglandinB1(PGB1) C20H32O4 336.2301 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR169 ProstaglandinC1(PGC1) C20H32O4 336.2301 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR145 12-hydroxyperoxyeicosatetraenoicacid(12-HPETE) C20H32O4 336.2301 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR150 LeukotrieneB4(LTB4) C20H32O4 336.2301 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR165 ProstaglandinA1(PGA1) C20H32O4 336.2301 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR167 ProstaglandinB1(PGB1) C20H32O4 336.2301 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR169 ProstaglandinC1(PGC1) C20H32O4 336.2301 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR145 12-hydroxyperoxyeicosatetraenoicacid(12-HPETE) C20H32O4 336.2301 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR150 LeukotrieneB4(LTB4) C20H32O4 336.2301 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR165 ProstaglandinA1(PGA1) C20H32O4 336.2301 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR167 ProstaglandinB1(PGB1) C20H32O4 336.2301 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR169 ProstaglandinC1(PGC1) C20H32O4 336.2301 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR145 12-hydroxyperoxyeicosatetraenoicacid(12-HPETE) C20H32O4 336.2301 Wishlist Inhousejuil11 NA NA +EUR150 LeukotrieneB4(LTB4) C20H32O4 336.2301 Wishlist Inhousejuil11 NA NA +EUR165 ProstaglandinA1(PGA1) C20H32O4 336.2301 Wishlist Inhousejuil11 NA NA +EUR167 ProstaglandinB1(PGB1) C20H32O4 336.2301 Wishlist Inhousejuil11 NA NA +EUR169 ProstaglandinC1(PGC1) C20H32O4 336.2301 Wishlist Inhousejuil11 NA NA +C00959 Prostaglandin B1 C20H32O4 336.2301 NA KEGG NA NA +C00960 RNA 5'-phosphate C10H18O13P2R2 336.2301 NA KEGG NA NA +C02165 Leukotriene B4 C20H32O4 336.2301 NA KEGG NA NA +C04685 (13E)-(15S)-15-Hydroxy-9-oxoprosta-10,13-dienoate C20H32O4 336.2301 NA KEGG NA NA +C04686 (13E)-(15S)-15-Hydroxy-9-oxoprosta-11,13-dienoate C20H32O4 336.2301 NA KEGG NA NA +C04822 8(R)-HPETE C20H32O4 336.2301 NA KEGG NA NA +C04849 (5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoic C20H32O4 336.2301 NA KEGG NA NA +C04850 1,3-beta-D-Galactosyl-(alpha-1,4-L-fucosyl)-N-acetyl-D-glucosaminyl- C20H34NO15R 336.2301 NA KEGG NA NA +C05356 5(S)-HPETE C20H32O4 336.2301 NA KEGG NA NA +C05357 Oxidized azurin C20H32O4 336.2301 NA KEGG NA NA +C05358 Reduced azurin C20H32O4 336.2301 NA KEGG NA NA +C05359 e- C20H32O4 336.2301 NA KEGG NA NA +C05965 12(S)-HPETE C20H32O4 336.2301 NA KEGG NA NA +C05966 15(S)-HPETE C20H32O4 336.2301 NA KEGG NA NA +C05970 Glyceroglycolipid C20H32O4 336.2301 NA KEGG NA NA +C05971 L-Lysophosphatidylethanolamine C20H32O4 336.2301 NA KEGG NA NA +C05973 2-Acyl-sn-glycero-3-phosphoethanolamine C6H13NO7PR 336.2301 NA KEGG NA NA +C05974 2-Acyl-sn-glycero-3-phosphoserine C7H13NO9PR 336.2301 NA KEGG NA NA +C05976 Aminoacyl-phosphatidylglycerol C10H15NO11PR3 336.2301 NA KEGG NA NA +C05977 2-Acyl-1-alkyl-sn-glycero-3-phosphate C4H7O7PR2 336.2301 NA KEGG NA NA +C09087 Diterpenoid SP-II C20H32O4 336.2301 NA KEGG NA NA +C09175 Portulal C20H32O4 336.2301 NA KEGG NA NA +C14781 15H-11,12-EETA C20H32O4 336.2301 NA KEGG NA NA +C14808 Hepoxilin A3 C20H32O4 336.2301 NA KEGG NA NA +C14810 Hepoxilin B3 C20H32O4 336.2301 NA KEGG NA NA +C14812 12(R)-HPETE C20H32O4 336.2301 NA KEGG NA NA +C14813 11H-14,15-EETA C20H32O4 336.2301 NA KEGG NA NA +C14820 11(R)-HPETE C20H32O4 336.2301 NA KEGG NA NA +C14821 9(S)-HPETE C20H32O4 336.2301 NA KEGG NA NA +C14823 8(S)-HPETE C20H32O4 336.2301 NA KEGG NA NA +EUR484 Prostaglandine A1 F1 F1 336.231525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR484 Prostaglandine A1 F1 NA 336.231525 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR484 Prostaglandine A1 F1 F1 336.231525 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR484 Prostaglandine A1 F1 NA 336.231525 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR484 Prostaglandine A1 F1 F1 336.231525 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR484 Prostaglandine A1 F1 NA 336.231525 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR484 Prostaglandine A1 F1 F1 336.231525 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR484 Prostaglandine A1 F1 F1 336.231525 standards wishlist analysés sur QTOF HMDB NA NA +EUR484 Prostaglandine A1 F1 F1 336.231525 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR484 Prostaglandine A1 F1 NA 336.231525 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR484 Prostaglandine A1 F1 F1 336.231525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR484 Prostaglandine A1 F1 F1 336.231525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ038337 1-Heptadecanol; O-Sulfate C17H36O4S 336.23343 NA MeJP NA NA +EUR512 12-HPETE F1 NA 336.234125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR512 12-HPETE F1 NA 336.234125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR512 12-HPETE F1 NA 336.234125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR512 12-HPETE F1 NA 336.234125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR512 12-HPETE F1 NA 336.234125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR512 12-HPETE F1 NA 336.234125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR512 12-HPETE F1 NA 336.234125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR512 12-HPETE F1 NA 336.234125 standards wishlist analysés sur QTOF HMDB NA NA +EUR512 12-HPETE F1 NA 336.234125 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR512 12-HPETE F1 NA 336.234125 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR512 12-HPETE F1 NA 336.234125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR512 12-HPETE F1 NA 336.234125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ038338 3-(12-Phenyl-8-dodecenyl)phenol C24H32O 336.245315 NA MeJP NA NA +HMDB06070 Pregnanetriol C21H36O3 336.265991 NA HMDB2010 NA NA +C14680 5beta-Pregnane-3alpha,17alpha,20alpha-triol C21H36O3 336.2664 NA KEGG NA NA +C14977 2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol C21H36O3 336.2664 NA KEGG NA NA +MJ038339 13-Hydroxy-3-cleroden-15-oic acid, Me ester C21H36O3 336.266445 NA MeJP NA NA +MJ038340 15,16-Epoxy-3-clerodene-15,18-diol, 15-Me ether C21H36O3 336.266445 NA MeJP NA NA +MJ038341 2-Hydroxy-3-cleroden-15-oic acid, Me ether C21H36O3 336.266445 NA MeJP NA NA +MJ038342 3-(15-Hexadecynylidene)dihydro-4-hydroxy-5-methyl-2(3H)-furanone, 15',16'-Dihydro C21H36O3 336.266445 NA MeJP NA NA +MJ038343 3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone C21H36O3 336.266445 NA MeJP NA NA +MJ038344 3-Methyl-5-pentyl-2-furanundecanoic acid C21H36O3 336.266445 NA MeJP NA NA +MJ038345 4-Hydroxy-13-cleroden-15-oic acid, Me ester C21H36O3 336.266445 NA MeJP NA NA +MJ038346 5-Hexadecyl-5-methoxy-2(5H)-furanone; 14',15'-Didehydro (E-) C21H36O3 336.266445 NA MeJP NA NA +MJ038347 7-Labdene-3,15-diol, 15-Formyl C21H36O3 336.266445 NA MeJP NA NA +MJ038348 7-Labdene-3,15-diol, 3-Formyl C21H36O3 336.266445 NA MeJP NA NA +MJ038349 8(17)-Labdene-15,19-diol, 19-Carboxylic acid, 15-Me ether C21H36O3 336.266445 NA MeJP NA NA +MJ038350 Cladocrocin A C21H36O3 336.266445 NA MeJP NA NA +MJ038351 Plakortone C C21H36O3 336.266445 NA MeJP NA NA +MJ038352 Pregnane-3,16,20-triol C21H36O3 336.266445 NA MeJP NA NA +MJ038353 Pregnane-3,17,20-triol C21H36O3 336.266445 NA MeJP NA NA +MJ038354 Sarcotol; 4-Me ether C21H36O3 336.266445 NA MeJP NA NA +C16533 13,16-Docosadienoic acid C22H40O2 336.3028 NA KEGG NA NA +MJ038355 19-Methyl-5,9-heneicosadienoic acid C22H40O2 336.30283 NA MeJP NA NA +MJ038356 20-Methyl-5,9-heneicosadienoic acid C22H40O2 336.30283 NA MeJP NA NA +MJ038357 5,13-Docosadienoic acid C22H40O2 336.30283 NA MeJP NA NA +MJ038358 5,9-Docosadienoic acid C22H40O2 336.30283 NA MeJP NA NA +MJ038359 17-Tricosenal C23H44O 336.339216 NA MeJP NA NA +MJ038360 Atiprimod C22H44N2 336.350449 NA MeJP NA NA +MJ038361 1-Tetracosene C24H48 336.375601 NA MeJP NA NA +3735 NA RKQDK 336.68695 MH2+ Inhouse_peptide NA peptide +8196 f(78-83) of bovine b-lactoglobulin IPAVFK 336.7015 MH2+ Inhouse_peptide NA peptide +EUR012 3,5-dibromotyrosine C9H9Br2NO3 336.8949 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR012 3,5-dibromotyrosine C9H9Br2NO3 336.8949 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR012 3,5-dibromotyrosine C9H9Br2NO3 336.8949 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR012 3,5-dibromotyrosine C9H9Br2NO3 336.8949 Wishlist Inhousejuil11 NA NA +C03224 3,5-Dibromo-L-tyrosine C9H9Br2NO3 336.8949 NA KEGG NA NA +C17080 3,5-Dibromo-tyrosine C9H9Br2NO3 336.8949 NA KEGG NA NA +C17099 Aeroplysinin 1 C9H9Br2NO3 336.8949 NA KEGG NA NA +EUR012 3,5-dibromotyrosine C9H9Br2NO3 336.894916 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR012 3,5-dibromotyrosine C9H9Br2NO3 336.894916 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR012 3,5-dibromotyrosine C9H9Br2NO3 336.894916 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR012 3,5-dibromotyrosine C9H9Br2NO3 336.894916 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR012 3,5-dibromotyrosine C9H9Br2NO3 336.894916 Wishlist HMDB NA NA +EUR012 3,5-dibromotyrosine C9H9Br2NO3 336.894916 Wishlist Inhouse_PFEM NA NA +EUR012 3,5-dibromotyrosine C9H9Br2NO3 336.894916 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR012 3,5-dibromotyrosine C9H9Br2NO3 336.894916 Wishlist PFEM_hmdb_metabocards_official NA NA +MJ038362 2-Amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid C9H9Br2NO3 336.894918 NA MeJP NA NA +MJ038363 3,5-Dibromo-2,4-dihydroxyphenylacetic acid; 4-Me ether, amide C9H9Br2NO3 336.894918 NA MeJP NA NA +MJ038364 Aeroplysinin 1 C9H9Br2NO3 336.894918 NA MeJP NA NA +C17086 Tyrindoxyl sulfate C9H8BrNO4S2 336.9078 NA KEGG NA NA +MJ038365 Tyrindoxyl sulfate C9H8BrNO4S2 336.907811 NA MeJP NA NA +MJ038366 Lissoclinotoxin B C10H11NO2S5 336.939332 NA MeJP NA NA +MJ038367 Clodanolene C14H9Cl2N3O3 337.002096 NA MeJP NA NA +MJ038368 Sudoxicam C13H11N3O4S2 337.019097 NA MeJP NA NA +MJ038369 Tenoxicam C13H11N3O4S2 337.019097 NA MeJP NA NA +MJ038370 Fenquizone C14H12ClN3O3S 337.028789 NA MeJP NA NA +MJ038371 4-[[tert-Butylimino]methyl]benzene-1,3-disulfonic acid; N-Oxide C11H15NO7S2 337.028993 NA MeJP NA NA +C10895 Azafenidin C15H13Cl2N3O2 337.0385 NA KEGG NA NA +HMDB01919 Famotidine C8H15N7O2S3 337.044922 NA HMDB2010 NA NA +MJ038372 Famotidine C8H15N7O2S3 337.044934 NA MeJP NA NA +HMDB01919 Famotidine C8H15N7O2S3 337.04495 http://www.hmdb.ca/metabolites/HMDB01919 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01919 Famotidine C8H15N7O2S3 337.04495 http://www.hmdb.ca/metabolites/HMDB01919 HMDB NA NA +HMDB01919 Famotidine C8H15N7O2S3 337.04495 http://www.hmdb.ca/metabolites/HMDB01919 PFEM_hmdb_metabocards_blood NA blood +HMDB01919 Famotidine C8H15N7O2S3 337.04495 HMDB01919 PFEM_hmdb_metabocards_official NA NA +HMDB01132 Nicotinic acid mononucleotide C11H16NO9P 337.056274 NA HMDB2010 NA NA +MJ038373 Sauvagnine C18H11NO6 337.058637 NA MeJP NA NA +CJneg0537 Uric acid [(2M-H)]- (13C) C913CH7N8O6 337.060625 C18rt(min)=1.07 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0537 Uric acid [(2M-H)]- (13C) C913CH7N8O6 337.060625 C18rt(min)=1.07 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C03997 5-Hydroxymethyldeoxycytidylate C10H16N3O8P 337.0675 NA KEGG NA NA +MJ038374 5-Hydroxymethyldeoxycytidylate C10H16N3O8P 337.067501 NA MeJP NA NA +MetaCyc02959 2'-deoxy-5-hydroxymethylcytidine-5'-phosphate [5-hydroxymethyldeoxycytidylate;] C10H16N3O8P1 337.067501 NA metacyc NA NA +MJ038375 Intrazole C17H12ClN5O 337.073037 NA MeJP NA NA +MJ038376 Tambjamine A; 5'-Bromo, 1''-N-(2-methylbutyl) C15H20BrN3O 337.078974 NA MeJP NA NA +CJpos0765 3-indole carboxylic acid glucuronide [(M+H)]+ C15H16NO8 337.079175 C18rt(min)=6.2 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0765 3-indole carboxylic acid glucuronide [(M+H)]+ C15H16NO8 337.079175 C18rt(min)=6.2 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB11658 2,8-Dihydroxyquinoline-beta-D-glucuronide C15H15NO8 337.079773 NA HMDB2010 NA NA +HMDB13189 3-Indole carboxylic acid glucuronide C15H15NO8 337.079773 NA HMDB2010 NA NA +CJneg0538 3-indole carboxylic acid glucuronide [(M-H)]- C15H14NO8 337.080325 C18rt(min)=6.2 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0538 3-indole carboxylic acid glucuronide [(M-H)]- C15H14NO8 337.080325 C18rt(min)=6.2 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ038377 6-[4-[(4,4,4-Trifluorobutyl)thio]-1,2,5-thiadiazol-3-yl]-1-azabicyclo[3.2.1]octane C13H18F3N3S2 337.089423 NA MeJP NA NA +MJ038378 N-(4-Benzoylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide C17H14F3NO3 337.092577 NA MeJP NA NA +HMDB04662 S-(Hydroxymethyl)glutathione C11H19N3O7S 337.09436 http://www.hmdb.ca/metabolites/HMDB04662 HMDB NA NA +HMDB04662 S-(Hydroxymethyl)glutathione C11H19N3O7S 337.09436 HMDB04662 PFEM_hmdb_metabocards_official NA NA +HMDB04662 S-(Hydroxymethyl)glutathione C11H19N3O7S 337.09436 NA HMDB2010 NA NA +MJ038379 ?-Glutamylcysteinylserine C11H19N3O7S 337.09437 NA MeJP NA NA +MetaCyc02960 S-hydroxymethylglutathione [glycine, N-(N-L-γ-S-(hydroxymethyl)-L-cysteinyl)-;HMGSH;HM-GSH;GS-CH2-OH;hydroxymethylglutathione;] C11H19N3O7S1 337.094371 NA metacyc NA NA +C14180 S-(Hydroxymethyl)glutathione C11H19N3O7S 337.0944 NA KEGG NA NA +PJ000376 SCE C11H19N3O7S 337.0944 NA PeJP NA NA +C09343 Atheroline C19H15NO5 337.095 NA KEGG NA NA +MJ038380 7-Formyldehydrohernangerine C19H15NO5 337.095022 NA MeJP NA NA +MJ038381 Annolatine C19H15NO5 337.095022 NA MeJP NA NA +MJ038382 Arosinine C19H15NO5 337.095022 NA MeJP NA NA +MJ038383 Atheroline C19H15NO5 337.095022 NA MeJP NA NA +MJ038384 Bulbodione C19H15NO5 337.095022 NA MeJP NA NA +MJ038385 Dauriporphine; O6-De-Me C19H15NO5 337.095022 NA MeJP NA NA +MJ038386 Eschscholtzine, 5-Oxo C19H15NO5 337.095022 NA MeJP NA NA +MJ038387 Fissilandione C19H15NO5 337.095022 NA MeJP NA NA +MJ038388 Glaunine C19H15NO5 337.095022 NA MeJP NA NA +MJ038389 Grandirubrine C19H15NO5 337.095022 NA MeJP NA NA +MJ038390 Ouregidione C19H15NO5 337.095022 NA MeJP NA NA +MJ038391 Ovigerine, N-Formyl C19H15NO5 337.095022 NA MeJP NA NA +MJ038392 Oxocularine C19H15NO5 337.095022 NA MeJP NA NA +MJ038393 Oxyberberine; O10-De-Me C19H15NO5 337.095022 NA MeJP NA NA +MJ038394 Oxyberberine; O9-De-Me C19H15NO5 337.095022 NA MeJP NA NA +MJ038395 Prenostodione C19H15NO5 337.095022 NA MeJP NA NA +MJ038396 Reframidine, 15-Oxo C19H15NO5 337.095022 NA MeJP NA NA +MJ038397 Ribasine; N-De-Me C19H15NO5 337.095022 NA MeJP NA NA +MJ038398 Sarcocapnidine; ?-Oxo, 1,2,3,4-tetradehydro, N-de-Me, Me ether C19H15NO5 337.095022 NA MeJP NA NA +MJ038399 Subsessiline C19H15NO5 337.095022 NA MeJP NA NA +MJ038400 Teliglazine; 11-Hydroxy C19H15NO5 337.095022 NA MeJP NA NA +MJ038401 Nifurfoline C13H15N5O6 337.102233 NA MeJP NA NA +PJ000377 GMM C12H23N3O4S2 337.113 NA PeJP NA NA +MJ038402 1H-Indol-3-ylacetyl-myo-inositol C16H19NO7 337.116151 NA MeJP NA NA +MetaCyc02961 indole-3-acetyl-β-6-D-glucose [6-O-indol-3-ylacetyl-β-D-glucose;] C16H19N1O7 337.116152 NA metacyc NA NA +MetaCyc02962 indole-3-acetyl-β-4-D-glucose [4-O-indol-3-ylacetyl-β-D-glucose;] C16H19N1O7 337.116152 NA metacyc NA NA +MetaCyc02963 indole-3-acetyl-β-1-D-glucose [1-O-indol-3-ylacetyl-β-D-glucose;] C16H19N1O7 337.116152 NA metacyc NA NA +MetaCyc02964 indol-3-yl-acetyl-myo-inositol [indole-3-acetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol;indol-3-ylacetyl-1D-myo-inositol;] C16H19N1O7 337.116152 NA metacyc NA NA +C03868 Indole-3-acetyl-myo-inositol C16H19NO7 337.1162 NA KEGG NA NA +C04197 Indole-3-acetyl-beta-1-D-glucoside C16H19NO7 337.1162 NA KEGG NA NA +C04198 Inhibitor of serine endopeptidase C16H19NO7 337.1162 NA KEGG NA NA +PJ000378 GDF C15H19N3O6 337.1274 NA PeJP NA NA +MJ038403 4-[2-[[7-Amino-2-(2-furanyl)[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol C16H15N7O2 337.128722 NA MeJP NA NA +PJ000379 STM C12H23N3O6S 337.1308 NA PeJP NA NA +C10570 Annuloline C20H19NO4 337.1314 NA KEGG NA NA +C10594 Ficine C20H19NO4 337.1314 NA KEGG NA NA +C10601 Isoficine C20H19NO4 337.1314 NA KEGG NA NA +FL3FA9NCN001 Ficine C20H19NO4 337.1314 2520-36-7 knapsack NA NA +FL3FA9NCN002 Isoficine C20H19NO4 337.1314 2255-62-1 knapsack NA NA +MJ038404 5,7-Dihydroxy-8-(2-piperidinyl)flavone C20H19NO4 337.131408 NA MeJP NA NA +MJ038405 Acronycine; 1,2-Epoxide C20H19NO4 337.131408 NA MeJP NA NA +MJ038406 Annuloline C20H19NO4 337.131408 NA MeJP NA NA +MJ038407 Atalaphyllidine; 11,12-N,O-di-Me C20H19NO4 337.131408 NA MeJP NA NA +MJ038408 Cabudine C20H19NO4 337.131408 NA MeJP NA NA +MJ038409 Capitavine; N-De-Me C20H19NO4 337.131408 NA MeJP NA NA +MJ038410 Crebanine, 6a,7-Didehydro C20H19NO4 337.131408 NA MeJP NA NA +MJ038411 Dehydrocorytenchine C20H19NO4 337.131408 NA MeJP NA NA +MJ038412 Dehydrodicentrine C20H19NO4 337.131408 NA MeJP NA NA +MJ038413 Dehydronantenine C20H19NO4 337.131408 NA MeJP NA NA +MJ038414 Ficine C20H19NO4 337.131408 NA MeJP NA NA +MJ038415 Girinimbine; 7-Hydroxy, 4'-acetoxy C20H19NO4 337.131408 NA MeJP NA NA +MJ038416 Isoficine C20H19NO4 337.131408 NA MeJP NA NA +MJ038417 Isopiline, Me ether, N-formyl, 6a,7-didehydro C20H19NO4 337.131408 NA MeJP NA NA +MJ038418 Junosidine C20H19NO4 337.131408 NA MeJP NA NA +MJ038419 Lambertine C20H19NO4 337.131408 NA MeJP NA NA +MJ038420 Melosmine C20H19NO4 337.131408 NA MeJP NA NA +MJ038421 Noracronycine; 5-Methoxy C20H19NO4 337.131408 NA MeJP NA NA +MJ038422 Satigrel C20H19NO4 337.131408 NA MeJP NA NA +MJ038423 Sinomendine C20H19NO4 337.131408 NA MeJP NA NA +MJ038424 Tetrahydrocorysamine C20H19NO4 337.131408 NA MeJP NA NA +MJ038425 Thalphenine, N-De-Me C20H19NO4 337.131408 NA MeJP NA NA +MJ038426 Caseadinium(1+) C20H20NO4(+) 337.131408 NA MeJP NA NA +MJ038427 Columbamine C20H20NO4(+) 337.131408 NA MeJP NA NA +MJ038428 Dehydrocorydalmine C20H20NO4(+) 337.131408 NA MeJP NA NA +MJ038429 Dehydrodiscretine C20H20NO4(+) 337.131408 NA MeJP NA NA +MJ038430 Eschscholtzine, N-Me C20H20NO4(+) 337.131408 NA MeJP NA NA +MJ038431 Jatrorrhizine C20H20NO4(+) 337.131408 NA MeJP NA NA +MJ038432 Palmatrubine C20H20NO4(+) 337.131408 NA MeJP NA NA +MJ038433 Pseudocolumbamine C20H20NO4(+) 337.131408 NA MeJP NA NA +MJ038434 Dambullin C17H23NO4S 337.134778 NA MeJP NA NA +MJ038435 8-Azabicyclo[3.2.1]octane-1,2,3,6-tetrol, 3-O-?-D-Glucopyranoside C13H23NO9 337.137281 NA MeJP NA NA +MJ038436 Streptobiosamine C13H23NO9 337.137281 NA MeJP NA NA +C07655 Streptobiosamine C13H23NO9 337.1373 NA KEGG NA NA +MJ038437 Dazolicine C17H24ClN3S 337.137946 NA MeJP NA NA +MJ038438 Mimopudine C14H19N5O5 337.138618 NA MeJP NA NA +MJ038439 N-(Tetrahydro-3-furanyl)adenosine C14H19N5O5 337.138618 NA MeJP NA NA +MJ038440 Phosphinothricylalanyl-2-aminobutanoic acid C12H24N3O6P 337.140272 NA MeJP NA NA +C13670 Talampanel C19H19N3O3 337.1426 NA KEGG NA NA +MJ038441 Talampanel C19H19N3O3 337.142641 NA MeJP NA NA +MJ038442 Linezolid C16H20FN3O4 337.143784 NA MeJP NA NA +C08146 Linezolid C16H20FN3O4 337.1438 NA KEGG NA NA +C08147 Transferred to D00948 C16H20FN3O4 337.1438 NA KEGG NA NA +MJ038443 Ericolol C18H24ClNO3 337.144471 NA MeJP NA NA +MJ038444 Glidazamide C16H23N3O3S 337.146012 NA MeJP NA NA +MJ038445 8-Azabicyclo[3.2.1]octane-3,6-diol, O3-(3,4,5-Trimethoxybenzoyl) C17H23NO6 337.152537 NA MeJP NA NA +MetaCyc02965 β-cyclopiazonate [] C20H21N2O3 337.155218 NA metacyc NA NA +PJ000380 GVY C16H23N3O5 337.1638 NA PeJP NA NA +3380 ACE inhibitor RY 337.164 celiac toxic Inhouse_peptide NA peptide +MJ038446 2-Aminobenzoic acid; N-(4-Pentylcinnamoyl) C21H23NO3 337.167793 NA MeJP NA NA +MJ038447 3-Quinuclidinyl benzilate C21H23NO3 337.167793 NA MeJP NA NA +MJ038448 Carquinostatin A C21H23NO3 337.167793 NA MeJP NA NA +MJ038449 Olopatadine C21H23NO3 337.167793 NA MeJP NA NA +MJ038450 Pargeverine C21H23NO3 337.167793 NA MeJP NA NA +MJ038451 Phyllostemine C21H23NO3 337.167793 NA MeJP NA NA +MJ038452 Proroxan C21H23NO3 337.167793 NA MeJP NA NA +C07789 Olopatadine C21H23NO3 337.1678 NA KEGG NA NA +HMDB05768 Kyotorphin C15H23N5O4 337.17499 http://www.hmdb.ca/metabolites/HMDB05768 HMDB NA NA +HMDB05768 Kyotorphin C15H23N5O4 337.17499 HMDB05768 PFEM_hmdb_metabocards_official NA NA +C02993 Kyotorphin C15H23N5O4 337.175 NA KEGG NA NA +PJ000381 RY C15H23N5O4 337.175 NA PeJP NA NA +MJ038453 N2-Tyrosylarginine; L-L-form C15H23N5O4 337.175004 NA MeJP NA NA +MetaCyc02966 L-Tyrosyl-L-arginine [Kyotorphin;] C15H23N5O4 337.175004 70904-56-2 metacyc NA NA +HMDB05768 Kyotorphin C15H23N5O4 337.175018 NA HMDB2010 NA NA +C11258 Bitertanol C20H23N3O2 337.179 NA KEGG NA NA +MJ038454 Oxiperomide C20H23N3O2 337.179026 NA MeJP NA NA +MJ038455 Phenserine C20H23N3O2 337.179026 NA MeJP NA NA +C17982 Istamycin AO C13H27N3O7 337.1849 NA KEGG NA NA +MJ038456 Antibiotic KA 6606XII C13H27N3O7 337.1849 NA MeJP NA NA +C10353 Nemorensine C18H27NO5 337.1889 NA KEGG NA NA +C10363 Platyphylline C18H27NO5 337.1889 NA KEGG NA NA +C10383 Sarracine C18H27NO5 337.1889 NA KEGG NA NA +MJ038457 8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3,6-Di-O-tigloyl C18H27NO5 337.188922 NA MeJP NA NA +MJ038458 Bisline; 15-Deoxy C18H27NO5 337.188922 NA MeJP NA NA +MJ038459 Bulgarsenine C18H27NO5 337.188922 NA MeJP NA NA +MJ038460 Nemorensine C18H27NO5 337.188922 NA MeJP NA NA +MJ038461 Platyphylline C18H27NO5 337.188922 NA MeJP NA NA +MJ038462 Propanidid C18H27NO5 337.188922 NA MeJP NA NA +MJ038463 Sarracine C18H27NO5 337.188922 NA MeJP NA NA +MJ038464 Trichodesmine; 13-Deoxy C18H27NO5 337.188922 NA MeJP NA NA +MJ038465 Amineptine C22H27NO2 337.204179 NA MeJP NA NA +MJ038466 Carbazoquinocin; Carbazoquinocin F C22H27NO2 337.204179 NA MeJP NA NA +MJ038467 Danazol C22H27NO2 337.204179 NA MeJP NA NA +MJ038468 Daphnicadine C22H27NO2 337.204179 NA MeJP NA NA +MJ038469 Holadienine; 14,15-Didehydro, 18-oxo C22H27NO2 337.204179 NA MeJP NA NA +MJ038470 Lobeline C22H27NO2 337.204179 NA MeJP NA NA +MJ038471 Pheneridine C22H27NO2 337.204179 NA MeJP NA NA +MJ038472 Pifenate C22H27NO2 337.204179 NA MeJP NA NA +MJ038473 Proxibutene C22H27NO2 337.204179 NA MeJP NA NA +HMDB02835 Danazol C22H27NO2 337.20419 http://www.hmdb.ca/metabolites/HMDB02835 HMDB NA NA +HMDB02835 Danazol C22H27NO2 337.20419 HMDB02835 PFEM_hmdb_metabocards_official NA NA +HMDB02835 Danazol C22H27NO2 337.204193 NA HMDB2010 NA NA +C07475 Lobeline C22H27NO2 337.2042 NA KEGG NA NA +C07476 Transferred to D00526 C22H27NO2 337.2042 NA KEGG NA NA +C07477 Transferred to D00527 C22H27NO2 337.2042 NA KEGG NA NA +MJ038474 Gramodendrine C21H27N3O 337.215412 NA MeJP NA NA +MJ038475 4-(Decyloxy)-3,5-dimethoxybenzamide C19H31NO4 337.225308 NA MeJP NA NA +MJ038476 Antibiotic Ro 09-1547; 4-Me ether, 3-O-(aminoacetyl) C19H31NO4 337.225308 NA MeJP NA NA +MJ038477 Dendrowardine C19H32NO4(+) 337.225308 NA MeJP NA NA +MJ038478 Pafenolol C18H31N3O3 337.236541 NA MeJP NA NA +MJ038479 Palustrine, Nb-Formyl C18H31N3O3 337.236541 NA MeJP NA NA +MJ038480 2-Tridecyl-4(1H)-quinolinone; 4',5',7',8'-Tetradehydro, N-Me (Z,Z-) C23H31NO 337.240564 NA MeJP NA NA +MJ038481 3-Greenwayodendrinol C23H31NO 337.240564 NA MeJP NA NA +MJ038482 Isopolyalthenol C23H31NO 337.240564 NA MeJP NA NA +MJ038483 Neopolyalthenol C23H31NO 337.240564 NA MeJP NA NA +MJ038484 Polyalthenol C23H31NO 337.240564 NA MeJP NA NA +MJ038485 Polyavolensinol C23H31NO 337.240564 NA MeJP NA NA +MJ038486 Xorphanol C23H31NO 337.240564 NA MeJP NA NA +MJ038487 19-Isothiocyanato-18-nonadecenal C20H35NOS 337.243935 NA MeJP NA NA +MJ038488 Suloctidil C20H35NOS 337.243935 NA MeJP NA NA +MJ038489 Laingolide; 4-Demethyl C20H35NO3 337.261693 NA MeJP NA NA +MJ038490 Loesenerine C19H35N3O2 337.272927 NA MeJP NA NA +MJ038491 13-Docosenoic acid, Amide C22H43NO 337.334465 NA MeJP NA NA +MJ038492 6-Docosenoic acid, Amide C22H43NO 337.334465 NA MeJP NA NA +MJ038493 Pyrrolidine; N-Octadecanoyl C22H43NO 337.334465 NA MeJP NA NA +8279 Antioxidative peptide VPNSYP 337.65495 MH2+ Inhouse_peptide NA peptide +MJ038494 1,1,4-Tribromo-4-chloro-3-buten-2-one C4H2Br3ClO 337.73443 NA MeJP NA NA +MJ038495 1,3,4-Tribromo-1-chloro-3-buten-2-one C4H2Br3ClO 337.73443 NA MeJP NA NA +MJ038496 1,4,4-Tribromo-1-chloro-3-buten-2-one C4H2Br3ClO 337.73443 NA MeJP NA NA +C18105 1,2,3,7,8-Pentachlorodibenzofuran C12H3Cl5O 337.8627 NA KEGG NA NA +C18106 2,3,4,7,8-Pentachlorodibenzofuran C12H3Cl5O 337.8627 NA KEGG NA NA +MJ038497 Aeroplysinin 2 C9H8Br2O4 337.878934 NA MeJP NA NA +MJ038498 1,3-Dichloro-2,4,5-trihydroxy-7-methylanthraquinone C15H8Cl2O5 337.974878 NA MeJP NA NA +MJ038499 3',6-Dichloro-4',5,7-trihydroxyisoflavone C15H8Cl2O5 337.974878 NA MeJP NA NA +MJ038500 Bis(2-hydroxybenzoato-O1,O2)zinc C14H10O6Zn 337.976884 NA MeJP NA NA +MJ038501 Tetradecafluorohexane C6F14 337.977644 NA MeJP NA NA +MetaCyc02967 D-myo-inositol (1,4)-bisphosphate [Ins(1,4)P2;myo-inositol (1,4)-bisphosphate;inositol (1,4)-bisphosphate;I(1,4)P2;] C6H12O12P2 337.980399 47055-78-7 metacyc NA NA +MetaCyc02968 D-myo-inositol (3,4)-bisphosphate [1D-myo-inositol (3,4)-bisphosphate;inositol (3,4)-bisphosphate;(2,3,4,5)-tetrahydroxy-6-phosphonooxy-cyclohexoxy)phosphonic acid;Ins(3,4)P2;I(3,4)P2;] C6H12O12P2 337.980399 NA metacyc NA NA +MetaCyc02969 D-myo-inositol (1,3)-bisphosphate [1D-myo-inositol (1,3)-bisphosphate;myo-inositol (1,3)-bisphosphate;inositol (1,3)-bisphosphate;Ins(1,3)P2;I(1,3)P2;] C6H12O12P2 337.980399 103597-56-4 metacyc NA NA +MetaCyc02970 D-myo-inositol (2,4) bisphosphate [1D-myo-inositol (2,4) bisphosphate;myo-inositol (2,4) bisphosphate;Ins(2,4)P2;I(2,4)P2;] C6H12O12P2 337.980399 NA metacyc NA NA +MetaCyc02971 D-myo-inositol (1,2) bisphosphate [1D-myo-inositol (1,2) bisphosphate;1D-myo-inositol (1,2) biphosphate;Ins(1,2)P2;D-myo-inositol (1,2) biphosphate;I(1,2)P2;] C6H12O12P2 337.980399 NA metacyc NA NA +MetaCyc02972 D-myo-inositol (4,5)-bisphosphate [1-D-myo-inositol (4,5)-bisphosphate;Ins(4,5)P2;I(4,5)P2;] C6H12O12P2 337.980399 NA metacyc NA NA +MJ038502 Agelongine C13H11BrN2O4 337.990219 NA MeJP NA NA +MJ038503 Ilonidap C14H8ClFN2O3S 337.992818 NA MeJP NA NA +MJ038504 5,7-Dichloro-2,8-dihydroxy-1,3-dimethylxanthone; 2-Me ether C16H12Cl2O4 338.011264 NA MeJP NA NA +MJ038505 Treloxinate C16H12Cl2O4 338.011264 NA MeJP NA NA +MJ038506 Chlortalidone C14H11ClN2O4S 338.012805 NA MeJP NA NA +HMDB03074 Delphinidin C15H11ClO7 338.019318 NA HMDB2010 NA NA +HMDB03074 Delphinidin C15H11ClO7 338.01932 http://www.hmdb.ca/metabolites/HMDB03074 HMDB NA NA +HMDB03074 Delphinidin C15H11ClO7 338.01932 HMDB03074 PFEM_hmdb_metabocards_official NA NA +MetaCyc02973 mercuriphenyl acetate [(aceto)phenylmercury;(acetoxymercuri)benzene;(acetoxymercurio)-benzene;acetoxyphenylmercury;phenomercuric acetate;phenylmercuric acetate;(acetato-O)phenylmercury;phenylmercury(II) acetate;] C8H8HG1O2 338.023056 62-38-4 metacyc NA NA +C11151 Phenylmercury acetate C8H8HgO2 338.0231 NA KEGG NA NA +MJ038507 Dehydrodigallic acid C14H10O10 338.027396 NA MeJP NA NA +MJ038508 1,8-Dihydroxy-3-methylbenz[a]anthracene-7,12-dione; 1'-Chloro C19H11ClO4 338.034586 NA MeJP NA NA +MJ038509 Brodimoprim C13H15BrN4O2 338.037838 NA MeJP NA NA +MJ038510 Rubrifacine C13H10N2O9 338.038629 NA MeJP NA NA +MetaCyc02974 N5-carboxyaminoimidazole ribonucleotide [5-phosphoribosyl-5-carboxyaminoimidazole;N5-CAIR;] C9H13N3O9P1 338.038941 NA metacyc NA NA +MJ038511 1,3,8,10,11-Pentahydroxy-5,12-naphthacenedione C18H10O7 338.042652 NA MeJP NA NA +MJ038512 Bisdeoxydehydrodothistromin C18H10O7 338.042652 NA MeJP NA NA +MJ038513 Cycloleucomelone C18H10O7 338.042652 NA MeJP NA NA +MJ038514 Edgeworthin C18H10O7 338.042652 NA MeJP NA NA +MJ038515 Topopyrone A; Dechloro C18H10O7 338.042652 NA MeJP NA NA +MJ038516 Topopyrone B; Dechloro C18H10O7 338.042652 NA MeJP NA NA +MJ038517 Versicolorin A C18H10O7 338.042652 NA MeJP NA NA +MJ038518 Sezolamide C11H18N2O4S3 338.042869 NA MeJP NA NA +MJ038519 Fluquazone C16H10ClF3N2O 338.043375 NA MeJP NA NA +C11701 UK-47265 C13H12Cl2N6O 338.045 NA KEGG NA NA +C04437 1-(5-Phosphoribosyl)imidazole-4-acetate C10H15N2O9P 338.0515 NA KEGG NA NA +C04438 1-Acyl-sn-glycero-3-phosphoethanolamine C6H13NO7PR 338.0515 NA KEGG NA NA +C04441 Peptide 2-(3-carboxy-3-aminopropyl)-L-histidine C11H15N5O4R2 338.0515 NA KEGG NA NA +HMDB06032 Imidazoleacetic acid ribotide C10H15N2O9P 338.05151 http://www.hmdb.ca/metabolites/HMDB06032 HMDB NA NA +HMDB06032 Imidazoleacetic acid ribotide C10H15N2O9P 338.05151 HMDB06032 PFEM_hmdb_metabocards_official NA NA +HMDB06032 Imidazoleacetic acid ribotide C10H15N2O9P 338.051514 NA HMDB2010 NA NA +MJ038520 1-(5-Phosphoribosyl)imidazole-4-acetate C10H15N2O9P 338.051516 NA MeJP NA NA +MJ038521 Cymopolone C16H19BrO3 338.051757 NA MeJP NA NA +MJ038522 2,2',4,4',6-Pentahydroxy-6'-methylbenzophenone; 2',4-Di-Me ether, 5-chloro C16H15ClO6 338.055715 NA MeJP NA NA +MJ038523 6-Chloro-1,2,3,4-naphthalenetetrol; 2,3-Di-Me ether, 1,4-di-Ac C16H15ClO6 338.055715 NA MeJP NA NA +MJ038524 Griseofulvin, 6-O-De-Me C16H15ClO6 338.055715 NA MeJP NA NA +HMDB01517 AICAR C9H15N4O8P 338.06274 http://www.hmdb.ca/metabolites/HMDB01517 HMDB NA NA +HMDB01517 AICAR C9H15N4O8P 338.06274 HMDB01517 PFEM_hmdb_metabocards_official NA NA +HMDB01517 AICAR C9H15N4O8P 338.062744 NA HMDB2010 NA NA +MJ038525 Acadesine; 5'-Phosphate C9H15N4O8P 338.062749 NA MeJP NA NA +MJ038526 Tartaric acid, 2-O-(4-Hydroxy-E-cinnamoyl), 3-Ac C9H15N4O8P 338.06275 NA MeJP NA NA +MetaCyc02975 AICAR [Z-nucleotide;aminoimidazole carboxamide ribonucleotide;AICA ribonucleotide;5'-phosphoribosyl-5-amino-4-imidazole carboxamide;5-amino-4-imidazolecarboxamide ribotide;5'-P-ribosyl-5-amino-4-imidazole carboxamide;] C9H15N4O8P1 338.06275 3031-94-5 metacyc NA NA +C04677 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide C9H15N4O8P 338.0628 NA KEGG NA NA +C04678 Dolichyl N-acetyl-alpha-D-glucosaminyl phosphate C28H50NO9P 338.0628 NA KEGG NA NA +C04679 Protein N6-[(R)-4-amino-2-hydroxybutyl]-L-lysine C11H22N4O3R2 338.0628 NA KEGG NA NA +C04680 Retinyl-ester-(cellular-retinol-binding-protein) C21H29O2R 338.0628 NA KEGG NA NA +C04681 [Acetyl-CoA:carbon-dioxide ligase (ADP-forming)] C17H27N5O4SR2 338.0628 NA KEGG NA NA +C04682 [Methylmalonyl-CoA:pyruvate carboxytransferase] C17H27N5O4SR2 338.0628 NA KEGG NA NA +C04683 alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-R C17H28NO14R 338.0628 NA KEGG NA NA +MJ038527 4-Chlorotryptophan, N-(Carbomethoxyacetyl) C15H15ClN2O5 338.066949 NA MeJP NA NA +MetaCyc02976 glutathione amide perthiol [GASSH;] C10H18N4O5S2 338.071861 NA metacyc NA NA +PJ000382 CCN C10H18N4O5S2 338.0719 NA PeJP NA NA +C04905 1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2- C14H19N4O 338.0742 NA KEGG NA NA +C04906 N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2)- C22H37N2O16R 338.0742 NA KEGG NA NA +C04907 alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-N-acetyl-D- C25H41N2O19R 338.0742 NA KEGG NA NA +MetaCyc02977 1-(4-amino-2-methylpyrimid-5-ylmethyl)-3-(β-hydroxyethyl)-2-methylpyridinium bromide [] C14H19N4O1BR1 338.074224 NA metacyc NA NA +C15599 6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline- C14H14N2O8 338.075 NA KEGG NA NA +C15601 Glyceollin C14H14N2O8 338.075 NA KEGG NA NA +C15602 Quinone C14H14N2O8 338.075 NA KEGG NA NA +C15603 Hydroquinone C14H14N2O8 338.075 NA KEGG NA NA +MJ038528 Thiazostatin A C15H18N2O3S2 338.075883 NA MeJP NA NA +C03686 8-O-Methylsterigmatocystin C19H14O6 338.079 NA KEGG NA NA +C03687 Alkane-alpha,omega-diamine H4N2 338.079 NA KEGG NA NA +C03688 Apo-[acyl-carrier-protein] H4N2 338.079 NA KEGG NA NA +C12402 Rabelomycin C19H14O6 338.079 NA KEGG NA NA +FL1B1CNF0002 Castillene D C19H14O6 338.07903 126585-63-5 knapsack NA NA +FL1C2CNF0001 5'-Hydroxy-2'-methoxy-3,4-methylenedioxyfurano[2'',3'':4',3']chalcone C19H14O6 338.07903 61755-70-2 knapsack NA NA +FL1CHYNF0002 Ovalitenone C19H14O6 338.07903 64280-22-4 knapsack NA NA +FLIB1LNF0002 Neotenone;Neorautenone C19H14O6 338.07903 10091-02-8 knapsack NA NA +FLID1CNF0003 Ficinin;4-Methoxyneodulin C19H14O6 338.07903 10338-03-1 knapsack NA NA +MJ038529 1,8-Dihydroxy-3-methoxy-6-(3-oxo-1-butenyl)anthraquinone C19H14O6 338.079038 NA MeJP NA NA +MJ038530 Antibiotic SS 228Y C19H14O6 338.079038 NA MeJP NA NA +MJ038531 Antibiotic WS 5995B C19H14O6 338.079038 NA MeJP NA NA +MJ038532 Aristololide; 9-Ethoxy C19H14O6 338.079038 NA MeJP NA NA +MJ038533 Castillene B; O3-De-Me, 3-ketone, 3',4'-methylenedioxy C19H14O6 338.079038 NA MeJP NA NA +MJ038534 Glabone; 3'-Hydroxy, 5'-methoxy C19H14O6 338.079038 NA MeJP NA NA +MJ038535 Leprapic acid, Parent acid C19H14O6 338.079038 NA MeJP NA NA +MJ038536 Milletenin B C19H14O6 338.079038 NA MeJP NA NA +MJ038537 Neoduleen; 6a,12a-Dihydro, 4-methoxy C19H14O6 338.079038 NA MeJP NA NA +MJ038538 Neotenone C19H14O6 338.079038 NA MeJP NA NA +MJ038539 Ovalitenone C19H14O6 338.079038 NA MeJP NA NA +MJ038540 Rabelomycin C19H14O6 338.079038 NA MeJP NA NA +MJ038541 Sterigmatocystin; Me ether C19H14O6 338.079038 NA MeJP NA NA +MJ038542 Tectoleafquinone C19H14O6 338.079038 NA MeJP NA NA +MJ038543 Tetrangomycin; 2-Hydroxy C19H14O6 338.079038 NA MeJP NA NA +MetaCyc02978 8-O-methylsterigmatocystin [] C19H14O6 338.079038 NA metacyc NA NA +C10942 Inabenfide C19H15ClN2O2 338.0822 NA KEGG NA NA +MJ038544 Iliparcil C16H18O6S 338.082408 NA MeJP NA NA +CJneg0539 3-indole carboxylic acid glucuronide [(M-H)]- (13C) C1413CH14NO8 338.083625 C18rt(min)=6.2 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0539 3-indole carboxylic acid glucuronide [(M-H)]- (13C) C1413CH14NO8 338.083625 C18rt(min)=6.2 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ038545 Colfenamate C16H13F3N2O3 338.087826 NA MeJP NA NA +MJ038546 Cymopol; 1-Me ether C17H23BrO2 338.088142 NA MeJP NA NA +MJ038547 1,2,4-Naphthalenetriol; 4-O-?-D-Glucopyranoside C16H18O8 338.100167 NA MeJP NA NA +MJ038548 1,4,5-Naphthalenetriol; 4-O-?-D-Glucopyranoside C16H18O8 338.100167 NA MeJP NA NA +MJ038549 1,4,5-Naphthalenetriol; 5-O-?-D-Glucopyranoside C16H18O8 338.100167 NA MeJP NA NA +MJ038550 2-Hydroxy-5-methyl-4H-1-benzopyran-4-one; O-?-D-Glucopyranoside C16H18O8 338.100167 NA MeJP NA NA +MJ038551 3-O-p-Coumaroylquinic acid C16H18O8 338.100167 NA MeJP NA NA +MJ038552 4-Hydroxy-5-methyl-2H-1-benzopyran-2-one; O-?-D-Glucopyranoside C16H18O8 338.100167 NA MeJP NA NA +MJ038553 Lomazarin; 8-Me ether C16H18O8 338.100167 NA MeJP NA NA +MetaCyc02979 trans-5-O-(4-coumaroyl)-D-quinate [] C16H18O8 338.100168 NA metacyc NA NA +MetaCyc02980 4-coumaroylquinate [trans-(p-coumaroyl)-quinate;trans-5-O-(4-coumaroyl)quinate;] C16H18O8 338.100168 NA metacyc NA NA +C10432 1-Caffeoyl-4-deoxyquinic acid C16H18O8 338.1002 NA KEGG NA NA +C10441 4-p-Coumaroylquinic acid C16H18O8 338.1002 NA KEGG NA NA +C12208 p-Coumaroyl quinic acid C16H18O8 338.1002 NA KEGG NA NA +MJ038554 Thalidastine C19H16NO5 338.102847 NA MeJP NA NA +MJ038555 Emethacin A C19H18N2O2S 338.108898 NA MeJP NA NA +MJ038556 Tilmacoxib C16H19FN2O3S 338.110041 NA MeJP NA NA +C01701 (-)-Glyceollin I C20H18O5 338.1154 NA KEGG NA NA +C01702 Glycogenin C10H10N2O3R2 338.1154 NA KEGG NA NA +C10049 Glepidotin A C20H18O5 338.1154 NA KEGG NA NA +C10360 2-Isoprenylemodin C20H18O5 338.1154 NA KEGG NA NA +C10422 (-)-Glyceollin II C20H18O5 338.1154 NA KEGG NA NA +C10542 Wighteone C20H18O5 338.1154 NA KEGG NA NA +C11576 6-(3,3-DMA)galangin C20H18O5 338.1154 NA KEGG NA NA +C11581 8-(1,1-Dimethylallyl)galangin C20H18O5 338.1154 NA KEGG NA NA +C15511 Glyceollin III C20H18O5 338.1154 NA KEGG NA NA +C17742 Demethoxycurcumin C20H18O5 338.1154 NA KEGG NA NA +FL1C1ANP0007 3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone C20H18O5 338.11542 - knapsack NA NA +FL1CE9NP0001 Mallotus A C20H18O5 338.11542 116107-14-3 knapsack NA NA +FL1CHYNP0003 Glyinflanin B C20H18O5 338.11542 142750-23-0 knapsack NA NA +FL2FA9NI0006 5,7-Dihydroxy-8-C-(gamma-methyl-gamma-formylallyl)flavanone C20H18O5 338.11542 74161-07-2 knapsack NA NA +FL2FAANP0003 Citflavanone C20H18O5 338.11542 70872-27-4 knapsack NA NA +FL2FAANP0009 Paratocarpin K;5,4'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone C20H18O5 338.11542 170900-13-7 knapsack NA NA +FL3FAANI0004 5,7,4'-Trihydroxy-6-prenylflavone;6-C-Prenylapigenin; 6-Prenylapigenin;5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C20H18O5 338.11542 68097-13-2 knapsack NA NA +FL3FAANI0007 Yinyanghuo D;5,7-Dihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one C20H18O5 338.11542 174286-25-0 knapsack NA NA +FL3FAANP0003 Licoflavone C;8-Prenylapigenin;5,7,4'-Trihydroxy-8-prenylflavone;5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C20H18O5 338.11542 72357-31-4 knapsack NA NA +FL5FA9NI0001 Glepidotin A C20H18O5 338.11542 42193-83-9 knapsack NA NA +FL5FA9NI0002 3,5,7-Trihydroxy-6-prenylflavone C20H18O5 338.11542 51948-71-1 knapsack NA NA +FL5FA9NI0003 3,5,7-Trihydroxy-8-(1,1-dimethylprop-2-en-1-yl)flavone;8-(1,1-Dimethylallyl)galangin C20H18O5 338.11542 128508-11-2 knapsack NA NA +FLIA1ANP0004 Psoralenol C20H18O5 338.11542 70522-30-4 knapsack NA NA +FLIAAANI0001 Wighteone;Erythrinin B;5,7,4'-Trihydroxy-6-prenylisoflavone C20H18O5 338.11542 51225-30-0 knapsack NA NA +FLIAAANI0002 6-(1,1-Dimethylallyl)genistein C20H18O5 338.11542 77390-42-2 knapsack NA NA +FLIAAANI0005 Isowighteone;3'-Prenylgenistein;5,7,4'-Trihydroxy-3'-prenylisoflavone C20H18O5 338.11542 68436-47-5 knapsack NA NA +FLIAAANI0009 Lupiwighteone;5,7,4'-Trihydroxy-8-prenylisoflavone C20H18O5 338.11542 104691-86-3 knapsack NA NA +FLIAAANP0008 Crotalarin C20H18O5 338.11542 109517-68-2 knapsack NA NA +FLIDAANF0001 Apiocarpin C20H18O5 338.11542 83919-96-4 knapsack NA NA +FLIDHXNF0003 Glyceollin III C20H18O5 338.11542 61080-23-7 knapsack NA NA +FLIDHXNF0004 Canescacarpin C20H18O5 338.11542 79082-46-5 knapsack NA NA +FLIDHXNP0001 (-)-Glyceollin I C20H18O5 338.11542 57103-57-8 knapsack NA NA +FLIDHXNP0002 (-)-Glyceollin II C20H18O5 338.11542 67314-98-1 knapsack NA NA +FLIDHXNP0003 Tuberosin C20H18O5 338.11542 41347-45-9 knapsack NA NA +FLII1LNP0001 Neoraufurane C20H18O5 338.11542 53734-76-2 knapsack NA NA +MJ038557 1,3,8-Trihydroxy-6-methyl-2-(3-methyl-2-butenyl)anthraquinone C20H18O5 338.115423 NA MeJP NA NA +MJ038558 1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(3-Methyl-2-butenyl) C20H18O5 338.115423 NA MeJP NA NA +MJ038559 15,16-Epoxy-1,3,7,13(16),14-clerodapentaene-17,12:18,19-diolide C20H18O5 338.115423 NA MeJP NA NA +MJ038560 17(15?16),18(4?3)-Bisabeo-12,16-epoxy-11-hydroxy-3,5,8,11,13-abietapentaen-7-one; 1-Oxo, 14-hydroxy, 15,16-didehydro C20H18O5 338.115423 NA MeJP NA NA +MJ038561 1a-Hydroxyphaseollone C20H18O5 338.115423 NA MeJP NA NA +MJ038562 2',4',7-Trihydroxy-3'-prenylisoflavone C20H18O5 338.115423 NA MeJP NA NA +MJ038563 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3-methyl-7-(2-propenyl)-4,5-benzofurandiol, 3',4':4,5-Bis(methylene) ether C20H18O5 338.115423 NA MeJP NA NA +MJ038564 3',4',6-Trihydroxy-5-prenylaurone C20H18O5 338.115423 NA MeJP NA NA +MJ038565 3',4',6-Trihydroxy-7-prenylaurone C20H18O5 338.115423 NA MeJP NA NA +MJ038566 3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 3',4':4,5-Bis(methylene) ether C20H18O5 338.115423 NA MeJP NA NA +MJ038567 3,5,7-Trihydroxy-6-prenylflavone C20H18O5 338.115423 NA MeJP NA NA +MJ038568 4',5,7-Trihydroxy-3'-prenylflavone C20H18O5 338.115423 NA MeJP NA NA +MJ038569 4',5,7-Trihydroxy-3'-prenylisoflavone C20H18O5 338.115423 NA MeJP NA NA +MJ038570 4',5,7-Trihydroxy-6-prenylisoflavone C20H18O5 338.115423 NA MeJP NA NA +MJ038571 4',5,7-Trihydroxy-8-prenylflavone C20H18O5 338.115423 NA MeJP NA NA +MJ038572 4',5,7-Trihydroxy-8-prenylisoflavone C20H18O5 338.115423 NA MeJP NA NA +MJ038573 5,7-Dihydroxy-8-prenylflavanone, 4''-Oxo C20H18O5 338.115423 NA MeJP NA NA +MJ038574 6-(1,1-Dimethyl-2-propenyl)-4',5,7-trihydroxyisoflavone C20H18O5 338.115423 NA MeJP NA NA +MJ038575 6a-Hydroxyphaseollin C20H18O5 338.115423 NA MeJP NA NA +MJ038576 8-(1,1-Dimethyl-2-propenyl)-3,5,7-trihydroxyflavone C20H18O5 338.115423 NA MeJP NA NA +MJ038577 Alpinumisoflavone; 3,4-Dihydro C20H18O5 338.115423 NA MeJP NA NA +MJ038578 Antibiotic MK 3018 C20H18O5 338.115423 NA MeJP NA NA +MJ038579 Antibiotic SM 196A; 7-Ketone C20H18O5 338.115423 NA MeJP NA NA +MJ038580 Antibiotic Sch 58450 C20H18O5 338.115423 NA MeJP NA NA +MJ038581 Apiocarpin C20H18O5 338.115423 NA MeJP NA NA +MJ038582 Carpachromene; 2,3-Dihydro C20H18O5 338.115423 NA MeJP NA NA +MJ038583 Carpachromene; 3'',4''-Dihydro C20H18O5 338.115423 NA MeJP NA NA +MJ038584 Citflavanone C20H18O5 338.115423 NA MeJP NA NA +MJ038585 Corylin; 3',4'-Dihydro, 3'-hydroxy C20H18O5 338.115423 NA MeJP NA NA +MJ038586 Curcumin; Demethoxy C20H18O5 338.115423 NA MeJP NA NA +MJ038587 Daleformis C20H18O5 338.115423 NA MeJP NA NA +MJ038588 Glyasperin F; 5-Deoxy C20H18O5 338.115423 NA MeJP NA NA +MJ038589 Glyceollin I C20H18O5 338.115423 NA MeJP NA NA +MJ038590 Glyinflanin B C20H18O5 338.115423 NA MeJP NA NA +MJ038591 Hatomarubigin C C20H18O5 338.115423 NA MeJP NA NA +MJ038592 Isobavachromene; 3''-Hydroxy C20H18O5 338.115423 NA MeJP NA NA +MJ038593 Licoisoflavone B; 2,3-Dihydro, 5-deoxy C20H18O5 338.115423 NA MeJP NA NA +MJ038594 Mallotus A C20H18O5 338.115423 NA MeJP NA NA +MJ038595 Moracin G; 4'-Methoxy C20H18O5 338.115423 NA MeJP NA NA +MJ038596 Neoraufurane C20H18O5 338.115423 NA MeJP NA NA +MJ038597 Otobain, 7-Oxo C20H18O5 338.115423 NA MeJP NA NA +MJ038598 Palmarumycin CP3; 6,7-Dihydro, 5?-alcohol C20H18O5 338.115423 NA MeJP NA NA +MJ038599 Pinnatal C20H18O5 338.115423 NA MeJP NA NA +MJ038600 Psorolactone B C20H18O5 338.115423 NA MeJP NA NA +MJ038601 Rabelomycin; 1-Alcohol, 6-deoxy, 8-Me ether C20H18O5 338.115423 NA MeJP NA NA +MJ038602 Rhyacophilene; 7,8-Didehydro C20H18O5 338.115423 NA MeJP NA NA +MJ038603 Rubiginone A1 C20H18O5 338.115423 NA MeJP NA NA +MJ038604 Tanshinonic acid; Me ester C20H18O5 338.115423 NA MeJP NA NA +MJ038605 Terphenyllin C20H18O5 338.115423 NA MeJP NA NA +MJ038606 Teuvincenone E; 15,16-Didehydro C20H18O5 338.115423 NA MeJP NA NA +MJ038607 Tuberosin C20H18O5 338.115423 NA MeJP NA NA +MJ038608 Vismiaguianin A C20H18O5 338.115423 NA MeJP NA NA +MJ038609 Vitrofolal B; 3-Deoxy C20H18O5 338.115423 NA MeJP NA NA +MetaCyc02981 glyceollin [(-) - glyceollin I;] C20H18O5 338.115424 57103-57-8 metacyc NA NA +MetaCyc02982 isowighteone [3'-prenyl-5,7,4'-trihydroxyisoflavone;] C20H18O5 338.115424 NA metacyc NA NA +MetaCyc02983 lupiwighteone [8-prenyl-5,7,4'-trihydroxyisoflavone;] C20H18O5 338.115424 NA metacyc NA NA +MetaCyc02984 wighteone [6-isopentenylgenistein;6-prenyl-5,7,4'-trihydroxyisoflavone;] C20H18O5 338.115424 NA metacyc NA NA +MetaCyc02985 glyceollin III [] C20H18O5 338.115424 NA metacyc NA NA +MetaCyc02986 glyceollin II [] C20H18O5 338.115424 NA metacyc NA NA +MetaCyc02987 glyceollin I [] C20H18O5 338.115424 NA metacyc NA NA +MJ038610 Alamarine C19H18N2O4 338.126657 NA MeJP NA NA +MJ038611 Cimoxatone C19H18N2O4 338.126657 NA MeJP NA NA +MJ038612 Isoalamarine C19H18N2O4 338.126657 NA MeJP NA NA +C09326 Alamarine C19H18N2O4 338.1267 NA KEGG NA NA +MJ038613 Moxnidazole C13H18N6O5 338.133867 NA MeJP NA NA +MJ038614 1,2:3,4-Diepoxy-8,10-dihydroxy-11(13)-guaien-12,6-olide, 11?,13-Dihydro, 8-Ac C17H22O7 338.136553 NA MeJP NA NA +MJ038615 1,2:3,4-Diepoxy-8,10-dihydroxy-12,6-guaianolide, 8-Ac C17H22O7 338.136553 NA MeJP NA NA +MJ038616 1,3,8-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Hydroperoxide, 3-Ac C17H22O7 338.136553 NA MeJP NA NA +MJ038617 1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 13-Ac C17H22O7 338.136553 NA MeJP NA NA +MJ038618 1,8,15-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Hydroperoxide, 15-Ac C17H22O7 338.136553 NA MeJP NA NA +MJ038619 2,10-Dihydroxy-3-oxo-1,11(13)-eremophiladien-12-oic acid; 10?-form, 10-Hydroperoxide, 2-Ac C17H22O7 338.136553 NA MeJP NA NA +MJ038620 2,2-Dimethyl-2H-1-benzopyran-7-ol; O-?-D-Glucopyranoside C17H22O7 338.136553 NA MeJP NA NA +MJ038621 2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 9-Ac C17H22O7 338.136553 NA MeJP NA NA +MJ038622 3,7,15-Trihydroxy-8-scirpenone, 3-Ac C17H22O7 338.136553 NA MeJP NA NA +MJ038623 3,7,8,15-Scirpenetetrol; 8-Ketone, 15-Ac C17H22O7 338.136553 NA MeJP NA NA +MJ038624 4,9,10-Trihydroxy-2,11(13)-guaiadien-12,6-olide, 4-Hydroperoxide, 9-Ac C17H22O7 338.136553 NA MeJP NA NA +MJ038625 5,7-Dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-methyl-4H-1-benzopyran-4-one; 1',2'-Dihydroxy, 5,7-di-Me ether C17H22O7 338.136553 NA MeJP NA NA +MJ038626 6-Hydroxy-5(10)-pinguisen-11,6-olide-12,15-dioic acid, Di-Me ester C17H22O7 338.136553 NA MeJP NA NA +MJ038627 7,8-Epoxy-9,17-dihydroxy-13,14,15,16-tetranor-12,17:19,6-labdanediolide, 17-Me ether C17H22O7 338.136553 NA MeJP NA NA +MJ038628 8,9,13-Trihydroxy-1-oxo-4,7(11)-germacradien-12,6-olide, 13-Ac C17H22O7 338.136553 NA MeJP NA NA +MJ038629 9,11,13-Trihydroxy-4-oxo-2-pseudoguaien-12,8-olide, 9-Ac C17H22O7 338.136553 NA MeJP NA NA +MJ038630 Anislactone A; 7-Epimer, 7-Ac C17H22O7 338.136553 NA MeJP NA NA +MJ038631 Ezomontanin; 11?,13-Dihydro C17H22O7 338.136553 NA MeJP NA NA +MJ038632 Murragleinin C17H22O7 338.136553 NA MeJP NA NA +C09526 1-Peroxyferolide C17H22O7 338.1366 NA KEGG NA NA +C01795 Columbamine C20H20NO4 338.1392 NA KEGG NA NA +C06163 (S)-cis-N-methylstylopine C20H20NO4 338.1392 NA KEGG NA NA +C09553 Jatrorrhizine C20H20NO4 338.1392 NA KEGG NA NA +MJ038633 (S)-cis-N-methylstylopine C20H20NO4 338.139233 NA MeJP NA NA +MJ038634 Columbamine C20H20NO4 338.139233 NA MeJP NA NA +MJ038635 N-Methylstylopine(1+) C20H20NO4 338.139233 NA MeJP NA NA +MetaCyc02988 columbamine [] C20H20N1O4 338.139233 3621-36-1 metacyc NA NA +MJ038636 4-(Di-1H-indol-3-ylmethyl)phenol C23H18N2O 338.141913 NA MeJP NA NA +HMDB01272 Nicotine glucuronide C16H22N2O6 338.147797 NA HMDB2010 NA NA +HMDB01272 Nicotine glucuronide C16H22N2O6 338.1478 http://www.hmdb.ca/metabolites/HMDB01272 HMDB NA NA +HMDB01272 Nicotine glucuronide C16H22N2O6 338.1478 HMDB01272 PFEM_hmdb_metabocards_official NA NA +C10264 3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid C21H22O4 338.1518 NA KEGG NA NA +C15059 2,2,4-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate C21H22O4 338.1518 NA KEGG NA NA +FL1C1ANI0004 4-Hydroxyderricin C21H22O4 338.1518 55912-03-3 knapsack NA NA +FL1C1ANI0009 Bavachalcone C21H22O4 338.1518 20784-60-5 knapsack NA NA +FL1CA9NI0002 Isoxanthohumol(Helichrysum) C21H22O4 338.1518 72247-79-1 knapsack NA NA +FL1CA9NI0003 2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone C21H22O4 338.1518 116107-09-6 knapsack NA NA +FL1CA9NI0006 2'-Hydroxy-6'-methoxy-4'-prenyloxychalcone C21H22O4 338.1518 96386-70-8 knapsack NA NA +FL1CRTNI0001 Licochalcone C C21H22O4 338.1518 144506-14-9 knapsack NA NA +FL1CRTNI0002 Licochalcone A C21H22O4 338.1518 58749-22-7 knapsack NA NA +FL1D1ANP0001 Crotaramin C21H22O4 338.1518 255831-59-5 knapsack NA NA +FL2F1ANI0007 Bavachinin C21H22O4 338.1518 19879-30-2 knapsack NA NA +FL2F1ANI0012 4'-Hydroxyisoderricin;Mundulea flavanone A;4'-Hydroxy-7-methoxy-8-prenylflavanone C21H22O4 338.1518 126909-50-0 knapsack NA NA +FL2F99NI0001 Falciformin C21H22O4 338.1518 102275-31-0 knapsack NA NA +FL2FA9NI0004 5-Hydroxy-7-methoxy-6-C-prenylflavanone C21H22O4 338.1518 55051-79-1 knapsack NA NA +FL2FA9NI0008 Tephrinone C21H22O4 338.1518 75350-44-6 knapsack NA NA +FL2FA9NI0010 5-Methoxy-7-prenyloxyflavanone C21H22O4 338.1518 96386-73-1 knapsack NA NA +FL2FA9NI0013 6-C-Prenyl-8-C-methylpinocembrin C21H22O4 338.1518 101959-25-5 knapsack NA NA +FL2FA9NI0021 5,7-Dihydroxy-6-methyl-8-prenylflavanone C21H22O4 338.1518 116107-10-9 knapsack NA NA +FL2FA9NM0010 7-O-Prenylcryptostrobin C21H22O4 338.1518 101959-24-4 knapsack NA NA +FL64A9NF0001 Hildgardtol A C21H22O4 338.1518 104799-50-0 knapsack NA NA +FL64A9NP0001 Hildgardtol B C21H22O4 338.1518 104777-98-2 knapsack NA NA +FLIC1LNP0004 2'-O-Methylphaseollinisoflavan C21H22O4 338.1518 49594-01-6 knapsack NA NA +FLIC1LNP0005 4'-O-Methylglabridin C21H22O4 338.1518 68978-09-6 knapsack NA NA +FLID1ANI0003 Sandwicensin;3-Hydroxy-9-methoxy-10-prenylpterocarpan C21H22O4 338.1518 74515-46-1 knapsack NA NA +MJ038637 1,3,8-Trihydroxy-6-methyl-2-prenyl-9(10H)-anthracenone; 3-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038638 1,3,8-Trihydroxy-6-methyl-2-prenyl-9(10H)-anthracenone; ?1',2'-Isomer (E-), 3-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038639 2',4',6'-Trihydroxy-3'-prenylchalcone; 4'-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038640 2',4',6'-Trihydroxy-3'-prenylchalcone; 6'-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038641 2',4',6'-Trihydroxychalcone; 2'-Me ether, 4'-O-(3-methyl-2-butenyl) C21H22O4 338.151809 NA MeJP NA NA +MJ038642 2',4',7-Trihydroxy-3'-prenylisoflavene; 2'-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038643 2',4,4'-Trihydroxy-3'-prenylchalcone; 4'-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038644 2',4,4'-Trihydroxy-5'-prenylchalcone; 4'-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038645 2,2,12-Trimethyl-2H-naphtho[1,2-f][1]benzopyran-8,9,11-triol; 5,6-Dihydro, 11-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038646 2,4,4'-Trihydroxy-3-prenylchalcone, 2-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038647 2,4-Dihydroxy-3-prenyl-6-styrylbenzoic acid, 4-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038648 2-Methylteretifolione B C21H22O4 338.151809 NA MeJP NA NA +MJ038649 3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7'-ene, 3',4'-Methylene, 4,5-di-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038650 3,9-Dihydroxy-10-prenylpterocarpan; 9-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038651 3,9-Dihydroxy-2-prenylpterocarpan; 3-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038652 3,9-Dihydroxy-4-prenylpterocarpan; 9-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038653 3,9-Dihydroxy-8-prenylpterocarpan, 9-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038654 4',7-Dihydroxy-6-prenylflavanone, 7-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038655 4',7-Dihydroxy-8-prenylflavanone, 7-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038656 4,6-Dihydroxy-3-prenyl-2-styrylbenzoic acid, 4-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038657 5,7-Dihydroxy-6-methyl-8-prenylflavanone C21H22O4 338.151809 NA MeJP NA NA +MJ038658 5,7-Dihydroxy-6-prenylflavanone, 7-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038659 5,7-Dihydroxy-8-methyl-6-prenylflavanone C21H22O4 338.151809 NA MeJP NA NA +MJ038660 5,7-Dihydroxy-8-methylflavanone, 7-O-(3-Methyl-2-butenyl) C21H22O4 338.151809 NA MeJP NA NA +MJ038661 5,7-Dihydroxy-8-prenylflavanone, 7-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038662 5,7-Dihydroxyflavanone, 5-Me ether, 7-O-(3-methyl-2-butenyl) C21H22O4 338.151809 NA MeJP NA NA +MJ038663 7-[2-(3,4-Dihydroxyphenyl)ethenyl]-2,2-dimethyl-2H-1-benzopyran-5-ol, 3',5-Di-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038664 8-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one C21H22O4 338.151809 NA MeJP NA NA +MJ038665 Archangelin C21H22O4 338.151809 NA MeJP NA NA +MJ038666 Bergamottin C21H22O4 338.151809 NA MeJP NA NA +MJ038667 Carinatidin; Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038668 Eupomatenoid 6; 3',7-Dimethoxy, Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038669 Falciformin C21H22O4 338.151809 NA MeJP NA NA +MJ038670 Gancaonin Y C21H22O4 338.151809 NA MeJP NA NA +MJ038671 Garugamblin 1 C21H22O4 338.151809 NA MeJP NA NA +MJ038672 Garuganin II; 4-Demethoxy C21H22O4 338.151809 NA MeJP NA NA +MJ038673 Glabridin, 2'-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038674 Glabridin, 4'-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038675 Hildgardtol A C21H22O4 338.151809 NA MeJP NA NA +MJ038676 Hildgardtol B C21H22O4 338.151809 NA MeJP NA NA +MJ038677 Iliensin C21H22O4 338.151809 NA MeJP NA NA +MJ038678 Isobavachromene; 2',3'-Dihydro, 4''-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038679 Kurospongin C21H22O4 338.151809 NA MeJP NA NA +MJ038680 Licochalcone A C21H22O4 338.151809 NA MeJP NA NA +MJ038681 Neorauflavane; 5-Demethoxy, 4'-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038682 Nic 10 C21H22O4 338.151809 NA MeJP NA NA +MJ038683 Panicein B1 C21H22O4 338.151809 NA MeJP NA NA +MJ038684 Panicein B2 C21H22O4 338.151809 NA MeJP NA NA +MJ038685 Phaseollinisoflavan; 2'-Me ether C21H22O4 338.151809 NA MeJP NA NA +MJ038686 Taxamairin A C21H22O4 338.151809 NA MeJP NA NA +MJ038687 Taxamairin H C21H22O4 338.151809 NA MeJP NA NA +MJ038688 3,4-Dihydroxybutanoic acid, 3-O-?-D-Glucopyranoside, butyl ester C14H26O9 338.157682 NA MeJP NA NA +MJ038689 Dredehongbiose; ?-D-Pyranose-form, Me glycoside C14H26O9 338.157682 NA MeJP NA NA +MJ038690 Glaucobiose; ?-Pyranose-form, Me glycoside C14H26O9 338.157682 NA MeJP NA NA +MJ038691 Glaucobiose; ?-Pyranose-form, Me glycoside C14H26O9 338.157682 NA MeJP NA NA +C02899 beta-Cyclopiazonate C20H22N2O3 338.163 NA KEGG NA NA +C02900 beta-D-Galactosyl-R C6H11O6R 338.163 NA KEGG NA NA +C02903 omega-Aminoaldehyde C2H5NO 338.163 NA KEGG NA NA +MJ038692 Akagerine lactone C20H22N2O3 338.163042 NA MeJP NA NA +MJ038693 Akuammicine, 19?,20?-Epoxide C20H22N2O3 338.163042 NA MeJP NA NA +MJ038694 Akuammicine, Nb-Oxide C20H22N2O3 338.163042 NA MeJP NA NA +MJ038695 Alstonal; N-De-Me C20H22N2O3 338.163042 NA MeJP NA NA +MJ038696 Alstonisine; 11-Methoxy C20H22N2O3 338.163042 NA MeJP NA NA +MJ038697 Bissecodehydrocyclopiazonic acid C20H22N2O3 338.163042 NA MeJP NA NA +MJ038698 Condylocarpine; 14?-Hydroxy C20H22N2O3 338.163042 NA MeJP NA NA +MJ038699 Condylocarpine; N4-Oxide C20H22N2O3 338.163042 NA MeJP NA NA +MJ038700 Fluorocarpamine C20H22N2O3 338.163042 NA MeJP NA NA +MJ038701 Gardnutine; 18-Hydroxy C20H22N2O3 338.163042 NA MeJP NA NA +MJ038702 Gelsemine; Nb-Oxide (S-) C20H22N2O3 338.163042 NA MeJP NA NA +MJ038703 Mossambine C20H22N2O3 338.163042 NA MeJP NA NA +MJ038704 Nor-C-fluorocurarine, 12-Hydroxy, 11-methoxy C20H22N2O3 338.163042 NA MeJP NA NA +MJ038705 Pericyclivine; 10-Hydroxy C20H22N2O3 338.163042 NA MeJP NA NA +MJ038706 Perivine C20H22N2O3 338.163042 NA MeJP NA NA +MJ038707 Picrinine C20H22N2O3 338.163042 NA MeJP NA NA +MJ038708 Pleiocarpamine; 11-Hydroxy C20H22N2O3 338.163042 NA MeJP NA NA +MJ038709 Pleiocarpamine; 16-Epimer, N4-oxide C20H22N2O3 338.163042 NA MeJP NA NA +MJ038710 Roecarboline; N2-De-Me C20H22N2O3 338.163042 NA MeJP NA NA +MJ038711 Sewarine C20H22N2O3 338.163042 NA MeJP NA NA +MJ038712 Strictamine; 10-Hydroxy C20H22N2O3 338.163042 NA MeJP NA NA +MJ038713 Strictamine; 11-Hydroxy C20H22N2O3 338.163042 NA MeJP NA NA +MJ038714 Strictamine; 12-Hydroxy C20H22N2O3 338.163042 NA MeJP NA NA +MJ038715 Strictamine; 18-Hydroxy C20H22N2O3 338.163042 NA MeJP NA NA +MJ038716 Strictamine; Nb-Oxide C20H22N2O3 338.163042 NA MeJP NA NA +MJ038717 Stricticine C20H22N2O3 338.163042 NA MeJP NA NA +MJ038718 Vinervine C20H22N2O3 338.163042 NA MeJP NA NA +C08503 Pinolidoxin C18H26O6 338.1729 NA KEGG NA NA +C14538 Trimethylolpropane trimethacrylate C18H26O6 338.1729 NA KEGG NA NA +MJ038719 1,6,8-Trihydroxy-4(15),11(13)-eudesmadien-12-oic acid, 8-Ac, Me ester C18H26O6 338.172938 NA MeJP NA NA +MJ038720 3,4,5,8,9,10-Hexahydro-3,8,9-trihydroxy-10-propyl-2H-oxecin-2-one, 3-O-(2E,4E-Hexadienoyl) C18H26O6 338.172938 NA MeJP NA NA +MJ038721 3,4,5,8,9,10-Hexahydro-3,8,9-trihydroxy-10-propyl-2H-oxecin-2-one, 8-Epimer, 3-O-(2E,4E-hexadienoyl) C18H26O6 338.172938 NA MeJP NA NA +MJ038722 3,4,5,8,9,10-Hexahydro-3,8,9-trihydroxy-10-propyl-2H-oxecin-2-one, 3-O-(2E,4E-Hexadienoyl) C18H26O6 338.172938 NA MeJP NA NA +MJ038723 3-Heptyl-3,4-dihydro-1,6,8-trihydroxy-1H-2-benzopyran-7-carboxylic acid, 1-Me ether C18H26O6 338.172938 NA MeJP NA NA +MJ038724 3-Oxo-17-carboxy-3,18-secobarbacenic acid C18H26O6 338.172938 NA MeJP NA NA +MJ038725 ACRL Toxin III' C18H26O6 338.172938 NA MeJP NA NA +MJ038726 Ankalactone C18H26O6 338.172938 NA MeJP NA NA +MJ038727 p-Mentha-1,3,5-triene-3,8,9,10-tetrol; 9,10-Bis(2-methylpropanoyl) C18H26O6 338.172938 NA MeJP NA NA +MJ038728 1-[[6-Methylergolin-8-yl]methyl]-2,4-imidazolidinedione C19H22N4O2 338.174275 NA MeJP NA NA +MJ038729 [2-[[(2,3-Dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamic acid; Me ester C19H22N4O2 338.174275 NA MeJP NA NA +C00915 Benzyl viologen C24H22N2 338.1783 NA KEGG NA NA +MJ038730 1,16-Diisothiocyanato-1,15-hexadecadiene, 1,2-Dihydro C18H30N2S2 338.18504 NA MeJP NA NA +FL6FA9NI0001 5,7-Dimethoxy-8-prenylflavan C22H26O3 338.18819 87456-68-6 knapsack NA NA +MJ038731 11,17-Dihydroxy-17-(1-propynyl)androsta-1,4,6-trien-3-one C22H26O3 338.188194 NA MeJP NA NA +MJ038732 21-Ethyl-2,6-epoxy-1-oxa-2,5,14,17,20-cycloheneicosapentaen-11-yn-4-one C22H26O3 338.188194 NA MeJP NA NA +MJ038733 3,4',5-Trihydroxy-2-prenylstilbene; Tri-Me ether C22H26O3 338.188194 NA MeJP NA NA +MJ038734 3-Ethyl-2,19-dioxabicyclo[16.3.1]docosa-3,6,9,18(22),21-pentaen-12-yn-20-one C22H26O3 338.188194 NA MeJP NA NA +MJ038735 5,7-Dihydroxy-8-prenylflavan, Di-Me ether C22H26O3 338.188194 NA MeJP NA NA +MJ038736 Arachidin II, Tri-Me ether C22H26O3 338.188194 NA MeJP NA NA +MJ038737 Furanoquinone C22H26O3 338.188194 NA MeJP NA NA +MJ038738 Panicein A C22H26O3 338.188194 NA MeJP NA NA +MJ038739 Piptoporic acid; Me ester C22H26O3 338.188194 NA MeJP NA NA +MJ038740 Resmethrin, ANSI C22H26O3 338.188194 NA MeJP NA NA +MJ038741 Smenochromene A C22H26O3 338.188194 NA MeJP NA NA +C10991 Resmethrin C22H26O3 338.1882 NA KEGG NA NA +C15029 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one C22H26O3 338.1882 NA KEGG NA NA +C16810 Bioresmethrin C22H26O3 338.1882 NA KEGG NA NA +MJ038742 Dimetcarb C16H26N4O4 338.195405 NA MeJP NA NA +C09019 1-Acetylaspidoalbidine C21H26N2O2 338.1994 NA KEGG NA NA +C09041 Aspidospermatine C21H26N2O2 338.1994 NA KEGG NA NA +C09139 Coronaridine C21H26N2O2 338.1994 NA KEGG NA NA +C10940 Epicainide C21H26N2O2 338.1994 NA KEGG NA NA +MJ038743 1-[4-([1,1'-Biphenyl]-2-yloxy)-3-hydroxy-1-iminobutyl]piperidine C21H26N2O2 338.199428 NA MeJP NA NA +MJ038744 14,15-Dehydrovincadine C21H26N2O2 338.199428 NA MeJP NA NA +MJ038745 ?-Vincadifformine C21H26N2O2 338.199428 NA MeJP NA NA +MJ038746 Affinine; 16-Epimer, N-Me C21H26N2O2 338.199428 NA MeJP NA NA +MJ038747 Affinisine; 10-Methoxy C21H26N2O2 338.199428 NA MeJP NA NA +MJ038748 Akagerine; Me ether C21H26N2O2 338.199428 NA MeJP NA NA +MJ038749 Aspidoalbidine; N-Ac C21H26N2O2 338.199428 NA MeJP NA NA +MJ038750 Aspidofiline C21H26N2O2 338.199428 NA MeJP NA NA +MJ038751 Aspidofractinine, 12-Methoxy, N-formyl C21H26N2O2 338.199428 NA MeJP NA NA +MJ038752 Aspidospermatine C21H26N2O2 338.199428 NA MeJP NA NA +MJ038753 Cathafoline C21H26N2O2 338.199428 NA MeJP NA NA +MJ038754 Chrysotricine C21H26N2O2 338.199428 NA MeJP NA NA +MJ038755 Coronaridine C21H26N2O2 338.199428 NA MeJP NA NA +MJ038756 Epicainide C21H26N2O2 338.199428 NA MeJP NA NA +MJ038757 Epivincadine, 14,15-Didehydro C21H26N2O2 338.199428 NA MeJP NA NA +MJ038758 Geissoschizol; O-Ac C21H26N2O2 338.199428 NA MeJP NA NA +MJ038759 Kopsinine C21H26N2O2 338.199428 NA MeJP NA NA +MJ038760 Kribine; Me ether (17? -) C21H26N2O2 338.199428 NA MeJP NA NA +MJ038761 Kribine; Me ether (17? -) C21H26N2O2 338.199428 NA MeJP NA NA +MJ038762 Limatine C21H26N2O2 338.199428 NA MeJP NA NA +MJ038763 Macroline C21H26N2O2 338.199428 NA MeJP NA NA +MJ038764 Reflexine C21H26N2O2 338.199428 NA MeJP NA NA +MJ038765 Retuline C21H26N2O2 338.199428 NA MeJP NA NA +MJ038766 Seredamine C21H26N2O2 338.199428 NA MeJP NA NA +MJ038767 Spermostrychnine C21H26N2O2 338.199428 NA MeJP NA NA +MJ038768 Strychnosplendine; 19-Epimer, 3-deoxy, N1-Ac C21H26N2O2 338.199428 NA MeJP NA NA +MJ038769 Taberpsychine, 19Z-Isomer, N-methoxy C21H26N2O2 338.199428 NA MeJP NA NA +MJ038770 Talcarpine C21H26N2O2 338.199428 NA MeJP NA NA +MJ038771 Tetraphyllicine; 10-Methoxy C21H26N2O2 338.199428 NA MeJP NA NA +MJ038772 Vincadifformine C21H26N2O2 338.199428 NA MeJP NA NA +MJ038773 Vindolinine; 14,15-Dihydro C21H26N2O2 338.199428 NA MeJP NA NA +MJ038774 C-Alkaloid R C21H27N2O2(+) 338.199428 NA MeJP NA NA +MJ038775 Kopsinine; Parent acid, Nb-Me C21H27N2O2(+) 338.199428 NA MeJP NA NA +MJ038776 Macrosalhine C21H27N2O2(+) 338.199428 NA MeJP NA NA +MJ038777 Sarpagine; N1,N4-Di-Me C21H27N2O2(+) 338.199428 NA MeJP NA NA +MJ038778 Sarpagine; O10,N4-Di-Me C21H27N2O2(+) 338.199428 NA MeJP NA NA +MJ038779 N,3-Dimethyl-N-[1-methyl-3-(4-methyl-1-piperidinyl)propyl]benzenesulfonamide C18H30N2O2S 338.202798 NA MeJP NA NA +C14910 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one C20H28F2O2 338.2057 NA KEGG NA NA +C09725 Shiromodiol diacetate C19H30O5 338.2093 NA KEGG NA NA +MJ038780 1,6,10-Farnesatriene-3,5,8-triol; 5,8-Di-Ac C19H30O5 338.209324 NA MeJP NA NA +MJ038781 1,6,10-Farnesatriene-3,5,9-triol, 5,9-Di-Ac C19H30O5 338.209324 NA MeJP NA NA +MJ038782 1,6,10-Farnesatriene-3,9,12-triol, 9,12-Di-Ac C19H30O5 338.209324 NA MeJP NA NA +MJ038783 10,11-Epoxy-2,8-guaianediol, Di-Ac C19H30O5 338.209324 NA MeJP NA NA +MJ038784 16-Hydroxy-3-nor-4,15-dioxo-2,3-seco-2-dolabranoic acid C19H30O5 338.209324 NA MeJP NA NA +MJ038785 2,6,10-Farnesatriene-1,8,12-triol, 1,12-Di-Ac C19H30O5 338.209324 NA MeJP NA NA +MJ038786 2,6,10-Farnesatriene-1,8,12-triol, 1,8-Di-Ac C19H30O5 338.209324 NA MeJP NA NA +MJ038787 2,6,10-Farnesatriene-1,8,12-triol, 8,12-Di-Ac C19H30O5 338.209324 NA MeJP NA NA +MJ038788 3(15)-Caryophyllene-6,7,8-triol, 6,8-Di-Ac C19H30O5 338.209324 NA MeJP NA NA +MJ038789 3,6,10-Farnesatriene-1,5,15-triol, 1,15-Di-Ac C19H30O5 338.209324 NA MeJP NA NA +MJ038790 4,5-Epoxy-1(10)-germacrene-6,8-diol, Di-Ac C19H30O5 338.209324 NA MeJP NA NA +MJ038791 6,12,14-Trihydroxy-3(15)-caryophyllen-8-one, 6,14-Di-Me ether, 12-Ac C19H30O5 338.209324 NA MeJP NA NA +MJ038792 6,7-Epoxy-2-humulene-1,10-diol, Di-Ac C19H30O5 338.209324 NA MeJP NA NA +MJ038793 6-Guaiene-4,9,10-triol, 4,9-Di-Ac C19H30O5 338.209324 NA MeJP NA NA +MJ038794 7-Drimene-3,11,12-triol, 11,12-Dialdehyde, 3-Ac, 12-di-Me acetal C19H30O5 338.209324 NA MeJP NA NA +MJ038795 Gingerdiols; [6]-Gingerdiol, 3-Ac C19H30O5 338.209324 NA MeJP NA NA +MJ038796 Gingerdiols; [6]-Gingerdiol, 3-Epimer, 3-Ac C19H30O5 338.209324 NA MeJP NA NA +MJ038797 Gingerdiols; [6]-Gingerdiol, 3-Epimer, 5-Ac C19H30O5 338.209324 NA MeJP NA NA +MJ038798 Gingerdiols; [6]-Gingerdiol, 5-Ac C19H30O5 338.209324 NA MeJP NA NA +MJ038799 Idebenone C19H30O5 338.209324 NA MeJP NA NA +MJ038800 Piperonyl butoxide C19H30O5 338.209324 NA MeJP NA NA +MJ038801 Polygodial acetal; 3?-Acetoxy, 12-epimer C19H30O5 338.209324 NA MeJP NA NA +MJ038802 20-OH-Leukotriene B4 C19H30O5 338.209324 NA MeJP NA NA +MJ038803 Lisuride C20H26N4O 338.210661 NA MeJP NA NA +MJ038804 Norplakotenin C23H30O2 338.22458 NA MeJP NA NA +C15338 11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha- C20H31FO3 338.2257 NA KEGG NA NA +C15444 11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta- C20H31FO3 338.2257 NA KEGG NA NA +MJ038805 Limaspermine; 12,18-Dideoxy C22H30N2O 338.235813 NA MeJP NA NA +MJ038806 Pirmenol C22H30N2O 338.235813 NA MeJP NA NA +HMDB02265 14,15-DiHETrE C20H34O4 338.245697 NA HMDB2010 NA NA +HMDB02311 8,9-DiHETrE C20H34O4 338.245697 NA HMDB2010 NA NA +HMDB02314 11,12-DiHETrE C20H34O4 338.245697 NA HMDB2010 NA NA +HMDB02343 5,6-DHET C20H34O4 338.245697 NA HMDB2010 NA NA +HMDB02995 12-Keto-tetrahydro-leukotriene B4 C20H34O4 338.245697 NA HMDB2010 NA NA +EUR131 5,6-DHET C20H34O4 338.2457 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR132 8,9-DHET C20H34O4 338.2457 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR133 11,12-DHET C20H34O4 338.2457 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR134 14,15-DHET C20H34O4 338.2457 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR131 5,6-DHET C20H34O4 338.2457 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR132 8,9-DHET C20H34O4 338.2457 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR133 11,12-DHET C20H34O4 338.2457 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR134 14,15-DHET C20H34O4 338.2457 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR131 5,6-DHET C20H34O4 338.2457 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR132 8,9-DHET C20H34O4 338.2457 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR133 11,12-DHET C20H34O4 338.2457 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR134 14,15-DHET C20H34O4 338.2457 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02265 14,15-DiHETrE C20H34O4 338.2457 http://www.hmdb.ca/metabolites/HMDB02265 HMDB NA NA +HMDB02311 8,9-DiHETrE C20H34O4 338.2457 http://www.hmdb.ca/metabolites/HMDB02311 HMDB NA NA +HMDB02314 11,12-DiHETrE C20H34O4 338.2457 http://www.hmdb.ca/metabolites/HMDB02314 HMDB NA NA +HMDB02330 11,12-Dheta C20H34O4 338.2457 http://www.hmdb.ca/metabolites/HMDB02330 HMDB NA NA +HMDB02342 14,15-Dihydroxyeicosatrienoic acid C20H34O4 338.2457 http://www.hmdb.ca/metabolites/HMDB02342 HMDB NA NA +HMDB02343 5,6-DHET C20H34O4 338.2457 http://www.hmdb.ca/metabolites/HMDB02343 HMDB NA NA +HMDB02351 8,9-Dihydroxyeicosatrienoic acid C20H34O4 338.2457 http://www.hmdb.ca/metabolites/HMDB02351 HMDB NA NA +HMDB02995 12-keto-tetrahydro-Leukotriene B4 C20H34O4 338.2457 http://www.hmdb.ca/metabolites/HMDB02995 HMDB NA NA +EUR131 5,6-DHET C20H34O4 338.2457 Wishlist Inhousejuil11 NA NA +EUR132 8,9-DHET C20H34O4 338.2457 Wishlist Inhousejuil11 NA NA +EUR133 11,12-DHET C20H34O4 338.2457 Wishlist Inhousejuil11 NA NA +EUR134 14,15-DHET C20H34O4 338.2457 Wishlist Inhousejuil11 NA NA +C06088 Aphidicolin C20H34O4 338.2457 NA KEGG NA NA +C09205 Zoapatanol C20H34O4 338.2457 NA KEGG NA NA +C14772 5,6-DHET C20H34O4 338.2457 NA KEGG NA NA +C14773 8,9-DHET C20H34O4 338.2457 NA KEGG NA NA +C14774 11,12-DHET C20H34O4 338.2457 NA KEGG NA NA +C14775 14,15-DHET C20H34O4 338.2457 NA KEGG NA NA +HMDB02265 14,15-DiHETrE C20H34O4 338.2457 HMDB02265 PFEM_hmdb_metabocards_official NA NA +HMDB02311 8,9-DiHETrE C20H34O4 338.2457 HMDB02311 PFEM_hmdb_metabocards_official NA NA +HMDB02314 11,12-DiHETrE C20H34O4 338.2457 HMDB02314 PFEM_hmdb_metabocards_official NA NA +HMDB02330 11,12-Dheta C20H34O4 338.2457 HMDB02330 PFEM_hmdb_metabocards_official NA NA +HMDB02342 14,15-Dihydroxyeicosatrienoic acid C20H34O4 338.2457 HMDB02342 PFEM_hmdb_metabocards_official NA NA +HMDB02343 5,6-DHET C20H34O4 338.2457 HMDB02343 PFEM_hmdb_metabocards_official NA NA +HMDB02351 8,9-Dihydroxyeicosatrienoic acid C20H34O4 338.2457 HMDB02351 PFEM_hmdb_metabocards_official NA NA +HMDB02995 12-keto-tetrahydro-Leukotriene B4 C20H34O4 338.2457 HMDB02995 PFEM_hmdb_metabocards_official NA NA +MJ038807 1(15)-Dolastene-4,8,9,14-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038808 1,11,15,16-Devadaranetetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038809 1,15,19-Trihydroxy-2,6,10-phytatrien-14-one C20H34O4 338.245709 NA MeJP NA NA +MJ038810 1,20-Dihydroxy-2,6,10,14-phytatetraen-18-oic acid, 10,11-Dihydro C20H34O4 338.245709 NA MeJP NA NA +MJ038811 1,5,8-Trihydroxy-13-labden-12-one C20H34O4 338.245709 NA MeJP NA NA +MJ038812 1,6,10-Farnesatriene-3,14-diol, 14-O-(3-Hydroxy-3-methylbutanoyl) C20H34O4 338.245709 NA MeJP NA NA +MJ038813 11,12-Dihydroxy-5,8,14-eicosatrienoic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038814 11,13-Labdadiene-6,7,8,15-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038815 11-Hydroxy-9-oxo-13-prostenoic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038816 13,14,15-Trihydroxy-8(17)-labden-3-one C20H34O4 338.245709 NA MeJP NA NA +MJ038817 15,16-Dihydroxy-8(17)-labden-18-oic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038818 15-Hydroxy-3,4-seco-4(18),7-labdadien-3-oic acid, 4,18-Dihydro, 15-carboxylic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038819 2,15,16,17-Kauranetetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038820 2,15,16-Trihydroxy-13-cleroden-3-one C20H34O4 338.245709 NA MeJP NA NA +MJ038821 2,15-Dihydroxy-1(10)-halimen-18-oic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038822 2,3,16,17-Kauranetetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038823 2,6,10,14-Phytatetraene-1,16,18,19-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038824 2,6,10,14-Phytatetraene-1,16,18,20-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038825 2,6,10,14-Phytatetraene-1,18,19,20-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038826 2,6,10,14-Phytatetraene-1,8,12,19-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038827 2,6-Dimethyl-2,6-octadiene-1,8-diol, Bis(3-methylbutanoyl) C20H34O4 338.245709 NA MeJP NA NA +MJ038828 2,7,10-Cembratriene-4,6,12-triol, 12-Hydroperoxide C20H34O4 338.245709 NA MeJP NA NA +MJ038829 2,7,12(20)-Cembratriene-4,6,11-triol, 11-Hydroperoxide C20H34O4 338.245709 NA MeJP NA NA +MJ038830 2,8(19),12(20)-Cembratriene-4,6,7,11-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038831 2-Hydroxy-3-oxo-15-clerodanoic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038832 3,13-Clerodadiene-15,16,18,19-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038833 3,13-Clerodadiene-6,15,16,19-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038834 3,15-Dihydroxy-8(17)-labden-19-oic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038835 3,19-Dihydroxy-5-halimen-15-oic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038836 3,4-Dihydroxy-15-clerodanoic acid, 13,14-Didehydro (E-) C20H34O4 338.245709 NA MeJP NA NA +MJ038837 3,4-Epoxy-13-clerodene-2,15-diol, 16-Hydroxy C20H34O4 338.245709 NA MeJP NA NA +MJ038838 3,7-Dolabelladien-18-ol, ?2-Isomer C20H34O4 338.245709 NA MeJP NA NA +MJ038839 3,8(17)-Dolabelladiene-2,7,16,18-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038840 3,8,15,16-Pimaranetetrol, 3-Ketone C20H34O4 338.245709 NA MeJP NA NA +MJ038841 3-Clerodene-15,18,19-triol, 15-Carboxylic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038842 4,15,16-Trihydroxy-4,5-seco-5-rosanone, 4-Deoxy, 4,18-didehydro, 4?,18-epoxide C20H34O4 338.245709 NA MeJP NA NA +MJ038843 4,8,11-Trihydroxy-2,12(20)-cembradien-6-one C20H34O4 338.245709 NA MeJP NA NA +MJ038844 5,14-Dihydroxy-3-visciden-20-oic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038845 5,16-Dihydroxy-3-visciden-20-oic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038846 5,8,9-Daucanetriol, 9-Angeloyl C20H34O4 338.245709 NA MeJP NA NA +MJ038847 5,8,9-Trihydroxy-13-labden-12-one C20H34O4 338.245709 NA MeJP NA NA +MJ038848 5-Rosene-2,3,15,16-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038849 5-Rosene-3,15,16,18-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038850 5-Rosene-3,15,16,19-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038851 5-Tridecyl-1,3-benzenediol; 2'R,8'S-Dihydroxy, 3-Me ether C20H34O4 338.245709 NA MeJP NA NA +MJ038852 6,13-Epoxy-3-eunicellene-8,9,12-triol C20H34O4 338.245709 NA MeJP NA NA +MJ038853 6,13-Epoxy-4(18)-eunicellene-8,9,12-triol C20H34O4 338.245709 NA MeJP NA NA +MJ038854 6,15-Dihydroxy-7-labden-17-oic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038855 6,15-Dihydroxy-8-labden-17-oic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038856 6,8-Dihydroxy-11-isopropyl-4,8-dimethyl-14-oxo-4,9-pentadecadienal C20H34O4 338.245709 NA MeJP NA NA +MJ038857 6,8-Dihydroxy-13-labden-15-oic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038858 6,8-Dihydroxy-15-labdanoic acid, 13E,14-Didehydro C20H34O4 338.245709 NA MeJP NA NA +MJ038859 6-Hydroxy-9,12-octadecadienoic acid, 6-Ac C20H34O4 338.245709 NA MeJP NA NA +MJ038860 7,13-Labdadiene-2,15,16,17-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038861 7,15-Dihydroxy-8-labden-17-oic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038862 7,18-Dihydroxy-8(17)-labden-15-oic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038863 7,8-Dihydroxy-13-labden-15-oic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038864 7-Labdene-2,3,15-triol, 15-Carboxylic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038865 7-Pimarene-2,15,16,18-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038866 7-Pimarene-3,15,16,17-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038867 7-Pimarene-3,15,16,18-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038868 8(14)-Abietene-7,12,13,18-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038869 8(14)-Abietene-7,13,15,18-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038870 8(14)-Daucene-4,6,9-triol, 6-(3-Methylbutanoyl) C20H34O4 338.245709 NA MeJP NA NA +MJ038871 8(14)-Isopimarene-2,15,16,18-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038872 8(14)-Pimarene-2,15,16,19-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038873 8(14)-Pimarene-2,3,15,16-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038874 8(14)-Pimarene-6,15,16,18-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038875 8(17),13-Labdadiene-2,7,15,19-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038876 8(17)-Labdene-3,7,15-triol, 15-Carboxylic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038877 8,11-Epoxy-2,12(20)-cembradiene-4,6,7-triol C20H34O4 338.245709 NA MeJP NA NA +MJ038878 8,11-Epoxy-4,12-dihydroxy-2-cembren-6-one C20H34O4 338.245709 NA MeJP NA NA +MJ038879 8,12-Epoxy-13-labden-1-ol, 6?,11?-Dihydroxy C20H34O4 338.245709 NA MeJP NA NA +MJ038880 8,12-Epoxy-13-labdene-15,16-diol, 13S,14S-Epoxide C20H34O4 338.245709 NA MeJP NA NA +MJ038881 8,12-Epoxy-13-labdene-15,16-diol, 13S,14R-Epoxide C20H34O4 338.245709 NA MeJP NA NA +MJ038882 8,13-Dihydroxy-14-labden-19-oic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038883 8,13-Epoxy-14,15-dihydroxy-3-labdanone C20H34O4 338.245709 NA MeJP NA NA +MJ038884 8,13-Epoxy-14-labdene-6,16,18-triol C20H34O4 338.245709 NA MeJP NA NA +MJ038885 8,13-Epoxy-18-hydroxy-15-labdanoic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038886 8,13-Epoxy-3-hydroxy-15-labdanoic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038887 8,13-Epoxy-4-hydroxy-3,4-seco-14-labden-3-oic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038888 8,13-Labdadiene-2,6,15,18-tetrol C20H34O4 338.245709 NA MeJP NA NA +MJ038889 8,15,19-Trihydroxy-13-labden-7-one C20H34O4 338.245709 NA MeJP NA NA +MJ038890 8,15-Dihydroxy-13-labden-19-oic acid C20H34O4 338.245709 NA MeJP NA NA +MJ038891 8,15-Epoxy-3,12,16-pimaranetriol C20H34O4 338.245709 NA MeJP NA NA +MJ038892 8,9-Epoxy-4,6-daucanediol, 6-(3-Methylbutanoyl) C20H34O4 338.245709 NA MeJP NA NA +MJ038893 8-Daucene-4,6,10-triol, 6-(2-Methylbutanoyl) C20H34O4 338.245709 NA MeJP NA NA +MJ038894 8-Methylpodopyrone; 10'-Hydroxy C20H34O4 338.245709 NA MeJP NA NA +MJ038895 9-Daucene-4,6,8-triol, 6-(3-Methylbutanoyl) C20H34O4 338.245709 NA MeJP NA NA +MJ038896 Aphidicolin C20H34O4 338.245709 NA MeJP NA NA +MJ038897 Betaenone E C20H34O4 338.245709 NA MeJP NA NA +MJ038898 Cycloschkuriadiol C20H34O4 338.245709 NA MeJP NA NA +MJ038899 Ebelactone A C20H34O4 338.245709 NA MeJP NA NA +MJ038900 Jewenol B C20H34O4 338.245709 NA MeJP NA NA +MJ038901 Neoconcinndiol hydroperoxide C20H34O4 338.245709 NA MeJP NA NA +MJ038902 Nuapapuin A; Me ester C20H34O4 338.245709 NA MeJP NA NA +MJ038903 Nuapapuin B C20H34O4 338.245709 NA MeJP NA NA +MJ038904 Plakortide J C20H34O4 338.245709 NA MeJP NA NA +MJ038905 Podoblastin A C20H34O4 338.245709 NA MeJP NA NA +MJ038906 Portulal; 19-Alcohol C20H34O4 338.245709 NA MeJP NA NA +MJ038907 Sclerophytin A C20H34O4 338.245709 NA MeJP NA NA +MJ038908 Zoapatanol C20H34O4 338.245709 NA MeJP NA NA +EUR131 5,6-DHET C20H34O4 338.24571 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR132 8,9-DHET C20H34O4 338.24571 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR133 11,12-DHET C20H34O4 338.24571 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR134 14,15-DHET C20H34O4 338.24571 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR131 5,6-DHET C20H34O4 338.24571 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR132 8,9-DHET C20H34O4 338.24571 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR133 11,12-DHET C20H34O4 338.24571 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR134 14,15-DHET C20H34O4 338.24571 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR131 5,6-DHET C20H34O4 338.24571 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR132 8,9-DHET C20H34O4 338.24571 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR133 11,12-DHET C20H34O4 338.24571 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR134 14,15-DHET C20H34O4 338.24571 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR131 5,6-DHET C20H34O4 338.24571 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR132 8,9-DHET C20H34O4 338.24571 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR133 11,12-DHET C20H34O4 338.24571 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR134 14,15-DHET C20H34O4 338.24571 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR131 5,6-DHET C20H34O4 338.24571 Wishlist HMDB NA NA +EUR132 8,9-DHET C20H34O4 338.24571 Wishlist HMDB NA NA +EUR133 11,12-DHET C20H34O4 338.24571 Wishlist HMDB NA NA +EUR134 14,15-DHET C20H34O4 338.24571 Wishlist HMDB NA NA +EUR131 5,6-DHET C20H34O4 338.24571 Wishlist Inhouse_PFEM NA NA +EUR132 8,9-DHET C20H34O4 338.24571 Wishlist Inhouse_PFEM NA NA +EUR133 11,12-DHET C20H34O4 338.24571 Wishlist Inhouse_PFEM NA NA +EUR134 14,15-DHET C20H34O4 338.24571 Wishlist Inhouse_PFEM NA NA +EUR131 5,6-DHET C20H34O4 338.24571 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR132 8,9-DHET C20H34O4 338.24571 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR133 11,12-DHET C20H34O4 338.24571 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR134 14,15-DHET C20H34O4 338.24571 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR131 5,6-DHET C20H34O4 338.24571 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR132 8,9-DHET C20H34O4 338.24571 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR133 11,12-DHET C20H34O4 338.24571 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR134 14,15-DHET C20H34O4 338.24571 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR488 5,6-DHET F1 C20H34O5 338.247625 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR488 5,6-DHET F1 NA 338.247625 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR488 5,6-DHET F1 C20H34O5 338.247625 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR488 5,6-DHET F1 NA 338.247625 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR488 5,6-DHET F1 C20H34O5 338.247625 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR488 5,6-DHET F1 NA 338.247625 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR488 5,6-DHET F1 C20H34O5 338.247625 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR488 5,6-DHET F1 C20H34O5 338.247625 standards wishlist analysés sur QTOF HMDB NA NA +EUR488 5,6-DHET F1 C20H34O5 338.247625 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR488 5,6-DHET F1 NA 338.247625 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR488 5,6-DHET F1 C20H34O5 338.247625 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR488 5,6-DHET F1 C20H34O5 338.247625 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ038909 5-[[(Octahydro-2H-quinolizin-1-yl)methyl]amino]-5-oxopentanoic acid, Butyl ester C19H34N2O3 338.256942 NA MeJP NA NA +MJ038910 3-(12-Phenyldodecyl)phenol C24H34O 338.260965 NA MeJP NA NA +C14915 3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol C24H34O 338.261 NA KEGG NA NA +C13772 Clofilium C21H37ClN 338.2615 NA KEGG NA NA +MJ038911 3-(15-Hexadecynylidene)dihydro-4-hydroxy-5-methyl-2(3H)-furanone, 15',15',16',16'-Tetrahydro C21H38O3 338.282095 NA MeJP NA NA +MJ038912 3-(15-Hexadecynylidene)dihydro-4-hydroxy-5-methyl-2(3H)-furanone, 15',16'-Tetrahydro C21H38O3 338.282095 NA MeJP NA NA +MJ038913 3-(7-Hexadecenyl)-3,4-dihydro-4-hydroxy-5-methyl-2(5H)-furanone C21H38O3 338.282095 NA MeJP NA NA +MJ038914 3-Hexadecyl-5-hydroxy-5-methyl-2(5H)-furanone C21H38O3 338.282095 NA MeJP NA NA +MJ038915 3-Hexadecyldihydro-4-hydroxy-5-methylene-2(3H)-furanone C21H38O3 338.282095 NA MeJP NA NA +MJ038916 5-(8-Heptadecenyl)dihydro-3-hydroxy-2(3H)-furanone C21H38O3 338.282095 NA MeJP NA NA +MJ038917 5-Hexadecyl-5-methoxy-2(5H)-furanone C21H38O3 338.282095 NA MeJP NA NA +MJ038918 8-Hydroxy-18-labdanoic acid, Me ether C21H38O3 338.282095 NA MeJP NA NA +MJ038919 8-Labdene-3,7,15-triol, 3-Me ether C21H38O3 338.282095 NA MeJP NA NA +MJ038920 8-Labdene-3,7,15-triol, 7-Me ether C21H38O3 338.282095 NA MeJP NA NA +MJ038921 Plakortone B; 7,8,11,12-Tetrahydro C21H38O3 338.282095 NA MeJP NA NA +HMDB02068 Erucic acid C22H42O2 338.31848 http://www.hmdb.ca/metabolites/HMDB02068 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02068 Erucic acid C22H42O2 338.31848 http://www.hmdb.ca/metabolites/HMDB02068 HMDB NA NA +HMDB02884 Cetoleic acid C22H42O2 338.31848 http://www.hmdb.ca/metabolites/HMDB02884 HMDB NA NA +MJ038922 11-Docosenoic acid C22H42O2 338.31848 NA MeJP NA NA +MJ038923 12-Docosenoic acid C22H42O2 338.31848 NA MeJP NA NA +MJ038924 13-Docosenoic acid C22H42O2 338.31848 NA MeJP NA NA +MJ038925 15-Docosenoic acid C22H42O2 338.31848 NA MeJP NA NA +MJ038926 16-Methyl-9-heptadecen-1-ol, 2-Methylpropanoyl C22H42O2 338.31848 NA MeJP NA NA +MJ038927 2,4-Dimethyl-2-eicosenoic acid C22H42O2 338.31848 NA MeJP NA NA +MJ038928 2-Docosenoic acid C22H42O2 338.31848 NA MeJP NA NA +MJ038929 22-Hydroxydocosanoic acid; Lactone C22H42O2 338.31848 NA MeJP NA NA +MJ038930 4,6-Docosanedione C22H42O2 338.31848 NA MeJP NA NA +MJ038931 5,7-Docosanedione C22H42O2 338.31848 NA MeJP NA NA +MJ038932 5-Docosenoic acid C22H42O2 338.31848 NA MeJP NA NA +MJ038933 6,8-Docosanedione C22H42O2 338.31848 NA MeJP NA NA +MJ038934 7,9-Docosanedione C22H42O2 338.31848 NA MeJP NA NA +HMDB02068 Erucic acid C22H42O2 338.31848 http://www.hmdb.ca/metabolites/HMDB02068 PFEM_hmdb_metabocards_blood NA blood +HMDB02068 Erucic acid C22H42O2 338.31848 HMDB02068 PFEM_hmdb_metabocards_official NA NA +HMDB02884 Cetoleic acid C22H42O2 338.31848 HMDB02884 PFEM_hmdb_metabocards_official NA NA +HMDB02068 Erucic acid C22H42O2 338.318481 NA HMDB2010 NA NA +HMDB02884 Cetoleic acid C22H42O2 338.318481 NA HMDB2010 NA NA +C08316 (13Z)-Docosenoic acid C22H42O2 338.3185 NA KEGG NA NA +MJ038935 10-Tricosanone C23H46O 338.354866 NA MeJP NA NA +MJ038936 2-Methyltricosane C24H50 338.391251 NA MeJP NA NA +MJ038937 3-Methyltricosane C24H50 338.391251 NA MeJP NA NA +MJ038938 Tetracosane C24H50 338.391251 NA MeJP NA NA +3129 ester transferases inhibitor WRMW 338.6497 MH2+ Inhouse_peptide NA peptide +MJ038939 Dichloro(1,2-propanediamine-N,N')platinum C3H10Cl2N2Pt 338.986878 NA MeJP NA NA +C03789 N,6-O-Disulfo-D-glucosamine C6H13NO11S2 338.993 NA KEGG NA NA +MetaCyc02989 N,6-O-disulfo-D-glucosamine [] C6H13N1O11S2 338.993002 NA metacyc NA NA +MJ038940 Clamidoxic acid C15H11Cl2NO4 339.006513 NA MeJP NA NA +MJ038941 Aclantate C15H14ClNO4S 339.033206 NA MeJP NA NA +HMDB06273 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate C9H14N3O9P 339.046753 NA HMDB2010 NA NA +HMDB12268 N5-Carboxyaminoimidazole ribonucleotide C9H14N3O9P 339.046753 NA HMDB2010 NA NA +MJ038942 5-Amino-1-(5-O-phosphono-?-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid C9H14N3O9P 339.046765 NA MeJP NA NA +MJ038943 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate C9H14N3O9P 339.046765 NA MeJP NA NA +MetaCyc02990 4-carboxyaminoimidazole ribonucleotide [1-(5-phosphoribosyl)-4-carboxy-5-aminoimidazole;5'-P-ribosyl-4-carboxy-5-aminoimidazole;5'-phosphoribosyl-4-carboxy-5-aminoimidazole;5-phosphoribosyl-4-carboxy-5-aminoimidazole;1-(5'-phosphoribosyl)-5-amino-4-imidazole carboxylate;1-(5'-phosphoribosyl)-4-carboxy-5-aminoimidazole;CAIR;5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate;phosphoribosyl-carboxy-aminoimidazole;] C9H14N3O9P1 339.046766 NA metacyc NA NA +HMDB06273 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate C9H14N3O9P 339.04678 http://www.hmdb.ca/metabolites/HMDB06273 HMDB NA NA +HMDB06273 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate C9H14N3O9P 339.04678 HMDB06273 PFEM_hmdb_metabocards_official NA NA +C04751 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate C9H14N3O9P 339.0468 NA KEGG NA NA +C15667 5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole C9H14N3O9P 339.0468 NA KEGG NA NA +MJ038944 Cefacetrile C13H13N3O6S 339.052505 NA MeJP NA NA +MetaCyc02991 glutathione-sulfide [] C10H17N3O6S2 339.055877 NA metacyc NA NA +C17267 S-Sulfanylglutathione C10H17N3O6S2 339.0559 NA KEGG NA NA +PJ000383 CCD C10H17N3O6S2 339.0559 NA PeJP NA NA +C04908 1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2- C14H18N3O2 339.0582 NA KEGG NA NA +C04909 alpha-D-Glucosyl-1,6-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,3-1-O- C22H36O19R2 339.0582 NA KEGG NA NA +C04910 1,3-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-1,3-beta-D-galactosyl- C45H79N2O23R 339.0582 NA KEGG NA NA +C04911 D-Galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D- C56H96N3O31R 339.0582 NA KEGG NA NA +C04913 N-Acetyl-beta-D-galactosaminyl-1,4-beta-D-glucuronyl-N-acetyl-1,3- C49H76N4O39R2 339.0582 NA KEGG NA NA +C04914 alpha-D-Mannosyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2-alpha-D- C26H44NO21R 339.0582 NA KEGG NA NA +MetaCyc02992 1-(4-hydroxy-2-methylpyrimid-5-ylmethyl)-3-(β-hydroxyethyl)-2-methylpyridinium bromide [] C14H18N3O2BR1 339.058239 NA metacyc NA NA +MetaCyc02993 1-(5-phosphoribosyl)imidazole-4-acetate [] C10H16N2O9P1 339.059342 NA metacyc NA NA +MJ038945 Aristolactam C II; 9-Methoxy, 1'-carboxylic acid, O2-de-Me C18H13NO6 339.074287 NA MeJP NA NA +MJ038946 Sauvagnine; 3,4-Dihydro C18H13NO6 339.074287 NA MeJP NA NA +MJ038947 Sulfacecole C14H17N3O5S 339.088891 NA MeJP NA NA +PJ000384 SCM C11H21N3O5S2 339.0923 NA PeJP NA NA +HMDB10362 6-Hydroxy-5-methoxyindole glucuronide C15H17NO8 339.095428 NA HMDB2010 NA NA +HMDB10363 5-Hydroxy-6-methoxyindole glucuronide C15H17NO8 339.095428 NA HMDB2010 NA NA +HMDB05034 Topiramate C12H21NO8S 339.098785 NA HMDB2010 NA NA +MJ038948 2,3:4,5-Di-O-isopropylidenefructopyranose; ?-D-form, Sulfamoyl C12H21NO8S 339.098787 NA MeJP NA NA +MJ038949 Alliin; (R)C(S)S-form, N-(1-Deoxy-?-D-fructopyranosyl) C12H21NO8S 339.098787 NA MeJP NA NA +MJ038950 Clinacoside C C12H21NO8S 339.098787 NA MeJP NA NA +HMDB05034 Topiramate C12H21NO8S 339.09879 http://www.hmdb.ca/metabolites/HMDB05034 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05034 Topiramate C12H21NO8S 339.09879 http://www.hmdb.ca/metabolites/HMDB05034 HMDB NA NA +HMDB05034 Topiramate C12H21NO8S 339.09879 http://www.hmdb.ca/metabolites/HMDB05034 PFEM_hmdb_metabocards_blood NA blood +HMDB05034 Topiramate C12H21NO8S 339.09879 HMDB05034 PFEM_hmdb_metabocards_official NA NA +C07502 Topiramate C12H21NO8S 339.0988 NA KEGG NA NA +CJneg0540 Indoleacetyl glutamine [(M+Cl)]- C15H17ClN3O4 339.099125 C18rt(min)=6.05 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0540 Indoleacetyl glutamine [(M+Cl)]- C15H17ClN3O4 339.099125 C18rt(min)=6.05 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ038951 Vulgaxanthin II; 5-Amide C14H17N3O7 339.106649 NA MeJP NA NA +C08568 Vulgaxanthin-I C14H17N3O7 339.1067 NA KEGG NA NA +MJ038952 3-(1,1-Dimethoxy-2-oxoethoxy)-9,10-dihydro-1-methoxy-9-oxo-4-acridinecarboxaldehyde C19H17NO5 339.110672 NA MeJP NA NA +MJ038953 8-Oxopseudopalmatine; O2,O10-Di-de-Me C19H17NO5 339.110672 NA MeJP NA NA +MJ038954 Aristolactam C II; 9-Methoxy C19H17NO5 339.110672 NA MeJP NA NA +MJ038955 Aristoyagonine C19H17NO5 339.110672 NA MeJP NA NA +MJ038956 Berbithine C19H17NO5 339.110672 NA MeJP NA NA +MJ038957 Canadine, 8-Oxo, O9-de-Me C19H17NO5 339.110672 NA MeJP NA NA +MJ038958 Cassythidine C19H17NO5 339.110672 NA MeJP NA NA +MJ038959 Citracridone III C19H17NO5 339.110672 NA MeJP NA NA +MJ038960 Crinasiadine; N-(3-Methoxycarbonylpropyl) C19H17NO5 339.110672 NA MeJP NA NA +MJ038961 Dioxamine C19H17NO5 339.110672 NA MeJP NA NA +MJ038962 Eschscholtzine, N-Oxide C19H17NO5 339.110672 NA MeJP NA NA +MJ038963 Graveoline; 5',8-Dimethoxy C19H17NO5 339.110672 NA MeJP NA NA +MJ038964 Guattescidine; 11-Methoxy C19H17NO5 339.110672 NA MeJP NA NA +MJ038965 Guattescidine; 3-Methoxy C19H17NO5 339.110672 NA MeJP NA NA +MJ038966 Imeluteine; O9-De-Me C19H17NO5 339.110672 NA MeJP NA NA +MJ038967 Mofezolac C19H17NO5 339.110672 NA MeJP NA NA +MJ038968 N-Desmethyl-1,2-dihydro-1-hydroxyacronycine; 1-Ketone, N-hydroxy C19H17NO5 339.110672 NA MeJP NA NA +MJ038969 Nandigerine, N-Formyl C19H17NO5 339.110672 NA MeJP NA NA +MJ038970 Norchelidonine C19H17NO5 339.110672 NA MeJP NA NA +MJ038971 Ovigerine, 3-Methoxy C19H17NO5 339.110672 NA MeJP NA NA +MJ038972 Reframidine, N-Oxide (R-) C19H17NO5 339.110672 NA MeJP NA NA +MJ038973 Reframidine, N-Oxide (S-) C19H17NO5 339.110672 NA MeJP NA NA +MJ038974 Rutacridone; 1',2'-Epoxide, 1-hydroxy C19H17NO5 339.110672 NA MeJP NA NA +MJ038975 Rutacridone; 1',2'-Epoxide, 3'-hydroxy C19H17NO5 339.110672 NA MeJP NA NA +MJ038976 Rutagravine C19H17NO5 339.110672 NA MeJP NA NA +MJ038977 Sonodione; N-De-Me C19H17NO5 339.110672 NA MeJP NA NA +MJ038978 Sonodione; O1-De-Me C19H17NO5 339.110672 NA MeJP NA NA +MJ038979 Stylopine, 13?-Hydroxy C19H17NO5 339.110672 NA MeJP NA NA +MJ038980 Tetrahydrothalifendine, 8-Oxo C19H17NO5 339.110672 NA MeJP NA NA +MJ038981 Cyprazepam C19H18ClN3O 339.113839 NA MeJP NA NA +MJ038982 Melithiazole C C16H21NO5S 339.114043 NA MeJP NA NA +MJ038983 Moguisteine C16H21NO5S 339.114043 NA MeJP NA NA +MJ038984 Anabaena flos-aquae Antibiotic C12H21NO10 339.116545 NA MeJP NA NA +MJ038985 Kanagawamicin C13H17N5O6 339.117883 NA MeJP NA NA +MJ038986 Loxoribine C13H17N5O6 339.117883 NA MeJP NA NA +MJ038987 Phosphinothricylalanylserine C11H22N3O7P 339.119536 NA MeJP NA NA +MJ038988 N-[[3-[5-(3-Formylphenyl)-2-pyridinyl]-2-oxo-5-oxazolidinyl]methyl]acetamide C18H17N3O4 339.121906 NA MeJP NA NA +MJ038989 Pinafide C18H17N3O4 339.121906 NA MeJP NA NA +MJ038990 Panipenem C15H21N3O4S 339.125276 NA MeJP NA NA +PJ000385 ACF C15H21N3O4S 339.1253 NA PeJP NA NA +C11152 Tetraphenylphosphonium C24H20P 339.1303 NA KEGG NA NA +HMDB13200 5-Hydroxytryptophol glucuronide C16H21NO7 339.131805 NA HMDB2010 NA NA +MJ038991 Piriqualone C22H17N3O 339.137162 NA MeJP NA NA +7636 ACE inhibitor from k-CN (fr, 78-80) SHP 339.142 antioxidative Inhouse_peptide NA peptide +8034 synthetic peptide PHS 339.142 antibacterial Inhouse_peptide NA peptide +PJ000386 GTY C15H21N3O6 339.143 NA PeJP NA NA +MJ038992 1,2,3-Trihydroxyacridone; O2,N-Di-Me, 3-O-(3-methyl-2-butenyl) C20H21NO4 339.147058 NA MeJP NA NA +MJ038993 1,3,5-Trihydroxy-2-prenylacridone; N,5-Di-Me C20H21NO4 339.147058 NA MeJP NA NA +MJ038994 Amurensine; Me ether C20H21NO4 339.147058 NA MeJP NA NA +MJ038995 Bulbocapnine, Me ether C20H21NO4 339.147058 NA MeJP NA NA +MJ038996 Buxifoline, N-Me C20H21NO4 339.147058 NA MeJP NA NA +MJ038997 Canadine C20H21NO4 339.147058 NA MeJP NA NA +MJ038998 Cavidine, O2-De-Me C20H21NO4 339.147058 NA MeJP NA NA +MJ038999 Cavidine, O3-De-Me C20H21NO4 339.147058 NA MeJP NA NA +MJ039000 Cheilanthifoline, Me ether C20H21NO4 339.147058 NA MeJP NA NA +MJ039001 Chilenamine C20H21NO4 339.147058 NA MeJP NA NA +MJ039002 Clausamine F; 1-Me ether C20H21NO4 339.147058 NA MeJP NA NA +MJ039003 Corydine, 6a,7-Didehydro C20H21NO4 339.147058 NA MeJP NA NA +MJ039004 Crebanine C20H21NO4 339.147058 NA MeJP NA NA +MJ039005 Crotonosine, Me ether, N-Ac C20H21NO4 339.147058 NA MeJP NA NA +MJ039006 Dicentrine C20H21NO4 339.147058 NA MeJP NA NA +MJ039007 Eschscholtzidine C20H21NO4 339.147058 NA MeJP NA NA +MJ039008 Glaucine, N-De-Me, 6,6a-didehydro C20H21NO4 339.147058 NA MeJP NA NA +MJ039009 Glycocitrine I C20H21NO4 339.147058 NA MeJP NA NA +MJ039010 Goudotianine C20H21NO4 339.147058 NA MeJP NA NA +MJ039011 Haplophylline C20H21NO4 339.147058 NA MeJP NA NA +MJ039012 Isopiline, Me ether, N-formyl C20H21NO4 339.147058 NA MeJP NA NA +MJ039013 Litebamine C20H21NO4 339.147058 NA MeJP NA NA +MJ039014 Melosmine; 4,5-Dihydro C20H21NO4 339.147058 NA MeJP NA NA +MJ039015 Nantenine C20H21NO4 339.147058 NA MeJP NA NA +MJ039016 Nuciferine, N-De-Me, N-methoxycarbonyl C20H21NO4 339.147058 NA MeJP NA NA +MJ039017 Oliveridine, Me ether C20H21NO4 339.147058 NA MeJP NA NA +MJ039018 Papaverine C20H21NO4 339.147058 NA MeJP NA NA +MJ039019 Podocarpamide C20H21NO4 339.147058 NA MeJP NA NA +MJ039020 Reframoline, Me ether C20H21NO4 339.147058 NA MeJP NA NA +MJ039021 Thalicthuberine; 3-O-De-Me C20H21NO4 339.147058 NA MeJP NA NA +MJ039022 Thalicthuberine; N-De-Me C20H21NO4 339.147058 NA MeJP NA NA +MJ039023 Thalictricavine, O10-De-Me C20H21NO4 339.147058 NA MeJP NA NA +MJ039024 Bulbocapnine, N-Me C20H22NO4(+) 339.147058 NA MeJP NA NA +MJ039025 Canadine, O10-De-Me, N-Me C20H22NO4(+) 339.147058 NA MeJP NA NA +MJ039026 Caryachine, N-Me C20H22NO4(+) 339.147058 NA MeJP NA NA +MJ039027 Domesticine, N-Me C20H22NO4(+) 339.147058 NA MeJP NA NA +MJ039028 Neocaryachine; N-Me C20H22NO4(+) 339.147058 NA MeJP NA NA +MJ039029 Papaverine; 3'-O-De-Me, N-Me C20H22NO4(+) 339.147058 NA MeJP NA NA +MJ039030 (S)-Canadine C20H21NO4 339.147058 NA MeJP NA NA +MetaCyc02994 S-canadine [(S)-tetrahydroberberine;(S)-tetrahydroprotoberberine;(S)-canadine;(S)-tetrahydroprotoberberine;(13aS)-5, 8, 13, 13a-tetrahydro-9, 10-dimethoxy-6H-benzo[g] -1,3-benzodioxolo[5, 6-a]quinolizine;] C20H21N1O4 339.147058 5096-57-1 metacyc NA NA +MetaCyc02995 (S)-canadine [(S)-7,8,13,14-tetrahydroprotoberberine;] C20H21N1O4 339.147058 NA metacyc NA NA +MetaCyc02996 (R)-canadine [] C20H21N1O4 339.147058 NA metacyc NA NA +C03329 (S)-Canadine C20H21NO4 339.1471 NA KEGG NA NA +C03330 (Ubiquitin)n-calmodulin C20H21NO4 339.1471 NA KEGG NA NA +C03336 17alpha-Hydroxysteroid C20H21NO4 339.1471 NA KEGG NA NA +C06533 Papaverine C20H21NO4 339.1471 NA KEGG NA NA +C09426 Eschscholtzidine C20H21NO4 339.1471 NA KEGG NA NA +C10666 Evoprenine C20H21NO4 339.1471 NA KEGG NA NA +C11818 (R)-Canadine C20H21NO4 339.1471 NA KEGG NA NA +C17426 Dicentrine C20H21NO4 339.1471 NA KEGG NA NA +C17898 Sinactine C20H21NO4 339.1471 NA KEGG NA NA +MJ039031 Dorastine C20H22ClN3 339.150225 NA MeJP NA NA +MJ039032 Camiglibose C13H25NO9 339.152931 NA MeJP NA NA +MJ039033 Arginidiene C14H21N5O5 339.154268 NA MeJP NA NA +PJ000387 SPH C14H21N5O5 339.1543 NA PeJP NA NA +MetaCyc02997 nicotine-Glucuronide [] C16H23N2O6 339.155611 NA metacyc NA NA +3504 ACE inhibitor (bCN fr,59-64) VYPFPG 339.162 MH2+ Inhouse_peptide NA peptide +MJ039034 Neomycin G; 6-Deoxy, 6-amino C12H25N3O8 339.164164 NA MeJP NA NA +MJ039035 4-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-2,6-piperidinedione, 5R-Acetoxy C17H25NO6 339.168187 NA MeJP NA NA +MJ039036 Aucherine C17H25NO6 339.168187 NA MeJP NA NA +MJ039037 Croaegyptine C17H25NO6 339.168187 NA MeJP NA NA +C16903 Perazine C20H25N3S 339.1769 NA KEGG NA NA +MJ039038 Perazine C20H25N3S 339.176918 NA MeJP NA NA +7988 synthetic peptide LHA 339.179 hypotensive Inhouse_peptide NA peptide +C11775 Xamoterol C16H25N3O5 339.1794 NA KEGG NA NA +MJ039039 Xamoterol C16H25N3O5 339.17942 NA MeJP NA NA +C07818 Mepenzolate C21H25NO3 339.1834 NA KEGG NA NA +C08027 Nalmefene C21H25NO3 339.1834 NA KEGG NA NA +C08028 Transferred to D00848 C21H25NO3 339.1834 NA KEGG NA NA +C15014 3-(2-Propenyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime C21H25NO3 339.1834 NA KEGG NA NA +MJ039040 2-Methoxyatherosperminine C21H25NO3 339.183443 NA MeJP NA NA +MJ039041 Fissicesine C21H25NO3 339.183443 NA MeJP NA NA +MJ039042 Nalmefene C21H25NO3 339.183443 NA MeJP NA NA +MJ039043 Pipernonaline; 4,5-Didehydro C21H25NO3 339.183443 NA MeJP NA NA +MJ039044 Pipethanate C21H25NO3 339.183443 NA MeJP NA NA +MJ039045 Thalicsessine; N-De(2-hydroxyethyl), N-Me C21H25NO3 339.183443 NA MeJP NA NA +MJ039046 Poldine C21H26NO3(+) 339.183443 NA MeJP NA NA +3562 NA RKNVY 339.18445 MH2+ Inhouse_peptide NA peptide +MJ039047 Penthienate C18H30NO3S(+) 339.186814 NA MeJP NA NA +PJ000388 ALH C15H25N5O4 339.1907 NA PeJP NA NA +MJ039048 Methylergometrine C20H25N3O2 339.194677 NA MeJP NA NA +MJ039049 Propisergide C20H25N3O2 339.194677 NA MeJP NA NA +MJ039050 Makalika ester C19H30ClNO2 339.196506 NA MeJP NA NA +MJ039051 Lysylhistidylglycine; L-L-form, Amide C14H25N7O3 339.201887 NA MeJP NA NA +MJ039052 8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 6-O-(3-Methylbutanoyl), 3-O-tigloyl C18H29NO5 339.204573 NA MeJP NA NA +MJ039053 2-(Benzylidenehydrazino)-4-tert-butyl-6-(1-piperazinyl)-1,3,5-triazine C18H25N7 339.217143 NA MeJP NA NA +C07406 Propoxyphene C22H29NO2 339.2198 NA KEGG NA NA +C10156 Lobelanidine C22H29NO2 339.2198 NA KEGG NA NA +C16661 L-alpha-Acetyl-N-normethadol C22H29NO2 339.2198 NA KEGG NA NA +MJ039054 ?-(4-Hydroxyphenyl)-?-methyl-4-(phenylmethyl)-1-piperidinepropanol C22H29NO2 339.219829 NA MeJP NA NA +MJ039055 Didymeline C22H29NO2 339.219829 NA MeJP NA NA +MJ039056 Dysidea benzoxazole C22H29NO2 339.219829 NA MeJP NA NA +MJ039057 Holadienine; 14,15-Didehydro, 18?-hydroxy C22H29NO2 339.219829 NA MeJP NA NA +MJ039058 Holadienine; 18-Oxo C22H29NO2 339.219829 NA MeJP NA NA +MJ039059 Lobelanidine C22H29NO2 339.219829 NA MeJP NA NA +MJ039060 Noracymethadol C22H29NO2 339.219829 NA MeJP NA NA +MJ039061 Propoxyphene C22H29NO2 339.219829 NA MeJP NA NA +MJ039062 Spiradine D C22H29NO2 339.219829 NA MeJP NA NA +MJ039063 Disopyramide C21H29N3O 339.231062 NA MeJP NA NA +MJ039064 N-Methyl-3-(1-methylethoxy)-N-[1-(phenylmethyl)-4-piperidinyl]-2-pyridinamine C21H29N3O 339.231062 NA MeJP NA NA +C06965 Disopyramide C21H29N3O 339.2311 NA KEGG NA NA +C06966 Transferred to D00304 C21H29N3O 339.2311 NA KEGG NA NA +MJ039065 2-(3-Hydroxy-1-octenyl)-5-oxo-1-pyrrolidineheptanoic acid C19H33NO4 339.240958 NA MeJP NA NA +MJ039066 2-(Aminomethyl)-2-propenoic acid; N-(2-Oxotetradecanoyl), Me ester C19H33NO4 339.240958 NA MeJP NA NA +MJ039067 Pumiliotoxin A, 7?, 7'S-Dihydroxy C19H33NO4 339.240958 NA MeJP NA NA +MJ039068 Pumiliotoxin A, 7?, 7'S-Dihydroxy C19H33NO4 339.240958 NA MeJP NA NA +MJ039069 Tumonoic acid A C19H33NO4 339.240958 NA MeJP NA NA +C16956 Evocarpine C23H33NO 339.2562 NA KEGG NA NA +MJ039070 2-Tridecyl-4(1H)-quinolinone; 7',8'-Didehydro, N-Me (Z-) C23H33NO 339.256214 NA MeJP NA NA +MJ039071 2-Tridecyl-4(1H)-quinolinone; 8',9'-Didehydro, N-Me C23H33NO 339.256214 NA MeJP NA NA +MJ039072 Polyveoline C23H33NO 339.256214 NA MeJP NA NA +HMDB13631 Oleoyl glycine C20H37NO3 339.277344 NA HMDB2010 NA NA +MJ039073 2-(Aminomethyl)-2-propenoic acid; N-Hexadecanoyl C20H37NO3 339.277344 NA MeJP NA NA +MJ039074 2-(Aminomethyl)-2-propenoic acid; N-Pentadecanoyl, Me ester C20H37NO3 339.277344 NA MeJP NA NA +MJ039075 3-Aminodihydro-2(3H)-furanone, N-Hexadecanoyl C20H37NO3 339.277344 NA MeJP NA NA +MJ039076 Rociverine C20H37NO3 339.277344 NA MeJP NA NA +HMDB00583 Docosanamide C22H45NO 339.350128 NA HMDB2010 NA NA +HMDB00583 Docosanamide C22H45NO 339.35013 http://www.hmdb.ca/metabolites/HMDB00583 HMDB NA NA +HMDB00583 Docosanamide C22H45NO 339.35013 HMDB00583 PFEM_hmdb_metabocards_official NA NA +MJ039077 Hexetidine C21H45N3 339.361348 NA MeJP NA NA +8086 peptide derived from tuna cooking juice PKAVHE 339.6755 MH2+ Inhouse_peptide NA peptide +3054 NA RKDVY 339.67645 MH2+ Inhouse_peptide NA peptide +MJ039078 1,1-Dibromo-3-iodo-2-propanone C3H3Br2IO 339.759533 NA MeJP NA NA +C11044 2,2',4,4',5-Pentachlorodiphenyl ether C12H5Cl5O 339.8783 NA KEGG NA NA +C14372 2-Hydroxy-2',3',4',5,5'-pentachlorobiphenyl C12H5Cl5O 339.8783 NA KEGG NA NA +C14373 4-Hydroxy-2,2',3',4',5'-pentachlorobiphenyl C12H5Cl5O 339.8783 NA KEGG NA NA +C14374 4-Hydroxy-2,2',3',4',6'-pentachlorobiphenyl C12H5Cl5O 339.8783 NA KEGG NA NA +C14375 4-Hydroxy-2,2',3',5',6'-pentachlorobiphenyl C12H5Cl5O 339.8783 NA KEGG NA NA +C14377 4-Hydroxy-2',3,3',4',5'-pentachlorobiphenyl C12H5Cl5O 339.8783 NA KEGG NA NA +C14378 4-Hydroxy-2',3,3',4',6'-pentachlorobiphenyl C12H5Cl5O 339.8783 NA KEGG NA NA +C14379 4-Hydroxy-2',3,3',5',6'-pentachlorobiphenyl C12H5Cl5O 339.8783 NA KEGG NA NA +C14381 4-Hydroxy-2,3,3',4',5-pentachlorobiphenyl C12H5Cl5O 339.8783 NA KEGG NA NA +C14471 4-Hydroxy-2,2',4',5,5'-pentachlorobiphenyl C12H5Cl5O 339.8783 NA KEGG NA NA +C14729 2',3,3',4',5-Pentachloro-4-biphenylol C12H5Cl5O 339.8783 NA KEGG NA NA +C14756 2,2',3,6,6'-Pentachloro-4-biphenylol C12H5Cl5O 339.8783 NA KEGG NA NA +MJ039079 2,4-Dichloro-1,5,8-trihydroxy-6-methylxanthone; 5-Me ether C15H10Cl2O5 339.990528 NA MeJP NA NA +MJ039080 2,4-Dichloro-3,6,8-trihydroxy-1-methylxanthone; 6-Me ether C15H10Cl2O5 339.990528 NA MeJP NA NA +MJ039081 2,5-Dichloro-1,3,6-trihydroxy-8-methylxanthone; 6-Me ether C15H10Cl2O5 339.990528 NA MeJP NA NA +MJ039082 4,5-Dichloro-1,3,6-trihydroxy-8-methylxanthone; 6-Me ether C15H10Cl2O5 339.990528 NA MeJP NA NA +C00354 D-Fructose 1,6-bisphosphate C6H14O12P2 339.996 NA KEGG NA NA +C00660 D-Glucose 1,6-bisphosphate C6H14O12P2 339.996 NA KEGG NA NA +C00665 beta-D-Fructose 2,6-bisphosphate C6H14O12P2 339.996 NA KEGG NA NA +C01220 1D-myo-Inositol 1,4-bisphosphate C6H14O12P2 339.996 NA KEGG NA NA +C01231 alpha-D-Glucose 1,6-bisphosphate C6H14O12P2 339.996 NA KEGG NA NA +C03693 D-Mannose 1,6-bisphosphate C6H14O12P2 339.996 NA KEGG NA NA +C03701 Glycosyl-N-acylsphingosine C25H46NO8R 339.996 NA KEGG NA NA +C03702 Histone N6-methyl-L-lysine C8H15N3O2R2 339.996 NA KEGG NA NA +C03785 D-Tagatose 1,6-bisphosphate C6H14O12P2 339.996 NA KEGG NA NA +C03786 Deoxynucleoside diphosphate C5H11O9P2R 339.996 NA KEGG NA NA +C03788 Microsomal-membrane protein C4H6N2O3R2 339.996 NA KEGG NA NA +C04062 D-myo-Inositol 1,3-bisphosphate C6H14O12P2 339.996 NA KEGG NA NA +C04063 D-myo-Inositol 3,4-bisphosphate C6H14O12P2 339.996 NA KEGG NA NA +C04064 D-myo-Inositol 4,5-bisphosphate C6H14O12P2 339.996 NA KEGG NA NA +C05378 beta-D-Fructose 1,6-bisphosphate C6H14O12P2 339.996 NA KEGG NA NA +MJ039083 1D-myo-Inositol 1,4-bisphosphate C6H14O12P2 339.996048 NA MeJP NA NA +MJ039084 D-Fructose 1,6-bisphosphate C6H14O12P2 339.996048 NA MeJP NA NA +MJ039085 D-Fructose 2,6-bisphosphate C6H14O12P2 339.996048 NA MeJP NA NA +MJ039086 D-Tagatose 1,6-bisphosphate C6H14O12P2 339.996048 NA MeJP NA NA +MJ039087 D-myo-Inositol 1,3-bisphosphate C6H14O12P2 339.996048 NA MeJP NA NA +MJ039088 D-myo-Inositol 3,4-bisphosphate C6H14O12P2 339.996048 NA MeJP NA NA +MJ039089 D-myo-Inositol 4,5-bisphosphate C6H14O12P2 339.996048 NA MeJP NA NA +MJ039090 alpha-D-Glucose 1,6-bisphosphate C6H14O12P2 339.996048 NA MeJP NA NA +MJ039091 beta-D-Fructose 1,6-bisphosphate C6H14O12P2 339.996048 NA MeJP NA NA +MJ039092 Fructose 1,6-bis(dihydrogen phosphate) C6H14O12P2 339.996048 NA MeJP NA NA +MJ039093 Glucose 1,6-diphosphate; ?-D-Pyranose-form C6H14O12P2 339.996048 NA MeJP NA NA +MetaCyc02998 β-D-fructose 2,6-bisphosphate [] C6H14O12P2 339.996049 NA metacyc NA NA +MetaCyc02999 β-glucose-1,6-diphosphate [] C6H14O12P2 339.996049 NA metacyc NA NA +MetaCyc03000 α-glucose-1,6-bisphosphate [α-D-glucose-1,6-P2;glucose-1,6-diphosphate;D-Glucose 1,6-bisphosphate;D-glucose 1,6-biphosphate;α-D-glucopyranose, 1,6-bis(dihydrogen phosphate);glucose-1,6-bisphosphate;] C6H14O12P2 339.996049 10139-18-1 metacyc NA NA +MetaCyc03001 tagatose-1,6-bisphosphate [tagatose-1,6-diphosphate;D-Tagatose 1,6-bisphosphate;] C6H14O12P2 339.996049 NA metacyc NA NA +MetaCyc03002 fructose-1,6-bisphosphate [fructose-1,6-biphosphate;fructose-1,6-diphosphate;α-D-fructose-1,6-diphosphate;D-fructose-1,6-diphosphate;D-fructose-1,6-bisphosphate;] C6H14O12P2 339.996049 488-69-7 metacyc NA NA +HMDB03514 alpha-D-Glucose 1,6-bisphosphate C6H14O12P2 339.99606 http://www.hmdb.ca/metabolites/HMDB03514 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00968 1D-Myo-inositol 1,4-bisphosphate C6H14O12P2 339.99606 http://www.hmdb.ca/metabolites/HMDB00968 HMDB NA NA +HMDB01047 D-Fructose 2,6-bisphosphate C6H14O12P2 339.99606 http://www.hmdb.ca/metabolites/HMDB01047 HMDB NA NA +HMDB03514 alpha-D-Glucose 1,6-bisphosphate C6H14O12P2 339.99606 http://www.hmdb.ca/metabolites/HMDB03514 HMDB NA NA +HMDB06234 1D-myo-Inositol 1,3-bisphosphate C6H14O12P2 339.99606 http://www.hmdb.ca/metabolites/HMDB06234 HMDB NA NA +HMDB06235 1D-myo-Inositol 3,4-bisphosphate C6H14O12P2 339.99606 http://www.hmdb.ca/metabolites/HMDB06235 HMDB NA NA +HMDB06872 D-Tagatose 1,6-bisphosphate C6H14O12P2 339.99606 http://www.hmdb.ca/metabolites/HMDB06872 HMDB NA NA +HMDB03514 alpha-D-Glucose 1,6-bisphosphate C6H14O12P2 339.99606 http://www.hmdb.ca/metabolites/HMDB03514 PFEM_hmdb_metabocards_blood NA blood +HMDB00968 1D-Myo-inositol 1,4-bisphosphate C6H14O12P2 339.99606 HMDB00968 PFEM_hmdb_metabocards_official NA NA +HMDB01047 D-Fructose 2,6-bisphosphate C6H14O12P2 339.99606 HMDB01047 PFEM_hmdb_metabocards_official NA NA +HMDB03514 alpha-D-Glucose 1,6-bisphosphate C6H14O12P2 339.99606 HMDB03514 PFEM_hmdb_metabocards_official NA NA +HMDB06234 1D-myo-Inositol 1,3-bisphosphate C6H14O12P2 339.99606 HMDB06234 PFEM_hmdb_metabocards_official NA NA +HMDB06235 1D-myo-Inositol 3,4-bisphosphate C6H14O12P2 339.99606 HMDB06235 PFEM_hmdb_metabocards_official NA NA +HMDB06872 D-Tagatose 1,6-bisphosphate C6H14O12P2 339.99606 HMDB06872 PFEM_hmdb_metabocards_official NA NA +HMDB00968 1D-Myo-inositol 1,4-bisphosphate C6H14O12P2 339.996063 NA HMDB2010 NA NA +HMDB01047 D-Fructose 2,6-bisphosphate C6H14O12P2 339.996063 NA HMDB2010 NA NA +HMDB03514 Alpha-D-Glucose 1,6-bisphosphate C6H14O12P2 339.996063 NA HMDB2010 NA NA +HMDB06234 1D-Myo-inositol 1,3-bisphosphate C6H14O12P2 339.996063 NA HMDB2010 NA NA +HMDB06235 1D-Myo-inositol 3,4-bisphosphate C6H14O12P2 339.996063 NA HMDB2010 NA NA +HMDB06872 D-Tagatose 1,6-bisphosphate C6H14O12P2 339.996063 NA HMDB2010 NA NA +MetaCyc03003 p-hydroxymercuribenzoate [p-hydroxymercuribenzoic acid;(p-carboxyphenyl)hydroxymercury;(4-carboxylatophenyl)hydroxymercurate(1-) hydrogen;mercury, (p-carboxyphenyl)hydroxy-;mercurate(1-), (4-carboxylateophenyl)hydroxy-, hydrogen (9Cl);] C7H6O3HG1 340.00232 NA metacyc NA NA +C03779 Bis-4-nitrophenyl phosphate C12H9N2O8P 340.0097 NA KEGG NA NA +C03780 Blood coagulation Factor Va C12H9N2O8P 340.0097 NA KEGG NA NA +C03781 Complement subcomponent C1s C12H9N2O8P 340.0097 NA KEGG NA NA +MJ039094 Agelastatin A C12H13BrN4O3 340.017102 NA MeJP NA NA +C11021 Diclofop methyl C16H14Cl2O4 340.0269 NA KEGG NA NA +MJ039095 Defosfamide C9H20Cl3N2O3P 340.027712 NA MeJP NA NA +MJ039096 3-Bromo-4-oxo-4-[4-(pentyloxy)phenyl]-2-butenoic acid C15H17BrO4 340.031021 NA MeJP NA NA +MetaCyc03004 (6S)-6-fluoro-EPSP [(6S)-6-fluoro-5-enolpyruvylshikimate-3-phosphate;] C11H14O9F1P1 340.035947 NA metacyc NA NA +MetaCyc03005 (6R)-6-fluoro-EPSP [(6R)-6-fluoro-5-enolpyruvylshikimate 3-phosphate;] C11H14O9F1P1 340.035947 NA metacyc NA NA +FL3FECNS0018 7-Methoxy-5,6:3',4'-bis(methylenedioxy)flavone C18H12O7 340.0583 97640-84-1 knapsack NA NA +FL5FPTNS0007 Pulcherrimin;7-Hydroxy-9-methoxy-1,3-dioxolo[7,8][2]benzopyrano[4,3-b][1]benzopyran-6(4H)-one C18H12O7 340.0583 89945-86-8 knapsack NA NA +MJ039097 3',4',5,6,7-Pentahydroxyflavone; 3',4':5,6-Bismethylene, 7-Me ether C18H12O7 340.058302 NA MeJP NA NA +MJ039098 3,11-Dihydro-5-hydroxy-11,11-dimethyl-1,3-dioxo-1H-furo[3,4-d]naphtho[1,2-b]pyran-4-carboxylic acid C18H12O7 340.058302 NA MeJP NA NA +MJ039099 3-Acetyl-4,5-dihydroxyanthraquinone-2-acetic acid C18H12O7 340.058302 NA MeJP NA NA +MJ039100 Atromentic acid C18H12O7 340.058302 NA MeJP NA NA +MJ039101 Austocystin I C18H12O7 340.058302 NA MeJP NA NA +MJ039102 Dothistromin; 2,3a-Dideoxy C18H12O7 340.058302 NA MeJP NA NA +MJ039103 Dothistromin; 2,9-Dideoxy C18H12O7 340.058302 NA MeJP NA NA +MJ039104 Grevilline A; 3''-Hydroxy C18H12O7 340.058302 NA MeJP NA NA +MJ039105 Noraustrocorticin C18H12O7 340.058302 NA MeJP NA NA +MJ039106 Premnalatin C18H12O7 340.058302 NA MeJP NA NA +MJ039107 Pulcherrimin C18H12O7 340.058302 NA MeJP NA NA +MJ039108 Salvianolic acid G C18H12O7 340.058302 NA MeJP NA NA +MJ039109 Versicolorin A, 2,3-Dihydro C18H12O7 340.058302 NA MeJP NA NA +C17400 Asparenomycin A C14H16N2O6S 340.0729 NA KEGG NA NA +MJ039110 Asparenomycin C; S-Oxide C14H16N2O6S 340.072906 NA MeJP NA NA +MJ039111 2-Butyl-4-chloro-1-[(2-chlorophenyl)methyl]-1H-imidazole-5-acetic acid C16H18Cl2N2O2 340.074533 NA MeJP NA NA +MJ039112 Valconazole C16H18Cl2N2O2 340.074533 NA MeJP NA NA +C01421 Daphnin C15H16O9 340.0794 NA KEGG NA NA +C02887 Sinapoyl malate C15H16O9 340.0794 NA KEGG NA NA +C09206 Cichoriin C15H16O9 340.0794 NA KEGG NA NA +C09264 Esculin C15H16O9 340.0794 NA KEGG NA NA +MJ039113 2-Hydroxy-2-(hydroxymethyl)butanedioic acid, 1'-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) C15H16O9 340.079432 NA MeJP NA NA +MJ039114 3,5,7-Trihydroxy-4H-1-benzopyran-4-one; 3-O-?-L-Rhamnopyranoside C15H16O9 340.079432 NA MeJP NA NA +MJ039115 5,7-Dihydroxy-4H-1-benzopyran-4-one; 7-O-?-Glucopyranoside C15H16O9 340.079432 NA MeJP NA NA +MJ039116 6,7-Dihydroxy-2H-1-benzopyran-2-one; 6-O-?-D-Glucopyranoside C15H16O9 340.079432 NA MeJP NA NA +MJ039117 6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-?-D-Glucopyranoside C15H16O9 340.079432 NA MeJP NA NA +MJ039118 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-?-D-Glucopyranoside C15H16O9 340.079432 NA MeJP NA NA +MJ039119 7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-?-D-Glucopyranoside C15H16O9 340.079432 NA MeJP NA NA +MJ039120 Dauroside D C15H16O9 340.079432 NA MeJP NA NA +MJ039121 Leucodrin; 3'-Hydroxy C15H16O9 340.079432 NA MeJP NA NA +MetaCyc03006 sinapoyl-(S)-malate [] C15H16O9 340.079432 NA metacyc NA NA +MetaCyc03007 daphnin [] C15H16O9 340.079432 486-55-5 metacyc NA NA +MJ039122 Tenilapine C17H16N4S2 340.081637 NA MeJP NA NA +MJ039123 Vulgaxanthin II C14H16N2O8 340.090665 NA MeJP NA NA +C08569 Vulgaxanthin-II C14H16N2O8 340.0907 NA KEGG NA NA +MJ039124 3,4-Dihydro-7-methoxy-2-[(methylthio)methyl]-3-thioxo-1(2H)-quinoxalinecarboxylic acid, Isopropyl ester C15H20N2O3S2 340.091533 NA MeJP NA NA +MJ039125 3,4-Dihydro-8-methoxy-2-[(methylthio)methyl]-3-thioxo-1(2H)-quinoxalinecarboxylic acid, Isopropyl ester C15H20N2O3S2 340.091533 NA MeJP NA NA +MJ039126 3-[(4-Hydroxyphenyl)methyl]-1,4-dimethyl-3,6-bis(methylthio)-2,5-piperazinedione C15H20N2O3S2 340.091533 NA MeJP NA NA +MJ039127 Rhizopterin C15H12N6O4 340.092002 NA MeJP NA NA +FLICUNNS0001 Ambanol C19H16O6 340.09468 63838-66-4 knapsack NA NA +MJ039128 1,8-Dihydroxy-3,6-dimethoxy-2-methyl-7-vinylanthraquinone C19H16O6 340.094688 NA MeJP NA NA +MJ039129 2-(3,4-Dihydroxyphenyl)-7-hydroxy-5-benzofuranpropanoic acid; 3',4'-Methylene, 7-Me ether C19H16O6 340.094688 NA MeJP NA NA +MJ039130 4',6,7-Trihydroxyisoflavone; 4',6-Di-Me ether, 7-Ac C19H16O6 340.094688 NA MeJP NA NA +MJ039131 4',7,8-Trihydroxyisoflavone; 4',8-Di-Me ether, 7-Ac C19H16O6 340.094688 NA MeJP NA NA +MJ039132 4,4'-Oxybis[3-phenyl-2-propenoic acid], 3-Methoxy C19H16O6 340.094688 NA MeJP NA NA +MJ039133 6,9,10-Trihydroxy-3,3-dimethyl-3H,7H-pyrano[2,3-c]xanthen-7-one; 6-Me ether C19H16O6 340.094688 NA MeJP NA NA +MJ039134 6-Aldehydoisoophiopogone B C19H16O6 340.094688 NA MeJP NA NA +MJ039135 8-Methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid; 6-Methoxy, Me ester C19H16O6 340.094688 NA MeJP NA NA +MJ039136 8-Methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid; 7-Methoxy, Me ester C19H16O6 340.094688 NA MeJP NA NA +MJ039137 8-[2-(2-Furanyl)-2-oxoethyl]-7-hydroxy-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one C19H16O6 340.094688 NA MeJP NA NA +MJ039138 Ambanol C19H16O6 340.094688 NA MeJP NA NA +MJ039139 Antibiotic 792 C19H16O6 340.094688 NA MeJP NA NA +MJ039140 Atrovenetinone C19H16O6 340.094688 NA MeJP NA NA +MJ039141 Egonol; 1''-Oxo C19H16O6 340.094688 NA MeJP NA NA +MJ039142 Excavatin D, 2'-Oxo, ?3',10'-isomer C19H16O6 340.094688 NA MeJP NA NA +MJ039143 Forbexanthone C19H16O6 340.094688 NA MeJP NA NA +MJ039144 Isojacareubin; 5-Me ether C19H16O6 340.094688 NA MeJP NA NA +MJ039145 Jacareubin; 5-Me ether C19H16O6 340.094688 NA MeJP NA NA +MJ039146 Methylophiopogonone A C19H16O6 340.094688 NA MeJP NA NA +MJ039147 Ochracenomicin A C19H16O6 340.094688 NA MeJP NA NA +MJ039148 Psorospermin C19H16O6 340.094688 NA MeJP NA NA +MJ039149 Sterigmatocystin; 1,2-Dihydro, Me ether C19H16O6 340.094688 NA MeJP NA NA +MJ039150 Toxyloxanthone B; 5-Me ether C19H16O6 340.094688 NA MeJP NA NA +MJ039151 Virgatyne C19H16O6 340.094688 NA MeJP NA NA +MetaCyc03008 dihydro-O-methylsterigmatocystin [] C19H16O6 340.094688 NA metacyc NA NA +C10090 Psorospermin C19H16O6 340.0947 NA KEGG NA NA +C17473 Methylophiopogonone A C19H16O6 340.0947 NA KEGG NA NA +C14877 S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine C12H16N6O4S 340.0954 NA KEGG NA NA +HMDB01030 3'-Ketolactose C12H20O11 340.100555 NA HMDB2010 NA NA +HMDB01030 3'-Ketolactose C12H20O11 340.10056 http://www.hmdb.ca/metabolites/HMDB01030 HMDB NA NA +HMDB01030 3'-Ketolactose C12H20O11 340.10056 HMDB01030 PFEM_hmdb_metabocards_official NA NA +MJ039152 2-O-?-D-Galactopyranuronosyl-L-rhamnose C12H20O11 340.100561 NA MeJP NA NA +MJ039153 2-O-?-D-Glucopyranuronosyl-D-lyxose; 4'-O-Me C12H20O11 340.100561 NA MeJP NA NA +MJ039154 2-O-?-D-Glucopyranuronosyl-L-rhamnose C12H20O11 340.100561 NA MeJP NA NA +MJ039155 3-O-?-D-Glucopyranuronosyl-L-rhamnose C12H20O11 340.100561 NA MeJP NA NA +MJ039156 3-O-?-D-Glucopyranuronosyl-D-xylose; Pyranose-form, 4'-Me C12H20O11 340.100561 NA MeJP NA NA +MJ039157 3-O-?-D-Glucopyranuronosyl-L-arabinose; O4'-Me C12H20O11 340.100561 NA MeJP NA NA +MJ039158 3-O-?-D-Glucopyranuronosyl-L-rhamnose C12H20O11 340.100561 NA MeJP NA NA +MJ039159 4-O-?-D-Glucopyranuronosyl-L-fucose C12H20O11 340.100561 NA MeJP NA NA +MJ039160 4-O-?-D-Glucopyranuronosyl-L-rhamnose C12H20O11 340.100561 NA MeJP NA NA +MJ039161 4-O-?-D-Glucopyranuronosyl-L-arabinose; 4'-Me C12H20O11 340.100561 NA MeJP NA NA +MJ039162 3-Ketolactose C12H20O11 340.100561 NA MeJP NA NA +MetaCyc03009 3'-dehydro-α-D-glucosyl-β-D-fructofuranoside [α-D-ribo-hexopyranosyl-3-ulose-β-D-fructofuranoside;3'-ketosucrose;] C12H20O11 340.100561 NA metacyc NA NA +MetaCyc03010 cellobiono-1,5-lactone [Cellobiose-1,5-lactone;] C12H20O11 340.100561 NA metacyc NA NA +MetaCyc03011 3'-ketolactose [3'-dehydro-β-D-galactosyl-β-D-glucopyranoside;] C12H20O11 340.100561 NA metacyc NA NA +C01093 Cellobiono-1,5-lactone C12H20O11 340.1006 NA KEGG NA NA +C05403 3-Ketolactose C12H20O11 340.1006 NA KEGG NA NA +C05731 3-Ketosucrose C12H20O11 340.1006 NA KEGG NA NA +C05734 Glycogen amylose chain(n) C12H20O11 340.1006 NA KEGG NA NA +C05735 Glycogen amylopectin chain(n) C12H20O11 340.1006 NA KEGG NA NA +C05737 Maltose 6-phosphate C12H20O11 340.1006 NA KEGG NA NA +C05742 Glycogen amylose chain(n)-1,6-amylose chain(4) C12H20O11 340.1006 NA KEGG NA NA +C05743 Glycogen amylose chain-1,6-alpha-D-glucose C12H20O11 340.1006 NA KEGG NA NA +C05744 Acetoacetyl-[acp] C4H5O2SR 340.1006 NA KEGG NA NA +C05745 Butyryl-[acp] C4H7OSR 340.1006 NA KEGG NA NA +C05746 3-Oxohexanoyl-[acp] C6H9O2SR 340.1006 NA KEGG NA NA +C05747 (R)-3-Hydroxyhexanoyl-[acp] C6H11O2SR 340.1006 NA KEGG NA NA +C05748 trans-Hex-2-enoyl-[acp] C6H9OSR 340.1006 NA KEGG NA NA +C05749 Hexanoyl-[acp] C6H11OSR 340.1006 NA KEGG NA NA +C05750 3-Oxooctanoyl-[acp] C8H13O2SR 340.1006 NA KEGG NA NA +C05751 trans-Oct-2-enoyl-[acp] C8H13OSR 340.1006 NA KEGG NA NA +C05752 Octanoyl-[acp] C8H15OSR 340.1006 NA KEGG NA NA +C05753 3-Oxodecanoyl-[acp] C10H17O2SR 340.1006 NA KEGG NA NA +C05754 trans-Dec-2-enoyl-[acp] C10H17OSR 340.1006 NA KEGG NA NA +C05755 Decanoyl-[acp] C10H19OSR 340.1006 NA KEGG NA NA +C05756 3-Oxododecanoyl-[acp] C12H21O2SR 340.1006 NA KEGG NA NA +C05757 (R)-3-Hydroxydodecanoyl-[acp] C12H23O2SR 340.1006 NA KEGG NA NA +C05758 trans-Dodec-2-enoyl-[acp] C12H21OSR 340.1006 NA KEGG NA NA +C05759 3-Oxotetradecanoyl-[acp] C14H25O2SR 340.1006 NA KEGG NA NA +C05760 trans-Tetradec-2-enoyl-[acp] C14H25OSR 340.1006 NA KEGG NA NA +C05761 Tetradecanoyl-[acp] C14H27OSR 340.1006 NA KEGG NA NA +C05762 3-Oxohexadecanoyl-[acp] C16H29O2SR 340.1006 NA KEGG NA NA +C05763 trans-Hexadec-2-enoyl-[acp] C16H29OSR 340.1006 NA KEGG NA NA +C05764 Hexadecanoyl-[acp] C16H31OSR 340.1006 NA KEGG NA NA +MetaCyc03012 1-naphthalenesulfonamide, n-(6-aminohexyl)-5- chloro- [N-(6-aminohexyl)-1-chloro-naphthalene-5-sulfonamide;N-(6-Aminohexyl)-5-chloro-1-naphthalenesulphonamide;] C16H21N2O2S1CL1 340.101226 NA metacyc NA NA +MJ039163 Picrasidine E C18H16N2O5 340.105921 NA MeJP NA NA +MJ039164 3,11,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide, 13-Deoxy, 13-chloro, 3-Ac C17H21ClO5 340.107751 NA MeJP NA NA +MJ039165 Diphenadione C23H16O3 340.109944 NA MeJP NA NA +MJ039166 3-(2-Hydroxyphenyl)-2-propenoic acid, O-?-D-Glucopyranoside, Me ester C16H20O8 340.115817 NA MeJP NA NA +MJ039167 3-(4-Hydroxyphenyl)-2-propenoic acid, O-(2-O-Methyl-?-D-glucopyranoside) C16H20O8 340.115817 NA MeJP NA NA +MJ039168 3-(4-Hydroxyphenyl)-2-propenoic acid, O-?-D-Glucopyranoside, Me ester C16H20O8 340.115817 NA MeJP NA NA +MJ039169 5-(2-Propenyl)-1,2,3-benzenetriol; 1,2-Methylene ether, 3-O-?-D-glucopyranoside C16H20O8 340.115817 NA MeJP NA NA +MJ039170 Allamancin; O3-Me C16H20O8 340.115817 NA MeJP NA NA +MJ039171 Coniferaldehyde, 4'-O-?-D-Glucopyranoside C16H20O8 340.115817 NA MeJP NA NA +MJ039172 Macrosphelide A; 15-Ketone C16H20O8 340.115817 NA MeJP NA NA +MetaCyc03013 coniferaldehyde glucoside [coniferyl aldehyde-4-O-β-D-glucopyranoside;] C16H20O8 340.115818 NA metacyc NA NA +FL1C1ANF0002 Bakuchalcone C20H20O5 340.13107 84575-13-3 knapsack NA NA +FL1C1ANI0014 Broussochalcone A C20H20O5 340.13107 99217-68-2 knapsack NA NA +FL1C1ANI0025 3'-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone C20H20O5 340.13107 336128-90-6 knapsack NA NA +FL1C1ANP0003 Bavachromanol C20H20O5 340.13107 74061-77-1 knapsack NA NA +FL1C1ANP0015 5-Prenyl-6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone;3',4'-(3-Hydroxy-2,2-dimethyldihydropyrano)-4,2'-dihydroxychalcone C20H20O5 340.13107 441772-65-2 knapsack NA NA +FL1C1LNI0001 Morachalcone A C20H20O5 340.13107 76472-88-3 knapsack NA NA +FL1CA9NP0001 Helikrausichalcone C20H20O5 340.13107 122585-71-1 knapsack NA NA +FL1CAANI0001 4,2',6'-Trihydroxy-4'-prenyloxychalcone C20H20O5 340.13107 94393-11-0 knapsack NA NA +FL1CHYNI0002 5'-Prenyllicodione C20H20O5 340.13107 107390-47-6 knapsack NA NA +FL1CHYNI0003 Kanzonol A C20H20O5 340.13107 155233-18-4 knapsack NA NA +FL1D1CNP0002 Crotin (chalcone);3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']dihydrochalcone C20H20O5 340.13107 255831-48-2 knapsack NA NA +FL2F1ANF0001 Brosimacutin E C20H20O5 340.13107 350221-49-7 knapsack NA NA +FL2F1ANP0006 Brosimacutin D C20H20O5 340.13107 350221-48-6 knapsack NA NA +FL2F1LNI0002 Euchrenone a7 C20H20O5 340.13107 130252-50-5 knapsack NA NA +FL2FA8NI0006 Kushenol S;5,7,2'-Trihydroxy-8-prenylflavanone C20H20O5 340.13107 254886-72-1 knapsack NA NA +FL2FA9NI0002 5-Hydroxy-7-(3-methyl-2,3-epoxybutoxy)flavanone C20H20O5 340.13107 94390-14-4 knapsack NA NA +FL2FA9NI0005 5,7-Dihydroxy-8-C-(4-hydroxy-3-methyl-2-butenyl)flavanone C20H20O5 340.13107 74161-06-1 knapsack NA NA +FL2FAANF0005 5,4,-Dihydroxy-4'',4''-Dimethyl-5''-[2'',3'':7,6]methyldihydrofuranoflavanone C20H20O5 340.13107 192572-99-9 knapsack NA NA +FL2FAANI0003 6-Prenylnaringenin C20H20O5 340.13107 68236-13-5 knapsack NA NA +FL2FAANI0004 Selinone C20H20O5 340.13107 14117-54-5 knapsack NA NA +FL2FAANI0005 Sophoraflavanone B C20H20O5 340.13107 72357-32-5 knapsack NA NA +FL2FAANI0006 5,4'-Dihydroxy-7-O-prenylflavanone C20H20O5 340.13107 68236-14-6 knapsack NA NA +FL2FAANI0014 Licoflavanone C20H20O5 340.13107 119240-82-3 knapsack NA NA +FL2FAANI0022 (2S)-5,7,4'-Trihydroxy-6-(1,1-dimethylallyl)flavanone C20H20O5 340.13107 192572-93-3 knapsack NA NA +FL2FAANI0023 Ugonin E;5,7,4'-Trihydroxy-8-(1,1-dimethylallyl)flavanone C20H20O5 340.13107 651304-84-6 knapsack NA NA +FL4DA9NI0001 Glepidotin B C20H20O5 340.13107 87440-56-0 knapsack NA NA +FL4DA9NI0002 (2R,3S)-3,5,7-Trihydroxy-6-prenylflavanone C20H20O5 340.13107 89648-66-8 knapsack NA NA +FLIB1LNI0001 (+-)-5-Deoxykievitone C20H20O5 340.13107 74161-24-3 knapsack NA NA +FLIBAANI0001 (+)-Dihydrowighteone;(+)-5,7,4'-Trihydroxy-6-prenylisoflavanone C20H20O5 340.13107 108026-27-3 knapsack NA NA +FLID1ANI0004 Dolichin A C20H20O5 340.13107 78919-15-0 knapsack NA NA +FLID1ANI0005 Dolichin B C20H20O5 340.13107 78859-49-1 knapsack NA NA +FLIDHXNI0002 Sandwicarpin;6a-Hydroxyphaseollidin C20H20O5 340.13107 74515-45-0 knapsack NA NA +FLIDHXNI0003 Glyceocarpin;Glyceollidin II;3,6a,9-Trihydroxy-2-prenylpterocarpan C20H20O5 340.13107 77979-22-7 knapsack NA NA +FLIDHXNI0004 Glyceollidin I;3,6a,9-Trihydroxy-4-prenylpterocarpan C20H20O5 340.13107 77979-21-6 knapsack NA NA +FLII1LNI0001 Licocoumarone C20H20O5 340.13107 118524-14-4 knapsack NA NA +MJ039173 1,3,5-Trihydroxy-2-prenylxanthone; 3,5-Di-Me ether C20H20O5 340.131073 NA MeJP NA NA +MJ039174 1,3,5-Trihydroxy-4-prenylxanthone; 3,5-Di-Me ether C20H20O5 340.131073 NA MeJP NA NA +MJ039175 1,3,7-Trihydroxy-2-prenylxanthone; 3,7-Di-Me ether C20H20O5 340.131073 NA MeJP NA NA +MJ039176 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan C20H20O5 340.131073 NA MeJP NA NA +MJ039177 10-(3-Methyl-2-butenoyl)spatheliachromen C20H20O5 340.131073 NA MeJP NA NA +MJ039178 10-Isopentenylemodinanthran-10-ol C20H20O5 340.131073 NA MeJP NA NA +MJ039179 12,17:15,16-Diepoxy-7-oxo-3,8(17),13(16),14-clerodatetraen-18,19-olide C20H20O5 340.131073 NA MeJP NA NA +MJ039180 12-Hydroxy-11,14-dioxo-1(10),7,9(20),12-icetexatetraen-19,6-olide; 6?-form C20H20O5 340.131073 NA MeJP NA NA +MJ039181 15,16-Epoxy-1,3,13(16),14-clerodatetraene-17,12:18,19-diolide C20H20O5 340.131073 NA MeJP NA NA +MJ039182 15,16-Epoxy-1,3,13(16),14-clerodatetraene-17,12:18,6-diolide C20H20O5 340.131073 NA MeJP NA NA +MJ039183 15,16-Epoxy-2,13(16),14-clerodatriene-17,12:18,19-diolide, 1,10-Didehydro C20H20O5 340.131073 NA MeJP NA NA +MJ039184 15,16-Epoxy-3,8(17),13(16),14-clerodatetraene-18,19:20,12-diolide C20H20O5 340.131073 NA MeJP NA NA +MJ039185 17(15?16),18(4?3)-Bisabeo-12,16-epoxy-11-hydroxy-3,5,8,11,13-abietapentaen-7-one; 6,14-Dihydroxy, 15,16-didehydro C20H20O5 340.131073 NA MeJP NA NA +MJ039186 2',4',5,7-Tetrahydroxy-8-prenylisoflavanone; 5-Deoxy C20H20O5 340.131073 NA MeJP NA NA +MJ039187 2',4',7-Trihydroxy-3'-prenylisoflavanone C20H20O5 340.131073 NA MeJP NA NA +MJ039188 2',4',7-Trihydroxy-8-prenylflavanone C20H20O5 340.131073 NA MeJP NA NA +MJ039189 2',4,4',6'-Tetrahydroxy-3'-prenylchalcone C20H20O5 340.131073 NA MeJP NA NA +MJ039190 2',4,4',6'-Tetrahydroxychalcone; 4'-O-(3-Methyl-2-butenyl) C20H20O5 340.131073 NA MeJP NA NA +MJ039191 2',4,4'-Trihydroxy-5'-prenylchalcone; 3-Hydroxy C20H20O5 340.131073 NA MeJP NA NA +MJ039192 2',5,7-Trihydroxy-8-prenylflavanone C20H20O5 340.131073 NA MeJP NA NA +MJ039193 2,2',4,4'-Tetrahydroxy-3'-prenylchalcone C20H20O5 340.131073 NA MeJP NA NA +MJ039194 2,3,6,7-Tetrahydro-4-hydroxy-7-(4-hydroxyphenyl)-2,3,3-trimethyl-5H-furo[3,2-g][1]benzopyran-5-one C20H20O5 340.131073 NA MeJP NA NA +MJ039195 2,8-Dihydroxy-1-hydroxymethyl-3-methylxanthone; 2-O-(3-Methyl-2-butenyl) C20H20O5 340.131073 NA MeJP NA NA +MJ039196 2-(2,4-Dihydroxyphenyl)-5-benzofuranpropanol; 2'-Me ether, 3''-Ac C20H20O5 340.131073 NA MeJP NA NA +MJ039197 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3-methyl-7-(2-propenyl)-4,5-benzofurandiol, 4,5-Methylene, 3'-Me ether C20H20O5 340.131073 NA MeJP NA NA +MJ039198 2-(3,4-Dihydroxyphenyl)-4,6-dihydroxy-5-prenylbenzofuran; 4-Me ether C20H20O5 340.131073 NA MeJP NA NA +MJ039199 2-(3-Allyl-4-hydroxy-5-methoxyphenyl)-1-(3,4-methylenedioxyphenyl)-1-propanone C20H20O5 340.131073 NA MeJP NA NA +MJ039200 2-(4-Allyloxy-3-methoxyphenyl)-1-(3,4-methylenedioxyphenyl)-1-propanone C20H20O5 340.131073 NA MeJP NA NA +MJ039201 3',4',4a',9a'-Tetrahydro-6,7'-dimethylspiro[benzofuran-3(2H),2'-pyrano[2,3-b]benzofuran]-2,4a'-diol C20H20O5 340.131073 NA MeJP NA NA +MJ039202 3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 3',4'-Methylene, 5-Me ether C20H20O5 340.131073 NA MeJP NA NA +MJ039203 3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 4,5-Methylene, 3'-Me ether C20H20O5 340.131073 NA MeJP NA NA +MJ039204 3,3',4,4',7-Pentahydroxy-2,7'-cyclolignan, 3,4:3',4'-Bis(methylene)ether C20H20O5 340.131073 NA MeJP NA NA +MJ039205 3,3',4,4',7-Pentahydroxylignan, 7-Ketone, 3,4:3',4'-bis(methylene) ether C20H20O5 340.131073 NA MeJP NA NA +MJ039206 3,4,7,12-Tetrahydro-7,8,12-trihydroxy-12-(hydroxymethyl)-3-methylbenz[a]anthracen-1(2H)-one C20H20O5 340.131073 NA MeJP NA NA +MJ039207 3,4-Dihydro-3,4,5,6-tetramethoxy-2-phenyl-2H-furo[2,3-h]-1-benzopyran, 3-Demethoxy C20H20O5 340.131073 NA MeJP NA NA +MJ039208 3,4:3',4'-Bis(methylenedioxy)-7,7'-epoxylignan C20H20O5 340.131073 NA MeJP NA NA +MJ039209 3,4:3',4'-Bis(methylenedioxy)lignan, 7-Oxo C20H20O5 340.131073 NA MeJP NA NA +MJ039210 3,5,7-Trihydroxy-6-prenylflavanone C20H20O5 340.131073 NA MeJP NA NA +MJ039211 3,6a,9-Trihydroxy-10-prenylpterocarpan C20H20O5 340.131073 NA MeJP NA NA +MJ039212 3,6a,9-Trihydroxy-2-prenylpterocarpan C20H20O5 340.131073 NA MeJP NA NA +MJ039213 3,6a,9-Trihydroxy-4-prenylpterocarpan C20H20O5 340.131073 NA MeJP NA NA +MJ039214 3,8,9-Trihydroxy-6a-prenylpterocarpan C20H20O5 340.131073 NA MeJP NA NA +MJ039215 4',5,7-Trihydroxy-3'-prenylflavanone C20H20O5 340.131073 NA MeJP NA NA +MJ039216 4',5,7-Trihydroxy-6-prenylflavanone C20H20O5 340.131073 NA MeJP NA NA +MJ039217 4',5,7-Trihydroxy-6-prenylisoflavanone C20H20O5 340.131073 NA MeJP NA NA +MJ039218 4',5,7-Trihydroxy-8-prenylflavanone C20H20O5 340.131073 NA MeJP NA NA +MJ039219 4',5,7-Trihydroxyflavanone, 4'-O-(3-Methyl-2-butenyl) C20H20O5 340.131073 NA MeJP NA NA +MJ039220 4',5,7-Trihydroxyflavanone, 7-O-(3-Methyl-2-butenyl) C20H20O5 340.131073 NA MeJP NA NA +MJ039221 4-Methylunguinol C20H20O5 340.131073 NA MeJP NA NA +MJ039222 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, ?7'-Isomer, 6',10'-dioxo C20H20O5 340.131073 NA MeJP NA NA +MJ039223 5'-Prenyllicodione C20H20O5 340.131073 NA MeJP NA NA +MJ039224 5,7-Dihydroxy-8-prenylflavanone, 4''-Hydroxy C20H20O5 340.131073 NA MeJP NA NA +MJ039225 5,7-Dihydroxyflavanone, 7-O-(2,3-Epoxy-3-methylbutyl) C20H20O5 340.131073 NA MeJP NA NA +MJ039226 6,7-Dihydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one; Tri-Me ether C20H20O5 340.131073 NA MeJP NA NA +MJ039227 6-(1,1-Dimethyl-2-propenyl)-4',5,7-trihydroxyflavanone C20H20O5 340.131073 NA MeJP NA NA +MJ039228 6-Allyl-6-[2-(3,4-dihydroxyphenyl)-1-methylethyl]-3,4-dihydroxy-2,4-cyclohexadien-1-one; Bis(methylene) ether C20H20O5 340.131073 NA MeJP NA NA +MJ039229 7,12-Dihydroxy-20-nor-1,5(10),6,8,12-abietapentaene-3,11,14-trione; 12-Me ether C20H20O5 340.131073 NA MeJP NA NA +MJ039230 8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(3-Furancarbonyl) C20H20O5 340.131073 NA MeJP NA NA +MJ039231 Antibiotic FD 548 C20H20O5 340.131073 NA MeJP NA NA +MJ039232 Antibiotic SM 196A C20H20O5 340.131073 NA MeJP NA NA +MJ039233 Aphyllodenticulide C20H20O5 340.131073 NA MeJP NA NA +MJ039234 Bakuchalcone C20H20O5 340.131073 NA MeJP NA NA +MJ039235 Blepharolide B C20H20O5 340.131073 NA MeJP NA NA +MJ039236 Burchellin C20H20O5 340.131073 NA MeJP NA NA +MJ039237 Clarkinol; 4'-Ketone C20H20O5 340.131073 NA MeJP NA NA +MJ039238 Clarkinol; 7-Epimer, 4'-ketone C20H20O5 340.131073 NA MeJP NA NA +MJ039239 Cneorumchromone P C20H20O5 340.131073 NA MeJP NA NA +MJ039240 Cycloethuliacoumarin C20H20O5 340.131073 NA MeJP NA NA +MJ039241 Denudatin A C20H20O5 340.131073 NA MeJP NA NA +MJ039242 Dolichin C20H20O5 340.131073 NA MeJP NA NA +MJ039243 Erystagallin C C20H20O5 340.131073 NA MeJP NA NA +MJ039244 Eusiderin I; 5'-Demethoxy C20H20O5 340.131073 NA MeJP NA NA +MJ039245 Flemistrictin F; 4'-Hydroxy C20H20O5 340.131073 NA MeJP NA NA +MJ039246 Furoguaiacin C20H20O5 340.131073 NA MeJP NA NA +MJ039247 Futoenone C20H20O5 340.131073 NA MeJP NA NA +MJ039248 Hydroxyotobain C20H20O5 340.131073 NA MeJP NA NA +MJ039249 Isobavachromene; 3''-Hydroxy, 2',3'-dihydro C20H20O5 340.131073 NA MeJP NA NA +MJ039250 Kanzonol A C20H20O5 340.131073 NA MeJP NA NA +MJ039251 Liliflodione; 3'-O-De-Me, 3',4'-methylene ether C20H20O5 340.131073 NA MeJP NA NA +MJ039252 Machilin B C20H20O5 340.131073 NA MeJP NA NA +MJ039253 Methoxydalrubone C20H20O5 340.131073 NA MeJP NA NA +MJ039254 Naphthgeranine A C20H20O5 340.131073 NA MeJP NA NA +MJ039255 Obovaten C20H20O5 340.131073 NA MeJP NA NA +MJ039256 Plectrinone A; 16-Deoxy, 16,17-didehydro C20H20O5 340.131073 NA MeJP NA NA +MJ039257 Pongachalcone I; 3,4-Dihydro, 3?-hydroxy, 7-O-de-Me C20H20O5 340.131073 NA MeJP NA NA +MJ039258 Preethuliacoumarin-8'-carboxylic acid C20H20O5 340.131073 NA MeJP NA NA +MJ039259 Radulanin F C20H20O5 340.131073 NA MeJP NA NA +MJ039260 Radulanin G C20H20O5 340.131073 NA MeJP NA NA +MJ039261 Radulanin H; 4'-Hydroxy C20H20O5 340.131073 NA MeJP NA NA +MJ039262 Rhyacophilene C20H20O5 340.131073 NA MeJP NA NA +MJ039263 Salvifaricin C20H20O5 340.131073 NA MeJP NA NA +MJ039264 Spiroethuliacoumarin C20H20O5 340.131073 NA MeJP NA NA +MJ039265 Tetrahydrohalenaquinone A C20H20O5 340.131073 NA MeJP NA NA +MJ039266 Tetrahydrohalenaquinone B C20H20O5 340.131073 NA MeJP NA NA +MJ039267 Tetrangomycin; 7,12-Dialcohol, O8-Me C20H20O5 340.131073 NA MeJP NA NA +MJ039268 Teuvincenone E C20H20O5 340.131073 NA MeJP NA NA +MJ039269 Trijuganone C C20H20O5 340.131073 NA MeJP NA NA +MJ039270 Ugonin D C20H20O5 340.131073 NA MeJP NA NA +MJ039271 Utahin C20H20O5 340.131073 NA MeJP NA NA +MJ039272 Wortmannolone C20H20O5 340.131073 NA MeJP NA NA +MJ039273 Xestosaprol B; 13-Ketone C20H20O5 340.131073 NA MeJP NA NA +MetaCyc03014 glyceollidin II [(6αS,11αS)-2-dimethylallyl-3,6α,9-trihydroxypterocarpan;(+)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan;2-(6αS,11αS)-dimethylallyl-3,6α,9-trihydroxypterocarpan;] C20H20O5 340.131074 NA metacyc NA NA +MetaCyc03015 glyceollidin I [(6αS,11αS)-4-dimethylallyl-3,6α,9-trihydroxypterocarpan;(+)-4-dimethylallyl-3,6α,9-trihydroxypterocarpan;2-(6αS,11αS)-dimethylallyl-3,6α,9-trihydroxypterocarpan;] C20H20O5 340.131074 NA metacyc NA NA +MetaCyc03016 6-prenylnaringenin [] C20H20O5 340.131074 NA metacyc NA NA +MetaCyc03017 8-prenylnaringenin [] C20H20O5 340.131074 NA metacyc NA NA +MetaCyc03018 desmethylxanthohumol [] C20H20O5 340.131074 NA metacyc NA NA +C09753 Glepidotin B C20H20O5 340.1311 NA KEGG NA NA +C09832 6-Prenylnaringenin C20H20O5 340.1311 NA KEGG NA NA +C10418 (+-)-5-Deoxykievitone C20H20O5 340.1311 NA KEGG NA NA +C10616 (+)-Galbacin C20H20O5 340.1311 NA KEGG NA NA +C15509 2-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan C20H20O5 340.1311 NA KEGG NA NA +C15510 4-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan C20H20O5 340.1311 NA KEGG NA NA +C16416 Desmethylxanthohumol C20H20O5 340.1311 NA KEGG NA NA +C18023 Sophoraflavanone B C20H20O5 340.1311 NA KEGG NA NA +MJ039274 4-(4-Chlorophenyl)-1-(1H-indol-3-ylmethyl)-4-piperidinol C20H21ClN2O 340.134241 NA MeJP NA NA +C04698 Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside C13H24O10 340.1369 NA KEGG NA NA +MJ039275 2-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Me glycoside C13H24O10 340.136946 NA MeJP NA NA +MJ039276 3-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Me glycoside C13H24O10 340.136946 NA MeJP NA NA +MJ039277 4-O-?-D-Galactopyranosyl-L-rhamnose; ?-Pyranose-form, 3'-Me C13H24O10 340.136946 NA MeJP NA NA +MJ039278 Flambabiose C13H24O10 340.136946 NA MeJP NA NA +C03712 N2,N5-Dibenzoyl-L-ornithine C19H20N2O4 340.1423 NA KEGG NA NA +C03715 O-Alkylglycerone phosphate C3H6O6PR 340.1423 NA KEGG NA NA +MJ039279 Crotonosine, Me ether, N-carbamoyl C19H20N2O4 340.142307 NA MeJP NA NA +MJ039280 Dihydroalamarine C19H20N2O4 340.142307 NA MeJP NA NA +MJ039281 Gelsedine; 4,20-Didehydro, 19-oxo C19H20N2O4 340.142307 NA MeJP NA NA +MJ039282 Halfordinol; O-(2,3-Dihydroxy-3-methylbutyl) C19H20N2O4 340.142307 NA MeJP NA NA +MetaCyc03019 N2,N5-Dibenzoyl-L-ornithine [L-Ornithuric acid;] C19H20N2O4 340.142307 NA metacyc NA NA +MJ039283 Zopfinol C18H25ClO4 340.144136 NA MeJP NA NA +MJ039284 3-Amino-3-deoxy-?-D-glucopyranosyl 3-amino-3-deoxy-?-D-glucopyranoside C12H24N2O9 340.14818 NA MeJP NA NA +MJ039285 3-Amino-3-deoxy-?-D-glucopyranosyl 3-amino-3-deoxy-?-D-glucopyranoside C12H24N2O9 340.14818 NA MeJP NA NA +MJ039286 Antibiotic FU 10 C12H24N2O9 340.14818 NA MeJP NA NA +MJ039287 Chitobiose C12H24N2O9 340.14818 NA MeJP NA NA +MJ039288 Neomycin G C12H24N2O9 340.14818 NA MeJP NA NA +C17971 Fortimicin FU-10 C12H24N2O9 340.1482 NA KEGG NA NA +PJ000389 GQH C13H20N6O5 340.1495 NA PeJP NA NA +MJ039289 Antibiotic SF 98 C13H20N6O5 340.149517 NA MeJP NA NA +MJ039290 1,3,4,13-Tetrahydroxy-7(11)-eudesmen-12,6-olide, 3-Ac C17H24O7 340.152203 NA MeJP NA NA +MJ039291 1,3,8,10-Tetrahydroxy-4,11(13)-germacradien-12,6-olide, 3-Ac C17H24O7 340.152203 NA MeJP NA NA +MJ039292 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 13-Et ether C17H24O7 340.152203 NA MeJP NA NA +MJ039293 2,3,4,8-Tetrahydroxy-1(10),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 3-Ac C17H24O7 340.152203 NA MeJP NA NA +MJ039294 2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 6-Ac C17H24O7 340.152203 NA MeJP NA NA +MJ039295 3,4,8,10-Tetrahydroxy-1-guaien-12,6-olide, 8-Ac C17H24O7 340.152203 NA MeJP NA NA +MJ039296 3,4,8,15-Scirpenetetrol, 15-Ac C17H24O7 340.152203 NA MeJP NA NA +MJ039297 3,4,8,15-Scirpenetetrol, 4-Ac C17H24O7 340.152203 NA MeJP NA NA +MJ039298 3,4,8,15-Scirpenetetrol, 8-Ac C17H24O7 340.152203 NA MeJP NA NA +MJ039299 3,5,7-Trihydroxy-p-menth-1-en-6-one, 3-(3-Hydroxy-2-methylenebutanoyl), 5-Ac C17H24O7 340.152203 NA MeJP NA NA +MJ039300 3,5,7-Trihydroxy-p-menth-1-en-6-one, 5-(4-Hydroxy-2-methyl-2-butenoyl), 3-Ac C17H24O7 340.152203 NA MeJP NA NA +MJ039301 Hymenoxon; 2?-Acetoxy C17H24O7 340.152203 NA MeJP NA NA +MJ039302 p-Mentha-1,3,5-triene-2,5,8,9,10-pentol; 2-Me ether, 9-(methylpropanoyl), 10-Ac C17H24O7 340.152203 NA MeJP NA NA +MJ039303 p-Mentha-1,3,5-triene-3,7,8,9,10-pentol; 7-(2-Methylbutanoyl), 9-Ac C17H24O7 340.152203 NA MeJP NA NA +MJ039304 Eticlopride C17H25ClN2O3 340.15537 NA MeJP NA NA +C16607 Citalopram N-oxide C20H21FN2O2 340.1587 NA KEGG NA NA +C07405 Propiomazine C20H24N2OS 340.1609 NA KEGG NA NA +C11715 Lucanthone C20H24N2OS 340.1609 NA KEGG NA NA +MJ039305 Botiacrine C20H24N2OS 340.160934 NA MeJP NA NA +MJ039306 Cinanserin C20H24N2OS 340.160934 NA MeJP NA NA +MJ039307 Lucanthone C20H24N2OS 340.160934 NA MeJP NA NA +MJ039308 Propiomazine C20H24N2OS 340.160934 NA MeJP NA NA +MJ039309 Pirisudanol C16H24N2O6 340.163436 NA MeJP NA NA +FL1DA9NI0002 2',6'-Dihydroxy-4'-methoxy-3'-prenyldihydrochalcone C21H24O4 340.16745 85526-72-3 knapsack NA NA +FL1DA9NI0004 2'-Hydroxy-6'-methoxy-4'-prenyloxydihydrochalcone C21H24O4 340.16745 - knapsack NA NA +FLIC1LNI0001 2'-O-Methylphaseollidinisoflavan C21H24O4 340.16745 56257-28-4 knapsack NA NA +FLIC1LNI0004 Millinol B;(3R)-7,4'-Dihydroxy-2'-methoxy-6-(1,1-dimethylallyl)isoflavan C21H24O4 340.16745 121747-85-1 knapsack NA NA +FLIC1LNI0005 4'-O-Methylpreglabridin;(3S)-7,2'-Dihydroxy-4'-methoxy-8-prenylisoflavan C21H24O4 340.16745 105072-18-2 knapsack NA NA +MJ039310 1,7,8,12b-Tetrahydro-2,2,4-trimethyl-2H-benzo[6,7]cyclohepta[1,2,3-de][1]benzopyran-5,9,10-triol; 10-Me ether C21H24O4 340.167459 NA MeJP NA NA +MJ039311 2',4',7-Trihydroxy-3'-prenylisoflavan; 2'-Me ether C21H24O4 340.167459 NA MeJP NA NA +MJ039312 2',4',7-Trihydroxy-3'-prenylisoflavan; 4'-Me ether C21H24O4 340.167459 NA MeJP NA NA +MJ039313 2',4',7-Trihydroxy-8-prenylflavan, 4'-Me ether C21H24O4 340.167459 NA MeJP NA NA +MJ039314 2',4',7-Trihydroxy-8-prenylflavan, 7-Me ether C21H24O4 340.167459 NA MeJP NA NA +MJ039315 2',4',7-Trihydroxy-8-prenylisoflavan, 4'-Me ether C21H24O4 340.167459 NA MeJP NA NA +MJ039316 2,4-Dihydroxy-6-(2-phenylethyl)-3-prenylbenzoic acid; 4-Me ether C21H24O4 340.167459 NA MeJP NA NA +MJ039317 2-(3,7-Dimethyl-2,6-octadienyl)-5,7-dihydroxy-3-methyl-1,4-naphthoquinone C21H24O4 340.167459 NA MeJP NA NA +MJ039318 3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2'-Me ether, 4'-O-(3-methyl-2-butenyl) C21H24O4 340.167459 NA MeJP NA NA +MJ039319 3-Phenyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone; 4'-Me ether C21H24O4 340.167459 NA MeJP NA NA +MJ039320 4,6-Dihydroxy-3-(3-methyl-2-butenyl)-2-(2-phenylethyl)benzoic acid; Me ester C21H24O4 340.167459 NA MeJP NA NA +MJ039321 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5-triol, Tri-Me ether C21H24O4 340.167459 NA MeJP NA NA +MJ039322 5-(3,7-Dimethyl-2,6-octadienyl)-3,6-dihydroxy-2-methyl-1,4-naphthoquinone C21H24O4 340.167459 NA MeJP NA NA +MJ039323 Allopteroxylin; 6-(3-Methyl-2-butenyl), Me ether C21H24O4 340.167459 NA MeJP NA NA +MJ039324 Carinatidin; 2?,3?-Dihydro, Me ether C21H24O4 340.167459 NA MeJP NA NA +MJ039325 Chettaphanin II C21H24O4 340.167459 NA MeJP NA NA +MJ039326 Dactyloidin; O-De-Me C21H24O4 340.167459 NA MeJP NA NA +MJ039327 Dehydrodieugenol; Mono-Me ether C21H24O4 340.167459 NA MeJP NA NA +MJ039328 Millinol, 2'-Me ether C21H24O4 340.167459 NA MeJP NA NA +MJ039329 Millinol, 4'-Me ether C21H24O4 340.167459 NA MeJP NA NA +MJ039330 Myricanol; Ketone, 5-deoxy C21H24O4 340.167459 NA MeJP NA NA +MJ039331 Nitenin C21H24O4 340.167459 NA MeJP NA NA +MJ039332 Otobaphenol; Me ether C21H24O4 340.167459 NA MeJP NA NA +MJ039333 Panicein G; 1'-Aldehyde C21H24O4 340.167459 NA MeJP NA NA +MJ039334 Taxamairin A; 3?-Alcohol C21H24O4 340.167459 NA MeJP NA NA +MJ039335 Taxamairin A; 5?,6-Dihydro C21H24O4 340.167459 NA MeJP NA NA +C14348 Bisphenol A diglycidyl ether C21H24O4 340.1675 NA KEGG NA NA +C14637 16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, C21H24O4 340.1675 NA KEGG NA NA +2937 myelopeptide FLGFPT 340.17 MH2+ Inhouse_peptide NA peptide +PJ000390 PPQ C15H24N4O5 340.1747 NA PeJP NA NA +HMDB01091 3-Hydroxyquinine C20H24N2O3 340.17868 http://www.hmdb.ca/metabolites/HMDB01091 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01091 3-Hydroxyquinine C20H24N2O3 340.17868 http://www.hmdb.ca/metabolites/HMDB01091 HMDB NA NA +HMDB01091 3-Hydroxyquinine C20H24N2O3 340.17868 http://www.hmdb.ca/metabolites/HMDB01091 PFEM_hmdb_metabocards_blood NA blood +HMDB01091 3-Hydroxyquinine C20H24N2O3 340.17868 HMDB01091 PFEM_hmdb_metabocards_official NA NA +HMDB01091 3-Hydroxyquinine C20H24N2O3 340.17868 NA HMDB2010 NA NA +MJ039336 1-[3-(3,4-Methylenedioxyphenoxy)propyl]-4-phenylpiperazine C20H24N2O3 340.178692 NA MeJP NA NA +MJ039337 21-Hydroxycyclolochnerine C20H24N2O3 340.178692 NA MeJP NA NA +MJ039338 3,6-Oxidoiboxygaine C20H24N2O3 340.178692 NA MeJP NA NA +MJ039339 6,17-Epoxy-19,20-dihydro-1-methylsarpagan-17,21-diol C20H24N2O3 340.178692 NA MeJP NA NA +MJ039340 Affinine; 16-Epimer, 10-hydroxy C20H24N2O3 340.178692 NA MeJP NA NA +MJ039341 Akagerine; 10-Hydroxy C20H24N2O3 340.178692 NA MeJP NA NA +MJ039342 Akuammicine, 19,20-Dihydro, 18- or 19-hydroxy C20H24N2O3 340.178692 NA MeJP NA NA +MJ039343 Akuammicine, 19,20-Dihydro, hydroxy C20H24N2O3 340.178692 NA MeJP NA NA +MJ039344 Caracurine VII; 11-Methoxy C20H24N2O3 340.178692 NA MeJP NA NA +MJ039345 Deformyltalbotinic acid methyl ester C20H24N2O3 340.178692 NA MeJP NA NA +MJ039346 Echitamidine C20H24N2O3 340.178692 NA MeJP NA NA +MJ039347 Gelsemamide C20H24N2O3 340.178692 NA MeJP NA NA +MJ039348 Gelsemine; 18,19-Dihydro, 19R-hydroxy C20H24N2O3 340.178692 NA MeJP NA NA +MJ039349 Humantenirine; 11-Demethoxy C20H24N2O3 340.178692 NA MeJP NA NA +MJ039350 Ibophyllidine, Nb-Oxide C20H24N2O3 340.178692 NA MeJP NA NA +MJ039351 Leuconolam; Me ether C20H24N2O3 340.178692 NA MeJP NA NA +MJ039352 Leuconolam; N-Me C20H24N2O3 340.178692 NA MeJP NA NA +MJ039353 Lochneridine C20H24N2O3 340.178692 NA MeJP NA NA +MJ039354 N-Acetylphenylalanylphenylalaninol; L-L-form C20H24N2O3 340.178692 NA MeJP NA NA +MJ039355 Nofecainide C20H24N2O3 340.178692 NA MeJP NA NA +MJ039356 Oliganine C20H24N2O3 340.178692 NA MeJP NA NA +MJ039357 Ophiorrhizine-12-carboxylate C20H24N2O3 340.178692 NA MeJP NA NA +MJ039358 Raucubaine C20H24N2O3 340.178692 NA MeJP NA NA +MJ039359 Sarpagine; 18-Hydroxy, O10-Me C20H24N2O3 340.178692 NA MeJP NA NA +MJ039360 Tubotaiwine; 11-Hydroxy C20H24N2O3 340.178692 NA MeJP NA NA +MJ039361 Tubotaiwine; 19-Hydroxy C20H24N2O3 340.178692 NA MeJP NA NA +MJ039362 Tubotaiwine; N4-Oxide C20H24N2O3 340.178692 NA MeJP NA NA +MJ039363 Undulifoline C20H24N2O3 340.178692 NA MeJP NA NA +MJ039364 Vallesamine C20H24N2O3 340.178692 NA MeJP NA NA +MJ039365 Yohimbic acid C20H24N2O3 340.178692 NA MeJP NA NA +MJ039366 Verticillatine C20H25N2O3(+) 340.178692 NA MeJP NA NA +MetaCyc03020 3-hydroxyquinine [] C20H24N2O3 340.178693 NA metacyc NA NA +C07344 3-Hydroxyquinine C20H24N2O3 340.1787 NA KEGG NA NA +MJ039367 Egregiachloride A C19H29ClO3 340.180522 NA MeJP NA NA +PJ000391 GKH C14H24N6O4 340.1859 NA PeJP NA NA +MJ039368 Glycylhistidyllysine; L-L-form C14H24N6O4 340.185903 NA MeJP NA NA +2623 synthetic fr,of human beta-CN (63-68) ACE inhibitor PQNILP 340.18645 MH2+ Inhouse_peptide NA peptide +MJ039369 10,15-Epoxy-6-caryophyllene-4,5,9,15-tetrol, 5-Me ether, 9-Ac C18H28O6 340.188588 NA MeJP NA NA +MJ039370 3,4,5,8,9,10-Hexahydro-3,8,9-trihydroxy-10-propyl-2H-oxecin-2-one, 6,7-Dihydro, 3-O-(2E,4E-hexadienoyl) C18H28O6 340.188588 NA MeJP NA NA +MJ039371 4,5,10-Trihydroxy-11(13)-amorphen-12-oic acid, 5-Ac, Me ester C18H28O6 340.188588 NA MeJP NA NA +MJ039372 5,6-Dihydro-6-(6-hydroxyheptyl)-2H-pyran-2-one, 6'-3-(Ethoxycarbonyl)propanoyl C18H28O6 340.188588 NA MeJP NA NA +MJ039373 5-[Tetrahydro-4-hydroxy-2-(3-hydroxy-1-octenyl)-6-oxo-2H-pyran-3-yl]-3-pentenoic acid C18H28O6 340.188588 NA MeJP NA NA +MJ039374 Deacetyldihydrobotrydial; 15-Oxo, 10-Me ether, 4-Ac C18H28O6 340.188588 NA MeJP NA NA +MJ039375 Deacetyldihydrobotrydial; 15-Oxo, 10-epimer, 10-Me ether, 4-Ac C18H28O6 340.188588 NA MeJP NA NA +C07420 Pentamidine C19H24N4O2 340.1899 NA KEGG NA NA +MJ039376 Pentamidine C19H24N4O2 340.189926 NA MeJP NA NA +MJ039377 Zanthoxyphylline C21H26NO3 340.191268 NA MeJP NA NA +C07849 Methantheline C21H26NO3 340.1913 NA KEGG NA NA +C07850 Transferred to D00715 C21H26NO3 340.1913 NA KEGG NA NA +MJ039378 Acridorex C24H24N2 340.193948 NA MeJP NA NA +MJ039379 1-[2-(3,4-Dihydro-1H-2-benzopyran-1-yl)ethyl]-4-(4-fluorophenyl)piperazine C21H25FN2O 340.195091 NA MeJP NA NA +7645 ACE inhibitor from porcine myosin (981-983 PPK 340.198 antioxidative Inhouse_peptide NA peptide +8168 peptide derived from ?-casein (109-111) PPK 340.198 antibacterial Inhouse_peptide NA peptide +MJ039380 Perindoprilat C17H28N2O5 340.199822 NA MeJP NA NA +11 Myosin PPK 340.2 celiac toxic Inhouse_peptide NA peptide +C08152 Norethindrone acetate C22H28O3 340.2038 NA KEGG NA NA +C15090 17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, C22H28O3 340.2038 NA KEGG NA NA +HMDB03033 Canrenone C22H28O3 340.20383 http://www.hmdb.ca/metabolites/HMDB03033 HMDB NA NA +HMDB03033 Canrenone C22H28O3 340.20383 HMDB03033 PFEM_hmdb_metabocards_official NA NA +MJ039381 1(10),3-Guaiadien-8-ol; 8?-form, O-(4-Hydroxybenzoyl) C22H28O3 340.203844 NA MeJP NA NA +MJ039382 1,3(15),6-Humulatrien-10-ol; 4-Hydroxybenzoyl C22H28O3 340.203844 NA MeJP NA NA +MJ039383 1,3(15),6-Humulatrien-9-ol, O-(4-Hydroxybenzoyl) C22H28O3 340.203844 NA MeJP NA NA +MJ039384 1,3(15),6-Humulatrien-9-ol; O-(4-Hydroxybenzoyl) C22H28O3 340.203844 NA MeJP NA NA +MJ039385 1-Hydroxy-2,6-humuladien-15-al; Benzoyl C22H28O3 340.203844 NA MeJP NA NA +MJ039386 17-Hydroxy-16-methylenepregna-4,6-diene-3,20-dione C22H28O3 340.203844 NA MeJP NA NA +MJ039387 3(15),6-Caryophylladien-9-ol, 3?,15-Epoxide, benzoyl C22H28O3 340.203844 NA MeJP NA NA +MJ039388 Cristatin C22H28O3 340.203844 NA MeJP NA NA +MJ039389 Frondosin D, Me ether C22H28O3 340.203844 NA MeJP NA NA +MJ039390 Furanoquinone; Hydroquinone C22H28O3 340.203844 NA MeJP NA NA +MJ039391 Kneglomerantanone A C22H28O3 340.203844 NA MeJP NA NA +MJ039392 Norethisterone; Ac C22H28O3 340.203844 NA MeJP NA NA +MJ039393 Peperobtusin B C22H28O3 340.203844 NA MeJP NA NA +MJ039394 Piperochromenoic acid C22H28O3 340.203844 NA MeJP NA NA +MJ039395 Salvonitin C22H28O3 340.203844 NA MeJP NA NA +MJ039396 Smenochromene C C22H28O3 340.203844 NA MeJP NA NA +HMDB03033 Canrenone C22H28O3 340.203857 NA HMDB2010 NA NA +PJ000392 PPK C16H28N4O4 340.2111 NA PeJP NA NA +MJ039397 2,7,19,20-Tetrahydro-3-hydroxy-1-methylvobasan-17-oic acid ?-lactone C21H28N2O2 340.215078 NA MeJP NA NA +MJ039398 Alstomacroine C21H28N2O2 340.215078 NA MeJP NA NA +MJ039399 Aspidofractinine, 11,12-Dimethoxy C21H28N2O2 340.215078 NA MeJP NA NA +MJ039400 Aspidospermatine; 14,19-Dihydro C21H28N2O2 340.215078 NA MeJP NA NA +MJ039401 Deacetylaspidospermine, N-Formyl C21H28N2O2 340.215078 NA MeJP NA NA +MJ039402 Decloxizine C21H28N2O2 340.215078 NA MeJP NA NA +MJ039403 Demethylaspidospermine C21H28N2O2 340.215078 NA MeJP NA NA +MJ039404 Dendrochrysine C21H28N2O2 340.215078 NA MeJP NA NA +MJ039405 Eburine C21H28N2O2 340.215078 NA MeJP NA NA +MJ039406 Epivincadine C21H28N2O2 340.215078 NA MeJP NA NA +MJ039407 Ethylhydrocuprein C21H28N2O2 340.215078 NA MeJP NA NA +MJ039408 Hyderabadine C21H28N2O2 340.215078 NA MeJP NA NA +MJ039409 Ibogamine, 10,11-Dimethoxy C21H28N2O2 340.215078 NA MeJP NA NA +MJ039410 Quinicinol; 10,11-Dihydro, 9-ketone, N-Me C21H28N2O2 340.215078 NA MeJP NA NA +MJ039411 Quinicinol; N-Me C21H28N2O2 340.215078 NA MeJP NA NA +MJ039412 Raumacline; Nb-Me C21H28N2O2 340.215078 NA MeJP NA NA +MJ039413 Sandwicolidine C21H28N2O2 340.215078 NA MeJP NA NA +MJ039414 Secodine; 16,17-Dihydro C21H28N2O2 340.215078 NA MeJP NA NA +MJ039415 Vincadine C21H28N2O2 340.215078 NA MeJP NA NA +MJ039416 C-Fluorocurinine C21H29N2O2(+) 340.215078 NA MeJP NA NA +MJ039417 Corynantheol; 10-Methoxy, ?-N-metho salt C21H29N2O2(+) 340.215078 NA MeJP NA NA +MJ039418 Corynantheol; 10-Methoxy, Nb-Me(?-) C21H29N2O2(+) 340.215078 NA MeJP NA NA +MJ039419 Geissoschizol; 10-Methoxy, N-Me C21H29N2O2(+) 340.215078 NA MeJP NA NA +MJ039420 Geissoschizol; 9-Methoxy, Nb-Me C21H29N2O2(+) 340.215078 NA MeJP NA NA +MJ039421 2,5-Dihydro-2-methoxy-3,4-dimethyl-5-oxo-2-furanundecanoic acid, Me ester C19H32O5 340.224974 NA MeJP NA NA +MJ039422 3,5-Dihydro-3-hydroxymonacolin L C19H32O5 340.224974 NA MeJP NA NA +MJ039423 3,8-Dihydroxy-13,14,15,16-tetranor-12-labdanoic acid, 8-Ac, Me ester C19H32O5 340.224974 NA MeJP NA NA +MJ039424 3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-tetradecanoyl-2(5H)-furanone C19H32O5 340.224974 NA MeJP NA NA +MJ039425 Octalactin B C19H32O5 340.224974 NA MeJP NA NA +MJ039426 Terguride C20H28N4O 340.226311 NA MeJP NA NA +C07628 Dimethisterone C23H32O2 340.2402 NA KEGG NA NA +C15186 5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate C23H32O2 340.2402 NA KEGG NA NA +MJ039427 1,11-Undecanediol; Di-Ph ether C23H32O2 340.24023 NA MeJP NA NA +MJ039428 2,2'-Methylenebis[6-tert-butyl-4-methylphenol] C23H32O2 340.24023 NA MeJP NA NA +MJ039429 5-Heptadecyl-1,3-benzenediol; 5',6',8',9',11',12',14',15'-Octadehydro(all-Z) C23H32O2 340.24023 NA MeJP NA NA +MJ039430 7-[3,5-Bis(1,1-dimethylethyl)phenyl]-3-methyl-2,4,6-octatrienoic acid C23H32O2 340.24023 NA MeJP NA NA +MJ039431 Dimethisterone C23H32O2 340.24023 NA MeJP NA NA +MJ039432 Medrogestone C23H32O2 340.24023 NA MeJP NA NA +MJ039433 Plastoquinone; Plastoquinone 3 C23H32O2 340.24023 NA MeJP NA NA +C14616 (3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17- C20H33FO3 340.2414 NA KEGG NA NA +C14883 (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17- C20H33FO3 340.2414 NA KEGG NA NA +MJ039434 7,20-Diisocyanoisocycloamphilectane; 20-Isocyanate C22H32N2O 340.251463 NA MeJP NA NA +MJ039435 7,20-Diisocyanoisocycloamphilectane; 7-Isocyanate C22H32N2O 340.251463 NA MeJP NA NA +MJ039436 Conkurchineyl C22H32N2O 340.251463 NA MeJP NA NA +MJ039437 Kalihinene C22H32N2O 340.251463 NA MeJP NA NA +C14998 17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol C22H32N2O 340.2515 NA KEGG NA NA +C15197 17beta-Pyrazol-3-ylandrost-5-en-3beta-ol C22H32N2O 340.2515 NA KEGG NA NA +MJ039438 1,11,15-Trihydroxy-13-prosten-9-one C20H36O4 340.261359 NA MeJP NA NA +MJ039439 1,6,10-Phytatriene-3,14,15-triol, 5-Hydroxy C20H36O4 340.261359 NA MeJP NA NA +MJ039440 10-Hydroxy-8-oxo-9-octadecenoic acid, Me ether, Me ester C20H36O4 340.261359 NA MeJP NA NA +MJ039441 11-Hydroxy-9-oxo-10-nonadecenoic acid, Me ether C20H36O4 340.261359 NA MeJP NA NA +MJ039442 13-Labdene-2,3,8,15-tetrol C20H36O4 340.261359 NA MeJP NA NA +MJ039443 14-Clerodene-2,3,4,13-tetrol C20H36O4 340.261359 NA MeJP NA NA +MJ039444 2,4,15,16-Erythroxylanetetrol C20H36O4 340.261359 NA MeJP NA NA +MJ039445 2,6,10-Phytatriene-1,14,15,20-tetrol C20H36O4 340.261359 NA MeJP NA NA +MJ039446 2,7-Cembradiene-4,6,11,12-tetrol C20H36O4 340.261359 NA MeJP NA NA +MJ039447 3,4-Dihydroxy-15-clerodanoic acid C20H36O4 340.261359 NA MeJP NA NA +MJ039448 3,8,15,16-Pimaranetetrol C20H36O4 340.261359 NA MeJP NA NA +MJ039449 3,8-Dihydroxy-15-labdanoic acid C20H36O4 340.261359 NA MeJP NA NA +MJ039450 4,15,16-Trihydroxy-4,5-seco-5-rosanone C20H36O4 340.261359 NA MeJP NA NA +MJ039451 5-Labdene-15,16,18,19-tetrol C20H36O4 340.261359 NA MeJP NA NA +MJ039452 6,13-Epoxy-4,8,12-eunicellanetriol C20H36O4 340.261359 NA MeJP NA NA +MJ039453 6,8-Dihydroxy-15-labdanoic acid C20H36O4 340.261359 NA MeJP NA NA +MJ039454 8(17)-Labdene-7,13,14,15-tetrol C20H36O4 340.261359 NA MeJP NA NA +MJ039455 8,13-Epoxy-11,14,15-labdanetriol C20H36O4 340.261359 NA MeJP NA NA +MJ039456 8,13-Epoxy-12,14,15-labdanetriol C20H36O4 340.261359 NA MeJP NA NA +MJ039457 8,13-Epoxy-14,15,18-labdanetriol C20H36O4 340.261359 NA MeJP NA NA +MJ039458 8,13-Epoxy-14,15,19-labdanetriol C20H36O4 340.261359 NA MeJP NA NA +MJ039459 8,13-Epoxy-7,14,15-labdanetriol C20H36O4 340.261359 NA MeJP NA NA +MJ039460 Plakortide J; 4-Epimer, 11,12-dihydro C20H36O4 340.261359 NA MeJP NA NA +MJ039461 Plakortide J; 4-Epimer, 7,8-dihydro C20H36O4 340.261359 NA MeJP NA NA +MJ039462 5-Oxoheneicosanoic acid C21H40O3 340.297745 NA MeJP NA NA +MJ039463 6,8,15-Labdanetriol, 6-Me ether C21H40O3 340.297745 NA MeJP NA NA +C08281 Docosanoic acid C22H44O2 340.3341 NA KEGG NA NA +MJ039464 1-Eicosanol; Ac C22H44O2 340.33413 NA MeJP NA NA +MJ039465 16-Methyl-1-heptadecanol; 2-Methylpropanoyl C22H44O2 340.33413 NA MeJP NA NA +MJ039466 4,6-Docosanedione; 4-Alcohol C22H44O2 340.33413 NA MeJP NA NA +MJ039467 5,7-Docosanedione; 5-Alcohol C22H44O2 340.33413 NA MeJP NA NA +MJ039468 6,8-Docosanedione; 6-Alcohol C22H44O2 340.33413 NA MeJP NA NA +MJ039469 6,8-Docosanedione; 8-Alcohol C22H44O2 340.33413 NA MeJP NA NA +MJ039470 Docosanoic acid C22H44O2 340.33413 NA MeJP NA NA +MJ039471 Eicosanoic acid; Et ester C22H44O2 340.33413 NA MeJP NA NA +MetaCyc03021 docosanoate [Behenic acid;Docosanoic acid;] C22H44O2 340.334131 NA metacyc NA NA +HMDB00944 Behenic acid C22H44O2 340.334137 NA HMDB2010 NA NA +HMDB00944 Behenic acid C22H44O2 340.33414 http://www.hmdb.ca/metabolites/HMDB00944 HMDB NA NA +HMDB00944 Behenic acid C22H44O2 340.33414 HMDB00944 PFEM_hmdb_metabocards_official NA NA +MJ039472 1-Tricosanol C23H48O 340.370516 NA MeJP NA NA +MJ039473 12-Tricosanol C23H48O 340.370516 NA MeJP NA NA +2654 synthetic fr, of human beta-CN (165-170) ACE inhibitor PQEVLP 340.678 MH2+ Inhouse_peptide NA peptide +MJ039474 4,7-Dibromo-2,3-dichloro-1H-indole C8H3Br2Cl2N 340.800929 NA MeJP NA NA +C10977 Thiadiazolidinethione C12H12BrN3S2 340.9656 NA KEGG NA NA +C10978 Triazolidinedithione C12H12BrN3S2 340.9656 NA KEGG NA NA +C11066 MC-4379 C14H9Cl2NO5 340.9858 NA KEGG NA NA +MJ039475 Pluracidomycin A2 C9H11NO9S2 340.987522 NA MeJP NA NA +MJ039476 (Nitrato-O)phenylmercury C6H5HgNO3 340.997568 NA MeJP NA NA +MJ039477 Dispacamide A; 2-Debromo, 9-hydroxy C11H12BrN5O3 341.012351 NA MeJP NA NA +MJ039478 Gerrardine; 1'-S-Oxide C11H19NO3S4 341.024776 NA MeJP NA NA +MJ039479 Linotroban C14H15NO5S2 341.039163 NA MeJP NA NA +MJ039480 Cepharadione B; 7-Chloro, N-de-Me C18H12ClNO4 341.045485 NA MeJP NA NA +MJ039481 Climazolam C18H13Cl2N3 341.048652 NA MeJP NA NA +MJ039482 3,4-Methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; 9-Methoxy C17H11NO7 341.053551 NA MeJP NA NA +MJ039483 6-Hydroxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Me ether C17H11NO7 341.053551 NA MeJP NA NA +MJ039484 8-Hydroxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Me ester C17H11NO7 341.053551 NA MeJP NA NA +MJ039485 8-Methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid C17H11NO7 341.053551 NA MeJP NA NA +MJ039486 Trididemnic acid A; 3'-Hydroxy C17H11NO7 341.053551 NA MeJP NA NA +C08469 Aristolochic acid C17H11NO7 341.0536 NA KEGG NA NA +C11121 Propiconazole C15H17Cl2N3O2 341.0698 NA KEGG NA NA +MJ039487 Guaisteine C15H19NO4S2 341.075549 NA MeJP NA NA +CJpos0766 Indoleacetyl glutamine [(M+K)]+ C15H17KN3O4 341.076975 C18rt(min)=6.05 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0766 Indoleacetyl glutamine [(M+K)]+ C15H17KN3O4 341.076975 C18rt(min)=6.05 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ039488 Arcyriaflavin A; 2-Hydroxy C20H11N3O3 341.080041 NA MeJP NA NA +MJ039489 Arcyroxindole A C20H11N3O3 341.080041 NA MeJP NA NA +MJ039490 Arcyroxocin A C20H11N3O3 341.080041 NA MeJP NA NA +MJ039491 Rutacridone; 3'-Chloro C19H16ClNO3 341.081871 NA MeJP NA NA +MJ039492 3,4-Dihydroxy-10-nitro-1-phenanthrenecarboxylic acid; Di-Me ether, Me ester C18H15NO6 341.089937 NA MeJP NA NA +MJ039493 6-[[5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]methyl]-3(2H)-pyridazinone C18H16ClN3O2 341.093104 NA MeJP NA NA +CJneg0541 Indoleacetyl glutamine [(M+Cl)]- (37Cl) C15H17Cl037ClN3O4 341.096225 C18rt(min)=6.05 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0541 Indoleacetyl glutamine [(M+Cl)]- (37Cl) C15H17Cl037ClN3O4 341.096225 C18rt(min)=6.05 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +C17248 4-Methylthiobutyl-desulfoglucosinolate C12H23NO6S2 341.0967 NA KEGG NA NA +MJ039494 9-Hydroxy-6-hydroxymethyl-1-phenazinecarboxylic acid; 9-Me ether, 1'-O-aminoacetyl C17H15N3O5 341.10117 NA MeJP NA NA +C11567 2-Phenethylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3- C18H19N3S2 341.102 NA KEGG NA NA +PJ000393 GCY C14H19N3O5S 341.1046 NA PeJP NA NA +MJ039495 2-Amino-2-deoxyglucose, N-(3,4-Dihydroxycinnamoyl) C15H19NO8 341.111066 NA MeJP NA NA +MJ039496 Clathridine A C16H15N5O4 341.112403 NA MeJP NA NA +MJ039497 Antibiotic K 252c; 7-Methoxy C21H15N3O2 341.116426 NA MeJP NA NA +MJ039498 9-(1H-Benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-4-methoxy-5H-cyclohepta[b]pyridine C18H19N3O2S 341.119797 NA MeJP NA NA +C09380 Cassyfiline C19H19NO5 341.1263 NA KEGG NA NA +MJ039499 1,2-Dihydro-1,2-dihydroxyacromycine, N-De-Me C19H19NO5 341.126322 NA MeJP NA NA +MJ039500 4-Hydroxynornantenine C19H19NO5 341.126322 NA MeJP NA NA +MJ039501 Bulbocapnine, 4?-Hydroxy C19H19NO5 341.126322 NA MeJP NA NA +MJ039502 Bulbocapnine, N-Oxide(?-) C19H19NO5 341.126322 NA MeJP NA NA +MJ039503 Cassyfiline C19H19NO5 341.126322 NA MeJP NA NA +MJ039504 Duguetine; 7-Epimer, N-de-Me C19H19NO5 341.126322 NA MeJP NA NA +MJ039505 Duguevanine C19H19NO5 341.126322 NA MeJP NA NA +MJ039506 Eletefine C19H19NO5 341.126322 NA MeJP NA NA +MJ039507 Erythraline, 8-Oxo, 11?-methoxy C19H19NO5 341.126322 NA MeJP NA NA +MJ039508 Fumaritine; Natural-form, N-De-Me C19H19NO5 341.126322 NA MeJP NA NA +MJ039509 Graciline; 11S-Acetoxy C19H19NO5 341.126322 NA MeJP NA NA +MJ039510 Gravacridonediol C19H19NO5 341.126322 NA MeJP NA NA +MJ039511 Guatterine; N-Oxide C19H19NO5 341.126322 NA MeJP NA NA +MJ039512 Guattouregidine C19H19NO5 341.126322 NA MeJP NA NA +MJ039513 Hernandine C19H19NO5 341.126322 NA MeJP NA NA +MJ039514 Junosine; 2'?-Hydroxy, ?3'-isomer C19H19NO5 341.126322 NA MeJP NA NA +MJ039515 Ledecorine C19H19NO5 341.126322 NA MeJP NA NA +MJ039516 Luteoreticulin C19H19NO5 341.126322 NA MeJP NA NA +MJ039517 Nandigerine, N-Me, N-oxide (?-) C19H19NO5 341.126322 NA MeJP NA NA +MJ039518 Oliveridine, N-Oxide C19H19NO5 341.126322 NA MeJP NA NA +MJ039519 Phoebine, O1,N-Di-de-Me C19H19NO5 341.126322 NA MeJP NA NA +MJ039520 Phoebine, O2,N-Di-de-Me C19H19NO5 341.126322 NA MeJP NA NA +MJ039521 Phoebine, O3,N-Di-de-Me C19H19NO5 341.126322 NA MeJP NA NA +MJ039522 Regelinone C19H19NO5 341.126322 NA MeJP NA NA +MJ039523 Spixianine C19H19NO5 341.126322 NA MeJP NA NA +MJ039524 Cryptowoline, 13?-Hydroxy C19H20NO5(+) 341.126322 NA MeJP NA NA +MJ039525 Saripidem C19H20ClN3O 341.129489 NA MeJP NA NA +MJ039526 2-Trehalosamine C12H23NO10 341.132195 NA MeJP NA NA +MJ039527 3-Trehalosamine C12H23NO10 341.132195 NA MeJP NA NA +MJ039528 4-Trehalosamine C12H23NO10 341.132195 NA MeJP NA NA +MJ039529 ?-D-Galactopyranosyl-(1?3)-2-amino-2-deoxy-D-galactose C12H23NO10 341.132195 NA MeJP NA NA +MJ039530 Antibiotic X 14847 C12H23NO10 341.132195 NA MeJP NA NA +MJ039531 Lactosamine C12H23NO10 341.132195 NA MeJP NA NA +MJ039532 Maltosamine C12H23NO10 341.132195 NA MeJP NA NA +MJ039533 Mannosylglucosaminide C12H23NO10 341.132195 NA MeJP NA NA +MetaCyc03022 6-(α-D-glucosaminyl)-1D-myo-inositol [] C12H23N1O10 341.132196 NA metacyc NA NA +HMDB06591 Lactosamine C12H23NO10 341.1322 http://www.hmdb.ca/metabolites/HMDB06591 HMDB NA NA +C15658 6-(alpha-D-Glucosaminyl)-1D-myo-inositol C12H23NO10 341.1322 NA KEGG NA NA +HMDB06591 Lactosamine C12H23NO10 341.1322 HMDB06591 PFEM_hmdb_metabocards_official NA NA +HMDB06591 Lactosamine C12H23NO10 341.132202 NA HMDB2010 NA NA +HMDB11668 6-(alpha-D-Glucosaminyl)-1D-myo-inositol C12H23NO10 341.132202 NA HMDB2010 NA NA +PJ000394 GEH C13H19N5O6 341.1336 NA PeJP NA NA +C12766 Cyclacillin C15H23N3O4S 341.1409 NA KEGG NA NA +MJ039534 Ciclacillin C15H23N3O4S 341.140926 NA MeJP NA NA +MJ039535 Isosulpride C15H23N3O4S 341.140926 NA MeJP NA NA +MJ039536 Sulpiride C15H23N3O4S 341.140926 NA MeJP NA NA +MJ039537 Monocrotaline; N-Oxide C16H23NO7 341.147452 NA MeJP NA NA +PJ000395 HW C17H19N5O3 341.1488 NA PeJP NA NA +8222 antioxidative peptide NYKQM 341.14915 MH2+ Inhouse_peptide NA peptide +MJ039538 Clobenztropine C21H24ClNO 341.154642 NA MeJP NA NA +MJ039539 Leminoprazole C19H23N3OS 341.156183 NA MeJP NA NA +PJ000396 PPE C15H23N3O6 341.1587 NA PeJP NA NA +C04118 5,8,13,13a-Tetrahydrocolumbamine C20H23NO4 341.1627 NA KEGG NA NA +C07253 Naltrexone C20H23NO4 341.1627 NA KEGG NA NA +C09377 Caseadine C20H23NO4 341.1627 NA KEGG NA NA +C09411 Cularine C20H23NO4 341.1627 NA KEGG NA NA +C09549 Isocorydine C20H23NO4 341.1627 NA KEGG NA NA +MJ039540 5,8,13,13a-Tetrahydrocolumbamine C20H23NO4 341.162708 NA MeJP NA NA +MJ039541 7-O-Acetylsalutaridinol C20H23NO4 341.162708 NA MeJP NA NA +MJ039542 2,3,10,11-Tetrahydroxytetrahydroberberine, 3,10,11-Tri-Me ether C20H23NO4 341.162708 NA MeJP NA NA +MJ039543 2-Hydroxy-1,10,11-trimethoxyaporphine C20H23NO4 341.162708 NA MeJP NA NA +MJ039544 2-[4-[2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl]phenoxy]-2-methylpropanoic acid C20H23NO4 341.162708 NA MeJP NA NA +MJ039545 Bernumine; Me ether C20H23NO4 341.162708 NA MeJP NA NA +MJ039546 Caseadine C20H23NO4 341.162708 NA MeJP NA NA +MJ039547 Caseanadine C20H23NO4 341.162708 NA MeJP NA NA +MJ039548 Catalpifoline C20H23NO4 341.162708 NA MeJP NA NA +MJ039549 Corydalidzine C20H23NO4 341.162708 NA MeJP NA NA +MJ039550 Corydalmine C20H23NO4 341.162708 NA MeJP NA NA +MJ039551 Corydine C20H23NO4 341.162708 NA MeJP NA NA +MJ039552 Corypalmine C20H23NO4 341.162708 NA MeJP NA NA +MJ039553 Corytenchine C20H23NO4 341.162708 NA MeJP NA NA +MJ039554 Cularine C20H23NO4 341.162708 NA MeJP NA NA +MJ039555 Discretine C20H23NO4 341.162708 NA MeJP NA NA +MJ039556 Fissistigine B; Me ether C20H23NO4 341.162708 NA MeJP NA NA +MJ039557 Flavinine, O,N-Di-Me C20H23NO4 341.162708 NA MeJP NA NA +MJ039558 Glaucine, N-De-Me C20H23NO4 341.162708 NA MeJP NA NA +MJ039559 Hemiargyrine C20H23NO4 341.162708 NA MeJP NA NA +MJ039560 Hernagine, N-Me C20H23NO4 341.162708 NA MeJP NA NA +MJ039561 Isocorydine C20H23NO4 341.162708 NA MeJP NA NA +MJ039562 Isocorypalmine C20H23NO4 341.162708 NA MeJP NA NA +MJ039563 Isonorargemonine C20H23NO4 341.162708 NA MeJP NA NA +MJ039564 Isothalisopavine C20H23NO4 341.162708 NA MeJP NA NA +MJ039565 Kreysiginone; Natural-form C20H23NO4 341.162708 NA MeJP NA NA +MJ039566 Lauroscholtzine C20H23NO4 341.162708 NA MeJP NA NA +MJ039567 Lirioferine C20H23NO4 341.162708 NA MeJP NA NA +MJ039568 Naltrexone C20H23NO4 341.162708 NA MeJP NA NA +MJ039569 Norargemonine C20H23NO4 341.162708 NA MeJP NA NA +MJ039570 Pallidine; Me ether C20H23NO4 341.162708 NA MeJP NA NA +MJ039571 Platycerine C20H23NO4 341.162708 NA MeJP NA NA +MJ039572 Predicentrine C20H23NO4 341.162708 NA MeJP NA NA +MJ039573 Probovatine C20H23NO4 341.162708 NA MeJP NA NA +MJ039574 Roemerialinone C20H23NO4 341.162708 NA MeJP NA NA +MJ039575 Romneine C20H23NO4 341.162708 NA MeJP NA NA +MJ039576 Sarcocapnidine; Me ether C20H23NO4 341.162708 NA MeJP NA NA +MJ039577 Secocularidine C20H23NO4 341.162708 NA MeJP NA NA +MJ039578 Secosarcocapnidine C20H23NO4 341.162708 NA MeJP NA NA +MJ039579 Stenantherine, N-Me C20H23NO4 341.162708 NA MeJP NA NA +MJ039580 Thaliporphine C20H23NO4 341.162708 NA MeJP NA NA +MJ039581 Thalisopavine C20H23NO4 341.162708 NA MeJP NA NA +MJ039582 Thebacon C20H23NO4 341.162708 NA MeJP NA NA +MJ039583 Vochysine C20H23NO4 341.162708 NA MeJP NA NA +MJ039584 Zanthosimuline; ?2'-Isomer, 4'-hydroperoxy C20H23NO4 341.162708 NA MeJP NA NA +MJ039585 9,10-Dihydroxy-2,3-dimethoxytetrahydroprotoberberine, N-Me C20H24NO4(+) 341.162708 NA MeJP NA NA +MJ039586 Boldine, N-Me C20H24NO4(+) 341.162708 NA MeJP NA NA +MJ039587 Coreximine, N-Me C20H24NO4(+) 341.162708 NA MeJP NA NA +MJ039588 Corytuberine, N-Me C20H24NO4(+) 341.162708 NA MeJP NA NA +MJ039589 Isoboldine, N-Me C20H24NO4(+) 341.162708 NA MeJP NA NA +MJ039590 Isoscoulerine, N-Me C20H24NO4(+) 341.162708 NA MeJP NA NA +MJ039591 Lindcarpine, N-Di-Me C20H24NO4(+) 341.162708 NA MeJP NA NA +MJ039592 Przewalidine C20H24NO4(+) 341.162708 NA MeJP NA NA +MJ039593 Romneine, O4'-De-Me, N-Me C20H24NO4(+) 341.162708 NA MeJP NA NA +MJ039594 Suaveoline; N-Me C20H24NO4(+) 341.162708 NA MeJP NA NA +MJ039595 Trilobinine C20H24NO4(+) 341.162708 NA MeJP NA NA +MetaCyc03023 S-tetrahydrocolumbamine [5, 8, 13, 13a-tetrahydrocolumbamine;isocorypalmine;(13aS)-5, 8,13,13a-tetrahydro-3, 9,10-trimethoxy-6H-dibenzo [a, g] quinolizin-2-ol;] C20H23N1O4 341.162708 483-34-1 metacyc NA NA +PJ000397 SVH C14H23N5O5 341.1699 NA PeJP NA NA +MJ039596 Espatropate C19H23N3O3 341.173941 NA MeJP NA NA +MJ039597 Antibiotic LL-AM 31? C12H27N3O8 341.179814 NA MeJP NA NA +MJ039598 Antibiotic LL-AM 31? C12H27N3O8 341.179814 NA MeJP NA NA +MJ039599 Sorbistin D C12H27N3O8 341.179814 NA MeJP NA NA +MJ039600 Tibalosin C21H27NOS 341.181335 NA MeJP NA NA +C16750 Acetylintermedine C17H27NO6 341.1838 NA KEGG NA NA +C16751 Acetyllycopsamine C17H27NO6 341.1838 NA KEGG NA NA +MJ039601 Echinatine; 3'-Epimer, O7-Ac C17H27NO6 341.183837 NA MeJP NA NA +MJ039602 Echinatine; O7-Ac C17H27NO6 341.183837 NA MeJP NA NA +MJ039603 Indicine; 2'- or 3'-Epimer, 3'-Ac C17H27NO6 341.183837 NA MeJP NA NA +MJ039604 Indicine; 3'-Ac C17H27NO6 341.183837 NA MeJP NA NA +MJ039605 Intermedine; 3'-Epimer, O3'-Ac C17H27NO6 341.183837 NA MeJP NA NA +MJ039606 Intermedine; 3'-Epimer, O7-Ac C17H27NO6 341.183837 NA MeJP NA NA +MJ039607 Intermedine; O7-Ac C17H27NO6 341.183837 NA MeJP NA NA +MJ039608 Fenetylline C18H23N5O2 341.185175 NA MeJP NA NA +MJ039609 12-Hydroxynorcona-N(18),1,4-trienin-3-one; 12?-form, 11?-Hydroxy C21H27NO3 341.199093 NA MeJP NA NA +MJ039610 3-Hydroxy-3,3-diphenylpropanoic acid; 2-(Diethylamino)ethyl ester C21H27NO3 341.199093 NA MeJP NA NA +MJ039611 Benaprizine C21H27NO3 341.199093 NA MeJP NA NA +MJ039612 Delcarduchol C21H27NO3 341.199093 NA MeJP NA NA +MJ039613 Hetidine; 3-Deoxy C21H27NO3 341.199093 NA MeJP NA NA +MJ039614 Kurchamide C21H27NO3 341.199093 NA MeJP NA NA +MJ039615 Pipernonaline C21H27NO3 341.199093 NA MeJP NA NA +MJ039616 Propafenone C21H27NO3 341.199093 NA MeJP NA NA +MJ039617 Retrofractamides; Retrofractamide D C21H27NO3 341.199093 NA MeJP NA NA +C07381 Propafenone C21H27NO3 341.1991 NA KEGG NA NA +C07382 Transferred to D00481 C21H27NO3 341.1991 NA KEGG NA NA +2642 synthetic fr, of human beta-CN, ACE inhibitor ILP 341.22 NA Inhouse_peptide NA peptide +3167 diprotin A IPI 341.22 celiac toxic Inhouse_peptide NA peptide +3713 ACE inhibitor from alpha-zein LLP 341.22 ACE inhibitor Inhouse_peptide NA peptide +MJ039618 Isoleucylprolylisoleucine; L-L-L-form C17H31N3O4 341.231456 NA MeJP NA NA +PJ000398 PLL C17H31N3O4 341.2315 NA PeJP NA NA +MJ039619 2-Methylaminoavarone C22H31NO2 341.235479 NA MeJP NA NA +MJ039620 3-Methylaminoavarone C22H31NO2 341.235479 NA MeJP NA NA +MJ039621 Ajabicine; 1-Ketone C22H31NO2 341.235479 NA MeJP NA NA +MJ039622 Daphnilactone B C22H31NO2 341.235479 NA MeJP NA NA +MJ039623 Didymeline; 8,14-Dihydro C22H31NO2 341.235479 NA MeJP NA NA +MJ039624 Holadienine; 11?-Hydroxy C22H31NO2 341.235479 NA MeJP NA NA +MJ039625 Isodaphnilactone B C22H31NO2 341.235479 NA MeJP NA NA +MJ039626 Lindheimerine C22H31NO2 341.235479 NA MeJP NA NA +MJ039627 Malouetamide C22H31NO2 341.235479 NA MeJP NA NA +MJ039628 Spirafine II C22H31NO2 341.235479 NA MeJP NA NA +C08695 Lindheimerine C22H31NO2 341.2355 NA KEGG NA NA +C15637 Pregnenolone carbonitrile C22H31NO2 341.2355 NA KEGG NA NA +MJ039629 2-(Aminomethyl)-2-propenoic acid; N-(2-Hydroxytetradecanoyl), Me ester C19H35NO4 341.256608 NA MeJP NA NA +MJ039630 Pumiliotoxin 341A C19H35NO4 341.256608 NA MeJP NA NA +HMDB13326 trans-2-Dodecenoylcarnitine C19H35NO4 341.256622 NA HMDB2010 NA NA +MJ039631 2-Tridecyl-4(1H)-quinolinone; N-Me C23H35NO 341.271864 NA MeJP NA NA +MJ039632 20-Aminopregna-1,4-dien-3-one, N,N-Di-Me C23H35NO 341.271864 NA MeJP NA NA +TEST003 Methylglyoxal lysine dimere (MOLD) C16H29N4O4 341.4259 http://www.ebi.ac.uk/chebi/searchId.do;jsessionid=1E60DECB156E8D4D778BB8AABFF152D5?chebiId=CHEBI%3A59963 PFEM_hmdb_metabocards_urine NA urine +TEST003 Methylglyoxal lysine dimere (MOLD) C16H29N4O4 341.4259 http://www.ebi.ac.uk/chebi/searchId.do;jsessionid=1E60DECB156E8D4D778BB8AABFF152D5?chebiId=CHEBI%3A59963 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +TEST003 Methylglyoxal lysine dimere (MOLD) C16H29N4O4 341.4259 http://www.ebi.ac.uk/chebi/searchId.do;jsessionid=1E60DECB156E8D4D778BB8AABFF152D5?chebiId=CHEBI%3A59963 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +TEST003 Methylglyoxal lysine dimere (MOLD) C16H29N4O4 341.4259 http://www.ebi.ac.uk/chebi/searchId.do;jsessionid=1E60DECB156E8D4D778BB8AABFF152D5?chebiId=CHEBI%3A59963 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +TEST003 Methylglyoxal lysine dimère (MOLD) C16H29N4O4 341.4259 http://www.ebi.ac.uk/chebi/searchId.do;jsessionid=1E60DECB156E8D4D778BB8AABFF152D5?chebiId=CHEBI%3A59963 HMDB NA NA +TEST003 Methylglyoxal lysine dimere (MOLD) C16H29N4O4 341.4259 http://www.ebi.ac.uk/chebi/searchId.do;jsessionid=1E60DECB156E8D4D778BB8AABFF152D5?chebiId=CHEBI%3A59963 Inhouse_PFEM NA NA +TEST003 Methylglyoxal lysine dimere (MOLD) C16H29N4O4 341.4259 http://www.ebi.ac.uk/chebi/searchId.do;jsessionid=1E60DECB156E8D4D778BB8AABFF152D5?chebiId=CHEBI%3A59963 PFEM_hmdb_metabocards_blood NA blood +TEST003 Methylglyoxal lysine dimere (MOLD) C16H29N4O4 341.4259 http://www.ebi.ac.uk/chebi/searchId.do;jsessionid=1E60DECB156E8D4D778BB8AABFF152D5?chebiId=CHEBI%3A59963 PFEM_hmdb_metabocards_official NA NA +2578 NA PSQQQP 341.655 MH2+ Inhouse_peptide NA peptide +8142 peptide derived from wheat gluten AQIPQQ 341.6735 MH2+ Inhouse_peptide NA peptide +MJ039633 2,4,6-Tribromophenol; Me ether C7H5Br3O 341.789052 NA MeJP NA NA +MJ039634 Aluminium sulfate Al2O12S3 341.818264 NA MeJP NA NA +C13086 Propagermanium C6H10Ge2O7 341.885 NA KEGG NA NA +C13087 Transferred to D01627 C6H10Ge2O7 341.885 NA KEGG NA NA +C13088 Transferred to D01628 C6H10Ge2O7 341.885 NA KEGG NA NA +MJ039635 Propagermanium C6H10Ge2O7 341.885009 NA MeJP NA NA +MJ039636 2,4'-Dibromo-6-hydroxydiphenyl ether C12H8Br2O2 341.889104 NA MeJP NA NA +MJ039637 Pantopyranoid A C10H16Br2O3 341.946619 NA MeJP NA NA +MJ039638 6,7-Dichloro-2,3-dihydro-5-(2-thienylcarbonyl)-2-benzofurancarboxylic acid C14H8Cl2O4S 341.952034 NA MeJP NA NA +MJ039639 Carbofenotion C11H16ClO2PS3 341.973856 NA MeJP NA NA +MJ039640 8-Bromo-4,7-dichloro-3,7-dimethyl-3,5-octadien-1-ol, Ac C12H17BrCl2O2 341.978897 NA MeJP NA NA +MJ039641 Benzenehexacarboxylic acid C12H6O12 341.985925 NA MeJP NA NA +MJ039642 Maneonenes C15H16BrClO2 342.00222 NA MeJP NA NA +MJ039643 Ranelic acid C12H10N2O8S 342.015785 NA MeJP NA NA +MJ039644 5-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-4-(2-imidazolyl)-1,2,3-trithiane C13H14N2O3S3 342.016654 NA MeJP NA NA +MJ039645 Tilomisole C17H11ClN2O2S 342.022976 NA MeJP NA NA +MetaCyc03024 bis(p-nitrophenyl) phosphate [BNPP;di-p-nitrophenyl phosphate;bis(4-nitrophenyl) phosphate;] C12H11N2O8P1 342.025302 NA metacyc NA NA +C16634 5-Fluorouridine monophosphate C9H12FN2O9P 342.0264 NA KEGG NA NA +MJ039646 3-[[5-Deoxy-5-(dimethylarsinoyl)ribofuranosyl]oxy]-2-hydroxypropanoic acid; (2R)-?-D-form C10H19AsO8 342.029589 NA MeJP NA NA +MJ039647 3-[[5-Deoxy-5-(dimethylarsinoyl)ribofuranosyl]oxy]-2-hydroxypropanoic acid; (2S)-?-D-form C10H19AsO8 342.029589 NA MeJP NA NA +MJ039648 Becliconazole C18H12Cl2N2O 342.032668 NA MeJP NA NA +MJ039649 Clathramide A; N-De-Me C12H15BrN4O3 342.032753 NA MeJP NA NA +CJneg0542 Xanthosine [(M-H)+(NaCl)]- C10H11ClN4NaO6 342.034825 C18rt(min)=4.27 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0542 Xanthosine [(M-H)+(NaCl)]- C10H11ClN4NaO6 342.034825 C18rt(min)=4.27 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ039650 Ellagic acid; 2,3-Methylene, 7,8-di-Me ether C17H10O8 342.037567 NA MeJP NA NA +MJ039651 Scapaniapyrone A C17H10O8 342.037567 NA MeJP NA NA +MJ039652 Khellactone, 9-O-Sulfate C14H14O8S 342.040938 NA MeJP NA NA +MJ039653 Rutaretin, 1'-O-Sulfate C14H14O8S 342.040938 NA MeJP NA NA +MJ039654 Triazolam C17H12Cl2N4 342.043901 NA MeJP NA NA +C14432 Thiophanate-methyl C12H14N4O4S2 342.0456 NA KEGG NA NA +MJ039655 Thiostreptoic acid C12H14N4O4S2 342.045646 NA MeJP NA NA +MJ039656 13-Chloro-1,10:2,3-diepoxy-11-hydroxy-4-germacrene-12,8:15,6-diolide C15H15ClO7 342.05063 NA MeJP NA NA +C16805 Coumachlor C19H15ClO4 342.0659 NA KEGG NA NA +MJ039657 Etizolam C17H15ClN4S 342.070594 NA MeJP NA NA +FL3F9CNS0001 2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one C18H14O7 342.07395 220841-90-7 knapsack NA NA +FL3FAANS0002 Apigenin 7-lactate C18H14O7 342.07395 126462-89-3 knapsack NA NA +FL5FDCNS0004 5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone C18H14O7 342.07395 93655-95-9 knapsack NA NA +FL5FF9NS0012 8-Hydroxygalangin 7-methyl ether 8-acetate C18H14O7 342.07395 69312-51-2 knapsack NA NA +FL63ACNC0001 Phyllocoumarin C18H14O7 342.07395 124902-13-2 knapsack NA NA +FLIA2LNS0001 6-Hydroxy-7,2'-dimethoxy-4',5'-methylenedioxyisoflavone C18H14O7 342.07395 51986-37-9 knapsack NA NA +FLIA2LNS0002 Dalpatein C18H14O7 342.07395 40009-88-9 knapsack NA NA +FLIA3LNS0002 Maximaisoflavone F;7-Hydroxy-8,2'-dimethoxy-4',5'-methylenedioxyisoflavonel C18H14O7 342.07395 94413-11-3 knapsack NA NA +FLIAE9NS0001 Isoiriskashmirianin;3'-Hydroxy-5,5'-dimethoxy-6,7-methylenedioxyisoflavone C18H14O7 342.07395 128700-91-4 knapsack NA NA +FLIAECNS0003 Dipteryxine;Isoplatycarpanetin;7-Hydroxy-5,6-dimethoxy-3',4'-methylenedioxyisoflavone C18H14O7 342.07395 68862-19-1 knapsack NA NA +FLIAECNS0004 Iriskumaonin;3'-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyisoflavone C18H14O7 342.07395 69618-04-8 knapsack NA NA +FLIAECNS0012 Squarrosin;5-Hydroxy-3',4'-dimethoxy-6,7-methylenedioxyisoflavone C18H14O7 342.07395 126419-15-6 knapsack NA NA +FLIAECNS0013 Iriskashmirianin;4'-Hydroxy-5,3'-dimethoxy-6,7-methylenedioxyisoflavone C18H14O7 342.07395 128700-90-3 knapsack NA NA +FLIAFCNS0002 Platycarpanetin C18H14O7 342.07395 53505-60-5 knapsack NA NA +FLIDWXNS0009 Leiocalycin;2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxypterocarpene C18H14O7 342.07395 35930-38-2 knapsack NA NA +FLNAALNM0001 Sisafolin;5,4'-Dihydroxy-7,2'-dimethoxy-6-formyl-4-phenylcoumarin C18H14O7 342.07395 53290-13-2 knapsack NA NA +FLNABENM0001 7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin C18H14O7 342.07395 91377-14-9 knapsack NA NA +MJ039658 1,2,3,5,8-Pentahydroxy-6-methylanthraquinone; 3,5-Di-Me, 1,2-methylene ether C18H14O7 342.073952 NA MeJP NA NA +MJ039659 1,2,3,6,7-Pentahydroxyanthraquinone; 1,2,3-Tri-Me ether, 6,7-methylene ether C18H14O7 342.073952 NA MeJP NA NA +MJ039660 1,2,3,8,9-Pentahydroxypterocarpene; 1,3-Di-Me, 8,9-methylene ether C18H14O7 342.073952 NA MeJP NA NA +MJ039661 1,3,8,9-Tetrahydroxycoumestan; 1,3,8-Tri-Me ether C18H14O7 342.073952 NA MeJP NA NA +MJ039662 1,3,8-Trihydroxy-6-hydroxymethylanthraquinone; 3-Me ether, 1'-Ac C18H14O7 342.073952 NA MeJP NA NA +MJ039663 1,6,8-Trihydroxy-3-methylanthraquinone-2-carboxylic acid; 6,8-Di-Me ether C18H14O7 342.073952 NA MeJP NA NA +MJ039664 1,6,8-Trihydroxy-3-propylanthraquinone-2-carboxylic acid C18H14O7 342.073952 NA MeJP NA NA +MJ039665 2',4',5',6,7-Pentahydroxyisoflavone; 4',5'-Methylene, 2',6-di-Me ether C18H14O7 342.073952 NA MeJP NA NA +MJ039666 2',4',5',6,7-Pentahydroxyisoflavone; 4',5'-Methylene, 2',7-di-Me ether C18H14O7 342.073952 NA MeJP NA NA +MJ039667 2',4',5',7,8-Pentahydroxyisoflavone; 2',8-Di-Me, 4',5'-methylene ether C18H14O7 342.073952 NA MeJP NA NA +MJ039668 2-[(3-Acetyl-4,5,7-trihydroxy-2-naphthalenyl)methyl]-6-hydroxy-4H-pyran-4-one C18H14O7 342.073952 NA MeJP NA NA +MJ039669 3',4',5',6,7-Pentahydroxyisoflavone; 3',5'-Di-Me, 6,7-methylene ether C18H14O7 342.073952 NA MeJP NA NA +MJ039670 3',4',5,5',7-Pentahydroxyisoflavone; 3',7-Di-Me, 4',5'-methylene ether C18H14O7 342.073952 NA MeJP NA NA +MJ039671 3',4',5,6,7-Pentahydroxyisoflavone; 3',4'-Di-Me, 6,7-methylene ether C18H14O7 342.073952 NA MeJP NA NA +MJ039672 3',4',5,6,7-Pentahydroxyisoflavone; 3',5-Di-Me, 6,7-methylene ether C18H14O7 342.073952 NA MeJP NA NA +MJ039673 3',4',5,6,7-Pentahydroxyisoflavone; 4',5-Di-Me, 6,7-methylene ether C18H14O7 342.073952 NA MeJP NA NA +MJ039674 3',4',5,6,7-Pentahydroxyisoflavone; 5,6-Di-Me, 3',4'-methylene ether C18H14O7 342.073952 NA MeJP NA NA +MJ039675 3',4',5,6,8-Pentahydroxyflavone; 3',4'-Methylene, 6,8-Di-Me ether C18H14O7 342.073952 NA MeJP NA NA +MJ039676 3',4',5,7,8-Pentahydroxyisoflavone; 3',4'-Methylene, 5,8-di-Me ether C18H14O7 342.073952 NA MeJP NA NA +MJ039677 3',5,5',6,7-Pentahydroxyisoflavone; 5',5-Di-Me, 6,7-methylene ether C18H14O7 342.073952 NA MeJP NA NA +MJ039678 3,4,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; 3-Me ether, Me ester C18H14O7 342.073952 NA MeJP NA NA +MJ039679 3,4,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; 4-Me ether, Me ester C18H14O7 342.073952 NA MeJP NA NA +MJ039680 3,5,7,8-Tetrahydroxyflavone; 7-Me ether, 8-Ac C18H14O7 342.073952 NA MeJP NA NA +MJ039681 3,7,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; 3-Me ether, Me ester C18H14O7 342.073952 NA MeJP NA NA +MJ039682 4',5,7-Trihydroxyflavone; 7-O-(2-Hydroxypropanoyl) C18H14O7 342.073952 NA MeJP NA NA +MJ039683 Boeravinone B; 4-Hydroxy, 9-Me ether C18H14O7 342.073952 NA MeJP NA NA +MJ039684 Isoophiopogonone A; 2'-Hydroxy C18H14O7 342.073952 NA MeJP NA NA +MJ039685 Maoyancaosu C18H14O7 342.073952 NA MeJP NA NA +MJ039686 Megacerotonic acid C18H14O7 342.073952 NA MeJP NA NA +MJ039687 Momofulvenone A C18H14O7 342.073952 NA MeJP NA NA +MJ039688 Ophiopogonone A; 2'-Hydroxy C18H14O7 342.073952 NA MeJP NA NA +MJ039689 Phyllocoumarin C18H14O7 342.073952 NA MeJP NA NA +MJ039690 Rhodocomatulin C18H14O7 342.073952 NA MeJP NA NA +MJ039691 Scillascillin, 2-Hydroxy, 7-Me ether C18H14O7 342.073952 NA MeJP NA NA +MJ039692 Sibiricin A C18H14O7 342.073952 NA MeJP NA NA +MJ039693 Sisafolin C18H14O7 342.073952 NA MeJP NA NA +MJ039694 Voludal C18H14O7 342.073952 NA MeJP NA NA +C03944 Dihydromethylsterigmatocystin C18H14O7 342.074 NA KEGG NA NA +MJ039695 Tryptophan, Na-4-Chlorobenzoyl C18H15ClN2O3 342.07712 NA MeJP NA NA +MJ039696 Laurefucin; 6,7,9,10-Tetraepimer, 10-Me ether C16H23BrO3 342.083057 NA MeJP NA NA +MJ039697 Griseolutein A C17H14N2O6 342.085186 NA MeJP NA NA +MJ039698 Asparenomycin C; 1',2'-Dihydro, S-oxide C14H18N2O6S 342.088557 NA MeJP NA NA +MJ039699 Carpetimycin A C14H18N2O6S 342.088557 NA MeJP NA NA +MJ039700 2,2'-Dimethyl-3,3'-bi-1,4-naphthoquinone C22H14O4 342.089208 NA MeJP NA NA +MJ039701 5,5-Dimethyl-4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone C19H18O4S 342.092579 NA MeJP NA NA +MJ039702 Flutoprazepam C19H16ClFN2O 342.093519 NA MeJP NA NA +MJ039703 1-O-p-Coumaroylglucose; ?-D-form, 3'-Hydroxy C15H18O9 342.095082 NA MeJP NA NA +MJ039704 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 4'-O-?-D-Glucopyranoside C15H18O9 342.095082 NA MeJP NA NA +MJ039705 5,7-Dihydroxy-1(3H)-isobenzofuranone; 5-Me ether, 7-O-?-D-glucopyranoside C15H18O9 342.095082 NA MeJP NA NA +MJ039706 Chaenorrhinoside C15H18O9 342.095082 NA MeJP NA NA +MJ039707 Conocarpic acid C15H18O9 342.095082 NA MeJP NA NA +MJ039708 Lespedezic acid C15H18O9 342.095082 NA MeJP NA NA +C10431 Caffeic acid 3-glucoside C15H18O9 342.0951 NA KEGG NA NA +C10433 1-Caffeoyl-beta-D-glucose C15H18O9 342.0951 NA KEGG NA NA +MJ039709 Caulersin C21H14N2O3 342.100442 NA MeJP NA NA +C01121 Streptidine 6-phosphate C8H19N6O7P 342.1053 NA KEGG NA NA +C01122 cis-2,3-Dehydroacyl-CoA C24H37N7O17P3SR 342.1053 NA KEGG NA NA +C14472 4',5,6,7-Tetramethoxyflavone C19H18O6 342.1103 NA KEGG NA NA +C15076 3-(4-Methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one C19H18O6 342.1103 NA KEGG NA NA +FL1ADFNS0001 4,6,3',4'-Tetramethoxyaurone;Rengasin trimethyl ether C19H18O6 342.11033 23053-69-2 knapsack NA NA +FL1C1ANI0022 3'-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone C19H18O6 342.11033 - knapsack NA NA +FL1CDCNS0002 3,4-Methylenedioxy-2',4',6'-trimethoxychalcone C19H18O6 342.11033 151703-88-7 knapsack NA NA +FL1CHYNM0003 Tinosporinone C19H18O6 342.11033 87247-97-0 knapsack NA NA +FL3F1LNS0001 7,2',4',5'-Tetramethoxyflavone C19H18O6 342.11033 159119-06-9 knapsack NA NA +FL3F98NS0012 Zapotin;2-(2,6-Dimethoxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one C19H18O6 342.11033 14813-19-5 knapsack NA NA +FL3F99NS0009 Cerrosillin;5,6,3',5'-tetramethoxyflavone;2-(3,5-Dimethoxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one C19H18O6 342.11033 17182-56-8 knapsack NA NA +FL3FA8NS0009 5,7,2',5'-tetramethoxyflavone;2-(2,5-Dimethoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one C19H18O6 342.11033 84757-35-7 knapsack NA NA +FL3FAFNM0001 5,7-Dihydroxy-3',4'-dimethoxy-6,8-dimethylflavone C19H18O6 342.11033 93290-61-0 knapsack NA NA +FL3FALNS0005 Norartocarpetin 5,7,2',4'-tetramethyl ether C19H18O6 342.11033 72357-29-0 knapsack NA NA +FL3FDFNS0001 Luteolin 5,7,3',4'-tetramethyl ether C19H18O6 342.11033 855-97-0 knapsack NA NA +FL3FEANS0009 Scutellarein 5,6,7,4'-tetramethyl ether;5,6,7,4'-Tetramethoxyflavone;5,6,7-Trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one;Tetramethylscutellarein C19H18O6 342.11033 1168-42-9 knapsack NA NA +FL3FFANS0009 4',5,7,8-Tetramethoxyflavone;6-Demethoxytangeretin;6-Demethoxytangeritin;Tetra-O-methylisoscutellarein;5,7,8-Trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C19H18O6 342.11033 6601-66-7 knapsack NA NA +FL3FG9NS0004 5,6,7,8-Tetramethoxyflavone;5,6,7,8-Tetramethoxy-2-phenyl-4H-1-benzopyran-4-one;5,6,7,8-Tetramethoxy-2-phenyl-4H-1-benzopyran-4-one C19H18O6 342.11033 3162-43-4 knapsack NA NA +FL5F1CNS0006 Fisetin tetramethyl ether C19H18O6 342.11033 17093-86-6 knapsack NA NA +FL5FDANM0003 6,8-Di-C-methylkaempferol 3,7-dimethyl ether C19H18O6 342.11033 125206-12-4 knapsack NA NA +FL5FDBNM0001 8-Desmethylkalmiatin C19H18O6 342.11033 70059-34-6 knapsack NA NA +FL5FDBNS0003 3,5,7,4'-Tetramethoxyflavone;O-Tetramethylkaempferol;Tetramethylkaempferol;2-(4-Methoxyphenyl)-3,5,7-trimethoxy-4-oxo-4H-1-benzopyran;3,5,7-Trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C19H18O6 342.11033 16692-52-7 knapsack NA NA +FL5FE9NS0009 3,5,6,7-Tetramethoxyflavone;3,5,6,7-Tetramethoxy-2-phenyl-4H-1-benzopyran-4-one C19H18O6 342.11033 75413-07-9 knapsack NA NA +FL5FF9NS0011 3,5,7,8-Tetramethoxyflavone C19H18O6 342.11033 103450-99-3 knapsack NA NA +FLIA1LNS0011 7,2',4',5'-Tetramethoxyisoflavone C19H18O6 342.11033 05/02/4253 knapsack NA NA +FLIA2CNS0006 6,7,3',4'-Tetramethoxyisoflavone C19H18O6 342.11033 24126-93-0 knapsack NA NA +FLIDWXNS0008 Bryacarpene 3;3,8,9,10-Tetramethoxypterocarpene C19H18O6 342.11033 55306-17-7 knapsack NA NA +FLIF1LNS0001 Munduserone C19H18O6 342.11033 3564-85-0 knapsack NA NA +MJ039710 1,2,3,5-Tetrahydroxy-4-prenylxanthone; 2-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039711 1,2-Dihydro-5,9,10-trihydroxy-1,1,2-trimethyl-6H-furo[2,3-c]xanthen-6-one, 10-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039712 1,3,5,6-Tetrahydroxy-2-prenylxanthone; 5-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039713 1,3,5,6-Tetrahydroxy-2-prenylxanthone; 6-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039714 1,3,5,6-Tetrahydroxy-4-prenylxanthone; 3-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039715 1,3,5,6-Tetrahydroxy-4-prenylxanthone; 5-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039716 1,3,5,8-Tetrahydroxy-2-prenylxanthone; 3-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039717 1,3,6,7-Tetrahydroxy-5-prenylxanthone; 7-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039718 1,3,8-Trihydroxy-6-(2-hydroxypentyl)anthraquinone C19H18O6 342.110338 NA MeJP NA NA +MJ039719 1,3,8-Trihydroxy-6-methylxanthone; 3-O-(3-Hydroxymethyl-2-butenyl)(E-) C19H18O6 342.110338 NA MeJP NA NA +MJ039720 1,4,5,6-Tetrahydroxy-7-prenylxanthone; 5-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039721 15,16-Epoxy-19-nor-4,6,13(16),14-clerodatetraene-18,6:20,12-diolide, 2?-Hydroxy C19H18O6 342.110338 NA MeJP NA NA +MJ039722 2',4',5',7-Tetrahydroxyflavone; Tetra-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039723 2',4',5',7-Tetrahydroxyisoflavone; Tetra-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039724 2',4',5,7-Tetrahydroxyflavone; Tetra-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039725 2',4',5,7-Tetrahydroxyisoflavone; Tetra-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039726 2',5,6,6'-Tetrahydroxyflavone; Tetra-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039727 2,3,4,8-Tetrahydroxy-1-prenylxanthone; 2-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039728 2,3,6,8-Tetrahydroxy-1-prenylxanthone; 2-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039729 3',4',5,6-Tetrahydroxyflavone; Tetra-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039730 3',4',5,7-Tetrahydroxy-6,8-dimethylflavone; 3',4'-Di-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039731 3',4',5,7-Tetramethoxyflavone C19H18O6 342.110338 NA MeJP NA NA +MJ039732 3',4',6,7-Tetrahydroxyisoflavone; Tetra-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039733 3',4,4',6-Tetrahydroxyaurone; Tetra-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039734 3',5,5',6-Tetrahydroxyflavone; Tetra-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039735 3,3',4',7-Tetrahydroxyflavone; Tetra-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039736 3,4',5,7-Tetrahydroxy-6,8-dimethylflavone; 3,7-Di-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039737 3,4',5,7-Tetrahydroxy-6-methylflavone; 3,4',7-Tri-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039738 3,4',5,7-Tetramethoxyflavone C19H18O6 342.110338 NA MeJP NA NA +MJ039739 3,5,6,7-Tetrahydroxyflavone; Tetra-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039740 3,5,7,8-Tetrahydroxyflavone; Tetra-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039741 3,5,7-Trihydroxyflavanone, 3-O-(2-Methylpropanoyl) C19H18O6 342.110338 NA MeJP NA NA +MJ039742 4',5,6,7-Tetrahydroxyflavone; Tetra-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039743 4',5,7,8-Tetrahydroxyflavone; Tetra-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039744 4',5,7,8-Tetrahydroxyisoflavone; Tetra-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039745 4',5,7-Trihydroxyflavanone, 5,7-Di-Me ether, 4'-Ac C19H18O6 342.110338 NA MeJP NA NA +MJ039746 4-(1,1-Dimethyl-2-propenyl)-1,2,5,8-tetrahydroxyxanthone; 1-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039747 4-(1,1-Dimethyl-2-propenyl)-1,3,5,6-tetrahydroxyxanthone; 3-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039748 5,6,7,8-Tetrahydroxyflavone; Tetra-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039749 5,7,8-Trihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one; Tetra-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039750 8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 15-Aldehyde, 8-(methylpropenoyl) C19H18O6 342.110338 NA MeJP NA NA +MJ039751 Atrovenetin C19H18O6 342.110338 NA MeJP NA NA +MJ039752 Cudraniaxanthone C19H18O6 342.110338 NA MeJP NA NA +MJ039753 Egonol; 1''-Hydroxy C19H18O6 342.110338 NA MeJP NA NA +MJ039754 Elmycin B C19H18O6 342.110338 NA MeJP NA NA +MJ039755 Excavatin D, 2',3'-Epoxide, ?7',9'-isomer C19H18O6 342.110338 NA MeJP NA NA +MJ039756 Excavatin D, 2'?-Hydroxy, ?3',10'-isomer C19H18O6 342.110338 NA MeJP NA NA +MJ039757 Excavatin D, 2'?-Hydroxy, ?3',10'-isomer C19H18O6 342.110338 NA MeJP NA NA +MJ039758 Excavatin D, 4'?-Hydroxy C19H18O6 342.110338 NA MeJP NA NA +MJ039759 Excavatin D, 8-Hydroxy, ?7',9'-isomer C19H18O6 342.110338 NA MeJP NA NA +MJ039760 Excavatin D, 2'?,3'?-Epoxide C19H18O6 342.110338 NA MeJP NA NA +MJ039761 Excavatin D, 9'-Hydroxy C19H18O6 342.110338 NA MeJP NA NA +MJ039762 Herpetol; 3-O-De-Me C19H18O6 342.110338 NA MeJP NA NA +MJ039763 Khellactone, 10-Ketone, 9-tigloyl C19H18O6 342.110338 NA MeJP NA NA +MJ039764 Methylophiopogonone A; 2,3-Dihydro C19H18O6 342.110338 NA MeJP NA NA +MJ039765 Methylophiopogonone B; 2,3-Dihydro, 1''-oxo C19H18O6 342.110338 NA MeJP NA NA +MJ039766 Munduserone C19H18O6 342.110338 NA MeJP NA NA +MJ039767 Piperitol, O-De-Me C19H18O6 342.110338 NA MeJP NA NA +MJ039768 Pseudobruceol I C19H18O6 342.110338 NA MeJP NA NA +MJ039769 Scriblitifolic acid C19H18O6 342.110338 NA MeJP NA NA +MJ039770 Symphoxanthone; 1-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039771 Tinosporinone C19H18O6 342.110338 NA MeJP NA NA +MJ039772 Toxyloxanthone C; 4-Me ether C19H18O6 342.110338 NA MeJP NA NA +MJ039773 Turgeniifolin A C19H18O6 342.110338 NA MeJP NA NA +MJ039774 Xylonic acid, 2,4:3,5-Di-O-benzylidene C19H18O6 342.110338 NA MeJP NA NA +MJ039775 Topsentin A; 7-Hydroxy C20H14N4O2 342.111675 NA MeJP NA NA +MJ039776 Grosulfeimin C16H22O6S 342.113709 NA MeJP NA NA +MJ039777 Sulferalin C16H22O6S 342.113709 NA MeJP NA NA +MJ039778 N-(2-Cyanoethyl)-2-(1,1-dimethylethyl)-6-nitro-4-quinolinecarbothioamide C17H18N4O2S 342.115046 NA MeJP NA NA +C00089 Sucrose C12H22O11 342.1162 NA KEGG NA NA +C00185 Cellobiose C12H22O11 342.1162 NA KEGG NA NA +C00208 Maltose C12H22O11 342.1162 NA KEGG NA NA +C00243 Lactose C12H22O11 342.1162 NA KEGG NA NA +C00252 Isomaltose C12H22O11 342.1162 NA KEGG NA NA +C00897 alpha-Maltose C12H22O11 342.1162 NA KEGG NA NA +C01083 alpha,alpha-Trehalose C12H22O11 342.1162 NA KEGG NA NA +C01086 (3R)-3-Hydroxyacyl-CoA C24H39N7O18P3SR 342.1162 NA KEGG NA NA +C01235 alpha-D-Galactosyl-(1->3)-1D-myo-inositol C12H22O11 342.1162 NA KEGG NA NA +C01518 Nigerose C12H22O11 342.1162 NA KEGG NA NA +C01520 Pachyman C12H22O11 342.1162 NA KEGG NA NA +C01522 Pre-tRNA C12H22O11 342.1162 NA KEGG NA NA +C01711 Inulobiose C12H22O11 342.1162 NA KEGG NA NA +C01725 Levanbiose C12H22O11 342.1162 NA KEGG NA NA +C01728 Mannobiose C12H22O11 342.1162 NA KEGG NA NA +C01742 Palatinose C12H22O11 342.1162 NA KEGG NA NA +C01970 beta-Lactose C12H22O11 342.1162 NA KEGG NA NA +C01971 beta-Maltose C12H22O11 342.1162 NA KEGG NA NA +C01972 m7G(5')pppAm C27H40N10O23P4R 342.1162 NA KEGG NA NA +C01973 m7G(5')pppAn C27H40N10O23P4R 342.1162 NA KEGG NA NA +C01974 m7G(5')pppGn C27H40N10O23P4R 342.1162 NA KEGG NA NA +C01977 tRNA guanine C10H14N5O8P 342.1162 NA KEGG NA NA +C01978 tRNA queuine C17H24N5O10P 342.1162 NA KEGG NA NA +C02048 Laminaribiose C12H22O11 342.1162 NA KEGG NA NA +C02049 Limit dextrin C12H22O11 342.1162 NA KEGG NA NA +C02964 D-Glucosyl-D-mannose C12H22O11 342.1162 NA KEGG NA NA +C03857 D-Fructosyl-D-fructofuranose C12H22O11 342.1162 NA KEGG NA NA +C04147 alpha-D-Glucosyl-(1,3)-D-mannose C12H22O11 342.1162 NA KEGG NA NA +C04219 alpha-D-Aldosyl beta-D-fructoside C12H22O11 342.1162 NA KEGG NA NA +C05400 Epimelibiose C12H22O11 342.1162 NA KEGG NA NA +C05402 Melibiose C12H22O11 342.1162 NA KEGG NA NA +C06373 beta-D-Gal-(1->4)-D-Glc C12H22O11 342.1162 NA KEGG NA NA +C06374 Phthalylamide C8H6NO3R 342.1162 NA KEGG NA NA +C06375 Substituted amine NH2R 342.1162 NA KEGG NA NA +C06421 alpha-Cellobiose C12H22O11 342.1162 NA KEGG NA NA +C06422 beta-Cellobiose C12H22O11 342.1162 NA KEGG NA NA +C07064 Lactulose C12H22O11 342.1162 NA KEGG NA NA +C08240 Gentiobiose C12H22O11 342.1162 NA KEGG NA NA +C08250 2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose C12H22O11 342.1162 NA KEGG NA NA +C15548 2-alpha-D-Glucosyl-D-glucose C12H22O11 342.1162 NA KEGG NA NA +C18068 beta-D-Fructofuranosyl-alpha-D-mannopyranoside C12H22O11 342.1162 NA KEGG NA NA +HMDB00048 Melibiose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00048 PFEM_hmdb_metabocards_urine NA urine +HMDB00258 Sucrose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00258 PFEM_hmdb_metabocards_urine NA urine +HMDB00163 D-Maltose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00163 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00258 Sucrose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00258 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00740 Lactulose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00740 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00048 Melibiose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00048 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00258 Sucrose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00258 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00048 Melibiose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00048 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00258 Sucrose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00258 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00048 Melibiose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00048 HMDB NA NA +HMDB00055 Cellobiose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00055 HMDB NA NA +HMDB00163 D-Maltose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00163 HMDB NA NA +HMDB00186 alpha-Lactose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00186 HMDB NA NA +HMDB00258 Sucrose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00258 HMDB NA NA +HMDB00740 Lactulose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00740 HMDB NA NA +HMDB00975 Trehalose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00975 HMDB NA NA +HMDB02923 Isomaltose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB02923 HMDB NA NA +HMDB05826 Galactinol C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB05826 HMDB NA NA +HMDB06603 3-beta-Galactopyranosyl glucose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB06603 HMDB NA NA +HMDB06792 Epimelibiose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB06792 HMDB NA NA +HMDB00163 D-Maltose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00163 PFEM_hmdb_metabocards_blood NA blood +HMDB00258 Sucrose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00258 PFEM_hmdb_metabocards_blood NA blood +HMDB00740 Lactulose C12H22O11 342.11621 http://www.hmdb.ca/metabolites/HMDB00740 PFEM_hmdb_metabocards_blood NA blood +HMDB00048 Melibiose C12H22O11 342.11621 HMDB00048 PFEM_hmdb_metabocards_official NA NA +HMDB00055 Cellobiose C12H22O11 342.11621 HMDB00055 PFEM_hmdb_metabocards_official NA NA +HMDB00163 D-Maltose C12H22O11 342.11621 HMDB00163 PFEM_hmdb_metabocards_official NA NA +HMDB00186 alpha-Lactose C12H22O11 342.11621 HMDB00186 PFEM_hmdb_metabocards_official NA NA +HMDB00258 Sucrose C12H22O11 342.11621 HMDB00258 PFEM_hmdb_metabocards_official NA NA +HMDB00740 Lactulose C12H22O11 342.11621 HMDB00740 PFEM_hmdb_metabocards_official NA NA +HMDB00975 Trehalose C12H22O11 342.11621 HMDB00975 PFEM_hmdb_metabocards_official NA NA +HMDB02923 Isomaltose C12H22O11 342.11621 HMDB02923 PFEM_hmdb_metabocards_official NA NA +HMDB05826 Galactinol C12H22O11 342.11621 HMDB05826 PFEM_hmdb_metabocards_official NA NA +HMDB06603 3-beta-Galactopyranosyl glucose C12H22O11 342.11621 HMDB06603 PFEM_hmdb_metabocards_official NA NA +HMDB06792 Epimelibiose C12H22O11 342.11621 HMDB06792 PFEM_hmdb_metabocards_official NA NA +HMDB00048 Melibiose C12H22O11 342.116211 NA HMDB2010 NA NA +HMDB00055 Cellobiose C12H22O11 342.116211 NA HMDB2010 NA NA +HMDB00163 D-Maltose C12H22O11 342.116211 NA HMDB2010 NA NA +HMDB00186 Alpha-Lactose C12H22O11 342.116211 NA HMDB2010 NA NA +HMDB00258 Sucrose C12H22O11 342.116211 NA HMDB2010 NA NA +HMDB00740 Lactulose C12H22O11 342.116211 NA HMDB2010 NA NA +HMDB00975 Trehalose C12H22O11 342.116211 NA HMDB2010 NA NA +HMDB02923 Isomaltose C12H22O11 342.116211 NA HMDB2010 NA NA +HMDB05826 Galactinol C12H22O11 342.116211 NA HMDB2010 NA NA +HMDB06603 3-b-Galactopyranosyl glucose C12H22O11 342.116211 NA HMDB2010 NA NA +HMDB06792 Epimelibiose C12H22O11 342.116211 NA HMDB2010 NA NA +HMDB11740 Turanose C12H22O11 342.116211 NA HMDB2010 NA NA +HMDB11742 Kojibiose C12H22O11 342.116211 NA HMDB2010 NA NA +MJ039779 alpha,alpha-Trehalose C12H22O11 342.116211 NA MeJP NA NA +MJ039780 1-alpha-D-Galactosyl-myo-inositol C12H22O11 342.116211 NA MeJP NA NA +MJ039781 Cellobiose C12H22O11 342.116211 NA MeJP NA NA +MJ039782 Epimelibiose C12H22O11 342.116211 NA MeJP NA NA +MJ039783 Isomaltose C12H22O11 342.116211 NA MeJP NA NA +MJ039784 Lactose C12H22O11 342.116211 NA MeJP NA NA +MJ039785 Maltose C12H22O11 342.116211 NA MeJP NA NA +MJ039786 Melibiose C12H22O11 342.116211 NA MeJP NA NA +MJ039787 Sucrose C12H22O11 342.116211 NA MeJP NA NA +MJ039788 1-O-?-D-Glucopyranosyl-D-fructose C12H22O11 342.116211 NA MeJP NA NA +MJ039789 2-O-?-D-Galactofuranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039790 2-O-?-D-Galactofuranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039791 2-O-?-D-Glucopyranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039792 2-O-?-D-Glucopyranosyl-D-glucose C12H22O11 342.116211 NA MeJP NA NA +MJ039793 2-O-?-D-Mannopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039794 2-O-?-D-Galactopyranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039795 2-O-?-D-Galactopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039796 2-O-?-D-Glucopyranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039797 2-O-?-D-Glucopyranosyl-D-glucose C12H22O11 342.116211 NA MeJP NA NA +MJ039798 2-O-?-D-Glucopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039799 2-O-?-D-Mannopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039800 2-O-?-D-Mannopyranosyl-L-gulose C12H22O11 342.116211 NA MeJP NA NA +MJ039801 2-O-?-D-Mannopyranosyl-myo-inositol C12H22O11 342.116211 NA MeJP NA NA +MJ039802 3-O-?-D-Galactofuranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039803 3-O-?-D-Galactofuranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039804 3-O-?-D-Galactopyranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039805 3-O-?-D-Glucopyranosyl-D-fructose C12H22O11 342.116211 NA MeJP NA NA +MJ039806 3-O-?-D-Glucopyranosyl-D-galactopyranose C12H22O11 342.116211 NA MeJP NA NA +MJ039807 3-O-?-D-Glucopyranosyl-D-glucose C12H22O11 342.116211 NA MeJP NA NA +MJ039808 3-O-?-D-Glucopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039809 3-O-?-D-Mannopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039810 3-O-?-D-Galactopyranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039811 3-O-?-D-Glucopyranosyl-D-glucose C12H22O11 342.116211 NA MeJP NA NA +MJ039812 3-O-?-D-Glucopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039813 3-O-?-D-Mannopyranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039814 3-O-?-D-Mannopyranosyl-D-glucose C12H22O11 342.116211 NA MeJP NA NA +MJ039815 3-O-?-D-Mannopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039816 4-O-?-D-Galactopyranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039817 4-O-?-D-Galactopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039818 4-O-?-D-Glucopyranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039819 4-O-?-D-Glucopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039820 4-O-?-D-Mannopyranosyl-D-glucose C12H22O11 342.116211 NA MeJP NA NA +MJ039821 4-O-?-D-Mannopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039822 4-O-?-D-Mannopyranosyl-L-gulose C12H22O11 342.116211 NA MeJP NA NA +MJ039823 4-O-?-D-Psicofuranosylglucose C12H22O11 342.116211 NA MeJP NA NA +MJ039824 4-O-?-D-Galactopyranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039825 4-O-?-D-Glucopyranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039826 4-O-?-D-Mannopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039827 5-O-?-D-Galactofuranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039828 5-O-?-D-Galactofuranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039829 5-O-?-D-Glucopyranosyl-D-fructose C12H22O11 342.116211 NA MeJP NA NA +MJ039830 6-O-?-D-Fructofuranosyl-D-fructose C12H22O11 342.116211 NA MeJP NA NA +MJ039831 6-O-?-D-Galactofuranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039832 6-O-?-D-Galactofuranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039833 6-O-?-D-Galactopyranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039834 6-O-?-D-Galactopyranosyl-D-glucose C12H22O11 342.116211 NA MeJP NA NA +MJ039835 6-O-?-D-Galactopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039836 6-O-?-D-Glucopyranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039837 6-O-?-D-Glucopyranosyl-D-glucose C12H22O11 342.116211 NA MeJP NA NA +MJ039838 6-O-?-D-Glucopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039839 6-O-?-D-Mannopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039840 6-O-?-D-Galactopyranosyl-D-galactose C12H22O11 342.116211 NA MeJP NA NA +MJ039841 6-O-?-D-Galactopyranosyl-D-glucose C12H22O11 342.116211 NA MeJP NA NA +MJ039842 6-O-?-D-Galactopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039843 6-O-?-D-Glucopyranosyl-D-fructofuranose C12H22O11 342.116211 NA MeJP NA NA +MJ039844 6-O-?-D-Glucopyranosyl-D-glucose C12H22O11 342.116211 NA MeJP NA NA +MJ039845 6-O-?-D-Glucopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039846 6-O-?-D-Mannopyranosyl-D-mannose C12H22O11 342.116211 NA MeJP NA NA +MJ039847 Cellobiose C12H22O11 342.116211 NA MeJP NA NA +MJ039848 Galactinol C12H22O11 342.116211 NA MeJP NA NA +MJ039849 Inulobiose C12H22O11 342.116211 NA MeJP NA NA +MJ039850 Lactose C12H22O11 342.116211 NA MeJP NA NA +MJ039851 Lactulose C12H22O11 342.116211 NA MeJP NA NA +MJ039852 Maltose C12H22O11 342.116211 NA MeJP NA NA +MJ039853 Maltulose C12H22O11 342.116211 NA MeJP NA NA +MJ039854 Sucrose C12H22O11 342.116211 NA MeJP NA NA +MJ039855 Turanose C12H22O11 342.116211 NA MeJP NA NA +MJ039856 chiro-Inositol, 2-O-?-D-Galactopyranoside C12H22O11 342.116211 NA MeJP NA NA +MJ039857 myo-Inositol; 1-O-?-D-Glucopyranoside C12H22O11 342.116211 NA MeJP NA NA +MJ039858 ?,?-Trehalose C12H22O11 342.116211 NA MeJP NA NA +MJ039859 ?,?-Trehalose C12H22O11 342.116211 NA MeJP NA NA +MJ039860 ?-D-Glucopyranosyl ?-D-sorbopyranoside C12H22O11 342.116211 NA MeJP NA NA +MetaCyc03025 nigerose [α-1,3-glucose disaccharide;] C12H22O11 342.116212 NA metacyc NA NA +MetaCyc03026 inulobiose [] C12H22O11 342.116212 470-58-6 metacyc NA NA +MetaCyc03027 palatinose [6-O-α-D-glucopyranosyl-D-fructofuranose;] C12H22O11 342.116212 13718-94-0 metacyc NA NA +MetaCyc03028 β-kojibiose [] C12H22O11 342.116212 NA metacyc NA NA +MetaCyc03029 α,β-trehalose [] C12H22O11 342.116212 NA metacyc NA NA +MetaCyc03030 α-kojibiose [2-α-D-glucosyl-D-glucose;α-D-glucopyranosyl-( 1->2)-D-glucopyranose;] C12H22O11 342.116212 NA metacyc NA NA +MetaCyc03031 3-β-D-glucosyl-D-glucose [Laminaribiose;6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl) tetrahydropyran-2-yl]oxy-tetrahydropyran-2,3,5-triol;] C12H22O11 342.116212 NA metacyc NA NA +MetaCyc03032 1-α-D-galactosyl-myo-inositol [1-O-α-D-galactosyl-D-myo-inositol;galactinol;α-D-galactosyl-(1->3)-1D-myo-inositol;] C12H22O11 342.116212 NA metacyc NA NA +MetaCyc03033 trehalose [α,α-trehalose;] C12H22O11 342.116212 99-20-7 metacyc NA NA +MetaCyc03034 sucrose [saccharose;Glc(α1<->2β)Fru;α-D-glucopyranosyl β-D-fructofuranoside;] C12H22O11 342.116212 57-50-1 metacyc NA NA +MetaCyc03035 melibiose [6-O-(α-D-galactopyranosyl)-D-glucopyranose;D-Gal-α1->6D-glucose;D-melibiose;melibiose;6-O-α-D-Galactopyranosyl-D-glucose;6-(α-D-galactosido)-D-glucose;] C12H22O11 342.116212 585-99-9 metacyc NA NA +MetaCyc03036 maltose [β-maltose;maltitol;] C12H22O11 342.116212 69-79-4 metacyc NA NA +MetaCyc03037 lactose [α-lactose;] C12H22O11 342.116212 63-42-3 metacyc NA NA +MetaCyc03038 β-gentiobiose [] C12H22O11 342.116212 554-91-6 metacyc NA NA +MetaCyc03039 D-Glucosyl-D-mannose [] C12H22O11 342.116212 NA metacyc NA NA +MetaCyc03040 isomaltose [Brachiose;] C12H22O11 342.116212 499-40-1 metacyc NA NA +MetaCyc03041 cellobiose [4-β-D-glucopyranosyl-D-glucopyranose;] C12H22O11 342.116212 528-50-7 metacyc NA NA +MetaCyc03042 α-maltose [] C12H22O11 342.116212 NA metacyc NA NA +MetaCyc03043 allolactose [] C12H22O11 342.116212 28447-39-4 metacyc NA NA +CJneg0543 Sucrose (and isomers) [(M-H)]- C12H21O11 342.116725 C18rt(min)=0.95 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0543 Sucrose (and isomers) [(M-H)]- C12H21O11 342.116725 C18rt(min)=0.95 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ039861 Inosine; OH-form, 6-O-[2-Hydroxy-1-(hydroxymethyl)ethyl] C13H18N4O7 342.117548 NA MeJP NA NA +MJ039862 ?-Snyderol; ?4-Isomer, Ac C17H27BrO2 342.119442 NA MeJP NA NA +MJ039863 ?-Snyderol; Ac C17H27BrO2 342.119442 NA MeJP NA NA +MJ039864 Pyridindolol, 15,16-Di-Ac C18H18N2O5 342.121571 NA MeJP NA NA +MJ039865 2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 15-Chloro, 2-Ac C17H23ClO5 342.123401 NA MeJP NA NA +MJ039866 Pallidisetin A C23H18O3 342.125594 NA MeJP NA NA +MJ039867 1-(3,4-Dihydroxyphenyl)-1-propanone; 3-Me ether, 4-O-?-D-glucopyranoside C16H22O8 342.131467 NA MeJP NA NA +MJ039868 3-(2,4-Dihydroxyphenyl)-2-propen-1-ol, 2'-Me ether, 4'-O-?-D-glucopyranoside C16H22O8 342.131467 NA MeJP NA NA +MJ039869 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1-O-?-D-glucopyranoside C16H22O8 342.131467 NA MeJP NA NA +MJ039870 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-O-?-D-glucopyranoside C16H22O8 342.131467 NA MeJP NA NA +MJ039871 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1-O-?-D-glucopyranoside C16H22O8 342.131467 NA MeJP NA NA +MJ039872 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-O-?-D-glucopyranoside C16H22O8 342.131467 NA MeJP NA NA +MJ039873 3-Hydroxy-3-(3,4-dihydroxy-4-methylpentanoyl)-5-(3-methylbutyl)-1,2,4-cyclopentanetrione C16H22O8 342.131467 NA MeJP NA NA +MJ039874 5-(2-Propenyl)-1,2,3-benzenetriol; 2-Me ether, 1-O-?-D-glucopyranoside C16H22O8 342.131467 NA MeJP NA NA +MJ039875 Hyptolide; 1'?,2'?-Epoxide, 3'-O-de-Ac, 5'-epimer C16H22O8 342.131467 NA MeJP NA NA +MJ039876 Macrosphelide A C16H22O8 342.131467 NA MeJP NA NA +MJ039877 Nepetanudoside C C16H22O8 342.131467 NA MeJP NA NA +MJ039878 Nepetaracemoside B C16H22O8 342.131467 NA MeJP NA NA +MJ039879 Serratumin A C16H22O8 342.131467 NA MeJP NA NA +MJ039880 Synargentolide D; 5-Deoxy C16H22O8 342.131467 NA MeJP NA NA +MJ039881 Veranisatin A C16H22O8 342.131467 NA MeJP NA NA +MJ039882 Coniferin C16H22O8 342.131467 NA MeJP NA NA +MetaCyc03044 coniferin [coniferyl alcohol-4-O-β-D-glucopyranoside;] C16H22O8 342.131468 NA metacyc NA NA +C00761 Coniferin C16H22O8 342.1315 NA KEGG NA NA +MetaCyc03045 glucosaminyl-inositol [GlcN-Ins;1-D-myo-inosityl-2-amino-2-deoxy-α-D-glucopyranoside;] C12H24N1O10 342.140021 NA metacyc NA NA +C05229 Phaseollidin hydrate C20H22O5 342.1467 NA KEGG NA NA +C18164 Deoxymiroestrol C20H22O5 342.1467 NA KEGG NA NA +FL2F1ANI0011 Brosimacutin C C20H22O5 342.14672 350221-47-5 knapsack NA NA +MJ039883 1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol C20H22O5 342.146723 NA MeJP NA NA +MJ039884 12,17-Epoxy-17-hydroxystrictic acid, 17-Ketone C20H22O5 342.146723 NA MeJP NA NA +MJ039885 12,17:15,16-Diepoxy-7-oxo-3,8(17),13(16),14-clerodatetraen-18,19-olide, 8?,17-Dihydro C20H22O5 342.146723 NA MeJP NA NA +MJ039886 12,17:15,16:17,20-Triepoxy-3,13(16),14-clerodatrien-18,19-olide C20H22O5 342.146723 NA MeJP NA NA +MJ039887 12-Hydroxy-11,14-dioxo-1(10),8,12-icetexatrien-19,6-olide; 6?-form C20H22O5 342.146723 NA MeJP NA NA +MJ039888 12-Hydroxy-11,14-dioxo-6,8,12-abietatrien-19,20-olide C20H22O5 342.146723 NA MeJP NA NA +MJ039889 14-Hydroxy-11,12-dioxo-6,8,13-icetexatrien-18,10-olide C20H22O5 342.146723 NA MeJP NA NA +MJ039890 15,16-Epoxy-1,13(16),14-clerodatriene-17,12:18,19-diolide C20H22O5 342.146723 NA MeJP NA NA +MJ039891 15,16-Epoxy-2,13(16),14-clerodatriene-17,12:18,19-diolide C20H22O5 342.146723 NA MeJP NA NA +MJ039892 15,16-Epoxy-3,13(16),14-clerodatriene-17,12:18,19-diolide C20H22O5 342.146723 NA MeJP NA NA +MJ039893 15,16-Epoxy-3,13(16),14-clerodatriene-18,19:20,12-diolide C20H22O5 342.146723 NA MeJP NA NA +MJ039894 15,16-Epoxy-6-hydroxy-7-oxo-8,13(16),14-labdatrien-19-oic acid, 3-Oxo, 19?6 lactone C20H22O5 342.146723 NA MeJP NA NA +MJ039895 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-3-methyl-7-(2-propenyl)-1,4-benzodioxin, 3',5-Di-Me ether C20H22O5 342.146723 NA MeJP NA NA +MJ039896 2-Hydroxygarveatin B C20H22O5 342.146723 NA MeJP NA NA +MJ039897 3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 3',4-Di-Me ether C20H22O5 342.146723 NA MeJP NA NA +MJ039898 3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 3',5-Di-Me ether C20H22O5 342.146723 NA MeJP NA NA +MJ039899 3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 3',4-Di-Me ether C20H22O5 342.146723 NA MeJP NA NA +MJ039900 3,20-Epoxy-6,15-dihydroxy-5,16-kauradiene-1,7-dione, 15-Ketone C20H22O5 342.146723 NA MeJP NA NA +MJ039901 3,3',4,4',7-Pentahydroxylignan, 3,4:3',4'-Bis(methylene) ether C20H22O5 342.146723 NA MeJP NA NA +MJ039902 3,3',4,4',7-Pentahydroxylignan, 7-Ketone, 3',4'-methylene, 3-Me ether C20H22O5 342.146723 NA MeJP NA NA +MJ039903 3,3',4,4',7-Pentahydroxylignan, 3,4:3',4'-Bis(methylene) ether C20H22O5 342.146723 NA MeJP NA NA +MJ039904 3,3',4,4'-Tetrahydroxylignan, 7'-Oxo, 3,4-methylene, 3'-Me ether C20H22O5 342.146723 NA MeJP NA NA +MJ039905 3,4:3',4'-Bis(methylenedioxy)lignan, 7R-Hydroxy C20H22O5 342.146723 NA MeJP NA NA +MJ039906 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5-triol, 5'-Methoxy, 5-Me ether C20H22O5 342.146723 NA MeJP NA NA +MJ039907 4-Hydroxy-3-methoxy-3',4'-methylenedioxy-7,7'-epoxylignan C20H22O5 342.146723 NA MeJP NA NA +MJ039908 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, ?7'-Isomer, 10'-hydroxy, 6'-oxo C20H22O5 342.146723 NA MeJP NA NA +MJ039909 6-Allyl-6-[2-(3,4-dihydroxyphenyl)-1-methylethyl]-3,4-dihydroxy-2,4-cyclohexadien-1-one; 3'-Me, 4,5-methylene ether C20H22O5 342.146723 NA MeJP NA NA +MJ039910 7,20:12,20:15,16-Triepoxy-1,13(16),14-clerodatrien-18,19-olide C20H22O5 342.146723 NA MeJP NA NA +MJ039911 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(3,7-Dimethyl-6-oxo-2,7-octadienyl), 8-Me ether C20H22O5 342.146723 NA MeJP NA NA +MJ039912 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(3,7-Dimethyl-8-oxo-2,6-octadienyl)(E,E-) C20H22O5 342.146723 NA MeJP NA NA +MJ039913 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Furancarbonyl) C20H22O5 342.146723 NA MeJP NA NA +MJ039914 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Tigloyl C20H22O5 342.146723 NA MeJP NA NA +MJ039915 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Angeloyl C20H22O5 342.146723 NA MeJP NA NA +MJ039916 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, Angeloyl C20H22O5 342.146723 NA MeJP NA NA +MJ039917 8-Hydroxy-2-oxo-1(10),3,7(11)-guaiatrien-12,6-olide, 8-(3-Methyl-2-butenoyl) C20H22O5 342.146723 NA MeJP NA NA +MJ039918 8-Hydroxy-2-oxo-1(10),3,7(11)-guaiatrien-12,6-olide, Angeloyl C20H22O5 342.146723 NA MeJP NA NA +MJ039919 8-Hydroxy-2-oxo-1(10),3,7(11)-guaiatrien-12,6-olide, 8-(3-Methyl-2-butenoyl) C20H22O5 342.146723 NA MeJP NA NA +MJ039920 8-Hydroxy-2-oxo-1(10),3,7(11)-guaiatrien-12,6-olide, Angeloyl C20H22O5 342.146723 NA MeJP NA NA +MJ039921 8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Methyl-4-oxo-2-butenoyl)(E-) C20H22O5 342.146723 NA MeJP NA NA +MJ039922 8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Methyl-4-oxo-2-butenoyl)(Z-) C20H22O5 342.146723 NA MeJP NA NA +MJ039923 8-Hydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(3-Furancarbonyl) C20H22O5 342.146723 NA MeJP NA NA +MJ039924 8-Hydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(3-Furancarbonyl) C20H22O5 342.146723 NA MeJP NA NA +MJ039925 Angelin C20H22O5 342.146723 NA MeJP NA NA +MJ039926 Antibiotic X 14881B C20H22O5 342.146723 NA MeJP NA NA +MJ039927 Arnottinin; 7-Me ether, 4'-O-angeloyl C20H22O5 342.146723 NA MeJP NA NA +MJ039928 Avicennol C20H22O5 342.146723 NA MeJP NA NA +MJ039929 Ceylantin; 10-O-De-Me, 10-O-(3-methyl-2-butenyl) C20H22O5 342.146723 NA MeJP NA NA +MJ039930 Clarkinol C20H22O5 342.146723 NA MeJP NA NA +MJ039931 Clutiolide C20H22O5 342.146723 NA MeJP NA NA +MJ039932 Cneorumchromene C C20H22O5 342.146723 NA MeJP NA NA +MJ039933 Cneorumchromone K C20H22O5 342.146723 NA MeJP NA NA +MJ039934 Coleon E C20H22O5 342.146723 NA MeJP NA NA +MJ039935 Cordatolide A C20H22O5 342.146723 NA MeJP NA NA +MJ039936 Crotofolin E C20H22O5 342.146723 NA MeJP NA NA +MJ039937 Cycloisobrachycoumarin; 5'-Oxo, 6'?,7'-epoxide C20H22O5 342.146723 NA MeJP NA NA +MJ039938 Demethylcacalohastine; 14-Acetoxy, O-propanoyl C20H22O5 342.146723 NA MeJP NA NA +MJ039939 Ethuliacoumarin A C20H22O5 342.146723 NA MeJP NA NA +MJ039940 Fredericone A C20H22O5 342.146723 NA MeJP NA NA +MJ039941 Frutescin; 1'-(3-Methylbutanoyloxy) C20H22O5 342.146723 NA MeJP NA NA +MJ039942 Galeon, 8?-Hydroxy C20H22O5 342.146723 NA MeJP NA NA +MJ039943 Guianin C20H22O5 342.146723 NA MeJP NA NA +MJ039944 Homoegonol C20H22O5 342.146723 NA MeJP NA NA +MJ039945 Icetexone C20H22O5 342.146723 NA MeJP NA NA +MJ039946 Isochiliolide lactone; 8,17-Didehydro C20H22O5 342.146723 NA MeJP NA NA +MJ039947 Isoethuliacoumarin A C20H22O5 342.146723 NA MeJP NA NA +MJ039948 Isoethuliacoumarin B C20H22O5 342.146723 NA MeJP NA NA +MJ039949 Isoethuliacoumarin C C20H22O5 342.146723 NA MeJP NA NA +MJ039950 Jamesoniellide E; 20-Deoxo, 9,20-didehydro C20H22O5 342.146723 NA MeJP NA NA +MJ039951 Leptosphaerolide C20H22O5 342.146723 NA MeJP NA NA +MJ039952 Leucosykol C20H22O5 342.146723 NA MeJP NA NA +MJ039953 Liliflodione C20H22O5 342.146723 NA MeJP NA NA +MJ039954 Machilin B; 7,8-Dihydro C20H22O5 342.146723 NA MeJP NA NA +MJ039955 Machilusol F C20H22O5 342.146723 NA MeJP NA NA +MJ039956 Millinol, 4''-Hydroxy C20H22O5 342.146723 NA MeJP NA NA +MJ039957 Miroestrol; 14-Deoxy C20H22O5 342.146723 NA MeJP NA NA +MJ039958 Padocin C20H22O5 342.146723 NA MeJP NA NA +MJ039959 Piperulin B; Stereoisomer, O-de-Ac C20H22O5 342.146723 NA MeJP NA NA +MJ039960 Porosin B C20H22O5 342.146723 NA MeJP NA NA +MJ039961 Prineoparaquinone C20H22O5 342.146723 NA MeJP NA NA +MJ039962 Pseudocordatolide C C20H22O5 342.146723 NA MeJP NA NA +MJ039963 Salvianduline D C20H22O5 342.146723 NA MeJP NA NA +MJ039964 Sorbifolin C20H22O5 342.146723 NA MeJP NA NA +MJ039965 Subdidymic acid C20H22O5 342.146723 NA MeJP NA NA +MJ039966 Teuvincenone C C20H22O5 342.146723 NA MeJP NA NA +MJ039967 Thwaitesic acid C20H22O5 342.146723 NA MeJP NA NA +MJ039968 Triptophenolide; 7-Oxo, 11-hydroxy C20H22O5 342.146723 NA MeJP NA NA +MJ039969 Volkensiachromone C20H22O5 342.146723 NA MeJP NA NA +MJ039970 Welwitschic acid; 17-Oxo C20H22O5 342.146723 NA MeJP NA NA +MJ039971 Xestosaprol B C20H22O5 342.146723 NA MeJP NA NA +MetaCyc03046 phaseollidin-hydrate [] C20H22O5 342.146724 NA metacyc NA NA +MJ039972 Alkaloid LA 4 C19H22N2O4 342.157957 NA MeJP NA NA +MJ039973 Donine C19H22N2O4 342.157957 NA MeJP NA NA +MJ039974 Gelsedine; 4,20-Didehydro, 14-hydroxy C19H22N2O4 342.157957 NA MeJP NA NA +MJ039975 Tetrahydrocantleyine; O-(5-Vinyl-3-pyridinecarboxylate) C19H22N2O4 342.157957 NA MeJP NA NA +C17403 Penicillin K C16H26N2O4S 342.1613 NA KEGG NA NA +MJ039976 Heptylpenicillin C16H26N2O4S 342.161328 NA MeJP NA NA +MJ039977 Sorbistin C C12H26N2O9 342.16383 NA MeJP NA NA +MJ039978 6-[3-(3,6-Dihydro-6-propyl-1,2-dioxin-3-yl)propyl]-3,6-dihydro-6-methoxy-1,2-dioxin-3-acetic acid C17H26O7 342.167853 NA MeJP NA NA +MJ039979 Jasmolone; O-?-D-Glucopyranoside C17H26O7 342.167853 NA MeJP NA NA +MJ039980 Anacine C18H22N4O3 342.16919 NA MeJP NA NA +C09581 Magnoflorine C20H24NO4 342.1705 NA KEGG NA NA +C17046 Phellodendrine C20H24NO4 342.1705 NA KEGG NA NA +MJ039981 Cryptaustoline C20H24NO4 342.170533 NA MeJP NA NA +MJ039982 Cyclanoline C20H24NO4 342.170533 NA MeJP NA NA +MJ039983 Zizyphusine C20H24NO4 342.170533 NA MeJP NA NA +7514 ACE inhibitor (from soy protein) NWGPLV 342.17345 MH2+ Inhouse_peptide NA peptide +8252 anticancer peptide EQRPR 342.177 MH2+ Inhouse_peptide NA peptide +3544 ACE inhibitor LNP 342.1789 ACE inhibitor Inhouse_peptide NA peptide +MJ039984 Antibiotic TAN 2178 C16H26N2O6 342.179086 NA MeJP NA NA +MJ039985 Eponemycin; 1''-N-Deacyl, 1''-N-butanoyl C16H26N2O6 342.179086 NA MeJP NA NA +EUR375 Aldosterone F2 F2 342.182775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR375 Aldosterone F2 NA 342.182775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR375 Aldosterone F2 F2 342.182775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR375 Aldosterone F2 NA 342.182775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR375 Aldosterone F2 F2 342.182775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR375 Aldosterone F2 NA 342.182775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR375 Aldosterone F2 F2 342.182775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR375 Aldostérone F2 F2 342.182775 standards wishlist analysés sur QTOF HMDB NA NA +EUR375 Aldosterone F2 F2 342.182775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR375 Aldosterone F2 NA 342.182775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR375 Aldosterone F2 F2 342.182775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR375 Aldosterone F2 F2 342.182775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ039986 11,12-Dioxo-1,10-seco-5(10),6,8,13-abietatetraen-1-oic acid; Me ester C21H26O4 342.183109 NA MeJP NA NA +MJ039987 11,20-Dihydroxy-3-oxopregna-1,4-dien-18-oic acid 18,20-lactone C21H26O4 342.183109 NA MeJP NA NA +MJ039988 19(4?3)-Abeo-11,12,14-trihydroxy-4(18),8,11,13-abietatetraen-7-one; 15,16-Didehydro, 12-Me ether C21H26O4 342.183109 NA MeJP NA NA +MJ039989 2,8,10-Heptadecatriene-4,6-diyne-1,14-diol, Di-Ac C21H26O4 342.183109 NA MeJP NA NA +MJ039990 21-Hydroxypregna-1,4-diene-3,11,20-trione C21H26O4 342.183109 NA MeJP NA NA +MJ039991 3',4,4',5-Tetrahydroxy-2,7'-cyclolignan, 3',4',5-Tri-Me ether C21H26O4 342.183109 NA MeJP NA NA +MJ039992 3,3',4,4'-Tetrahydroxylignan, 3,4-Methylene, 3',4'-di-Me ether C21H26O4 342.183109 NA MeJP NA NA +MJ039993 3,6-Dioxopregn-4-en-18,20-olide C21H26O4 342.183109 NA MeJP NA NA +MJ039994 5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone; 5-Me ether C21H26O4 342.183109 NA MeJP NA NA +MJ039995 5-Hydroxy-8(14),9(11)-vouacapadien-19-oic acid; 5?-form, Me ester C21H26O4 342.183109 NA MeJP NA NA +MJ039996 6-Hydroxyfuranoeremophil-1(10)-en-9-one, O-(3-Methyl-2-pentenoyl) C21H26O4 342.183109 NA MeJP NA NA +MJ039997 9-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-nonanone C21H26O4 342.183109 NA MeJP NA NA +MJ039998 Aspergillodiol; 12-Ketone, 21-aldehyde C21H26O4 342.183109 NA MeJP NA NA +MJ039999 Atratogenin A; 2-Ketone C21H26O4 342.183109 NA MeJP NA NA +MJ040000 Canniprene C21H26O4 342.183109 NA MeJP NA NA +MJ040001 Cordiaquinone G C21H26O4 342.183109 NA MeJP NA NA +MJ040002 Demethylcacalohastine; 14-(3-Methylbutanoyloxy), Me ether C21H26O4 342.183109 NA MeJP NA NA +MJ040003 Galeon, 10R-Alcohol, 4-Me ether C21H26O4 342.183109 NA MeJP NA NA +MJ040004 Lifibrol C21H26O4 342.183109 NA MeJP NA NA +MJ040005 Malabaricone A; 4'-Hydroxy C21H26O4 342.183109 NA MeJP NA NA +MJ040006 Nitenin; 7,8?-Dihydro C21H26O4 342.183109 NA MeJP NA NA +MJ040007 Panicein G C21H26O4 342.183109 NA MeJP NA NA +MJ040008 Preracemosol A C21H26O4 342.183109 NA MeJP NA NA +MJ040009 Strobilurin A; 3'-(3-Methyl-2-butenyloxy) C21H26O4 342.183109 NA MeJP NA NA +MJ040010 Triptophenolide; 11-Hydroxy, Me ether C21H26O4 342.183109 NA MeJP NA NA +MJ040011 Bhesine; 1,2-Didehydro C22H22N4 342.184446 NA MeJP NA NA +MJ040012 Glomerulatine A C22H22N4 342.184446 NA MeJP NA NA +PJ000399 PVQ C15H26N4O5 342.1903 NA PeJP NA NA +C06496 Compound IV C20H26N2O3 342.1943 NA KEGG NA NA +MJ040013 6-Amino-17-(cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol C20H26N2O3 342.194342 NA MeJP NA NA +MJ040014 Ajmaline; 11-Hydroxy C20H26N2O3 342.194342 NA MeJP NA NA +MJ040015 Ajmaline; 12-Hydroxy C20H26N2O3 342.194342 NA MeJP NA NA +MJ040016 Ajmalinine C20H26N2O3 342.194342 NA MeJP NA NA +MJ040017 Cilostamide C20H26N2O3 342.194342 NA MeJP NA NA +MJ040018 Disoxaril C20H26N2O3 342.194342 NA MeJP NA NA +MJ040019 Erichsonine C20H26N2O3 342.194342 NA MeJP NA NA +MJ040020 Iboxygaine hydroxyindolenine C20H26N2O3 342.194342 NA MeJP NA NA +MJ040021 Macroxine C20H26N2O3 342.194342 NA MeJP NA NA +MJ040022 Raumacline; 6?-Hydroxy C20H26N2O3 342.194342 NA MeJP NA NA +MJ040023 Sceletium Dihydropyridone base C20H26N2O3 342.194342 NA MeJP NA NA +MJ040024 C-Alkaloid Y C20H27N2O3(+) 342.194342 NA MeJP NA NA +MJ040025 Egregiachloride A; 6,7-Dihydro C19H31ClO3 342.196172 NA MeJP NA NA +PJ000400 APR C14H26N6O4 342.2016 NA PeJP NA NA +MJ040026 11-Hydroxy-9,15,16-trioxooctadecanoic acid C18H30O6 342.204238 NA MeJP NA NA +MJ040027 12-Hydroxy-13-(hydroxymethyl)-3,5,7-trimethyl-2,4-tetradecadiene-1,14-dioic acid C18H30O6 342.204238 NA MeJP NA NA +MJ040028 3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)-?-oxocyclopentanepentanoic acid C18H30O6 342.204238 NA MeJP NA NA +MJ040029 5-[Tetrahydro-4,6-dihydroxy-2-(3-hydroxy-1-octenyl)-2H-pyran-3-yl]-3-pentenoic acid C18H30O6 342.204238 NA MeJP NA NA +MJ040030 Albocycline M8 C18H30O6 342.204238 NA MeJP NA NA +MJ040031 Botryaloic acid; 15-Alcohol, 10-carboxylic acid, 4-Ac, Me ester C18H30O6 342.204238 NA MeJP NA NA +HMDB02904 2,3-Dinor-TXB2 C18H30O6 342.20425 http://www.hmdb.ca/metabolites/HMDB02904 HMDB NA NA +HMDB02904 2,3-Dinor-TXB2 C18H30O6 342.20425 HMDB02904 PFEM_hmdb_metabocards_official NA NA +HMDB02277 2,3-Dinor-6-keto-prostaglandin F1 a C18H30O6 342.204254 NA HMDB2010 NA NA +HMDB02904 2,3-Dinor-TXB2 C18H30O6 342.204254 NA HMDB2010 NA NA +MJ040032 2,3-Dihydro-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-3-(1-methylethyl)-2-oxo-1H-benzimidazole-1-carboxamide C19H26N4O2 342.205576 NA MeJP NA NA +MJ040033 Armepavine, O,N-Di-Me C21H28NO3 342.206918 NA MeJP NA NA +MJ040034 Spirogermanium C17H36GeN2 342.209027 NA MeJP NA NA +3975 ACE inhibitor VPK 342.214 ACE inhibitor Inhouse_peptide NA peptide +MJ040035 3-[3-Methyl-1-(3-methylbutylcarbamoyl)butylcarbamoyl]-2-oxiranecarboxylic acid; Et ester C17H30N2O5 342.215472 NA MeJP NA NA +HMDB02726 Guggulsterone C22H30O3 342.21948 http://www.hmdb.ca/metabolites/HMDB02726 HMDB NA NA +HMDB02726 Guggulsterone C22H30O3 342.21948 HMDB02726 PFEM_hmdb_metabocards_official NA NA +HMDB02726 Guggulsterone C22H30O3 342.219482 NA HMDB2010 NA NA +MJ040036 1,11-Bis(3-furanyl)-4,8-dimethyl-5,8-undecadien-4-ol; Me ether C22H30O3 342.219494 NA MeJP NA NA +MJ040037 2,5-Dihydroxy-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzaldehyde C22H30O3 342.219494 NA MeJP NA NA +MJ040038 2-Hydroxy-6-(8,11-pentadecadienyl)benzoic acid, 14',15'-Didehydro C22H30O3 342.219494 NA MeJP NA NA +MJ040039 3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-5-(3-methyl-2-butenyl)benzoic acid C22H30O3 342.219494 NA MeJP NA NA +MJ040040 4-Hydroxy-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzoic acid C22H30O3 342.219494 NA MeJP NA NA +MJ040041 6,8-Kempadiene-3,14-diol, 3-Ketone, 14-Ac C22H30O3 342.219494 NA MeJP NA NA +MJ040042 6-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1,2,4-benzenetriol; 1,4-Quinone, 2-Me ether C22H30O3 342.219494 NA MeJP NA NA +MJ040043 6-Hydroxy-8(13),11(20),14-amphilectatrien-2-one, Ac C22H30O3 342.219494 NA MeJP NA NA +MJ040044 8,10,12,14-Epiamphilectatetraene-9,10-diol, 10-Ac C22H30O3 342.219494 NA MeJP NA NA +MJ040045 8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-Ac C22H30O3 342.219494 NA MeJP NA NA +MJ040046 8,11,13-Abietatriene-7,18-diol; 7?-form, 18-Ac, 7-ketone C22H30O3 342.219494 NA MeJP NA NA +MJ040047 8-Daucene-4,6-diol, 6-Benzoyl C22H30O3 342.219494 NA MeJP NA NA +MJ040048 Avarol; 2',5'-Quinone, 3'-methoxy C22H30O3 342.219494 NA MeJP NA NA +MJ040049 Avarol; 2',5'-Quinone, 4'-methoxy C22H30O3 342.219494 NA MeJP NA NA +MJ040050 Avarol; ?4(12)-Isomer, 2',5'-quinone, 4'-methoxy C22H30O3 342.219494 NA MeJP NA NA +MJ040051 Buxatenone; 11?-Hydroxy C22H30O3 342.219494 NA MeJP NA NA +MJ040052 Endrisone C22H30O3 342.219494 NA MeJP NA NA +MJ040053 Furodendin C22H30O3 342.219494 NA MeJP NA NA +MJ040054 Furospongin 1; 11,12E-Didehydro, Me ether C22H30O3 342.219494 NA MeJP NA NA +MJ040055 Longithorol C; 1-Me ether C22H30O3 342.219494 NA MeJP NA NA +MJ040056 Megestrol C22H30O3 342.219494 NA MeJP NA NA +MJ040057 Photodeoxytridachione C22H30O3 342.219494 NA MeJP NA NA +MJ040058 Siccanin C22H30O3 342.219494 NA MeJP NA NA +MJ040059 Siccanochromene B C22H30O3 342.219494 NA MeJP NA NA +MJ040060 Siccanochromene D; 4,5-Didehydro C22H30O3 342.219494 NA MeJP NA NA +MJ040061 Siccanochromene D; Aldehyde C22H30O3 342.219494 NA MeJP NA NA +MJ040062 Siccanochromene E C22H30O3 342.219494 NA MeJP NA NA +MJ040063 Spongiaquinone; 1'-Deoxy C22H30O3 342.219494 NA MeJP NA NA +MJ040064 Tridachione, Deepoxy, 9,10-didehydro C22H30O3 342.219494 NA MeJP NA NA +MJ040065 Trimegestone C22H30O3 342.219494 NA MeJP NA NA +MJ040066 Zonaroic acid C22H30O3 342.219494 NA MeJP NA NA +C07120 Megestrol C22H30O3 342.2195 NA KEGG NA NA +C07122 Transferred to D00369 C22H30O3 342.2195 NA KEGG NA NA +C14632 6alpha-Methylpregn-4-ene-3,11,20-trione C22H30O3 342.2195 NA KEGG NA NA +C15301 2alpha-Methylpregn-4-ene-3,11,20-trione C22H30O3 342.2195 NA KEGG NA NA +C15467 6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21- C22H30O3 342.2195 NA KEGG NA NA +PJ000401 PVK C16H30N4O4 342.2267 NA PeJP NA NA +MJ040067 16,17,15,20-Tetrahydrosecodine C21H30N2O2 342.230728 NA MeJP NA NA +MJ040068 Pyrifolidine, N-De-Ac C21H30N2O2 342.230728 NA MeJP NA NA +MJ040069 Quinicinol; 10,11-Dihydro, N-Me C21H30N2O2 342.230728 NA MeJP NA NA +MJ040070 Quinicinol; 9-Epimer, 10,11-dihydro, N-Me C21H30N2O2 342.230728 NA MeJP NA NA +MJ040071 Sandwicoline C21H30N2O2 342.230728 NA MeJP NA NA +MJ040072 Secodine; 15,16,17,20-Tetrahydro C21H30N2O2 342.230728 NA MeJP NA NA +HMDB06001 3'-Hydroxystanozolol C21H30N2O2 342.23074 http://www.hmdb.ca/metabolites/HMDB06001 HMDB NA NA +HMDB06001 3'-Hydroxystanozolol C21H30N2O2 342.23074 HMDB06001 PFEM_hmdb_metabocards_official NA NA +MJ040073 2-Methyl-3-tetradecyl-2-butenedioic acid; 1''-Hydroxy C19H34O5 342.240624 NA MeJP NA NA +MJ040074 9,13-Dihydroxy-10-oxo-11-octadecenoic acid, 9-Me ether C19H34O5 342.240624 NA MeJP NA NA +MJ040075 3-(8,11,14-Heptadecatrienyl)-1,2-benzenediol C23H34O2 342.25588 NA MeJP NA NA +MJ040076 5-Heptadecyl-1,3-benzenediol; 8',9',11',12',14',15'-Hexadehydro(all-Z) C23H34O2 342.25588 NA MeJP NA NA +MJ040077 6,8-Tricosadiene-4,19-diynoic acid C23H34O2 342.25588 NA MeJP NA NA +MJ040078 Nostocyclyne A C23H34O2 342.25588 NA MeJP NA NA +MJ040079 15-Formylamino-8-isocyano-11(20)-amphilectene C22H34N2O 342.267113 NA MeJP NA NA +MJ040080 Hachijodines; Hachijodine G C22H34N2O 342.267113 NA MeJP NA NA +MJ040081 Niphatesine F C22H34N2O 342.267113 NA MeJP NA NA +MJ040082 Pulcherrimol C22H34N2O 342.267113 NA MeJP NA NA +MJ040083 Stirocainide C22H34N2O 342.267113 NA MeJP NA NA +MJ040084 2,6-Phytadiene-1,16,17,18-tetrol C20H38O4 342.277009 NA MeJP NA NA +MJ040085 3-Hydroxy-16-methylheptadecanoic acid; Ac C20H38O4 342.277009 NA MeJP NA NA +MJ040086 5-Alkyl-3,5-dimethyl-1,2-dioxolane-3-acetic acids; 3,5-Dimethyl-5-tridecyl-1,2-dioxolane-3-acetic acid C20H38O4 342.277009 NA MeJP NA NA +MJ040087 Eicosanedioic acid C20H38O4 342.277009 NA MeJP NA NA +MJ040088 Conarrhimine; N3,N23-Di-Me C23H38N2 342.303499 NA MeJP NA NA +MJ040089 Conarrhimine; N3,N3-Di-Me C23H38N2 342.303499 NA MeJP NA NA +HMDB11153 MG(P-18:0e/0:0/0:0) C21H42O3 342.313385 NA HMDB2010 NA NA +MJ040090 14-Hydroxyheneicosanoic acid C21H42O3 342.313395 NA MeJP NA NA +MJ040091 15-Hydroxyheneicosanoic acid C21H42O3 342.313395 NA MeJP NA NA +MJ040092 2-Decyl-5-(4,7-dihydroxyheptyl)tetrahydrofuran C21H42O3 342.313395 NA MeJP NA NA +MJ040093 2-Hydroxyheneicosanoic acid C21H42O3 342.313395 NA MeJP NA NA +MJ040094 3-(11-Octadecenyloxy)-1,2-propanediol C21H42O3 342.313395 NA MeJP NA NA +MJ040095 3-(9-Octadecenyloxy)-1,2-propanediol C21H42O3 342.313395 NA MeJP NA NA +C13860 1-O-Octadec-9-enyl glycerol C21H42O3 342.3134 NA KEGG NA NA +MJ040096 2,6,14-Trimethyl-10-methylene-9-(3-methyl-4-pentenyl)-6-pentadecene; 2,3,13,14-Tetradehydro C25H42 342.328651 NA MeJP NA NA +MJ040097 6-(1,5-Dimethyl-4-hexenyl)-3,9,13-trimethyl-1,5,8,12-tetradecatetraene C25H42 342.328651 NA MeJP NA NA +MJ040098 1,22-Docosanediol C22H46O2 342.34978 NA MeJP NA NA +MJ040099 1,3-Docosanediol C22H46O2 342.34978 NA MeJP NA NA +3642 NA YPFGFG~ 342.6545 MH2+ Inhouse_peptide NA peptide +MJ040100 Manzacidin B; 5-Deoxy C12H14BrN3O4 343.016768 NA MeJP NA NA +MJ040101 Cortamidine oxide C13H17N3O4S2 343.066047 NA MeJP NA NA +MJ040102 3,4,6-Trihydroxy-10-nitro-1-phenanthrenecarboxylic acid; 4-Me ether, Me ester C17H13NO7 343.069201 NA MeJP NA NA +MJ040103 Ipsalazide C16H13N3O6 343.080435 NA MeJP NA NA +MJ040104 5-[2-[4-(Trifluoromethyl)phenyl]ethenyl]-1,3-dioxolo[4,5-g]isoquinoline C19H12F3NO2 343.082013 NA MeJP NA NA +MJ040105 N-(7-Mercaptoheptanoyl)threonine O3-phosphate C11H22NO7PS 343.085459 NA MeJP NA NA +MetaCyc03047 coenzyme B [N-(7-mercaptoheptanoyl)-3-O-phosphono-L-threonine;N-(7-mercaptoheptanoyl)threonine 3-O-phosphate;CoB;H-S-CoB;7-mercaptoheptanoyl threonine phosphate;HS-HTP;N-(7-mercaptoheptanoyl)-L-threonine 3-O-phosphate;N-(7-mercaptoheptanoyl)-3-phospho-L-threonine;N-(7-sulfanylheptanoyl)-L-threonine 3-O-phosphate;N-(7-sulfanylheptanoyl)-3-O-phosphono-L-threonine;N-(7-sulfanylheptanoyl)-3-phospho-L-threonine;N-(7-mercaptoheptanoyl)threonine O3-phosphate;] C11H22N1O7P1S1 343.085459 NA metacyc NA NA +C04628 N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate C11H22NO7PS 343.0855 NA KEGG NA NA +MJ040106 Bromopride C14H22BrN3O2 343.089539 NA MeJP NA NA +C15772 DIBOA-glucoside C14H17NO9 343.0903 NA KEGG NA NA +C15773 Bleomycin C50H71N16O21S2R 343.0903 NA KEGG NA NA +C15774 Bleomycin A C53H78N17O21S2R 343.0903 NA KEGG NA NA +C15775 Bleomycin B C50H72N17O21S2R 343.0903 NA KEGG NA NA +MJ040107 2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one, 2-O-?-D-Glucopyranoside C14H17NO9 343.090331 NA MeJP NA NA +MJ040108 2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one; N-Hydroxy, 2-O-?-D-glucopyranoside C14H17NO9 343.090331 NA MeJP NA NA +MetaCyc03048 DIBOA-Glc [DIBOA-glucoside;2-(2,4-dihydroxy-1,4-benzoxazin-3-one)-β-D-glucopyranose;] C14H17N1O9 343.090331 NA metacyc NA NA +MJ040109 Clotiapine C18H18ClN3S 343.090995 NA MeJP NA NA +MJ040110 Arcyriarubin A; 6'-Hydroxy C20H13N3O3 343.095691 NA MeJP NA NA +MJ040111 Arcyroxocin A; 4c,4d-Dihydro C20H13N3O3 343.095691 NA MeJP NA NA +MJ040112 Violacein C20H13N3O3 343.095691 NA MeJP NA NA +MetaCyc03049 violacein [5-(5-hydroxy-3-indolyl)-3-(3-oxinodolylidene)-2-oxopyrroline;] C20H13N3O3 343.095691 NA metacyc NA NA +MJ040113 Auxarconjugatin A C19H18ClNO3 343.097521 NA MeJP NA NA +MJ040114 Picoprazole C17H17N3O3S 343.099062 NA MeJP NA NA +MJ040115 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, N-(4-Hydroxycinnamoyl)(E-) C18H17NO6 343.105587 NA MeJP NA NA +MJ040116 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, N-(4-Hydroxycinnamoyl)(Z-) C18H17NO6 343.105587 NA MeJP NA NA +MJ040117 Tecleanthine; 7-Methoxy C18H17NO6 343.105587 NA MeJP NA NA +MJ040118 Tyrosine, O-(3,4-Dihydroxycinnamoyl)(E-) C18H17NO6 343.105587 NA MeJP NA NA +MJ040119 6-Amino-5-chloro-2-(1-methyl-4-piperidinyl)-1H-benz[de]isoquinoline-1,3(2H)-dione C18H18ClN3O2 343.108754 NA MeJP NA NA +CJneg0544 N2-methylguanosine [(M-H)+(HCOOH)]- C12H16N5O7 343.113325 C18rt(min)=4.52 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0544 N2-methylguanosine [(M-H)+(HCOOH)]- C12H16N5O7 343.113325 C18rt(min)=4.52 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ040120 Uvarindole C C22H17NO3 343.120843 NA MeJP NA NA +MetaCyc03050 lactulose [CEPHULAC (TN);] C12H23O11 343.124037 4618-18-2 metacyc NA NA +MJ040121 Lithospermoside; 4-Me ether C15H21NO8 343.126716 NA MeJP NA NA +MJ040122 Tyrosine, O-?-D-Glucopyranoside C15H21NO8 343.126716 NA MeJP NA NA +PJ000402 GMH C13H21N5O4S 343.1314 NA PeJP NA NA +MJ040123 Chondriamide A; 7-Hydroxy C21H17N3O2 343.132076 NA MeJP NA NA +3825 NA GYYPTS 343.139 MH2+ Inhouse_peptide NA peptide +MJ040124 3-Demethylcolchicine; De-Ac C19H21NO5 343.141972 NA MeJP NA NA +MJ040125 4-(2-Aminoethyl)phenol; N-(4-Hydroxy-3,5-dimethoxy-E-cinnamoyl) C19H21NO5 343.141972 NA MeJP NA NA +MJ040126 4-Hydroxy-3-methoxyphenethylamine; N-(4-Hydroxy-3-methoxycinnamoyl)(E-) C19H21NO5 343.141972 NA MeJP NA NA +MJ040127 4-Hydroxy-3-methoxyphenethylamine; N-(4-Hydroxy-3-methoxycinnamoyl)(Z-) C19H21NO5 343.141972 NA MeJP NA NA +MJ040128 Alkaloid LA 6 C19H21NO5 343.141972 NA MeJP NA NA +MJ040129 Caseamine; ?-N-Oxide C19H21NO5 343.141972 NA MeJP NA NA +MJ040130 Cularine, O6-De-Me, N-Oxide (?-) C19H21NO5 343.141972 NA MeJP NA NA +MJ040131 Cularine, O6-De-Me, N-Oxide (?-) C19H21NO5 343.141972 NA MeJP NA NA +MJ040132 Danguyelline C19H21NO5 343.141972 NA MeJP NA NA +MJ040133 Delavaine; N-De-Me C19H21NO5 343.141972 NA MeJP NA NA +MJ040134 Erythraline, 11?-Methoxy, N-oxide C19H21NO5 343.141972 NA MeJP NA NA +MJ040135 Haemanthamine, O-Ac C19H21NO5 343.141972 NA MeJP NA NA +MJ040136 Homolycorine; O9-De-Me, O9-Ac C19H21NO5 343.141972 NA MeJP NA NA +MJ040137 Limousamine C19H21NO5 343.141972 NA MeJP NA NA +MJ040138 Montanine; Ac C19H21NO5 343.141972 NA MeJP NA NA +MJ040139 N-(3,4-Dihydroxycinnamoyl)dopamine, 3,3'-Di-Me ether C19H21NO5 343.141972 NA MeJP NA NA +MJ040140 N-(3,4-Dihydroxycinnamoyl)dopamine, 3,4'-Di-Me ether C19H21NO5 343.141972 NA MeJP NA NA +MJ040141 N-Deacetylcolchiceine C19H21NO5 343.141972 NA MeJP NA NA +MJ040142 Prostephanaberrine C19H21NO5 343.141972 NA MeJP NA NA +MJ040143 Salutaridine, N-Oxide C19H21NO5 343.141972 NA MeJP NA NA +MJ040144 Sarcocapnidine; 4R-Hydroxy C19H21NO5 343.141972 NA MeJP NA NA +MJ040145 Sarcocapnidine; N-Oxide (?-) C19H21NO5 343.141972 NA MeJP NA NA +MJ040146 Thalicsimidine, O3,O9,N-Tri-de-Me C19H21NO5 343.141972 NA MeJP NA NA +MJ040147 Thaliporphine, 4?-Hydroxy, N-de-Me C19H21NO5 343.141972 NA MeJP NA NA +MJ040148 [[4-[4-Hydroxy-3-(1-methylethyl)phenoxy]-3,5-dimethylphenyl]amino]oxoacetic acid C19H21NO5 343.141972 NA MeJP NA NA +MJ040149 Amphistin C13H21N5O6 343.149183 NA MeJP NA NA +PJ000403 STH C13H21N5O6 343.1492 NA PeJP NA NA +C12677 Acrinol C15H15N3O 343.1532 NA KEGG NA NA +MJ040150 Mazethramycin A; Me ether C18H21N3O4 343.153206 NA MeJP NA NA +MJ040151 Porothramycin A C18H21N3O4 343.153206 NA MeJP NA NA +PJ000404 PPM C15H25N3O4S 343.1566 NA PeJP NA NA +3575 NA QPQAFP 343.1625 MH2+ Inhouse_peptide NA peptide +7542 ACE inhibitor DLP 343.1629 antioxidative Inhouse_peptide NA peptide +MJ040152 Clemastine C21H26ClNO 343.170292 NA MeJP NA NA +C06913 Clemastine C21H26ClNO 343.1703 NA KEGG NA NA +MJ040153 Thiambutosine C19H25N3OS 343.171833 NA MeJP NA NA +PJ000405 PVE C15H25N3O6 343.1744 NA PeJP NA NA +MJ040154 1,6-Didehydro-3,16-dimethoxyerythrinan-15-carboxylic acid; Me ester C20H25NO4 343.178358 NA MeJP NA NA +MJ040155 Anomuricine; Me ether C20H25NO4 343.178358 NA MeJP NA NA +MJ040156 Armepavine, Me ether, N-oxide C20H25NO4 343.178358 NA MeJP NA NA +MJ040157 Bernumicine C20H25NO4 343.178358 NA MeJP NA NA +MJ040158 Cilomilast C20H25NO4 343.178358 NA MeJP NA NA +MJ040159 Codamine C20H25NO4 343.178358 NA MeJP NA NA +MJ040160 Cohirsine C20H25NO4 343.178358 NA MeJP NA NA +MJ040161 Crassifoline methine C20H25NO4 343.178358 NA MeJP NA NA +MJ040162 Cryptostyline II C20H25NO4 343.178358 NA MeJP NA NA +MJ040163 Delbidine C20H25NO4 343.178358 NA MeJP NA NA +MJ040164 Dyshomerythrine C20H25NO4 343.178358 NA MeJP NA NA +MJ040165 Erybidine C20H25NO4 343.178358 NA MeJP NA NA +MJ040166 Erythrartine; Me ether C20H25NO4 343.178358 NA MeJP NA NA +MJ040167 Erythrococcamide A C20H25NO4 343.178358 NA MeJP NA NA +MJ040168 Higenamine, O,O,O-Tri-Me, N-oxide C20H25NO4 343.178358 NA MeJP NA NA +MJ040169 Kreysiginone; Natural-form, 9,10-Dihydro C20H25NO4 343.178358 NA MeJP NA NA +MJ040170 Laudanidine C20H25NO4 343.178358 NA MeJP NA NA +MJ040171 Luteidine C20H25NO4 343.178358 NA MeJP NA NA +MJ040172 Pallidinine, Me ether C20H25NO4 343.178358 NA MeJP NA NA +MJ040173 Pseudolaudanine C20H25NO4 343.178358 NA MeJP NA NA +MJ040174 Roemerialinone; 7a-Epimer, 8,9-Dihydro C20H25NO4 343.178358 NA MeJP NA NA +MJ040175 Sendaverine; 3'-Methoxy, O7-Me C20H25NO4 343.178358 NA MeJP NA NA +MJ040176 Thalifendlerine C20H25NO4 343.178358 NA MeJP NA NA +MJ040177 Wilsonine C20H25NO4 343.178358 NA MeJP NA NA +MJ040178 Crassifoline, N-Me C20H26NO4(+) 343.178358 NA MeJP NA NA +MJ040179 Reticuline, N-Me C20H26NO4(+) 343.178358 NA MeJP NA NA +C09555 (-)-Laudanidine C20H25NO4 343.1784 NA KEGG NA NA +C15430 3-Hydroxyestra-1,3,5(10)-trien-17-one O-(carboxymethyl)oxime C20H25NO4 343.1784 NA KEGG NA NA +C17592 Laudanine C20H25NO4 343.1784 NA KEGG NA NA +MJ040180 Aplysepine C19H25N3O3 343.189591 NA MeJP NA NA +MJ040181 Indolactam V, O-Ac C19H25N3O3 343.189591 NA MeJP NA NA +2651 synthetic fr, of human beta-CN (168-173) ACE inhibitor VLPYPV 343.1935 MH2+ Inhouse_peptide NA peptide +C16548 N,N-Didesmethyltamoxifen C24H25NO 343.1936 NA KEGG NA NA +MJ040182 Floridimine; 3'-Ac C17H29NO6 343.199487 NA MeJP NA NA +MJ040183 (2,4-Dimethoxy-3-prenylcinnamoyl)piperidine C21H29NO3 343.214743 NA MeJP NA NA +MJ040184 2-Nonyl-4(1H)-quinolinone; NH-form, N-Acetoxymethyl C21H29NO3 343.214743 NA MeJP NA NA +MJ040185 Isopiperolein B C21H29NO3 343.214743 NA MeJP NA NA +MJ040186 Pipernonaline; 2,3-Dihydro C21H29NO3 343.214743 NA MeJP NA NA +MJ040187 Polysignine C21H29NO3 343.214743 NA MeJP NA NA +MJ040188 Smenospongine C21H29NO3 343.214743 NA MeJP NA NA +MJ040189 Yesonine C21H29NO3 343.214743 NA MeJP NA NA +MJ040190 Cinchocaine C20H29N3O2 343.225977 NA MeJP NA NA +C07879 Dibucaine C20H29N3O2 343.226 NA KEGG NA NA +MJ040191 Broussonetine U C18H33NO5 343.235873 NA MeJP NA NA +MJ040192 Broussonetinine A; 4-Epimer, 10'-deoxo, 9'-oxo, 3',4'-didehydro(E-) C18H33NO5 343.235873 NA MeJP NA NA +MJ040193 Broussonetinine A; 4-Epimer, 3',4'-didehydro(E-) C18H33NO5 343.235873 NA MeJP NA NA +3421 ACE inhibitor LVL 343.236 ACE inhibitor Inhouse_peptide NA peptide +PJ000406 VLL C17H33N3O4 343.2471 NA PeJP NA NA +MJ040194 Leucylvalylleucine; L-L-L-form C17H33N3O4 343.247106 NA MeJP NA NA +C06092 Veatchine C22H33NO2 343.2511 NA KEGG NA NA +C08660 Atisine C22H33NO2 343.2511 NA KEGG NA NA +C08672 Cuauchichicine C22H33NO2 343.2511 NA KEGG NA NA +C08680 Denudatine C22H33NO2 343.2511 NA KEGG NA NA +C08685 Garryine C22H33NO2 343.2511 NA KEGG NA NA +C10814 Paravallarine C22H33NO2 343.2511 NA KEGG NA NA +MJ040195 Veatchine C22H33NO2 343.251129 NA MeJP NA NA +MJ040196 20-Aminopregna-1,4-dien-3-one, 18-Hydroxy, N-Me C22H33NO2 343.251129 NA MeJP NA NA +MJ040197 Ajabicine C22H33NO2 343.251129 NA MeJP NA NA +MJ040198 Atidine; 7-Deoxo, 2'-aldehyde C22H33NO2 343.251129 NA MeJP NA NA +MJ040199 Atisine C22H33NO2 343.251129 NA MeJP NA NA +MJ040200 Cuauchichicine C22H33NO2 343.251129 NA MeJP NA NA +MJ040201 Denudatine C22H33NO2 343.251129 NA MeJP NA NA +MJ040202 Garryine C22H33NO2 343.251129 NA MeJP NA NA +MJ040203 Himgravine C22H33NO2 343.251129 NA MeJP NA NA +MJ040204 Isoatisine C22H33NO2 343.251129 NA MeJP NA NA +MJ040205 Isocuauchichicine C22H33NO2 343.251129 NA MeJP NA NA +MJ040206 N-(4-Hydroxyphenethyl)-2,4-tetradecadienamide C22H33NO2 343.251129 NA MeJP NA NA +MJ040207 Paravallarine C22H33NO2 343.251129 NA MeJP NA NA +MJ040208 Porantherilidine C22H33NO2 343.251129 NA MeJP NA NA +MJ040209 Samandenone C22H33NO2 343.251129 NA MeJP NA NA +MJ040210 Veatchine C22H33NO2 343.251129 NA MeJP NA NA +MJ040211 Oxapium(1+) C22H34NO2(+) 343.251129 NA MeJP NA NA +MJ040212 Sitamaquine C21H33N3O 343.262362 NA MeJP NA NA +HMDB02250 Dodecanoylcarnitine C19H37NO4 343.272247 NA HMDB2010 NA NA +HMDB02250 Dodecanoylcarnitine C19H37NO4 343.27225 http://www.hmdb.ca/metabolites/HMDB02250 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02250 Dodecanoylcarnitine C19H37NO4 343.27225 http://www.hmdb.ca/metabolites/HMDB02250 HMDB NA NA +HMDB02250 Dodecanoylcarnitine C19H37NO4 343.27225 Tripeptides ;SYN:Epsilon-(gamma-glu)-LYS; Epsilon-(gamma-l-glutamyl)-l-lysine; Epsilon-(gamma-glutamyl)lysine; Epsilon-(gamma-glutamyl)-lysine; Epsilon-(gamma-glutamyl)lysine isodipeptide; N(epsilon)-(gamma-glutamyl)-lysine; N(6)-L-gamma-Glutamyl-L-lysineH2Blood; Cerebrospinal Fluid Inhouse_peptide NA peptide +HMDB02250 Dodecanoylcarnitine C19H37NO4 343.27225 http://www.hmdb.ca/metabolites/HMDB02250 PFEM_hmdb_metabocards_blood NA blood +HMDB02250 Dodecanoylcarnitine C19H37NO4 343.27225 HMDB02250 PFEM_hmdb_metabocards_official NA NA +MJ040213 17-Oxocycloprotobuxine C23H37NO 343.287514 NA MeJP NA NA +MJ040214 20-Aminopregn-4-en-3-one, N,N-Di-Me C23H37NO 343.287514 NA MeJP NA NA +MJ040215 3-Aminopregn-16-en-20-one, N-Di-Me C23H37NO 343.287514 NA MeJP NA NA +MJ040216 3-Aminopregn-17(20)-en-16-one, N,N-Di-Me C23H37NO 343.287514 NA MeJP NA NA +MJ040217 3-Aminopregn-5-en-20-one, N,N-Di-Me C23H37NO 343.287514 NA MeJP NA NA +MJ040218 3-Aminopregn-5-en-20-one; 3?-form, N,N-Di-Me C23H37NO 343.287514 NA MeJP NA NA +MJ040219 Buxandonine L; Deoxo C24H41N 343.3239 NA MeJP NA NA +MJ040220 2,3,5-Tribromo-1,4-benzenediol C6H3Br3O2 343.768317 NA MeJP NA NA +MJ040221 3-Bromo-4-(3-bromo-2-nitrophenyl)-1H-pyrrole C10H6Br2N2O2 343.879602 NA MeJP NA NA +MJ040222 1,6-Dibromo-2-chloro-3(8)-ochtoden-4-ol C10H15Br2ClO 343.917818 NA MeJP NA NA +MJ040223 1,6-Dibromo-8-chloro-2-ochtoden-4-ol C10H15Br2ClO 343.917818 NA MeJP NA NA +MJ040224 Aplysiapyranoid A C10H15Br2ClO 343.917818 NA MeJP NA NA +MJ040225 Pantoneurine A C10H15Br2ClO 343.917818 NA MeJP NA NA +MJ040226 5,6-Dibromotryptamine; Nb,Nb-Di-Me C12H14Br2N2 343.952373 NA MeJP NA NA +MJ040227 Niclofolan C12H6Cl2N2O6 343.960291 NA MeJP NA NA +MJ040228 Bis(4-methylphenyl)iodonium(1+); Chloride C14H14ClI 343.982871 NA MeJP NA NA +MJ040229 2,5-Dihydroxybenzenesulfonic acid; 5-(4-Methylbenzenesulfonate) C13H12O7S2 344.002444 NA MeJP NA NA +MJ040230 Austocystin A; 4,6-O-Di-de-Me C17H9ClO6 344.008765 NA MeJP NA NA +MJ040231 Slagenine A C11H13BrN4O4 344.012017 NA MeJP NA NA +C11043 Methoxychlor C16H15Cl3O2 344.0138 NA KEGG NA NA +MJ040232 Chondriol C15H18BrClO2 344.01787 NA MeJP NA NA +MJ040233 Venustin, 9?,10?-Epoxide C15H18BrClO2 344.01787 NA MeJP NA NA +MJ040234 Galactaric acid; 1,4-Lactone, 2-O-(3,4,5-trihydroxybenzoyl) C13H12O11 344.037961 NA MeJP NA NA +MJ040235 Galactaric acid; 1,4-Lactone, 3-O-(3,4,5-trihydroxybenzoyl) C13H12O11 344.037961 NA MeJP NA NA +MJ040236 Galactaric acid; 1,4-Lactone, 5-O-(3,4,5-trihydroxybenzoyl) C13H12O11 344.037961 NA MeJP NA NA +C11719 L787257 C17H13ClN2O2S 344.0386 NA KEGG NA NA +HMDB11683 Molybdopterin precursor Z C10H11N5O7P 344.039612 NA HMDB2010 NA NA +MJ040237 18-Bromo-9,13,17-octadecatriene-5,7,15-triynoic acid C18H17BrO2 344.041192 NA MeJP NA NA +C10836 3,4,3'-Tri-O-methylellagic acid C17H12O8 344.0532 NA KEGG NA NA +FL5FECNS0039 5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone C17H12O8 344.05321 36284-99-8 knapsack NA NA +FL5FECNS0045 3,5,3'-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone;7,9-Dihydroxy-6-(3-hydroxy-4-methoxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one C17H12O8 344.05321 261961-81-3 knapsack NA NA +FL5FFANS0017 Herbacetin 8-acetate C17H12O8 344.05321 83677-10-5 knapsack NA NA +FL5FFCNS0030 Wharangin C17H12O8 344.05321 571-73-3 knapsack NA NA +FL5FPTNS0002 Benthamianin;3,4,8,10-Tetrahydroxy-9-methoxy-[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one C17H12O8 344.05321 53766-41-9 knapsack NA NA +MJ040238 1,4,6,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid; 6-Me ether C17H12O8 344.053217 NA MeJP NA NA +MJ040239 1,4,6,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid; 8-Me ether C17H12O8 344.053217 NA MeJP NA NA +MJ040240 1,6,7,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid; 6-Me ether C17H12O8 344.053217 NA MeJP NA NA +MJ040241 3,3',4',5,6,7-Hexahydroxyflavone; 6,7-Methylene, 3-Me ether C17H12O8 344.053217 NA MeJP NA NA +MJ040242 3,3',4',5,6,7-Hexahydroxyflavone; 6,7-Methylene, 4'-Me ether C17H12O8 344.053217 NA MeJP NA NA +MJ040243 3,3',4',5,7,8-Hexahydroxyflavone; 7,8-Methylene, 3-Me ether C17H12O8 344.053217 NA MeJP NA NA +MJ040244 3,4',5,7,8-Pentahydroxyflavone; 8-Ac C17H12O8 344.053217 NA MeJP NA NA +MJ040245 3,4,8,9,10-Pentahydroxy[2]benzopyrano[4,3-b][1]benzopyran-7-(5H)-one; 9-Me ether C17H12O8 344.053217 NA MeJP NA NA +MJ040246 Aflatoxin GM1 C17H12O8 344.053217 NA MeJP NA NA +MJ040247 Ambicromil C17H12O8 344.053217 NA MeJP NA NA +MJ040248 Ellagic acid; 2,3,7-Tri-Me ether C17H12O8 344.053217 NA MeJP NA NA +MJ040249 Ellagic acid; 2,3,8-Tri-Me ether C17H12O8 344.053217 NA MeJP NA NA +MJ040250 Psoromic acid; O-De-Me C17H12O8 344.053217 NA MeJP NA NA +MJ040251 Scapaniapyrone A; 3,4?-Dihydro C17H12O8 344.053217 NA MeJP NA NA +MJ040252 Subpsoromic acid C17H12O8 344.053217 NA MeJP NA NA +MJ040253 Aplysistatin; 6?-Hydroxy C15H21BrO4 344.062321 NA MeJP NA NA +MJ040254 Diphenyl ether-3,3',5,5'-tetracarboxylic acid; 3,3'-Diamide C16H12N2O7 344.06445 NA MeJP NA NA +MJ040255 Antibiotic C 1778B C13H16N2O7S 344.067821 NA MeJP NA NA +MJ040256 Balsaminone A C21H12O5 344.068473 NA MeJP NA NA +EUR247 Thiamin monophosphate F1 NA 344.070675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR247 Thiamine monophosphate F1 NA 344.070675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR247 Thiamin monophosphate F1 NA 344.070675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR247 Thiamine monophosphate F1 NA 344.070675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR247 Thiamin monophosphate F1 NA 344.070675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR247 Thiamine monophosphate F1 NA 344.070675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR247 Thiamin monophosphate F1 NA 344.070675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR247 Thiamin monophosphate F1 NA 344.070675 standards wishlist analysés sur QTOF HMDB NA NA +EUR247 Thiamin monophosphate F1 NA 344.070675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR247 Thiamine monophosphate F1 NA 344.070675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR247 Thiamin monophosphate F1 NA 344.070675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR247 Thiamin monophosphate F1 NA 344.070675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR206 thiamin monophosphate C12H17N4O4PS 344.0708 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR206 thiamin monophosphate C12H17N4O4PS 344.0708 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR206 thiamin monophosphate C12H17N4O4PS 344.0708 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR206 thiamin monophosphate C12H17N4O4PS 344.0708 Wishlist Inhousejuil11 NA NA +HMDB02666 Thiamine monophosphate C12H17N4O4PS 344.070801 NA HMDB2010 NA NA +MJ040257 Sechulin C18H16O5S 344.071844 NA MeJP NA NA +C08241 Sodium C12H17O10 344.0719 NA KEGG NA NA +C17572 Bluensidine 6-phosphate C8H17N4O9P 344.0733 NA KEGG NA NA +EUR240 Thiamin pyrophosphate F2 F2 344.073875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR240 Thiamine pyrophosphate F2 NA 344.073875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR240 Thiamin pyrophosphate F2 F2 344.073875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR240 Thiamine pyrophosphate F2 NA 344.073875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR240 Thiamin pyrophosphate F2 F2 344.073875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR240 Thiamine pyrophosphate F2 NA 344.073875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR240 Thiamin pyrophosphate F2 F2 344.073875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR240 Thiamin pyrophosphate F2 F2 344.073875 standards wishlist analysés sur QTOF HMDB NA NA +EUR240 Thiamin pyrophosphate F2 F2 344.073875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR240 Thiamine pyrophosphate F2 NA 344.073875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR240 Thiamin pyrophosphate F2 F2 344.073875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR240 Thiamin pyrophosphate F2 F2 344.073875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C10834 Theogallin C14H16O10 344.0743 NA KEGG NA NA +MJ040258 Quinic acid, 3-O-(3,4,5-Trihydroxybenzoyl) C14H16O10 344.074346 NA MeJP NA NA +MJ040259 Quinic acid, 4-O-(3,4,5-Trihydroxybenzoyl) C14H16O10 344.074346 NA MeJP NA NA +MJ040260 Quinic acid, 5-O-(3,4,5-Trihydroxybenzoyl) C14H16O10 344.074346 NA MeJP NA NA +MJ040261 Octosyl acid B C13H16N2O9 344.08558 NA MeJP NA NA +C04444 3',5-Dihydroxy-3,4',7-trimethoxyflavone C18H16O7 344.0896 NA KEGG NA NA +C05153 7-Hydroxy-(S)-usnate C18H16O7 344.0896 NA KEGG NA NA +C10032 Cirsilineol C18H16O7 344.0896 NA KEGG NA NA +C10040 Eupatilin C18H16O7 344.0896 NA KEGG NA NA +C10101 (-)-Usnic acid C18H16O7 344.0896 NA KEGG NA NA +C10111 Nevadensin C18H16O7 344.0896 NA KEGG NA NA +C10117 Pachypodol C18H16O7 344.0896 NA KEGG NA NA +C10180 Santin C18H16O7 344.0896 NA KEGG NA NA +C10189 Tambulin C18H16O7 344.0896 NA KEGG NA NA +C14476 Xanthomicrol C18H16O7 344.0896 NA KEGG NA NA +C17040 Obtusin C18H16O7 344.0896 NA KEGG NA NA +FL1AECNS0001 Hamiltrone;DR 30;3',4'-Dihydroxy-4,5,6-trimethoxyaurone C18H16O7 344.0896 205444-63-9 knapsack NA NA +FL1CECNS0002 Agestricin A C18H16O7 344.0896 85563-73-1 knapsack NA NA +FL2FECNS0004 Agestricin B C18H16O7 344.0896 85563-74-2 knapsack NA NA +FL2FQUNM0001 Breverin C18H16O7 344.0896 41407-48-1 knapsack NA NA +FL3F2GNS0001 Prosogerin E C18H16O7 344.0896 79492-73-2 knapsack NA NA +FL3F3GNS0001 8,3'-Dihydroxy-7,4',5'-trimethoxyflavone C18H16O7 344.0896 133343-00-7 knapsack NA NA +FL3F9GNS0004 5,5'-Dihydroxy-8,3',4'-trimethoxyflavone;5-Hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-8-methoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 177602-72-1 knapsack NA NA +FL3FAKNS0002 Tricetin 3',4',5'-trimethyl ether;5,7-Dihydroxy-3',4',5'-trimethoxyflavone;5,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C18H16O7 344.0896 18103-42-9 knapsack NA NA +FL3FCINS0001 5,4'-dihydroxy-7,3',5'-trimethoxyflavone;5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 107316-94-9 knapsack NA NA +FL3FCKNS0002 Lethedocin;5-Hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 178664-72-7 knapsack NA NA +FL3FECNS0002 Eupatilin;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 22368-21-4 knapsack NA NA +FL3FECNS0013 Eupatorin;3',5-Dihydroxy-4',6,7-trimethoxyflavone;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 855-96-9 knapsack NA NA +FL3FECNS0014 6-Hydroxyluteolin 7,3',4'-trimethyl ether;5,6-Dihydroxy-7,3',4'-Trimethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 25782-23-4 knapsack NA NA +FL3FECNS0020 3',4'-Dihydroxy-5,6,7-trimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 51145-79-0 knapsack NA NA +FL3FECNS0023 Cirsilineol;Anisomelin;Eupatrin;Fastigenin;5,4'-Dihydroxy-6,7,3'-trimethoxyflavone C18H16O7 344.0896 41365-32-6 knapsack NA NA +FL3FF8NS0006 Wightin C18H16O7 344.0896 4825-18-7 knapsack NA NA +FL3FF8NS0010 Rivularin (flavone);5-Hydroxy-2-(2-hydroxy-6-methoxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 70028-59-0 knapsack NA NA +FL3FF8NS0011 5,7-Dihydroxy-8,2',6'-trimethoxyflavone C18H16O7 344.0896 102273-93-8 knapsack NA NA +FL3FF9NS0008 5,7-Dihydroxy-8,3',5'trimethoxyflavone;2-(3,5-Dimethoxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 618889-78-4 knapsack NA NA +FL3FFCNS0005 Hypolaetin 8,3',4'-trimethyl ether;5,7-Dihydroxy-8,3',4'-trimethoxyflavone;3',4'-Dimethoxywogonin;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 36810-81-8 knapsack NA NA +FL3FFCNS0008 8,3'-Dihydroxy-5,7,4'-trimethoxyflavone;8-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 89456-38-2 knapsack NA NA +FL3FG8NS0003 Tenaxin I C18H16O7 344.0896 86926-52-5 knapsack NA NA +FL3FGANS0001 Nevadensin C18H16O7 344.0896 10176-66-6 knapsack NA NA +FL3FGANS0006 Xanthomicrol;5-Hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 16545-23-6 knapsack NA NA +FL3FGANS0007 Pedunculin C18H16O7 344.0896 2798-22-3 knapsack NA NA +FL3FGANS0008 5,6-Dihydroxy-7,8,4'-trimethoxyflavone C18H16O7 344.0896 54288-57-2 knapsack NA NA +FL4DABNS0002 5,7-Dihydroxy-4'-methoxy-3-O-acetylflavanone C18H16O7 344.0896 187522-24-3 knapsack NA NA +FL4DCANS0002 (2R,3R)-Aromadendrin 7-methyl ether 3-acetate C18H16O7 344.0896 80158-89-0 knapsack NA NA +FL4DCANS0003 (2R,3S)-5,4'-Dihydroxy-7-methoxy-3-O-acetylflavanone C18H16O7 344.0896 140614-82-0 knapsack NA NA +FL5F1GNS0004 4',5'-Dihydroxy-3,7,3'-trimethoxyflavone C18H16O7 344.0896 - knapsack NA NA +FL5F1GNS0005 3,4'-Dihydroxy-7,3',5'-trimethoxyflavone;3-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 223902-82-7 knapsack NA NA +FL5FALNS0004 Morin 3,2',4'-trimethyl ether C18H16O7 344.0896 135566-98-2 knapsack NA NA +FL5FBFNS0001 3,7-Dihydroxy-5,3',4'-trimethoxyflavone;2-(3,4-Dimethoxyphenyl)-3,7-dihydroxy-5-methoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 3306-16-9 knapsack NA NA +FL5FCFNS0001 Quercetin 7,3',4'-trimethyl ether;3,5-Dihydroxy-7,3',4'-trimethoxyflavone;2-(3,4-Dimethoxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 6068-80-0 knapsack NA NA +FL5FDCNM0003 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one C18H16O7 344.0896 181884-07-1 knapsack NA NA +FL5FDCNM0004 2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one C18H16O7 344.0896 181884-08-2 knapsack NA NA +FL5FDDNM0001 6-C-Methylquercetin 3,3'-dimethyl ether C18H16O7 344.0896 - knapsack NA NA +FL5FDDNS0002 Quercetin 3,5,3'-trimethyl ether C18H16O7 344.0896 13459-09-1 knapsack NA NA +FL5FDDNS0003 Pachypodol;5,4'-Dihydroxy-3,7,3'-trimethoxyflavone;Quercetin 3,3',7-trimethyl ether;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 33708-72-4 knapsack NA NA +FL5FDENS0002 Ayanin;3,7,4'-Tri-O-methylquercetin;5,3'-Dihydroxy-3,7,4'-trimethoxyflavone;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 572-32-7 knapsack NA NA +FL5FDFNS0001 Quercetin 3,3',4'-trimethyl ether;5,7-Dihydroxy-3,3',4'-trimethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 14549-84-9 knapsack NA NA +FL5FEANS0002 Santin C18H16O7 344.0896 27782-63-4 knapsack NA NA +FL5FEANS0014 6-Hydroxykaempferol 3,5,7-trimethyl ether C18H16O7 344.0896 154662-03-0 knapsack NA NA +FL5FEANS0015 Penduletin;5,4'-Dihydroxy-3,6,7-trimethoxyflavone;5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 569-80-2 knapsack NA NA +FL5FEANS0016 Candidol C18H16O7 344.0896 35286-55-6 knapsack NA NA +FL5FEANS0017 Mikanin;3,5-Dihydroxy-4',6,7-trimethoxyflavone;3,5-Dihydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C18H16O7 344.0896 4324-53-2 knapsack NA NA +FL5FEANS0021 5,6-Dihydroxy-3,7,4'-trimethoxyflavone;6-Hydroxykaempferol 3,7,4'-trimethyl ether;Tanetin;5,6-Dihydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C18H16O7 344.0896 84019-17-0 knapsack NA NA +FL5FF8NS0002 5,2'-Dihydroxy-3,7,8-trimethoxyflavone C18H16O7 344.0896 51724-52-8 knapsack NA NA +FL5FFANM0001 5,8,4'-Trihydroxy-3,7-dimethoxy-6-methylflavone C18H16O7 344.0896 - knapsack NA NA +FL5FFANS0003 Tambulin C18H16O7 344.0896 571-72-2 knapsack NA NA +FL5FFANS0012 Herbacetin 3,7,8-trimethyl ether;5,4'-Dihydroxy-3,7,8-trimethoxyflavone;5-Hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one C18H16O7 344.0896 6586-29-4 knapsack NA NA +FL5FFANS0013 Herbacetin 3,7,4'-trimethyl ether C18H16O7 344.0896 58902-16-2 knapsack NA NA +FL5FFANS0014 Herbacetin 3,8,4'-trimethyl ether;5,7-Dihydroxy-3,8,4'-trimethoxyflavone;3,8,4'-Trimethylherbacetin;5,7-dDihydroxy-3,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C18H16O7 344.0896 1570-09-8 knapsack NA NA +FL5FG9NS0002 5,8-Dihydroxy-3,6,7-trimethoxyflavone;5,8-Dihydroxy-3,6,7-trimethoxy-2-phenyl-4H-1-benzopyran-4-one C18H16O7 344.0896 85966-33-2 knapsack NA NA +FL5FG9NS0003 Araneol;5,7-Dihydroxy-3,6,8-trimethoxyflavone;5,7-Dihydroxy-3,6,8-trimethoxy-2-phenyl-4H-1-benzopyran-4-one C18H16O7 344.0896 71479-92-0 knapsack NA NA +FL5FG9NS0004 3,5-Dihydroxy-6,7,8-trimethoxyflavone;3,5-Dihydroxy-6,7,8-trimethoxy-2-phenyl-4H-1-benzopyran-4-one C18H16O7 344.0896 14221-65-9 knapsack NA NA +FLIAAKNS0001 Panchovillin;5,7-Dihydroxy-3',4',5'-trimethoxyisoflavone C18H16O7 344.0896 89505-45-3 knapsack NA NA +FLIAALNS0005 Derrugenin;5,4'-Dihydroxy-7,2',5'-trimethoxyisoflavone C18H16O7 344.0896 73428-16-7 knapsack NA NA +FLIAECNS0005 Junipegenin B;Dalspinosin;5,7-Dihydroxy-6,3',4'-trimethoxyisoflavone C18H16O7 344.0896 78134-85-7 knapsack NA NA +FLIAF8NS0002 5,3'-Dihydroxy-7,8,2'-trimethoxyisoflavone C18H16O7 344.0896 129724-34-1 knapsack NA NA +FLIAFCNS0003 5,7-Dihydroxy-8,3',4'-trimethoxyisoflavone C18H16O7 344.0896 78182-91-9 knapsack NA NA +FLID4CNS0001 2-Hydroxy-4-methoxypterocarpin;2-Hydroxy-3,4-dimethoxy-8,9-methylenedioxypterocarpan C18H16O7 344.0896 131442-28-9 knapsack NA NA +FLIDHXNS0012 Lathycarpin;6a-Hydroxy-2,3-dimethoxy-8,9-methylenedioxypterocarpan C18H16O7 344.0896 83159-18-6 knapsack NA NA +FLIDWXNS0010 Bryacarpene 1;4,10-Dihydroxy-3,8,9-trimethoxypterocarpene C18H16O7 344.0896 55306-14-4 knapsack NA NA +FLIFHXNM0001 Boeravinone C;4,11,12a-Trihydroxy-9-methoxy-10-methylrotenone C18H16O7 344.0896 117176-19-9 knapsack NA NA +FLNAFCNS0001 8,3'-Dihydroxy-5,7,4'-trimethoxy-4-phenylcoumarin C18H16O7 344.0896 126588-34-9 knapsack NA NA +MJ040262 1,2,3,4,5-Pentahydroxyanthraquinone; 1,2,3,4-Tetra-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040263 1,2,3,4,6-Pentahydroxyanthraquinone; 1,3,4,6-Tetra-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040264 1,2,3,5,8-Pentahydroxy-6-methylanthraquinone; 1,2,3-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040265 1,2,3,5,8-Pentahydroxy-6-methylanthraquinone; 1,3,5-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040266 1,2,3,5,8-Pentahydroxy-7-methylanthraquinone; 1,2,3-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040267 1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 1,2,3-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040268 1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 2,3,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040269 1,3,5,6-Tetrahydroxy-2-hydroxymethylanthraquinone; 1'-Et ether, 6-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040270 1,3,5,7,8-Pentahydroxy-2-methylanthraquinone; 3,5,7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040271 1,3,5,7,8-Pentahydroxy-2-methylanthraquinone; 5,7,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040272 2',3',5,6,7-Pentahydroxyisoflavone; 2',5,6-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040273 2',3',5,6,7-Pentahydroxyisoflavone; 2',5,7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040274 2',3',5,6,7-Pentahydroxyisoflavone; 2',6,7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040275 2',3',5,7,8-Pentahydroxyflavone; 2',7,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040276 2',3',5,7,8-Pentahydroxyisoflavone; 2',5,7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040277 2',3',5,7,8-Pentahydroxyisoflavone; 2',7,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040278 2',3,3',4,4',6'-Hexahydroxychalcone; 3,4-Methylene, 2',4'-di-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040279 2',3,4',5,7-Pentahydroxyflavone; 2',3,4'-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040280 2',3,4',5,7-Pentahydroxyflavone; 2',4,7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040281 2',3,4',7,8-Pentahydroxyflavone; 2',3,7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040282 2',3,5,7,8-Pentahydroxyflavone; 3,7,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040283 2',4',5,5',7-Pentahydroxyflavone; 4',5',7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040284 2',4',5,5',7-Pentahydroxyisoflavone; 2',4',5'-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040285 2',4',5,5',7-Pentahydroxyisoflavone; 2',5',7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040286 2',4',5,5',8-Pentahydroxyflavone; 2',4',8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040287 2',4',5,7,8-Pentahydroxyflavone; 4',7,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040288 2',5,6',7,8-Pentahydroxyflavone; 2',6',8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040289 2',5,6',7,8-Pentahydroxyflavone; 2',7,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040290 2',5,6,7,8-Pentahydroxyflavone; 6,7,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040291 2,3,4,8,9-Pentahydroxypterocarpan, 3,4-Di-Me, 8,9-methylene ether C18H16O7 344.089602 NA MeJP NA NA +MJ040292 2,3,6a,8,9-Pentahydroxypterocarpan; 2,3-Di-Me, 8,9-methylene ether C18H16O7 344.089602 NA MeJP NA NA +MJ040293 3',4',5',6,7-Pentahydroxyflavone; 3',4',5'-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040294 3',4',5',7,8-Pentahydroxyflavone; 4',5',7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040295 3',4',5,5',7-Pentahydroxyflavone; 3',4',5'-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040296 3',4',5,5',7-Pentahydroxyflavone; 3',4',7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040297 3',4',5,5',7-Pentahydroxyflavone; 3',5',7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040298 3',4',5,5',7-Pentahydroxyisoflavone; 3',4',5'-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040299 3',4',5,5',7-Pentahydroxyisoflavone; 3',4',7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040300 3',4',5,6,7-Pentahydroxyflavanone, 3',4'-Methylene, 5,7-di-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040301 3',4',5,6,7-Pentahydroxyflavone; 3',4',7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040302 3',4',5,6,7-Pentahydroxyflavone; 3',6,7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040303 3',4',5,6,7-Pentahydroxyisoflavone; 3',4',6-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040304 3',4',5,7,8-Pentahydroxyflavone; 3',4',7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040305 3',4',5,7,8-Pentahydroxyflavone; 3',4',8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040306 3',4',5,7,8-Pentahydroxyflavone; 3',7,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040307 3',4',5,7,8-Pentahydroxyisoflavone; 3',4',8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040308 3',4',6,7,8-Pentahydroxyisoflavone; 4',6,7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040309 3',4,4',5,6-Pentahydroxyaurone; 4,5,6-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040310 3',5-Dihydroxy-3,4',7-trimethoxyflavone C18H16O7 344.089602 NA MeJP NA NA +MJ040311 3',5-Dihydroxy-4',6,7-trimethoxyflavone C18H16O7 344.089602 NA MeJP NA NA +MJ040312 3,3',4',5',7-Pentahydroxyflavone; 3',5',7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040313 3,3',4',5',7-Pentahydroxyflavone; 3,3',7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040314 3,3',4',5,7-Pentahydroxy-6,8-dimethylflavone; 3-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040315 3,3',4',5,7-Pentahydroxy-6-methylflavone; 3,3'-Di-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040316 3,3',4',5,7-Pentahydroxy-6-methylflavone; 3,7-Di-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040317 3,3',4',5,7-Pentahydroxyflavone; 3,3',4'-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040318 3,3',4',5,8-Pentahydroxyflavone; 3',4',8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040319 3,3',4',7-Tetrahydroxyflavanone, 7-Me ether, 3-Ac C18H16O7 344.089602 NA MeJP NA NA +MJ040320 3,4',5,6,7-Pentahydroxyflavone; 3,5,7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040321 3,4',5,6,7-Pentahydroxyflavone; 3,6,7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040322 3,4',5,6,7-Pentahydroxyflavone; 4',6,7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040323 3,4',5,6,7-Pentahydroxyflavone; 5,6,7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040324 3,4',5,6,8-Pentahydroxyflavone; 3,6,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040325 3,4',5,7,8-Pentahydroxyflavone; 3,4',7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040326 3,4',5,7,8-Pentahydroxyflavone; 3,7,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040327 3,4',5,7,8-Pentahydroxyflavone; 4',7,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040328 3,4',5,7-Tetrahydroxyflavanone, 4'-Me ether, 3-Ac C18H16O7 344.089602 NA MeJP NA NA +MJ040329 3,4',5,7-Tetrahydroxyflavanone, 7-Me ether, 3-Ac C18H16O7 344.089602 NA MeJP NA NA +MJ040330 3,4,8,9,10-Pentahydroxypterocarpene; 3,8,9-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040331 3,5,6,7,8-Pentahydroxyflavone; 3,6,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040332 3,5,6,7,8-Pentahydroxyflavone; 6,7,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040333 3,5-Dihydroxy-3',4',7-trimethoxyflavone C18H16O7 344.089602 NA MeJP NA NA +MJ040334 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, [3-(3,4-Dihydroxyphenyl)-2-oxopropyl] ester C18H16O7 344.089602 NA MeJP NA NA +MJ040335 4',5,6,7,8-Pentahydroxyflavone; 4',6,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040336 4',5,6,7,8-Pentahydroxyflavone; 4',7,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040337 4',5,6,7,8-Pentahydroxyflavone; 6,7,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040338 4',5,6,7,8-Pentahydroxyisoflavone; 4',6,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040339 4,4a-Dihydro-4,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-4a-carboxylic acid; 4-Ac, Me ester C18H16O7 344.089602 NA MeJP NA NA +MJ040340 4-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-2H-1-benzopyran-2-one; 4',5,7-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040341 4-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-2H-1-benzopyran-2-one; 5,7,8-Tri-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040342 5,7-Dihydroxy-3',4',6-trimethoxyflavone C18H16O7 344.089602 NA MeJP NA NA +MJ040343 5,7-Dihydroxy-3,4',6-trimethoxyflavone C18H16O7 344.089602 NA MeJP NA NA +MJ040344 5,7-Dihydroxy-3,4',8-trimethoxyflavone C18H16O7 344.089602 NA MeJP NA NA +MJ040345 Aflatoxin B1, 15,16-Dihydro, 16-methoxy C18H16O7 344.089602 NA MeJP NA NA +MJ040346 Amarbelin C18H16O7 344.089602 NA MeJP NA NA +MJ040347 Antibiotic FR 901235 C18H16O7 344.089602 NA MeJP NA NA +MJ040348 Antibiotic UCF 76B C18H16O7 344.089602 NA MeJP NA NA +MJ040349 Arizonin C1 C18H16O7 344.089602 NA MeJP NA NA +MJ040350 Boeravinone C C18H16O7 344.089602 NA MeJP NA NA +MJ040351 Breverin C18H16O7 344.089602 NA MeJP NA NA +MJ040352 Erdin, Bis(dechloro), Me ether, Me ester C18H16O7 344.089602 NA MeJP NA NA +MJ040353 Gliricidol; 2-Methoxy C18H16O7 344.089602 NA MeJP NA NA +MJ040354 Hypoprotocetraric acid C18H16O7 344.089602 NA MeJP NA NA +MJ040355 Irispurinol; 9-Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040356 Isousnic acid C18H16O7 344.089602 NA MeJP NA NA +MJ040357 Nidulalin A; 5-Ac C18H16O7 344.089602 NA MeJP NA NA +MJ040358 Norisonotatic acid; Me ether C18H16O7 344.089602 NA MeJP NA NA +MJ040359 Notatic acid C18H16O7 344.089602 NA MeJP NA NA +MJ040360 Pannaric acid; 9-Me ether, 2-Me ester C18H16O7 344.089602 NA MeJP NA NA +MJ040361 Psorospermindiol; O-De-Me C18H16O7 344.089602 NA MeJP NA NA +MJ040362 Sclerodin; 8-Hydroxy C18H16O7 344.089602 NA MeJP NA NA +MJ040363 Usnic acid C18H16O7 344.089602 NA MeJP NA NA +MetaCyc03051 (S)-usnate [usnic acid;usniacin;usnein;usno;usninsaeure;] C18H16O7 344.089603 NA metacyc NA NA +MetaCyc03052 caffeoyl-4'-hydroxyphenyllactate [caffeoyl-4'-hydroxyphenyllactic acid;] C18H16O7 344.089603 NA metacyc NA NA +MetaCyc03053 4-coumaroyl-3',4'-dihydroxyphenyllactate [4-coumaroyl-3',4'-dihydroxyphenyllactic acid;] C18H16O7 344.089603 NA metacyc NA NA +MetaCyc03054 35-dihydroxy-347-trimethoxyflavone [] C18H16O7 344.089603 NA metacyc NA NA +MJ040364 Arfendazam C18H17ClN2O3 344.09277 NA MeJP NA NA +MJ040365 Photolumazine B C12H16N4O8 344.096813 NA MeJP NA NA +MJ040366 Griseolutein B C17H16N2O6 344.100836 NA MeJP NA NA +C11206 p-Methylaminophenol sulfate C19H17N9O5S2 344.1042 NA KEGG NA NA +MJ040367 Carpetimycin A; 1',2'-Dihydro C14H20N2O6S 344.104207 NA MeJP NA NA +FL3F29ND0001 Sanaganone;10,10-Dimethyl-5-phenyl-furo[2',3':5,6]benzo[1,2-b:4,3-b']dipyran-7(10H)-one C22H16O4 344.10485 169790-22-1 knapsack NA NA +MJ040368 Sanaganone C22H16O4 344.104859 NA MeJP NA NA +C06922 Clotrimazole C22H17ClN2 344.108 NA KEGG NA NA +C13784 TRAM-34 C22H17ClN2 344.108 NA KEGG NA NA +MJ040369 Clotrimazole C22H17ClN2 344.108026 NA MeJP NA NA +MJ040370 Lombazole C22H17ClN2 344.108026 NA MeJP NA NA +HMDB01922 Clotrimazole C22H17ClN2 344.10803 http://www.hmdb.ca/metabolites/HMDB01922 HMDB NA NA +HMDB01922 Clotrimazole C22H17ClN2 344.10803 HMDB01922 PFEM_hmdb_metabocards_official NA NA +HMDB01922 Clotrimazole C22H17ClN2 344.108032 NA HMDB2010 NA NA +MJ040371 2',4',6'-Trihydroxyacetophenone; 2'-Me ether, 4'-O-?-D-glucopyranoside C15H20O9 344.110732 NA MeJP NA NA +MJ040372 2',4',6'-Trihydroxyacetophenone; 2'-Me ether, 6'-O-?-D-glucopyranoside C15H20O9 344.110732 NA MeJP NA NA +MJ040373 2',4',6'-Trihydroxyacetophenone; 4'-Me ether, O-?-D-glucopyranoside C15H20O9 344.110732 NA MeJP NA NA +MJ040374 3,4-Dihydroxybenzoic acid; 3-Me ether, 4-O-(2-O-methyl-?-D-glucopyranoside) C15H20O9 344.110732 NA MeJP NA NA +MJ040375 Isoaucubigenin; 10-Aldehyde, 1-O-?-D-glucopyranoside C15H20O9 344.110732 NA MeJP NA NA +MJ040376 Teuhircoside C15H20O9 344.110732 NA MeJP NA NA +MJ040377 Clorotepine C19H21ClN2S 344.111397 NA MeJP NA NA +MJ040378 Nifurquinazol C16H16N4O5 344.112069 NA MeJP NA NA +HMDB01513 Dolichyl diphosphate C12H26O7P2 344.115387 NA HMDB2010 NA NA +HMDB01513 Dolichyl diphosphate C12H26O7P2 344.11539 http://www.hmdb.ca/metabolites/HMDB01513 HMDB NA NA +HMDB01513 Dolichyl diphosphate C12H26O7P2 344.11539 HMDB01513 PFEM_hmdb_metabocards_official NA NA +MJ040379 Gambirtannine; 21-Oxo C21H16N2O3 344.116092 NA MeJP NA NA +MJ040380 Neooxygambirtannine C21H16N2O3 344.116092 NA MeJP NA NA +CJneg0545 N2-methylguanosine [(M-H)+(HCOOH)]- (13C) C1113CH16N5O7 344.116725 C18rt(min)=4.52 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0545 N2-methylguanosine [(M-H)+(HCOOH)]- (13C) C1113CH16N5O7 344.116725 C18rt(min)=4.52 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ040381 Streptidine 6-phosphate C8H21N6O7P 344.120933 NA MeJP NA NA +FL1C3CNS0003 Okanin 3,4,3',4'-tetramethyl ether C19H20O6 344.12598 94285-19-5 knapsack NA NA +FL1CA8NS0003 2'-Hydroxy-2,3,4',6'-tetramethoxychalcone C19H20O6 344.12598 76554-75-1 knapsack NA NA +FL1CALNS0002 Cerasidin C19H20O6 344.12598 64200-22-2 knapsack NA NA +FL1CDFNS0001 2'-Hydroxy-3,4,4',6'-tetramethoxychalcone C19H20O6 344.12598 10496-67-0 knapsack NA NA +FL1CEANS0003 6'-Hydroxy-4,2',3',4'-tetramethoxychalcone C19H20O6 344.12598 41929-26-4 knapsack NA NA +FL1CG9NS0003 3'-Hydroxy-2',4',5',6'-tetramethoxychalcone C19H20O6 344.12598 80405-08-9 knapsack NA NA +FL1CG9NS0004 Kanakugiol C19H20O6 344.12598 57499-44-2 knapsack NA NA +FL1DDCNS0001 2',4',6'-Trimethoxy-3,4-methylenedioxydihydrochalcone C19H20O6 344.12598 622851-66-5 knapsack NA NA +FL1DHYNS0002 Dihydroisomilletenone methyl ether C19H20O6 344.12598 96400-41-8 knapsack NA NA +FL1DHYNS0003 Dihydromilletenone methyl ether C19H20O6 344.12598 96400-40-7 knapsack NA NA +FL2FA8NS0011 5,7,2',5'-Tetramethoxyflavanone C19H20O6 344.12598 85486-95-9 knapsack NA NA +FL2FALNS0002 Arjunone C19H20O6 344.12598 56317-22-7 knapsack NA NA +FL2FCFNM0001 5-Hydroxy-7,3',4'-trimethoxy-6-C-methylflavanone C19H20O6 344.12598 151649-33-1 knapsack NA NA +FL2FDENM0001 3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone C19H20O6 344.12598 86890-96-2 knapsack NA NA +FL2FEANS0003 5,6,7,4'-Tetramethoxyflavanone C19H20O6 344.12598 72943-90-9 knapsack NA NA +FL2FG9NS0004 Kanakugin C19H20O6 344.12598 57499-45-3 knapsack NA NA +FL6FALNM0001 5,2'-Dihydroxy-7-methoxy-6,8-dimethyl-4',5'-methylenedioxyflavan C19H20O6 344.12598 75679-61-7 knapsack NA NA +MJ040382 1,2,3,5,6,7-Hexahydroxyphenanthrene; 1,2,3,5,7-Penta-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040383 15,16-Epoxy-19-nor-4,13(16),14-clerodatriene-18,6:20,12-diolide, 2?-Hydroxy C19H20O6 344.125988 NA MeJP NA NA +MJ040384 15,16-Epoxy-6-hydroxy-19-nor-13(16),14-clerodadiene-17,12:18,2-diolide, 6-Ketone C19H20O6 344.125988 NA MeJP NA NA +MJ040385 2',3',4',5',6'-Pentahydroxychalcone; 2',3',4',5'-Tetra-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040386 2',3',4',5',6'-Pentahydroxychalcone; 2',3',4',6'-Tetra-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040387 2',3',4,4',6'-Pentahydroxychalcone; 2',3',4,4'-Tetra-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040388 2',3,3',4,4'-Pentahydroxychalcone, 3,3',4,4'-Tetra-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040389 2',3,4,4',6'-Pentahydroxychalcone; 2',3,4,4'-Tetra-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040390 2',4',5,5',7-Pentahydroxy-6,8-dimethylflavan; 7-Me, 4',5'-methylene ether C19H20O6 344.125988 NA MeJP NA NA +MJ040391 2',4',5,7-Tetrahydroxyflavanone, Tetra-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040392 2,2',4,4',6'-Pentahydroxychalcone; 2,2',4,4'-Tetra-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040393 2,3-Dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, 1'-O-(3-Methyl-2-butenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040394 2,3-Dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, 3-O-(3-Methyl-2-butenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040395 2,3-Dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, 1'-O-Angeloyl C19H20O6 344.125988 NA MeJP NA NA +MJ040396 2-(1,2-Dihydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one, 1'-O-(3-Methyl-2-butenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040397 2-(1,2-Dihydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one, 2'-O-(3-Methyl-2-butenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040398 3',4',5,7-Tetrahydroxy-6-methylflavanone, 3',4',7-Tri-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040399 3',4',5,7-Tetrahydroxy-8-methylflavanone, 4',5,7-Tri-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040400 3',4',7,8-Tetrahydroxyflavanone, Tetra-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040401 3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040402 3,3',4',7-Tetrahydroxyflavanone, 3,3',4',7-Tetra-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040403 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-Ketone, 8-O-(2-hydroxymethylpropenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040404 3-(3,4-Dihydroxybenzyl)-5,7-dihydroxyphthalide; Tetra-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040405 3-(3,4-Dihydroxyphenyl)-1-propanol; 1-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) C19H20O6 344.125988 NA MeJP NA NA +MJ040406 4',5,6,7-Tetrahydroxyflavanone, Tetra-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040407 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3'-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040408 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 5-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040409 5,6,7,8-Tetrahydroxyflavanone, Tetra-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040410 5,6,7-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 4',5,7-Tri-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040411 5,6,7-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 5,6,7-Tri-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040412 5,7,8-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone; 4',5,7-Tri-Me ether C19H20O6 344.125988 NA MeJP NA NA +MJ040413 5,8-Dihydroxy-14-oxo-1(10),4(15),11(13)-germacratrien-12,6-olide, 8,9-Didehydro(E), 8-(2-methylpropenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040414 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-Propanoyl C19H20O6 344.125988 NA MeJP NA NA +MJ040415 8,9-Dihydroxy-1(10),2,4(15),11(13)-guaiatetraen-12,6-olide, Di-Ac C19H20O6 344.125988 NA MeJP NA NA +MJ040416 8-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,2-diolide, 2-Methyl-2-propenoyl C19H20O6 344.125988 NA MeJP NA NA +MJ040417 Antibiotic SF 2315B C19H20O6 344.125988 NA MeJP NA NA +MJ040418 Asadanin C19H20O6 344.125988 NA MeJP NA NA +MJ040419 Aviprin, 2',3'-O-Isopropylidene C19H20O6 344.125988 NA MeJP NA NA +MJ040420 Coleon B C19H20O6 344.125988 NA MeJP NA NA +MJ040421 Decursidinol, 3'-O-Angeloyl C19H20O6 344.125988 NA MeJP NA NA +MJ040422 Decursidinol, 3'-O-(3-Methyl-2-butenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040423 Decursidinol, 4'-Angeloyl C19H20O6 344.125988 NA MeJP NA NA +MJ040424 Decursidinol, 4'-O-(3-Methyl-2-butenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040425 Dihydrooroselol, 9-Hydroxy, 3'-O-(2-methyl-2-butenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040426 Dihydrooroselol, O-(2R,3R-Epoxy-2-methylbutanoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040427 Diosbulbin B C19H20O6 344.125988 NA MeJP NA NA +MJ040428 Echinone C19H20O6 344.125988 NA MeJP NA NA +MJ040429 Elmycin A C19H20O6 344.125988 NA MeJP NA NA +MJ040430 Excavatin D, 2'?,3'?-Epoxide, 6',7'-dihydro C19H20O6 344.125988 NA MeJP NA NA +MJ040431 Excavatin D, 4'?-Hydroxy, 6',7'?-dihydro C19H20O6 344.125988 NA MeJP NA NA +MJ040432 Excavatin D, 7'?-Hydroxy, 6',7'-dihydro C19H20O6 344.125988 NA MeJP NA NA +MJ040433 Excavatin D, 7'R-Hydroxy, 6',7'-dihydro C19H20O6 344.125988 NA MeJP NA NA +MJ040434 Greveichromenol; 9-O-(2-Methylpropanoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040435 Heraclenol, O-Isopropylidene C19H20O6 344.125988 NA MeJP NA NA +MJ040436 Hermandiol; 4'-O-(2-Methyl-2-butenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040437 Khellactone, 9-O-(3-Methyl-2-butenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040438 Khellactone, 10-Angeloyl C19H20O6 344.125988 NA MeJP NA NA +MJ040439 Khellactone, 10-O-(3-Methyl-2-butenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040440 Khellactone, 10-Tigloyl C19H20O6 344.125988 NA MeJP NA NA +MJ040441 Khellactone, 9-Angeloyl C19H20O6 344.125988 NA MeJP NA NA +MJ040442 Khellactone, 9-O-(3-Methyl-2-butenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040443 Khellactone, 9-Tigloyl C19H20O6 344.125988 NA MeJP NA NA +MJ040444 Khellactone, 9-O-(3-Methyl-2-butenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040445 Khellactone, 10-Tigloyl C19H20O6 344.125988 NA MeJP NA NA +MJ040446 Khellactone, 9-Angeloyl C19H20O6 344.125988 NA MeJP NA NA +MJ040447 Khellactone, 10-Angeloyl C19H20O6 344.125988 NA MeJP NA NA +MJ040448 Khellactone, 10-O-(3-Methyl-2-butenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040449 Khellactone, 9-O-(3-Methyl-2-butenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040450 Marshalliachromone; 5'-O-(2-Methylpropanoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040451 Milletenone; O1-Me, 2,3-dihydro C19H20O6 344.125988 NA MeJP NA NA +MJ040452 Milletenone; O3-Me, 2,3-dihydro C19H20O6 344.125988 NA MeJP NA NA +MJ040453 Monankarin E C19H20O6 344.125988 NA MeJP NA NA +MJ040454 Obovatinal C19H20O6 344.125988 NA MeJP NA NA +MJ040455 Pinoresinol, 7'-Epimer, O3-de-Me C19H20O6 344.125988 NA MeJP NA NA +MJ040456 Protobruceol I; ?2'-Isomer (E)-, 4'-hydroperoxy C19H20O6 344.125988 NA MeJP NA NA +MJ040457 Protobruceol I; ?4'-Isomer, 3'-hydroperoxy C19H20O6 344.125988 NA MeJP NA NA +MJ040458 Teucrin A C19H20O6 344.125988 NA MeJP NA NA +MJ040459 Teucrin H1 C19H20O6 344.125988 NA MeJP NA NA +MJ040460 Teucrin H4 C19H20O6 344.125988 NA MeJP NA NA +MJ040461 Vaginidiol; 1''-O-(3-Methyl-2-butenoyl) C19H20O6 344.125988 NA MeJP NA NA +MJ040462 Vaginidiol; 3'-Angeloyl C19H20O6 344.125988 NA MeJP NA NA +C09353 Calaxin C19H20O6 344.126 NA KEGG NA NA +C09388 Deoxyelephantopin C19H20O6 344.126 NA KEGG NA NA +C10338 Echinone C19H20O6 344.126 NA KEGG NA NA +C15118 2,3-Dihydro-2-(4-methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4- C19H20O6 344.126 NA KEGG NA NA +MJ040463 1-O-D-Glucopyranosyl-D-mannitol C12H24O11 344.131861 NA MeJP NA NA +MJ040464 3-O-?-D-Galactofuranosyl-D-mannitol C12H24O11 344.131861 NA MeJP NA NA +MJ040465 3-O-?-D-Glucopyranosyl-D-mannitol C12H24O11 344.131861 NA MeJP NA NA +MJ040466 4-O-?-D-Glucopyranosyl-D-glucitol C12H24O11 344.131861 NA MeJP NA NA +MJ040467 Clusianose C12H24O11 344.131861 NA MeJP NA NA +MJ040468 Lactitol C12H24O11 344.131861 NA MeJP NA NA +MetaCyc03055 1-O-β-D-glucopyranosyl-D-mannitol [GPM;isomalt;] C12H24O11 344.131862 NA metacyc NA NA +MetaCyc03056 lactitol [lactitolum;4-O-β-D-galactopyranosyl-D-glucitol;] C12H24O11 344.131862 585-86-4 metacyc NA NA +HMDB02928 Maltitol C12H24O11 344.131866 NA HMDB2010 NA NA +HMDB06791 Melibiitol C12H24O11 344.131866 NA HMDB2010 NA NA +HMDB02928 Maltitol C12H24O11 344.13187 http://www.hmdb.ca/metabolites/HMDB02928 HMDB NA NA +HMDB06791 Melibiitol C12H24O11 344.13187 http://www.hmdb.ca/metabolites/HMDB06791 HMDB NA NA +HMDB02928 Maltitol C12H24O11 344.13187 HMDB02928 PFEM_hmdb_metabocards_official NA NA +HMDB06791 Melibiitol C12H24O11 344.13187 HMDB06791 PFEM_hmdb_metabocards_official NA NA +C05399 Melibiitol C12H24O11 344.1319 NA KEGG NA NA +C08254 Clusianose C12H24O11 344.1319 NA KEGG NA NA +PJ000407 PND C13H20N4O7 344.1332 NA PeJP NA NA +PJ000408 YY C18H20N2O5 344.1372 NA PeJP NA NA +MJ040469 Methiomeprazine C19H24N2S2 344.13809 NA MeJP NA NA +C11652 8-Epiiridotrial glucoside C16H24O8 344.1471 NA KEGG NA NA +C11653 Iridotrial glucoside C16H24O8 344.1471 NA KEGG NA NA +MJ040470 1,4,5,8,10,13-Hexahydroxy-7(11)-muurolen-12,6-olide, 13-Me ether C16H24O8 344.147117 NA MeJP NA NA +MJ040471 1,8-Dihydroxy-2-pinen-4-one, 1-O-?-D-Glucopyranoside C16H24O8 344.147117 NA MeJP NA NA +MJ040472 1,8-Dihydroxy-2-pinen-4-one, 8-O-?-D-Glucopyranoside C16H24O8 344.147117 NA MeJP NA NA +MJ040473 1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-Me ether, 1-O-?-D-glucopyranoside C16H24O8 344.147117 NA MeJP NA NA +MJ040474 1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-Me ether, 2-O-?-D-glucopyranoside C16H24O8 344.147117 NA MeJP NA NA +MJ040475 1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-Me ether, 1-O-?-D-glucopyranoside C16H24O8 344.147117 NA MeJP NA NA +MJ040476 1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-Me ether, 2-O-?-D-glucopyranoside C16H24O8 344.147117 NA MeJP NA NA +MJ040477 2,6-Dimethyl-2,6-octadiene-1,8-diol, 1-Carboxylic acid, 8-aldehyde, ?-D-glucopyranosyl ester C16H24O8 344.147117 NA MeJP NA NA +MJ040478 3-(3,4-Dihydroxyphenyl)-1-propanol; 3'-Me ether, 1-O-?-D-glucopyranoside C16H24O8 344.147117 NA MeJP NA NA +MJ040479 3-(3,4-Dihydroxyphenyl)-1-propanol; 3'-Me ether, 4'-O-?-D-glucopyranoside C16H24O8 344.147117 NA MeJP NA NA +MJ040480 4-(3,4-Dihydroxyphenyl)-2-butanol, 1-O-?-D-Glucopyranoside C16H24O8 344.147117 NA MeJP NA NA +MJ040481 6-(1-Methylpropyl)-1,2,4-benzenetriol, 1-O-?-D-Glucopyranoside C16H24O8 344.147117 NA MeJP NA NA +MJ040482 Boschnaloside C16H24O8 344.147117 NA MeJP NA NA +MJ040483 Illicinolide A C16H24O8 344.147117 NA MeJP NA NA +MJ040484 Nepetaracemoside A C16H24O8 344.147117 NA MeJP NA NA +MetaCyc03057 dihydroconiferyl alcohol glucoside [dihydroconiferyl alcohol-4-O-β-D-glucopyranoside;] C16H24O8 344.147118 NA metacyc NA NA +MJ040485 Piketoprofen C22H20N2O2 344.152477 NA MeJP NA NA +MJ040486 Trengestone C21H25ClO2 344.154307 NA MeJP NA NA +MJ040487 Palythine; 3-N-(1-Carboxy-2-methylpropyl) C15H24N2O7 344.158351 NA MeJP NA NA +MJ040488 1,10-Epoxy-8-hydroxy-2,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040489 1,12-Dihydroxy-15-oxo-9(11),16-kauradien-19-oic acid, 1-Ketone C20H24O5 344.162373 NA MeJP NA NA +MJ040490 1,3,5,7(14),10-Bisabolapentaene-1,2,4,8-tetrol; 1,4-Quinone, 8-angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040491 1,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-Tigloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040492 1,8-Dihydroxy-3,9,11(13)-guaiatrien-12,6-olide, 8-Tigloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040493 1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 1-Ketone, 8-angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040494 10-(3,4-Dihydroxyphenyl)-3,5,7-decatrien-1-ol, 1,3'-Di-Ac C20H24O5 344.162373 NA MeJP NA NA +MJ040495 10-(3,4-Dihydroxyphenyl)-3,5,7-decatrien-1-ol, 1,4'-Di-Ac C20H24O5 344.162373 NA MeJP NA NA +MJ040496 11,12-Dihydroxy-6-oxo-8,11,13-abietatrien-20,7-olide C20H24O5 344.162373 NA MeJP NA NA +MJ040497 11-Hydroxy-1-oxo-2,4-eudesmadien-12,6-olide; Angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040498 11-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, O-(3-Methyl-2-butenoyl) C20H24O5 344.162373 NA MeJP NA NA +MJ040499 11-Hydroxy-2-oxo-3,9-pseudoguaiadien-12,6-olide, Angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040500 11-Hydroxy-3,7,12(20),15(17)-cembratetraene-16,2:19,6-diolide C20H24O5 344.162373 NA MeJP NA NA +MJ040501 11-Hydroxy-3-oxo-1,4-eudesmadien-12,6-olide, 3-Methyl-2-butenoyl C20H24O5 344.162373 NA MeJP NA NA +MJ040502 11-Hydroxy-3-oxo-1,4-eudesmadien-12,6-olide, Angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040503 11-Hydroxy-3-oxo-1,4-eudesmadien-12,6-olide, Tigloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040504 11-Oxo-3,7,12(20),15(17)-cembratetraen-16,2-olid-19-oic acid C20H24O5 344.162373 NA MeJP NA NA +MJ040505 12,16-Epoxy-6,11,14-trihydroxy-5,8,11,13-abietatetraen-7-one C20H24O5 344.162373 NA MeJP NA NA +MJ040506 12,17-Epoxy-17-hydroxystrictic acid C20H24O5 344.162373 NA MeJP NA NA +MJ040507 14(5?6)-Abeo-5,9-furanoeremophiladiene-9,14-diol, 9-Propanoyl, 14-Ac C20H24O5 344.162373 NA MeJP NA NA +MJ040508 15,16-Epoxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid C20H24O5 344.162373 NA MeJP NA NA +MJ040509 15,16-Epoxy-4-hydroxy-7-oxo-2,13(16),14-clerodatrien-18,19-olide C20H24O5 344.162373 NA MeJP NA NA +MJ040510 15,16-Epoxy-7-oxo-3,13(16),14-clerodatrien-18,19-olide; ent-form, 2?-Hydroxy C20H24O5 344.162373 NA MeJP NA NA +MJ040511 17-Hydroxy-3,13-clerodadiene-15,16:18,19-diolide, 17-Aldehyde C20H24O5 344.162373 NA MeJP NA NA +MJ040512 19(4?3)-Abeo-11,12,14-trihydroxy-3,8,11,13-abietatetraene-2,7-dione C20H24O5 344.162373 NA MeJP NA NA +MJ040513 2,3-Epoxy-1-hydroxy-4(15),11(13)-eudesmadien-12,6-olide, Angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040514 2,4-Dihydroxy-6-propylbenzoic acid; 4-Me ether, 3-hydroxy-5-propylphenyl ester C20H24O5 344.162373 NA MeJP NA NA +MJ040515 2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-Angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040516 2-(4-Allyl-2-hydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol; 2',3-Di-Me ether C20H24O5 344.162373 NA MeJP NA NA +MJ040517 2-Hydroxy-3,13-clerodadiene-16,15:17,19-diolide, 2-Ketone C20H24O5 344.162373 NA MeJP NA NA +MJ040518 3,3',4,4',7-Pentahydroxylignan, 7-Ketone, 3,3'-di-Me ether C20H24O5 344.162373 NA MeJP NA NA +MJ040519 3,3',4,4',7-Pentahydroxylignan, 3,4-Methylene, 3'-Me ether C20H24O5 344.162373 NA MeJP NA NA +MJ040520 3,3',4,4',7-Pentahydroxylignan, 3',4'-Methylene, 3-Me ether C20H24O5 344.162373 NA MeJP NA NA +MJ040521 3,4-Epoxy-2-hydroxy-1(10),11(13)-guaiadien-12,6-olide, Tigloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040522 3,4-Epoxy-8-hydroxy-1(10),11(13)-guaiadien-12,6-olide, 8-Angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040523 3,4-Epoxy-8-hydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-Angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040524 3,4:15,16-Diepoxy-2-hydroxy-13(16),14-clerodadien-20,12-olide, 1,10-Didehydro C20H24O5 344.162373 NA MeJP NA NA +MJ040525 3,4:15,16-Diepoxy-6-oxo-13(16),14-clerodadien-20,12-olide C20H24O5 344.162373 NA MeJP NA NA +MJ040526 3,4:15,16-Diepoxy-7-oxo-13(16),14-clerodadien-20,12-olide C20H24O5 344.162373 NA MeJP NA NA +MJ040527 3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 6-Angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040528 3,6-Dioxo-4,7,11,15-cembratetraen-20,10-olide, 4R,5S-Epoxide C20H24O5 344.162373 NA MeJP NA NA +MJ040529 3,7,11,15(17)-Cembratetraene-16,2:19,6-diolide, 11,12-Epoxide C20H24O5 344.162373 NA MeJP NA NA +MJ040530 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Ketone, 8-angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040531 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(3-Methyl-2-butenoyl) C20H24O5 344.162373 NA MeJP NA NA +MJ040532 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-Angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040533 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-Tigloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040534 3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 4'-Me ether, 1-O-(2-decene-4,6-diynoyl)(E-) C20H24O5 344.162373 NA MeJP NA NA +MJ040535 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1,4'-diangeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040536 3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-Me ether, 1-O-[2-(angeloyloxymethyl)-2Z-butenoyl] C20H24O5 344.162373 NA MeJP NA NA +MJ040537 3-Hydroxyfuranoeremophilan-15,6-olide, O-Angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040538 4,4'-Dihydroxy-3,3'-dimethoxy-7,7'-epoxylignan C20H24O5 344.162373 NA MeJP NA NA +MJ040539 4,4'-Dihydroxy-3,3'-dimethoxy-9,9'-epoxylignan C20H24O5 344.162373 NA MeJP NA NA +MJ040540 4,7-Epoxy-1,5-dihydro-8-hydroxy-11(13)-bourbonen-12,6-olide, 8-Tigloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040541 4,8-Dihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide, 8-Angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040542 4,8:12,20:15,16:19,20-Tetraepoxy-13(16),14-clerodadien-6-ol, 6-Ketone C20H24O5 344.162373 NA MeJP NA NA +MJ040543 4-(4,7-Epoxy-6-hydroxy-6,7-dihydrogeranyloxy)-5-methylcoumarin C20H24O5 344.162373 NA MeJP NA NA +MJ040544 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 4',10'-Dihydroxy C20H24O5 344.162373 NA MeJP NA NA +MJ040545 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 5',10'-Dihydroxy C20H24O5 344.162373 NA MeJP NA NA +MJ040546 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, ?7'-Isomer, 6',10'-dihydroxy C20H24O5 344.162373 NA MeJP NA NA +MJ040547 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Bis-O-(3-Methyl-2-butenyl), 5-Me ether C20H24O5 344.162373 NA MeJP NA NA +MJ040548 5,7-Dihydroxy-2H-1-benzopyran-2-one; 5-O-(6-Hydroxy-3,7-dimethyl-2,7-octadienyl), 7-O-Me C20H24O5 344.162373 NA MeJP NA NA +MJ040549 5,7-Dihydroxy-8-prenylcoumarin; 5-Me ether, 7-O-(3-methyl-2-butenyl), 2',3'-epoxide C20H24O5 344.162373 NA MeJP NA NA +MJ040550 5,7-Dihydroxy-8-prenylcoumarin; 7-Me ether, 5-O-(3-methyl-2-butenyl), 2',3'-epoxide C20H24O5 344.162373 NA MeJP NA NA +MJ040551 6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(7-Hydroxy-3,7-dimethyl-2,5-octadienyl), 6-Me ether C20H24O5 344.162373 NA MeJP NA NA +MJ040552 6-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, Angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040553 6-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, Tigloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040554 6-Hydroxyfuranoeremophil-1(10)-en-9-one, 1?,10?-Epoxide, O-(3-methyl-2-butenoyl) C20H24O5 344.162373 NA MeJP NA NA +MJ040555 6-Hydroxyfuranoeremophil-1(10)-en-9-one, 1?,10?-Epoxide, O-tigloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040556 6-Hydroxyfuranoeremophil-1(10)-en-9-one, O-(2,3-Epoxy-3-methylbutanoyl) C20H24O5 344.162373 NA MeJP NA NA +MJ040557 7,12-Epoxy-3,13-clerodadiene-15,16:18,6-diolide C20H24O5 344.162373 NA MeJP NA NA +MJ040558 7,12:15,16-Diepoxy-3,13(16),14-clerodatrien-18,6-olide, 3?,4?-Epoxide C20H24O5 344.162373 NA MeJP NA NA +MJ040559 7,20-Epoxy-6,7,15-trihydroxy-2,16-kauradien-1-one, 15-Ketone C20H24O5 344.162373 NA MeJP NA NA +MJ040560 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(5-Hydroxy-3,7-dimethyl-2,6-octadienyl), 8-Me ether C20H24O5 344.162373 NA MeJP NA NA +MJ040561 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(6,7-Epoxy-3,7-dimethyl-2-octenyl)(2E,6?-), O8-Me C20H24O5 344.162373 NA MeJP NA NA +MJ040562 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)(2E,6S-), O8-Me C20H24O5 344.162373 NA MeJP NA NA +MJ040563 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(7-Hydroxy-3,7-dimethyl-2,5-octadienyl)(E,E-), O8-Me C20H24O5 344.162373 NA MeJP NA NA +MJ040564 7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(6,7-Epoxy-3-methylene-7-methyloctyl), O7-Me C20H24O5 344.162373 NA MeJP NA NA +MJ040565 7-Hydroxy-3,12,14-clerodatriene-16,15:18,6-diolide C20H24O5 344.162373 NA MeJP NA NA +MJ040566 7-Hydroxy-3,13-clerodadiene-16,15:18,19-diolide, 7-Ketone C20H24O5 344.162373 NA MeJP NA NA +MJ040567 8,12-Epoxy-3,13-clerodadiene-15,16:18,19-diolide C20H24O5 344.162373 NA MeJP NA NA +MJ040568 8,9-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-Tigloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040569 8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, O-(2-Hydroxymethyl-2Z-butenoyl) C20H24O5 344.162373 NA MeJP NA NA +MJ040570 8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, Tigloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040571 8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Methyl-2-butenoyl) C20H24O5 344.162373 NA MeJP NA NA +MJ040572 8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040573 8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, Angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040574 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040575 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-(3-methyl-2-butenoyl) C20H24O5 344.162373 NA MeJP NA NA +MJ040576 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040577 8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, O-(4-Hydroxy-2-methyl-2E-butenoyl) C20H24O5 344.162373 NA MeJP NA NA +MJ040578 9,10-Dihydroxy-1,3,11(13)-guaiatrien-12,6-olide, 9-Tigloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040579 9-Hydroxyfuranoeremophilan-15,6-olide, Angeloyl C20H24O5 344.162373 NA MeJP NA NA +MJ040580 9-Hydroxylasiolaenolide; 9-Aldehyde C20H24O5 344.162373 NA MeJP NA NA +MJ040581 Antibiotic 55B; 7-Deoxo C20H24O5 344.162373 NA MeJP NA NA +MJ040582 Antibiotic X 14881B; 5,6-Dihydro C20H24O5 344.162373 NA MeJP NA NA +MJ040583 Betolide C20H24O5 344.162373 NA MeJP NA NA +MJ040584 Caniojane C20H24O5 344.162373 NA MeJP NA NA +MJ040585 Cernuanone; (E)-4-Methyl-2-pentenoyl C20H24O5 344.162373 NA MeJP NA NA +MJ040586 Clutiolide; 2,3-Dihydro C20H24O5 344.162373 NA MeJP NA NA +MJ040587 Columbaridione C20H24O5 344.162373 NA MeJP NA NA +MJ040588 Coralloidolide C C20H24O5 344.162373 NA MeJP NA NA +MJ040589 Coralloidolide E C20H24O5 344.162373 NA MeJP NA NA +MJ040590 Coralloidolide F C20H24O5 344.162373 NA MeJP NA NA +MJ040591 Crotofolin A C20H24O5 344.162373 NA MeJP NA NA +MJ040592 Deacetylshikonofuran A; 11-O-(2-Methylpropanoyl) C20H24O5 344.162373 NA MeJP NA NA +MJ040593 Eriocalyxin A C20H24O5 344.162373 NA MeJP NA NA +MJ040594 Eriostemoic acid C20H24O5 344.162373 NA MeJP NA NA +MJ040595 Eriostoic acid C20H24O5 344.162373 NA MeJP NA NA +MJ040596 Gibberellin A9; 9,11-Didehydro, 12?-hydroxy, Me ester C20H24O5 344.162373 NA MeJP NA NA +MJ040597 Haplomitrenolide A; 9?-Hydroxy C20H24O5 344.162373 NA MeJP NA NA +MJ040598 Hebeclinolide; 6à H-form, 2?-Hydroxy C20H24O5 344.162373 NA MeJP NA NA +MJ040599 Hebeclinolide; 6à H-form, 6-Hydroxy C20H24O5 344.162373 NA MeJP NA NA +MJ040600 Isochiliolide lactone C20H24O5 344.162373 NA MeJP NA NA +MJ040601 Isomurralonginol; O-(3-Methylbutanoyl) C20H24O5 344.162373 NA MeJP NA NA +MJ040602 Laxiflorin A; 15-Ketone C20H24O5 344.162373 NA MeJP NA NA +MJ040603 Lomatin, O-Hexanoyl C20H24O5 344.162373 NA MeJP NA NA +MJ040604 Longirabdacetal; 19-Ketone (lactone) C20H24O5 344.162373 NA MeJP NA NA +MJ040605 Macrocalyxoformin B C20H24O5 344.162373 NA MeJP NA NA +MJ040606 Morinin A; 4'-Angeloyloxy C20H24O5 344.162373 NA MeJP NA NA +MJ040607 Morinin A; 5'-(3-Methyl-2-butenoyloxy) C20H24O5 344.162373 NA MeJP NA NA +MJ040608 Morinin A; 5'-Angeloyloxy C20H24O5 344.162373 NA MeJP NA NA +MJ040609 Murralonginol; 3-Methylbutanoyl C20H24O5 344.162373 NA MeJP NA NA +MJ040610 Murrangatin, 2'-Deoxy, 1'-O-(3-methylbutanoyl) C20H24O5 344.162373 NA MeJP NA NA +MJ040611 Myrocin B; 9-Deoxo C20H24O5 344.162373 NA MeJP NA NA +MJ040612 Nutanocoumarin C20H24O5 344.162373 NA MeJP NA NA +MJ040613 Piloselloidol; 9-O-(3-Methylbutanoyl) C20H24O5 344.162373 NA MeJP NA NA +MJ040614 Pinnatin C C20H24O5 344.162373 NA MeJP NA NA +MJ040615 Pinnatin E C20H24O5 344.162373 NA MeJP NA NA +MJ040616 Ptilostol; O-(3-Methyl-2-butenyl) C20H24O5 344.162373 NA MeJP NA NA +MJ040617 Rosmadial C20H24O5 344.162373 NA MeJP NA NA +MJ040618 Rosmanol; 11,12-Quinone C20H24O5 344.162373 NA MeJP NA NA +MJ040619 Safficinolide C20H24O5 344.162373 NA MeJP NA NA +MJ040620 Secochiliolide lactone C20H24O5 344.162373 NA MeJP NA NA +MJ040621 Sesibiricol C20H24O5 344.162373 NA MeJP NA NA +MJ040622 Terbufibrol C20H24O5 344.162373 NA MeJP NA NA +MJ040623 Teuvincenone A; 3-Deoxo C20H24O5 344.162373 NA MeJP NA NA +MJ040624 Teuvincenone G C20H24O5 344.162373 NA MeJP NA NA +MJ040625 Virolin; O4-De-Me C20H24O5 344.162373 NA MeJP NA NA +MJ040626 Welwitschic acid; 17-Oxo, 1,2-dihydro C20H24O5 344.162373 NA MeJP NA NA +MJ040627 Welwitschic acid; 17?-Hydroxy C20H24O5 344.162373 NA MeJP NA NA +MJ040628 Welwitschic acid; 17?-Hydroxy C20H24O5 344.162373 NA MeJP NA NA +3470 analogue of human b-CN (54-59) AEPIPY 344.165 MH2+ Inhouse_peptide NA peptide +MJ040629 Spiclamine C20H25ClN2O 344.165541 NA MeJP NA NA +MJ040630 Rhodotorulic acid C14H24N4O6 344.169584 NA MeJP NA NA +PJ000409 PTQ C14H24N4O6 344.1696 NA PeJP NA NA +MJ040631 Flualamide C17H23F3N2O2 344.171162 NA MeJP NA NA +C07805 Formoterol C19H24N2O4 344.1736 NA KEGG NA NA +C07806 Transferred to D00685 C19H24N2O4 344.1736 NA KEGG NA NA +MJ040632 Formoterol C19H24N2O4 344.173607 NA MeJP NA NA +MJ040633 Gelsedine; 14R-Hydroxy C19H24N2O4 344.173607 NA MeJP NA NA +MJ040634 Pipratecol C19H24N2O4 344.173607 NA MeJP NA NA +MJ040635 Stephadiamine C19H24N2O4 344.173607 NA MeJP NA NA +MJ040636 Tolamolol C19H24N2O4 344.173607 NA MeJP NA NA +C15066 alpha,alpha'-Diethyl-4,4'-bis(2-propynyloxy)stilbene C24H24O2 344.1776 NA KEGG NA NA +MJ040637 8-Hydroxy-9,10-dinor-4-megastigmen-3-one; O-?-D-Glucopyranoside C17H28O7 344.183503 NA MeJP NA NA +7568 ACE inhibitor KVREGT 344.1865 MH2+ Inhouse_peptide NA peptide +MJ040638 3-(1,3,4,5,12,12a-Hexahydro-2-methylpyrido[3,4-b]acridin-4a(2H)-yl)phenol C23H24N2O 344.188863 NA MeJP NA NA +3760 NA KPT 344.193 ACE inhibitor Inhouse_peptide NA peptide +MJ040639 1,10-Epoxyfuranoeremophilan-3-ol, 3-(3-Methyl-2-pentenoyl) C21H28O4 344.198759 NA MeJP NA NA +MJ040640 11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; enol-form, 14-Deoxy, 11-Me ether C21H28O4 344.198759 NA MeJP NA NA +MJ040641 11,14,16-Trihydroxy-7,9(11),13-abietatriene-6,12-dione, 16-Deoxy, O14-Me C21H28O4 344.198759 NA MeJP NA NA +MJ040642 11,17-Dihydroxypregna-1,4-diene-3,20-dione C21H28O4 344.198759 NA MeJP NA NA +MJ040643 12,20-Epoxy-3-hydroxy-14,17-pregn-5-ene-11,15-dione C21H28O4 344.198759 NA MeJP NA NA +MJ040644 15,16-Epoxy-2-oxo-3,13(16),14-clerodatrien-20-oic acid; ent-form, Me ester C21H28O4 344.198759 NA MeJP NA NA +MJ040645 15,16-Epoxy-20-oxo-8(17),13(16),14-labdatrien-19-oic acid; Me ester C21H28O4 344.198759 NA MeJP NA NA +MJ040646 15,16-Epoxy-8(17),13(16),14-labdatrien-19-oic acid, 12-Oxo, Me ester C21H28O4 344.198759 NA MeJP NA NA +MJ040647 16,20-Dihydroxy-3-oxopregn-4-en-18-oic acid 18,20-lactone C21H28O4 344.198759 NA MeJP NA NA +MJ040648 18(4?3)-Abeo-11,14-dihydroxy-3,8,11,13-abietatetraen-18-oic acid; 14-Me ether C21H28O4 344.198759 NA MeJP NA NA +MJ040649 19(4?3)-Abeo-11,12,14-trihydroxy-4(18),8,11,13-abietatetraen-7-one; 12-Me ether C21H28O4 344.198759 NA MeJP NA NA +MJ040650 2,3,12-Trihydroxypregna-4,7,16-trien-20-one C21H28O4 344.198759 NA MeJP NA NA +MJ040651 2,3,4-Trihydroxypregna-5,17-dien-19-oic acid, 19?2 Lactone C21H28O4 344.198759 NA MeJP NA NA +MJ040652 2,3,4-Trihydroxypregna-5,20-dien-19-oic acid, 19?2 Lactone C21H28O4 344.198759 NA MeJP NA NA +MJ040653 20(10?9)-Abeo-13-hydroxy-15-oxo-16-kauren-19,10-olide, Me ether C21H28O4 344.198759 NA MeJP NA NA +MJ040654 20,21-Dihydroxypregna-4,6-diene-3,12-dione C21H28O4 344.198759 NA MeJP NA NA +MJ040655 21-Hydroxypregn-4-ene-3,11,20-trione C21H28O4 344.198759 NA MeJP NA NA +MJ040656 3,11,12-Trihydroxy-8,11,13-abietatrien-7-one, 3-Ketone, 12-Me ether C21H28O4 344.198759 NA MeJP NA NA +MJ040657 3,3',4,4'-Tetrahydroxylignan, 3,3',4-Tri-Me ether C21H28O4 344.198759 NA MeJP NA NA +MJ040658 3,3',4,4'-Tetrahydroxylignan, 3,4,4'-Tri-Me ether C21H28O4 344.198759 NA MeJP NA NA +MJ040659 3,6-Dioxopregnan-18,20-olide C21H28O4 344.198759 NA MeJP NA NA +MJ040660 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, O-(3,7-Dimethyl-2,6-octadienyl), Me ester C21H28O4 344.198759 NA MeJP NA NA +MJ040661 5,12-Dihydroxy-8,12,15-abietatriene-11,14-dione; 5?-form, 5-Me ether C21H28O4 344.198759 NA MeJP NA NA +MJ040662 5,6-Epoxy-4-hydroxypregn-2-ene-1,20-dione C21H28O4 344.198759 NA MeJP NA NA +MJ040663 5-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1,2,4-benzenetriol; 1'-Oxo C21H28O4 344.198759 NA MeJP NA NA +MJ040664 5-Hydroxy-14(17)-vouacapen-19-oic acid; 5?-form, Me ester C21H28O4 344.198759 NA MeJP NA NA +MJ040665 6-Hydroxyfuranoeremophil-1(10)-en-9-one, O-(3-Methylpentanoyl) C21H28O4 344.198759 NA MeJP NA NA +MJ040666 6-Hydroxyfuranoeremophilan-9-one, 3-Methyl-2-pentenoyl C21H28O4 344.198759 NA MeJP NA NA +MJ040667 6a,7,8,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-6H-dibenzo[b,d]pyran-9-carboxylic acid C21H28O4 344.198759 NA MeJP NA NA +MJ040668 7,12-Dihydroxy-5,8,12-abietatriene-11,14-dione; 7?-form, 12-Me ether C21H28O4 344.198759 NA MeJP NA NA +MJ040669 9-Hydroxy-2,3-seco-4,7,10(14)-oplopatrien-3,2-olide, 9-(3-Methyl-2E-pentenoyl) C21H28O4 344.198759 NA MeJP NA NA +MJ040670 Anhydrohirundigenin C21H28O4 344.198759 NA MeJP NA NA +MJ040671 Aspergillodiol; 21-Aldehyde C21H28O4 344.198759 NA MeJP NA NA +MJ040672 Atratogenin A C21H28O4 344.198759 NA MeJP NA NA +MJ040673 Avarol; 2',5'-Quinone, 3',6'-dihydroxy C21H28O4 344.198759 NA MeJP NA NA +MJ040674 Boviquinone 3 C21H28O4 344.198759 NA MeJP NA NA +MJ040675 Capucinoic acid A C21H28O4 344.198759 NA MeJP NA NA +MJ040676 Dendryphiellin A; 8'-Deoxy C21H28O4 344.198759 NA MeJP NA NA +MJ040677 Formebolone C21H28O4 344.198759 NA MeJP NA NA +MJ040678 Furanoeremophil-1(10)-ene-3,6-diol, 6-(3-Methyl-2-pentenoyl) C21H28O4 344.198759 NA MeJP NA NA +MJ040679 Ganomycin A; 12-Deoxy C21H28O4 344.198759 NA MeJP NA NA +MJ040680 Holadysone C21H28O4 344.198759 NA MeJP NA NA +MJ040681 Hyatellaquinone; O-De-Me C21H28O4 344.198759 NA MeJP NA NA +MJ040682 Hyperguinone B C21H28O4 344.198759 NA MeJP NA NA +MJ040683 Hypoestene C21H28O4 344.198759 NA MeJP NA NA +MJ040684 Ialibinone A C21H28O4 344.198759 NA MeJP NA NA +MJ040685 Ilimaquinone; O-De-Me C21H28O4 344.198759 NA MeJP NA NA +MJ040686 Ircinin 3 C21H28O4 344.198759 NA MeJP NA NA +MJ040687 Membranolide C21H28O4 344.198759 NA MeJP NA NA +MJ040688 Puupehenol; 9?,15-Dihydro, 15-oxo C21H28O4 344.198759 NA MeJP NA NA +MJ040689 Sinapaldehyde, O-(3,7-Dimethyl-2,6-octadienyl) C21H28O4 344.198759 NA MeJP NA NA +MJ040690 Taiwaniaquinol A C21H28O4 344.198759 NA MeJP NA NA +MJ040691 Triandrin B C21H28O4 344.198759 NA MeJP NA NA +MJ040692 Turriculoic acid B C21H28O4 344.198759 NA MeJP NA NA +MJ040693 Untenospongin A C21H28O4 344.198759 NA MeJP NA NA +MJ040694 Vasinfectin A C21H28O4 344.198759 NA MeJP NA NA +MJ040695 onilide C21H28O4 344.198759 NA MeJP NA NA +MJ040696 11-Dehydrocorticosterone C21H28O4 344.198759 NA MeJP NA NA +HMDB04029 11-Dehydrocorticosterone C21H28O4 344.19876 http://www.hmdb.ca/metabolites/HMDB04029 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04029 11-Dehydrocorticosterone C21H28O4 344.19876 http://www.hmdb.ca/metabolites/HMDB04029 HMDB NA NA +HMDB04631 Formebolone C21H28O4 344.19876 http://www.hmdb.ca/metabolites/HMDB04631 HMDB NA NA +HMDB04029 11-Dehydrocorticosterone C21H28O4 344.19876 http://www.hmdb.ca/metabolites/HMDB04029 PFEM_hmdb_metabocards_blood NA blood +HMDB04029 11-Dehydrocorticosterone C21H28O4 344.19876 HMDB04029 PFEM_hmdb_metabocards_official NA NA +HMDB04631 Formebolone C21H28O4 344.19876 HMDB04631 PFEM_hmdb_metabocards_official NA NA +HMDB04029 11-Dehydrocorticosterone C21H28O4 344.198761 NA HMDB2010 NA NA +HMDB04631 Formebolone C21H28O4 344.198761 NA HMDB2010 NA NA +C05490 11-Dehydrocorticosterone C21H28O4 344.1988 NA KEGG NA NA +C14478 21-Deoxycortisone C21H28O4 344.1988 NA KEGG NA NA +C15135 3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate C21H28O4 344.1988 NA KEGG NA NA +C15208 Bisphenol A bis(2-hydroxypropyl) ether C21H28O4 344.1988 NA KEGG NA NA +EUR382 Cortisol F2 F2 344.200075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR382 Cortisol F2 NA 344.200075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR382 Cortisol F2 F2 344.200075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR382 Cortisol F2 NA 344.200075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR382 Cortisol F2 F2 344.200075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR382 Cortisol F2 NA 344.200075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR382 Cortisol F2 F2 344.200075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR382 Cortisol F2 F2 344.200075 standards wishlist analysés sur QTOF HMDB NA NA +EUR382 Cortisol F2 F2 344.200075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR382 Cortisol F2 NA 344.200075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR382 Cortisol F2 F2 344.200075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR382 Cortisol F2 F2 344.200075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ040697 Bhesine C22H24N4 344.200096 NA MeJP NA NA +MJ040698 Glomerulatine A; 1,2?-Dihydro C22H24N4 344.200096 NA MeJP NA NA +PJ000410 PTK C15H28N4O5 344.206 NA PeJP NA NA +2606 synthetic peptide inhibitors of (PEP) HLPLPL 344.207 MH2+ Inhouse_peptide NA peptide +2667 synthetic fr, of human beta-CN (124-129) ACE inhibitor LHLPLP 344.207 MH2+ Inhouse_peptide NA peptide +MJ040699 10-Methoxydihydrocorynantheol; 4?-N-Oxide C20H28N2O3 344.209992 NA MeJP NA NA +MJ040700 10-Methoxydihydrocorynantheol; 4?-N-Oxide C20H28N2O3 344.209992 NA MeJP NA NA +MJ040701 Multiflorine; 13?-Tigloyloxy C20H28N2O3 344.209992 NA MeJP NA NA +MJ040702 Ochromianoxine C20H28N2O3 344.209992 NA MeJP NA NA +MJ040703 Oxyphencyclimine C20H28N2O3 344.209992 NA MeJP NA NA +C07851 Oxyphencyclimine C20H28N2O3 344.21 NA KEGG NA NA +PJ000411 GLR C14H28N6O4 344.2172 NA PeJP NA NA +8105 peptide derived from dried bonito VKV 344.23 antioxidative Inhouse_peptide NA peptide +MJ040704 Lamtidine C18H28N6O 344.232459 NA MeJP NA NA +C11804 Lamtidine C18H28N6O 344.2325 NA KEGG NA NA +C07119 Medroxyprogesterone C22H32O3 344.2351 NA KEGG NA NA +C08158 Testosterone propionate C22H32O3 344.2351 NA KEGG NA NA +C14643 Medrysone C22H32O3 344.2351 NA KEGG NA NA +C14934 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol C22H32O3 344.2351 NA KEGG NA NA +C14954 17-Methylandrosta-4,6-diene-3beta,17beta-diol 3-acetate C22H32O3 344.2351 NA KEGG NA NA +C14964 11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-3,20-dione C22H32O3 344.2351 NA KEGG NA NA +C15001 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde C22H32O3 344.2351 NA KEGG NA NA +C15064 17beta-(Hydroxymethyl)androst-4-en-3-one acetate C22H32O3 344.2351 NA KEGG NA NA +C15273 17beta-Hydroxy-5alpha-androst-1-en-3-one propionate C22H32O3 344.2351 NA KEGG NA NA +HMDB01939 Medroxyprogesterone C22H32O3 344.235138 NA HMDB2010 NA NA +HMDB10213 17-HDoHE C22H32O3 344.235138 NA HMDB2010 NA NA +HMDB13620 19(20)-EpDPE C22H32O3 344.235138 NA HMDB2010 NA NA +HMDB13621 16(17)-EpDPE C22H32O3 344.235138 NA HMDB2010 NA NA +HMDB01939 Medroxyprogesterone C22H32O3 344.23514 http://www.hmdb.ca/metabolites/HMDB01939 HMDB NA NA +HMDB01939 Medroxyprogesterone C22H32O3 344.23514 HMDB01939 PFEM_hmdb_metabocards_official NA NA +MJ040705 1(15),7,9-Dolastatriene-4,14-diol, 4-Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040706 10-Hydroxy-4,7,11,13,16,19-docosahexaenoic acid C22H32O3 344.235144 NA MeJP NA NA +MJ040707 11-Hydroxy-6-methylpregn-4-ene-3,20-dione C22H32O3 344.235144 NA MeJP NA NA +MJ040708 12,15-Epoxy-8(17),12,14-labdatrien-16-ol; Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040709 12-Hydroxy-9(11),16-kauradien-19-oic acid, Et ether C22H32O3 344.235144 NA MeJP NA NA +MJ040710 14,15-Epoxy-8(13),11(20)-amphilectadien-2-ol; 2?-form, Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040711 14-Hydroxy-4,7,10,12,16,19-docosahexaenoic acid C22H32O3 344.235144 NA MeJP NA NA +MJ040712 15,16-Epoxy-8(17),13(16),14-labdatrien-19-oic acid, 19-Alcohol, 19-Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040713 15,16-Epoxy-8(17),13(16),14-labdatrien-7-ol, Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040714 16-Ethyl-21-hydroxy-19-norpregn-4-ene-3,20-dione C22H32O3 344.235144 NA MeJP NA NA +MJ040715 16-Kaurene-11,15-diol, 15-Ketone, 11-Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040716 16-Oxo-3,4-secomansumbina-4(28),13(17)-dien-3-oic acid C22H32O3 344.235144 NA MeJP NA NA +MJ040717 17-Hydroxy-6-methylpregn-4-ene-3,20-dione C22H32O3 344.235144 NA MeJP NA NA +MJ040718 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Propanoyl C22H32O3 344.235144 NA MeJP NA NA +MJ040719 17-Hydroxypregn-4-ene-3,20-dione, Me ether C22H32O3 344.235144 NA MeJP NA NA +MJ040720 18-Hydroxy-3,13(16),14-clerodatrien-2-one; Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040721 18-Vouacapanol; Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040722 19-Vouacapanol; Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040723 2-(4,8-Dimethyl-3,7-nonadienyl)-3,4-dihydro-3,5-dihydroxy-2,7-dimethyl-2H-1-benzopyran C22H32O3 344.235144 NA MeJP NA NA +MJ040724 2-(4,8-Dimethyl-3,7-nonadienyl)-3,4-dihydro-6,8-dihydroxy-2-methyl-2H-1-benzopyran, 8-Me ether C22H32O3 344.235144 NA MeJP NA NA +MJ040725 2-Hydroxy-6-(8,11-pentadecadienyl)benzoic acid C22H32O3 344.235144 NA MeJP NA NA +MJ040726 21-Hydroxypregn-4-ene-3,20-dione; Me ether C22H32O3 344.235144 NA MeJP NA NA +MJ040727 3,16-Dihydroxy-23,24-dinorcholan-22-oic acid, 22?16 Lactone C22H32O3 344.235144 NA MeJP NA NA +MJ040728 3,4-Epoxy-13(15),16,18-sphenolobatrien-5-ol, Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040729 4,8,18-Dolabellatriene-3,16-diol, 16-Aldehyde, 3-Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040730 5-Hydroxy-2-tridecyl-4H-1-benzopyran-4-one C22H32O3 344.235144 NA MeJP NA NA +MJ040731 6-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1,2,4-benzenetriol; 2-Me ether C22H32O3 344.235144 NA MeJP NA NA +MJ040732 6-Vouacapanol; 6?-form, Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040733 7-Hydroxy-3,8(17),12(18)-dolabellatrien-13-one; Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040734 7-Vouacapanol, Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040735 8,11,13-Abietatriene-1,18-diol; 1?-form, 18-Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040736 8,11,13-Abietatriene-12,18-diol; 18-Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040737 8,11,13-Abietatriene-12,19-diol; 19-Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040738 8,11,13-Abietatriene-3,12-diol, 3-Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040739 8,11,13-Abietatriene-6,12-diol; 6?-form, 6-Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040740 8,11,13-Abietatriene-7,19-diol; 7?-form, 19-Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040741 9-Hydroxy-3,7,12-dolabellatrien-16-al, 9-Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040742 Acetylcoriacenone C22H32O3 344.235144 NA MeJP NA NA +MJ040743 Ambliofuran; 12-Acetoxy C22H32O3 344.235144 NA MeJP NA NA +MJ040744 Buxaheptalactone C22H32O3 344.235144 NA MeJP NA NA +MJ040745 Metenolone; Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040746 Penostatin D, 6-Epimer, 9-ketone C22H32O3 344.235144 NA MeJP NA NA +MJ040747 Penostatin D, 9-Ketone C22H32O3 344.235144 NA MeJP NA NA +MJ040748 Penostatin E C22H32O3 344.235144 NA MeJP NA NA +MJ040749 Penostatin I C22H32O3 344.235144 NA MeJP NA NA +MJ040750 Sanadaol; Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040751 Siccanochromene D C22H32O3 344.235144 NA MeJP NA NA +MJ040752 Spongiaquinone; 1'-Deoxy, 2',5'-quinol C22H32O3 344.235144 NA MeJP NA NA +MJ040753 Stenbolone; Ac C22H32O3 344.235144 NA MeJP NA NA +MJ040754 Strongylin A C22H32O3 344.235144 NA MeJP NA NA +MJ040755 Tricycloalternarene 3a; 7,8-Dihydro, 5,6-didehydro, Me ether C22H32O3 344.235144 NA MeJP NA NA +MJ040756 Tricycloalternarene 3a; Me ether C22H32O3 344.235144 NA MeJP NA NA +MJ040757 Ulocladol A; 7,8-Dihydro, 5,6-didehydro, Me ether C22H32O3 344.235144 NA MeJP NA NA +MJ040758 Ulocladol A; Me ether C22H32O3 344.235144 NA MeJP NA NA +MJ040759 Wiedendiol B C22H32O3 344.235144 NA MeJP NA NA +MJ040760 Oxydipentonium(2+); Dichloride C16H38Cl2N2O 344.236119 NA MeJP NA NA +PJ000412 VVK C16H32N4O4 344.2424 NA PeJP NA NA +HMDB03166 16b-Hydroxystanozolol C21H32N2O2 344.246368 NA HMDB2010 NA NA +HMDB03318 4b-Hydroxystanozolol C21H32N2O2 344.246368 NA HMDB2010 NA NA +HMDB06001 3'-Hydroxystanozolol C21H32N2O2 344.246368 NA HMDB2010 NA NA +HMDB03166 16beta-Hydroxystanozolol C21H32N2O2 344.24637 http://www.hmdb.ca/metabolites/HMDB03166 HMDB NA NA +HMDB03318 4b-Hydroxystanozolol C21H32N2O2 344.24637 http://www.hmdb.ca/metabolites/HMDB03318 HMDB NA NA +HMDB03166 16beta-Hydroxystanozolol C21H32N2O2 344.24637 HMDB03166 PFEM_hmdb_metabocards_official NA NA +HMDB03318 4b-Hydroxystanozolol C21H32N2O2 344.24637 HMDB03318 PFEM_hmdb_metabocards_official NA NA +MJ040761 Kurchenine C21H32N2O2 344.246378 NA MeJP NA NA +MJ040762 9-Hydroxynonadecanedioic acid C19H36O5 344.256274 NA MeJP NA NA +MJ040763 Protomethine C20H32N4O 344.257611 NA MeJP NA NA +MJ040764 1-Phenyl-1,3-heptadecanedione C23H36O2 344.27153 NA MeJP NA NA +MJ040765 3-(8,11,14-Heptadecatrienyl)-1,2-benzenediol; 14,15-Dihydro C23H36O2 344.27153 NA MeJP NA NA +MJ040766 3-Hydroxy-24-nor-5-cholen-23-al C23H36O2 344.27153 NA MeJP NA NA +MJ040767 4-(8,11-Heptadecadienyl)-1,2-benzenediol C23H36O2 344.27153 NA MeJP NA NA +MJ040768 5-Heptadecyl-1,3-benzenediol; 8',9',11',12'-Tetradehydro(Z,Z-) C23H36O2 344.27153 NA MeJP NA NA +MJ040769 8(14),15-Isopimaradiene-18,19-diol; 18,19-Isopropylidene C23H36O2 344.27153 NA MeJP NA NA +MJ040770 Dimepregnen C23H36O2 344.27153 NA MeJP NA NA +MJ040771 Luteone C23H36O2 344.27153 NA MeJP NA NA +MJ040772 Plastoquinol-1 C23H36O2 344.27153 NA MeJP NA NA +MJ040773 10,20-Dihydroxyeicosanoic acid C20H40O4 344.292659 NA MeJP NA NA +MJ040774 11,12-Dihydroxyeicosanoic acid C20H40O4 344.292659 NA MeJP NA NA +MJ040775 Glycerol 1-alkanoates; Glycerol 1-(15-methylhexadecanoate) C20H40O4 344.292659 NA MeJP NA NA +C14979 3beta-Cyclopentyl-5alpha-androstan-17beta-ol C24H40O 344.3079 NA KEGG NA NA +MJ040776 Dihydroisoconessimine C23H40N2 344.319149 NA MeJP NA NA +MJ040777 Pregn-5-ene-3,20-diamine, N20,N20-Di-Me C23H40N2 344.319149 NA MeJP NA NA +MJ040778 Pregn-5-ene-3,20-diamine, N3,N3-Di-Me C23H40N2 344.319149 NA MeJP NA NA +C13858 1-O-Octadecyl-sn-glycerol C21H44O3 344.329 NA KEGG NA NA +HMDB11143 MG(18:0e/0:0/0:0) C21H44O3 344.329041 NA HMDB2010 NA NA +MJ040779 3-(15-Methylheptadecyloxy)-1,2-propanediol C21H44O3 344.329045 NA MeJP NA NA +MJ040780 3-(16-Methylheptadecyloxy)-1,2-propanediol C21H44O3 344.329045 NA MeJP NA NA +MJ040781 3-(Octadecyloxy)-1,2-propanediol C21H44O3 344.329045 NA MeJP NA NA +MJ040782 2,6,14-Trimethyl-10-methylene-9-(3-methyl-4-pentenyl)-6-pentadecene; 2,3-Didehydro C25H44 344.344301 NA MeJP NA NA +MJ040783 Secohopane II C25H44 344.344301 NA MeJP NA NA +7889 peptide from skin gelatin of hoki (Johnius belengerii) HGPLGPL 344.686 MH2+ Inhouse_peptide NA peptide +MJ040784 3,4,5-Tribromo-1H-pyrrole-2-carboxylic acid C5H2Br3NO2 344.763566 NA MeJP NA NA +MJ040785 (Ethylenediaminetetraacetato)ferrate(III)(1-) C10H12FeN2O8(-) 345.002132 NA MeJP NA NA +C11266 8-Bromoadenosine C10H12BrN5O4 345.0073 NA KEGG NA NA +C11267 Transferred to D01056 C10H12BrN5O4 345.0073 NA KEGG NA NA +C00942 3',5'-Cyclic GMP C10H12N5O7P 345.0474 NA KEGG NA NA +C06194 2',3'-Cyclic GMP C10H12N5O7P 345.0474 NA KEGG NA NA +C07025 3'-Keto-3'-deoxy-AMP C10H12N5O7P 345.0474 NA KEGG NA NA +HMDB01314 Cyclic GMP C10H12N5O7P 345.04742 http://www.hmdb.ca/metabolites/HMDB01314 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01314 Cyclic GMP C10H12N5O7P 345.04742 http://www.hmdb.ca/metabolites/HMDB01314 HMDB NA NA +HMDB01314 Cyclic GMP C10H12N5O7P 345.04742 http://www.hmdb.ca/metabolites/HMDB01314 PFEM_hmdb_metabocards_blood NA blood +HMDB01314 Cyclic GMP C10H12N5O7P 345.04742 HMDB01314 PFEM_hmdb_metabocards_official NA NA +HMDB01314 Cyclic GMP C10H12N5O7P 345.047424 NA HMDB2010 NA NA +HMDB11629 Guanosine 2',3'-cyclic phosphate C10H12N5O7P 345.047424 NA HMDB2010 NA NA +MJ040786 Cyclic GMP C10H12N5O7P 345.047434 NA MeJP NA NA +MJ040787 2',3'-Cyclic GMP C10H12N5O7P 345.047434 NA MeJP NA NA +MJ040788 3',5'-Cyclic GMP C10H12N5O7P 345.047434 NA MeJP NA NA +MJ040789 3'-Keto-3'-deoxy-AMP C10H12N5O7P 345.047434 NA MeJP NA NA +MetaCyc03058 cyclic-GMP [3',5'-cyclic GMP;guanosine-cyclic-phosphoric-acid;cGMP;guanosine cyclic-monophosphate;guanosine 3',5'-cyclic-monophosphate;guanosine 3',5'-cyclic phosphate;] C10H12N5O7P1 345.047434 7665-99-8 metacyc NA NA +MetaCyc03059 guanosine 2',3'-cyclic monophosphate [2',3'-Cyclic GMP;] C10H12N5O7P1 345.047434 NA metacyc NA NA +MJ040790 Polycarpamine B C14H19NO3S3 345.052705 NA MeJP NA NA +MJ040791 Tubercidin; 5'-O-Sulfamoyl C11H15N5O6S 345.074303 NA MeJP NA NA +C01081 Thiamin monophosphate C12H18N4O4PS 345.0786 NA KEGG NA NA +MJ040792 Thiamin monophosphate C12H18N4O4PS 345.078637 NA MeJP NA NA +MetaCyc03060 thiamine-phosphate [thiamin monophosphate;thiamin phosphate;thiamin-P;thiamine-Pi;ThP;thiamine monophosphate;] C12H18N4O4P1S1 345.078637 532-40-1 metacyc NA NA +MJ040793 3?-(4,4,4-Trichloro-2-butyryloxy)tropane C17H22Cl3N 345.081782 NA MeJP NA NA +MJ040794 Usnic acid amide C17H15NO7 345.084851 NA MeJP NA NA +C17240 p-Hydroxybenzyldesulphoglucosinolate C14H19NO7S 345.0882 NA KEGG NA NA +MJ040795 Clopamide C14H20ClN3O3S 345.091389 NA MeJP NA NA +MJ040796 Cloxathiepin C19H20ClNOS 345.095412 NA MeJP NA NA +C08595 Capensinidin C18H17O7 345.0974 NA KEGG NA NA +C08643 Hirsutidin C18H17O7 345.0974 NA KEGG NA NA +FL7ACINS0001 Hirsutidin C18H17O7 345.09742 4092-66-4 knapsack NA NA +MJ040797 Antibiotic 13285A C13H19N3O6S 345.099456 NA MeJP NA NA +MJ040798 Penicillin N; 3-De-?-Me C13H19N3O6S 345.099456 NA MeJP NA NA +C17757 2-Descarboxy-betanidin C17H17N2O6 345.1087 NA KEGG NA NA +PJ000413 SCH C12H19N5O5S 345.1107 NA PeJP NA NA +MJ040799 Arcyriarubin A; 3,4-Dihydro, 6'-hydroxy C20H15N3O3 345.111341 NA MeJP NA NA +MJ040800 Euxylophoricine A; 7,8-Didehydro C20H15N3O3 345.111341 NA MeJP NA NA +MJ040801 Violacein; 3,3'-Dihydro C20H15N3O3 345.111341 NA MeJP NA NA +C07324 Omeprazole C17H19N3O3S 345.1147 NA KEGG NA NA +MJ040802 11-[(Dimethylamino)acetyl]-6,11-dihydro-6-methyldibenzo[c,f][1,2,5]thiadiazepine 5,5-dioxide C17H19N3O3S 345.114712 NA MeJP NA NA +MJ040803 5-(Dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide C17H19N3O3S 345.114712 NA MeJP NA NA +MJ040804 Omeprazole C17H19N3O3S 345.114712 NA MeJP NA NA +HMDB01913 Omeprazole C17H19N3O3S 345.114716 NA HMDB2010 NA NA +HMDB05009 (S)-Esomeprazole C17H19N3O3S 345.114716 NA HMDB2010 NA NA +HMDB01913 Omeprazole C17H19N3O3S 345.11472 http://www.hmdb.ca/metabolites/HMDB01913 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01913 Omeprazole C17H19N3O3S 345.11472 http://www.hmdb.ca/metabolites/HMDB01913 HMDB NA NA +HMDB05009 (S)-Esomeprazole C17H19N3O3S 345.11472 http://www.hmdb.ca/metabolites/HMDB05009 HMDB NA NA +HMDB01913 Omeprazole C17H19N3O3S 345.11472 http://www.hmdb.ca/metabolites/HMDB01913 PFEM_hmdb_metabocards_blood NA blood +HMDB01913 Omeprazole C17H19N3O3S 345.11472 HMDB01913 PFEM_hmdb_metabocards_official NA NA +HMDB05009 (S)-Esomeprazole C17H19N3O3S 345.11472 HMDB05009 PFEM_hmdb_metabocards_official NA NA +C11002 Isofenphos C15H24NO4PS 345.1164 NA KEGG NA NA +PJ000414 PDD C13H19N3O8 345.1172 NA PeJP NA NA +MJ040805 3-(3-Amino-3-carboxypropyl)uridine C13H19N3O8 345.117214 NA MeJP NA NA +C08520 Candimine C18H19NO6 345.1212 NA KEGG NA NA +MJ040806 1,2,3,5,6-Pentahydroxyacridone; 1,2,3,5,6-Penta-Me ether C18H19NO6 345.121237 NA MeJP NA NA +MJ040807 1,2,3,5,6-Pentahydroxyacridone; 2,3,5,6,10-Penta-Me C18H19NO6 345.121237 NA MeJP NA NA +MJ040808 Acronydine; 1,2-Dihydro, 1R*,2R*-dihydroxy C18H19NO6 345.121237 NA MeJP NA NA +MJ040809 Acronydine; 1,2-Dihydro, 1R*,2S*-dihydroxy C18H19NO6 345.121237 NA MeJP NA NA +MJ040810 Candimine C18H19NO6 345.121237 NA MeJP NA NA +MJ040811 Isopteleflorine, Ac C18H19NO6 345.121237 NA MeJP NA NA +MJ040812 Krigeine; 7-Ketone (lactone) C18H19NO6 345.121237 NA MeJP NA NA +MJ040813 Physarorubinic acid C18H19NO6 345.121237 NA MeJP NA NA +MJ040814 Renierol; 1,2-Dihydro, O-angeloyl, N-formyl C18H19NO6 345.121237 NA MeJP NA NA +MJ040815 Tecleaverdoornine; 3',4'-Dihydro, 4'-hydroxy C18H19NO6 345.121237 NA MeJP NA NA +MJ040816 2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine C18H15N7O 345.133808 NA MeJP NA NA +MJ040817 Anhydrodehydrotylophorinidine C22H20NO3(+) 345.136493 NA MeJP NA NA +MJ040818 Pyridoxine; O1''-Me, 5-O-?-D-glucopyranoside C15H23NO8 345.142366 NA MeJP NA NA +MJ040819 Angustoline, Me ether C21H19N3O2 345.147726 NA MeJP NA NA +MJ040820 Lyaline C21H19N3O2 345.147726 NA MeJP NA NA +MJ040821 Naufoline; 16-Methoxycarbonyl C21H19N3O2 345.147726 NA MeJP NA NA +MJ040822 Metofoline C20H24ClNO2 345.149556 NA MeJP NA NA +MJ040823 Podilfen C18H23N3O2S 345.151097 NA MeJP NA NA +PJ000415 PTE C14H23N3O7 345.1536 NA PeJP NA NA +C08515 Albomaculine C19H23NO5 345.1576 NA KEGG NA NA +C09325 Aknadicine C19H23NO5 345.1576 NA KEGG NA NA +MJ040824 Aknadinine, N-De-Me C19H23NO5 345.157622 NA MeJP NA NA +MJ040825 Carococculine C19H23NO5 345.157622 NA MeJP NA NA +MJ040826 Dinklageine C19H23NO5 345.157622 NA MeJP NA NA +MJ040827 Erythrartine; N-Oxide C19H23NO5 345.157622 NA MeJP NA NA +MJ040828 Erythratine; 11-Methoxy C19H23NO5 345.157622 NA MeJP NA NA +MJ040829 Heterocarpine C19H23NO5 345.157622 NA MeJP NA NA +MJ040830 Jerusalemine C19H23NO5 345.157622 NA MeJP NA NA +MJ040831 Metaphanine C19H23NO5 345.157622 NA MeJP NA NA +MJ040832 Nerinine; 7-Ketone(lactone) C19H23NO5 345.157622 NA MeJP NA NA +MJ040833 Phellinine C19H23NO5 345.157622 NA MeJP NA NA +MJ040834 Pretazettine; 8-Epimer, O8-Et, N-de-Me C19H23NO5 345.157622 NA MeJP NA NA +MJ040835 Pretazettine; O8-Et, N-de-Me C19H23NO5 345.157622 NA MeJP NA NA +MJ040836 Prostephabyssine C19H23NO5 345.157622 NA MeJP NA NA +MJ040837 Punikathine C19H23NO5 345.157622 NA MeJP NA NA +MJ040838 Reticuline, N-Oxide C19H23NO5 345.157622 NA MeJP NA NA +MJ040839 Sanguinine; N-De-Me, O3-(3-hydroxybutanoyl) C19H23NO5 345.157622 NA MeJP NA NA +MJ040840 Semorphone C19H23NO5 345.157622 NA MeJP NA NA +MJ040841 Tretoquinol C19H23NO5 345.157622 NA MeJP NA NA +MJ040842 Unsevine; O-De-Me, O7-Et C19H23NO5 345.157622 NA MeJP NA NA +MJ040843 Acodazole C20H19N5O 345.15896 NA MeJP NA NA +2617 synthetic fr, of human beta-CN (99-101) ACE inhibitor VMP 345.1604 NA Inhouse_peptide NA peptide +PJ000416 AQQ C13H23N5O6 345.1648 NA PeJP NA NA +PJ000417 GAAQ C13H23N5O6 345.1649 NA PeJP NA NA +MJ040844 2-Amino-6-(1H-indol-3-ylacetyl)hexanoic acid, N2-Ac C18H23N3O4 345.168856 NA MeJP NA NA +C13591 Metipranolol hydrochloride C17H27NO4 345.1707 NA KEGG NA NA +C13592 Transferred to D02082 C17H27NO4 345.1707 NA KEGG NA NA +C13593 Transferred to D00357 C17H27NO4 345.1707 NA KEGG NA NA +C13594 Amrinone lactate C10H9N3O 345.1707 NA KEGG NA NA +C13595 Milrinone lactate C12H9N3O 345.1707 NA KEGG NA NA +C13596 Transferred to D02086 C12H9N3O 345.1707 NA KEGG NA NA +C13597 Transferred to D02087 C12H9N3O 345.1707 NA KEGG NA NA +C13598 Transferred to D02088 C12H9N3O 345.1707 NA KEGG NA NA +C13599 Transferred to D02089 C12H9N3O 345.1707 NA KEGG NA NA +C13600 Transferred to D02090 C12H9N3O 345.1707 NA KEGG NA NA +C13601 Transferred to D02091 C12H9N3O 345.1707 NA KEGG NA NA +C13602 Transferred to D02092 C12H9N3O 345.1707 NA KEGG NA NA +C13603 Transferred to D02093 C12H9N3O 345.1707 NA KEGG NA NA +C13604 Transferred to D02094 C12H9N3O 345.1707 NA KEGG NA NA +C13605 Transferred to D02095 C12H9N3O 345.1707 NA KEGG NA NA +C13606 Transferred to D02096 C12H9N3O 345.1707 NA KEGG NA NA +C13607 Transferred to D02097 C12H9N3O 345.1707 NA KEGG NA NA +C13608 Transferred to D02098 C12H9N3O 345.1707 NA KEGG NA NA +C13609 Transferred to D02099 C12H9N3O 345.1707 NA KEGG NA NA +PJ000418 PVM C15H27N3O4S 345.1722 NA PeJP NA NA +MJ040845 Crisnatol C23H23NO2 345.172878 NA MeJP NA NA +MJ040846 Murrayacinine C23H23NO2 345.172878 NA MeJP NA NA +MJ040847 Murrayamine J C23H23NO2 345.172878 NA MeJP NA NA +MJ040848 Murrayamine M C23H23NO2 345.172878 NA MeJP NA NA +MJ040849 Cyclofoxy C20H24FNO3 345.174021 NA MeJP NA NA +PJ000419 GNR C12H23N7O5 345.1761 NA PeJP NA NA +MJ040850 Europine; N-Oxide C16H27NO7 345.178752 NA MeJP NA NA +PJ000420 VVE C15H27N3O6 345.19 NA PeJP NA NA +MJ040851 Eptapirone C16H23N7O2 345.191323 NA MeJP NA NA +MJ040852 Athrocupressine C20H27NO4 345.194008 NA MeJP NA NA +MJ040853 Bevantolol C20H27NO4 345.194008 NA MeJP NA NA +MJ040854 Cephalofortuneine; 7-Deoxy C20H27NO4 345.194008 NA MeJP NA NA +MJ040855 Epilupinine, O-(4-Hydroxy-3-methoxy-E-cinnamoyl) C20H27NO4 345.194008 NA MeJP NA NA +MJ040856 Hetisan-2,11,13,14-tetrol C20H27NO4 345.194008 NA MeJP NA NA +MJ040857 Ignavine; O-Debenzoyl, 3-epimer C20H27NO4 345.194008 NA MeJP NA NA +MJ040858 Kesselridine; O6,O12-Di-Me C20H27NO4 345.194008 NA MeJP NA NA +MJ040859 Lupinine, O-(4-Hydroxy-3-methoxy-E-cinnamoyl) C20H27NO4 345.194008 NA MeJP NA NA +MJ040860 Luteicine C20H27NO4 345.194008 NA MeJP NA NA +MJ040861 Robustamine C20H27NO4 345.194008 NA MeJP NA NA +MJ040862 Rosmaricine C20H27NO4 345.194008 NA MeJP NA NA +MJ040863 Saussureamine B C20H27NO4 345.194008 NA MeJP NA NA +MJ040864 Septentriosine C20H27NO4 345.194008 NA MeJP NA NA +MJ040865 Tannagine; 14-Epimer, 7,8-dihydro, 8-demethoxy C20H27NO4 345.194008 NA MeJP NA NA +MJ040866 Tanwusine A C20H27NO4 345.194008 NA MeJP NA NA +MJ040867 Vakhmatine C20H27NO4 345.194008 NA MeJP NA NA +3368 ACE inhibitor FQKVVA 345.1965 MH2+ Inhouse_peptide NA peptide +25 Hemoglobin FQKVVA 345.1975 MH2+ Inhouse_peptide NA peptide +PJ000421 AQK C14H27N5O5 345.2012 NA PeJP NA NA +MJ040868 7-Isothiocyanato-11(20),14-epiamphilectadien-12-ol C21H31NOS 345.212635 NA MeJP NA NA +PARAC032 UNKNOWN signif manip paracetamol NA 345.2228 RT9.6 PFEM_hmdb_metabocards_urine NA urine +PARAC032 UNKNOWN signif manip paracetamol NA 345.2228 RT9.6 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC032 UNKNOWN signif manip paracetamol NA 345.2228 RT9.6 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC032 UNKNOWN signif manip paracetamol NA 345.2228 RT9.6 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC032 UNKNOWN signif manip paracetamol NA 345.2228 RT9.6 HMDB NA NA +PARAC032 UNKNOWN signif manip paracetamol NA 345.2228 RT9.6 Inhouse_PFEM NA NA +PARAC032 UNKNOWN signif manip paracetamol NA 345.2228 RT9.6 PFEM_hmdb_metabocards_blood NA blood +PARAC032 UNKNOWN signif manip paracetamol NA 345.2228 RT9.6 PFEM_hmdb_metabocards_official NA NA +3379 ACE inhibitor AKK 345.225 celiac toxic Inhouse_peptide NA peptide +PJ000422 TLL C16H31N3O5 345.2264 NA PeJP NA NA +MJ040869 4-Amino-3-hydroxybenzoic acid; 2,7-Tetradecadienyl ester (2E,7?) C21H31NO3 345.230393 NA MeJP NA NA +MJ040870 Alkaloid GB 17 C21H31NO3 345.230393 NA MeJP NA NA +MJ040871 Brunonine; 15-Epimer, O-de-Et, O19-Me C21H31NO3 345.230393 NA MeJP NA NA +MJ040872 Cycloneosamandaridine C21H31NO3 345.230393 NA MeJP NA NA +MJ040873 Dehydrocardiopetaline C21H31NO3 345.230393 NA MeJP NA NA +MJ040874 Dictysine; 15-Ketone C21H31NO3 345.230393 NA MeJP NA NA +MJ040875 Joalin C21H31NO3 345.230393 NA MeJP NA NA +MJ040876 Lepenine; N-De-Et, N-Me C21H31NO3 345.230393 NA MeJP NA NA +MJ040877 Napelline; N-De-Et, N-Me C21H31NO3 345.230393 NA MeJP NA NA +MJ040878 Samandaridine C21H31NO3 345.230393 NA MeJP NA NA +MJ040879 Spirendolol C21H31NO3 345.230393 NA MeJP NA NA +PJ000423 AKK C15H31N5O4 345.2376 NA PeJP NA NA +MJ040880 Negamycin, 5-Deoxy, 3-N-leucyl C15H31N5O4 345.237604 NA MeJP NA NA +MJ040881 Broussonetinine A C18H35NO5 345.251523 NA MeJP NA NA +MJ040882 Atidine; 7-Deoxo C22H35NO2 345.266779 NA MeJP NA NA +MJ040883 Buxus Alkaloid N C22H35NO2 345.266779 NA MeJP NA NA +MJ040884 Himbacine C22H35NO2 345.266779 NA MeJP NA NA +MJ040885 Kurchiphyllamine C22H35NO2 345.266779 NA MeJP NA NA +MJ040886 Latifoline; 12?-Hydroxy C22H35NO2 345.266779 NA MeJP NA NA +MJ040887 Secoverine C22H35NO2 345.266779 NA MeJP NA NA +C10598 Himbacine C22H35NO2 345.2668 NA KEGG NA NA +MJ040888 N-Cyclohexyl-N'-tricyclo[3.3.1.13,7]dec-1-yl-4-morpholinecarboximidamide C21H35N3O 345.278012 NA MeJP NA NA +HMDB06751 Phytoceramide C19H39NO4 345.2879 http://www.hmdb.ca/metabolites/HMDB06751 HMDB NA NA +HMDB06751 Phytoceramide C19H39NO4 345.2879 HMDB06751 PFEM_hmdb_metabocards_official NA NA +MJ040889 2,4,12-Octadecatrienoic acid, Piperidide C23H39NO 345.303164 NA MeJP NA NA +MJ040890 2,4,14-Octadecatrienoic acid, Piperidide C23H39NO 345.303164 NA MeJP NA NA +MJ040891 20-Aminopregn-5-en-3-ol, N-Di-Me C23H39NO 345.303164 NA MeJP NA NA +MJ040892 20-Aminopregnan-3-one, N,N-Di-Me C23H39NO 345.303164 NA MeJP NA NA +MJ040893 3-Aminopregnan-20-one, N-Di-Me C23H39NO 345.303164 NA MeJP NA NA +C10810 Irehine C23H39NO 345.3032 NA KEGG NA NA +MJ040894 2-Amino-1,3,4-eicosanetriol C20H43NO3 345.324294 NA MeJP NA NA +MJ040895 Bromodiiodomethane CHBrI2 345.735099 NA MeJP NA NA +MJ040896 3-Bromo-4-hydroxy-9,10-dioxo-1-anthracenecarboxylic acid C15H7BrO5 345.947685 NA MeJP NA NA +MJ040897 Clodantoin C11H17Cl3N2O2S 346.007631 NA MeJP NA NA +MJ040898 Chlorofucin C15H20BrClO2 346.03352 NA MeJP NA NA +MJ040899 Dactomelyne C15H20BrClO2 346.03352 NA MeJP NA NA +MJ040900 Epoxyisodihydrorhodophytin C15H20BrClO2 346.03352 NA MeJP NA NA +MJ040901 Laureacetal E C15H20BrClO2 346.03352 NA MeJP NA NA +MJ040902 Notoryne C15H20BrClO2 346.03352 NA MeJP NA NA +MJ040903 Rogiolenyne D; 4?,5?-Epoxide C15H20BrClO2 346.03352 NA MeJP NA NA +MJ040904 Rogioloxepane A; 9?,10?-Epoxide C15H20BrClO2 346.03352 NA MeJP NA NA +MJ040905 [4-[[[2-[(4-Amino-1,2,5-thiadiazol-3-yl)amino]ethyl]thio]methyl]-2-thiazolyl]guanidine S-oxide C9H14N8OS3 346.045269 NA MeJP NA NA +MJ040906 3,3'-Bisjuglone C20H10O6 346.047738 NA MeJP NA NA +MJ040907 Bilawsone C20H10O6 346.047738 NA MeJP NA NA +MJ040908 Bulgarhodin C20H10O6 346.047738 NA MeJP NA NA +MetaCyc03061 precursor-Z [] C10H13N5O7P1 346.055259 NA metacyc NA NA +MJ040909 18-Bromo-13,17-octadecadiene-5,7,15-triynoic acid C18H19BrO2 346.056842 NA MeJP NA NA +MJ040910 18-Bromo-9,15-octadecadiene-5,7,17-triynoic acid C18H19BrO2 346.056842 NA MeJP NA NA +MJ040911 18-Bromo-9,17-octadecadiene-5,7,15-triynoic acid C18H19BrO2 346.056842 NA MeJP NA NA +MJ040912 6-Bromo-5,15-octadecadiene-11,13,17-triynoic acid C18H19BrO2 346.056842 NA MeJP NA NA +MJ040913 Pentamethonium(2+); Dibromide C11H28Br2N2 346.061924 NA MeJP NA NA +MJ040914 Cassipourine C14H22N2S4 346.066581 NA MeJP NA NA +FL3FEGNS0001 5,3',4',5'-Tetrahydroxy-6,7-dimethoxyflavone C17H14O8 346.06886 115713-04-7 knapsack NA NA +FL3FEGNS0002 5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone C17H14O8 346.06886 79154-47-5 knapsack NA NA +FL3FELNS0001 5,7,2',4'-Tetrahydroxy-6,5'-dimethoxyflavone C17H14O8 346.06886 81979-84-2 knapsack NA NA +FL3FF8NS0013 Ganhuangenin C17H14O8 346.06886 92519-91-0 knapsack NA NA +FL3FF8NS0014 5,7,2',3'-Tetrahydroxy-8,6'-dimethoxyflavone C17H14O8 346.06886 101909-89-1 knapsack NA NA +FL3FFGNS0002 5,7,3',5'-Tetrahydroxy-8,4'-dimethoxyflavone C17H14O8 346.06886 64251-86-1 knapsack NA NA +FL3FFLNS0004 5,7,2',4'-Tetrahydroxy-8,5'-dimethoxyflavone C17H14O8 346.06886 102673-77-8 knapsack NA NA +FL3FG8NS0005 5,6,2',6'-Tetrahydroxy-7,8-dimethoxyflavone C17H14O8 346.06886 136055-62-4 knapsack NA NA +FL3FGCNS0003 5,7,3',4'-Tetrahydroxy-6,8-dimethoxyflavone C17H14O8 346.06886 57093-50-2 knapsack NA NA +FL3FGCNS0016 Leucanthogenin;5,8,3',4'-Tetrahydroxy-6,7-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5,8-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one C17H14O8 346.06886 99615-00-6 knapsack NA NA +FL4DACNS0002 Taxifolin 3-acetate C17H14O8 346.06886 78834-97-6 knapsack NA NA +FL5F2GNS0001 Inucrithmin;2-(3,4-Dihydroxy-5-methoxyphenyl)-3,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one C17H14O8 346.06886 179085-60-0 knapsack NA NA +FL5FAINS0001 Syringetin C17H14O8 346.06886 4423-37-4 knapsack NA NA +FL5FAJNM0001 Dumosol C17H14O8 346.06886 69935-13-3 knapsack NA NA +FL5FAKNS0001 Myricetin 3',4'-dimethyl ether C17H14O8 346.06886 80368-73-6 knapsack NA NA +FL5FALNS0005 Viscidulin III C17H14O8 346.06886 90965-31-4 knapsack NA NA +FL5FALNS0008 5,7,4',5'-Tetrahydroxy-3,2'-dimethoxyflavone C17H14O8 346.06886 113744-08-4 knapsack NA NA +FL5FALNS0009 5,7,2',5'-Tetrahydroxy-3,4'-dimethoxyflavone C17H14O8 346.06886 113122-21-7 knapsack NA NA +FL5FCJNS0001 Myricetin 7,4'-dimethyl ether C17H14O8 346.06886 86828-05-9 knapsack NA NA +FL5FDGNM0001 Alluaudiol C17H14O8 346.06886 71765-77-0 knapsack NA NA +FL5FDHNS0001 Artemexitin C17H14O8 346.06886 73607-03-1 knapsack NA NA +FL5FDJNS0001 Myricetin 3,4'-dimethyl ether C17H14O8 346.06886 71325-90-1 knapsack NA NA +FL5FECNS0009 Axillarin;3,6-Dimethoxy-5,7,3',4'-tetrahydroxyflavone;Quercetagetin 3,6-dimethyl ether;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one C17H14O8 346.06886 5188-73-8 knapsack NA NA +FL5FECNS0010 Tomentin;5,6,3',4'-Tetrahydroxy-3,7-dimethoxyflavone;3,7-Dimethylquercetagetin;2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one C17H14O8 346.06886 59171-23-2 knapsack NA NA +FL5FECNS0011 Quercetagetin 3,3'-dimethyl ether C17H14O8 346.06886 36034-36-3 knapsack NA NA +FL5FECNS0012 Quercetagetin 3,4'-dimethyl ether;5,6,7,3'-Tetrahydroxy-3,4'-dimethoxyflavone;5,6,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one C17H14O8 346.06886 59171-34-5 knapsack NA NA +FL5FECNS0013 Eupatolitin;3,3',4',5-tetrahydroxy-6,7-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one C17H14O8 346.06886 29536-44-5 knapsack NA NA +FL5FECNS0014 Spinacetin;3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone;Quercetagetin 3',6-dimethyl ether;3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one C17H14O8 346.06886 3153-83-1 knapsack NA NA +FL5FECNS0015 Laciniatin;3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one C17H14O8 346.06886 74161-28-7 knapsack NA NA +FL5FFCNS0006 Gossypetin 3,7-dimethyl ether;5,8,3',4',-Tetrahydroxy-3,7-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5,8-dihydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one C17H14O8 346.06886 57765-84-1 knapsack NA NA +FL5FFCNS0007 Gossypetin 3,8-dimethyl ether;5,7,3',4'-Tetrahydroxy-3,8-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-dimethoxy-4H-1-benzopyran-4-one C17H14O8 346.06886 4988-22-1 knapsack NA NA +FL5FFCNS0008 Gossypetin 3,3'-dimethyl ether C17H14O8 346.06886 96887-24-0 knapsack NA NA +FL5FFCNS0009 Gossypetin 3,4'-dimethyl ether C17H14O8 346.06886 123563-74-6 knapsack NA NA +FL5FFCNS0010 Gossypetin 7,4'-dimethyl ether C17H14O8 346.06886 - knapsack NA NA +FL5FFCNS0011 Limocitrin C17H14O8 346.06886 489-33-8 knapsack NA NA +FL5FFCNS0012 Gossypetin 8,4'-dimethyl ether C17H14O8 346.06886 111514-47-7 knapsack NA NA +FL5FFCNS0034 7,8,3',4'-Trihydroxy-3,5-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-7,8-dihydroxy-3,5-dimethoxy-4H-1-benzopyran-4-one C17H14O8 346.06886 637774-70-0 knapsack NA NA +FL5FFCNS0035 Zanthoxyl flavone;2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one C17H14O8 346.06886 102487-38-7 knapsack NA NA +FL5FGANS0001 5,7,8,4'-Tetrahydroxy-3,6-dimethoxyflavone C17H14O8 346.06886 102673-81-4 knapsack NA NA +MJ040915 1,2,3,4,5,7-Hexahydroxy-6-methylanthraquinone; 2,3-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040916 1,2,3,6,8-Pentahydroxy-7-(1-hydroxyethyl)anthraquinone, 1'-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040917 1,2,4,5,6,8-Hexahydroxy-3-methylanthraquinone; 5,6-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040918 1,3,4,5,6,8-Hexahydroxy-2-methylanthraquinone; 5,8-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040919 2',3',5,5',7,8-Hexahydroxyflavone; 2',8-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040920 2',3',5,6',7,8-Hexahydroxyflavone; 2',8-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040921 2',3,4',5,5',7-Hexahydroxyflavone; 2',3-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040922 2',3,4',5,5',7-Hexahydroxyflavone; 2',5'-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040923 2',3,4',5,5',7-Hexahydroxyflavone; 3,4'-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040924 2',4',5,5',6,7-Hexahydroxyflavone; 5',6-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040925 2',4',5,5',7,8-Hexahydroxyflavone; 5',8-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040926 2',5,6,6',7,8-Hexahydroxyflavone; 7,8-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040927 3',4',5,5',6,7-Hexahydroxyflavone; 4',6-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040928 3',4',5,5',6,7-Hexahydroxyflavone; 5',6-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040929 3',4',5,5',6,7-Hexahydroxyflavone; 6,7-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040930 3',4',5,5',6,8-Hexahydroxyflavone; 4',5'-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040931 3',4',5,5',7,8-Hexahydroxyflavone; 4',8-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040932 3',4',5,6,7,8-Hexahydroxyflavone; 3',4'-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040933 3',4',5,6,7,8-Hexahydroxyflavone; 6,8-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040934 3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone C17H14O8 346.068867 NA MeJP NA NA +MJ040935 3',4',5,7-Tetrahydroxy-3,6-dimethoxyflavone C17H14O8 346.068867 NA MeJP NA NA +MJ040936 3',5,5',7-Tetrahydroxy-3,4'-dimethoxyflavone C17H14O8 346.068867 NA MeJP NA NA +MJ040937 3,3',4',5',6,7-Hexahydroxyflavone; 3',6-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040938 3,3',4',5,5',7-Hexahydroxy-6-methylflavone; 3-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040939 3,3',4',5,5',7-Hexahydroxy-6-methylflavone; 4'-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040940 3,3',4',5,5',7-Hexahydroxyflavone; 3',4'-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040941 3,3',4',5,5',7-Hexahydroxyflavone; 3,3'-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040942 3,3',4',5,6,7-Hexahydroxyflavone; 3,4'-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040943 3,3',4',5,6,7-Hexahydroxyflavone; 4',6-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040944 3,3',4',5,7,8-Hexahydroxyflavone; 3,3'-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040945 3,3',4',5,7,8-Hexahydroxyflavone; 3,4'-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040946 3,3',4',5,7,8-Hexahydroxyflavone; 3,7-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040947 3,3',4',5,7,8-Hexahydroxyflavone; 3,8-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040948 3,3',4',5,7,8-Hexahydroxyflavone; 7,8-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040949 3,3',4',5,7-Pentahydroxyflavanone, 3-Ac C17H14O8 346.068867 NA MeJP NA NA +MJ040950 3,3',4',5-Tetrahydroxy-6,7-dimethoxyflavone C17H14O8 346.068867 NA MeJP NA NA +MJ040951 3,4',5,6,7,8-Hexahydroxyflavone; 3,6-Di-Me ether C17H14O8 346.068867 NA MeJP NA NA +MJ040952 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone C17H14O8 346.068867 NA MeJP NA NA +MJ040953 3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone C17H14O8 346.068867 NA MeJP NA NA +MJ040954 3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone C17H14O8 346.068867 NA MeJP NA NA +MJ040955 4',5,6,7-Tetrahydroxy-3,3'-dimethoxyflavone C17H14O8 346.068867 NA MeJP NA NA +MJ040956 Aflatoxin G1; 15,16-Dihydro, 16-hydroxy C17H14O8 346.068867 NA MeJP NA NA +MJ040957 Aflatoxin GM1; 9,10-Dihydro C17H14O8 346.068867 NA MeJP NA NA +MJ040958 Barbatolin C17H14O8 346.068867 NA MeJP NA NA +MJ040959 Pannaric acid; 4-Hydroxy, 2-Me ester C17H14O8 346.068867 NA MeJP NA NA +MJ040960 Trichione C17H14O8 346.068867 NA MeJP NA NA +MetaCyc03062 syringetin [] C17H14O8 346.068867 NA metacyc NA NA +MetaCyc03063 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone [] C17H14O8 346.068867 NA metacyc NA NA +C04581 3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone C17H14O8 346.0689 NA KEGG NA NA +C09967 Taxifolin 3-O-acetate C17H14O8 346.0689 NA KEGG NA NA +C10021 Axillarin C17H14O8 346.0689 NA KEGG NA NA +C11620 Syringetin C17H14O8 346.0689 NA KEGG NA NA +C17788 Eupatolitin C17H14O8 346.0689 NA KEGG NA NA +MJ040961 Adenosine; 5'-O-Sulfamoyl C10H14N6O6S 346.069552 NA MeJP NA NA +MJ040962 3'-Amino-3'-deoxy-AMP C10H15N6O6P 346.079068 NA MeJP NA NA +MetaCyc03064 adenosine 5'-phosphoramidate [] C10H15N6O6P1 346.079069 NA metacyc NA NA +C01655 2-AminoAMP C10H15N6O6P 346.0791 NA KEGG NA NA +C01656 3-Oxo acid C3H3O3R 346.0791 NA KEGG NA NA +C03851 Adenosine 5'-phosphoramidate C10H15N6O6P 346.0791 NA KEGG NA NA +C07026 3'-Amino-3'-deoxy-AMP C10H15N6O6P 346.0791 NA KEGG NA NA +MJ040963 6-Hydroxy-2',4-dimethylspiro[benzofuran-2(3H),7'(8'H)-naphtho[1,8-bc]pyran]-3,8'-dione C21H14O5 346.084123 NA MeJP NA NA +MJ040964 Raclopride C15H20Cl2N2O3 346.085097 NA MeJP NA NA +MJ040965 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-(3-Methylthio-2-propenoyl(Z-)) C18H18O5S 346.087494 NA MeJP NA NA +MJ040966 Dihydrooroselol, O-[(E)-3-Methylthio-2-propenoyl] C18H18O5S 346.087494 NA MeJP NA NA +MJ040967 2',3',4',6'-Tetrahydroxyacetophenone; 2'-O-?-D-Glucopyranoside C14H18O10 346.089996 NA MeJP NA NA +MJ040968 2',3',4',6'-Tetrahydroxyacetophenone; 3'-O-?-D-Glucopyranoside C14H18O10 346.089996 NA MeJP NA NA +MJ040969 3,4,5-Trihydroxybenzoic acid; 3-Me ether, 5-O-?-D-glucopyranoside C14H18O10 346.089996 NA MeJP NA NA +MJ040970 6-Galloylglucose; ?-D-Pyranose-form, Me glycoside C14H18O10 346.089996 NA MeJP NA NA +MJ040971 8-Iminosanguinarine C20H14N2O4 346.095356 NA MeJP NA NA +MJ040972 Camptothecin, 18,19-Didehydro C20H14N2O4 346.095356 NA MeJP NA NA +MJ040973 Terfluranol, 3',3''-Difluoro C17H15F5O2 346.09922 NA MeJP NA NA +FL1CECNS0003 Hamilcone;3,4,6'-Trihydroxy-2',3',4'-trimethoxychalcone C18H18O7 346.10525 205444-64-0 knapsack NA NA +FL1DGANS0001 2',6'-Dihydroxy-4,3'-dimethoxy-4',5'-methylenedioxydihydrochalcone C18H18O7 346.10525 97868-10-5 knapsack NA NA +FL2FALNS0007 5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone C18H18O7 346.10525 625111-93-5 knapsack NA NA +FL2FE8NS0003 5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone C18H18O7 346.10525 100079-36-5 knapsack NA NA +FL2FECNS0001 5,3'-Dihydroxy-6,7,4'-trimethoxyflavanone C18H18O7 346.10525 111670-59-8 knapsack NA NA +FL2FECNS0002 Agestricin D C18H18O7 346.10525 85563-76-4 knapsack NA NA +FL2FF8NS0003 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone C18H18O7 346.10525 100079-35-4 knapsack NA NA +FL2FFCNS0002 5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone C18H18O7 346.10525 90850-98-9 knapsack NA NA +FL2FGANS0001 5,6-Dihydroxy-7,8,4'-trimethoxyflavanone C18H18O7 346.10525 75933-08-3 knapsack NA NA +FL2FGANS0002 5,4'-Dihydroxy-6,7,8-trimethoxyflavanone C18H18O7 346.10525 75933-09-4 knapsack NA NA +FLICQUNS0005 Amorphaquinone;7-Hydroxy-8,3',4'-trimethoxyisoflavanquinone C18H18O7 346.10525 70283-29-3 knapsack NA NA +FLID2GNS0001 2,8-Dihydroxy-3,9,10-trimethoxypterocarpan C18H18O7 346.10525 76474-66-3 knapsack NA NA +MJ040974 1,2,3,4,7-Pentahydroxyxanthone; Penta-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040975 1,2,3,4,8-Pentahydroxyxanthone; Penta-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040976 1,2,3,6,7-Pentahydroxyxanthone; Penta-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040977 1,2,3,7,8-Pentahydroxyxanthone; Penta-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040978 1,2,5,6,8-Pentahydroxyxanthone; Penta-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040979 1,3,4,5,6-Pentahydroxyxanthone; Penta-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040980 1,3,4,5,8-Pentahydroxyxanthone; Penta-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040981 1,3,5,6-Tetrahydroxy-2-prenylxanthone; 2',3'-Dihydro, 3'-hydroxy C18H18O7 346.105252 NA MeJP NA NA +MJ040982 2',3',4,4',5',6'-Hexahydroxydihydrochalcone; 3',4''-Di-Me, 4',5'-methylene ether C18H18O7 346.105252 NA MeJP NA NA +MJ040983 2',3,3',4,4',6'-Hexahydroxychalcone; 2',3',4'-Tri-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040984 2',4',5,5',7-Pentahydroxyisoflavanone, 2',4',5'-Tri-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040985 2',4,6,6'-Tetrahydroxy-4'-methylbenzophenone-2-carboxylic acid; 2',6-Di-Me ether, Me ester C18H18O7 346.105252 NA MeJP NA NA +MJ040986 2',4,6,6'-Tetrahydroxy-4'-methylbenzophenone-2-carboxylic acid; 4,6-Di-Me ether, Me ester C18H18O7 346.105252 NA MeJP NA NA +MJ040987 2',5,6',7,8-Pentahydroxyflavanone, 6',7,8-Tri-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040988 2',5,6,6',7-Pentahydroxyflavanone; 6,6',7-Tri-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040989 2,2'-(Oxydimethylene)bis[6-hydroxy-3,5-dimethyl-p-benzoquinone] C18H18O7 346.105252 NA MeJP NA NA +MJ040990 2,3,8,9,10-Pentahydroxypterocarpan; 3,9,10-Tri-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040991 2,3-Dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, Di-Ac C18H18O7 346.105252 NA MeJP NA NA +MJ040992 3',4',5,5',7-Pentahydroxyflavanone, 3',4',7-Tri-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040993 3',4',5,5',7-Pentahydroxyflavanone, 3',5',7-Tri-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040994 3',4',5,6,7-Pentahydroxyflavanone, 3',5,7-Tri-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040995 3',4',5,6,7-Pentahydroxyflavanone, 4',6,7-Tri-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040996 3',4',5,6,7-Pentahydroxyflavanone, 5,6,7-Tri-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040997 3',4',5,7,8-Pentahydroxyflavanone, 4',7,8-Tri-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ040998 3'-Methylevernic acid C18H18O7 346.105252 NA MeJP NA NA +MJ040999 3-(3,4-Dihydroxybenzyl)-5,6,7-trihydroxy-4-chromanone; 3',6-Di-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ041000 3-(3,4-Dihydroxybenzyl)-5,6,7-trihydroxy-4-chromanone; 4',6-Di-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ041001 3-(3,4-Dihydroxybenzyl)-5,7,8-trihydroxy-4-chromanone; 4',8-Di-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ041002 4',5,6,7,8-Pentahydroxyflavanone, 4',7,8-Tri-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ041003 4',5,6,7,8-Pentahydroxyflavanone, 6,7,8-Tri-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ041004 5,6,7,8-Tetrahydroxy-3-(4-hydroxybenzyl)-4-chromanone, 6,7-Di-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ041005 6-Methoxy-3',4'-dehydromurranganon; O-Ac C18H18O7 346.105252 NA MeJP NA NA +MJ041006 Adzharin C18H18O7 346.105252 NA MeJP NA NA +MJ041007 Amorphaquinone C18H18O7 346.105252 NA MeJP NA NA +MJ041008 Aviprin, 2'-Ac C18H18O7 346.105252 NA MeJP NA NA +MJ041009 Aviprin, 3'-Ac C18H18O7 346.105252 NA MeJP NA NA +MJ041010 Barbatic acid; O-De-Me C18H18O7 346.105252 NA MeJP NA NA +MJ041011 Calefolione; 2'-O-Angeloyl C18H18O7 346.105252 NA MeJP NA NA +MJ041012 Elaeocyanidin; O-De-Me C18H18O7 346.105252 NA MeJP NA NA +MJ041013 Frenolicin C18H18O7 346.105252 NA MeJP NA NA +MJ041014 Khellactone, Di-Ac C18H18O7 346.105252 NA MeJP NA NA +MJ041015 Kushecarpin C; Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ041016 Laurentiquinone C18H18O7 346.105252 NA MeJP NA NA +MJ041017 Lecanoric acid; 2,4-Di-Me ether C18H18O7 346.105252 NA MeJP NA NA +MJ041018 Obtusatic acid C18H18O7 346.105252 NA MeJP NA NA +MJ041019 Phomosine A C18H18O7 346.105252 NA MeJP NA NA +MJ041020 Podolactone E; 7?,8?-Epoxide C18H18O7 346.105252 NA MeJP NA NA +MJ041021 Salignone A C18H18O7 346.105252 NA MeJP NA NA +MJ041022 Senepoxide C18H18O7 346.105252 NA MeJP NA NA +MJ041023 Stigmahamone II C18H18O7 346.105252 NA MeJP NA NA +MJ041024 Vaginidiol; Di-O-Ac C18H18O7 346.105252 NA MeJP NA NA +MJ041025 Ventiloquinone M; Di-Me ether C18H18O7 346.105252 NA MeJP NA NA +MetaCyc03065 reduced-(S)-usnate [] C18H18O7 346.105253 NA metacyc NA NA +C02747 Reduced-(S)-usnate C18H18O7 346.1053 NA KEGG NA NA +C02749 S-Alkyl-L-cysteine C3H6NO2SR 346.1053 NA KEGG NA NA +C15591 2-Acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6- C18H18O7 346.1053 NA KEGG NA NA +C15592 Pyranose C18H18O7 346.1053 NA KEGG NA NA +C15593 2-Dehydropyranose C18H18O7 346.1053 NA KEGG NA NA +C15594 Pyranoside C18H18O7 346.1053 NA KEGG NA NA +C15595 3-Dehydropyranoside C18H18O7 346.1053 NA KEGG NA NA +C15596 n-Alkanal C18H18O7 346.1053 NA KEGG NA NA +C15597 Alk-2-enal C18H18O7 346.1053 NA KEGG NA NA +MJ041026 Almoxatone C18H19ClN2O3 346.10842 NA MeJP NA NA +MJ041027 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-1H-imidazo[4,5-b]pyridine; S-Oxide, (±) C16H18N4O3S 346.109961 NA MeJP NA NA +MJ041028 1-[2-(1,3-Dioxolan-2-yl)-2-methyl-6-nitro-2H-1-benzopyran-4-yl]-2-pyrrolidinone C17H18N2O6 346.116486 NA MeJP NA NA +MJ041029 Miraxanthin III; 3'-Hydroxy C17H18N2O6 346.116486 NA MeJP NA NA +MJ041030 Nifedipine C17H18N2O6 346.116486 NA MeJP NA NA +C07266 Nifedipine C17H18N2O6 346.1165 NA KEGG NA NA +C08557 Miraxanthin-V C17H18N2O6 346.1165 NA KEGG NA NA +FL3F29NF0001 Ovalifolin;6-[(3-Methyl-2-butenyl)oxy]-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one C22H18O4 346.1205 55303-88-3 knapsack NA NA +MJ041031 1-(4-Hydroxybenzyl)-2,4,7-phenanthrenetriol; 4-Me ether C22H18O4 346.120509 NA MeJP NA NA +MJ041032 1-Phenyl-1,2-ethanediol, Dibenzoyl C22H18O4 346.120509 NA MeJP NA NA +MJ041033 2-Hydroxy-9-phenyl-1H-phenalen-1-one; 3',4'-Dimethoxy, Me ether C22H18O4 346.120509 NA MeJP NA NA +MJ041034 4,4',5,5'-Tetrahydroxy-1,1'-binaphthyl; 5,5'-Di-Me ether C22H18O4 346.120509 NA MeJP NA NA +MJ041035 Diospyrol C22H18O4 346.120509 NA MeJP NA NA +MJ041036 Ovalifolin C22H18O4 346.120509 NA MeJP NA NA +MJ041037 1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-?-D-glucopyranoside C15H22O9 346.126382 NA MeJP NA NA +MJ041038 1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 4'-Me ether, 3'-O-?-D-glucopyranoside C15H22O9 346.126382 NA MeJP NA NA +MJ041039 1-(4-Hydroxyphenyl)-1,2,3-propanetriol, 1-O-?-D-Glucopyranoside C15H22O9 346.126382 NA MeJP NA NA +MJ041040 1-(4-Hydroxyphenyl)-1,2,3-propanetriol, 2-O-?-D-Glucopyranoside C15H22O9 346.126382 NA MeJP NA NA +MJ041041 1-(4-Hydroxyphenyl)-1,2,3-propanetriol, 3-O-?-D-Glucopyranoside C15H22O9 346.126382 NA MeJP NA NA +MJ041042 5-(Hydroxymethyl)-1,2,3-benzenetriol; 1,3-Di-Me ether, 2-O-?-D-glucopyranoside C15H22O9 346.126382 NA MeJP NA NA +MJ041043 Antirrhinoside; 5-Deoxy C15H22O9 346.126382 NA MeJP NA NA +MJ041044 Antirride; 6?-Hydroxy C15H22O9 346.126382 NA MeJP NA NA +MJ041045 Aucubigenin; 1-O-?-D-Glucopyranoside C15H22O9 346.126382 NA MeJP NA NA +MJ041046 Aucubigenin; 6-Epimer, 1-O-?-D-glucopyranoside C15H22O9 346.126382 NA MeJP NA NA +MJ041047 Capensioside; 10-Carboxylic acid C15H22O9 346.126382 NA MeJP NA NA +MJ041048 Catalpol; 6-Deoxy C15H22O9 346.126382 NA MeJP NA NA +MJ041049 Crescentoside C C15H22O9 346.126382 NA MeJP NA NA +MJ041050 Decaloside C15H22O9 346.126382 NA MeJP NA NA +MJ041051 Deutziogenin, 1-O-?-D-Glucopyranoside C15H22O9 346.126382 NA MeJP NA NA +MJ041052 Eranthemoside C15H22O9 346.126382 NA MeJP NA NA +MJ041053 Genistifolin; O-De-Ac C15H22O9 346.126382 NA MeJP NA NA +MJ041054 Isoaucubigenin; 1-O-?-D-Glucopyranoside C15H22O9 346.126382 NA MeJP NA NA +MJ041055 Secolinarioside C15H22O9 346.126382 NA MeJP NA NA +MJ041056 Thunaloside; 7-Ketone C15H22O9 346.126382 NA MeJP NA NA +MJ041057 Tomentoside; 7?-Hydroxy C15H22O9 346.126382 NA MeJP NA NA +C09771 Aucubin C15H22O9 346.1264 NA KEGG NA NA +C11671 Deutzioside C15H22O9 346.1264 NA KEGG NA NA +MJ041058 Chlorproethazine C19H23ClN2S 346.127047 NA MeJP NA NA +MJ041059 Acinetobactin C16H18N4O5 346.127719 NA MeJP NA NA +MJ041060 Flutrimazole C22H16F2N2 346.128154 NA MeJP NA NA +MJ041061 Clithioneine C13H22N4O5S 346.13109 NA MeJP NA NA +PJ000424 PCQ C13H22N4O5S 346.1311 NA PeJP NA NA +MJ041062 Beclobrinic acid, Et ester C20H23ClO3 346.133572 NA MeJP NA NA +MJ041063 Silvathione C18H22N2O3S 346.135113 NA MeJP NA NA +MJ041064 Palythenic acid, 2',3'-Dihydro, 3'-hydroxy C14H22N2O8 346.137615 NA MeJP NA NA +C01699 Gibberellin A3 C19H22O6 346.1416 NA KEGG NA NA +C09059 Alectrol C19H22O6 346.1416 NA KEGG NA NA +C09062 Antheridic acid C19H22O6 346.1416 NA KEGG NA NA +C09104 Hallactone A C19H22O6 346.1416 NA KEGG NA NA +C09174 Ponalactone A C19H22O6 346.1416 NA KEGG NA NA +C09190 Strigol C19H22O6 346.1416 NA KEGG NA NA +C09385 Cynaropicrin C19H22O6 346.1416 NA KEGG NA NA +C09512 Molephantin C19H22O6 346.1416 NA KEGG NA NA +C09547 Saupirin C19H22O6 346.1416 NA KEGG NA NA +C11855 Gibberellin A29-catabolite C19H22O6 346.1416 NA KEGG NA NA +C11856 Gibberellin A6 C19H22O6 346.1416 NA KEGG NA NA +C11869 Gibberellin A34-catabolite C19H22O6 346.1416 NA KEGG NA NA +HMDB03559 Gibberellin A3 C19H22O6 346.14163 http://www.hmdb.ca/metabolites/HMDB03559 HMDB NA NA +FL1DG9NS0002 Dihydrokanakugiol C19H22O6 346.14163 117842-21-4 knapsack NA NA +FL6DBBNM0001 3,4,7-Trihydroxy-5,4'-dimethoxy-6,8-dimethylflavan C19H22O6 346.14163 74761-25-4 knapsack NA NA +HMDB03559 Gibberellin A3 C19H22O6 346.14163 HMDB03559 PFEM_hmdb_metabocards_official NA NA +HMDB03559 Gibberellin A3 C19H22O6 346.141632 NA HMDB2010 NA NA +MJ041065 1,2-Bis(3,4,5-trihydroxyphenyl)ethane; 3,4-Methylene, 3',4',5,5'-tetra-Me ether C19H22O6 346.141638 NA MeJP NA NA +MJ041066 1,7-Bis(3,4-dihydroxyphenyl)-5-hydroxy-3-heptanone C19H22O6 346.141638 NA MeJP NA NA +MJ041067 1-(2,3,4,5,6-Pentahydroxyphenyl)-3-phenyl-1-propanone; 2',3',4',5'-Tetra-Me ether C19H22O6 346.141638 NA MeJP NA NA +MJ041068 15,16-Epoxy-2-hydroxy-19-nor-13(16),14-clerodadiene-17,12:18,6-diolide C19H22O6 346.141638 NA MeJP NA NA +MJ041069 15,16-Epoxy-6-hydroxy-19-nor-13(16),14-clerodadiene-17,12:18,2-diolide C19H22O6 346.141638 NA MeJP NA NA +MJ041070 19-Nor-2-oxo-3,13-clerodadiene-15,16:20,12-diolide C19H22O6 346.141638 NA MeJP NA NA +MJ041071 19-Nor-2-oxo-3,13-clerodadiene-16,15:20,12-diolide C19H22O6 346.141638 NA MeJP NA NA +MJ041072 2,3,8-Trihydroxy-4(15),10(14),11(13)guaiatrien-12,6-olide, 8-(2-Methylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041073 2,3-Dihydro-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-propanol, 3'-Me ether C19H22O6 346.141638 NA MeJP NA NA +MJ041074 2,3-Epoxy-14,15-dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14-Aldehyde, 15-(methylpropanoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041075 2,3-Epoxy-14,15-dihydroxy-1,3,11(13)-elematrien-12,8-olide, 14-Aldehyde, 15-(methylpropanoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041076 2,5-Epoxy-2,8-dihydroxy-1(10),3,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041077 2,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-O-(2-Hydroxymethylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041078 2-(3-Methyl-2-oxiranyl)-1,4-benzenediol; 1-O-(2,3-Epoxy-2-methylbutanoyl), 4-angeloyl C19H22O6 346.141638 NA MeJP NA NA +MJ041079 3',4',5',7,8-Pentahydroxyflavan, 3',4',5',7-Tetra-Me ether C19H22O6 346.141638 NA MeJP NA NA +MJ041080 3',4',5',7,8-Pentahydroxyflavan, 3',4',7,8-Tetra-Me ether C19H22O6 346.141638 NA MeJP NA NA +MJ041081 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3'-Me ether C19H22O6 346.141638 NA MeJP NA NA +MJ041082 3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 5-Me ether C19H22O6 346.141638 NA MeJP NA NA +MJ041083 3,10-Epoxy-3,8-dihydroxy-1,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041084 3,10-Epoxy-8-hydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 2-Methylpropenoyl C19H22O6 346.141638 NA MeJP NA NA +MJ041085 3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041086 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3'-Me ether C19H22O6 346.141638 NA MeJP NA NA +MJ041087 3,4,4',5,7-Pentahydroxy-6,8-dimethylflavan, 4',5-Di-Me ether C19H22O6 346.141638 NA MeJP NA NA +MJ041088 3,6-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 6-(3-Hydroxy-2-methylenepropanoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041089 3,8-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(2-Methylpropanoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041090 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-O-(2-Hydroxymethylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041091 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-(2-Hydroxymethylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041092 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041093 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041094 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, Di-Ac C19H22O6 346.141638 NA MeJP NA NA +MJ041095 4,15-Epoxy-3,8-dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041096 5,8-Dihydroxy-14-oxo-1(10),4(15),11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041097 5,8-Dihydroxy-14-oxo-4(15),9,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041098 5,8-Dihydroxy-2-oxo-1(10),3,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041099 5-Acetyl-2,3-dihydro-3,6,7-trihydroxy-2-isopropenylbenzofuran, 7-Me ether, 3-O-angeloyl C19H22O6 346.141638 NA MeJP NA NA +MJ041100 5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 6-Me ether, 3-O-(2-hydroxymethyl-2-butenoyl)(Z-) C19H22O6 346.141638 NA MeJP NA NA +MJ041101 6,10-Dihydroxy-2-furanoeremophilene-1,9-dione, 6-(2-Methylpropanoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041102 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 6-(2-Methylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041103 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 9-(2-Methylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041104 6-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, O-(2-Hydroxymethylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041105 7-(1-Hydroxyethyl)-6-methoxy-3-isopropylidene-1,4-benzodioxin-2(3H)-one; Angeloyl C19H22O6 346.141638 NA MeJP NA NA +MJ041106 8,13-Dihydroxy-1,1(10),4,7(11)-germacratetraen-12,6-olide, 8,13-Di-Ac C19H22O6 346.141638 NA MeJP NA NA +MJ041107 8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, 15-aldehyde, 8-(2-hydroxymethylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041108 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041109 8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-(2-methylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041110 8,15-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 8-(Methylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041111 8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methyl-2-propenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041112 8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 2'-O-(3-Methyl-2-butenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041113 8-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,2-diolide, 11?,13-Dihydro, 8-(2-methylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041114 8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 4?,5?-Epoxide, 8-(2-methylpropenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041115 8-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041116 Alectrol C19H22O6 346.141638 NA MeJP NA NA +MJ041117 Antheridic acid C19H22O6 346.141638 NA MeJP NA NA +MJ041118 Asadanin; 10-Alcohol C19H22O6 346.141638 NA MeJP NA NA +MJ041119 Betulatetraol C19H22O6 346.141638 NA MeJP NA NA +MJ041120 Ceanofendlin C19H22O6 346.141638 NA MeJP NA NA +MJ041121 Clausenidinaric acid C19H22O6 346.141638 NA MeJP NA NA +MJ041122 Eremantholide C C19H22O6 346.141638 NA MeJP NA NA +MJ041123 Eurycomalactone; 5,6-Didehydro C19H22O6 346.141638 NA MeJP NA NA +MJ041124 Gibberellenic acid C19H22O6 346.141638 NA MeJP NA NA +MJ041125 Gibberellin A3 C19H22O6 346.141638 NA MeJP NA NA +MJ041126 Gibberellin A5; 18-Hydroxy C19H22O6 346.141638 NA MeJP NA NA +MJ041127 Gibberellin A5; 1?-Hydroxy C19H22O6 346.141638 NA MeJP NA NA +MJ041128 Gibberellin A5; 2?,3?-Epoxide C19H22O6 346.141638 NA MeJP NA NA +MJ041129 Gibberellin A7; 11?-Hydroxy C19H22O6 346.141638 NA MeJP NA NA +MJ041130 Gibberellin A7; 12?-Hydroxy C19H22O6 346.141638 NA MeJP NA NA +MJ041131 Gibberellin A7; 15?-Hydroxy C19H22O6 346.141638 NA MeJP NA NA +MJ041132 Gibberellin A9; 1?-Hydroxy, 2?,3?-epoxide C19H22O6 346.141638 NA MeJP NA NA +MJ041133 Hallactone A C19H22O6 346.141638 NA MeJP NA NA +MJ041134 Humirianthenolide C C19H22O6 346.141638 NA MeJP NA NA +MJ041135 Khellactone, 9-O-(3-Methylbutanoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041136 Khellactone, 10-O-(2-Methylbutanoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041137 Khellactone, 10-O-(3-Methylbutanoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041138 Khellactone, 9-O-(3-Methylbutanoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041139 Nagilactone A; 2,3-Didehydro C19H22O6 346.141638 NA MeJP NA NA +MJ041140 Nagilactone C; 3-Deoxy C19H22O6 346.141638 NA MeJP NA NA +MJ041141 Orobanchol C19H22O6 346.141638 NA MeJP NA NA +MJ041142 Peucedanol, 2'-O-(3-Methyl-2-butenoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041143 Podolide; 2?,3?-Epoxide C19H22O6 346.141638 NA MeJP NA NA +MJ041144 Ponalactone A C19H22O6 346.141638 NA MeJP NA NA +MJ041145 Salignone H C19H22O6 346.141638 NA MeJP NA NA +MJ041146 Strigol C19H22O6 346.141638 NA MeJP NA NA +MJ041147 Vaginidiol; 3'O-(3-Methylbutanoyl) C19H22O6 346.141638 NA MeJP NA NA +MJ041148 Zearalenone, 5-Formyl C19H22O6 346.141638 NA MeJP NA NA +MetaCyc03066 GA3 [gibberellic acid;gibberellin A3;gibberellin;gibberellin A3;] C19H22O6 346.141638 NA metacyc NA NA +MetaCyc03067 GA34-catabolite [gibberellin A34-catabolite;gibberellin A34-catabolite;GA34-catabolite;] C19H22O6 346.141638 NA metacyc NA NA +MetaCyc03068 GA29-catabolite [gibberellin A29-catabolite;gibberellin A29-catabolite;GA29-catabolite;] C19H22O6 346.141638 NA metacyc NA NA +MJ041149 Lepidine E C20H18N4O2 346.142975 NA MeJP NA NA +MJ041150 Lepidine F C20H18N4O2 346.142975 NA MeJP NA NA +MJ041151 Lepidine; 8-Demethoxy, 10-hydroxy C20H18N4O2 346.142975 NA MeJP NA NA +MJ041152 Lepidine; O-De-Me C20H18N4O2 346.142975 NA MeJP NA NA +MJ041153 Traboxopine C19H23ClN2O2 346.144805 NA MeJP NA NA +PJ000425 AQE C13H22N4O7 346.1489 NA PeJP NA NA +3164 laminin-like peptide RGD 346.1489 celiac toxic Inhouse_peptide NA peptide +MJ041154 Cytosporin B C17H27ClO5 346.154701 NA MeJP NA NA +PJ000426 GDR C12H22N6O6 346.1601 NA PeJP NA NA +MJ041155 2,6-Dimethyl-2,6-octadiene-1,8-diol, 1-Carboxylic acid, ?-D-glucopyranosyl ester C16H26O8 346.162767 NA MeJP NA NA +MJ041156 3,4-Bis(hydroxymethyl)-5,5-dimethyl-2-cyclohexen-1-one; 1'-O-?-D-Glucopyranoside C16H26O8 346.162767 NA MeJP NA NA +MJ041157 3,4-Dihydroxy-2,6,6-trimethyl-1-cyclohexene-1-carboxaldehyde; 3-O-?-D-Glucopyranoside C16H26O8 346.162767 NA MeJP NA NA +MJ041158 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxylic acid; O-?-D-Glucopyranoside C16H26O8 346.162767 NA MeJP NA NA +MJ041159 4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-carboxylic acid; ?-D-Glucopyranosyl ester C16H26O8 346.162767 NA MeJP NA NA +MJ041160 4-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxylic acid; O-?-D-Glucopyranoside C16H26O8 346.162767 NA MeJP NA NA +MJ041161 6,9-Dihydroxyfenchone, 6-O-?-D-Glucopyranoside C16H26O8 346.162767 NA MeJP NA NA +MJ041162 8,10-Dihydroxyfenchone, 10-O-?-D-Glucopyranoside C16H26O8 346.162767 NA MeJP NA NA +MJ041163 8-Hydroxy-p-menth-1-en-7-oic acid, ?-D-Glucopyranos-1-yl ester C16H26O8 346.162767 NA MeJP NA NA +MJ041164 8-Hydroxy-p-menth-1-en-7-oic acid, ?-D-Glucopyranos-6-yl ester C16H26O8 346.162767 NA MeJP NA NA +MJ041165 9,10-Dihydroxyfenchone, 10-O-?-D-Glucopyranoside C16H26O8 346.162767 NA MeJP NA NA +MJ041166 Decapetaloside C16H26O8 346.162767 NA MeJP NA NA +MJ041167 Lamiol; 5,8-Dideoxy C16H26O8 346.162767 NA MeJP NA NA +MJ041168 Nepetaside C16H26O8 346.162767 NA MeJP NA NA +MJ041169 Villoside C16H26O8 346.162767 NA MeJP NA NA +3348 ACE inhibitor IWHHT 346.163 MH2+ Inhouse_peptide NA peptide +PJ000427 AAW C17H22N4O4 346.1641 NA PeJP NA NA +MJ041170 N-[[3-[4-(Aminoiminomethyl)phenyl]-4,5-dihydro-5-isoxazolyl]acetyl]-?-alanine, Et ester C17H22N4O4 346.164105 NA MeJP NA NA +PJ000428 PCK C14H26N4O4S 346.1675 NA PeJP NA NA +MJ041171 2,2-Di-1H-indol-3-yl-4-methylpentanoic acid C22H22N2O2 346.168127 NA MeJP NA NA +MJ041172 Cinnopentazone C22H22N2O2 346.168127 NA MeJP NA NA +MJ041173 Roxoperone C19H23FN2O3 346.16927 NA MeJP NA NA +8130 peptide derived from dried bonito EAK 346.173 anticancer Inhouse_peptide NA peptide +C17970 Spenolimycin C15H26N2O7 346.174 NA KEGG NA NA +MJ041174 Spenolimycin C15H26N2O7 346.174001 NA MeJP NA NA +C09509 Microhelenin C C20H26O5 346.178 NA KEGG NA NA +C09518 Nobilin C20H26O5 346.178 NA KEGG NA NA +C11861 Gibberellin A24 C20H26O5 346.178 NA KEGG NA NA +C12308 Gibberellin A44 C20H26O5 346.178 NA KEGG NA NA +C12309 Esmeraldin A C30H21N4O5R 346.178 NA KEGG NA NA +C14161 Gibberellin A37 C20H26O5 346.178 NA KEGG NA NA +MJ041175 1,10-Epoxy-6-hydroxy-3,11(13)-germacradien-12,8-olide, Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041176 1,10-Epoxy-6-hydroxy-4,11(13)-germacradien-12,8-olide, 6-(3-Methyl-2-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041177 1,10-Epoxy-6-hydroxy-4,11(13)-germacradien-12,8-olide, Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041178 1,10-Epoxy-6-hydroxy-4,11(13)-germacradien-12,8-olide, 6-(3-Methyl-2-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041179 1,10-Epoxy-6-hydroxy-4,11(13)-germacradien-12,8-olide, 6-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041180 1,10-Epoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041181 1,10-Epoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, 8-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041182 1,10-Epoxyfuranoeremophilan-6-ol, O-(4-Hydroxy-2-methyl-2-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041183 1,10-Epoxyfuranoeremophilane-3,6-diol, 6-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041184 1,10-Epoxyfuranoeremophilane-3,6-diol, 3-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041185 1,10-Epoxyfuranoeremophilane-3,6-diol, 6-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041186 1,10-Epoxyfuranoeremophilane-6,9-diol, 6-(3-Methyl-2-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041187 1,10-Epoxyfuranoeremophilane-6,9-diol, 6-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041188 1,10-Epoxyfuranoeremophilane-6,9-diol, 6-(3-Methyl-2-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041189 1,10-Epoxyfuranoeremophilane-6,9-diol, 6-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041190 1,10-Epoxyfuranoeremophilane-6,9-diol, 6-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041191 1,12-Dihydroxy-15-oxo-9(11),16-kauradien-19-oic acid C20H26O5 346.178023 NA MeJP NA NA +MJ041192 1,13-Dihydroxy-15-oxo-9(11),16-kauradien-19-oic acid C20H26O5 346.178023 NA MeJP NA NA +MJ041193 1,20-Epoxy-1,3(20),6,10,14-phytapentaene-18,19-dioic acid C20H26O5 346.178023 NA MeJP NA NA +MJ041194 1,3,13-Clerodatrien-15,16-olid-18-oic acid; 5?-form, 16-Oxo, 15?-alcohol (lactol) C20H26O5 346.178023 NA MeJP NA NA +MJ041195 1,3,13-Clerodatrien-15,16-olid-18-oic acid; 5?-form, 16?-Hydroxy C20H26O5 346.178023 NA MeJP NA NA +MJ041196 1,6-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 6-(3-Methylbutenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041197 1,6-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 6-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041198 1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide, 6-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041199 1,6-Dihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041200 1,6-Dihydroxyfuranoeremophilan-9-one, 6-(3-Methyl-2-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041201 1,6-Dihydroxyfuranoeremophilan-9-one, 6-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041202 1,6-Dihydroxyfuranoeremophilan-9-one, 6-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041203 1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041204 1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041205 1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041206 1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041207 1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041208 1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 8-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041209 1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 8-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041210 1,9-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041211 1-Hydroxy-3,13-clerodadiene-15,16:18,19-diolide C20H26O5 346.178023 NA MeJP NA NA +MJ041212 1-Hydroxy-8,15(17)-abietadien-16,11-olid-19-oic acid C20H26O5 346.178023 NA MeJP NA NA +MJ041213 10-Hydroxy-2-oxo-8-daucen-12,5-olide, 10-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041214 11,12,14-Trihydroxy-8,11,13-abietatriene-3,7-dione C20H26O5 346.178023 NA MeJP NA NA +MJ041215 11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione C20H26O5 346.178023 NA MeJP NA NA +MJ041216 11,12,16-Trihydroxy-8,11,13-abietatrien-20,7-olide C20H26O5 346.178023 NA MeJP NA NA +MJ041217 11,12-Epoxy-8-hydroxy-13-oxo-3,6,15(17)-cembratrien-16,2-olide C20H26O5 346.178023 NA MeJP NA NA +MJ041218 11,14,16-Trihydroxy-7,9(11),13-abietatriene-6,12-dione C20H26O5 346.178023 NA MeJP NA NA +MJ041219 11,15,19-Trihydroxy-3,12-cyathadien-14-one; 11?-form, 19-Carboxylic acid, 15-aldehyde C20H26O5 346.178023 NA MeJP NA NA +MJ041220 12-Hydroxy-3,13-clerodadiene-15,16:18,19-diolide C20H26O5 346.178023 NA MeJP NA NA +MJ041221 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14-Aldehyde, 15-(2-methylbutanoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041222 14,15-Epoxy-14-hydroxy-5(15)-isocedren-12,4-olide, 2-Methylbutanoyl C20H26O5 346.178023 NA MeJP NA NA +MJ041223 14,15-Epoxy-14-hydroxy-5(15)-isocedren-12,4-olide, 3-Methylbutanoyl C20H26O5 346.178023 NA MeJP NA NA +MJ041224 14-Hydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 1?,10?-Epoxide, O-angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041225 15,16-Epoxy-1,7-dihydroxy-3,13(16),14-clerodatrien-18,19-olide C20H26O5 346.178023 NA MeJP NA NA +MJ041226 15,16-Epoxy-6,19-dihydroxy-8(17),13(16),14-labdatriene-3,12-dione C20H26O5 346.178023 NA MeJP NA NA +MJ041227 15,16-Epoxy-6,7,9-trihydroxy-13(16),14-labdadien-19-oic acid, 7-Ketone, 19?6 lactone C20H26O5 346.178023 NA MeJP NA NA +MJ041228 15,16-Epoxy-6,9-dihydroxy-3-oxo-13(16),14-labdadien-19-oic acid, 19?6 Lactone C20H26O5 346.178023 NA MeJP NA NA +MJ041229 17-Hydroxy-3,13-clerodadiene-15,16:18,19-diolide C20H26O5 346.178023 NA MeJP NA NA +MJ041230 2,17,19-Trihydroxy-1,13(16)14-spongiatrien-3-one C20H26O5 346.178023 NA MeJP NA NA +MJ041231 2,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 2-(3-Methyl-2-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041232 2,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 2-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041233 2,3-Epoxy-1-hydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041234 2,4-Dihydroxy-3-cedrene-1,5-dione, 2-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041235 2,5-Dihydroxy-2,5,10-bisabolatriene-1,4-dione; 2-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041236 2,6,7,11-Tetrahydroxy-5,7,9(11),13-abietatetraen-12-one; 2?-form C20H26O5 346.178023 NA MeJP NA NA +MJ041237 2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041238 2-Bornanol, O-(4-Acetoxy-3-methoxybenzoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041239 2-Hydroxy-11,14-dioxo-8,12-abietadien-19-oic acid C20H26O5 346.178023 NA MeJP NA NA +MJ041240 2-Hydroxy-3,13-clerodadiene-15,16:18,19-diolide C20H26O5 346.178023 NA MeJP NA NA +MJ041241 2-Hydroxy-3,13-clerodadiene-15,16:18,6-diolide C20H26O5 346.178023 NA MeJP NA NA +MJ041242 2-Hydroxy-3,13-clerodadiene-16,15:17,19-diolide C20H26O5 346.178023 NA MeJP NA NA +MJ041243 3,11,12-Trihydroxy-8,11,13-abietatriene-6,7-dione C20H26O5 346.178023 NA MeJP NA NA +MJ041244 3,3',4,4',7-Pentahydroxylignan, 3,3'-Di-Me ether C20H26O5 346.178023 NA MeJP NA NA +MJ041245 3,4-Epoxy-1-hydroxy-7(14),10-bisaboladiene-2,8-dione; O-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041246 3,4-Epoxy-2-hydroxy-1(10),11(13)-guaiadien-12,6-olide, (2-Methylbutanoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041247 3,4:15,16-Diepoxy-12-oxo-13(16),14-clerodadien-17-oic acid C20H26O5 346.178023 NA MeJP NA NA +MJ041248 3,4:15,16-Diepoxy-2-hydroxy-13(16),14-clerodadien-20,12-olide C20H26O5 346.178023 NA MeJP NA NA +MJ041249 3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 3-Ketone, 6-angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041250 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041251 3,8-Dihydroxy-4-rotunden-13,6-olide, 8-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041252 3-Hydroxy-8-oxo-6,9-eremophiladien-12-oic acid, 3-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041253 3-Hydroxyfuranoeremophilan-15-oic acid, 3-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041254 3-Phenyl-1-(2,3,4,6-tetrahydroxyphenyl)-1-propanol, 1-Et, 3',4',6'-tri-Me ether C20H26O5 346.178023 NA MeJP NA NA +MJ041255 4,5-Epoxy-6-hydroxy-1(10),11(13)-germacradien-12,8-olide, Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041256 4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, (3-Methyl-2-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041257 4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041258 4,6-Dihydroxyfuranoeremophilan-9-one, 6-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041259 4,6-Dihydroxyfuranoeremophilan-9-one, 6-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041260 5,10:15,16-Diepoxy-3-hydroxy-13(16),14-halimadien-20,12-olide C20H26O5 346.178023 NA MeJP NA NA +MJ041261 6,7,11-Trihydroxy-15-oxo-16-kauren-19-oic acid, (19?6)-Lactone C20H26O5 346.178023 NA MeJP NA NA +MJ041262 6,7,9-Trihydroxy-8(14),15-isopimaradien-20,6-olide, 7-Ketone C20H26O5 346.178023 NA MeJP NA NA +MJ041263 6,9-Dihydroxyfuranoeremophilan-1-one, 6-(3-Methyl-2-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041264 6,9-Dihydroxyfuranoeremophilan-1-one, 6-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041265 6,9-Dihydroxyfuranoeremophilan-1-one, 6-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041266 6-Hydroxy-2-oxo-3-guaien-12,8-olide, 6-O-(3-methyl-2-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041267 6-Hydroxy-3,13-clerodadiene-16,15:17,19-diolide C20H26O5 346.178023 NA MeJP NA NA +MJ041268 6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, 3-Methyl-2-butenoyl C20H26O5 346.178023 NA MeJP NA NA +MJ041269 6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041270 6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041271 6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041272 6-Hydroxyfuranoeremophilan-9-one, O-(2,3-Epoxy-2-methylbutanoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041273 7,11,12-Trihydroxy-6-oxo-8,11,13-abietatrien-20-oic acid; 7?-form, 6-Deoxo, 7-ketone C20H26O5 346.178023 NA MeJP NA NA +MJ041274 7,12-Dihydroxy-11,14-dioxo-8,12-abietadien-19-al; 7?-form C20H26O5 346.178023 NA MeJP NA NA +MJ041275 7,12-Dihydroxy-8,12-abietadiene-11,14,20-trione; 7?-form C20H26O5 346.178023 NA MeJP NA NA +MJ041276 7,20-Epoxy-6,7,15-trihydroxy-2,16-kauradien-1-one C20H26O5 346.178023 NA MeJP NA NA +MJ041277 7-Hydroxy-3,13-clerodadiene-15,16;18,19-diolide C20H26O5 346.178023 NA MeJP NA NA +MJ041278 7-Hydroxy-3,13-clerodadiene-16,15:18,19-diolide C20H26O5 346.178023 NA MeJP NA NA +MJ041279 8,10-Dihydroxy-1,4-guaiadien-12,6-olide, 8-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041280 8,10-Dihydroxy-1,4-guaiadien-12,6-olide, 8-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041281 8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041282 8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041283 8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041284 8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041285 8,14-Dihydroxy-4-isocedren-15,14-olide; 8-O-(3-Methyl-2-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041286 8,14-Epoxy-13(15)-abieten-16,12-olide, 17-Hydroxy, 11?,12?-epoxide C20H26O5 346.178023 NA MeJP NA NA +MJ041287 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041288 8,16;16,17-Bisepoxyacritoconfertoic acid C20H26O5 346.178023 NA MeJP NA NA +MJ041289 8,17:15,16-Diepoxy-6,9-dihydroxy-13(16),14-labdadien-19-oic acid, 19?6 Lactone C20H26O5 346.178023 NA MeJP NA NA +MJ041290 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Methyl-2-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041291 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041292 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(3-Methyl-2-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041293 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041294 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041295 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041296 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Ketone, O-(2-methylbutanoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041297 8,9-Dihydroxymontahibisciolide, 8-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041298 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041299 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041300 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 4?,5?-Epoxide, 8-tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041301 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041302 8-Hydroxy-1,3,11(13)-elematrien-12,6-olide, 8-(4-Hydroxy-2-methylbutenoyl) (E-) C20H26O5 346.178023 NA MeJP NA NA +MJ041303 8-Hydroxy-1-oxo-4-eudesmen-12,6-olide, Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041304 8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 2-Methylbutanoyl C20H26O5 346.178023 NA MeJP NA NA +MJ041305 8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 3-Methylbutanoyl C20H26O5 346.178023 NA MeJP NA NA +MJ041306 8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 2-Methylbutanoyl C20H26O5 346.178023 NA MeJP NA NA +MJ041307 8-Hydroxy-14-oxo-1(10),4-germacradien-12,6-olide, 8-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041308 8-Hydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041309 8-Hydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041310 9,12-Epoxy-3,7,15(17)-cembratrien-16,2-olid-19-oic acid C20H26O5 346.178023 NA MeJP NA NA +MJ041311 9,13:15,16-Diepoxy-12-oxo-14-labden-19,6-olide C20H26O5 346.178023 NA MeJP NA NA +MJ041312 9-Hydroxylasiolaenolide C20H26O5 346.178023 NA MeJP NA NA +MJ041313 Cannabielsoic acid B; 3-Propyl analogue C20H26O5 346.178023 NA MeJP NA NA +MJ041314 Cariocal C20H26O5 346.178023 NA MeJP NA NA +MJ041315 Carnosol; 6?-Hydroxy C20H26O5 346.178023 NA MeJP NA NA +MJ041316 Carnosolone C20H26O5 346.178023 NA MeJP NA NA +MJ041317 Coleon J C20H26O5 346.178023 NA MeJP NA NA +MJ041318 Cyclopampeanone; 7,10-Diepimer, O-tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041319 Enmein; 3-Deoxy C20H26O5 346.178023 NA MeJP NA NA +MJ041320 FCRR Toxin C20H26O5 346.178023 NA MeJP NA NA +MJ041321 Fujenal; 8-Carboxylic acid C20H26O5 346.178023 NA MeJP NA NA +MJ041322 Furanoeremophil-1(10)-ene-3,4,6-triol, 3-(3-Methyl-2-butenoyl) C20H26O5 346.178023 NA MeJP NA NA +MJ041323 Furanoeremophil-1(10)-ene-3,4,6-triol, 3-Angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041324 Furanoeremophil-1(10)-ene-3,6-diol, 6-Propanoyl, 3-Ac C20H26O5 346.178023 NA MeJP NA NA +MJ041325 Furanoeremophil-1(10)-ene-4,6-diol, 1,10-Epoxide, 6-angeloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041326 Gelomulide J C20H26O5 346.178023 NA MeJP NA NA +MJ041327 Gibberellin A15; 12?-Hydroxy C20H26O5 346.178023 NA MeJP NA NA +MJ041328 Gibberellin A15; 12?-Hydroxy C20H26O5 346.178023 NA MeJP NA NA +MJ041329 Gibberellin A15; 15?-Hydroxy C20H26O5 346.178023 NA MeJP NA NA +MJ041330 Gibberellin A15; 3?-Hydroxy C20H26O5 346.178023 NA MeJP NA NA +MJ041331 Gibberellin A24 C20H26O5 346.178023 NA MeJP NA NA +MJ041332 Gibberellin A44 C20H26O5 346.178023 NA MeJP NA NA +MJ041333 Gravelliferone; Me ether, 2',3'-dihydro, 2',3'-dihydroxy C20H26O5 346.178023 NA MeJP NA NA +MJ041334 Hamigeran A; Debromo C20H26O5 346.178023 NA MeJP NA NA +MJ041335 Helinudiquinone C20H26O5 346.178023 NA MeJP NA NA +MJ041336 Incanpteroniolide; 6-Hydroxy C20H26O5 346.178023 NA MeJP NA NA +MJ041337 Lanugone L C20H26O5 346.178023 NA MeJP NA NA +MJ041338 Laxiflorin A C20H26O5 346.178023 NA MeJP NA NA +MJ041339 Longirabdacetal C20H26O5 346.178023 NA MeJP NA NA +MJ041340 Ludongnin A; 11-Deoxy C20H26O5 346.178023 NA MeJP NA NA +MJ041341 Marmin, 7'-Me ether C20H26O5 346.178023 NA MeJP NA NA +MJ041342 Morinin A; 4'-(3-Methylbutanoyloxy) C20H26O5 346.178023 NA MeJP NA NA +MJ041343 Pallavicinin; 18-Hydroxy C20H26O5 346.178023 NA MeJP NA NA +MJ041344 Pampeanone; O-Tigloyl C20H26O5 346.178023 NA MeJP NA NA +MJ041345 Ponicidin; 1-Deoxy C20H26O5 346.178023 NA MeJP NA NA +MJ041346 Premarrubiin, 3-Oxo C20H26O5 346.178023 NA MeJP NA NA +MJ041347 Pulic acid C20H26O5 346.178023 NA MeJP NA NA +MJ041348 Pyrrhopappolide C20H26O5 346.178023 NA MeJP NA NA +MJ041349 Rabdoserrin A C20H26O5 346.178023 NA MeJP NA NA +MJ041350 Rosmanol C20H26O5 346.178023 NA MeJP NA NA +MJ041351 Rubifol C20H26O5 346.178023 NA MeJP NA NA +MJ041352 Secochiliolide aldehyde; 3-Carboxylic acid C20H26O5 346.178023 NA MeJP NA NA +MJ041353 Spongialactone A C20H26O5 346.178023 NA MeJP NA NA +MJ041354 Strictic acid; 13,16-Dihydro, 16-oxo, 14,15-epoxide C20H26O5 346.178023 NA MeJP NA NA +MJ041355 Taiwaniaquinone B C20H26O5 346.178023 NA MeJP NA NA +MJ041356 Teuvincenone G; 3-Deoxy, 17-hydroxy C20H26O5 346.178023 NA MeJP NA NA +MJ041357 Trichorabdal D; 3-Deoxy, 18-deacetoxy C20H26O5 346.178023 NA MeJP NA NA +MJ041358 Trichorabdal E; 11-Deoxy, 3-deacetoxy C20H26O5 346.178023 NA MeJP NA NA +MJ041359 Verimol G C20H26O5 346.178023 NA MeJP NA NA +MJ041360 Wederegiolide; 15?-Hydroxy C20H26O5 346.178023 NA MeJP NA NA +MJ041361 Wederegiolide; 15?-Hydroxy C20H26O5 346.178023 NA MeJP NA NA +MetaCyc03069 GA44 (closed lactone form) [gibberellin A44 (closed lactone form);gibberellin A44 (closed lactone form);GA44 (closed lactone form);] C20H26O5 346.178024 NA metacyc NA NA +MetaCyc03070 GA24 [gibberellin A24;gibberellin A24;GA24;] C20H26O5 346.178024 NA metacyc NA NA +MetaCyc03071 GA37 (closed lactone form) [GA37 (closed lactone form);gibberellin A37 (closed lactone form);gibberellin A37 (closed lactone form);] C20H26O5 346.178024 NA metacyc NA NA +3783 NA HCQRPR 346.185 MH2+ Inhouse_peptide NA peptide +PJ000429 SLQ C14H26N4O6 346.1852 NA PeJP NA NA +PJ000430 AKE C14H26N4O6 346.1853 NA PeJP NA NA +MJ041362 Pseudophrynaminol, ar,ar-Dimethoxy, 4'-carboxylic acid, Me ester C19H26N2O4 346.189257 NA MeJP NA NA +C15079 9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione C21H27FO3 346.1944 NA KEGG NA NA +C15327 6alpha-Fluoropregn-4-ene-3,11,20-trione C21H27FO3 346.1944 NA KEGG NA NA +PJ000431 ATR C13H26N6O5 346.1965 NA PeJP NA NA +MetaCyc03072 3-hydroxytetradecane-1,3,4-tricarboxylate [] C17H30O7 346.199153 NA metacyc NA NA +C04529 (3S,4S)-3-Hydroxytetradecane-1,3,4-tricarboxylate C17H30O7 346.1992 NA KEGG NA NA +MJ041363 Roxindole C23H26N2O 346.204513 NA MeJP NA NA +C02140 Corticosterone C21H30O4 346.2144 NA KEGG NA NA +C02942 3-Oxo-hydroxysteroid C21H30O4 346.2144 NA KEGG NA NA +C05477 21-Hydroxy-5beta-pregnane-3,11,20-trione C21H30O4 346.2144 NA KEGG NA NA +C05488 11-Deoxycortisol C21H30O4 346.2144 NA KEGG NA NA +C05497 21-Deoxycortisol C21H30O4 346.2144 NA KEGG NA NA +C06391 Algestone C21H30O4 346.2144 NA KEGG NA NA +C15002 11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione C21H30O4 346.2144 NA KEGG NA NA +C15015 2beta,21-Dihydroxypregn-4-ene-3,20-dione C21H30O4 346.2144 NA KEGG NA NA +C15304 3beta,19-Dihydroxyandrost-5-en-17-one 3-acetate C21H30O4 346.2144 NA KEGG NA NA +C15363 6beta,11alpha-Dihydroxyprogesterone C21H30O4 346.2144 NA KEGG NA NA +C15365 4-Pregnene-16alpha,21-diol-3,20-dione C21H30O4 346.2144 NA KEGG NA NA +MJ041364 21-Hydroxy-5beta-pregnane-3,11,20-trione C21H30O4 346.214409 NA MeJP NA NA +MJ041365 11-Deoxycortisol C21H30O4 346.214409 NA MeJP NA NA +MJ041366 21-Deoxycortisol C21H30O4 346.214409 NA MeJP NA NA +MJ041367 Corticosterone C21H30O4 346.214409 NA MeJP NA NA +MJ041368 1-[3-(3,7-Dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl]-2-methyl-1-butanone C21H30O4 346.214409 NA MeJP NA NA +MJ041369 1-[3-(3,7-Dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl]-3-methyl-1-butanone C21H30O4 346.214409 NA MeJP NA NA +MJ041370 11,12,14-Trihydroxy-8,11,13-abietatrien-7-one; 12-Me ether C21H30O4 346.214409 NA MeJP NA NA +MJ041371 11,12-Dihydroxy-8,11,13-abietatrien-18-oic acid; 12-Me ether C21H30O4 346.214409 NA MeJP NA NA +MJ041372 11,14,19-Trihydroxy-8,11,13-abietatrien-3-one; 14-Me ether C21H30O4 346.214409 NA MeJP NA NA +MJ041373 11,14,19-Trihydroxy-8,11,13-abietatrien-3-one; ent-form, 14-Me ether C21H30O4 346.214409 NA MeJP NA NA +MJ041374 11,14-Epoxy-7-hydroxy-4,8(17)-briaradien-18,7-olide, Me ether C21H30O4 346.214409 NA MeJP NA NA +MJ041375 11,21-Dihydroxypregn-4-ene-3,20-dione; 11?-form C21H30O4 346.214409 NA MeJP NA NA +MJ041376 11,21-Dihydroxypregn-4-ene-3,20-dione; 11?-form C21H30O4 346.214409 NA MeJP NA NA +MJ041377 12,14,19-Trihydroxy-8,11,13-abietatrien-3-one; 12-Me ether C21H30O4 346.214409 NA MeJP NA NA +MJ041378 12-Isoprenyl-3-cedrene-14,19-dioic acid; 19-Me ester C21H30O4 346.214409 NA MeJP NA NA +MJ041379 13,17-Epoxy-16-hydroxy-9(11)-kauren-19-oic acid, Me ester C21H30O4 346.214409 NA MeJP NA NA +MJ041380 15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-18-oic acid, Me ester C21H30O4 346.214409 NA MeJP NA NA +MJ041381 15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 18-Carboxylic acid, 19-Me ether C21H30O4 346.214409 NA MeJP NA NA +MJ041382 15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatrien-18-oic acid, Me ester C21H30O4 346.214409 NA MeJP NA NA +MJ041383 15-Hydroxy-17-nor-5,6-seco-7,9(11)-spongiadien-16,15-olide; 15?-form, Ac C21H30O4 346.214409 NA MeJP NA NA +MJ041384 16,17-Dihydroxypregn-4-ene-3,20-dione C21H30O4 346.214409 NA MeJP NA NA +MJ041385 17,21-Dihydroxypregn-4-ene-3,20-dione C21H30O4 346.214409 NA MeJP NA NA +MJ041386 18(4?3)-Abeo-8-hydroxy-19-oxo-3,15-isopimararadien-18-oic acid, Me ester C21H30O4 346.214409 NA MeJP NA NA +MJ041387 2,16-Epoxy-13-hydroxy-1(15),3,7,11-cembratetraen-18-oic acid, Me ester C21H30O4 346.214409 NA MeJP NA NA +MJ041388 2,16-Epoxy-13-hydroxy-1(15),3,7,11-cembratetraen-20-oic acid, Me ester C21H30O4 346.214409 NA MeJP NA NA +MJ041389 2,16:11,12-Diepoxy-1(15),3,7-cembratrien-19-oic acid, Me ester C21H30O4 346.214409 NA MeJP NA NA +MJ041390 2,3,12-Trihydroxypregna-4,7-dien-20-one C21H30O4 346.214409 NA MeJP NA NA +MJ041391 2,3,4-Trimethoxyestra-1,3,5(10)-trien-17-ol C21H30O4 346.214409 NA MeJP NA NA +MJ041392 2-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid; 2?-form, 3-Methyl-2-butenoyl, Me ester C21H30O4 346.214409 NA MeJP NA NA +MJ041393 2-Methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-propanone; 4-O-(3,7-dimethyl-2E,6E-octadienyl) C21H30O4 346.214409 NA MeJP NA NA +MJ041394 3,11,12-Trihydroxy-8,11,13-abietatrien-7-one, 3-Ketone, 7?-alcohol, 12-Me ether C21H30O4 346.214409 NA MeJP NA NA +MJ041395 3,4:15,16-Diepoxy-13(16),14-clerodadien-18-oic acid, Me ester C21H30O4 346.214409 NA MeJP NA NA +MJ041396 3,7,20-Trihydroxypregn-4-en-15-one, 20-Ketone C21H30O4 346.214409 NA MeJP NA NA +MJ041397 4'-O-Geranylsinapyl alcohol C21H30O4 346.214409 NA MeJP NA NA +MJ041398 4-Deoxyadhumulone C21H30O4 346.214409 NA MeJP NA NA +MJ041399 4-Deoxyhumulone C21H30O4 346.214409 NA MeJP NA NA +MJ041400 4-[2-(3-Cyclohexyl-3-hydroxy-1-propynyl)-3-hydroxybicyclo[4.2.0]oct-7-ylidene]butanoic acid C21H30O4 346.214409 NA MeJP NA NA +MJ041401 6,11,12-Trihydroxy-8,11,13-abietatrien-7-one; 6?-form, 12-Me ether C21H30O4 346.214409 NA MeJP NA NA +MJ041402 6-Hydroxyfuranoeremophilan-9-one, 3-Methylpentanoyl C21H30O4 346.214409 NA MeJP NA NA +MJ041403 7,12-Dihydroxy-13-cassen-15-yn-17-oic acid, Me ester C21H30O4 346.214409 NA MeJP NA NA +MJ041404 7,12-Dihydroxy-8,12-abietadiene-11,14-dione; 7?-form, 12-Me ether C21H30O4 346.214409 NA MeJP NA NA +MJ041405 7,12-Dihydroxy-8,12-abietadiene-11,14-dione; 7?-form, 7-Me ether C21H30O4 346.214409 NA MeJP NA NA +MJ041406 8(17),13-Labdadien-16,15-olid-19-oic acid; Me ester C21H30O4 346.214409 NA MeJP NA NA +MJ041407 8,15-Seco-16-kauren-15,8-olid-20-oic acid; ent-form, Me ester C21H30O4 346.214409 NA MeJP NA NA +MJ041408 8-Hydroxy-12-oxo-13,15(17)-abietadien-16-oic acid, Me ester C21H30O4 346.214409 NA MeJP NA NA +MJ041409 Aspergillodiol C21H30O4 346.214409 NA MeJP NA NA +MJ041410 Cannabitriol C21H30O4 346.214409 NA MeJP NA NA +MJ041411 Dimeroperatic acid; Me ester C21H30O4 346.214409 NA MeJP NA NA +MJ041412 Furanoeremophilane-1,10-diol, 1-(3-Methyl-2-pentenoyl) C21H30O4 346.214409 NA MeJP NA NA +MJ041413 Furanoeremophilane-6,10-diol, 6-(3-Methyl-2-pentenoyl) C21H30O4 346.214409 NA MeJP NA NA +MJ041414 Gingerdiones; [10]Gingerdione, 1',2'-Didehydro C21H30O4 346.214409 NA MeJP NA NA +MJ041415 Printzianic acid; 5?-Methoxy, 10?-hydro C21H30O4 346.214409 NA MeJP NA NA +MJ041416 Rapiculin C21H30O4 346.214409 NA MeJP NA NA +MJ041417 Stapelogenin C21H30O4 346.214409 NA MeJP NA NA +MJ041418 Tricycloalternarene 3a; 1-Hydroxy C21H30O4 346.214409 NA MeJP NA NA +MJ041419 Ulocladol A; 1-Hydroxy C21H30O4 346.214409 NA MeJP NA NA +MJ041420 Vallartanone A C21H30O4 346.214409 NA MeJP NA NA +MetaCyc03073 11-deoxy-cortisol [substance s, reichstein's;11-desoxycortisone;cortexolone;11-desoxycortisol;reichstein's substance S;cortodoxone;] C21H30O4 346.214409 152-58-9 metacyc NA NA +MetaCyc03074 iso-humulone [] C21H30O4 346.214409 NA metacyc NA NA +MetaCyc03075 diprenylphlorisovalerophenone [deoxyhumulone;] C21H30O4 346.214409 NA metacyc NA NA +MetaCyc03076 corticosterone [] C21H30O4 346.214409 NA metacyc NA NA +HMDB00015 Cortexolone C21H30O4 346.214417 NA HMDB2010 NA NA +HMDB01547 Corticosterone C21H30O4 346.214417 NA HMDB2010 NA NA +HMDB04030 21-Deoxycortisol C21H30O4 346.214417 NA HMDB2010 NA NA +HMDB06756 21-Hydroxy-5b-pregnane-3,11,20-trione C21H30O4 346.214417 NA HMDB2010 NA NA +HMDB00015 Cortexolone C21H30O4 346.21442 http://www.hmdb.ca/metabolites/HMDB00015 PFEM_hmdb_metabocards_urine NA urine +HMDB00015 Cortexolone C21H30O4 346.21442 http://www.hmdb.ca/metabolites/HMDB00015 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01547 Corticosterone C21H30O4 346.21442 http://www.hmdb.ca/metabolites/HMDB01547 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04030 21-Deoxycortisol C21H30O4 346.21442 http://www.hmdb.ca/metabolites/HMDB04030 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00015 Cortexolone C21H30O4 346.21442 http://www.hmdb.ca/metabolites/HMDB00015 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00015 Cortexolone C21H30O4 346.21442 http://www.hmdb.ca/metabolites/HMDB00015 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00015 Cortexolone C21H30O4 346.21442 http://www.hmdb.ca/metabolites/HMDB00015 HMDB NA NA +HMDB01547 Corticosterone C21H30O4 346.21442 http://www.hmdb.ca/metabolites/HMDB01547 HMDB NA NA +HMDB04030 21-Deoxycortisol C21H30O4 346.21442 http://www.hmdb.ca/metabolites/HMDB04030 HMDB NA NA +HMDB06756 21-Hydroxy-5beta-pregnane-3,11,20-trione C21H30O4 346.21442 http://www.hmdb.ca/metabolites/HMDB06756 HMDB NA NA +HMDB00015 Cortexolone C21H30O4 346.21442 http://www.hmdb.ca/metabolites/HMDB00015 PFEM_hmdb_metabocards_blood NA blood +HMDB01547 Corticosterone C21H30O4 346.21442 http://www.hmdb.ca/metabolites/HMDB01547 PFEM_hmdb_metabocards_blood NA blood +HMDB04030 21-Deoxycortisol C21H30O4 346.21442 http://www.hmdb.ca/metabolites/HMDB04030 PFEM_hmdb_metabocards_blood NA blood +HMDB00015 Cortexolone C21H30O4 346.21442 HMDB00015 PFEM_hmdb_metabocards_official NA NA +HMDB01547 Corticosterone C21H30O4 346.21442 HMDB01547 PFEM_hmdb_metabocards_official NA NA +HMDB04030 21-Deoxycortisol C21H30O4 346.21442 HMDB04030 PFEM_hmdb_metabocards_official NA NA +HMDB06756 21-Hydroxy-5beta-pregnane-3,11,20-trione C21H30O4 346.21442 HMDB06756 PFEM_hmdb_metabocards_official NA NA +C09133 (-)-Chimonanthine C22H26N4 346.2157 NA KEGG NA NA +C10573 Calycanthine C22H26N4 346.2157 NA KEGG NA NA +MJ041421 Bhesine; 1',2'-Dihydro, stereoisomer C22H26N4 346.215746 NA MeJP NA NA +MJ041422 Calycanthine C22H26N4 346.215746 NA MeJP NA NA +MJ041423 Chimonanthine C22H26N4 346.215746 NA MeJP NA NA +PJ000432 SLK C15H30N4O5 346.2216 NA PeJP NA NA +MJ041424 Fortimicin B; 4',5'-Didehydro C15H30N4O5 346.22162 NA MeJP NA NA +MJ041425 Fortimicin KG C15H30N4O5 346.22162 NA MeJP NA NA +C04170 13-(2-Methylcrotonoyl)oxylupanine C20H30N2O3 346.2256 NA KEGG NA NA +MJ041426 13-Hydroxylupanine; O-Angeloyl C20H30N2O3 346.225642 NA MeJP NA NA +MJ041427 13-Hydroxylupanine; O-Tigloyl C20H30N2O3 346.225642 NA MeJP NA NA +MJ041428 4-Hydroxylupanine, O-Angeloyl C20H30N2O3 346.225642 NA MeJP NA NA +MJ041429 Morpheridine C20H30N2O3 346.225642 NA MeJP NA NA +MJ041430 Peripentadenine; N-Dehexanoyl, N-butanoyl C20H30N2O3 346.225642 NA MeJP NA NA +MetaCyc03077 13-(2-methylcrotonoyl)oxylupinine [13-(2-Methylcrotonoyl)oxylupanine;] C20H30N2O3 346.225643 NA metacyc NA NA +MJ041431 12,13-Epoxy-9,10,18-trihydroxyoctadecanoic acid C18H34O6 346.235538 NA MeJP NA NA +MJ041432 9,10-Dihydroxyoctadecanedioic acid C18H34O6 346.235538 NA MeJP NA NA +MJ041433 1(15),8-Dolastadiene-7,14-diol, 7-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041434 1,3,7,11-Cembratetraen-13-ol, 7R,8R-Epoxide, Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041435 1,3,7,11-Cembratetraen-14-ol, 11?,12?-Epoxide, Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041436 1,3,7,11-Cembratetraen-14-ol, 7?,8?-Epoxide, Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041437 1,3,7,11-Cembratetraen-16-ol, (11R*,12R*)-Epoxide, Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041438 1,3,7,11-Cembratetraene-13,14-diol, 14-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041439 1,3-Dolastadiene-9,13-diol; 13-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041440 1,4-Epoxy-7,11,13-cembratrien-20-ol, Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041441 1-(2,6-Dihydroxyphenyl)-4-hexadecen-1-one C22H34O3 346.250794 NA MeJP NA NA +MJ041442 10-Hydroxy-7,11,13,16,19-docosapentaenoic acid C22H34O3 346.250794 NA MeJP NA NA +MJ041443 11-Hydroxy-15-kauranone, Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041444 12,13-Epoxy-2-cyathen-8-ol, Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041445 12-Isocopalene-15,16-dial, 15-Alcohol, 15-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041446 13(15),17-Spatadiene-2,10-diol, 2-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041447 13(15),17-Spatadiene-5,10-diol, 10-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041448 13-Hydroxy-5,8,11,14,17-eicosapentaenoic acid, Et ester C22H34O3 346.250794 NA MeJP NA NA +MJ041449 13-Villanovene-17,18-diol; ent-form, 17-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041450 14,15-Epoxy-1(10),3-pachydictyadien-6-ol, Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041451 14,17-Epoxy-8,10,13(15)-lobatrien-18-ol; Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041452 14-Hydroxy-4,7,10,12,16-docosapentaenoic acid C22H34O3 346.250794 NA MeJP NA NA +MJ041453 15-Beyeren-19-ol; ent-form, 15?,16?-Epoxide, Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041454 15-Beyerene-14,18-diol, 14-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041455 15-Kaurene-3,17-diol, 3-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041456 15-Kaurene-7,18-diol, 18-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041457 15-Kaurene-7,18-diol, 7-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041458 16-Hydroperoxy-13(17)-mansumbinen-3-ol, 3-Ketone C22H34O3 346.250794 NA MeJP NA NA +MJ041459 16-Hydroxypregnane-3,20-dione, Me ether C22H34O3 346.250794 NA MeJP NA NA +MJ041460 16-Kauren-19-ol; ent-form, 16?,17-Epoxide, 19-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041461 16-Kauren-19-ol; ent-form, 19-Carboxylic acid, (2-hydroxyethyl) ester C22H34O3 346.250794 NA MeJP NA NA +MJ041462 16-Kauren-19-ol; ent-form, O-(Formyloxymethyl) C22H34O3 346.250794 NA MeJP NA NA +MJ041463 16-Kauren-3-ol, 16?,17-Epoxide, 3-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041464 16-Kaurene-11,15-diol, 15-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041465 16-Kaurene-3,11-diol, 11-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041466 16-Kaurene-3,15-diol, 3-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041467 16-Kaurene-3,19-diol, 19-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041468 16-Kaurene-3,19-diol, 3-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041469 16-Kaurene-7,18-diol, 18-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041470 16-Kaurene-7,18-diol, 7-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041471 17,18-Epoxy-8,10,13(15)-lobatrien-14-ol; Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041472 17,19-Kauranediol, 19-Aldehyde, 17-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041473 17-Hydroxyandrostan-3-one, 17-Propanoyl C22H34O3 346.250794 NA MeJP NA NA +MJ041474 18-Hydroxy-1(9),6,13-xenicatrien-19-al; Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041475 2,12-Cyathadien-1-ol, 12?,13?-Epoxide 1-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041476 2-Hydroxy-10(14)-valparolen-3-one, Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041477 2-Hydroxy-15-valparolen-3-one, Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041478 2-Hydroxy-6-(8,11-pentadecadienyl)benzoic acid, 11',12'-Dihydro C22H34O3 346.250794 NA MeJP NA NA +MJ041479 2-Hydroxy-6-(8,11-pentadecadienyl)benzoic acid, 8',9'-Dihydro, ?10'-isomer C22H34O3 346.250794 NA MeJP NA NA +MJ041480 2-Hydroxy-6-pentadecyl-1,4-benzoquinone; 10',11'-Didehydro, Me ether C22H34O3 346.250794 NA MeJP NA NA +MJ041481 3,4-Dihydro-4-hydroxy-5-methyl-3-(11-phenylundecyl)-2(5H)-furanone C22H34O3 346.250794 NA MeJP NA NA +MJ041482 3,4-Dihydro-8-hydroxy-3-tridecyl-1H-2-benzopyran-1-one C22H34O3 346.250794 NA MeJP NA NA +MJ041483 3-Hydroxy-2-(1-oxo-12,14-hexadienyl)-2-cyclohexen-1-one C22H34O3 346.250794 NA MeJP NA NA +MJ041484 4,15-Valparadiene-2,3-diol, 2-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041485 4,8,18-Dolabellatriene-3,16-diol, 16-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041486 4,8,18-Dolabellatriene-3,16-diol, 3-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041487 5,15-Rosadiene-3,19-diol; 3?-form, 19-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041488 5,15-Rosadiene-3,19-diol; 3?-form, 3-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041489 6,13-Epoxy-4(18),8-eunicelladien-12-ol, ?3-Isomer, Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041490 6,13-Epoxy-4(18),8-eunicelladien-12-ol, Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041491 7,12,14-Labdatriene-6,17-diol, 6-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041492 7,13-Labdadiene-15,17-diol, 17-Aldehyde, 15-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041493 7,18-Trachylobanediol, 7-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041494 7-[3-(3-Hydroxy-1-octenyl)bicyclo[2.2.1]hept-5-en-2-yl]-5-heptenoic acid C22H34O3 346.250794 NA MeJP NA NA +MJ041495 8(14),15-Isopimaradiene-1,2-diol, 2-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041496 8(14),15-Isopimaradiene-1,7-diol, 1-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041497 8(14),15-Isopimaradiene-1,7-diol, 7-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041498 8(17),12,14-Labdatriene-2,3-diol, 2-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041499 8(17),12,14-Labdatriene-2,3-diol, 3-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041500 8(17),12,14-Labdatriene-3,19-diol, 19-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041501 8(17),12,14-Labdatriene-3,19-diol, 3-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041502 8(17),12,14-Labdatriene-3,19-diol, 19-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041503 8,11,13-Abietatriene-3,12,14-triol, 12,14-Di-Me ether C22H34O3 346.250794 NA MeJP NA NA +MJ041504 8,11,13-Abietatriene-7,11,12-triol, 7,12-Di-Me ether C22H34O3 346.250794 NA MeJP NA NA +MJ041505 8,13-Labdadiene-7,15-diol, 7-Ketone, 15-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041506 8-Hydroxy-5,9,11,14,17-eicosapentaenoic acid, Et ester C22H34O3 346.250794 NA MeJP NA NA +MJ041507 9,10-Seco-1(10),8,13-labdatrien-15,16-diol, 16-Aldehyde, 15-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041508 9,13-Epoxy-7,14-labdadien-6-ol, Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041509 Antibiotic A 88696F; 4-Deoxy C22H34O3 346.250794 NA MeJP NA NA +MJ041510 Dictyol B; 9-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041511 Dictyol D; 2-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041512 Dictyol G; 13-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041513 Dictyol I; 18-Ac C22H34O3 346.250794 NA MeJP NA NA +MJ041514 Dictyosphaerin C22H34O3 346.250794 NA MeJP NA NA +MJ041515 Penostatin D C22H34O3 346.250794 NA MeJP NA NA +MJ041516 Rhusone C22H34O3 346.250794 NA MeJP NA NA +MJ041517 Volemolide C22H34O3 346.250794 NA MeJP NA NA +MetaCyc03078 10-β-hydroxytaxa-4(20),11-dien-5-α-yl acetate [] C22H34O3 346.250795 NA metacyc NA NA +C10794 Ginkgoic acid C22H34O3 346.2508 NA KEGG NA NA +C11898 Taxa-4(20),11(12)-dien-5alpha-acetoxy-10beta-ol C22H34O3 346.2508 NA KEGG NA NA +C14976 3alpha,21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one C22H34O3 346.2508 NA KEGG NA NA +C17994 Istamycin C0 C16H34N4O4 346.258 NA KEGG NA NA +MJ041518 Istamycin C; N-De(aminoacetyl) C16H34N4O4 346.258005 NA MeJP NA NA +MJ041519 3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxy-10-methylundecanoyl) C21H34N2O2 346.262028 NA MeJP NA NA +MJ041520 3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxydodecanoyl) C21H34N2O2 346.262028 NA MeJP NA NA +MJ041521 Sollasin C C21H34N2O2 346.262028 NA MeJP NA NA +MJ041522 1-Hydroxy-2,5,14-tricosatrien-4-one, Aldehyde C23H38O2 346.28718 NA MeJP NA NA +MJ041523 1-Hydroxy-2,5,16-tricosatrien-4-one, Aldehyde C23H38O2 346.28718 NA MeJP NA NA +MJ041524 1-Hydroxy-2,5,18-tricosatrien-4-one, Aldehyde C23H38O2 346.28718 NA MeJP NA NA +MJ041525 1-Phenyl-1,3-heptadecanedione; 3-Alcohol C23H38O2 346.28718 NA MeJP NA NA +MJ041526 16-Tricosene-2,4-diyne-1,6-diol C23H38O2 346.28718 NA MeJP NA NA +MJ041527 2-(10-Heptadecenyl)-1,4-benzenediol C23H38O2 346.28718 NA MeJP NA NA +MJ041528 2-(8-Heptadecenyl)-1,4-benzenediol C23H38O2 346.28718 NA MeJP NA NA +MJ041529 3-(10-Heptadecenyl)-1,2-benzenediol C23H38O2 346.28718 NA MeJP NA NA +MJ041530 3-(8-Heptadecenyl)-1,2-benzenediol C23H38O2 346.28718 NA MeJP NA NA +MJ041531 3-Heptadecyl-1,2-benzenediol; Didehydro C23H38O2 346.28718 NA MeJP NA NA +MJ041532 4-(8,11-Heptadecadienyl)-1,2-benzenediol, 11,12-Dihydro C23H38O2 346.28718 NA MeJP NA NA +MJ041533 5-Heptadecyl-1,3-benzenediol; 10',11'-Didehydro(Z-) C23H38O2 346.28718 NA MeJP NA NA +MJ041534 5-Heptadecyl-1,3-benzenediol; 12',13'-Didehydro(Z-) C23H38O2 346.28718 NA MeJP NA NA +MJ041535 5-Heptadecyl-1,3-benzenediol; 2',3'-Didehydro(Z-) C23H38O2 346.28718 NA MeJP NA NA +MJ041536 5-Heptadecyl-1,3-benzenediol; 8',9'-Didehydro(Z-) C23H38O2 346.28718 NA MeJP NA NA +MJ041537 7-Isopimarene-15,16-diol, 15,16-O-Isopropylidene C23H38O2 346.28718 NA MeJP NA NA +MJ041538 Rosterolone C23H38O2 346.28718 NA MeJP NA NA +C10802 5-(Heptadec-12-enyl)resorcinol C23H38O2 346.2872 NA KEGG NA NA +MJ041539 3,20-Diaminopregn-5-en-18-ol, N20-Me C22H38N2O 346.298413 NA MeJP NA NA +MJ041540 3,20-Diaminopregn-5-en-18-ol, N3-Me C22H38N2O 346.298413 NA MeJP NA NA +MJ041541 Funtessine C22H38N2O 346.298413 NA MeJP NA NA +MJ041542 1,2,3,4-Eicosanetetrol C20H42O4 346.308309 NA MeJP NA NA +MJ041543 3-[(2-Methoxyhexadecyl)oxy]-1,2-propanediol C20H42O4 346.308309 NA MeJP NA NA +MJ041544 Chonemorphine C23H42N2 346.334799 NA MeJP NA NA +MJ041545 Pregnane-3,20-diamine, N3,N20-Di-Me C23H42N2 346.334799 NA MeJP NA NA +MJ041546 Pregnane-3,20-diamine, N3,N3-Di-Me C23H42N2 346.334799 NA MeJP NA NA +MJ041547 1,7,13-Pentacosatriene C25H46 346.359951 NA MeJP NA NA +MJ041548 2,6,10,14-Tetramethyl-7-(3-methyl-4-pentenyl)-5,9-pentadecadiene C25H46 346.359951 NA MeJP NA NA +MJ041549 2,6,14-Trimethyl-10-methylene-9-(3-methyl-4-pentenyl)-6-pentadecene C25H46 346.359951 NA MeJP NA NA +3081 hemorphin-5 YPWTQ 346.6495 MH2+ Inhouse_peptide NA peptide +7627 ACE inhibitor from k-CN (fr, 13-17) KDERF 346.66595 MH2+ Inhouse_peptide NA peptide +3095 splenin fragment:32-36 RKEVY 346.684 MH2+ Inhouse_peptide NA peptide +MJ041550 4-Hydroxy-3,5-diiodopyridine C5H3I2NO 346.8304 NA MeJP NA NA +MJ041551 Arsthinol C11H14AsNO3S2 346.963106 NA MeJP NA NA +MJ041552 Ethyl glucosinolate C9H17NO9S2 347.034472 NA MeJP NA NA +C08413 Glucolepidiin C9H17NO9S2 347.0345 NA KEGG NA NA +EUR274 Adenosine monophosphate F1 NA 347.062575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR274 Adenosine monophosphate F1 NA 347.062575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR274 Adenosine monophosphate F1 NA 347.062575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR274 Adenosine monophosphate F1 NA 347.062575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR274 Adenosine monophosphate F1 NA 347.062575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR274 Adenosine monophosphate F1 NA 347.062575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR274 Adenosine monophosphate F1 NA 347.062575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR274 Adenosine monophosphate F1 NA 347.062575 standards wishlist analysés sur QTOF HMDB NA NA +EUR274 Adenosine monophosphate F1 NA 347.062575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR274 Adenosine monophosphate F1 NA 347.062575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR274 Adenosine monophosphate F1 NA 347.062575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR274 Adenosine monophosphate F1 NA 347.062575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB00045 Adenosine monophosphate C10H14N5O7P 347.06308 http://www.hmdb.ca/metabolites/HMDB00045 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00045 Adenosine monophosphate C10H14N5O7P 347.06308 http://www.hmdb.ca/metabolites/HMDB00045 HMDB NA NA +HMDB01044 2'-Deoxyguanosine 5'-monophosphate C10H14N5O7P 347.06308 http://www.hmdb.ca/metabolites/HMDB01044 HMDB NA NA +HMDB03540 3'-AMP C10H14N5O7P 347.06308 http://www.hmdb.ca/metabolites/HMDB03540 HMDB NA NA +HMDB00045 Adenosine monophosphate C10H14N5O7P 347.06308 http://www.hmdb.ca/metabolites/HMDB00045 PFEM_hmdb_metabocards_blood NA blood +HMDB00045 Adenosine monophosphate C10H14N5O7P 347.06308 HMDB00045 PFEM_hmdb_metabocards_official NA NA +HMDB01044 2'-Deoxyguanosine 5'-monophosphate C10H14N5O7P 347.06308 HMDB01044 PFEM_hmdb_metabocards_official NA NA +HMDB03540 3'-AMP C10H14N5O7P 347.06308 HMDB03540 PFEM_hmdb_metabocards_official NA NA +HMDB00045 Adenosine monophosphate C10H14N5O7P 347.06308 NA HMDB2010 NA NA +HMDB01044 2'-Deoxyguanosine 5'-monophosphate C10H14N5O7P 347.06308 NA HMDB2010 NA NA +HMDB03540 3'-AMP C10H14N5O7P 347.06308 NA HMDB2010 NA NA +HMDB11617 Adenosine 2'-phosphate C10H14N5O7P 347.06308 NA HMDB2010 NA NA +MJ041553 3'-AMP C10H14N5O7P 347.063084 NA MeJP NA NA +MJ041554 AMP C10H14N5O7P 347.063084 NA MeJP NA NA +MJ041555 dGMP C10H14N5O7P 347.063084 NA MeJP NA NA +MJ041556 2'-Adenylic acid C10H14N5O7P 347.063084 NA MeJP NA NA +MJ041557 Adenylic acid C10H14N5O7P 347.063084 NA MeJP NA NA +MetaCyc03079 AMP group [] C10H14N5O7P1 347.063084 NA metacyc NA NA +MetaCyc03080 AMP [adenosine-5'-phosphate;adenosine-phosphate;5'-AMP;adenosine-monophosphate;adenylic acid;AMP;adenosine 5'-monophosphate;adenylate;5'-adenylic acid;5'-adenosine monophosphate;adenosine 5'-phosphate;] C10H14N5O7P1 347.063084 61-19-8 metacyc NA NA +MetaCyc03081 dGMP [G;2'-dG-5'-MP;2'-deoxyguanosine 5'-monophosphate;guanine riboside;vernine;2'-deoxyguanosine-5'-phosphate;deoxyguanosine-phosphate;] C10H14N5O7P1 347.063084 902-04-5 metacyc NA NA +MetaCyc03082 3'-adenosine monophosphate [3'-adenylic acid;3'-AMP;adenosine 3'-phosphate;adenosine-3'-monophosphoric acid;] C10H14N5O7P1 347.063084 84-21-9 metacyc NA NA +MetaCyc03083 adenosine 2'-monophosphate [2'-adenylic acid;adenosine-2'-monophosphate;AMP 2'-phosphate;] C10H14N5O7P1 347.063084 NA metacyc NA NA +EUR060 Adenosine monophosphate C10H14N5O7P 347.0631 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR060 Adenosine monophosphate C10H14N5O7P 347.0631 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR060 Adenosine monophosphate C10H14N5O7P 347.0631 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR060 Adenosine monophosphate C10H14N5O7P 347.0631 Wishlist Inhousejuil11 NA NA +C00020 AMP C10H14N5O7P 347.0631 NA KEGG NA NA +C00362 dGMP C10H14N5O7P 347.0631 NA KEGG NA NA +C00946 Adenosine 2'-phosphate C10H14N5O7P 347.0631 NA KEGG NA NA +C00948 Collagen type IX C10H14N5O7P 347.0631 NA KEGG NA NA +C00949 Cytochrome c-552 C10H14N5O7P 347.0631 NA KEGG NA NA +C01367 3'-AMP C10H14N5O7P 347.0631 NA KEGG NA NA +C04378 7-alpha-D-Ribosyladenine 5'-phosphate C10H14N5O7P 347.0631 NA KEGG NA NA +EUR264 Nicotinamide adenine di nucleotide F4 F4 347.063375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR264 Nicotinamide adenine di nucleotide F4 NA 347.063375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR264 Nicotinamide adenine di nucleotide F4 F4 347.063375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR264 Nicotinamide adenine di nucleotide F4 NA 347.063375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR264 Nicotinamide adenine di nucleotide F4 F4 347.063375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR264 Nicotinamide adenine di nucleotide F4 NA 347.063375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR264 Nicotinamide adenine di nucleotide F4 F4 347.063375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR264 Nicotinamide adénine di nucléotide F4 F4 347.063375 standards wishlist analysés sur QTOF HMDB NA NA +EUR264 Nicotinamide adenine di nucleotide F4 F4 347.063375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR264 Nicotinamide adenine di nucleotide F4 NA 347.063375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR264 Nicotinamide adenine di nucleotide F4 F4 347.063375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR264 Nicotinamide adenine di nucleotide F4 F4 347.063375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR355 Flavine adenine dinucleotide F5 F5 347.063875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR355 Flavine adenine dinucleotide F5 NA 347.063875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR355 Flavine adenine dinucleotide F5 F5 347.063875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR355 Flavine adenine dinucleotide F5 NA 347.063875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR355 Flavine adenine dinucleotide F5 F5 347.063875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR355 Flavine adenine dinucleotide F5 NA 347.063875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR355 Flavine adenine dinucleotide F5 F5 347.063875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR355 Flavine adénine dinucléotide F5 F5 347.063875 standards wishlist analysés sur QTOF HMDB NA NA +EUR355 Flavine adenine dinucleotide F5 F5 347.063875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR355 Flavine adenine dinucleotide F5 NA 347.063875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR355 Flavine adenine dinucleotide F5 F5 347.063875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR355 Flavine adenine dinucleotide F5 F5 347.063875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ041558 3,5-Dihydroxy-2-[[1-oxo-3-(3,4,5-trihydroxyphenyl)-2-propenyl]amino]benzoic acid C16H13NO8 347.064116 NA MeJP NA NA +MJ041559 Nifuralide C14H13N5O4S 347.068824 NA MeJP NA NA +C10993 Flumipropyn C18H15ClFNO3 347.0724 NA KEGG NA NA +MJ041560 5-(Carboxymethylaminomethyl)uridine; 2-Thio analogue C12H17N3O7S 347.07872 NA MeJP NA NA +MJ041561 Oxysanguinarine C20H13NO5 347.079372 NA MeJP NA NA +MJ041562 Pancorine C20H13NO5 347.079372 NA MeJP NA NA +MJ041563 Sanguinarine; 12-Hydroxy C20H14NO5(+) 347.079372 NA MeJP NA NA +C12222 Hydroxysanguinarine C20H13NO5 347.0794 NA KEGG NA NA +MJ041564 Embramine C18H22BrNO 347.088476 NA MeJP NA NA +MJ041565 Clanobutin C18H18ClNO4 347.092435 NA MeJP NA NA +MJ041566 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(4-Chloro-3-methyl-2?-butenoyl), 4,8-di-Me ether C18H18ClNO4 347.092435 NA MeJP NA NA +MJ041567 Cefalexin C16H17N3O4S 347.093976 NA MeJP NA NA +C06895 Cephalexin C16H17N3O4S 347.094 NA KEGG NA NA +MJ041568 Woodinine C17H22BrN3 347.09971 NA MeJP NA NA +CJneg0546 Dimethylguanosine [(M+Cl)]- C12H17ClN5O5 347.100225 C18rt(min)=4.71 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0546 Dimethylguanosine [(M+Cl)]- C12H17ClN5O5 347.100225 C18rt(min)=4.71 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ041569 Penicillanic acid; S,S-Dioxide, (2,2-dimethyl-1-oxopropoxy)methyl C14H21NO7S 347.103872 NA MeJP NA NA +MJ041570 Lorapride C14H22ClN3O3S 347.107039 NA MeJP NA NA +PJ000433 PCE C13H21N3O6S 347.1151 NA PeJP NA NA +MJ041571 8-Methylnorchelerythrine C21H17NO4 347.115758 NA MeJP NA NA +MJ041572 Chelerythrine C21H18NO4(+) 347.115758 NA MeJP NA NA +MJ041573 Lahoramine C21H18NO4(+) 347.115758 NA MeJP NA NA +MJ041574 Nitidine C21H18NO4(+) 347.115758 NA MeJP NA NA +3066 thymosin-like peptide EAE 347.121 celiac toxic Inhouse_peptide NA peptide +MJ041575 Simmondsin; Di-O-de-Me C14H21NO9 347.121631 NA MeJP NA NA +MJ041576 Euxylophoricine A C20H17N3O3 347.126991 NA MeJP NA NA +MJ041577 Evodiamine, 7?-Carboxy C20H17N3O3 347.126991 NA MeJP NA NA +PJ000434 AEE C13H21N3O8 347.1329 NA PeJP NA NA +MJ041578 Ambelline; 1?,2?-Epoxide C18H21NO6 347.136887 NA MeJP NA NA +MJ041579 Crinafoline C18H21NO6 347.136887 NA MeJP NA NA +MJ041580 Crinamidine, 6?-Hydroxy, O3-Me C18H21NO6 347.136887 NA MeJP NA NA +MJ041581 Furo[2,3-b]quinoline-4,6,7-triol; OH-form, 6-O-(2?,3-Dihydroxy-3-methylbutyl), 4,7-di-Me ether C18H21NO6 347.136887 NA MeJP NA NA +MJ041582 Furo[2,3-b]quinoline-4,6,7-triol; OH-form, 7-O-(2?,3-Dihydroxy-3-methylbutyl), 4,6-di-Me ether C18H21NO6 347.136887 NA MeJP NA NA +MJ041583 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4-O-(2?,3-Dihydroxy-3-methylbutyl), 7,8-di-Me ether C18H21NO6 347.136887 NA MeJP NA NA +MJ041584 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(2,3-Dihydroxy-3-methylbutyl), 4,8-di-Me ether C18H21NO6 347.136887 NA MeJP NA NA +MJ041585 Galwesine; O9-De-Me C18H21NO6 347.136887 NA MeJP NA NA +MJ041586 Iprocrolol C18H21NO6 347.136887 NA MeJP NA NA +MJ041587 Krigeine C18H21NO6 347.136887 NA MeJP NA NA +MJ041588 Lunidonine; 6-Methoxy C18H21NO6 347.136887 NA MeJP NA NA +MJ041589 Macranthine; O-Ac C18H21NO6 347.136887 NA MeJP NA NA +MJ041590 Ptelecortine; ?3',4'-Isomer, 2'?-hydroxy C18H21NO6 347.136887 NA MeJP NA NA +MJ041591 Pteleoline C18H21NO6 347.136887 NA MeJP NA NA +C08524 Cavinine C18H21NO6 347.1369 NA KEGG NA NA +C10670 Evoxine C18H21NO6 347.1369 NA KEGG NA NA +C12178 3-Epimacronine C18H21NO6 347.1369 NA KEGG NA NA +MJ041592 Nafamostat C19H17N5O2 347.138224 NA MeJP NA NA +MJ041593 Carcainium(1+); Chloride C18H22ClN3O2 347.140054 NA MeJP NA NA +PJ000435 SNQ C12H21N5O7 347.1441 NA PeJP NA NA +MJ041594 Eliprodil C20H23ClFNO 347.14522 NA MeJP NA NA +MJ041595 Tiomergine C21H21N3S 347.145618 NA MeJP NA NA +PJ000436 PTM C14H25N3O5S 347.1515 NA PeJP NA NA +C13759 FPL64176 C22H21NO3 347.1521 NA KEGG NA NA +MJ041596 2,5-Dimethyl-4-[2-(phenylmethyl)benzoyl]-1H-pyrrole-3-carboxylic acid; Me ester C22H21NO3 347.152143 NA MeJP NA NA +MJ041597 Ancistrocongine C22H21NO3 347.152143 NA MeJP NA NA +MJ041598 2-Ethyl-1,2,3,4-tetrahydro-2-methylisoquinolinium(1+); 4-Methylbenzenesulfonate C19H25NO3S 347.155514 NA MeJP NA NA +MJ041599 5-Amino-1-[5-deoxy-5-[(phenylmethyl)amino]ribofuranosyl]-1H-imidazole-4-carboxamide C16H21N5O4 347.159354 NA MeJP NA NA +MJ041600 10,20-Dehydro[[12,13-dehydroprolyl-2-(1,1-dimethylallyl)tryptophyl]diketopiperazine] C21H21N3O2 347.163376 NA MeJP NA NA +MJ041601 Darenzepine C21H21N3O2 347.163376 NA MeJP NA NA +MJ041602 Isomalindine-16-carboxylate C21H21N3O2 347.163376 NA MeJP NA NA +MJ041603 Naufoline; 16-Methoxycarbonyl, 18,19-dihydro C21H21N3O2 347.163376 NA MeJP NA NA +MJ041604 Phenylalanyltryptophan anhydride, N1-Me C21H21N3O2 347.163376 NA MeJP NA NA +MJ041605 Phenylalanyltryptophan anhydride, N4-Me C21H21N3O2 347.163376 NA MeJP NA NA +MJ041606 Antibiotic TA 243 C14H25N3O7 347.16925 NA MeJP NA NA +MJ041607 ?-Aminoadipylserylvaline; L-L-D-form C14H25N3O7 347.16925 NA MeJP NA NA +PJ000437 SLE C14H25N3O7 347.1693 NA PeJP NA NA +MJ041608 17-(Cyclopropylmethyl)-4,5-epoxy-6,6-difluoromorphinan-3-ol C20H23F2NO2 347.169685 NA MeJP NA NA +MJ041609 Acanthamolide C19H25NO5 347.173272 NA MeJP NA NA +MJ041610 Acanthisonitrile 3 C19H25NO5 347.173272 NA MeJP NA NA +MJ041611 Delagoenine C19H25NO5 347.173272 NA MeJP NA NA +MJ041612 Erythratidine; 11-Hydroxy C19H25NO5 347.173272 NA MeJP NA NA +MJ041613 Excentricine; N-Me C19H25NO5 347.173272 NA MeJP NA NA +MJ041614 Foliosidine; 2',3'-Isopropylidene C19H25NO5 347.173272 NA MeJP NA NA +MJ041615 Lycorenine; Me ether, N-oxide (?-) C19H25NO5 347.173272 NA MeJP NA NA +MJ041616 Nerinine C19H25NO5 347.173272 NA MeJP NA NA +MJ041617 Ptelefoline; Me ether C19H25NO5 347.173272 NA MeJP NA NA +MJ041618 Sinococuline; N-Me C19H25NO5 347.173272 NA MeJP NA NA +MJ041619 Tazettine, 1,2-Dihydro, Me ether C19H25NO5 347.173272 NA MeJP NA NA +C12262 4,4-Disubstituted cyclohexenone C19H25NO5 347.1733 NA KEGG NA NA +PJ000438 SNK C13H25N5O6 347.1805 NA PeJP NA NA +MJ041620 Molracetam C18H25N3O4 347.184506 NA MeJP NA NA +MJ041621 Fluotracen C21H24F3N 347.186084 NA MeJP NA NA +PJ000439 VVM C15H29N3O4S 347.1879 NA PeJP NA NA +MJ041622 Currayangine, 2'-Hydroxy C23H25NO2 347.188529 NA MeJP NA NA +MJ041623 Currayangine, 7-Hydroxy C23H25NO2 347.188529 NA MeJP NA NA +MJ041624 Currayanine; 11-Hydroxy C23H25NO2 347.188529 NA MeJP NA NA +MJ041625 Mahanimbicine, 7-Hydroxy C23H25NO2 347.188529 NA MeJP NA NA +MJ041626 Mahanimbine, ?4'-Isomer, 3'-hydroxy C23H25NO2 347.188529 NA MeJP NA NA +MJ041627 Mahanine C23H25NO2 347.188529 NA MeJP NA NA +MJ041628 Mukoenine B C23H25NO2 347.188529 NA MeJP NA NA +MJ041629 Phenylalaninylarginal; N2-Ac C17H25N5O3 347.195739 NA MeJP NA NA +MJ041630 Thiolstatin; Thiolstatin B C17H25N5O3 347.195739 NA MeJP NA NA +MJ041631 Benzpiperylone C22H25N3O 347.199762 NA MeJP NA NA +MJ041632 Indoramin C22H25N3O 347.199762 NA MeJP NA NA +MJ041633 Consiculine; 2'-Deoxy C20H29NO4 347.209658 NA MeJP NA NA +MJ041634 Fedrilate C20H29NO4 347.209658 NA MeJP NA NA +MJ041635 Liconosine A C20H29NO4 347.209658 NA MeJP NA NA +MJ041636 Lycofoline; Di-Ac C20H29NO4 347.209658 NA MeJP NA NA +MJ041637 Lycopodium Base VII C20H29NO4 347.209658 NA MeJP NA NA +MJ041638 Saussureamine A C20H29NO4 347.209658 NA MeJP NA NA +MJ041639 Dexclamol C24H29NO 347.224914 NA MeJP NA NA +MJ041640 Phenomorphan C24H29NO 347.224914 NA MeJP NA NA +MJ041641 Manzamine C C23H29N3 347.236147 NA MeJP NA NA +MJ041642 4-Amino-3-hydroxybenzoic acid; 7-Z-Tetradecenyl ester C21H33NO3 347.246043 NA MeJP NA NA +MJ041643 Cardiopetaline C21H33NO3 347.246043 NA MeJP NA NA +MJ041644 Dictysine C21H33NO3 347.246043 NA MeJP NA NA +MJ041645 Samandarine; O-Ac C21H33NO3 347.246043 NA MeJP NA NA +MJ041646 Broussonetinine A; 4-Epimer, 10'S-alcohol C18H37NO5 347.267173 NA MeJP NA NA +C11695 Anandamide C22H37NO2 347.2824 NA KEGG NA NA +MJ041647 5,8,11,14-Eicosatetraenoic acid, (2-Hydroxyethyl)amide C22H37NO2 347.282429 NA MeJP NA NA +MJ041648 Antibiotic JM 971C; N,N-Di-Me C22H37NO2 347.282429 NA MeJP NA NA +MJ041649 Clavepictine B; O-Ac C22H37NO2 347.282429 NA MeJP NA NA +MetaCyc03084 anandamide [arachidonylethanolamide;AnNH;arachidonoyl-EA;N-arachidonoyl ethanolamine;] C22H37N1O2 347.282429 94421-68-8 metacyc NA NA +HMDB04080 Anandamide C22H37NO2 347.28244 http://www.hmdb.ca/metabolites/HMDB04080 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04080 Anandamide C22H37NO2 347.28244 http://www.hmdb.ca/metabolites/HMDB04080 HMDB NA NA +HMDB04080 Anandamide C22H37NO2 347.28244 http://www.hmdb.ca/metabolites/HMDB04080 PFEM_hmdb_metabocards_blood NA blood +HMDB04080 Anandamide C22H37NO2 347.28244 HMDB04080 PFEM_hmdb_metabocards_official NA NA +HMDB04080 Anandamide C22H37NO2 347.28244 NA HMDB2010 NA NA +MJ041650 (2-Hydroxyethyl)tetradecylammonium(1+); Lactate C19H41NO4 347.303558 NA MeJP NA NA +MJ041651 20-Aminopregnan-3-ol, N-Di-Me C23H41NO 347.318814 NA MeJP NA NA +MJ041652 5-Alkyl-1H-pyrrole-2-carboxaldehydes; 5-Octadecyl-1H-pyrrole-2-carboxaldehyde C23H41NO 347.318814 NA MeJP NA NA +MJ041653 Brachystine C23H41NO 347.318814 NA MeJP NA NA +3509 ACE inhibitor (b-Lg 15-20) VAGTWY 347.6575 MH2+ Inhouse_peptide NA peptide +4014 f(15-20) of bovine b-lactoglobulin VAGTWY 347.6575 MH2+ Inhouse_peptide NA peptide +MJ041654 Diiodomethanesulfonic acid CH2I2O3S 347.781401 NA MeJP NA NA +MJ041655 1,1,3-Tribromo-2-heptanone C7H11Br3O 347.836002 NA MeJP NA NA +MJ041656 1,3,3-Tribromo-2-heptanone C7H11Br3O 347.836002 NA MeJP NA NA +MJ041657 2-Bromo-3-(1,1-dibromopentyl)oxirane C7H11Br3O 347.836002 NA MeJP NA NA +C06644 1,1-Dichloro-2-(dihydroxy-4'-chlorophenyl)-2-(4'- C14H8Cl4O2 347.9278 NA KEGG NA NA +MJ041658 1,1-Dichloro-2-(dihydroxy-4'-chorophenyl)-2-(4'-chlorophenyl)ethylene C14H8Cl4O2 347.92784 NA MeJP NA NA +MJ041659 Phenazapam C15H10BrClN2O 347.966503 NA MeJP NA NA +MJ041660 2-Chloro-6-(2,6-dichloro-4-hydroxyphenoxy)-1,4-benzenediol; 1,4'-Di-Me ether C14H11Cl3O4 347.972291 NA MeJP NA NA +MJ041661 2-Chloro-6-(2,6-dichloro-4-hydroxyphenoxy)-1,4-benzenediol; 1,4-Di-Me ether C14H11Cl3O4 347.972291 NA MeJP NA NA +MJ041662 2-Chloro-6-(2,6-dichloro-4-hydroxyphenoxy)-1,4-benzenediol; 4,4'-Di-Me ether C14H11Cl3O4 347.972291 NA MeJP NA NA +MJ041663 Azumolene C13H9BrN4O3 347.985802 NA MeJP NA NA +MJ041664 6-(Chloromethyl)-2-oxo-2H-1-benzopyran-3-carboxylic acid; 3-Chlorophenyl ester C17H10Cl2O4 347.995614 NA MeJP NA NA +MJ041665 Sorivudine C11H13BrN2O6 347.995698 NA MeJP NA NA +CJneg0547 Phenylsulfate/Phenolsulfonic acid [(2M-H)]- C12H11O8S2 347.997925 C18rt(min)=5.33 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0547 Phenylsulfate/Phenolsulfonic acid [(2M-H)]- C12H11O8S2 347.997925 C18rt(min)=5.33 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ041666 Cloflucarban C14H9Cl2F3N2O 348.004402 NA MeJP NA NA +MJ041667 2,2':5',2''-Terthiophene-5-methanol; 2-Methylpropanoyl C17H16O2S3 348.031241 NA MeJP NA NA +MJ041668 9-Chloro-1-hydroxy-8,10-dimethoxy-3-methyldibenz[b,e]oxepin-6,11-dione C17H13ClO6 348.040065 NA MeJP NA NA +MJ041669 Pannarin; O-De-Me C17H13ClO6 348.040065 NA MeJP NA NA +MJ041670 Cloxazolam C17H14Cl2N2O2 348.043233 NA MeJP NA NA +MetaCyc03085 2-(α-D-mannosyl)-3-phosphoglycerate [] C9H17O12P1 348.045763 NA metacyc NA NA +HMDB12152 2-O-(6-Phospho-alpha-mannosyl)-D-glycerate C9H17O12P 348.045776 NA HMDB2010 NA NA +C11516 2-(alpha-D-Mannosyl)-3-phosphoglycerate C9H17O12P 348.0458 NA KEGG NA NA +C16699 2-O-(6-Phospho-alpha-mannosyl)-D-glycerate C9H17O12P 348.0458 NA KEGG NA NA +HMDB00175 Inosinic acid C10H13N4O8P 348.047089 NA HMDB2010 NA NA +HMDB11681 Inosine 2'-phosphate C10H13N4O8P 348.047089 NA HMDB2010 NA NA +HMDB00175 Inosinic acid C10H13N4O8P 348.04709 http://www.hmdb.ca/metabolites/HMDB00175 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00175 Inosinic acid C10H13N4O8P 348.04709 http://www.hmdb.ca/metabolites/HMDB00175 HMDB NA NA +HMDB00175 Inosinic acid C10H13N4O8P 348.04709 http://www.hmdb.ca/metabolites/HMDB00175 PFEM_hmdb_metabocards_blood NA blood +HMDB00175 Inosinic acid C10H13N4O8P 348.04709 HMDB00175 PFEM_hmdb_metabocards_official NA NA +MJ041671 IMP C10H13N4O8P 348.047099 NA MeJP NA NA +MJ041672 Inosinic acid C10H13N4O8P 348.047099 NA MeJP NA NA +C00130 IMP C10H13N4O8P 348.0471 NA KEGG NA NA +MetaCyc03086 inosine-5'-phosphate [5'-IMP;ribosylhypoxanthine monophosphate;IMP;inosinate;inosine monophosphate;inosine 5'-monophosphate;inosine 5'-phosphate;5'-inosinate;5'-inosinic acid;5'-inosine monophosphate;] C10H13N4O8P1 348.0471 131-99-7 metacyc NA NA +MJ041673 4-[5'-(Hydroxymethyl)[2,2'-bithiophen-5-yl]]-3-butyn-1-ol; Di-Ac C17H16O4S2 348.049 NA MeJP NA NA +MJ041674 4-[5'-Methyl-[2,2'-bithiophen]-5-yl]-3-butyne-1,2-diol; Di-Ac C17H16O4S2 348.049 NA MeJP NA NA +MJ041675 12(11?10)-Abeo-4-bromo-3-chloro-7,8-epoxy-11(13)-chamigren-1-ol C15H22BrClO2 348.04917 NA MeJP NA NA +MJ041676 Caespitenone C15H22BrClO2 348.04917 NA MeJP NA NA +MJ041677 Pinnatazane C15H22BrClO2 348.04917 NA MeJP NA NA +MJ041678 Pinnatifenol C15H22BrClO2 348.04917 NA MeJP NA NA +MJ041679 Pinnatifidone C15H22BrClO2 348.04917 NA MeJP NA NA +MJ041680 3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4':4,5-Bis(methylene) ether C20H12O6 348.063388 NA MeJP NA NA +MJ041681 3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4':4,5-Bis(methylene) ether C20H12O6 348.063388 NA MeJP NA NA +MJ041682 3,3',4,4'-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; Bis(methylene) ether C20H12O6 348.063388 NA MeJP NA NA +MJ041683 Altertoxin III C20H12O6 348.063388 NA MeJP NA NA +MJ041684 Hortein C20H12O6 348.063388 NA MeJP NA NA +MJ041685 Jusneesiinol; Deoxy, 7,7'-didehydro C20H12O6 348.063388 NA MeJP NA NA +MJ041686 Palmarumycin CP1; 8-Hydroxy, 2?,3?-epoxide C20H12O6 348.063388 NA MeJP NA NA +MJ041687 Stemphyltoxin I; 2-Deoxy, 1,2-didehydro C20H12O6 348.063388 NA MeJP NA NA +MJ041688 Doxefazepam C17H14ClFN2O3 348.067698 NA MeJP NA NA +MJ041689 18-Bromo-17-octadecene-5,7,15-triynoic acid C18H21BrO2 348.072492 NA MeJP NA NA +MJ041690 18-Bromo-7,13,17-octadecatriene-5,15-diynoic acid C18H21BrO2 348.072492 NA MeJP NA NA +MJ041691 Succisulfone C16H16N2O5S 348.077992 NA MeJP NA NA +MJ041692 5(4H)-Isoxazolone; 2H-Oxo-form, N-[6-O-(3-Nitropropanoyl)-?-D-glucopyranosyl] C12H16N2O10 348.080494 NA MeJP NA NA +MJ041693 Flustrabromine C17H21BrN2O 348.083725 NA MeJP NA NA +FL4DAGNM0002 3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone C17H16O8 348.08451 101467-71-4 knapsack NA NA +FL4DAINS0001 Dihydrosyringetin C17H16O8 348.08451 38690-67-4 knapsack NA NA +FL4DFCNS0001 Dihydrogossypetin 7,8-dimethyl ether C17H16O8 348.08451 151193-57-6 knapsack NA NA +FL4DFCNS0002 3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone C17H16O8 348.08451 111514-43-3 knapsack NA NA +FL63ACNM0001 Dryopteric acid C17H16O8 348.08451 126655-10-5 knapsack NA NA +MJ041694 1,2,3,4,5,7-Hexahydroxyxanthone; 2,3,4,5-Tetra-Me ether C17H16O8 348.084517 NA MeJP NA NA +MJ041695 1,2,3,4,5,7-Hexahydroxyxanthone; 2,4,5,7-Tetra-Me ether C17H16O8 348.084517 NA MeJP NA NA +MJ041696 1,2,3,4,6,8-Hexahydroxyxanthone; 1,2,4,6-Tetra-Me ether C17H16O8 348.084517 NA MeJP NA NA +MJ041697 1,2,3,4,6,8-Hexahydroxyxanthone; 2,3,4,6-Tetra-Me ether C17H16O8 348.084517 NA MeJP NA NA +MJ041698 3,3',4',5,5',7-Hexahydroxy-6,8-dimethylflavanone C17H16O8 348.084517 NA MeJP NA NA +MJ041699 3,3',4',5,5',7-Hexahydroxyflavanone, 3',5'-Di-Me ether C17H16O8 348.084517 NA MeJP NA NA +MJ041700 3,3',4',5,7,8-Hexahydroxyflavanone, 4',8-Di-Me ether C17H16O8 348.084517 NA MeJP NA NA +MJ041701 3,3',4',5,7,8-Hexahydroxyflavanone, 7,8-Di-Me ether C17H16O8 348.084517 NA MeJP NA NA +MJ041702 3,3',4',5,7-Pentahydroxyflavan-4-acetic acid C17H16O8 348.084517 NA MeJP NA NA +MJ041703 Erythrostominone C17H16O8 348.084517 NA MeJP NA NA +MJ041704 Gunacin C17H16O8 348.084517 NA MeJP NA NA +MJ041705 Osoic acid; 3-Me ether, 1-Me ester C17H16O8 348.084517 NA MeJP NA NA +MJ041706 Osoic acid; 5-Me ether, 1-Me ester C17H16O8 348.084517 NA MeJP NA NA +MJ041707 4-[5'-Methyl-[2,2'-bithiophen]-5-yl]-3-butyne-1,2-diol; 1-O-(3-Methylbutanoyl) C18H20O3S2 348.085385 NA MeJP NA NA +MJ041708 Anguibactin C15H16N4O4S 348.089225 NA MeJP NA NA +MJ041709 L-Aspartyl-L-N2-hydroxyaspartyl-D-cycloserine C11H16N4O9 348.091728 NA MeJP NA NA +MJ041710 Quinotolast C17H12N6O3 348.097088 NA MeJP NA NA +FL3F1CNP0001 6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone C21H16O5 348.09977 64316-98-9 knapsack NA NA +FLIA1CNP0001 Calopogoniumisoflavone B;6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]isoflavone C21H16O5 348.09977 62502-14-1 knapsack NA NA +FLIE1ANP0005 Tuberostan C21H16O5 348.09977 97165-25-8 knapsack NA NA +MJ041711 1,10,11-Trihydroxy-8-methyl-5,12-naphthacenedione; 1,10-Di-Me ether C21H16O5 348.099773 NA MeJP NA NA +MJ041712 1,6,10-Trihydroxy-3,9-dimethyl-5,12-naphthacenedione; 10-Me ether C21H16O5 348.099773 NA MeJP NA NA +MJ041713 2-(1,3-Benzodioxol-5-yl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C21H16O5 348.099773 NA MeJP NA NA +MJ041714 7-(2,4-Dihydroxy-6-methylbenzoyl)-8-hydroxy-2-methylnaphtho[1,8-bc]pyran C21H16O5 348.099773 NA MeJP NA NA +MJ041715 8-Ethyl-1,11-dihydroxy-5,12-naphthacenedione; 1'-Hydroxy, 1-Me ether C21H16O5 348.099773 NA MeJP NA NA +MJ041716 Calopogoniumisoflavone B C21H16O5 348.099773 NA MeJP NA NA +MJ041717 Furanoracemosone C21H16O5 348.099773 NA MeJP NA NA +MJ041718 Gilvocarcin V; Aglycone C21H16O5 348.099773 NA MeJP NA NA +MJ041719 Palmarumycin C5 C21H16O5 348.099773 NA MeJP NA NA +MJ041720 Tuberostan C21H16O5 348.099773 NA MeJP NA NA +MJ041721 Xestoquinone; 14-Methoxy C21H16O5 348.099773 NA MeJP NA NA +MJ041722 Xestoquinone; 15-Methoxy C21H16O5 348.099773 NA MeJP NA NA +MJ041723 Stilbericoside C14H20O10 348.105646 NA MeJP NA NA +HMDB01557 Riboflavin reduced C15H16N4O6 348.10699 http://www.hmdb.ca/metabolites/HMDB01557 HMDB NA NA +HMDB01557 Riboflavin reduced C15H16N4O6 348.10699 HMDB01557 PFEM_hmdb_metabocards_official NA NA +HMDB01557 Riboflavin reduced C15H16N4O6 348.106995 NA HMDB2010 NA NA +C08562 Musca-aurin VII C15H16N4O6 348.107 NA KEGG NA NA +MJ041724 Flumizole C18H15F3N2O2 348.108562 NA MeJP NA NA +C01897 Camptothecin C20H16N2O4 348.111 NA KEGG NA NA +C01898 Cellodextrin C20H16N2O4 348.111 NA KEGG NA NA +C01901 Cucurbitacin C31H43O8R 348.111 NA KEGG NA NA +MJ041725 Camptothecin C20H16N2O4 348.111007 NA MeJP NA NA +MJ041726 Oliverine C20H16N2O4 348.111007 NA MeJP NA NA +MJ041727 Securidaca longipedunculata Alkaloid A C20H16N2O4 348.111007 NA MeJP NA NA +MJ041728 Antibiotic 593A C14H22Cl2N4O2 348.111981 NA MeJP NA NA +FLIC4LNS0001 Machaerol C;6,8,2'-Trihydroxy-7,3',4'-trimethoxyisoflavan C18H20O7 348.1209 51798-41-5 knapsack NA NA +MJ041729 2',3',4',6,7,8-Hexahydroxyisoflavan; 3',4',7-Tri-Me ether C18H20O7 348.120902 NA MeJP NA NA +MJ041730 2-(1,4-Dihydroxy-4-methylpentyl)-5,8-dihydroxy-1,4-naphthoquinone, 1'-Ac C18H20O7 348.120902 NA MeJP NA NA +MJ041731 4-[2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methylbenzaldehyde C18H20O7 348.120902 NA MeJP NA NA +MJ041732 5,6,7,8-Tetrahydro-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)chromone, 4'-Methoxy C18H20O7 348.120902 NA MeJP NA NA +MJ041733 Antibiotic UCF 13 C18H20O7 348.120902 NA MeJP NA NA +MJ041734 Byakangelicin, 3'-Me ether C18H20O7 348.120902 NA MeJP NA NA +MJ041735 Elemiferone; 5,8-Dimethoxy C18H20O7 348.120902 NA MeJP NA NA +MJ041736 Glauconic acid C18H20O7 348.120902 NA MeJP NA NA +MJ041737 Nagilactone D; 15?-Hydroxy C18H20O7 348.120902 NA MeJP NA NA +MJ041738 Syringopicrogenin A; 3''-Hydroxy C18H20O7 348.120902 NA MeJP NA NA +C09595 Nitidine C21H18NO4 348.1236 NA KEGG NA NA +C12227 Chelerythrine C21H18NO4 348.1236 NA KEGG NA NA +MJ041739 5-[5-[2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl]-3-methylisoxazole C18H21ClN2O3 348.12407 NA MeJP NA NA +C06489 Compound VII C18H21ClN2O3 348.1241 NA KEGG NA NA +MJ041740 Torasemide C16H20N4O3S 348.125611 NA MeJP NA NA +PJ000440 SNE C12H20N4O8 348.1281 NA PeJP NA NA +MJ041741 Arginine, N2-[3-Carboxy-2-(carboxymethyl)-2-hydroxypropanoyl] C12H20N4O8 348.128113 NA MeJP NA NA +MJ041742 Neosidomycin C17H20N2O6 348.132136 NA MeJP NA NA +MJ041743 Tryptophan, Na-(4-Carboxy-3-hydroxy-3-methylbutanoyl) C17H20N2O6 348.132136 NA MeJP NA NA +FL3FA9NI0004 trans-Anhydrotephrostachin C22H20O4 348.13615 80377-44-2 knapsack NA NA +FLID1ANF0004 Erybraedin E C22H20O4 348.13615 119269-73-7 knapsack NA NA +MJ041744 1-(4-Hydroxybenzyl)-2,4,7-phenanthrenetriol; 9,10-Dihydro, 2-Me ether C22H20O4 348.136159 NA MeJP NA NA +MJ041745 1-(4-Hydroxybenzyl)-2,4,7-phenanthrenetriol; 9,10-Dihydro, 4-Me ether C22H20O4 348.136159 NA MeJP NA NA +MJ041746 3-(4-Hydroxybenzyl)-9,10-dihydro-2,4,7-phenanthrenetriol; 4-Me ether C22H20O4 348.136159 NA MeJP NA NA +MJ041747 Caleprunifolin C22H20O4 348.136159 NA MeJP NA NA +MJ041748 Erybraedin E C22H20O4 348.136159 NA MeJP NA NA +MJ041749 Microphyllone; ?7',8'-Isomer, 9',10'-didehydro C22H20O4 348.136159 NA MeJP NA NA +MJ041750 Tephrostachin, 3''-Deoxy, 3'',4''-didehydro C22H20O4 348.136159 NA MeJP NA NA +C17011 Leonuridine C15H24O9 348.142 NA KEGG NA NA +MJ041751 4,5-Dihydroxy-4-(2-hydroxyethyl)-2-cyclohexen-1-one, 5-Me ether, 2'-O-?-D-glucopyranoside C15H24O9 348.142032 NA MeJP NA NA +MJ041752 Ajugol C15H24O9 348.142032 NA MeJP NA NA +MJ041753 Alboside B C15H24O9 348.142032 NA MeJP NA NA +MJ041754 Antirride; 6?-Hydroxy, 8?,10-dihydro C15H24O9 348.142032 NA MeJP NA NA +MJ041755 Deutziol C15H24O9 348.142032 NA MeJP NA NA +MJ041756 Physoside; 6-Deoxy C15H24O9 348.142032 NA MeJP NA NA +MJ041757 Thunaloside C15H24O9 348.142032 NA MeJP NA NA +MJ041758 Porfiromycin C16H20N4O5 348.143369 NA MeJP NA NA +PJ000441 GSW C16H20N4O5 348.1434 NA PeJP NA NA +PJ000442 AQM C13H24N4O5S 348.1468 NA PeJP NA NA +MJ041759 3-p-Anisylidene-6-benzylidene-2,5-piperazinedione, N1,N4-Di-Me C21H20N2O3 348.147392 NA MeJP NA NA +MJ041760 Alstonine C21H20N2O3 348.147392 NA MeJP NA NA +MJ041761 Serpentine C21H20N2O3 348.147392 NA MeJP NA NA +MJ041762 Xanthocillin X; 1'',2''-Dihydro, 3'-methoxy, di-Me ether C21H20N2O3 348.147392 NA MeJP NA NA +C09028 Alstonine C21H20N2O3 348.1474 NA KEGG NA NA +C09241 Serpentine C21H20N2O3 348.1474 NA KEGG NA NA +MJ041763 Amadinone C20H25ClO3 348.149222 NA MeJP NA NA +MJ041764 Verecynarmin B; 11?-Hydroxy, 13-chloro C20H25ClO3 348.149222 NA MeJP NA NA +MJ041765 Azetirelin C15H20N6O4 348.154603 NA MeJP NA NA +MJ041766 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041767 1,10-Epoxy-4,6-dihydroxyfuranoeremophilan-9-one, 6-(2-Methylpropanoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041768 1,10-Epoxy-6,8-dihydroxy-7(11)-eremophilen-12,8-olide, 6-(2-Methylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041769 1,2-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, Di-Ac C19H24O6 348.157288 NA MeJP NA NA +MJ041770 1,3,8-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Ketone, 8-(2-methylpropanoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041771 1,3-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, Di-Ac C19H24O6 348.157288 NA MeJP NA NA +MJ041772 1,4,8-Trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Methylpropanoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041773 1,6,8-Trihydroxy-7(11),9-eremophiladien-12,8-olide, 6-(2-Methylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041774 1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide, 1-Hydroperoxide, 6-(2-methylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041775 1,6-Dihydroxy-4,11(13)-eudesmadien-12,8-olide, Di-Ac C19H24O6 348.157288 NA MeJP NA NA +MJ041776 1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(2-Hydroxymethyl-2-propenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041777 1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 1-(2-Hydroxymethylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041778 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Di-Ac C19H24O6 348.157288 NA MeJP NA NA +MJ041779 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(2,3-Epoxy-2-methylpropanoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041780 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(2-Hydroxymethyl-2-propenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041781 15,16-Epoxy-2,6,18-trihydroxy-19-nor-4,13(16),14-clerodatrien-20,12-olide C19H24O6 348.157288 NA MeJP NA NA +MJ041782 2,3,8-Trihydroxy-4(15),10(14),11(13)guaiatrien-12,6-olide, 2-(2-Methylpropanoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041783 2,3-Epoxy-14,15-dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(Methylpropanoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041784 2,3-Epoxy-14,15-dihydroxy-1,3,11(13)-elematrien-12,8-olide, 15-(Methylpropanoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041785 2,3-Epoxy-2,15-dihydroxy-2,3-seco-3,10(14)-aromadendradien-13-al; 2?-form, Di-Ac C19H24O6 348.157288 NA MeJP NA NA +MJ041786 2,6-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, Di-Ac C19H24O6 348.157288 NA MeJP NA NA +MJ041787 2,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041788 2-Ethoxy-2a,3,4,5,5a,6,10b,10c-octahydro-5-hydroxy-8-methoxy-5a-methyl-2H-anthra[9,1-bc]furan-7,10-dione C19H24O6 348.157288 NA MeJP NA NA +MJ041789 3,10-Epoxy-3,8-dihydroxy-1,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041790 3,13-Dihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, Di-Ac C19H24O6 348.157288 NA MeJP NA NA +MJ041791 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 7-Deoxy, 3-Me ether C19H24O6 348.157288 NA MeJP NA NA +MJ041792 3,4,8-Scirpenetriol, 8-Ketone, 4-O-(2Z-butenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041793 3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 10?,14-Epoxide, 3-(2-methylpropanoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041794 3,8,10-Trihydroxy-1,4,11(13)-germacratrien-12,6-olide, 3-Ketone, 8-(2-methylpropanoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041795 3,8-Dihydroxy-10(14)-guaien-12,6-olide, 11,13-Didehydro, 8-O-(2-hydroxymethylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041796 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(3-Hydroxy-2-methylpropanoyl)(S-) C19H24O6 348.157288 NA MeJP NA NA +MJ041797 3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 8-(3-Hydroxymethyl-2-propenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041798 3,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Di-Ac C19H24O6 348.157288 NA MeJP NA NA +MJ041799 4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2-Methylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041800 4,8-Dihydroxy-1-oxo-2,9,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041801 5,8-Epoxy-18-nor-3,6-dioxo-11,15-cembradien-20,10-olide, 11?,12?-Epoxide C19H24O6 348.157288 NA MeJP NA NA +MJ041802 5,8-Epoxy-18-nor-3,6-dioxo-11,15-cembradien-20,10-olide, ?12,13-Isomer, 11?-hydroxy C19H24O6 348.157288 NA MeJP NA NA +MJ041803 5,8-Epoxy-18-nor-3,6-dioxo-11,15-cembradien-20,10-olide, ?12,13-Isomer, 11?-hydroxy C19H24O6 348.157288 NA MeJP NA NA +MJ041804 6,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14-(2-Hydroxymethylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041805 6,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, Di-Ac C19H24O6 348.157288 NA MeJP NA NA +MJ041806 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro, 6-(2-methylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041807 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro, 6-(2-methylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041808 6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, O-(2,3-Epoxy-2-methylpropanoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041809 6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, O-(2-Hydroxymethylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041810 7,8-Dihydroxy-1,3,11(13)-elematrien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041811 7-Hydroxy-8-(3-oxo-2-methylbutyl)-2H-1-benzopyran-2-one; O-(2,3-Dihydroxy-3-methylbutyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041812 8,10-Dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041813 8,10-Dihydroxy-3-oxo-4,11(13)-guaiadien-12,6-olide, 8-(2-Methylpropanoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041814 8,12-Dihydroxy-4-isocedren-15,14-olide; Di-Ac C19H24O6 348.157288 NA MeJP NA NA +MJ041815 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041816 8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Di-Ac C19H24O6 348.157288 NA MeJP NA NA +MJ041817 8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 4?,5?-Epoxide, 8-(2-methylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041818 8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Di-Ac C19H24O6 348.157288 NA MeJP NA NA +MJ041819 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041820 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041821 8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, 8-(2-hydroxymethyl-2-propenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041822 8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, di-Ac C19H24O6 348.157288 NA MeJP NA NA +MJ041823 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041824 8,15-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 11,13-Dihydro, 8-(methylpropenoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041825 8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041826 8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2-Methylpropanoyl) C19H24O6 348.157288 NA MeJP NA NA +MJ041827 9,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Di-Ac C19H24O6 348.157288 NA MeJP NA NA +MJ041828 Anisocoumarin D C19H24O6 348.157288 NA MeJP NA NA +MJ041829 Dissectolide A C19H24O6 348.157288 NA MeJP NA NA +MJ041830 Egelolide; 8-Angeloyl C19H24O6 348.157288 NA MeJP NA NA +MJ041831 Egelolide; 8-Tigloyl C19H24O6 348.157288 NA MeJP NA NA +MJ041832 Eremantholide A C19H24O6 348.157288 NA MeJP NA NA +MJ041833 Eremantholide C; 4?,5-Dihydro C19H24O6 348.157288 NA MeJP NA NA +MJ041834 Eurycomalactone C19H24O6 348.157288 NA MeJP NA NA +MJ041835 Gibberellin 1 C19H24O6 348.157288 NA MeJP NA NA +MJ041836 Gibberellin 29 C19H24O6 348.157288 NA MeJP NA NA +MJ041837 Gibberellin A1 C19H24O6 348.157288 NA MeJP NA NA +MJ041838 Gibberellin A20; 12?-Hydroxy C19H24O6 348.157288 NA MeJP NA NA +MJ041839 Gibberellin A20; 15?-Hydroxy C19H24O6 348.157288 NA MeJP NA NA +MJ041840 Gibberellin A20; 2?-Hydroxy C19H24O6 348.157288 NA MeJP NA NA +MJ041841 Gibberellin A20; 2?-Hydroxy C19H24O6 348.157288 NA MeJP NA NA +MJ041842 Gibberellin A4; 11?-Hydroxy C19H24O6 348.157288 NA MeJP NA NA +MJ041843 Gibberellin A4; 2?-Hydroxy C19H24O6 348.157288 NA MeJP NA NA +MJ041844 Gibberellin A4; 2?-Hydroxy C19H24O6 348.157288 NA MeJP NA NA +MJ041845 Gibberellin A61; 13-Hydroxy C19H24O6 348.157288 NA MeJP NA NA +MJ041846 Gibberellin A61; 2?-Hydroxy C19H24O6 348.157288 NA MeJP NA NA +MJ041847 Gibberellin A9; 3?,12?-Dihydroxy C19H24O6 348.157288 NA MeJP NA NA +MJ041848 Gibberellin A9; 3?,15?-Dihydroxy C19H24O6 348.157288 NA MeJP NA NA +MJ041849 Gibberellin A9; 3?,15?-Dihydroxy C19H24O6 348.157288 NA MeJP NA NA +MJ041850 Gibberellin C C19H24O6 348.157288 NA MeJP NA NA +MJ041851 Marmin, 2',3'-Dihydro, 5'-oxo C19H24O6 348.157288 NA MeJP NA NA +MJ041852 Mycophenolic acid; Et ester C19H24O6 348.157288 NA MeJP NA NA +MJ041853 Nagilactone A C19H24O6 348.157288 NA MeJP NA NA +MJ041854 Nagilactone F; 2?-Hydroxy, 7?,8?-epoxide C19H24O6 348.157288 NA MeJP NA NA +MJ041855 Nagilactone F; 3?-Hydroxy, 7?,8?-epoxide C19H24O6 348.157288 NA MeJP NA NA +MJ041856 Octandrenolone; 3,4-Dihydro, 3?,4?-dihydroxy, 5-Me ether C19H24O6 348.157288 NA MeJP NA NA +MJ041857 Octandrenolone; 9,10-Dihydro, 9?,10?-dihydroxy, 5-Me ether C19H24O6 348.157288 NA MeJP NA NA +MJ041858 Ovalifolienal C19H24O6 348.157288 NA MeJP NA NA +MJ041859 Podolide; 2,3-Dihydro, 2?-hydroxy C19H24O6 348.157288 NA MeJP NA NA +MJ041860 Praealtin D C19H24O6 348.157288 NA MeJP NA NA +MJ041861 Salignone H; 2,3-Dihydro C19H24O6 348.157288 NA MeJP NA NA +MJ041862 Secoisolariciresinol, O3-De-Me C19H24O6 348.157288 NA MeJP NA NA +MJ041863 Secomacrotolide; 6?-(2-Methylpropenoyloxy) C19H24O6 348.157288 NA MeJP NA NA +MJ041864 ?-Reolone C19H24O6 348.157288 NA MeJP NA NA +MetaCyc03087 3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1 (10),2-dien-4-oate [8-[(3a-methyl-3,6-dioxo-2,3a,4,5,7,7a-hexahydro-1H-inden-7-yl)]- 2-hydroxy-5-methyl-6-oxo-octa-2,4-dienoic acid;] C19H24O6 348.157289 NA metacyc NA NA +MetaCyc03088 1,2-bis(3,4-dimethoxyphenyl)propane-1,3-diol [] C19H24O6 348.157289 NA metacyc NA NA +MetaCyc03089 GA1 [gibberellin A1;gibberellin A1;GA1;] C19H24O6 348.157289 NA metacyc NA NA +MetaCyc03090 GA34 [gibberellin A34;gibberellin A34;GA34;] C19H24O6 348.157289 NA metacyc NA NA +MetaCyc03091 GA29 [gibberellin A29;gibberellin A29;GA29;] C19H24O6 348.157289 NA metacyc NA NA +C00859 Gibberellin A1 C19H24O6 348.1573 NA KEGG NA NA +C04597 1,2-Bis(3,4-dimethoxyphenyl)propane-1,3-diol C19H24O6 348.1573 NA KEGG NA NA +C04598 2-Acetyl-1-alkyl-sn-glycero-3-phosphocholine C10H22NO7PR 348.1573 NA KEGG NA NA +C04844 3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate C19H24O6 348.1573 NA KEGG NA NA +C04845 N-Acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D- C39H69N2O18R 348.1573 NA KEGG NA NA +C06096 Gibberellin A29 C19H24O6 348.1573 NA KEGG NA NA +C08759 Eurycomalactone C19H24O6 348.1573 NA KEGG NA NA +C09356 Chamissonin diacetate C19H24O6 348.1573 NA KEGG NA NA +C09407 Eremantholide A C19H24O6 348.1573 NA KEGG NA NA +C09520 Onopordopicrin C19H24O6 348.1573 NA KEGG NA NA +C09539 Radiatin C19H24O6 348.1573 NA KEGG NA NA +C09554 Tagitinin F C19H24O6 348.1573 NA KEGG NA NA +C11868 Gibberellin A34 C19H24O6 348.1573 NA KEGG NA NA +PJ000443 ACR C12H24N6O4S 348.158 NA PeJP NA NA +MJ041865 Zatosetron C19H25ClN2O2 348.160455 NA MeJP NA NA +MJ041866 Disulergine C17H24N4O2S 348.161996 NA MeJP NA NA +MJ041867 Sarizotan C22H21FN2O 348.163791 NA MeJP NA NA +PJ000444 SDK C13H24N4O7 348.1645 NA PeJP NA NA +C10145 Funebrine C18H24N2O5 348.1685 NA KEGG NA NA +C11720 Enalaprilate C18H24N2O5 348.1685 NA KEGG NA NA +MJ041868 Enalaprilat C18H24N2O5 348.168521 NA MeJP NA NA +MJ041869 Funebrine C18H24N2O5 348.168521 NA MeJP NA NA +MJ041870 Imidocarb C19H20N6O 348.169859 NA MeJP NA NA +C17005 Callytriol C C23H24O3 348.1725 NA KEGG NA NA +MJ041871 14,20-Tricosadiene-3,5,10,12,22-pentayne-1,2,16-triol C23H24O3 348.172544 NA MeJP NA NA +MJ041872 14,20-Tricosadiene-3,5,10,12,22-pentayne-1,2,19-triol C23H24O3 348.172544 NA MeJP NA NA +MJ041873 14,20-Tricosadiene-3,5,10,12,22-pentayne-1,2-diol, 9?-Hydroxy C23H24O3 348.172544 NA MeJP NA NA +PJ000445 SSR C12H24N6O6 348.1757 NA PeJP NA NA +MJ041874 3,6-Di-tert-butyl-1-naphthalenesulfonic acid; Et ester C20H28O3S 348.175915 NA MeJP NA NA +C17638 Schizonepetoside E C16H28O8 348.1784 NA KEGG NA NA +MJ041875 1,8-Epoxy-p-menthane-2,4-diol, 2-O-?-D-Glucopyranoside C16H28O8 348.178417 NA MeJP NA NA +MJ041876 1,8-Epoxy-p-menthane-2,4-diol, 4-O-?-D-Glucopyranoside C16H28O8 348.178417 NA MeJP NA NA +MJ041877 1,8-Epoxy-p-menthane-2,4-diol, 2-O-?-D-Glucopyranoside C16H28O8 348.178417 NA MeJP NA NA +MJ041878 1,8-Epoxy-p-menthane-2,5-diol, 2-O-?-D-Glucopyranoside C16H28O8 348.178417 NA MeJP NA NA +MJ041879 1,8-Epoxy-p-menthane-2,6-diol, 2-O-?-D-Glucopyranoside C16H28O8 348.178417 NA MeJP NA NA +MJ041880 1,8-Epoxy-p-menthane-2,6-diol, 6-O-?-D-Glucopyranoside C16H28O8 348.178417 NA MeJP NA NA +MJ041881 1,8-Epoxy-p-menthane-2,7-diol, 2-O-?-D-Glucopyranoside C16H28O8 348.178417 NA MeJP NA NA +MJ041882 10-Hydroxylinalyl oxide, 7-O-?-D-Glucopyranoside C16H28O8 348.178417 NA MeJP NA NA +MJ041883 2,4,5-Bornanetriol, 2-O-?-D-Glucopyranoside C16H28O8 348.178417 NA MeJP NA NA +MJ041884 2,4,7-Thujanetriol, 4-O-?-D-Glucopyranoside C16H28O8 348.178417 NA MeJP NA NA +MJ041885 2,5,7-Fenchanetriol, 2-O-?-D-Glucopyranoside C16H28O8 348.178417 NA MeJP NA NA +MJ041886 8,9-Dihydroxy-p-menthan-3-one; 9-O-?-D-Glucopyranoside C16H28O8 348.178417 NA MeJP NA NA +MJ041887 Lantanoside C16H28O8 348.178417 NA MeJP NA NA +MJ041888 Nepetariaside C16H28O8 348.178417 NA MeJP NA NA +PJ000446 AKM C14H28N4O4S 348.1831 NA PeJP NA NA +MJ041889 Acrivastine C22H24N2O2 348.183778 NA MeJP NA NA +MJ041890 N-[2-(2-Methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide C22H24N2O2 348.183778 NA MeJP NA NA +C14676 4-Chloroprogesterone C21H29ClO2 348.1856 NA KEGG NA NA +MJ041891 Gibberellin 53 C20H28O5 348.193674 NA MeJP NA NA +MJ041892 1,10-Dihydroxy-7(11)-eremophilen-12,8-olide, 1-Angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041893 1,10-Epoxyfuranoeremophilane-3,6-diol, 6-(2-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041894 1,10-Epoxyfuranoeremophilane-3,6-diol, 6-(3-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041895 1,10-Epoxyfuranoeremophilane-6,9-diol, 6-(2-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041896 1,10-Epoxyfuranoeremophilane-6,9-diol, 6-(3-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041897 1,11-Dihydroxy-3-eudesmen-12,6-olide, 11-Angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041898 1,11-Dihydroxy-4(15)-eudesmen-12,6-olide, 11-Angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041899 1,13-Dihydroxy-15-oxo-9(11),16-kauradien-19-oic acid, 16?,17-Dihydro C20H28O5 348.193674 NA MeJP NA NA +MJ041900 1,2-Dihydroxy-3,11(13)-eudesmadien-12,8-olide, 1-(2-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041901 1,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-(2-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041902 1,4-Dihydroxy-11(13)-eudesmen-12,6-olide, 1-Angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041903 1,6-Dihydroxyfuranoeremophilan-9-one, 6-(3-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041904 1,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 1-Angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041905 1,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 1-Tigloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041906 10,11-Dihydroxy-3-guaien-12,6-olide, 11-(3-Methyl-2-butenoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041907 10,11-Dihydroxy-3-guaien-12,6-olide, 11-Angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041908 11,12,16-Trihydroxy-8,11,13-abietatrien-20-oic acid C20H28O5 348.193674 NA MeJP NA NA +MJ041909 11-Hydroxy-15-nor-14-oxo-12-isocopalen-16-oic acid; 11?-form, 12?,13?-Epoxide, 11-ketone, Me ester C20H28O5 348.193674 NA MeJP NA NA +MJ041910 12,16,17-Trihydroxy-8,11,13-abietatrien-19-oic acid C20H28O5 348.193674 NA MeJP NA NA +MJ041911 12-Hydroxy-8,12-abietadiene-11,14-dione; 16,17-Dihydroxy C20H28O5 348.193674 NA MeJP NA NA +MJ041912 12-Isoprenyl-3-cedrene-14,19-dioic acid; 17,18R-Dihydro, 5-oxo C20H28O5 348.193674 NA MeJP NA NA +MJ041913 13(16),14-Spongiadiene-2,3,17,19-tetrol, 2-Ketone C20H28O5 348.193674 NA MeJP NA NA +MJ041914 14,15,16-Trihydroxy-1(19),6,10,12-xenicatetraen-18,17-olide C20H28O5 348.193674 NA MeJP NA NA +MJ041915 14,15-Epoxy-3-cleroden-16,15-olid-18-oic acid C20H28O5 348.193674 NA MeJP NA NA +MJ041916 15,16,17,19-Tetrahydroxy-3,13-clerodadien-18-oic acid, 17-Aldehyde, 18?19 Lactone C20H28O5 348.193674 NA MeJP NA NA +MJ041917 15,16-Epoxy-2,19-dihydroxy-3,13(16),14-clerodatrien-18-oic acid C20H28O5 348.193674 NA MeJP NA NA +MJ041918 15,16-Epoxy-3,4-dihydroxy-12-oxo-13(16),14-clerodadien-20-al C20H28O5 348.193674 NA MeJP NA NA +MJ041919 15,16-Epoxy-3,4-dihydroxy-13(16),14-clerodadien-18,6-olide C20H28O5 348.193674 NA MeJP NA NA +MJ041920 15,16-Epoxy-3,5-dihydroxy-13(16),14-halimadien-20,12-olide C20H28O5 348.193674 NA MeJP NA NA +MJ041921 15,16-Epoxy-6,8,9-trihydroxy-13(16),14-labdadien-19-oic acid, 19?6 Lactone C20H28O5 348.193674 NA MeJP NA NA +MJ041922 15-Hydroxy-3,13-clerodadien-16,15-olid-19-oic acid C20H28O5 348.193674 NA MeJP NA NA +MJ041923 16,18-Dihydroxy-3,13-clerodadien-15,16-olide, 18-Carboxylic acid C20H28O5 348.193674 NA MeJP NA NA +MJ041924 16-Hydroxy-15-oxo-13-spongien-19-oic acid; 16?-form, 16-Ketone (lactone), 15?-alcohol C20H28O5 348.193674 NA MeJP NA NA +MJ041925 16-Hydroxy-2,6,10,14-phytatetraene-1,19-dioic acid, 16-Aldehyde C20H28O5 348.193674 NA MeJP NA NA +MJ041926 16-Hydroxy-8(17),13-labdadien-15,16-olid-18-oic acid C20H28O5 348.193674 NA MeJP NA NA +MJ041927 16-Hydroxy-8(17),13-labdadien-15,16-olid-19-oic acid; 16?-form C20H28O5 348.193674 NA MeJP NA NA +MJ041928 17-Hydroxy-2,6,10,14-phytatetraen-1,20-olid-18-oic acid C20H28O5 348.193674 NA MeJP NA NA +MJ041929 17-Hydroxy-2,6,10,14-phytatetraen-20,1-olid-18-oic acid C20H28O5 348.193674 NA MeJP NA NA +MJ041930 18,19-Epoxy-19-hydroxy-3,13-clerodadien-15,16-olide, 3?,4?-Epoxide C20H28O5 348.193674 NA MeJP NA NA +MJ041931 18-Oxo-2,6,10,14-phytatetraene-1,16-dioic acid C20H28O5 348.193674 NA MeJP NA NA +MJ041932 2,11,12-Trihydroxy-6,7-seco-8,11,13-abietatriene-6,7-dial 11,6-hemiacetal; 2?-form C20H28O5 348.193674 NA MeJP NA NA +MJ041933 2,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 2-Tigloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041934 2,5-Dihydroxy-2,5,10-bisabolatriene-1,4-dione; 2-(3-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041935 2,5-Dihydroxy-2,5,10-babolatriene-1,4-dione; 5-(3-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041936 2,6,7,11-Tetrahydroxy-7,9(11),13-abietatrien-12-one C20H28O5 348.193674 NA MeJP NA NA +MJ041937 2,6-Dihydroxy-19-oxo-8,13-labdadien-15,16-olide C20H28O5 348.193674 NA MeJP NA NA +MJ041938 2-Hydroxy-3,13-clerodadiene-15,16:18,6-diolide, 13?,14-Dihydro C20H28O5 348.193674 NA MeJP NA NA +MJ041939 3,10-Dihydroxy-7(11)-eremophilen-12,8-olide, 3-Angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041940 3,13-Clerodadien-15,16-olid-19-oic acid, 15?-Alcohol, 16-oxo C20H28O5 348.193674 NA MeJP NA NA +MJ041941 3,13-Clerodadien-15,16-olid-19-oic acid, 16?-Hydroxy C20H28O5 348.193674 NA MeJP NA NA +MJ041942 3,13-Clerodadien-16,15-olid-17-oic acid; ent-form, 15?-Hydroxy C20H28O5 348.193674 NA MeJP NA NA +MJ041943 3,13-Clerodadien-16,15-olid-18-oic acid, 15-Oxo, 16?-alcohol(lactol) C20H28O5 348.193674 NA MeJP NA NA +MJ041944 3,13-Clerodadien-16,15-olid-18-oic acid, 15?-Hydroxy C20H28O5 348.193674 NA MeJP NA NA +MJ041945 3,13-Clerodadien-16,15-olid-18-oic acid; 5?-form, 17-Hydroxy C20H28O5 348.193674 NA MeJP NA NA +MJ041946 3,13-Clerodadiene-15,16,17-triol, 15,17-Dicarboxylic acid, 16-aldehyde C20H28O5 348.193674 NA MeJP NA NA +MJ041947 3,13-Clerodadiene-15,16,17-triol, 16,17-Dicarboxylic acid, 15-aldehyde C20H28O5 348.193674 NA MeJP NA NA +MJ041948 3,19-Dihydroxy-11-oxo-8(17),13-labdadien-15,16-olide C20H28O5 348.193674 NA MeJP NA NA +MJ041949 3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 10'-Oxo C20H28O5 348.193674 NA MeJP NA NA +MJ041950 3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 6'-Oxo C20H28O5 348.193674 NA MeJP NA NA +MJ041951 3,4-Dihydroxy-9-guaien-12,8-olide, 3-(2-Methyl-2-butenoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041952 3,4-Epoxy-1-hydroxy-7(14),10-bisaboladiene-2,8-dione; O-(3-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041953 3,4-Epoxy-13,18-dihydroxy-7,11,15(17)-cembratrien-16,14-olide C20H28O5 348.193674 NA MeJP NA NA +MJ041954 3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041955 3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Tigloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041956 3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041957 3,6-Dihydroxy-7-eremophilen-12,8-olide, 3-Angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041958 3,8-Dihydroxy-4-rotunden-13,6-olide, 8-(2-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041959 3,8-Dihydroxy-4-rotunden-13,6-olide, 8-(3-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041960 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 4'-O-(6-Hydroperoxy-3,7-dimethyl-2,7-octadienyl)(E-), 3'-Me ether C20H28O5 348.193674 NA MeJP NA NA +MJ041961 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 4'-O-(7-Hydroperoxy-3,7-dimethyl-2,5-octadienyl)(E,E-), 3'-Me ether C20H28O5 348.193674 NA MeJP NA NA +MJ041962 3-Hydroxy-8-oxo-6,9-eremophiladien-12-oic acid, 3-(2-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041963 4,12-Dihydroxy-9-oxo-5,7,10,14-prostatetraenoic acid C20H28O5 348.193674 NA MeJP NA NA +MJ041964 4,5-Epoxy-2-hydroxy-11(13)-guaien-12,8-olide, 11?,13-Dihydro, angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041965 4,5-Epoxy-2-hydroxy-11(13)-guaien-12,8-olide, 11?,13-Dihydro, angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041966 4,5-Epoxy-2-hydroxy-11(13)-guaien-12,8-olide, 11?,13-Dihydro, tigloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041967 4,5-Epoxy-3-hydroxy-1(10),11(13)-germacradien-12,6-olide, 3-(2-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041968 4,5-Epoxy-3-hydroxy-1(10),11(13)-germacradien-12,6-olide, 3-(3-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041969 4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, (2-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041970 4,6-Dihydroxyfuranoeremophilan-9-one, 6-(2-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041971 4,9,13,20-Tetrahydroxy-1,6-tigliadien-3-one C20H28O5 348.193674 NA MeJP NA NA +MJ041972 4,9,20-Trihydroxy-13,15-seco-1,6-tigliadiene-3,13-dione C20H28O5 348.193674 NA MeJP NA NA +MJ041973 4-Hydroxy-19-oxo-1(9),6,13-xenicatrien-18,17-olide, 6R,7R-Epoxide C20H28O5 348.193674 NA MeJP NA NA +MJ041974 5,11-Dihydroxy-1-silphinen-3-one; 5-Propanoyl, 11-Ac C20H28O5 348.193674 NA MeJP NA NA +MJ041975 6,11,12,16-Tetrahydroxy-8,11,13-abietatrien-7-one; 6?-form C20H28O5 348.193674 NA MeJP NA NA +MJ041976 6,7,12-Trihydroxy-8,12-abietadiene-11,14-dione C20H28O5 348.193674 NA MeJP NA NA +MJ041977 6,7,9-Trihydroxy-15-oxo-19-kauranoic acid, 19?6 Lactone C20H28O5 348.193674 NA MeJP NA NA +MJ041978 6,7,9-Trihydroxy-8(14),15-isopimaradien-20,6-olide C20H28O5 348.193674 NA MeJP NA NA +MJ041979 6,7-Dihydroxy-17-vouacapanoic acid C20H28O5 348.193674 NA MeJP NA NA +MJ041980 6,7-Epoxy-1(19),10,12-xenicatrien-18,17-olide, 14-Hydroperoxy C20H28O5 348.193674 NA MeJP NA NA +MJ041981 6,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041982 6,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 9-(2-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041983 6,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 9-(3-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ041984 6,9-Dihydroxyfuranoeremophilan-1-one, 6-Pentanoyl C20H28O5 348.193674 NA MeJP NA NA +MJ041985 6-Hydroxy-3,13-clerodadien-15,16-olid-18-oic acid C20H28O5 348.193674 NA MeJP NA NA +MJ041986 6-Hydroxy-3,13-clerodadien-15,16-olid-19-oic acid C20H28O5 348.193674 NA MeJP NA NA +MJ041987 6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, 2-Methylbutanoyl C20H28O5 348.193674 NA MeJP NA NA +MJ041988 6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, 3-Methylbutanoyl C20H28O5 348.193674 NA MeJP NA NA +MJ041989 7,11,14,20-Tetrahydroxy-16-kauren-15-one, 11-Ketone C20H28O5 348.193674 NA MeJP NA NA +MJ041990 7,11-Epoxy-3,4-dihydroxy-5-eudesmen-8-one, 3-Angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ041991 7,12,14-Trihydroxy-15-oxo-16-kauren-18-al C20H28O5 348.193674 NA MeJP NA NA +MJ041992 7,13-Labdadien-15,16-olid-18-oic acid; 16?-Hydroxy C20H28O5 348.193674 NA MeJP NA NA +MJ041993 7,13-Labdadien-16,15-olid-18-oic acid; 15?-Hydroxy C20H28O5 348.193674 NA MeJP NA NA +MJ041994 7,14,18-Trihydroxy-16-kaurene-11,15-dione C20H28O5 348.193674 NA MeJP NA NA +MJ041995 7,14,19-Trihydroxy-16-kaurene-11,15-dione C20H28O5 348.193674 NA MeJP NA NA +MJ041996 7,14,20-Trihydroxy-15-oxo-16-kauren-18-al C20H28O5 348.193674 NA MeJP NA NA +MJ041997 7,20-Epoxy-1,14,20-trihydroxy-16-kauren-15-one C20H28O5 348.193674 NA MeJP NA NA +MJ041998 7,20-Epoxy-1,7,11-trihydroxy-16-kauren-15-one C20H28O5 348.193674 NA MeJP NA NA +MJ041999 7,20-Epoxy-1,7,14-trihydroxy-16-kauren-15-one C20H28O5 348.193674 NA MeJP NA NA +MJ042000 7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 15-Ketone C20H28O5 348.193674 NA MeJP NA NA +MJ042001 7,20-Epoxy-16-kaurene-6,7,14,15-tetrol, 15-Ketone C20H28O5 348.193674 NA MeJP NA NA +MJ042002 7,20:11,12-Diepoxy-16-kaurene-6,7,15-triol C20H28O5 348.193674 NA MeJP NA NA +MJ042003 7-Hydroxy-3,13-clerodadiene-15,16;18,19-diolide, 13,14-Dihydro C20H28O5 348.193674 NA MeJP NA NA +MJ042004 7-Oxo-6,7-seco-16-kaurene-6,19-dioic acid; ent-form C20H28O5 348.193674 NA MeJP NA NA +MJ042005 8(17),13-Labdadien-16,15-olid-19-oic acid; 15?-Hydroxy C20H28O5 348.193674 NA MeJP NA NA +MJ042006 8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 8-(3-methyl-2-butenoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ042007 8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 8-angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ042008 8,12-Epoxy-6,16-dioxo-13-labden-15-oic acid C20H28O5 348.193674 NA MeJP NA NA +MJ042009 8,14,17-Trihydroxy-11,13(15)-abietadien-16,12-olide C20H28O5 348.193674 NA MeJP NA NA +MJ042010 8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ042011 8,14-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-Tigloyl C20H28O5 348.193674 NA MeJP NA NA +MJ042012 8,14-Dihydroxy-1(19),6,10,12-xenicatetraen-17,18-olide, 6?,7?,-Epoxide C20H28O5 348.193674 NA MeJP NA NA +MJ042013 8,14-Dihydroxy-1(19),6,10,12-xenicatetraen-18,17-olide; 8?-form, 6,7-Epoxide C20H28O5 348.193674 NA MeJP NA NA +MJ042014 8,14-Dihydroxy-4-isocedren-15,14-olide; 8-O-(3-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ042015 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ042016 8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, 8-(3-methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ042017 8,20-Dihydroxy-14-serrulaten-19-oic acid; 14,15-Dihydro, 14-oxo C20H28O5 348.193674 NA MeJP NA NA +MJ042018 8,9,10-Trihydroxy-3-longipinen-5-one, 10-Angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ042019 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ042020 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ042021 8,9-Dihydroxymontahibisciolide, 8-(2-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ042022 8-Hydroxy-14-oxo-1(10),4-germacradien-12,6-olide, 8-(2-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ042023 8-Hydroxy-4-daucene-3,9-dione, 8-(2,3-Epoxy-3-methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ042024 9,10-Epoxy-p-mentha-1,3,5-triene-3,8-diol; Bis(3-methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ042025 9,11-Dihydroxy-15-oxo-16-kauren-19-oic acid C20H28O5 348.193674 NA MeJP NA NA +MJ042026 9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one C20H28O5 348.193674 NA MeJP NA NA +MJ042027 9-Hydroxy-3-oxo-11(13)-germacren-12,6-olide, Angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ042028 Amomum peroxide C20H28O5 348.193674 NA MeJP NA NA +MJ042029 Angustanoic acid I C20H28O5 348.193674 NA MeJP NA NA +MJ042030 Cascarillin A C20H28O5 348.193674 NA MeJP NA NA +MJ042031 Cohumulone C20H28O5 348.193674 NA MeJP NA NA +MJ042032 Colletruncoic acid; Me ester C20H28O5 348.193674 NA MeJP NA NA +MJ042033 Cyclopampeanone; 7,10-Diepimer, O-(3-methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ042034 Cyclopampeanone; O-(3-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ042035 Elisapterosin A C20H28O5 348.193674 NA MeJP NA NA +MJ042036 Esquirolin D; 6-Epimer, O-de-Me C20H28O5 348.193674 NA MeJP NA NA +MJ042037 Fruticolide C20H28O5 348.193674 NA MeJP NA NA +MJ042038 Fukinolidiol; 1-Angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ042039 Fukinolidiol; 9-Angeloyl C20H28O5 348.193674 NA MeJP NA NA +MJ042040 Furanoeremophil-1(10)-ene-4,6-diol, 1,10-Epoxide, 6-(3-methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ042041 Furanoeudesmane-3,4-diol, 3-(2,3-Epoxy-2-methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ042042 Gibberellin A12; 12?-Hydroxy C20H28O5 348.193674 NA MeJP NA NA +MJ042043 Gibberellin A12; 12?-Hydroxy C20H28O5 348.193674 NA MeJP NA NA +MJ042044 Gibberellin A12; 2?-Hydroxy C20H28O5 348.193674 NA MeJP NA NA +MJ042045 Gibberellin A12; 3?-Hydroxy C20H28O5 348.193674 NA MeJP NA NA +MJ042046 Gibberellin A53 C20H28O5 348.193674 NA MeJP NA NA +MJ042047 Ingenol C20H28O5 348.193674 NA MeJP NA NA +MJ042048 Jaspiferal G C20H28O5 348.193674 NA MeJP NA NA +MJ042049 Lanugone F C20H28O5 348.193674 NA MeJP NA NA +MJ042050 Longirabdolide E C20H28O5 348.193674 NA MeJP NA NA +MJ042051 Macrocalyxoformin D C20H28O5 348.193674 NA MeJP NA NA +MJ042052 Nerifolinol C20H28O5 348.193674 NA MeJP NA NA +MJ042053 Pampeanone; O-(3-Methylbutanoyl) C20H28O5 348.193674 NA MeJP NA NA +MJ042054 Plecostonol C20H28O5 348.193674 NA MeJP NA NA +MJ042055 Premarrubiin, 14,15-Dihydro, 15-oxo C20H28O5 348.193674 NA MeJP NA NA +MJ042056 Rabdosichuanin A; 1-Deacetoxy, 11-epimer C20H28O5 348.193674 NA MeJP NA NA +MJ042057 Salvilimbinol C20H28O5 348.193674 NA MeJP NA NA +MJ042058 Senauricolide C20H28O5 348.193674 NA MeJP NA NA +MJ042059 Trichaurantin C20H28O5 348.193674 NA MeJP NA NA +MJ042060 Trichoaurantianolide C C20H28O5 348.193674 NA MeJP NA NA +MetaCyc03092 cohumulone [] C20H28O5 348.193674 NA metacyc NA NA +MetaCyc03093 GA15 [gibberellin A15;gibberellin A15;GA15 (open lactone form);gibberellin A15 (open lactone form);] C20H28O5 348.193674 NA metacyc NA NA +MetaCyc03094 GA53 [gibberellin A53;gibberellin A53;GA53;] C20H28O5 348.193674 NA metacyc NA NA +MetaCyc03095 GA14 [gibberellin A14;gibberellin A14;GA14;] C20H28O5 348.193674 NA metacyc NA NA +MetaCyc03096 GA110 [gibberellin A110;gibberellin A110;GA110;] C20H28O5 348.193674 NA metacyc NA NA +C06094 Gibberellin A53 C20H28O5 348.1937 NA KEGG NA NA +C09112 Ingenol C20H28O5 348.1937 NA KEGG NA NA +C11858 Gibberellin A14 C20H28O5 348.1937 NA KEGG NA NA +C11860 Gibberellin A15 open lactone C20H28O5 348.1937 NA KEGG NA NA +MJ042061 Intoplicine C21H24N4O 348.195011 NA MeJP NA NA +PJ000447 TTK C14H28N4O6 348.2009 NA PeJP NA NA +MJ042062 Carpindolol C19H28N2O4 348.204907 NA MeJP NA NA +MJ042063 Roxatidine; O-Ac C19H28N2O4 348.204907 NA MeJP NA NA +C15634 Arotinoid acid C24H28O2 348.2089 NA KEGG NA NA +MJ042064 2,4-Bis(3-methyl-2-butenyl)-5-(2-phenylethenyl)-1,3-benzenediol C24H28O2 348.20893 NA MeJP NA NA +MJ042065 2-Methyl-2-(4-methyl-3-pentenyl)-7-(2-phenylethyl)-2H-1-benzopyran-5-ol C24H28O2 348.20893 NA MeJP NA NA +MJ042066 4,6-Bis(3-methyl-2-butenyl)-5-(phenylethenyl)-1,3-benzenediol C24H28O2 348.20893 NA MeJP NA NA +MJ042067 7-Hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-5-(2-phenylethyl)-2H-1-benzopyran C24H28O2 348.20893 NA MeJP NA NA +MJ042068 Amorphastilbol C24H28O2 348.20893 NA MeJP NA NA +MJ042069 Bexarotene C24H28O2 348.20893 NA MeJP NA NA +MJ042070 Perrottetinen C24H28O2 348.20893 NA MeJP NA NA +C15091 9-Fluoro-17beta-hydroxy-6alpha,17-dimethylandrost-4-ene-3,11-dione C21H29FO3 348.2101 NA KEGG NA NA +C15098 21-Fluoro-11beta-hydroxypregn-4-ene-3,20-dione C21H29FO3 348.2101 NA KEGG NA NA +C15312 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione C21H29FO3 348.2101 NA KEGG NA NA +C15414 6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate C21H29FO3 348.2101 NA KEGG NA NA +MJ042071 Leiopyrrole C23H28N2O 348.220163 NA MeJP NA NA +MJ042072 Cylindricine F C20H32N2OS 348.223534 NA MeJP NA NA +MJ042073 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione C21H32O4 348.230059 NA MeJP NA NA +MJ042074 17alpha,21-Dihydroxypregnenolone C21H32O4 348.230059 NA MeJP NA NA +MJ042075 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione C21H32O4 348.230059 NA MeJP NA NA +MJ042076 1,3,5,10-Farnesatetraene-7,9-diol, 7-Me ether, 10,11-epoxide, 9-angeloyl C21H32O4 348.230059 NA MeJP NA NA +MJ042077 11-Eremophilene-3,8,9-triol, 8-Ketone, 3-(3-methyl-2-pentenoyl) C21H32O4 348.230059 NA MeJP NA NA +MJ042078 13,18-Dihydroxy-8(14)-abieten-7-one; 13?-form, 18-Carboxylic acid, 13-Me ether C21H32O4 348.230059 NA MeJP NA NA +MJ042079 15,16-Epoxy-15-hydroxy-3-cleroden-18,19-olide, Me ether C21H32O4 348.230059 NA MeJP NA NA +MJ042080 15,16-Epoxy-2-hydroxy-1-hydroxymethyl-14-colensen-3,1'-olide C21H32O4 348.230059 NA MeJP NA NA +MJ042081 15-Hydroxy-1(10),13-halimadien-18-oic acid, Formyl C21H32O4 348.230059 NA MeJP NA NA +MJ042082 15-Hydroxy-11-methyl-9-oxo-5,10,13-prostatrienoic acid C21H32O4 348.230059 NA MeJP NA NA +MJ042083 16-Hydroxy-6-oxo-7,13-labdadien-15-oic acid, 16-Me ether C21H32O4 348.230059 NA MeJP NA NA +MJ042084 17,18-Epoxy-1(19),7,10,12-xenicatetraene-6,14,17-triol, 17-Me ether C21H32O4 348.230059 NA MeJP NA NA +MJ042085 17,19-Kauranediol, Dicarboxylic acid, 19-Me ester C21H32O4 348.230059 NA MeJP NA NA +MJ042086 17-Hydroxy-15,16-isocopalanedioic acid, 15?17 Lactone, Me ester C21H32O4 348.230059 NA MeJP NA NA +MJ042087 18,19-Epoxy-18-hydroxy-3-cleroden-15-oic acid, 13,14-Didehydro(E-), Me ether C21H32O4 348.230059 NA MeJP NA NA +MJ042088 18-Hydroxy-3-oxo-8(17),13-labdadien-15-oic acid, Me ester C21H32O4 348.230059 NA MeJP NA NA +MJ042089 2,19-Epoxy-2,3-dihydroxypregnan-16-one C21H32O4 348.230059 NA MeJP NA NA +MJ042090 2,3,4-Trihydroxypregn-16-en-20-one C21H32O4 348.230059 NA MeJP NA NA +MJ042091 2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone; 10',11'-Didehydro(Z-) C21H32O4 348.230059 NA MeJP NA NA +MJ042092 2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone; 8',9'-Didehydro(Z-) C21H32O4 348.230059 NA MeJP NA NA +MJ042093 3,12,14-Trihydroxypregn-5-en-20-one C21H32O4 348.230059 NA MeJP NA NA +MJ042094 3,13-Clerodadiene-15,18-diol, Dicarboxylic acid, 15-Me ester C21H32O4 348.230059 NA MeJP NA NA +MJ042095 3,14,15-Trihydroxypregn-5-en-20-one C21H32O4 348.230059 NA MeJP NA NA +MJ042096 3,15,17-Trihydroxypregn-5-en-20-one C21H32O4 348.230059 NA MeJP NA NA +MJ042097 3,17-Dihydroxypregnane-1,20-dione C21H32O4 348.230059 NA MeJP NA NA +MJ042098 3,21-Dihydroxypregnane-11,20-dione C21H32O4 348.230059 NA MeJP NA NA +MJ042099 3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 6-Me ether C21H32O4 348.230059 NA MeJP NA NA +MJ042100 3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(3-Methyl-2-pentenoyl)(E-) C21H32O4 348.230059 NA MeJP NA NA +MJ042101 3,4-Epoxy-8-hydroxy-6,11,15(17)-cembratrien-16-oic acid, Me ester C21H32O4 348.230059 NA MeJP NA NA +MJ042102 3,7,20-Trihydroxypregn-4-en-15-one C21H32O4 348.230059 NA MeJP NA NA +MJ042103 3,8,14-Trihydroxypregn-5-en-20-one C21H32O4 348.230059 NA MeJP NA NA +MJ042104 3,8,16-Trihydroxy-1,10(14)-fusicoccadien-13-one, 16-Me ether C21H32O4 348.230059 NA MeJP NA NA +MJ042105 4,9-Dihydroxy-10(14)-oplopen-3-one, 9-(3-Methyl-2E-pentenoyl) C21H32O4 348.230059 NA MeJP NA NA +MJ042106 6,12-Epoxy-1(10),4-germacradiene-8,12-diol, 12-Me ether, 8-angeloyl C21H32O4 348.230059 NA MeJP NA NA +MJ042107 6-(3-Cyclopentyl-3-hydroxy-1-propenyl)-1,3a,4,5,6,6a-hexahydro-5-hydroxy-2-pentalenepentanoic acid C21H32O4 348.230059 NA MeJP NA NA +MJ042108 7,15-Dihydroxypregnane-3,20-dione C21H32O4 348.230059 NA MeJP NA NA +MJ042109 8(17),13-Labdadiene-15,18-diol, 15,18-Dicarboxylic acid, 15-Me ester C21H32O4 348.230059 NA MeJP NA NA +MJ042110 8(17),13-Labdadiene-15,19-dioic acid; 13E-form, 15-Me ester C21H32O4 348.230059 NA MeJP NA NA +MJ042111 8(17),13-Labdadiene-15,19-dioic acid; 13E-form, 19-Me ester C21H32O4 348.230059 NA MeJP NA NA +MJ042112 9,15-Dioxo-5,8(12)-prostadienoic acid, Me ester C21H32O4 348.230059 NA MeJP NA NA +MJ042113 ACTG Toxin A C21H32O4 348.230059 NA MeJP NA NA +MJ042114 Ataprost C21H32O4 348.230059 NA MeJP NA NA +MJ042115 Brassicene C C21H32O4 348.230059 NA MeJP NA NA +MJ042116 Cannabiripsol C21H32O4 348.230059 NA MeJP NA NA +MJ042117 Chatancin C21H32O4 348.230059 NA MeJP NA NA +MJ042118 Cheloviolene D C21H32O4 348.230059 NA MeJP NA NA +MJ042119 Cheloviolene E C21H32O4 348.230059 NA MeJP NA NA +MJ042120 Floridicin; 2-Me ether C21H32O4 348.230059 NA MeJP NA NA +MJ042121 Gingerdiones; [10]Gingerdione C21H32O4 348.230059 NA MeJP NA NA +MJ042122 Glycerol 1-alkanoates; Glycerol 1-(7Z,9Z,12Z-octadecatrien-5-ynoate) C21H32O4 348.230059 NA MeJP NA NA +MJ042123 Glycerol 1-alkanoates; Glycerol 1-(9,12,15-octadecatrien-6-ynoate) C21H32O4 348.230059 NA MeJP NA NA +MJ042124 Paradol; [8]Paradol, Ac C21H32O4 348.230059 NA MeJP NA NA +MJ042125 Pregna-5,14-diene-3,17,20,21-tetrol C21H32O4 348.230059 NA MeJP NA NA +MJ042126 Protomycinolide IV C21H32O4 348.230059 NA MeJP NA NA +MJ042127 Schistochilic acid A C21H32O4 348.230059 NA MeJP NA NA +MJ042128 Seconorrlandin B C21H32O4 348.230059 NA MeJP NA NA +MJ042129 Tricycloalternarene 3a; 2,3-Dihydro, 1-hydroxy C21H32O4 348.230059 NA MeJP NA NA +MJ042130 Ulocladol A; 2,3-Dihydro, 1-hydroxy C21H32O4 348.230059 NA MeJP NA NA +HMDB00353 3b,15b,17a-Trihydroxy-pregnenone C21H32O4 348.23007 http://www.hmdb.ca/metabolites/HMDB00353 HMDB NA NA +HMDB00382 3b,17a,21-Trihydroxypregnenone C21H32O4 348.23007 http://www.hmdb.ca/metabolites/HMDB00382 HMDB NA NA +HMDB06755 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione C21H32O4 348.23007 http://www.hmdb.ca/metabolites/HMDB06755 HMDB NA NA +HMDB06757 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione C21H32O4 348.23007 http://www.hmdb.ca/metabolites/HMDB06757 HMDB NA NA +HMDB06762 17alpha,21-Dihydroxypreg-nenolone C21H32O4 348.23007 http://www.hmdb.ca/metabolites/HMDB06762 HMDB NA NA +HMDB00353 3b,15b,17a-Trihydroxy-pregnenone C21H32O4 348.23007 HMDB00353 PFEM_hmdb_metabocards_official NA NA +HMDB00382 3b,17a,21-Trihydroxypregnenone C21H32O4 348.23007 HMDB00382 PFEM_hmdb_metabocards_official NA NA +HMDB06755 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione C21H32O4 348.23007 HMDB06755 PFEM_hmdb_metabocards_official NA NA +HMDB06757 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione C21H32O4 348.23007 HMDB06757 PFEM_hmdb_metabocards_official NA NA +HMDB06762 17alpha,21-Dihydroxypreg-nenolone C21H32O4 348.23007 HMDB06762 PFEM_hmdb_metabocards_official NA NA +HMDB00353 3b,15b,17a-Trihydroxy-pregnenone C21H32O4 348.230072 NA HMDB2010 NA NA +HMDB00382 3b,17a,21-Trihydroxypregnenone C21H32O4 348.230072 NA HMDB2010 NA NA +HMDB06755 3a,21-Dihydroxy-5b-pregnane-11,20-dione C21H32O4 348.230072 NA HMDB2010 NA NA +HMDB06757 11b,21-Dihydroxy-5b-pregnane-3,20-dione C21H32O4 348.230072 NA HMDB2010 NA NA +HMDB06762 17a,21-Dihydroxypreg-nenolone C21H32O4 348.230072 NA HMDB2010 NA NA +C05475 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione C21H32O4 348.2301 NA KEGG NA NA +C05478 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione C21H32O4 348.2301 NA KEGG NA NA +C05487 17alpha,21-Dihydroxypregnenolone C21H32O4 348.2301 NA KEGG NA NA +C14598 3alpha,17alpha-Dihydroxy-5beta-pregnane-11,20-dione C21H32O4 348.2301 NA KEGG NA NA +C15685 Protomycinolide IV C21H32O4 348.2301 NA KEGG NA NA +MJ042131 Fortimicin B C15H32N4O5 348.23727 NA MeJP NA NA +MJ042132 Fortimicin E C15H32N4O5 348.23727 NA MeJP NA NA +MJ042133 Fortimicin KO1 C15H32N4O5 348.23727 NA MeJP NA NA +C17709 Fortimicin B C15H32N4O5 348.2373 NA KEGG NA NA +C17976 Fortimicin KH C15H32N4O5 348.2373 NA KEGG NA NA +C17977 Fortimicin KR C15H32N4O5 348.2373 NA KEGG NA NA +C17978 1-epi-Fortimicin B C15H32N4O5 348.2373 NA KEGG NA NA +MJ042134 13-Hydroxylupanine; O-(2-Methylbutanoyl) C20H32N2O3 348.241292 NA MeJP NA NA +MJ042135 13-Hydroxylupanine; O-(3-Methylbutanoyl) C20H32N2O3 348.241292 NA MeJP NA NA +MJ042136 13-Hydroxylupanine; O-Pentanoyl C20H32N2O3 348.241292 NA MeJP NA NA +MJ042137 7-[6-(3-Hydroxy-1-octenyl)-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl]-5-heptenoic acid C20H32N2O3 348.241292 NA MeJP NA NA +MJ042138 Ethyl 4-(2-methoxyphenyl)-1-piperazineheptanoate C20H32N2O3 348.241292 NA MeJP NA NA +MJ042139 2,3,7,13-Tetrahydroxyoctadecanoic acid C18H36O6 348.251188 NA MeJP NA NA +MJ042140 9,10,12,13-Tetrahydroxyoctadecanoic acid C18H36O6 348.251188 NA MeJP NA NA +MJ042141 Protoverbine; 4'-Hydroxy C19H32N4O2 348.252526 NA MeJP NA NA +C10759 Anacardic acid C22H36O3 348.2664 NA KEGG NA NA +C14919 17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3- C22H36O3 348.2664 NA KEGG NA NA +MJ042142 1,14-Epoxy-4-dolastanol, Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042143 1,6,10,14-Phytatetraene-3,13-diol, 13-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042144 1-(2,6-Dihydroxyphenyl)-4-hexadecen-1-one; 4',5'-Dihydro C22H36O3 348.266445 NA MeJP NA NA +MJ042145 1-(4-Hydroxyphenyl)-5-hexadecanone; 3'-Hydroxy C22H36O3 348.266445 NA MeJP NA NA +MJ042146 1-Pentadecanol; 4-Hydroxybenzoyl C22H36O3 348.266445 NA MeJP NA NA +MJ042147 10-Hydroxy-7,11,13,16-docosatetraenoic acid C22H36O3 348.266445 NA MeJP NA NA +MJ042148 13(20)-Chromophycene-1,4-diol; 4-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042149 15-Isopimarene-3,8-diol, 3-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042150 15-Isopimarene-6,8-diol, 6-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042151 15-Isopimarene-8,12-diol, 12-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042152 15-Rosene-5,19-diol, 19-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042153 16,17-Kauranediol, 17-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042154 16,17-Stemodanediol; 16?-form, 17-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042155 16,18-Atisanediol, 18-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042156 16,19-Kauranediol, 19-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042157 16,19-Stemodanediol; 16?-form, 19-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042158 16-Hydroperoxy-13(17)-mansumbinen-3-ol C22H36O3 348.266445 NA MeJP NA NA +MJ042159 17(16?15)-Abeo-16-acetyl-16,17-kauranediol C22H36O3 348.266445 NA MeJP NA NA +MJ042160 17,19-Kauranediol, 19-Carboxylic acid, 17-Et ether C22H36O3 348.266445 NA MeJP NA NA +MJ042161 2,11-Verrucosanediol, 11-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042162 2,11-Verrucosanediol, 2-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042163 2,7-Dolabelladiene-10,18-diol, 10-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042164 2,7-Dolabelladiene-10,18-diol, 18-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042165 2,8-Dolabelladiene-4,7-diol, 7-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042166 2,9-Verrucosanediol, 9-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042167 2-Hydroxy-6-pentadecyl-1,4-benzoquinone; Me ether C22H36O3 348.266445 NA MeJP NA NA +MJ042168 2-Hydroxy-6-pentadecylbenzoic acid C22H36O3 348.266445 NA MeJP NA NA +MJ042169 3,14-Clerodadiene-13,18-diol, 13-Epimer, 18-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042170 3,16-Kauranediol, 3-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042171 3,7,11-Cembratrien-15-ol, 7,8-Epoxide, Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042172 3,7-Dolabelladiene-6,12-diol, 6-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042173 3,7-Dolabelladiene-9,12-diol, 9-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042174 3-(4-Hydroxyphenyl)propanoic acid; Tridecyl ester C22H36O3 348.266445 NA MeJP NA NA +MJ042175 3-Hydroxy-2-(1-oxo-10-hexadecenyl)-2-cyclohexen-1-one C22H36O3 348.266445 NA MeJP NA NA +MJ042176 4,8(19)-Xeniaphylladiene-14,15-diol; 14-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042177 7,13-Labdadiene-15,17-diol, 15-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042178 7,13-Labdadiene-15,19-diol, 19-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042179 7,13-Labdadiene-2,15-diol, 15-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042180 7,13-Labdadiene-3,15-diol, 15-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042181 7,13-Labdadiene-3,15-diol, 3-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042182 7,14-Labdadiene-13,17-diol, 17-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042183 7,14-Labdadiene-6,13-diol, 6-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042184 7,16-Seco-7,11-trinervitadiene-3,15-diol, 3-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042185 7-Abietene-14,18-diol, 14-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042186 7-Abietene-14,18-diol, 18-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042187 7-[3-(3-Hydroxy-1-octenyl)bicyclo[3.1.1]hept-2-yl]-5-heptenoic acid C22H36O3 348.266445 NA MeJP NA NA +MJ042188 8(14)-Abietene-2,13-diol, 2-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042189 8(14)-Abietene-7,18-diol, 18-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042190 8(14)-Abietene-7,18-diol, 7-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042191 8(17),12-Labdadiene-15,16-diol, 15,16-Dialdehyde, 15-dimethyl acetal C22H36O3 348.266445 NA MeJP NA NA +MJ042192 8(17),13-Labdadiene-15,19-diol, 15-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042193 8(17),13-Labdadiene-15,19-diol, 19-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042194 8(17),13-Labdadiene-3,15-diol, 15-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042195 8(17),13-Labdadiene-7,15-diol, 7-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042196 8(17),14-Labdadiene-3,13-diol, 3-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042197 8(17),14-Labdadiene-6,13-diol, 6-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042198 8(17)-Labdene-15,19-diol, 19-Aldehyde, 15-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042199 8,10,13(15)-Lobatriene-14,17,18-triol, 14-Deoxy, 17-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042200 8,13-Epoxy-14-labden-12-ol, Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042201 8,13-Epoxy-14-labden-18-ol, Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042202 8,13-Epoxy-14-labden-19-ol, Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042203 8,13-Labdadiene-15,19-diol, 15-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042204 8,13-Labdadiene-6,15-diol, 6-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042205 8-Hydroxy-5,9,11,14-eicosatetraenoic acid, Et ester C22H36O3 348.266445 NA MeJP NA NA +MJ042206 Azorellanol C22H36O3 348.266445 NA MeJP NA NA +MJ042207 Dictyol C; 10-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042208 Dilophol; 3?-Hydroxy, 6-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042209 Plakortone A C22H36O3 348.266445 NA MeJP NA NA +MJ042210 Rottnestol C22H36O3 348.266445 NA MeJP NA NA +MJ042211 ?-Dictalediol; 4-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042212 ?-Dictalediol; ?12 isomer, 4-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042213 ?-Dictalediol; ?12(20) isomer, 4-Ac C22H36O3 348.266445 NA MeJP NA NA +MJ042214 1-Hydroxy-2,5,14-tricosatrien-4-one C23H40O2 348.30283 NA MeJP NA NA +MJ042215 1-Hydroxy-2,5,16-tricosatrien-4-one C23H40O2 348.30283 NA MeJP NA NA +MJ042216 1-Hydroxy-2,5,18-tricosatrien-4-one C23H40O2 348.30283 NA MeJP NA NA +MJ042217 2-(9-Methyldecyl)-5-(4-methylpentyl)-1,3-benzenediol C23H40O2 348.30283 NA MeJP NA NA +MJ042218 3-Heptadecyl-1,2-benzenediol C23H40O2 348.30283 NA MeJP NA NA +MJ042219 4-Heptadecyl-1,2-benzenediol C23H40O2 348.30283 NA MeJP NA NA +MJ042220 5-Heptadecyl-1,3-benzenediol C23H40O2 348.30283 NA MeJP NA NA +MJ042221 8(14)-Abietene-7,18-diol, 7-Propyl ether C23H40O2 348.30283 NA MeJP NA NA +MJ042222 Xestamine C C22H40N2O 348.314063 NA MeJP NA NA +MJ042223 Xestamine E C22H40N2O 348.314063 NA MeJP NA NA +MJ042224 Xestamine D; N1-Me C22H41N2O(+) 348.314063 NA MeJP NA NA +MJ042225 1,16-Pentacosadiene C25H48 348.375601 NA MeJP NA NA +MJ042226 2,6,10,14-Tetramethyl-7-(3-methyl-4-pentenyl)-5-pentadecene C25H48 348.375601 NA MeJP NA NA +MJ042227 3-(3,7-Dimethyloctyl)-2,6,10-trimethyl-1,11-dodecadiene C25H48 348.375601 NA MeJP NA NA +MJ042228 7,11-Pentacosadiene C25H48 348.375601 NA MeJP NA NA +MJ042229 Convolutamydines; Convolutamydine E C10H9Br2NO3 348.894918 NA MeJP NA NA +C11274 Tetrachlorosalicylanilide C13H7Cl4NO2 348.9231 NA KEGG NA NA +MJ042230 Chlorpyrifos C9H11Cl3NO3PS 348.926283 NA MeJP NA NA +C14322 Chlorpyrifos C9H11Cl3NO3PS 348.9263 NA KEGG NA NA +MJ042231 2-(3,5-Dibromo-4-hydroxyphenyl)ethylamine; Me ether, N,N,N-tri-Me C12H18Br2NO(+) 348.967689 NA MeJP NA NA +MJ042232 Sulopenem C12H15NO5S3 349.011234 NA MeJP NA NA +MJ042233 Nifluridide C10H6F7N3O3 349.029738 NA MeJP NA NA +MJ042234 Varacin A; 5-(Methylthio), N,N-di-Me C13H19NO2S4 349.029861 NA MeJP NA NA +MJ042235 1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate C12H16NO9P 349.056267 NA MeJP NA NA +MJ042236 N-(5-Phospho-D-ribosyl)anthranilate C12H16NO9P 349.056267 NA MeJP NA NA +MetaCyc03097 N-(5'-phosphoribosyl)-anthranilate [N-(5-phospho-D-ribosyl)-anthranilate;N-(5-phospho-β-D-ribosyl)-anthranilate;5-phosphoribosyl-anthranilate;5-P-ribosyl-anthranilate;5'-phosphoribosyl-anthranilate;5'-P-ribosyl-anthranilate;N-(5-phosphoribosyl)-anthranilate;] C12H16N1O9P1 349.056268 NA metacyc NA NA +MetaCyc03098 1-(o-carboxyphenylamino)-1'-deoxyribulose-5'-phosphate [1-(o-carboxyphenylamino)-1'-deoxyribulose-5'-P;1-(2-carboxyphenylamino)-1-deoxy-D-ribulose-5-phosphate;1-(2-carboxyphenylamino)-1-deoxy-D-ribulose-5-P;] C12H16N1O9P1 349.056268 NA metacyc NA NA +C01302 1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate C12H16NO9P 349.0563 NA KEGG NA NA +C04302 N-(5-Phospho-D-ribosyl)anthranilate C12H16NO9P 349.0563 NA KEGG NA NA +C10528 1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate C12H16NO9P 349.0563 NA KEGG NA NA +MJ042237 5-(2'-Fluoro[1,1'-biphenyl]-4-yl)thieno[3,2-b]pyridine-7-carboxylic acid C20H12FNO2S 349.057277 NA MeJP NA NA +MJ042238 Cassamedine C19H11NO6 349.058637 NA MeJP NA NA +MJ042239 Hypecoumine C19H11NO6 349.058637 NA MeJP NA NA +MJ042240 Oxoduocine C19H11NO6 349.058637 NA MeJP NA NA +MJ042241 Stephadione C19H11NO6 349.058637 NA MeJP NA NA +C04684 m-Carboxyphenyl phenylacetamidomethylphosphonate C16H16NO6P 349.0715 NA KEGG NA NA +MJ042242 ?-[(Phosphonomethyl)amino]-3-dibenzofuranpropanoic acid C16H16NO6P 349.071523 NA MeJP NA NA +MJ042243 Naftalofos C16H16NO6P 349.071523 NA MeJP NA NA +MJ042244 Zomepirac; Carboxymethyl ester C17H16ClNO5 349.0717 NA MeJP NA NA +MJ042245 Reticulidin A C16H22Cl3NO 349.076697 NA MeJP NA NA +MJ042246 Salfredin C1; N-(1-Carboxyethyl) C16H15NO8 349.079766 NA MeJP NA NA +MJ042247 Loracarbef C16H16ClN3O4 349.082933 NA MeJP NA NA +C14492 Ulifloxacin C16H16FN3O3S 349.0896 NA KEGG NA NA +MJ042248 6-Fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid C16H16FN3O3S 349.08964 NA MeJP NA NA +MetaCyc03099 S-acetylglutathione [] C12H19N3O7S1 349.094371 NA metacyc NA NA +C14871 S-(Formylmethyl)glutathione C12H19N3O7S 349.0944 NA KEGG NA NA +C05247 10-Hydroxydihydrosanguinarine C20H15NO5 349.095 NA KEGG NA NA +C05250 [Protein-PII] C10H10N2O3R2 349.095 NA KEGG NA NA +C05251 Ubiquinone-0 C10H10N2O3R2 349.095 NA KEGG NA NA +MJ042249 Dihydrosanguinarine; 12-Hydroxy C20H15NO5 349.095022 NA MeJP NA NA +MJ042250 Dihydrosanguinarine; 8-Hydroxy C20H15NO5 349.095022 NA MeJP NA NA +MJ042251 Oxyterihanine C20H15NO5 349.095022 NA MeJP NA NA +MJ042252 10-Hydroxydihydrosanguinarine C20H15NO5 349.095022 NA MeJP NA NA +MJ042253 Uthongine C20H16NO5(+) 349.095022 NA MeJP NA NA +MetaCyc03100 10-hydroxydihydrosanguinarine [] C20H15N1O5 349.095023 NA metacyc NA NA +MJ042254 Mefenidramium(1+); Bromide C18H24BrNO 349.104127 NA MeJP NA NA +PJ000448 CNN C11H19N5O6S 349.1056 NA PeJP NA NA +C06574 Ampicillin C16H19N3O4S 349.1096 NA KEGG NA NA +C06897 Cephradine C16H19N3O4S 349.1096 NA KEGG NA NA +C11749 Penicillin T C16H19N3O4S 349.1096 NA KEGG NA NA +MJ042255 6-(4-Aminophenylacetamido)penicillanic acid C16H19N3O4S 349.109626 NA MeJP NA NA +MJ042256 Ampicillin C16H19N3O4S 349.109626 NA MeJP NA NA +MJ042257 Cefradine C16H19N3O4S 349.109626 NA MeJP NA NA +PJ000449 SDE C12H19N3O9 349.1121 NA PeJP NA NA +PJ000450 PCM C13H23N3O4S2 349.113 NA PeJP NA NA +MJ042258 Befloxatone C15H18F3NO5 349.113707 NA MeJP NA NA +C07622 Voriconazole C16H14F3N5O 349.115 NA KEGG NA NA +C07623 Transferred to D00579 C16H14F3N5O 349.115 NA KEGG NA NA +MJ042259 Voriconazole C16H14F3N5O 349.115044 NA MeJP NA NA +MJ042260 Mescaline isocitrimide lactone C17H19NO7 349.116151 NA MeJP NA NA +MJ042261 Azasetron C17H20ClN3O3 349.119319 NA MeJP NA NA +MJ042262 Flufenamic acid; 3-Methyl-2-butenyl ester C19H18F3NO2 349.128963 NA MeJP NA NA +PJ000451 AEM C13H23N3O6S 349.1308 NA PeJP NA NA +C12019 2-(Biaryl)carbapenems C21H19NO4 349.1314 NA KEGG NA NA +MJ042263 Cinmetacin C21H19NO4 349.131408 NA MeJP NA NA +MJ042264 Dihydrochelerythrine C21H19NO4 349.131408 NA MeJP NA NA +MJ042265 Dihydronitidine C21H19NO4 349.131408 NA MeJP NA NA +MJ042266 Ochotensidine C21H19NO4 349.131408 NA MeJP NA NA +MJ042267 Oxarbazole C21H19NO4 349.131408 NA MeJP NA NA +MJ042268 Dehydroapocavidine; Me ether C21H20NO4(+) 349.131408 NA MeJP NA NA +MJ042269 Dehydrothalictricavine C21H20NO4(+) 349.131408 NA MeJP NA NA +MJ042270 Fagaronine C21H20NO4(+) 349.131408 NA MeJP NA NA +MJ042271 Punctatine C21H20NO4(+) 349.131408 NA MeJP NA NA +7918 synthetic peptide GHH 349.137 antioxidative Inhouse_peptide NA peptide +MJ042272 3,4-Dihydro-4,6,7-trimethyl-3-?-D-ribofuranosyl-9H-imidazo[1,2-a]purin-9-one C15H19N5O5 349.138618 NA MeJP NA NA +C10637 Anisessine C20H19N3O3 349.1426 NA KEGG NA NA +C10639 Anisotine C20H19N3O3 349.1426 NA KEGG NA NA +MJ042273 Anisessine C20H19N3O3 349.142641 NA MeJP NA NA +MJ042274 Anisotine C20H19N3O3 349.142641 NA MeJP NA NA +PJ000452 TTE C13H23N3O8 349.1485 NA PeJP NA NA +PJ000453 GHH C14H19N7O4 349.1499 NA PeJP NA NA +C10375 Riddelline C18H23NO6 349.1525 NA KEGG NA NA +MJ042275 Antibiotic NFAT 68 C18H23NO6 349.152537 NA MeJP NA NA +MJ042276 Crispine C18H23NO6 349.152537 NA MeJP NA NA +MJ042277 Erucifoline C18H23NO6 349.152537 NA MeJP NA NA +MJ042278 Jacobine; 13,19-Didehydro C18H23NO6 349.152537 NA MeJP NA NA +MJ042279 Preskimmianine; 3',4'-Dihydro, 2'-oxo, 3'-hydroxy C18H23NO6 349.152537 NA MeJP NA NA +MJ042280 Seneciphylline; 12-Epimer, 15E-isomer, N-oxide C18H23NO6 349.152537 NA MeJP NA NA +MJ042281 Seneciphylline; 13?,19-Epoxide C18H23NO6 349.152537 NA MeJP NA NA +MJ042282 Seneciphylline; 15E-Isomer, 13?,19-epoxide C18H23NO6 349.152537 NA MeJP NA NA +MJ042283 Seneciphylline; 18-Hydroxy C18H23NO6 349.152537 NA MeJP NA NA +MJ042284 Seneciphylline; N-Oxide C18H23NO6 349.152537 NA MeJP NA NA +MJ042285 Swazine C18H23NO6 349.152537 NA MeJP NA NA +MJ042286 Pancopride C18H24ClN3O2 349.155704 NA MeJP NA NA +MJ042287 Antibiotic L 681176 C12H23N5O7 349.159748 NA MeJP NA NA +MJ042288 Cathestatin B; 4'-Deoxy C17H23N3O5 349.16377 NA MeJP NA NA +PJ000454 APY C17H23N3O5 349.1638 NA PeJP NA NA +PJ000455 SLM C14H27N3O5S 349.1672 NA PeJP NA NA +MJ042289 2-[6-(3,4-Methylenedioxyphenyl)hexyl]-4(1H)-quinolinone C22H23NO3 349.167793 NA MeJP NA NA +MJ042290 Antofine, O6-De-Me C22H23NO3 349.167793 NA MeJP NA NA +MJ042291 Pemedolac C22H23NO3 349.167793 NA MeJP NA NA +MJ042292 Tylophorinine, Deoxy, O6-de-Me C22H23NO3 349.167793 NA MeJP NA NA +PJ000456 PPH C16H23N5O4 349.175 NA PeJP NA NA +MJ042293 Adenosine; 6N-Cyclohexyl C16H23N5O4 349.175004 NA MeJP NA NA +MJ042294 Deoxybrevianamide E; 12,13-Didehydro C21H23N3O2 349.179026 NA MeJP NA NA +MJ042295 Fumitremorgin C; Natural-form, Demethoxy C21H23N3O2 349.179026 NA MeJP NA NA +MJ042296 Prealmazole C C21H23N3O2 349.179026 NA MeJP NA NA +MJ042297 Alancine C19H27NO5 349.188922 NA MeJP NA NA +7823 ACE inhibitor from micro algae FAL 349.189 antithrombotic Inhouse_peptide NA peptide +MJ042298 2,6-Dimethyl-4-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]morpholine C20H23N5O 349.19026 NA MeJP NA NA +MJ042299 Metrazifone C20H23N5O 349.19026 NA MeJP NA NA +PJ000457 ALF C18H27N3O4 349.2002 NA PeJP NA NA +MJ042300 7-(6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl)-5-heptynenitrile C23H27NO2 349.204179 NA MeJP NA NA +MJ042301 Azaprophen C23H27NO2 349.204179 NA MeJP NA NA +MJ042302 Euchrestine C C23H27NO2 349.204179 NA MeJP NA NA +MJ042303 Euchrestine D C23H27NO2 349.204179 NA MeJP NA NA +MJ042304 Exozoline; 1'-Hydroxy C23H27NO2 349.204179 NA MeJP NA NA +MJ042305 Mahanimbine, 3',4'-Dihydro, 4'-hydroxy C23H27NO2 349.204179 NA MeJP NA NA +MJ042306 Murrayamine O C23H27NO2 349.204179 NA MeJP NA NA +MJ042307 Pituxate C23H27NO2 349.204179 NA MeJP NA NA +MJ042308 Cetiedil C20H31NO2S 349.207549 NA MeJP NA NA +C13786 Cetiedil C20H31NO2S 349.2076 NA KEGG NA NA +MJ042309 Fawcettiine, 8-Epimer, Ac C20H31NO4 349.225308 NA MeJP NA NA +MJ042310 Fawcettiine, Ac C20H31NO4 349.225308 NA MeJP NA NA +MJ042311 Lepadin B; 7'-Oxo, O-(hydroxyacetyl) C20H31NO4 349.225308 NA MeJP NA NA +MJ042312 Lycoclavine; Ac C20H31NO4 349.225308 NA MeJP NA NA +MJ042313 2-Pentadecyl-4(1H)-quinolinone; 6',7',9',10',12',13'-Hexadehydro (all-E) C24H31NO 349.240564 NA MeJP NA NA +MJ042314 4,4-Diphenyl-6-(1-piperidinyl)-3-heptanone C24H31NO 349.240564 NA MeJP NA NA +MJ042315 Abiraterone C24H31NO 349.240564 NA MeJP NA NA +MJ042316 Cylindricine C; Ac C21H35NO3 349.261693 NA MeJP NA NA +MJ042317 Neovasipyridone; N-(2-Methylbutyl) C21H35NO3 349.261693 NA MeJP NA NA +MJ042318 Neovasipyridone; N-(3-Methylbutyl) C21H35NO3 349.261693 NA MeJP NA NA +MJ042319 N-(2-Fluoroethyl)-5,8,11,14-eicosatetraenamide C22H36FNO 349.278092 NA MeJP NA NA +HMDB13625 Dihomo-gamma-Linolenoyl ethanolamide C22H39NO2 349.298065 NA HMDB2010 NA NA +MJ042320 12-Oxo-2-octadecenoic acid, Pyrrolidide C22H39NO2 349.298079 NA MeJP NA NA +MJ042321 Dictyolucidine C22H39NO2 349.298079 NA MeJP NA NA +C13828 8,11,14-Eicosatrienoylethanolamide C22H39NO2 349.2981 NA KEGG NA NA +3639 NA YPFGFA~ 349.6625 MH2+ Inhouse_peptide NA peptide +3420 NA GVYPHK 349.678 MH2+ Inhouse_peptide NA peptide +8305 Antioxidative peptide QLGNLGV 349.68945 MH2+ Inhouse_peptide NA peptide +MJ042322 1,2-Dibromo-1,4-dichloro-1-octen-3-one C8H10Br2Cl2O 349.847545 NA MeJP NA NA +MJ042323 2,4-Dibromo-1,1-dichloro-1-octen-3-one C8H10Br2Cl2O 349.847545 NA MeJP NA NA +MJ042324 1,1,1,7,7,7-Hexachloro-2,6-dihydroxy-4-heptanone C7H8Cl6O3 349.86046 NA MeJP NA NA +MJ042325 2-(Bromochloromethyl)-1,5,6-trichloro-6-methyl-1,3,7-octatriene C10H11BrCl4 349.879823 NA MeJP NA NA +MJ042326 Lotifazole C12H9Cl3N2O2S 349.945031 NA MeJP NA NA +MJ042327 Molokaiamine C11H16Br2N2O 349.962938 NA MeJP NA NA +FL3FAANSS001 Apigenin 7-sulfate C15H10O8S 350.00963 56857-56-8 knapsack NA NA +MJ042328 3,5,7-Trihydroxyflavone-8-sulfonic acid C15H10O8S 350.009637 NA MeJP NA NA +MJ042329 4',5,7-Trihydroxyflavone; 7-O-Sulfate C15H10O8S 350.009637 NA MeJP NA NA +MJ042330 Chloromonilicin C16H11ClO7 350.01933 NA MeJP NA NA +MJ042331 3,5-Didecanoylpyridine C25H4NO2 350.024203 NA MeJP NA NA +MJ042332 Chloro(triethylphosphine)gold(I) C6H15AuClP 350.026541 NA MeJP NA NA +MJ042333 Palmarumycin CP1; 3-Chloro C20H11ClO4 350.034586 NA MeJP NA NA +MJ042334 Lombricine, N?-Phosphonyl C6H16N4O9P2 350.039251 NA MeJP NA NA +MJ042335 N-Phospholombricine C6H16N4O9P2 350.039251 NA MeJP NA NA +C02855 N-Phospho-D-lombricine C6H16N4O9P2 350.0393 NA KEGG NA NA +C14178 N-Phospholombricine C6H16N4O9P2 350.0393 NA KEGG NA NA +MJ042336 Sulofenur C16H15ClN2O3S 350.04919 NA MeJP NA NA +C08429 Clitidine 5'-phosphate C11H15N2O9P 350.0515 NA KEGG NA NA +MJ042337 Clitidine; 5'-Phosphate C11H15N2O9P 350.051516 NA MeJP NA NA +MJ042338 Naftoxate C19H14N2OS2 350.054754 NA MeJP NA NA +MJ042339 Griseofulvin, 5',6'-Didehydro C17H15ClO6 350.055715 NA MeJP NA NA +MJ042340 Loviride C17H16Cl2N2O2 350.058883 NA MeJP NA NA +MJ042341 Rhodolauradiol C15H24BrClO2 350.06482 NA MeJP NA NA +MJ042342 Benzyl glucopyranoside; ?-D-form, 2-O-Sulfate C13H18O9S 350.067152 NA MeJP NA NA +C10295 Alteichin C20H14O6 350.079 NA KEGG NA NA +C12377 Tetracenomycin B1 C20H14O6 350.079 NA KEGG NA NA +MJ042343 1,4-Dihydro-4,8,8'-trihydroxy-[1,2'-binaphthalene]-1',3,4'(2H)-trione C20H14O6 350.079038 NA MeJP NA NA +MJ042344 3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4'-Methylene, 4-Me ether C20H14O6 350.079038 NA MeJP NA NA +MJ042345 3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4'-Methylene, 5-Me ether C20H14O6 350.079038 NA MeJP NA NA +MJ042346 3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 7,7'R-Dihydro, 3',4',:4,5-bis(methylene) ether C20H14O6 350.079038 NA MeJP NA NA +MJ042347 3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 7,8-Dihydro, 3',4':4,5-bis(methylene) ether C20H14O6 350.079038 NA MeJP NA NA +MJ042348 3,3'-Ethylidenebis[4-hydroxy-2H-1-benzopyran-2-one] C20H14O6 350.079038 NA MeJP NA NA +MJ042349 7,7'-Dihydroxy-8,8'-bicoumarin; Di-Me ether C20H14O6 350.079038 NA MeJP NA NA +MJ042350 8-Ethyl-1,6,10,11-tetrahydroxy-5,12-naphthacenedione C20H14O6 350.079038 NA MeJP NA NA +MJ042351 8-Methoxy-3-methylbenz[a]anthracene-1,4,7,12-tetrone; 2,3-Dihydro, 3-hydroxy C20H14O6 350.079038 NA MeJP NA NA +MJ042352 Alterperylenol C20H14O6 350.079038 NA MeJP NA NA +MJ042353 Altertoxin II C20H14O6 350.079038 NA MeJP NA NA +MJ042354 Arnottin I C20H14O6 350.079038 NA MeJP NA NA +MJ042355 Bicoumol; Di-Me ether C20H14O6 350.079038 NA MeJP NA NA +MJ042356 Corticin C C20H14O6 350.079038 NA MeJP NA NA +MJ042357 Dictyomedin A; 3'-Demethoxy C20H14O6 350.079038 NA MeJP NA NA +MJ042358 Jusneesiinol; Deoxy C20H14O6 350.079038 NA MeJP NA NA +MJ042359 Lupinalbin H C20H14O6 350.079038 NA MeJP NA NA +MJ042360 Palmarumycin CP1; 2,3-Dihydro, 2R,8-dihydroxy C20H14O6 350.079038 NA MeJP NA NA +MJ042361 Palmarumycin CP1; 8-Hydroxy, 2?,3?-epoxide, 4?-alcohol C20H14O6 350.079038 NA MeJP NA NA +MJ042362 Salvileucantholide C20H14O6 350.079038 NA MeJP NA NA +MJ042363 Taiwanin A C20H14O6 350.079038 NA MeJP NA NA +MJ042364 Tetracenomycin D; 3(or 8)-Me ether C20H14O6 350.079038 NA MeJP NA NA +C14731 16alpha-Bromo-17beta-estradiol C18H23BrO2 350.0881 NA KEGG NA NA +MJ042365 18-Bromo-9,17-octadecadiene-5,7-diynoic acid C18H23BrO2 350.088142 NA MeJP NA NA +MJ042366 18-Bromo-9,17-octadecadiene-7,15-diynoic acid C18H23BrO2 350.088142 NA MeJP NA NA +PJ000458 CND C11H18N4O7S 350.0896 NA PeJP NA NA +C08126 Penicillin V C16H18N2O5S 350.0936 NA KEGG NA NA +C17404 Penicillin X C16H18N2O5S 350.0936 NA KEGG NA NA +MJ042367 4-Hydroxybenzylpenicillin C16H18N2O5S 350.093642 NA MeJP NA NA +MJ042368 Phenoxymethylpenicillin C16H18N2O5S 350.093642 NA MeJP NA NA +MJ042369 5-Methylaltersolanol A C17H18O8 350.100167 NA MeJP NA NA +MJ042370 Erythrostominone; 2'-Alcohol C17H18O8 350.100167 NA MeJP NA NA +MJ042371 Islandic acid II; 1'-O-(2Z,4E)-Hexadienoyl C17H18O8 350.100167 NA MeJP NA NA +MJ042372 2-Butyl-1-[(4-carboxyphenyl)methyl]-4-chloro-1H-imidazole-5-acetic acid C17H19ClN2O4 350.103334 NA MeJP NA NA +MJ042373 Biapenem C15H18N4O4S 350.104875 NA MeJP NA NA +C11268 Biapenem C15H18N4O4S 350.1049 NA KEGG NA NA +MJ042374 Cystothiazole E C17H22N2O2S2 350.112269 NA MeJP NA NA +FL1C1CNP0001 Glabrachromene II C21H18O5 350.11542 51848-09-0 knapsack NA NA +FL2F1CNP0001 Ovaliflavanone B C21H18O5 350.11542 62868-06-8 knapsack NA NA +FL3F19NF0005 Semiglabrinol;(7aS,10R,10aR)-7a,9,10,10a-Tetrahydro-10-hydroxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one C21H18O5 350.11542 51787-33-8 knapsack NA NA +FL3F19NF0007 (-)-Pseudosemiglabrinol;Pseudosemiglabrinol;(7aS,10S,10aR)-7a,9,10,10a-Tetrahydro-10-hydroxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one C21H18O5 350.11542 102916-89-2 knapsack NA NA +FLIA1CNI0001 Maximaisoflavone B C21H18O5 350.11542 4737-28-4 knapsack NA NA +FLIAABNP0001 4'-O-methylalpinumisoflavone C21H18O5 350.11542 27762-87-4 knapsack NA NA +FLIAABNP0002 4'-O-Methylderrone C21H18O5 350.11542 104703-99-3 knapsack NA NA +FLID1CNP0001 Neorautenane;Neorautenaan;1,2-Didehydroneorautane C21H18O5 350.11542 65418-33-9 knapsack NA NA +FLID1CNP0002 Leiocarpin C21H18O5 350.11542 34198-69-1 knapsack NA NA +MJ042375 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-Benzoyl C21H18O5 350.115423 NA MeJP NA NA +MJ042376 3',4',7-Trihydroxy-6-prenylflavone; 3',4'-Methylene ether C21H18O5 350.115423 NA MeJP NA NA +MJ042377 3-Hydroxymethyl-3,5-cyclohexadiene-1,2-diol, 1,1'-Dibenzoyl C21H18O5 350.115423 NA MeJP NA NA +MJ042378 4',7,8-Trihydroxyisoflavone; 7,8-Methylene ether, 4'-O-(3-methyl-2-butenyl) C21H18O5 350.115423 NA MeJP NA NA +MJ042379 5-Hydroxy-2-phenyl-1,8-napthalenedicarboxylic acid; 5-Deoxy, 6-methoxy, di-Me ester C21H18O5 350.115423 NA MeJP NA NA +MJ042380 5-Hydroxy-2-phenyl-1,8-napthalenedicarboxylic acid; Me Ether, di-Me ester C21H18O5 350.115423 NA MeJP NA NA +MJ042381 7,8-Dihydro-7-hydroxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one, O-Benzoyl C21H18O5 350.115423 NA MeJP NA NA +MJ042382 7-Hydroxy-3',4'-methylenedioxyisoflavone; O-(3-Methyl-2-butenyl) C21H18O5 350.115423 NA MeJP NA NA +MJ042383 Alpinumisoflavone; 4'-Me ether C21H18O5 350.115423 NA MeJP NA NA +MJ042384 Alpinumisoflavone; 5-Me ether C21H18O5 350.115423 NA MeJP NA NA +MJ042385 Brasiliquinone B; 8-Me ether C21H18O5 350.115423 NA MeJP NA NA +MJ042386 Derrone; 4'-Me ether C21H18O5 350.115423 NA MeJP NA NA +MJ042387 Derrone; 5-Me ether C21H18O5 350.115423 NA MeJP NA NA +MJ042388 Emoroidocarpan C21H18O5 350.115423 NA MeJP NA NA +MJ042389 Isobavachromene; 3''-Hydroxy, 3'',4''-methylene ether C21H18O5 350.115423 NA MeJP NA NA +MJ042390 Kanzonol W; 4'-Me ether C21H18O5 350.115423 NA MeJP NA NA +MJ042391 Leiocarpin C21H18O5 350.115423 NA MeJP NA NA +MJ042392 Neorautane; 1,2-Didehydro C21H18O5 350.115423 NA MeJP NA NA +MJ042393 Ovalichromene A; Demethoxy C21H18O5 350.115423 NA MeJP NA NA +MJ042394 Piscisoflavone C C21H18O5 350.115423 NA MeJP NA NA +MJ042395 Semiglabrinol C21H18O5 350.115423 NA MeJP NA NA +MJ042396 Estrone 3-sulfate C18H22O5S 350.118794 NA MeJP NA NA +MJ042397 Estrone; O-Sulfate C18H22O5S 350.118794 NA MeJP NA NA +MetaCyc03101 estrone-sulfate [estrone-sulfate;estrone-3-sulfate;evex;oestrone sulphate;] C18H22O5S1 350.118795 481-97-0 metacyc NA NA +EUR103 Estrone sulfate C18H22O5S 350.118797 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR103 Estrone sulfate C18H22O5S 350.118797 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR103 Estrone sulfate C18H22O5S 350.118797 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR103 Estrone sulfate C18H22O5S 350.118797 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR103 Estrone sulfate C18H22O5S 350.118797 Wishlist HMDB NA NA +EUR103 Estrone sulfate C18H22O5S 350.118797 Wishlist Inhouse_PFEM NA NA +EUR103 Estrone sulfate C18H22O5S 350.118797 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR103 Estrone sulfate C18H22O5S 350.118797 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR103 Estrone sulfate C18H22O5S 350.1188 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01425 Estrone sulfate C18H22O5S 350.1188 http://www.hmdb.ca/metabolites/HMDB01425 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR103 Estrone sulfate C18H22O5S 350.1188 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR103 Estrone sulfate C18H22O5S 350.1188 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01425 Estrone sulfate C18H22O5S 350.1188 http://www.hmdb.ca/metabolites/HMDB01425 HMDB NA NA +EUR103 Estrone sulfate C18H22O5S 350.1188 Wishlist Inhousejuil11 NA NA +C02538 Estrone 3-sulfate C18H22O5S 350.1188 NA KEGG NA NA +HMDB01425 Estrone sulfate C18H22O5S 350.1188 http://www.hmdb.ca/metabolites/HMDB01425 PFEM_hmdb_metabocards_blood NA blood +HMDB01425 Estrone sulfate C18H22O5S 350.1188 HMDB01425 PFEM_hmdb_metabocards_official NA NA +HMDB01425 Estrone sulfate C18H22O5S 350.118805 NA HMDB2010 NA NA +MJ042398 4-(5-Ethyl-2-thienyl)-2-[2-(1H-imidazol-1-yl)ethyl]-1(2H)-phthalazinone C19H18N4OS 350.120131 NA MeJP NA NA +MJ042399 Holmioside; 5-Deoxy C14H22O10 350.121296 NA MeJP NA NA +MJ042400 4-[2-[[2-[(1H-Imidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl]morpholine C16H22N4OS2 350.123502 NA MeJP NA NA +PJ000459 SNM C12H22N4O6S 350.126 NA PeJP NA NA +MJ042401 Corydamine C20H18N2O4 350.126657 NA MeJP NA NA +MJ042402 Isaindigotone C20H18N2O4 350.126657 NA MeJP NA NA +MJ042403 Tryptophan, Na-(4-Hydroxycinnamoyl) C20H18N2O4 350.126657 NA MeJP NA NA +MJ042404 Isochromophilone III; 1,8a-Didehydro C19H23ClO4 350.128486 NA MeJP NA NA +MJ042405 Marmin, 7'-Deoxy, 7'-chloro C19H23ClO4 350.128486 NA MeJP NA NA +MJ042406 Sclerotiorin, O-De-Ac, 8R-alcohol C19H23ClO4 350.128486 NA MeJP NA NA +MJ042407 1,2-Bis(4-hydroxy-3-methoxyphenyl)-1,3-propanediol, 5''-Methoxy C18H22O7 350.136553 NA MeJP NA NA +MJ042408 3,6-Dimethyl-1,2,4-naphthalenetriol; 1-O-?-L-Rhamnopyranoside C18H22O7 350.136553 NA MeJP NA NA +MJ042409 Nagilactone D; Deepoxy, 1?,2?-dihydroxy C18H22O7 350.136553 NA MeJP NA NA +MJ042410 Nagilactone J C18H22O7 350.136553 NA MeJP NA NA +C09438 Fagaronine C21H20NO4 350.1392 NA KEGG NA NA +PJ000460 GSST C12H22N4O8 350.1438 NA PeJP NA NA +MJ042411 Anhydrohapaloxindole B; Dechloro C21H22N2OS 350.145284 NA MeJP NA NA +MJ042412 3,3',5-Trihydroxy-2-(4-hydroxybenzyl)bibenzyl; 3-Me ether C22H22O4 350.151809 NA MeJP NA NA +MJ042413 3,3',5-Trihydroxy-2-(4-hydroxybenzyl)bibenzyl; 5-Me ether C22H22O4 350.151809 NA MeJP NA NA +MJ042414 3,3',5-Trihydroxy-4-(4-hydroxybenzyl)bibenzyl; 3-Me ether C22H22O4 350.151809 NA MeJP NA NA +MJ042415 4-[[4-[[4-(Methoxymethyl)phenoxy]methyl]phenoxy]methyl]phenol C22H22O4 350.151809 NA MeJP NA NA +MJ042416 Cyclomicrophyllone C22H22O4 350.151809 NA MeJP NA NA +MJ042417 Ehretianone C22H22O4 350.151809 NA MeJP NA NA +MJ042418 Endiandric acid A; 3'',4''-Methylenedioxy C22H22O4 350.151809 NA MeJP NA NA +MJ042419 Gorgiagallylazulene C22H22O4 350.151809 NA MeJP NA NA +MJ042420 Microphyllone C22H22O4 350.151809 NA MeJP NA NA +MJ042421 Paralycolin A C22H22O4 350.151809 NA MeJP NA NA +MJ042422 Sibopirdine C23H18N4 350.153146 NA MeJP NA NA +MJ042423 2-Hydroxy-7(11)-eremophilen-12,8-olide, O-(3-Methylthio-2E-propenoyl) C19H26O4S 350.15518 NA MeJP NA NA +MJ042424 2-Hydroxy-7(11)-eremophilen-12,8-olide, O-(3-Methylthio-2Z-propenoyl) C19H26O4S 350.15518 NA MeJP NA NA +MJ042425 3,11-Dihydroxy-6,9-eremophiladien-8-one; 3?-form, 3-(3-Methylthio-2-propenoyl) (Z-) C19H26O4S 350.15518 NA MeJP NA NA +MJ042426 3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, 3-O-(3-Methylsulfinyl-2-propenoyl) (E-) C19H26O4S 350.15518 NA MeJP NA NA +MJ042427 3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, 3-[3-(Methylsulfinyl)-2-propenoyl] (Z-) C19H26O4S 350.15518 NA MeJP NA NA +MJ042428 3-Hydroxy-9,11-eremophiladien-8-one, O-(3-Methylsulfinyl-2Z-propenoyl) C19H26O4S 350.15518 NA MeJP NA NA +MJ042429 Cerberidol; 5?,9?-Epoxide, 3-O-?-D-allopyranoside C15H26O9 350.157682 NA MeJP NA NA +MJ042430 Cyclocerberidol; 3-O-Alloside C15H26O9 350.157682 NA MeJP NA NA +MJ042431 Eucommiol; 3-O-?-D-Glucopyranoside C15H26O9 350.157682 NA MeJP NA NA +MJ042432 Eucommiol; 6-O-?-D-Glucopyranoside C15H26O9 350.157682 NA MeJP NA NA +PJ000461 GQF C16H22N4O5 350.159 NA PeJP NA NA +MJ042433 Peratizole C17H26N4S2 350.159888 NA MeJP NA NA +PJ000462 TCK C13H26N4O5S 350.1624 NA PeJP NA NA +C01761 Vomilenine C21H22N2O3 350.163 NA KEGG NA NA +C11632 Polyneuridine aldehyde C21H22N2O3 350.163 NA KEGG NA NA +C11680 Cathenamine C21H22N2O3 350.163 NA KEGG NA NA +C11681 19-epi-Cathenamine C21H22N2O3 350.163 NA KEGG NA NA +MJ042434 1,2,5,6-Tetrahydro-1-[2-[[(diphenylmethylene)amino]oxy]ethyl]-3-pyridinecarboxylic acid C21H22N2O3 350.163042 NA MeJP NA NA +MJ042435 ?-Colubrine; O-De-Me C21H22N2O3 350.163042 NA MeJP NA NA +MJ042436 Cathenamine C21H22N2O3 350.163042 NA MeJP NA NA +MJ042437 Correantine B C21H22N2O3 350.163042 NA MeJP NA NA +MJ042438 Correantine C C21H22N2O3 350.163042 NA MeJP NA NA +MJ042439 Corynantheidinaline C21H22N2O3 350.163042 NA MeJP NA NA +MJ042440 Criocerine C21H22N2O3 350.163042 NA MeJP NA NA +MJ042441 Isostrychnine; Nb-Oxide C21H22N2O3 350.163042 NA MeJP NA NA +MJ042442 Kopsinine; 3-Oxo, 14,15-didehydro C21H22N2O3 350.163042 NA MeJP NA NA +MJ042443 Kopsinone C21H22N2O3 350.163042 NA MeJP NA NA +MJ042444 Nor-C-fluorocurarine, 18-Acetoxy C21H22N2O3 350.163042 NA MeJP NA NA +MJ042445 Perakine C21H22N2O3 350.163042 NA MeJP NA NA +MJ042446 Pericyclivine; 16-Epimer, 16-formyl C21H22N2O3 350.163042 NA MeJP NA NA +MJ042447 Polyneuridine aldehyde C21H22N2O3 350.163042 NA MeJP NA NA +MJ042448 Pseudostrychnine C21H22N2O3 350.163042 NA MeJP NA NA +MJ042449 Quebrachidine; 17-Ketone, 2-epimer C21H22N2O3 350.163042 NA MeJP NA NA +MJ042450 Rhazinaline C21H22N2O3 350.163042 NA MeJP NA NA +MJ042451 Scandine C21H22N2O3 350.163042 NA MeJP NA NA +MJ042452 Strychnine; 12-Hydroxy C21H22N2O3 350.163042 NA MeJP NA NA +MJ042453 Strychnine; 15-Hydroxy C21H22N2O3 350.163042 NA MeJP NA NA +MJ042454 Strychnine; Nb-Oxide C21H22N2O3 350.163042 NA MeJP NA NA +MJ042455 Strychnozairine C21H22N2O3 350.163042 NA MeJP NA NA +MJ042456 Tabersonine, 3-Oxo C21H22N2O3 350.163042 NA MeJP NA NA +MJ042457 Vallesiachotamine C21H22N2O3 350.163042 NA MeJP NA NA +MJ042458 Vomilenine C21H22N2O3 350.163042 NA MeJP NA NA +MJ042459 3,4,5,6-Tetradehydroyohimbinium C21H23N2O3(+) 350.163042 NA MeJP NA NA +MJ042460 Geissoschizine; N4,21-Dehydro C21H23N2O3(+) 350.163042 NA MeJP NA NA +MJ042461 Kopsinilamine C21H23N2O3(+) 350.163042 NA MeJP NA NA +MJ042462 Sitsirikine; 3,4,5,6-Tetradehydro C21H23N2O3(+) 350.163042 NA MeJP NA NA +MetaCyc03102 vomilenine [] C21H22N2O3 350.163043 6880-50-8 metacyc NA NA +MetaCyc03103 Polyneuridine aldehyde [] C21H22N2O3 350.163043 NA metacyc NA NA +C15407 9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione C20H27ClO3 350.1649 NA KEGG NA NA +3719 NA WWPRG 350.166 MH2+ Inhouse_peptide NA peptide +MJ042463 Delequamine C18H26N2O3S 350.166413 NA MeJP NA NA +C09290 Alatolide C19H26O6 350.1729 NA KEGG NA NA +C09297 Arctiopicrin C19H26O6 350.1729 NA KEGG NA NA +MJ042464 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042465 1,10-Epoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042466 1,10-Epoxy-8,9-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042467 1,3,8-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042468 1,3,8-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042469 1,3-Dihydroxy-4-eudesmen-12,6-olide, Di-Ac C19H26O6 350.172938 NA MeJP NA NA +MJ042470 1,4,14-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ketone, 14-(2-methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042471 1,4,15-Trihydroxy-11(13)-eudesmen-12,6-olide, 15-(2-Methylpropenoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042472 1,4,15-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ketone, 15-(2-methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042473 1,4-Cyclo-7,10-epoxy-5,8-dihydroxy-11-germacren-12,6-olide, 8-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042474 1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042475 1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 14-(2-Methylpropenoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042476 1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 6-(2-Methylpropenoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042477 1,6-Dihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide, Di-Ac C19H26O6 350.172938 NA MeJP NA NA +MJ042478 1,8,10-Trihydroxy-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042479 1,8-Dihydroxy-3-oxo-11(13)-eudesmen-12,6-olide, 8-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042480 1-Hydroxy-12-oxo-2,6,10-farnesatrien-14,5-olide; 12-Alcohol, Di-Ac C19H26O6 350.172938 NA MeJP NA NA +MJ042481 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(2-Hydroxy-2-methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042482 15,16-Epoxy-2,3,19-trihydroxy-18-nor-8(17),13(16),14-labdatrien-12-one, 7-Oxo, 8?,14-dihydro C19H26O6 350.172938 NA MeJP NA NA +MJ042483 15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 2,3-Dihydroxy-2-methylpropanoyl C19H26O6 350.172938 NA MeJP NA NA +MJ042484 2,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 2,4-Di-Ac C19H26O6 350.172938 NA MeJP NA NA +MJ042485 3,15-Scirpenediol; 3?-form, 3,15-Di-Ac C19H26O6 350.172938 NA MeJP NA NA +MJ042486 3,4,8-Scirpenetriol, 4-O-(2Z-Butenoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042487 3,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 3,4-Di-Ac C19H26O6 350.172938 NA MeJP NA NA +MJ042488 3,6,8-Trihydroxy-1(10),7(11)-eremophiladien-12,8-olide, 6-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042489 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, di-Ac C19H26O6 350.172938 NA MeJP NA NA +MJ042490 3,8-Dihydroxy-1(10),4-germacradien-12,6-olide, Di-Ac C19H26O6 350.172938 NA MeJP NA NA +MJ042491 3,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-dihydro, di-Ac C19H26O6 350.172938 NA MeJP NA NA +MJ042492 4,15-Dihydroxy-11(13)-pseudoguaien-12,6-olide, Di-Ac C19H26O6 350.172938 NA MeJP NA NA +MJ042493 4,15-Scirpenediol, Di-Ac C19H26O6 350.172938 NA MeJP NA NA +MJ042494 4,5-Epoxy-6,9-dihydroxy-4,11(13)-germacradien-12,8-olide, 9-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042495 4,5-Epoxy-7,8-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042496 4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 9-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042497 6,9,15-Trihydroxy-1,3,11(13)-elematrien-12,8-olide, 9-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042498 6,9-Dihydroxy-15-oxo-1,3-elemadien-12,8-olide, 6-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042499 7,10-Epoxy-4,8-dihydroxy-11-guaien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042500 7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042501 7,8:8,12:11,12-Triepoxy-1(10)-eremophilene-3,6-diol, 6-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042502 8,10-Dihydroxy-3-oxo-1,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042503 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042504 8,14,15-Trihydroxy-4-germacren-12,6-olide, 8-(2-Methylpropenoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042505 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Hydroxy-2-methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042506 8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042507 8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(3-Hydroxy-2-methylenepropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042508 8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042509 9,10-Epoxy-p-mentha-1,3,5-triene-2,5,8-triol; 2-Me ether, 5,8-bis(2-methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042510 9,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-O-(2-Methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042511 Ambuic acid C19H26O6 350.172938 NA MeJP NA NA +MJ042512 Epoxyconiferyl alcohol; 1-O-(2-Methylbutanoyl), 4'-O-(2-methylpropanoyl) C19H26O6 350.172938 NA MeJP NA NA +MJ042513 Eremantholide C; 4?,5,17,18-Tetrahydro C19H26O6 350.172938 NA MeJP NA NA +MJ042514 Eurycomalactone; 3,4?-Dihydro C19H26O6 350.172938 NA MeJP NA NA +MJ042515 Eurycomalactone; 7?-Alcohol C19H26O6 350.172938 NA MeJP NA NA +MJ042516 Fukinolidiol; Di-Ac C19H26O6 350.172938 NA MeJP NA NA +MJ042517 Gibberellin A10; 3?-Hydroxy C19H26O6 350.172938 NA MeJP NA NA +MJ042518 Gibberellin A4; 16,17-Dihydro, 17-hydroxy C19H26O6 350.172938 NA MeJP NA NA +MJ042519 Gibberellin A82 C19H26O6 350.172938 NA MeJP NA NA +MJ042520 Ligulaverin E C19H26O6 350.172938 NA MeJP NA NA +MJ042521 Longilactone; 6-Deoxy C19H26O6 350.172938 NA MeJP NA NA +MJ042522 Melicopol C19H26O6 350.172938 NA MeJP NA NA +MJ042523 Ovalifolienal; 9,10-Dihydro C19H26O6 350.172938 NA MeJP NA NA +MJ042524 Plagiochiline I; Ac C19H26O6 350.172938 NA MeJP NA NA +MJ042525 Salvicanaric acid; 2?-Hydroxy C19H26O6 350.172938 NA MeJP NA NA +MJ042526 5-[[2-(Diethylamino)ethyl]amino]-8-hydroxy-6H-imidazo[4,5,1-de]acridin-6-one C20H22N4O2 350.174275 NA MeJP NA NA +MJ042527 Phenylahistin C20H22N4O2 350.174275 NA MeJP NA NA +MJ042528 Romergoline C20H22N4O2 350.174275 NA MeJP NA NA +MJ042529 Virantmycin; Amide C19H27ClN2O2 350.176105 NA MeJP NA NA +3377 ACE inhibitor (from bovine as1-CN) FGK 350.183 celiac toxic Inhouse_peptide NA peptide +MJ042530 Disofenin C18H26N2O5 350.184171 NA MeJP NA NA +MJ042531 1,17-Diisothiocyanato-1,16-heptadecadiene C19H30N2S2 350.18504 NA MeJP NA NA +MJ042532 5-Hydroxy-2-(8-phenyloctyl)-4H-1-benzopyran-4-one C23H26O3 350.188194 NA MeJP NA NA +MJ042533 6-(1,3,5,7,9,11,15-Heptadecaheptaenyl)-4-methoxy-2H-pyran-2-one C23H26O3 350.188194 NA MeJP NA NA +MJ042534 Phenothrin C23H26O3 350.188194 NA MeJP NA NA +C14387 Phenothrin C23H26O3 350.1882 NA KEGG NA NA +MJ042535 2,6-Dimethyl-7-octene-2,3,6-triol, 2-O-?-D-Glucopyranoside C16H30O8 350.194067 NA MeJP NA NA +MJ042536 2,6-Dimethyl-7-octene-2,3,6-triol, 6-O-?-D-Glucopyranoside C16H30O8 350.194067 NA MeJP NA NA +MJ042537 2,6-Dimethyl-7-octene-2,3,6-triol; 3-O-?-D-Glucopyranoside C16H30O8 350.194067 NA MeJP NA NA +MJ042538 2,6-Dimethyl-7-octene-2,3,6-triol; 6-O-?-D-Glucopyranoside C16H30O8 350.194067 NA MeJP NA NA +MJ042539 p-Menthane-1,7,8-triol, 8-O-?-D-Glucopyranoside C16H30O8 350.194067 NA MeJP NA NA +PJ000463 GKF C17H26N4O4 350.1954 NA PeJP NA NA +MJ042540 Indocate C22H26N2O2 350.199428 NA MeJP NA NA +MJ042541 Sciodole C22H26N2O2 350.199428 NA MeJP NA NA +MJ042542 Vinpocetine C22H26N2O2 350.199428 NA MeJP NA NA +MJ042543 Carperone C19H27FN2O3 350.20057 NA MeJP NA NA +C15152 4,4-Difluoropregn-5-ene-3,20-dione C21H28F2O2 350.2057 NA KEGG NA NA +EUR173 ProstaglandinD3(PGD3) C20H30O5 350.2093 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR177 ProstaglandinE3(PGE3) C20H30O5 350.2093 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR173 ProstaglandinD3(PGD3) C20H30O5 350.2093 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR177 ProstaglandinE3(PGE3) C20H30O5 350.2093 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR173 ProstaglandinD3(PGD3) C20H30O5 350.2093 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR177 ProstaglandinE3(PGE3) C20H30O5 350.2093 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR173 ProstaglandinD3(PGD3) C20H30O5 350.2093 Wishlist Inhousejuil11 NA NA +EUR177 ProstaglandinE3(PGE3) C20H30O5 350.2093 Wishlist Inhousejuil11 NA NA +C04707 (5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate C20H30O5 350.2093 NA KEGG NA NA +C04708 1-(beta-D-Galactosyl)-2-(2-hydroxyacyl)sphingosine C26H48NO9R 350.2093 NA KEGG NA NA +C04758 (5Z,13E)-9alpha-Hydroxy-11,15-dioxoprosta-5,13-dienoate C20H30O5 350.2093 NA KEGG NA NA +C04759 1,2-D-Glucosyl-5-D-(galactosyloxy)-L-lysine-procollagen C19H33N3O13R2 350.2093 NA KEGG NA NA +C04835 (5Z,13E)-6,9alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoate C20H30O5 350.2093 NA KEGG NA NA +C06439 Prostaglandin E3 C20H30O5 350.2093 NA KEGG NA NA +C13802 Prostaglandin D3 C20H30O5 350.2093 NA KEGG NA NA +C18171 Resolvin E1 C20H30O5 350.2093 NA KEGG NA NA +C18176 5S-Hydroperoxy-18R-HEPE C20H30O5 350.2093 NA KEGG NA NA +HMDB02341 8-iso-15-keto-PGE2 C20H30O5 350.20932 http://www.hmdb.ca/metabolites/HMDB02341 HMDB NA NA +HMDB02664 Prostaglandin E3 C20H30O5 350.20932 http://www.hmdb.ca/metabolites/HMDB02664 HMDB NA NA +HMDB03034 Prostaglandin D3 C20H30O5 350.20932 http://www.hmdb.ca/metabolites/HMDB03034 HMDB NA NA +HMDB03175 15-keto-Prostaglandin E2 C20H30O5 350.20932 http://www.hmdb.ca/metabolites/HMDB03175 HMDB NA NA +HMDB02341 8-iso-15-keto-PGE2 C20H30O5 350.20932 HMDB02341 PFEM_hmdb_metabocards_official NA NA +HMDB02664 Prostaglandin E3 C20H30O5 350.20932 HMDB02664 PFEM_hmdb_metabocards_official NA NA +HMDB03034 Prostaglandin D3 C20H30O5 350.20932 HMDB03034 PFEM_hmdb_metabocards_official NA NA +HMDB03175 15-keto-Prostaglandin E2 C20H30O5 350.20932 HMDB03175 PFEM_hmdb_metabocards_official NA NA +HMDB02341 8-iso-15-keto-PGE2 C20H30O5 350.20932 NA HMDB2010 NA NA +HMDB02664 Prostaglandin E3 C20H30O5 350.20932 NA HMDB2010 NA NA +HMDB03034 Prostaglandin D3 C20H30O5 350.20932 NA HMDB2010 NA NA +HMDB03175 15-Keto-prostaglandin E2 C20H30O5 350.20932 NA HMDB2010 NA NA +HMDB10410 Resolvin E1 C20H30O5 350.20932 NA HMDB2010 NA NA +MJ042544 1,2,7,14-Tetrahydroxy-16-kauren-15-one C20H30O5 350.209324 NA MeJP NA NA +MJ042545 1,2-Dihydroxy-13-oxo-6,10,14-phytatrien-20,1-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042546 1,4-Dihydroxy-11(13)-eudesmen-12,8-olide, 1-(2-Methylbutanoyl) C20H30O5 350.209324 NA MeJP NA NA +MJ042547 1,7,11,14-Tetrahydroxy-16-kauren-15-one C20H30O5 350.209324 NA MeJP NA NA +MJ042548 1,7,12,14-Tetrahydroxy-16-kauren-15-one C20H30O5 350.209324 NA MeJP NA NA +MJ042549 1,7,14,20-Tetrahydroxy-16-kauren-15-one C20H30O5 350.209324 NA MeJP NA NA +MJ042550 1,8,12-Trihydroxy-2,6,10,14-phytatetraen-18,13-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042551 1,9,15-Trihydroxy-16-kauren-19-oic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042552 1-(3,4,5-Trihydroxyphenyl)ethanol, 3',5'-Di-Me ether, 4'-O-(3-methyl-2-butenyl), 1-O-(3-methylbutanoyl) C20H30O5 350.209324 NA MeJP NA NA +MJ042553 1-Hydroxy-2,6-humuladien-15-al; 15-Carboxylic acid, 6?,10?-epoxide, angeloyl C20H30O5 350.209324 NA MeJP NA NA +MJ042554 10(20)-Leucothene-3,5,6,14,16-pentol, 5-Ketone C20H30O5 350.209324 NA MeJP NA NA +MJ042555 11,12,15-Trihydroxy-16-kauren-19-oic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042556 11,14:12,13-Diepoxy-3-cyathene-1,14,15-triol C20H30O5 350.209324 NA MeJP NA NA +MJ042557 11,15-Dihydroxy-9-oxo-5,13,17-prostatrienoic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042558 11,15-Dihydroxy-9-oxo-5-prosten-13-ynoic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042559 11,16-Epoxy-15,17-dihydroxy-19-kauranoic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042560 11,16-Epoxy-9,15-dihydroxy-19-kauranoic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042561 12,15-Dihydroxy-8(17),13-labdadien-19-oic acid, 15-Carboxylic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042562 13(16),14-Spongiadiene-2,3,17,19-tetrol C20H30O5 350.209324 NA MeJP NA NA +MJ042563 13,19-Dihydroxy-1,3,7-cembratriene-9,14-dione, 3?,4?-Epoxide C20H30O5 350.209324 NA MeJP NA NA +MJ042564 15,16,17,19-Tetrahydroxy-3,13-clerodadien-18-oic acid, 18?19 Lactone C20H30O5 350.209324 NA MeJP NA NA +MJ042565 15,16-Epoxy-6,12,19-trihydroxy-13(16),14-clerodadien-18-al C20H30O5 350.209324 NA MeJP NA NA +MJ042566 15,16-Epoxy-6,9,19-trihydroxy-13(16),14-labdadien-7-one C20H30O5 350.209324 NA MeJP NA NA +MJ042567 15,16:18,19-Diepoxy-13(16),14-clerodadiene-6,12,18-triol C20H30O5 350.209324 NA MeJP NA NA +MJ042568 15,17-Epoxy-7,17-dihydroxy-16-spongianone C20H30O5 350.209324 NA MeJP NA NA +MJ042569 16,17,18-Trihydroxy-2,6,10,14-phytatetraen-1,20-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042570 16,18-Dihydroxy-3,13-clerodadien-15-oic acid, 18-Aldehyde C20H30O5 350.209324 NA MeJP NA NA +MJ042571 16-Hydroxy-2,3-seco-13-atisene-2,3-dioic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042572 16-Hydroxy-2,6,10,14-phytatetraene-1,19-dioic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042573 17,18,19-Trihydroxy-13-labden-16,15-olide, 17-Aldehyde C20H30O5 350.209324 NA MeJP NA NA +MJ042574 18-Hydroxy-3,4-seco-15-beyeradiene-3,17-dioic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042575 18-Oxo-2,6,10,14-phytatetraene-1,16-dioic acid, 2,3S-Dihydro C20H30O5 350.209324 NA MeJP NA NA +MJ042576 2,4-Dihydroxy-1(5)-guaien-12,8-olide, 1-(2-Methylbutanoyl) C20H30O5 350.209324 NA MeJP NA NA +MJ042577 2,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 2-O-(3-Methylbutanoyl) C20H30O5 350.209324 NA MeJP NA NA +MJ042578 2,6,10,14-Phytatetraene-1,18,19-triol, 18,19-Dicarboxylic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042579 2,6,19-Trihydroxy-8,13-labdadien-15,16-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042580 2,6-Dihydroxy-8,13-labdadien-15,16-olide, 17-Hydroxy C20H30O5 350.209324 NA MeJP NA NA +MJ042581 2-Hydroxy-3-cleroden-18,19-olid-15-oic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042582 3,11,19-Trihydroxy-8(17),13-labdadien-16,15-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042583 3,12,19-Trihydroxy-8(17),13-labdadien-16,15-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042584 3,13-Epoxy-4,8-dihydroxy-6,15(17)-cembradien-16,14-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042585 3,14,19-Trihydroxy-8(17),12-labdadien-16,15-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042586 3,15-Dihydroxy-14-oxo-8(17),13(16)-labdadien-19-oic acid; 3?-form C20H30O5 350.209324 NA MeJP NA NA +MJ042587 3,4,11-Trihydroxy-6-eudesmen-8-one, 3-Angeloyl C20H30O5 350.209324 NA MeJP NA NA +MJ042588 3,4,11-Trihydroxy-6-eudesmen-8-one, 3-(3-Methyl-2-butenoyl) C20H30O5 350.209324 NA MeJP NA NA +MJ042589 3,4,11-Trihydroxy-6-eudesmen-8-one, 3-Angeloyl C20H30O5 350.209324 NA MeJP NA NA +MJ042590 3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 10'S-Hydroxy C20H30O5 350.209324 NA MeJP NA NA +MJ042591 3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 6'S-Hydroxy C20H30O5 350.209324 NA MeJP NA NA +MJ042592 3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 9'S-Hydroxy C20H30O5 350.209324 NA MeJP NA NA +MJ042593 3,4-Dihydroxy-7(11)-eudesmen-8-one, 7?,11-Epoxide, 3-angeloyl C20H30O5 350.209324 NA MeJP NA NA +MJ042594 3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(2,3-Epoxy-2-methylbutanoyl) C20H30O5 350.209324 NA MeJP NA NA +MJ042595 3,4-Dihydroxy-7(11)-eudesmen-8-one, 7?,11-Epoxide, 3-angeloyl C20H30O5 350.209324 NA MeJP NA NA +MJ042596 3,4-Epoxy-11-hydroxy-7,15(17)-cembradien-16,12-olide, 6?-Hydroxy C20H30O5 350.209324 NA MeJP NA NA +MJ042597 3,4-Epoxy-13-hydroxy-7,15(17)-cembradien-16,14-olide, 7S,8R-Epoxide C20H30O5 350.209324 NA MeJP NA NA +MJ042598 3,4-Epoxy-7,13-dihydroxy-8(19),15(17)-cembradien-16,14-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042599 3,4-Epoxy-8,13-dihydroxy-6,15(17)-cembradien-16,14-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042600 3,5,6-Trihydroxy-13(17),15-cleistanthadien-19-oic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042601 3,7,12,14-Tetrahydroxy-16-kauren-15-one C20H30O5 350.209324 NA MeJP NA NA +MJ042602 3,7,14,18-Tetrahydroxy-16-kauren-15-one C20H30O5 350.209324 NA MeJP NA NA +MJ042603 3,7,14,20-Tetrahydroxy-16-kauren-15-one C20H30O5 350.209324 NA MeJP NA NA +MJ042604 3,9,15-Trihydroxy-16-kauren-19-oic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042605 3-Clerodene-15,18,19-triol, 15,19-Dicarboxylic acid, 18-aldehyde C20H30O5 350.209324 NA MeJP NA NA +MJ042606 4,18-Epoxy-2,6-dihydroxy-13-cleroden-15,16-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042607 4,18-Epoxy-6,19-dihydroxy-13-cleroden-16,15-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042608 4,18:15,16-Diepoxy-13(16),14-clerodadiene-6,12,19-triol C20H30O5 350.209324 NA MeJP NA NA +MJ042609 4,19:15,16-Diepoxy-13(16),14-clerodadiene-6,12,18-triol C20H30O5 350.209324 NA MeJP NA NA +MJ042610 4,5-Epoxy-2-hydroxy-11(13)-guaien-12,8-olide, 11?,13-Dihydro, O-(2-methylbutanoyl)(S-) C20H30O5 350.209324 NA MeJP NA NA +MJ042611 4,7-Epoxy-2,3-dihydroxy-1(15),11-cembradien-16,14-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042612 4,7-Epoxy-3,13-dihydroxy-8(19),15(17)-cembradien-16,14-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042613 4-Hydroxy-2-cleroden-18,19-olid-15-oic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042614 5,10,14-Trihydroxy-8-daucen-2-one, 10-Angeloyl C20H30O5 350.209324 NA MeJP NA NA +MJ042615 5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid, 20-Oxo C20H30O5 350.209324 NA MeJP NA NA +MJ042616 5,14,15-Trihydroxy-6,8,10,12,17-eicosapentaenoic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042617 5,6,15-Trihydroxy-7,9,11,13,17-eicosapentaenoic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042618 6,13-Dihydroxy-7-oxo-8-labden-15,16-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042619 6,15-Dihydroxy-7-labden-17-oic acid, 6-Ketone, 15-carboxylic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042620 6,16-Dihydroxy-17-oxo-7,13-labdadien-15-oic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042621 6,18,19-Trihydroxy-3,13-clerodadien-15,16-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042622 6,7,12-Trihydroxy-16-kauren-19-oic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042623 6,7,16,18-Tetrahydroxy-19-kauranoic acid, 19?6 Lactone C20H30O5 350.209324 NA MeJP NA NA +MJ042624 7,11,12,14,18-Pentahydroxy-16-kauren-15-one, 11-Deoxy C20H30O5 350.209324 NA MeJP NA NA +MJ042625 7,11,12,14,18-Pentahydroxy-16-kauren-15-one, 12-Deoxy C20H30O5 350.209324 NA MeJP NA NA +MJ042626 7,11,12,14-Tetrahydroxy-16-kauren-15-one C20H30O5 350.209324 NA MeJP NA NA +MJ042627 7,11,14,20-Tetrahydroxy-16-kauren-15-one C20H30O5 350.209324 NA MeJP NA NA +MJ042628 7,15,16,19-Tetrahydroxy-3,13-clerodadien-18-oic acid, 18?19 Lactone C20H30O5 350.209324 NA MeJP NA NA +MJ042629 7,15,16-Trihydroxy-19,20-atisanolide C20H30O5 350.209324 NA MeJP NA NA +MJ042630 7,15-Dihydroxy-3-cleroden-18,19-olide, 15-Carboxylic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042631 7,18,19-Trihydroxy-3,13-clerodadien-16,15-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042632 7,20-Epoxy-16-kaurene-1,6,7,15-tetrol C20H30O5 350.209324 NA MeJP NA NA +MJ042633 7,20-Epoxy-16-kaurene-1,7,11,15-tetrol C20H30O5 350.209324 NA MeJP NA NA +MJ042634 7,8,14-Trihydroxy-15-isopimaren-18-oic acid, 7-Ketone C20H30O5 350.209324 NA MeJP NA NA +MJ042635 7,8,16,18-Tetrahydroxy-19-serrulatanoic acid; 18-Deoxy C20H30O5 350.209324 NA MeJP NA NA +MJ042636 7,9,15-Trihydroxy-16-kauren-19-oic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042637 8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 8-(2-methylbutanoyl) C20H30O5 350.209324 NA MeJP NA NA +MJ042638 8,11,14-Trihydroxy-13(15)-abieten-16,12-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042639 8,12-Epidioxy-15-hydroxy-13-abieten-18-oic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042640 8,12-Epoxy-16,17-dihydroxy-13-labden-15,16-olide C20H30O5 350.209324 NA MeJP NA NA +MJ042641 8,12:13,17-Diepoxy-16-hydroxy-15,16-labdanolide C20H30O5 350.209324 NA MeJP NA NA +MJ042642 8,13-Epoxy-2,3-seco-14-labden-3,1-olid-2-oic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042643 8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(3-Methylbutanoyl) C20H30O5 350.209324 NA MeJP NA NA +MJ042644 8,15-Dihydroxy-1,3-elemadien-12,6-olide, 8-(3-Methylbutanoyl) C20H30O5 350.209324 NA MeJP NA NA +MJ042645 9,13-Epidioxy-7-hydroxy-8(14)-abieten-18-oic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042646 9,13-Epidioxy-8(14)-abieten-18-oic acid, 3?-Hydroxy C20H30O5 350.209324 NA MeJP NA NA +MJ042647 9,13-Epidioxy-8(14)-abieten-18-oic acid, 4-Epimer, 15-hydroxy C20H30O5 350.209324 NA MeJP NA NA +MJ042648 9,13-Epoxy-17-hydroxy-7-labden-15-oic acid, 17-Carboxylic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042649 9,13-Epoxy-18-hydroxy-6-oxo-7-labden-15-oic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042650 9,13-Epoxy-18-hydroxy-7-labden-15-oic acid, 18-Carboxylic acid C20H30O5 350.209324 NA MeJP NA NA +MJ042651 9,13-Epoxy-4-hydroxy-18-nor-7-labden-15-oic acid, 4-Formyl C20H30O5 350.209324 NA MeJP NA NA +MJ042652 9,13:15,16-Diepoxy-6,15-dihydroxy-7-labdanone, 15-Ketone (lactone) C20H30O5 350.209324 NA MeJP NA NA +MJ042653 9,13:15,16-Diepoxy-6,19-dihydroxy-14-labden-12-one C20H30O5 350.209324 NA MeJP NA NA +MJ042654 9,13:15,16-Diepoxy-7,15-dihydroxy-6-labdanone, 15-Ketone (lactone) C20H30O5 350.209324 NA MeJP NA NA +MJ042655 9,13:15,16-Diepoxy-8,15-dihydroxy-7-labdanone, 15-Ketone (lactone) C20H30O5 350.209324 NA MeJP NA NA +MJ042656 Aplytangene 2 C20H30O5 350.209324 NA MeJP NA NA +MJ042657 Coronarin B; 7?-Hydroxy C20H30O5 350.209324 NA MeJP NA NA +MJ042658 Floridicin B C20H30O5 350.209324 NA MeJP NA NA +MJ042659 Florlide A C20H30O5 350.209324 NA MeJP NA NA +MJ042660 Fukinolidiol; 1-(3-Methylbutanoyl) C20H30O5 350.209324 NA MeJP NA NA +MJ042661 Hymenoxon; 3-Deoxy, 8-epimer, 4-(2-methylbutanoyl) C20H30O5 350.209324 NA MeJP NA NA +MJ042662 Ichthyouleolide; 14,15-Dihydro, 13,14-didehydro, 15-hydroperoxy C20H30O5 350.209324 NA MeJP NA NA +MJ042663 Ichthyouleolide; 14,15-Dihydro, 15,17-didehydro, 14-hydroperoxy C20H30O5 350.209324 NA MeJP NA NA +MJ042664 Kromycin C20H30O5 350.209324 NA MeJP NA NA +MJ042665 Oryzalic acid A C20H30O5 350.209324 NA MeJP NA NA +MJ042666 Oryzalic acid B C20H30O5 350.209324 NA MeJP NA NA +MJ042667 Portulene; ?4-Isomer, 3-oxo C20H30O5 350.209324 NA MeJP NA NA +MJ042668 Prostaglandin D3 C20H30O5 350.209324 NA MeJP NA NA +MJ042669 Prostaglandin H3 C20H30O5 350.209324 NA MeJP NA NA +MJ042670 Prostaglandin I3 C20H30O5 350.209324 NA MeJP NA NA +MJ042671 Thromboxane A3 C20H30O5 350.209324 NA MeJP NA NA +MetaCyc03104 (5Z,13E)-9-α-hydroxy-11,15-dioxoprosta-5,13-dienoate [] C20H30O5 350.209324 NA metacyc NA NA +MetaCyc03105 (5Z,13E)-6,9-α-epoxy-11-α-hydroxy-15-oxoprosta-5,13-dienoate [] C20H30O5 350.209324 NA metacyc NA NA +MetaCyc03106 (5Z,13E)-11-α-hydroxy-9,15-dioxoprost-13-enoate [] C20H30O5 350.209324 NA metacyc NA NA +EUR173 ProstaglandinD3(PGD3) C20H30O5 350.209325 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR177 ProstaglandinE3(PGE3) C20H30O5 350.209325 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR173 ProstaglandinD3(PGD3) C20H30O5 350.209325 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR177 ProstaglandinE3(PGE3) C20H30O5 350.209325 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR173 ProstaglandinD3(PGD3) C20H30O5 350.209325 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR177 ProstaglandinE3(PGE3) C20H30O5 350.209325 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR173 ProstaglandinD3(PGD3) C20H30O5 350.209325 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR177 ProstaglandinE3(PGE3) C20H30O5 350.209325 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR173 ProstaglandinD3(PGD3) C20H30O5 350.209325 Wishlist HMDB NA NA +EUR177 ProstaglandinE3(PGE3) C20H30O5 350.209325 Wishlist HMDB NA NA +EUR173 ProstaglandinD3(PGD3) C20H30O5 350.209325 Wishlist Inhouse_PFEM NA NA +EUR177 ProstaglandinE3(PGE3) C20H30O5 350.209325 Wishlist Inhouse_PFEM NA NA +EUR173 ProstaglandinD3(PGD3) C20H30O5 350.209325 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR177 ProstaglandinE3(PGE3) C20H30O5 350.209325 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR173 ProstaglandinD3(PGD3) C20H30O5 350.209325 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR177 ProstaglandinE3(PGE3) C20H30O5 350.209325 Wishlist PFEM_hmdb_metabocards_official NA NA +MJ042672 4-Geranyl-5-(2-phenylethyl)-1,3-benzenediol C24H30O2 350.22458 NA MeJP NA NA +MJ042673 8-Hydroxybicyclogermacrene; 8?-form, E-Cinnamoyl C24H30O2 350.22458 NA MeJP NA NA +MJ042674 Cryptocaryic acid C24H30O2 350.22458 NA MeJP NA NA +MJ042675 Dihydroamorphastilbol C24H30O2 350.22458 NA MeJP NA NA +MJ042676 Doretinel C24H30O2 350.22458 NA MeJP NA NA +C14889 5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate C21H31FO3 350.2257 NA KEGG NA NA +C15071 6beta-Fluoro-5alpha-hydroxypregnane-3,20-dione C21H31FO3 350.2257 NA KEGG NA NA +C15113 9-Fluoro-11beta,17beta-dihydroxy-2,17-dimethylandrost-4-en-3-one C21H31FO3 350.2257 NA KEGG NA NA +C15166 5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate C21H31FO3 350.2257 NA KEGG NA NA +MJ042677 ?-Methylfentanyl C23H30N2O 350.235813 NA MeJP NA NA +MJ042678 Mefentanyl C23H30N2O 350.235813 NA MeJP NA NA +HMDB00268 Tetrahydrocorticosterone C21H34O4 350.245697 NA HMDB2010 NA NA +HMDB00449 5a-Tetrahydrocorticosterone C21H34O4 350.245697 NA HMDB2010 NA NA +HMDB05972 Tetrahydrodeoxycortisol C21H34O4 350.245697 NA HMDB2010 NA NA +HMDB11541 MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0) C21H34O4 350.245697 NA HMDB2010 NA NA +HMDB11571 MG(18:4(6Z,9Z,12Z,15Z)/0:0/0:0) C21H34O4 350.245697 NA HMDB2010 NA NA +HMDB05972 Tetrahydrodeoxycortisol C21H34O4 350.2457 http://www.hmdb.ca/metabolites/HMDB05972 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00268 Tetrahydrocorticosterone C21H34O4 350.2457 http://www.hmdb.ca/metabolites/HMDB00268 HMDB NA NA +HMDB00449 5a-Tetrahydrocorticosterone C21H34O4 350.2457 http://www.hmdb.ca/metabolites/HMDB00449 HMDB NA NA +HMDB05972 Tetrahydrodeoxycortisol C21H34O4 350.2457 http://www.hmdb.ca/metabolites/HMDB05972 HMDB NA NA +C05476 Tetrahydrocorticosterone C21H34O4 350.2457 NA KEGG NA NA +C05483 3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one C21H34O4 350.2457 NA KEGG NA NA +C14594 3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one C21H34O4 350.2457 NA KEGG NA NA +C15368 5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one C21H34O4 350.2457 NA KEGG NA NA +C15403 3alpha,11beta,17alpha-Trihydroxy-5beta-pregnan-20-one C21H34O4 350.2457 NA KEGG NA NA +C17496 (10)-Gingerol C21H34O4 350.2457 NA KEGG NA NA +HMDB05972 Tetrahydrodeoxycortisol C21H34O4 350.2457 http://www.hmdb.ca/metabolites/HMDB05972 PFEM_hmdb_metabocards_blood NA blood +HMDB00268 Tetrahydrocorticosterone C21H34O4 350.2457 HMDB00268 PFEM_hmdb_metabocards_official NA NA +HMDB00449 5a-Tetrahydrocorticosterone C21H34O4 350.2457 HMDB00449 PFEM_hmdb_metabocards_official NA NA +HMDB05972 Tetrahydrodeoxycortisol C21H34O4 350.2457 HMDB05972 PFEM_hmdb_metabocards_official NA NA +MJ042679 1,10(14)-Fusicoccadiene-3,8,12,16-tetrol, 16-Me ether C21H34O4 350.245709 NA MeJP NA NA +MJ042680 1,19-Dihydroxy-14-methyl-2,6,10,13-phytatetraen-12-one, 6?,7?-Epoxide C21H34O4 350.245709 NA MeJP NA NA +MJ042681 1,19-Dihydroxy-14-methyl-2,6,10,13-phytatetraen-12-one, ?14(21)-Isomer, 6?,7?-epoxide C21H34O4 350.245709 NA MeJP NA NA +MJ042682 1,3,20-Trihydroxypregnan-11-one C21H34O4 350.245709 NA MeJP NA NA +MJ042683 15,16-Dihydroxy-8(17),13-labdadien-19-oic acid, Me ester C21H34O4 350.245709 NA MeJP NA NA +MJ042684 15,16-Epoxy-15-hydroxy-8(17)-labden-18-oic acid, Me ether C21H34O4 350.245709 NA MeJP NA NA +MJ042685 18,19-Epoxy-18-hydroxy-3-cleroden-15-oic acid, Me ether C21H34O4 350.245709 NA MeJP NA NA +MJ042686 2,3,4-Trihydroxypregnan-16-one C21H34O4 350.245709 NA MeJP NA NA +MJ042687 2,3-Dihydroxy-8(17),13-labdadien-15-oic acid, Me ester C21H34O4 350.245709 NA MeJP NA NA +MJ042688 2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone C21H34O4 350.245709 NA MeJP NA NA +MJ042689 3,11,21-Trihydroxypregnan-20-one C21H34O4 350.245709 NA MeJP NA NA +MJ042690 3,17,20-Trihydroxypregnan-1-one C21H34O4 350.245709 NA MeJP NA NA +MJ042691 3,17,20-Trihydroxypregnan-11-one C21H34O4 350.245709 NA MeJP NA NA +MJ042692 3,17,21-Trihydroxypregnan-20-one C21H34O4 350.245709 NA MeJP NA NA +MJ042693 3,20,21-Trihydroxypregnan-11-one C21H34O4 350.245709 NA MeJP NA NA +MJ042694 3,4-Dihydroxy-13-cleroden-15,16-olide, 3-Me ether C21H34O4 350.245709 NA MeJP NA NA +MJ042695 3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(3-Methylpentanoyl) C21H34O4 350.245709 NA MeJP NA NA +MJ042696 3,7,15-Trihydroxypregnan-20-one C21H34O4 350.245709 NA MeJP NA NA +MJ042697 3,8,14-Trihydroxypregnan-20-one C21H34O4 350.245709 NA MeJP NA NA +MJ042698 3-(15-Hydroxyhexadecyl)-4-methyl-2,5-furandione, 15'-Ketone C21H34O4 350.245709 NA MeJP NA NA +MJ042699 3-Clerodene-15,18-diol, 15,18-Dicarboxylic acid, 18-Me ester C21H34O4 350.245709 NA MeJP NA NA +MJ042700 3-Hydroperoxy-4(18),13-clerodadien-15-oic acid; Me ester C21H34O4 350.245709 NA MeJP NA NA +MJ042701 5-Tridecyl-1,3-benzenediol; 2'R-Acetoxy C21H34O4 350.245709 NA MeJP NA NA +MJ042702 6,18-Dihydroxy-3,13-clerodadien-15-oic acid, Me ester C21H34O4 350.245709 NA MeJP NA NA +MJ042703 7-[5-(3-Hydroxy-1-octenyl)-2-oxabicyclo[2.2.1]hept-6-yl]-5-heptenoic acid C21H34O4 350.245709 NA MeJP NA NA +MJ042704 7-[6-(3-Hydroxy-1-octenyl)-2-oxabicyclo[2.2.1]hept-5-yl]-5-heptenoic acid C21H34O4 350.245709 NA MeJP NA NA +MJ042705 8(17)-Labdene-15,18-dioic acid, 15-Me ester C21H34O4 350.245709 NA MeJP NA NA +MJ042706 Ambliolide C21H34O4 350.245709 NA MeJP NA NA +MJ042707 Amphidinolide Q C21H34O4 350.245709 NA MeJP NA NA +MJ042708 Constanolactone C; 17,18-Dihydro, 9-Me ether C21H34O4 350.245709 NA MeJP NA NA +MJ042709 Constanolactone C; 9-Epimer, 17,18-dihydro, 9-Me ether C21H34O4 350.245709 NA MeJP NA NA +MJ042710 Cotylenol C21H34O4 350.245709 NA MeJP NA NA +MJ042711 Holantogenin C21H34O4 350.245709 NA MeJP NA NA +MJ042712 Isocarbacyclin C21H34O4 350.245709 NA MeJP NA NA +MJ042713 Plakorsin C C21H34O4 350.245709 NA MeJP NA NA +MJ042714 Plakortide E C21H34O4 350.245709 NA MeJP NA NA +MJ042715 Pregn-5-ene-3,12,14,20-tetrol C21H34O4 350.245709 NA MeJP NA NA +MJ042716 [10]-Gingerol C21H34O4 350.245709 NA MeJP NA NA +MJ042717 olactone C; 9-Epimer, 17,18-dihydro, 9-Me ether C21H34O4 350.245709 NA MeJP NA NA +MJ042718 3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one C21H34O4 350.245709 NA MeJP NA NA +MJ042719 Tetrahydrocorticosterone C21H34O4 350.245709 NA MeJP NA NA +MJ042720 1-Octadecanol; O-Sulfate C18H38O4S 350.24908 NA MeJP NA NA +MJ042721 ?-Apo-12'-carotenal C25H34O 350.260965 NA MeJP NA NA +MJ042722 13-Labdene-8,15-diol, 15-Ac C22H38O3 350.282095 NA MeJP NA NA +MJ042723 15,16-Epoxy-3-clerodene-15,18-diol, 15-Et ether C22H38O3 350.282095 NA MeJP NA NA +MJ042724 3,4-Dimethyl-5-pentyl-2-furanundecanoic acid C22H38O3 350.282095 NA MeJP NA NA +MJ042725 3-Clerodene-15,18-diol, 15-Ac C22H38O3 350.282095 NA MeJP NA NA +MJ042726 3-Clerodene-15,18-diol, 18-Ac C22H38O3 350.282095 NA MeJP NA NA +MJ042727 3-Viscidene-5,16-diol; 16-Ac C22H38O3 350.282095 NA MeJP NA NA +MJ042728 5-Hexadecyl-2-furanacetic acid C22H38O3 350.282095 NA MeJP NA NA +MJ042729 8(17)-Labdene-14,15-diol, 14-Ac C22H38O3 350.282095 NA MeJP NA NA +MJ042730 8(17)-Labdene-14,15-diol, 15-Ac C22H38O3 350.282095 NA MeJP NA NA +MJ042731 20-Methyl-5,9-docosadienoic acid C23H42O2 350.31848 NA MeJP NA NA +MJ042732 21-Methyl-5,9-docosadienoic acid C23H42O2 350.31848 NA MeJP NA NA +MJ042733 1-Pentacosene C25H50 350.391251 NA MeJP NA NA +MJ042734 11-Pentacosene C25H50 350.391251 NA MeJP NA NA +MJ042735 9-Pentacosene C25H50 350.391251 NA MeJP NA NA +4 Sarcoplasmic DFHING 350.651 MH2+ Inhouse_peptide NA peptide +8306 Antioxidative peptide SVMPVVA 350.6827 MH2+ Inhouse_peptide NA peptide +MJ042736 2,3,7-Tribromo-1H-indole C8H4Br3N 350.789387 NA MeJP NA NA +MJ042737 2,4,6-Tribromo-1H-indole C8H4Br3N 350.789387 NA MeJP NA NA +MJ042738 3,4,6-Tribromo-1H-indole C8H4Br3N 350.789387 NA MeJP NA NA +MJ042739 3,5,7-Tribromo-1H-indole C8H4Br3N 350.789387 NA MeJP NA NA +MJ042740 8-Hydroxy-7-iodo-5-quinolinesulfonic acid C9H6INO4S 350.906221 NA MeJP NA NA +MJ042741 N-(2-Bromophenyl)-N'-(2-hydroxy-4-nitrophenyl)urea C13H10BrN3O4 350.985468 NA MeJP NA NA +MetaCyc03107 5-methylaminomethyl-2-selenouridine [mnm(5)se(2)U;] C11H17N3O5SE1 351.033342 NA metacyc NA NA +C08169 Meloxicam C14H13N3O4S2 351.0347 NA KEGG NA NA +C08170 Transferred to D00970 C14H13N3O4S2 351.0347 NA KEGG NA NA +MJ042742 Meloxicam C14H13N3O4S2 351.034747 NA MeJP NA NA +MJ042743 3-[[(4,7-Dichloro-2-benzoxazolyl)methyl]amino]-5-ethyl-6-methyl-2(1H)-pyridinone C16H15Cl2N3O2 351.054132 NA MeJP NA NA +MJ042744 N'-[2-Chloro-5-(methylthio)phenyl]-N-methyl-N-[3-(methylthio)phenyl]guanidine C16H18ClN3S2 351.063066 NA MeJP NA NA +C02088 Tos-Phe-CH2Cl C17H18ClNO3S 351.0696 NA KEGG NA NA +C02089 O-Acyltropine C9H14NO2R 351.0696 NA KEGG NA NA +MJ042745 Muscaaurin I C14H13N3O8 351.070264 NA MeJP NA NA +C08559 Musca-aurin-I C14H13N3O8 351.0703 NA KEGG NA NA +PJ000464 CDD C11H17N3O8S 351.0737 NA PeJP NA NA +MJ042746 1,3,10,11,12-Pentahydroxy-2-naphthacenecarboxamide C19H13NO6 351.074287 NA MeJP NA NA +MJ042747 Filiformine C19H13NO6 351.074287 NA MeJP NA NA +MJ042748 Axinyssimide A C16H24Cl3NO 351.092347 NA MeJP NA NA +MJ042749 2-Butyl-4-chloro-1-[(2-nitrophenyl)methyl]-1H-imidazole-5-acetic acid C16H18ClN3O4 351.098583 NA MeJP NA NA +C14875 S-(2-Hydroxyethyl)glutathione C12H21N3O7S 351.11 NA KEGG NA NA +PJ000465 SDM C12H21N3O7S 351.11 NA PeJP NA NA +MJ042750 1,2,3-Trimethoxy-4,5-dioxo-6a,7-dehydroaporphine C20H17NO5 351.110672 NA MeJP NA NA +MJ042751 7-Formyldehydronornantentine C20H17NO5 351.110672 NA MeJP NA NA +MJ042752 Corunnine C20H17NO5 351.110672 NA MeJP NA NA +MJ042753 Dauriporphine C20H17NO5 351.110672 NA MeJP NA NA +MJ042754 Dehydroisocorydione C20H17NO5 351.110672 NA MeJP NA NA +MJ042755 Dehydronantenine; N-De-Me, N-formyl C20H17NO5 351.110672 NA MeJP NA NA +MJ042756 Fumariline C20H17NO5 351.110672 NA MeJP NA NA +MJ042757 Glaunidine C20H17NO5 351.110672 NA MeJP NA NA +MJ042758 Grandirubrine; Me ether C20H17NO5 351.110672 NA MeJP NA NA +MJ042759 Imenine C20H17NO5 351.110672 NA MeJP NA NA +MJ042760 Imerubrine C20H17NO5 351.110672 NA MeJP NA NA +MJ042761 Oxoglaucine C20H17NO5 351.110672 NA MeJP NA NA +MJ042762 Oxyberberine C20H17NO5 351.110672 NA MeJP NA NA +MJ042763 Pontevedrine; 9-Demethoxy C20H17NO5 351.110672 NA MeJP NA NA +MJ042764 Ribasine C20H17NO5 351.110672 NA MeJP NA NA +MJ042765 Thalidastine, O10-Me C20H18NO5(+) 351.110672 NA MeJP NA NA +C04015 N-Acetyl-4-O-acetylneuraminate C13H21NO10 351.1165 NA KEGG NA NA +C04016 N-Acetyl-7-O-acetylneuraminate C13H21NO10 351.1165 NA KEGG NA NA +C04017 N-Acetyl-9-O-acetylneuraminate C13H21NO10 351.1165 NA KEGG NA NA +C04018 N-Acetyl-D-galactosaminoglycan C13H21NO10 351.1165 NA KEGG NA NA +C04019 N-Acetyl-alpha-D-glucosaminide C8H14NO6R 351.1165 NA KEGG NA NA +MetaCyc03108 N-acetyl-O-acetylneuraminate [] C13H21N1O10 351.116546 NA metacyc NA NA +MetaCyc03109 N-acetyl-9-O-acetylneuraminate [] C13H21N1O10 351.116546 NA metacyc NA NA +MetaCyc03110 N-Acetyl-4-O-acetylneuraminate [] C13H21N1O10 351.116546 NA metacyc NA NA +MetaCyc03111 N-acetyl-7-O-acetylneuraminate [] C13H21N1O10 351.116546 NA metacyc NA NA +HMDB00785 N-Acetyl-7-O-acetylneuraminic acid C13H21NO10 351.116547 NA HMDB2010 NA NA +HMDB00794 N-Acetyl-9-O-acetylneuraminic acid C13H21NO10 351.116547 NA HMDB2010 NA NA +HMDB00796 N-Acetyl-4-O-acetylneuraminic acid C13H21NO10 351.116547 NA HMDB2010 NA NA +HMDB00785 N-Acetyl-7-O-acetylneuraminic acid C13H21NO10 351.11655 http://www.hmdb.ca/metabolites/HMDB00785 HMDB NA NA +HMDB00794 N-Acetyl-9-O-acetylneuraminic acid C13H21NO10 351.11655 http://www.hmdb.ca/metabolites/HMDB00794 HMDB NA NA +HMDB00796 N-Acetyl-4-O-acetylneuraminic acid C13H21NO10 351.11655 http://www.hmdb.ca/metabolites/HMDB00796 HMDB NA NA +HMDB00785 N-Acetyl-7-O-acetylneuraminic acid C13H21NO10 351.11655 HMDB00785 PFEM_hmdb_metabocards_official NA NA +HMDB00794 N-Acetyl-9-O-acetylneuraminic acid C13H21NO10 351.11655 HMDB00794 PFEM_hmdb_metabocards_official NA NA +HMDB00796 N-Acetyl-4-O-acetylneuraminic acid C13H21NO10 351.11655 HMDB00796 PFEM_hmdb_metabocards_official NA NA +C17950 N-Acetyldemethylphosphinothricin tripeptide C12H22N3O7P 351.1195 NA KEGG NA NA +MJ042766 Wuchuyuamide I C19H17N3O4 351.121906 NA MeJP NA NA +C08026 Oxycodone hydrochloride C18H21NO4 351.1237 NA KEGG NA NA +MJ042767 Adinazolam C19H18ClN5 351.125073 NA MeJP NA NA +MJ042768 Epicillin C16H21N3O4S 351.125276 NA MeJP NA NA +PJ000466 AMM C13H25N3O4S2 351.1287 NA PeJP NA NA +MJ042769 Tazarotene C21H21NO2S 351.129299 NA MeJP NA NA +C12531 Tazarotene C21H21NO2S 351.1293 NA KEGG NA NA +C12532 Transferred to D01133 C21H21NO2S 351.1293 NA KEGG NA NA +C12533 Transferred to D01134 C21H21NO2S 351.1293 NA KEGG NA NA +C12534 Transferred to D01135 C21H21NO2S 351.1293 NA KEGG NA NA +C12535 Transferred to D01136 C21H21NO2S 351.1293 NA KEGG NA NA +C12536 Transferred to D01137 C21H21NO2S 351.1293 NA KEGG NA NA +C12537 Transferred to D01138 C21H21NO2S 351.1293 NA KEGG NA NA +C12538 Transferred to D01139 C21H21NO2S 351.1293 NA KEGG NA NA +C12539 Transferred to D01140 C21H21NO2S 351.1293 NA KEGG NA NA +MJ042770 Rhizocticin; Rhizocticin A C11H22N5O6P 351.130769 NA MeJP NA NA +C17944 Rhizocticin A C11H22N5O6P 351.1308 NA KEGG NA NA +MJ042771 2-Amino-2-deoxyxylose; ?-D-Furanose-form, Me glycoside, N-benzoyl, di-Ac C17H21NO7 351.131802 NA MeJP NA NA +7868 peptide from Okara protein ADF 351.1319 antioxidative Inhouse_peptide NA peptide +C07078 Lomefloxacin C17H19F2N3O3 351.1394 NA KEGG NA NA +C07079 Transferred to D00363 C17H19F2N3O3 351.1394 NA KEGG NA NA +MJ042772 Lomefloxacin C17H19F2N3O3 351.139447 NA MeJP NA NA +PJ000467 GEF C16H21N3O6 351.1431 NA PeJP NA NA +MJ042773 Benfluorex C19H20F3NO2 351.144613 NA MeJP NA NA +PJ000468 TTM C13H25N3O6S 351.1464 NA PeJP NA NA +MJ042774 5,7-Dihydroxy-8-(2-piperidinyl)flavone; 5-Me ether C21H21NO4 351.147058 NA MeJP NA NA +MJ042775 5,7-Dihydroxy-8-(2-piperidinyl)flavone; N-Me C21H21NO4 351.147058 NA MeJP NA NA +MJ042776 Bulgaramine C21H21NO4 351.147058 NA MeJP NA NA +MJ042777 Capitavine C21H21NO4 351.147058 NA MeJP NA NA +MJ042778 Dehydrocavidine C21H21NO4 351.147058 NA MeJP NA NA +MJ042779 Guadiscidine; Me ether, 11-methoxy C21H21NO4 351.147058 NA MeJP NA NA +MJ042780 Melosmine; O1-Me C21H21NO4 351.147058 NA MeJP NA NA +MJ042781 Ochotensine C21H21NO4 351.147058 NA MeJP NA NA +MJ042782 Phyllosteminine C21H21NO4 351.147058 NA MeJP NA NA +MJ042783 Thaliglucinone; Deoxo C21H21NO4 351.147058 NA MeJP NA NA +MJ042784 Zindoxifene C21H21NO4 351.147058 NA MeJP NA NA +MJ042785 Dehydrocorydaline; O2-De-Me C21H22NO4(+) 351.147058 NA MeJP NA NA +MJ042786 Dehydrocorydaline; O3-De-Me C21H22NO4(+) 351.147058 NA MeJP NA NA +MJ042787 Lambertine; N-Me C21H22NO4(+) 351.147058 NA MeJP NA NA +MJ042788 Palmatine C21H22NO4(+) 351.147058 NA MeJP NA NA +MJ042789 Pseudopalmatine C21H22NO4(+) 351.147058 NA MeJP NA NA +MJ042790 Tetrahydrocorysamine, ?-N-Me C21H22NO4(+) 351.147058 NA MeJP NA NA +C09597 Ochotensine C21H21NO4 351.1471 NA KEGG NA NA +C14745 Zindoxifene C21H21NO4 351.1471 NA KEGG NA NA +MJ042791 Dambullin; N-Me C18H25NO4S 351.150428 NA MeJP NA NA +MJ042792 Validoxylamine B C14H25NO9 351.152931 NA MeJP NA NA +MJ042793 N-(2-Hydroxycyclopentyl)adenosine C15H21N5O5 351.154268 NA MeJP NA NA +MJ042794 Zeatin, 9-?-D-Ribofuranosyl C15H21N5O5 351.154268 NA MeJP NA NA +MetaCyc03112 trans-zeatin riboside [ZR;zeatin riboside;] C15H21N5O5 351.154269 NA metacyc NA NA +MetaCyc03113 O-β-D-xylosylzeatin [] C15H21N5O5 351.154269 NA metacyc NA NA +MetaCyc03114 cis-zeatin riboside [cZR;] C15H21N5O5 351.154269 NA metacyc NA NA +C03300 O-beta-D-Xylosylzeatin C15H21N5O5 351.1543 NA KEGG NA NA +C03302 Oxidized putidaredoxin C15H21N5O5 351.1543 NA KEGG NA NA +C03303 Peptidylamidoglycolate C4H7N2O4R 351.1543 NA KEGG NA NA +C03304 Poliovirus polyprotein C4H7N2O4R 351.1543 NA KEGG NA NA +C16431 trans-Zeatin riboside C15H21N5O5 351.1543 NA KEGG NA NA +C16449 cis-Zeatin riboside C15H21N5O5 351.1543 NA KEGG NA NA +MJ042795 Phosphinothricylalanylvaline C13H26N3O6P 351.155922 NA MeJP NA NA +MJ042796 Aniflorine C20H21N3O3 351.158291 NA MeJP NA NA +MJ042797 Cycloechinulin C20H21N3O3 351.158291 NA MeJP NA NA +MJ042798 Moquizone C20H21N3O3 351.158291 NA MeJP NA NA +C10635 Aniflorine C20H21N3O3 351.1583 NA KEGG NA NA +PJ000469 FW C20H21N3O3 351.1583 NA PeJP NA NA +MJ042799 Virantmycin C19H26ClNO3 351.160121 NA MeJP NA NA +2738 regulating phosphoinositole mechanism peptide LGY 351.168 antibacterial Inhouse_peptide NA peptide +2739 regulating phosphoinositole mechanism peptide GLY 351.168 antibacterial Inhouse_peptide NA peptide +3099 fragment of bovine alpha s1 casein (92-94) LGY 351.168 celiac toxic Inhouse_peptide NA peptide +3546 ACE inhibitor VAY 351.168 ACE inhibitor Inhouse_peptide NA peptide +3973 ACE inhibitor (from bovine a-La) YGL 351.168 ACE inhibitor Inhouse_peptide NA peptide +MJ042800 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(3,4,5-Trimethoxybenzoyl) C18H25NO6 351.168187 NA MeJP NA NA +MJ042801 Anacrotine C18H25NO6 351.168187 NA MeJP NA NA +MJ042802 Crotafoline C18H25NO6 351.168187 NA MeJP NA NA +MJ042803 Cruentine B C18H25NO6 351.168187 NA MeJP NA NA +MJ042804 Doriasenine C18H25NO6 351.168187 NA MeJP NA NA +MJ042805 Grantaline C18H25NO6 351.168187 NA MeJP NA NA +MJ042806 Gynuramine C18H25NO6 351.168187 NA MeJP NA NA +MJ042807 Jacobine C18H25NO6 351.168187 NA MeJP NA NA +MJ042808 Madurensine C18H25NO6 351.168187 NA MeJP NA NA +MJ042809 Monocrotaline; 12,13-Cyclic acetaldehyde acetal C18H25NO6 351.168187 NA MeJP NA NA +MJ042810 Nemorensine; 11,14-Diepimer, 1,2-didehydro, 12S-hydroxy C18H25NO6 351.168187 NA MeJP NA NA +MJ042811 Nemorensine; 11,14-Diepimer, 1,2-didehydro, 13R-hydroxy C18H25NO6 351.168187 NA MeJP NA NA +MJ042812 Nemorensine; 11,14-Diepimer, 1,2-didehydro, N-oxide C18H25NO6 351.168187 NA MeJP NA NA +MJ042813 Ptelefoline; 3',4'-Dihydro, 3'-hydroxy C18H25NO6 351.168187 NA MeJP NA NA +MJ042814 Retronecine 9-(2,3-dihydroxy-2-hydroxymethylbutanoate) 7-senecioate; 2'',3''-Dideoxy, 2'',3''-didehydro, N-oxide C18H25NO6 351.168187 NA MeJP NA NA +MJ042815 Retrorsine C18H25NO6 351.168187 NA MeJP NA NA +MJ042816 Rosmarinine; 13,19-Didehydro C18H25NO6 351.168187 NA MeJP NA NA +MJ042817 Senecionine; 15E-Isomer, 21-hydroxy C18H25NO6 351.168187 NA MeJP NA NA +MJ042818 Senecionine; 15E-Isomer, N-oxide C18H25NO6 351.168187 NA MeJP NA NA +MJ042819 Senecionine; N-Oxide C18H25NO6 351.168187 NA MeJP NA NA +C10277 Anacrotine C18H25NO6 351.1682 NA KEGG NA NA +C10279 Angularine C18H25NO6 351.1682 NA KEGG NA NA +C10339 Jacobine C18H25NO6 351.1682 NA KEGG NA NA +C10364 Retrorsine C18H25NO6 351.1682 NA KEGG NA NA +C10413 Usaramine C18H25NO6 351.1682 NA KEGG NA NA +C15612 Senecionine N-oxide C18H25NO6 351.1682 NA KEGG NA NA +C07508 Pirenzepine C19H21N5O2 351.1695 NA KEGG NA NA +MJ042820 Pirenzepine C19H21N5O2 351.169524 NA MeJP NA NA +MetaCyc03115 4,21-dehydrogeissoschizine [] C21H23N2O3 351.170868 NA metacyc NA NA +C03677 4,21-Dehydrogeissoschizine C21H23N2O3 351.1709 NA KEGG NA NA +C11679 4,21-Dehydrocorynantheine aldehyde C21H23N2O3 351.1709 NA KEGG NA NA +MJ042821 4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]benzamide C21H22FN3O 351.17469 NA MeJP NA NA +8036 synthetic peptide PHV 351.178 antibacterial Inhouse_peptide NA peptide +PJ000470 GLY C17H25N3O5 351.1794 NA PeJP NA NA +C12864 Tamibarotene C22H25NO3 351.1834 NA KEGG NA NA +C15619 Am 580 C22H25NO3 351.1834 NA KEGG NA NA +MJ042822 2-(?-Hydroxybenzyl)-3-tropanol, O3-Benzoyl C22H25NO3 351.183443 NA MeJP NA NA +MJ042823 2-Benzyl-3,6-tropanediol, O6-Benzoyl C22H25NO3 351.183443 NA MeJP NA NA +MJ042824 Holadienine; 14,15-Didehydro, 16,18-dioxo C22H25NO3 351.183443 NA MeJP NA NA +MJ042825 Julandine, 4',4''-Di-O-de-Me C22H25NO3 351.183443 NA MeJP NA NA +MJ042826 N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]cinnamide, 4''-O-(3-Methyl-2-butenyl) C22H25NO3 351.183443 NA MeJP NA NA +MJ042827 Pipoxolan C22H25NO3 351.183443 NA MeJP NA NA +MJ042828 Tamibarotene C22H25NO3 351.183443 NA MeJP NA NA +PJ000471 PVH C16H25N5O4 351.1907 NA PeJP NA NA +MJ042829 Deoxybrevianamide E C21H25N3O2 351.194677 NA MeJP NA NA +MJ042830 Tryprostatin A; Demethoxy C21H25N3O2 351.194677 NA MeJP NA NA +MJ042831 Burodiline C19H29NO5 351.204573 NA MeJP NA NA +MJ042832 Dipivefrin C19H29NO5 351.204573 NA MeJP NA NA +MJ042833 Stemospironine C19H29NO5 351.204573 NA MeJP NA NA +MJ042834 1,7-Dihydroxy-1-hydroxymethylpyrrolizidine, N-Me, O7,O1'-diangeloyl C19H30NO5(+) 351.204573 NA MeJP NA NA +C06963 Dipivefrin C19H29NO5 351.2046 NA KEGG NA NA +C06964 Transferred to D00302 C19H29NO5 351.2046 NA KEGG NA NA +MJ042835 1-[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]-1H-benzotriazole C20H25N5O 351.20591 NA MeJP NA NA +MJ042836 4-Coumaroylspermidine; 3',5'-Dimethoxy C18H29N3O4 351.215806 NA MeJP NA NA +MJ042837 Phenadoxone C23H29NO2 351.219829 NA MeJP NA NA +MJ042838 Pinolcaine C23H29NO2 351.219829 NA MeJP NA NA +MJ042839 Pyrrolifene C23H29NO2 351.219829 NA MeJP NA NA +MJ042840 Pulchellidine C20H33NO4 351.240958 NA MeJP NA NA +MJ042841 Loesenerine; 16,17E-Didehydro, 18?-hydroxy C19H33N3O3 351.252191 NA MeJP NA NA +MJ042842 Keramamine C C23H33N3 351.267448 NA MeJP NA NA +MJ042843 Incarvilline; O-(8-Hydroxy-2,6-dimethyl-2-octenoyl)(E-) C21H37NO3 351.277344 NA MeJP NA NA +MJ042844 Laingolide C21H37NO3 351.277344 NA MeJP NA NA +MJ042845 Melophlin A C21H37NO3 351.277344 NA MeJP NA NA +MJ042846 12-Oxooctadecanoic acid; Pyrrolidide C22H41NO2 351.313729 NA MeJP NA NA +MJ042847 Hexedine C22H45N3 351.361348 NA MeJP NA NA +MetaCyc03116 Fe4S4 iron-sulfur center [4Fe-4S iron-sulfur cluster;4Fe-4S center;4Fe-4S cluster;4Fe-4S;Fe4S4;[4Fe-4S];] S4FE4 351.628051 NA metacyc NA NA +MJ042848 Selenium sulfides S6Se2 351.665467 NA MeJP NA NA +8282 Antioxidative peptide ISELGW 351.671 MH2+ Inhouse_peptide NA peptide +MJ042849 N,N'-Bis(2,2,2-trichloro-1-hydroxyethyl)urea C5H6Cl6N2O3 351.850958 NA MeJP NA NA +C14699 1-Hydroxychlordene C10H6Cl6O 351.855 NA KEGG NA NA +MJ042850 Bismuth iodide oxide (BiIO) BiIO 351.879766 NA MeJP NA NA +MJ042851 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid; 3,5-Dibromo, Et ester C10H10Br2O4 351.894584 NA MeJP NA NA +MJ042852 1-Bromo-3,4,7,8-tetrachloro-3,7-dimethyl-1,5-octadiene C10H13BrCl4 351.895473 NA MeJP NA NA +MJ042853 8-Bromo-1,3,4,7-tetrachloro-3,7-dimethyl-1,5-octadiene C10H13BrCl4 351.895473 NA MeJP NA NA +MJ042854 Violacene C10H13BrCl4 351.895473 NA MeJP NA NA +C17107 Violacene C10H13BrCl4 351.8955 NA KEGG NA NA +MJ042855 1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane C14H9Cl5 351.914688 NA MeJP NA NA +MetaCyc03117 1,1,1-trichloro-2,2-bis(4-chlorophenyl)ethane [DDT;] C14H9CL5 351.914689 50-29-3 metacyc NA NA +C04623 1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane C14H9Cl5 351.9147 NA KEGG NA NA +C14187 1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane C14H9Cl5 351.9147 NA KEGG NA NA +MJ042856 6-Bromo-1-ethyl-?-carboline; 8-Bromo C13H10Br2N2 351.921073 NA MeJP NA NA +MJ042857 6,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one; Bis(hydrogen sulfate) C10H8O10S2 351.955887 NA MeJP NA NA +MJ042858 Bis(8-quinolinolato-N1,O8)zinc C18H12N2O2Zn 352.019024 NA MeJP NA NA +MJ042859 Thelephoric acid C18H8O8 352.021917 NA MeJP NA NA +FL2FAANSS001 5,7,4'-Trihydroxyflavanone 7-sulfate C15H12O8S 352.02528 263369-39-7 knapsack NA NA +MJ042860 Asperxanthone; 10-O-De-Me, 10-O-sulfate C15H12O8S 352.025288 NA MeJP NA NA +C14346 Bisphenol A bis(chloroformate) C17H14Cl2O4 352.0269 NA KEGG NA NA +HMDB03173 Petunidin C16H13ClO7 352.034973 NA HMDB2010 NA NA +MJ042861 Chloromonilinic acid B C16H13ClO7 352.03498 NA MeJP NA NA +MJ042862 Antibiotic 8U-207 C11H16N2O7S2 352.039892 NA MeJP NA NA +C06187 Arbutin 6-phosphate C12H17O10P 352.0559 NA KEGG NA NA +MJ042863 Arbutin 6-phosphate C12H17O10P 352.055933 NA MeJP NA NA +MetaCyc03118 arbutin-6-phosphate [arbutin-6-p;arbutin 6-phosphate;arbutin-6P;] C12H17O10P1 352.055933 NA metacyc NA NA +C09216 Daphnoretin C19H12O7 352.0583 NA KEGG NA NA +C15095 Coumestrol diacetate C19H12O7 352.0583 NA KEGG NA NA +FLIFHXNF0001 12a-Hydroxydolineone C19H12O7 352.0583 28617-71-2 knapsack NA NA +MJ042864 12a-Hydroxydolineone C19H12O7 352.058302 NA MeJP NA NA +MJ042865 4,5',8'-Trihydroxy-5-methyl-3,7'-bicoumarin C19H12O7 352.058302 NA MeJP NA NA +MJ042866 Edgeworthin; 6-Me ether C19H12O7 352.058302 NA MeJP NA NA +MJ042867 Phlebiarubrone; 3',4',4''-Trihydroxy C19H12O7 352.058302 NA MeJP NA NA +MJ042868 Halazepam C17H12ClF3N2O 352.059025 NA MeJP NA NA +MJ042869 ?-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid C12H16O12 352.064175 NA MeJP NA NA +MJ042870 4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate C12H16O12 352.064176 NA MeJP NA NA +MJ042871 4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate C12H16O12 352.064176 NA MeJP NA NA +MetaCyc03119 4-(4-deoxy-β-D-gluc-4-enuronosyl)-galacturonate [4-(4-deoxy-β-D-gluc-4-enuronosyl)-D-galacturonate;] C12H16O12 352.064176 NA metacyc NA NA +C04733 4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate C12H16O12 352.0642 NA KEGG NA NA +C06118 4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate C12H16O12 352.0642 NA KEGG NA NA +CJneg0548 Ascorbic acid [2M-H]- C12H15O12 352.064725 C18rt(min)=1.04 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0548 Ascorbic acid [2M-H]- C12H15O12 352.064725 C18rt(min)=1.04 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ042872 2,2',4,4',6-Pentahydroxy-6'-methylbenzophenone; 2,2',4-Tri-Me ether, 5-chloro C17H17ClO6 352.071365 NA MeJP NA NA +MJ042873 Byakangelicin, 3'-Deoxy, 3'-chloro C17H17ClO6 352.071365 NA MeJP NA NA +MJ042874 Griseofulvin C17H17ClO6 352.071365 NA MeJP NA NA +C06686 Griseofulvin C17H17ClO6 352.0714 NA KEGG NA NA +C11584 4-Methylumbelliferone glucuronide C16H16O9 352.0794 NA KEGG NA NA +MJ042875 Bostrycin; 9?-Hydroxy C16H16O9 352.079432 NA MeJP NA NA +MJ042876 2-Bromo-3-chloro-11-bisabolene-7,10-diol C15H26BrClO2 352.08047 NA MeJP NA NA +MJ042877 3-Bromo-2-chloro-9-bisabolene-7,11-diol C15H26BrClO2 352.08047 NA MeJP NA NA +MJ042878 4-Chlorotryptophan, N-(Carbethoxyacetyl) C16H17ClN2O5 352.082599 NA MeJP NA NA +PJ000472 CCQ C11H20N4O5S2 352.0875 NA PeJP NA NA +FL3FACNP0002 Yinyanghuo E; 5,7-Dihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one C20H16O6 352.09468 174286-26-1 knapsack NA NA +FL3FALNP0004 Cycloartocarpesin;8-(2,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one C20H16O6 352.09468 23806-61-3 knapsack NA NA +FL3FALNR0007 Cyclocommunol;3,8,10-Trihydroxy-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one C20H16O6 352.09468 145643-96-5 knapsack NA NA +FL5FAANP0001 3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone C20H16O6 352.09468 108803-53-8 knapsack NA NA +FL5FAANP0002 Citrusinol C20H16O6 352.09468 112516-43-5 knapsack NA NA +FL5FE9NF0001 3,5,6-Trimethoxyfurano[2,3:7,8]flavone C20H16O6 352.09468 77970-07-1 knapsack NA NA +FLIAACNP0005 Semilicoisoflavone B C20H16O6 352.09468 129280-33-7 knapsack NA NA +FLIAALNF0002 Lupinisoflavone A C20H16O6 352.09468 93373-45-6 knapsack NA NA +FLIAALNF0004 Crotarin C20H16O6 352.09468 109517-69-3 knapsack NA NA +FLIAALNP0002 Licoisoflavone B C20H16O6 352.09468 66056-30-2 knapsack NA NA +FLIAALNP0003 Parvisoflavone B C20H16O6 352.09468 50277-02-6 knapsack NA NA +FLIAALNP0004 Parvisoflavone A C20H16O6 352.09468 50277-01-5 knapsack NA NA +FLIAALNP0012 Sophoraisoflavone A;Allolicoisoflavone B C20H16O6 352.09468 117204-81-6 knapsack NA NA +FLIE1ANF0001 Bavacoumestan B C20H16O6 352.09468 129385-64-4 knapsack NA NA +FLIE1ANI0002 Psoralidin oxide C20H16O6 352.09468 - knapsack NA NA +FLIE1ANP0006 Bavacoumestan A C20H16O6 352.09468 129385-63-3 knapsack NA NA +FLIF1LNF0003 Elliptone;Derride C20H16O6 352.09468 478-10-4 knapsack NA NA +FLIF1LNF0004 Erosone;Isoelliptone C20H16O6 352.09468 15236-21-2 knapsack NA NA +FLIG1LNI0002 Lupinalbin D C20H16O6 352.09468 98094-85-0 knapsack NA NA +FLIG1LNI0003 Lupinalbin B C20H16O6 352.09468 98113-96-3 knapsack NA NA +MJ042879 1,8,9-Anthracenetriol; Triol-form, Tri-Ac C20H16O6 352.094688 NA MeJP NA NA +MJ042880 2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-4H-1-benzopyran-4-one; 5'-Hydroxy C20H16O6 352.094688 NA MeJP NA NA +MJ042881 3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',5-Di-Me ether C20H16O6 352.094688 NA MeJP NA NA +MJ042882 3,5,6-Trimethoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one C20H16O6 352.094688 NA MeJP NA NA +MJ042883 3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one C20H16O6 352.094688 NA MeJP NA NA +MJ042884 4,5-Dihydro-4-(3,4-methylenedioxybenzyl)-3-(3,4-methylenedioxybenzylidene)-2(3H)-furanone C20H16O6 352.094688 NA MeJP NA NA +MJ042885 5,7-Dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one C20H16O6 352.094688 NA MeJP NA NA +MJ042886 6-(2,4,5-Trimethoxyphenyl)-7H-furo[3,2-g][1]benzopyran-7-one C20H16O6 352.094688 NA MeJP NA NA +MJ042887 Alpinumisoflavone; 11-Hydroxy(1) C20H16O6 352.094688 NA MeJP NA NA +MJ042888 Alpinumisoflavone; 11-Hydroxy(2) C20H16O6 352.094688 NA MeJP NA NA +MJ042889 Alpinumisoflavone; 3,4-Epoxide C20H16O6 352.094688 NA MeJP NA NA +MJ042890 Alterperylenol; 5,6-Dihydro C20H16O6 352.094688 NA MeJP NA NA +MJ042891 Antibiotic C 122 VI C20H16O6 352.094688 NA MeJP NA NA +MJ042892 Antibiotic SF 2609; Antibiotic SF 2609C C20H16O6 352.094688 NA MeJP NA NA +MJ042893 Bavacoumestan A C20H16O6 352.094688 NA MeJP NA NA +MJ042894 Bavacoumestan B C20H16O6 352.094688 NA MeJP NA NA +MJ042895 Candidusin A C20H16O6 352.094688 NA MeJP NA NA +MJ042896 Citrusinol C20H16O6 352.094688 NA MeJP NA NA +MJ042897 Cladospirone E C20H16O6 352.094688 NA MeJP NA NA +MJ042898 Cladospirone G; 5,8-Diketone C20H16O6 352.094688 NA MeJP NA NA +MJ042899 Cladosporol C20H16O6 352.094688 NA MeJP NA NA +MJ042900 Crotarin C20H16O6 352.094688 NA MeJP NA NA +MJ042901 Cycloartocarpesin C20H16O6 352.094688 NA MeJP NA NA +MJ042902 Cyclocommunol C20H16O6 352.094688 NA MeJP NA NA +MJ042903 Dihydrotaiwanin A C20H16O6 352.094688 NA MeJP NA NA +MJ042904 Elliptone C20H16O6 352.094688 NA MeJP NA NA +MJ042905 Eriosemaone D C20H16O6 352.094688 NA MeJP NA NA +MJ042906 Erosone C20H16O6 352.094688 NA MeJP NA NA +MJ042907 Erythrinin C; 2,3-Didehydro C20H16O6 352.094688 NA MeJP NA NA +MJ042908 Glabone; 3',5'-Dimethoxy C20H16O6 352.094688 NA MeJP NA NA +MJ042909 Konyanin C20H16O6 352.094688 NA MeJP NA NA +MJ042910 Leprapic acid C20H16O6 352.094688 NA MeJP NA NA +MJ042911 Licoisoflavone B C20H16O6 352.094688 NA MeJP NA NA +MJ042912 Lupinalbin B C20H16O6 352.094688 NA MeJP NA NA +MJ042913 Lupinalbin D C20H16O6 352.094688 NA MeJP NA NA +MJ042914 Lupinisoflavone B, 3''-Deoxy, 3'',4''-didehydro C20H16O6 352.094688 NA MeJP NA NA +MJ042915 Pachycarin A C20H16O6 352.094688 NA MeJP NA NA +MJ042916 Pachycarin B C20H16O6 352.094688 NA MeJP NA NA +MJ042917 Parvisoflavone A C20H16O6 352.094688 NA MeJP NA NA +MJ042918 Parvisoflavone B C20H16O6 352.094688 NA MeJP NA NA +MJ042919 Pinastric acid C20H16O6 352.094688 NA MeJP NA NA +MJ042920 Polygamain C20H16O6 352.094688 NA MeJP NA NA +MJ042921 Psoralidin; 2',3'-Epoxide C20H16O6 352.094688 NA MeJP NA NA +MJ042922 Rabelomycin; 8-Me ether C20H16O6 352.094688 NA MeJP NA NA +MJ042923 Rubiginone D2 C20H16O6 352.094688 NA MeJP NA NA +MJ042924 Salvianduline E C20H16O6 352.094688 NA MeJP NA NA +MJ042925 Semilicoisoflavone B C20H16O6 352.094688 NA MeJP NA NA +MJ042926 Sophoraisoflavone A C20H16O6 352.094688 NA MeJP NA NA +MJ042927 Stemphyperylenol C20H16O6 352.094688 NA MeJP NA NA +MJ042928 Subelliptenone C C20H16O6 352.094688 NA MeJP NA NA +MJ042929 Subelliptenone D C20H16O6 352.094688 NA MeJP NA NA +MJ042930 Vellokaempferol C20H16O6 352.094688 NA MeJP NA NA +MJ042931 Viridin C20H16O6 352.094688 NA MeJP NA NA +MJ042932 Zuihonin D C20H16O6 352.094688 NA MeJP NA NA +C10880 Savinin C20H16O6 352.0947 NA KEGG NA NA +MJ042933 Hyrtiomanzamine C18H17N4O2S(+) 352.099396 NA MeJP NA NA +PJ000473 GSSC C11H20N4O7S 352.1053 NA PeJP NA NA +MJ042934 Telikovinone; 7-Methoxy C19H16N2O5 352.105921 NA MeJP NA NA +C16672 Benzylpenicilloic acid C16H20N2O5S 352.1093 NA KEGG NA NA +MJ042935 Capillaridin A C24H16O3 352.109944 NA MeJP NA NA +MJ042936 2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone, O-?-D-Glucopyranoside C17H20O8 352.115817 NA MeJP NA NA +MJ042937 2-Methyl-1,4,5-naphthalenetriol; 4-O-?-D-Glucopyranoside C17H20O8 352.115817 NA MeJP NA NA +MJ042938 5,6-Dihydro-6-(4-hydroxyphenyl)-2H-pyran-2-one, O-?-D-Glucopyranoside C17H20O8 352.115817 NA MeJP NA NA +MJ042939 7-Methyl-1,4,5-naphthalenetriol; 4-O-?-D-Glucopyranoside C17H20O8 352.115817 NA MeJP NA NA +MJ042940 8-?-D-Glucopyranosyl-7-hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one C17H20O8 352.115817 NA MeJP NA NA +MJ042941 Bishopantholide C17H20O8 352.115817 NA MeJP NA NA +MJ042942 Islandic acid II; 1'-O-(3-Methyl-2-butenoyl), Me ester C17H20O8 352.115817 NA MeJP NA NA +MJ042943 Rhamnose; ?-L-Pyranose-form, 2-O-(4-Hydroxycinnamoyl)(E-), 3-Ac C17H20O8 352.115817 NA MeJP NA NA +C09360 Berberastine C20H18NO5 352.1185 NA KEGG NA NA +MJ042944 Belactin A C17H21ClN2O4 352.118984 NA MeJP NA NA +MJ042945 Triflupromazine C18H19F3N2S 352.122103 NA MeJP NA NA +MJ042946 1-Cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid C20H17FN2O3 352.12232 NA MeJP NA NA +PJ000474 CCK C12H24N4O4S2 352.1239 NA PeJP NA NA +HMDB01013 Cotinineglucuronide C16H20N2O7 352.127045 NA HMDB2010 NA NA +FL1C1ANP0008 Pongachalcone II C21H20O5 352.13107 64173-09-7 knapsack NA NA +FL1CA9NF0001 (+)-Tephrosone;3-Phenyl-1-[(3S,3aS,8aR)-2,3,3a,8a-tetrahydro-3,4-dihydroxy-2,2-dimethylfuro[2,3-b]benzofuran-5-yl]-2-propen-1-one C21H20O5 352.13107 93753-30-1 knapsack NA NA +FL1CA9NP0009 Epoxyobovatachalcone;4'',5''-Epoxy(6'',6''-dimethyl-4'',5''-dihydropyrano[2'',3'':4',3'])-2'-hydroxy-6'-methoxychalcone C21H20O5 352.13107 405555-04-6 knapsack NA NA +FL1CBANP0001 Xanthohumol C;6'',6''-Dimethylpyrano[2'',3'':4',3']-4,2'-dihydroxy-6'-methoxychalcone C21H20O5 352.13107 189299-05-6 knapsack NA NA +FL1CCANP0001 Citrunobin C21H20O5 352.13107 126026-23-1 knapsack NA NA +FL1CHYNP0001 Demethylpraecanson B C21H20O5 352.13107 74517-66-1 knapsack NA NA +FL2F1CNI0001 Ovaliflavanone C C21H20O5 352.13107 75680-31-8 knapsack NA NA +FL2FABNP0001 5-Hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone C21H20O5 352.13107 509078-09-5 knapsack NA NA +FL3FCANI0001 Artonin U;5-hydroxy-2-(4-Hydroxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C21H20O5 352.13107 123549-17-7 knapsack NA NA +FLIA1CNI0002 7-Prenyloxy-3'-hydroxy-4'-methoxyisoflavone C21H20O5 352.13107 82345-38-8 knapsack NA NA +FLIAABNI0001 Gancaonin A;5,7-Dihydroxy-4'-methoxy-6-prenylisoflavone C21H20O5 352.13107 27762-99-8 knapsack NA NA +FLIAABNI0002 Gancanin M;5,7,-Dihydroxy-4'-methoxy-8-prenylisoflavone C21H20O5 352.13107 129145-51-3 knapsack NA NA +FLIABANI0001 5-O-Methyllupiwighteone;7,4'-Dihydroxy-5-methoxy-8-prenylisoflavone C21H20O5 352.13107 104703-98-2 knapsack NA NA +FLIACANI0001 Gancaonin G;5,4'-Dihydroxy-7-methoxy-6-prenylisoflavone C21H20O5 352.13107 126716-34-5 knapsack NA NA +FLIC1LNP0006 Leiocin C21H20O5 352.13107 66446-88-6 knapsack NA NA +FLICWXNP0002 Neorauflavene C21H20O5 352.13107 53734-75-1 knapsack NA NA +FLID1CNI0001 Edunol;3-Hydroxy-8,9-methylenedioxy-2-prenylpterocarpan C21H20O5 352.13107 33909-74-9 knapsack NA NA +FLID1CNP0003 Neorautane C21H20O5 352.13107 36284-97-6 knapsack NA NA +FLIDBANP0001 Edulenanol C21H20O5 352.13107 76165-14-5 knapsack NA NA +MJ042947 1,3,8-Trihydroxy-6-methyl-2-(3-methyl-2-butenyl)anthraquinone; 3-Me ether C21H20O5 352.131073 NA MeJP NA NA +MJ042948 1,3,9-Trihydroxy-2-prenylpterocarpan; 6a,11a-Didehydro, 1-Me ether C21H20O5 352.131073 NA MeJP NA NA +MJ042949 1,3,9-Trihydroxypterocarpan, 3-O-(3-Methyl-2-butenyl), O1-Me C21H20O5 352.131073 NA MeJP NA NA +MJ042950 3',4',7-Trihydroxy-8-prenylflavanone, 3',4'-Methylene ether C21H20O5 352.131073 NA MeJP NA NA +MJ042951 3',4',7-Trihydroxyisoflavone; 4'-Me ether, 7-O-(3-methyl-2-butenyl) C21H20O5 352.131073 NA MeJP NA NA +MJ042952 3,8,9-Trihydroxy-7-prenylpterocarpene; 8-Me ether C21H20O5 352.131073 NA MeJP NA NA +MJ042953 4',5,7-Trihydroxy-3'-prenylisoflavone; 4'-Me ether C21H20O5 352.131073 NA MeJP NA NA +MJ042954 4',5,7-Trihydroxy-6-prenylisoflavone; 4'-Me ether C21H20O5 352.131073 NA MeJP NA NA +MJ042955 4',5,7-Trihydroxy-6-prenylisoflavone; 7-Me ether C21H20O5 352.131073 NA MeJP NA NA +MJ042956 4',5,7-Trihydroxy-8-prenylflavone; 7-Me ether C21H20O5 352.131073 NA MeJP NA NA +MJ042957 4',5,7-Trihydroxy-8-prenylisoflavone; 4'-Me ether C21H20O5 352.131073 NA MeJP NA NA +MJ042958 4',5,7-Trihydroxy-8-prenylisoflavone; 5-Me ether C21H20O5 352.131073 NA MeJP NA NA +MJ042959 8-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; ?7'-Isomer, 6'-oxo C21H20O5 352.131073 NA MeJP NA NA +MJ042960 Antibiotic M 4 C21H20O5 352.131073 NA MeJP NA NA +MJ042961 Artonol A C21H20O5 352.131073 NA MeJP NA NA +MJ042962 Cabenegrin A I; 4'-Deoxy C21H20O5 352.131073 NA MeJP NA NA +MJ042963 Citrunobin C21H20O5 352.131073 NA MeJP NA NA +MJ042964 Edunol C21H20O5 352.131073 NA MeJP NA NA +MJ042965 Garugamblin 2 C21H20O5 352.131073 NA MeJP NA NA +MJ042966 Isobavachromene; 3''-Methoxy C21H20O5 352.131073 NA MeJP NA NA +MJ042967 Isobavachromene; 7-Methoxy C21H20O5 352.131073 NA MeJP NA NA +MJ042968 Leiocin C21H20O5 352.131073 NA MeJP NA NA +MJ042969 Mallotus A; Mono-Me ether C21H20O5 352.131073 NA MeJP NA NA +MJ042970 Neorauflavane; 3,4-Didehydro C21H20O5 352.131073 NA MeJP NA NA +MJ042971 Neorautane C21H20O5 352.131073 NA MeJP NA NA +MJ042972 Neorautenol; 13-Methoxy C21H20O5 352.131073 NA MeJP NA NA +MJ042973 Otobain, 5-Methoxy, 7',8'R-didehydro C21H20O5 352.131073 NA MeJP NA NA +MJ042974 Phaseollin; 1-Methoxy C21H20O5 352.131073 NA MeJP NA NA +MJ042975 Phyllamyricoside B; 9'-Deoxy, 7-de(glucosyloxy) C21H20O5 352.131073 NA MeJP NA NA +MJ042976 Piloquinone C21H20O5 352.131073 NA MeJP NA NA +MJ042977 Purpurenone; 7-Methoxy, 5-de-Me C21H20O5 352.131073 NA MeJP NA NA +MJ042978 Sigmoidin H C21H20O5 352.131073 NA MeJP NA NA +MJ042979 Tephrostachin, 7-De-O-Me C21H20O5 352.131073 NA MeJP NA NA +MJ042980 Vismiaquinone C21H20O5 352.131073 NA MeJP NA NA +MJ042981 Xanthohumol C C21H20O5 352.131073 NA MeJP NA NA +MetaCyc03120 xanthohumol C [] C21H20O5 352.131074 NA metacyc NA NA +C11578 8-(3,3-Dimethylallyl)-3-methylgalangin C21H20O5 352.1311 NA KEGG NA NA +C11579 8-(1,1-Dimethylallyl)-3-methylgalangin C21H20O5 352.1311 NA KEGG NA NA +MJ042982 Anhydrohapaloxindole A C21H21ClN2O 352.134241 NA MeJP NA NA +C08357 Estradiol-17beta 3-sulfate C18H24O5S 352.1344 NA KEGG NA NA +HMDB04448 Estradiol-17beta 3-sulfate C18H24O5S 352.13443 NA HMDB2010 NA NA +MJ042983 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 3-O-Sulfate C18H24O5S 352.134444 NA MeJP NA NA +MJ042984 2-Hydroxy-2-(2-methylpropyl)butanedioic acid, O-?-D-Glucopyranoside C14H24O10 352.136946 NA MeJP NA NA +PJ000475 GNY C15H20N4O6 352.1383 NA PeJP NA NA +MJ042985 5-Hydroxytryptamine; Nb-(4-Hydroxy-3-methoxycinnamoyl)(E-) C20H20N2O4 352.142307 NA MeJP NA NA +MJ042986 5-Hydroxytryptamine; Nb-(4-Hydroxy-3-methoxycinnamoyl)(Z-) C20H20N2O4 352.142307 NA MeJP NA NA +MJ042987 Leniquinsin C20H20N2O4 352.142307 NA MeJP NA NA +MJ042988 Nareline C20H20N2O4 352.142307 NA MeJP NA NA +MJ042989 Oliveramine C20H20N2O4 352.142307 NA MeJP NA NA +MJ042990 Vobasenal C20H20N2O4 352.142307 NA MeJP NA NA +C15424 Estra-1,3,5(10)-triene-3,17beta-diol 3-phosphate C18H25O5P 352.144 NA KEGG NA NA +MJ042991 Isochromophilone III C19H25ClO4 352.144136 NA MeJP NA NA +C03292 Mercaptoacetyl-Phe-Leu C17H24N2O4S 352.1457 NA KEGG NA NA +MJ042992 3,4-Dibenzyl-5-benzylidene-2(5H)-furanone C25H20O2 352.146329 NA MeJP NA NA +MJ042993 1,11-Dihydroxy-2,8-dioxo-3-eudesmen-12-oic acid, 1-Ac, Me ester C18H24O7 352.152203 NA MeJP NA NA +MJ042994 4,5-Epoxy-8,10,13-trihydroxy-7-guaien-12,6-olide, 13-Me ether, 8-Ac C18H24O7 352.152203 NA MeJP NA NA +MJ042995 5,8-Dihydro-2,7-dimethyl-1,4-naphthalenediol; 1-O-?-D-Glucopyranoside C18H24O7 352.152203 NA MeJP NA NA +MJ042996 Coriandrone D C18H24O7 352.152203 NA MeJP NA NA +MJ042997 Lambicin C18H24O7 352.152203 NA MeJP NA NA +MJ042998 Malabarolide A1 C18H24O7 352.152203 NA MeJP NA NA +MJ042999 Nordinone; 4,5-Dihydroxy C18H24O7 352.152203 NA MeJP NA NA +MJ043000 p-Mentha-1,3,5-triene-2,5,8,9,10-pentol; 9-Tigloyl, 2-Me ether, 10-Ac C18H24O7 352.152203 NA MeJP NA NA +MJ043001 5-(4-Aminophenyl)-8,9-dihydro-N,8-dimethyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide C19H20N4O3 352.15354 NA MeJP NA NA +MJ043002 Thalphenine C21H22NO4 352.154883 NA MeJP NA NA +MJ043003 Palmatine C21H22NO4 352.154883 NA MeJP NA NA +MetaCyc03121 palmatine [5,6-dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium;] C21H22N1O4 352.154883 NA metacyc NA NA +C05315 Palmatine C21H22NO4 352.1549 NA KEGG NA NA +FL1C1ANI0010 4'-O-Methylbavachalcone C22H24O4 352.16745 41682-53-5 knapsack NA NA +FL1CA9NI0004 Ovalichalcone C22H24O4 352.16745 62820-10-4 knapsack NA NA +FL1CHYNI0001 Pongagallone A C22H24O4 352.16745 107585-61-5 knapsack NA NA +FL2FA9NI0016 Candidone C22H24O4 352.16745 77727-18-5 knapsack NA NA +FL64A9NF0002 Methylhildgardtol A C22H24O4 352.16745 104777-97-1 knapsack NA NA +FL64A9NP0002 Methylhildgardtol B C22H24O4 352.16745 104777-99-3 knapsack NA NA +FL64A9NP0003 Xuulanin;2H,(6R,8S)-rel-7,8-Dihydro-5,6-dimethoxy-2,2-dimethyl-8-phenyl-6H-benzo[1,2-b:5,4-b']dipyran C22H24O4 352.16745 299410-78-9 knapsack NA NA +MJ043004 2',4',6'-Trihydroxy-3'-prenylchalcone; 4',6'-Di-Me ether C22H24O4 352.167459 NA MeJP NA NA +MJ043005 2-Methylteretifolione B; Me ether C22H24O4 352.167459 NA MeJP NA NA +MJ043006 5,7-Dihydroxy-8-prenylflavanone, Di-Me ether C22H24O4 352.167459 NA MeJP NA NA +MJ043007 7-Hydroxy-8-(3-hydroxy-3-methyl-1-butenyl)flavanone, Di-Me ether C22H24O4 352.167459 NA MeJP NA NA +MJ043008 7-[2-(3,4-Dihydroxyphenyl)ethenyl]-2,2-dimethyl-2H-1-benzopyran-5-ol, 5-Deoxy, 5'-methoxy, 3',4'-di-Me ether C22H24O4 352.167459 NA MeJP NA NA +MJ043009 Hildgardtol A; Me ether C22H24O4 352.167459 NA MeJP NA NA +MJ043010 Hildgardtol B; Me ether C22H24O4 352.167459 NA MeJP NA NA +MJ043011 Pongagallone A C22H24O4 352.167459 NA MeJP NA NA +MJ043012 Pterosin C, 4-O-(Phenylacetyl) C22H24O4 352.167459 NA MeJP NA NA +MJ043013 Taxamairin A; 11-Me ether C22H24O4 352.167459 NA MeJP NA NA +MJ043014 Virone C22H24O4 352.167459 NA MeJP NA NA +MJ043015 Xuulanin C22H24O4 352.167459 NA MeJP NA NA +C15055 2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol C22H24O4 352.1675 NA KEGG NA NA +MJ043016 9,11-Eremophiladiene-3,8-diol, 3-[3-(Methylsulfinyl)-2-propenoyl](E-) C19H28O4S 352.17083 NA MeJP NA NA +MJ043017 19-Dehydroyohimbine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043018 19-Epi-3-isoajmalicine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043019 3-Isorauniticine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043020 Ajmalicine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043021 Akuammicine, 11-Methoxy C21H24N2O3 352.178692 NA MeJP NA NA +MJ043022 Akuammidine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043023 Akuammigine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043024 Akuammiline; O-De-Ac C21H24N2O3 352.178692 NA MeJP NA NA +MJ043025 Angusteine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043026 Apodine; Deoxo C21H24N2O3 352.178692 NA MeJP NA NA +MJ043027 Caracurine VII; Na-Ac C21H24N2O3 352.178692 NA MeJP NA NA +MJ043028 Chanofruticosine methyl ester; N1-De(methoxycarbonyl) C21H24N2O3 352.178692 NA MeJP NA NA +MJ043029 Coronaridine, 5-Oxo C21H24N2O3 352.178692 NA MeJP NA NA +MJ043030 Coronaridine, 6-Oxo C21H24N2O3 352.178692 NA MeJP NA NA +MJ043031 Corynantheine, O17-De-Me C21H24N2O3 352.178692 NA MeJP NA NA +MJ043032 Eglandine; 3-Ketone C21H24N2O3 352.178692 NA MeJP NA NA +MJ043033 Ervatamine; 19,20-Didehydro C21H24N2O3 352.178692 NA MeJP NA NA +MJ043034 Geissoschizine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043035 Gelsemine; N-Methoxy C21H24N2O3 352.178692 NA MeJP NA NA +MJ043036 Henningsiine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043037 Heyneatine; 19-Epimer, demethoxy C21H24N2O3 352.178692 NA MeJP NA NA +MJ043038 Hydroxindasol; O-Ac C21H24N2O3 352.178692 NA MeJP NA NA +MJ043039 Jasminiflorine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043040 Kopsinilam C21H24N2O3 352.178692 NA MeJP NA NA +MJ043041 Kopsinine; 17?-Hydroxy, 14,15-didehydro C21H24N2O3 352.178692 NA MeJP NA NA +MJ043042 Lochnericine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043043 Mayumbine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043044 Minovincine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043045 Minovincinine, 19-Epimer, 14,15-didehydro C21H24N2O3 352.178692 NA MeJP NA NA +MJ043046 Pandine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043047 Perakine; 19-Alcohol C21H24N2O3 352.178692 NA MeJP NA NA +MJ043048 Pericyclivine; 10-Hydroxy, N1-Me C21H24N2O3 352.178692 NA MeJP NA NA +MJ043049 Pericyclivine; 10-Methoxy C21H24N2O3 352.178692 NA MeJP NA NA +MJ043050 Perivine; 16-Epimer, N4-Me C21H24N2O3 352.178692 NA MeJP NA NA +MJ043051 Perivine; N4-Me C21H24N2O3 352.178692 NA MeJP NA NA +MJ043052 Picrinine; Na-Me C21H24N2O3 352.178692 NA MeJP NA NA +MJ043053 Pleiocarpamine; 16-Hydroxymethyl C21H24N2O3 352.178692 NA MeJP NA NA +MJ043054 Polyneuridine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043055 Preakuammicine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043056 Precondylocarpine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043057 Quebrachidine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043058 Rauniticine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043059 Retulinal; 12-Hydroxy C21H24N2O3 352.178692 NA MeJP NA NA +MJ043060 Retulinal; 16-Epimer, 12-hydroxy C21H24N2O3 352.178692 NA MeJP NA NA +MJ043061 Retulinal; 16-Epimer, 16-hydroxy C21H24N2O3 352.178692 NA MeJP NA NA +MJ043062 Retuline; 2,16-Didehydro, N-de-Ac, N-hydroxyacetyl C21H24N2O3 352.178692 NA MeJP NA NA +MJ043063 Roecarboline C21H24N2O3 352.178692 NA MeJP NA NA +MJ043064 Rosamine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043065 Sarpagine; O17-Ac C21H24N2O3 352.178692 NA MeJP NA NA +MJ043066 Schizogaline; 10-Methoxy C21H24N2O3 352.178692 NA MeJP NA NA +MJ043067 Strictamine; 11-Methoxy C21H24N2O3 352.178692 NA MeJP NA NA +MJ043068 Tabersonine, 11-Hydroxy C21H24N2O3 352.178692 NA MeJP NA NA +MJ043069 Tabersonine, 19R-Hydroxy C21H24N2O3 352.178692 NA MeJP NA NA +MJ043070 Tabersonine, 19S-Hydroxy C21H24N2O3 352.178692 NA MeJP NA NA +MJ043071 Tabersonine, N4-Oxide C21H24N2O3 352.178692 NA MeJP NA NA +MJ043072 Tetrahydroalstonine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043073 Tsilanine; O-De-Me C21H24N2O3 352.178692 NA MeJP NA NA +MJ043074 Venalstonine; 19?-Hydroxy C21H24N2O3 352.178692 NA MeJP NA NA +MJ043075 Venalstonine; 6?,7?-Epoxide C21H24N2O3 352.178692 NA MeJP NA NA +MJ043076 Vincadifformine, 3-Oxo C21H24N2O3 352.178692 NA MeJP NA NA +MJ043077 Vincadifformine, 5-Oxo C21H24N2O3 352.178692 NA MeJP NA NA +MJ043078 Vincamine, 14,15-Didehydro C21H24N2O3 352.178692 NA MeJP NA NA +MJ043079 Vincamine, 16-Epimer, 14,15-didehydro C21H24N2O3 352.178692 NA MeJP NA NA +MJ043080 Vincoridine C21H24N2O3 352.178692 NA MeJP NA NA +MJ043081 Vindolinine; 16?-Hydroxy C21H24N2O3 352.178692 NA MeJP NA NA +MJ043082 Vindolinine; 19-Epimer, 16?-hydroxy C21H24N2O3 352.178692 NA MeJP NA NA +MJ043083 Vindolinine; 19-Epimer, N-oxide C21H24N2O3 352.178692 NA MeJP NA NA +MJ043084 Vinervine; Me ether C21H24N2O3 352.178692 NA MeJP NA NA +MJ043085 ?-Yohimbine, 3(N)-Dehydro C21H25N2O3(+) 352.178692 NA MeJP NA NA +MJ043086 Ochropposinine, 3,4,5,6,18,19-Hexadehydro C21H25N2O3(+) 352.178692 NA MeJP NA NA +MetaCyc03122 geissoschizine [] C21H24N2O3 352.178693 439-66-7 metacyc NA NA +MetaCyc03123 16-hydroxytabersonine [] C21H24N2O3 352.178693 NA metacyc NA NA +MetaCyc03124 1,2-dihydrovomilenine [] C21H24N2O3 352.178693 NA metacyc NA NA +C02151 Geissoschizine C21H24N2O3 352.1787 NA KEGG NA NA +C09024 Ajmalicine C21H24N2O3 352.1787 NA KEGG NA NA +C09026 Akuammidine C21H24N2O3 352.1787 NA KEGG NA NA +C09253 Vobasine C21H24N2O3 352.1787 NA KEGG NA NA +C11642 19-Hydroxytabersonine C21H24N2O3 352.1787 NA KEGG NA NA +C11643 16-Hydroxytabersonine C21H24N2O3 352.1787 NA KEGG NA NA +C11676 Lochnericine C21H24N2O3 352.1787 NA KEGG NA NA +C11682 Tetrahydroalstonine C21H24N2O3 352.1787 NA KEGG NA NA +C11683 19-epi-Ajmalicine C21H24N2O3 352.1787 NA KEGG NA NA +C11808 1,2-Dihydrovomilenine C21H24N2O3 352.1787 NA KEGG NA NA +C15086 3-Allyloxyestra-1,3,5(10),7-tetraene-16,17-dione dioxime C21H24N2O3 352.1787 NA KEGG NA NA +C15400 9-Chloro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one C20H29ClO3 352.1805 NA KEGG NA NA +MJ043087 4-Chloro-3-hydroxy-7,11,15(17)-cembratrien-16,14-olide C20H29ClO3 352.180522 NA MeJP NA NA +MJ043088 Molokinenone C20H29ClO3 352.180522 NA MeJP NA NA +MJ043089 1-[(3-Hydroxyphenyl)sulfonyl]-2-[2-(4-methyl-1-piperidinyl)ethyl]pyrrolidine C18H28N2O3S 352.182063 NA MeJP NA NA +MJ043090 Almokalant C18H28N2O3S 352.182063 NA MeJP NA NA +MJ043091 Diptocarpidine C15H32N2O3S2 352.185434 NA MeJP NA NA +MJ043092 Valomaciclovir C15H24N6O4 352.185903 NA MeJP NA NA +MJ043093 1,10-Epoxy-4-bicyclogermacrene-2,3,14-triol, 3,14-Di-Ac C19H28O6 352.188588 NA MeJP NA NA +MJ043094 1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro, di-Ac C19H28O6 352.188588 NA MeJP NA NA +MJ043095 1,4,15-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 15-(2-Methylpropanoyl) C19H28O6 352.188588 NA MeJP NA NA +MJ043096 1,4,15-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-(2-Methylpropanoyl) C19H28O6 352.188588 NA MeJP NA NA +MJ043097 1,4,6-Trihydroxy-11(13)-eudesmen-12,8-olide, 6-(2-Methylpropanoyl) C19H28O6 352.188588 NA MeJP NA NA +MJ043098 1,5,15-Trihydroxy-2,6,10-farnesatrien-12-al; 5-Deoxy, 15-Ac, 14-acetoxy C19H28O6 352.188588 NA MeJP NA NA +MJ043099 1,5,8-Trihydroxy-4(15)-eudesmen-12,6-olide, 8-(2-Methylpropanoyl) C19H28O6 352.188588 NA MeJP NA NA +MJ043100 1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 14-(Methylpropanoyl) C19H28O6 352.188588 NA MeJP NA NA +MJ043101 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2-(2-Methylpropanoyl) C19H28O6 352.188588 NA MeJP NA NA +MJ043102 2-Isopropyl-5-(3-methyl-2-butenyl)-1,4-benzenediol; 1-O-?-D-Xylopyranoside C19H28O6 352.188588 NA MeJP NA NA +MJ043103 3,10-Epoxy-3,8-dihydroxy-11(13)-germacren-12,6-olide, 8-(2-Methylpropanoyl) C19H28O6 352.188588 NA MeJP NA NA +MJ043104 3,4,5-Trihydroxybenzoic acid; 3-O-Dodecanoyl C19H28O6 352.188588 NA MeJP NA NA +MJ043105 3,8,10-Trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) C19H28O6 352.188588 NA MeJP NA NA +MJ043106 4,15-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro, di-Ac C19H28O6 352.188588 NA MeJP NA NA +MJ043107 6-Acetyl-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3,4,5,7-tetrol, 4-Butyl, 5,7-di-Me ether C19H28O6 352.188588 NA MeJP NA NA +MJ043108 7-Hydroxy-14,15,16-trinor-3-clerodene-13,18-dioic acid, Ac C19H28O6 352.188588 NA MeJP NA NA +MJ043109 8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(3-Hydroxy-2-methylpropanoyl) C19H28O6 352.188588 NA MeJP NA NA +MJ043110 9(12)-Capnellene-2,5,8,10-tetrol, 2,5-Di-Ac C19H28O6 352.188588 NA MeJP NA NA +MJ043111 9(12)-Capnellene-3,8,10,14-tetrol, 3,14-Di-Ac C19H28O6 352.188588 NA MeJP NA NA +MJ043112 9,10-Dihydroxy-5-oxo-11(13)-germacren-12,8-olide, 8-(2-Methylpropanoyl) C19H28O6 352.188588 NA MeJP NA NA +MJ043113 ACRL Toxins; ACRL Toxin III C19H28O6 352.188588 NA MeJP NA NA +MJ043114 Gingerdiols; [4]-Gingerdiol, 3,5-Di-Ac C19H28O6 352.188588 NA MeJP NA NA +MJ043115 p-Mentha-1,3,5-triene-3,8,9,10-tetrol; 3-Me ether, 9,10-bis(2-methylpropanoyl) C19H28O6 352.188588 NA MeJP NA NA +MJ043116 p-Mentha-1,3,5-triene-3,8,9,10-tetrol; 9-(2-Methylbutanoyl), 10-(2-methylpropanoyl) C19H28O6 352.188588 NA MeJP NA NA +C07853 Clidinium C22H26NO3 352.1913 NA KEGG NA NA +C07854 Transferred to D00716 C22H26NO3 352.1913 NA KEGG NA NA +C07855 Transferred to D00717 C22H26NO3 352.1913 NA KEGG NA NA +C07856 Transferred to D00718 C22H26NO3 352.1913 NA KEGG NA NA +C07857 Transferred to D00719 C22H26NO3 352.1913 NA KEGG NA NA +C07858 Transferred to D00720 C22H26NO3 352.1913 NA KEGG NA NA +C07859 Transferred to D00721 C22H26NO3 352.1913 NA KEGG NA NA +C07860 Transferred to D00722 C22H26NO3 352.1913 NA KEGG NA NA +MJ043117 1-(4-Amino-5-chloro-2-methoxyphenyl)-3-(1-butyl-4-piperidinyl)-1-propanone C19H29ClN2O2 352.191755 NA MeJP NA NA +MJ043118 Fortimicin KL1 C13H28N4O7 352.195799 NA MeJP NA NA +C17973 Fortimicin KL1 C13H28N4O7 352.1958 NA KEGG NA NA +MJ043119 1,17-Diisothiocyanato-1,16-heptadecadiene, 1,2-Dihydro C19H32N2S2 352.20069 NA MeJP NA NA +MJ043120 11,17-Dihydroxy-6-methyl-17-(1-propynyl)androsta-1,4,6-trien-3-one C23H28O3 352.203844 NA MeJP NA NA +MJ043121 12-Hydroxycarda-8,14,16,20(22)-tetraenolide C23H28O3 352.203844 NA MeJP NA NA +MJ043122 16-Hydroxy-8-tricosene-4,6,17,19-tetraynoic acid C23H28O3 352.203844 NA MeJP NA NA +MJ043123 3-Hydroxycarda-8,14,16,20(22)-tetraenolide C23H28O3 352.203844 NA MeJP NA NA +MJ043124 8'-Oxo-6,8'-diapo-6-carotenoic acid, Me ester C23H28O3 352.203844 NA MeJP NA NA +MJ043125 Citreomontanin C23H28O3 352.203844 NA MeJP NA NA +EUR481 Leukotriene E4 F3 F3 352.205325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR481 Leukotriene E4 F3 NA 352.205325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR481 Leukotriene E4 F3 F3 352.205325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR481 Leukotriene E4 F3 NA 352.205325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR481 Leukotriene E4 F3 F3 352.205325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR481 Leukotriene E4 F3 NA 352.205325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR481 Leukotriene E4 F3 F3 352.205325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR481 Leukotriene E4 F3 F3 352.205325 standards wishlist analysés sur QTOF HMDB NA NA +EUR481 Leukotriene E4 F3 F3 352.205325 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR481 Leukotriene E4 F3 NA 352.205325 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR481 Leukotriene E4 F3 F3 352.205325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR481 Leukotriene E4 F3 F3 352.205325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ043126 Posatirelin C17H28N4O4 352.211055 NA MeJP NA NA +MJ043127 Akagerine; Et ether C22H28N2O2 352.215078 NA MeJP NA NA +MJ043128 Anileridine C22H28N2O2 352.215078 NA MeJP NA NA +MJ043129 Brefonalol C22H28N2O2 352.215078 NA MeJP NA NA +MJ043130 Encainide C22H28N2O2 352.215078 NA MeJP NA NA +MJ043131 Minovine; natural-form C22H28N2O2 352.215078 NA MeJP NA NA +MJ043132 Pleiocarpinine C22H28N2O2 352.215078 NA MeJP NA NA +MJ043133 Na-Methyl-2?,16?-dihydroakuammicine Nb-methosalt C22H29N2O2(+) 352.215078 NA MeJP NA NA +C06978 Encainide C22H28N2O2 352.2151 NA KEGG NA NA +MJ043134 (5Z,13E)-(15S)-6,9alpha-Epoxy-11alpha,15-dihydroxyprosta-5,13-dienoate C20H32O5 352.224974 NA MeJP NA NA +MJ043135 (5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate C20H32O5 352.224974 NA MeJP NA NA +MJ043136 15-Keto-prostaglandin F2alpha C20H32O5 352.224974 NA MeJP NA NA +MJ043137 Prostaglandin E2 C20H32O5 352.224974 NA MeJP NA NA +MJ043138 Prostaglandin H2 C20H32O5 352.224974 NA MeJP NA NA +MJ043139 Thromboxane A2 C20H32O5 352.224974 NA MeJP NA NA +MJ043140 1,10:4,5-Diepoxy-6,11-germacranediol, 6-(2-Methyl-2-butenoyl) C20H32O5 352.224974 NA MeJP NA NA +MJ043141 1,16,18,20-Tetrahydroxy-2,7(19),10,14-phytatetraen-6-one C20H32O5 352.224974 NA MeJP NA NA +MJ043142 10(20)-Grayanotoxene-3,5,6,14,16-pentol C20H32O5 352.224974 NA MeJP NA NA +MJ043143 10(20)-Leucothene-3,5,6,14,16-pentol C20H32O5 352.224974 NA MeJP NA NA +MJ043144 10,11,12-Trihydroxy-5,8,14,17-eicosatetraenoic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043145 11,15-Dihydroxy-9-oxo-4,13-prostadienoic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043146 11,15-Dihydroxy-9-oxo-5,13-prostadienoic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043147 11-Hydroxy-14-(3,5-dihydroxy-2-methylcyclopentyl)-9-tetradecen-12-ynoic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043148 13,14,15-Trihydroxy-5,8,11,17-eicosatetraenoic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043149 13,16-Epoxy-3-clerodene-12,14,15,18-tetrol, 18-Aldehyde C20H32O5 352.224974 NA MeJP NA NA +MJ043150 15-Grayanotoxene-3,5,6,10,14-pentol C20H32O5 352.224974 NA MeJP NA NA +MJ043151 16,17,18-Trihydroxy-19-kauranoic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043152 17,18,19-Trihydroxy-13-labden-16,15-olide C20H32O5 352.224974 NA MeJP NA NA +MJ043153 2,6,10,14-Phytatetraene-1,18,19-triol, 6,7-Dihydro, 18,19-dicarboxylic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043154 2,6,10-Farnesatrien-1-oic acid; 2-Acetoxy-3-hydroxypropyl ester C20H32O5 352.224974 NA MeJP NA NA +MJ043155 2,6,10-Farnesatrien-1-oic acid; 3-Acetoxy-2-hydroxypropyl ester C20H32O5 352.224974 NA MeJP NA NA +MJ043156 2,7,19-Trihydroxy-14,15-dinor-8(17)-labden-13-one, 19-Ac C20H32O5 352.224974 NA MeJP NA NA +MJ043157 3,15,16-Trihydroxy-7-isopimaren-18-oic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043158 3,4,11-Trihydroxy-7,15(17)-cembradien-16,12-olide C20H32O5 352.224974 NA MeJP NA NA +MJ043159 3,4-Dihydroxy-13-cleroden-15,16-olide, 16?-Hydroxy C20H32O5 352.224974 NA MeJP NA NA +MJ043160 3,5,12-Trihydroxy-6,8,10,14-eicosatetraenoic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043161 3,5,16-Trihydroxy-13-halimen-15,16-olide C20H32O5 352.224974 NA MeJP NA NA +MJ043162 3,6,14,16-Tetrahydroxy-5,10-seco-1(10)-kauren-5-one C20H32O5 352.224974 NA MeJP NA NA +MJ043163 3,8-Dihydroxy-17-oxo-13-labden-15-oic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043164 3-Clerodene-15,18,19-triol, 15,18-Dicarboxylic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043165 3-Hydroxyportulol ether; 3-Deoxy, 19-oxo C20H32O5 352.224974 NA MeJP NA NA +MJ043166 4,11,12-Trihydroxy-7-cembren-16,3-olide, 15,17-Didehydro C20H32O5 352.224974 NA MeJP NA NA +MJ043167 4,6,8-Trihydroxy-11-capnosene-2,10-dione C20H32O5 352.224974 NA MeJP NA NA +MJ043168 4,8,11-Trihydroxy-12-cembren-16,3-olide, 15,17-Didehydro C20H32O5 352.224974 NA MeJP NA NA +MJ043169 5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid, 19-Hydroxy C20H32O5 352.224974 NA MeJP NA NA +MJ043170 5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid, 20-Hydroxy C20H32O5 352.224974 NA MeJP NA NA +MJ043171 5,14,15-Trihydroxy-6,8,10,12-eicosatetraenoic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043172 5,6,15-Trihydroxy-7,9,11,13-eicosatetraenoic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043173 6,7,17-Trihydroxy-19-kauranoic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043174 7,12,14,18-Tetrahydroxy-15-kauranone C20H32O5 352.224974 NA MeJP NA NA +MJ043175 7,16,17-Trihydroxy-19-kauranoic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043176 7,18-Dihydroxy-8(17)-labden-15-oic acid, 18-Carboxylic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043177 7,8,14-Trihydroxy-15-isopimaren-18-oic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043178 7,8-Dihydroxy-14,15-dinor-11-labden-13-one, 6?-Acetoxy C20H32O5 352.224974 NA MeJP NA NA +MJ043179 7,8-Dihydroxy-14,15-dinor-11-labden-13-one, 6?-Hydroxy, 7-Ac C20H32O5 352.224974 NA MeJP NA NA +MJ043180 7,8:14,16-Diepoxy-2,3,15-pimaranetriol C20H32O5 352.224974 NA MeJP NA NA +MJ043181 7,8:9,13-Diepoxy-17-hydroxy-15-labdanoic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043182 7,9,11-Trihydroxy-8(14)-abieten-18-oic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043183 8(14)-Abietene-7,12,13,18-tetrol, 18-Carboxylic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043184 8(14)-Abietene-7,13,15,18-tetrol, 18-Carboxylic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043185 8,13-Epoxy-2,3-seco-14-labdene-2,3-dioic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043186 8,13-Epoxy-6,7,9-trihydroxy-14-labden-11-one C20H32O5 352.224974 NA MeJP NA NA +MJ043187 8,14,15-Trihydroxy-13(16)-labden-19-oic acid, 14-Ketone C20H32O5 352.224974 NA MeJP NA NA +MJ043188 9,11,15-Trihydroxyprost-5-en-13-ynoic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043189 9,11-Dihydroxy-15-oxo-5,13-prostadienoic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043190 9,13-Epoxy-3,18-dihydroxy-15,16-labdanolide C20H32O5 352.224974 NA MeJP NA NA +MJ043191 9,13:15,16-Diepoxy-6,15-dihydroxy-7-labdanone C20H32O5 352.224974 NA MeJP NA NA +MJ043192 9,13:15,16-Diepoxy-7,15-dihydroxy-6-labdanone C20H32O5 352.224974 NA MeJP NA NA +MJ043193 9,15-Dihydroxy-11-oxo-5,13-prostadienoic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043194 9,16,17-Trihydroxy-19-kauranoic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043195 9-Grayanotoxene-3,5,6,14,16-pentol C20H32O5 352.224974 NA MeJP NA NA +MJ043196 Acanthoaustralide; 17-Hydroxy C20H32O5 352.224974 NA MeJP NA NA +MJ043197 Baclinic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043198 Camporic acid C20H32O5 352.224974 NA MeJP NA NA +MJ043199 Cinncassiol D1 C20H32O5 352.224974 NA MeJP NA NA +MJ043200 Cinncassiol D4 C20H32O5 352.224974 NA MeJP NA NA +MJ043201 Levuglandin D2 C20H32O5 352.224974 NA MeJP NA NA +MJ043202 Levuglandin E2 C20H32O5 352.224974 NA MeJP NA NA +MJ043203 Membrenone B C20H32O5 352.224974 NA MeJP NA NA +MJ043204 Monocyclofarnesoic acid; (1-Acetoxy-3-hydroxy-2-propyl) ester (S-) C20H32O5 352.224974 NA MeJP NA NA +MJ043205 Narbomycin; Aglycone C20H32O5 352.224974 NA MeJP NA NA +MJ043206 Neorustmicin C C20H32O5 352.224974 NA MeJP NA NA +MJ043207 Neorustmicin D C20H32O5 352.224974 NA MeJP NA NA +MJ043208 Portulal; 5?-Hydroxy C20H32O5 352.224974 NA MeJP NA NA +MJ043209 Portulene; ?2-Isomer, 4?-hydroxy C20H32O5 352.224974 NA MeJP NA NA +MJ043210 Prostacyclin C20H32O5 352.224974 NA MeJP NA NA +MJ043211 Prostaglandin H2 C20H32O5 352.224974 NA MeJP NA NA +MJ043212 Strictanonoic acid C20H32O5 352.224974 NA MeJP NA NA +MetaCyc03125 (5Z)-(15S)-11-α-hydroxy-9,15-dioxoprosta-13-enoate [] C20H32O5 352.224974 NA metacyc NA NA +MetaCyc03126 (5Z,13E)-(15S)-9α,11α-epoxy-15-hydroxythromboxa-5,13-dienoate [thromboxane A2;(5Z, 9α,11 α,13E,15S)-9,11-epoxy-15-hydroxythromboxa- 5,13-dien-1-oic acid;] C20H32O5 352.224974 NA metacyc NA NA +MetaCyc03127 (5Z)-(15S)-11-α-hydroxy-9,15-dioxoprostanoate [] C20H32O5 352.224974 NA metacyc NA NA +MetaCyc03128 (5Z,13E)-(15S)-11,15-dihydroxy-9-oxoprosta-5,13-dienoate [Dinoprostone;(5Z,13E)-(15S)-11α,15-dihydroxy-9-oxoprosta-5,13-dienoate;] C20H32O5 352.224974 NA metacyc NA NA +MetaCyc03129 (5Z,13E)-(15S)-11-α,15-dihydroxy-9-oxoprost-13-enoate [(5Z,13E)-(15S)-11α,15-dihydroxy-9-oxoprosta-5,13-dienoate;Prostglandin E2;Dinoprostone;] C20H32O5 352.224974 NA metacyc NA NA +MetaCyc03130 (5Z,13E)-(15S)-11-α,15-dihydroxy-9-oxoprosta-5,13-dienoate [] C20H32O5 352.224974 363-24-6 metacyc NA NA +MetaCyc03131 (6Z,8E,10E,14Z)-(5S,12R)-5,12,20-Trihydroxyicosa-6,8,10,14- tetraenoate [20-OH-Leukotriene B4;20-OH-LTB4;(6Z,8E,10E,14Z)-(5S,12R)-5,12,20-Trihydroxyeicosa-6,8,10,14- tetraenoate;] C20H32O5 352.224974 NA metacyc NA NA +MetaCyc03132 (13E)-11-α-hydroxy-9,15-dioxoprost-13-enoate [] C20H32O5 352.224974 NA metacyc NA NA +MetaCyc03133 prostaglandin-H2 [(5Z, 13E)-(15S)-9α,11α-epidioxy-15-hydroxyprosta-5,13-dienoate;] C20H32O5 352.224974 42935-17-1 metacyc NA NA +MetaCyc03134 (5z,13e)-(15s)-9-α,15-dihydroxy-11-oxoprosta-5,13-dienoate [prostaglandin D2;] C20H32O5 352.224974 41598-07-6 metacyc NA NA +MetaCyc03135 (5z,13e)-(15s)-6,9-α-epoxy-11-α,15-dihydroxyprosta-5,13-dienoate [prostaglandin I2;prostacyclin;PGI2;] C20H32O5 352.224974 35121-78-9 metacyc NA NA +EUR135 lipoxinA4 C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR136 lipoxinB4 C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR161 15-keto-Prostaglandin-F2a(15-keto-PGF2a) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR172 ProstaglandinD2(PGD2) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR176 ProstaglandinE2(PGE2) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR181 ProstaglandinF3a(PGF3a) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR183 ProstaglandinH2(PGH2) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR184 ProstaglandinI2(prostacyclin) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR187 ThromboxaneA2 C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR135 lipoxinA4 C20H32O5 352.224975 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR136 lipoxinB4 C20H32O5 352.224975 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR161 15-keto-Prostaglandin-F2a(15-keto-PGF2a) C20H32O5 352.224975 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR172 ProstaglandinD2(PGD2) C20H32O5 352.224975 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR176 ProstaglandinE2(PGE2) C20H32O5 352.224975 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR181 ProstaglandinF3a(PGF3a) C20H32O5 352.224975 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR183 ProstaglandinH2(PGH2) C20H32O5 352.224975 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR184 ProstaglandinI2(prostacyclin) C20H32O5 352.224975 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR187 ThromboxaneA2 C20H32O5 352.224975 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR135 lipoxinA4 C20H32O5 352.224975 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR136 lipoxinB4 C20H32O5 352.224975 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR161 15-keto-Prostaglandin-F2a(15-keto-PGF2a) C20H32O5 352.224975 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR172 ProstaglandinD2(PGD2) C20H32O5 352.224975 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR176 ProstaglandinE2(PGE2) C20H32O5 352.224975 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR181 ProstaglandinF3a(PGF3a) C20H32O5 352.224975 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR183 ProstaglandinH2(PGH2) C20H32O5 352.224975 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR184 ProstaglandinI2(prostacyclin) C20H32O5 352.224975 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR187 ThromboxaneA2 C20H32O5 352.224975 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR135 lipoxinA4 C20H32O5 352.224975 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR136 lipoxinB4 C20H32O5 352.224975 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR161 15-keto-Prostaglandin-F2a(15-keto-PGF2a) C20H32O5 352.224975 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR172 ProstaglandinD2(PGD2) C20H32O5 352.224975 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR176 ProstaglandinE2(PGE2) C20H32O5 352.224975 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR181 ProstaglandinF3a(PGF3a) C20H32O5 352.224975 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR183 ProstaglandinH2(PGH2) C20H32O5 352.224975 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR184 ProstaglandinI2(prostacyclin) C20H32O5 352.224975 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR187 ThromboxaneA2 C20H32O5 352.224975 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR135 lipoxinA4 C20H32O5 352.224975 Wishlist HMDB NA NA +EUR136 lipoxinB4 C20H32O5 352.224975 Wishlist HMDB NA NA +EUR161 15-keto-Prostaglandin-F2a(15-keto-PGF2a) C20H32O5 352.224975 Wishlist HMDB NA NA +EUR172 ProstaglandinD2(PGD2) C20H32O5 352.224975 Wishlist HMDB NA NA +EUR176 ProstaglandinE2(PGE2) C20H32O5 352.224975 Wishlist HMDB NA NA +EUR181 ProstaglandinF3a(PGF3a) C20H32O5 352.224975 Wishlist HMDB NA NA +EUR183 ProstaglandinH2(PGH2) C20H32O5 352.224975 Wishlist HMDB NA NA +EUR184 ProstaglandinI2(prostacyclin) C20H32O5 352.224975 Wishlist HMDB NA NA +EUR187 ThromboxaneA2 C20H32O5 352.224975 Wishlist HMDB NA NA +EUR135 lipoxinA4 C20H32O5 352.224975 Wishlist Inhouse_PFEM NA NA +EUR136 lipoxinB4 C20H32O5 352.224975 Wishlist Inhouse_PFEM NA NA +EUR161 15-keto-Prostaglandin-F2a(15-keto-PGF2a) C20H32O5 352.224975 Wishlist Inhouse_PFEM NA NA +EUR172 ProstaglandinD2(PGD2) C20H32O5 352.224975 Wishlist Inhouse_PFEM NA NA +EUR176 ProstaglandinE2(PGE2) C20H32O5 352.224975 Wishlist Inhouse_PFEM NA NA +EUR181 ProstaglandinF3a(PGF3a) C20H32O5 352.224975 Wishlist Inhouse_PFEM NA NA +EUR183 ProstaglandinH2(PGH2) C20H32O5 352.224975 Wishlist Inhouse_PFEM NA NA +EUR184 ProstaglandinI2(prostacyclin) C20H32O5 352.224975 Wishlist Inhouse_PFEM NA NA +EUR187 ThromboxaneA2 C20H32O5 352.224975 Wishlist Inhouse_PFEM NA NA +EUR135 lipoxinA4 C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR136 lipoxinB4 C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR161 15-keto-Prostaglandin-F2a(15-keto-PGF2a) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR172 ProstaglandinD2(PGD2) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR176 ProstaglandinE2(PGE2) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR181 ProstaglandinF3a(PGF3a) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR183 ProstaglandinH2(PGH2) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR184 ProstaglandinI2(prostacyclin) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR187 ThromboxaneA2 C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR135 lipoxinA4 C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR136 lipoxinB4 C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR161 15-keto-Prostaglandin-F2a(15-keto-PGF2a) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR172 ProstaglandinD2(PGD2) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR176 ProstaglandinE2(PGE2) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR181 ProstaglandinF3a(PGF3a) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR183 ProstaglandinH2(PGH2) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR184 ProstaglandinI2(prostacyclin) C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR187 ThromboxaneA2 C20H32O5 352.224975 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB01220 Prostaglandin E2 C20H32O5 352.224976 NA HMDB2010 NA NA +HMDB01320 (13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid C20H32O5 352.224976 NA HMDB2010 NA NA +HMDB01335 Prostaglandin I2 C20H32O5 352.224976 NA HMDB2010 NA NA +HMDB01381 Prostaglandin H2 C20H32O5 352.224976 NA HMDB2010 NA NA +HMDB01403 Prostaglandin D2 C20H32O5 352.224976 NA HMDB2010 NA NA +HMDB01452 Thromboxane A2 C20H32O5 352.224976 NA HMDB2010 NA NA +HMDB01509 20-Hydroxy-leukotriene B4 C20H32O5 352.224976 NA HMDB2010 NA NA +HMDB02122 Prostaglandin F3a C20H32O5 352.224976 NA HMDB2010 NA NA +HMDB02132 8-iso-PGF3a C20H32O5 352.224976 NA HMDB2010 NA NA +HMDB02363 Levuglandin E2 C20H32O5 352.224976 NA HMDB2010 NA NA +HMDB02400 Levuglandin D2 C20H32O5 352.224976 NA HMDB2010 NA NA +HMDB02776 13,14-Dihydro-15-keto-PGE2 C20H32O5 352.224976 NA HMDB2010 NA NA +HMDB04240 15-Keto-prostaglandin F2a C20H32O5 352.224976 NA HMDB2010 NA NA +HMDB04385 Lipoxin A4 C20H32O5 352.224976 NA HMDB2010 NA NA +HMDB05077 8-iso-15-keto-PGF2a C20H32O5 352.224976 NA HMDB2010 NA NA +HMDB05082 Lipoxin B4 C20H32O5 352.224976 NA HMDB2010 NA NA +HMDB05844 8-isoprostaglandin E2 C20H32O5 352.224976 NA HMDB2010 NA NA +HMDB01509 20-Hydroxy-leukotriene B4 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB01509 PFEM_hmdb_metabocards_urine NA urine +HMDB01220 Dinoprostone C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB01220 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01452 Thromboxane A2 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB01452 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02776 13,14-Dihydro-15-keto-PGE2 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB02776 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04240 15-Keto-prostaglandin F2alpha C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB04240 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04385 Lipoxin A4 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB04385 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01509 20-Hydroxy-leukotriene B4 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB01509 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01509 20-Hydroxy-leukotriene B4 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB01509 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01220 Dinoprostone C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB01220 HMDB NA NA +HMDB01320 (13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB01320 HMDB NA NA +HMDB01335 Prostaglandin I2 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB01335 HMDB NA NA +HMDB01381 Prostaglandin H2 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB01381 HMDB NA NA +HMDB01403 Prostaglandin D2 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB01403 HMDB NA NA +HMDB01452 Thromboxane A2 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB01452 HMDB NA NA +HMDB01509 20-Hydroxy-leukotriene B4 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB01509 HMDB NA NA +HMDB02122 Prostaglandin F3alpha C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB02122 HMDB NA NA +HMDB02132 8-iso-PGF3alpha C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB02132 HMDB NA NA +HMDB02363 Levuglandin E2 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB02363 HMDB NA NA +HMDB02400 Levuglandin D2 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB02400 HMDB NA NA +HMDB02776 13,14-Dihydro-15-keto-PGE2 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB02776 HMDB NA NA +HMDB04240 15-Keto-prostaglandin F2alpha C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB04240 HMDB NA NA +HMDB04385 Lipoxin A4 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB04385 HMDB NA NA +HMDB05077 8-iso-15-keto-PGF2alpha C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB05077 HMDB NA NA +HMDB05082 Lipoxin B4 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB05082 HMDB NA NA +HMDB05844 8-isoprostaglandin E2 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB05844 HMDB NA NA +HMDB01220 Dinoprostone C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB01220 PFEM_hmdb_metabocards_blood NA blood +HMDB01452 Thromboxane A2 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB01452 PFEM_hmdb_metabocards_blood NA blood +HMDB02776 13,14-Dihydro-15-keto-PGE2 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB02776 PFEM_hmdb_metabocards_blood NA blood +HMDB04240 15-Keto-prostaglandin F2alpha C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB04240 PFEM_hmdb_metabocards_blood NA blood +HMDB04385 Lipoxin A4 C20H32O5 352.22498 http://www.hmdb.ca/metabolites/HMDB04385 PFEM_hmdb_metabocards_blood NA blood +HMDB01220 Dinoprostone C20H32O5 352.22498 HMDB01220 PFEM_hmdb_metabocards_official NA NA +HMDB01320 (13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid C20H32O5 352.22498 HMDB01320 PFEM_hmdb_metabocards_official NA NA +HMDB01335 Prostaglandin I2 C20H32O5 352.22498 HMDB01335 PFEM_hmdb_metabocards_official NA NA +HMDB01381 Prostaglandin H2 C20H32O5 352.22498 HMDB01381 PFEM_hmdb_metabocards_official NA NA +HMDB01403 Prostaglandin D2 C20H32O5 352.22498 HMDB01403 PFEM_hmdb_metabocards_official NA NA +HMDB01452 Thromboxane A2 C20H32O5 352.22498 HMDB01452 PFEM_hmdb_metabocards_official NA NA +HMDB01509 20-Hydroxy-leukotriene B4 C20H32O5 352.22498 HMDB01509 PFEM_hmdb_metabocards_official NA NA +HMDB02122 Prostaglandin F3alpha C20H32O5 352.22498 HMDB02122 PFEM_hmdb_metabocards_official NA NA +HMDB02132 8-iso-PGF3alpha C20H32O5 352.22498 HMDB02132 PFEM_hmdb_metabocards_official NA NA +HMDB02363 Levuglandin E2 C20H32O5 352.22498 HMDB02363 PFEM_hmdb_metabocards_official NA NA +HMDB02400 Levuglandin D2 C20H32O5 352.22498 HMDB02400 PFEM_hmdb_metabocards_official NA NA +HMDB02776 13,14-Dihydro-15-keto-PGE2 C20H32O5 352.22498 HMDB02776 PFEM_hmdb_metabocards_official NA NA +HMDB04240 15-Keto-prostaglandin F2alpha C20H32O5 352.22498 HMDB04240 PFEM_hmdb_metabocards_official NA NA +HMDB04385 Lipoxin A4 C20H32O5 352.22498 HMDB04385 PFEM_hmdb_metabocards_official NA NA +HMDB05077 8-iso-15-keto-PGF2alpha C20H32O5 352.22498 HMDB05077 PFEM_hmdb_metabocards_official NA NA +HMDB05082 Lipoxin B4 C20H32O5 352.22498 HMDB05082 PFEM_hmdb_metabocards_official NA NA +HMDB05844 8-isoprostaglandin E2 C20H32O5 352.22498 HMDB05844 PFEM_hmdb_metabocards_official NA NA +EUR135 lipoxinA4 C20H32O5 352.225 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR136 lipoxinB4 C20H32O5 352.225 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR161 15-keto-Prostaglandin-F2a(15-keto-PGF2a) C20H32O5 352.225 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR172 ProstaglandinD2(PGD2) C20H32O5 352.225 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR176 ProstaglandinE2(PGE2) C20H32O5 352.225 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR181 ProstaglandinF3a(PGF3a) C20H32O5 352.225 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR183 ProstaglandinH2(PGH2) C20H32O5 352.225 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR184 ProstaglandinI2(prostacyclin) C20H32O5 352.225 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR187 thromboxaneA2 C20H32O5 352.225 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR135 lipoxinA4 C20H32O5 352.225 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR136 lipoxinB4 C20H32O5 352.225 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR161 15-keto-Prostaglandin-F2a(15-keto-PGF2a) C20H32O5 352.225 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR172 ProstaglandinD2(PGD2) C20H32O5 352.225 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR176 ProstaglandinE2(PGE2) C20H32O5 352.225 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR181 ProstaglandinF3a(PGF3a) C20H32O5 352.225 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR183 ProstaglandinH2(PGH2) C20H32O5 352.225 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR184 ProstaglandinI2(prostacyclin) C20H32O5 352.225 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR187 thromboxaneA2 C20H32O5 352.225 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR135 lipoxinA4 C20H32O5 352.225 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR136 lipoxinB4 C20H32O5 352.225 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR161 15-keto-Prostaglandin-F2a(15-keto-PGF2a) C20H32O5 352.225 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR172 ProstaglandinD2(PGD2) C20H32O5 352.225 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR176 ProstaglandinE2(PGE2) C20H32O5 352.225 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR181 ProstaglandinF3a(PGF3a) C20H32O5 352.225 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR183 ProstaglandinH2(PGH2) C20H32O5 352.225 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR184 ProstaglandinI2(prostacyclin) C20H32O5 352.225 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR187 thromboxaneA2 C20H32O5 352.225 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR135 lipoxinA4 C20H32O5 352.225 Wishlist Inhousejuil11 NA NA +EUR136 lipoxinB4 C20H32O5 352.225 Wishlist Inhousejuil11 NA NA +EUR161 15-keto-Prostaglandin-F2a(15-keto-PGF2a) C20H32O5 352.225 Wishlist Inhousejuil11 NA NA +EUR172 ProstaglandinD2(PGD2) C20H32O5 352.225 Wishlist Inhousejuil11 NA NA +EUR176 ProstaglandinE2(PGE2) C20H32O5 352.225 Wishlist Inhousejuil11 NA NA +EUR181 ProstaglandinF3a(PGF3a) C20H32O5 352.225 Wishlist Inhousejuil11 NA NA +EUR183 ProstaglandinH2(PGH2) C20H32O5 352.225 Wishlist Inhousejuil11 NA NA +EUR184 ProstaglandinI2(prostacyclin) C20H32O5 352.225 Wishlist Inhousejuil11 NA NA +EUR187 thromboxaneA2 C20H32O5 352.225 Wishlist Inhousejuil11 NA NA +C00427 Prostaglandin H2 C20H32O5 352.225 NA KEGG NA NA +C00584 Prostaglandin E2 C20H32O5 352.225 NA KEGG NA NA +C00585 Protein tyrosine C10H10N2O3R2 352.225 NA KEGG NA NA +C00696 Prostaglandin D2 C20H32O5 352.225 NA KEGG NA NA +C01312 Prostaglandin I2 C20H32O5 352.225 NA KEGG NA NA +C02198 Thromboxane A2 C20H32O5 352.225 NA KEGG NA NA +C04654 (13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate C20H32O5 352.225 NA KEGG NA NA +C04671 (5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprostanoate C20H32O5 352.225 NA KEGG NA NA +C04853 20-OH-Leukotriene B4 C20H32O5 352.225 NA KEGG NA NA +C04855 alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D- C20H34NO16R 352.225 NA KEGG NA NA +C05960 15-Keto-prostaglandin F2alpha C20H32O5 352.225 NA KEGG NA NA +C06314 Lipoxin A4 C20H32O5 352.225 NA KEGG NA NA +C06315 Lipoxin B4 C20H32O5 352.225 NA KEGG NA NA +C06476 Prostaglandin F3alpha C20H32O5 352.225 NA KEGG NA NA +C11997 Narbonolide C20H32O5 352.225 NA KEGG NA NA +C13807 Levuglandin E2 C20H32O5 352.225 NA KEGG NA NA +C13808 Levuglandin D2 C20H32O5 352.225 NA KEGG NA NA +C17652 Cinncassiol D1 C20H32O5 352.225 NA KEGG NA NA +C17656 Cinncassiol D4 C20H32O5 352.225 NA KEGG NA NA +EUR474 15ketoProstaglandinF2? F1 NA 352.225125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR474 15ketoProstaglandinF2? F1 NA 352.225125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR474 15ketoProstaglandinF2? F1 NA 352.225125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR474 15ketoProstaglandinF2? F1 NA 352.225125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR474 15ketoProstaglandinF2? F1 NA 352.225125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR474 15ketoProstaglandinF2? F1 NA 352.225125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR474 15ketoProstaglandinF2? F1 NA 352.225125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR474 15ketoProstaglandinF2? F1 NA 352.225125 standards wishlist analysés sur QTOF HMDB NA NA +EUR474 15ketoProstaglandinF2? F1 NA 352.225125 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR474 15ketoProstaglandinF2? F1 NA 352.225125 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR474 15ketoProstaglandinF2? F1 NA 352.225125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR474 15ketoProstaglandinF2? F1 NA 352.225125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ043213 Betoxycaine C19H32N2O4 352.236207 NA MeJP NA NA +MJ043214 1-(3-Hydroxyphenyl)-12-phenyl-2-dodecanone C24H32O2 352.24023 NA MeJP NA NA +MJ043215 5-(12-Phenyl-8-dodecenyl)-1,3-benzenediol C24H32O2 352.24023 NA MeJP NA NA +MJ043216 Plakotenin C24H32O2 352.24023 NA MeJP NA NA +MJ043217 Quinbolone C24H32O2 352.24023 NA MeJP NA NA +MJ043218 Moxaprindine C23H32N2O 352.251463 NA MeJP NA NA +MJ043219 Isopropamide(1+) C23H33N2O(+) 352.251463 NA MeJP NA NA +HMDB11539 MG(0:0/18:3(6Z,9Z,12Z)/0:0) C21H36O4 352.261353 NA HMDB2010 NA NA +HMDB11540 MG(0:0/18:3(9Z,12Z,15Z)/0:0) C21H36O4 352.261353 NA HMDB2010 NA NA +HMDB11569 MG(18:3(6Z,9Z,12Z)/0:0/0:0) C21H36O4 352.261353 NA HMDB2010 NA NA +HMDB11570 MG(18:3(9Z,12Z,15Z)/0:0/0:0) C21H36O4 352.261353 NA HMDB2010 NA NA +MJ043220 Aphidicolin C21H36O4 352.261359 NA MeJP NA NA +MJ043221 1,7-Nonadecadiene-2,3-dicarboxylic acid C21H36O4 352.261359 NA MeJP NA NA +MJ043222 15,16-Epoxy-3-clerodene-7,15,18-triol, 15-Me ether C21H36O4 352.261359 NA MeJP NA NA +MJ043223 2,3-Dihydroxy-4(18)-cleroden-15-oic acid, Me ester C21H36O4 352.261359 NA MeJP NA NA +MJ043224 2-(7-Hexadecenyl)-3-methyl-2-butenedioic acid C21H36O4 352.261359 NA MeJP NA NA +MJ043225 3-(15-Hydroxyhexadecyl)-4-methyl-2,5-furandione C21H36O4 352.261359 NA MeJP NA NA +MJ043226 4,6,10-Triethyl-4,6-dihydroxy-8-methyl-2,7,11-tetradecatrienoic acid C21H36O4 352.261359 NA MeJP NA NA +MJ043227 4,6-Diethyl-6-(4-ethyl-2-methyl-1,5-octadienyl)-1,2-dioxane-3-acetic acid C21H36O4 352.261359 NA MeJP NA NA +MJ043228 4,6-Diethyl-6-(4-ethyl-2-methyl-5-octenyl)-3,6-dihydro-1,2-dioxin-3-acetic acid C21H36O4 352.261359 NA MeJP NA NA +MJ043229 7,15-Dihydroxy-8-labden-17-oic acid, 7-Me ether C21H36O4 352.261359 NA MeJP NA NA +MJ043230 Doxaprost C21H36O4 352.261359 NA MeJP NA NA +MJ043231 Ebelactone B C21H36O4 352.261359 NA MeJP NA NA +MJ043232 Gingerdiols; [10]-Gingerdiol C21H36O4 352.261359 NA MeJP NA NA +MJ043233 Glycerol 1-alkanoates; Glycerol 1-(9Z,12Z,15Z-octadecatrienoate) C21H36O4 352.261359 NA MeJP NA NA +MJ043234 Pregnane-2,3,16,20-tetrol C21H36O4 352.261359 NA MeJP NA NA +MJ043235 Pregnane-3,17,20,21-tetrol C21H36O4 352.261359 NA MeJP NA NA +MJ043236 Pretomentol C21H36O4 352.261359 NA MeJP NA NA +MJ043237 Prezoapatanol C21H36O4 352.261359 NA MeJP NA NA +MJ043238 Raspailynes; Isoraspailyne A C21H36O4 352.261359 NA MeJP NA NA +MJ043239 Raspailynes; Raspailyne A C21H36O4 352.261359 NA MeJP NA NA +MJ043240 Tomentanol C21H36O4 352.261359 NA MeJP NA NA +MJ043241 Tomentol C21H36O4 352.261359 NA MeJP NA NA +C09137 Montanol C21H36O4 352.2614 NA KEGG NA NA +C14879 17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta- C25H36O 352.2766 NA KEGG NA NA +MJ043242 10-Tricosenoic acid C23H44O2 352.33413 NA MeJP NA NA +MJ043243 16-Tricosenoic acid C23H44O2 352.33413 NA MeJP NA NA +MJ043244 17-Tricosenoic acid C23H44O2 352.33413 NA MeJP NA NA +MJ043245 18-Tricosenoic acid C23H44O2 352.33413 NA MeJP NA NA +MJ043246 4,6-Tricosanedione C23H44O2 352.33413 NA MeJP NA NA +MJ043247 6,8-Tricosanedione C23H44O2 352.33413 NA MeJP NA NA +MJ043248 8-Heneicosen-1-ol; Ac C23H44O2 352.33413 NA MeJP NA NA +MJ043249 Tetracosanal C24H48O 352.370516 NA MeJP NA NA +MJ043250 2-Methyltetracosane C25H52 352.406901 NA MeJP NA NA +MJ043251 9-Octylheptadecane C25H52 352.406901 NA MeJP NA NA +MJ043252 Pentacosane C25H52 352.406901 NA MeJP NA NA +3426 human beta-casein fr,56-61 QSLVYP 352.6785 MH2+ Inhouse_peptide NA peptide +C13478 Luliconazole C14H9Cl2N3S2 352.9615 NA KEGG NA NA +C13479 Transferred to D01981 C14H9Cl2N3S2 352.9615 NA KEGG NA NA +C13481 Transferred to D01983 C14H9Cl2N3S2 352.9615 NA KEGG NA NA +MJ043253 2'-Deoxy-5-iodocytidine C9H12IN3O4 352.987249 NA MeJP NA NA +MJ043254 Nitromersol C7H5HgNO3 352.997568 NA MeJP NA NA +MJ043255 Maleylsulfathiazole C13H11N3O5S2 353.014011 NA MeJP NA NA +MJ043256 Eudistomin C; Deoxy C14H16BrN3OS 353.019745 NA MeJP NA NA +MJ043257 Diclofenac; Carboxymethyl ester C16H13Cl2NO4 353.022163 NA MeJP NA NA +MJ043258 Quinfamide C16H13Cl2NO4 353.022163 NA MeJP NA NA +MJ043259 Butizide C11H16ClN3O4S2 353.027075 NA MeJP NA NA +MJ043260 4-[[(4-Bromophenyl)methyl]-4H-1,2,4-triazol-4-ylamino]benzonitrile C16H12BrN5 353.027608 NA MeJP NA NA +MJ043261 Daltroban C16H16ClNO4S 353.048856 NA MeJP NA NA +MJ043262 Flosulide C16H13F2NO4S 353.053335 NA MeJP NA NA +MJ043263 Meclofenamic acid; Ethoxymethyl ester C17H17Cl2NO3 353.058548 NA MeJP NA NA +MJ043264 Besulpamide C15H16ClN3O3S 353.060089 NA MeJP NA NA +MJ043265 Glyparamide C15H16ClN3O3S 353.060089 NA MeJP NA NA +CJneg0549 Ascorbic acid [(2M-H)]- (13C) C1113CH15O12 353.068125 C18rt(min)=1.04 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0549 Ascorbic acid [(2M-H)]- (13C) C1113CH15O12 353.068125 C18rt(min)=1.04 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +PJ000476 CCE C11H19N3O6S2 353.0715 NA PeJP NA NA +C01304 2,5-Diamino-6-(5'-phosphoribosylamino)-4-pyrimidineone C9H16N5O8P 353.0736 NA KEGG NA NA +C01306 N-Acetyl-beta-D-glucosaminyl-1,3-N-acetyl-D-galactosaminyl-R C16H27N2O11R 353.0736 NA KEGG NA NA +C01308 [3-Methyl-2-oxobutanoate dehydrogenase C4H7N2O6PR2 353.0736 NA KEGG NA NA +MJ043266 2,5-Diamino-6-hydroxy-4-(5'-phosphoribosylamino)-pyrimidine C9H16N5O8P 353.073649 NA MeJP NA NA +MetaCyc03136 2,5-diamino-6-(ribosylamino)-4-(3H)-pyrimidinone 5'-phosphate [2,5-diamino-6-hydroxy-4-(5-phosphoribosylamino)pyrimidine;DARP;] C9H16N5O8P1 353.073649 NA metacyc NA NA +C11741 SB 221284 C16H14F3N3OS 353.081 NA KEGG NA NA +C15664 B 823-08 C16H14F3N3OS 353.081 NA KEGG NA NA +C09634 Rugosinone C19H15NO6 353.0899 NA KEGG NA NA +MJ043267 1,2,6,7,9-Pentahydroxydibenz[cd,f]indol-4(5H)one; 1,2-Methylene, 6,7,9-tri-Me ether C19H15NO6 353.089937 NA MeJP NA NA +MJ043268 Acenocoumarol C19H15NO6 353.089937 NA MeJP NA NA +MJ043269 Aristored C19H15NO6 353.089937 NA MeJP NA NA +MJ043270 Rugosinone C19H15NO6 353.089937 NA MeJP NA NA +MJ043271 Stylopine, 13,14-Didehydro, 1,8?-dihydroxy C19H15NO6 353.089937 NA MeJP NA NA +MJ043272 Yagonine; 3'-O-De-Me C19H15NO6 353.089937 NA MeJP NA NA +MJ043273 4-Hydroxybenzyl isothiocyanate; O-(4-O-Acetyl-?-L-rhamnopyranoside) C16H19NO6S 353.093308 NA MeJP NA NA +MJ043274 Nuclotixene C21H20ClNS 353.100498 NA MeJP NA NA +PJ000477 TCM C12H23N3O5S2 353.1079 NA PeJP NA NA +MJ043275 Englitazone C20H19NO3S 353.108564 NA MeJP NA NA +MJ043276 2-Hydroxy-2-(3-hydroxyphenyl)acetic acid, Nitrile, 2-O-(6-O-acetyl-?-D-glucopyranoside) C16H19NO8 353.111066 NA MeJP NA NA +MJ043277 Sambucus nigra Degraded cyanogenic glycosides C16H19NO8 353.111066 NA MeJP NA NA +MetaCyc03137 2-oxindole-3-acetyl-hexose [] C16H19N1O8 353.111067 NA metacyc NA NA +MJ043278 N-[[3-[3-Fluoro-4-(4-thiomorpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide C16H20FN3O3S 353.12094 NA MeJP NA NA +C02138 Boc-Asn-OPhNO2 C15H19N3O7 353.1223 NA KEGG NA NA +PJ000478 GDY C15H19N3O7 353.1223 NA PeJP NA NA +C05189 Protopine C20H19NO5 353.1263 NA KEGG NA NA +C09599 Parfumine C20H19NO5 353.1263 NA KEGG NA NA +C12242 Chelidonine C20H19NO5 353.1263 NA KEGG NA NA +HMDB03920 Protopine C20H19NO5 353.12631 http://www.hmdb.ca/metabolites/HMDB03920 HMDB NA NA +HMDB03920 Protopine C20H19NO5 353.12631 HMDB03920 PFEM_hmdb_metabocards_official NA NA +HMDB03920 Protopine C20H19NO5 353.126312 NA HMDB2010 NA NA +MJ043279 Protopine C20H19NO5 353.126322 NA MeJP NA NA +MJ043280 3,12-Dihydro-6,11-dihydroxy-10-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-one C20H19NO5 353.126322 NA MeJP NA NA +MJ043281 8-Hydroxyberberine C20H19NO5 353.126322 NA MeJP NA NA +MJ043282 8-Oxopseudopalmatine; O2-De-Me C20H19NO5 353.126322 NA MeJP NA NA +MJ043283 ?-Amino-?-(2-carboxycyclopropyl)-9H-xanthene-9-propanoic acid C20H19NO5 353.126322 NA MeJP NA NA +MJ043284 Buxifoline, N-Formyl C20H19NO5 353.126322 NA MeJP NA NA +MJ043285 Canadine, 8-Oxo C20H19NO5 353.126322 NA MeJP NA NA +MJ043286 Chelidonine C20H19NO5 353.126322 NA MeJP NA NA +MJ043287 Citracridone III; 5-Me ether C20H19NO5 353.126322 NA MeJP NA NA +MJ043288 Corydalisol, 1''-Aldehyde C20H19NO5 353.126322 NA MeJP NA NA +MJ043289 Dauriporphine; 2,3-Dihydro C20H19NO5 353.126322 NA MeJP NA NA +MJ043290 Dioxamine; N-Me C20H19NO5 353.126322 NA MeJP NA NA +MJ043291 Duometacin C20H19NO5 353.126322 NA MeJP NA NA +MJ043292 Fumariline, (8R)-Alcohol C20H19NO5 353.126322 NA MeJP NA NA +MJ043293 Fumariline, 8-Alcohol C20H19NO5 353.126322 NA MeJP NA NA +MJ043294 Gouregine C20H19NO5 353.126322 NA MeJP NA NA +MJ043295 Guattescidine; 11-Methoxy, O9-Me C20H19NO5 353.126322 NA MeJP NA NA +MJ043296 Honyumine C20H19NO5 353.126322 NA MeJP NA NA +MJ043297 Hypecorine C20H19NO5 353.126322 NA MeJP NA NA +MJ043298 Imeluteine C20H19NO5 353.126322 NA MeJP NA NA +MJ043299 Isochelidonine C20H19NO5 353.126322 NA MeJP NA NA +MJ043300 Isoparfumine C20H19NO5 353.126322 NA MeJP NA NA +MJ043301 Lennoxamine C20H19NO5 353.126322 NA MeJP NA NA +MJ043302 Nantenine, N-De-Me, N-formyl C20H19NO5 353.126322 NA MeJP NA NA +MJ043303 Ocominarine C20H19NO5 353.126322 NA MeJP NA NA +MJ043304 Ophiocarpinone C20H19NO5 353.126322 NA MeJP NA NA +MJ043305 Papaveraldine C20H19NO5 353.126322 NA MeJP NA NA +MJ043306 Parfumine C20H19NO5 353.126322 NA MeJP NA NA +MJ043307 Protopine C20H19NO5 353.126322 NA MeJP NA NA +MJ043308 Pseudoprotopine C20H19NO5 353.126322 NA MeJP NA NA +MJ043309 Pyranofoline C20H19NO5 353.126322 NA MeJP NA NA +MJ043310 Sevanine; ?-Methoxy, Me ether C20H19NO5 353.126322 NA MeJP NA NA +MJ043311 Sonodione C20H19NO5 353.126322 NA MeJP NA NA +MJ043312 Thalimicrinone C20H19NO5 353.126322 NA MeJP NA NA +MJ043313 Anisocycline; 4,10-Di-O-de-Me C20H20NO5(+) 353.126322 NA MeJP NA NA +MJ043314 Papaveraldine; 3'-O-De-Me, N-Me C20H20NO5(+) 353.126322 NA MeJP NA NA +MJ043315 Stylopine, 13?-Hydroxy, N-Me C20H20NO5(+) 353.126322 NA MeJP NA NA +MetaCyc03138 protopine [] C20H19N1O5 353.126323 130-86-9 metacyc NA NA +MJ043316 Amopyroquine C20H20ClN3O 353.129489 NA MeJP NA NA +MJ043317 Dambullin; 12-Hydroxy C17H23NO5S 353.129693 NA MeJP NA NA +MetaCyc03139 cotinine-glucuronide [] C16H21N2O7 353.134876 NA metacyc NA NA +HMDB01013 Cotinineglucuronide C16H21N2O7 353.13489 http://www.hmdb.ca/metabolites/HMDB01013 HMDB NA NA +HMDB01013 Cotinineglucuronide C16H21N2O7 353.13489 HMDB01013 PFEM_hmdb_metabocards_official NA NA +PJ000479 GMF C16H23N3O4S 353.1409 NA PeJP NA NA +MJ043318 Dibupyrone C16H23N3O4S 353.140926 NA MeJP NA NA +MJ043319 Antibiotic AB 3217A C17H23NO7 353.147452 NA MeJP NA NA +MJ043320 Hackelidine; 7-Ac C17H23NO7 353.147452 NA MeJP NA NA +MJ043321 4-[[[[2-[4,5-Dihydro-2-(4-pyridinyl)-1H-imidazol-1-yl]ethyl]amino]carbonyl]amino]benzoic acid C18H19N5O3 353.148789 NA MeJP NA NA +MJ043322 Sopitazine C20H23N3OS 353.156183 NA MeJP NA NA +8035 synthetic peptide PHT 353.157 antibacterial Inhouse_peptide NA peptide +PJ000480 ATY C16H23N3O6 353.1587 NA PeJP NA NA +C09221 Melosatin A C21H23NO4 353.1627 NA KEGG NA NA +MJ043323 4-(5-Phenylpentyl)-1H-indole-2,3-dione; 6,7-Dimethoxy C21H23NO4 353.162708 NA MeJP NA NA +MJ043324 Capitavine; 2,3-Dihydro C21H23NO4 353.162708 NA MeJP NA NA +MJ043325 Carquinostatin A; 10S-Hydroxy C21H23NO4 353.162708 NA MeJP NA NA +MJ043326 Cavidine C21H23NO4 353.162708 NA MeJP NA NA +MJ043327 Dehydroglaucine C21H23NO4 353.162708 NA MeJP NA NA +MJ043328 Flavodilol C21H23NO4 353.162708 NA MeJP NA NA +MJ043329 Isopiline, Me ether, N-Ac C21H23NO4 353.162708 NA MeJP NA NA +MJ043330 N-Methylsecoglaucine; O1,O2-Di-de-Me, 1,2-methylene ether C21H23NO4 353.162708 NA MeJP NA NA +MJ043331 Thalicthuberine C21H23NO4 353.162708 NA MeJP NA NA +MJ043332 Thalictricavine C21H23NO4 353.162708 NA MeJP NA NA +MJ043333 Thalictrifoline C21H23NO4 353.162708 NA MeJP NA NA +MJ043334 Uvariopsine; 8-Methoxy C21H23NO4 353.162708 NA MeJP NA NA +MJ043335 Canadine, N-Me C21H24NO4(+) 353.162708 NA MeJP NA NA +MJ043336 Cheilanthifoline, Me ether, N-Me C21H24NO4(+) 353.162708 NA MeJP NA NA +MJ043337 Dicentrine, N-Me C21H24NO4(+) 353.162708 NA MeJP NA NA +MJ043338 Eschscholtzidine, N-Me C21H24NO4(+) 353.162708 NA MeJP NA NA +MJ043339 Nantenine, N-Me C21H24NO4(+) 353.162708 NA MeJP NA NA +MJ043340 Papaverine; N-Me C21H24NO4(+) 353.162708 NA MeJP NA NA +MJ043341 Reframoline, Me ether, N-Me C21H24NO4(+) 353.162708 NA MeJP NA NA +MJ043342 Takatonine C21H24NO4(+) 353.162708 NA MeJP NA NA +MJ043343 2-Ethyl-6-hydroxymethyl-3,4,5-piperidinetriol, 1''-O-?-D-Glucopyranoside C14H27NO9 353.168581 NA MeJP NA NA +C16447 Dihydrozeatin riboside C15H23N5O5 353.1699 NA KEGG NA NA +PJ000481 PTH C15H23N5O5 353.1699 NA PeJP NA NA +MJ043344 6-(4-Hydroxy-3-methylbutylamino)purine, 9-?-D-Ribofuranosyl C15H23N5O5 353.169918 NA MeJP NA NA +MJ043345 Makalika ester; 5-Oxo C19H28ClNO3 353.175771 NA MeJP NA NA +C17972 Fortimicin AO C13H27N3O8 353.1798 NA KEGG NA NA +MJ043346 Fortimicin AO C13H27N3O8 353.179814 NA MeJP NA NA +C10380 Rosmarinine C18H27NO6 353.1838 NA KEGG NA NA +MJ043347 Axillarine; 1'-Deoxy C18H27NO6 353.183837 NA MeJP NA NA +MJ043348 Axillarine; 12-Deoxy C18H27NO6 353.183837 NA MeJP NA NA +MJ043349 Axillarine; Stereoisomer, 1'-deoxy C18H27NO6 353.183837 NA MeJP NA NA +MJ043350 Bisline C18H27NO6 353.183837 NA MeJP NA NA +MJ043351 Crotalarine C18H27NO6 353.183837 NA MeJP NA NA +MJ043352 Nemorensine; N-Oxide C18H27NO6 353.183837 NA MeJP NA NA +MJ043353 Platyphylline; (15E)-Isomer, N-oxide C18H27NO6 353.183837 NA MeJP NA NA +MJ043354 Platyphylline; 14?-Hydroxy C18H27NO6 353.183837 NA MeJP NA NA +MJ043355 Platyphylline; 18-Hydroxy C18H27NO6 353.183837 NA MeJP NA NA +MJ043356 Platyphylline; 1?-Hydroxy C18H27NO6 353.183837 NA MeJP NA NA +MJ043357 Platyphyhylline; N-Oxide C18H27NO6 353.183837 NA MeJP NA NA +MJ043358 Retronecine 9-(2,3-dihydroxy-2-hydroxymethylbutanoate) 7-senecioate; 1'''-Deoxy C18H27NO6 353.183837 NA MeJP NA NA +MJ043359 Rosmarinine C18H27NO6 353.183837 NA MeJP NA NA +MJ043360 Sarracine; N-Oxide C18H27NO6 353.183837 NA MeJP NA NA +MJ043361 Senecicaudatin; O-(3-Methyl-2-butenoyl) C18H27NO6 353.183837 NA MeJP NA NA +MJ043362 Trichodesmine C18H27NO6 353.183837 NA MeJP NA NA +MJ043363 Trixolane C18H27NO6 353.183837 NA MeJP NA NA +MJ043364 Epiroprim C19H23N5O2 353.185175 NA MeJP NA NA +C12490 Butenafine hydrochloride C23H27N 353.191 NA KEGG NA NA +MJ043365 Carbazomadurin A C22H27NO3 353.199093 NA MeJP NA NA +MJ043366 Cyclostachine A C22H27NO3 353.199093 NA MeJP NA NA +MJ043367 Dioxaphetyl butyrate C22H27NO3 353.199093 NA MeJP NA NA +MJ043368 Holadienine; 14,15-Didehydro, 18-oxo, 16?-hydroxy C22H27NO3 353.199093 NA MeJP NA NA +MJ043369 N-(2,6-Dimethylphenyl)-3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxamide C22H27NO3 353.199093 NA MeJP NA NA +MJ043370 Neocarazostatin A; 1'-Deoxy C22H27NO3 353.199093 NA MeJP NA NA +MJ043371 Oxpheneridine C22H27NO3 353.199093 NA MeJP NA NA +MJ043372 Puupehenone; 15-Cyano C22H27NO3 353.199093 NA MeJP NA NA +MJ043373 Spiradine D; 11-Oxo C22H27NO3 353.199093 NA MeJP NA NA +MJ043374 Vincetene C22H27NO3 353.199093 NA MeJP NA NA +MJ043375 Zocainone C22H27NO3 353.199093 NA MeJP NA NA +C08711 Spiredine C22H27NO3 353.1991 NA KEGG NA NA +PJ000482 VVH C16H27N5O4 353.2063 NA PeJP NA NA +C07199 Methysergide C21H27N3O2 353.2103 NA KEGG NA NA +C10936 N-(2,6-Dimethylphenyl)-4-[[(diethylamino)acetyl]amino]benzamide C21H27N3O2 353.2103 NA KEGG NA NA +MJ043376 2-[2-(Diethylamino)ethyl]-N,N'-diphenylpropanediamide C21H27N3O2 353.210327 NA MeJP NA NA +MJ043377 Methysergide C21H27N3O2 353.210327 NA MeJP NA NA +MJ043378 Spermidine; N,N''-Dibenzoyl C21H27N3O2 353.210327 NA MeJP NA NA +MJ043379 Hodorine C19H31NO5 353.220223 NA MeJP NA NA +MJ043380 Isostemonidine C19H31NO5 353.220223 NA MeJP NA NA +MJ043381 Stemonidine C19H31NO5 353.220223 NA MeJP NA NA +MJ043382 3-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1H-indole; 8',9'-Dihydroxy C23H31NO2 353.235479 NA MeJP NA NA +MJ043383 Methadol, Ac C23H31NO2 353.235479 NA MeJP NA NA +MJ043384 Motretinide C23H31NO2 353.235479 NA MeJP NA NA +MJ043385 Proadifen C23H31NO2 353.235479 NA MeJP NA NA +C08012 Levomethadyl acetate C23H31NO2 353.2355 NA KEGG NA NA +C08013 Transferred to D00840 C23H31NO2 353.2355 NA KEGG NA NA +MJ043386 Tipropidil C20H35NO2S 353.23885 NA MeJP NA NA +MJ043387 Tridihexethyl(1+), Chloride C21H36ClNO 353.248542 NA MeJP NA NA +MJ043388 2-(3-Hydroxy-1-octenyl)-?-oxo-1-piperidineheptanoic acid C20H35NO4 353.256608 NA MeJP NA NA +MJ043389 2-(Aminomethyl)-2-propenoic acid; N-(2-Oxopentadecanoyl), Me ester C20H35NO4 353.256608 NA MeJP NA NA +MJ043390 4-(3-Hydroxy-1-octenyl)-1-methyl-2-oxo-3-pyrrolidineheptanoic acid C20H35NO4 353.256608 NA MeJP NA NA +MJ043391 Tumonoic acid A; Me ester C20H35NO4 353.256608 NA MeJP NA NA +C07055 Isopropamide C23H33N2O 353.2593 NA KEGG NA NA +MJ043392 Cyclomicrobuxeine K; N-De-Me C24H35NO 353.271864 NA MeJP NA NA +MJ043393 Cyclosuffrobuxinine M C24H35NO 353.271864 NA MeJP NA NA +MJ043394 (4-Dodecylbenzyl)trimethylammonium(1+); Chloride C22H40ClN 353.284927 NA MeJP NA NA +MJ043395 2-(Aminomethyl)-2-propenoic acid; N-(14-Methylpentadecanoyl), Me ester C21H39NO3 353.292994 NA MeJP NA NA +MJ043396 2-(Aminomethyl)-2-propenoic acid; N-Hexadecanoyl, Me ester C21H39NO3 353.292994 NA MeJP NA NA +MJ043397 1,1,3,3-Tetrabromo-1-propene C3H2Br4 353.689 NA MeJP NA NA +MJ043398 2,3-Dibromo-3-iodo-2-propenoic acid C3HBr2IO2 353.738797 NA MeJP NA NA +MJ043399 3,3-Dibromo-2-iodo-2-propenoic acid C3HBr2IO2 353.738797 NA MeJP NA NA +C15244 7-Hydroxy-1,2,3,6,8-pentachlorodibenzofuran C12H3Cl5O2 353.8576 NA KEGG NA NA +C18099 1,2,3,7,8-Pentachlorodibenzodioxin C12H3Cl5O2 353.8576 NA KEGG NA NA +MJ043400 2,2'-Thiobis[4,6-dichlorophenol] C12H6Cl4O2S 353.88426 NA MeJP NA NA +C07967 Bithionol C12H6Cl4O2S 353.8843 NA KEGG NA NA +C13748 9-Methyl-7-bromoeudistomin D C12H8Br2N2O 353.9003 NA KEGG NA NA +MJ043401 Pyrrolomycin B C11H6Cl4N2O3 353.913252 NA MeJP NA NA +MJ043402 1,4-Bis(3-bromo-1-oxopropyl)piperazine C10H16Br2N2O2 353.957853 NA MeJP NA NA +C07362 Pipobroman C10H16Br2N2O2 353.9579 NA KEGG NA NA +MJ043403 2'-Deoxy-5-iodouridine C9H11IN2O5 353.971264 NA MeJP NA NA +MetaCyc03140 2-carboxy-3-keto-D-arabinitol-1,5-bisphosphate [] C6H12O13P2 353.975313 NA metacyc NA NA +MJ043404 2,4-Dichloro-1,3,6-trihydroxy-8-methylxanthone; 3,6-Di-Me ether C16H12Cl2O5 354.006178 NA MeJP NA NA +MJ043405 2,4-Dichloro-1,5,8-trihydroxy-6-methylxanthone; 5,8-Di-Me ether C16H12Cl2O5 354.006178 NA MeJP NA NA +MJ043406 2,5-Dichloro-1,3,6-trihydroxy-8-methylxanthone; 3,6-Di-Me ether C16H12Cl2O5 354.006178 NA MeJP NA NA +MJ043407 2,7-Dichloro-1,3,6-trihydroxy-8-methylxanthone; 3,6-Di-Me ether C16H12Cl2O5 354.006178 NA MeJP NA NA +MJ043408 4,5-Dichloro-1,3,6-trihydroxy-8-methylxanthone; 3,6-Di-Me ether C16H12Cl2O5 354.006178 NA MeJP NA NA +MJ043409 Diploicin; 4,9-Bisdechloro C16H12Cl2O5 354.006178 NA MeJP NA NA +MJ043410 Urefibrate C15H12Cl2N2O4 354.017412 NA MeJP NA NA +MJ043411 3-(3,4-Dihydroxyphenyl)-2,7,8-trihydroxydibenzofuran-1,4-dione C18H10O8 354.037567 NA MeJP NA NA +MJ043412 5,7-Dihydroxy-3',4'-methylenedioxyflavone; 5,7-Di-O-formyl C18H10O8 354.037567 NA MeJP NA NA +MJ043413 Dothistromin; 2-Deoxy, 2,3-didehydro C18H10O8 354.037567 NA MeJP NA NA +MJ043414 Euphorbetin C18H10O8 354.037567 NA MeJP NA NA +MJ043415 Isoeuphorbetin C18H10O8 354.037567 NA MeJP NA NA +MJ043416 Variegatorubin; 3'-Deoxy C18H10O8 354.037567 NA MeJP NA NA +MJ043417 Xipamide C15H15ClN2O4S 354.044105 NA MeJP NA NA +C06499 WIN56291 C16H16Cl2N2O3 354.0538 NA KEGG NA NA +MJ043418 Phenolsulfonphthalein C19H14O5S 354.056194 NA MeJP NA NA +C12600 Phenolsulfonphthalein C19H14O5S 354.0562 NA KEGG NA NA +C12601 Transferred to D01201 C19H14O5S 354.0562 NA KEGG NA NA +C12602 Transferred to D01202 C19H14O5S 354.0562 NA KEGG NA NA +MJ043419 5-Amino-6-(5'-phosphoribosylamino)uracil C9H15N4O9P 354.057664 NA MeJP NA NA +MetaCyc03141 5-amino-6-(5'-phosphoribosylamino)uracil [5-amino-6-(ribosylamino)-2,4-(1H,3H)-pyrimidinedione 5'-phosphate;] C9H15N4O9P1 354.057665 NA metacyc NA NA +C01268 5-Amino-6-(5'-phosphoribosylamino)uracil C9H15N4O9P 354.0577 NA KEGG NA NA +MJ043420 1,2-Dihydroxy-1,2,3-propanetricarboxylic acid, 1-O-(4-Hydroxycinnamoyl)(E-) C15H14O10 354.058696 NA MeJP NA NA +MJ043421 Cestric acid C15H14O10 354.058696 NA MeJP NA NA +MetaCyc03142 2-caffeoylisocitrate [] C15H14O10 354.058697 NA metacyc NA NA +C02927 2-Caffeoylisocitrate C15H14O10 354.0587 NA KEGG NA NA +EUR302 Glutathione oxidized F4 F4 354.059175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR302 Gluthation oxyde F4 NA 354.059175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR302 Glutathione oxidized F4 F4 354.059175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR302 Gluthation oxyde F4 NA 354.059175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR302 Glutathione oxidized F4 F4 354.059175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR302 Gluthation oxyde F4 NA 354.059175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR302 Glutathione oxidized F4 F4 354.059175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR302 Glutathione oxidized F4 F4 354.059175 standards wishlist analysés sur QTOF HMDB NA NA +EUR302 Glutathione oxidized F4 F4 354.059175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR302 Gluthation oxyde F4 NA 354.059175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR302 Glutathione oxidized F4 F4 354.059175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR302 Glutathione oxidized F4 F4 354.059175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ043422 5a,6-Dehydrobisdethio-3,10a-bis(methylthio)gliotoxin C15H18N2O4S2 354.070798 NA MeJP NA NA +C07952 Chlorpromazine hydrochloride C17H19ClN2S 354.0724 NA KEGG NA NA +MJ043423 Palythine-serine; 7-O-Sulfate C11H18N2O9S 354.0733 NA MeJP NA NA +FL2FECNF0001 5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavanone C19H14O7 354.07395 78017-93-3 knapsack NA NA +FLIB1LNF0005 Erosenone C19H14O7 354.07395 66280-22-6 knapsack NA NA +MJ043424 1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 3'-Hydroxy, 2-deoxy, 4-Me ether C19H14O7 354.073952 NA MeJP NA NA +MJ043425 1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 3'-Hydroxy, 4-deoxy, 2-Me ether C19H14O7 354.073952 NA MeJP NA NA +MJ043426 3-Acetyl-4,5-dihydroxyanthraquinone-2-acetic acid; Me ester C19H14O7 354.073952 NA MeJP NA NA +MJ043427 5-Methoxysterigmatocystin C19H14O7 354.073952 NA MeJP NA NA +MJ043428 6-Aldehydoisoophiopogone A C19H14O7 354.073952 NA MeJP NA NA +MJ043429 7-Acetyl-1,3,6-trihydroxyanthraquinone; 3-Me ether, 6-Ac C19H14O7 354.073952 NA MeJP NA NA +MJ043430 Antibiotic C 122 VI; 2-(or3-) Hydroxy, O-de-Me C19H14O7 354.073952 NA MeJP NA NA +MJ043431 Antibiotic WS 5995B; 3'-Hydroxy C19H14O7 354.073952 NA MeJP NA NA +MJ043432 Aspertoxin C19H14O7 354.073952 NA MeJP NA NA +MJ043433 Austrocorticin C19H14O7 354.073952 NA MeJP NA NA +MJ043434 Dermolactone C19H14O7 354.073952 NA MeJP NA NA +MJ043435 Erosenone C19H14O7 354.073952 NA MeJP NA NA +MJ043436 Milletenin B; 5-Hydroxy C19H14O7 354.073952 NA MeJP NA NA +MJ043437 Rabelomycin; 5-Hydroxy C19H14O7 354.073952 NA MeJP NA NA +MetaCyc03143 5-methoxysterigmatocystin [] C19H14O7 354.073953 NA metacyc NA NA +MJ043438 Kumausyne C17H23BrO3 354.083057 NA MeJP NA NA +MJ043439 Laurencin C17H23BrO3 354.083057 NA MeJP NA NA +MJ043440 Niazidin C15H18N2O6S 354.088557 NA MeJP NA NA +C01313 (S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1- C15H18N2O6S 354.0886 NA KEGG NA NA +MJ043441 3-[[(2,4-Dichloro-6-methylphenyl)methyl]amino]-4-[(1,1-dimethylpropyl)amino]-3-cyclobutene-1,2-dione C17H20Cl2N2O2 354.090183 NA MeJP NA NA +MJ043442 Russupteridine yellow IV C12H14N6O7 354.092396 NA MeJP NA NA +MJ043443 Foeniculacin C20H18O4S 354.092579 NA MeJP NA NA +CJpos0767 Chlorogenic acid [(M+H)]+ C16H19O9 354.094575 C18rt(min)=5.52 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0767 Chlorogenic acid [(M+H)]+ C16H19O9 354.094575 C18rt(min)=5.52 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ043444 1-O-Caffeoylquinic acid C16H18O9 354.095082 NA MeJP NA NA +MJ043445 3-O-Caffeoylquinic acid C16H18O9 354.095082 NA MeJP NA NA +MJ043446 4,6-Dihydroxy-5-methyl-2H-1-benzopyran-2-one; 4-O-?-D-Glucopyranoside C16H18O9 354.095082 NA MeJP NA NA +MJ043447 4-O-Caffeoylquinic acid C16H18O9 354.095082 NA MeJP NA NA +MJ043448 5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one; 5-O-?-D-Glucopyranoside C16H18O9 354.095082 NA MeJP NA NA +MJ043449 5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one; 7-O-?-D-Glucopyranoside C16H18O9 354.095082 NA MeJP NA NA +MJ043450 5-O-Caffeoylquinic acid C16H18O9 354.095082 NA MeJP NA NA +MJ043451 6,7-Dihydroxy-4H-1-benzopyran-4-one; 6-Me ether, 7-?-D-glucopyranoside C16H18O9 354.095082 NA MeJP NA NA +MJ043452 6,7-Dihydroxy-4H-1-benzopyran-4-one; 6-Me ether, 7-O-?-D-galactopyranoside C16H18O9 354.095082 NA MeJP NA NA +MJ043453 6,8-Dihydroxy-3-methyl-1H-2-benzopyran-1-one; 8-O-?-D-Glucopyranoside C16H18O9 354.095082 NA MeJP NA NA +MJ043454 6-Glucosyl-5,7-dihydroxy-2-methyl-4H-1-benzopyran-4-one C16H18O9 354.095082 NA MeJP NA NA +MJ043455 6-Hydroxy-7-methoxy-2H-1-benzopyran-2-one; O-?-D-Glucopyranoside C16H18O9 354.095082 NA MeJP NA NA +MJ043456 7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-Me ether, 7-O-?-D-glucopyranoside C16H18O9 354.095082 NA MeJP NA NA +MJ043457 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-?-D-Glucopyranoside C16H18O9 354.095082 NA MeJP NA NA +MJ043458 Biflorin C16H18O9 354.095082 NA MeJP NA NA +MJ043459 Isobiflorin C16H18O9 354.095082 NA MeJP NA NA +MJ043460 Chlorogenate C16H18O9 354.095082 NA MeJP NA NA +MJ043461 Scopolin C16H18O9 354.095082 NA MeJP NA NA +MetaCyc03144 trans-5-O-caffeoyl-D-quinate [] C16H18O9 354.095082 NA metacyc NA NA +MetaCyc03145 scopolin [] C16H18O9 354.095082 531-44-2 metacyc NA NA +MetaCyc03146 chlorogenate [] C16H18O9 354.095082 327-97-9 metacyc NA NA +MetaCyc03147 caffeoylquinate [chlorogenate;chlorogenic acid;] C16H18O9 354.095082 NA metacyc NA NA +HMDB02336 Biflorin C16H18O9 354.09509 http://www.hmdb.ca/metabolites/HMDB02336 HMDB NA NA +HMDB03164 Chlorogenic acid C16H18O9 354.09509 http://www.hmdb.ca/metabolites/HMDB03164 HMDB NA NA +HMDB02336 Biflorin C16H18O9 354.09509 HMDB02336 PFEM_hmdb_metabocards_official NA NA +HMDB03164 Chlorogenic acid C16H18O9 354.09509 HMDB03164 PFEM_hmdb_metabocards_official NA NA +HMDB02336 Biflorin C16H18O9 354.095093 NA HMDB2010 NA NA +HMDB03164 Chlorogenic acid C16H18O9 354.095093 NA HMDB2010 NA NA +C00852 Chlorogenate C16H18O9 354.0951 NA KEGG NA NA +C01527 Scopolin C16H18O9 354.0951 NA KEGG NA NA +C08996 Biflorin C16H18O9 354.0951 NA KEGG NA NA +C17147 Neochlorogenic acid C16H18O9 354.0951 NA KEGG NA NA +JH221 Chlorogenic acid [M+H]+ C16H18O9 354.0952 11.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH221 Chlorogenic acid [M+H]+ C16H18O9 354.0952 11.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH221 Chlorogenic acid [M+H]+ C16H18O9 354.0952 11.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH221 Chlorogenic acid [M+H]+ C16H18O9 354.0952 11.5 Inhousejuil11 NA NA +CJneg0550 Chlorogenic acid [(M-H)]- C16H17O9 354.095625 C18rt(min)=5.52 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0550 Chlorogenic acid [(M-H)]- C16H17O9 354.095625 C18rt(min)=5.52 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ043462 2,2'-(9,10-Anthrylenedimethylene)bis(isothiourea) C18H18N4S2 354.097287 NA MeJP NA NA +C11035 S-53482 C19H15FN2O4 354.1016 NA KEGG NA NA +MJ043463 Nostoclide I; Mono-dechloro C21H19ClO3 354.102272 NA MeJP NA NA +MJ043464 3-(Hydroxymethyl)-1,4-dimethyl-3,6-bis(methylthio)-6-(phenylmethyl)-2,5-piperazinedione C16H22N2O3S2 354.107183 NA MeJP NA NA +C10207 Cyclokievitone C20H18O6 354.1103 NA KEGG NA NA +C10486 Licoisoflavone A C20H18O6 354.1103 NA KEGG NA NA +C10498 Luteone C20H18O6 354.1103 NA KEGG NA NA +C10627 Hinokinin C20H18O6 354.1103 NA KEGG NA NA +C10882 Sesamin C20H18O6 354.1103 NA KEGG NA NA +FL1B1CNF0001 Castillene C C20H18O6 354.11033 126585-62-4 knapsack NA NA +FL1CACNR0001 3',4'-Dihydrooxepino-6'-hydroxybutein C20H18O6 354.11033 104668-91-9 knapsack NA NA +FL1DHYNF0002 Ponganone IX;3-(1,3-Benzodioxol-5-yl)-3-methoxy-1-(4-methoxy-5-benzofuranyl)-1-propanone C20H18O6 354.11033 142608-95-5 knapsack NA NA +FL2FACNF0001 Velloeriodictyol C20H18O6 354.11033 152075-97-3 knapsack NA NA +FL2FACNP0001 Sigmoidin C C20H18O6 354.11033 101923-93-7 knapsack NA NA +FL2FALNP0001 Sanggenon F C20H18O6 354.11033 85889-03-8 knapsack NA NA +FL2FALNP0002 Sanggenon H C20H18O6 354.11033 86450-80-8 knapsack NA NA +FL3FAANI0005 Dinklagin C;(+)-5,7-Dihydroxy-6-(2-hydroxy-3-methyl-3-butenyl)-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C20H18O6 354.11033 487010-53-7 knapsack NA NA +FL3FAANI0006 Ephedroidin;(+)- 5,7-Dihydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C20H18O6 354.11033 215596-01-3 knapsack NA NA +FL3FAANP0008 Dinklagin B;(+)-3,4-Dihydro-3,5-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one C20H18O6 354.11033 487010-50-4 knapsack NA NA +FL3FACNI0001 5,7,3',4'-Tetrahydroxy-8-prenylflavone C20H18O6 354.11033 14926-12-6 knapsack NA NA +FL3FACNI0003 Gancaonin O;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C20H18O6 354.11033 129145-53-5 knapsack NA NA +FL3FALNI0002 Albanin A C20H18O6 354.11033 73343-42-7 knapsack NA NA +FL3FALNI0003 Artocarpesin;2',4',5,7-Tetrahydroxy-6-(3-methyl-2-butenyl)flavone;2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C20H18O6 354.11033 02/09/3162 knapsack NA NA +FL4DAANF0001 Shuterol C20H18O6 354.11033 105377-76-2 knapsack NA NA +FL4DAANF0002 3,5,4'-Trihydroxy-4'',5'',dihydro-5''-isopropenylfurano[2'',3'':7,8]flavanone C20H18O6 354.11033 124901-84-8 knapsack NA NA +FL4DAANP0001 3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone C20H18O6 354.11033 76265-12-8 knapsack NA NA +FL4DE9NF0001 3,5,6-Trimethoxy-[2'',3'':7,8]furanoflavanone C20H18O6 354.11033 179003-89-5 knapsack NA NA +FL5FAANI0001 Licoflavonol;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C20H18O6 354.11033 60197-60-6 knapsack NA NA +FL5FAANI0004 Noranhydroicaritin;8-Prenylkaempferol;De-O-methylanhydroicaritin;Desmethylicaritin;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C20H18O6 354.11033 28610-31-3 knapsack NA NA +FL5FAANI0007 Isolicoflavonol;3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one C20H18O6 354.11033 94805-83-1 knapsack NA NA +FL5FF9NI0005 Platanetin C20H18O6 354.11033 40451-44-3 knapsack NA NA +FLIAAANF0001 Erythrinin C C20H18O6 354.11033 63807-85-2 knapsack NA NA +FLIAAANF0002 Lupinisoflavone C C20H18O6 354.11033 93373-47-8 knapsack NA NA +FLIAAANI0008 Hydroxywighteone;5,7,4'-Trihydroxy-6-(3-hydroxymethyl-2-butenyl)isoflavone C20H18O6 354.11033 104691-87-4 knapsack NA NA +FLIAAANI0010 Gancaonin C;5,7,4'-Trihydroxy-8-(4-hydroxyprenyl)isoflavone C20H18O6 354.11033 124596-87-8 knapsack NA NA +FLIAACNI0003 5,7,3',4'-Tetrahydroxy-6-prenylisoflavone C20H18O6 354.11033 66777-71-7 knapsack NA NA +FLIAACNI0004 Gancaonin L;5,7,3',4'-Tetrahydroxy-8-prenylisoflavone C20H18O6 354.11033 129145-50-2 knapsack NA NA +FLIAALNI0001 Licoisoflavone A C20H18O6 354.11033 66056-19-7 knapsack NA NA +FLIAALNI0002 Luteone (isoflavone) C20H18O6 354.11033 41743-56-0 knapsack NA NA +FLIAALNI0003 2,3-Dehydrokievitone;5,7,2',4'-Tetrahydroxy-8-prenylisoflavone C20H18O6 354.11033 74161-25-4 knapsack NA NA +FLIAALNI0009 Fremontin;5,7,2',4'-Tetrahydroxy-5'-(1''',1'''-dimethylallyl)isoflavone C20H18O6 354.11033 124166-27-4 knapsack NA NA +FLIB1LNF0003 Nepseudin C20H18O6 354.11033 20848-57-1 knapsack NA NA +FLIB1LNF0004 Ambonone C20H18O6 354.11033 76165-17-8 knapsack NA NA +FLIBALNP0001 Licoisoflavanone C20H18O6 354.11033 66067-26-3 knapsack NA NA +FLIBALNP0002 Cyclokievitone C20H18O6 354.11033 74175-82-9 knapsack NA NA +FLIDHXNF0005 Glyceofuran C20H18O6 354.11033 78873-52-6 knapsack NA NA +FLIFHZNF0001 Elliptinol C20H18O6 354.11033 123154-79-0 knapsack NA NA +MJ043465 1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(2?-Hydroxy-3-methyl-3-butenyl) C20H18O6 354.110338 NA MeJP NA NA +MJ043466 1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(3-Hydroxymethyl-2-butenyl)(E-) C20H18O6 354.110338 NA MeJP NA NA +MJ043467 1,6,8-Trihydroxy-3-propanoylanthraquinone; Tri-Me ether C20H18O6 354.110338 NA MeJP NA NA +MJ043468 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, Tri-Ac C20H18O6 354.110338 NA MeJP NA NA +MJ043469 2',4',5,7-Tetrahydroxy-3'-prenylisoflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043470 2',4',5,7-Tetrahydroxy-3-prenylflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043471 2',4',5,7-Tetrahydroxy-5'-prenylisoflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043472 2',4',5,7-Tetrahydroxy-6-prenylflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043473 2',4',5,7-Tetrahydroxy-6-prenylisoflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043474 2',4',5,7-Tetrahydroxy-8-prenylisoflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043475 2,3-Dihydro-3,5,6-trimethoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one C20H18O6 354.110338 NA MeJP NA NA +MJ043476 2,5,7-Trihydroxy-4H-1-benzopyran-4-one; 2-O-(4-Hydroxyphenyl), 7-O-(3-methyl-2-butenyl) C20H18O6 354.110338 NA MeJP NA NA +MJ043477 2,5,7-Trihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; 2-O-(4-Hydroxyphenyl) C20H18O6 354.110338 NA MeJP NA NA +MJ043478 2-Methoxy-8-(3,4-dimethoxyphenyl)-1,4-naphthoquinone; 6-Methoxy C20H18O6 354.110338 NA MeJP NA NA +MJ043479 3',4',5,7-Tetrahydroxy-5'-prenylflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043480 3',4',5,7-Tetrahydroxy-5'-prenylisoflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043481 3',4',5,7-Tetrahydroxy-6-prenylflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043482 3',4',5,7-Tetrahydroxy-6-prenylisoflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043483 3',4',5,7-Tetrahydroxy-8-prenylflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043484 3',4',5,7-Tetrahydroxy-8-prenylisoflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043485 3,3',4,4'-Tetrahydroxylign-7-en-9,9'-olide, 3',4'-Methylene, 4-Me ether C20H18O6 354.110338 NA MeJP NA NA +MJ043486 3,4',5,7-Tetrahydroxy-3'-prenylflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043487 3,4',5,7-Tetrahydroxy-6-prenylflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043488 3,4',5,7-Tetrahydroxy-8-prenylflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043489 3,4:3',4'-Bis(methylenedioxy)lignan-9,9'-olide C20H18O6 354.110338 NA MeJP NA NA +MJ043490 3,5,7,8-Tetrahydroxy-6-prenylflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043491 4',5,7-Trihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)flavone C20H18O6 354.110338 NA MeJP NA NA +MJ043492 4',5,7-Trihydroxy-6-prenylisoflavone; 4''-Hydroxy C20H18O6 354.110338 NA MeJP NA NA +MJ043493 4',5,7-Trihydroxy-6-prenylisoflavone; ?3''-Isomer, 2''-hydroxy C20H18O6 354.110338 NA MeJP NA NA +MJ043494 4',5,7-Trihydroxy-8-prenylflavone; ?3''-Isomer, 2''-hydroxy C20H18O6 354.110338 NA MeJP NA NA +MJ043495 4-(3,4-Dimethoxybenzyl)-4,5-dihydro-3-(3,4-methylenedioxybenzylidene)-2(3H)-furanone, 4'-O-De-Me C20H18O6 354.110338 NA MeJP NA NA +MJ043496 4-Hydroxy-2,3-dimethyl-5,6-methylenedioxy-4-piperonyl-1-tetralone C20H18O6 354.110338 NA MeJP NA NA +MJ043497 7-Hydroxy-3-(4-hydroxybenzyl)-4-chromanone; Di-Ac C20H18O6 354.110338 NA MeJP NA NA +MJ043498 8-(1,1-Dimethyl-2-propenyl)-3,4',5,7-tetrahydroxyflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043499 Acanthotoxin C20H18O6 354.110338 NA MeJP NA NA +MJ043500 Antibiotic SM 196A; 1-Ketone, 6a,12a-epoxide C20H18O6 354.110338 NA MeJP NA NA +MJ043501 Averythrin C20H18O6 354.110338 NA MeJP NA NA +MJ043502 Castillene B; 3',4'-Methylenedioxy C20H18O6 354.110338 NA MeJP NA NA +MJ043503 Curcumin; O-De-Me C20H18O6 354.110338 NA MeJP NA NA +MJ043504 Cyclokievitone C20H18O6 354.110338 NA MeJP NA NA +MJ043505 Dihydrocarpanone; 1',7'-Didehydro C20H18O6 354.110338 NA MeJP NA NA +MJ043506 Elliptone, 12R-Alcohol C20H18O6 354.110338 NA MeJP NA NA +MJ043507 Erythrinin C C20H18O6 354.110338 NA MeJP NA NA +MJ043508 Ficuisoflavone C20H18O6 354.110338 NA MeJP NA NA +MJ043509 Fremontin C20H18O6 354.110338 NA MeJP NA NA +MJ043510 Gancaonin C C20H18O6 354.110338 NA MeJP NA NA +MJ043511 Garveatin A quinone C20H18O6 354.110338 NA MeJP NA NA +MJ043512 Glyasperin F C20H18O6 354.110338 NA MeJP NA NA +MJ043513 Glyceofuran C20H18O6 354.110338 NA MeJP NA NA +MJ043514 Hydroxyotobain; 7-Oxo C20H18O6 354.110338 NA MeJP NA NA +MJ043515 Hydroxytuberosone C20H18O6 354.110338 NA MeJP NA NA +MJ043516 Licoisoflavone B; 2,3-Dihydro C20H18O6 354.110338 NA MeJP NA NA +MJ043517 Lupinisoflavone C C20H18O6 354.110338 NA MeJP NA NA +MJ043518 Nepseudin C20H18O6 354.110338 NA MeJP NA NA +MJ043519 Palmarumycin CP5 C20H18O6 354.110338 NA MeJP NA NA +MJ043520 Peperomin D C20H18O6 354.110338 NA MeJP NA NA +MJ043521 Ponganone IX C20H18O6 354.110338 NA MeJP NA NA +MJ043522 Salvireptanolide C20H18O6 354.110338 NA MeJP NA NA +MJ043523 Sanggenon F C20H18O6 354.110338 NA MeJP NA NA +MJ043524 Sanggenon H C20H18O6 354.110338 NA MeJP NA NA +MJ043525 Sesamin C20H18O6 354.110338 NA MeJP NA NA +MJ043526 Shuterol C20H18O6 354.110338 NA MeJP NA NA +MJ043527 Sigmoidin C C20H18O6 354.110338 NA MeJP NA NA +MJ043528 TAEMC 161 C20H18O6 354.110338 NA MeJP NA NA +MJ043529 Terphenyllin; 3-Hydroxy C20H18O6 354.110338 NA MeJP NA NA +MJ043530 Teuvincenone A; 15,16-Didehydro, 11,14-quinone C20H18O6 354.110338 NA MeJP NA NA +MJ043531 Velloeriodictyol C20H18O6 354.110338 NA MeJP NA NA +MJ043532 Viridin; 3?-Alcohol C20H18O6 354.110338 NA MeJP NA NA +MJ043533 Vitrofolal B C20H18O6 354.110338 NA MeJP NA NA +MJ043534 Yukovanol C20H18O6 354.110338 NA MeJP NA NA +MJ043535 ?-Citromycinone; 6,10-Dideoxy,11-hydroxy C20H18O6 354.110338 NA MeJP NA NA +MJ043536 ?-Citromycinone; 7-Deoxy C20H18O6 354.110338 NA MeJP NA NA +MJ043537 ?-Rhodomycinone; 7,10-Dideoxy C20H18O6 354.110338 NA MeJP NA NA +MetaCyc03148 2,3-dehydrokievitone [] C20H18O6 354.110338 NA metacyc NA NA +MetaCyc03149 phaseoluteone [licoisoflavone A;3'-prenyl-5,7,2',4'-tetrahydroxyisoflavone;] C20H18O6 354.110338 NA metacyc NA NA +MetaCyc03150 luteone [6-isopentenyl-2'-hydroxygenistein;] C20H18O6 354.110338 NA metacyc NA NA +MJ043538 Rhopaladin A; Debromo, 6-deoxy C21H14N4O2 354.111675 NA MeJP NA NA +MJ043539 Allithiamine C15H22N4O2S2 354.118417 NA MeJP NA NA +MJ043540 18-Bromo-5,17-octadecadien-15-ynoic acid C18H27BrO2 354.119442 NA MeJP NA NA +MJ043541 18-Bromo-5,17-octadecadien-7-ynoic acid C18H27BrO2 354.119442 NA MeJP NA NA +MJ043542 Colletochlorin A, 6'-Ketone C18H23ClO5 354.123401 NA MeJP NA NA +MJ043543 Oudemansin; Oudemansin B C18H23ClO5 354.123401 NA MeJP NA NA +MJ043544 3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzamide C18H24Cl2N2O 354.126568 NA MeJP NA NA +MJ043545 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 13-Ac C17H22O8 354.131467 NA MeJP NA NA +MJ043546 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-Ac C17H22O8 354.131467 NA MeJP NA NA +MJ043547 10-Hydroxy-8-decene-4,6-diynoic acid, Me ester, O-?-D-glucopyranoside C17H22O8 354.131467 NA MeJP NA NA +MJ043548 3,4,7,8,15-Scirpenepentol, 8-Ketone, 4-Ac C17H22O8 354.131467 NA MeJP NA NA +MJ043549 3-(3-Hydroxypropyl)phthalide; O-?-D-Glucopyranoside C17H22O8 354.131467 NA MeJP NA NA +MJ043550 4,8,9,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 4-Hydroperoxide, 8-Ac C17H22O8 354.131467 NA MeJP NA NA +MJ043551 8-Hydroxy-9-decene-4,6-diynoic acid, O-?-D-Glucopyranoside, Me ester C17H22O8 354.131467 NA MeJP NA NA +MJ043552 Isoshinanolone, 4-O-?-D-Glucopyranoside C17H22O8 354.131467 NA MeJP NA NA +MJ043553 1,2-Bis(5-methoxy-1H-benzimidazol-2-yl)-1,2-ethanediol C18H18N4O4 354.132805 NA MeJP NA NA +MJ043554 1,3,5-Triphenyl-1H-pyrazole-4-acetic acid C23H18N2O2 354.136827 NA MeJP NA NA +MJ043555 3,4-Diphenyl-1H-pyrazole-5-acetic acid; 1-Ph C23H18N2O2 354.136827 NA MeJP NA NA +MJ043556 Fosfazinomycin B C10H23N6O6P 354.141669 NA MeJP NA NA +C10206 Cristacarpin C21H22O5 354.1467 NA KEGG NA NA +C10574 Futoquinol C21H22O5 354.1467 NA KEGG NA NA +C16417 Xanthohumol C21H22O5 354.1467 NA KEGG NA NA +C17499 Notopterol C21H22O5 354.1467 NA KEGG NA NA +FL1C1ANI0005 Xanthoangelol D C21H22O5 354.14672 132998-83-5 knapsack NA NA +FL1C1ANP0020 Xanthoangelol H;6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-4'-methoxychalcone C21H22O5 354.14672 265652-89-9 knapsack NA NA +FL1CA9NP0003 Helichromanochalcone C21H22O5 354.14672 72247-81-5 knapsack NA NA +FL1CA9NP0010 2'-Methoxyhelikrausichalcone;6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-2'-hydroxy-6'-methoxychalcone C21H22O5 354.14672 554408-29-6 knapsack NA NA +FL1CA9NP0012 6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone C21H22O5 354.14672 140158-54-9 knapsack NA NA +FL1CBANI0001 Xanthohumol C21H22O5 354.14672 569-83-5 knapsack NA NA +FL1CBANP0002 Isodehydrocycloxanthohumol hydrate;6'',6''-Dimethyl-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxy-6'-methoxychalcone C21H22O5 354.14672 250603-94-2 knapsack NA NA +FL1CCANI0001 Xanthogalenol;3'-Prenyl-4,2',6'-trihydroxy-4'-methoxychalcone C21H22O5 354.14672 265659-35-6 knapsack NA NA +FL1CHYNI0007 3'-Prenyl-2',6',beta-trihydroxy-4'-methoxychalcone C21H22O5 354.14672 474539-46-3 knapsack NA NA +FL1CRTNF0001 Licoagrochalcone D;5''-(2-Hydroxyisopropyl)-4'',5''-dihydrofurano[2'',3'':4,3]-4'-hydroxy-2-methoxychalcone C21H22O5 354.14672 325144-69-2 knapsack NA NA +FL1CRTNI0003 Licochalcone D C21H22O5 354.14672 144506-15-0 knapsack NA NA +FL1CRTNI0004 Licoagrochalcone C;3-Prenyl-4,3',4'-trihydroxy-2-methoxychalcone C21H22O5 354.14672 325144-68-1 knapsack NA NA +FL1DE9NP0001 Flemistrictin D C21H22O5 354.14672 84435-30-3 knapsack NA NA +FL2FA9NI0019 Tephroleocarpin A C21H22O5 354.14672 138590-93-9 knapsack NA NA +FL2FAANI0019 5,7,4'-Trihydroxy-6-methyl-8-prenylflavanone C21H22O5 354.14672 261776-60-7 knapsack NA NA +FL2FAANI0020 5,7,4'-Trihydroxy-8-methyl-6-prenylflavanone C21H22O5 354.14672 261776-59-4 knapsack NA NA +FL2FABNI0002 5,7-Dihydroxy-4'-methoxy-8-C-prenylflavanone C21H22O5 354.14672 120727-36-8 knapsack NA NA +FL2FBANI0001 Isoxanthohumol(Sophora) C21H22O5 354.14672 70872-29-6 knapsack NA NA +FL2FCANI0001 5,4'-Dihydroxy-7-methoxy-6-C-prenylflavanone C21H22O5 354.14672 98621-32-0 knapsack NA NA +FL2FCANI0002 5-Hydroxy-7-methoxy-4'-prenyloxyflavanone C21H22O5 354.14672 14117-55-6 knapsack NA NA +FL2FCANI0003 Mundulea flavanone B;7-O-Methyl-8-prenylnaringenin;7-Methyl-4'-hydroxyglabranin C21H22O5 354.14672 201805-81-4 knapsack NA NA +FL2FE9NI0001 Agrandol;5,7-Dihydroxy-6-methoxy-8-prenylflavanone C21H22O5 354.14672 253786-74-2 knapsack NA NA +FL2FF9NI0001 8-Methoxypinocembrin 7-O-prenyl ether C21H22O5 354.14672 122585-67-5 knapsack NA NA +FL2FF9NI0002 Microfolione;(2R)-5,7-Dihydroxy-8-methoxy-6-prenylflavanone C21H22O5 354.14672 462112-95-4 knapsack NA NA +FL4DA9NI0003 Leaserone C21H22O5 354.14672 15508-94-8 knapsack NA NA +FL63BANP0001 7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan C21H22O5 354.14672 - knapsack NA NA +FL6DA9NP0001 Quercetol A C21H22O5 354.14672 119061-05-1 knapsack NA NA +FLIC1LNP0007 3'-Methoxyglabridin C21H22O5 354.14672 74046-05-2 knapsack NA NA +FLICALNP0001 Neorauflavane C21H22O5 354.14672 53734-74-0 knapsack NA NA +FLIDBANI0001 1-Methoxyphaseollidin;3,9-Dihydroxy-1-methoxy-10-prenylpterocarpan C21H22O5 354.14672 65428-13-9 knapsack NA NA +FLIDBANI0002 Edudiol;3,9-Dihydroxy-1-methoxy-2-prenylpterocarpan C21H22O5 354.14672 63343-94-2 knapsack NA NA +FLIDHXNI0001 Cristacarpin;Erythrabyssin I C21H22O5 354.14672 74515-47-2 knapsack NA NA +FLIDHXNI0005 Glyceollin IV;6a,9-Dihydroxy-3-methoxy-2-prenylpterocarpan C21H22O5 354.14672 69393-94-8 knapsack NA NA +FLII1ANI0001 Ambofuranol;6-Hydroxy-2-(2-hydroxy-4-methoxyphenyl)-3-methoxy-5-prenylbenzofuran C21H22O5 354.14672 76869-00-6 knapsack NA NA +FLII1LNI0002 Gancaonin I C21H22O5 354.14672 126716-36-7 knapsack NA NA +MJ043557 1,3,9-Trihydroxy-10-prenylpterocarpan; 1-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043558 1,3,9-Trihydroxy-2-prenylpterocarpan; 1-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043559 1,3,9-Trihydroxy-2-prenylpterocarpan; 3-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043560 10-(3-Methyl-2-butenoyl)spatheliachromen; Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043561 2',4',5,7-Tetrahydroxy-6-prenylisoflavene; 5-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043562 2',4',7-Trihydroxy-5'-prenylisoflavanone; 4'-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043563 2',4',7-Trihydroxy-6'-prenylisoflavanone; 2'-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043564 2',4',7-Trihydroxy-6-prenylisoflavanone, 7-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043565 2',4,4',6'-Tetrahydroxy-3'-prenylchalcone; 4'-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043566 2',4,4',6'-Tetrahydroxy-3'-prenylchalcone; 6'-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043567 2',4,4'-Trihydroxy-3'-prenylchalcone; ?3''-Isomer, 2''-hydroxy, 4'-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043568 2,3',4,4'-Tetrahydroxy-3-prenylchalcone, 2-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043569 2,3,4,4'-Tetrahydroxy-3'-prenylchalcone, 2-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043570 2,3-Dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran C21H22O5 354.146723 NA MeJP NA NA +MJ043571 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-(1-propenyl)-4,5-benzofurandiol, 4,5-Methylene, 3',4'-di-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043572 2-(3,4-Dihydroxyphenyl)-4,6-dihydroxy-5-prenylbenzofuran; 4,6-Di-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043573 3',4',7-Trihydroxy-2'-prenylisoflavanone, 4'-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043574 3',4,4',5,5'-Pentahydroxy-2,7'-cyclolignan, 3',4':4,5-Bis(methylene ether), 5'-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043575 3,5,7-Trihydroxy-8-prenylflavanone, 7-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043576 3,6a,9-Trihydroxy-10-prenylpterocarpan; 9-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043577 3,6a,9-Trihydroxy-2-prenylpterocarpan; 3-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043578 3,8,9-Trihydroxy-6a-prenylpterocarpan, 9-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043579 3a,4,9,9a-Tetrahydro-9-(3,4,5-trimethoxyphenyl)naphtho[2,3-c]furan-1(3H)one C21H22O5 354.146723 NA MeJP NA NA +MJ043580 4',5,7-Trihydroxy-6-methyl-8-prenylflavanone C21H22O5 354.146723 NA MeJP NA NA +MJ043581 4',5,7-Trihydroxy-6-prenylflavanone, 7-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043582 4',5,7-Trihydroxy-8-methyl-6-prenylflavanone C21H22O5 354.146723 NA MeJP NA NA +MJ043583 4',5,7-Trihydroxy-8-prenylflavanone, 4'-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043584 4',5,7-Trihydroxy-8-prenylflavanone, 5-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043585 4',5,7-Trihydroxy-8-prenylflavanone, 7-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043586 4',5-Dihydroxy-7-methoxyflavanone, 4'-O-(3-Methyl-2-butenyl) C21H22O5 354.146723 NA MeJP NA NA +MJ043587 4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; Bis-O-(3-methyl-2-butenyl) C21H22O5 354.146723 NA MeJP NA NA +MJ043588 4-Hydroxy-6,7-dimethoxy-2,3-dimethyl-4-piperonyl-1-tetralone, 4-Deoxy C21H22O5 354.146723 NA MeJP NA NA +MJ043589 5,6,7-Trihydroxy-8-prenylflavanone, 6-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043590 5,7,8-Trihydroxyflavanone, 8-Me ether, 7-O-(3-methyl-2-butenyl) C21H22O5 354.146723 NA MeJP NA NA +MJ043591 5-(1-Propenyl)-2-(2,4,6-trimethoxyphenyl)benzofuran, 3'-Methoxy C21H22O5 354.146723 NA MeJP NA NA +MJ043592 7,8-(2,2-Dimethylpyrano)-3,4',5-trihydroxyflavan; 5-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043593 8-(1,1-Dimethyl-2-propenyl)-3,9,10-trihydroxypterocarpan; 9-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043594 8-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; 6',7'-Dihydro, 6'-oxo C21H22O5 354.146723 NA MeJP NA NA +MJ043595 8-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; ?5'-Isomer, 7'-hydroxy C21H22O5 354.146723 NA MeJP NA NA +MJ043596 8-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; ?7'-Isomer, 6'?-hydroxy C21H22O5 354.146723 NA MeJP NA NA +MJ043597 Alnusdiol; 4-Methoxy, 13-oxo, 11-deoxy, 9-ketone, 2-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043598 Ambofuranol C21H22O5 354.146723 NA MeJP NA NA +MJ043599 Aurantiumal C21H22O5 354.146723 NA MeJP NA NA +MJ043600 Bergamottin; 5'-Hydroxy C21H22O5 354.146723 NA MeJP NA NA +MJ043601 Bergamottin; 6',7'-Epoxide C21H22O5 354.146723 NA MeJP NA NA +MJ043602 Bergamottin; ?5'-Isomer, 5',6'-epoxide C21H22O5 354.146723 NA MeJP NA NA +MJ043603 Bergamottin; ?5'-Isomer, 7'-hydroxy C21H22O5 354.146723 NA MeJP NA NA +MJ043604 Cuevaene A C21H22O5 354.146723 NA MeJP NA NA +MJ043605 Echinofuran C C21H22O5 354.146723 NA MeJP NA NA +MJ043606 Flemistrictin D C21H22O5 354.146723 NA MeJP NA NA +MJ043607 Flemistrictin F; 4'-Hydroxy, 5-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043608 Flemistrictin F; 7-Hydroxy, 5-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043609 Furoguaiacin; 4'-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043610 Futoquinol C21H22O5 354.146723 NA MeJP NA NA +MJ043611 Garveatin D C21H22O5 354.146723 NA MeJP NA NA +MJ043612 Glabridin, 3'-Hydroxy, 4'-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043613 Isofutoquinol A C21H22O5 354.146723 NA MeJP NA NA +MJ043614 Leptosphaerodione C21H22O5 354.146723 NA MeJP NA NA +MJ043615 Licoagrochalcone D C21H22O5 354.146723 NA MeJP NA NA +MJ043616 Licobenzofuran C21H22O5 354.146723 NA MeJP NA NA +MJ043617 Naphterpin C21H22O5 354.146723 NA MeJP NA NA +MJ043618 Neorauflavane C21H22O5 354.146723 NA MeJP NA NA +MJ043619 Oblongulide C21H22O5 354.146723 NA MeJP NA NA +MJ043620 Pleurotin C21H22O5 354.146723 NA MeJP NA NA +MJ043621 Pongachalcone I; 3,4-Dihydro, 3?-hydroxy C21H22O5 354.146723 NA MeJP NA NA +MJ043622 Quercetol A C21H22O5 354.146723 NA MeJP NA NA +MJ043623 Quercetol C; O5-De-Me C21H22O5 354.146723 NA MeJP NA NA +MJ043624 Rubropunctatin C21H22O5 354.146723 NA MeJP NA NA +MJ043625 Spherosinin, 2',3'-Di-O-de-Me, 4'-Me ether C21H22O5 354.146723 NA MeJP NA NA +MJ043626 Tilifolidione C21H22O5 354.146723 NA MeJP NA NA +MJ043627 Vismione B C21H22O5 354.146723 NA MeJP NA NA +MetaCyc03151 isoxanthohumol [] C21H22O5 354.146724 NA metacyc NA NA +MetaCyc03152 xanthogalenol [] C21H22O5 354.146724 NA metacyc NA NA +MetaCyc03153 xanthohumol [(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one;] C21H22O5 354.146724 NA metacyc NA NA +8203 peptide from Cornu Bubali (Bubalus Bubalis horn) QYDQGV 354.14745 MH2+ Inhouse_peptide NA peptide +MJ043628 Alangiobussine; 3,4-Didehydro C22H18N4O 354.148061 NA MeJP NA NA +MJ043629 2-Propanol; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C14H26O10 354.152597 NA MeJP NA NA +MJ043630 2-Propanol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C14H26O10 354.152597 NA MeJP NA NA +MJ043631 Everninose C14H26O10 354.152597 NA MeJP NA NA +MJ043632 Pyroglutamylglutamylprolinamide C15H22N4O6 354.153934 NA MeJP NA NA +MJ043633 ?,2-Dimethyl-5H-[1]-benzopyrano[2,3-b]pyridine-7-acetic acid, N,N-Dimethylcarbamoylmethyl ester C20H22N2O4 354.157957 NA MeJP NA NA +MJ043634 Cyclo(tyrosyltyrosyl), N,N'-Di-Me C20H22N2O4 354.157957 NA MeJP NA NA +MJ043635 Diazaquinomycin B; Quinone C20H22N2O4 354.157957 NA MeJP NA NA +MJ043636 Fluorocarpamine; Nb-Oxide C20H22N2O4 354.157957 NA MeJP NA NA +MJ043637 Maruquine C20H22N2O4 354.157957 NA MeJP NA NA +MJ043638 Mitraphylline; Parent acid C20H22N2O4 354.157957 NA MeJP NA NA +MJ043639 Picroroccellin C20H22N2O4 354.157957 NA MeJP NA NA +MJ043640 Uncarine, Parent acid C20H22N2O4 354.157957 NA MeJP NA NA +MJ043641 ?-Schizozygol C20H22N2O4 354.157957 NA MeJP NA NA +MJ043642 Halfordinol; O-(2,3-Dihydroxy-3-methylbutyl), N-Me C20H23N2O4(+) 354.157957 NA MeJP NA NA +C11708 Sultopride C17H26N2O4S 354.1613 NA KEGG NA NA +MJ043643 Sultopride C17H26N2O4S 354.161328 NA MeJP NA NA +MJ043644 3,4,5-Tribenzyl-2(5H)-furanone C25H22O2 354.161979 NA MeJP NA NA +MJ043645 3-[4-(1,2-Diphenyl-1-butenyl)phenyl]-2-propenoic acid C25H22O2 354.161979 NA MeJP NA NA +MJ043646 6-[2-(4'-Fluoro-3,3',5-trimethyl[1,1'-biphenyl]-2-yl)ethenyl]tetrahydro-4-hydroxy-2H-pyran-2-one C22H23FO3 354.163122 NA MeJP NA NA +PJ000483 AQH C14H22N6O5 354.1652 NA PeJP NA NA +MJ043647 Liroldine C20H20F2N4 354.165603 NA MeJP NA NA +MJ043648 1,8-Epoxy-1,6,7-trihydroxy-12,8-eremophilanolide, 1-Me ether, 6-Ac C18H26O7 354.167853 NA MeJP NA NA +MJ043649 2-Methyl-6-(3-methyl-2-butenyl)-1,4-benzenediol; 1-O-?-Glucopyranoside C18H26O7 354.167853 NA MeJP NA NA +MJ043650 3,4,5,8,9,10-Hexahydro-3,8,9-trihydroxy-10-propyl-2H-oxecin-2-one, 6?,7?-Epoxide, 3-O-(2E,4E-hexadienoyl) C18H26O7 354.167853 NA MeJP NA NA +MJ043651 3,5,7-Trihydroxy-p-menth-1-en-6-one, 5-(4-Hydroxy-2-methyl-2-butenoyl), 3-propanoyl C18H26O7 354.167853 NA MeJP NA NA +MJ043652 3,6,8,10-Tetrahydroxy-7(11)-eremophilen-12,8-olide, 6-Me ether, 3-Ac C18H26O7 354.167853 NA MeJP NA NA +MJ043653 4-Hydroxy-3-(3-methyl-2-butenyl)benzenemethanol; 4-O-?-D-Glucopyranoside C18H26O7 354.167853 NA MeJP NA NA +MJ043654 6-Acetyl-3,4,5,7,8-pentahydroxy-2,2-dimethyl-2H-1-benzopyran, 4-Et, 5,7,8-tri-Me ether C18H26O7 354.167853 NA MeJP NA NA +MJ043655 Guaiacylglycerol, 1,4'-Bis-O-(2-methylpropanoyl) C18H26O7 354.167853 NA MeJP NA NA +C02915 (S)-N-Methylcanadine C21H24NO4 354.1705 NA KEGG NA NA +MetaCyc03154 (S)-cis-N-methyl-canadine [cis-N-methyl-(S)-7,8,13,14-tetrahydroprotoberberine;] C21H24N1O4 354.170533 NA metacyc NA NA +MJ043656 Oxyridazine C21H26N2OS 354.176584 NA MeJP NA NA +C09970 Tephrowatsin A C22H26O4 354.1831 NA KEGG NA NA +C15030 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid C22H26O4 354.1831 NA KEGG NA NA +FL64A9NI0001 Tephrowatsin A C22H26O4 354.1831 97640-79-4 knapsack NA NA +MJ043657 2,6-Epoxy-21-ethyl-17-hydroxy-1-oxacycloheneicosa-2,5,14,18,20-pentaen-11-yn-4-one C22H26O4 354.183109 NA MeJP NA NA +MJ043658 3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene, Tetra-Me ether C22H26O4 354.183109 NA MeJP NA NA +MJ043659 3,4-Bis(4-hydroxyphenyl)hexane, Di-Ac C22H26O4 354.183109 NA MeJP NA NA +MJ043660 3-Ethyl-2,22-dioxabicyclo[16.3.1]docosa-3,6,8,12,18,21-hexaene-11,20-dione C22H26O4 354.183109 NA MeJP NA NA +MJ043661 4,5,7-Trihydroxy-8-prenylflavan, 5,7-Di-Me ether C22H26O4 354.183109 NA MeJP NA NA +MJ043662 Cannabinolic acid C22H26O4 354.183109 NA MeJP NA NA +MJ043663 Dactyloidin C22H26O4 354.183109 NA MeJP NA NA +MJ043664 Danshenol B C22H26O4 354.183109 NA MeJP NA NA +MJ043665 Dehydrodieugenol; Di-Me ether C22H26O4 354.183109 NA MeJP NA NA +MJ043666 Halitunal C22H26O4 354.183109 NA MeJP NA NA +MJ043667 Limbinol; 2-Ac C22H26O4 354.183109 NA MeJP NA NA +MJ043668 Panicein A2; 15-Alcohol C22H26O4 354.183109 NA MeJP NA NA +MJ043669 Sapriparaquinone; 4,18-Didehydro, Ac C22H26O4 354.183109 NA MeJP NA NA +MJ043670 Seratrodast C22H26O4 354.183109 NA MeJP NA NA +MJ043671 Taxamairin A; 3?-Alcohol, 11-Me ether C22H26O4 354.183109 NA MeJP NA NA +7793 Antioxidant peptide derived from egg ovalbumin AHK 354.189 antioxidative Inhouse_peptide NA peptide +PJ000484 AAPP C16H26N4O5 354.1903 NA PeJP NA NA +C09251 Vincamine C21H26N2O3 354.1943 NA KEGG NA NA +C09256 Yohimbine C21H26N2O3 354.1943 NA KEGG NA NA +C11691 Stemmadenine C21H26N2O3 354.1943 NA KEGG NA NA +C11783 Minovincinine C21H26N2O3 354.1943 NA KEGG NA NA +C11809 17-O-Acetylnorajmaline C21H26N2O3 354.1943 NA KEGG NA NA +MJ043672 ?-Yohimbine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043673 Ajmalidine; 12-Methoxy C21H26N2O3 354.194342 NA MeJP NA NA +MJ043674 Ajmaline; N-De-Me, 17-Ac C21H26N2O3 354.194342 NA MeJP NA NA +MJ043675 Akagerine; 10-Hydroxy, Me ether C21H26N2O3 354.194342 NA MeJP NA NA +MJ043676 Akuammiline; 1,2?-Dihydro, O-de-Ac C21H26N2O3 354.194342 NA MeJP NA NA +MJ043677 Alloyohimbine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043678 Aspidoalbidine; 12-Hydroxy, N-Ac C21H26N2O3 354.194342 NA MeJP NA NA +MJ043679 Aspidoalbidine; 12-Methoxy, N-formyl C21H26N2O3 354.194342 NA MeJP NA NA +MJ043680 Caracurine VII; 11-Methoxy, Me ether C21H26N2O3 354.194342 NA MeJP NA NA +MJ043681 Cathafoline; 19?,20?-Epoxide C21H26N2O3 354.194342 NA MeJP NA NA +MJ043682 Cathafoline; 19?,20?-Epoxide C21H26N2O3 354.194342 NA MeJP NA NA +MJ043683 Cathafoline; N4-Oxide C21H26N2O3 354.194342 NA MeJP NA NA +MJ043684 Catharinensine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043685 Chippiine; 10,11-Bis(demethoxy) C21H26N2O3 354.194342 NA MeJP NA NA +MJ043686 Coronaridine hydroxyindolenine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043687 Coronaridine pseudoindoxyl C21H26N2O3 354.194342 NA MeJP NA NA +MJ043688 Coronaridine, 10-Hydroxy C21H26N2O3 354.194342 NA MeJP NA NA +MJ043689 Coronaridine, 11-Hydroxy C21H26N2O3 354.194342 NA MeJP NA NA +MJ043690 Coronaridine, 18-Hydroxy C21H26N2O3 354.194342 NA MeJP NA NA +MJ043691 Corynantheidine, 20-Epimer, O17-de-Me C21H26N2O3 354.194342 NA MeJP NA NA +MJ043692 Corynantheine, O17-De-Me, 18,19-dihydro C21H26N2O3 354.194342 NA MeJP NA NA +MJ043693 Corynanthine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043694 Corynoxine; 17-Demethoxy, 7-epimer C21H26N2O3 354.194342 NA MeJP NA NA +MJ043695 Desformocorymine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043696 Dregamine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043697 Eburnamonine, 11,12-Dimethoxy C21H26N2O3 354.194342 NA MeJP NA NA +MJ043698 Eglandine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043699 Ervatamine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043700 Heyneanine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043701 Humantenirine; 11-Demethoxy, N4-Me C21H26N2O3 354.194342 NA MeJP NA NA +MJ043702 Hydroxybenzylpindolol C21H26N2O3 354.194342 NA MeJP NA NA +MJ043703 Iboxyphylline C21H26N2O3 354.194342 NA MeJP NA NA +MJ043704 Isorauhimbine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043705 Isositsirikine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043706 Kopsinine; 15?-Hydroxy C21H26N2O3 354.194342 NA MeJP NA NA +MJ043707 Kopsinine; 19?-Hydroxy C21H26N2O3 354.194342 NA MeJP NA NA +MJ043708 Kopsinine; Nb-Oxide C21H26N2O3 354.194342 NA MeJP NA NA +MJ043709 Kribine; 10-Hydroxy, Me ether (17? -) C21H26N2O3 354.194342 NA MeJP NA NA +MJ043710 Limatinine; 11-Methoxy C21H26N2O3 354.194342 NA MeJP NA NA +MJ043711 Macrogentine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043712 Minovincinine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043713 Pandoline C21H26N2O3 354.194342 NA MeJP NA NA +MJ043714 Pelirine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043715 Polyneuridine; 19,20-Dihydro C21H26N2O3 354.194342 NA MeJP NA NA +MJ043716 Protostrychnine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043717 Pseudoyohimbine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043718 Retuline; 16-Epimer, 18-acetoxy, N-de-Ac C21H26N2O3 354.194342 NA MeJP NA NA +MJ043719 Retuline; 16-Epimer, 18-hydroxy C21H26N2O3 354.194342 NA MeJP NA NA +MJ043720 Retuline; Nb-Oxide C21H26N2O3 354.194342 NA MeJP NA NA +MJ043721 Rhyncophylline, 7-Epimer, demethoxy C21H26N2O3 354.194342 NA MeJP NA NA +MJ043722 Schizophylline C21H26N2O3 354.194342 NA MeJP NA NA +MJ043723 Sitsirikine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043724 Spermostrychnine; 23-Hydroxy C21H26N2O3 354.194342 NA MeJP NA NA +MJ043725 Strictaminolamine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043726 Strychnosplendine; 19-Epimer, N1-Ac C21H26N2O3 354.194342 NA MeJP NA NA +MJ043727 Strychnosplendine; N1-Ac C21H26N2O3 354.194342 NA MeJP NA NA +MJ043728 Tacamine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043729 Tortuosamine, N-Formyl C21H26N2O3 354.194342 NA MeJP NA NA +MJ043730 Tubotaiwine; 11-Methoxy C21H26N2O3 354.194342 NA MeJP NA NA +MJ043731 Tubotaiwine; 12-Methoxy C21H26N2O3 354.194342 NA MeJP NA NA +MJ043732 Vincadifformine, 11-Hydroxy C21H26N2O3 354.194342 NA MeJP NA NA +MJ043733 Vincadifformine, 15?-Hydroxy C21H26N2O3 354.194342 NA MeJP NA NA +MJ043734 Vincamine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043735 Vincorine; N-De-Me C21H26N2O3 354.194342 NA MeJP NA NA +MJ043736 Vindolinine; 14,15-Dihydro, 15?-hydroxy C21H26N2O3 354.194342 NA MeJP NA NA +MJ043737 Vindolinine; 14,15-Dihydro, Nb-oxide C21H26N2O3 354.194342 NA MeJP NA NA +MJ043738 Vindolinine; 16-Epimer, 14,15-dihydro, 15?-hydroxy C21H26N2O3 354.194342 NA MeJP NA NA +MJ043739 Yohimbine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043740 ?-Yohimbine C21H26N2O3 354.194342 NA MeJP NA NA +MJ043741 Echitamidine, 19,20-Diepimer, Nb-Me C21H27N2O3(+) 354.194342 NA MeJP NA NA +MJ043742 Echitamidine, 20-Epimer, Nb-Me C21H27N2O3(+) 354.194342 NA MeJP NA NA +MJ043743 Ochropposinine, 3,4,5,6-Tetradehydro C21H27N2O3(+) 354.194342 NA MeJP NA NA +MetaCyc03155 17-O-acetylnorajmaline [] C21H26N2O3 354.194343 NA metacyc NA NA +MJ043744 16-Chloro-3,15-dihydroxy-3-erythroxylen-2-one C20H31ClO3 354.196172 NA MeJP NA NA +PJ000485 AKH C15H26N6O4 354.2016 NA PeJP NA NA +MJ043745 1,6,11-Farnesatriene-3,5,8,10-tetrol; 5,8-Di-Ac C19H30O6 354.204238 NA MeJP NA NA +MJ043746 10,15-Epoxy-6-caryophyllene-4,5,9,15-tetrol, 4,5-Di-Me ether, 9-Ac C19H30O6 354.204238 NA MeJP NA NA +MJ043747 2,6,11-Farnesatriene-1,5,10,15-tetrol, 1,15-Di-Ac C19H30O6 354.204238 NA MeJP NA NA +MJ043748 2,9-Bisaboladiene-7,11,12,15-tetrol; 12,15-Di-Ac C19H30O6 354.204238 NA MeJP NA NA +MJ043749 ACRL Toxins; ACRL Toxin III, 5,6-Dihydro C19H30O6 354.204238 NA MeJP NA NA +MJ043750 Band 1 toxin C19H30O6 354.204238 NA MeJP NA NA +MJ043751 Hexamidine C20H26N4O2 354.205576 NA MeJP NA NA +MJ043752 Neraminol C20H26N4O2 354.205576 NA MeJP NA NA +MetaCyc03156 amo-1618 [N,N,N,2-tetramethyl-5-(1-methylethyl)-4-((1-piperidinylcarbonyl)oxy)benzenaminium chloride;carbamic acid, N,N-pentamethylene-, 4-dimethylaminothymyl ester, methochloride;ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, 1-piperidinecarboxylate;1-piperidinecarboxylic acid, 6-(trimethylammonio)thymyl ester, chloride;] C19H31N2O2CL1 354.207406 NA metacyc NA NA +MJ043753 Roscovitine C19H26N6O 354.216809 NA MeJP NA NA +MJ043754 1-(2,6-Dihydroxyphenyl)-11-phenyl-1-undecanone C23H30O3 354.219494 NA MeJP NA NA +MJ043755 14-Hydroxycarda-3,5,20(22)-trienolide C23H30O3 354.219494 NA MeJP NA NA +MJ043756 18-Hydroxypregna-1,4,20-trien-3-one; Ac C23H30O3 354.219494 NA MeJP NA NA +MJ043757 2-Hydroxy-6-(10-phenyldecyl)benzoic acid C23H30O3 354.219494 NA MeJP NA NA +MJ043758 3-Hydroxycarda-14,16,20(22)-trienolide C23H30O3 354.219494 NA MeJP NA NA +MJ043759 4,8-Daucadien-14-ol; 14-(4-Methoxybenzoyl) C23H30O3 354.219494 NA MeJP NA NA +MJ043760 8-Hydroxybicyclogermacrene; 8?-form, 4-Methoxybenzoyl C23H30O3 354.219494 NA MeJP NA NA +MJ043761 Acitretin, Et ester C23H30O3 354.219494 NA MeJP NA NA +MJ043762 Melengestrol C23H30O3 354.219494 NA MeJP NA NA +MJ043763 Prorenoate; ?-Lactone C23H30O3 354.219494 NA MeJP NA NA +C09042 Aspidospermine C22H30N2O2 354.2307 NA KEGG NA NA +MJ043764 8-[4-[2-(1,2,3,4-Tetrahydroisoquinolinyl)]butyl]-8-azaspiro[4.5]decane-7,9-dione C22H30N2O2 354.230728 NA MeJP NA NA +MJ043765 Aspidospermine C22H30N2O2 354.230728 NA MeJP NA NA +MJ043766 Barucainide C22H30N2O2 354.230728 NA MeJP NA NA +MJ043767 Echinoclathrine A C22H30N2O2 354.230728 NA MeJP NA NA +MJ043768 Epivincadine, N-Me C22H30N2O2 354.230728 NA MeJP NA NA +MJ043769 Eprozinol C22H30N2O2 354.230728 NA MeJP NA NA +MJ043770 Hedyocapitelline C22H30N2O2 354.230728 NA MeJP NA NA +MJ043771 Limaspermine; 18-Deoxy C22H30N2O2 354.230728 NA MeJP NA NA +MJ043772 Vincadine, N-Me C22H30N2O2 354.230728 NA MeJP NA NA +C14477 3,3-Difluoro-5alpha-androstan-17beta-yl acetate C21H32F2O2 354.237 NA KEGG NA NA +EUR156 8-iso-prostaglandinF2a (8-isoprostane) C20H34O5 354.2406 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR159 11-epi-Prostaglandin-F2a(11-epi-PGF2a) C20H34O5 354.2406 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR171 ProstaglandinD1(PGD1) C20H34O5 354.2406 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR175 ProstaglandinE1(PGE1) C20H34O5 354.2406 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR179 ProstaglandinF2a(PGF2a) C20H34O5 354.2406 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR180 ProstaglandinF2b(PGF2b) C20H34O5 354.2406 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR156 8-iso-prostaglandinF2a (8-isoprostane) C20H34O5 354.2406 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR159 11-epi-Prostaglandin-F2a(11-epi-PGF2a) C20H34O5 354.2406 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR171 ProstaglandinD1(PGD1) C20H34O5 354.2406 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR175 ProstaglandinE1(PGE1) C20H34O5 354.2406 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR179 ProstaglandinF2a(PGF2a) C20H34O5 354.2406 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR180 ProstaglandinF2b(PGF2b) C20H34O5 354.2406 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR156 8-iso-prostaglandinF2a (8-isoprostane) C20H34O5 354.2406 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR159 11-epi-Prostaglandin-F2a(11-epi-PGF2a) C20H34O5 354.2406 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR171 ProstaglandinD1(PGD1) C20H34O5 354.2406 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR175 ProstaglandinE1(PGE1) C20H34O5 354.2406 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR179 ProstaglandinF2a(PGF2a) C20H34O5 354.2406 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR180 ProstaglandinF2b(PGF2b) C20H34O5 354.2406 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR156 8-iso-prostaglandinF2a (8-isoprostane) C20H34O5 354.2406 Wishlist Inhousejuil11 NA NA +EUR159 11-epi-Prostaglandin-F2a(11-epi-PGF2a) C20H34O5 354.2406 Wishlist Inhousejuil11 NA NA +EUR171 ProstaglandinD1(PGD1) C20H34O5 354.2406 Wishlist Inhousejuil11 NA NA +EUR175 ProstaglandinE1(PGE1) C20H34O5 354.2406 Wishlist Inhousejuil11 NA NA +EUR179 ProstaglandinF2a(PGF2a) C20H34O5 354.2406 Wishlist Inhousejuil11 NA NA +EUR180 ProstaglandinF2b(PGF2b) C20H34O5 354.2406 Wishlist Inhousejuil11 NA NA +C00639 Prostaglandin F2alpha C20H34O5 354.2406 NA KEGG NA NA +C00640 (3S)-3-Hydroxyacyl-CoA C24H39N7O18P3SR 354.2406 NA KEGG NA NA +C00641 1,2-Diacyl-sn-glycerol C5H6O5R2 354.2406 NA KEGG NA NA +C02314 Prostaglandin F2beta C20H34O5 354.2406 NA KEGG NA NA +C02315 Protein dithiol C7H11N3O3S2R2 354.2406 NA KEGG NA NA +C02317 PyroGlu-His-Xaa C7H11N3O3S2R2 354.2406 NA KEGG NA NA +C02318 R'C(R)S-S(R)CR' C2H2S2R4 354.2406 NA KEGG NA NA +C02319 R-CHOH-CO-CH2OH C3H5O3R 354.2406 NA KEGG NA NA +C02320 R-S-Glutathione C10H16N3O6SR 354.2406 NA KEGG NA NA +C02321 Rubber particle C10H16N3O6SR 354.2406 NA KEGG NA NA +C04741 Alprostadil C20H34O5 354.2406 NA KEGG NA NA +C04843 (5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate C20H34O5 354.2406 NA KEGG NA NA +C05959 11-epi-Prostaglandin F2alpha C20H34O5 354.2406 NA KEGG NA NA +C06438 Prostaglandin D1 C20H34O5 354.2406 NA KEGG NA NA +C13809 9,11,15-Trihydroxy-prosta-5,13-dien-1-oic acid C20H34O5 354.2406 NA KEGG NA NA +C14782 11,12,15-THETA C20H34O5 354.2406 NA KEGG NA NA +C14809 Trioxilin A3 C20H34O5 354.2406 NA KEGG NA NA +C14811 Trioxilin B3 C20H34O5 354.2406 NA KEGG NA NA +C14814 11,14,15-THETA C20H34O5 354.2406 NA KEGG NA NA +MJ043773 10,11,12-Trihydroxy-5,8,14-eicosatrienoic acid C20H34O5 354.240624 NA MeJP NA NA +MJ043774 11,13(16)-Labdadiene-6,7,8,14,15-pentol C20H34O5 354.240624 NA MeJP NA NA +MJ043775 11,15-Dihydroxy-9-oxo-13-prostenoic acid C20H34O5 354.240624 NA MeJP NA NA +MJ043776 11,16-Dihydroxy-9-oxo-13-prostenoic acid C20H34O5 354.240624 NA MeJP NA NA +MJ043777 13,16-Epoxy-3-clerodene-12,14,15,18-tetrol C20H34O5 354.240624 NA MeJP NA NA +MJ043778 2,10-Bisaboladien-7-ol, 7-O-Lyxopyranoside C20H34O5 354.240624 NA MeJP NA NA +MJ043779 2,14,15,16,17-Kauranepentol C20H34O5 354.240624 NA MeJP NA NA +MJ043780 2,3,14,15,16-Pimaranepentol, 7,8-Didehydro C20H34O5 354.240624 NA MeJP NA NA +MJ043781 2,3,4-Trihydroxy-13-cleroden-15-oic acid C20H34O5 354.240624 NA MeJP NA NA +MJ043782 2,3,9-Trihydroxy-13-labden-15-oic acid C20H34O5 354.240624 NA MeJP NA NA +MJ043783 2,6,10,14-Phytatetraene-1,8,12,19-tetrol, 6,7-Epoxide C20H34O5 354.240624 NA MeJP NA NA +MJ043784 3,11,16,17,18-Aphidicolanepentol C20H34O5 354.240624 NA MeJP NA NA +MJ043785 3,5,6,10,16-Grayanotoxanepentol C20H34O5 354.240624 NA MeJP NA NA +MJ043786 3,6,16,17,18-Aphidicolanepentol C20H34O5 354.240624 NA MeJP NA NA +MJ043787 3,7,16,17,18-Aphidicolanepentol C20H34O5 354.240624 NA MeJP NA NA +MJ043788 3,8(17)-Dolabelladiene-2,7,9,16,18-pentol C20H34O5 354.240624 NA MeJP NA NA +MJ043789 3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-(13-methyltetradecanoyl)-2(5H)-furanone C20H34O5 354.240624 NA MeJP NA NA +MJ043790 3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-pentadecanoyl-2(5H)-furanone C20H34O5 354.240624 NA MeJP NA NA +MJ043791 3-Hydroxyportulol ether C20H34O5 354.240624 NA MeJP NA NA +MJ043792 4(15)-Eudesmen-11-ol; O-?-L-Arabinopyranoside C20H34O5 354.240624 NA MeJP NA NA +MJ043793 4(15)-Eudesmen-11-ol; O-?-D-Arabinopyranoside C20H34O5 354.240624 NA MeJP NA NA +MJ043794 4,11,12-Trihydroxy-7-cembren-16,3-olide C20H34O5 354.240624 NA MeJP NA NA +MJ043795 4,16,17-Trihydroxy-3,4-seco-3-atisanoic acid C20H34O5 354.240624 NA MeJP NA NA +MJ043796 4,8,11-Trihydroxy-12-cembren-16,3-olide C20H34O5 354.240624 NA MeJP NA NA +MJ043797 5,9,11-Trihydroxyprosta-6,14-dienoic acid C20H34O5 354.240624 NA MeJP NA NA +MJ043798 6,13-Epoxy-4(18)-eunicellene-7,8,9,12-tetrol C20H34O5 354.240624 NA MeJP NA NA +MJ043799 6,9-Epoxy-11,15-dihydroxy-13-prostenoic acid C20H34O5 354.240624 NA MeJP NA NA +MJ043800 8(14)-Abietene-7,12,13,15,18-pentol C20H34O5 354.240624 NA MeJP NA NA +MJ043801 8(14)-Pimarene-2,12,15,16,19-pentol C20H34O5 354.240624 NA MeJP NA NA +MJ043802 8,11-Epidioxy-2,12(20)-cembradiene-4,6,7-triol C20H34O5 354.240624 NA MeJP NA NA +MJ043803 8,13-Epoxy-14,15-dihydroxy-19-labdanoic acid C20H34O5 354.240624 NA MeJP NA NA +MJ043804 8,14,15-Trihydroxy-13(16)-labden-19-oic acid C20H34O5 354.240624 NA MeJP NA NA +MJ043805 8,9-Epoxy-3-dolabellene-2,7,16,18-tetrol C20H34O5 354.240624 NA MeJP NA NA +MJ043806 9,11,15-Trihydroxyprosta-5,13-dienoic acid C20H34O5 354.240624 NA MeJP NA NA +MJ043807 9,11-Dihydroxy-15-oxo-5-prostenoic acid C20H34O5 354.240624 NA MeJP NA NA +MJ043808 9,11-Epidioxy-15-hydroxy-13-prosten-1-oic acid C20H34O5 354.240624 NA MeJP NA NA +MJ043809 9,15-Dihydroxy-11-oxo-13-prostenoic acid C20H34O5 354.240624 NA MeJP NA NA +MJ043810 Lasiocoryin C20H34O5 354.240624 NA MeJP NA NA +MJ043811 Tomexanthol C20H34O5 354.240624 NA MeJP NA NA +MJ043812 11-epi-Prostaglandin F2alpha C20H34O5 354.240624 NA MeJP NA NA +MJ043813 Prostaglandin F2alpha C20H34O5 354.240624 NA MeJP NA NA +MetaCyc03157 (5Z,9E,14Z)-(8XI,11XI,12S)-8,11,12-trihydroxyicosa-5,9,14-trienoate [] C20H34O5 354.240624 NA metacyc NA NA +MetaCyc03158 (13E)-(15S)-11-α,15-dihydroxy-9-oxoprost-13-enoate [prostglandin E1;alprostadil;] C20H34O5 354.240624 NA metacyc NA NA +MetaCyc03159 (5Z,13E)-(15S)-9,11,15-trihydroxyprosta-5,13-dienoate [Prostaglandin F2α;7-[3, 5-dihydroxy-2-(3-hydroxyl-1-octenyl) cyclopentyl]-5-heptenoic acid;(+)-Prostglandin F2a;5-Heptenoic acid, 7-[3,5-dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-9a,11a-PGF2;Amoglandin;Cyclosin;Dinaprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;Prostaglandin F2;Prostaglandin F2a;Prostarmon F;Prostin F2 α;Protamodin;(5Z,13E)-(15S)-9α,11α,15-trihydroxyprosta-5,13-dienoate;] C20H34O5 354.240624 NA metacyc NA NA +MetaCyc03160 (5z,13e)-(15s)-9-α,11-α,15-trihydroxyprosta-5,13-dienoate [prostaglandin F2α;amoglandin;cyclosin;dinoprost;panacelan;] C20H34O5 354.240624 551-11-1 metacyc NA NA +EUR156 8-iso-prostaglandinF2a (8-isoprostane) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR159 11-epi-Prostaglandin-F2a(11-epi-PGF2a) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR171 ProstaglandinD1(PGD1) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR175 ProstaglandinE1(PGE1) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR179 ProstaglandinF2a(PGF2a) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR180 ProstaglandinF2b(PGF2b) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR156 8-iso-prostaglandinF2a (8-isoprostane) C20H34O5 354.240625 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR159 11-epi-Prostaglandin-F2a(11-epi-PGF2a) C20H34O5 354.240625 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR171 ProstaglandinD1(PGD1) C20H34O5 354.240625 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR175 ProstaglandinE1(PGE1) C20H34O5 354.240625 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR179 ProstaglandinF2a(PGF2a) C20H34O5 354.240625 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR180 ProstaglandinF2b(PGF2b) C20H34O5 354.240625 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR156 8-iso-prostaglandinF2a (8-isoprostane) C20H34O5 354.240625 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR159 11-epi-Prostaglandin-F2a(11-epi-PGF2a) C20H34O5 354.240625 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR171 ProstaglandinD1(PGD1) C20H34O5 354.240625 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR175 ProstaglandinE1(PGE1) C20H34O5 354.240625 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR179 ProstaglandinF2a(PGF2a) C20H34O5 354.240625 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR180 ProstaglandinF2b(PGF2b) C20H34O5 354.240625 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR156 8-iso-prostaglandinF2a (8-isoprostane) C20H34O5 354.240625 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR159 11-epi-Prostaglandin-F2a(11-epi-PGF2a) C20H34O5 354.240625 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR171 ProstaglandinD1(PGD1) C20H34O5 354.240625 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR175 ProstaglandinE1(PGE1) C20H34O5 354.240625 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR179 ProstaglandinF2a(PGF2a) C20H34O5 354.240625 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR180 ProstaglandinF2b(PGF2b) C20H34O5 354.240625 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR156 8-iso-prostaglandinF2a (8-isoprostane) C20H34O5 354.240625 Wishlist HMDB NA NA +EUR159 11-epi-Prostaglandin-F2a(11-epi-PGF2a) C20H34O5 354.240625 Wishlist HMDB NA NA +EUR171 ProstaglandinD1(PGD1) C20H34O5 354.240625 Wishlist HMDB NA NA +EUR175 ProstaglandinE1(PGE1) C20H34O5 354.240625 Wishlist HMDB NA NA +EUR179 ProstaglandinF2a(PGF2a) C20H34O5 354.240625 Wishlist HMDB NA NA +EUR180 ProstaglandinF2b(PGF2b) C20H34O5 354.240625 Wishlist HMDB NA NA +EUR156 8-iso-prostaglandinF2a (8-isoprostane) C20H34O5 354.240625 Wishlist Inhouse_PFEM NA NA +EUR159 11-epi-Prostaglandin-F2a(11-epi-PGF2a) C20H34O5 354.240625 Wishlist Inhouse_PFEM NA NA +EUR171 ProstaglandinD1(PGD1) C20H34O5 354.240625 Wishlist Inhouse_PFEM NA NA +EUR175 ProstaglandinE1(PGE1) C20H34O5 354.240625 Wishlist Inhouse_PFEM NA NA +EUR179 ProstaglandinF2a(PGF2a) C20H34O5 354.240625 Wishlist Inhouse_PFEM NA NA +EUR180 ProstaglandinF2b(PGF2b) C20H34O5 354.240625 Wishlist Inhouse_PFEM NA NA +EUR156 8-iso-prostaglandinF2a (8-isoprostane) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR159 11-epi-Prostaglandin-F2a(11-epi-PGF2a) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR171 ProstaglandinD1(PGD1) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR175 ProstaglandinE1(PGE1) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR179 ProstaglandinF2a(PGF2a) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR180 ProstaglandinF2b(PGF2b) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR156 8-iso-prostaglandinF2a (8-isoprostane) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR159 11-epi-Prostaglandin-F2a(11-epi-PGF2a) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR171 ProstaglandinD1(PGD1) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR175 ProstaglandinE1(PGE1) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR179 ProstaglandinF2a(PGF2a) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR180 ProstaglandinF2b(PGF2b) C20H34O5 354.240625 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB01139 Prostaglandin F2a C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB01139 PFEM_hmdb_metabocards_urine NA urine +HMDB01139 Prostaglandin F2a C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB01139 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01442 Prostaglandin E1 C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB01442 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04685 13,14-dihydro-15-keto PGF2a C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB04685 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05083 8-Isoprostaglandin F2a C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB05083 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01139 Prostaglandin F2a C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB01139 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01139 Prostaglandin F2a C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB01139 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01139 Prostaglandin F2a C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB01139 HMDB NA NA +HMDB01442 Prostaglandin E1 C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB01442 HMDB NA NA +HMDB01483 Prostaglandin F2b C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB01483 HMDB NA NA +HMDB01965 Troxilin B3 C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB01965 HMDB NA NA +HMDB01977 Trioxilin A3 C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB01977 HMDB NA NA +HMDB02115 8-isoprostaglandin PGF2beta C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB02115 HMDB NA NA +HMDB04684 11,12,15-THETA C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB04684 HMDB NA NA +HMDB04685 13,14-dihydro-15-keto PGF2a C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB04685 HMDB NA NA +HMDB04686 8-Isoprostaglandin E1 C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB04686 HMDB NA NA +HMDB04694 11,14,15-THETA C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB04694 HMDB NA NA +HMDB05083 8-Isoprostaglandin F2a C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB05083 HMDB NA NA +HMDB05102 Prostaglandin D1 C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB05102 HMDB NA NA +HMDB06562 8-iso-13,14-dihydro-15-keto-PGF2a C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB06562 HMDB NA NA +HMDB01139 Prostaglandin F2a C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB01139 PFEM_hmdb_metabocards_blood NA blood +HMDB01442 Prostaglandin E1 C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB01442 PFEM_hmdb_metabocards_blood NA blood +HMDB04685 13,14-dihydro-15-keto PGF2a C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB04685 PFEM_hmdb_metabocards_blood NA blood +HMDB05083 8-Isoprostaglandin F2a C20H34O5 354.24063 http://www.hmdb.ca/metabolites/HMDB05083 PFEM_hmdb_metabocards_blood NA blood +HMDB01139 Prostaglandin F2a C20H34O5 354.24063 HMDB01139 PFEM_hmdb_metabocards_official NA NA +HMDB01442 Prostaglandin E1 C20H34O5 354.24063 HMDB01442 PFEM_hmdb_metabocards_official NA NA +HMDB01483 Prostaglandin F2b C20H34O5 354.24063 HMDB01483 PFEM_hmdb_metabocards_official NA NA +HMDB01965 Troxilin B3 C20H34O5 354.24063 HMDB01965 PFEM_hmdb_metabocards_official NA NA +HMDB01977 Trioxilin A3 C20H34O5 354.24063 HMDB01977 PFEM_hmdb_metabocards_official NA NA +HMDB02115 8-isoprostaglandin PGF2beta C20H34O5 354.24063 HMDB02115 PFEM_hmdb_metabocards_official NA NA +HMDB04684 11,12,15-THETA C20H34O5 354.24063 HMDB04684 PFEM_hmdb_metabocards_official NA NA +HMDB04685 13,14-dihydro-15-keto PGF2a C20H34O5 354.24063 HMDB04685 PFEM_hmdb_metabocards_official NA NA +HMDB04686 8-Isoprostaglandin E1 C20H34O5 354.24063 HMDB04686 PFEM_hmdb_metabocards_official NA NA +HMDB04694 11,14,15-THETA C20H34O5 354.24063 HMDB04694 PFEM_hmdb_metabocards_official NA NA +HMDB05083 8-Isoprostaglandin F2a C20H34O5 354.24063 HMDB05083 PFEM_hmdb_metabocards_official NA NA +HMDB05102 Prostaglandin D1 C20H34O5 354.24063 HMDB05102 PFEM_hmdb_metabocards_official NA NA +HMDB06562 8-iso-13,14-dihydro-15-keto-PGF2a C20H34O5 354.24063 HMDB06562 PFEM_hmdb_metabocards_official NA NA +HMDB01139 Prostaglandin F2a C20H34O5 354.240631 NA HMDB2010 NA NA +HMDB01442 Prostaglandin E1 C20H34O5 354.240631 NA HMDB2010 NA NA +HMDB01483 Prostaglandin F2b C20H34O5 354.240631 NA HMDB2010 NA NA +HMDB01965 Troxilin B3 C20H34O5 354.240631 NA HMDB2010 NA NA +HMDB01977 Trioxilin A3 C20H34O5 354.240631 NA HMDB2010 NA NA +HMDB02115 8-isoprostaglandin PGF2b C20H34O5 354.240631 NA HMDB2010 NA NA +HMDB04684 11,12,15-THETA C20H34O5 354.240631 NA HMDB2010 NA NA +HMDB04685 13,14-Dihydro-15-keto PGF2a C20H34O5 354.240631 NA HMDB2010 NA NA +HMDB04686 8-Isoprostaglandin E1 C20H34O5 354.240631 NA HMDB2010 NA NA +HMDB04694 11,14,15-THETA C20H34O5 354.240631 NA HMDB2010 NA NA +HMDB05083 8-Isoprostaglandin F2a C20H34O5 354.240631 NA HMDB2010 NA NA +HMDB05102 Prostaglandin D1 C20H34O5 354.240631 NA HMDB2010 NA NA +HMDB06562 8-iso-13,14-dihydro-15-keto-PGF2a C20H34O5 354.240631 NA HMDB2010 NA NA +HMDB10170 11,12,15-TriHETRE C20H34O5 354.240631 NA HMDB2010 NA NA +HMDB10199 11b-PGF2a C20H34O5 354.240631 NA HMDB2010 NA NA +HMDB11137 11-Epi-PGF2a C20H34O5 354.240631 NA HMDB2010 NA NA +MJ043814 Glutamine, N2-(9Z-Tetradecenoyl) C19H34N2O4 354.251857 NA MeJP NA NA +CJpos0768 Cholic acid [(M+H)-3(H2O)]+ C24H35O2 354.255375 C18rt(min)=9.25 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0768 Cholic acid [(M+H)-3(H2O)]+ C24H35O2 354.255375 C18rt(min)=9.25 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ043815 1,12-Dodecanediol; Di-Ph ether C24H34O2 354.25588 NA MeJP NA NA +MJ043816 3-(12-Phenyldodecyl)-1,2-benzenediol C24H34O2 354.25588 NA MeJP NA NA +MJ043817 3-Ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyl-6,10-dodecadien-1-one C24H34O2 354.25588 NA MeJP NA NA +MJ043818 4-(12-Phenyldodecyl)-1,2-benzenediol C24H34O2 354.25588 NA MeJP NA NA +MJ043819 5-(10-Phenyldecyl)-1,3-benzenediol; Di-Me ether C24H34O2 354.25588 NA MeJP NA NA +MJ043820 5-(12-Phenyldodecyl)-1,3-benzenediol C24H34O2 354.25588 NA MeJP NA NA +C16921 Bufadienolide C24H34O2 354.2559 NA KEGG NA NA +C12280 Methyl acetyl ricinoleate C21H38O4 354.277 NA KEGG NA NA +C12281 Transferred to D01084 C21H38O4 354.277 NA KEGG NA NA +C12282 Polyvinyl acetate C21H38O4 354.277 NA KEGG NA NA +C12283 Transferred to D01085 C21H38O4 354.277 NA KEGG NA NA +HMDB11538 MG(0:0/18:2(9Z,12Z)/0:0) C21H38O4 354.277008 NA HMDB2010 NA NA +HMDB11568 MG(18:2(9Z,12Z)/0:0/0:0) C21H38O4 354.277008 NA HMDB2010 NA NA +MJ043821 14-Methylene-2,10-phytadiene-1,12,19,20-tetrol C21H38O4 354.277009 NA MeJP NA NA +MJ043822 4,5-Dihydro-4-hydroxy-5-methyl-2-tetradecyl-2(3H)-furanone, Ac C21H38O4 354.277009 NA MeJP NA NA +MJ043823 4,6-Diethyl-6-(4-ethyl-2-methyl-1,5-octadienyl)-1,2-dioxane-3-acetic acid, 7,8-Dihydro C21H38O4 354.277009 NA MeJP NA NA +MJ043824 4,6-Diethyl-6-(4-ethyl-2-methyl-5-octenyl)-3,6-dihydro-1,2-dioxin-3-acetic acid; 11,12-Dihydro C21H38O4 354.277009 NA MeJP NA NA +MJ043825 Amphiasterin B1 C21H38O4 354.277009 NA MeJP NA NA +MJ043826 Deprostil C21H38O4 354.277009 NA MeJP NA NA +MJ043827 Glycerol 1-alkanoates; Glycerol 1-(9Z,12Z-octadecadienoate) C21H38O4 354.277009 NA MeJP NA NA +MJ043828 Rioprostil C21H38O4 354.277009 NA MeJP NA NA +MJ043829 Secoplakortide H C21H38O4 354.277009 NA MeJP NA NA +MJ043830 Holarrhine C20H38N2O3 354.288243 NA MeJP NA NA +MJ043831 26,27-Dinorcholest-5-en-23-yn-3-ol C25H38O 354.292265 NA MeJP NA NA +MJ043832 Cerorubenol I C25H38O 354.292265 NA MeJP NA NA +MJ043833 Furospinulosin 1 C25H38O 354.292265 NA MeJP NA NA +MJ043834 16-Hydroxy-12-docosenoic acid C22H42O3 354.313395 NA MeJP NA NA +MJ043835 2-Hydroxy-13-docosenoic acid C22H42O3 354.313395 NA MeJP NA NA +MJ043836 7-Hydroxy-8,18-dimethyl-9-eicosenoic acid C22H42O3 354.313395 NA MeJP NA NA +MJ043837 21-Methyldocosanoic acid C23H46O2 354.34978 NA MeJP NA NA +MJ043838 4,6-Tricosanedione; 4-Alcohol C23H46O2 354.34978 NA MeJP NA NA +MJ043839 4,6-Tricosanedione; 6-Alcohol C23H46O2 354.34978 NA MeJP NA NA +MJ043840 6,8-Tricosanedione; 6-Alcohol C23H46O2 354.34978 NA MeJP NA NA +MJ043841 6,8-Tricosanedione; 8-Alcohol C23H46O2 354.34978 NA MeJP NA NA +MJ043842 Docosanoic acid; Me ester C23H46O2 354.34978 NA MeJP NA NA +MJ043843 Tricosanoic acid C23H46O2 354.34978 NA MeJP NA NA +HMDB01160 Tricosanoic acid C23H46O2 354.34979 http://www.hmdb.ca/metabolites/HMDB01160 HMDB NA NA +HMDB01160 Tricosanoic acid C23H46O2 354.34979 HMDB01160 PFEM_hmdb_metabocards_official NA NA +HMDB01160 Tricosanoic acid C23H46O2 354.349792 NA HMDB2010 NA NA +MJ043844 1-Tetracosanol C24H50O 354.386166 NA MeJP NA NA +C11068 MC-5127 C15H11Cl2NO5 355.0014 NA KEGG NA NA +MJ043845 Thiamphenicol C12H15Cl2NO5S 355.004798 NA MeJP NA NA +C12853 Thiamphenicol C12H15Cl2NO5S 355.0048 NA KEGG NA NA +C12854 Transferred to D01408 C12H15Cl2NO5S 355.0048 NA KEGG NA NA +C12855 Transferred to D01409 C12H15Cl2NO5S 355.0048 NA KEGG NA NA +C12856 Transferred to D01410 C12H15Cl2NO5S 355.0048 NA KEGG NA NA +C12857 Transferred to D01411 C12H15Cl2NO5S 355.0048 NA KEGG NA NA +C12858 Transferred to D01412 C12H15Cl2NO5S 355.0048 NA KEGG NA NA +MJ043846 2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine C7H11N5O8P2 355.008285 NA MeJP NA NA +MetaCyc03161 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine diphosphate [6-hydroxymethyl-dihydropterin pyrophosphate;2-amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)-pteridine;dihydropterin-CH2OH-diphosphate;dihydropterin-CH2OH-pp;] C7H11N5O8P2 355.008285 NA metacyc NA NA +C04807 2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine C7H11N5O8P2 355.0083 NA KEGG NA NA +MJ043847 N-[[5-Deoxy-5-(dimethylarsinoyl)ribofuranosyl]oxycarbonyl]glycine; ?-D-form C10H18AsNO8 355.024837 NA MeJP NA NA +MJ043848 Succinylsulfathiazole C13H13N3O5S2 355.029661 NA MeJP NA NA +C11745 Succinyl sulfathiazole C13H13N3O5S2 355.0297 NA KEGG NA NA +C11746 Penillic acid C9H11N2O4SR 355.0297 NA KEGG NA NA +C11747 Penicillenic acid C10H12NO4SR 355.0297 NA KEGG NA NA +MJ043849 Iometin C14H18IN3 355.054541 NA MeJP NA NA +MJ043850 2,4-Dihydroxy-3-methylenebutanoic acid, Nitrile, 2-O-?-D-glucopyranoside, 5-O-sulfate C11H17NO10S 355.057316 NA MeJP NA NA +MJ043851 Coptisine; Chloride C19H14ClNO4 355.061135 NA MeJP NA NA +MJ043852 2-Chloro-5-[[(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoic acid; Isopropyl ester C16H18ClNO4S 355.064506 NA MeJP NA NA +MJ043853 6-Hydroxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Me ether, Me ester C18H13NO7 355.069201 NA MeJP NA NA +MJ043854 8-Methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Me ester C18H13NO7 355.069201 NA MeJP NA NA +MJ043855 Debilic acid C18H13NO7 355.069201 NA MeJP NA NA +PJ000486 CCM C11H21N3O4S3 355.0694 NA PeJP NA NA +MJ043856 Tiaramide C15H18ClN3O3S 355.075739 NA MeJP NA NA +MJ043857 Corlumine, Di-O-de-Me C19H17NO6 355.105587 NA MeJP NA NA +MJ043858 Rugosinone; 3,4-Dihydro C19H17NO6 355.105587 NA MeJP NA NA +MJ043859 Tinofedrine C20H21NOS2 355.106455 NA MeJP NA NA +MJ043860 6-Amino-2-(1-azabicyclo[2.2.2]oct-3-yl)-5-chloro-1H-benz[d,e]isoquinoline-1,3(2H)-dione C19H18ClN3O2 355.108754 NA MeJP NA NA +MJ043861 Chondrosine C12H21NO11 355.11146 NA MeJP NA NA +MJ043862 Hyalbiuronic acid C12H21NO11 355.11146 NA MeJP NA NA +MJ043863 Asperopterin B; O-?-D-Ribofuranoside C13H17N5O7 355.112797 NA MeJP NA NA +MJ043864 N-(6-Hydroxy-9-?-D-ribofuranosyl-9H-purin-2-yl)alanine C13H17N5O7 355.112797 NA MeJP NA NA +MJ043865 9-Hydroxy-6-hydroxymethyl-1-phenazinecarboxylic acid; 9-Me ether, 1'-O-(2-aminopropanoyl) C18H17N3O5 355.11682 NA MeJP NA NA +PJ000487 ACY C15H21N3O5S 355.1202 NA PeJP NA NA +C17303 AL-321 C20H21NO3S 355.1242 NA KEGG NA NA +MJ043866 Plafibride C16H22ClN3O4 355.129883 NA MeJP NA NA +PJ000488 PCH C14H21N5O4S 355.1314 NA PeJP NA NA +MJ043867 4-Methoxy-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide C22H17N3O2 355.132076 NA MeJP NA NA +C11568 (5,12,13-Triaza-indeno[1,2-b]anthracen-13-yl)-acetic acid ethyl C22H17N3O2 355.1321 NA KEGG NA NA +MJ043868 3-(4-Chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid, Ph ester C21H22ClNO2 355.133906 NA MeJP NA NA +MJ043869 Enviradene C19H21N3O2S 355.135447 NA MeJP NA NA +PJ000489 SSY C15H21N3O7 355.138 NA PeJP NA NA +MJ043870 1,2,10-Trimethoxyaporphine, O10,N-Di-de-Me, N-methoxycarbonyl C20H21NO5 355.141972 NA MeJP NA NA +MJ043871 1,2-Dihydro-1,2-dihydroxyacromycine C20H21NO5 355.141972 NA MeJP NA NA +MJ043872 1,3,5,6-Tetrahydroxy-2-prenylacridone; O5,N-Di-Me C20H21NO5 355.141972 NA MeJP NA NA +MJ043873 Baicaline C20H21NO5 355.141972 NA MeJP NA NA +MJ043874 Bulbocapnine, Me ether, N-oxide(?-) C20H21NO5 355.141972 NA MeJP NA NA +MJ043875 Bulbocapnine, Me ether, N-oxide(?-) C20H21NO5 355.141972 NA MeJP NA NA +MJ043876 Buxifoline, 7S-Hydroxy, N-Me C20H21NO5 355.141972 NA MeJP NA NA +MJ043877 Cassyfiline; Me ether C20H21NO5 355.141972 NA MeJP NA NA +MJ043878 Clausamine F; 3'-Hydroperoxide, 1-Me ether C20H21NO5 355.141972 NA MeJP NA NA +MJ043879 Colchiritchine C20H21NO5 355.141972 NA MeJP NA NA +MJ043880 Corydalisol C20H21NO5 355.141972 NA MeJP NA NA +MJ043881 Crebanine, 4S-Hydroxy C20H21NO5 355.141972 NA MeJP NA NA +MJ043882 Crebanine, 7R-Hydroxy C20H21NO5 355.141972 NA MeJP NA NA +MJ043883 Crebanine, N-Oxide C20H21NO5 355.141972 NA MeJP NA NA +MJ043884 Crotonosine, Me ether, N-methoxycarbonyl C20H21NO5 355.141972 NA MeJP NA NA +MJ043885 Dicentrine, 4S-Hydroxy C20H21NO5 355.141972 NA MeJP NA NA +MJ043886 Duguetine C20H21NO5 355.141972 NA MeJP NA NA +MJ043887 Duguevanine, N-Me C20H21NO5 355.141972 NA MeJP NA NA +MJ043888 Fumaritine; Natural-form C20H21NO5 355.141972 NA MeJP NA NA +MJ043889 Fumarizine C20H21NO5 355.141972 NA MeJP NA NA +MJ043890 Gravacridonediol; 2'-Me ether C20H21NO5 355.141972 NA MeJP NA NA +MJ043891 Guattouregidine; O9-Me C20H21NO5 355.141972 NA MeJP NA NA +MJ043892 Hunnemannine C20H21NO5 355.141972 NA MeJP NA NA +MJ043893 Isocorypalmine, 8-Oxo C20H21NO5 355.141972 NA MeJP NA NA +MJ043894 Izmirine C20H21NO5 355.141972 NA MeJP NA NA +MJ043895 Junosine; 4-Methoxy C20H21NO5 355.141972 NA MeJP NA NA +MJ043896 Leucoxine C20H21NO5 355.141972 NA MeJP NA NA +MJ043897 Marshaline C20H21NO5 355.141972 NA MeJP NA NA +MJ043898 Marshmine C20H21NO5 355.141972 NA MeJP NA NA +MJ043899 Nantenine, 7-Hydroxy C20H21NO5 355.141972 NA MeJP NA NA +MJ043900 Ocokryptine C20H21NO5 355.141972 NA MeJP NA NA +MJ043901 Oliveridine, Me ether, N-oxide C20H21NO5 355.141972 NA MeJP NA NA +MJ043902 Ophiocarpine C20H21NO5 355.141972 NA MeJP NA NA +MJ043903 Phoebine, N-De-Me C20H21NO5 355.141972 NA MeJP NA NA +MJ043904 Polygospermine C20H21NO5 355.141972 NA MeJP NA NA +MJ043905 Prenylcitpressine C20H21NO5 355.141972 NA MeJP NA NA +MJ043906 Protopine; 14-Alcohol C20H21NO5 355.141972 NA MeJP NA NA +MJ043907 Repirinast C20H21NO5 355.141972 NA MeJP NA NA +MJ043908 Rubescenamine C20H21NO5 355.141972 NA MeJP NA NA +MJ043909 Thalicthuberine; N-De-Me, N-hydroxy C20H21NO5 355.141972 NA MeJP NA NA +MJ043910 Thalictrisine C20H21NO5 355.141972 NA MeJP NA NA +MJ043911 Thalimonine; O2-De-Me C20H21NO5 355.141972 NA MeJP NA NA +MJ043912 Thalimonine; O9-De-Me C20H21NO5 355.141972 NA MeJP NA NA +MJ043913 Zanthosin C20H21NO5 355.141972 NA MeJP NA NA +C10653 Buntanine C20H21NO5 355.142 NA KEGG NA NA +C07626 Amodiaquine C20H22ClN3O 355.1451 NA KEGG NA NA +MJ043914 Amodiaquine C20H22ClN3O 355.14514 NA MeJP NA NA +MJ043915 2,6-Bis(hydroxymethyl)-3,4,5-piperidinetriol, 5-O-?-D-Galactopyranoside C13H25NO10 355.147846 NA MeJP NA NA +MJ043916 2,6-Bis(hydroxymethyl)-3,4,5-piperidinetriol, 7-O-?-D-Glucopyranoside C13H25NO10 355.147846 NA MeJP NA NA +MJ043917 4-O-(2-Amino-2-deoxy-D-glucopyranosyl)-D-ribitol; N-Ac C13H25NO10 355.147846 NA MeJP NA NA +PJ000490 AEH C14H21N5O6 355.1492 NA PeJP NA NA +MJ043918 Lagunamycin C19H21N3O4 355.153206 NA MeJP NA NA +C01137 S-Adenosylmethioninamine C14H23N6O3S 355.1552 NA KEGG NA NA +MJ043919 S-Adenosylmethioninamine C14H23N6O3S 355.155234 NA MeJP NA NA +MetaCyc03162 S-adenosyl-L-methioninamine [decarboxylated AdoMet;(5-deoxy-5-adenosyl)(3-aminopropyl) methylsulfonium salt;decarboxylated SAM;S-adenosylmethioninamine;decarboxylated S-adenosylmethionine;dAdoMet;S-methyl-S-adenosyl homocysteamine;3-amino-propyl-S-adenosine;] C14H23N6O3S1 355.155234 NA metacyc NA NA +HMDB00988 S-Adenosylmethioninamine C14H23N6O3S 355.15524 http://www.hmdb.ca/metabolites/HMDB00988 HMDB NA NA +HMDB00988 S-Adenosylmethioninamine C14H23N6O3S 355.15524 HMDB00988 PFEM_hmdb_metabocards_official NA NA +HMDB00988 S-Adenosylmethioninamine C14H23N6O3S 355.155243 NA HMDB2010 NA NA +MJ043920 Prosulpride C16H25N3O4S 355.156576 NA MeJP NA NA +MJ043921 Emiglitate C17H25NO7 355.163102 NA MeJP NA NA +MJ043922 Batanopride C17H26ClN3O3 355.166269 NA MeJP NA NA +8000 synthetic peptide LHS 355.174 ACE inhibitor Inhouse_peptide NA peptide +MJ043923 2-Methoxyatherosperminine; N-Oxide C21H25NO4 355.178358 NA MeJP NA NA +MJ043924 4-(4,4-Diphenylbutyl)glutamic acid C21H25NO4 355.178358 NA MeJP NA NA +MJ043925 8-(3,3-Dimethylallyloxy)-N-methylflindersine; 7-Methoxy C21H25NO4 355.178358 NA MeJP NA NA +MJ043926 Argemonine C21H25NO4 355.178358 NA MeJP NA NA +MJ043927 Catalpifoline, N-Me C21H25NO4 355.178358 NA MeJP NA NA +MJ043928 Corybulbine C21H25NO4 355.178358 NA MeJP NA NA +MJ043929 Corydalidzine, O3-Me C21H25NO4 355.178358 NA MeJP NA NA +MJ043930 Corydinemethine C21H25NO4 355.178358 NA MeJP NA NA +MJ043931 Corytenchirine C21H25NO4 355.178358 NA MeJP NA NA +MJ043932 Delavayine B C21H25NO4 355.178358 NA MeJP NA NA +MJ043933 Dysazecine C21H25NO4 355.178358 NA MeJP NA NA +MJ043934 Dysoxyline C21H25NO4 355.178358 NA MeJP NA NA +MJ043935 Fissicesine; N-Oxide C21H25NO4 355.178358 NA MeJP NA NA +MJ043936 Glaucine C21H25NO4 355.178358 NA MeJP NA NA +MJ043937 Isocorybulbine C21H25NO4 355.178358 NA MeJP NA NA +MJ043938 Lienkonine C21H25NO4 355.178358 NA MeJP NA NA +MJ043939 N-Methylsecoglaucine; N-De-Me C21H25NO4 355.178358 NA MeJP NA NA +MJ043940 N-Methylsecoglaucine; O1-De-Me C21H25NO4 355.178358 NA MeJP NA NA +MJ043941 N-Methylsecoglaucine; O8-De-Me C21H25NO4 355.178358 NA MeJP NA NA +MJ043942 Nalmexone C21H25NO4 355.178358 NA MeJP NA NA +MJ043943 Platycerine, Me ether C21H25NO4 355.178358 NA MeJP NA NA +MJ043944 Secocularidine; Me ether C21H25NO4 355.178358 NA MeJP NA NA +MJ043945 Secosarcocapnidine; Me ether C21H25NO4 355.178358 NA MeJP NA NA +MJ043946 Tetrahydropalmatine C21H25NO4 355.178358 NA MeJP NA NA +MJ043947 Thalisopavine, Me ether C21H25NO4 355.178358 NA MeJP NA NA +MJ043948 Uvariopsamine; N-De-Me C21H25NO4 355.178358 NA MeJP NA NA +MJ043949 Xylopinine C21H25NO4 355.178358 NA MeJP NA NA +MJ043950 Tetrahydropalmatine C21H25NO4 355.178358 NA MeJP NA NA +MJ043951 Corydalmine, N-Me C21H26NO4(+) 355.178358 NA MeJP NA NA +MJ043952 Corydine, N-Me C21H26NO4(+) 355.178358 NA MeJP NA NA +MJ043953 Corypalmine, N-Me C21H26NO4(+) 355.178358 NA MeJP NA NA +MJ043954 Cularine, N-Me C21H26NO4(+) 355.178358 NA MeJP NA NA +MJ043955 Isocorydine, N-Me C21H26NO4(+) 355.178358 NA MeJP NA NA +MJ043956 Isocorypalmine, ?-N-Me C21H26NO4(+) 355.178358 NA MeJP NA NA +MJ043957 Isoscoulerine, O9,N-Di-Me C21H26NO4(+) 355.178358 NA MeJP NA NA +MJ043958 Lauroscholtzine, N-Me C21H26NO4(+) 355.178358 NA MeJP NA NA +MJ043959 Platycerine, N-Me C21H26NO4(+) 355.178358 NA MeJP NA NA +MJ043960 Romneine, N-Me C21H26NO4(+) 355.178358 NA MeJP NA NA +MJ043961 Thaliporphine, N-Me C21H26NO4(+) 355.178358 NA MeJP NA NA +MetaCyc03163 tetrahydropalmatine [] C21H25N1O4 355.178358 10097-84-4 metacyc NA NA +C02890 Tetrahydropalmatine C21H25NO4 355.1784 NA KEGG NA NA +C09341 (-)-Argemonine C21H25NO4 355.1784 NA KEGG NA NA +C09446 Glaucine C21H25NO4 355.1784 NA KEGG NA NA +C09671 Xylopinine C21H25NO4 355.1784 NA KEGG NA NA +3491 ACE inhibitor from sake lees IYPRY 355.1815 MH2+ Inhouse_peptide NA peptide +PJ000491 SLH C15H25N5O5 355.1856 NA PeJP NA NA +MJ043962 Imoxiterol C20H25N3O3 355.189591 NA MeJP NA NA +MJ043963 Martefragin A C20H25N3O3 355.189591 NA MeJP NA NA +MJ043964 Virgiline; 2,3-Didehydro, 2-pyrrolecarboxylate C20H25N3O3 355.189591 NA MeJP NA NA +MJ043965 Moperone C22H26FNO2 355.194757 NA MeJP NA NA +MJ043966 2-(3,7-Dimethyl-2,6-octadienyl)-3-methyl-4(1H)-quinolinone, N-(Methylthiomethyl) C22H29NOS 355.196985 NA MeJP NA NA +MJ043967 Diprofene C22H29NOS 355.196985 NA MeJP NA NA +MJ043968 Xenthiorate C22H29NOS 355.196985 NA MeJP NA NA +CJneg0534 Octanoylcarnitine isomer [(M-H)+(HCOONa)]- C16H29NNaO6 355.197625 C18rt(min)=7.5 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0551 Octanoylcarnitine [(M-H)+(HCOONa)]- C16H29NNaO6 355.197625 C18rt(min)=7.86 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0534 Octanoylcarnitine isomer [(M-H)+(HCOONa)]- C16H29NNaO6 355.197625 C18rt(min)=7.5 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0551 Octanoylcarnitine [(M-H)+(HCOONa)]- C16H29NNaO6 355.197625 C18rt(min)=7.86 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ043969 1-Hydroxymethylpyrrolizidine methyl 2-O-acetyl-2-isopropylmalate C18H29NO6 355.199487 NA MeJP NA NA +MJ043970 Antibiotic H 85 C18H29NO6 355.199487 NA MeJP NA NA +MJ043971 Heliotrine; 2'-Ac C18H29NO6 355.199487 NA MeJP NA NA +MJ043972 Ipanguline D3; 2'' or 3''-Tigloyl C18H29NO6 355.199487 NA MeJP NA NA +MJ043973 Senecicaudatin; O-(3-Methylbutanoyl) C18H29NO6 355.199487 NA MeJP NA NA +MJ043974 Antibiotic TAN 1057A C13H25N9O3 355.208035 NA MeJP NA NA +MJ043975 Antibiotic TAN 1057C C13H25N9O3 355.208035 NA MeJP NA NA +C08710 Spirasine I C22H29NO3 355.2147 NA KEGG NA NA +MJ043976 15-Cyanopuupehenol C22H29NO3 355.214743 NA MeJP NA NA +MJ043977 Cyclopiperstachine C22H29NO3 355.214743 NA MeJP NA NA +MJ043978 Cyprodime C22H29NO3 355.214743 NA MeJP NA NA +MJ043979 Dehydronapelline; 12-Ketone C22H29NO3 355.214743 NA MeJP NA NA +MJ043980 Nakijinol C22H29NO3 355.214743 NA MeJP NA NA +MJ043981 Norethisterone; Ac, 3-oxime C22H29NO3 355.214743 NA MeJP NA NA +MJ043982 Piperstachine C22H29NO3 355.214743 NA MeJP NA NA +MJ043983 Retrofractamides; Retrofractamide B C22H29NO3 355.214743 NA MeJP NA NA +MJ043984 Songorine; 1-Ketone C22H29NO3 355.214743 NA MeJP NA NA +MJ043985 Spiradine B; 11-Ac C22H29NO3 355.214743 NA MeJP NA NA +MJ043986 Spirasine VII; 16-Deoxy, 15,16-didehydro C22H29NO3 355.214743 NA MeJP NA NA +MJ043987 Spirasine VII; 16-Deoxy, 16,17-didehydro C22H29NO3 355.214743 NA MeJP NA NA +MJ043988 Talassamine; O15-Ac C22H29NO3 355.214743 NA MeJP NA NA +MJ043989 Talassamine; O7-Ac C22H29NO3 355.214743 NA MeJP NA NA +MJ043990 7-Amino-2,10-bisaboladiene C18H33N3O2S 355.229348 NA MeJP NA NA +MJ043991 Agelasidine A C18H33N3O2S 355.229348 NA MeJP NA NA +MJ043992 20-Aminopregna-1,4-dien-3-one, N,N-Di-Me, 18-oxo C23H33NO2 355.251129 NA MeJP NA NA +MJ043993 3-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1H-indole; 8',9'-Dihydroxy, 6',7'-dihydro C23H33NO2 355.251129 NA MeJP NA NA +MJ043994 Azastene C23H33NO2 355.251129 NA MeJP NA NA +MJ043995 Nicanartine C23H33NO2 355.251129 NA MeJP NA NA +MJ043996 Xipranolol C23H33NO2 355.251129 NA MeJP NA NA +MJ043997 Xyloxemine C23H33NO2 355.251129 NA MeJP NA NA +MJ043998 Spongidine A C23H34NO2(+) 355.251129 NA MeJP NA NA +MJ043999 2-(Aminomethyl)-2-propenoic acid; N-(2-Hydroxypentadecanoyl), Me ester C20H37NO4 355.272258 NA MeJP NA NA +MJ044000 Buxtauine M; Deoxy C24H37NO 355.287514 NA MeJP NA NA +MJ044001 Cyclobuxophylline O C24H37NO 355.287514 NA MeJP NA NA +C10997 Guazatine C18H41N7 355.3423 NA KEGG NA NA +MetaCyc03164 guazatine [] C18H41N7 355.342344 NA metacyc NA NA +2878 opioid fragment of beta-lipotropin L-enkephalin-R YGGFLR 355.679 MH2+ Inhouse_peptide NA peptide +MJ044002 2,3,5-Tribromo-4-hydroxybenzaldehyde C7H3Br3O2 355.768317 NA MeJP NA NA +MJ044003 (4-Chlorophenyl)-2-thienyliodonium(1+); Chloride C10H7Cl2IS 355.869019 NA MeJP NA NA +MJ044004 Discodermindole C11H10Br2N4 355.927221 NA MeJP NA NA +MJ044005 Didemnimide A; 6-Bromo C15H9BrN4O2 355.990888 NA MeJP NA NA +MetaCyc03165 methanofuran biosynththesis intermediate MF1 [] C6H14O13P2 355.990964 NA metacyc NA NA +MJ044006 Sulfabromomethazine C12H13BrN4O2S 355.994259 NA MeJP NA NA +MJ044007 Agelastatin A; 6b-Hydroxy C12H13BrN4O4 356.012017 NA MeJP NA NA +MJ044008 Hyalodendrin, Trisulfide analogue C14H16N2O3S3 356.032304 NA MeJP NA NA +MJ044009 Chebulic acid C14H12O11 356.037961 NA MeJP NA NA +HMDB06910 Aminoacyl-phosphatidylglycerol C10H15NO11P 356.03827 http://www.hmdb.ca/metabolites/HMDB06910 HMDB NA NA +HMDB06910 Aminoacyl-phosphatidylglycerol C10H15NO11P 356.03827 HMDB06910 PFEM_hmdb_metabocards_official NA NA +C14838 Y 23684 C18H13ClN2O2S 356.0386 NA KEGG NA NA +MJ044010 Clathramide A C13H17BrN4O3 356.048403 NA MeJP NA NA +MJ044011 Midpacamide; 5-Debromo C13H17BrN4O3 356.048403 NA MeJP NA NA +MJ044012 Octosyl acid B; 5-Carboxylic acid, 5'-ketone C13H12N2O10 356.049194 NA MeJP NA NA +FL3FACNI0002 Demethyltorosaflavone D C18H12O8 356.05321 145194-16-7 knapsack NA NA +FLIEECNS0001 2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan C18H12O8 356.05321 35930-41-7 knapsack NA NA +FLIFWYNS0004 Repenone;6a,12a-Dehydro-9,10,11-trihydroxy-6-acetoxyrotenone C18H12O8 356.05321 128486-15-7 knapsack NA NA +MJ044013 1,2,3,8,9-Pentahydroxycoumestan; 1,3-Di-Me, 8,9-methylene ether C18H12O8 356.053217 NA MeJP NA NA +MJ044014 3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-diene-9,9'-dioic acid C18H12O8 356.053217 NA MeJP NA NA +MJ044015 Araliorhamnone C; 8-Me ether, 5-hydroxy C18H12O8 356.053217 NA MeJP NA NA +MJ044016 Coccineone B; 2-Hydroxy, 6-Ac C18H12O8 356.053217 NA MeJP NA NA +MJ044017 Dothistromin; 2-Deoxy C18H12O8 356.053217 NA MeJP NA NA +MJ044018 Grevilline A; 2',3'',5'-Trihydroxy, 4'-deoxy C18H12O8 356.053217 NA MeJP NA NA +MJ044019 Grevilline A; 3',3''-Dihydroxy C18H12O8 356.053217 NA MeJP NA NA +MJ044020 Isoxerocomic acid C18H12O8 356.053217 NA MeJP NA NA +MJ044021 Paeciloquinone A C18H12O8 356.053217 NA MeJP NA NA +MJ044022 Schizotenuin D C18H12O8 356.053217 NA MeJP NA NA +MJ044023 Torosaflavone D; De-O-Me C18H12O8 356.053217 NA MeJP NA NA +MJ044024 Usararotenoid A C18H12O8 356.053217 NA MeJP NA NA +MJ044025 Versicolorin A, 2,3-Dihydro, 3S-hydroxy C18H12O8 356.053217 NA MeJP NA NA +MJ044026 Xerocomic acid C18H12O8 356.053217 NA MeJP NA NA +C13703 IAA-94 C17H18Cl2O4 356.0582 NA KEGG NA NA +MJ044027 1-(4-Bromo-2,5-dihydroxyphenyl)-7-hydroxy-3,7-dimethyl-2-octen-1-one C16H21BrO4 356.062321 NA MeJP NA NA +MJ044028 Antibiotic C4; Deoxy C14H16N2O7S 356.067821 NA MeJP NA NA +MJ044029 Fletazepam C17H13ClF4N2 356.070338 NA MeJP NA NA +C04454 5-Amino-6-(5'-phosphoribitylamino)uracil C9H17N4O9P 356.0733 NA KEGG NA NA +HMDB03841 5-Amino-6-(5'-phosphoribitylamino)uracil C9H17N4O9P 356.073303 NA HMDB2010 NA NA +MJ044030 5-Amino-6-(5'-phosphoribitylamino)uracil C9H17N4O9P 356.073314 NA MeJP NA NA +MetaCyc03166 5-amino-6-(5'-phosphoribitylamino)uracil [5-amino-6-(5'-phosphoribitylamino)uracil;5-amino-6-ribitylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate;] C9H17N4O9P1 356.073315 NA metacyc NA NA +MJ044031 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5-O-?-D-Glucopyranoside C15H16O10 356.074346 NA MeJP NA NA +MJ044032 6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-O-?-D-Glucopyranoside C15H16O10 356.074346 NA MeJP NA NA +MJ044033 Gliotoxin; S,S'-Me C15H20N2O4S2 356.086448 NA MeJP NA NA +C01531 Sulindac C20H17FO3S 356.0882 NA KEGG NA NA +C01532 Synapsin C20H17FO3S 356.0882 NA KEGG NA NA +MJ044034 Sulindac C20H17FO3S 356.088243 NA MeJP NA NA +C12372 Tetracenomycin M C19H16O7 356.0896 NA KEGG NA NA +C12451 Fridamycin E C19H16O7 356.0896 NA KEGG NA NA +FL3FDHNS0001 5,7,3'-Trimethoxy-4',5'-methylenedioxyflavone C19H16O7 356.0896 89029-11-8 knapsack NA NA +FL3FECNS0022 Ageconyflavone A;3',4'-Methylenedioxy-5,6,7-trimethoxyflavone;2-(1,3-Benzodioxol-5-yl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one C19H16O7 356.0896 106636-80-0 knapsack NA NA +FL5F1GNS0002 Kanugin C19H16O7 356.0896 574-03-8 knapsack NA NA +FL5FDCNS0005 Isokanugin;3,5,7-Trimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-3,5,7-trimethoxy-4H-1-benzopyran-4-one C19H16O7 356.0896 4494-27-3 knapsack NA NA +FL5FF9NS0014 Isognaphalin 8-acetate C19H16O7 356.0896 98204-86-5 knapsack NA NA +FLIA2GNS0001 6,7,3'-Trimethoxy-4',5'-methylenedioxyisoflavone C19H16O7 356.0896 24203-70-1 knapsack NA NA +FLIA2LNS0003 Milldurone C19H16O7 356.0896 24195-15-1 knapsack NA NA +FLIA3LNS0001 7,8,2'-Trimethoxy-4',5'-methylenedioxyisoflavone C19H16O7 356.0896 21495-87-4 knapsack NA NA +FLIA4CNS0001 Petalostetin C19H16O7 356.0896 71339-42-9 knapsack NA NA +FLIA4CNS0002 8,3',4'-Trimethoxy-6,7-methylenedioxyisoflavone C19H16O7 356.0896 61243-77-4 knapsack NA NA +FLIAE8NS0004 Hemerocallone;5,2',5'-Trimethoxy-6,7-methylenedioxyisoflavone C19H16O7 356.0896 82869-19-0 knapsack NA NA +FLIAECNS0006 Odoratine;5,6,7-Trimethoxy-3',4'-methylenedioxyisoflavone C19H16O7 356.0896 51986-39-1 knapsack NA NA +FLIAECNS0007 Iriskumaonin methyl ether;3'-O-Methyliriskumaonin;5,3',4'-Trimethoxy-6,7-methylenedioxyisoflavone C19H16O7 356.0896 2798-43-8 knapsack NA NA +FLIHDCNS0001 Derrusnin;4,5,7-Trimethoxy-3-(3,4-methylenedioxyphenyl)coumarin C19H16O7 356.0896 14736-62-0 knapsack NA NA +MJ044035 1,3,8,9-Tetrahydroxycoumestan; Tetra-Me ether C19H16O7 356.089602 NA MeJP NA NA +MJ044036 2',4',5',6,7-Pentahydroxyisoflavone; 4',5'-Methylene, 2',6,7-tri-Me ether C19H16O7 356.089602 NA MeJP NA NA +MJ044037 2',4',5',7,8-Pentahydroxyisoflavone; 2',7,8-Tri-Me, 4',5'-methylene ether C19H16O7 356.089602 NA MeJP NA NA +MJ044038 2',5,5',6,7-Pentahydroxyisoflavone; 2',5,5'-Tri-Me, 6,7-methylene ether C19H16O7 356.089602 NA MeJP NA NA +MJ044039 3',4',5',6,7-Pentahydroxyisoflavone; 3',6,7-Tri-Me, 4',5'-methylenedioxy ether C19H16O7 356.089602 NA MeJP NA NA +MJ044040 3',4',5,5',7-Pentahydroxyflavone; 3',4'-Methylene, 5,5',7'-tri-Me ether C19H16O7 356.089602 NA MeJP NA NA +MJ044041 3',4',5,6,7-Pentahydroxyflavone; 3',4'-Methylene, 5,6,7-tri-Me ether C19H16O7 356.089602 NA MeJP NA NA +MJ044042 3',4',5,6,7-Pentahydroxyisoflavone; 3',4',5-Tri-Me, 6,7-methylene ether C19H16O7 356.089602 NA MeJP NA NA +MJ044043 3',4',5,6,7-Pentahydroxyisoflavone; 5,6,7-Tri-Me, 3',4'-methylene ether C19H16O7 356.089602 NA MeJP NA NA +MJ044044 3',4',5,7,8-Pentahydroxyflavone; 3',4'-Methylene, 5,7,8-tri-Me ether C19H16O7 356.089602 NA MeJP NA NA +MJ044045 3',4',5,7,8-Pentahydroxyisoflavone; 3',4'-Methylene, 5,7,8-tri-Me ether C19H16O7 356.089602 NA MeJP NA NA +MJ044046 3',4',6,7,8-Pentahydroxyisoflavone; 3',4',8-Tri-Me, 6,7-methylene ether C19H16O7 356.089602 NA MeJP NA NA +MJ044047 3',4',6,7,8-Pentahydroxyisoflavone; 6,7,8-Tri-Me, 3',4'-methylene ether C19H16O7 356.089602 NA MeJP NA NA +MJ044048 3,3',4',5',7-Pentahydroxyflavone; 4',5'-Methylene 3,3',7-tri-Me ether C19H16O7 356.089602 NA MeJP NA NA +MJ044049 3,4,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; 3,4-Di-Me ether, Me ester C19H16O7 356.089602 NA MeJP NA NA +MJ044050 3,5,7,8-Tetrahydroxyflavone; 3,7-Di-Me ether, 8-Ac C19H16O7 356.089602 NA MeJP NA NA +MJ044051 3,7,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; 3,8-Di-Me ether, Me ester C19H16O7 356.089602 NA MeJP NA NA +MJ044052 5,7-Dihydroxy-6,8-dimethyl-3-(2,3,4-trihydroxybenzyl)chromone; 3',4'-Methylene ether C19H16O7 356.089602 NA MeJP NA NA +MJ044053 ?1-Rhodomycinone C19H16O7 356.089602 NA MeJP NA NA +MJ044054 Austrocorticinic acid C19H16O7 356.089602 NA MeJP NA NA +MJ044055 Butyrolactone II C19H16O7 356.089602 NA MeJP NA NA +MJ044056 Derrusnin C19H16O7 356.089602 NA MeJP NA NA +MJ044057 Fridamycin A; Aglycone C19H16O7 356.089602 NA MeJP NA NA +MJ044058 Methylophiopogonone A; 2,3-Dihydro, 1''-oxo C19H16O7 356.089602 NA MeJP NA NA +MJ044059 Psorofebrin C19H16O7 356.089602 NA MeJP NA NA +MJ044060 Psorospermin; 5'-Hydroxy C19H16O7 356.089602 NA MeJP NA NA +MJ044061 Rhodocomatulin; 7-Me ether C19H16O7 356.089602 NA MeJP NA NA +MJ044062 Sterigmatocystin; 1,2-Dihydro, 2-hydroxy, Me ether C19H16O7 356.089602 NA MeJP NA NA +MJ044063 Terphenyllin; 3,3''-Dihydroxy, 6'-O-de-Me C19H16O7 356.089602 NA MeJP NA NA +MJ044064 2-O-?-D-Glucopyranuronosyl-D-mannose C12H20O12 356.095476 NA MeJP NA NA +MJ044065 3-O-?-D-Galactopyranuronosyl-D-galactose C12H20O12 356.095476 NA MeJP NA NA +MJ044066 3-O-?-D-Glucopyranuronosyl-D-galactose C12H20O12 356.095476 NA MeJP NA NA +MJ044067 3-O-?-D-Glucopyranuronosyl-D-galactose C12H20O12 356.095476 NA MeJP NA NA +MJ044068 4-O-?-D-Glucopyranuronosyl-D-galactose C12H20O12 356.095476 NA MeJP NA NA +MJ044069 4-O-?-D-Glucopyranuronosyl-D-glucose C12H20O12 356.095476 NA MeJP NA NA +MJ044070 4-O-?-D-Mannopyranuronosyl-D-glucose C12H20O12 356.095476 NA MeJP NA NA +MJ044071 4-O-?-D-Galactopyranuronosyl-D-galactose C12H20O12 356.095476 NA MeJP NA NA +MJ044072 4-O-?-D-Glucopyranuronosyl-D-galactose C12H20O12 356.095476 NA MeJP NA NA +MJ044073 4-O-?-D-Glucopyranuronosyl-L-galactose C12H20O12 356.095476 NA MeJP NA NA +MJ044074 6-O-?-D-Glucopyranuronosyl-D-glucose C12H20O12 356.095476 NA MeJP NA NA +MJ044075 Acaciabiuronic acid C12H20O12 356.095476 NA MeJP NA NA +MJ044076 1,4-Dihydro-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3-pyridinecarboxylic acid, Me ester C16H15F3N2O4 356.098391 NA MeJP NA NA +C13758 Bay-K-8644 C16H15F3N2O4 356.0984 NA KEGG NA NA +MJ044077 10-Bromo-3-chamigrene-1,9-diol; 1-Ac C17H25BrO3 356.098707 NA MeJP NA NA +MJ044078 Bufrolin C18H16N2O6 356.100836 NA MeJP NA NA +MJ044079 Minocromil C18H16N2O6 356.100836 NA MeJP NA NA +MJ044080 Dibenzo[b,j]dipyrido[4,3,2-de:2',3',4'-gh][1,10]phenanthroline C24H12N4 356.106196 NA MeJP NA NA +MJ044081 Russupteridine yellow IV; 2-Alcohol C12H16N6O7 356.108046 NA MeJP NA NA +C13403 Sodium caffeine benzoate C8H10N4O2 356.1097 NA KEGG NA NA +C13404 Transferred to D01926 C8H10N4O2 356.1097 NA KEGG NA NA +C13405 Transferred to D01927 C8H10N4O2 356.1097 NA KEGG NA NA +C13406 Transferred to D01928 C8H10N4O2 356.1097 NA KEGG NA NA +C13407 Transferred to D01929 C8H10N4O2 356.1097 NA KEGG NA NA +C13408 Transferred to D01930 C8H10N4O2 356.1097 NA KEGG NA NA +C13409 Transferred to D01931 C8H10N4O2 356.1097 NA KEGG NA NA +C13410 Transferred to D01932 C8H10N4O2 356.1097 NA KEGG NA NA +C13411 Transferred to D01933 C8H10N4O2 356.1097 NA KEGG NA NA +C13412 Transferred to D01934 C8H10N4O2 356.1097 NA KEGG NA NA +C13413 Transferred to D02589 C8H10N4O2 356.1097 NA KEGG NA NA +C09782 Gentiopicrin C16H20O9 356.1107 NA KEGG NA NA +C17759 1-O-Feruloyl-beta-D-glucose C16H20O9 356.1107 NA KEGG NA NA +MJ044082 1-O-p-Coumaroylglucose; ?-D-form, 2'-Hydroxy, 4'-Me ether C16H20O9 356.110732 NA MeJP NA NA +MJ044083 1-O-p-Coumaroylglucose; ?-D-form, 3'-Methoxy C16H20O9 356.110732 NA MeJP NA NA +MJ044084 3-(2,4-Dihydroxyphenyl)-2-propenoic acid, 4-Me ether, 2-O-?-D-glucopyranoside C16H20O9 356.110732 NA MeJP NA NA +MJ044085 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 4-O-?-D-Glucopyranoside C16H20O9 356.110732 NA MeJP NA NA +MJ044086 Bergenin; 8,10-Di-Me ether C16H20O9 356.110732 NA MeJP NA NA +MJ044087 Conocarpic acid; Me ester C16H20O9 356.110732 NA MeJP NA NA +MJ044088 Gentiopicroside C16H20O9 356.110732 NA MeJP NA NA +MJ044089 Radiatinol; O-?-D-Glucopyranoside C16H20O9 356.110732 NA MeJP NA NA +MJ044090 Veranisatin A; 15-Carboxylic acid, Me ester C16H20O9 356.110732 NA MeJP NA NA +MJ044091 Clocoumarol C21H21ClO3 356.117922 NA MeJP NA NA +MJ044092 Pioglitazone C19H20N2O3S 356.119463 NA MeJP NA NA +C07675 Pioglitazone C19H20N2O3S 356.1195 NA KEGG NA NA +C07676 Transferred to D00596 C19H20N2O3S 356.1195 NA KEGG NA NA +CJneg0552 Octanoylglucuronide [(M+Cl)]- C14H24ClO8 356.124325 C18rt(min)=8.06 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0552 Octanoylglucuronide [(M+Cl)]- C14H24ClO8 356.124325 C18rt(min)=8.06 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +FL1C1ANF0003 Brosimacutin G C20H20O6 356.12598 350221-50-0 knapsack NA NA +FL1C1LNI0007 Ramosismin;3'-Prenyl-2,4,5,2',4'-pentahydroxychalcone C20H20O6 356.12598 152340-07-3 knapsack NA NA +FL2F1LNF0001 2',4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone C20H20O6 356.12598 376590-18-0 knapsack NA NA +FL2FAANF0006 Phellodensin D;5,4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone C20H20O6 356.12598 531503-84-1 knapsack NA NA +FL2FAANI0026 Tomentosanol D;5,7,4'-Trihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)flavanone C20H20O6 356.12598 202054-73-7 knapsack NA NA +FL2FACNI0001 6-Prenyleriodictyol C20H20O6 356.12598 80931-12-0 knapsack NA NA +FL2FACNI0002 8-Prenyleriodictyol C20H20O6 356.12598 80931-11-9 knapsack NA NA +FL2FACNI0003 Sigmoidin B C20H20O6 356.12598 87746-47-2 knapsack NA NA +FL2FACNI0007 2'-Prenyleriodictyol C20H20O6 356.12598 109173-57-1 knapsack NA NA +FL2FACNI0012 Monotesone A;5,7,3'-Trihydroxy-4'-O-prenylflavanone C20H20O6 356.12598 208596-55-8 knapsack NA NA +FL2FACNI0014 (2S)-5,7,3',4'-Tetrahydroxy-6-(1,1-dimethylallyl)flavanone C20H20O6 356.12598 192572-94-4 knapsack NA NA +FL2FALNI0029 Leachianone G;5,7,2',4'-Tetrahydroxy-8-prenylflavanone C20H20O6 356.12598 152464-78-3 knapsack NA NA +FL2FALNP0019 Kenusanone J;(2S)-5,2',4'-Trihydroxy-6'',6''-dimethyldihydropyrano[2'',3'':7,8]flavanone C20H20O6 356.12598 151782-75-1 knapsack NA NA +FL2FFANI0001 Flowerone;5,7,8,4'-Tetrahydroxy-3'-prenylflavanone C20H20O6 356.12598 642066-47-5 knapsack NA NA +FL3F1ANI0003 Brosimacutin F;8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C20H20O6 356.12598 350221-42-0 knapsack NA NA +FL3FAANP0002 Laurifolin (flavonoid) C20H20O6 356.12598 - knapsack NA NA +FL4DAANI0001 Shuterin C20H20O6 356.12598 105377-77-3 knapsack NA NA +FL4DAANI0002 3,5,4'-Trihydroxy-7-prenyloxyflavanone C20H20O6 356.12598 78876-50-3 knapsack NA NA +FL4DAANI0003 3,5,7,4'-Tetrahydroxy-8-prenylflavanone C20H20O6 356.12598 52589-20-5 knapsack NA NA +FL4DAANP0002 3,5,4'-Trihydroxy-4'',5''-dihydro-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone C20H20O6 356.12598 523-60-4 knapsack NA NA +FL5FDBNM0002 Kalmiatin C20H20O6 356.12598 92830-14-3 knapsack NA NA +FLIB1LNI0003 5-Deoxykievitol C20H20O6 356.12598 104380-54-3 knapsack NA NA +FLIBALNI0001 Kievitone C20H20O6 356.12598 40105-60-0 knapsack NA NA +FLIBALNI0006 Diphysolone;5,7,2',4'-Tetrahydroxy-6-prenylisoflavanone C20H20O6 356.12598 88899-18-7 knapsack NA NA +MJ044093 1,2:15,16-Diepoxy-3,13(16),14-clerodatriene-17,12:18,19-diolide C20H20O6 356.125988 NA MeJP NA NA +MJ044094 1,3,5,8-Tetrahydroxy-2-prenylxanthone; 3,5-Di-Me ether C20H20O6 356.125988 NA MeJP NA NA +MJ044095 1,3,8-Trihydroxy-6-methylxanthone; 3-O-(2?-Methoxy-3-methyl-3-butenyl) C20H20O6 356.125988 NA MeJP NA NA +MJ044096 1-(2,5-Dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone; 3'',4''-Dihydroxy C20H20O6 356.125988 NA MeJP NA NA +MJ044097 10,14-Epoxy-8-hydroxy-3,11(13)-guaiadien-12,6-olide, 8-(3-Furoyl) C20H20O6 356.125988 NA MeJP NA NA +MJ044098 15,16-Epoxy-1-oxo-2,13(16),14-clerodatriene-17,12:18,19-diolide C20H20O6 356.125988 NA MeJP NA NA +MJ044099 15,16-Epoxy-10-hydroxy-2,7,13(16),14-clerodatetraene-17,12:18,19-diolide C20H20O6 356.125988 NA MeJP NA NA +MJ044100 15,16-Epoxy-10-hydroxy-3,7,13(16),14-clerodatetraene-17,12:18,19-diolide C20H20O6 356.125988 NA MeJP NA NA +MJ044101 15,16-Epoxy-19-hydroxy-3,13(16),14-clerodatriene-19,6:20,12-diolide, 8,17-Didehydro C20H20O6 356.125988 NA MeJP NA NA +MJ044102 15,16-Epoxy-2,13(16),14-clerodatriene-17,12:18,19-diolide, 1?,10?-Epoxide C20H20O6 356.125988 NA MeJP NA NA +MJ044103 15,16-Epoxy-6-hydroxy-3,13(16),14-clerodatriene-18,19:20,12-diolide, 6-Ketone C20H20O6 356.125988 NA MeJP NA NA +MJ044104 15,16-Epoxy-6-hydroxy-3,7,13(16),14-clerodatetraene-17,12:18,19-diolide C20H20O6 356.125988 NA MeJP NA NA +MJ044105 15,16-Epoxy-6-oxo-7,13(16),14-clerodatriene-17,12:18,19-diolide C20H20O6 356.125988 NA MeJP NA NA +MJ044106 15,16-Epoxy-8-hydroxy-1,3,13(16),14-clerodatetraene-17,12:18,6-diolide C20H20O6 356.125988 NA MeJP NA NA +MJ044107 2',3,4',7-Tetrahydroxy-8-prenylflavanone C20H20O6 356.125988 NA MeJP NA NA +MJ044108 2',4',5,7-Tetrahydroxy-3'-prenylisoflavanone C20H20O6 356.125988 NA MeJP NA NA +MJ044109 2',4',5,7-Tetrahydroxy-6-prenylisoflavanone C20H20O6 356.125988 NA MeJP NA NA +MJ044110 2',4',5,7-Tetrahydroxy-8-prenylflavanone C20H20O6 356.125988 NA MeJP NA NA +MJ044111 2',4',5,7-Tetrahydroxy-8-prenylisoflavanone C20H20O6 356.125988 NA MeJP NA NA +MJ044112 2,2',4,4',5-Pentahydroxy-3'-prenylchalcone C20H20O6 356.125988 NA MeJP NA NA +MJ044113 2-(4-Hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxybenzofuran-3-carboxaldehyde C20H20O6 356.125988 NA MeJP NA NA +MJ044114 2-Hydroxygarveatin B; 15-Oxo C20H20O6 356.125988 NA MeJP NA NA +MJ044115 3',4',5,7-Tetrahydroxy-2'-prenylflavanone C20H20O6 356.125988 NA MeJP NA NA +MJ044116 3',4',5,7-Tetrahydroxy-5'-prenylflavanone C20H20O6 356.125988 NA MeJP NA NA +MJ044117 3',4',5,7-Tetrahydroxy-5'-prenylisoflavanone C20H20O6 356.125988 NA MeJP NA NA +MJ044118 3',4',5,7-Tetrahydroxy-6-prenylflavanone C20H20O6 356.125988 NA MeJP NA NA +MJ044119 3',4',5,7-Tetrahydroxy-8-prenylflavanone C20H20O6 356.125988 NA MeJP NA NA +MJ044120 3',4',5,7-Tetrahydroxyflavanone, 4'-O-(3-Methyl-2-butenyl) C20H20O6 356.125988 NA MeJP NA NA +MJ044121 3',4'-Deoxypsorospermin, 3',4'-Dihydro, 3'-hydroxy, 5-Me ether C20H20O6 356.125988 NA MeJP NA NA +MJ044122 3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 7,8-Didehydro, 9-aldehyde, 3',5-di-Me ether C20H20O6 356.125988 NA MeJP NA NA +MJ044123 3'-O-Demethyldenudanolide B; 3',4'-Methylene ether C20H20O6 356.125988 NA MeJP NA NA +MJ044124 3,3',4,4',9,9'-Hexahydroxylign-7-ene, 3,4:3',4'-Bis(methylene) ether C20H20O6 356.125988 NA MeJP NA NA +MJ044125 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,4:3',4'-Bis(methylene) ether C20H20O6 356.125988 NA MeJP NA NA +MJ044126 3,3',4,4'-Tetrahydroxylign-7-en-9,9'-olide, 3,3'-Di-Me ether C20H20O6 356.125988 NA MeJP NA NA +MJ044127 3,3',4,4'-Tetrahydroxylignan-9,9'-olide, 3',4'-Methylene ether, 4-Me ether C20H20O6 356.125988 NA MeJP NA NA +MJ044128 3,3',4,4'-Tetrahydroxylignan-9,9'-olide, 3',4'-Methylene, 3-Me ether C20H20O6 356.125988 NA MeJP NA NA +MJ044129 3,4',5,7-Tetrahydroxy-6,8-dimethylflavone; 3,4',7-Tri-Me ether C20H20O6 356.125988 NA MeJP NA NA +MJ044130 3,4',5,7-Tetrahydroxy-6-prenylflavanone C20H20O6 356.125988 NA MeJP NA NA +MJ044131 3,4',5,7-Tetrahydroxyflavanone, 7-O-(3-Methyl-2-butenyl) C20H20O6 356.125988 NA MeJP NA NA +MJ044132 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1-O-(4-hydroxy-3-methoxycinnamoyl)(E-) C20H20O6 356.125988 NA MeJP NA NA +MJ044133 3-Hydroxy-2-oxo-1(10),3,7(11),8-guaiatetraen-12,6-olide, 3-(2,3-Epoxy-2-methylbutanoyl) C20H20O6 356.125988 NA MeJP NA NA +MJ044134 4',5,7-Trihydroxy-8-prenylflavanone, ?3''-Isomer, 2''-hydroxy C20H20O6 356.125988 NA MeJP NA NA +MJ044135 4',5,7-Trihydroxy-8-prenylisoflavone; 2'',3''-Dihydro, 3''-hydroxy C20H20O6 356.125988 NA MeJP NA NA +MJ044136 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 9-Aldehyde, 3',5-di-Me ether C20H20O6 356.125988 NA MeJP NA NA +MJ044137 4-[[2-(1,3-Benzodioxol-5-yl)carbonyl]-4-hydroxy-5-methoxyphenyl]-3-methyl-2-butanone C20H20O6 356.125988 NA MeJP NA NA +MJ044138 6-(1,1-Dimethyl-2-propenyl)-3',4',5,7-tetrahydroxyflavanone C20H20O6 356.125988 NA MeJP NA NA +MJ044139 7,12-Dihydroxy-11,14-dioxo-1,8,10(20),12-icetexatetraen-19,6-olide C20H20O6 356.125988 NA MeJP NA NA +MJ044140 8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Oxo-3(H)-furan-4-carbonyl) C20H20O6 356.125988 NA MeJP NA NA +MJ044141 Antibiotic SM 196A; 1-Ketone, 6a,12a-epoxide, 12-alcohol C20H20O6 356.125988 NA MeJP NA NA +MJ044142 Antibiotic X 14881B; 6a-Deoxy, 4?-hydroxy, 6a,12a-epoxide C20H20O6 356.125988 NA MeJP NA NA +MJ044143 Blepharolide A C20H20O6 356.125988 NA MeJP NA NA +MJ044144 Cardiophyllidin C20H20O6 356.125988 NA MeJP NA NA +MJ044145 Cladospirone G C20H20O6 356.125988 NA MeJP NA NA +MJ044146 Cluytene A C20H20O6 356.125988 NA MeJP NA NA +MJ044147 Cubebin C20H20O6 356.125988 NA MeJP NA NA +MJ044148 Deoxyherqueinone C20H20O6 356.125988 NA MeJP NA NA +MJ044149 Dihydrocarpanone C20H20O6 356.125988 NA MeJP NA NA +MJ044150 Erabulenol A C20H20O6 356.125988 NA MeJP NA NA +MJ044151 Excavatin D, 8-Methoxy C20H20O6 356.125988 NA MeJP NA NA +MJ044152 Fibleucin C20H20O6 356.125988 NA MeJP NA NA +MJ044153 Furoguaiaoxidin C20H20O6 356.125988 NA MeJP NA NA +MJ044154 Guaiagrazielolide; 8?-Angeloyloxy C20H20O6 356.125988 NA MeJP NA NA +MJ044155 Guaiagrazielolide; 8?-Tigloyloxy C20H20O6 356.125988 NA MeJP NA NA +MJ044156 Herpetol C20H20O6 356.125988 NA MeJP NA NA +MJ044157 Herqueichrysin C20H20O6 356.125988 NA MeJP NA NA +MJ044158 Horsfieldin C20H20O6 356.125988 NA MeJP NA NA +MJ044159 Jamesoniellide F C20H20O6 356.125988 NA MeJP NA NA +MJ044160 Kenusanone J C20H20O6 356.125988 NA MeJP NA NA +MJ044161 Kinobeon A C20H20O6 356.125988 NA MeJP NA NA +MJ044162 Laurifolin C20H20O6 356.125988 NA MeJP NA NA +MJ044163 Licoagrodione C20H20O6 356.125988 NA MeJP NA NA +MJ044164 Licofuranone C20H20O6 356.125988 NA MeJP NA NA +MJ044165 Melianoninol C20H20O6 356.125988 NA MeJP NA NA +MJ044166 Methylophiopogonone B; 2,3-Dihydro, 1''-oxo, 7-Me ether C20H20O6 356.125988 NA MeJP NA NA +MJ044167 Naphthgeranine D; 3,4-Dideoxy C20H20O6 356.125988 NA MeJP NA NA +MJ044168 Neophellamuretin C20H20O6 356.125988 NA MeJP NA NA +MJ044169 Phellamuretin C20H20O6 356.125988 NA MeJP NA NA +MJ044170 Piperitol C20H20O6 356.125988 NA MeJP NA NA +MJ044171 Plaunol A C20H20O6 356.125988 NA MeJP NA NA +MJ044172 Pygmaeocin A; 5,6-Didehydro C20H20O6 356.125988 NA MeJP NA NA +MJ044173 Salvifaricin; 1?,2?-Epoxide C20H20O6 356.125988 NA MeJP NA NA +MJ044174 Symphoxanthone; 1,6-Di-Me C20H20O6 356.125988 NA MeJP NA NA +MJ044175 Teuvincenone A; 15,16-Didehydro C20H20O6 356.125988 NA MeJP NA NA +MJ044176 Vismiaguianin B C20H20O6 356.125988 NA MeJP NA NA +MJ044177 Vittragraciliolide C20H20O6 356.125988 NA MeJP NA NA +MJ044178 Xylonic acid, 2,4:3,5-Di-O-benzylidene, Me ester C20H20O6 356.125988 NA MeJP NA NA +MJ044179 Zeyherol C20H20O6 356.125988 NA MeJP NA NA +MJ044180 ?-Conidendrin C20H20O6 356.125988 NA MeJP NA NA +MetaCyc03167 kievitone [] C20H20O6 356.125988 62682-11-5 metacyc NA NA +C01590 Kievitone C20H20O6 356.126 NA KEGG NA NA +C09166 Plaunol B C20H20O6 356.126 NA KEGG NA NA +C10549 Cubebin C20H20O6 356.126 NA KEGG NA NA +C18024 Leachianone G C20H20O6 356.126 NA KEGG NA NA +MJ044181 Dinazafone C20H21ClN2O2 356.129155 NA MeJP NA NA +MJ044182 2-O-?-D-Glucopyranosyl-D-galactose; ?-Pyranose-form, Me glycoside C13H24O11 356.131861 NA MeJP NA NA +MJ044183 3-O-?-D-Galactofuranosyl-D-mannose; ?-Pyranose-form, Me glycoside C13H24O11 356.131861 NA MeJP NA NA +MJ044184 3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside C13H24O11 356.131861 NA MeJP NA NA +MJ044185 3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside C13H24O11 356.131861 NA MeJP NA NA +MJ044186 4-O-?-D-Galactopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside C13H24O11 356.131861 NA MeJP NA NA +MJ044187 4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside C13H24O11 356.131861 NA MeJP NA NA +MJ044188 6-O-?-D-Galactofuranosyl-D-mannose; ?-Pyranose-form, Me glycoside C13H24O11 356.131861 NA MeJP NA NA +MJ044189 Galactinol; 4-Me C13H24O11 356.131861 NA MeJP NA NA +MJ044190 chiro-Inositol, 4-Me, 2-O-?-D-galactopyranoside C13H24O11 356.131861 NA MeJP NA NA +MJ044191 chiro-Inositol, 4-Me, 2-O-?-D-galactopyranoside C13H24O11 356.131861 NA MeJP NA NA +MJ044192 chiro-Inositol, 4-Me, 5-O-?-D-galactopyranoside C13H24O11 356.131861 NA MeJP NA NA +MJ044193 Prosultiamine C15H24N4O2S2 356.134067 NA MeJP NA NA +MJ044194 18-Bromo-5,17-octadecadien-7-ynoic acid, 5,6-Dihydro C18H29BrO2 356.135092 NA MeJP NA NA +MJ044195 Metitepine C20H24N2S2 356.13809 NA MeJP NA NA +MJ044196 Colletochlorin A C18H25ClO5 356.139051 NA MeJP NA NA +MJ044197 3,4-Dichloro-N-methyl-N-[2-methyl-1-(1-pyrrolidinylmethyl)propyl]benzeneacetamide C18H26Cl2N2O 356.142218 NA MeJP NA NA +PJ000492 SNH C13H20N6O6 356.1444 NA PeJP NA NA +PJ000493 GGSH C13H20N6O6 356.1445 NA PeJP NA NA +MJ044198 1,2,3,4,10-Pentahydroxy-11(13)-guaien-12,6-olide, 3-Ac C17H24O8 356.147117 NA MeJP NA NA +MJ044199 2,3-Epoxy-1,4,8,10-tetrahydroxy-12,6-guaianolide, 8-Ac C17H24O8 356.147117 NA MeJP NA NA +MJ044200 3-(4-Hydroxyphenyl)-2-pentenedioic acid C17H24O8 356.147117 NA MeJP NA NA +MJ044201 3-Hydroxy-5-phenylpentanoic acid, O-?-D-Glucopyranoside C17H24O8 356.147117 NA MeJP NA NA +MJ044202 4-(3,4-Dihydroxyphenyl)-2-butanone; 3-Me ether, O-?-D-glucopyranoside C17H24O8 356.147117 NA MeJP NA NA +MJ044203 5-(2-Propenyl)-1,2,3-benzenetriol; 1,3-Di-Me ether, 2-O-?-D-glucopyranoside C17H24O8 356.147117 NA MeJP NA NA +MJ044204 Feroxidin; 6-O-?-D-Glucopyranoside C17H24O8 356.147117 NA MeJP NA NA +MJ044205 Floridanolide; 14-Acetoxy, 4-oxo C17H24O8 356.147117 NA MeJP NA NA +MJ044206 Synargentolide D; 5-Deoxy, stereoisomer, 2'-Me ether C17H24O8 356.147117 NA MeJP NA NA +MJ044207 Hycanthone C20H24N2O2S 356.155848 NA MeJP NA NA +FL1DA9NP0001 2',4',4''-Trihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']dihydrochalcone C21H24O5 356.16237 125574-35-8 knapsack NA NA +FL1DA9NP0002 2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone C21H24O5 356.16237 125574-36-9 knapsack NA NA +FL1DBANI0001 alpha,beta-Dihydroxanthohumol;4,2',4'-Trihydroxy-6'-methoxy-3'-prenyldihydrochalcone C21H24O5 356.16237 102448-00-0 knapsack NA NA +FL1DE9NI0001 2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone C21H24O5 356.16237 77129-39-6 knapsack NA NA +FL2FA9NI0012 Tephrowatsin C C21H24O5 356.16237 97640-81-8 knapsack NA NA +FL63BANI0001 8-Prenylafzelechin 5-methyl ether C21H24O5 356.16237 108803-54-9 knapsack NA NA +FL64CANI0001 4,5,4'-Trihydroxy-7-methoxy-8-prenylflavan C21H24O5 356.16237 76265-11-7 knapsack NA NA +FLIC1LNI0002 alpha,alpha-dimethylallylcyclolobin C21H24O5 356.16237 58210-35-8 knapsack NA NA +MJ044208 1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol; 6-Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044209 1,6-Dihydro-1,3',4'-trimethoxy-6-oxo-4,7'-epoxy-3,8'-lignan C21H24O5 356.162373 NA MeJP NA NA +MJ044210 2',4',5,7-Tetrahydroxy-6-prenylisoflavan, 5-Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044211 2',4,4',6'-Tetrahydroxy-3'-prenylchalcone; ?,?-Dihydro, 6'-Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044212 2-(3,4-Dimethoxyphenyl)-3,3a-dihydro-5-methoxy-3-methyl-3a-(2-propenyl)-6(2H)-benzofuranone C21H24O5 356.162373 NA MeJP NA NA +MJ044213 2-(3,7-Dimethyl-2,6-octadienyl)-5,7-dihydroxy-3-methyl-1,4-naphthoquinone, 2,3-Epoxide C21H24O5 356.162373 NA MeJP NA NA +MJ044214 2-Geranyl-3,5,7-trihydroxy-6-methyl-1,4-naphthoquinone C21H24O5 356.162373 NA MeJP NA NA +MJ044215 2-Methylteretifolione B; 14,15-Dihydro, 15-hydroxy C21H24O5 356.162373 NA MeJP NA NA +MJ044216 3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 3',4,4'-Tri-Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044217 3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 3',4'-Methylene, 4,5-di-Me ether, 7?-alcohol C21H24O5 356.162373 NA MeJP NA NA +MJ044218 3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 4,4',5-Tri-Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044219 3,3',4,4',5-Pentahydroxylignan; 3,4:3',4-Bis(methylene), 5-Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044220 3,3',4,4',7-Pentahydroxylignan, 7-Ketone, 3',4'-methylene, 3,4-di-Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044221 3,3',4,4'-Tetrahydroxylignan, 7'-Oxo, 3,4-methylene, 3',4'-di-Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044222 3,4',5,7-Tetrahydroxy-8-prenylflavan, 5-Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044223 3,4,4'-Trihydroxy-7,9':7',9-diepoxylignan, Tri-Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044224 3,4,9,10-Tetrahydro-2-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-ol C21H24O5 356.162373 NA MeJP NA NA +MJ044225 3,5,7-Trihydroxy-2,2,6-trimethyl-8-(3-phenyl-1-oxopropyl)-3,4-dihydrobenzopyran C21H24O5 356.162373 NA MeJP NA NA +MJ044226 3,6-Dihydro-3,3',4,4',7-pentahydroxy-3,8'-bilign-8-en-6-one, 7'-Deoxy, 3',4'-methylene, 3,4-di-Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044227 3-(1,1-Dimethyl-2-propenyl)-4-hydroxy-6-phenyl-2H-pyran-2-one; O-(3-Hydroxy-3-methylbutanoyl) C21H24O5 356.162373 NA MeJP NA NA +MJ044228 3-Phenyl-1-[2,3,4,6-tetrahydroxy-5-(3-methyl-2-butenyl)phenyl]-1-propanone; 3'-Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044229 4,4',5,7-Tetrahydroxy-8-prenylflavan, 7-Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044230 4,6,12-Tetradecatriene-8,10-diyne-1,3,14-triol, 3-(3-Methyl-2-butenoyl), 1-Ac C21H24O5 356.162373 NA MeJP NA NA +MJ044231 4,6,12-Tetradecatriene-8,10-diyne-1,3,14-triol, 3-O-(3-Methyl-2-butenoyl), 1-Ac C21H24O5 356.162373 NA MeJP NA NA +MJ044232 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5-triol, 5'-Methoxy, 4',5-di-Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044233 4-Allyl-4,5-dimethoxy-2-[2-(3,4-methylenedioxyphenyl)-1-methylethyl]-2,5-cyclohexadien-1-one C21H24O5 356.162373 NA MeJP NA NA +MJ044234 4-Hydroxy-3-methoxy-3',4'-methylenedioxy-7,7'-epoxylignan, Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044235 5'-Deprenylhemihumulone C21H24O5 356.162373 NA MeJP NA NA +MJ044236 5-Hydroxy-8,8-dimethyl-6-(1-oxobutyl)-4-propyl-2H,8H-benzo[1,2-b:3,4-b']-dipyran-2-one C21H24O5 356.162373 NA MeJP NA NA +MJ044237 5-Hydroxy-8,8-dimethyl-6-(2-methyl-1-oxopropyl)-4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one C21H24O5 356.162373 NA MeJP NA NA +MJ044238 6'-Hydroxy-?-cycloauraptene; ?2',3'-Isomer, Ac C21H24O5 356.162373 NA MeJP NA NA +MJ044239 6'-Hydroxy-?-cycloauraptene; O-Ac C21H24O5 356.162373 NA MeJP NA NA +MJ044240 6-(3-Hydroxy-3-methyl-1-butenyl)-5-methoxy-2,2,8-trimethyl-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-one C21H24O5 356.162373 NA MeJP NA NA +MJ044241 6-Allyl-6-[2-(3,4-dihydroxyphenyl)-1-methylethyl]-3,4-dihydroxy-2,4-cyclohexadien-1-one; 4,5-Di-Me, 3',4'-methylene ether C21H24O5 356.162373 NA MeJP NA NA +MJ044242 7,8,8a,9,9a,10-Hexahydro-9-hydroxy-3,7,7,9a-tetramethyl-1H-cyclopenta[i]cyclopropa[f]pyrano[4,3-b][1]-benzopyran-10a(6H)-carboxaldehyde C21H24O5 356.162373 NA MeJP NA NA +MJ044243 7-Hydroxy-11,16-dioxo-8,14-apianadien-20,6-olide C21H24O5 356.162373 NA MeJP NA NA +MJ044244 Antibiotic A 74683A C21H24O5 356.162373 NA MeJP NA NA +MJ044245 Auraptene; 5'-Acetoxy C21H24O5 356.162373 NA MeJP NA NA +MJ044246 Avicennol, Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044247 Carinatol; 7-Ketone C21H24O5 356.162373 NA MeJP NA NA +MJ044248 Chalepin, Ac C21H24O5 356.162373 NA MeJP NA NA +MJ044249 Cordatolide A; 8-Epimer, Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044250 Cryptofolione; 6'-Ac C21H24O5 356.162373 NA MeJP NA NA +MJ044251 Deacetylshikonofuran A; 11-O-(3-Methyl-2-butenoyl) C21H24O5 356.162373 NA MeJP NA NA +MJ044252 Deflectin 1a C21H24O5 356.162373 NA MeJP NA NA +MJ044253 Demethylcacalohastine; 14-Propanoyloxy, O-propanoyl C21H24O5 356.162373 NA MeJP NA NA +MJ044254 Denudatin B C21H24O5 356.162373 NA MeJP NA NA +MJ044255 Dihydropleurotinic acid C21H24O5 356.162373 NA MeJP NA NA +MJ044256 Ethuliacoumarin A; 19-De-Me, 9-ethyl C21H24O5 356.162373 NA MeJP NA NA +MJ044257 Eupaglabrin C21H24O5 356.162373 NA MeJP NA NA +MJ044258 Eupodienone 8 C21H24O5 356.162373 NA MeJP NA NA +MJ044259 Eusiderin A; 8'-Epimer, 3'-demethoxy C21H24O5 356.162373 NA MeJP NA NA +MJ044260 Fragransol C C21H24O5 356.162373 NA MeJP NA NA +MJ044261 Gingerenone A C21H24O5 356.162373 NA MeJP NA NA +MJ044262 Hancinone B C21H24O5 356.162373 NA MeJP NA NA +MJ044263 Hookerinone C21H24O5 356.162373 NA MeJP NA NA +MJ044264 Lancifolin A; 3'-Epimer, O3-de-Me, 3,4-methylene ether C21H24O5 356.162373 NA MeJP NA NA +MJ044265 Lancifolin A; O3-De-Me, 3,4-methylene ether C21H24O5 356.162373 NA MeJP NA NA +MJ044266 Lanugone A; 19-Formyloxy C21H24O5 356.162373 NA MeJP NA NA +MJ044267 Leptosphaerodione; 1'?,2-Dihydro C21H24O5 356.162373 NA MeJP NA NA +MJ044268 Liliflodione; 4'-Me ether C21H24O5 356.162373 NA MeJP NA NA +MJ044269 Myricanol; Ketone C21H24O5 356.162373 NA MeJP NA NA +MJ044270 Panicein E; 15-Oxo, O-de-Me C21H24O5 356.162373 NA MeJP NA NA +MJ044271 Panicein G; 1'-Aldehyde, 4-hydroxy C21H24O5 356.162373 NA MeJP NA NA +MJ044272 Pleurotin; Hydroquinone C21H24O5 356.162373 NA MeJP NA NA +MJ044273 Praealtin A C21H24O5 356.162373 NA MeJP NA NA +MJ044274 Rhoiptelol A C21H24O5 356.162373 NA MeJP NA NA +MJ044275 Saulangianin I C21H24O5 356.162373 NA MeJP NA NA +MJ044276 Sorbifolin; O5-Me C21H24O5 356.162373 NA MeJP NA NA +MJ044277 Tephrowatsin C C21H24O5 356.162373 NA MeJP NA NA +MJ044278 Unanisoflavan, 2'-O-De-Me C21H24O5 356.162373 NA MeJP NA NA +MJ044279 Unanisoflavan, 4'-O-De-Me C21H24O5 356.162373 NA MeJP NA NA +MJ044280 Virolin; 7-Ketone C21H24O5 356.162373 NA MeJP NA NA +MJ044281 Vismione C; 7-Me ether, O-de-Ac C21H24O5 356.162373 NA MeJP NA NA +MetaCyc03168 α,β-dihydroxanthohumol [] C21H24O5 356.162374 NA metacyc NA NA +C09308 Rutamarin C21H24O5 356.1624 NA KEGG NA NA +C10460 Gingerenone A C21H24O5 356.1624 NA KEGG NA NA +C10554 Denudatin B C21H24O5 356.1624 NA KEGG NA NA +C10638 Kadsurenone C21H24O5 356.1624 NA KEGG NA NA +MJ044282 Alangiobussine C22H20N4O 356.163711 NA MeJP NA NA +MJ044283 Dipegine C22H20N4O 356.163711 NA MeJP NA NA +MJ044284 Affinisine; N4-(Chloromethyl) C21H26ClN2O(+) 356.165541 NA MeJP NA NA +MJ044285 Karabemycin C15H24N4O6 356.169584 NA MeJP NA NA +PJ000494 GSPP C15H24N4O6 356.1696 NA PeJP NA NA +C12574 Pheniramine maleate C16H20N2 356.1736 NA KEGG NA NA +C12575 Transferred to D01175 C16H20N2 356.1736 NA KEGG NA NA +C12576 Transferred to D01176 C16H20N2 356.1736 NA KEGG NA NA +C12577 Transferred to D01177 C16H20N2 356.1736 NA KEGG NA NA +C12578 Transferred to D01178 C16H20N2 356.1736 NA KEGG NA NA +C12579 Transferred to D01179 C16H20N2 356.1736 NA KEGG NA NA +C12580 Transferred to D01180 C16H20N2 356.1736 NA KEGG NA NA +C12581 Transferred to D01181 C16H20N2 356.1736 NA KEGG NA NA +C12582 Transferred to D01182 C16H20N2 356.1736 NA KEGG NA NA +C12583 Transferred to D01183 C16H20N2 356.1736 NA KEGG NA NA +C12584 Transferred to D01184 C16H20N2 356.1736 NA KEGG NA NA +C12585 Transferred to D01185 C16H20N2 356.1736 NA KEGG NA NA +C12586 Transferred to D01186 C16H20N2 356.1736 NA KEGG NA NA +C12587 Transferred to D01187 C16H20N2 356.1736 NA KEGG NA NA +C12588 Transferred to D01188 C16H20N2 356.1736 NA KEGG NA NA +C12589 Transferred to D01189 C16H20N2 356.1736 NA KEGG NA NA +MJ044286 2,7-Dihydroxypleiocarpamine C20H24N2O4 356.173607 NA MeJP NA NA +MJ044287 Alkaloid LA 5 C20H24N2O4 356.173607 NA MeJP NA NA +MJ044288 Compactinervine C20H24N2O4 356.173607 NA MeJP NA NA +MJ044289 Diazaquinomycin B C20H24N2O4 356.173607 NA MeJP NA NA +MJ044290 Echitamidine, 12-Hydroxy, 19,20-diepimer C20H24N2O4 356.173607 NA MeJP NA NA +MJ044291 Echitamidine, 12-Hydroxy, 20-epimer C20H24N2O4 356.173607 NA MeJP NA NA +MJ044292 Echitamidine, 19,20-Diepimer, Nb-oxide C20H24N2O4 356.173607 NA MeJP NA NA +MJ044293 Echitamidine, Nb-Oxide C20H24N2O4 356.173607 NA MeJP NA NA +MJ044294 Gelsedine; 11-Methoxy, 4,20-didehydro C20H24N2O4 356.173607 NA MeJP NA NA +MJ044295 Humantenirine; O11-De-Me C20H24N2O4 356.173607 NA MeJP NA NA +MJ044296 Vallesamine, Nb-Oxide C20H24N2O4 356.173607 NA MeJP NA NA +MJ044297 1,4,6,8-Tetrahydroxy-11(13)-eudesmen-12-oic acid, 8-Ac, Me ester C18H28O7 356.183503 NA MeJP NA NA +MJ044298 2-Pinen-10-ol, O-(6-O-Acetyl-?-D-glucopyranoside) C18H28O7 356.183503 NA MeJP NA NA +MJ044299 2-Pinen-4-ol, O-(6-O-Acetyl-?-D-glucopyranoside) C18H28O7 356.183503 NA MeJP NA NA +MJ044300 2-Pinen-6-ol, O-(2-Acetyl-?-D-glucopyranoside) C18H28O7 356.183503 NA MeJP NA NA +MJ044301 2-Pinen-6-ol, O-(6-Acetyl-?-D-glucopyranoside) C18H28O7 356.183503 NA MeJP NA NA +MJ044302 6-[3-(3,6-Dihydro-6-propyl-1,2-dioxin-3-yl)propyl]-3,6-dihydro-6-methoxy-1,2-dioxin-3-acetic acid; Me ester C18H28O7 356.183503 NA MeJP NA NA +MJ044303 Antibiotic SEN 366D1 C18H28O7 356.183503 NA MeJP NA NA +C14960 1alpha,5alpha-Dimercaptoandrostane-3alpha,17beta-diol C19H32O2S2 356.1844 NA KEGG NA NA +MJ044304 Pibutidine C19H24N4O3 356.18484 NA MeJP NA NA +MJ044305 Lirioferine, N-Me C21H26NO4 356.186183 NA MeJP NA NA +MJ044306 Fluanisone C21H25FN2O2 356.190006 NA MeJP NA NA +MJ044307 N-Methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzo[b]thiophene-4-acetamide C21H28N2OS 356.192234 NA MeJP NA NA +3542 ACE inhibitor LQP 356.194 ACE inhibitor Inhouse_peptide NA peptide +7822 ACE inhibitor from micro algae IAPG 356.194 antithrombotic Inhouse_peptide NA peptide +8184 ACE Inhibitor IQP 356.194 NA ;SYN:1 methylhistidine; 1-methyl histidine; 1-MHis; 1-Methyl-Histidine; 1-Methyl-L-histidine; 1-N-Methyl-L-histidine; L-1-Methylhistidine; N1-Methyl-L-histidine; pi-methylhistidineH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +FL6FA9NI0002 Nitenin C22H28O4 356.19875 92590-02-8 knapsack NA NA +MJ044308 1-Hydroxy-2,6-humuladien-15-al; 15-Carboxylic acid, benzoyl C22H28O4 356.198759 NA MeJP NA NA +MJ044309 Corallidictyal A C22H28O4 356.198759 NA MeJP NA NA +MJ044310 Crocetin, Di-Me ester C22H28O4 356.198759 NA MeJP NA NA +MJ044311 Cyclospongiaquinone 1; 9,11-Didehydro C22H28O4 356.198759 NA MeJP NA NA +MJ044312 Galbulin C22H28O4 356.198759 NA MeJP NA NA +MJ044313 Malabaricone A; 4'-Hydroxy, 2-Me ether C22H28O4 356.198759 NA MeJP NA NA +MJ044314 Metachromin E C22H28O4 356.198759 NA MeJP NA NA +MJ044315 Nitenin C22H28O4 356.198759 NA MeJP NA NA +MJ044316 Panicein E C22H28O4 356.198759 NA MeJP NA NA +MJ044317 Panicein G; 3-Me ether C22H28O4 356.198759 NA MeJP NA NA +MJ044318 Piperochromanoic acid C22H28O4 356.198759 NA MeJP NA NA +MJ044319 Renierin B C22H28O4 356.198759 NA MeJP NA NA +MJ044320 Tridachiapyrone E C22H28O4 356.198759 NA MeJP NA NA +MJ044321 Tridachiapyrone I C22H28O4 356.198759 NA MeJP NA NA +MJ044322 Turriculoic acid D; 14'-Aldehyde C22H28O4 356.198759 NA MeJP NA NA +MJ044323 Verecynarmin A C22H28O4 356.198759 NA MeJP NA NA +C15267 (17Z)-3,11-Dioxopregna-4,17(20)-dien-21-oic acid methyl ester C22H28O4 356.1988 NA KEGG NA NA +MJ044324 Tampramine C23H24N4 356.200096 NA MeJP NA NA +CJneg0553 Octanoylcarnitine [(M-H)+(HCOONa)]- (13C) C1513CH29NNaO6 356.201025 C18rt(min)=7.86 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0554 Octanoylcarnitine isomer [(M-H)+(HCOONa)]- (13C) C1513CH29NNaO6 356.201025 C18rt(min)=7.5 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0553 Octanoylcarnitine [(M-H)+(HCOONa)]- (13C) C1513CH29NNaO6 356.201025 C18rt(min)=7.86 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0554 Octanoylcarnitine isomer [(M-H)+(HCOONa)]- (13C) C1513CH29NNaO6 356.201025 C18rt(min)=7.5 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ044325 Niaprazine C20H25FN4O 356.201239 NA MeJP NA NA +PJ000495 PLQ C16H28N4O5 356.206 NA PeJP NA NA +MJ044326 16,17-Dihydrosecodin-17-ol C21H28N2O3 356.209992 NA MeJP NA NA +MJ044327 3-Hydroxy-3,4-secocoronaridine C21H28N2O3 356.209992 NA MeJP NA NA +MJ044328 5-[7-[4-(4,5-Dihydro-4-methyl-2-oxazolyl)phenoxy]heptyl]-3-methylisoxazole C21H28N2O3 356.209992 NA MeJP NA NA +MJ044329 Anomaline; Demethoxy C21H28N2O3 356.209992 NA MeJP NA NA +MJ044330 Aspidocarpine; O-De-Me C21H28N2O3 356.209992 NA MeJP NA NA +MJ044331 Cylindrocarine C21H28N2O3 356.209992 NA MeJP NA NA +MJ044332 Cylindrocarpinolyl C21H28N2O3 356.209992 NA MeJP NA NA +MJ044333 Dregamine; 3R-Alcohol C21H28N2O3 356.209992 NA MeJP NA NA +MJ044334 Kisantine C21H28N2O3 356.209992 NA MeJP NA NA +MJ044335 Limapodine C21H28N2O3 356.209992 NA MeJP NA NA +MJ044336 Raumacline; 19S-Hydroxy, Nb-Me C21H28N2O3 356.209992 NA MeJP NA NA +MJ044337 Rhyncophylline, 7-Epimer, demethoxy, 16,17-dihydro C21H28N2O3 356.209992 NA MeJP NA NA +MJ044338 Sitsirikine; 16-Epimer, dihydro C21H28N2O3 356.209992 NA MeJP NA NA +MJ044339 Sitsirikine; Dihydro C21H28N2O3 356.209992 NA MeJP NA NA +MJ044340 Spegazzinine C21H28N2O3 356.209992 NA MeJP NA NA +C06497 WIN I(S) C21H28N2O3 356.21 NA KEGG NA NA +MJ044341 15-Chloro-8,13-epoxy-14-hydroxy-3-labdanone C20H33ClO3 356.211822 NA MeJP NA NA +MJ044342 15-Chloro-8-labdene-3,13,14-triol, 3-Ketone C20H33ClO3 356.211822 NA MeJP NA NA +MJ044343 5,7-Megastigmadien-9-ol, O-?-D-Glucopyranoside C19H32O6 356.219888 NA MeJP NA NA +MJ044344 Deacetyldihydrobotrydial; 15?-Methoxy, 10-Me ether, 4-Ac C19H32O6 356.219888 NA MeJP NA NA +MJ044345 Octalactin B; 10?,11?-Epoxide C19H32O6 356.219888 NA MeJP NA NA +MJ044346 8-(Hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-1,3-dipropyl-1H-purine-2,6-dione C20H28N4O2 356.221226 NA MeJP NA NA +MJ044347 7,20-Diisocyanoisocycloamphilectane; 7-Isothiocyanate C22H32N2S 356.228619 NA MeJP NA NA +MJ044348 7-Isocyano-15-isothiocyanato-11(20)-amphilectene C22H32N2S 356.228619 NA MeJP NA NA +3349 ACE inhibitor IKP 356.23 celiac toxic Inhouse_peptide NA peptide +7549 ACE inhibitor LKP 356.23 antioxidative Inhouse_peptide NA peptide +8216 Antioxidative peptide LKP 356.23 Tripeptides ;SYN:5-L-Glutamyl-L-cysteinylglycine; Agifutol S; Bakezyme RX; Copren; Deltathione; GSH; Glutathion; Glutathione; Glutathione red; Glutathione reduced; Glutathione-SH; Glutatiol; Glutatione; Glutide; Glutinal; L-g-glutamyl-L-cysteinyl-glycine; L-gamma-glutamyl-L-cysteinyl-glycine; Isethion; L-Glutathione; L-Glutathione reduce; L-gamma-glutamyl-L-cysteinylglycine; L-glutamyl-L-cysteinylglycine; Ledac; Neuthion; Reduced glutathione; Tathion; Tathione; Triptide; gamma-Glutamylcysteinylglycine; gamma-L-Glutamyl-L-cysteinylglycine; gamma-L-glutamyl-L-cysteinyl-glycine; red, glutathioneH2Blood; Cellular Cytoplasm; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +38 Aldolase LKP 356.231 celiac toxic Inhouse_peptide NA peptide +C01397 AACOCF3 C21H31F3O 356.2327 NA KEGG NA NA +C01398 Acyloin C2H2O2R2 356.2327 NA KEGG NA NA +C01399 Agarose C2H2O2R2 356.2327 NA KEGG NA NA +MJ044349 1,1,1-Trifluoro-6,9,12,15-heneicosatetraen-2-one C21H31F3O 356.2327 NA MeJP NA NA +MJ044350 Chrysophysarin A C21H30N3O2 356.233802 NA MeJP NA NA +C12859 Estradiol valerate C23H32O3 356.2351 NA KEGG NA NA +C12860 Transferred to D01414 C23H32O3 356.2351 NA KEGG NA NA +C14503 16-Dehydropregnenolone acetate C23H32O3 356.2351 NA KEGG NA NA +MJ044351 1-(2,4-Dihydroxyphenyl)-3,7,11-trimethyl-3-vinyl-6,10-dodecadien-1-one; 6E-form C23H32O3 356.235144 NA MeJP NA NA +MJ044352 11-Hydroxypregna-4,20-dien-3-one; 11?-form, Ac C23H32O3 356.235144 NA MeJP NA NA +MJ044353 13-(Hydroxymethyl)-1-(2-hydroxyphenyl)-5,9-dimethyl-4,8,12-tetradecatrien-1-one C23H32O3 356.235144 NA MeJP NA NA +MJ044354 16-Hydroxypregna-4,17(20)-dien-3-one, Ac C23H32O3 356.235144 NA MeJP NA NA +MJ044355 3-Hydroxycarda-14,20(22)-dienolide C23H32O3 356.235144 NA MeJP NA NA +MJ044356 4-Hydroxy-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzoic acid; 4-Me ether C23H32O3 356.235144 NA MeJP NA NA +MJ044357 5-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-2-oxabicyclo[3.3.1]non-7-ene-3,6-dione C23H32O3 356.235144 NA MeJP NA NA +MJ044358 6-(1,3,5,7,9,11,15-Heptadecaheptaenyl)-4-methoxy-2H-pyran-2-one, 13',14'-Didehydro, 1',2',3',4',9',10',15',16'-octahydro C23H32O3 356.235144 NA MeJP NA NA +MJ044359 6-(1,3,5,7,9,11,15-Heptadecaheptaenyl)-4-methoxy-2H-pyran-2-one, 13',14'-Didehydro, 1',2',7',8',9',10',15',16'-octahydro C23H32O3 356.235144 NA MeJP NA NA +MJ044360 Antibiotic LL-Z 1272? C23H32O3 356.235144 NA MeJP NA NA +MJ044361 Avarol; 5'-Ac C23H32O3 356.235144 NA MeJP NA NA +MJ044362 Dactylosponol C23H32O3 356.235144 NA MeJP NA NA +MJ044363 Dictyoceratin C C23H32O3 356.235144 NA MeJP NA NA +MJ044364 Dshamirone C23H32O3 356.235144 NA MeJP NA NA +MJ044365 Estra-1,3,5(10)-triene-3,16,17-triol, 3-Cyclopentyl ether C23H32O3 356.235144 NA MeJP NA NA +MJ044366 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-(2,2-Dimethylpropanoyl) C23H32O3 356.235144 NA MeJP NA NA +MJ044367 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-Pentanoyl C23H32O3 356.235144 NA MeJP NA NA +MJ044368 Hyrtiophenol C23H32O3 356.235144 NA MeJP NA NA +MJ044369 Pregna-1,20-diene-3,16-diol, 3-Ketone, 16-Ac C23H32O3 356.235144 NA MeJP NA NA +PJ000496 PLK C17H32N4O4 356.2424 NA PeJP NA NA +MJ044370 Dopexamine C22H32N2O2 356.246378 NA MeJP NA NA +MJ044371 Kalihinene; 6?-Hydroxy C22H32N2O2 356.246378 NA MeJP NA NA +MJ044372 Kalihinol C C22H32N2O2 356.246378 NA MeJP NA NA +MJ044373 Kalihinol K C22H32N2O2 356.246378 NA MeJP NA NA +MJ044374 N-Methyl-N-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]benzeneacetamide C22H32N2O2 356.246378 NA MeJP NA NA +HMDB02689 13,14-dihydro PGE1 C20H36O5 356.25626 http://www.hmdb.ca/metabolites/HMDB02689 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02685 Prostaglandin F1alpha C20H36O5 356.25626 http://www.hmdb.ca/metabolites/HMDB02685 HMDB NA NA +HMDB02689 13,14-dihydro PGE1 C20H36O5 356.25626 http://www.hmdb.ca/metabolites/HMDB02689 HMDB NA NA +HMDB04239 13,14-dihydro PGF2a C20H36O5 356.25626 http://www.hmdb.ca/metabolites/HMDB04239 HMDB NA NA +HMDB02689 13,14-dihydro PGE1 C20H36O5 356.25626 http://www.hmdb.ca/metabolites/HMDB02689 PFEM_hmdb_metabocards_blood NA blood +HMDB02685 Prostaglandin F1alpha C20H36O5 356.25626 HMDB02685 PFEM_hmdb_metabocards_official NA NA +HMDB02689 13,14-dihydro PGE1 C20H36O5 356.25626 HMDB02689 PFEM_hmdb_metabocards_official NA NA +HMDB04239 13,14-dihydro PGF2a C20H36O5 356.25626 HMDB04239 PFEM_hmdb_metabocards_official NA NA +MJ044375 13-Clerodene-2,3,4,15,16-pentol C20H36O5 356.256274 NA MeJP NA NA +MJ044376 13-Clerodene-6,15,16,18,19-pentol C20H36O5 356.256274 NA MeJP NA NA +MJ044377 2,3,14,15,16-Pimaranepentol C20H36O5 356.256274 NA MeJP NA NA +MJ044378 2,3,4-Trihydroxy-15-clerodanoic acid C20H36O5 356.256274 NA MeJP NA NA +MJ044379 4,15,16-Trihydroxy-4,5-seco-5-rosanone, 18-Hydroxy C20H36O5 356.256274 NA MeJP NA NA +MJ044380 8,13-Epoxy-14,15,16,19-labdanetetrol C20H36O5 356.256274 NA MeJP NA NA +MJ044381 9,11,15-Trihydroxyprost-13-enoic acid C20H36O5 356.256274 NA MeJP NA NA +MJ044382 9,13-Epoxy-3,15,16,18-labdanetetrol C20H36O5 356.256274 NA MeJP NA NA +MJ044383 Blepharizone C20H36O5 356.256274 NA MeJP NA NA +MJ044384 Ligantrol C20H36O5 356.256274 NA MeJP NA NA +EUR178 ProstaglandinF1a(PGF1a) C20H36O5 356.256275 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR178 ProstaglandinF1a(PGF1a) C20H36O5 356.256275 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR178 ProstaglandinF1a(PGF1a) C20H36O5 356.256275 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR178 ProstaglandinF1a(PGF1a) C20H36O5 356.256275 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR178 ProstaglandinF1a(PGF1a) C20H36O5 356.256275 Wishlist HMDB NA NA +EUR178 ProstaglandinF1a(PGF1a) C20H36O5 356.256275 Wishlist Inhouse_PFEM NA NA +EUR178 ProstaglandinF1a(PGF1a) C20H36O5 356.256275 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR178 ProstaglandinF1a(PGF1a) C20H36O5 356.256275 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB02685 Prostaglandin F1a C20H36O5 356.256287 NA HMDB2010 NA NA +HMDB02689 13,14-Dihydro PGE1 C20H36O5 356.256287 NA HMDB2010 NA NA +HMDB04239 13,14-Dihydro PGF2a C20H36O5 356.256287 NA HMDB2010 NA NA +EUR178 ProstaglandinF1a(PGF1a) C20H36O5 356.2563 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR178 ProstaglandinF1a(PGF1a) C20H36O5 356.2563 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR178 ProstaglandinF1a(PGF1a) C20H36O5 356.2563 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR178 ProstaglandinF1a(PGF1a) C20H36O5 356.2563 Wishlist Inhousejuil11 NA NA +C06475 Prostaglandin F1alpha C20H36O5 356.2563 NA KEGG NA NA +MJ044385 Glutamine, N2-Tetradecanoyl C19H36N2O4 356.267507 NA MeJP NA NA +C16185 (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester C24H36O2 356.2715 NA KEGG NA NA +HMDB02007 Tetracosahexaenoic acid C24H36O2 356.27151 http://www.hmdb.ca/metabolites/HMDB02007 HMDB NA NA +HMDB02007 Tetracosahexaenoic acid C24H36O2 356.27151 HMDB02007 PFEM_hmdb_metabocards_official NA NA +HMDB02007 Tetracosahexaenoic acid C24H36O2 356.271515 NA HMDB2010 NA NA +MJ044386 5-Heptadecyl-1,3-benzenediol; 8',9',11',12',14',15'-Hexadehydro(all-Z), mono-Me ether C24H36O2 356.27153 NA MeJP NA NA +MJ044387 6,9,12,15,18,21-Tetracosahexaenoic acid C24H36O2 356.27153 NA MeJP NA NA +MJ044388 3-Amino-23-norcon-5-enin-18-one, N3,N3-Di-Me C23H36N2O 356.282763 NA MeJP NA NA +MJ044389 3-(2-Heptenyloxy)-1,2-propanediol, 3-Undecanoyl C21H40O4 356.292659 NA MeJP NA NA +MJ044390 3-Hydroxy-16-methylheptadecanoic acid; Ac, Me ester C21H40O4 356.292659 NA MeJP NA NA +MJ044391 5-Alkyl-3,5-dimethyl-1,2-dioxolane-3-acetic acids; 3,5-Dimethyl-5-tetradecyl-1,2-dioxolane-3-acetic acid C21H40O4 356.292659 NA MeJP NA NA +MJ044392 Amphiasterin B1; 11',12'-Dihydro C21H40O4 356.292659 NA MeJP NA NA +MJ044393 Secoplakortide H; 11,12-Dihydro C21H40O4 356.292659 NA MeJP NA NA +HMDB11536 MG(0:0/18:1(11Z)/0:0) C21H40O4 356.292664 NA HMDB2010 NA NA +HMDB11537 MG(0:0/18:1(9Z)/0:0) C21H40O4 356.292664 NA HMDB2010 NA NA +HMDB11566 MG(18:1(11Z)/0:0/0:0) C21H40O4 356.292664 NA HMDB2010 NA NA +HMDB11567 MG(18:1(9Z)/0:0/0:0) C21H40O4 356.292664 NA HMDB2010 NA NA +MJ044394 2,7,18-Ophiobolatrien-24-ol C25H40O 356.307915 NA MeJP NA NA +MJ044395 3(20),7,18-Ophiobolatrien-24-ol C25H40O 356.307915 NA MeJP NA NA +MJ044396 Astellatol C25H40O 356.307915 NA MeJP NA NA +MJ044397 Cericerene; 24-Hydroxy C25H40O 356.307915 NA MeJP NA NA +MJ044398 Ceriferol 1 C25H40O 356.307915 NA MeJP NA NA +MJ044399 Flocerol C25H40O 356.307915 NA MeJP NA NA +MJ044400 Nitiol C25H40O 356.307915 NA MeJP NA NA +MJ044401 ?-Cericerol I C25H40O 356.307915 NA MeJP NA NA +C06545 Conessine C24H40N2 356.3191 NA KEGG NA NA +MJ044402 Conessine C24H40N2 356.319149 NA MeJP NA NA +MJ044403 Pregna-5,16-diene-3,20-diamine, N3,N20,N20-Tri-Me C24H40N2 356.319149 NA MeJP NA NA +C03049 13-Hydroxydocosanoic acid C22H44O3 356.329 NA KEGG NA NA +MJ044404 13-Hydroxydocosanoic acid C22H44O3 356.329045 NA MeJP NA NA +MJ044405 13-Hydroxyheneicosanoic acid; Me ether C22H44O3 356.329045 NA MeJP NA NA +MJ044406 2-Hydroxydocosanoic acid C22H44O3 356.329045 NA MeJP NA NA +MJ044407 22-Hydroxydocosanoic acid C22H44O3 356.329045 NA MeJP NA NA +MetaCyc03169 13-hydroxydocosanoate [] C22H44O3 356.329045 NA metacyc NA NA +MJ044408 6,8-Tricosanediol C23H48O2 356.36543 NA MeJP NA NA +7825 ACE inhibitor PSGQYY 356.6445 MH2+ Inhouse_peptide NA peptide +8 Myosin MNPPKQ 356.671 MH2+ Inhouse_peptide NA peptide +MJ044409 Pyrrolomycin D C11H4Cl5NO2 356.868466 NA MeJP NA NA +MJ044410 Psammaplin B C12H12BrN3O3S 356.978274 NA MeJP NA NA +MJ044411 Pluracidomycin A1 C9H11NO10S2 356.982436 NA MeJP NA NA +MJ044412 Hydroxy(4-hydroxy-3-nitrophenyl)mercury C6H5HgNO4 356.992483 NA MeJP NA NA +MJ044413 Florfenicol C12H14Cl2FNO4S 357.000462 NA MeJP NA NA +MJ044414 Midaflur C7H3F12N3 357.013535 NA MeJP NA NA +MJ044415 Gerrardine; 1',1''-S-Dioxide C11H19NO4S4 357.01969 NA MeJP NA NA +MJ044416 1,2-Ethanediamine[propanedioato(2-)-O,O']platinum(II) C5H10N2O4Pt 357.028831 NA MeJP NA NA +C05071 Chlorsulfuron C12H12ClN5O4S 357.0299 NA KEGG NA NA +MJ044417 Droxicam C16H11N3O5S 357.041941 NA MeJP NA NA +MJ044418 2-Hydroxy-8-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid C17H11NO8 357.048466 NA MeJP NA NA +MJ044419 6-Hydroxy-7-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid C17H11NO8 357.048466 NA MeJP NA NA +MJ044420 6-Hydroxy-8-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid C17H11NO8 357.048466 NA MeJP NA NA +MJ044421 7-Hydroxy-8-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid C17H11NO8 357.048466 NA MeJP NA NA +MJ044422 8-Hydroxy-7-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid C17H11NO8 357.048466 NA MeJP NA NA +C01621 Tolrestat C16H14F3NO3S 357.0646 NA KEGG NA NA +MJ044423 Tolrestat C16H14F3NO3S 357.064648 NA MeJP NA NA +MJ044424 Cinolazepam C18H13ClFN3O2 357.068032 NA MeJP NA NA +MJ044425 Oximonam C12H15N5O6S 357.074303 NA MeJP NA NA +MJ044426 Antibiotic BE 13793C C20H11N3O4 357.074955 NA MeJP NA NA +MJ044427 Arcyriaflavin A; 2,10-Dihydroxy C20H11N3O4 357.074955 NA MeJP NA NA +MJ044428 Arcyriaflavin A; 2,9-Dihydroxy C20H11N3O4 357.074955 NA MeJP NA NA +MJ044429 Arcyroxocin A; 2-Hydroxy C20H11N3O4 357.074955 NA MeJP NA NA +MJ044430 Arcyroxocin A; N6-Hydroxy C20H11N3O4 357.074955 NA MeJP NA NA +MJ044431 Clometacin C19H16ClNO4 357.076785 NA MeJP NA NA +MJ044432 Indometacin C19H16ClNO4 357.076785 NA MeJP NA NA +MJ044433 Rilopirox C19H16ClNO4 357.076785 NA MeJP NA NA +C01926 Indomethacin C19H16ClNO4 357.0768 NA KEGG NA NA +MJ044434 3,4,6-Trihydroxy-10-nitro-1-phenanthrenecarboxylic acid; 3,4-Di-Me ether, Me ester C18H15NO7 357.084851 NA MeJP NA NA +MJ044435 3,4,8-Trihydroxy-10-nitro-1-phenanthrenecarboxylic acid; 4,8-Di-Me ether, Me ester C18H15NO7 357.084851 NA MeJP NA NA +MJ044436 Balsalazide C17H15N3O6 357.096085 NA MeJP NA NA +MJ044437 Deacetoxycephalosporin C C14H19N3O6S 357.099456 NA MeJP NA NA +C06565 Deacetoxycephalosporin C C14H19N3O6S 357.0995 NA KEGG NA NA +MJ044438 Bendamustine C16H21Cl2N3O2 357.101082 NA MeJP NA NA +MJ044439 2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one, 7-Me ether, 2-O-?-D-glucopyranoside C15H19NO9 357.105981 NA MeJP NA NA +MJ044440 Cyclodopa, 5-?-D-Glucoside C15H19NO9 357.105981 NA MeJP NA NA +MetaCyc03170 4-O-methyl-DIBOA-Glc [4-O-met-DIBOA-Glc;] C15H19N1O9 357.105981 NA metacyc NA NA +C17751 cyclo-Dopa 5-O-glucoside C15H19NO9 357.106 NA KEGG NA NA +MJ044441 Etibendazol C18H16FN3O4 357.112484 NA MeJP NA NA +MJ044442 Rumbrin C20H20ClNO3 357.113171 NA MeJP NA NA +MJ044443 Rosiglitazone C18H19N3O3S 357.114712 NA MeJP NA NA +HMDB05031 Rosiglitazone C18H19N3O3S 357.114716 NA HMDB2010 NA NA +HMDB05031 Rosiglitazone C18H19N3O3S 357.11472 http://www.hmdb.ca/metabolites/HMDB05031 HMDB NA NA +HMDB05031 Rosiglitazone C18H19N3O3S 357.11472 HMDB05031 PFEM_hmdb_metabocards_official NA NA +MJ044444 Etersalate C19H19NO6 357.121237 NA MeJP NA NA +MJ044445 Gravacridonetriol C19H19NO6 357.121237 NA MeJP NA NA +MJ044446 Spixianine; N-Oxide C19H19NO6 357.121237 NA MeJP NA NA +MJ044447 Stepharotine, O2,O9-Di-O-de-Me, 8-oxo C19H19NO6 357.121237 NA MeJP NA NA +PARAC002 3 methoxy Paracetamol glucuronide C18H19N3O3S 357.1228 RT5.5 PFEM_hmdb_metabocards_urine NA urine +PARAC002 3 methoxy Paracetamol glucuronide C18H19N3O3S 357.1228 RT5.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC002 3 methoxy Paracetamol glucuronide C18H19N3O3S 357.1228 RT5.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC002 3 methoxy Paracetamol glucuronide C18H19N3O3S 357.1228 RT5.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC002 3 methoxy Paracetamol glucuronide C18H19N3O3S 357.1228 RT5.5 HMDB NA NA +PARAC002 3 methoxy Paracetamol glucuronide C18H19N3O3S 357.1228 RT5.5 Inhouse_PFEM NA NA +PARAC002 3 methoxy Paracetamol glucuronide C18H19N3O3S 357.1228 RT5.5 PFEM_hmdb_metabocards_blood NA blood +PARAC002 3 methoxy Paracetamol glucuronide C18H19N3O3S 357.1228 RT5.5 PFEM_hmdb_metabocards_official NA NA +PJ000497 SDH C13H19N5O7 357.1285 NA PeJP NA NA +CJneg0555 Dimethylguanosine [(M-H)+(HCOOH)]- C13H18N5O7 357.129025 C18rt(min)=4.71 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0555 Dimethylguanosine [(M-H)+(HCOOH)]- C13H18N5O7 357.129025 C18rt(min)=4.71 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ044448 Caraberstat C20H20FNO4 357.137636 NA MeJP NA NA +C14917 9-Thiocyanato-androst-4-ene-3,11,17-trione C20H23NO3S 357.1399 NA KEGG NA NA +MJ044449 Bakankoside C16H23NO8 357.142366 NA MeJP NA NA +MJ044450 Dopamine; N-Ac, 3-O-?-glucopyranoside C16H23NO8 357.142366 NA MeJP NA NA +MJ044451 Dopamine; N-Ac, 4-O-?-D-glucopyranoside C16H23NO8 357.142366 NA MeJP NA NA +C09914 Bakankoside C16H23NO8 357.1424 NA KEGG NA NA +MJ044452 Adenosine; 6N-Benzyl C17H19N5O4 357.143704 NA MeJP NA NA +PJ000498 AMH C14H23N5O4S 357.1471 NA PeJP NA NA +MJ044453 Cystodytins; Cystodytin A C22H19N3O2 357.147726 NA MeJP NA NA +MJ044454 Cystodytins; Cystodytin B C22H19N3O2 357.147726 NA MeJP NA NA +MJ044455 Danofloxacin C19H20FN3O3 357.148869 NA MeJP NA NA +MJ044456 Quillifoline C21H24ClNO2 357.149556 NA MeJP NA NA +C16712 Deacetylcolchicine C20H23NO5 357.1576 NA KEGG NA NA +MJ044457 3-Demethoxy-2,3-methylenedioxyerythroculine C20H23NO5 357.157622 NA MeJP NA NA +MJ044458 Androbine, N-De-Me C20H23NO5 357.157622 NA MeJP NA NA +MJ044459 Capaurimine C20H23NO5 357.157622 NA MeJP NA NA +MJ044460 Caseadine, ?-N-Oxide C20H23NO5 357.157622 NA MeJP NA NA +MJ044461 Cataline; O2-De-Me C20H23NO5 357.157622 NA MeJP NA NA +MJ044462 Cephasamine C20H23NO5 357.157622 NA MeJP NA NA +MJ044463 Ciproquinate C20H23NO5 357.157622 NA MeJP NA NA +MJ044464 Corydalmine, ?-N-Oxide C20H23NO5 357.157622 NA MeJP NA NA +MJ044465 Corydalmine, ?-N-Oxide C20H23NO5 357.157622 NA MeJP NA NA +MJ044466 Corydine, 4R-Hydroxy C20H23NO5 357.157622 NA MeJP NA NA +MJ044467 Corydine, 4S-Hydroxy C20H23NO5 357.157622 NA MeJP NA NA +MJ044468 Corydine, N-Oxide C20H23NO5 357.157622 NA MeJP NA NA +MJ044469 Cularine, N-Oxide (?-) C20H23NO5 357.157622 NA MeJP NA NA +MJ044470 Danguyelline, N-Me C20H23NO5 357.157622 NA MeJP NA NA +MJ044471 Delavaine C20H23NO5 357.157622 NA MeJP NA NA +MJ044472 Demecolceine C20H23NO5 357.157622 NA MeJP NA NA +MJ044473 Demecolcine, O2-De-Me C20H23NO5 357.157622 NA MeJP NA NA +MJ044474 Demecolcine, O3-De-Me C20H23NO5 357.157622 NA MeJP NA NA +MJ044475 Flavinine, O,N-Di-Me, N-oxide C20H23NO5 357.157622 NA MeJP NA NA +MJ044476 Fuligorubin A C20H23NO5 357.157622 NA MeJP NA NA +MJ044477 Galanthamine, N-De-Me, O,N-di-Ac C20H23NO5 357.157622 NA MeJP NA NA +MJ044478 Isocorydine, ?-N-Oxide C20H23NO5 357.157622 NA MeJP NA NA +MJ044479 Isocorydine, 4R-Hydroxy C20H23NO5 357.157622 NA MeJP NA NA +MJ044480 Isocorypalmine, ?-N-Oxide C20H23NO5 357.157622 NA MeJP NA NA +MJ044481 Isocorypalmine, ?-N-Oxide C20H23NO5 357.157622 NA MeJP NA NA +MJ044482 Jamtine; 6-Oxo C20H23NO5 357.157622 NA MeJP NA NA +MJ044483 Lauroscholtzine, ?-N-Oxide C20H23NO5 357.157622 NA MeJP NA NA +MJ044484 Malacitanine C20H23NO5 357.157622 NA MeJP NA NA +MJ044485 Muramine; O2,O3-Di-de-Me C20H23NO5 357.157622 NA MeJP NA NA +MJ044486 N-Deacetylcolchicine C20H23NO5 357.157622 NA MeJP NA NA +MJ044487 Oconovine, N-De-Me C20H23NO5 357.157622 NA MeJP NA NA +MJ044488 Orientinine C20H23NO5 357.157622 NA MeJP NA NA +MJ044489 Pallidine; Me ether, N-oxide C20H23NO5 357.157622 NA MeJP NA NA +MJ044490 Pluviine; O10-De-Me, di-Ac C20H23NO5 357.157622 NA MeJP NA NA +MJ044491 Rhodophiala Base XXV C20H23NO5 357.157622 NA MeJP NA NA +MJ044492 Sarcocapnidine; 4R-Hydroxy, Me ether C20H23NO5 357.157622 NA MeJP NA NA +MJ044493 Sarcocapnidine; Me ether, N-oxide (?-) C20H23NO5 357.157622 NA MeJP NA NA +MJ044494 Stephabinamine C20H23NO5 357.157622 NA MeJP NA NA +MJ044495 Thaicanine, O10-De-Me C20H23NO5 357.157622 NA MeJP NA NA +MJ044496 Thalicsimidine, O1,N-Di-de-Me C20H23NO5 357.157622 NA MeJP NA NA +MJ044497 Thalicsimidine, O3,N-Di-de-Me C20H23NO5 357.157622 NA MeJP NA NA +MJ044498 Thalicsimidine, O3,O9-Di-de-Me C20H23NO5 357.157622 NA MeJP NA NA +MJ044499 Thaliporphine, N-Oxide C20H23NO5 357.157622 NA MeJP NA NA +PJ000499 TTH C14H23N5O6 357.1648 NA PeJP NA NA +MJ044500 Antibiotic BAY q 1313 C14H23N5O6 357.164833 NA MeJP NA NA +PJ000500 GGPQ C14H23N5O6 357.1649 NA PeJP NA NA +MJ044501 7-Cyano-5,7,8,9,10,11,11a,12-octahydro-5-(hydroxymethyl)-4-methoxy-13-methyl-8,11-iminoazepino[1,2-b]isoquinoline-10-carboxylic acid C19H23N3O4 357.168856 NA MeJP NA NA +MJ044502 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 6-O-(1-Methyl-2-pyrrolecarbonyl), 3-O-(2-pyrrolecarbonyl) C19H23N3O4 357.168856 NA MeJP NA NA +MJ044503 Antibiotic A 65636 C19H23N3O4 357.168856 NA MeJP NA NA +MJ044504 Mazethramycin A; Et ether C19H23N3O4 357.168856 NA MeJP NA NA +MJ044505 Porothramycin A; Me ether C19H23N3O4 357.168856 NA MeJP NA NA +MJ044506 3-Butyl-3-ethyl-2,3,4,5-tetrahydro-5-phenyl-1,4-benzothiazepine, S,S-Dioxide C21H27NO2S 357.176249 NA MeJP NA NA +7859 ACE inhibitor IEP 357.178 ACE inhibitor Inhouse_peptide NA peptide +8139 synthetic peptide PEL 357.178 stimulating Inhouse_peptide NA peptide +MJ044507 Indicine; 3'-Ac, N-oxide C17H27NO7 357.178752 NA MeJP NA NA +MJ044508 Ipanguline D3; 2'',3''-Di-Ac C17H27NO7 357.178752 NA MeJP NA NA +MJ044509 Uplandicine C17H27NO7 357.178752 NA MeJP NA NA +C10412 Uplandicine C17H27NO7 357.1788 NA KEGG NA NA +MJ044510 Cafedrine C18H23N5O3 357.180089 NA MeJP NA NA +MJ044511 Flupranone C20H24FN3O2 357.185255 NA MeJP NA NA +MJ044512 Nardeterol C20H24FN3O2 357.185255 NA MeJP NA NA +MJ044513 Setastine C22H28ClNO 357.185942 NA MeJP NA NA +MJ044514 Antibiotic UCK 14C C16H27N3O6 357.189985 NA MeJP NA NA +MJ044515 Belactosin C C16H27N3O6 357.189985 NA MeJP NA NA +PJ000501 PLE C16H27N3O6 357.19 NA PeJP NA NA +C07251 Nalbuphine C21H27NO4 357.194 NA KEGG NA NA +C09558 Laudanosine C21H27NO4 357.194 NA KEGG NA NA +MJ044516 Epilupinine, O-(4-Acetoxy-E-cinnamoyl) C21H27NO4 357.194008 NA MeJP NA NA +MJ044517 Hetidine C21H27NO4 357.194008 NA MeJP NA NA +MJ044518 Laudanosine C21H27NO4 357.194008 NA MeJP NA NA +MJ044519 Nalbuphine C21H27NO4 357.194008 NA MeJP NA NA +MJ044520 Protostephanine C21H27NO4 357.194008 NA MeJP NA NA +MJ044521 Sczukidine C21H27NO4 357.194008 NA MeJP NA NA +MJ044522 Laudanidine, N-Me C21H28NO4(+) 357.194008 NA MeJP NA NA +MJ044523 Miltanthine C21H28NO4(+) 357.194008 NA MeJP NA NA +MJ044524 Pseudolaudanine, N-Me C21H28NO4(+) 357.194008 NA MeJP NA NA +C01341 E-64 C15H27N5O5 357.2012 NA KEGG NA NA +PJ000502 PNK C15H27N5O5 357.2012 NA PeJP NA NA +MJ044525 Rexostatine C15H27N5O5 357.201218 NA MeJP NA NA +C10757 Calpurnine C20H27N3O3 357.2052 NA KEGG NA NA +MJ044526 Calpurnine C20H27N3O3 357.205241 NA MeJP NA NA +MJ044527 Virgiline; 2-Pyrrolecarboxylate C20H27N3O3 357.205241 NA MeJP NA NA +MJ044528 Cinfenine C25H27NO 357.209264 NA MeJP NA NA +C16546 N-Desmethyltamoxifen C25H27NO 357.2093 NA KEGG NA NA +MJ044529 Broussonetine R C18H31NO6 357.215137 NA MeJP NA NA +MJ044530 Ipanguline D3; 2''-Epimer, 7-O-(2-methylbutanoyl) C18H31NO6 357.215137 NA MeJP NA NA +MJ044531 Ipanguline D3; 3''-(2-Methylbutanoyl) C18H31NO6 357.215137 NA MeJP NA NA +MJ044532 Ipanguline D3; 7-O-(2-Methylbutanoyl) C18H31NO6 357.215137 NA MeJP NA NA +MJ044533 Centphenaquin C24H27N3 357.220497 NA MeJP NA NA +MJ044534 4-(4-Fluorophenyl)-2-methyl-6-[[5-(1-piperidinyl)pentyl]oxy]pyrimidine C21H28FN3O 357.22164 NA MeJP NA NA +MJ044535 Amicibone C22H31NO3 357.230393 NA MeJP NA NA +MJ044536 Crocacin A; N10-De(aminoalkyl) C22H31NO3 357.230393 NA MeJP NA NA +MJ044537 Daphnilactone B; 2-Hydroxy C22H31NO3 357.230393 NA MeJP NA NA +MJ044538 Daphnilactone B; N-Oxide C22H31NO3 357.230393 NA MeJP NA NA +MJ044539 Dehydronapelline C22H31NO3 357.230393 NA MeJP NA NA +MJ044540 Epostane C22H31NO3 357.230393 NA MeJP NA NA +MJ044541 Kirinine B C22H31NO3 357.230393 NA MeJP NA NA +MJ044542 Oxybutynin C22H31NO3 357.230393 NA MeJP NA NA +MJ044543 Retrofractamides; Retrofractamide B, 10,11-Dihydro C22H31NO3 357.230393 NA MeJP NA NA +MJ044544 Septatisine C22H31NO3 357.230393 NA MeJP NA NA +MJ044545 Songorine C22H31NO3 357.230393 NA MeJP NA NA +MJ044546 Spiradine G C22H31NO3 357.230393 NA MeJP NA NA +MJ044547 Spiramine C C22H31NO3 357.230393 NA MeJP NA NA +MJ044548 Spiramine Z2 C22H31NO3 357.230393 NA MeJP NA NA +MJ044549 Spirasine VII; 9-Deoxy C22H31NO3 357.230393 NA MeJP NA NA +C07360 Oxybutynin C22H31NO3 357.2304 NA KEGG NA NA +C08707 Songorine C22H31NO3 357.2304 NA KEGG NA NA +3356 Stimulating vasoactive substance release LLL 357.252 celiac toxic Inhouse_peptide NA peptide +C11328 Leucyl-leucyl-norleucine C18H35N3O4 357.2628 NA KEGG NA NA +PJ000503 LLL C18H35N3O4 357.2628 NA PeJP NA NA +MJ044550 20-Aminopregna-1,4-dien-3-one, N,N-Di-Me, 18-hydroxy C23H35NO2 357.266779 NA MeJP NA NA +MJ044551 Daphnilactone A C23H35NO2 357.266779 NA MeJP NA NA +MJ044552 Paravallarine; 20-Epimer, N-Me C23H35NO2 357.266779 NA MeJP NA NA +MJ044553 Paravallarine; 3-Epimer, N-Me C23H35NO2 357.266779 NA MeJP NA NA +MJ044554 Paravallarine; N-Me C23H35NO2 357.266779 NA MeJP NA NA +MJ044555 Tonazocine C23H35NO2 357.266779 NA MeJP NA NA +MJ044556 Zenazocine C23H35NO2 357.266779 NA MeJP NA NA +MJ044557 Antibiotic BE 18591 C22H35N3O 357.278012 NA MeJP NA NA +C11307 Cetylpyridinium chloride C21H38N 357.2798 NA KEGG NA NA +MJ044558 Leptophyllin A; O3-Ac C20H39NO4 357.287908 NA MeJP NA NA +MJ044559 Buxandonine L C24H39NO 357.303164 NA MeJP NA NA +3629 NA YPFGFS~ 357.66 MH2+ Inhouse_peptide NA peptide +3468 analogue of fibronectin GRGDSPK 357.67395 MH2+ Inhouse_peptide NA peptide +3808 peptide from soybean b-conglycinin (Glycine max) VIPAGYP 357.6885 MH2+ Inhouse_peptide NA peptide +3961 f(165-170) of ovine alpha s2-casein LKKISQ 357.723 MH2+ Inhouse_peptide NA peptide +8179 peptide derived from ovine aS2-casein (165û170) LKKISQ 357.723 MH2+ Inhouse_peptide NA peptide +MJ044560 2,3,5-Tribromo-4-hydroxybenzyl alcohol C7H5Br3O2 357.783967 NA MeJP NA NA +C14201 2,2',4,4',5,5'-Hexachlorobiphenyl C12H4Cl6 357.8444 NA KEGG NA NA +C14202 2,2',4,4',6,6'-Hexachlorobiphenyl C12H4Cl6 357.8444 NA KEGG NA NA +C14367 2,2',3,3',5,5'-Hexachlorobiphenyl C12H4Cl6 357.8444 NA KEGG NA NA +C14369 2,2',3,3',6,6'-Hexachlorobiphenyl C12H4Cl6 357.8444 NA KEGG NA NA +C18115 3,4,5,3',4',5'-Hexachlorobiphenyl C12H4Cl6 357.8444 NA KEGG NA NA +C18120 2,3,3',4,4',5-Hexachlorobiphenyl C12H4Cl6 357.8444 NA KEGG NA NA +C18121 2,3,3',4,4',5'-Hexachlorobiphenyl C12H4Cl6 357.8444 NA KEGG NA NA +C18122 2,3',4,4',5,5'-Hexachlorobiphenyl C12H4Cl6 357.8444 NA KEGG NA NA +MJ044561 Aplysinadiene C12H8Br2O3 357.884019 NA MeJP NA NA +MJ044562 2-Cyano-N-(2,5-dibromophenyl)-3-hydroxy-2-butenamide C11H8Br2N2O2 357.895252 NA MeJP NA NA +MJ044563 Triclabendazole C14H9Cl3N2OS 357.950116 NA MeJP NA NA +C03444 p-Chloromercuribenzoate C7H5ClHgO2 357.9684 NA KEGG NA NA +C03446 tRNA containing ribothymidine at position 54 C10H15N2O9P 357.9684 NA KEGG NA NA +MetaCyc03171 p-chloromercuribenzoate [4-chloromercuribenzoic acid;(4-carboxyphenyl)-chloro-mercury;p-CMB;] C7H5O2CL1HG1 357.968433 NA metacyc NA NA +MJ044564 Clofenvinfos C12H14Cl3O4P 357.969528 NA MeJP NA NA +MJ044565 Nitroclofene C13H8Cl2N2O6 357.975941 NA MeJP NA NA +MJ044566 Gliotoxin E C13H14N2O4S3 358.011569 NA MeJP NA NA +MJ044567 Mifobate C11H17ClO7P2 358.013803 NA MeJP NA NA +C13678 4-(N-Maleimido)phenyltrimethylammonium iodide C13H15N2O2 358.0178 NA KEGG NA NA +MJ044568 Austocystin A; 4-O-De-Me C18H11ClO6 358.024415 NA MeJP NA NA +MJ044569 Sterigmatocystin; 9-Chloro C18H11ClO6 358.024415 NA MeJP NA NA +MJ044570 Slagenine A; 11,15-Diepimer, 11-Me ether C12H15BrN4O4 358.027667 NA MeJP NA NA +MJ044571 Slagenine A; 11-Me ether C12H15BrN4O4 358.027667 NA MeJP NA NA +FL5FPTNS0003 Distemonanthin;3,4,8,10-Tetrahydroxy-9-methoxy-[2]benzopyrano[4,3-b][1]benzopyran-5,7-dione C17H10O9 358.03248 549-20-2 knapsack NA NA +MJ044572 Distemonanthin C17H10O9 358.032481 NA MeJP NA NA +MJ044573 Flavellagic acid; 7,8-Methylene, 2,3-di-Me ether C17H10O9 358.032481 NA MeJP NA NA +MJ044574 Substictic acid; O-De-Me C17H10O9 358.032481 NA MeJP NA NA +MJ044575 Galactaric acid; 1,4-Lactone, 2-O-(3,4,5-trihydroxybenzoyl), Me ester C14H14O11 358.053611 NA MeJP NA NA +MJ044576 Galactaric acid; 1,4-Lactone, 5-O-(3,4,5-trihydroxybenzoyl), Me ester C14H14O11 358.053611 NA MeJP NA NA +MJ044577 Etoricoxib C18H15ClN2O2S 358.054276 NA MeJP NA NA +C11718 L791456 C18H15ClN2O2S 358.0543 NA KEGG NA NA +MJ044578 1-[[[4-(Aminocarbonyl)pyridinio]methoxy]methyl]-2-[(hydroxyimino)methyl]pyridinium(2+); Dichloride C14H16Cl2N4O3 358.059945 NA MeJP NA NA +MJ044579 Obidoxime(2+); Dichloride C14H16Cl2N4O3 358.059945 NA MeJP NA NA +MJ044580 Octosyl acid B; 5-Carboxylic acid C13H14N2O10 358.064844 NA MeJP NA NA +MJ044581 ?-[(Butylthio)methyl]-?-(2,4-dichlorophenyl)-1H-imidazole-1-ethanol C16H20Cl2N2OS 358.067339 NA MeJP NA NA +FL3FACNS0002 Luteolin 7-lactate C18H14O8 358.06886 126394-95-4 knapsack NA NA +FL3FGCNS0013 Linderoflavone A C18H14O8 358.06886 - knapsack NA NA +FL3FQUNS0001 5-Hydroxy-7,2',4'-trimethoxy-3',6'-diketoflavone C18H14O8 358.06886 - knapsack NA NA +FL5FECNS0040 5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone C18H14O8 358.06886 93078-84-3 knapsack NA NA +FL5FECNS0041 3,7-Dihydroxy-5,6-dimethoxy-3',4'-methylenedioxyflavone C18H14O8 358.06886 138935-85-0 knapsack NA NA +FL5FF8NS0008 3,5,8,2'-Tetrahydroxy-7-methoxyflavone 8-acetate C18H14O8 358.06886 112161-56-5 knapsack NA NA +FL5FFANS0019 Pollenitin 8-acetate C18H14O8 358.06886 69306-84-9 knapsack NA NA +FL5FFCNS0036 2-(1,3-Benzodioxol-5-yl)-5,7-dihydroxy-3,8-dimethoxy-4H-1-benzopyran-4-one;3,8-dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone C18H14O8 358.06886 132537-17-8 knapsack NA NA +FLIAEGNS0004 5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone C18H14O8 358.06886 88509-91-5 knapsack NA NA +FLIAELNS0002 Dalpalatin C18H14O8 358.06886 126595-77-5 knapsack NA NA +MJ044582 1,2,3,4,5,8-Hexahydroxy-6-methylanthraquinone; 1,2-Methylene,3,4-di-Me ether C18H14O8 358.068867 NA MeJP NA NA +MJ044583 1,3,6,7-Tetrahydroxyxanthone; 7-Me ether, 3,6-di-Ac C18H14O8 358.068867 NA MeJP NA NA +MJ044584 1,4,6,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid; 6,8-Di-Me ether C18H14O8 358.068867 NA MeJP NA NA +MJ044585 1,4-Dihydroxy-6,7-dimethoxy-3-methylanthraquinone-2-carboxylic acid C18H14O8 358.068867 NA MeJP NA NA +MJ044586 2',3,5,7,8-Pentahydroxyflavone; 7-Me ether, 8-Ac C18H14O8 358.068867 NA MeJP NA NA +MJ044587 2',4',5,5',6,7-Hexahydroxyisoflavone; 2',6-Di-Me, 4',5'-methylene ether C18H14O8 358.068867 NA MeJP NA NA +MJ044588 3',4',5,6,7,8-Hexahydroxyflavone; 6,8-Di-Me, 3',4'-methylene ether C18H14O8 358.068867 NA MeJP NA NA +MJ044589 3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid C18H14O8 358.068867 NA MeJP NA NA +MJ044590 3,3',4',5',7,8-Hexahydroxyflavone; 3',4'-Methylene, 5',8-di-Me ether C18H14O8 358.068867 NA MeJP NA NA +MJ044591 3,3',4',5,6,7-Hexahydroxyflavone; 3',4'-Methylene, 5,6-di-Me ether C18H14O8 358.068867 NA MeJP NA NA +MJ044592 3,3',4',5,6,7-Hexahydroxyflavone; 6,7-Methylene 3,3'-di-Me ether C18H14O8 358.068867 NA MeJP NA NA +MJ044593 3,4',5,7,8-Pentahydroxyflavone; 7-Me ether, 8-Ac C18H14O8 358.068867 NA MeJP NA NA +MJ044594 4-(2-Carboxyethenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid C18H14O8 358.068867 NA MeJP NA NA +MJ044595 7-Carboxy-3,3',4',5-tetrahydroxyflavone; 4'-Me ether, Me ester C18H14O8 358.068867 NA MeJP NA NA +MJ044596 Asparasone A C18H14O8 358.068867 NA MeJP NA NA +MJ044597 Bryebinalquinone C18H14O8 358.068867 NA MeJP NA NA +MJ044598 Dehydrodicaffeic acid dilactone C18H14O8 358.068867 NA MeJP NA NA +MJ044599 Ellagic acid; Tetra-Me ether C18H14O8 358.068867 NA MeJP NA NA +MJ044600 Hyposalazinic acid C18H14O8 358.068867 NA MeJP NA NA +MJ044601 Phellinsin A C18H14O8 358.068867 NA MeJP NA NA +MJ044602 Psoromic acid C18H14O8 358.068867 NA MeJP NA NA +MJ044603 Usararotenoid A; 12R-Alcohol C18H14O8 358.068867 NA MeJP NA NA +MJ044604 Virensic acid C18H14O8 358.068867 NA MeJP NA NA +C10969 SC-1271 C18H15ClN2O4 358.072 NA KEGG NA NA +C12478 Coumeroic acid C17H14N2O7 358.0801 NA KEGG NA NA +MJ044605 Obafluorin C17H14N2O7 358.0801 NA MeJP NA NA +MJ044606 Deacetoxycephalosporin C; 5'-Deamino, 5'-hydroxy C14H18N2O7S 358.083471 NA MeJP NA NA +MJ044607 Miraxanthin I C14H18N2O7S 358.083471 NA MeJP NA NA +C08554 Miraxanthin-I C14H18N2O7S 358.0835 NA KEGG NA NA +FL3FA9NS0004 5,7-Dihydroxyflavone 7-benzoate C22H14O5 358.08412 106009-51-2 knapsack NA NA +MJ044608 5,7-Dihydroxyflavone; 7-O-Benzoyl C22H14O5 358.084123 NA MeJP NA NA +MJ044609 Sargassumketone C15H18O10 358.089996 NA MeJP NA NA +HMDB03882 N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole C14H19N2O7P 358.092987 NA HMDB2010 NA NA +MJ044610 N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole C14H19N2O7P 358.092987 NA MeJP NA NA +MetaCyc03172 α-ribazole-5'-P [N1-(5'-phospho-α-D-ribosyl)-5,6-dimethylbenzimidazole;DMB-ribose-5'-P;] C14H19N2O7P1 358.092987 NA metacyc NA NA +C04778 N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole C14H19N2O7P 358.093 NA KEGG NA NA +C04779 rRNA containing a single residue of 2'-O-methyladenosine C11H16N5O7P 358.093 NA KEGG NA NA +HMDB01416 Pantetheine 4'-phosphate C11H23N2O7PS 358.096344 NA HMDB2010 NA NA +MJ044611 Pantetheine 4'-phosphate C11H23N2O7PS 358.096358 NA MeJP NA NA +MetaCyc03173 pantetheine 4'-phosphate [phosphopantotheine;pantotheine-4'-phosphate;4'-phosphopantetheine;phosphopantetheine;] C11H23N2O7P1S1 358.096358 NA metacyc NA NA +MetaCyc03174 4'-phosphopanthetheine [phosphopanthetheine;4'-P-Panthetheine;] C11H23N2O7P1S1 358.096358 NA metacyc NA NA +HMDB01416 Pantetheine 4'-phosphate C11H23N2O7PS 358.09637 http://www.hmdb.ca/metabolites/HMDB01416 HMDB NA NA +HMDB01416 Pantetheine 4'-phosphate C11H23N2O7PS 358.09637 HMDB01416 PFEM_hmdb_metabocards_official NA NA +C01134 Pantetheine 4'-phosphate C11H23N2O7PS 358.0964 NA KEGG NA NA +C01135 Phospho-beta-D-glucoside C11H23N2O7PS 358.0964 NA KEGG NA NA +EUR371 Vitamin B12 F5 F5 358.100175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR371 Vitamine B12 F5 NA 358.100175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR371 Vitamin B12 F5 F5 358.100175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR371 Vitamine B12 F5 NA 358.100175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR371 Vitamin B12 F5 F5 358.100175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR371 Vitamine B12 F5 NA 358.100175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR371 Vitamin B12 F5 F5 358.100175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR371 Vitamin B12 F5 F5 358.100175 standards wishlist analysés sur QTOF HMDB NA NA +EUR371 Vitamin B12 F5 F5 358.100175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR371 Vitamine B12 F5 NA 358.100175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR371 Vitamin B12 F5 F5 358.100175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR371 Vitamin B12 F5 F5 358.100175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +FL1CHYNS0009 Ponganone X;3,4-Methylenedioxy-2',4',6'-trimethoxy-beta-hydroxychalcone C19H18O7 358.10525 142608-96-6 knapsack NA NA +FL2FQUNM0002 Scaberin C19H18O7 358.10525 41093-66-7 knapsack NA NA +FL3F2GNS0002 Prosogerin D C19H18O7 358.10525 75656-30-3 knapsack NA NA +FL3F3GNS0002 3'-Hydroxy-7,8,4',5'-tetramethoxyflavone C19H18O7 358.10525 133342-98-0 knapsack NA NA +FL3FAKNM0001 5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-dimethylflavone C19H18O7 358.10525 - knapsack NA NA +FL3FALNS0009 Isoetin 7,2',4',5'-tetramethyl ether;5-Hdroxy-7,2',4',5'-tetramethoxyflavone;5-Hydroxy-7-methoxy-2-(2,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C19H18O7 358.10525 159119-07-0 knapsack NA NA +FL3FCKNS0001 Corymbosin;5-Hydroxy-3',4',5',7-tetramethoxyflavone;5-Hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C19H18O7 358.10525 18103-41-8 knapsack NA NA +FL3FECNS0015 6-Hydroxyluteolin 5,6,7,4'-tetramethyl ether C19H18O7 358.10525 21764-09-0 knapsack NA NA +FL3FECNS0016 6-Hydroxyluteolin 5,6,3',4'-tetramethyl ether C19H18O7 358.10525 40983-99-1 knapsack NA NA +FL3FECNS0017 6-Hydroxyluteolin 6,7,3',4'-tetramethyl ether;5-Hydroxy-6,7,3',4'-tetramethoxyflavone;2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one C19H18O7 358.10525 21763-80-4 knapsack NA NA +FL3FECNS0021 Ageconyflavone B;5,6,7,3'-Tetramethoxy-4'-hydroxyflavone;2-(4-Hydroxy-3-methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one C19H18O7 358.10525 51145-80-3 knapsack NA NA +FL3FF8NS0012 Altisin C19H18O7 358.10525 57765-78-3 knapsack NA NA +FL3FF8NS0016 5-Hydroxy-2',3',7,8-tetramethoxyflavone;2-(2,3-Dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one C19H18O7 358.10525 4767-67-3 knapsack NA NA +FL3FF8NS0017 5-hydroxy-7,8,2',5'tetramethoxyflavone;2-(2,5-Dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one C19H18O7 358.10525 497918-31-7 knapsack NA NA +FL3FFCNS0006 Hypolaetin 7,8,3',4'-tetramethyl ether;5-Hydroxy-7,8,3',4'-tetramethoxyflavone;2-(3,4-Dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one C19H18O7 358.10525 13003-74-2 knapsack NA NA +FL3FFLNS0001 2-(2,4-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxyflavone C19H18O7 358.10525 123316-61-0 knapsack NA NA +FL3FGANS0009 7-Hydroxy-5,6,8,4'-tetramethoxyflavone C19H18O7 358.10525 73213-66-8 knapsack NA NA +FL3FGANS0010 Gardenin B;Demethyltangeretin;5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C19H18O7 358.10525 2798-20-1 knapsack NA NA +FL3FGANS0014 4'-Hydroxy-5,6,7,8-tetramethoxyflavone;2-(4-Hydroxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one C19H18O7 358.10525 36950-98-8 knapsack NA NA +FL4DA9NS0012 5,7,3'-Trihydroxy-3-O-isobutyrylflavanone C19H18O7 358.10525 160012-84-0 knapsack NA NA +FL5F1GNS0006 4'-Hydroxy-3,7,3',5'-tetramethoxyflavone;2-(4-Hydroxy-3,5-dimethoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one C19H18O7 358.10525 223902-80-5 knapsack NA NA +FL5F2CNS0002 Santoflavone C19H18O7 358.10525 163318-81-8 knapsack NA NA +FL5FDCNM0005 2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6,8-dimethyl-4H-1-benzopyran-4-one C19H18O7 358.10525 181884-09-3 knapsack NA NA +FL5FDDNM0002 6-C-Methylquercetin 3,7,3'-trimethyl ether;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one C19H18O7 358.10525 99339-48-7 knapsack NA NA +FL5FDDNM0003 5,4'-Dihydroxy-3,7,3'-trimethoxy-8-methylflavone C19H18O7 358.10525 - knapsack NA NA +FL5FDDNM0004 5,7,4'-Trihydroxy-3,3'-dimethoxy-6,8-dimethylflavone C19H18O7 358.10525 99339-47-6 knapsack NA NA +FL5FDDNS0004 Quercetin 3,5,7,3'-tetramethyl ether;3,5,7,3'-Tetramethoxy-4'-hydroxyflavone;2-(4-Hydroxy-3-methoxyphenyl)-3,5,7-trimethoxy-4H-1-benzopyran-4-one C19H18O7 358.10525 33554-60-8 knapsack NA NA +FL5FDENS0003 Quercetin 3,5,7,4'-tetramethyl ether C19H18O7 358.10525 1832-98-0 knapsack NA NA +FL5FDFNS0002 Quercetin 3,5,3',4'-tetramethyl ether C19H18O7 358.10525 33554-59-5 knapsack NA NA +FL5FDFNS0003 Retusin(Ariocarpus);Quercetin 3,7,3',4'-tetramethyl ether;Retusine;5-Hydroxy-3,7,3',4'-tetramethoxyflavone;2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one C19H18O7 358.10525 1245-15-4 knapsack NA NA +FL5FDFNS0004 Quercetin 5,7,3',4'-tetramethyl ether C19H18O7 358.10525 1244-78-6 knapsack NA NA +FL5FEANM0001 8-C-Methyl-6-hydroxykaempferol 3,6,7-trimethyl ether;5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-8-methyl-4H-1-benzopyran-4-one C19H18O7 358.10525 151649-38-6 knapsack NA NA +FL5FEANS0018 5-Hydroxy-3,6,7,4'-tetramethoxyflavone;6-Hydroxykaempferol-3,6,7,4'-tetramethyl ether;Penduletin 4'-methyl ether;5-Hydroxy-3,6,7-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C19H18O7 358.10525 14787-34-9 knapsack NA NA +FL5FF8NS0003 5-Hydroxy-3,7,8,2'-tetramethoxyflavone C19H18O7 358.10525 86828-02-6 knapsack NA NA +FL5FFANM0002 5-Hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-6-methyl-4H-1-benzopyran-4-one C19H18O7 358.10525 194157-52-3 knapsack NA NA +FL5FFANS0015 Flindulatin;5-Hydroxy-3,4',7,8-tetramethoxyflavone;3,7,8,4'-Tetramethylherbacetin;5-Hydroxy-3,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C19H18O7 358.10525 521-44-8 knapsack NA NA +FL5FG9NS0005 5-Hydroxy-3,6,7,8-tetramethoxyflavone;5-Hydroxy-3,6,7,8-tetramethoxy-2-phenyl-4H-1-benzopyran-4-one C19H18O7 358.10525 15249-62-4 knapsack NA NA +FLIA2LNS0004 7-Hydroxy-6,2',4',5'-tetramethoxyisoflavone C19H18O7 358.10525 22773-72-4 knapsack NA NA +FLIAALNS0006 Robustigenin;5-Hydroxy-7,2',4',5'-tetramethoxyisoflavone C19H18O7 358.10525 72545-39-2 knapsack NA NA +FLIAECNS0011 Belamcandin;5-Hydroxy-6,7,3',4'-tetramethoxyisoflavone C19H18O7 358.10525 78134-88-0 knapsack NA NA +FLIFALNS0001 Sermundone C19H18O7 358.10525 41743-42-4 knapsack NA NA +FLIFHXNS0001 12a-Hydroxymunduserone C19H18O7 358.10525 66280-24-8 knapsack NA NA +FLNAFCNS0003 8-Hydroxy-5,7,3',4'-tetramethoxy-4-phenylcoumarin C19H18O7 358.10525 126633-46-3 knapsack NA NA +FLNAFCNS0004 3'-Hydroxy-5,7,8,4'-tetramethoxy-4-phenylcoumarin C19H18O7 358.10525 131889-71-9 knapsack NA NA +MJ044612 1,2,3,5,8-Pentahydroxy-6-methylanthraquinone; 2,3,5,8-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044613 1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 1,2,3,7-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044614 1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 1,2,3,8-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044615 1,3,8-Trihydroxy-6-methylxanthone; 3-O-(4-Hydroxy-3-hydroxymethyl-2-butenyl) C19H18O7 358.105252 NA MeJP NA NA +MJ044616 2',3',5,6,7-Pentahydroxyisoflavone; 2',5,6,7-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044617 2',3,5,7,8-Pentahydroxyflavone; 2',3,7,8-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044618 2',4',5',6,7-Pentahydroxyisoflavone; 2',4',5',6-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044619 2',4',5',6,7-Pentahydroxyisoflavone; 2',4',5',7-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044620 2',4',5,5',7-Pentahydroxyflavone; 2',4',5',7-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044621 2',4',5,5',7-Pentahydroxyflavone; 2',5,5',7-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044622 2',4',5,5',7-Pentahydroxyisoflavone; 2',4',5',7-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044623 2',4',5,7,8-Pentahydroxyflavone; 2',4',7,8-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044624 2',5,6',7,8-Pentahydroxyflavone; 2',6',7,8-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044625 2,2,4,6,9-Pentahydroxy-7-methyl-1H-phenalene-1,3(2H)-dione; 6-O-(3-Methyl-2-butenyl) C19H18O7 358.105252 NA MeJP NA NA +MJ044626 2,3',4',5,7-Pentahydroxyflavanone; 2',4',6'-Tri-Me, 3,4-methylene ether C19H18O7 358.105252 NA MeJP NA NA +MJ044627 2,3,4,8,9-Pentahydroxypterocarpan, 2,3,4-Tri-Me, 8,9-methylene ether C19H18O7 358.105252 NA MeJP NA NA +MJ044628 3',4',5',6,7-Pentahydroxyflavone; 3',4',5',6-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044629 3',4',5',7,8-Pentahydroxyflavone; 4',5',7,8-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044630 3',4',5,5',7-Pentahydroxy-6-methylisoflavone; 3',5,5'-Tri-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044631 3',4',5,5',7-Pentahydroxyflavone; 3',4',5',7-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044632 3',4',5,6,7-Pentahydroxy-8-methylflavone; 3',6,7-Tri-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044633 3',4',5,6,7-Pentahydroxyflavanone, 3',4'-Methylene, 5,6,7-tri-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044634 3',4',5,6,7-Pentahydroxyflavone; 3',4',5,6-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044635 3',4',5,6,7-Pentahydroxyflavone; 3',4',6,7-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044636 3',4',5,6,7-Pentahydroxyflavone; 3',5,6,7-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044637 3',4',5,6,7-Pentahydroxyflavone; 4',5,6,7-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044638 3',4',5,6,7-Pentahydroxyisoflavone; 3',4',6,7-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044639 3',4',5,7,8-Pentahydroxyflavone; 3',4',7,8-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044640 3',4'-Deoxypsorospermin, 3',4'-Dihydro, 3',4'-dihydroxy C19H18O7 358.105252 NA MeJP NA NA +MJ044641 3,3',4',5',7-Pentahydroxyflavone; 3,3',5',7-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044642 3,3',4',5,7-Pentahydroxy-6,8-dimethylflavone; 3,3'-Di-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044643 3,3',4',5,7-Pentahydroxy-6,8-dimethylflavone; 3,7-Di-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044644 3,3',4',5,7-Pentahydroxy-6-methylflavone; 3,3',7-Tri-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044645 3,3',4',6,7-Pentahydroxyflavone; 3,3',4',6-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044646 3,3',5,7-Tetrahydroxyflavanone, 3-O-(2-Methylpropanoyl) C19H18O7 358.105252 NA MeJP NA NA +MJ044647 3,4',5,6,7-Pentahydroxy-8-methylflavone; 3,6,7-Tri-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044648 3,4',5,6,7-Pentahydroxyflavone; 3,4',5,7-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044649 3,4',5,6,7-Pentahydroxyflavone; 3,4',6,7-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044650 3,4',5,7,8-Pentahydroxy-6-methylflavone; 3,4',8-Tri-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044651 3,4',5,7,8-Pentahydroxy-6-methylflavone; 3,7,8-Tri-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044652 3,4',5,7,8-Pentahydroxyflavone; 3,4',7,8-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044653 3,5,6,7,8-Pentahydroxyflavone; 3,6,7,8-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044654 3,5,7,9,11-Tridecapentayne-1,2-diol; 2-O-?-D-Glucopyranoside C19H18O7 358.105252 NA MeJP NA NA +MJ044655 4',5,6,7,8-Pentahydroxyflavone; 4',5,6,8-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044656 4',5,6,7,8-Pentahydroxyflavone; 4',6,7,8-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044657 4',5,6,7,8-Pentahydroxyflavone; 5,6,7,8-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044658 4-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-2H-1-benzopyran-2-one; 3',4',5,7-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044659 4-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-2H-1-benzopyran-2-one; 4',5,7,8-Tetra-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044660 5,7,8-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone; 7-Me ether, 8-Ac C19H18O7 358.105252 NA MeJP NA NA +MJ044661 5,7-Dihydroxy-3-(3,4,5-trihydroxybenzyl)phthalide, 3',5,7-Tri-Me, 4',5'-methylene ether C19H18O7 358.105252 NA MeJP NA NA +MJ044662 5,7-Dihydroxy-6,8-dimethyl-3-(2,3,4-trihydroxybenzyl)chromone; 2,3-Dihydro, 3',4'-methylene ether C19H18O7 358.105252 NA MeJP NA NA +MJ044663 Aflatoxin B1, 15,16-Dihydro, 16-ethoxy C19H18O7 358.105252 NA MeJP NA NA +MJ044664 Benfurodil hemisuccinate C19H18O7 358.105252 NA MeJP NA NA +MJ044665 Cillianone C19H18O7 358.105252 NA MeJP NA NA +MJ044666 Clauslactone B; 7'-Deoxy, 7',9'-didehydro C19H18O7 358.105252 NA MeJP NA NA +MJ044667 Elmycin C C19H18O7 358.105252 NA MeJP NA NA +MJ044668 Excavatin D, 9'-Hydroxy, 2'?,3'?-epoxide C19H18O7 358.105252 NA MeJP NA NA +MJ044669 Funicone; 3-Deoxy C19H18O7 358.105252 NA MeJP NA NA +MJ044670 Garcinisidone F C19H18O7 358.105252 NA MeJP NA NA +MJ044671 Gerontoxanthone D C19H18O7 358.105252 NA MeJP NA NA +MJ044672 Gliricidol; 2-Methoxy, 9-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044673 Hypoprotocetraric acid; 3-Me ether C19H18O7 358.105252 NA MeJP NA NA +MJ044674 Munduserone, 11-Hydroxy C19H18O7 358.105252 NA MeJP NA NA +MJ044675 Norherqueinone C19H18O7 358.105252 NA MeJP NA NA +MJ044676 Pannaric acid; Di-Me ether, 2-Me ester C19H18O7 358.105252 NA MeJP NA NA +MJ044677 Psorospermindiol C19H18O7 358.105252 NA MeJP NA NA +MJ044678 Sakyomicin B, 2-Deoxy, 5,6-dihydro C19H18O7 358.105252 NA MeJP NA NA +MJ044679 Scaberin C19H18O7 358.105252 NA MeJP NA NA +MJ044680 Spectomycin A2 C19H18O7 358.105252 NA MeJP NA NA +C15109 Gardenin B C19H18O7 358.1053 NA KEGG NA NA +C17669 Chryso-obtusin C19H18O7 358.1053 NA KEGG NA NA +MetaCyc03175 deacetoxycephalosporin C [] C14H20N3O6S1 358.107281 NA metacyc NA NA +MJ044681 Viroxime C17H18N4O3S 358.109961 NA MeJP NA NA +MJ044682 Maltobionic acid C12H22O12 358.111126 NA MeJP NA NA +MJ044683 Melibionic acid C12H22O12 358.111126 NA MeJP NA NA +MetaCyc03176 melibionate [melibionic acid;6-O-α-D-galactopyranosyl-D-gluconic acid;] C12H22O12 358.111126 NA metacyc NA NA +CJpos0769 Hippuric acid [(2M+H)]+ C18H19N2O6 358.115975 C18rt(min)=5.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0769 Hippuric acid [(2M+H)]+ C18H19N2O6 358.115975 C18rt(min)=5.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJneg0556 Hippuric acid [(2M-H)]- C18H17N2O6 358.117025 C18rt(min)=5.87 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0556 Hippuric acid [(2M-H)]- C18H17N2O6 358.117025 C18rt(min)=5.87 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ044684 3,5-Dihydroxy-4(15),10(14)-guaiadien-12,8-olide, 10,14-Dihydro, 10?-hydroxy, 14-chloro, 3-Ac C17H23ClO6 358.118316 NA MeJP NA NA +MJ044685 1-(3,4-Dihydroxyphenyl)-3-hydroxy-1-propanone; 3'-Me ether, 3-O-?-D-glucopyranoside C16H22O9 358.126382 NA MeJP NA NA +MJ044686 2',4',6'-Trihydroxy-3'-methylacetophenone; 6'-Me ether, 4'-O-?-D-glucopyranoside C16H22O9 358.126382 NA MeJP NA NA +MJ044687 2-(3,4-Dihydroxyphenyl)-1,3-propanediol; 3',4'-Methylene ether, 1-O-?-D-glucopyranoside C16H22O9 358.126382 NA MeJP NA NA +MJ044688 2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2-O-?-Glucopyranoside C16H22O9 358.126382 NA MeJP NA NA +MJ044689 3',4',5'-Trihydroxyacetophenone; 3',5'-Di-Me ether, 4'-O-?-D-glucopyranoside C16H22O9 358.126382 NA MeJP NA NA +MJ044690 3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-O-?-D-glucopyranoside C16H22O9 358.126382 NA MeJP NA NA +MJ044691 6,7-Epoxy-4,5,9-trihydroxy-8-oxo-2-dodecenoic acid; 4,9-Di-Ac C16H22O9 358.126382 NA MeJP NA NA +MJ044692 Brasoside C16H22O9 358.126382 NA MeJP NA NA +MJ044693 Glucitol, 1-O-(4-Hydroxy-3-methoxycinnamoyl) C16H22O9 358.126382 NA MeJP NA NA +MJ044694 Iridolinaroside A C16H22O9 358.126382 NA MeJP NA NA +MJ044695 Isosweroside C16H22O9 358.126382 NA MeJP NA NA +MJ044696 Junipetrioloside A C16H22O9 358.126382 NA MeJP NA NA +MJ044697 Nepetanudoside C; 11-Carboxylic acid C16H22O9 358.126382 NA MeJP NA NA +MJ044698 Sweroside C16H22O9 358.126382 NA MeJP NA NA +MJ044699 Synargentolide D C16H22O9 358.126382 NA MeJP NA NA +MJ044700 Tarennoside C16H22O9 358.126382 NA MeJP NA NA +MJ044701 Ugandoside C16H22O9 358.126382 NA MeJP NA NA +C11654 Tarennoside C16H22O9 358.1264 NA KEGG NA NA +C11672 10-Deoxygeniposidic acid C16H22O9 358.1264 NA KEGG NA NA +C17071 Sweroside C16H22O9 358.1264 NA KEGG NA NA +C13762 202-791 C17H18N4O5 358.1277 NA KEGG NA NA +MJ044702 4-(4-Benzofurazanyl)-1,4-dihydro-2,6-dimethyl-5-nitro-3-pyridinecarboxylic acid, Isopropyl ester C17H18N4O5 358.127719 NA MeJP NA NA +MJ044703 Alstoniline C22H18N2O3 358.131742 NA MeJP NA NA +MJ044704 Dimethoxanate C19H22N2O3S 358.135113 NA MeJP NA NA +3474 ACE inhibitor GDAP 358.1369 ACE inhibitor Inhouse_peptide NA peptide +HMDB01069 2-Phenylaminoadenosine C16H18N6O4 358.138947 NA HMDB2010 NA NA +HMDB01069 2-Phenylaminoadenosine C16H18N6O4 358.13895 http://www.hmdb.ca/metabolites/HMDB01069 HMDB NA NA +HMDB01069 2-Phenylaminoadenosine C16H18N6O4 358.13895 HMDB01069 PFEM_hmdb_metabocards_official NA NA +C05366 (+)-Pinoresinol C20H22O6 358.1416 NA KEGG NA NA +C05367 2-Naphthylamide sulfate C20H22O6 358.1416 NA KEGG NA NA +C05369 Octylamide sulfate C20H22O6 358.1416 NA KEGG NA NA +C08831 Miroestrol C20H22O6 358.1416 NA KEGG NA NA +C09077 Columbin C20H22O6 358.1416 NA KEGG NA NA +C09515 Multiradiatin C20H22O6 358.1416 NA KEGG NA NA +C09516 Multistatin C20H22O6 358.1416 NA KEGG NA NA +C10317 Coleone A C20H22O6 358.1416 NA KEGG NA NA +C10558 Dihydrocubebin C20H22O6 358.1416 NA KEGG NA NA +C10682 Matairesinol C20H22O6 358.1416 NA KEGG NA NA +C17414 Isobutylshikonin C20H22O6 358.1416 NA KEGG NA NA +C17508 Isocolumbin C20H22O6 358.1416 NA KEGG NA NA +C17509 Thymine dimer C20H28N4O15P2 358.1416 NA KEGG NA NA +C17510 Two thymine residues (in DNA) C20H28N4O15P2 358.1416 NA KEGG NA NA +C17808 Clemaphenol A C20H22O6 358.1416 NA KEGG NA NA +FL1CG9NS0005 Pedicellin C20H22O6 358.14163 518-58-1 knapsack NA NA +FL2F1ANI0009 Brosimacutin A C20H22O6 358.14163 350221-43-1 knapsack NA NA +FL2F1ANI0010 Brosimacutin B C20H22O6 358.14163 478493-78-6 knapsack NA NA +FL2FALNM0001 2',4',5,7-Tetramethoxy-8-methylflavanone C20H22O6 358.14163 325744-38-5 knapsack NA NA +FL63ACNI0001 6-Prenylcatechin C20H22O6 358.14163 115532-13-3 knapsack NA NA +FL63ACNI0002 8-Prenylcatechin C20H22O6 358.14163 115532-12-2 knapsack NA NA +FLIB1LNI0002 5-Deoxykievitone hydrate;7,2',4'-Trihydroxy-8-(3-hydroxy-3-methylbutyl)isoflavanone C20H22O6 358.14163 94388-79-1 knapsack NA NA +MJ044705 1,2:15,16-Diepoxy-13(16),14-clerodadiene-17,12:18,19-diolide C20H22O6 358.141638 NA MeJP NA NA +MJ044706 1,2:3,4-Diepoxy-8-hydroxy-9,11(13)-guaiadien-12,6-olide, Tigloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044707 1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(3-Furancarbonyl) C20H22O6 358.141638 NA MeJP NA NA +MJ044708 10,14-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide, 2-Ketone, 8-tigloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044709 15,16-Epoxy-1-hydroxy-2,13(16),14-clerodatriene-17,12:18,19-diolide C20H22O6 358.141638 NA MeJP NA NA +MJ044710 15,16-Epoxy-10-hydroxy-2,7,13(16),14-clerodatetraene-17,12:18,19-diolide, 7,8?-Dihydro C20H22O6 358.141638 NA MeJP NA NA +MJ044711 15,16-Epoxy-10-hydroxy-3,13(16),14-clerodatriene-17,12:18,19-diolide C20H22O6 358.141638 NA MeJP NA NA +MJ044712 15,16-Epoxy-19-hydroxy-3,13(16),14-clerodatriene-19,6:20,12-diolide C20H22O6 358.141638 NA MeJP NA NA +MJ044713 15,16-Epoxy-3,13(16),14-clerodatriene-17,12:18,19-diolide, 2?-Hydroxy C20H22O6 358.141638 NA MeJP NA NA +MJ044714 15,16-Epoxy-3,13(16),14-clerodatriene-17,12:18,19-diolide, 1?-Hydroxy C20H22O6 358.141638 NA MeJP NA NA +MJ044715 15,16-Epoxy-3,13(16),14-clerodatriene-17,12:18,19-diolide, 7?-Hydroxy C20H22O6 358.141638 NA MeJP NA NA +MJ044716 15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide C20H22O6 358.141638 NA MeJP NA NA +MJ044717 15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,6-diolide C20H22O6 358.141638 NA MeJP NA NA +MJ044718 15,16-Epoxy-5,10-seco-1,3,5(19),13(16),14-clerodapentaene-17,18-dioic acid; ent-form C20H22O6 358.141638 NA MeJP NA NA +MJ044719 15,16-Epoxy-6-hydroxy-13(16),14-clerodadiene-18,19:20,12-diolide, 2,3-Didehydro C20H22O6 358.141638 NA MeJP NA NA +MJ044720 15,16-Epoxy-6-hydroxy-2,13(16),14-clerodatriene-17,12:18,19-diolide C20H22O6 358.141638 NA MeJP NA NA +MJ044721 15,16-Epoxy-6-hydroxy-3,13(16),14-clerodatriene-18,19:20,12-diolide C20H22O6 358.141638 NA MeJP NA NA +MJ044722 15,16-Epoxy-8-hydroxy-3,13(16),14-clerodatriene-18,6:20,12-diolide C20H22O6 358.141638 NA MeJP NA NA +MJ044723 19(4?3)-Abeo-1,11-epidioxy-11-hydroxy-14-oxo-8,12-abietadien-19,18-olide C20H22O6 358.141638 NA MeJP NA NA +MJ044724 2',3',4',5',6'-Pentahydroxychalcone; Penta-Me ether C20H22O6 358.141638 NA MeJP NA NA +MJ044725 2',4',5,7-Tetrahydroxy-8-prenylisoflavanone; 5-Deoxy, 2'',3''-dihydro, 3''-hydroxy C20H22O6 358.141638 NA MeJP NA NA +MJ044726 2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 2-Ketone, 8-O-(2,3-epoxy-2-methylbutanoyl) C20H22O6 358.141638 NA MeJP NA NA +MJ044727 2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-2,3-dihydro-6-hydroxy-3-methylbenzofuran, 3',4'-Methylene, 5-Me ether C20H22O6 358.141638 NA MeJP NA NA +MJ044728 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',4'-Methylene, 5-Me ether C20H22O6 358.141638 NA MeJP NA NA +MJ044729 3',4,4',5,7',8'-Hexahydroxy-2,7'-cyclolignan; 3',4'-Methylene, 5-Me ether C20H22O6 358.141638 NA MeJP NA NA +MJ044730 3',4,4',5,9-Pentahydroxy-9,9'-epoxy-2,7'-cyclolignan, 3',5-Di-Me ether C20H22O6 358.141638 NA MeJP NA NA +MJ044731 3'-O-Demethyldenudanolide B; 3'-Me ether C20H22O6 358.141638 NA MeJP NA NA +MJ044732 3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044733 3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Tigloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044734 3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044735 3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Tigloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044736 3,14-Epoxy-8,14-dihydroxy-1,4(15),11(13)-elematrien-12,6-olide, 14-Ketone, 8-angeloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044737 3,3',4',5,7-Pentahydroxy-6-prenylflavan C20H22O6 358.141638 NA MeJP NA NA +MJ044738 3,3',4',5,7-Pentahydroxy-8-prenylflavan C20H22O6 358.141638 NA MeJP NA NA +MJ044739 3,3',4,4',9,9'-Hexahydroxylignan, 3,4:3',4'-Bis(methylene) ether C20H22O6 358.141638 NA MeJP NA NA +MJ044740 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3',4'-Methylene, 3-Me ether C20H22O6 358.141638 NA MeJP NA NA +MJ044741 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,4-Methylene, 3'-Me ether C20H22O6 358.141638 NA MeJP NA NA +MJ044742 3,3',4,4'-Tetrahydroxylignan-9,9'-olide, 3,4-Methylene, 3'-Me ether, 9-alcohol C20H22O6 358.141638 NA MeJP NA NA +MJ044743 3,3',4,4'-Tetrahydroxylignan-9,9'-olide, 4,4'-Di-Me ether C20H22O6 358.141638 NA MeJP NA NA +MJ044744 3,3'-Bi(3,4-dihydro-2H-1-benzopyran-4,6-diol); 4,4'-Di-Me ether C20H22O6 358.141638 NA MeJP NA NA +MJ044745 3,3'-Bi(3,4-dihydro-2H-1-benzopyran-4,6-diol); 6,6'-Di-Me ether C20H22O6 358.141638 NA MeJP NA NA +MJ044746 3,4-Dihydroxy-3',4'-dimethoxy-7,9':7',9-diepoxylignan C20H22O6 358.141638 NA MeJP NA NA +MJ044747 3,4-Epoxy-2,8-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 2-Ketone, 8-tigloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044748 3,8-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Angeloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044749 3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3',5'-Di-Me ether, O-(4-hydroxycinnamoyl)(E-) C20H22O6 358.141638 NA MeJP NA NA +MJ044750 3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3',5'-Di-Me ether, O-(4-hydroxycinnamoyl)(Z-) C20H22O6 358.141638 NA MeJP NA NA +MJ044751 3-(3,4-Dihydroxyphenyl)-1-propanol; 3'-Me ether, 1-O-(4-hydroxy-3-methoxycinnamoyl)(E-) C20H22O6 358.141638 NA MeJP NA NA +MJ044752 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 3-(4-Hydroxy-3-methoxyphenyl)-1-methylpropyl ester C20H22O6 358.141638 NA MeJP NA NA +MJ044753 4'-(2,3-Epoxy-1-hydroxypropyl)-2-hydroxy-5-(3-hydroxy-1-propenyl)-2',3-dimethoxybiphenyl C20H22O6 358.141638 NA MeJP NA NA +MJ044754 4,6:15,16-Diepoxy-2-hydroxy-13(16),14-clerodadiene-18,19:20,12-diolide, 2-Deoxy C20H22O6 358.141638 NA MeJP NA NA +MJ044755 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether C20H22O6 358.141638 NA MeJP NA NA +MJ044756 5,10-Epoxy-8-hydroxy-1-oxo-2,4(15),11(13)-germacratrien-12,6-olide, Angeloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044757 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(2-Methylpropanoyl) C20H22O6 358.141638 NA MeJP NA NA +MJ044758 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 9-Ketone, 6-O-(3-methyl-2-butenoyl) C20H22O6 358.141638 NA MeJP NA NA +MJ044759 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 9-Ketone, 6-angeloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044760 7,20:12,20:15,16-Triepoxy-1,13(16),14-clerodatrien-18,19-olide, 1?,2?-Epoxide C20H22O6 358.141638 NA MeJP NA NA +MJ044761 7,20:12,20:15,16-Triepoxy-1,13(16),14-clerodatrien-18,19-olide, 4-Epimer, 1?,2?-epoxide C20H22O6 358.141638 NA MeJP NA NA +MJ044762 8,14-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Tigloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044763 8,9-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-(3-Methyl-2-butenoyl) C20H22O6 358.141638 NA MeJP NA NA +MJ044764 8,9-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-Angeloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044765 8,9-Dihydroxy-2-oxo-3,10(14),11(13)-guaiatrien-12,6-olide, 8-Tigloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044766 8-(1-Hydroxy-2-oxo-3-methylbutyl)-7-methoxy-2H-1-benzopyran-2-one, O-(3-Methyl-2-butenoyl) C20H22O6 358.141638 NA MeJP NA NA +MJ044767 8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, O-(2,5-Dihydro-5-hydroxy-3-furancarbonyl) C20H22O6 358.141638 NA MeJP NA NA +MJ044768 8-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,2-diolide, 3-Methyl-2-butenoyl C20H22O6 358.141638 NA MeJP NA NA +MJ044769 8-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,2-diolide, Angeloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044770 8-Hydroxy-1(10),4,11(13)-germacratriene-12,6;14,9-diolide, 8-Angeloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044771 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, O-(2,3-Epoxy-2-methylbutanoyl) C20H22O6 358.141638 NA MeJP NA NA +MJ044772 8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(4,5-Dihydro-2-oxo-3H-furan-4-carbonyl) C20H22O6 358.141638 NA MeJP NA NA +MJ044773 8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-(2,5-Dihydro-5-hydroxy-3-furancarbonyl) C20H22O6 358.141638 NA MeJP NA NA +MJ044774 9-Hydroxy-3,11(13)-elemadiene-12,8;15,6-diolide, Tigloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044775 Antibiotic 55B C20H22O6 358.141638 NA MeJP NA NA +MJ044776 Antibiotic X 14881B; 4?-Hydroxy C20H22O6 358.141638 NA MeJP NA NA +MJ044777 Arnottinin; ?3',5'-Isomer, 1'R*,2'R*-epoxide, 7-Me ether, 4'-O-(3-methylbutanoyl) C20H22O6 358.141638 NA MeJP NA NA +MJ044778 Baenzigeride A C20H22O6 358.141638 NA MeJP NA NA +MJ044779 Bartemidiolide C20H22O6 358.141638 NA MeJP NA NA +MJ044780 Cneorumchromone Q C20H22O6 358.141638 NA MeJP NA NA +MJ044781 Coleon A C20H22O6 358.141638 NA MeJP NA NA +MJ044782 Decursidinol, 3'-Angeloyl, 4'-O-Me C20H22O6 358.141638 NA MeJP NA NA +MJ044783 Excavatin D, 8-Methoxy, 6',7'-dihydro C20H22O6 358.141638 NA MeJP NA NA +MJ044784 Ferrearin B; 2-Epimer, 3'-methoxy C20H22O6 358.141638 NA MeJP NA NA +MJ044785 Ferrearin B; 3'-Methoxy C20H22O6 358.141638 NA MeJP NA NA +MJ044786 Guayarol C20H22O6 358.141638 NA MeJP NA NA +MJ044787 Hamaudol, 3-(3-Methyl-2-butenoyl) C20H22O6 358.141638 NA MeJP NA NA +MJ044788 Hamaudol, 3-Angeloyl C20H22O6 358.141638 NA MeJP NA NA +MJ044789 Isochiliolide lactone; 7?,8?-Epoxy C20H22O6 358.141638 NA MeJP NA NA +MJ044790 Isochiliolide lactone; 8,17-Didehydro, 7?-hydroxy C20H22O6 358.141638 NA MeJP NA NA +MJ044791 Isomiroestrol C20H22O6 358.141638 NA MeJP NA NA +MJ044792 Jamesoniellide E C20H22O6 358.141638 NA MeJP NA NA +MJ044793 Jamesoniellide I C20H22O6 358.141638 NA MeJP NA NA +MJ044794 Licoriphenone; 4-O-De-Me C20H22O6 358.141638 NA MeJP NA NA +MJ044795 Margicassidin C20H22O6 358.141638 NA MeJP NA NA +MJ044796 Marshalliachromone; 5'-O-(2-Methylbutanoyl) C20H22O6 358.141638 NA MeJP NA NA +MJ044797 Marshalliachromone; 5'-O-(3-Methylbutanoyl) C20H22O6 358.141638 NA MeJP NA NA +MJ044798 Matairesinol C20H22O6 358.141638 NA MeJP NA NA +MJ044799 Miroestrol C20H22O6 358.141638 NA MeJP NA NA +MJ044800 Monankarin A C20H22O6 358.141638 NA MeJP NA NA +MJ044801 Monankarin F C20H22O6 358.141638 NA MeJP NA NA +MJ044802 Murrangatin, 3',4'-Dihydro, 1'-ketone, 2'-O-(3-methyl-2-butenoyl) C20H22O6 358.141638 NA MeJP NA NA +MJ044803 Myrocin B C20H22O6 358.141638 NA MeJP NA NA +MJ044804 Pinoresinol C20H22O6 358.141638 NA MeJP NA NA +MJ044805 Plectrinone A C20H22O6 358.141638 NA MeJP NA NA +MJ044806 Pygmaeocin A C20H22O6 358.141638 NA MeJP NA NA +MJ044807 Salvipalolide C20H22O6 358.141638 NA MeJP NA NA +MJ044808 Securigran I C20H22O6 358.141638 NA MeJP NA NA +MJ044809 Securigran V C20H22O6 358.141638 NA MeJP NA NA +MJ044810 Teuvincenone A C20H22O6 358.141638 NA MeJP NA NA +MJ044811 Triptolide; 14-Ketone C20H22O6 358.141638 NA MeJP NA NA +MJ044812 6-Gingesulfonic acid C17H26O6S 358.145009 NA MeJP NA NA +PJ000504 PNE C14H22N4O7 358.1489 NA PeJP NA NA +8042 synthetic peptide PWG 358.152 antioxidative Inhouse_peptide NA peptide +MJ044813 Gelsemoxonine C19H22N2O5 358.152871 NA MeJP NA NA +C01675 Cilastatin C16H26N2O5S 358.1562 NA KEGG NA NA +MJ044814 Cilastatin C16H26N2O5S 358.156242 NA MeJP NA NA +PJ000505 GPW C18H22N4O4 358.1641 NA PeJP NA NA +MJ044815 3-[[4-[[4-(Aminoiminomethyl)phenyl]amino]-1,4-dioxobutyl]amino]-4-pentynoic acid, Et ester C18H22N4O4 358.164105 NA MeJP NA NA +MJ044816 Tribendilol C18H22N4O4 358.164105 NA MeJP NA NA +MJ044817 Phyllocryptonine C20H24NO5 358.165447 NA MeJP NA NA +C07370 Prednisone C21H26O5 358.178 NA KEGG NA NA +C11053 9,10-Dihydrokadsurenone C21H26O5 358.178 NA KEGG NA NA +HMDB05798 Malabaricone C C21H26O5 358.178009 NA HMDB2010 NA NA +HMDB05798 Malabaricone C C21H26O5 358.17801 http://www.hmdb.ca/metabolites/HMDB05798 HMDB NA NA +HMDB05798 Malabaricone C C21H26O5 358.17801 HMDB05798 PFEM_hmdb_metabocards_official NA NA +MJ044818 1,3,5,7(14),10-Bisabolapentaene-1,2,4,8-tetrol; 1,4-Quinone, 2-Me ether, 8-angeloyl C21H26O5 358.178023 NA MeJP NA NA +MJ044819 11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; enol-form, 15,16-Didehydro, 12-Me ether C21H26O5 358.178023 NA MeJP NA NA +MJ044820 12,17-Epoxy-17-hydroxystrictic acid, Me ether C21H26O5 358.178023 NA MeJP NA NA +MJ044821 15,16-Epoxy-2,19-dioxo-3,13(16),14-clerodatrien-20-oic acid; ent-form, Me ester C21H26O5 358.178023 NA MeJP NA NA +MJ044822 15,16-Epoxy-20-hydroxy-12-oxo-8(17),13(16),14-labdatrien-19-oic acid; 20-Aldehyde, Me ester C21H26O5 358.178023 NA MeJP NA NA +MJ044823 15,16-Epoxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, Me ester C21H26O5 358.178023 NA MeJP NA NA +MJ044824 15,16-Epoxy-3,13(16),14-clerodatrien-20,12-olid-18-oic acid, Me ester C21H26O5 358.178023 NA MeJP NA NA +MJ044825 15,16-Epoxy-5(10),13(16),14-halimatrien-20,12-olid-19-oic acid, Me ester C21H26O5 358.178023 NA MeJP NA NA +MJ044826 2,3,4-Trihydroxy-20-oxopregna-5,16-dien-19-oic acid, 19?2 Lactone C21H26O5 358.178023 NA MeJP NA NA +MJ044827 2,4-Dihydroxy-6-pentylbenzoic acid; 3-Hydroxy-5-propylphenyl ester C21H26O5 358.178023 NA MeJP NA NA +MJ044828 2,4-Dihydroxy-6-propylbenzoic acid; 3-Hydroxy-5-pentylphenyl ester C21H26O5 358.178023 NA MeJP NA NA +MJ044829 2,4-Dihydroxy-6-propylbenzoic acid; 4-Me ether, 3-methoxy-5-propylphenyl ester C21H26O5 358.178023 NA MeJP NA NA +MJ044830 3,18-Cyclo-6,11,12,14-tetrahydroxy-5,8,11,13-abietatetraen-7-one; 12-Me ether C21H26O5 358.178023 NA MeJP NA NA +MJ044831 3,3',4,4',7-Pentahydroxylignan, 3',4'-Methylene, 3,4-di-Me ether C21H26O5 358.178023 NA MeJP NA NA +MJ044832 3,3',4,4',7-Pentahydroxylignan, 3,4-Methylene, 3',4'-di-Me ether C21H26O5 358.178023 NA MeJP NA NA +MJ044833 3,4,5',7-Tetrahydroxy-8,3'-oxyneolign-7'-ene, 3,4,5'-Tri-Me ether C21H26O5 358.178023 NA MeJP NA NA +MJ044834 4-(3,4-Dimethoxyphenyl)-4-(3,4-methylenedioxyphenyl)-2,3-dimethyl-1-butanol C21H26O5 358.178023 NA MeJP NA NA +MJ044835 4-Hydroxy-3,3',4-trimethoxy-7,7'-epoxylignan C21H26O5 358.178023 NA MeJP NA NA +MJ044836 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 7-O-(3,7-Dimethyl-2,6-octadienyl), 5,6-di-Me ether C21H26O5 358.178023 NA MeJP NA NA +MJ044837 6-Hydroxyfuranoeremophil-1(10)-en-9-one, 1?,10?-Epoxide, O-(3-methyl-2-pentenoyl) C21H26O5 358.178023 NA MeJP NA NA +MJ044838 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(7-Methoxy-3,7-dimethyl-2,5-octadienyl), 8-Me ether C21H26O5 358.178023 NA MeJP NA NA +MJ044839 7,9-Dihydroxy-3,3',4,4'-tetramethoxy-(8?9')-neolign-7'-ene, 3'-Demethoxy C21H26O5 358.178023 NA MeJP NA NA +MJ044840 7,9-Dihydroxy-3,3',4,4'-tetramethoxy-(8?9')-neolign-7'-ene, 3-Demethoxy C21H26O5 358.178023 NA MeJP NA NA +MJ044841 7,9-Dihydroxy-3,3',4,4'-tetramethoxy-(8?9')-neolign-7'-ene, 3'-Demethoxy C21H26O5 358.178023 NA MeJP NA NA +MJ044842 7,9-Dihydroxy-3,3',4,4'-tetramethoxy-(8?9')-neolign-7'-ene, 3-Demethoxy C21H26O5 358.178023 NA MeJP NA NA +MJ044843 Avicennic acid C21H26O5 358.178023 NA MeJP NA NA +MJ044844 Brialmontin 2 C21H26O5 358.178023 NA MeJP NA NA +MJ044845 Carinatol C21H26O5 358.178023 NA MeJP NA NA +MJ044846 Cochleamycin B C21H26O5 358.178023 NA MeJP NA NA +MJ044847 Cyrtophyllone A C21H26O5 358.178023 NA MeJP NA NA +MJ044848 Deacetylshikonofuran A; 11-O-(2-Methylbutanoyl) C21H26O5 358.178023 NA MeJP NA NA +MJ044849 Deacetylshikonofuran A; 11-O-(3-Methylbutanoyl) C21H26O5 358.178023 NA MeJP NA NA +MJ044850 Eriostemoic acid; Me ester C21H26O5 358.178023 NA MeJP NA NA +MJ044851 Helinudichromene quinone C21H26O5 358.178023 NA MeJP NA NA +MJ044852 Kadsurenin I C21H26O5 358.178023 NA MeJP NA NA +MJ044853 Lancifolin A C21H26O5 358.178023 NA MeJP NA NA +MJ044854 Luteorosin C21H26O5 358.178023 NA MeJP NA NA +MJ044855 Macfarlandin A C21H26O5 358.178023 NA MeJP NA NA +MJ044856 Malabaricone A; 3',4'-Dihydroxy C21H26O5 358.178023 NA MeJP NA NA +MJ044857 Mammea B/AC C21H26O5 358.178023 NA MeJP NA NA +MJ044858 Mammea B/AD C21H26O5 358.178023 NA MeJP NA NA +MJ044859 Mammea B/BD C21H26O5 358.178023 NA MeJP NA NA +MJ044860 Monascin C21H26O5 358.178023 NA MeJP NA NA +MJ044861 Myricanol C21H26O5 358.178023 NA MeJP NA NA +MJ044862 Normammein C21H26O5 358.178023 NA MeJP NA NA +MJ044863 Perforaquassin C; 1-Ketone, 2,3-didehydro C21H26O5 358.178023 NA MeJP NA NA +MJ044864 Piperulin A; Stereoisomer, O-de-Ac C21H26O5 358.178023 NA MeJP NA NA +MJ044865 Pitholide C; 7'-Deoxy C21H26O5 358.178023 NA MeJP NA NA +MJ044866 Porosin C21H26O5 358.178023 NA MeJP NA NA +MJ044867 Prednisone C21H26O5 358.178023 NA MeJP NA NA +MJ044868 Strobilurin A; 3'-Hydroxy, 4'-(3-methyl-2-butenyloxy) C21H26O5 358.178023 NA MeJP NA NA +MJ044869 Virolin C21H26O5 358.178023 NA MeJP NA NA +3064 NA VEPIPY 358.1805 MH2+ Inhouse_peptide NA peptide +MJ044870 Antibiotic SF 2448; Antibiotic SF 2448A C15H26N4O6 358.185234 NA MeJP NA NA +PJ000506 PDK C15H26N4O6 358.1853 NA PeJP NA NA +MJ044871 Binospirone C20H26N2O4 358.189257 NA MeJP NA NA +MJ044872 Gelsedine; 11-Methoxy C20H26N2O4 358.189257 NA MeJP NA NA +MJ044873 Gelselegine C20H26N2O4 358.189257 NA MeJP NA NA +MJ044874 Humantenirine; 11-Demethoxy, 19,20-dihydro, 20R-hydroxy C20H26N2O4 358.189257 NA MeJP NA NA +MJ044875 Itopride C20H26N2O4 358.189257 NA MeJP NA NA +MJ044876 Ronactolol C20H26N2O4 358.189257 NA MeJP NA NA +C09203 Gelsemicine C20H26N2O4 358.1893 NA KEGG NA NA +MJ044877 16-Chloro-15-hydroxy-3-nor-4-oxo-2,3-seco-2-dolabranoic acid C19H31ClO4 358.191087 NA MeJP NA NA +C14959 Estra-1,3,5(10),16-tetraen-3-ol benzoate C25H26O2 358.1933 NA KEGG NA NA +PJ000507 SPR C14H26N6O5 358.1965 NA PeJP NA NA +MJ044878 2-Bornanol, O-(6-O-Acetyl-?-D-glucopyranoside) C18H30O7 358.199153 NA MeJP NA NA +MJ044879 3,7-Dimethyl-1,6-octadien-3-ol, O-(2-O-Acetyl-?-D-glucopyranoside) C18H30O7 358.199153 NA MeJP NA NA +MJ044880 Antibiotic SEN 366D1; 2,3-Dihydro C18H30O7 358.199153 NA MeJP NA NA +MJ044881 Belarizine C24H26N2O 358.204513 NA MeJP NA NA +MJ044882 Amisopirol C21H27FN2O2 358.205656 NA MeJP NA NA +MJ044883 Bengamide Z; 6-Deoxy, N-De-Me C17H30N2O6 358.210386 NA MeJP NA NA +C10784 Cannabidiolic acid C22H30O4 358.2144 NA KEGG NA NA +C14974 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol C22H30O4 358.2144 NA KEGG NA NA +C15009 17beta-Hydroxyandrost-4-ene-3,11-dione propionate C22H30O4 358.2144 NA KEGG NA NA +MJ044884 1(10),4-Germacradiene-6,8-diol, 8-(4-Hydroxybenzoyl) C22H30O4 358.214409 NA MeJP NA NA +MJ044885 12-Hydroxy-16-methoxypregna-4,6-diene-3,20-dione C22H30O4 358.214409 NA MeJP NA NA +MJ044886 13-Hydroxy-1(19),6,10,14-xenicatetraen-17,18-olide; Ac C22H30O4 358.214409 NA MeJP NA NA +MJ044887 14(17)-Vouacapene-6,7-diol, 7-Ac C22H30O4 358.214409 NA MeJP NA NA +MJ044888 15,16-Epoxy-17-hydroxy-12-isocleistanthen-11-one; Ac C22H30O4 358.214409 NA MeJP NA NA +MJ044889 15,16-Epoxy-20-hydroxy-3,13(16),14-clerodatrien-2-one; ent-form, Ac C22H30O4 358.214409 NA MeJP NA NA +MJ044890 15,16-Epoxy-3-hydroxy-8,13(16),14-labdatrien-7-one, Ac C22H30O4 358.214409 NA MeJP NA NA +MJ044891 15,16-Epoxy-8(17),13(16),14-labdatriene-7,18-diol, 18-Aldehyde, 7-Ac C22H30O4 358.214409 NA MeJP NA NA +MJ044892 18-Hydroxy-3,7,11,15(17)-cembratetraen-16,14-olide, Ac C22H30O4 358.214409 NA MeJP NA NA +MJ044893 2,3-Dihydro-2-(1-hydroxy-1,5-dimethyl-4-hexenyl)-7-(3-methyl-2-butenyl)-5-benzofurancarboxylic acid C22H30O4 358.214409 NA MeJP NA NA +MJ044894 2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone; 8',9',11',12',14',15'-Hexadehydro(Z-Z-), 5-Me ether C22H30O4 358.214409 NA MeJP NA NA +MJ044895 2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone; 8',9',11',12',14',15'-Hexadehydro(all-Z), 5-Me ether C22H30O4 358.214409 NA MeJP NA NA +MJ044896 2,6-Humuladiene-1,4-diol, 4-(4-Hydroxybenzoyl) C22H30O4 358.214409 NA MeJP NA NA +MJ044897 2-Hydroxy-10-oxo-4,10-seco-4,13(15),17-spatatrien-12-al, Ac C22H30O4 358.214409 NA MeJP NA NA +MJ044898 3,4-Dihydro-3-hydroxy-2-methyl-8-(3-methyl-2-butenyl)-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-6-carboxylic acid C22H30O4 358.214409 NA MeJP NA NA +MJ044899 3,7,11,15(17)-Cembratetraen-16,2-olid-19-oic acid, 19-Alcohol, 19-Ac C22H30O4 358.214409 NA MeJP NA NA +MJ044900 3-Hydroxy-9(11),16-kauradien-19-oic acid, Ac C22H30O4 358.214409 NA MeJP NA NA +MJ044901 4,6-Germacradiene-8,10-diol; 8-(4-Hydroxybenzoyl) C22H30O4 358.214409 NA MeJP NA NA +MJ044902 5-Hydroxy-10-oxo-4,10-seco-2,13(15),17-spatatrien-12-al, Ac C22H30O4 358.214409 NA MeJP NA NA +MJ044903 6,11-Dihydroxy-16-kauren-15-one, 11-Ketone, 6-Ac C22H30O4 358.214409 NA MeJP NA NA +MJ044904 6-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-2,6,8-trimethyl-2H-1-benzopyran-5,7(3H,6H)-dione C22H30O4 358.214409 NA MeJP NA NA +MJ044905 6-Hydroxy-3,7,11,15(17)-cembratetraen-16,2-olide, Ac C22H30O4 358.214409 NA MeJP NA NA +MJ044906 7,18:11,12-Diepoxy-5,7,17-briaratriene-4,14-diol; 4-Deoxy, 14-Ac C22H30O4 358.214409 NA MeJP NA NA +MJ044907 8-(3,7-Dimethyl-2,6-octadienyl)-5-hydroxy-2,6,8-trimethyl-2H-1-benzopyran-4,7(3H,8H)-dione C22H30O4 358.214409 NA MeJP NA NA +MJ044908 8-Daucene-4,6-diol, 6-(2-Hydroxybenzoyl) C22H30O4 358.214409 NA MeJP NA NA +MJ044909 8-Daucene-4,6-diol, 6-(4-Hydroxybenzoyl) C22H30O4 358.214409 NA MeJP NA NA +MJ044910 8-Daucene-4,6-diol, O-(4-Hydroxybenzoyl) C22H30O4 358.214409 NA MeJP NA NA +MJ044911 9,11-Epoxy-1-hydroxy-16-kauren-15-one, Ac C22H30O4 358.214409 NA MeJP NA NA +MJ044912 9-Hydroxy-3,7,11,15(17)-cembratetraen-16,2-olide, Ac C22H30O4 358.214409 NA MeJP NA NA +MJ044913 ?1(6)-Tetrahydrocannabinolic acid A C22H30O4 358.214409 NA MeJP NA NA +MJ044914 ?1-Tetrahydrocannabinolic acid A C22H30O4 358.214409 NA MeJP NA NA +MJ044915 ?1-Tetrahydrocannabinolic acid B C22H30O4 358.214409 NA MeJP NA NA +MJ044916 Antibiotic BE 40644 C22H30O4 358.214409 NA MeJP NA NA +MJ044917 Arenarol; Quinone, 19-methoxy, 21-hydroxy C22H30O4 358.214409 NA MeJP NA NA +MJ044918 Avarol; 2',5'-Quinone, 6'-hydroxy, 4'-methoxy C22H30O4 358.214409 NA MeJP NA NA +MJ044919 Bolinaquinone C22H30O4 358.214409 NA MeJP NA NA +MJ044920 Cannabichromenic acid C22H30O4 358.214409 NA MeJP NA NA +MJ044921 Cannabicyclolic acid C22H30O4 358.214409 NA MeJP NA NA +MJ044922 Cannabidiolic acid C22H30O4 358.214409 NA MeJP NA NA +MJ044923 Canrenoic acid C22H30O4 358.214409 NA MeJP NA NA +MJ044924 Capucinoic acid B C22H30O4 358.214409 NA MeJP NA NA +MJ044925 Cyclospongiaquinone 1 C22H30O4 358.214409 NA MeJP NA NA +MJ044926 Cyclospongiaquinone 2 C22H30O4 358.214409 NA MeJP NA NA +MJ044927 Cystomexicone A C22H30O4 358.214409 NA MeJP NA NA +MJ044928 Dictyoceratidaquinone C22H30O4 358.214409 NA MeJP NA NA +MJ044929 Heyderiol C22H30O4 358.214409 NA MeJP NA NA +MJ044930 Hyatellaquinone C22H30O4 358.214409 NA MeJP NA NA +MJ044931 Ialibinone C C22H30O4 358.214409 NA MeJP NA NA +MJ044932 Ilimaquinone C22H30O4 358.214409 NA MeJP NA NA +MJ044933 Isometachromin C22H30O4 358.214409 NA MeJP NA NA +MJ044934 Isospongiaquinone C22H30O4 358.214409 NA MeJP NA NA +MJ044935 Kuhistanol D C22H30O4 358.214409 NA MeJP NA NA +MJ044936 Libocedrol C22H30O4 358.214409 NA MeJP NA NA +MJ044937 Mamanuthaquinone C22H30O4 358.214409 NA MeJP NA NA +MJ044938 Marginatone; 20-Acetoxy C22H30O4 358.214409 NA MeJP NA NA +MJ044939 Mediterraneone C22H30O4 358.214409 NA MeJP NA NA +MJ044940 Metachromin A C22H30O4 358.214409 NA MeJP NA NA +MJ044941 Metachromin C C22H30O4 358.214409 NA MeJP NA NA +MJ044942 Palbinone C22H30O4 358.214409 NA MeJP NA NA +MJ044943 Piperoic acid C22H30O4 358.214409 NA MeJP NA NA +MJ044944 Polycerasoidol C22H30O4 358.214409 NA MeJP NA NA +MJ044945 Shikoccin; 3-Deacetoxy, 7-Ac C22H30O4 358.214409 NA MeJP NA NA +MJ044946 Siccanochromene D; Carboxylic acid C22H30O4 358.214409 NA MeJP NA NA +MJ044947 Siphonodictyal B C22H30O4 358.214409 NA MeJP NA NA +MJ044948 Siphonodictyal C C22H30O4 358.214409 NA MeJP NA NA +MJ044949 Siphonodictyoic acid C22H30O4 358.214409 NA MeJP NA NA +MJ044950 Smenoqualone C22H30O4 358.214409 NA MeJP NA NA +MJ044951 Spongiaquinone C22H30O4 358.214409 NA MeJP NA NA +MJ044952 Tauranin C22H30O4 358.214409 NA MeJP NA NA +MJ044953 Tridachiapyrone G C22H30O4 358.214409 NA MeJP NA NA +MJ044954 Tridachione C22H30O4 358.214409 NA MeJP NA NA +MJ044955 Turriculoic acid D; 14'-Alcohol C22H30O4 358.214409 NA MeJP NA NA +MJ044956 Xenovulene A C22H30O4 358.214409 NA MeJP NA NA +MetaCyc03177 cannabichromenic acid [5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-chromene-6-carboxylic acid;CBCA;] C22H30O4 358.214409 NA metacyc NA NA +MetaCyc03178 cannabidiolic acid [3-p-mentha-1,8-dien-3-yl-6-pentyl-beta-resorcylic acid;CBDA;] C22H30O4 358.214409 NA metacyc NA NA +MetaCyc03179 Δ9-tetrahydrocannabinolic acid [1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylic acid;THCA;] C22H30O4 358.214409 NA metacyc NA NA +PJ000508 VLQ C16H30N4O5 358.2216 NA PeJP NA NA +3547 ACE inhibitor IRA 358.222 ACE inhibitor Inhouse_peptide NA peptide +MJ044957 16,17-Dihydrosecodin-17-ol; 15,20-Dihydro C21H30N2O3 358.225642 NA MeJP NA NA +MJ044958 Ochropposinine C21H30N2O3 358.225642 NA MeJP NA NA +MJ044959 15-Chloro-8-labdene-3,13,14-triol C20H35ClO3 358.227472 NA MeJP NA NA +PJ000509 ALR C15H30N6O4 358.2329 NA PeJP NA NA +MJ044960 6,6'-Methylenebis[1,2-dihydro-2,2,4-trimethylquinoline] C25H30N2 358.240898 NA MeJP NA NA +8103 peptide derived from dried bonito VKL 358.246 antioxidative Inhouse_peptide NA peptide +8133 peptide derived from dried bonito KVI 358.246 stimulating Inhouse_peptide NA peptide +MJ044961 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-(2-Methylpropanoyl) C23H34O3 358.250794 NA MeJP NA NA +MJ044962 3-Hydroxypregn-17(20)-en-16-one, Ac C23H34O3 358.250794 NA MeJP NA NA +MJ044963 3-Hydroxypregn-5-en-20-one, Ac C23H34O3 358.250794 NA MeJP NA NA +MJ044964 Phellinic acid C23H34O3 358.250794 NA MeJP NA NA +MJ044965 Pregna-5,20-diene-3,7-diol, 7-Ac C23H34O3 358.250794 NA MeJP NA NA +MJ044966 Pregna-5,20-diene-3,7-diol, 3-Ac C23H34O3 358.250794 NA MeJP NA NA +C14658 Pregnenolone acetate C23H34O3 358.2508 NA KEGG NA NA +C14931 16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol C23H34O3 358.2508 NA KEGG NA NA +C15115 11beta-Hydroxy-6alpha,11-dimethylpregn-4-ene-3,20-dione C23H34O3 358.2508 NA KEGG NA NA +C15266 17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate C23H34O3 358.2508 NA KEGG NA NA +C15374 17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate C23H34O3 358.2508 NA KEGG NA NA +PJ000510 VLK C17H34N4O4 358.258 NA PeJP NA NA +C15106 3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime C22H34N2O2 358.262 NA KEGG NA NA +MJ044967 Ipenoxazone C22H34N2O2 358.262028 NA MeJP NA NA +MJ044968 Kalihinene; 10-Formamide C22H34N2O2 358.262028 NA MeJP NA NA +MJ044969 Kalihinene; 15-Formamide C22H34N2O2 358.262028 NA MeJP NA NA +HMDB05076 13,14-Dihydro PGF-1alpha C20H38O5 358.27191 http://www.hmdb.ca/metabolites/HMDB05076 HMDB NA NA +HMDB05076 13,14-Dihydro PGF-1alpha C20H38O5 358.27191 HMDB05076 PFEM_hmdb_metabocards_official NA NA +HMDB05076 13,14-Dihydro PGF-1a C20H38O5 358.271912 NA HMDB2010 NA NA +MJ044970 1-(4-Hydroxyphenyl)-5-octadecanone; 13,14-Didehydro (Z)- C24H38O2 358.28718 NA MeJP NA NA +MJ044971 1-Phenyl-1,3-octadecanedione C24H38O2 358.28718 NA MeJP NA NA +MJ044972 12-Hydroxy-25-nor-16-scalaren-24-al; 12?-form C24H38O2 358.28718 NA MeJP NA NA +MJ044973 12-Hydroxy-25-nor-17-scalaren-24-al; 12?-form C24H38O2 358.28718 NA MeJP NA NA +MJ044974 19-Nor-15-prenyl-8,13,15-labdatrien-18-oic acid C24H38O2 358.28718 NA MeJP NA NA +MJ044975 3-Hydroxy-4,4,14-trimethylpregn-8-en-20-one C24H38O2 358.28718 NA MeJP NA NA +MJ044976 6,9,12,15,18-Tetracosapentaenoic acid C24H38O2 358.28718 NA MeJP NA NA +MJ044977 9,12,15,18,21-Tetracosapentaenoic acid C24H38O2 358.28718 NA MeJP NA NA +MJ044978 Hollongdione C24H38O2 358.28718 NA MeJP NA NA +MJ044979 Conarrhimine; N3,N3-Di-Me, N23-hydroxy C23H38N2O 358.298413 NA MeJP NA NA +MJ044980 Cribrochalinamine oxide B C23H38N2O 358.298413 NA MeJP NA NA +MJ044981 Holarrhenine; N3-De-Me C23H38N2O 358.298413 NA MeJP NA NA +MJ044982 Antibiotic AKD 2; Antibiotic AKD 2A C21H42O4 358.308309 NA MeJP NA NA +MJ044983 Glycerol 1-alkanoates; Glycerol 1-octadecanoate C21H42O4 358.308309 NA MeJP NA NA +HMDB11131 MG(18:0/0:0/0:0) C21H42O4 358.308319 NA HMDB2010 NA NA +HMDB11535 MG(0:0/18:0/0:0) C21H42O4 358.308319 NA HMDB2010 NA NA +MJ044984 2-(1,12-Heneicosadienyl)furan C25H42O 358.323565 NA MeJP NA NA +MJ044985 3,7,11,15,19-Pentamethyl-1,6,10,14,18-eicosapentaen-3-ol C25H42O 358.323565 NA MeJP NA NA +MJ044986 3-Nonadecylphenol; 7',8'-Didehydro(Z-) C25H42O 358.323565 NA MeJP NA NA +MJ044987 7,18-Ophioboladien-3-ol; 3?-form C25H42O 358.323565 NA MeJP NA NA +MJ044988 Floridenol C25H42O 358.323565 NA MeJP NA NA +MJ044989 Geranylfarnesol C25H42O 358.323565 NA MeJP NA NA +MJ044990 Moenocinol C25H42O 358.323565 NA MeJP NA NA +C16818 Ophiobolin F C25H42O 358.3236 NA KEGG NA NA +MJ044991 Conessine; 3-Epimer, 5?,6-dihydro C24H42N2 358.334799 NA MeJP NA NA +MJ044992 Conessine; 5?,6-Dihydro C24H42N2 358.334799 NA MeJP NA NA +MJ044993 Cycloprotobuxine I C24H42N2 358.334799 NA MeJP NA NA +MJ044994 Feclemine C24H42N2 358.334799 NA MeJP NA NA +MJ044995 Pregn-5-ene-3,20-diamine, N3,N20,N20-Tri-Me C24H42N2 358.334799 NA MeJP NA NA +MJ044996 3-[(15-Methyloctadecyl)oxy]-1,2-propanediol C22H46O3 358.344695 NA MeJP NA NA +MJ044997 Signatipennine C21H46N2O2 358.355928 NA MeJP NA NA +MJ044998 Secohopane III C26H46 358.359951 NA MeJP NA NA +3279 NA ACRGDGWCG 358.65345 MH2+ Inhouse_peptide NA peptide +MJ044999 3,4,5-Tribromo-1H-pyrrole-2-carboxylic acid; N-Me C6H4Br3NO2 358.779216 NA MeJP NA NA +C07765 Methyclothiazide C9H11Cl2N3O4S2 358.9568 NA KEGG NA NA +MJ045000 Methyclothiazide C9H11Cl2N3O4S2 358.956802 NA MeJP NA NA +C11070 MC-7181 C14H8Cl2FNO5 358.9764 NA KEGG NA NA +MJ045001 Manzacidin B C12H14BrN3O5 359.011683 NA MeJP NA NA +MJ045002 Barettin C16H14BrN3O2 359.026939 NA MeJP NA NA +C13830 BMS 204352 C16H10ClF4NO2 359.0336 NA KEGG NA NA +MJ045003 3-(5-Chloro-2-methoxyphenyl)-3-fluoro-1,3-dihydro-6-(trifluoromethyl)-2H-indol-2-one C16H10ClF4NO2 359.033619 NA MeJP NA NA +MJ045004 2-Propenyl glucosinolate C10H17NO9S2 359.034472 NA MeJP NA NA +MetaCyc03180 2-propenyl-glucosinolate [sinigrin;] C10H17N1O9S2 359.034473 NA metacyc NA NA +C08427 Sinigrin C10H17NO9S2 359.0345 NA KEGG NA NA +C11219 Imazalil nitrate C14H14Cl2N2O 359.044 NA KEGG NA NA +MJ045005 Tiazuril C17H14ClN3O2S 359.049525 NA MeJP NA NA +MJ045006 Uldazepam C18H15Cl2N3O 359.059217 NA MeJP NA NA +MJ045007 N2-(4-Bromo-1H-pyrrole-2-carbonyl)homoarginine C12H18BrN5O3 359.059302 NA MeJP NA NA +CJpos0770 3-indole carboxylic acid glucuronide [(M+Na)]+ C15H15NNaO8 359.061175 C18rt(min)=6.2 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0770 3-indole carboxylic acid glucuronide [(M+Na)]+ C15H15NNaO8 359.061175 C18rt(min)=6.2 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ045008 Tazasubrate C18H17NO3S2 359.064984 NA MeJP NA NA +MJ045009 6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-imidazo[2,1-b][1,3]oxazine C14H12F3N3O5 359.072905 NA MeJP NA NA +C08342 Triglochinin C14H17NO10 359.0852 NA KEGG NA NA +C18062 TRIBOA-glucoside C14H17NO10 359.0852 NA KEGG NA NA +MJ045010 Triglochinin C14H17NO10 359.085245 NA MeJP NA NA +MJ045011 Arcyriarubin A; 6',6''-Dihydroxy C20H13N3O4 359.090605 NA MeJP NA NA +MJ045012 Violacein; 5-Hydroxy C20H13N3O4 359.090605 NA MeJP NA NA +MJ045013 Gravacridonechlorine C19H18ClNO4 359.092435 NA MeJP NA NA +MJ045014 Isogravacridonechlorine C19H18ClNO4 359.092435 NA MeJP NA NA +MJ045015 Nuciferine, 3-Chloro, O2,N-dide-Me, N-methoxycarbonyl C19H18ClNO4 359.092435 NA MeJP NA NA +MJ045016 2-Amino-4,5-dihydroxybenzoic acid; 4-Me ether, N-(4-hydroxy-3-methoxy-E-cinnamoyl) C18H17NO7 359.100501 NA MeJP NA NA +MJ045017 Clovamide C18H17NO7 359.100501 NA MeJP NA NA +C11694 Quinoline-3-carboxamides C21H14FN3O2 359.107 NA KEGG NA NA +MJ045018 [[[2-[1,1'-Biphenyl]-4-yl-1-(1H-tetrazol-5-yl)ethyl]amino]methyl]phosphonic acid C16H18N5O3P 359.114725 NA MeJP NA NA +C05557 Isopenicillin N C14H21N3O6S 359.1151 NA KEGG NA NA +C06564 Penicillin N C14H21N3O6S 359.1151 NA KEGG NA NA +MJ045019 Isopenicillin N C14H21N3O6S 359.115106 NA MeJP NA NA +MJ045020 Penicillin N C14H21N3O6S 359.115106 NA MeJP NA NA +MetaCyc03181 penicillin N [] C14H21N3O6S1 359.115106 NA metacyc NA NA +MetaCyc03182 isopenicillin N [] C14H21N3O6S1 359.115106 NA metacyc NA NA +MJ045021 Crinasiatine C22H17NO4 359.115758 NA MeJP NA NA +C10584 Crinasiatine C22H17NO4 359.1158 NA KEGG NA NA +CJpos0771 Hippuric acid [(2M+H)]+ (13C) C1713CH19N2O6 359.119275 C18rt(min)=5.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0771 Hippuric acid [(2M+H)]+ (13C) C1713CH19N2O6 359.119275 C18rt(min)=5.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJneg0557 Hippuric acid [(2M-H)]- (13C) C1713CH17N2O6 359.120425 C18rt(min)=5.87 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0557 Hippuric acid [(2M-H)]- (13C) C1713CH17N2O6 359.120425 C18rt(min)=5.87 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ045022 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, 3'-O-?-D-Glucopyranoside C15H21NO9 359.121631 NA MeJP NA NA +HMDB10336 Epinephrine glucuronide C15H21NO9 359.121643 NA HMDB2010 NA NA +PJ000511 TCH C13H21N5O5S 359.1264 NA PeJP NA NA +MJ045023 Euxylophorine; 7,8-Didehydro C21H17N3O3 359.126991 NA MeJP NA NA +C12717 Dimefline hydrochloride C20H21NO3 359.1288 NA KEGG NA NA +C12718 Transferred to D01289 C20H21NO3 359.1288 NA KEGG NA NA +C12720 Transferred to D01290 C20H21NO3 359.1288 NA KEGG NA NA +C12721 Transferred to D01291 C20H21NO3 359.1288 NA KEGG NA NA +C12722 Transferred to D01292 C20H21NO3 359.1288 NA KEGG NA NA +C12723 Transferred to D01293 C20H21NO3 359.1288 NA KEGG NA NA +MJ045024 2-[[[4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl]methyl]thio]-1H-benzimidazole; S-Oxide, (±) C18H21N3O3S 359.130362 NA MeJP NA NA +HMDB05026 Rabeprazole C18H21N3O3S 359.13037 http://www.hmdb.ca/metabolites/HMDB05026 HMDB NA NA +HMDB05026 Rabeprazole C18H21N3O3S 359.13037 HMDB05026 PFEM_hmdb_metabocards_official NA NA +HMDB05026 Rabeprazole C18H21N3O3S 359.130371 NA HMDB2010 NA NA +C07864 Rabeprazole C18H21N3O3S 359.1304 NA KEGG NA NA +PJ000512 PDE C14H21N3O8 359.1329 NA PeJP NA NA +MJ045025 Lutessine C19H21NO6 359.136887 NA MeJP NA NA +MJ045026 Oxodipine C19H21NO6 359.136887 NA MeJP NA NA +MJ045027 Ungminorine, O3-Ac C19H21NO6 359.136887 NA MeJP NA NA +7637 ACE inhibitor from bonito bowels GHF 359.147 antioxidative Inhouse_peptide NA peptide +3 Sarcoplasmic FHG 359.148 celiac toxic Inhouse_peptide NA peptide +MJ045028 Capecitabine C15H22FN3O6 359.149263 NA MeJP NA NA +C12650 Capecitabine C15H22FN3O6 359.1493 NA KEGG NA NA +C12651 Transferred to D01224 C15H22FN3O6 359.1493 NA KEGG NA NA +C12652 Transferred to D01225 C15H22FN3O6 359.1493 NA KEGG NA NA +C12653 Transferred to D01226 C15H22FN3O6 359.1493 NA KEGG NA NA +C12654 Transferred to D01227 C15H22FN3O6 359.1493 NA KEGG NA NA +C12655 Transferred to D01228 C15H22FN3O6 359.1493 NA KEGG NA NA +MJ045029 Anhydrodehydrotylophorinidine; Me ether C23H22NO3(+) 359.152143 NA MeJP NA NA +MJ045030 Dehydroantofine C23H22NO3(+) 359.152143 NA MeJP NA NA +PJ000513 GHF C17H21N5O4 359.1594 NA PeJP NA NA +MJ045031 Angustoline, Et ether C22H21N3O2 359.163376 NA MeJP NA NA +MJ045032 Lusaperidone C22H21N3O2 359.163376 NA MeJP NA NA +C11368 Grepafloxacin C19H22FN3O3 359.1645 NA KEGG NA NA +MJ045033 Binfloxacin C19H22FN3O3 359.164519 NA MeJP NA NA +MJ045034 Enrofloxacin C19H22FN3O3 359.164519 NA MeJP NA NA +MJ045035 Grepafloxacin C19H22FN3O3 359.164519 NA MeJP NA NA +MJ045036 1-(4-Fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxy-1-piperidinyl]-1-butanone C21H23F2NO2 359.169685 NA MeJP NA NA +MJ045037 Etoxazole C21H23F2NO2 359.169685 NA MeJP NA NA +MJ045038 Tixadil C24H25NS 359.17077 NA MeJP NA NA +MJ045039 Aknadinine C20H25NO5 359.173272 NA MeJP NA NA +MJ045040 Antibiotic UCS 1025B; 2-Deoxy C20H25NO5 359.173272 NA MeJP NA NA +MJ045041 Codamine, N-oxide(S-) C20H25NO5 359.173272 NA MeJP NA NA +MJ045042 Dyshomerythrine; 2?-Hydroxy C20H25NO5 359.173272 NA MeJP NA NA +MJ045043 Erythlaurine C20H25NO5 359.173272 NA MeJP NA NA +MJ045044 Erythrartine; Me ether, N-oxide C20H25NO5 359.173272 NA MeJP NA NA +MJ045045 Haplophyllidine; Ac C20H25NO5 359.173272 NA MeJP NA NA +MJ045046 Homostephanoline C20H25NO5 359.173272 NA MeJP NA NA +MJ045047 Jamtine; N-Oxide C20H25NO5 359.173272 NA MeJP NA NA +MJ045048 Luteidine; N-Oxide(?-) C20H25NO5 359.173272 NA MeJP NA NA +MJ045049 Luteidine; N-Oxide(?-) C20H25NO5 359.173272 NA MeJP NA NA +MJ045050 N-Homoveratroylhomoveratrylamine C20H25NO5 359.173272 NA MeJP NA NA +MJ045051 Phellinine; Me ether C20H25NO5 359.173272 NA MeJP NA NA +MJ045052 Poskine C20H25NO5 359.173272 NA MeJP NA NA +MJ045053 Pretazettine; 3,8-Diepimer, O8-Et C20H25NO5 359.173272 NA MeJP NA NA +MJ045054 Prometaphanine C20H25NO5 359.173272 NA MeJP NA NA +MJ045055 Roemecarine C20H25NO5 359.173272 NA MeJP NA NA +MJ045056 Sanguinine; O3-(R-3-Hydroxybutanoyl) C20H25NO5 359.173272 NA MeJP NA NA +MJ045057 Sinomenine; 14-Epimer, 8-methoxy C20H25NO5 359.173272 NA MeJP NA NA +MJ045058 Sinomenine; 8-Methoxy C20H25NO5 359.173272 NA MeJP NA NA +MJ045059 Stephanubine C20H25NO5 359.173272 NA MeJP NA NA +MJ045060 Tannagine; 14-Epimer, O2-de-Me C20H25NO5 359.173272 NA MeJP NA NA +MJ045061 biotic UCS 1025A C20H25NO5 359.173272 NA MeJP NA NA +MJ045062 Captodiame C21H29NS2 359.174141 NA MeJP NA NA +PJ000514 VNQ C14H25N5O6 359.1805 NA PeJP NA NA +PJ000515 PPF C19H25N3O4 359.1845 NA PeJP NA NA +PJ000516 PLM C16H29N3O4S 359.1879 NA PeJP NA NA +PJ000517 GQR C13H25N7O5 359.1917 NA PeJP NA NA +7555 ACE inhibitor from soybean PGTAVFK 359.1935 MH2+ Inhouse_peptide NA peptide +7738 NA IAYKPE~ 359.194 MH2+ Inhouse_peptide NA peptide +7746 ACE inhibitor from pearl oyster LVE 359.194 antioxidative Inhouse_peptide NA peptide +PJ000518 VLE C16H29N3O6 359.2057 NA PeJP NA NA +MJ045063 Athrocupressine; Me ether C21H29NO4 359.209658 NA MeJP NA NA +MJ045064 Incarvilline; O-(4-Hydroxy-3-methoxy-E-cinnamoyl) C21H29NO4 359.209658 NA MeJP NA NA +MJ045065 Keitine C21H29NO4 359.209658 NA MeJP NA NA +MJ045066 Longetherine C21H29NO4 359.209658 NA MeJP NA NA +MJ045067 Vakhmadine C21H30NO4(+) 359.209658 NA MeJP NA NA +MetaCyc03183 (-)-phenylalanine jasmonate conjugate [] C21H29N1O4 359.209658 NA metacyc NA NA +PJ000519 VNK C15H29N5O5 359.2169 NA PeJP NA NA +PJ000520 GKR C14H29N7O4 359.2281 NA PeJP NA NA +MJ045068 Curacin D C22H33NOS 359.228285 NA MeJP NA NA +MJ045069 Broussonetine G C18H33NO6 359.230787 NA MeJP NA NA +MJ045070 Broussonetine H C18H33NO6 359.230787 NA MeJP NA NA +MJ045071 Broussonetine N C18H33NO6 359.230787 NA MeJP NA NA +C11805 Loxtidine C19H29N5O2 359.2321 NA KEGG NA NA +MJ045072 Gepirone C19H29N5O2 359.232125 NA MeJP NA NA +MJ045073 Lavoltidine C19H29N5O2 359.232125 NA MeJP NA NA +MJ045074 N-[3-(3-Chloro-4-cyclohexylphenyl)-2-propenyl]-N-ethylcyclohexanamine C23H34ClN 359.237977 NA MeJP NA NA +MJ045075 3-Amino-2-hydroxy-5-methylhexanoylvalylvaline C17H33N3O5 359.242021 NA MeJP NA NA +C08656 Ajaconine C22H33NO3 359.246 NA KEGG NA NA +C08700 Napelline C22H33NO3 359.246 NA KEGG NA NA +MJ045076 Aconosine; 8-Deoxy, 14-ketone C22H33NO3 359.246043 NA MeJP NA NA +MJ045077 Ajaconine C22H33NO3 359.246043 NA MeJP NA NA +MJ045078 Alkaloid GB 18 C22H33NO3 359.246043 NA MeJP NA NA +MJ045079 Atidine C22H33NO3 359.246043 NA MeJP NA NA +MJ045080 Brunonine C22H33NO3 359.246043 NA MeJP NA NA +MJ045081 Corumdizine; N-De-Et, N-Me C22H33NO3 359.246043 NA MeJP NA NA +MJ045082 Cyclomethycaine C22H33NO3 359.246043 NA MeJP NA NA +MJ045083 Himgrine C22H33NO3 359.246043 NA MeJP NA NA +MJ045084 Karakomine C22H33NO3 359.246043 NA MeJP NA NA +MJ045085 Lepenine C22H33NO3 359.246043 NA MeJP NA NA +MJ045086 Napelline C22H33NO3 359.246043 NA MeJP NA NA +MJ045087 O20-Deacetyl-5-de(acetyloxy)-8,9-didehydro-2-deoxy-8,12-dihydro-9,22-secoyuzurimin-23-oic acid C22H33NO3 359.246043 NA MeJP NA NA +MJ045088 Paravallarine; 11?-Hydroxy C22H33NO3 359.246043 NA MeJP NA NA +MJ045089 Paravallarine; 16?-Hydroxy C22H33NO3 359.246043 NA MeJP NA NA +MJ045090 Paravallarine; 7?-Hydroxy C22H33NO3 359.246043 NA MeJP NA NA +MJ045091 Paravallarine; 7?-Hydroxy C22H33NO3 359.246043 NA MeJP NA NA +MJ045092 Songorine; 16R,17-Dihydro C22H33NO3 359.246043 NA MeJP NA NA +MJ045093 Spiramine G C22H33NO3 359.246043 NA MeJP NA NA +MJ045094 Spiramine H C22H33NO3 359.246043 NA MeJP NA NA +MJ045095 Trabzonine C22H33NO3 359.246043 NA MeJP NA NA +MJ045096 Dendroxine; N-(3-Methyl-2-butenyl) C22H34NO3(+) 359.246043 NA MeJP NA NA +MJ045097 Crambescidin 359 C21H33N3O2 359.257277 NA MeJP NA NA +MJ045098 Eptastigmine C21H33N3O2 359.257277 NA MeJP NA NA +HMDB13164 2-Hydroxylauroylcarnitine C19H37NO5 359.267181 NA HMDB2010 NA NA +MJ045099 2-Phenylethylamine; N-(7-Methoxy-4-tetradecenoyl)(4E,7S-) C23H37NO2 359.282429 NA MeJP NA NA +MJ045100 3-Aminopregna-5,17(20)-diene-2,16-diol, N,N-Di-Me C23H37NO2 359.282429 NA MeJP NA NA +MJ045101 Fritimine C23H37NO2 359.282429 NA MeJP NA NA +MJ045102 Kurchiline C23H37NO2 359.282429 NA MeJP NA NA +MJ045103 Kurchiphyllamine; N-Me C23H37NO2 359.282429 NA MeJP NA NA +MJ045104 Methyl homodaphniphyllate C23H37NO2 359.282429 NA MeJP NA NA +MJ045105 Methyl homosecodaphniphyllate C23H37NO2 359.282429 NA MeJP NA NA +MJ045106 20-Aminopregn-5-en-3-ol, N-Di-Me, Me ether C24H41NO 359.318814 NA MeJP NA NA +MJ045107 5-Decanoyl-2-nonylpyridine C24H41NO 359.318814 NA MeJP NA NA +MJ045108 N,N'-Bis(3,7-dimethyl-2,6-octadienyl)guanidine; N3,N4-Di-Me C23H41N3 359.330048 NA MeJP NA NA +MJ045109 Benzylhexadecyldimethylammonium(1+) C25H46N(+) 359.3552 NA MeJP NA NA +MJ045110 Caldoheptamine C18H45N7 359.373644 NA MeJP NA NA +7734 Ala-proctolin ARYLPT 359.692 MH2+ Inhouse_peptide NA peptide +MJ045111 2,4,6-Tribromo-1,3,5-benzenetriol C6H3Br3O3 359.763231 NA MeJP NA NA +MJ045112 1,1,2-Tribromo-1-octen-3-one C8H11Br3O 359.836002 NA MeJP NA NA +MJ045113 Haloprogin C9H4Cl3IO 359.837241 NA MeJP NA NA +MJ045114 1,8-Dibromo-5,6-dichloro-2,6-dimethyl-1,3,7-octatriene C10H12Br2Cl2 359.868281 NA MeJP NA NA +MJ045115 Aplysinolide C12H10Br2O3 359.899669 NA MeJP NA NA +MJ045116 Plocamiopyranoid C10H15Br2ClO2 359.912732 NA MeJP NA NA +MJ045117 2,4,5-Trichloro-1,3,6-trihydroxy-8-methylxanthone C14H7Cl3O5 359.935906 NA MeJP NA NA +MJ045118 2,4,5-Trichloro-3,6,8-trihydroxy-1-methylxanthone C14H7Cl3O5 359.935906 NA MeJP NA NA +MJ045119 2,4,7-Trichloro-1,3,6-trihydroxy-8-methylxanthone C14H7Cl3O5 359.935906 NA MeJP NA NA +MJ045120 2,4,7-Trichloro-3,6,8-trihydroxy-1-methylxanthone C14H7Cl3O5 359.935906 NA MeJP NA NA +MJ045121 Aspirochlorine C12H9ClN2O5S2 359.96414 NA MeJP NA NA +MJ045122 Mycorrhizin A, 1'-Bromo analogue, 3-chloro C14H14BrClO4 359.976399 NA MeJP NA NA +MJ045123 2,2':5',2''-Terthiophene-5-methanol; 3-Methyl-2-butenoyl C18H16O2S3 360.031241 NA MeJP NA NA +MJ045124 2,2':5',2''-Terthiophene-5-methanol; Angeloyl C18H16O2S3 360.031241 NA MeJP NA NA +MJ045125 2,2':5',2''-Terthiophene-5-methanol; Tigloyl C18H16O2S3 360.031241 NA MeJP NA NA +MJ045126 Austocystin A; 4-O-De-Me, 2,3-dihydro C18H13ClO6 360.040065 NA MeJP NA NA +MJ045127 Austocystin A; 6-O-De-Me, 2,3-dihydro C18H13ClO6 360.040065 NA MeJP NA NA +MJ045128 Flavellagic acid; 2,3,8-Tri-Me ether C17H12O9 360.048131 NA MeJP NA NA +MJ045129 Flavellagic acid; 3,7,8-Tri-Me ether C17H12O9 360.048131 NA MeJP NA NA +MJ045130 Kasallene C15H21BrO5 360.057236 NA MeJP NA NA +MJ045131 Obtusallenetriol C15H21BrO5 360.057236 NA MeJP NA NA +MJ045132 Arenicochromene C21H12O6 360.063388 NA MeJP NA NA +MJ045133 Cyclocanaliculatin C21H12O6 360.063388 NA MeJP NA NA +MJ045134 Diphthiocol C21H12O6 360.063388 NA MeJP NA NA +MJ045135 Ethyl loflazepate C18H14ClFN2O3 360.067698 NA MeJP NA NA +MJ045136 18-Bromo-9,17-octadecadiene-5,7,15-triynoic acid, Me ester C19H21BrO2 360.072492 NA MeJP NA NA +MJ045137 Unguinol; 2-Chloro C19H17ClO5 360.076451 NA MeJP NA NA +MJ045138 Hexamethonium(2+); Dibromide C12H30Br2N2 360.077574 NA MeJP NA NA +MJ045139 Fosazepam C18H18ClN2O2P 360.079442 NA MeJP NA NA +MJ045140 Nitrovin C14H12N6O6 360.081832 NA MeJP NA NA +C01850 Rosmarinate C18H16O8 360.0845 NA KEGG NA NA +C04552 3',4',5-Trihydroxy-3,6,7-trimethoxyflavone C18H16O8 360.0845 NA KEGG NA NA +C09764 6-Methoxyaromadendrin 3-O-acetate C18H16O8 360.0845 NA KEGG NA NA +C09982 Acerosin C18H16O8 360.0845 NA KEGG NA NA +C10031 Chrysosplenol C C18H16O8 360.0845 NA KEGG NA NA +C10115 Oxyayanin A C18H16O8 360.0845 NA KEGG NA NA +C10116 Oxyayanin B C18H16O8 360.0845 NA KEGG NA NA +C10191 Thymonin C18H16O8 360.0845 NA KEGG NA NA +C17787 Arcapillin C18H16O8 360.0845 NA KEGG NA NA +C17957 Irigenin C18H16O8 360.0845 NA KEGG NA NA +HMDB03572 Rosmarinic acid C18H16O8 360.084503 NA HMDB2010 NA NA +FL2FEGNS0002 Agamanone C18H16O8 360.08451 143381-59-3 knapsack NA NA +FL3FALNS0010 5,7,3'-Trihydroxy-2',4',5'-trimethoxyflavone;5,7-Dihydroxy-2-(3-hydroxy-2,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C18H16O8 360.08451 144525-19-9 knapsack NA NA +FL3FALNS0013 5,7,4'-Trihydroxy-2',3',5'-trimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-2,3,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C18H16O8 360.08451 352284-02-7 knapsack NA NA +FL3FEGNS0003 5,3',4'-Trihydroxy-6,7,5'-trimethoxyflavone C18H16O8 360.08451 118169-23-6 knapsack NA NA +FL3FEGNS0004 5,7,4'-Trihydroxy-6,3',5'-trimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one;6-Methoxytricin C18H16O8 360.08451 76015-42-4 knapsack NA NA +FL3FEGNS0005 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavone;5,7-Dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one C18H16O8 360.08451 78417-26-2 knapsack NA NA +FL3FEGNS0013 5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone;2-(3,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one C18H16O8 360.08451 178330-71-7 knapsack NA NA +FL3FELNS0002 Arcapillin C18H16O8 360.08451 83162-82-7 knapsack NA NA +FL3FFGNS0003 5,7,3'-Trihydroxy-8,4',5'-trimethoxyflavone C18H16O8 360.08451 - knapsack NA NA +FL3FG8NS0004 5,2',5'-Trihydroxy-6,7,8-trimethoxyflavone C18H16O8 360.08451 92519-92-1 knapsack NA NA +FL3FG8NS0006 5,6,2'-Trihydroxy-7,8,6'-trimethoxyflavone C18H16O8 360.08451 72424-41-0 knapsack NA NA +FL3FGCNS0004 Sideritiflavone;5,3',4'-Trihydroxy-6,7,8-trimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one C18H16O8 360.08451 70360-12-2 knapsack NA NA +FL3FGCNS0005 Sudachitin;Menthocubanone;Menthokubanone;4',5,7-Trihydroxy-3',6,8-trimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one C18H16O8 360.08451 4281-28-1 knapsack NA NA +FL3FGCNS0006 Acerosin;3',5,7-Trihydroxy-4',6,8-trimethoxyflavone;5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one C18H16O8 360.08451 15835-74-2 knapsack NA NA +FL3FGCNS0007 Thymonin;Majoranin;Mucroflavone B;5,6,4'-Trihydroxy-7,8,3'-trimethoxyflavone;5,6-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one C18H16O8 360.08451 76844-67-2 knapsack NA NA +FL3FGCNS0017 5,8,4'-Trihydroxy-6,7,3'-trimethoxyflavone;Isothymonin C18H16O8 360.08451 99615-01-7 knapsack NA NA +FL3FGLNS0009 Tamadone;2-(2,4-Dihydroxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one C18H16O8 360.08451 156648-83-8 knapsack NA NA +FL4DCCNS0003 Padmatin 3-acetate C18H16O8 360.08451 100595-93-5 knapsack NA NA +FL4DCDNS0002 3,5,7,4'-Tetrahydroxy-3'-methoxyflavanone 3-acetate C18H16O8 360.08451 107390-27-2 knapsack NA NA +FL4DEANS0001 6-Methoxyaromadendrin 3-O-acetate;3,5,7,4'-Tetrahydroxy-6-methoxyflavanone 3-acetate C18H16O8 360.08451 130926-71-5 knapsack NA NA +FL4DFANS0003 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-acetate C18H16O8 360.08451 111514-44-4 knapsack NA NA +FL5FAJNM0002 6,8-Di-C-methylmyricetin 4'-methyl ether C18H16O8 360.08451 72686-98-7 knapsack NA NA +FL5FALNS0001 Oxyayanin A C18H16O8 360.08451 549-17-7 knapsack NA NA +FL5FALNS0006 Apuleidin C18H16O8 360.08451 34318-36-0 knapsack NA NA +FL5FALNS0010 Chrysosplenol F C18H16O8 360.08451 135463-10-4 knapsack NA NA +FL5FALNS0019 3,5,7-Trihydroxy-2',4',5'-trimethoxyflavone C18H16O8 360.08451 - knapsack NA NA +FL5FCKNS0001 Myricetin 7,3',4'-trimethyl ether C18H16O8 360.08451 27265-95-8 knapsack NA NA +FL5FDGNM0002 6,8-Di-C-methylmyricetin 3-methyl ether C18H16O8 360.08451 95905-79-6 knapsack NA NA +FL5FDHNS0002 Myricetin 3,7,3'-trimethyl ether;3,7,3'-Trimethoxy-5,4',5'-trihydroxyflavone;2-(3,4-Dihydroxy-5-methoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one C18H16O8 360.08451 94390-21-3 knapsack NA NA +FL5FDHNS0003 7,4',5'-Trihydroxy-3,5,3'-trimethoxyflavone;2-(3,4-Dihydroxy-5-methoxyphenyl)-7-hydroxy-3,5-dimethoxy-4H-1-benzopyran-4-one C18H16O8 360.08451 637774-71-1 knapsack NA NA +FL5FDINS0001 Myricetin 3,3',5'-trimethyl ether C18H16O8 360.08451 110559-13-2 knapsack NA NA +FL5FDJNM0001 6-C-Methylmyricetin 3,4'-dimethyl ether C18H16O8 360.08451 69935-14-4 knapsack NA NA +FL5FDJNS0002 Myricetin 3,7,4'-trimethyl ether;5,3',5'-Trihydroxy-3,7,4'-trimethoxyflavone;2-(3,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one C18H16O8 360.08451 15868-40-3 knapsack NA NA +FL5FDKNS0001 Myricetin 3,3',4'-trimethyl ether C18H16O8 360.08451 80368-72-5 knapsack NA NA +FL5FE8NS0002 5,2',3'-Trihydroxy-3,6,7-trimethoxyflavone C18H16O8 360.08451 - knapsack NA NA +FL5FECNS0001 Chrysosplenol C C18H16O8 360.08451 23370-16-3 knapsack NA NA +FL5FECNS0016 Quercetagetin 3,5,7-trimethyl ether C18H16O8 360.08451 82784-42-7 knapsack NA NA +FL5FECNS0017 Chrysosplenol D;5,3',4'-Trihydroxy-3,6,7-trimethoxyflavone;Quercetagetin 3,6,7-Trimethyl ether;2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one C18H16O8 360.08451 14965-20-9 knapsack NA NA +FL5FECNS0018 Jaceidin;5,7,4'-Trihydroxy-3,6,3'-trimethoxyflavone; Quercetagetin 3,3',6-trimethyl ether;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one C18H16O8 360.08451 10173-01-0 knapsack NA NA +FL5FECNS0019 Centaureidin;5,7,3'-Trihydroxy-3,6,4'-trimethoxyflavone;Desmethoxycentaureidine;Quercetagetin 3,4',6-trimethyl ether;5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one C18H16O8 360.08451 17313-52-9 knapsack NA NA +FL5FECNS0020 Oxyayanin-B C18H16O8 360.08451 548-74-3 knapsack NA NA +FL5FECNS0021 Veronicafolin C18H16O8 360.08451 578-71-2 knapsack NA NA +FL5FECNS0022 Eupatin C18H16O8 360.08451 19587-65-6 knapsack NA NA +FL5FECNS0023 Quercetagetin 6,3',4'-trimethyl ether C18H16O8 360.08451 98790-51-3 knapsack NA NA +FL5FECNS0024 Quercetagetin 7,3',4'-trimethyl ether C18H16O8 360.08451 99499-83-9 knapsack NA NA +FL5FF8NS0004 5,2',3'-Trihydroxy-3,7,8-trimethoxyflavone C18H16O8 360.08451 117259-16-2 knapsack NA NA +FL5FF8NS0005 3,5,8-Trihydroxy-7,2'3'-trimethoxyflavone C18H16O8 360.08451 92585-19-8 knapsack NA NA +FL5FF8NS0006 5,2',5'-Trihydroxy-3,7,8-trimethoxyflavone C18H16O8 360.08451 117259-12-8 knapsack NA NA +FL5FFCNS0013 Gossypetin 3,7,8-trimethyl ether;5,3',4'-Trihydroxy-3,7,8-trimethoxyflavone;3,7,8-Trimethylgossypetin;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7,8-trimethoxy-4H-1-benzopyran-4-one C18H16O8 360.08451 4693-88-3 knapsack NA NA +FL5FFCNS0014 Gossypetin 3,7,3'-trimethyl ether C18H16O8 360.08451 56305-02-3 knapsack NA NA +FL5FFCNS0015 Gossypetin 3,8,3'-trimethyl ether;5,7,4'-Trihydroxy-3,8,3'-trimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,8-dimethoxy-4H-1-benzopyran-4-one C18H16O8 360.08451 14965-08-3 knapsack NA NA +FL5FFCNS0016 Gossypetin 8,3',4'-trimethyl ether C18H16O8 360.08451 106854-92-6 knapsack NA NA +FL5FFLNS0001 3,5,2'-Trihydroxy-7,8,4'-trimethoxyflavone C18H16O8 360.08451 135905-58-7 knapsack NA NA +FL5FGANS0002 5,8,4'-Trihydroxy-3,6,7-trimethoxyflavone C18H16O8 360.08451 120727-34-6 knapsack NA NA +FL5FGANS0003 Sarothrin C18H16O8 360.08451 57393-71-2 knapsack NA NA +FL5FGANS0004 3,5,4'-Trihydroxy-6,7,8-trimethoxyflavone C18H16O8 360.08451 102487-40-1 knapsack NA NA +FLIAEGNS0001 Irigenin;5,7,3'-Trimethoxy-6,4',5'-trimethoxyisoflavone C18H16O8 360.08451 548-76-5 knapsack NA NA +MJ045141 1,2,3,5,8-Pentahydroxy-6-hydroxymethylanthraquinone; 1,2,5-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045142 1,2,3,5,8-Pentahydroxy-6-hydroxymethylanthraquinone; 1,3,5-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045143 1,2,4,5,6,7-Hexahydroxy-3-methylanthraquinone; 5,6,7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045144 2',3',4',5,5',7-Hexahydroxyflavone; 2',3',5'-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045145 2',3',4',5,5',7-Hexahydroxyflavone; 2',4',5'-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045146 2',3',4',5,6',7-Hexahydroxyisoflavone; 2',3',6'-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045147 2',3,3',4',5,7-Hexahydroxyflavone; 3,4',7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045148 2',3,3',5,7,8-Hexahydroxyflavone; 2',3',7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045149 2',3,3',5,7,8-Hexahydroxyflavone; 3,7,8-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045150 2',3,4',5,5',7-Hexahydroxyflavone; 2',3,5'-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045151 2',3,4',5,5',7-Hexahydroxyflavone; 3,4',7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045152 2',3,4',5,5',7-Hexahydroxyflavone; 3,5',7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045153 2',3,4',5,7,8-Hexahydroxyflavone; 2',3,4'-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045154 2',3,4',5,7,8-Hexahydroxyflavone; 4',7,8-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045155 2',3,5,5',6,7-Hexahydroxyflavone; 3,5,7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045156 2',3,5,5',7,8-Hexahydroxyflavone; 2',5',7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045157 2',3,5,5',7,8-Hexahydroxyflavone; 3,7,8-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045158 2',4',5,5',6,7-Hexahydroxyflavone; 2',5',6-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045159 2',4',5,5',6,7-Hexahydroxyflavone; 5',6,7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045160 2',4',5,6,7,8-Hexahydroxyflavone; 6,7,8-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045161 2',5,5',6,7,8-Hexahydroxyflavone; 6,7,8-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045162 2',5,6,6',7,8-Hexahydroxyflavone; 6',7,8-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045163 2',5,6,6',7,8-Hexahydroxyflavone; 6,7,8-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045164 3',4',5,5',6,7-Hexahydroxyflavanone, 3',6-Di-Me ether, 4',5'-methylene ether C18H16O8 360.084517 NA MeJP NA NA +MJ045165 3',4',5,5',6,7-Hexahydroxyflavone; 3',4',6-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045166 3',4',5,5',6,7-Hexahydroxyflavone; 3',5',6-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045167 3',4',5,5',6,7-Hexahydroxyflavone; 4',6,7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045168 3',4',5,5',6,7-Hexahydroxyflavone; 5',6,7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045169 3',4',5,5',6,7-Hexahydroxyisoflavone; 3',4',6-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045170 3',4',5,5',7,8-Hexahydroxyflavone; 3',4',8-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045171 3',4',5,5',7,8-Hexahydroxyflavone; 4',5,8-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045172 3',4',5,6,7,8-Hexahydroxyflavone; 6,7,8-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045173 3',4',5-Trihydroxy-3,6,7-trimethoxyflavone C18H16O8 360.084517 NA MeJP NA NA +MJ045174 3',4',5-Trihydroxy-3,7,8-trimethoxyflavone C18H16O8 360.084517 NA MeJP NA NA +MJ045175 3',4',7-Trihydroxy-3,5,8-trimethoxyflavone C18H16O8 360.084517 NA MeJP NA NA +MJ045176 3',5,6-Trihydroxy-3,4',7-trimethoxyflavone C18H16O8 360.084517 NA MeJP NA NA +MJ045177 3',5,7-Trihydroxy-3,4',6-trimethoxyflavone C18H16O8 360.084517 NA MeJP NA NA +MJ045178 3',5,7-Trihydroxy-4',6,8-trimethoxyflavone C18H16O8 360.084517 NA MeJP NA NA +MJ045179 3,3',4',5,5',7-Hexahydroxy-6,8-dimethylflavone; 3-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045180 3,3',4',5,5',7-Hexahydroxy-6,8-dimethylflavone; 4'-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045181 3,3',4',5,5',7-Hexahydroxy-6-methylflavone; 3,4'-Di-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045182 3,3',4',5,5',7-Hexahydroxyflavone; 3',4',5'-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045183 3,3',4',5,5',7-Hexahydroxyflavone; 3',4',7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045184 3,3',4',5,5',7-Hexahydroxyflavone; 3,3',4'-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045185 3,3',4',5,5',7-Hexahydroxyflavone; 3,3',5'-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045186 3,3',4',5,5',7-Hexahydroxyflavone; 3,3',7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045187 3,3',4',5,5',7-Hexahydroxyflavone; 3,4',7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045188 3,3',4',5,6,7-Hexahydroxyflavone; 3',4',6-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045189 3,3',4',5,6,7-Hexahydroxyflavone; 3',4',7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045190 3,3',4',5,6,7-Hexahydroxyflavone; 3',6,7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045191 3,3',4',5,6,7-Hexahydroxyflavone; 3,5,7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045192 3,3',4',5,7,8-Hexahydroxyflavone; 3',4',7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045193 3,3',4',5,7,8-Hexahydroxyflavone; 3',4',8-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045194 3,3',4',5,7,8-Hexahydroxyflavone; 3',7,8-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045195 3,3',4',5,7,8-Hexahydroxyflavone; 3,3',7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045196 3,3',4',5,7-Pentahydroxyflavanone, 3'-Me ether, 3-Ac C18H16O8 360.084517 NA MeJP NA NA +MJ045197 3,3',4',5,7-Pentahydroxyflavanone, 7-Me ether, 3-Ac C18H16O8 360.084517 NA MeJP NA NA +MJ045198 3,3',5-Trihydroxy-4',6,7-trimethoxyflavone C18H16O8 360.084517 NA MeJP NA NA +MJ045199 3,4',5,6,7,8-Hexahydroxyflavone; 3,6,7-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045200 3,4',5,6,7,8-Hexahydroxyflavone; 3,6,8-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045201 3,4',5,6,7,8-Hexahydroxyflavone; 6,7,8-Tri-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045202 3,4',5,6,7-Pentahydroxyflavanone, 6-Me ether, 3-Ac C18H16O8 360.084517 NA MeJP NA NA +MJ045203 3,4',5,7,8-Pentahydroxyflavanone, 3-Ac, 8-Me ether C18H16O8 360.084517 NA MeJP NA NA +MJ045204 3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-(3,4-Dihydroxy-E-cinnamoyl) C18H16O8 360.084517 NA MeJP NA NA +MJ045205 3-(3,4-Dihydroxyphenyl)-3-hydroxypropanoic acid, 3-O-(3,4-Dihydroxy-E-cinnamoyl) C18H16O8 360.084517 NA MeJP NA NA +MJ045206 4',5,6-Trihydroxy-3',7,8-trimethoxyflavone C18H16O8 360.084517 NA MeJP NA NA +MJ045207 4',5,6-Trihydroxy-3,3',7-trimethoxyflavone C18H16O8 360.084517 NA MeJP NA NA +MJ045208 4',5,7-Trihydroxy-3',6,8-trimethoxyflavone C18H16O8 360.084517 NA MeJP NA NA +MJ045209 4',5,7-Trihydroxy-3,3',6-trimethoxyflavone C18H16O8 360.084517 NA MeJP NA NA +MJ045210 4',5,7-Trihydroxy-3,3',8-trimethoxyflavone C18H16O8 360.084517 NA MeJP NA NA +MJ045211 Byakangelicin, 2',3'-Carbonate C18H16O8 360.084517 NA MeJP NA NA +MJ045212 Dibefurin C18H16O8 360.084517 NA MeJP NA NA +MJ045213 Dihydrostemonal; 9-O-De Me C18H16O8 360.084517 NA MeJP NA NA +MJ045214 Hypoprotocetraric acid; 5'-Hydroxy C18H16O8 360.084517 NA MeJP NA NA +MJ045215 Mycoversilin C18H16O8 360.084517 NA MeJP NA NA +MJ045216 Pulvinatal C18H16O8 360.084517 NA MeJP NA NA +MJ045217 Versiconol C18H16O8 360.084517 NA MeJP NA NA +MJ045218 Rosmarinate C18H16O8 360.084517 NA MeJP NA NA +MetaCyc03184 rosmarinate [] C18H16O8 360.084517 537-15-5 metacyc NA NA +MetaCyc03185 rosmarinic acid [] C18H16O8 360.084517 NA metacyc NA NA +MetaCyc03186 3',4',5-trihydroxy-3,6,7-trimethoxyflavone [] C18H16O8 360.084517 NA metacyc NA NA +HMDB03572 Rosmarinic acid C18H16O8 360.08453 http://www.hmdb.ca/metabolites/HMDB03572 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03572 Rosmarinic acid C18H16O8 360.08453 http://www.hmdb.ca/metabolites/HMDB03572 HMDB NA NA +HMDB03572 Rosmarinic acid C18H16O8 360.08453 http://www.hmdb.ca/metabolites/HMDB03572 PFEM_hmdb_metabocards_blood NA blood +HMDB03572 Rosmarinic acid C18H16O8 360.08453 HMDB03572 PFEM_hmdb_metabocards_official NA NA +FL2FA9NS0008 Pinocembrin 7-O-benzoate C22H16O5 360.09977 153653-38-4 knapsack NA NA +MJ045219 5,7-Dihydroxyflavanone, 7-O-Benzoyl C22H16O5 360.099773 NA MeJP NA NA +MJ045220 Ebenone C22H16O5 360.099773 NA MeJP NA NA +MJ045221 Latinone C22H16O5 360.099773 NA MeJP NA NA +MJ045222 2',3',4',6'-Tetrahydroxyacetophenone; 6'-Me ether, 3'-O-?-D-glucopyranoside C15H20O10 360.105646 NA MeJP NA NA +MJ045223 3,4,5-Trihydroxybenzoic acid; 3,5-Di-Me ether, 4-O-?-D-glucopyranoside C15H20O10 360.105646 NA MeJP NA NA +MJ045224 3,4,5-Trihydroxybenzoic acid; 3,5-Di-Me ether, ?-D-glucopyranosyl ester C15H20O10 360.105646 NA MeJP NA NA +MJ045225 3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 4'-O-?-D-Glucopyranoside C15H20O10 360.105646 NA MeJP NA NA +HMDB00496 3-Methoxy-4-hydroxyphenylglycol glucuronide C15H20O10 360.10565 http://www.hmdb.ca/metabolites/HMDB00496 HMDB NA NA +HMDB00496 3-Methoxy-4-hydroxyphenylglycol glucuronide C15H20O10 360.10565 HMDB00496 PFEM_hmdb_metabocards_official NA NA +HMDB00496 3-Methoxy-4-hydroxyphenylglycol glucuronide C15H20O10 360.105652 NA HMDB2010 NA NA +MJ045226 Chloracyzine C19H21ClN2OS 360.106311 NA MeJP NA NA +MJ045227 Haletazole C19H21ClN2OS 360.106311 NA MeJP NA NA +C07586 Fenofibrate C20H21ClO4 360.1128 NA KEGG NA NA +C07587 Transferred to D00566 C20H21ClO4 360.1128 NA KEGG NA NA +MJ045228 Fenofibric acid; Isopropyl ester C20H21ClO4 360.112836 NA MeJP NA NA +MJ045229 Acalyphin C14H20N2O9 360.11688 NA MeJP NA NA +MJ045230 Leucenine, O-?-D-Glucopyranoside C14H20N2O9 360.11688 NA MeJP NA NA +MJ045231 Palythine; 3-N-(1,2-Dicarboxyethyl) C14H20N2O9 360.11688 NA MeJP NA NA +C08324 Acalyphin C14H20N2O9 360.1169 NA KEGG NA NA +C09403 Elephantopin C19H20O7 360.1209 NA KEGG NA NA +C09467 Goyazensolide C19H20O7 360.1209 NA KEGG NA NA +C09576 Vernodalin C19H20O7 360.1209 NA KEGG NA NA +C14940 2,3-Dihydro-2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxy-4H-1- C19H20O7 360.1209 NA KEGG NA NA +C14941 Pyrethrins C19H20O7 360.1209 NA KEGG NA NA +FL1CGANS0001 2',5'-Dihydroxy-4,3',4',6'-tetramethoxychalcone C19H20O7 360.1209 58497-38-4 knapsack NA NA +FL1CGANS0002 4,3'-Hydroxy-2',4',5',6'-methoxychalcone C19H20O7 360.1209 252235-10-2 knapsack NA NA +FL2FAKNM0001 5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone C19H20O7 360.1209 88839-96-7 knapsack NA NA +FL2FALNS0005 Heteroflavanone A C19H20O7 360.1209 151171-28-7 knapsack NA NA +FL2FCKNS0001 5-Hydroxy-7,3',4',5'-tetramethoxyflavanone C19H20O7 360.1209 92585-23-4 knapsack NA NA +FL2FECNS0003 Agestricin C C19H20O7 360.1209 85563-75-3 knapsack NA NA +FL2FECNS0006 5-Hydroxy-6,7,3',4'-tetramethoxyflavanone C19H20O7 360.1209 115920-39-3 knapsack NA NA +FL2FECNS0007 Agecorynin E;4-Hydroxy-5,6,7,3'-tetramethoxyflavanone C19H20O7 360.1209 104169-56-4 knapsack NA NA +FL2FGANS0003 5-Hydroxy-6,7,8,4'-tetramethoxyflavanone C19H20O7 360.1209 75917-10-1 knapsack NA NA +FL63ACNP0001 9,10-Dihydro-8-hydroxy-10-methyl-8H-pyrano[2,3-h]epicatechin C19H20O7 360.1209 162793-68-2 knapsack NA NA +FL63ACNP0002 Pyranochromene;[2R-(2alpha,3alpha,8beta,10alpha)]-2-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-10-methyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,8-triol C19H20O7 360.1209 162871-91-2 knapsack NA NA +FL63PTNM0002 Elaeocyanidin C19H20O7 360.1209 99257-51-9 knapsack NA NA +FLICQUNS0006 Abruquinone A;6,7,3',4'-Tetramethoxy-2',5'-isoflavanquinone C19H20O7 360.1209 71593-10-7 knapsack NA NA +FLID3GNS0001 8-Hydroxy-3,4,9,10-tetramethoxypterocarpan C19H20O7 360.1209 76474-67-4 knapsack NA NA +MJ045232 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-?-D-Xylopyranoside C19H20O7 360.120902 NA MeJP NA NA +MJ045233 11-Tridecene-3,5,7,9-tetrayne-1,2-diol, 2-O-?-D-Glucopyranoside C19H20O7 360.120902 NA MeJP NA NA +MJ045234 2',3',4,4',5',6'-Hexahydroxychalcone; 2',3',4',6'-Tetra-Me ether C19H20O7 360.120902 NA MeJP NA NA +MJ045235 2',3',4,4',5',6'-Hexahydroxychalcone; 2',4,4',5'-Tetra-Me ether C19H20O7 360.120902 NA MeJP NA NA +MJ045236 2',4',5,6',7-Pentahydroxyflavanone; 2',4',6',7-Tetra-Me ether C19H20O7 360.120902 NA MeJP NA NA +MJ045237 2',5,6',7,8-Pentahydroxyflavanone, 2',6',7,8-Tetra-Me ether C19H20O7 360.120902 NA MeJP NA NA +MJ045238 2-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-10-methyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,8-triol C19H20O7 360.120902 NA MeJP NA NA +MJ045239 3',4',5,5',7-Pentahydroxy-6,8-dimethylflavanone, 3',4'-Di-Me ether C19H20O7 360.120902 NA MeJP NA NA +MJ045240 3',4',5,5',7-Pentahydroxyflavanone, 3',4',5',7-Tetra-Me ether C19H20O7 360.120902 NA MeJP NA NA +MJ045241 3',4',5,6,7-Pentahydroxyflavanone, 3',4',5,7-Tetra-Me ether C19H20O7 360.120902 NA MeJP NA NA +MJ045242 3',4',5,6,7-Pentahydroxyflavanone, 3',4',6,7-Tetra-Me ether C19H20O7 360.120902 NA MeJP NA NA +MJ045243 3',4',5,6,7-Pentahydroxyflavanone, 3',5,6,7-Tetra-Me ether C19H20O7 360.120902 NA MeJP NA NA +MJ045244 3'-Methylevernic acid; Me ester C19H20O7 360.120902 NA MeJP NA NA +MJ045245 3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) C19H20O7 360.120902 NA MeJP NA NA +MJ045246 3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Methyl-2-propenoyl) C19H20O7 360.120902 NA MeJP NA NA +MJ045247 3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 9-(2-Methyl-2-propenoyl) C19H20O7 360.120902 NA MeJP NA NA +MJ045248 3,4,8,9,10-Pentahydroxypterocarpan, 3,4,9,10-Tetra-Me ether C19H20O7 360.120902 NA MeJP NA NA +MJ045249 3-(3,4-Dihydroxybenzyl)-5,6,7-trihydroxy-4-chromanone; 3',6,7-Tri-Me ether C19H20O7 360.120902 NA MeJP NA NA +MJ045250 3-(3,4-Dihydroxybenzyl)-5,7,8-trihydroxy-6-methyl-4-chromanone, 7,8-Di-Me ether C19H20O7 360.120902 NA MeJP NA NA +MJ045251 3-Tridecene-5,7,9,11-tetrayne-1,2-diol, 2-O-?-D-Glucopyranoside C19H20O7 360.120902 NA MeJP NA NA +MJ045252 4',5,6,7,8-Pentahydroxyflavanone, 4',6,7,8-Tetra-Me ether C19H20O7 360.120902 NA MeJP NA NA +MJ045253 4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradiene-12,6;14,2-diolide, 8-(2-Methylpropenoyl) C19H20O7 360.120902 NA MeJP NA NA +MJ045254 5,6,7,8-Tetrahydroxy-3-(4-hydroxybenzyl)-4-chromanone, 6,7,8-Tri-Me ether C19H20O7 360.120902 NA MeJP NA NA +MJ045255 5,8-Dihydroxy-14-oxo-1(10),4(15),11(13)-germacratrien-12,6-olide, 8,9-Didehydro(E-),4?,15-epoxide, 8-(2-methylpropenoyl) C19H20O7 360.120902 NA MeJP NA NA +MJ045256 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(Methoxyacetyl) C19H20O7 360.120902 NA MeJP NA NA +MJ045257 6-Methoxy-3',4'-dehydromurranganon; O-Propanoyl C19H20O7 360.120902 NA MeJP NA NA +MJ045258 Abruquinone A C19H20O7 360.120902 NA MeJP NA NA +MJ045259 Annulin A C19H20O7 360.120902 NA MeJP NA NA +MJ045260 Antibiotic Ro 09-2210 C19H20O7 360.120902 NA MeJP NA NA +MJ045261 Antibiotic UCF 76A C19H20O7 360.120902 NA MeJP NA NA +MJ045262 Barbatic acid C19H20O7 360.120902 NA MeJP NA NA +MJ045263 Curlignan C19H20O7 360.120902 NA MeJP NA NA +MJ045264 Elaeocyanidin C19H20O7 360.120902 NA MeJP NA NA +MJ045265 Excavatin D, 2'?,3'?-Dihydroxy, 2',3'-dihydro C19H20O7 360.120902 NA MeJP NA NA +MJ045266 Excavatin D, 7'?,9'-Dihydroxy, 6',7'-dihydro C19H20O7 360.120902 NA MeJP NA NA +MJ045267 Excavatin D, 7'?-Hydroxy, 6',7'-dihydro, 2'?,3'?-epoxide C19H20O7 360.120902 NA MeJP NA NA +MJ045268 Gibberellin A21; 2,3-Didehydro C19H20O7 360.120902 NA MeJP NA NA +MJ045269 Icacenone C19H20O7 360.120902 NA MeJP NA NA +MJ045270 Obtusatic acid; 2-Me ether C19H20O7 360.120902 NA MeJP NA NA +MJ045271 Stigmahamone II; 3-Me ether C19H20O7 360.120902 NA MeJP NA NA +MJ045272 Subdivaricatic acid C19H20O7 360.120902 NA MeJP NA NA +MJ045273 Teuponin C19H20O7 360.120902 NA MeJP NA NA +MJ045274 Typhic acid C19H20O7 360.120902 NA MeJP NA NA +MJ045275 Ulugbinic acid C19H20O7 360.120902 NA MeJP NA NA +MJ045276 Vaginidiol; 3'-O-Propanoyl, 1''-Ac C19H20O7 360.120902 NA MeJP NA NA +MJ045277 Vernolepin, 2-Hydroxymethyl-2-propenoyl C19H20O7 360.120902 NA MeJP NA NA +CJneg0558 Hippuric acid [(2M-H)]- (13C2) C1613C2H17N2O6 360.123725 C18rt(min)=5.87 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0558 Hippuric acid [(2M-H)]- (13C2) C1613C2H17N2O6 360.123725 C18rt(min)=5.87 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ045278 Oxazafone C19H21ClN2O3 360.12407 NA MeJP NA NA +CJpos0772 Theobromine [(2M+H)]+ C14H17N8O4 360.128875 C18rt(min)=4.79 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0772 Theobromine [(2M+H)]+ C14H17N8O4 360.128875 C18rt(min)=4.79 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +MJ045279 1-Bromo-4,6-eudesmanediol, 6-Ac C17H29BrO3 360.130007 NA MeJP NA NA +C07184 Valacyclovir C13H20N6O4 360.1313 NA KEGG NA NA +EUR021 Dityrosine C18H20N2O6 360.1321 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR021 Dityrosine C18H20N2O6 360.1321 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR021 Dityrosine C18H20N2O6 360.1321 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR021 Dityrosine C18H20N2O6 360.1321 Wishlist Inhousejuil11 NA NA +C07713 Nitrendipine C18H20N2O6 360.1321 NA KEGG NA NA +C17754 3-Methoxytyramine-betaxanthin C18H20N2O6 360.1321 NA KEGG NA NA +MJ045280 Antibiotic SF 2140 C18H20N2O6 360.132136 NA MeJP NA NA +MJ045281 Dityrosine C18H20N2O6 360.132136 NA MeJP NA NA +MJ045282 Isodityrosine C18H20N2O6 360.132136 NA MeJP NA NA +MJ045283 Nitrendipine C18H20N2O6 360.132136 NA MeJP NA NA +EUR021 Dityrosine C18H20N2O6 360.132138 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR021 Dityrosine C18H20N2O6 360.132138 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR021 Dityrosine C18H20N2O6 360.132138 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR021 Dityrosine C18H20N2O6 360.132138 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR021 Dityrosine C18H20N2O6 360.132138 Wishlist HMDB NA NA +EUR021 Dityrosine C18H20N2O6 360.132138 Wishlist Inhouse_PFEM NA NA +EUR021 Dityrosine C18H20N2O6 360.132138 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR021 Dityrosine C18H20N2O6 360.132138 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB06045 Dityrosine C18H20N2O6 360.13214 http://www.hmdb.ca/metabolites/HMDB06045 HMDB NA NA +HMDB06045 Dityrosine C18H20N2O6 360.13214 HMDB06045 PFEM_hmdb_metabocards_official NA NA +TEST015 Dityrosine C18H20N2O6 360.132141 http://www.hmdb.ca/metabolites/HMDB06045 PFEM_hmdb_metabocards_urine NA urine +TEST015 Dityrosine C18H20N2O6 360.132141 http://www.hmdb.ca/metabolites/HMDB06045 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +TEST015 Dityrosine C18H20N2O6 360.132141 http://www.hmdb.ca/metabolites/HMDB06045 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +TEST015 Dityrosine C18H20N2O6 360.132141 http://www.hmdb.ca/metabolites/HMDB06045 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +TEST015 Dityrosine C18H20N2O6 360.132141 http://www.hmdb.ca/metabolites/HMDB06045 HMDB NA NA +HMDB06045 Dityrosine C18H20N2O6 360.132141 NA HMDB2010 NA NA +TEST015 Dityrosine C18H20N2O6 360.132141 http://www.hmdb.ca/metabolites/HMDB06045 Inhouse_PFEM NA NA +TEST015 Dityrosine C18H20N2O6 360.132141 http://www.hmdb.ca/metabolites/HMDB06045 PFEM_hmdb_metabocards_blood NA blood +TEST015 Dityrosine C18H20N2O6 360.132141 http://www.hmdb.ca/metabolites/HMDB06045 PFEM_hmdb_metabocards_official NA NA +7640 ACE inhibitor from porcine myosin (79-81) MNP 360.1353 antioxidative Inhouse_peptide NA peptide +9 Myosin MNP 360.136 celiac toxic Inhouse_peptide NA peptide +PJ000521 NNN C12H20N6O7 360.1394 NA PeJP NA NA +MJ045284 Dercitin C21H20N4S 360.140867 NA MeJP NA NA +C11636 7-Deoxyloganate C16H24O9 360.142 NA KEGG NA NA +C11649 8-Epideoxyloganic acid C16H24O9 360.142 NA KEGG NA NA +MJ045285 1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 3',4'-Di-Me ether, 1-O-?-D-glucopyranoside C16H24O9 360.142032 NA MeJP NA NA +MJ045286 1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 3',4'-Di-Me ether, 2-O-?-D-glucopyranoside C16H24O9 360.142032 NA MeJP NA NA +MJ045287 1-Deglucosylpenstemonosidic acid glucoside C16H24O9 360.142032 NA MeJP NA NA +MJ045288 2-(3,4-Dihydroxyphenyl)-1,3-propanediol; 3'-Me ether, 1-O-?-D-glucopyranoside C16H24O9 360.142032 NA MeJP NA NA +MJ045289 6-Hydroxyboschnaloside C16H24O9 360.142032 NA MeJP NA NA +MJ045290 Aldoxoside C16H24O9 360.142032 NA MeJP NA NA +MJ045291 Aucubigenin; 6-Epimer, 6-Me ether, 1-O-?-D-glucopyranoside C16H24O9 360.142032 NA MeJP NA NA +MJ045292 Aucubigenin; 6-Me ether, 1-O-?-D-glucopyranoside C16H24O9 360.142032 NA MeJP NA NA +MJ045293 Cachineside I C16H24O9 360.142032 NA MeJP NA NA +MJ045294 Deoxyloganic acid C16H24O9 360.142032 NA MeJP NA NA +MJ045295 Illicinolide A; 9?-Hydroxy C16H24O9 360.142032 NA MeJP NA NA +MJ045296 Mussaenosidic acid; 1''-Aldehyde C16H24O9 360.142032 NA MeJP NA NA +MJ045297 Paeonisuffrone; 1-O-?-D-Glucopyranoside C16H24O9 360.142032 NA MeJP NA NA +MJ045298 Semperoside C16H24O9 360.142032 NA MeJP NA NA +MJ045299 Stansioside C16H24O9 360.142032 NA MeJP NA NA +MetaCyc03187 7-deoxyloganate [] C16H24O9 360.142032 NA metacyc NA NA +PJ000522 PNM C14H24N4O5S 360.1468 NA PeJP NA NA +MJ045300 Nadifloxacin C19H21FN2O4 360.148535 NA MeJP NA NA +C17302 AL-294 C21H25ClO3 360.1492 NA KEGG NA NA +MJ045301 Delmadinone C21H25ClO3 360.149222 NA MeJP NA NA +C13676 LY395153 C19H24N2O3S 360.1508 NA KEGG NA NA +FL1D1ANI0003 Brosimacutin H C20H24O6 360.15728 350221-45-3 knapsack NA NA +FL1DRTNI0001 Brosimacutin I C20H24O6 360.15728 350221-46-4 knapsack NA NA +FL6D1CNS0007 Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether C20H24O6 360.15728 77292-34-3 knapsack NA NA +MJ045302 1,10-Epoxy-8-hydroxy-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045303 1,10-Epoxy-8-hydroxy-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Methyl-2,3-epoxybutanoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045304 1,10:2,3-Diepoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045305 1,4,8-Trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 8-Tigloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045306 1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-2-buten-1-one; 1''-Alcohol, 1''-O-(2-acetoxymethyl-2-butenoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045307 10,14-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Tigloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045308 10,14-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045309 10,14-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Tigloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045310 11,12,14-Trihydroxy-7-oxo-8,11,13-icetexatrien-19,10-olide; 10?-form C20H24O6 360.157288 NA MeJP NA NA +MJ045311 12-Hydroxy-6,11,14-trioxo-8,12-abietadien-18-oic acid C20H24O6 360.157288 NA MeJP NA NA +MJ045312 15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8,17-Didehydro, 3-ketone C20H24O6 360.157288 NA MeJP NA NA +MJ045313 15,16-Epoxy-6-hydroxy-13(16),14-clerodadiene-18,19:20,12-diolide C20H24O6 360.157288 NA MeJP NA NA +MJ045314 15-Hydroxy-7-oxo-8,13-labdadiene-16,15:19,6-diolide; 15?-form C20H24O6 360.157288 NA MeJP NA NA +MJ045315 16-(1-Methyl-1-propenyl)eremantholanolide C20H24O6 360.157288 NA MeJP NA NA +MJ045316 2,14-Dihydroxycacalol; 2?-form, 9-O-Propanoyl, 14-Ac C20H24O6 360.157288 NA MeJP NA NA +MJ045317 2,5,8-Trihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045318 2,5-Epoxy-2,8-dihydroxy-1(10),3,11(13)-germacratrien-12,6-olide, O2-Me, 8-(2-methylpropenoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045319 2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-(2,3-Epoxy-2-methylbutanoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045320 2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-2,3-dihydro-6-hydroxy-3-methylbenzofuran, 3',5-Di-Me ether C20H24O6 360.157288 NA MeJP NA NA +MJ045321 3',4',5',6,7-Pentahydroxyflavan; Penta-Me ether C20H24O6 360.157288 NA MeJP NA NA +MJ045322 3',4',5',7,8-Pentahydroxyflavan, Penta-Me ether C20H24O6 360.157288 NA MeJP NA NA +MJ045323 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether C20H24O6 360.157288 NA MeJP NA NA +MJ045324 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',4'-Di-Me ether C20H24O6 360.157288 NA MeJP NA NA +MJ045325 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether C20H24O6 360.157288 NA MeJP NA NA +MJ045326 3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether C20H24O6 360.157288 NA MeJP NA NA +MJ045327 3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 4,5-Di-Me ether C20H24O6 360.157288 NA MeJP NA NA +MJ045328 3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',4'-Di-Me ether C20H24O6 360.157288 NA MeJP NA NA +MJ045329 3,10-Epoxy-3,8-dihydroxy-1,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045330 3,10-Epoxy-8-hydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045331 3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045332 3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(3-Methylbutanoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045333 3,14-Epoxy-8,14-dihydroxy-1,4(15),11(13)-elematrien-12,6-olide, 8-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045334 3,3',4,4',7-Pentahydroxyflavan, Penta-Me ether C20H24O6 360.157288 NA MeJP NA NA +MJ045335 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether C20H24O6 360.157288 NA MeJP NA NA +MJ045336 3,3',4,4',9-Pentahydroxy-9,9'-epoxylignan, 3,3'-Di-Me ether C20H24O6 360.157288 NA MeJP NA NA +MJ045337 3,4-Epoxy-2,8-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 8-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045338 3,4-Epoxy-8,14-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 8-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045339 3,4-Epoxy-8,9-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045340 3,4-Epoxy-8,9-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-(3-Methyl-2-butenoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045341 3,4-Epoxy-8,9-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045342 3,4:15,16-Diepoxy-10-hydroxy-6-oxo-13(16),14-clerodadien-20,12-olide C20H24O6 360.157288 NA MeJP NA NA +MJ045343 3,4:15,16-Diepoxy-7-oxo-13(16),14-clerodadien-20,12-olide, 8?-Hydroxy C20H24O6 360.157288 NA MeJP NA NA +MJ045344 3,4:8,12:15,16-Triepoxy-10-hydroxy-13(16),14-clerodadien-20,1-olide C20H24O6 360.157288 NA MeJP NA NA +MJ045345 3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 6-(2,3-Epoxy-2-methylbutanoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045346 3,8,14-Trihydroxy-1(10),4(15),11(13)-guaiatrien-12,6-olide, 8-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045347 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(3-Hydroxy-2-methylenebutanoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045348 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2-butenoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045349 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(4-Hydroxy-3-methyl-2-butenoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045350 4,18:15,16-Diepoxy-6,19-dihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone C20H24O6 360.157288 NA MeJP NA NA +MJ045351 4,4'-Dihydroxy-3,3'-dimethoxy-9,9'-epoxylignan; 7?-Hydroxy C20H24O6 360.157288 NA MeJP NA NA +MJ045352 4,8,9-Trihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide, 9-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045353 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, ?5'-Isomer(E-), 7'-hydroperoxy, 10'-hydroxy C20H24O6 360.157288 NA MeJP NA NA +MJ045354 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, ?5'-Isomer(E-), 7'-hydroperoxy, 4'-hydroxy C20H24O6 360.157288 NA MeJP NA NA +MJ045355 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, ?7'-Isomer, 10'-hydroxy, 6'R-hydroperoxy C20H24O6 360.157288 NA MeJP NA NA +MJ045356 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, ?7'-Isomer, 4'S-hydroxy, 6'R-hydroperoxy C20H24O6 360.157288 NA MeJP NA NA +MJ045357 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, ?7'-Isomer, 4'S-hydroxy, 6'S-hydroperoxy C20H24O6 360.157288 NA MeJP NA NA +MJ045358 5-Acetyl-2,3-dihydro-3,6,7-trihydroxy-2-isopropenylbenzofuran, 6,7-Di-Me ether, 3-O-angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045359 5-Hydroxy-2,2,8-trimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one; 2',3'-Dihydro, 2',3'-dihydroxy C20H24O6 360.157288 NA MeJP NA NA +MJ045360 6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 6-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045361 6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 6-Tigloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045362 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 6-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045363 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 9-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045364 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 6-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045365 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 6-(3-Methyl-2-butenoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045366 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 6-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045367 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 6-Tigloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045368 6-Hydroxyfuranoeremophil-1(10)-en-9-one, 1?,10?-Epoxide, O-(2,3-epoxy-2-methylbutanoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045369 6-Methoxymarmin; 6'-Ketone C20H24O6 360.157288 NA MeJP NA NA +MJ045370 7,12,20-Trihydroxy-11,14-dioxo-8,12-abietadien-19-oic acid; 7?-form, 19?20 Lactone C20H24O6 360.157288 NA MeJP NA NA +MJ045371 7,12-Dihydroxy-8,12-abietadiene-12,6-olide C20H24O6 360.157288 NA MeJP NA NA +MJ045372 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(2,3-Epoxy-5-hydroxy-3,7-dimethyl-6-octenyl), 8-Me ether C20H24O6 360.157288 NA MeJP NA NA +MJ045373 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(2,6-Dihydroxy-7-methyl-3-methylene-7-octenyl), O8-Me C20H24O6 360.157288 NA MeJP NA NA +MJ045374 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(5,6-Dihydroxy-3,7-dimethyl-2,7-octadienyl), 8-Me ether C20H24O6 360.157288 NA MeJP NA NA +MJ045375 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(6,7-Epoxy-5-hydroxy-3,7-dimethyl-2-octenyl), 8-Me ether C20H24O6 360.157288 NA MeJP NA NA +MJ045376 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(6-Hydroperoxy-3,7-dimethyl-2,7-octadienyl)(2E,6S-), O8-Me C20H24O6 360.157288 NA MeJP NA NA +MJ045377 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(7-Hydroperoxy-3,7-dimethyl-2,5-octadienyl)(E,E-), O8-Me C20H24O6 360.157288 NA MeJP NA NA +MJ045378 7,8-Dihydroxy-9-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045379 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045380 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Ketone, O-(2,3-epoxy-2-methylbutanoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045381 8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045382 8,9-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 9-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045383 8-(1-Hydroxy-2-oxo-3-methylbutyl)-7-methoxy-2H-1-benzopyran-2-one, O-(3-Methylbutanoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045384 8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, O-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045385 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045386 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, Tigloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045387 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-15-oic acid, O-Angeloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045388 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-15-oic acid, O-Tigloyl C20H24O6 360.157288 NA MeJP NA NA +MJ045389 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,5-Dihydro-5-hydroxy-2-furancarbonyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045390 8-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,2-diolide, 2-Methylbutanoyl C20H24O6 360.157288 NA MeJP NA NA +MJ045391 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 3?,4?-epoxide, O-(3-methyl-2-butenoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045392 8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045393 9-Hydroxy-3,11(13)-elemadiene-12,8;15,6-diolide, 2-Methylbutanoyl C20H24O6 360.157288 NA MeJP NA NA +MJ045394 Betolide; 7-Oxo, 17-alcohol C20H24O6 360.157288 NA MeJP NA NA +MJ045395 Bipinnapterolide A C20H24O6 360.157288 NA MeJP NA NA +MJ045396 Bipinnatolide J C20H24O6 360.157288 NA MeJP NA NA +MJ045397 Canellin C C20H24O6 360.157288 NA MeJP NA NA +MJ045398 Casegravol; 4'-O-(3-Methylbutanoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045399 Cordatolide E C20H24O6 360.157288 NA MeJP NA NA +MJ045400 Cordatooblongic acid C20H24O6 360.157288 NA MeJP NA NA +MJ045401 Elemacronquistianthusic acid; 8?-Angeloyloxy C20H24O6 360.157288 NA MeJP NA NA +MJ045402 Elemacronquistianthusic acid; 8?-Tigloyloxy C20H24O6 360.157288 NA MeJP NA NA +MJ045403 Eremantholide B; 17,18-Didehydro(Z-) C20H24O6 360.157288 NA MeJP NA NA +MJ045404 Eriocalyxin A; 6-Carboxylic acid C20H24O6 360.157288 NA MeJP NA NA +MJ045405 Hassanin C20H24O6 360.157288 NA MeJP NA NA +MJ045406 Isochiliolide lactone; 6?-Hydroxy C20H24O6 360.157288 NA MeJP NA NA +MJ045407 Isochiliolide lactone; 8?-Hydroxy C20H24O6 360.157288 NA MeJP NA NA +MJ045408 Isoethuliacoumarin A; 7',8-Dihydro, 7'-hydroxy C20H24O6 360.157288 NA MeJP NA NA +MJ045409 Jamesoniellide E; 20?-Alcohol (lactol) C20H24O6 360.157288 NA MeJP NA NA +MJ045410 Kallolide C C20H24O6 360.157288 NA MeJP NA NA +MJ045411 Marmin, 6'-O-Formyl C20H24O6 360.157288 NA MeJP NA NA +MJ045412 Murrangatin, 2'-O-(3-Methylbutanoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045413 Paniculonol; O-(3-Methylbutanoyl) C20H24O6 360.157288 NA MeJP NA NA +MJ045414 Rhoiptelol B C20H24O6 360.157288 NA MeJP NA NA +MJ045415 Rosmadial; 16-Hydroxy C20H24O6 360.157288 NA MeJP NA NA +MJ045416 Sanguinone A C20H24O6 360.157288 NA MeJP NA NA +MJ045417 Sculponeatin B; 15-Ketone C20H24O6 360.157288 NA MeJP NA NA +MJ045418 Sculponeatin C C20H24O6 360.157288 NA MeJP NA NA +MJ045419 Secobipinnatin J C20H24O6 360.157288 NA MeJP NA NA +MJ045420 Teumicropin; 6-Ketone C20H24O6 360.157288 NA MeJP NA NA +MJ045421 Teusalvin F C20H24O6 360.157288 NA MeJP NA NA +MJ045422 Triptolide C20H24O6 360.157288 NA MeJP NA NA +MJ045423 Villosin C C20H24O6 360.157288 NA MeJP NA NA +MJ045424 Zearalenone, 4-Ac C20H24O6 360.157288 NA MeJP NA NA +C09204 Triptolide C20H24O6 360.1573 NA KEGG NA NA +C09449 Euponin C20H24O6 360.1573 NA KEGG NA NA +C09452 Fastigilin C C20H24O6 360.1573 NA KEGG NA NA +C09513 Molephantinin C20H24O6 360.1573 NA KEGG NA NA +C09514 Multigilin C20H24O6 360.1573 NA KEGG NA NA +C10646 Lariciresinol C20H24O6 360.1573 NA KEGG NA NA +C14289 Dibenzo-18-crown-6 C20H24O6 360.1573 NA KEGG NA NA +MJ045425 Suxamethonium(2+); Dichloride C14H30Cl2N2O4 360.158262 NA MeJP NA NA +MJ045426 Lepidine C21H20N4O2 360.158625 NA MeJP NA NA +MJ045427 Mefeclorazine C20H25ClN2O2 360.160455 NA MeJP NA NA +PJ000523 VNE C14H24N4O7 360.1645 NA PeJP NA NA +7491 ACE inhibitor GVW 360.168 antioxidative Inhouse_peptide NA peptide +8342 fragment 43-48 of bovine lactoferrin LECIRA 360.174 MH2+ Inhouse_peptide NA peptide +PJ000524 GER C13H24N6O6 360.1758 NA PeJP NA NA +MJ045428 7-[(4-Fluorophenoxy)methyl]-2-(5-fluoro-2-pyrimidinyl)octahydro-2H-pyrido[1,2-a]pyrazine C19H22F2N4O 360.176167 NA MeJP NA NA +MJ045429 6-Hydroxy-2,6-dimethyl-2,7-octadienoic acid, O-?-D-Glucopyranoside, Me ester C17H28O8 360.178417 NA MeJP NA NA +MJ045430 Carbazeran C18H24N4O4 360.179755 NA MeJP NA NA +PJ000525 GVW C18H24N4O4 360.1798 NA PeJP NA NA +7580 ACE inhibitor RW 360.18 antioxidative Inhouse_peptide NA peptide +8214 Antioxidative peptide RW 360.18 NA ;SYN:2-Aminoacetate; 2-Aminoacetic acid; Aciport; Aminoacetate; Aminoacetic acid; Aminoethanoate; Aminoethanoic acid; Glicoamin; Glycocoll; Glycolixir; Glycosthene; Gyn-Hydralin; Padil; amino-Acetate; amino-Acetic acidH2Bile; Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +PJ000526 RW C17H24N6O3 360.191 NA PeJP NA NA +EUR374 Aldosterone F1 C21H28O6 360.192875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR374 Aldosterone F1 NA 360.192875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR374 Aldosterone F1 C21H28O6 360.192875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR374 Aldosterone F1 NA 360.192875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR374 Aldosterone F1 C21H28O6 360.192875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR374 Aldosterone F1 NA 360.192875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR374 Aldosterone F1 C21H28O6 360.192875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR374 Aldostérone F1 C21H28O6 360.192875 standards wishlist analysés sur QTOF HMDB NA NA +EUR374 Aldosterone F1 C21H28O6 360.192875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR374 Aldosterone F1 NA 360.192875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR374 Aldosterone F1 C21H28O6 360.192875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR374 Aldosterone F1 C21H28O6 360.192875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB02802 Cortisone C21H28O5 360.19366 http://www.hmdb.ca/metabolites/HMDB02802 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02802 Cortisone C21H28O5 360.19366 http://www.hmdb.ca/metabolites/HMDB02802 HMDB NA NA +HMDB02802 Cortisone C21H28O5 360.19366 http://www.hmdb.ca/metabolites/HMDB02802 PFEM_hmdb_metabocards_blood NA blood +HMDB02802 Cortisone C21H28O5 360.19366 HMDB02802 PFEM_hmdb_metabocards_official NA NA +HMDB00037 Aldosterone C21H28O5 360.193665 NA HMDB2010 NA NA +HMDB02802 Cortisone C21H28O5 360.193665 NA HMDB2010 NA NA +MJ045431 Aldosterone C21H28O5 360.193674 NA MeJP NA NA +MJ045432 Cortisone C21H28O5 360.193674 NA MeJP NA NA +MJ045433 1,10-Epoxyfuranoeremophilane-6,9-diol, 6-(3-Methyl-2-pentenoyl) C21H28O5 360.193674 NA MeJP NA NA +MJ045434 1,3,5,7(14),10-Bisabolapentaene-1,2,4,8-tetrol; 2-Me ether, 8-angeloyl C21H28O5 360.193674 NA MeJP NA NA +MJ045435 11,12,14,20-Tetrahydroxy-5,8,11,13-abietatetraen-7-one; 20-Me ether C21H28O5 360.193674 NA MeJP NA NA +MJ045436 11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; enol-form, 12-Me ether C21H28O5 360.193674 NA MeJP NA NA +MJ045437 11,12-Epoxy-7-drimene-6,9,11-triol, 11-Ketone (lactone), 6-O-(2E,4E-hexadienoyl) C21H28O5 360.193674 NA MeJP NA NA +MJ045438 15,16-Epoxy-1,3,13(16),14-clerodatetraen-18-oic acid, 15,16-Dihydro, 15-methoxy, 16-oxo C21H28O5 360.193674 NA MeJP NA NA +MJ045439 15,16-Epoxy-3,13(16),14-clerodatrien-20,12-olid-18-oic acid, 20?-Alcohol, Me ester C21H28O5 360.193674 NA MeJP NA NA +MJ045440 17,21-Dihydroxypregn-4-ene-3,11,20-trione C21H28O5 360.193674 NA MeJP NA NA +MJ045441 2,16-Epoxy-13-hydroxy-1(15),3,7,11-cembratetraen-20-oic acid, 16-Oxo, Me ester C21H28O5 360.193674 NA MeJP NA NA +MJ045442 2,6,13-Trioxo-4,7,11-cembratrien-18-oic acid; Me ester C21H28O5 360.193674 NA MeJP NA NA +MJ045443 3,14-Dihydroxypregn-5-ene-11,15,20-trione C21H28O5 360.193674 NA MeJP NA NA +MJ045444 3,20-Epoxy-3,11,12-trihydroxy-8,11,13-abietatrien-7-one, 12-Me ether C21H28O5 360.193674 NA MeJP NA NA +MJ045445 3,3',4,4',5-Pentahydroxylignan; 3,3',5-Tri-Me ether C21H28O5 360.193674 NA MeJP NA NA +MJ045446 3,3',4,4',7-Pentahydroxylignan, 3,3',4-Tri-Me ether C21H28O5 360.193674 NA MeJP NA NA +MJ045447 3,4-Dihydro-5,6,8-trihydroxy-3-methyl-1H-2-benzopyran-1-one, 5-Me ether, 6-O-(3,7-dimethyl-2,6-octadienyl) C21H28O5 360.193674 NA MeJP NA NA +MJ045448 3,8,14-Trihydroxypregna-5,11-dien-18,20-olide C21H28O5 360.193674 NA MeJP NA NA +MJ045449 6-(2,4-Dihydroxy-8-phenyloctyl)-5,6-dihydro-2H-pyran-2-one, 2'-Ac C21H28O5 360.193674 NA MeJP NA NA +MJ045450 6-(2,4-Dihydroxy-8-phenyloctyl)-5,6-dihydro-2H-pyran-2-one, 4'-Ac C21H28O5 360.193674 NA MeJP NA NA +MJ045451 6-Hydroxyfuranoeremophil-1(10)-en-9-one, 1?,10?-Epoxide, O-(3-methylpentanoyl) C21H28O5 360.193674 NA MeJP NA NA +MJ045452 6-Hydroxyfuranoeremophilan-15-oic acid, 6-O-Angeloyl, Me ester C21H28O5 360.193674 NA MeJP NA NA +MJ045453 7,12-Dihydroxy-8,12-abietadiene-11,14-dione; 7?-form, 7-Formyl C21H28O5 360.193674 NA MeJP NA NA +MJ045454 7-Hydroxy-1,3,11-cembratrien-20,8-olid-18-oic acid, 7-Ketone, Me ester C21H28O5 360.193674 NA MeJP NA NA +MJ045455 7-Hydroxy-18-nor-4-oxo-2,13-clerodadien-16,15-olide, Ac C21H28O5 360.193674 NA MeJP NA NA +MJ045456 7-Oxo-11,12,14-trihydroxy-8,11,13-abietrien-20-al; 12-Me ether C21H28O5 360.193674 NA MeJP NA NA +MJ045457 8,9-Epoxy-12-hydroxy-12-abietene-7,11,14-trione, Me ether C21H28O5 360.193674 NA MeJP NA NA +MJ045458 Aldosterone C21H28O5 360.193674 NA MeJP NA NA +MJ045459 Amalogenin A C21H28O5 360.193674 NA MeJP NA NA +MJ045460 Aparisthman C21H28O5 360.193674 NA MeJP NA NA +MJ045461 Caesaljapin C21H28O5 360.193674 NA MeJP NA NA +MJ045462 Cinerin II C21H28O5 360.193674 NA MeJP NA NA +MJ045463 Dendryphiellin A C21H28O5 360.193674 NA MeJP NA NA +MJ045464 Digifologenin C21H28O5 360.193674 NA MeJP NA NA +MJ045465 Furanoeremophil-1(10)-ene-3,6-diol, 6-(2-Methylpropanoyl), 3-Ac C21H28O5 360.193674 NA MeJP NA NA +MJ045466 Furanoeremophilane-3,6-diol, 3-(2-Methyl-2-propenoyl), 6-Ac C21H28O5 360.193674 NA MeJP NA NA +MJ045467 Ganomycin A C21H28O5 360.193674 NA MeJP NA NA +MJ045468 Helinudiquinone; 6-Me ether C21H28O5 360.193674 NA MeJP NA NA +MJ045469 Isochromophilone III; Dechloro, 8-Ac C21H28O5 360.193674 NA MeJP NA NA +MJ045470 Perforaquassin C; 1-Ketone C21H28O5 360.193674 NA MeJP NA NA +MJ045471 Prednisolone C21H28O5 360.193674 NA MeJP NA NA +MJ045472 Promalabaricone B C21H28O5 360.193674 NA MeJP NA NA +MJ045473 Rosmanol; 7-Epimer, 7-Me ether C21H28O5 360.193674 NA MeJP NA NA +MJ045474 Rosmanol; 7-Me ether C21H28O5 360.193674 NA MeJP NA NA +MJ045475 Roxibolone C21H28O5 360.193674 NA MeJP NA NA +MJ045476 Sarcophytin; 6,7-Didehydro C21H28O5 360.193674 NA MeJP NA NA +MJ045477 Sarcophytin; 7,15-Didehydro C21H28O5 360.193674 NA MeJP NA NA +MJ045478 Strictic acid; 15,16-Dihydro, 15-methoxy, 16-oxo C21H28O5 360.193674 NA MeJP NA NA +MJ045479 Tricyclodehydroisohumulone C21H28O5 360.193674 NA MeJP NA NA +MetaCyc03188 cortisone [tetrahydrocortisone;adreson;] C21H28O5 360.193674 53-06-5 metacyc NA NA +MetaCyc03189 aldosterone [] C21H28O5 360.193674 NA metacyc NA NA +EUR095 Aldosterone C21H28O5 360.193675 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR095 Aldosterone C21H28O5 360.193675 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR095 Aldosterone C21H28O5 360.193675 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR095 Aldosterone C21H28O5 360.193675 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR095 Aldosterone C21H28O5 360.193675 Wishlist HMDB NA NA +EUR095 Aldosterone C21H28O5 360.193675 Wishlist Inhouse_PFEM NA NA +EUR095 Aldosterone C21H28O5 360.193675 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR095 Aldosterone C21H28O5 360.193675 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR095 Aldosterone C21H28O5 360.1937 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR635 Cortisone [M+H]+ 360.1937 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR095 Aldosterone C21H28O5 360.1937 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR635 Cortisone [M+H]+ 360.1937 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR095 Aldosterone C21H28O5 360.1937 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR635 Cortisone [M+H]+ 360.1937 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR095 Aldosterone C21H28O5 360.1937 Wishlist Inhousejuil11 NA NA +EUR635 Cortisone [M+H]+ 360.1937 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00762 Cortisone C21H28O5 360.1937 NA KEGG NA NA +C01780 Aldosterone C21H28O5 360.1937 NA KEGG NA NA +C07369 Prednisolone C21H28O5 360.1937 NA KEGG NA NA +C09846 Cinerin II C21H28O5 360.1937 NA KEGG NA NA +C10723 Tricyclodehydroisohumulone C21H28O5 360.1937 NA KEGG NA NA +C18039 Aldosterone hemiacetal C21H28O5 360.1937 NA KEGG NA NA +MLBis006 Cortisone HMDB02802_RT9.6_add721(dimer) 360.1943 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis006 Cortisone HMDB02802_RT9.6_add721(dimer) 360.1943 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis006 Cortisone HMDB02802_RT9.6_add721(dimer) 360.1943 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis006 Cortisone HMDB02802_RT9.6_add721(dimer) 360.1943 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis006 Cortisone HMDB02802_RT9.6_add721(dimer) 360.1943 Mlbis HMDB NA NA +MLBis006 Cortisone HMDB02802_RT9.6_add721(dimer) 360.1943 Mlbis Inhouse_PFEM NA NA +MLBis006 Cortisone NA 360.1943 361.2015 Inhouse_sept12 NA NA +MLBis006 Cortisone HMDB02802_RT9.6_add721(dimer) 360.1943 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis006 Cortisone HMDB02802_RT9.6_add721(dimer) 360.1943 Mlbis PFEM_hmdb_metabocards_official NA NA +PJ000527 VDK C15H28N4O6 360.2009 NA PeJP NA NA +7574 ACE inhibitor from sarcoplasmic beef rump VLAQYK 360.202 MH2+ Inhouse_peptide NA peptide +1 Sarcoplasmic VLAQYK 360.203 MH2+ Inhouse_peptide NA peptide +6 Muscle VLAQYK 360.203 MH2+ Inhouse_peptide NA peptide +C10564 O-Acetylcypholophine C20H28N2O4 360.2049 NA KEGG NA NA +MJ045480 17-Oxolupanine; 13-Angeloyloxy C20H28N2O4 360.204907 NA MeJP NA NA +MJ045481 17-Oxolupanine; 13-Tigloyloxy C20H28N2O4 360.204907 NA MeJP NA NA +MJ045482 3-(3-Pyridinyl)propyl 1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylate C20H28N2O4 360.204907 NA MeJP NA NA +MJ045483 Cypholophine; O-Ac C20H28N2O4 360.204907 NA MeJP NA NA +C15148 9-Fluoro-16alpha-methylpregn-4-ene-3,11,20-trione C22H29FO3 360.2101 NA KEGG NA NA +C15271 9-Fluoro-2alpha-methylpregn-4-ene-3,11,20-trione C22H29FO3 360.2101 NA KEGG NA NA +PJ000528 SVR C14H28N6O5 360.2121 NA PeJP NA NA +MJ045484 1-[5-Ethyl-2-hydroxy-4-[[6-methyl-6-(1H-tetrazol-5-yl)heptyl]oxy]]phenylethanone C19H28N4O3 360.21614 NA MeJP NA NA +MJ045485 Fluciprazine C21H29FN2O2 360.221306 NA MeJP NA NA +C15450 S 1033 C20H33O4 360.2277 NA KEGG NA NA +MJ045486 1(9),6,13-Xenicatrien-19,18-olide; 18?-Acetoxy C22H32O4 360.230059 NA MeJP NA NA +MJ045487 1(9),6,13-Xenicatrien-19,18-olide; 4?-Acetoxy C22H32O4 360.230059 NA MeJP NA NA +MJ045488 1-Hydroxy-16-kauren-19-oic acid, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045489 1-Hydroxy-8(17),12,14-labdatrien-19-oic acid, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045490 10-Hydroxy-11-cyathen-13-one; 10?-form, 15-Acetoxy C22H32O4 360.230059 NA MeJP NA NA +MJ045491 11-Hydroxy-12-spongien-16-one; 11?-form, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045492 11-Hydroxy-16-atisen-19-oic acid, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045493 11-Hydroxy-16-kauren-19-oic acid, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045494 11-Hydroxy-19-helvifulvanoic acid, 11-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045495 11-Hydroxy-7,15-isopimaradien-18-oic acid; 11?-form, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045496 11-Hydroxy-8(17),13-labdadien-16,15-olide, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045497 12-Hydroxy-16-kauren-19-oic acid, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045498 15,16-Epoxy-12-cleistathen-11-one, 17-Acetoxy C22H32O4 360.230059 NA MeJP NA NA +MJ045499 15,16-Epoxy-13,17-spatadiene-5,19-diol, 19-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045500 15,16-Epoxy-3,13(16),14-clerodatriene-7,18-diol, 7-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045501 15,16-Epoxy-5,13(16),14-labdatriene-7,9-diol, 7-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045502 15,16-Epoxy-8(17),13(16),14-labdatriene-7,18-diol, 7-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045503 15-Beyerene-18,19-diol; ent-form, 19-Carboxylic acid, 18-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045504 15-Cyanopuupehenol; 15-Decyano, 15?-methoxy C22H32O4 360.230059 NA MeJP NA NA +MJ045505 15-Hydroxy-16-kauren-19-oic acid, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045506 15-Hydroxy-16-kauren-19-oic acid, 15-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045507 15-Hydroxy-16-kauren-20-oic acid, 15-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045508 15-Hydroxy-3,7,11-cembratrien-18,2-olide, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045509 15-Kaurene-3,17-diol, 17-Carboxylic acid, 3-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045510 15-Kaurene-7,17,18-triol, 17-Aldehyde, 7-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045511 16,19-Dihydroxy-8(17),13-labdadien-15-oic acid, 15?16 Lactone, 19-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045512 16-Hydroxy-8(17),13-labdadien-15,16-olide; 16?-form, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045513 16-Kaurene-3,18-diol, 18-Carboxylic acid, 3-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045514 16-Kaurene-3,19-diol, 19-Carboxylic acid, 3-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045515 16-Kaurene-6,18-diol, 18-Carboxylic acid, 6-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045516 18-Hydroxy-3,13-clerodadien-16,15-olide, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045517 2,16:7,8-Diepoxy-1(15),3,11-cembratrien-17-ol, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045518 2-(2-Formyl-3-hydroxymethyl-2-cyclopentenyl)-6,10-dimethyl-5,9-undecadienal; Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045519 2-Hydroxy-3,7,11,15-cembratetraen-19-oic acid; 2-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045520 2-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid; 2?-form, O-(3-Ethyl-2Z-butenoyl), Me ester C22H32O4 360.230059 NA MeJP NA NA +MJ045521 22-Deacetylyanuthone A C22H32O4 360.230059 NA MeJP NA NA +MJ045522 3,16-Dihydroxy-23,24-dinorcholan-22-oic acid, 22?16 Lactone, 20-hydroxy C22H32O4 360.230059 NA MeJP NA NA +MJ045523 3,19-Vouacapanediol, 3-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045524 3,4,6-Eudesmanetriol, 6-Benzoyl C22H32O4 360.230059 NA MeJP NA NA +MJ045525 3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-pentylbenzoic acid C22H32O4 360.230059 NA MeJP NA NA +MJ045526 3-Hydroxy-18-trachylobanoic acid, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045527 3-Hydroxy-7,15-isopimaradien-18-oic acid, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045528 3-Hydroxy-8(17),13(16),14-labdatrien-19-oic acid; 3?-form, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045529 3-Hydroxy-8-kempen-6-one, 2?-Acetoxy C22H32O4 360.230059 NA MeJP NA NA +MJ045530 4,12-Dihydroxy-4,10-seco-2,13(15),17-spatatrien-10-one; 12-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045531 4-Acetoxy-4-methoxy-2-(3,6,9-tetradecatrienyl)-2-cyclopenten-1-one C22H32O4 360.230059 NA MeJP NA NA +MJ045532 4-Hydroxycrenulide; 4-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045533 5,19-Vouacapanediol; 5?-form, 19-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045534 5,6-Vouacapanediol, 6-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045535 5-Hydroxy-10-oxo-4,10-seco-2,13(15),17-spatatrien-12-al, 12-Alcohol, 5-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045536 5-Hydroxy-2-tridecyl-4H-1-benzopyran-4-one; 7-Hydroxy C22H32O4 360.230059 NA MeJP NA NA +MJ045537 6,11-Dihydroxy-16-kauren-15-one, 6-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045538 6-Hydroxy-3,12,14-clerodatrien-20-oic acid, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045539 6-Hydroxy-8(17),12,14-labdatrien-18-oic acid, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045540 6-Hydroxy-8(17),12,14-labdatrien-19-oic acid, 6-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045541 7,12,14-Labdatriene-6,17-diol, 17-Carboxylic acid, 6-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045542 7,14-Dihydroxy-16-kauren-15-one, 7-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045543 7,18-Trachylobanediol, 18-Carboxylic acid, 7-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045544 7,8-Epoxy-16-hydroxy-3,12(18)-dolabelladien-13-one, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045545 7,8-Epoxy-6-hydroxy-3,12(18)-dolabelladien-13-one, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045546 7,8:11,12-Diepoxy-1,3,15-cembratrien-14-ol, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045547 7-Hydroxy-13(17),15-cleistanthadien-19-oic acid, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045548 7-Hydroxy-16-kauren-19-oic acid, 7-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045549 7-Hydroxy-2,6-cyclo-9,13-xenicadiene-18,19-dial; Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045550 7-Hydroxy-8(14),15-isopimaradien-18-oic acid; 7?-form, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045551 7-Hydroxy-8(17),12,14-labdatrien-18-oic acid, 7-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045552 8(14),15-Isopimaradiene-1,6,9-triol, 1-Ketone, 6-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045553 8(14),15-Isopimaradiene-12,18-diol; 12?-form, 18-Carboxylic acid, 12-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045554 8(14),15-Isopimaradiene-3,18-diol, 18-Carboxylic acid, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045555 9,13-Dihydroxy-1,3-dolastadien-6-one, 13-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045556 9,13-Epoxy-6-hydroxy-7,14-labdadien-17-al, 6-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045557 9-Hydroxy-2,14-dichotomadiene-19,20-diol, Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045558 9-Hydroxy-3,7,12-dolabellatrien-16-al, 16-Carboxylic acid, 9-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045559 Antibiotic A 88696D C22H32O4 360.230059 NA MeJP NA NA +MJ045560 Antibiotic FT 0554 C22H32O4 360.230059 NA MeJP NA NA +MJ045561 Dictyodendrillolide C22H32O4 360.230059 NA MeJP NA NA +MJ045562 Dictyotalide A; 1,2-Didehydro, 19-alcohol, 19-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045563 Dilopholide C22H32O4 360.230059 NA MeJP NA NA +MJ045564 Dilopholone; 3?-Acetoxy C22H32O4 360.230059 NA MeJP NA NA +MJ045565 Dilophus ether C22H32O4 360.230059 NA MeJP NA NA +MJ045566 Iloprost C22H32O4 360.230059 NA MeJP NA NA +MJ045567 Jaspiferal E; 13E-Isomer, 29-alcohol C22H32O4 360.230059 NA MeJP NA NA +MJ045568 Jaspiferal E; 29-Alcohol C22H32O4 360.230059 NA MeJP NA NA +MJ045569 Jolkinol C; 3?-Alcohol, 14-Ac C22H32O4 360.230059 NA MeJP NA NA +MJ045570 Macrophorin A C22H32O4 360.230059 NA MeJP NA NA +MJ045571 Nafuredin C22H32O4 360.230059 NA MeJP NA NA +MJ045572 Oxoprostol C22H32O4 360.230059 NA MeJP NA NA +MJ045573 Petiodial C22H32O4 360.230059 NA MeJP NA NA +MJ045574 Phomalactone; (4,6S-Dimethyl-2E,4E-dodecadienoyl) C22H32O4 360.230059 NA MeJP NA NA +MJ045575 Rabdohakusin C22H32O4 360.230059 NA MeJP NA NA +MJ045576 Resocortol C22H32O4 360.230059 NA MeJP NA NA +MJ045577 Siccanochromene D; 5-Hydroxy C22H32O4 360.230059 NA MeJP NA NA +MJ045578 Siphonodictyal A C22H32O4 360.230059 NA MeJP NA NA +MJ045579 Solandelactone G C22H32O4 360.230059 NA MeJP NA NA +MetaCyc03190 cannabinerolic acid [CBNRA;] C22H32O4 360.23006 NA metacyc NA NA +MetaCyc03191 cannabigerolic acid [CBGA;] C22H32O4 360.23006 NA metacyc NA NA +HMDB03689 Neuroprotectin D1 C22H32O4 360.23007 http://www.hmdb.ca/metabolites/HMDB03689 HMDB NA NA +HMDB04038 Resolvin D5 C22H32O4 360.23007 http://www.hmdb.ca/metabolites/HMDB04038 HMDB NA NA +HMDB03689 Neuroprotectin D1 C22H32O4 360.23007 HMDB03689 PFEM_hmdb_metabocards_official NA NA +HMDB04038 Resolvin D5 C22H32O4 360.23007 HMDB04038 PFEM_hmdb_metabocards_official NA NA +HMDB03689 Neuroprotectin D1 C22H32O4 360.230072 NA HMDB2010 NA NA +HMDB04038 Resolvin D5 C22H32O4 360.230072 NA HMDB2010 NA NA +C14939 11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione C22H32O4 360.2301 NA KEGG NA NA +C15314 11beta,17beta-Dihydroxyandrost-4-en-3-one 17-propionate C22H32O4 360.2301 NA KEGG NA NA +MJ045580 Chimonanthine, N-Me C23H28N4 360.231396 NA MeJP NA NA +C09097 Calycanthidine C23H28N4 360.2314 NA KEGG NA NA +PJ000529 TLK C16H32N4O5 360.2373 NA PeJP NA NA +MJ045581 Holarricine C21H32N2O3 360.241292 NA MeJP NA NA +MJ045582 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Trimethylsilyl ether C22H36O2Si 360.248456 NA MeJP NA NA +C15331 17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate C23H36O3 360.2664 NA KEGG NA NA +C15417 3beta-Hydroxy-5alpha-pregnan-20-one acetate C23H36O3 360.2664 NA KEGG NA NA +MJ045583 17-Methylandrost-5-ene-3,17-diol, 3-Propanoyl C23H36O3 360.266445 NA MeJP NA NA +MJ045584 24-Nor-9,10-secochola-5,7,10(19)-triene-1,3,23-triol C23H36O3 360.266445 NA MeJP NA NA +MJ045585 3,16,17-Phyllocladanetriol, 3-Ketone, 16,17-O-isopropylidene C23H36O3 360.266445 NA MeJP NA NA +MJ045586 3-Hydroxypregnan-16-one, Ac C23H36O3 360.266445 NA MeJP NA NA +MJ045587 8,11,13-Abietatriene-7,11,12-triol, 7-Et, 12-Me ether C23H36O3 360.266445 NA MeJP NA NA +MJ045588 Drostanolone; 17-Propanoyl C23H36O3 360.266445 NA MeJP NA NA +MJ045589 Durbinal B C23H36O3 360.266445 NA MeJP NA NA +MJ045590 Funiculatin A C23H36O3 360.266445 NA MeJP NA NA +MJ045591 Incisterol; 24R-Ethyl C23H36O3 360.266445 NA MeJP NA NA +MJ045592 Propetandrol C23H36O3 360.266445 NA MeJP NA NA +MJ045593 3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxy-10-methyldodecanoyl) C22H36N2O2 360.277678 NA MeJP NA NA +MJ045594 3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxy-11-methyldodecanoyl) C22H36N2O2 360.277678 NA MeJP NA NA +HMDB06246 Tetracosatetraenoic acid n-6 C24H40O2 360.302826 NA HMDB2010 NA NA +HMDB06246 tetracosatetraenoic acid n-6 C24H40O2 360.30283 http://www.hmdb.ca/metabolites/HMDB06246 HMDB NA NA +MJ045595 1-(4-Hydroxyphenyl)-5-octadecanone C24H40O2 360.30283 NA MeJP NA NA +MJ045596 1-Phenyl-1,3-octadecanedione; 1-Alcohol C24H40O2 360.30283 NA MeJP NA NA +MJ045597 1-Phenyl-1,3-octadecanedione; 3-Alcohol C24H40O2 360.30283 NA MeJP NA NA +MJ045598 3-Hydroxy-22,23,24,25,26,27-hexanordammaran-20-one C24H40O2 360.30283 NA MeJP NA NA +MJ045599 5-Heptadecyl-1,3-benzenediol; 10',11'-Didehydro(Z-), mono-Me ether C24H40O2 360.30283 NA MeJP NA NA +MJ045600 Cholan-24-oic acid C24H40O2 360.30283 NA MeJP NA NA +HMDB06246 tetracosatetraenoic acid n-6 C24H40O2 360.30283 HMDB06246 PFEM_hmdb_metabocards_official NA NA +MJ045601 Pregnane-3,20-diamine, N3,N20,N20-Tri-Me C24H44N2 360.350449 NA MeJP NA NA +MJ045602 Pregnane-3,20-diamine, N3,N3,N20-Tri-Me C24H44N2 360.350449 NA MeJP NA NA +MJ045603 Pregnane-3,20-diamine, N3,N20,N20-Tri-Me C24H44N2 360.350449 NA MeJP NA NA +2827 PEP inhibitor MPPPLPA 360.6847 MH2+ Inhouse_peptide NA peptide +2791 precursor of thyrotropin hormone (1-6) KRQHPG 360.692 MH2+ Inhouse_peptide NA peptide +MJ045604 Convolutamydines; Convolutamydine A C11H9Br2NO3 360.894918 NA MeJP NA NA +MJ045605 Ascididemin; 2-Bromo C18H8BrN3O 360.985074 NA MeJP NA NA +MetaCyc03192 acifluorfen [] C14H7N1O5F3CL1 360.996485 NA metacyc NA NA +MJ045606 Polycarpamine C C14H19NO2S4 361.029861 NA MeJP NA NA +C04871 (RS)-2-[4-(3-Chloro-5-(trifluoromethyl-2-pyridyloxy)phenoxy]- C15H11ClF3NO4 361.0329 NA KEGG NA NA +C04872 1,2-Diacyl-3-[3-(alpha-D-N-acetylneuraminyl)-beta-D-galactosyl]-sn- C22H33NO18R2 361.0329 NA KEGG NA NA +C12691 Cefacetrile sodium C13H12N3O6S 361.0345 NA KEGG NA NA +C12692 Transferred to D01263 C13H12N3O6S 361.0345 NA KEGG NA NA +C12693 Transferred to D01264 C13H12N3O6S 361.0345 NA KEGG NA NA +C12694 Transferred to D01265 C13H12N3O6S 361.0345 NA KEGG NA NA +C12695 Transferred to D01266 C13H12N3O6S 361.0345 NA KEGG NA NA +C12696 Transferred to D01267 C13H12N3O6S 361.0345 NA KEGG NA NA +C12697 Transferred to D01268 C13H12N3O6S 361.0345 NA KEGG NA NA +C12698 Transferred to D01269 C13H12N3O6S 361.0345 NA KEGG NA NA +C12699 Transferred to D01270 C13H12N3O6S 361.0345 NA KEGG NA NA +C12700 Transferred to D01271 C13H12N3O6S 361.0345 NA KEGG NA NA +C12701 Transferred to D01272 C13H12N3O6S 361.0345 NA KEGG NA NA +C12702 Transferred to D01273 C13H12N3O6S 361.0345 NA KEGG NA NA +C12703 Transferred to D01274 C13H12N3O6S 361.0345 NA KEGG NA NA +C12704 Transferred to D01275 C13H12N3O6S 361.0345 NA KEGG NA NA +C12705 Transferred to D01276 C13H12N3O6S 361.0345 NA KEGG NA NA +C12706 Transferred to D01277 C13H12N3O6S 361.0345 NA KEGG NA NA +C12707 Transferred to D01278 C13H12N3O6S 361.0345 NA KEGG NA NA +C12708 Transferred to D01279 C13H12N3O6S 361.0345 NA KEGG NA NA +C12709 Transferred to D01280 C13H12N3O6S 361.0345 NA KEGG NA NA +C12710 Transferred to D01281 C13H12N3O6S 361.0345 NA KEGG NA NA +C12711 Transferred to D01282 C13H12N3O6S 361.0345 NA KEGG NA NA +C08418 Glucoputranjivin C10H19NO9S2 361.0501 NA KEGG NA NA +MJ045607 Isopropyl glucosinolate C10H19NO9S2 361.050122 NA MeJP NA NA +C11024 Fenoxaprop ethyl C18H16ClNO5 361.0717 NA KEGG NA NA +MJ045608 Sparsomycin C13H19N3O5S2 361.076612 NA MeJP NA NA +MJ045609 Polycarpamine A C15H23NO3S3 361.084005 NA MeJP NA NA +PJ000530 CCH C12H19N5O4S2 361.0879 NA PeJP NA NA +MJ045610 Fostedil C18H20NO3PS 361.09015 NA MeJP NA NA +MJ045611 Decarine; Ac C21H15NO5 361.095022 NA MeJP NA NA +MJ045612 Chelirubine C21H16NO5(+) 361.095022 NA MeJP NA NA +MJ045613 Bezafibrate C19H20ClNO4 361.108085 NA MeJP NA NA +MJ045614 Metampicillin C17H19N3O4S 361.109626 NA MeJP NA NA +MJ045615 1,2,3,4,5,6-Hexahydroxyacridone; O2,O3,O4,O5,N-Penta-Me C18H19NO7 361.116151 NA MeJP NA NA +MJ045616 1-(4-Hydroxyphenyl)-3H-benzo[a]pyrrolo[2,3-c]phenazine C24H15N3O 361.121512 NA MeJP NA NA +PJ000531 NND C12H19N5O8 361.1234 NA PeJP NA NA +PJ000532 PDM C14H23N3O6S 361.1308 NA PeJP NA NA +MJ045617 Bisacodyl C22H19NO4 361.131408 NA MeJP NA NA +CJpos0773 Theobromine [(2M+H)]+ (13C) C1313CH17N8O4 361.132275 C18rt(min)=4.79 Pos identified a,b,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0773 Theobromine [(2M+H)]+ (13C) C1313CH17N8O4 361.132275 C18rt(min)=4.79 Pos identified a,b,c base_CJunot_PubAnalChem2012_POS positive NA +MJ045618 Rilapine C22H20ClN3 361.134575 NA MeJP NA NA +MJ045619 2-(Phenylthio)ethyl 1,4-dihydro-2,4,6-trimethylpyridine-3-carboxylate-5-carboxylic acid, Me ester C19H23NO4S 361.134778 NA MeJP NA NA +MJ045620 Benoxathian C19H23NO4S 361.134778 NA MeJP NA NA +MJ045621 Simmondsin; 4-O-De-Me C15H23NO9 361.137281 NA MeJP NA NA +MJ045622 Emepronium(1+), Bromide C20H28BrN 361.140512 NA MeJP NA NA +MJ045623 Euxylophorine C21H19N3O3 361.142641 NA MeJP NA NA +MJ045624 Evodiamine, 7?-Methoxycarbonyl C21H19N3O3 361.142641 NA MeJP NA NA +MJ045625 Lyalidine C21H19N3O3 361.142641 NA MeJP NA NA +MJ045626 Ofloxacin C18H20FN3O4 361.143784 NA MeJP NA NA +HMDB01929 Levofloxacin C18H20FN3O4 361.143799 NA HMDB2010 NA NA +C07321 Ofloxacin C18H20FN3O4 361.1438 NA KEGG NA NA +C07660 Levofloxacin C18H20FN3O4 361.1438 NA KEGG NA NA +PJ000533 VDE C14H23N3O8 361.1485 NA PeJP NA NA +C08514 3-Acetylnerbowdine C19H23NO6 361.1525 NA KEGG NA NA +MJ045627 Butocrolol C19H23NO6 361.152537 NA MeJP NA NA +MJ045628 Crinafolidine C19H23NO6 361.152537 NA MeJP NA NA +MJ045629 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(2-Hydroxy-3-methoxy-3-methylbutyl), 4,8-di-Me ether C19H23NO6 361.152537 NA MeJP NA NA +MJ045630 Galwesine C19H23NO6 361.152537 NA MeJP NA NA +MJ045631 Nerbowdine; O3-Ac C19H23NO6 361.152537 NA MeJP NA NA +CJpos0774 Creatinine (and isomer) [(3M+Na)]+ C12H21N9NaO3 361.158175 C18rt(min)=0.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0774 Creatinine (and isomer) [(3M+Na)]+ C12H21N9NaO3 361.158175 C18rt(min)=0.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +PJ000534 SQQ C13H23N5O7 361.1598 NA PeJP NA NA +C06830 Anisotropine methylbromide C17H32NO2 361.1616 NA KEGG NA NA +MJ045632 Octatropine methylbromide C17H32BrNO2 361.161641 NA MeJP NA NA +CJpos0775 Hydroxyoctanoylcarnitine [(M+H)+(NaCl)]+ C15H30ClNNaO5 361.162675 C18rt(min)=6.6 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0775 Hydroxyoctanoylcarnitine [(M+H)+(NaCl)]+ C15H30ClNNaO5 361.162675 C18rt(min)=6.6 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ045633 ?-Cyclopentyl-4-(2-quinolinylmethoxy)benzeneacetic acid C23H23NO3 361.167793 NA MeJP NA NA +MJ045634 Buxifoliadine D C23H23NO3 361.167793 NA MeJP NA NA +MJ045635 Clauszoline A C23H23NO3 361.167793 NA MeJP NA NA +MJ045636 Pyrayaquinone C C23H23NO3 361.167793 NA MeJP NA NA +MJ045637 Severifoline C23H23NO3 361.167793 NA MeJP NA NA +MJ045638 N-[[[1-[4-(Aminoiminomethyl)phenyl]-2-oxo-3-pyrrolidinyl]amino]carbonyl]-?-alanine; Et ester C17H23N5O4 361.175004 NA MeJP NA NA +MJ045639 Isamfazone C22H23N3O2 361.179026 NA MeJP NA NA +MJ045640 Serazapine C22H23N3O2 361.179026 NA MeJP NA NA +C12886 Dialicor C21H27NO2 361.1809 NA KEGG NA NA +C12887 Transferred to D01441 C21H27NO2 361.1809 NA KEGG NA NA +MJ045641 Antibiotic BE 16627; Antibiotic BE 16627A C15H27N3O7 361.1849 NA MeJP NA NA +PJ000535 TLE C15H27N3O7 361.1849 NA PeJP NA NA +MJ045642 Tiopropamine C24H27NS 361.18642 NA MeJP NA NA +C10361 Phalaenopsine T C20H27NO5 361.1889 NA KEGG NA NA +MJ045643 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(3,4,5-Trimethoxycinnamoyl) C20H27NO5 361.188922 NA MeJP NA NA +MJ045644 Buquinolate C20H27NO5 361.188922 NA MeJP NA NA +MJ045645 Cephalofortuneine C20H27NO5 361.188922 NA MeJP NA NA +MJ045646 Chromonar C20H27NO5 361.188922 NA MeJP NA NA +MJ045647 Erythratidine; 11-Methoxy C20H27NO5 361.188922 NA MeJP NA NA +MJ045648 Hernandolinol C20H27NO5 361.188922 NA MeJP NA NA +MJ045649 Phalaenopsines C20H27NO5 361.188922 NA MeJP NA NA +MJ045650 Robustamine; (6S)-N-Oxide C20H27NO5 361.188922 NA MeJP NA NA +PJ000536 SQK C14H27N5O6 361.1961 NA PeJP NA NA +PJ000537 GGTK C14H27N5O6 361.1962 NA PeJP NA NA +PJ000538 PVF C19H27N3O4 361.2002 NA PeJP NA NA +PJ000539 VLM C16H31N3O4S 361.2035 NA PeJP NA NA +MJ045651 10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxylic acid; Tropine ester C24H27NO2 361.204179 NA MeJP NA NA +MJ045652 2-Cyano-3,3-diphenyl-2-propenoic acid; 2-Ethylhexyl ester C24H27NO2 361.204179 NA MeJP NA NA +MJ045653 Currayanine; 12-Methoxy C24H27NO2 361.204179 NA MeJP NA NA +MJ045654 Levophenacylmorphan C24H27NO2 361.204179 NA MeJP NA NA +MJ045655 Mahanimbicine, 8-Methoxy C24H27NO2 361.204179 NA MeJP NA NA +MJ045656 Murrayamine B C24H27NO2 361.204179 NA MeJP NA NA +MJ045657 Murrayamine F C24H27NO2 361.204179 NA MeJP NA NA +MJ045658 Phenylalaninylarginal; N2-Propanoyl C18H27N5O3 361.211389 NA MeJP NA NA +MJ045659 Itrocainide C23H27N3O 361.215412 NA MeJP NA NA +MJ045660 Prenoxdiazine C23H27N3O 361.215412 NA MeJP NA NA +MJ045661 Furethidine C21H31NO4 361.225308 NA MeJP NA NA +MJ045662 Gomandonine C21H31NO4 361.225308 NA MeJP NA NA +MJ045663 Heterophylline C21H31NO4 361.225308 NA MeJP NA NA +MJ045664 Pentagydine; 16-Demethoxy C21H31NO4 361.225308 NA MeJP NA NA +MJ045665 Pazelliptine C22H27N5 361.226645 NA MeJP NA NA +PJ000540 SKK C15H31N5O5 361.2325 NA PeJP NA NA +MJ045666 Negamycin, 6-N-Leucyl C15H31N5O5 361.232519 NA MeJP NA NA +MJ045667 Butaclamol C25H31NO 361.240564 NA MeJP NA NA +MJ045668 Broussonetinine A; 4-Epimer, 1'R-hydroxy C18H35NO6 361.246437 NA MeJP NA NA +HMDB05096 N-Arachidonoyl glycine C22H35NO3 361.261688 NA HMDB2010 NA NA +MJ045669 Alkaloid GB 15 C22H35NO3 361.261693 NA MeJP NA NA +MJ045670 Atidine; 7?-Alcohol C22H35NO3 361.261693 NA MeJP NA NA +MJ045671 Cardiopetaline; 1-Epimer, 1-Me ether C22H35NO3 361.261693 NA MeJP NA NA +MJ045672 Dictysine; N-De-Me, N-Et C22H35NO3 361.261693 NA MeJP NA NA +MJ045673 Karakoline; 8-Deoxy C22H35NO3 361.261693 NA MeJP NA NA +MJ045674 N-[2-(4-Hydroxyphenyl)ethyl]-3-methyl-2-dodecenamide, 3-Methoxy C22H35NO3 361.261693 NA MeJP NA NA +MJ045675 N-[2-(4-Hydroxyphenyl)ethyl]-3-methyl-2-dodecenamide, Me ether, 3-hydroxy C22H35NO3 361.261693 NA MeJP NA NA +MJ045676 20-Aminopregnan-3-ol, N-Ac C23H39NO2 361.298079 NA MeJP NA NA +MJ045677 N-(2-Hydroxy-1-methylethyl)-5,8,11,14-eicosatetraenamide C23H39NO2 361.298079 NA MeJP NA NA +MJ045678 2,4,14-Eicosatrienoic acid, 2-Methylpropylamide C24H43NO 361.334465 NA MeJP NA NA +MJ045679 2,4,8-Eicosatrienoic acid, 2-Methylpropylamide C24H43NO 361.334465 NA MeJP NA NA +MJ045680 3-Alkyl-1H-pyrrole-2-carboxaldehyde; 3-Nonadecyl-1H-pyrrole-2-carboxaldehyde C24H43NO 361.334465 NA MeJP NA NA +MJ045681 5-Alkyl-1H-pyrrole-2-carboxaldehydes; 5-Nonadecyl-1H-pyrrole-2-carboxaldehyde C24H43NO 361.334465 NA MeJP NA NA +MJ045682 Pyrrolidine; N-(2,11-Eicosadienoyl)(E,E-) C24H43NO 361.334465 NA MeJP NA NA +MJ045683 Pyrrolidine; N-(3,6-Eicosadienoyl) C24H43NO 361.334465 NA MeJP NA NA +MJ045684 Trichonine C24H43NO 361.334465 NA MeJP NA NA +C15436 Didecyldimethylammonium chloride C22H48N 361.3475 NA KEGG NA NA +MJ045685 Simaldrate Al2Mg2O11Si3 361.808001 NA MeJP NA NA +C07552 Aldrin C12H8Cl6 361.8757 NA KEGG NA NA +MJ045686 1,4-Dibromo-5-chloro-2-(2-chloroethenyl)-1,5-dimethylcyclohexane C10H14Br2Cl2 361.883931 NA MeJP NA NA +MJ045687 1,6-Dibromo-2,7-dichloro-3,7-dimethyl-1,3-octadiene C10H14Br2Cl2 361.883931 NA MeJP NA NA +MJ045688 1,8-Dibromo-2,6-dichloro-3-ochtodene C10H14Br2Cl2 361.883931 NA MeJP NA NA +MJ045689 2,4-Dibromo-1-chloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane C10H14Br2Cl2 361.883931 NA MeJP NA NA +MJ045690 2-Bromo-1-(2-bromoethenyl)-4,5-dichloro-1,5-dimethylcyclohexane C10H14Br2Cl2 361.883931 NA MeJP NA NA +MJ045691 4,8-Dibromo-3,7-dichloro-3,7-dimethyl-1,5-octadiene C10H14Br2Cl2 361.883931 NA MeJP NA NA +MJ045692 6-Bromo-3-(bromomethyl)-2,3-dichloro-7-methyl-1,6-octadiene C10H14Br2Cl2 361.883931 NA MeJP NA NA +MJ045693 Ochtodene C10H14Br2Cl2 361.883931 NA MeJP NA NA +MJ045694 Tetrakis[?-(acetato-O:O')]dicopper C8H12Cu2O8 361.912419 NA MeJP NA NA +MJ045695 2-Hydroxy-4H-1,3,2-benzodioxabismin-4-one C7H5BiO4 361.999166 NA MeJP NA NA +C07870 Bismuth subsalicylate C7H5BiO4 361.9992 NA KEGG NA NA +MJ045696 Aliconazole C18H13Cl3N2 362.014431 NA MeJP NA NA +MJ045697 Coumafos C14H16ClO5PS 362.014458 NA MeJP NA NA +C11025 Coumaphos C14H16ClO5PS 362.0145 NA KEGG NA NA +MJ045698 5-Chloro-1,6-dihydroxy-8-methoxy-3-methylanthraquinone-2-carboxylic acid C17H11ClO7 362.01933 NA MeJP NA NA +MJ045699 Poiteol C15H20BrClO3 362.028434 NA MeJP NA NA +MJ045700 Palmarumycin C15; 3,6,7-Triketone C20H10O7 362.042652 NA MeJP NA NA +MJ045701 Preussomerin A; 1,1'-Diketone C20H10O7 362.042652 NA MeJP NA NA +MJ045702 Quinaphthin C20H10O7 362.042652 NA MeJP NA NA +MJ045703 Spiroxin D; 1-Ketone C20H10O7 362.042652 NA MeJP NA NA +MJ045704 3,6-Dichloro-2-[4-methyl-2-(1-methylethoxy)phenyl]-4H-1-benzopyran-4-one C19H16Cl2O3 362.047649 NA MeJP NA NA +MJ045705 Galactaric acid; 2-O-(3,4,5-Trihydroxybenzoyl) C13H14O12 362.048525 NA MeJP NA NA +MJ045706 1,3-Dihydro-1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-benzimidazol-2-one C15H8F6N2O2 362.048996 NA MeJP NA NA +C13833 NS 1619 C15H8F6N2O2 362.049 NA KEGG NA NA +MJ045707 Nalgiolaxin C18H15ClO6 362.055715 NA MeJP NA NA +MJ045708 Pannarin C18H15ClO6 362.055715 NA MeJP NA NA +MJ045709 Phthalylsulphacetamide C16H14N2O6S 362.057256 NA MeJP NA NA +MJ045710 Mexazolam C18H16Cl2N2O2 362.058883 NA MeJP NA NA +MJ045711 Sulfaclorazole C16H15ClN4O2S 362.060424 NA MeJP NA NA +FL5FEGNS0001 5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone C17H14O9 362.06378 101021-26-5 knapsack NA NA +FL5FEGNS0002 3,5,7,3',5'-Pentahydroxy-6,4'-dimethoxyflavone C17H14O9 362.06378 71328-59-1 knapsack NA NA +FL5FFGNS0008 5,8,3',4',5'-Pentahydroxy-3,7-dimethoxyflavone;5,8-Dihydroxy-3,7-dimethoxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C17H14O9 362.06378 220691-23-6 knapsack NA NA +FL5FGCNS0002 5,7,8,3',4'-Pentahydroxy-3,6-dimethoxyflavone C17H14O9 362.06378 96887-22-8 knapsack NA NA +FL5FGCNS0003 3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone C17H14O9 362.06378 96887-23-9 knapsack NA NA +MJ045712 3,3',4',5,5',6,7-Heptahydroxyflavone; 3,6-Di-Me ether C17H14O9 362.063782 NA MeJP NA NA +MJ045713 3,3',4',5,5',6,7-Heptahydroxyflavone; 4',6-Di-Me ether C17H14O9 362.063782 NA MeJP NA NA +MJ045714 3,3',4',5,6,7,8-Heptahydroxyflavone; 3,6-Di-Me ether C17H14O9 362.063782 NA MeJP NA NA +MJ045715 3,3',4',5,6,7,8-Heptahydroxyflavone; 6,8-Di-Me ether C17H14O9 362.063782 NA MeJP NA NA +MJ045716 Pinnatificin C16H24BrClO2 362.06482 NA MeJP NA NA +MJ045717 Fosphenytoin C16H15N2O6P 362.066772 NA MeJP NA NA +C07840 Fosphenytoin C16H15N2O6P 362.0668 NA KEGG NA NA +MJ045718 Broparestrol C22H19Br 362.067013 NA MeJP NA NA +MJ045719 Canaliculatin C21H14O6 362.079038 NA MeJP NA NA +MJ045720 Halenaquinol; 12,15-Quinone, 14-methoxy C21H14O6 362.079038 NA MeJP NA NA +MJ045721 Proflazepam C18H16ClFN2O3 362.083348 NA MeJP NA NA +MJ045722 altro-2-Heptulose, 7-(3,4,5-Trihydroxybenzoyl) C14H18O11 362.084911 NA MeJP NA NA +MJ045723 18-Bromo-9,15,17-octadecatriene-5,7-diynoic acid, Me ester C19H23BrO2 362.088142 NA MeJP NA NA +MJ045724 Piretanide C17H18N2O5S 362.093642 NA MeJP NA NA +FL2FEGNS0003 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone C18H18O8 362.10016 310888-07-4 knapsack NA NA +MJ045725 1,2,3,4,5,7-Hexahydroxyxanthone; 2,3,4,5,7-Penta-Me ether C18H18O8 362.100167 NA MeJP NA NA +MJ045726 1,2,3,4,6,8-Hexahydroxyxanthone; 1,2,3,4,6-Penta-Me ether C18H18O8 362.100167 NA MeJP NA NA +MJ045727 3',4',5,5',6,7-Hexahydroxyflavanone, 3',4',6-Tri-Me ether C18H18O8 362.100167 NA MeJP NA NA +MJ045728 3',4',5,6,7,8-Hexahydroxyflavanone; 6,7,8-Tri-Me ether C18H18O8 362.100167 NA MeJP NA NA +MJ045729 3,8-Dihydroxy-4-(2,3-dihydroxy-1-hydroxymethylpropyl)-1-methoxyxanthone C18H18O8 362.100167 NA MeJP NA NA +MJ045730 3-(3,4-Dihydroxybenzyl)-5,6,7,8-tetrahydroxy-4-chromanone; 7,8-Di-Me ether C18H18O8 362.100167 NA MeJP NA NA +MJ045731 Arizonin C3; 4,8-Di-O-de-Me C18H18O8 362.100167 NA MeJP NA NA +MJ045732 Arizonin C3; 4,9-Di-O-de-Me C18H18O8 362.100167 NA MeJP NA NA +MJ045733 Crotepoxide C18H18O8 362.100167 NA MeJP NA NA +MJ045734 Decarboxyhypothamnolic acid C18H18O8 362.100167 NA MeJP NA NA +MJ045735 Erythrostominone; 4-Me ether C18H18O8 362.100167 NA MeJP NA NA +MJ045736 Flagranone B C18H18O8 362.100167 NA MeJP NA NA +MJ045737 Hypoalectorialic acid C18H18O8 362.100167 NA MeJP NA NA +MJ045738 Lepraric acid C18H18O8 362.100167 NA MeJP NA NA +C06327 Chelirubine C21H16NO5 362.1028 NA KEGG NA NA +MJ045739 Chelirubine C21H16NO5 362.102847 NA MeJP NA NA +MJ045740 Picafibrate C18H19ClN2O4 362.103334 NA MeJP NA NA +PJ000541 NDD C12H18N4O9 362.1074 NA PeJP NA NA +MJ045741 Rimazolium(1+), Methylsulfate C14H22N2O7S 362.114771 NA MeJP NA NA +FL2FA9NC0001 Isochamanetin C22H18O5 362.11542 58777-17-6 knapsack NA NA +FL2FA9NC0002 Chamanetin C22H18O5 362.11542 58801-43-7 knapsack NA NA +MJ045742 9,10-Dihydro-2,4,7-trihydroxy-1-(4-hydroxybenzoyl)phenanthrene; 4-Me ether C22H18O5 362.115423 NA MeJP NA NA +MJ045743 Antibiotic SS 43405E C22H18O5 362.115423 NA MeJP NA NA +MJ045744 Apollinine C22H18O5 362.115423 NA MeJP NA NA +MJ045745 Chamanetin C22H18O5 362.115423 NA MeJP NA NA +MJ045746 Disparfuran B C22H18O5 362.115423 NA MeJP NA NA +MJ045747 Howiinin A C22H18O5 362.115423 NA MeJP NA NA +MJ045748 Isochamanetin C22H18O5 362.115423 NA MeJP NA NA +MJ045749 Isodisparfuran A C22H18O5 362.115423 NA MeJP NA NA +MJ045750 Antirrhinoside C15H22O10 362.121296 NA MeJP NA NA +MJ045751 Catalpol C15H22O10 362.121296 NA MeJP NA NA +MJ045752 Crescentoside C; 6?,7?-Epoxide C15H22O10 362.121296 NA MeJP NA NA +MJ045753 Decaloside; 7?,8?-Epoxide C15H22O10 362.121296 NA MeJP NA NA +MJ045754 Harpagide; 3'-Ketone C15H22O10 362.121296 NA MeJP NA NA +MJ045755 Monomelittoside C15H22O10 362.121296 NA MeJP NA NA +MJ045756 Procumboside C15H22O10 362.121296 NA MeJP NA NA +MJ045757 Scabrogenin, 1-O-?-D-Glucopyranoside C15H22O10 362.121296 NA MeJP NA NA +MJ045758 Virginioside C15H22O10 362.121296 NA MeJP NA NA +C09768 Antirrhinoside C15H22O10 362.1213 NA KEGG NA NA +C09773 Catalpol C15H22O10 362.1213 NA KEGG NA NA +PJ000542 GSPC C13H22N4O6S 362.126 NA PeJP NA NA +MJ045759 Zanthobisquinolone C21H18N2O4 362.126657 NA MeJP NA NA +MJ045760 Besunide C18H22N2O4S 362.130027 NA MeJP NA NA +FLIC4LNS0002 Machaerol B;6,2'-Dihydroxy-7,8,3',4'-tetramethoxyisoflavan C19H22O7 362.13655 51798-42-6 knapsack NA NA +MJ045761 1,10:14,15-Diepoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045762 1,15-Dihydroxy-4,9,11(13)-germacratriene-12,6:14,8-diolide, 1-(2-Methylpropanoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045763 1,3,13-Trihydroxy-4,7(11),10(14)-germacratrien-12,6-olide, 1-Ketone, di-Ac C19H22O7 362.136553 NA MeJP NA NA +MJ045764 1,8,15-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 1-Ketone, 8,15-di-Ac C19H22O7 362.136553 NA MeJP NA NA +MJ045765 1,8,15-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 2-Ketone, 8,15-di-Ac C19H22O7 362.136553 NA MeJP NA NA +MJ045766 1,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045767 2',3',4',5',7,8-Hexahydroxyflavan, 3',4',5',7-Tetra-Me ether C19H22O7 362.136553 NA MeJP NA NA +MJ045768 2',3',4',5',7,8-Hexahydroxyisoflavan, 2',4',5',8-Tetra Me ether C19H22O7 362.136553 NA MeJP NA NA +MJ045769 2',3',4',6,7,8-Hexahydroxyisoflavan; 3',4',7,8-Tetra-Me ether C19H22O7 362.136553 NA MeJP NA NA +MJ045770 2,15:4,5-Diepoxy-8,15-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045771 2,3,8-Trihydroxy-4(15),10(14),11(13)guaiatrien-12,6-olide, 4?,15-Epoxide, 8-(2-methylpropenoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045772 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-(2,3-Dihydroxy-2-methylbutanoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045773 3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 1-Ketone, 8-(2-methylpropenoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045774 3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045775 3,10-Epoxy-8,9-dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045776 3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(Methylpropanoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045777 3,11-Tridecadiene-5,7,9-triyne-1,2-diol, 2-O-?-D-Glucopyranoside C19H22O7 362.136553 NA MeJP NA NA +MJ045778 3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 3-Me ether C19H22O7 362.136553 NA MeJP NA NA +MJ045779 3,3',4,4',7,8-Hexahydroxyflavan, 3',4',7,8-Tetra-Me ether C19H22O7 362.136553 NA MeJP NA NA +MJ045780 3,3',4,4',7,8-Hexahydroxyflavan, 3',4,7,8-Tetra-Me ether C19H22O7 362.136553 NA MeJP NA NA +MJ045781 4,15-Epoxy-1,3,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045782 4,15-Epoxy-3,8-dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl)(R-) C19H22O7 362.136553 NA MeJP NA NA +MJ045783 4,15-Epoxy-3,8-dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl)(S-) C19H22O7 362.136553 NA MeJP NA NA +MJ045784 4,15-Epoxy-3,8-dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045785 4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradiene-12,6;14,2-diolide, 8-(2-Methylpropanoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045786 4,5:7,10-Diepoxy-8-hydroxy-1-oxo-11(13)-germacren-12,6-olide, 8-(2-Methylpropenoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045787 4,8,13-Trihydroxy-1,1(10),5,7(11)-germacratetraen-12,6-olide, 8,13-Di-Ac C19H22O7 362.136553 NA MeJP NA NA +MJ045788 4,8,9-Trihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide, 8,9-Di-Ac C19H22O7 362.136553 NA MeJP NA NA +MJ045789 5,8-Dihydroxy-14-oxo-4(15),9,11(13)-germacratrien-12,6-olide, 4?,15-Epoxide, 8-(2-methylpropenoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045790 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1S,2-Epoxide, 6-(2-methylpropenoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045791 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1S,2-Epoxide, 9-(2-methylpropenoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045792 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1R,2-Epoxide, 6-(2-methylpropenoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045793 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, Di-Ac C19H22O7 362.136553 NA MeJP NA NA +MJ045794 8,12:15,16-Diepoxy-2-hydroxy-19-nor-13(16),14-clerodadien-17,6-olid-18-oic acid C19H22O7 362.136553 NA MeJP NA NA +MJ045795 8,13-Dihydroxy-1,1(10),4,7(11)-germacratetraen-12,6-olide, 4?,5?-Epoxide, di-Ac C19H22O7 362.136553 NA MeJP NA NA +MJ045796 8,13-Dihydroxy-1-oxo-4,7(11),10(14)-germacratrien-12,6-olide, 8,13-Di-Ac C19H22O7 362.136553 NA MeJP NA NA +MJ045797 8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 4?,5?-Epoxide, 8-(2-methyl-2-propenoyl) C19H22O7 362.136553 NA MeJP NA NA +MJ045798 Antibiotic LL-Z1640-2 C19H22O7 362.136553 NA MeJP NA NA +MJ045799 Bis(2-hydroxy-4,6-dimethoxy-3-methylphenyl)methanone C19H22O7 362.136553 NA MeJP NA NA +MJ045800 Eremantholide C; 15-Hydroxy C19H22O7 362.136553 NA MeJP NA NA +MJ045801 Excavatin D, 2'?,3'?-Dihydroxy, 2',3',6',7'-tetrahydro C19H22O7 362.136553 NA MeJP NA NA +MJ045802 Gibberellin A20; 1?-Hydroxy, 2?,3?-epoxide C19H22O7 362.136553 NA MeJP NA NA +MJ045803 Gibberellin A21 C19H22O7 362.136553 NA MeJP NA NA +MJ045804 Gibberellin A33 C19H22O7 362.136553 NA MeJP NA NA +MJ045805 Gibberellin A3; 12?-Hydroxy C19H22O7 362.136553 NA MeJP NA NA +MJ045806 Gibberellin A49; 12-Ketone C19H22O7 362.136553 NA MeJP NA NA +MJ045807 Ligstral C19H22O7 362.136553 NA MeJP NA NA +MJ045808 Nagilactone C C19H22O7 362.136553 NA MeJP NA NA +MJ045809 Ovalifolienal; 8-Oxo C19H22O7 362.136553 NA MeJP NA NA +MJ045810 Phomosine B C19H22O7 362.136553 NA MeJP NA NA +MJ045811 Purdilactone C C19H22O7 362.136553 NA MeJP NA NA +MJ045812 Samaderine C; 2-Ketone C19H22O7 362.136553 NA MeJP NA NA +MJ045813 Scorpiolide C19H22O7 362.136553 NA MeJP NA NA +MJ045814 Shinjulactone B C19H22O7 362.136553 NA MeJP NA NA +MJ045815 Verafinin C C19H22O7 362.136553 NA MeJP NA NA +MJ045816 Vernolepin, 11?,13-Dihydro, 2-hydroxymethyl-2-propenoyl C19H22O7 362.136553 NA MeJP NA NA +MJ045817 Zinaflorin IV; O6-Deacyl, O6-(2-methylpropenoyl) C19H22O7 362.136553 NA MeJP NA NA +MetaCyc03193 GA8-catabolite [gibberellin A8-catabolite;gibberellin A8-catabolite;GA8-catabolite;] C19H22O7 362.136553 NA metacyc NA NA +C09138 Nagilactone C C19H22O7 362.1366 NA KEGG NA NA +C09583 Vernolide C19H22O7 362.1366 NA KEGG NA NA +C11870 Gibberellin A8-catabolite C19H22O7 362.1366 NA KEGG NA NA +MJ045818 Marbofloxacin C17H19FN4O4 362.139033 NA MeJP NA NA +MJ045819 Pandangolide 3 C16H26O7S 362.139923 NA MeJP NA NA +MJ045820 Clavamycin B C13H22N4O8 362.143763 NA MeJP NA NA +MJ045821 Clavamycin C C13H22N4O8 362.143763 NA MeJP NA NA +C17362 Clavamycin B C13H22N4O8 362.1438 NA KEGG NA NA +C17363 Clavamycin C C13H22N4O8 362.1438 NA KEGG NA NA +PJ000543 SQE C13H22N4O8 362.1438 NA PeJP NA NA +7490 ACE inhibitor GTW 362.147 antioxidative Inhouse_peptide NA peptide +MJ045822 1-(4-Hydroxybenzyl)-2,4,7-phenanthrenetriol; 9,10-Dihydro, 2,4-di-Me ether C23H22O4 362.151809 NA MeJP NA NA +MJ045823 6-Benzoyl-5-hydroxy-2,2,8,8-tetramethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran C23H22O4 362.151809 NA MeJP NA NA +MJ045824 Hexatroxanone C23H22O4 362.151809 NA MeJP NA NA +MJ045825 5,8-Dihydroxy-2,6-dimethyl-2,6-octadienoic acid, ?-D-Glucopyranosyl ester C16H26O9 362.157682 NA MeJP NA NA +MJ045826 Amplexin; 2-O-?-D-Glucopyranoside C16H26O9 362.157682 NA MeJP NA NA +MJ045827 Gelsemiol; 1-O-?-D-Glucopyranoside C16H26O9 362.157682 NA MeJP NA NA +MJ045828 Gelsemiol; 3-O-?-D-Glucopyranoside C16H26O9 362.157682 NA MeJP NA NA +MJ045829 Gibboside C16H26O9 362.157682 NA MeJP NA NA +MJ045830 Lamiol; 5-Deoxy C16H26O9 362.157682 NA MeJP NA NA +MJ045831 Lamiol; 8-Deoxy C16H26O9 362.157682 NA MeJP NA NA +MJ045832 Patriscabrol; 4-Epimer, 7-O-?-D-glucopyranoside C16H26O9 362.157682 NA MeJP NA NA +MJ045833 Patriscabrol; 4-Epimer, 8-O-?-D-glucopyranoside C16H26O9 362.157682 NA MeJP NA NA +MJ045834 Patriscabrol; 7-O-?-D-Glucopyranoside C16H26O9 362.157682 NA MeJP NA NA +MJ045835 Patriscabrol; 8-O-?-D-Glucopyranoside C16H26O9 362.157682 NA MeJP NA NA +MJ045836 Suspensoside A C16H26O9 362.157682 NA MeJP NA NA +MJ045837 Villosol; 8-O-?-D-Glucopyranoside C16H26O9 362.157682 NA MeJP NA NA +PJ000544 GTW C17H22N4O5 362.159 NA PeJP NA NA +PJ000545 VNM C14H26N4O5S 362.1624 NA PeJP NA NA +MJ045838 Chlormadinone C21H27ClO3 362.164872 NA MeJP NA NA +MJ045839 Cismadinone C21H27ClO3 362.164872 NA MeJP NA NA +MJ045840 Puupehenol; 21-Chloro C21H27ClO3 362.164872 NA MeJP NA NA +MJ045841 Puupehenone; 21-Chloro C21H27ClO3 362.164872 NA MeJP NA NA +C11709 DU 122290 C19H26N2O3S 362.1664 NA KEGG NA NA +MJ045842 Thyroliberin C16H22N6O4 362.170253 NA MeJP NA NA +HMDB05763 Thyrotropin-releasing factor C16H22N6O4 362.170258 NA HMDB2010 NA NA +HMDB05763 Thyrotropin-releasing factor C16H22N6O4 362.17026 http://www.hmdb.ca/metabolites/HMDB05763 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05763 Thyrotropin-releasing factor C16H22N6O4 362.17026 http://www.hmdb.ca/metabolites/HMDB05763 HMDB NA NA +HMDB05763 Thyrotropin-releasing factor C16H22N6O4 362.17026 NA ;SYN:(S)-2,4-diamino-Butanoic acid; L-2,4-diamino-Butyric acid; (S)-2,4-Diaminobutyric acid; L-2,4-Diamino-n-butyric acid; L-2,4-Diaminobutanoic acid; L-2,4-Diaminobutyric acid; L-DABA; L-alpha,gamma-Diaminobutyric acid; (S)-2,4-diamino-Butanoate; L-2,4-DiaminobutanoateH2Blood; Urine Inhouse_peptide NA peptide +HMDB05763 Thyrotropin-releasing factor C16H22N6O4 362.17026 http://www.hmdb.ca/metabolites/HMDB05763 PFEM_hmdb_metabocards_blood NA blood +HMDB05763 Thyrotropin-releasing factor C16H22N6O4 362.17026 HMDB05763 PFEM_hmdb_metabocards_official NA NA +C03958 Thyrotropin-releasing hormone C16H22N6O4 362.1703 NA KEGG NA NA +C03959 [DNA-directed RNA polymerase] C16H22N6O4 362.1703 NA KEGG NA NA +C03960 alpha-xylo-1,6-beta-D-Glucose C16H22N6O4 362.1703 NA KEGG NA NA +C02034 Gibberellin A19 C20H26O6 362.1729 NA KEGG NA NA +C09090 Enmein C20H26O6 362.1729 NA KEGG NA NA +C09184 Shikodonin C20H26O6 362.1729 NA KEGG NA NA +C09395 Desacetyleupaserrin C20H26O6 362.1729 NA KEGG NA NA +C09442 Eupatoriopicrin C20H26O6 362.1729 NA KEGG NA NA +C09451 Fastigilin B C20H26O6 362.1729 NA KEGG NA NA +C09474 Heliangin C20H26O6 362.1729 NA KEGG NA NA +C11862 Gibberellin A36 C20H26O6 362.1729 NA KEGG NA NA +C18167 Secoisolariciresinol C20H26O6 362.1729 NA KEGG NA NA +C18168 Diacylglycerylhomoserine C9H13NO7R2 362.1729 NA KEGG NA NA +C18169 Diacylglyceryl-N,N,N-trimethylhomoserine C12H19NO7R2 362.1729 NA KEGG NA NA +MJ045843 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045844 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045845 1,10-Epoxy-5,8-dihydroxy-4(15),11(13)-germacradien-12,6-olide, Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045846 1,10-Epoxy-6,8-dihydroxy-7(11)-eremophilen-12,8-olide, 6-(3-Methyl-2-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045847 1,10-Epoxy-6,8-dihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045848 1,10-Epoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045849 1,10-Epoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045850 1,11-Dihydroxy-2-oxo-3-eudesmen-12,6-olide, 11-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045851 1,11-Dihydroxy-2-oxo-3-eudesmen-12,6-olide, 11-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045852 1,11-Dihydroxy-3-oxo-4-eudesmen-12,6-olide, 11-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045853 1,11-Epidioxy-11,19-dihydroxy-8,12-abietadiene-3,14-dione C20H26O6 362.172938 NA MeJP NA NA +MJ045854 1,2-Bis(3,4,5-trihydroxyphenyl)ethane; Hexa-Me ether C20H26O6 362.172938 NA MeJP NA NA +MJ045855 1,2:3,4-Diepoxy-11-hydroxy-12,6-eudesmanolide, 11-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045856 1,2:3,4-Diepoxy-11-hydroxy-12,6-eudesmanolide, 11-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045857 1,3,8-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045858 1,3,8-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045859 1,3,8-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045860 1,3,8-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045861 1,3,8-Trihydroxy-4,11(13)-eudesmadien-12,6-olide, 8-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045862 1,3,8-Trihydroxy-4,9,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045863 1,3-Dihydroxy-2-oxo-3,11(13)-eudesmadien-12,8-olide, 3-O-(2-Methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045864 1,6,10-Trihydroxyfuranoeremophilan-9-one, 6-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045865 1,6,8-Trihydroxy-7(11),9-eremophiladien-12,8-olide, 6-(3-Methyl-2-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045866 1,7-Dihydroxy-3,13-clerodadiene-18,19:16,15-diolide C20H26O6 362.172938 NA MeJP NA NA +MJ045867 1,8,13-Trihydroxy-4(15),7(11)-eudesmadien-12,6-olide, 8-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045868 1,8,9-Trihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(3-Methyl-2-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045869 1,8,9-Trihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045870 1,8,9-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(3-Methyl-2-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045871 1,8,9-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045872 1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045873 1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(2-Hydroxymethyl-2-butenoyl)(Z-) C20H26O6 362.172938 NA MeJP NA NA +MJ045874 1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(3-Hydroxy-2-methylenebutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045875 1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045876 1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045877 1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(3-Hydroxy-2-methylenebutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045878 1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045879 1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Hydroperoxide, 8-angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045880 1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045881 1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 8-(3-Hydroxy-2-methylenebutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045882 1,9-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 3?,4?-Epoxide, 1-angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045883 11,12,14-Trihydroxy-7-oxo-3,4-seco-4(18),8,11,13-abietatetraen-3-oic acid C20H26O6 362.172938 NA MeJP NA NA +MJ045884 11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; 16-Hydroxy C20H26O6 362.172938 NA MeJP NA NA +MJ045885 11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; enol-form, 16-Hydroxy (15R-) C20H26O6 362.172938 NA MeJP NA NA +MJ045886 11,20-Epoxy-7,11,14-trihydroxy-15-oxo-16-kauren-18-al C20H26O6 362.172938 NA MeJP NA NA +MJ045887 12,16-Dihydroxy-3,13-clerodadiene-15,16:18,6-diolide C20H26O6 362.172938 NA MeJP NA NA +MJ045888 13-Hydroxy-7-oxo-8-labdene-15,16:19,6-diolide C20H26O6 362.172938 NA MeJP NA NA +MJ045889 15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8,17-Didehydro C20H26O6 362.172938 NA MeJP NA NA +MJ045890 15,16-Epoxy-3,4-dihydroxy-7-oxo-13(16),14-clerodadien-20,12-olide C20H26O6 362.172938 NA MeJP NA NA +MJ045891 15,16-Epoxy-6,18,19-trihydroxy-3,13(16),14-clerodatrien-20,12-olide C20H26O6 362.172938 NA MeJP NA NA +MJ045892 15,16:18,19-Diepoxy-6,18-dihydroxy-13(16),14-clerodadien-20,12-olide C20H26O6 362.172938 NA MeJP NA NA +MJ045893 16-(1-Methyl-1-propenyl)eremantholanolide, 4?,5-Dihydro C20H26O6 362.172938 NA MeJP NA NA +MJ045894 17(15?16),19(4?3)-Bis(abeo)-6,7,16-trihydroxyroyleanone C20H26O6 362.172938 NA MeJP NA NA +MJ045895 17-Hydroxy-2,3-seco-13(16),14-spongiadien-2,3-olid-18-oic acid C20H26O6 362.172938 NA MeJP NA NA +MJ045896 19,20-Epoxy-7,12,19-trihydroxy-8,12-abietadiene-11,14-dione C20H26O6 362.172938 NA MeJP NA NA +MJ045897 2,12-Dihydroxy-3,13-clerodadiene-15,16:18,19-diolide C20H26O6 362.172938 NA MeJP NA NA +MJ045898 2,3,14-Trihydroxyvetispiranolide, 14-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045899 2,3,8-Trihydroxy-4(15),10(14),11(13)guaiatrien-12,6-olide, 2-(2-Methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045900 2,3-Epoxy-4,6-dihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045901 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone, 6-angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045902 2,7-Dihydroxy-3,13-clerodadiene-16,15:18,19-diolide C20H26O6 362.172938 NA MeJP NA NA +MJ045903 2,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045904 2,8,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045905 2,8,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045906 2,8,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 2-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045907 2,8,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 2-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045908 2,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Methyl-2-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045909 2,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045910 2,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045911 2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045912 2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2R,3R-Epoxy-2-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045913 2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3S-Hydroxy-2-methylenebutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045914 3,10-Epoxy-3,8-dihydroxy-1,4,11(13)-germacratrien-12,6-olide, 3-Me ether, 8-(2-methylpropanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045915 3,10-Epoxy-3,8-dihydroxy-1,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045916 3,11,12,14-Tetrahydroxy-8,11,13-abietatriene-6,7-dione; 3?-enol-form C20H26O6 362.172938 NA MeJP NA NA +MJ045917 3,11,12,14-Tetrahydroxy-8,11,13-abietatriene-6,7-dione C20H26O6 362.172938 NA MeJP NA NA +MJ045918 3,20:14,16-Diepoxy-3,15-dihydroxy-7-pimaren-19,6-olide C20H26O6 362.172938 NA MeJP NA NA +MJ045919 3,3',4,4',5,5'-Hexahydroxylignan, 3,3'-Di-Me ether C20H26O6 362.172938 NA MeJP NA NA +MJ045920 3,3',4,4',9,9'-Hexahydroxylignan, 3',4'-Di-Me ether C20H26O6 362.172938 NA MeJP NA NA +MJ045921 3,4,9-Trihydroxy-1(10)-guaien-12,8-olide, 9-Ketone, 3-angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045922 3,4,9-Trihydroxy-1(10)-guaien-12,8-olide, 9-Ketone, 3-tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045923 3,4-Dihydroxy-7(11),8-eudesmadien-12,8-olide, 3-O-(2,3-Epoxy-2-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045924 3,4-Epoxy-1,11-dihydroxy-7(14),9-bisaboladiene-2,8-dione, 1-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045925 3,4:15,16-Diepoxy-6,10-dihydroxy-13(16),14-clerodadien-20,12-olide C20H26O6 362.172938 NA MeJP NA NA +MJ045926 3,4:18,19-Diepoxy-18,19-dihydroxy-13-cleroden-15,16-olide, 18-Ketone (lactone) C20H26O6 362.172938 NA MeJP NA NA +MJ045927 3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 10?,14-Epoxide, 3-(2-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045928 3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 10?,14?-Epoxide, 3-O-(2-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045929 3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 10?,14?-Epoxide, 3-O-(3-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045930 3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 3-Ketone, 6-angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045931 3,6:6,11-Diepoxy-3,12-dihydroxy-4,7,15-cembratrien-20,10-olide C20H26O6 362.172938 NA MeJP NA NA +MJ045932 3,8,10-Trihydroxy-1,4,11(13)-germacratrien-12,6-olide, 3-Ketone, 8-(2-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045933 3,8,10-Trihydroxy-1,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045934 3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045935 3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045936 3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-Aldehyde, 8-(2-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045937 3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045938 3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045939 3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Methyl-2-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045940 3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045941 3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(3-Methyl-2-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045942 3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045943 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045944 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045945 4,11-Dihydroxy-1-oxo-2-eudesmen-12,6-olide, 11-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045946 4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045947 4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045948 4,18:15,16-Diepoxy-6,12-dihydroxy-13(16),14-clerodadien-20,19-olide C20H26O6 362.172938 NA MeJP NA NA +MJ045949 4,5-Epoxy-2,8-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045950 4,5-Epoxy-2,8-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 8-(3-Methyl-2-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045951 4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045952 4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 9-(3-Methyl-2-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045953 4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 9-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045954 4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045955 4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045956 4,6-Dihydroxyfuranoeremophilan-9-one, 6-(2,3-Epoxy-2-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045957 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-Me ether, 5-O-(3-methyl-2-butenyl), 8-O-(4-hydroxy-3-methylbutyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045958 5,8-Epoxy-3,6,10-trioxo-18-norcembra-12,15-dien-20-oic acid; Me ester C20H26O6 362.172938 NA MeJP NA NA +MJ045959 6,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 6-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045960 6,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(2-Hydroxymethyl-2E-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045961 6,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(4-Hydroxy-2-methyl-2E-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045962 6,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 6-(4-Hydroxy-2-methyl-2E-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045963 6,7,11,12,16-Pentahydroxy-8,11,13-abietatrien-20-oic acid, 20?7 Lactone C20H26O6 362.172938 NA MeJP NA NA +MJ045964 6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 8-(2-Methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045965 6,8:15,16-Diepoxy-12,18-dihydroxy-13(16),14-clerodadien-20,19-olide C20H26O6 362.172938 NA MeJP NA NA +MJ045966 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro, 6-(3-methyl-2-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045967 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro, 6-tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045968 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro, 6-(3-methyl-2-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045969 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro, 6-angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045970 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 6-(2-Methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045971 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 6-(3-Methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045972 6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, O-(3-Hydroxy-2-methylenebutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045973 6-Hydroxysecomacrolide, 6-O-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045974 6-Hydroxysecomacrolide, 6-O-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045975 6-Hydroxysecomacrolide, 8-Epimer, 6-O-angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045976 6-Hydroxysecomacrolide, 8-Epimer, 6-O-tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045977 6-Methoxymarmin C20H26O6 362.172938 NA MeJP NA NA +MJ045978 7,11,12,16-Tetrahydroxy-8,11,13-abietatrien-20,6-olide C20H26O6 362.172938 NA MeJP NA NA +MJ045979 7,11,12-Trihydroxy-6-oxo-8,11,13-abietatrien-20-oic acid C20H26O6 362.172938 NA MeJP NA NA +MJ045980 7,12,14-Trihydroxy-11,15-dioxo-16-kauren-18-al C20H26O6 362.172938 NA MeJP NA NA +MJ045981 7,12-Dihydroxy-11,14-dioxo-8,12-abietadien-18-oic acid; 7?-form C20H26O6 362.172938 NA MeJP NA NA +MJ045982 7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Methyl-2-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045983 7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045984 7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(3-Methyl-2-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045985 7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045986 7,8,9-Trihydroxy-1,3-elemadien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045987 7,8,9-Trihydroxy-1,3-elemadien-12,6-olide, 9-(3-Methyl-2-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045988 7,8,9-Trihydroxy-1,3-elemadien-12,6-olide, 9-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045989 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(6,7-Dihydroxy-3,7-dimethyl-2-octenyl)(2E,6S-), O8-Me C20H26O6 362.172938 NA MeJP NA NA +MJ045990 7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(6,7-Dihydroxy-3-methylene-7-methyloctyl), O7-Me C20H26O6 362.172938 NA MeJP NA NA +MJ045991 7,8:8,12:11,12-Triepoxy-1(10)-eremophilene-3,6-diol, 6-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045992 8,10-Dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045993 8,10-Dihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045994 8,10-Dihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Tigloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045995 8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045996 8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045997 8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(3-Hydroxy-2-methylenebutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ045998 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ045999 8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2-butenoyl)(E-) C20H26O6 362.172938 NA MeJP NA NA +MJ046000 8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethyl-2-butenoyl) (E-) C20H26O6 362.172938 NA MeJP NA NA +MJ046001 8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046002 8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethyl-2-butenoyl) (E-) C20H26O6 362.172938 NA MeJP NA NA +MJ046003 8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046004 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2-butenoyl) (E-) C20H26O6 362.172938 NA MeJP NA NA +MJ046005 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2-butenoyl) (Z-) C20H26O6 362.172938 NA MeJP NA NA +MJ046006 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-3-methyl-2E-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046007 8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, 8-(2-hydroxymethyl-2E-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046008 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046009 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046010 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046011 8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ046012 8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ046013 8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ046014 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2R,3R-Epoxy-2-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046015 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Ketone, 11?,13-dihydro, O-(2,3-epoxy-2-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046016 8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046017 8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2-Methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046018 8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Me ether, 8-(2-methylpropanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046019 8,9-Dihydroxy-2-oxo-3,11(13)-germacradien-12,6-olide, 9-Angeloyl C20H26O6 362.172938 NA MeJP NA NA +MJ046020 8,9-Dihydroxymontahibisciolide, 8-(2,3-Epoxy-2-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046021 8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether, 2'-O-(3-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046022 8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, O-(4-hydroxy-2-hydroxymethyl-2Z-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046023 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 2-Methylbutanoyl C20H26O6 362.172938 NA MeJP NA NA +MJ046024 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046025 8-Hydroxy-1,3,11(13)-elematrien-12,6-olide, 8-[4-Hydroxy-2-(hydroxymethyl)-2E-butenoyl] C20H26O6 362.172938 NA MeJP NA NA +MJ046026 8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 4?,5?-Epoxide, 8-(3-methylbutanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046027 8-Hydroxy-3-oxo-1(10),11(13)-germacradien-12,6-olide, O-(2-Hydroxymethyl-2Z-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046028 8-Hydroxy-7-oxo-3-clerodene-15,16:18,19-diolide C20H26O6 362.172938 NA MeJP NA NA +MJ046029 9,10-Epoxy-5,6-dihydroxy-3,11(13)-germacradien-12,8-olide, 6-(3-Methyl-2-butenoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046030 9,10-Epoxy-p-mentha-1,3,5-triene-2,5,8-triol; 2-Me ether, 5-tigloyl, 8-(2-methylpropanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046031 9,10-Epoxy-p-mentha-1,3,5-triene-2,5,8-triol; 2-Me ether, 8-tigloyl, 5-(2-methylpropanoyl) C20H26O6 362.172938 NA MeJP NA NA +MJ046032 Annonalide C20H26O6 362.172938 NA MeJP NA NA +MJ046033 Bipinnatolide I C20H26O6 362.172938 NA MeJP NA NA +MJ046034 Conacytone C20H26O6 362.172938 NA MeJP NA NA +MJ046035 Coralloidolide D C20H26O6 362.172938 NA MeJP NA NA +MJ046036 Eeniolide C20H26O6 362.172938 NA MeJP NA NA +MJ046037 Ememodin C20H26O6 362.172938 NA MeJP NA NA +MJ046038 Enmein C20H26O6 362.172938 NA MeJP NA NA +MJ046039 Eremantholide B C20H26O6 362.172938 NA MeJP NA NA +MJ046040 Geniculol C20H26O6 362.172938 NA MeJP NA NA +MJ046041 Gibberellin A19 C20H26O6 362.172938 NA MeJP NA NA +MJ046042 Gibberellin A24; 12?-Hydroxy C20H26O6 362.172938 NA MeJP NA NA +MJ046043 Gibberellin A24; 12?-Hydroxy C20H26O6 362.172938 NA MeJP NA NA +MJ046044 Gibberellin A24; 15?-Hydroxy C20H26O6 362.172938 NA MeJP NA NA +MJ046045 Gibberellin A24; 3?-Hydroxy C20H26O6 362.172938 NA MeJP NA NA +MJ046046 Gibberellin A25 C20H26O6 362.172938 NA MeJP NA NA +MJ046047 Gibberellin A27 C20H26O6 362.172938 NA MeJP NA NA +MJ046048 Gibberellin A44; 12?-Hydroxy C20H26O6 362.172938 NA MeJP NA NA +MJ046049 Gibberellin A44; 15?-Hydroxy C20H26O6 362.172938 NA MeJP NA NA +MJ046050 Gibberellin A44; 2?-Hydroxy C20H26O6 362.172938 NA MeJP NA NA +MJ046051 Gibberellin A44; 3?-Hydroxy C20H26O6 362.172938 NA MeJP NA NA +MJ046052 Guidongnin C20H26O6 362.172938 NA MeJP NA NA +MJ046053 Klaineanone; 11-Ketone C20H26O6 362.172938 NA MeJP NA NA +MJ046054 Ludongnin A C20H26O6 362.172938 NA MeJP NA NA +MJ046055 Nodosin C20H26O6 362.172938 NA MeJP NA NA +MJ046056 Phyllostachysin A C20H26O6 362.172938 NA MeJP NA NA +MJ046057 Ponicidin C20H26O6 362.172938 NA MeJP NA NA +MJ046058 Pyrrhopappolide; 6?-Hydroxy C20H26O6 362.172938 NA MeJP NA NA +MJ046059 Rhoiptelol C C20H26O6 362.172938 NA MeJP NA NA +MJ046060 Schkuhripinnatolide A C20H26O6 362.172938 NA MeJP NA NA +MJ046061 Sculponeatin B C20H26O6 362.172938 NA MeJP NA NA +MJ046062 Secochiliolide aldehyde; 19-Hydroxy, 3-carboxylic acid C20H26O6 362.172938 NA MeJP NA NA +MJ046063 Secoeeniolide C20H26O6 362.172938 NA MeJP NA NA +MJ046064 Secoisolariciresinol C20H26O6 362.172938 NA MeJP NA NA +MJ046065 Secomacrotolide; 6?-Angeloyloxy C20H26O6 362.172938 NA MeJP NA NA +MJ046066 Secomacrotolide; 6?-Tigloyloxy C20H26O6 362.172938 NA MeJP NA NA +MJ046067 Seconidorella lactone C20H26O6 362.172938 NA MeJP NA NA +MJ046068 Sesebrinic acid C20H26O6 362.172938 NA MeJP NA NA +MJ046069 Sesibiricol; 3',4'-Dihydro, 3'-hydroxy C20H26O6 362.172938 NA MeJP NA NA +MJ046070 Shikodonin C20H26O6 362.172938 NA MeJP NA NA +MJ046071 Tepolin A; 7-Deoxy C20H26O6 362.172938 NA MeJP NA NA +MJ046072 Teucroxide; 12-Epimer, 2-deoxy C20H26O6 362.172938 NA MeJP NA NA +MJ046073 Teucroxide; 2-Deoxy C20H26O6 362.172938 NA MeJP NA NA +MJ046074 Teumicropin C20H26O6 362.172938 NA MeJP NA NA +MJ046075 Teupolin III C20H26O6 362.172938 NA MeJP NA NA +MJ046076 Teupolin V C20H26O6 362.172938 NA MeJP NA NA +MJ046077 Teusalvin E; 2-Deoxy C20H26O6 362.172938 NA MeJP NA NA +MJ046078 Trichorabdal E; 3-Deacetoxy C20H26O6 362.172938 NA MeJP NA NA +MetaCyc03194 GA19 [gibberellin A19;gibberellin A19;GA19;] C20H26O6 362.172939 NA metacyc NA NA +MetaCyc03195 GA25 [gibberellin A25;gibberellin A25;GA25;] C20H26O6 362.172939 NA metacyc NA NA +MetaCyc03196 GA36 [gibberellin A36;gibberellin A36;GA36;] C20H26O6 362.172939 NA metacyc NA NA +PJ000546 GMR C13H26N6O4S 362.1736 NA PeJP NA NA +MJ046079 Mesulergine C18H26N4O2S 362.177646 NA MeJP NA NA +PJ000547 SKE C14H26N4O7 362.1802 NA PeJP NA NA +MJ046080 Saussureamine C C19H26N2O5 362.184171 NA MeJP NA NA +MJ046081 2-Hydroxy-21-tetracosene-3,12,14,16,23-pentaynoic acid C24H26O3 362.188194 NA MeJP NA NA +MJ046082 23-Oxo-3,5,7,9,11,13,15,17,19,21-tetracosadecaenoic acid C24H26O3 362.188194 NA MeJP NA NA +MJ046083 4-Hydroxy-6-[(1-phenylmethyl)propyl]-3-(1-phenylpropyl)-2H-pyran-2-one C24H26O3 362.188194 NA MeJP NA NA +C15309 17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione C21H27FO4 362.1893 NA KEGG NA NA +PJ000548 STR C13H26N6O6 362.1914 NA PeJP NA NA +PJ000549 CLK C15H30N4O4S 362.1988 NA PeJP NA NA +MJ046084 1-Azabicyclo[2.2.2]oct-3-yl 3,4-dihydro-1-phenyl-2(1H)-isoquinolinecarboxylate C23H26N2O2 362.199428 NA MeJP NA NA +MJ046085 Benzetimide C23H26N2O2 362.199428 NA MeJP NA NA +MJ046086 Cicarperone C20H27FN2O3 362.20057 NA MeJP NA NA +MJ046087 Clometerone C22H31ClO2 362.201257 NA MeJP NA NA +EUR381 Cortisol F1 C21H30O5 362.209075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR381 Cortisol F1 NA 362.209075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR381 Cortisol F1 C21H30O5 362.209075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR381 Cortisol F1 NA 362.209075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR381 Cortisol F1 C21H30O5 362.209075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR381 Cortisol F1 NA 362.209075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR381 Cortisol F1 C21H30O5 362.209075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR381 Cortisol F1 C21H30O5 362.209075 standards wishlist analysés sur QTOF HMDB NA NA +EUR381 Cortisol F1 C21H30O5 362.209075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR381 Cortisol F1 NA 362.209075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR381 Cortisol F1 C21H30O5 362.209075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR381 Cortisol F1 C21H30O5 362.209075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR096 Cortisol C21H30O5 362.2093 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR637 cortisol [M+H]+ 362.2093 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR096 Cortisol C21H30O5 362.2093 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR637 cortisol [M+H]+ 362.2093 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR096 Cortisol C21H30O5 362.2093 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR637 cortisol [M+H]+ 362.2093 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR096 Cortisol C21H30O5 362.2093 Wishlist Inhousejuil11 NA NA +EUR637 cortisol [M+H]+ 362.2093 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00735 Cortisol C21H30O5 362.2093 NA KEGG NA NA +C01124 18-Hydroxycorticosterone C21H30O5 362.2093 NA KEGG NA NA +C03588 4,5alpha-Dihydrocortisone C21H30O5 362.2093 NA KEGG NA NA +C05469 17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione C21H30O5 362.2093 NA KEGG NA NA +C05473 11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al C21H30O5 362.2093 NA KEGG NA NA +C08837 Poststerone C21H30O5 362.2093 NA KEGG NA NA +C10695 Humulone C21H30O5 362.2093 NA KEGG NA NA +C15034 16alpha-Hydroxycorticosterone C21H30O5 362.2093 NA KEGG NA NA +HMDB00037 Aldosterone C21H30O5 362.20932 http://www.hmdb.ca/metabolites/HMDB00037 PFEM_hmdb_metabocards_urine NA urine +HMDB00063 Cortisol C21H30O5 362.20932 http://www.hmdb.ca/metabolites/HMDB00063 PFEM_hmdb_metabocards_urine NA urine +HMDB00037 Aldosterone C21H30O5 362.20932 http://www.hmdb.ca/metabolites/HMDB00037 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00063 Cortisol C21H30O5 362.20932 http://www.hmdb.ca/metabolites/HMDB00063 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00319 18-Hydroxycorticosterone C21H30O5 362.20932 http://www.hmdb.ca/metabolites/HMDB00319 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00037 Aldosterone C21H30O5 362.20932 http://www.hmdb.ca/metabolites/HMDB00037 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00063 Cortisol C21H30O5 362.20932 http://www.hmdb.ca/metabolites/HMDB00063 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00037 Aldosterone C21H30O5 362.20932 http://www.hmdb.ca/metabolites/HMDB00037 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00063 Cortisol C21H30O5 362.20932 http://www.hmdb.ca/metabolites/HMDB00063 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00037 Aldosterone C21H30O5 362.20932 http://www.hmdb.ca/metabolites/HMDB00037 HMDB NA NA +HMDB00063 Cortisol C21H30O5 362.20932 http://www.hmdb.ca/metabolites/HMDB00063 HMDB NA NA +HMDB00319 18-Hydroxycorticosterone C21H30O5 362.20932 http://www.hmdb.ca/metabolites/HMDB00319 HMDB NA NA +HMDB06754 11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al C21H30O5 362.20932 http://www.hmdb.ca/metabolites/HMDB06754 HMDB NA NA +HMDB06758 17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione C21H30O5 362.20932 http://www.hmdb.ca/metabolites/HMDB06758 HMDB NA NA +HMDB00037 Aldosterone C21H30O5 362.20932 http://www.hmdb.ca/metabolites/HMDB00037 PFEM_hmdb_metabocards_blood NA blood +HMDB00063 Cortisol C21H30O5 362.20932 http://www.hmdb.ca/metabolites/HMDB00063 PFEM_hmdb_metabocards_blood NA blood +HMDB00319 18-Hydroxycorticosterone C21H30O5 362.20932 http://www.hmdb.ca/metabolites/HMDB00319 PFEM_hmdb_metabocards_blood NA blood +HMDB00037 Aldosterone C21H30O5 362.20932 HMDB00037 PFEM_hmdb_metabocards_official NA NA +HMDB00063 Cortisol C21H30O5 362.20932 HMDB00063 PFEM_hmdb_metabocards_official NA NA +HMDB00319 18-Hydroxycorticosterone C21H30O5 362.20932 HMDB00319 PFEM_hmdb_metabocards_official NA NA +HMDB06754 11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al C21H30O5 362.20932 HMDB06754 PFEM_hmdb_metabocards_official NA NA +HMDB06758 17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione C21H30O5 362.20932 HMDB06758 PFEM_hmdb_metabocards_official NA NA +HMDB00063 Cortisol C21H30O5 362.20932 NA HMDB2010 NA NA +HMDB00319 18-Hydroxycorticosterone C21H30O5 362.20932 NA HMDB2010 NA NA +HMDB06758 17a,21-Dihydroxy-5b-pregnane-3,11,20-trione C21H30O5 362.20932 NA HMDB2010 NA NA +MJ046088 1,10-Epoxyfuranoeremophilane-3,6-diol, 6-(3-Methylpentanoyl) C21H30O5 362.209324 NA MeJP NA NA +MJ046089 1,11,21-Trihydroxypregn-4-ene-3,20-dione C21H30O5 362.209324 NA MeJP NA NA +MJ046090 1,20-Epoxy-1,3(20),10,14-phytatetraene-18,19-dioic acid, 18-Me ester C21H30O5 362.209324 NA MeJP NA NA +MJ046091 1,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 1-Angeloyl, 8-Me ether C21H30O5 362.209324 NA MeJP NA NA +MJ046092 1-Heptadecene-11,13-diyne-8,9,10-triol, 8,10-Di-Ac C21H30O5 362.209324 NA MeJP NA NA +MJ046093 1-Heptadecene-11,13-diyne-8,9,10-triol, 8,9-Di-Ac C21H30O5 362.209324 NA MeJP NA NA +MJ046094 10,11,12,14-Tetrahydroxy-8,11,13-icetexatrien-7-one; 4?-form, 12-Me ether C21H30O5 362.209324 NA MeJP NA NA +MJ046095 11,17,21-Trihydroxypregn-4-ene-3,20-dione C21H30O5 362.209324 NA MeJP NA NA +MJ046096 12-Hydroxy-8(17),13-labdadien-15,12-olid-19-oic acid, 12-Me ether C21H30O5 362.209324 NA MeJP NA NA +MJ046097 14,15-Dihydroxy-12-oxo-4(18),13-clerodadien-16,15-olide; 15?-form, 14-Me ether C21H30O5 362.209324 NA MeJP NA NA +MJ046098 14,15-Dihydroxy-12-oxo-4(18),13-clerodadien-16,15-olide; 15?-form, 15-Me ether C21H30O5 362.209324 NA MeJP NA NA +MJ046099 15,16-Epoxy-12,17-dihydroxy-3,13(16),14-clerodatrien-18-oic acid, Me ester C21H30O5 362.209324 NA MeJP NA NA +MJ046100 16-Hydroxy-15-oxo-13-spongien-19-oic acid; 16?-form, Me ether C21H30O5 362.209324 NA MeJP NA NA +MJ046101 16-Hydroxy-15-oxo-13-spongien-19-oic acid; 16?-form, 16-Ketone (lactone), 15?-alcohol, Me ether C21H30O5 362.209324 NA MeJP NA NA +MJ046102 16-Hydroxy-15-oxo-13-spongien-19-oic acid; 16?-form, Me ether C21H30O5 362.209324 NA MeJP NA NA +MJ046103 17,19,21-Trihydroxypregn-4-ene-3,20-dione C21H30O5 362.209324 NA MeJP NA NA +MJ046104 2,3,14-Trihydroxypregn-7-ene-6,20-dione C21H30O5 362.209324 NA MeJP NA NA +MJ046105 3,12,14-Trihydroxypregn-5-ene-15,20-dione C21H30O5 362.209324 NA MeJP NA NA +MJ046106 3,13-Clerodadien-15,16-olid-17-oic acid; ent-form, 16?-Methoxy C21H30O5 362.209324 NA MeJP NA NA +MJ046107 3,13-Clerodadien-16,15-olid-18-oic acid, 15?-Methoxy C21H30O5 362.209324 NA MeJP NA NA +MJ046108 3,14,15-Trihydroxypregn-5-ene-12,20-dione C21H30O5 362.209324 NA MeJP NA NA +MJ046109 3,20-Epoxy-8,11,13-abietatriene-3,7,11,12-tetrol, 12-Me ether C21H30O5 362.209324 NA MeJP NA NA +MJ046110 3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 6'-Oxo, 6-Me ether C21H30O5 362.209324 NA MeJP NA NA +MJ046111 3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 7'-Oxo, 6-Me ether C21H30O5 362.209324 NA MeJP NA NA +MJ046112 4'-O-Geranylsinapyl alcohol; ?5''-Isomer, 7''-hydroxy C21H30O5 362.209324 NA MeJP NA NA +MJ046113 4'-O-Geranylsinapyl alcohol; ?7''-Isomer, 5''-hydroxy C21H30O5 362.209324 NA MeJP NA NA +MJ046114 5,11-Dihydroxy-1-silphinen-3-one; 5-(2-Methylpropanoyl), 11-Ac C21H30O5 362.209324 NA MeJP NA NA +MJ046115 5-Hydroxy-4-methoxy-5-(1-oxo-9,12,15-hexadecatrienyl)-2(5H)-furanone C21H30O5 362.209324 NA MeJP NA NA +MJ046116 6,11,21-Trihydroxypregn-4-ene-3,20-dione C21H30O5 362.209324 NA MeJP NA NA +MJ046117 6,7-Dihydroxy-17-vouacapanoic acid, Me ester C21H30O5 362.209324 NA MeJP NA NA +MJ046118 7,20-Epoxy-1,14,20-trihydroxy-16-kauren-15-one, 20-Me (20R-) C21H30O5 362.209324 NA MeJP NA NA +MJ046119 7,20-Epoxy-1,14,20-trihydroxy-16-kauren-15-one, 20-Me (20S-) C21H30O5 362.209324 NA MeJP NA NA +MJ046120 7-Hydroxy-15,16-dinor-12-oxo-8(14)-cassen-17-oic acid, 7-Ac, Me ester C21H30O5 362.209324 NA MeJP NA NA +MJ046121 7-Hydroxy-18-nor-3-oxo-13-cleroden-16,15-olide, Ac C21H30O5 362.209324 NA MeJP NA NA +MJ046122 8,11-Dihydroxy-12-oxo-13,15(17)-abietadien-16-oic acid, Me ester C21H30O5 362.209324 NA MeJP NA NA +MJ046123 8,16-Dihydroxy-17-nor-6,13-labdadien-15-oic acid, 8-Ketone, 16-Ac C21H30O5 362.209324 NA MeJP NA NA +MJ046124 ACTG Toxin A; 1-Oxo C21H30O5 362.209324 NA MeJP NA NA +MJ046125 Adhumulone C21H30O5 362.209324 NA MeJP NA NA +MJ046126 Adonylic acid C21H30O5 362.209324 NA MeJP NA NA +MJ046127 Aplytangene 1 C21H30O5 362.209324 NA MeJP NA NA +MJ046128 Brassicene C; 11?-Hydroxy, 12,18-didehydro C21H30O5 362.209324 NA MeJP NA NA +MJ046129 Cannabitetrol C21H30O5 362.209324 NA MeJP NA NA +MJ046130 Coetsoidin C C21H30O5 362.209324 NA MeJP NA NA +MJ046131 Dysidotronic acid C21H30O5 362.209324 NA MeJP NA NA +MJ046132 Esquirolin D C21H30O5 362.209324 NA MeJP NA NA +MJ046133 Hirundigenin C21H30O5 362.209324 NA MeJP NA NA +MJ046134 Humulone C21H30O5 362.209324 NA MeJP NA NA +MJ046135 Isoadhumulone C21H30O5 362.209324 NA MeJP NA NA +MJ046136 Isohumulone A C21H30O5 362.209324 NA MeJP NA NA +MJ046137 Juruenolide D C21H30O5 362.209324 NA MeJP NA NA +MJ046138 Perforaquassin C C21H30O5 362.209324 NA MeJP NA NA +MJ046139 Platycarphol; 15-Ac C21H30O5 362.209324 NA MeJP NA NA +MJ046140 Platycarphol; 7-Ac C21H30O5 362.209324 NA MeJP NA NA +MJ046141 Sarcophytin C21H30O5 362.209324 NA MeJP NA NA +MJ046142 Sinapyl alcohol, 4'-O-(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)(E-) C21H30O5 362.209324 NA MeJP NA NA +MJ046143 Sinapyl alcohol, 4'-O-(7-Hydroxy-3,7-dimethyl-2,5-octadienyl)(E,E-) C21H30O5 362.209324 NA MeJP NA NA +MJ046144 Spongionellin C21H30O5 362.209324 NA MeJP NA NA +MJ046145 Tridachiahydropyrone B C21H30O5 362.209324 NA MeJP NA NA +MJ046146 11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al C21H30O5 362.209324 NA MeJP NA NA +MJ046147 17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione C21H30O5 362.209324 NA MeJP NA NA +MJ046148 18-Hydroxycorticosterone C21H30O5 362.209324 NA MeJP NA NA +MJ046149 Cortisol C21H30O5 362.209324 NA MeJP NA NA +MetaCyc03197 18-hydroxycorticosterone [11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;] C21H30O5 362.209324 561-65-9 metacyc NA NA +MetaCyc03198 4,5β-dihydrocortisone [17,21-dihydroxy-5β-pregnane-3,11,20-trione;] C21H30O5 362.209324 NA metacyc NA NA +MetaCyc03199 4,5α-Dihydrocortisone [] C21H30O5 362.209324 NA metacyc NA NA +MetaCyc03200 cortisol [] C21H30O5 362.209324 NA metacyc NA NA +MetaCyc03201 humulone [(6R)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclo;] C21H30O5 362.209324 NA metacyc NA NA +EUR561 Cortisol [M+H]+ 362.209375 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR561 Cortisol [M+H]+ 362.209375 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR561 Cortisol [M+H]+ 362.209375 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR561 Cortisol [M+H]+ 362.209375 identifies dans serum NuGO Inhousejuil11 NA NA +MLBis007 Hydrocortisone (cortisol) HMDB00063_RT9.43_add725(dimer) 362.21 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis007 Hydrocortisone (cortisol) HMDB00063_RT9.43_add725(dimer) 362.21 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis007 Hydrocortisone (cortisol) HMDB00063_RT9.43_add725(dimer) 362.21 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis007 Hydrocortisone (cortisol) HMDB00063_RT9.43_add725(dimer) 362.21 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis007 Hydrocortisone (cortisol) HMDB00063_RT9.43_add725(dimer) 362.21 Mlbis HMDB NA NA +MLBis007 Hydrocortisone (cortisol) HMDB00063_RT9.43_add725(dimer) 362.21 Mlbis Inhouse_PFEM NA NA +MLBis007 Hydrocortisone (cortisol) HMDB00063_RT9.43_add725(dimer) 362.21 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis007 Hydrocortisone (cortisol) HMDB00063_RT9.43_add725(dimer) 362.21 Mlbis PFEM_hmdb_metabocards_official NA NA +MJ046150 Viminol C21H31ClN2O 362.212491 NA MeJP NA NA +MJ046151 13-Hydroxylupanine; O-(4-Hydroxy-2-methyl-2E-butenoyl) C20H30N2O4 362.220557 NA MeJP NA NA +MJ046152 3,13-Dihydroxylupanine, 13-Angeloyl C20H30N2O4 362.220557 NA MeJP NA NA +MJ046153 3,13-Dihydroxylupanine, 13-Tigloyl C20H30N2O4 362.220557 NA MeJP NA NA +MJ046154 3,4-Dihydroxylupanine, 4-Angeloyl C20H30N2O4 362.220557 NA MeJP NA NA +MJ046155 4,13-Dihydroxylupanine, O13-Angeloyl C20H30N2O4 362.220557 NA MeJP NA NA +MJ046156 8,13-Dihydroxylupanine, 13-Angeloyl C20H30N2O4 362.220557 NA MeJP NA NA +C11256 Calpeptin C20H30N2O4 362.2206 NA KEGG NA NA +MJ046157 2,4-Bis(3-methyl-2-butenyl)-5-(2-phenylethenyl)-1,3-benzenediol; Mono-Me ether C25H30O2 362.22458 NA MeJP NA NA +MJ046158 3-Methoxy-5-(1-terpinen-4-yloxy)stilbene C25H30O2 362.22458 NA MeJP NA NA +C14630 9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-3,20-dione C22H31FO3 362.2257 NA KEGG NA NA +C15088 4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate C22H31FO3 362.2257 NA KEGG NA NA +C15253 16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate C22H31FO3 362.2257 NA KEGG NA NA +C15317 9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione C22H31FO3 362.2257 NA KEGG NA NA +C15321 6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate C22H31FO3 362.2257 NA KEGG NA NA +C15369 9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-3,20-dione C22H31FO3 362.2257 NA KEGG NA NA +C15408 2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate C22H31FO3 362.2257 NA KEGG NA NA +C15446 6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate C22H31FO3 362.2257 NA KEGG NA NA +C15447 16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate C22H31FO3 362.2257 NA KEGG NA NA +C15448 Urethane dimethacrylate C22H34N2O8 362.2257 NA KEGG NA NA +HMDB10214 19,20-DiHDPA C22H34O4 362.245697 NA HMDB2010 NA NA +C14575 Di-n-heptyl phthalate C22H34O4 362.2457 NA KEGG NA NA +MJ046159 1(15),7-Dolastadiene-4,9,14-triol, 4-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046160 1(15),7-Dolastadiene-6,9,14-triol, 6-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046161 1(15),8(19)-Trinervitadiene-2,3,20-triol, 20-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046162 1(15),8(19)-Trinervitadiene-2,3,9-triol, 9-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046163 1(15),8-Dolastadiene-4,7,14-triol, 4-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046164 1(15),8-Dolastadiene-4,7,14-triol, 7-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046165 1,3,7,11-Cembratetraen-16-ol, (3R*,4S*:11R*,12R*)-Diepoxide, Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046166 1,3,7,11-Cembratetraene-13,14-diol, 11S,12R-Epoxide, 14-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046167 1-Hydroxy-2,6,10,14-phytatetraen-19-oic acid, Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046168 12-Hydroxy-8(17),13-labdadien-15-oic acid, Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046169 13,17-Dihydroxy-2,18-sphenolobadien-4-one; 17-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046170 15,16-Epoxy-13(16),14-labdadiene-6,9-diol, 6-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046171 15-(3,4-Methylenedioxyphenyl)pentadecanoic acid C22H34O4 362.245709 NA MeJP NA NA +MJ046172 15-Beyerene-1,12,17-triol, 12-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046173 15-Beyerene-7,14,18-triol, 7-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046174 15-Hydroxy-1(10),13-halimadien-18-oic acid, Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046175 15-Kaurene-3,7,18-triol, 18-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046176 15-Kaurene-3,7,18-triol, 3-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046177 15-Kaurene-7,17,18-triol, 7-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046178 15-Kaurene-7,18-diol, 15?,16?-Epoxide, 7-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046179 16,17,19-Kauranetriol, 19-Aldehyde, 17-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046180 16-Hydroperoxy-3,4-secomansumbina-4(28),13(17)-dien-3-oic acid; 16?-form C22H34O4 362.245709 NA MeJP NA NA +MJ046181 16-Hydroxy-8(17),13-labdadien-15-oic acid, Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046182 16-Kaurene-3,7,18-triol, 18-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046183 16-Kaurene-3,7,18-triol, 3-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046184 16-Kaurene-7,15,18-triol, 7-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046185 17,18-Epoxy-1(19),7,10,12-xenicatetraene-6,14,17-triol, 14,17-Di-Me ether C22H34O4 362.245709 NA MeJP NA NA +MJ046186 17,19-Kauranediol, 17-Carboxylic acid, 19-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046187 17,19-Kauranediol, Dicarboxylic acid, di-Me ester C22H34O4 362.245709 NA MeJP NA NA +MJ046188 17-Hydroxy-16-spongianone; Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046189 18-Hydroxy-3,13-clerodadien-15-oic acid, Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046190 2,10(18),14-Prenylguaiatriene-4,6,13-triol, 13-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046191 2,12-Dihydroxy-3,7-dolabelladien-9-one, 2-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046192 2,15-Dihydroxy-1(10)-halimen-18-oic acid, 18?2 Lactone, 15-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046193 2,4-Dihydroxy-6-(8-pentadecenyl)benzoic acid C22H34O4 362.245709 NA MeJP NA NA +MJ046194 2,5-Dihydroxy-3-methyl-6-(10-pentadecenyl)-1,4-benzoquinone C22H34O4 362.245709 NA MeJP NA NA +MJ046195 2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone; 10',11'-Didehydro, 5-Me ether C22H34O4 362.245709 NA MeJP NA NA +MJ046196 2,6,10,14-Phytatetraene-1,16-diol, 16-Carboxylic acid, 1-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046197 2,9:3,16-Diepoxy-6-asbestinen-11-ol, Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046198 3,12-Cyathadiene-11,14,15-triol, 11-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046199 3,12-Cyathadiene-11,14,15-triol, 15-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046200 3,16,17-Kauranetriol, 3-Ketone, 17-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046201 3,16,17-Phyllocladanetriol, 3-Ketone, 17-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046202 3,4-Epoxy-13(15),16-sphenolobadiene-5,18-diol, 5-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046203 3-Clerodene-15,18-diol, 15-Carboxylic acid, 13E,14-didehydro, Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046204 3-Erythroxylene-7,15,16-triol, 7-Ketone, 16-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046205 3-Hydroxy-17-kauranoic acid, Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046206 4(20),11-Taxadiene-5,10,14-triol, 5-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046207 4,18-Dihydroxy-1(9),6,13-xenicatrien-19-al; 18-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046208 5,12-Dihydroxy-3,7-dolabelladien-9-one, 5-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046209 6,13-Dihydroxy-3,14-clerodadien-2-one, 6-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046210 6,13-Dihydroxy-7-haplopanone, 6-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046211 6,13-Epoxy-12-hydroxy-4(18)-eunicellen-9-one, 12-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046212 6,13-Epoxy-3,8(19)-eunicelladiene-9,12-diol, 9-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046213 6,13-Epoxy-4(18),8(19)-eunicelladiene-9,12-diol, 12-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046214 7,13-Dihydroxy-3,14-clerodadien-2-one, Mono-Ac (isomer A) C22H34O4 362.245709 NA MeJP NA NA +MJ046215 7,13-Dihydroxy-3,14-clerodadien-2-one, Mono-Ac (isomer B) C22H34O4 362.245709 NA MeJP NA NA +MJ046216 7,13-Labdadiene-15,17-diol, 17-Carboxylic, Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046217 7,16,17-Kauranetriol, 7-Ketone, 17-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046218 7,8-Dihydroxy-15-isopimaren-3-one, 7-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046219 7,8-Epoxy-3,11,15-cembratriene-2,18-diol, 18-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046220 7-Hydroxy-16-spongianone; 7?-form, Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046221 7-Hydroxy-3,13-clerodadien-15-oic acid, Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046222 8(14),15-Isopimaradiene-1,6,9-triol, 6-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046223 8(14),15-Isopimaradiene-1,7,11-triol, 7-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046224 8(17),13-Labdadiene-15,18-diol, 15-Carboxylic acid, 18-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046225 8(17),13-Labdadiene-15,18-diol, 18-Carboxylic acid, 15-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046226 8(17),13-Labdadiene-15,19-diol, 19-Carboxylic acid, 15-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046227 8(17),13-Labdadiene-15,19-diol, 15-Carboxylic acid, 19-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046228 8(17),13-Labdadiene-2,15-diol, 15-Carboxylic acid, 2-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046229 8(17),13-Labdadiene-3,15,19-triol, 19-Aldehyde, 3-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046230 8(17),13-Labdadiene-3,15-diol, 15-Carboxylic acid, 3-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046231 8,13-Dihydroxy-5-neoverrucosanone, 8-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046232 8,14-Labdadiene-6,7,13-triol, 7-Ketone, 6-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046233 Ancepsenolide C22H34O4 362.245709 NA MeJP NA NA +MJ046234 Antibiotic A 88696F C22H34O4 362.245709 NA MeJP NA NA +MJ046235 Aplykurodin A; 17,18-Didehydro, 4-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046236 Buxapentalactone C22H34O4 362.245709 NA MeJP NA NA +MJ046237 Cheloviolene C C22H34O4 362.245709 NA MeJP NA NA +MJ046238 Cheloviolene F C22H34O4 362.245709 NA MeJP NA NA +MJ046239 Dictyol H C22H34O4 362.245709 NA MeJP NA NA +MJ046240 Dictyotriol A; 12-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046241 Lycopersiconolide C22H34O4 362.245709 NA MeJP NA NA +MJ046242 Mutilin; 8-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046243 Pregna-5,14-diene-3,17,20,21-tetrol, 21-Me ether C22H34O4 362.245709 NA MeJP NA NA +MJ046244 Prerotundifuran C22H34O4 362.245709 NA MeJP NA NA +MJ046245 Shahamin E; 12-Deoxy, 16-Ac C22H34O4 362.245709 NA MeJP NA NA +MJ046246 Solandelactone G; 11-Epimer, 19,20-dihydro C22H34O4 362.245709 NA MeJP NA NA +MJ046247 Solandelactone G; 11-Epimer, 5,6-dihydro C22H34O4 362.245709 NA MeJP NA NA +MJ046248 Solandelactone G; 19,20-Dihydro C22H34O4 362.245709 NA MeJP NA NA +MJ046249 Solandelactone G; 5,6-Dihydro C22H34O4 362.245709 NA MeJP NA NA +MJ046250 Solanolide C22H34O4 362.245709 NA MeJP NA NA +MJ046251 Tormesolanone C22H34O4 362.245709 NA MeJP NA NA +MJ046252 Fortimicin B; N1-Me C16H34N4O5 362.25292 NA MeJP NA NA +MJ046253 13-Hydroxylupanine; O-Hexanoyl C21H34N2O3 362.256942 NA MeJP NA NA +MJ046254 Heptacaine C21H34N2O3 362.256942 NA MeJP NA NA +C14968 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one C26H34O 362.261 NA KEGG NA NA +MJ046255 Protoverbine; 4'-Methoxy C20H34N4O2 362.268176 NA MeJP NA NA +MJ046256 1-Hydroxy-2,5,12-heneicosatrien-4-one, Ac C23H38O3 362.282095 NA MeJP NA NA +MJ046257 1-Hydroxy-2,5,14-heneicosatrien-4-one, Ac C23H38O3 362.282095 NA MeJP NA NA +MJ046258 1-Hydroxy-2,5,16-heneicosatrien-4-one, Ac C23H38O3 362.282095 NA MeJP NA NA +MJ046259 2-(8-Heptadecenyl)-1,4-benzenediol, 2'R-Hydroxy C23H38O3 362.282095 NA MeJP NA NA +MJ046260 Yosgadensonol C23H38O3 362.282095 NA MeJP NA NA +EUR399 Calcitriol F4 F4 362.297975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR399 Calcitriol F4 NA 362.297975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR399 Calcitriol F4 F4 362.297975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR399 Calcitriol F4 NA 362.297975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR399 Calcitriol F4 F4 362.297975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR399 Calcitriol F4 NA 362.297975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR399 Calcitriol F4 F4 362.297975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR399 Calcitriol F4 F4 362.297975 standards wishlist analysés sur QTOF HMDB NA NA +EUR399 Calcitriol F4 F4 362.297975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR399 Calcitriol F4 NA 362.297975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR399 Calcitriol F4 F4 362.297975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR399 Calcitriol F4 F4 362.297975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ046261 Xestamine E; N1-Me C23H43N2O(+) 362.329714 NA MeJP NA NA +MJ046262 11-Hexacosyne C26H50 362.391251 NA MeJP NA NA +3637 NA YPFGFP~ 362.67 MH2+ Inhouse_peptide NA peptide +MJ046263 [N,N'-Bis(mercaptoacetyl)-2,3-diaminopropanoato(4-)]oxotechnetate(V)(1-) C7H8N2O5S2Tc(-) 362.902503 NA MeJP NA NA +MJ046264 Aurothioglycanide C8H8AuNOS 362.999211 NA MeJP NA NA +MJ046265 2-Hydroxyethyl glucosinolate C9H17NO10S2 363.029387 NA MeJP NA NA +MJ046266 1-(3-Indolyl)-?-carboline; 3,4-Dihydro, 6'-bromo C19H14BrN3 363.03711 NA MeJP NA NA +MJ046267 3'-Guanylic acid C10H14N5O8P 363.057998 NA MeJP NA NA +MJ046268 5'-Guanylic acid C10H14N5O8P 363.057998 NA MeJP NA NA +MJ046269 GMP C10H14N5O8P 363.057999 NA MeJP NA NA +MJ046270 Guanosine 3'-phosphate C10H14N5O8P 363.057999 NA MeJP NA NA +MetaCyc03202 GMP [guanylate;G;guanylic acid;guanosine-phosphate;guanosine-5'-phosphate;guanosine-monophosphate;guanosine monophosphate;guanosine-5'-monophosphate;] C10H14N5O8P1 363.057999 85-32-5 metacyc NA NA +MetaCyc03203 guanosine 3'-monophosphate [3'-GMP;guanosine 3'-phosphate;3'-guanylic acid;] C10H14N5O8P1 363.057999 497-76-7 metacyc NA NA +C00144 GMP C10H14N5O8P 363.058 NA KEGG NA NA +C00145 Thiol HSR 363.058 NA KEGG NA NA +C06193 Guanosine 3'-phosphate C10H14N5O8P 363.058 NA KEGG NA NA +HMDB01397 GMP C10H14N5O8P 363.05801 http://www.hmdb.ca/metabolites/HMDB01397 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01397 GMP C10H14N5O8P 363.05801 http://www.hmdb.ca/metabolites/HMDB01397 HMDB NA NA +HMDB01397 GMP C10H14N5O8P 363.05801 http://www.hmdb.ca/metabolites/HMDB01397 PFEM_hmdb_metabocards_blood NA blood +HMDB01397 GMP C10H14N5O8P 363.05801 HMDB01397 PFEM_hmdb_metabocards_official NA NA +HMDB01397 Guanosine monophosphate C10H14N5O8P 363.058014 NA HMDB2010 NA NA +HMDB11670 8-Oxo-dGMP C10H14N5O8P 363.058014 NA HMDB2010 NA NA +MJ046271 7-Chloro-4-hydroxy-3-(3-phenoxyphenyl)-2(1H)-quinolinone C21H14ClNO3 363.066221 NA MeJP NA NA +MJ046272 Broperamole C15H18BrN5O 363.069472 NA MeJP NA NA +CJneg0559 Acetaminophen glucuronide [(M+Cl)]- C14H17ClNO8 363.072625 C18rt(min)=4.12 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0559 Acetaminophen glucuronide [(M+Cl)]- C14H17ClNO8 363.072625 C18rt(min)=4.12 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ046273 Griseolic acid; 7'-Deoxy C14H13N5O7 363.081497 NA MeJP NA NA +MJ046274 Etofibrate C18H18ClNO5 363.08735 NA MeJP NA NA +MJ046275 Cefadroxil C16H17N3O5S 363.088891 NA MeJP NA NA +C06878 Cefadroxil C16H17N3O5S 363.0889 NA KEGG NA NA +PJ000550 DDD C12H17N3O10 363.0914 NA PeJP NA NA +MJ046276 Candidine C23H13N3O2 363.100776 NA MeJP NA NA +MJ046277 Diplamine C20H17N3O2S 363.104147 NA MeJP NA NA +MJ046278 Rufloxacin C17H18FN3O3S 363.10529 NA MeJP NA NA +C11240 Rufloxacin C17H18FN3O3S 363.1053 NA KEGG NA NA +MetaCyc03204 7,8-didemethyl-8-hydroxy-5-deazariboflavin [FO;] C16H17N3O7 363.10665 NA metacyc NA NA +MJ046279 8-Hydroxymethyldihydrosanguinarine C21H17NO5 363.110672 NA MeJP NA NA +MJ046280 8-Methoxydihydrosanguinarine C21H17NO5 363.110672 NA MeJP NA NA +MJ046281 Dihydrochelirubine C21H17NO5 363.110672 NA MeJP NA NA +MJ046282 Oxychelerythrine C21H17NO5 363.110672 NA MeJP NA NA +MJ046283 Oxynitidine C21H17NO5 363.110672 NA MeJP NA NA +MJ046284 Telisatin A; 3-Methoxy C21H17NO5 363.110672 NA MeJP NA NA +MJ046285 Chelilutine; 12-O-De-Me C21H18NO5(+) 363.110672 NA MeJP NA NA +MJ046286 Dihydrochelirubine C21H17NO5 363.110672 NA MeJP NA NA +MetaCyc03205 dihydrochelirubine [13, 14-dihydro-5-methoxy-13-methyl-[1, 3]benzodioxolo[5, 6-c]-1, 3-dioxolo[4, 5-i]phenanthridine;] C21H17N1O5 363.110673 28342-26-9 metacyc NA NA +C05194 Dihydrochelirubine C21H17NO5 363.1107 NA KEGG NA NA +C12225 6-Oxochelerythrine C21H17NO5 363.1107 NA KEGG NA NA +PJ000551 CNQ C12H21N5O6S 363.1213 NA PeJP NA NA +C16822 9-Aminocamptothecin C20H17N3O4 363.1219 NA KEGG NA NA +MJ046287 9-Aminocamptothecin C20H17N3O4 363.121906 NA MeJP NA NA +MJ046288 Circumdatin A; 5-Demethoxy C20H17N3O4 363.121906 NA MeJP NA NA +MJ046289 Circumdatin E C20H17N3O4 363.121906 NA MeJP NA NA +MJ046290 [4-[2-[[2-(3-Chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid C19H22ClNO4 363.123735 NA MeJP NA NA +MJ046291 Maremycin A C17H21N3O4S 363.125276 NA MeJP NA NA +PJ000552 SEE C13H21N3O9 363.1278 NA PeJP NA NA +MJ046292 Galwesine; 16-Hydroxy, O9-de-Me C18H21NO7 363.131802 NA MeJP NA NA +MJ046293 [3,2':2'(3'H),3''-Ter-1H-indol]-3'-one C24H17N3O 363.137162 NA MeJP NA NA +MJ046294 [3,3':3'(2'H),3''-Ter-1H-indol]-2'-one C24H17N3O 363.137162 NA MeJP NA NA +PJ000553 GSSN C12H21N5O8 363.139 NA PeJP NA NA +C05556 delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine C14H25N3O6S 363.1464 NA KEGG NA NA +PJ000554 VDM C14H25N3O6S 363.1464 NA PeJP NA NA +MJ046295 delta(L-2-Aminoadipyl)-L-cysteinyl-D-valine C14H25N3O6S 363.146406 NA MeJP NA NA +MetaCyc03206 N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine [ACV;L-δ-(α-aminoadipoyl)-L-cysteinyl-D-valine;δ(L-2-aminoadipyl)-L-cysteinyl-D-valine;N-[L-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine;] C14H25N3O6S1 363.146406 NA metacyc NA NA +MJ046296 2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7,O9-Dibenzoyl C22H21NO4 363.147058 NA MeJP NA NA +MJ046297 Bocconoline; Deoxy C22H21NO4 363.147058 NA MeJP NA NA +MJ046298 Buxifoliadine G C22H21NO4 363.147058 NA MeJP NA NA +MJ046299 Coralyne C22H22NO4(+) 363.147058 NA MeJP NA NA +7908 synthetic peptide AHH 363.153 antioxidative Inhouse_peptide NA peptide +7983 synthetic peptide HAH 363.153 antioxidative Inhouse_peptide NA peptide +3347 ACE inhibitor DYGLYP 363.15495 MH2+ Inhouse_peptide NA peptide +PJ000555 CNK C13H25N5O5S 363.1577 NA PeJP NA NA +MJ046300 2-[2-Amino-3-(1H-indol-3-yl)-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid C21H21N3O3 363.158291 NA MeJP NA NA +MJ046301 Almazole A C21H21N3O3 363.158291 NA MeJP NA NA +MJ046302 Austamide C21H21N3O3 363.158291 NA MeJP NA NA +MJ046303 Cadamine C21H21N3O3 363.158291 NA MeJP NA NA +MJ046304 Dizatrifone C21H21N3O3 363.158291 NA MeJP NA NA +MJ046305 Lyadine C21H21N3O3 363.158291 NA MeJP NA NA +MJ046306 Mersingine A C21H21N3O3 363.158291 NA MeJP NA NA +MJ046307 Nauclechine; Natural-form C21H21N3O3 363.158291 NA MeJP NA NA +MJ046308 Naucleonidine C21H21N3O3 363.158291 NA MeJP NA NA +MJ046309 Spirotryprostatin A; Demethoxy, 8,9-didehydro C21H21N3O3 363.158291 NA MeJP NA NA +MJ046310 Adafenoxate C20H26ClNO3 363.160121 NA MeJP NA NA +MJ046311 Lachesine(1+); Chloride C20H26ClNO3 363.160121 NA MeJP NA NA +MJ046312 Antibiotic SF 2339 C14H25N3O8 363.164164 NA MeJP NA NA +PJ000556 AHH C15H21N7O4 363.1655 NA PeJP NA NA +MJ046313 Sinefungin; ?-Lactam C15H21N7O4 363.165502 NA MeJP NA NA +MJ046314 4-[3-[[2-(3,4-Dimethoxyphenyl)ethyl]amino]-2-hydroxypropoxy]-1,2-benzenediol C19H25NO6 363.168187 NA MeJP NA NA +MJ046315 6-Hydroxy-1-pyrrolizidinecarboxylic acid, 6-O-[3-(4-Hydroxy-3-methoxyphenyl)propanoyl], Me ester C19H25NO6 363.168187 NA MeJP NA NA +MJ046316 Acutumine; Dechloro C19H25NO6 363.168187 NA MeJP NA NA +MJ046317 Hernandine C19H25NO6 363.168187 NA MeJP NA NA +MJ046318 Longanine C19H25NO6 363.168187 NA MeJP NA NA +MJ046319 Nilgirine; Ac C19H25NO6 363.168187 NA MeJP NA NA +MJ046320 4-Amino-5-chloro-2,3-dihydro-2-methyl-N-[2-(tetrahydro-1H-pyrrolizin-7a(5H)-yl)ethyl]-7-benzofurancarboxamide C19H26ClN3O2 363.171354 NA MeJP NA NA +PJ000557 PTF C18H25N3O5 363.1794 NA PeJP NA NA +MJ046321 Carocainide C18H25N3O5 363.17942 NA MeJP NA NA +MJ046322 Cathestatin C; 4'-Deoxy C18H25N3O5 363.17942 NA MeJP NA NA +MJ046323 Libenzapril C18H25N3O5 363.17942 NA MeJP NA NA +PJ000558 TLM C15H29N3O5S 363.1828 NA PeJP NA NA +C12337 Dioncophylline C C23H25NO3 363.1834 NA KEGG NA NA +MJ046324 2-[6-(3,4-Methylenedioxyphenyl)hexyl]-4(1H)-quinolinone; OH-form, Me ether C23H25NO3 363.183443 NA MeJP NA NA +MJ046325 Antofine C23H25NO3 363.183443 NA MeJP NA NA +MJ046326 Dioncophylline A; O5'-De-Me C23H25NO3 363.183443 NA MeJP NA NA +MJ046327 Dioncophylline B C23H25NO3 363.183443 NA MeJP NA NA +MJ046328 Dioncophylline C C23H25NO3 363.183443 NA MeJP NA NA +MJ046329 Mukoenine B; 8-Hydroxy C23H25NO3 363.183443 NA MeJP NA NA +MJ046330 Murrayaquinone D C23H25NO3 363.183443 NA MeJP NA NA +MJ046331 Tylophorinine, Deoxy C23H25NO3 363.183443 NA MeJP NA NA +HMDB12240 Isopentenyladenine-9-N-glucoside C17H25N5O4 363.190643 NA HMDB2010 NA NA +MJ046332 Adenosine; 6N-Cyclohexyl, 2'-O-Me C17H25N5O4 363.190654 NA MeJP NA NA +MJ046333 Bucindolol C22H25N3O2 363.194677 NA MeJP NA NA +MJ046334 Consiculine C20H29NO5 363.204573 NA MeJP NA NA +MJ046335 Saussureamine D C20H29NO5 363.204573 NA MeJP NA NA +MJ046336 1-(1H-Indol-2-ylcarbonyl)-4-[3-[(1-methylethyl)amino]-2-pyridinyl]piperazine C21H25N5O 363.20591 NA MeJP NA NA +PJ000559 VVF C19H29N3O4 363.2158 NA PeJP NA NA +C15640 LG 100268 C24H29NO2 363.2198 NA KEGG NA NA +MJ046337 Euchrestine C; 2-Me ether C24H29NO2 363.219829 NA MeJP NA NA +MJ046338 Euchrestine C; 7-Me ether C24H29NO2 363.219829 NA MeJP NA NA +MJ046339 Methylcyclooctylprodigiosin C23H29N3O 363.231062 NA MeJP NA NA +MJ046340 Necopidem C23H29N3O 363.231062 NA MeJP NA NA +MJ046341 Nonylprodigiosin C23H29N3O 363.231062 NA MeJP NA NA +MJ046342 Opipramol C23H29N3O 363.231062 NA MeJP NA NA +MJ046343 Pirolazamide C23H29N3O 363.231062 NA MeJP NA NA +MJ046344 Aconosine; O1-De-Me C21H33NO4 363.240958 NA MeJP NA NA +MJ046345 Antidesmone; 8-Alcohol, O-Ac C21H33NO4 363.240958 NA MeJP NA NA +MJ046346 Cardiopetalidine C21H33NO4 363.240958 NA MeJP NA NA +MJ046347 Incarvilline; O-(8-Carboxy-3,7-dimethyl-2,6-octadienoyl) C21H33NO4 363.240958 NA MeJP NA NA +C08667 Cardiopetalidine C21H33NO4 363.241 NA KEGG NA NA +C11275 Cetyltrimethylammonium bromide C19H42N 363.2501 NA KEGG NA NA +MJ046348 Talinolol C20H33N3O3 363.252191 NA MeJP NA NA +C10641 Aurachin D C25H33NO 363.2562 NA KEGG NA NA +C15128 1'H-5alpha-Androst-2-eno[3,2-b]indol-17beta-ol C25H33NO 363.2562 NA KEGG NA NA +MJ046349 Aurachin D C25H33NO 363.256214 NA MeJP NA NA +HMDB05085 Leukotriene B4 dimethylamide C22H37NO3 363.27734 http://www.hmdb.ca/metabolites/HMDB05085 HMDB NA NA +HMDB05085 Leukotriene B4 dimethylamide C22H37NO3 363.27734 HMDB05085 PFEM_hmdb_metabocards_official NA NA +HMDB05085 Leukotriene B4 dimethylamide C22H37NO3 363.277344 NA HMDB2010 NA NA +HMDB13630 20-HETE ethanolamide C22H37NO3 363.277344 NA HMDB2010 NA NA +C11216 Zwittergent 3-14 C19H41NO3S 363.2807 NA KEGG NA NA +MJ046350 Anhydrocannabisativine C21H37N3O2 363.288577 NA MeJP NA NA +MJ046351 N-(2-Fluoroethyl)-2-methyl-5,8,11,14-eicosatetraenamide C23H38FNO 363.293743 NA MeJP NA NA +C10825 Terminaline C23H41NO2 363.3137 NA KEGG NA NA +MJ046352 12-Oxo-2-octadecenoic acid, Piperidide C23H41NO2 363.313729 NA MeJP NA NA +MJ046353 20-Aminopregnane-3,4-diol, N,N-Di-Me C23H41NO2 363.313729 NA MeJP NA NA +MJ046354 Dictyolucidine; N-Me C23H41NO2 363.313729 NA MeJP NA NA +MJ046355 Mycalazoles; Mycalazole 7 C23H41NO2 363.313729 NA MeJP NA NA +MJ046356 2,4-Eicosadienoic acid, 2-Methylpropylamide C24H45NO 363.350115 NA MeJP NA NA +MJ046357 Trichonine, 4,5-Dihydro C24H45NO 363.350115 NA MeJP NA NA +3357 ACE inhibitor GYALPHA 363.676 MH2+ Inhouse_peptide NA peptide +3606 NA YPFGFV~ 363.678 MH2+ Inhouse_peptide NA peptide +MJ046358 2,4,4,6,6-Pentachloro-7-(dichloromethylene)-1-oxaspiro[2.4]heptan-5-ol C7H3Cl7O2 363.795273 NA MeJP NA NA +MJ046359 3,3,5,5-Tetrachloro-4-hydroxy-2-(trichloromethyl)-1-cyclopentene-1-carboxaldehyde C7H3Cl7O2 363.795273 NA MeJP NA NA +MJ046360 Bromophos C8H8BrCl2O3PS 363.849219 NA MeJP NA NA +MJ046361 Tetrachlorvinphos C10H9Cl4O4P 363.899256 NA MeJP NA NA +C14513 Tetrachlorvinphos C10H9Cl4O4P 363.8993 NA KEGG NA NA +MJ046362 1,6-Dibromo-2,7-dichloro-3,7-dimethyl-3-octene C10H16Br2Cl2 363.899581 NA MeJP NA NA +MJ046363 6-Bromo-3-(bromomethyl)-3,7-dichloro-7-methyl-1-octene C10H16Br2Cl2 363.899581 NA MeJP NA NA +MJ046364 7-Bromo-3-bromomethyl-3,6-dichloro-7-methyl-1-octene C10H16Br2Cl2 363.899581 NA MeJP NA NA +MJ046365 Selenohomocystine C8H16N2O4Se2 363.94405 NA MeJP NA NA +C05707 Selenohomocystine C8H16N2O4Se2 363.9441 NA KEGG NA NA +C14528 Tetrachlorobisphenol A C15H12Cl4O2 363.9591 NA KEGG NA NA +MJ046366 7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one C15H10BrClN2O2 363.961417 NA MeJP NA NA +MJ046367 Eudistomin T; 6-Bromo C19H13BrN2O 364.021125 NA MeJP NA NA +MJ046368 Eudistomin T; 7-Bromo C19H13BrN2O 364.021125 NA MeJP NA NA +MetaCyc03207 chloramphenicol 3-acetate [acetic acid [2-(2,2-dichloroacetyl)amino-3-hydroxy-3-(4- nitrophenyl)-propyl] ester;] C13H14N2O6CL2 364.022892 NA metacyc NA NA +C03601 Chloramphenicol 3-acetate C13H14Cl2N2O6 364.0229 NA KEGG NA NA +C03603 Complement component iC3b C13H14Cl2N2O6 364.0229 NA KEGG NA NA +C04646 6-Thioinosine-5'-monophosphate C10H13N4O7PS 364.0243 NA KEGG NA NA +C04648 alpha-L-Fucosyl-1,2-beta-D-galactoside C12H21O10R 364.0243 NA KEGG NA NA +C04649 Heparan sulfate N-acetyl-alpha-D-glucosaminide C8H14NO6 364.0243 NA KEGG NA NA +MJ046369 Indacrinone C18H14Cl2O4 364.026914 NA MeJP NA NA +MJ046370 Suclofenide C16H13ClN2O4S 364.028455 NA MeJP NA NA +MJ046371 Erdin, 5-Dechloro, Me ester C17H13ClO7 364.03498 NA MeJP NA NA +MJ046372 Erdin, 7-Dechloro, Me ester C17H13ClO7 364.03498 NA MeJP NA NA +MJ046373 Lecideoidin; 9-Dechloro C17H13ClO7 364.03498 NA MeJP NA NA +MJ046374 Maldoxone C17H13ClO7 364.03498 NA MeJP NA NA +MJ046375 Cadinene dihydrobromide C15H26Br2 364.040126 NA MeJP NA NA +C00655 Xanthosine 5'-phosphate C10H13N4O9P 364.042 NA KEGG NA NA +C00657 Amylaceous polysaccharide C10H13N4O9P 364.042 NA KEGG NA NA +C00658 trans-2,3-Dehydroacyl-CoA C24H37N7O17P3SR 364.042 NA KEGG NA NA +MJ046376 Xanthosine 5'-phosphate C10H13N4O9P 364.042014 NA MeJP NA NA +MetaCyc03208 xanthosine-5-phosphate [(9-D-ribosylxanthine)-5'-phosphate;XMP;xanthosine-5'-phosphate;xanthosine-5-P;xanthosine-5'-P;9-(5-phospho-β-D-ribosyl)xanthine;] C10H13N4O9P1 364.042015 523-98-8 metacyc NA NA +HMDB01554 Xanthylic acid C10H13N4O9P 364.04202 http://www.hmdb.ca/metabolites/HMDB01554 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01554 Xanthylic acid C10H13N4O9P 364.04202 http://www.hmdb.ca/metabolites/HMDB01554 HMDB NA NA +HMDB01554 Xanthylic acid C10H13N4O9P 364.04202 http://www.hmdb.ca/metabolites/HMDB01554 PFEM_hmdb_metabocards_blood NA blood +HMDB01554 Xanthylic acid C10H13N4O9P 364.04202 HMDB01554 PFEM_hmdb_metabocards_official NA NA +HMDB01554 Xanthylic acid C10H13N4O9P 364.042023 NA HMDB2010 NA NA +FLIFWXNF0002 Dehydropachyrrhizone;6a,13a-Didehydropachyrrhizone C20H12O7 364.0583 28607-94-5 knapsack NA NA +MJ046377 2',4,4',5,5'-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4,5:4',5'-Bis(methylene) C20H12O7 364.058302 NA MeJP NA NA +MJ046378 3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4':4,5-Bis(methylene) ether C20H12O7 364.058302 NA MeJP NA NA +MJ046379 3,3',4,4',5'-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3,4:3',4'-Bis(methylene) ether C20H12O7 364.058302 NA MeJP NA NA +MJ046380 3,3',4,4',7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3,4:3',4'-Bis(methylene) ether C20H12O7 364.058302 NA MeJP NA NA +MJ046381 3,3',4,4',9'-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide, 3,4:3',4'-Bis(methylene ether) C20H12O7 364.058302 NA MeJP NA NA +MJ046382 Mycochrysone C20H12O7 364.058302 NA MeJP NA NA +MJ046383 Pachyrrhizone, 6a,13a-Didehydro C20H12O7 364.058302 NA MeJP NA NA +MJ046384 Palmarumycin C15; 3,6-Diketone C20H12O7 364.058302 NA MeJP NA NA +MJ046385 Palmarumycin C15; 3,7-Diketone C20H12O7 364.058302 NA MeJP NA NA +MJ046386 Preussomerin A; 1'-Ketone C20H12O7 364.058302 NA MeJP NA NA +MJ046387 Preussomerin A; 1-Ketone C20H12O7 364.058302 NA MeJP NA NA +MJ046388 Preussomerin A; 2',3'-Dihydro, 1,1'-diketone C20H12O7 364.058302 NA MeJP NA NA +MJ046389 Spiroxin D C20H12O7 364.058302 NA MeJP NA NA +MJ046390 Stemphyltoxin I; 1,2-Epoxy C20H12O7 364.058302 NA MeJP NA NA +MJ046391 Nucleocidin C10H13FN6O6S 364.060131 NA MeJP NA NA +MJ046392 Hamigeran B C18H21BrO3 364.067407 NA MeJP NA NA +MJ046393 Radicicol C18H17ClO6 364.071365 NA MeJP NA NA +MJ046394 Tolgabide C18H18Cl2N2O2 364.074533 NA MeJP NA NA +MJ046395 Bergaptol; O-?-D-Glucopyranoside C17H16O9 364.079432 NA MeJP NA NA +MJ046396 Xanthotoxol; O-?-D-Glucopyranoside C17H16O9 364.079432 NA MeJP NA NA +C10955 Sulfometuron methyl C15H16N4O5S 364.0841 NA KEGG NA NA +CJpos0776 1-methyluric acid [(2M+H)]+ C12H13N8O6 364.087475 C18rt(min)=4.07 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0776 1-methyluric acid [(2M+H)]+ C12H13N8O6 364.087475 C18rt(min)=4.07 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJneg0560 1-methyluric acid [(2M-H)]- C12H11N8O6 364.088525 C18rt(min)=4.07 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0560 1-methyluric acid [(2M-H)]- C12H11N8O6 364.088525 C18rt(min)=4.07 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ046397 Ulbactin B C17H20N2O3S2 364.091533 NA MeJP NA NA +FLIAACNP0002 Robustone C21H16O6 364.09468 22044-56-0 knapsack NA NA +FLIAACNP0006 5-Hydroxy-3',4'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone C21H16O6 364.09468 106009-67-0 knapsack NA NA +FLIEBANP0001 Gancaonin F C21H16O6 364.09468 126716-33-4 knapsack NA NA +MJ046398 3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4'-Methylene, 4,5-di-Me ether C21H16O6 364.094688 NA MeJP NA NA +MJ046399 3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 4,5-Methylene, 3',4'-di-Me ether C21H16O6 364.094688 NA MeJP NA NA +MJ046400 3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4'-Methylene, 4,5-di-Me ether C21H16O6 364.094688 NA MeJP NA NA +MJ046401 3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4,5-Methylene, 3',4'-di-Me ether C21H16O6 364.094688 NA MeJP NA NA +MJ046402 Calopogoniumisoflavone B; 5-Hydroxy C21H16O6 364.094688 NA MeJP NA NA +MJ046403 Gancaonin F C21H16O6 364.094688 NA MeJP NA NA +MJ046404 Gerberinol 1 C21H16O6 364.094688 NA MeJP NA NA +MJ046405 Isojamaicin; O-De-Me C21H16O6 364.094688 NA MeJP NA NA +MJ046406 Justicin B C21H16O6 364.094688 NA MeJP NA NA +MJ046407 Penioflavin C21H16O6 364.094688 NA MeJP NA NA +MJ046408 Robustone C21H16O6 364.094688 NA MeJP NA NA +C10636 Justicidin B C21H16O6 364.0947 NA KEGG NA NA +MJ046409 Ritrosulfan C10H24N2O8S2 364.097407 NA MeJP NA NA +CJpos0777 Sucrose (and isomers) [(M+Na)]+ C12H22NaO11 364.097575 C18rt(min)=0.95 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0777 Sucrose (and isomers) [(M+Na)]+ C12H22NaO11 364.097575 C18rt(min)=0.95 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ046410 18-Bromo-15,17-octadecadiene-5,7-diynoic acid, Me ester C19H25BrO2 364.103792 NA MeJP NA NA +MJ046411 18-Bromo-5,7,17-octadecatriynoic acid; Me ester C19H25BrO2 364.103792 NA MeJP NA NA +MJ046412 18-Bromo-9,17-octadecadiene-7,15-diynoic acid, Me ester C19H25BrO2 364.103792 NA MeJP NA NA +PJ000560 CNE C12H20N4O7S 364.1053 NA PeJP NA NA +C17939 10-Hydroxycamptothecin C20H16N2O5 364.1059 NA KEGG NA NA +MJ046413 Camptothecin, 10-Hydroxy C20H16N2O5 364.105921 NA MeJP NA NA +MJ046414 Camptothecin, 11-Hydroxy C20H16N2O5 364.105921 NA MeJP NA NA +MJ046415 Camptothecin, 18-Hydroxy C20H16N2O5 364.105921 NA MeJP NA NA +MJ046416 Bumetanide C17H20N2O5S 364.109292 NA MeJP NA NA +MJ046417 Pheneticillin C17H20N2O5S 364.109292 NA MeJP NA NA +MJ046418 2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1'-Benzoyl, 3,4-di-Ac C18H20O8 364.115817 NA MeJP NA NA +MJ046419 4-[2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxybenzoic acid C18H20O8 364.115817 NA MeJP NA NA +MJ046420 Inumakilactone A C18H20O8 364.115817 NA MeJP NA NA +MJ046421 Maderone C18H20O8 364.115817 NA MeJP NA NA +CJneg0561 Hydroxyphenyllactic acid [(2M-H)]- C18H19O8 364.116325 C18rt(min)=5.22 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0561 Hydroxyphenyllactic acid [(2M-H)]- C18H19O8 364.116325 C18rt(min)=5.22 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ046422 Zidometacin C19H16N4O4 364.117155 NA MeJP NA NA +PJ000561 GCW C16H20N4O4S 364.1205 NA PeJP NA NA +PJ000562 GSSD C12H20N4O9 364.123 NA PeJP NA NA +FL3FBBNP0001 Carpachromene dimethyl ether;Di-O-methylcarpachromene;5-Methoxy-8-(4-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one C22H20O5 364.13107 61828-61-3 knapsack NA NA +FL5F29NP0001 3,6-Dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone C22H20O5 364.13107 61755-75-7 knapsack NA NA +FL5FA9NP0002 3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C22H20O5 364.13107 329014-32-6 knapsack NA NA +FLIABBNP0001 Alpinumisoflavone dimethyl ether C22H20O5 364.13107 34086-56-1 knapsack NA NA +MJ046423 2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-Benzoyl C22H20O5 364.131073 NA MeJP NA NA +MJ046424 3,6-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C22H20O5 364.131073 NA MeJP NA NA +MJ046425 Alpinumisoflavone; Di-Me ether C22H20O5 364.131073 NA MeJP NA NA +MJ046426 Aspulvinone I C22H20O5 364.131073 NA MeJP NA NA +MJ046427 Bidwillon C; 6-Methoxy, Me ether C22H20O5 364.131073 NA MeJP NA NA +MJ046428 Bitalin A, 12-O-(4-Hydroxycinnamoyl)(E-) C22H20O5 364.131073 NA MeJP NA NA +MJ046429 Karanjachromene; 5-Methoxy C22H20O5 364.131073 NA MeJP NA NA +MJ046430 Tephroglabrin C22H20O5 364.131073 NA MeJP NA NA +MJ046431 Thonninginisoflavone C22H20O5 364.131073 NA MeJP NA NA +MJ046432 Clofoctol C21H26Cl2O 364.13607 NA MeJP NA NA +MJ046433 Dihydrocatalpolgenin; 1-O-?-D-Glucopyranoside(1?-) C15H24O10 364.136946 NA MeJP NA NA +MJ046434 Harpagide C15H24O10 364.136946 NA MeJP NA NA +MJ046435 Physoside C15H24O10 364.136946 NA MeJP NA NA +MJ046436 Diaziquone C16H20N4O6 364.138284 NA MeJP NA NA +MJ046437 Aplysiadiol; 15-Deoxy, 15,16-didehydro C20H29BrO 364.140178 NA MeJP NA NA +PJ000563 SQM C13H24N4O6S 364.1417 NA PeJP NA NA +MJ046438 Kopsinitarine A; Decarbomethoxy C21H20N2O4 364.142307 NA MeJP NA NA +MJ046439 Mitralactonal C21H20N2O4 364.142307 NA MeJP NA NA +MJ046440 Mitralactonine C21H20N2O4 364.142307 NA MeJP NA NA +MJ046441 Talbotine; 3,4,5,6-Tetradehydro C21H20N2O4 364.142307 NA MeJP NA NA +MJ046442 Vallesiachotamine lactone C21H20N2O4 364.142307 NA MeJP NA NA +MJ046443 3-(Methylthio)phomamide C18H24N2O4S 364.145677 NA MeJP NA NA +MJ046444 N-Acetylmuramoyl-Ala C14H24N2O9 364.14818 NA MeJP NA NA +C02999 N-Acetylmuramoyl-Ala C14H24N2O9 364.1482 NA KEGG NA NA +C03000 N-Acyl-D-glucosamine C7H12NO6R 364.1482 NA KEGG NA NA +C03579 Gibberellin A8 C19H24O7 364.1522 NA KEGG NA NA +C09585 Vernomygdin C19H24O7 364.1522 NA KEGG NA NA +C09607 Zexbrevin B C19H24O7 364.1522 NA KEGG NA NA +MJ046445 Gibberellin 8 C19H24O7 364.152203 NA MeJP NA NA +MJ046446 1,10-Epoxy-4,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046447 1,10:14,15-Diepoxy-6,14-dihydroxy-4,11(13)-germacradien-12,8-olide, 6-(2-Methylpropanoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046448 1,10:14,15-Diepoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 11?,13-Dihydro, 8-(2-methylpropenoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046449 1,15-Dihydroxy-9,11(13)-germacradiene-12,6:14,8-diolide, 1-(2-Methylpropanoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046450 1,2,8-Trihydroxy-3,11(13)-eudesmadien-12,6-olide, 1-(2-Hydroxymethylpropenoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046451 1,3,13-Trihydroxy-4(15),7(11)-eudesmadien-12,6-olide, 3,13-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046452 1,3,13-Trihydroxy-4,7(11),10(14)-germacratrien-12,6-olide, 3,13-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046453 1,3,13-Trihydroxy-4,7(11),10(14)-germacratrien-12,6-olide, 1,3-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046454 1,3,13-Trihydroxy-4,7(11),10(14)-germacratrien-12,6-olide, 3,13-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046455 1,3,13-Trihydroxy-4,7(11),9-germacratrien-12,6-olide, 3,13-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046456 1,3,9-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 1,9-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046457 1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 9-(2-Methylpropanoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046458 1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046459 1,8,13-Trihydroxy-4,7(11),9-germacratrien-12,6-olide, 8,13-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046460 1,8,15-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8,15-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046461 1,8,15-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8,15-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046462 1,8-Dihydroxy-15-oxo-11(13)-eudesmen-12,6-olide, 8-(3-Hydroxy-2-methylenepropanoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046463 1,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,6-olide, 11?,13-Dihydro, 8-(2,3-epoxy-2-methylpropanoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046464 11,13-Dihydroxy-3-oxo-10(14)-guaien-12,6-olide, 11,13-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046465 2,9,10-Trihydroxy-3,11(13)-guaiadien-12,6-olide, 2,9-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046466 3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046467 3,13-Dihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 1R,10S-Epoxide, di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046468 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3-Me ether C19H24O7 364.152203 NA MeJP NA NA +MJ046469 3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046470 3,4,8-Trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046471 3,4-Epoxy-2,8-dihydroxy-10-guaien-12,6-olide, Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046472 3,8,10-Trihydroxy-1,4,11(13)-germacratrien-12,6-olide, 1?,2?-Epoxide, 3-ketone, 8-(2-methylpropanoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046473 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Epoxide, di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046474 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2,3-Dihydroxy-2-methylpropanoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046475 3,9,13-Trihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 3,9-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046476 4,15-Dihydroxy-11(13)-pseudoguaien-12,6-olide, 14-Acetoxy, 4-ketone, 15-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046477 4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2-Hydroxymethylpropenoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046478 4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2,3-Epoxy-2-methylpropanoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046479 4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2-Hydroxymethylpropenoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046480 4,5-Epoxy-2,6-dihydroxy-1(10),11(13)-germacradien-12,8-olide, Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046481 4,5-Epoxy-8,13-dihydroxy-1(10),7(11)-germacradien-12,6-olide, Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046482 4,6,9-Trihydroxy-1(10),2-guaiadien-12,8-olide, 6,9-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046483 4,8,13-Trihydroxy-7(11)-bourbonen-12,6-olide, 8,13-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046484 5-Tridecene-7,9,11-triyne-1,2-diol, 2-O-?-D-Glucopyranoside C19H24O7 364.152203 NA MeJP NA NA +MJ046485 6,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14,15-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046486 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 3,4R-Epoxide, 6-(2-methylpropanoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046487 8,10-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 10-Hydroperoxide, 8-(2-methylpropanoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046488 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14,15-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046489 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8,14-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046490 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8,15-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046491 8,9,10-Trihydroxy-3,11(13)-guaiadien-12,6-olide, 8,9-Di-Ac C19H24O7 364.152203 NA MeJP NA NA +MJ046492 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) C19H24O7 364.152203 NA MeJP NA NA +MJ046493 Ailanquassin A C19H24O7 364.152203 NA MeJP NA NA +MJ046494 Antibiotic LL-Z1640-2; 5,6-Dihydro C19H24O7 364.152203 NA MeJP NA NA +MJ046495 Antibiotic LL-Z1640-2; 7-Alcohol C19H24O7 364.152203 NA MeJP NA NA +MJ046496 Antibiotic LL-Z1640-2; 9-Epimer, 11,12-dihydro C19H24O7 364.152203 NA MeJP NA NA +MJ046497 Antibiotic LL-Z1640-2; 9-Epimer, 5E-isomer, 11,12-dihydro C19H24O7 364.152203 NA MeJP NA NA +MJ046498 Cedronolactone B C19H24O7 364.152203 NA MeJP NA NA +MJ046499 Eurycomalactone; 6?-Hydroxy C19H24O7 364.152203 NA MeJP NA NA +MJ046500 Gibberellin A16; 1-Epimer, 2?-hydroxy C19H24O7 364.152203 NA MeJP NA NA +MJ046501 Gibberellin A16; 13-Hydroxy C19H24O7 364.152203 NA MeJP NA NA +MJ046502 Gibberellin A1; 15?-Hydroxy C19H24O7 364.152203 NA MeJP NA NA +MJ046503 Gibberellin A20; 2?,15?-Dihydroxy C19H24O7 364.152203 NA MeJP NA NA +MJ046504 Gibberellin A3; 12?-Hydroxy, 1,2-dihydro C19H24O7 364.152203 NA MeJP NA NA +MJ046505 Gibberellin A49 C19H24O7 364.152203 NA MeJP NA NA +MJ046506 Gibberellin A4; 2?,11?-Dihydroxy C19H24O7 364.152203 NA MeJP NA NA +MJ046507 Gibberellin A61; 2?,13-Dihydroxy C19H24O7 364.152203 NA MeJP NA NA +MJ046508 Gibberellin A8 C19H24O7 364.152203 NA MeJP NA NA +MJ046509 Gibberellin A9; 1?,3?,12?-Trihydroxy C19H24O7 364.152203 NA MeJP NA NA +MJ046510 Inumakilactone E C19H24O7 364.152203 NA MeJP NA NA +MJ046511 Nagilactone A; 1-Deoxy, 2?,3?-dihydroxy C19H24O7 364.152203 NA MeJP NA NA +MJ046512 Nagilactone A; 2?-Hydroxy C19H24O7 364.152203 NA MeJP NA NA +MJ046513 Nagilactone A; 3?-Hydroxy C19H24O7 364.152203 NA MeJP NA NA +MJ046514 Nagilactone F; 3?,16-Dihydroxy, 7?,8?-epoxide C19H24O7 364.152203 NA MeJP NA NA +MJ046515 Polyandrol; 15-Deoxy C19H24O7 364.152203 NA MeJP NA NA +MJ046516 Polyandrol; 5-Epimer, 15-deoxy C19H24O7 364.152203 NA MeJP NA NA +MJ046517 Samaderine C C19H24O7 364.152203 NA MeJP NA NA +MJ046518 Tomentellin; ?3',9'-Isomer, 2'-hydroperoxy C19H24O7 364.152203 NA MeJP NA NA +MJ046519 Vernopinguisolide C19H24O7 364.152203 NA MeJP NA NA +MetaCyc03209 GA8 [gibberellin A8;gibberellin A8;GA8;] C19H24O7 364.152203 NA metacyc NA NA +PJ000564 SCR C12H24N6O5S 364.1529 NA PeJP NA NA +MJ046520 N-(Aminoiminomethyl)-8-(2-methoxyethoxy)-2-phenyl-4-quinolinecarboxamide C20H20N4O3 364.15354 NA MeJP NA NA +PJ000565 GSTT C13H24N4O8 364.1594 NA PeJP NA NA +MJ046521 Cinepazic acid C18H24N2O6 364.163436 NA MeJP NA NA +C16507 (10S)-Juvenile hormone III diol phosphate C16H29O7P 364.1651 NA KEGG NA NA +MJ046522 2,3-Dihydro-1,4,9-trimethoxy-7-phenyl-1H-phenalene; 4'-Methoxy C23H24O4 364.167459 NA MeJP NA NA +MJ046523 3,3',5-Trihydroxy-2-(4-hydroxybenzyl)bibenzyl; 3,3'-Di-Me ether C23H24O4 364.167459 NA MeJP NA NA +MJ046524 Clusiachromene C C23H24O4 364.167459 NA MeJP NA NA +MJ046525 Clusiacitran A C23H24O4 364.167459 NA MeJP NA NA +MJ046526 Clusiacyclol A C23H24O4 364.167459 NA MeJP NA NA +MJ046527 Cudraphenone A C23H24O4 364.167459 NA MeJP NA NA +MJ046528 Cyclofenil C23H24O4 364.167459 NA MeJP NA NA +MJ046529 Drupanin; 4-O-(3-Phenylpropanoyl) C23H24O4 364.167459 NA MeJP NA NA +MJ046530 Isovismiaphenone B C23H24O4 364.167459 NA MeJP NA NA +MJ046531 Paralycolin A; 4-Me ether C23H24O4 364.167459 NA MeJP NA NA +MJ046532 Vismiaphenone B C23H24O4 364.167459 NA MeJP NA NA +C14345 Bisphenol A dimethacrylate C23H24O4 364.1675 NA KEGG NA NA +PJ000566 AQF C17H24N4O5 364.1747 NA PeJP NA NA +7484 ACE inhibitor (fr, of as2-casein, 189-192) AMPKPW 364.1772 MH2+ Inhouse_peptide NA peptide +PJ000567 SKM C14H28N4O5S 364.1781 NA PeJP NA NA +MJ046533 ?-Colubrine C22H24N2O3 364.178692 NA MeJP NA NA +MJ046534 Dehydrovoachalotine C22H24N2O3 364.178692 NA MeJP NA NA +MJ046535 Icajine C22H24N2O3 364.178692 NA MeJP NA NA +MJ046536 Pseudostrychnine; Me ether C22H24N2O3 364.178692 NA MeJP NA NA +MJ046537 Tribuzone C22H24N2O3 364.178692 NA MeJP NA NA +MJ046538 Vomilenine; Deoxy, 10-methoxy C22H24N2O3 364.178692 NA MeJP NA NA +MJ046539 ?-Colubrine C22H24N2O3 364.178692 NA MeJP NA NA +MJ046540 Toxiferine VIII C22H25N2O3(+) 364.178692 NA MeJP NA NA +C12073 11-Methoxy-vinorine C22H24N2O3 364.1787 NA KEGG NA NA +C14957 3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one C21H29ClO3 364.1805 NA KEGG NA NA +C15023 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate C21H29ClO3 364.1805 NA KEGG NA NA +MJ046541 Clogestone C21H29ClO3 364.180522 NA MeJP NA NA +MJ046542 Clostebol; Ac C21H29ClO3 364.180522 NA MeJP NA NA +MJ046543 Hydromadinone C21H29ClO3 364.180522 NA MeJP NA NA +MJ046544 Gibberellin 44 diacid C20H28O6 364.188588 NA MeJP NA NA +MJ046545 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 4?,5-Dihydro, 8-angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046546 1,10-Epoxy-3,8-dihydroxy-4-germacren-12,6-olide, 8-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046547 1,2,11-Trihydroxy-4-eudesmen-12,6-olide, 11-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046548 1,2,3-Trihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 2-(2-Methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046549 1,2,3-Trihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-(2-Methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046550 1,4,11-Trihydroxy-2-eudesmen-12,6-olide, 11-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046551 1,4,14-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ketone, 14-(2-methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046552 1,4,14-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ketone, 14-(3-methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046553 1,4,6-Trihydroxy-11(13)-eudesmen-12,8-olide, 6-(3-Methyl-2-butenoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046554 1,4,6-Trihydroxy-11(13)-eudesmen-12,8-olide, 6-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046555 1,4,8-Trihydroxy-11(13)-eudesmen-12,6-olide, 8-O-Tigloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046556 1,5,6,7,14-Vouacapanepentol, 1-Ketone C20H28O6 364.188588 NA MeJP NA NA +MJ046557 1,5,8-Trihydroxy-4(15)-eudesmen-12,6-olide, 8-(3-Methyl-2-butenoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046558 1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide, 6-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046559 1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 6-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046560 1,7,11,14-Tetrahydroxy-15-oxo-16-kauren-20-al C20H28O6 364.188588 NA MeJP NA NA +MJ046561 1,7,14,18,20-Pentahydroxy-16-kauren-15-one, 18-Aldehyde C20H28O6 364.188588 NA MeJP NA NA +MJ046562 1,8,10-Trihydroxy-7(11)-eremophilen-12,8-olide, 1-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046563 1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(3-Hydroxy-3-methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046564 13,16-Epoxy-7,12-dihydroxy-6,14-dioxo-3-cleroden-15-al C20H28O6 364.188588 NA MeJP NA NA +MJ046565 13-Hydroxyingenol C20H28O6 364.188588 NA MeJP NA NA +MJ046566 14,15-Epoxy-7-hydroxy-3-cleroden-16,15-olid-18-oic acid C20H28O6 364.188588 NA MeJP NA NA +MJ046567 15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide C20H28O6 364.188588 NA MeJP NA NA +MJ046568 16-Hydroxyingenol C20H28O6 364.188588 NA MeJP NA NA +MJ046569 18-Oxo-2,6,10,14-phytatetraene-1,16-dioic acid, 18-Carboxylic acid C20H28O6 364.188588 NA MeJP NA NA +MJ046570 19,20-Epoxy-1,7,14,20-tetrahydroxy-16-kauren-15-one C20H28O6 364.188588 NA MeJP NA NA +MJ046571 2,3,8-Trihydroxy-2,3-seco-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046572 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Tigloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046573 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 6-(3-Methylbutenoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046574 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 6-Tigloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046575 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046576 2,6,9-Trihydroxy-1(10),4,11-germacratrien-12,8-olide, 6-(2-Methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046577 3,4,8-Trihydroxy-7(11)-eudesmen-12,8-olide, 3-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046578 3,4-Epoxy-1,11-dihydroxy-7(14),9-bisaboladiene-2,8-dione, 1-(3-Methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046579 3,4:18,19-Diepoxy-18,19-dihydroxy-13-cleroden-15,16-olide C20H28O6 364.188588 NA MeJP NA NA +MJ046580 3,4:18,19-Diepoxy-2,19-dihydroxy-13-cleroden-15,16-olide C20H28O6 364.188588 NA MeJP NA NA +MJ046581 3,5,7-Trihydroxy-p-menth-1-en-6-one, 3,7-Ditigloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046582 3,5,7-Trihydroxy-p-menth-1-en-6-one, 5-Tigloyl, 3-angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046583 3,6,8-Trihydroxy-1(10),7(11)-eremophiladien-12,8-olide, 8-Me ether, 6-(2-methylpropanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046584 3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046585 3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 6-Tigloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046586 3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046587 3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 6-Tigloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046588 3,6,9-Trihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046589 3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-(2,3-Epoxy-2-methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046590 3,8,10-Trihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046591 4,5-Epoxy-3,8-dihydroxy-1(10)-germacren-12,6-olide, 8-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046592 4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 9-(2-Methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046593 4,7(11)-Muuroladiene-3,9,12-triol, 12-Formyl, 3,9-di-Ac C20H28O6 364.188588 NA MeJP NA NA +MJ046594 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one C20H28O6 364.188588 NA MeJP NA NA +MJ046595 5,11-Epoxy-2,4-dihydroxy-12,8-guaianolide, 2-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046596 6,14-Dihydroxy-1,3,11(13)-elematrien-12,8-olide, 14-(2-Hydroxy-3-methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046597 6,7,14,15-Tetrahydroxy-16-kauren-20,7-olide C20H28O6 364.188588 NA MeJP NA NA +MJ046598 6,9,15-Trihydroxy-1,3,11(13)-elematrien-12,8-olide, 9-(2-Methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046599 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro, 6-(2-methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046600 6-Hydroxyisochilolide C20H28O6 364.188588 NA MeJP NA NA +MJ046601 6-Hydroxysecomacrolide, 6-(3-Methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046602 6-Hydroxysecomacrolide, 8-Epimer, 6-(3-methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046603 7,11,12,14,18-Pentahydroxy-16-kauren-15-one, 11-Ketone C20H28O6 364.188588 NA MeJP NA NA +MJ046604 7,12,14-Trihydroxy-15-oxo-16-kauren-18-al, 18-Carboxylic acid C20H28O6 364.188588 NA MeJP NA NA +MJ046605 7,15-Dihydroxy-3,13-clerodadien-15,16-olid-18-oic acid C20H28O6 364.188588 NA MeJP NA NA +MJ046606 7,20-Epoxy-1,6,7,14-tetrahydroxy-16-kauren-15-one C20H28O6 364.188588 NA MeJP NA NA +MJ046607 7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 15-Ketone C20H28O6 364.188588 NA MeJP NA NA +MJ046608 7,20-Epoxy-16-kaurene-6,7,11,14,15-pentol, 15-Ketone C20H28O6 364.188588 NA MeJP NA NA +MJ046609 7,20-Epoxy-6,7,14,18-tetrahydroxy-16-kauren-15-one C20H28O6 364.188588 NA MeJP NA NA +MJ046610 7,8-Epoxy-3,6-dihydroxy-12,8-eremophilanolide, 6-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046611 8,10-Dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046612 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046613 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 15-(2-Methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046614 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-3-methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046615 8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(4-Hydroxy-2-methyl-2-butenoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046616 8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046617 8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046618 8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(4-Hydroxy-2-methylenebutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046619 8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2-Methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046620 8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046621 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-(2,3-Dihydroxy-2-methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046622 9,10-Dihydroxy-5-oxo-11(13)-germacren-12,8-olide, 8-(3-Methyl-2-butenoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046623 9,10-Dihydroxy-5-oxo-11(13)-germacren-12,8-olide, 8-Angeloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046624 9,10-Dihydroxy-5-oxo-11(13)-germacren-12,8-olide, 8-Tigloyl C20H28O6 364.188588 NA MeJP NA NA +MJ046625 9,10-Epoxy-5,8-dihydroxy-11(13)-germacren-12,6-olide, 8-(2-Methyl-2-butenoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046626 9,10-Epoxy-5,8-dihydroxy-11(13)-germacren-12,6-olide, 8-(3-Methyl-2-butenoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046627 9,13:15,16-Diepoxy-15-hydroxy-3-oxo-19,6-labdanolide C20H28O6 364.188588 NA MeJP NA NA +MJ046628 Amarolide C20H28O6 364.188588 NA MeJP NA NA +MJ046629 Annonalide; 15?-Alcohol C20H28O6 364.188588 NA MeJP NA NA +MJ046630 Azoricin C20H28O6 364.188588 NA MeJP NA NA +MJ046631 Castelanolide C20H28O6 364.188588 NA MeJP NA NA +MJ046632 Chaparrolide; 1-Ketone C20H28O6 364.188588 NA MeJP NA NA +MJ046633 Chaparrolide; 2-Ketone, 1,12-diepimer C20H28O6 364.188588 NA MeJP NA NA +MJ046634 Cinncassiol A; 19-Deoxy, 1-ketone C20H28O6 364.188588 NA MeJP NA NA +MJ046635 Cinncassiol C1; 19-Deoxy C20H28O6 364.188588 NA MeJP NA NA +MJ046636 Coetsoidin C; 6?-Hydroxy, 20-epimer, O-de-Me C20H28O6 364.188588 NA MeJP NA NA +MJ046637 Coetsoidin C; 6?-Hydroxy, O-de-Me C20H28O6 364.188588 NA MeJP NA NA +MJ046638 Excoecarin M C20H28O6 364.188588 NA MeJP NA NA +MJ046639 Furanoeudesmane-3,4,6-triol, 3-(2,3-Epoxy-2-methylbutanoyl) C20H28O6 364.188588 NA MeJP NA NA +MJ046640 Gelomulolide I C20H28O6 364.188588 NA MeJP NA NA +MJ046641 Gibberellin A53; 12?-Hydroxy C20H28O6 364.188588 NA MeJP NA NA +MJ046642 Gibberellin A53; 15?-Hydroxy C20H28O6 364.188588 NA MeJP NA NA +MJ046643 Gibberellin A53; 2?-Hydroxy C20H28O6 364.188588 NA MeJP NA NA +MJ046644 Gibberellin A53; 3?-Hydroxy C20H28O6 364.188588 NA MeJP NA NA +MJ046645 Gibberellin A74 C20H28O6 364.188588 NA MeJP NA NA +MJ046646 Helioxenicin C C20H28O6 364.188588 NA MeJP NA NA +MJ046647 Hymenoratin D C20H28O6 364.188588 NA MeJP NA NA +MJ046648 Klaineanone C20H28O6 364.188588 NA MeJP NA NA +MJ046649 Longirabdolide A C20H28O6 364.188588 NA MeJP NA NA +MJ046650 Longirabdolide B C20H28O6 364.188588 NA MeJP NA NA +MJ046651 Melicopol; 4-Me ether C20H28O6 364.188588 NA MeJP NA NA +MJ046652 Nepetaefolinol C20H28O6 364.188588 NA MeJP NA NA +MJ046653 Nodosin; 11-Epimer, 15?-alcohol C20H28O6 364.188588 NA MeJP NA NA +MJ046654 Ponicidin; 16?,17-Dihydro C20H28O6 364.188588 NA MeJP NA NA +MJ046655 Rabdosichuanin C C20H28O6 364.188588 NA MeJP NA NA +MJ046656 Sculponeatin D; 11,19-Dideoxy C20H28O6 364.188588 NA MeJP NA NA +MJ046657 Secobriarellin C20H28O6 364.188588 NA MeJP NA NA +MJ046658 Secomacrotolide; 6?-(3-Methylbutanoyloxy) C20H28O6 364.188588 NA MeJP NA NA +MJ046659 Trichorabdonin; 16-Deoxy C20H28O6 364.188588 NA MeJP NA NA +MetaCyc03210 GA44 [gibberellin A44;gibberellin A44;GA44;GA44 open lactone form;gibberellin A44 open lactone form;GA44 free alcohol form;gibberellin A44 free alcohol form;] C20H28O6 364.188589 NA metacyc NA NA +MetaCyc03211 GA37 [gibberellin A37;gibberellin A37;GA37;] C20H28O6 364.188589 NA metacyc NA NA +MetaCyc03212 GA97 [gibberellin A97;gibberellin A97;GA97;] C20H28O6 364.188589 NA metacyc NA NA +C06095 Gibberellin A44 diacid C20H28O6 364.1886 NA KEGG NA NA +C09155 Phorbol C20H28O6 364.1886 NA KEGG NA NA +C09178 Resiniferonol C20H28O6 364.1886 NA KEGG NA NA +C09414 Eriolangin C20H28O6 364.1886 NA KEGG NA NA +C09535 Pycnolide C20H28O6 364.1886 NA KEGG NA NA +C11859 Gibberellin A37 open lactone C20H28O6 364.1886 NA KEGG NA NA +C17642 Cinncassiol C2 C20H28O6 364.1886 NA KEGG NA NA +MJ046660 Pelanserin C21H24N4O2 364.189926 NA MeJP NA NA +MJ046661 4-[6-(2-Chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole C20H29ClN2O2 364.191755 NA MeJP NA NA +MJ046662 1,18-Diisothiocyanato-1,17-octadecadiene C20H32N2S2 364.20069 NA MeJP NA NA +MJ046663 N-[[2-Methoxy-5-(1H-tetrazol-1-yl)phenyl]methyl]-2-phenyl-3-piperidinamine C20H24N6O 364.201159 NA MeJP NA NA +MJ046664 3-(1,1-Dimethyl-2-propenyl)-8-(3-methyl-2-butenyl)xanthyletin C24H28O3 364.203844 NA MeJP NA NA +MJ046665 4-Geranyl-3,4',5-trihydroxystilbene C24H28O3 364.203844 NA MeJP NA NA +MJ046666 4-[3-(3,5-Di-tert-butylphenyl)-3-oxo-1-propenyl]benzoic acid C24H28O3 364.203844 NA MeJP NA NA +MJ046667 5-Hydroxy-7-[2-(4-hydroxyphenyl)ethyl]-6-(3-methyl-2-butenyl)-2H-1-benzopyran C24H28O3 364.203844 NA MeJP NA NA +MJ046668 5-Hydroxy-7-[2-(4-hydroxyphenyl)ethyl]-8-(3-methyl-2-butenyl)-2H-1-benzopyran C24H28O3 364.203844 NA MeJP NA NA +MJ046669 Chiricanin D C24H28O3 364.203844 NA MeJP NA NA +MJ046670 Chiricanin E C24H28O3 364.203844 NA MeJP NA NA +MJ046671 Ferprenin C24H28O3 364.203844 NA MeJP NA NA +MJ046672 Spirorenone C24H28O3 364.203844 NA MeJP NA NA +MJ046673 Flugestone C21H29FO4 364.204987 NA MeJP NA NA +C15172 6alpha-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione C21H29FO4 364.205 NA KEGG NA NA +C15380 9-Fluoro-11beta,16alpha-dihydroxypregn-4-ene-3,20-dione C21H29FO4 364.205 NA KEGG NA NA +2584 tenecin-1 (34-42) CNGKRVCVCG 364.20795 MH2+ Inhouse_peptide NA peptide +PJ000568 AKF C18H28N4O4 364.2111 NA PeJP NA NA +MJ046674 Cylindricine H C20H32N2O2S 364.218448 NA MeJP NA NA +MJ046675 Cylindricine J C20H32N2O2S 364.218448 NA MeJP NA NA +MJ046676 11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione C21H32O5 364.224974 NA MeJP NA NA +MJ046677 11beta,17alpha,21-Trihydroxypregnenolone C21H32O5 364.224974 NA MeJP NA NA +MJ046678 3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al C21H32O5 364.224974 NA MeJP NA NA +MJ046679 Urocortisone C21H32O5 364.224974 NA MeJP NA NA +MJ046680 1,20-Epoxy-1,3(20),10,14-phytatetraene-18,19-dioic acid, 10,11-Dihydro, 18-Me ester C21H32O5 364.224974 NA MeJP NA NA +MJ046681 11,17,20,21-Tetrahydroxypregn-4-en-3-one C21H32O5 364.224974 NA MeJP NA NA +MJ046682 11,17,21-Trihydroxypregnane-3,20-dione C21H32O5 364.224974 NA MeJP NA NA +MJ046683 15,16-Epoxy-3,14,15-trihydroxy-15,16-secopregn-5-en-20-one C21H32O5 364.224974 NA MeJP NA NA +MJ046684 15,16-Epoxy-4,6-dihydroxy-13(16),14-clerodadien-18-oic acid, Me ester C21H32O5 364.224974 NA MeJP NA NA +MJ046685 2,4,6-Trihydroxy-3,5-diprenylacetophenone; 2'',3''-Dihydro, 1''?-ethoxy, 2-Me ether C21H32O5 364.224974 NA MeJP NA NA +MJ046686 2-Oxo-3-clerodene-15,18-dioic acid, 18-Me ester C21H32O5 364.224974 NA MeJP NA NA +MJ046687 3,11,12,14-Tetrahydroxypregn-5-en-20-one C21H32O5 364.224974 NA MeJP NA NA +MJ046688 3,12,14,17-Tetrahydroxypregn-5-en-20-one C21H32O5 364.224974 NA MeJP NA NA +MJ046689 3,12,19-Trihydroxy-8(17),13-labdadien-16,15-olide, 12-Me ether C21H32O5 364.224974 NA MeJP NA NA +MJ046690 3,14,16,17-Tetrahydroxypregn-5-en-20-one C21H32O5 364.224974 NA MeJP NA NA +MJ046691 3,14,17,21-Tetrahydroxypregn-5-en-20-one C21H32O5 364.224974 NA MeJP NA NA +MJ046692 3,15-Dihydroxy-4,6,8,14-tetramethyl-5,9-dioxo-10,12-heptadecadienoic acid; 1,15-Lactone C21H32O5 364.224974 NA MeJP NA NA +MJ046693 3,17,21-Trihydroxypregnane-11,20-dione C21H32O5 364.224974 NA MeJP NA NA +MJ046694 3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 10'S-Methoxy C21H32O5 364.224974 NA MeJP NA NA +MJ046695 3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 11'-Hydroxy, 6-Me ether C21H32O5 364.224974 NA MeJP NA NA +MJ046696 3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 6'-Hydroxy, 6-Me ether C21H32O5 364.224974 NA MeJP NA NA +MJ046697 3,8,12,14-Tetrahydroxypregn-5-en-20-one C21H32O5 364.224974 NA MeJP NA NA +MJ046698 5,16-Dihydroxy-12-oxo-13-cassen-19-oic acid; 5?-form, Me ester C21H32O5 364.224974 NA MeJP NA NA +MJ046699 5-Tridecyl-1,3-benzenediol; 2'?-Acetoxy, 8'-oxo C21H32O5 364.224974 NA MeJP NA NA +MJ046700 6,7-Dihydroxy-2-oxo-3,13-clerodadien-15-oic acid, Me ester C21H32O5 364.224974 NA MeJP NA NA +MJ046701 6-(2,12-Dihydroxytridecyl)-2,4-dihydroxybenzoic acid, 12'-Deoxy, 2'-ketone, 4-Me ether C21H32O5 364.224974 NA MeJP NA NA +MJ046702 6-Hydroxy-13-cleroden-15,16-olid-18-oic acid, Me ester C21H32O5 364.224974 NA MeJP NA NA +MJ046703 8,14-Epoxy-3,11,12-trihydroxypregnan-20-one C21H32O5 364.224974 NA MeJP NA NA +MJ046704 8,17:14,15-Diepoxy-3-hydroxy-12-labden-16-oic acid, Me ester C21H32O5 364.224974 NA MeJP NA NA +MJ046705 9,13-Epoxy-6-hydroxy-7-labden-15-oic acid, 6-Formyl C21H32O5 364.224974 NA MeJP NA NA +MJ046706 ACTG Toxin C C21H32O5 364.224974 NA MeJP NA NA +MJ046707 Brassicene C; 12?-Hydroxy C21H32O5 364.224974 NA MeJP NA NA +MJ046708 Citricolic acid C21H32O5 364.224974 NA MeJP NA NA +MJ046709 Florlide A; 11-Me ether C21H32O5 364.224974 NA MeJP NA NA +MJ046710 Galbonolide B C21H32O5 364.224974 NA MeJP NA NA +MJ046711 Galbonolide C C21H32O5 364.224974 NA MeJP NA NA +MJ046712 Mycinamycin VI; Aglycone C21H32O5 364.224974 NA MeJP NA NA +MJ046713 Neorustmicin C21H32O5 364.224974 NA MeJP NA NA +MJ046714 Penprostene C21H32O5 364.224974 NA MeJP NA NA +MJ046715 Pregnane-3,6,16,17,20-pentol, 6,16-Diketone C21H32O5 364.224974 NA MeJP NA NA +MJ046716 Tenacigenin A C21H32O5 364.224974 NA MeJP NA NA +MJ046717 Umbraculumin A C21H32O5 364.224974 NA MeJP NA NA +MJ046718 Umbraculumin B C21H32O5 364.224974 NA MeJP NA NA +MetaCyc03213 urocortisone [] C21H32O5 364.224974 NA metacyc NA NA +HMDB00903 Tetrahydrocortisone C21H32O5 364.224976 NA HMDB2010 NA NA +HMDB03259 Dihydrocortisol C21H32O5 364.224976 NA HMDB2010 NA NA +HMDB06753 3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al C21H32O5 364.224976 NA HMDB2010 NA NA +HMDB06754 11b,21-Dihydroxy-3,20-oxo-5b-pregnan-18-al C21H32O5 364.224976 NA HMDB2010 NA NA +HMDB06760 11b,17a,21-Trihydroxypreg-nenolone C21H32O5 364.224976 NA HMDB2010 NA NA +HMDB12460 11b,17a,21-Trihydroxy-5b-pregnane-3,20-dione C21H32O5 364.224976 NA HMDB2010 NA NA +HMDB13157 18-Hydroxy-11-dehydrotetrahydrocorticosterone C21H32O5 364.224976 NA HMDB2010 NA NA +HMDB00903 Tetrahydrocortisone C21H32O5 364.22498 http://www.hmdb.ca/metabolites/HMDB00903 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00903 Tetrahydrocortisone C21H32O5 364.22498 http://www.hmdb.ca/metabolites/HMDB00903 HMDB NA NA +HMDB03259 Dihydrocortisol C21H32O5 364.22498 http://www.hmdb.ca/metabolites/HMDB03259 HMDB NA NA +HMDB06753 3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al C21H32O5 364.22498 http://www.hmdb.ca/metabolites/HMDB06753 HMDB NA NA +HMDB06760 11beta,17alpha,21-Trihydroxypreg-nenolone C21H32O5 364.22498 http://www.hmdb.ca/metabolites/HMDB06760 HMDB NA NA +HMDB00903 Tetrahydrocortisone C21H32O5 364.22498 http://www.hmdb.ca/metabolites/HMDB00903 PFEM_hmdb_metabocards_blood NA blood +HMDB00903 Tetrahydrocortisone C21H32O5 364.22498 HMDB00903 PFEM_hmdb_metabocards_official NA NA +HMDB03259 Dihydrocortisol C21H32O5 364.22498 HMDB03259 PFEM_hmdb_metabocards_official NA NA +HMDB06753 3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al C21H32O5 364.22498 HMDB06753 PFEM_hmdb_metabocards_official NA NA +HMDB06760 11beta,17alpha,21-Trihydroxypreg-nenolone C21H32O5 364.22498 HMDB06760 PFEM_hmdb_metabocards_official NA NA +C05470 Tetrahydrocortisone C21H32O5 364.225 NA KEGG NA NA +C05471 11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione C21H32O5 364.225 NA KEGG NA NA +C05474 3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al C21H32O5 364.225 NA KEGG NA NA +C05489 11beta,17alpha,21-Trihydroxypregnenolone C21H32O5 364.225 NA KEGG NA NA +MJ046719 Furomine C20H32N2O4 364.236207 NA MeJP NA NA +MJ046720 Neovasipyridone; N-(3-Carbamoylpropyl) C20H32N2O4 364.236207 NA MeJP NA NA +C07619 Quinestrol C25H32O2 364.2402 NA KEGG NA NA +MJ046721 Ethinylestradiol; 3-Cyclopentyl ether C25H32O2 364.24023 NA MeJP NA NA +MJ046722 2,3-Dihydro-2,4,6,7-tetramethyl-2-[(4-phenyl-1-piperidinyl)methyl]-5-benzofuranamine C24H32N2O 364.251463 NA MeJP NA NA +MJ046723 1,3a,4,5,6,6a-Hexahydro-5-hydroxy-6-(4-hydroxy-4-methyl-1-octenyl)-2-pentalenepentanoic acid C22H36O4 364.261359 NA MeJP NA NA +MJ046724 1,6,10,14-Phytatetraene-3,5-diol, 13-Acetoxy C22H36O4 364.261359 NA MeJP NA NA +MJ046725 1,6,10,14-Phytatetraene-3,5-diol, 9-Acetoxy C22H36O4 364.261359 NA MeJP NA NA +MJ046726 1-(2,4,6-Trihydroxyphenyl)-1-hexadecanone C22H36O4 364.261359 NA MeJP NA NA +MJ046727 11,15-Dihydroxy-16,16-dimethyl-9-oxo-5,13-prostadienoic acid, 11-Deoxy C22H36O4 364.261359 NA MeJP NA NA +MJ046728 12,14-Labdadiene-6,7,8-triol, 7-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046729 12,14-Labdadiene-6,7,8-triol, 6-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046730 12,14-Labdadiene-6,7,8-triol, 7-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046731 12,14-Labdadiene-6,7,8-triol, 6-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046732 13(16),14-Labdadiene-3,6,8-triol, 6-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046733 13(16),14-Labdadiene-6,8,18-triol, 18-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046734 13(16),14-Labdadiene-6,8,18-triol, 6-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046735 15,19-Dihydroxy-13-labden-7-one, 19-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046736 15-Hydroxy-1(10)-halimen-18-oic acid, Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046737 15-Isopimarene-3,7,8-triol, 3-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046738 15-Isopimarene-6,8,11-triol, 6-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046739 15-Isopimarene-7,8,18-triol, 18-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046740 15-Isopimarene-8,11,12-triol, 11-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046741 15-Isopimarene-8,11,12-triol, 12-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046742 15-Pimarene-9,17,18-triol; 9?-form, 17-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046743 2,4-Dihydroxy-6-pentadecylbenzoic acid C22H36O4 364.261359 NA MeJP NA NA +MJ046744 2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone; 5-Me ether C22H36O4 364.261359 NA MeJP NA NA +MJ046745 2,6,10,14-Phytatetraene-1,12,19-triol, 1-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046746 2,6,10,14-Phytatetraene-1,12,19-triol, 12-Ketone, 10,11-dihydro, 19-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046747 2,6,10,14-Phytatetraene-1,17,18-triol, 18-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046748 2,6,10,14-Phytatetraene-1,18,19-triol, 19-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046749 2,6,10,14-Phytatetraene-1,19,20-triol, 19-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046750 2,6-Dolabelladiene-8,10,18-triol, 18-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046751 2,7-Dolabelladiene-5,10,18-triol, 5-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046752 2,7-Dolabelladiene-6,10,18-triol, 10-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046753 2,7-Dolabelladiene-6,10,18-triol, 18-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046754 2,9,13-Verrucosanetriol, 9-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046755 3(11),16-Sphenolobadiene-4,13,18-triol; 4-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046756 3,16,17-Atisanetriol, 3-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046757 3,16,17-Kauranetriol, 3-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046758 3,16,17-Phyllocladanetriol, 3-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046759 3,5-Dimethyl-5-(7,9,12-pentadecatrienyl)-1,2-dioxolane-3-acetic acid C22H36O4 364.261359 NA MeJP NA NA +MJ046760 3,7-Dolabelladiene-6,12-diol, 16-Hydroxy, 6-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046761 3,7-Dolabelladiene-9,12-diol, 7?,8?-Epoxide, 9-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046762 3-Clerodene-15,18-diol, 15-Carboxylic acid, Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046763 3-Hexadecyl-2,5-dihydroxy-1,4-benzoquinone C22H36O4 364.261359 NA MeJP NA NA +MJ046764 4(18)-Erythroxylene-11,15,16-triol, 11-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046765 4,8(19)-Xeniaphylladiene-14,15-diol; 4,5-Epoxide, 14-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046766 5-Halimene-15,18-diol, 15-Carboxylic acid, 18-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046767 5-Tridecyl-1,3-benzenediol; 2'R-Acetoxy, 3-Me ether C22H36O4 364.261359 NA MeJP NA NA +MJ046768 6,16,17-Kauranetriol, 17-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046769 6,16,17-Kauranetriol, 6-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046770 6,7:18,19-Diepoxy-1(9),13-xenicadiene-18,19-diol; Di-Me ether C22H36O4 364.261359 NA MeJP NA NA +MJ046771 7,13-Labdadiene-2,15,19-triol, 19-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046772 7,13-Labdadiene-2,3,15-triol, 15-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046773 7,16,17-Kauranetriol, 7-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046774 7,8-Epoxy-3,11-cembradiene-10,15-diol; 10-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046775 7-Labdene-15,17-diol, 17-Carboxylic acid, 15-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046776 7-Labdene-3,15-diol, 3,15-Diformyl C22H36O4 364.261359 NA MeJP NA NA +MJ046777 8(17),13-Labdadiene-7,15,19-triol, 19-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046778 8(17)-Labdene-15,18-diol, 15-Carboxylic acid, 18-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046779 8(17)-Labdene-15,19-diol, 19-Carboxylic acid, 15-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046780 8(17)-Labdene-2,15-diol, 15-Carboxylic acid, 2-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046781 8(17)-Labdene-3,15-diol, 15-Carboxylic acid, 3-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046782 8(17)-Labdene-6,15-diol, 15-Carboxylic acid, Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046783 8(17)-Labdene-7,15-diol, 15-Carboxylic acid, Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046784 8,10,13(15)-Lobatriene-14,17,18-triol, 14-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046785 8,11-Epoxy-1,3-cembradiene-7,12-diol, 7-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046786 8,12-Epoxy-13-labdene-15,16-diol, 16-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046787 8,13-Epoxy-14-labden-16-ol, 14?,15-Epoxide, 16-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046788 8,13-Epoxy-14-labdene-1,18-diol, 18-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046789 8,13-Epoxy-14-labdene-3,12-diol, 12-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046790 8,13-Epoxy-14-labdene-3,12-diol, 3-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046791 8,13-Epoxy-14-labdene-3,7-diol, 7-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046792 8,14-Labdadiene-6,7,13-triol, 6-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046793 Ciprostene C22H36O4 364.261359 NA MeJP NA NA +MJ046794 Crenulacetal A C22H36O4 364.261359 NA MeJP NA NA +MJ046795 Delactonmycin C22H36O4 364.261359 NA MeJP NA NA +MJ046796 Pachytriol; 20-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046797 Sarcotol; 10?-Alcohol, 11-aldehyde, 10-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046798 Sarcotol; 11-Ac C22H36O4 364.261359 NA MeJP NA NA +MJ046799 Solandelactone G; 11-Deoxy, ?11,12-isomer, 5,6,19,20-tetrahydro, 13-hydroxy C22H36O4 364.261359 NA MeJP NA NA +MJ046800 Solandelactone G; 11-Epimer, 5,6,19,20-tetrahydro C22H36O4 364.261359 NA MeJP NA NA +MJ046801 Solandelactone G; 5,6,19,20-Tetrahydro C22H36O4 364.261359 NA MeJP NA NA +MJ046802 Solenopodin A C22H36O4 364.261359 NA MeJP NA NA +MJ046803 Carbizocaine C21H36N2O3 364.272593 NA MeJP NA NA +MJ046804 3-(14-Phenyl-8-tetradecenyl)phenol C26H36O 364.276615 NA MeJP NA NA +MJ046805 1-(3,5-Dimethylphenyl)-3,5,7-pentadecanetriol C23H40O3 364.297745 NA MeJP NA NA +MJ046806 2,6,10,14-Phytatetraen-1-ol, O-(2,3-Dihydroxypropyl)(R-) C23H40O3 364.297745 NA MeJP NA NA +MJ046807 3-Methyl-5-pentyl-2-furantridecanoic acid C23H40O3 364.297745 NA MeJP NA NA +MJ046808 4-(10-Heptadecenyl)-4,6-dihydroxy-2-cyclohexen-1-one C23H40O3 364.297745 NA MeJP NA NA +MJ046809 4-Hydroxy-3-(16-methylheptadecyl)-2H-pyran-2-one C23H40O3 364.297745 NA MeJP NA NA +MJ046810 5-(8-Heptadecenyl)-4,5-dihydroxy-2-cyclohexen-1-one C23H40O3 364.297745 NA MeJP NA NA +MJ046811 5-Hexadecyl-2-furanacetic acid; Me ester C23H40O3 364.297745 NA MeJP NA NA +MJ046812 6-Pentadecyl-1,2,4-benzenetriol; 1,2-Di-Me ether C23H40O3 364.297745 NA MeJP NA NA +MJ046813 6-Pentadecyl-1,2,4-benzenetriol; 2,4-Di-Me ether C23H40O3 364.297745 NA MeJP NA NA +EUR402 25-hydroxy vitamin D F2 F2 364.314375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR402 25-hydroxy vitamin D F2 NA 364.314375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR402 25-hydroxy vitamin D F2 F2 364.314375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR402 25-hydroxy vitamin D F2 NA 364.314375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR402 25-hydroxy vitamin D F2 F2 364.314375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR402 25-hydroxy vitamin D F2 NA 364.314375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR402 25-hydroxy vitamin D F2 F2 364.314375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR402 25-hydroxy vitamin D F2 F2 364.314375 standards wishlist analysés sur QTOF HMDB NA NA +EUR402 25-hydroxy vitamin D F2 F2 364.314375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR402 25-hydroxy vitamin D F2 NA 364.314375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR402 25-hydroxy vitamin D F2 F2 364.314375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR402 25-hydroxy vitamin D F2 F2 364.314375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ046814 13,17-Tetracosadienoic acid C24H44O2 364.33413 NA MeJP NA NA +MJ046815 5,9-Tetracosadienoic acid C24H44O2 364.33413 NA MeJP NA NA +MJ046816 19-Pentacosenoic acid, Aldehyde C25H48O 364.370516 NA MeJP NA NA +MJ046817 3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-ol C25H48O 364.370516 NA MeJP NA NA +MJ046818 1-Hexacosene C26H52 364.406901 NA MeJP NA NA +3631 NA YPFGFT~ 364.6675 MH2+ Inhouse_peptide NA peptide +8119 peptide derived from giant squid muscle (Dosidicus gigas) NGLEGLK 364.69445 MH2+ Inhouse_peptide NA peptide +2630 synthetic fr,of human beta-CN (47-52) ACE inhibitor QPLIYP 364.6965 MH2+ Inhouse_peptide NA peptide +MJ046819 2,3,5-Tribromo-1H-indole; N-Me C9H6Br3N 364.805037 NA MeJP NA NA +MJ046820 2,3,6-Tribromo-1H-indole; N-Me C9H6Br3N 364.805037 NA MeJP NA NA +MJ046821 4,6-Dibromo-2,3-bis(methylthio)-1H-indole C10H9Br2NS2 364.854315 NA MeJP NA NA +MJ046822 Brocrinat C15H9BrFNO4 364.969898 NA MeJP NA NA +MJ046823 1-Amino-1-deoxyglucitol, N-Me; antimonate C7H18NO8Sb 365.007059 NA MeJP NA NA +MJ046824 Nifursol C12H7N5O9 365.024376 NA MeJP NA NA +MJ046825 N-[(7-Fluoro-9-oxo-9H-xanthen-2-yl)sulfonyl]-N-methylglycine C16H12FNO6S 365.036936 NA MeJP NA NA +MJ046826 N-(4-Bromophenyl)-2,2-diphenylacetamide C20H16BrNO 365.041526 NA MeJP NA NA +MJ046827 Luxabendazole C15H12FN3O5S 365.048169 NA MeJP NA NA +MJ046828 Indapamide C16H16ClN3O3S 365.060089 NA MeJP NA NA +MJ046829 Metolazone C16H16ClN3O3S 365.060089 NA MeJP NA NA +MJ046830 Zidapamide C16H16ClN3O3S 365.060089 NA MeJP NA NA +MJ046831 Itazigrel C18H14F3NO2S 365.069734 NA MeJP NA NA +MJ046832 Atpenin; Atpenin A5, 5'-Chloro C15H21Cl2NO5 365.079678 NA MeJP NA NA +MJ046833 Phenithionate C19H15N3O3S 365.083412 NA MeJP NA NA +C14862 2-S-Glutathionyl acetate C12H19N3O8S 365.0893 NA KEGG NA NA +PJ000569 CDE C12H19N3O8S 365.0893 NA PeJP NA NA +C06629 6-Methylpretetramide C20H15NO6 365.0899 NA KEGG NA NA +MJ046834 6-Methylpretetramide C20H15NO6 365.089937 NA MeJP NA NA +MJ046835 4,5-Dioxodehydrocrebanine C20H15NO6 365.089937 NA MeJP NA NA +MJ046836 Corydione C20H15NO6 365.089937 NA MeJP NA NA +MJ046837 Densiflorine C20H15NO6 365.089937 NA MeJP NA NA +MJ046838 Henderine C20H15NO6 365.089937 NA MeJP NA NA +MJ046839 Integriamide C20H15NO6 365.089937 NA MeJP NA NA +MJ046840 Kuafumine C20H15NO6 365.089937 NA MeJP NA NA +MJ046841 Laurodionine C20H15NO6 365.089937 NA MeJP NA NA +MJ046842 Oxobaicaline C20H15NO6 365.089937 NA MeJP NA NA +MJ046843 Oxophoebine C20H15NO6 365.089937 NA MeJP NA NA +MJ046844 Thalicminine C20H15NO6 365.089937 NA MeJP NA NA +MJ046845 11-Hydroxy-12-methoxycoptisine C20H16NO6(+) 365.089937 NA MeJP NA NA +CJpos0778 1-methyluric acid [(2M+H)]+ (13C) C1113CH13N8O6 365.090775 C18rt(min)=4.07 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0778 1-methyluric acid [(2M+H)]+ (13C) C1113CH13N8O6 365.090775 C18rt(min)=4.07 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJneg0562 1-methyluric acid [(2M-H)]- (13C) C1113CH11N8O6 365.091925 C18rt(min)=4.07 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0562 1-methyluric acid [(2M-H)]- (13C) C1113CH11N8O6 365.091925 C18rt(min)=4.07 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ046846 Clinafloxacin C17H17ClFN3O3 365.094247 NA MeJP NA NA +MJ046847 Griseolic acid; 4'?,5'-Dihydro, 7'-deoxy C14H15N5O7 365.097147 NA MeJP NA NA +C06827 Amoxicillin C16H19N3O5S 365.1045 NA KEGG NA NA +C06828 Transferred to D00230 C16H19N3O5S 365.1045 NA KEGG NA NA +C06829 Transferred to D00231 C16H19N3O5S 365.1045 NA KEGG NA NA +C08099 Cephalexin monohydrate C16H17N3O4S 365.1045 NA KEGG NA NA +C12979 Cefroxadine C16H19N3O5S 365.1045 NA KEGG NA NA +C12980 Transferred to D01529 C16H19N3O5S 365.1045 NA KEGG NA NA +MJ046848 Amoxicillin C16H19N3O5S 365.104541 NA MeJP NA NA +MJ046849 Cefroxadine C16H19N3O5S 365.104541 NA MeJP NA NA +MJ046850 Karnamicin B1 C16H19N3O5S 365.104541 NA MeJP NA NA +MJ046851 Ethyl 4-[2-(difluoromethoxy)phenyl]-1,4,5,7-tetrahydro-2-methyl-5-oxofuro[3,4-b]pyridine-3-carboxylate C18H17F2NO5 365.107479 NA MeJP NA NA +C13761 CGP 28-392 C18H17F2NO5 365.1075 NA KEGG NA NA +MJ046852 3-[(4-Aminophenyl)sulfonyl]-1,3-diphenyl-1-propanone C21H19NO3S 365.108564 NA MeJP NA NA +CJneg0563 Hydroxyphenyllactic acid [(2M-H)]- (13C) C1713CH19O8 365.119725 C18rt(min)=5.22 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0563 Hydroxyphenyllactic acid [(2M-H)]- (13C) C1713CH19O8 365.119725 C18rt(min)=5.22 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +PJ000570 SEM C13H23N3O7S 365.1257 NA PeJP NA NA +MJ046853 8-Hydroxydihydrochelerythrine C21H19NO5 365.126322 NA MeJP NA NA +MJ046854 Bocconoline; O9-De-Me C21H19NO5 365.126322 NA MeJP NA NA +MJ046855 Corynoloxine C21H19NO5 365.126322 NA MeJP NA NA +MJ046856 Didehydroocoteine C21H19NO5 365.126322 NA MeJP NA NA +MJ046857 Hediamine C21H19NO5 365.126322 NA MeJP NA NA +MJ046858 Isomurralonginol; O-(3-Pyridinecarbonyl) C21H19NO5 365.126322 NA MeJP NA NA +MJ046859 Thalicsine C21H19NO5 365.126322 NA MeJP NA NA +MJ046860 Thaliglucinone C21H19NO5 365.126322 NA MeJP NA NA +MJ046861 1-Methoxyberberine C21H20NO5(+) 365.126322 NA MeJP NA NA +HMDB02278 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol C14H23NO10 365.1322 http://www.hmdb.ca/metabolites/HMDB02278 HMDB NA NA +HMDB02282 2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol C14H23NO10 365.1322 http://www.hmdb.ca/metabolites/HMDB02282 HMDB NA NA +HMDB02278 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol C14H23NO10 365.1322 HMDB02278 PFEM_hmdb_metabocards_official NA NA +HMDB02282 2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol C14H23NO10 365.1322 HMDB02282 PFEM_hmdb_metabocards_official NA NA +HMDB02278 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol C14H23NO10 365.132202 NA HMDB2010 NA NA +HMDB02282 2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol C14H23NO10 365.132202 NA HMDB2010 NA NA +C17951 N-Acetylbialaphos C13H24N3O7P 365.1352 NA KEGG NA NA +MJ046862 Anisotine; 3-Hydroxy C20H19N3O4 365.137556 NA MeJP NA NA +MJ046863 Leucettamine A C20H19N3O4 365.137556 NA MeJP NA NA +PJ000571 PCF C17H23N3O4S 365.1409 NA PeJP NA NA +MJ046864 Picotrin C25H19NO2 365.141578 NA MeJP NA NA +PJ000572 CLM C14H27N3O4S2 365.1443 NA PeJP NA NA +7559 ACE inhibitor from buckwheat PSY 365.147 antioxidative Inhouse_peptide NA peptide +MJ046865 Adonifoline C18H23NO7 365.147452 NA MeJP NA NA +MJ046866 Erucifoline; N-Oxide C18H23NO7 365.147452 NA MeJP NA NA +MJ046867 Grantianine C18H23NO7 365.147452 NA MeJP NA NA +MJ046868 Seneciocannabine C18H23NO7 365.147452 NA MeJP NA NA +MJ046869 Periciazine C21H23N3OS 365.156183 NA MeJP NA NA +MJ046870 Cathestatin B C17H23N3O6 365.158685 NA MeJP NA NA +PJ000573 SPY C17H23N3O6 365.1587 NA PeJP NA NA +MJ046871 5,7-Dihydroxy-8-(2-piperidinyl)flavone; O5,N-Di-Me C22H23NO4 365.162708 NA MeJP NA NA +MJ046872 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, Dibenzoyl C22H23NO4 365.162708 NA MeJP NA NA +MJ046873 Isotylocrebrine, 3,6-Di-O-de-Me C22H23NO4 365.162708 NA MeJP NA NA +MJ046874 Nequinate C22H23NO4 365.162708 NA MeJP NA NA +MJ046875 Ochotensine, Me ether C22H23NO4 365.162708 NA MeJP NA NA +MJ046876 Tylophorinidine C22H23NO4 365.162708 NA MeJP NA NA +MJ046877 Tylophorinine, O-De-Me C22H23NO4 365.162708 NA MeJP NA NA +MJ046878 Dehydrocorydaline C22H24NO4(+) 365.162708 NA MeJP NA NA +MJ046879 Thaliglucinone; Deoxo, N-Me C22H24NO4(+) 365.162708 NA MeJP NA NA +MJ046880 Ethyl(3-methoxybenzyl)dimethylammonium(1+); 4-Methylbenzenesulfonyl C19H27NO4S 365.166079 NA MeJP NA NA +MJ046881 Revatropate C19H27NO4S 365.166079 NA MeJP NA NA +MJ046882 Timegadine C20H23N5S 365.167416 NA MeJP NA NA +C07174 Trimethaphan C22H25N2OS 365.1688 NA KEGG NA NA +MJ046883 1'-Methylzeatin, 9-?-D-Ribofuranosyl C16H23N5O5 365.169918 NA MeJP NA NA +MJ046884 Antibiotic KF 77AG6 C16H23N5O5 365.169918 NA MeJP NA NA +MetaCyc03214 isopentenyladenine-9-N-glucoside [] C16H23N5O5 365.169919 NA metacyc NA NA +MetaCyc03215 isopentenyladenine-7-N-glucoside [] C16H23N5O5 365.169919 NA metacyc NA NA +MJ046885 Phosalacine C14H28N3O6P 365.171572 NA MeJP NA NA +MJ046886 Austamide; 12S,13-Dihydro C21H23N3O3 365.173941 NA MeJP NA NA +MJ046887 Brevianamide A C21H23N3O3 365.173941 NA MeJP NA NA +MJ046888 Brevianamide C C21H23N3O3 365.173941 NA MeJP NA NA +C17582 2'-N-Acetylparomamine C14H27N3O8 365.1798 NA KEGG NA NA +C10396 Senkirkine C19H27NO6 365.1838 NA KEGG NA NA +MJ046889 Crotaverrine C19H27NO6 365.183837 NA MeJP NA NA +MJ046890 Emiline C19H27NO6 365.183837 NA MeJP NA NA +MJ046891 Harzianic acid C19H27NO6 365.183837 NA MeJP NA NA +MJ046892 Schizanthine G C19H27NO6 365.183837 NA MeJP NA NA +MJ046893 Senkirkine C19H27NO6 365.183837 NA MeJP NA NA +3558 ACE inhibitor LAY 365.184 ACE inhibitor Inhouse_peptide NA peptide +MJ046894 Trazolopride C20H23N5O2 365.185175 NA MeJP NA NA +8027 synthetic peptide PHI 365.194 antibacterial Inhouse_peptide NA peptide +8029 synthetic peptide PHL 365.194 antibacterial Inhouse_peptide NA peptide +PJ000574 ALY C18H27N3O5 365.1951 NA PeJP NA NA +MJ046895 1-[12-(3,4-Methylenedioxyphenyl)-2,4,9,11-dodecatetraenoyl]pyrrolidine C23H27NO3 365.199093 NA MeJP NA NA +MJ046896 Aegle marmelos Alkaloid C C23H27NO3 365.199093 NA MeJP NA NA +MJ046897 Etabenzarone C23H27NO3 365.199093 NA MeJP NA NA +MJ046898 Euchrestine C; 2',3'-Epoxide C23H27NO3 365.199093 NA MeJP NA NA +MJ046899 Hispidine C23H27NO3 365.199093 NA MeJP NA NA +MJ046900 Leporin A C23H27NO3 365.199093 NA MeJP NA NA +PJ000575 PLH C17H27N5O4 365.2063 NA PeJP NA NA +MJ046901 Caroverine C22H27N3O2 365.210327 NA MeJP NA NA +MJ046902 Omidoline C22H27N3O2 365.210327 NA MeJP NA NA +MJ046903 Kalihinol Y C21H32ClNO2 365.212156 NA MeJP NA NA +MJ046904 Kalihipyran A; 15,16-Dihydro, 15-chloro C21H32ClNO2 365.212156 NA MeJP NA NA +MJ046905 Brefeldin A; 7-(N,N-Dimethylaminoacetyl) C20H31NO5 365.220223 NA MeJP NA NA +MJ046906 Lycofawcine; O8-Ac C20H31NO5 365.220223 NA MeJP NA NA +MJ046907 Antibiotic Ro 09-1547; 4-Me ether, 3-O-(dimethylaminoacetyl) C21H35NO4 365.256608 NA MeJP NA NA +MJ046908 2-Pentadecyl-4(1H)-quinolinone; 6',7',9',10'-Tetradehydro, N-Me (Z,Z-) C25H35NO 365.271864 NA MeJP NA NA +MJ046909 Spirofornabuxine C25H35NO 365.271864 NA MeJP NA NA +MJ046910 Conioidine A C22H39NO3 365.292994 NA MeJP NA NA +MJ046911 12-Oxooctadecanoic acid; Piperidide C23H43NO2 365.329379 NA MeJP NA NA +MJ046912 Trichonine, Tetrahydro C24H47NO 365.365765 NA MeJP NA NA +MJ046913 4-Bromo-3-(1-hydroxybutyl)-5-(iodomethylene)-2(5H)-furanone, 1'-Deiodo, 1'-bromo, Ac C11H12Br2O4 365.910234 NA MeJP NA NA +MJ046914 Salvarsan C12H12As2N2O2 365.93307 NA MeJP NA NA +MJ046915 2,2',6,6'-Tetrachloro-3,3'-dihydroxy-5,5'-dimethyldiphenyl ether C14H10Cl4O3 365.938405 NA MeJP NA NA +FL3FACNSS001 Luteolin 7-sulfate C15H10O9S 366.00455 56857-57-9 knapsack NA NA +FL3FACNSS002 Luteolin 3'-sulfate C15H10O9S 366.00455 59176-61-3 knapsack NA NA +FL3FACNSS003 Luteolin 4'-sulfate C15H10O9S 366.00455 60889-07-8 knapsack NA NA +FL5FAANSS001 Kaempferol 3-O-sulfate C15H10O9S 366.00455 62369-24-8 knapsack NA NA +FL5FAANSS002 Kaempferol 7-O-sulfate C15H10O9S 366.00455 56857-59-1 knapsack NA NA +FL5FAANSS005 Kaempferol 8-C-sulfate;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-sulfonic acid C15H10O9S 366.00455 760157-61-7 knapsack NA NA +MJ046916 3',4',5,7-Tetrahydroxyflavone; 3'-O-Sulfate C15H10O9S 366.004552 NA MeJP NA NA +MJ046917 3',4',5,7-Tetrahydroxyflavone; 4'-O-Sulfate C15H10O9S 366.004552 NA MeJP NA NA +MJ046918 3',4',5,7-Tetrahydroxyflavone; 7-O-Sulfate C15H10O9S 366.004552 NA MeJP NA NA +MJ046919 3,4',5,7-Tetrahydroxyflavone-8-sulfonic acid C15H10O9S 366.004552 NA MeJP NA NA +MJ046920 3,4',5,7-Tetrahydroxyflavone; 3-O-Sulfate C15H10O9S 366.004552 NA MeJP NA NA +MJ046921 3,4',5,7-Tetrahydroxyflavone; 7-O-Sulfate C15H10O9S 366.004552 NA MeJP NA NA +MJ046922 3-Bromo-4-hydroxy-?-(hydroxyimino)-N-[2-(1H-imidazol-4-yl)ethyl]benzenepropanamide C14H15BrN4O3 366.032753 NA MeJP NA NA +MJ046923 Cassiapyrone; 10-O-Sulfate C16H14O8S 366.040938 NA MeJP NA NA +MJ046924 2,10-Dichloro-12-methyl-12H-dibenzo[d,g][1,3]dioxocin-6-carboxylic acid; trans-form, Et ester C18H16Cl2O4 366.042564 NA MeJP NA NA +JH056 Coumaric acid (p-) [2M+K]+ NA 366.05058 13.89 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH056 Coumaric acid (p-) [2M+K]+ NA 366.05058 13.89 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH056 Coumaric acid (p-) [2M+K]+ NA 366.05058 13.89 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH056 Coumaric acid (p-) [2M+K]+ NA 366.05058 13.89 Inhousejuil11 NA NA +HMDB03201 Malvidin C17H15ClO7 366.050629 NA HMDB2010 NA NA +MJ046925 2',4,6,6'-Tetrahydroxy-4'-methylbenzophenone-2-carboxylic acid; 3'-Chloro, 6-Me ether, Me ester C17H15ClO7 366.05063 NA MeJP NA NA +MJ046926 Parconazole C17H16Cl2N2O3 366.053797 NA MeJP NA NA +HMDB01439 Phosphoribosyl formamidocarboxamide C10H15N4O9P 366.05765 http://www.hmdb.ca/metabolites/HMDB01439 HMDB NA NA +HMDB01439 Phosphoribosyl formamidocarboxamide C10H15N4O9P 366.05765 HMDB01439 PFEM_hmdb_metabocards_official NA NA +MJ046927 1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide C10H15N4O9P 366.057664 NA MeJP NA NA +MetaCyc03216 phosphoribosyl-formamido-carboxamide [5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;5'-p-Ribosyl-5-formamido-4-imidazolecarboxamide;5'-phosphoribosyl-5-formamido-4-imidazole carboxamide;5'-p-Ribosyl-5-formamido-4-imidazole carboxamide;5-Phosphoribosyl-5-formamido-4-imid-carboxamide;5-formamido-1-(5-phosphoribosyl)-imidazole-4-carboxamide;FAICAR;] C10H15N4O9P1 366.057665 NA metacyc NA NA +HMDB01439 Phosphoribosyl formamidocarboxamide C10H15N4O9P 366.057678 NA HMDB2010 NA NA +C04734 1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide C10H15N4O9P 366.0577 NA KEGG NA NA +C04735 Apo-[acetyl-CoA:carbon-dioxide ligase (ADP-forming)] C7H13N3O2R2 366.0577 NA KEGG NA NA +C04736 Apo-[methylmalonyl-CoA:pyruvate carboxytransferase] C7H13N3O2R2 366.0577 NA KEGG NA NA +C04737 Trihexosylceramide C37H66NO18R 366.0577 NA KEGG NA NA +MJ046928 Majapol A C15H24BrClO3 366.059734 NA MeJP NA NA +MJ046929 Majapol B C15H24BrClO3 366.059734 NA MeJP NA NA +MJ046930 Majapol C C15H24BrClO3 366.059734 NA MeJP NA NA +MJ046931 Thiphencillin C16H18N2O4S2 366.070798 NA MeJP NA NA +MJ046932 Salicin 6-phosphate C13H19O10P 366.071583 NA MeJP NA NA +MetaCyc03217 salicin-6-phosphate [salicin-6-p;[3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]-tetrahydropyran-2-yl]methoxyphosphonic acid;] C13H19O10P1 366.071583 NA metacyc NA NA +C06188 Salicin 6-phosphate C13H19O10P 366.0716 NA KEGG NA NA +FL5F1GNF0001 3'-Methoxypongapin C20H14O7 366.07395 60077-58-9 knapsack NA NA +FLIF3LNF0001 Pachyrrhizone C20H14O7 366.07395 42485-00-7 knapsack NA NA +FLIFHXNF0002 12a-Methoxydolineone C20H14O7 366.07395 54534-96-2 knapsack NA NA +FLIH3LNF0001 Neofolin C20H14O7 366.07395 10338-02-0 knapsack NA NA +MJ046933 12a-Hydroxydolineone, Me ether C20H14O7 366.073952 NA MeJP NA NA +MJ046934 2-(1,3-Benzodioxol-5-yl)-5,6-dimethoxy-4H-furo[2,3-h]-1-benzopyran-4-one C20H14O7 366.073952 NA MeJP NA NA +MJ046935 3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4'-Methylene, 5-Me ether C20H14O7 366.073952 NA MeJP NA NA +MJ046936 3,3',4,4',7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4'-Methylene, 7-Me ether C20H14O7 366.073952 NA MeJP NA NA +MJ046937 8,10-Dihydroxy-5-[(6-hydroxy-4-oxo-4H-pyran-2-yl)methyl]-2-methyl-4H-naphtho[1,2-b]pyran-4-one C20H14O7 366.073952 NA MeJP NA NA +MJ046938 Alterlosin I C20H14O7 366.073952 NA MeJP NA NA +MJ046939 Antibiotic Sch 49211 C20H14O7 366.073952 NA MeJP NA NA +MJ046940 Arnottin II C20H14O7 366.073952 NA MeJP NA NA +MJ046941 Dehydroaverufin C20H14O7 366.073952 NA MeJP NA NA +MJ046942 Edgeworthin; Di-Me ether C20H14O7 366.073952 NA MeJP NA NA +MJ046943 Jusneesiinol C20H14O7 366.073952 NA MeJP NA NA +MJ046944 Oreojasmin C20H14O7 366.073952 NA MeJP NA NA +MJ046945 Pachyrrhizin; 9-Methoxy C20H14O7 366.073952 NA MeJP NA NA +MJ046946 Pachyrrhizone C20H14O7 366.073952 NA MeJP NA NA +MJ046947 Palmarumycin C15; 3-Ketone C20H14O7 366.073952 NA MeJP NA NA +MJ046948 Palmarumycin C15; 4,5-Dihydro, 3,7-diketone C20H14O7 366.073952 NA MeJP NA NA +MJ046949 Pongapin; 5'-Methoxy C20H14O7 366.073952 NA MeJP NA NA +MJ046950 Preussomerin A C20H14O7 366.073952 NA MeJP NA NA +MJ046951 Stemphyltoxin I C20H14O7 366.073952 NA MeJP NA NA +MJ046952 Tetracenomycin D3; 5-Deoxo C20H14O7 366.073952 NA MeJP NA NA +C10512 Pachyrrhizone C20H14O7 366.074 NA KEGG NA NA +C12258 Arnottin II C20H14O7 366.074 NA KEGG NA NA +C12367 Tetracenomycin F1 C20H14O7 366.074 NA KEGG NA NA +C12438 2-Decarboxytetrangomycin C20H14O7 366.074 NA KEGG NA NA +C12439 Phenanthroviridone aglycon C20H12NO6R 366.074 NA KEGG NA NA +MJ046953 Bactobolin C C14H20Cl2N2O5 366.074927 NA MeJP NA NA +MJ046954 Bis(2-hydroxy-3-phenylpropyl) trisulfide C18H22O2S3 366.078192 NA MeJP NA NA +MJ046955 Pirinixil C16H19ClN4O2S 366.091724 NA MeJP NA NA +MJ046956 3,5-Dihydroxy-2-methyl-1,4-naphthoquinone; 5-O-?-D-Glucopyranoside C17H18O9 366.095082 NA MeJP NA NA +MJ046957 3-(4-Hydroxy-5-benzofuranyl)-2-propenoic acid, O-?-D-Glucopyranoside C17H18O9 366.095082 NA MeJP NA NA +MJ046958 3-(6-Hydroxy-5-benzofuranyl)-2-propenoic acid, O-?-D-Glucopyranoside C17H18O9 366.095082 NA MeJP NA NA +MJ046959 Atovaquone C22H19ClO3 366.102272 NA MeJP NA NA +C06835 Atovaquone C22H19ClO3 366.1023 NA KEGG NA NA +C06836 Transferred to D00237 C22H19ClO3 366.1023 NA KEGG NA NA +PJ000576 CNM C12H22N4O5S2 366.1032 NA PeJP NA NA +MJ046960 5-[[4-[2-(1H-Indol-1-yl)ethoxy]phenyl]methyl]-2,4-thiazolidinedione C20H18N2O3S 366.103813 NA MeJP NA NA +MJ046961 Speranskilatine A C16H18N2O8 366.106315 NA MeJP NA NA +C16968 Glycyrol C21H18O6 366.1103 NA KEGG NA NA +FL3FACNP0001 Desmodol C21H18O6 366.11033 68349-71-3 knapsack NA NA +FL3FADNP0001 Racemoflavone C21H18O6 366.11033 106055-12-3 knapsack NA NA +FL3FADNP0003 5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one C21H18O6 366.11033 461677-63-4 knapsack NA NA +FL5FDANF0001 Vellokaempferol 3-methyl ether C21H18O6 366.11033 - knapsack NA NA +FLIAACNI0001 Derrubone;5,7-Dihydroxy-3',4'-methylenedioxy-6-prenylisoflavone C21H18O6 366.11033 22044-58-2 knapsack NA NA +FLIAAENP0001 3'-Hydroxyalpinumisoflavone 4'-methyl ether C21H18O6 366.11033 84395-23-3 knapsack NA NA +FLIAALNP0013 Barpisoflavone C C21H18O6 366.11033 104703-89-1 knapsack NA NA +FLIDACNP0001 Neorautenanol C21H18O6 366.11033 76175-39-8 knapsack NA NA +FLIE1CNI0001 Mirificoumestan;3,9-Dihydroxy-8-methoxy-7-prenylcoumestan C21H18O6 366.11033 114865-41-7 knapsack NA NA +FLIE3ANI0001 Puerarostan;3,9-Dihydroxy-4-methoxy-8-prenylcoumestan C21H18O6 366.11033 116107-16-5 knapsack NA NA +FLIEBANI0001 3,9-Dihydroxy-1-methoxy-8-prenylcoumestan C21H18O6 366.11033 128351-78-0 knapsack NA NA +FLIECANI0001 Glycyrol;Neoglycyrol;1,9-Dihydroxy-3-methoxy-2-prenylcoumestan C21H18O6 366.11033 23013-84-5 knapsack NA NA +FLIECANP0001 Isoglycyrol C21H18O6 366.11033 23013-86-7 knapsack NA NA +MJ046962 1,3,9-Trihydroxy-8-prenylcoumestan; 1-Me ether C21H18O6 366.110338 NA MeJP NA NA +MJ046963 3',4',5,7-Tetrahydroxy-6-prenylisoflavone; 3',4'-Methylene ether C21H18O6 366.110338 NA MeJP NA NA +MJ046964 3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4',5-Tri-Me ether C21H18O6 366.110338 NA MeJP NA NA +MJ046965 3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 7,7'-Dihydro, 4,5-methylene, 3',4'-di-Me ether C21H18O6 366.110338 NA MeJP NA NA +MJ046966 3,3',4,4'-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3,3',4'-Tri-Me ether C21H18O6 366.110338 NA MeJP NA NA +MJ046967 3,4,9-Trihydroxy-8-prenylcoumestan; 4-Me ether C21H18O6 366.110338 NA MeJP NA NA +MJ046968 3,8,9-Trihydroxy-7-prenylcoumestan; 8-Me ether C21H18O6 366.110338 NA MeJP NA NA +MJ046969 ?-Apopolygamatin C21H18O6 366.110338 NA MeJP NA NA +MJ046970 ?-Isoderrubone C21H18O6 366.110338 NA MeJP NA NA +MJ046971 Alpinumisoflavone; 3'-Hydroxy, 4'-Me ether C21H18O6 366.110338 NA MeJP NA NA +MJ046972 Anisolactone C21H18O6 366.110338 NA MeJP NA NA +MJ046973 Atalantoflavone; 3'-Methoxy C21H18O6 366.110338 NA MeJP NA NA +MJ046974 Collinusin C21H18O6 366.110338 NA MeJP NA NA +MJ046975 Desmodol C21H18O6 366.110338 NA MeJP NA NA +MJ046976 Gancaonin F; 3,4-Dihydro C21H18O6 366.110338 NA MeJP NA NA +MJ046977 Glyasperin L C21H18O6 366.110338 NA MeJP NA NA +MJ046978 Indicolactone C21H18O6 366.110338 NA MeJP NA NA +MJ046979 Leprapic acid, Me ether C21H18O6 366.110338 NA MeJP NA NA +MJ046980 Neorautane; 1,2-Didehydro, 14-hydroxy C21H18O6 366.110338 NA MeJP NA NA +MJ046981 Parvisoflavone B; 5-Me ether C21H18O6 366.110338 NA MeJP NA NA +MJ046982 Pipoxide C21H18O6 366.110338 NA MeJP NA NA +MJ046983 Piscisoflavone C; 6'-Hydroxy C21H18O6 366.110338 NA MeJP NA NA +MJ046984 Piscisoflavone D C21H18O6 366.110338 NA MeJP NA NA +MJ046985 Polysyphoside B C21H18O6 366.110338 NA MeJP NA NA +MJ046986 Polysyphoside C C21H18O6 366.110338 NA MeJP NA NA +MJ046987 Psoralidin; 1-Methoxy C21H18O6 366.110338 NA MeJP NA NA +MJ046988 Racemosone C21H18O6 366.110338 NA MeJP NA NA +MJ046989 Robustic acid; 4'-O-De-Me C21H18O6 366.110338 NA MeJP NA NA +MJ046990 Semilicoisoflavone B; 5-Me ether C21H18O6 366.110338 NA MeJP NA NA +MJ046991 Vellokaempferol; 3-Me ether C21H18O6 366.110338 NA MeJP NA NA +MJ046992 Vitrofolal C C21H18O6 366.110338 NA MeJP NA NA +MJ046993 ?-Isoderrubone C21H18O6 366.110338 NA MeJP NA NA +MJ046994 Holmioside C14H22O11 366.116211 NA MeJP NA NA +MJ046995 Ridogrel C18H17F3N2O3 366.119127 NA MeJP NA NA +PJ000577 GSTC C12H22N4O7S 366.1209 NA PeJP NA NA +MJ046996 Tryptophan, Na-(3,4-Dihydroxycinnamoyl) C20H18N2O5 366.121571 NA MeJP NA NA +CJneg0564 Hydroxyphenyllactic acid [(2M-H)]- (13C2) C1613C2H19O8 366.123125 C18rt(min)=5.22 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0564 Hydroxyphenyllactic acid [(2M-H)]- (13C2) C1613C2H19O8 366.123125 C18rt(min)=5.22 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ046997 7-Hydroxy-8-(3-oxo-2-methylbutyl)-2H-1-benzopyran-2-one; O-(3-Chloro-2-hydroxy-3-methylbutyl) C19H23ClO5 366.123401 NA MeJP NA NA +MJ046998 Enkastine; Enkastine 5 C13H22N2O10 366.127444 NA MeJP NA NA +MJ046999 Trehalamine; N2-?-D-Glucopyranoside C13H22N2O10 366.127444 NA MeJP NA NA +MJ047000 3-Butylidene-1(3H)-isobenzofuranone, 7-Hydroxy, 7-O-?-D-glucopyranoside C18H22O8 366.131467 NA MeJP NA NA +MJ047001 Rhamnose; ?-L-Pyranose-form, 3-O-(4-Methoxycinnamoyl)(E-), 2-Ac C18H22O8 366.131467 NA MeJP NA NA +MJ047002 Rhamnose; ?-L-Pyranose-form, 3-O-(4-Methoxycinnamoyl)(Z-), 2-Ac C18H22O8 366.131467 NA MeJP NA NA +C15390 1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione C19H26O3S2 366.1323 NA KEGG NA NA +MJ047003 1,5-Epidithio-17a-oxa-D-homoandrostane-3,17-dione C19H26O3S2 366.132336 NA MeJP NA NA +MJ047004 Acetiamine C16H22N4O4S 366.136175 NA MeJP NA NA +MJ047005 Trifluomeprazine C19H21F3N2S 366.137753 NA MeJP NA NA +PJ000578 SSSS C12H22N4O9 366.1387 NA PeJP NA NA +MJ047006 2-(4-Hydroxybenzyl)imidazole; 3'-Methoxy, O-?-D-galactopyranoside C17H22N2O7 366.142701 NA MeJP NA NA +MJ047007 Tetrahydropentoxyline C17H22N2O7 366.142701 NA MeJP NA NA +FL1C1ANI0019 Xanthoangelol C C22H22O5 366.14672 132998-82-4 knapsack NA NA +FL1C1CNP0003 3,4-Dimethoxylonchocarpin;6'',6''-Dimethylpyrano[2'',3'':4',3']-2'-hydroxy-3,4-dimethoxychalcone C22H22O5 366.14672 179003-85-1 knapsack NA NA +FL1CBBNP0001 Glychalcone A;6'',6''-Dimethylpyrano[2'',3'':4',3']-2'-hydroxy-4,6'-dimethoxychalcone C22H22O5 366.14672 143885-75-0 knapsack NA NA +FL1CCBNP0001 6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone C22H22O5 366.14672 143885-77-2 knapsack NA NA +FL1CHYNP0006 Praecansone B C22H22O5 366.14672 74517-75-2 knapsack NA NA +FL2F1CNI0003 O-Methylovaliflavanone C C22H22O5 366.14672 115219-94-8 knapsack NA NA +FL2F1CNP0003 Ponganone III;(2S)-3',4'-Dimethoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone C22H22O5 366.14672 142608-89-7 knapsack NA NA +FL2FBBNP0001 Glyflavanone A;(2S)-5,4'-Dimethoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone C22H22O5 366.14672 167568-52-7 knapsack NA NA +FL3FA9NI0002 cis-Tephrostachin C22H22O5 366.14672 50299-52-0 knapsack NA NA +FL3FA9NI0003 trans-Tephrostachin C22H22O5 366.14672 80377-43-1 knapsack NA NA +FLIA1CNI0003 7-Prenyloxy-3',4'-dimethoxyisoflavone C22H22O5 366.14672 82345-39-9 knapsack NA NA +FLIDBBNP0001 Edulenane;Edulaan C22H22O5 366.14672 53734-77-3 knapsack NA NA +MJ047008 2,6-Bis(4-hydroxy-3-methoxybenzylidene)cyclohexanone C22H22O5 366.146723 NA MeJP NA NA +MJ047009 3',4',7-Trihydroxy-8-prenylflavanone, 3',4'-Methylene, 7-Me ether C22H22O5 366.146723 NA MeJP NA NA +MJ047010 3',4',7-Trihydroxyisoflavone; 3',4'-Di-Me ether, 7-O-(3-methyl-2-butenyl) C22H22O5 366.146723 NA MeJP NA NA +MJ047011 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-Benzoyl C22H22O5 366.146723 NA MeJP NA NA +MJ047012 Allomicrophyllone C22H22O5 366.146723 NA MeJP NA NA +MJ047013 Citflavanone, Di-Me ether C22H22O5 366.146723 NA MeJP NA NA +MJ047014 Citrunobin; 4-Me ether C22H22O5 366.146723 NA MeJP NA NA +MJ047015 Curcumin III; 3'-Methoxy C22H22O5 366.146723 NA MeJP NA NA +MJ047016 Glychalcone A C22H22O5 366.146723 NA MeJP NA NA +MJ047017 Isobavachromene; 3''-Methoxy, 4''-Me ether C22H22O5 366.146723 NA MeJP NA NA +MJ047018 Isolonchocarpin, 3',4'-Dimethoxy C22H22O5 366.146723 NA MeJP NA NA +MJ047019 Microphyllone; ?7',8'-Isomer, 9'-hydroxy C22H22O5 366.146723 NA MeJP NA NA +MJ047020 Neorautenol; 13-Methoxy, Me ether C22H22O5 366.146723 NA MeJP NA NA +MJ047021 Plectranthone A; 2',3'-Dihydro, 2'?-acetoxy C22H22O5 366.146723 NA MeJP NA NA +MJ047022 Ponganone I C22H22O5 366.146723 NA MeJP NA NA +MJ047023 Purpurenone; 7-Methoxy C22H22O5 366.146723 NA MeJP NA NA +MJ047024 Tephrostachin C22H22O5 366.146723 NA MeJP NA NA +MJ047025 Xanthoangelol C C22H22O5 366.146723 NA MeJP NA NA +MJ047026 Lavanducyanin; 2-Chloro C22H23ClN2O 366.149891 NA MeJP NA NA +MJ047027 1,2,3,4,6,8,9,13,14-Nonahydroxydihydro-?-agarofuran C15H26O10 366.152597 NA MeJP NA NA +MJ047028 Harpagide; 3,4-Dihydro C15H26O10 366.152597 NA MeJP NA NA +8031 synthetic peptide PHN 366.1529 antibacterial Inhouse_peptide NA peptide +PJ000579 GQY C16H22N4O6 366.1539 NA PeJP NA NA +PJ000580 GGAY C16H22N4O6 366.154 NA PeJP NA NA +MJ047029 15-Bromo-9(11)-pargueren-16-ol C20H31BrO 366.155828 NA MeJP NA NA +MJ047030 Sphaeroxetane C20H31BrO 366.155828 NA MeJP NA NA +MJ047031 Apodine C21H22N2O4 366.157957 NA MeJP NA NA +MJ047032 Buxomeline C21H22N2O4 366.157957 NA MeJP NA NA +MJ047033 Corynantheidinalinic acid C21H22N2O4 366.157957 NA MeJP NA NA +MJ047034 Dasyrachine C21H22N2O4 366.157957 NA MeJP NA NA +MJ047035 Ervatamine; 19,20-Didehydro, 5-oxo C21H22N2O4 366.157957 NA MeJP NA NA +MJ047036 Gardfloramine; 18-Demethoxy, (19E)-isomer C21H22N2O4 366.157957 NA MeJP NA NA +MJ047037 Gelsemine; 21-Oxo, N-methoxy C21H22N2O4 366.157957 NA MeJP NA NA +MJ047038 Henningsamide C21H22N2O4 366.157957 NA MeJP NA NA +MJ047039 Kopsinine; 3-Oxo, 14,15-didehydro, Nb-oxide C21H22N2O4 366.157957 NA MeJP NA NA +MJ047040 Lochnericine; 14,15-Diepimer, 3-oxo C21H22N2O4 366.157957 NA MeJP NA NA +MJ047041 Minovincine, 3-Oxo C21H22N2O4 366.157957 NA MeJP NA NA +MJ047042 N-(6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl)-N-(phenylmethoxy)acetamide C21H22N2O4 366.157957 NA MeJP NA NA +MJ047043 Nareline; Me ether C21H22N2O4 366.157957 NA MeJP NA NA +MJ047044 Perimivine C21H22N2O4 366.157957 NA MeJP NA NA +MJ047045 Perivine; N4-Formyl C21H22N2O4 366.157957 NA MeJP NA NA +MJ047046 Peronatin B; 7-Hydroxy, 7'-methoxy C21H22N2O4 366.157957 NA MeJP NA NA +MJ047047 Picralinal C21H22N2O4 366.157957 NA MeJP NA NA +MJ047048 Pseudostrychnine; 12-Hydroxy C21H22N2O4 366.157957 NA MeJP NA NA +MJ047049 Rhazinaline; Nb-Oxide C21H22N2O4 366.157957 NA MeJP NA NA +MJ047050 Scandine; 10-Hydroxy C21H22N2O4 366.157957 NA MeJP NA NA +MJ047051 Scandine; 14,15-Epoxide C21H22N2O4 366.157957 NA MeJP NA NA +MJ047052 Scandine; Nb-Oxide C21H22N2O4 366.157957 NA MeJP NA NA +MJ047053 Strychnine; 12-Hydroxy, Nb-oxide C21H22N2O4 366.157957 NA MeJP NA NA +MJ047054 Suaveolenine C21H22N2O4 366.157957 NA MeJP NA NA +MJ047055 Tabersonine, 3-Oxo, 14?,15?-epoxide C21H22N2O4 366.157957 NA MeJP NA NA +MJ047056 Talbotine; 3,4-Didehydro C21H22N2O4 366.157957 NA MeJP NA NA +MJ047057 Venalstonine; 6?,7?-Epoxide, 3-oxo C21H22N2O4 366.157957 NA MeJP NA NA +C09034 Apodine C21H22N2O4 366.158 NA KEGG NA NA +MJ047058 Glibornuride C18H26N2O4S 366.161328 NA MeJP NA NA +MJ047059 6,7-Diphenyl-2,4,8,10-dodecatetrayne, 2',2''-Dimethoxy C26H22O2 366.161979 NA MeJP NA NA +PJ000581 PNH C15H22N6O5 366.1652 NA PeJP NA NA +MJ047060 1,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O7 366.167853 NA MeJP NA NA +MJ047061 1,10-Epoxy-3,9-dihydroxy-4-germacren-12,6-olide, Di-Ac C19H26O7 366.167853 NA MeJP NA NA +MJ047062 1,3,8,10-Tetrahydroxy-4,11(13)-germacradien-12,6-olide, 3-Ketone, 8-(2-methylpropanoyl) C19H26O7 366.167853 NA MeJP NA NA +MJ047063 1,3,8-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Hydroperoxide, 8-(2-methylpropanoyl) C19H26O7 366.167853 NA MeJP NA NA +MJ047064 1,4,14-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4,14-Di-Ac C19H26O7 366.167853 NA MeJP NA NA +MJ047065 1,4,15-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4,15-Di-Ac C19H26O7 366.167853 NA MeJP NA NA +MJ047066 1,4,6-Trihydroxy-11(13)-eudesmen-12,8-olide, 1,6-Di-Ac C19H26O7 366.167853 NA MeJP NA NA +MJ047067 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(2,3-Dihydroxy-2-methylpropanoyl) C19H26O7 366.167853 NA MeJP NA NA +MJ047068 2,3,4-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2,3-Di-Ac C19H26O7 366.167853 NA MeJP NA NA +MJ047069 2,3,4-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2,4-Di-Ac C19H26O7 366.167853 NA MeJP NA NA +MJ047070 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2,4-Di-Ac C19H26O7 366.167853 NA MeJP NA NA +MJ047071 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2,6-Di-Ac C19H26O7 366.167853 NA MeJP NA NA +MJ047072 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2,4-Di-Ac C19H26O7 366.167853 NA MeJP NA NA +MJ047073 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2,6-Di-Ac C19H26O7 366.167853 NA MeJP NA NA +MJ047074 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2,4-Di-Ac C19H26O7 366.167853 NA MeJP NA NA +MJ047075 3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O7 366.167853 NA MeJP NA NA +MJ047076 3,4,15-Scirpenetriol, 4,15-Di-Ac C19H26O7 366.167853 NA MeJP NA NA +MJ047077 3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O7 366.167853 NA MeJP NA NA +MJ047078 3,8-Epoxy-2,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O7 366.167853 NA MeJP NA NA +MJ047079 4,15-Dihydroxy-11(13)-pseudoguaien-12,6-olide, 14-Acetoxy, 15-Ac C19H26O7 366.167853 NA MeJP NA NA +MJ047080 4,8,10-Trihydroxy-3-oxo-11(13)-guaien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O7 366.167853 NA MeJP NA NA +MJ047081 6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, 2,3-Dihydro, 2?-hydroxy, 3-hydroxy-2-methylenepropanoyl C19H26O7 366.167853 NA MeJP NA NA +MJ047082 8,10,11-Trihydroxy-3-guaien-12,6-olide, 10,11-Di-Ac C19H26O7 366.167853 NA MeJP NA NA +MJ047083 8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) C19H26O7 366.167853 NA MeJP NA NA +MJ047084 Antibiotic LL-Z1640-2; 7-Alcohol, 5,6-dihydro C19H26O7 366.167853 NA MeJP NA NA +MJ047085 Eurycomalactone; 2?-Alcohol, 6?-hydroxy, ?4,18-isomer C19H26O7 366.167853 NA MeJP NA NA +MJ047086 Hymenoxon; Di-Ac C19H26O7 366.167853 NA MeJP NA NA +MJ047087 Isopterosin C, 1-O-?-L-Arabinoside C19H26O7 366.167853 NA MeJP NA NA +MJ047088 Longilactone C19H26O7 366.167853 NA MeJP NA NA +MJ047089 Plagiochiline F C19H26O7 366.167853 NA MeJP NA NA +MJ047090 Pterosin C, 10-O-?-L-Arabinoside C19H26O7 366.167853 NA MeJP NA NA +MJ047091 Samaderine C; 7-Alcohol C19H26O7 366.167853 NA MeJP NA NA +MJ047092 Secoeremopetasitolide A C19H26O7 366.167853 NA MeJP NA NA +MJ047093 Teucrin D C19H26O7 366.167853 NA MeJP NA NA +C09521 Orizabin C19H26O7 366.1679 NA KEGG NA NA +C09662 Diacetoxyscirpenol C19H26O7 366.1679 NA KEGG NA NA +C17790 Dehydrocorydaline C22H24NO4 366.1705 NA KEGG NA NA +3781 dipeptidyl carboxypeptidase inhibitor PPPG 366.177 ACE inhibitor Inhouse_peptide NA peptide +3782 dipeptidyl carboxypeptidase inhibitor PPGP 366.177 ACE inhibitor Inhouse_peptide NA peptide +7646 ACE inhibitor from pea vicilin GYK 366.178 antioxidative Inhouse_peptide NA peptide +MJ047094 Bufotenine; O-?-D-Glucopyranoside C18H26N2O6 366.179086 NA MeJP NA NA +C15340 20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20- C21H25F3O2 366.1807 NA KEGG NA NA +C15053 2,2-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol C23H26O4 366.1831 NA KEGG NA NA +MJ047095 2,3',4-Trihydroxy-2',5-diprenylbenzophenone C23H26O4 366.183109 NA MeJP NA NA +MJ047096 2,4,6-Trihydroxy-3,5-diprenylbenzophenone C23H26O4 366.183109 NA MeJP NA NA +MJ047097 3-(3,7-Dimethyl-2,6-octadienyl)-2,4,6-trihydroxybenzophenone C23H26O4 366.183109 NA MeJP NA NA +MJ047098 6-Benzoyl-5,7-dihydroxy-2-methyl-2-(4-methyl-3-pentenyl)chroman C23H26O4 366.183109 NA MeJP NA NA +MJ047099 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-(2-Furancarbonyl) C23H26O4 366.183109 NA MeJP NA NA +MJ047100 Nimbothalin C23H26O4 366.183109 NA MeJP NA NA +MJ047101 Paglucinol C23H26O4 366.183109 NA MeJP NA NA +MJ047102 Tavicone C23H26O4 366.183109 NA MeJP NA NA +MJ047103 2-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Hexa-Me C16H30O9 366.188982 NA MeJP NA NA +MJ047104 3-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside, penta-Me C16H30O9 366.188982 NA MeJP NA NA +MJ047105 7-Methyl-3-methylene-1,2,6,7-octanetetrol, 2-O-?-D-Glucopyranoside C16H30O9 366.188982 NA MeJP NA NA +PJ000582 GKY C17H26N4O5 366.1903 NA PeJP NA NA +C09040 Aspidofractine C22H26N2O3 366.1943 NA KEGG NA NA +C11675 16-Methoxytabersonine C22H26N2O3 366.1943 NA KEGG NA NA +C16971 Hirsuteine C22H26N2O3 366.1943 NA KEGG NA NA +MJ047106 Akagerine lactone; O-Et C22H26N2O3 366.194342 NA MeJP NA NA +MJ047107 Akuammine; 10-Deoxy C22H26N2O3 366.194342 NA MeJP NA NA +MJ047108 Alstonerine; 11-Methoxy C22H26N2O3 366.194342 NA MeJP NA NA +MJ047109 Antibiotic YM 47690 C22H26N2O3 366.194342 NA MeJP NA NA +MJ047110 Corynantheine C22H26N2O3 366.194342 NA MeJP NA NA +MJ047111 Geissoschizine; Me ether C22H26N2O3 366.194342 NA MeJP NA NA +MJ047112 Kopsinine; N1-Formyl C22H26N2O3 366.194342 NA MeJP NA NA +MJ047113 Ochropamine C22H26N2O3 366.194342 NA MeJP NA NA +MJ047114 Pericyclivine; 10-Methoxy, N1-Me C22H26N2O3 366.194342 NA MeJP NA NA +MJ047115 Pleiocarpinine; 5-Oxo C22H26N2O3 366.194342 NA MeJP NA NA +MJ047116 Polyneuridine; N1-Me C22H26N2O3 366.194342 NA MeJP NA NA +MJ047117 Rauviridine C22H26N2O3 366.194342 NA MeJP NA NA +MJ047118 Strychnobrasiline C22H26N2O3 366.194342 NA MeJP NA NA +MJ047119 Tabersonine, 11-Methoxy C22H26N2O3 366.194342 NA MeJP NA NA +MJ047120 Talcarpine; 19,20-Didehydro, 10-methoxy C22H26N2O3 366.194342 NA MeJP NA NA +MJ047121 Tsilanine C22H26N2O3 366.194342 NA MeJP NA NA +MJ047122 Vincamajine C22H26N2O3 366.194342 NA MeJP NA NA +MJ047123 Akuammicine, 12-Methoxy, Nb-Me C22H27N2O3(+) 366.194342 NA MeJP NA NA +MJ047124 Akuammidine; N4-Me C22H27N2O3(+) 366.194342 NA MeJP NA NA +MJ047125 Polyneuridine; N4-Me C22H27N2O3(+) 366.194342 NA MeJP NA NA +MJ047126 Tetrahydroalstonine; Nb-Me C22H27N2O3(+) 366.194342 NA MeJP NA NA +MetaCyc03218 16-methoxytabersonine [] C22H26N2O3 366.194343 NA metacyc NA NA +MJ047127 Egregiachloride C C21H31ClO3 366.196172 NA MeJP NA NA +MJ047128 Hamiltonin C C21H31ClO3 366.196172 NA MeJP NA NA +C15381 6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione C21H28F2O3 366.2007 NA KEGG NA NA +C05950 20-COOH-Leukotriene B4 C20H30O6 366.2042 NA KEGG NA NA +C08758 Chaparrolide C20H30O6 366.2042 NA KEGG NA NA +C15438 Bis(2-butoxyethyl)phthalate C20H30O6 366.2042 NA KEGG NA NA +MJ047129 1,5,6,7,14-Vouacapanepentol C20H30O6 366.204238 NA MeJP NA NA +MJ047130 1,5,8-Trihydroxy-4(15)-eudesmen-12,6-olide, 8-(3-Methylbutanoyl) C20H30O6 366.204238 NA MeJP NA NA +MJ047131 1,7,12,14,20-Pentahydroxy-16-kauren-15-one C20H30O6 366.204238 NA MeJP NA NA +MJ047132 11,15,16,17-Tetrahydroxy-19-kauranoic acid, 15-Ketone C20H30O6 366.204238 NA MeJP NA NA +MJ047133 13,18:12,15-Diepoxy-7,14,15-trihydroxy-3-cleroden-6-one C20H30O6 366.204238 NA MeJP NA NA +MJ047134 18,19-Epoxy-3,4,19-trihydroxy-13-cleroden-15,16-olide C20H30O6 366.204238 NA MeJP NA NA +MJ047135 18-Oxo-2,6,10,14-phytatetraene-1,16-dioic acid, 18-Carboxylic acid, 2,3S-dihydro C20H30O6 366.204238 NA MeJP NA NA +MJ047136 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2-(3-Methylbutanoyl) C20H30O6 366.204238 NA MeJP NA NA +MJ047137 2,6,12,19-Tetrahydroxy-8,13-labdadien-15,16-olide C20H30O6 366.204238 NA MeJP NA NA +MJ047138 3,13:7,8-Diepoxy-4,17-dihydroxy-1(15)-cembren-16,14-olide C20H30O6 366.204238 NA MeJP NA NA +MJ047139 3,4,11-Trihydroxy-6-eudesmen-8-one, 11-Hydroperoxide, 3-angeloyl C20H30O6 366.204238 NA MeJP NA NA +MJ047140 3,4,11-Trihydroxy-6-eudesmen-8-one, 11-Hydroperoxide, 3-(3-methyl-2-butenoyl) C20H30O6 366.204238 NA MeJP NA NA +MJ047141 3,4,11-Trihydroxy-6-eudesmen-8-one, 3-(2,3-Epoxy-2-methylbutanoyl) C20H30O6 366.204238 NA MeJP NA NA +MJ047142 3,4-Dihydroxy-7(11)-eudesmen-8-one, 7?,11-Epoxide, 3-(2,3-epoxy-2-methylbutanoyl) C20H30O6 366.204238 NA MeJP NA NA +MJ047143 3,5,6,10,14,16-Grayanotoxanehexol, 3,6-Diketone C20H30O6 366.204238 NA MeJP NA NA +MJ047144 4,7-Epoxy-3,8-dihydroxy-11-oxo-15(17)-cembren-16,12-olide C20H30O6 366.204238 NA MeJP NA NA +MJ047145 5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid, 20-Carboxylic acid C20H30O6 366.204238 NA MeJP NA NA +MJ047146 6,7,18,19-Tetrahydroxy-3,13-clerodadien-15,16-olide C20H30O6 366.204238 NA MeJP NA NA +MJ047147 6,9,15-Trihydroxy-1(10),11(13)-germacradien-12,8-olide, 6-(2-Methylbutanoyl) C20H30O6 366.204238 NA MeJP NA NA +MJ047148 7,11,12,14,18-Pentahydroxy-16-kauren-15-one C20H30O6 366.204238 NA MeJP NA NA +MJ047149 7,12,14,18-Tetrahydroxy-15-kauranone, 18-Carboxylic acid C20H30O6 366.204238 NA MeJP NA NA +MJ047150 7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol C20H30O6 366.204238 NA MeJP NA NA +MJ047151 7,20-Epoxy-16-kaurene-1,6,7,14,15-pentol C20H30O6 366.204238 NA MeJP NA NA +MJ047152 7,20-Epoxy-16-kaurene-3,6,7,15,19-pentol C20H30O6 366.204238 NA MeJP NA NA +MJ047153 7,20-Epoxy-16-kaurene-6,7,11,14,15-pentol C20H30O6 366.204238 NA MeJP NA NA +MJ047154 7,8,16,18-Tetrahydroxy-19-serrulatanoic acid C20H30O6 366.204238 NA MeJP NA NA +MJ047155 8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(4-Hydroxy-3-methylbutanoyl) C20H30O6 366.204238 NA MeJP NA NA +MJ047156 9,10-Dihydroxy-5-oxo-11(13)-germacren-12,8-olide, 8-(2R-Methylbutanoyl) C20H30O6 366.204238 NA MeJP NA NA +MJ047157 9,12,13,16,17-Pentahydroxy-11-kauranone, 17-Aldehyde C20H30O6 366.204238 NA MeJP NA NA +MJ047158 9,13-Epoxy-6,19-dihydroxy-7-oxo-15,16-labdanolide C20H30O6 366.204238 NA MeJP NA NA +MJ047159 9,13:15,16-Diepoxy-6,15,19-trihydroxy-7-labdanone, 6-Ketone, 7?-alcohol, 15-ketone (lactone) C20H30O6 366.204238 NA MeJP NA NA +MJ047160 Chaparrolide C20H30O6 366.204238 NA MeJP NA NA +MJ047161 Cinncassiol A; 19-Deoxy C20H30O6 366.204238 NA MeJP NA NA +MJ047162 Gibberellin A42 C20H30O6 366.204238 NA MeJP NA NA +MJ047163 Gibberellin A83 C20H30O6 366.204238 NA MeJP NA NA +MJ047164 Ingol C20H30O6 366.204238 NA MeJP NA NA +MJ047165 Javanicin V C20H30O6 366.204238 NA MeJP NA NA +MJ047166 Sporotrichiol C20H30O6 366.204238 NA MeJP NA NA +MJ047167 20-COOH-Leukotriene B4 C20H30O6 366.204238 NA MeJP NA NA +HMDB06059 20-Carboxyleukotriene B4 C20H30O6 366.20425 http://www.hmdb.ca/metabolites/HMDB06059 PFEM_hmdb_metabocards_urine NA urine +HMDB06059 20-Carboxyleukotriene B4 C20H30O6 366.20425 http://www.hmdb.ca/metabolites/HMDB06059 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB06059 20-Carboxyleukotriene B4 C20H30O6 366.20425 http://www.hmdb.ca/metabolites/HMDB06059 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB06059 20-Carboxyleukotriene B4 C20H30O6 366.20425 http://www.hmdb.ca/metabolites/HMDB06059 HMDB NA NA +HMDB06059 20-Carboxyleukotriene B4 C20H30O6 366.20425 HMDB06059 PFEM_hmdb_metabocards_official NA NA +HMDB06059 20-Carboxyleukotriene B4 C20H30O6 366.204254 NA HMDB2010 NA NA +MJ047168 Lysergylvaline; Amide C21H26N4O2 366.205576 NA MeJP NA NA +MJ047169 Azipramine C26H26N2 366.209598 NA MeJP NA NA +C17974 Fortimicin KK1 C14H30N4O7 366.2114 NA KEGG NA NA +MJ047170 Fortimicin KK1 C14H30N4O7 366.211449 NA MeJP NA NA +MJ047171 1,18-Diisothiocyanato-1,17-octadecadiene, 1,2-Dihydro C20H34N2S2 366.21634 NA MeJP NA NA +MJ047172 10(14)-Aromadendrene-4,8-diol, 8-Cinnamoyl C24H30O3 366.219494 NA MeJP NA NA +MJ047173 16-Hydroxy-8-tricosene-4,6,17,19-tetraynoic acid, Me ether C24H30O3 366.219494 NA MeJP NA NA +MJ047174 2,8-Daucadiene-5,10-diol, 10-Cinnamoyl(E-) C24H30O3 366.219494 NA MeJP NA NA +MJ047175 4,8-Daucadien-14-ol; 14-(2-Hydroxycinnamoyl)(E-) C24H30O3 366.219494 NA MeJP NA NA +MJ047176 Bufotalein C24H30O3 366.219494 NA MeJP NA NA +MJ047177 Cocanicin C24H30O3 366.219494 NA MeJP NA NA +MJ047178 Dihydroamorphastilbol; 4''-Hydroxy C24H30O3 366.219494 NA MeJP NA NA +MJ047179 Ferulenol C24H30O3 366.219494 NA MeJP NA NA +MJ047180 Gancaonin S; 3'-Deoxy C24H30O3 366.219494 NA MeJP NA NA +MJ047181 Osthenol; O-(3,7-Dimethyl-2E,6E-octadienyl) C24H30O3 366.219494 NA MeJP NA NA +MJ047182 Spirorenone; 1,2-Dihydro C24H30O3 366.219494 NA MeJP NA NA +MJ047183 Umbelliprenin C24H30O3 366.219494 NA MeJP NA NA +MJ047184 Fumigaclavine C C23H30N2O2 366.230728 NA MeJP NA NA +MJ047185 Ohmefentanyl C23H30N2O2 366.230728 NA MeJP NA NA +MJ047186 Piminodine C23H30N2O2 366.230728 NA MeJP NA NA +C15322 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate C22H32F2O2 366.237 NA KEGG NA NA +C05472 Urocortisol C21H34O5 366.2406 NA KEGG NA NA +C05481 Cortolone C21H34O5 366.2406 NA KEGG NA NA +MJ047187 1,2,3,16-Tetrahydroxypregnan-20-one C21H34O5 366.240624 NA MeJP NA NA +MJ047188 11,15-Dihydroxy-15-methyl-9-oxo-5,13-prostadienoic acid C21H34O5 366.240624 NA MeJP NA NA +MJ047189 19,20-Epoxy-3,13-clerodadiene-6,15,16,19-tetrol, 19-Me ether C21H34O5 366.240624 NA MeJP NA NA +MJ047190 2,3,4,16-Tetrahydroxypregnan-20-one C21H34O5 366.240624 NA MeJP NA NA +MJ047191 3,11,17,21-Tetrahydroxypregnan-20-one C21H34O5 366.240624 NA MeJP NA NA +MJ047192 3,14,15,16-Tetrahydroxypregnan-20-one C21H34O5 366.240624 NA MeJP NA NA +MJ047193 3,15-Dihydroxy-4,6,8,14-tetramethyl-5,9-dioxo-10,12-heptadecadienoic acid; 1,15-Lactone, 9S-alcohol C21H34O5 366.240624 NA MeJP NA NA +MJ047194 3,17,20,21-Tetrahydroxypregnan-11-one C21H34O5 366.240624 NA MeJP NA NA +MJ047195 5-Tridecyl-1,3-benzenediol; 2'-Acetoxy, 8'-hydroxy C21H34O5 366.240624 NA MeJP NA NA +MJ047196 5-Tridecyl-1,3-benzenediol; 2'R-Acetoxy, 11'S-hydroxy C21H34O5 366.240624 NA MeJP NA NA +MJ047197 5-Tridecyl-1,3-benzenediol; 2'R-Acetoxy, 12'S-hydroxy C21H34O5 366.240624 NA MeJP NA NA +MJ047198 6-(2,12-Dihydroxytridecyl)-2,4-dihydroxybenzoic acid, 2'-Deoxy, 12'-Me ether C21H34O5 366.240624 NA MeJP NA NA +MJ047199 8,13-Epoxy-2,3-seco-14-labdene-2,3-dioic acid, 3-Me ester C21H34O5 366.240624 NA MeJP NA NA +MJ047200 9,13:15,16-Diepoxy-6,15-dihydroxy-7-labdanone, 15-Me ether C21H34O5 366.240624 NA MeJP NA NA +MJ047201 Antibiotic MF 4833 C21H34O5 366.240624 NA MeJP NA NA +MJ047202 Betaenone A C21H34O5 366.240624 NA MeJP NA NA +MJ047203 Betaenone D; 2',3'-Didehydro, 1''-deoxy C21H34O5 366.240624 NA MeJP NA NA +MJ047204 Isomuronic acid C21H34O5 366.240624 NA MeJP NA NA +MJ047205 Murolic acid, 14'-Ketone C21H34O5 366.240624 NA MeJP NA NA +MJ047206 Murolic acid, 2-Epimer, 14'-ketone C21H34O5 366.240624 NA MeJP NA NA +MJ047207 Podopyrone; 10'-Acetoxy C21H34O5 366.240624 NA MeJP NA NA +MJ047208 Pregn-5-ene-3,11,12,14,20-pentol C21H34O5 366.240624 NA MeJP NA NA +MJ047209 Pregn-5-ene-3,12,14,17,20-pentol C21H34O5 366.240624 NA MeJP NA NA +MJ047210 Pregn-5-ene-3,14,17,20,21-pentol C21H34O5 366.240624 NA MeJP NA NA +MJ047211 Pregn-5-ene-3,8,12,14,20-pentol C21H34O5 366.240624 NA MeJP NA NA +MJ047212 Pregnane-3,6,16,17,20-pentol, 6-Ketone C21H34O5 366.240624 NA MeJP NA NA +MJ047213 Prosta-5,13-diene-1,9,11,15-tetrol cyclic 9,11-carbonate C21H34O5 366.240624 NA MeJP NA NA +MJ047214 Shahamin B C21H34O5 366.240624 NA MeJP NA NA +MJ047215 Cortolone C21H34O5 366.240624 NA MeJP NA NA +MJ047216 Urocortisol C21H34O5 366.240624 NA MeJP NA NA +MetaCyc03219 urocortisol [] C21H34O5 366.240624 NA metacyc NA NA +MetaCyc03220 cortolone [] C21H34O5 366.240624 516-42-7 metacyc NA NA +HMDB00526 5a-Tetrahydrocortisol C21H34O5 366.24063 http://www.hmdb.ca/metabolites/HMDB00526 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00314 3b-Allotetrahydrocortisol C21H34O5 366.24063 http://www.hmdb.ca/metabolites/HMDB00314 HMDB NA NA +HMDB00526 5a-Tetrahydrocortisol C21H34O5 366.24063 http://www.hmdb.ca/metabolites/HMDB00526 HMDB NA NA +HMDB00949 Tetrahydrocortisol C21H34O5 366.24063 http://www.hmdb.ca/metabolites/HMDB00949 HMDB NA NA +HMDB03128 Cortolone C21H34O5 366.24063 http://www.hmdb.ca/metabolites/HMDB03128 HMDB NA NA +HMDB00526 5a-Tetrahydrocortisol C21H34O5 366.24063 http://www.hmdb.ca/metabolites/HMDB00526 PFEM_hmdb_metabocards_blood NA blood +HMDB00314 3b-Allotetrahydrocortisol C21H34O5 366.24063 HMDB00314 PFEM_hmdb_metabocards_official NA NA +HMDB00526 5a-Tetrahydrocortisol C21H34O5 366.24063 HMDB00526 PFEM_hmdb_metabocards_official NA NA +HMDB00949 Tetrahydrocortisol C21H34O5 366.24063 HMDB00949 PFEM_hmdb_metabocards_official NA NA +HMDB03128 Cortolone C21H34O5 366.24063 HMDB03128 PFEM_hmdb_metabocards_official NA NA +HMDB00314 3b-Allotetrahydrocortisol C21H34O5 366.240631 NA HMDB2010 NA NA +HMDB00526 5a-Tetrahydrocortisol C21H34O5 366.240631 NA HMDB2010 NA NA +HMDB00949 Tetrahydrocortisol C21H34O5 366.240631 NA HMDB2010 NA NA +HMDB03128 Cortolone C21H34O5 366.240631 NA HMDB2010 NA NA +HMDB13221 Beta-Cortolone C21H34O5 366.240631 NA HMDB2010 NA NA +MJ047217 Spiriprostil C20H34N2O4 366.251857 NA MeJP NA NA +MJ047218 3-Hydroxy-12'-apo-?-caroten-12'-al C25H34O2 366.25588 NA MeJP NA NA +MJ047219 5-(4,7,10,13,16-Nonadecapentaenyl)-1,3-benzenediol C25H34O2 366.25588 NA MeJP NA NA +MJ047220 5-Oxo-3,7,16,18-ophiobolatetraen-21-al C25H34O2 366.25588 NA MeJP NA NA +MJ047221 Homoplakotenin C25H34O2 366.25588 NA MeJP NA NA +MJ047222 Quingestanol C25H34O2 366.25588 NA MeJP NA NA +C06847 Bepridil C24H34N2O 366.2671 NA KEGG NA NA +C06848 Transferred to D00244 C24H34N2O 366.2671 NA KEGG NA NA +MJ047223 Bepridil C24H34N2O 366.267113 NA MeJP NA NA +MJ047224 13-Labdene-3,8,15-triol, 3-Ac C22H38O4 366.277009 NA MeJP NA NA +MJ047225 13-Labdene-8,15,18-triol, 15-Ac C22H38O4 366.277009 NA MeJP NA NA +MJ047226 13-Labdene-8,15,19-triol, 19-Ac C22H38O4 366.277009 NA MeJP NA NA +MJ047227 3-(3-Oxo-1-nonadecenyl)oxiranecarboxylic acid C22H38O4 366.277009 NA MeJP NA NA +MJ047228 4,6,8,10-Tetraethyl-4,6-dihydroxy-2,7,11-tetradecatrienoic acid C22H38O4 366.277009 NA MeJP NA NA +MJ047229 8(17)-Labdene-13,14,15-triol, 15-Ac C22H38O4 366.277009 NA MeJP NA NA +MJ047230 8,13-Epoxy-14,15-labdanediol, 15-Ac C22H38O4 366.277009 NA MeJP NA NA +MJ047231 Amphidinin A C22H38O4 366.277009 NA MeJP NA NA +MJ047232 Plakortide H C22H38O4 366.277009 NA MeJP NA NA +MJ047233 Podoblastin C C22H38O4 366.277009 NA MeJP NA NA +MJ047234 1-(3-Hydroxyphenyl)-14-phenyl-2-tetradecanol; 2-Deoxy C26H38O 366.292265 NA MeJP NA NA +MJ047235 2-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)benzene C26H38O 366.292265 NA MeJP NA NA +MJ047236 Dihydro-4-hydroxy-5-methyl-3-(9-octadecenyl)-2(3H)-furanone C23H42O3 366.313395 NA MeJP NA NA +MJ047237 1-(5-Butyltetrahydro-2-furanyl)-2-hexacosanone C24H46O2 366.34978 NA MeJP NA NA +MJ047238 10,12-Tetracosanedione C24H46O2 366.34978 NA MeJP NA NA +MJ047239 15-Tetracosenoic acid C24H46O2 366.34978 NA MeJP NA NA +MJ047240 2-Tetracosenoic acid C24H46O2 366.34978 NA MeJP NA NA +MJ047241 24-Hydroxytetracosanoic acid; Lactone C24H46O2 366.34978 NA MeJP NA NA +MJ047242 4,6-Tetracosanedione C24H46O2 366.34978 NA MeJP NA NA +MJ047243 5,7-Tetracosanedione C24H46O2 366.34978 NA MeJP NA NA +MJ047244 6,8-Tetracosanedione C24H46O2 366.34978 NA MeJP NA NA +MJ047245 7,9-Tetracosanedione C24H46O2 366.34978 NA MeJP NA NA +MJ047246 7-Tetracosenoic acid C24H46O2 366.34978 NA MeJP NA NA +HMDB02368 Nervonic acid C24H46O2 366.34979 http://www.hmdb.ca/metabolites/HMDB02368 HMDB NA NA +HMDB02368 Nervonic acid C24H46O2 366.34979 HMDB02368 PFEM_hmdb_metabocards_official NA NA +HMDB02368 Nervonic acid C24H46O2 366.349792 NA HMDB2010 NA NA +C08323 (15Z)-Tetracosenoic acid C24H46O2 366.3498 NA KEGG NA NA +C15398 10,13-Dimethyl-11-docosyne-10,13-diol C24H46O2 366.3498 NA KEGG NA NA +MJ047247 7-Pentacosanone C25H50O 366.386166 NA MeJP NA NA +MJ047248 Pentacosanal C25H50O 366.386166 NA MeJP NA NA +MJ047249 Hexacosane C26H54 366.422551 NA MeJP NA NA +MJ047250 3-Methylpentacosane C26H54 366.422551 NA MeJP NA NA +2706 erythromycin inhibitor MNWKR 366.67865 MH2+ Inhouse_peptide NA peptide +MJ047251 Convolutamydines; Convolutamydine B C10H8Br2ClNO2 366.861031 NA MeJP NA NA +C11028 Phosalone C12H15ClNO4PS2 366.9869 NA KEGG NA NA +C14949 3-[(2,6-Dichlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one C20H11Cl2NO2 367.0167 NA KEGG NA NA +C14950 3-[(2,4-Dichlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one C20H11Cl2NO2 367.0167 NA KEGG NA NA +MJ047252 Cefaclor C15H14ClN3O4S 367.039354 NA MeJP NA NA +C06877 Cefaclor C15H14ClN3O4S 367.0394 NA KEGG NA NA +MJ047253 Acreozast C15H14ClN3O6 367.057112 NA MeJP NA NA +MJ047254 Lodoxamide; Di-Et ester C15H14ClN3O6 367.057112 NA MeJP NA NA +MJ047255 1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid, Nitrile, 1-O-?-glucopyranoside, 4-O-sulfate C12H17NO10S 367.057316 NA MeJP NA NA +MJ047256 3-[[(4-Chlorophenyl)methyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid C17H18ClNO4S 367.064506 NA MeJP NA NA +MJ047257 Ekatetrone C19H13NO7 367.069201 NA MeJP NA NA +MJ047258 Quincarbate C17H18ClNO6 367.082265 NA MeJP NA NA +MJ047259 Betiatide C15H17N3O6S 367.083805 NA MeJP NA NA +PJ000583 CDM C12H21N3O6S2 367.0872 NA PeJP NA NA +MJ047260 2,8-Dihydroxy-4-quinolinecarboxylic acid; O-?-D-Glucopyranoside C16H17NO9 367.090331 NA MeJP NA NA +C08109 Loracarbef monohydrate C16H16ClN3O4 367.0935 NA KEGG NA NA +C11034 MK-129 C21H18ClNO3 367.0975 NA KEGG NA NA +MJ047261 Adlumidine C20H17NO6 367.105587 NA MeJP NA NA +MJ047262 Africanine C20H17NO6 367.105587 NA MeJP NA NA +MJ047263 Bicuculline C20H17NO6 367.105587 NA MeJP NA NA +MJ047264 Chilenine, Deoxy C20H17NO6 367.105587 NA MeJP NA NA +MJ047265 Corydaine C20H17NO6 367.105587 NA MeJP NA NA +MJ047266 Decumbenine C20H17NO6 367.105587 NA MeJP NA NA +MJ047267 Dioxocularine C20H17NO6 367.105587 NA MeJP NA NA +MJ047268 Himalayamine C20H17NO6 367.105587 NA MeJP NA NA +MJ047269 Hypecorine, 8-Oxo C20H17NO6 367.105587 NA MeJP NA NA +MJ047270 Hypecorinine C20H17NO6 367.105587 NA MeJP NA NA +MJ047271 Iwamide C20H17NO6 367.105587 NA MeJP NA NA +MJ047272 Ouregidione; 8-Methoxy C20H17NO6 367.105587 NA MeJP NA NA +MJ047273 Oxychelidonine C20H17NO6 367.105587 NA MeJP NA NA +MJ047274 Pareirubrine A C20H17NO6 367.105587 NA MeJP NA NA +MJ047275 Protopine; 13-Oxo C20H17NO6 367.105587 NA MeJP NA NA +MJ047276 Protopine; 8-Oxo C20H17NO6 367.105587 NA MeJP NA NA +MJ047277 Ribasine; 13?-Hydroxy C20H17NO6 367.105587 NA MeJP NA NA +MJ047278 Sibiricine; Natural-form C20H17NO6 367.105587 NA MeJP NA NA +MJ047279 Yagonine C20H17NO6 367.105587 NA MeJP NA NA +MJ047280 Leptopine C20H18NO6(+) 367.105587 NA MeJP NA NA +C09364 Bicuculline C20H17NO6 367.1056 NA KEGG NA NA +C09372 Capnoidine C20H17NO6 367.1056 NA KEGG NA NA +MJ047281 Limalongine; 10-Chloro C18H22ClNO5 367.11865 NA MeJP NA NA +C11562 N-[2-(4-Chloro-phenyl)-acetyl]-N'-(4,7-dimethyl-quinazolin-2-yl)- C19H18ClN5O 367.12 NA KEGG NA NA +MJ047282 Karnamicin B2 C16H21N3O5S 367.120191 NA MeJP NA NA +MJ047283 Karnamicin C1 C16H21N3O5S 367.120191 NA MeJP NA NA +MJ047284 Karnamicin C5 C16H21N3O5S 367.120191 NA MeJP NA NA +MJ047285 Riodipine C18H19F2NO5 367.123129 NA MeJP NA NA +PJ000584 SMM C13H25N3O5S2 367.1236 NA PeJP NA NA +MJ047286 Mescaline citrimide C17H21NO8 367.126716 NA MeJP NA NA +7869 peptide from Okara protein SDF 367.1269 antioxidative Inhouse_peptide NA peptide +8023 synthetic peptide PHD 367.1369 antibacterial Inhouse_peptide NA peptide +PJ000585 GEY C16H21N3O7 367.138 NA PeJP NA NA +C10939 N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(3,4- C19H20F3NO3 367.1395 NA KEGG NA NA +MJ047287 8-Oxopseudopalmatine C21H21NO5 367.141972 NA MeJP NA NA +MJ047288 Capitavine; 4'-Hydroxy C21H21NO5 367.141972 NA MeJP NA NA +MJ047289 Citracridone III; 5,6-Di-Me ether C21H21NO5 367.141972 NA MeJP NA NA +MJ047290 Corycavamine C21H21NO5 367.141972 NA MeJP NA NA +MJ047291 Corynoline C21H21NO5 367.141972 NA MeJP NA NA +MJ047292 Corystewartine C21H21NO5 367.141972 NA MeJP NA NA +MJ047293 Dehydroocoteine C21H21NO5 367.141972 NA MeJP NA NA +MJ047294 Isocorynoline C21H21NO5 367.141972 NA MeJP NA NA +MJ047295 Leucoxine, Me ether, 6a,7-Didehydro C21H21NO5 367.141972 NA MeJP NA NA +MJ047296 Nantenine, N-De-Me, N-Ac C21H21NO5 367.141972 NA MeJP NA NA +MJ047297 Oxypalmatine C21H21NO5 367.141972 NA MeJP NA NA +MJ047298 Parfumine; Me ether C21H21NO5 367.141972 NA MeJP NA NA +MJ047299 Phoebine, 6a,7-Didehydro C21H21NO5 367.141972 NA MeJP NA NA +MJ047300 Anisocycline; 4-O-De-Me C21H22NO5(+) 367.141972 NA MeJP NA NA +MJ047301 Papaveraldine; N-Me C21H22NO5(+) 367.141972 NA MeJP NA NA +MJ047302 Stephabine C21H22NO5(+) 367.141972 NA MeJP NA NA +MJ047303 Usambanoline C21H22NO5(+) 367.141972 NA MeJP NA NA +3488 ACE inhibitor from sake lees YW 367.142 ACE inhibitor Inhouse_peptide NA peptide +7898 peptide from bovine b-lactoglobulin WY 367.142 antioxidative Inhouse_peptide NA peptide +MJ047304 Dambullin; 12-Methoxy C18H25NO5S 367.145343 NA MeJP NA NA +MJ047305 Casuarine; 6-O-?-D-Glucopyranoside C14H25NO10 367.147846 NA MeJP NA NA +HMDB02220 N-Acetyl-6-O-L-fucosyl-D-glucosamine C14H25NO10 367.147858 NA HMDB2010 NA NA +HMDB05817 2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose C14H25NO10 367.147858 NA HMDB2010 NA NA +HMDB06700 3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose C14H25NO10 367.147858 NA HMDB2010 NA NA +HMDB02220 N-Acetyl-6-O-L-fucosyl-D-glucosamine C14H25NO10 367.14786 http://www.hmdb.ca/metabolites/HMDB02220 HMDB NA NA +HMDB05817 2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose C14H25NO10 367.14786 http://www.hmdb.ca/metabolites/HMDB05817 HMDB NA NA +HMDB06700 3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose C14H25NO10 367.14786 http://www.hmdb.ca/metabolites/HMDB06700 HMDB NA NA +HMDB02220 N-Acetyl-6-O-L-fucosyl-D-glucosamine C14H25NO10 367.14786 HMDB02220 PFEM_hmdb_metabocards_official NA NA +HMDB05817 2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose C14H25NO10 367.14786 HMDB05817 PFEM_hmdb_metabocards_official NA NA +HMDB06700 3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose C14H25NO10 367.14786 HMDB06700 PFEM_hmdb_metabocards_official NA NA +PJ000586 PDH C15H21N5O6 367.1492 NA PeJP NA NA +PJ000587 YW C20H21N3O4 367.1532 NA PeJP NA NA +MJ047306 Fradafiban C20H21N3O4 367.153206 NA MeJP NA NA +MJ047307 Cipropride C17H25N3O4S 367.156576 NA MeJP NA NA +PJ000588 AMF C17H25N3O4S 367.1566 NA PeJP NA NA +C10333 Isatidine C18H25NO7 367.1631 NA KEGG NA NA +MJ047308 8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-(3,4,5-Trimethoxybenzoyl) C18H25NO7 367.163102 NA MeJP NA NA +MJ047309 Madurensine; 18-Hydroxy C18H25NO7 367.163102 NA MeJP NA NA +MJ047310 Monocrotaline; O13-Ac C18H25NO7 367.163102 NA MeJP NA NA +MJ047311 Retrorsine; N-Oxide C18H25NO7 367.163102 NA MeJP NA NA +MJ047312 9-Methoxy-N,N-dimethyl-5-nitropyrazolo[3,4,5-kl]acridine-2(6H)-propanamine C19H21N5O3 367.164439 NA MeJP NA NA +MJ047313 Prucalopride C18H26ClN3O3 367.166269 NA MeJP NA NA +MJ047314 2,3-Dihydro-3-(4-methylpiperazinylmethyl)-2-phenyl-1,5-benzothiazepin-4(5H)-one C21H25N3OS 367.171833 NA MeJP NA NA +PJ000589 SVY C17H25N3O6 367.1743 NA PeJP NA NA +MJ047315 2-(?-Hydroxybenzyl)-3,6-tropanediol; O3-Benzoyl C22H25NO4 367.178358 NA MeJP NA NA +MJ047316 2-(?-Hydroxybenzyl)-3,6-tropanediol; O6-Benzoyl C22H25NO4 367.178358 NA MeJP NA NA +MJ047317 4-[[1-[4-(1,1-Dimethylethyl)phenyl]-5-oxo-3-pyrrolidinyl]methoxy]benzoic acid C22H25NO4 367.178358 NA MeJP NA NA +MJ047318 Dimoxyline C22H25NO4 367.178358 NA MeJP NA NA +MJ047319 Pitofenone C22H25NO4 367.178358 NA MeJP NA NA +JH189 Naringenin N/A NA 367.1822 17.87 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH189 Naringenin N/A NA 367.1822 17.87 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH189 Naringenin N/A NA 367.1822 17.87 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH189 Naringenin N/A NA 367.1822 17.87 Inhousejuil11 NA NA +MJ047320 Antibiotic WF 14865; Antibiotic WF 14865A C16H25N5O5 367.185568 NA MeJP NA NA +MJ047321 Antibiotic WF 14865; Antibiotic WF 14865B C16H25N5O5 367.185568 NA MeJP NA NA +MJ047322 Brevianamide E C21H25N3O3 367.189591 NA MeJP NA NA +MJ047323 Naamine B C21H25N3O3 367.189591 NA MeJP NA NA +MJ047324 Tacraline; De-Ac C21H25N3O3 367.189591 NA MeJP NA NA +MJ047325 Tiracizine C21H25N3O3 367.189591 NA MeJP NA NA +MJ047326 Crosemperine C19H29NO6 367.199487 NA MeJP NA NA +MJ047327 Senkirkine; 1R,2-Dihydro C19H29NO6 367.199487 NA MeJP NA NA +MJ047328 N-(1-Cyclohexylethyl)-1-ethyl-6-nitro-1H-pyrazolo[3,4-b]quinolin-4-amine C20H25N5O2 367.200825 NA MeJP NA NA +8002 synthetic peptide LHV 367.21 antibacterial Inhouse_peptide NA peptide +MJ047329 Terbutaline, 3,5-Bis(dimethylcarbamate) C18H29N3O5 367.210721 NA MeJP NA NA +C07852 Propiverine C23H29NO3 367.2147 NA KEGG NA NA +MJ047330 Benzethidine C23H29NO3 367.214743 NA MeJP NA NA +MJ047331 Carbazomadurin B C23H29NO3 367.214743 NA MeJP NA NA +MJ047332 Conorfone C23H29NO3 367.214743 NA MeJP NA NA +MJ047333 Fenbutrazate C23H29NO3 367.214743 NA MeJP NA NA +MJ047334 Lycopecurine; 2?-Benzoyloxy C23H29NO3 367.214743 NA MeJP NA NA +MJ047335 Phenoperidine C23H29NO3 367.214743 NA MeJP NA NA +MJ047336 Piperundecalidine C23H29NO3 367.214743 NA MeJP NA NA +MJ047337 Propiverine C23H29NO3 367.214743 NA MeJP NA NA +MJ047338 Pubescinine C23H29NO3 367.214743 NA MeJP NA NA +PJ000590 VLH C17H29N5O4 367.222 NA PeJP NA NA +MJ047339 Brevicompanine A C22H29N3O2 367.225977 NA MeJP NA NA +MJ047340 Fructigenine B; N-De-Ac C22H29N3O2 367.225977 NA MeJP NA NA +MJ047341 Kalihinene X C21H34ClNO2 367.227807 NA MeJP NA NA +MJ047342 Trachelanthamine; 8-Epimer, O-tigloyl C20H33NO5 367.235873 NA MeJP NA NA +MJ047343 Blonanserin C23H30FN3 367.242376 NA MeJP NA NA +HMDB13331 3, 5-Tetradecadiencarnitine C21H37NO4 367.272247 NA HMDB2010 NA NA +MJ047344 2-(Aminomethyl)-2-propenoic acid; N-(2-Oxohexadecanoyl), Me ester C21H37NO4 367.272258 NA MeJP NA NA +MJ047345 2-Pentadecyl-4(1H)-quinolinone; 10',11'-Didehydro, N-Me, (Z-) C25H37NO 367.287514 NA MeJP NA NA +MJ047346 2-Pentadecyl-4(1H)-quinolinone; 6',7'-Didehydro, N-Me, (Z-) C25H37NO 367.287514 NA MeJP NA NA +MJ047347 2-Pentadecyl-4(1H)-quinolinone; 9',10'-Didehydro, N-Me (Z-) C25H37NO 367.287514 NA MeJP NA NA +MJ047348 Cyclobuxaphylamine C25H37NO 367.287514 NA MeJP NA NA +MJ047349 Cyclobuxomicreinine C25H37NO 367.287514 NA MeJP NA NA +MJ047350 Cyclobuxophylline O; 1,2-Didehydro, N-Me C25H37NO 367.287514 NA MeJP NA NA +MJ047351 Cyclomicrobuxeine K C25H37NO 367.287514 NA MeJP NA NA +MJ047352 Cyclosuffrobuxinine M; N-Me C25H37NO 367.287514 NA MeJP NA NA +MJ047353 Semperviraminone; N-De-Me C25H37NO 367.287514 NA MeJP NA NA +MJ047354 Benzyldimethyl(tetradecyl)ammonium(1+); Chloride C23H42ClN 367.300578 NA MeJP NA NA +MJ047355 2-(Aminomethyl)-2-propenoic acid; N-(15-Methylhexadecanoyl), Me ester C22H41NO3 367.308644 NA MeJP NA NA +MJ047356 2-(Aminomethyl)-2-propenoic acid; N-(Methylhexadecanoyl), Me ester C22H41NO3 367.308644 NA MeJP NA NA +MJ047357 2-(Aminomethyl)-2-propenoic acid; N-Heptadecanoyl, Me ester C22H41NO3 367.308644 NA MeJP NA NA +3658 NA ITDFQI 367.68395 MH2+ Inhouse_peptide NA peptide +C14301 Dicofol C14H9Cl5O 367.9096 NA KEGG NA NA +MJ047358 Nolinium(1+); Bromide C15H11BrCl2N2 367.948266 NA MeJP NA NA +MJ047359 9-Chloro-7,12-dihydro-6,8-dihydroxy-7,12-dioxobenz[a]anthracene-2-carboxylic acid C19H9ClO6 368.008765 NA MeJP NA NA +MJ047360 3-(3,4-Dihydroxyphenyl)-2,3-dihydro-2-hydroxy-1,4-benzodioxin-6-carboxaldehyde; 2-Sulfate C15H12O9S 368.020202 NA MeJP NA NA +MJ047361 Chlormerodrin C5H11ClHgN2O2 368.02153 NA MeJP NA NA +MJ047362 Caloploicin; 7-Dechloro C17H14Cl2O5 368.021828 NA MeJP NA NA +MJ047363 Diploicin; 4,9-Bisdechloro, Me ether C17H14Cl2O5 368.021828 NA MeJP NA NA +MJ047364 Vicanicin; O-De-Me C17H14Cl2O5 368.021828 NA MeJP NA NA +MJ047365 Orotidine; 5'-Phosphate C10H13N2O11P 368.025695 NA MeJP NA NA +MJ047366 Orotidine 5'-phosphate C10H13N2O11P 368.025695 NA MeJP NA NA +HMDB00218 Orotidylic acid C10H13N2O11P 368.025696 NA HMDB2010 NA NA +MetaCyc03221 orotidine-5'-phosphate [] C10H13N2O11P1 368.025696 2149-82-8 metacyc NA NA +HMDB00218 Orotidylic acid C10H13N2O11P 368.0257 http://www.hmdb.ca/metabolites/HMDB00218 HMDB NA NA +C01103 Orotidine 5'-phosphate C10H13N2O11P 368.0257 NA KEGG NA NA +HMDB00218 Orotidylic acid C10H13N2O11P 368.0257 HMDB00218 PFEM_hmdb_metabocards_official NA NA +MJ047367 Chloromonilinic acid B; 14-Hydroxy C16H13ClO8 368.029895 NA MeJP NA NA +MJ047368 5-Iodo-7-(1-piperidinylmethyl)-8-quinolinol C15H17IN2O 368.038556 NA MeJP NA NA +MJ047369 Palmarumycin CP1; 6-Chloro, 2?,3?-epoxide, 4?-alcohol C20H13ClO5 368.045151 NA MeJP NA NA +MJ047370 Xestoquinone; 14-Hydroxy, 15-chloro C20H13ClO5 368.045151 NA MeJP NA NA +MJ047371 Xestoquinone; 15-Hydroxy, 14-chloro C20H13ClO5 368.045151 NA MeJP NA NA +C15300 Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-7-chloro-4,6-dimethoxy-6'- C17H17ClO5S 368.0485 NA KEGG NA NA +MJ047372 Gliotoxin; Ac C15H16N2O5S2 368.050063 NA MeJP NA NA +MJ047373 4,5-Dihydroxyanthraquinone-2-carboxylic acid; Di-Ac C19H12O8 368.053217 NA MeJP NA NA +MJ047374 Boennin C19H12O8 368.053217 NA MeJP NA NA +MJ047375 Antibiotic SF 2543 C20H16O5S 368.071844 NA MeJP NA NA +PJ000591 GSCC C11H20N4O6S2 368.0824 NA PeJP NA NA +MJ047376 Pyritinol C16H20N2O4S2 368.086448 NA MeJP NA NA +MJ047377 Thunbergioside; 5-Deoxy C14H21ClO9 368.087409 NA MeJP NA NA +MJ047378 Palythine-threonine; 7-O-Sulfate C12H20N2O9S 368.08895 NA MeJP NA NA +C10194 Velloquercetin C20H16O7 368.0896 NA KEGG NA NA +C12401 PD116740 C20H16O7 368.0896 NA KEGG NA NA +FL3FRNNF0001 Artoindonesianin P;O,O'-Didemethylartonin L;O-Demethylartonin K;5a,6-Dihydro-1,3,8,10-tetrahydroxy-5,5-dimethyl-5H,7H-benzofuro[3,4-bc]xanthen-7-one C20H16O7 368.0896 148719-53-3 knapsack NA NA +FL3FRNNP0001 (+)-Cyclochampedol;Cyclochampedol;(+)-2,3,8,10-Tetrahydroxy-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one C20H16O7 368.0896 180845-64-1 knapsack NA NA +FL5FACNF0001 Velloquercetin C20H16O7 368.0896 139955-63-8 knapsack NA NA +FLIE1ANP0004 Corylidin C20H16O7 368.0896 63109-31-9 knapsack NA NA +FLIFALNF0002 Malaccol C20H16O7 368.0896 478-07-9 knapsack NA NA +FLIFHXNF0003 12a-Hydroxyerosone C20H16O7 368.0896 66322-32-5 knapsack NA NA +FLIG1LNF0001 Lupinalbin E C20H16O7 368.0896 98113-95-2 knapsack NA NA +FLIG1LNF0002 Lupinalbin C C20H16O7 368.0896 98094-86-1 knapsack NA NA +MJ047379 1,8-Dihydroxy-3-(methoxycarbonylmethyl)-2-(1-oxopropyl)anthraquinone C20H16O7 368.089602 NA MeJP NA NA +MJ047380 1-(6-Hydroxy-4,7-dimethoxy-5-benzofuranyl)-3-(3,4-methylenedioxyphenyl)-2-propen-1-one C20H16O7 368.089602 NA MeJP NA NA +MJ047381 12a-Hydroxyerosone C20H16O7 368.089602 NA MeJP NA NA +MJ047382 2-[2-(2,4-Dihydroxy-6-methylbenzoyl)-3-hydroxybenzyl]-6-hydroxy-4H-1-pyran-4-one C20H16O7 368.089602 NA MeJP NA NA +MJ047383 3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4,5-Di-Me ether C20H16O7 368.089602 NA MeJP NA NA +MJ047384 3,4,4',5,5'-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',5-Di-Me ether C20H16O7 368.089602 NA MeJP NA NA +MJ047385 3,4:3',4'-Bis(methylenedioxy)lignan-9,9'-olide, 7'-Oxo C20H16O7 368.089602 NA MeJP NA NA +MJ047386 3,4:3',4'-Bis(methylenedioxy)lignan-9,9'-olide, 7-Oxo C20H16O7 368.089602 NA MeJP NA NA +MJ047387 Alterperylenol; 5,6-Dihydro, 6?-hydroxy C20H16O7 368.089602 NA MeJP NA NA +MJ047388 Antibiotic C 122 VI; 2-(or3-)-Hydroxy C20H16O7 368.089602 NA MeJP NA NA +MJ047389 Antibiotic PD 116740 C20H16O7 368.089602 NA MeJP NA NA +MJ047390 Antibiotic S 383-0 C20H16O7 368.089602 NA MeJP NA NA +MJ047391 Antibiotic SM 173B C20H16O7 368.089602 NA MeJP NA NA +MJ047392 Antibiotic Sch 49211; 6,7-Dihydro C20H16O7 368.089602 NA MeJP NA NA +MJ047393 Antibiotic UCT 1072M2 C20H16O7 368.089602 NA MeJP NA NA +MJ047394 Aptosimol, 9-Ketone (lactone) C20H16O7 368.089602 NA MeJP NA NA +MJ047395 Aversin C20H16O7 368.089602 NA MeJP NA NA +MJ047396 Averufin C20H16O7 368.089602 NA MeJP NA NA +MJ047397 Calocedrin C20H16O7 368.089602 NA MeJP NA NA +MJ047398 Candidusin A; 3'-Hydroxy C20H16O7 368.089602 NA MeJP NA NA +MJ047399 Corylidin C20H16O7 368.089602 NA MeJP NA NA +MJ047400 Cyclocommunol; 5'-Hydroxy C20H16O7 368.089602 NA MeJP NA NA +MJ047401 Deoxyaverufinone C20H16O7 368.089602 NA MeJP NA NA +MJ047402 Gmelanone C20H16O7 368.089602 NA MeJP NA NA +MJ047403 Lupinalbin C C20H16O7 368.089602 NA MeJP NA NA +MJ047404 Lupinalbin E C20H16O7 368.089602 NA MeJP NA NA +MJ047405 Lupinalbin G C20H16O7 368.089602 NA MeJP NA NA +MJ047406 Malaccol C20H16O7 368.089602 NA MeJP NA NA +MJ047407 Naphthgeranine F C20H16O7 368.089602 NA MeJP NA NA +MJ047408 Paeciloquinone E C20H16O7 368.089602 NA MeJP NA NA +MJ047409 Palmarumycin C15 C20H16O7 368.089602 NA MeJP NA NA +MJ047410 Parvisoflavone A; 4''-Hydroxy C20H16O7 368.089602 NA MeJP NA NA +MJ047411 Preussomerin A; 2',3'-Dihydro C20H16O7 368.089602 NA MeJP NA NA +MJ047412 Velloquercetin C20H16O7 368.089602 NA MeJP NA NA +MJ047413 Versicolorone C20H16O7 368.089602 NA MeJP NA NA +MJ047414 Ketazolam C20H17ClN2O3 368.09277 NA MeJP NA NA +MetaCyc03222 7-hydroxy-2-oxindole-3-aceate glucoside [7-hydroxy-2-indolinone-3-acetic acid-7'-o-glucoside;7-(o-β-glucopyranosyl)-2-oxindole-3-acetic acid;] C16H18N1O9 368.098156 NA metacyc NA NA +C01314 (S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]- C16H20N2O6S 368.1042 NA KEGG NA NA +C16517 Indolylmethyl-desulfoglucosinolate C16H20N2O6S 368.1042 NA KEGG NA NA +MetaCyc03223 indolylmethyl-desulfoglucosinolate [] C16H20N2O6S1 368.104207 NA metacyc NA NA +MJ047415 Radermachol C24H16O4 368.104859 NA MeJP NA NA +C02572 O-Feruloylquinate C17H20O9 368.1107 NA KEGG NA NA +MJ047416 3-O-Caffeoylquinic acid, 3'-Me ether C17H20O9 368.110732 NA MeJP NA NA +MJ047417 4,7-Dihydroxy-5-methyl-2H-1-benzopyran-2-one; 4-Me ether, 7-O-?-D-glucopyranoside C17H20O9 368.110732 NA MeJP NA NA +MJ047418 4-O-Caffeoylquinic acid; Me ester C17H20O9 368.110732 NA MeJP NA NA +MJ047419 5,7-Dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 7-O-?-D-Glucopyranoside C17H20O9 368.110732 NA MeJP NA NA +MJ047420 5-O-Caffeoylquinic acid, Me ester C17H20O9 368.110732 NA MeJP NA NA +MJ047421 6-(3,4-Dihydroxyphenyl)-5,6-dihydro-2H-pyran-2-one, 4'-O-?-D-Glucopyranoside C17H20O9 368.110732 NA MeJP NA NA +MJ047422 6-Hydroxy-5-benzofuranpropanoic acid; O-?-D-Glucopyranoside C17H20O9 368.110732 NA MeJP NA NA +MJ047423 Bishopantholide; 2?,3?-Epoxide C17H20O9 368.110732 NA MeJP NA NA +MJ047424 Neoliacinolide C C17H20O9 368.110732 NA MeJP NA NA +MetaCyc03224 O-Feruloylquinate [] C17H20O9 368.110732 NA metacyc NA NA +MJ047425 Phenacizol C18H16N4O5 368.112069 NA MeJP NA NA +MetaCyc03225 trans-3-hydroxycotinine-glucuronide [] C16H20N2O8 368.121966 NA metacyc NA NA +HMDB01204 trans-3-Hydroxycotinine glucuronide C16H20N2O8 368.121979 NA HMDB2010 NA NA +HMDB01204 trans-3-Hydroxycotinine glucuronide C16H20N2O8 368.12198 http://www.hmdb.ca/metabolites/HMDB01204 HMDB NA NA +HMDB01204 trans-3-Hydroxycotinine glucuronide C16H20N2O8 368.12198 HMDB01204 PFEM_hmdb_metabocards_official NA NA +MJ047426 1-Deaza-2-chloro-N6-cyclopentyladenosine C16H21ClN4O4 368.125132 NA MeJP NA NA +JH226 Curcumin [M+H]+ C21H20O6 368.1254 21.48 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH226 Curcumin [M+H]+ C21H20O6 368.1254 21.48 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH226 Curcumin [M+H]+ C21H20O6 368.1254 21.48 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH226 Curcumin [M+H]+ C21H20O6 368.1254 21.48 Inhousejuil11 NA NA +HMDB02269 Curcumin C21H20O6 368.125977 NA HMDB2010 NA NA +HMDB02269 Curcumin C21H20O6 368.12598 http://www.hmdb.ca/metabolites/HMDB02269 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02269 Curcumin C21H20O6 368.12598 http://www.hmdb.ca/metabolites/HMDB02269 HMDB NA NA +FL1CE9NI0001 3'-Angeloyloxy-2',4'-dihydroxy-6'-methoxychalcone C21H20O6 368.12598 116988-10-4 knapsack NA NA +FL2FAANP0015 (2S)-4',5-Dihydroxy-8-hydroxymethyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone C21H20O6 368.12598 466689-44-1 knapsack NA NA +FL2FADNP0003 Abyssinin I;Abyssinoflavanone I;(2S)-5,7-Dihydroxy-3'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',5']flavanone C21H20O6 368.12598 183990-13-8 knapsack NA NA +FL2FAENP0001 (2S)-5,3'-Dihydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone C21H20O6 368.12598 417705-70-5 knapsack NA NA +FL3FADNI0002 Cannflavin B;6-Prenylchrysoeriol;Canniflavone;Canniflavone 1;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C21H20O6 368.12598 76735-58-5 knapsack NA NA +FL3FADNP0002 Ciliatin B;3,4-Dihydro-5-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-one C21H20O6 368.12598 539826-42-1 knapsack NA NA +FL3FALNI0008 Integrin C21H20O6 368.12598 60791-49-3 knapsack NA NA +FL3FBANI0001 4'-Hydroxy-5-methoxy-7-(3-methyl-2,3-epoxybutoxy)flavone C21H20O6 368.12598 94390-12-2 knapsack NA NA +FL3FEANS0011 5-Allyloxysalvigenin C21H20O6 368.12598 87200-85-9 knapsack NA NA +FL3FRNNR0007 Cyclointegrin;7,8-Dihydro-3,10-dihydroxy-12-methoxy-6,6-dimethyl-6H,9H-[1]benzopyrano[3,2-e][1]benzoxocin-9-one C21H20O6 368.12598 60791-48-2 knapsack NA NA +FL5FABNI0001 3,5,7-Trihydroxy-4'-methoxy-8-(1,1-dimethylprop-2-en-1-yl)flavone C21H20O6 368.12598 128508-12-3 knapsack NA NA +FL5FBANI0001 Sophoflavescenol;3,7-Dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C21H20O6 368.12598 216450-65-6 knapsack NA NA +FL5FCANI0001 Isoanhydroicaritin C21H20O6 368.12598 28610-30-2 knapsack NA NA +FL5FDANF0004 Ugonin C;(-)-8,9-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one C21H20O6 368.12598 50868-48-9 knapsack NA NA +FL5FDANI0001 5,7-Dihydroxy-3-methoxy-4'-prenyloxyflavone C21H20O6 368.12598 145631-54-5 knapsack NA NA +FL5FDANI0002 Topazolin;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C21H20O6 368.12598 109605-79-0 knapsack NA NA +FLIA1LNI0004 Kwakhurin;7,4',6'-Trihydroxy-3'-methoxy-2'-prenylisoflavone C21H20O6 368.12598 111922-23-7 knapsack NA NA +FLIAADNI0001 2'-Deoxypiscerythrone;5,7,4'-Trihydroxy-3'-methoxy-5'-prenylisoflavone C21H20O6 368.12598 95261-30-6 knapsack NA NA +FLIAADNI0002 5,7,4'-Trihydroxy-3'-methoxy-8-prenylisoflavone C21H20O6 368.12598 120727-35-7 knapsack NA NA +FLIAAENI0002 Gancaonin B;5,7,3'-Trihydroxy-4'-methoxy-6-prenylisoflavone C21H20O6 368.12598 124596-86-7 knapsack NA NA +FLIAALNI0012 Gancaonin N;5,7,2'-Trihydroxy-4'-methoxy-6-prenylisoflavone C21H20O6 368.12598 129145-52-4 knapsack NA NA +FLIAALNI0013 Barpisoflavone B;7,2',4'-Trihydroxy-5-methoxy-8-prenylisoflavone C21H20O6 368.12598 104703-88-0 knapsack NA NA +FLIABCNI0001 Glisoflavone;7,3',4'-Trihydroxy-5-methoxy-5'-prenylisoflavone C21H20O6 368.12598 125709-32-2 knapsack NA NA +FLIAEANI0001 Isoaurmillone;5,7-Dihydroxy-6-methoxy-4'-prenyloxyisoflavone C21H20O6 368.12598 87457-87-2 knapsack NA NA +FLIAFANI0001 Aurmillone;5,7-Dihydroxy-8-methoxy-4'-prenyloxyisoflavone C21H20O6 368.12598 68415-32-7 knapsack NA NA +FLIBALNP0003 Isosophoronol C21H20O6 368.12598 64280-19-9 knapsack NA NA +FLIBBCNP0001 Glycyrrhisoflavanone C21H20O6 368.12598 116709-69-4 knapsack NA NA +FLIC2LNP0001 Leiocinol C21H20O6 368.12598 66446-89-7 knapsack NA NA +FLID1CNP0004 Neorautanol C21H20O6 368.12598 76165-13-4 knapsack NA NA +FLIDHXNF0006 9-O-Methylglyceofuran C21H20O6 368.12598 78876-29-6 knapsack NA NA +FLIHALNI0002 Glycycoumarin C21H20O6 368.12598 94805-82-0 knapsack NA NA +FLIHALNI0003 Licoarylcoumarin C21H20O6 368.12598 125709-31-1 knapsack NA NA +FLIHALNP0001 Isoglycycoumarin C21H20O6 368.12598 117038-82-1 knapsack NA NA +HMDB02269 Curcumin C21H20O6 368.12598 http://www.hmdb.ca/metabolites/HMDB02269 PFEM_hmdb_metabocards_blood NA blood +HMDB02269 Curcumin C21H20O6 368.12598 HMDB02269 PFEM_hmdb_metabocards_official NA NA +MJ047427 1,3,6,8-Tetrahydroxy-2-(3-methyl-2-butenyl)anthraquinone; 6,8-Di-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047428 1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(2?-Methoxy-3-methyl-3-butenyl) C21H20O6 368.125988 NA MeJP NA NA +MJ047429 1-(3,4-Dimethoxyphenyl)-2,3-bis(hydroxymethyl)-6,7-methylenedioxynaphthalene C21H20O6 368.125988 NA MeJP NA NA +MJ047430 17(15?16),18(4?3)-Bisabeo-12,16-epoxy-11-hydroxy-3,5,8,11,13-abietapentaen-7-one; 2-Oxo, 6-methoxy, 14-hydroxy, 15,16-didehydro C21H20O6 368.125988 NA MeJP NA NA +MJ047431 2',3',4',6'-Tetrahydroxychalcone; 6'-Me ether, 3'-angeloyl C21H20O6 368.125988 NA MeJP NA NA +MJ047432 2',4',5',7-Tetrahydroxy-3'-prenylisoflavone; 5'-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047433 2',4',5',7-Tetrahydroxy-6'-prenylisoflavone; 5'-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047434 2',4',5,7-Tetrahydroxy-3-prenylflavone; 7-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047435 2',4',5,7-Tetrahydroxy-6-prenylisoflavone; 4'-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047436 2',4',5,7-Tetrahydroxy-8-prenylflavone; 7-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047437 2',4',5,7-Tetrahydroxy-8-prenylisoflavone; 5-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047438 2',4',6',7-Tetrahydroxy-3'-prenylisoflavone; 2'-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047439 2,5,7-Trihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; 2-O-(4-Methoxyphenyl) C21H20O6 368.125988 NA MeJP NA NA +MJ047440 3',4',5,7-Tetrahydroxy-5'-prenylisoflavone; 3'-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047441 3',4',5,7-Tetrahydroxy-5'-prenylisoflavone; 4'-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047442 3',4',5,7-Tetrahydroxy-5'-prenylisoflavone; 5-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047443 3',4',5,7-Tetrahydroxy-6-prenylflavone; 3'-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047444 3',4',5,7-Tetrahydroxy-6-prenylisoflavone; 3'-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047445 3',4',5,7-Tetrahydroxy-6-prenylisoflavone; 4'-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047446 3',4',5,7-Tetrahydroxy-8-prenylisoflavone; 3'-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047447 3,4',5,7-Tetrahydroxy-6-prenylflavone; 3-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047448 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047449 3,4',5,7-Tetrahydroxy-8-prenylflavone; 5-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047450 3,4',5,7-Tetrahydroxy-8-prenylflavone; 7-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047451 3-(3,4-Dimethoxybenzylidene)-4,5-dihydro-4-(3,4-methylenedioxybenzyl)-2(3H)furanone C21H20O6 368.125988 NA MeJP NA NA +MJ047452 3-(5-Hydroxy-1,4-dioxo-5-prenyl-2-cyclohexen-2-yl)-7-methoxycoumarin C21H20O6 368.125988 NA MeJP NA NA +MJ047453 4',5,7,8-Tetrahydroxyisoflavone; 8-Me ether, 4'-O-(3-methyl-2-butenyl) C21H20O6 368.125988 NA MeJP NA NA +MJ047454 4',5,7-Trihydroxy-3-methoxyflavone; 4'-O-(3-Methyl-2-butenyl) C21H20O6 368.125988 NA MeJP NA NA +MJ047455 4',5,7-Trihydroxy-6-methoxyisoflavone; 4'-O-(3-Methyl-2-butenyl) C21H20O6 368.125988 NA MeJP NA NA +MJ047456 4',5,7-Trihydroxyflavone; 7-O-(2,3-Epoxy-3-methylbutyl), 5-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047457 4-(3,4-Dimethoxybenzyl)-4,5-dihydro-3-(3,4-methylenedioxybenzylidene)-2(3H)-furanone C21H20O6 368.125988 NA MeJP NA NA +MJ047458 4-[[3-(4,5-Dihydro-5,5-dimethyl-4-oxo-2-furanyl)butyl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one C21H20O6 368.125988 NA MeJP NA NA +MJ047459 5-Hydroxy-4',6,7-trimethoxyflavone; 5-O-(2-Propenyl) C21H20O6 368.125988 NA MeJP NA NA +MJ047460 8-(1,1-Dimethyl-2-propenyl)-3,4',5,7-tetrahydroxyflavone; 4'-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047461 Averythrin, 6-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047462 Cabenegrin A I C21H20O6 368.125988 NA MeJP NA NA +MJ047463 Curcumin C21H20O6 368.125988 NA MeJP NA NA +MJ047464 Cyclocurcumin C21H20O6 368.125988 NA MeJP NA NA +MJ047465 Cyclointegrin C21H20O6 368.125988 NA MeJP NA NA +MJ047466 Daunomycin; Aglycone, 6,11-dideoxy, 13-alcohol C21H20O6 368.125988 NA MeJP NA NA +MJ047467 Ebenfuran III C21H20O6 368.125988 NA MeJP NA NA +MJ047468 Egonol; Ac C21H20O6 368.125988 NA MeJP NA NA +MJ047469 Gancaonin W C21H20O6 368.125988 NA MeJP NA NA +MJ047470 Garvin B C21H20O6 368.125988 NA MeJP NA NA +MJ047471 Glyceofuran; 9-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047472 Glycyrin; 7-O-De-Me C21H20O6 368.125988 NA MeJP NA NA +MJ047473 Glycyrrhisoflavanone C21H20O6 368.125988 NA MeJP NA NA +MJ047474 Glycyrrhizaisoflavone C C21H20O6 368.125988 NA MeJP NA NA +MJ047475 Guayadequiene C21H20O6 368.125988 NA MeJP NA NA +MJ047476 Isoglycycoumarin C21H20O6 368.125988 NA MeJP NA NA +MJ047477 Isosophoronol C21H20O6 368.125988 NA MeJP NA NA +MJ047478 Leiocin, 6-Hydroxy C21H20O6 368.125988 NA MeJP NA NA +MJ047479 Licoarylcoumarin C21H20O6 368.125988 NA MeJP NA NA +MJ047480 Mollicellin D; 4-Aldehyde, dechloro C21H20O6 368.125988 NA MeJP NA NA +MJ047481 Mollicellin G C21H20O6 368.125988 NA MeJP NA NA +MJ047482 Morelensin C21H20O6 368.125988 NA MeJP NA NA +MJ047483 Mutactimycin A; De(glycosyloxy) C21H20O6 368.125988 NA MeJP NA NA +MJ047484 Neorautane; 2?-Hydroxy C21H20O6 368.125988 NA MeJP NA NA +MJ047485 Pabulenol, 2'-O-Angeloyl C21H20O6 368.125988 NA MeJP NA NA +MJ047486 Piloquinone; 4-Hydroxy C21H20O6 368.125988 NA MeJP NA NA +MJ047487 Polygamatin C21H20O6 368.125988 NA MeJP NA NA +MJ047488 Secundiflorol B; 5-Deoxy C21H20O6 368.125988 NA MeJP NA NA +MJ047489 Sigmoidin C, 8'-Me ether C21H20O6 368.125988 NA MeJP NA NA +MJ047490 Ugonin C C21H20O6 368.125988 NA MeJP NA NA +MJ047491 Vismiaquinone B C21H20O6 368.125988 NA MeJP NA NA +MetaCyc03226 7-O-methylluteone [3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one;] C21H20O6 368.125988 NA metacyc NA NA +C07290 7-O-Methylluteone C21H20O6 368.126 NA KEGG NA NA +C07291 Dihydrofurano derivative C21H20O6 368.126 NA KEGG NA NA +C07292 Glutaredoxin C21H20O6 368.126 NA KEGG NA NA +C07293 Glutaredoxin disulfide C21H20O6 368.126 NA KEGG NA NA +C10443 Curcumin C21H20O6 368.126 NA KEGG NA NA +C10551 5'-Demethoxydeoxypodophyllotoxin C21H20O6 368.126 NA KEGG NA NA +C11580 8-(1,1-DMA)kaempferide C21H20O6 368.126 NA KEGG NA NA +MJ047492 Iclazepam C21H21ClN2O2 368.129155 NA MeJP NA NA +MJ047493 N-[2-Chloro-2-phenyl-1-(1-piperidinylcarbonyl)ethenyl]benzamide C21H21ClN2O2 368.129155 NA MeJP NA NA +MJ047494 8,11,13-Abietatrien-18-oic acid; 12,14-Dichloro C20H26Cl2O2 368.130985 NA MeJP NA NA +MJ047495 3-O-?-L-Rhamnopyranosyl-D-galactose; 2-Ac C14H24O11 368.131861 NA MeJP NA NA +MJ047496 3-O-?-L-Rhamnopyranosyl-D-galactose; 6-Ac C14H24O11 368.131861 NA MeJP NA NA +MJ047497 18-Bromo-5,17-octadecadien-15-ynoic acid, Me ester C19H29BrO2 368.135092 NA MeJP NA NA +MJ047498 18-Bromo-5,17-octadecadien-7-ynoic acid, Me ester C19H29BrO2 368.135092 NA MeJP NA NA +MJ047499 Aquiledine C20H20N2O5 368.137221 NA MeJP NA NA +MJ047500 Isoaquiledine C20H20N2O5 368.137221 NA MeJP NA NA +C11796 U 50488 C19H26Cl2N2O 368.1422 NA KEGG NA NA +MJ047501 3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzeneacetamide C19H26Cl2N2O 368.142218 NA MeJP NA NA +MJ047502 Drosopterin C15H16N10O2 368.145769 NA MeJP NA NA +MJ047503 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 13-Me ether, 8-Ac C18H24O8 368.147117 NA MeJP NA NA +MJ047504 2-Phenylethanol; O-(2,6-Di-O-acetyl-?-D-glucopyranoside) C18H24O8 368.147117 NA MeJP NA NA +MJ047505 5,8-Dihydro-2,7-dimethyl-1,4-naphthalenediol; 1''-Hydroxy, 1-O-?-D-glucopyranoside C18H24O8 368.147117 NA MeJP NA NA +MJ047506 9-Hydroxy-10-undecene-5,7-diynoic acid, O-?-D-Glucopyranoside, Me ester C18H24O8 368.147117 NA MeJP NA NA +MJ047507 Hyptolide C18H24O8 368.147117 NA MeJP NA NA +MJ047508 Macrosphelide H C18H24O8 368.147117 NA MeJP NA NA +MJ047509 Synargentolide A C18H24O8 368.147117 NA MeJP NA NA +3280 NA ACDCRGDCFCG 368.1509 MH2+ Inhouse_peptide NA peptide +MJ047510 Fludoxopone C21H21FN2O3 368.15362 NA MeJP NA NA +FL1CDANI0001 4'-O-Methylxanthohumol C22H24O5 368.16237 123316-63-2 knapsack NA NA +FL2FA9NI0017 Quercetol C C22H24O5 368.16237 119061-08-4 knapsack NA NA +FL2FA9NI0018 Epoxycandidone C22H24O5 368.16237 109770-91-4 knapsack NA NA +FL2FCBNI0001 Flowerine;5-Hydroxy-7,4'-dimethoxy-8-prenylflavanone C22H24O5 368.16237 70872-28-5 knapsack NA NA +FL2FQUNR0001 Louisfieserone A C22H24O5 368.16237 66641-50-7 knapsack NA NA +FL2FQUNR0002 Louisfieserone B C22H24O5 368.16237 75801-77--3 knapsack NA NA +FLIC1LNP0008 Sphaerosinin;Spherosinin C22H24O5 368.16237 56495-96-6 knapsack NA NA +FLIDBBNI0001 Edulenol;3-Hydroxy-1,9-dimethoxy-2-prenylpterocarpan C22H24O5 368.16237 37706-55-1 knapsack NA NA +FLIDBBNP0002 Edulane C22H24O5 368.16237 37706-59-5 knapsack NA NA +MJ047511 1,3,9-Trihydroxy-2-prenylpterocarpan; 1,3-Di-Me ether C22H24O5 368.162373 NA MeJP NA NA +MJ047512 1,3,9-Trihydroxy-2-prenylpterocarpan; 1,9-Di-Me ether C22H24O5 368.162373 NA MeJP NA NA +MJ047513 2',4,4',6'-Tetrahydroxy-3'-prenylchalcone; 4',6'-Di-Me ether C22H24O5 368.162373 NA MeJP NA NA +MJ047514 4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; 4-O-(3,7-Dimethyl-2,6-octadienyl), 4-Me ether C22H24O5 368.162373 NA MeJP NA NA +MJ047515 4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; 9-O-(3,7-Dimethyl-2,6-octadienyl), 4-Me ether C22H24O5 368.162373 NA MeJP NA NA +MJ047516 5,7-Dihydroxy-8-prenylflavanone, 5,7-Di-Me ether, 2'',3''-epoxide C22H24O5 368.162373 NA MeJP NA NA +MJ047517 Garugamblin 1; 3-Methoxy C22H24O5 368.162373 NA MeJP NA NA +MJ047518 Garuganin 1 C22H24O5 368.162373 NA MeJP NA NA +MJ047519 Garuganin II C22H24O5 368.162373 NA MeJP NA NA +MJ047520 Garveatin C C22H24O5 368.162373 NA MeJP NA NA +MJ047521 Glyasperin H C22H24O5 368.162373 NA MeJP NA NA +MJ047522 Louisfieserone C22H24O5 368.162373 NA MeJP NA NA +MJ047523 Neorautenol; 13-Methoxy, Me ether, 1,2-dihydro C22H24O5 368.162373 NA MeJP NA NA +MJ047524 Pseudocalanolide C; 6- or 7-Epimer, 8-ketone C22H24O5 368.162373 NA MeJP NA NA +MJ047525 Pseudocalanolide C; 8-Ketone C22H24O5 368.162373 NA MeJP NA NA +MJ047526 Quercetol C C22H24O5 368.162373 NA MeJP NA NA +MJ047527 Spherosinin C22H24O5 368.162373 NA MeJP NA NA +MetaCyc03227 4'-O-methylxanthohumol [] C22H24O5 368.162374 NA metacyc NA NA +C15145 4,4-Bis[4-(acetyloxy)phenyl]3-hexanone C22H24O5 368.1624 NA KEGG NA NA +EUR519 Dehydroepiandrosterone sulphate F1 NA 368.163525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR519 Dehydroepiandrosterone sulphate F1 NA 368.163525 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR519 Dehydroepiandrosterone sulphate F1 NA 368.163525 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR519 Dehydroepiandrosterone sulphate F1 NA 368.163525 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR519 Dehydroepiandrosterone sulphate F1 NA 368.163525 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR519 Dehydroepiandrosterone sulphate F1 NA 368.163525 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR519 Dehydroepiandrosterone sulphate F1 NA 368.163525 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR519 Dehydroepiandrosterone sulphate F1 NA 368.163525 standards wishlist analysés sur QTOF HMDB NA NA +EUR519 Dehydroepiandrosterone sulphate F1 NA 368.163525 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR519 Dehydroepiandrosterone sulphate F1 NA 368.163525 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR519 Dehydroepiandrosterone sulphate F1 NA 368.163525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR519 Dehydroepiandrosterone sulphate F1 NA 368.163525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ047528 4-[4-(4-Fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1H-imidazol-1-yl]cyclohexanol C20H21FN4O2 368.164854 NA MeJP NA NA +EUR102 DehydroepiandrosteroneSulfate C19H28O5S 368.1657 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR102 DehydroepiandrosteroneSulfate C19H28O5S 368.1657 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR102 DehydroepiandrosteroneSulfate C19H28O5S 368.1657 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR102 DehydroepiandrosteroneSulfate C19H28O5S 368.1657 Wishlist Inhousejuil11 NA NA +C04555 Dehydroepiandrosterone sulfate C19H28O5S 368.1657 NA KEGG NA NA +HMDB01032 DHEA sulfate C19H28O5S 368.16574 http://www.hmdb.ca/metabolites/HMDB01032 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01032 DHEA sulfate C19H28O5S 368.16574 http://www.hmdb.ca/metabolites/HMDB01032 HMDB NA NA +HMDB02833 Testosterone sulfate C19H28O5S 368.16574 http://www.hmdb.ca/metabolites/HMDB02833 HMDB NA NA +HMDB01032 DHEA sulfate C19H28O5S 368.16574 http://www.hmdb.ca/metabolites/HMDB01032 PFEM_hmdb_metabocards_blood NA blood +HMDB01032 DHEA sulfate C19H28O5S 368.16574 HMDB01032 PFEM_hmdb_metabocards_official NA NA +HMDB02833 Testosterone sulfate C19H28O5S 368.16574 HMDB02833 PFEM_hmdb_metabocards_official NA NA +HMDB01032 DHEA sulfate C19H28O5S 368.165741 NA HMDB2010 NA NA +HMDB02833 Testosterone sulfate C19H28O5S 368.165741 NA HMDB2010 NA NA +HMDB13230 Epitestosterone sulfate C19H28O5S 368.165741 NA HMDB2010 NA NA +MJ047529 3-Hydroxyandrost-5-en-17-one, 3-Sulfate C19H28O5S 368.165744 NA MeJP NA NA +MJ047530 3beta-Hydroxyandrost-5-en-17-one 3-sulfate C19H28O5S 368.165744 NA MeJP NA NA +MetaCyc03228 dehydro-epiandrosterone-sulfate [dehydroepiandrosterone-sulfate;dehydroisoandrosterone sulfate;DHEA sulfate;] C19H28O5S1 368.165745 651-48-9 metacyc NA NA +EUR102 DehydroepiandrosteroneSulfate C19H28O5S 368.165747 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR102 DehydroepiandrosteroneSulfate C19H28O5S 368.165747 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR102 DehydroepiandrosteroneSulfate C19H28O5S 368.165747 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR102 DehydroepiandrosteroneSulfate C19H28O5S 368.165747 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR102 DehydroepiandrosteroneSulfate C19H28O5S 368.165747 Wishlist HMDB NA NA +EUR102 DehydroepiandrosteroneSulfate C19H28O5S 368.165747 Wishlist Inhouse_PFEM NA NA +EUR102 DehydroepiandrosteroneSulfate C19H28O5S 368.165747 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR102 DehydroepiandrosteroneSulfate C19H28O5S 368.165747 Wishlist PFEM_hmdb_metabocards_official NA NA +CJneg0565 Testosterone sulfate [(M-H)]- C19H27O5S 368.166325 C18rt(min)=8.65 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0566 Dehydroisoandrosterone sulfate [(M-H)]- C19H27O5S 368.166325 C18rt(min)=8.28 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0565 Testosterone sulfate [(M-H)]- C19H27O5S 368.166325 C18rt(min)=8.65 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0566 Dehydroisoandrosterone sulfate [(M-H)]- C19H27O5S 368.166325 C18rt(min)=8.28 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ047531 2-Butanol, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C15H28O10 368.168247 NA MeJP NA NA +MJ047532 1,1'-(2,5-Dihydroxy-1,4-cyclohexanediyl)bis[3-methyl-2,5-piperazinedione] C16H24N4O6 368.169584 NA MeJP NA NA +MJ047533 3-Bromo-7,14-labdadien-13-ol, ?8(17)-Isomer C20H33BrO 368.171478 NA MeJP NA NA +MJ047534 3-Bromo-7,14-labdadien-13-ol C20H33BrO 368.171478 NA MeJP NA NA +MJ047535 Barekoxide; 3?-Bromo C20H33BrO 368.171478 NA MeJP NA NA +MJ047536 Bromocorodienol C20H33BrO 368.171478 NA MeJP NA NA +MJ047537 Prepinnaterpene C20H33BrO 368.171478 NA MeJP NA NA +MJ047538 Secoisoaplysin 20 C20H33BrO 368.171478 NA MeJP NA NA +C03309 Strictosidine aglycone C21H24N2O4 368.1736 NA KEGG NA NA +C03310 Supercoiled plasma DNA C21H24N2O4 368.1736 NA KEGG NA NA +C09045 Baloxine C21H24N2O4 368.1736 NA KEGG NA NA +C09227 Mitraphylline C21H24N2O4 368.1736 NA KEGG NA NA +C11677 Horhammericine C21H24N2O4 368.1736 NA KEGG NA NA +C11678 Dialdehyde C21H24N2O4 368.1736 NA KEGG NA NA +C17593 Uncarine A C21H24N2O4 368.1736 NA KEGG NA NA +C17594 Uncarine B C21H24N2O4 368.1736 NA KEGG NA NA +C17595 Uncarine C C21H24N2O4 368.1736 NA KEGG NA NA +C17596 Uncarine D C21H24N2O4 368.1736 NA KEGG NA NA +C17597 Uncarine E C21H24N2O4 368.1736 NA KEGG NA NA +C17598 Uncarine F C21H24N2O4 368.1736 NA KEGG NA NA +MJ047539 14,15-Seco-3-oxokopsinal C21H24N2O4 368.173607 NA MeJP NA NA +MJ047540 16,17-Dihydro-17-hydroxy-19-epicathenamine C21H24N2O4 368.173607 NA MeJP NA NA +MJ047541 Ajmalicine hydroxyindolenine C21H24N2O4 368.173607 NA MeJP NA NA +MJ047542 Akuammicine, 11-Methoxy, 19,20?-epoxy C21H24N2O4 368.173607 NA MeJP NA NA +MJ047543 Akuammicine, 11-Methoxy, Nb-oxide C21H24N2O4 368.173607 NA MeJP NA NA +MJ047544 Akuammicine, 12-Methoxy, 19?,20?-epoxide C21H24N2O4 368.173607 NA MeJP NA NA +MJ047545 Akuammigine, (4R)-N-Oxide C21H24N2O4 368.173607 NA MeJP NA NA +MJ047546 Akuammigine, (4S)-N-Oxide C21H24N2O4 368.173607 NA MeJP NA NA +MJ047547 Akuammiline; 10-Hydroxy, O-de-Ac C21H24N2O4 368.173607 NA MeJP NA NA +MJ047548 Akuammiline; O-De-Ac, 16-epimer, N4-oxide C21H24N2O4 368.173607 NA MeJP NA NA +MJ047549 Alstonisine C21H24N2O4 368.173607 NA MeJP NA NA +MJ047550 Apogeissoschizine; 2,7-Dihydro, 2?,7?-dihydroxy C21H24N2O4 368.173607 NA MeJP NA NA +MJ047551 Aspidoalbidine; N-Ac, 12-hydroxy, 18-oxo C21H24N2O4 368.173607 NA MeJP NA NA +MJ047552 Baloxine C21H24N2O4 368.173607 NA MeJP NA NA +MJ047553 Caracurine VII; 3?-Hydroxy, Na-Ac C21H24N2O4 368.173607 NA MeJP NA NA +MJ047554 Caracurine VII; Na-Ac, Nb-oxide C21H24N2O4 368.173607 NA MeJP NA NA +MJ047555 Cathaphylline C21H24N2O4 368.173607 NA MeJP NA NA +MJ047556 Cathenamine; 16,17-Dihydro, 17-hydroxy C21H24N2O4 368.173607 NA MeJP NA NA +MJ047557 Cathovalinine C21H24N2O4 368.173607 NA MeJP NA NA +MJ047558 Chelonin A C21H24N2O4 368.173607 NA MeJP NA NA +MJ047559 Coronaridine, 6-Oxo, 5-hydroxy C21H24N2O4 368.173607 NA MeJP NA NA +MJ047560 Corymine; N-De-Me C21H24N2O4 368.173607 NA MeJP NA NA +MJ047561 Cyclarbamate C21H24N2O4 368.173607 NA MeJP NA NA +MJ047562 Dichotamine C21H24N2O4 368.173607 NA MeJP NA NA +MJ047563 Eburnaphylline C21H24N2O4 368.173607 NA MeJP NA NA +MJ047564 Echitamidine, Na-Formyl C21H24N2O4 368.173607 NA MeJP NA NA +MJ047565 Eglandine; 3-Ketone, 19-hydroxy C21H24N2O4 368.173607 NA MeJP NA NA +MJ047566 Epimisiline C21H24N2O4 368.173607 NA MeJP NA NA +MJ047567 Ervinidine C21H24N2O4 368.173607 NA MeJP NA NA +MJ047568 Hedrantherine C21H24N2O4 368.173607 NA MeJP NA NA +MJ047569 Henningsiine; 16-Hydroxy C21H24N2O4 368.173607 NA MeJP NA NA +MJ047570 Henningsiine; Nb-Oxide C21H24N2O4 368.173607 NA MeJP NA NA +MJ047571 Herbamine; N-De-Me C21H24N2O4 368.173607 NA MeJP NA NA +MJ047572 Heyneanine; 19-Epimer, 3-oxo C21H24N2O4 368.173607 NA MeJP NA NA +MJ047573 Hoerhammericine C21H24N2O4 368.173607 NA MeJP NA NA +MJ047574 Isocorymine; N4-De-Me C21H24N2O4 368.173607 NA MeJP NA NA +MJ047575 Kopsaporine; N-De(carbomethoxy) C21H24N2O4 368.173607 NA MeJP NA NA +MJ047576 Kopsinine; 3-Oxo, hydroxy C21H24N2O4 368.173607 NA MeJP NA NA +MJ047577 Lanceomigine; N-De-Me C21H24N2O4 368.173607 NA MeJP NA NA +MJ047578 Mitraphylline C21H24N2O4 368.173607 NA MeJP NA NA +MJ047579 Perivine; N4-Me, N4-oxide C21H24N2O4 368.173607 NA MeJP NA NA +MJ047580 Petchicine C21H24N2O4 368.173607 NA MeJP NA NA +MJ047581 Picraline; O-De-Ac C21H24N2O4 368.173607 NA MeJP NA NA +MJ047582 Rauniticine oxindole A C21H24N2O4 368.173607 NA MeJP NA NA +MJ047583 Rauniticine pseudoindoxyl C21H24N2O4 368.173607 NA MeJP NA NA +MJ047584 Rauniticine; 14?-Hydroxy C21H24N2O4 368.173607 NA MeJP NA NA +MJ047585 Tabernulosine; 12-Demethoxy C21H24N2O4 368.173607 NA MeJP NA NA +MJ047586 Tabersonine, 11,19R-Dihydroxy C21H24N2O4 368.173607 NA MeJP NA NA +MJ047587 Tabersonine, 11-Hydroxy, 1?,2-epoxide C21H24N2O4 368.173607 NA MeJP NA NA +MJ047588 Talbotine C21H24N2O4 368.173607 NA MeJP NA NA +MJ047589 Tetrahydroalstonine; Nb-Oxide (R-) C21H24N2O4 368.173607 NA MeJP NA NA +MJ047590 Uncarine C21H24N2O4 368.173607 NA MeJP NA NA +MJ047591 Venalstonine; 19?-Hydroxy, 6?, 7?-epoxide C21H24N2O4 368.173607 NA MeJP NA NA +MJ047592 Vincaminine C21H24N2O4 368.173607 NA MeJP NA NA +MJ047593 Vincapusine C21H24N2O4 368.173607 NA MeJP NA NA +MJ047594 Vincaricine C21H24N2O4 368.173607 NA MeJP NA NA +MJ047595 Vincoline C21H24N2O4 368.173607 NA MeJP NA NA +MJ047596 Voacarpine C21H24N2O4 368.173607 NA MeJP NA NA +MetaCyc03229 strictosidine-aglycone [] C21H24N2O4 368.173607 NA metacyc NA NA +MJ047597 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Phosphate C19H29O5P 368.17526 NA MeJP NA NA +MJ047598 Arildone C20H29ClO4 368.175437 NA MeJP NA NA +8058 synthetic peptide RHG 368.18 antioxidative Inhouse_peptide NA peptide +PJ000592 VNH C15H24N6O5 368.1808 NA PeJP NA NA +MJ047599 1,4-Epoxy-1,3,8-trihydroxy-11(13)-germacren-12,6-olide, 8-(2-Methylpropanoyl) C19H28O7 368.183503 NA MeJP NA NA +MJ047600 3,10-Epoxy-1,3,8-trihydroxy-11(13)-germacren-12,6-olide, 8-(2-Methylpropanoyl) C19H28O7 368.183503 NA MeJP NA NA +MJ047601 3,5,7-Trihydroxy-p-menth-1-en-6-one, 3-(2-Methylpropanoyl), 5-(4-hydroxy-2-methyl-2-butenoyl) C19H28O7 368.183503 NA MeJP NA NA +MJ047602 Doliculol A; 7-Ac C19H28O7 368.183503 NA MeJP NA NA +MJ047603 Eurycomalactone; 2?-Alcohol, 3,4?-dihydro, 6?-hydroxy C19H28O7 368.183503 NA MeJP NA NA +MJ047604 Hymenoxon; 2?-Acetoxy, 4-Et ether C19H28O7 368.183503 NA MeJP NA NA +MJ047605 Longilactone; 2?-Alcohol, ?4(18)-isomer C19H28O7 368.183503 NA MeJP NA NA +MJ047606 Punctaporonin C C19H28O7 368.183503 NA MeJP NA NA +MJ047607 Fagarine III C22H26NO4 368.186183 NA MeJP NA NA +PJ000593 GHR C14H24N8O4 368.1921 NA PeJP NA NA +2772 protease HIV1 inhibitor LLEYSI 368.1945 MH2+ Inhouse_peptide NA peptide +2777 protease HIV 1 inhibitor LLEYSL 368.1945 MH2+ Inhouse_peptide NA peptide +MJ047608 Zolenzepine C19H24N6O2 368.196074 NA MeJP NA NA +FL64A9NI0002 Quercetol B C23H28O4 368.19875 119061-07-3 knapsack NA NA +FL6FHYNI0001 Tephrowatsin D C23H28O4 368.19875 97640-82-9 knapsack NA NA +MJ047609 1,11-Bis(3-furanyl)-4,8-dimethyl-3,6,8-undecatrien-2-ol; Ac C23H28O4 368.198759 NA MeJP NA NA +MJ047610 1,11-Di-3-furanyl-4,8-dimethyl-1,4,8-undecatrien-6-ol, Ac C23H28O4 368.198759 NA MeJP NA NA +MJ047611 1-(2,4-Dihydroxyphenyl)-3,7-dimethyl-8-(4-methyl-2-furanyl)-3-vinyl-6-octen-1-one C23H28O4 368.198759 NA MeJP NA NA +MJ047612 4',5,7-Trihydroxy-6-prenylflavan; Tri-Me ether C23H28O4 368.198759 NA MeJP NA NA +MJ047613 6-Hydroxy-3,8-daucadien-2-one, 6-O-(4-Methoxybenzoyl) C23H28O4 368.198759 NA MeJP NA NA +MJ047614 Cardiopetalolactone C23H28O4 368.198759 NA MeJP NA NA +MJ047615 Quercetol B C23H28O4 368.198759 NA MeJP NA NA +MJ047616 Tephrowatsin D C23H28O4 368.198759 NA MeJP NA NA +MJ047617 6,9-Epithio-11,15-dihydroxy-5,13-prostadienoic acid C20H32O4S 368.20213 NA MeJP NA NA +PJ000594 GPPV C17H28N4O5 368.206 NA PeJP NA NA +MJ047618 13-Hydroxylupanine; O-Benzoyl C22H28N2O3 368.209992 NA MeJP NA NA +MJ047619 3,4-Seco-3,14-dehydrocabucraline C22H28N2O3 368.209992 NA MeJP NA NA +MJ047620 Ajmaline; 17-Ac C22H28N2O3 368.209992 NA MeJP NA NA +MJ047621 Aspidoalbidine; 12-Hydroxy, N-propanoyl C22H28N2O3 368.209992 NA MeJP NA NA +MJ047622 Aspidofractinine, 11,12-Dimethoxy, N1-formyl C22H28N2O3 368.209992 NA MeJP NA NA +MJ047623 Canembine C22H28N2O3 368.209992 NA MeJP NA NA +MJ047624 Cathafoline; 10-Methoxy C22H28N2O3 368.209992 NA MeJP NA NA +MJ047625 Cathafoline; 11-Methoxy C22H28N2O3 368.209992 NA MeJP NA NA +MJ047626 Centpropazine C22H28N2O3 368.209992 NA MeJP NA NA +MJ047627 Coronaridine, 3R-Methoxy C22H28N2O3 368.209992 NA MeJP NA NA +MJ047628 Corynantheidine C22H28N2O3 368.209992 NA MeJP NA NA +MJ047629 Cylindrocarine, Demethoxy, N1-Ac C22H28N2O3 368.209992 NA MeJP NA NA +MJ047630 Dihydrocorynantheine C22H28N2O3 368.209992 NA MeJP NA NA +MJ047631 Ervinceine C22H28N2O3 368.209992 NA MeJP NA NA +MJ047632 Hirsutine C22H28N2O3 368.209992 NA MeJP NA NA +MJ047633 Isovoacangine C22H28N2O3 368.209992 NA MeJP NA NA +MJ047634 Limatine; 11-Methoxy C22H28N2O3 368.209992 NA MeJP NA NA +MJ047635 Malagashine C22H28N2O3 368.209992 NA MeJP NA NA +MJ047636 Modecainide C22H28N2O3 368.209992 NA MeJP NA NA +MJ047637 Mollenine A C22H28N2O3 368.209992 NA MeJP NA NA +MJ047638 Pentamorphone C22H28N2O3 368.209992 NA MeJP NA NA +MJ047639 Pericyclivine; 11-Methoxy-19,20-dihydro, N1-Me C22H28N2O3 368.209992 NA MeJP NA NA +MJ047640 Pleiocarpinine; N-Oxide C22H28N2O3 368.209992 NA MeJP NA NA +MJ047641 Retuline; 16-Epimer, 11-methoxy C22H28N2O3 368.209992 NA MeJP NA NA +MJ047642 Strychnofendlerine C22H28N2O3 368.209992 NA MeJP NA NA +MJ047643 Strychnospermine C22H28N2O3 368.209992 NA MeJP NA NA +MJ047644 Strychnosplendine; N1-Ac, Me ether C22H28N2O3 368.209992 NA MeJP NA NA +MJ047645 Tortuosamine, N-Ac C22H28N2O3 368.209992 NA MeJP NA NA +MJ047646 Vincorine C22H28N2O3 368.209992 NA MeJP NA NA +MJ047647 Voacangine C22H28N2O3 368.209992 NA MeJP NA NA +MJ047648 Yohimbine, Me ether C22H28N2O3 368.209992 NA MeJP NA NA +MJ047649 Cathafoline; 19?,20?-Epoxide, N4-Me C22H29N2O3(+) 368.209992 NA MeJP NA NA +MJ047650 Diploceline C22H29N2O3(+) 368.209992 NA MeJP NA NA +C15985 17-O-Acetylajmaline C22H28N2O3 368.21 NA KEGG NA NA +C16953 Dihydrocorynantheine C22H28N2O3 368.21 NA KEGG NA NA +C16972 Hirsutine C22H28N2O3 368.21 NA KEGG NA NA +MJ047651 Hamiltonin B C21H33ClO3 368.211822 NA MeJP NA NA +PJ000595 PPR C16H28N6O4 368.2172 NA PeJP NA NA +HMDB01908 19-Hydroxy-PGE2 C20H32O6 368.219879 NA HMDB2010 NA NA +HMDB01979 6,15-Diketo,13,14-dihydro-PGF1a C20H32O6 368.219879 NA HMDB2010 NA NA +HMDB03235 Prostaglandin G2 C20H32O6 368.219879 NA HMDB2010 NA NA +HMDB03247 20-Hydroxy-PGE2 C20H32O6 368.219879 NA HMDB2010 NA NA +HMDB04241 6-Ketoprostaglandin E1 C20H32O6 368.219879 NA HMDB2010 NA NA +HMDB04242 11-Dehydro-thromboxane B2 C20H32O6 368.219879 NA HMDB2010 NA NA +HMDB05099 Thromboxane B3 C20H32O6 368.219879 NA HMDB2010 NA NA +HMDB12110 5(6)-Epoxy Prostaglandin E1 C20H32O6 368.219879 NA HMDB2010 NA NA +HMDB04242 11-Dehydro-thromboxane B2 C20H32O6 368.21988 http://www.hmdb.ca/metabolites/HMDB04242 PFEM_hmdb_metabocards_urine NA urine +HMDB04242 11-Dehydro-thromboxane B2 C20H32O6 368.21988 http://www.hmdb.ca/metabolites/HMDB04242 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04242 11-Dehydro-thromboxane B2 C20H32O6 368.21988 http://www.hmdb.ca/metabolites/HMDB04242 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04242 11-Dehydro-thromboxane B2 C20H32O6 368.21988 http://www.hmdb.ca/metabolites/HMDB04242 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01908 Eganoprost C20H32O6 368.21988 http://www.hmdb.ca/metabolites/HMDB01908 HMDB NA NA +HMDB01979 6,15-diketo,13,14-dihydro-PGF1alpha C20H32O6 368.21988 http://www.hmdb.ca/metabolites/HMDB01979 HMDB NA NA +HMDB03235 Prostaglandin G2 C20H32O6 368.21988 http://www.hmdb.ca/metabolites/HMDB03235 HMDB NA NA +HMDB03247 20-hydroxy-PGE2 C20H32O6 368.21988 http://www.hmdb.ca/metabolites/HMDB03247 HMDB NA NA +HMDB04241 6-Ketoprostaglandin E1 C20H32O6 368.21988 http://www.hmdb.ca/metabolites/HMDB04241 HMDB NA NA +HMDB04242 11-Dehydro-thromboxane B2 C20H32O6 368.21988 http://www.hmdb.ca/metabolites/HMDB04242 HMDB NA NA +HMDB05099 Thromboxane B3 C20H32O6 368.21988 http://www.hmdb.ca/metabolites/HMDB05099 HMDB NA NA +HMDB04242 11-Dehydro-thromboxane B2 C20H32O6 368.21988 http://www.hmdb.ca/metabolites/HMDB04242 PFEM_hmdb_metabocards_blood NA blood +HMDB01908 Eganoprost C20H32O6 368.21988 HMDB01908 PFEM_hmdb_metabocards_official NA NA +HMDB01979 6,15-diketo,13,14-dihydro-PGF1alpha C20H32O6 368.21988 HMDB01979 PFEM_hmdb_metabocards_official NA NA +HMDB03235 Prostaglandin G2 C20H32O6 368.21988 HMDB03235 PFEM_hmdb_metabocards_official NA NA +HMDB03247 20-hydroxy-PGE2 C20H32O6 368.21988 HMDB03247 PFEM_hmdb_metabocards_official NA NA +HMDB04241 6-Ketoprostaglandin E1 C20H32O6 368.21988 HMDB04241 PFEM_hmdb_metabocards_official NA NA +HMDB04242 11-Dehydro-thromboxane B2 C20H32O6 368.21988 HMDB04242 PFEM_hmdb_metabocards_official NA NA +HMDB05099 Thromboxane B3 C20H32O6 368.21988 HMDB05099 PFEM_hmdb_metabocards_official NA NA +MJ047652 1,10,17-Trihydroxymelfusanolide C20H32O6 368.219888 NA MeJP NA NA +MJ047653 10(20)-Grayanotoxene-3,5,6,11,14,16-hexol C20H32O6 368.219888 NA MeJP NA NA +MJ047654 10(20)-Grayanotoxene-3,5,6,12,14,16-hexol C20H32O6 368.219888 NA MeJP NA NA +MJ047655 10(20)-Grayanotoxene-3,5,6,7,14,16-hexol C20H32O6 368.219888 NA MeJP NA NA +MJ047656 11,15,16,17-Tetrahydroxy-19-kauranoic acid C20H32O6 368.219888 NA MeJP NA NA +MJ047657 11,15,19-Trihydroxy-9-oxoprosta-5,13-dienoic acid C20H32O6 368.219888 NA MeJP NA NA +MJ047658 13,16-Epoxy-7,12,14,15-tetrahydroxy-3-cleroden-6-one C20H32O6 368.219888 NA MeJP NA NA +MJ047659 14,18:10,19-Diepoxy-15,20-dihydroxy-2-phyten-1,20-olide C20H32O6 368.219888 NA MeJP NA NA +MJ047660 2,3-Epoxy-5,6,10,14,16-grayanotoxanepentol C20H32O6 368.219888 NA MeJP NA NA +MJ047661 2,3-Epoxy-5,6,7,10,16-grayanotoxanepentol C20H32O6 368.219888 NA MeJP NA NA +MJ047662 3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(2,3-Dihydroxy-2-methylbutanoyl) C20H32O6 368.219888 NA MeJP NA NA +MJ047663 3,5,6,10,14,16-Grayanotoxanehexol, 3-Ketone C20H32O6 368.219888 NA MeJP NA NA +MJ047664 4(20),11-Taxadiene-1,2,5,9,10,13-hexol C20H32O6 368.219888 NA MeJP NA NA +MJ047665 4,6,8,10-Tetrahydroxy-9-daucanone, 10-Angeloyl C20H32O6 368.219888 NA MeJP NA NA +MJ047666 5,15-Dihydroperoxy-6,8,11,13-eicosatetraenoic acid C20H32O6 368.219888 NA MeJP NA NA +MJ047667 6,7,16,17-Tetrahydroxy-19-kauranoic acid C20H32O6 368.219888 NA MeJP NA NA +MJ047668 6,9,15-Trihydroxy-1(10),11(13)-germacradien-12,8-olide, 11?,13-Dihydro, 6-(2-methylbutanoyl) C20H32O6 368.219888 NA MeJP NA NA +MJ047669 6-Oxoprostaglandin E1 C20H32O6 368.219888 NA MeJP NA NA +MJ047670 8,13-Epoxy-1,6,7,9-tetrahydroxy-14-labden-11-one C20H32O6 368.219888 NA MeJP NA NA +MJ047671 9,12,13,16,17-Pentahydroxy-11-kauranone C20H32O6 368.219888 NA MeJP NA NA +MJ047672 9,13:15,16-Diepoxy-6,15,19-trihydroxy-7-labdanone C20H32O6 368.219888 NA MeJP NA NA +MJ047673 Cinncassiol D1; 4?-Hydroxy C20H32O6 368.219888 NA MeJP NA NA +MJ047674 Cinncassiol D3 C20H32O6 368.219888 NA MeJP NA NA +MJ047675 Grayanol A C20H32O6 368.219888 NA MeJP NA NA +MJ047676 Kalmanol; 3-Ketone C20H32O6 368.219888 NA MeJP NA NA +MJ047677 Nardostachin C20H32O6 368.219888 NA MeJP NA NA +MJ047678 Picronolide C20H32O6 368.219888 NA MeJP NA NA +MJ047679 Portulal; 5?-Hydroxy, 19-carboxylic acid C20H32O6 368.219888 NA MeJP NA NA +MJ047680 Prostaglandin G2 C20H32O6 368.219888 NA MeJP NA NA +MJ047681 Thromboxane B2, 11-Ketone C20H32O6 368.219888 NA MeJP NA NA +MJ047682 Vignaticol C20H32O6 368.219888 NA MeJP NA NA +MJ047683 6-Keto-prostaglandin E1 C20H32O6 368.219888 NA MeJP NA NA +MJ047684 Prostaglandin G2 C20H32O6 368.219888 NA MeJP NA NA +EUR162 6-keto-Prostaglandin-E1(6-keto-PGE1) C20H32O6 368.21989 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR182 ProstaglandinG2(PGG2) C20H32O6 368.21989 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR186 11-dehydro-thromboxaneB2 C20H32O6 368.21989 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR162 6-keto-Prostaglandin-E1(6-keto-PGE1) C20H32O6 368.21989 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR182 ProstaglandinG2(PGG2) C20H32O6 368.21989 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR186 11-dehydro-thromboxaneB2 C20H32O6 368.21989 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR162 6-keto-Prostaglandin-E1(6-keto-PGE1) C20H32O6 368.21989 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR182 ProstaglandinG2(PGG2) C20H32O6 368.21989 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR186 11-dehydro-thromboxaneB2 C20H32O6 368.21989 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR162 6-keto-Prostaglandin-E1(6-keto-PGE1) C20H32O6 368.21989 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR182 ProstaglandinG2(PGG2) C20H32O6 368.21989 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR186 11-dehydro-thromboxaneB2 C20H32O6 368.21989 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR162 6-keto-Prostaglandin-E1(6-keto-PGE1) C20H32O6 368.21989 Wishlist HMDB NA NA +EUR182 ProstaglandinG2(PGG2) C20H32O6 368.21989 Wishlist HMDB NA NA +EUR186 11-dehydro-thromboxaneB2 C20H32O6 368.21989 Wishlist HMDB NA NA +EUR162 6-keto-Prostaglandin-E1(6-keto-PGE1) C20H32O6 368.21989 Wishlist Inhouse_PFEM NA NA +EUR182 ProstaglandinG2(PGG2) C20H32O6 368.21989 Wishlist Inhouse_PFEM NA NA +EUR186 11-dehydro-thromboxaneB2 C20H32O6 368.21989 Wishlist Inhouse_PFEM NA NA +EUR162 6-keto-Prostaglandin-E1(6-keto-PGE1) C20H32O6 368.21989 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR182 ProstaglandinG2(PGG2) C20H32O6 368.21989 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR186 11-dehydro-thromboxaneB2 C20H32O6 368.21989 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR162 6-keto-Prostaglandin-E1(6-keto-PGE1) C20H32O6 368.21989 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR182 ProstaglandinG2(PGG2) C20H32O6 368.21989 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR186 11-dehydro-thromboxaneB2 C20H32O6 368.21989 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR162 6-keto-Prostaglandin-E1(6-keto-PGE1) C20H32O6 368.2199 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR182 ProstaglandinG2(PGG2) C20H32O6 368.2199 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR186 11-dehydro-thromboxaneB2 C20H32O6 368.2199 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR162 6-keto-Prostaglandin-E1(6-keto-PGE1) C20H32O6 368.2199 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR182 ProstaglandinG2(PGG2) C20H32O6 368.2199 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR186 11-dehydro-thromboxaneB2 C20H32O6 368.2199 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR162 6-keto-Prostaglandin-E1(6-keto-PGE1) C20H32O6 368.2199 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR182 ProstaglandinG2(PGG2) C20H32O6 368.2199 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR186 11-dehydro-thromboxaneB2 C20H32O6 368.2199 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR162 6-keto-Prostaglandin-E1(6-keto-PGE1) C20H32O6 368.2199 Wishlist Inhousejuil11 NA NA +EUR182 ProstaglandinG2(PGG2) C20H32O6 368.2199 Wishlist Inhousejuil11 NA NA +EUR186 11-dehydro-thromboxaneB2 C20H32O6 368.2199 Wishlist Inhousejuil11 NA NA +C05956 Prostaglandin G2 C20H32O6 368.2199 NA KEGG NA NA +C05962 6-Keto-prostaglandin E1 C20H32O6 368.2199 NA KEGG NA NA +C05964 11-Dehydro-thromboxane B2 C20H32O6 368.2199 NA KEGG NA NA +C12202 Platenolide A C20H32O6 368.2199 NA KEGG NA NA +C17653 Cinncassiol D2 C20H32O6 368.2199 NA KEGG NA NA +C17655 Cinncassiol D3 C20H32O6 368.2199 NA KEGG NA NA +C07506 Propantheline C23H30NO3 368.2226 NA KEGG NA NA +C07507 Transferred to D00540 C23H30NO3 368.2226 NA KEGG NA NA +MJ047685 Annonidine A C26H28N2 368.225248 NA MeJP NA NA +MJ047686 Annonidine B C26H28N2 368.225248 NA MeJP NA NA +MJ047687 Annonidine C C26H28N2 368.225248 NA MeJP NA NA +MJ047688 Annonidine D C26H28N2 368.225248 NA MeJP NA NA +MJ047689 Cinnarizine C26H28N2 368.225248 NA MeJP NA NA +MJ047690 Isomonodoroindole C26H28N2 368.225248 NA MeJP NA NA +MJ047691 Monodoroindole C26H28N2 368.225248 NA MeJP NA NA +C07706 Perindopril C19H32N2O5 368.2311 NA KEGG NA NA +MJ047692 3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxo-4-imidazolidineheptanoic acid C19H32N2O5 368.231122 NA MeJP NA NA +MJ047693 Perindoprilat; 5'-Mono-Et ester C19H32N2O5 368.231122 NA MeJP NA NA +MJ047694 1(10),4-Germacradien-6-ol, 4-Hydroxycinnamoyl C24H32O3 368.235144 NA MeJP NA NA +MJ047695 1,4-Epoxy-6-eudesmanol, 6-Cinnamoyl C24H32O3 368.235144 NA MeJP NA NA +MJ047696 1-(2-Hydroxy-6-methylphenyl)-3,7,11-trimethyl-3-vinyl-6,10-dodecadiene-1,5-dione C24H32O3 368.235144 NA MeJP NA NA +MJ047697 2-(8-Cyclohexyloctyl)-3-hydroxy-1,4-naphthoquinone C24H32O3 368.235144 NA MeJP NA NA +MJ047698 3-Eudesmen-6-ol, 4-Hydroxycinnamoyl C24H32O3 368.235144 NA MeJP NA NA +MJ047699 3-Eudesmene-1,6-diol, 6-Cinnamoyl C24H32O3 368.235144 NA MeJP NA NA +MJ047700 3-Eudesmene-1,6-diol, 1-Cinnamoyl C24H32O3 368.235144 NA MeJP NA NA +MJ047701 3-Eudesmene-1,6-diol, 6-Cinnamoyl C24H32O3 368.235144 NA MeJP NA NA +MJ047702 3-Eudesmene-1,9-diol, 9-Cinnamoyl C24H32O3 368.235144 NA MeJP NA NA +MJ047703 3-Hydroxy-1,9,11-eremophilatrien-8-one, 3-(6-Methyl-2,4-octadienoyl) C24H32O3 368.235144 NA MeJP NA NA +MJ047704 4(15)-Eudesmen-6-ol, 4-Hydroxycinnamoyl C24H32O3 368.235144 NA MeJP NA NA +MJ047705 4(15)-Eudesmene-1,6-diol, 6-Cinnamoyl C24H32O3 368.235144 NA MeJP NA NA +MJ047706 4-Muurolene-7,15-diol, 15-O-(3-Phenyl-2E-propenoyl) C24H32O3 368.235144 NA MeJP NA NA +MJ047707 4-Muurolene-7,15-diol, 15-O-(3-Phenyl-2Z-propenoyl) C24H32O3 368.235144 NA MeJP NA NA +MJ047708 8-Daucene-4,6-diol, 6-Cinnamoyl (E-) C24H32O3 368.235144 NA MeJP NA NA +MJ047709 8-Daucene-5,10-diol, 10-Cinnamoyl(E-) C24H32O3 368.235144 NA MeJP NA NA +MJ047710 9-Eremophilene-1,6-diol, 6-Cinnamoyl C24H32O3 368.235144 NA MeJP NA NA +MJ047711 Antheliolide A C24H32O3 368.235144 NA MeJP NA NA +MJ047712 Kneglomerantanone B C24H32O3 368.235144 NA MeJP NA NA +MJ047713 1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine C23H32N2O2 368.246378 NA MeJP NA NA +MJ047714 Holadienine; N-De-Me, N-(N-methylcarbamoyl) C23H32N2O2 368.246378 NA MeJP NA NA +MJ047715 Limaspermine; 18-Deoxy, O12-Me C23H32N2O2 368.246378 NA MeJP NA NA +HMDB03180 Cortol C21H36O5 368.25626 http://www.hmdb.ca/metabolites/HMDB03180 HMDB NA NA +HMDB03180 Cortol C21H36O5 368.25626 HMDB03180 PFEM_hmdb_metabocards_official NA NA +MJ047716 1(10)-Spirovetiven-11-ol; ?-D-Fucopyranoside C21H36O5 368.256274 NA MeJP NA NA +MJ047717 10-Aromadendranol, O-?-D-Fucopyranoside C21H36O5 368.256274 NA MeJP NA NA +MJ047718 11,15-Dihydroxy-15-methyl-9-oxo-13-prostenoic acid C21H36O5 368.256274 NA MeJP NA NA +MJ047719 11,16-Dihydroxy-16-methyl-9-oxo-13-prostenoic acid C21H36O5 368.256274 NA MeJP NA NA +MJ047720 11,16-Dihydroxy-9-oxo-13-prostenoic acid, Me ester C21H36O5 368.256274 NA MeJP NA NA +MJ047721 11-Eudesmen-4-ol, 4-O-?-D-Fucopyranoside C21H36O5 368.256274 NA MeJP NA NA +MJ047722 2,10-Bisaboladien-7-ol, O-(6-Deoxy-?-D-altropyranoside) C21H36O5 368.256274 NA MeJP NA NA +MJ047723 2,10-Bisaboladien-7-ol, 7-O-?-D-Fucopyranoside C21H36O5 368.256274 NA MeJP NA NA +MJ047724 2-(7-Hexadecenyl)-3-methyl-2-butenedioic acid; 1''-Hydroxy C21H36O5 368.256274 NA MeJP NA NA +MJ047725 3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 3-Hexadecanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanone C21H36O5 368.256274 NA MeJP NA NA +MJ047726 3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-(10-methylpentadecanoyl)-2(5H)-furanone C21H36O5 368.256274 NA MeJP NA NA +MJ047727 3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-(11-methylpentadecanoyl)-2(5H)-furanone C21H36O5 368.256274 NA MeJP NA NA +MJ047728 3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-(7-methylpentadecanoyl)-2(5H)-furanone C21H36O5 368.256274 NA MeJP NA NA +MJ047729 3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-(8-methylpentadecanoyl)-2(5H)-furanone C21H36O5 368.256274 NA MeJP NA NA +MJ047730 3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-(9-methylpentadecanoyl)-2(5H)-furanone C21H36O5 368.256274 NA MeJP NA NA +MJ047731 4-Cubebanol, O-?-D-Fucopyranoside C21H36O5 368.256274 NA MeJP NA NA +MJ047732 4-Eudesmen-11-ol, O-?-D-Fucopyranoside C21H36O5 368.256274 NA MeJP NA NA +MJ047733 9,11,15-Trihydroxy-11-methylprosta-5,13-dienoic acid C21H36O5 368.256274 NA MeJP NA NA +MJ047734 9,11,15-Trihydroxy-12-methylprosta-5,13-dienoic acid C21H36O5 368.256274 NA MeJP NA NA +MJ047735 Betaenone B C21H36O5 368.256274 NA MeJP NA NA +MJ047736 Carboprost C21H36O5 368.256274 NA MeJP NA NA +MJ047737 Cortol C21H36O5 368.256274 NA MeJP NA NA +MJ047738 Isomuronic acid, 14'?-Alcohol C21H36O5 368.256274 NA MeJP NA NA +MJ047739 Murolic acid C21H36O5 368.256274 NA MeJP NA NA +MJ047740 Pregnane-3,11,17,20,21-pentol C21H36O5 368.256274 NA MeJP NA NA +MJ047741 Pregnane-3,12,14,17,20-pentol C21H36O5 368.256274 NA MeJP NA NA +MJ047742 Pretomexanthol C21H36O5 368.256274 NA MeJP NA NA +MJ047743 Cortol C21H36O5 368.256274 NA MeJP NA NA +MetaCyc03230 cortol [] C21H36O5 368.256274 516-38-1 metacyc NA NA +HMDB03180 Cortol C21H36O5 368.256287 NA HMDB2010 NA NA +HMDB05821 Beta-Cortol C21H36O5 368.256287 NA HMDB2010 NA NA +C05482 Cortol C21H36O5 368.2563 NA KEGG NA NA +C06872 Carboprost C21H36O5 368.2563 NA KEGG NA NA +C06873 Transferred to D00254 C21H36O5 368.2563 NA KEGG NA NA +MJ047744 Proterguride C22H32N4O 368.257611 NA MeJP NA NA +MJ047745 1,13-Tridecanediol; Di-Ph ether C25H36O2 368.27153 NA MeJP NA NA +MJ047746 12'-Apo-?-carotene-3,12'-diol C25H36O2 368.27153 NA MeJP NA NA +MJ047747 3,4-Dihydro-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol C25H36O2 368.27153 NA MeJP NA NA +MJ047748 5-(4,7,10,13,16-Nonadecapentaenyl)-1,3-benzenediol, 4',5'-Dihydro C25H36O2 368.27153 NA MeJP NA NA +MJ047749 Abridin C25H36O2 368.27153 NA MeJP NA NA +MJ047750 Cerorubenic acid III C25H36O2 368.27153 NA MeJP NA NA +MJ047751 Cerorubenol I; 20-Carboxylic acid C25H36O2 368.27153 NA MeJP NA NA +MJ047752 Cerorubenol I; ?11,23-Isomer, 20-carboxylic acid C25H36O2 368.27153 NA MeJP NA NA +MJ047753 Coscinafuran C25H36O2 368.27153 NA MeJP NA NA +MJ047754 Variecolin C25H36O2 368.27153 NA MeJP NA NA +MJ047755 N-Phenethyl-N'-2-trachyopsanylurea C24H36N2O 368.282763 NA MeJP NA NA +MJ047756 6-(2,4-Diethyl-1,5-octadienyl)-4,6-diethyl-1,2-dioxane-3-acetic acid, 5',6'-Dihydro C22H40O4 368.292659 NA MeJP NA NA +MJ047757 Surfomer C22H40O4 368.292659 NA MeJP NA NA +MJ047758 24-Norcholesta-4,22-dien-3-one C26H40O 368.307915 NA MeJP NA NA +MJ047759 24-Norcholesta-5,7,22-trien-3-ol C26H40O 368.307915 NA MeJP NA NA +MJ047760 2-Hydroxy-14-tricosenoic acid C23H44O3 368.329045 NA MeJP NA NA +MJ047761 22,29,30-Trinor-13(18)-neohopene C27H44 368.344301 NA MeJP NA NA +C08320 Tetracosanoic acid C24H48O2 368.3654 NA KEGG NA NA +HMDB02003 Tetracosanoic acid C24H48O2 368.365417 NA HMDB2010 NA NA +HMDB02003 Tetracosanoic acid C24H48O2 368.36542 http://www.hmdb.ca/metabolites/HMDB02003 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02003 Tetracosanoic acid C24H48O2 368.36542 http://www.hmdb.ca/metabolites/HMDB02003 HMDB NA NA +HMDB02003 Tetracosanoic acid C24H48O2 368.36542 http://www.hmdb.ca/metabolites/HMDB02003 PFEM_hmdb_metabocards_blood NA blood +HMDB02003 Tetracosanoic acid C24H48O2 368.36542 HMDB02003 PFEM_hmdb_metabocards_official NA NA +MJ047762 1-Docosanol; Ac C24H48O2 368.36543 NA MeJP NA NA +MJ047763 2,4-Dimethyldocosanoic acid C24H48O2 368.36543 NA MeJP NA NA +MJ047764 20-Tetracosene-1,18-diol C24H48O2 368.36543 NA MeJP NA NA +MJ047765 4,6-Tetracosanedione; 4-Alcohol C24H48O2 368.36543 NA MeJP NA NA +MJ047766 5,7-Tetracosanedione; 5-Alcohol C24H48O2 368.36543 NA MeJP NA NA +MJ047767 Tetracosanoic acid C24H48O2 368.36543 NA MeJP NA NA +MetaCyc03231 tetracosanoate [Lignoceric acid;Tetracosanoic acid;] C24H48O2 368.365431 NA metacyc NA NA +MJ047768 1-Pentacosanol C25H52O 368.401816 NA MeJP NA NA +MJ047769 10-Pentacosanol C25H52O 368.401816 NA MeJP NA NA +7754 soymorphin-6 YPFVVN 368.68095 MH2+ Inhouse_peptide NA peptide +7480 ACE inhibitor (fragment of as2-casein) FALPQY 368.681 MH2+ Inhouse_peptide NA peptide +MJ047770 3,5-Dibromo-2-hydroxybenzoic acid; Anilide C13H9Br2NO2 368.900003 NA MeJP NA NA +MJ047771 5-Bromo-N-(4-bromophenyl)-2-hydroxybenzamide C13H9Br2NO2 368.900003 NA MeJP NA NA +MJ047772 3,5-Dibromo-1-hydroxy-4,4-dimethoxy-2,5-cyclohexadiene-1-acetamide C10H13Br2NO4 368.921133 NA MeJP NA NA +MJ047773 Carmetizide C10H12ClN3O6S2 368.985604 NA MeJP NA NA +MJ047774 Eudistomin C C14H16BrN3O2S 369.01466 NA MeJP NA NA +C17167 Eudistomin C C14H16BrN3O2S 369.0147 NA KEGG NA NA +MJ047775 Pluracidomycin C2 C11H15NO9S2 369.018822 NA MeJP NA NA +MJ047776 7-Chloro-4-hydroxy-3-[3-(3-thienyloxy)phenyl]-2(1H)-quinolinone C19H12ClNO3S 369.022641 NA MeJP NA NA +C10933 Amidosulfuron C9H15N5O7S2 369.0413 NA KEGG NA NA +MJ047777 Sulfadiasulfone C14H15N3O5S2 369.045311 NA MeJP NA NA +MJ047778 ?-Amino-2'-chloro-5-(phosphonomethyl)[1,1'-biphenyl]-3-propanoic acid C16H17ClNO5P 369.053286 NA MeJP NA NA +HMDB05008 Lansoprazole C16H14F3N3O2S 369.07587 http://www.hmdb.ca/metabolites/HMDB05008 HMDB NA NA +HMDB05008 Lansoprazole C16H14F3N3O2S 369.07587 HMDB05008 PFEM_hmdb_metabocards_official NA NA +MJ047779 Lansoprazole C16H14F3N3O2S 369.075882 NA MeJP NA NA +HMDB05008 Lansoprazole C16H14F3N3O2S 369.075897 NA HMDB2010 NA NA +MJ047780 Tripamide C16H20ClN3O3S 369.091389 NA MeJP NA NA +MJ047781 Axinyssimide B C16H26Cl3NO2 369.102912 NA MeJP NA NA +MJ047782 Etofenamate C18H18F3NO4 369.118792 NA MeJP NA NA +C05190 6-Hydroxyprotopine C20H19NO6 369.1212 NA KEGG NA NA +C09393 Corpaine C20H19NO6 369.1212 NA KEGG NA NA +MJ047783 6-Hydroxyprotopine C20H19NO6 369.121237 NA MeJP NA NA +MJ047784 Actinodaphnine, N-Methoxycarbonyl C20H19NO6 369.121237 NA MeJP NA NA +MJ047785 Adlumine, O6-De-Me C20H19NO6 369.121237 NA MeJP NA NA +MJ047786 Adlumine, O7-De-Me C20H19NO6 369.121237 NA MeJP NA NA +MJ047787 Bitlisine C20H19NO6 369.121237 NA MeJP NA NA +MJ047788 Cantleyine; 8-(E-4-Hydroxycinnamoyloxy) C20H19NO6 369.121237 NA MeJP NA NA +MJ047789 Cantleyine; 8-(Z-4-Hydroxycinnamoyloxy) C20H19NO6 369.121237 NA MeJP NA NA +MJ047790 Chelamine C20H19NO6 369.121237 NA MeJP NA NA +MJ047791 Corlumine, O7-De-Me C20H19NO6 369.121237 NA MeJP NA NA +MJ047792 Corydalisol, 1''-Carboxylic acid C20H19NO6 369.121237 NA MeJP NA NA +MJ047793 Corydecumbine C20H19NO6 369.121237 NA MeJP NA NA +MJ047794 Corysolidine C20H19NO6 369.121237 NA MeJP NA NA +MJ047795 Duguevanine, N-Formyl C20H19NO6 369.121237 NA MeJP NA NA +MJ047796 Egenine C20H19NO6 369.121237 NA MeJP NA NA +MJ047797 Fumarofine C20H19NO6 369.121237 NA MeJP NA NA +MJ047798 Hydrastine, O4'-De-Me C20H19NO6 369.121237 NA MeJP NA NA +MJ047799 Hydrastine, O5'-De-Me C20H19NO6 369.121237 NA MeJP NA NA +MJ047800 Hydrastine, O4-De-Me C20H19NO6 369.121237 NA MeJP NA NA +MJ047801 Isorhoeagenine C20H19NO6 369.121237 NA MeJP NA NA +MJ047802 Ochratoxin A; Dechloro C20H19NO6 369.121237 NA MeJP NA NA +MJ047803 Ochrobirine C20H19NO6 369.121237 NA MeJP NA NA +MJ047804 Polyberbine C20H19NO6 369.121237 NA MeJP NA NA +MJ047805 Protopine; N-Oxide C20H19NO6 369.121237 NA MeJP NA NA +MJ047806 Rhoeadine, 6-Epimer, N-de-Me C20H19NO6 369.121237 NA MeJP NA NA +MJ047807 Rhoeadine, N-De-Me C20H19NO6 369.121237 NA MeJP NA NA +MJ047808 Rhoeagenine C20H19NO6 369.121237 NA MeJP NA NA +MJ047809 Severzinine C20H19NO6 369.121237 NA MeJP NA NA +MJ047810 Taspine C20H19NO6 369.121237 NA MeJP NA NA +MJ047811 Taxilamine C20H19NO6 369.121237 NA MeJP NA NA +MJ047812 Yenhusomidine, 8-Epimer, O2-de-Me C20H19NO6 369.121237 NA MeJP NA NA +MJ047813 Yenhusomidine, O2-De-Me C20H19NO6 369.121237 NA MeJP NA NA +MJ047814 Leptopidine C20H20NO6(+) 369.121237 NA MeJP NA NA +MetaCyc03232 6-hydroxyprotopine [] C20H19N1O6 369.121237 NA metacyc NA NA +C13179 Fleroxacin C17H18F3N3O3 369.13 NA KEGG NA NA +C13180 Transferred to D01717 C17H18F3N3O3 369.13 NA KEGG NA NA +C13181 Transferred to D01718 C17H18F3N3O3 369.13 NA KEGG NA NA +MJ047815 4-[3-(4-Hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile C17H18F3N3O3 369.130026 NA MeJP NA NA +MJ047816 Fleroxacin C17H18F3N3O3 369.130026 NA MeJP NA NA +PJ000596 GMY C16H23N3O5S 369.1359 NA PeJP NA NA +MJ047817 Chrysobactin C16H23N3O7 369.1536 NA MeJP NA NA +PJ000597 STY C16H23N3O7 369.1536 NA PeJP NA NA +C02134 Allocryptopine C21H23NO5 369.1576 NA KEGG NA NA +C06534 Heroin C21H23NO5 369.1576 NA KEGG NA NA +C09444 Fumaricine C21H23NO5 369.1576 NA KEGG NA NA +C12257 (+/-)-Homochelidonine C21H23NO5 369.1576 NA KEGG NA NA +MJ047818 1,2,10-Trimethoxyaporphine, N-De-Me, N-methoxycarbonyl C21H23NO5 369.157622 NA MeJP NA NA +MJ047819 1-(2-Methylaminoethyl)-2,3,4-trimethoxy-6,7-methylenedioxyphenanthrene C21H23NO5 369.157622 NA MeJP NA NA +MJ047820 2,3,7-Trimethoxy-N-methyl-8,9-methylenedioxypavinane C21H23NO5 369.157622 NA MeJP NA NA +MJ047821 4-(5-Phenylpentyl)-1H-indole-2,3-dione; 6,7-Dimethoxy, 5-hydroxy C21H23NO5 369.157622 NA MeJP NA NA +MJ047822 8-Oxotetrahydropalmatine C21H23NO5 369.157622 NA MeJP NA NA +MJ047823 Alkaloid AM3 C21H23NO5 369.157622 NA MeJP NA NA +MJ047824 Alkaloid CC-20 C21H23NO5 369.157622 NA MeJP NA NA +MJ047825 Baicaline, N-Me C21H23NO5 369.157622 NA MeJP NA NA +MJ047826 Canadaline C21H23NO5 369.157622 NA MeJP NA NA +MJ047827 Capitavine; 4'-Hydroxy, 2,3-dihydro C21H23NO5 369.157622 NA MeJP NA NA +MJ047828 Cryptopine C21H23NO5 369.157622 NA MeJP NA NA +MJ047829 Dehydroglaucine; 7-Hydroxy C21H23NO5 369.157622 NA MeJP NA NA +MJ047830 Fagarine I C21H23NO5 369.157622 NA MeJP NA NA +MJ047831 Fumaricine C21H23NO5 369.157622 NA MeJP NA NA +MJ047832 Fumaritridine C21H23NO5 369.157622 NA MeJP NA NA +MJ047833 Heroin C21H23NO5 369.157622 NA MeJP NA NA +MJ047834 Leucoxine, Me ether C21H23NO5 369.157622 NA MeJP NA NA +MJ047835 Megistophylline I C21H23NO5 369.157622 NA MeJP NA NA +MJ047836 Ocoteine C21H23NO5 369.157622 NA MeJP NA NA +MJ047837 Oxypalmatine; 8-Alcohol C21H23NO5 369.157622 NA MeJP NA NA +MJ047838 Papaverine; ?-Methoxy C21H23NO5 369.157622 NA MeJP NA NA +MJ047839 Phoebine C21H23NO5 369.157622 NA MeJP NA NA +MJ047840 Prenylcitpressine; 3-Me ether C21H23NO5 369.157622 NA MeJP NA NA +MJ047841 Pyridovericin C21H23NO5 369.157622 NA MeJP NA NA +MJ047842 Rubescenamine; N-Me C21H23NO5 369.157622 NA MeJP NA NA +MJ047843 Spiduxine C21H23NO5 369.157622 NA MeJP NA NA +MJ047844 Tenellin C21H23NO5 369.157622 NA MeJP NA NA +MJ047845 Thalicthuberine; N-Oxide C21H23NO5 369.157622 NA MeJP NA NA +MJ047846 Thalimonine C21H23NO5 369.157622 NA MeJP NA NA +MJ047847 Zanthosin; N-Me C21H23NO5 369.157622 NA MeJP NA NA +MJ047848 ?-Homochelidonine C21H23NO5 369.157622 NA MeJP NA NA +MJ047849 Fumaritine; Natural-form, N-Me C21H24NO5(+) 369.157622 NA MeJP NA NA +MetaCyc03233 allocryptopine [] C21H23N1O5 369.157623 24240-04-8 metacyc NA NA +PJ000598 VDH C15H23N5O6 369.1649 NA PeJP NA NA +MJ047850 Mepiperphenidol(1+); Bromide C19H32BrNO 369.166727 NA MeJP NA NA +MJ047851 Epanolol C20H23N3O4 369.168856 NA MeJP NA NA +C11773 Epanolol C20H23N3O4 369.1689 NA KEGG NA NA +PJ000599 GFF C20H23N3O4 369.1689 NA PeJP NA NA +CJneg0567 Testosterone sulfate [(M-H)]- (13C) C1813CH27O5S 369.169625 C18rt(min)=8.65 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0567 Testosterone sulfate [(M-H)]- (13C) C1813CH27O5S 369.169625 C18rt(min)=8.65 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ047852 Amisulpride C17H27N3O4S 369.172227 NA MeJP NA NA +MJ047853 Axillarine C18H27NO7 369.178752 NA MeJP NA NA +MJ047854 Dihydroxytriangularine C18H27NO7 369.178752 NA MeJP NA NA +MJ047855 Jacoline C18H27NO7 369.178752 NA MeJP NA NA +MJ047856 Platyphylline; 2?,18-Dihydroxy C18H27NO7 369.178752 NA MeJP NA NA +MJ047857 Retronecine 9-(2,3-dihydroxy-2-hydroxymethylbutanoate) 7-senecioate C18H27NO7 369.178752 NA MeJP NA NA +MJ047858 Sceleratine C18H27NO7 369.178752 NA MeJP NA NA +MJ047859 Trichodesmine; 17-Hydroxy C18H27NO7 369.178752 NA MeJP NA NA +MJ047860 Trichodesmine; 19-Hydroxy C18H27NO7 369.178752 NA MeJP NA NA +MJ047861 Trichodesmine; N-Oxide C18H27NO7 369.178752 NA MeJP NA NA +MJ047862 Trimetrexate C19H23N5O3 369.180089 NA MeJP NA NA +C11154 Trimetrexate C19H23N5O3 369.1801 NA KEGG NA NA +8001 synthetic peptide LHT 369.189 ACE inhibitor Inhouse_peptide NA peptide +MJ047863 Antibiotic UCK 14A1 C17H27N3O6 369.189985 NA MeJP NA NA +MJ047864 Belactosin A C17H27N3O6 369.189985 NA MeJP NA NA +C08714 Thalicsessine C22H27NO4 369.194 NA KEGG NA NA +C15530 Corydaline C22H27NO4 369.194 NA KEGG NA NA +MJ047865 Corydaline C22H27NO4 369.194008 NA MeJP NA NA +MJ047866 Epocarbazolin A C22H27NO4 369.194008 NA MeJP NA NA +MJ047867 Erythrococcamide C C22H27NO4 369.194008 NA MeJP NA NA +MJ047868 Fissumine C22H27NO4 369.194008 NA MeJP NA NA +MJ047869 Hetisine; 2-Ketone, O13-Ac C22H27NO4 369.194008 NA MeJP NA NA +MJ047870 Madindoline A C22H27NO4 369.194008 NA MeJP NA NA +MJ047871 N-Methylsecoglaucine C22H27NO4 369.194008 NA MeJP NA NA +MJ047872 Neocarazostatin A C22H27NO4 369.194008 NA MeJP NA NA +MJ047873 Spirasine III C22H27NO4 369.194008 NA MeJP NA NA +MJ047874 Spireine C22H27NO4 369.194008 NA MeJP NA NA +MJ047875 Thalicsessine C22H27NO4 369.194008 NA MeJP NA NA +MJ047876 Uvariopsamine C22H27NO4 369.194008 NA MeJP NA NA +MJ047877 Argemonine, N-Me C22H28NO4(+) 369.194008 NA MeJP NA NA +MJ047878 Catalpifoline, N,N-Di-Me C22H28NO4(+) 369.194008 NA MeJP NA NA +MetaCyc03234 corydaline [] C22H27N1O4 369.194008 NA metacyc NA NA +MJ047879 5-Fluoro-3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-1H-indole C20H24FN5O 369.196488 NA MeJP NA NA +PJ000600 TLH C16H27N5O5 369.2012 NA PeJP NA NA +MJ047880 4-[2-[1-(6-Methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]benzoic acid; Et ester C21H27N3O3 369.205241 NA MeJP NA NA +MJ047881 Anidoxime C21H27N3O3 369.205241 NA MeJP NA NA +MJ047882 Bulaquine C21H27N3O3 369.205241 NA MeJP NA NA +MJ047883 Celafurine C21H27N3O3 369.205241 NA MeJP NA NA +MJ047884 Nicainoprol C21H27N3O3 369.205241 NA MeJP NA NA +2658 synthetic fr,of human beta-CN (143-149) ACE inhibitor PQTLALP 369.207 MH2+ Inhouse_peptide NA peptide +MJ047885 Suricainide C18H31N3O3S 369.208612 NA MeJP NA NA +MJ047886 9-[4-(Hexyloxy)phenyl]-10-methylacridinium(1+) C26H28NO(+) 369.209264 NA MeJP NA NA +MJ047887 Pramanicin C19H31NO6 369.215137 NA MeJP NA NA +MJ047888 Cilostazol C20H27N5O2 369.216475 NA MeJP NA NA +MJ047889 Calycine C23H31NO3 369.230393 NA MeJP NA NA +MJ047890 Diprafenone C23H31NO3 369.230393 NA MeJP NA NA +MJ047891 Norgestimate C23H31NO3 369.230393 NA MeJP NA NA +C14926 3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one C23H31NO3 369.2304 NA KEGG NA NA +MJ047892 Piboserod C22H31N3O2 369.241627 NA MeJP NA NA +MJ047893 Adatanserin C21H31N5O 369.25286 NA MeJP NA NA +MJ047894 Petrosaspongiolide L C24H35NO2 369.266779 NA MeJP NA NA +MJ047895 Actisomide C23H35N3O 369.278012 NA MeJP NA NA +MJ047896 4-Amino-1,13-diguanidino-5-tridecanone; N4-Ac C17H35N7O2 369.285223 NA MeJP NA NA +HMDB02014 cis-5-Tetradecenoylcarnitine C21H39NO4 369.2879 http://www.hmdb.ca/metabolites/HMDB02014 HMDB NA NA +HMDB02014 cis-5-Tetradecenoylcarnitine C21H39NO4 369.2879 HMDB02014 PFEM_hmdb_metabocards_official NA NA +HMDB02014 cis-5-Tetradecenoylcarnitine C21H39NO4 369.2879 NA ;SYN:4-(carbamimidamido)butanoate; 4-(carbamimidamido)butanoic acid; 4-Guanidinobutanoate; 4-Guanidinobutyrate; 4-Guanidinobutyric acid; 4-guanidinobutanoic acid; gamma-Guanidinobutyrate; gamma-Guanidinobutyric acidH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB02014 cis-5-Tetradecenoylcarnitine C21H39NO4 369.287903 NA HMDB2010 NA NA +HMDB13329 trans-2-Tetradecenoylcarnitine C21H39NO4 369.287903 NA HMDB2010 NA NA +MJ047897 2-(Aminomethyl)-2-propenoic acid; N-(2-Hydroxyhexadecanoyl), Me ester C21H39NO4 369.287908 NA MeJP NA NA +MJ047898 2-Pentadecyl-4(1H)-quinolinone; N-Me C25H39NO 369.303164 NA MeJP NA NA +MJ047899 Cyclobuxomicreine K C25H39NO 369.303164 NA MeJP NA NA +MJ047900 Cyclobuxophylline O; 3-Epimer, N-Me C25H39NO 369.303164 NA MeJP NA NA +MJ047901 Cyclobuxophylline O; N-Me C25H39NO 369.303164 NA MeJP NA NA +MJ047902 Cyclobuxosuffrine K C25H39NO 369.303164 NA MeJP NA NA +MJ047903 Cyclobuxoviramine C25H39NO 369.303164 NA MeJP NA NA +MJ047904 Cyclobuxoviridine L; N-De-Me C25H39NO 369.303164 NA MeJP NA NA +MJ047905 Aplidiasphingosine C22H43NO3 369.324294 NA MeJP NA NA +MJ047906 Penazetidine A C23H47NO2 369.360679 NA MeJP NA NA +MJ047907 Lycetamine C22H47N3O 369.371913 NA MeJP NA NA +MJ047908 1,1,1,3-Tetrabromo-2-propanone C3H2Br4O 369.683915 NA MeJP NA NA +MJ047909 1,1,3,3-Tetrabromo-2-propanone C3H2Br4O 369.683915 NA MeJP NA NA +C14185 Heptachlor C10H5Cl7 369.8211 NA KEGG NA NA +MJ047910 2,2'-Thiobis[4,6-dichlorophenol]; S-Oxide C12H6Cl4O3S 369.879175 NA MeJP NA NA +MJ047911 Triclofylline C11H13Cl3N4O4 370.000238 NA MeJP NA NA +MJ047912 Didemnimide A; 6-Bromo, N17-Me C16H11BrN4O2 370.006538 NA MeJP NA NA +C00447 Sedoheptulose 1,7-bisphosphate C7H16O13P2 370.0066 NA KEGG NA NA +C11472 D-glycero-D-manno-Heptose 1,7-bisphosphate C7H16O13P2 370.0066 NA KEGG NA NA +MJ047913 Sedoheptulose 1,7-bisphosphate C7H16O13P2 370.006613 NA MeJP NA NA +MetaCyc03235 D-sedoheptulose-1,7-bisphosphate [sedoheptulose 1,7-bisphosphate;D-sedoheptulose-1,7-diphosphate;D-sedoheptulose-1,7-P2;] C7H16O13P2 370.006614 NA metacyc NA NA +MJ047914 Azosemide C12H11ClN6O2S2 370.007342 NA MeJP NA NA +MJ047915 5-Iodo-7-(4-morpholinylmethyl)-8-quinolinol C14H15IN2O2 370.017821 NA MeJP NA NA +MJ047916 Benzo[1,2-b:3,4-b']bis[1,4]benzodioxin-1,3,6,9,11-pentol C18H10O9 370.032481 NA MeJP NA NA +MJ047917 Hydnuferrugin C18H10O9 370.032481 NA MeJP NA NA +MJ047918 Variegatorubin C18H10O9 370.032481 NA MeJP NA NA +MJ047919 1,2-Dihydroxy-1,2,3-propanetricarboxylic acid, 1-O-Caffeoyl(E) C15H14O11 370.053611 NA MeJP NA NA +FL3FAENI0001 Torosaflavone D;(E)-3-[5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-2-propenoic acid C19H14O8 370.06886 144049-79-6 knapsack NA NA +FL5FECNS0044 Meliternatin;7,9-Dimethoxy-6-[3,4-(methylenedioxy)phenyl]-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one;6-(1,3-Benzodioxol-5-yl)-7,9-dimethoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one C19H14O8 370.06886 479-78-7 knapsack NA NA +FL5FPTNS0008 6-Methoxypulcherrimin;7-Hydroxy-8,9-dimethoxy-1,3-dioxolo[7,8][2]benzopyrano[4,3-b][1]benzopyran-6(4H)-one C19H14O8 370.06886 89945-87-9 knapsack NA NA +FLIFWYNS0001 Stemonone C19H14O8 370.06886 41059-87-4 knapsack NA NA +MJ047920 3,3',4',5,6,7-Hexahydroxyflavone; 3',4':6,7-Bis(methylene), 3,5-di-Me ether C19H14O8 370.068867 NA MeJP NA NA +MJ047921 6,8-Dihydroxyflavone; Bis(carboxymethyl) ether C19H14O8 370.068867 NA MeJP NA NA +MJ047922 Araliorhamnone C; 8-Me ether, 7-methoxy C19H14O8 370.068867 NA MeJP NA NA +MJ047923 Austrocorticinic acid; 1'-Oxo C19H14O8 370.068867 NA MeJP NA NA +MJ047924 Dermolactone, 5-Hydroxy C19H14O8 370.068867 NA MeJP NA NA +MJ047925 Pulcherrimin; 6-Methoxy C19H14O8 370.068867 NA MeJP NA NA +MJ047926 Stemonal; 6-Ketone C19H14O8 370.068867 NA MeJP NA NA +MJ047927 Torosaflavone D C19H14O8 370.068867 NA MeJP NA NA +MJ047928 Rebamipide C19H15ClN2O4 370.072034 NA MeJP NA NA +C02273 Digalacturonate C12H18O13 370.0747 NA KEGG NA NA +C04354 1,2-beta-D-Glucuronosyl-D-glucuronate C12H18O13 370.0747 NA KEGG NA NA +MJ047929 4-O-?-D-Mannopyranuronosyl-D-mannuronic acid C12H18O13 370.07474 NA MeJP NA NA +MJ047930 4-O-?-D-Galactopyranuronosyl-D-galacturonic acid C12H18O13 370.07474 NA MeJP NA NA +MetaCyc03236 1,2-β-D-glucuronosyl-D-glucuronate [] C12H18O13 370.074741 NA metacyc NA NA +MJ047931 1,2-Phenylenebis(iminocarbonothioyl)biscarbamic acid; Di-Et ester C14H18N4O4S2 370.076946 NA MeJP NA NA +MJ047932 Laurefucin; Ac C17H23BrO4 370.077971 NA MeJP NA NA +MJ047933 Kinamycin F C18H14N2O7 370.0801 NA MeJP NA NA +C13416 Sodium equilin sulfate C18H19O5S 370.0851 NA KEGG NA NA +C13417 Transferred to D02451 C18H19O5S 370.0851 NA KEGG NA NA +C13418 Transferred to D01935 C18H19O5S 370.0851 NA KEGG NA NA +C13419 Transferred to D02464 C18H19O5S 370.0851 NA KEGG NA NA +C13420 Transferred to D01936 C18H19O5S 370.0851 NA KEGG NA NA +C13421 Transferred to D01937 C18H19O5S 370.0851 NA KEGG NA NA +MJ047934 Pterorhodine C13H10N10O4 370.088648 NA MeJP NA NA +MJ047935 Remoxipride C16H23BrN2O3 370.089205 NA MeJP NA NA +MJ047936 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6-Me ether, 7-O-?-D-glucopyranoside C16H18O10 370.089996 NA MeJP NA NA +MJ047937 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5-Me ether, 8-O-?-D-glucopyranoside C16H18O10 370.089996 NA MeJP NA NA +MJ047938 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-Me ether, 5-O-?-D-glucopyranoside C16H18O10 370.089996 NA MeJP NA NA +MJ047939 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-Me ether, 8-O-?-D-glucopyranoside C16H18O10 370.089996 NA MeJP NA NA +MJ047940 7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one; 7-O-?-D-Glucopyranoside C16H18O10 370.089996 NA MeJP NA NA +MJ047941 7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one; 8-O-?-D-Glucopyranoside C16H18O10 370.089996 NA MeJP NA NA +C09266 Fraxin C16H18O10 370.09 NA KEGG NA NA +MJ047942 5,12-Dihydrocycloocta[1,2-b:5,6-b']diindole-6,13-dicarboxylic acid C22H14N2O4 370.095356 NA MeJP NA NA +MJ047943 Asterriquinone D; Di-O-de-Me C22H14N2O4 370.095356 NA MeJP NA NA +MJ047944 Valdecoxib; N-(1-Oxopropyl) C19H18N2O4S 370.098727 NA MeJP NA NA +FL1DECNF0001 2'-Hydroxy-5',6'-dimethoxy-3,4-methylenedioxyfurano[2'',3'':4',3'] dihydrochalcon C20H18O7 370.10525 77985-80-9 knapsack NA NA +FL3FALNI0004 Oxidihydroartocarpesin C20H18O7 370.10525 23806-62-4 knapsack NA NA +FL4DACNR0001 7,8-Dihydrooxepinodihydroquercetin C20H18O7 370.10525 104668-90-8 knapsack NA NA +FL4DALNF0001 Shuterone A C20H18O7 370.10525 105377-66-0 knapsack NA NA +FL4DALNF0002 Shuterone B C20H18O7 370.10525 105454-03-3 knapsack NA NA +FL5F2CNI0001 Neouralenol;2-[3,4-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-3,6,7-trihydroxy-4H-1-benzopyran-4-one C20H18O7 370.10525 139163-16-9 knapsack NA NA +FL5FAANP0003 Glycyrrhiza flavonol A;2-(3,4-Dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one C20H18O7 370.10525 197304-01-1 knapsack NA NA +FL5FACNI0001 Gancaonin P;2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C20H18O7 370.10525 129145-54-6 knapsack NA NA +FL5FACNI0002 Uralenol;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-4H-1-benzopyran-4-one C20H18O7 370.10525 139163-15-8 knapsack NA NA +FL5FF9NS0013 8-Hydroxygalangin 7-methyl ether 8-butyrate C20H18O7 370.10525 69306-82-7 knapsack NA NA +FLIAALNF0001 Lupinisoflavone D C20H18O7 370.10525 93373-46-7 knapsack NA NA +FLIAALNF0003 Lupinisoflavone B C20H18O7 370.10525 91681-64-0 knapsack NA NA +FLIAALNF0005 Lunatone C20H18O7 370.10525 104363-13-5 knapsack NA NA +FLIAALNI0014 2,3-Dehydrokievitol C20H18O7 370.10525 104363-17-9 knapsack NA NA +MJ047945 1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(4-Hydroxy-3-hydroxymethyl-2-butenyl) C20H18O7 370.105252 NA MeJP NA NA +MJ047946 2',4',5,7-Tetrahydroxy-8-prenylisoflavone; 4''-Hydroxy C20H18O7 370.105252 NA MeJP NA NA +MJ047947 2-(3,4-Dihydroxyphenyl)-2,3,8,11-tetrahydro-3,5-dihydroxy-9-methyl-4H-pyrano[2,3-g][1]benzoxepin-4-one C20H18O7 370.105252 NA MeJP NA NA +MJ047948 3,3',4',5,7-Pentahydroxy-5'-prenylflavone C20H18O7 370.105252 NA MeJP NA NA +MJ047949 3,3',4',5,7-Pentahydroxy-6-prenylflavone C20H18O7 370.105252 NA MeJP NA NA +MJ047950 3,3',4',6,7-Pentahydroxy-2'-prenylflavone C20H18O7 370.105252 NA MeJP NA NA +MJ047951 3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 7'-Ketone, 3,4:3',4'-bis(methylene) ether C20H18O7 370.105252 NA MeJP NA NA +MJ047952 3,4:3',4'-Bis(methylenedioxy)lignan-9,9'-olide, 7S-Hydroxy C20H18O7 370.105252 NA MeJP NA NA +MJ047953 3,5,7,8-Tetrahydroxyflavone; 7-Me ether, 8-butanoyl C20H18O7 370.105252 NA MeJP NA NA +MJ047954 4,4'-Oxybis[3-phenyl-2-propenoic acid], 3,3'-Dimethoxy C20H18O7 370.105252 NA MeJP NA NA +MJ047955 4-Hydroxy-6,7-dimethoxy-6-[3-(3,4-methylenedioxyphenyl)-1-oxopropyl]benzofuran C20H18O7 370.105252 NA MeJP NA NA +MJ047956 ?-Apoplicatitoxin C20H18O7 370.105252 NA MeJP NA NA +MJ047957 Antibiotic C 112-III C20H18O7 370.105252 NA MeJP NA NA +MJ047958 Aptosimol C20H18O7 370.105252 NA MeJP NA NA +MJ047959 Aranciamycin; 4-(Deglycosyloxy), 1?-alcohol C20H18O7 370.105252 NA MeJP NA NA +MJ047960 Averufanin C20H18O7 370.105252 NA MeJP NA NA +MJ047961 Borhavine C20H18O7 370.105252 NA MeJP NA NA +MJ047962 Chasnarolide C20H18O7 370.105252 NA MeJP NA NA +MJ047963 Cladospirone H; 4,4a-Didehydro C20H18O7 370.105252 NA MeJP NA NA +MJ047964 Cleomiscosin B; 3'-Deoxy C20H18O7 370.105252 NA MeJP NA NA +MJ047965 Feudomycin C; Aglycone C20H18O7 370.105252 NA MeJP NA NA +MJ047966 Galacturonic acid; ?-D-Pyranose-form, 1,2:3,4-Di-O-benzylidene C20H18O7 370.105252 NA MeJP NA NA +MJ047967 Glycyrrhizaflavonol A C20H18O7 370.105252 NA MeJP NA NA +MJ047968 Hormothamnione; 6-Demethoxy C20H18O7 370.105252 NA MeJP NA NA +MJ047969 Isoderrone; 3',4'-Dihydro, 3S,4R-dihydroxy C20H18O7 370.105252 NA MeJP NA NA +MJ047970 Justisolin C20H18O7 370.105252 NA MeJP NA NA +MJ047971 Lunatone C20H18O7 370.105252 NA MeJP NA NA +MJ047972 Lupilutin C20H18O7 370.105252 NA MeJP NA NA +MJ047973 Lupinisoflavone B C20H18O7 370.105252 NA MeJP NA NA +MJ047974 Lupinisoflavone C; 2'-Hydroxy C20H18O7 370.105252 NA MeJP NA NA +MJ047975 Lupinol C C20H18O7 370.105252 NA MeJP NA NA +MJ047976 Methylophiopogonone A; 2,3-Dihydro, 1''-oxo, 7-Me ether C20H18O7 370.105252 NA MeJP NA NA +MJ047977 Norsolorinic acid C20H18O7 370.105252 NA MeJP NA NA +MJ047978 Palmarumycin C15; 4,5-Dihydro C20H18O7 370.105252 NA MeJP NA NA +MJ047979 Parabenzlactone C20H18O7 370.105252 NA MeJP NA NA +MJ047980 Paulownin C20H18O7 370.105252 NA MeJP NA NA +MJ047981 Propacin C20H18O7 370.105252 NA MeJP NA NA +MJ047982 Rhodocomatulin; 5,7-Di-Me ether C20H18O7 370.105252 NA MeJP NA NA +MJ047983 Samin; O-(3,4-Methylenedioxyphenyl) C20H18O7 370.105252 NA MeJP NA NA +MJ047984 Semilicoisoflavone B; 3',4'-Dihydro, 3'-hydroxy C20H18O7 370.105252 NA MeJP NA NA +MJ047985 Shuterol; 2'-Hydroxy C20H18O7 370.105252 NA MeJP NA NA +MJ047986 Sibiricin A; Et ester C20H18O7 370.105252 NA MeJP NA NA +MJ047987 Styraxin C20H18O7 370.105252 NA MeJP NA NA +MJ047988 Terphenyllin; 3,3''-Dihydroxy C20H18O7 370.105252 NA MeJP NA NA +MJ047989 ?-Citromycinone C20H18O7 370.105252 NA MeJP NA NA +MJ047990 ?-Rhodomycinone; 10-Deoxy C20H18O7 370.105252 NA MeJP NA NA +MJ047991 ?-Rhodomycinone; 10-Epimer, 7-Deoxy C20H18O7 370.105252 NA MeJP NA NA +C10887 Styraxin C20H18O7 370.1053 NA KEGG NA NA +MJ047992 Rhopaladin A; Debromo C21H14N4O3 370.10659 NA MeJP NA NA +MJ047993 Pivoxazepam C20H19ClN2O3 370.10842 NA MeJP NA NA +MJ047994 Acaciabiuronic acid; 4'-Me C13H22O12 370.111126 NA MeJP NA NA +MJ047995 Antibiotic DOB 41 C19H18N2O6 370.116486 NA MeJP NA NA +MJ047996 14-Chloro-3,5,10-trihydroxy-4(15),11(13)-guaiadien-12,8-olide, 3-Propanoyl C18H23ClO6 370.118316 NA MeJP NA NA +MJ047997 1,2,3,4-Tetrahydro-5,7-dihydroxy-2-naphthalenecarboxylic acid; 5-O-?-D-Glucopyranoside C17H22O9 370.126382 NA MeJP NA NA +MJ047998 3-(3,5-Dihydroxyphenyl)-2-propenoic acid; 3-Me ether, 5-O-?-D-glucopyranoside, Me ester C17H22O9 370.126382 NA MeJP NA NA +MJ047999 4,5-Dihydro-5-(2,3-dihydroxyphenyl)-4-methyl-2(3H)-furanone, 2'-O-?-D-Glucopyranoside C17H22O9 370.126382 NA MeJP NA NA +MJ048000 5-(2-Propenyl)-1,2,3,4-benzenetetrol; 1,2-Methylene, 4-Me ether, 3-O-?-D-glucopyranoside C17H22O9 370.126382 NA MeJP NA NA +MJ048001 Arbutin; 6-O-(4-Hydroxy-2-methylenebutanoyl) C17H22O9 370.126382 NA MeJP NA NA +MJ048002 Sinapaldehyde, O-?-D-Glucopyranoside C17H22O9 370.126382 NA MeJP NA NA +MetaCyc03237 sinapaldehyde glucoside [sinapyl aldehyde-4-O-β-D-glucopyranoside;] C17H22O9 370.126382 NA metacyc NA NA +MJ048003 2-[[3-(2-Quinolinylmethoxy)phenyl]amino]benzoic acid C23H18N2O3 370.131742 NA MeJP NA NA +C09831 5'-Prenylhomoeriodictyol C21H22O6 370.1416 NA KEGG NA NA +C10293 Alkannin beta,beta-dimethylacrylate C21H22O6 370.1416 NA KEGG NA NA +C10530 Sophoraisoflavanone A C21H22O6 370.1416 NA KEGG NA NA +C16957 Fargesin C21H22O6 370.1416 NA KEGG NA NA +C17415 beta,beta-Dimethylacrylshikonin C21H22O6 370.1416 NA KEGG NA NA +FL1C1ANI0006 Xanthoangelol E C21H22O6 370.14163 132998-84-6 knapsack NA NA +FL1CBANI0002 Xanthohumol D;3'-(2-Hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxy-6'-methoxychalcone C21H22O6 370.14163 274675-25-1 knapsack NA NA +FL1CBANP0003 Dehydrocycloxanthohumol hydrate;Xanthohumol B;6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxy-6'-methoxychalcone C21H22O6 370.14163 189308-10-9 knapsack NA NA +FL1CE9NI0002 2',4'-Dihydroxy-6'-methoxy-3'-(2-methylbutyryloxy)chalcone C21H22O6 370.14163 116988-11-5 knapsack NA NA +FL1CE9NI0003 2',4'-Dihydroxy-3'-isovaleryloxy-6'-methoxychalcone C21H22O6 370.14163 116988-12-6 knapsack NA NA +FL2FABNI0005 5,7-Dihydroxy-4'-methoxy-8-C-(2-hydroxy-3-methyl-3-butenyl)flavanone C21H22O6 370.14163 145631-55-6 knapsack NA NA +FL2FADNI0001 5'-Prenylhomoeriodictyol;Abyssinin II;Abyssinoflavanone II C21H22O6 370.14163 671781-82-1 knapsack NA NA +FL2FADNI0004 Exiguaflavanone K C21H22O6 370.14163 156281-21-9 knapsack NA NA +FL2FADNI0006 (2S)-5,7,4'-Trihydroxy-3'-methoxy-6-(1,1-dimethylallyl)flavanone C21H22O6 370.14163 192572-95-5 knapsack NA NA +FL2FAENI0002 4'-Methylsigmoidin B C21H22O6 370.14163 114340-00-0 knapsack NA NA +FL2FALNI0011 Kenusanone I C21H22O6 370.14163 151782-74-0 knapsack NA NA +FL2FCCNI0002 5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone C21H22O6 370.14163 72944-03-7 knapsack NA NA +FL2FF8NI0001 Dioflorin;(2R)-5,7,2'-Trihydroxy-8-methoxy-6-prenylflavanone C21H22O6 370.14163 204127-54-8 knapsack NA NA +FL4DBANI0001 5,7,4'-Trihydroxy-5-methoxy-8-prenylflavanone C21H22O6 370.14163 204935-85-3 knapsack NA NA +FL4DF9NI0001 Dioclenol;3,5,7-Trihydroxy-8-methoxy-6-prenylflavanone C21H22O6 370.14163 197379-44-5 knapsack NA NA +FL6DBANP0001 4beta-Hydroxyobovatachromene C21H22O6 370.14163 76265-10-6 knapsack NA NA +FL6DE9NF0001 3,4,5,6-Tetramethoxyfurano[2,3-h]flavan C21H22O6 370.14163 77970-11-7 knapsack NA NA +FL6DF9NF0001 Diplotropin;(5R,6S,7R)-rel-(+)-6,7-Dihydro-4,5,6,9-tetramethoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran C21H22O6 370.14163 883238-76-4 knapsack NA NA +FLIBAENI0001 3S-5,7,3'-Trihydroxy-4'-methoxy-5'-prenylisoflavanone C21H22O6 370.14163 123828-67-1 knapsack NA NA +FLIBALNI0002 Sophoraisoflavanone A C21H22O6 370.14163 69573-59-7 knapsack NA NA +FLIBALNI0007 Diphysolidone;5,7,2'-Trihydroxy-4'-methoxy-6-prenylisoflavanone C21H22O6 370.14163 88899-19-8 knapsack NA NA +FLIBALNI0008 4'-O-Methylkievitone;5,7,2'-Trihydroxy-4'-methoxy-8-prenylisoflavanone C21H22O6 370.14163 - knapsack NA NA +FLIDHXNI0006 Sphenostylin B;(6aS,11aS)-3,6a,8-Trihydroxy-9-methoxy-10-prenylpterocarpan C21H22O6 370.14163 115610-55-4 knapsack NA NA +MJ048004 1,3,5,6-Tetrahydroxy-2-prenylxanthone; 3,5,6-Tri-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048005 1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan, 5-Methoxy C21H22O6 370.141638 NA MeJP NA NA +MJ048006 12,20:15,16-Diepoxy-3,8(17),13(16),14-clerodatetraen-19,20-olid-18-oic acid, Me ester C21H22O6 370.141638 NA MeJP NA NA +MJ048007 2',3',4',7-Tetrahydroxy-5'-prenylisoflavanone, 4'-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048008 2',4',5,7-Tetrahydroxy-3'-prenylisoflavone; 2,3-Dihydro, 2'-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048009 2',4',5,7-Tetrahydroxy-6-prenylisoflavanone; 4'-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048010 2',4',5,7-Tetrahydroxy-6-prenylisoflavanone; 7-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048011 2',4',5,7-Tetrahydroxy-8-prenylflavanone, 2'-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048012 2',4',5,7-Tetrahydroxy-8-prenylflavanone, 7-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048013 2',4',5,7-Tetrahydroxy-8-prenylisoflavanone; 4'-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048014 2',4,4',6'-Tetrahydroxy-3'-prenylchalcone; ?3''-Isomer, 2''-hydroxy, 6'-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048015 2',4,4'-Trihydroxy-3'-prenylchalcone; ?3''-Isomer, 2''-hydroperoxy, 4'-Me ether, C21H22O6 370.141638 NA MeJP NA NA +MJ048016 2',5,7,8-Tetrahydroxy-6-prenylflavanone, 8-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048017 2,3-Dihydro-5,7-dimethoxy-3-methyl-2-(3,4-methylenedioxyphenyl)-6-(2-propenyloxy)benzofuran C21H22O6 370.141638 NA MeJP NA NA +MJ048018 3',4',5,7-Tetrahydroxy-2'-prenylisoflavanone; 4'-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048019 3',4',5,7-Tetrahydroxy-5'-prenylflavanone, 4'-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048020 3',4',5,7-Tetrahydroxy-5'-prenylflavanone, 3'-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048021 3',4',5,7-Tetrahydroxy-5'-prenylisoflavanone, 4'-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048022 3',4',5,7-Tetrahydroxy-8-prenylflavanone, 3-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048023 3',4',5,7-Tetrahydroxy-8-prenylflavanone, 7-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048024 3,3',4,4'-Tetrahydroxylign-7-en-9,9'-olide, 3,3',4'-Tri-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048025 3,3',4,4'-Tetrahydroxylignan-9,9'-olide, 3,4-Methylene, 3',4'-di-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048026 3,3',4,4'-Tetrahydroxylignan, 7,7'-Dioxo, 3,4-methylene, 3',4'-di-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048027 3,4-Dihydro-2-(4-hydroxyphenyl)-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,4,5-triol; 5-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048028 3,4-Dihydro-3,4,5,6-tetramethoxy-2-phenyl-2H-furo[2,3-h]-1-benzopyran C21H22O6 370.141638 NA MeJP NA NA +MJ048029 3,5,7,8-Tetrahydroxy-6-prenylflavanone, 8-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048030 3-(3,4-Dimethoxybenzyl)-4,5-dihydro-4-(3,4-methylenedioxybenzyl)-2(3H)-furanone C21H22O6 370.141638 NA MeJP NA NA +MJ048031 4',5,7-Trihydroxy-8-prenylflavanone, ?3''-Isomer, 2''-hydroxy, 4'-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048032 4-Hydroxy-6,7-dimethoxy-2,3-dimethyl-4-piperonyl-1-tetralone C21H22O6 370.141638 NA MeJP NA NA +MJ048033 4-Hydroxyobovatochromene C21H22O6 370.141638 NA MeJP NA NA +MJ048034 5'-(1,1-Dimethyl-2-propenyl)-2',3',4',7-tetrahydroxyisoflavanone, 4'-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048035 5'-(1,1-Dimethyl-2-propenyl)-2',4',5,7-tetrahydroxyisoflavanone; 2'-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048036 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(3-Methyl-2-butenoyl) C21H22O6 370.141638 NA MeJP NA NA +MJ048037 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-Angeloyl C21H22O6 370.141638 NA MeJP NA NA +MJ048038 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, Angeloyl C21H22O6 370.141638 NA MeJP NA NA +MJ048039 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(3-Methyl-2-butenoyl) C21H22O6 370.141638 NA MeJP NA NA +MJ048040 6,7-Dihydro-4,5,6,9-tetramethoxy-7-phenyl-5H-furo[3,2-g]-1-benzopyran C21H22O6 370.141638 NA MeJP NA NA +MJ048041 6-(1,1-Dimethyl-2-propenyl)-3',4',5,7-tetrahydroxyflavanone, 3'-Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048042 8-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; ?5'-Isomer, 7'-hydroperoxy C21H22O6 370.141638 NA MeJP NA NA +MJ048043 8-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; ?7'-Isomer, 6'S-hydroperoxy C21H22O6 370.141638 NA MeJP NA NA +MJ048044 Bergamottin; 2',3';6',7'-Bisepoxide C21H22O6 370.141638 NA MeJP NA NA +MJ048045 Bursehernin C21H22O6 370.141638 NA MeJP NA NA +MJ048046 Cabenegrin A II C21H22O6 370.141638 NA MeJP NA NA +MJ048047 Cubebin; 9-Epimer, Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048048 Cubebin; Me ether C21H22O6 370.141638 NA MeJP NA NA +MJ048049 Curcumin; 1,2-Dihydro C21H22O6 370.141638 NA MeJP NA NA +MJ048050 Dehydroisopenicillide C21H22O6 370.141638 NA MeJP NA NA +MJ048051 Eryvarin A C21H22O6 370.141638 NA MeJP NA NA +MJ048052 Eusiderin I C21H22O6 370.141638 NA MeJP NA NA +MJ048053 Fargesone C C21H22O6 370.141638 NA MeJP NA NA +MJ048054 Fragransol D C21H22O6 370.141638 NA MeJP NA NA +MJ048055 Furoguaiacidin C21H22O6 370.141638 NA MeJP NA NA +MJ048056 Gorgiacerodiol; 11-Deoxy, 12-ketone C21H22O6 370.141638 NA MeJP NA NA +MJ048057 Hydroxyaristotetralone C21H22O6 370.141638 NA MeJP NA NA +MJ048058 Hydroxycristacarpone C21H22O6 370.141638 NA MeJP NA NA +MJ048059 Hydroxymethoxyotobain C21H22O6 370.141638 NA MeJP NA NA +MJ048060 Ocobullenone C21H22O6 370.141638 NA MeJP NA NA +MJ048061 Penicillide, 1'-Deoxy, 1',2'-didehydro, 3'-hydroxy C21H22O6 370.141638 NA MeJP NA NA +MJ048062 Podotoxin C21H22O6 370.141638 NA MeJP NA NA +MJ048063 Pseudopterolide C21H22O6 370.141638 NA MeJP NA NA +MJ048064 Sphenostylin B C21H22O6 370.141638 NA MeJP NA NA +MJ048065 Spinescin C21H22O6 370.141638 NA MeJP NA NA +MJ048066 Wortmannin; 11-Deacetoxy C21H22O6 370.141638 NA MeJP NA NA +MJ048067 Xanthohumol C; 3,4-Dihydro, 3?-hydroxy C21H22O6 370.141638 NA MeJP NA NA +MJ048068 Xanthohumol C; 3,4-Dihydro, 4?-hydroxy C21H22O6 370.141638 NA MeJP NA NA +MetaCyc03238 iso-dehydrocycloxanthohumol hydrate [] C21H22O6 370.141638 NA metacyc NA NA +MetaCyc03239 xanthohumol D [] C21H22O6 370.141638 NA metacyc NA NA +MetaCyc03240 xanthohumol B [] C21H22O6 370.141638 NA metacyc NA NA +MJ048069 Telenzepine C19H22N4O2S 370.146346 NA MeJP NA NA +HMDB03403 Amylose C14H26O11 370.14752 http://www.hmdb.ca/metabolites/HMDB03403 HMDB NA NA +HMDB04162 Galactan C14H26O11 370.14752 http://www.hmdb.ca/metabolites/HMDB04162 HMDB NA NA +HMDB03403 Amylose C14H26O11 370.14752 HMDB03403 PFEM_hmdb_metabocards_official NA NA +HMDB04162 Galactan C14H26O11 370.14752 HMDB04162 PFEM_hmdb_metabocards_official NA NA +HMDB03403 Amylose C14H26O11 370.147522 NA HMDB2010 NA NA +HMDB04162 Galactan C14H26O11 370.147522 NA HMDB2010 NA NA +MJ048070 Thioridazine C21H26N2S2 370.15374 NA MeJP NA NA +MJ048071 Maculalactone L C25H22O3 370.156894 NA MeJP NA NA +PJ000601 SQH C14H22N6O6 370.1601 NA PeJP NA NA +MJ048072 5,6-Dihydro-6-(2,4,6-trihydroxyheptyl)-2H-pyran-2-one, Tri-Ac C18H26O8 370.162767 NA MeJP NA NA +MJ048073 Boronolide C18H26O8 370.162767 NA MeJP NA NA +MJ048074 Cinatrin A C18H26O8 370.162767 NA MeJP NA NA +MJ048075 4-[3-(4-Fluorophenyl)-3,6-dihydro-1(2H)-pyridinyl]-2-hydroxypropoxybenzamide C21H23FN2O3 370.16927 NA MeJP NA NA +MJ048076 Gestaclone C23H27ClO2 370.169957 NA MeJP NA NA +C09147 Calanolide A C22H26O5 370.178 NA KEGG NA NA +C15313 3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one C22H26O5 370.178 NA KEGG NA NA +FLIC1LNI0003 Unanisoflavan C22H26O5 370.17802 61186-60-5 knapsack NA NA +MJ048077 2',4',5,7-Tetrahydroxy-3'-prenylisoflavan, 4',5-Di-Me ether C22H26O5 370.178023 NA MeJP NA NA +MJ048078 2',4',5,7-Tetrahydroxy-6-prenylisoflavan, 2',5-Di-Me ether C22H26O5 370.178023 NA MeJP NA NA +MJ048079 2',4',5,7-Tetrahydroxy-6-prenylisoflavan, 5,7-Di-Me ether C22H26O5 370.178023 NA MeJP NA NA +MJ048080 2,5,7-Trihydroxy-6-methyl-1,4-naphthoquinone; 7-Me ether, 2-O-(3,7-dimethyl-2,6-octadienyl) C22H26O5 370.178023 NA MeJP NA NA +MJ048081 2-Methylteretifolione B; 14,15-Dihydro, 15-hydroxy, 3-Me ether C22H26O5 370.178023 NA MeJP NA NA +MJ048082 3',4,4',5,5'-Pentahydroxy-2,7'-cyclolignan, 4,5-Methylene ether, 3',4',5'-tri-Me ether C22H26O5 370.178023 NA MeJP NA NA +MJ048083 3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, Tetra-Me ether C22H26O5 370.178023 NA MeJP NA NA +MJ048084 3',5,5',7-Tetrahydroxy-6-prenylflavan; 3',5'-Di-Me ether C22H26O5 370.178023 NA MeJP NA NA +MJ048085 3,16-Dihydroxyestra-1,3,5(10)-trien-17-one; 16?-form, Di-Ac C22H26O5 370.178023 NA MeJP NA NA +MJ048086 3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3',4',5'-Tri-Me ether, 1-O-(2,6-decadien-4-ynoyl)(E,E-) C22H26O5 370.178023 NA MeJP NA NA +MJ048087 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5-triol, 5'-Methoxy, 3',4',5-tri-Me ether C22H26O5 370.178023 NA MeJP NA NA +MJ048088 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 10'-Acetoxy C22H26O5 370.178023 NA MeJP NA NA +MJ048089 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 4'-Acetoxy C22H26O5 370.178023 NA MeJP NA NA +MJ048090 4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 10'-Acetoxy C22H26O5 370.178023 NA MeJP NA NA +MJ048091 5-Hydroxy-2,2-dimethyl-6-(2-methyl-1-oxobutyl)-10-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one C22H26O5 370.178023 NA MeJP NA NA +MJ048092 5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one C22H26O5 370.178023 NA MeJP NA NA +MJ048093 7,9-Dihydroxy-3,3',4,4'-tetramethoxy-(8?9')-neolign-7'-ene, 7-Deoxy, 7,8-didehydro(Z-) C22H26O5 370.178023 NA MeJP NA NA +MJ048094 Avicennol, Et ether C22H26O5 370.178023 NA MeJP NA NA +MJ048095 Calanolide A C22H26O5 370.178023 NA MeJP NA NA +MJ048096 Crotohaumanoxide C22H26O5 370.178023 NA MeJP NA NA +MJ048097 Didymic acid C22H26O5 370.178023 NA MeJP NA NA +MJ048098 Furaquinocin H; 1',5',6'-Trideoxy C22H26O5 370.178023 NA MeJP NA NA +MJ048099 Hancinone B; Me ether C22H26O5 370.178023 NA MeJP NA NA +MJ048100 Isodidymic acid C22H26O5 370.178023 NA MeJP NA NA +MJ048101 Kallolide A; Ac C22H26O5 370.178023 NA MeJP NA NA +MJ048102 Lomatin, O-(Z)-4-Octenoyl C22H26O5 370.178023 NA MeJP NA NA +MJ048103 MAB 6 C22H26O5 370.178023 NA MeJP NA NA +MJ048104 Malabaricone A; 3',4'-(Methylenedioxy) C22H26O5 370.178023 NA MeJP NA NA +MJ048105 Melacarpic acid C22H26O5 370.178023 NA MeJP NA NA +MJ048106 Pseudocalanolide C C22H26O5 370.178023 NA MeJP NA NA +MJ048107 Unanisoflavan C22H26O5 370.178023 NA MeJP NA NA +MJ048108 Lorcainide C22H27ClN2O 370.181191 NA MeJP NA NA +MJ048109 3-Hydroxyandrostan-17-one, 3-Sulfate C19H30O5S 370.181394 NA MeJP NA NA +MetaCyc03241 3-β-hydroxyandrost-5-en-17-one 3-sulfate [] C19H30O5S1 370.181395 NA metacyc NA NA +HMDB02759 Androsterone sulfate C19H30O5S 370.181396 NA HMDB2010 NA NA +HMDB06278 5a-Dihydrotestosterone sulfate C19H30O5S 370.181396 NA HMDB2010 NA NA +HMDB13232 Etiocholanolone sulfate C19H30O5S 370.181396 NA HMDB2010 NA NA +HMDB02759 Androsterone sulfate C19H30O5S 370.1814 http://www.hmdb.ca/metabolites/HMDB02759 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02759 Androsterone sulfate C19H30O5S 370.1814 http://www.hmdb.ca/metabolites/HMDB02759 HMDB NA NA +HMDB06278 5alpha-Dihydrotestosterone sulfate C19H30O5S 370.1814 http://www.hmdb.ca/metabolites/HMDB06278 HMDB NA NA +HMDB02759 Androsterone sulfate C19H30O5S 370.1814 http://www.hmdb.ca/metabolites/HMDB02759 PFEM_hmdb_metabocards_blood NA blood +HMDB02759 Androsterone sulfate C19H30O5S 370.1814 HMDB02759 PFEM_hmdb_metabocards_official NA NA +HMDB06278 5alpha-Dihydrotestosterone sulfate C19H30O5S 370.1814 HMDB06278 PFEM_hmdb_metabocards_official NA NA +MJ048110 Oxypendyl C20H26N4OS 370.182732 NA MeJP NA NA +PJ000602 GPPT C16H26N4O6 370.1853 NA PeJP NA NA +MJ048111 16,17-Didehydro-17-hydroxy-16-(hydroxymethyl)corynan-5-carboxylic acid C21H26N2O4 370.189257 NA MeJP NA NA +MJ048112 18-Hydroxyyohimbine C21H26N2O4 370.189257 NA MeJP NA NA +MJ048113 ?-Vincadifformine, 18,19?-Dihydroxy C21H26N2O4 370.189257 NA MeJP NA NA +MJ048114 ?-Yohimbine oxindole C21H26N2O4 370.189257 NA MeJP NA NA +MJ048115 ?-Yohimbine pseudoindoxyl C21H26N2O4 370.189257 NA MeJP NA NA +MJ048116 ?-Yohimbine, Nb-Oxide C21H26N2O4 370.189257 NA MeJP NA NA +MJ048117 Ajmalicidine C21H26N2O4 370.189257 NA MeJP NA NA +MJ048118 Ajmalicinine C21H26N2O4 370.189257 NA MeJP NA NA +MJ048119 Alkaloid ND 370 C21H26N2O4 370.189257 NA MeJP NA NA +MJ048120 Amsosinine C21H26N2O4 370.189257 NA MeJP NA NA +MJ048121 Aspidodasycarpine C21H26N2O4 370.189257 NA MeJP NA NA +MJ048122 Aspidolimidine; O-De-Me C21H26N2O4 370.189257 NA MeJP NA NA +MJ048123 Ciladopa C21H26N2O4 370.189257 NA MeJP NA NA +MJ048124 Coronaridine hydroxyindolenine; 19S-Hydroxy C21H26N2O4 370.189257 NA MeJP NA NA +MJ048125 Coronaridine, 18,19R-Dihydroxy C21H26N2O4 370.189257 NA MeJP NA NA +MJ048126 Echitamidine, 12-Methoxy C21H26N2O4 370.189257 NA MeJP NA NA +MJ048127 Echitamine; N4-De-Me C21H26N2O4 370.189257 NA MeJP NA NA +MJ048128 Echitamine; Parent acid C21H26N2O4 370.189257 NA MeJP NA NA +MJ048129 Gelsemamide; 11-Methoxy C21H26N2O4 370.189257 NA MeJP NA NA +MJ048130 Gelsemine; N-Methoxy, 18,19-dihydro, 19R-hydroxy C21H26N2O4 370.189257 NA MeJP NA NA +MJ048131 Heyneanine; 10-Hydroxy C21H26N2O4 370.189257 NA MeJP NA NA +MJ048132 Heyneanine; 11-Hydroxy C21H26N2O4 370.189257 NA MeJP NA NA +MJ048133 Humantenirine C21H26N2O4 370.189257 NA MeJP NA NA +MJ048134 Isositsirikine, (4S)-N-Oxide C21H26N2O4 370.189257 NA MeJP NA NA +MJ048135 Pandoline, 20-Epimer, 19?-hydroxy C21H26N2O4 370.189257 NA MeJP NA NA +MJ048136 Powerine C21H26N2O4 370.189257 NA MeJP NA NA +MJ048137 Raucubaine; 11-Methoxy C21H26N2O4 370.189257 NA MeJP NA NA +MJ048138 Rhyncophylline, 7-Epimer, parent acid C21H26N2O4 370.189257 NA MeJP NA NA +MJ048139 Rhyncophylline, Parent acid C21H26N2O4 370.189257 NA MeJP NA NA +MJ048140 Spermostrychnine; 17,23-Dihydroxy C21H26N2O4 370.189257 NA MeJP NA NA +MJ048141 Spermostrychnine; 23-Hydroxy, N4-oxide C21H26N2O4 370.189257 NA MeJP NA NA +MJ048142 Strychnosplendine; 19-Epimer, N1-hydroxyacetyl C21H26N2O4 370.189257 NA MeJP NA NA +MJ048143 Strychnosplendine; N1-Hydroxyacetyl C21H26N2O4 370.189257 NA MeJP NA NA +MJ048144 Tacamine; 19S-Hydroxy C21H26N2O4 370.189257 NA MeJP NA NA +MJ048145 Vincamine, 19-Hydroxy C21H26N2O4 370.189257 NA MeJP NA NA +MJ048146 Echitamidine, 12-Hydroxy, Nb-Me C21H27N2O4(+) 370.189257 NA MeJP NA NA +C09039 Aspidodasycarpine C21H26N2O4 370.1893 NA KEGG NA NA +C17557 Lonicerin C21H26N2O4 370.1893 NA KEGG NA NA +3567 NA SEPKAIP 370.1965 MH2+ Inhouse_peptide NA peptide +PJ000603 SKH C15H26N6O5 370.1965 NA PeJP NA NA +MJ048147 1-[4-[4-[4-(Trifluoromethyl)-2-pyridinyl]-1-piperazinyl]butyl]-2-pyrrolidinone C18H25F3N4O 370.198046 NA MeJP NA NA +MJ048148 4,7-Megastigmadiene-3,9-diol, 3-Ketone, 9-O-?-D-glucopyranoside C19H30O7 370.199153 NA MeJP NA NA +MJ048149 4,7-Megastigmadiene-3,9-diol, 9-Ketone, 3-O-?-D-glucopyranoside C19H30O7 370.199153 NA MeJP NA NA +MJ048150 4,7-Megastigmadiene-3,9-diol, 3-Ketone, 9-O-?-D-glucopyranoside C19H30O7 370.199153 NA MeJP NA NA +MJ048151 5-Megastigmen-7-yne-3,9-diol; 3-O-?-D-Glucopyranoside C19H30O7 370.199153 NA MeJP NA NA +MJ048152 5-Megastigmen-7-yne-3,9-diol; 9-O-?-D-Glucopyranoside C19H30O7 370.199153 NA MeJP NA NA +MJ048153 Savoxepin C25H26N2O 370.204513 NA MeJP NA NA +MJ048154 Ocfentanil C22H27FN2O2 370.205656 NA MeJP NA NA +MJ048155 1(10),3-Guaiadien-8-ol; 8?-form, O-(4-Hydroxy-3-methoxybenzoyl) C23H30O4 370.214409 NA MeJP NA NA +MJ048156 1,3(15),6-Humulatrien-10-ol; 4-Hydroxy-3-methoxybenzoyl C23H30O4 370.214409 NA MeJP NA NA +MJ048157 1,3(15),6-Humulatrien-9-ol, O-(4-Hydroxy-3-methoxybenzoyl) C23H30O4 370.214409 NA MeJP NA NA +MJ048158 1-(2,4-Dihydroxyphenyl)-3,7,11-trimethyl-3-vinyl-6,10-dodecadien-1-one; 6E-form, 9-Ketone C23H30O4 370.214409 NA MeJP NA NA +MJ048159 10(14)-Aromadendrene-4,8-diol, 8-(4-Methoxybenzoyl) C23H30O4 370.214409 NA MeJP NA NA +MJ048160 11-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-undecanone C23H30O4 370.214409 NA MeJP NA NA +MJ048161 2,6-Dihydroxy-2-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-3(2H)-benzofuranone C23H30O4 370.214409 NA MeJP NA NA +MJ048162 4,8-Daucadien-14-al; 14-Alcohol, 4?,5?-epoxide, O-(4-methoxybenzoyl) C23H30O4 370.214409 NA MeJP NA NA +MJ048163 4-Scirpenol, O-(6R,7R-Epoxy-2Z,4E-octadienoyl), 12,13-deepoxy C23H30O4 370.214409 NA MeJP NA NA +MJ048164 8,14-Epoxy-3-hydroxycarda-16,20(22)-dienolide C23H30O4 370.214409 NA MeJP NA NA +MJ048165 Avarol; 2',5'-Quinone, 6'-acetoxy C23H30O4 370.214409 NA MeJP NA NA +MJ048166 Daurichromenic acid C23H30O4 370.214409 NA MeJP NA NA +MJ048167 Ilicicolin F; Dechloro, deacetoxy C23H30O4 370.214409 NA MeJP NA NA +MJ048168 Rhododaurichromanic acid A C23H30O4 370.214409 NA MeJP NA NA +MJ048169 Ropizine C24H26N4 370.215746 NA MeJP NA NA +3404 ACE inhibitor VRP 370.221 ACE inhibitor Inhouse_peptide NA peptide +PJ000604 AAPL C17H30N4O5 370.2216 NA PeJP NA NA +C06495 Compound III(S) C22H30N2O3 370.2256 NA KEGG NA NA +MJ048170 5-[7-[4-(4-Ethyl-4,5-dihydro-2-oxazolyl)phenoxy]heptyl]-3-methylisoxazole C22H30N2O3 370.225642 NA MeJP NA NA +MJ048171 Aspidocarpine C22H30N2O3 370.225642 NA MeJP NA NA +MJ048172 Cylindrocarine, N-Me C22H30N2O3 370.225642 NA MeJP NA NA +MJ048173 Cylindrocarpinol; N-Ac C22H30N2O3 370.225642 NA MeJP NA NA +MJ048174 Dregamine; 3R-Alcohol, Me ether C22H30N2O3 370.225642 NA MeJP NA NA +MJ048175 Limaspermine C22H30N2O3 370.225642 NA MeJP NA NA +MJ048176 Malagashanine; 3,20-Diepimer, 21-alcohol C22H30N2O3 370.225642 NA MeJP NA NA +MJ048177 Vincatine C22H30N2O3 370.225642 NA MeJP NA NA +MJ048178 Artilide C19H34N2O3S 370.229013 NA MeJP NA NA +PJ000605 PVR C16H30N6O4 370.2329 NA PeJP NA NA +EUR467 6ketoProstaglandinF1? F1 F1 370.232925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR467 6ketoProstaglandinF1? F1 NA 370.232925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR467 6ketoProstaglandinF1? F1 F1 370.232925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR467 6ketoProstaglandinF1? F1 NA 370.232925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR467 6ketoProstaglandinF1? F1 F1 370.232925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR467 6ketoProstaglandinF1? F1 NA 370.232925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR467 6ketoProstaglandinF1? F1 F1 370.232925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR467 6ketoProstaglandinF1? F1 F1 370.232925 standards wishlist analysés sur QTOF HMDB NA NA +EUR467 6ketoProstaglandinF1? F1 F1 370.232925 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR467 6ketoProstaglandinF1? F1 NA 370.232925 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR467 6ketoProstaglandinF1? F1 F1 370.232925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR467 6ketoProstaglandinF1? F1 F1 370.232925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR468 Thromboxane B2 F1 NA 370.235325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR468 Thromboxane B2 F1 NA 370.235325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR468 Thromboxane B2 F1 NA 370.235325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR468 Thromboxane B2 F1 NA 370.235325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR468 Thromboxane B2 F1 NA 370.235325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR468 Thromboxane B2 F1 NA 370.235325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR468 Thromboxane B2 F1 NA 370.235325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR468 Thromboxane B2 F1 NA 370.235325 standards wishlist analysés sur QTOF HMDB NA NA +EUR468 Thromboxane B2 F1 NA 370.235325 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR468 Thromboxane B2 F1 NA 370.235325 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR468 Thromboxane B2 F1 NA 370.235325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR468 Thromboxane B2 F1 NA 370.235325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR163 6-keto-Prostaglandin-F1a(6-keto-PGF1a) C20H34O6 370.2355 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR188 thromboxaneB2 C20H34O6 370.2355 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR163 6-keto-Prostaglandin-F1a(6-keto-PGF1a) C20H34O6 370.2355 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR188 thromboxaneB2 C20H34O6 370.2355 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR163 6-keto-Prostaglandin-F1a(6-keto-PGF1a) C20H34O6 370.2355 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR188 thromboxaneB2 C20H34O6 370.2355 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR163 6-keto-Prostaglandin-F1a(6-keto-PGF1a) C20H34O6 370.2355 Wishlist Inhousejuil11 NA NA +EUR188 thromboxaneB2 C20H34O6 370.2355 Wishlist Inhousejuil11 NA NA +C05961 6-Keto-prostaglandin F1alpha C20H34O6 370.2355 NA KEGG NA NA +C05963 Thromboxane B2 C20H34O6 370.2355 NA KEGG NA NA +HMDB02886 6-keto-Prostaglandin F1a C20H34O6 370.23553 http://www.hmdb.ca/metabolites/HMDB02886 PFEM_hmdb_metabocards_urine NA urine +HMDB03252 Thromboxane B2 C20H34O6 370.23553 http://www.hmdb.ca/metabolites/HMDB03252 PFEM_hmdb_metabocards_urine NA urine +HMDB02886 6-keto-Prostaglandin F1a C20H34O6 370.23553 http://www.hmdb.ca/metabolites/HMDB02886 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03252 Thromboxane B2 C20H34O6 370.23553 http://www.hmdb.ca/metabolites/HMDB03252 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02886 6-keto-Prostaglandin F1a C20H34O6 370.23553 http://www.hmdb.ca/metabolites/HMDB02886 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB03252 Thromboxane B2 C20H34O6 370.23553 http://www.hmdb.ca/metabolites/HMDB03252 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02886 6-keto-Prostaglandin F1a C20H34O6 370.23553 http://www.hmdb.ca/metabolites/HMDB02886 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB03252 Thromboxane B2 C20H34O6 370.23553 http://www.hmdb.ca/metabolites/HMDB03252 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02886 6-keto-Prostaglandin F1a C20H34O6 370.23553 http://www.hmdb.ca/metabolites/HMDB02886 HMDB NA NA +HMDB03252 Thromboxane B2 C20H34O6 370.23553 http://www.hmdb.ca/metabolites/HMDB03252 HMDB NA NA +HMDB04049 20-hydroxy-PGF2a C20H34O6 370.23553 http://www.hmdb.ca/metabolites/HMDB04049 HMDB NA NA +HMDB02886 6-keto-Prostaglandin F1a C20H34O6 370.23553 http://www.hmdb.ca/metabolites/HMDB02886 PFEM_hmdb_metabocards_blood NA blood +HMDB03252 Thromboxane B2 C20H34O6 370.23553 http://www.hmdb.ca/metabolites/HMDB03252 PFEM_hmdb_metabocards_blood NA blood +HMDB02886 6-keto-Prostaglandin F1a C20H34O6 370.23553 HMDB02886 PFEM_hmdb_metabocards_official NA NA +HMDB03252 Thromboxane B2 C20H34O6 370.23553 HMDB03252 PFEM_hmdb_metabocards_official NA NA +HMDB04049 20-hydroxy-PGF2a C20H34O6 370.23553 HMDB04049 PFEM_hmdb_metabocards_official NA NA +HMDB02886 6-Keto-prostaglandin F1a C20H34O6 370.235535 NA HMDB2010 NA NA +HMDB03252 Thromboxane B2 C20H34O6 370.235535 NA HMDB2010 NA NA +HMDB04049 20-Hydroxy-PGF2a C20H34O6 370.235535 NA HMDB2010 NA NA +MJ048179 6-Keto-prostaglandin F1alpha C20H34O6 370.235538 NA MeJP NA NA +MJ048180 11,15,19-Trihydroxy-9-oxoprost-13-enoic acid C20H34O6 370.235538 NA MeJP NA NA +MJ048181 3,5,6,10,14,16-Grayanotoxanehexol C20H34O6 370.235538 NA MeJP NA NA +MJ048182 9,11,15,19-Tetrahydroxy-5,13-prostadienoic acid C20H34O6 370.235538 NA MeJP NA NA +MJ048183 9,11,15-Trihydroxy-6-oxoprost-13-enoic acid C20H34O6 370.235538 NA MeJP NA NA +MJ048184 9,11,15-Trihydroxyprost-13-enoic acid, 6,15-Dioxo, 13,14-dihydro C20H34O6 370.235538 NA MeJP NA NA +MJ048185 Kalmanol C20H34O6 370.235538 NA MeJP NA NA +MJ048186 Platenolide II C20H34O6 370.235538 NA MeJP NA NA +MJ048187 Thromboxane B2 C20H34O6 370.235538 NA MeJP NA NA +EUR163 6-keto-Prostaglandin-F1a(6-keto-PGF1a) C20H34O6 370.23554 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR188 ThromboxaneB2 C20H34O6 370.23554 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR163 6-keto-Prostaglandin-F1a(6-keto-PGF1a) C20H34O6 370.23554 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR188 ThromboxaneB2 C20H34O6 370.23554 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR163 6-keto-Prostaglandin-F1a(6-keto-PGF1a) C20H34O6 370.23554 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR188 ThromboxaneB2 C20H34O6 370.23554 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR163 6-keto-Prostaglandin-F1a(6-keto-PGF1a) C20H34O6 370.23554 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR188 ThromboxaneB2 C20H34O6 370.23554 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR163 6-keto-Prostaglandin-F1a(6-keto-PGF1a) C20H34O6 370.23554 Wishlist HMDB NA NA +EUR188 ThromboxaneB2 C20H34O6 370.23554 Wishlist HMDB NA NA +EUR163 6-keto-Prostaglandin-F1a(6-keto-PGF1a) C20H34O6 370.23554 Wishlist Inhouse_PFEM NA NA +EUR188 ThromboxaneB2 C20H34O6 370.23554 Wishlist Inhouse_PFEM NA NA +EUR163 6-keto-Prostaglandin-F1a(6-keto-PGF1a) C20H34O6 370.23554 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR188 ThromboxaneB2 C20H34O6 370.23554 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR163 6-keto-Prostaglandin-F1a(6-keto-PGF1a) C20H34O6 370.23554 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR188 ThromboxaneB2 C20H34O6 370.23554 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB00476 3-Oxo-4,6-choladienoic acid C24H34O3 370.25079 http://www.hmdb.ca/metabolites/HMDB00476 HMDB NA NA +HMDB00476 3-Oxo-4,6-choladienoic acid C24H34O3 370.25079 HMDB00476 PFEM_hmdb_metabocards_official NA NA +HMDB00476 3-Oxo-4,6-choladienoic acid C24H34O3 370.250793 NA HMDB2010 NA NA +MJ048188 2-Heptadecyl-6-hydroxybenzoic acid; 8',9',11',12',14',15'-Hexadehydro(all-Z-) C24H34O3 370.250794 NA MeJP NA NA +MJ048189 4,6-Eudesmanediol, 6-O-Cinnamoyl C24H34O3 370.250794 NA MeJP NA NA +MJ048190 Rimexolone C24H34O3 370.250794 NA MeJP NA NA +MJ048191 (15-Hydroxyhexadecyl)methylenebutanedioic acid C21H38O5 370.271924 NA MeJP NA NA +MJ048192 2,3,4-Trihydroxy-15-clerodanoic acid, Me ester C21H38O5 370.271924 NA MeJP NA NA +MJ048193 Murolic acid, 4S,20-Dihydro C21H38O5 370.271924 NA MeJP NA NA +C13674 1-Naphthylacetylspermine C22H34N4O 370.2733 NA KEGG NA NA +MJ048194 Antibiotic 1024 SY 1 C20H38N2O4 370.283157 NA MeJP NA NA +MJ048195 16-Scalarene-24,25-dial C25H38O2 370.28718 NA MeJP NA NA +MJ048196 2,7,18-Ophiobolatrien-24-ol, Carboxylic acid C25H38O2 370.28718 NA MeJP NA NA +MJ048197 3(20),7,18-Ophiobolatrien-24-ol, 24-Carboxylic acid C25H38O2 370.28718 NA MeJP NA NA +MJ048198 3-(1,1-Dimethylheptyl)-6a,7,10,10a-tetrahydro-6-6-dimethyl-6H-dibenzo[b,d]pyran-9-methanol C25H38O2 370.28718 NA MeJP NA NA +MJ048199 7,13-Abietadien-18-ol; 18-Tigloyl C25H38O2 370.28718 NA MeJP NA NA +MJ048200 Cericerene; 24-Carboxylic acid C25H38O2 370.28718 NA MeJP NA NA +MJ048201 Ceriferol 1; 23-Carboxylic acid C25H38O2 370.28718 NA MeJP NA NA +MJ048202 Cyclolinteinone; 3-Deoxo C25H38O2 370.28718 NA MeJP NA NA +MJ048203 Flocerol; Carboxylic acid C25H38O2 370.28718 NA MeJP NA NA +MJ048204 Gascardic acid C25H38O2 370.28718 NA MeJP NA NA +MJ048205 Luffarin P C25H38O2 370.28718 NA MeJP NA NA +MJ048206 Luffarin Q C25H38O2 370.28718 NA MeJP NA NA +MJ048207 Penmesterol C25H38O2 370.28718 NA MeJP NA NA +MJ048208 Raoulic acid C25H38O2 370.28718 NA MeJP NA NA +MJ048209 Retigeranic acid C25H38O2 370.28718 NA MeJP NA NA +MJ048210 Stellatic acid C25H38O2 370.28718 NA MeJP NA NA +C14240 Di(2-ethylhexyl) adipate C22H42O4 370.3083 NA KEGG NA NA +MJ048211 5-Alkyl-3,5-dimethyl-1,2-dioxolane-3-acetic acids; 3,5-Dimethyl-5-pentadecyl-1,2-dioxolane-3-acetic acid C22H42O4 370.308309 NA MeJP NA NA +MJ048212 Docosanedioic acid C22H42O4 370.308309 NA MeJP NA NA +MJ048213 Glycerol 1-alkanoates; Glycerol 1-(10-methyl-9Z-octadecenoate) C22H42O4 370.308309 NA MeJP NA NA +MJ048214 26,27-Dinorergosta-5,22-dien-3-ol C26H42O 370.323565 NA MeJP NA NA +MJ048215 26,27-Dinorergosta-7,22-dien-3-ol C26H42O 370.323565 NA MeJP NA NA +MJ048216 Cericerene; 13?-Methoxy C26H42O 370.323565 NA MeJP NA NA +C15119 B-Norcholest-4-en-3-one C26H42O 370.3236 NA KEGG NA NA +MJ048217 Buxamine I; N3-Me C25H42N2 370.334799 NA MeJP NA NA +MJ048218 2-Hydroxy-21-methyldocosanoic acid C23H46O3 370.344695 NA MeJP NA NA +MJ048219 2-Hydroxytricosanoic acid C23H46O3 370.344695 NA MeJP NA NA +HMDB00941 Cholest-5-ene C27H46 370.35995 http://www.hmdb.ca/metabolites/HMDB00941 HMDB NA NA +HMDB00941 Cholest-5-ene C27H46 370.35995 HMDB00941 PFEM_hmdb_metabocards_official NA NA +MJ048220 22,29,30-Trisnorhopane C27H46 370.359951 NA MeJP NA NA +MJ048221 25,28,30-Trinormoretane C27H46 370.359951 NA MeJP NA NA +MJ048222 5-Cholestene C27H46 370.359951 NA MeJP NA NA +HMDB00941 Cholest-5-ene C27H46 370.359955 NA HMDB2010 NA NA +C05416 5-Cholestene C27H46 370.36 NA KEGG NA NA +MJ048223 1,24-Tetracosanediol C24H50O2 370.38108 NA MeJP NA NA +MJ048224 1,3-Tetracosanediol C24H50O2 370.38108 NA MeJP NA NA +3969 NA RADHPF 370.67145 MH2+ Inhouse_peptide NA peptide +3630 NA YPFGFL~ 370.686 MH2+ Inhouse_peptide NA peptide +3632 NA YPFGFI~ 370.686 MH2+ Inhouse_peptide NA peptide +8159 ACE inhibitor from b-CN (203-209) GPFPIIV 370.7145 MH2+ Inhouse_peptide NA peptide +MJ048225 Fiacitabine C9H11FIN3O4 370.977827 NA MeJP NA NA +MJ048226 Lornoxicam C13H10ClN3O4S2 370.980124 NA MeJP NA NA +MJ048227 Pluracidomycin C1 C10H13NO10S2 370.998087 NA MeJP NA NA +MJ048228 Carboplatin C6H12N2O4Pt 371.044481 NA MeJP NA NA +C13852 Sipatrigine C15H16Cl3N5 371.0471 NA KEGG NA NA +MJ048229 Sipatrigine C15H16Cl3N5 371.047128 NA MeJP NA NA +MJ048230 Denotivir C18H14ClN3O2S 371.049525 NA MeJP NA NA +MJ048231 5'-Deoxy-5'-(dimethylarsinyl)adenosine C12H18AsN5O4 371.057475 NA MeJP NA NA +MJ048232 6,8-Dimethoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid C18H13NO8 371.064116 NA MeJP NA NA +MJ048233 6-Hydroxy-7-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Me ether C18H13NO8 371.064116 NA MeJP NA NA +MJ048234 7,8-Dimethoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid C18H13NO8 371.064116 NA MeJP NA NA +MJ048235 Antibiotic M 53B1 C14H17N3O7S 371.07872 NA MeJP NA NA +MJ048236 Arotinolol C15H21N3O2S3 371.079589 NA MeJP NA NA +C13652 Ampicillin sodium C16H18N3O4S 371.0916 NA KEGG NA NA +C13653 Transferred to D02120 C16H18N3O4S 371.0916 NA KEGG NA NA +C13654 Transferred to D02121 C16H18N3O4S 371.0916 NA KEGG NA NA +C13655 Transferred to D02122 C16H18N3O4S 371.0916 NA KEGG NA NA +C13656 Transferred to D02123 C16H18N3O4S 371.0916 NA KEGG NA NA +C13657 Transferred to D02124 C16H18N3O4S 371.0916 NA KEGG NA NA +C13658 Transferred to D02125 C16H18N3O4S 371.0916 NA KEGG NA NA +C13659 Transferred to D02126 C16H18N3O4S 371.0916 NA KEGG NA NA +C13660 Transferred to D02127 C16H18N3O4S 371.0916 NA KEGG NA NA +C13661 Transferred to D02128 C16H18N3O4S 371.0916 NA KEGG NA NA +C12679 Berberine chloride C20H18NO4 371.0924 NA KEGG NA NA +C12680 Transferred to D01251 C20H18NO4 371.0924 NA KEGG NA NA +C12681 Transferred to D01252 C20H18NO4 371.0924 NA KEGG NA NA +C12682 Transferred to D01253 C20H18NO4 371.0924 NA KEGG NA NA +C12683 Transferred to D01254 C20H18NO4 371.0924 NA KEGG NA NA +C12684 Transferred to D01255 C20H18NO4 371.0924 NA KEGG NA NA +MJ048237 6-Azauridine; 2',3',5'-Tri-Ac C14H17N3O9 371.096479 NA MeJP NA NA +PJ000606 CCF C15H21N3O4S2 371.0974 NA PeJP NA NA +C07255 Nedocromil C19H17NO7 371.1005 NA KEGG NA NA +MJ048238 1,4,4a,5,5a,6,11,12a-Octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide C19H17NO7 371.100501 NA MeJP NA NA +MJ048239 3,4,8-Trihydroxy-10-nitro-1-phenanthrenecarboxylic acid; Tri-Me ether, Me ester C19H17NO7 371.100501 NA MeJP NA NA +MJ048240 Nedocromil C19H17NO7 371.100501 NA MeJP NA NA +MJ048241 Camazepam C19H18ClN3O3 371.103669 NA MeJP NA NA +PJ000607 SCY C15H21N3O6S 371.1151 NA PeJP NA NA +MJ048242 4-(2-Amino-3-hydroxyphenyl)-4-oxobutanoic acid; O-?-D-Glucopyranoside C16H21NO9 371.121631 NA MeJP NA NA +MJ048243 9-Fluoro-2,3-dihydro-3-methyl-7-oxo-10-(3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid C19H18FN3O4 371.128134 NA MeJP NA NA +MJ048244 ?-Lumicolchicine; 3-O-De-Me, N-de-Ac, N-formyl C20H21NO6 371.136887 NA MeJP NA NA +MJ048245 Andesine C20H21NO6 371.136887 NA MeJP NA NA +MJ048246 Colchiceine, O2-De-Me C20H21NO6 371.136887 NA MeJP NA NA +MJ048247 Colchiceine, O3-De-Me C20H21NO6 371.136887 NA MeJP NA NA +MJ048248 Colchicine, O1,O2-Di-de-Me C20H21NO6 371.136887 NA MeJP NA NA +MJ048249 Colchicine, O2,O3-Di-de-Me C20H21NO6 371.136887 NA MeJP NA NA +MJ048250 Crebanine, 7R-Hydroxy, N-oxide(?-) C20H21NO6 371.136887 NA MeJP NA NA +MJ048251 Cryptopleurospermine C20H21NO6 371.136887 NA MeJP NA NA +MJ048252 Delavaine; 16-Oxo C20H21NO6 371.136887 NA MeJP NA NA +MJ048253 Fumaritine; Natural-form, N-Oxide C20H21NO6 371.136887 NA MeJP NA NA +MJ048254 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(4-Acetoxy-3-methyl-2Z-butenyl), 4,8-di-Me ether C20H21NO6 371.136887 NA MeJP NA NA +MJ048255 Lycorine, Di-Ac C20H21NO6 371.136887 NA MeJP NA NA +MJ048256 N-Deacetylcolchicine, N-Formyl, O2-de-Me C20H21NO6 371.136887 NA MeJP NA NA +MJ048257 N-Deacetylcolchicine, O3-De-Me, N-formyl C20H21NO6 371.136887 NA MeJP NA NA +MJ048258 N-Methyl-14-O-demethylepiporphyroxine C20H21NO6 371.136887 NA MeJP NA NA +MJ048259 Ophiocarpine, ?-N-Oxide C20H21NO6 371.136887 NA MeJP NA NA +MJ048260 Papaverrubine C C20H21NO6 371.136887 NA MeJP NA NA +MJ048261 Papaverrubine D C20H21NO6 371.136887 NA MeJP NA NA +MJ048262 Raddeanine, O2-De-Me C20H21NO6 371.136887 NA MeJP NA NA +MJ048263 Taxilamine; 3,4-Dihydro C20H21NO6 371.136887 NA MeJP NA NA +MJ048264 Leptopinine C20H22NO6(+) 371.136887 NA MeJP NA NA +MJ048265 Amocarzine C18H21N5O2S 371.141595 NA MeJP NA NA +PJ000608 SEH C14H21N5O7 371.1441 NA PeJP NA NA +MJ048266 Darodipine C19H21N3O5 371.14812 NA MeJP NA NA +MJ048267 Isradipine C19H21N3O5 371.14812 NA MeJP NA NA +MetaCyc03242 curcumin [diferuloylmethane;] C21H23O6 371.149463 NA metacyc NA NA +MJ048268 Trazodone C19H22ClN5O 371.151288 NA MeJP NA NA +C07156 Trazodone C19H22ClN5O 371.1513 NA KEGG NA NA +C07157 Transferred to D00384 C19H22ClN5O 371.1513 NA KEGG NA NA +C07158 Transferred to D00385 C19H22ClN5O 371.1513 NA KEGG NA NA +MJ048269 Sulverapride C16H25N3O5S 371.151491 NA MeJP NA NA +MJ048270 Tipentosin C21H25NO3S 371.155514 NA MeJP NA NA +MJ048271 Adenosine; N-(2-Methylbenzyl) C18H21N5O4 371.159354 NA MeJP NA NA +PJ000609 CLH C15H25N5O4S 371.1627 NA PeJP NA NA +MJ048272 Olanexidine C17H27Cl2N5 371.164351 NA MeJP NA NA +3650 NA YPFGFN~ 371.16545 MH2+ Inhouse_peptide NA peptide +MJ048273 Lenperone C22H23F2NO2 371.169685 NA MeJP NA NA +MJ048274 1,2-Dihydroxy-2,10,11-trimethoxyhomoaporphine C21H25NO5 371.173272 NA MeJP NA NA +MJ048275 8,14-Dihydrosalutaridine, Ac C21H25NO5 371.173272 NA MeJP NA NA +MJ048276 8-(3,3-Dimethylallyloxy)-N-methylflindersine; 7-Methoxy, 2'',3''-epoxide C21H25NO5 371.173272 NA MeJP NA NA +MJ048277 Acutifolidine C21H25NO5 371.173272 NA MeJP NA NA +MJ048278 Alkaloid CC-10 C21H25NO5 371.173272 NA MeJP NA NA +MJ048279 Androbine C21H25NO5 371.173272 NA MeJP NA NA +MJ048280 Androcymbine C21H25NO5 371.173272 NA MeJP NA NA +MJ048281 Argemonine, N-Oxide C21H25NO5 371.173272 NA MeJP NA NA +MJ048282 Baytopine C21H25NO5 371.173272 NA MeJP NA NA +MJ048283 Capaurine C21H25NO5 371.173272 NA MeJP NA NA +MJ048284 Cardionidine C21H25NO5 371.173272 NA MeJP NA NA +MJ048285 Cataline C21H25NO5 371.173272 NA MeJP NA NA +MJ048286 Catalpifoline, N-Me, N-Oxide C21H25NO5 371.173272 NA MeJP NA NA +MJ048287 Collutine C21H25NO5 371.173272 NA MeJP NA NA +MJ048288 Demecolcine C21H25NO5 371.173272 NA MeJP NA NA +MJ048289 Erythrartine; Ac C21H25NO5 371.173272 NA MeJP NA NA +MJ048290 Floramultine C21H25NO5 371.173272 NA MeJP NA NA +MJ048291 Isooconovine C21H25NO5 371.173272 NA MeJP NA NA +MJ048292 Mattogrossine C21H25NO5 371.173272 NA MeJP NA NA +MJ048293 Multifloramine C21H25NO5 371.173272 NA MeJP NA NA +MJ048294 Muramine; O9-De-Me C21H25NO5 371.173272 NA MeJP NA NA +MJ048295 N-(3,4-Dihydroxycinnamoyl)dopamine, Tetra-Me ether C21H25NO5 371.173272 NA MeJP NA NA +MJ048296 Oconovine C21H25NO5 371.173272 NA MeJP NA NA +MJ048297 Stephabinamine, 11-Me ether C21H25NO5 371.173272 NA MeJP NA NA +MJ048298 Stepharotine C21H25NO5 371.173272 NA MeJP NA NA +MJ048299 Szovitsine C21H25NO5 371.173272 NA MeJP NA NA +MJ048300 Tetrahydropalmatine, N-Oxide(R-) C21H25NO5 371.173272 NA MeJP NA NA +MJ048301 Tetrahydropalmatine, N-Oxide(S-) C21H25NO5 371.173272 NA MeJP NA NA +MJ048302 Thaicanine C21H25NO5 371.173272 NA MeJP NA NA +MJ048303 Thalicsimidine, N-De-Me C21H25NO5 371.173272 NA MeJP NA NA +MJ048304 Thalicsimidine, O1-De-Me C21H25NO5 371.173272 NA MeJP NA NA +MJ048305 Thalicsimidine, O3-De-Me C21H25NO5 371.173272 NA MeJP NA NA +MJ048306 Thalicsimidine, O9-De-Me C21H25NO5 371.173272 NA MeJP NA NA +MJ048307 Xylopinine, N-Oxide (?-) C21H25NO5 371.173272 NA MeJP NA NA +MJ048308 Xylopinine, N-Oxide (?-) C21H25NO5 371.173272 NA MeJP NA NA +MetaCyc03243 7-O-acetylsalutaridinol [] C21H25N1O5 371.173273 NA metacyc NA NA +C05322 7-O-Acetylsalutaridinol C21H25NO5 371.1733 NA KEGG NA NA +C09371 Capaurine C21H25NO5 371.1733 NA KEGG NA NA +C10569 Androcymbine C21H25NO5 371.1733 NA KEGG NA NA +C11250 Demecolcine C21H25NO5 371.1733 NA KEGG NA NA +C16708 Isoandrocymbine C21H25NO5 371.1733 NA KEGG NA NA +C16713 Floramultine C21H25NO5 371.1733 NA KEGG NA NA +MJ048309 Antibiotic BAY o 6997 C15H25N5O6 371.180483 NA MeJP NA NA +MJ048310 Lysidine C15H26N5O6(+) 371.180483 NA MeJP NA NA +PJ000610 PQQ C15H25N5O6 371.1805 NA PeJP NA NA +MJ048311 Cinoxopazide C20H25N3O4 371.184506 NA MeJP NA NA +MJ048312 Ecabapide C20H25N3O4 371.184506 NA MeJP NA NA +MJ048313 Pallidin C20H25N3O4 371.184506 NA MeJP NA NA +MJ048314 Croalbidine C18H29NO7 371.194402 NA MeJP NA NA +MJ048315 Europine; 5'-O-Ac C18H29NO7 371.194402 NA MeJP NA NA +MJ048316 Europine; O7-Ac C18H29NO7 371.194402 NA MeJP NA NA +MJ048317 ?,?-Diphenyl-4-piperidinemethanol; N-Diethylphosphoryl C22H30NO2P 371.201415 NA MeJP NA NA +MJ048318 Octastine C23H30ClNO 371.201592 NA MeJP NA NA +MJ048319 Propioxatin A C17H29N3O6 371.205635 NA MeJP NA NA +MJ048320 Andersobine C22H29NO4 371.209658 NA MeJP NA NA +MJ048321 Bucharamine C22H29NO4 371.209658 NA MeJP NA NA +MJ048322 Dehydronapelline; 15-Ac, N-de-Et C22H29NO4 371.209658 NA MeJP NA NA +MJ048323 Delnuttine C22H29NO4 371.209658 NA MeJP NA NA +MJ048324 Hetisine; O13-Ac C22H29NO4 371.209658 NA MeJP NA NA +MJ048325 Homolaudanosine C22H29NO4 371.209658 NA MeJP NA NA +MJ048326 Kirinine C C22H29NO4 371.209658 NA MeJP NA NA +MJ048327 Lepenine; N-De-Et, 19,21(N)-didehydro, 1-Ac C22H29NO4 371.209658 NA MeJP NA NA +MJ048328 Septentriosine; 19-Epimer, 1-deoxy, O2-Ac C22H29NO4 371.209658 NA MeJP NA NA +MJ048329 Tuberostemonine; 1,11,15-Triepimer, 1,2,3,9a-tetradehydro C22H29NO4 371.209658 NA MeJP NA NA +MJ048330 Tuberostemonine; 1,2,3,9a-Tetradehydro C22H29NO4 371.209658 NA MeJP NA NA +MJ048331 Tuberostemonine; 5'-Epimer, 1,2,3,9a-tetradehydro C22H29NO4 371.209658 NA MeJP NA NA +PJ000611 PQK C16H29N5O5 371.2169 NA PeJP NA NA +C07108 Tamoxifen C26H29NO 371.2249 NA KEGG NA NA +C07109 Transferred to D00367 C26H29NO 371.2249 NA KEGG NA NA +C07110 Transferred to D00368 C26H29NO 371.2249 NA KEGG NA NA +MJ048332 Tamoxifen C26H29NO 371.224914 NA MeJP NA NA +MetaCyc03244 tamoxifen [] C26H29N1O1 371.224915 NA metacyc NA NA +MJ048333 Crystal violet C25H30N3(+) 371.236147 NA MeJP NA NA +MJ048334 Daphniphyllum Alkaloid A1 C23H33NO3 371.246043 NA MeJP NA NA +MJ048335 Kirinine B; 11-Me ether C23H33NO3 371.246043 NA MeJP NA NA +MJ048336 Songorine; 1-Me ether C23H33NO3 371.246043 NA MeJP NA NA +MJ048337 Spirajine C23H33NO3 371.246043 NA MeJP NA NA +MJ048338 Spiramine J C23H33NO3 371.246043 NA MeJP NA NA +MJ048339 Yuzurimine B; Ac C23H33NO3 371.246043 NA MeJP NA NA +PJ000612 PKK C17H33N5O4 371.2533 NA PeJP NA NA +MJ048340 2-Tridecyl-4(1H)-quinolinone; 8-Methoxy, N-Me C24H37NO2 371.282429 NA MeJP NA NA +MJ048341 Buxtauine M C24H37NO2 371.282429 NA MeJP NA NA +MJ048342 Hexolame C24H37NO2 371.282429 NA MeJP NA NA +HMDB05066 Tetradecanoylcarnitine C21H41NO4 371.303558 NA HMDB2010 NA NA +MJ048343 Cassia Alkaloid D C22H45NO3 371.339944 NA MeJP NA NA +3695 NA YPFGFGG 371.657 MH2+ Inhouse_peptide NA peptide +3602 NA YPFGFD~ 371.65745 MH2+ Inhouse_peptide NA peptide +3581 NA FRHSVV 371.6975 MH2+ Inhouse_peptide NA peptide +MJ048344 2,3,5-Tribromo-6-methoxy-1,4-benzoquinone C7H3Br3O3 371.763231 NA MeJP NA NA +C18107 1,2,3,4,7,8-Hexachlorodibenzofuran C12H2Cl6O 371.8237 NA KEGG NA NA +C18108 1,2,3,7,8,9-Hexachlorodibenzofuran C12H2Cl6O 371.8237 NA KEGG NA NA +C18109 1,2,3,6,7,8-Hexachlorodibenzofuran C12H2Cl6O 371.8237 NA KEGG NA NA +C18110 2,3,4,6,7,8-Hexachlorodibenzofuran C12H2Cl6O 371.8237 NA KEGG NA NA +MJ048345 4-Bromo-3-(1-hydroxybutyl)-5-(iodomethylene)-2(5H)-furanone C9H10BrIO3 371.8858 NA MeJP NA NA +MJ048346 Di-2-pyridinyl disulfide; N,N'-Dioxide, MgSO4 complex C10H8MgN2O6S3 371.939489 NA MeJP NA NA +MJ048347 Beta-1,2,3,4,5,6-hexachlorocyclohexane C12H18Cl6 371.953966 NA MeJP NA NA +MJ048348 Fialuridine C9H10FIN2O5 371.961843 NA MeJP NA NA +MJ048349 Filiformin; 6-Bromo C15H18Br2O 371.97244 NA MeJP NA NA +MJ048350 Filiformin; Debromo, 6,6-dibromo C15H18Br2O 371.97244 NA MeJP NA NA +MJ048351 Laurenisol; 10-Bromo C15H18Br2O 371.97244 NA MeJP NA NA +MJ048352 Brevifolincarboxylic acid; 9-Sulfate C13H8O11S 371.978731 NA MeJP NA NA +MJ048353 Topopyrone A C18H9ClO7 372.00368 NA MeJP NA NA +MJ048354 Topopyrone B C18H9ClO7 372.00368 NA MeJP NA NA +MJ048355 Didemnoline A C16H13BrN4S 372.004429 NA MeJP NA NA +MJ048356 Clazuril C17H10Cl2N4O2 372.01808 NA MeJP NA NA +MJ048357 Bis(tetrahydrothiophene)gold(I)(1+) C8H16AuS2(+) 372.028068 NA MeJP NA NA +C13677 4-(N-Maleimido)benzyltrimethylammonium iodide C14H17N2O2 372.0335 NA KEGG NA NA +MJ048358 Austocystin A C19H13ClO6 372.040065 NA MeJP NA NA +MJ048359 Sterigmatocystin; 9-Chloro, 8-Me ether C19H13ClO6 372.040065 NA MeJP NA NA +C10334 Dothistromin C18H12O9 372.0481 NA KEGG NA NA +FLIFWYNS0005 Repenol;6a,12a-Dehydro-3,9,10,11-tetrahydroxy-6-acetoxyrotenone C18H12O9 372.04813 128486-16-8 knapsack NA NA +MJ048360 Coccineone B; 2,9-Dihydroxy, 6-Ac C18H12O9 372.048131 NA MeJP NA NA +MJ048361 Dothistromin C18H12O9 372.048131 NA MeJP NA NA +MJ048362 Eckol C18H12O9 372.048131 NA MeJP NA NA +MJ048363 Flavellagic acid; 7,8-Methylene, 1,2,3-tri-Me ether C18H12O9 372.048131 NA MeJP NA NA +MJ048364 Gomphidic acid C18H12O9 372.048131 NA MeJP NA NA +MJ048365 Stictic acid; O-De-Me C18H12O9 372.048131 NA MeJP NA NA +MJ048366 Substictic acid C18H12O9 372.048131 NA MeJP NA NA +MJ048367 Variegatic acid C18H12O9 372.048131 NA MeJP NA NA +MJ048368 Antibiotic C4 C14H16N2O8S 372.062736 NA MeJP NA NA +MJ048369 Cyclodiospyrin C22H12O6 372.063388 NA MeJP NA NA +MJ048370 Psoralen 3,4-dimer C22H12O6 372.063388 NA MeJP NA NA +MJ048371 5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 5-O-?-D-Glucopyranoside C15H16O11 372.069261 NA MeJP NA NA +MetaCyc03245 2-O-caffeoylglucarate [] C15H16O11 372.069261 NA metacyc NA NA +C03062 2-O-Caffeoylglucarate C15H16O11 372.0693 NA KEGG NA NA +MJ048372 Ridazolol C15H18Cl2N4O3 372.075595 NA MeJP NA NA +MJ048373 N,N,N',N'-Tetramethyl-1,6-hexanediamine; Polymer with 1,3-dibromopropane C13H30Br2N2 372.077574 NA MeJP NA NA +MJ048374 Sulindac, S-Oxide C20H17FO4S 372.083157 NA MeJP NA NA +FL5FACNS0002 Quercetin 3-isobutyrate C19H16O8 372.08451 102607-66-9 knapsack NA NA +FL5FACNS0003 Quercetin 3'-isobutyrate C19H16O8 372.08451 102607-69-2 knapsack NA NA +FL5FACNS0004 Quercetin 4'-isobutyrate C19H16O8 372.08451 102607-62-5 knapsack NA NA +FL5FECNS0042 Melisimplin;5-Hydroxy-3,6,7-trimethoxy-3',4'-(methylenedioxy)flavone;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one C19H16O8 372.08451 485-53-0 knapsack NA NA +FL5FFANS0018 Herbacetin 8-butyrate C19H16O8 372.08451 83677-11-6 knapsack NA NA +FL5FFANS0021 Herbacetin 7,4'-dimethyl ether 8-acetate C19H16O8 372.08451 69436-87-9 knapsack NA NA +FL5FFCNS0031 7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,8-trimethoxy-4H-1-benzopyran-4-one C19H16O8 372.08451 7741-42-6 knapsack NA NA +FL5FFCNS0032 5-Hydroxy-3,7,8-trimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,7,8-trimethoxy-4H-1-benzopyran-4-one C19H16O8 372.08451 54087-33-1 knapsack NA NA +FLIFWYNS0002 Stemonal C19H16O8 372.08451 54357-82-3 knapsack NA NA +MJ048375 3',4',5,5',6,7-Hexahydroxyisoflavone; 6,7-Methylene, 3',4',5'-tri-Me ether C19H16O8 372.084517 NA MeJP NA NA +MJ048376 3',4',5-Trihydroxy-3,7,8-trimethoxyflavone; 3',4'-Methylene ether C19H16O8 372.084517 NA MeJP NA NA +MJ048377 3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, 9'-Me ester C19H16O8 372.084517 NA MeJP NA NA +MJ048378 3,3',4',5,6,7-Hexahydroxyflavone; 3',4'-Methylene, 3,6,7-tri-Me ether C19H16O8 372.084517 NA MeJP NA NA +MJ048379 3,3',4',5,7,8-Hexahydroxyflavone; 3',4'-Methylene, 3,5,8-tri-Me ether C19H16O8 372.084517 NA MeJP NA NA +MJ048380 3,3',4',5,7-Pentahydroxyflavone; 3'-O-(2-Methylpropanoyl) C19H16O8 372.084517 NA MeJP NA NA +MJ048381 3,3',4',5,7-Pentahydroxyflavone; 3-O-(2-Methylpropanoyl) C19H16O8 372.084517 NA MeJP NA NA +MJ048382 3,3',4',5,7-Pentahydroxyflavone; 4'-O-(2-Methylpropanoyl) C19H16O8 372.084517 NA MeJP NA NA +MJ048383 3,4',5,7,8-Pentahydroxyflavone; 4',7-Di-Me ether, 8-Ac C19H16O8 372.084517 NA MeJP NA NA +MJ048384 3,4',5,7,8-Pentahydroxyflavone; 8-O-Butanoyl C19H16O8 372.084517 NA MeJP NA NA +MJ048385 Antibiotic K 802-4 C19H16O8 372.084517 NA MeJP NA NA +MJ048386 Antibiotic WP 3688-4 C19H16O8 372.084517 NA MeJP NA NA +MJ048387 Austrocorticinic acid; 4-Hydroxy C19H16O8 372.084517 NA MeJP NA NA +MJ048388 Derrusnin; 6-Methoxy, O4-de-Me C19H16O8 372.084517 NA MeJP NA NA +MJ048389 Hyposalazinic acid; 4-Me ether C19H16O8 372.084517 NA MeJP NA NA +MJ048390 Psorofebrin; O-De-Me, 11-O-Me, 5'-hydroxy C19H16O8 372.084517 NA MeJP NA NA +MJ048391 Rhodocomatulin; 8-Hydroxy, 7-Me ether C19H16O8 372.084517 NA MeJP NA NA +MJ048392 Sakyomicin B C19H16O8 372.084517 NA MeJP NA NA +MJ048393 Stemonal C19H16O8 372.084517 NA MeJP NA NA +MJ048394 Usararotenoid B C19H16O8 372.084517 NA MeJP NA NA +MJ048395 Virensic acid; Me ester C19H16O8 372.084517 NA MeJP NA NA +MJ048396 ?1-Rhodomycinone C19H16O8 372.084517 NA MeJP NA NA +MJ048397 Glafenine C19H17ClN2O4 372.087684 NA MeJP NA NA +MJ048398 Oxametacin C19H17ClN2O4 372.087684 NA MeJP NA NA +MJ048399 Aplysistatin; 12-Deoxo, 6?-acetoxy C17H25BrO4 372.093621 NA MeJP NA NA +FL1C1ANN0002 Lophirone E C23H16O5 372.09977 122127-72-4 knapsack NA NA +FL2F1ANN0001 Lophirone I;(S)-2,3-Dihydro-7-hydroxy-2-[2-(4-hydroxyphenyl)-5-benzofuranyl]-4H-1-benzopyran-4-one C23H16O5 372.09977 155548-31-5 knapsack NA NA +MJ048400 8-Benzoyl-5,7-dihydroxy-4-phenyl-2H-1-benzopyran-2-one; 5-Me ether C23H16O5 372.099773 NA MeJP NA NA +MJ048401 Lophirone I C23H16O5 372.099773 NA MeJP NA NA +MJ048402 Ohioensin C C23H16O5 372.099773 NA MeJP NA NA +C09956 Ohioensin-A C23H16O5 372.0998 NA KEGG NA NA +MJ048403 Cycloshermilamine D C21H16N4OS 372.104481 NA MeJP NA NA +MJ048404 Randioside C16H20O10 372.105646 NA MeJP NA NA +MJ048405 Veranisatin A; 4?-Hydroxy, 15-carboxylic acid, Me ester C16H20O10 372.105646 NA MeJP NA NA +MJ048406 altro-2-Heptulose, 7-(3,4-Dihydroxy-E-cinnamoyl) C16H20O10 372.105646 NA MeJP NA NA +MJ048407 Anhydroalstonatine C22H16N2O4 372.111007 NA MeJP NA NA +MJ048408 Broussonetine C22H16N2O4 372.111007 NA MeJP NA NA +C10186 Sinensetin C20H20O7 372.1209 NA KEGG NA NA +C10190 Tangeretin C20H20O7 372.1209 NA KEGG NA NA +C10883 Sesamolinol C20H20O7 372.1209 NA KEGG NA NA +FL1CHYNS0010 3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone C20H20O7 372.1209 622851-67-6 knapsack NA NA +FL2FACNI0016 Licoleafol;(2S)-5,7,3',4'-Tetrahydroxy-8-[(E)-3-hydroxymethyl-2-butenyl]flavanone C20H20O7 372.1209 677709-68-1 knapsack NA NA +FL2FACNP0003 Sigmoidin D C20H20O7 372.1209 106533-44-2 knapsack NA NA +FL2FADNS0002 5,7,4'-Trihydroxy-3'-methoxyflavanone 4'-O-isobutyrate C20H20O7 372.1209 140163-21-9 knapsack NA NA +FL3F2GNS0003 Prosogerin C C20H20O7 372.1209 70793-62-3 knapsack NA NA +FL3F3GNS0003 7,8,3',4',5'-Pentamethoxyflavone C20H20O7 372.1209 133342-97-9 knapsack NA NA +FL3F98NS0014 5,6,2',3',6'-Pentamethoxyflavone;5,6-Dimethoxy-2-(2,3,6-trimethoxyphenyl)-4H-1-benzopyran-4-one C20H20O7 372.1209 851383-33-0 knapsack NA NA +FL3F9GNS0001 Cerosilin B C20H20O7 372.1209 59481-47-9 knapsack NA NA +FL3F9LNS0002 5,6,2',3',4'-Pentamethoxyflavone;5,6-Dimethoxy-2-(2,3,4-trimethoxyphenyl)-4H-1-benzopyran-4-one C20H20O7 372.1209 113738-80-0 knapsack NA NA +FL3FAGNI0001 Asplenetin C20H20O7 372.1209 97180-29-5 knapsack NA NA +FL3FALNS0011 5,7,2',3',4'-Pentamethoxyflavone;5,7-Dimethoxy-2-(2,3,4-trimethoxyphenyl)-4H-1-benzopyran-4-one C20H20O7 372.1209 89121-55-1 knapsack NA NA +FL3FALNS0012 5,7,2',4',6'-Pentamethoxyflavone;5,7-Dimethoxy-2-(2,4,6-trimethoxyphenyl)-4H-1-benzopyran-4-one C20H20O7 372.1209 502633-20-7 knapsack NA NA +FL3FDKNS0001 Tricetin 5,7,3',4',5'-pentamethyl ether;5,7,3',4',5'-Pentamethoxyflavone;5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C20H20O7 372.1209 53350-26-8 knapsack NA NA +FL3FECNS0024 Sinensetin;5,6,7,3',4'-Pentamethoxyflavone;Pedalitin permethyl ether;2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one C20H20O7 372.1209 2306-27-6 knapsack NA NA +FL3FFCNS0007 Isosinensetin;6-Demethoxynobiletin;5,7,8,3',4'-Pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxy-4H-1-benzopyran-4-one C20H20O7 372.1209 17290-70-9 knapsack NA NA +FL3FGANS0002 Tangeretin C20H20O7 372.1209 481-53-8 knapsack NA NA +FL4DACNI0001 7-O-Prenyltaxifolin C20H20O7 372.1209 78876-51-4 knapsack NA NA +FL5F4ANS0001 Auranetin C20H20O7 372.1209 522-16-7 knapsack NA NA +FL5FA8NS0007 3,5,7,2',6'-Pentamethoxyflavone C20H20O7 372.1209 - knapsack NA NA +FL5FAANI0002 3,5,7,4'-Tetrahydroxy-6-(3-hydroxy-3-methylbutyl)flavone C20H20O7 372.1209 143724-79-2 knapsack NA NA +FL5FAANI0005 Noricaritin C20H20O7 372.1209 5240-95-9 knapsack NA NA +FL5FDDNM0005 5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone C20H20O7 372.1209 99339-46-5 knapsack NA NA +FL5FDFNM0001 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one C20H20O7 372.1209 54945-91-4 knapsack NA NA +FL5FDFNS0005 Quercetin pentamethyl ether C20H20O7 372.1209 1247-97-8 knapsack NA NA +FL5FFANS0016 Herbacetin pentamethyl ether;3,5,7,8,4'-Pentamethoxyflavone;3,5,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C20H20O7 372.1209 24027-55-2 knapsack NA NA +FL5FG9NS0006 3,5,6,7,8-Pentamethoxyflavone C20H20O7 372.1209 14221-85-3 knapsack NA NA +FLIA2GNS0002 6,7,2',3',4'-Pentamethoxyisoflavone C20H20O7 372.1209 33978-66-4 knapsack NA NA +FLIA2GNS0003 6,7,2',4',5'-Pentamethoxyisoflavone C20H20O7 372.1209 24203-68-7 knapsack NA NA +FLIA2LNS0005 6,7,3',4',5'-Pentamethoxyisoflavone C20H20O7 372.1209 58523-19-6 knapsack NA NA +FLIAALNI0015 2,3-Dehydrokievitone hydrate;5,7,2',4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)isoflavone C20H20O7 372.1209 104691-93-2 knapsack NA NA +FLIAALNS0007 Robustigenin methyl ether;5,7,2',4',5'-Pentamethoxyisoflavone C20H20O7 372.1209 72545-41-6 knapsack NA NA +FLIBALNI0010 Kievitol C20H20O7 372.1209 104363-14-6 knapsack NA NA +MJ048409 1,2,3,5,8-Pentahydroxy-6-methylanthraquinone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048410 15,16-Epoxy-1-oxo-2,13(16),14-clerodatriene-17,12:18,19-diolide, 6?-Hydroxy C20H20O7 372.120902 NA MeJP NA NA +MJ048411 15,16-Epoxy-10-hydroxy-2,7,13(16),14-clerodatetraene-17,12:18,19-diolide, 2?,3?-Epoxide C20H20O7 372.120902 NA MeJP NA NA +MJ048412 15,16-Epoxy-2,19-dihydroxy-3,8(17),13(16),14-clerodatetraene-18,6:20,12-diolide C20H20O7 372.120902 NA MeJP NA NA +MJ048413 15,16-Epoxy-2,6-dihydroxy-3,13(16),14-clerodatriene-18,19:20,12-diolide, 6-Ketone C20H20O7 372.120902 NA MeJP NA NA +MJ048414 19-Hydroxypteronia dilactone; 19-Ketone C20H20O7 372.120902 NA MeJP NA NA +MJ048415 2',3',4',5,6-Pentahydroxyflavone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048416 2',3',4',6,7-Pentahydroxyisoflavone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048417 2',3,3',4',7-Pentahydroxyflavone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048418 2',4',5',6,7-Pentahydroxyisoflavone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048419 2',4',5,5',7-Pentahydroxyisoflavone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048420 2',4',5,7-Tetrahydroxy-6-prenylflavone; 2'',3''-Dihydro, 3''-hydroxy C20H20O7 372.120902 NA MeJP NA NA +MJ048421 2',4',5,7-Tetrahydroxy-8-prenylisoflavone; 2'',3''-Dihydro, 3''-hydroxy C20H20O7 372.120902 NA MeJP NA NA +MJ048422 3',4',5',6,7-Pentahydroxyflavone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048423 3',4',5',6,7-Pentahydroxyisoflavone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048424 3',4',5',7,8-Pentahydroxyflavone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048425 3',4',5',7,8-Pentahydroxyisoflavone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048426 3',4',5,5',6-Pentahydroxyflavone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048427 3',4',5,5',7-Pentahydroxyflavone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048428 3',4',5,6,7-Pentahydroxyflavone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048429 3',4',5,7,8-Pentahydroxyflavone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048430 3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether, 4'-O-(2-methylpropanoyl) C20H20O7 372.120902 NA MeJP NA NA +MJ048431 3,3',4',5,7-Pentahydroxy-6,8-dimethylflavone; 3,3',7-Tri-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048432 3,3',4',5,7-Pentahydroxy-6-methylflavone; 3,3',4',7-Tetra-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048433 3,3',4',5,7-Pentahydroxy-8-methylflavone; 3,3',4',7-Tetra-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048434 3,3',4',5,7-Pentahydroxyflavanone, 7-O-(3-Methyl-2-butenyl) C20H20O7 372.120902 NA MeJP NA NA +MJ048435 3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 3,4:3',4'-Bis(methylene) ether C20H20O7 372.120902 NA MeJP NA NA +MJ048436 3,3',4,4',8-Pentahydroxylignan-9,9'-olide, 3',4'-Methylene, 3-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048437 3,3',4,4',9,9'-Hexahydroxy-7,9'-epoxylignan, 3,4:3',4'-Bis(methylene) ether C20H20O7 372.120902 NA MeJP NA NA +MJ048438 3,4',5,6,8-Pentahydroxyflavone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048439 3,4',5,7,8-Pentahydroxyflavone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048440 3,4',5,7-Tetrahydroxy-6-prenylflavone; 2'',3''-Dihydro, 3''-hydroxy C20H20O7 372.120902 NA MeJP NA NA +MJ048441 3,4',6,7,8-Pentahydroxyflavone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048442 3,5,6,7,8-Pentahydroxyflavone; Penta-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048443 4',5,6,7,8-Pentamethoxyflavone C20H20O7 372.120902 NA MeJP NA NA +MJ048444 4,4',8,9'-Tetrahydroxy-3',5-dimethoxy-2,7'-cyclolignan-9-oic acid; ?-Lactone C20H20O7 372.120902 NA MeJP NA NA +MJ048445 ?-Thujaplicatene C20H20O7 372.120902 NA MeJP NA NA +MJ048446 Asplenetin C20H20O7 372.120902 NA MeJP NA NA +MJ048447 Averantin C20H20O7 372.120902 NA MeJP NA NA +MJ048448 Cladospirone H C20H20O7 372.120902 NA MeJP NA NA +MJ048449 Cyclokievitone; 9,10-Dihydro, 9-hydroxy C20H20O7 372.120902 NA MeJP NA NA +MJ048450 Disynaphiolide C20H20O7 372.120902 NA MeJP NA NA +MJ048451 Elemiferone; 2',3'-Di-Ac C20H20O7 372.120902 NA MeJP NA NA +MJ048452 Excavatin D, 8-Methoxy, 9'-hydroxy C20H20O7 372.120902 NA MeJP NA NA +MJ048453 Fibleucin; 2?,3?-Epoxide C20H20O7 372.120902 NA MeJP NA NA +MJ048454 Fibleucin; 6?-Hydroxy C20H20O7 372.120902 NA MeJP NA NA +MJ048455 Graminone A C20H20O7 372.120902 NA MeJP NA NA +MJ048456 Hydroxymatairesinol; 7-Ketone C20H20O7 372.120902 NA MeJP NA NA +MJ048457 Juglorin C20H20O7 372.120902 NA MeJP NA NA +MJ048458 Monoepoxylignanolide C20H20O7 372.120902 NA MeJP NA NA +MJ048459 Naphthgeranine D; 4-Deoxy C20H20O7 372.120902 NA MeJP NA NA +MJ048460 Nephroarctin C20H20O7 372.120902 NA MeJP NA NA +MJ048461 Norherqueinone; 8-Me ether C20H20O7 372.120902 NA MeJP NA NA +MJ048462 Piperitol, 6-Hydroxy C20H20O7 372.120902 NA MeJP NA NA +MJ048463 Psorospermindiol; O4'-Me C20H20O7 372.120902 NA MeJP NA NA +MJ048464 Psorospermindiol; O5-Me C20H20O7 372.120902 NA MeJP NA NA +MJ048465 Salvianduline B C20H20O7 372.120902 NA MeJP NA NA +MJ048466 Sesamolinol C20H20O7 372.120902 NA MeJP NA NA +MJ048467 Sigmoidin D C20H20O7 372.120902 NA MeJP NA NA +MJ048468 Spectomycin A2; 8-Me ether C20H20O7 372.120902 NA MeJP NA NA +PJ000613 CNH C13H20N6O5S 372.1216 NA PeJP NA NA +MJ048469 18-Bromo-15-hydroxy-12,16,17-octadecatrienoic acid C18H29BrO3 372.130007 NA MeJP NA NA +MJ048470 18-Bromo-15-hydroxy-13,16,17-octadecatrienoic acid C18H29BrO3 372.130007 NA MeJP NA NA +MJ048471 Pycnosanguin C19H20N2O6 372.132136 NA MeJP NA NA +C01533 Syringin C17H24O9 372.142 NA KEGG NA NA +MJ048472 1-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3',5'-Di-Me ether, 4'-O-?-D-glucopyranoside C17H24O9 372.142032 NA MeJP NA NA +MJ048473 2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone, 2-O-?-D-Glucopyranoside C17H24O9 372.142032 NA MeJP NA NA +MJ048474 3-(2,3,5-Trihydroxyphenyl)-2-propen-1-ol, 2',5'-Di-Me ether, 3'-O-?-D-glucopyranoside C17H24O9 372.142032 NA MeJP NA NA +MJ048475 3-Hydroxy-2-methyl-4H-pyran-4-one; O-[3-Methylbutanoyl-(?6)-?-D-glucopyranoside] C17H24O9 372.142032 NA MeJP NA NA +MJ048476 Jioglutoside B; Derhamnosyl C17H24O9 372.142032 NA MeJP NA NA +MJ048477 Macrosphelide A; 13,14-Dihydro, 13-methoxy, 15-ketone C17H24O9 372.142032 NA MeJP NA NA +MJ048478 Sinapyl alcohol, 1-O-?-D-Glucopyranoside C17H24O9 372.142032 NA MeJP NA NA +MJ048479 Sinapyl alcohol, 4'-O-?-D-Glucopyranoside C17H24O9 372.142032 NA MeJP NA NA +MJ048480 Syringenone C17H24O9 372.142032 NA MeJP NA NA +MJ048481 Syringin C17H24O9 372.142032 NA MeJP NA NA +MetaCyc03246 syringin [sinapyl alcohol-4-O-β-D-glucopyranoside;] C17H24O9 372.142032 NA metacyc NA NA +PJ000614 GPPC C15H24N4O5S 372.1468 NA PeJP NA NA +HMDB02873 Deacetyldiltiazem C20H24N2O3S 372.150757 NA HMDB2010 NA NA +HMDB02873 Deacetyldiltiazem C20H24N2O3S 372.15076 http://www.hmdb.ca/metabolites/HMDB02873 HMDB NA NA +HMDB02873 Deacetyldiltiazem C20H24N2O3S 372.15076 HMDB02873 PFEM_hmdb_metabocards_official NA NA +FL6DBANI0001 5-O-Methyl-8-prenylafzelechin-4beta-ol C21H24O6 372.15728 76319-12-5 knapsack NA NA +HMDB05789 Tetrahydrocurcumin C21H24O6 372.157288 NA HMDB2010 NA NA +MJ048482 12,20:15,16-Diepoxy-3,8(17),13(16),14-clerodatetraen-19,20-olid-18-oic acid, 8,17-Dihydro, Me ester C21H24O6 372.157288 NA MeJP NA NA +MJ048483 15,16-Epoxy-12-oxo-3,13(16),14-clerodatrien-18,19-olid-17-oic acid; ent-form, Me ester C21H24O6 372.157288 NA MeJP NA NA +MJ048484 15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, 2-Ketone, Me ester C21H24O6 372.157288 NA MeJP NA NA +MJ048485 15,16-Epoxy-4-hydroxy-2,7,13(16),14-clerodatetraen-17,12-olid-18-oic acid, Me ester C21H24O6 372.157288 NA MeJP NA NA +MJ048486 15,16-Epoxy-6,18-dihydroxy-19-nor-4,13(16),14-clerodatrien-20,12-olide, 6-Ketone, 18-Ac C21H24O6 372.157288 NA MeJP NA NA +MJ048487 2-(1,4-Dihydroxy-4-methylpentyl)-5,8-dihydroxy-1,4-naphthoquinone, 4'-Deoxy, 1'-O-(3-methyl-2-butenoyl) C21H24O6 372.157288 NA MeJP NA NA +MJ048488 2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol, 3,4-Methylene, 3',5'-di-Me ether C21H24O6 372.157288 NA MeJP NA NA +MJ048489 3',4,4',5,9-Pentahydroxy-9,9'-epoxy-2,7'-cyclolignan, 3',5,9-Tri-Me ether C21H24O6 372.157288 NA MeJP NA NA +MJ048490 3'-O-Demethyldenudanolide B; 3',4'-Di-Me ether C21H24O6 372.157288 NA MeJP NA NA +MJ048491 3,3',4,4',7'-Pentahydroxy-7,9'-epoxylignan, 3,4-Methylene, 3',4'-di-Me ether C21H24O6 372.157288 NA MeJP NA NA +MJ048492 3,3',4,4',9,9'-Hexahydroxylign-7-ene, 3',4'-Methylene, 3,4-di-Me-ether C21H24O6 372.157288 NA MeJP NA NA +MJ048493 3,3',4,4',9,9'-Hexahydroxylign-7-ene, 3,4-Methylene, 3',4'-di-Me ether C21H24O6 372.157288 NA MeJP NA NA +MJ048494 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3',4'-Methylene, 3,4-di-Me ether C21H24O6 372.157288 NA MeJP NA NA +MJ048495 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,4-Methylene, 3',4'-di-Me ether C21H24O6 372.157288 NA MeJP NA NA +MJ048496 3,3',4,4',9-Pentahydroxy-9,9'-epoxylignan, 3',4'-Methylene, 3,4-di-Me ether C21H24O6 372.157288 NA MeJP NA NA +MJ048497 3,3',4,4',9-Pentahydroxy-9,9'-epoxylignan, 3,4-Methylene, 3',4'-di-Me ether C21H24O6 372.157288 NA MeJP NA NA +MJ048498 3,3',4,4',9-Pentahydroxy-9,9'-epoxylignan, 3',4'-Methylene, 3,4-di-Me ether C21H24O6 372.157288 NA MeJP NA NA +MJ048499 3,3',4,4'-Tetrahydroxylignan-9,9'-olide, 3',4,4'-Tri-Me ether C21H24O6 372.157288 NA MeJP NA NA +MJ048500 3,4,4',5,7-Pentahydroxy-8-prenylflavan, 5-Me ether C21H24O6 372.157288 NA MeJP NA NA +MJ048501 3,6-Dihydro-3,3',4,4',7-pentahydroxy-3,8'-bilign-8-en-6-one, 3',4'-Methylene, 3,4-di-Me ether C21H24O6 372.157288 NA MeJP NA NA +MJ048502 3,6:7,8-Diepoxy-3,5,11,15-cembratetraen-20,10-olid-18-oic acid, Me ester C21H24O6 372.157288 NA MeJP NA NA +MJ048503 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Methyl-2-propenoyl), 3-Ac C21H24O6 372.157288 NA MeJP NA NA +MJ048504 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(2-Methylbutanoyl) C21H24O6 372.157288 NA MeJP NA NA +MJ048505 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(3-Methylbutanoyl) C21H24O6 372.157288 NA MeJP NA NA +MJ048506 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(2-Methylbutanoyl) C21H24O6 372.157288 NA MeJP NA NA +MJ048507 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(3-Methylbutanoyl) C21H24O6 372.157288 NA MeJP NA NA +MJ048508 6-Allyl-3,6-dimethoxy-4-[2-hydroxy-1-methyl-2-(3,4-methylenedioxyphenyl)]-2,4-cyclohexadien-1-one C21H24O6 372.157288 NA MeJP NA NA +MJ048509 8,9-Dihydroxy-1(10),2,4(15),11(13)-guaiatetraen-12,6-olide, 8-(Methylpropanoyl), 9-Ac C21H24O6 372.157288 NA MeJP NA NA +MJ048510 Antibiotic FD 885 C21H24O6 372.157288 NA MeJP NA NA +MJ048511 Arctigenin C21H24O6 372.157288 NA MeJP NA NA +MJ048512 Aremenin C C21H24O6 372.157288 NA MeJP NA NA +MJ048513 Armenin B C21H24O6 372.157288 NA MeJP NA NA +MJ048514 Bergamottin; 6',7'-Dihydro, 6',7'-dihydroxy C21H24O6 372.157288 NA MeJP NA NA +MJ048515 Carinatol; 7-Ketone, 9-hydroxy C21H24O6 372.157288 NA MeJP NA NA +MJ048516 Dysodanthin A C21H24O6 372.157288 NA MeJP NA NA +MJ048517 Eusiderin A; 3'-O-De-Me C21H24O6 372.157288 NA MeJP NA NA +MJ048518 Eusiderin A; 4'-O-De-Me C21H24O6 372.157288 NA MeJP NA NA +MJ048519 Eusiderin M; 9-Deoxy, O4'-de-Me C21H24O6 372.157288 NA MeJP NA NA +MJ048520 Fargesone A C21H24O6 372.157288 NA MeJP NA NA +MJ048521 Gaultherin C; 3-Demethoxy C21H24O6 372.157288 NA MeJP NA NA +MJ048522 Gorgiacerodiol; 12-Deoxy C21H24O6 372.157288 NA MeJP NA NA +MJ048523 Guayarol; 3'-Me ether C21H24O6 372.157288 NA MeJP NA NA +MJ048524 Haplomitrenolide A; 20-Carboxylic acid, Me ester C21H24O6 372.157288 NA MeJP NA NA +MJ048525 Kadsurin B; 6-Ketone C21H24O6 372.157288 NA MeJP NA NA +MJ048526 Licoriphenone C21H24O6 372.157288 NA MeJP NA NA +MJ048527 Monankarin C C21H24O6 372.157288 NA MeJP NA NA +MJ048528 Myricanol; 13-Oxo C21H24O6 372.157288 NA MeJP NA NA +MJ048529 Myricanol; Ketone, 12-hydroxy C21H24O6 372.157288 NA MeJP NA NA +MJ048530 Penicillide C21H24O6 372.157288 NA MeJP NA NA +MJ048531 Phillygenin C21H24O6 372.157288 NA MeJP NA NA +MJ048532 Rishirilide B C21H24O6 372.157288 NA MeJP NA NA +HMDB05789 Tetrahydrocurcumin C21H24O6 372.15729 http://www.hmdb.ca/metabolites/HMDB05789 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05789 Tetrahydrocurcumin C21H24O6 372.15729 http://www.hmdb.ca/metabolites/HMDB05789 HMDB NA NA +HMDB05789 Tetrahydrocurcumin C21H24O6 372.15729 http://www.hmdb.ca/metabolites/HMDB05789 PFEM_hmdb_metabocards_blood NA blood +HMDB05789 Tetrahydrocurcumin C21H24O6 372.15729 HMDB05789 PFEM_hmdb_metabocards_official NA NA +C10545 (-)-Arctigenin C21H24O6 372.1573 NA KEGG NA NA +C10563 Fargesone A C21H24O6 372.1573 NA KEGG NA NA +C10640 Kadsurin A C21H24O6 372.1573 NA KEGG NA NA +MJ048533 Cyclo(tryptophyltryptophyl) C22H20N4O2 372.158625 NA MeJP NA NA +MJ048534 Ecenofloxacin C19H21FN4O3 372.159768 NA MeJP NA NA +MJ048535 1-[5-(4-Chlorobenzoyl)-1,2,4-trimethyl-1H-pyrrol-3-yl]-2-(1-piperidinyl)ethanone C21H25ClN2O2 372.160455 NA MeJP NA NA +MJ048536 4-(Chloromethyl)-2,16-didehydro-16-(methoxycarbonyl)condyfolanium C21H26ClN2O2(+) 372.160455 NA MeJP NA NA +MJ048537 Clavamycin F C15H24N4O7 372.164499 NA MeJP NA NA +C17395 Clavamycin F C15H24N4O7 372.1645 NA KEGG NA NA +PJ000615 PQE C15H24N4O7 372.1645 NA PeJP NA NA +8039 synthetic peptide PWA 372.168 antibacterial Inhouse_peptide NA peptide +MJ048538 Codoxime C20H24N2O5 372.168521 NA MeJP NA NA +MJ048539 Diamfenetide C20H24N2O5 372.168521 NA MeJP NA NA +MJ048540 Medroxalol C20H24N2O5 372.168521 NA MeJP NA NA +MJ048541 Aminoquinuride C21H20N6O 372.169859 NA MeJP NA NA +C14955 17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate C22H28O3S 372.1759 NA KEGG NA NA +MJ048542 2-Methyl-6-methylene-2-octene-1,8-diol, 1-Aldehyde, 8-O-(2-acetyl-?-D-glucopyranoside) C18H28O8 372.178417 NA MeJP NA NA +MJ048543 6-(1-Methylpropyl)-1,2,4-benzenetriol, 2,4-Di-Me ether, 1-O-?-D-glucopyranoside C18H28O8 372.178417 NA MeJP NA NA +MJ048544 Cinatrin A; 9',10'-Dihydro C18H28O8 372.178417 NA MeJP NA NA +MJ048545 Pyroglutamylphenylalanylprolinamide C19H24N4O4 372.179755 NA MeJP NA NA +PJ000616 APW C19H24N4O4 372.1798 NA PeJP NA NA +C07677 Acebutolol hydrochloride C18H28N2O4 372.1816 NA KEGG NA NA +C07678 Transferred to D00598 C18H28N2O4 372.1816 NA KEGG NA NA +C07679 Transferred to D00599 C18H28N2O4 372.1816 NA KEGG NA NA +C07680 Transferred to D00600 C18H28N2O4 372.1816 NA KEGG NA NA +C07681 Transferred to D00601 C18H28N2O4 372.1816 NA KEGG NA NA +C07682 Transferred to D00602 C18H28N2O4 372.1816 NA KEGG NA NA +C07683 Transferred to D00603 C18H28N2O4 372.1816 NA KEGG NA NA +C07684 Transferred to D00604 C18H28N2O4 372.1816 NA KEGG NA NA +C07685 Transferred to D00605 C18H28N2O4 372.1816 NA KEGG NA NA +C07686 Transferred to D00606 C18H28N2O4 372.1816 NA KEGG NA NA +C07687 Transferred to D00607 C18H28N2O4 372.1816 NA KEGG NA NA +C07688 Transferred to D00608 C18H28N2O4 372.1816 NA KEGG NA NA +C07689 Transferred to D00609 C18H28N2O4 372.1816 NA KEGG NA NA +C07690 Transferred to D00610 C18H28N2O4 372.1816 NA KEGG NA NA +C07691 Transferred to D00611 C18H28N2O4 372.1816 NA KEGG NA NA +C07692 Transferred to D00612 C18H28N2O4 372.1816 NA KEGG NA NA +C05552 N6-D-Biotinyl-L-lysine C16H28N4O4S 372.1831 NA KEGG NA NA +MJ048546 Biocytin C16H28N4O4S 372.183126 NA MeJP NA NA +HMDB03134 Biocytin C16H28N4O4S 372.183136 NA HMDB2010 NA NA +HMDB03134 Biocytin C16H28N4O4S 372.18314 http://www.hmdb.ca/metabolites/HMDB03134 HMDB NA NA +HMDB03134 Biocytin C16H28N4O4S 372.18314 HMDB03134 PFEM_hmdb_metabocards_official NA NA +8280 Antioxidative peptide NPYVPR 372.18945 MH2+ Inhouse_peptide NA peptide +MJ048547 Lascivol C17H28N2O7 372.189651 NA MeJP NA NA +MJ048548 1-Hydroxy-2,6-humuladien-15-al; 15-Carboxylic acid, 6?,10?-epoxide, benzoyl C22H28O5 372.193674 NA MeJP NA NA +MJ048549 1-Hydroxy-2,6-humuladien-15-al; 15-Carboxylic acid, 6?,10?-epoxide, benzoyl C22H28O5 372.193674 NA MeJP NA NA +MJ048550 11,15-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 3?-Acetoxy C22H28O5 372.193674 NA MeJP NA NA +MJ048551 11,17,21-Trihydroxy-16-methylenepregna-4,6-diene-3,20-dione C22H28O5 372.193674 NA MeJP NA NA +MJ048552 14-Hydroxy-15-oxo-3,5(10),11-cyathatrien-17-oic acid; 14?-form, Ac C22H28O5 372.193674 NA MeJP NA NA +MJ048553 14-Nor-7-protoilludene-5,6-diol, 5-(2,4-Dihydroxy-6-methylbenzoyl) C22H28O5 372.193674 NA MeJP NA NA +MJ048554 15,16-Epoxy-12-hydroxy-3,13(16),14-clerodatrien-18,19-olide, Ac C22H28O5 372.193674 NA MeJP NA NA +MJ048555 15,16-Epoxy-19-hydroxy-1,3,13(16),14-clerodatetraen-18-oic acid; ent-form, Ac C22H28O5 372.193674 NA MeJP NA NA +MJ048556 16-Hydroxy-7-oxo-5-kauren-19,6-olide, Ac C22H28O5 372.193674 NA MeJP NA NA +MJ048557 17,21-Dihydroxy-16-methylpregna-1,4-diene-3,11,20-trione; 16?-form C22H28O5 372.193674 NA MeJP NA NA +MJ048558 18-Hydroxy-19-oxo-1(9),6,13-xenicatrien-17,18-olide; 12,15-Didehydro, Ac C22H28O5 372.193674 NA MeJP NA NA +MJ048559 19-Acetoxyseconidoresedaic acid C22H28O5 372.193674 NA MeJP NA NA +MJ048560 2,3',4',5-Tetrahydroxy-7,7'-epoxylignan, Tetra-Me ether C22H28O5 372.193674 NA MeJP NA NA +MJ048561 2,4-Dihydroxy-6-pentylbenzoic acid; 3-Methoxy-5-propylphenyl ester C22H28O5 372.193674 NA MeJP NA NA +MJ048562 2,4-Dihydroxy-6-propylbenzoic acid; 4-Me ether, 3-hydroxy-5-pentylphenyl ester C22H28O5 372.193674 NA MeJP NA NA +MJ048563 3,3',4,4'-Tetramethoxy-7,7'-epoxylignan C22H28O5 372.193674 NA MeJP NA NA +MJ048564 3,4-Bis(3,4-dimethoxybenzyl)tetrahydrofuran C22H28O5 372.193674 NA MeJP NA NA +MJ048565 3-(10-Hydroxygeranyl)-p-coumaric acid, 4-Me ether, 10'-Ac C22H28O5 372.193674 NA MeJP NA NA +MJ048566 3-(4-Hydroxygeranyl)-p-coumaric acid, 4-Me ether, 4'-Ac C22H28O5 372.193674 NA MeJP NA NA +MJ048567 4,6-Dihydroxy-7-daucen-9-one, 6-(4-Hydroxybenzoyl) C22H28O5 372.193674 NA MeJP NA NA +MJ048568 4,6-Dihydroxy-8-daucen-10-one, 6-(4-Hydroxybenzoyl) C22H28O5 372.193674 NA MeJP NA NA +MJ048569 4,6-Dihydroxy-8-daucen-2-one, 6-(4-Hydroxybenzoyl) C22H28O5 372.193674 NA MeJP NA NA +MJ048570 6,7-Dihydroxy-17-vouacapanoic acid, 17?7 Lactone, 6-Ac C22H28O5 372.193674 NA MeJP NA NA +MJ048571 7,14-Dihydroxy-1,16-kauradiene-3,15-dione, 14-Ac C22H28O5 372.193674 NA MeJP NA NA +MJ048572 7,14-Dihydroxy-1,16-kauradiene-3,15-dione, 7-Ac C22H28O5 372.193674 NA MeJP NA NA +MJ048573 8-Daucene-4,6,14-triol, 14-Aldehyde, 6-(4-hydroxybenzoyl) C22H28O5 372.193674 NA MeJP NA NA +MJ048574 9,20-Dihydroxy-1,6,14-rhamnofolatriene-3,13-dione, 20-Ac C22H28O5 372.193674 NA MeJP NA NA +MJ048575 Brialmontin 2; Me ether C22H28O5 372.193674 NA MeJP NA NA +MJ048576 Cadlinolide B; 11,12,13,14-Tetradehydro, Ac (16?-) C22H28O5 372.193674 NA MeJP NA NA +MJ048577 Calanolide A; 10,11-Diepimer, 7,8-dihydro C22H28O5 372.193674 NA MeJP NA NA +MJ048578 Clavulolactone II C22H28O5 372.193674 NA MeJP NA NA +MJ048579 Crinipellin A; 9-Ac C22H28O5 372.193674 NA MeJP NA NA +MJ048580 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-(3-Carboxypropanoyl) C22H28O5 372.193674 NA MeJP NA NA +MJ048581 Flabellata secoclerodane C22H28O5 372.193674 NA MeJP NA NA +MJ048582 Furanoeremophil-1(10)-ene-3,6-diol, 6-(3-Methyl-2-butenoyl), 3-Ac C22H28O5 372.193674 NA MeJP NA NA +MJ048583 Furanoeremophil-1(10)-ene-3,6-diol, 6-Angeloyl, 3-Ac C22H28O5 372.193674 NA MeJP NA NA +MJ048584 Furanoeremophil-1(10)-ene-3,6-diol, 6-Tigloyl, 3-Ac C22H28O5 372.193674 NA MeJP NA NA +MJ048585 Hancinol C22H28O5 372.193674 NA MeJP NA NA +MJ048586 Isomammein C22H28O5 372.193674 NA MeJP NA NA +MJ048587 Lancifolin A; 4-Me ether C22H28O5 372.193674 NA MeJP NA NA +MJ048588 Lancifolin A; Enantiomer, Me ether C22H28O5 372.193674 NA MeJP NA NA +MJ048589 Lomatin, O-Octanoyl C22H28O5 372.193674 NA MeJP NA NA +MJ048590 Malabaricone A; 3'-Methoxy, 4'-hydroxy C22H28O5 372.193674 NA MeJP NA NA +MJ048591 Mammea B/AB C22H28O5 372.193674 NA MeJP NA NA +MJ048592 Mammea B/BA C22H28O5 372.193674 NA MeJP NA NA +MJ048593 Neomammein C22H28O5 372.193674 NA MeJP NA NA +MJ048594 Prednylidene C22H28O5 372.193674 NA MeJP NA NA +MJ048595 Pyrethrin II C22H28O5 372.193674 NA MeJP NA NA +MJ048596 Recedensolide C22H28O5 372.193674 NA MeJP NA NA +MJ048597 Tridachiapyrone E; 9,10?-Dihydro, 9-oxo C22H28O5 372.193674 NA MeJP NA NA +MJ048598 Turriculoic acid D C22H28O5 372.193674 NA MeJP NA NA +C09894 Pyrethrin II C22H28O5 372.1937 NA KEGG NA NA +C10879 Saucernetin C22H28O5 372.1937 NA KEGG NA NA +C10892 (+)-Veraguensin C22H28O5 372.1937 NA KEGG NA NA +MJ048599 4-Thiaprostacyclin-1 C19H32O5S 372.197044 NA MeJP NA NA +MJ048600 Alcaligin; 8,18-Dideoxy C16H28N4O6 372.200884 NA MeJP NA NA +C03326 (Ac)2-L-Lys-D-Ala-D-Ala C16H28N4O6 372.2009 NA KEGG NA NA +PJ000617 PKE C16H28N4O6 372.2009 NA PeJP NA NA +MJ048601 20-Hydroxycylindrocarine C21H28N2O4 372.204907 NA MeJP NA NA +MJ048602 3,4-Diethoxy-N-[4-[2-(methylamino)ethoxy]benzyl]benzamide C21H28N2O4 372.204907 NA MeJP NA NA +MJ048603 Rhyncophylline, 7-Epimer, demethoxy, 16,17-dihydro, N-oxide C21H28N2O4 372.204907 NA MeJP NA NA +MJ048604 Spegazzinine; 16-Hydroxy C21H28N2O4 372.204907 NA MeJP NA NA +MJ048605 7-Chloro-10,11-epoxy-4(16)-dolabellene-8,17,18-triol C20H33ClO4 372.206737 NA MeJP NA NA +PJ000618 PTR C15H28N6O5 372.2121 NA PeJP NA NA +MJ048606 2-Hydroxy-5-megastigmen-9-one, O-?-D-Glucopyranoside C19H32O7 372.214803 NA MeJP NA NA +MJ048607 4,7-Megastigmadiene-3,9-diol, 9-O-?-D-Glucopyranoside C19H32O7 372.214803 NA MeJP NA NA +MJ048608 5-Megastigmene-3,9-diol, 9-Ketone, 3-O-?-D-glucopyranoside C19H32O7 372.214803 NA MeJP NA NA +MJ048609 7-Megastigmene-3,9-diol, 9-Ketone, 3-O-?-D-glucopyranoside C19H32O7 372.214803 NA MeJP NA NA +MJ048610 9-Hydroxy-4-megastigmen-3-one, O-?-D-Glucopyranoside C19H32O7 372.214803 NA MeJP NA NA +MJ048611 9-Hydroxy-5-megastigmen-4-one, 9-O-?-D-Glucopyranoside C19H32O7 372.214803 NA MeJP NA NA +MJ048612 9-Hydroxy-7-megastigmen-3-one; O-?-D-Glucopyranoside C19H32O7 372.214803 NA MeJP NA NA +MJ048613 Myriaporone 3 C19H32O7 372.214803 NA MeJP NA NA +MJ048614 Myriaporone 4 C19H32O7 372.214803 NA MeJP NA NA +MJ048615 Picrionoside B; 9-Ketone C19H32O7 372.214803 NA MeJP NA NA +MJ048616 Kalihinene; 1-Epimer, 15-isothiocyanate C22H32N2OS 372.223534 NA MeJP NA NA +MJ048617 Antibiotic TMC 96 C18H32N2O6 372.226036 NA MeJP NA NA +MJ048618 Bengamide Z; 6-Deoxy C18H32N2O6 372.226036 NA MeJP NA NA +MJ048619 3-Hydroxy-3-(trifluoromethyl)-19-norpregnan-20-one C21H31F3O2 372.227614 NA MeJP NA NA +MJ048620 1,4-Epoxy-6-eudesmanol, 6-(4-Methoxybenzoyl) C23H32O4 372.230059 NA MeJP NA NA +MJ048621 1-(2,4-Dihydroxyphenyl)-2-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrien-1-one C23H32O4 372.230059 NA MeJP NA NA +MJ048622 11,12-Dihydroxy-6,8,11,13-abietatetraen-20-oic acid; Di-Me ether, Me ester C23H32O4 372.230059 NA MeJP NA NA +MJ048623 14,15-Epoxy-3-hydroxycard-20(22)-enolide C23H32O4 372.230059 NA MeJP NA NA +MJ048624 17-Hydroxypregn-4-ene-3,20-dione, Ac C23H32O4 372.230059 NA MeJP NA NA +MJ048625 2',4',6'-Trihydroxyacetophenone; 4'-O-(3,7,11-Trimethyl-2,6,10-dodecatrienyl) C23H32O4 372.230059 NA MeJP NA NA +MJ048626 2,4,6-Trihydroxy-3-prenylacetophenone; 2-O-(2,7-Dimethyl-2,6-octadienyl)(E-) C23H32O4 372.230059 NA MeJP NA NA +MJ048627 2,4,6-Trihydroxy-3-prenylacetophenone; 4-O-(3,7-Dimethyl-2,6-octadienyl) C23H32O4 372.230059 NA MeJP NA NA +MJ048628 2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone; 8',9',11',12',14',15'-Hexadehydro(all-Z), 5-Et ether C23H32O4 372.230059 NA MeJP NA NA +MJ048629 2-(3,7-Dimethyl-2,6-octadienyl)-6-(3-methyl-2-butenyl)-1,3,5-benzenetriol, 1-Ac C23H32O4 372.230059 NA MeJP NA NA +MJ048630 20-Hydroxypregn-4-ene-3,16-dione, Ac C23H32O4 372.230059 NA MeJP NA NA +MJ048631 21-Hydroxypregn-4-ene-3,20-dione; Ac C23H32O4 372.230059 NA MeJP NA NA +MJ048632 3'-Farnesyl-2',4',6'-trihydroxyacetophenone C23H32O4 372.230059 NA MeJP NA NA +MJ048633 3,14-Dihydroxycarda-16,20(22)-dienolide C23H32O4 372.230059 NA MeJP NA NA +MJ048634 3,14-Dihydroxycarda-4,20(22)-dienolide C23H32O4 372.230059 NA MeJP NA NA +MJ048635 3,14-Dihydroxycarda-5,20(22)-dienolide C23H32O4 372.230059 NA MeJP NA NA +MJ048636 3,15-Dihydroxycarda-16,20(22)-dienolide C23H32O4 372.230059 NA MeJP NA NA +MJ048637 3,6-Dihydroxy-2-(1-oxo-11-phenylundecyl)-3-cyclohexen-1-one C23H32O4 372.230059 NA MeJP NA NA +MJ048638 3-Eudesmene-1,6-diol, 6-(4-Methoxybenzoyl) C23H32O4 372.230059 NA MeJP NA NA +MJ048639 4-Hydroxy-2-(11-phenylundecanoyl)-1,3-cyclohexanedione C23H32O4 372.230059 NA MeJP NA NA +MJ048640 6,7-Epoxy-2-humulen-1-ol, (4-Methoxybenzoyl) C23H32O4 372.230059 NA MeJP NA NA +MJ048641 6-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1,2,4-benzenetriol; 4-Ac C23H32O4 372.230059 NA MeJP NA NA +MJ048642 7,10-Epoxy-4-germacren-6-ol, O-(4-Methoxybenzoyl) C23H32O4 372.230059 NA MeJP NA NA +MJ048643 7-Drimene-6,9,11-triol, 11-Aldehyde, 6-O-(2,4,6-octatrienoyl)(E,E,E-) C23H32O4 372.230059 NA MeJP NA NA +MJ048644 8,11,13-Abietatrien-19-ol; 19-(Carboxyacetyl) C23H32O4 372.230059 NA MeJP NA NA +MJ048645 8,11,13-Abietatrien-2-ol; 2?-form, Malonoyl ester C23H32O4 372.230059 NA MeJP NA NA +MJ048646 8,14-Epoxy-3-hydroxycard-20(22)-enolide C23H32O4 372.230059 NA MeJP NA NA +MJ048647 8-Daucene-4,6-diol, 6-(4-Methoxybenzoyl) C23H32O4 372.230059 NA MeJP NA NA +MJ048648 8-Daucene-5,10-diol, 10-(4-Methoxybenzoyl) C23H32O4 372.230059 NA MeJP NA NA +MJ048649 Ascochlorin; 4',5'-Dihydro, dechloro C23H32O4 372.230059 NA MeJP NA NA +MJ048650 Asperugin C C23H32O4 372.230059 NA MeJP NA NA +MJ048651 Avarol; 6'-Acetoxy C23H32O4 372.230059 NA MeJP NA NA +MJ048652 Avarol; 6'-Hydroxy, 5'-Ac C23H32O4 372.230059 NA MeJP NA NA +MJ048653 Grifolic acid C23H32O4 372.230059 NA MeJP NA NA +MJ048654 Hongoquercin B; Deacetoxy C23H32O4 372.230059 NA MeJP NA NA +MJ048655 Hyrtiophenol; 18-Hydroxy C23H32O4 372.230059 NA MeJP NA NA +MJ048656 Hyrtiophenol; 5-Epimer, 18-hydroxy C23H32O4 372.230059 NA MeJP NA NA +MJ048657 Isospongiaquinone; 5-Epimer, 3'-O-de-Me, 3'-O-Et C23H32O4 372.230059 NA MeJP NA NA +MJ048658 Metachromin B C23H32O4 372.230059 NA MeJP NA NA +MJ048659 Norgestomet C23H32O4 372.230059 NA MeJP NA NA +MJ048660 Oleagenin C23H32O4 372.230059 NA MeJP NA NA +MJ048661 Pelorol C23H32O4 372.230059 NA MeJP NA NA +MJ048662 Plakinic acid A C23H32O4 372.230059 NA MeJP NA NA +MJ048663 Polycerasoidol; Me ether C23H32O4 372.230059 NA MeJP NA NA +MJ048664 Prorenoate C23H32O4 372.230059 NA MeJP NA NA +MJ048665 Scutigeral C23H32O4 372.230059 NA MeJP NA NA +MJ048666 Siphonodictyoic acid; Me ester C23H32O4 372.230059 NA MeJP NA NA +MJ048667 Smenorthoquinone C23H32O4 372.230059 NA MeJP NA NA +MJ048668 Stachybotral C23H32O4 372.230059 NA MeJP NA NA +MJ048669 Stachybotrydial; 7'-Deoxo C23H32O4 372.230059 NA MeJP NA NA +C14554 Deoxycorticosterone acetate C23H32O4 372.2301 NA KEGG NA NA +C14635 16alpha,17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate C23H32O4 372.2301 NA KEGG NA NA +C15333 3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate C23H32O4 372.2301 NA KEGG NA NA +MJ048670 Aspergillus oryzae Cysteine protease inhibitors; CPI 4 C17H32N4O5 372.23727 NA MeJP NA NA +PJ000619 LLQ C17H32N4O5 372.2373 NA PeJP NA NA +MJ048671 Mociprazine C22H32N2O3 372.241292 NA MeJP NA NA +MJ048672 Racemulosine C22H32N2O3 372.241292 NA MeJP NA NA +PJ000620 VVR C16H32N6O4 372.2485 NA PeJP NA NA +MJ048673 1,2,3-Heptadecanetricarboxylic acid C20H36O6 372.251188 NA MeJP NA NA +MJ048674 14-Hydroxy-12,13-dihydrosesquiterpineol; 14-O-Xylopyranoside C20H36O6 372.251188 NA MeJP NA NA +MJ048675 5,6-Dihydroxyhexadecanoic acid, Di-Ac C20H36O6 372.251188 NA MeJP NA NA +MJ048676 9,11,15,19-Tetrahydroxy-13-prostenoic acid C20H36O6 372.251188 NA MeJP NA NA +C11989 8,8a-Deoxyoleandolide C20H36O6 372.2512 NA KEGG NA NA +3361 ACE inhibitor from sardine LKL 372.262 celiac toxic Inhouse_peptide NA peptide +8107 peptide derived from dried bonito IKL 372.262 ACE inhibitor Inhouse_peptide NA peptide +MJ048677 Lipoxamycin C19H36N2O5 372.262422 NA MeJP NA NA +CJpos0779 Cholic acid [(M+H)-2(H2O)]+ C24H37O3 372.265875 C18rt(min)=9.25 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0779 Cholic acid [(M+H)-2(H2O)]+ C24H37O3 372.265875 C18rt(min)=9.25 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C15057 3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate C24H36O3 372.2664 NA KEGG NA NA +MJ048678 16-Hydroxy-22,23,24,25,26,27-hexanorcycloartane-3,20-dione C24H36O3 372.266445 NA MeJP NA NA +MJ048679 17-Hydroxyestr-4-en-3-one; 17?-form, Hexanoyl C24H36O3 372.266445 NA MeJP NA NA +MJ048680 2-Heptadecyl-6-hydroxybenzoic acid; 8',9',11',12'-Tetradehydro(Z,Z-) C24H36O3 372.266445 NA MeJP NA NA +MJ048681 3,4-Dihydro-8-hydroxy-3-(6-pentadecenyl)-1H-2-benzopyran-1-one C24H36O3 372.266445 NA MeJP NA NA +MJ048682 4,8-Dihydro-7-methoxy-6,6',6',8,8-pentamethyl-4-(1-methylethyl)spiro[2H-1-benzopyran-2,2'-bicyclo[3.1.1]heptan]-5(3H)-one C24H36O3 372.266445 NA MeJP NA NA +MJ048683 5-Hydroxy-2-pentadecyl-4H-1-benzopyran-4-one C24H36O3 372.266445 NA MeJP NA NA +MJ048684 Anagestone; 17-Ac C24H36O3 372.266445 NA MeJP NA NA +MJ048685 Nabilone C24H36O3 372.266445 NA MeJP NA NA +HMDB13627 Cervonoyl ethanolamide C24H36O3 372.266449 NA HMDB2010 NA NA +PJ000621 LLK C18H36N4O4 372.2737 NA PeJP NA NA +MJ048686 Finasteride C23H36N2O2 372.277678 NA MeJP NA NA +HMDB01984 Finasteride C23H36N2O2 372.277679 NA HMDB2010 NA NA +HMDB01984 Finasteride C23H36N2O2 372.27768 http://www.hmdb.ca/metabolites/HMDB01984 HMDB NA NA +HMDB01984 Finasteride C23H36N2O2 372.27768 HMDB01984 PFEM_hmdb_metabocards_official NA NA +MJ048687 1-Phenyl-1,3-nonadecanedione C25H40O2 372.30283 NA MeJP NA NA +MJ048688 19-Nor-15-prenyl-8,13,15-labdatrien-18-oic acid; Me ester C25H40O2 372.30283 NA MeJP NA NA +MJ048689 2,4,16-Pentacosatriyne-1,6-diol C25H40O2 372.30283 NA MeJP NA NA +MJ048690 2,7,18-Ophiobolatriene-20,24-diol C25H40O2 372.30283 NA MeJP NA NA +MJ048691 3(20),7,18-Ophiobolatrien-24-ol, 7?,8?-Epoxide C25H40O2 372.30283 NA MeJP NA NA +MJ048692 3-Hydroxy-23,24,25,26,27-pentanorcucurbit-5-en-22-al C25H40O2 372.30283 NA MeJP NA NA +MJ048693 Campnospermonol C25H40O2 372.30283 NA MeJP NA NA +MJ048694 Dysideapalaunic acid C25H40O2 372.30283 NA MeJP NA NA +MJ048695 Igernellin C25H40O2 372.30283 NA MeJP NA NA +MJ048696 Variculanol C25H40O2 372.30283 NA MeJP NA NA +MJ048697 Conessine; 7?-Hydroxy C24H40N2O 372.314063 NA MeJP NA NA +MJ048698 Holarrhenine C24H40N2O 372.314063 NA MeJP NA NA +MJ048699 Malouphyllamine C24H40N2O 372.314063 NA MeJP NA NA +MJ048700 Pubescimine C24H40N2O 372.314063 NA MeJP NA NA +MJ048701 Stellettamide B C24H41N2O(+) 372.314063 NA MeJP NA NA +MJ048702 2,3-Dihydroxydocosanoic acid C22H44O4 372.323959 NA MeJP NA NA +MJ048703 Antibiotic AKD 2; Antibiotic AKD 2B1 C22H44O4 372.323959 NA MeJP NA NA +MJ048704 Antibiotic AKD 2; Antibiotic AKD 2B2 C22H44O4 372.323959 NA MeJP NA NA +C15292 A-Nor-5alpha-cholestan-2-one C26H44O 372.3392 NA KEGG NA NA +C15378 B-Norcholesterol C26H44O 372.3392 NA KEGG NA NA +MJ048705 19-Norcholest-5-en-3-ol C26H44O 372.339216 NA MeJP NA NA +MJ048706 19-Norcholestan-3-ol, 22,23-Didehydro C26H44O 372.339216 NA MeJP NA NA +MJ048707 26,27-Dinorergost-22-en-3-ol C26H44O 372.339216 NA MeJP NA NA +C10813 Kurchessine C25H44N2 372.3504 NA KEGG NA NA +MJ048708 Pregn-5-ene-3,20-diamine, N3,N3,N20,N20-Tetra-Me C25H44N2 372.350449 NA MeJP NA NA +MJ048709 1,3,5,18-Heptacosatetraene C27H48 372.375601 NA MeJP NA NA +MJ048710 Diacholestane C27H48 372.375601 NA MeJP NA NA +MJ048711 Secohopane IV C27H48 372.375601 NA MeJP NA NA +MJ048712 Homohexamine C20H48N6 372.394045 NA MeJP NA NA +MJ048713 Homopentamine; N10-(4-Aminobutyl) C20H48N6 372.394045 NA MeJP NA NA +MJ048714 Homopentamine; N5-(4-Aminobutyl) C20H48N6 372.394045 NA MeJP NA NA +MJ048715 Homospermine; N5,N10-Bis(4-aminobutyl) C20H48N6 372.394045 NA MeJP NA NA +3321 NA KIPYIL 372.7305 MH2+ Inhouse_peptide NA peptide +MJ048716 4-(3-Indolylmethyl)-7-(2-methylpropyl)-1,2,3,5,6-pentathiepane C15H19NS5 373.012103 NA MeJP NA NA +MJ048717 Keronopsin B1 C18H16BrNO3 373.031356 NA MeJP NA NA +MJ048718 (Thiocyanato-S)(triethylphosphine)gold C7H15AuNPS 373.032833 NA MeJP NA NA +MJ048719 Reclazepam C18H13Cl2N3O2 373.038482 NA MeJP NA NA +MJ048720 Irazepine C18H13ClFN3OS 373.045188 NA MeJP NA NA +C08415 Gluconapin C11H19NO9S2 373.0501 NA KEGG NA NA +MJ048721 3-Butenyl glycosinolate C11H19NO9S2 373.050122 NA MeJP NA NA +MJ048722 Arcyroxocin A; N6,2-Dihydroxy C20H11N3O5 373.06987 NA MeJP NA NA +MJ048723 Galosemide C15H14F3N3O3S 373.070796 NA MeJP NA NA +MJ048724 Serfibrate C16H20ClNO5S 373.075071 NA MeJP NA NA +C16698 N-Acetylmuramic acid 6-phosphate C11H20NO11P 373.0774 NA KEGG NA NA +C15551 CV 2961 C16H17ClN3O4 373.0805 NA KEGG NA NA +MJ048725 Cephalosporin C; O-De-Ac C14H19N3O7S 373.09437 NA MeJP NA NA +MJ048726 Deacetylcephalosporin C C14H19N3O7S 373.09437 NA MeJP NA NA +MetaCyc03247 deacetylcephalosporin-C [] C14H19N3O7S1 373.094371 1476-46-6 metacyc NA NA +C03112 Deacetylcephalosporin C C14H19N3O7S 373.0944 NA KEGG NA NA +MJ048727 2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one, N-Hydroxy, O7-Me, 2-O-?-D-glucopyranoside C15H19NO10 373.100895 NA MeJP NA NA +MetaCyc03248 DIMBOA-Glc [DIMBOA-glucoside;2-(2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one)-β-D-glucopyranose;] C15H19N1O10 373.100896 NA metacyc NA NA +MetaCyc03249 2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one2-D-glucoside [] C15H19N1O10 373.100896 NA metacyc NA NA +C04831 DIMBOA-glucoside C15H19NO10 373.1009 NA KEGG NA NA +C15768 (2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4- C15H19NO10 373.1009 NA KEGG NA NA +MJ048728 3,4-Dihydro-7-(1H-imidazol-1-yl)-6-nitro-2,3-dioxo-1(2H)-quinoxalinepentanoic acid C16H15N5O6 373.102233 NA MeJP NA NA +PJ000622 CDH C13H19N5O6S 373.1056 NA PeJP NA NA +MJ048729 1-[(4-Chlorophenyl)methyl]-5-fluoro-?,?,3-trimethyl-1H-indole-2-propanoic acid C21H21ClFNO2 373.124484 NA MeJP NA NA +C07403 Prochlorperazine C20H24ClN3S 373.1379 NA KEGG NA NA +MJ048730 Prochlorperazine C20H24ClN3S 373.137946 NA MeJP NA NA +MJ048731 Adenosine; 6N-(2-Hydroxybenzyl) C17H19N5O5 373.138618 NA MeJP NA NA +MJ048732 Adenosine; 6N-(3-Hydroxybenzyl) C17H19N5O5 373.138618 NA MeJP NA NA +PJ000623 SMH C14H23N5O5S 373.142 NA PeJP NA NA +MJ048733 Angustoline, O-Ac C22H19N3O3 373.142641 NA MeJP NA NA +MJ048734 Cystodytins; Cystodytin A, 1'-Hydroxy C22H19N3O3 373.142641 NA MeJP NA NA +MJ048735 Cystodytins; Cystodytin B, 1'-Hydroxy C22H19N3O3 373.142641 NA MeJP NA NA +PJ000624 PEE C15H23N3O8 373.1485 NA PeJP NA NA +C12171 1,2-O-Diacetylzephyranthine C20H23NO6 373.1525 NA KEGG NA NA +MJ048736 Aknadinine, 16-Oxo C20H23NO6 373.152537 NA MeJP NA NA +MJ048737 Ambelline; Ac C20H23NO6 373.152537 NA MeJP NA NA +MJ048738 Bendacalol C20H23NO6 373.152537 NA MeJP NA NA +MJ048739 Bowdensine; 1-Epimer, demethoxy C20H23NO6 373.152537 NA MeJP NA NA +MJ048740 Bujeine C20H23NO6 373.152537 NA MeJP NA NA +MJ048741 Clivonine, O-Propanoyl C20H23NO6 373.152537 NA MeJP NA NA +MJ048742 Colchibiphenyline C20H23NO6 373.152537 NA MeJP NA NA +MJ048743 Dihydrolycorine; Di-Ac C20H23NO6 373.152537 NA MeJP NA NA +MJ048744 Lycorine, O2-(1-Hydroxyethyl), 1-Ac C20H23NO6 373.152537 NA MeJP NA NA +MJ048745 Narzettine C20H23NO6 373.152537 NA MeJP NA NA +MJ048746 Poeticine C20H23NO6 373.152537 NA MeJP NA NA +MJ048747 Prometaphanine; 16-Oxo C20H23NO6 373.152537 NA MeJP NA NA +MJ048748 Pseudoronine C20H23NO6 373.152537 NA MeJP NA NA +MJ048749 Sepimostat C21H19N5O2 373.153874 NA MeJP NA NA +MJ048750 Clebopride C20H24ClN3O2 373.155704 NA MeJP NA NA +PJ000625 GSPN C14H23N5O7 373.1598 NA PeJP NA NA +PJ000626 AHF C18H23N5O4 373.175 NA PeJP NA NA +MJ048751 N6-D-Biotinyl-L-lysine C15H27N5O4S 373.178375 NA MeJP NA NA +MJ048752 Aszonalenin C23H23N3O2 373.179026 NA MeJP NA NA +MJ048753 Antibiotic AM 4299B C16H27N3O7 373.1849 NA MeJP NA NA +C09459 Hasubanonine C21H27NO5 373.1889 NA KEGG NA NA +C16707 (S)-Autumnaline C21H27NO5 373.1889 NA KEGG NA NA +MJ048754 2-Hydroxyisotaxodine; O17-Me, O16-de-Me, O2-Ac C21H27NO5 373.188922 NA MeJP NA NA +MJ048755 2-Hydroxyisotaxodine; O2-Ac C21H27NO5 373.188922 NA MeJP NA NA +MJ048756 Alkaloid CC-2 C21H27NO5 373.188922 NA MeJP NA NA +MJ048757 Autumnaline C21H27NO5 373.188922 NA MeJP NA NA +MJ048758 Cryptostyline III C21H27NO5 373.188922 NA MeJP NA NA +MJ048759 Dyshomerythrine; 2?-Methoxy C21H27NO5 373.188922 NA MeJP NA NA +MJ048760 Erromangine C21H27NO5 373.188922 NA MeJP NA NA +MJ048761 Hasubanonine C21H27NO5 373.188922 NA MeJP NA NA +MJ048762 Isostephodeline C21H27NO5 373.188922 NA MeJP NA NA +MJ048763 Kreysiginine C21H27NO5 373.188922 NA MeJP NA NA +MJ048764 Runanine C21H27NO5 373.188922 NA MeJP NA NA +MJ048765 Sanguinine; O6-Me, O3-(R-3-hydroxybutanoyl) C21H27NO5 373.188922 NA MeJP NA NA +MJ048766 Tannagine C21H27NO5 373.188922 NA MeJP NA NA +MJ048767 Tyrosine, N-Jasmonoyl C21H27NO5 373.188922 NA MeJP NA NA +3510 ACE inhibitor (b-CN 193-198) YQQPVL 373.1915 MH2+ Inhouse_peptide NA peptide +PJ000627 VQQ C15H27N5O6 373.1961 NA PeJP NA NA +PJ000628 GGLQ C15H27N5O6 373.1962 NA PeJP NA NA +MJ048768 10,13-Dihydroxylupanine; O13-(2-Pyrrolecarboxylate) C20H27N3O4 373.200156 NA MeJP NA NA +MJ048769 4,13-Dihydroxylupanine, O13-(2-Pyrrolecarboxylate) C20H27N3O4 373.200156 NA MeJP NA NA +MJ048770 Calpurmenine; O13-2-Pyrrolecarboxylate C20H27N3O4 373.200156 NA MeJP NA NA +MJ048771 4-[2-[3-(Cyclopentyloxy)-4-methoxyphenyl]-2-phenylethyl]pyridine C25H27NO2 373.204179 NA MeJP NA NA +C16547 4-Hydroxy-N-desmethyltamoxifen C25H27NO2 373.2042 NA KEGG NA NA +C16549 alpha-Hydroxy-N-desmethyltamoxifen C25H27NO2 373.2042 NA KEGG NA NA +MJ048772 ?-(2,3-Dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol C22H28FNO3 373.205321 NA MeJP NA NA +PJ000629 AQR C14H27N7O5 373.2074 NA PeJP NA NA +3500 ACE inhibitor from as1-casein YKVPQL 373.2095 MH2+ Inhouse_peptide NA peptide +3346 ACE inhibitor IKPLNY 373.20995 MH2+ Inhouse_peptide NA peptide +MJ048773 Bunazosin C19H27N5O3 373.211389 NA MeJP NA NA +MJ048774 Pseudoargiopinin; Pseudoargiopinin III C19H27N5O3 373.211389 NA MeJP NA NA +7654 ACE inhibitor from wakame NKL 373.2209 antioxidative Inhouse_peptide NA peptide +PJ000630 LLE C17H31N3O6 373.2213 NA PeJP NA NA +MJ048775 Equisetin C22H31NO4 373.225308 NA MeJP NA NA +MJ048776 Fedotozine C22H31NO4 373.225308 NA MeJP NA NA +MJ048777 Polysignine; 3'-Methoxy C22H31NO4 373.225308 NA MeJP NA NA +MJ048778 Songorine; N-Oxide C22H31NO4 373.225308 NA MeJP NA NA +MJ048779 Spiramine S; O-De-Ac C22H31NO4 373.225308 NA MeJP NA NA +MJ048780 Spirasine VII C22H31NO4 373.225308 NA MeJP NA NA +PJ000631 VQK C16H31N5O5 373.2325 NA PeJP NA NA +C15370 Androsta-5,16-dieno[17,16-b]quinolin-3beta-ol C26H31NO 373.2406 NA KEGG NA NA +PJ000632 AKR C15H31N7O4 373.2438 NA PeJP NA NA +C11689 Curacin A C23H35NOS 373.2439 NA KEGG NA NA +MJ048781 Curacin A C23H35NOS 373.243935 NA MeJP NA NA +HMDB13327 Dodecanedioylcarnitine C19H35NO6 373.246429 NA HMDB2010 NA NA +MJ048782 Corumdizine C23H35NO3 373.261693 NA MeJP NA NA +MJ048783 Lanitine C23H35NO3 373.261693 NA MeJP NA NA +MJ048784 Lepenine; O1-Me C23H35NO3 373.261693 NA MeJP NA NA +MJ048785 Myxalamides; Myxalamide D C23H35NO3 373.261693 NA MeJP NA NA +MJ048786 Napelline; 12-Epimer, 1-Me ether C23H35NO3 373.261693 NA MeJP NA NA +MJ048787 Paravallarine; 16?-Hydroxy, N-Me C23H35NO3 373.261693 NA MeJP NA NA +C12161 Myxalamid D C23H35NO3 373.2617 NA KEGG NA NA +PJ000633 VKK C17H35N5O4 373.2689 NA PeJP NA NA +CJpos0780 Cholic acid [(M+H)-2(H2O)]+ (13C) C2313CH37O3 373.269275 C18rt(min)=9.25 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0780 Cholic acid [(M+H)-2(H2O)]+ (13C) C2313CH37O3 373.269275 C18rt(min)=9.25 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ048788 Transcainide C22H35N3O2 373.272927 NA MeJP NA NA +MJ048789 2-Phenylethylamine; N-(9-Oxohexadecanoyl) C24H39NO2 373.298079 NA MeJP NA NA +MJ048790 2,4,16-Eicosatrienoic acid, Piperidide C25H43NO 373.334465 NA MeJP NA NA +3511 ACE inhibitor (b-CN 108-113) EMPFPK 373.6742 MH2+ Inhouse_peptide NA peptide +7502 ACE inhibitor from b-CN EMPFPK 373.6742 MH2+ Inhouse_peptide NA peptide +3127 exorphin from bovine alpha-S1-casein fr:194-199 TTMPLW 373.6747 MH2+ Inhouse_peptide NA peptide +3530 ACE inhibitor (fr, of as1-casein, 194-199) TTMPLW 373.6747 MH2+ Inhouse_peptide NA peptide +8172 peptide derived from bovine aS1-casein (194-199) TTMPLW 373.6747 MH2+ Inhouse_peptide NA peptide +7662 ACE inhibitor from b-CN (193-198) YQEPVL 373.6835 MH2+ Inhouse_peptide NA peptide +7818 ACE inhibitor from mushroom Tricholoma giganteum VIEKYP 373.7015 MH2+ Inhouse_peptide NA peptide +3365 ACE inhibitor FQKVVAG 373.707 MH2+ Inhouse_peptide NA peptide +27 Hemoglobin FQKVVAG 373.7085 MH2+ Inhouse_peptide NA peptide +MJ048791 2,3,6-Tribromo-4,5-dihydroxybenzyl alcohol C7H5Br3O3 373.778881 NA MeJP NA NA +C14197 2,2',3,3',6,6'-Hexachloro-4-biphenylol C12H4Cl6O 373.8393 NA KEGG NA NA +C14198 2,2'3,4',6,6'-Hexachloro-4-biphenylol C12H4Cl6O 373.8393 NA KEGG NA NA +C14203 2,2',3,3',5,5'-Hexachloro-6-biphenylol C12H4Cl6O 373.8393 NA KEGG NA NA +C14728 2,2',3,3',4',5-Hexachloro-4-biphenylol C12H4Cl6O 373.8393 NA KEGG NA NA +C14730 2,2',3,4',5,5'-Hexachloro-4-biphenylol C12H4Cl6O 373.8393 NA KEGG NA NA +MJ048792 2,4,5-Trichloro-1,3,6-trihydroxy-8-methylxanthone; 3-Me ether C15H9Cl3O5 373.951556 NA MeJP NA NA +MJ048793 2,4,5-Trichloro-1,3,6-trihydroxy-8-methylxanthone; 6-Me ether C15H9Cl3O5 373.951556 NA MeJP NA NA +MJ048794 2,4,5-Trichloro-3,6,8-trihydroxy-1-methylxanthone; 6-Me ether C15H9Cl3O5 373.951556 NA MeJP NA NA +MJ048795 2,4,7-Trichloro-3,6,8-trihydroxy-1-methylxanthone; 6-Me ether C15H9Cl3O5 373.951556 NA MeJP NA NA +C12347 Deoxyribose triphosphate C5H13O13P3 373.9569 NA KEGG NA NA +C12348 3,5,7,9,11,13,15-Heptaoxo-hexadecanoyl-[acp] C16H17O8SR 373.9569 NA KEGG NA NA +C12349 3,5,7,9,11,13,15-Heptaoxo-heptadecanoyl-[acp] C17H19O8SR 373.9569 NA KEGG NA NA +C12350 3,5,7,9,11,13,15-Heptaoxo-octadecanoyl-[acp] C18H21O8SR 373.9569 NA KEGG NA NA +C12351 3,5,7,9,11,13,15,17-Octaoxo-octadecanoyl-[acp] C18H19O9SR 373.9569 NA KEGG NA NA +C12352 3,5,7,9,11,13,15,17-Octaoxo-nonadecanoyl-[acp] C19H21O9SR 373.9569 NA KEGG NA NA +C12353 3,5,7,9,11,13,15,17-Octaoxo-eicosanoyl-[acp] C20H23O9SR 373.9569 NA KEGG NA NA +C12354 3,5,7,9,11,13,15,17,19-Nonaoxo-eicosanoyl-[acp] C20H21O10SR 373.9569 NA KEGG NA NA +C12355 3,5,7,9,11,13,15,17,19-Nonaoxo-henicosanoyl-[acp] C21H23O10SR 373.9569 NA KEGG NA NA +C12356 3,5,7,9,11,13,15,17,19-Nonaoxo-docosanoyl-[acp] C22H25O10SR 373.9569 NA KEGG NA NA +C12357 3,5,7,11,13,15-Heptaoxo-9-hydroxy-hexadecanoyl-[acp] C16H19O8SR 373.9569 NA KEGG NA NA +C12358 3,5,7,11,13,15-Heptaoxo-9-hydroxy-heptadecanoyl-[acp] C17H21O8SR 373.9569 NA KEGG NA NA +C12359 3,5,7,11,13,15-Heptaoxo-9-hydroxy-octadecanoyl-[acp] C18H23O8SR 373.9569 NA KEGG NA NA +C12360 9-Hydroxy-3,5,7,11,13,15,17-octaoxo-octadecanoyl-[acp] C18H21O9SR 373.9569 NA KEGG NA NA +C12361 9-Hydroxy-3,5,7,11,13,15,17-octaoxo-nonadecanoyl-[acp] C19H23O9SR 373.9569 NA KEGG NA NA +C12362 9-Hydroxy-3,5,7,11,13,15,17-octaoxo-eicosanoyl-[acp] C20H25O9SR 373.9569 NA KEGG NA NA +C12363 9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-eicosanoyl-[acp] C20H23O10SR 373.9569 NA KEGG NA NA +C12364 9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-henicosanoyl-[acp] C21H25O10SR 373.9569 NA KEGG NA NA +C12365 9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-docosanoyl-[acp] C22H27O10SR 373.9569 NA KEGG NA NA +MetaCyc03250 deoxyribose triphosphate [] C5H13O13P3 373.9569 NA metacyc NA NA +MJ048796 10,15-Dibromo-1,3(15),7(14)-chamigratrien-9-ol C15H20Br2O 373.98809 NA MeJP NA NA +MJ048797 Bromhexine C14H20Br2N2 373.999323 NA MeJP NA NA +MJ048798 Ethylenediaminetetraacetic acid; Di-Na mono-Ca salt C10H12CaN2Na2O8 374.001495 NA MeJP NA NA +MJ048799 Austocystin G C18H11ClO7 374.01933 NA MeJP NA NA +MJ048800 Gavestinel C18H12Cl2N2O3 374.022497 NA MeJP NA NA +FL5FFCNS0026 Gossypetin 7-methyl ether 8-acetate C18H14O9 374.06378 62071-01-6 knapsack NA NA +FL5FGCNS0021 Melinervin C18H14O9 374.06378 52329-54-1 knapsack NA NA +MJ048801 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4'-Methylene, 6,8-di-Me ether C18H14O9 374.063782 NA MeJP NA NA +MJ048802 Fucophlorethol A C18H14O9 374.063782 NA MeJP NA NA +MJ048803 Fucophlorethol B C18H14O9 374.063782 NA MeJP NA NA +MJ048804 Fucophlorethol C C18H14O9 374.063782 NA MeJP NA NA +MJ048805 Menegazziaic acid C18H14O9 374.063782 NA MeJP NA NA +MJ048806 Protocetraric acid C18H14O9 374.063782 NA MeJP NA NA +MJ048807 Stictic acid; 1''-Alcohol, O-de-Me C18H14O9 374.063782 NA MeJP NA NA +MJ048808 Triphlorethol A C18H14O9 374.063782 NA MeJP NA NA +MJ048809 Triphlorethol B C18H14O9 374.063782 NA MeJP NA NA +MJ048810 Triphlorethol C C18H14O9 374.063782 NA MeJP NA NA +MJ048811 Versiconol; 4'-Carboxylic acid C18H14O9 374.063782 NA MeJP NA NA +MJ048812 Virensic acid; 2-Hydroxy C18H14O9 374.063782 NA MeJP NA NA +MJ048813 [1,1':3',1''-Terphenyl]-2,2',2'',4,4',4'',6,6',6''-nonol C18H14O9 374.063782 NA MeJP NA NA +MJ048814 Antibiotic C4; 5'-Alcohol C14H18N2O8S 374.078386 NA MeJP NA NA +C10332 Diospyrin C22H14O6 374.079 NA KEGG NA NA +C10358 Isodiospyrin C22H14O6 374.079 NA KEGG NA NA +MJ048815 3,3'-Bi[5-hydroxy-2-methyl-1,4-naphthoquinone] C22H14O6 374.079038 NA MeJP NA NA +MJ048816 Biramentaceone C22H14O6 374.079038 NA MeJP NA NA +MJ048817 Chitranone C22H14O6 374.079038 NA MeJP NA NA +MJ048818 Diospyrin C22H14O6 374.079038 NA MeJP NA NA +MJ048819 Ehretione C22H14O6 374.079038 NA MeJP NA NA +MJ048820 Elliptinone C22H14O6 374.079038 NA MeJP NA NA +MJ048821 Hydroxyisodiospyrin; (R)axial-form, 8-Deoxy C22H14O6 374.079038 NA MeJP NA NA +MJ048822 Isodiospyrin C22H14O6 374.079038 NA MeJP NA NA +MJ048823 Isozeylanone C22H14O6 374.079038 NA MeJP NA NA +MJ048824 Mamegakinone C22H14O6 374.079038 NA MeJP NA NA +MJ048825 Maritinone C22H14O6 374.079038 NA MeJP NA NA +MJ048826 Neodiospyrin C22H14O6 374.079038 NA MeJP NA NA +MJ048827 Rotundiquinone C22H14O6 374.079038 NA MeJP NA NA +MJ048828 Zeylanone C22H14O6 374.079038 NA MeJP NA NA +MJ048829 20-Bromo-5,11,15,19-eicosatetraene-9,17-diynoic acid C20H23BrO2 374.088142 NA MeJP NA NA +MJ048830 Dibatod C18H18N2O5S 374.093642 NA MeJP NA NA +FL3FALNS0007 5,3'-Dihydroxy-7,2',4',5'-tetramethoxyflavone C19H18O8 374.10016 132923-23-0 knapsack NA NA +FL3FALNS0014 5,4'-Dihydroxy-7,2',3',5'-tetramethoxyflavone;5-Hydroxy-2-(4-hydroxy-2,3,5-trimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C19H18O8 374.10016 352284-01-6 knapsack NA NA +FL3FALNS0015 5,7-Dihydroxy-2',3',4',5'-tetramethoxyflavone;5,7-Dihydroxy-2-(2,3,4,5-tetramethoxyphenyl)-4H-1-benzopyran-4-one C19H18O8 374.10016 206358-02-3 knapsack NA NA +FL3FEGNS0006 5,4'-Dihidroxy-6,7,3',5'-tetramethoxyflavone;5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one C19H18O8 374.10016 83133-17-9 knapsack NA NA +FL3FEGNS0007 5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavone;5-Hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one C19H18O8 374.10016 111537-41-8 knapsack NA NA +FL3FEGNS0008 Arteanoflavone C19H18O8 374.10016 68710-17-8 knapsack NA NA +FL3FELNS0003 Tabularin C19H18O8 374.10016 63591-68-4 knapsack NA NA +FL3FFGNS0004 5,3'-Dihydroxy-7,8,4',5'-tetramethoxyflavone C19H18O8 374.10016 63529-08-8 knapsack NA NA +FL3FFGNS0005 5,7-Dihydroxy-8,3',4',5'-tetramethoxyflavone;3',4',5'-Trimethoxywogonin;5,7-Dihydroxy-8-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C19H18O8 374.10016 32348-78-0 knapsack NA NA +FL3FFLNS0002 5,4'-Dihidroxy-7,8,2',3'-tetramethoxyflavone C19H18O8 374.10016 113963-50-1 knapsack NA NA +FL3FG8NS0001 Skullcapflavone II;Neobaicalein C19H18O8 374.10016 55084-08-7 knapsack NA NA +FL3FGCNS0008 5,4'-Dihidroxy-6,7,8,3'-tetramethoxyflavone;7-Methylsudachitin;8-Methoxycirsilineol;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one C19H18O8 374.10016 16520-78-8 knapsack NA NA +FL3FGCNS0009 Gardenin D;5,3'-Dihydroxy-6,7,8,4'-tetramethoxyflavone;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one C19H18O8 374.10016 29202-00-4 knapsack NA NA +FL3FGCNS0010 Hymenoxin;5,7-Dihydroxy-6,8,3',4'-tetramethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one C19H18O8 374.10016 56003-01-1 knapsack NA NA +FL3FGCNS0018 8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone C19H18O8 374.10016 - knapsack NA NA +FL3FGCNS0019 5,6-Dihydroxy-7,8,3',4'-tetramethoxyflavone;Pebrellin;2-(3,4-Dimethoxyphenyl)-5,6-dihydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one C19H18O8 374.10016 13509-93-8 knapsack NA NA +FL4DACNI0004 6-(3''-Oxobutyl)taxifolin;3,5,7,3',4'-Pentahydroxy-6-(3-oxobutyl)flavanone C19H18O8 374.10016 220936-65-2 knapsack NA NA +FL4DF8NS0002 3,5,2'-Trihydroxy-7,8-dimethoxyflavanone 2'-acetate C19H18O8 374.10016 110065-76-4 knapsack NA NA +FL4DF8NS0003 (2R,3R)-5,2'-Dihydroxy-7,8-dimethoxy-3-O-acetylflavanone C19H18O8 374.10016 364367-60-2 knapsack NA NA +FL5F2LNS0001 6,5'-Dihydroxy-3,7,2',4'-tetramethoxyflavone C19H18O8 374.10016 - knapsack NA NA +FL5FALNS0011 Chrysosplenol G C19H18O8 374.10016 130252-52-7 knapsack NA NA +FL5FALNS0012 5-O-Methyloxyayanin-A C19H18O8 374.10016 21722-25-8 knapsack NA NA +FL5FALNS0013 Chrysosplenol E C19H18O8 374.10016 23289-81-8 knapsack NA NA +FL5FCKNS0002 3,5-Dihydroxy-7,3',4',5'-tetramethoxyflavone;3,5-Dihydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C19H18O8 374.10016 271788-65-9 knapsack NA NA +FL5FDINS0002 Myricetin 3,7,3',5'-tetramethyl ether C19H18O8 374.10016 74705-43-4 knapsack NA NA +FL5FDJNM0002 6,8-Di-C-methylmyricetin 3,4'-dimethyl ether C19H18O8 374.10016 69935-15-5 knapsack NA NA +FL5FDKNS0002 Myricetin 3,7,3',4'-tetramethyl ether C19H18O8 374.10016 14290-57-4 knapsack NA NA +FL5FDKNS0003 Myricetin 3,3',4',5'-tetramethyl ether;5,7-Dihydroxy-3,3',4',5'-tetramethoxyflavone;5,7-Dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C19H18O8 374.10016 14585-04-7 knapsack NA NA +FL5FDKNS0006 5,5'-Dihydroxy-3,7,3',4'-tetramethoxyflavone C19H18O8 374.10016 - knapsack NA NA +FL5FECNM0001 8-C-Methylquercetagetin 3,6,7-trimethyl ether;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methyl-4H-1-benzopyran-4-one C19H18O8 374.10016 140899-09-8 knapsack NA NA +FL5FECNM0002 8-C-Methylquercetagetin 3,6,3'-trimethyl ether;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-8-methyl-4H-1-benzopyran-4-one C19H18O8 374.10016 151649-36-4 knapsack NA NA +FL5FECNS0025 Quercetagetin 3,5,6,3'-tetramethyl ether C19H18O8 374.10016 58130-92-0 knapsack NA NA +FL5FECNS0026 Quercetagetin 3,5,7,3'-tetramethyl ether C19H18O8 374.10016 29043-10-5 knapsack NA NA +FL5FECNS0027 Quercetagetin 3,5,7,4'-tetramethyl ether C19H18O8 374.10016 154662-04-1 knapsack NA NA +FL5FECNS0028 Chrysosplenetin;5,4'-Dihydroxy-3,6,7,3'-tetramethoxyflavone;Quercetagetin 3,6,7,3'-tetramethyl ether;Polycladin;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one C19H18O8 374.10016 603-56-5 knapsack NA NA +FL5FECNS0029 Casticin;3,6,7,4'-Tetra-O-methyl-5,3'-dihydroxyflavone;Quercetagetin 3,6,7,4'-tetramethyl ether;Vitexicarpin;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one C19H18O8 374.10016 479-91-4 knapsack NA NA +FL5FECNS0030 Bonanzin;5,7-Dihydroxy-3,6,3',4'-tetramethoxyflavone;Quercetagetin 3,6,3',4'-tetramethyl ether;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one C19H18O8 374.10016 35688-42-7 knapsack NA NA +FL5FECNS0031 Quercetagetin 3,7,3',4'-tetramethyl ether;5,6-Dihydroxy-3,3',4',7-tetramethoxyflavone C19H18O8 374.10016 63296-15-1 knapsack NA NA +FL5FECNS0032 Eupatoretin C19H18O8 374.10016 19587-69-0 knapsack NA NA +FL5FECNS0033 Quercetagetin 6,7,3'4'-tetramethyl ether;2-(3,4-Dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one C19H18O8 374.10016 57296-14-7 knapsack NA NA +FL5FELNS0001 Chrysosplin C19H18O8 374.10016 28914-17-2 knapsack NA NA +FL5FF8NS0007 5,5'-Dihydroxy-3,7,8,2'-tetramethoxyflavone C19H18O8 374.10016 117278-71-4 knapsack NA NA +FL5FFCNS0017 Ternatin;5,4'-Dihydroxy-3,7,8,3'-tetramethoxyflavone;Gossypetin 3,7,8,3'-tetramethyl ether;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one C19H18O8 374.10016 571-71-1 knapsack NA NA +FL5FFCNS0018 Gossypetin 3,7,8,4'-tetramethyl ether;5,3'-Dihydroxy-3,7,8,4'-tetramethoxyflavone;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one C19H18O8 374.10016 4670-37-5 knapsack NA NA +FL5FFCNS0019 Gossypetin 3,7,3',4'-tetramethyl ether C19H18O8 374.10016 7380-44-1 knapsack NA NA +FL5FFCNS0020 Gossypetin 3,8,3',4'-tetramethyl ether C19H18O8 374.10016 42923-42-2 knapsack NA NA +FL5FFCNS0021 Gossypetin 7,8,3',4'-tetramethyl ether C19H18O8 374.10016 72620-07-6 knapsack NA NA +FL5FFLNS0002 5,4'-Dihydroxy-3,7,8,2'-tetramethoxyflavone C19H18O8 374.10016 71787-03-6 knapsack NA NA +FL5FGANS0005 Calycopterin;5,4'-Dihydroxy-3,6,7,8-tetramethoxyflavone;5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one C19H18O8 374.10016 481-52-7 knapsack NA NA +FL5FGANS0006 Araneosol;5,7-Dihydroxy-3,4',6,8-tetramethoxyflavone;5,7-Dihydroxy-3,6,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C19H18O8 374.10016 50461-86-4 knapsack NA NA +FL5FGANS0007 Eriostemin C19H18O8 374.10016 40522-42-7 knapsack NA NA +FL5FGANS0010 3,5-Dihydroxy-6,7,8,4'-tetramethoxyflavone;3,5-Dihydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C19H18O8 374.10016 57393-70-1 knapsack NA NA +FLIAEGNS0002 Junipegenin C;5,7-Dihydroxy-6,3',4',5'-tetramethoxyisoflavone C19H18O8 374.10016 78134-86-8 knapsack NA NA +FLIAELNS0001 Caviunin;5,7-Dihydroxy-6,2',4',5'-tetramethoxyisoflavone C19H18O8 374.10016 4935-92-6 knapsack NA NA +FLIAFLNS0001 Isocaviunin;5,7-Dihydroxy-8,2',4',5'-tetramethoxyisoflavone C19H18O8 374.10016 4968-78-9 knapsack NA NA +FLIAG8NS0001 5,3'-Dihydroxy-6,7,8,2'-tetramethoxyisoflavone C19H18O8 374.10016 129724-36-3 knapsack NA NA +FLIFHXNS0003 Dihydrostemonal;6,11-Dihydroxy-2,3,9-trimethoxyrotenone C19H18O8 374.10016 125164-60-5 knapsack NA NA +MJ048831 1,2,3,5,8-Pentahydroxy-6-hydroxymethylanthraquinone; 1,2,3,5-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048832 2',3',4',5,5',7-Hexahydroxyflavone; 2',3',4',5'-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048833 2',3',4',5,5',7-Hexahydroxyflavone; 2',3',5',7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048834 2',3',4',5,5',7-Hexahydroxyflavone; 2',4',5',7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048835 2',3',4',5,6,7-Hexahydroxyisoflavone; 2',3',4',6-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048836 2',3',4',5,7,8-Hexahydroxyflavone; 2',3',7,8-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048837 2',3',5,5',6,7-Hexahydroxyflavone; 2',3',6,7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048838 2',3',5,6,7,8-Hexahydroxyflavone; 3',6,7,8-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048839 2',3',5,6,7,8-Hexahydroxyisoflavone; 2',6,7,8-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048840 2',3,4',5,5',7-Hexahydroxyflavone; 2',3,4',7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048841 2',3,4',5,5',7-Hexahydroxyflavone; 3,4',5',7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048842 2',3,4',5,5',7-Hexahydroxyflavone; 3,4',5,7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048843 2',3,4',5,6,7-Hexahydroxyflavone; 2',3,6,7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048844 2',3,4',5,7,8-Hexahydroxyflavone; 2',3,7,8-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048845 2',3,5,5',6,7-Hexahydroxyflavone; 2',3,5,7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048846 2',3,5,5',7,8-Hexahydroxyflavone; 2',3,7,8-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048847 2',3,5,7,8-Pentahydroxyflavanone; 7,8-Di-Me ether, 2'-Ac C19H18O8 374.100167 NA MeJP NA NA +MJ048848 2',4',5,5',6,7-Hexahydroxyflavone; 2',4',5',6-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048849 2',4',5,5',6,7-Hexahydroxyisoflavone; 2',4',5',6-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048850 2',4',5,5',7,8-Hexahydroxyisoflavone; 2',4',5',8-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048851 2',5,6,6',7,8-Hexahydroxyflavone; 6,6',7,8-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048852 2-Methyl-1,4-naphthalenediol; Bis(3-carboxypropanoyl) C19H18O8 374.100167 NA MeJP NA NA +MJ048853 3',4',5,5',6,7-Hexahydroxyflavone; 3',4',5',6-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048854 3',4',5,5',6,7-Hexahydroxyflavone; 3',5',6,7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048855 3',4',5,5',6,7-Hexahydroxyflavone; 4',5',6,7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048856 3',4',5,5',6,7-Hexahydroxyisoflavone; 3',4',5',6-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048857 3',4',5,5',7,8-Hexahydroxyflavone; 3',4',5',8-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048858 3',4',5,5',7,8-Hexahydroxyflavone; 3',5',7,8-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048859 3',4',5,5',7,8-Hexahydroxyflavone; 4',5',7,8-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048860 3',4',5,6,7,8-Hexahydroxyflavone; 3',4',7,8-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048861 3',5-Dihydroxy-3,4',6,7-tetramethoxyflavone C19H18O8 374.100167 NA MeJP NA NA +MJ048862 3',5-Dihydroxy-3,4',7,8-tetramethoxyflavone C19H18O8 374.100167 NA MeJP NA NA +MJ048863 3',5-Dihydroxy-4',6,7,8-tetramethoxyflavone C19H18O8 374.100167 NA MeJP NA NA +MJ048864 3,3',4',5,5',7-Hexahydroxy-6,8-dimethylflavone; 3,4'-Di-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048865 3,3',4',5,5',7-Hexahydroxy-8-methylflavone; 3,4',7-Tri-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048866 3,3',4',5,5',7-Hexahydroxyflavone; 3,3',4',5'-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048867 3,3',4',5,5',7-Hexahydroxyflavone; 3,3',4',7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048868 3,3',4',5,5',7-Hexahydroxyflavone; 3,3',5',7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048869 3,3',4',5,5',7-Hexahydroxyflavone; 3,4',5',7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048870 3,3',4',5,6,7-Hexahydroxy-8-methylflavone; 3,3',6-Tri-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048871 3,3',4',5,6,7-Hexahydroxy-8-methylflavone; 3,6,7-Tri-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048872 3,3',4',5,6,7-Hexahydroxyflavone; 3',4',6,7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048873 3,3',4',5,6,7-Hexahydroxyflavone; 3,3',4',7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048874 3,3',4',5,6,7-Hexahydroxyflavone; 3,3',5,6-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048875 3,3',4',5,6,7-Hexahydroxyflavone; 3,3',5,7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048876 3,3',4',5,6,7-Hexahydroxyflavone; 3,4',5,7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048877 3,3',4',5,7,8-Hexahydroxyflavone; 3',4',7,8-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048878 3,3',4',5,7,8-Hexahydroxyflavone; 3,3',4',7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048879 3,3',4',5,7,8-Hexahydroxyflavone; 3,3',4',8-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048880 3,3',4',5,7-Pentahydroxy-6-(3-oxobutyl)flavanone C19H18O8 374.100167 NA MeJP NA NA +MJ048881 3,3',4',5,7-Pentahydroxyflavanone, 3',7-Di-Me ether, 3-Ac C19H18O8 374.100167 NA MeJP NA NA +MJ048882 3,3'-Dihydroxy-4',5,6,7-tetramethoxyflavone C19H18O8 374.100167 NA MeJP NA NA +MJ048883 3,4',5,6,7,8-Hexahydroxyflavone; 3,4',6,7-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048884 3,4',5,6,7,8-Hexahydroxyflavone; 3,4',6,8-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048885 3,4',5,6,7,8-Hexahydroxyflavone; 3,5,6,8-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048886 3,4',5,6,7,8-Hexahydroxyflavone; 3,6,7,8-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048887 3,4',5,6,7,8-Hexahydroxyflavone; 4',6,7,8-Tetra-Me ether C19H18O8 374.100167 NA MeJP NA NA +MJ048888 3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-(3,4-Dihydroxy-E-cinnamoyl), Me ester C19H18O8 374.100167 NA MeJP NA NA +MJ048889 4',5-Dihydroxy-3',6,7,8-tetramethoxyflavone C19H18O8 374.100167 NA MeJP NA NA +MJ048890 4',5-Dihydroxy-3,3',6,7-tetramethoxyflavone C19H18O8 374.100167 NA MeJP NA NA +MJ048891 4',5-Dihydroxy-3,3',7,8-tetramethoxyflavone C19H18O8 374.100167 NA MeJP NA NA +MJ048892 5,7-Dihydroxy-3',4',6,8-tetramethoxyflavone C19H18O8 374.100167 NA MeJP NA NA +MJ048893 5,7-Dihydroxy-3,3',4',6-tetramethoxyflavone C19H18O8 374.100167 NA MeJP NA NA +MJ048894 Ariseminone C19H18O8 374.100167 NA MeJP NA NA +MJ048895 Atranorin C19H18O8 374.100167 NA MeJP NA NA +MJ048896 Baeomycesic acid C19H18O8 374.100167 NA MeJP NA NA +MJ048897 Boeravinone C; 6?-Methoxy C19H18O8 374.100167 NA MeJP NA NA +MJ048898 Bryebinal C19H18O8 374.100167 NA MeJP NA NA +MJ048899 Clauslactone B; 7'-Deoxy, 6',7'-didehydro, 9'-hydroxy C19H18O8 374.100167 NA MeJP NA NA +MJ048900 Clitoriacetal; 11-Deoxy C19H18O8 374.100167 NA MeJP NA NA +MJ048901 Clitoriacetal; 6-Deoxy C19H18O8 374.100167 NA MeJP NA NA +MJ048902 Comosin C19H18O8 374.100167 NA MeJP NA NA +MJ048903 Dihydrostemonal C19H18O8 374.100167 NA MeJP NA NA +MJ048904 Funicone C19H18O8 374.100167 NA MeJP NA NA +MJ048905 Homotrichione C19H18O8 374.100167 NA MeJP NA NA +MJ048906 Psorospermindiol; 5'-Hydroxy C19H18O8 374.100167 NA MeJP NA NA +MJ048907 Sakyomicin B, 5,6-Dihydro C19H18O8 374.100167 NA MeJP NA NA +MJ048908 Teubrevin E C19H18O8 374.100167 NA MeJP NA NA +MJ048909 Trocholejeunin C19H18O8 374.100167 NA MeJP NA NA +C10030 Chrysosplenetin C19H18O8 374.1002 NA KEGG NA NA +C10183 Scullcapflavone II C19H18O8 374.1002 NA KEGG NA NA +MJ048910 Malonomicin C13H18N4O9 374.107378 NA MeJP NA NA +HMDB12281 Portulacaxanthin II C18H18N2O7 374.111389 NA HMDB2010 NA NA +C08565 Portulacaxanthin II C18H18N2O7 374.1114 NA KEGG NA NA +MJ048911 2-Amino-3H-phenoxazin-3-one; N-?-D-Glucopyranosyl C18H18N2O7 374.1114 NA MeJP NA NA +MJ048912 Portulacaxanthin II C18H18N2O7 374.1114 NA MeJP NA NA +MJ048913 Alboside A C16H22O10 374.121296 NA MeJP NA NA +MJ048914 Arborescosidic acid C16H22O10 374.121296 NA MeJP NA NA +MJ048915 Asystasioside B; Parent acid, 7?,8?-epoxide C16H22O10 374.121296 NA MeJP NA NA +MJ048916 Eustomoside; 5-Deoxy C16H22O10 374.121296 NA MeJP NA NA +MJ048917 Gardoside C16H22O10 374.121296 NA MeJP NA NA +MJ048918 Gelsemide; 7-?-D-Glucopyranoside C16H22O10 374.121296 NA MeJP NA NA +MJ048919 Geniposidic acid C16H22O10 374.121296 NA MeJP NA NA +MJ048920 Gentioflavoside C16H22O10 374.121296 NA MeJP NA NA +MJ048921 Loganic acid; 7-Ketone C16H22O10 374.121296 NA MeJP NA NA +MJ048922 Swertiamarin C16H22O10 374.121296 NA MeJP NA NA +MetaCyc03251 secologanate [] C16H22O10 374.121297 NA metacyc NA NA +C01957 Secologanate C16H22O10 374.1213 NA KEGG NA NA +C01958 Steryl ester C18H27O2R 374.1213 NA KEGG NA NA +C09800 Swertiamarin C16H22O10 374.1213 NA KEGG NA NA +C11673 Geniposidic acid C16H22O10 374.1213 NA KEGG NA NA +C16963 Gardoside C16H22O10 374.1213 NA KEGG NA NA +C11564 N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide C22H18N2O4 374.1267 NA KEGG NA NA +MJ048923 Mycosporin-Glu-Gly C15H22N2O9 374.13253 NA MeJP NA NA +MJ048924 N-[(5-Hydroxy-2-pyridinyl)methyl]adenosine C16H18N6O5 374.133867 NA MeJP NA NA +FL1CALNS0003 Rubone C20H22O7 374.13655 73694-15-2 knapsack NA NA +FL1CDKNS0001 2'-Hydroxy-3,4,5,4',6'-pentamethoxychalcone C20H22O7 374.13655 53350-27-9 knapsack NA NA +FL1CECNS0001 6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone C20H22O7 374.13655 65602-54-2 knapsack NA NA +FL1CECNS0004 2'-Hydroxy-3',4',6',3,4-pentamethoxychalcone C20H22O7 374.13655 63878-51-3 knapsack NA NA +FL2FACNI0010 6-C-(3-Hydroxyisopentyl)eriodictyol C20H22O7 374.13655 151716-83-5 knapsack NA NA +FL2FALNS0008 5,7,2',3',4'-Pentamethoxyflavanone C20H22O7 374.13655 497918-30-6 knapsack NA NA +FL2FECNS0008 (2S)-5,6,7,3',4'-Pentamethoxyflavanone C20H22O7 374.13655 104193-93-3 knapsack NA NA +FL2FGANS0004 (2S)-5,6,7,8,4'-Pentamethoxyflavanone C20H22O7 374.13655 377090-32-9 knapsack NA NA +FL4DAANI0004 3,5,7,4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavanone C20H22O7 374.13655 124901-83-3 knapsack NA NA +MJ048925 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(3-Furancarbonyl) C20H22O7 374.136553 NA MeJP NA NA +MJ048926 14,16-Epoxy-4,10-dihydroxy-2,13(16),14-clerodatriene-17,21:18,1-diolide C20H22O7 374.136553 NA MeJP NA NA +MJ048927 15,16-Epoxy-19-hydroxy-2-oxo-13(16),14-clerodadiene-19,6:20,12-diolide C20H22O7 374.136553 NA MeJP NA NA +MJ048928 15,16-Epoxy-2,6-dihydroxy-3,13(16),14-clerodatriene-18,19:20,12-diolide C20H22O7 374.136553 NA MeJP NA NA +MJ048929 15,16-Epoxy-4,6-dihydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide C20H22O7 374.136553 NA MeJP NA NA +MJ048930 15,16-Epoxy-4,6-dihydroxy-2,13(16),14-clerodatriene-18,19:20,12-diolide C20H22O7 374.136553 NA MeJP NA NA +MJ048931 15,16-Epoxy-4,8-dihydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide C20H22O7 374.136553 NA MeJP NA NA +MJ048932 15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide, 2?,3?-Epoxide C20H22O7 374.136553 NA MeJP NA NA +MJ048933 15,16-Epoxy-6,8-dihydroxy-13(16),14-clerodadiene-17,12:18,19-diolide, 6-Ketone C20H22O7 374.136553 NA MeJP NA NA +MJ048934 15,16:18,19-Diepoxy-2,18-dihydroxy-6-oxo-13(16),14-clerodadien-20,12-olide, 2-Ketone C20H22O7 374.136553 NA MeJP NA NA +MJ048935 19-Hydroxypteronia dilactone C20H22O7 374.136553 NA MeJP NA NA +MJ048936 2',3,3',4,4',6'-Hexahydroxychalcone; 2',3',3,4',4-Penta-Me ether C20H22O7 374.136553 NA MeJP NA NA +MJ048937 2',3,4,4',5,6'-Hexahydroxychalcone; 2',3,4,4',5-Penta-Me ether C20H22O7 374.136553 NA MeJP NA NA +MJ048938 2',4',5,7-Tetrahydroxy-8-prenylisoflavanone; 2'',3''-Dihydro, 3''-hydroxy C20H22O7 374.136553 NA MeJP NA NA +MJ048939 2',4',5,7-Tetrahydroxy-8-prenylisoflavanone; 2'',3''-Dihydro, 4''-hydroxy C20H22O7 374.136553 NA MeJP NA NA +MJ048940 2,2',4,4',5,6'-Hexahydroxychalcone; 2,2',4,4',5-Penta-Me ether C20H22O7 374.136553 NA MeJP NA NA +MJ048941 2,3,3',4,4'-Pentahydroxylignan-9,9'-olide, 3,3'-Di-Me ether C20H22O7 374.136553 NA MeJP NA NA +MJ048942 2,3,4-Trihydroxy-1(10),2,7(11),8-guaiatetraen-12,6-olide, 3-(2,3-Epoxy-2-methylbutanoyl) C20H22O7 374.136553 NA MeJP NA NA +MJ048943 3',4',5,5',7-Pentahydroxyflavanone, Penta-Me ether C20H22O7 374.136553 NA MeJP NA NA +MJ048944 3',4',5,6,7-Pentahydroxyflavanone, Penta-Me ether C20H22O7 374.136553 NA MeJP NA NA +MJ048945 3',4',5,7,8-Pentahydroxyflavanone, Penta-Me ether C20H22O7 374.136553 NA MeJP NA NA +MJ048946 3',4',5,7-Tetrahydroxy-6-prenylflavanone, 2'',3''-Dihydro, 3''-hydroxy C20H22O7 374.136553 NA MeJP NA NA +MJ048947 3,10-Epoxy-5,6-dihydroxy-1-oxo-2,4(15),11(13)-germacratrien-12,8-olide, 6-Angeloyl C20H22O7 374.136553 NA MeJP NA NA +MJ048948 3,10-Epoxy-5,8-dihydroxy-1-oxo-2,4(15),11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H22O7 374.136553 NA MeJP NA NA +MJ048949 3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H22O7 374.136553 NA MeJP NA NA +MJ048950 3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Tigloyl C20H22O7 374.136553 NA MeJP NA NA +MJ048951 3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H22O7 374.136553 NA MeJP NA NA +MJ048952 3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Tigloyl C20H22O7 374.136553 NA MeJP NA NA +MJ048953 3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H22O7 374.136553 NA MeJP NA NA +MJ048954 3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) C20H22O7 374.136553 NA MeJP NA NA +MJ048955 3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3,3'-Di-Me ether C20H22O7 374.136553 NA MeJP NA NA +MJ048956 3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 7'-Ketone, 3,3'-di-Me ether C20H22O7 374.136553 NA MeJP NA NA +MJ048957 3,3',4,4',8-Pentahydroxylignan-9,9'-olide, 3',4'-Di-Me ether C20H22O7 374.136553 NA MeJP NA NA +MJ048958 3,3',4,4',9-Pentahydroxy-7,9':7',9-diepoxylignan, 3,3'-Di-Me ether C20H22O7 374.136553 NA MeJP NA NA +MJ048959 3,4-Epoxy-5,8-dihydroxy-2-oxo-1(10),11(13)-guaiadien-12,6-olide, 8-(3-Methyl-2-butenoyl) C20H22O7 374.136553 NA MeJP NA NA +MJ048960 3,4-Epoxy-8,9-dihydroxy-2-oxo-1(10),11(13)-guaiadien-12,6-olide, 8-Tigloyl C20H22O7 374.136553 NA MeJP NA NA +MJ048961 3,5-Dihydroxystilbene, Mono-O-?-D-glucopyranoside C20H22O7 374.136553 NA MeJP NA NA +MJ048962 3-(2,4-Dihydroxybenzyl)-5,7,8-trihydroxy-6-methyl-4-chromanone; 2',4',5-Tri-Me ether C20H22O7 374.136553 NA MeJP NA NA +MJ048963 3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3'-Me ether, 1-O-(4-hydroxy-3-methoxycinnamoyl)(E-) C20H22O7 374.136553 NA MeJP NA NA +MJ048964 3-[4-[2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxyphenyl]-2-propenal C20H22O7 374.136553 NA MeJP NA NA +MJ048965 4,4',7-Trihydroxy-3,3'-dimethoxylignan-9,9'-olide C20H22O7 374.136553 NA MeJP NA NA +MJ048966 4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradiene-12,6;14,2-diolide, 8-(3-Methyl-2-butenoyl) C20H22O7 374.136553 NA MeJP NA NA +MJ048967 4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradiene-12,6;14,2-diolide, 8-Tigloyl C20H22O7 374.136553 NA MeJP NA NA +MJ048968 4,6:15,16-Diepoxy-2-hydroxy-13(16),14-clerodadiene-18,19:20,12-diolide C20H22O7 374.136553 NA MeJP NA NA +MJ048969 5,7-Dihydroxy-3-(3,4,5-trihydroxybenzyl)phthalide, Penta-Me ether C20H22O7 374.136553 NA MeJP NA NA +MJ048970 5,7-Dihydroxy-6,8-dimethyl-3-(3,4,5-trihydroxybenzyl)-4-chromanone; 3',5'-Di-Me ether C20H22O7 374.136553 NA MeJP NA NA +MJ048971 5,8,14-Trihydroxy-2-oxo-1,(10),3,11(13)-guaiatrien-12,6-olide, 8-Tigloyl C20H22O7 374.136553 NA MeJP NA NA +MJ048972 5,8,9-Trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-(3-Methyl-2-butenoyl) C20H22O7 374.136553 NA MeJP NA NA +MJ048973 5,8,9-Trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-Angeloyl C20H22O7 374.136553 NA MeJP NA NA +MJ048974 5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 3-O-[2-(Acetoxymethyl)-2-butenoyl](Z-) C20H22O7 374.136553 NA MeJP NA NA +MJ048975 6-Methoxy-3',4'-dehydromurranganon; O-(2-Methylpropanoyl) C20H22O7 374.136553 NA MeJP NA NA +MJ048976 8,10:12,20-Diepoxy-15-hydroxy-9,10-seco-3,9,13-clerodatriene-16,15:18,6-diolide C20H22O7 374.136553 NA MeJP NA NA +MJ048977 8,12-Epoxy-15-hydroxy-1-oxo-2,13-clerodadiene-16,15:18,19-diolide C20H22O7 374.136553 NA MeJP NA NA +MJ048978 8,9-Dihydroxy-2-oxo-3,10(14),11(13)-guaiatrien-12,6-olide, 3?,4?-Epoxide, 8-tigloyl C20H22O7 374.136553 NA MeJP NA NA +MJ048979 8-Hydroxy-1(10),4,11(13)-germacratriene-12,6;14,9-diolide, 8-(2,3-Epoxy-2-methylbutanoyl) C20H22O7 374.136553 NA MeJP NA NA +MJ048980 8-Hydroxypinoresinol C20H22O7 374.136553 NA MeJP NA NA +MJ048981 9,10-Epoxy-1,15-dihydroxy-8-oxo-3,11(13)-guaiadien-12,6-olide, 1-Tigloyl C20H22O7 374.136553 NA MeJP NA NA +MJ048982 9,9'-Epoxy-3',4,4',5,8,9-hexahydroxy-2,7'-cyclolignan; 3',5-Di-Me ether C20H22O7 374.136553 NA MeJP NA NA +MJ048983 9-Hydroxy-3,11(13)-elemadiene-12,8;15,6-diolide, 1S,2-Epoxide, 9-tigloyl C20H22O7 374.136553 NA MeJP NA NA +MJ048984 Angelicain, 9-O-Angeloyl C20H22O7 374.136553 NA MeJP NA NA +MJ048985 Anisocoumarin I C20H22O7 374.136553 NA MeJP NA NA +MJ048986 Barbatic acid; 2-Me ether C20H22O7 374.136553 NA MeJP NA NA +MJ048987 Byakangelicin, 2',3'-O-Isopropylidene C20H22O7 374.136553 NA MeJP NA NA +MJ048988 Disyhamifolide C20H22O7 374.136553 NA MeJP NA NA +MJ048989 Divaricatic acid ; O-De-Me C20H22O7 374.136553 NA MeJP NA NA +MJ048990 Eusiderin L C20H22O7 374.136553 NA MeJP NA NA +MJ048991 Excavatin D, 8-Methoxy , 7'R-hydroxy, 6',7'-dihydro C20H22O7 374.136553 NA MeJP NA NA +MJ048992 Hamaudol, 13-Hydroxy, 3-angeloyl C20H22O7 374.136553 NA MeJP NA NA +MJ048993 Jamesoniellide C C20H22O7 374.136553 NA MeJP NA NA +MJ048994 Khellactone, 10-O-(2-Methylpropanoyl), 9-Ac C20H22O7 374.136553 NA MeJP NA NA +MJ048995 Khellactone, 9-O-(2-Methylpropanoyl), 10-Ac C20H22O7 374.136553 NA MeJP NA NA +MJ048996 Neophellamuretin, 2'',3''-Dihydro, 3''-hydroxy C20H22O7 374.136553 NA MeJP NA NA +MJ048997 Plaunol D C20H22O7 374.136553 NA MeJP NA NA +MJ048998 Saudin C20H22O7 374.136553 NA MeJP NA NA +MJ048999 Shinjulactone C C20H22O7 374.136553 NA MeJP NA NA +MJ049000 Shinjulactone F C20H22O7 374.136553 NA MeJP NA NA +MJ049001 Vaginidiol; 3'-O-(2-Methylpropanoyl), 1''-O-Ac C20H22O7 374.136553 NA MeJP NA NA +MJ049002 Wikstromol C20H22O7 374.136553 NA MeJP NA NA +MetaCyc03252 kievitone hydrate [] C20H22O7 374.136553 62682-11-5 metacyc NA NA +C02549 Kievitone hydrate C20H22O7 374.1366 NA KEGG NA NA +C02553 L-Seryl-tRNA(Ser) C13H22NO12PR2 374.1366 NA KEGG NA NA +C02554 L-Valyl-tRNA(Val) C20H30N6O11PR 374.1366 NA KEGG NA NA +C09073 Chasmanthin C20H22O7 374.1366 NA KEGG NA NA +C09151 Palmarin C20H22O7 374.1366 NA KEGG NA NA +C09168 Plaunol D C20H22O7 374.1366 NA KEGG NA NA +C09351 Budlein A C20H22O7 374.1366 NA KEGG NA NA +C09402 Elephantin C20H22O7 374.1366 NA KEGG NA NA +C10725 Nortrachelogenin C20H22O7 374.1366 NA KEGG NA NA +MJ049003 6-Oxo-3-(2-phenylpyrazolo[1,5-a]pyridin -3-yl)-1(6H)-pyridazinebutanoic acid C21H18N4O3 374.13789 NA MeJP NA NA +MJ049004 Indopanolol C20H23ClN2O3 374.13972 NA MeJP NA NA +PJ000634 GSPD C14H22N4O8 374.1438 NA PeJP NA NA +FL6F1ANC0001 4'-Hydroxy-4-(4-hydroxystyryl)-7-methoxyflavan C24H22O4 374.1518 63524-11-8 knapsack NA NA +MJ049005 1-(3-Ethylphenyl)-1,2-ethanediol; Dibenzoyl C24H22O4 374.151809 NA MeJP NA NA +MJ049006 1-(4-Ethylphenyl)-1,2-ethanediol; Dibenzoyl C24H22O4 374.151809 NA MeJP NA NA +MJ049007 4',7-Dihydroxy-4-(4-hydroxystyryl)flavan, 7-Me ether C24H22O4 374.151809 NA MeJP NA NA +PJ000635 NNQ C13H22N6O7 374.155 NA PeJP NA NA +C14992 3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione C21H26O4S 374.1552 NA KEGG NA NA +C14993 Nonylphenol C21H26O4S 374.1552 NA KEGG NA NA +MJ049008 Deoxyloganin C17H26O9 374.157682 NA MeJP NA NA +MJ049009 2-O-Acetyl-1-O-isobutyryl-6-O-tigloyl-?-D-glucopyranose C17H26O9 374.157682 NA MeJP NA NA +MJ049010 7-Dioxolanylsecologanin C17H26O9 374.157682 NA MeJP NA NA +MJ049011 Loganic acid; 7-Deoxy, Me ester C17H26O9 374.157682 NA MeJP NA NA +MJ049012 Pinifolin C17H26O9 374.157682 NA MeJP NA NA +MetaCyc03253 7-deoxyloganin [] C17H26O9 374.157682 NA metacyc NA NA +C06071 Deoxyloganin C17H26O9 374.1577 NA KEGG NA NA +C06073 Indole alkaloid C17H26O9 374.1577 NA KEGG NA NA +C11648 8-Epideoxyloganin C17H26O9 374.1577 NA KEGG NA NA +PJ000636 PQM C15H26N4O5S 374.1624 NA PeJP NA NA +MJ049013 Cyproterone C22H27ClO3 374.164872 NA MeJP NA NA +C09527 Phantomolin C21H26O6 374.1729 NA KEGG NA NA +C17826 Hexahydrocurcumin C21H26O6 374.1729 NA KEGG NA NA +MJ049014 1,10-Epoxyfuranoeremophilane-3,6-diol, 3-(2-Methyl-2-propenoyl), 6-Ac C21H26O6 374.172938 NA MeJP NA NA +MJ049015 12-Hydroxy-6,11,14-trioxo-8,12-abietadien-18-oic acid; Me ether C21H26O6 374.172938 NA MeJP NA NA +MJ049016 12-Norquassin C21H26O6 374.172938 NA MeJP NA NA +MJ049017 15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, Me ester C21H26O6 374.172938 NA MeJP NA NA +MJ049018 15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatrien-17,12-olid-18-oic acid, Me ester C21H26O6 374.172938 NA MeJP NA NA +MJ049019 15,16-Epoxy-5-hydroxy-2,12-dioxo-1(10),13(16),14-halimatrien-18-oic acid; Me ester C21H26O6 374.172938 NA MeJP NA NA +MJ049020 2,14-Dihydroxycacalol; 2?-form, 9,14-Dipropanoyl C21H26O6 374.172938 NA MeJP NA NA +MJ049021 2,5-Epoxy-2,8-dihydroxy-1(10),3,11(13)-germacratrien-12,6-olide, O2-Et, 8-(2-methylpropenoyl) C21H26O6 374.172938 NA MeJP NA NA +MJ049022 2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-2,3-dihydro-6-hydroxy-3-methylbenzofuran, 3',4',5-Tri-Me ether C21H26O6 374.172938 NA MeJP NA NA +MJ049023 2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-2,3-dihydro-6-hydroxy-3-methylbenzofuran, 3',5,7-Tri-Me ether C21H26O6 374.172938 NA MeJP NA NA +MJ049024 2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-2,3-dihydro-6-hydroxy-3-methylbenzofuran, 3',4',5-Tri-Me ether C21H26O6 374.172938 NA MeJP NA NA +MJ049025 2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol, 3,3',5'-Tri-Me ether C21H26O6 374.172938 NA MeJP NA NA +MJ049026 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',4',5-Tri-Me ether C21H26O6 374.172938 NA MeJP NA NA +MJ049027 3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',4',5-Tri-Me ether C21H26O6 374.172938 NA MeJP NA NA +MJ049028 3,3',4,4',5-Pentahydroxy-7,7'-epoxylignan, 3,3',5-Tri-Me ether C21H26O6 374.172938 NA MeJP NA NA +MJ049029 3,3',4,4',7'-Pentahydroxy-7,9'-epoxylignan, 3,3',4'-Tri-Me ether C21H26O6 374.172938 NA MeJP NA NA +MJ049030 3,3',4,4',9,9'-Hexahydroxylignan, 3,4-Methylene, 3',4'-di-Me ether C21H26O6 374.172938 NA MeJP NA NA +MJ049031 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3',4-Tri-Me ether C21H26O6 374.172938 NA MeJP NA NA +MJ049032 3,4:15,16-Diepoxy-13(16),14-clerodadien-20,12-olid-18-oic acid, Me ester C21H26O6 374.172938 NA MeJP NA NA +MJ049033 3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 3,6-Dipropanoyl C21H26O6 374.172938 NA MeJP NA NA +MJ049034 3,7-Dihydroxy-11,12,13-trinor-1,9-eremophiladien-8-one, 3-(7-Carboxy-6-methyl-2,4-heptadienoyl) C21H26O6 374.172938 NA MeJP NA NA +MJ049035 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3',4'-Di-Me ether, 1-O-[(2-angeloyloxymethyl)-2Z-butenoyl] C21H26O6 374.172938 NA MeJP NA NA +MJ049036 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3',4'-Di-Me ether, 1-O-[(2-tigloyloxymethyl)-2Z-butenoyl] C21H26O6 374.172938 NA MeJP NA NA +MJ049037 4,6-Dihydroxy-1(10),11(13)-pseudoguaiadien-12,8-olide, 6-(Methylpropenoyl), 4-Ac C21H26O6 374.172938 NA MeJP NA NA +MJ049038 4-Hydroxy-16-nor-3,6,14-trioxo-7,11,15-cembratrien-19,10-olide, Et ether C21H26O6 374.172938 NA MeJP NA NA +MJ049039 6,11,12,14-Tetrahydroxy-5,8,11,13-abietatetraene-3,7-dione; 12-Me ether C21H26O6 374.172938 NA MeJP NA NA +MJ049040 7,8-Dihydro-5,7-dihydroxy-8,8-dimethyl-10-(1-oxobutyl)-4-propyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one C21H26O6 374.172938 NA MeJP NA NA +MJ049041 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 15-Carboxylic acid, 3-(3-methyl-2E-pentenoyl) C21H26O6 374.172938 NA MeJP NA NA +MJ049042 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo[2,3-h]-1-benzopyran-2-one C21H26O6 374.172938 NA MeJP NA NA +MJ049043 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-Angeloyl, Me ester C21H26O6 374.172938 NA MeJP NA NA +MJ049044 9,10-Epoxy-p-mentha-1,3,5-triene-2,5,8-triol; 2-Me ether, 5,8-ditigloyl C21H26O6 374.172938 NA MeJP NA NA +MJ049045 Biondinin A C21H26O6 374.172938 NA MeJP NA NA +MJ049046 Carinatidiol C21H26O6 374.172938 NA MeJP NA NA +MJ049047 Caulerpenyne C21H26O6 374.172938 NA MeJP NA NA +MJ049048 Cochleamycin A C21H26O6 374.172938 NA MeJP NA NA +MJ049049 Crovatin C21H26O6 374.172938 NA MeJP NA NA +MJ049050 Cyclonormammein C21H26O6 374.172938 NA MeJP NA NA +MJ049051 Eremantholide B; 17,18-Didehydro(Z-), Me ether C21H26O6 374.172938 NA MeJP NA NA +MJ049052 Ferrearin D C21H26O6 374.172938 NA MeJP NA NA +MJ049053 Fredericone D C21H26O6 374.172938 NA MeJP NA NA +MJ049054 Javanicin B; 16-Ketone C21H26O6 374.172938 NA MeJP NA NA +MJ049055 Kadsurin B C21H26O6 374.172938 NA MeJP NA NA +MJ049056 Morinin A; 4'-Angeloyloxy, 3-methoxy C21H26O6 374.172938 NA MeJP NA NA +MJ049057 Morinin A; 5'-Angeloyloxy, 3-methoxy C21H26O6 374.172938 NA MeJP NA NA +MJ049058 Omphamurin, O-(3-Methylbutanoyl) C21H26O6 374.172938 NA MeJP NA NA +MJ049059 Picrasin B; 2,3-Didehydro C21H26O6 374.172938 NA MeJP NA NA +MJ049060 Piperenone; 4'-O-De-Me C21H26O6 374.172938 NA MeJP NA NA +MJ049061 Pitholide C C21H26O6 374.172938 NA MeJP NA NA +MJ049062 Strobilurin I C21H26O6 374.172938 NA MeJP NA NA +MJ049063 Subexpinnatin C; 8-(2-Hydroxymethyl-2-propenoyl) C21H26O6 374.172938 NA MeJP NA NA +MJ049064 Virolin; 5-Methoxy, O4-de-Me C21H26O6 374.172938 NA MeJP NA NA +PJ000637 PCR C14H26N6O4S 374.1736 NA PeJP NA NA +C07045 Hydroxyzine C21H27ClN2O2 374.1761 NA KEGG NA NA +C07046 Transferred to D00342 C21H27ClN2O2 374.1761 NA KEGG NA NA +MJ049065 Hydroxyzine C21H27ClN2O2 374.176105 NA MeJP NA NA +PJ000638 VQE C15H26N4O7 374.1802 NA PeJP NA NA +8009 synthetic peptide LWG 374.184 antibacterial Inhouse_peptide NA peptide +MJ049066 Gelsedine; 14-Hydroxy, 11-methoxy C20H26N2O5 374.184171 NA MeJP NA NA +FL1C19NP0004 Spinochalcone C C25H26O3 374.18819 146959-79-7 knapsack NA NA +FL1C19NP0005 Spinochalcone B C25H26O3 374.18819 145039-93-6 knapsack NA NA +FL2F19NP0002 8-C-Prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone C25H26O3 374.18819 102673-83-6 knapsack NA NA +FL2F19NP0003 Maximaflavanone A C25H26O3 374.18819 159650-13-2 knapsack NA NA +MJ049067 7,8-Dihydro-2,2-dimethyl-10-(3-methyl-2-butenyl)-8-phenyl-2H,6H-benzo[1,2-b:5,6-b']dipyran-6-one C25H26O3 374.188194 NA MeJP NA NA +MJ049068 Maximaflavanone A C25H26O3 374.188194 NA MeJP NA NA +MJ049069 Spinochalcone B C25H26O3 374.188194 NA MeJP NA NA +MJ049070 Spinochalcone C C25H26O3 374.188194 NA MeJP NA NA +PJ000639 AER C14H26N6O6 374.1914 NA PeJP NA NA +MJ049071 11,12,13-Trinor-6-guaiene-2,4,10-triol, 4-O-?-D-Glucopyranoside C18H30O8 374.194067 NA MeJP NA NA +MJ049072 2-Methyl-6-methylene-2-octene-1,8-diol, 8-O-(2-Acetyl-?-D-glucopyranoside) C18H30O8 374.194067 NA MeJP NA NA +MJ049073 2-Methyl-6-methylene-2-octene-1,8-diol, 8-O-(6-Acetyl-?-D-glucopyranoside) C18H30O8 374.194067 NA MeJP NA NA +MJ049074 Antibiotic SEN 366D1; 2,3-Dihydro, 2-hydroxy C18H30O8 374.194067 NA MeJP NA NA +MJ049075 Cinatrin C1 C18H30O8 374.194067 NA MeJP NA NA +MJ049076 Cinatrin C2 C18H30O8 374.194067 NA MeJP NA NA +MJ049077 Cinatrin C3 C18H30O8 374.194067 NA MeJP NA NA +MJ049078 Cucurbic acid; 6,7-Diepimer, O-?-D-glucopyranoside C18H30O8 374.194067 NA MeJP NA NA +PJ000640 GLW C19H26N4O4 374.1954 NA PeJP NA NA +MJ049079 Piquizil C19H26N4O4 374.195405 NA MeJP NA NA +PJ000641 PKM C16H30N4O4S 374.1988 NA PeJP NA NA +MJ049080 Carmoxirole C24H26N2O2 374.199428 NA MeJP NA NA +MJ049081 Halfordinol; O-(3,7-Dimethyl-2,6-octadienyl) (E-) C24H26N2O2 374.199428 NA MeJP NA NA +MJ049082 Bengamide Z; N-De-Me C17H30N2O7 374.205301 NA MeJP NA NA +MJ049083 Trospectomycin C17H30N2O7 374.205301 NA MeJP NA NA +2699 NA SFLLRN 374.20595 MH2+ Inhouse_peptide NA peptide +C16781 Jasmolin II C22H30O5 374.2093 NA KEGG NA NA +HMDB11651 11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid C22H30O5 374.20932 NA HMDB2010 NA NA +MJ049084 1(10)-Guaiene-4,6,8-triol, 8-(4-Hydroxybenzoyl) C22H30O5 374.209324 NA MeJP NA NA +MJ049085 1,10-Epoxy-5-germacrene-4,8-diol; 8-(4-Hydroxybenzoyl) C22H30O5 374.209324 NA MeJP NA NA +MJ049086 1,3,5,7(14),10-Bisabolapentaene-1,2,4,8-tetrol; 2,4-Di-Me ether, 8-angeloyl C22H30O5 374.209324 NA MeJP NA NA +MJ049087 10,12-Dihydroxy-3-longipinen-5-one; 10?-form, 12-Angeloyl, 10-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049088 11,12-Epoxy-13-hydroxy-3,7,15(17)-cembratrien-16,2-olide, Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049089 11,15-Dihydroxy-9-oxo-5,13,17-prostatrienoic acid, 1,15-Lactone, 11-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049090 12-Hydroperoxy-10-hydroxy-8(13),10,14-epiamphilectatrien-9-one; 10-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049091 15,16-Epoxy-17-hydroxy-12-isocleistanthen-11-one; 3,4-Epoxide, Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049092 15,16-Epoxy-17-hydroxy-7,13(16),14-labdatrien-19-oic acid; Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049093 15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-18-oic acid, Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049094 15,16-Epoxy-3,13(16),14-clerodatriene-17,18-dioic acid; ent-form, Di-Me ester C22H30O5 374.209324 NA MeJP NA NA +MJ049095 15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 18-Carboxylic acid, 19-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049096 15,16-Epoxy-7-hydroxy-3,13(16),14-clerodatrien-18-oic acid, Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049097 16-Kaurene-3,6,11,15-tetrol, 6,15-Diketone, 3-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049098 17-Hydroxyestr-4-en-3-one; 17?-form, 17-(3-Carboxypropanoyl) C22H30O5 374.209324 NA MeJP NA NA +MJ049099 18-Hydroxy-19-oxo-1(9),6,13-xenicatrien-17,18-olide; Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049100 2,19-Epoxy-18-hydroxy-3,13-clerodadien-15,16-olide, 18-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049101 2,19-Epoxy-18-hydroxy-3,13-clerodadien-16,15-olide, Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049102 2,7,14-Trihydroxy-16-kauren-15-one, 2-Ketone, 14-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049103 2-(3-Hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentaneheptanoic acid C22H30O5 374.209324 NA MeJP NA NA +MJ049104 3,19-Dihydroxy-13(16),14-spongiadien-2-one, 3-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049105 3,3',4,4',7-Pentahydroxylignan, 3,3',4,4'-Tetra-Me ether C22H30O5 374.209324 NA MeJP NA NA +MJ049106 3,4-Epoxy-13-hydroxy-7,11,15(17)-cembratrien-16,14-olide, Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049107 3,4-Epoxy-14-hydroxy-7,11,15(17)-cembratrien-16,2-olide, Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049108 3,4-Epoxy-8,10-guaianediol; 8-(4-Hydroxybenzoyl) C22H30O5 374.209324 NA MeJP NA NA +MJ049109 3,7,11,15(17)-Cembratetraen-16,14-olide, 3?,4?-Epoxide, 18-acetoxy C22H30O5 374.209324 NA MeJP NA NA +MJ049110 3,7,14-Trihydroxy-16-kauren-15-one, 3-Ketone, 14-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049111 3,7,14-Trihydroxy-16-kauren-15-one, 3-Ketone, 7-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049112 3-(4,6,8-Dodecatrienyloxy)-1,2-propanediol, 2-O-(4-Hydroxybenzoyl) C22H30O5 374.209324 NA MeJP NA NA +MJ049113 3-(4,6,8-Dodecatrienyloxy)-1,2-propanediol, 3-O-(4-Hydroxybenzoyl) C22H30O5 374.209324 NA MeJP NA NA +MJ049114 4,5-Epoxy-1(10)-germacrene-6,8-diol, 4-Hydroxybenzoyl C22H30O5 374.209324 NA MeJP NA NA +MJ049115 4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-(4-Hydroxybenzoyl) C22H30O5 374.209324 NA MeJP NA NA +MJ049116 5,11-Dihydroxy-1-silphinen-3-one; 5-Angeloyl, 11-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049117 5,11-Dihydroxy-1-silphinen-3-one; 5-Tigloyl, 11-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049118 6,14-Dihydroxy-3,7,11,15(17)-cembratetraen-16,2-olide, 14-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049119 6,14-Dihydroxy-3,7,11,15(17)-cembratetraen-16,2-olide, 6-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049120 6,7,18-Trihydroxy-16-kauren-19-oic acid, 19?6 Lactone, 18-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049121 7,12-Dihydroxy-8,12-abietadiene-11,14-dione; 7?-form, 7-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049122 7,20:19,20-Diepoxy-15-atisene-6,19-diol, 6-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049123 7,8-Epoxy-1(15),3,11-cembratrien-16,2-olide, 13-Acetoxy C22H30O5 374.209324 NA MeJP NA NA +MJ049124 7-Hydroxy-18-oxo-3,13-clerodadien-16,15-olide, Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049125 7-Hydroxy-2-oxo-3,13-clerodadien-15,16-olide, Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049126 8(14)-Daucene-4,6,9-triol, 6-(4-Hydroxybenzoyl) C22H30O5 374.209324 NA MeJP NA NA +MJ049127 8,12-Abietadiene-6,7,11,14-tetrone; 7,7-Covalent hydrate, di-Me ether C22H30O5 374.209324 NA MeJP NA NA +MJ049128 8,14-Dihydroxy-1(19),6,10,12-xenicatetraen-18,17-olide; 8?-form, 8-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049129 8,9-Epoxy-4,6-daucanediol, 6-(4-Hydroxybenzoyl) C22H30O5 374.209324 NA MeJP NA NA +MJ049130 8-Daucene-2,4,6-triol, 6-(4-Hydroxybenzoyl) C22H30O5 374.209324 NA MeJP NA NA +MJ049131 8-Daucene-4,6,14-triol, 6-(4-Hydroxybenzoyl) C22H30O5 374.209324 NA MeJP NA NA +MJ049132 8-Daucene-4,6-diol, 6-(3,4-Dihydroxybenzoyl) C22H30O5 374.209324 NA MeJP NA NA +MJ049133 9,11-Epoxy-1,6-dihydroxy-16-kauren-15-one, 1-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049134 9-Daucene-4,6,8-triol, 6-(4-Hydroxybenzoyl) C22H30O5 374.209324 NA MeJP NA NA +MJ049135 Amphidinolide P C22H30O5 374.209324 NA MeJP NA NA +MJ049136 Antibiotic L 671776 C22H30O5 374.209324 NA MeJP NA NA +MJ049137 Cannabielsoic acid A C22H30O5 374.209324 NA MeJP NA NA +MJ049138 Cannabielsoic acid B C22H30O5 374.209324 NA MeJP NA NA +MJ049139 Cicaprost C22H30O5 374.209324 NA MeJP NA NA +MJ049140 Elisabethin A; 2?-Hydroxy, 16-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049141 Furanoeremophil-1(10)-ene-3,6-diol, 6-(3-Methylbutanoyl), 3-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049142 Furanoeremophilane-1,6-diol, 1-(3-Methyl-2-butenoyl), 6-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049143 Furanoeremophilane-1,6-diol, 1-Angeloyl, 6-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049144 Furanoeremophilane-1,6-diol, 1-Tigloyl, 6-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049145 Furanoeremophilane-2,3-diol, 2-Ac, 3-angeloyl C22H30O5 374.209324 NA MeJP NA NA +MJ049146 Furanoeremophilane-2,3-diol, 3-Ac, 2-(3-methyl-2-butenoyl) C22H30O5 374.209324 NA MeJP NA NA +MJ049147 Furanoeremophilane-2,3-diol, 3-Ac, 2-angeloyl C22H30O5 374.209324 NA MeJP NA NA +MJ049148 Furanoeremophilane-3,6-diol, 3-O-Angeloyl, 6-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049149 Furanoeremophilane-3,6-diol, 6-O-Angeloyl, 3-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049150 Gelomulide C; 3?-Alcohol, 3-Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049151 Guanacastepene C22H30O5 374.209324 NA MeJP NA NA +MJ049152 Hebemacrophyllide; 6-Epimer, 7?-acetoxy C22H30O5 374.209324 NA MeJP NA NA +MJ049153 Hebemacrophyllide; 7?-Acetoxy C22H30O5 374.209324 NA MeJP NA NA +MJ049154 Illustrol; Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049155 Jaspiferal E C22H30O5 374.209324 NA MeJP NA NA +MJ049156 Lobophytol; Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049157 Lobophytum lactone; Ac C22H30O5 374.209324 NA MeJP NA NA +MJ049158 Macrophorin A; 3-Oxo C22H30O5 374.209324 NA MeJP NA NA +MJ049159 Methylprednisolone C22H30O5 374.209324 NA MeJP NA NA +MJ049160 Pyrethrin II; 4',5'-Dihydro C22H30O5 374.209324 NA MeJP NA NA +MJ049161 Rosmanol; 11,12-Di-Me ether C22H30O5 374.209324 NA MeJP NA NA +MJ049162 Rosmanol; 7-Epimer, 7-Et ether C22H30O5 374.209324 NA MeJP NA NA +MJ049163 Rosmanol; 7-Et ether C22H30O5 374.209324 NA MeJP NA NA +MJ049164 Sarcodontic acid; 4,5-Didehydro C22H30O5 374.209324 NA MeJP NA NA +MJ049165 Sarsolenone C22H30O5 374.209324 NA MeJP NA NA +MJ049166 Sequoiatone B C22H30O5 374.209324 NA MeJP NA NA +MJ049167 Shikoccin C22H30O5 374.209324 NA MeJP NA NA +MJ049168 Tridachiapyrone G; 13-Hydroperoxide C22H30O5 374.209324 NA MeJP NA NA +MJ049169 Verecynarmin G C22H30O5 374.209324 NA MeJP NA NA +MJ049170 Wedeliasecokaurenolide; 3?-Acetoxy C22H30O5 374.209324 NA MeJP NA NA +PJ000642 VKE C16H30N4O6 374.2166 NA PeJP NA NA +MJ049171 Ochropposinineoxindole C21H30N2O4 374.220557 NA MeJP NA NA +MJ049172 14-Chloro-8,12-epoxy-13,15,16-labdanetriol C20H35ClO4 374.222387 NA MeJP NA NA +PJ000643 SLR C15H30N6O5 374.2278 NA PeJP NA NA +MJ049173 Tinabinol C23H34O2S 374.227951 NA MeJP NA NA +MJ049174 5-Megastigmene-3,9-diol, 3-O-?-D-Glucopyranoside C19H34O7 374.230453 NA MeJP NA NA +MJ049175 5-Megastigmene-3,9-diol, 9-O-?-D-Glucopyranoside C19H34O7 374.230453 NA MeJP NA NA +MJ049176 7-Megastigmene-3,9-diol, 3-O-?-D-Glucopyranoside C19H34O7 374.230453 NA MeJP NA NA +MJ049177 Picrionoside B C19H34O7 374.230453 NA MeJP NA NA +HMDB06472 Calcitroic acid C23H34O4 374.245697 NA HMDB2010 NA NA +HMDB06472 Calcitroic acid (D3) C23H34O4 374.2457 http://www.hmdb.ca/metabolites/HMDB06472 HMDB NA NA +C15324 Androst-4-ene-3beta,17beta-diol diacetate C23H34O4 374.2457 NA KEGG NA NA +C15423 Androst-4-ene-3alpha,17beta-diol diacetate C23H34O4 374.2457 NA KEGG NA NA +HMDB06472 Calcitroic acid (D3) C23H34O4 374.2457 HMDB06472 PFEM_hmdb_metabocards_official NA NA +MJ049178 1,3-Dihydroxy-24-nor-9,10-secochola-5,7,10(19)-trien-23-oic acid C23H34O4 374.245709 NA MeJP NA NA +MJ049179 13(17)-Villanoven-7-ol, Malonyl C23H34O4 374.245709 NA MeJP NA NA +MJ049180 15-Beyeren-19-ol; ent-form, Malonate C23H34O4 374.245709 NA MeJP NA NA +MJ049181 16-Kauren-14-ol, (2-Carboxymethyl) ester C23H34O4 374.245709 NA MeJP NA NA +MJ049182 17,18-Epoxy-1(19),6,10,13-xenicatetraene-17,18-diol, 17-Me ether, 18-Ac C23H34O4 374.245709 NA MeJP NA NA +MJ049183 21,23-Epoxy-24-norchola-20,22-diene-3,14,17-triol C23H34O4 374.245709 NA MeJP NA NA +MJ049184 3,14-Dihydroxycard-20(22)-enolide C23H34O4 374.245709 NA MeJP NA NA +MJ049185 3,21-Dihydroxypregn-5-en-20-one, 21-Ac C23H34O4 374.245709 NA MeJP NA NA +MJ049186 3-Heptadecyl-2,5-dihydroxybenzoquinone; 8',9',11',12'-Tetradehydro (Z,Z-) C23H34O4 374.245709 NA MeJP NA NA +MJ049187 5-Hydroxy-2-oxo-1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-3-cyclohexene-1-acetic acid C23H34O4 374.245709 NA MeJP NA NA +MJ049188 7,13-Corymbidienolide C23H34O4 374.245709 NA MeJP NA NA +MJ049189 7,14-Dihydroxycard-20(22)-enolide C23H34O4 374.245709 NA MeJP NA NA +MJ049190 7,15-Isopimaradien-17-ol, Malonyl C23H34O4 374.245709 NA MeJP NA NA +MJ049191 7,15-Isopimaradien-19-ol, O-Malonyl C23H34O4 374.245709 NA MeJP NA NA +MJ049192 7,15-Pimaradien-18-ol, Malonoyl C23H34O4 374.245709 NA MeJP NA NA +MJ049193 7,15-Pimaradien-2-ol, Malonoyl ester C23H34O4 374.245709 NA MeJP NA NA +MJ049194 7,18-Trachylobanediol, 7-Ac, 18-formyl C23H34O4 374.245709 NA MeJP NA NA +MJ049195 8(17),12,14-Labdatrien-19-ol, Malonoyl ester C23H34O4 374.245709 NA MeJP NA NA +MJ049196 9(11),15-Isopimaradien-19-ol; ent-form, 19-Malonyl ester C23H34O4 374.245709 NA MeJP NA NA +MJ049197 Buxahejrine C23H34O4 374.245709 NA MeJP NA NA +MJ049198 Chiogralactone C23H34O4 374.245709 NA MeJP NA NA +MJ049199 Plakortolide C C23H34O4 374.245709 NA MeJP NA NA +MJ049200 Pregna-5,20-diene-3,7,11-triol, 3-Ac C23H34O4 374.245709 NA MeJP NA NA +MJ049201 Folicanthine C24H30N4 374.247046 NA MeJP NA NA +MJ049202 Antibiotic Y 03873J-A C17H34N4O5 374.25292 NA MeJP NA NA +MJ049203 Anhydroperipentamine C22H34N2O3 374.256942 NA MeJP NA NA +MJ049204 Kalihinene; 6?-Hydroxy, 10-formamide C22H34N2O3 374.256942 NA MeJP NA NA +MJ049205 Kalihinene; 6?-Hydroxy, 15-formamide C22H34N2O3 374.256942 NA MeJP NA NA +MJ049206 Mycaleoxime C22H34N2O3 374.256942 NA MeJP NA NA +MJ049207 Peripentadenine C22H34N2O3 374.256942 NA MeJP NA NA +MJ049208 Trapencaine C22H34N2O3 374.256942 NA MeJP NA NA +MJ049209 Lipoxamycin; 10'-Alcohol C19H38N2O5 374.278072 NA MeJP NA NA +MJ049210 1-(4-Hydroxyphenyl)-5-octadecanone; 3'-Hydroxy, 13,14-didehydro (Z)- C24H38O3 374.282095 NA MeJP NA NA +MJ049211 10-Hydroxy-7,11,13,16,19-docosapentaenoic acid, Et ester C24H38O3 374.282095 NA MeJP NA NA +MJ049212 17-Hydroxyandrostan-3-one, 17-Pentanoyl C24H38O3 374.282095 NA MeJP NA NA +MJ049213 2-Heptadecyl-6-hydroxybenzoic acid; 10',11'-Didehydro(Z-) C24H38O3 374.282095 NA MeJP NA NA +MJ049214 2-Heptadecyl-6-hydroxybenzoic acid; 12',13'-Didehydro(Z-) C24H38O3 374.282095 NA MeJP NA NA +MJ049215 2-Heptadecyl-6-hydroxybenzoic acid; 8',9'-Didehydro(Z-) C24H38O3 374.282095 NA MeJP NA NA +MJ049216 3,6-Dihydroxy-4,4,14-trimethylpregn-8-en-20-one C24H38O3 374.282095 NA MeJP NA NA +MJ049217 3-Heptadecyl-2,5-dihydroxybenzoquinone; 2-Deoxy, 10',11'Z-didehydro C24H38O3 374.282095 NA MeJP NA NA +MJ049218 3-Hydroxychol-11-en-24-oic acid C24H38O3 374.282095 NA MeJP NA NA +MJ049219 4,5-Dihydro-4-hydroxy-5-methyl-3-(13-phenyltridecyl)-2(3H)-furanone C24H38O3 374.282095 NA MeJP NA NA +MJ049220 6,13-Epoxy-4(18),8-eunicelladien-12-ol, Butanoyl C24H38O3 374.282095 NA MeJP NA NA +MJ049221 9,13-Epoxy-7,14-labdadien-6-ol, Butanoyl C24H38O3 374.282095 NA MeJP NA NA +MJ049222 Canbisol C24H38O3 374.282095 NA MeJP NA NA +MJ049223 Dietrichequinone C24H38O3 374.282095 NA MeJP NA NA +MJ049224 Raspailol A C24H38O3 374.282095 NA MeJP NA NA +MJ049225 Rhopaloic acid A C24H38O3 374.282095 NA MeJP NA NA +MetaCyc03254 3-oxo-5-β-cholanate [] C24H38O3 374.282095 NA metacyc NA NA +HMDB00308 3b-Hydroxy-5-cholenoic acid C24H38O3 374.2821 http://www.hmdb.ca/metabolites/HMDB00308 HMDB NA NA +C03070 3-Oxo-5beta-cholanate C24H38O3 374.2821 NA KEGG NA NA +C14991 3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one C24H38O3 374.2821 NA KEGG NA NA +C15345 3beta-[(Tetrahydro-2H-pyran-2-yl)oxy]androst-5-en-17beta-ol C24H38O3 374.2821 NA KEGG NA NA +HMDB00308 3b-Hydroxy-5-cholenoic acid C24H38O3 374.2821 HMDB00308 PFEM_hmdb_metabocards_official NA NA +HMDB00308 3b-Hydroxy-5-cholenoic acid C24H38O3 374.282104 NA HMDB2010 NA NA +MJ049226 3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxy-12-methyltridecanoyl) C23H38N2O2 374.293328 NA MeJP NA NA +MJ049227 24,25-Dinor-1,3,5,7,9-arborinapentaene C28H38 374.297351 NA MeJP NA NA +MJ049228 Xylose; ?-D-Pyranose-form, Hexadecyl glycoside C21H42O5 374.303224 NA MeJP NA NA +MJ049229 1-Hydroxy-2,5,16-pentacosatrien-4-one, Aldehyde C25H42O2 374.31848 NA MeJP NA NA +MJ049230 1-Hydroxy-2,5,18-pentacosatrien-4-one, Aldehyde C25H42O2 374.31848 NA MeJP NA NA +MJ049231 1-Hydroxy-2,5,20-pentacosatrien-4-one, Aldehyde C25H42O2 374.31848 NA MeJP NA NA +MJ049232 16-Pentacosene-2,4-diyne-1,6-diol C25H42O2 374.31848 NA MeJP NA NA +MJ049233 4,4,14,20-Tetramethylpregn-8-ene-3,22-diol C25H42O2 374.31848 NA MeJP NA NA +MJ049234 5-Heptadecyl-1,3-benzenediol; 10',11'-Didehydro(Z-), di-Me ether C25H42O2 374.31848 NA MeJP NA NA +MJ049235 5-Nonadecyl-1,3-benzenediol; 14',15'-Didehydro(Z-) C25H42O2 374.31848 NA MeJP NA NA +MJ049236 Albocerol C25H42O2 374.31848 NA MeJP NA NA +MJ049237 Albolineol C25H42O2 374.31848 NA MeJP NA NA +MJ049238 Cericerol II C25H42O2 374.31848 NA MeJP NA NA +MJ049239 Floridenol; 5?-Hydroxy C25H42O2 374.31848 NA MeJP NA NA +MJ049240 Geranylfarnesol, 20-Hydroxy C25H42O2 374.31848 NA MeJP NA NA +MJ049241 3,20-Diaminopregn-5-en-15-ol, N3,N20,N20-Tri-Me C24H42N2O 374.329713 NA MeJP NA NA +MJ049242 Buxus Alkaloid B C24H42N2O 374.329713 NA MeJP NA NA +MJ049243 Buxus Alkaloid C C24H42N2O 374.329713 NA MeJP NA NA +MJ049244 Chonemorphineyl C24H42N2O 374.329713 NA MeJP NA NA +MJ049245 Cyclobuxamine I; N20-Me C24H42N2O 374.329713 NA MeJP NA NA +MJ049246 Holaline C24H42N2O 374.329713 NA MeJP NA NA +MJ049247 Pregnane-3,20-diamine, N3,N3-Di-Me, N20-formyl C24H42N2O 374.329713 NA MeJP NA NA +MJ049248 19-Norcholestan-3-ol C26H46O 374.354866 NA MeJP NA NA +MJ049249 26,27-Dinorergostan-3-ol C26H46O 374.354866 NA MeJP NA NA +MJ049250 Pregnane-3,20-diamine, N3,N3,N20,N20-Tetra-Me C25H46N2 374.366099 NA MeJP NA NA +MJ049251 1,18,20-Heptacosatriene C27H50 374.391251 NA MeJP NA NA +MJ049252 1,3,18-Heptacosatriene C27H50 374.391251 NA MeJP NA NA +2602 tachykinin family from white shrimp Penaeus vannam ASFSPWG~ 374.6685 MH2+ Inhouse_peptide NA peptide +C11067 MC-3761 C14H8Cl3NO5 374.9468 NA KEGG NA NA +MJ049253 Bromuconazole C13H12BrCl2N3O 374.95408 NA MeJP NA NA +MJ049254 Amminedichloro(2-methylpyridine)platinum C6H10Cl2N2Pt 374.986878 NA MeJP NA NA +MJ049255 3-(2-Carboxy-2-phenylethenyl)-4,6-dichloro-1H-indole-2-carboxylic acid C18H11Cl2NO4 375.006513 NA MeJP NA NA +MJ049256 2-Bromo-4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenol C16H14BrN3O3 375.021853 NA MeJP NA NA +MJ049257 5-(4-Bromobenzoyl)-5H-dibenz[b,f]azepine C21H14BrNO 375.025876 NA MeJP NA NA +C11182 Prochloraz C15H16Cl3N3O2 375.0308 NA KEGG NA NA +C11183 Transferred to D01048 C15H16Cl3N3O2 375.0308 NA KEGG NA NA +C11031 Haloxyfop methyl C16H13ClF3NO4 375.0485 NA KEGG NA NA +MJ049258 1-Methylpropyl glucosinolate C11H21NO9S2 375.065772 NA MeJP NA NA +MJ049259 2-Methylpropyl glucosinolate C11H21NO9S2 375.065772 NA MeJP NA NA +MJ049260 Butyl glucosinolate C11H21NO9S2 375.065772 NA MeJP NA NA +C08407 Glucocochlearin C11H21NO9S2 375.0658 NA KEGG NA NA +C17256 2-Methylpropyl glucosinolate C11H21NO9S2 375.0658 NA KEGG NA NA +MJ049261 Maribavir C15H19Cl2N3O4 375.075261 NA MeJP NA NA +MJ049262 Gravacridonolchlorine C19H18ClNO5 375.08735 NA MeJP NA NA +MJ049263 Azidocillin C16H17N5O4S 375.100124 NA MeJP NA NA +MJ049264 Brequinar C23H15F2NO2 375.107085 NA MeJP NA NA +MJ049265 Cinaproxen C19H21NO5S 375.114043 NA MeJP NA NA +MJ049266 Euxylophoricine D; 7,8-Didehydro C21H17N3O4 375.121906 NA MeJP NA NA +MJ049267 Tidembersat C20H19F2NO4 375.128214 NA MeJP NA NA +MJ049268 Tiagabine C20H25NO2S2 375.13267 NA MeJP NA NA +C07503 Tiagabine C20H25NO2S2 375.1327 NA KEGG NA NA +MJ049269 Ruzadolane C18H19F2N5S 375.132922 NA MeJP NA NA +PJ000644 NNE C13H21N5O8 375.139 NA PeJP NA NA +C01814 Haloperidol C21H23ClFNO2 375.1401 NA KEGG NA NA +C01815 Heavy metal C21H23ClFNO2 375.1401 NA KEGG NA NA +MJ049270 Haloperidol C21H23ClFNO2 375.140134 NA MeJP NA NA +PJ000645 PEM C15H25N3O6S 375.1464 NA PeJP NA NA +MJ049271 Dioncolactone A C23H21NO4 375.147058 NA MeJP NA NA +MJ049272 Xenazoic acid C23H21NO4 375.147058 NA MeJP NA NA +MJ049273 Simmondsin C16H25NO9 375.152931 NA MeJP NA NA +MJ049274 Theodrenaline C17H21N5O5 375.154268 NA MeJP NA NA +PJ000646 GNW C17H21N5O5 375.1543 NA PeJP NA NA +MJ049275 Almazole D C22H21N3O3 375.158291 NA MeJP NA NA +MJ049276 Cynodine; N1-De-Me C22H21N3O3 375.158291 NA MeJP NA NA +MJ049277 Cystodytins; Cystodytin C C22H21N3O3 375.158291 NA MeJP NA NA +MJ049278 Icajine; N-De-Me, N-cyano C22H21N3O3 375.158291 NA MeJP NA NA +C07661 Gatifloxacin C19H22FN3O4 375.1594 NA KEGG NA NA +MJ049279 Gatifloxacin C19H22FN3O4 375.159434 NA MeJP NA NA +MJ049280 2-[4-(4-Fluorobenzoyl)-1-piperidinyl]-1-(2-naphthalenyl)ethanone C24H22FNO2 375.163457 NA MeJP NA NA +PJ000647 VEE C15H25N3O8 375.1642 NA PeJP NA NA +3372 ACE inhibitor from b-CN (179-181) PYP 375.167 celiac toxic Inhouse_peptide NA peptide +MJ049281 Antibiotic UCS 1025A; 6-Hydroxy C20H25NO6 375.168187 NA MeJP NA NA +MJ049282 Antibiotic UCS 1025B C20H25NO6 375.168187 NA MeJP NA NA +MJ049283 Longanine; 6-Ketone, 8-Me ether C20H25NO6 375.168187 NA MeJP NA NA +MJ049284 Narcissidine; O3-Ac C20H25NO6 375.168187 NA MeJP NA NA +MJ049285 Roemecarine, 2?-N-Oxide C20H25NO6 375.168187 NA MeJP NA NA +MJ049286 Seneciphylline; O-Ac C20H25NO6 375.168187 NA MeJP NA NA +2863 NA YPFVEP 375.1725 MH2+ Inhouse_peptide NA peptide +MJ049287 1,1,1-Tri-(1H-indol-3-yl)ethane C26H21N3 375.173547 NA MeJP NA NA +PJ000648 NDK C14H25N5O7 375.1754 NA PeJP NA NA +PJ000649 PPY C19H25N3O5 375.1794 NA PeJP NA NA +C12962 Cyphenothrin C24H25NO3 375.1834 NA KEGG NA NA +C12963 Transferred to D01512 C24H25NO3 375.1834 NA KEGG NA NA +C12964 Transferred to D01513 C24H25NO3 375.1834 NA KEGG NA NA +C12965 Transferred to D01514 C24H25NO3 375.1834 NA KEGG NA NA +C12966 Transferred to D01515 C24H25NO3 375.1834 NA KEGG NA NA +MJ049288 Murrayamine J; 1-Methoxy C24H25NO3 375.183443 NA MeJP NA NA +MJ049289 Severifoline; N-Me C24H25NO3 375.183443 NA MeJP NA NA +PJ000650 SNR C13H25N7O6 375.1866 NA PeJP NA NA +PJ000651 GGSR C13H25N7O6 375.1867 NA PeJP NA NA +MJ049290 Metazosin C18H25N5O4 375.190654 NA MeJP NA NA +MJ049291 Neldazosin C18H25N5O4 375.190654 NA MeJP NA NA +MJ049292 3-[3-(Dimethylamino)propyl]-4-hydroxy-N-[4-(4-pyridinyl)phenyl]benzamide C23H25N3O2 375.194677 NA MeJP NA NA +MJ049293 4-[5-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-quinoxalinyl)-1H-pyrrol-2-yl]benzoic acid C23H25N3O2 375.194677 NA MeJP NA NA +MJ049294 Icopezil C23H25N3O2 375.194677 NA MeJP NA NA +MJ049295 Antibiotic BE 16627; Antibiotic BE 16627B C16H29N3O7 375.20055 NA MeJP NA NA +MJ049296 Alkaloid CC-3b C21H29NO5 375.204573 NA MeJP NA NA +MJ049297 Athrocupressine; Me ether, 1?,6?-epoxide C21H29NO5 375.204573 NA MeJP NA NA +MJ049298 Athrocupressine; Me ether, 2?-Hydroxy C21H29NO5 375.204573 NA MeJP NA NA +MJ049299 Galanthamine, 1,2-Dihydro, O-(3S-hydroxybutanoyl) C21H29NO5 375.204573 NA MeJP NA NA +MJ049300 Haemanthamine, Dihydro, O-(2-hydroxybutyl) C21H29NO5 375.204573 NA MeJP NA NA +PJ000652 TQK C15H29N5O6 375.2118 NA PeJP NA NA +PJ000653 PLF C20H29N3O4 375.2158 NA PeJP NA NA +MJ049301 Cadiamine; O8-(2-Pyrrolecarboxylate) C20H29N3O4 375.215806 NA MeJP NA NA +PJ000654 LLM C17H33N3O4S 375.2192 NA PeJP NA NA +MJ049302 Prenoverine C25H29NO2 375.219829 NA MeJP NA NA +MJ049303 Phenylalaninylarginal; N2-(2-Methylpropanoyl) C19H29N5O3 375.227039 NA MeJP NA NA +MJ049304 Pipamperone C21H30FN3O2 375.232205 NA MeJP NA NA +MJ049305 17-Amino-3,7,11-cembratrien-16,2-olid-19-oic acid, N,N-Di-Me C22H33NO4 375.240958 NA MeJP NA NA +MJ049306 Heterophylline; O1-Me C22H33NO4 375.240958 NA MeJP NA NA +MJ049307 Isostemonine C22H33NO4 375.240958 NA MeJP NA NA +MJ049308 Lepenine; N-Oxide C22H33NO4 375.240958 NA MeJP NA NA +MJ049309 Napelline; 12-Epimer, N-oxide C22H33NO4 375.240958 NA MeJP NA NA +MJ049310 Napelline; N-Oxide C22H33NO4 375.240958 NA MeJP NA NA +MJ049311 Pentagydine; 7-Deoxy C22H33NO4 375.240958 NA MeJP NA NA +MJ049312 Sinulamine II; O13-De-Ac, 13-ketone C22H33NO4 375.240958 NA MeJP NA NA +MJ049313 Spiramine H; 1?-Hydroxy C22H33NO4 375.240958 NA MeJP NA NA +MJ049314 Spiramine H; 1?-Hydroxy C22H33NO4 375.240958 NA MeJP NA NA +MJ049315 Spiramine P C22H33NO4 375.240958 NA MeJP NA NA +MJ049316 Stemonine C22H33NO4 375.240958 NA MeJP NA NA +MJ049317 Tuberostemonine C22H33NO4 375.240958 NA MeJP NA NA +MJ049318 Turpelline C22H33NO4 375.240958 NA MeJP NA NA +MJ049319 Dendroxine; 6-Hydroxy, N-(3-methyl-2-butenyl) C22H34NO4(+) 375.240958 NA MeJP NA NA +C08689 Icaceine C22H33NO4 375.241 NA KEGG NA NA +MJ049320 Antibiotic KA 6606XVI C16H33N5O5 375.248169 NA MeJP NA NA +MJ049321 Antibiotic Y 03873J C16H33N5O5 375.248169 NA MeJP NA NA +PJ000655 TKK C16H33N5O5 375.2482 NA PeJP NA NA +MJ049322 Geneseroline, Heptylcarbamate ester C21H33N3O3 375.252191 NA MeJP NA NA +C13829 7,10,13,16-Docosatetraenoylethanolamine C24H41NO2 375.3137 NA KEGG NA NA +HMDB13626 Adrenoyl ethanolamide C24H41NO2 375.313721 NA HMDB2010 NA NA +MJ049323 2-Phenylethylamine; N-(9-Hydroxyhexadecanoyl) C24H41NO2 375.313729 NA MeJP NA NA +MJ049324 20-Aminopregn-5-ene-3,16-diol, N-Di-Me, 3-Me ether C24H41NO2 375.313729 NA MeJP NA NA +MJ049325 Mycalazoles; Mycalazole 4 C24H41NO2 375.313729 NA MeJP NA NA +MJ049326 2,14-Eicosadienoic acid, Piperidide C25H45NO 375.350115 NA MeJP NA NA +MJ049327 2,4-Eicosadienoic acid, Piperidide C25H45NO 375.350115 NA MeJP NA NA +MJ049328 3-Alkyl-1H-pyrrole-2-carboxaldehyde; 3-Eicosyl-1H-pyrrole-2-carboxaldehyde C25H45NO 375.350115 NA MeJP NA NA +8153 peptide from Okara protein - soybean lipoxygenase-1 TIIPLPV 375.7355 MH2+ Inhouse_peptide NA peptide +8154 peptide from Okara protein - soybean lipoxygenase-1 TIIPLPV 375.7355 MH2+ Inhouse_peptide NA peptide +C18148 Octachlorostyrene C8Cl8 375.7508 NA KEGG NA NA +MJ049329 5,8-Dibromo-2,6-dichloro-2,6-dimethyl-3,7-octadienal C10H12Br2Cl2O 375.863195 NA MeJP NA NA +MJ049330 1,1,3-Tribromo-2-nonanone C9H15Br3O 375.867303 NA MeJP NA NA +MJ049331 2,2'-Thiobis[4-chloro-6-nitrophenol] C12H6Cl2N2O6S 375.932362 NA MeJP NA NA +MJ049332 Ambroxol C13H18Br2N2O 375.978588 NA MeJP NA NA +MJ049333 4-Amino-7-(5-deoxyribosyl)-5-iodopyrrolo[2,3-d]pyrimidine; 1'?-form C11H13IN4O3 376.003233 NA MeJP NA NA +MJ049334 4-Amino-7-(5-deoxyribosyl)-5-iodopyrrolo[2,3-d]pyrimidine; 1'?-form C11H13IN4O3 376.003233 NA MeJP NA NA +MJ049335 9,15-Dibromo-1,3(15)-chamigradien-7-ol C15H22Br2O 376.00374 NA MeJP NA NA +MJ049336 Perforatone C15H22Br2O 376.00374 NA MeJP NA NA +MJ049337 N?-(1H-Indol-3-ylcarbonyl)histidine, 6'-Bromo C15H13BrN4O3 376.017102 NA MeJP NA NA +MJ049338 ?-(1H-Indol-3-ylcarbonyl)histidine, 6'-Bromo C15H13BrN4O3 376.017102 NA MeJP NA NA +MJ049339 Haloxazolam C17H14BrFN2O2 376.022268 NA MeJP NA NA +MJ049340 Nortopsentin A; 6'-Debromo C19H13BrN4 376.032359 NA MeJP NA NA +MJ049341 Nortopsentin A; 6-Debromo C19H13BrN4 376.032359 NA MeJP NA NA +MJ049342 Phyllopsorin C18H13ClO7 376.03498 NA MeJP NA NA +MJ049343 Ethyl dirazepate C18H14Cl2N2O3 376.038147 NA MeJP NA NA +MJ049344 Galactaric acid; 2-O-(3,4,5-Trihydroxybenzoyl), 1-Me ester C14H16O12 376.064175 NA MeJP NA NA +MJ049345 Galactaric acid; 2-O-(3,4,5-Trihydroxybenzoyl), 6-Me ester C14H16O12 376.064175 NA MeJP NA NA +MJ049346 3',4'-Deoxypsorospermin, 3',4'-Dihydro, 3'-hydroxy, 4'-chloro C19H17ClO6 376.071365 NA MeJP NA NA +MJ049347 Ciprazafone C19H18Cl2N2O2 376.074533 NA MeJP NA NA +JH224 Chlorogenic acid [M+Na]+ NA 376.0776 11.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH224 Chlorogenic acid [M+Na]+ NA 376.0776 11.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH224 Chlorogenic acid [M+Na]+ NA 376.0776 11.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH224 Chlorogenic acid [M+Na]+ NA 376.0776 11.5 Inhousejuil11 NA NA +FL3FG8NS0008 5,7,3',6'-Tetrahydroxy-6,8,2'-trimethoxyflavone;2-(3,6-Dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one C18H16O9 376.07943 160389-07-1 knapsack NA NA +FL3FGGNS0011 5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone C18H16O9 376.07943 147025-58-9 knapsack NA NA +FL3FGLNS0001 5,7,2',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone C18H16O9 376.07943 102673-76-7 knapsack NA NA +FL4DECNS0001 3,5,7,3',4'-Pentahydroxy-6-methoxyflavanone 3-acetate C18H16O9 376.07943 130926-70-4 knapsack NA NA +FL4DG9NS0001 Plumbaginol;3,5,3'-Trihydroxy-8,5'-dimethyoxy-6,7-methylenedioxyflavanone C18H16O9 376.07943 155521-00-9 knapsack NA NA +FL5FEGNS0003 5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone C18H16O9 376.07943 71325-91-2 knapsack NA NA +FL5FEGNS0004 5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone C18H16O9 376.07943 74517-68-3 knapsack NA NA +FL5FEGNS0005 5,6,7,4'-Tetrahydroxy-3,3',5'-trimethoxyflavone C18H16O9 376.07943 72357-38-1 knapsack NA NA +FL5FEGNS0006 3,5,7,3'-Tetrahydroxy-6,4',5'-trimethoxyflavone C18H16O9 376.07943 139889-56-8 knapsack NA NA +FL5FELNS0003 Apuleisin C18H16O9 376.07943 34211-15-9 knapsack NA NA +FL5FELNS0004 5,7,4',5'-Tetrahydroxy-3,6,2'-trimethoxyflavone C18H16O9 376.07943 113744-07-3 knapsack NA NA +FL5FELNS0005 5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone C18H16O9 376.07943 99816-56-5 knapsack NA NA +FL5FELNS0006 5,7,2',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone C18H16O9 376.07943 99816-55-4 knapsack NA NA +FL5FFGNS0002 Hibiscetin 3,7,4'-trimethyl ether C18H16O9 376.07943 71149-61-6 knapsack NA NA +FL5FFGNS0003 Hibiscetin 3,8,4'-trimethyl ether C18H16O9 376.07943 99816-54-3 knapsack NA NA +FL5FFLNS0005 5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone C18H16O9 376.07943 100363-97-1 knapsack NA NA +FL5FGCNS0004 5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxy-4H-1-benzopyran-4-one C18H16O9 376.07943 61451-85-2 knapsack NA NA +FL5FGCNS0005 5,6,3',4'-Tetrahydroxy-3,7,8-trimethoxyflavone C18H16O9 376.07943 102487-39-8 knapsack NA NA +FL5FGCNS0006 3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone C18H16O9 376.07943 102673-79-0 knapsack NA NA +FL5FGCNS0007 Limocitrol C18H16O9 376.07943 549-10-0 knapsack NA NA +MJ049348 2',3',5,6,6',7,8-Heptahydroxyflavone; 2',6,8-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049349 2',3,3',4',5,6,7-Heptahydroxyflavone; 3,4',7-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049350 2',3,4',5,5',6,7-Heptahydroxyflavone; 2',3,6-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049351 2',3,4',5,5',6,7-Heptahydroxyflavone; 3,4',6-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049352 2',3,4',5,5',6,7-Heptahydroxyflavone; 3,5',6-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049353 2',3,4',5,5',7,8-Heptahydroxyflavone; 3,5',8-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049354 2',4',5,5',6,7,8-Heptahydroxyflavone; 5',6,8-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049355 3',4',5,5',6,7,8-Heptahydroxyflavone; 3',6,8-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049356 3',4',5,5',6,7,8-Heptahydroxyflavone; 4',6,8-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049357 3,3',4',5,5',6,7-Heptahydroxyflavone; 3',4',6-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049358 3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',5'-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049359 3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',6-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049360 3,3',4',5,5',6,7-Heptahydroxyflavone; 3,4',6-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049361 3,3',4',5,5',7,8-Heptahydroxyflavone; 3,4',7-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049362 3,3',4',5,5',7,8-Heptahydroxyflavone; 3,4',8-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049363 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',6,8-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049364 3,3',4',5,6,7,8-Heptahydroxyflavone; 3,6,8-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049365 3,3',4',5,6,7,8-Heptahydroxyflavone; 3,7,8-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049366 3,3',4',5,6,7,8-Heptahydroxyflavone; 6,7,8-Tri-Me ether C18H16O9 376.079432 NA MeJP NA NA +MJ049367 3,3',4',5,6,7-Hexahydroxyflavanone, 6-Me ether, 3-Ac C18H16O9 376.079432 NA MeJP NA NA +MJ049368 3,3',5,5',6,7,8-Heptahydroxyflavanone, 3',8-Di-Me, 6,7-methylene ether C18H16O9 376.079432 NA MeJP NA NA +MJ049369 Alectorialic acid C18H16O9 376.079432 NA MeJP NA NA +MJ049370 Clitoriacetal; 9-O-De-Me C18H16O9 376.079432 NA MeJP NA NA +MJ049371 Decarboxythamnolic acid C18H16O9 376.079432 NA MeJP NA NA +MJ049372 Marticin C18H16O9 376.079432 NA MeJP NA NA +MJ049373 Puertitol B; Ac C17H26BrClO2 376.08047 NA MeJP NA NA +MJ049374 Cisconazole C19H15F3N2OS 376.085718 NA MeJP NA NA +MJ049375 Phosmidosine; N-Deprolyl C11H17N6O7P 376.089633 NA MeJP NA NA +FL4DA9NS0009 Pinobanksin 3-benzoate C22H16O6 376.09468 129693-91-0 knapsack NA NA +FLIFWXNP0001 Dehydromillettone;6a,12a-Didehydromillettone C22H16O6 376.09468 43016-04-2 knapsack NA NA +MJ049376 3,5,7-Trihydroxyflavanone, 3-Benzoyl C22H16O6 376.094688 NA MeJP NA NA +MJ049377 4',5,7-Trihydroxy-8-(4-hydroxybenzyl)flavone C22H16O6 376.094688 NA MeJP NA NA +MJ049378 Bisanhydroaklavinone C22H16O6 376.094688 NA MeJP NA NA +MJ049379 Diospyrin; 2',3'-Dihydro C22H16O6 376.094688 NA MeJP NA NA +MJ049380 Millettone; natural-form, 5a,12b-Didehydro C22H16O6 376.094688 NA MeJP NA NA +MJ049381 Naphthoherniarin C22H16O6 376.094688 NA MeJP NA NA +MJ049382 Natalenone C22H16O6 376.094688 NA MeJP NA NA +MJ049383 Pummeloquinone C22H16O6 376.094688 NA MeJP NA NA +MJ049384 Resistomycin C22H16O6 376.094688 NA MeJP NA NA +C12080 Resistomycin C22H16O6 376.0947 NA KEGG NA NA +MJ049385 Hamaudol, 3-(3-Methylthio-2-propenoyl) C19H20O6S 376.098059 NA MeJP NA NA +MJ049386 Flutazolam C19H18ClFN2O3 376.098998 NA MeJP NA NA +MJ049387 4-Hydroxy-2,5-dimethyl-3(2H)-furanone, 4-O-(6-O-Malonyl-?-D-glucopyranoside) C15H20O11 376.100561 NA MeJP NA NA +MJ049388 18-Bromo-17-octadecene-5,7,15-triynoic acid, Et ester C20H25BrO2 376.103792 NA MeJP NA NA +MJ049389 Altemicidin C13H20N4O7S 376.105269 NA MeJP NA NA +MJ049390 3-Chloro-8-hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Angeloyl C20H21ClO5 376.107751 NA MeJP NA NA +MJ049391 5-Ribofuranosyluridine; ?-D-form C14H20N2O10 376.111794 NA MeJP NA NA +FL2FEGNS0004 5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone C19H20O8 376.11581 310888-08-5 knapsack NA NA +FL2FG8NS0001 5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone C19H20O8 376.11581 158305-76-1 knapsack NA NA +FLICQUNS0007 Abruquinone C;6-Hydroxy-7,8,3',4'-tetramethoxyisoflavanquinone C19H20O8 376.11581 71593-11-8 knapsack NA NA +FLID4GNS0001 2,8-Dihydroxy-3,4,9,10-tetramethoxypterocarpan C19H20O8 376.11581 76474-68-5 knapsack NA NA +MJ049392 1,2,3,4,6,7-Hexahydroxyxanthone; Hexa-Me ether C19H20O8 376.115817 NA MeJP NA NA +MJ049393 1,2,3,4,6,8-Hexahydroxyxanthone; Hexa-Me ether C19H20O8 376.115817 NA MeJP NA NA +MJ049394 1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) C19H20O8 376.115817 NA MeJP NA NA +MJ049395 11-Tridecene-3,5,7,9-tetrayne-1,2,13-triol, 1-O-?-D-Glucopyranoside C19H20O8 376.115817 NA MeJP NA NA +MJ049396 2',5,6,6',7,8-Hexahydroxyflavanone, 2',6,7,8-Tetra-Me ether C19H20O8 376.115817 NA MeJP NA NA +MJ049397 2,3,4,8,9,10-Hexahydroxypterocarpan; 3,4,9,10-Tetra-Me ether C19H20O8 376.115817 NA MeJP NA NA +MJ049398 3',4',5,5',6,7-Hexahydroxyflavanone, 3',4',6,7-Tetra-Me ether C19H20O8 376.115817 NA MeJP NA NA +MJ049399 3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl) C19H20O8 376.115817 NA MeJP NA NA +MJ049400 6-[2-(4-Hydroxyphenyl)ethenyl]-2H-pyran-2-one, 4'-O-?-D-Glucopyranoside C19H20O8 376.115817 NA MeJP NA NA +MJ049401 Abruquinone A, 8-Hydroxy C19H20O8 376.115817 NA MeJP NA NA +MJ049402 Abruquinone A, 8-Methoxy, 6-O-de-Me C19H20O8 376.115817 NA MeJP NA NA +MJ049403 Abruquinone A, 8-Methoxy, 7-O-de-Me C19H20O8 376.115817 NA MeJP NA NA +MJ049404 Arbutin; 6-O-Benzoyl C19H20O8 376.115817 NA MeJP NA NA +MJ049405 Atranorin; 9-Alcohol C19H20O8 376.115817 NA MeJP NA NA +MJ049406 Atranorin; Parent acid, 9-alcohol, 4-Me ether C19H20O8 376.115817 NA MeJP NA NA +MJ049407 Aviprin, 2'-O-(2-Hydroxypropanoyl) C19H20O8 376.115817 NA MeJP NA NA +MJ049408 Bis(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)methane C19H20O8 376.115817 NA MeJP NA NA +MJ049409 Byakangelicin, 2'-Ac C19H20O8 376.115817 NA MeJP NA NA +MJ049410 Clauslactone B C19H20O8 376.115817 NA MeJP NA NA +MJ049411 Heraclenol, 2'-(2-Hydroxypropanoyl) C19H20O8 376.115817 NA MeJP NA NA +MJ049412 Isomycousnine C19H20O8 376.115817 NA MeJP NA NA +MJ049413 Mycousnine C19H20O8 376.115817 NA MeJP NA NA +MJ049414 Placodiolic acid C19H20O8 376.115817 NA MeJP NA NA +PJ000656 NDE C13H20N4O9 376.123 NA PeJP NA NA +PJ000657 GGDE C13H20N4O9 376.1231 NA PeJP NA NA +MJ049415 Lactacystin C15H24N2O7S 376.130421 NA MeJP NA NA +FL2FA9NC0003 5-O-Methylchamanetin C23H20O5 376.13107 100348-95-6 knapsack NA NA +FL2FA9NS0005 Pinocembrin 7-[4-(1-hydroxyethyl)phenyl] ether C23H20O5 376.13107 108544-83-8 knapsack NA NA +MJ049416 14-Hydroxy-5-tetradecene-8,10,12-triynoic acid, 4-Hydroxycinnamoyl(E-) C23H20O5 376.131073 NA MeJP NA NA +MJ049417 14-Hydroxy-5-tetradecene-8,10,12-triynoic acid, 4-Hydroxycinnamoyl(Z-) C23H20O5 376.131073 NA MeJP NA NA +MJ049418 5,7-Dihydroxyflavanone, 7-O-[4-(1-Hydroxyethyl)phenyl] ether C23H20O5 376.131073 NA MeJP NA NA +MJ049419 Chamanetin, 5-Me ether C23H20O5 376.131073 NA MeJP NA NA +MJ049420 Chamanetin, 7-Me ether C23H20O5 376.131073 NA MeJP NA NA +MJ049421 Cudraxanthone A C23H20O5 376.131073 NA MeJP NA NA +MJ049422 Isochamanetin, 7-Me ether C23H20O5 376.131073 NA MeJP NA NA +MJ049423 Thwaitesixanthone C23H20O5 376.131073 NA MeJP NA NA +C01512 Loganate C16H24O10 376.1369 NA KEGG NA NA +C11661 7-Epiloganic acid C16H24O10 376.1369 NA KEGG NA NA +MJ049424 1,3-Di-O-methyl-myo-inositol; Tetra-Ac C16H24O10 376.136946 NA MeJP NA NA +MJ049425 4-Methylantirrhinoside C16H24O10 376.136946 NA MeJP NA NA +MJ049426 5,6-Dihydroxyboschnaloside C16H24O10 376.136946 NA MeJP NA NA +MJ049427 Adoxosidic acid C16H24O10 376.136946 NA MeJP NA NA +MJ049428 Cachineside IV; 5-Deoxy C16H24O10 376.136946 NA MeJP NA NA +MJ049429 Cachineside IV; 7-Deoxy C16H24O10 376.136946 NA MeJP NA NA +MJ049430 Catalpol; O6-Me C16H24O10 376.136946 NA MeJP NA NA +MJ049431 Guaiacylglycerol, 2-O-?-D-Glucopyranoside C16H24O10 376.136946 NA MeJP NA NA +MJ049432 Guaiacylglycerol, 3-O-?-D-Glucopyranoside C16H24O10 376.136946 NA MeJP NA NA +MJ049433 Guaiacylglycerol, 4'-O-?-D-Glucopyranoside C16H24O10 376.136946 NA MeJP NA NA +MJ049434 Guaiacylglycerol, 1-O-?-D-Glucopyranoside C16H24O10 376.136946 NA MeJP NA NA +MJ049435 Guaiacylglycerol, 2-O-?-D-Glucopyranoside C16H24O10 376.136946 NA MeJP NA NA +MJ049436 Loganic acid C16H24O10 376.136946 NA MeJP NA NA +MJ049437 Mussaenosidic acid C16H24O10 376.136946 NA MeJP NA NA +MJ049438 Paeoniflorin; Debenzoyl C16H24O10 376.136946 NA MeJP NA NA +MJ049439 Semperoside; 7?-Hydroxy C16H24O10 376.136946 NA MeJP NA NA +MJ049440 Semperoside; 9?-Hydroxy C16H24O10 376.136946 NA MeJP NA NA +MJ049441 Sweroside; 8,10-Dihydro, 8?-hydroxy C16H24O10 376.136946 NA MeJP NA NA +MJ049442 Tecomoside C16H24O10 376.136946 NA MeJP NA NA +MJ049443 Tuliposide D C16H24O10 376.136946 NA MeJP NA NA +MetaCyc03255 loganate [loganic acid;] C16H24O10 376.136947 22255-40-9 metacyc NA NA +EUR372 Riboflavin F1 HMDB00244_RT6.1_add 376.137475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR372 Riboflavine F1 NA 376.137475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR372 Riboflavin F1 HMDB00244_RT6.1_add 376.137475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR372 Riboflavine F1 NA 376.137475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR372 Riboflavin F1 HMDB00244_RT6.1_add 376.137475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR372 Riboflavine F1 NA 376.137475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR372 Riboflavin F1 HMDB00244_RT6.1_add 376.137475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR372 Riboflavin F1 HMDB00244_RT6.1_add 376.137475 standards wishlist analysés sur QTOF HMDB NA NA +EUR372 Riboflavin F1 HMDB00244_RT6.1_add 376.137475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR372 Riboflavin F1 NA 376.137475 377.144675 Inhouse_sept12 NA NA +EUR372 Riboflavine F1 NA 376.137475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR372 Riboflavin F1 HMDB00244_RT6.1_add 376.137475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR372 Riboflavin F1 HMDB00244_RT6.1_add 376.137475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C07384 Propiomazine hydrochloride C20H24N2OS 376.1376 NA KEGG NA NA +C07385 Transferred to D00482 C20H24N2OS 376.1376 NA KEGG NA NA +C07386 Transferred to D00483 C20H24N2OS 376.1376 NA KEGG NA NA +C07387 Transferred to D00484 C20H24N2OS 376.1376 NA KEGG NA NA +C07388 Transferred to D00485 C20H24N2OS 376.1376 NA KEGG NA NA +C07389 Transferred to D00486 C20H24N2OS 376.1376 NA KEGG NA NA +C07390 Transferred to D00487 C20H24N2OS 376.1376 NA KEGG NA NA +CJpos0781 Riboflavin (Vitamin B2) [M+H]+ C17H21O6N4 376.137775 C18rt(min)=5.78 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0781 Riboflavin (Vitamin B2) [M+H]+ C17H21O6N4 376.137775 C18rt(min)=5.78 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB00244 Riboflavin C17H20N4O6 376.138275 NA HMDB2010 NA NA +HMDB00244 Riboflavin C17H20N4O6 376.13828 http://www.hmdb.ca/metabolites/HMDB00244 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00244 Riboflavin C17H20N4O6 376.13828 http://www.hmdb.ca/metabolites/HMDB00244 HMDB NA NA +HMDB00244 Riboflavin C17H20N4O6 376.13828 http://www.hmdb.ca/metabolites/HMDB00244 PFEM_hmdb_metabocards_blood NA blood +HMDB00244 Riboflavin C17H20N4O6 376.13828 HMDB00244 PFEM_hmdb_metabocards_official NA NA +MJ049444 Lyxoflavin C17H20N4O6 376.138284 NA MeJP NA NA +MJ049445 Riboflavine C17H20N4O6 376.138284 NA MeJP NA NA +MJ049446 Riboflavin C17H20N4O6 376.138284 NA MeJP NA NA +MetaCyc03256 riboflavin [vitamin B2;] C17H20N4O6 376.138284 83-88-5 metacyc NA NA +EUR065 Riboflavin C17H20N4O6 376.1383 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR639 Riboflavin [M+H]+ 376.1383 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR065 Riboflavin C17H20N4O6 376.1383 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR639 Riboflavin [M+H]+ 376.1383 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR065 Riboflavin C17H20N4O6 376.1383 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR639 Riboflavin [M+H]+ 376.1383 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR065 Riboflavin C17H20N4O6 376.1383 Wishlist Inhousejuil11 NA NA +EUR639 Riboflavin [M+H]+ 376.1383 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00255 Riboflavin C17H20N4O6 376.1383 NA KEGG NA NA +PJ000658 GDW C17H20N4O6 376.1383 NA PeJP NA NA +PJ000659 GPTC C14H24N4O6S 376.1417 NA PeJP NA NA +MJ049447 Mesudipine C19H24N2O4S 376.145677 NA MeJP NA NA +C08747 Ailanthone C20H24O7 376.1522 NA KEGG NA NA +C09202 Tripdiolide C20H24O7 376.1522 NA KEGG NA NA +C09434 Euparotin C20H24O7 376.1522 NA KEGG NA NA +C09448 Eupatundin C20H24O7 376.1522 NA KEGG NA NA +MJ049448 1,10-Epoxy-8,15-dihydroxy-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049449 1,10:2,3-Diepoxy-5,8-dihydroxy-4(15),11(13)-germacradien-12,6-olide, 8-Angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049450 1,10:2,3-Diepoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide; 8-(3-Methyl-2-butenoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049451 1,10:2,3-Diepoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide; 8-Angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049452 1,10:2,3-Diepoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049453 1,10:2,3-Diepoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049454 1,10:2,3-Diepoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049455 1,2-Epoxy-8,10-dihydroxy-3-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049456 1,2:3,4-Diepoxy-8,10-dihydroxy-11(13)-guaien-12,6-olide, 8-Tigloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049457 1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 9-Angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049458 1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 10-Tigloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049459 1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 9-Angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049460 1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 10-Tigloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049461 1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 9-Angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049462 1,5,8-Trihydroxy-14-oxo-4(15),9,11(13)-germacratrien-12,6-olide, O1-Me, 8-O-(2-methyl-2-propenoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049463 1,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049464 1,8-Dihydroxy-3,9,11(13)-guaiatrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049465 1-(4-Hydroxy-3-methoxyphenyl)-2-[3-(3-hydroxy-1-propenyl)-5-methoxyphenoxy]-1,3-propanediol C20H24O7 376.152203 NA MeJP NA NA +MJ049466 1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol C20H24O7 376.152203 NA MeJP NA NA +MJ049467 1-[4-[4-(3-Hydroxy-1-propenyl)-2-methoxyphenoxy]-3-methoxyphenyl]-1,2,3-propanetriol C20H24O7 376.152203 NA MeJP NA NA +MJ049468 10,14-Epoxy-2,5,8-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049469 10,14-Epoxy-2,8,9-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Tigloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049470 10,14-Epoxy-8-hydroxy-3,11(13)-guaiadien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2Z-butenoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049471 12,14-Dihydroxy-7-oxo-2,3-seco-8,11,13-abietatrien-2,11-olid-3-oic acid C20H24O7 376.152203 NA MeJP NA NA +MJ049472 15,16-Epoxy-2,6-dihydroxy-3,13(16),14-clerodatriene-18,19:20,12-diolide, 3,4?-Dihydro C20H24O7 376.152203 NA MeJP NA NA +MJ049473 15,16-Epoxy-2-hydroxy-19-nor-6-oxo-13(16),14-clerodadien-17,12-olid-18-oic acid, Me ester C20H24O7 376.152203 NA MeJP NA NA +MJ049474 15,16-Epoxy-3,4-dihydroxy-13(16),14-clerodadien-2,18:17,12-diolide C20H24O7 376.152203 NA MeJP NA NA +MJ049475 15,16-Epoxy-3,4-dihydroxy-13(16),14-clerodadiene-17,12:18,6-diolide C20H24O7 376.152203 NA MeJP NA NA +MJ049476 15,16-Epoxy-4,19-dihydroxy-13(16),14-clerodadiene-19,6:20,12-diolide C20H24O7 376.152203 NA MeJP NA NA +MJ049477 15,16-Epoxy-6,8-dihydroxy-13(16),14-clerodadiene-17,12:18,19-diolide C20H24O7 376.152203 NA MeJP NA NA +MJ049478 15,16:18,19-Diepoxy-2,18-dihydroxy-6-oxo-13(16),14-clerodadien-20,12-olide C20H24O7 376.152203 NA MeJP NA NA +MJ049479 16-(1-Methyl-1-propenyl)eremantholanolide, 15-Hydroxy C20H24O7 376.152203 NA MeJP NA NA +MJ049480 2',3',4',5',7,8-Hexahydroxyflavan, 3',4',5',7,8-Penta-Me ether C20H24O7 376.152203 NA MeJP NA NA +MJ049481 2',3',4',5',7,8-Hexahydroxyisoflavan, 2',3',4',5',8-Penta-Me ether C20H24O7 376.152203 NA MeJP NA NA +MJ049482 2,14:4,5-Diepoxy-8,14-dihydroxy-1(10),11(13)-germacradien-12,6-olide, O14-Me, 8-(2-methylpropenoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049483 2,15-Dihydroxy-4,9,11(13)-germacratriene-12,6:14,8-diolide, 2-(2-Methylbutanoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049484 2,15:4,5-Diepoxy-8,15-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 15-Me ether, 8-(2-methylpropenoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049485 2,8,9-Trihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-[2-(Hydroxymethyl)-2-butenoyl](E-) C20H24O7 376.152203 NA MeJP NA NA +MJ049486 3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 1-Ketone, 8-angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049487 3,10-Epoxy-3,8,15-trihydroxy-1,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049488 3,10-Epoxy-3,8-dihydroxy-1,4,11(13)-germacratrien-12,6-olide, 8-(2R,3R-Epoxy-2-methylbutanoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049489 3,10-Epoxy-5,8-dihydroxy-1-oxo-2,4(15),11(13)-germacratrien-12,6-olide, 8-O-(3-Methylbutanoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049490 3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049491 3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(3-Methylbutanoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049492 3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(3-Methylbutanoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049493 3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 11?,13-Epoxide, 8-(2-methylbutanoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049494 3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether C20H24O7 376.152203 NA MeJP NA NA +MJ049495 3,3',4,4',7,7'-Hexahydroxy-9,9'-epoxylignan, 3,3'-Di-Me ether C20H24O7 376.152203 NA MeJP NA NA +MJ049496 3,3',4,4',7,8-Hexahydroxyflavan, 3',4,4',7,8-Penta-Me ether C20H24O7 376.152203 NA MeJP NA NA +MJ049497 3,3',4,4',7,8-Hexahydroxyflavan, 3,3',4',7,8-Penta-Me ether C20H24O7 376.152203 NA MeJP NA NA +MJ049498 3,3',4,4',8,9-Hexahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether C20H24O7 376.152203 NA MeJP NA NA +MJ049499 3,3',4,4',9,9'-Hexahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether C20H24O7 376.152203 NA MeJP NA NA +MJ049500 3,4-Epoxy-2,5,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-Angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049501 3,4-Epoxy-2,8,9-trihydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-Angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049502 3,4-Epoxy-5,8,9-trihydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-(3-Methyl-2-butenyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049503 3,4:10,14-Diepoxy-2,8-dihydroxy-11(13)-guaien-12,6-olide, 8-Tigloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049504 3,8,10-Trihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 8-Tigloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049505 4,10:15,16-Diepoxy-6,18,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone C20H24O7 376.152203 NA MeJP NA NA +MJ049506 4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone C20H24O7 376.152203 NA MeJP NA NA +MJ049507 4,8,9-Trihydroxy-14-oxo-11(13)-guaiaen-12,6-olide, 10-Carboxylic acid, 10?4 lactone, 8-angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049508 5,10-Epoxy-8,15-dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049509 5,8,9-Trihydroxy-14-oxo-1(10),4(15),11(13)-germacratrien-12,6-olide, 9-Me ether, 8-O-(2-methyl-2-propenoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049510 5-Hydroxy-2,2,8-trimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one; 2',3'-Dihydro, 1',2',3'-trihydroxy C20H24O7 376.152203 NA MeJP NA NA +MJ049511 6,12,19-Trihydroxy-11,14-dioxo-8,12-abietadien-20,7-olide C20H24O7 376.152203 NA MeJP NA NA +MJ049512 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1S,2-Epoxide, 6-angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049513 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1S,2-Epoxide, 9-angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049514 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1R,2-Epoxide, 6-angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049515 7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 1'-Angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049516 7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 1'-Tigloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049517 7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 2'-Angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049518 7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 2'-Tigloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049519 8,10,15-Trihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049520 8,12:15,16-Diepoxy-2-hydroxy-19-nor-13(16),14-clerodadien-17,6-olid-18-oic acid, Me ester C20H24O7 376.152203 NA MeJP NA NA +MJ049521 8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, 15-aldehyde, 8-(3,4-dihydroxy-2-methylenebutanoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049522 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049523 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Me ether, 8-(2-methylpropenoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049524 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-Angeloyl C20H24O7 376.152203 NA MeJP NA NA +MJ049525 9-Hydroxy-3,11(13)-elemadiene-12,8;15,6-diolide, 1S,2-Epoxide, 9-(2-methylbutanoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049526 9-Hydroxy-3,11(13)-elemadiene-12,8;15,6-diolide, 1S,2-Epoxide, 9-(3-methylbutanoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049527 Arnottinin; ?3',5'-Isomer, 1',2'-dihydroxy, 7-Me ether, 4'-O-(3-methylbutanoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049528 Bipinnatolide I; 4,18-Didehydro, 11?,12?-epoxide C20H24O7 376.152203 NA MeJP NA NA +MJ049529 Bipinnatolide I; 4,5-Didehydro, 11?,12?-epoxide C20H24O7 376.152203 NA MeJP NA NA +MJ049530 Carissanol C20H24O7 376.152203 NA MeJP NA NA +MJ049531 Casegravol; 1',2'-Epoxide, 4'-O-(3-methylbutanoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049532 Chaparrin; 13,18-Didehydro, 2-ketone C20H24O7 376.152203 NA MeJP NA NA +MJ049533 Cneorumchromene E C20H24O7 376.152203 NA MeJP NA NA +MJ049534 Cycloolivil C20H24O7 376.152203 NA MeJP NA NA +MJ049535 Daldinal C C20H24O7 376.152203 NA MeJP NA NA +MJ049536 Eufoliatorin C20H24O7 376.152203 NA MeJP NA NA +MJ049537 Grandmarin, 3'-O-(3-Methylbutanoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049538 Jamesoniellide G C20H24O7 376.152203 NA MeJP NA NA +MJ049539 Murrangatin, 5'-Hydroxy, 5'-O-(3-methylbutanoyl) C20H24O7 376.152203 NA MeJP NA NA +MJ049540 Nagilactone I C20H24O7 376.152203 NA MeJP NA NA +MJ049541 Neoolivil C20H24O7 376.152203 NA MeJP NA NA +MJ049542 Norauricepyrone C20H24O7 376.152203 NA MeJP NA NA +MJ049543 Olivil C20H24O7 376.152203 NA MeJP NA NA +MJ049544 Phloraspyrone C20H24O7 376.152203 NA MeJP NA NA +MJ049545 Salignone K; 7-Deoxy C20H24O7 376.152203 NA MeJP NA NA +MJ049546 Shinjudilactone C20H24O7 376.152203 NA MeJP NA NA +MJ049547 Triptolide; 16-Hydroxy C20H24O7 376.152203 NA MeJP NA NA +MJ049548 Triptolide; 2?-Hydroxy C20H24O7 376.152203 NA MeJP NA NA +MJ049549 Triptolidenol C20H24O7 376.152203 NA MeJP NA NA +MJ049550 Zinaflorin IV C20H24O7 376.152203 NA MeJP NA NA +MJ049551 ?-Intermedianol; 7,9'-Di-O-de-Me C20H24O7 376.152203 NA MeJP NA NA +MJ049552 Picotamide C21H20N4O3 376.15354 NA MeJP NA NA +MJ049553 N-[4-[1-Hydroxy-2-[4-(4-pyridinyl)-1-piperazinyl]ethyl]phenyl]methanesulfonamide C18H24N4O3S 376.156911 NA MeJP NA NA +MJ049554 10,10-Bis(4-pyridinylmethyl)-9(10H)-anthracenone C26H20N2O 376.157563 NA MeJP NA NA +C13779 XE991 C26H20N2O 376.1576 NA KEGG NA NA +PJ000660 TQE C14H24N4O8 376.1594 NA PeJP NA NA +MJ049555 Fusarochromanone; N3',O4'-Di-Ac C19H24N2O6 376.163436 NA MeJP NA NA +MJ049556 Artocarpol D C24H24O4 376.167459 NA MeJP NA NA +MJ049557 Decarboxycalophyllic acid C24H24O4 376.167459 NA MeJP NA NA +MJ049558 Kanzonol V C24H24O4 376.167459 NA MeJP NA NA +PJ000661 SDR C13H24N6O7 376.1707 NA PeJP NA NA +MJ049559 2-O-Acetyl-6-O-(2-methylbutanoyl)-1-O-(2-methylpropanoyl)-?-D-glucopyranose C17H28O9 376.173332 NA MeJP NA NA +MJ049560 Ajureptoside C17H28O9 376.173332 NA MeJP NA NA +PJ000662 ATW C18H24N4O5 376.1747 NA PeJP NA NA +PJ000663 VQM C15H28N4O5S 376.1781 NA PeJP NA NA +MJ049561 Leuconotis Alkaloid 376 C23H24N2O3 376.178692 NA MeJP NA NA +MJ049562 Clomegestone C22H29ClO3 376.180522 NA MeJP NA NA +MJ049563 Spongiaquinone; 1'-Deoxy, 11-chloro, 9(11)E-isomer C22H29ClO3 376.180522 NA MeJP NA NA +MetaCyc03257 4-[N-γ-L-glutamyl-)-p-(β-aminoethyl)phenoxy-methyl]-2-(aminomethyl)furan [] C19H26N3O5 376.187246 NA metacyc NA NA +MJ049564 1,10-Epoxyfuranoeremophilane-3,6-diol, 6-(2-Methylpropanoyl), 3-Ac C21H28O6 376.188588 NA MeJP NA NA +MJ049565 1-(3,4-Dihydroxyphenyl)-1-propanol, 3',4'-Di-Me ether, 1-O-[2-(2-methyl-2-butenoyloxymethyl)-2-butenoyl] (Z,Z-) C21H28O6 376.188588 NA MeJP NA NA +MJ049566 11,12,14,15-Tetrahydroxy-7-oxo-8,11,13-abietatrien-20-al; 12-Me ether C21H28O6 376.188588 NA MeJP NA NA +MJ049567 11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; 20-Hydroxy, 12-Me ether C21H28O6 376.188588 NA MeJP NA NA +MJ049568 11,17,21-Trihydroxy-3,20-dioxopregn-4-en-18-al C21H28O6 376.188588 NA MeJP NA NA +MJ049569 11,20-Epoxy-7,11,14-trihydroxy-15-oxo-16-kauren-18-al, 11-Me ether C21H28O6 376.188588 NA MeJP NA NA +MJ049570 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone, 2-Me ether, 6-angeloyl C21H28O6 376.188588 NA MeJP NA NA +MJ049571 3,3',4,4',5,5'-Hexahydroxylignan, 3,3',5-Tri-Me ether C21H28O6 376.188588 NA MeJP NA NA +MJ049572 3,4-Seco-4(18),13-halimadiene-16,15:20,5-diolid-3-oic acid, Me ester C21H28O6 376.188588 NA MeJP NA NA +MJ049573 3,6,8-Trihydroxy-1(10),7(11)-eremophiladien-12,8-olide, 8-Me ether, 6-angeloyl C21H28O6 376.188588 NA MeJP NA NA +MJ049574 3,6:15,16-Diepoxy-4-hydroxy-6-methoxy-13(16),14-clerodadien-20,12-olide C21H28O6 376.188588 NA MeJP NA NA +MJ049575 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl), 3-Ac C21H28O6 376.188588 NA MeJP NA NA +MJ049576 6,17,21-Trihydroxypregn-4-ene-3,11,20-trione C21H28O6 376.188588 NA MeJP NA NA +MJ049577 6,7,11,12,16-Pentahydroxy-8,11,13-abietatrien-20-oic acid, 20?6 Lactone, 7-Me ether C21H28O6 376.188588 NA MeJP NA NA +MJ049578 6,7,12-Trihydroxy-8,12-abietadiene-11,14-dione, 6-Formyl C21H28O6 376.188588 NA MeJP NA NA +MJ049579 6,7,12-Trihydroxy-8,12-abietadiene-11,14-dione, 7-Formyl C21H28O6 376.188588 NA MeJP NA NA +MJ049580 7,20-Epoxy-6,7,17-trihydroxy-2-kaurene-1,15-dione, 17-Me ether C21H28O6 376.188588 NA MeJP NA NA +MJ049581 8,12-Dihydroxy-4-isocedren-15,14-olide; 8-O-(2-Methylpropanoyl), 12-Ac C21H28O6 376.188588 NA MeJP NA NA +MJ049582 9,10-Epoxy-p-mentha-1,3,5-triene-2,5,8-triol; 2-Me ether, 5-tigloyl, 8-(3-methylbutanoyl) C21H28O6 376.188588 NA MeJP NA NA +MJ049583 Amphidinolide O C21H28O6 376.188588 NA MeJP NA NA +MJ049584 Antibiotic WF 14919A C21H28O6 376.188588 NA MeJP NA NA +MJ049585 Canellin A C21H28O6 376.188588 NA MeJP NA NA +MJ049586 Coleon Q; 12-De-Ac, 7-formyl C21H28O6 376.188588 NA MeJP NA NA +MJ049587 Cuneifolin C21H28O6 376.188588 NA MeJP NA NA +MJ049588 Glaucogenin A C21H28O6 376.188588 NA MeJP NA NA +MJ049589 Glaucogenin C; 7?-Hydroxy C21H28O6 376.188588 NA MeJP NA NA +MJ049590 Hyperireflexolide A C21H28O6 376.188588 NA MeJP NA NA +MJ049591 Jamesoniellide A C21H28O6 376.188588 NA MeJP NA NA +MJ049592 Jamesoniellide J C21H28O6 376.188588 NA MeJP NA NA +MJ049593 Javanicin B C21H28O6 376.188588 NA MeJP NA NA +MJ049594 Javanicin L; 14,15-Didehydro, 16-ketone C21H28O6 376.188588 NA MeJP NA NA +MJ049595 Lanugone F; 7-O-Formyl C21H28O6 376.188588 NA MeJP NA NA +MJ049596 Morinin A; 5'-(3-Methylbutanoyloxy), 3-methoxy C21H28O6 376.188588 NA MeJP NA NA +MJ049597 Nigakilactone A; 11-Ketone C21H28O6 376.188588 NA MeJP NA NA +MJ049598 Nigakilactone A; 12-Epimer, 13,18-didehydro C21H28O6 376.188588 NA MeJP NA NA +MJ049599 Nodosin; 6,11-Diepimer, O6-Me C21H28O6 376.188588 NA MeJP NA NA +MJ049600 Nodosin; O6-Me C21H28O6 376.188588 NA MeJP NA NA +MJ049601 Oxisopred C21H28O6 376.188588 NA MeJP NA NA +MJ049602 Picrasin B C21H28O6 376.188588 NA MeJP NA NA +MJ049603 Promalabaricone B; 3'-Hydroxy C21H28O6 376.188588 NA MeJP NA NA +MJ049604 Rhipocephalin C21H28O6 376.188588 NA MeJP NA NA +MJ049605 Rosmanol; 14-Hydroxy, 7-Me ether C21H28O6 376.188588 NA MeJP NA NA +MJ049606 Shikodonin; 6-Me ether C21H28O6 376.188588 NA MeJP NA NA +HMDB00332 18-Oxocortisol C21H28O6 376.188599 NA HMDB2010 NA NA +HMDB00332 18-Oxocortisol C21H28O6 376.1886 http://www.hmdb.ca/metabolites/HMDB00332 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00332 18-Oxocortisol C21H28O6 376.1886 http://www.hmdb.ca/metabolites/HMDB00332 HMDB NA NA +C09714 Rhipocephalin C21H28O6 376.1886 NA KEGG NA NA +C17050 Picrasin B C21H28O6 376.1886 NA KEGG NA NA +HMDB00332 18-Oxocortisol C21H28O6 376.1886 http://www.hmdb.ca/metabolites/HMDB00332 PFEM_hmdb_metabocards_blood NA blood +HMDB00332 18-Oxocortisol C21H28O6 376.1886 HMDB00332 PFEM_hmdb_metabocards_official NA NA +PJ000664 AMR C14H28N6O4S 376.1893 NA PeJP NA NA +MJ049607 Mirfentanil C22H24N4O2 376.189926 NA MeJP NA NA +MJ049608 N-[2-(Dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-6H-pyrido[4,3-b]carbazole-1-carboxamide C22H24N4O2 376.189926 NA MeJP NA NA +MJ049609 Etisulergine C19H28N4O2S 376.193296 NA MeJP NA NA +PJ000665 TKE C15H28N4O7 376.1958 NA PeJP NA NA +3304 NA LLPHHH 376.197 MH2+ Inhouse_peptide NA peptide +C06977 Enalapril C20H28N2O5 376.1998 NA KEGG NA NA +C08021 Remifentanil C20H28N2O5 376.1998 NA KEGG NA NA +MJ049610 Enalaprilat; Et ester C20H28N2O5 376.199822 NA MeJP NA NA +MJ049611 Remifentanil C20H28N2O5 376.199822 NA MeJP NA NA +FL1C19NI0004 Spinochalcone A C25H28O3 376.20384 52601-08-8 knapsack NA NA +FL2F19NI0002 Ovaliflavanone A C25H28O3 376.20384 59920-27-3 knapsack NA NA +MJ049612 2',4'-Dihydroxy-3',5'-diprenylchalcone C25H28O3 376.203844 NA MeJP NA NA +MJ049613 7-Hydroxy-6,8-diprenylflavanone C25H28O3 376.203844 NA MeJP NA NA +MJ049614 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 3-Benzoyl C25H28O3 376.203844 NA MeJP NA NA +MJ049615 Etofenprox C25H28O3 376.203844 NA MeJP NA NA +MJ049616 Desoximetasone C22H29FO4 376.204987 NA MeJP NA NA +MJ049617 Doxibetasol C22H29FO4 376.204987 NA MeJP NA NA +MJ049618 Fluocortolone C22H29FO4 376.204987 NA MeJP NA NA +MJ049619 Fluorometholone C22H29FO4 376.204987 NA MeJP NA NA +C15329 21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20- C22H29FO4 376.205 NA KEGG NA NA +PJ000666 TTR C14H28N6O6 376.207 NA PeJP NA NA +C14973 17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate C22H32O3S 376.2072 NA KEGG NA NA +PJ000667 VKM C16H32N4O4S 376.2144 NA PeJP NA NA +MJ049620 N-[2-(6,7-Dihydro-11-methoxy-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]butanamide C24H28N2O2 376.215078 NA MeJP NA NA +MJ049621 Fenaperone C21H29FN2O3 376.216221 NA MeJP NA NA +MJ049622 Lincomycin; 1-De(methylthio), 1-hydroxy C17H32N2O7 376.220951 NA MeJP NA NA +MJ049623 1,3-Dihydroxy-8,17-sacculatadien-11,12-olide, 3-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049624 1,7,14-Trihydroxy-16-kauren-15-one, 14-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049625 1,7,14-Trihydroxy-16-kauren-15-one, 7-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049626 1,8-Dihydroxy-11-eremophilen-9-one, 8-Angeloyl, 1-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049627 1,8-Dihydroxy-11-eremophilen-9-one, 8-Tigloyl, 1-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049628 10(20),15-Grayanotoxadiene-3,5,6,14-tetrol, 14-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049629 10(20),15-Grayanotoxadiene-3,5,6,14-tetrol, ?16-Isomer,14-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049630 11,13,19-Trihydroxy-16-kauren-15-one, 11-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049631 11,14-Dihydroxy-12-spongien-16-one, 11-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049632 11,15-Dihydroxy-16-kauren-19-oic acid, 15-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049633 11,15-Dihydroxy-9-oxo-5,13-prostadienoic acid, 1,15-Lactone, 11-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049634 11,16-Epoxy-1,3-dihydroxy-6-kauranone, 3-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049635 11-Hydroxy-15-nor-14-oxo-12-isocopalen-16-oic acid; 11?-form, Ac, Me ester C22H32O5 376.224974 NA MeJP NA NA +MJ049636 12,20-Epoxy-11,13-dihydroxy-3,14-clerodadien-2-one, 11-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049637 15,16-Dihydroxy-3-erythroxylene-2,7-dione, 16-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049638 15,16-Epoxy-12-cleistathen-11-one, 17-Acetoxy, 14?-hydroxy C22H32O5 376.224974 NA MeJP NA NA +MJ049639 15,16-Epoxy-3,9-dihydroxy-13(16),14-labdadien-7-one; 3-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049640 15,16-Epoxy-8,9-dihydroxy-13(16),14-labdadien-7-one, 8-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049641 15,16-Epoxy-9(11)-isoparguerene-2,4,7-triol, 2-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049642 15,16-Epoxy-9(11)-parguerene-2,7,19-triol, 2-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049643 15,17-Epoxy-17-hydroxy-16-spongianone; 17?-form, Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049644 16-Hydroxy-17-oxo-6,13-labdadien-15-oic acid, 16-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049645 16-Hydroxy-6-oxo-7,13-labdadien-15-oic acid, 16-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049646 16-Hydroxy-8(17),13-labdadien-15,16-olid-18-oic acid, 16-Ketone-15?-alcohol (lactol), Me ether, Me ester C22H32O5 376.224974 NA MeJP NA NA +MJ049647 16-Kaurene-3,11,13,15-tetrol, 15-Ketone, 11-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049648 18-Hydroxy-3-oxo-8(17),13-labdadien-15-oic acid, 18-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049649 19-Hydroxy-3-oxo-17-kauranoic acid, 19-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049650 2,16-Dihydroxy-8(17),13-labdadien-15-oic acid, 2-Ketone, 16-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049651 2,5-Dihydroxy-10-oxo-4,10-seco-13(15),17-spatadien-12-al, 2-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049652 2,5-Dihydroxy-10-oxo-4,10-seco-13(15),17-spatadien-12-al, 5-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049653 2,7-Dihydroxy-3,13-clerodadien-15-oic acid, 2-Ketone, 7-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049654 2,9,20-Trihydroxy-4,11-taxadien-13-one, 9-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049655 2,9:3,16-Diepoxy-7(19)-asbestinene-4,11-diol, 4-Ketone, 11-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049656 3,19-Dihydroxy-7-labden-15-oic acid, 13E,14-Didehydro, 19-aldehyde, 3-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049657 3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-Angeloyl, 4-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049658 3,4-Dihydroxy-7,11,15(17)-cembratrien-16,14-olide; 3-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049659 3,4-Epoxy-11-hydroxy-7,15(17)-cembradien-16,12-olide, Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049660 3,4-Epoxy-13-hydroxy-7,15(17)-cembradien-16,14-olide, Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049661 3,4-Epoxy-6-hydroxy-12,14-clerodadien-20-oic acid, Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049662 3,7,11-Trihydroxy-16-kauren-15-one, 3-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049663 3,7,14-Trihydroxy-16-kauren-15-one, 3-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049664 4(15)-Germacrene-6,8,10-triol; 8-(4-Hydroxybenzoyl) C22H32O5 376.224974 NA MeJP NA NA +MJ049665 4(3?2)-Abeo-7-hydroxy-3-oxo-2(4),13-clerodadien-15-oic acid, Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049666 4,10(14)-Oplopadiene-3,8,9-triol, 3-Ac, 8-angeloyl C22H32O5 376.224974 NA MeJP NA NA +MJ049667 4,10(14)-Oplopadiene-3,8,9-triol, 3-Ac, 9-angeloyl C22H32O5 376.224974 NA MeJP NA NA +MJ049668 4,13-Dihydroxy-1,14-crenuladien-19,18-olide, 4-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049669 4,14-Dihydroxy-1,12-crenuladien-19,18-olide, 4-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049670 4,14-Dihydroxy-7,11,15(17)-cembratrien-16,3-olide, 14-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049671 4,17-Dihydroxy-1(9),6,13-xenicatriene-18,19-dial, 17-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049672 4,18-Epoxy-6-hydroxy-13-cleroden-15,16-olide, Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049673 4,7:14,16-Diepoxy-1(14),11,15-cembratriene-2,3-diol, 2-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049674 4,9-Dihydroxy-10(14)-oplopen-3-one, 9-(3-Methyl-2E-butenoyl), 4-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049675 4,9-Dihydroxy-10(14)-oplopen-3-one, 9-Angeloyl, 4-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049676 4-Hydroxy-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzoic acid; 10',11'-Dihydroxy, 10',11'-dihydro C22H32O5 376.224974 NA MeJP NA NA +MJ049677 4-Hydroxy-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzoic acid; 6',7'-Dihydroxy, 6',7'-dihydro C22H32O5 376.224974 NA MeJP NA NA +MJ049678 4-Hydroxycrenulide; 17-Acetoxy C22H32O5 376.224974 NA MeJP NA NA +MJ049679 4-Hydroxycrenulide; 18?-Hydroxy, 4-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049680 6,17-Dihydroxy-14,15-dinor-7,11-labdadien-13-one, Di-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049681 6-Hydroxy-3,13-clerodadien-15,16-olide, 3?,4?-Epoxide, 6-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049682 7,20-Epoxy-1,14,20-trihydroxy-16-kauren-15-one, 20-Et (20S-) C22H32O5 376.224974 NA MeJP NA NA +MJ049683 7,20-Epoxy-16-kaurene-6,7,15-triol, 6-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049684 8,10-Dihydroxy-5-longipinanone, 10-Angeloyl, 8-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049685 8,11-Dihydroxy-4-guaien-3-one, 8-Angeloyl, 11-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049686 8,12-Epoxy-16-hydroxy-14-oxo-12-labden-15-al, Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049687 9,11,15-Trihydroxyprosta-5,13,17-trienoic acid, 1,15-Lactone, 11-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049688 9,11-Epoxy-1,6-dihydroxy-16-kauren-15-one, 16?,17-Dihydro, 1-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049689 9,13:15,16-Diepoxy-6-hydroxy-14-labden-7-one, Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049690 9,13:15,16-Diepoxy-8-hydroxy-14-labden-7-one, 8-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049691 9,15-Dihydroxy-16-kauren-19-oic acid, 9-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049692 Aplyviolene C22H32O5 376.224974 NA MeJP NA NA +MJ049693 Cadlinolide B; ?7,8-Isomer, Ac (16?-) C22H32O5 376.224974 NA MeJP NA NA +MJ049694 Cadlinolide B; ?8,14-Isomer, Ac (16?-) C22H32O5 376.224974 NA MeJP NA NA +MJ049695 Cadlinolide B; Ac (16?-) C22H32O5 376.224974 NA MeJP NA NA +MJ049696 Chelonaplysin C C22H32O5 376.224974 NA MeJP NA NA +MJ049697 Cheloviolin C22H32O5 376.224974 NA MeJP NA NA +MJ049698 Coetsoidin C; O-De-Me, O20-Et C22H32O5 376.224974 NA MeJP NA NA +MJ049699 Dendrillolide A C22H32O5 376.224974 NA MeJP NA NA +MJ049700 Dendrillolide E C22H32O5 376.224974 NA MeJP NA NA +MJ049701 Furanoeremophilane-3,6-diol, 6-(2-Methylbutanoyl), 3-Ac C22H32O5 376.224974 NA MeJP NA NA +MJ049702 Furodivaricatic acid C22H32O5 376.224974 NA MeJP NA NA +MJ049703 Haliangicin C22H32O5 376.224974 NA MeJP NA NA +MJ049704 Hyatoquinone C22H32O5 376.224974 NA MeJP NA NA +MJ049705 Hypoestoxide C22H32O5 376.224974 NA MeJP NA NA +MJ049706 Ichthyouleolide; 19-Acetoxy C22H32O5 376.224974 NA MeJP NA NA +MJ049707 Jerangolide A C22H32O5 376.224974 NA MeJP NA NA +MJ049708 Macfarlandin C C22H32O5 376.224974 NA MeJP NA NA +MJ049709 Macfarlandin D C22H32O5 376.224974 NA MeJP NA NA +MJ049710 Macrophorin A; 3?-Hydroxy C22H32O5 376.224974 NA MeJP NA NA +MJ049711 Myricoidiol C22H32O5 376.224974 NA MeJP NA NA +MJ049712 Norrisolide C22H32O5 376.224974 NA MeJP NA NA +MJ049713 Polyrhaphin C C22H32O5 376.224974 NA MeJP NA NA +MJ049714 Precalyone C22H32O5 376.224974 NA MeJP NA NA +MJ049715 Prehumulone C22H32O5 376.224974 NA MeJP NA NA +MJ049716 Sarcodontic acid C22H32O5 376.224974 NA MeJP NA NA +MJ049717 Shahamin F C22H32O5 376.224974 NA MeJP NA NA +HMDB02294 Resolvin D2 C22H32O5 376.224976 NA HMDB2010 NA NA +HMDB03733 Resolvin D1 C22H32O5 376.224976 NA HMDB2010 NA NA +HMDB11652 11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid C22H32O5 376.224976 NA HMDB2010 NA NA +HMDB02294 Resolvin D2 C22H32O5 376.22498 http://www.hmdb.ca/metabolites/HMDB02294 HMDB NA NA +HMDB03733 Resolvin D1 C22H32O5 376.22498 http://www.hmdb.ca/metabolites/HMDB03733 HMDB NA NA +HMDB02294 Resolvin D2 C22H32O5 376.22498 HMDB02294 PFEM_hmdb_metabocards_official NA NA +HMDB03733 Resolvin D1 C22H32O5 376.22498 HMDB03733 PFEM_hmdb_metabocards_official NA NA +C18178 Resolvin D1 C22H32O5 376.225 NA KEGG NA NA +C18179 Resolvin D2 C22H32O5 376.225 NA KEGG NA NA +MJ049718 Erocainide C22H33ClN2O 376.228141 NA MeJP NA NA +MJ049719 7-Megastigmene-3,9-diol, 7,8-Dihydro, 3-O-?-D-glucopyranoside C19H36O7 376.246103 NA MeJP NA NA +MJ049720 3-[1-(Phenylmethyl)-4-piperidinyl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)-1-propanone C25H32N2O 376.251463 NA MeJP NA NA +HMDB11550 MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C23H36O4 376.261353 NA HMDB2010 NA NA +HMDB11580 MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0) C23H36O4 376.261353 NA HMDB2010 NA NA +MJ049721 13-Thyrsifloranol; 13?-form, Malonyl C23H36O4 376.261359 NA MeJP NA NA +MJ049722 15-Hydroxy-1(10),13-halimadien-18-oic acid, Propanoyl C23H36O4 376.261359 NA MeJP NA NA +MJ049723 3-Heptadecyl-2,5-dihydroxybenzoquinone; 8',9'Z-Didehydro C23H36O4 376.261359 NA MeJP NA NA +MJ049724 5-Pentadecyl-1,3-benzenediol; 10'-Acetoxy, 8',9'-didehydro C23H36O4 376.261359 NA MeJP NA NA +MJ049725 7,13-Labdadien-15-ol, Hydrogen malonoyl ester C23H36O4 376.261359 NA MeJP NA NA +MJ049726 Buxapapillosin C23H36O4 376.261359 NA MeJP NA NA +MJ049727 Epiplakinic acid E; Me ester C23H36O4 376.261359 NA MeJP NA NA +MJ049728 Gingerdiones; [12]Gingerdione C23H36O4 376.261359 NA MeJP NA NA +MJ049729 Plakoric acid C23H36O4 376.261359 NA MeJP NA NA +C15157 3-Acetyl-5alpha-androstane-3beta,17beta-diol 3-acetate C23H36O4 376.2614 NA KEGG NA NA +C15346 5alpha-Androstane-3beta,17beta-diol diacetate C23H36O4 376.2614 NA KEGG NA NA +MJ049730 Fenetradil C22H36N2O3 376.272593 NA MeJP NA NA +MJ049731 Kalihinene; 10,15-Bis-formamide C22H36N2O3 376.272593 NA MeJP NA NA +MetaCyc03258 phytyl monophosphate [phytolmonophosphate;] C20H41O4P1 376.274246 NA metacyc NA NA +MJ049732 10'-Apo-?-caroten-10'-ol; 10'-Aldehyde C27H36O 376.276615 NA MeJP NA NA +MJ049733 Lauroguadine C20H36N6O 376.295059 NA MeJP NA NA +C03990 3alpha-Hydroxy-5beta-cholanate C24H40O3 376.2977 NA KEGG NA NA +C17658 Isolithocholate C24H40O3 376.2977 NA KEGG NA NA +MJ049734 3alpha-Hydroxy-5beta-cholanate C24H40O3 376.297745 NA MeJP NA NA +MJ049735 1-(4-Hydroxyphenyl)-5-octadecanone; 3'-Hydroxy C24H40O3 376.297745 NA MeJP NA NA +MJ049736 2-(4-Hydroxyphenyl)ethanol; 1-O-Hexadecanoyl C24H40O3 376.297745 NA MeJP NA NA +MJ049737 2-Heptadecyl-6-hydroxybenzoic acid C24H40O3 376.297745 NA MeJP NA NA +MJ049738 20,21,22,23,24,25,26,27-Octanordammarane-3,17-diol, 3-Ac C24H40O3 376.297745 NA MeJP NA NA +MJ049739 20-Hydroxy-4,8,13,17-tetramethyl-4,8,12,16-eicosatetraenoic acid C24H40O3 376.297745 NA MeJP NA NA +MJ049740 3-Heptadecyl-2,5-dihydroxybenzoquinone; 2-Deoxy, 5-Me ether C24H40O3 376.297745 NA MeJP NA NA +MJ049741 3-Hydroxy-2-(1-oxo-9-octadecenyl)-2-cyclohexen-1-one C24H40O3 376.297745 NA MeJP NA NA +MJ049742 3-Hydroxycholan-24-oic acid C24H40O3 376.297745 NA MeJP NA NA +MJ049743 5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol C24H40O3 376.297745 NA MeJP NA NA +MJ049744 7,14-Labdadiene-6,13-diol, 6-Butanoyl C24H40O3 376.297745 NA MeJP NA NA +MJ049745 Capiquinones; Capiquinone A C24H40O3 376.297745 NA MeJP NA NA +MJ049746 Conulosin A C24H40O3 376.297745 NA MeJP NA NA +MJ049747 Conulosin B C24H40O3 376.297745 NA MeJP NA NA +MJ049748 Pinane thromboxane A2 C24H40O3 376.297745 NA MeJP NA NA +MetaCyc03259 3-α-hydroxy-5-β-cholanate [] C24H40O3 376.297745 434-13-9 metacyc NA NA +HMDB00761 Lithocholic acid C24H40O3 376.29776 http://www.hmdb.ca/metabolites/HMDB00761 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00381 Allolithocholic acid C24H40O3 376.29776 http://www.hmdb.ca/metabolites/HMDB00381 HMDB NA NA +HMDB00713 Isoallolithocholic acid C24H40O3 376.29776 http://www.hmdb.ca/metabolites/HMDB00713 HMDB NA NA +HMDB00717 Isolithocholic acid C24H40O3 376.29776 http://www.hmdb.ca/metabolites/HMDB00717 HMDB NA NA +HMDB00761 Lithocholic acid C24H40O3 376.29776 http://www.hmdb.ca/metabolites/HMDB00761 HMDB NA NA +HMDB02431 12b-Hydroxy-5b-cholanoic acid C24H40O3 376.29776 http://www.hmdb.ca/metabolites/HMDB02431 HMDB NA NA +HMDB02492 7a-hydroxy-5b-cholanic acid C24H40O3 376.29776 http://www.hmdb.ca/metabolites/HMDB02492 HMDB NA NA +HMDB00761 Lithocholic acid C24H40O3 376.29776 http://www.hmdb.ca/metabolites/HMDB00761 PFEM_hmdb_metabocards_blood NA blood +HMDB00381 Allolithocholic acid C24H40O3 376.29776 HMDB00381 PFEM_hmdb_metabocards_official NA NA +HMDB00713 Isoallolithocholic acid C24H40O3 376.29776 HMDB00713 PFEM_hmdb_metabocards_official NA NA +HMDB00717 Isolithocholic acid C24H40O3 376.29776 HMDB00717 PFEM_hmdb_metabocards_official NA NA +HMDB00761 Lithocholic acid C24H40O3 376.29776 HMDB00761 PFEM_hmdb_metabocards_official NA NA +HMDB02431 12b-Hydroxy-5b-cholanoic acid C24H40O3 376.29776 HMDB02431 PFEM_hmdb_metabocards_official NA NA +HMDB02492 7a-hydroxy-5b-cholanic acid C24H40O3 376.29776 HMDB02492 PFEM_hmdb_metabocards_official NA NA +HMDB00381 Allolithocholic acid C24H40O3 376.29776 NA HMDB2010 NA NA +HMDB00713 Isoallolithocholic acid C24H40O3 376.29776 NA HMDB2010 NA NA +HMDB00717 Isolithocholic acid C24H40O3 376.29776 NA HMDB2010 NA NA +HMDB00761 Lithocholic acid C24H40O3 376.29776 NA HMDB2010 NA NA +HMDB02431 12b-Hydroxy-5b-cholanoic acid C24H40O3 376.29776 NA HMDB2010 NA NA +HMDB02492 7a-Hydroxy-5b-cholanic acid C24H40O3 376.29776 NA HMDB2010 NA NA +MJ049749 24,25-Dinor-1,3,5(10),12-oleanatetraene C28H40 376.313001 NA MeJP NA NA +MJ049750 24,25-Dinor-1,3,5(10),12-ursatetraene C28H40 376.313001 NA MeJP NA NA +MJ049751 24,25-Dinor-1,3,5(10),9(11)-arborinatetraene C28H40 376.313001 NA MeJP NA NA +MJ049752 17-Cheilanthene-6,13,19-triol, 6-Deoxy C25H44O2 376.33413 NA MeJP NA NA +MJ049753 5-Nonadecyl-1,3-benzenediol C25H44O2 376.33413 NA MeJP NA NA +MJ049754 3,20-Diaminopregnan-4-ol, N3,N20,N20-Tri-Me C24H44N2O 376.345364 NA MeJP NA NA +MJ049755 1,18-Heptacosadiene C27H52 376.406901 NA MeJP NA NA +MJ049756 5,9-Heptacosadiene C27H52 376.406901 NA MeJP NA NA +MJ049757 6,9-Heptacosadiene C27H52 376.406901 NA MeJP NA NA +MJ049758 7,11-Heptacosadiene C27H52 376.406901 NA MeJP NA NA +MJ049759 9,13-Heptacosadiene C27H52 376.406901 NA MeJP NA NA +2646 synthetic fr, of human beta-CN (192-197) ACE inhibitor PHQIYP 376.6835 MH2+ Inhouse_peptide NA peptide +MJ049760 [8-Carboxylato-1,9-dimercapto-2,6-dioxo-3,7-diazanonanato]oxotechnetate(V)(1-) C8H10N2O5S2Tc(-) 376.918153 NA MeJP NA NA +MJ049761 Fursalan C12H13Br2NO3 376.926218 NA MeJP NA NA +MJ049762 Arsenamide C11H12AsNO5S2 376.937285 NA MeJP NA NA +MJ049763 Dembrexine C13H17Br2NO2 376.962604 NA MeJP NA NA +MJ049764 Diaquabis(2-hydroxybenzoato-O1,O2)oxovanadium(IV) C14H14O9V 377.007745 NA MeJP NA NA +C17275 Glucosisymbrin C10H19NO10S2 377.045 NA KEGG NA NA +MJ049765 2-Hydroxy-1-methylethyl glucosinolate C10H19NO10S2 377.045037 NA MeJP NA NA +MJ049766 2-Hydroxypropyl glucosinolate C10H19NO10S2 377.045037 NA MeJP NA NA +MJ049767 3-Hydroxypropyl glucosinolate C10H19NO10S2 377.045037 NA MeJP NA NA +MetaCyc03260 3-hydroxypropyl-glucosinolate [] C10H19N1O10S2 377.045037 NA metacyc NA NA +MJ049768 Antibiotic RIT 2214 C13H19N3O6S2 377.071526 NA MeJP NA NA +MJ049769 Sparsomycin; S15-Oxide (R-) C13H19N3O6S2 377.071526 NA MeJP NA NA +MJ049770 Sparsomycin; S15-Oxide (S-) C13H19N3O6S2 377.071526 NA MeJP NA NA +MJ049771 Sporoxomycin A1 C13H19N3O6S2 377.071526 NA MeJP NA NA +MJ049772 Oxychelirubine C21H15NO6 377.089937 NA MeJP NA NA +MJ049773 Chelirubine; 5-Hydroxy C21H16NO6(+) 377.089937 NA MeJP NA NA +MJ049774 4-[5-(4-Fluorophenyl)-2-[4-(methylthio)phenyl]-1H-imidazol-4-yl]pyridine; S-Oxide C21H16FN3OS 377.099811 NA MeJP NA NA +MJ049775 Ronifibrate C19H20ClNO5 377.103 NA MeJP NA NA +PJ000668 DDE C13H19N3O10 377.1071 NA PeJP NA NA +C12198 6-(2-Hydroxyethyl)-5,6-dihydrosanguinarine C22H19NO5 377.1263 NA KEGG NA NA +MJ049776 Ethoxydihydrosanguinarine C22H19NO5 377.126322 NA MeJP NA NA +MJ049777 Piscerythoxazole C22H19NO5 377.126322 NA MeJP NA NA +MJ049778 Chelilutine C22H20NO5(+) 377.126322 NA MeJP NA NA +MJ049779 Sanguirubine C22H20NO5(+) 377.126322 NA MeJP NA NA +MetaCyc03261 kinetin-9-N-glucoside [] C16H19N5O6 377.133533 NA metacyc NA NA +MetaCyc03262 kinetin-7-N-glucoside [] C16H19N5O6 377.133533 NA metacyc NA NA +HMDB12243 Kinetin-7-N-glucoside C16H19N5O6 377.133545 NA HMDB2010 NA NA +HMDB12244 Kinetin-9-N-glucoside C16H19N5O6 377.133545 NA HMDB2010 NA NA +PJ000669 NNM C13H23N5O6S 377.1369 NA PeJP NA NA +MJ049780 Euxylophoricine D C21H19N3O4 377.137556 NA MeJP NA NA +CJpos0782 Riboflavin (Vitamin B2) [M+H]+ (13C) C16[13]CH21O6N4 377.141075 C18rt(min)=5.78 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0782 Riboflavin (Vitamin B2) [M+H]+ (13C) C16[13]CH21O6N4 377.141075 C18rt(min)=5.78 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +PJ000670 TEE C14H23N3O9 377.1434 NA PeJP NA NA +MJ049781 Risotilide C15H27N3O4S2 377.144297 NA MeJP NA NA +PJ000671 PMM C15H27N3O4S2 377.1443 NA PeJP NA NA +MJ049782 Galasine C19H23NO7 377.147452 NA MeJP NA NA +MJ049783 Galwesine; 16-Hydroxy C19H23NO7 377.147452 NA MeJP NA NA +PJ000672 GSSQ C13H23N5O8 377.1547 NA PeJP NA NA +MJ049784 Thiocarbanidin C22H23N3OS 377.156183 NA MeJP NA NA +PJ000673 PDF C18H23N3O6 377.1587 NA PeJP NA NA +MJ049785 Methionylserylleucineyl C15H27N3O6S 377.162056 NA MeJP NA NA +PJ000674 VEM C15H27N3O6S 377.1621 NA PeJP NA NA +MJ049786 Cryptopleuridine C23H23NO4 377.162708 NA MeJP NA NA +MJ049787 Severifoline; 11-Hydroxy C23H23NO4 377.162708 NA MeJP NA NA +MJ049788 Domitroban C20H27NO4S 377.166079 NA MeJP NA NA +MJ049789 Sulfinalol C20H27NO4S 377.166079 NA MeJP NA NA +MJ049790 N-[4-[2-Ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl]-2-benzothiazolamine C21H23N5S 377.167416 NA MeJP NA NA +PJ000675 CQK C14H27N5O5S 377.1733 NA PeJP NA NA +35 Collagen GFXGTXGLXGF 377.177 MH2+ Inhouse_peptide NA peptide +MJ049791 Rhizobactin C15H27N3O8 377.179814 NA MeJP NA NA +3505 ACE inhibitor (beta-CN fr,59-61) VYP 377.183 ACE inhibitor Inhouse_peptide NA peptide +7634 ACE inhibitor from k-CN (fr, 21-23) YVP 377.183 antioxidative Inhouse_peptide NA peptide +MJ049792 Acutudaurine C20H27NO6 377.183837 NA MeJP NA NA +MJ049793 Hernandine; 7(or 8)-Me ether C20H27NO6 377.183837 NA MeJP NA NA +MJ049794 Longanine; 4-Me ether C20H27NO6 377.183837 NA MeJP NA NA +MJ049795 Miersine C20H27NO6 377.183837 NA MeJP NA NA +MJ049796 Senecionine; 15E-Isomer, O-Ac C20H27NO6 377.183837 NA MeJP NA NA +MJ049797 Pyrimidifen C20H28ClN3O2 377.187004 NA MeJP NA NA +MJ049798 Cinuperone C23H24FN3O 377.19034 NA MeJP NA NA +PJ000676 GSSK C14H27N5O7 377.1911 NA PeJP NA NA +MJ049799 Murocainide C19H27N3O5 377.19507 NA MeJP NA NA +PJ000677 PVY C19H27N3O5 377.1951 NA PeJP NA NA +MJ049800 Etoperidone C19H28ClN5O 377.198238 NA MeJP NA NA +MJ049801 4-Benzyl-3,6-tropanediol, 3-(E-Cinnamoyl) C24H27NO3 377.199093 NA MeJP NA NA +MJ049802 Cryptopleurine C24H27NO3 377.199093 NA MeJP NA NA +MJ049803 Dioncophylline A C24H27NO3 377.199093 NA MeJP NA NA +MJ049804 Dioncophylline B; 1-Epimer, 8-Me ether C24H27NO3 377.199093 NA MeJP NA NA +MJ049805 Glycocitrine VI C24H27NO3 377.199093 NA MeJP NA NA +MJ049806 Hypoestestatin 2; Deoxy C24H27NO3 377.199093 NA MeJP NA NA +MJ049807 Murrayaquinone D; Me ether C24H27NO3 377.199093 NA MeJP NA NA +MJ049808 Paxinorol C24H27NO3 377.199093 NA MeJP NA NA +C10586 Cryptopleurine C24H27NO3 377.1991 NA KEGG NA NA +C12336 Dioncophylline A C24H27NO3 377.1991 NA KEGG NA NA +PJ000678 CKK C15H31N5O4S 377.2097 NA PeJP NA NA +MJ049809 Antibiotic R 39MF C23H27N3O2 377.210327 NA MeJP NA NA +MJ049810 Cyclocelabenzine C23H27N3O2 377.210327 NA MeJP NA NA +MJ049811 Isocyclocelabenzine C23H27N3O2 377.210327 NA MeJP NA NA +MJ049812 Margaritarine C23H27N3O2 377.210327 NA MeJP NA NA +MJ049813 Morazone C23H27N3O2 377.210327 NA MeJP NA NA +MJ049814 Quilostigmine C23H27N3O2 377.210327 NA MeJP NA NA +8293 Fatty acid synthase inhibitor KNPQLR 377.21595 MH2+ Inhouse_peptide NA peptide +MJ049815 Heteratisine; O-De-Me C21H31NO5 377.220223 NA MeJP NA NA +MJ049816 4-(Diphenylmethoxy)-1-[3-(1H-tetrazol-5-yl)propyl]piperidine C22H27N5O 377.22156 NA MeJP NA NA +MJ049817 Metoquizine C22H27N5O 377.22156 NA MeJP NA NA +PJ000679 VLF C20H31N3O4 377.2315 NA PeJP NA NA +MJ049818 Aurachin F C25H31NO2 377.235479 NA MeJP NA NA +MJ049819 Famprofazone C24H31N3O 377.246712 NA MeJP NA NA +MJ049820 Homopipramol C24H31N3O 377.246712 NA MeJP NA NA +C08693 Karakoline C22H35NO4 377.2566 NA KEGG NA NA +MJ049821 Aconosine C22H35NO4 377.256608 NA MeJP NA NA +MJ049822 Karakoline C22H35NO4 377.256608 NA MeJP NA NA +MJ049823 Ethylhexadecyldimethylammonium(1+); Bromide C20H44BrN 377.265713 NA MeJP NA NA +MJ049824 Alginine C23H39NO3 377.292994 NA MeJP NA NA +MJ049825 Madangolide C23H39NO3 377.292994 NA MeJP NA NA +C14937 6beta-(Dimethylamino)-3beta,5-dihydroxy-5alpha-pregnan-20-one C23H39NO3 377.293 NA KEGG NA NA +C14966 17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol C23H39NO3 377.293 NA KEGG NA NA +MJ049826 Mycalazoles; Mycalazole 4, 14',15'-Dihydro C24H43NO2 377.329379 NA MeJP NA NA +7493 ACE inhibitor (from bovine beta-CN) DKIHPF 377.69145 MH2+ Inhouse_peptide NA peptide +7895 peptide from human milk b-casein (193-198) HQIYPV 377.6915 MH2+ Inhouse_peptide NA peptide +MJ049827 Talc H2Mg3O12Si4 377.817457 NA MeJP NA NA +C13718 Dieldrin C12H8Cl6O 377.8706 NA KEGG NA NA +C18124 Endrin C12H8Cl6O 377.8706 NA KEGG NA NA +C18125 1-Acyl-sn-glycero-3-phosphoserine C7H13NO9PR 377.8706 NA KEGG NA NA +C18126 1-Acyl-sn-glycero-3-phosphoglycerol C7H14O9PR 377.8706 NA KEGG NA NA +MJ049828 Dieldrin C12H8Cl6O 377.870631 NA MeJP NA NA +MJ049829 Endrin, ESA C12H8Cl6O 377.870631 NA MeJP NA NA +MJ049830 Pantoneurine A; 2-Epimer, 8-chloro C10H14Br2Cl2O 377.878845 NA MeJP NA NA +MJ049831 14,14-Dibromo-4,6,13-tetradecatrienoic acid C14H20Br2O2 377.983005 NA MeJP NA NA +MJ049832 Molokaiamine; N3'',N3''-Di-Me C13H20Br2N2O 377.994238 NA MeJP NA NA +MJ049833 1,4,6,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid; 8-Me ether, 5-chloro C17H11ClO8 378.014245 NA MeJP NA NA +MJ049834 2,10-Dibromo-7-chamigren-3-ol C15H24Br2O 378.01939 NA MeJP NA NA +MJ049835 2,11-Dibromo-7(14)-chamigren-3-ol C15H24Br2O 378.01939 NA MeJP NA NA +MJ049836 2-Bromo-4-(4-bromo-3,3-dimethylcyclohexyl)-1-methyl-7-oxabicyclo[2.2.1]heptane C15H24Br2O 378.01939 NA MeJP NA NA +MJ049837 Palisadin B C15H24Br2O 378.01939 NA MeJP NA NA +C16615 6-Methylthiopurine 5'-monophosphate ribonucleotide C11H15N4O7PS 378.0399 NA KEGG NA NA +MJ049838 1,6,8-Trihydroxy-3-propylanthraquinone; 6-O-Sulfate C17H14O8S 378.040938 NA MeJP NA NA +MJ049839 2-[[(2-Chlorophenyl)amino]thioxomethyl]-2'-[1-(2-pyridinyl)ethylidene]carbonothioic dihydrazide C15H15ClN6S2 378.048813 NA MeJP NA NA +C10027 Chlorflavonin C18H15ClO7 378.0506 NA KEGG NA NA +MJ049840 3'-Chloro-2',5-dihydroxy-3,7,8-trimethoxyflavone C18H15ClO7 378.05063 NA MeJP NA NA +MJ049841 Norgangaleoidin; 4-Dechloro, 8-Me ether C18H15ClO7 378.05063 NA MeJP NA NA +FL5FF8NSH001 Chlorflavonin C18H15ClO7 378.05063 23363-64-6 knapsack NA NA +MJ049842 Aldophosphamide; Acetal, di-Ac C11H21Cl2N2O6P 378.051428 NA MeJP NA NA +C14295 Ritipenem acoxil hydrate C13H16N2O8S 378.0733 NA KEGG NA NA +FL2FAANF0011 Anastatin A;(2S)-2,3-Dihydro-5,7,8-trihydroxy-2-(4-hydroxyphenyl)-4H-Benzofuro[3,2-g]-1-benzopyran-4-one C21H14O7 378.07395 571186-32-8 knapsack NA NA +FL2FAANF0012 Anastatin B;(2S)-2,3-Dihydro-5,9,10-trihydroxy-2-(4-hydroxyphenyl)-4H-benzofuro[2,3-h]-1-benzopyran-4-one C21H14O7 378.07395 571186-33-9 knapsack NA NA +MJ049843 3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4':4,5-Bis(methylene), 7-Me ether C21H14O7 378.073952 NA MeJP NA NA +MJ049844 3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4':4,5-Bis(methylene), 7-Me ether C21H14O7 378.073952 NA MeJP NA NA +MJ049845 3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 9-Oxo, 4,5-methylene, 3',4'-di-Me ether C21H14O7 378.073952 NA MeJP NA NA +MJ049846 3,3',4,4',7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3,4:3',4'-Bis(methylene ether), 7-Me ether C21H14O7 378.073952 NA MeJP NA NA +MJ049847 3,4,4',5,5'-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4':4,5-Bismethylene, 5'-Me ether C21H14O7 378.073952 NA MeJP NA NA +MJ049848 ?1-Pyrromycinone C21H14O7 378.073952 NA MeJP NA NA +MetaCyc03263 7-methylguanosine-5-phosphate [] C11H17N5O8P1 378.081474 NA metacyc NA NA +C03998 7-Methylguanosine 5'-phosphate C11H17N5O8P 378.0815 NA KEGG NA NA +C03999 Alanyl-poly(glycerolphosphate) H2O 378.0815 NA KEGG NA NA +CJneg0568 kynurenic acid [(2M-H)]- C20H13N2O6 378.085725 C18rt(min)=5.39 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0568 kynurenic acid [(2M-H)]- C20H13N2O6 378.085725 C18rt(min)=5.39 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ049849 17-Chloro-15,16-epoxy-8-hydroxy-19-nor-4,13(16),14-clerodatriene-18,6:20,12-diolide C19H19ClO6 378.087016 NA MeJP NA NA +MJ049850 Haiderin C19H19ClO6 378.087016 NA MeJP NA NA +MJ049851 Carbenicillin C17H18N2O6S 378.088557 NA MeJP NA NA +C06869 Carbenicillin C17H18N2O6S 378.0886 NA KEGG NA NA +MJ049852 ?,?,4-Trichlorobenzenedodecanoic acid C18H25Cl3O2 378.092013 NA MeJP NA NA +CJneg0569 Sucrose (and isomers) [(M+Cl)]- C12H22ClO11 378.093425 C18rt(min)=0.95 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0569 Sucrose (and isomers) [(M+Cl)]- C12H22ClO11 378.093425 C18rt(min)=0.95 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ049853 ?-Sorigenin; 8-O-?-D-Glucopyranoside C18H18O9 378.095082 NA MeJP NA NA +MJ049854 2,6-Diamino-3a,4,9,10-tetrahydro-10-hydroxy-1H,8H-pyrrolo[1,2-c]purine-4-methanol; 9?-Hydroxy, 11-Ac, 9-sulfate C11H18N6O7S 378.095767 NA MeJP NA NA +PJ000680 GPCC C13H22N4O5S2 378.1032 NA PeJP NA NA +MJ049855 1,1'-(Dithiodicarbonothioyl)bis(hexahydro-4-methyl-1H-1,4-diazepine) C14H26N4S4 378.104029 NA MeJP NA NA +MJ049856 Dithiosilvatin C18H22N2O3S2 378.107183 NA MeJP NA NA +C10506 Millettone C22H18O6 378.1103 NA KEGG NA NA +FL3F19NF0003 Glabratephrinol;(3R,4R)-rel-(+)-4,5-Dihydro-4-hydroxy-5,5-dimethyl-2'-phenyl-spiro[furan-3(2H),9'(8'H)-[4H]furo[2,3-h][1]benzopyran]-2,4'-dione C22H18O6 378.11033 75444-24-5 knapsack NA NA +FL3F2CNP0001 Isopongachromene C22H18O6 378.11033 86894-36-2 knapsack NA NA +FL3FBCNP0001 5-Methoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone C22H18O6 378.11033 64125-34-4 knapsack NA NA +FL5F1CNP0001 Pongachromene;3-Methoxy-8,8-dimethyl-2-[3,4-(methylenedioxy)phenyl]-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one;2-(1,3-Benzodioxol-5-yl)-3-methoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C22H18O6 378.11033 22037-31-6 knapsack NA NA +FLIA1GNP0001 Isojamaicin;3'-Methoxy-4',5'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone C22H18O6 378.11033 124596-68-5 knapsack NA NA +FLIA1LNP0002 Jamaicin C22H18O6 378.11033 24211-36-7 knapsack NA NA +FLIA2CNP0001 Durmillone C22H18O6 378.11033 01/09/7731 knapsack NA NA +FLIABCNF0001 Glabrescione A C22H18O6 378.11033 65893-95-0 knapsack NA NA +FLIABCNP0001 Robustone methyl ether C22H18O6 378.11033 22044-57-1 knapsack NA NA +FLIF1LNF0005 Isomillettone C22H18O6 378.11033 22256-05-9 knapsack NA NA +FLIF1LNP0002 Millettone C22H18O6 378.11033 50376-38-0 knapsack NA NA +MJ049857 11-Methylgerberinol C22H18O6 378.110338 NA MeJP NA NA +MJ049858 2-(1,3-Benzodioxol-5-yl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one; 5-Methoxy C22H18O6 378.110338 NA MeJP NA NA +MJ049859 3',4'-Dihydro-4',8,8'-trihydroxy-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',4-(2'H)-trione C22H18O6 378.110338 NA MeJP NA NA +MJ049860 5,6-Dihydroxy-8-(3,4-dihydroxyphenyl)-2,2-dimethyl-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-one; 8-Deoxy, 3',4'-methylene, 7-Me ether C22H18O6 378.110338 NA MeJP NA NA +MJ049861 Antibiotic SS 43405E; 13-Hydroxy C22H18O6 378.110338 NA MeJP NA NA +MJ049862 Antibiotic SS 43405E; 14-Hydroxy C22H18O6 378.110338 NA MeJP NA NA +MJ049863 Antibiotic SS 43405E; 16-Hydroxy C22H18O6 378.110338 NA MeJP NA NA +MJ049864 Durmillone C22H18O6 378.110338 NA MeJP NA NA +MJ049865 Erysenegalensein K C22H18O6 378.110338 NA MeJP NA NA +MJ049866 Glabratephrin, O-De-Ac C22H18O6 378.110338 NA MeJP NA NA +MJ049867 Glabrescione A C22H18O6 378.110338 NA MeJP NA NA +MJ049868 Isojamaicin C22H18O6 378.110338 NA MeJP NA NA +MJ049869 Isomillettone C22H18O6 378.110338 NA MeJP NA NA +MJ049870 Isopongachromene C22H18O6 378.110338 NA MeJP NA NA +MJ049871 Jamaicin C22H18O6 378.110338 NA MeJP NA NA +MJ049872 Millettone; natural-form C22H18O6 378.110338 NA MeJP NA NA +MJ049873 Pongachromene C22H18O6 378.110338 NA MeJP NA NA +MJ049874 Robustone; Me ether C22H18O6 378.110338 NA MeJP NA NA +MJ049875 Tetrahydrodiospyrin C22H18O6 378.110338 NA MeJP NA NA +MJ049876 Antirrhinoside; 10-Hydroxy C15H22O11 378.116211 NA MeJP NA NA +MJ049877 Mefloquine C17H16F6N2O 378.116682 NA MeJP NA NA +C07633 Mefloquine C17H16F6N2O 378.1167 NA KEGG NA NA +PJ000681 NDM C13H22N4O7S 378.1209 NA PeJP NA NA +MJ049878 Camptothecin, 10-Methoxy C21H18N2O5 378.121571 NA MeJP NA NA +MJ049879 Camptothecin, 7-Methoxy C21H18N2O5 378.121571 NA MeJP NA NA +MJ049880 Camptothecin, 9-Methoxy C21H18N2O5 378.121571 NA MeJP NA NA +MJ049881 Corydamineyl C21H18N2O5 378.121571 NA MeJP NA NA +MJ049882 Isopropicillin C18H22N2O5S 378.124942 NA MeJP NA NA +MJ049883 Propicillin C18H22N2O5S 378.124942 NA MeJP NA NA +3353 Antithrombotic peptide SSGE 378.127 celiac toxic Inhouse_peptide NA peptide +MJ049884 1,10:14,15-Diepoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) C19H22O8 378.131467 NA MeJP NA NA +MJ049885 1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) C19H22O8 378.131467 NA MeJP NA NA +MJ049886 1,10;2,3;4,15-Triepoxy-5,8-dihydroxy-11(13)-germacren-12,6-olide, 8-(2-Methylpropenoyl) C19H22O8 378.131467 NA MeJP NA NA +MJ049887 1,2-Bis(2,4-dihydroxyphenyl)ethane; 2-O-?-D-Xylopyranoside C19H22O8 378.131467 NA MeJP NA NA +MJ049888 1,4-Epoxy-8,10,13-trihydroxy-1,5,7(11)-germacratrien-12,6-olide, 8,13-Di-Ac C19H22O8 378.131467 NA MeJP NA NA +MJ049889 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-?-L-Arabinopyranoside C19H22O8 378.131467 NA MeJP NA NA +MJ049890 2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1-Me ether, 1'-benzoyl, 3,4-di-Ac C19H22O8 378.131467 NA MeJP NA NA +MJ049891 2-Acetyl-3-methyl-1,8-naphthalenediol; 1-O-?-D-Glucopyranoside C19H22O8 378.131467 NA MeJP NA NA +MJ049892 2-Acetyl-3-methyl-1,8-naphthalenediol; 8-O-?-D-Glucopyranoside C19H22O8 378.131467 NA MeJP NA NA +MJ049893 3,11-Tridecadiene-5,7,9-triyne-1,2,13-triol, 2-O-?-D-Glucopyranoside C19H22O8 378.131467 NA MeJP NA NA +MJ049894 Elenaic acid; (3,4-Dihydroxyphenylethyl) ester C19H22O8 378.131467 NA MeJP NA NA +MJ049895 Elenaic acid; 6-Epimer, 2-(3,4-dihydroxyphenylethyl)ester C19H22O8 378.131467 NA MeJP NA NA +MJ049896 Excavatin D, 2'?,3'?,7'?-Trihydroxy, 2',3',6',7'-tetrahydro C19H22O8 378.131467 NA MeJP NA NA +MJ049897 Gibberellin A3; 12?,15?-Dihydroxy C19H22O8 378.131467 NA MeJP NA NA +MJ049898 Hypothemicin C19H22O8 378.131467 NA MeJP NA NA +MJ049899 Jasmolactone A C19H22O8 378.131467 NA MeJP NA NA +MJ049900 Podolactone A C19H22O8 378.131467 NA MeJP NA NA +MJ049901 Salignone I C19H22O8 378.131467 NA MeJP NA NA +MJ049902 Syringopicrogenin A; 3'-Methoxy, 3''-hydroxy C19H22O8 378.131467 NA MeJP NA NA +C09477 Hydroxyvernolide C19H22O8 378.1315 NA KEGG NA NA +MJ049903 6,6'-Dihydroxy-?,?'-diisocyano-[1,1'-biphenyl]-3,3'-dipropanamide C20H18N4O4 378.132805 NA MeJP NA NA +MJ049904 Thaxtomin A; 3,3''-Dideoxy, N1, N4-di-de-Me C20H18N4O4 378.132805 NA MeJP NA NA +C12229 Chelilutine C22H20NO5 378.1341 NA KEGG NA NA +C12230 Sanguirubine C22H20NO5 378.1341 NA KEGG NA NA +PJ000682 ACW C17H22N4O4S 378.1362 NA PeJP NA NA +MJ049905 [6-(2-Chloro-4-methoxyphenoxy)hexyl]phosphonic acid; Di-Et ester C17H28ClO5P 378.136288 NA MeJP NA NA +HMDB11739 Galactinol dihydrate C12H26O13 378.137329 NA HMDB2010 NA NA +PJ000683 GSSE C13H22N4O9 378.1387 NA PeJP NA NA +C09759 Isouvaretin C23H22O5 378.1467 NA KEGG NA NA +C09978 Uvaretin C23H22O5 378.1467 NA KEGG NA NA +FL1DA9NC0001 Isouvaretin C23H22O5 378.14672 61463-03-4 knapsack NA NA +FL1DA9NC0003 Uvaretin C23H22O5 378.14672 58449-06-2 knapsack NA NA +FL1DA9NC0014 2',6'-Dihydroxy-4'-methoxy-3'-(2-hydroxybenzyl)dihydrochalcone C23H22O5 378.14672 61463-10-3 knapsack NA NA +MJ049906 5,10-Dihydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2H,6H-pyrano[3,2-b]xanthen-6-one C23H22O5 378.146723 NA MeJP NA NA +MJ049907 6,11-Dihydroxy-3-methyl-3-(4-methyl-3-pentenyl)-3H,7H-pyrano[2,3-c]xanthen-7-one C23H22O5 378.146723 NA MeJP NA NA +MJ049908 9,10-Dihydro-1-(4-hydroxybenzyl)-2,4,7,8-phenanthrenetetrol; 4,7-Di-Me ether C23H22O5 378.146723 NA MeJP NA NA +MJ049909 9,10-Dihydro-1-(4-hydroxybenzyl)-2,4,7,8-phenanthrenetetrol; 4,8-Di-Me ether C23H22O5 378.146723 NA MeJP NA NA +MJ049910 Calabaxanthone; O-De-Me C23H22O5 378.146723 NA MeJP NA NA +MJ049911 Calothwaitesixanthone C23H22O5 378.146723 NA MeJP NA NA +MJ049912 Calozeyloxanthone C23H22O5 378.146723 NA MeJP NA NA +MJ049913 Cernuanone; Cinnamoyl C23H22O5 378.146723 NA MeJP NA NA +MJ049914 Cudraxanthone I C23H22O5 378.146723 NA MeJP NA NA +MJ049915 Garciniaxanthone B C23H22O5 378.146723 NA MeJP NA NA +MJ049916 Macluraxanthone; 9-Deoxy C23H22O5 378.146723 NA MeJP NA NA +MJ049917 Morusignin J; 1-Deoxy C23H22O5 378.146723 NA MeJP NA NA +MJ049918 Pleionol C23H22O5 378.146723 NA MeJP NA NA +MJ049919 Thwaitesixanthone; 11,12-Dihydro C23H22O5 378.146723 NA MeJP NA NA +MJ049920 Toxyloxanthone A C23H22O5 378.146723 NA MeJP NA NA +MJ049921 Uvaretin C23H22O5 378.146723 NA MeJP NA NA +MJ049922 Abafungin C21H22N4OS 378.151432 NA MeJP NA NA +MJ049923 Lamiol C16H26O10 378.152597 NA MeJP NA NA +MJ049924 Shanzhiside; 11-Alcohol C16H26O10 378.152597 NA MeJP NA NA +C01007 Reduced riboflavin C17H22N4O6 378.1539 NA KEGG NA NA +PJ000684 SSW C17H22N4O6 378.1539 NA PeJP NA NA +MetaCyc03264 reduced riboflavin [] C17H22N4O6 378.153934 NA metacyc NA NA +PJ000685 TQM C14H26N4O6S 378.1573 NA PeJP NA NA +MJ049925 10,22-Dioxokopsane; N-Methoxycarbonyl C22H22N2O4 378.157957 NA MeJP NA NA +MJ049926 Serpenticine C22H22N2O4 378.157957 NA MeJP NA NA +MJ049927 Gemopatrilat C19H26N2O4S 378.161328 NA MeJP NA NA +MJ049928 Zinterol C19H26N2O4S 378.161328 NA MeJP NA NA +8221 antioxidative peptide TSTA 378.163 Bile-acid glycine conjugates ;SYN:3a,7a,12a-Trihydroxy-5b-cholan-24-oylglycine; 3a,7a,12a-Trihydroxy-5b-cholanic acid-24-glycine; 3a,7a,12a-Trihydroxy-N-(carboxymethyl)-5b-cholan-24-amide; Cholylglycine; Glycine cholate; Glycocholate; Glycocholic acid; Glycoreductodehydrocholic acid; Glycylcholate; Glycylcholic acid; N-(carboxymethyl)-3a,7a,12a-trihydroxy-5b-Cholan-24-amide; N-Choloylglycine; N-choloyl-GlycineH2Blood; Urine Inhouse_peptide NA peptide +MJ049929 1,10-Epoxy-3,6,8-trihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049930 1,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 4?,5-Dihydro, 3-ketone, 8-angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049931 1,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049932 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(4-Hydroxy-2-methyl-2Z-butenoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049933 1,10-Epoxy-6,8-dihydroxy-7(11)-eremophilen-12,8-olide, 6-(3-Methoxy-2-methylenepropanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049934 1,10-Epoxy-6,8-dihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether, 6-(3-hydroxy-2-methylenepropanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049935 1,10-Epoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049936 1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-Tigloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049937 1,10:7,8-Diepoxy-3,6-dihydroxy-12,8-eremophilanolide, 6-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049938 1,10;4,5-Diepoxy-2,8-dihydroxy-11(13)-germacren-12,6-olide, 8-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049939 1,4,8,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 8-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049940 1,4,9,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 9-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049941 1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 9-(2-Methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049942 1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 9-(3-Methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049943 1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-Tigloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049944 1,7,15-Trihydroxy-3,13-clerodadien-18,19:16,15-diolide C20H26O7 378.167853 NA MeJP NA NA +MJ049945 1,8-Dihydroxy-15-oxo-11(13)-eudesmen-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049946 1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049947 1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049948 1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049949 1,8-Dihydroxy-9-oxo-4,11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049950 15,16-Epoxy-2,6,18,19-tetrahydroxy-3,13(16),14-clerodatrien-20,12-olide C20H26O7 378.167853 NA MeJP NA NA +MJ049951 15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8?,17-Epoxy C20H26O7 378.167853 NA MeJP NA NA +MJ049952 15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8?-Hydroxy, 3-ketone C20H26O7 378.167853 NA MeJP NA NA +MJ049953 15,16-Epoxy-3,6,7,19-tetrahydroxy-4(18),13(16),14-clerodatrien-20,12-olide C20H26O7 378.167853 NA MeJP NA NA +MJ049954 15,16-Epoxy-6,7,18,19-tetrahydroxy-3,13(16),14-clerodatrien-20,12-olide C20H26O7 378.167853 NA MeJP NA NA +MJ049955 18(4?3)-Abeo-7,8:13,14-diepoxy-9,11,13-trihydroxy-4-abieten-18,19-olide C20H26O7 378.167853 NA MeJP NA NA +MJ049956 2,3,4,8-Tetrahydroxy-1(10),11(13)-guaiadien-12,6-olide, 8-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049957 2,3-Epoxy-2,15-dihydroxy-2,3-seco-3,10(14)-aromadendradien-13-al; 2?-form, 13-Carboxylic acid, di-Ac, Me ester C20H26O7 378.167853 NA MeJP NA NA +MJ049958 2,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049959 2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2R,3R-Epoxy-2-hydroxymethylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049960 2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[2,3-Epoxy-2-(1-hydroxyethyl)propanoyl] C20H26O7 378.167853 NA MeJP NA NA +MJ049961 3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 1-Ketone, 8-O-(2-methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049962 3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049963 3,10-Epoxy-2,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049964 3,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049965 3,10-Epoxy-8,9-dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049966 3,4-Epoxy-1,11-dihydroxy-7(14),9-bisaboladiene-2,8-dione, 11-Hydroperoxide, 1-tigloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049967 3,4:10,14-Diepoxy-2,8-dihydroxy-11(13)-guaien-12,6-olide, 8-(2-Methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049968 3,4:10,14-Diepoxy-2,8-dihydroxy-11(13)-guaien-12,6-olide, 8-(3-Methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049969 3,8,10-Trihydroxy-1,4,11(13)-germacratrien-12,6-olide, 1?,2?-Epoxide, 8-angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049970 3,8,10-Trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Tigloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049971 3,8,10-Trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049972 3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049973 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049974 3,8-Dihydroxy-4-rotunden-13,6-olide, 8-(3,4-Dihydroxy-2-methylenebutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049975 4,10:15,16-Diepoxy-6,18,19-trihydroxy-13(16),14-clerodadien-20,12-olide C20H26O7 378.167853 NA MeJP NA NA +MJ049976 4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2,3-Epoxy-2-methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049977 4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2-Hydroxymethyl-2Z-butenoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049978 4,19:15,16-Diepoxy-6,10,18-trihydroxy-13(16),14-clerodadien-20,12-olide C20H26O7 378.167853 NA MeJP NA NA +MJ049979 4,5-Epoxy-8,10,13-trihydroxy-7-guaien-12,6-olide, 8-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049980 4,5-Epoxy-8,15-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 8-O-(4-Hydroxy-2-methyl-2E-butenoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049981 4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, (4-Hydroxy-2-hydroxymethyl-2Z-butenoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049982 4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, (4-Hydroxy-2-hydroxymethyl-2E-butenoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049983 4,8,9-Trihydroxy-14-oxo-11(13)-guaiaen-12,6-olide, 8-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049984 4,8,9-Trihydroxy-14-oxo-11(13)-guaiaen-12,6-olide, 9-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049985 6,8-Dihydroxy-7(11)-eremophilen-12,8-olid-15-oic acid, 6-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ049986 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1S,2-Epoxide, 6-(2-methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049987 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1S,2-Epoxide, 6-(3-methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049988 6-Tetradecene-8,10,12-triyne-1,3-diol, 1-O-?-D-Glucopyranoside C20H26O7 378.167853 NA MeJP NA NA +MJ049989 6-Tetradecene-8,10,12-triyne-1,3-diol, 3-O-?-D-Glucopyranoside C20H26O7 378.167853 NA MeJP NA NA +MJ049990 7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049991 7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 1'-O-(3-Methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049992 7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 2'-O-(2-Methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049993 7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 2'-O-(3-Methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049994 7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 1'-O-(3-Methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049995 7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 2'-O-(2-Methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049996 7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 2'-O-(3-Methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049997 8,10,15-Trihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049998 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ049999 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ050000 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-Carboxylic acid, 15-(2-methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ050001 8,14,15-Trihydroxy-1,3,11(13)-elematrien-12,6-olide, 8-(2Z-Hydroxymethyl-2-butenoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ050002 8,15-Dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ050003 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ050004 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2-butenoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ050005 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-O-(3,4-Dihydroxy-2-methylenebutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ050006 8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, 8-(3,4-dihydroxy-2-methylenebutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ050007 8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ050008 8,9,10-Trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H26O7 378.167853 NA MeJP NA NA +MJ050009 8,9,10-Trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Tigloyl C20H26O7 378.167853 NA MeJP NA NA +MJ050010 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ050011 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2-Methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ050012 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Me ether, 8-(2-methylpropanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ050013 8,9-Dihydroxy-2-oxo-3,11(13)-germacradien-12,6-olide, 9-(2R,3R-Epoxy-2-methylbutanoyl) C20H26O7 378.167853 NA MeJP NA NA +MJ050014 Ailantinol C C20H26O7 378.167853 NA MeJP NA NA +MJ050015 Bipinnatolide I; 11?,12?-Epoxide C20H26O7 378.167853 NA MeJP NA NA +MJ050016 Carinol C20H26O7 378.167853 NA MeJP NA NA +MJ050017 Chaparrin; 13,18-Didehydro C20H26O7 378.167853 NA MeJP NA NA +MJ050018 Chaparrin; 2-Ketone C20H26O7 378.167853 NA MeJP NA NA +MJ050019 Cyclocratystyolide C20H26O7 378.167853 NA MeJP NA NA +MJ050020 Ememogin C20H26O7 378.167853 NA MeJP NA NA +MJ050021 Eremantholide B; 15-Hydroxy C20H26O7 378.167853 NA MeJP NA NA +MJ050022 Gibberellin A13 C20H26O7 378.167853 NA MeJP NA NA +MJ050023 Gibberellin A19; 12?-Hydroxy C20H26O7 378.167853 NA MeJP NA NA +MJ050024 Gibberellin A19; 15?-Hydroxy C20H26O7 378.167853 NA MeJP NA NA +MJ050025 Gibberellin A19; 20-Carboxylic acid C20H26O7 378.167853 NA MeJP NA NA +MJ050026 Gibberellin A19; 2?-Hydroxy C20H26O7 378.167853 NA MeJP NA NA +MJ050027 Gibberellin A19; 3?-Hydroxy C20H26O7 378.167853 NA MeJP NA NA +MJ050028 Gibberellin A25; 15?-Hydroxy C20H26O7 378.167853 NA MeJP NA NA +MJ050029 Gibberellin A25; 2?-Hydroxy C20H26O7 378.167853 NA MeJP NA NA +MJ050030 Gibberellin A27; 11?-Hydroxy C20H26O7 378.167853 NA MeJP NA NA +MJ050031 Icacinol C20H26O7 378.167853 NA MeJP NA NA +MJ050032 Longirabdolide C C20H26O7 378.167853 NA MeJP NA NA +MJ050033 Samaderine Z; 15-Deoxy C20H26O7 378.167853 NA MeJP NA NA +MJ050034 Secomacrotolide; 6?-Tigloyloxy, 1,10-dihydro, 1-oxo C20H26O7 378.167853 NA MeJP NA NA +MJ050035 Tepolin A C20H26O7 378.167853 NA MeJP NA NA +MJ050036 Teucrin C C20H26O7 378.167853 NA MeJP NA NA +MJ050037 Teucroxide C20H26O7 378.167853 NA MeJP NA NA +MJ050038 Teugnaphalodin C20H26O7 378.167853 NA MeJP NA NA +MJ050039 Teusalvin E C20H26O7 378.167853 NA MeJP NA NA +MetaCyc03265 GA17 [gibberellin A17;gibberellin A17;GA17;] C20H26O7 378.167853 NA metacyc NA NA +MetaCyc03266 GA46 [gibberellin A46;gibberellin A46;GA46;] C20H26O7 378.167853 NA metacyc NA NA +MetaCyc03267 GA13 [gibberellin A13;gibberellin A13;GA13;] C20H26O7 378.167853 NA metacyc NA NA +C08757 Chaparrinone C20H26O7 378.1679 NA KEGG NA NA +C09362 Cnicin C20H26O7 378.1679 NA KEGG NA NA +C09433 Eupahyssopin C20H26O7 378.1679 NA KEGG NA NA +C09517 Niveusin C C20H26O7 378.1679 NA KEGG NA NA +PJ000686 TCR C13H26N6O5S 378.1686 NA PeJP NA NA +3600 NA YPFGFCQ~ 378.173 MH2+ Inhouse_peptide NA peptide +3636 NA YPFGFQ~ 378.173 MH2+ Inhouse_peptide NA peptide +PJ000687 GTTT C14H26N4O8 378.1751 NA PeJP NA NA +3265 alpha s1-casein (91-96) YLGYLE 378.1785 MH2+ Inhouse_peptide NA peptide +MJ050040 Antibiotic BU 2545 C16H30N2O6S 378.182457 NA MeJP NA NA +C08732 Albafuran A C24H26O4 378.1831 NA KEGG NA NA +MJ050041 15-Hydroxy-3,11(13)-eudesmadien-12,8-olide, 15-Cinnamoyl (E-) C24H26O4 378.183109 NA MeJP NA NA +MJ050042 15-Hydroxy-3,11(13)-eudesmadien-12,8-olide, 15-Cinnamoyl (Z-) C24H26O4 378.183109 NA MeJP NA NA +MJ050043 2-[3,5-Dihydroxy-4-(3,7-dimethyl-2,6-octadienyl)phenyl]-6-hydroxybenzofuran C24H26O4 378.183109 NA MeJP NA NA +MJ050044 Albafuran A C24H26O4 378.183109 NA MeJP NA NA +MJ050045 Estrofurate C24H26O4 378.183109 NA MeJP NA NA +MJ050046 Ferprenin; 12'-Oxo C24H26O4 378.183109 NA MeJP NA NA +MJ050047 Isovismiaphenone B; 5-Me ether C24H26O4 378.183109 NA MeJP NA NA +MJ050048 Mulberrofuran L C24H26O4 378.183109 NA MeJP NA NA +MJ050049 Mulberrofuran N; O-De-Me C24H26O4 378.183109 NA MeJP NA NA +MJ050050 Paralycolin A; 4,7-Di-Me ether C24H26O4 378.183109 NA MeJP NA NA +MJ050051 Riligustilide; 2a,4a-Didehydro C24H26O4 378.183109 NA MeJP NA NA +MJ050052 9-Fluoro-17,21-dihydroxypregn-4-ene-3,11,20-trione C21H27FO5 378.184252 NA MeJP NA NA +MJ050053 Descinolone C21H27FO5 378.184252 NA MeJP NA NA +MJ050054 Fluprednisolone C21H27FO5 378.184252 NA MeJP NA NA +MJ050055 Isoflupredone C21H27FO5 378.184252 NA MeJP NA NA +C14484 9-Fluoroprednisolone C21H27FO5 378.1843 NA KEGG NA NA +C14618 6alpha-Fluoroprednisolone C21H27FO5 378.1843 NA KEGG NA NA +C15361 Descinolone C21H27FO5 378.1843 NA KEGG NA NA +MJ050056 Tixocortol C21H30O4S 378.18648 NA MeJP NA NA +PJ000688 VNF C18H26N4O5 378.1903 NA PeJP NA NA +3641 NA YPFGFK~ 378.191 MH2+ Inhouse_peptide NA peptide +PJ000689 TKM C15H30N4O5S 378.1937 NA PeJP NA NA +MJ050057 Pravadoline C23H26N2O3 378.194342 NA MeJP NA NA +MJ050058 Pseudostrychnine; Et ether C23H26N2O3 378.194342 NA MeJP NA NA +MJ050059 Clostebol; Propanoyl C22H31ClO3 378.196172 NA MeJP NA NA +MJ050060 Hamiltonin B; 15-Ketone (lactone) C22H31ClO3 378.196172 NA MeJP NA NA +MJ050061 Spongiaquinone; 1'-Deoxy, 2',5'-quinol, 11-chloro, 9(11)E-isomer C22H31ClO3 378.196172 NA MeJP NA NA +C14923 12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione C22H31ClO3 378.1962 NA KEGG NA NA +TEST004 Pentosidine (Arg-Lys) C17H26N6O4 378.201538 http://www.hmdb.ca/metabolites/HMDB03933 PFEM_hmdb_metabocards_urine NA urine +TEST017 Pentosidine C17H26N6O4 378.201538 http://www.hmdb.ca/metabolites/HMDB03933 PFEM_hmdb_metabocards_urine NA urine +TEST004 Pentosidine (Arg-Lys) C17H26N6O4 378.201538 http://www.hmdb.ca/metabolites/HMDB03933 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +TEST017 Pentosidine C17H26N6O4 378.201538 http://www.hmdb.ca/metabolites/HMDB03933 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +TEST004 Pentosidine (Arg-Lys) C17H26N6O4 378.201538 http://www.hmdb.ca/metabolites/HMDB03933 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +TEST017 Pentosidine C17H26N6O4 378.201538 http://www.hmdb.ca/metabolites/HMDB03933 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +TEST004 Pentosidine (Arg-Lys) C17H26N6O4 378.201538 http://www.hmdb.ca/metabolites/HMDB03933 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +TEST017 Pentosidine C17H26N6O4 378.201538 http://www.hmdb.ca/metabolites/HMDB03933 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +TEST004 Pentosidine (Arg-Lys) C17H26N6O4 378.201538 http://www.hmdb.ca/metabolites/HMDB03933 HMDB NA NA +TEST017 Pentosidine C17H26N6O4 378.201538 http://www.hmdb.ca/metabolites/HMDB03933 HMDB NA NA +HMDB03933 Pentosidine C17H26N6O4 378.201538 NA HMDB2010 NA NA +TEST004 Pentosidine (Arg-Lys) C17H26N6O4 378.201538 http://www.hmdb.ca/metabolites/HMDB03933 Inhouse_PFEM NA NA +TEST017 Pentosidine C17H26N6O4 378.201538 http://www.hmdb.ca/metabolites/HMDB03933 Inhouse_PFEM NA NA +TEST004 Pentosidine (Arg-Lys) C17H26N6O4 378.201538 http://www.hmdb.ca/metabolites/HMDB03933 PFEM_hmdb_metabocards_blood NA blood +TEST017 Pentosidine C17H26N6O4 378.201538 http://www.hmdb.ca/metabolites/HMDB03933 PFEM_hmdb_metabocards_blood NA blood +TEST004 Pentosidine (Arg-Lys) C17H26N6O4 378.201538 http://www.hmdb.ca/metabolites/HMDB03933 PFEM_hmdb_metabocards_official NA NA +TEST017 Pentosidine C17H26N6O4 378.201538 http://www.hmdb.ca/metabolites/HMDB03933 PFEM_hmdb_metabocards_official NA NA +HMDB03933 Pentosidine C17H26N6O4 378.20154 http://www.hmdb.ca/metabolites/HMDB03933 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03933 Pentosidine C17H26N6O4 378.20154 http://www.hmdb.ca/metabolites/HMDB03933 HMDB NA NA +HMDB03933 Pentosidine C17H26N6O4 378.20154 Tetrapeptides ;SYN:L-threonyl-l-LYSYL-l-prolyl-l-arginine; Polytuftsin; Tuftsin polymerH2Blood Inhouse_peptide NA peptide +HMDB03933 Pentosidine C17H26N6O4 378.20154 http://www.hmdb.ca/metabolites/HMDB03933 PFEM_hmdb_metabocards_blood NA blood +HMDB03933 Pentosidine C17H26N6O4 378.20154 HMDB03933 PFEM_hmdb_metabocards_official NA NA +MJ050062 Pentosidine C17H27N6O4(+) 378.201553 NA MeJP NA NA +PJ000690 GFR C17H26N6O4 378.2016 NA PeJP NA NA +C15291 6alpha-Hydroxycortisol C21H30O6 378.2042 NA KEGG NA NA +C17012 Nigakilactone A C21H30O6 378.2042 NA KEGG NA NA +MJ050063 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 3-Me ether, 8-(2-methylbutanoyl) C21H30O6 378.204238 NA MeJP NA NA +MJ050064 11,17,18,21-Tetrahydroxypregn-4-ene-3,20-dione C21H30O6 378.204238 NA MeJP NA NA +MJ050065 15,16-Epoxy-3,4-dihydroxy-12-oxo-13(16),14-clerodadien-17-oic acid, Me ester C21H30O6 378.204238 NA MeJP NA NA +MJ050066 2,7(14),10-Bisabolatriene-1,9,12-triol; Tri-Ac C21H30O6 378.204238 NA MeJP NA NA +MJ050067 3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 5'-Oxo, 6'-hydroxy, 6-Me ether C21H30O6 378.204238 NA MeJP NA NA +MJ050068 3,4:18,19-Diepoxy-18,19-dihydroxy-13-cleroden-15,16-olide, 18-Me ether C21H30O6 378.204238 NA MeJP NA NA +MJ050069 3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether, 6-angeloyl C21H30O6 378.204238 NA MeJP NA NA +MJ050070 3,8,10-Trihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether, 3-angeloyl C21H30O6 378.204238 NA MeJP NA NA +MJ050071 4,15-Scirpenediol, 15-(5-Hydroxy-3-methyl-2E-pentenoyl) C21H30O6 378.204238 NA MeJP NA NA +MJ050072 6,11,17,21-Tetrahydroxypregn-4-ene-3,20-dione C21H30O6 378.204238 NA MeJP NA NA +MJ050073 7-Hydroxy-6-oxo-13(15)-cassene-16,19-dioic acid, 19-Me ester C21H30O6 378.204238 NA MeJP NA NA +MJ050074 Alternaric acid; 10,11-Dideoxy, 10E,11-didehydro, 6R,19-dihydro C21H30O6 378.204238 NA MeJP NA NA +MJ050075 Austroeupatorione; 12-Deoxo C21H30O6 378.204238 NA MeJP NA NA +MJ050076 Coetsoidin C; 6?-Hydroxy C21H30O6 378.204238 NA MeJP NA NA +MJ050077 Flexilin; 4-Acetoxy C21H30O6 378.204238 NA MeJP NA NA +MJ050078 Hirundigenin; 2?-Hydroxy C21H30O6 378.204238 NA MeJP NA NA +MJ050079 Humulinone C21H30O6 378.204238 NA MeJP NA NA +MJ050080 Isohumulinone A C21H30O6 378.204238 NA MeJP NA NA +MJ050081 Javanicin L; 16-Ketone C21H30O6 378.204238 NA MeJP NA NA +MJ050082 Nigakihemiacetal C; 12-Ketone C21H30O6 378.204238 NA MeJP NA NA +MJ050083 Nigakilactone A C21H30O6 378.204238 NA MeJP NA NA +MJ050084 Sinapyl alcohol, 1,4'-Di-O-(3-methylbutanoyl) C21H30O6 378.204238 NA MeJP NA NA +MJ050085 Sinapyl alcohol, 4'-O-(6-Hydroperoxy-3,7-dimethyl-2,7-octadienyl)(E-) C21H30O6 378.204238 NA MeJP NA NA +MJ050086 Sinapyl alcohol, 4'-O-(7-Hydroperoxy-3,7-dimethyl-2,5-octadienyl)(E,E-) C21H30O6 378.204238 NA MeJP NA NA +MJ050087 Sugetriol; Tri-Ac C21H30O6 378.204238 NA MeJP NA NA +HMDB00418 18-Hydroxycortisol C21H30O6 378.20425 http://www.hmdb.ca/metabolites/HMDB00418 PFEM_hmdb_metabocards_urine NA urine +HMDB00418 18-Hydroxycortisol C21H30O6 378.20425 http://www.hmdb.ca/metabolites/HMDB00418 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00418 18-Hydroxycortisol C21H30O6 378.20425 http://www.hmdb.ca/metabolites/HMDB00418 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00418 18-Hydroxycortisol C21H30O6 378.20425 http://www.hmdb.ca/metabolites/HMDB00418 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00418 18-Hydroxycortisol C21H30O6 378.20425 http://www.hmdb.ca/metabolites/HMDB00418 HMDB NA NA +HMDB00418 18-Hydroxycortisol C21H30O6 378.20425 http://www.hmdb.ca/metabolites/HMDB00418 PFEM_hmdb_metabocards_blood NA blood +HMDB00418 18-Hydroxycortisol C21H30O6 378.20425 HMDB00418 PFEM_hmdb_metabocards_official NA NA +HMDB00418 18-Hydroxycortisol C21H30O6 378.204254 NA HMDB2010 NA NA +JH242 Oleuropein [M+H-glucopyranosyl]+ NA 378.2096 14.15 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH242 Oleuropein [M+H-glucopyranosyl]+ NA 378.2096 14.15 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH242 Oleuropein [M+H-glucopyranosyl]+ NA 378.2096 14.15 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH242 Oleuropein [M+H-glucopyranosyl]+ NA 378.2096 14.15 Inhousejuil11 NA NA +MJ050088 3,8,13-Trihydroxylupanine, 13-Angeloyl C20H30N2O5 378.215472 NA MeJP NA NA +MJ050089 1,19-Diisothiocyanato-1,18-nonadecadiene C21H34N2S2 378.21634 NA MeJP NA NA +MJ050090 6'-Oxo-6,6'-diapo-6-carotenoic acid, Me ester C25H30O3 378.219494 NA MeJP NA NA +MJ050091 8-Hydroxy-3-(10-phenyldecyl)-1H-2-benzopyran-1-one C25H30O3 378.219494 NA MeJP NA NA +MJ050092 Isotriptiliocoumarin C25H30O3 378.219494 NA MeJP NA NA +MJ050093 Nassauviachromone C25H30O3 378.219494 NA MeJP NA NA +MJ050094 Triptiliocoumarin C25H30O3 378.219494 NA MeJP NA NA +C15000 17beta-(Benzoyloxy)-B-norandrost-4-en-3-one C25H30O3 378.2195 NA KEGG NA NA +C15171 17beta-Hydroxyestr-4-en-3-one benzoate C25H30O3 378.2195 NA KEGG NA NA +C15644 GW 0791 C25H30O3 378.2195 NA KEGG NA NA +C15645 1-(1-Alkenyl)-sn-glycerol C5H9O3R 378.2195 NA KEGG NA NA +C15646 1-(1-Alkenyl)-sn-glycero-3-phosphate C5H10O6PR 378.2195 NA KEGG NA NA +C15647 2-Acyl-1-(1-alkenyl)-sn-glycero-3-phosphate C6H9O7PR2 378.2195 NA KEGG NA NA +C15320 21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione C22H31FO4 378.2206 NA KEGG NA NA +MJ050095 Desmethylmoramide C24H30N2O2 378.230728 NA MeJP NA NA +MJ050096 Doxapram C24H30N2O2 378.230728 NA MeJP NA NA +EUR511 9-HODE F3 F3 378.238325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR511 9-HODE F3 NA 378.238325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR511 9-HODE F3 F3 378.238325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR511 9-HODE F3 NA 378.238325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR511 9-HODE F3 F3 378.238325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR511 9-HODE F3 NA 378.238325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR511 9-HODE F3 F3 378.238325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR511 9-HODE F3 F3 378.238325 standards wishlist analysés sur QTOF HMDB NA NA +EUR511 9-HODE F3 F3 378.238325 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR511 9-HODE F3 NA 378.238325 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR511 9-HODE F3 F3 378.238325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR511 9-HODE F3 F3 378.238325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR524 12,13-EPOME F3 F3 378.239325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR524 12,13-EPOME F3 NA 378.239325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR524 12,13-EPOME F3 F3 378.239325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR524 12,13-EPOME F3 NA 378.239325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR524 12,13-EPOME F3 F3 378.239325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR524 12,13-EPOME F3 NA 378.239325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR524 12,13-EPOME F3 F3 378.239325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR524 12,13-EPOME F3 F3 378.239325 standards wishlist analysés sur QTOF HMDB NA NA +EUR524 12,13-EPOME F3 F3 378.239325 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR524 12,13-EPOME F3 NA 378.239325 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR524 12,13-EPOME F3 F3 378.239325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR524 12,13-EPOME F3 F3 378.239325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C09169 Pleuromutilin C22H34O5 378.2406 NA KEGG NA NA +C10320 Cornudentanone C22H34O5 378.2406 NA KEGG NA NA +C13818 F4-Neuroprostane (4-series) C22H34O5 378.2406 NA KEGG NA NA +C13819 F4-Neuroprostane (7-series) C22H34O5 378.2406 NA KEGG NA NA +MJ050097 1(15),8-Dolastadiene-4,7,10,14-tetrol, 7-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050098 12,13,14-Trihydroxy-4,7,10,16,19-docosapentaenoic acid C22H34O5 378.240624 NA MeJP NA NA +MJ050099 13,16-Spatadiene-5,15,18,19-tetrol, 19-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050100 13,17-Dihydroxy-2,18-sphenolobadien-4-one; 2?,3?-Epoxide, 17-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050101 13,17-Spatadiene-5,15,16,19-tetrol, 19-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050102 15-Beyerene-3,7,14,18-tetrol, 7-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050103 15-Hydroxy-7-oxo-5-halimen-18-oic acid, Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050104 15-Kaurene-3,6,7,18-tetrol, 18-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050105 15-Kaurene-3,6,7,18-tetrol, 3-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050106 15-Kaurene-3,7,18-triol, 15?,16?-Epoxide, 3-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050107 15-Kaurene-3,7,18-triol, 15?,16?-Epoxide, 18-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050108 16,17,19-Kauranetriol, 19-Carboxylic acid, 17-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050109 16,18-Dihydroxy-3,13-clerodadien-15-oic acid, 16-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050110 16,19-Dihydroxy-8(17),13-labdadien-15-oic acid, 16-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050111 16-Kaurene-3,7,15,18-tetrol, 18-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050112 16-Kaurene-3,7,15,18-tetrol, 3-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050113 2,10(18),14-Prenylguaiatriene-4,6,9,12-tetrol, 12-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050114 2,15-Dihydroxy-1(10)-halimen-18-oic acid, 2-Ketone, 15-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050115 2,16-Dihydroxy-8(17),13-labdadien-15-oic acid, 16-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050116 2,5,8-Presilphiperfolanetriol, 2-O-Angeloyl, 5-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050117 2,5-Dihydroxy-3-methyl-6-tridecyl-1,4-benzoquinone; 2-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050118 2,5-Dihydroxy-3-methyl-6-tridecyl-1,4-benzoquinone; 5-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050119 2,6,10,14-Phytatetraene-1,18,19-triol, 19-Carboxylic acid, 1-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050120 2,7-Dihydroxy-3,13-clerodadien-15-oic acid, 7-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050121 2,9:3,16-Diepoxy-11-hydroxy-4-asbestinanone, Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050122 2,9:3,16-Diepoxy-7(19)-asbestinene-4,11-diol, 11-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050123 2,9:3,16-Diepoxy-7(19)-asbestinene-6,11-diol, 11-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050124 2-Hydroxy-6-tridecyl-1,4-benzoquinone; 2'-Acetoxy, Me ether C22H34O5 378.240624 NA MeJP NA NA +MJ050125 3(16)-Fusicoccene-4,8,9,14,18-pentol, 18-Deoxy, 4-ketone, 8-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050126 3,10(18),13-Prenylguaiatriene-6,9,12,15-tetrol, 12-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050127 3,13-Clerodadiene-15,16,17-triol, 17-Carboxylic acid, 15-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050128 3,14,17,21-Tetrahydroxypregn-5-en-20-one, 21-Me ether C22H34O5 378.240624 NA MeJP NA NA +MJ050129 3,19-Dihydroxy-7-labden-15-oic acid, 13E,14-Didehydro, 19-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050130 3,19-Dihydroxy-7-labden-15-oic acid, 13E,14-Didehydro, 3-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050131 3,4-Dihydro-8-hydroxy-3,6-dimethoxy-3-undecyl-1H-2-benzopyran-1-one C22H34O5 378.240624 NA MeJP NA NA +MJ050132 3,7-Dihydroxy-13-labden-15,12-olide, 7-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050133 3,7-Dihydroxy-4(18),13-clerodadien-15-oic acid, 7-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050134 3,7-Dolabelladiene-6,12-diol, 16-Oxo, 3S,4S-epoxide, 6-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050135 4(17),10(18),14-Prenylguaiatriene-3,6,9,12-tetrol, 12-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050136 4(17),10(18),15-Prenylguaiatriene-6,9,12,14-tetrol, 12-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050137 4(20),11-Taxadiene-2,5,10,14-tetrol, 5-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050138 4,16-Dihydroxy-19-nor-17-kauranoic acid, 16-Ac, Me ester C22H34O5 378.240624 NA MeJP NA NA +MJ050139 4,18-Dihydroxy-1(9),6,13-xenicatrien-19-al; 6R,7R-Epoxide, 18-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050140 4,5-Epoxy-1(10)-germacrene-3,6-diol, 3-(3-Methyl-2-butenoyl), 6-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050141 4,5-Epoxy-1(10)-germacrene-3,6-diol, 3-Angeloyl, 6-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050142 4,5-Epoxy-1(10)-germacrene-3,6-diol, 3-Tigloyl, 6-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050143 4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-Angeloyl, 6-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050144 4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-O-(3-Methyl-2-butenoyl), 6-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050145 4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-Tigloyl, 6-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050146 4,9-Dihydroxy-10(14)-oplopen-3-one, 9-(3-Methylbutanoyl), 4-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050147 4-Acetoxy-6-(4-hydroxy-4-methyl-2-cyclohexenyl)-2-(4-methyl-3-pentenyl)-2-heptenoic acid C22H34O5 378.240624 NA MeJP NA NA +MJ050148 5-Tridecyl-1,3-benzenediol; 2'R-Acetoxy, 8'-oxo, 3-Me ether C22H34O5 378.240624 NA MeJP NA NA +MJ050149 6,13-Epoxy-3,8(19)-eunicelladiene-9,11,12-triol, 11-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050150 6,15,17-Trihydroxy-3-cleroden-18-oic acid, 18?6 Lactone, 17-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050151 6,16-Dihydroxy-8(17),13-labdadien-15-oic acid, 16-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050152 6,18-Dihydroxy-3,13-clerodadien-15-oic acid, 15-Alcohol, 18-carboxylic acid, 6-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050153 6,9-Dihydroxy-13-labden-15,16-olide, 6-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050154 6-Hydroxy-7-oxo-8-labden-15-oic acid, 6-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050155 7,13-Labdadiene-15,16,17-triol, 15-Carboxylic acid, 16-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050156 7,15,16-Trihydroxy-3-erythroxylen-2-one, 7-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050157 7,15-Dihydroxy-16-spongianone, 7-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050158 7,15-Dihydroxy-8-labden-17-oic acid, 7-Ketone, 15-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050159 7,8:10,11-Diepoxy-4(16)-dolabellene-17,18-diol, 17-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050160 7-Hydroxy-3-oxo-4(19)-cleroden-15-oic acid, Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050161 8(14)-Pimarene-2,15,16,19-tetrol, 2-Ketone, 16-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050162 8(17),13-Labdadiene-2,7,15,19-tetrol, 15-Aldehyde, 19-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050163 8(17),13-Labdadiene-2,7,15,19-tetrol, 2-Ketone, 19-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050164 8(17),13-Labdadiene-3,15,19-triol, 19-Carboxylic acid, 3-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050165 8,13-Epoxy-6,7-dihydroxy-14-labden-11-one, 6-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050166 8,13-Epoxy-6,7-dihydroxy-14-labden-11-one, 7-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050167 8,14-Epoxy-4,8-dihydroxy-8,9-seco-1(15)-dolasten-9-one, 4-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050168 9,11,15-Trihydroxyprosta-5,13-dienoic acid, 11-Ac, 1,15-lactone C22H34O5 378.240624 NA MeJP NA NA +MJ050169 9,13-Epoxy-17-hydroxy-7-labden-15-oic acid, Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050170 9,13-Epoxy-18-hydroxy-7-labden-15-oic acid, 18-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050171 Acanthoaustralide; 1-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050172 Crenulacetal A; 18,19-Di-de-Me, 4-Ac, stereoisomer C22H34O5 378.240624 NA MeJP NA NA +MJ050173 Isoacanthoaustralide; 1-Ac C22H34O5 378.240624 NA MeJP NA NA +MJ050174 Pleuromutilin C22H34O5 378.240624 NA MeJP NA NA +MJ050175 Sarcodontic acid; 2,3-Dihydro C22H34O5 378.240624 NA MeJP NA NA +MJ050176 Seconorrlandin C C22H34O5 378.240624 NA MeJP NA NA +MJ050177 Shahamin E; 16-Ac C22H34O5 378.240624 NA MeJP NA NA +C13856 2-Arachidonoylglycerol C23H38O4 378.277 NA KEGG NA NA +C13857 1-Arachidonoylglycerol C23H38O4 378.277 NA KEGG NA NA +HMDB04666 2-Arachidonylglycerol C23H38O4 378.277008 NA HMDB2010 NA NA +HMDB11549 MG(0:0/20:4(8Z,11Z,14Z,17Z)/0:0) C23H38O4 378.277008 NA HMDB2010 NA NA +HMDB11578 MG(20:4(5Z,8Z,11Z,14Z)/0:0/0:0) C23H38O4 378.277008 NA HMDB2010 NA NA +HMDB11579 MG(20:4(8Z,11Z,14Z,17Z)/0:0/0:0) C23H38O4 378.277008 NA HMDB2010 NA NA +MJ050178 1,2-Dihydroxy-5,12,15-heneicosatrien-4-one, 1-Ac C23H38O4 378.277009 NA MeJP NA NA +MJ050179 12-Isocopalen-15-oic acid; 14à H-form, 2,3-Dihydroxypropyl ester C23H38O4 378.277009 NA MeJP NA NA +MJ050180 3,5-Dimethyl-5-(7,9,12-pentadecatrienyl)-1,2-dioxolane-3-acetic acid, Me ester C23H38O4 378.277009 NA MeJP NA NA +MJ050181 3-(3,4-Dihydroxyphenyl)-1-propanol; 1-O-Tetradecanoyl C23H38O4 378.277009 NA MeJP NA NA +MJ050182 3-Heptadecyl-2,5-dihydroxybenzoquinone C23H38O4 378.277009 NA MeJP NA NA +MJ050183 7-Labdene-15,17-diol, 17-Carboxylic acid, 15-Ac, Me ester C23H38O4 378.277009 NA MeJP NA NA +MJ050184 8(14)-Pimarene-2,15,16,19-tetrol, 15,16-Isopropylidene C23H38O4 378.277009 NA MeJP NA NA +MJ050185 8(17)-Labdene-7,15-diol, 15-Carboxylic acid, Ac, Me ester C23H38O4 378.277009 NA MeJP NA NA +MJ050186 Glycerol 2-alkanoates; Glycerol 2-(5Z,8Z,11Z,14Z-eicosatetraenoate) C23H38O4 378.277009 NA MeJP NA NA +MJ050187 Meteneprost C23H38O4 378.277009 NA MeJP NA NA +MJ050188 Plakinic acid F C23H38O4 378.277009 NA MeJP NA NA +MJ050189 Trimoprostil C23H38O4 378.277009 NA MeJP NA NA +HMDB04666 2-Arachidonylglycerol C23H38O4 378.27701 http://www.hmdb.ca/metabolites/HMDB04666 HMDB NA NA +HMDB04666 2-Arachidonylglycerol C23H38O4 378.27701 HMDB04666 PFEM_hmdb_metabocards_official NA NA +MJ050190 10'-Apo-?-caroten-10'-ol C27H38O 378.292265 NA MeJP NA NA +MJ050191 Cholesta-4,6,8(14),22-tetraen-3-one C27H38O 378.292265 NA MeJP NA NA +MJ050192 24,25-Dinor-1,3,5(10)-lupatriene C28H42 378.328651 NA MeJP NA NA +MJ050193 28,30-Dinor-17,19,21-gammaceratriene C28H42 378.328651 NA MeJP NA NA +MJ050194 16-Pentacosene-2,4-dione C25H46O2 378.34978 NA MeJP NA NA +MJ050195 23-Methyl-5,9-tetracosadienoic acid C25H46O2 378.34978 NA MeJP NA NA +MJ050196 19-Hexacosenal C26H50O 378.386166 NA MeJP NA NA +MJ050197 1-Heptacosene C27H54 378.422551 NA MeJP NA NA +MJ050198 9-Heptacosene C27H54 378.422551 NA MeJP NA NA +3592 NA YPFGFE~ 378.665 MH2+ Inhouse_peptide NA peptide +3698 NA YPFGFAG 378.665 MH2+ Inhouse_peptide NA peptide +MJ050199 2,3,4,5-Tetrabromo-1H-pyrrole C4HBr4N 378.684249 NA MeJP NA NA +MJ050200 Clorsulon C8H8Cl3N3O4S2 378.90218 NA MeJP NA NA +MJ050201 Trichlormethiazide C8H8Cl3N3O4S2 378.90218 NA MeJP NA NA +C07767 Trichlormethiazide C8H8Cl3N3O4S2 378.9022 NA KEGG NA NA +MJ050202 2-Amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid, N,N,N-Tri-Me, betaine C12H15Br2NO3 378.941868 NA MeJP NA NA +MJ050203 Convolutamine A; 4-Debromo C13H19Br2NO2 378.978254 NA MeJP NA NA +MJ050204 Psammaplin C C11H14BrN3O5S 378.983753 NA MeJP NA NA +MJ050205 Alteconazole C17H12Cl3N3O 379.004595 NA MeJP NA NA +MJ050206 Dichloro(1,2-cyclohexanediamine-N,N')platinum C6H14Cl2N2Pt 379.018178 NA MeJP NA NA +C16619 6-Thioguanosine monophosphate C10H14N5O7PS 379.0352 NA KEGG NA NA +C12252 2-Bromo-5-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-N- C17H18BrNO4 379.0419 NA KEGG NA NA +MJ050207 Cyclopenthiazide C13H18ClN3O4S2 379.042725 NA MeJP NA NA +MJ050208 2,3,4,5-Tetrahydro-8-iodo-3-methyl-5-phenyl-1H-3-benzazepin-7-ol C17H18INO 379.043307 NA MeJP NA NA +MJ050209 Ulbactin D C16H17N3O2S3 379.048288 NA MeJP NA NA +MJ050210 2-[[[(4-Chlorophenyl)sulfonyl]amino]methyl]-2,3-dihydro-1H-indene-5-acetic acid C18H18ClNO4S 379.064506 NA MeJP NA NA +C11594 E3040 sulfate C16H17N3O4S2 379.066 NA KEGG NA NA +MJ050211 Griseolic acid C14H13N5O8 379.076412 NA MeJP NA NA +C14626 2'-Carboxy-4-[bis(2-chloroethyl)amino]-2-methylazobenzene C18H19Cl2N3O2 379.0854 NA KEGG NA NA +C03451 (R)-S-Lactoylglutathione C13H21N3O8S 379.1049 NA KEGG NA NA +PJ000691 CEE C13H21N3O8S 379.1049 NA PeJP NA NA +MJ050212 (R)-S-Lactoylglutathione C13H21N3O8S 379.104935 NA MeJP NA NA +MetaCyc03268 S-lactoyl-glutathione [S-D-lactoylglutathione;D-lactoylglutathione;(R)-S-lactoylglutathione;] C13H21N3O8S1 379.104935 25138-66-3 metacyc NA NA +HMDB01066 S-Lactoylglutathione C13H21N3O8S 379.10495 http://www.hmdb.ca/metabolites/HMDB01066 HMDB NA NA +HMDB01066 S-Lactoylglutathione C13H21N3O8S 379.10495 HMDB01066 PFEM_hmdb_metabocards_official NA NA +HMDB01066 S-Lactoylglutathione C13H21N3O8S 379.10495 NA HMDB2010 NA NA +PJ000692 DDM C13H21N3O8S 379.105 NA PeJP NA NA +MJ050213 Dehydropuntarenine C21H17NO6 379.105587 NA MeJP NA NA +MJ050214 Dihydrochelirubine; 5-Hydroxy C21H17NO6 379.105587 NA MeJP NA NA +MJ050215 12-Hydroxychelirubine C21H17NO6 379.105587 NA MeJP NA NA +MetaCyc03269 12-hydroxydihydrochelirubine [] C21H17N1O6 379.105587 NA metacyc NA NA +C05193 12-Hydroxydihydrochelirubine C21H17NO6 379.1056 NA KEGG NA NA +HMDB00629 Chondroitin C14H21NO11 379.11145 http://www.hmdb.ca/metabolites/HMDB00629 HMDB NA NA +HMDB00629 Chondroitin C14H21NO11 379.11145 HMDB00629 PFEM_hmdb_metabocards_official NA NA +HMDB00629 Chondroitin C14H21NO11 379.11145 NA HMDB2010 NA NA +MJ050216 Hyaluronic acid C14H21NO11 379.11146 NA MeJP NA NA +MetaCyc03270 3-(4-deoxy-β-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine [] C14H21N1O11 379.111461 NA metacyc NA NA +MetaCyc03271 4-deoxy-β-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine [] C14H21N1O11 379.111461 NA metacyc NA NA +C01310 4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine C14H21NO11 379.1115 NA KEGG NA NA +C01311 1,4-beta-D-Galactosyl-(alpha-1,3-L-fucosyl)-N-acetyl-D-glucosaminyl- C20H34NO15R 379.1115 NA KEGG NA NA +C04794 3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine C14H21NO11 379.1115 NA KEGG NA NA +PJ000693 GSCN C12H21N5O7S 379.1162 NA PeJP NA NA +MJ050217 Senacarcin A; O-Deacyl C20H17N3O5 379.11682 NA MeJP NA NA +MJ050218 Karnamicin C4 C17H21N3O5S 379.120191 NA MeJP NA NA +MJ050219 Karnamicin D2 C17H21N3O5S 379.120191 NA MeJP NA NA +MJ050220 Karnamicin D4 C17H21N3O5S 379.120191 NA MeJP NA NA +MJ050221 Maremycin A; 3'-Epimer, S-oxide(R-) C17H21N3O5S 379.120191 NA MeJP NA NA +MJ050222 Maremycin A; 3'-Epimer, S-oxide(S-) C17H21N3O5S 379.120191 NA MeJP NA NA +MJ050223 Fluotrimazole C22H16F3N3 379.129632 NA MeJP NA NA +MJ050224 Benzomalvin B C24H17N3O2 379.132076 NA MeJP NA NA +MJ050225 6-(4-Chlorophenyl)-2,3-dihydro-2,2-dimethyl-7-phenyl-1H-pyrrolizine-5-acetic acid C23H22ClNO2 379.133906 NA MeJP NA NA +PJ000694 TEM C14H25N3O7S 379.1413 NA PeJP NA NA +MJ050226 8-Hydroxydihydrochelerythrine; Me ether C22H21NO5 379.141972 NA MeJP NA NA +MJ050227 8-Hydroxymethyldihydronitidine C22H21NO5 379.141972 NA MeJP NA NA +MJ050228 Bocconoline C22H21NO5 379.141972 NA MeJP NA NA +MJ050229 Dihydrochelerythrine; 5-Methoxy C22H21NO5 379.141972 NA MeJP NA NA +MJ050230 Dihydrochelilutine C22H21NO5 379.141972 NA MeJP NA NA +MJ050231 Dihydronitidine; 8-Methoxy C22H21NO5 379.141972 NA MeJP NA NA +MJ050232 Reframidine, 15-(2-Oxopropyl) C22H21NO5 379.141972 NA MeJP NA NA +MJ050233 Thaliglucinone; N-Me C22H22NO5(+) 379.141972 NA MeJP NA NA +C09336 Angoline C22H21NO5 379.142 NA KEGG NA NA +C12224 N-Methyl-2,3,7,8-tetramethoxybenzophenanthridine-6(5H)-one C22H21NO5 379.142 NA KEGG NA NA +7922 synthetic peptide SHH 379.148 antioxidative Inhouse_peptide NA peptide +MJ050234 Cyclotryprostatin A; Demethoxy, 12-epimer, 13-ketone C21H21N3O4 379.153206 NA MeJP NA NA +MJ050235 Lyalidine; 19,20-Dihydro, 19-hydroxy C21H21N3O4 379.153206 NA MeJP NA NA +MJ050236 Scaevodimerine A; 1,2,4a,7a-Tetradehydro C21H21N3O4 379.153206 NA MeJP NA NA +MJ050237 2,3-Diaminopropanoic acid, Nitrile, N2-?-L-arabinosyl, N3-?-D-glucopyranoside C14H25N3O9 379.159079 NA MeJP NA NA +MJ050238 Kasugamycin C14H25N3O9 379.159079 NA MeJP NA NA +C17968 Kasugamycin C14H25N3O9 379.1591 NA KEGG NA NA +PJ000695 VMM C15H29N3O4S2 379.16 NA PeJP NA NA +PJ000696 SHH C15H21N7O5 379.1604 NA PeJP NA NA +MJ050239 Sinefungin; 4,5-Didehydro C15H21N7O5 379.160416 NA MeJP NA NA +MJ050240 Retusamine C19H25NO7 379.163102 NA MeJP NA NA +MJ050241 Balaperidone C22H22FN3O2 379.169605 NA MeJP NA NA +MJ050242 Droperidol C22H22FN3O2 379.169605 NA MeJP NA NA +PJ000697 PTY C18H25N3O6 379.1743 NA PeJP NA NA +MJ050243 Cathestatin C C18H25N3O6 379.174335 NA MeJP NA NA +PJ000698 VDF C18H25N3O6 379.1744 NA PeJP NA NA +MJ050244 Guanylpirenzepine C19H21N7O2 379.175672 NA MeJP NA NA +MJ050245 14-Hydroxyantofine C23H25NO4 379.178358 NA MeJP NA NA +MJ050246 4-Hydroxy-3,6,7-trimethoxyphenanthroindolizidine C23H25NO4 379.178358 NA MeJP NA NA +MJ050247 Antofine, N-Oxide(?-) C23H25NO4 379.178358 NA MeJP NA NA +MJ050248 Antofine, N-Oxide(?-) C23H25NO4 379.178358 NA MeJP NA NA +MJ050249 Atalaphyllidine C23H25NO4 379.178358 NA MeJP NA NA +MJ050250 Atalaphylline C23H25NO4 379.178358 NA MeJP NA NA +MJ050251 Dioncophylline A; 1''-Hydroxy, O5-de-Me C23H25NO4 379.178358 NA MeJP NA NA +MJ050252 Dioncophyllinol B C23H25NO4 379.178358 NA MeJP NA NA +MJ050253 Isotylocrebrine, 3-O-De-Me C23H25NO4 379.178358 NA MeJP NA NA +MJ050254 Korupensamine A C23H25NO4 379.178358 NA MeJP NA NA +MJ050255 Phenoxan C23H25NO4 379.178358 NA MeJP NA NA +MJ050256 Tyloindicine C C23H25NO4 379.178358 NA MeJP NA NA +MJ050257 Tyloindicine H C23H25NO4 379.178358 NA MeJP NA NA +MJ050258 Tylophorine, O-De-Me C23H25NO4 379.178358 NA MeJP NA NA +MJ050259 Tylophorine, O7-De-Me C23H25NO4 379.178358 NA MeJP NA NA +MJ050260 Tylophorinine C23H25NO4 379.178358 NA MeJP NA NA +C10645 Atalaphylline C23H25NO4 379.1784 NA KEGG NA NA +C12338 Korupensamine A C23H25NO4 379.1784 NA KEGG NA NA +C12339 Dioncopeltine A C23H25NO4 379.1784 NA KEGG NA NA +C12341 Dioncophyllinol B C23H25NO4 379.1784 NA KEGG NA NA +MJ050261 Fumitremorgin C; Natural-form C22H25N3O3 379.189591 NA MeJP NA NA +MJ050262 Niravoline C22H25N3O3 379.189591 NA MeJP NA NA +MJ050263 Nor-C-fluorocurarine, 12-Hydroxy, 11-methoxy, imine, N-Ac C22H25N3O3 379.189591 NA MeJP NA NA +MJ050264 Spiroxatrine C22H25N3O3 379.189591 NA MeJP NA NA +7638 ACE inhibitor from tuna muscles LTF 379.199 antioxidative Inhouse_peptide NA peptide +MJ050265 Bulgarsenine; O-Ac C20H29NO6 379.199487 NA MeJP NA NA +MJ050266 Schizanthine A C20H29NO6 379.199487 NA MeJP NA NA +MJ050267 Schizanthine G; 2'Z-Isomer, Et ester analogue C20H29NO6 379.199487 NA MeJP NA NA +MJ050268 Schizanthine G; ?2'',3''-Isomer, Et ester analogue C20H29NO6 379.199487 NA MeJP NA NA +MJ050269 Schizanthine G; Et ester analogue C20H29NO6 379.199487 NA MeJP NA NA +MJ050270 Atevirdine C21H25N5O2 379.200825 NA MeJP NA NA +MJ050271 Icotidine C21H25N5O2 379.200825 NA MeJP NA NA +MJ050272 Niprofazone C21H25N5O2 379.200825 NA MeJP NA NA +MJ050273 4-Amino-N-(9-butyl-9-azabicyclo[3.3.1]non-3-yl)-5-chloro-2-methoxybenzamide C20H30ClN3O2 379.202654 NA MeJP NA NA +MJ050274 Laurcetium(1+); Bromide C18H38BrNO2 379.208592 NA MeJP NA NA +PJ000699 VVY C19H29N3O5 379.2107 NA PeJP NA NA +MJ050275 Donepezil C24H29NO3 379.214743 NA MeJP NA NA +MJ050276 Julandine C24H29NO3 379.214743 NA MeJP NA NA +HMDB05041 Donepezil C24H29NO3 379.21475 http://www.hmdb.ca/metabolites/HMDB05041 HMDB NA NA +HMDB05041 Donepezil C24H29NO3 379.21475 HMDB05041 PFEM_hmdb_metabocards_official NA NA +HMDB05041 Donepezil C24H29NO3 379.214752 NA HMDB2010 NA NA +MJ050277 Antibiotic R 39SF C23H29N3O2 379.225977 NA MeJP NA NA +MJ050278 Celabenzine; Natural-form C23H29N3O2 379.225977 NA MeJP NA NA +MJ050279 Etomidoline C23H29N3O2 379.225977 NA MeJP NA NA +MJ050280 Oxypertine C23H29N3O2 379.225977 NA MeJP NA NA +C10578 Celabenzine C23H29N3O2 379.226 NA KEGG NA NA +MJ050281 Antibiotic Ro 09-1547; 4-Me ether, 3-O-(acetamidoacetyl) C21H33NO5 379.235873 NA MeJP NA NA +MJ050282 Celiprolol C20H33N3O4 379.247106 NA MeJP NA NA +HMDB00277 Sphingosine 1-phosphate C18H38NO5P 379.248749 NA HMDB2010 NA NA +HMDB00277 Sphingosine 1-phosphate C18H38NO5P 379.24875 http://www.hmdb.ca/metabolites/HMDB00277 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00277 Sphingosine 1-phosphate C18H38NO5P 379.24875 http://www.hmdb.ca/metabolites/HMDB00277 HMDB NA NA +HMDB00277 Sphingosine 1-phosphate C18H38NO5P 379.24875 http://www.hmdb.ca/metabolites/HMDB00277 PFEM_hmdb_metabocards_blood NA blood +HMDB00277 Sphingosine 1-phosphate C18H38NO5P 379.24875 HMDB00277 PFEM_hmdb_metabocards_official NA NA +MJ050283 Sphingosine 1-phosphate C18H38NO5P 379.248759 NA MeJP NA NA +C06124 Sphingosine 1-phosphate C18H38NO5P 379.2488 NA KEGG NA NA +C06125 Sulfatide C25H46NO11SR 379.2488 NA KEGG NA NA +C06126 Digalactosylceramide C31H56NO13R 379.2488 NA KEGG NA NA +C06127 Digalactosylceramidesulfate C31H56NO16SR 379.2488 NA KEGG NA NA +C06128 GM4 C36H63N2O16R 379.2488 NA KEGG NA NA +C06129 Ceramidepentasaccharide C36H63N2O16R 379.2488 NA KEGG NA NA +C06130 Gal-alpha1->3(Fuc-alpha1->2)Gal-beta1->3GlcNAc-beta1->3LacCer C57H99N2O32R 379.2488 NA KEGG NA NA +C06131 Fuc-alpha1->2Gal-beta1->3GlcNAc-beta1->3Gal-beta1->4Glc-beta1-1'Cer C51H89N2O27R 379.2488 NA KEGG NA NA +C06132 Type A glycolipid C59H102N3O32R 379.2488 NA KEGG NA NA +C06133 GD3 C53H90N3O29R 379.2488 NA KEGG NA NA +C06134 GD2 C61H103N4O34R 379.2488 NA KEGG NA NA +C06135 GA2 C39H69N2O18R 379.2488 NA KEGG NA NA +C06136 GA1 C45H79N2O23R 379.2488 NA KEGG NA NA +C06138 GT1a C78H130N5O47R 379.2488 NA KEGG NA NA +C06139 GQ1 C89H147N6O55R 379.2488 NA KEGG NA NA +C06140 GT1b C78H130N5O47R 379.2488 NA KEGG NA NA +C06141 GD1b C67H113N4O39R 379.2488 NA KEGG NA NA +MJ050284 3-Greenwayodendrinol, Ac C25H33NO2 379.251129 NA MeJP NA NA +MJ050285 Aurachin B C25H33NO2 379.251129 NA MeJP NA NA +MJ050286 Aurachin D; N-Hydroxy C25H33NO2 379.251129 NA MeJP NA NA +MJ050287 Crobenetine C25H33NO2 379.251129 NA MeJP NA NA +MJ050288 Nonabine C25H33NO2 379.251129 NA MeJP NA NA +MJ050289 Polyavolensinol; Ac C25H33NO2 379.251129 NA MeJP NA NA +HMDB02304 Leukotriene B4 ethanolamide C22H37NO4 379.272247 NA HMDB2010 NA NA +HMDB02304 Leukotriene B4 ethanolamide C22H37NO4 379.27225 http://www.hmdb.ca/metabolites/HMDB02304 HMDB NA NA +HMDB02304 Leukotriene B4 ethanolamide C22H37NO4 379.27225 HMDB02304 PFEM_hmdb_metabocards_official NA NA +MJ050290 2-(Aminomethyl)-2-propenoic acid; N-(13-Octadecenoyl), Me ester C23H41NO3 379.308644 NA MeJP NA NA +MJ050291 3,5-Solanidadiene C27H41N 379.3239 NA MeJP NA NA +MJ050292 Isooncinotine C23H45N3O 379.356263 NA MeJP NA NA +MJ050293 N',N'',N''-Trimethyl-N-(3-methyl-2,4-dodecadienoyl)spermidine C23H45N3O 379.356263 NA MeJP NA NA +MJ050294 Neooncinotine; Natural-form C23H45N3O 379.356263 NA MeJP NA NA +MJ050295 Oncinotine C23H45N3O 379.356263 NA MeJP NA NA +3635 NA YPFGFM~ 379.6642 MH2+ Inhouse_peptide NA peptide +2800 peptide toxic from alpha-gliadin QQPYPQ 379.6705 MH2+ Inhouse_peptide NA peptide +MJ050296 4,6-Dibromo-3,7-dichloro-1,2-epoxy-3,7-dimethyloctane C10H16Br2Cl2O 379.894495 NA MeJP NA NA +MJ050297 4,7-Dibromo-3,6-dichloro-1,2-epoxy-3,7-dimethyloctane C10H16Br2Cl2O 379.894495 NA MeJP NA NA +MJ050298 7,9-Dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4,5]deca-2,6,8-triene-3-carboxylic acid, Amide C10H10Br2N2O4 379.900732 NA MeJP NA NA +MJ050299 6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoate C14H8Cl4O4 379.917669 NA MeJP NA NA +C06645 6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E- C14H8Cl4O4 379.9177 NA KEGG NA NA +CJneg0570 pyrocatechol sulfate isomer [(2M-H)]- C12H11O10S2 379.987725 C18rt(min)=4.88 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0570 pyrocatechol sulfate isomer [(2M-H)]- C12H11O10S2 379.987725 C18rt(min)=4.88 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ050300 Bermudenynol C15H19BrCl2O2 379.994547 NA MeJP NA NA +MJ050301 Palmarumycin C7; 5-Ketone C20H9ClO6 380.008765 NA MeJP NA NA +C16618 6-Thioxanthine 5'-monophosphate C10H13N4O8PS 380.0192 NA KEGG NA NA +FL3FADNSS001 Luteolin 3'-methyl ether 7-sulfate C16H12O9S 380.0202 60048-90-0 knapsack NA NA +FL3FAENSS001 Luteolin 4'-methyl ether 7-sulfate C16H12O9S 380.0202 60048-91-1 knapsack NA NA +FL3FAENSS002 Luteolin 4'-methyl ether 3'-sulfate C16H12O9S 380.0202 59176-63-5 knapsack NA NA +FL3FEANSS001 Hispidulin 7-sulfate C16H12O9S 380.0202 110209-96-6 knapsack NA NA +FL3FEANSS002 Hispidulin 4'-sulfate C16H12O9S 380.0202 111534-78-2 knapsack NA NA +FL5FABNSS001 Kaempferide 3-O-sulfate C16H12O9S 380.0202 130827-47-3 knapsack NA NA +FL5FCANSS001 Rhamnocitrin 3-O-sulfate C16H12O9S 380.0202 60889-06-7 knapsack NA NA +MJ050302 3',5,7-Trihydroxy-4'-methoxyflavone; 3'-Sulfate C16H12O9S 380.020202 NA MeJP NA NA +MJ050303 3',5,7-Trihydroxy-4'-methoxyflavone; 7-Sulfate C16H12O9S 380.020202 NA MeJP NA NA +MJ050304 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-Sulfate C16H12O9S 380.020202 NA MeJP NA NA +MJ050305 3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-Sulfate C16H12O9S 380.020202 NA MeJP NA NA +MJ050306 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-Sulfate C16H12O9S 380.020202 NA MeJP NA NA +MJ050307 4',5,7-Trihydroxy-6-methoxyflavone; 4'-O-Sulfate C16H12O9S 380.020202 NA MeJP NA NA +MJ050308 4',5,7-Trihydroxy-6-methoxyflavone; 7-O-Sulfate C16H12O9S 380.020202 NA MeJP NA NA +MJ050309 Econazole C18H15Cl3N2O 380.024996 NA MeJP NA NA +MJ050310 Orconazole C18H15Cl3N2O 380.024996 NA MeJP NA NA +C08068 Econazole C18H15Cl3N2O 380.025 NA KEGG NA NA +MJ050311 Maldoxin C17H13ClO8 380.029895 NA MeJP NA NA +MJ050312 2-Chloroadenosine; 5'-O-Sulfamoyl C10H13ClN6O6S 380.03058 NA MeJP NA NA +C03312 Urate D-ribonucleotide C10H13N4O10P 380.0369 NA KEGG NA NA +MetaCyc03272 urate D-ribonucleotide [] C10H13N4O10P1 380.036929 NA metacyc NA NA +MetaCyc03273 quinolinate nucleotide [] C12H15N1O11P1 380.038272 NA metacyc NA NA +MJ050313 3,5-Dichloro-2,4-dihydroxy-6-methylbenzoic acid; 2-Me ether, 2,6-dideoxy-arabino-hexopyranosyl ester C15H18Cl2O7 380.042958 NA MeJP NA NA +HMDB02666 Thiamine monophosphate C12H18ClN4O4PS 380.04749 http://www.hmdb.ca/metabolites/HMDB02666 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02666 Thiamine monophosphate C12H18ClN4O4PS 380.04749 http://www.hmdb.ca/metabolites/HMDB02666 HMDB NA NA +HMDB02666 Thiamine monophosphate C12H18ClN4O4PS 380.04749 http://www.hmdb.ca/metabolites/HMDB02666 PFEM_hmdb_metabocards_blood NA blood +HMDB02666 Thiamine monophosphate C12H18ClN4O4PS 380.04749 HMDB02666 PFEM_hmdb_metabocards_official NA NA +MJ050314 Verongamine C15H17BrN4O3 380.048403 NA MeJP NA NA +C12368 Tetracenomycin D3 C20H12O8 380.0532 NA KEGG NA NA +MJ050315 1-(6-Hydroxy-4-oxo-4H-1-pyran-2-yl)-4,5,7-trihydroxy-2-methylanthraquinone C20H12O8 380.053217 NA MeJP NA NA +MJ050316 9-Acetyl-1,3,8,10,11-pentahydroxy-5,12-naphthacenedione C20H12O8 380.053217 NA MeJP NA NA +MJ050317 Antibiotic RF 3192C C20H12O8 380.053217 NA MeJP NA NA +MJ050318 Cycloleucomelone; 2-Ac C20H12O8 380.053217 NA MeJP NA NA +MJ050319 Cycloleucomelone; 8-Ac C20H12O8 380.053217 NA MeJP NA NA +MJ050320 Preussomerin A; 3'?-Hydroxy, 2',3'-dihydro, 1,1'-diketone C20H12O8 380.053217 NA MeJP NA NA +MJ050321 Tetracenomycin D3 C20H12O8 380.053217 NA MeJP NA NA +MJ050322 Lecanoric acid; 3-Chloro, 4-Me ether, Me ester C18H17ClO7 380.06628 NA MeJP NA NA +MJ050323 Obtusatic acid; 5-Chloro, O-de-Me, Me ester C18H17ClO7 380.06628 NA MeJP NA NA +MJ050324 Piclamilast C18H18Cl2N2O3 380.069447 NA MeJP NA NA +MJ050325 2',4,5,6,6'-Pentahydroxydiphenyl ether 2,4'-dicarboxylic acid; 4-Me ether, 1''-Et ester C17H16O10 380.074346 NA MeJP NA NA +MJ050326 4-Hydroxybenzyl alcohol; 4-Me ether, ?-O-(2-O-sulfo-?-D-glucopyranoside) C14H20O10S 380.077717 NA MeJP NA NA +C10559 Diphyllin C21H16O7 380.0896 NA KEGG NA NA +C12373 Tetracenomycin F1 methylester C21H16O7 380.0896 NA KEGG NA NA +MJ050327 3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4,5-Methylene, 3',4'-di-Me ether C21H16O7 380.089602 NA MeJP NA NA +MJ050328 3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4,5-Methylene, 3',7-di-Me ether C21H16O7 380.089602 NA MeJP NA NA +MJ050329 3,3',4,4',7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4'-Methylene, 3,7-di-Me ether C21H16O7 380.089602 NA MeJP NA NA +MJ050330 Antibiotic RF 3192A; 4'-Deoxy C21H16O7 380.089602 NA MeJP NA NA +MJ050331 Coumetarol C21H16O7 380.089602 NA MeJP NA NA +MJ050332 Dictyomedin A C21H16O7 380.089602 NA MeJP NA NA +MJ050333 Didymocalyxin C C21H16O7 380.089602 NA MeJP NA NA +MJ050334 Diphyllin C21H16O7 380.089602 NA MeJP NA NA +MJ050335 Hemsleyanol E C21H16O7 380.089602 NA MeJP NA NA +MJ050336 Parviflorol C21H16O7 380.089602 NA MeJP NA NA +C11190 Rhodamine 123 C21H17N2O3 380.0928 NA KEGG NA NA +CJneg0571 Hippuric acid [(2M-2H+Na)]- C18H16N2NaO6 380.099025 C18rt(min)=5.87 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0571 Hippuric acid [(2M-2H+Na)]- C18H16N2NaO6 380.099025 C18rt(min)=5.87 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C04572 S-(N-Hydroxy-N-methylcarbamoyl)glutathione C12H20N4O8S 380.1002 NA KEGG NA NA +PJ000700 GSCD C12H20N4O8S 380.1002 NA PeJP NA NA +C07177 Methicillin C17H20N2O6S 380.1042 NA KEGG NA NA +MJ050337 Meticillin C17H20N2O6S 380.104207 NA MeJP NA NA +MJ050338 Plumbemycin A; 3'-Amide C12H21N4O8P 380.1097 NA MeJP NA NA +MJ050339 5-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 5?,6?-Epoxide, 1'-benzoyl, 3,4-di-Ac C18H20O9 380.110732 NA MeJP NA NA +MJ050340 Chlorotrianisene C23H21ClO3 380.117922 NA MeJP NA NA +PJ000701 CQM C13H24N4O5S2 380.1188 NA PeJP NA NA +MJ050341 3-[(4-Hydroxyphenyl)methyl]-1,4-dimethyl-3,6-bis(methylthio)-2,5-piperazinedione; N,N-Di-de-Me, O-(3-methyl-2-butenyl) C18H24N2O3S2 380.122834 NA MeJP NA NA +FL1CBCNP0001 Glabrachromene I C22H20O6 380.12598 40958-05-2 knapsack NA NA +FL2F2CNP0001 Ovalichromene A C22H20O6 380.12598 62868-04-6 knapsack NA NA +FL2FBCNP0001 Isoglabrachromene C22H20O6 380.12598 138590-91-7 knapsack NA NA +FL3F2CNI0001 Millettocalyxin B;2-(1,3-Benzodioxol-5-yl)-7-methoxy-6-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one C22H20O6 380.12598 422308-56-3 knapsack NA NA +FL3FA9NP0007 Multijuginol;(7aR,10S,10aS)-rel-(+)-7a,9,10,10a-Tetrahydro-10-hydroxy-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one C22H20O6 380.12598 58276-83-8 knapsack NA NA +FL3FCCNP0001 Muxiangrin II;Muxiangrine II;5-Hydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-7-methoxy-6-methyl-4H-1-benzopyran-4-one C22H20O6 380.12598 223917-02-0 knapsack NA NA +FL5F2ANP0001 4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone C22H20O6 380.12598 157072-30-5 knapsack NA NA +FL5FDANF0002 Vellokaempferol 3,5-dimethyl ether C22H20O6 380.12598 148335-01-7 knapsack NA NA +FL5FDBNF0001 Vellokaempferol 3,4'-dimethyl ether C22H20O6 380.12598 - knapsack NA NA +FLIA1LNI0001 Maximaisoflavone C C22H20O6 380.12598 10489-51-7 knapsack NA NA +FLIA2CNI0001 Predurmillone;7-Hydroxy-6-methoxy-3',4'-methylenedioxy-8-prenylisoflavone C22H20O6 380.12598 130286-69-0 knapsack NA NA +FLIA3CNI0001 7-Prenyloxy-8-methoxy-3',4'-methylenedioxyisoflavone C22H20O6 380.12598 82345-37-7 knapsack NA NA +FLIEDANI0001 1-O-Methylglycyrol;5-O-Methylglycyrol;9-Hydroxy-1,3-dimethoxy-2-prenylcoumestan C22H20O6 380.12598 23013-85-6 knapsack NA NA +FLIHBBNP0001 Robustic acid C22H20O6 380.12598 5307-59-5 knapsack NA NA +MJ050342 1-(1,3-Benzodioxol-5-yl)-3-(5-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-1,3-propanedione; Diketo-form C22H20O6 380.125988 NA MeJP NA NA +MJ050343 2',4',5',7-Tetrahydroxyisoflavone; 4',5'-Methylene, 2'-Me ether, 7-O-(3-methyl-2-butenyl) C22H20O6 380.125988 NA MeJP NA NA +MJ050344 3',4',6,7-Tetrahydroxy-8-prenylisoflavone; 6-Me, 3',4'-methylene ether C22H20O6 380.125988 NA MeJP NA NA +MJ050345 3',4',7,8-Tetrahydroxyisoflavone; 3',4'-Methylene ether, 7-O-(3-methyl-2-butenyl), O8-Me C22H20O6 380.125988 NA MeJP NA NA +MJ050346 5-Hydroxy-2-phenyl-1,8-napthalenedicarboxylic acid; 4'-Methoxy, Me ether, di-Me ester C22H20O6 380.125988 NA MeJP NA NA +MJ050347 Abyssinoflavanone IV C22H20O6 380.125988 NA MeJP NA NA +MJ050348 Citrusinol; 3,6-Di-Me ether C22H20O6 380.125988 NA MeJP NA NA +MJ050349 Durallone; 6-De-O-Me C22H20O6 380.125988 NA MeJP NA NA +MJ050350 Glabrachromene I C22H20O6 380.125988 NA MeJP NA NA +MJ050351 Goniodiol; 5?-Hydroxy, 2'-O-cinnamoyl(E-) C22H20O6 380.125988 NA MeJP NA NA +MJ050352 Indicanin A C22H20O6 380.125988 NA MeJP NA NA +MJ050353 Isoglabrachromene C22H20O6 380.125988 NA MeJP NA NA +MJ050354 Multijuginol C22H20O6 380.125988 NA MeJP NA NA +MJ050355 Muxiangrine II C22H20O6 380.125988 NA MeJP NA NA +MJ050356 Ovalichromene A C22H20O6 380.125988 NA MeJP NA NA +MJ050357 Phyllamyricin B C22H20O6 380.125988 NA MeJP NA NA +MJ050358 Psoralidin; 1-Methoxy, 3-Me ether C22H20O6 380.125988 NA MeJP NA NA +MJ050359 Robustic acid C22H20O6 380.125988 NA MeJP NA NA +MJ050360 Vellokaempferol; 3,4'-Di-Me ether C22H20O6 380.125988 NA MeJP NA NA +MJ050361 Vellokaempferol; 3,5-Di-Me ether C22H20O6 380.125988 NA MeJP NA NA +C14612 Rubrophen C22H20O6 380.126 NA KEGG NA NA +C08358 2-Methoxyestrone 3-sulfate C19H24O6S 380.1294 NA KEGG NA NA +PJ000702 CCR C12H24N6O4S2 380.1301 NA PeJP NA NA +MJ050362 Biclotymol C21H26Cl2O2 380.130985 NA MeJP NA NA +MJ050363 Muralioside C15H24O11 380.131861 NA MeJP NA NA +MJ050364 Paulownioside C15H24O11 380.131861 NA MeJP NA NA +MJ050365 Scabrosidol C15H24O11 380.131861 NA MeJP NA NA +MJ050366 Sphaerococcenol A C20H29BrO2 380.135092 NA MeJP NA NA +PJ000703 GSSM C13H24N4O7S 380.1366 NA PeJP NA NA +MJ050367 Fumaramine C21H20N2O5 380.137221 NA MeJP NA NA +MJ050368 Kopsifine; De(methoxycarbonyl) C21H20N2O5 380.137221 NA MeJP NA NA +MJ050369 Amosulalol C18H24N2O5S 380.140592 NA MeJP NA NA +MJ050370 Antibiotic WS 75624A C18H24N2O5S 380.140592 NA MeJP NA NA +MJ050371 Antibiotic WS 75624B C18H24N2O5S 380.140592 NA MeJP NA NA +MJ050372 Apiosporamide C18H24N2O5S 380.140592 NA MeJP NA NA +MJ050373 Egtazic acid C14H24N2O10 380.143094 NA MeJP NA NA +MJ050374 Enkastine; Enkastine 6 C14H24N2O10 380.143094 NA MeJP NA NA +MetaCyc03274 EGTA [ethyleneglycol-bis-N,N'-tetraacetic acid;] C14H24N2O10 380.143095 NA metacyc NA NA +MJ050375 1,10:14,15-Diepoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 11?,13-Dihydro, 8-(2-hydroxymethylpropenoyl) C19H24O8 380.147117 NA MeJP NA NA +MJ050376 1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) C19H24O8 380.147117 NA MeJP NA NA +MJ050377 1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8,13-Di-Ac C19H24O8 380.147117 NA MeJP NA NA +MJ050378 1,3,13-Trihydroxy-4,7(11),10(14)-germacratrien-12,6-olide, 1-Hydroperoxide, 3,13-di-Ac C19H24O8 380.147117 NA MeJP NA NA +MJ050379 1,3,13-Trihydroxy-4,7(11),9-germacratrien-12,6-olide, 1-Hydroperoxide, 3,13-di-Ac C19H24O8 380.147117 NA MeJP NA NA +MJ050380 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 13-(2-Methylpropenoyl) C19H24O8 380.147117 NA MeJP NA NA +MJ050381 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-(Methylpropenoyl) C19H24O8 380.147117 NA MeJP NA NA +MJ050382 1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl) C19H24O8 380.147117 NA MeJP NA NA +MJ050383 10-Hydroxy-3,11-dodecadiene-6,8-diynoic acid, O-?-D-Glucopyranoside, Me ester C19H24O8 380.147117 NA MeJP NA NA +MJ050384 2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 2,9-Di-Ac C19H24O8 380.147117 NA MeJP NA NA +MJ050385 3,10-Epoxy-1,3,8,15-tetrahydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methyl-2-propenoyl) C19H24O8 380.147117 NA MeJP NA NA +MJ050386 3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl) C19H24O8 380.147117 NA MeJP NA NA +MJ050387 3,8,9,10-Tetrahydroxy-4,11(13)-guaiadien-12,6-olide, 8,9-Di-Ac C19H24O8 380.147117 NA MeJP NA NA +MJ050388 4,5,8,9-Tetrahydroxy-3-oxo-1(10),11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) C19H24O8 380.147117 NA MeJP NA NA +MJ050389 4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(2-Methylpropenoyl) C19H24O8 380.147117 NA MeJP NA NA +MJ050390 4,5-Epoxy-8,10,13-trihydroxy-7-guaien-12,6-olide, 8,13-Di-Ac C19H24O8 380.147117 NA MeJP NA NA +MJ050391 4,5-Epoxy-8,13-dihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8,13-Di-Ac C19H24O8 380.147117 NA MeJP NA NA +MJ050392 8,13-Dihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 1?,10S;4?,5?-Diepoxide, 8,13-di-Ac C19H24O8 380.147117 NA MeJP NA NA +MJ050393 8,9,10-Trihydroxy-2,3-seco-4,11(13)-germacradiene-3,1;12,6-diolide, 8-(2-Methylpropenoyl) C19H24O8 380.147117 NA MeJP NA NA +MJ050394 Cedronolactone B; 15?-Hydroxy C19H24O8 380.147117 NA MeJP NA NA +MJ050395 Gibberellin A3; 12?,15?-Dihydroxy, 1,2-dihydro C19H24O8 380.147117 NA MeJP NA NA +MJ050396 Gibberellin A8; 12?-Hydroxy C19H24O8 380.147117 NA MeJP NA NA +MJ050397 Gibberellin A8; 15?-Hydroxy C19H24O8 380.147117 NA MeJP NA NA +MJ050398 Hypothemicin; 13,14-Dihydro C19H24O8 380.147117 NA MeJP NA NA +MJ050399 Indaquassin A C19H24O8 380.147117 NA MeJP NA NA +MJ050400 Neosolaniol; 8-Ketone C19H24O8 380.147117 NA MeJP NA NA +MJ050401 Parthoxetin C19H24O8 380.147117 NA MeJP NA NA +MJ050402 Polyandrol C19H24O8 380.147117 NA MeJP NA NA +MJ050403 Pretoxin C19H24O8 380.147117 NA MeJP NA NA +C13542 Lactitol dihydrate C12H24O11 380.153 NA KEGG NA NA +C13543 Transferred to D02040 C12H24O11 380.153 NA KEGG NA NA +C13544 Transferred to D02041 C12H24O11 380.153 NA KEGG NA NA +PJ000704 SSST C13H24N4O9 380.1543 NA PeJP NA NA +PJ000705 CKM C14H28N4O4S2 380.1552 NA PeJP NA NA +MJ050404 5-Chloro-4-[[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]amino]-3(2H)-pyridazinone C18H25ClN4O3 380.161518 NA MeJP NA NA +FL1CHYNP0008 Praecanson A C23H24O5 380.16237 74517-76-3 knapsack NA NA +FL1CHYNP0010 7-Methoxypraecansone B;6'',6''-Dimethylpyrano[2'',3'':4',3']-2',6',beta-trimethoxychalcone C23H24O5 380.16237 - knapsack NA NA +MJ050405 1,3,5-Trihydroxy-2,4-diprenylxanthone C23H24O5 380.162373 NA MeJP NA NA +MJ050406 1,3,5-Trihydroxy-4,8-diprenylxanthone C23H24O5 380.162373 NA MeJP NA NA +MJ050407 1,3,7-Trihydroxy-2,4-diprenylxanthone C23H24O5 380.162373 NA MeJP NA NA +MJ050408 1,3,7-Trihydroxy-2,8-diprenylxanthone C23H24O5 380.162373 NA MeJP NA NA +MJ050409 1,3,7-Trihydroxyxanthone; 7-O-(3,7-Dimethyl-2,6-octadienyl)(E-) C23H24O5 380.162373 NA MeJP NA NA +MJ050410 1,4,5-Trihydroxy-3,6-diprenylxanthone C23H24O5 380.162373 NA MeJP NA NA +MJ050411 2,6,8-Trihydroxy-1,5-diprenylxanthone C23H24O5 380.162373 NA MeJP NA NA +MJ050412 2-(3,7-Dimethyl-2,6-octadienyl)-1,3,5-trihydroxyxanthone C23H24O5 380.162373 NA MeJP NA NA +MJ050413 4-(3,7-Dimethyl-2,6-octadienyl)-1,3,5-trihydroxyxanthone C23H24O5 380.162373 NA MeJP NA NA +MJ050414 6-Benzoyl-5-hydroxy-2,2,8,8-tetramethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran; 9,10-Dihydro, 9-hydroxy C23H24O5 380.162373 NA MeJP NA NA +MJ050415 Clusiaphenone D C23H24O5 380.162373 NA MeJP NA NA +MJ050416 Cudraphenone C C23H24O5 380.162373 NA MeJP NA NA +MJ050417 Egonol; Demethoxy, O-(2-methylbutanoyl) C23H24O5 380.162373 NA MeJP NA NA +MJ050418 Folipastatin C23H24O5 380.162373 NA MeJP NA NA +MJ050419 Fusariocin A C23H24O5 380.162373 NA MeJP NA NA +MJ050420 Garciniaxanthone A C23H24O5 380.162373 NA MeJP NA NA +MJ050421 Garcinone A C23H24O5 380.162373 NA MeJP NA NA +MJ050422 Glyasperin G C23H24O5 380.162373 NA MeJP NA NA +MJ050423 Purpurenone; 7-Methoxy, 1'-Me enol ether C23H24O5 380.162373 NA MeJP NA NA +MJ050424 Rotiorin C23H24O5 380.162373 NA MeJP NA NA +MJ050425 Rubrorotiorin; 7-Epimer, dechloro C23H24O5 380.162373 NA MeJP NA NA +MJ050426 Tomentonone; 3,4-Didehydro C23H24O5 380.162373 NA MeJP NA NA +MJ050427 Vismiaphenone B; 4'-Hydroxy C23H24O5 380.162373 NA MeJP NA NA +C15050 2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol C23H24O5 380.1624 NA KEGG NA NA +MJ050428 4-[5-(4-Chlorophenyl)-4-methyl-3-isoxazolyl]-1-(2-phenylethyl)piperidine C23H25ClN2O 380.165541 NA MeJP NA NA +MJ050429 Ecabet C20H28O5S 380.165744 NA MeJP NA NA +8032 synthetic peptide PHQ 380.168 antibacterial Inhouse_peptide NA peptide +MJ050430 2-Methyl-3-buten-2-ol; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C16H28O10 380.168247 NA MeJP NA NA +MJ050431 3-Methyl-2-buten-1-ol; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C16H28O10 380.168247 NA MeJP NA NA +MJ050432 3-Methyl-2-buten-1-ol; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C16H28O10 380.168247 NA MeJP NA NA +MJ050433 3-Methyl-3-buten-1-ol; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C16H28O10 380.168247 NA MeJP NA NA +MJ050434 Cutinostatin B C17H24N4O6 380.169584 NA MeJP NA NA +PJ000706 AQY C17H24N4O6 380.1696 NA PeJP NA NA +MJ050435 N-[[2-Methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-3-piperidinamine C20H23F3N2O2 380.171162 NA MeJP NA NA +C09255 Vomicine C22H24N2O4 380.1736 NA KEGG NA NA +MJ050436 ?-Colubrine; 16-Hydroxy C22H24N2O4 380.173607 NA MeJP NA NA +MJ050437 ?-Colubrine; Nb-Oxide C22H24N2O4 380.173607 NA MeJP NA NA +MJ050438 Alstonidine C22H24N2O4 380.173607 NA MeJP NA NA +MJ050439 Brucine; 10-O-De-Me C22H24N2O4 380.173607 NA MeJP NA NA +MJ050440 Corynantheidinaline; 9-Methoxy C22H24N2O4 380.173607 NA MeJP NA NA +MJ050441 Craspidospermine C22H24N2O4 380.173607 NA MeJP NA NA +MJ050442 Dehydrovoachalotine; 17?-Hydroxy C22H24N2O4 380.173607 NA MeJP NA NA +MJ050443 Di-4-coumaroylputrescine C22H24N2O4 380.173607 NA MeJP NA NA +MJ050444 Fruticosine C22H24N2O4 380.173607 NA MeJP NA NA +MJ050445 Icajine; 15-Hydroxy C22H24N2O4 380.173607 NA MeJP NA NA +MJ050446 Icajine; N-Oxide C22H24N2O4 380.173607 NA MeJP NA NA +MJ050447 Isobrucine; 2-O-De-Me C22H24N2O4 380.173607 NA MeJP NA NA +MJ050448 Kopsine C22H24N2O4 380.173607 NA MeJP NA NA +MJ050449 Kopsinone; 10-Methoxy C22H24N2O4 380.173607 NA MeJP NA NA +MJ050450 Kopsinone; 12-Methoxy C22H24N2O4 380.173607 NA MeJP NA NA +MJ050451 Myrtoidine; Demethoxy C22H24N2O4 380.173607 NA MeJP NA NA +MJ050452 Nareline; 5-Epimer, Et ether C22H24N2O4 380.173607 NA MeJP NA NA +MJ050453 Nareline; Et ether C22H24N2O4 380.173607 NA MeJP NA NA +MJ050454 Pagicerine C22H24N2O4 380.173607 NA MeJP NA NA +MJ050455 Perakine; 10-Methoxy C22H24N2O4 380.173607 NA MeJP NA NA +MJ050456 Peronatin B; 7,7'-Dimethoxy C22H24N2O4 380.173607 NA MeJP NA NA +MJ050457 Rhazinaline; 16-Epimer, (Z)-isomer, 5?-methoxy C22H24N2O4 380.173607 NA MeJP NA NA +MJ050458 Tabersonine, 3-Oxo, 11-methoxy C22H24N2O4 380.173607 NA MeJP NA NA +MJ050459 Vomicine C22H24N2O4 380.173607 NA MeJP NA NA +MJ050460 Vomilenine; 10-Methoxy C22H24N2O4 380.173607 NA MeJP NA NA +MJ050461 ?-Colubrine; 12-Hydroxy C22H24N2O4 380.173607 NA MeJP NA NA +MJ050462 ?-Colubrine; 16-Hydroxy C22H24N2O4 380.173607 NA MeJP NA NA +MJ050463 Chlorovulones C21H29ClO4 380.175437 NA MeJP NA NA +MJ050464 Hamiltonin D C21H29ClO4 380.175437 NA MeJP NA NA +PJ000707 PQH C16H24N6O5 380.1808 NA PeJP NA NA +C08756 Chaparrin C20H28O7 380.1835 NA KEGG NA NA +C17643 Cinncassiol C1 C20H28O7 380.1835 NA KEGG NA NA +MJ050465 1,10-Epoxy-3,4,8-trihydroxy-11(13)-germacren-12,6-olide, 8-Angeloyl C20H28O7 380.183503 NA MeJP NA NA +MJ050466 1,10-Epoxy-3,6,8-trihydroxy-7(11)-eremophilen-12,8-olide, 6-(2-Methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050467 1,10-Epoxy-3,6,8-trihydroxy-7(11)-eremophilen-12,8-olide, 6-(3-Methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050468 1,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 4?,5-Dihydro, 3-ketone, 8-(2-methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050469 1,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 4?,5-Dihydro, 8-angeloyl C20H28O7 380.183503 NA MeJP NA NA +MJ050470 1,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050471 1,10:7,8-Diepoxy-3,6-dihydroxy-12,8-eremophilanolide, 6-(2-Methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050472 1,10:7,8-Diepoxy-3,6-dihydroxy-12,8-eremophilanolide, 6-(3-Methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050473 1,2:3,4-Diepoxy-8,10-dihydroxy-12,6-guaianolide, 8-(2-Methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050474 1,3,6-Trihydroxy-4(15),11(13)-eudesmadien-12-oic acid, 6-(3-Hydroxy-2-methylenepropanoyl), Me ester C20H28O7 380.183503 NA MeJP NA NA +MJ050475 1,5,8-Trihydroxy-4(15)-eudesmen-12,6-olide, 8-(3-Hydroxy-2-methylenebutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050476 1,6,7,14,15-Pentahydroxy-16-kauren-20,7-olide C20H28O7 380.183503 NA MeJP NA NA +MJ050477 1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(2,3-Dihydroxy-2-methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050478 13,16-Epoxy-7,12-dihydroxy-6,14-dioxo-3-cleroden-15-al, 18-Hydroxy C20H28O7 380.183503 NA MeJP NA NA +MJ050479 13-Hydroxyingenol; 19-Hydroxy C20H28O7 380.183503 NA MeJP NA NA +MJ050480 15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8?-Hydroxy C20H28O7 380.183503 NA MeJP NA NA +MJ050481 15,16-Epoxy-3,4,7,10-tetrahydroxy-13(16),14-clerodadien-20,12-olide C20H28O7 380.183503 NA MeJP NA NA +MJ050482 15,16-Epoxy-4,6,18,19-tetrahydroxy-13(16),14-clerodadien-20,12-olide C20H28O7 380.183503 NA MeJP NA NA +MJ050483 2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 2-Angeloyl C20H28O7 380.183503 NA MeJP NA NA +MJ050484 3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050485 3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 1-Me ether C20H28O7 380.183503 NA MeJP NA NA +MJ050486 3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 3-Me ether C20H28O7 380.183503 NA MeJP NA NA +MJ050487 3,10-Epoxy-3,8,14-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050488 3,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050489 3,4-Epoxy-1,11-dihydroxy-7(14),9-bisaboladiene-2,8-dione, 11-Hydroperoxide, 1-(3-methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050490 3,4-Epoxy-1,11-dihydroxy-7(14),9-bisaboladiene-2,8-dione, 7?,14-Epoxide, 1-(3-methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050491 3,4-Epoxy-1,11-dihydroxy-7(14),9-bisaboladiene-2,8-dione, 7?,14-Epoxide, 1-(3-methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050492 3,4-Epoxy-2,8,10-trihydroxy-11(13)-guaien-12,6-olide, 8-(2-Methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050493 3,4-Epoxy-2,8,10-trihydroxy-11(13)-guaien-12,6-olide, 8-(3-Methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050494 3,5,7-Trihydroxy-p-menth-1-en-6-one, 3-Angeloyl, 5-(4-hydroxy-2-methyl-2-butenoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050495 3,6,8,9-Tetrahydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl C20H28O7 380.183503 NA MeJP NA NA +MJ050496 3,8,10-Trihydroxy-1-oxo-11(13)-germacren-12,6-olide, 8-Angeloyl C20H28O7 380.183503 NA MeJP NA NA +MJ050497 3,8-Epoxy-2,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 2-Me ether, 8-(2-methylpropanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050498 4,5-Epoxy-2,3,8-trihydroxy-1(10)-germacren-12,6-olide, 8-Angeloyl C20H28O7 380.183503 NA MeJP NA NA +MJ050499 4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, O-?-L-Arabinopyranoside C20H28O7 380.183503 NA MeJP NA NA +MJ050500 4-Hydroxy-9,11(13)-guaiadien-12,8-olide, O-?-L-Arabinopyranoside C20H28O7 380.183503 NA MeJP NA NA +MJ050501 5,11-Epoxy-2,4,13-trihydroxy-12,8-guaianolide, 2-Angeloyl C20H28O7 380.183503 NA MeJP NA NA +MJ050502 5,11-Epoxy-2,4,13-trihydroxy-12,8-guaianolide, 2-Tigloyl C20H28O7 380.183503 NA MeJP NA NA +MJ050503 6,8,15-Trihydroxy-1,3,11(13)-elematrien-12-oic acid, 8-O-(2-Hydroxymethylpropenoyl), Me ester C20H28O7 380.183503 NA MeJP NA NA +MJ050504 6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 9-(3-Methyl-2-butenoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050505 8,15-Dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-(2-Methylpropanoyl), Me ester C20H28O7 380.183503 NA MeJP NA NA +MJ050506 8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(3,4-Dihydroxy-2-methylenebutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050507 8,15-Dihydroxy-1,3-elemadien-12,6-olide, 8-(3,4-Dihydroxy-2-methylenebutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050508 8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050509 8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 9-(3-Methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050510 8,9,10-Trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050511 Chaparrin C20H28O7 380.183503 NA MeJP NA NA +MJ050512 Cinncassiol C1 C20H28O7 380.183503 NA MeJP NA NA +MJ050513 Dugaldiolide; 2?-Tigloyloxy C20H28O7 380.183503 NA MeJP NA NA +MJ050514 Hymenoxon; 2?-Tigloyloxy C20H28O7 380.183503 NA MeJP NA NA +MJ050515 Klaineanone; 15?-Hydroxy C20H28O7 380.183503 NA MeJP NA NA +MJ050516 Klaineanone; 20-Hydroxy C20H28O7 380.183503 NA MeJP NA NA +MJ050517 Pterosin B, O-?-D-Glucopyranoside C20H28O7 380.183503 NA MeJP NA NA +MJ050518 Pterosin D, 10-O-?-L-Arabinopyranoside C20H28O7 380.183503 NA MeJP NA NA +MJ050519 Trichorabdonin C20H28O7 380.183503 NA MeJP NA NA +MJ050520 Valtrate; 11-De-Ac C20H28O7 380.183503 NA MeJP NA NA +MJ050521 Valtrate; 7,11-Bisdeacyl, 11-O-(3-methylbutanoyl) C20H28O7 380.183503 NA MeJP NA NA +MJ050522 p-Mentha-1,3,5-triene-3,7,8,9,10-pentol; 7-(2-Methylbutanoyl), 9-angeloyl C20H28O7 380.183503 NA MeJP NA NA +MetaCyc03275 GA98 [gibberellin A98;gibberellin A98;GA98;] C20H28O7 380.183503 NA metacyc NA NA +MetaCyc03276 GA38 [gibberellin A38;gibberellin A38;GA38;] C20H28O7 380.183503 NA metacyc NA NA +MJ050523 3-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-2,4(1H,3H)-quinazolinedione C21H24N4O3 380.18484 NA MeJP NA NA +3750 dipeptidyl carboxypeptidase inhibitor PPPA 380.193 ACE inhibitor Inhouse_peptide NA peptide +3771 dipeptidyl carboxypeptidase inhibitor PPAP 380.193 ACE inhibitor Inhouse_peptide NA peptide +MJ050524 1,2-Bis[2-(3,4-dimethoxyphenyl)ethenyl]cyclobutane C24H28O4 380.198759 NA MeJP NA NA +MJ050525 10-(1-Ethenyl-1,5-dimethyl-4-hexenyl)-5-hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one C24H28O4 380.198759 NA MeJP NA NA +MJ050526 14-Hydroxy-3-oxobufa-1,4,20,22-tetraenolide; 14?-form C24H28O4 380.198759 NA MeJP NA NA +MJ050527 15-Hydroxy-3,11(13)-eudesmadien-12-oic acid; Cinnamoyl (E-) C24H28O4 380.198759 NA MeJP NA NA +MJ050528 15-Hydroxy-3,11(13)-eudesmadien-12-oic acid; Cinnamoyl (Z-) C24H28O4 380.198759 NA MeJP NA NA +MJ050529 2,4,6-Trihydroxy-3,5-diprenylbenzophenone; 2-Me ether C24H28O4 380.198759 NA MeJP NA NA +MJ050530 2,4,6-Trihydroxy-3,5-diprenylbenzophenone; 4-Me ether C24H28O4 380.198759 NA MeJP NA NA +MJ050531 2,4,6-Trihydroxybenzophenone; 2-Me ether, 4-O-(3,6-dimethyl-2,7-octadienyl)(E-) C24H28O4 380.198759 NA MeJP NA NA +MJ050532 2-Hydroxy-1(10)-oplopene-4,9-dione; 2?-form, O-Cinnamoyl C24H28O4 380.198759 NA MeJP NA NA +MJ050533 Angelicolide C24H28O4 380.198759 NA MeJP NA NA +MJ050534 Angeolide C24H28O4 380.198759 NA MeJP NA NA +MJ050535 Chlorophorin C24H28O4 380.198759 NA MeJP NA NA +MJ050536 Clausarin C24H28O4 380.198759 NA MeJP NA NA +MJ050537 E 232 C24H28O4 380.198759 NA MeJP NA NA +MJ050538 Ferprenin; 12'-Hydroxy C24H28O4 380.198759 NA MeJP NA NA +MJ050539 Ferprenin; 15'-Hydroxy C24H28O4 380.198759 NA MeJP NA NA +MJ050540 Ferulenol; 12'-Oxo C24H28O4 380.198759 NA MeJP NA NA +MJ050541 Gancaonin U C24H28O4 380.198759 NA MeJP NA NA +MJ050542 Hippospongin D C24H28O4 380.198759 NA MeJP NA NA +MJ050543 Kinocoumarin C24H28O4 380.198759 NA MeJP NA NA +MJ050544 Kopetdaghin; 3'-Ketone C24H28O4 380.198759 NA MeJP NA NA +MJ050545 Levistolide C24H28O4 380.198759 NA MeJP NA NA +MJ050546 Marupone C24H28O4 380.198759 NA MeJP NA NA +MJ050547 Nordentatin; O-(1,1-Dimethyl-2-propenyl) C24H28O4 380.198759 NA MeJP NA NA +MJ050548 Nordentatin; O-(3-Methyl-2-butenyl) C24H28O4 380.198759 NA MeJP NA NA +MJ050549 O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone, 3'-Deoxy, 6'-ketone C24H28O4 380.198759 NA MeJP NA NA +MJ050550 O-(3-Hydroxy-6,8(12)-drimadien-11-yl)umbelliferone C24H28O4 380.198759 NA MeJP NA NA +MJ050551 O-(3-Hydroxy-7-drimen-11-yl)umbelliferone, 3'-Ketone C24H28O4 380.198759 NA MeJP NA NA +MJ050552 O-(3-Hydroxy-8(12)-drimen-11-yl)umbelliferone, 3'-Ketone C24H28O4 380.198759 NA MeJP NA NA +MJ050553 Riligustilide C24H28O4 380.198759 NA MeJP NA NA +MJ050554 Senkyunolide O C24H28O4 380.198759 NA MeJP NA NA +MJ050555 Ternatin C24H28O4 380.198759 NA MeJP NA NA +MJ050556 Tokinolide A C24H28O4 380.198759 NA MeJP NA NA +MJ050557 Tokinolide B C24H28O4 380.198759 NA MeJP NA NA +C08608 Norbixin C24H28O4 380.1988 NA KEGG NA NA +C10250 Chlorophorin C24H28O4 380.1988 NA KEGG NA NA +C07004 Fludrocortisone C21H29FO5 380.1999 NA KEGG NA NA +MJ050558 Fludrocortisone C21H29FO5 380.199902 NA MeJP NA NA +8028 synthetic peptide PHK 380.204 antibacterial Inhouse_peptide NA peptide +PJ000708 AKY C18H28N4O5 380.206 NA PeJP NA NA +MJ050559 Acoxatrine C23H28N2O3 380.209992 NA MeJP NA NA +MJ050560 Bopindolol C23H28N2O3 380.209992 NA MeJP NA NA +MJ050561 Caracurine VII; Na-Ac, Et ether C23H28N2O3 380.209992 NA MeJP NA NA +MJ050562 Mindodilol C23H28N2O3 380.209992 NA MeJP NA NA +MJ050563 Retuline; 16-Epimer, O-Ac C23H28N2O3 380.209992 NA MeJP NA NA +MJ050564 Retuline; O-Ac C23H28N2O3 380.209992 NA MeJP NA NA +MJ050565 Tetraphyllicine; 10-Methoxy, O-Ac C23H28N2O3 380.209992 NA MeJP NA NA +MJ050566 Tropapride C23H28N2O3 380.209992 NA MeJP NA NA +MJ050567 Polyneuridine; N1,N4-Di-Me C23H29N2O3(+) 380.209992 NA MeJP NA NA +MJ050568 Arpromidine C21H25FN6 380.212473 NA MeJP NA NA +C15112 4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate C22H30F2O3 380.2163 NA KEGG NA NA +PJ000709 PKH C17H28N6O4 380.2172 NA PeJP NA NA +MJ050569 18,19-Epoxy-3,4,19-trihydroxy-13-cleroden-15,16-olide, 19-Me ether C21H32O6 380.219888 NA MeJP NA NA +MJ050570 2,6,10-Farnesatriene-1,8,12-triol, Tri-Ac C21H32O6 380.219888 NA MeJP NA NA +MJ050571 2-Hydroxy-4-methoxy-6-(13-hydroxy-2-oxotridecyl)benzoic acid C21H32O6 380.219888 NA MeJP NA NA +MJ050572 3,10-Epoxy-3,8-dihydroxy-11(13)-germacren-12,6-olide, O3-Et, 8-(2-methylpropanoyl) C21H32O6 380.219888 NA MeJP NA NA +MJ050573 3,17,20-Trihydroxy-11-oxopregnan-21-oic acid C21H32O6 380.219888 NA MeJP NA NA +MJ050574 3,4,5-Trihydroxybenzoic acid; 3-O-Dodecanoyl, Et ester C21H32O6 380.219888 NA MeJP NA NA +MJ050575 3,4-Dihydroxy-13-cleroden-16,15-olid-18-oic acid, Me ester C21H32O6 380.219888 NA MeJP NA NA +MJ050576 3,8,11,12,14-Pentahydroxypregn-5-en-20-one C21H32O6 380.219888 NA MeJP NA NA +MJ050577 3,8,12,14,15-Pentahydroxypregn-5-en-20-one C21H32O6 380.219888 NA MeJP NA NA +MJ050578 3,8,12,14,17-Pentahydroxypregn-5-en-20-one C21H32O6 380.219888 NA MeJP NA NA +MJ050579 3,8,12,14,20-Pentahydroxypregn-5-en-1-one C21H32O6 380.219888 NA MeJP NA NA +MJ050580 5-Tridecyl-1,3-benzenediol; 2'?-Acetoxy, 7'?-hydroxy, 8'-oxo C21H32O6 380.219888 NA MeJP NA NA +MJ050581 6,7,17-Trihydroxy-15,16-isocopalanedioic acid, 15?17 Lactone, Me ester C21H32O6 380.219888 NA MeJP NA NA +MJ050582 6-Guaiene-4,9,10-triol, Tri-Ac C21H32O6 380.219888 NA MeJP NA NA +MJ050583 7,20-Epoxy-1,6,7,17-tetrahydroxy-15-kauranone, 17-Me ether C21H32O6 380.219888 NA MeJP NA NA +MJ050584 8(12)-Drimene-1,2,11-triol, Tri-Ac C21H32O6 380.219888 NA MeJP NA NA +MJ050585 8,17:14,15-Diepoxy-3,6-dihydroxy-12-labden-16-oic acid, Me ester C21H32O6 380.219888 NA MeJP NA NA +MJ050586 Alternaric acid; 10,11-Dideoxy, 6,19-dihydro C21H32O6 380.219888 NA MeJP NA NA +MJ050587 Galbonolide A C21H32O6 380.219888 NA MeJP NA NA +MJ050588 Galbonolide B; 21-Hydroxy C21H32O6 380.219888 NA MeJP NA NA +MJ050589 Galbonolide D C21H32O6 380.219888 NA MeJP NA NA +MJ050590 Gingerdiols; [6]-Gingerdiol, 3,5-Di-Ac C21H32O6 380.219888 NA MeJP NA NA +MJ050591 Javanicin L C21H32O6 380.219888 NA MeJP NA NA +MJ050592 Nigakihemiacetal C C21H32O6 380.219888 NA MeJP NA NA +MJ050593 Planaxool C21H32O6 380.219888 NA MeJP NA NA +MJ050594 Rustmicin C21H32O6 380.219888 NA MeJP NA NA +MJ050595 1,19-Diisothiocyanato-1,18-nonadecadiene, 1,2-Dihydro C21H36N2S2 380.23199 NA MeJP NA NA +MJ050596 2-(1,4,7,10,13,16-Nonadecahexaenyl)-1,3,5-benzenetriol C25H32O3 380.235144 NA MeJP NA NA +MJ050597 4-Hydroxy-5-methyl-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-2H-1-benzopyran-2-one C25H32O3 380.235144 NA MeJP NA NA +MJ050598 Nylestriol C25H32O3 380.235144 NA MeJP NA NA +MJ050599 Antibiotic TAN 1251B; 3'-Deoxy C24H32N2O2 380.246378 NA MeJP NA NA +MJ050600 Eprazinone C24H32N2O2 380.246378 NA MeJP NA NA +HMDB02082 Bisnorcholic acid C22H36O5 380.25626 http://www.hmdb.ca/metabolites/HMDB02082 HMDB NA NA +HMDB02082 Bisnorcholic acid C22H36O5 380.25626 HMDB02082 PFEM_hmdb_metabocards_official NA NA +MJ050601 1,15,19-Trihydroxy-2,6,13-phytatrien-12-one, 19-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050602 1,19-Dihydroxy-2,6-14-phytatrien-18-oic acid, 19-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050603 11,15-Dihydroxy-16,16-dimethyl-9-oxo-5,13-prostadienoic acid C22H36O5 380.256274 NA MeJP NA NA +MJ050604 2,19-Dihydroxy-7-labden-15-oic acid, 19-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050605 2,6,10,14-Phytatetraene-1,12,19,20-tetrol, 19-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050606 3,19-Dihydroxy-7-labden-15-oic acid, 19-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050607 3,19-Dihydroxy-7-labden-15-oic acid, 3-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050608 3,4-Epoxy-7-dolabellene-10,18-diol, 7?,8?-Epoxide, 18-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050609 3,7-Dolabelladiene-6,10,12,16-tetrol, 6-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050610 3-Clerodene-6,15,17,18-tetrol, 18-Aldehyde, 17-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050611 4(18)-Erythroxylene-1,11,15,16-tetrol, 1-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050612 5-Rosene-3,15,16,19-tetrol, 3-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050613 5-Tridecyl-1,3-benzenediol; 2'R-Acetoxy, 13'-hydroxy, 3-Me ether C22H36O5 380.256274 NA MeJP NA NA +MJ050614 5-Tridecyl-1,3-benzenediol; 2'R-Acetoxy, 8'-hydroxy, 3-Me ether C22H36O5 380.256274 NA MeJP NA NA +MJ050615 6,13-Epoxy-3-eunicellene-8,9,12-triol, 12-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050616 6,13-Epoxy-4(18)-eunicellene-8,9,12-triol, 12-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050617 6,7-Epoxy-2,10,14-phytatriene-1,12,20-triol, 12-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050618 7,14-Dihydroxy-15-nor-16-isocopalanoic acid, 7-Ac, Me ester C22H36O5 380.256274 NA MeJP NA NA +MJ050619 7,18-Dihydroxy-8(17)-labden-15-oic acid, 18-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050620 8(14)-Pimarene-2,15,16,19-tetrol, 15-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050621 8(14)-Pimarene-2,15,16,19-tetrol, 16-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050622 8(17),13-Labdadiene-2,7,15,19-tetrol, 19-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050623 8,13-Epoxy-11,14,15-labdanetriol, 11-Ketone, 15-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050624 8-Methylpodopyrone; 10'-Acetoxy C22H36O5 380.256274 NA MeJP NA NA +MJ050625 9,13:15,16-Diepoxy-6,15-dihydroxy-7-labdanone, 15-Et ether C22H36O5 380.256274 NA MeJP NA NA +MJ050626 Aphidicolin; 17-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050627 Aphidicolin; 3,18-Orthoacetate C22H36O5 380.256274 NA MeJP NA NA +MJ050628 Byssomeruliol C C22H36O5 380.256274 NA MeJP NA NA +MJ050629 Cycloschkuriadiol; 16-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050630 Enisoprost C22H36O5 380.256274 NA MeJP NA NA +MJ050631 Hydroxyancepsenolide C22H36O5 380.256274 NA MeJP NA NA +MJ050632 Limaprost C22H36O5 380.256274 NA MeJP NA NA +MJ050633 Membrenone A C22H36O5 380.256274 NA MeJP NA NA +MJ050634 Phanerosporic acid C22H36O5 380.256274 NA MeJP NA NA +MJ050635 Pregn-5-ene-3,14,17,20,21-pentol, 21-Me ether C22H36O5 380.256274 NA MeJP NA NA +MJ050636 Prostalene C22H36O5 380.256274 NA MeJP NA NA +MJ050637 Sarcotol; 6?-Hydroxy, 11-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050638 Sartol B; 11-Ac C22H36O5 380.256274 NA MeJP NA NA +MJ050639 Sclerophytin A; 9-Ac C22H36O5 380.256274 NA MeJP NA NA +HMDB02082 Bisnorcholic acid C22H36O5 380.256287 NA HMDB2010 NA NA +MJ050640 1-(3-Hydroxyphenyl)-14-phenyl-2-tetradecanol; 2-Ketone C26H36O2 380.27153 NA MeJP NA NA +MJ050641 2-Polyprenyl-1,4-benzenediol; 2-Tetraprenyl-1,4-benzenediol, Quinone C26H36O2 380.27153 NA MeJP NA NA +MJ050642 Cacospongin B; p-Quinone C26H36O2 380.27153 NA MeJP NA NA +MJ050643 1,2-Dihydroxy-12,15-heneicosadien-4-one, 1-Ac C23H40O4 380.292659 NA MeJP NA NA +MJ050644 1,2-Dihydroxy-12,15-heneicosadien-4-one, 2-Ac C23H40O4 380.292659 NA MeJP NA NA +MJ050645 Untenone A C23H40O4 380.292659 NA MeJP NA NA +HMDB11545 MG(0:0/20:3(11Z,14Z,17Z)/0:0) C23H40O4 380.292664 NA HMDB2010 NA NA +HMDB11546 MG(0:0/20:3(5Z,8Z,11Z)/0:0) C23H40O4 380.292664 NA HMDB2010 NA NA +HMDB11547 MG(0:0/20:3(8Z,11Z,14Z)/0:0) C23H40O4 380.292664 NA HMDB2010 NA NA +HMDB11575 MG(20:3(11Z,14Z,17Z)/0:0/0:0) C23H40O4 380.292664 NA HMDB2010 NA NA +HMDB11576 MG(20:3(5Z,8Z,11Z)/0:0/0:0) C23H40O4 380.292664 NA HMDB2010 NA NA +HMDB11577 MG(20:3(8Z,11Z,14Z)/0:0/0:0) C23H40O4 380.292664 NA HMDB2010 NA NA +EUR398 Calcitriol F3 F3 380.306775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR398 Calcitriol F3 NA 380.306775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR398 Calcitriol F3 F3 380.306775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR398 Calcitriol F3 NA 380.306775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR398 Calcitriol F3 F3 380.306775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR398 Calcitriol F3 NA 380.306775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR398 Calcitriol F3 F3 380.306775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR398 Calcitriol F3 F3 380.306775 standards wishlist analysés sur QTOF HMDB NA NA +EUR398 Calcitriol F3 F3 380.306775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR398 Calcitriol F3 NA 380.306775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR398 Calcitriol F3 F3 380.306775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR398 Calcitriol F3 F3 380.306775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ050646 19-Norergosta-5(10),6,8,22-tetraen-3-ol C27H40O 380.307915 NA MeJP NA NA +MJ050647 Cholesta-4,6,8(14)-trien-3-ol; 3-Ketone C27H40O 380.307915 NA MeJP NA NA +MJ050648 Phycomysterol B; 24,28-Didehydro C27H40O 380.307915 NA MeJP NA NA +MJ050649 Psylloborine A C26H40N2 380.319149 NA MeJP NA NA +MJ050650 10,12-Pentacosanedione C25H48O2 380.36543 NA MeJP NA NA +MJ050651 16-Pentacosenoic acid C25H48O2 380.36543 NA MeJP NA NA +MJ050652 17-Pentacosenoic acid C25H48O2 380.36543 NA MeJP NA NA +MJ050653 18-Pentacosenoic acid C25H48O2 380.36543 NA MeJP NA NA +MJ050654 19-Pentacosenoic acid C25H48O2 380.36543 NA MeJP NA NA +MJ050655 4,6-Pentacosanedione C25H48O2 380.36543 NA MeJP NA NA +MJ050656 4-Heptanol; 3-Octadecenoyl(Z-) C25H48O2 380.36543 NA MeJP NA NA +MJ050657 6,8-Pentacosanedione C25H48O2 380.36543 NA MeJP NA NA +MJ050658 7,9-Pentacosanedione C25H48O2 380.36543 NA MeJP NA NA +MJ050659 8,10-Pentacosanedione C25H48O2 380.36543 NA MeJP NA NA +MJ050660 Cyclopentaneheneicosanol C26H52O 380.401816 NA MeJP NA NA +MJ050661 Hexacosanal C26H52O 380.401816 NA MeJP NA NA +MJ050662 2-Methylhexacosane C27H56 380.438201 NA MeJP NA NA +MJ050663 Heptacosane C27H56 380.438201 NA MeJP NA NA +MJ050664 3,5,7-Tribromo-6-methoxy-1H-indole C9H6Br3NO 380.799951 NA MeJP NA NA +MJ050665 4,6-Dibromo-2,3-bis(methylthio)-1H-indole; 2-S-Oxide C10H9Br2NOS2 380.84923 NA MeJP NA NA +MJ050666 4,6-Dibromo-2,3-bis(methylthio)-1H-indole; 3-S-Oxide C10H9Br2NOS2 380.84923 NA MeJP NA NA +MJ050667 7,9-Dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4,5]deca-2,6,8-triene-3-carboxylic acid C10H9Br2NO5 380.884747 NA MeJP NA NA +HMDB00843 N-Acetylgalactosamine 4,6-disulfate C8H15NO12S2 381.00357 http://www.hmdb.ca/metabolites/HMDB00843 HMDB NA NA +HMDB00843 N-Acetylgalactosamine 4,6-disulfate C8H15NO12S2 381.00357 HMDB00843 PFEM_hmdb_metabocards_official NA NA +HMDB00843 N-Acetylgalactosamine 4,6-disulfate C8H15NO12S2 381.003571 NA HMDB2010 NA NA +MetaCyc03277 N-acetyl-D-glucosamine-1,6-diphosphate [N-acetyl-D-glucosamine-1,6-P2;] C8H17N1O12P2 381.022598 NA metacyc NA NA +C04461 N-Acetyl-D-glucosamine 1,6-bisphosphate C8H17NO12P2 381.0226 NA KEGG NA NA +C11097 F5231 C12H14ClF2N5O3S 381.0474 NA KEGG NA NA +MJ050668 Mebutizide C13H20ClN3O4S2 381.058375 NA MeJP NA NA +MetaCyc03278 2-amino-5-formylamino-6-hydroxy-4-(5 phosphoribosylamino)-pyrimidine [2-amino-5-formylamino-6-(5-phosphoribosylamino)pyrimidin-4(3H)-one;] C10H16N5O9P1 381.068564 NA metacyc NA NA +C15563 2-Amino-5-formylamino-6-(5-phosphoribosylamino)pyrimidin-4(3H)-one C10H16N5O9P 381.0686 NA KEGG NA NA +C15564 (R)-2-Haloacid C2H2O2XR 381.0686 NA KEGG NA NA +C15565 (S)-2-Hydroxyacid C2H3O3R 381.0686 NA KEGG NA NA +C10946 Metsulfuron methyl C14H15N5O6S 381.0743 NA KEGG NA NA +HMDB05014 Celecoxib C17H14F3N3O2S 381.07587 http://www.hmdb.ca/metabolites/HMDB05014 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05014 Celecoxib C17H14F3N3O2S 381.07587 http://www.hmdb.ca/metabolites/HMDB05014 HMDB NA NA +HMDB05014 Celecoxib C17H14F3N3O2S 381.07587 http://www.hmdb.ca/metabolites/HMDB05014 PFEM_hmdb_metabocards_blood NA blood +HMDB05014 Celecoxib C17H14F3N3O2S 381.07587 HMDB05014 PFEM_hmdb_metabocards_official NA NA +MJ050669 Celecoxib C17H14F3N3O2S 381.075882 NA MeJP NA NA +HMDB05014 Celecoxib C17H14F3N3O2S 381.075897 NA HMDB2010 NA NA +C07589 Celecoxib C17H14F3N3O2S 381.0759 NA KEGG NA NA +MJ050670 Isaglitazone C21H16FNO3S 381.083492 NA MeJP NA NA +MJ050671 4-Hydroxy-6-methylpretetramide C20H15NO7 381.084851 NA MeJP NA NA +MJ050672 1,3,4,10,11,12-Hexahydroxy-6-methyl-2-naphthacenecarboxamide C20H15NO7 381.084851 NA MeJP NA NA +MJ050673 Fumaflorine C20H15NO7 381.084851 NA MeJP NA NA +MJ050674 Hypecorinine; 8-Oxo C20H15NO7 381.084851 NA MeJP NA NA +C06628 4-Hydroxy-6-methylpretetramide C20H15NO7 381.0849 NA KEGG NA NA +MJ050675 Plumbemycin A C12H20N3O9P 381.093715 NA MeJP NA NA +3352 Antihrombotic peptide WGC 381.1 celiac toxic Inhouse_peptide NA peptide +CJneg0572 Hippuric acid [(2M-2H+Na)]- (13C) C1713CH16N2NaO6 381.102325 C18rt(min)=5.87 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0572 Hippuric acid [(2M-2H+Na)]- (13C) C1713CH16N2NaO6 381.102325 C18rt(min)=5.87 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +PJ000710 CEM C13H23N3O6S2 381.1028 NA PeJP NA NA +MJ050676 2-Hydroxy-2-phenylacetonitrile, O-(6-O-Malonyl-?-D-glucopyranoside) C17H19NO9 381.105981 NA MeJP NA NA +C07865 Rabeprazole sodium C18H20N3O3S 381.1123 NA KEGG NA NA +MJ050677 13-Methoxyoxoberberine C21H19NO6 381.121237 NA MeJP NA NA +MJ050678 8-Oxocorynoline; Natural-form C21H19NO6 381.121237 NA MeJP NA NA +MJ050679 Adlumidiceine enol lactone C21H19NO6 381.121237 NA MeJP NA NA +MJ050680 Arnottianamide C21H19NO6 381.121237 NA MeJP NA NA +MJ050681 Isoarnottianamide C21H19NO6 381.121237 NA MeJP NA NA +MJ050682 Lavendustin A C21H19NO6 381.121237 NA MeJP NA NA +MJ050683 Oxopurpureine C21H19NO6 381.121237 NA MeJP NA NA +MJ050684 Pictonamine C21H19NO6 381.121237 NA MeJP NA NA +MJ050685 Pontevedrine C21H19NO6 381.121237 NA MeJP NA NA +MJ050686 Puntarenine C21H19NO6 381.121237 NA MeJP NA NA +MJ050687 Coulteroberbinone C21H20NO6(+) 381.121237 NA MeJP NA NA +HMDB00768 N-Acetyl-9-O-lactoylneuraminic acid C14H23NO11 381.127106 NA HMDB2010 NA NA +HMDB00768 N-Acetyl-9-O-lactoylneuraminic acid C14H23NO11 381.12711 http://www.hmdb.ca/metabolites/HMDB00768 HMDB NA NA +HMDB00768 N-Acetyl-9-O-lactoylneuraminic acid C14H23NO11 381.12711 HMDB00768 PFEM_hmdb_metabocards_official NA NA +MJ050688 Pleconaril C18H18F3N3O3 381.130026 NA MeJP NA NA +MJ050689 Acutumine; 11-Deoxy C19H24ClNO5 381.1343 NA MeJP NA NA +MJ050690 Narcissidine; N-(Chloromethyl) C19H25ClNO5(+) 381.1343 NA MeJP NA NA +MJ050691 Karnamicin B3 C17H23N3O5S 381.135841 NA MeJP NA NA +MJ050692 Karnamicin C2 C17H23N3O5S 381.135841 NA MeJP NA NA +MJ050693 Karnamicin C3 C17H23N3O5S 381.135841 NA MeJP NA NA +MJ050694 Karnamicin D3 C17H23N3O5S 381.135841 NA MeJP NA NA +PJ000711 PCY C17H23N3O5S 381.1359 NA PeJP NA NA +MJ050695 Fendosal C25H19NO3 381.136493 NA MeJP NA NA +PJ000712 TMM C14H27N3O5S2 381.1392 NA PeJP NA NA +MJ050696 Antibiotic TAN 1254 C14H19N7O6 381.139681 NA MeJP NA NA +MJ050697 Benzomalvin B; 19,20-Dihydro, atropisomer C24H19N3O2 381.147726 NA MeJP NA NA +MJ050698 Benzomalvin B; 19?,20-Dihydro C24H19N3O2 381.147726 NA MeJP NA NA +8024 synthetic peptide PHE 381.152 antibacterial Inhouse_peptide NA peptide +PJ000713 AEY C17H23N3O7 381.1536 NA PeJP NA NA +MJ050699 6-[2-[[3-(2-Chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropoxy]-3(2H)-pyridazinone hydrazone C17H24ClN5O3 381.156767 NA MeJP NA NA +MJ050700 8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3,7-Dibenzoyl C22H23NO5 381.157622 NA MeJP NA NA +MJ050701 Isotylocrebrine, 14?-Hydroxy, 3,6-di-O-de-Me C22H23NO5 381.157622 NA MeJP NA NA +MJ050702 Yuanamide C22H23NO5 381.157622 NA MeJP NA NA +MJ050703 Anisocycline C22H24NO5(+) 381.157622 NA MeJP NA NA +MJ050704 N-[4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide C23H19N5O 381.15896 NA MeJP NA NA +MJ050705 Azelastine C22H24ClN3O 381.16079 NA MeJP NA NA +C07768 Azelastine C22H24ClN3O 381.1608 NA KEGG NA NA +C07769 Transferred to D00659 C22H24ClN3O 381.1608 NA KEGG NA NA +MJ050706 Mefenidramium(1+); Methyl sulfate C19H27NO5S 381.160993 NA MeJP NA NA +MJ050707 Pantothenic acid, 4'-O-?-D-Glucopyranoside C15H27NO10 381.163496 NA MeJP NA NA +C03423 O-beta-D-Glucosylzeatin C16H23N5O6 381.1648 NA KEGG NA NA +C15546 O-beta-D-Glucopyranosyl-cis-zeatin C16H23N5O6 381.1648 NA KEGG NA NA +C16443 trans-Zeatin-7-beta-D-glucoside C16H23N5O6 381.1648 NA KEGG NA NA +HMDB12201 Cis-zeatin-7-N-glucoside C16H23N5O6 381.164825 NA HMDB2010 NA NA +HMDB12202 Cis-zeatin-9-N-glucoside C16H23N5O6 381.164825 NA HMDB2010 NA NA +HMDB12203 Cis-zeatin-O-glucoside C16H23N5O6 381.164825 NA HMDB2010 NA NA +MJ050708 Zeatin, 7-?-D-Glucopyranosyl (7H-form) C16H23N5O6 381.164833 NA MeJP NA NA +MJ050709 Zeatin, 9-?-D-Glucopyranosyl C16H23N5O6 381.164833 NA MeJP NA NA +MJ050710 Zeatin, O-?-D-Glucopyranoside C16H23N5O6 381.164833 NA MeJP NA NA +MJ050711 Zeatin, 9-?-D-Glucopyranosyl C16H23N5O6 381.164833 NA MeJP NA NA +MetaCyc03279 O-β-D-glucosyl-cis-zeatin [] C16H23N5O6 381.164833 NA metacyc NA NA +MetaCyc03280 cis-zeatin-O-glucoside [] C16H23N5O6 381.164833 NA metacyc NA NA +MetaCyc03281 cis-zeatin-9-N-glucoside [] C16H23N5O6 381.164833 NA metacyc NA NA +MetaCyc03282 cis-zeatin-7-N-glucoside [] C16H23N5O6 381.164833 NA metacyc NA NA +MetaCyc03283 trans-zeatin-O-glucoside [O-β-D-Glucosylzeatin;] C16H23N5O6 381.164833 NA metacyc NA NA +MetaCyc03284 trans-zeatin-9-N-glucoside [] C16H23N5O6 381.164833 NA metacyc NA NA +MetaCyc03285 trans-zeatin-7-N-glucoside [] C16H23N5O6 381.164833 NA metacyc NA NA +PJ000714 PEH C16H23N5O6 381.1649 NA PeJP NA NA +MJ050712 Austamide; 12,13-Dihydro, 12-Hydroxy C21H23N3O4 381.168856 NA MeJP NA NA +MJ050713 Cyclotryprostatin A; Demethoxy, 12-epimer C21H23N3O4 381.168856 NA MeJP NA NA +MJ050714 Mersingine A; 14,15-Dihydro, 15?-hydroxy C21H23N3O4 381.168856 NA MeJP NA NA +MJ050715 Scaevodimerine A; 1',2'-Didehydro C21H23N3O4 381.168856 NA MeJP NA NA +MJ050716 Xaliproden C24H22F3N 381.170434 NA MeJP NA NA +PJ000715 CLF C18H27N3O4S 381.1722 NA PeJP NA NA +MJ050717 Sinefungin C15H23N7O5 381.176066 NA MeJP NA NA +MetaCyc03286 sinefungin [] C15H23N7O5 381.176067 NA metacyc NA NA +7498 ACE inhibitor from as2-CN TVY 381.178 antioxidative Inhouse_peptide NA peptide +MJ050718 Otosenine C19H27NO7 381.178752 NA MeJP NA NA +MJ050719 Petasitenine C19H27NO7 381.178752 NA MeJP NA NA +MJ050720 Senecioracenine C19H27NO7 381.178752 NA MeJP NA NA +MJ050721 Senkirkine; 15E-Isomer, 18-hydroxy C19H27NO7 381.178752 NA MeJP NA NA +MJ050722 Senkirkine; 15E-Isomer, 21-hydroxy C19H27NO7 381.178752 NA MeJP NA NA +MJ050723 Senkirkine; 18-Hydroxy C19H27NO7 381.178752 NA MeJP NA NA +MJ050724 Senkirkine; 19-Hydroxy C19H27NO7 381.178752 NA MeJP NA NA +MJ050725 Tanakine; N-?-D-Glucopyranosyl C19H27NO7 381.178752 NA MeJP NA NA +C10359 Petasitenine C19H27NO7 381.1788 NA KEGG NA NA +3269 NA QVTSTEV 381.181 MH2+ Inhouse_peptide NA peptide +MJ050726 Benperidol C22H24FN3O2 381.185255 NA MeJP NA NA +MJ050727 Declenperone C22H24FN3O2 381.185255 NA MeJP NA NA +MJ050728 Zolantidine C22H27N3OS 381.187483 NA MeJP NA NA +PJ000716 SLY C18H27N3O6 381.19 NA PeJP NA NA +MJ050729 Micinicate C23H27NO4 381.194008 NA MeJP NA NA +MJ050730 N-[[(2,7-Dimethyl-9H-fluoren-9-yl)methoxy]carbonyl]leucine C23H27NO4 381.194008 NA MeJP NA NA +MJ050731 Phyllostemine; Di-Me ether, N-oxide(?-) C23H27NO4 381.194008 NA MeJP NA NA +MJ050732 Polycanthidine C23H27NO4 381.194008 NA MeJP NA NA +MJ050733 Tyloindicine F C23H27NO4 381.194008 NA MeJP NA NA +MJ050734 C-Alkaloid Q C22H27N3O3 381.205241 NA MeJP NA NA +MJ050735 Ganstigmine C22H27N3O3 381.205241 NA MeJP NA NA +MJ050736 Tryprostatin A C22H27N3O3 381.205241 NA MeJP NA NA +C10408 Symlandine C20H31NO6 381.2151 NA KEGG NA NA +C10409 Symphytine C20H31NO6 381.2151 NA KEGG NA NA +MJ050737 Echiumine C20H31NO6 381.215137 NA MeJP NA NA +MJ050738 Echiupinine C20H31NO6 381.215137 NA MeJP NA NA +MJ050739 Scorpioidine C20H31NO6 381.215137 NA MeJP NA NA +MJ050740 Pyrvinium(1+) C26H28N3(+) 381.220497 NA MeJP NA NA +7479 ACE inhibitor HLL 381.226 antioxidative Inhouse_peptide NA peptide +7993 synthetic peptide LHI 381.226 inhibitor Inhouse_peptide NA peptide +7995 synthetic peptide LHL 381.226 hypotensive Inhouse_peptide NA peptide +MJ050741 Brachyamide A C24H31NO3 381.230393 NA MeJP NA NA +MJ050742 Kayawongine C24H31NO3 381.230393 NA MeJP NA NA +MJ050743 Pipoxizine C24H31NO3 381.230393 NA MeJP NA NA +MJ050744 Terikalant C24H31NO3 381.230393 NA MeJP NA NA +PJ000717 LLH C18H31N5O4 381.2376 NA PeJP NA NA +MJ050745 Pitiamide A C22H36ClNO2 381.243457 NA MeJP NA NA +MJ050746 2-(Aminomethyl)-2-propenoic acid; N-(2-Acetoxy-2-tetradecenoyl), Me ester C21H35NO5 381.251523 NA MeJP NA NA +HMDB01383 Sphinganine 1-phosphate C18H40NO5P 381.2644 http://www.hmdb.ca/metabolites/HMDB01383 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01383 Sphinganine 1-phosphate C18H40NO5P 381.2644 http://www.hmdb.ca/metabolites/HMDB01383 HMDB NA NA +C01120 Sphinganine 1-phosphate C18H40NO5P 381.2644 NA KEGG NA NA +HMDB01383 Sphinganine 1-phosphate C18H40NO5P 381.2644 http://www.hmdb.ca/metabolites/HMDB01383 PFEM_hmdb_metabocards_blood NA blood +HMDB01383 Sphinganine 1-phosphate C18H40NO5P 381.2644 HMDB01383 PFEM_hmdb_metabocards_official NA NA +HMDB01383 Sphinganine 1-phosphate C18H40NO5P 381.264404 NA HMDB2010 NA NA +MJ050747 Sphinganine 1-phosphate C18H40NO5P 381.264409 NA MeJP NA NA +MetaCyc03287 sphinganine 1-phosphate [Dihydrosphingosine 1-phosphate;Sphinganine 1-phosphate;DHS-1-P;] C18H40N1O5P1 381.26441 NA metacyc NA NA +MJ050748 Cyclomicrobuxeine K; N-De-Me, N-formyl C25H35NO2 381.266779 NA MeJP NA NA +MJ050749 Polyavolinamide C25H35NO2 381.266779 NA MeJP NA NA +MJ050750 Conioidine A; 4'-Hydroxy C22H39NO4 381.287908 NA MeJP NA NA +C10576 Cannabisativine C21H39N3O3 381.2991 NA KEGG NA NA +MJ050751 Cannabisativine C21H39N3O3 381.299142 NA MeJP NA NA +MJ050752 20-(2-Methyl-1-pyrrolin-5-yl)pregn-4-en-3-one C26H39NO 381.303164 NA MeJP NA NA +MJ050753 Buxotrienine C26H39NO 381.303164 NA MeJP NA NA +MJ050754 Buxpsiine K C26H39NO 381.303164 NA MeJP NA NA +MJ050755 Hyrcanine C26H39NO 381.303164 NA MeJP NA NA +MJ050756 Semperviraminone C26H39NO 381.303164 NA MeJP NA NA +MJ050757 2-(Aminomethyl)-2-propenoic acid; N-Octadecanoyl, Me ester C23H43NO3 381.324294 NA MeJP NA NA +MJ050758 N',N'',N''-Trimethyl-N-(3-methyl-2,4-dodecadienoyl)spermidine, 4',5'-Dihydro C23H47N3O 381.371913 NA MeJP NA NA +MJ050759 1,1,4,4-Tetrabromo-3-buten-2-one C4H2Br4O 381.683915 NA MeJP NA NA +MJ050760 1,3,4,4-Tetrabromo-3-buten-2-one C4H2Br4O 381.683915 NA MeJP NA NA +24 Hemoglobin VVYPWT 381.6895 MH2+ Inhouse_peptide NA peptide +MJ050761 Triiodide(1-) I3(-) 381.72123 NA MeJP NA NA +MJ050762 Psammopemmin A; 6-Bromo C12H9Br2N4O(+) 381.906486 NA MeJP NA NA +MJ050763 Psammopemmin A; 7-Bromo C12H9Br2N4O(+) 381.906486 NA MeJP NA NA +MJ050764 Pyrroxamycin C12H6Cl4N2O4 381.908167 NA MeJP NA NA +MJ050765 Ellagic acid; 2-O-Sulfate C14H6O11S 381.963081 NA MeJP NA NA +MJ050766 1,6,8-Trihydroxy-3-methylanthraquinone-2-carboxylic acid; 5,7-Dichloro C16H8Cl2O7 381.964708 NA MeJP NA NA +MJ050767 Bismuth sodium tartrate C4H6BiNaO6 381.98659 NA MeJP NA NA +FL3FAGNSS001 Tricetin 3'-sulfate C15H10O10S 381.99946 59176-59-9 knapsack NA NA +FL3FECNSS001 6-Hydroxyluteolin 7-sulfate C15H10O10S 381.99946 111509-45-6 knapsack NA NA +FL3FECNSS002 6-Hydroxyluteolin 6-sulfate C15H10O10S 381.99946 111509-44-5 knapsack NA NA +FL3FFCNSS001 8-Hydroxyluteolin 7-sulfate C15H10O10S 381.99946 56857-58-0 knapsack NA NA +FL5FACNSS001 Quercetin 3-O-sulfate C15H10O10S 381.99946 60889-05-6 knapsack NA NA +FL5FACNSS002 Quercetin 7-O-sulfate C15H10O10S 381.99946 - knapsack NA NA +FL5FACNSS003 Quercetin 3'-O-sulfate C15H10O10S 381.99946 62369-28-2 knapsack NA NA +MJ050768 3',4',5,5',7-Pentahydroxyflavone; 3'-O-Sulfate C15H10O10S 381.999467 NA MeJP NA NA +MJ050769 3',4',5,6,7-Pentahydroxyflavone; 6-O-Sulfate C15H10O10S 381.999467 NA MeJP NA NA +MJ050770 3',4',5,6,7-Pentahydroxyflavone; 7-O-Sulfate C15H10O10S 381.999467 NA MeJP NA NA +MJ050771 3',4',5,7,8-Pentahydroxyflavone; 8-O-Sulfate C15H10O10S 381.999467 NA MeJP NA NA +MJ050772 3,3',4',5,7-Pentahydroxyflavone; 3'-O-Sulfate C15H10O10S 381.999467 NA MeJP NA NA +MJ050773 3,3',4',5,7-Pentahydroxyflavone; 3-O-Sulfate C15H10O10S 381.999467 NA MeJP NA NA +MJ050774 3,4',5,6,7-Pentahydroxyflavone; 3-Sulfate C15H10O10S 381.999467 NA MeJP NA NA +MJ050775 3,4',5,6,7-Pentahydroxyflavone; 7-Sulfate C15H10O10S 381.999467 NA MeJP NA NA +MetaCyc03288 quercetin 3-sulfate [] C15H10O10S1 381.999467 NA metacyc NA NA +C00616 Quercetin 3-sulfate C15H10O10S 381.9995 NA KEGG NA NA +MJ050776 Eriodermin C17H12Cl2O6 382.001093 NA MeJP NA NA +MJ050777 Pannarin; 7-Chloro, O-de-Me C17H12Cl2O6 382.001093 NA MeJP NA NA +MJ050778 Rogiolenyne B C15H21BrCl2O2 382.010197 NA MeJP NA NA +MJ050779 Rogioloxepane C C15H21BrCl2O2 382.010197 NA MeJP NA NA +MJ050780 Palmarumycin C7 C20H11ClO6 382.024415 NA MeJP NA NA +MJ050781 Vicanicin C18H16Cl2O5 382.037479 NA MeJP NA NA +MJ050782 Mefruside C13H19ClN2O5S2 382.04239 NA MeJP NA NA +MJ050783 Osoic acid; 3'-Chloro, 3-Me ether, 1-Me ester C17H15ClO8 382.045545 NA MeJP NA NA +MJ050784 Osoic acid; 4-Chloro, 3-Me ether, 1-Me ester C17H15ClO8 382.045545 NA MeJP NA NA +MJ050785 Osoic acid; 4-Chloro, 5-Me ether, 1-Me ester C17H15ClO8 382.045545 NA MeJP NA NA +MJ050786 Osoic acid; 5'-Chloro, 3-Me ether, 1-Me ester C17H15ClO8 382.045545 NA MeJP NA NA +MJ050787 Glufosfamide C10H21Cl2N2O7P 382.046342 NA MeJP NA NA +MJ050788 2,3-Dihydroxybenzyl alcohol; O2-?-D-Glucopyranoside, O1'-sulfate C13H18O11S 382.056982 NA MeJP NA NA +MJ050789 Ritolukast C17H13F3N2O3S 382.059897 NA MeJP NA NA +FLIFHXNF0005 12a-Hydroxypachyrrhizone C20H14O8 382.06886 28768-44-7 knapsack NA NA +MJ050790 12a-Hydroxypachyrrhizone C20H14O8 382.068867 NA MeJP NA NA +MJ050791 Bikaverin C20H14O8 382.068867 NA MeJP NA NA +MJ050792 Ipomopsin C20H14O8 382.068867 NA MeJP NA NA +MJ050793 Preussomerin A; 3?,3'?-Dihydroxy, 2,3-deepoxy, 2',3'-dihydro, 1,1'-diketone C20H14O8 382.068867 NA MeJP NA NA +C10306 Bikaverin C20H14O8 382.0689 NA KEGG NA NA +C12416 Nogalonic acid C20H14O8 382.0689 NA KEGG NA NA +MJ050794 Bactobolin A C14H20Cl2N2O6 382.069841 NA MeJP NA NA +MJ050795 3,4-Methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Alanine amide C19H14N2O7 382.0801 NA MeJP NA NA +MJ050796 5-[5-[2,6-Dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl]-3-methylisoxazole C18H20Cl2N2O3 382.085097 NA MeJP NA NA +C06493 WIN54954 C18H20Cl2N2O3 382.0851 NA KEGG NA NA +MJ050797 Glucose 3-nitropropanoates; 2,6-Bis-(3-nitropropanoyl)-?-D-glucopyranose C12H18N2O12 382.085974 NA MeJP NA NA +MJ050798 Glucose 3-nitropropanoates; Bis-O-(3-nitropropanoyl)-D-glucopyranose (3) C12H18N2O12 382.085974 NA MeJP NA NA +MJ050799 Glucose 3-nitropropanoates; Bis-O-(3-nitropropanoyl)-D-glucopyranose (4) C12H18N2O12 382.085974 NA MeJP NA NA +MJ050800 Glucose 3-nitropropanoates; Bis-O-(3-nitropropanoyl)-D-glucopyranose (5) C12H18N2O12 382.085974 NA MeJP NA NA +C08473 Cibarian C12H18N2O12 382.086 NA KEGG NA NA +C08474 Coronarian C12H18N2O12 382.086 NA KEGG NA NA +MJ050801 Borax B4H20Na2O17 382.08681 NA MeJP NA NA +MJ050802 6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(6-O-Acetyl-?-D-glucopyranoside) C17H18O10 382.089996 NA MeJP NA NA +MJ050803 7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid; 7-O-?-D-Glucopyranoside C17H18O10 382.089996 NA MeJP NA NA +PJ000718 GTCC C12H22N4O6S2 382.0981 NA PeJP NA NA +MJ050804 Deutziol; 7?-Chloro C15H23ClO9 382.10306 NA MeJP NA NA +MJ050805 Stegioside I C15H23ClO9 382.10306 NA MeJP NA NA +MJ050806 Ferrotrenine C12H26FeN2O8 382.103857 NA MeJP NA NA +FL3FRNNF0003 Artonin K;5a,6-Dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-5H,7H-benzofuro[3,4-bc]xanthen-7-one C21H18O7 382.10525 148719-61-3 knapsack NA NA +FL3FRNNR0002 Artoindonesianin T;5,6-Dihydro-1,4,8,10-tetrahydroxy-3-methoxy-5-(1-methylethenyl)-7H-benzo[c]xanthen-7-one C21H18O7 382.10525 502718-06-1 knapsack NA NA +FL5FAENF0001 Velloquercetin 4'-methyl ether C21H18O7 382.10525 139955-64-9 knapsack NA NA +FL5FDCNF0001 Velloquercetin 3-methyl ether C21H18O7 382.10525 148335-02-8 knapsack NA NA +FL5FDCNP0001 Sarothranol;8-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one C21H18O7 382.10525 149415-60-1 knapsack NA NA +FL5FF9NI0002 8-Hydroxygalangin 3-methyl ether 8-angelate C21H18O7 382.10525 128508-15-6 knapsack NA NA +FL5FF9NI0003 3,5,7-Trihydroxy-8-methoxyflavone 3-angelate C21H18O7 382.10525 122585-70-0 knapsack NA NA +FL5FF9NI0006 5,7,8-Trihydroxy-3-methoxyflavone 8-((E)-2-methylbut-2-enoate);(2E)-5,7-Dihydroxy-3-methoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid C21H18O7 382.10525 221231-14-7 knapsack NA NA +FLIDHXNF0007 Hildecarpidin C21H18O7 382.10525 111010-27-6 knapsack NA NA +FLIFHXNF0004 Neobanone;12a-Methoxyerosone C21H18O7 382.10525 61419-05-4 knapsack NA NA +FLIG1LNI0001 Lisetin C21H18O7 382.10525 6502-79-0 knapsack NA NA +MJ050807 1,6:4,5-Diepoxy-2,3-dihydroxy-1-cyclohexanemethanol, 1',3-Dibenzoyl C21H18O7 382.105252 NA MeJP NA NA +MJ050808 12a-Hydroxyerosone; Me ether C21H18O7 382.105252 NA MeJP NA NA +MJ050809 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b':3,4-b']dipyran-4-one; 3-Me ether C21H18O7 382.105252 NA MeJP NA NA +MJ050810 2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1-Ketone, 1',4-dibenzoyl C21H18O7 382.105252 NA MeJP NA NA +MJ050811 3,5,7,8-Tetrahydroxyflavone; 3-Me ether, 8-angeloyl C21H18O7 382.105252 NA MeJP NA NA +MJ050812 3,5,7,8-Tetrahydroxyflavone; 3-Me ether, 8-tigloyl C21H18O7 382.105252 NA MeJP NA NA +MJ050813 3-(2-Ethyl-2-butenyl)-9,10-dihydro-1,6,8-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acid C21H18O7 382.105252 NA MeJP NA NA +MJ050814 4,5,6-Trihydroxy-6-(hydroxymethyl)-2-cyclohexen-1-one, 1',4-Dibenzoyl C21H18O7 382.105252 NA MeJP NA NA +MJ050815 ?-Isoderrubone; 3?-Hydroxy C21H18O7 382.105252 NA MeJP NA NA +MJ050816 Anisolactone; 2',3'-Epoxide C21H18O7 382.105252 NA MeJP NA NA +MJ050817 Artonin K C21H18O7 382.105252 NA MeJP NA NA +MJ050818 Auramycin A; Aglycone, 4-Deoxy C21H18O7 382.105252 NA MeJP NA NA +MJ050819 Austrobailignan 1 C21H18O7 382.105252 NA MeJP NA NA +MJ050820 Daunomycin; Aglycone, 10-deoxy C21H18O7 382.105252 NA MeJP NA NA +MJ050821 Grandiflorone C21H18O7 382.105252 NA MeJP NA NA +MJ050822 Hildecarpidin C21H18O7 382.105252 NA MeJP NA NA +MJ050823 Lisetin C21H18O7 382.105252 NA MeJP NA NA +MJ050824 Mitorubrin C21H18O7 382.105252 NA MeJP NA NA +MJ050825 Mollicellin A C21H18O7 382.105252 NA MeJP NA NA +MJ050826 Mollicellin B C21H18O7 382.105252 NA MeJP NA NA +MJ050827 Piscidanone C21H18O7 382.105252 NA MeJP NA NA +MJ050828 Salothranol C21H18O7 382.105252 NA MeJP NA NA +MJ050829 Velloquercetin; 3-Me ether C21H18O7 382.105252 NA MeJP NA NA +MJ050830 Velloquercetin; 4'-Me ether C21H18O7 382.105252 NA MeJP NA NA +C10546 Austrobailignan 1 C21H18O7 382.1053 NA KEGG NA NA +C12420 12-Deoxyaklanonic acid C21H18O7 382.1053 NA KEGG NA NA +PJ000719 SSSC C12H22N4O8S 382.1158 NA PeJP NA NA +MJ050831 15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2-Methylpropenoyl) C19H23ClO6 382.118316 NA MeJP NA NA +MJ050832 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(3-Chloro-2-hydroxy-2-methylpropanoyl) C19H23ClO6 382.118316 NA MeJP NA NA +MJ050833 Securamine C; Debromo C20H19ClN4O2 382.119653 NA MeJP NA NA +MJ050834 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Formyl, 8-Ac C18H22O9 382.126382 NA MeJP NA NA +MJ050835 3-O-Caffeoylquinic acid, 3'-Me ether, Me ester C18H22O9 382.126382 NA MeJP NA NA +MJ050836 5,7-Dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 7-O-(4-Methyl-?-D-glucopyranoside) C18H22O9 382.126382 NA MeJP NA NA +MJ050837 5-O-Caffeoylquinic acid, 3'-Me ether, Me ester C18H22O9 382.126382 NA MeJP NA NA +MJ050838 6-Glucosyl-5,7-dihydroxy-2-isopropyl-4H-1-benzopyran-4-one C18H22O9 382.126382 NA MeJP NA NA +MJ050839 8-?-D-Glucopyranosyl-5,7-dihydroxy-2-isopropyl-4H-1-benzopyran-4-one C18H22O9 382.126382 NA MeJP NA NA +MJ050840 8-Glucosyl-5,7-dihydroxy-2-isopropyl-4H-1-benzopyran-4-one C18H22O9 382.126382 NA MeJP NA NA +MJ050841 Olguine C18H22O9 382.126382 NA MeJP NA NA +MJ050842 Rhamnose; ?-L-Pyranose-form, 2-O-(4-Hydroxy-3-methoxycinnamoyl)(E-), 3-Ac C18H22O9 382.126382 NA MeJP NA NA +MJ050843 Rhamnose; ?-L-Pyranose-form, 2-O-(4-Hydroxy-3-methoxycinnamoyl)(E-), 4-Ac C18H22O9 382.126382 NA MeJP NA NA +C00448 trans,trans-Farnesyl diphosphate C15H28O7P2 382.131 NA KEGG NA NA +C06111 Nerolidyl diphosphate C15H28O7P2 382.131 NA KEGG NA NA +C06112 L-Glutamyl-tRNA(Gln) C20H28N6O13PR 382.131 NA KEGG NA NA +C06113 L-Aspartyl-tRNA(Asn) C14H22NO13PR2 382.131 NA KEGG NA NA +C16826 2-cis,6-trans-Farnesyl diphosphate C15H28O7P2 382.131 NA KEGG NA NA +HMDB00961 Farnesyl pyrophosphate C15H28O7P2 382.131012 NA HMDB2010 NA NA +MJ050844 trans,trans-Farnesyl diphosphate C15H28O7P2 382.131026 NA MeJP NA NA +MetaCyc03289 trans, trans-farnesyl diphosphate [FPP;farnesyl pyrophosphate;farnesyl-PP;farnesyl diphosphate;2-trans,6-trans-farnesyl diphosphate;] C15H28O7P2 382.131026 13058-04-3 metacyc NA NA +HMDB00961 Farnesyl pyrophosphate C15H28O7P2 382.13104 http://www.hmdb.ca/metabolites/HMDB00961 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00961 Farnesyl pyrophosphate C15H28O7P2 382.13104 http://www.hmdb.ca/metabolites/HMDB00961 HMDB NA NA +HMDB00961 Farnesyl pyrophosphate C15H28O7P2 382.13104 http://www.hmdb.ca/metabolites/HMDB00961 PFEM_hmdb_metabocards_blood NA blood +HMDB00961 Farnesyl pyrophosphate C15H28O7P2 382.13104 HMDB00961 PFEM_hmdb_metabocards_official NA NA +PJ000720 CNF C16H22N4O5S 382.1311 NA PeJP NA NA +MJ050845 16-Iodohexadecanoic acid C16H31IO2 382.136873 NA MeJP NA NA +C17765 Licoricone C22H22O6 382.1416 NA KEGG NA NA +FL2F2CNI0001 Ponganone V;7-Methoxy-6-O-prenyl-3',4'-methylenedioxyflavanone C22H22O6 382.14163 142608-91-1 knapsack NA NA +FL2FACNF0002 Abyssinoflavanone IV;5,7,3'-Trihydroxy-2'-prenyl-[2'',3'':4',5']furanoflavanone C22H22O6 382.14163 201535-05-9 knapsack NA NA +FL3FALNI0019 Artocarpetin B;5-Hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C22H22O6 382.14163 170894-22-1 knapsack NA NA +FL4DA9NI0005 3,5,7-Trihydroxy-6-prenylflavanone 3-acetate C22H22O6 382.14163 89648-70-4 knapsack NA NA +FLIA1LNI0002 Licoricone C22H22O6 382.14163 51847-92-8 knapsack NA NA +FLIAAFNI0001 Piscerythrinetin;5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylisoflavone C22H22O6 382.14163 126484-16-0 knapsack NA NA +FLIABENI0001 7,3'-Dihydroxy-5,4'-dimethoxy-5'-prenylisoflavone C22H22O6 382.14163 132587-59-8 knapsack NA NA +FLID3CNI0001 Neoraucarpanol;3-Hydroxy-4-methoxy-8,9-methylenedioxy-2-prenylpterocarpan C22H22O6 382.14163 63343-95-3 knapsack NA NA +FLIDBCNP0001 Neorautanin C22H22O6 382.14163 63343-93-1 knapsack NA NA +FLIDBDNP0001 Desmodin C22H22O6 382.14163 56257-27-3 knapsack NA NA +FLIHALNI0001 Glycyrin;3-(2,4-Dihydroxyphenyl)-5,7-dimethoxy-6-prenylcoumarin C22H22O6 382.14163 66056-18-6 knapsack NA NA +MJ050846 2',4',5,7-Tetrahydroxy-8-prenylflavone; 2',7-Di-Me ether C22H22O6 382.141638 NA MeJP NA NA +MJ050847 2',4',6',7-Tetrahydroxy-3'-prenylisoflavone; 2',4'-Di-Me ether C22H22O6 382.141638 NA MeJP NA NA +MJ050848 3',4',5,7-Tetrahydroxy-5'-prenylisoflavone; 3',4'-Di-Me ether C22H22O6 382.141638 NA MeJP NA NA +MJ050849 3',4',5,7-Tetrahydroxy-5'-prenylisoflavone; 4',5-Di-Me ether C22H22O6 382.141638 NA MeJP NA NA +MJ050850 3',4',6,7-Tetrahydroxyflavanone, 7-Me ether, 6-O-(3-methyl-2-butenyl), 3',4'-methylene ether C22H22O6 382.141638 NA MeJP NA NA +MJ050851 3,5,7-Trihydroxy-6-prenylflavanone, 3-Ac C22H22O6 382.141638 NA MeJP NA NA +MJ050852 Glycyrin C22H22O6 382.141638 NA MeJP NA NA +MJ050853 Kanzonol O C22H22O6 382.141638 NA MeJP NA NA +MJ050854 Languiduline C22H22O6 382.141638 NA MeJP NA NA +MJ050855 Neoraucarpanol C22H22O6 382.141638 NA MeJP NA NA +MJ050856 Neorautane; 14-Methoxy C22H22O6 382.141638 NA MeJP NA NA +MJ050857 Neorautenol; 9,13-Dimethoxy C22H22O6 382.141638 NA MeJP NA NA +MJ050858 Tepurindiol C22H22O6 382.141638 NA MeJP NA NA +MJ050859 Loratadine C22H23ClN2O2 382.144805 NA MeJP NA NA +HMDB05000 Loratadine C22H23ClN2O2 382.144806 NA HMDB2010 NA NA +HMDB05000 Loratadine C22H23ClN2O2 382.14481 http://www.hmdb.ca/metabolites/HMDB05000 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05000 Loratadine C22H23ClN2O2 382.14481 http://www.hmdb.ca/metabolites/HMDB05000 HMDB NA NA +HMDB05000 Loratadine C22H23ClN2O2 382.14481 http://www.hmdb.ca/metabolites/HMDB05000 PFEM_hmdb_metabocards_blood NA blood +HMDB05000 Loratadine C22H23ClN2O2 382.14481 HMDB05000 PFEM_hmdb_metabocards_official NA NA +C08359 2-Methoxyestradiol-17beta 3-sulfate C19H26O6S 382.145 NA KEGG NA NA +MJ050860 Fukinolidiol; 1-(3-Methylsulfinyl-2-propenoyl) C19H26O6S 382.145009 NA MeJP NA NA +MJ050861 Fukinolidiol; 9-(3-Methylsulfinyl-2-propenoyl) C19H26O6S 382.145009 NA MeJP NA NA +PJ000721 SNY C16H22N4O7 382.1489 NA PeJP NA NA +MJ050862 15-Bromo-9(11)-parguerene-7,16-diol C20H31BrO2 382.150742 NA MeJP NA NA +MJ050863 2-Bromo-7,11(18),13-obtusatriene-3,9-diol C20H31BrO2 382.150742 NA MeJP NA NA +MJ050864 Aplysiadiol C20H31BrO2 382.150742 NA MeJP NA NA +MJ050865 Kahukuene A C20H31BrO2 382.150742 NA MeJP NA NA +MJ050866 Alkaloid Us 7 C21H22N2O5 382.152871 NA MeJP NA NA +MJ050867 Bulbocapnine, Me ether, N-de-Me, N-(N-methylcarbamoyl) C21H22N2O5 382.152871 NA MeJP NA NA +MJ050868 Kopsinitarine A; Decarbomethoxy, 14,15-dihydro, 15?-hydroxy C21H22N2O5 382.152871 NA MeJP NA NA +MJ050869 Methyl 1,2-didehydro-6,7-epoxy-3-hydroxy-8-oxoaspidospermidine-3-carboxylate C21H22N2O5 382.152871 NA MeJP NA NA +MetaCyc03290 partly acetylated chitosan [] C14H26N2O10 382.158745 NA metacyc NA NA +MJ050870 1,3,4,13-Tetrahydroxy-7(11)-eudesmen-12,6-olide, 3,13-Di-Ac C19H26O8 382.162767 NA MeJP NA NA +MJ050871 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1,13-Di-Me ether, 10-Ac C19H26O8 382.162767 NA MeJP NA NA +MJ050872 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1,13-Di-Me ether, 8-Ac C19H26O8 382.162767 NA MeJP NA NA +MJ050873 1,6,8-Trihydroxy-15-nor-4-oxo-11(13)-eudesmen-12-oic acid, 8-(3-Hydroxy-2-methylenepropanoyl), Me ester C19H26O8 382.162767 NA MeJP NA NA +MJ050874 10-Hydroperoxy-2,5-dihydroxy-3,11(13)-germacradien-12,8-olide, Di-Ac C19H26O8 382.162767 NA MeJP NA NA +MJ050875 2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 6,9-Di-Ac C19H26O8 382.162767 NA MeJP NA NA +MJ050876 3,4,8,15-Scirpenetetrol, 4,8-Di-Ac C19H26O8 382.162767 NA MeJP NA NA +MJ050877 3,7,8,15-Scirpenetetrol; 3,15-Di-Ac C19H26O8 382.162767 NA MeJP NA NA +MJ050878 4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(2-Methylpropanoyl) C19H26O8 382.162767 NA MeJP NA NA +MJ050879 6,10-Epoxy-4,8,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 13-Et ether, 8-Ac C19H26O8 382.162767 NA MeJP NA NA +MJ050880 Eurylactone A C19H26O8 382.162767 NA MeJP NA NA +MJ050881 Neosolaniol C19H26O8 382.162767 NA MeJP NA NA +MJ050882 Picrodendrin K C19H26O8 382.162767 NA MeJP NA NA +MJ050883 Pterosin T; 14-Deoxy, 5?-hydroxy, 10-O-?-L-arabinopyranoside C19H26O8 382.162767 NA MeJP NA NA +HMDB10343 1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid C19H26O8 382.162781 NA HMDB2010 NA NA +MJ050884 1,3-Dipropyl-8-(4-acrylate)phenylxanthine C20H22N4O4 382.164105 NA MeJP NA NA +MJ050885 (1-Butyl-4-piperidinyl)methyl 8-amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-carboxylate C19H27ClN2O4 382.165935 NA MeJP NA NA +MJ050886 Alpiropride C17H26N4O4S 382.167476 NA MeJP NA NA +MJ050887 Talnetant C25H22N2O2 382.168127 NA MeJP NA NA +MJ050888 Aprophit C22H26N2O2S 382.171498 NA MeJP NA NA +MJ050889 Eletriptan C22H26N2O2S 382.171498 NA MeJP NA NA +MJ050890 1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(Phenylacetyl) C23H26O5 382.178023 NA MeJP NA NA +MJ050891 1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 8-(Phenylacetyl) C23H26O5 382.178023 NA MeJP NA NA +MJ050892 2,3',4,6-Tetrahydroxy-2',3-diprenylbenzophenone C23H26O5 382.178023 NA MeJP NA NA +MJ050893 5-Methoxy-2,2-dimethyl-6-(2-methyl-1-oxo-2-butenyl)-10-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one C23H26O5 382.178023 NA MeJP NA NA +MJ050894 Antibiotic FD 549 C23H26O5 382.178023 NA MeJP NA NA +MJ050895 Bergamottin; 5'-Ethoxy C23H26O5 382.178023 NA MeJP NA NA +MJ050896 Garuganin VI C23H26O5 382.178023 NA MeJP NA NA +MJ050897 Isovismiaphenone B; 3,4-Dihydro, 3-hydroxy C23H26O5 382.178023 NA MeJP NA NA +MJ050898 Monascorubrin C23H26O5 382.178023 NA MeJP NA NA +MJ050899 Ochrephilone C23H26O5 382.178023 NA MeJP NA NA +MJ050900 Rotenonic acid C23H26O5 382.178023 NA MeJP NA NA +MJ050901 Tomentonone C23H26O5 382.178023 NA MeJP NA NA +MJ050902 Vismiaguianone B C23H26O5 382.178023 NA MeJP NA NA +MJ050903 Vismiaguianone C C23H26O5 382.178023 NA MeJP NA NA +MJ050904 Xuulanin; 3?-Methoxy C23H26O5 382.178023 NA MeJP NA NA +MJ050905 Umbraculumin C C20H30O5S 382.181394 NA MeJP NA NA +MJ050906 10-Hydroxylinalyl oxide, 1,2-Dihydro, 1,2-dihydroxy, 7-O-?-D-glucopyranoside C16H30O10 382.183897 NA MeJP NA NA +7997 synthetic peptide LHN 382.1849 anticancer Inhouse_peptide NA peptide +MJ050907 17-Oxolupanine; 13-Benzoyloxy C22H26N2O4 382.189257 NA MeJP NA NA +MJ050908 Adirubine; 17-Deoxy, 16,17-didehydro C22H26N2O4 382.189257 NA MeJP NA NA +MJ050909 Ajmalicine, 10-Methoxy C22H26N2O4 382.189257 NA MeJP NA NA +MJ050910 Akuammiline; 10-Methoxy, O-de-Ac C22H26N2O4 382.189257 NA MeJP NA NA +MJ050911 Akuammine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050912 Aricine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050913 Chairamidine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050914 Chairamine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050915 Chanofruticosine methyl ester; 12-Methoxy, N1-de(methoxycarbonyl) C22H26N2O4 382.189257 NA MeJP NA NA +MJ050916 Cimicidine; 16-Demethoxy C22H26N2O4 382.189257 NA MeJP NA NA +MJ050917 Conchairamidine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050918 Conchairamine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050919 Correantine A C22H26N2O4 382.189257 NA MeJP NA NA +MJ050920 Corymine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050921 Corynoxeine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050922 Dippinine C C22H26N2O4 382.189257 NA MeJP NA NA +MJ050923 Ervatamine; 19,20-Didehydro, N1-methoxy C22H26N2O4 382.189257 NA MeJP NA NA +MJ050924 Gardneramine; 18-Demethoxy, (19E)-isomer C22H26N2O4 382.189257 NA MeJP NA NA +MJ050925 Henningsoline; 12-Deoxy C22H26N2O4 382.189257 NA MeJP NA NA +MJ050926 Herbamine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050927 Heyneatine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050928 Holstiine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050929 Isocorymine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050930 Isovoacangine; 3-Oxo C22H26N2O4 382.189257 NA MeJP NA NA +MJ050931 Kopsinone; 10-Methoxy, 14,15-dihydro C22H26N2O4 382.189257 NA MeJP NA NA +MJ050932 Lanceomigine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050933 Lochnerinine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050934 Melinonine L C22H26N2O4 382.189257 NA MeJP NA NA +MJ050935 Methyl 16,17-didehydromethoxy-19-methyloxayohimban-16-carboxylate C22H26N2O4 382.189257 NA MeJP NA NA +MJ050936 Mitrajavine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050937 Obovamine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050938 Paynantheine; O9-De-Me C22H26N2O4 382.189257 NA MeJP NA NA +MJ050939 Picraline; O-De-Ac, Na-Me C22H26N2O4 382.189257 NA MeJP NA NA +MJ050940 Picraphylline C22H26N2O4 382.189257 NA MeJP NA NA +MJ050941 Picrinine; ar-Methoxy, Na-Me C22H26N2O4 382.189257 NA MeJP NA NA +MJ050942 Polyneuridine; 3-Hydroxy, N1-Me C22H26N2O4 382.189257 NA MeJP NA NA +MJ050943 Reserpinine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050944 Strictamine; 5?,10-Dimethoxy C22H26N2O4 382.189257 NA MeJP NA NA +MJ050945 Strychnobrasiline; 14?-Hydroxy C22H26N2O4 382.189257 NA MeJP NA NA +MJ050946 Tabersonine, 10-Hydroxy, 11-methoxy C22H26N2O4 382.189257 NA MeJP NA NA +MJ050947 Tabersonine, 19-Hydroxy, 11-methoxy C22H26N2O4 382.189257 NA MeJP NA NA +MJ050948 Tofisoline C22H26N2O4 382.189257 NA MeJP NA NA +MJ050949 Tofisopam C22H26N2O4 382.189257 NA MeJP NA NA +MJ050950 Tsilanine; O-De-Me, 10-methoxy C22H26N2O4 382.189257 NA MeJP NA NA +MJ050951 Vallesamine, O-Ac C22H26N2O4 382.189257 NA MeJP NA NA +MJ050952 Vandrikine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050953 Vincadiffine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050954 Vincamine, 11-Methoxy, 14,15-didehydro C22H26N2O4 382.189257 NA MeJP NA NA +MJ050955 Vincamine, 12-Methoxy, 14,15-didehydro C22H26N2O4 382.189257 NA MeJP NA NA +MJ050956 Vincamine, 16-Epimer, 11-methoxy, 14,15-didehydro C22H26N2O4 382.189257 NA MeJP NA NA +MJ050957 Vincoline; 19-Epimer, Me ether C22H26N2O4 382.189257 NA MeJP NA NA +MJ050958 Vincoline; Me ether C22H26N2O4 382.189257 NA MeJP NA NA +MJ050959 Vincorine; N-De-Me, N-formyl C22H26N2O4 382.189257 NA MeJP NA NA +MJ050960 Voacafrine C22H26N2O4 382.189257 NA MeJP NA NA +MJ050961 Voacangine; 19-Oxo C22H26N2O4 382.189257 NA MeJP NA NA +MJ050962 Voacangine; 3,6-Epoxide C22H26N2O4 382.189257 NA MeJP NA NA +MJ050963 Voacangine; 3-Oxo C22H26N2O4 382.189257 NA MeJP NA NA +MJ050964 Voachalotine oxindole C22H26N2O4 382.189257 NA MeJP NA NA +MJ050965 Voacoline C22H26N2O4 382.189257 NA MeJP NA NA +C09027 Akuammine C22H26N2O4 382.1893 NA KEGG NA NA +C09037 Aricine C22H26N2O4 382.1893 NA KEGG NA NA +C10904 Cabucine C22H26N2O4 382.1893 NA KEGG NA NA +C10905 Activated methyl group C22H26N2O4 382.1893 NA KEGG NA NA +C11812 Lochnerinine C22H26N2O4 382.1893 NA KEGG NA NA +8054 synthetic peptide RHA 382.196 antioxidative Inhouse_peptide NA peptide +PJ000722 VQH C16H26N6O5 382.1965 NA PeJP NA NA +MJ050966 Sumarotene C24H30O2S 382.19665 NA MeJP NA NA +MJ050967 2,11,13-Trihydroxy-4-oxo-12,8-pseudoguaianolide, 2-(2R-Methylbutanoyl) C20H30O7 382.199153 NA MeJP NA NA +MJ050968 2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 2-O-(2-Methylbutanoyl) C20H30O7 382.199153 NA MeJP NA NA +MJ050969 3,10-Epoxy-1,3,8-trihydroxy-11(13)-germacren-12,6-olide, 8-(2-Methylbutanoyl) C20H30O7 382.199153 NA MeJP NA NA +MJ050970 3,4,11-Trihydroxy-6-eudesmen-8-one, 11-Hydroperoxide, 3-(2,3-epoxy-2-methylbutanoyl) C20H30O7 382.199153 NA MeJP NA NA +MJ050971 3,4,8,15-Scirpenetetrol, 8-(3-Methylbutanoyl) C20H30O7 382.199153 NA MeJP NA NA +MJ050972 6,8,15-Trihydroxy-1,3,11(13)-elematrien-12-oic acid, 8-(3-Hydroxy-2R-methylpropanoyl), Me ester C20H30O7 382.199153 NA MeJP NA NA +MJ050973 6,8,15-Trihydroxy-1,3,11(13)-elematrien-12-oic acid, 8-(3-Hydroxy-2S-methylpropanoyl), Me ester C20H30O7 382.199153 NA MeJP NA NA +MJ050974 7,20-Epoxy-1,6,7,11,16-pentahydroxy-15-kauranone C20H30O7 382.199153 NA MeJP NA NA +MJ050975 9,11,16,17-Tetrahydroxy-15-oxo-19-kauranoic acid C20H30O7 382.199153 NA MeJP NA NA +MJ050976 9,13-Epidioxy-2,6,19-trihydroxy-8(17)-labden-15,16-olide C20H30O7 382.199153 NA MeJP NA NA +MJ050977 Antibiotic A 26771B C20H30O7 382.199153 NA MeJP NA NA +MJ050978 Chaparrin; 3,4?-Dihydro C20H30O7 382.199153 NA MeJP NA NA +MJ050979 Cinncassiol A C20H30O7 382.199153 NA MeJP NA NA +MJ050980 Cinncassiol C3 C20H30O7 382.199153 NA MeJP NA NA +MJ050981 Javanicin V; 14-Hydroxy C20H30O7 382.199153 NA MeJP NA NA +C17641 Cinncassiol C3 C20H30O7 382.1992 NA KEGG NA NA +C17645 Cinncassiol A C20H30O7 382.1992 NA KEGG NA NA +MJ050982 [1-[[2-(Benzoylamino)-1-oxo-3-phenylpropyl]amino]-3-methylbutyl]boronic acid C21H27BN2O4 382.206387 NA MeJP NA NA +PJ000723 AHR C15H26N8O4 382.2077 NA PeJP NA NA +MJ050983 Zoamides; !Zoamide A C20H26N6O2 382.211724 NA MeJP NA NA +C09056 Ammoresinol C24H30O4 382.2144 NA KEGG NA NA +MJ050984 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-(2-Furoyl) C24H30O4 382.214409 NA MeJP NA NA +MJ050985 3(15),6-Caryophylladiene-5,9-diol, 9-Benzoyl, 5-Ac C24H30O4 382.214409 NA MeJP NA NA +MJ050986 3,4-Bis(4-hydroxyphenyl)hexane, Dipropanoyl C24H30O4 382.214409 NA MeJP NA NA +MJ050987 3,8-Dihydro-6,6';7,3'a-diligustilide C24H30O4 382.214409 NA MeJP NA NA +MJ050988 3-(4,8-Dimethyl-3,7-nonadienyl)-2,3-dihydro-7-hydroxy-2,3-dimethyl-4H-furo[3,2-c]benzopyran-4-one C24H30O4 382.214409 NA MeJP NA NA +MJ050989 3-Hydroperoxy-4-eudesmene-1,6-diol, 3-Ketone, 6-cinnamoyl C24H30O4 382.214409 NA MeJP NA NA +MJ050990 4,6-Dihydroxy-7-daucen-9-one, 6-Cinnamoyl (E-) C24H30O4 382.214409 NA MeJP NA NA +MJ050991 7-Hydroxy-2H-1-benzopyran-2-one; Glycoside C24H30O4 382.214409 NA MeJP NA NA +MJ050992 Ammoresinol C24H30O4 382.214409 NA MeJP NA NA +MJ050993 Cyclomyltaylan-3-ol; 3,4-Dihydroxycinnamoyl C24H30O4 382.214409 NA MeJP NA NA +MJ050994 Farnesiferol B C24H30O4 382.214409 NA MeJP NA NA +MJ050995 Farnesiferol C C24H30O4 382.214409 NA MeJP NA NA +MJ050996 Ferchromone C24H30O4 382.214409 NA MeJP NA NA +MJ050997 Ferulenol; 12'-Hydroxy C24H30O4 382.214409 NA MeJP NA NA +MJ050998 Ferulenol; 15'-Hydroxy C24H30O4 382.214409 NA MeJP NA NA +MJ050999 Ferulenol; 5'-Hydroxy C24H30O4 382.214409 NA MeJP NA NA +MJ051000 Foetidin C24H30O4 382.214409 NA MeJP NA NA +MJ051001 Gancaonin R C24H30O4 382.214409 NA MeJP NA NA +MJ051002 Gancaonin S C24H30O4 382.214409 NA MeJP NA NA +MJ051003 Kamolol; 3'-Ketone C24H30O4 382.214409 NA MeJP NA NA +MJ051004 Kopetdaghin C24H30O4 382.214409 NA MeJP NA NA +MJ051005 Microlobidene C24H30O4 382.214409 NA MeJP NA NA +MJ051006 O-(3-Hydroxy-7-drimen-11-yl)umbelliferone C24H30O4 382.214409 NA MeJP NA NA +MJ051007 O-(3-Hydroxy-8(12)-drimen-11-yl)umbelliferone C24H30O4 382.214409 NA MeJP NA NA +MJ051008 Senkyunolide P C24H30O4 382.214409 NA MeJP NA NA +PJ000724 GPPL C18H30N4O5 382.2216 NA PeJP NA NA +MJ051009 13-Hydroxylupanine; O-Phenylacetyl C23H30N2O3 382.225642 NA MeJP NA NA +MJ051010 Coronaridine, 3-(2-Hydroxyethyl) C23H30N2O3 382.225642 NA MeJP NA NA +MJ051011 Eglandine; Et ether C23H30N2O3 382.225642 NA MeJP NA NA +MJ051012 Vinpoline C23H30N2O3 382.225642 NA MeJP NA NA +C07412 Pyrvinium C26H28N3 382.2283 NA KEGG NA NA +PJ000725 VKH C17H30N6O4 382.2329 NA PeJP NA NA +C17770 Sarcostin C21H34O6 382.2355 NA KEGG NA NA +MJ051013 11-Dehydro-thromboxane B2 C21H34O6 382.235538 NA MeJP NA NA +MJ051014 11,15,19-Trihydroxy-9-oxoprosta-5,13-dienoic acid, Me ester C21H34O6 382.235538 NA MeJP NA NA +MJ051015 3,11,17,20-Tetrahydroxypregnan-21-oic acid C21H34O6 382.235538 NA MeJP NA NA +MJ051016 3,15-Dihydroxy-4,6,8,14-tetramethyl-5,9-dioxo-10,12-heptadecadienoic acid C21H34O6 382.235538 NA MeJP NA NA +MJ051017 3,6,11,17,21-Pentahydroxypregnan-20-one C21H34O6 382.235538 NA MeJP NA NA +MJ051018 3,8,12,14,17-Pentahydroxypregnan-20-one C21H34O6 382.235538 NA MeJP NA NA +MJ051019 3,8,14,15,16-Pentahydroxypregnan-20-one C21H34O6 382.235538 NA MeJP NA NA +MJ051020 Dimoxaprost C21H34O6 382.235538 NA MeJP NA NA +MJ051021 Lichesteric acid, 13'-Acetoxy C21H34O6 382.235538 NA MeJP NA NA +MJ051022 Pregn-5-ene-3,8,11,12,14,20-hexol C21H34O6 382.235538 NA MeJP NA NA +MJ051023 Pregn-5-ene-3,8,12,14,17,20-hexol C21H34O6 382.235538 NA MeJP NA NA +MJ051024 Proalternaric acid I C21H34O6 382.235538 NA MeJP NA NA +MJ051025 Protopraesorediosic acid C21H34O6 382.235538 NA MeJP NA NA +MJ051026 Stemphyloxin I C21H34O6 382.235538 NA MeJP NA NA +MJ051027 Tetrofosmin C18H40O4P2 382.240182 NA MeJP NA NA +MJ051028 12'-Apo-?-carotene-3,12'-diol; 12'-Aldehyde, 5?,6?-epoxide C25H34O3 382.250794 NA MeJP NA NA +MJ051029 2-Hydroxy-6-(12-phenyldodecyl)benzoic acid C25H34O3 382.250794 NA MeJP NA NA +MJ051030 Artemisia Adduct I C25H34O3 382.250794 NA MeJP NA NA +MJ051031 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-Cyclohexanecarboxylate C25H34O3 382.250794 NA MeJP NA NA +MJ051032 Ophiobolin A; 3-Deoxy, 3,4-didehydro C25H34O3 382.250794 NA MeJP NA NA +MJ051033 Ophiobolin A; 6-Epimer, 3-deoxy, 3,4-didehydro C25H34O3 382.250794 NA MeJP NA NA +MJ051034 Variabilin, 18-Deoxy C25H34O3 382.250794 NA MeJP NA NA +C14044 C25-Allenic-apo-aldehyde C25H34O3 382.2508 NA KEGG NA NA +C14045 C25-Epoxy-apo-aldehyde C25H34O3 382.2508 NA KEGG NA NA +C14046 Transferred to D02261 C25H34O3 382.2508 NA KEGG NA NA +C14047 Transferred to D02262 C25H34O3 382.2508 NA KEGG NA NA +C14048 Transferred to D02263 C25H34O3 382.2508 NA KEGG NA NA +C14049 Transferred to D02264 C25H34O3 382.2508 NA KEGG NA NA +C14050 Transferred to D02265 C25H34O3 382.2508 NA KEGG NA NA +C14051 Transferred to D02266 C25H34O3 382.2508 NA KEGG NA NA +C14052 Transferred to D02267 C25H34O3 382.2508 NA KEGG NA NA +MJ051035 Sinostemonine C21H36NO5 382.259348 NA MeJP NA NA +MJ051036 Euprocin C24H34N2O2 382.262028 NA MeJP NA NA +MJ051037 1,6,10-Phytatriene-3,14,15-triol, 9-Acetoxy C22H38O5 382.271924 NA MeJP NA NA +MJ051038 11,16-Dihydroxy-16-methyl-9-oxo-13-prostenoic acid, Me ester C22H38O5 382.271924 NA MeJP NA NA +MJ051039 3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-(14-methylhexadecanoyl)-2(5H)-furanone C22H38O5 382.271924 NA MeJP NA NA +MJ051040 3-Clerodene-6,15,17,18-tetrol, 17-Ac C22H38O5 382.271924 NA MeJP NA NA +MJ051041 5-Labdene-15,16,18,19-tetrol, 15-Ac C22H38O5 382.271924 NA MeJP NA NA +MJ051042 6,13-Epoxy-4,8,12-eunicellanetriol; 4-Ac C22H38O5 382.271924 NA MeJP NA NA +MJ051043 6,8-Dihydroxy-15-labdanoic acid, Ac C22H38O5 382.271924 NA MeJP NA NA +MJ051044 8,15,18-Labdanetriol, 18-Carboxylic acid, 15-Ac C22H38O5 382.271924 NA MeJP NA NA +MJ051045 Attenol A C22H38O5 382.271924 NA MeJP NA NA +MJ051046 Attenol B C22H38O5 382.271924 NA MeJP NA NA +MJ051047 Misoprostol C22H38O5 382.271924 NA MeJP NA NA +MJ051048 Unoprostone C22H38O5 382.271924 NA MeJP NA NA +MJ051049 Glutamine, N2-(9Z-Hexadecenoyl) C21H38N2O4 382.283157 NA MeJP NA NA +MJ051050 1-(3-Hydroxyphenyl)-14-phenyl-2-tetradecanol C26H38O2 382.28718 NA MeJP NA NA +MJ051051 12-Hydroxy-26,27-dinorergosta-1,4,22-trien-3-one C26H38O2 382.28718 NA MeJP NA NA +MJ051052 2-Polyprenyl-1,4-benzenediol; 2-Tetraprenyl-1,4-benzenediol C26H38O2 382.28718 NA MeJP NA NA +MJ051053 Cacospongin B C26H38O2 382.28718 NA MeJP NA NA +MJ051054 Jaspaquinol C26H38O2 382.28718 NA MeJP NA NA +MJ051055 Pentaran C26H38O2 382.28718 NA MeJP NA NA +MJ051056 Quingestrone C26H38O2 382.28718 NA MeJP NA NA +MJ051057 Bunamidine C25H38N2O 382.298413 NA MeJP NA NA +MJ051058 1,2-Dihydroxy-5-heneicosen-4-one, 1-Ac C23H42O4 382.308309 NA MeJP NA NA +MJ051059 2,6,10-Trimethyltridecanedioic acid; 1-(6-Heptenyl) ester C23H42O4 382.308309 NA MeJP NA NA +MJ051060 4-Acetoxy-3-hexadecyldihydro-5-methyl-2(3H)-furanone C23H42O4 382.308309 NA MeJP NA NA +MJ051061 Amphiasterin B2 C23H42O4 382.308309 NA MeJP NA NA +HMDB11544 MG(0:0/20:2(11Z,14Z)/0:0) C23H42O4 382.308319 NA HMDB2010 NA NA +HMDB11574 MG(20:2(11Z,14Z)/0:0/0:0) C23H42O4 382.308319 NA HMDB2010 NA NA +MJ051062 Cholest-5-en-23-yn-3-ol C27H42O 382.323565 NA MeJP NA NA +MJ051063 Cholesta-4,22-dien-3-one C27H42O 382.323565 NA MeJP NA NA +MJ051064 Cholesta-4,6-dien-3-one C27H42O 382.323565 NA MeJP NA NA +MJ051065 Cholesta-5,20,24-trien-3-ol C27H42O 382.323565 NA MeJP NA NA +MJ051066 Cholesta-5,7,22-trien-3-ol C27H42O 382.323565 NA MeJP NA NA +MJ051067 Cholesta-5,7,24-trien-3-ol C27H42O 382.323565 NA MeJP NA NA +MJ051068 Cholesta-5,7,9(11)-trien-3-ol C27H42O 382.323565 NA MeJP NA NA +MJ051069 Papakusterol C27H42O 382.323565 NA MeJP NA NA +MJ051070 Phycomysterol B C27H42O 382.323565 NA MeJP NA NA +MJ051071 7-Dehydrodesmosterol C27H42O 382.323566 NA MeJP NA NA +MetaCyc03291 vitamin D3 [cholecalciferol;] C27H42O1 382.323566 67-97-0 metacyc NA NA +MetaCyc03292 5α-cholesta-8,24-dien-3-one [] C27H42O1 382.323566 NA metacyc NA NA +HMDB01093 5a-Cholesta-8,24-dien-3-one C27H42O 382.323578 NA HMDB2010 NA NA +HMDB02394 Cholesta-4,6-dien-3-one C27H42O 382.323578 NA HMDB2010 NA NA +HMDB03896 7-Dehydrodesmosterol C27H42O 382.323578 NA HMDB2010 NA NA +HMDB01093 5a-Cholesta-8,24-dien-3-one C27H42O 382.32358 http://www.hmdb.ca/metabolites/HMDB01093 HMDB NA NA +HMDB02394 Cholesta-4,6-dien-3-one C27H42O 382.32358 http://www.hmdb.ca/metabolites/HMDB02394 HMDB NA NA +HMDB03896 7-Dehydrodesmosterol C27H42O 382.32358 http://www.hmdb.ca/metabolites/HMDB03896 HMDB NA NA +HMDB01093 5a-Cholesta-8,24-dien-3-one C27H42O 382.32358 HMDB01093 PFEM_hmdb_metabocards_official NA NA +HMDB02394 Cholesta-4,6-dien-3-one C27H42O 382.32358 HMDB02394 PFEM_hmdb_metabocards_official NA NA +HMDB03896 7-Dehydrodesmosterol C27H42O 382.32358 HMDB03896 PFEM_hmdb_metabocards_official NA NA +C05107 7-Dehydrodesmosterol C27H42O 382.3236 NA KEGG NA NA +C15357 Cholesta-3,5-dien-7-one C27H42O 382.3236 NA KEGG NA NA +EUR401 25-hydroxy vitamin D F1 NA 382.326275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR401 25-hydroxy vitamin D F1 NA 382.326275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR401 25-hydroxy vitamin D F1 NA 382.326275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR401 25-hydroxy vitamin D F1 NA 382.326275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR401 25-hydroxy vitamin D F1 NA 382.326275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR401 25-hydroxy vitamin D F1 NA 382.326275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR401 25-hydroxy vitamin D F1 NA 382.326275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR401 25-hydroxy vitamin D F1 NA 382.326275 standards wishlist analysés sur QTOF HMDB NA NA +EUR401 25-hydroxy vitamin D F1 NA 382.326275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR401 25-hydroxy vitamin D F1 NA 382.326275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR401 25-hydroxy vitamin D F1 NA 382.326275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR401 25-hydroxy vitamin D F1 NA 382.326275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ051072 Buxitrienine C; Deoxy, N20-de-Me C26H42N2 382.334799 NA MeJP NA NA +MJ051073 19-Methyl-18-heneicosene-1,16-diol; 1-Ac C24H46O3 382.344695 NA MeJP NA NA +MJ051074 2-Hydroxy-15-tetracosenoic acid C24H46O3 382.344695 NA MeJP NA NA +MJ051075 7-Hydroxy-8,20-dimethyl-9-docosenoic acid C24H46O3 382.344695 NA MeJP NA NA +C10611 Pithecolobine C22H46N4O 382.3672 NA KEGG NA NA +HMDB02361 Pentacosanoic acid C25H50O2 382.38107 http://www.hmdb.ca/metabolites/HMDB02361 HMDB NA NA +HMDB02361 Pentacosanoic acid C25H50O2 382.38107 HMDB02361 PFEM_hmdb_metabocards_official NA NA +HMDB02361 Pentacosanoic acid C25H50O2 382.381073 NA HMDB2010 NA NA +MJ051076 2,6,10,14,18-Pentamethyl-15-eicosene-2,13-diol C25H50O2 382.38108 NA MeJP NA NA +MJ051077 4,6-Pentacosanedione; 4-Alcohol C25H50O2 382.38108 NA MeJP NA NA +MJ051078 4,6-Pentacosanedione; 6-Alcohol C25H50O2 382.38108 NA MeJP NA NA +MJ051079 6,8-Pentacosanedione; 6-Alcohol C25H50O2 382.38108 NA MeJP NA NA +MJ051080 Hexadecanoic acid; Nonyl ester C25H50O2 382.38108 NA MeJP NA NA +MJ051081 Pentacosanoic acid C25H50O2 382.38108 NA MeJP NA NA +MJ051082 1-Hexacosanol C26H54O 382.417466 NA MeJP NA NA +MJ051083 1-Methoxy-2,12-dimethyltricosane C26H54O 382.417466 NA MeJP NA NA +MJ051084 1-Methoxy-2,14-dimethyltricosane C26H54O 382.417466 NA MeJP NA NA +MJ051085 1-Methoxy-2,20-dimethyltricosane C26H54O 382.417466 NA MeJP NA NA +MJ051086 1-Methoxy-22-methyltetracosane C26H54O 382.417466 NA MeJP NA NA +MJ051087 5-Methyl-5-pentacosanol C26H54O 382.417466 NA MeJP NA NA +C08381 Hexacosan-1-ol C26H54O 382.4175 NA KEGG NA NA +3634 NA YPFGFH~ 382.673 MH2+ Inhouse_peptide NA peptide +7747 ACE inhibitor from Alaska Pollack frame protein FGASTRGA 382.682 MH2+ Inhouse_peptide NA peptide +MJ051088 Altizide C11H14ClN3O4S3 382.983495 NA MeJP NA NA +MJ051089 Dichloro[1,1'-(dimethylsilylene)bis(methanamine)-N,N']platinum C4H14Cl2N2PtSi 382.995104 NA MeJP NA NA +MJ051090 Pluracidomycin B C11H13NO10S2 382.998087 NA MeJP NA NA +C11493 Carfentrazone C13H10Cl2F3N3O3 383.0051 NA KEGG NA NA +MJ051091 Ecothiopate(1+); Iodide C9H23INO3PS 383.018094 NA MeJP NA NA +MJ051092 Discorhabdin C; Monodebromo C18H14BrN3O2 383.026939 NA MeJP NA NA +MJ051093 Discorhabdin G C18H14BrN3O2 383.026939 NA MeJP NA NA +MJ051094 Eudistomin C; Debromo, 9-bromo, 1-N-Me C15H18BrN3O2S 383.03031 NA MeJP NA NA +C06890 Ceftizoxime C13H13N5O5S2 383.0358 NA KEGG NA NA +MJ051095 Ceftizoxime C13H13N5O5S2 383.035809 NA MeJP NA NA +C14864 S-(2-Chloroacetyl)glutathione C12H18ClN3O7S 383.0554 NA KEGG NA NA +C14865 2-(S-Glutathionyl)acetyl chloride C12H18ClN3O7S 383.0554 NA KEGG NA NA +MJ051096 Protetrone C19H13NO8 383.064116 NA MeJP NA NA +C07760 Brinzolamide C12H21N3O5S3 383.0643 NA KEGG NA NA +MJ051097 Brinzolamide C12H21N3O5S3 383.064332 NA MeJP NA NA +MJ051098 7-Chloro-2,3-dihydro-2-(4-methoxy-2-methylphenyl)pyridazino[4,5-b]quinoline-1,4,10(5H)-trione C19H14ClN3O4 383.067283 NA MeJP NA NA +MJ051099 Felodipine C18H19Cl2NO4 383.069113 NA MeJP NA NA +C11806 Pantoprazole C16H15F2N3O4S 383.0751 NA KEGG NA NA +HMDB05017 Pantoprazole C16H15F2N3O4S 383.07513 http://www.hmdb.ca/metabolites/HMDB05017 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05017 Pantoprazole C16H15F2N3O4S 383.07513 http://www.hmdb.ca/metabolites/HMDB05017 HMDB NA NA +HMDB05017 Pantoprazole C16H15F2N3O4S 383.07513 http://www.hmdb.ca/metabolites/HMDB05017 PFEM_hmdb_metabocards_blood NA blood +HMDB05017 Pantoprazole C16H15F2N3O4S 383.07513 HMDB05017 PFEM_hmdb_metabocards_official NA NA +MJ051100 Pantoprazole C16H15F2N3O4S 383.075133 NA MeJP NA NA +HMDB05017 Pantoprazole C16H15F2N3O4S 383.075134 NA HMDB2010 NA NA +C11316 Tetraphenylarsonium C24H20As 383.0781 NA KEGG NA NA +C11317 Solutol HS 15 C18H36O3 383.0781 NA KEGG NA NA +MJ051101 Djenkolic acid, N-Glutamyl C12H21N3O7S2 383.082091 NA MeJP NA NA +CJneg0573 3-indole carboxylic acid glucuronide [(M-H)+(HCOOH)]- C16H16NO10 383.085825 C18rt(min)=6.2 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0573 3-indole carboxylic acid glucuronide [(M-H)+(HCOOH)]- C16H16NO10 383.085825 C18rt(min)=6.2 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ051102 [[3,3'-[(2,2-Dimethyl-1,3-propanediyl)diimino]bis[2-butanone]dioximato](3-)-N,N',N'',N''']oxotechnetium C13H25N4O3Tc 383.099881 NA MeJP NA NA +C10602 Lilaline C20H17NO7 383.1005 NA KEGG NA NA +FL5FAANCN001 Lilaline C20H17NO7 383.1005 110011-49-9 knapsack NA NA +MJ051103 Berberal C20H17NO7 383.100501 NA MeJP NA NA +MJ051104 Chilenine C20H17NO7 383.100501 NA MeJP NA NA +MJ051105 Lilaline C20H17NO7 383.100501 NA MeJP NA NA +MJ051106 Procumbine C20H17NO7 383.100501 NA MeJP NA NA +MJ051107 Torulosine C20H17NO7 383.100501 NA MeJP NA NA +PJ000726 CMM C13H25N3O4S3 383.1007 NA PeJP NA NA +CJpos0783 Succinyladenosine [(M+H)]+ C14H18N5O8 383.107175 C18rt(min)=4.7 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0783 Succinyladenosine [(M+H)]+ C14H18N5O8 383.107175 C18rt(min)=4.7 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB00912 Succinyladenosine C14H17N5O8 383.1077 http://www.hmdb.ca/metabolites/HMDB00912 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00912 Succinyladenosine C14H17N5O8 383.1077 http://www.hmdb.ca/metabolites/HMDB00912 HMDB NA NA +HMDB00912 Succinyladenosine C14H17N5O8 383.1077 http://www.hmdb.ca/metabolites/HMDB00912 PFEM_hmdb_metabocards_blood NA blood +HMDB00912 Succinyladenosine C14H17N5O8 383.1077 HMDB00912 PFEM_hmdb_metabocards_official NA NA +MJ051108 Adenosylsuccinic acid C14H17N5O8 383.107712 NA MeJP NA NA +HMDB00912 Succinyladenosine C14H17N5O8 383.107727 NA HMDB2010 NA NA +CJneg0574 Succinyladenosine [(M-H)]- C14H16N5O8 383.108225 C18rt(min)=4.7 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0574 Succinyladenosine [(M-H)]- C14H16N5O8 383.108225 C18rt(min)=4.7 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +C13109 Hyoscyamine methylbromide C18H26NO3 383.1096 NA KEGG NA NA +MJ051109 Acutumine; 11-Epimer, N-de-Me C18H22ClNO6 383.113565 NA MeJP NA NA +MJ051110 Acutumine; N-De-Me C18H22ClNO6 383.113565 NA MeJP NA NA +C10565 Acutumidine C18H22ClNO6 383.1136 NA KEGG NA NA +PJ000727 CDF C16H21N3O6S 383.1151 NA PeJP NA NA +MJ051111 Karnamicin A1 C16H21N3O6S 383.115106 NA MeJP NA NA +MJ051112 4-[[6-Methoxy-2-(4-methoxyphenyl)-3-benzofuranyl]carbonyl]benzonitrile C24H17NO4 383.115758 NA MeJP NA NA +MetaCyc03293 S-tubercidinylhomocysteine [(S)-7-(5-S-(3-amino-3-carboxypropyl)-5-thio-β-D-ribofuranosyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine;] C15H21N5O5S1 383.12634 NA metacyc NA NA +PJ000728 SDY C16H21N3O8 383.1329 NA PeJP NA NA +C11029 Fluazifop butyl C19H20F3NO4 383.1344 NA KEGG NA NA +FL3FEANCN001 Phyllospadine C21H21NO6 383.13688 76540-48-2 knapsack NA NA +MJ051113 Adlumine C21H21NO6 383.136887 NA MeJP NA NA +MJ051114 Corlumine C21H21NO6 383.136887 NA MeJP NA NA +MJ051115 Cornigerine C21H21NO6 383.136887 NA MeJP NA NA +MJ051116 Corynoline, 5?-Hydroxy C21H21NO6 383.136887 NA MeJP NA NA +MJ051117 Coulteropine C21H21NO6 383.136887 NA MeJP NA NA +MJ051118 Cryptopine; 13-Oxo C21H21NO6 383.136887 NA MeJP NA NA +MJ051119 Gravacridonediol; 2'-O-Ac C21H21NO6 383.136887 NA MeJP NA NA +MJ051120 Hydrastine C21H21NO6 383.136887 NA MeJP NA NA +MJ051121 Ocotominarine C21H21NO6 383.136887 NA MeJP NA NA +MJ051122 Peshawarine C21H21NO6 383.136887 NA MeJP NA NA +MJ051123 Phyllospadine C21H21NO6 383.136887 NA MeJP NA NA +MJ051124 Pontevedrine; 5-Alcohol C21H21NO6 383.136887 NA MeJP NA NA +MJ051125 Rhoeadine C21H21NO6 383.136887 NA MeJP NA NA +MJ051126 Yenhusomidine C21H21NO6 383.136887 NA MeJP NA NA +MJ051127 Zijinlongine C21H21NO6 383.136887 NA MeJP NA NA +C09324 (+)-Adlumine C21H21NO6 383.1369 NA KEGG NA NA +C09462 (-)-alpha-Hydrastine C21H21NO6 383.1369 NA KEGG NA NA +C09619 Rhoeadine C21H21NO6 383.1369 NA KEGG NA NA +C10609 Phyllospadine C21H21NO6 383.1369 NA KEGG NA NA +C13799 (+)-Hydrastine C21H21NO6 383.1369 NA KEGG NA NA +HMDB01542 N-Acetyllactosamine C14H25NO11 383.14276 http://www.hmdb.ca/metabolites/HMDB01542 HMDB NA NA +HMDB06535 beta-1,4-mannose-N-acetylglucosamine C14H25NO11 383.14276 http://www.hmdb.ca/metabolites/HMDB06535 HMDB NA NA +HMDB06575 Lacto-N-biose I C14H25NO11 383.14276 http://www.hmdb.ca/metabolites/HMDB06575 HMDB NA NA +HMDB06583 Poly-N-acetyllactosamine C14H25NO11 383.14276 http://www.hmdb.ca/metabolites/HMDB06583 HMDB NA NA +MJ051128 2-Amino-2-deoxy-3-O-?-D-glucopyranosyl-D-galactose; ?-Pyranose-form, N-Ac C14H25NO11 383.14276 NA MeJP NA NA +MJ051129 3-O-(2-Amino-2-deoxy-?-D-glucopyranosyl)-D-galactose; N-Ac C14H25NO11 383.14276 NA MeJP NA NA +MJ051130 3-O-(2-Amino-2-deoxy-?-D-galactopyranosyl)-D-galactose; N-Ac C14H25NO11 383.14276 NA MeJP NA NA +MJ051131 4-O-(2-Amino-2-deoxy-?-D-galactopyranosyl)-D-galactose; N-Ac C14H25NO11 383.14276 NA MeJP NA NA +MJ051132 6-O-(2-Amino-2-deoxy-?-D-glucopyranosyl)-D-galactose; N-Ac C14H25NO11 383.14276 NA MeJP NA NA +MJ051133 Lacto-N-biose I C14H25NO11 383.14276 NA MeJP NA NA +MJ051134 Lactosamine; N-Ac C14H25NO11 383.14276 NA MeJP NA NA +HMDB01542 N-Acetyllactosamine C14H25NO11 383.14276 HMDB01542 PFEM_hmdb_metabocards_official NA NA +HMDB06535 beta-1,4-mannose-N-acetylglucosamine C14H25NO11 383.14276 HMDB06535 PFEM_hmdb_metabocards_official NA NA +HMDB06575 Lacto-N-biose I C14H25NO11 383.14276 HMDB06575 PFEM_hmdb_metabocards_official NA NA +HMDB06583 Poly-N-acetyllactosamine C14H25NO11 383.14276 HMDB06583 PFEM_hmdb_metabocards_official NA NA +HMDB01542 N-Acetyllactosamine C14H25NO11 383.142761 NA HMDB2010 NA NA +HMDB06535 Beta-1,4-mannose-N-acetylglucosamine C14H25NO11 383.142761 NA HMDB2010 NA NA +HMDB06575 Lacto-N-biose I C14H25NO11 383.142761 NA HMDB2010 NA NA +HMDB06583 Poly-N-acetyllactosamine C14H25NO11 383.142761 NA HMDB2010 NA NA +MetaCyc03294 1-D-myo-inosityl-2-acetamido-2-deoxy-α-D-glucopyranoside [GlcNAc-Ins;] C14H25N1O11 383.142761 NA metacyc NA NA +MetaCyc03295 β-D-galactosyl-1,4-N-acetyl-β-D-glucosamine [β-D-galactosyl-1,4-N-acetyl-D-glucosamine;N-acetyllactosamine;] C14H25N1O11 383.142761 32181-59-2 metacyc NA NA +MetaCyc03296 β-D-Gal-1-3-D-GlcNAc [β-D-galactopyranosyl-(1->3)-N-acetyl-D-glucosamine;] C14H25N1O11 383.142761 NA metacyc NA NA +C00611 N-Acetyllactosamine C14H25NO11 383.1428 NA KEGG NA NA +C06372 Lacto-N-biose C14H25NO11 383.1428 NA KEGG NA NA +C07278 beta-D-Galactosyl-(1->3)-N-acetyl-D-galactosamine C14H25NO11 383.1428 NA KEGG NA NA +MJ051135 9-Hydroxy-6-hydroxymethyl-1-phenazinecarboxylic acid; 9-Me ether, 1'-O-(2-amino-3-methylbutanoyl)(S-) C20H21N3O5 383.14812 NA MeJP NA NA +8030 synthetic peptide PHM 383.1504 antibacterial Inhouse_peptide NA peptide +MJ051136 Meropenem C17H25N3O5S 383.151491 NA MeJP NA NA +MJ051137 Veralipride C17H25N3O5S 383.151491 NA MeJP NA NA +PJ000729 AMY C17H25N3O5S 383.1515 NA PeJP NA NA +PJ000730 NNH C14H21N7O6 383.1553 NA PeJP NA NA +PJ000731 GGNH C14H21N7O6 383.1554 NA PeJP NA NA +MJ051138 Prazosin C19H21N5O4 383.159354 NA MeJP NA NA +C07368 Prazosin C19H21N5O4 383.1594 NA KEGG NA NA +PJ000732 PMH C16H25N5O4S 383.1627 NA PeJP NA NA +MJ051139 4'-[(2-Cyclopropyl-7-methyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl][1,1'-biphenyl]-2-carboxylic acid C24H21N3O2 383.163376 NA MeJP NA NA +MJ051140 Antibiotic K 252c; N6-(1-Methylethoxy)methyl C24H21N3O2 383.163376 NA MeJP NA NA +C07397 Quetiapine C21H25N3O2S 383.1667 NA KEGG NA NA +MJ051141 Quetiapine C21H25N3O2S 383.166747 NA MeJP NA NA +HMDB05021 Quetiapine C21H25N3O2S 383.166748 NA HMDB2010 NA NA +HMDB05021 Quetiapine C21H25N3O2S 383.16675 http://www.hmdb.ca/metabolites/HMDB05021 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05021 Quetiapine C21H25N3O2S 383.16675 http://www.hmdb.ca/metabolites/HMDB05021 HMDB NA NA +HMDB05021 Quetiapine C21H25N3O2S 383.16675 http://www.hmdb.ca/metabolites/HMDB05021 PFEM_hmdb_metabocards_blood NA blood +HMDB05021 Quetiapine C21H25N3O2S 383.16675 HMDB05021 PFEM_hmdb_metabocards_official NA NA +7989 synthetic peptide LHD 383.1689 hypotensive Inhouse_peptide NA peptide +PJ000733 TTY C17H25N3O7 383.1693 NA PeJP NA NA +MJ051142 Corycavidine C22H25NO5 383.173272 NA MeJP NA NA +MJ051143 Erioaustralasine; 4'?-form C22H25NO5 383.173272 NA MeJP NA NA +MJ051144 Erioaustralasine; 4'?-form C22H25NO5 383.173272 NA MeJP NA NA +MJ051145 Fumaritridine, Me ether C22H25NO5 383.173272 NA MeJP NA NA +MJ051146 N-Methylsecoglaucine; O8,N-Di-de-Me, N-Ac C22H25NO5 383.173272 NA MeJP NA NA +MJ051147 Peniprequinolone C22H25NO5 383.173272 NA MeJP NA NA +MJ051148 Prenylcitpressine; 3,6-Di-Me ether C22H25NO5 383.173272 NA MeJP NA NA +MJ051149 Raddeanamine C22H25NO5 383.173272 NA MeJP NA NA +MJ051150 Thalicsimidine, 6a,7-Didehydro C22H25NO5 383.173272 NA MeJP NA NA +MJ051151 Thalihazine C22H25NO5 383.173272 NA MeJP NA NA +HMDB12211 Dihydrozeatin-7-N-dihydrozeatin C16H25N5O6 383.180481 NA HMDB2010 NA NA +HMDB12213 Dihydrozeatin-9-N-glucoside C16H25N5O6 383.180481 NA HMDB2010 NA NA +HMDB12214 Dihydrozeatin-O-glucoside C16H25N5O6 383.180481 NA HMDB2010 NA NA +MJ051152 6-(4-Hydroxy-3-methylbutylamino)purine, O-?-D-Glucopyranoside C16H25N5O6 383.180483 NA MeJP NA NA +MetaCyc03297 dihydrozeatin-O-glucoside [] C16H25N5O6 383.180484 NA metacyc NA NA +MetaCyc03298 dihydrozeatin-9-N-glucoside [] C16H25N5O6 383.180484 NA metacyc NA NA +MetaCyc03299 dihydrozeatin-7-N-dihydrozeatin [] C16H25N5O6 383.180484 NA metacyc NA NA +C16448 Dihydrozeatin-O-glucoside C16H25N5O6 383.1805 NA KEGG NA NA +PJ000734 VEH C16H25N5O6 383.1805 NA PeJP NA NA +PJ000735 AFF C21H25N3O4 383.1845 NA PeJP NA NA +MJ051153 Naamine C C21H25N3O4 383.184506 NA MeJP NA NA +MJ051154 Scaevodimerine A C21H25N3O4 383.184506 NA MeJP NA NA +MJ051155 Dichlorolissoclimide; 3-Dechloro C20H30ClNO4 383.186336 NA MeJP NA NA +7557 ACE inhibitor from spinach YPLDLF 383.18895 MH2+ Inhouse_peptide NA peptide +MJ051156 Antibiotic LL-AM 31?; N2-Ac C14H29N3O9 383.190379 NA MeJP NA NA +MJ051157 Sorbistin B C14H29N3O9 383.190379 NA MeJP NA NA +MJ051158 Intermedine; 3'-Epimer, O7,O3'-di-Ac C19H29NO7 383.194402 NA MeJP NA NA +MJ051159 Intermedine; O3',O7-Di-Ac C19H29NO7 383.194402 NA MeJP NA NA +MJ051160 Syneilesine C19H29NO7 383.194402 NA MeJP NA NA +MJ051161 Trifenagrel C25H25N3O 383.199762 NA MeJP NA NA +MJ051162 Spiramide C22H26FN3O2 383.200905 NA MeJP NA NA +MJ051163 Corymotine C23H29NO4 383.209658 NA MeJP NA NA +MJ051164 Epocarbazolin B C23H29NO4 383.209658 NA MeJP NA NA +MJ051165 Hetidine; 3-Deoxy, 2-Ac C23H29NO4 383.209658 NA MeJP NA NA +MJ051166 Neocarazostatin A; 1'-Me ether C23H29NO4 383.209658 NA MeJP NA NA +MJ051167 Puhinamide C23H29NO4 383.209658 NA MeJP NA NA +MJ051168 Tilsuprost C20H33NO4S 383.213029 NA MeJP NA NA +MJ051169 Benzyldodecyldimethylammonium(1+); Bromide C21H38BrN 383.218762 NA MeJP NA NA +MJ051170 3-Amino-Nb-methylsecovoacarpine C22H29N3O3 383.220891 NA MeJP NA NA +MJ051171 Nibentan C22H29N3O3 383.220891 NA MeJP NA NA +MJ051172 Trecadrine C27H29NO 383.224914 NA MeJP NA NA +MJ051173 Intermedine; 3'-Epimer, O3'-(3-methylbutanoyl) C20H33NO6 383.230787 NA MeJP NA NA +MJ051174 Punctanecine C20H33NO6 383.230787 NA MeJP NA NA +MJ051175 Tandospirone C21H29N5O2 383.232125 NA MeJP NA NA +MJ051176 Janolusimide C19H33N3O5 383.242021 NA MeJP NA NA +MJ051177 Aspochalasin C; 17,18-Dideoxy, 17,18-epoxide C24H33NO3 383.246043 NA MeJP NA NA +MJ051178 Denaverine C24H33NO3 383.246043 NA MeJP NA NA +MJ051179 Guineensine C24H33NO3 383.246043 NA MeJP NA NA +MJ051180 Naftidrofuryl C24H33NO3 383.246043 NA MeJP NA NA +MJ051181 Neovasipyridone; N-(2-Phenylethyl) C24H33NO3 383.246043 NA MeJP NA NA +MJ051182 Sylvatine C24H33NO3 383.246043 NA MeJP NA NA +MJ051183 Isokalihinol F C23H33N3O2 383.257277 NA MeJP NA NA +MJ051184 Kalihinol F C23H33N3O2 383.257277 NA MeJP NA NA +MJ051185 Flavovirin C21H37NO5 383.267173 NA MeJP NA NA +HMDB13332 3-Hydroxy-5, 8-tetradecadiencarnitine C21H37NO5 383.267181 NA HMDB2010 NA NA +C11306 Acetylleucyl-leucyl-norleucinal C20H37N3O4 383.2784 NA KEGG NA NA +MJ051186 Dioctatin; Dioctatin B C20H37N3O4 383.278406 NA MeJP NA NA +MJ051187 Quadazocine C25H37NO2 383.282429 NA MeJP NA NA +MJ051188 16-Phenyl-2,4-hexadecadienoic acid, 2-Methylpropylamide C26H41NO 383.318814 NA MeJP NA NA +MJ051189 Buxaminone C26H41NO 383.318814 NA MeJP NA NA +MJ051190 Cyclobuxophylline O; N,N-Di-Me C26H41NO 383.318814 NA MeJP NA NA +MJ051191 Cyclobuxoviridine L C26H41NO 383.318814 NA MeJP NA NA +MJ051192 Melinamide C26H41NO 383.318814 NA MeJP NA NA +MJ051193 Veracintine C26H41NO 383.318814 NA MeJP NA NA +MJ051194 N',N'',N''-Trimethyl-N-(3-methyl-2,4-dodecadienoyl)spermidine, 2',3',4',5'-Tetrahydro C23H49N3O 383.387563 NA MeJP NA NA +MJ051195 1,1,4,4-Tetrabromo-3-buten-2-ol C4H4Br4O 383.699565 NA MeJP NA NA +MJ051196 8-Bromo-1,5,6-trichloro-2-(dichloromethyl)-6-methyl-1,3,7-octatriene C10H10BrCl5 383.840851 NA MeJP NA NA +C06650 2,3-Dihydroxy 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane C14H9Cl5O2 383.9045 NA KEGG NA NA +MJ051197 2,3-Dihydroxy 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane C14H9Cl5O2 383.904518 NA MeJP NA NA +C13622 Dibromobisphenol A C15H14Br2O2 383.9361 NA KEGG NA NA +MJ051198 5,5'-Dibromo-2',6',6'-trimethylspiro[benzofuran-2(3H),1'-cyclohex-2'-ene] C16H18Br2O 383.97244 NA MeJP NA NA +MJ051199 Zinoconazole C15H11Cl3N4S 383.977 NA MeJP NA NA +MJ051200 Erdin C16H10Cl2O7 383.980358 NA MeJP NA NA +MJ051201 Ethyl(2-mercaptobenzoato-S)mercury C9H10HgO2S 384.010775 NA MeJP NA NA +MJ051202 Triclodazol C17H15Cl3N2O2 384.01991 NA MeJP NA NA +MJ051203 Palmarumycin C7; 6,7-Dihydro C20H13ClO6 384.040065 NA MeJP NA NA +MJ051204 Ticarcillin C15H16N2O6S2 384.044977 NA MeJP NA NA +C07139 Ticarcillin C15H16N2O6S2 384.045 NA KEGG NA NA +CJneg0575 Citric acid [2M-H]- C12H15O14 384.054525 C18rt(min)=1.6 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0576 Citric acid [2M-H]- C12H15O14 384.054525 C18rt(min)=1.09 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0575 Citric acid [2M-H]- C12H15O14 384.054525 C18rt(min)=1.6 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0576 Citric acid [2M-H]- C12H15O14 384.054525 C18rt(min)=1.09 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C11705 SC-58125 C17H12F4N2O2S 384.0556 NA KEGG NA NA +PJ000736 GCCC C11H20N4O5S3 384.0596 NA PeJP NA NA +MJ051205 1,2-Dihydroxy-1,2,3-propanetricarboxylic acid, 1-O-Feruloyl(E) C16H16O11 384.069261 NA MeJP NA NA +MJ051206 Thunbergioside C14H21ClO10 384.082324 NA MeJP NA NA +C12366 Tetracenomycin F2 C20H16O8 384.0845 NA KEGG NA NA +MJ051207 2-[2-(2,4-Dihydroxy-6-methylbenzoyl)-3-hydroxybenzyl]-6-hydroxy-4H-1-pyran-4-one; 5'-Hydroxy C20H16O8 384.084517 NA MeJP NA NA +MJ051208 3,3',4,4',5',7-Hexahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4-Di-Me ether C20H16O8 384.084517 NA MeJP NA NA +MJ051209 8,10-Dihydroxy-5-[(6-hydroxy-4-oxo-4H-pyran-2-yl)methyl]-2-methyl-4H-naphtho[1,2-b]pyran-4-one; 2,3-Dihydro, 2?-hydroxy C20H16O8 384.084517 NA MeJP NA NA +MJ051210 9,10-Dihydro-3,6,8-trihydroxy-9,10-dioxo-1-(1-oxopropyl)-2-anthraceneacetic acid; Me ester C20H16O8 384.084517 NA MeJP NA NA +MJ051211 Antibiotic C 112-III; 1'-Oxo C20H16O8 384.084517 NA MeJP NA NA +MJ051212 Hydroxyversicolorone C20H16O8 384.084517 NA MeJP NA NA +MJ051213 Momofulvenone A; 4-Ac C20H16O8 384.084517 NA MeJP NA NA +MJ051214 Nidurufin C20H16O8 384.084517 NA MeJP NA NA +MJ051215 Preussomerin A; 3'?-Hydroxy, 2',3'-dihydro, 1-epimer C20H16O8 384.084517 NA MeJP NA NA +MJ051216 Sterigmatocystin; 10,11-Dimethoxy C20H16O8 384.084517 NA MeJP NA NA +MJ051217 Tetracenomycin F2 C20H16O8 384.084517 NA MeJP NA NA +MetaCyc03300 dimethoxysterigmatocystin [] C20H16O8 384.084517 NA metacyc NA NA +MJ051218 18-Bromo-12,13-epoxy-9-hydroxy-10,15-octadecadien-17-ynoic acid C18H25BrO4 384.093621 NA MeJP NA NA +MetaCyc03301 S-Inosyl-L-homocysteine [] C14H18N5O6S1 384.097779 NA metacyc NA NA +MJ051219 Calomelanol D; 3,4'-Dideoxy C24H16O5 384.099773 NA MeJP NA NA +MJ051220 Diclofurime C18H22Cl2N2O3 384.100747 NA MeJP NA NA +MJ051221 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 5,6-Di-Me ether, 7-O-?-D-glucopyranoside C17H20O10 384.105646 NA MeJP NA NA +MJ051222 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether, 6-O-?-D-glucopyranoside C17H20O10 384.105646 NA MeJP NA NA +MJ051223 5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Di-Me ether, 5-O-?-D-glucopyranoside C17H20O10 384.105646 NA MeJP NA NA +MJ051224 6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 6,8-Di-Me ether, 7-O-?-D-glucopyranoside C17H20O10 384.105646 NA MeJP NA NA +MJ051225 6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 6,8-Di-Me ether, 7-O-?-D-glucopyranoside C17H20O10 384.105646 NA MeJP NA NA +MJ051226 7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one; 7-Me ether, 8-O-?-D-glucopyranoside C17H20O10 384.105646 NA MeJP NA NA +MJ051227 Anhydrohapaloxindole B C21H21ClN2OS 384.106311 NA MeJP NA NA +CJpos0784 Succinyladenosine [(M+H)]+ (13C) C1313CH18N5O8 384.110475 C18rt(min)=4.7 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0784 Succinyladenosine [(M+H)]+ (13C) C1313CH18N5O8 384.110475 C18rt(min)=4.7 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ051228 5,12-Dihydrocycloocta[1,2-b:5,6-b']diindole-6,13-dicarboxylic acid; Mono-Me ester C23H16N2O4 384.111007 NA MeJP NA NA +CJneg0577 Succinyladenosine [(M-H)]- (13C) C1313CH16N5O8 384.111625 C18rt(min)=4.7 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0577 Succinyladenosine [(M-H)]- (13C) C1313CH16N5O8 384.111625 C18rt(min)=4.7 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +C10552 4'-Demethyldeoxypodophyllotoxin C21H20O7 384.1209 NA KEGG NA NA +FL3FRNNR0006 Oxyisocyclointegrin;6,7-Dihydro-3,9-dihydroxy-6-(1-hydroxy-1-methylethyl)-11-methoxy-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one C21H20O7 384.1209 60791-47-1 knapsack NA NA +FL4DADNP0001 Eriotrinol C21H20O7 384.1209 151590-49-7 knapsack NA NA +FL4DALNP0001 (2S,3S)-3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone C21H20O7 384.1209 - knapsack NA NA +FL5F9ANI0001 Uralene;2-[4,5-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-5,6-dihydroxy-3-methoxy-4H-1-benzopyran-4-one C21H20O7 384.1209 150853-99-9 knapsack NA NA +FL5FACNP0001 4'',5''-Dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]flavone C21H20O7 384.1209 52617-83-1 knapsack NA NA +FL5FADNI0001 Gancaonin P 3'methyl ether;3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C21H20O7 384.1209 151776-21-5 knapsack NA NA +FL5FDCNI0002 5,7,3',4'-Tetrahydroxy-3-methoxy-6-prenylflavone C21H20O7 384.1209 151649-34-2 knapsack NA NA +FL5FDCNI0004 5,7,3',4'-Tetrahydroxy-3-methoxy-5'-prenylflavone;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one C21H20O7 384.1209 150853-98-8 knapsack NA NA +FL5FEANI0001 3,5,7-Trihydroxy-6-methoxy-4'-prenyloxyflavone C21H20O7 384.1209 160036-25-9 knapsack NA NA +FL5FF9NI0001 8-Hydroxygalangin 3-methyl ether 8-methylbutyrate C21H20O7 384.1209 128508-14-5 knapsack NA NA +FL5FF9NS0015 Isognaphalin 8-butyrate C21H20O7 384.1209 98204-85-4 knapsack NA NA +FL5FFANI0001 3,5,7-Trihydroxy-8-methoxy-4'-prenyloxyflavone C21H20O7 384.1209 160036-24-8 knapsack NA NA +FLIAAENI0003 Gancaonin D C21H20O7 384.1209 124596-88-9 knapsack NA NA +FLIAALNI0004 Piscerythrone;5,7,2',4'-Tetrahydroxy-5'-methoxy-3'-prenylisoflavone C21H20O7 384.1209 6506-96-3 knapsack NA NA +FLIAALNI0005 Piscidone;5,7,3',4'-Tetrahydroxy-6'-methoxy-2'-prenylisoflavone C21H20O7 384.1209 11025-91-5 knapsack NA NA +FLIBHXNP0001 Sophoronol;3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavanone C21H20O7 384.1209 62498-98-0 knapsack NA NA +FLIE1CNI0002 Mirificoumestan hydrate;3,9-Dihydroxy-8-methoxy-7-(3-hydroxy-3-methylbutyl)coumestan C21H20O7 384.1209 114865-44-0 knapsack NA NA +FLIHALNP0002 Licopyranocoumarin C21H20O7 384.1209 117038-80-9 knapsack NA NA +MJ051229 1,2-Dicoumaroylglycerol C21H20O7 384.120902 NA MeJP NA NA +MJ051230 1,3-Dicoumaroylglycerol C21H20O7 384.120902 NA MeJP NA NA +MJ051231 1-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 4,7-Dibenzoyl C21H20O7 384.120902 NA MeJP NA NA +MJ051232 1-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 3,7-Dibenzoyl C21H20O7 384.120902 NA MeJP NA NA +MJ051233 2',4',5,5',7-Pentahydroxy-3'-prenylisoflavone; 5'-Me ether C21H20O7 384.120902 NA MeJP NA NA +MJ051234 2',4',5,5',7-Pentahydroxy-6-prenylisoflavone; 5'-Me ether C21H20O7 384.120902 NA MeJP NA NA +MJ051235 2,3,3',4,4'-Pentahydroxylign-7-en-9,9'-olide, 3,4-Methylene, 3',4'-di-Me ether C21H20O7 384.120902 NA MeJP NA NA +MJ051236 2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-7-(4-hydroxyphenyl)-3-methoxy-5H-furo[3,2-g][1]benzopyran-5-one C21H20O7 384.120902 NA MeJP NA NA +MJ051237 2-(3,4-Dihydroxyphenyl)-9,10-dihydro-3,5-dihydroxy-8,8,10-trimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C21H20O7 384.120902 NA MeJP NA NA +MJ051238 2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1',4-Dibenzoyl C21H20O7 384.120902 NA MeJP NA NA +MJ051239 2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1,4-Dibenzoyl C21H20O7 384.120902 NA MeJP NA NA +MJ051240 2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1,1'-Dibenzoyl C21H20O7 384.120902 NA MeJP NA NA +MJ051241 2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1',4-Dibenzoyl C21H20O7 384.120902 NA MeJP NA NA +MJ051242 2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1,4-Dibenzoyl C21H20O7 384.120902 NA MeJP NA NA +MJ051243 2-Acetyl-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-methyl-5,6-methylenedioxyindenone C21H20O7 384.120902 NA MeJP NA NA +MJ051244 3',4',5,5',7-Pentahydroxy-2'-prenylisoflavone; 3'-Me ether C21H20O7 384.120902 NA MeJP NA NA +MJ051245 3',4',5,5',7-Pentahydroxy-2'-prenylisoflavone; 5'-Me ether C21H20O7 384.120902 NA MeJP NA NA +MJ051246 3,3',4',5,7-Pentahydroxy-2'-prenylflavone; 3-Me ether C21H20O7 384.120902 NA MeJP NA NA +MJ051247 3,3',4',5,7-Pentahydroxy-5'-prenylflavone; 3-Me ether C21H20O7 384.120902 NA MeJP NA NA +MJ051248 3,3',4',5,7-Pentahydroxy-6-prenylflavone; 3'-Me ether C21H20O7 384.120902 NA MeJP NA NA +MJ051249 3,3',4',5,7-Pentahydroxy-6-prenylflavone; 3-Me ether C21H20O7 384.120902 NA MeJP NA NA +MJ051250 3,3',4,4',5-Pentahydroxylign-7-en-9,9'-olide, 3',4'-Methylene, 3,4-di-Me ether C21H20O7 384.120902 NA MeJP NA NA +MJ051251 3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3,4:3',4'-Bis(methylene), 5-Me ether C21H20O7 384.120902 NA MeJP NA NA +MJ051252 3,4',5,5',6-Pentahydroxy-2'-prenylflavone; 3-Me ether C21H20O7 384.120902 NA MeJP NA NA +MJ051253 3,4',5,6,7-Pentahydroxyflavone; 6-Me ether, 4'-O-(3-methyl-2-butenyl) C21H20O7 384.120902 NA MeJP NA NA +MJ051254 3,4',5,7-Tetrahydroxy-8-methoxyflavone; 4'-O-(3-Methyl-2-butenyl) C21H20O7 384.120902 NA MeJP NA NA +MJ051255 3,5,7,8-Tetrahydroxyflavone; 3-Me ether, 8-O-(2-methylbutanoyl) C21H20O7 384.120902 NA MeJP NA NA +MJ051256 3,8,9-Trihydroxy-7-prenylcoumestan; 8-Me ether, 2',3'-dihydro, 3'-hydroxy C21H20O7 384.120902 NA MeJP NA NA +MJ051257 3,8-Dihydroxy-1-methylanthraquinone; 3-O-(2,6-Dideoxy-?-D-arabino-hexopyranoside) C21H20O7 384.120902 NA MeJP NA NA +MJ051258 3-Methoxysesamin C21H20O7 384.120902 NA MeJP NA NA +MJ051259 4'-Demethylpodophyllotoxin; 7-Deoxy C21H20O7 384.120902 NA MeJP NA NA +MJ051260 4'-Demethylpodophyllotoxin; 8'-Epimer, 7-deoxy C21H20O7 384.120902 NA MeJP NA NA +MJ051261 5-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1',3-Dibenzoyl C21H20O7 384.120902 NA MeJP NA NA +MJ051262 7-(1,3-Benzodioxol-5-yl)-6,7-dihydro-4,5,6,9-tetramethoxy-5H-furo[3,2-g]-1-benzopyran, 3-Demethoxy C21H20O7 384.120902 NA MeJP NA NA +MJ051263 7-Dehydroxy-4-demethylpodophyllotoxin C21H20O7 384.120902 NA MeJP NA NA +MJ051264 Alpinumisoflavone; 3,4-Dihydro, 3?-hydroxy, 4?-methoxy C21H20O7 384.120902 NA MeJP NA NA +MJ051265 Averufanin, 8-Me ether C21H20O7 384.120902 NA MeJP NA NA +MJ051266 Chasnarolide; 3'-Me ether C21H20O7 384.120902 NA MeJP NA NA +MJ051267 Daunomycin; Aglycone, 10-deoxy, 13-alcohol C21H20O7 384.120902 NA MeJP NA NA +MJ051268 Dulxanthone F C21H20O7 384.120902 NA MeJP NA NA +MJ051269 Eriotrinol C21H20O7 384.120902 NA MeJP NA NA +MJ051270 Erythrinin C; 3-Methoxy C21H20O7 384.120902 NA MeJP NA NA +MJ051271 Feudomycin A; Aglycone C21H20O7 384.120902 NA MeJP NA NA +MJ051272 Galacturonic acid; ?-D-Pyranose-form, 1,2:3,4-Di-O-benzylidene, Me ester C21H20O7 384.120902 NA MeJP NA NA +MJ051273 Gancaonin C; 3'-Hydroxy, 4'-Me ether C21H20O7 384.120902 NA MeJP NA NA +MJ051274 Garvin B; 2-Hydroxy C21H20O7 384.120902 NA MeJP NA NA +MJ051275 Glyasperin E C21H20O7 384.120902 NA MeJP NA NA +MJ051276 Isoglycycoumarin; 12-Hydroxy C21H20O7 384.120902 NA MeJP NA NA +MJ051277 Isoglycycoumarin; 7-Hydroxy C21H20O7 384.120902 NA MeJP NA NA +MJ051278 Licofuranocoumarin C21H20O7 384.120902 NA MeJP NA NA +MJ051279 Lisetin; 2',3'-Dihydro, 3'-hydroxy C21H20O7 384.120902 NA MeJP NA NA +MJ051280 Norsolorinic acid; 6-Me ether C21H20O7 384.120902 NA MeJP NA NA +MJ051281 Oxyisocyclointegrin C21H20O7 384.120902 NA MeJP NA NA +MJ051282 Piscerisoflavone B; 2'-Deoxy C21H20O7 384.120902 NA MeJP NA NA +MJ051283 Secundiflorol B C21H20O7 384.120902 NA MeJP NA NA +MJ051284 Sesangolin C21H20O7 384.120902 NA MeJP NA NA +MJ051285 Sophoronol C21H20O7 384.120902 NA MeJP NA NA +MJ051286 Trichostin; 2-Ketone (lactone) C21H20O7 384.120902 NA MeJP NA NA +MJ051287 Wailupemycin B C21H20O7 384.120902 NA MeJP NA NA +MJ051288 Wailupemycin C C21H20O7 384.120902 NA MeJP NA NA +HMDB00939 S-Adenosylhomocysteine C14H20N6O5S 384.12158 http://www.hmdb.ca/metabolites/HMDB00939 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00939 S-Adenosylhomocysteine C14H20N6O5S 384.12158 http://www.hmdb.ca/metabolites/HMDB00939 HMDB NA NA +HMDB00939 S-Adenosylhomocysteine C14H20N6O5S 384.12158 http://www.hmdb.ca/metabolites/HMDB00939 PFEM_hmdb_metabocards_blood NA blood +HMDB00939 S-Adenosylhomocysteine C14H20N6O5S 384.12158 HMDB00939 PFEM_hmdb_metabocards_official NA NA +HMDB00939 S-Adenosylhomocysteine C14H20N6O5S 384.121582 NA HMDB2010 NA NA +MJ051289 S-Adenosyl-L-homocysteine C14H20N6O5S 384.121588 NA MeJP NA NA +MetaCyc03302 S-adenosyl-L-homocysteine [AdoHcy;2-S-adenosyl-L-homocysteine;S-adenosyl-homocysteine;S-adenosylhomocysteine;adenosyl-homo-cys;adenosylhomocysteine;adenosylhomo-cys;SAH;] C14H20N6O5S1 384.121588 979-92-0 metacyc NA NA +EUR056 Adenylhomocysteine C14H20N6O5S 384.121591 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR056 Adenylhomocysteine C14H20N6O5S 384.121591 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR056 Adenylhomocysteine C14H20N6O5S 384.121591 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR056 Adenylhomocysteine C14H20N6O5S 384.121591 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR056 Adenylhomocysteine C14H20N6O5S 384.121591 Wishlist HMDB NA NA +EUR056 Adenylhomocysteine C14H20N6O5S 384.121591 Wishlist Inhouse_PFEM NA NA +EUR056 Adenylhomocysteine C14H20N6O5S 384.121591 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR056 Adenylhomocysteine C14H20N6O5S 384.121591 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR056 S-adenylhomocysteine C14H20N6O5S 384.1216 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR056 S-adenylhomocysteine C14H20N6O5S 384.1216 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR056 S-adenylhomocysteine C14H20N6O5S 384.1216 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR056 S-adenylhomocysteine C14H20N6O5S 384.1216 Wishlist Inhousejuil11 NA NA +C00021 S-Adenosyl-L-homocysteine C14H20N6O5S 384.1216 NA KEGG NA NA +MJ051290 Clodoxopone C21H21ClN2O3 384.12407 NA MeJP NA NA +MetaCyc03303 acetylmaltose [] C14H24O12 384.126776 NA metacyc NA NA +C02130 Acetyl-maltose C14H24O12 384.1268 NA KEGG NA NA +CJneg0578 Quinic acid [(2M-H)]- C14H23O12 384.127325 C18rt(min)=0.89 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0578 Quinic acid [(2M-H)]- C14H23O12 384.127325 C18rt(min)=0.89 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ051291 6-Bromo-17-hydroxy-17-methyl-4-oxaandrostan-3-one C19H29BrO3 384.130007 NA MeJP NA NA +MJ051292 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(3-Chloro-2-hydroxy-2-methylpropanoyl) C19H25ClO6 384.133966 NA MeJP NA NA +MJ051293 15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2-Methylpropanoyl) C19H25ClO6 384.133966 NA MeJP NA NA +C08504 Macrozamin C13H24N2O11 384.138 NA KEGG NA NA +PJ000737 NDH C14H20N6O7 384.1394 NA PeJP NA NA +MJ051294 1,5-Anhydroglucitol, 6-O-(3,4,5-Trimethoxycinnamoyl) C18H24O9 384.142032 NA MeJP NA NA +MJ051295 1-O-Coumaroylglycerol, 4'-Deoxy, 2-O-?-D-glucopyranoside C18H24O9 384.142032 NA MeJP NA NA +MJ051296 Ethyl glucoside; ?-D-Pyranose-form, 4-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) C18H24O9 384.142032 NA MeJP NA NA +FL2FAFNI0001 5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone C22H24O6 384.15728 147047-03-8 knapsack NA NA +FL2FCDNI0002 Eriodictyol 7,3'-dimethyl ether 4'-prenyl ether C22H24O6 384.15728 39953-50-9 knapsack NA NA +FLIBALNI0009 Echinoisosophoranone;5,4'-Dihydroxy-7,2'-dimethoxy-5'-(1''',1'''-dimethylallyl)isoflavanone C22H24O6 384.15728 125300-48-3 knapsack NA NA +MJ051297 11,12-Dihydroxy-3,7-dioxo-1,8,11,13-abietatetraen-20,6-olide, Di-Me ether C22H24O6 384.157288 NA MeJP NA NA +MJ051298 2',4',5',7-Tetrahydroxy-6-prenylisoflavanone; 2',5'-Di-Me ether C22H24O6 384.157288 NA MeJP NA NA +MJ051299 2',4',5,7-Tetrahydroxy-6-methyl-8-prenylisoflavanone, 7-Me ether C22H24O6 384.157288 NA MeJP NA NA +MJ051300 2',4',5,7-Tetrahydroxy-6-prenylisoflavanone; 4',7-Di-Me ether C22H24O6 384.157288 NA MeJP NA NA +MJ051301 2',4',6',7-Tetrahydroxy-3'-prenylflavanone, 2',4'-Di-Me ether C22H24O6 384.157288 NA MeJP NA NA +MJ051302 3',4',5,7-Tetrahydroxy-2'-prenylflavanone, 3',4'-Di-Me ether C22H24O6 384.157288 NA MeJP NA NA +MJ051303 3',4',5,7-Tetrahydroxy-5'-prenylflavanone, 3',4'-Di-Me ether C22H24O6 384.157288 NA MeJP NA NA +MJ051304 3',4',5,7-Tetrahydroxyflavanone, 4'-O-(3-Methyl-2-butenyl), 3',7-di-Me ether C22H24O6 384.157288 NA MeJP NA NA +MJ051305 3,3',4,4'-Tetrahydroxylign-7-en-9,9'-olide, Tetra-Me ether C22H24O6 384.157288 NA MeJP NA NA +MJ051306 3,4-Dihydro-3,6,8,9-tetrahydroxy-3-methyl-1(2H)-anthracenone, 6-O-(3-Methyl-2-butenyl), 3-Ac C22H24O6 384.157288 NA MeJP NA NA +MJ051307 5'-(1,1-Dimethyl-2-propenyl)-2',3',4',7-tetrahydroxyisoflavanone, 3',4'-Di-Me ether C22H24O6 384.157288 NA MeJP NA NA +MJ051308 5'-(1,1-Dimethyl-2-propenyl)-2',4',5,7-tetrahydroxyisoflavanone; 2',7-Di-Me ether C22H24O6 384.157288 NA MeJP NA NA +MJ051309 5,6-Epoxy-11,12-dihydroxy-3,7-dioxo-1,8,11,13-abietatetraen-20-al, Di-Me ether C22H24O6 384.157288 NA MeJP NA NA +MJ051310 Antibiotic M 3 C22H24O6 384.157288 NA MeJP NA NA +MJ051311 Cubebin; Et ether C22H24O6 384.157288 NA MeJP NA NA +MJ051312 Furaquinocin E C22H24O6 384.157288 NA MeJP NA NA +MJ051313 Kanzonol N C22H24O6 384.157288 NA MeJP NA NA +MJ051314 Leptosphaerodione; 1-Methoxy C22H24O6 384.157288 NA MeJP NA NA +MJ051315 Myricanol; Ketone, 12-oxo, 5-Me ether C22H24O6 384.157288 NA MeJP NA NA +MJ051316 Onosone B; 1'-O-(3-Methyl-2-butenoyl) C22H24O6 384.157288 NA MeJP NA NA +MJ051317 Penicillide, 1'-Deoxy, 1',2'-didehydro, 3'-methoxy C22H24O6 384.157288 NA MeJP NA NA +MJ051318 Piperulin B C22H24O6 384.157288 NA MeJP NA NA +MJ051319 Ramosissin C22H24O6 384.157288 NA MeJP NA NA +MJ051320 Vismione C C22H24O6 384.157288 NA MeJP NA NA +MJ051321 Wuweizisu C C22H24O6 384.157288 NA MeJP NA NA +C10893 Schizandrin C C22H24O6 384.1573 NA KEGG NA NA +HMDB00386 3b,16a-Dihydroxyandrostenone sulfate C19H28O6S 384.160675 NA HMDB2010 NA NA +HMDB00386 3b,16a-Dihydroxyandrostenone sulfate C19H28O6S 384.16068 http://www.hmdb.ca/metabolites/HMDB00386 HMDB NA NA +HMDB00386 3b,16a-Dihydroxyandrostenone sulfate C19H28O6S 384.16068 HMDB00386 PFEM_hmdb_metabocards_official NA NA +MJ051322 2,3-Butanediol, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C15H28O11 384.163161 NA MeJP NA NA +PJ000738 GPPD C16H24N4O7 384.1645 NA PeJP NA NA +MJ051323 3-Bromo-8,13-epoxy-14-labden-6-ol C20H33BrO2 384.166392 NA MeJP NA NA +MJ051324 Bromotetrasphaerol C20H33BrO2 384.166392 NA MeJP NA NA +MJ051325 Coronopifoliol C20H33BrO2 384.166392 NA MeJP NA NA +MJ051326 Dactylopyranoid C20H33BrO2 384.166392 NA MeJP NA NA +MJ051327 Rotalin B C20H33BrO2 384.166392 NA MeJP NA NA +MJ051328 4-[2-(2-Benzoxazolylmethylamino)ethoxy]-?-ethoxybenzenepropanoic acid C21H24N2O5 384.168521 NA MeJP NA NA +MJ051329 Akuammicine, 11-Methoxy, 19,20-dihydro, 19-oxo, 20?-hydroxy C21H24N2O5 384.168521 NA MeJP NA NA +MJ051330 Alschomine C21H24N2O5 384.168521 NA MeJP NA NA +MJ051331 Alstonoxine B C21H24N2O5 384.168521 NA MeJP NA NA +MJ051332 Hedrantherine; 11-Hydroxy C21H24N2O5 384.168521 NA MeJP NA NA +MJ051333 Lanceomigine; N-De-Me, N4-oxide C21H24N2O5 384.168521 NA MeJP NA NA +MJ051334 Mitraphylline; 7-Epimer, N-oxide C21H24N2O5 384.168521 NA MeJP NA NA +MJ051335 Mitraphylline; N-Oxide C21H24N2O5 384.168521 NA MeJP NA NA +MJ051336 Rumberine C21H24N2O5 384.168521 NA MeJP NA NA +MJ051337 Toborinone C21H24N2O5 384.168521 NA MeJP NA NA +MJ051338 Uncarine, N-Oxide C21H24N2O5 384.168521 NA MeJP NA NA +MJ051339 Voamonine C21H24N2O5 384.168521 NA MeJP NA NA +PJ000739 TQH C15H24N6O6 384.1757 NA PeJP NA NA +PJ000740 GATH C15H24N6O6 384.1758 NA PeJP NA NA +MJ051340 Artesunate C19H28O8 384.178417 NA MeJP NA NA +MJ051341 Castela polyandra Glycoside C19H28O8 384.178417 NA MeJP NA NA +MJ051342 3-[[[3,4-Dihydro-1-oxo-7-(1-piperazinyl)-2(1H)-isoquinolinyl]acetyl]amino]-4-pentynoic acid C20H24N4O4 384.179755 NA MeJP NA NA +MJ051343 8-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-diethyl-3,7-dihydro-7-methyl-1H-purine-2,6-dione C20H24N4O4 384.179755 NA MeJP NA NA +MJ051344 Becantone C22H28N2O2S 384.187148 NA MeJP NA NA +MJ051345 Perimetazine C22H28N2O2S 384.187148 NA MeJP NA NA +MJ051346 2-Hydroxy-1(10)-oplopene-4,9-dione; 2?-form, O-(4-Methoxybenzoyl) C23H28O5 384.193674 NA MeJP NA NA +MJ051347 5-Hydroxy-2,2-dimethyl-6-(2-methyl-1-oxobutyl)-10-(1-methylpropyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one C23H28O5 384.193674 NA MeJP NA NA +MJ051348 5-Hydroxy-2,2-dimethyl-6-(3-methyl-1-oxobutyl)-10-(1-methylpropyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one C23H28O5 384.193674 NA MeJP NA NA +MJ051349 5-Hydroxy-7-protoilluden-14-al, 5-(2,4-Dihydroxy-6-methylbenzoyl) C23H28O5 384.193674 NA MeJP NA NA +MJ051350 Bisabosqual A C23H28O5 384.193674 NA MeJP NA NA +MJ051351 Calanolide A; 12-Epimer, 12-Me ether C23H28O5 384.193674 NA MeJP NA NA +MJ051352 Calanolide A; Me ether C23H28O5 384.193674 NA MeJP NA NA +MJ051353 Cristatic acid C23H28O5 384.193674 NA MeJP NA NA +MJ051354 Dactylolide C23H28O5 384.193674 NA MeJP NA NA +MJ051355 Deflectin 1b C23H28O5 384.193674 NA MeJP NA NA +MJ051356 Malabaricone A; 3',4'-(Methylenedioxy), 2-Me ether C23H28O5 384.193674 NA MeJP NA NA +MJ051357 Piptoporic acid; 2,3-Dihydro, 3R-acetoxy C23H28O5 384.193674 NA MeJP NA NA +PJ000741 APPT C17H28N4O6 384.2009 NA PeJP NA NA +C04578 16-Methoxy-2,3-dihydro-3-hydroxytabersonine C22H28N2O4 384.2049 NA KEGG NA NA +C09236 Rhyncophylline C22H28N2O4 384.2049 NA KEGG NA NA +C16980 Isorhynchophylline C22H28N2O4 384.2049 NA KEGG NA NA +MJ051358 10-Methoxyyohimbine C22H28N2O4 384.204907 NA MeJP NA NA +MJ051359 11-Methoxyyohimbine C22H28N2O4 384.204907 NA MeJP NA NA +MJ051360 Aspidolimidine C22H28N2O4 384.204907 NA MeJP NA NA +MJ051361 Cathafoline; 11-Methoxy, 18-hydroxy C22H28N2O4 384.204907 NA MeJP NA NA +MJ051362 Cathafoline; 11-Methoxy, 19?,20?-epoxide C22H28N2O4 384.204907 NA MeJP NA NA +MJ051363 Cathafoline; 11-Methoxy, N4-oxide C22H28N2O4 384.204907 NA MeJP NA NA +MJ051364 Cathovaline; O-De-Ac C22H28N2O4 384.204907 NA MeJP NA NA +MJ051365 Corynoxine C22H28N2O4 384.204907 NA MeJP NA NA +MJ051366 Cylindrocarine, N-Formyl C22H28N2O4 384.204907 NA MeJP NA NA +MJ051367 Deserpidic acid; Me ester C22H28N2O4 384.204907 NA MeJP NA NA +MJ051368 Dihydrocorymine C22H28N2O4 384.204907 NA MeJP NA NA +MJ051369 Dihydrocorynantheine pseudoindoxyl C22H28N2O4 384.204907 NA MeJP NA NA +MJ051370 Dihydrocorynantheine, N-Oxide C22H28N2O4 384.204907 NA MeJP NA NA +MJ051371 Eglandine; 10-Methoxy C22H28N2O4 384.204907 NA MeJP NA NA +MJ051372 Gambirine C22H28N2O4 384.204907 NA MeJP NA NA +MJ051373 Herbaine C22H28N2O4 384.204907 NA MeJP NA NA +MJ051374 Hervine C22H28N2O4 384.204907 NA MeJP NA NA +MJ051375 Hirsutine; N-Oxide C22H28N2O4 384.204907 NA MeJP NA NA +MJ051376 Humantenirine; N4-Me C22H28N2O4 384.204907 NA MeJP NA NA +MJ051377 Isogambirine C22H28N2O4 384.204907 NA MeJP NA NA +MJ051378 Isovoacangine; 3-Hydroxy C22H28N2O4 384.204907 NA MeJP NA NA +MJ051379 Isovoacristine C22H28N2O4 384.204907 NA MeJP NA NA +MJ051380 Kopsinaline; 12-Methoxy C22H28N2O4 384.204907 NA MeJP NA NA +MJ051381 Minovincinine, 11-Methoxy C22H28N2O4 384.204907 NA MeJP NA NA +MJ051382 Raucanine C22H28N2O4 384.204907 NA MeJP NA NA +MJ051383 Rhyncophylline C22H28N2O4 384.204907 NA MeJP NA NA +MJ051384 Sitsirikine; 10-Methoxy C22H28N2O4 384.204907 NA MeJP NA NA +MJ051385 Spermostrychnine; 12-Hydroxy, 11-methoxy C22H28N2O4 384.204907 NA MeJP NA NA +MJ051386 Strychnorubigine C22H28N2O4 384.204907 NA MeJP NA NA +MJ051387 Strychnosplendine; 11-Methoxy, N1-Ac C22H28N2O4 384.204907 NA MeJP NA NA +MJ051388 Venenatine C22H28N2O4 384.204907 NA MeJP NA NA +MJ051389 Vincamajine; 19?-Hydroxy, 19,20-dihydro C22H28N2O4 384.204907 NA MeJP NA NA +MJ051390 Vincamine, 11-Methoxy C22H28N2O4 384.204907 NA MeJP NA NA +MJ051391 Vindolidine, O-De-Ac C22H28N2O4 384.204907 NA MeJP NA NA +MJ051392 Voacangine hydroxyindolenine C22H28N2O4 384.204907 NA MeJP NA NA +MJ051393 Voacangine; 3S-Hydroxy C22H28N2O4 384.204907 NA MeJP NA NA +MJ051394 Voacristine C22H28N2O4 384.204907 NA MeJP NA NA +MJ051395 Voaluteine C22H28N2O4 384.204907 NA MeJP NA NA +MJ051396 Echitamine C22H29N2O4(+) 384.204907 NA MeJP NA NA +MetaCyc03304 3-hydroxy-16-methoxy-2,3-dihydrotabersonine [16-methoxy-2,3-dihydro-3-hydroxytabersonine;] C22H28N2O4 384.204907 NA metacyc NA NA +MJ051397 7-[5-Chloro-2-(3-cyclohexyl-3-hydroxy-1-propenyl)-3-hydroxycyclopentyl]-5-heptenoic acid C21H33ClO4 384.206737 NA MeJP NA NA +MJ051398 7-[6,6-Difluoro-1-(3-hydroxy-1-octenyl)-3-oxobicyclo[3.1.0]hex-2-yl]-5-heptenoic acid C21H30F2O4 384.211215 NA MeJP NA NA +PJ000742 TKH C16H28N6O5 384.2121 NA PeJP NA NA +MJ051399 Diabroticin A; 1'-Deoxy C16H28N6O5 384.212118 NA MeJP NA NA +MJ051400 1,7,14,17,20-Pentahydroxy-15-kauranone C20H32O7 384.214803 NA MeJP NA NA +MJ051401 2,3-Epoxy-5,6,7,10,14,16-grayanotoxanehexol C20H32O7 384.214803 NA MeJP NA NA +MJ051402 3,4,11-Trihydroxy-6-eudesmen-8-one, 3-(2,3-Dihydroxy-2-methylbutanoyl) C20H32O7 384.214803 NA MeJP NA NA +MJ051403 Cinnzeylanol C20H32O7 384.214803 NA MeJP NA NA +MJ051404 Eufoboetol C20H32O7 384.214803 NA MeJP NA NA +MJ051405 Euphorrepinol C20H32O7 384.214803 NA MeJP NA NA +MJ051406 Perseanol C20H32O7 384.214803 NA MeJP NA NA +MJ051407 Lixazinone C21H28N4O3 384.21614 NA MeJP NA NA +MJ051408 [1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-piperidinyl]cyclopentylmethanone C21H28N4O3 384.21614 NA MeJP NA NA +MJ051409 Annonidine C; 2',3'-Epoxide C26H28N2O 384.220163 NA MeJP NA NA +MJ051410 1(10),4-Germacradiene-6,8-diol, 8-(4-Hydroxycinnamoyl)(E-) C24H32O4 384.230059 NA MeJP NA NA +MJ051411 1(10)-Guaiene-8,11-diol, 8-(4-Hydroxycinnamoyl) C24H32O4 384.230059 NA MeJP NA NA +MJ051412 1-(2,4,6-Trihydroxyphenyl)-6,9,12,15-octadecatetraen-1-one C24H32O4 384.230059 NA MeJP NA NA +MJ051413 1-(2,6-Dihydroxy-4-methoxyphenyl)-11-phenyl-1-undecanone C24H32O4 384.230059 NA MeJP NA NA +MJ051414 10(14)-Guaiene-4,6,8-triol, 8-Cinnamoyl C24H32O4 384.230059 NA MeJP NA NA +MJ051415 13-(3,4-Dihydroxyphenyl)-2,4,12-tridecatrienoic acid, Methylene ether, 2-methylpropyl ester C24H32O4 384.230059 NA MeJP NA NA +MJ051416 14-Hydroxy-3-oxobufa-20,22-dienolide C24H32O4 384.230059 NA MeJP NA NA +MJ051417 19-Norpregn-4-en-20-yne-3,17-diol, Di-Ac C24H32O4 384.230059 NA MeJP NA NA +MJ051418 3,14-Dihydroxybufa-4,20,22-trienolide C24H32O4 384.230059 NA MeJP NA NA +MJ051419 3-Hydroxy-15-oxobufa-20,22-dienolide C24H32O4 384.230059 NA MeJP NA NA +MJ051420 3-Hydroxy-4(15)-eudesmen-12-oic acid, 3-Phenylpropanoyl C24H32O4 384.230059 NA MeJP NA NA +MJ051421 4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-Cinnamoyl C24H32O4 384.230059 NA MeJP NA NA +MJ051422 7-Eudesmene-1,2,4-triol, 4-Cinnamoyl C24H32O4 384.230059 NA MeJP NA NA +MJ051423 7-Eudesmene-1,3,4-triol, 4-Cinnamoyl C24H32O4 384.230059 NA MeJP NA NA +MJ051424 8(12)-Drimen-11-ol, 2,4-Dihydroxycinnamoyl C24H32O4 384.230059 NA MeJP NA NA +MJ051425 8(12)-Drimen-11-ol, 3,4-Dihydroxycinnamoyl C24H32O4 384.230059 NA MeJP NA NA +MJ051426 8,9-Epoxy-4,6-daucanediol, 6-Cinnamoyl (E-) C24H32O4 384.230059 NA MeJP NA NA +MJ051427 8-Daucene-4,6-diol, 6-(4-Hydroxycinnamoyl) (E-) C24H32O4 384.230059 NA MeJP NA NA +MJ051428 8-Daucene-4,6-diol, 6-O-(4-Acetoxybenzoyl) C24H32O4 384.230059 NA MeJP NA NA +MJ051429 Antheliolide A; 8?,23-Epoxide C24H32O4 384.230059 NA MeJP NA NA +MJ051430 Bufogenin C24H32O4 384.230059 NA MeJP NA NA +MJ051431 Desfuranoazadiradione C24H32O4 384.230059 NA MeJP NA NA +MJ051432 Echinaxanthol; 8-Cinnamoyl C24H32O4 384.230059 NA MeJP NA NA +MJ051433 Epolone B C24H32O4 384.230059 NA MeJP NA NA +MJ051434 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-(Butanoylacetyl) C24H32O4 384.230059 NA MeJP NA NA +MJ051435 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 3,17-Dipropanoyl C24H32O4 384.230059 NA MeJP NA NA +MJ051436 Fekrynol C24H32O4 384.230059 NA MeJP NA NA +MJ051437 Kamolol C24H32O4 384.230059 NA MeJP NA NA +MJ051438 Megestrol; Ac C24H32O4 384.230059 NA MeJP NA NA +MJ051439 Peyssonol B C24H32O4 384.230059 NA MeJP NA NA +MJ051440 Rupestrinol orthocinnamate C24H32O4 384.230059 NA MeJP NA NA +MJ051441 Vernoeggersic acid C24H32O4 384.230059 NA MeJP NA NA +C08151 Megestrol acetate C24H32O4 384.2301 NA KEGG NA NA +C12724 Ethynodiol diacetate C24H32O4 384.2301 NA KEGG NA NA +C12725 Transferred to D01295 C24H32O4 384.2301 NA KEGG NA NA +C12726 Transferred to D01296 C24H32O4 384.2301 NA KEGG NA NA +C12727 Transferred to D01297 C24H32O4 384.2301 NA KEGG NA NA +C12728 Transferred to D01298 C24H32O4 384.2301 NA KEGG NA NA +C12729 Transferred to D01299 C24H32O4 384.2301 NA KEGG NA NA +C12730 Transferred to D01300 C24H32O4 384.2301 NA KEGG NA NA +C12731 Transferred to D01301 C24H32O4 384.2301 NA KEGG NA NA +C12732 Transferred to D01302 C24H32O4 384.2301 NA KEGG NA NA +C12733 Transferred to D01303 C24H32O4 384.2301 NA KEGG NA NA +C12734 Transferred to D01304 C24H32O4 384.2301 NA KEGG NA NA +C12735 Transferred to D01305 C24H32O4 384.2301 NA KEGG NA NA +C12736 Transferred to D01306 C24H32O4 384.2301 NA KEGG NA NA +C12737 Transferred to D01307 C24H32O4 384.2301 NA KEGG NA NA +C12738 Transferred to D01308 C24H32O4 384.2301 NA KEGG NA NA +C13077 Estradiol dipropionate C24H32O4 384.2301 NA KEGG NA NA +C13078 Transferred to D01618 C24H32O4 384.2301 NA KEGG NA NA +C13079 Transferred to D01619 C24H32O4 384.2301 NA KEGG NA NA +C13080 Transferred to D01620 C24H32O4 384.2301 NA KEGG NA NA +C13081 Transferred to D01621 C24H32O4 384.2301 NA KEGG NA NA +C13082 Transferred to D01622 C24H32O4 384.2301 NA KEGG NA NA +C13083 Transferred to D01623 C24H32O4 384.2301 NA KEGG NA NA +C13084 Transferred to D01624 C24H32O4 384.2301 NA KEGG NA NA +C15350 Estra-1,3,5(10)-triene-3,16alpha-diol dipropionate C24H32O4 384.2301 NA KEGG NA NA +C17058 Resibufogenin C24H32O4 384.2301 NA KEGG NA NA +3543 ACE inhibitor LRP 384.237 ACE inhibitor Inhouse_peptide NA peptide +7547 ACE inhibitor IRP 384.237 antioxidative Inhouse_peptide NA peptide +PJ000743 GPVL C18H32N4O5 384.2373 NA PeJP NA NA +EUR505 Acide eicosapentaenoique 20 :5 F3 F3 384.238325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR505 Acide eicosapentaenoique 20 :5 F3 NA 384.238325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR505 Acide eicosapentaenoique 20 :5 F3 F3 384.238325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR505 Acide eicosapentaenoique 20 :5 F3 NA 384.238325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR505 Acide eicosapentaenoique 20 :5 F3 F3 384.238325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR505 Acide eicosapentaenoique 20 :5 F3 NA 384.238325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR505 Acide eicosapentaenoique 20 :5 F3 F3 384.238325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR505 Acide eicosapentaenoique 20 :5 F3 F3 384.238325 standards wishlist analysés sur QTOF HMDB NA NA +EUR505 Acide eicosapentaenoique 20 :5 F3 F3 384.238325 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR505 Acide eicosapentaenoique 20 :5 F3 NA 384.238325 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR505 Acide eicosapentaenoique 20 :5 F3 F3 384.238325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR505 Acide eicosapentaenoique 20 :5 F3 F3 384.238325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ051442 2-Hydroxy-1-methylpropyl 6-methyl-1-(methylethyl)ergoline-8-carboxylic acid C23H32N2O3 384.241292 NA MeJP NA NA +MJ051443 Aspidolimine C23H32N2O3 384.241292 NA MeJP NA NA +MJ051444 Pyrifolidine C23H32N2O3 384.241292 NA MeJP NA NA +MJ051445 Vincaminoridine C23H32N2O3 384.241292 NA MeJP NA NA +MJ051446 Zipeprol C23H32N2O3 384.241292 NA MeJP NA NA +MJ051447 Ibutilide C20H36N2O3S 384.244663 NA MeJP NA NA +C07753 Ibutilide C20H36N2O3S 384.2447 NA KEGG NA NA +C07754 Transferred to D00648 C20H36N2O3S 384.2447 NA KEGG NA NA +PJ000744 PLR C17H32N6O4 384.2485 NA PeJP NA NA +MJ051448 3,4,11,12-Tetrahydroxy-7,15(17)-cembradien-16-oic acid, Me ester C21H36O6 384.251188 NA MeJP NA NA +MJ051449 Betaenone D C21H36O6 384.251188 NA MeJP NA NA +MJ051450 Muellitol C21H36O6 384.251188 NA MeJP NA NA +MJ051451 Thromboxane B2 C21H36O6 384.251188 NA MeJP NA NA +MJ051452 Epipolasinthiourea A C24H36N2S 384.259919 NA MeJP NA NA +MJ051453 Epipolasinthiourea B C24H36N2S 384.259919 NA MeJP NA NA +MJ051454 12'-Apo-?-carotene-3,12'-diol; 5?,6?-Epoxide C25H36O3 384.266445 NA MeJP NA NA +MJ051455 12-Hydroxy-16-scalarene-24,25-dial, 12-Ketone C25H36O3 384.266445 NA MeJP NA NA +MJ051456 15-Beyerene-14,19-diol, 19-Aldehyde, 14-angeloyl C25H36O3 384.266445 NA MeJP NA NA +MJ051457 15-Beyerene-14,19-diol, 19-Aldehyde, 14-tigloyl C25H36O3 384.266445 NA MeJP NA NA +MJ051458 17-Hydroxyestr-4-en-3-one; 17?-form, Cyclohexanecarboxylate C25H36O3 384.266445 NA MeJP NA NA +MJ051459 21-(2-Furanyl)-5,7-heneicosadiynoic acid C25H36O3 384.266445 NA MeJP NA NA +MJ051460 23,24,25,26,27-Pentanor-3-oxocycloartan-22,16-olide C25H36O3 384.266445 NA MeJP NA NA +MJ051461 3-Hydroxy-26,27-dinorcholesta-5,22-diene-7,24-dione C25H36O3 384.266445 NA MeJP NA NA +MJ051462 Aplysolide A C25H36O3 384.266445 NA MeJP NA NA +MJ051463 Cacospongionolide B; Deoxy C25H36O3 384.266445 NA MeJP NA NA +MJ051464 Cochliobolin C C25H36O3 384.266445 NA MeJP NA NA +MJ051465 Coscinalactone C25H36O3 384.266445 NA MeJP NA NA +MJ051466 Cyclolinteinone C25H36O3 384.266445 NA MeJP NA NA +MJ051467 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-Heptanoyl C25H36O3 384.266445 NA MeJP NA NA +MJ051468 Furoscalarol; 16-Ketone, O-de-Ac C25H36O3 384.266445 NA MeJP NA NA +MJ051469 Isodehydroluffariellolide C25H36O3 384.266445 NA MeJP NA NA +MJ051470 Lintenone C25H36O3 384.266445 NA MeJP NA NA +MJ051471 Luffarin E; 15Z-Isomer, 20-deoxy C25H36O3 384.266445 NA MeJP NA NA +MJ051472 Luffarin E; 20-Deoxy C25H36O3 384.266445 NA MeJP NA NA +MJ051473 Luffariolide A C25H36O3 384.266445 NA MeJP NA NA +MJ051474 Ophiobolin C; 6-Epimer, 14?-hydroxy, 3-deoxy, 3,4-didehydro C25H36O3 384.266445 NA MeJP NA NA +MJ051475 Ophiobolin I C25H36O3 384.266445 NA MeJP NA NA +MJ051476 Ophiobolin J; 8-Deoxy C25H36O3 384.266445 NA MeJP NA NA +MJ051477 Ophiobolin K C25H36O3 384.266445 NA MeJP NA NA +MJ051478 Persicachrome C25H36O3 384.266445 NA MeJP NA NA +MetaCyc03305 C25-allenic-apo-aldehyde [] C25H36O3 384.266445 NA metacyc NA NA +MJ051479 9,11,15-Trihydroxy-10,10-dimethyl-13-prostenoic acid C22H40O5 384.287574 NA MeJP NA NA +MJ051480 Glutamine, N2-Hexadecanoyl C21H40N2O4 384.298807 NA MeJP NA NA +MJ051481 24,25,26,27-Tetranor-3-oxocycloartan-23-al C26H40O2 384.30283 NA MeJP NA NA +MJ051482 24-Norcholest-5-ene-3,7-dione C26H40O2 384.30283 NA MeJP NA NA +MJ051483 3-(1,1-Dimethylheptyl)-6a,7,10,10a-tetrahydro-1-methoxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran C26H40O2 384.30283 NA MeJP NA NA +MJ051484 3-(1,1-Dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-methoxy-6,6-dimethyl-9-methylene-6H-dibenzo[b,d]pyran C26H40O2 384.30283 NA MeJP NA NA +MJ051485 3-Hydroxy-24-norcholesta-5,22-dien-7-one C26H40O2 384.30283 NA MeJP NA NA +MJ051486 3-Hydroxy-27-norcholesta-5,25-dien-24-one C26H40O2 384.30283 NA MeJP NA NA +MJ051487 Calicoferol H C26H40O2 384.30283 NA MeJP NA NA +MJ051488 Ceriferol 1; 23-Carboxylic acid, Me ester C26H40O2 384.30283 NA MeJP NA NA +MJ051489 Pregna-14,16-diene-3,20-diamine, N3,N3,N20-Tri-Me, N20-formyl C25H40N2O 384.314063 NA MeJP NA NA +MJ051490 Xestamine A C25H40N2O 384.314063 NA MeJP NA NA +MJ051491 1,2-Dihydroxy-12,15-heneicosadien-4-one, 12,13,15,16-Tetrahydro, 1-Ac C23H44O4 384.323959 NA MeJP NA NA +MJ051492 5-Alkyl-3,5-dimethyl-1,2-dioxolane-3-acetic acids; 5-Hexadecyl-3,5-dimethyl-1,2-dioxolane-3-acetic acid C23H44O4 384.323959 NA MeJP NA NA +MJ051493 Amphiasterin B2; 13',14'-Dihydro C23H44O4 384.323959 NA MeJP NA NA +MJ051494 Tricosanedioic acid C23H44O4 384.323959 NA MeJP NA NA +HMDB11543 MG(0:0/20:1(11Z)/0:0) C23H44O4 384.323975 NA HMDB2010 NA NA +HMDB11573 MG(20:1(11Z)/0:0/0:0) C23H44O4 384.323975 NA HMDB2010 NA NA +EUR094 cholecalciferol C27H44O 384.3392 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR094 cholecalciferol C27H44O 384.3392 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR094 cholecalciferol C27H44O 384.3392 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR094 cholecalciferol C27H44O 384.3392 Wishlist Inhousejuil11 NA NA +C00599 Cholest-4-en-3-one C27H44O 384.3392 NA KEGG NA NA +C01164 Cholesta-5,7-dien-3beta-ol C27H44O 384.3392 NA KEGG NA NA +C01802 Desmosterol C27H44O 384.3392 NA KEGG NA NA +C05104 delta7,24-Cholestadien-3beta-ol C27H44O 384.3392 NA KEGG NA NA +C05437 Zymosterol C27H44O 384.3392 NA KEGG NA NA +C05439 5alpha-Cholesta-7,24-dien-3beta-ol C27H44O 384.3392 NA KEGG NA NA +C05443 Vitamin D3 C27H44O 384.3392 NA KEGG NA NA +C07711 Previtamin D(3) C27H44O 384.3392 NA KEGG NA NA +HMDB00032 7-Dehydrocholesterol C27H44O 384.339203 NA HMDB2010 NA NA +HMDB00876 Vitamin D3 C27H44O 384.339203 NA HMDB2010 NA NA +HMDB00921 Cholestenone C27H44O 384.339203 NA HMDB2010 NA NA +HMDB02027 8-Dehydrocholesterol C27H44O 384.339203 NA HMDB2010 NA NA +HMDB02719 Desmosterol C27H44O 384.339203 NA HMDB2010 NA NA +HMDB06271 Zymosterol intermediate 2 C27H44O 384.339203 NA HMDB2010 NA NA +HMDB06500 Previtamin D3 C27H44O 384.339203 NA HMDB2010 NA NA +HMDB06505 Lumisterol 3 C27H44O 384.339203 NA HMDB2010 NA NA +HMDB06560 Tachysterol 3 C27H44O 384.339203 NA HMDB2010 NA NA +HMDB06719 5,6-trans-Vitamin D3 C27H44O 384.339203 NA HMDB2010 NA NA +HMDB06842 5a-Cholesta-7,24-dien-3b-ol C27H44O 384.339203 NA HMDB2010 NA NA +HMDB12178 5Alpha-cholesta-8-en-3-one C27H44O 384.339203 NA HMDB2010 NA NA +EUR094 cholecalciferol C27H44O 384.339215 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR094 cholecalciferol C27H44O 384.339215 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR094 cholecalciferol C27H44O 384.339215 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR094 cholecalciferol C27H44O 384.339215 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR094 cholecalciferol C27H44O 384.339215 Wishlist HMDB NA NA +EUR094 cholecalciferol C27H44O 384.339215 Wishlist Inhouse_PFEM NA NA +EUR094 cholecalciferol C27H44O 384.339215 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR094 cholecalciferol C27H44O 384.339215 Wishlist PFEM_hmdb_metabocards_official NA NA +MJ051495 Cholesta-5,7-dien-3beta-ol C27H44O 384.339216 NA MeJP NA NA +MJ051496 Cholesta-7,24-dien-3beta-ol C27H44O 384.339216 NA MeJP NA NA +MJ051497 Cholest-4-en-3-one C27H44O 384.339216 NA MeJP NA NA +MJ051498 Desmosterol C27H44O 384.339216 NA MeJP NA NA +MJ051499 Vitamin D3 C27H44O 384.339216 NA MeJP NA NA +MJ051500 Zymosterol C27H44O 384.339216 NA MeJP NA NA +MJ051501 11-Methyl-4,23-hexacosadiene-1,25-diyn-3-ol C27H44O 384.339216 NA MeJP NA NA +MJ051502 22,29,30-Trinor-21-hopanone C27H44O 384.339216 NA MeJP NA NA +MJ051503 24,26-Cyclocholesterol C27H44O 384.339216 NA MeJP NA NA +MJ051504 27-Norergosta-5,22-dien-3-ol C27H44O 384.339216 NA MeJP NA NA +MJ051505 27-Norergosta-7,22-dien-3-ol C27H44O 384.339216 NA MeJP NA NA +MJ051506 9,10-Secocholesta-5,7,10(19)-trien-3-ol C27H44O 384.339216 NA MeJP NA NA +MJ051507 Cericerene; 13?-Ethoxy C27H44O 384.339216 NA MeJP NA NA +MJ051508 Cholest-4-en-3-one C27H44O 384.339216 NA MeJP NA NA +MJ051509 Cholesta-22,24-dien-3-ol C27H44O 384.339216 NA MeJP NA NA +MJ051510 Cholesta-5,20-dien-3-ol C27H44O 384.339216 NA MeJP NA NA +MJ051511 Cholesta-5,22-dien-3-ol C27H44O 384.339216 NA MeJP NA NA +MJ051512 Cholesta-5,24-dien-3-ol C27H44O 384.339216 NA MeJP NA NA +MJ051513 Cholesta-5,7-dien-3-ol C27H44O 384.339216 NA MeJP NA NA +MJ051514 Cholesta-5,8-dien-3-ol C27H44O 384.339216 NA MeJP NA NA +MJ051515 Cholesta-7,22-dien-3-ol C27H44O 384.339216 NA MeJP NA NA +MJ051516 Cholesta-8,24-dien-3-ol C27H44O 384.339216 NA MeJP NA NA +MJ051517 Gracilipene C27H44O 384.339216 NA MeJP NA NA +MJ051518 Papakusterol; 5?,6-Dihydro C27H44O 384.339216 NA MeJP NA NA +MJ051519 Trisnorisoespinenoxide C27H44O 384.339216 NA MeJP NA NA +MetaCyc03306 zymosterol [5α-cholesta-8,24-dien-3β-ol;δ8, 24-cholestadien-3β-ol;] C27H44O1 384.339216 128-33-6 metacyc NA NA +MetaCyc03307 5α-cholesta-7,24-dien-3β-ol [5α-cholesta-7,24-dien-3-β-ol;(24R)-cholest-5-ene 3-β,7-α,24-triol;] C27H44O1 384.339216 NA metacyc NA NA +MetaCyc03308 desmosterol [desmosterol;24-dehydrocholesterol;Δ5,24-cholestadien-3-β-ol;desmesterol;24-dehydrocholesterol;] C27H44O1 384.339216 313-04-2 metacyc NA NA +MetaCyc03309 cholest-4-en-3-one [cholestenone;4-cholesten-3-one;] C27H44O1 384.339216 601-57-0 metacyc NA NA +MetaCyc03310 7-dehydro-cholesterol [7-dehydro-cholesterol;cholesta-5,7-dien-3 β-ol;cholesta-5,7-dienol;7-dehydrocholesterol;cholesta-5,7-dien-3β-ol;] C27H44O1 384.339216 434-16-2 metacyc NA NA +HMDB00032 7-Dehydrocholesterol C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB00032 PFEM_hmdb_metabocards_urine NA urine +HMDB00032 7-Dehydrocholesterol C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB00032 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00876 Vitamin D3 C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB00876 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02027 8-Dehydrocholesterol C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB02027 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02719 Desmosterol C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB02719 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06500 Previtamin D3 C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB06500 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00032 7-Dehydrocholesterol C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB00032 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00032 7-Dehydrocholesterol C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB00032 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00032 7-Dehydrocholesterol C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB00032 HMDB NA NA +HMDB00876 Vitamin D3 C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB00876 HMDB NA NA +HMDB00921 Cholestenone C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB00921 HMDB NA NA +HMDB00997 5a-Cholesta-7,24-dien-3b-ol C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB00997 HMDB NA NA +HMDB02027 8-Dehydrocholesterol C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB02027 HMDB NA NA +HMDB02719 Desmosterol C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB02719 HMDB NA NA +HMDB06271 zymosterol intermediate 2 C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB06271 HMDB NA NA +HMDB06500 Previtamin D3 C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB06500 HMDB NA NA +HMDB06505 Lumisterol 3 C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB06505 HMDB NA NA +HMDB06560 Tachysterol 3 C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB06560 HMDB NA NA +HMDB06719 5,6-trans-Vitamin D3 C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB06719 HMDB NA NA +HMDB06842 5alpha-Cholesta-7,24-dien-3beta-ol C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB06842 HMDB NA NA +HMDB00032 7-Dehydrocholesterol C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB00032 PFEM_hmdb_metabocards_blood NA blood +HMDB00876 Vitamin D3 C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB00876 PFEM_hmdb_metabocards_blood NA blood +HMDB02027 8-Dehydrocholesterol C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB02027 PFEM_hmdb_metabocards_blood NA blood +HMDB02719 Desmosterol C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB02719 PFEM_hmdb_metabocards_blood NA blood +HMDB06500 Previtamin D3 C27H44O 384.33923 http://www.hmdb.ca/metabolites/HMDB06500 PFEM_hmdb_metabocards_blood NA blood +HMDB00032 7-Dehydrocholesterol C27H44O 384.33923 HMDB00032 PFEM_hmdb_metabocards_official NA NA +HMDB00876 Vitamin D3 C27H44O 384.33923 HMDB00876 PFEM_hmdb_metabocards_official NA NA +HMDB00921 Cholestenone C27H44O 384.33923 HMDB00921 PFEM_hmdb_metabocards_official NA NA +HMDB00997 5a-Cholesta-7,24-dien-3b-ol C27H44O 384.33923 HMDB00997 PFEM_hmdb_metabocards_official NA NA +HMDB02027 8-Dehydrocholesterol C27H44O 384.33923 HMDB02027 PFEM_hmdb_metabocards_official NA NA +HMDB02719 Desmosterol C27H44O 384.33923 HMDB02719 PFEM_hmdb_metabocards_official NA NA +HMDB06271 zymosterol intermediate 2 C27H44O 384.33923 HMDB06271 PFEM_hmdb_metabocards_official NA NA +HMDB06500 Previtamin D3 C27H44O 384.33923 HMDB06500 PFEM_hmdb_metabocards_official NA NA +HMDB06505 Lumisterol 3 C27H44O 384.33923 HMDB06505 PFEM_hmdb_metabocards_official NA NA +HMDB06560 Tachysterol 3 C27H44O 384.33923 HMDB06560 PFEM_hmdb_metabocards_official NA NA +HMDB06719 5,6-trans-Vitamin D3 C27H44O 384.33923 HMDB06719 PFEM_hmdb_metabocards_official NA NA +HMDB06842 5alpha-Cholesta-7,24-dien-3beta-ol C27H44O 384.33923 HMDB06842 PFEM_hmdb_metabocards_official NA NA +C10795 Buxamine E C26H44N2 384.3504 NA KEGG NA NA +MJ051520 Buxamine I; N20,N20-Di-Me C26H44N2 384.350449 NA MeJP NA NA +MJ051521 Buxamine I; N3,N3-Di-Me C26H44N2 384.350449 NA MeJP NA NA +MJ051522 Buxupapine; N20-De-Me C26H44N2 384.350449 NA MeJP NA NA +MJ051523 Papilamine C26H44N2 384.350449 NA MeJP NA NA +MJ051524 15-Hydroxytricosanoic acid; Me ether C24H48O3 384.360345 NA MeJP NA NA +MJ051525 2-Hydroxy-22-methyltricosanoic acid C24H48O3 384.360345 NA MeJP NA NA +MJ051526 2-Hydroxytetracosanoic acid C24H48O3 384.360345 NA MeJP NA NA +MJ051527 24-Hydroxytetracosanoic acid C24H48O3 384.360345 NA MeJP NA NA +MJ051528 3-Hydroxytetracosanoic acid C24H48O3 384.360345 NA MeJP NA NA +MJ051529 24,28-Dinoroleanane; 18?-form C28H48 384.375601 NA MeJP NA NA +MJ051530 25,30-Dinorhopane; 17à H-form C28H48 384.375601 NA MeJP NA NA +MJ051531 25,30-Dinorneohopane; 18à H-form C28H48 384.375601 NA MeJP NA NA +MJ051532 28,30-Dinorhopane C28H48 384.375601 NA MeJP NA NA +MJ051533 5,10-Pentacosanediol C25H52O2 384.39673 NA MeJP NA NA +MJ051534 6,8-Pentacosanediol C25H52O2 384.39673 NA MeJP NA NA +MJ051535 10,10-Dimethyl-7-hexacosanone C26H56O 384.433116 NA MeJP NA NA +7903 peptide from bovine b-lactoglobulin WYSLAM 384.6677 MH2+ Inhouse_peptide NA peptide +MJ051536 2,4,7(3,4,7)-Tribromo-3(2)-chloro-1H-indole C8H3Br3ClN 384.750414 NA MeJP NA NA +MJ051537 Odiline C11H9Br2N5O 384.917385 NA MeJP NA NA +MJ051538 Lissoclinotoxin A; 8-(Methylthio), Me ether C11H15NO2S6 384.942702 NA MeJP NA NA +MJ051539 Benoxafos C12H14Cl2NO3PS2 384.952976 NA MeJP NA NA +MJ051540 [2-Chloro-2-[4-chloro-5-hydroxy-3-methyl-3-(4-methyl-3-pentenyl)cyclohexylidene]ethyl]carbonimidic dichloride C16H23Cl4NO 385.053375 NA MeJP NA NA +MJ051541 Iometopane C16H20INO2 385.053872 NA MeJP NA NA +CJneg0579 Citric acid [2M-H]- (13C) C11[13]CH15O14 385.057925 C18rt(min)=1.09 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0579 Citric acid [2M-H]- (13C) C11[13]CH15O14 385.057925 C18rt(min)=1.09 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ051542 6,8-Dimethoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Me ester C19H15NO8 385.079766 NA MeJP NA NA +MJ051543 7,8-Dimethoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Me ester C19H15NO8 385.079766 NA MeJP NA NA +MJ051544 Antibiotic M 53A2 C15H19N3O7S 385.09437 NA MeJP NA NA +MJ051545 2,3-Dihydro-3,5-dihydroxy-2-oxo-1H-indole-3-acetic acid, 5-O-?-D-Glucopyranoside C16H19NO10 385.100895 NA MeJP NA NA +MJ051546 2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid, 5-O-?-D-Glucopyranoside C16H19NO10 385.100895 NA MeJP NA NA +MJ051547 2,3-Dihydro-3,7-dihydroxy-2-oxo-1H-indole-3-acetic acid, 7-O-?-D-Glucopyranoside C16H19NO10 385.100895 NA MeJP NA NA +C03431 S-Inosyl-L-homocysteine C14H19N5O6S 385.1056 NA KEGG NA NA +MJ051548 Chromopyrrolic acid C22H15N3O4 385.106255 NA MeJP NA NA +MJ051549 4-[3-(4-Hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxo-1-imidazolidinyl]-2-trifluoromethylbenzonitrile C17H18F3N3O2S 385.107182 NA MeJP NA NA +MJ051550 1-[(4-Chlorophenyl)methyl]-4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidine C21H21Cl2N3 385.111253 NA MeJP NA NA +HMDB01408 Phosphatidylserine C13H24NO10P 385.11377 http://www.hmdb.ca/metabolites/HMDB01408 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01408 Phosphatidylserine C13H24NO10P 385.11377 http://www.hmdb.ca/metabolites/HMDB01408 HMDB NA NA +HMDB01408 Phosphatidylserine C13H24NO10P 385.11377 http://www.hmdb.ca/metabolites/HMDB01408 PFEM_hmdb_metabocards_blood NA blood +HMDB01408 Phosphatidylserine C13H24NO10P 385.11377 HMDB01408 PFEM_hmdb_metabocards_official NA NA +MJ051551 Bicucine C20H19NO7 385.116151 NA MeJP NA NA +MJ051552 Intebrine C20H19NO7 385.116151 NA MeJP NA NA +MJ051553 Tepoxalin C20H20ClN3O3 385.119319 NA MeJP NA NA +C13993 Ciprofloxacin hydrochloride C17H18FN3O3 385.1205 NA KEGG NA NA +C13994 Transferred to D02217 C17H18FN3O3 385.1205 NA KEGG NA NA +C13995 Transferred to D02218 C17H18FN3O3 385.1205 NA KEGG NA NA +C13996 Transferred to D02219 C17H18FN3O3 385.1205 NA KEGG NA NA +C13997 Transferred to D02220 C17H18FN3O3 385.1205 NA KEGG NA NA +C13998 Transferred to D02221 C17H18FN3O3 385.1205 NA KEGG NA NA +C13999 Transferred to D02418 C17H18FN3O3 385.1205 NA KEGG NA NA +C14000 Transferred to D02222 C17H18FN3O3 385.1205 NA KEGG NA NA +PJ000745 DDH C14H19N5O8 385.1234 NA PeJP NA NA +MJ051554 Sarafloxacin C20H17F2N3O3 385.123797 NA MeJP NA NA +MJ051555 Nilvadipine C19H19N3O6 385.127385 NA MeJP NA NA +MJ051556 Nocardicin G C19H19N3O6 385.127385 NA MeJP NA NA +MJ051557 Tunichrome Mm 1 C19H19N3O6 385.127385 NA MeJP NA NA +C17355 Nocardicin G C19H19N3O6 385.1274 NA KEGG NA NA +C15550 Anthocyanin 3'-O-beta-D-glucoside C21H21O7 385.1287 NA KEGG NA NA +PJ000746 TCY C16H23N3O6S 385.1308 NA PeJP NA NA +MJ051558 Acetorphan C21H23NO4S 385.134778 NA MeJP NA NA +C09610 Polycarpine C21H23NO6 385.1525 NA KEGG NA NA +MJ051559 2-Demethylcolchicine C21H23NO6 385.152537 NA MeJP NA NA +MJ051560 3-Demethylcolchicine C21H23NO6 385.152537 NA MeJP NA NA +MJ051561 6-(1-Hydroxyethyl)-4-methyl-7-oxo-3-[[(5,6,7,8-tetrahydro-5-oxo-1-naphthalenyl)oxy]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid C21H23NO6 385.152537 NA MeJP NA NA +MJ051562 ?-Lumicolchicine; 5,12-Diepimer, N-de-Ac, N-formyl C21H23NO6 385.152537 NA MeJP NA NA +MJ051563 ?-Lumicolchicine; 5,9-Diepimer, O2-de-Me C21H23NO6 385.152537 NA MeJP NA NA +MJ051564 ?-Lumicolchicine; 5,9-Diepimer, O3-de-Me C21H23NO6 385.152537 NA MeJP NA NA +MJ051565 ?-Lumicolchicine; N-De-Ac, N-formyl C21H23NO6 385.152537 NA MeJP NA NA +MJ051566 ?-Lumicolchicine; O2-De-Me C21H23NO6 385.152537 NA MeJP NA NA +MJ051567 ?-Lumicolchicine; O3-De-Me C21H23NO6 385.152537 NA MeJP NA NA +MJ051568 Alkaloid K4 C21H23NO6 385.152537 NA MeJP NA NA +MJ051569 Buntanmine A C21H23NO6 385.152537 NA MeJP NA NA +MJ051570 Canadaline, 2'-Carboxylic acid C21H23NO6 385.152537 NA MeJP NA NA +MJ051571 Chelamidine C21H23NO6 385.152537 NA MeJP NA NA +MJ051572 Colchiceine C21H23NO6 385.152537 NA MeJP NA NA +MJ051573 Glaucamine C21H23NO6 385.152537 NA MeJP NA NA +MJ051574 Leucoxylonine, N-De-Me C21H23NO6 385.152537 NA MeJP NA NA +MJ051575 Leucoxylonine, O8-De-Me C21H23NO6 385.152537 NA MeJP NA NA +MJ051576 Mecambridine, 11-O-De-methyl, natural form C21H23NO6 385.152537 NA MeJP NA NA +MJ051577 N-Deacetylcolchicine, N-Formyl C21H23NO6 385.152537 NA MeJP NA NA +MJ051578 Oreogenine C21H23NO6 385.152537 NA MeJP NA NA +MJ051579 Papaverrubine B C21H23NO6 385.152537 NA MeJP NA NA +MJ051580 Papaverrubine C; Me ether C21H23NO6 385.152537 NA MeJP NA NA +MJ051581 Papaverrubine D; N-Me C21H23NO6 385.152537 NA MeJP NA NA +MJ051582 Papaverrubine F C21H23NO6 385.152537 NA MeJP NA NA +MJ051583 Polycarpine C21H23NO6 385.152537 NA MeJP NA NA +MJ051584 Raddeanine C21H23NO6 385.152537 NA MeJP NA NA +MJ051585 Radixisatidis A C21H23NO6 385.152537 NA MeJP NA NA +MJ051586 Renierol; 1,2-Dihydro, O-angeloyl, N-(3-oxo-1-butenyl) C21H23NO6 385.152537 NA MeJP NA NA +MJ051587 Thaicanine, 8-Oxo C21H23NO6 385.152537 NA MeJP NA NA +MJ051588 Thalimonine; N-Oxide C21H23NO6 385.152537 NA MeJP NA NA +MJ051589 Triniifoline C21H23NO6 385.152537 NA MeJP NA NA +MJ051590 Yenhusomine C21H23NO6 385.152537 NA MeJP NA NA +MJ051591 Antibiotic OS 3256B C15H23N5O7 385.159748 NA MeJP NA NA +PJ000747 TEH C15H23N5O7 385.1598 NA PeJP NA NA +MJ051592 Valethamate(1+); Bromide C19H32BrNO2 385.161641 NA MeJP NA NA +MJ051593 Bioxalomycin ?1; 10,13-Quinone C20H23N3O5 385.16377 NA MeJP NA NA +PJ000748 GFY C20H23N3O5 385.1638 NA PeJP NA NA +MJ051594 Bulgarsenine; N-(Chloromethyl) C19H29ClNO5(+) 385.1656 NA MeJP NA NA +MJ051595 Paucicaline C18H27NO8 385.173666 NA MeJP NA NA +MJ051596 Ruzorine C18H27NO8 385.173666 NA MeJP NA NA +MJ051597 Sceleratine; N-Oxide C18H27NO8 385.173666 NA MeJP NA NA +MJ051598 N-(1-Methyl-2-phenylethyl)adenosine C19H23N5O4 385.175004 NA MeJP NA NA +PJ000749 VMH C16H27N5O4S 385.1784 NA PeJP NA NA +MJ051599 Virenamide E C21H27N3O2S 385.182397 NA MeJP NA NA +7702 ACE inhibitor from human plasma YLYEIA 385.1865 MH2+ Inhouse_peptide NA peptide +C16709 O-Methylandrocymbine C22H27NO5 385.1889 NA KEGG NA NA +C16714 Kreysigine C22H27NO5 385.1889 NA KEGG NA NA +MJ051600 ?-Lumicolchicine; N-De-Ac, N,N-di-Me C22H27NO5 385.188922 NA MeJP NA NA +MJ051601 Androbine, O10-Me C22H27NO5 385.188922 NA MeJP NA NA +MJ051602 Androbine, O2-Me C22H27NO5 385.188922 NA MeJP NA NA +MJ051603 Androcymbine, Me ether C22H27NO5 385.188922 NA MeJP NA NA +MJ051604 Antibiotic BE 48021 C22H27NO5 385.188922 NA MeJP NA NA +MJ051605 Asparagamine A C22H27NO5 385.188922 NA MeJP NA NA +MJ051606 Capaurine, Me ether C22H27NO5 385.188922 NA MeJP NA NA +MJ051607 Crociflorinine C22H27NO5 385.188922 NA MeJP NA NA +MJ051608 Delbidine; 13-Ac C22H27NO5 385.188922 NA MeJP NA NA +MJ051609 Delnuttaline C22H27NO5 385.188922 NA MeJP NA NA +MJ051610 Demecolcine, N-Me C22H27NO5 385.188922 NA MeJP NA NA +MJ051611 Kreysigine C22H27NO5 385.188922 NA MeJP NA NA +MJ051612 Muramine C22H27NO5 385.188922 NA MeJP NA NA +MJ051613 N-(3,4-Dihydroxycinnamoyl)dopamine, N,O,O,O,O-Penta-Me C22H27NO5 385.188922 NA MeJP NA NA +MJ051614 Stemofoline; (E)-Isomer, 1',2'-didehydro(E-) C22H27NO5 385.188922 NA MeJP NA NA +MJ051615 Stemofoline; 1',2'-Didehydro(E-) C22H27NO5 385.188922 NA MeJP NA NA +MJ051616 Szovitsinine, O2-Me, N-oxide (?-) C22H27NO5 385.188922 NA MeJP NA NA +MJ051617 Thaicanine, Me ether C22H27NO5 385.188922 NA MeJP NA NA +MJ051618 Thalicpureine C22H27NO5 385.188922 NA MeJP NA NA +MJ051619 Thalicsimidine C22H27NO5 385.188922 NA MeJP NA NA +MJ051620 Uvariopsamine; N-Oxide C22H27NO5 385.188922 NA MeJP NA NA +MJ051621 Catalpifoline, 5?-Hydroxy, N,N-di-Me C22H28NO5(+) 385.188923 NA MeJP NA NA +MJ051622 Thaicanine, N-Me C22H28NO5(+) 385.188923 NA MeJP NA NA +3040 Inhibitor of fibrinogen and thrombin coagulation GPRG 385.195 celiac toxic Inhouse_peptide NA peptide +PJ000750 AAPQ C16H27N5O6 385.1962 NA PeJP NA NA +PJ000751 PNR C15H27N7O5 385.2074 NA PeJP NA NA +MJ051623 Bamifylline C20H27N5O3 385.211389 NA MeJP NA NA +C09152 Echitamine C22H29N2O4 385.2127 NA KEGG NA NA +MJ051624 Propioxatin B C18H31N3O6 385.221285 NA MeJP NA NA +MJ051625 Antibiotic F 1839A; 2-Deoxy C23H31NO4 385.225308 NA MeJP NA NA +MJ051626 Puhinamide; 2'',3''-Dihydro C23H31NO4 385.225308 NA MeJP NA NA +MJ051627 Spirodihydrobenzofuranlactam I C23H31NO4 385.225308 NA MeJP NA NA +MJ051628 Stachyflin C23H31NO4 385.225308 NA MeJP NA NA +MJ051629 Yuzurimine B; 9,22-Didehydro, N-oxide, Ac C23H31NO4 385.225308 NA MeJP NA NA +PJ000752 AAPK C17H31N5O5 385.2325 NA PeJP NA NA +MJ051630 8-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-8-azaspiro[4.5]decane-7,9-dione C22H31N3O3 385.236541 NA MeJP NA NA +MJ051631 Taziprinone C22H31N3O3 385.236541 NA MeJP NA NA +MJ051632 Buspirone C21H31N5O2 385.247775 NA MeJP NA NA +C06861 Buspirone C21H31N5O2 385.2478 NA KEGG NA NA +C06862 Transferred to D00248 C21H31N5O2 385.2478 NA KEGG NA NA +C12056 Actinonin C19H35N3O5 385.2577 NA KEGG NA NA +MJ051633 Antibiotic BE 52211 C24H35NO3 385.261693 NA MeJP NA NA +MJ051634 Ascosalipyrrolidinone B C24H35NO3 385.261693 NA MeJP NA NA +MJ051635 Aspochalasin C; 17-Deoxy C24H35NO3 385.261693 NA MeJP NA NA +MJ051636 Denudatine; O15-Ac C24H35NO3 385.261693 NA MeJP NA NA +MJ051637 Piericidin; Piericidin A1, 5-Demethoxy C24H35NO3 385.261693 NA MeJP NA NA +MJ051638 Temiverine C24H35NO3 385.261693 NA MeJP NA NA +MJ051639 Veatchine; 15-Epimer, Ac C24H35NO3 385.261693 NA MeJP NA NA +C08703 Ovatine C24H35NO3 385.2617 NA KEGG NA NA +MJ051640 Myriocin; 4-Deoxy C21H39NO5 385.282823 NA MeJP NA NA +HMDB13330 3-Hydroxy-cis-5-tetradecenoylcarnitine C21H39NO5 385.282837 NA HMDB2010 NA NA +MJ051641 Buxtauine M; N-Me C25H39NO2 385.298079 NA MeJP NA NA +MJ051642 Cyclobuxoviridine L; N-De-Me, 16?-hydroxy C25H39NO2 385.298079 NA MeJP NA NA +C15013 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione C25H39NO2 385.2981 NA KEGG NA NA +MJ051643 2-Amino-1,3-octadecanediol, N,3-Di-Ac C22H43NO4 385.319208 NA MeJP NA NA +MJ051644 3-Hydroxy-2-octadecylindole C26H43NO 385.334465 NA MeJP NA NA +3217 casoxin (fr,33-38 of bovine kappa-casein) SRYPSY 385.6715 MH2+ Inhouse_peptide NA peptide +MJ051645 2,3,5-Tribromo-6-(1-oxopropyl)-4H-pyran-4-one C8H5Br3O3 385.778881 NA MeJP NA NA +MJ051646 4-Bromo-3-butyl-5-(dibromomethylene)-2(5H)-furanone C9H9Br3O2 385.815267 NA MeJP NA NA +C14327 Heptachlor epoxide C10H5Cl7O 385.816 NA KEGG NA NA +MJ051647 8-Bromo-1,3,4,7-tetrachloro-7-chloromethyl-3-methyl-1,5-octadiene C10H12BrCl5 385.856501 NA MeJP NA NA +MJ051648 cis-2,3-Dihydrodiol 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane C14H11Cl5O2 385.920168 NA MeJP NA NA +C06649 cis-2,3-Dihydrodiol 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane C14H11Cl5O2 385.9202 NA KEGG NA NA +MJ051649 3',6-Dichloro-4',5,7-trihydroxyisoflavone; 8-Chloro, 7-Me ether C16H9Cl3O5 385.951556 NA MeJP NA NA +MJ051650 Deoxyokamurallene C15H16Br2O2 385.951705 NA MeJP NA NA +MJ051651 Isomaneonene A C15H16Br2O2 385.951705 NA MeJP NA NA +C08082 Tioconazole C16H13Cl3N2OS 385.9814 NA KEGG NA NA +C08083 Transferred to D00891 C16H13Cl3N2OS 385.9814 NA KEGG NA NA +C08084 Transferred to D00892 C16H13Cl3N2OS 385.9814 NA KEGG NA NA +C08085 Transferred to D00893 C16H13Cl3N2OS 385.9814 NA KEGG NA NA +MJ051652 Tioconazole C16H13Cl3N2OS 385.981416 NA MeJP NA NA +C11125 Sulfentrazone C11H10Cl2F2N4O3S 385.9819 NA KEGG NA NA +C14413 Triphenyltin chloride C18H15ClSn 385.9884 NA KEGG NA NA +MJ051653 Quazepam C17H11ClF4N2S 386.026759 NA MeJP NA NA +C07336 Quazepam C17H11ClF4N2S 386.0268 NA KEGG NA NA +C07337 Transferred to D00458 C17H11ClF4N2S 386.0268 NA KEGG NA NA +MJ051654 Salazinic acid; 1''-Aldehyde C18H10O10 386.027396 NA MeJP NA NA +MetaCyc03311 glutathione-sulfite [] C10H16N3O9S2 386.032796 NA metacyc NA NA +MJ051655 4-tert-Butyl-2-(chloromercuri)phenol C10H13ClHgO 386.036118 NA MeJP NA NA +MJ051656 Mebrofenin C15H19BrN2O5 386.047734 NA MeJP NA NA +MJ051657 7-Chloro-2-(3-furanyl)-1,3,8-trimethoxyxanthone C20H15ClO6 386.055715 NA MeJP NA NA +MJ051658 Antibiotic WP 3688-5 C19H14O9 386.063782 NA MeJP NA NA +MJ051659 Austrocorticinic acid; 1'-Oxo, 4-hydroxy C19H14O9 386.063782 NA MeJP NA NA +MJ051660 Dothistromin; 2-Me ether C19H14O9 386.063782 NA MeJP NA NA +MJ051661 Shoyuflavone A C19H14O9 386.063782 NA MeJP NA NA +MJ051662 Stictic acid C19H14O9 386.063782 NA MeJP NA NA +MJ051663 Fluconazole; Dihydrogen phosphate ester C13H13F2N6O4P 386.070395 NA MeJP NA NA +MJ051664 Antibiotic C 1778B; Ac C15H18N2O8S 386.078386 NA MeJP NA NA +C15666 (7R)-7-(4-Carboxybutanamido)cephalosporanate C15H18N2O8S 386.0784 NA KEGG NA NA +MJ051665 Sphagnorubin A C23H14O6 386.079038 NA MeJP NA NA +MJ051666 Piposulfan C12H22N2O8S2 386.081757 NA MeJP NA NA +C03156 O-Feruloylgalactarate C16H18O11 386.0849 NA KEGG NA NA +C03157 O-Phospho-tau-protein C16H18O11 386.0849 NA KEGG NA NA +MJ051667 5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 7-Me ether, 5-O-?-D-glucopyranoside C16H18O11 386.084911 NA MeJP NA NA +MetaCyc03312 O-feruloylgalactarate [] C16H18O11 386.084911 NA metacyc NA NA +MJ051668 Antibiotic AJI 9561 C22H14N2O5 386.090271 NA MeJP NA NA +MJ051669 Antibiotic UK 1 C22H14N2O5 386.090271 NA MeJP NA NA +FL3FA9GS0007 Chrysin 5-xyloside C20H18O8 386.10016 94293-82-0 knapsack NA NA +FL3FEGNS0010 5,6,7,3'-Tetramethoxy-4',5'-methylenedioxyflavone C20H18O8 386.10016 89029-10-7 knapsack NA NA +FL3FEGNS0011 5,3',4',5'-Tetramethoxy-6,7-methylenedioxyflavone C20H18O8 386.10016 132185-74-1 knapsack NA NA +FL3FGCNS0014 Linderoflavone B;Lucidin dimethyl ether;5,6,7,8-Tetramethoxy-3',4'-(methylenedioxy)flavone;2-(1,3-Benzodioxol-5-yl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one C20H18O8 386.10016 3162-42-3 knapsack NA NA +FL5FECNS0043 Melisimplexin;3,5,6,7-Tetramethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-3,5,6,7-tetramethoxy-4H-1-benzopyran-4-one C20H18O8 386.10016 479-77-6 knapsack NA NA +FL5FFANS0020 Pollenitin 8-butyrate C20H18O8 386.10016 69306-83-8 knapsack NA NA +FL5FFCNS0033 Meliternin C20H18O8 386.10016 569-18-6 knapsack NA NA +FLIAEGNS0003 Irisflorentin;5,3',4',5'-Tetramethoxy-6,7-methylenedioxyisoflavone C20H18O8 386.10016 41743-73-1 knapsack NA NA +FLIAGCNS0001 5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone C20H18O8 386.10016 51986-38-0 knapsack NA NA +MJ051670 2',3,4,4',5,5'-Hexahydroxylignan-9,9'-olide, 3,4:4',5'-Bis(methylene) ether C20H18O8 386.100167 NA MeJP NA NA +MJ051671 3',4',5,5',6,7-Hexahydroxyflavone; 4',5'-Methylene, 3',5,6,7-tetra-Me ether C20H18O8 386.100167 NA MeJP NA NA +MJ051672 3',4',5,5',6,7-Hexahydroxyflavone; 6,7-Methylene, 3',4',5,5'-tetra-Me ether C20H18O8 386.100167 NA MeJP NA NA +MJ051673 3',4',5,5',6,7-Hexahydroxyisoflavone; 6,7-Methylene, 3',4',5,5'-tetra-Me ether C20H18O8 386.100167 NA MeJP NA NA +MJ051674 3',4',5,6,7,8-Hexahydroxyflavone; 5,6,7,8-Tetra-Me, 3',4'-methylene ether C20H18O8 386.100167 NA MeJP NA NA +MJ051675 3',4',5,6,7,8-Hexahydroxyisoflavone; 5,6,7,8-Tetra-Me, 3',4'-Methylene ether C20H18O8 386.100167 NA MeJP NA NA +MJ051676 3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, 3',5-Di-Me ether C20H18O8 386.100167 NA MeJP NA NA +MJ051677 3,3',4',5,6,7-Hexahydroxyflavone; 3',4'-Methylene, 3,5,6,7-tetra-Me ether C20H18O8 386.100167 NA MeJP NA NA +MJ051678 3,3',4',5,7,8-Hexahydroxyflavone; 3',4'-methylene, 3,5,7,8-tetra-Me ether C20H18O8 386.100167 NA MeJP NA NA +MJ051679 3,3',4,4',8,9-Hexahydroxy-7,9'-epoxylignan-7'-one; 3,4:3',4'-Bis(methylene) ether C20H18O8 386.100167 NA MeJP NA NA +MJ051680 3,4',5,7,8-Pentahydroxyflavone; 7-Me ether, 8-O-butanoyl C20H18O8 386.100167 NA MeJP NA NA +MJ051681 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 9,9'-Dicarboxylic acid, 3',5-di-Me ether C20H18O8 386.100167 NA MeJP NA NA +MJ051682 4,8-Dihydroxysesamin C20H18O8 386.100167 NA MeJP NA NA +MJ051683 5,5'-Diferulic acid C20H18O8 386.100167 NA MeJP NA NA +MJ051684 5,7-Dihydroxyflavone; 5-O-?-D-Xylopyranoside C20H18O8 386.100167 NA MeJP NA NA +MJ051685 Arboreol C20H18O8 386.100167 NA MeJP NA NA +MJ051686 Atanasin C20H18O8 386.100167 NA MeJP NA NA +MJ051687 Cleomiscosin A C20H18O8 386.100167 NA MeJP NA NA +MJ051688 Cleomiscosin B C20H18O8 386.100167 NA MeJP NA NA +MJ051689 Dehydrodicaffeic acid dilactone; 3,3'-Di-Me ether C20H18O8 386.100167 NA MeJP NA NA +MJ051690 Dehydrodiferulic acid C20H18O8 386.100167 NA MeJP NA NA +MJ051691 Feudomycin C; 10?-Hydroxy, aglycone C20H18O8 386.100167 NA MeJP NA NA +MJ051692 Gummadiol C20H18O8 386.100167 NA MeJP NA NA +MJ051693 Hemidesmin 2 C20H18O8 386.100167 NA MeJP NA NA +MJ051694 Moluccanin C20H18O8 386.100167 NA MeJP NA NA +MJ051695 O4,5'-Biferulic acid C20H18O8 386.100167 NA MeJP NA NA +MJ051696 O4,?'-Biferulic acid C20H18O8 386.100167 NA MeJP NA NA +MJ051697 Simplexolin C20H18O8 386.100167 NA MeJP NA NA +MJ051698 Wodeshiol C20H18O8 386.100167 NA MeJP NA NA +MJ051699 ?,5'-Biferulic acid C20H18O8 386.100167 NA MeJP NA NA +MJ051700 ?-Rhodomycinone C20H18O8 386.100167 NA MeJP NA NA +MetaCyc03313 glucosyloxyanthraquinone [] C20H18O8 386.100168 NA metacyc NA NA +C03503 Glucosyloxyanthraquinone C20H18O8 386.1002 NA KEGG NA NA +C09922 Cleomiscosin A C20H18O8 386.1002 NA KEGG NA NA +C09924 Daphneticin C20H18O8 386.1002 NA KEGG NA NA +C10446 Diferulic acid C20H18O8 386.1002 NA KEGG NA NA +C17958 Irisflorentin C20H18O8 386.1002 NA KEGG NA NA +MJ051701 Putidolumazine C14H18N4O9 386.107378 NA MeJP NA NA +MJ051702 3,6-Dibenzyl-3,6-bis(methylthio)-2,5-piperazinedione C20H22N2O2S2 386.112269 NA MeJP NA NA +MJ051703 7-Chloro-5-[(3,5-dimethyl-1-piperazinyl)carbonyl]imidazo[1,5-a]quinoline-3-carboxylic acid C19H19ClN4O3 386.114568 NA MeJP NA NA +FL1CA9NN0001 8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin C24H18O5 386.11542 73536-03-5 knapsack NA NA +FL2FA9NN0002 Calomelanol J;3,4,7,8-Tetrahydro-5-hydroxy-4,8-diphenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione C24H18O5 386.11542 143291-31-0 knapsack NA NA +MJ051704 8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin C24H18O5 386.115423 NA MeJP NA NA +MJ051705 Calomelanol E; 4',4''-Dideoxy C24H18O5 386.115423 NA MeJP NA NA +MJ051706 Ohioensin C; 3-Me ether C24H18O5 386.115423 NA MeJP NA NA +MJ051707 Rubiflavin C1; Bisdeglycosyl C24H18O5 386.115423 NA MeJP NA NA +MJ051708 1-O-p-Coumaroylglucose; ?-D-form, 3',5'-Dimethoxy C17H22O10 386.121296 NA MeJP NA NA +MJ051709 3-(2,4,5-Trihydroxyphenyl)-2-propenoic acid, 4,5-Di-Me ether, 2-O-?-D-glucopyranoside C17H22O10 386.121296 NA MeJP NA NA +MJ051710 3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3,5-Di-Me ether, 4-O-?-D-glucopyranoside C17H22O10 386.121296 NA MeJP NA NA +MJ051711 3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3,5-Di-Me ether, ?-D-glucopyranosyl ester C17H22O10 386.121296 NA MeJP NA NA +MJ051712 6-O-p-Coumaroylglucose, 3',5'-Dimethoxy C17H22O10 386.121296 NA MeJP NA NA +MJ051713 Arbutin; 6-O-(3,4-Dihydroxy-2-methylenebutanoyl)(R-) C17H22O10 386.121296 NA MeJP NA NA +MJ051714 Hedyotoside C17H22O10 386.121296 NA MeJP NA NA +MetaCyc03314 1-sinapoyl-D-glucose [] C17H22O10 386.121297 29881-39-8 metacyc NA NA +MetaCyc03315 1-O-sinapoyl-β-D-glucose [1-O-sinapoyl β-D-glucoside;] C17H22O10 386.121297 NA metacyc NA NA +C01175 1-O-Sinapoyl-beta-D-glucose C17H22O10 386.1213 NA KEGG NA NA +C02919 4-O-beta-D-Glucosyl-sinapate C17H22O10 386.1213 NA KEGG NA NA +MJ051715 3-Hydroxykynurenine, O-Glucoside C16H22N2O9 386.13253 NA MeJP NA NA +FL1C99GS0001 4'-Hydroxychalcone 4'-glucoside C21H22O7 386.13655 82784-43-8 knapsack NA NA +FL2FALNI0016 Kenusanone D C21H22O7 386.13655 144161-81-9 knapsack NA NA +FL2FALNI0030 Kushenol V;5,7,2',4'-Tetrahydroxy-5'-methoxy-6-prenylflavanone C21H22O7 386.13655 254886-75-4 knapsack NA NA +FL2FALNI0031 Kushenol W;5,7,2',4'-Tetrahydroxy-5'-methoxy-8-prenylflavanone C21H22O7 386.13655 254886-76-5 knapsack NA NA +FL4DADNI0001 3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone C21H22O7 386.13655 104696-10-8 knapsack NA NA +FL5FABNI0002 Icaritin C21H22O7 386.13655 - knapsack NA NA +FL5FDANI0003 Topazolin hydrate;5,7-Dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-3-methoxy-4H-1-benzopyran-4-one C21H22O7 386.13655 109605-84-7 knapsack NA NA +FLIA1LNI0003 Kwakhurin hydrate;7,4',6'-Trihydroxy-3'-methoxy-2'-(3-hydroxy-3-methylbutyl)isoflavone C21H22O7 386.13655 111922-30-6 knapsack NA NA +FLIBHXNI0001 Secundifloran C21H22O7 386.13655 63882-44-0 knapsack NA NA +MJ051716 1,2,3,6,8-Pentahydroxy-7-isopropylanthraquinone; 1,2,3,6-Tetra-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051717 1-(4-Hydroxyphenyl)-3-phenyl-2-propen-1-one; O-?-D-Glucopyranoside C21H22O7 386.136553 NA MeJP NA NA +MJ051718 2',3',4',5,7-Pentahydroxy-5'-prenylisoflavanone, 4'-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051719 2',3,3',4',7-Pentahydroxy-5'-prenylisoflavanone, 4'-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051720 2',3,4',5,7-Pentahydroxy-3'-prenylisoflavanone; 2'-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051721 2',4',5',7-Tetrahydroxy-6'-prenylisoflavone; 2'',3''-Dihydro, 3''-hydroxy, 5'-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051722 2',4',5,5',7-Pentahydroxy-6-prenylflavanone, 5'-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051723 2',4',5,5',7-Pentahydroxy-8-prenylflavanone, 5'-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051724 2',4',5,6',7-Pentahydroxy-8-prenylflavanone, 4'-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051725 2,3-Dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, 3-O-Angeloyl, 1'-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051726 3,3',4',5,7-Pentahydroxy-8-prenylflavanone, 3'-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051727 3,3',4,4',5-Pentahydroxylign-7-en-9,9'-olide, 3,3',4-Tri-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051728 3,3',4,4',5-Pentahydroxylign-7-en-9,9'-olide, 3,3',5-Tri-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051729 3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3',4'-Methylene, 3,4-di-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051730 3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3',4'-Methylene, 3,5-di-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051731 3,3',4,4',8-Pentahydroxylignan-9,9'-olide, 3',4'-Methylene, 3,4-di-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051732 3,4',5,7-Tetrahydroxy-6-prenylflavone; 2'',3''-Dihydro, 3''-hydroxy, 3-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051733 3-Heptene-1,2,5,6,7-pentol; 1,5-Dibenzoyl C21H22O7 386.136553 NA MeJP NA NA +MJ051734 3-Heptene-1,2,5,6,7-pentol; 1,7-Dibenzoyl C21H22O7 386.136553 NA MeJP NA NA +MJ051735 3-[6-Hydroxy-4'-(hydroxyoxiranylmethyl)-2',5,6'-trimethoxy[1,1'-biphenyl]-3-yl]-2-propenal C21H22O7 386.136553 NA MeJP NA NA +MJ051736 4,5-Demethylene-7-deoxypodophyllotoxin C21H22O7 386.136553 NA MeJP NA NA +MJ051737 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,5',9,9'-hexol, 9-Aldehyde, 3',5,5'-tri-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051738 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 9-Carboxylic acid, 3',5-di-Me ether, Me ester C21H22O7 386.136553 NA MeJP NA NA +MJ051739 4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; Bis-O-(2,3-epoxy-3-methylbutyl) C21H22O7 386.136553 NA MeJP NA NA +MJ051740 7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione C21H22O7 386.136553 NA MeJP NA NA +MJ051741 Annulin B C21H22O7 386.136553 NA MeJP NA NA +MJ051742 Averantin; 1'-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051743 Averantin; 6-Me ether C21H22O7 386.136553 NA MeJP NA NA +MJ051744 Aviprin, 2'-Angeloyl C21H22O7 386.136553 NA MeJP NA NA +MJ051745 Aviprin, 2'-O-(3-Methyl-2-butenoyl) C21H22O7 386.136553 NA MeJP NA NA +MJ051746 Decursidinol, 3'-O-Angeloyl, 4'-O-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051747 Decursidinol, 4'-O-(3-Methyl-2-butenoyl), 3'-O-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051748 Decursidinol, 4'-O-Angeloyl, 3'-O-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051749 Divaronic acid C21H22O7 386.136553 NA MeJP NA NA +MJ051750 Guayadequiol C21H22O7 386.136553 NA MeJP NA NA +MJ051751 Heraclenol, 2'-O-(3-Methyl-2-butenoyl) C21H22O7 386.136553 NA MeJP NA NA +MJ051752 Heraclenol, 3'-O-Angeloyl C21H22O7 386.136553 NA MeJP NA NA +MJ051753 Khellactone, 10-Angeloyl, 9-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051754 Khellactone, 10-O-(3-Methyl-2-butenoyl), 9-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051755 Khellactone, 9-Angeloyl, 10-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051756 Khellactone, 9-O-(3-Methyl-2-butenoyl), 10-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051757 Khellactone, 10-Tigloyl, 9-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051758 Khellactone, 9-Angeloyl, 10-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051759 Khellactone, 10-Angeloyl, 9-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051760 Khellactone, 10-O-(3-Methyl-2-butenoyl), 9-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051761 Khellactone, 10-Tigloyl, 9-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051762 Khellactone, 9-Tigloyl, 10-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051763 Khellactone, 10-Angeloyl, 9-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051764 Khellactone, 10-Tigloyl, 9-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051765 Khellactone, 9-Angeloyl, 10-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051766 Khellactone, 9-O-(3-Methyl-2-butenoyl), 10-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051767 Methoxypiperitol C21H22O7 386.136553 NA MeJP NA NA +MJ051768 Psorospermindiol; O4'-Et C21H22O7 386.136553 NA MeJP NA NA +MJ051769 Secondifloran C21H22O7 386.136553 NA MeJP NA NA +MJ051770 Spironaphthodione C21H22O7 386.136553 NA MeJP NA NA +MJ051771 Trichostin C21H22O7 386.136553 NA MeJP NA NA +MJ051772 Vaginidiol; 1''-O-(3-Methyl-2-butenoyl), 3'-O-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051773 Vaginidiol; 1''-O-Angeloyl, 3'-O-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051774 Vaginidiol; 3'-O-(3-Methyl-2-butenoyl), 1''-O-Ac C21H22O7 386.136553 NA MeJP NA NA +MJ051775 Vaginidiol; 3'-O-Angeloyl, 1''-O-Ac C21H22O7 386.136553 NA MeJP NA NA +C09270 Isosamidin C21H22O7 386.1366 NA KEGG NA NA +C09284 Peucenidin C21H22O7 386.1366 NA KEGG NA NA +C09307 Pteryxin C21H22O7 386.1366 NA KEGG NA NA +C09310 Samidin C21H22O7 386.1366 NA KEGG NA NA +C14948 2-(4-Ethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one C21H22O7 386.1366 NA KEGG NA NA +PJ000753 CQH C14H22N6O5S 386.1373 NA PeJP NA NA +MJ051776 2-Amino-3-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-ethanamine, N,N'-Ac C20H22N2O6 386.147786 NA MeJP NA NA +MJ051777 3-Amino-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-ethanamine, N,N'-Di-Ac C20H22N2O6 386.147786 NA MeJP NA NA +MJ051778 Mesoridazine C21H26N2OS2 386.148654 NA MeJP NA NA +C07143 Mesoridazine C21H26N2OS2 386.1487 NA KEGG NA NA +MJ051779 Clonitazene C20H23ClN4O2 386.150953 NA MeJP NA NA +FL3FA9NP0002 Fulvinervin B;(E)-5-Hydroxy-8,8-dimethyl-6-(3-methyl-1,3-butadienyl)-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one;5-Hydroxy-8,8-dimethyl-6-[(1E)-3-methyl-1,3-butadienyl]-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C25H22O4 386.1518 99877-72-2 knapsack NA NA +MJ051780 Fulvinervin B C25H22O4 386.151809 NA MeJP NA NA +MJ051781 Tetrapterol B C25H22O4 386.151809 NA MeJP NA NA +7689 ACE inhibitor from ovalbumin NIFYCP 386.15495 MH2+ Inhouse_peptide NA peptide +PJ000754 GSSH C14H22N6O7 386.155 NA PeJP NA NA +MJ051782 (2,5-Dihydroxyphenyl)acetic acid; 5-Butyl ether, 2-O-?-D-glucopyranoside C18H26O9 386.157682 NA MeJP NA NA +MJ051783 2-O-?-L-Rhamnopyranosyl-L-arabinose; ?-Pyranose-form, Benzyl glycoside C18H26O9 386.157682 NA MeJP NA NA +MJ051784 3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3',4',5'-Tri-Me ether, 1-O-?-D-glucopyranoside C18H26O9 386.157682 NA MeJP NA NA +MJ051785 5,6,7,8-Tetrahydroxy-2,6-dodecadienoic acid; 6,7,8-Tri-Ac C18H26O9 386.157682 NA MeJP NA NA +MJ051786 6-(1-Methylpropyl)-1,2,4-benzenetriol, 1-O-(6-Acetyl-?-D-glucopyranoside) C18H26O9 386.157682 NA MeJP NA NA +MJ051787 Macrosphelide A; 13,14-Dihydro, 13-ethoxy, 15-ketone C18H26O9 386.157682 NA MeJP NA NA +MJ051788 Sinapyl alcohol, 1-Me ether, 4'-O-?-D-glucopyranoside C18H26O9 386.157682 NA MeJP NA NA +PJ000755 APPC C16H26N4O5S 386.1624 NA PeJP NA NA +C11093 Cyhexatin C18H34OSn 386.1632 NA KEGG NA NA +MJ051789 N-?-Alanyldopamine; 3-O-?-D-Glucopyranoside C17H26N2O8 386.168915 NA MeJP NA NA +MJ051790 N-?-Alanyldopamine; 4-O-?-D-Glucopyranoside C17H26N2O8 386.168915 NA MeJP NA NA +C10547 Burseran C22H26O6 386.1729 NA KEGG NA NA +C10561 (+)-Eudesmin C22H26O6 386.1729 NA KEGG NA NA +FL6DDANI0001 3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol C22H26O6 386.17293 76265-09-3 knapsack NA NA +FL6DDANI0002 4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol C22H26O6 386.17293 72357-34-7 knapsack NA NA +MJ051791 1,2-Bis(3,4,5-trihydroxyphenyl)propane; 4''-(2-Propenyl), 3'',5',5''-tri-Me, 3',4'-methylene ether C22H26O6 386.172938 NA MeJP NA NA +MJ051792 10-(3,4-Dihydroxyphenyl)-3,5,7-decatrien-1-ol, Tri-Ac C22H26O6 386.172938 NA MeJP NA NA +MJ051793 2,3-Bis(3,4-dimethoxybenzyl)-4,5-dihydro-2(3H)-furanone C22H26O6 386.172938 NA MeJP NA NA +MJ051794 2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4,5-trihydroxyphenyl)propane; 3,4-Methylene, 3',5,5'-tri-Me ether C22H26O6 386.172938 NA MeJP NA NA +MJ051795 3',4,4',5,9-Pentahydroxy-9,9'-epoxy-2,7'-cyclolignan, 3',5-Di-Me, 9-Et ether C22H26O6 386.172938 NA MeJP NA NA +MJ051796 3,20-Epoxy-6,15-dihydroxy-5,16-kauradiene-1,7-dione, 15-Ac C22H26O6 386.172938 NA MeJP NA NA +MJ051797 3,3',4,4',5-Pentahydroxy-7,7'-epoxylignan, 3,4,5-Tri-Me, 3',4'-methylene ether C22H26O6 386.172938 NA MeJP NA NA +MJ051798 3,4,4',5,7-Pentahydroxy-8-prenylflavan, 3,5-Di-Me ether C22H26O6 386.172938 NA MeJP NA NA +MJ051799 3,4,4',5,7-Pentahydroxy-8-prenylflavan, 4,5-Di-Me ether C22H26O6 386.172938 NA MeJP NA NA +MJ051800 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-Angeloyl, 3-Ac C22H26O6 386.172938 NA MeJP NA NA +MJ051801 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-Tigloyl, 3-Ac C22H26O6 386.172938 NA MeJP NA NA +MJ051802 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(5-Acetoxy-3,7-dimethyl-2,6-octadienyl), O8-Me C22H26O6 386.172938 NA MeJP NA NA +MJ051803 ?-Schizandrin, O3'-De-Me C22H26O6 386.172938 NA MeJP NA NA +MJ051804 Antibiotic PI 220 C22H26O6 386.172938 NA MeJP NA NA +MJ051805 Burseran C22H26O6 386.172938 NA MeJP NA NA +MJ051806 Coleon Z C22H26O6 386.172938 NA MeJP NA NA +MJ051807 Crotoxide A; 11,18-Didehydro, 12?-hydroxy, 1-Ac C22H26O6 386.172938 NA MeJP NA NA +MJ051808 Debenzoyltashironin; 9-Benzoyl C22H26O6 386.172938 NA MeJP NA NA +MJ051809 Eriocalyxin A; 16,17-Didehydro, 15?-alcohol, 15-Ac C22H26O6 386.172938 NA MeJP NA NA +MJ051810 Eudesmin C22H26O6 386.172938 NA MeJP NA NA +MJ051811 Eusiderin A C22H26O6 386.172938 NA MeJP NA NA +MJ051812 Furaquinocin H; 1',6'-Dideoxy C22H26O6 386.172938 NA MeJP NA NA +MJ051813 Furaquinocin H; 5',6'-Dideoxy C22H26O6 386.172938 NA MeJP NA NA +MJ051814 Gelomulide C; 1,2-Didehydro, 6?-acetoxy C22H26O6 386.172938 NA MeJP NA NA +MJ051815 Gibbestatin B C22H26O6 386.172938 NA MeJP NA NA +MJ051816 Gingerenone A; 5''-Methoxy C22H26O6 386.172938 NA MeJP NA NA +MJ051817 Gingerenone A; 5'-Methoxy C22H26O6 386.172938 NA MeJP NA NA +MJ051818 Icetexone; 19-Deoxo, 19R-acetoxy C22H26O6 386.172938 NA MeJP NA NA +MJ051819 Kadsuranin; O3-De-Me C22H26O6 386.172938 NA MeJP NA NA +MJ051820 Maglifloenone C22H26O6 386.172938 NA MeJP NA NA +MJ051821 Matairesinol, Di-Me ether C22H26O6 386.172938 NA MeJP NA NA +MJ051822 Mirandin A C22H26O6 386.172938 NA MeJP NA NA +MJ051823 Mortonin A C22H26O6 386.172938 NA MeJP NA NA +MJ051824 Myricanol; Ketone, 12-hydroxy, 5-Me ether C22H26O6 386.172938 NA MeJP NA NA +MJ051825 Pachypostaudin B C22H26O6 386.172938 NA MeJP NA NA +MJ051826 Pinnatin C; 2-Ac C22H26O6 386.172938 NA MeJP NA NA +MJ051827 Piperulin C C22H26O6 386.172938 NA MeJP NA NA +MJ051828 Pitholide A; 7'-Deoxy C22H26O6 386.172938 NA MeJP NA NA +MJ051829 Rubschisandrin, 3'-O-De-Me C22H26O6 386.172938 NA MeJP NA NA +MJ051830 Rubschisandrin, 5'-O-De-Me C22H26O6 386.172938 NA MeJP NA NA +MJ051831 Rubschisandrin, 3'-O-De-Me C22H26O6 386.172938 NA MeJP NA NA +MJ051832 Triandrin A C22H26O6 386.172938 NA MeJP NA NA +PJ000756 CKH C15H26N6O4S 386.1736 NA PeJP NA NA +MJ051833 Olamufloxacin C20H23FN4O3 386.175418 NA MeJP NA NA +PJ000757 AAPE C16H26N4O7 386.1802 NA PeJP NA NA +MJ051834 14-Bromo-1-obtusene-3,11-diol C20H35BrO2 386.182043 NA MeJP NA NA +MJ051835 3-Bromo-13,15-isocopalanediol C20H35BrO2 386.182043 NA MeJP NA NA +MJ051836 3-Bromo-13-labdene-8,15-diol C20H35BrO2 386.182043 NA MeJP NA NA +MJ051837 3-Bromo-14-labdene-8,13-diol C20H35BrO2 386.182043 NA MeJP NA NA +MJ051838 6-Bromo-5,9-eicosadienoic acid C20H35BrO2 386.182043 NA MeJP NA NA +3513 ACE inhibitor (as1-CN 142-147) LAYFYP 386.1835 MH2+ Inhouse_peptide NA peptide +MJ051839 Compactinervine; 11-Methoxy C21H26N2O5 386.184171 NA MeJP NA NA +MJ051840 Compactinervine; 12-Methoxy C21H26N2O5 386.184171 NA MeJP NA NA +MJ051841 Echitamidine, 12-Methoxy, Nb-oxide C21H26N2O5 386.184171 NA MeJP NA NA +MJ051842 Echitamine; N4-De-Me, N-oxide C21H26N2O5 386.184171 NA MeJP NA NA +MJ051843 3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(3-Chloro-2-hydroxy-2-methylbutanoyl) C20H31ClO5 386.186001 NA MeJP NA NA +PJ000758 PDR C15H26N6O6 386.1914 NA PeJP NA NA +MJ051844 3,4-Dihydroxy-5,7-megastigmadien-9-one; 3-O-?-D-Glucopyranoside C19H30O8 386.194067 NA MeJP NA NA +MJ051845 3,4-Dihydroxy-5,7-megastigmadien-9-one; 4-O-?-D-Glucopyranoside C19H30O8 386.194067 NA MeJP NA NA +MJ051846 3,5-Dihydroxy-6,7-megastigmadien-9-one; (S)axial Diastereomer, 5-O-?-D-glucopyranoside C19H30O8 386.194067 NA MeJP NA NA +MJ051847 3,5-Dihydroxy-6,7-megastigmadien-9-one; 3-O-?-D-Glucopyranoside C19H30O8 386.194067 NA MeJP NA NA +MJ051848 3,5-Dihydroxy-6,7-megastigmadien-9-one; 5-O-?-D-Glucopyranoside C19H30O8 386.194067 NA MeJP NA NA +MJ051849 3-Hydroxy-5,7-megastigmadien-9-one, 7?,8?-Epoxide, 3-O-?-D-glucopyranoside C19H30O8 386.194067 NA MeJP NA NA +MJ051850 6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-?-D-Glucopyranoside C19H30O8 386.194067 NA MeJP NA NA +MJ051851 9,11-Dihydroxy-4,7-megastigmadien-3-one; 11-O-?-D-Glucopyranoside C19H30O8 386.194067 NA MeJP NA NA +MJ051852 9,13-Dihydroxy-4,7-megastigmadien-3-one, 9-O-?-D-Glucopyranoside C19H30O8 386.194067 NA MeJP NA NA +MJ051853 Medibazine C25H26N2O2 386.199428 NA MeJP NA NA +MJ051854 Sufentanil C22H30N2O2S 386.202798 NA MeJP NA NA +C08022 Sufentanil C22H30N2O2S 386.2028 NA KEGG NA NA +C08023 Transferred to D00845 C22H30N2O2S 386.2028 NA KEGG NA NA +3564 NA LSPA 386.205 ACE inhibitor Inhouse_peptide NA peptide +C09927 Euglobal-Ia1 C23H30O5 386.2093 NA KEGG NA NA +C09966 Robustadial A C23H30O5 386.2093 NA KEGG NA NA +C14651 16alpha,17alpha-Epoxy-3,20-dioxopregn-4-en-21-yl acetate C23H30O5 386.2093 NA KEGG NA NA +C15185 21-Acetyloxy-17-hydroxypregna-1,4-diene-3,20-dione C23H30O5 386.2093 NA KEGG NA NA +MJ051855 1-Hydroxy-2,6-humuladien-15-al; 4-Hydroxy-3-methoxybenzoyl C23H30O5 386.209324 NA MeJP NA NA +MJ051856 2,4-Dihydroxy-6-pentylbenzoic acid; 3-Hydroxy-5-pentylphenyl ester C23H30O5 386.209324 NA MeJP NA NA +MJ051857 3,14,19-Trihydroxycarda-5,20(22)-dienolide, 19-Aldehyde C23H30O5 386.209324 NA MeJP NA NA +MJ051858 3,14-Dihydroxy-19-oxocarda-4,20(22)-dienolide C23H30O5 386.209324 NA MeJP NA NA +MJ051859 3,5-Dihydroxy-19-oxocarda-14,20(22)-dienolide C23H30O5 386.209324 NA MeJP NA NA +MJ051860 4,6-Dihydroxy-7-daucen-9-one, 6-(4-Methoxybenzoyl) C23H30O5 386.209324 NA MeJP NA NA +MJ051861 4,6-Dihydroxy-8-daucen-10-one, 6-(4-Methoxybenzoyl) C23H30O5 386.209324 NA MeJP NA NA +MJ051862 4,6-Dihydroxy-8-daucen-2-one, 6-(4-Methoxybenzoyl) C23H30O5 386.209324 NA MeJP NA NA +MJ051863 4-Scirpenol, O-(6R,7R-Epoxy-2Z,4E-octadienoyl) C23H30O5 386.209324 NA MeJP NA NA +MJ051864 5,10-Dihydroxy-8-daucen-2-one, 10-(4-Methoxybenzoyl) C23H30O5 386.209324 NA MeJP NA NA +MJ051865 5-(3,7-Dimethyl-2,6-octadienyl)-2-(1-hydroxyisopropyl)-4,6-benzofurandiol, 4-Ac C23H30O5 386.209324 NA MeJP NA NA +MJ051866 6,9-Dihydroxy-7-drimene-11,12-dial, 6-(2,4,6-Octatrienoyl)(all-E-) C23H30O5 386.209324 NA MeJP NA NA +MJ051867 7,12-Dihydroxy-5,8,12-abietatriene-11,14-dione; 7?-form, 12-Me ether, 7-Ac C23H30O5 386.209324 NA MeJP NA NA +MJ051868 7-Protoilludene-5,14-diol, 5-(2,4-Dihydroxy-6-methylbenzoyl) C23H30O5 386.209324 NA MeJP NA NA +MJ051869 7-[3-Hydroxy-2-(3-hydroxy-5-phenyl-1-pentenyl)-5-oxocyclopentyl]-5-heptenoic acid C23H30O5 386.209324 NA MeJP NA NA +MJ051870 8,10-Dihydroxy-3-longipinen-5-one, 8,10-Bis-O-(2-methylpropenoyl) C23H30O5 386.209324 NA MeJP NA NA +MJ051871 8-Daucene-4,6-diol, 6-(3,4-Methylenedioxybenzoyl) C23H30O5 386.209324 NA MeJP NA NA +MJ051872 Ankaflavin C23H30O5 386.209324 NA MeJP NA NA +MJ051873 Aspergillodiol; 21-Aldehyde, 12-Ac C23H30O5 386.209324 NA MeJP NA NA +MJ051874 Asperugin; O-De-Me C23H30O5 386.209324 NA MeJP NA NA +MJ051875 Bisabosqual A; 15-Alcohol C23H30O5 386.209324 NA MeJP NA NA +MJ051876 Cochleamycin B; O-De-Ac, O-(2-methylpropanoyl) C23H30O5 386.209324 NA MeJP NA NA +MJ051877 Euglobal G1 C23H30O5 386.209324 NA MeJP NA NA +MJ051878 Euglobal G2 C23H30O5 386.209324 NA MeJP NA NA +MJ051879 Euglobal G3 C23H30O5 386.209324 NA MeJP NA NA +MJ051880 Euglobal G4 C23H30O5 386.209324 NA MeJP NA NA +MJ051881 Euglobal G5 C23H30O5 386.209324 NA MeJP NA NA +MJ051882 Euglobal G8 C23H30O5 386.209324 NA MeJP NA NA +MJ051883 Euglobal G9 C23H30O5 386.209324 NA MeJP NA NA +MJ051884 Euglobal IIb C23H30O5 386.209324 NA MeJP NA NA +MJ051885 Euglobal IIc C23H30O5 386.209324 NA MeJP NA NA +MJ051886 Euglobal Ia1 C23H30O5 386.209324 NA MeJP NA NA +MJ051887 Euglobal Ib C23H30O5 386.209324 NA MeJP NA NA +MJ051888 Euglobal Ic C23H30O5 386.209324 NA MeJP NA NA +MJ051889 Euglobal T1 C23H30O5 386.209324 NA MeJP NA NA +MJ051890 Ferruol A C23H30O5 386.209324 NA MeJP NA NA +MJ051891 Furanoeremophil-1(10)-ene-3,6-diol, 6-(3-Methyl-2-pentenoyl), 3-Ac C23H30O5 386.209324 NA MeJP NA NA +MJ051892 Furanoeremophilane-3,6-diol, Bis(2-methylpropenoyl) C23H30O5 386.209324 NA MeJP NA NA +MJ051893 Ginamallene C23H30O5 386.209324 NA MeJP NA NA +MJ051894 Memnoconol; 11'-Deoxy, 10'-ketone C23H30O5 386.209324 NA MeJP NA NA +MJ051895 Robustadial A C23H30O5 386.209324 NA MeJP NA NA +MJ051896 Stachybotrolide C23H30O5 386.209324 NA MeJP NA NA +MJ051897 Stachybotrydial C23H30O5 386.209324 NA MeJP NA NA +MJ051898 ?-Nimolactone C23H30O5 386.209324 NA MeJP NA NA +EUR508 Arachidonic acid F3 F3 386.213125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR508 Acide Arachidonique F3 NA 386.213125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR508 Arachidonic acid F3 F3 386.213125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR508 Acide Arachidonique F3 NA 386.213125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR508 Arachidonic acid F3 F3 386.213125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR508 Acide Arachidonique F3 NA 386.213125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR508 Arachidonic acid F3 F3 386.213125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR508 Arachidonic acid F3 F3 386.213125 standards wishlist analysés sur QTOF HMDB NA NA +EUR508 Arachidonic acid F3 F3 386.213125 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR508 Acide Arachidonique F3 NA 386.213125 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR508 Arachidonic acid F3 F3 386.213125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR508 Arachidonic acid F3 F3 386.213125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ000759 GPTL C17H30N4O6 386.2166 NA PeJP NA NA +MJ051899 Anomaline C22H30N2O4 386.220557 NA MeJP NA NA +MJ051900 Aspidolimidinol C22H30N2O4 386.220557 NA MeJP NA NA +MJ051901 Limapodine; 11-Methoxy C22H30N2O4 386.220557 NA MeJP NA NA +MJ051902 Reserpenediol C22H30N2O4 386.220557 NA MeJP NA NA +MJ051903 Dalvastatin C24H31FO3 386.225723 NA MeJP NA NA +MJ051904 15-Isopimarene-1,3,6,8,11,12,19-heptol C20H34O7 386.230453 NA MeJP NA NA +MJ051905 2,3,5,6,10,14,16-Grayanotoxaneheptol C20H34O7 386.230453 NA MeJP NA NA +C11990 Oleandolide C20H34O7 386.2305 NA KEGG NA NA +MJ051906 2a-[4-(3,6-Dihydro-4-phenyl-1(2H)-pyridinyl)butyl]-2a,3,4,5-tetrahydrobenz[cd]indol-2(1H)-one C26H30N2O 386.235813 NA MeJP NA NA +MJ051907 3-Hydroxy-3-(trifluoromethyl)pregnan-20-one C22H33F3O2 386.243264 NA MeJP NA NA +HMDB00385 12a-Hydroxy-3-oxocholadienic acid C24H34O4 386.245697 NA HMDB2010 NA NA +HMDB00385 12a-Hydroxy-3-oxocholadienic acid C24H34O4 386.2457 http://www.hmdb.ca/metabolites/HMDB00385 HMDB NA NA +C08150 Medroxyprogesterone acetate C24H34O4 386.2457 NA KEGG NA NA +C15569 12alpha-Hydroxy-3-oxochola-4,6-dienoate C24H34O4 386.2457 NA KEGG NA NA +C16922 Bufalin C24H34O4 386.2457 NA KEGG NA NA +HMDB00385 12a-Hydroxy-3-oxocholadienic acid C24H34O4 386.2457 HMDB00385 PFEM_hmdb_metabocards_official NA NA +MJ051908 15-Hydroxy-16-kauren-19-oic acid, 2-Methylpropenoyl C24H34O4 386.245709 NA MeJP NA NA +MJ051909 16,17-Dihydroxypregn-4-ene-3,20-dione, 16,17-Acetonide C24H34O4 386.245709 NA MeJP NA NA +MJ051910 2-(3,7-Dimethyl-2,6-octadienyl)-6-(3-methyl-2-butenyl)-1,3,5-benzenetriol, 5-Me ether, 1-Ac C24H34O4 386.245709 NA MeJP NA NA +MJ051911 3,14-Dihydroxybufa-20,22-dienolide C24H34O4 386.245709 NA MeJP NA NA +MJ051912 3,4,6-Eudesmanetriol, 6-Cinnamoyl C24H34O4 386.245709 NA MeJP NA NA +MJ051913 3-Hydroxy-9(11),15-kauradien-19-oic acid, 2-Methylpropanoyl C24H34O4 386.245709 NA MeJP NA NA +MJ051914 4,6-Eudesmanediol, 6-(4-Hydroxycinnamoyl) C24H34O4 386.245709 NA MeJP NA NA +MJ051915 6,19-Epoxy-3,6,8(19),11,15(17)-cembrapentaene-16,20-diol, 16-Butanoyl C24H34O4 386.245709 NA MeJP NA NA +MJ051916 6,19-Epoxy-3,6,8(19),11,15(17)-cembrapentaene-16,20-diol, 20-Butanoyl C24H34O4 386.245709 NA MeJP NA NA +MJ051917 6,8-Kempadiene-3,14-diol, Di-Ac C24H34O4 386.245709 NA MeJP NA NA +MJ051918 8(13),10-Cycloamphilectadiene-2,14-diol, Di-Ac C24H34O4 386.245709 NA MeJP NA NA +MJ051919 8,11,13-Abietatriene-2,12-diol; 2?-form, Di-Ac C24H34O4 386.245709 NA MeJP NA NA +MJ051920 Atranone D C24H34O4 386.245709 NA MeJP NA NA +MJ051921 Grifolic acid; 4-Me ether C24H34O4 386.245709 NA MeJP NA NA +MJ051922 Hexanorcucurbitacin F; 2-Epimer, 16-deoxy, 16,17-didehydro C24H34O4 386.245709 NA MeJP NA NA +MJ051923 Plakinic acid B C24H34O4 386.245709 NA MeJP NA NA +MJ051924 Plakinic acid D C24H34O4 386.245709 NA MeJP NA NA +MJ051925 Polycerasoidol; Me ether, Me ester C24H34O4 386.245709 NA MeJP NA NA +MJ051926 Polyfibrospongol A C24H34O4 386.245709 NA MeJP NA NA +MJ051927 Proligestone C24H34O4 386.245709 NA MeJP NA NA +PJ000760 AALL C18H34N4O5 386.2529 NA PeJP NA NA +MJ051928 Circinamide C18H34N4O5 386.25292 NA MeJP NA NA +3528 ACE inhibitor LVR 386.253 ACE inhibitor Inhouse_peptide NA peptide +PJ000761 VLR C17H34N6O4 386.2642 NA PeJP NA NA +C03240 6-Deoxyerythronolide B C21H38O6 386.2668 NA KEGG NA NA +MJ051929 6-Deoxyerythronolide B C21H38O6 386.266838 NA MeJP NA NA +MJ051930 1,2,3-Heptadecanetricarboxylic acid; 1'-Me ester C21H38O6 386.266838 NA MeJP NA NA +MJ051931 1,2,3-Heptadecanetricarboxylic acid; 2'-Me ester C21H38O6 386.266838 NA MeJP NA NA +MJ051932 6-Nonyl-2-cyclohexen-1-ol, O-?-D-Glucopyranoside C21H38O6 386.266838 NA MeJP NA NA +MJ051933 Dolabriferol C21H38O6 386.266838 NA MeJP NA NA +MJ051934 Erythronolide A; 6,12-Dideoxy C21H38O6 386.266838 NA MeJP NA NA +MetaCyc03316 6-deoxyerythronolide b [] C21H38O6 386.266839 NA metacyc NA NA +MJ051935 Lobinaline C27H34N2 386.272199 NA MeJP NA NA +MJ051936 N-(3,3-Diphenylpropyl)-N'-(1-methyl-2-phenylethyl)-1,3-propanediamine C27H34N2 386.272199 NA MeJP NA NA +MJ051937 12-Hydroxy-16-scalaren-24,25-olide; 12?-form C25H38O3 386.282095 NA MeJP NA NA +MJ051938 12-Hydroxy-16-scalarene-24,25-dial C25H38O3 386.282095 NA MeJP NA NA +MJ051939 12-Hydroxy-17-scalaren-25,24-olide; 12?-form C25H38O3 386.282095 NA MeJP NA NA +MJ051940 15-Beyerene-14,19-diol, 14-Tigloyl C25H38O3 386.282095 NA MeJP NA NA +MJ051941 16-Kauren-19-ol; ent-form, 16?,17-Epoxide, 19-angeloyl C25H38O3 386.282095 NA MeJP NA NA +MJ051942 16-Kauren-3-ol, 16?,17-Epoxide, 3-angeloyl C25H38O3 386.282095 NA MeJP NA NA +MJ051943 16-Kaurene-3,15-diol, 15-Angeloyl C25H38O3 386.282095 NA MeJP NA NA +MJ051944 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-(4-Methylpentanoyl) C25H38O3 386.282095 NA MeJP NA NA +MJ051945 24,25-Epoxy-16-scalarene-12,25-diol, 12-Ketone C25H38O3 386.282095 NA MeJP NA NA +MJ051946 24,25-Epoxy-17(24),18(25)-scalaradiene-12,16-diol C25H38O3 386.282095 NA MeJP NA NA +MJ051947 3(20),7,18-Ophiobolatrien-24-ol, 24-Carboxylic acid, 7?,8?-epoxide C25H38O3 386.282095 NA MeJP NA NA +MJ051948 3-Hydroxy-4,4,14-trimethylpregna-7,9(11)-diene-20-carboxylic acid C25H38O3 386.282095 NA MeJP NA NA +MJ051949 4,4,14,20-Tetramethylpregn-8-ene-3,22-diol, 3-Ketone, 22-carboxylic acid C25H38O3 386.282095 NA MeJP NA NA +MJ051950 4-Oxo-19-phenyl-5-nonadecenoic acid C25H38O3 386.282095 NA MeJP NA NA +MJ051951 8-Hydroxy-3(20),7(21),18-ophiobolatrien-24-oic acid; 8?-form C25H38O3 386.282095 NA MeJP NA NA +MJ051952 Alborosin C25H38O3 386.282095 NA MeJP NA NA +MJ051953 Dexanabinol C25H38O3 386.282095 NA MeJP NA NA +MJ051954 Furoscalarol; O-De-Ac C25H38O3 386.282095 NA MeJP NA NA +MJ051955 Hamiltonin E C25H38O3 386.282095 NA MeJP NA NA +MJ051956 Hyrtiosal C25H38O3 386.282095 NA MeJP NA NA +MJ051957 Idiadione C25H38O3 386.282095 NA MeJP NA NA +MJ051958 Luffariellolide C25H38O3 386.282095 NA MeJP NA NA +MJ051959 Ophiobolin C C25H38O3 386.282095 NA MeJP NA NA +MJ051960 Ophiobolin H C25H38O3 386.282095 NA MeJP NA NA +MJ051961 Palauolide C25H38O3 386.282095 NA MeJP NA NA +MJ051962 Viminadione A C25H38O3 386.282095 NA MeJP NA NA +C14663 Testosterone isocaproate C25H38O3 386.2821 NA KEGG NA NA +MJ051963 Laurolinium(1+); Acetate C24H38N2O2 386.293328 NA MeJP NA NA +MJ051964 Pregn-5-ene-3,20-diamine, N3-Ac, N20-formyl C24H38N2O2 386.293328 NA MeJP NA NA +MJ051965 Bourgeanic acid C22H42O5 386.303224 NA MeJP NA NA +MJ051966 1-Phenyl-1,3-eicosanedione C26H42O2 386.31848 NA MeJP NA NA +MJ051967 12-Hydroxy-20,24-dimethyl-25-nor-16-scalaren-24-one; 12?-form C26H42O2 386.31848 NA MeJP NA NA +MJ051968 17-Hydroxy-17-methylandrost-4-en-3-one, 3-Hexyl ether C26H42O2 386.31848 NA MeJP NA NA +MJ051969 24-Norcholesta-7,22-diene-3,6-diol C26H42O2 386.31848 NA MeJP NA NA +C10797 Cyclobuxine D C25H42N2O 386.3297 NA KEGG NA NA +MJ051970 Cyclobuxargentine G C25H42N2O 386.329713 NA MeJP NA NA +MJ051971 Cyclobuxine I; N3,N20-Di-Me C25H42N2O 386.329713 NA MeJP NA NA +MJ051972 Pregn-5-ene-3,20-diamine, N20,N20-Di-Me, N3-Ac C25H42N2O 386.329713 NA MeJP NA NA +MJ051973 Pregna-14,16-diene-3,20-diamine, 14,15-Dihydro, N3,N3,N20-tri-Me, N20-formyl C25H42N2O 386.329713 NA MeJP NA NA +HMDB11147 DG(18:0e/2:0/0:0) C23H46O4 386.3396 NA HMDB2010 NA NA +HMDB11542 MG(0:0/20:0/0:0) C23H46O4 386.3396 NA HMDB2010 NA NA +HMDB11572 MG(20:0/0:0/0:0) C23H46O4 386.3396 NA HMDB2010 NA NA +MJ051974 Antibiotic AKD 2; Antibiotic AKD 2C C23H46O4 386.339609 NA MeJP NA NA +HMDB00067 Cholesterol C27H46O 386.354858 NA HMDB2010 NA NA +HMDB00871 5alpha-Cholestanone C27H46O 386.354858 NA HMDB2010 NA NA +HMDB01170 Lathosterol C27H46O 386.354858 NA HMDB2010 NA NA +HMDB06841 5a-Cholest-8-en-3b-ol C27H46O 386.354858 NA HMDB2010 NA NA +HMDB11182 5beta-Cholestanone C27H46O 386.354858 NA HMDB2010 NA NA +HMDB00067 Cholesterol C27H46O 386.35486 http://www.hmdb.ca/metabolites/HMDB00067 PFEM_hmdb_metabocards_urine NA urine +HMDB00067 Cholesterol C27H46O 386.35486 http://www.hmdb.ca/metabolites/HMDB00067 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01170 Lathosterol C27H46O 386.35486 http://www.hmdb.ca/metabolites/HMDB01170 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00067 Cholesterol C27H46O 386.35486 http://www.hmdb.ca/metabolites/HMDB00067 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00067 Cholesterol C27H46O 386.35486 http://www.hmdb.ca/metabolites/HMDB00067 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00067 Cholesterol C27H46O 386.35486 http://www.hmdb.ca/metabolites/HMDB00067 HMDB NA NA +HMDB00871 Coprostanone C27H46O 386.35486 http://www.hmdb.ca/metabolites/HMDB00871 HMDB NA NA +HMDB01170 Lathosterol C27H46O 386.35486 http://www.hmdb.ca/metabolites/HMDB01170 HMDB NA NA +HMDB06541 Zymostenol C27H46O 386.35486 http://www.hmdb.ca/metabolites/HMDB06541 HMDB NA NA +HMDB06841 5alpha-Cholest-8-en-3beta-ol C27H46O 386.35486 http://www.hmdb.ca/metabolites/HMDB06841 HMDB NA NA +HMDB00067 Cholesterol C27H46O 386.35486 http://www.hmdb.ca/metabolites/HMDB00067 PFEM_hmdb_metabocards_blood NA blood +HMDB01170 Lathosterol C27H46O 386.35486 http://www.hmdb.ca/metabolites/HMDB01170 PFEM_hmdb_metabocards_blood NA blood +HMDB00067 Cholesterol C27H46O 386.35486 HMDB00067 PFEM_hmdb_metabocards_official NA NA +HMDB00871 Coprostanone C27H46O 386.35486 HMDB00871 PFEM_hmdb_metabocards_official NA NA +HMDB01170 Lathosterol C27H46O 386.35486 HMDB01170 PFEM_hmdb_metabocards_official NA NA +HMDB06541 Zymostenol C27H46O 386.35486 HMDB06541 PFEM_hmdb_metabocards_official NA NA +HMDB06841 5alpha-Cholest-8-en-3beta-ol C27H46O 386.35486 HMDB06841 PFEM_hmdb_metabocards_official NA NA +EUR101 Cholesterol C27H46O 386.354865 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR101 Cholesterol C27H46O 386.354865 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR101 Cholesterol C27H46O 386.354865 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR101 Cholesterol C27H46O 386.354865 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR101 Cholesterol C27H46O 386.354865 Wishlist HMDB NA NA +EUR101 Cholesterol C27H46O 386.354865 Wishlist Inhouse_PFEM NA NA +EUR101 Cholesterol C27H46O 386.354865 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR101 Cholesterol C27H46O 386.354865 Wishlist PFEM_hmdb_metabocards_official NA NA +MJ051975 19-Norergost-22-en-3-ol C27H46O 386.354866 NA MeJP NA NA +MJ051976 19-Norergost-5-en-3-ol C27H46O 386.354866 NA MeJP NA NA +MJ051977 22,29,30-Trinor-21-hopanol; 21?-form C27H46O 386.354866 NA MeJP NA NA +MJ051978 27-Norergost-22-en-3-ol C27H46O 386.354866 NA MeJP NA NA +MJ051979 3-Hydroxymethyl-A-norcholest-22-ene C27H46O 386.354866 NA MeJP NA NA +MJ051980 3-Hydroxymethyl-A-norcholestane, 22,23-Didehydro C27H46O 386.354866 NA MeJP NA NA +MJ051981 A,27-Dinorergost-22-ene-3-methanol C27H46O 386.354866 NA MeJP NA NA +MJ051982 Cholest-15-en-3-ol C27H46O 386.354866 NA MeJP NA NA +MJ051983 Cholest-22-en-3-ol C27H46O 386.354866 NA MeJP NA NA +MJ051984 Cholest-5-en-3-ol C27H46O 386.354866 NA MeJP NA NA +MJ051985 Cholest-7-en-3-ol C27H46O 386.354866 NA MeJP NA NA +MJ051986 Cholest-8(14)-en-3-ol C27H46O 386.354866 NA MeJP NA NA +MJ051987 Cholestan-3-one C27H46O 386.354866 NA MeJP NA NA +MJ051988 Pterocarpol A C27H46O 386.354866 NA MeJP NA NA +MJ051989 Pterocarpol B C27H46O 386.354866 NA MeJP NA NA +MJ051990 5,6beta-Epoxy-5beta-cholestane C27H46O 386.354866 NA MeJP NA NA +MJ051991 5alpha-Cholest-8-en-3beta-ol C27H46O 386.354866 NA MeJP NA NA +MJ051992 Cholesterol C27H46O 386.354866 NA MeJP NA NA +MetaCyc03317 cholesterol [] C27H46O1 386.354866 57-88-5 metacyc NA NA +MetaCyc03318 5β-cholestan-3-one [beta-cholestan-3-one;coprostan-3-one;] C27H46O1 386.354866 601-53-6 metacyc NA NA +MetaCyc03319 5α-cholestan-3-one [] C27H46O1 386.354866 566-88-1 metacyc NA NA +MetaCyc03320 lathosterol [5α-Cholest-8-en-3β-ol;lathosterol;5α-cholest-7-en-3β-ol;α-cholest-7-en-3β-ol;cholesta-7-enol;Δ7-cholesten-3-β-ol;γ-cholesterol;] C27H46O1 386.354866 80-99-9 metacyc NA NA +EUR101 Cholesterol C27H46O 386.3549 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR101 Cholesterol C27H46O 386.3549 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR101 Cholesterol C27H46O 386.3549 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR101 Cholesterol C27H46O 386.3549 Wishlist Inhousejuil11 NA NA +C00187 Cholesterol C27H46O 386.3549 NA KEGG NA NA +C01189 5alpha-Cholest-7-en-3beta-ol C27H46O 386.3549 NA KEGG NA NA +C01190 Glucosylceramide C25H46NO8R 386.3549 NA KEGG NA NA +C01191 Dolichyl D-xylosyl phosphate C25H45O8P 386.3549 NA KEGG NA NA +C03091 5beta-Cholestan-3-one C27H46O 386.3549 NA KEGG NA NA +C03238 5alpha-Cholestan-3-one C27H46O 386.3549 NA KEGG NA NA +C03845 5alpha-Cholest-8-en-3beta-ol C27H46O 386.3549 NA KEGG NA NA +C05417 5,6beta-Epoxy-5beta-cholestane C27H46O 386.3549 NA KEGG NA NA +C05423 5,6alpha-Epoxy-5alpha-cholestane C27H46O 386.3549 NA KEGG NA NA +C15337 3beta-Hydroxycholest-4-ene C27H46O 386.3549 NA KEGG NA NA +MJ051993 Cycloprotobuxine I; N20,N20-Di-Me C26H46N2 386.366099 NA MeJP NA NA +MJ051994 Cycloprotobuxine I; N3,N20-Di-Me C26H46N2 386.366099 NA MeJP NA NA +MJ051995 Ergostane C28H50 386.391251 NA MeJP NA NA +3716 NA YPFGFSG 386.6625 MH2+ Inhouse_peptide NA peptide +3565 NA SQPQAFP 386.6785 MH2+ Inhouse_peptide NA peptide +19 Troponin C KMLGQTP 386.7 MH2+ Inhouse_peptide NA peptide +MJ051996 4-Bromophakellin, 5-Bromo C11H11Br2N5O 386.933035 NA MeJP NA NA +MJ051997 Cyclooroidin C11H11Br2N5O 386.933035 NA MeJP NA NA +MJ051998 Dibromoisophakellin C11H11Br2N5O 386.933035 NA MeJP NA NA +MJ051999 Hymenin C11H11Br2N5O 386.933035 NA MeJP NA NA +MJ052000 Oroidin C11H11Br2N5O 386.933035 NA MeJP NA NA +C12675 Benzylhydrochlorothiazide C14H14ClN3O4S2 387.0114 NA KEGG NA NA +C12676 Transferred to D01247 C14H14ClN3O4S2 387.0114 NA KEGG NA NA +MJ052001 Benzylhydrochlorothiazide C14H14ClN3O4S2 387.011425 NA MeJP NA NA +HMDB01245 dCDP C9H15N3O10P2 387.023254 NA HMDB2010 NA NA +MJ052002 dCDP C9H15N3O10P2 387.023266 NA MeJP NA NA +MetaCyc03321 dCDP [2'-deoxycytidine diphosphate;2'-deoxycytidine-5'-diphosphate;deoxycytidine-diphosphate;] C9H15N3O10P2 387.023267 800-73-7 metacyc NA NA +HMDB01245 dCDP C9H15N3O10P2 387.02328 http://www.hmdb.ca/metabolites/HMDB01245 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01245 dCDP C9H15N3O10P2 387.02328 http://www.hmdb.ca/metabolites/HMDB01245 HMDB NA NA +HMDB01245 dCDP C9H15N3O10P2 387.02328 http://www.hmdb.ca/metabolites/HMDB01245 PFEM_hmdb_metabocards_blood NA blood +HMDB01245 dCDP C9H15N3O10P2 387.02328 HMDB01245 PFEM_hmdb_metabocards_official NA NA +C00705 dCDP C9H15N3O10P2 387.0233 NA KEGG NA NA +C00706 Amine NH2R 387.0233 NA KEGG NA NA +C00707 Xylan NH2R 387.0233 NA KEGG NA NA +C10957 Thifensulfuron methyl C12H13N5O6S2 387.0307 NA KEGG NA NA +MJ052003 S-Sulfoglutathione C10H17N3O9S2 387.04062 NA MeJP NA NA +MJ052004 Naroparcil C19H17NO4S2 387.059899 NA MeJP NA NA +MJ052005 1-Pentenyl glucosinolate C12H21NO9S2 387.065772 NA MeJP NA NA +MJ052006 3-Methyl-3-butenyl glucosinolate C12H21NO9S2 387.065772 NA MeJP NA NA +MJ052007 4-Pentenyl glucosinolate C12H21NO9S2 387.065772 NA MeJP NA NA +C08403 Glucobrassicanapin C12H21NO9S2 387.0658 NA KEGG NA NA +MJ052008 Nantenine, 3-Chloro, N-de-Me, N-formyl C20H18ClNO5 387.08735 NA MeJP NA NA +PJ000762 CCY C15H21N3O5S2 387.0923 NA PeJP NA NA +MJ052009 Isophomazarin C19H17NO8 387.095416 NA MeJP NA NA +MJ052010 Phomazarine C19H17NO8 387.095416 NA MeJP NA NA +MJ052011 7-Methoxydeacetoxycephalosporin C C15H21N3O7S 387.11002 NA MeJP NA NA +C08053 Lomefloxacin hydrochloride C17H19F2N3O3 387.1161 NA KEGG NA NA +MJ052012 2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one, 8-Methoxy, 7-Me ether, 2-O-?-D-glucopyranoside C16H21NO10 387.116545 NA MeJP NA NA +MJ052013 2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one, N-Methoxy, 7-Me ether. 2-O-?-D-glucopyranoside C16H21NO10 387.116545 NA MeJP NA NA +MetaCyc03322 HMDBOA-Glc [HMDBOA-glucoside;2-(2-hydroxy-7-methoxy-1,4-benzoxazin-3-one)-β-D-glucopyranose;] C16H21N1O10 387.116546 NA metacyc NA NA +MetaCyc03323 fructoselysine-6-phosphate [fructoselysine-6-P;] C12H24N2O10P1 387.116857 NA metacyc NA NA +PJ000763 CEH C14H21N5O6S 387.1213 NA PeJP NA NA +MJ052014 Camptoneurine C22H17N3O4 387.121906 NA MeJP NA NA +MJ052015 Citracridone III; 1',2'-Dihydro, 1',2'-dihydroxy (trans-), 5-Me ether C20H21NO7 387.131802 NA MeJP NA NA +MJ052016 Macronine, N-De-Me, N-ethoxycarbonyl C20H21NO7 387.131802 NA MeJP NA NA +MJ052017 Senaetnine; 13,19-Didehydro C20H21NO7 387.131802 NA MeJP NA NA +MJ052018 Senaetnine; 7-Epimer, 13,19-didehydro C20H21NO7 387.131802 NA MeJP NA NA +MJ052019 Revospirone C18H21N5O3S 387.13651 NA MeJP NA NA +MJ052020 2,2,4,4,6,6-Hexakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-1,3,5-triaza-2,4,6-triphosphorine C12H24N9P3 387.136751 NA MeJP NA NA +MJ052021 Falnidamol C18H19ClFN7 387.137449 NA MeJP NA NA +MJ052022 Cloroperone C22H23ClFNO2 387.140134 NA MeJP NA NA +MJ052023 Jaconine C18H26ClNO6 387.144865 NA MeJP NA NA +MJ052024 Sceleratine; 18-Deoxy, 18-chloro C18H26ClNO6 387.144865 NA MeJP NA NA +MJ052025 Flurazepam C21H23ClFN3O 387.151368 NA MeJP NA NA +MetaCyc03324 benzyladenine-9-N-glucoside [] C18H21N5O5 387.154269 NA metacyc NA NA +MetaCyc03325 benzyladenine-7-N-glucoside [] C18H21N5O5 387.154269 NA metacyc NA NA +PJ000764 TMH C15H25N5O5S 387.1577 NA PeJP NA NA +MJ052026 Cystodytins; Cystodytin A, 1'-Methoxy C23H21N3O3 387.158291 NA MeJP NA NA +MJ052027 Cystodytins; Cystodytin B, 1'-Methoxy C23H21N3O3 387.158291 NA MeJP NA NA +MJ052028 Capaurine, N-Oxide C21H25NO6 387.168187 NA MeJP NA NA +MJ052029 Colchibiphenyline, O3-Me C21H25NO6 387.168187 NA MeJP NA NA +MJ052030 Collutine; N-Oxide C21H25NO6 387.168187 NA MeJP NA NA +MJ052031 Floramultine, N-Oxide C21H25NO6 387.168187 NA MeJP NA NA +MJ052032 Hasubanonine, 16-Oxo C21H25NO6 387.168187 NA MeJP NA NA +MJ052033 Narcotinediol; ?-Deoxy, O8-de-Me C21H25NO6 387.168187 NA MeJP NA NA +MJ052034 Saxoguattine C21H25NO6 387.168187 NA MeJP NA NA +MJ052035 Thalicsimidine, O1,N-Di-de-Me, N-Oxide C21H25NO6 387.168187 NA MeJP NA NA +MJ052036 3-Methoxy-2,6-dimethyl-4-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methoxy]pyridine C22H21N5O2 387.169524 NA MeJP NA NA +MJ052037 6-Chloro-9-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methoxyacridine C21H26ClN3O2 387.171354 NA MeJP NA NA +MJ052038 Nemonapride C21H26ClN3O2 387.171354 NA MeJP NA NA +C12915 Nemonapride C21H26ClN3O2 387.1714 NA KEGG NA NA +C12916 Transferred to D01469 C21H26ClN3O2 387.1714 NA KEGG NA NA +C12917 Transferred to D01470 C21H26ClN3O2 387.1714 NA KEGG NA NA +PJ000765 GSPQ C15H25N5O7 387.1754 NA PeJP NA NA +MJ052039 Bioxalomycin ?1 C20H25N3O5 387.17942 NA MeJP NA NA +MJ052040 Indolactam V, O-Malonyl C20H25N3O5 387.17942 NA MeJP NA NA +MJ052041 Dioncophylline A; 1,2,3,4-Tetradehydro, Me ether C25H25NO3 387.183443 NA MeJP NA NA +MJ052042 Terazosin C19H25N5O4 387.190654 NA MeJP NA NA +C07127 Terazosin C19H25N5O4 387.1907 NA KEGG NA NA +MJ052043 Panuramine C24H25N3O2 387.194677 NA MeJP NA NA +3714 ACE inhibitor LQQ 387.2 ACE inhibitor Inhouse_peptide NA peptide +MJ052044 Hetisan-2,11,13,14-tetrol, 2-Ac C22H29NO5 387.204573 NA MeJP NA NA +MJ052045 Hetisan-2,11,13,14-tetrol, Ac C22H29NO5 387.204573 NA MeJP NA NA +MJ052046 Septentriosine; O2-Ac C22H29NO5 387.204573 NA MeJP NA NA +MJ052047 Stemofoline C22H29NO5 387.204573 NA MeJP NA NA +MJ052048 Szovitsidine C22H29NO5 387.204573 NA MeJP NA NA +MJ052049 Trimebutine C22H29NO5 387.204573 NA MeJP NA NA +MJ052050 Tuberostemoenone C22H29NO5 387.204573 NA MeJP NA NA +MJ052051 Vakhmatine; O13-Ac C22H29NO5 387.204573 NA MeJP NA NA +PJ000766 GSPK C16H29N5O6 387.2118 NA PeJP NA NA +C05011 Hydroxytamoxifen C26H29NO2 387.2198 NA KEGG NA NA +C14296 Droloxifene C26H29NO2 387.2198 NA KEGG NA NA +C16544 alpha-Hydroxytamoxifen C26H29NO2 387.2198 NA KEGG NA NA +C16545 Tamoxifen N-oxide C26H29NO2 387.2198 NA KEGG NA NA +MJ052052 Droloxifene C26H29NO2 387.219829 NA MeJP NA NA +PJ000767 VNR C15H29N7O5 387.223 NA PeJP NA NA +MJ052053 Buquineran C20H29N5O3 387.227039 NA MeJP NA NA +MJ052054 Urapidil C20H29N5O3 387.227039 NA MeJP NA NA +MJ052055 Nufenoxole C25H29N3O 387.231062 NA MeJP NA NA +PJ000768 GRR C14H29N9O4 387.2343 NA PeJP NA NA +MJ052056 Yuzurimine; 20-Deacetoxy, O-de-Ac C23H33NO4 387.240958 NA MeJP NA NA +MJ052057 Yuzurine; 13S-Hydroxy, 9,22-didehydro,O-de-Me C23H33NO4 387.240958 NA MeJP NA NA +PJ000769 LQK C17H33N5O5 387.2482 NA PeJP NA NA +7862 peptide from prawn muscle (Penaeus japonicus) IKK 387.272 ACE inhibitor Inhouse_peptide NA peptide +C12160 Myxalamid C C24H37NO3 387.2773 NA KEGG NA NA +MJ052058 Bishatisine C24H37NO3 387.277344 NA MeJP NA NA +MJ052059 Dictysine; 16,17-O-Isopropylidene C24H37NO3 387.277344 NA MeJP NA NA +MJ052060 Myxalamides; Myxalamide C C24H37NO3 387.277344 NA MeJP NA NA +PJ000770 LKK C18H37N5O4 387.2846 NA PeJP NA NA +MJ052061 Gusperimus C17H37N7O3 387.295788 NA MeJP NA NA +MJ052062 Tresperimus C17H37N7O3 387.295788 NA MeJP NA NA +HMDB13166 2-Hydroxymyristoylcarnitine C21H41NO5 387.298462 NA HMDB2010 NA NA +MJ052063 Myriocin; 6,7-Dihydro, 4-deoxy C21H41NO5 387.298473 NA MeJP NA NA +MJ052064 Buxus Alkaloid B387 C25H41NO2 387.313729 NA MeJP NA NA +MJ052065 Cyclorolfeine C25H41NO2 387.313729 NA MeJP NA NA +MJ052066 3-(12-Heneicosenyl)-1H-pyrrole-2-carboxaldehyde C26H45NO 387.350115 NA MeJP NA NA +MJ052067 5-(6-Heneicosenyl)-1H-pyrrole-2-carboxaldehyde C26H45NO 387.350115 NA MeJP NA NA +MetaCyc03326 25-azacholesterol [24-(dimethylamino)chol-5-en-3β-ol;chol-5-en-3-ol, 24-(dimethylamino)-, (3β)-;] C26H45N1O1 387.350115 NA metacyc NA NA +HMDB01028 25-Azacholesterol C26H45NO 387.350128 NA HMDB2010 NA NA +HMDB01028 25-Azacholesterol C26H45NO 387.35013 http://www.hmdb.ca/metabolites/HMDB01028 HMDB NA NA +HMDB01028 25-Azacholesterol C26H45NO 387.35013 HMDB01028 PFEM_hmdb_metabocards_official NA NA +3574 NA YPFGFF~ 387.678 MH2+ Inhouse_peptide NA peptide +3816 ileum contracting peptide MYPLPR 387.6962 MH2+ Inhouse_peptide NA peptide +2935 myelopeptide LVVYPW 387.707 MH2+ Inhouse_peptide NA peptide +MJ052068 2,3,6-Tribromo-4,5-dihydroxybenzyl alcohol; 1'-Me ether C8H7Br3O3 387.794532 NA MeJP NA NA +C18100 1,2,3,4,7,8-Hexachlorodibenzodioxin C12H2Cl6O2 387.8186 NA KEGG NA NA +C18101 1,2,3,6,7,8-Hexachlorodibenzodioxin C12H2Cl6O2 387.8186 NA KEGG NA NA +C18102 1,2,3,7,8,9-Hexachlorodibenzodioxin C12H2Cl6O2 387.8186 NA KEGG NA NA +MJ052069 Dibromophakellstatin C11H10Br2N4O2 387.91705 NA MeJP NA NA +MJ052070 Bis(benzyltrithio)methane C15H16S6 387.957624 NA MeJP NA NA +MJ052071 4-Hydroxy-3-nitrosobenzoic acid; Fe complex (2:1) C14H8FeN2O8 387.963007 NA MeJP NA NA +MJ052072 2,4,5-Trichloro-1,3,6-trihydroxy-8-methylxanthone; 3,6-Di-Me ether C16H11Cl3O5 387.967206 NA MeJP NA NA +MJ052073 Diploicin; 4-Dechloro C16H11Cl3O5 387.967206 NA MeJP NA NA +MJ052074 Diploicin; 7-Dechloro C16H11Cl3O5 387.967206 NA MeJP NA NA +MJ052075 Diploicin; 9-Dechloro C16H11Cl3O5 387.967206 NA MeJP NA NA +MJ052076 2-(4-Bromo-1,3-hexadienyl)-5-(3-bromo-1,2-propadienyl)hexahydrofuro[3,2-b]furan C15H18Br2O2 387.967355 NA MeJP NA NA +MJ052077 Japonenyne A C15H18Br2O2 387.967355 NA MeJP NA NA +MJ052078 Laurenenyne A C15H18Br2O2 387.967355 NA MeJP NA NA +MJ052079 Didemnoline A; S-Oxide C16H13BrN4OS 387.999344 NA MeJP NA NA +MJ052080 3-Benzyl-6-hydroxymethyl-1,4-dimethyl-3,6-epitetrathia-2,5-piperazinedione C14H16N2O3S4 388.004375 NA MeJP NA NA +MJ052081 Fenfluthrin C15H11Cl2F5O2 388.005626 NA MeJP NA NA +MJ052082 dUDP C9H14N2O11P2 388.007282 NA MeJP NA NA +MetaCyc03327 dUDP [2'-deoxyuridine-5'-diphosphate;deoxyuridine-diphosphate;] C9H14N2O11P2 388.007282 NA metacyc NA NA +HMDB01000 dUDP C9H14N2O11P2 388.00729 http://www.hmdb.ca/metabolites/HMDB01000 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01000 dUDP C9H14N2O11P2 388.00729 http://www.hmdb.ca/metabolites/HMDB01000 HMDB NA NA +HMDB01000 dUDP C9H14N2O11P2 388.00729 http://www.hmdb.ca/metabolites/HMDB01000 PFEM_hmdb_metabocards_blood NA blood +HMDB01000 dUDP C9H14N2O11P2 388.00729 HMDB01000 PFEM_hmdb_metabocards_official NA NA +HMDB01000 dUDP C9H14N2O11P2 388.007294 NA HMDB2010 NA NA +C01346 dUDP C9H14N2O11P2 388.0073 NA KEGG NA NA +MJ052083 Dysamide A; 3',3''-Didechloro, 1',3-didehydro(E-) C14H20Cl4N2O2 388.027888 NA MeJP NA NA +MJ052084 Dysamide A; 3',3''-Didechloro, 1',3-didehydro(Z-) C14H20Cl4N2O2 388.027888 NA MeJP NA NA +MJ052085 Dicresulene C15H16O8S2 388.028658 NA MeJP NA NA +HMDB06813 1-Phosphatidyl-D-myo-inositol C11H17O13P 388.04068 http://www.hmdb.ca/metabolites/HMDB06813 HMDB NA NA +HMDB06813 1-Phosphatidyl-D-myo-inositol C11H17O13P 388.04068 HMDB06813 PFEM_hmdb_metabocards_official NA NA +MJ052086 Dothistromin; 3-Hydroxy C18H12O10 388.043046 NA MeJP NA NA +MJ052087 Eckol; 7-Hydroxy C18H12O10 388.043046 NA MeJP NA NA +MJ052088 Erimopyrone C18H12O10 388.043046 NA MeJP NA NA +MJ052089 Hydnuferruginin C18H12O10 388.043046 NA MeJP NA NA +MJ052090 Jamesopyrone C18H12O10 388.043046 NA MeJP NA NA +MJ052091 Salazinic acid C18H12O10 388.043046 NA MeJP NA NA +MJ052092 2-Bromo-3-chloro-5-hydroxy-7(14),9-chamigradien-8-one; Ac C17H22BrClO3 388.044084 NA MeJP NA NA +MJ052093 Aplysinopsin; 6-Bromo, N1-propanoyl C17H17BrN4O2 388.053488 NA MeJP NA NA +MJ052094 Nostoclide I C21H18Cl2O3 388.063299 NA MeJP NA NA +MJ052095 Chelonin B C19H21BrN2O2 388.07864 NA MeJP NA NA +FL5FALNS0018 5,7,2',5'-Tetrahydroxy-3,4'-dimethoxyflavone 5'-acetate C19H16O9 388.07943 113139-94-9 knapsack NA NA +FL5FFCNS0027 Gossypetin 7,4'-dimethyl ether 8-acetate C19H16O9 388.07943 69306-87-2 knapsack NA NA +FL5FGCNS0022 3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone C19H16O9 388.07943 153506-99-1 knapsack NA NA +MJ052096 1,6,8-Trihydroxy-3-methylanthraquinone-2-carboxylic acid; 2,3-Dihydroxypropyl ester(S-) C19H16O9 388.079432 NA MeJP NA NA +MJ052097 2',3,4',5,5',7-Hexahydroxyflavone; 3,4'-Di-Me ether, 5'-Ac C19H16O9 388.079432 NA MeJP NA NA +MJ052098 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4'-Methylene, 6,7,8-tri-Me ether C19H16O9 388.079432 NA MeJP NA NA +MJ052099 3,3',4',5,7,8-Hexahydroxyflavone; 4',7-Di-Me ether, 8-O-Ac C19H16O9 388.079432 NA MeJP NA NA +MJ052100 Antibiotic WP 3688-3 C19H16O9 388.079432 NA MeJP NA NA +MJ052101 Chrysoquinone A C19H16O9 388.079432 NA MeJP NA NA +MJ052102 Flavellagic acid; Penta-Me ether C19H16O9 388.079432 NA MeJP NA NA +MJ052103 Hypoconstictic acid C19H16O9 388.079432 NA MeJP NA NA +MJ052104 Psoromic acid; 2-Methoxy C19H16O9 388.079432 NA MeJP NA NA +MJ052105 Stictic acid; 1''-Alcohol C19H16O9 388.079432 NA MeJP NA NA +MJ052106 5-[[2-(2-Naphthalenylmethyl)-5-benzoxazolyl]methyl]-2,4-thiazolidinedione C22H16N2O3S 388.088163 NA MeJP NA NA +MJ052107 Betanidin C18H16N2O8 388.090665 NA MeJP NA NA +HMDB12220 Dopaxanthin quinone C18H16N2O8 388.090668 NA HMDB2010 NA NA +C08539 Betanidin C18H16N2O8 388.0907 NA KEGG NA NA +C17753 Dopaxanthin quinone C18H16N2O8 388.0907 NA KEGG NA NA +MJ052108 2,2'-Methylenebis[8-hydroxy-3-methyl-1,4-naphthalenedione] C23H16O6 388.094688 NA MeJP NA NA +MJ052109 4,11-Dihydroxy-5-methoxy-2,9-dimethyldinaphtho[1,2-b:2',3'-d]furan-7,12-quinone C23H16O6 388.094688 NA MeJP NA NA +MJ052110 5,6-Dihydro-1,7,9,11-tetrahydroxy-3-methylbenzo[a]naphthacene-8,13-dione C23H16O6 388.094688 NA MeJP NA NA +MJ052111 Ixoside C16H20O11 388.100561 NA MeJP NA NA +MJ052112 myo-Inosose 2; Penta-Ac C16H20O11 388.100561 NA MeJP NA NA +MJ052113 Zopiclone C17H17ClN6O3 388.105066 NA MeJP NA NA +FL2FACNP0007 Sigmoidin G C20H20O8 388.11581 151590-50-0 knapsack NA NA +FL2FEGNS0001 Agecorynin A C20H20O8 388.11581 77053-46-4 knapsack NA NA +FL3FALNS0006 5-Hydroxy-7,2',3',4',5'-pentamethoxyflavone;5-Hydroxy-7-methoxy-2-(2,3,4,5-tetramethoxyphenyl)-4H-1-benzopyran-4-one C20H20O8 388.11581 132923-24-1 knapsack NA NA +FL3FEGNS0009 Umuhengerin;5-Hydroxy-6,7,3',4',5'-pentamethoxyflavone;5-Hydroxy-6,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C20H20O8 388.11581 29215-55-2 knapsack NA NA +FL3FEGNS0014 Ageconyflavone C;4'-Hydroxy-5,6,7,3',5'-pentamethoxyflavone;2-(4-Hydroxy-3,5-dimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one C20H20O8 388.11581 93124-90-4 knapsack NA NA +FL3FELNS0004 Agehoustin G C20H20O8 388.11581 96410-44-5 knapsack NA NA +FL3FFLNS0003 Serpyllin;5-Hydroxy-2',3',4',7,8-pentamethoxyflavone;5-Hydroxy-7,8-dimethoxy-2-(2,3,4-trimethoxyphenyl)-4H-1-benzopyran-4-one C20H20O8 388.11581 21315-67-3 knapsack NA NA +FL3FGCNS0011 3'-Hydroxy-5,6,7,8,4'-pentamethoxyflavone C20H20O8 388.11581 112448-39-2 knapsack NA NA +FL3FGCNS0012 Demethylnobiletin;5-Hydroxy-6,7,8,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one C20H20O8 388.11581 2174-59-6 knapsack NA NA +FL5F3LNS0001 2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone;2-(2-Hydroxy-4,5-dimethoxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one C20H20O8 388.11581 178275-88-2 knapsack NA NA +FL5FALNS0014 5'-hydroxy-3,5,7,2',4'-pentamethoxyflavone C20H20O8 388.11581 129554-05-8 knapsack NA NA +FL5FALNS0015 2'-Hydroxy-3,5,7,4',5'-pentamethoxyflavone C20H20O8 388.11581 72947-61-6 knapsack NA NA +FL5FALNS0016 5-Hydroxy-3,7,2',4',5'-pentamethoxyflavone C20H20O8 388.11581 72947-63-8 knapsack NA NA +FL5FDKNS0004 Combretol;5-Hydroxy-3,3',4',5',7-pentamethoxyflavone;5-Hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C20H20O8 388.11581 5084-19-5 knapsack NA NA +FL5FDKNS0007 3-Hydroxy-5,7,3',4',5'-pentamethoxyflavone;3-Hydroxy-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C20H20O8 388.11581 190323-49-0 knapsack NA NA +FL5FE8NS0001 Grantiodin C20H20O8 388.11581 134779-24-1 knapsack NA NA +FL5FECNM0003 8-C-Methylquercetagetin 3,6,7,3'-tetramethyl ether C20H20O8 388.11581 140899-10-1 knapsack NA NA +FL5FECNM0004 8-C-Methylquercetagetin 3,6,7,4'-tetramethyl ether;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-8-methyl-4H-1-benzopyran-4-one C20H20O8 388.11581 151649-37-5 knapsack NA NA +FL5FECNS0034 Quercetagetin 3,5,6,7,3'-pentamethyl ether;4'-Hydroxy-3,5,6,7,3'-pentamethoxyflavone;2-(4-Hydroxy-3-methoxyphenyl)-3,5,6,7-tetramethoxy-4H-1-benzopyran-4-one C20H20O8 388.11581 910-43-0 knapsack NA NA +FL5FECNS0035 Quercetagetin 3,5,6,3',4'-pentamethyl ether;7-Hydroxy-3,5,6,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-7-hydroxy-3,5,6-trimethoxy-4H-1-benzopyran-4-one C20H20O8 388.11581 57393-68-7 knapsack NA NA +FL5FECNS0036 Artemetin;Quercetagetin 3,6,7,3',4'-pentamethyl ether;3,6,7,3',4'-Pentamethylquercetagetin;2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one C20H20O8 388.11581 479-90-3 knapsack NA NA +FL5FECNS0038 Quercetagetin 5,6,7,3',4'-pentamethyl ether;Marionol;3',4',5,6,7-Pentamethylquercetagetin;2-(3,4-Dimethoxyphenyl)-3-hydroxy-5,6,7-trimethoxy-4H-1-benzopyran-4-one C20H20O8 388.11581 65602-55-3 knapsack NA NA +FL5FFCNS0022 Gossypetin 3,5,7,8,3'-pentamethyl ether C20H20O8 388.11581 7741-44-8 knapsack NA NA +FL5FFCNS0023 Gossypetin 3,5,8,3',4'-pentamethyl ether C20H20O8 388.11581 33554-63-1 knapsack NA NA +FL5FFCNS0024 Gossypetin 3,7,8,3',4'-pentamethyl ether;5-Hydroxy-3,7,8,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7,8-trimethoxy-4H-1-benzopyran-4-one C20H20O8 388.11581 14965-12-9 knapsack NA NA +FL5FFLNS0003 5-Hydroxy-3,7,8,2',4'-pentamethoxyflavone C20H20O8 388.11581 71787-04-7 knapsack NA NA +FL5FG9NS0007 Emmaosunin C20H20O8 388.11581 53950-57-5 knapsack NA NA +FL5FGANS0008 5-Hydroxyauranetin;5-Hydroxy-3,6,7,8,4'-pentamethoxyflavone;5-Hydroxy-3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-1-Benzopyran-4-one C20H20O8 388.11581 50439-46-8 knapsack NA NA +MJ052114 2',3',4',5,5',7-Hexahydroxyflavone; 2',3',4',5',7-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052115 2',3',4',5,7,8-Hexahydroxyflavone; 2',3',4',7,8-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052116 2',3,4',5',7,8-Hexahydroxyflavone; 3,4',5',7,8-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052117 2',3,4',5,5',7-Hexahydroxyflavone; 2',3,4',5,7-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052118 2',3,4',5,5',7-Hexahydroxyflavone; 3,4',5,5',7-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052119 2',3,4',5,7,8-Hexahydroxyflavone; 2',3,4',7,8-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052120 2',3,5,5',6,7-Hexahydroxyflavone; 2',3,5',6,7-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052121 2',3,5,5',6,7-Hexahydroxyflavone; 2',3,5,5',7-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052122 2',4',5,5',6,7-Hexahydroxyflavone; 2',4',5',6,7-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052123 2',5,6,6',7,8-Hexahydroxyflavone; 2',6,6',7,8-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052124 2,4,6-Phenanthrenetriol; 2-O-?-D-Glucopyranoside C20H20O8 388.115817 NA MeJP NA NA +MJ052125 2-Carboxy-3-(3,4-dihydroxyphenyl)-2,3-dihydro-5,6-dihydroxy-1H-indene-1-acetic acid, Di-Me ester C20H20O8 388.115817 NA MeJP NA NA +MJ052126 3',4',5,5',6,7-Hexahydroxyflavanone, 3',5,6,7-Tetra-Me, 4',5'-methylene ether C20H20O8 388.115817 NA MeJP NA NA +MJ052127 3',4',5,5',6,7-Hexahydroxyflavone; 3',4',5',6,7-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052128 3',4',5,5',6,7-Hexahydroxyflavone; 3',5,5',6,7-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052129 3',4',5,6,7,8-Hexahydroxyflavone; 3',4',5,6,8-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052130 3',4',5,6,7,8-Hexahydroxyflavone; 3',4',6,7,8-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052131 3',4',5,6,7,8-Hexahydroxyflavone; 3',5,6,7,8-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052132 3',4',5,6,7,8-Hexahydroxyflavone; 4',5,6,7,8-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052133 3,3',4',5,5',7-Hexahydroxyflavone; 3',4',5,5',7-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052134 3,3',4',5,5',7-Hexahydroxyflavone; 3,3',4',5',7-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052135 3,3',4',5,6,7-Hexahydroxy-8-methylflavone; 3,3',6,7-Tetra-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052136 3,3',4',5,6,7-Hexahydroxyflavone; 3',4',5,6,7-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052137 3,3',4',5,6,7-Hexahydroxyflavone; 3,3',4',5,6-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052138 3,3',4',5,6,7-Hexahydroxyflavone; 3,3',5,6,7-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052139 3,3',4',5,7,8-Hexahydroxyflavone; 3,3',4',5,8-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052140 3,3',4',5,7,8-Hexahydroxyflavone; 3,3',5,7,8-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052141 3,3',5,6,7,8-Hexahydroxyflavone; 3,3',6,7,8-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052142 3,4',5,6,7,8-Hexahydroxyflavone; 3,4',5,6,8-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052143 3,4',5,6,7,8-Hexahydroxyflavone; 3,4',6,7,8-Penta-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052144 3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), Me ester C20H20O8 388.115817 NA MeJP NA NA +MJ052145 5-Hydroxy-3,3',4',6,7-pentamethoxyflavone C20H20O8 388.115817 NA MeJP NA NA +MJ052146 5-Hydroxy-3,3',4',7,8-pentamethoxyflavone C20H20O8 388.115817 NA MeJP NA NA +MJ052147 Atranorin; 2'-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052148 Aurantionone C20H20O8 388.115817 NA MeJP NA NA +MJ052149 Fibleucin; 2?,3?-Epoxide, 6?-hydroxy C20H20O8 388.115817 NA MeJP NA NA +MJ052150 Funicone; 3-Me ether C20H20O8 388.115817 NA MeJP NA NA +MJ052151 Naphthgeranine D C20H20O8 388.115817 NA MeJP NA NA +MJ052152 Saudinolide C20H20O8 388.115817 NA MeJP NA NA +MJ052153 Sculezonone A C20H20O8 388.115817 NA MeJP NA NA +MJ052154 Sigmoidin D; 4'?-Hydroxy C20H20O8 388.115817 NA MeJP NA NA +MJ052155 Wikstromol, 7'-Oxo C20H20O8 388.115817 NA MeJP NA NA +MJ052156 Fipexide C20H21ClN2O4 388.118984 NA MeJP NA NA +CJneg0580 Sucrose (and isomers) [(M-H)+(HCOOH)]- C13H23O13 388.122225 C18rt(min)=0.95 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0580 Sucrose (and isomers) [(M-H)+(HCOOH)]- C13H23O13 388.122225 C18rt(min)=0.95 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ052157 1,2-Diphenyl-4-[2-(phenylthio)ethyl]-3,5-pyrazolidinedione C23H20N2O2S 388.124548 NA MeJP NA NA +C16489 Fructoselysine 6-phosphate C12H25N2O10P 388.1247 NA KEGG NA NA +MJ052158 Aranidipine C19H20N2O7 388.127051 NA MeJP NA NA +FL1DA9NN0001 Calomelanol D-1 C24H20O5 388.13107 73810-61-4 knapsack NA NA +MJ052159 8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin; 2',3'-Dihydro C24H20O5 388.131073 NA MeJP NA NA +C01852 Secologanin C17H24O10 388.1369 NA KEGG NA NA +C09781 Geniposide C17H24O10 388.1369 NA KEGG NA NA +C09802 Verbenalin C17H24O10 388.1369 NA KEGG NA NA +MJ052160 Arborescosidic acid; Me ester C17H24O10 388.136946 NA MeJP NA NA +MJ052161 Aucubigenin; 10-Ac, 1-O-?-D-glucopyranoside C17H24O10 388.136946 NA MeJP NA NA +MJ052162 Aucubigenin; 6-Ac, 1-O-?-D-glucopyranoside C17H24O10 388.136946 NA MeJP NA NA +MJ052163 Deutziogenin, 1-O-(6-O-Acetyl-?-D-glucopyranoside) C17H24O10 388.136946 NA MeJP NA NA +MJ052164 Gardoside; Me ester C17H24O10 388.136946 NA MeJP NA NA +MJ052165 Geniposidic acid; Me ester C17H24O10 388.136946 NA MeJP NA NA +MJ052166 Genistifolin C17H24O10 388.136946 NA MeJP NA NA +MJ052167 Loganic acid; 7-Ketone, Me ester C17H24O10 388.136946 NA MeJP NA NA +MJ052168 Majoroside C17H24O10 388.136946 NA MeJP NA NA +MJ052169 Monotropein; 8-Deoxy, Me ester C17H24O10 388.136946 NA MeJP NA NA +MJ052170 Secologanin C17H24O10 388.136946 NA MeJP NA NA +MJ052171 Syringenone; 7?,8?-Epoxide C17H24O10 388.136946 NA MeJP NA NA +MJ052172 Verbenalol; O-?-D-Glucopyranoside C17H24O10 388.136946 NA MeJP NA NA +MJ052173 Vogeloside C17H24O10 388.136946 NA MeJP NA NA +MJ052174 Secologanin C17H24O10 388.136947 NA MeJP NA NA +MetaCyc03328 secologanin [(-)-secologanin;] C17H24O10 388.136947 NA metacyc NA NA +MJ052175 [6-[(3,4,5-Trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamic acid; Me ester C18H20N4O6 388.138284 NA MeJP NA NA +C04541 N5-Dinitrophenyl-L-ornithine methyl ester C18H20N4O6 388.1383 NA KEGG NA NA +C04542 Protein beta-D-galactosyl-L-hydroxylysine C13H23N3O8R2 388.1383 NA KEGG NA NA +MJ052176 Flustramine A C21H29BrN2 388.151411 NA MeJP NA NA +MJ052177 Flustramine D C21H29BrN2 388.151411 NA MeJP NA NA +MJ052178 Flustramine E; N8-(3-Methyl-2-butenyl) C21H29BrN2 388.151411 NA MeJP NA NA +MJ052179 Isoflustramine D C21H29BrN2 388.151411 NA MeJP NA NA +C09260 Dihydrosamidin C21H24O7 388.1522 NA KEGG NA NA +C09316 Visnadin C21H24O7 388.1522 NA KEGG NA NA +C10891 Trachelogenin C21H24O7 388.1522 NA KEGG NA NA +FL1CALNS0004 2,3,4,2',4',6'-Hexamethoxychalcone C21H24O7 388.1522 639087-94-8 knapsack NA NA +FLIDHXNI0008 Sphenostylin C;(6aS,11aS)-3,6a,8-Trihydroxy-9-methoxy-10-(3-hydroxy-3-methylbutyl)pterocarpan C21H24O7 388.1522 115610-57-6 knapsack NA NA +MJ052180 15,16-Epoxy-13(16),14-halimadiene-17,12:20,7-diolid-19-oic acid, Me ester C21H24O7 388.152203 NA MeJP NA NA +MJ052181 15,16-Epoxy-6-hydroxy-19-nor-13(16),14-clerodadiene-17,12:18,2-diolide, Ac C21H24O7 388.152203 NA MeJP NA NA +MJ052182 2-(1,4-Dihydroxy-4-methylpentyl)-5,8-dihydroxy-1,4-naphthoquinone, 2',3'-Didehydro, 1'-O-(2-methylbutanoyl) C21H24O7 388.152203 NA MeJP NA NA +MJ052183 2-(1,4-Dihydroxy-4-methylpentyl)-5,8-dihydroxy-1,4-naphthoquinone, 2',3'-Didehydro, 1'-O-(3-methylbutanoyl) C21H24O7 388.152203 NA MeJP NA NA +MJ052184 2-(1,4-Dihydroxy-4-methylpentyl)-5,8-dihydroxy-1,4-naphthoquinone, 1'-(3-Methyl-2-butenoyl) C21H24O7 388.152203 NA MeJP NA NA +MJ052185 3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3,3',5-Tri-Me ether C21H24O7 388.152203 NA MeJP NA NA +MJ052186 3,3',4,4',8-Pentahydroxylignan-9,9'-olide, 3,3',4'-Tri-Me ether C21H24O7 388.152203 NA MeJP NA NA +MJ052187 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3'-Me ether, 9-Ac C21H24O7 388.152203 NA MeJP NA NA +MJ052188 3,6:7,8-Diepoxy-3,5,11,15-cembratetraen-20,10-olid-18-oic acid, 11?,12?-Epoxide, Me ester C21H24O7 388.152203 NA MeJP NA NA +MJ052189 3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3',5'-Di-Me ether, 1-O-(4-hydroxy-3-methoxycinnamoyl)(E-) C21H24O7 388.152203 NA MeJP NA NA +MJ052190 4'-(2,3-Epoxy-1-hydroxypropyl)-2-hydroxy-5-(3-hydroxy-1-propenyl)-2',3-dimethoxybiphenyl; 6'-Methoxy C21H24O7 388.152203 NA MeJP NA NA +MJ052191 4,4',7-Trihydroxy-3,3'-dimethoxylignan-9,9'-olide, 7-Me ether C21H24O7 388.152203 NA MeJP NA NA +MJ052192 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(3-Hydroxy-3-methylbutanoyl) C21H24O7 388.152203 NA MeJP NA NA +MJ052193 5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 6-Me ether, 3-O-[2-(acetoxymethyl)-2-butenoyl](Z-) C21H24O7 388.152203 NA MeJP NA NA +MJ052194 6,19:15,16-Diepoxy-19-hydroxy-5(10),13(16),14-halimatrien-20,12-olid-18-oic acid, Me ester C21H24O7 388.152203 NA MeJP NA NA +MJ052195 6-Methoxy-3',4'-dehydromurranganon; O-(3-Methylbutanoyl) C21H24O7 388.152203 NA MeJP NA NA +MJ052196 8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 11-(2-Methylpropenoyl), 8-Ac C21H24O7 388.152203 NA MeJP NA NA +MJ052197 8,13-Dihydroxy-2-oxo-1(10),4,7(11)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac C21H24O7 388.152203 NA MeJP NA NA +MJ052198 8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 9-Ac C21H24O7 388.152203 NA MeJP NA NA +MJ052199 8-Hydroxypinoresinol; 4'-Me ether C21H24O7 388.152203 NA MeJP NA NA +MJ052200 Anthriscusin C21H24O7 388.152203 NA MeJP NA NA +MJ052201 Arctigenin, 7'S-Hydroxy C21H24O7 388.152203 NA MeJP NA NA +MJ052202 Arenol C21H24O7 388.152203 NA MeJP NA NA +MJ052203 Aviprin, 2'-O-(3-Methylbutanoyl) C21H24O7 388.152203 NA MeJP NA NA +MJ052204 Cuevaene B C21H24O7 388.152203 NA MeJP NA NA +MJ052205 Dihydrotrichostin C21H24O7 388.152203 NA MeJP NA NA +MJ052206 Divaricatic acid C21H24O7 388.152203 NA MeJP NA NA +MJ052207 Gibberellin A3; 3-Ac C21H24O7 388.152203 NA MeJP NA NA +MJ052208 Gorgiacerodiol C21H24O7 388.152203 NA MeJP NA NA +MJ052209 Heraclenol, 2'-O-(3-Methylbutanoyl) C21H24O7 388.152203 NA MeJP NA NA +MJ052210 Isogorgiacerodiol C21H24O7 388.152203 NA MeJP NA NA +MJ052211 KS 506h C21H24O7 388.152203 NA MeJP NA NA +MJ052212 Khellactone, 10-O-(2-Methylbutanoyl), 9-Ac C21H24O7 388.152203 NA MeJP NA NA +MJ052213 Khellactone, 10-O-(3-Methylbutanoyl), 9-Ac C21H24O7 388.152203 NA MeJP NA NA +MJ052214 Khellactone, 9-O-(3-Methylbutanoyl), 10-Ac C21H24O7 388.152203 NA MeJP NA NA +MJ052215 Khellactone, 9-O-(2-Methylbutanoyl), 10-Ac C21H24O7 388.152203 NA MeJP NA NA +MJ052216 Lanugone R C21H24O7 388.152203 NA MeJP NA NA +MJ052217 Lunatoic acid A C21H24O7 388.152203 NA MeJP NA NA +MJ052218 MS 3 C21H24O7 388.152203 NA MeJP NA NA +MJ052219 Medioresinol C21H24O7 388.152203 NA MeJP NA NA +MJ052220 Orientanol A C21H24O7 388.152203 NA MeJP NA NA +MJ052221 Oxaguianin C21H24O7 388.152203 NA MeJP NA NA +MJ052222 Rameswaralide C21H24O7 388.152203 NA MeJP NA NA +MJ052223 Rishirilide A C21H24O7 388.152203 NA MeJP NA NA +MJ052224 Secohypoleucolide C21H24O7 388.152203 NA MeJP NA NA +MJ052225 Sphenostylin C C21H24O7 388.152203 NA MeJP NA NA +MJ052226 Subsphaeric acid C21H24O7 388.152203 NA MeJP NA NA +MJ052227 Taxifolial B C21H24O7 388.152203 NA MeJP NA NA +MJ052228 Tenellic acid B C21H24O7 388.152203 NA MeJP NA NA +MJ052229 Teubetonin C21H24O7 388.152203 NA MeJP NA NA +MJ052230 Vaginidiol; 1''-O-3-(Methylbutanoyl), 3'-O-Ac C21H24O7 388.152203 NA MeJP NA NA +MJ052231 Vaginidiol; 3'-O-(2-Methylbutanoyl), 1''-Ac C21H24O7 388.152203 NA MeJP NA NA +MJ052232 Visnadine C21H24O7 388.152203 NA MeJP NA NA +MJ052233 Xanthomonasin A C21H24O7 388.152203 NA MeJP NA NA +HMDB05032 Cetirizine C21H25ClN2O3 388.15536 http://www.hmdb.ca/metabolites/HMDB05032 HMDB NA NA +HMDB05032 Cetirizine C21H25ClN2O3 388.15536 HMDB05032 PFEM_hmdb_metabocards_official NA NA +HMDB05032 Cetirizine C21H25ClN2O3 388.155365 NA HMDB2010 NA NA +MJ052234 Betotastine C21H25ClN2O3 388.15537 NA MeJP NA NA +MJ052235 Cetirizine C21H25ClN2O3 388.15537 NA MeJP NA NA +C07778 Cetirizine C21H25ClN2O3 388.1554 NA KEGG NA NA +C07779 Transferred to D00664 C21H25ClN2O3 388.1554 NA KEGG NA NA +C07780 Transferred to D00665 C21H25ClN2O3 388.1554 NA KEGG NA NA +C07781 Transferred to D00666 C21H25ClN2O3 388.1554 NA KEGG NA NA +C07782 Transferred to D00667 C21H25ClN2O3 388.1554 NA KEGG NA NA +C07783 Transferred to D00668 C21H25ClN2O3 388.1554 NA KEGG NA NA +C07784 Transferred to D00669 C21H25ClN2O3 388.1554 NA KEGG NA NA +PJ000771 GSPE C15H24N4O8 388.1594 NA PeJP NA NA +8049 synthetic peptide PWS 388.163 antioxidative Inhouse_peptide NA peptide +C07699 Nisoldipine C20H24N2O6 388.1634 NA KEGG NA NA +C07700 Transferred to D00619 C20H24N2O6 388.1634 NA KEGG NA NA +C07701 Transferred to D00620 C20H24N2O6 388.1634 NA KEGG NA NA +C07702 Transferred to D00621 C20H24N2O6 388.1634 NA KEGG NA NA +C07703 Transferred to D00622 C20H24N2O6 388.1634 NA KEGG NA NA +MJ052236 Nisoldipine C20H24N2O6 388.163436 NA MeJP NA NA +MJ052237 m-Nisoldipine C20H24N2O6 388.163436 NA MeJP NA NA +FL1C1ANP0017 Paratocarpin A;Bis(6'',6''-dimethylpyrano)[2'',3'':4',3'][2'',3'':4,3]-2'-hydroxychalcone C25H24O4 388.16745 161099-56-5 knapsack NA NA +FL1CA9NP0005 Flemiculosin C25H24O4 388.16745 89354-00-7 knapsack NA NA +FL2F1ANP0004 Xambioona C25H24O4 388.16745 82345-36-6 knapsack NA NA +FL2FA9NP0004 Spinoflavanone A;5-Hydroxy-6-(3-methyl-1,3-butadienyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone C25H24O4 388.16745 146959-80-0 knapsack NA NA +FL3F1ANP0001 Kanzonol E;2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-7-hydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C25H24O4 388.16745 155233-21-9 knapsack NA NA +MJ052238 Ajamxanthone C25H24O4 388.167459 NA MeJP NA NA +MJ052239 Bidwillon C; 4'-O-(3-Methyl-2-butenyl) C25H24O4 388.167459 NA MeJP NA NA +MJ052240 Flemiculosin C25H24O4 388.167459 NA MeJP NA NA +MJ052241 Kanzonol E C25H24O4 388.167459 NA MeJP NA NA +MJ052242 Paratocarpin A C25H24O4 388.167459 NA MeJP NA NA +MJ052243 Spinoflavanone A C25H24O4 388.167459 NA MeJP NA NA +MJ052244 Xambioona C25H24O4 388.167459 NA MeJP NA NA +MJ052245 Pinacyanol; Chloride C25H25ClN2 388.170626 NA MeJP NA NA +PJ000772 NQQ C14H24N6O7 388.1707 NA PeJP NA NA +C08558 Tuberonic acid glucoside C18H28O9 388.1733 NA KEGG NA NA +MJ052246 2-(5-Hydroxy-2-pentenyl)-3-oxocyclopentaneacetic acid, O-?-D-Glucopyranoside C18H28O9 388.173332 NA MeJP NA NA +MJ052247 2-O-Acetyl-1-O-(3-methylbutanoyl)-6-O-tigloyl-?-D-glucopyranose C18H28O9 388.173332 NA MeJP NA NA +MJ052248 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol; 1-O-?-D-Xylopyranoside C18H28O9 388.173332 NA MeJP NA NA +MJ052249 4,8-Dihydroxy-2-methyl-6-methylene-2-octenal, 8-O-(2-Acetyl-?-D-glucopyranoside) C18H28O9 388.173332 NA MeJP NA NA +MJ052250 Jasmonic acid; 12-?-D-Glucopyranosyloxy C18H28O9 388.173332 NA MeJP NA NA +MJ052251 Nuezhengalaside C18H28O9 388.173332 NA MeJP NA NA +MJ052252 Dnacin B1 C19H24N4O5 388.174669 NA MeJP NA NA +PJ000773 SPW C19H24N4O5 388.1747 NA PeJP NA NA +MJ052253 Purvalanol A C19H25ClN6O 388.177837 NA MeJP NA NA +PJ000774 AAPM C16H28N4O5S 388.1781 NA PeJP NA NA +MJ052254 1-[6-Amino-2-(1-hexynyl)-9H-purin-9-yl]-1-deoxy-N-ethyl-?-D-ribofuranuronamide C18H24N6O4 388.185903 NA MeJP NA NA +MJ052255 1,10-Epoxyfuranoeremophilane-3,6-diol, 3-Angeloyl, 6-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052256 1,12:15,16-Diepoxy-20-hydroxy-13(16),14-clerodadien-18,6-olide, 20-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052257 1,6,13-Trihydroxy-12,11-drimanolide, 6-Benzoyl C22H28O6 388.188588 NA MeJP NA NA +MJ052258 1,6-Dihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-Tigloyl, 1-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052259 1,6-Dihydroxyfuranoeremophilan-9-one, 6-(3-Methyl-2-butenoyl), 1-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052260 1,6-Dihydroxyfuranoeremophilan-9-one, 6-Angeloyl, 1-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052261 10-Hydroxy-3,15,17-sphenolobatrien-12,13-olid-19-oic acid, Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052262 11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; enol-form, 11-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052263 15,16-Epoxy-1,12-dihydroxy-3,13(16)14-clerodatrien-18,6-olide, 1-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052264 15,16-Epoxy-12,17-dihydroxy-3,13(16),14-clerodatrien-18,6-olide, 12-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052265 15,16-Epoxy-12-oxo-8(17),13(16),14-labdatrien-19,20-dioic acid; Di-Me ester C22H28O6 388.188588 NA MeJP NA NA +MJ052266 15,16-Epoxy-3-hydroxy-8(17),13(16),14-labdatrien-18-oic acid, 3-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052267 2,14-Dihydroxycacalol; 2?-form, 14-O-(2-Methylpropanoyl), 9-O-propanoyl C22H28O6 388.188588 NA MeJP NA NA +MJ052268 2,4,6-Trihydroxy-7-daucen-9-one, 6-(4-Hydroxybenzoyl) C22H28O6 388.188588 NA MeJP NA NA +MJ052269 2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol, 3,3',5,5'-Tetra-Me ether C22H28O6 388.188588 NA MeJP NA NA +MJ052270 2-Hydroxy-3,13-clerodadiene-15,16:18,19-diolide, Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052271 2-Hydroxy-3,13-clerodadiene-16,15:18,19-diolide, Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052272 3,20-Epoxy-6,15-dihydroxy-16-kaurene-1,7-dione, 15-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052273 3,20-Epoxy-6,15-dihydroxy-16-kaurene-1,7-dione, 6-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052274 3,3',4,4',5-Pentahydroxy-7,7'-epoxylignan, 3,3',4,5-Tetra-Me ether C22H28O6 388.188588 NA MeJP NA NA +MJ052275 3,3',4,4',5-Pentahydroxy-7,7'-epoxylignan, 3,3',4',5-Tetra-Me ether C22H28O6 388.188588 NA MeJP NA NA +MJ052276 3,3',4,4',7'-Pentahydroxy-7,9'-epoxylignan, 3,3',4,4'-Tetra-Me ether C22H28O6 388.188588 NA MeJP NA NA +MJ052277 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3',4,4'-Tetra-Me ether C22H28O6 388.188588 NA MeJP NA NA +MJ052278 3,3',4,4',9-Pentahydroxy-9,9'-epoxylignan, 3,3',4,4'-Tetra-Me ether C22H28O6 388.188588 NA MeJP NA NA +MJ052279 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl, 3-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052280 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 3-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052281 4,8:12,20:15,16:19,20-Tetraepoxy-13(16),14-clerodadien-6-ol, Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052282 7,12-Dihydroxy-8,12-abietadiene-11,14,20-trione; 7?-form, 7-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052283 7,12-Dihydroxy-8,12-abietadiene-12,6-olide, 7-Et ether C22H28O6 388.188588 NA MeJP NA NA +MJ052284 7,20-Epoxy-6,7,15-trihydroxy-2,16-kauradien-1-one, 15-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052285 7,7a-Dihydro-7a-[1-methyl-2-(3,4,5-trimethoxyphenyl)ethyl]-6-(2-propenyl)-1,3-benzodioxol-5(6H)-one C22H28O6 388.188588 NA MeJP NA NA +MJ052286 7,8-Dihydro-5,7-dihydroxy-8,8-dimethyl-10-(2-methyl-1-oxobutyl)-4-propyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one C22H28O6 388.188588 NA MeJP NA NA +MJ052287 7,8-Dihydro-5,7-dihydroxy-8,8-dimethyl-10-(3-methyl-1-oxobutyl)-4-propyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one C22H28O6 388.188588 NA MeJP NA NA +MJ052288 7,9-Dihydroxy-3,3',4,4'-tetramethoxy-(8?9')-neolign-7'-ene C22H28O6 388.188588 NA MeJP NA NA +MJ052289 7-Hydroxy-3,13-clerodadiene-16,15:18,19-diolide, Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052290 8,12-Dihydroxy-4-isocedren-15,14-olide; 8-Angeloyl, 12-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052291 8,12-Dihydroxy-4-isocedren-15,14-olide; 8-O-(3-Methyl-2-butenoyl), 12-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052292 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(3-methyl-1-oxobutyl)-4-propyl-2H-furo[2,3-h]-1-benzopyran-2-one C22H28O6 388.188588 NA MeJP NA NA +MJ052293 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl, 9-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052294 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2E-butenoyl) C22H28O6 388.188588 NA MeJP NA NA +MJ052295 Calanolide E C22H28O6 388.188588 NA MeJP NA NA +MJ052296 Canellin D C22H28O6 388.188588 NA MeJP NA NA +MJ052297 Carnosol; 16-Acetoxy C22H28O6 388.188588 NA MeJP NA NA +MJ052298 Chrysophyllin B C22H28O6 388.188588 NA MeJP NA NA +MJ052299 Coleon J; 3-Epimer, 7-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052300 Coleon J; 7-Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052301 Coleon O C22H28O6 388.188588 NA MeJP NA NA +MJ052302 Cyclomammein C22H28O6 388.188588 NA MeJP NA NA +MJ052303 Cycloneomammein C22H28O6 388.188588 NA MeJP NA NA +MJ052304 Dunnianin; 6-Deoxy C22H28O6 388.188588 NA MeJP NA NA +MJ052305 Dysodanthin B C22H28O6 388.188588 NA MeJP NA NA +MJ052306 Eremantholide B; 17,18-Didehydro(Z-), Et ether C22H28O6 388.188588 NA MeJP NA NA +MJ052307 Fredericone B C22H28O6 388.188588 NA MeJP NA NA +MJ052308 Gelomulide C; 1?-Acetoxy C22H28O6 388.188588 NA MeJP NA NA +MJ052309 Gelomulide J; Ac C22H28O6 388.188588 NA MeJP NA NA +MJ052310 Gelomulolide H C22H28O6 388.188588 NA MeJP NA NA +MJ052311 Gomisin K1; 5-O-De-Me C22H28O6 388.188588 NA MeJP NA NA +MJ052312 Homoheveadride C22H28O6 388.188588 NA MeJP NA NA +MJ052313 Isoapetalic acid C22H28O6 388.188588 NA MeJP NA NA +MJ052314 Isocalolongic acid C22H28O6 388.188588 NA MeJP NA NA +MJ052315 Isodoacetal C22H28O6 388.188588 NA MeJP NA NA +MJ052316 Lancilin C22H28O6 388.188588 NA MeJP NA NA +MJ052317 MAB 4 C22H28O6 388.188588 NA MeJP NA NA +MJ052318 Macquarimicin B C22H28O6 388.188588 NA MeJP NA NA +MJ052319 Macrophyllin B C22H28O6 388.188588 NA MeJP NA NA +MJ052320 Neomammein, 1'''-Hydroxy C22H28O6 388.188588 NA MeJP NA NA +MJ052321 Pachypophyllin C22H28O6 388.188588 NA MeJP NA NA +MJ052322 Pachypostaudin B; 3,4-Dihydro C22H28O6 388.188588 NA MeJP NA NA +MJ052323 Piperenone C22H28O6 388.188588 NA MeJP NA NA +MJ052324 Plectranthone F; 15,16-Dihydro, 15?-acetoxy C22H28O6 388.188588 NA MeJP NA NA +MJ052325 Plectranthone H C22H28O6 388.188588 NA MeJP NA NA +MJ052326 Quassin C22H28O6 388.188588 NA MeJP NA NA +MJ052327 Scytalidin; Deoxy C22H28O6 388.188588 NA MeJP NA NA +MJ052328 Syl B C22H28O6 388.188588 NA MeJP NA NA +MJ052329 Trichoaurantianolide A C22H28O6 388.188588 NA MeJP NA NA +MJ052330 Trichorabdal D; 3,11-Dideoxy C22H28O6 388.188588 NA MeJP NA NA +MJ052331 Virolin; 5-Methoxy C22H28O6 388.188588 NA MeJP NA NA +MJ052332 Virolongin A, 4-O-De-Me C22H28O6 388.188588 NA MeJP NA NA +MJ052333 Wederegiolide; 15-Acetoxy C22H28O6 388.188588 NA MeJP NA NA +C08778 Quassin C22H28O6 388.1886 NA KEGG NA NA +C10888 Surinamensin C22H28O6 388.1886 NA KEGG NA NA +MJ052334 Suxethonium(2+); Dichloride C16H34Cl2N2O4 388.189563 NA MeJP NA NA +PJ000775 LQE C16H28N4O7 388.1958 NA PeJP NA NA +7737 NA IAYKPEG 388.1965 MH2+ Inhouse_peptide NA peptide +MJ052335 3-Bromo-9,13-labdanediol C20H37BrO2 388.197693 NA MeJP NA NA +C07178 Trimethobenzamide C21H28N2O5 388.1998 NA KEGG NA NA +C07179 Transferred to D00394 C21H28N2O5 388.1998 NA KEGG NA NA +MJ052336 Ramiprilat C21H28N2O5 388.199822 NA MeJP NA NA +MJ052337 Trimethobenzamide C21H28N2O5 388.199822 NA MeJP NA NA +MJ052338 Zabiciprilat C21H28N2O5 388.199822 NA MeJP NA NA +8005 synthetic peptide LWA 388.2 antibacterial Inhouse_peptide NA peptide +FL3F99NI0001 5-Methoxy-7,8-diprenylflavone C26H28O3 388.20384 - knapsack NA NA +PJ000776 NQK C15H28N6O6 388.207 NA PeJP NA NA +PJ000777 VDR C15H28N6O6 388.2071 NA PeJP NA NA +C17452 Rehmaionoside C C19H32O8 388.2097 NA KEGG NA NA +MJ052339 1,4,6,11,12,13-Eudesmanehexol, 12,13-Di-Ac C19H32O8 388.209718 NA MeJP NA NA +MJ052340 2,3-Dihydroxy-4-megastigmen-9-one; 3-O-?-D-Glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052341 3,11-Dihydroxy-5-megastigmen-9-one, 11-O-?-D-Glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052342 3,4-Dihydroxy-5-megastigmen-9-one; 3-O-?-D-Glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052343 3,6-Dihydroxy-7-megastigmen-9-one; 3-O-?-D-Glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052344 5,11-Epoxy-7-megastigmene-3,9-diol, 3-O-?-D-Glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052345 5,11-Epoxy-7-megastigmene-3,9-diol, 7,8-Dihydro, 9-ketone, 3-O-?-D-glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052346 5,6-Epoxy-7-megastigmene-3,9-diol, 9-O-?-D-Glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052347 5,6-Epoxy-7-megastigmene-3,9-diol, 3-O-?-D-Glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052348 5,6-Epoxy-7-megastigmene-3,9-diol, 9-O-?-D-Glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052349 5,6-Epoxy-7-megastigmene-3,9-diol, 3-O-?-D-Glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052350 5,7-Megastigmadiene-3,4,9-triol, 3-O-?-D-Glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052351 5,7-Megastigmadiene-3,4,9-triol, 4-O-?-D-Glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052352 5,7-Megastigmadiene-3,4,9-triol, 3-O-?-D-Glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052353 6,7-Megastigmadiene-3,5,9-triol; 9-O-?-D-Glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052354 6,9-Dihydroxy-4,7-megastigmadien-3-one, 7,8-Dihydro, 9-O-?-D-glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052355 6,9-Dihydroxy-7-megastigmen-3-one, 9-O-?-D-Glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052356 7-Megastigmene-3,6,9-triol, 9-Ketone, 3-O-?-D-glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052357 7-Megastigmene-5,6,9-triol, 9-Ketone, 5-O-?-D-glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052358 9,11-Dihydroxy-4-megastigmen-3-one, 11-O-?-D-Glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052359 9,13-Dihydroxy-4-megastigmen-3-one; 9-O-?-D-Glucopyranoside C19H32O8 388.209718 NA MeJP NA NA +MJ052360 Ilomastat C20H28N4O4 388.211055 NA MeJP NA NA +PJ000778 ALW C20H28N4O4 388.2111 NA PeJP NA NA +MJ052361 Cinperene C25H28N2O2 388.215078 NA MeJP NA NA +MJ052362 Kalihinol C; 10-Isothiocyanate C22H32N2O2S 388.218448 NA MeJP NA NA +MJ052363 Kalihinol K; 5-Isothiocyanate C22H32N2O2S 388.218448 NA MeJP NA NA +MJ052364 Bengamide Z C18H32N2O7 388.220951 NA MeJP NA NA +MJ052365 1(10),4-Germacradiene-6,8-diol, 8-(4-Hydroxy-3-methoxybenzoyl) C23H32O5 388.224974 NA MeJP NA NA +MJ052366 1,3,14-Trihydroxycarda-4,20(22)-dienolide C23H32O5 388.224974 NA MeJP NA NA +MJ052367 1,9,15-Heptadecatriene-11,13-diyn-8-ol, ?-L-Rhamnopyranoside C23H32O5 388.224974 NA MeJP NA NA +MJ052368 11,12-Epoxy-3,14-dihydroxycard-20(22)-enolide C23H32O5 388.224974 NA MeJP NA NA +MJ052369 11,12-Epoxy-7-drimene-6,9,11-triol, 6-O-(2E,4E,6E-Octatrienoyl) C23H32O5 388.224974 NA MeJP NA NA +MJ052370 15,16-Epoxy-3,13(16),14-clerodatrien-18-ol, 18-Malonyl C23H32O5 388.224974 NA MeJP NA NA +MJ052371 2,2',4',6'-Tetrahydroxy-3'-prenylacetophenone; 4'-O-(3,7-Dimethyl-2,6-octadienyl) C23H32O5 388.224974 NA MeJP NA NA +MJ052372 2,6-Humuladiene-1,4-diol, 1-(4-Hydroxy-3-methoxybenzoyl) C23H32O5 388.224974 NA MeJP NA NA +MJ052373 2,6-Humuladiene-1,4-diol, 4-(4-Hydroxy-3-methoxybenzoyl) C23H32O5 388.224974 NA MeJP NA NA +MJ052374 2-Himachalene-4,7-diol, 4-(3-Hydroxy-4-methoxybenzoyl) C23H32O5 388.224974 NA MeJP NA NA +MJ052375 3,14,19-Trihydroxycarda-5,20(22)-dienolide C23H32O5 388.224974 NA MeJP NA NA +MJ052376 3,14-Dihydroxy-11-oxocard-20(22)-enolide C23H32O5 388.224974 NA MeJP NA NA +MJ052377 3,14-Dihydroxy-19-oxocard-20(22)-enolide C23H32O5 388.224974 NA MeJP NA NA +MJ052378 3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, 3-(5-Acetoxy-4-methyl-2Z-pentenoyl) C23H32O5 388.224974 NA MeJP NA NA +MJ052379 3-Hydroxy-9,11-eremophiladien-8-one, 3-O-(5-Acetoxy-4-methyl-2Z-pentenoyl) C23H32O5 388.224974 NA MeJP NA NA +MJ052380 6-(3,7-Dimethyl-2,6-octadienyl)-3,4-dihydro-3,5,7-trihydroxy-2,2-dimethyl-2H-1-benzopyran, 5-Ac C23H32O5 388.224974 NA MeJP NA NA +MJ052381 7-Daucene-4,6,9-triol, 6-(4-Methoxybenzoyl) C23H32O5 388.224974 NA MeJP NA NA +MJ052382 8,11,13-Abietatriene-1,18-diol; 1?-form, 18-Malonoyl C23H32O5 388.224974 NA MeJP NA NA +MJ052383 8,9-Epoxy-4,6-daucanediol, 6-(4-Methoxybenzoyl) C23H32O5 388.224974 NA MeJP NA NA +MJ052384 8-Daucene-2,4,6-triol, 6-(4-Methoxybenzoyl) C23H32O5 388.224974 NA MeJP NA NA +MJ052385 8-Daucene-4,6,10-triol, 6-(4-Methoxybenzoyl) C23H32O5 388.224974 NA MeJP NA NA +MJ052386 8-Daucene-4,6,14-triol, 6-(4-Methoxybenzoyl) C23H32O5 388.224974 NA MeJP NA NA +MJ052387 8-Daucene-4,6-diol, 6-(3-Hydroxy-4-methoxybenzoyl) C23H32O5 388.224974 NA MeJP NA NA +MJ052388 8-Daucene-4,6-diol, 6-(4-Hydroxy-3-methoxybenzoyl) C23H32O5 388.224974 NA MeJP NA NA +MJ052389 Dactylosponol; 19,20-Dihydroxy C23H32O5 388.224974 NA MeJP NA NA +MJ052390 Periforgenin A C23H32O5 388.224974 NA MeJP NA NA +MJ052391 Shikoccin; 7-Me ether C23H32O5 388.224974 NA MeJP NA NA +MJ052392 Siphonodictyoic acid; Me ester, 19-hydroxy C23H32O5 388.224974 NA MeJP NA NA +MJ052393 Stachybotrydial; 7'-Alcohol C23H32O5 388.224974 NA MeJP NA NA +C14675 11beta,21-Dihydroxypregn-4-ene-3,20-dione 21-acetate C23H32O5 388.225 NA KEGG NA NA +C15284 6beta,17beta-Dihydroxyandrost-4-en-3-one diacetate C23H32O5 388.225 NA KEGG NA NA +C15372 11alpha,17beta-Dihydroxyandrost-4-en-3-one diacetate C23H32O5 388.225 NA KEGG NA NA +PJ000779 LKE C17H32N4O6 388.2322 NA PeJP NA NA +PJ000780 TLR C16H32N6O5 388.2434 NA PeJP NA NA +HMDB12109 5,6-Dihydroxyprostaglandin F1a C20H36O7 388.246094 NA HMDB2010 NA NA +MJ052394 Norcaperatic acid C20H36O7 388.246103 NA MeJP NA NA +MJ052395 Caracasanamide C21H32N4O3 388.24744 NA MeJP NA NA +MJ052396 Propyperone C23H33FN2O2 388.252606 NA MeJP NA NA +MJ052397 1,3,8(19),11-Cembratetraene-7,14-diol, Di-Ac C24H36O4 388.261359 NA MeJP NA NA +MJ052398 13,17-Spatadiene-5,16-diol, Di-Ac C24H36O4 388.261359 NA MeJP NA NA +MJ052399 13-Hydroxy-16-atisen-19-oic acid, 2-Methylpropanoyl C24H36O4 388.261359 NA MeJP NA NA +MJ052400 15,16-Diacetoxy-7,13(16),14-labdatriene C24H36O4 388.261359 NA MeJP NA NA +MJ052401 15,16-Diacetoxy-9,10-seco-1(10),8,13(16),14-labdatetraene C24H36O4 388.261359 NA MeJP NA NA +MJ052402 15-Hydroxy-16-kauren-19-oic acid, 2-Methylpropanoyl C24H36O4 388.261359 NA MeJP NA NA +MJ052403 16-Kaurene-18,19-diol; ent-form, Di-Ac C24H36O4 388.261359 NA MeJP NA NA +MJ052404 2,3-Dihydro-5,7-dihydroxy-2-pentadecylidene-4H-1-benzopyran-4-one C24H36O4 388.261359 NA MeJP NA NA +MJ052405 2,6,10,14-Phytatetraene-1,16-diol, 16-Aldehyde, 1-O-(3-hydroxy-2-methyl-2-propenoyl)(Z-) C24H36O4 388.261359 NA MeJP NA NA +MJ052406 2-Alkyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 5,7-Dihydroxy-6,8-dimethyl-2-tridecyl-4H-1-benzopyran-4-one C24H36O4 388.261359 NA MeJP NA NA +MJ052407 2-Heptadecyl-6-hydroxybenzoic acid; 4-Hydroxy, 8',9',11',12'-tetradehydro(Z,Z-) C24H36O4 388.261359 NA MeJP NA NA +MJ052408 2-[4-(1-Hydroxyhexyl)phenyl]-5-oxocyclopentaneheptanoic acid C24H36O4 388.261359 NA MeJP NA NA +MJ052409 3,16-Dihydroxy-22,23,24,25,26,27-hexanorcurcurbit-5-ene-11,20-dione C24H36O4 388.261359 NA MeJP NA NA +MJ052410 5,7-Dihydroxy-2-pentadecyl-4H-1-benzopyran-4-one C24H36O4 388.261359 NA MeJP NA NA +MJ052411 6,13-Epoxy-4(18),8(19)-eunicelladiene-9,12-diol, 9-Ketone, 12-butanoyl C24H36O4 388.261359 NA MeJP NA NA +MJ052412 7,12,14-Labdatriene-6,17-diol, 6,17-Di-Ac C24H36O4 388.261359 NA MeJP NA NA +MJ052413 7,15-Pimaradiene-2,18-diol, Di-Ac C24H36O4 388.261359 NA MeJP NA NA +MJ052414 7,18-Trachylobanediol, Di-Ac C24H36O4 388.261359 NA MeJP NA NA +MJ052415 8(14),15-Isopimaradiene-1,11-diol, Di-Ac C24H36O4 388.261359 NA MeJP NA NA +MJ052416 Amphidinolide J; 9-Ketone C24H36O4 388.261359 NA MeJP NA NA +MJ052417 Hexahydro-4-methoxy-4a-(3,7,11-trimethyl-2,6,10-dodecatrienyl)cyclopenta[b]pyran-2,6-dione C24H36O4 388.261359 NA MeJP NA NA +MJ052418 Homoancepsenolide; 7'',8''-Didehydro (Z-) C24H36O4 388.261359 NA MeJP NA NA +MJ052419 Javeroic acid C24H36O4 388.261359 NA MeJP NA NA +MJ052420 Plakortolide E C24H36O4 388.261359 NA MeJP NA NA +MJ052421 Soulattrone A C24H36O4 388.261359 NA MeJP NA NA +C15422 2alpha-Methyl-17beta-[(tetrahydro-2H-pyran-2-yl)oxy]-5alpha- C25H40O3 388.2977 NA KEGG NA NA +MJ052422 15-Rosene-5,19-diol, 19-Tigloyl C25H40O3 388.297745 NA MeJP NA NA +MJ052423 2-Heptadecyl-6-hydroxybenzoic acid; 10',11'-Didehydro, Me ester C25H40O3 388.297745 NA MeJP NA NA +MJ052424 24,25-Epoxy-16-scalarene-12,25-diol C25H40O3 388.297745 NA MeJP NA NA +MJ052425 3-(1,1-Dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-6H-dibenzo[b,d]pyran-9-methanol C25H40O3 388.297745 NA MeJP NA NA +MJ052426 3-(4-Hydroxyphenyl)-2-propenoic acid, Hexadecyl ester C25H40O3 388.297745 NA MeJP NA NA +MJ052427 4,6,8,10,12,14,16-Heptamethyl-6,8,11-octadecatriene-3,5,13-trione C25H40O3 388.297745 NA MeJP NA NA +MJ052428 7,15-Pimaradiene-2,18-diol, 18-(3-Methylbutanoyl) C25H40O3 388.297745 NA MeJP NA NA +MJ052429 8(17),14-Labdadiene-13,18-diol, 18-Tigloyl C25H40O3 388.297745 NA MeJP NA NA +MJ052430 Cladosporide A C25H40O3 388.297745 NA MeJP NA NA +MJ052431 Kobiin C25H40O3 388.297745 NA MeJP NA NA +MJ052432 Nitidasin C25H40O3 388.297745 NA MeJP NA NA +MJ052433 Raspailol B C25H40O3 388.297745 NA MeJP NA NA +MJ052434 3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxy-12-methyltetradecanoyl) C24H40N2O2 388.308978 NA MeJP NA NA +MJ052435 3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxy-13-methyltetradecanoyl) C24H40N2O2 388.308978 NA MeJP NA NA +MJ052436 1-Heptadecene-4,6,8,10,12-pentol, Penta-Me ether C22H44O5 388.318874 NA MeJP NA NA +MJ052437 1-Phenyl-1,3-eicosanedione; 3-Alcohol C26H44O2 388.33413 NA MeJP NA NA +MJ052438 2-Methyl-5-(14-nonadecenyl)-1,3-benzenediol C26H44O2 388.33413 NA MeJP NA NA +MJ052439 24-Methyl-16-pentacosene-2,4-diyne-1,6-diol C26H44O2 388.33413 NA MeJP NA NA +HMDB00248 Thyroxine C15H11I4NO4 388.3433535 MH2+ Inhouse_peptide NA peptide +MJ052440 17-[[3-(Dimethylamino)propyl]methylamino]androst-5-en-3-ol C25H44N2O 388.345364 NA MeJP NA NA +MJ052441 3,20-Diaminopregn-5-en-18-ol, N3,N3,N20,N20-Tetra-Me C25H44N2O 388.345364 NA MeJP NA NA +MJ052442 Chonemorphine; N-Ac C25H44N2O 388.345364 NA MeJP NA NA +MJ052443 Pachysandra Base XI C25H44N2O 388.345364 NA MeJP NA NA +MJ052444 Pregnane-3,20-diamine, N3,N20-Di-Me, N20-Ac C25H44N2O 388.345364 NA MeJP NA NA +C12978 Epidihydrocholesterin C27H48O 388.3705 NA KEGG NA NA +HMDB00908 Cholestanol C27H48O 388.37051 http://www.hmdb.ca/metabolites/HMDB00908 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00577 Coprosterol C27H48O 388.37051 http://www.hmdb.ca/metabolites/HMDB00577 HMDB NA NA +HMDB00908 Cholestanol C27H48O 388.37051 http://www.hmdb.ca/metabolites/HMDB00908 HMDB NA NA +HMDB01569 5b-Cholestanol C27H48O 388.37051 http://www.hmdb.ca/metabolites/HMDB01569 HMDB NA NA +HMDB00908 Cholestanol C27H48O 388.37051 http://www.hmdb.ca/metabolites/HMDB00908 PFEM_hmdb_metabocards_blood NA blood +HMDB00577 Coprosterol C27H48O 388.37051 HMDB00577 PFEM_hmdb_metabocards_official NA NA +HMDB00908 Cholestanol C27H48O 388.37051 HMDB00908 PFEM_hmdb_metabocards_official NA NA +HMDB01569 5b-Cholestanol C27H48O 388.37051 HMDB01569 PFEM_hmdb_metabocards_official NA NA +HMDB00577 5beta-Coprostanol C27H48O 388.370514 NA HMDB2010 NA NA +HMDB00908 5alpha-Cholestanol C27H48O 388.370514 NA HMDB2010 NA NA +HMDB01569 Epi-coprostanol C27H48O 388.370514 NA HMDB2010 NA NA +MJ052445 19-Norergostan-3-ol C27H48O 388.370516 NA MeJP NA NA +MJ052446 3-Hydroxymethyl-A-norcholestane C27H48O 388.370516 NA MeJP NA NA +MJ052447 Cholestan-3-ol C27H48O 388.370516 NA MeJP NA NA +MetaCyc03329 cholestanol [] C27H48O1 388.370516 NA metacyc NA NA +2663 synthetic fr, of human beta-CN (137-143) ACE inhibitor QVPQPIP 388.712 MH2+ Inhouse_peptide NA peptide +MJ052448 Cyclothiazide C14H16ClN3O4S2 389.027075 NA MeJP NA NA +C12685 Cyclothiazide C14H16ClN3O4S2 389.0271 NA KEGG NA NA +C12686 Transferred to D01257 C14H16ClN3O4S2 389.0271 NA KEGG NA NA +C12687 Transferred to D01258 C14H16ClN3O4S2 389.0271 NA KEGG NA NA +C12688 Transferred to D01259 C14H16ClN3O4S2 389.0271 NA KEGG NA NA +C12689 Transferred to D01260 C14H16ClN3O4S2 389.0271 NA KEGG NA NA +C12690 Transferred to D01261 C14H16ClN3O4S2 389.0271 NA KEGG NA NA +MJ052449 2-(3-Alkyl-5-chloro-2,6-dihydroxybenzoyl)-4,5-dichloro-1H-pyrrole; 2-(3-Chloro-5-hexyl-2,6-dihydroxybenzoyl)-4,5-dichloro-1H-pyrrole C17H18Cl3NO3 389.035226 NA MeJP NA NA +MJ052450 2-(3-Alkyl-5-chloro-2,6-dihydroxybenzoyl)-4,5-dichloro-1H-pyrrole; 2-[3-Chloro-2,6-dihydroxy-5-(4-methylpentyl)benzoyl]-4,5-dichloro-1H-pyrrole C17H18Cl3NO3 389.035226 NA MeJP NA NA +C08425 Progoitrin C11H19NO10S2 389.045 NA KEGG NA NA +MJ052451 Progoitrin C11H19NO10S2 389.045037 NA MeJP NA NA +MJ052452 Arcyriaverdin C C20H11N3O6 389.064785 NA MeJP NA NA +HMDB04381 N-Acetylneuraminic acid 9-phosphate C11H20NO12P 389.0723 http://www.hmdb.ca/metabolites/HMDB04381 HMDB NA NA +HMDB06268 N-Acetylneuraminate 9-phosphate C11H20NO12P 389.0723 http://www.hmdb.ca/metabolites/HMDB06268 HMDB NA NA +C06241 N-Acetylneuraminate 9-phosphate C11H20NO12P 389.0723 NA KEGG NA NA +HMDB04381 N-Acetylneuraminic acid 9-phosphate C11H20NO12P 389.0723 HMDB04381 PFEM_hmdb_metabocards_official NA NA +HMDB06268 N-Acetylneuraminate 9-phosphate C11H20NO12P 389.0723 HMDB06268 PFEM_hmdb_metabocards_official NA NA +MetaCyc03330 N-acetylneuraminate-9-phosphate [N-acetylneuraminate-9-P;] C11H20N1O12P1 389.072312 NA metacyc NA NA +HMDB04381 N-Acetylneuraminic acid 9-phosphate C11H20NO12P 389.072327 NA HMDB2010 NA NA +HMDB06268 N-Acetylneuraminate 9-phosphate C11H20NO12P 389.072327 NA HMDB2010 NA NA +C05993 Acetyl adenylate C12H16N5O8P 389.0736 NA KEGG NA NA +HMDB06880 Acetyl adenylate C12H16N5O8P 389.073639 NA HMDB2010 NA NA +HMDB06880 Acetyl adenylate C12H16N5O8P 389.07364 http://www.hmdb.ca/metabolites/HMDB06880 HMDB NA NA +HMDB06880 Acetyl adenylate C12H16N5O8P 389.07364 HMDB06880 PFEM_hmdb_metabocards_official NA NA +MJ052453 Acetyl adenylate C12H16N5O8P 389.073649 NA MeJP NA NA +MetaCyc03331 acetyl AMP [acetyladenylate;] C12H16N5O8P1 389.073649 13015-87-7 metacyc NA NA +C17257 2-Methylbutyl glucosinolate C12H23NO9S2 389.0814 NA KEGG NA NA +MJ052454 2-Methylbutyl glucosinolate C12H23NO9S2 389.081422 NA MeJP NA NA +MJ052455 3-Methylbutyl glucosinolate C12H23NO9S2 389.081422 NA MeJP NA NA +MJ052456 Pentyl glucosinolate C12H23NO9S2 389.081422 NA MeJP NA NA +MJ052457 Noelaquinone C21H15N3O5 389.10117 NA MeJP NA NA +MJ052458 Azamethonium(2+); Dibromide C13H33Br2N3 389.104123 NA MeJP NA NA +C06888 Cefprozil C18H19N3O5S 389.1045 NA KEGG NA NA +MJ052459 Antibiotic BMY 28100 C18H19N3O5S 389.104541 NA MeJP NA NA +MJ052460 Cefprozil C18H19N3O5S 389.104541 NA MeJP NA NA +MJ052461 Siltenzepine C19H20ClN3O4 389.114233 NA MeJP NA NA +PJ000781 CMH C14H23N5O4S2 389.1192 NA PeJP NA NA +MJ052462 6-[3-(Methylamino)propyl]-4-(3-thienyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione C22H19N3O2S 389.119797 NA MeJP NA NA +C12201 (+/-)-6-Acetonyldihydrosanguinarine C23H19NO5 389.1263 NA KEGG NA NA +MJ052463 8-Acetonyldihydronitidine; 10,11-Di-O-de-Me, 10,11-methylene ether C23H19NO5 389.126322 NA MeJP NA NA +MJ052464 8-Acetonyldihydrosanguinarine C23H19NO5 389.126322 NA MeJP NA NA +PJ000782 GPCN C14H23N5O6S 389.1369 NA PeJP NA NA +MJ052465 Euxylophorine; 10-Methoxy, 7,8-didehydro C22H19N3O4 389.137556 NA MeJP NA NA +MJ052466 Tadalafil C22H19N3O4 389.137556 NA MeJP NA NA +C11729 Hetacillin C19H23N3O4S 389.1409 NA KEGG NA NA +MJ052467 Hetacillin C19H23N3O4S 389.140926 NA MeJP NA NA +MJ052468 Orotirelin C16H19N7O5 389.144766 NA MeJP NA NA +MJ052469 Ambelline; 1?,2?-Epoxide, Ac C20H23NO7 389.147452 NA MeJP NA NA +MJ052470 Antibiotic AI 77F C20H23NO7 389.147452 NA MeJP NA NA +MJ052471 Macranthine; Di-O-Ac C20H23NO7 389.147452 NA MeJP NA NA +MJ052472 Pterophorine C20H23NO7 389.147452 NA MeJP NA NA +MJ052473 Senaetnine C20H23NO7 389.147452 NA MeJP NA NA +C10386 Senaetnine C20H23NO7 389.1475 NA KEGG NA NA +MJ052474 Gemifloxacin C18H20FN5O4 389.149932 NA MeJP NA NA +PJ000783 NQE C14H23N5O8 389.1547 NA PeJP NA NA +MJ052475 Anhydrodehydrotylophorinidine; Me ether, 2-methoxy C24H24NO4(+) 389.162708 NA MeJP NA NA +3296 NA HHP 389.168 celiac toxic Inhouse_peptide NA peptide +3300 NA PHH 389.168 celiac toxic Inhouse_peptide NA peptide +3311 NA HPH 389.168 celiac toxic Inhouse_peptide NA peptide +PJ000784 GQW C18H23N5O5 389.1699 NA PeJP NA NA +MJ052476 Reproterol C18H23N5O5 389.169918 NA MeJP NA NA +MJ052477 1-[1-Oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propenyl]-2-piperidineacetic acid C23H23N3O3 389.173941 NA MeJP NA NA +MJ052478 Cynodine C23H23N3O3 389.173941 NA MeJP NA NA +MJ052479 Isocynometrine, Benzoyl C23H23N3O3 389.173941 NA MeJP NA NA +MJ052480 Balofloxacin C20H24FN3O4 389.175084 NA MeJP NA NA +C13906 Balofloxacin C20H24FN3O4 389.1751 NA KEGG NA NA +PJ000785 LEE C16H27N3O8 389.1798 NA PeJP NA NA +PJ000786 PHH C17H23N7O4 389.1812 NA PeJP NA NA +MJ052481 8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-(2-Hydroxy-3-phenylpropanoyl), 6-tigloyl, N-de-Me C21H27NO6 389.183837 NA MeJP NA NA +MJ052482 Alanolide C21H27NO6 389.183837 NA MeJP NA NA +MJ052483 Epolactaene C21H27NO6 389.183837 NA MeJP NA NA +MJ052484 Stephamiersine C21H27NO6 389.183837 NA MeJP NA NA +MJ052485 Tridictyophylline C21H27NO6 389.183837 NA MeJP NA NA +MJ052486 Roquefortine C22H23N5O2 389.185175 NA MeJP NA NA +PJ000787 NKE C15H27N5O7 389.1911 NA PeJP NA NA +MJ052487 Sintropium(1+); Bromide C19H36BrNO2 389.192942 NA MeJP NA NA +MJ052488 3,4,13-Trihydroxylupanine, 13-O-(2-Pyrrolecarboxylate) C20H27N3O5 389.19507 NA MeJP NA NA +MJ052489 Cilazaprilat C20H27N3O5 389.19507 NA MeJP NA NA +C17309 Cilazaprilat C20H27N3O5 389.1951 NA KEGG NA NA +C17322 tRNA containing 2-thiouridine C9H13N2O8PS 389.1951 NA KEGG NA NA +C17323 tRNA containing 5-carboxymethylaminomethyl-2-thiouridine C12H18N3O10PS 389.1951 NA KEGG NA NA +C17324 tRNA adenine C10H14N5O7P 389.1951 NA KEGG NA NA +C17325 tRNA cytosine C9H14N3O8P 389.1951 NA KEGG NA NA +MJ052490 Dioncophylline A; 1,2-Didehydro, Me ether C25H27NO3 389.199093 NA MeJP NA NA +PJ000788 SQR C14H27N7O6 389.2023 NA PeJP NA NA +PJ000789 GKW C19H27N5O4 389.2063 NA PeJP NA NA +MJ052491 Alfuzosin C19H27N5O4 389.206304 NA MeJP NA NA +MJ052492 Isoechinulin A; 3e,3h-Didehydro C24H27N3O2 389.210327 NA MeJP NA NA +MJ052493 Neoechinulin D; 3e,3h-Didehydro C24H27N3O2 389.210327 NA MeJP NA NA +MJ052494 Athrocupressine; Me ether, 2?-methoxy C22H31NO5 389.220223 NA MeJP NA NA +MJ052495 Cephalofortuneine; 2-Epimer, 2-Et ether C22H31NO5 389.220223 NA MeJP NA NA +MJ052496 Cephalofortuneine; 2-Et ether C22H31NO5 389.220223 NA MeJP NA NA +MJ052497 Hatomamicin C22H31NO5 389.220223 NA MeJP NA NA +MJ052498 Oxotuberostemonine C22H31NO5 389.220223 NA MeJP NA NA +MJ052499 Stemoninine C22H31NO5 389.220223 NA MeJP NA NA +MJ052500 Tuberostemonine; 1,9a-Didehydro, 9-hydroxy C22H31NO5 389.220223 NA MeJP NA NA +PJ000790 DKK C16H31N5O6 389.2274 NA PeJP NA NA +PJ000791 AATK C16H31N5O6 389.2275 NA PeJP NA NA +PJ000792 SKR C15H31N7O5 389.2387 NA PeJP NA NA +MJ052501 Phenylalaninylarginal; N2-(3-Methylbutanoyl) C20H31N5O3 389.242689 NA MeJP NA NA +MJ052502 Albovionitine C23H35NO4 389.256608 NA MeJP NA NA +MJ052503 Eliamide C23H35NO4 389.256608 NA MeJP NA NA +MJ052504 Yuzurine; 9,22-Didehydro, O-de-Me C23H35NO4 389.256608 NA MeJP NA NA +C17710 Sannamycin A C17H35N5O5 389.2638 NA KEGG NA NA +C17991 Istamycin B C17H35N5O5 389.2638 NA KEGG NA NA +MJ052505 Antibiotic Y 03873J-A; N2-De-Ac, N5-(aminoacetyl) C17H35N5O5 389.263819 NA MeJP NA NA +MJ052506 Istamycin A C17H35N5O5 389.263819 NA MeJP NA NA +MJ052507 Sporaricin A C17H35N5O5 389.263819 NA MeJP NA NA +MJ052508 2-Amino-3,4,5,14-tetrahydroxy-6-eicosenoic acid C20H39NO6 389.277737 NA MeJP NA NA +MJ052509 Het389 C21H35N5O2 389.279075 NA MeJP NA NA +MJ052510 Samandinine C24H39NO3 389.292994 NA MeJP NA NA +MJ052511 2,4,10-Docosatrienoic isobutylamide C26H47NO 389.365765 NA MeJP NA NA +MJ052512 3-Alkyl-1H-pyrrole-2-carboxaldehyde; 3-Heneicosyl-1H-pyrrole-2-carboxaldehyde C26H47NO 389.365765 NA MeJP NA NA +3498 ACE inhibitor from b-casein (169-175) KVLPVPQ 389.738 MH2+ Inhouse_peptide NA peptide +7877 peptide derived from bovine b-casein (170-176) VLPVPQK 389.738 MH2+ Inhouse_peptide NA peptide +MJ052513 Calcium iodate(V) (Ca(IO3)2) CaI2O6 389.741015 NA MeJP NA NA +MJ052514 Bromocyclen C8H5BrCl6 389.770579 NA MeJP NA NA +MJ052515 Mercaptobutanedioato(1-)gold; Di-Na salt C4H3AuNa2O4S 389.921295 NA MeJP NA NA +MJ052516 2,4,7-Trichloro-3,5,6,8-tetrahydroxy-1-methylxanthone; 5-Me ether C15H9Cl3O6 389.946471 NA MeJP NA NA +C00119 5-Phospho-alpha-D-ribose 1-diphosphate C5H13O14P3 389.9518 NA KEGG NA NA +C02884 Ribose triphosphate C5H13O14P3 389.9518 NA KEGG NA NA +C02885 S-Alkyl thiosulfate HS2O3R 389.9518 NA KEGG NA NA +HMDB00280 Phosphoribosyl pyrophosphate C5H13O14P3 389.95181 http://www.hmdb.ca/metabolites/HMDB00280 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00280 Phosphoribosyl pyrophosphate C5H13O14P3 389.95181 http://www.hmdb.ca/metabolites/HMDB00280 HMDB NA NA +HMDB00280 Phosphoribosyl pyrophosphate C5H13O14P3 389.95181 http://www.hmdb.ca/metabolites/HMDB00280 PFEM_hmdb_metabocards_blood NA blood +HMDB00280 Phosphoribosyl pyrophosphate C5H13O14P3 389.95181 HMDB00280 PFEM_hmdb_metabocards_official NA NA +HMDB00280 Phosphoribosyl pyrophosphate C5H13O14P3 389.951813 NA HMDB2010 NA NA +MJ052517 5-Phospho-alpha-D-ribose 1-diphosphate C5H13O14P3 389.951814 NA MeJP NA NA +MetaCyc03332 5-phosphoribosyl 1-pyrophosphate [PRPP;5-phospho-α-D-ribose 1-diphosphate;5-phosphoribosyl diphosphate;5-phosphoribosyl-1-PP;5-phosphoribosyl-PP;5-phosphoribosyl-1-pyrophosphate;5-phosphoribosylpyrophosphate;phosphoribosylpyrophosphate;5-phospho-ribosyl-pyrophosphate;α-D-5-phosphoribosylPP;α-D-5-P-RibosylPP;5-phospho-α-D-ribose-1-diphosphate;] C5H13O14P3 389.951815 13270-65-0 metacyc NA NA +MJ052518 10,12-Dibromo-6,9:7,13-diepoxy-3-pentadecen-1-yne C15H20Br2O2 389.983005 NA MeJP NA NA +MJ052519 10-Bromo-7,8-epoxy-2,9-chamigradiene-5,15-diol; 15-Deoxy, 4-bromo C15H20Br2O2 389.983005 NA MeJP NA NA +MJ052520 2,10-Dibromo-5,10-epoxy-2,8-chamigradien-7-ol C15H20Br2O2 389.983005 NA MeJP NA NA +MJ052521 Elatenyne C15H20Br2O2 389.983005 NA MeJP NA NA +MJ052522 Isolaurallene C15H20Br2O2 389.983005 NA MeJP NA NA +MJ052523 Isolaureatin C15H20Br2O2 389.983005 NA MeJP NA NA +MJ052524 Isoprelaurefucin C15H20Br2O2 389.983005 NA MeJP NA NA +MJ052525 Kumausallene C15H20Br2O2 389.983005 NA MeJP NA NA +MJ052526 Laurallene C15H20Br2O2 389.983005 NA MeJP NA NA +MJ052527 Laureacetal D C15H20Br2O2 389.983005 NA MeJP NA NA +MJ052528 Laureatin C15H20Br2O2 389.983005 NA MeJP NA NA +MJ052529 Laureepoxide C15H20Br2O2 389.983005 NA MeJP NA NA +MJ052530 Laureoxanyne C15H20Br2O2 389.983005 NA MeJP NA NA +MJ052531 Laurobtusin C15H20Br2O2 389.983005 NA MeJP NA NA +MJ052532 Lauroxane C15H20Br2O2 389.983005 NA MeJP NA NA +MJ052533 Gliotoxin G C13H14N2O4S4 389.983639 NA MeJP NA NA +MJ052534 Ponalrestat C17H12BrFN2O3 390.001533 NA MeJP NA NA +MJ052535 Letrazuril C17H9Cl2FN4O2 390.008659 NA MeJP NA NA +MJ052536 Antibiotic TAN 2421A1; Bisdechloro C18H14O8S 390.040938 NA MeJP NA NA +MJ052537 Dysamide A; 3',3''-Didechloro C14H22Cl4N2O2 390.043538 NA MeJP NA NA +HMDB06953 1-Phosphatidyl-D-myo-inositol C11H19O13P 390.056335 NA HMDB2010 NA NA +MJ052538 Barbatolic acid C18H14O10 390.058696 NA MeJP NA NA +MJ052539 Consalazinic acid C18H14O10 390.058696 NA MeJP NA NA +MJ052540 Coruleoellagic acid; 2,3,6,8-Tetra-Me ether C18H14O10 390.058696 NA MeJP NA NA +MJ052541 Pseudotrifuhalol A C18H14O10 390.058696 NA MeJP NA NA +MJ052542 Trifuhalol A C18H14O10 390.058696 NA MeJP NA NA +MJ052543 Trifuhalol B C18H14O10 390.058696 NA MeJP NA NA +MJ052544 Triisofuhalol C18H14O10 390.058696 NA MeJP NA NA +MJ052545 12(11?10)-Abeo-4-bromo-3-chloro-7,8-epoxy-11(13)-chamigren-1-ol; Ac C17H24BrClO3 390.059734 NA MeJP NA NA +MJ052546 1,4,5,7-Tetrahydroxy-2-methylanthraquinone; 1-Benzoyl C22H14O7 390.073952 NA MeJP NA NA +MJ052547 3-O-3'-Bidroserone C22H14O7 390.073952 NA MeJP NA NA +MJ052548 Antibiotic SF 2330 C22H14O7 390.073952 NA MeJP NA NA +MJ052549 Batocanone C22H14O7 390.073952 NA MeJP NA NA +MJ052550 Cnidimarin C22H14O7 390.073952 NA MeJP NA NA +MJ052551 Diospyrin; 8'-Hydroxy C22H14O7 390.073952 NA MeJP NA NA +MJ052552 Diosquinone C22H14O7 390.073952 NA MeJP NA NA +MJ052553 Euclanone C22H14O7 390.073952 NA MeJP NA NA +MJ052554 Hydroxyisodiospyrin; (R)axial-form C22H14O7 390.073952 NA MeJP NA NA +MJ052555 Hydroxyisodiospyrin C22H14O7 390.073952 NA MeJP NA NA +MJ052556 Hypoxyxylerone C22H14O7 390.073952 NA MeJP NA NA +MJ052557 Isobatocanone C22H14O7 390.073952 NA MeJP NA NA +MJ052558 Spiromentin D C22H14O7 390.073952 NA MeJP NA NA +MJ052559 Permethrin, ANSI C21H20Cl2O3 390.078949 NA MeJP NA NA +C14388 Permethrin C21H20Cl2O3 390.079 NA KEGG NA NA +MJ052560 Galactaric acid; 2-O-(3,4,5-Trihydroxybenzoyl), di-Me ester C15H18O12 390.079826 NA MeJP NA NA +MJ052561 Cefaloram C18H18N2O6S 390.088557 NA MeJP NA NA +FL3FGGNS0001 Gardenin E;3',5,5'-Trihydroxy-4',6,7,8-tetramethoxyflavone;2-(3,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one C19H18O9 390.09508 29550-07-0 knapsack NA NA +FL3FGGNS0002 Scaposin C19H18O9 390.09508 18398-74-8 knapsack NA NA +FL3FGLNS0002 Agecorynin D;2-(2,4-Dihydroxy-5-methoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one C19H18O9 390.09508 77053-48-6 knapsack NA NA +FL5FEGNS0007 5,3',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone C19H18O9 390.09508 58840-32-7 knapsack NA NA +FL5FEGNS0008 5,7,4'-Trihydroxy-3,6,3',5'-tetramethoxyflavone C19H18O9 390.09508 63296-16-2 knapsack NA NA +FL5FEGNS0009 5,7,3'-Trihydroxy-3,6,4',5'-tetramethoxyflavone C19H18O9 390.09508 30250-30-7 knapsack NA NA +FL5FEGNS0010 Apuleitrin C19H18O9 390.09508 34211-16-0 knapsack NA NA +FL5FEGNS0011 3,5,3'-Trihydroxy-6,7,4',5'-tetramethoxyflavone C19H18O9 390.09508 139889-55-7 knapsack NA NA +FL5FELNS0007 5-O-Demethylapulein C19H18O9 390.09508 20398-48-5 knapsack NA NA +FL5FELNS0008 5,7,5'-Trihydroxy-3,6,2',4'-tetramethoxyflavone;5,7-Dihydroxy-2-(5-hydroxy-2,4-dimethoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one C19H18O9 390.09508 156973-13-6 knapsack NA NA +FL5FELNS0009 5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone C19H18O9 390.09508 100363-93-7 knapsack NA NA +FL5FELNS0010 5,6,5'-Trihydroxy-3,7,2',4'-tetramethoxyflavone C19H18O9 390.09508 80496-65-7 knapsack NA NA +FL5FFGNS0004 Hibiscetin 3,7,8,4'-tetramethyl ether C19H18O9 390.09508 71149-60-5 knapsack NA NA +FL5FFGNS0005 Hibiscetin 3,8,3',4'-tetramethyl ether C19H18O9 390.09508 21634-47-9 knapsack NA NA +FL5FFLNS0006 5,2',4'-Trihydroxy-3,7,8,5'-tetramethoxyflavone C19H18O9 390.09508 103462-30-2 knapsack NA NA +FL5FGCNS0008 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone;5,4',5'-Trihydroxy-3,6,7,8-tetramethoxyflavone;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one C19H18O9 390.09508 81943-52-4 knapsack NA NA +FL5FGCNS0009 5,7,4'-Trihydroxy-3,6,8,3'-tetramethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-trimethoxy-4H-1-benzopyran-4-one C19H18O9 390.09508 58130-91-9 knapsack NA NA +FL5FGCNS0010 5,7,3'-Trihydroxy-3,6,8,4'-tetramethoxyflavone C19H18O9 390.09508 99816-53-2 knapsack NA NA +FL5FGCNS0011 5,6,3'-Trihydroxy-3,7,8,4'-tetramethoxyflavone C19H18O9 390.09508 142846-75-1 knapsack NA NA +FL5FGCNS0012 3,5,4'-Trihydroxy-6,7,8,3'-tetramethoxyflavone;3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one C19H18O9 390.09508 113757-62-3 knapsack NA NA +FL5FGCNS0013 3,5,3'-Trihydroxy-6,7,8,4'-tetramethoxyflavone C19H18O9 390.09508 158437-62-8 knapsack NA NA +FL5FGCNS0026 3,5,8-Trihydroxy-6,7,3',4'-tetramethoxyflavone;2-(3,4-Dimethoxyphenyl)-3,5,8-trihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one C19H18O9 390.09508 220603-94-1 knapsack NA NA +FL5FGLNS0001 5,2',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone C19H18O9 390.09508 70368-15-9 knapsack NA NA +FLIFHXNS0002 Clitoriacetal C19H18O9 390.09508 64461-44-5 knapsack NA NA +MJ052562 1,7-Dihydroxyxanthone; 7-O-?-D-Glucopyranoside C19H18O9 390.095082 NA MeJP NA NA +MJ052563 2',3',4',5,6,6',7-Heptahydroxyflavone; 2',3',6,7-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052564 2',3,4',5,5',6,7-Heptahydroxyflavone; 2',3,4',6-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052565 2',3,4',5,5',6,7-Heptahydroxyflavone; 3,4',5',6-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052566 2',3,4',5,5',6,7-Heptahydroxyflavone; 3,4',6,7-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052567 2',3,4',5,5',7,8-Heptahydroxyflavone; 3,5',7,8-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052568 2',3,4',5,6,7,8-Heptahydroxyflavone; 3,6,7,8-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052569 2',4',5,5',6,7,8-Heptahydroxyflavone; 5',6,7,8-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052570 3',4',5,5',6,7,8-Heptahydroxyflavone; 4',5',6,8-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052571 3',4',5,5',6,7,8-Heptahydroxyflavone; 4',6,7,8-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052572 3,3',4',5,5',6,7-Heptahydroxyflavone; 3',4',6,7-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052573 3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',4',6-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052574 3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',4',7-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052575 3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',5',6-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052576 3,3',4',5,5',6,7-Heptahydroxyflavone; 3,4',6,7-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052577 3,3',4',5,5',7,8-Heptahydroxyflavone; 3,4',5',8-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052578 3,3',4',5,5',7,8-Heptahydroxyflavone; 3,4',7,8-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052579 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',6,7,8-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052580 3,3',4',5,6,7,8-Heptahydroxyflavone; 3,3',6,8-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052581 3,3',4',5,6,7,8-Heptahydroxyflavone; 3,4',6,8-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052582 3,3',4',5,6,7,8-Heptahydroxyflavone; 3,4',7,8-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052583 3,3',4',5,6,7,8-Heptahydroxyflavone; 3,6,7,8-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052584 3,3',4',5,6,7,8-Heptahydroxyflavone; 4',6,7,8-Tetra-Me ether C19H18O9 390.095082 NA MeJP NA NA +MJ052585 Clitoriacetal C19H18O9 390.095082 NA MeJP NA NA +MJ052586 Cryptothamnolic acid C19H18O9 390.095082 NA MeJP NA NA +MJ052587 Dissectic acid C19H18O9 390.095082 NA MeJP NA NA +MJ052588 Echinocarpic acid C19H18O9 390.095082 NA MeJP NA NA +MJ052589 Osoic acid; 3-Me ether, 2'-Ac, 1-Me ester C19H18O9 390.095082 NA MeJP NA NA +MJ052590 Squamatic acid C19H18O9 390.095082 NA MeJP NA NA +C08543 Dopaxanthin C18H18N2O8 390.1063 NA KEGG NA NA +MJ052591 Dopaxanthin C18H18N2O8 390.106315 NA MeJP NA NA +HMDB12221 Dopaxanthin C18H18N2O8 390.106323 NA HMDB2010 NA NA +CJneg0581 p-Hydroxyhippuric acid [(2M-H)]- C18H17N2O8 390.106825 C18rt(min)=4.85 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0582 ?-hydroxyhippuric acid [(2M-H)]- C18H17N2O8 390.106825 C18rt(min)=4.99 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0581 p-Hydroxyhippuric acid [(2M-H)]- C18H17N2O8 390.106825 C18rt(min)=4.85 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0582 ?-hydroxyhippuric acid [(2M-H)]- C18H17N2O8 390.106825 C18rt(min)=4.99 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ052592 1-[7-(2,4-Dihydroxy-6-methylbenzoyl)-8-hydroxynaphtho[1,8-bc]pyran-2-yl]-2-propanone C23H18O6 390.110338 NA MeJP NA NA +MJ052593 Celabaquinone C23H18O6 390.110338 NA MeJP NA NA +MJ052594 Celebaquinone C23H18O6 390.110338 NA MeJP NA NA +MJ052595 Isocelabaquinone C23H18O6 390.110338 NA MeJP NA NA +C09788 Monotropein C16H22O11 390.1162 NA KEGG NA NA +MJ052596 Eustomoside C16H22O11 390.116211 NA MeJP NA NA +MJ052597 Forsythide C16H22O11 390.116211 NA MeJP NA NA +MJ052598 Gardenosidic acid C16H22O11 390.116211 NA MeJP NA NA +MJ052599 Kingiside; Parent acid C16H22O11 390.116211 NA MeJP NA NA +MJ052600 Monotropein C16H22O11 390.116211 NA MeJP NA NA +MJ052601 Scandoside C16H22O11 390.116211 NA MeJP NA NA +MJ052602 Theveside C16H22O11 390.116211 NA MeJP NA NA +MJ052603 Lidocaine; Ethiodide C16H27IN2O 390.116806 NA MeJP NA NA +MJ052604 Riboflavine; 5'-Carboxylic acid C17H18N4O7 390.117548 NA MeJP NA NA +PJ000793 GPCD C14H22N4O7S 390.1209 NA PeJP NA NA +MJ052605 Camptothecin, Ac C22H18N2O5 390.121571 NA MeJP NA NA +MJ052606 Sclerotiorin C21H23ClO5 390.123401 NA MeJP NA NA +3121 a1-chain of collagen fr,: 435-438 DGEA 390.1269 celiac toxic Inhouse_peptide NA peptide +MJ052607 Ambutonium(1+); Bromide C20H27BrN2O 390.130676 NA MeJP NA NA +FL6FAAGS0001 Apigeniflavan 5-O-xyloside C20H22O8 390.13146 61402-86-6 knapsack NA NA +FLICQUNS0008 Abruquinone B;6,7,8,3',4'-Pentamethoxyisoflavanquinone C20H22O8 390.13146 71593-09-4 knapsack NA NA +MJ052608 1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(2-Hydroxymethylpropenoyl), 13-Me ether C20H22O8 390.131467 NA MeJP NA NA +MJ052609 1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(4-Hydroxy-3-methyl-2-butenoyl)(E-) C20H22O8 390.131467 NA MeJP NA NA +MJ052610 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-?-D-Glucopyranoside C20H22O8 390.131467 NA MeJP NA NA +MJ052611 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 4'-O-?-D-Glucopyranoside C20H22O8 390.131467 NA MeJP NA NA +MJ052612 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-?-D-Glucopyranoside C20H22O8 390.131467 NA MeJP NA NA +MJ052613 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 4'-O-?-D-Glucopyranoside C20H22O8 390.131467 NA MeJP NA NA +MJ052614 10-Hydroxyloganic acid; Aglycone, 10-O-(4-hydroxycinnamoyl)(E-), Me ester C20H22O8 390.131467 NA MeJP NA NA +MJ052615 15,16-Epoxy-4,6-dihydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide, 2?,3?-Epoxide C20H22O8 390.131467 NA MeJP NA NA +MJ052616 15,16-Epoxy-4,6-dihydroxy-2,13(16),14-clerodatriene-18,19:20,12-diolide, 2?,3?-Epoxide C20H22O8 390.131467 NA MeJP NA NA +MJ052617 15,16-Epoxy-4,8,10-trihydroxy-1,13(16),14-clerodatriene-17,12:18,19-diolide C20H22O8 390.131467 NA MeJP NA NA +MJ052618 15-Methoxycarbonylnagilactone D C20H22O8 390.131467 NA MeJP NA NA +MJ052619 2,3:15,16-Diepoxy-4,10-dihydroxy-13(16),14-clerodadiene-1,18:12,17-diolide C20H22O8 390.131467 NA MeJP NA NA +MJ052620 2-Glucosyl-3,4',5-trihydroxystilbene C20H22O8 390.131467 NA MeJP NA NA +MJ052621 3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl) C20H22O8 390.131467 NA MeJP NA NA +MJ052622 3,10:11,13-Diepoxy-8,15-dihydroxy-2,4-germacradien-12,6-olide, 8-Angeloyl C20H22O8 390.131467 NA MeJP NA NA +MJ052623 3,4-Epoxy-2,5,8,9-tetrahydroxy-1(10),11(13)-guaiadien-12,6-olide, 2-Ketone, 9-angeloyl C20H22O8 390.131467 NA MeJP NA NA +MJ052624 4',5,7-Trihydroxyflavan, 5-O-?-D-Xylopyranoside C20H22O8 390.131467 NA MeJP NA NA +MJ052625 4-Glucosyl-3,4',5-trihydroxystilbene C20H22O8 390.131467 NA MeJP NA NA +MJ052626 6,6'-Dimethyl-2,2',3,3',4,4',5,5'-biphenyloctol; 2,2',5,5'-Tetra-Me, 3,4:3',4'-bis(methylene) ether C20H22O8 390.131467 NA MeJP NA NA +MJ052627 8,16-Dihydroxy-1,3,13-clerodatriene-17,12:18,6-diolid-15-oic acid C20H22O8 390.131467 NA MeJP NA NA +MJ052628 Abruquinone A, 8-Methoxy C20H22O8 390.131467 NA MeJP NA NA +MJ052629 Arizonin C3 C20H22O8 390.131467 NA MeJP NA NA +MJ052630 Atranorin; 9-Alcohol, 4-Me ether C20H22O8 390.131467 NA MeJP NA NA +MJ052631 Cordyanhydride A C20H22O8 390.131467 NA MeJP NA NA +MJ052632 Jugalinone C20H22O8 390.131467 NA MeJP NA NA +MJ052633 Leprolomin C20H22O8 390.131467 NA MeJP NA NA +MJ052634 Nubilactone A C20H22O8 390.131467 NA MeJP NA NA +MJ052635 Prinsepiol C20H22O8 390.131467 NA MeJP NA NA +MJ052636 Salicin; 2'-Benzoyl C20H22O8 390.131467 NA MeJP NA NA +MJ052637 Salicin; 6'-Benzoyl C20H22O8 390.131467 NA MeJP NA NA +MJ052638 Saudinolide; 2,3-Dihydro C20H22O8 390.131467 NA MeJP NA NA +MJ052639 Subsekikaic acid C20H22O8 390.131467 NA MeJP NA NA +MJ052640 Thujastandin C20H22O8 390.131467 NA MeJP NA NA +MetaCyc03333 piceid [5,4'-dihydroxystilbene-3-O-β-D-glucopyranoside;] C20H22O8 390.131468 NA metacyc NA NA +C10275 Piceid C20H22O8 390.1315 NA KEGG NA NA +C10823 Populin C20H22O8 390.1315 NA KEGG NA NA +PJ000794 NEE C14H22N4O9 390.1387 NA PeJP NA NA +MJ052641 7,8-Dihydroxy-1-methyl-?-carboline; O7-Me, 8-O-?-D-glucopyranoside C19H22N2O7 390.142701 NA MeJP NA NA +FLNAA9NP0001 6-Butyryl-5-hydroxy-4-phenylseselin C24H22O5 390.14672 80752-02-9 knapsack NA NA +FLNAA9NP0009 Mesuagin;5-Hydroxy-6'',6''-dimethyl-6-isobutyryl-4-phenylpyrano[2'',3'':7,8]coumarin C24H22O5 390.14672 21721-08-4 knapsack NA NA +MJ052642 5-Hydroxy-8,8-dimethyl-6-(1-oxobutyl)-4-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one C24H22O5 390.146723 NA MeJP NA NA +MJ052643 Mesuagin C24H22O5 390.146723 NA MeJP NA NA +PJ000795 GSNN C13H22N6O8 390.1499 NA PeJP NA NA +MJ052644 3-(3,4,5-Trihydroxyphenyl)-1,2-propanediol; 3',4'-Di-Me ether, 1-O-?-D-glucopyranoside C17H26O10 390.152597 NA MeJP NA NA +MJ052645 Adoxosidic acid; Me ester C17H26O10 390.152597 NA MeJP NA NA +MJ052646 Ajugol; 6-Ac C17H26O10 390.152597 NA MeJP NA NA +MJ052647 Ajugol; 6-Epimer, 6-Ac C17H26O10 390.152597 NA MeJP NA NA +MJ052648 Ajugol; 8-Ac C17H26O10 390.152597 NA MeJP NA NA +MJ052649 Harpagide; 6-Deoxy, 8-Ac C17H26O10 390.152597 NA MeJP NA NA +MJ052650 Loganic acid; 8-Epimer, Me ester C17H26O10 390.152597 NA MeJP NA NA +MJ052651 Loganic acid; Me ester C17H26O10 390.152597 NA MeJP NA NA +MJ052652 Mussaenosidic acid; 1,5,9-Triepimer, Me ester C17H26O10 390.152597 NA MeJP NA NA +MJ052653 Mussaenosidic acid; Me ester C17H26O10 390.152597 NA MeJP NA NA +MJ052654 Penstemonoside C17H26O10 390.152597 NA MeJP NA NA +MJ052655 Secologanol C17H26O10 390.152597 NA MeJP NA NA +MJ052656 Loganin C17H26O10 390.152597 NA MeJP NA NA +MetaCyc03334 loganin [] C17H26O10 390.152597 18524-94-2 metacyc NA NA +C01433 Loganin C17H26O10 390.1526 NA KEGG NA NA +C01437 Met-Xaa C7H13N2O3SR 390.1526 NA KEGG NA NA +PJ000796 GEW C18H22N4O6 390.154 NA PeJP NA NA +PJ000797 GSPM C15H26N4O6S 390.1573 NA PeJP NA NA +MJ052657 4-(Methoxymethyl)-6-(phenylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid; Et ester C23H22N2O4 390.157957 NA MeJP NA NA +MJ052658 Dehydronormacrostomine C23H22N2O4 390.157957 NA MeJP NA NA +MJ052659 Amadinone; 17-Ac C22H27ClO4 390.159787 NA MeJP NA NA +MJ052660 Antibiotic FO 2338; Antibiotic FO 2338C C22H27ClO4 390.159787 NA MeJP NA NA +MJ052661 Antibiotic FO 2338; Antibiotic FO 2338D C22H27ClO4 390.159787 NA MeJP NA NA +MJ052662 Isochromophilone IIa C22H27ClO4 390.159787 NA MeJP NA NA +MetaCyc03335 1, 4-cyclohexanebis (methylamine), N,N'-bis(o- chlorobenzyl)-, dihydrochloride, trans- [benzylamine, N,N'-(1, 4-cyclohexylenedimethylene)bis(2-chloro-, dihydrochloride, (E)-;1, 4-cyclohexanebis (methylamine), N,N'-bis(o-chlorobenzyl)-, dihydrochloride, trans-;1, 4-cyclohexanebis(methylamine), N,N'-bis(2-chlorobenzyl)-, dihydrochloride, (E)-;1,4-cyclohexanebis(methylamine), N, N'-bis(o-chlorobenzyl)-, dihydrochloride;1,4-cyclohexanedimethanamine, N, N'-bis[ (2-chlorophenyl)methyl] -, dihydrochloride, trans-;trans 1,4-bis[[ (2-dichlorobenzyl)amino]ethyl]cyclohexane dichlorhydrate;trans-1, 4-bis(2-chlorobenzylaminomethyl)cyclohexane dihydrochloride;trans-1,4-bis(2-dichlorobenzylaminoethyl)cyclohexane hydrochloride;trans-N,N'-(1, 4-cyclohexylenedimethylene)bis[(2-chlorobenzyl) amine] dihydrochloride;trans-N,N'-bis(2-chlorobenzyl)-1, 4-cyclohexanebis(methylamine) dihydrochloride;] C22H28N2CL2 390.162954 NA metacyc NA NA +HMDB01133 trans-1,4-bis(2-Chlorobenzaminomethyl)cyclohexane C22H28Cl2N2 390.16296 http://www.hmdb.ca/metabolites/HMDB01133 HMDB NA NA +HMDB01133 trans-1,4-bis(2-Chlorobenzaminomethyl)cyclohexane C22H28Cl2N2 390.16296 HMDB01133 PFEM_hmdb_metabocards_official NA NA +3715 NA YSQQQQ 390.1635 MH2+ Inhouse_peptide NA peptide +MJ052663 Flibanserin C20H21F3N4O 390.166745 NA MeJP NA NA +MJ052664 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 3-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052665 1,10-Epoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 14-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052666 1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 3-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052667 1,5,8-Trihydroxy-14-oxo-4(15),9,11(13)-germacratrien-12,6-olide, O1-Et, 8-O-(2-methyl-2-propenoyl) C21H26O7 390.167853 NA MeJP NA NA +MJ052668 1,6,10-Trihydroxyfuranoeremophilan-9-one, 1-(2-Methyl-2-propenoyl), 6-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052669 1,6,10-Trihydroxyfuranoeremophilan-9-one, 6-(2-Methyl-2-propenoyl), 1-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052670 1-(3-Methoxy-4,5-methylenedioxyphenyl)-1,2-propanediol, Diangeloyl C21H26O7 390.167853 NA MeJP NA NA +MJ052671 10-Hydroxy-3,15,17-sphenolobatrien-12,13-olide-11,19-dioic acid, 11-Me ester C21H26O7 390.167853 NA MeJP NA NA +MJ052672 15,16-Epoxy-2,6-dihydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, Me ester C21H26O7 390.167853 NA MeJP NA NA +MJ052673 15,16-Epoxy-2-hydroxy-1-oxo-13(16),14-clerodadien-17,12-olid-18-oic acid, Me ester C21H26O7 390.167853 NA MeJP NA NA +MJ052674 15,16-Epoxy-6,19-dihydroxy-3,13(16),14-clerodatrien-20,12-olid-18-oic acid, Me ester C21H26O7 390.167853 NA MeJP NA NA +MJ052675 15-Hydroxy-4,13-clerodadiene-16,15:17,12-diolid-18-oic acid, Me ester C21H26O7 390.167853 NA MeJP NA NA +MJ052676 2,14:4,5-Diepoxy-8,14-dihydroxy-1(10),11(13)-germacradien-12,6-olide, O14-Et, 8-(2-methylpropenoyl) C21H26O7 390.167853 NA MeJP NA NA +MJ052677 2,14:4,5-Diepoxy-8,14-dihydroxy-1(10),11(13)-germacradien-12,6-olide, O14-Me, 8-(3-methyl-2-butenoyl) C21H26O7 390.167853 NA MeJP NA NA +MJ052678 2,14:4,5-Diepoxy-8,14-dihydroxy-1(10),11(13)-germacradien-12,6-olide, O14-Me, 8-tigloyl C21H26O7 390.167853 NA MeJP NA NA +MJ052679 2,3-Epoxy-14,15-dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(Methylpropanoyl),14-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052680 2,3-Epoxy-14,15-dihydroxy-1,3,11(13)-elematrien-12,8-olide, 15-(Methylpropanoyl), 14-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052681 2,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 2-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052682 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]decane-3,4,8-triol; 8-Ac, 3-O-(3-methylbutanoyl) C21H26O7 390.167853 NA MeJP NA NA +MJ052683 2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-2,3-dihydro-6-hydroxy-3-methylbenzofuran, 5'-Hydroxy, 3',4',5-tri-Me ether C21H26O7 390.167853 NA MeJP NA NA +MJ052684 2-[2-(3,4-Dihydroxyphenyl)ethyl]tetrahydro-6-(3,4,5-trihydroxyphenyl)-2H-pyran-4-ol, 3',3''-Di-Me ether C21H26O7 390.167853 NA MeJP NA NA +MJ052685 3',4,4',5,5',9,9'-Heptahydroxy-2,7'-cyclolignan, 3',5,5'-Tri-Me ether C21H26O7 390.167853 NA MeJP NA NA +MJ052686 3,10-Epoxy-3,8,15-trihydroxy-1,4,11(13)-germacratrien-12,6-olide, 3-Me ether, 8-angeloyl C21H26O7 390.167853 NA MeJP NA NA +MJ052687 3,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,8-olide; 15-(Methylpropanoyl), 3-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052688 3,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,8-olide; 3-(Methylpropanoyl), 15-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052689 3,3',4,4',5',9-Hexahydroxy-7,9'-epoxylignan, 3,3',5'-Tri-Me ether C21H26O7 390.167853 NA MeJP NA NA +MJ052690 3,3',4,4',5,9,9'-Heptahydroxy-2,7'-cyclolignan, 3,3',5-Tri-Me ether C21H26O7 390.167853 NA MeJP NA NA +MJ052691 3,3',4,4',5,9-Hexahydroxy-7,9'-epoxylignan, 3,3',5-Tri-Me ether C21H26O7 390.167853 NA MeJP NA NA +MJ052692 4,5-Epoxy-8,13-dihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(Methylpropenoyl), 13-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052693 4,8,13-Trihydroxy-7(11)-bourbonen-12,6-olide, 8-(Methylpropenoyl),13-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052694 4,8,9-Trihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide, 8-(Methylpropanoyl), 9-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052695 5,9,10-Trihydroxy-14-oxo-7-marasmen-15,5-olide, 10-(2E-Hexenoyl) C21H26O7 390.167853 NA MeJP NA NA +MJ052696 6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 6-(2-Methylpropanoyl), 8-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052697 6-Hydroxy-?7,(14)-caulerpenyne C21H26O7 390.167853 NA MeJP NA NA +MJ052698 8,10-Dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 10-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052699 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(2-Methylpropenoyl), 8-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052700 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(2-Methylpropenoyl), 15-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052701 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 15-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052702 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-O-(2-Acetoxymethyl-2-propenoyl) C21H26O7 390.167853 NA MeJP NA NA +MJ052703 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl), 15-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052704 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-Angeloyl, Me ester C21H26O7 390.167853 NA MeJP NA NA +MJ052705 8-(1-Hydroxy-2-oxo-3-methylbutyl)-7-methoxy-2H-1-benzopyran-2-one, 5-Methoxy, O-(3-methylbutanoyl) C21H26O7 390.167853 NA MeJP NA NA +MJ052706 9,10-Epoxy-p-mentha-1,3,5-triene-3,7,8-triol; 3-Angeloyl, 7-(2-methylpropanoyl), 8-Ac C21H26O7 390.167853 NA MeJP NA NA +MJ052707 Busaliol C21H26O7 390.167853 NA MeJP NA NA +MJ052708 Caulerpenyne; 10?,11?-Epoxide C21H26O7 390.167853 NA MeJP NA NA +MJ052709 Clementein C21H26O7 390.167853 NA MeJP NA NA +MJ052710 Lanugone D C21H26O7 390.167853 NA MeJP NA NA +MJ052711 Lanugone N; 6-Ketone, O-de-Me C21H26O7 390.167853 NA MeJP NA NA +MJ052712 Liriolignal C21H26O7 390.167853 NA MeJP NA NA +MJ052713 Lunatoic acid B C21H26O7 390.167853 NA MeJP NA NA +MJ052714 Neocynaponogenin A C21H26O7 390.167853 NA MeJP NA NA +MJ052715 Rosmic acid C21H26O7 390.167853 NA MeJP NA NA +MJ052716 Strobilurin N C21H26O7 390.167853 NA MeJP NA NA +MJ052717 Taxifolial C C21H26O7 390.167853 NA MeJP NA NA +MJ052718 Zopfiellin C21H26O7 390.167853 NA MeJP NA NA +MJ052719 ?-Intermedianol; 7-O-De-Me C21H26O7 390.167853 NA MeJP NA NA +C09412 Erioflorin acetate C21H26O7 390.1679 NA KEGG NA NA +PJ000798 WW C22H22N4O3 390.1692 NA PeJP NA NA +C06492 Compound II(R/S) C21H27ClN2O3 390.171 NA KEGG NA NA +MJ052720 Serylvalylglycylglutamic acid C15H26N4O8 390.175063 NA MeJP NA NA +MetaCyc03336 L-Ala-γ-D-Glu-Dap [L-Ala-γ-D-Glu-diaminopimelate;] C15H26N4O8 390.175064 NA metacyc NA NA +MetaCyc03337 L-Ala-D-Glu-meso-A2pm [] C15H26N4O8 390.175064 NA metacyc NA NA +PJ000799 DKE C15H26N4O8 390.1751 NA PeJP NA NA +MJ052721 Efletirizine C21H24F2N2O3 390.175499 NA MeJP NA NA +3341 ACE inhibitor FQP 390.178 celiac toxic Inhouse_peptide NA peptide +MJ052722 Nitrosporin C20H26N2O6 390.179086 NA MeJP NA NA +C11573 6,8-Di-DMA-chrysin C25H26O4 390.1831 NA KEGG NA NA +C11574 6-Geranylchrysin C25H26O4 390.1831 NA KEGG NA NA +C11575 8-Geranylchrysin C25H26O4 390.1831 NA KEGG NA NA +FL1C1ANI0018 Lespeol C25H26O4 390.1831 74174-28-0 knapsack NA NA +FL1C1ANP0012 Paratocarpin C C25H26O4 390.1831 161099-58-7 knapsack NA NA +FL1C1ANP0013 Anthyllisone;5-Prenyl-6'',6''-dimethylpyrano[2'',3'':4,3]-2',4'-dihydroxychalcone C25H26O4 390.1831 178734-43-5 knapsack NA NA +FL1C1ANP0016 Paratocarpin B;3-Prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']-4,2'-dihydroxychalcone C25H26O4 390.1831 161099-57-6 knapsack NA NA +FL1DA9NR0001 Rubranine C25H26O4 390.1831 31759-29-2 knapsack NA NA +FL2F1ANP0002 Abyssinone III C25H26O4 390.1831 77263-09-3 knapsack NA NA +FL2F1ANP0005 Euchrenone a5 C25H26O4 390.1831 125140-20-7 knapsack NA NA +FL2F1ANP0008 Dinklagin A;7-Hydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone C25H26O4 390.1831 487010-46-8 knapsack NA NA +FL2F1ANP0009 Shinflavanone;(2S)-4'-Hydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone C25H26O4 390.1831 157414-03-4 knapsack NA NA +FL2FA9NP0002 Fulvinervin A C25H26O4 390.1831 99877-71-1 knapsack NA NA +FL3F1ANI0001 Licoflavone B;Prenyllicoflavone A;7-Hydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C25H26O4 390.1831 91433-17-9 knapsack NA NA +FLIC1LNP0009 Hispaglabridin B C25H26O4 390.1831 68978-02-9 knapsack NA NA +FLID1ANP0004 Folitenol C25H26O4 390.1831 26992-37-0 knapsack NA NA +FLID1ANP0005 Folinin C25H26O4 390.1831 26992-36-9 knapsack NA NA +FLID1ANP0007 Erybraedin D;(6aR,11aR)-3-Hydroxy-4-prenyl-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpan C25H26O4 390.1831 119269-72-6 knapsack NA NA +FLID1ANP0008 Erybraedin B;(6aR,11aR)-3-Hydroxy-4-prenyl-6'',6''-dimethylpyrano[2'',3'':9,10]pterocarpan C25H26O4 390.1831 119269-75-9 knapsack NA NA +FLIDWXNI0001 Erycristagallin;3,9-Dihydroxy-2,10-diprenylpterocarpene C25H26O4 390.1831 92533-56-7 knapsack NA NA +MJ052723 3,9-Dihydroxy-2,10-diprenylpterocarpene C25H26O4 390.183109 NA MeJP NA NA +MJ052724 4',7-Dihydroxy-3',6-diprenylflavone C25H26O4 390.183109 NA MeJP NA NA +MJ052725 4',7-Dihydroxy-3',8-diprenylisoflavone C25H26O4 390.183109 NA MeJP NA NA +MJ052726 4',7-Dihydroxyisoflavone; 4'-O-(3,7-Dimethyl-2,6-octadienyl)(E-) C25H26O4 390.183109 NA MeJP NA NA +MJ052727 Abyssinone III C25H26O4 390.183109 NA MeJP NA NA +MJ052728 Anthyllisone C25H26O4 390.183109 NA MeJP NA NA +MJ052729 Erybraedin B C25H26O4 390.183109 NA MeJP NA NA +MJ052730 Erybraedin D C25H26O4 390.183109 NA MeJP NA NA +MJ052731 Euchrenone a2, 5-Deoxy C25H26O4 390.183109 NA MeJP NA NA +MJ052732 Euchrenone a5 C25H26O4 390.183109 NA MeJP NA NA +MJ052733 Folinin C25H26O4 390.183109 NA MeJP NA NA +MJ052734 Folitenol C25H26O4 390.183109 NA MeJP NA NA +MJ052735 Fulvinervin A C25H26O4 390.183109 NA MeJP NA NA +MJ052736 Gangetin; Demethoxy C25H26O4 390.183109 NA MeJP NA NA +MJ052737 Glyinflanin J C25H26O4 390.183109 NA MeJP NA NA +MJ052738 Glyinflanin K C25H26O4 390.183109 NA MeJP NA NA +MJ052739 Hispaglabridin B C25H26O4 390.183109 NA MeJP NA NA +MJ052740 Lespeol C25H26O4 390.183109 NA MeJP NA NA +MJ052741 Lupinifolin, 4'-Deoxy C25H26O4 390.183109 NA MeJP NA NA +MJ052742 Paratocarpin B C25H26O4 390.183109 NA MeJP NA NA +MJ052743 Paratocarpin C C25H26O4 390.183109 NA MeJP NA NA +MJ052744 Rubranine C25H26O4 390.183109 NA MeJP NA NA +MJ052745 Fluocortin C22H27FO5 390.184252 NA MeJP NA NA +MJ052746 Fluprednidene C22H27FO5 390.184252 NA MeJP NA NA +MJ052747 Meclozine C25H27ClN2 390.186276 NA MeJP NA NA +C07116 Meclizine C25H27ClN2 390.1863 NA KEGG NA NA +PJ000800 SER C14H26N6O7 390.1863 NA PeJP NA NA +PJ000801 SVW C19H26N4O5 390.1903 NA PeJP NA NA +MJ052748 Hoquizil C19H26N4O5 390.190319 NA MeJP NA NA +PJ000802 LQM C16H30N4O5S 390.1937 NA PeJP NA NA +MJ052749 Antibiotic LL-Z 1272?; 5-Chloro C23H31ClO3 390.196172 NA MeJP NA NA +MJ052750 1-[6-Amino-2-(1-hexenyl)-9H-purin-9-yl]-1-deoxy-N-ethyl-?-D-ribofuranuronamide C18H26N6O4 390.201553 NA MeJP NA NA +HMDB05093 20-trifluoromethyl-leukotriene B4 C20H29F3O4 390.20178 http://www.hmdb.ca/metabolites/HMDB05093 HMDB NA NA +HMDB05093 20-trifluoromethyl-leukotriene B4 C20H29F3O4 390.20178 HMDB05093 PFEM_hmdb_metabocards_official NA NA +MJ052751 20,20,20-Trifluoro-5,12-dihydroxy-6,8,10,14-eicosatetraenoic acid C20H29F3O4 390.201794 NA MeJP NA NA +C08771 Neoquassin C22H30O6 390.2042 NA KEGG NA NA +C09491 Laserolide C22H30O6 390.2042 NA KEGG NA NA +C10690 Megaphone C22H30O6 390.2042 NA KEGG NA NA +C17051 Picrasin D C22H30O6 390.2042 NA KEGG NA NA +MJ052752 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 3-Et ether, 8-angeloyl C22H30O6 390.204238 NA MeJP NA NA +MJ052753 1,11-Dihydroxy-3-eudesmen-12,6-olide, 11-(3-Methyl-2-butenoyl), 1-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052754 1,11-Dihydroxy-3-eudesmen-12,6-olide, 11-Angeloyl, 1-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052755 1,11-Dihydroxy-4(15)-eudesmen-12,6-olide, 11-Angeloyl, 1-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052756 1,3,7,14-Tetrahydroxy-16-kauren-15-one, 3-Ketone, 1-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052757 1,6,14-Trihydroxy-16-kaurene-7,15-dione, 6-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052758 1,6-Dihydroxyfuranoeremophilan-9-one, 6-(3-Methylbutanoyl), 1-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052759 1,7,14,18-Tetrahydroxy-16-kauren-15-one, 18-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052760 1,9-Dihydroxy-3-eudesmen-12,6-olide, 1-Angeloyl, 9-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052761 11,12,16-Trihydroxy-8,11,13-abietatrien-20-oic acid; 16-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052762 11,12-Epoxy-8,13-dihydroxy-3,6,15(17)-cembratrien-16,2-olide, 13-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052763 12-Hydroxy-8,12-abietadiene-11,14-dione; 7?-Acetoxy, 20-hydroxy C22H30O6 390.204238 NA MeJP NA NA +MJ052764 13(16),14-Spongiadiene-2,3,17,19-tetrol, 2-Ketone, 3-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052765 15,16-Epoxy-17,19-dihydroxy-3,13(16),14-clerodatrien-18-oic acid; ent-form, 17-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052766 15,16-Epoxy-6,7,9-trihydroxy-13(16),14-labdadien-19-oic acid, 19?6 Lactone, 7-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052767 15,16-Epoxy-6,9,20-trihydroxy-13(16),14-labdadien-19-oic acid, 19?20 Lactone, 6-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052768 16,17-Dihydroxy-7-acritoconfertenoic acid; 16-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052769 16-Kaurene-1,3,6,11,15-pentol, 6,15-Diketone, 3-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052770 17-Hydroxy-2,6,10,14-phytatetraen-1,20-olid-18-oic acid, Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052771 17-Hydroxy-2,6,10,14-phytatetraen-20,1-olid-18-oic acid, Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052772 2,7-Dihydroxy-3-oxo-1,4(19)-clerodadien-15-oic acid, 7-Ac, 13,14-didehydro (E-) C22H30O6 390.204238 NA MeJP NA NA +MJ052773 2-Hydroxy-3,13-clerodadien-15,16-olid-17-oic acid, Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052774 2-Hydroxy-3,13-clerodadien-16,15-olid-17-oic acid, Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052775 3,3',4,4',5,5'-Hexahydroxylignan, 3,3',5,5'-Tetra-Me ether C22H30O6 390.204238 NA MeJP NA NA +MJ052776 3,3',4,4',7,7'-Hexahydroxylignan, 3,3',4,4'-Tetra-Me ether C22H30O6 390.204238 NA MeJP NA NA +MJ052777 3,3',4,4',9,9'-Hexahydroxylignan, 3,3',4,4'-Tetra-Me ether C22H30O6 390.204238 NA MeJP NA NA +MJ052778 3,4-Dihydroxy-7(11)-eudesmen-12,8-olide, 3-Angeloyl, 4-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052779 3,4-Epoxy-13,18-dihydroxy-7,11,15(17)-cembratrien-16,14-olide; 18-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052780 3,6-Dihydroxyfuranoeremophilan-9-one, 6-(2-Methylbutanoyl), 3-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052781 3,7,12,14-Tetrahydroxy-16-kauren-15-one, 3-Ketone, 12-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052782 3,7,14-Trihydroxy-16-kaurene-12,15-dione, 3-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052783 3,9-Dihydroxy-4,11(13)-germacradien-12,6-olide, 9-Angeloyl, 3-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052784 3-(3,6-Dihydro-3-hydroxy-6-oxo-2H-pyran-2-yl)-2-propenoic acid, 3-O-(4,6-Dimethyl-2,4-dodecadienoyl)(2E,4E,6S-) C22H30O6 390.204238 NA MeJP NA NA +MJ052785 3-Hydroxy-13-halimene-16,15:20,5-diolide, Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052786 4,18:15,16-Diepoxy-1,19-dihydroxy-13(16),14-clerodadien-6-one, 1-Ketone, 6?-alcohol, 19-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052787 4,18:15,16-Diepoxy-1,19-dihydroxy-13(16),14-clerodadien-6-one, 19-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052788 4,9,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 13-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052789 6,7,11,12-Tetrahydroxy-8,11,13-abietatrien-20,6-olide, 6,7-Di-Me ether C22H30O6 390.204238 NA MeJP NA NA +MJ052790 6,7,12-Trihydroxy-8,12-abietadiene-11,14-dione, 7-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052791 7,12,16-Trihydroxy-8,12-abietadiene-11,14-dione, 16-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052792 7,15-Dihydroxy-3,13-clerodadien-15,16-olid-18-oic acid, 15-Deoxy, 7-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052793 7,20-Epoxy-1,7,11-trihydroxy-16-kauren-15-one, 11-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052794 7,20-Epoxy-1,7,14-trihydroxy-16-kauren-15-one, 1-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052795 7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 1-Ketone, 15-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052796 7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 15-Ketone, 1-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052797 7,20-Epoxy-16-kaurene-6,7,11,15-tetrol, 15-Ketone, 11-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052798 7,20-Epoxy-6,7,15-trihydroxy-16-kauren-11-one, 6-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052799 7,20-Epoxy-6,7,19-trihydroxy-16-kauren-15-one, 19-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052800 7-Hydroxy-18-oxo-3,13-clerodadien-16,15-olide, 18-Carboxylic acid, Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052801 8,11-Dihydroxy-1(10),4-germacradien-12,6-olide, 11-Angeloyl, 8-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052802 8,11-Dihydroxy-1,3-elemadien-12,6-olide, 11-Angeloyl, 6-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052803 8,11-Epidioxy-7-hydroxy-3,12,15(17)-cembratrien-16,2-olide, Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052804 8,12-Dihydroxy-4-isocedren-15,14-olide; 8-O-(3-Methylbutanoyl), 12-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052805 Alcyonolide C22H30O6 390.204238 NA MeJP NA NA +MJ052806 Coleon P C22H30O6 390.204238 NA MeJP NA NA +MJ052807 Coleon Q C22H30O6 390.204238 NA MeJP NA NA +MJ052808 Enmedol C22H30O6 390.204238 NA MeJP NA NA +MJ052809 Fukinolidiol; 1-Angeloyl, 9-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052810 Fukinolidiol; 1-Tigloyl, 9-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052811 Furanoeremophilane-1,6,10-triol, 1-Angeloyl, 6-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052812 Isoapetalic acid; 3,4-Dihydro C22H30O6 390.204238 NA MeJP NA NA +MJ052813 Jaspiferal G; Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052814 Lanugone E C22H30O6 390.204238 NA MeJP NA NA +MJ052815 Lanugone F; 7-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052816 Longirabdolide B; 11-Deoxy, 6-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052817 Longirabdolide E; 6-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052818 Maoecrystal L C22H30O6 390.204238 NA MeJP NA NA +MJ052819 Megaphone C22H30O6 390.204238 NA MeJP NA NA +MJ052820 Nigakihemiacetal B C22H30O6 390.204238 NA MeJP NA NA +MJ052821 Nigakilactone A; 11,12-Methylene ether C22H30O6 390.204238 NA MeJP NA NA +MJ052822 Nodosin; O6-Et C22H30O6 390.204238 NA MeJP NA NA +MJ052823 Phlebiachrysoic acid A C22H30O6 390.204238 NA MeJP NA NA +MJ052824 Piperenone; 6?-Alcohol C22H30O6 390.204238 NA MeJP NA NA +MJ052825 Pregomisin C22H30O6 390.204238 NA MeJP NA NA +MJ052826 Rosmanol; 14-Methoxy, 7-Me ether C22H30O6 390.204238 NA MeJP NA NA +MJ052827 Shikoccin; 1?-Hydroxy C22H30O6 390.204238 NA MeJP NA NA +MJ052828 Shikoccin; 8?,14?-Epoxide C22H30O6 390.204238 NA MeJP NA NA +MJ052829 Siphonodictyal E C22H30O6 390.204238 NA MeJP NA NA +MJ052830 Trichaurantin; 6-Ac C22H30O6 390.204238 NA MeJP NA NA +MJ052831 Trichoaurantianolide C; 8-Ac C22H30O6 390.204238 NA MeJP NA NA +PJ000803 CLR C15H30N6O4S 390.2049 NA PeJP NA NA +PJ000804 GTTL C16H30N4O7 390.2115 NA PeJP NA NA +C15310 6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione acetate C23H31FO4 390.2206 NA KEGG NA NA +MJ052832 Dimesone C23H31FO4 390.220637 NA MeJP NA NA +C13707 RU-0211 C20H32F2O5 390.2218 NA KEGG NA NA +MJ052833 5,11-Epoxy-7-megastigmene-3,9-diol, 7,8-Dihydro, 3-O-?-D-glucopyranoside C19H34O8 390.225368 NA MeJP NA NA +MJ052834 6,9-Epoxy-3,5-megastigmanediol; 3-O-?-D-Glucopyranoside C19H34O8 390.225368 NA MeJP NA NA +MJ052835 7-Megastigmene-3,6,9-triol, 9-O-?-D-Glucopyranoside C19H34O8 390.225368 NA MeJP NA NA +MJ052836 7-Megastigmene-3,6,9-triol, 3-O-?-D-Glucopyranoside C19H34O8 390.225368 NA MeJP NA NA +MJ052837 7-Megastigmene-3,6,9-triol, 9-O-?-D-Glucopyranoside C19H34O8 390.225368 NA MeJP NA NA +MJ052838 7-Megastigmene-5,6,9-triol, 5-O-?-D-Glucopyranoside C19H34O8 390.225368 NA MeJP NA NA +C17450 Rehmaionoside A C19H34O8 390.2254 NA KEGG NA NA +C17451 Rehmaionoside B C19H34O8 390.2254 NA KEGG NA NA +PJ000805 PKF C20H30N4O4 390.2267 NA PeJP NA NA +PJ000806 LKM C17H34N4O4S 390.2301 NA PeJP NA NA +C13963 Mevastatin C23H34O5 390.2406 NA KEGG NA NA +C15404 3beta,17-Dihydroxy-5alpha-pregnane-11,20-dione 3-acetate C23H34O5 390.2406 NA KEGG NA NA +MJ052839 1,3,14-Trihydroxycard-20(22)-enolide C23H34O5 390.240624 NA MeJP NA NA +MJ052840 1,9-Heptadecadiene-11,13-diyn-8-ol, O-L-Rhamnoside C23H34O5 390.240624 NA MeJP NA NA +MJ052841 15-Hydroxy-9-oxo-5,8(12),13-prostatrienoic acid, Ac, Me ester C23H34O5 390.240624 NA MeJP NA NA +MJ052842 16,17,19-Kauranetriol, 17-Carboxylic acid, 19-Aldehyde, 16-Ac, Me ester C23H34O5 390.240624 NA MeJP NA NA +MJ052843 16,17,19-Kauranetriol, 19-Aldehyde, 17-carboxylic acid, 16-Ac, Me ester C23H34O5 390.240624 NA MeJP NA NA +MJ052844 16,18-Dihydroxy-3,13-clerodadien-15,16-olide, 16-Me ether, 18-Ac C23H34O5 390.240624 NA MeJP NA NA +MJ052845 16,21-Epoxy-3,14-dihydroxycardanolide C23H34O5 390.240624 NA MeJP NA NA +MJ052846 2,3,14-Trihydroxycard-20(22)-enolide C23H34O5 390.240624 NA MeJP NA NA +MJ052847 2,3,4-Trihydroxypregn-16-en-20-one, 2-Ac C23H34O5 390.240624 NA MeJP NA NA +MJ052848 2,3,4-Trihydroxypregn-16-en-20-one, 4-Ac C23H34O5 390.240624 NA MeJP NA NA +MJ052849 3,11,14-Trihydroxycard-20(22)-enolide C23H34O5 390.240624 NA MeJP NA NA +MJ052850 3,12,14-Trihydroxycard-20(22)-enolide C23H34O5 390.240624 NA MeJP NA NA +MJ052851 3,14,16-Trihydroxycard-20(22)-enolide C23H34O5 390.240624 NA MeJP NA NA +MJ052852 3,14,19-Trihydroxycard-20(22)-enolide C23H34O5 390.240624 NA MeJP NA NA +MJ052853 3,5,14-Trihydroxycard-20(22)-enolide C23H34O5 390.240624 NA MeJP NA NA +MJ052854 4'-O-Geranylsinapyl alcohol; ?7''-Isomer, 6''-ethoxy C23H34O5 390.240624 NA MeJP NA NA +MJ052855 4,10(14)-Oplopadiene-3,8,9-triol, 3-Ac, 9-(3-Methyl-2-pentenoyl) C23H34O5 390.240624 NA MeJP NA NA +MJ052856 4,9-Dihydroxy-10(14)-oplopen-3-one, 9-(3-Methyl-2E-pentenoyl), 4-Ac C23H34O5 390.240624 NA MeJP NA NA +MJ052857 5,14-Dihydroxy-19-vouacapanoic acid, 14-Et ether, Me ester C23H34O5 390.240624 NA MeJP NA NA +MJ052858 5,8,9-Daucanetriol, 9-(4-Methoxybenzoyl) C23H34O5 390.240624 NA MeJP NA NA +MJ052859 7,13-Corymbidienolide; ?8,17-Isomer, 7?-hydroxy C23H34O5 390.240624 NA MeJP NA NA +MJ052860 7,20-Epoxy-16-kaurene-1,7,11,15-tetrol, 1,11-O-Isopropylidene C23H34O5 390.240624 NA MeJP NA NA +MJ052861 9,15-Dihydroxy-16-kauren-19-oic acid, 9-Ac, Me ester C23H34O5 390.240624 NA MeJP NA NA +MJ052862 Antibiotic LL-Z 1272?; 10',11'-Dihydro, 10?,11-dihydroxy C23H34O5 390.240624 NA MeJP NA NA +MJ052863 Bryophollenone C23H34O5 390.240624 NA MeJP NA NA +MJ052864 Compactin? C23H34O5 390.240624 NA MeJP NA NA +MJ052865 Compactin? C23H34O5 390.240624 NA MeJP NA NA +MJ052866 Dactylospongenone A C23H34O5 390.240624 NA MeJP NA NA +MJ052867 Gracilin A C23H34O5 390.240624 NA MeJP NA NA +MJ052868 Otogirone C23H34O5 390.240624 NA MeJP NA NA +MJ052869 Parvisporin C23H34O5 390.240624 NA MeJP NA NA +MJ052870 Penostatin G C23H34O5 390.240624 NA MeJP NA NA +MJ052871 Peroxyacarnoic acid A; 21,22-Didehydro C23H34O5 390.240624 NA MeJP NA NA +MJ052872 Plakinidone C23H34O5 390.240624 NA MeJP NA NA +MJ052873 Plakortolide F C23H34O5 390.240624 NA MeJP NA NA +MJ052874 Shahamin A C23H34O5 390.240624 NA MeJP NA NA +MJ052875 Ipazilide C24H30N4O 390.241961 NA MeJP NA NA +MJ052876 Oxamarin C22H34N2O4 390.251857 NA MeJP NA NA +MJ052877 Bis(3,4,7-trihydroxy-3,7-dimethyl-1-octen-6-yl) ether C20H38O7 390.261753 NA MeJP NA NA +MJ052878 Chilocorine C26H34N2O 390.267113 NA MeJP NA NA +C03690 Bis(2-ethylhexyl)phthalate C24H38O4 390.277 NA KEGG NA NA +C11637 3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate C24H38O4 390.277 NA KEGG NA NA +C14227 Di-n-octyl phthalate C24H38O4 390.277 NA KEGG NA NA +C14577 Diisooctyl phthalate C24H38O4 390.277 NA KEGG NA NA +C15375 Apocholic acid C24H38O4 390.277 NA KEGG NA NA +HMDB00328 12-Ketodeoxycholic acid C24H38O4 390.277008 NA HMDB2010 NA NA +HMDB00460 7-Hydroxy-3-oxocholanoic acid C24H38O4 390.277008 NA HMDB2010 NA NA +HMDB00467 Nutriacholic acid C24H38O4 390.277008 NA HMDB2010 NA NA +HMDB00503 7a-Hydroxy-3-oxo-5b-cholanoic acid C24H38O4 390.277008 NA HMDB2010 NA NA +MJ052879 1,2-Benzenedicarboxylic acid; Bis(2,5-dimethylhexyl) ester C24H38O4 390.277009 NA MeJP NA NA +MJ052880 1,2-Benzenedicarboxylic acid; Bis(2-ethylhexyl) ester C24H38O4 390.277009 NA MeJP NA NA +MJ052881 16-Hydroxy-8(17),13-labdadien-15-oic acid, O-(2-Methylpropanoyl) C24H38O4 390.277009 NA MeJP NA NA +MJ052882 17-(3,4-Methylenedioxyphenyl)heptadecanoic acid C24H38O4 390.277009 NA MeJP NA NA +MJ052883 2,3-Dihydro-5,8-dihydroxy-2-pentadecyl-4H-1-benzopyran-4-one C24H38O4 390.277009 NA MeJP NA NA +MJ052884 2,6,10,14-Phytatetraene-1,20-diol, Di-Ac C24H38O4 390.277009 NA MeJP NA NA +MJ052885 2,7-Dolabelladiene-10,18-diol, Di-Ac C24H38O4 390.277009 NA MeJP NA NA +MJ052886 2,9:3,16-Diepoxy-6-asbestinen-11-ol, Butanoyl C24H38O4 390.277009 NA MeJP NA NA +MJ052887 2-Heptadecyl-6-hydroxybenzoic acid; 16'-Hydroxy, 8',9'-didehydro(Z-) C24H38O4 390.277009 NA MeJP NA NA +MJ052888 2-Heptadecyl-6-hydroxybenzoic acid; 4-Hydroxy, 10',11'-didehydro C24H38O4 390.277009 NA MeJP NA NA +MJ052889 2-Heptadecyl-6-hydroxybenzoic acid; 4-Hydroxy, 8',9'-didehydro(Z-) C24H38O4 390.277009 NA MeJP NA NA +MJ052890 3,12-Clerodadiene-15,16-diol, 15,16-Di-Ac C24H38O4 390.277009 NA MeJP NA NA +MJ052891 3,12-Clerodadiene-15,16-diol, Dialdehyde C24H38O4 390.277009 NA MeJP NA NA +MJ052892 3,13-Clerodadiene-15,18-diol, Di-Ac C24H38O4 390.277009 NA MeJP NA NA +MJ052893 3,7-Dihydroxychol-4-en-24-oic acid C24H38O4 390.277009 NA MeJP NA NA +MJ052894 3,7-Dihydroxychol-5-en-24-oic acid C24H38O4 390.277009 NA MeJP NA NA +MJ052895 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Tetradecyl ester C24H38O4 390.277009 NA MeJP NA NA +MJ052896 3-Heptadecyl-2,5-dihydroxybenzoquinone; 10',11'-Didehydro, 5-Me ether C24H38O4 390.277009 NA MeJP NA NA +MJ052897 3-Heptadecyl-2,5-dihydroxybenzoquinone; 8',9'-Didehydro, 5-Me ether C24H38O4 390.277009 NA MeJP NA NA +MJ052898 3-Hydroxy-12-oxocholan-24-oic acid C24H38O4 390.277009 NA MeJP NA NA +MJ052899 3-Hydroxy-6-oxocholan-24-oic acid C24H38O4 390.277009 NA MeJP NA NA +MJ052900 3-Hydroxy-7-oxocholan-24-oic acid C24H38O4 390.277009 NA MeJP NA NA +MJ052901 4(18),12-Clerodadiene-15,16-diol, Di-Ac C24H38O4 390.277009 NA MeJP NA NA +MJ052902 6,13-Epoxy-4(18),8(19)-eunicelladiene-9,12-diol, 12-Butanoyl C24H38O4 390.277009 NA MeJP NA NA +MJ052903 6,13-Epoxy-4(18),8-eunicelladiene-3,12-diol, 12-Butanoyl C24H38O4 390.277009 NA MeJP NA NA +MJ052904 7,13(16)-Labdadiene-14,15-diol; 14?-form, Di-Ac C24H38O4 390.277009 NA MeJP NA NA +MJ052905 7,13-Labdadien-15-ol, Methyl malonoyl ester C24H38O4 390.277009 NA MeJP NA NA +MJ052906 7,13-Labdadiene-15,16-diol, Di-Ac C24H38O4 390.277009 NA MeJP NA NA +MJ052907 7,13-Labdadiene-15,17-diol, Di-Ac C24H38O4 390.277009 NA MeJP NA NA +MJ052908 8(17),13-Labdadiene-15,19-diol, 15,19-Di-Ac C24H38O4 390.277009 NA MeJP NA NA +MJ052909 8(17),13-Labdadiene-7,15-diol, Di-Ac C24H38O4 390.277009 NA MeJP NA NA +MJ052910 8(17),14-Labdadiene-3,13-diol, Di-Ac C24H38O4 390.277009 NA MeJP NA NA +MJ052911 8,13-Labdadiene-15,19-diol, Di-Ac C24H38O4 390.277009 NA MeJP NA NA +MJ052912 9,10-Seco-1(10),8,13-labdatrien-15,16-diol, 15,16-Di-Ac C24H38O4 390.277009 NA MeJP NA NA +MJ052913 Amphidinoketide I C24H38O4 390.277009 NA MeJP NA NA +MJ052914 Amphidinolide J C24H38O4 390.277009 NA MeJP NA NA +MJ052915 Amphidinolide R C24H38O4 390.277009 NA MeJP NA NA +MJ052916 Dilophol; 3?-Hydroxy, di-Ac C24H38O4 390.277009 NA MeJP NA NA +MJ052917 Homoancepsenolide C24H38O4 390.277009 NA MeJP NA NA +MJ052918 Nimbocetin C24H38O4 390.277009 NA MeJP NA NA +MJ052919 Trifarin C24H38O4 390.277009 NA MeJP NA NA +MJ052920 Trixagol; Malonyl, Me ester C24H38O4 390.277009 NA MeJP NA NA +MJ052921 Trunculin A C24H38O4 390.277009 NA MeJP NA NA +MJ052922 Trunculin E C24H38O4 390.277009 NA MeJP NA NA +MJ052923 Trunculin G C24H38O4 390.277009 NA MeJP NA NA +MJ052924 hidinoketide I C24H38O4 390.277009 NA MeJP NA NA +HMDB00328 12-Ketodeoxycholic acid C24H38O4 390.27701 http://www.hmdb.ca/metabolites/HMDB00328 HMDB NA NA +HMDB00460 7-Hydroxy-3-oxocholanoic acid C24H38O4 390.27701 http://www.hmdb.ca/metabolites/HMDB00460 HMDB NA NA +HMDB00467 Nutriacholic acid C24H38O4 390.27701 http://www.hmdb.ca/metabolites/HMDB00467 HMDB NA NA +HMDB00503 7a-Hydroxy-3-oxo-5b-cholanoic acid C24H38O4 390.27701 http://www.hmdb.ca/metabolites/HMDB00503 HMDB NA NA +MetaCyc03338 bis(2-ethylhexyl)phthalate [] C24H38O4 390.27701 117-81-7 metacyc NA NA +HMDB00328 12-Ketodeoxycholic acid C24H38O4 390.27701 HMDB00328 PFEM_hmdb_metabocards_official NA NA +HMDB00460 7-Hydroxy-3-oxocholanoic acid C24H38O4 390.27701 HMDB00460 PFEM_hmdb_metabocards_official NA NA +HMDB00467 Nutriacholic acid C24H38O4 390.27701 HMDB00467 PFEM_hmdb_metabocards_official NA NA +HMDB00503 7a-Hydroxy-3-oxo-5b-cholanoic acid C24H38O4 390.27701 HMDB00503 PFEM_hmdb_metabocards_official NA NA +MJ052925 Fenoctimine C27H38N2 390.303499 NA MeJP NA NA +MJ052926 1-Hydroxy-2,5,14-tricosatrien-4-one, Ac C25H42O3 390.313395 NA MeJP NA NA +MJ052927 1-Hydroxy-2,5,16-tricosatrien-4-one, Ac C25H42O3 390.313395 NA MeJP NA NA +MJ052928 1-Hydroxy-2,5,18-tricosatrien-4-one, Ac C25H42O3 390.313395 NA MeJP NA NA +MJ052929 15-Pimarene-9,19-diol; ent-form, 19-Pentanoyl C25H42O3 390.313395 NA MeJP NA NA +MJ052930 2-(4-Hydroxyphenyl)ethanol; 1-O-Heptadecanoyl C25H42O3 390.313395 NA MeJP NA NA +MJ052931 2-Hydroxy-6-octadecyl-1,4-benzoquinone; Me ether C25H42O3 390.313395 NA MeJP NA NA +MJ052932 3,7,12-Trihydroxy-25-homochol-24-ene C25H42O3 390.313395 NA MeJP NA NA +MJ052933 3,7,12-Trihydroxyhomochol-4-ene C25H42O3 390.313395 NA MeJP NA NA +MJ052934 3-(11-Eicosynyl)-4,5-dihydro-4-hydroxy-5-methyl-2(3H)-furanone, 19',20'-Didehydro C25H42O3 390.313395 NA MeJP NA NA +MJ052935 3-(6,9-Eicosadienyl)-5-hydroxy-5-methyl-2(5H)-furanone C25H42O3 390.313395 NA MeJP NA NA +MJ052936 4-Hydroxy-3-(3-methyl-2-butenyl)-6-pentadecyl-2H-pyran-2-one C25H42O3 390.313395 NA MeJP NA NA +MJ052937 5-Hydroxy-3,4-dinorcholestane-2,5-olide C25H42O3 390.313395 NA MeJP NA NA +MJ052938 5-Hydroxy-5-(2-oxo-10-nonadecenyl)-2-cyclohexen-1-one C25H42O3 390.313395 NA MeJP NA NA +MJ052939 6-Heptadecyl-1,2,4-benzenetriol; 10',11'-Didehydro(Z-), 1,2-di-Me ether C25H42O3 390.313395 NA MeJP NA NA +MJ052940 6-Heptadecyl-1,2,4-benzenetriol; 10',11'-Didehydro(Z-), 2,4-di-Me ether C25H42O3 390.313395 NA MeJP NA NA +MJ052941 7,13-Labdadiene-3,15-diol, 15-(3-Methylbutanoyl) C25H42O3 390.313395 NA MeJP NA NA +MJ052942 Capiquinones; Capiquinone B C25H42O3 390.313395 NA MeJP NA NA +MJ052943 Goniothalamusin C25H42O3 390.313395 NA MeJP NA NA +MJ052944 3,20-Diaminopregn-5-ene-16,18-diol, N3,N20,N20-Tri-Me C24H42N2O2 390.324628 NA MeJP NA NA +MJ052945 14,17,20-Hexacosatrienoic acid C26H46O2 390.34978 NA MeJP NA NA +MJ052946 17,20,23-Hexacosatrienoic acid C26H46O2 390.34978 NA MeJP NA NA +MJ052947 5,9,17-Hexacosatrienoic acid C26H46O2 390.34978 NA MeJP NA NA +MJ052948 5,9,19-Hexacosatrienoic acid C26H46O2 390.34978 NA MeJP NA NA +MJ052949 3,20-Diaminopregnan-4-ol, N3,N3,N20,N20-Tetra-Me C25H46N2O 390.361014 NA MeJP NA NA +7688 ACE inhibitor from ovalbumin FGRCVSP 390.671 MH2+ Inhouse_peptide NA peptide +MJ052950 2,6-Diiodo-4-nitrophenol C6H3I2NO3 390.820229 NA MeJP NA NA +MJ052951 Antimony thioglycollamide C6H12N3O3S3Sb 390.907896 NA MeJP NA NA +MJ052952 Eudistomin H; 7-Bromo C15H11Br2N3 390.931972 NA MeJP NA NA +MJ052953 2-Amino-3-[[5-deoxy-5-(dimethylarsinoyl)ribofuranosyl]oxy]-1-propanesulfonic acid; (2S)-?-D-form C10H22AsNO8S 391.028208 NA MeJP NA NA +MJ052954 1-[(Hydroxymethyl)propyl] glucosinolate C11H21NO10S2 391.060687 NA MeJP NA NA +MJ052955 2-Hydroxy-2-methylpropyl glucosinolate C11H21NO10S2 391.060687 NA MeJP NA NA +MJ052956 3-Hydroxybutyl glucosinolate C11H21NO10S2 391.060687 NA MeJP NA NA +MJ052957 4-Hydroxybutyl glucosinolate C11H21NO10S2 391.060687 NA MeJP NA NA +C08408 Glucoconringiin C11H21NO10S2 391.0607 NA KEGG NA NA +MJ052958 Tuvatidine C10H17N9O2S3 391.066732 NA MeJP NA NA +MJ052959 Benzmalecene C20H19Cl2NO3 391.074198 NA MeJP NA NA +MJ052960 Antibiotic A 33853 C20H13N3O6 391.080435 NA MeJP NA NA +MJ052961 Mipitroban C19H19Cl2N3O2 391.085432 NA MeJP NA NA +MJ052962 7-Chloro-4-hydroxy-3-[3-[(4-methoxyphenyl)methyl]phenyl]-2(1H)-quinolone C23H18ClNO3 391.097521 NA MeJP NA NA +MJ052963 Tonabersat C20H19ClFNO4 391.098664 NA MeJP NA NA +MJ052964 Spallidamine C22H17NO6 391.105587 NA MeJP NA NA +MJ052965 Macarpine C22H18NO6(+) 391.105587 NA MeJP NA NA +CJneg0583 ?-hydroxyhippuric acid [(2M-H)]- (13C) C1713CH17N2O8 391.110225 C18rt(min)=4.99 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0584 p-Hydroxyhippuric acid [(2M-H)]- (13C) C1713CH17N2O8 391.110225 C18rt(min)=4.85 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0583 ?-hydroxyhippuric acid [(2M-H)]- (13C) C1713CH17N2O8 391.110225 C18rt(min)=4.99 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0584 p-Hydroxyhippuric acid [(2M-H)]- (13C) C1713CH17N2O8 391.110225 C18rt(min)=4.85 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +3354 Antithrombotic peptide DEE 391.1109 celiac toxic Inhouse_peptide NA peptide +PJ000807 DEE C14H21N3O10 391.1227 NA PeJP NA NA +C10686 Glycoperine C19H21NO8 391.1267 NA KEGG NA NA +MJ052966 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,8-Di-Me ether, 7-O-?-L-rhamnopyranoside C19H21NO8 391.126716 NA MeJP NA NA +PJ000808 GSND C13H21N5O9 391.1339 NA PeJP NA NA +PJ000809 GGGSD C13H21N5O9 391.134 NA PeJP NA NA +MJ052967 Dimetotiazine C19H25N3O2S2 391.138818 NA MeJP NA NA +MJ052968 8-Acetonyldihydrochelerythrine; O9-De-Me C23H21NO5 391.141972 NA MeJP NA NA +MJ052969 Dihydrochelerythrinyl-8-acetaldehyde C23H21NO5 391.141972 NA MeJP NA NA +MJ052970 5-Ethoxychelerythrine C23H22NO5(+) 391.141972 NA MeJP NA NA +C08337 Proacaciberin C16H25NO10 391.1478 NA KEGG NA NA +MJ052971 2-Hydroxy-3-methyl-3-butenoic acid, Nitrile, [?-L-arabinopyranosyl(1?6)-?-D-glucopyranoside] C16H25NO10 391.147846 NA MeJP NA NA +PJ000810 NQM C14H25N5O6S 391.1526 NA PeJP NA NA +MJ052972 Euxylophorine; 10-Methoxy C22H21N3O4 391.153206 NA MeJP NA NA +MJ052973 Oxazinine 1 C22H21N3O4 391.153206 NA MeJP NA NA +C11622 Tetramethylrosamine C24H24ClN2O 391.1577 NA KEGG NA NA +C11623 Triton X-100 C14H22O 391.1577 NA KEGG NA NA +C11624 Tween 20 C18H34O6 391.1577 NA KEGG NA NA +C11625 Tween 80 C24H44O6 391.1577 NA KEGG NA NA +MJ052974 Buphacetine C20H25NO7 391.163102 NA MeJP NA NA +MJ052975 Erucifoline; Ac C20H25NO7 391.163102 NA MeJP NA NA +MJ052976 Longanine; 4-Me ether, 16-oxo C20H25NO7 391.163102 NA MeJP NA NA +MJ052977 Narcissidine; O3-Ac, N-oxide C20H25NO7 391.163102 NA MeJP NA NA +PJ000811 CNR C13H25N7O5S 391.1638 NA PeJP NA NA +MJ052978 Linopirdine C26H21N3O 391.168462 NA MeJP NA NA +C13780 Linopirdine C26H21N3O 391.1685 NA KEGG NA NA +C13781 Teicoplanin A2 C78H78Cl2N9O32R 391.1685 NA KEGG NA NA +PJ000812 GSTQ C14H25N5O8 391.1703 NA PeJP NA NA +PJ000813 PEF C19H25N3O6 391.1744 NA PeJP NA NA +C02886 S-Hexyl-glutathione C16H29N3O6S 391.1777 NA KEGG NA NA +PJ000814 LEM C16H29N3O6S 391.1777 NA PeJP NA NA +MJ052979 3,4-Dihydro-5-(4-hydroxy-5-methoxy-2-methyl-1-naphthalenyl)-8-hydroxy-6-methoxy-1,3-dimethylisoquinoline C24H25NO4 391.178358 NA MeJP NA NA +MJ052980 Ancistrocongolensine C24H25NO4 391.178358 NA MeJP NA NA +MJ052981 Ancistroheynine A C24H25NO4 391.178358 NA MeJP NA NA +MJ052982 Flavoxate C24H25NO4 391.178358 NA MeJP NA NA +MJ052983 Glycofoline C24H25NO4 391.178358 NA MeJP NA NA +MJ052984 Severifoline; 11-Hydroxy, N-Me C24H25NO4 391.178358 NA MeJP NA NA +MJ052985 Tylohirsutinine C24H25NO4 391.178358 NA MeJP NA NA +MJ052986 Yaoundamine A C24H25NO4 391.178358 NA MeJP NA NA +C07809 Flavoxate C24H25NO4 391.1784 NA KEGG NA NA +C07810 Transferred to D00687 C24H25NO4 391.1784 NA KEGG NA NA +7794 Antioxidant peptide derived from egg ovalbumin VHH 391.184 antioxidative Inhouse_peptide NA peptide +7985 synthetic peptide HVH 391.184 hypotensive Inhouse_peptide NA peptide +MJ052987 Estatin A C18H25N5O5 391.185568 NA MeJP NA NA +PJ000815 NKM C15H29N5O5S 391.189 NA PeJP NA NA +MJ052988 Neoechinulin C23H25N3O3 391.189591 NA MeJP NA NA +PJ000816 VHH C17H25N7O4 391.1968 NA PeJP NA NA +MJ052989 2-[(Cyclohexylmethylene)hydrazino]adenosine C17H25N7O4 391.196802 NA MeJP NA NA +2627 synthetic fr,of human beta-CN (50-52) ACE inhibitor IYP 391.199 NA Inhouse_peptide NA peptide +7550 ACE inhibitor LYP 391.199 antioxidative Inhouse_peptide NA peptide +7803 ACE inhibitor from as2-casein IPY 391.199 ACE inhibitor Inhouse_peptide NA peptide +MJ052990 Ipalbidine, O-?-D-Glucopyranoside C21H29NO6 391.199487 NA MeJP NA NA +MJ052991 Ipanguline D3; 2''-Epimer, 7-O-(phenylacetyl) C21H29NO6 391.199487 NA MeJP NA NA +MJ052992 Ipanguline D3; 7-O-(Phenylacetyl) C21H29NO6 391.199487 NA MeJP NA NA +MJ052993 Roquefortine; 3,12-Dihydro C22H25N5O2 391.200825 NA MeJP NA NA +MJ052994 Biriperone C24H26FN3O 391.20599 NA MeJP NA NA +PJ000817 GSTK C15H29N5O7 391.2067 NA PeJP NA NA +PJ000818 PLY C20H29N3O5 391.2107 NA PeJP NA NA +MJ052995 Dioncophylline A; Atropisomer, N-Me C25H29NO3 391.214743 NA MeJP NA NA +MJ052996 Dioncophylline A; Me ether C25H29NO3 391.214743 NA MeJP NA NA +MJ052997 Dioncophylline A; N-Me C25H29NO3 391.214743 NA MeJP NA NA +MJ052998 Flusoxolol C22H30FNO4 391.215886 NA MeJP NA NA +MJ052999 Tauret C22H33NO3S 391.218114 NA MeJP NA NA +MJ053000 Isoechinulin A C24H29N3O2 391.225977 NA MeJP NA NA +MJ053001 Neoechinulin D C24H29N3O2 391.225977 NA MeJP NA NA +MJ053002 4-Methyl-19(N)-aconitene-1,8,14,16,18-pentol, O1,O16,O18-Tri-Me C22H33NO5 391.235873 NA MeJP NA NA +MJ053003 Antibiotic BE 54476 C22H33NO5 391.235873 NA MeJP NA NA +MJ053004 Hatomamicin; 4,4a-Dihydro C22H33NO5 391.235873 NA MeJP NA NA +MJ053005 Heteratisine C22H33NO5 391.235873 NA MeJP NA NA +MJ053006 Karakoline; N-De-Et, O14-Ac C22H33NO5 391.235873 NA MeJP NA NA +MJ053007 Monticamine C22H33NO5 391.235873 NA MeJP NA NA +MJ053008 Nileprost C22H33NO5 391.235873 NA MeJP NA NA +MJ053009 Parvistemonine C22H33NO5 391.235873 NA MeJP NA NA +MJ053010 Pentagydine C22H33NO5 391.235873 NA MeJP NA NA +MJ053011 Purpuride C22H33NO5 391.235873 NA MeJP NA NA +MJ053012 Tuberostemonine; N-Oxide C22H33NO5 391.235873 NA MeJP NA NA +C08686 Heteratisine C22H33NO5 391.2359 NA KEGG NA NA +7807 ACE inhibitor from caprine b-Lg LLF 391.236 ACE inhibitor Inhouse_peptide NA peptide +MJ053013 Toquizine C23H29N5O 391.23721 NA MeJP NA NA +MJ053014 Fortimicin A; 3-O-De-Me C16H33N5O6 391.243083 NA MeJP NA NA +MJ053015 Fortimicin AN C16H33N5O6 391.243083 NA MeJP NA NA +MJ053016 Fortimicin B; O-De-Me, 2'-N-glycyl C16H33N5O6 391.243083 NA MeJP NA NA +MJ053017 Fortimicin D C16H33N5O6 391.243083 NA MeJP NA NA +PJ000819 LLF C21H33N3O4 391.2471 NA PeJP NA NA +C15163 17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol C26H33NO2 391.2511 NA KEGG NA NA +MJ053018 Fenretinide C26H33NO2 391.251129 NA MeJP NA NA +MJ053019 Ethylcyclononylprodigiosin C25H33N3O 391.262362 NA MeJP NA NA +MJ053020 Metacycloprodigiosin C25H33N3O 391.262362 NA MeJP NA NA +MJ053021 Methylcyclodecylprodigiosin C25H33N3O 391.262362 NA MeJP NA NA +MJ053022 Streptorubin B C25H33N3O 391.262362 NA MeJP NA NA +MJ053023 Vitamycin A C25H33N3O 391.262362 NA MeJP NA NA +MJ053024 19-Nor-4-dehydrocassaidine C23H37NO4 391.272258 NA MeJP NA NA +MJ053025 7-[3-[(Cyclopentylhydroxyacetyl)amino]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-5-heptenoic acid C23H37NO4 391.272258 NA MeJP NA NA +MJ053026 Karakoline; O1-Me C23H37NO4 391.272258 NA MeJP NA NA +MJ053027 Karakoline; O14-Me C23H37NO4 391.272258 NA MeJP NA NA +MJ053028 Norcassaidide; 7-Ketone C23H37NO4 391.272258 NA MeJP NA NA +MJ053029 4-Hydroxy-3-methyl-2-butenoic acid, O-(14Z-Eicosenoyl), nitrile C25H45NO2 391.345029 NA MeJP NA NA +MJ053030 Methyl 3-alkylpyrrole-2-carboxylates; Methyl 3-nonadecyl-1H-pyrrole-2-carboxylate C25H45NO2 391.345029 NA MeJP NA NA +3726 NA YPFGFPG 391.6725 MH2+ Inhouse_peptide NA peptide +3128 exomorphin from bovine alpha s1-casein fr:90-95 RYLGYL 391.708 MH2+ Inhouse_peptide NA peptide +3294 bovine kappa-casein fr, 106-112 MAIPPKK 391.7267 MH2+ Inhouse_peptide NA peptide +C18123 2,3,3',4,4',5,5'-Heptachlorobiphenyl C12H3Cl7 391.8054 NA KEGG NA NA +C17104 Costatone C10H12Br2Cl2O2 391.8581 NA KEGG NA NA +MJ053031 Costatone C10H12Br2Cl2O2 391.85811 NA MeJP NA NA +MJ053032 Aspirochlorine; Trisulfide analogue C12H9ClN2O5S3 391.936211 NA MeJP NA NA +MJ053033 Rubrolide E; 3''-Bromo, 2-chloro C17H10BrClO4 391.945099 NA MeJP NA NA +MJ053034 Thiocarbarsone C11H13AsN2O5S2 391.948184 NA MeJP NA NA +MJ053035 Brotizolam C15H10BrClN4S 391.949807 NA MeJP NA NA +MJ053036 (1-Thioglucopyranosato)gold C6H11AuO5S 391.99927 NA MeJP NA NA +C08193 Aurothioglucose C6H11AuO5S 391.9993 NA KEGG NA NA +C08194 Transferred to D00992 C6H11AuO5S 391.9993 NA KEGG NA NA +MJ053037 Molokaiamine; N2',N3'',N3''-Tri-Me C14H22Br2N2O 392.009888 NA MeJP NA NA +MJ053038 3-[5-Deoxy-5-(dimethylarsinyl)ribofuranosyloxy]-2-hydroxy-1-propanesulfonic acid; ?-D-form C10H21AsO9S 392.012224 NA MeJP NA NA +FL1CCBNSH001 3'-Bromo-6'-hydroxy-2',4,4'-trimethoxychalcone C18H17BrO5 392.02593 860000-36-8 knapsack NA NA +MJ053039 Metaclazepam C18H18BrClN2O 392.029103 NA MeJP NA NA +C11755 Epithienamycin E C13H16N2O8S2 392.0348 NA KEGG NA NA +C11756 6-Methylpenicillin C10H13N2O4SR 392.0348 NA KEGG NA NA +C11757 Acyl-D-Ala-D-Ala C7H11N2O4R 392.0348 NA KEGG NA NA +MJ053040 Thienamycin; 6,8-Diepimer, 1',2'E-didehydro, N-Ac, O-sulfate C13H16N2O8S2 392.034806 NA MeJP NA NA +MJ053041 Thienamycin; 6,8-Diepimer, 1',2'Z-didehydro, N-Ac, O-sulfate C13H16N2O8S2 392.034806 NA MeJP NA NA +JH223 Chlorogenic acid [M+K]+ NA 392.0509 11.5 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH223 Chlorogenic acid [M+K]+ NA 392.0509 11.5 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH223 Chlorogenic acid [M+K]+ NA 392.0509 11.5 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH223 Chlorogenic acid [M+K]+ NA 392.0509 11.5 Inhousejuil11 NA NA +MJ053042 Hypoprotocetraric acid; 2-Chloro, Me ester C19H17ClO7 392.06628 NA MeJP NA NA +MJ053043 Agrocinopin A; De-O-glucopyranosyl C11H21O13P 392.071977 NA MeJP NA NA +FL5FGGNS0001 5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone C18H16O10 392.07434 99816-52-1 knapsack NA NA +MJ053044 1,3,6,7-Tetrahydroxy-2-?-D-xylopyranosylxanthone C18H16O10 392.074346 NA MeJP NA NA +MJ053045 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,6,8-Tri-Me ether C18H16O10 392.074346 NA MeJP NA NA +FL3FA9NR0001 Hosloppin;5-Hydroxy-6-(5-hydroxy-6-methyl-4-oxo-4H-pyran-3-yl)-7-methoxy-2-phenyl-4H-1-benzopyran-4-one C22H16O7 392.0896 163597-62-4 knapsack NA NA +FL5FAANC0001 8-C-p-Hydroxybenzylkaempferol C22H16O7 392.0896 163399-33-5 knapsack NA NA +MJ053046 4',5,7-Trihydroxy-8-(4-hydroxybenzyl)flavone; 3'-Hydroxy C22H16O7 392.089602 NA MeJP NA NA +MJ053047 4',5,7-Trihydroxy-8-(4-hydroxybenzyl)flavone; 3-Hydroxy C22H16O7 392.089602 NA MeJP NA NA +MJ053048 ?-Pyrromycinone C22H16O7 392.089602 NA MeJP NA NA +MJ053049 Antibiotic BE 26554A C22H16O7 392.089602 NA MeJP NA NA +MJ053050 Antibiotic S 383A C22H16O7 392.089602 NA MeJP NA NA +MJ053051 Hoslundin; 3''-O-De-Me C22H16O7 392.089602 NA MeJP NA NA +MJ053052 Resistoflavine C22H16O7 392.089602 NA MeJP NA NA +MJ053053 3-Chloro-8-hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) C20H21ClO6 392.102666 NA MeJP NA NA +MJ053054 Haiderin; 8-Me ether C20H21ClO6 392.102666 NA MeJP NA NA +MJ053055 Radicicol; Di-Me ether C20H21ClO6 392.102666 NA MeJP NA NA +MJ053056 Peniophorin; 4',4''-Dideoxy C26H16O4 392.104859 NA MeJP NA NA +MJ053057 1,2,4-Benzenetriol; 1-O-(6-O-Benzoyl-?-D-allopyranoside) C19H20O9 392.110732 NA MeJP NA NA +MJ053058 1,2,4-Benzenetriol; 1-O-(6-O-Benzoyl-?-D-glucopyranoside) C19H20O9 392.110732 NA MeJP NA NA +MJ053059 1,2,4-Benzenetriol; 4-O-(6-O-Benzoyl-?-D-glucopyranoside) C19H20O9 392.110732 NA MeJP NA NA +MJ053060 1,4-Benzenediol; O-[4-Hydroxybenzoyl-(?6)-?-D-glucopyranoside] C19H20O9 392.110732 NA MeJP NA NA +MJ053061 Arbutin; 6-O-(4-Hydroxybenzoyl) C19H20O9 392.110732 NA MeJP NA NA +MJ053062 Cervicarcin C19H20O9 392.110732 NA MeJP NA NA +MJ053063 Clauslactone B; 9'-Hydroxy C19H20O9 392.110732 NA MeJP NA NA +MJ053064 Oxymycousnine C19H20O9 392.110732 NA MeJP NA NA +CJneg0585 ?-hydroxyhippuric acid [(2M-H)]- (18O) C18H17N2O718O 392.111125 C18rt(min)=4.99 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0585 ?-hydroxyhippuric acid [(2M-H)]- (18O) C18H17N2O718O 392.111125 C18rt(min)=4.99 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C06165 Macarpine C22H18NO6 392.1134 NA KEGG NA NA +MJ053065 Macarpine C22H18NO6 392.113412 NA MeJP NA NA +MJ053066 Chiriquitoxin C13H20N4O10 392.117942 NA MeJP NA NA +PJ000820 GSDD C13H20N4O10 392.118 NA PeJP NA NA +CJpos0785 1,3-dimethyluric acid [(2M+H)]+ C14H17N8O6 392.118775 C18rt(min)=4.67 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0785 1,3-dimethyluric acid [(2M+H)]+ C14H17N8O6 392.118775 C18rt(min)=4.67 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +PJ000821 APCC C14H24N4O5S2 392.1188 NA PeJP NA NA +CJneg0586 1,3-dimethyluric acid [(2M-H)]- C14H15N8O6 392.119825 C18rt(min)=4.67 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0587 1,7-dimethyluric acid [(2M-H)]- C14H15N8O6 392.119825 C18rt(min)=4.96 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0586 1,3-dimethyluric acid [(2M-H)]- C14H15N8O6 392.119825 C18rt(min)=4.67 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0587 1,7-dimethyluric acid [(2M-H)]- C14H15N8O6 392.119825 C18rt(min)=4.96 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +FL3F19NF0006 (-)-Semiglabrin;Semiglabrin;(7aS,10R,10aR)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one C23H20O6 392.12598 51787-32-7 knapsack NA NA +FL3F19NF0008 (-)-Pseudosemiglabrin;Pseudosemiglabrin;(7aS,10S,10aR)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one C23H20O6 392.12598 75444-25-6 knapsack NA NA +FL3FA9ND0001 Stachyoidin;(8aR,11aR)-rel-(-)-8a,11a-Dihydro-5-methoxy-10,10-dimethyl-2-phenyl-4H,8H-furo[3,2-d]benzo[1,2-b:3,4-b']dipyran-4,11(10H)-dione C23H20O6 392.12598 35820-34-9 knapsack NA NA +FL3FA9NR0002 Hookerianin;8-(2,5-Dihydro-5,5-dimethyl-2-oxo-3-furanyl)-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one C23H20O6 392.12598 182232-34-4 knapsack NA NA +FLIFWXNF0003 Dehydrorotenone;Didehydrorotenone C23H20O6 392.12598 30990-44-4 knapsack NA NA +FLIFWXNP0002 Dehydrodeguelin,7a,13a-Didehydrodeguelin C23H20O6 392.12598 3466-23-7 knapsack NA NA +MJ053067 2''-Isopropenyl-3''-hydroxydihydrofuranodemethylcalabaxanthone C23H20O6 392.125988 NA MeJP NA NA +MJ053068 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-(4-Hydroxycinnamoyl) C23H20O6 392.125988 NA MeJP NA NA +MJ053069 3-Hydroxymethyl-3,5-cyclohexadiene-1,2-diol, 1,1'-Dibenzoyl, 2-Ac C23H20O6 392.125988 NA MeJP NA NA +MJ053070 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-Benzoyl C23H20O6 392.125988 NA MeJP NA NA +MJ053071 Apollinine; 5-Methoxy C23H20O6 392.125988 NA MeJP NA NA +MJ053072 Cudraxanthone A; 3-Hydroxy C23H20O6 392.125988 NA MeJP NA NA +MJ053073 Deguelin, 7a,13a-Didehydro C23H20O6 392.125988 NA MeJP NA NA +MJ053074 Dehydrorotenone C23H20O6 392.125988 NA MeJP NA NA +MJ053075 Lomatin, O-(E)-4-Hydroxycinnamoyl C23H20O6 392.125988 NA MeJP NA NA +MJ053076 Lomatin, O-(Z)-4-Hydroxycinnamoyl C23H20O6 392.125988 NA MeJP NA NA +MJ053077 Oxymitrone C23H20O6 392.125988 NA MeJP NA NA +MJ053078 Pyranojacareubin C23H20O6 392.125988 NA MeJP NA NA +MJ053079 Rheediaxanthone A C23H20O6 392.125988 NA MeJP NA NA +MJ053080 Semiglabrinol; 5''-Epimer, Ac C23H20O6 392.125988 NA MeJP NA NA +MJ053081 Semiglabrinol; Ac C23H20O6 392.125988 NA MeJP NA NA +MJ053082 Stachyoidin C23H20O6 392.125988 NA MeJP NA NA +MJ053083 Tachrosin C23H20O6 392.125988 NA MeJP NA NA +MJ053084 Thwaitesixanthone; 1'-Hydroxy C23H20O6 392.125988 NA MeJP NA NA +MJ053085 Thwaitesixanthone; 5-Hydroxy C23H20O6 392.125988 NA MeJP NA NA +MJ053086 Cachineside IV C16H24O11 392.131861 NA MeJP NA NA +MJ053087 Caryoptosidic acid C16H24O11 392.131861 NA MeJP NA NA +MJ053088 Formosinoside C16H24O11 392.131861 NA MeJP NA NA +MJ053089 Shanzhiside C16H24O11 392.131861 NA MeJP NA NA +MJ053090 Tuliposide D; 3'S-Hydroxy C16H24O11 392.131861 NA MeJP NA NA +MJ053091 Tuliposide F C16H24O11 392.131861 NA MeJP NA NA +C17066 Shanzhiside C16H24O11 392.1319 NA KEGG NA NA +MJ053092 Riboflavine; ?7-Hydroxy C17H20N4O7 392.133199 NA MeJP NA NA +MJ053093 Fenflumizol C23H18F2N2O2 392.133634 NA MeJP NA NA +PJ000822 NEM C14H24N4O7S 392.1366 NA PeJP NA NA +C11173 SN-38 C22H20N2O5 392.1372 NA KEGG NA NA +MJ053094 Reglitazar C22H20N2O5 392.137221 NA MeJP NA NA +MJ053095 Chloroprednisone C21H25ClO5 392.139051 NA MeJP NA NA +MJ053096 Cloprednol C21H25ClO5 392.139051 NA MeJP NA NA +C09443 Eupatoroxin C20H24O8 392.1471 NA KEGG NA NA +C09447 10-epi-Eupatoroxin C20H24O8 392.1471 NA KEGG NA NA +C09577 Vernodalol C20H24O8 392.1471 NA KEGG NA NA +MJ053097 1,10:2,3-Diepoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) C20H24O8 392.147117 NA MeJP NA NA +MJ053098 1,10;2,3;4,15-Triepoxy-5,8-dihydroxy-11(13)-germacren-12,6-olide, 8-Angeloyl C20H24O8 392.147117 NA MeJP NA NA +MJ053099 1,2-Epoxy-8,10,15-trihydroxy-3-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H24O8 392.147117 NA MeJP NA NA +MJ053100 1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 8?-Hydroxy, 9-angeloyl C20H24O8 392.147117 NA MeJP NA NA +MJ053101 1,5,8-Trihydroxy-14-oxo-4(15),9,11(13)-germacratrien-12,6-olide, 4?,15-Epoxide, O1-Me, 8-O-(2-methyl-2-propenoyl) C20H24O8 392.147117 NA MeJP NA NA +MJ053102 1,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 1-Hydroperoxide, 8-(4-hydroxy-2-hydroxymethyl-2E-butenoyl) C20H24O8 392.147117 NA MeJP NA NA +MJ053103 1,8-Dihydroxy-3,9,11(13)-guaiatrien-12,6-olide, 1-Hydroperoxide, 8-(4-hydroxy-2-hydroxymethyl-2E-butenoyl) C20H24O8 392.147117 NA MeJP NA NA +MJ053104 1-(2,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane; 2-O-?-D-Glucopyranoside C20H24O8 392.147117 NA MeJP NA NA +MJ053105 10,14-Epoxy-2,8,9-trihydroxy-3,11(13)-guaiadien-12,6-olide, 3?,4?-Epoxide, 8-tigloyl C20H24O8 392.147117 NA MeJP NA NA +MJ053106 10,14-Epoxy-2,8,9-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl) C20H24O8 392.147117 NA MeJP NA NA +MJ053107 12,15-Dihydroxy-3,13-clerodadiene-16,15:18,6-diolid-17-oic acid C20H24O8 392.147117 NA MeJP NA NA +MJ053108 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-?-L-Rhamnopyranoside C20H24O8 392.147117 NA MeJP NA NA +MJ053109 3,10-Epoxy-3,8,9-trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H24O8 392.147117 NA MeJP NA NA +MJ053110 3,10-Epoxy-5,8,9-trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H24O8 392.147117 NA MeJP NA NA +MJ053111 3,10-Epoxy-8,13,15-trihydroxy-1-oxo-2,4-germacradien-12,6-olide, 8-(2-Methyl-2-propenoyl), 13-Me ether C20H24O8 392.147117 NA MeJP NA NA +MJ053112 3,13:11,12:15,16-Triepoxy-2,3-dihydroxy-6-oxo-4,7-cembradien-20,10-olide C20H24O8 392.147117 NA MeJP NA NA +MJ053113 3,3',4,4',8,8',9-Heptahydroxy-7,9'-epoxylignan; 3,3'-Di-Me ether C20H24O8 392.147117 NA MeJP NA NA +MJ053114 3,4-Epoxy-2,5,8,9-tetrahydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-Angeloyl C20H24O8 392.147117 NA MeJP NA NA +MJ053115 3,4:10,14-Diepoxy-2,5,8-trihydroxy-11(13)-guaien-12,6-olide, 8-Angeloyl C20H24O8 392.147117 NA MeJP NA NA +MJ053116 4,18:7,20-Diepoxy-15,19,20-trihydroxy-6-oxo-11-cleroden-16,15-olide C20H24O8 392.147117 NA MeJP NA NA +MJ053117 6-Hydroxychaparrin; 6?-form, 13,18-Didehydro, 2-ketone C20H24O8 392.147117 NA MeJP NA NA +MJ053118 7-Hydroxy-4,9-dioxo-2-decenoic acid, 7-O-(4,9-Dioxo-2E,7E-decadienoyl) C20H24O8 392.147117 NA MeJP NA NA +MJ053119 7-Hydroxyolivil C20H24O8 392.147117 NA MeJP NA NA +MJ053120 8-Hydroxy-2,3-seco-4,11(13)-germacradiene-3,10;12,6-diolid-2-oic acid, Tigloyl C20H24O8 392.147117 NA MeJP NA NA +MJ053121 Ailantinol D C20H24O8 392.147117 NA MeJP NA NA +MJ053122 Anisocoumarin J C20H24O8 392.147117 NA MeJP NA NA +MJ053123 Antibiotic 87-250904F1 C20H24O8 392.147117 NA MeJP NA NA +MJ053124 Bipinnatolide K C20H24O8 392.147117 NA MeJP NA NA +MJ053125 Bis(4-hydroxybenzyl) ether; Mono-?-D-glucopyranoside C20H24O8 392.147117 NA MeJP NA NA +MJ053126 Capenicin C20H24O8 392.147117 NA MeJP NA NA +MJ053127 Karinolide C20H24O8 392.147117 NA MeJP NA NA +MJ053128 Osthenol; O-?-D-Galactopyranoside C20H24O8 392.147117 NA MeJP NA NA +MJ053129 Osthenol; O-?-D-Glucopyranoside C20H24O8 392.147117 NA MeJP NA NA +MJ053130 Salignone K C20H24O8 392.147117 NA MeJP NA NA +MJ053131 Salvifoliolide C20H24O8 392.147117 NA MeJP NA NA +MJ053132 Sisymbrifolin C20H24O8 392.147117 NA MeJP NA NA +MJ053133 Teupestalin A C20H24O8 392.147117 NA MeJP NA NA +MJ053134 Vermiculin C20H24O8 392.147117 NA MeJP NA NA +MJ053135 Vernodalol C20H24O8 392.147117 NA MeJP NA NA +MJ053136 Verrillin C20H24O8 392.147117 NA MeJP NA NA +MJ053137 Vilmorinine C C20H24O8 392.147117 NA MeJP NA NA +PJ000823 CDR C13H24N6O6S 392.1478 NA PeJP NA NA +MJ053138 Thaxtomin A; 3,3''-Dideoxy, N4-de-Me C21H20N4O4 392.148455 NA MeJP NA NA +PJ000824 GMW C18H24N4O4S 392.1518 NA PeJP NA NA +MJ053139 1,1'-Bis(2-hydroxy-3-methylcarbazole) C26H20N2O2 392.152477 NA MeJP NA NA +PJ000825 GSTE C14H24N4O9 392.1543 NA PeJP NA NA +MJ053140 7,8-Dihydroxy-1-methyl-?-carboline; 3,4-Dihydro, O7-Me, 8-O-?-D-Glucopyranoside C19H24N2O7 392.158351 NA MeJP NA NA +FL1DA9NC0004 Anguvetin C24H24O5 392.16237 83109-27-7 knapsack NA NA +FLNAA9NI0002 6-Butyryl-5,7-dihydroxy-8-(3',3'-dimethylallyl)-4-phenylcoumarin C24H24O5 392.16237 54947-82-9 knapsack NA NA +FLNAA9NI0004 Mesuol;5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-isobutyryl-4-phenylcoumarin C24H24O5 392.16237 16981-20-7 knapsack NA NA +MJ053141 1,2-Benzenedicarboxylic acid; Heptyl hydroxynonyl ester C24H24O5 392.162373 NA MeJP NA NA +MJ053142 5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(1-oxobutyl)-4-phenyl-2H-1-benzopyran-2-one C24H24O5 392.162373 NA MeJP NA NA +MJ053143 Anguvetin C24H24O5 392.162373 NA MeJP NA NA +MJ053144 Calabaxanthone C24H24O5 392.162373 NA MeJP NA NA +MJ053145 Mammea A/BC C24H24O5 392.162373 NA MeJP NA NA +MJ053146 Mammea A/BD C24H24O5 392.162373 NA MeJP NA NA +MJ053147 Mesuol C24H24O5 392.162373 NA MeJP NA NA +MJ053148 Wallichin C24H24O5 392.162373 NA MeJP NA NA +MJ053149 Sparfloxacin C19H22F2N4O3 392.165997 NA MeJP NA NA +C07662 Sparfloxacin C19H22F2N4O3 392.166 NA KEGG NA NA +PJ000826 STW C18H24N4O6 392.1696 NA PeJP NA NA +MJ053150 16-Bromo-15-docosene-1,3-diyn-5-one C22H33BrO 392.171478 NA MeJP NA NA +PJ000827 DKM C15H28N4O6S 392.173 NA PeJP NA NA +MJ053151 3,6a,11,14-Tetrahydro-9-methoxy-2-methyl-12H-isoquino[1,2-b]pyrrolo[3,2-f][1,3]benzoxazine-1-carboxylic acid; Et ester C23H24N2O4 392.173607 NA MeJP NA NA +MJ053152 Arenine C23H24N2O4 392.173607 NA MeJP NA NA +C09586 Viguiestenin C21H28O7 392.1835 NA KEGG NA NA +C17054 Picrasin G C21H28O7 392.1835 NA KEGG NA NA +MJ053153 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 3-Ac C21H28O7 392.183503 NA MeJP NA NA +MJ053154 1,6,10-Trihydroxyfuranoeremophilan-9-one, 1-(2-Methylpropanoyl), 6-Ac C21H28O7 392.183503 NA MeJP NA NA +MJ053155 1,6,10-Trihydroxyfuranoeremophilan-9-one, 6-(2-Methylpropanoyl), 1-Ac C21H28O7 392.183503 NA MeJP NA NA +MJ053156 1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 14-(2-Methylpropenoyl), 1-Ac C21H28O7 392.183503 NA MeJP NA NA +MJ053157 1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 14-(2-Methylpropenoyl), 6-Ac C21H28O7 392.183503 NA MeJP NA NA +MJ053158 1,8-Dihydroxy-9-oxo-4,11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 1-Me ether C21H28O7 392.183503 NA MeJP NA NA +MJ053159 3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 1-Me ether, 8-angeloyl C21H28O7 392.183503 NA MeJP NA NA +MJ053160 4,5-Epoxy-8,10,13-trihydroxy-7-guaien-12,6-olide, 13-Me ether, 8-angeloyl C21H28O7 392.183503 NA MeJP NA NA +MJ053161 5,8,10-Trihydroxy-1-oxo-11(13)-germacren-12,6-olide, 5-Deoxy, 8-(2-methylpropenoyl), 10-Ac C21H28O7 392.183503 NA MeJP NA NA +MJ053162 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(2-Methylpropanoyl), 15-Ac C21H28O7 392.183503 NA MeJP NA NA +MJ053163 8,15-Dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-Angeloyl, Me ester C21H28O7 392.183503 NA MeJP NA NA +MJ053164 8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(2-Acetoxymethyl-2-propenoyl) C21H28O7 392.183503 NA MeJP NA NA +MJ053165 8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(2-Methylpropanoyl), 9-Ac C21H28O7 392.183503 NA MeJP NA NA +MJ053166 8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl), 14-Ac C21H28O7 392.183503 NA MeJP NA NA +MJ053167 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Me ether, 8-(2-methylbutanoyl) C21H28O7 392.183503 NA MeJP NA NA +MJ053168 9,12,14-Trihydroxy-3(15)-longipinen-4-one, Tri-Ac C21H28O7 392.183503 NA MeJP NA NA +MJ053169 9,12,14-Trihydroxy-3(15)-longipinen-4-one; 9?-form, Tri-Ac C21H28O7 392.183503 NA MeJP NA NA +MJ053170 9,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(2-Methylpropanoyl), 9-Ac C21H28O7 392.183503 NA MeJP NA NA +MJ053171 Austroeupatorione C21H28O7 392.183503 NA MeJP NA NA +MJ053172 Clementein; 16-Epimer, 4,15-dihydro C21H28O7 392.183503 NA MeJP NA NA +MJ053173 Glaucogenin A; 11?-Hydroxy C21H28O7 392.183503 NA MeJP NA NA +MJ053174 Hancopregnane C21H28O7 392.183503 NA MeJP NA NA +MJ053175 Javanicin Y; 13-Deoxy, 12-Me ether C21H28O7 392.183503 NA MeJP NA NA +MJ053176 Lanugone F; 19-Formyloxy C21H28O7 392.183503 NA MeJP NA NA +MJ053177 Lanugone F; 19-Hydroxy, 7-O-formyl C21H28O7 392.183503 NA MeJP NA NA +MJ053178 Mexoticin, 2'-O-(3-Methylbutanoyl) C21H28O7 392.183503 NA MeJP NA NA +MJ053179 Picrasin B; 6?-Hydroxy C21H28O7 392.183503 NA MeJP NA NA +MJ053180 Picrasin G C21H28O7 392.183503 NA MeJP NA NA +MJ053181 Plagiochiline C; 9?-Acetoxy C21H28O7 392.183503 NA MeJP NA NA +PJ000828 SMR C14H28N6O5S 392.1842 NA PeJP NA NA +PJ000829 SSSL C15H28N4O8 392.1907 NA PeJP NA NA +3643 NA YPFGFR~ 392.1945 MH2+ Inhouse_peptide NA peptide +MJ053182 Cinepazic acid; Et ester C20H28N2O6 392.194736 NA MeJP NA NA +MJ053183 Zoamides; !Zoamide C C21H24N6O2 392.196074 NA MeJP NA NA +MJ053184 Lincomycin B C17H32N2O6S 392.198107 NA MeJP NA NA +MJ053185 Lincomycin; N-De-Me C17H32N2O6S 392.198107 NA MeJP NA NA +FL1C1ANI0001 Abyssinone VI C25H28O4 392.19875 77263-12-8 knapsack NA NA +FL1C1ANI0011 Kanzonol C C25H28O4 392.19875 151135-82-9 knapsack NA NA +FL1C1ANI0012 4,2',4'-Trihydroxy-3',5'-diprenylchalcone C25H28O4 392.19875 63529-05-5 knapsack NA NA +FL1C1ANI0015 4'-Geranyloxy-4,2'-dihydroxychalcone C25H28O4 392.19875 130289-23-5 knapsack NA NA +FL1C1ANI0016 Xanthoangelol C25H28O4 392.19875 62949-76-2 knapsack NA NA +FL1C1ANI0023 Stipulin C25H28O4 392.19875 140614-21-7 knapsack NA NA +FL1C1ANP0018 Artoindonesianin J;Isocycloglabrol;Bis(6'',6''-dimethyl-4'',5''-dihydropyrano)[2'',3'':4',3'][2'',3'':4,3]-2'-hydroxychalcone C25H28O4 392.19875 59870-67-6 knapsack NA NA +FL1C1ANP0019 Bis(6'',6''-dimethyl-4'',5''-dihydropyrano)[2'',3'':4',5'][2'',3'':4,3]-2'-hydroxychalcone C25H28O4 392.19875 216753-67-2 knapsack NA NA +FL1C98NI0001 Flemiwallichin E C25H28O4 392.19875 96657-92-0 knapsack NA NA +FL1CA9NI0007 3'-Geranyl-2',4',6'-trihydroxychalcone C25H28O4 392.19875 73436-02-9 knapsack NA NA +FL1CA9NI0008 3'-Neryl-2',4',6'-trihydroxychalcone C25H28O4 392.19875 140158-52-7 knapsack NA NA +FL1CA9NR0001 Linderachalcone C25H28O4 392.19875 120948-04-1 knapsack NA NA +FL2F19NI0004 7-Prenyloxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone C25H28O4 392.19875 96917-31-6 knapsack NA NA +FL2F1ANI0002 7,4'-Dihydroxy-6,8-di-C-prenylflavanone C25H28O4 392.19875 78316-25-3 knapsack NA NA +FL2F1ANI0005 Abyssinone IV C25H28O4 392.19875 77263-10-6 knapsack NA NA +FL2F1ANI0008 Glabrol C25H28O4 392.19875 59870-65-4 knapsack NA NA +FL2F1ANI0013 Prostratol F;(2S)-7,4'-Dihydroxy-8-geranylflavanone C25H28O4 392.19875 162382-66-3 knapsack NA NA +FL2F1ANP0010 Euchrenone a17;7-Hydroxy-8-prenyl-6'',6''-dimethyldihydropyrano[2'',3'':4',3']flavanone C25H28O4 392.19875 485755-29-1 knapsack NA NA +FL2F1ANP0011 Dorsmanin B;Bis(6'',6''-dimethyldihydropyrano[2'',3'':7,6][2'',3'':4',3'])flavanone C25H28O4 392.19875 211307-30-1 knapsack NA NA +FL2FA9NI0007 5,7-Dihydroxy-8-C-geranylflavanone C25H28O4 392.19875 77222-70-9 knapsack NA NA +FL2FA9NI0009 5-Hydroxy-7-prenyloxy-8-C-prenylflavanone C25H28O4 392.19875 96386-72-0 knapsack NA NA +FL2FA9NI0014 5,7-Dihydroxy-6,8-di-C-prenylflavanone C25H28O4 392.19875 96386-71-9 knapsack NA NA +FL2FA9NI0022 5-Hydroxy-7-O-nerylflavanone C25H28O4 392.19875 - knapsack NA NA +FL2FA9NR0001 Linderatone C25H28O4 392.19875 98155-84-1 knapsack NA NA +FL6F1CNP0001 Kazinol B C25H28O4 392.19875 99624-27-8 knapsack NA NA +FLIC1LNP0002 Hispaglabridin A C25H28O4 392.19875 68978-03-0 knapsack NA NA +FLID1ANI0006 Lespein;3,9-Dihydroxy-6a,10-diprenylpterocarpan C25H28O4 392.19875 51447-95-1 knapsack NA NA +FLID1ANI0007 Lespedezin;10-Geranyl-3,9-dihydroxypterocarpan C25H28O4 392.19875 51581-03-4 knapsack NA NA +FLID1ANI0008 Ficifolinol;3,9-Dihydroxy-2,8-diprenylpterocarpan C25H28O4 392.19875 26992-38-1 knapsack NA NA +FLID1ANI0009 Erythrabyssin II;3,9-Dihydroxy-2,10-diprenylpterocarpan C25H28O4 392.19875 77263-06-0 knapsack NA NA +FLID1CNI0004 Erybraedin C;(6aR,11aR)-3,9-Dihydroxy-4,8-diprenylpterocarpan C25H28O4 392.19875 119269-74-8 knapsack NA NA +FLID1CNI0005 Erybraedin A;4-Prenylphaseollidin;(6aR,11aR)-3,9-Dihydroxy-4,10-diprenylpterocarpan C25H28O4 392.19875 119269-76-0 knapsack NA NA +MJ053186 1,3,8,9-Tetrahydroxy-6-methylanthracene; O3-(3,7-Dimethyl-2,6-octadienyl) C25H28O4 392.198759 NA MeJP NA NA +MJ053187 2',4,4'-Trihydroxy-3',5'-diprenylchalcone C25H28O4 392.198759 NA MeJP NA NA +MJ053188 2',4,4'-Trihydroxy-3,3'-diprenylchalcone C25H28O4 392.198759 NA MeJP NA NA +MJ053189 2',4,4'-Trihydroxy-3,5'-diprenylchalcone C25H28O4 392.198759 NA MeJP NA NA +MJ053190 2',4,4'-Trihydroxy-3,5-diprenylchalcone C25H28O4 392.198759 NA MeJP NA NA +MJ053191 2',4,4'-Trihydroxychalcone; 4'-O-(3,7-Dimethyl-2,6-octadienyl) C25H28O4 392.198759 NA MeJP NA NA +MJ053192 2-(3,7-Dimethyl-2,6-octadienyl)-1,3,8-trihydroxy-6-methyl-9(10H)-anthracenone C25H28O4 392.198759 NA MeJP NA NA +MJ053193 3'-(3,7-Dimethyl-2,6-octadienyl)-2',4',6'-trihydroxychalcone C25H28O4 392.198759 NA MeJP NA NA +MJ053194 3'-Geranyl-4',7-dihydroxyisoflavanone C25H28O4 392.198759 NA MeJP NA NA +MJ053195 3,9-Dihydroxy-2,10-diprenylpterocarpan C25H28O4 392.198759 NA MeJP NA NA +MJ053196 3,9-Dihydroxy-2,8-diprenylpterocarpan C25H28O4 392.198759 NA MeJP NA NA +MJ053197 3,9-Dihydroxy-4,10-diprenylpterocarpan C25H28O4 392.198759 NA MeJP NA NA +MJ053198 3,9-Dihydroxy-4,8-diprenylpterocarpan C25H28O4 392.198759 NA MeJP NA NA +MJ053199 3,9-Dihydroxy-6a,10-diprenylpterocarpan C25H28O4 392.198759 NA MeJP NA NA +MJ053200 3-(3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-6-yl)-1-(3,4-dihydro-7-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-2-propen-1-one C25H28O4 392.198759 NA MeJP NA NA +MJ053201 3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-(2-phenylethenyl)benzoic acid C25H28O4 392.198759 NA MeJP NA NA +MJ053202 4',7-Dihydroxy-3',5'-diprenylflavanone C25H28O4 392.198759 NA MeJP NA NA +MJ053203 4',7-Dihydroxy-3',6-diprenylisoflavanone C25H28O4 392.198759 NA MeJP NA NA +MJ053204 4',7-Dihydroxy-3',8-diprenylflavanone C25H28O4 392.198759 NA MeJP NA NA +MJ053205 4',7-Dihydroxy-6,8-diprenylflavanone C25H28O4 392.198759 NA MeJP NA NA +MJ053206 5,7-Dihydroxy-6,8-diprenylflavanone C25H28O4 392.198759 NA MeJP NA NA +MJ053207 5,7-Dihydroxy-8-geranylflavanone C25H28O4 392.198759 NA MeJP NA NA +MJ053208 5,7-Dihydroxy-8-prenylflavanone, 7-O-(3-Methyl-2-butenyl) C25H28O4 392.198759 NA MeJP NA NA +MJ053209 5,7-Dihydroxyflavanone, 7-O-(3,7-Dimethyl-2,6-octadienyl)(Z-) C25H28O4 392.198759 NA MeJP NA NA +MJ053210 7-Hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-5-(2-phenylethyl)-2H-1-benzopyran-6-carboxylic acid C25H28O4 392.198759 NA MeJP NA NA +MJ053211 7-Hydroxy-8-(3-hydroxy-3-methyl-1-butenyl)flavanone, 7-O-(3-methyl-2-butenyl) C25H28O4 392.198759 NA MeJP NA NA +MJ053212 8-Prenylphaseollinisoflavan C25H28O4 392.198759 NA MeJP NA NA +MJ053213 Albafuran A; 3'-Me ether C25H28O4 392.198759 NA MeJP NA NA +MJ053214 Flemiwallichin E C25H28O4 392.198759 NA MeJP NA NA +MJ053215 Glyinflanin I C25H28O4 392.198759 NA MeJP NA NA +MJ053216 Harunganol A C25H28O4 392.198759 NA MeJP NA NA +MJ053217 Hispaglabridin A C25H28O4 392.198759 NA MeJP NA NA +MJ053218 Ircinolide C25H28O4 392.198759 NA MeJP NA NA +MJ053219 Kazinol B C25H28O4 392.198759 NA MeJP NA NA +MJ053220 Lespedezin C25H28O4 392.198759 NA MeJP NA NA +MJ053221 Linderachalcone C25H28O4 392.198759 NA MeJP NA NA +MJ053222 Linderatone C25H28O4 392.198759 NA MeJP NA NA +MJ053223 Mulberrofuran L; 6-Me ether C25H28O4 392.198759 NA MeJP NA NA +MJ053224 Mulberrofuran N C25H28O4 392.198759 NA MeJP NA NA +MJ053225 Nassauviachromone; 12-Aldehyde C25H28O4 392.198759 NA MeJP NA NA +MJ053226 Nic 12 C25H28O4 392.198759 NA MeJP NA NA +MJ053227 Paratocarpin J, Deoxy C25H28O4 392.198759 NA MeJP NA NA +MJ053228 Prostratol F C25H28O4 392.198759 NA MeJP NA NA +MJ053229 Striatin C25H28O4 392.198759 NA MeJP NA NA +MJ053230 Vismin C25H28O4 392.198759 NA MeJP NA NA +MJ053231 Xanthoangelol C25H28O4 392.198759 NA MeJP NA NA +C08573 Abyssinone VI C25H28O4 392.1988 NA KEGG NA NA +C08846 Mulberrofuran A C25H28O4 392.1988 NA KEGG NA NA +C10425 Hispaglabridin A C25H28O4 392.1988 NA KEGG NA NA +C07413 Paramethasone C22H29FO5 392.1999 NA KEGG NA NA +C15319 9alpha-Fluoro-11beta,17alpha,21-trihydroxy-6alpha-methylpregna-1,4- C22H29FO5 392.1999 NA KEGG NA NA +C15643 Dexamethasone C22H29FO5 392.1999 NA KEGG NA NA +MJ053232 Betamethasone C22H29FO5 392.199902 NA MeJP NA NA +MJ053233 Dexamethasone C22H29FO5 392.199902 NA MeJP NA NA +MJ053234 Flunoprost C22H29FO5 392.199902 NA MeJP NA NA +MJ053235 Fluperolone C22H29FO5 392.199902 NA MeJP NA NA +MJ053236 Paramethasone C22H29FO5 392.199902 NA MeJP NA NA +PJ000830 VQF C19H28N4O5 392.206 NA PeJP NA NA +MJ053237 Edulimide C24H28N2O3 392.209992 NA MeJP NA NA +MJ053238 Naftopidil C24H28N2O3 392.209992 NA MeJP NA NA +PJ000831 AFR C18H28N6O4 392.2172 NA PeJP NA NA +MJ053239 1,12,15-Trihydroxy-16-kauren-19-oic acid, 1-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053240 1,3,7,14-Tetrahydroxy-16-kauren-15-one, 1-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053241 1,3,7,14-Tetrahydroxy-16-kauren-15-one, 3-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053242 1,3-Dihydroxy-8,17-sacculatadien-11,12-olide, 17,18-Dihydro, 17-oxo, 3-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053243 1,7,12,14-Tetrahydroxy-16-kauren-15-one, 12-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053244 1,7,14,20-Tetrahydroxy-16-kauren-15-one, 14-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053245 1,7,14,20-Tetrahydroxy-16-kauren-15-one, 20-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053246 1,7,14,20-Tetrahydroxy-16-kauren-15-one, 7-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053247 11-Hydroxy-15-nor-14-oxo-12-isocopalen-16-oic acid; 11?-form, 12?,13?-Epoxide, Ac, Me ester C22H32O6 392.219888 NA MeJP NA NA +MJ053248 12,20-Epoxy-11,13,20-trihydroxy-3,14-clerodadien-2-one, 11-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053249 13,14-Epoxy-3-hydroxy-15-oxo-8(17)-labden-19-oic acid, Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053250 15,16-Epoxy-7,8,9-trihydroxy-13(16),14-labdadien-6-one, 7-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053251 15,16-Epoxy-8,9,19-trihydroxy-13(16),14-labdadien-7-one, 8-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053252 15,17-Epoxy-6,17-dihydroxy-16-spongianone, 6-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053253 15,17-Epoxy-7,17-dihydroxy-16-spongianone, 7-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053254 16,18-Dihydroxy-3,13-clerodadien-15-oic acid, 18-Aldehyde, 16-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053255 16-Hydroxy-17-oxo-6,13-labdadien-15-oic acid, 17-Carboxylic acid, 16-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053256 16-Kaurene-1,3,6,11,15-pentol, 15-Ketone, 3-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053257 2,18,19-Trihydroxy-3,13-clerodadien-15,16-olide, 19-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053258 2,3,6,11-Tetrahydroxy-16-kauren-15-one, 3-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053259 2,3,6,11-Tetrahydroxy-16-kauren-15-one, 6-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053260 2,3,7,14-Tetrahydroxy-16-kauren-15-one, 3-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053261 2,5,9,10-Tetrahydroxy-3,11-cyclo-4(20)-taxen-13-one, 2-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053262 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 10-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053263 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 9-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053264 2,6,10,14-Phytatetraene-1,18,19-triol, 18,19-Dicarboxylic acid, Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053265 2,6,19-Trihydroxy-8,13-labdadien-15,16-olide, 19-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053266 2,6,19-Trihydroxy-8,13-labdadien-15,16-olide, 6-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053267 2,7-Dihydroxy-3-oxo-1,4(19)-clerodadien-15-oic acid, 7-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053268 3,4,11-Trihydroxy-6-eudesmen-8-one, 3-Angeloyl, 4-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053269 3,4,7-Trihydroxy-11-eudesmen-8-one, 3-Angeloyl, 4-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053270 3,4-Dihydroxy-7(11)-eudesmen-8-one, 7?,11-Epoxide, 3-angeloyl, 4-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053271 3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(2,3-Epoxy-2-methylbutanoyl), 4-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053272 3,4-Dihydroxy-7(11)-eudesmen-8-one, 7?,11-Epoxide, 3-angeloyl, 4-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053273 3,4-Epoxy-6,13-dihydroxy-14-cleroden-20,12-olide, 6-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053274 3,4-Epoxy-7,13-dihydroxy-8(19),15(17)-cembradien-16,14-olide, 13-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053275 3,4-Epoxy-8,13-dihydroxy-6,15(17)-cembradien-16,14-olide, 13-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053276 3,4:18,19-Diepoxy-18,19-dihydroxy-13-cleroden-15,16-olide, 18-Et ether C22H32O6 392.219888 NA MeJP NA NA +MJ053277 3,4:8,11-Diepoxy-7-hydroxy-15(17)-cembren-16,12-olide, Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053278 3,6,11,12-Tetrahydroxy-16-kauren-15-one, 11-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053279 3,7,9,14-Tetrahydroxy-16-kauren-15-one, 3-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053280 4,18-Epoxy-2,6-dihydroxy-13-cleroden-15,16-olide, 6-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053281 4,18-Epoxy-6,19-dihydroxy-13-cleroden-16,15-olide, 19-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053282 4,6,8,9-Daucanetetrol, 6-(4-Hydroxybenzoyl) C22H32O6 392.219888 NA MeJP NA NA +MJ053283 4,6,8,9-Daucanetetrol, 9-(4-Hydroxybenzoyl) C22H32O6 392.219888 NA MeJP NA NA +MJ053284 4,7-Epoxy-3,13-dihydroxy-8(19),15(17)-cembradien-16,14-olide, 3-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053285 4,7-Epoxy-3,13-dihydroxy-8(19),15(17)-cembradien-16,14-olide, 13-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053286 5,8,9-Trihydroxy-10(14)-oplopen-3-one, 5-Ac, 9-angeloyl C22H32O6 392.219888 NA MeJP NA NA +MJ053287 6,11,17,21-Tetrahydroxypregn-4-ene-3,20-dione, 6-Me ether C22H32O6 392.219888 NA MeJP NA NA +MJ053288 6,7,12,16-Tetrahydroxy-8,12-abietadiene-11,14-dione, 7-Et ether C22H32O6 392.219888 NA MeJP NA NA +MJ053289 7,11,12,14-Tetrahydroxy-16-kauren-15-one, 11-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053290 7,11,12,14-Tetrahydroxy-16-kauren-15-one, 14-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053291 7,11,13,19-Tetrahydroxy-16-kauren-15-one, 11-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053292 7,11,14,20-Tetrahydroxy-16-kauren-15-one, 11-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053293 7,11,14,20-Tetrahydroxy-16-kauren-15-one, 20-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053294 7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 1-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053295 7,20-Epoxy-16-kaurene-6,7,11,15-tetrol, 11-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053296 8,12-Epoxy-16,17-dihydroxy-13-labden-15,16-olide, 17-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053297 8,16-Dihydroxy-17-nor-6,13-labdadien-15-oic acid, 16-Ac, 8-formyl C22H32O6 392.219888 NA MeJP NA NA +MJ053298 9,13-Epidioxy-8(14)-abieten-18-oic acid, 3?-Acetoxy C22H32O6 392.219888 NA MeJP NA NA +MJ053299 9,13-Epoxy-18-hydroxy-6-oxo-7-labden-15-oic acid, Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053300 9,13:15,16-Diepoxy-8,15-dihydroxy-7-labdanone, 15-Ketone (lactone), 8-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053301 9,13:15,16-Diepoxy-8,19-dihydroxy-14-labden-7-one, 8-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053302 Elisabetholide C22H32O6 392.219888 NA MeJP NA NA +MJ053303 Fukinolidiol; 1-(2S-Methylbutanoyl), 9-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053304 Fukinolidiol; 9-(3-Methylbutanoyl), 1-Ac C22H32O6 392.219888 NA MeJP NA NA +MJ053305 Kuhistanol C C22H32O6 392.219888 NA MeJP NA NA +MJ053306 Nigakihemiacetal C; 11,12-Methylene ether C22H32O6 392.219888 NA MeJP NA NA +MJ053307 Nigakilactone A; 12-Me ether C22H32O6 392.219888 NA MeJP NA NA +MJ053308 Phlebiachrysoic acid A; 8',9'-Dihydro C22H32O6 392.219888 NA MeJP NA NA +MJ053309 Pregaleuterone C22H32O6 392.219888 NA MeJP NA NA +MJ053310 Secoasbestinin C22H32O6 392.219888 NA MeJP NA NA +MJ053311 Shahamin F; 1?-Hydroxy C22H32O6 392.219888 NA MeJP NA NA +MJ053312 Shahamin F; 1?-Hydroxy C22H32O6 392.219888 NA MeJP NA NA +C09115 Isodomedin C22H32O6 392.2199 NA KEGG NA NA +C17013 Nigakilactone B C22H32O6 392.2199 NA KEGG NA NA +MJ053313 12,12'-Methylenedicytisine C23H28N4O2 392.221226 NA MeJP NA NA +MJ053314 Isokalihinol B C22H33ClN2O2 392.223056 NA MeJP NA NA +MJ053315 Kalihinol A C22H33ClN2O2 392.223056 NA MeJP NA NA +MJ053316 Kalihinol C; 16,17-Dihydro, 16-chloro C22H33ClN2O2 392.223056 NA MeJP NA NA +MJ053317 Kalihinol D C22H33ClN2O2 392.223056 NA MeJP NA NA +7488 ACE inhibitor (fragment of bovine b-LG) VFK 392.23 antioxidative Inhouse_peptide NA peptide +MJ053318 Baciferacin C21H32N2O5 392.231122 NA MeJP NA NA +HMDB07003 CPA(16:0/0:0) C19H37O6P 392.232788 NA HMDB2010 NA NA +MJ053319 6'-Oxo-6,5'-diapo-6-carotenoic acid, Me ester C26H32O3 392.235144 NA MeJP NA NA +MJ053320 Azadirone; 7-Ketone, O-de-Ac C26H32O3 392.235144 NA MeJP NA NA +MJ053321 3,9,13-Megastigmanetriol; 3-O-?-D-Glucopyranoside C19H36O8 392.241018 NA MeJP NA NA +MJ053322 3,9,13-Megastigmanetriol; 9-O-?-D-Glucopyranoside C19H36O8 392.241018 NA MeJP NA NA +MJ053323 Cyclo(prolylvalylprolylvalyl) C20H32N4O4 392.242355 NA MeJP NA NA +PJ000832 VKF C20H32N4O4 392.2424 NA PeJP NA NA +MJ053324 Brinazarone C25H32N2O2 392.246378 NA MeJP NA NA +MJ053325 Moramide C25H32N2O2 392.246378 NA MeJP NA NA +MJ053326 2,16-Dihydroxy-8(17),13-labdadien-15-oic acid, 2-Me ether, 16-Ac C23H36O5 392.256274 NA MeJP NA NA +MJ053327 2,5-Dihydroxy-3-methyl-6-tridecyl-1,4-benzoquinone; 2-Me ether, 5-Ac C23H36O5 392.256274 NA MeJP NA NA +MJ053328 2,5-Dihydroxy-3-methyl-6-tridecyl-1,4-benzoquinone; 5-Me ether, 2-Ac C23H36O5 392.256274 NA MeJP NA NA +MJ053329 5-[1-(2,2-Dimethylcyclopentylidene)ethyl]octahydro-4,4-dimethyl-1,3-isobenzofurandiol; Di-Ac C23H36O5 392.256274 NA MeJP NA NA +MJ053330 7,13-Labdadiene-3,15-diol, 3-Malonyl C23H36O5 392.256274 NA MeJP NA NA +MJ053331 7,13-Thyrsifloranediol, 13-Malonyl C23H36O5 392.256274 NA MeJP NA NA +MJ053332 7-Hydroxy-15-oxo-16-isocopalanoic acid; 7?-form, Ac, Me ester C23H36O5 392.256274 NA MeJP NA NA +MJ053333 9,13-Epoxy-17-hydroxy-7-labden-15-oic acid, Propanoyl C23H36O5 392.256274 NA MeJP NA NA +MJ053334 Compactin?; 4,4a?-Dihydro C23H36O5 392.256274 NA MeJP NA NA +MJ053335 Gracilin A; 9?,11-Dihydro C23H36O5 392.256274 NA MeJP NA NA +MJ053336 Peroxyacarnoic acid A C23H36O5 392.256274 NA MeJP NA NA +MJ053337 Viprostol C23H36O5 392.256274 NA MeJP NA NA +MJ053338 Fortimicin B; N1-(2-Hydroxyethyl) C17H36N4O6 392.263484 NA MeJP NA NA +MJ053339 10'-Apozeaxanthal C27H36O2 392.27153 NA MeJP NA NA +MJ053340 ?-Apo-10'-carotenic acid C27H36O2 392.27153 NA MeJP NA NA +MJ053341 Exochomine C26H36N2O 392.282763 NA MeJP NA NA +MJ053342 2-Heptadecyl-6-hydroxybenzoic acid; 4-Hydroxy C24H40O4 392.292659 NA MeJP NA NA +MJ053343 3,12-Dihydroxycholan-24-oic acid C24H40O4 392.292659 NA MeJP NA NA +MJ053344 3,6-Dihydroxy-2-(1-oxo-11-octadecenyl)-2-cyclohexen-1-one C24H40O4 392.292659 NA MeJP NA NA +MJ053345 3,6-Dihydroxycholan-24-oic acid C24H40O4 392.292659 NA MeJP NA NA +MJ053346 3,7-Dihydroxycholan-24-oic acid C24H40O4 392.292659 NA MeJP NA NA +MJ053347 3-Heptadecyl-2,5-dihydroxybenzoquinone; 5-Me ether C24H40O4 392.292659 NA MeJP NA NA +MJ053348 4,7-Epidioxy-1-nor-16-prenyl-10,14-phytadien-2-oic acid C24H40O4 392.292659 NA MeJP NA NA +MJ053349 7-Labdene-15,17-diol, Di-Ac C24H40O4 392.292659 NA MeJP NA NA +MJ053350 7-Labdene-2,15-diol, 2,15-Di-Ac C24H40O4 392.292659 NA MeJP NA NA +MJ053351 Elasnin C24H40O4 392.292659 NA MeJP NA NA +MJ053352 Muqubilin C24H40O4 392.292659 NA MeJP NA NA +MJ053353 Sigmosceptrellin A C24H40O4 392.292659 NA MeJP NA NA +MJ053354 Sigmosceptrellin E C24H40O4 392.292659 NA MeJP NA NA +MJ053355 3alpha,12alpha-Dihydroxy-5beta-cholanate C24H40O4 392.292659 NA MeJP NA NA +MJ053356 Chenodeoxycholate C24H40O4 392.292659 NA MeJP NA NA +EUR640 Chenodeoxycholic acid F1 392.29266 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +EUR641 Deoxycholic acid,Na salt NA 392.29266 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +HMDB00518 Chenodeoxycholic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00518 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00626 Deoxycholic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00626 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00946 Ursodeoxycholic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00946 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR640 Chenodeoxycholic acid F1 392.29266 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR641 Deoxycholic acid,Na salt NA 392.29266 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR640 Chenodeoxycholic acid F1 392.29266 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR641 Deoxycholic acid,Na salt NA 392.29266 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR640 Chenodeoxycholic acid F1 392.29266 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR641 Deoxycholic acid,Na salt NA 392.29266 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00348 3b,12a-Dihydroxy-5a-cholanoic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00348 HMDB NA NA +HMDB00361 3b,7a-Dihydroxy-5b-cholanoic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00361 HMDB NA NA +HMDB00384 3a,7a-Dihydroxycholanoic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00384 HMDB NA NA +HMDB00411 3a,12b-Dihydroxy-5b-cholanoic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00411 HMDB NA NA +HMDB00438 3b,12a-Dihydroxy-5b-cholanoic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00438 HMDB NA NA +HMDB00478 Allodeoxycholic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00478 HMDB NA NA +HMDB00514 Allochenodeoxycholic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00514 HMDB NA NA +HMDB00518 Chenodeoxycholic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00518 HMDB NA NA +HMDB00626 Deoxycholic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00626 HMDB NA NA +HMDB00664 Isohyodeoxycholic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00664 HMDB NA NA +HMDB00686 Isoursodeoxycholic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00686 HMDB NA NA +HMDB00733 Hyodeoxycholic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00733 HMDB NA NA +HMDB00811 Murocholic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00811 HMDB NA NA +HMDB00946 Ursodeoxycholic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00946 HMDB NA NA +HMDB02451 7beta,12alpha-Dihydroxycholanoic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB02451 HMDB NA NA +HMDB02488 7a,12b-dihydroxy-5b-Cholan-24-oic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB02488 HMDB NA NA +HMDB02536 Isodeoxycholic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB02536 HMDB NA NA +HMDB02585 3b,12b-Dihydroxy-5b-cholanoic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB02585 HMDB NA NA +EUR640 Chenodeoxycholic acid F1 392.29266 identifiés dans standard mixture NuGO HMDB NA NA +EUR641 Deoxycholic acid,Na salt NA 392.29266 identifiés dans standard mixture NuGO HMDB NA NA +EUR640 Chenodeoxycholic acid F1 392.29266 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +EUR641 Deoxycholic acid,Na salt NA 392.29266 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +EUR641 Deoxycholic acid NA 392.29266 393.29986 Inhouse_sept12 NA NA +MetaCyc03339 deoxycholate [deoxycholate;deoxycholic acid;] C24H40O4 392.29266 NA metacyc NA NA +MetaCyc03340 chenodeoxycholate [chenodexycholic acid;3α, 7α-dihydroxy-5β-cholanic acid;] C24H40O4 392.29266 474-25-9 metacyc NA NA +HMDB00518 Chenodeoxycholic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00518 PFEM_hmdb_metabocards_blood NA blood +HMDB00626 Deoxycholic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00626 PFEM_hmdb_metabocards_blood NA blood +HMDB00946 Ursodeoxycholic acid C24H40O4 392.29266 http://www.hmdb.ca/metabolites/HMDB00946 PFEM_hmdb_metabocards_blood NA blood +EUR640 Chenodeoxycholic acid F1 392.29266 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR641 Deoxycholic acid,Na salt NA 392.29266 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR640 Chenodeoxycholic acid F1 392.29266 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +EUR641 Deoxycholic acid,Na salt NA 392.29266 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +HMDB00348 3b,12a-Dihydroxy-5a-cholanoic acid C24H40O4 392.29266 HMDB00348 PFEM_hmdb_metabocards_official NA NA +HMDB00361 3b,7a-Dihydroxy-5b-cholanoic acid C24H40O4 392.29266 HMDB00361 PFEM_hmdb_metabocards_official NA NA +HMDB00384 3a,7a-Dihydroxycholanoic acid C24H40O4 392.29266 HMDB00384 PFEM_hmdb_metabocards_official NA NA +HMDB00411 3a,12b-Dihydroxy-5b-cholanoic acid C24H40O4 392.29266 HMDB00411 PFEM_hmdb_metabocards_official NA NA +HMDB00438 3b,12a-Dihydroxy-5b-cholanoic acid C24H40O4 392.29266 HMDB00438 PFEM_hmdb_metabocards_official NA NA +HMDB00478 Allodeoxycholic acid C24H40O4 392.29266 HMDB00478 PFEM_hmdb_metabocards_official NA NA +HMDB00514 Allochenodeoxycholic acid C24H40O4 392.29266 HMDB00514 PFEM_hmdb_metabocards_official NA NA +HMDB00518 Chenodeoxycholic acid C24H40O4 392.29266 HMDB00518 PFEM_hmdb_metabocards_official NA NA +HMDB00626 Deoxycholic acid C24H40O4 392.29266 HMDB00626 PFEM_hmdb_metabocards_official NA NA +HMDB00664 Isohyodeoxycholic acid C24H40O4 392.29266 HMDB00664 PFEM_hmdb_metabocards_official NA NA +HMDB00686 Isoursodeoxycholic acid C24H40O4 392.29266 HMDB00686 PFEM_hmdb_metabocards_official NA NA +HMDB00733 Hyodeoxycholic acid C24H40O4 392.29266 HMDB00733 PFEM_hmdb_metabocards_official NA NA +HMDB00811 Murocholic acid C24H40O4 392.29266 HMDB00811 PFEM_hmdb_metabocards_official NA NA +HMDB00946 Ursodeoxycholic acid C24H40O4 392.29266 HMDB00946 PFEM_hmdb_metabocards_official NA NA +HMDB02451 7beta,12alpha-Dihydroxycholanoic acid C24H40O4 392.29266 HMDB02451 PFEM_hmdb_metabocards_official NA NA +HMDB02488 7a,12b-dihydroxy-5b-Cholan-24-oic acid C24H40O4 392.29266 HMDB02488 PFEM_hmdb_metabocards_official NA NA +HMDB02536 Isodeoxycholic acid C24H40O4 392.29266 HMDB02536 PFEM_hmdb_metabocards_official NA NA +HMDB02585 3b,12b-Dihydroxy-5b-cholanoic acid C24H40O4 392.29266 HMDB02585 PFEM_hmdb_metabocards_official NA NA +HMDB00348 3b,12a-Dihydroxy-5a-cholanoic acid C24H40O4 392.292664 NA HMDB2010 NA NA +HMDB00361 3b,7a-Dihydroxy-5b-cholanoic acid C24H40O4 392.292664 NA HMDB2010 NA NA +HMDB00384 3a,7a-Dihydroxycholanoic acid C24H40O4 392.292664 NA HMDB2010 NA NA +HMDB00411 3a,12b-Dihydroxy-5b-cholanoic acid C24H40O4 392.292664 NA HMDB2010 NA NA +HMDB00438 3b,12a-Dihydroxy-5b-cholanoic acid C24H40O4 392.292664 NA HMDB2010 NA NA +HMDB00478 Allodeoxycholic acid C24H40O4 392.292664 NA HMDB2010 NA NA +HMDB00514 Allochenodeoxycholic acid C24H40O4 392.292664 NA HMDB2010 NA NA +HMDB00518 Chenodeoxycholic acid C24H40O4 392.292664 NA HMDB2010 NA NA +HMDB00626 Deoxycholic acid C24H40O4 392.292664 NA HMDB2010 NA NA +HMDB00664 Isohyodeoxycholic acid C24H40O4 392.292664 NA HMDB2010 NA NA +HMDB00686 Isoursodeoxycholic acid C24H40O4 392.292664 NA HMDB2010 NA NA +HMDB00733 Hyodeoxycholic acid C24H40O4 392.292664 NA HMDB2010 NA NA +HMDB00811 Murocholic acid C24H40O4 392.292664 NA HMDB2010 NA NA +HMDB00946 Ursodeoxycholic acid C24H40O4 392.292664 NA HMDB2010 NA NA +HMDB02451 7b,12a-Dihydroxycholanoic acid C24H40O4 392.292664 NA HMDB2010 NA NA +HMDB02488 7a,12b-dihydroxy-5b-Cholan-24-oic acid C24H40O4 392.292664 NA HMDB2010 NA NA +HMDB02536 Isodeoxycholic acid C24H40O4 392.292664 NA HMDB2010 NA NA +HMDB02585 3b,12b-Dihydroxy-5b-cholanoic acid C24H40O4 392.292664 NA HMDB2010 NA NA +EUR640 Chenodeoxycholic acid [M+H]+ 392.2927 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR641 Deoxycholic acid,Na salt [M+H]+ 392.2927 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR640 Chenodeoxycholic acid [M+H]+ 392.2927 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR641 Deoxycholic acid,Na salt [M+H]+ 392.2927 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR640 Chenodeoxycholic acid [M+H]+ 392.2927 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR641 Deoxycholic acid,Na salt [M+H]+ 392.2927 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR640 Chenodeoxycholic acid [M+H]+ 392.2927 identifies dans standard mixture NuGO Inhousejuil11 NA NA +EUR641 Deoxycholic acid,Na salt [M+H]+ 392.2927 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C02528 Chenodeoxycholate C24H40O4 392.2927 NA KEGG NA NA +C02530 Cholesterol ester C28H45O2R 392.2927 NA KEGG NA NA +C02531 Collagen type VII C28H45O2R 392.2927 NA KEGG NA NA +C04483 3alpha,12alpha-Dihydroxy-5beta-cholanate C24H40O4 392.2927 NA KEGG NA NA +C07880 Ursodiol C24H40O4 392.2927 NA KEGG NA NA +C15515 6beta-Hydroxylithocholate C24H40O4 392.2927 NA KEGG NA NA +C15517 Hyodeoxycholate C24H40O4 392.2927 NA KEGG NA NA +C17646 12-Epideoxycholic acid C24H40O4 392.2927 NA KEGG NA NA +C17660 Isochenodeoxycholate C24H40O4 392.2927 NA KEGG NA NA +C17661 Isodeoxycholate C24H40O4 392.2927 NA KEGG NA NA +C17662 Isoursodeoxycholate C24H40O4 392.2927 NA KEGG NA NA +C17664 Allochenodeoxycholate C24H40O4 392.2927 NA KEGG NA NA +C17687 Allodeoxycholate C24H40O4 392.2927 NA KEGG NA NA +MLBis004 Chenodeoxycholic acid HMDB00518_RT14.75_add375,357 392.2933 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis008 Deoxycholic acid,Na salt HMDB00626_RT14.43_add3758,357 392.2933 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis004 Chenodeoxycholic acid HMDB00518_RT14.75_add375,357 392.2933 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis008 Deoxycholic acid,Na salt HMDB00626_RT14.43_add3758,357 392.2933 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis004 Chenodeoxycholic acid HMDB00518_RT14.75_add375,357 392.2933 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis008 Deoxycholic acid,Na salt HMDB00626_RT14.43_add3758,357 392.2933 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis004 Chenodeoxycholic acid HMDB00518_RT14.75_add375,357 392.2933 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis008 Deoxycholic acid,Na salt HMDB00626_RT14.43_add3758,357 392.2933 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis004 Chenodeoxycholic acid HMDB00518_RT14.75_add375,357 392.2933 Mlbis HMDB NA NA +MLBis008 Deoxycholic acid,Na salt HMDB00626_RT14.43_add3758,357 392.2933 Mlbis HMDB NA NA +MLBis004 Chenodeoxycholic acid HMDB00518_RT14.75_add375,357 392.2933 Mlbis Inhouse_PFEM NA NA +MLBis008 Deoxycholic acid,Na salt HMDB00626_RT14.43_add3758,357 392.2933 Mlbis Inhouse_PFEM NA NA +MLBis004 Chenodeoxycholic acid HMDB00518_RT14.75_add375,357 392.2933 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis008 Deoxycholic acid,Na salt HMDB00626_RT14.43_add3758,357 392.2933 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis004 Chenodeoxycholic acid HMDB00518_RT14.75_add375,357 392.2933 Mlbis PFEM_hmdb_metabocards_official NA NA +MLBis008 Deoxycholic acid,Na salt HMDB00626_RT14.43_add3758,357 392.2933 Mlbis PFEM_hmdb_metabocards_official NA NA +NOREF2 Chenodeoxycholique acid NA 392.3 393.3072 Inhouse_sept12 NA NA +MJ053357 Ergosta-4,6,8(14),22-tetraen-3-one C28H40O 392.307915 NA MeJP NA NA +MJ053358 Ergosta-4,6,8(14),24(28)-tetraen-3-one C28H40O 392.307915 NA MeJP NA NA +MJ053359 Ergosta-4,6,8,22-tetraen-3-one C28H40O 392.307915 NA MeJP NA NA +MJ053360 17-Cheilanthene-6,13,19-triol C25H44O3 392.329045 NA MeJP NA NA +MJ053361 3-(11-Eicosynyl)-4,5-dihydro-4-hydroxy-5-methyl-2(3H)-furanone C25H44O3 392.329045 NA MeJP NA NA +MJ053362 4,6-Dihydroxy-6-(14-nonadecenyl)-2-cyclohexen-1-one C25H44O3 392.329045 NA MeJP NA NA +MJ053363 6-Heptadecyl-1,2,4-benzenetriol; 1,2-Di-Me ether C25H44O3 392.329045 NA MeJP NA NA +MJ053364 6-Heptadecyl-1,2,4-benzenetriol; 2,4-Di-Me ether C25H44O3 392.329045 NA MeJP NA NA +MJ053365 15,19-Hexacosadienoic acid C26H48O2 392.36543 NA MeJP NA NA +MJ053366 17,20-Hexacosadienoic acid C26H48O2 392.36543 NA MeJP NA NA +MJ053367 23-Methyl-5,9-pentacosadienoic acid C26H48O2 392.36543 NA MeJP NA NA +MJ053368 5,9-Hexacosadienoic acid C26H48O2 392.36543 NA MeJP NA NA +MJ053369 5,9-Hexaeicosadienoic acid C26H48O2 392.36543 NA MeJP NA NA +MJ053370 1-Cyclohexyl-11-heneicosanone C27H52O 392.401816 NA MeJP NA NA +3730 NA YPFGFVG 392.6805 MH2+ Inhouse_peptide NA peptide +MJ053371 2,5,6-Tribromo-1H-indole-3-carboxaldehyde; N-Me C10H6Br3NO 392.799951 NA MeJP NA NA +MJ053372 2-Amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid, 4-Me ether, N,N,N-tri-Me, betaine C13H17Br2NO3 392.957518 NA MeJP NA NA +MJ053373 Spasmolytol C14H21Br2NO2 392.993904 NA MeJP NA NA +MJ053374 Tioxaprofen C18H13Cl2NO3S 392.999319 NA MeJP NA NA +MJ053375 Ambuside C13H16ClN3O5S2 393.021989 NA MeJP NA NA +MJ053376 2-(Methylthio)ethyl glucosinolate C10H19NO9S3 393.022193 NA MeJP NA NA +MJ053377 Enduracididine, N?-(6-Bromo-1H-indol-3-ylcarbonyl) C15H16BrN5O3 393.043652 NA MeJP NA NA +C16620 6-Methylthioguanosine monophosphate C11H16N5O7PS 393.0508 NA KEGG NA NA +MJ053378 2-Mercaptoadenosine; S-Me, 5'-phosphate C11H16N5O7PS 393.050805 NA MeJP NA NA +MJ053379 Sulfaloxic acid C16H15N3O7S 393.06307 NA MeJP NA NA +MJ053380 Lorzafone C18H17Cl2N3O3 393.064696 NA MeJP NA NA +C11161 Ethidium bromide C21H20N3 393.0841 NA KEGG NA NA +MJ053381 Fibrostatins; Fibrostatin A C18H19NO7S 393.088222 NA MeJP NA NA +MJ053382 Rubitecan C20H15N3O6 393.096085 NA MeJP NA NA +MJ053383 Salfredin C1; 5-Deoxo, N-(1,3-dicarboxypropyl) C18H19NO9 393.105981 NA MeJP NA NA +C01553 Amsacrine C21H19N3O3S 393.1147 NA KEGG NA NA +MJ053384 Amsacrine C21H19N3O3S 393.114712 NA MeJP NA NA +MJ053385 ?-Glutamyl-?-glutamylcysteine; L-L-L-form, S-Me C14H23N3O8S 393.120585 NA MeJP NA NA +MJ053386 ?-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine C14H23N3O8S 393.120585 NA MeJP NA NA +MJ053387 Ethyl N-nitratopivaloyl-S-(N-acetylglycyl)cysteinate C14H23N3O8S 393.120585 NA MeJP NA NA +PJ000833 DEM C14H23N3O8S 393.1206 NA PeJP NA NA +C05316 Dihydromacarpine C22H19NO6 393.1212 NA KEGG NA NA +MJ053388 Dihydromacarpine C22H19NO6 393.121237 NA MeJP NA NA +MJ053389 Bungeanine C22H19NO6 393.121237 NA MeJP NA NA +MJ053390 Citropone A C22H19NO6 393.121237 NA MeJP NA NA +MJ053391 Dihydrochelirubine; 5-Methoxy C22H19NO6 393.121237 NA MeJP NA NA +MJ053392 Alkaloid PO4 C22H20NO6(+) 393.121237 NA MeJP NA NA +MetaCyc03341 dihydromacarpine [] C22H19N1O6 393.121237 77785-12-7 metacyc NA NA +CJneg0588 1,7-dimethyluric acid [(2M-H)]- (13C) C1313CH15N8O6 393.123225 C18rt(min)=4.96 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0588 1,7-dimethyluric acid [(2M-H)]- (13C) C1313CH15N8O6 393.123225 C18rt(min)=4.96 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C11797 Tifluadom C22H20FN3OS 393.1311 NA KEGG NA NA +MJ053393 Tifluadom C22H20FN3OS 393.131111 NA MeJP NA NA +PJ000834 GSCQ C13H23N5O7S 393.1318 NA PeJP NA NA +MJ053394 Circumdatin A C21H19N3O5 393.13247 NA MeJP NA NA +MJ053395 Circumdatin E; 5-Methoxy C21H19N3O5 393.13247 NA MeJP NA NA +MJ053396 N-Hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-3-methylbutanamide C18H23N3O5S 393.135841 NA MeJP NA NA +MJ053397 Pentetic acid C14H23N3O10 393.138343 NA MeJP NA NA +PJ000835 SSSN C13H23N5O9 393.1496 NA PeJP NA NA +PJ000836 PDY C18H23N3O7 393.1536 NA PeJP NA NA +MJ053398 8-Hydroxydihydrochelerythrine; Et ether C23H23NO5 393.157622 NA MeJP NA NA +MJ053399 Tylohirsutinidine C23H23NO5 393.157622 NA MeJP NA NA +MJ053400 Sanguilutine C23H24NO5(+) 393.157622 NA MeJP NA NA +7923 synthetic peptide THH 393.163 antioxidative Inhouse_peptide NA peptide +MJ053401 2-Hydroxy-2-methylbutanoic acid, Nitrile, O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C16H27NO10 393.163496 NA MeJP NA NA +PJ000837 NNF C17H23N5O6 393.1648 NA PeJP NA NA +PJ000838 GGNF C17H23N5O6 393.1649 NA PeJP NA NA +PJ000839 GSCK C14H27N5O6S 393.1682 NA PeJP NA NA +MJ053402 CP 358774 C22H23N3O4 393.168856 NA MeJP NA NA +PJ000840 PMF C19H27N3O4S 393.1722 NA PeJP NA NA +MJ053403 Amantocillin C19H27N3O4S 393.172227 NA MeJP NA NA +MJ053404 [1-[2-[(Methylsulfonyl)amino]ethyl]-4-piperidinyl]methyl 1-methyl-1H-indole-3-carboxylate C19H27N3O4S 393.172227 NA MeJP NA NA +PJ000841 LMM C16H31N3O4S2 393.1756 NA PeJP NA NA +MJ053405 Antibiotic FR 900403 C16H23N7O5 393.176066 NA MeJP NA NA +PJ000842 THH C16H23N7O5 393.1761 NA PeJP NA NA +MJ053406 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(3,4,5-Trimethoxybenzoyl), 6-Ac C20H27NO7 393.178752 NA MeJP NA NA +MJ053407 Anacrotine; (E)-Isomer, O6-Ac C20H27NO7 393.178752 NA MeJP NA NA +MJ053408 Anacrotine; O6-Ac C20H27NO7 393.178752 NA MeJP NA NA +MJ053409 Gynuramine; 1''-Ac C20H27NO7 393.178752 NA MeJP NA NA +MJ053410 Hackelidine; 7-Angeloyl C20H27NO7 393.178752 NA MeJP NA NA +MJ053411 Hackelidine; Stereoisomer, 7-angeloyl C20H27NO7 393.178752 NA MeJP NA NA +MJ053412 Ipanguline D3; 2''-Epimer, 7-O-(2-hydroxybenzoyl) C20H27NO7 393.178752 NA MeJP NA NA +MJ053413 Ipanguline D3; 7-O-(2-Hydroxybenzoyl) C20H27NO7 393.178752 NA MeJP NA NA +MJ053414 Madurensine; (15Z)-Isomer, O7-Ac C20H27NO7 393.178752 NA MeJP NA NA +MJ053415 Madurensine; O7-Ac C20H27NO7 393.178752 NA MeJP NA NA +C10344 Latifoline C20H27NO7 393.1788 NA KEGG NA NA +MJ053416 Pirenperone C23H24FN3O2 393.185255 NA MeJP NA NA +PJ000843 VEF C19H27N3O6 393.19 NA PeJP NA NA +C10620 (-)-Tylocrebrine C24H27NO4 393.194 NA KEGG NA NA +C10623 Tylophorine C24H27NO4 393.194 NA KEGG NA NA +C14015 Diphenhydramine salicylate C17H21NO 393.194 NA KEGG NA NA +C14016 Transferred to D02236 C17H21NO 393.194 NA KEGG NA NA +C14017 Transferred to D02237 C17H21NO 393.194 NA KEGG NA NA +C14018 Transferred to D02238 C17H21NO 393.194 NA KEGG NA NA +C14019 Transferred to D02239 C17H21NO 393.194 NA KEGG NA NA +C14020 Transferred to D02240 C17H21NO 393.194 NA KEGG NA NA +MJ053417 13a-Methyltylohirsutinidine; 14-Deoxy C24H27NO4 393.194008 NA MeJP NA NA +MJ053418 Ancistrobrevine B; Atropisomer, 3-epimer, 4'-O-de-Me C24H27NO4 393.194008 NA MeJP NA NA +MJ053419 Ancistrobrevine B; Atropisomer, 4'-O-de-Me C24H27NO4 393.194008 NA MeJP NA NA +MJ053420 Ancistrocladine; 4'-O-De-Me C24H27NO4 393.194008 NA MeJP NA NA +MJ053421 Atalaphylline; 3-Me ether C24H27NO4 393.194008 NA MeJP NA NA +MJ053422 Atalaphylline; N-Me C24H27NO4 393.194008 NA MeJP NA NA +MJ053423 Dioncophyllinol B; 8-Me ether C24H27NO4 393.194008 NA MeJP NA NA +MJ053424 Glycocitrine III C24H27NO4 393.194008 NA MeJP NA NA +MJ053425 Hypoestestatin 2 C24H27NO4 393.194008 NA MeJP NA NA +MJ053426 Isotylocrebrine C24H27NO4 393.194008 NA MeJP NA NA +MJ053427 Korupensamine A; 3-Epimer, N-Me C24H27NO4 393.194008 NA MeJP NA NA +MJ053428 Korupensamine A; 5'-Me ether C24H27NO4 393.194008 NA MeJP NA NA +MJ053429 Korupensamine A; Atropisomer, 1-epimer, 4'-O-de-Me, 5',8-di-Me ether C24H27NO4 393.194008 NA MeJP NA NA +MJ053430 Korupensamine A; Atropisomer, 4'-O-de-Me, 5',8-di-Me ether C24H27NO4 393.194008 NA MeJP NA NA +MJ053431 N-Methylbicycloatalaphylline C24H27NO4 393.194008 NA MeJP NA NA +MJ053432 Tylocrebrine C24H27NO4 393.194008 NA MeJP NA NA +MJ053433 Tyloindicine A C24H27NO4 393.194008 NA MeJP NA NA +MJ053434 Tyloindicine B C24H27NO4 393.194008 NA MeJP NA NA +MJ053435 Tylophorine C24H27NO4 393.194008 NA MeJP NA NA +MJ053436 4-[3-[3-(3-Hydroxyoctyl)-4-oxo-2-thiazolidinyl]propyl]benzoic acid C21H31NO4S 393.197379 NA MeJP NA NA +3186 derivative of L-enkephalin GGFLTRH 393.2 MH2+ Inhouse_peptide NA peptide +MJ053437 2-[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]-1H-isoindole-1,3(2H)-dione C23H27N3O3 393.205241 NA MeJP NA NA +MJ053438 Benafentrine C23H27N3O3 393.205241 NA MeJP NA NA +MJ053439 Isocyclocelabenzine, 13-Hydroxy C23H27N3O3 393.205241 NA MeJP NA NA +MJ053440 Voacangine; 3-Carbonitrile C23H27N3O3 393.205241 NA MeJP NA NA +7541 ACE inhibitor from wheat germ hydrolysate IVY 393.215 antioxidative Inhouse_peptide NA peptide +7749 ACE inhibitor from sea bream scales hydrolysate VIY 393.215 antioxidative Inhouse_peptide NA peptide +8150 peptide derived from bovine kappa-casein (30-32) YVL 393.215 stimulating Inhouse_peptide NA peptide +8268 f(30-32) of bovine kappa casein YVL 393.215 NA ;SYN:(Methylamino)acetate; (Methylamino)acetic acid; (Methylamino)ethanoate; (Methylamino)ethanoic acid; Methylglycine; N-Methylaminoacetate; N-Methylaminoacetic acid; N-Methylglycine; N-methyl-Glycine; Sarcosin; Sarcosinate; Sarcosine; Sarcosinic acid; (methylamino)-Acetate; (methylamino)-Acetic acidH2Blood; Saliva; Urine Inhouse_peptide NA peptide +MJ053441 Spirilene C24H28FN3O 393.22164 NA MeJP NA NA +MJ053442 Valistatin C20H31N3O5 393.226371 NA MeJP NA NA +PJ000844 VLY C20H31N3O5 393.2264 NA PeJP NA NA +C03887 Oxidized Cypridina luciferin C21H27N7O 393.2277 NA KEGG NA NA +MJ053443 Cypridina Oxyluciferin C21H27N7O 393.227708 NA MeJP NA NA +MetaCyc03342 oxidized cypridina luciferin [] C21H27N7O1 393.227709 NA metacyc NA NA +MJ053444 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Nicotinoyl C25H31NO3 393.230393 NA MeJP NA NA +MJ053445 Acidissiminol C25H31NO3 393.230393 NA MeJP NA NA +MJ053446 Aurachin G C25H31NO3 393.230393 NA MeJP NA NA +MJ053447 Metindizate C25H31NO3 393.230393 NA MeJP NA NA +C15160 2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)- C25H31NO3 393.2304 NA KEGG NA NA +C15162 2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)- C25H31NO3 393.2304 NA KEGG NA NA +MJ053448 Mirisetron C24H31N3O2 393.241627 NA MeJP NA NA +MJ053449 Tardioxopiperazine A C24H31N3O2 393.241627 NA MeJP NA NA +MJ053450 Tardioxopiperazine B C24H31N3O2 393.241627 NA MeJP NA NA +MJ053451 Aconosine; 9-Hydroxy C22H35NO5 393.251523 NA MeJP NA NA +MJ053452 Bicolorine C22H35NO5 393.251523 NA MeJP NA NA +MJ053453 Chuanfumine C22H35NO5 393.251523 NA MeJP NA NA +MJ053454 Dihydromonticamine C22H35NO5 393.251523 NA MeJP NA NA +MJ053455 Karakolidine C22H35NO5 393.251523 NA MeJP NA NA +MJ053456 Macrocentrine C22H35NO5 393.251523 NA MeJP NA NA +MJ053457 Paniculamine C22H35NO5 393.251523 NA MeJP NA NA +MJ053458 Talatizamine; O1,O18-Di-de-Me C22H35NO5 393.251523 NA MeJP NA NA +MJ053459 Terbutaline, 3,5-Bis(2,2-dimethylpropanoyl) C22H35NO5 393.251523 NA MeJP NA NA +MJ053460 Virescenine; 18-Demethoxy C22H35NO5 393.251523 NA MeJP NA NA +C12023 Undecylprodigiosin C25H35N3O 393.278 NA KEGG NA NA +MJ053461 Amesergide C25H35N3O 393.278012 NA MeJP NA NA +MJ053462 Undecylprodigiosin C25H35N3O 393.278012 NA MeJP NA NA +MJ053463 Norcassaidide C23H39NO4 393.287908 NA MeJP NA NA +MJ053464 Norcassaidine C23H39NO4 393.287908 NA MeJP NA NA +MJ053465 Veratramine; 23-Deoxy C27H39NO 393.303164 NA MeJP NA NA +MJ053466 Oncinotine, 11-Oxo C23H43N3O2 393.335527 NA MeJP NA NA +MJ053467 Oncinotine, 12-Oxo C23H43N3O2 393.335527 NA MeJP NA NA +3732 NA YPFGFTG 393.67 MH2+ Inhouse_peptide NA peptide +3699 NA NRKQDK 393.7084 MH2+ Inhouse_peptide NA peptide +MJ053468 Triiodomethane CHI3 393.72123 NA MeJP NA NA +MJ053469 1,1,2-Tribromo-4-chloro-1-octen-3-one C8H10Br3ClO 393.79703 NA MeJP NA NA +MJ053470 1,2,4-Tribromo-1-chloro-1-octen-3-one C8H10Br3ClO 393.79703 NA MeJP NA NA +MJ053471 2-(Dibromomethyl)-1,5,6-trichloro-6-methyl-1,3,7-octatriene C10H11Br2Cl3 393.829308 NA MeJP NA NA +MJ053472 2,4,5,7-Tetrachloro-1,3,6-trihydroxy-8-methylxanthone C14H6Cl4O5 393.896934 NA MeJP NA NA +MetaCyc03343 p-chloromercuriphenyl sulphonate [p-chloromercuriphenyl sulphonic acid;p-CMPSA;p-chloromercuriphenylsulphonate;] C6H5O3S1CL1HG1 393.935418 NA metacyc NA NA +MJ053473 Chloromonilicin; Bromo analogue C16H11BrO7 393.968815 NA MeJP NA NA +MJ053474 Chloro(triethylarsine)gold(I) C6H15AsAuCl 393.974376 NA MeJP NA NA +MJ053475 2,7-Dihydroxy-1,3,2-benzodioxabismole-5-carboxylic acid C7H5BiO6 393.988996 NA MeJP NA NA +MJ053476 Palisadin B; 12-Hydroxy C15H24Br2O2 394.014305 NA MeJP NA NA +MJ053477 Palisadin B; 5?-Hydroxy C15H24Br2O2 394.014305 NA MeJP NA NA +MetaCyc03344 sucralose [] C13H21O7CL3 394.035286 NA metacyc NA NA +FL5FCBNSS001 Kaempferol 7,4'-dimethyl ether 3-O-sulfate C17H14O9S 394.03585 58942-18-0 knapsack NA NA +MJ053478 3,5-Dihydroxy-4',7-dimethoxyflavone; 3-O-Sulfate C17H14O9S 394.035852 NA MeJP NA NA +MJ053479 Rhodoptilometrin; 6-O-Sulfate C17H14O9S 394.035852 NA MeJP NA NA +MJ053480 Nidulin; O-De-Me, 4-dechloro C19H16Cl2O5 394.037479 NA MeJP NA NA +MJ053481 Herbamide A C16H21Cl3N2OS 394.044017 NA MeJP NA NA +MJ053482 Thienamycin; 6,8-Diepimer, N-Ac, O-sulfate C13H18N2O8S2 394.050456 NA MeJP NA NA +MJ053483 Thienamycin; 8-Epimer, N-Ac, O-sulfate C13H18N2O8S2 394.050456 NA MeJP NA NA +C17399 Epithienamycin F C13H18N2O8S2 394.0505 NA KEGG NA NA +FL3FACNR0001 Demethyltorosaflavone C;cis-(+-)-2-(3,4-Dihydroxyphenyl)-5b,8a-dihydro-5,7-dihydroxy-6-methyl-4H,8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione C21H14O8 394.06886 145194-15-6 knapsack NA NA +MJ053484 2',4,4',5,5',6-Hexahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4,5:4',5'-Bis(methylene), 6-Me ether C21H14O8 394.068867 NA MeJP NA NA +MJ053485 Anthracyclinone 58G C21H14O8 394.068867 NA MeJP NA NA +MJ053486 Antibiotic Sch 50673 C21H14O8 394.068867 NA MeJP NA NA +MJ053487 Edgeworthin; 6-Me ether, 7-Ac C21H14O8 394.068867 NA MeJP NA NA +MJ053488 Preussomerin A; 3'?-Methoxy, 2',3'-dihydro, 1,1'-diketone C21H14O8 394.068867 NA MeJP NA NA +MJ053489 Tetracenomycin D3; 8-Me ether C21H14O8 394.068867 NA MeJP NA NA +MJ053490 Tetracenomycin D3; Me ester C21H14O8 394.068867 NA MeJP NA NA +MJ053491 Torosaflavone C; De-O-Me C21H14O8 394.068867 NA MeJP NA NA +C10877 Prostalidin A C21H14O8 394.0689 NA KEGG NA NA +C12369 Tetracenomycin B3 C21H14O8 394.0689 NA KEGG NA NA +C12375 Tetracenomycin D3 methylester C21H14O8 394.0689 NA KEGG NA NA +C06436 5'-Butyrylphosphouridine C13H19N2O10P 394.0777 NA KEGG NA NA +C06437 1,3-Diacylglycerol C5H6O5R2 394.0777 NA KEGG NA NA +MJ053492 Barbatic acid; 5-Chloro, 4-O-de-Me, Me ester C19H19ClO7 394.08193 NA MeJP NA NA +MJ053493 Paphencyl C19H20Cl2N2O3 394.085097 NA MeJP NA NA +MJ053494 4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; 4-Me ether, 9-O-?-D-glucopyranoside C18H18O10 394.089996 NA MeJP NA NA +MJ053495 2,6-Diamino-3a,4,9,10-tetrahydro-10-hydroxy-1H,8H-pyrrolo[1,2-c]purine-4-methanol; 9?,10-Dihydroxy, 11-Ac, 9-sulfate C11H18N6O8S 394.090682 NA MeJP NA NA +MJ053496 2,6-Diamino-3a,4,9,10-tetrahydro-10-hydroxy-1H,8H-pyrrolo[1,2-c]purine-4-methanol; 9?,10-Dihydroxy, 11-Ac, 9-sulfate C11H18N6O8S 394.090682 NA MeJP NA NA +FL4DAANC0002 Gericudranin E C22H18O7 394.10525 172104-07-3 knapsack NA NA +FLIFHXNF0006 12a-Hydroxyisomillettone C22H18O7 394.10525 - knapsack NA NA +FLIFHXNP0002 Millettosin;12a-Hydroxymillettone C22H18O7 394.10525 - knapsack NA NA +FLIHBCNP0001 Robustin C22H18O7 394.10525 22044-61-7 knapsack NA NA +FLIHBCNP0003 Isorobustin C22H18O7 394.10525 55607-51-7 knapsack NA NA +MJ053497 12a-Hydroxyisomillettone C22H18O7 394.105252 NA MeJP NA NA +MJ053498 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-(4-Hydroxyphenylglyoxylyl) C22H18O7 394.105252 NA MeJP NA NA +MJ053499 3',4,4',5,6-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4'-Methylene, 4,5,6-tri-Me ether C22H18O7 394.105252 NA MeJP NA NA +MJ053500 3',4,4',5,6-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4'-Methylene, 4,5,6-tri-Me ether C22H18O7 394.105252 NA MeJP NA NA +MJ053501 3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4'-Methylene, 4,5,7-tri-Me ether C22H18O7 394.105252 NA MeJP NA NA +MJ053502 3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4,5-Methylene, 3',4',7-tri-Me ether C22H18O7 394.105252 NA MeJP NA NA +MJ053503 3-(1,3-Benzodioxol-5-yl)-4-hydroxy-5-methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one C22H18O7 394.105252 NA MeJP NA NA +MJ053504 Antibiotic MT 81 C22H18O7 394.105252 NA MeJP NA NA +MJ053505 Austocystin H C22H18O7 394.105252 NA MeJP NA NA +MJ053506 Deoxypodophyllic acid; 7,7',8,8'-Tetradehydro, lactone C22H18O7 394.105252 NA MeJP NA NA +MJ053507 Diphyllin; Me ether C22H18O7 394.105252 NA MeJP NA NA +MJ053508 Durmillone; 5-Methoxy, 6-O-de-Me C22H18O7 394.105252 NA MeJP NA NA +MJ053509 Gericudranin E C22H18O7 394.105252 NA MeJP NA NA +MJ053510 Hydramycin C22H18O7 394.105252 NA MeJP NA NA +MJ053511 Isorobustin C22H18O7 394.105252 NA MeJP NA NA +MJ053512 Millettosin C22H18O7 394.105252 NA MeJP NA NA +MJ053513 Mycotoxin MT81 C22H18O7 394.105252 NA MeJP NA NA +MJ053514 Phyllamyricin E C22H18O7 394.105252 NA MeJP NA NA +MJ053515 Robustin C22H18O7 394.105252 NA MeJP NA NA +MJ053516 Robustone; 10-Methoxy C22H18O7 394.105252 NA MeJP NA NA +MJ053517 Rubiginone D2; 4-Ac C22H18O7 394.105252 NA MeJP NA NA +MJ053518 Tetracenomycin D3; 5-Deoxo, 8-Me ether, Me ester C22H18O7 394.105252 NA MeJP NA NA +C10633 Justicidin A C22H18O7 394.1053 NA KEGG NA NA +MJ053519 Bis(2-hydroxy-4-phenylbutyl) trisulfide C20H26O2S3 394.109492 NA MeJP NA NA +C15371 9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione C20H27BrO3 394.1144 NA KEGG NA NA +PJ000845 GSCE C13H22N4O8S 394.1159 NA PeJP NA NA +MJ053520 Verrucarin F C21H18N2O6 394.116486 NA MeJP NA NA +MJ053521 6-Chloro-2,3-dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-1-carboxamide C21H19ClN4O2 394.119653 NA MeJP NA NA +CJneg0589 1,7-dimethyluric acid [(2M-H)]- (18O) C14H15N8O518O 394.124125 C18rt(min)=4.96 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0589 1,7-dimethyluric acid [(2M-H)]- (18O) C14H15N8O518O 394.124125 C18rt(min)=4.96 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ053522 2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 8-O-?-D-Glucopyranoside C19H22O9 394.126382 NA MeJP NA NA +MJ053523 5-Acetonyl-6-glucosyl-7-hydroxy-2-methyl-4H-1-benzopyran-4-one C19H22O9 394.126382 NA MeJP NA NA +MJ053524 Aloesin C19H22O9 394.126382 NA MeJP NA NA +MJ053525 Aloesol; 2'-Ketone, 7-?-D-glucopyranoside C19H22O9 394.126382 NA MeJP NA NA +MJ053526 Cassiachromone; O-?-D-Glucopyranoside C19H22O9 394.126382 NA MeJP NA NA +MJ053527 Eurylactone B C19H22O9 394.126382 NA MeJP NA NA +MJ053528 Isoaloesin C19H22O9 394.126382 NA MeJP NA NA +MJ053529 Jasmolactone A; 3'-Hydroxy C19H22O9 394.126382 NA MeJP NA NA +MJ053530 Neoaloesin A C19H22O9 394.126382 NA MeJP NA NA +MJ053531 Podolactone A; 1?-Hydroxy C19H22O9 394.126382 NA MeJP NA NA +C08994 Aloesin C19H22O9 394.1264 NA KEGG NA NA +C09172 Podolactone B C19H22O9 394.1264 NA KEGG NA NA +PJ000846 SCW C17H22N4O5S 394.1311 NA PeJP NA NA +MJ053532 Fluacizine C20H21F3N2OS 394.132668 NA MeJP NA NA +PJ000847 SSSD C13H22N4O10 394.1336 NA PeJP NA NA +PJ000848 NMM C14H26N4O5S2 394.1345 NA PeJP NA NA +MJ053533 Imanixil C17H17F3N6O2 394.136508 NA MeJP NA NA +C07593 Rotenone C23H22O6 394.1416 NA KEGG NA NA +C10076 Macluraxanthone C23H22O6 394.1416 NA KEGG NA NA +C10417 Deguelin C23H22O6 394.1416 NA KEGG NA NA +FL2F19NC0001 Purpurin C23H22O6 394.14163 75775-33-6 knapsack NA NA +FL2FCCNF0002 3',4'-Dihydroxy-7-methoxy-8-prenyl-5''-(2-hydroxyisopropyl)-[2'',3'':5,6]furanoflavanone C23H22O6 394.14163 325149-80-2 knapsack NA NA +FL3FCCNP0002 Muxiangrin I;Muxiangrine I;5-Hydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one C23H22O6 394.14163 223917-00-8 knapsack NA NA +FL5FDANF0003 8-C-Methylvellokaempferol 3,5-dimethyl ether C23H22O6 394.14163 148335-04-0 knapsack NA NA +FLIA1LNP0003 Barbigerone;Lonchocarpusone C23H22O6 394.14163 75425-27-3 knapsack NA NA +FLIF1LNF0001 Rotenone;Tubotoxin;Nicouline C23H22O6 394.14163 83-79-4 knapsack NA NA +FLIF1LNI0001 Myriconol C23H22O6 394.14163 - knapsack NA NA +FLIF1LNP0001 (-)-cis-Deguelin C23H22O6 394.14163 522-17-8 knapsack NA NA +FLIFWXNF0007 Dehydrodihydrorotenone C23H22O6 394.14163 6659-45-6 knapsack NA NA +FLIHBBNP0002 Robustic acid methyl ether;Methyl robustate;O-Methylrobustic acid C23H22O6 394.14163 5307-60-8 knapsack NA NA +MJ053534 1-(1,3-Benzodioxol-5-yl)-3-(5-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-1,3-propanedione; Enol-form, 3-Me ether C23H22O6 394.141638 NA MeJP NA NA +MJ053535 3',4',7-Trihydroxy-8-prenylfurano[2'',3'':5,6]flavanone, 7-Me ether C23H22O6 394.141638 NA MeJP NA NA +MJ053536 3-[2,3-Dihydro-2-(2-hydroxy-1-methylethyl)-5-benzofuranyl]-2-propenoic acid, 2'-O-(4-Hydroxycinnamoyl)(E-) C23H22O6 394.141638 NA MeJP NA NA +MJ053537 7-Prenyljacareubin C23H22O6 394.141638 NA MeJP NA NA +MJ053538 8,9-Epoxy-3,10-dihydroxy-p-mentha-1,3,5-trien-7-al; 3-O-(2-Methylpropanoyl), 10-O-cinnamoyl C23H22O6 394.141638 NA MeJP NA NA +MJ053539 8-C-Methylvellokaempferol; 3,5-Di-Me ether C23H22O6 394.141638 NA MeJP NA NA +MJ053540 Barbigerone C23H22O6 394.141638 NA MeJP NA NA +MJ053541 Caloxanthone A C23H22O6 394.141638 NA MeJP NA NA +MJ053542 Cudraxanthone B C23H22O6 394.141638 NA MeJP NA NA +MJ053543 Cudraxanthone K C23H22O6 394.141638 NA MeJP NA NA +MJ053544 Deguelin C23H22O6 394.141638 NA MeJP NA NA +MJ053545 Dehydrorotenone, 1',2'-Dihydro C23H22O6 394.141638 NA MeJP NA NA +MJ053546 Durallone C23H22O6 394.141638 NA MeJP NA NA +MJ053547 Elongatin; 5-Deoxy, 4'-Me ether C23H22O6 394.141638 NA MeJP NA NA +MJ053548 Garcinone B C23H22O6 394.141638 NA MeJP NA NA +MJ053549 Gerontoxanthone A C23H22O6 394.141638 NA MeJP NA NA +MJ053550 Gerontoxanthone B C23H22O6 394.141638 NA MeJP NA NA +MJ053551 Latisxanthone D C23H22O6 394.141638 NA MeJP NA NA +MJ053552 Macluraxanthone C23H22O6 394.141638 NA MeJP NA NA +MJ053553 Morusignin J C23H22O6 394.141638 NA MeJP NA NA +MJ053554 Muxiangrine I C23H22O6 394.141638 NA MeJP NA NA +MJ053555 Myriconol C23H22O6 394.141638 NA MeJP NA NA +MJ053556 Paxanthone B C23H22O6 394.141638 NA MeJP NA NA +MJ053557 Purpurin C23H22O6 394.141638 NA MeJP NA NA +MJ053558 Robustic acid; Me ether C23H22O6 394.141638 NA MeJP NA NA +MJ053559 Rotenone C23H22O6 394.141638 NA MeJP NA NA +MJ053560 Subelliptenone H C23H22O6 394.141638 NA MeJP NA NA +MJ053561 Toxyloxanthone A; 7-Hydroxy C23H22O6 394.141638 NA MeJP NA NA +MJ053562 Xanthone V1 C23H22O6 394.141638 NA MeJP NA NA +PJ000849 NDF C17H22N4O7 394.1489 NA PeJP NA NA +MJ053563 Flucetorex C20H21F3N2O3 394.150427 NA MeJP NA NA +PJ000850 GSTM C14H26N4O7S 394.1522 NA PeJP NA NA +MJ053564 Alstonidine; 14-Oxo C22H22N2O5 394.152871 NA MeJP NA NA +MJ053565 Chanofruticosine methyl ester; 11,12-Methylenedioxy, 14,15-didehydro, N1-de(methoxycarbonyl) C22H22N2O5 394.152871 NA MeJP NA NA +MJ053566 Isochromophilone III; 8-Ac C21H27ClO5 394.154701 NA MeJP NA NA +MJ053567 Isochromophilone III; 8-Epimer, 8-Ac C21H27ClO5 394.154701 NA MeJP NA NA +MJ053568 Loteprednol C21H27ClO5 394.154701 NA MeJP NA NA +MJ053569 Mesuprine C19H26N2O5S 394.156242 NA MeJP NA NA +MJ053570 Enkastine; Enkastine 2 C15H26N2O10 394.158745 NA MeJP NA NA +MJ053571 Trialaphos C14H27N4O7P 394.161735 NA MeJP NA NA +3501 ACE inhibitor from as1-casein AYFYPE 394.1625 MH2+ Inhouse_peptide NA peptide +MJ053572 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) C20H26O8 394.162767 NA MeJP NA NA +MJ053573 1,2:3,4-Diepoxy-8,10-dihydroxy-12,6-guaianolide, 8-(Hydroxytigloyl) C20H26O8 394.162767 NA MeJP NA NA +MJ053574 1,4,9,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 1-Hydroperoxide, 9-angeloyl C20H26O8 394.162767 NA MeJP NA NA +MJ053575 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 13-Me ether, 8-(methylpropenoyl) C20H26O8 394.162767 NA MeJP NA NA +MJ053576 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 13-Tigloyl C20H26O8 394.162767 NA MeJP NA NA +MJ053577 1,8-Dihydroxy-15-oxo-11(13)-eudesmen-12,6-olide, 8-(3,4-Dihydroxy-2-methylenebutanoyl) C20H26O8 394.162767 NA MeJP NA NA +MJ053578 1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Hydroperoxide, 8-(4-hydroxy-2-hydroxymethyl-2E-butenoyl) C20H26O8 394.162767 NA MeJP NA NA +MJ053579 15,16-Epoxy-4,10,18,19-tetrahydroxy-6-oxo-13(16),14-clerodadien-20,12-olide C20H26O8 394.162767 NA MeJP NA NA +MJ053580 2,3-Dihydroxy-5,6-dimethyl-1,4-benzoquinone; Aurantiogliocladin complex C20H26O8 394.162767 NA MeJP NA NA +MJ053581 2?,14:3?,4?-Diepoxy-2?,8?,10?-trihydroxy-1?,5?-guai-11(13)-en-12,6?-olide; 8-(2-Methylbutanoyl) C20H26O8 394.162767 NA MeJP NA NA +MJ053582 2?,14:3?,4?-Diepoxy-2?,8?,10?-trihydroxy-1?,5?-guai-11(13)-en-12,6?-olide; 8-(3-Methylbutanoyl) C20H26O8 394.162767 NA MeJP NA NA +MJ053583 3,10-Epoxy-1,3,8,15-tetrahydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H26O8 394.162767 NA MeJP NA NA +MJ053584 3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2R,3R-Epoxy-2-methylbutanoyl) C20H26O8 394.162767 NA MeJP NA NA +MJ053585 3,4-Epoxy-1,11-dihydroxy-7(14),9-bisaboladiene-2,8-dione, 7?,14-Epoxide, 11-hydroperoxide, 1-tigloyl C20H26O8 394.162767 NA MeJP NA NA +MJ053586 3,8,9,10-Tetrahydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl C20H26O8 394.162767 NA MeJP NA NA +MJ053587 4,19:15,16-Diepoxy-6,8,10,18-tetrahydroxy-13(16),14-clerodadien-20,12-olide C20H26O8 394.162767 NA MeJP NA NA +MJ053588 4,5:9,10-Diepoxy-3,6,13-trihydroxy-12,8-guaianolide, 3-Tigloyl C20H26O8 394.162767 NA MeJP NA NA +MJ053589 4,7,7',8',9,9'-Hexahydroxy-3,3'-dimethoxy-8,4'-oxyneolignan, 7'-Deoxy C20H26O8 394.162767 NA MeJP NA NA +MJ053590 6-Hydroxychaparrin; 6?-form, 2-Ketone C20H26O8 394.162767 NA MeJP NA NA +MJ053591 8,9,10-Trihydroxy-2,3-seco-4,11(13)-germacradiene-3,1;12,6-diolide, 8-Angeloyl C20H26O8 394.162767 NA MeJP NA NA +MJ053592 8,9,15-Trihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-Angeloyl C20H26O8 394.162767 NA MeJP NA NA +MJ053593 Bruceene C20H26O8 394.162767 NA MeJP NA NA +MJ053594 Brucein E; 15-Deoxy, 2-ketone C20H26O8 394.162767 NA MeJP NA NA +MJ053595 Brucein G C20H26O8 394.162767 NA MeJP NA NA +MJ053596 Cedronolactone D C20H26O8 394.162767 NA MeJP NA NA +MJ053597 Chaparrin; 2-Ketone, 13-hydroxy C20H26O8 394.162767 NA MeJP NA NA +MJ053598 Chaparrin; 2-Ketone, 14?-hydroxy C20H26O8 394.162767 NA MeJP NA NA +MJ053599 Gibberellin A13; 12?-Hydroxy C20H26O8 394.162767 NA MeJP NA NA +MJ053600 Gibberellin A13; 2?-Hydroxy C20H26O8 394.162767 NA MeJP NA NA +MJ053601 Gibberellin A19; 3?-Hydroxy, 20-carboxylic acid C20H26O8 394.162767 NA MeJP NA NA +MJ053602 Glaucarubol; 2-Ketone C20H26O8 394.162767 NA MeJP NA NA +MJ053603 Indaquassin B C20H26O8 394.162767 NA MeJP NA NA +MJ053604 Javanicin Y C20H26O8 394.162767 NA MeJP NA NA +MJ053605 Picrodendrin P C20H26O8 394.162767 NA MeJP NA NA +MJ053606 Plagiochiline V C20H26O8 394.162767 NA MeJP NA NA +MJ053607 Salignone B C20H26O8 394.162767 NA MeJP NA NA +MJ053608 Samaderine Z C20H26O8 394.162767 NA MeJP NA NA +MJ053609 Specionin C20H26O8 394.162767 NA MeJP NA NA +MJ053610 Teucrolivin F C20H26O8 394.162767 NA MeJP NA NA +MJ053611 Teulepicephin C20H26O8 394.162767 NA MeJP NA NA +MJ053612 Vermiculin, 12S-Alcohol C20H26O8 394.162767 NA MeJP NA NA +MetaCyc03345 GA28 [gibberellin A28;gibberellin A28;GA28;] C20H26O8 394.162768 NA metacyc NA NA +MetaCyc03346 GA43 [gibberellin A43;gibberellin A43;GA43;] C20H26O8 394.162768 NA metacyc NA NA +C08764 Glaucarubolone C20H26O8 394.1628 NA KEGG NA NA +MJ053613 Eperezolid C18H23FN4O5 394.165248 NA MeJP NA NA +C12228 Sanguilutine C23H24NO5 394.1654 NA KEGG NA NA +PJ000851 SSTT C14H26N4O9 394.17 NA PeJP NA NA +MJ053614 1,3,5-Trihydroxy-2,4-diprenylxanthone; 3-Me ether C24H26O5 394.178023 NA MeJP NA NA +MJ053615 1,3,7-Trihydroxy-2,8-diprenylxanthone; 7-Me ether C24H26O5 394.178023 NA MeJP NA NA +MJ053616 1,3,8-Trihydroxy-6-methylxanthone; 3-O-(3,7-Dimethyl-2,6-octadienyl)(E-) C24H26O5 394.178023 NA MeJP NA NA +MJ053617 2'-Deoxy-2'-(3-methyl-2-butenoyl)bruceol C24H26O5 394.178023 NA MeJP NA NA +MJ053618 2,3-Dihydro-7-hydroxy-2,3-dimethyl-3-[4-methyl-5-(4-methyl-2-furanyl)-3-pentenyl]-4H-furo[3,2-c]benzopyran-4-one C24H26O5 394.178023 NA MeJP NA NA +MJ053619 6,9-Dihydroxyfuranoeremophilan-1-one, 6-Cinnamoyl C24H26O5 394.178023 NA MeJP NA NA +MJ053620 O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone, 3',6'-Diketone C24H26O5 394.178023 NA MeJP NA NA +MJ053621 Pentomone C24H26O5 394.178023 NA MeJP NA NA +MJ053622 Vismiaphenone B; 4'-Hydroxy, 5-Me ether C24H26O5 394.178023 NA MeJP NA NA +MJ053623 Triamcinolone C21H27FO6 394.179166 NA MeJP NA NA +MJ053624 Neflumozide C22H23FN4O2 394.180504 NA MeJP NA NA +MJ053625 2-Hexen-1-ol, O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C17H30O10 394.183897 NA MeJP NA NA +MJ053626 3-Hexen-1-ol, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C17H30O10 394.183897 NA MeJP NA NA +PJ000852 VNY C18H26N4O6 394.1852 NA PeJP NA NA +PJ000853 GGVY C18H26N4O6 394.1853 NA PeJP NA NA +MJ053627 16-Bromo-15-docosene-1,3-diyn-5-ol C22H35BrO 394.187128 NA MeJP NA NA +MJ053628 Akuammiline C23H26N2O4 394.189257 NA MeJP NA NA +MJ053629 Brucine C23H26N2O4 394.189257 NA MeJP NA NA +MJ053630 Caracurine VII; Na,O-Di-Ac C23H26N2O4 394.189257 NA MeJP NA NA +MJ053631 Concusconine C23H26N2O4 394.189257 NA MeJP NA NA +MJ053632 Cusconine C23H26N2O4 394.189257 NA MeJP NA NA +MJ053633 Henningsiine; O-Ac C23H26N2O4 394.189257 NA MeJP NA NA +MJ053634 Icajine; 10-Methoxy C23H26N2O4 394.189257 NA MeJP NA NA +MJ053635 Icajine; 11-Methoxy C23H26N2O4 394.189257 NA MeJP NA NA +MJ053636 Isobrucine C23H26N2O4 394.189257 NA MeJP NA NA +MJ053637 Jobertine C23H26N2O4 394.189257 NA MeJP NA NA +MJ053638 Kopsijasmine C23H26N2O4 394.189257 NA MeJP NA NA +MJ053639 Neblinine C23H26N2O4 394.189257 NA MeJP NA NA +MJ053640 Vomilenine; 19,20-Dihydro, Ac C23H26N2O4 394.189257 NA MeJP NA NA +MJ053641 Yohimbine, 19,20-Didehydro, O-Ac C23H26N2O4 394.189257 NA MeJP NA NA +MJ053642 Mitragynine; 3,5,6-N-Tetradehydro C23H27N2O4(+) 394.189257 NA MeJP NA NA +C09084 Brucine C23H26N2O4 394.1893 NA KEGG NA NA +MJ053643 Diflucortolone C22H28F2O4 394.195565 NA MeJP NA NA +PJ000854 GRY C17H26N6O5 394.1965 NA PeJP NA NA +MJ053644 1,10-Epoxy-4,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-O-Hexanoyl C21H30O7 394.199153 NA MeJP NA NA +MJ053645 1,4,15-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 15-(2-Methylpropanoyl), 4-Ac C21H30O7 394.199153 NA MeJP NA NA +MJ053646 1,5,15-Trihydroxy-2,6,10-farnesatrien-12-al; Tri-Ac C21H30O7 394.199153 NA MeJP NA NA +MJ053647 1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 14-(Methylpropanoyl), 1-Ac C21H30O7 394.199153 NA MeJP NA NA +MJ053648 1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 14-(Methylpropanoyl), 6-Ac C21H30O7 394.199153 NA MeJP NA NA +MJ053649 1,8-Dihydroxy-9-oxo-4,11(13)-germacradien-12,6-olide, 11?,13-Dihydro, 8-(2,3-epoxy-2-methylbutanoyl), 1-Me ether C21H30O7 394.199153 NA MeJP NA NA +MJ053650 11,12-Epoxy-7-drimene-1,3,11-triol, Tri-Ac C21H30O7 394.199153 NA MeJP NA NA +MJ053651 11,12-Epoxy-7-drimene-1,6,11-triol, Tri-Ac C21H30O7 394.199153 NA MeJP NA NA +MJ053652 11,12-Epoxy-8(12)-drimene-6,7,11-triol, Tri-Ac C21H30O7 394.199153 NA MeJP NA NA +MJ053653 3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 1,3-di-Me ether C21H30O7 394.199153 NA MeJP NA NA +MJ053654 3,10-Epoxy-3,8,14-trihydroxy-4,11(13)-germacradien-12,6-olide, O3-Me, 8-(2-Methylbutanoyl) C21H30O7 394.199153 NA MeJP NA NA +MJ053655 3,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 3-Me ether, 8-O-(2-methylbutanoyl) C21H30O7 394.199153 NA MeJP NA NA +MJ053656 3,4-Dihydroxy-8-oxo-11(13)-eudesmen-12-oic acid, 3-(2,3-Epoxy-3-methylbutanoyl), Me ester C21H30O7 394.199153 NA MeJP NA NA +MJ053657 3,6,8,10-Tetrahydroxy-7(11)-eremophilen-12,8-olide, 6-Me ether, 3-angeloyl C21H30O7 394.199153 NA MeJP NA NA +MJ053658 3,6,8,10-Tetrahydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether, 3-angeloyl C21H30O7 394.199153 NA MeJP NA NA +MJ053659 3,8,10-Trihydroxy-1-oxo-11(13)-germacren-12,6-olide, 3-Me ether, 8-angeloyl C21H30O7 394.199153 NA MeJP NA NA +MJ053660 4,8,10,13-Tetrahydroxy-5,7(11)-guaiadien-12,6-olide, 10,13-Di-Me ether, 8-(2-methylpropanoyl) C21H30O7 394.199153 NA MeJP NA NA +MJ053661 4-Hydroxy-9,11(13)-guaiadien-12,8-olide, 4-O-?-L-Rhamnopyranoside C21H30O7 394.199153 NA MeJP NA NA +MJ053662 6,8,15-Trihydroxy-1,3,11(13)-elematrien-12-oic acid, 8-(2-Hydroxymethyl-2E-butenoyl), Me ester C21H30O7 394.199153 NA MeJP NA NA +MJ053663 6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 9-(3-Methyl-2E-pentenoyl) C21H30O7 394.199153 NA MeJP NA NA +MJ053664 7,20-Epoxy-1,6,7,12,20-pentahydroxy-16-kauren-15-one, 20-Me ether C21H30O7 394.199153 NA MeJP NA NA +MJ053665 7,20-Epoxy-1,6,7,14,20-pentahydroxy-16-kauren-15-one, 20-Me ether C21H30O7 394.199153 NA MeJP NA NA +MJ053666 7,20-Epoxy-16-kaurene-6,7,11,14,15-pentol, 11-Formyl C21H30O7 394.199153 NA MeJP NA NA +MJ053667 8,10,12-Trihydroxy-5-longipinanone, Tri-Ac C21H30O7 394.199153 NA MeJP NA NA +MJ053668 8,15-Dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-(2-Methylbutanoyl), Me ester C21H30O7 394.199153 NA MeJP NA NA +MJ053669 Alternaric acid; 10-Deoxy C21H30O7 394.199153 NA MeJP NA NA +MJ053670 Isodotricin C21H30O7 394.199153 NA MeJP NA NA +MJ053671 Javanicin H C21H30O7 394.199153 NA MeJP NA NA +MJ053672 Javanicin L; 4?-Hydroxy, 16-ketone C21H30O7 394.199153 NA MeJP NA NA +MJ053673 Javanicin P C21H30O7 394.199153 NA MeJP NA NA +MJ053674 Nigakihemiacetal E C21H30O7 394.199153 NA MeJP NA NA +MJ053675 Nigakilactone M C21H30O7 394.199153 NA MeJP NA NA +MJ053676 Nigakilactone N C21H30O7 394.199153 NA MeJP NA NA +MJ053677 Plagiochiline P C21H30O7 394.199153 NA MeJP NA NA +MJ053678 Pterosin Z; O-?-D-Glucopyranoside C21H30O7 394.199153 NA MeJP NA NA +MJ053679 Secoeremopetasitolide B C21H30O7 394.199153 NA MeJP NA NA +C17035 Nigakilactone M C21H30O7 394.1992 NA KEGG NA NA +C17036 Nigakilactone N C21H30O7 394.1992 NA KEGG NA NA +C08582 Bixin C25H30O4 394.2144 NA KEGG NA NA +C09760 Kazinol A C25H30O4 394.2144 NA KEGG NA NA +FL1D1ANI0001 Gancaonin J C25H30O4 394.2144 129280-37-1 knapsack NA NA +FL1D1ANI0002 3-Geranyl-4,2',4'-trihydroxydihydrochalcone C25H30O4 394.2144 - knapsack NA NA +FL1DA9NI0005 2',4',6'-Trihydroxy-3',5'-diprenyldihydrochalcone C25H30O4 394.2144 77129-38-5 knapsack NA NA +FL1DA9NR0004 (+)-Linderatin C25H30O4 394.2144 94530-80-0 knapsack NA NA +FL1DA9NR0012 (-)-Linderatin; (1S-trans)-3-Phenyl-1-[2,4,6-trihydroxy-3-[3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]phenyl]-propanone C25H30O4 394.2144 196089-62-0 knapsack NA NA +FL6F1CNI0001 Kazinol A C25H30O4 394.2144 99624-28-9 knapsack NA NA +MJ053680 10-(1-Ethenyl-1,5-dimethyl-4-hexenyl)-5-hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one; Me ether C25H30O4 394.214409 NA MeJP NA NA +MJ053681 2',4',7-Trihydroxy-3',8-diprenylisoflavan C25H30O4 394.214409 NA MeJP NA NA +MJ053682 2,4,6-Trihydroxy-3,5-diprenylbenzophenone; 2,4-Di-Me ether C25H30O4 394.214409 NA MeJP NA NA +MJ053683 3',4',7-Trihydroxy-2',5'-diprenylflavan C25H30O4 394.214409 NA MeJP NA NA +MJ053684 3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-(2-phenylethenyl)benzoic acid, 1'',2''-Dihydro C25H30O4 394.214409 NA MeJP NA NA +MJ053685 3-Phenyl-1-[2,4,6-trihydroxy-3,5-bis(3-methyl-2-butenyl)phenyl]-1-propanone C25H30O4 394.214409 NA MeJP NA NA +MJ053686 4-Hydroxy-5-methyl-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-2H-1-benzopyran-2-one; 8'-Oxo C25H30O4 394.214409 NA MeJP NA NA +MJ053687 5',6-Bis(1,1-dimethyl-2-propenyl)-2',4',7-trihydroxyisoflavan C25H30O4 394.214409 NA MeJP NA NA +MJ053688 5'-(1,1-Dimethyl-2-propenyl)-2',4',7-trihydroxyisoflavan, 4'-O-(3-Methyl-2-butenyl) C25H30O4 394.214409 NA MeJP NA NA +MJ053689 Cometin B; Deoxy C25H30O4 394.214409 NA MeJP NA NA +MJ053690 Gancaonin J C25H30O4 394.214409 NA MeJP NA NA +MJ053691 Kazinol M C25H30O4 394.214409 NA MeJP NA NA +MJ053692 Linderatin C25H30O4 394.214409 NA MeJP NA NA +MJ053693 Manuifolin F C25H30O4 394.214409 NA MeJP NA NA +MJ053694 Nassauvirevolutin A; 3'-Ketone C25H30O4 394.214409 NA MeJP NA NA +MJ053695 Norbixin, Mono-Me ester C25H30O4 394.214409 NA MeJP NA NA +MJ053696 Norbixin, 6-Me ester C25H30O4 394.214409 NA MeJP NA NA +MJ053697 Sapriparaquinone; 4,18-Didehydro, 3-oxo, O-(3-methyl-2-butenyl) C25H30O4 394.214409 NA MeJP NA NA +MJ053698 Triptiliocoumarin; 5'-Epimer, 5'-hydroxy C25H30O4 394.214409 NA MeJP NA NA +MJ053699 Triptiliocoumarin; 5'-Hydroxy C25H30O4 394.214409 NA MeJP NA NA +MJ053700 Triptiliocoumarin; 8-Hydroxy C25H30O4 394.214409 NA MeJP NA NA +PJ000855 TKF C19H30N4O5 394.2216 NA PeJP NA NA +MJ053701 Rhizomycin C19H30N4O5 394.22162 NA MeJP NA NA +MJ053702 13-Hydroxylupanine; (E)-Cinnamoyl C24H30N2O3 394.225642 NA MeJP NA NA +MJ053703 13-Hydroxylupanine; (Z)-Cinnamoyl C24H30N2O3 394.225642 NA MeJP NA NA +MJ053704 Carfentanil C24H30N2O3 394.225642 NA MeJP NA NA +MJ053705 Coronaridine, 3-(2-Oxopropyl) C24H30N2O3 394.225642 NA MeJP NA NA +MJ053706 Coronaridine, 5R-(2-Oxopropyl) C24H30N2O3 394.225642 NA MeJP NA NA +MJ053707 Coronaridine, 5S-(2-Oxopropyl) C24H30N2O3 394.225642 NA MeJP NA NA +MJ053708 Fuchsiaefoline C24H31N2O3(+) 394.225642 NA MeJP NA NA +MJ053709 1,10:4,5-Diepoxy-2,6-germacranediol, 2-Angeloyl, 6-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053710 10(20)-Grayanotoxene-3,5,6,14,16-pentol, 14-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053711 10(20)-Grayanotoxene-3,5,6,14,16-pentol, 6-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053712 11(15?1)-Abeo-4(20),11-taxadiene-5,9,10,13,15-pentol, 9-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053713 14,15-Epoxy-11,13,15-trihydroxy-3-cyathen-17-oic acid, 11,13-Di-Me ether C22H34O6 394.235538 NA MeJP NA NA +MJ053714 16-Kaurene-1,3,6,11,15-pentol, 3-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053715 2,3,19-Trihydroxy-7-labden-15-oic acid, 19-Aldehyde, 2-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053716 2,9:3,16-Diepoxy-7,11-dihydroxy-4-asbestinanone, 11-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053717 3,4-Dihydroxy-7(11)-eudesmen-8-one, 7?,11-Dihydro, 3-(2,3-epoxy-2-methylbutanoyl), 4-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053718 3,7-Dihydroxy-2-oxo-3-cleroden-15-oic acid, 7-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053719 8,12-Epoxy-7(11)-eremophilene-3,6,8,12-tetrol, 8,12-Di-Me ether, 6-angeloyl C22H34O6 394.235538 NA MeJP NA NA +MJ053720 8,13-Epoxy-1,6,9-trihydroxy-14-labden-11-one, 1-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053721 8,13-Epoxy-6,7,9-trihydroxy-14-labden-11-one, 7-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053722 8,13-Epoxy-6,7,9-trihydroxy-14-labden-11-one, 6-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053723 8,13-Epoxy-6,7,9-trihydroxy-14-labden-11-one, 7-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053724 8-Daucene-4,6,10-triol, 8?,9?-Epoxide, 6-angeloyl, 10-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053725 9,13-Epoxy-3,18-dihydroxy-15,16-labdanolide, 18-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053726 9,13-Epoxy-3,18-dihydroxy-15,16-labdanolide, 3-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053727 9,13:15,16-Diepoxy-6,15-dihydroxy-7-labdanone, 6-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053728 9,13:15,16-Diepoxy-8,15-dihydroxy-7-labdanone, 8-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053729 Acanthoaustralide; 17-Acetoxy C22H34O6 394.235538 NA MeJP NA NA +MJ053730 Gingerdiols; [6]-Gingerdiol, 3'-Me ether, 3,5-di-Ac C22H34O6 394.235538 NA MeJP NA NA +MJ053731 Indicol; 4?-Hydroxy, 16-acetoxy C22H34O6 394.235538 NA MeJP NA NA +MJ053732 Javanicin L; 16-Me ether C22H34O6 394.235538 NA MeJP NA NA +MJ053733 Monocyclofarnesoic acid; (1,3-Diacetoxy-2-propyl) ester C22H34O6 394.235538 NA MeJP NA NA +MJ053734 Nigakihemiacetal C; 12-Me ether C22H34O6 394.235538 NA MeJP NA NA +MJ053735 Nigakihemiacetal C; 16-Me ether(16?-) C22H34O6 394.235538 NA MeJP NA NA +MJ053736 Pleuromutilin; 8-Hydroxy C22H34O6 394.235538 NA MeJP NA NA +MJ053737 1,20-Diisothiocyanato-1-eicosene C22H38N2S2 394.24764 NA MeJP NA NA +HMDB11154 LPA(P-16:0e/0:0) C19H39O6P 394.248413 NA HMDB2010 NA NA +MJ053738 17-Hydroxyandrostan-3-one, 17-Benzoyl C26H34O3 394.250794 NA MeJP NA NA +MJ053739 Avarone adduct A C26H34O3 394.250794 NA MeJP NA NA +C14259 Stanolone benzoate C26H34O3 394.2508 NA KEGG NA NA +MJ053740 Oxiramide C25H34N2O2 394.262028 NA MeJP NA NA +C12000 Tylactone C23H38O5 394.2719 NA KEGG NA NA +MJ053741 13-Labdene-8,15-diol, 15-Malonyl C23H38O5 394.271924 NA MeJP NA NA +MJ053742 15,16-Epoxy-3-clerodene-7,15,18-triol, 15-Me ether, 18-Ac C23H38O5 394.271924 NA MeJP NA NA +MJ053743 2-(10-Acetoxyundecyl)-3,5-diethyl-6-methoxy-4H-pyran-4-one C23H38O5 394.271924 NA MeJP NA NA +MJ053744 3-(15-Hydroxyhexadecyl)-4-methyl-2,5-furandione, Ac C23H38O5 394.271924 NA MeJP NA NA +MJ053745 7-Oxo-8-labden-15-oic acid, Glyceryl ester C23H38O5 394.271924 NA MeJP NA NA +MJ053746 9,13:15,16-Diepoxy-6,15-labdanediol, 15-Me ether, 6-Ac C23H38O5 394.271924 NA MeJP NA NA +MJ053747 Gemeprost C23H38O5 394.271924 NA MeJP NA NA +MJ053748 Muamvatin C23H38O5 394.271924 NA MeJP NA NA +MJ053749 Peroxyacarnoic acid A; 21,22-Dihydro C23H38O5 394.271924 NA MeJP NA NA +MJ053750 Protylonolide C23H38O5 394.271924 NA MeJP NA NA +MJ053751 5-Methyl-2-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,4-benzoquinone C27H38O2 394.28718 NA MeJP NA NA +MJ053752 Galloxanthin C27H38O2 394.28718 NA MeJP NA NA +MJ053753 Luvigenin C27H38O2 394.28718 NA MeJP NA NA +MJ053754 Sargaol C27H38O2 394.28718 NA MeJP NA NA +MJ053755 Sargaquinone C27H38O2 394.28718 NA MeJP NA NA +C16258 Petromyzonol C24H42O4 394.3083 NA KEGG NA NA +MJ053756 3,6-Dihydroxy-2-(1-oxo-11-octadecenyl)-2-cyclohexen-1-one, 11',12'-Dihydro C24H42O4 394.308309 NA MeJP NA NA +MJ053757 Cholane-3,7,12,24-tetrol C24H42O4 394.308309 NA MeJP NA NA +MJ053758 Trifarin; 6,7,10,11-Tetrahydro C24H42O4 394.308309 NA MeJP NA NA +MJ053759 1,6-Cyclo-1,10-secoergosta-5,7,9,22-tetraen-3-ol C28H42O 394.323565 NA MeJP NA NA +MJ053760 Ergosta-4,6,22E-trien-3-one C28H42O 394.323565 NA MeJP NA NA +MJ053761 Ergosta-4,6,8(14),22-tetraen-3-ol C28H42O 394.323565 NA MeJP NA NA +MJ053762 Ergosta-4,6,8(14),24(28)-tetraen-3-one; 24,28?-Dihydro C28H42O 394.323565 NA MeJP NA NA +MJ053763 Ergosta-4,7,22-trien-3-one C28H42O 394.323565 NA MeJP NA NA +MJ053764 Ergosta-5,7,14,22-tetraen-3-ol C28H42O 394.323565 NA MeJP NA NA +MJ053765 Ergosta-5,7,22,24(28)-tetraen-3-ol C28H42O 394.323565 NA MeJP NA NA +MJ053766 Ergosta-5,7,22,25-tetraen-3-ol C28H42O 394.323565 NA MeJP NA NA +MJ053767 Ergosta-5,7,9(11),22-tetraen-3-ol C28H42O 394.323565 NA MeJP NA NA +MJ053768 Ergosta-5,7,22,24,(28)-tetraen-3beta-ol C28H42O 394.323566 NA MeJP NA NA +MetaCyc03347 ergosta-5,7,22,23-(28)-tetraen-3-β-ol [ergosta-5,7,22,23,-(28)-tetraen-3-β-ol;] C28H42O1 394.323566 NA metacyc NA NA +MetaCyc03348 5,7,22,24(28)-ergostatetraenol [ergosta-5,7,22,24(24(1))-tetraen-3-β-ol;] C28H42O1 394.323566 NA metacyc NA NA +C05440 Ergosta-5,7,22,24(28)-tetraen-3beta-ol C28H42O 394.3236 NA KEGG NA NA +MJ053769 3-(11-Eicosenyl)dihydro-4-hydroxy-5-methyl-2(3H)-furanone C25H46O3 394.344695 NA MeJP NA NA +MJ053770 Stockerine C24H46N2O2 394.355928 NA MeJP NA NA +MJ053771 24-Nor-4(23),9(11)-fernadiene C29H46 394.359951 NA MeJP NA NA +MJ053772 Stigmasta-1,3,5-triene C29H46 394.359951 NA MeJP NA NA +MJ053773 10,12-Hexacosanedione C26H50O2 394.38108 NA MeJP NA NA +MJ053774 11,13-Hexacosanedione C26H50O2 394.38108 NA MeJP NA NA +MJ053775 17-Hexacosenoic acid C26H50O2 394.38108 NA MeJP NA NA +MJ053776 18-Hexacosenoic acid C26H50O2 394.38108 NA MeJP NA NA +MJ053777 21-Hexacosenoic acid C26H50O2 394.38108 NA MeJP NA NA +MJ053778 26-Hydroxyhexacosanoic acid; Lactone C26H50O2 394.38108 NA MeJP NA NA +MJ053779 4,6-Hexacosanedione C26H50O2 394.38108 NA MeJP NA NA +MJ053780 5,7-Hexacosanedione C26H50O2 394.38108 NA MeJP NA NA +MJ053781 6,8-Hexacosanedione C26H50O2 394.38108 NA MeJP NA NA +MJ053782 6-Heneicosyl-3,4,5,6-tetrahydro-2H-pyran-2-one C26H50O2 394.38108 NA MeJP NA NA +MJ053783 6-Hydroxy-8-hexacosen-3-one C26H50O2 394.38108 NA MeJP NA NA +MJ053784 7,9-Hexacosanedione C26H50O2 394.38108 NA MeJP NA NA +MJ053785 9-Hexacosenoic acid C26H50O2 394.38108 NA MeJP NA NA +MJ053786 Aparajitin C26H50O2 394.38108 NA MeJP NA NA +MJ053787 14-Heptacosanone C27H54O 394.417466 NA MeJP NA NA +MJ053788 3-Methylheptacosane C28H58 394.453851 NA MeJP NA NA +MJ053789 Octacosane C28H58 394.453851 NA MeJP NA NA +3262 b-casomorphin-7 (60-66) YPFPGPI 394.696 MH2+ Inhouse_peptide NA peptide +7665 ACE inhibitor from b-CN (60-66) YPFPGPI 394.696 MH2+ Inhouse_peptide NA peptide +8155 ACE inhibitor from b-CN (125-131) LTLTDVE 394.69945 MH2+ Inhouse_peptide NA peptide +MJ053790 7,9-Dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4,5]deca-2,6,8-triene-3-carboxylic acid, Me ester C11H11Br2NO5 394.900397 NA MeJP NA NA +HMDB02206 Molybdopterin C10H14N5O6PS2 395.012299 NA HMDB2010 NA NA +HMDB02206 Molybdopterin C10H14N5O6PS2 395.0123 http://www.hmdb.ca/metabolites/HMDB02206 HMDB NA NA +C05924 Molybdopterin C10H14N5O6PS2 395.0123 NA KEGG NA NA +HMDB02206 Molybdopterin C10H14N5O6PS2 395.0123 HMDB02206 PFEM_hmdb_metabocards_official NA NA +MJ053791 Tjipanazole J C20H11Cl2N3O2 395.022832 NA MeJP NA NA +C08110 Cefdinir C14H13N5O5S2 395.0358 NA KEGG NA NA +MJ053792 Cefdinir C14H13N5O5S2 395.035809 NA MeJP NA NA +MJ053793 N?-(1H-Indol-3-ylcarbonyl)arginine, 6'-Bromo C15H18BrN5O3 395.059302 NA MeJP NA NA +MJ053794 Antibiotic TAN 850 C12H17N3O10S 395.063464 NA MeJP NA NA +C16856 Gonyautoxin 2 C10H17N7O8S 395.0859 NA KEGG NA NA +C10962 Tribenuron methyl C15H17N5O6S 395.09 NA KEGG NA NA +PJ000856 GCCN C12H21N5O6S2 395.0933 NA PeJP NA NA +PJ000857 GGGCC C12H21N5O6S2 395.0934 NA PeJP NA NA +MJ053795 Balaglitazone C20H17N3O4S 395.093976 NA MeJP NA NA +MJ053796 Fumaflorine; Me ester C21H17NO7 395.100501 NA MeJP NA NA +MJ053797 Ocominarone C21H17NO7 395.100501 NA MeJP NA NA +MJ053798 1-Ethyl-2-[[3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]pyridinium(1+) C21H22N3OS2(+) 395.112603 NA MeJP NA NA +MJ053799 N-(4-Chlorophenyl)-N'-cyano-N''-(6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl)guanidine C20H18ClN5O2 395.114902 NA MeJP NA NA +PJ000858 DMM C14H25N3O6S2 395.1185 NA PeJP NA NA +MJ053800 2,4-Dihydroxy-3-methylenebutanoic acid, Nitrile, 5-(4-hydroxybenzoyl), 2-O-?-D-glucopyranoside C18H21NO9 395.121631 NA MeJP NA NA +MJ053801 Benzomalvin B; 19?,20?-Epoxide C24H17N3O3 395.126991 NA MeJP NA NA +PJ000859 DDF C17H21N3O8 395.1329 NA PeJP NA NA +MJ053802 Dehydrosaulatine C22H21NO6 395.136887 NA MeJP NA NA +MJ053803 Thalflavidine C22H21NO6 395.136887 NA MeJP NA NA +MJ053804 Alborine C22H22NO6(+) 395.136887 NA MeJP NA NA +C12474 Novobiocic acid C22H21NO6 395.1369 NA KEGG NA NA +PJ000860 CHH C15H21N7O4S 395.1376 NA PeJP NA NA +MJ053805 Morniflumate C19H20F3N3O3 395.145676 NA MeJP NA NA +MJ053806 Orbifloxacin C19H20F3N3O3 395.145676 NA MeJP NA NA +MJ053807 Cyclopyrronium(1+); Bromide C20H30BrNO2 395.145991 NA MeJP NA NA +MJ053808 Scaevodimerine A; 1',2'-Didehydro, 1-oxo C21H21N3O5 395.14812 NA MeJP NA NA +MJ053809 Cloricromen C20H26ClNO5 395.14995 NA MeJP NA NA +MJ053810 Karnamicin D1 C18H25N3O5S 395.151491 NA MeJP NA NA +MJ053811 Alazopeptin C15H21N7O6 395.155331 NA MeJP NA NA +8220 antioxidative peptide TFE 395.157 Bile-acid glycine conjugates ;SYN:3a,7a,12a-Trihydroxy-5b-cholan-24-oylglycine; 3a,7a,12a-Trihydroxy-5b-cholanic acid-24-glycine; 3a,7a,12a-Trihydroxy-N-(carboxymethyl)-5b-cholan-24-amide; Cholylglycine; Glycine cholate; Glycocholate; Glycocholic acid; Glycoreductodehydrocholic acid; Glycylcholate; Glycylcholic acid; N-(carboxymethyl)-3a,7a,12a-trihydroxy-5b-Cholan-24-amide; N-Choloylglycine; N-choloyl-GlycineH2Blood; Urine Inhouse_peptide NA peptide +MJ053812 Coelenteramide; 4'-Deoxy C25H21N3O2 395.163376 NA MeJP NA NA +C03717 Oxidized Renilla luciferin C25H21N3O2 395.1634 NA KEGG NA NA +C11563 1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline C25H21N3O2 395.1634 NA KEGG NA NA +C07464 Ketanserin C22H22FN3O3 395.1645 NA KEGG NA NA +MJ053813 Ketanserin C22H22FN3O3 395.164519 NA MeJP NA NA +PJ000861 VDY C18H25N3O7 395.1693 NA PeJP NA NA +3656 NA VTDFYF 395.17045 MH2+ Inhouse_peptide NA peptide +8240 Antioxidative peptide LGFEYY 395.1705 MH2+ Inhouse_peptide NA peptide +MJ053814 14-Hydroxyantofine; N-Oxide(?-) C23H25NO5 395.173272 NA MeJP NA NA +MJ053815 4-Hydroxy-3,6,7-trimethoxyphenanthroindolizidine; 14-Hydroxy C23H25NO5 395.173272 NA MeJP NA NA +MJ053816 Atalaphylline; ?3''-Isomer, 2''?-hydroxy C23H25NO5 395.173272 NA MeJP NA NA +MJ053817 Buxifoliadine E C23H25NO5 395.173272 NA MeJP NA NA +MJ053818 Dihydrosanguilutine C23H25NO5 395.173272 NA MeJP NA NA +MJ053819 Isotylocrebrine, 14?-Hydroxy, 3-O-de-Me C23H25NO5 395.173272 NA MeJP NA NA +MJ053820 Nalorphine; Di-O-Ac C23H25NO5 395.173272 NA MeJP NA NA +MJ053821 Tylophorine, O7-De-Me, N-oxide C23H25NO5 395.173272 NA MeJP NA NA +MJ053822 Tylophorinidine; O6-Me, 5-hydroxy C23H25NO5 395.173272 NA MeJP NA NA +MJ053823 Tylophorinine, N-Oxide C23H25NO5 395.173272 NA MeJP NA NA +MJ053824 Abanoquil C22H25N3O4 395.184506 NA MeJP NA NA +MJ053825 Spirotryprostatin A C22H25N3O4 395.184506 NA MeJP NA NA +MJ053826 Vesnarinone C22H25N3O4 395.184506 NA MeJP NA NA +PJ000862 VMF C19H29N3O4S 395.1879 NA PeJP NA NA +MJ053827 Bisline; 12-Ac C20H29NO7 395.194402 NA MeJP NA NA +MJ053828 Bulgarsenine; O-Ac, N-oxide C20H29NO7 395.194402 NA MeJP NA NA +MJ053829 Platyphylline; (15E)-Isomer, 1?-hydroxy, 12-Ac C20H29NO7 395.194402 NA MeJP NA NA +MJ053830 Platyphylline; 1?-Hydroxy, 12-Ac C20H29NO7 395.194402 NA MeJP NA NA +MJ053831 Retronecine 9-(2,3-dihydroxy-2-hydroxymethylbutanoate) 7-senecioate; 1'''-Deoxy, O3''-Ac C20H29NO7 395.194402 NA MeJP NA NA +MJ053832 Rosmarinine; 12-Ac C20H29NO7 395.194402 NA MeJP NA NA +MJ053833 Spiperone C23H26FN3O2 395.200905 NA MeJP NA NA +MJ053834 Apadoline C23H29N3OS 395.203133 NA MeJP NA NA +PJ000863 TLY C19H29N3O6 395.2056 NA PeJP NA NA +MJ053835 Ethaverine C24H29NO4 395.209658 NA MeJP NA NA +MJ053836 Melovinone C24H29NO4 395.209658 NA MeJP NA NA +MJ053837 Pibaxizine C24H29NO4 395.209658 NA MeJP NA NA +MJ053838 Septicine C24H29NO4 395.209658 NA MeJP NA NA +MJ053839 Tylohirsuticine C24H29NO4 395.209658 NA MeJP NA NA +MetaCyc03349 cetraxate benzyl ester [4-(aminomethyl)cyclohexane-1-carboxylic acid [4-(2- benzyloxycarbonylethyl)phenyl] ester;] C24H29N1O4 395.209658 NA metacyc NA NA +C03256 Cetraxate benzyl ester C24H29NO4 395.2097 NA KEGG NA NA +C03259 Coagulation Factor IXa C24H29NO4 395.2097 NA KEGG NA NA +C03260 Coagulation Factor VII C24H29NO4 395.2097 NA KEGG NA NA +C03261 Coagulation Factor XII C24H29NO4 395.2097 NA KEGG NA NA +C03262 Coagulation Factor XIa C24H29NO4 395.2097 NA KEGG NA NA +MJ053840 Eproxindine C23H29N3O3 395.220891 NA MeJP NA NA +MJ053841 Quinagolide C20H33N3O3S 395.224262 NA MeJP NA NA +MJ053842 Lasiocarpine; 3'-Deoxy C21H33NO6 395.230787 NA MeJP NA NA +MJ053843 Anopterimine C25H33NO3 395.246043 NA MeJP NA NA +MJ053844 Aurachin A C25H33NO3 395.246043 NA MeJP NA NA +MJ053845 Aurachin G; 1',2'-Dihydro C25H33NO3 395.246043 NA MeJP NA NA +MJ053846 N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-?-phenyl-1-piperazinepropanamide C24H33N3O2 395.257277 NA MeJP NA NA +MJ053847 N-(2-Hydroxycyclopentyl)-6-methyl-1-(1-methylethyl)ergoline-8-carboxamide C24H33N3O2 395.257277 NA MeJP NA NA +MJ053848 2-(Aminomethyl)-2-propenoic acid; N-(2-Acetoxy-2-pentadecenoyl), Me ester C22H37NO5 395.267173 NA MeJP NA NA +MJ053849 8-(Diethylamino)octyl 3,4,5-trimethoxybenzoate C22H37NO5 395.267173 NA MeJP NA NA +MJ053850 Aphidicolin; 17-Glycine ester C22H37NO5 395.267173 NA MeJP NA NA +MJ053851 Diamocaine C25H37N3O 395.293662 NA MeJP NA NA +HMDB13334 9,12-Hexadecadienoylcarnitine C23H41NO4 395.303558 NA HMDB2010 NA NA +MJ053852 Verazine; ?4-Isomer, 20-epimer, 3-ketone C27H41NO 395.318814 NA MeJP NA NA +MJ053853 2-(Aminomethyl)-2-propenoic acid; N-Nonadecanoyl, Me ester C24H45NO3 395.339944 NA MeJP NA NA +MJ053854 Inandenin-10-one C23H45N3O2 395.351177 NA MeJP NA NA +MJ053855 Inandenin-11-one C23H45N3O2 395.351177 NA MeJP NA NA +MJ053856 Inandenin-12-one C23H45N3O2 395.351177 NA MeJP NA NA +MJ053857 Inandenin-13-one C23H45N3O2 395.351177 NA MeJP NA NA +8084 peptide derived from tuna cooking juice SHDAHPE 395.65295 MH2+ Inhouse_peptide NA peptide +MJ053858 Arsenic oxide (As4O6) As4O6 395.655873 NA MeJP NA NA +3633 NA YPFGFY~ 395.6755 MH2+ Inhouse_peptide NA peptide +MJ053859 3,3-Dibromo-1-iodo-2-heptanone C7H11Br2IO 395.822133 NA MeJP NA NA +MJ053860 1,8-Dibromo-3,4,7-trichloro-3,7-dimethyl-1,5-octadiene C10H13Br2Cl3 395.844958 NA MeJP NA NA +MJ053861 2-Bromo-1-bromomethyl-1,4-dichloro-5-(2-chloroethenyl)-5-methylcyclohexane C10H13Br2Cl3 395.844958 NA MeJP NA NA +MetaCyc03350 5,5'-dithio-bis(2-nitrobenzoic acid) [5-(3-carboxy-4-nitro-phenyl)disulfanyl-2-nitro-benzoic acid;DTNB;] C14H8N2O8S2 395.972207 NA metacyc NA NA +MJ053862 2,10-Dibromo-3-chloro-7-chamigrene C15H23Br2Cl 395.985503 NA MeJP NA NA +MJ053863 3,10-Dibromo-2-chloro-7(14)-chamigrene C15H23Br2Cl 395.985503 NA MeJP NA NA +MJ053864 Sulconazole C18H15Cl3N2S 396.002152 NA MeJP NA NA +C08076 Sulconazole C18H15Cl3N2S 396.0022 NA KEGG NA NA +C08077 Transferred to D00886 C18H15Cl3N2S 396.0022 NA KEGG NA NA +C08078 Transferred to D00887 C18H15Cl3N2S 396.0022 NA KEGG NA NA +MJ053865 Sucralose C12H19Cl3O8 396.01455 NA MeJP NA NA +C12285 Sucralose C12H19Cl3O8 396.0146 NA KEGG NA NA +FL3FECNSS004 6-Methoxyluteolin 7-sulfate C16H12O10S 396.01511 111534-77-1 knapsack NA NA +FL3FECNSS006 6-Hydroxyluteolin 3'-methyl ether 7-sulfate C16H12O10S 396.01511 111509-43-4 knapsack NA NA +FL5FADNSS001 Persicarin C16H12O10S 396.01511 549-31-5 knapsack NA NA +FL5FADNSS002 Isorhamnetin 7-O-sulfate C16H12O10S 396.01511 56857-60-4 knapsack NA NA +FL5FAENSS001 Tamarixetin 3-O-sulfate C16H12O10S 396.01511 97736-73-7 knapsack NA NA +FL5FCCNSS001 Rhamnetin 3-O-sulfate C16H12O10S 396.01511 60889-08-9 knapsack NA NA +FL5FEANSS001 6-Hydroxykaempferol 3-methyl ether 7-O-sulfate C16H12O10S 396.01511 78876-28-5 knapsack NA NA +FL5FEANSS002 6-Methoxykaempferol 3-O-sulfate C16H12O10S 396.01511 111348-29-9 knapsack NA NA +MJ053866 3',4',5,7-Tetrahydroxy-6-methoxyflavone; 7-O-Sulfate C16H12O10S 396.015117 NA MeJP NA NA +MJ053867 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-Sulfate C16H12O10S 396.015117 NA MeJP NA NA +MJ053868 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-Sulfate C16H12O10S 396.015117 NA MeJP NA NA +MJ053869 3,4',5,6,7-Pentahydroxyflavone; 3-Me ether, 7-sulfate C16H12O10S 396.015117 NA MeJP NA NA +MJ053870 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-Sulfate C16H12O10S 396.015117 NA MeJP NA NA +MJ053871 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 7-O-Sulfate C16H12O10S 396.015117 NA MeJP NA NA +MJ053872 3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-Sulfate C16H12O10S 396.015117 NA MeJP NA NA +MJ053873 4',5,6,7-Tetrahydroxy-3'-methoxyflavone; 7-O-Sulfate C16H12O10S 396.015117 NA MeJP NA NA +MJ053874 Allorhizin C18H14Cl2O6 396.016743 NA MeJP NA NA +MJ053875 Pannarin; 7-Chloro C18H14Cl2O6 396.016743 NA MeJP NA NA +MJ053876 7-Bromo-7-dechlorogriseofulvin C17H17BrO6 396.02085 NA MeJP NA NA +MJ053877 Obtusenol C15H26Br2O2 396.029955 NA MeJP NA NA +MJ053878 Cefalotin C16H16N2O6S2 396.044977 NA MeJP NA NA +C07761 Cephalothin C16H16N2O6S2 396.045 NA KEGG NA NA +C07762 Transferred to D00653 C16H16N2O6S2 396.045 NA KEGG NA NA +MJ053879 Vicanicin; Me ether C19H18Cl2O5 396.053129 NA MeJP NA NA +MJ053880 Australisin C17H16O11 396.069261 NA MeJP NA NA +CJneg0590 Hippuric acid [(2M-2H+K)]- C18H16KN2O6 396.072925 C18rt(min)=5.87 Neg identified a,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0590 Hippuric acid [(2M-2H+K)]- C18H16KN2O6 396.072925 C18rt(min)=5.87 Neg identified a,c,d base_CJunot_PubAnalChem2012_NEG negative NA +PJ000864 GCCD C12H20N4O7S2 396.0774 NA PeJP NA NA +C12415 Nogalonic acid methyl ester C21H16O8 396.0845 NA KEGG NA NA +C12417 Auraviketone C21H16O8 396.0845 NA KEGG NA NA +C12421 Aklanonic acid C21H16O8 396.0845 NA KEGG NA NA +FL5FECNF0001 3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone C21H16O8 396.08451 77970-08-2 knapsack NA NA +MJ053881 2-(1,3-Benzodioxol-5-yl)-5,6-dimethoxy-4H-furo[2,3-h]-1-benzopyran-4-one; 3-Methoxy C21H16O8 396.084517 NA MeJP NA NA +MJ053882 4'-Demethylpodophyllotoxin; 7,7',8,8'-Tetradehydro C21H16O8 396.084517 NA MeJP NA NA +MJ053883 Aklanonic acid C21H16O8 396.084517 NA MeJP NA NA +MJ053884 Antibiotic F 9775A C21H16O8 396.084517 NA MeJP NA NA +MJ053885 Antibiotic F 9775B C21H16O8 396.084517 NA MeJP NA NA +MJ053886 Antibiotic RF 3192A C21H16O8 396.084517 NA MeJP NA NA +MJ053887 Benzo[1,2-b:4,5-b']bisbenzofuran-2,3,6,8,9,12-hexol; 3,8,12-Tri-Me ether C21H16O8 396.084517 NA MeJP NA NA +MJ053888 Mitorubrin, 3'-Oxo C21H16O8 396.084517 NA MeJP NA NA +MJ053889 Sulfazecin C12H20N4O9S 396.095098 NA MeJP NA NA +MJ053890 Fentirin C19H22Cl2N2O3 396.100747 NA MeJP NA NA +MJ053891 2,5-Dihydroxybenzyl alcohol; 1'-O-(2-Furoyl), 2-O-?-D-glucopyranoside C18H20O10 396.105646 NA MeJP NA NA +MJ053892 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(2-O-Acetyl-?-D-glucopyranoside) C18H20O10 396.105646 NA MeJP NA NA +MJ053893 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(6-O-Acetyl-?-D-glucopyranoside) C18H20O10 396.105646 NA MeJP NA NA +PJ000865 GSCM C13H24N4O6S2 396.1137 NA PeJP NA NA +MJ053894 Diphenicillin C21H20N2O4S 396.114377 NA MeJP NA NA +FL3FAINP0001 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one C22H20O7 396.1209 259814-39-6 knapsack NA NA +FL3FRNNF0002 Artonin L;5a,6-Dihydro-3,8-dihydroxy-1,10-dimethoxy-5,5-dimethyl-5H,7H-benzofuro[3,4-bc]xanthen-7-one C22H20O7 396.1209 148719-52-2 knapsack NA NA +FL3FRNNR0001 Artoindonesianin S;5,6-Dihydro-1,4,8-trihydroxy-3,10-dimethoxy-5-(1-methylethenyl)-7H-benzo[c]xanthen-7-one C22H20O7 396.1209 502718-04-9 knapsack NA NA +FL5FDCNF0002 8-C-Methylvelloquercetin 3-methyl ether C22H20O7 396.1209 148335-05-1 knapsack NA NA +FL5FDDNF0001 Velloquercetin 3,3'-dimethyl ether C22H20O7 396.1209 139955-65-0 knapsack NA NA +FLIAAINP0001 Pumilaisoflavone D C22H20O7 396.1209 122221-91-4 knapsack NA NA +FLIAALNP0005 Elongatin C22H20O7 396.1209 58084-80-3 knapsack NA NA +FLIF1LNF0010 3-O-Demethylamorphigenin C22H20O7 396.1209 98619-30-8 knapsack NA NA +MJ053895 1,8-Dihydroxy-3-(methoxycarbonylmethyl)-2-(3-oxopentyl)anthraquinone C22H20O7 396.120902 NA MeJP NA NA +MJ053896 3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4,5,7-Tetra-Me ether C22H20O7 396.120902 NA MeJP NA NA +MJ053897 4,6,9-Trihydroxy-10-methyl[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one; 6-Pentanoyl C22H20O7 396.120902 NA MeJP NA NA +MJ053898 5-Hydroxy-2,2-dimethyl-8-(3,4,5-trihydroxyphenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one; 3',5'-Di-Me ether C22H20O7 396.120902 NA MeJP NA NA +MJ053899 8-C-Methylvellokaempferol; 3'-Hydroxy, 3-Me ether C22H20O7 396.120902 NA MeJP NA NA +MJ053900 Aklavinone, 4-Deoxy C22H20O7 396.120902 NA MeJP NA NA +MJ053901 Amorphigenin; 3-O-De-Me C22H20O7 396.120902 NA MeJP NA NA +MJ053902 Artonin K; 6'-Me ether C22H20O7 396.120902 NA MeJP NA NA +MJ053903 Austocystin B C22H20O7 396.120902 NA MeJP NA NA +MJ053904 Averufin; 6,8-Di-Me ether C22H20O7 396.120902 NA MeJP NA NA +MJ053905 Collybolidol; 9-Epimer, O-benzoyl C22H20O7 396.120902 NA MeJP NA NA +MJ053906 Collybolidol; O-Benzoyl C22H20O7 396.120902 NA MeJP NA NA +MJ053907 Elliptone, 12S-Alcohol, Ac C22H20O7 396.120902 NA MeJP NA NA +MJ053908 Elongatin C22H20O7 396.120902 NA MeJP NA NA +MJ053909 Fernolin C22H20O7 396.120902 NA MeJP NA NA +MJ053910 Hyptinin C22H20O7 396.120902 NA MeJP NA NA +MJ053911 Mitorubrin, 2''-Me ether C22H20O7 396.120902 NA MeJP NA NA +MJ053912 Pumilaisoflavone D C22H20O7 396.120902 NA MeJP NA NA +MJ053913 Toxicarolisoflavone; 4'-De-O-Me C22H20O7 396.120902 NA MeJP NA NA +MJ053914 Velloquercetin; 3',4'-Di-Me ether C22H20O7 396.120902 NA MeJP NA NA +MJ053915 Velloquercetin; 3,3'-Di-Me ether C22H20O7 396.120902 NA MeJP NA NA +MJ053916 ?-Apopicropodophyllin C22H20O7 396.120902 NA MeJP NA NA +MJ053917 Muralioside; 7-Epimer, 10-hydroxy C15H24O12 396.126776 NA MeJP NA NA +MetaCyc03351 phosphon D [CBBP;chlorfonium;chlorphonium;phosphon;] C19H32P1CL3 396.130721 NA metacyc NA NA +PJ000866 SSTC C13H24N4O8S 396.1315 NA PeJP NA NA +MJ053918 Tripchlorolide C20H25ClO6 396.133966 NA MeJP NA NA +MJ053919 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 10,13-Di-Ac C19H24O9 396.142032 NA MeJP NA NA +MJ053920 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8,13-Di-Ac C19H24O9 396.142032 NA MeJP NA NA +MJ053921 3,10-Dihydroxy-4,11-dodecadiene-6,8-diynoic acid, 10-O-?-D-Glucopyranoside, Me ester C19H24O9 396.142032 NA MeJP NA NA +MJ053922 3,4,7,8,15-Scirpenepentol, 8-Ketone, 4,15-di-Ac C19H24O9 396.142032 NA MeJP NA NA +MJ053923 3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 15-Hydroperoxide, 8-(2-hydroxymethyl-2-propenoyl) C19H24O9 396.142032 NA MeJP NA NA +MJ053924 3,8,9,10-Tetrahydroxy-4,11(13)-guaiadien-12,6-olide, 3-Hydroperoxide, 8,9-di-Ac C19H24O9 396.142032 NA MeJP NA NA +MJ053925 4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8,10-Di-Ac C19H24O9 396.142032 NA MeJP NA NA +MJ053926 4,8,9,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 4-Hydroperoxide, 8,9-di-Ac C19H24O9 396.142032 NA MeJP NA NA +MJ053927 4-Hydroxy-5-benzofuranpropanoic acid; Et ester, O-?-D-glucopyranoside C19H24O9 396.142032 NA MeJP NA NA +MJ053928 5,7-Dihydroxy-2,2,8-trimethyl-2H-1-benzopyran-6-carboxaldehyde; 7-O-?-D-Glucopyranoside C19H24O9 396.142032 NA MeJP NA NA +MJ053929 6,10-Epoxy-4,8,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8,13-Di-Ac C19H24O9 396.142032 NA MeJP NA NA +MJ053930 6-Hydroxy-5-benzofuranpropanoic acid; Et ester, O-?-D-glucopyranoside C19H24O9 396.142032 NA MeJP NA NA +MJ053931 7-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylylic acid; Me ether, ?-D-glucopyranosyl ester C19H24O9 396.142032 NA MeJP NA NA +MJ053932 8-?-D-Glucopyranosyl-5,7-dihydroxy-2-(1-methylpropyl)-4H-1-benzopyran-4-one C19H24O9 396.142032 NA MeJP NA NA +MJ053933 8-Glucosyl-5,7-dihydroxy-2-(1-methylpropyl)chromone C19H24O9 396.142032 NA MeJP NA NA +MJ053934 Aloesinol C19H24O9 396.142032 NA MeJP NA NA +MJ053935 Aloesol; 7-O-?-D-Glucopyranoside C19H24O9 396.142032 NA MeJP NA NA +MJ053936 Arenophthalide C19H24O9 396.142032 NA MeJP NA NA +MJ053937 Scoloposide C; O6-Deacyl C19H24O9 396.142032 NA MeJP NA NA +PJ000867 CQF C17H24N4O5S 396.1468 NA PeJP NA NA +MJ053938 N-[?-(Methoxycarbonyl)benzyl]-2-phenylquinoline-4-carboxamide C25H20N2O3 396.147392 NA MeJP NA NA +FL1C1LNP0002 Glabrachalcone C23H24O6 396.15728 87457-88-3 knapsack NA NA +FL1C2CNP0001 Ponganone VI;6'',6''-Dimethylpyrano[2'',3'':4',3']-2'-hydroxy-3,4,5'-trimethoxychalcone C23H24O6 396.15728 142608-92-2 knapsack NA NA +FL1CBFNP0001 Glychalcone B;6'',6''-Dimethylpyrano[2'',3'':4',3']-2'-hydroxy-3,4,6'-trimethoxychalcone C23H24O6 396.15728 143885-76-1 knapsack NA NA +FL1CCFNP0001 6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-3,4,4'-trimethoxychalcone C23H24O6 396.15728 143885-79-4 knapsack NA NA +FL1CDCNI0001 Ovalichalcone A C23H24O6 396.15728 73291-17-5 knapsack NA NA +FL1CHYNI0006 Pongagallone B C23H24O6 396.15728 107585-62-6 knapsack NA NA +FL2F2CNP0002 Ponganone IV;(2S)-6,3',4'-Trimethoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone C23H24O6 396.15728 142608-90-0 knapsack NA NA +FL2FBFNP0001 Glyflavanone B;(2S)-5,3',4'-Trimethyoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone C23H24O6 396.15728 167568-53-8 knapsack NA NA +FL3FCCNI0001 Muxiangrin III;Muxiangrine III;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5-hydroxy-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one C23H24O6 396.15728 223917-06-4 knapsack NA NA +FLID3CNI0002 Neoraucarpan;3,4-Dimethoxy-8,9-methylenedioxy-2-prenylpterocarpan C23H24O6 396.15728 63343-92-0 knapsack NA NA +FLIF1LNI0002 Rotenonic acid C23H24O6 396.15728 70191-71-8 knapsack NA NA +FLIFUNNF0001 7a-O-Methyldeguelol C23H24O6 396.15728 851606-54-7 knapsack NA NA +FLIFUNNP0001 Rotenol C23H24O6 396.15728 08/12/3276 knapsack NA NA +MJ053939 1,3,5,6-Tetrahydroxy-2,4-diprenylxanthone C23H24O6 396.157288 NA MeJP NA NA +MJ053940 1,3,5,6-Tetrahydroxy-2,7-diprenylxanthone C23H24O6 396.157288 NA MeJP NA NA +MJ053941 1,3,5,8-Tetrahydroxy-2,4-diprenylxanthone C23H24O6 396.157288 NA MeJP NA NA +MJ053942 1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone C23H24O6 396.157288 NA MeJP NA NA +MJ053943 1,9-Bis(3,4-methylenedioxyphenyl)-1,3-nonanedione C23H24O6 396.157288 NA MeJP NA NA +MJ053944 2',3,4,4',6'-Pentahydroxy-3'-prenylchalcone; 4',6'-Di-Me, 3,4-methylene ether C23H24O6 396.157288 NA MeJP NA NA +MJ053945 3',4',5,7-Tetrahydroxy-6,8-dimethyl-5'-prenylflavone; 7-Me ether C23H24O6 396.157288 NA MeJP NA NA +MJ053946 3',4',5,7-Tetrahydroxy-8-prenylflavanone, 5,7-Di-Me ether, 3',4'-methylene ether C23H24O6 396.157288 NA MeJP NA NA +MJ053947 3',4',6,7-Tetrahydroxy-8-prenylisoflavone; 3',4',6-Tri-Me ether C23H24O6 396.157288 NA MeJP NA NA +MJ053948 4-(1,1-Dimethyl-2-propenyl)-1,3,5,6-tetrahydroxy-7-prenylxanthone C23H24O6 396.157288 NA MeJP NA NA +MJ053949 4-(3,7-Dimethyl-2,6-octadienyl)-1,3,5,6-tetrahydroxyxanthone C23H24O6 396.157288 NA MeJP NA NA +MJ053950 Alvaxanthone C23H24O6 396.157288 NA MeJP NA NA +MJ053951 Calycinoxanthone D C23H24O6 396.157288 NA MeJP NA NA +MJ053952 Citflavanone, 3'-Methoxy, di-Me ether C23H24O6 396.157288 NA MeJP NA NA +MJ053953 Citrunobin; 3-Methoxy, 4-Me ether C23H24O6 396.157288 NA MeJP NA NA +MJ053954 Cudraniaxanthone; 3-O-De-Me, 6-O-(3-methyl-2-butenyl) C23H24O6 396.157288 NA MeJP NA NA +MJ053955 Cudraxanthone E; O-De-Me C23H24O6 396.157288 NA MeJP NA NA +MJ053956 Cudraxanthone J C23H24O6 396.157288 NA MeJP NA NA +MJ053957 Cudraxanthone L C23H24O6 396.157288 NA MeJP NA NA +MJ053958 Cudraxanthone M C23H24O6 396.157288 NA MeJP NA NA +MJ053959 Curcumin III; 3',3''-Dimethoxy C23H24O6 396.157288 NA MeJP NA NA +MJ053960 Gerontoxanthone C C23H24O6 396.157288 NA MeJP NA NA +MJ053961 Gerontoxanthone G C23H24O6 396.157288 NA MeJP NA NA +MJ053962 Gerontoxanthone I C23H24O6 396.157288 NA MeJP NA NA +MJ053963 Glabrachalcone C23H24O6 396.157288 NA MeJP NA NA +MJ053964 Glychalcone A; 3'-Methoxy C23H24O6 396.157288 NA MeJP NA NA +MJ053965 Isolonchocarpin, 3',4',6-Trimethoxy C23H24O6 396.157288 NA MeJP NA NA +MJ053966 Isorheediaxanthone B C23H24O6 396.157288 NA MeJP NA NA +MJ053967 Macluraxanthone B C23H24O6 396.157288 NA MeJP NA NA +MJ053968 Morusignin G C23H24O6 396.157288 NA MeJP NA NA +MJ053969 Morusignin H C23H24O6 396.157288 NA MeJP NA NA +MJ053970 Neoraucarpanol; Me ether C23H24O6 396.157288 NA MeJP NA NA +MJ053971 Patulone C23H24O6 396.157288 NA MeJP NA NA +MJ053972 Paxanthonin; O-De-Me C23H24O6 396.157288 NA MeJP NA NA +MJ053973 Pongagallone B C23H24O6 396.157288 NA MeJP NA NA +MJ053974 Ponganone VI C23H24O6 396.157288 NA MeJP NA NA +MJ053975 Rheediaxanthone B C23H24O6 396.157288 NA MeJP NA NA +MJ053976 Rheediaxanthone C C23H24O6 396.157288 NA MeJP NA NA +MJ053977 Subelliptenone B C23H24O6 396.157288 NA MeJP NA NA +MJ053978 Subelliptenone I C23H24O6 396.157288 NA MeJP NA NA +MJ053979 Thwaitesixanthone; 5-Hydroxy, 1,2,11,12-tetrahydro C23H24O6 396.157288 NA MeJP NA NA +MJ053980 Tinifolin C23H24O6 396.157288 NA MeJP NA NA +MJ053981 Vismione B; 9-O-Ac C23H24O6 396.157288 NA MeJP NA NA +C10063 Gartanin C23H24O6 396.1573 NA KEGG NA NA +MJ053982 Pradofloxacin C21H21FN4O3 396.159768 NA MeJP NA NA +MJ053983 7,8-Epoxy-3,6-dihydroxy-12,8-eremophilanolide, 3-(3-Methylthiopropenoyl)(Z-), 6-Me ether C20H28O6S 396.160659 NA MeJP NA NA +MJ053984 Tiaprost C20H28O6S 396.160659 NA MeJP NA NA +MJ053985 2-Methylbutanoic acid, [?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranosyl] ester C16H28O11 396.163161 NA MeJP NA NA +PJ000868 SQY C17H24N4O7 396.1645 NA PeJP NA NA +MJ053986 Aplysiadiol; 15-Me ether C21H33BrO2 396.166392 NA MeJP NA NA +MJ053987 5-Carboxytetrahydroalstonine; 5?-form C22H24N2O5 396.168521 NA MeJP NA NA +MJ053988 Benazeprilat C22H24N2O5 396.168521 NA MeJP NA NA +MJ053989 Chanofruticosine methyl ester; 11,12-Methylenedioxy, N1-de(methoxycarbonyl) C22H24N2O5 396.168521 NA MeJP NA NA +MJ053990 Corynantheidinalinic acid; 9-Methoxy C22H24N2O5 396.168521 NA MeJP NA NA +MJ053991 Difforlemenine C22H24N2O5 396.168521 NA MeJP NA NA +MJ053992 Fumaramidine C22H24N2O5 396.168521 NA MeJP NA NA +MJ053993 Fumaridine C22H24N2O5 396.168521 NA MeJP NA NA +MJ053994 Gardfloramine C22H24N2O5 396.168521 NA MeJP NA NA +MJ053995 Icajine; 19?,20?-Epoxide, 15-hydroxy C22H24N2O5 396.168521 NA MeJP NA NA +MJ053996 Vincarinine C22H24N2O5 396.168521 NA MeJP NA NA +MJ053997 Vomicine; 19?,20?-Epoxide C22H24N2O5 396.168521 NA MeJP NA NA +MJ053998 ?-Colubrine; 12,16-Dihydroxy C22H24N2O5 396.168521 NA MeJP NA NA +MJ053999 ?-Colubrine; 12-Hydroxy, Nb-oxide C22H24N2O5 396.168521 NA MeJP NA NA +MJ054000 Chlorovulones, 10?,11?-Epoxide C21H29ClO5 396.170351 NA MeJP NA NA +PJ000869 GSPH C16H24N6O6 396.1758 NA PeJP NA NA +MJ054001 1,6,8-Trihydroxy-15-oxo-11(13)-eudesmen-12-oic acid, 8-(2-Hydroxymethyl-2-propenoyl), Me ester C20H28O8 396.178417 NA MeJP NA NA +MJ054002 2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Dihydroxy-2-hydroxymethylbutanoyl) C20H28O8 396.178417 NA MeJP NA NA +MJ054003 3,10-Epoxy-1,3,8,15-tetrahydroxy-4,11(13)-germacradien-12,6-olide, 4?,5-Dihydro, 8-angeloyl C20H28O8 396.178417 NA MeJP NA NA +MJ054004 3,10-Epoxy-1,3,8,15-tetrahydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl) C20H28O8 396.178417 NA MeJP NA NA +MJ054005 4,12-Tetradecadiene-8,10-diyne-1,6,7-triol, 6-O-?-D-Glucopyranoside C20H28O8 396.178417 NA MeJP NA NA +MJ054006 4,12-Tetradecadiene-8,10-diyne-1,6,7-triol; 6-O-?-D-Glucopyranoside C20H28O8 396.178417 NA MeJP NA NA +MJ054007 4,15-Epoxy-1,6,8-trihydroxy-11(13)-eudesmen-12-oic acid, 8-(2-Hydroxymethylpropenoyl), Me ester C20H28O8 396.178417 NA MeJP NA NA +MJ054008 4-Hydroxy-3-(3-hydroxy-3-methyl-1-butenyl)acetophenone, 3'-Me ether, 4-O-?-D-glucopyranoside C20H28O8 396.178417 NA MeJP NA NA +MJ054009 6,15-Epoxy-1,8,15-trihydroxy-11(13)-eudesmen-12-oic acid, 8-O-(2-Hydroxymethyl-2-propenoyl), Me ester C20H28O8 396.178417 NA MeJP NA NA +MJ054010 6,8,15-Trihydroxy-1,3,11(13)-elematrien-12-oic acid, 8-(2,3-Epoxy-2-hydroxymethylpropanoyl), Me ester C20H28O8 396.178417 NA MeJP NA NA +MJ054011 8,9,15-Trihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-(3-Methylbutanoyl) C20H28O8 396.178417 NA MeJP NA NA +MJ054012 Eremantholide B; ?4(15)-Isomer, 5?-hydroxy, 12,6-hydroxyacid C20H28O8 396.178417 NA MeJP NA NA +MJ054013 Gibberellin A41 C20H28O8 396.178417 NA MeJP NA NA +MJ054014 Glaucarubol C20H28O8 396.178417 NA MeJP NA NA +MJ054015 Isopterosin C, 1-O-?-D-Glucopyranoside C20H28O8 396.178417 NA MeJP NA NA +MJ054016 Klaineanone; 14?,15?-Dihydroxy C20H28O8 396.178417 NA MeJP NA NA +MJ054017 Picrodendrin O C20H28O8 396.178417 NA MeJP NA NA +MJ054018 Pterosin C, 4-O-?-D-Glucopyranoside C20H28O8 396.178417 NA MeJP NA NA +MJ054019 Pterosin C, 10-O-?-D-Glucopyranoside C20H28O8 396.178417 NA MeJP NA NA +MJ054020 Pterosin C, 4'-O-?-D-Glucopyranoside C20H28O8 396.178417 NA MeJP NA NA +MJ054021 Pterosin D, 5-Hydroxy, 10-O-?-L-arabinopyranoside C20H28O8 396.178417 NA MeJP NA NA +MJ054022 Pterosin L, 10-O-?-L-Arabinopyranoside C20H28O8 396.178417 NA MeJP NA NA +MJ054023 Pterosin M, 4-O-?-D-Glucopyranoside C20H28O8 396.178417 NA MeJP NA NA +MJ054024 Pterosin P, 4-O-?-D-Glucopyranoside C20H28O8 396.178417 NA MeJP NA NA +MJ054025 Sculponeatin D C20H28O8 396.178417 NA MeJP NA NA +MJ054026 Soulameanone C20H28O8 396.178417 NA MeJP NA NA +MJ054027 Vermiculin, 4S,12S-Dialcohol C20H28O8 396.178417 NA MeJP NA NA +PJ000870 CKF C18H28N4O4S 396.1831 NA PeJP NA NA +3768 dipeptidyl carboxypeptidase inhibitor PPSP 396.188 ACE inhibitor Inhouse_peptide NA peptide +3778 dipeptidyl carboxypeptidase inhibitor PPPS 396.188 ACE inhibitor Inhouse_peptide NA peptide +FL1DHXNI0002 alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone C24H28O5 396.19367 - knapsack NA NA +MJ054028 10-(1-Ethenyl-1,5-dimethyl-4-hexenyl)-5-hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one; ?3'-Isomer, 5'-hydroxy C24H28O5 396.193674 NA MeJP NA NA +MJ054029 15-Hydroxy-3,11(13)-eudesmadien-12-oic acid; 4-Hydroxycinnamoyl (E-) C24H28O5 396.193674 NA MeJP NA NA +MJ054030 15-Hydroxy-3,11(13)-eudesmadien-12-oic acid; 4-Hydroxycinnamoyl (Z-) C24H28O5 396.193674 NA MeJP NA NA +MJ054031 2'-(3,6-Dimethyl-2-heptenyl)-3',4',7-trihydroxyflavanone C24H28O5 396.193674 NA MeJP NA NA +MJ054032 2'-Deoxy-2'-(3-methyl-2-butenoyl)bruceol; 1''-Deoxo, ?1''-isomer, 3''-hydroxy C24H28O5 396.193674 NA MeJP NA NA +MJ054033 2,4,6-Trihydroxy-3,5-diprenylbenzophenone; 4'-Hydroxy, 4-Me ether C24H28O5 396.193674 NA MeJP NA NA +MJ054034 2,4-Dihydroxy-6-(2-phenylethyl)-3-prenylbenzoic acid; 4-O-(2-Methylpropanoyl) C24H28O5 396.193674 NA MeJP NA NA +MJ054035 8-(3,6-Dimethyl-2-heptenyl)-4',5,7-trihydroxyflavanone C24H28O5 396.193674 NA MeJP NA NA +MJ054036 Aphyllocladone C24H28O5 396.193674 NA MeJP NA NA +MJ054037 Clausarin; 2'',3''-Epoxide C24H28O5 396.193674 NA MeJP NA NA +MJ054038 Glechonin B C24H28O5 396.193674 NA MeJP NA NA +MJ054039 Hassanidin C24H28O5 396.193674 NA MeJP NA NA +MJ054040 Isovismiaphenone B; 3,4-Dihydro, 3-hydroxy, 5-Me ether C24H28O5 396.193674 NA MeJP NA NA +MJ054041 Karatavic acid C24H28O5 396.193674 NA MeJP NA NA +MJ054042 O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone, 6'-Ketone C24H28O5 396.193674 NA MeJP NA NA +MJ054043 O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone, 3'-Ketone C24H28O5 396.193674 NA MeJP NA NA +MJ054044 O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone, 6'-Ketone C24H28O5 396.193674 NA MeJP NA NA +MJ054045 Trichodermolide C24H28O5 396.193674 NA MeJP NA NA +C14638 9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene- C21H29FO6 396.1948 NA KEGG NA NA +MJ054046 Zwittermicin A C13H28N6O8 396.196861 NA MeJP NA NA +C15726 Zwittermicin A C13H28N6O8 396.1969 NA KEGG NA NA +C18044 3beta-Hydroxypregn-5-en-20-one sulfate C21H32O5S 396.197 NA KEGG NA NA +HMDB00774 Pregnenolone sulfate C21H32O5S 396.19705 http://www.hmdb.ca/metabolites/HMDB00774 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00774 Pregnenolone sulfate C21H32O5S 396.19705 http://www.hmdb.ca/metabolites/HMDB00774 HMDB NA NA +HMDB00774 Pregnenolone sulfate C21H32O5S 396.19705 http://www.hmdb.ca/metabolites/HMDB00774 PFEM_hmdb_metabocards_blood NA blood +HMDB00774 Pregnenolone sulfate C21H32O5S 396.19705 HMDB00774 PFEM_hmdb_metabocards_official NA NA +HMDB00774 Pregnenolone sulfate C21H32O5S 396.197052 NA HMDB2010 NA NA +MJ054047 1-(3-Phenylpropyl)-4-[[2-(3-pyridinyl)-4-thiazolidinyl]carbonyl]piperazine C22H28N4OS 396.198382 NA MeJP NA NA +MJ054048 1-Hexanol; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C17H32O10 396.199547 NA MeJP NA NA +MJ054049 1-Hexanol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C17H32O10 396.199547 NA MeJP NA NA +MJ054050 1-Hexanol; O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C17H32O10 396.199547 NA MeJP NA NA +7998 synthetic peptide LHQ 396.2 antioxidative Inhouse_peptide NA peptide +PJ000871 SKY C18H28N4O6 396.2009 NA PeJP NA NA +C11784 Echitovenine C23H28N2O4 396.2049 NA KEGG NA NA +MJ054051 2-[2-(Dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid C23H28N2O4 396.204907 NA MeJP NA NA +MJ054052 Akuammidine; 10-Methoxy, N1-Me C23H28N2O4 396.204907 NA MeJP NA NA +MJ054053 Akuammiline; 1,2?-Dihydro C23H28N2O4 396.204907 NA MeJP NA NA +MJ054054 Akuammine; 10-Deoxy, 17S-methoxy C23H28N2O4 396.204907 NA MeJP NA NA +MJ054055 Akuammine; Me ether C23H28N2O4 396.204907 NA MeJP NA NA +MJ054056 Alloyohimbine, O-Ac C23H28N2O4 396.204907 NA MeJP NA NA +MJ054057 Cathafoline; 11-Methoxy, 10-formyl C23H28N2O4 396.204907 NA MeJP NA NA +MJ054058 Henningsoline; 12-Deoxy, 17-epimer, O17-Me C23H28N2O4 396.204907 NA MeJP NA NA +MJ054059 Holstiine; Me ether C23H28N2O4 396.204907 NA MeJP NA NA +MJ054060 Isositsirikine, O-Ac C23H28N2O4 396.204907 NA MeJP NA NA +MJ054061 Minovincinine, O-Ac C23H28N2O4 396.204907 NA MeJP NA NA +MJ054062 Mollenine A; N7-Formyl C23H28N2O4 396.204907 NA MeJP NA NA +MJ054063 Ochropamine; 11-Methoxy C23H28N2O4 396.204907 NA MeJP NA NA +MJ054064 Pacrinolol C23H28N2O4 396.204907 NA MeJP NA NA +MJ054065 Paynantheine C23H28N2O4 396.204907 NA MeJP NA NA +MJ054066 Perakine; Di-Me acetal C23H28N2O4 396.204907 NA MeJP NA NA +MJ054067 Pleiocarpine C23H28N2O4 396.204907 NA MeJP NA NA +MJ054068 Quinine; Ethylcarbonate C23H28N2O4 396.204907 NA MeJP NA NA +MJ054069 Refractidine C23H28N2O4 396.204907 NA MeJP NA NA +MJ054070 Refractine C23H28N2O4 396.204907 NA MeJP NA NA +MJ054071 Strychnobrasiline; 10-Methoxy C23H28N2O4 396.204907 NA MeJP NA NA +MJ054072 Tsilanine; 10-Methoxy C23H28N2O4 396.204907 NA MeJP NA NA +MJ054073 Vincamajine; 10-Methoxy C23H28N2O4 396.204907 NA MeJP NA NA +MJ054074 Vincamajine; 11-Methoxy C23H28N2O4 396.204907 NA MeJP NA NA +MJ054075 Yohimbine, O-Ac C23H28N2O4 396.204907 NA MeJP NA NA +MJ054076 Mitragynine; 3,N-Didehydro C23H29N2O4(+) 396.204907 NA MeJP NA NA +MJ054077 Polyneuridine; 11-Hydroxy, N1,N4-di-Me C23H29N2O4(+) 396.204907 NA MeJP NA NA +MJ054078 Polyneuridine; 11-Methoxy, N4-Me C23H29N2O4(+) 396.204907 NA MeJP NA NA +PJ000872 LQH C17H28N6O5 396.2121 NA PeJP NA NA +MJ054079 Etarotene C25H32O2S 396.2123 NA MeJP NA NA +MJ054080 1,4,6,8-Tetrahydroxy-11(13)-eudesmen-12-oic acid, 6-Angeloyl, Me ester C21H32O7 396.214803 NA MeJP NA NA +MJ054081 11-Hydroxy-3-copaen-2-one; O-?-D-Glucopyranoside C21H32O7 396.214803 NA MeJP NA NA +MJ054082 2,6,11-Farnesatriene-1,5,10,14-tetrol, 1,5,14-Tri-Ac C21H32O7 396.214803 NA MeJP NA NA +MJ054083 2,6,9-Farnesatriene-1,5,11,14-tetrol, 1,5,14-Tri-Ac C21H32O7 396.214803 NA MeJP NA NA +MJ054084 3,6,8,10-Tetrahydroxy-7(11)-eremophilen-12,8-olide, 6-Me ether, 3-(2-methylbutanoyl) C21H32O7 396.214803 NA MeJP NA NA +MJ054085 3,8,11,12,14,15-Hexahydroxypregn-5-en-20-one C21H32O7 396.214803 NA MeJP NA NA +MJ054086 3,8,11,12,14,17-Hexahydroxypregn-5-en-20-one C21H32O7 396.214803 NA MeJP NA NA +MJ054087 3-Hydroxy-1(10),11-spirovetivadien-2-one; 3-O-?-D-Glucopyranoside C21H32O7 396.214803 NA MeJP NA NA +MJ054088 3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, 3-O-?-D-Glucopyranoside C21H32O7 396.214803 NA MeJP NA NA +MJ054089 ACRL Toxins; ACRL toxin IV C21H32O7 396.214803 NA MeJP NA NA +MJ054090 Alternaric acid; 10-Deoxy, 6,19-dihydro C21H32O7 396.214803 NA MeJP NA NA +MJ054091 Cryptoporic acid I; 3-Deoxy C21H32O7 396.214803 NA MeJP NA NA +MJ054092 Javanicin Q C21H32O7 396.214803 NA MeJP NA NA +MJ054093 Rustmicin; 21-Hydroxy C21H32O7 396.214803 NA MeJP NA NA +MJ054094 Solanascone; 10-Hydroxy, 10-O-?-D-glucopyranoside C21H32O7 396.214803 NA MeJP NA NA +MJ054095 Solanascone; 9-Hydroxy, 9-O-?-D-glucopyranoside C21H32O7 396.214803 NA MeJP NA NA +MJ054096 Etonitazene C22H28N4O3 396.21614 NA MeJP NA NA +MJ054097 Aceperone C24H29FN2O2 396.221306 NA MeJP NA NA +3410 ACE inhibitor ALPP 396.225 ACE inhibitor Inhouse_peptide NA peptide +7668 ACE inhibitor from k-CN (95-98) AIPP 396.225 antioxidative Inhouse_peptide NA peptide +C15989 (9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate C18H37O7P 396.2277 NA KEGG NA NA +MJ054098 11,19-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 19-(3-Methyl-2-butenoyl) C25H32O4 396.230059 NA MeJP NA NA +MJ054099 17-Hydroxyestr-4-en-3-one; 17?-form, (2-Furanyl)propanoyl C25H32O4 396.230059 NA MeJP NA NA +MJ054100 2,8-Dihydroxy-5-methyl-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-4H-1-benzopyran-4-one C25H32O4 396.230059 NA MeJP NA NA +MJ054101 3,10-Epoxy-10,14-dihydronassauvirevolutin A C25H32O4 396.230059 NA MeJP NA NA +MJ054102 3-(4,8-Dimethyl-3,7-nonadienyl)-2,3-dihydro-7-hydroxy-2,3-dimethyl-4H-furo[3,2-c]benzopyran-4-one, Me ether C25H32O4 396.230059 NA MeJP NA NA +MJ054103 7,10-Epoxy-7,14-dihydronassauvirevolutin A C25H32O4 396.230059 NA MeJP NA NA +MJ054104 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(3,7,11-Trimethyl-2,6,10-dodecatrienyl) C25H32O4 396.230059 NA MeJP NA NA +MJ054105 8-Farnesylscopoletin C25H32O4 396.230059 NA MeJP NA NA +MJ054106 Amphidinolide V C25H32O4 396.230059 NA MeJP NA NA +MJ054107 Hippospongin C25H32O4 396.230059 NA MeJP NA NA +MJ054108 Ircinianin C25H32O4 396.230059 NA MeJP NA NA +MJ054109 Ircinic acid C25H32O4 396.230059 NA MeJP NA NA +MJ054110 Kazinol F C25H32O4 396.230059 NA MeJP NA NA +MJ054111 Luffarin T C25H32O4 396.230059 NA MeJP NA NA +MJ054112 Melengestrol; Ac C25H32O4 396.230059 NA MeJP NA NA +MJ054113 Nassauvirevolutin A C25H32O4 396.230059 NA MeJP NA NA +MJ054114 Nassauvirevolutin C C25H32O4 396.230059 NA MeJP NA NA +MJ054115 Naxaprostene C25H32O4 396.230059 NA MeJP NA NA +MJ054116 Okinonellin A C25H32O4 396.230059 NA MeJP NA NA +MJ054117 Wistarin C25H32O4 396.230059 NA MeJP NA NA +C14642 Melengestrol acetate C25H32O4 396.2301 NA KEGG NA NA +7994 synthetic peptide LHK 396.236 hypotensive Inhouse_peptide NA peptide +PJ000873 APPL C19H32N4O5 396.2373 NA PeJP NA NA +MJ054118 Antibiotic TAN 1251B C24H32N2O3 396.241292 NA MeJP NA NA +MJ054119 Enadoline C24H32N2O3 396.241292 NA MeJP NA NA +PJ000874 LKH C18H32N6O4 396.2485 NA PeJP NA NA +MJ054120 1,15,19-Trihydroxy-2,6,13-phytatrien-12-one, 15-Hydroperoxide, 19-Ac C22H36O6 396.251188 NA MeJP NA NA +MJ054121 1,6,10-Farnesatriene-3,12,14-triol, 14-O-(3-Hydroxy-3-methylbutanoyl), 12-Ac C22H36O6 396.251188 NA MeJP NA NA +MJ054122 10-Hydroxy-18-O-methylbetaenone C C22H36O6 396.251188 NA MeJP NA NA +MJ054123 13,14,15-Trihydroxy-1(10)-halimen-18-oic acid, 14-Ac C22H36O6 396.251188 NA MeJP NA NA +MJ054124 17,18,19-Trihydroxy-2,14-phytadien-20,1-olide, 18-Ac C22H36O6 396.251188 NA MeJP NA NA +MJ054125 2,3,19-Trihydroxy-7-labden-15-oic acid, 19-Ac C22H36O6 396.251188 NA MeJP NA NA +MJ054126 8-Daucene-4,6,10-triol, 8?,9?-Epoxide, 6-(3-methylbutanoyl), 10-Ac C22H36O6 396.251188 NA MeJP NA NA +MJ054127 9,11,15-Trihydroxyprosta-5,13-dienoic acid, 11-Ac C22H36O6 396.251188 NA MeJP NA NA +MJ054128 Tomexanthol; 1-Ac, 6?,7? C22H36O6 396.251188 NA MeJP NA NA +C14640 Estradiol 17beta-cyclopentylpropionate C26H36O3 396.2664 NA KEGG NA NA +MJ054129 Avarone adduct A; 3',4'-Dihydro C26H36O3 396.266445 NA MeJP NA NA +MJ054130 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-(3-Cyclopentylpropanoyl) C26H36O3 396.266445 NA MeJP NA NA +MJ054131 Strongylophorine 5; 19-Aldehyde C26H36O3 396.266445 NA MeJP NA NA +MJ054132 Thiothece 425 C26H36O3 396.266445 NA MeJP NA NA +MJ054133 14-Methylene-2,10-phytadiene-1,12,19,20-tetrol, 19-Ac C23H40O5 396.287574 NA MeJP NA NA +MJ054134 Denticulatin A C23H40O5 396.287574 NA MeJP NA NA +MJ054135 Pimilprost C23H40O5 396.287574 NA MeJP NA NA +MJ054136 Radiclonic acid C23H40O5 396.287574 NA MeJP NA NA +MJ054137 Metalkonium(1+); Chloride C23H41ClN2O 396.290741 NA MeJP NA NA +MJ054138 Bengamide K C22H40N2O4 396.298807 NA MeJP NA NA +C14156 delta-Tocotrienol C27H40O2 396.3028 NA KEGG NA NA +MJ054139 18,22-Epoxycholesta-1,20(22)-dien-3-one C27H40O2 396.30283 NA MeJP NA NA +MJ054140 25,26,27-Trinor-3-oxocycloart-22-en-24-al; 22E-form C27H40O2 396.30283 NA MeJP NA NA +MJ054141 4,19-Epoxy-21-norergosta-7,17(20),24(28)-trien-3-ol C27H40O2 396.30283 NA MeJP NA NA +MJ054142 5-Methyl-2-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,4-benzoquinone; Hydroquinone C27H40O2 396.30283 NA MeJP NA NA +MJ054143 6-Methyl-2-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,4-benzenediol C27H40O2 396.30283 NA MeJP NA NA +MJ054144 Astrogorgiadiol; 22,23-Didehydro(22E-), 9-ketone C27H40O2 396.30283 NA MeJP NA NA +MJ054145 Phyllofenone B C27H40O2 396.30283 NA MeJP NA NA +MJ054146 Spirosta-3,5-diene C27H40O2 396.30283 NA MeJP NA NA +MJ054147 ?-Tocotrienol C27H40O2 396.30283 NA MeJP NA NA +MJ054148 3(20)-Phytene-1,2-diol, Di-Ac C24H44O4 396.323959 NA MeJP NA NA +EUR104 Ergocalciferol C28H44O 396.3392 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR105 ergosterol C28H44O 396.3392 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR104 Ergocalciferol C28H44O 396.3392 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR105 ergosterol C28H44O 396.3392 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR104 Ergocalciferol C28H44O 396.3392 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR105 ergosterol C28H44O 396.3392 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB06848 5-Dehydroepisterol C28H44O 396.3392 http://www.hmdb.ca/metabolites/HMDB06848 HMDB NA NA +EUR104 Ergocalciferol C28H44O 396.3392 Wishlist Inhousejuil11 NA NA +EUR105 ergosterol C28H44O 396.3392 Wishlist Inhousejuil11 NA NA +C01694 Ergosterol C28H44O 396.3392 NA KEGG NA NA +C01695 Ferredoxin C28H44O 396.3392 NA KEGG NA NA +C05441 Vitamin D2 C28H44O 396.3392 NA KEGG NA NA +C08823 Lichesterol C28H44O 396.3392 NA KEGG NA NA +C08824 Gum ghatti C28H44O 396.3392 NA KEGG NA NA +C15778 5,7,24(28)-Ergostatrienol C28H44O 396.3392 NA KEGG NA NA +C15780 5-Dehydroepisterol C28H44O 396.3392 NA KEGG NA NA +C15816 3-Keto-4-methylzymosterol C28H44O 396.3392 NA KEGG NA NA +HMDB06848 5-Dehydroepisterol C28H44O 396.3392 HMDB06848 PFEM_hmdb_metabocards_official NA NA +HMDB00878 Ergosterol C28H44O 396.339203 NA HMDB2010 NA NA +HMDB00900 Ergocalciferol C28H44O 396.339203 NA HMDB2010 NA NA +HMDB00981 4a-Methyl-5a-cholesta-8,24-dien-3-one C28H44O 396.339203 NA HMDB2010 NA NA +HMDB06838 3-Keto-4-methylzymosterol C28H44O 396.339203 NA HMDB2010 NA NA +HMDB06848 5-Dehydroepisterol C28H44O 396.339203 NA HMDB2010 NA NA +EUR104 Ergocalciferol C28H44O 396.339215 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR105 Ergosterol C28H44O 396.339215 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR104 Ergocalciferol C28H44O 396.339215 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR105 Ergosterol C28H44O 396.339215 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR104 Ergocalciferol C28H44O 396.339215 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR105 Ergosterol C28H44O 396.339215 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR104 Ergocalciferol C28H44O 396.339215 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR105 Ergosterol C28H44O 396.339215 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR104 Ergocalciferol C28H44O 396.339215 Wishlist HMDB NA NA +EUR105 Ergosterol C28H44O 396.339215 Wishlist HMDB NA NA +EUR104 Ergocalciferol C28H44O 396.339215 Wishlist Inhouse_PFEM NA NA +EUR105 Ergosterol C28H44O 396.339215 Wishlist Inhouse_PFEM NA NA +EUR104 Ergocalciferol C28H44O 396.339215 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR105 Ergosterol C28H44O 396.339215 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR104 Ergocalciferol C28H44O 396.339215 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR105 Ergosterol C28H44O 396.339215 Wishlist PFEM_hmdb_metabocards_official NA NA +MJ054149 Ergosterol C28H44O 396.339216 NA MeJP NA NA +MJ054150 Vitamin D2 C28H44O 396.339216 NA MeJP NA NA +MJ054151 24-Methylcholesta-5,22-dien-3-ol, 3-Ketone C28H44O 396.339216 NA MeJP NA NA +MJ054152 27-Norstigmasta-5,22,25-trien-3-ol C28H44O 396.339216 NA MeJP NA NA +MJ054153 9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol C28H44O 396.339216 NA MeJP NA NA +MJ054154 9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol C28H44O 396.339216 NA MeJP NA NA +MJ054155 Ergosta-4,22-dien-3-one C28H44O 396.339216 NA MeJP NA NA +MJ054156 Ergosta-5,20,24(28)-trien-3-ol C28H44O 396.339216 NA MeJP NA NA +MJ054157 Ergosta-5,20,25-trien-3-ol C28H44O 396.339216 NA MeJP NA NA +MJ054158 Ergosta-5,22,25-trien-3-ol C28H44O 396.339216 NA MeJP NA NA +MJ054159 Ergosta-5,7,22-trien-3-ol C28H44O 396.339216 NA MeJP NA NA +MJ054160 Ergosta-5,7,25-trien-3-ol C28H44O 396.339216 NA MeJP NA NA +MJ054161 Ergosta-5,8,17(20)-trien-3-ol C28H44O 396.339216 NA MeJP NA NA +MJ054162 Ergosta-5,8,22-trien-3-ol C28H44O 396.339216 NA MeJP NA NA +MJ054163 Ergosta-7,14,22-trien-3-ol C28H44O 396.339216 NA MeJP NA NA +MJ054164 Ergosta-7,22,24(28)-trien-3-ol C28H44O 396.339216 NA MeJP NA NA +MJ054165 Ergosta-7,22-dien-3-one C28H44O 396.339216 NA MeJP NA NA +MJ054166 Ergosta-8,14,22-trien-3-ol C28H44O 396.339216 NA MeJP NA NA +MetaCyc03352 vitamin D2 [ergocalciferol;] C28H44O1 396.339216 50-14-6 metacyc NA NA +MetaCyc03353 lumisterol [] C28H44O1 396.339216 57-87-4 metacyc NA NA +MetaCyc03354 ergosterol [provitamin D2;] C28H44O1 396.339216 57-87-4 metacyc NA NA +MetaCyc03355 4α-methyl-5α-cholesta-8,24-dien-3-one [] C28H44O1 396.339216 NA metacyc NA NA +MetaCyc03356 5,7,24(28)-ergostatrienol [] C28H44O1 396.339216 NA metacyc NA NA +MetaCyc03357 5-dehydro episterol [] C28H44O1 396.339216 NA metacyc NA NA +HMDB00900 Ergocalciferol C28H44O 396.33923 http://www.hmdb.ca/metabolites/HMDB00900 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00878 Ergosterol C28H44O 396.33923 http://www.hmdb.ca/metabolites/HMDB00878 HMDB NA NA +HMDB00900 Ergocalciferol C28H44O 396.33923 http://www.hmdb.ca/metabolites/HMDB00900 HMDB NA NA +HMDB00981 4a-Methyl-5a-cholesta-8,24-dien-3-one C28H44O 396.33923 http://www.hmdb.ca/metabolites/HMDB00981 HMDB NA NA +HMDB06838 3-Keto-4-methylzymosterol C28H44O 396.33923 http://www.hmdb.ca/metabolites/HMDB06838 HMDB NA NA +HMDB06923 3-Keto-4-methylzymosterol C28H44O 396.33923 http://www.hmdb.ca/metabolites/HMDB06923 HMDB NA NA +HMDB00900 Ergocalciferol C28H44O 396.33923 http://www.hmdb.ca/metabolites/HMDB00900 PFEM_hmdb_metabocards_blood NA blood +HMDB00878 Ergosterol C28H44O 396.33923 HMDB00878 PFEM_hmdb_metabocards_official NA NA +HMDB00900 Ergocalciferol C28H44O 396.33923 HMDB00900 PFEM_hmdb_metabocards_official NA NA +HMDB00981 4a-Methyl-5a-cholesta-8,24-dien-3-one C28H44O 396.33923 HMDB00981 PFEM_hmdb_metabocards_official NA NA +HMDB06838 3-Keto-4-methylzymosterol C28H44O 396.33923 HMDB06838 PFEM_hmdb_metabocards_official NA NA +HMDB06923 3-Keto-4-methylzymosterol C28H44O 396.33923 HMDB06923 PFEM_hmdb_metabocards_official NA NA +MJ054167 Buxitrienine C; Deoxy C27H44N2 396.350449 NA MeJP NA NA +MJ054168 18-Hydroxy-21-pentacosenoic acid C25H48O3 396.360345 NA MeJP NA NA +MJ054169 24-Nor-12-oleanene C29H48 396.375601 NA MeJP NA NA +MJ054170 24-Nor-12-ursene C29H48 396.375601 NA MeJP NA NA +MJ054171 24-Nor-13(18)-oleanene C29H48 396.375601 NA MeJP NA NA +MJ054172 24-Nor-18-oleanene C29H48 396.375601 NA MeJP NA NA +MJ054173 Stigmasta-3,5-diene C29H48 396.375601 NA MeJP NA NA +HMDB02356 Hexacosanoic acid C26H52O2 396.396729 NA HMDB2010 NA NA +HMDB02356 Hexacosanoic acid C26H52O2 396.39673 http://www.hmdb.ca/metabolites/HMDB02356 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02356 Hexacosanoic acid C26H52O2 396.39673 http://www.hmdb.ca/metabolites/HMDB02356 HMDB NA NA +MJ054174 11-Hydroxy-3-hexacosanone C26H52O2 396.39673 NA MeJP NA NA +MJ054175 26-Hydroxy-2-hexacosanone C26H52O2 396.39673 NA MeJP NA NA +MJ054176 5-Hydroxy-9-hexacosanone C26H52O2 396.39673 NA MeJP NA NA +MJ054177 6,8-Hexacosanedione; 6-Alcohol C26H52O2 396.39673 NA MeJP NA NA +MJ054178 Hexacosanoic acid C26H52O2 396.39673 NA MeJP NA NA +HMDB02356 Hexacosanoic acid C26H52O2 396.39673 http://www.hmdb.ca/metabolites/HMDB02356 PFEM_hmdb_metabocards_blood NA blood +HMDB02356 Hexacosanoic acid C26H52O2 396.39673 HMDB02356 PFEM_hmdb_metabocards_official NA NA +MJ054179 1-Heptacosanol C27H56O 396.433116 NA MeJP NA NA +MJ054180 1-Methoxy-2,22-dimethyltetracosane C27H56O 396.433116 NA MeJP NA NA +MJ054181 1-Methoxy-22-methylpentacosane C27H56O 396.433116 NA MeJP NA NA +MJ054182 10-Heptacosanol C27H56O 396.433116 NA MeJP NA NA +MJ054183 14-Heptacosanol C27H56O 396.433116 NA MeJP NA NA +MJ054184 25-Methyl-1-hexacosanol C27H56O 396.433116 NA MeJP NA NA +2624 synthetic fr,of human beta-CN (62-68) ACE inhibitor LPQNILP 396.72845 MH2+ Inhouse_peptide NA peptide +MJ054185 2,4,6-Tribromo-3-methylthio-1H-indole C9H6Br3NS 396.777107 NA MeJP NA NA +MJ054186 8-Hydroxy-5,7-diiodoquinoline C9H5I2NO 396.84605 NA MeJP NA NA +C07636 Iodoquinol C9H5I2NO 396.8461 NA KEGG NA NA +C13102 Bismuth subnitrate BiN3H2O9 396.9595 NA KEGG NA NA +MJ054187 Methalthiazide C12H16ClN3O4S3 396.999145 NA MeJP NA NA +MetaCyc03358 molybdopterin [MPT;] C10H16N5O6P1S2 397.027961 NA metacyc NA NA +MJ054188 Cefedrolor C16H16ClN3O5S 397.049919 NA MeJP NA NA +MJ054189 Cefetamet C14H15N5O5S2 397.051459 NA MeJP NA NA +MJ054190 Oxaliplatin C8H14N2O4Pt 397.060131 NA MeJP NA NA +HMDB11610 5-Taurinomethyl-2-thiouridine C12H19N3O8S2 397.061371 NA HMDB2010 NA NA +MJ054191 Dysidine C16H22Cl3NO4 397.061441 NA MeJP NA NA +MJ054192 Deracoxib C17H14F3N3O3S 397.070796 NA MeJP NA NA +MJ054193 4-Dedimethylamino-4-oxo-anhydrotetracycline C20H15NO8 397.079766 NA MeJP NA NA +C06627 4-Dedimethylamino-4-oxo-anhydrotetracycline C20H15NO8 397.0798 NA KEGG NA NA +MJ054194 Mefenidramium(1+); Iodide C18H24INO 397.090257 NA MeJP NA NA +MJ054195 Lobaplatin C9H18N2O3Pt 397.096516 NA MeJP NA NA +MJ054196 Rivoglitazone C20H19N3O4S 397.109626 NA MeJP NA NA +MJ054197 Eudistomidin B C21H24BrN3 397.11536 NA MeJP NA NA +MJ054198 Narlumidine C21H19NO7 397.116151 NA MeJP NA NA +MJ054199 O-Methylprechilenine C21H19NO7 397.116151 NA MeJP NA NA +MJ054200 Ochrobirine, O8-Ac, N-De-Me C21H19NO7 397.116151 NA MeJP NA NA +MJ054201 Glycopyrronium(1+), Bromide C19H28BrNO3 397.125256 NA MeJP NA NA +C16910 Acutumine C19H24ClNO6 397.1292 NA KEGG NA NA +MJ054202 Acutumine C19H24ClNO6 397.129215 NA MeJP NA NA +MJ054203 Karnamicin A2 C17H23N3O6S 397.130756 NA MeJP NA NA +PJ000875 CEF C17H23N3O6S 397.1308 NA PeJP NA NA +PJ000876 SEY C17H23N3O8 397.1485 NA PeJP NA NA +JH208 Quercetin N/A NA 397.1504 17.6 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH208 Quercetin N/A NA 397.1504 17.6 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH208 Quercetin N/A NA 397.1504 17.6 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH208 Quercetin N/A NA 397.1504 17.6 Inhousejuil11 NA NA +C15689 Aureothin C22H23NO6 397.1525 NA KEGG NA NA +MJ054204 Adlumiceine enol lactone C22H23NO6 397.152537 NA MeJP NA NA +MJ054205 Aureothin C22H23NO6 397.152537 NA MeJP NA NA +MJ054206 Corydalic acid, Me ester C22H23NO6 397.152537 NA MeJP NA NA +MJ054207 Corynolamine C22H23NO6 397.152537 NA MeJP NA NA +MJ054208 Crebanine, 7R-Acetoxy C22H23NO6 397.152537 NA MeJP NA NA +MJ054209 Densiflorine C22H23NO6 397.152537 NA MeJP NA NA +MJ054210 Fumarophycine C22H23NO6 397.152537 NA MeJP NA NA +MJ054211 Isoaureothin C22H23NO6 397.152537 NA MeJP NA NA +MJ054212 Isotylocrebrine, 14?-Hydroxy, 3,4-di-O-de-Me, N-oxide C22H23NO6 397.152537 NA MeJP NA NA +MJ054213 N-Methylhydrastine C22H23NO6 397.152537 NA MeJP NA NA +MJ054214 Orientalidine C22H23NO6 397.152537 NA MeJP NA NA +MJ054215 Phoebine, N-De-Me, N-Ac C22H23NO6 397.152537 NA MeJP NA NA +MJ054216 Rhoeagenine; Et ether C22H23NO6 397.152537 NA MeJP NA NA +MJ054217 Saulatine C22H23NO6 397.152537 NA MeJP NA NA +MJ054218 Simulansamide C22H23NO6 397.152537 NA MeJP NA NA +MJ054219 Adlumine, N-Me C22H24NO6(+) 397.152537 NA MeJP NA NA +MJ054220 N-(9-Amino-3,4,6,7-tetrahydro-4-oxo-1-phenylpyrrolo[3,2,1-jk][1,4]benzodiazepin-3-yl)-3-pyridinecarboxamide C23H19N5O2 397.153874 NA MeJP NA NA +C13824 R-L3 C25H20FN3O 397.159 NA KEGG NA NA +MJ054221 Timiperone C22H24FN3OS 397.162411 NA MeJP NA NA +PJ000877 CLY C18H27N3O5S 397.1672 NA PeJP NA NA +MJ054222 6-[[3-Fluoro-5-(tetrahydro-4-methoxy-2H-pyran-4-yl)phenoxy]methyl]-1-methyl-2(1H)-quinolinone C23H24FNO4 397.168936 NA MeJP NA NA +MJ054223 2,4,7-Triamino-5-hydroxyoctanedioic acid, N2-?-D-Glucopyranosyl C14H27N3O10 397.169644 NA MeJP NA NA +PJ000878 NQH C15H23N7O6 397.171 NA PeJP NA NA +MJ054224 Dnacin A1 C20H23N5O4 397.175004 NA MeJP NA NA +MJ054225 Zoloperone C22H24FN3O3 397.180169 NA MeJP NA NA +7990 synthetic peptide LHE 397.184 inhibitor Inhouse_peptide NA peptide +MJ054226 Octaverine C23H27NO5 397.188922 NA MeJP NA NA +MJ054227 Pallimamine C23H27NO5 397.188922 NA MeJP NA NA +MJ054228 Vilmorrianone C23H27NO5 397.188922 NA MeJP NA NA +MJ054229 Datelliptium(1+); Chloride C23H28ClN3O 397.19209 NA MeJP NA NA +MJ054230 Latrunculin C C20H31NO5S 397.192293 NA MeJP NA NA +MJ054231 Sedoxantrone C21H27N5OS 397.193631 NA MeJP NA NA +PJ000879 LEH C17H27N5O6 397.1962 NA PeJP NA NA +C11761 Tridihexethyl bromide C21H36NO 397.198 NA KEGG NA NA +MJ054232 Diperodon C22H27N3O4 397.200156 NA MeJP NA NA +MJ054233 1-(4-Fluorophenyl)-4-[4-(1-oxopropoxy)-4-phenyl-1-piperidinyl]-1-butanone C24H28FNO3 397.205321 NA MeJP NA NA +MJ054234 Flutropium(1+) C24H29FNO3(+) 397.205322 NA MeJP NA NA +MJ054235 Antibiotic LL-AM 31?; N4-Propanoyl C15H31N3O9 397.206029 NA MeJP NA NA +PJ000880 NKH C16H27N7O5 397.2074 NA PeJP NA NA +MJ054236 Echihumiline C20H31NO7 397.210052 NA MeJP NA NA +MJ054237 Echimidine C20H31NO7 397.210052 NA MeJP NA NA +MJ054238 Echiumine; 2'',3''-Epoxide C20H31NO7 397.210052 NA MeJP NA NA +MJ054239 Echiumine; 2''E-Isomer, 1'''-hydroxy C20H31NO7 397.210052 NA MeJP NA NA +MJ054240 Echiumine; 2''E-Isomer, N-oxide C20H31NO7 397.210052 NA MeJP NA NA +MJ054241 Echiupinine; 4'''-Hydroxy C20H31NO7 397.210052 NA MeJP NA NA +MJ054242 Echiupinine; N-Oxide C20H31NO7 397.210052 NA MeJP NA NA +MJ054243 Heliosupine C20H31NO7 397.210052 NA MeJP NA NA +MJ054244 Scorpioidine; Diastereoisomer, N-oxide C20H31NO7 397.210052 NA MeJP NA NA +C10299 Echimidine C20H31NO7 397.2101 NA KEGG NA NA +C10319 Heliosupine C20H31NO7 397.2101 NA KEGG NA NA +2655 synthetic fr, of human beta-CN (164-170) ACE inhibitor IPQEVLP 397.22 MH2+ Inhouse_peptide NA peptide +MJ054245 Antibiotic MT 10 C19H31N3O6 397.221285 NA MeJP NA NA +MJ054246 Aspochalasin C; 17,18-Diketone C24H31NO4 397.225308 NA MeJP NA NA +MJ054247 Dehydronapelline; 12-Ketone, 15-Ac C24H31NO4 397.225308 NA MeJP NA NA +MJ054248 Drotaverine C24H31NO4 397.225308 NA MeJP NA NA +MJ054249 Fenaftic acid C24H31NO4 397.225308 NA MeJP NA NA +PJ000881 GPPK C18H31N5O5 397.2325 NA PeJP NA NA +MJ054250 Antibiotic 583 C19H27N9O 397.233856 NA MeJP NA NA +MJ054251 2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]amino]-N,N-dimethyl-3-pyridinecarboxamide C22H31N5O2 397.247775 NA MeJP NA NA +HMDB12280 Phytosphingosine-1-P C18H40NO6P 397.259338 NA HMDB2010 NA NA +MJ054252 Valilactone C22H39NO5 397.282823 NA MeJP NA NA +HMDB13628 PGF2a ethanolamide C22H39NO5 397.282837 NA HMDB2010 NA NA +HMDB13629 PGD2 ethanolamide C22H39NO5 397.282837 NA HMDB2010 NA NA +MJ054253 Dioctatin; Dioctatin A C21H39N3O4 397.294056 NA MeJP NA NA +MJ054254 Buxaquamarine C26H39NO2 397.298079 NA MeJP NA NA +MJ054255 Sempervirone C26H39NO2 397.298079 NA MeJP NA NA +HMDB06317 trans-Hexadec-2-enoyl carnitine C23H43NO4 397.31921 http://www.hmdb.ca/metabolites/HMDB06317 HMDB NA NA +HMDB06317 trans-Hexadec-2-enoyl carnitine C23H43NO4 397.31921 Long chain acyl carnitines ;SYN:Linoleic acid carnitine; Linoleoyl carnitine; 3-carboxy-N,N,N-trimethyl-2-[[(9Z,12Z)-1-oxo-9,12-octadecadienyl]oxy]-1-Propanaminium; 3-carboxy-N,N,N-trimethyl-2-[(1-oxo-9,12-octadecadienyl)oxy]-1-Propanaminium; alpha-Linoleoylcarnitine; Decadienylcarnitine; 9,12-octadecadienylcarnitine; 9,12-octadecadienoylcarnitine; Octadecadienyl-L-carnitineH2Blood; Urine Inhouse_peptide NA peptide +HMDB06317 trans-Hexadec-2-enoyl carnitine C23H43NO4 397.31921 HMDB06317 PFEM_hmdb_metabocards_official NA NA +HMDB06317 trans-Hexadec-2-enoyl carnitine C23H43NO4 397.319214 NA HMDB2010 NA NA +HMDB13207 9-Hexadecenoylcarnitine C23H43NO4 397.319214 NA HMDB2010 NA NA +MJ054256 Hosukinidine C27H43NO 397.334465 NA MeJP NA NA +MJ054257 Procevine C27H43NO 397.334465 NA MeJP NA NA +MJ054258 Shinonomenine C27H43NO 397.334465 NA MeJP NA NA +MJ054259 Solanidine C27H43NO 397.334465 NA MeJP NA NA +MJ054260 Veralinine C27H43NO 397.334465 NA MeJP NA NA +MJ054261 Verazine C27H43NO 397.334465 NA MeJP NA NA +HMDB03236 Solanidine C27H43NO 397.33447 http://www.hmdb.ca/metabolites/HMDB03236 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03236 Solanidine C27H43NO 397.33447 http://www.hmdb.ca/metabolites/HMDB03236 HMDB NA NA +HMDB03236 Solanidine C27H43NO 397.33447 http://www.hmdb.ca/metabolites/HMDB03236 PFEM_hmdb_metabocards_blood NA blood +HMDB03236 Solanidine C27H43NO 397.33447 HMDB03236 PFEM_hmdb_metabocards_official NA NA +HMDB03236 Solanidine C27H43NO 397.334473 NA HMDB2010 NA NA +C06543 Solanidine C27H43NO 397.3345 NA KEGG NA NA +MJ054262 Inandenin-10-one; 10-Alcohol C23H47N3O2 397.366827 NA MeJP NA NA +MJ054263 Inandenin-11-one; 11-Alcohol C23H47N3O2 397.366827 NA MeJP NA NA +MJ054264 Inandenin-12-one; 12-Alcohol C23H47N3O2 397.366827 NA MeJP NA NA +MJ054265 Inandenin-13-one; 13-Alcohol C23H47N3O2 397.366827 NA MeJP NA NA +7630 ACE inhibitor from kappa-CN (fr, 25-30) YIPIQY 397.702 MH2+ Inhouse_peptide NA peptide +MJ054266 1,7-Dibromo-2,6,8-trichloro-3,7-dimethyl-3-octene C10H15Br2Cl3 397.860608 NA MeJP NA NA +MJ054267 5,8-Dibromo-3,6,7-trichloro-2,6-dimethyl-1-octene C10H15Br2Cl3 397.860608 NA MeJP NA NA +MJ054268 6-Bromo-3-bromomethyl-2,3,7-trichloro-7-methyl-1-octene C10H15Br2Cl3 397.860608 NA MeJP NA NA +MJ054269 7-Bromo-3-(bromomethyl)-2,3,6-trichloro-7-methyl-1-octene C10H15Br2Cl3 397.860608 NA MeJP NA NA +MJ054270 Bismuth potassium tartrate C4H6BiKO6 397.960528 NA MeJP NA NA +FL5FFCNSS001 Gossypetin 3-O-sulfate C15H10O11S 397.99438 - knapsack NA NA +MJ054271 Erdin, Me ester C17H12Cl2O7 397.996008 NA MeJP NA NA +MJ054272 Lecideoidin C17H12Cl2O7 397.996008 NA MeJP NA NA +MJ054273 Norgangaleoidin C17H12Cl2O7 397.996008 NA MeJP NA NA +MJ054274 Melarsoprol C12H15AsN6OS2 397.996471 NA MeJP NA NA +C08001 Melarsoprol C12H15AsN6OS2 397.9965 NA KEGG NA NA +MJ054275 Imidazenil C18H12BrFN4O 398.017851 NA MeJP NA NA +JH095 Caffeic acid [2M+K]+ NA 398.04041 12.21 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH095 Caffeic acid [2M+K]+ NA 398.04041 12.21 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH095 Caffeic acid [2M+K]+ NA 398.04041 12.21 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH095 Caffeic acid [2M+K]+ NA 398.04041 12.21 Inhousejuil11 NA NA +MJ054276 Clefamide C17H16Cl2N2O5 398.043627 NA MeJP NA NA +MJ054277 Paeciloquinone F C20H14O9 398.063782 NA MeJP NA NA +MJ054278 Sulfasalazine C18H14N4O5S 398.06849 NA MeJP NA NA +C07316 Sulfasalazine C18H14N4O5S 398.0685 NA KEGG NA NA +MJ054279 Hamigeran E C18H23BrO5 398.072886 NA MeJP NA NA +PJ000882 ACCC C12H22N4O5S3 398.0753 NA PeJP NA NA +PJ000883 SSCC C12H22N4O7S2 398.093 NA PeJP NA NA +MJ054280 Asystasioside E C15H23ClO10 398.097974 NA MeJP NA NA +MJ054281 Glutinoside C15H23ClO10 398.097974 NA MeJP NA NA +MJ054282 Harpagide; 7?-Chloro C15H23ClO10 398.097974 NA MeJP NA NA +MJ054283 Mentzefoliol C15H23ClO10 398.097974 NA MeJP NA NA +FL4DECNF0001 3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2'',3'':7,8]flavanone C21H18O8 398.10016 77970-10-6 knapsack NA NA +MJ054284 2,3-Dihydro-3,5,6-trimethoxy-2-(3,4-methylenedioxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one C21H18O8 398.100167 NA MeJP NA NA +MJ054285 3',4',5'-Trimethoxy-4,5-methylenedioxy-7-oxo-2,7'-cyclolignan-9',9-olide, 4'-O-De-Me C21H18O8 398.100167 NA MeJP NA NA +MJ054286 3,3',4',5,7-Pentahydroxy-4-(2,4,6-trihydroxyphenyl)flavan, 3'-Deoxy C21H18O8 398.100167 NA MeJP NA NA +MJ054287 Antibiotic DC 44B C21H18O8 398.100167 NA MeJP NA NA +MJ054288 Averufin; 7-Methoxy C21H18O8 398.100167 NA MeJP NA NA +MJ054289 Junaphthoic acid C21H18O8 398.100167 NA MeJP NA NA +MJ054290 Lisetinone C21H18O8 398.100167 NA MeJP NA NA +MJ054291 Mitorubrin, 3'-Hydroxy C21H18O8 398.100167 NA MeJP NA NA +MJ054292 Oruwacin C21H18O8 398.100167 NA MeJP NA NA +MJ054293 Piscerisoflavone A; 7',8'-Didehydro C21H18O8 398.100167 NA MeJP NA NA +MJ054294 Preussomerin A; 3'?-Methoxy, 2',3'-dihydro C21H18O8 398.100167 NA MeJP NA NA +C12418 Dihydro-NAME C21H18O8 398.1002 NA KEGG NA NA +C12419 Auramycinone C21H18O8 398.1002 NA KEGG NA NA +MJ054295 Lavendamycin C22H14N4O4 398.101504 NA MeJP NA NA +MJ054296 Zearalenone, 4-Sulfate C18H22O8S 398.103538 NA MeJP NA NA +MJ054297 Diflomotecan C21H16F2N2O4 398.107813 NA MeJP NA NA +MJ054298 10-Bromo-3-chamigrene-1,9-diol; Di-Ac C19H27BrO4 398.109271 NA MeJP NA NA +C06654 4-Dedimethyl-6-dehydro-anhydrotetracycline C20H18N2O7 398.1114 NA KEGG NA NA +MJ054299 4-Dedimethyl-6-dehydro-anhydrotetracycline C20H18N2O7 398.1114 NA MeJP NA NA +MJ054300 10-Hydroxycanthin-6-one; O-?-D-Glucopyranoside C20H18N2O7 398.1114 NA MeJP NA NA +MJ054301 11-Hydroxycanthin-6-one; O-?-D-Glucopyranoside C20H18N2O7 398.1114 NA MeJP NA NA +MJ054302 9-Hydroxycanthin-6-one; O-?-D-Glucopyranoside C20H18N2O7 398.1114 NA MeJP NA NA +C09288 Acroptilin C19H23ClO7 398.1132 NA KEGG NA NA +MJ054303 15-Chloro-2,3,4,8-tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl) C19H23ClO7 398.11323 NA MeJP NA NA +MJ054304 15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2,3-Epoxy-2-methylpropanoyl)(R-) C19H23ClO7 398.11323 NA MeJP NA NA +MJ054305 15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2,3-Epoxy-2-methylpropanoyl)(S-) C19H23ClO7 398.11323 NA MeJP NA NA +MJ054306 15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2-Hydroxymethylpropenoyl) C19H23ClO7 398.11323 NA MeJP NA NA +MJ054307 4,15-Epoxy-3,8-dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(3-Chloro-2-hydroxy-2-methylpropanoyl) C19H23ClO7 398.11323 NA MeJP NA NA +MJ054308 4,15-Epoxy-3,9-dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 9-(3-Chloro-2-hydroxy-2-methylpropanoyl) C19H23ClO7 398.11323 NA MeJP NA NA +C04425 S-Adenosyl-4-methylthio-2-oxobutanoate C15H20N5O6S 398.1134 NA KEGG NA NA +MetaCyc03359 S-adenosyl-4-methylthio-2-oxobutanoate [] C15H20N5O6S1 398.113429 NA metacyc NA NA +MJ054309 Blespirol C25H18O5 398.115423 NA MeJP NA NA +MJ054310 Interruptin B C25H18O5 398.115423 NA MeJP NA NA +MJ054311 3-O-Caffeoylquinic acid, 5'-Methoxy, 3'-Me ether C18H22O10 398.121296 NA MeJP NA NA +MJ054312 4,6-Dihydroxy-5-benzofuranpropanoic acid; 4-Me ether, 6-O-?-D-glucopyranoside C18H22O10 398.121296 NA MeJP NA NA +MJ054313 5,7-Dihydroxy-6-benzofuranpropanoic acid; 7-Me ether, 5-O-?-D-glucopyranoside C18H22O10 398.121296 NA MeJP NA NA +MJ054314 6-Hydroxy-5-benzofuranpropanoic acid; 7-Methoxy, O-?-D-glucopyranoside C18H22O10 398.121296 NA MeJP NA NA +MJ054315 Taraxacoside C18H22O10 398.121296 NA MeJP NA NA +PJ000884 CNY C16H22N4O6S 398.126 NA PeJP NA NA +EUR373 Riboflavin F2 F2 398.126375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR373 Riboflavine F2 NA 398.126375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR373 Riboflavin F2 F2 398.126375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR373 Riboflavine F2 NA 398.126375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR373 Riboflavin F2 F2 398.126375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR373 Riboflavine F2 NA 398.126375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR373 Riboflavin F2 F2 398.126375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR373 Riboflavin F2 F2 398.126375 standards wishlist analysés sur QTOF HMDB NA NA +EUR373 Riboflavin F2 F2 398.126375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR373 Riboflavine F2 NA 398.126375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR373 Riboflavin F2 F2 398.126375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR373 Riboflavin F2 F2 398.126375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ054316 5,12-Dihydrocycloocta[1,2-b:5,6-b']diindole-6,13-dicarboxylic acid; Di-Me ester C24H18N2O4 398.126657 NA MeJP NA NA +MJ054317 Asterriquinone D C24H18N2O4 398.126657 NA MeJP NA NA +C17097 Caulerpin C24H18N2O4 398.1267 NA KEGG NA NA +FL1CG9NI0001 3'-Angeloyloxy-4',6'-dihydroxy-2',5'-dimethoxychalcone C22H22O7 398.13655 129724-40-9 knapsack NA NA +FL3FA9CS0003 Hoslunddiol C22H22O7 398.13655 135404-53-4 knapsack NA NA +FL3FAINI0001 Baohuosu C22H22O7 398.13655 119730-90-4 knapsack NA NA +FL3FALNI0021 Artoindonesianin Q;2-(2,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C22H22O7 398.13655 502718-00-5 knapsack NA NA +FL3FALNI0022 Artoindonesianin R;5,7-Dihydroxy-2-(5-hydroxy-2,4-dimethoxyphenyl)-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C22H22O7 398.13655 502718-02-7 knapsack NA NA +FL5FCENI0001 Rhynchospermin C22H22O7 398.13655 80370-37-2 knapsack NA NA +FL5FCENI0002 Isorhynchospermin C22H22O7 398.13655 101770-13-2 knapsack NA NA +FL5FDCNI0001 5,3',4'-Trihydroxy-3,7-dimethoxy-6-prenylflavone;6-Prenylquercetin 3-methyl ether;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C22H22O7 398.13655 151649-35-3 knapsack NA NA +FL5FDDNI0003 5,4'-Dihydroxy-3,3'-dimethoxy-7-prenyloxyflavone C22H22O7 398.13655 53766-24-8 knapsack NA NA +FL5FDDNI0006 5,7-Dihydroxy-3-methoxy-2-[3-methoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-4H-1-benzopyran-4-one C22H22O7 398.13655 200011-31-0 knapsack NA NA +FL5FDENI0001 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one C22H22O7 398.13655 443729-38-2 knapsack NA NA +FL5FEANI0002 5,7-Dihydroxy-3,6-dimethoxy-4'-prenyloxyflavone C22H22O7 398.13655 160036-23-7 knapsack NA NA +FL5FF9NI0004 Gnaphaliin 7-epoxymethylbutyl ether C22H22O7 398.13655 94390-13-3 knapsack NA NA +FL5FFANI0002 5,7-Dihydroxy-3,8-dimethoxy-4'-prenyloxyflavone C22H22O7 398.13655 160036-30-6 knapsack NA NA +FL5FFANI0004 5,7,4'-Trihydroxy-3,8-dimethoxy-6-prenylflavone;6-Prenylherbacetin 3,8-dimethyl ether;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,8-dimethoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C22H22O7 398.13655 156298-97-4 knapsack NA NA +FLIAALNI0007 Viridiflorin;5,7,4'-Trihydroxy-2',5'-dimethoxy-6-prenylisoflavone C22H22O7 398.13655 97730-85-3 knapsack NA NA +FLIAALNI0010 2'-Hydroxypiscerythrinetin;5,7,2'-Trihydroxy-4',5'-dimethoxy-3'-prenylisoflavone C22H22O7 398.13655 126484-17-1 knapsack NA NA +MJ054318 1-Ethyl-3,8-dihydroxyanthraquinone; 3-O-(2,6-Dideoxy-?-D-arabino-hexopyranoside) C22H22O7 398.136553 NA MeJP NA NA +MJ054319 12,20:15,16-Diepoxy-20-hydroxy-7-oxo-1,3,13(16),14-clerodatetraen-18,19-olide, 20-Ac C22H22O7 398.136553 NA MeJP NA NA +MJ054320 2',3',4',5',6'-Pentahydroxychalcone; 2,5-Di-Me ether, 3-angeloyl C22H22O7 398.136553 NA MeJP NA NA +MJ054321 2',4',5,5',7-Pentahydroxy-3'-prenylisoflavone; 4',5'-Di-Me ether C22H22O7 398.136553 NA MeJP NA NA +MJ054322 2',4',5,5',7-Pentahydroxy-6-prenylisoflavone; 2',5'-Di-Me ether C22H22O7 398.136553 NA MeJP NA NA +MJ054323 3',4',5,5',7-Pentahydroxy-8-prenylflavone; 3',5'-Di-Me ether C22H22O7 398.136553 NA MeJP NA NA +MJ054324 3',4',5,7-Tetrahydroxy-5'-prenylisoflavone; ?1'',2''-Isomer, 3''-hydroxy, 3',4'-di-Me ether C22H22O7 398.136553 NA MeJP NA NA +MJ054325 3,3',4',5,7-Pentahydroxy-6-prenylflavone; 3,7-Di-Me ether C22H22O7 398.136553 NA MeJP NA NA +MJ054326 3,3',4',5,7-Pentahydroxy-6-prenylflavone; 4',7-Di-Me ether C22H22O7 398.136553 NA MeJP NA NA +MJ054327 3,3',4',5,7-Pentahydroxy-8-prenylflavone; 4',7-Di-Me ether C22H22O7 398.136553 NA MeJP NA NA +MJ054328 3,3',4,4',5-Pentahydroxylign-7-en-9,9'-olide, 3',4'-Methylene, 3,4,5-tri-Me ether C22H22O7 398.136553 NA MeJP NA NA +MJ054329 3,4',5,6,7-Pentahydroxyflavone; 3,6-Di-Me ether, 4'-O-(3-methyl-2-butenyl) C22H22O7 398.136553 NA MeJP NA NA +MJ054330 3,4',5,7,8-Pentahydroxy-6-prenylflavone; 3,8-Di-Me ether C22H22O7 398.136553 NA MeJP NA NA +MJ054331 3,5,7,8-Tetrahydroxyflavone; 3,8-Di-Me ether, 7-O-(2,3-epoxy-3-methylbutyl) C22H22O7 398.136553 NA MeJP NA NA +MJ054332 4',5,7-Trihydroxy-3,3'-dimethoxyflavone; 7-O-(3-Methyl-2-butenyl) C22H22O7 398.136553 NA MeJP NA NA +MJ054333 4',5,7-Trihydroxy-3,8-dimethoxyflavone; 4'-O-(3-Methyl-2-butenyl) C22H22O7 398.136553 NA MeJP NA NA +MJ054334 5'-Demethoxy-?-peltatin A; Me ether C22H22O7 398.136553 NA MeJP NA NA +MJ054335 8,9-Dihydro-3,5,7-trihydroxy-1,8,8,9-tetramethyl-5-(2-oxopropyl)-4H-phenaleno[1,2-b]furan-4,6(5H)-dione C22H22O7 398.136553 NA MeJP NA NA +MJ054336 Averufanin, 6,8-Di-Me ether C22H22O7 398.136553 NA MeJP NA NA +MJ054337 Curcumin; 5'-Methoxy C22H22O7 398.136553 NA MeJP NA NA +MJ054338 Deoxypodophyllic acid; 2-Epimer, lactone C22H22O7 398.136553 NA MeJP NA NA +MJ054339 Deoxypodophyllic acid; 7',8'-Diepimer, lactone C22H22O7 398.136553 NA MeJP NA NA +MJ054340 Deoxypodophyllic acid; 8,8'-Diepimer, lactone C22H22O7 398.136553 NA MeJP NA NA +MJ054341 Deoxypodophyllic acid; Lactone C22H22O7 398.136553 NA MeJP NA NA +MJ054342 Eupomatilone 6; 3,6-Didehydro C22H22O7 398.136553 NA MeJP NA NA +MJ054343 Formosalactone C22H22O7 398.136553 NA MeJP NA NA +MJ054344 Hexademethylpyrimidatin A; 4,5:4',5'-Bis(methylene), 3,3'-di-Me ether C22H22O7 398.136553 NA MeJP NA NA +MJ054345 Hoslunddiol C22H22O7 398.136553 NA MeJP NA NA +MJ054346 Jacareubin; 12-Methoxy, tri-Me ether C22H22O7 398.136553 NA MeJP NA NA +MJ054347 Mitorubrin, 1',2'-Dihydro, 2''-Me ether C22H22O7 398.136553 NA MeJP NA NA +MJ054348 Salvigenolide C22H22O7 398.136553 NA MeJP NA NA +MJ054349 Schizanlignaol D; Ketone C22H22O7 398.136553 NA MeJP NA NA +MJ054350 Wuweizisu C; 7,7'-Epoxide C22H22O7 398.136553 NA MeJP NA NA +C10556 Deoxypodophyllotoxin C22H22O7 398.1366 NA KEGG NA NA +C00019 S-Adenosyl-L-methionine C15H22N6O5S 398.1372 NA KEGG NA NA +MJ054351 Ademetionine C15H22N6O5S 398.137238 NA MeJP NA NA +MJ054352 4'-[[2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl][1,1'-biphenyl]-2-carboxylic acid C22H23ClN2O3 398.13972 NA MeJP NA NA +MJ054353 Fursultiamine C17H26N4O3S2 398.144632 NA MeJP NA NA +MJ054354 15-Bromo-9(11)-parguerene-2,7,16-triol C20H31BrO3 398.145657 NA MeJP NA NA +MJ054355 Fumschleicherine C21H22N2O6 398.147786 NA MeJP NA NA +MJ054356 Cloperidone C21H23ClN4O2 398.150953 NA MeJP NA NA +MJ054357 4,9-Dihydroxy-1,2,6,7,11,12-hexamethylperylene-3,10-quinone C26H22O4 398.151809 NA MeJP NA NA +MJ054358 Cryptolepicarboline C27H18N4 398.153146 NA MeJP NA NA +PJ000885 NEH C15H22N6O7 398.155 NA PeJP NA NA +MJ054359 1,2:3,4-Diepoxy-8,10-dihydroxy-12,6-guaianolide, 8-(2,3-Dihydroxy-2-methylpropanoyl) C19H26O9 398.157682 NA MeJP NA NA +MJ054360 3,10-Dihydroxy-11-dodecene-6,8-diynoic acid, 10-O-?-D-Glucopyranoside, Me ester C19H26O9 398.157682 NA MeJP NA NA +MJ054361 3,4,7,8,15-Scirpenepentol, 4,15-Di-Ac C19H26O9 398.157682 NA MeJP NA NA +MJ054362 Camostat C20H22N4O5 398.159019 NA MeJP NA NA +MJ054363 Zepastine C22H26N2O3S 398.166413 NA MeJP NA NA +MetaCyc03360 N-benzoyl-D-arginine-4-nitroanilide [] C19H22N6O4 398.170253 NA metacyc NA NA +C04303 N-Benzoyl-D-arginine-4-nitroanilide C19H22N6O4 398.1703 NA KEGG NA NA +C04305 N-Long-chain-fatty-acyl-L-glutamate C6H8NO5R 398.1703 NA KEGG NA NA +PJ000886 GHW C19H22N6O4 398.1703 NA PeJP NA NA +MJ054364 Lolidine C18H27ClN4O4 398.172083 NA MeJP NA NA +FL6DDANP0001 3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan C23H26O6 398.17293 462109-98-4 knapsack NA NA +FLIDHXNI0007 Sphenostylin A;(6aS,11aS)-6a-Hydroxy-3,8,9-trimethoxy-10-prenylpterocarpan C23H26O6 398.17293 115610-53-2 knapsack NA NA +MJ054365 10-Hydroxy-2-oxo-8-daucen-12,5-olide, 10-(4-Methoxybenzoyl) C23H26O6 398.172938 NA MeJP NA NA +MJ054366 3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 3,6-Bis(methylpropenoyl) C23H26O6 398.172938 NA MeJP NA NA +MJ054367 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(3,4-Dimethyl-3-pentenoyl) C23H26O6 398.172938 NA MeJP NA NA +MJ054368 Demethylcacalohastine; 3?-Angeloyloxy, 14-acetoxy, 9-Me ether C23H26O6 398.172938 NA MeJP NA NA +MJ054369 Demethylcacalohastine; 3?-Hydroxy, 14-angeloyloxy, O-propanoyl C23H26O6 398.172938 NA MeJP NA NA +MJ054370 Garvin A C23H26O6 398.172938 NA MeJP NA NA +MJ054371 Kanzonol N; 4'-Me ether C23H26O6 398.172938 NA MeJP NA NA +MJ054372 Leptosphaerodione; 1-Ethoxy C23H26O6 398.172938 NA MeJP NA NA +MJ054373 Norlobaridone C23H26O6 398.172938 NA MeJP NA NA +MJ054374 Rotenonic acid; 12a-Hydroxy C23H26O6 398.172938 NA MeJP NA NA +MJ054375 Sphenostylin B; 3,8-Di-Me ether C23H26O6 398.172938 NA MeJP NA NA +MJ054376 Vismione A C23H26O6 398.172938 NA MeJP NA NA +7553 ACE inhibitor CWLPVY 398.173 MH2+ Inhouse_peptide NA peptide +MJ054377 N-(2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-N'-(3-methylphenyl)urea C24H22N4O2 398.174275 NA MeJP NA NA +C15026 L-365260 C24H22N4O2 398.1743 NA KEGG NA NA +MJ054378 Pinoxepin C23H27ClN2O2 398.176105 NA MeJP NA NA +MJ054379 16-Hydroxy-6,8(14)-isopimaradien-19-oic acid; 16-Sulfate C20H30O6S 398.176309 NA MeJP NA NA +MJ054380 2,4-Pentanediol, 2-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C16H30O11 398.178811 NA MeJP NA NA +PJ000887 GPPE C17H26N4O7 398.1802 NA PeJP NA NA +MJ054381 11,12-Methylenedioxykopsinaline C22H26N2O5 398.184171 NA MeJP NA NA +MJ054382 11-Methoxyneooxydiaboline C22H26N2O5 398.184171 NA MeJP NA NA +MJ054383 5-Carboxycorynanthine C22H26N2O5 398.184171 NA MeJP NA NA +MJ054384 Akuammine; N4-Oxide C22H26N2O5 398.184171 NA MeJP NA NA +MJ054385 Aricine pseudoindoxyl C22H26N2O5 398.184171 NA MeJP NA NA +MJ054386 Caboxine A C22H26N2O5 398.184171 NA MeJP NA NA +MJ054387 Cuanzine C22H26N2O5 398.184171 NA MeJP NA NA +MJ054388 Gardneramine; O18-De-Me C22H26N2O5 398.184171 NA MeJP NA NA +MJ054389 Henningsoline C22H26N2O5 398.184171 NA MeJP NA NA +MJ054390 Isocaboxine A C22H26N2O5 398.184171 NA MeJP NA NA +MJ054391 Javaphylline C22H26N2O5 398.184171 NA MeJP NA NA +MJ054392 Lanceomigine; N4-Oxide C22H26N2O5 398.184171 NA MeJP NA NA +MJ054393 Picrinine; 10,11-Dimethoxy C22H26N2O5 398.184171 NA MeJP NA NA +MJ054394 Rotundifoline; 18,19-Didehydro C22H26N2O5 398.184171 NA MeJP NA NA +MJ054395 Rumberine; Me ether C22H26N2O5 398.184171 NA MeJP NA NA +MJ054396 Tabernulosine C22H26N2O5 398.184171 NA MeJP NA NA +MJ054397 Tetraphylline oxindole A C22H26N2O5 398.184171 NA MeJP NA NA +MJ054398 Tetraphylline pseudoindoxyl C22H26N2O5 398.184171 NA MeJP NA NA +MJ054399 Vandrikine; 20-Hydroxy C22H26N2O5 398.184171 NA MeJP NA NA +MJ054400 Vincaminine; 11-Methoxy C22H26N2O5 398.184171 NA MeJP NA NA +MJ054401 Vincarodine C22H26N2O5 398.184171 NA MeJP NA NA +MJ054402 Vinosidine C22H26N2O5 398.184171 NA MeJP NA NA +MJ054403 Voacristine; 3-Oxo C22H26N2O5 398.184171 NA MeJP NA NA +MJ054404 3-Chloro-18,19-epoxy-4,19-dihydroxy-13-cleroden-15,16-olide, 19-Me ether C21H31ClO5 398.186001 NA MeJP NA NA +MJ054405 Moveltipril C19H30N2O5S 398.187542 NA MeJP NA NA +MJ054406 4a,9b-Dihydro-2-[2-hydroxy-5-(2-propenyl)phenyl]-8,9b-di-2-propenyl-3(4H)-dibenzofuranone C27H26O3 398.188194 NA MeJP NA NA +MJ054407 Dunnianol C27H26O3 398.188194 NA MeJP NA NA +MJ054408 Isodunnianol C27H26O3 398.188194 NA MeJP NA NA +8066 synthetic peptide RHS 398.191 antioxidative Inhouse_peptide NA peptide +PJ000888 DKH C16H26N6O6 398.1914 NA PeJP NA NA +MJ054409 2-(1-Heptenyl)-3-(hydroxymethyl)-1,4-benzenediol; 1-O-?-D-Glucopyranoside C20H30O8 398.194067 NA MeJP NA NA +MJ054410 2-Pinen-6-ol, O-(2,6-Diacetyl-?-D-glucopyranoside) C20H30O8 398.194067 NA MeJP NA NA +MJ054411 3,4,8,15-Scirpenetetrol, 8-(3-Hydroxy-3-methylbutanoyl) C20H30O8 398.194067 NA MeJP NA NA +MJ054412 Cinncassiol E C20H30O8 398.194067 NA MeJP NA NA +MJ054413 Klaineanone; ?4-Isomer, 14?,15?-dihydroxy, 2?-alcohol C20H30O8 398.194067 NA MeJP NA NA +MJ054414 Ptaquiloside C20H30O8 398.194067 NA MeJP NA NA +MJ054415 Pterisol C; 1-O-?-D-Glucopyranoside C20H30O8 398.194067 NA MeJP NA NA +C17659 Cinncassiol E C20H30O8 398.1941 NA KEGG NA NA +MJ054416 9,11-Epidithio-15-hydroxy-5,13-prostadienoic acid, Me ester C21H34O3S2 398.194936 NA MeJP NA NA +PJ000889 PPW C21H26N4O4 398.1954 NA PeJP NA NA +MJ054417 2,7-Diethyl-5-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole C22H22N8 398.196742 NA MeJP NA NA +MJ054418 Bisantrene C22H22N8 398.196742 NA MeJP NA NA +MJ054419 Tombozine; O-Benzoyl C26H26N2O2 398.199428 NA MeJP NA NA +PJ000890 SHR C15H26N8O5 398.2026 NA PeJP NA NA +MJ054420 Linarotene C23H30N2O2S 398.202798 NA MeJP NA NA +MJ054421 N-[3-(3,5-Difluorophenyl)-3-(2-pyridinyl)propyl]-N'-[3-(1H-imidazol-4-yl)propyl]guanidine C21H24F2N6 398.203051 NA MeJP NA NA +MJ054422 Flumedroxone C22H29F3O3 398.206879 NA MeJP NA NA +MJ054423 3(15),6-Caryophylladiene-5,9-diol, 3?,15-Epoxide, 9-benzoyl, 5-Ac C24H30O5 398.209324 NA MeJP NA NA +MJ054424 3,7,12-Trihydroxy-1,9,11(13)-eremophilatrien-8-one, 12-Aldehyde, 3-O-(6S-methyl-2E,4E-octadienoyl) C24H30O5 398.209324 NA MeJP NA NA +MJ054425 4,6-Dihydroxy-7-daucen-9-one, 6-(4-Hydroxycinnamoyl) (E-) C24H30O5 398.209324 NA MeJP NA NA +MJ054426 5-Hydroxy-6-protoilluden-14-al, O-(2-Hydroxy-4-methoxy-6-methylbenzoyl) C24H30O5 398.209324 NA MeJP NA NA +MJ054427 5-Hydroxy-8,8-dimethyl-6-(2-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one C24H30O5 398.209324 NA MeJP NA NA +MJ054428 5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one C24H30O5 398.209324 NA MeJP NA NA +MJ054429 7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide, Me ether C24H30O5 398.209324 NA MeJP NA NA +MJ054430 7-O-(3,14-Dihydroxy-8(12)-drimen-11-yl)umbelliferone C24H30O5 398.209324 NA MeJP NA NA +MJ054431 Beraprost C24H30O5 398.209324 NA MeJP NA NA +MJ054432 Cauferin C24H30O5 398.209324 NA MeJP NA NA +MJ054433 Claucavatin B C24H30O5 398.209324 NA MeJP NA NA +MJ054434 Clausmarin A C24H30O5 398.209324 NA MeJP NA NA +MJ054435 Condidymic acid C24H30O5 398.209324 NA MeJP NA NA +MJ054436 Deflectin 2a C24H30O5 398.209324 NA MeJP NA NA +MJ054437 Ferchromone; ?8'-Isomer, 7'-hydroxy C24H30O5 398.209324 NA MeJP NA NA +MJ054438 Fercoprenol C24H30O5 398.209324 NA MeJP NA NA +MJ054439 Galbanic acid C24H30O5 398.209324 NA MeJP NA NA +MJ054440 Karatavicinol; 10-Ketone C24H30O5 398.209324 NA MeJP NA NA +MJ054441 Kopeolin; 3'-Ketone C24H30O5 398.209324 NA MeJP NA NA +MJ054442 Ligupersin B C24H30O5 398.209324 NA MeJP NA NA +MJ054443 Microlobin C24H30O5 398.209324 NA MeJP NA NA +MJ054444 Mogoltin C24H30O5 398.209324 NA MeJP NA NA +MJ054445 O-(14(4?5)-Abeo-7-hydroxy-3-oxodriman-11-yl)umbelliferone C24H30O5 398.209324 NA MeJP NA NA +MJ054446 O-(3,8-Dihydroxydriman-11-yl)umbelliferone, 3'-Ketone C24H30O5 398.209324 NA MeJP NA NA +MJ054447 Praealtin A; ?3'4'-Isomer, 6'-de-Ac, 6'-(2-methylbutanoyl) C24H30O5 398.209324 NA MeJP NA NA +MJ054448 Praealtin A; ?3'4'Isomer, 6'-de-Ac, 6'-(3-methylbutanoyl) C24H30O5 398.209324 NA MeJP NA NA +MJ054449 Resibufagin C24H30O5 398.209324 NA MeJP NA NA +MJ054450 Scilliglaucosidin C24H30O5 398.209324 NA MeJP NA NA +MJ054451 Shijiaocaolactone C24H30O5 398.209324 NA MeJP NA NA +MJ054452 Taprostene C24H30O5 398.209324 NA MeJP NA NA +MJ054453 Tortuosidin C24H30O5 398.209324 NA MeJP NA NA +MJ054454 Umbelliprenin; 4',9'-Dihydroxy C24H30O5 398.209324 NA MeJP NA NA +MJ054455 Umbelliprenin; 5',8'-Dihydroxy C24H30O5 398.209324 NA MeJP NA NA +MJ054456 Cytosamine C18H30N4O6 398.216534 NA MeJP NA NA +PJ000891 SPPV C18H30N4O6 398.2166 NA PeJP NA NA +MJ054457 13-Hydroxylupanine; O-(4-Hydroxyphenylacetyl) C23H30N2O4 398.220557 NA MeJP NA NA +MJ054458 Aspidolimidine; N-De-Ac, N-propanoyl C23H30N2O4 398.220557 NA MeJP NA NA +MJ054459 Cabuamine C23H30N2O4 398.220557 NA MeJP NA NA +MJ054460 Conopharyngine C23H30N2O4 398.220557 NA MeJP NA NA +MJ054461 Cylindrocarine, N-Ac C23H30N2O4 398.220557 NA MeJP NA NA +MJ054462 Eburine; N-Methoxycarbonyl C23H30N2O4 398.220557 NA MeJP NA NA +MJ054463 Gambirine; Me ether C23H30N2O4 398.220557 NA MeJP NA NA +MJ054464 Geissovelline C23H30N2O4 398.220557 NA MeJP NA NA +MJ054465 Malagashanine C23H30N2O4 398.220557 NA MeJP NA NA +MJ054466 Mitragynine C23H30N2O4 398.220557 NA MeJP NA NA +MJ054467 Pholcodine C23H30N2O4 398.220557 NA MeJP NA NA +MJ054468 Sarcopharyngine C23H30N2O4 398.220557 NA MeJP NA NA +MJ054469 Strychnofendlerine; 11-Methoxy C23H30N2O4 398.220557 NA MeJP NA NA +MJ054470 Turcberine C23H30N2O4 398.220557 NA MeJP NA NA +MJ054471 Turconidine C23H30N2O4 398.220557 NA MeJP NA NA +MJ054472 Vindoline, Deacetoxy C23H30N2O4 398.220557 NA MeJP NA NA +MJ054473 Voacangine; 3R-Methoxy C23H30N2O4 398.220557 NA MeJP NA NA +MetaCyc03361 deacetoxyvindoline [Desacetoxyvindoline;] C23H30N2O4 398.220557 NA metacyc NA NA +C02673 Desacetoxyvindoline C23H30N2O4 398.2206 NA KEGG NA NA +C09226 Mitragynine C23H30N2O4 398.2206 NA KEGG NA NA +MJ054474 3,11(13)-Eudesmadiene-1,12-diol, 12-O-?-D-Glucopyranoside C21H34O7 398.230453 NA MeJP NA NA +MJ054475 3,8,14,15,16,18-Hexahydroxypregnan-20-one C21H34O7 398.230453 NA MeJP NA NA +MJ054476 4(15),11-Eudesmadiene-1,3-diol, 3-O-?-D-Glucopyranoside C21H34O7 398.230453 NA MeJP NA NA +MJ054477 Alternaric acid; 10-Deoxy, 6R,8,9,19-tetrahydro C21H34O7 398.230453 NA MeJP NA NA +MJ054478 Neorustmicin B C21H34O7 398.230453 NA MeJP NA NA +MJ054479 Phlebiakauranol C21H34O7 398.230453 NA MeJP NA NA +MJ054480 Pregn-5-ene-3,8,11,12,14,17,20-heptol C21H34O7 398.230453 NA MeJP NA NA +MJ054481 Lapirium(1+); Chloride C21H35ClN2O3 398.23362 NA MeJP NA NA +MJ054482 Eponemycin C20H34N2O6 398.241686 NA MeJP NA NA +C14446 Tris(butoxyethyl)phosphate C18H39O7P 398.2433 NA KEGG NA NA +C14947 17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate C25H34O4 398.2457 NA KEGG NA NA +C15046 Pregna-5,16,20-triene-3beta,20-diol diacetate C25H34O4 398.2457 NA KEGG NA NA +MJ054483 1(10),4-Germacradien-6-ol, 4-Hydroxy-3-methoxycinnamoyl C25H34O4 398.245709 NA MeJP NA NA +MJ054484 12-Hydroxy-9(11),16-kauradien-19-oic acid, Angeloyl C25H34O4 398.245709 NA MeJP NA NA +MJ054485 12-Hydroxy-9(11),16-kauradien-19-oic acid, O-(3-Methyl-2-butenoyl) C25H34O4 398.245709 NA MeJP NA NA +MJ054486 3-Hydroxy-9(11),15-kauradien-19-oic acid, Tigloyl C25H34O4 398.245709 NA MeJP NA NA +MJ054487 5,6-Epoxy-5,6,7,8-tetrahydro-3-hydroxy-8-oxo-12'-apo-?,?-carotenal C25H34O4 398.245709 NA MeJP NA NA +MJ054488 5-[13-(3-Furanyl)-2,6,10-trimethyl-2,6,8-tridecatrienyl]-4-hydroxy-3-methyl-2(5H)-furanone C25H34O4 398.245709 NA MeJP NA NA +MJ054489 6(14)-Thapsen-13-ol; 4-Hydroxy-3-methoxycinnamoyl C25H34O4 398.245709 NA MeJP NA NA +MJ054490 Avarol; Di-Ac C25H34O4 398.245709 NA MeJP NA NA +MJ054491 Blazeispirol A C25H34O4 398.245709 NA MeJP NA NA +MJ054492 Crispatene C25H34O4 398.245709 NA MeJP NA NA +MJ054493 Dehydromanoalide C25H34O4 398.245709 NA MeJP NA NA +MJ054494 Elysione C25H34O4 398.245709 NA MeJP NA NA +MJ054495 Fasciculatin C25H34O4 398.245709 NA MeJP NA NA +MJ054496 Felixinin C25H34O4 398.245709 NA MeJP NA NA +MJ054497 Isofasciculatin C25H34O4 398.245709 NA MeJP NA NA +MJ054498 Isopalinurin C25H34O4 398.245709 NA MeJP NA NA +MJ054499 Luffarin E; 21-Aldehyde C25H34O4 398.245709 NA MeJP NA NA +MJ054500 Luffarin T; 16,17-Dihydro C25H34O4 398.245709 NA MeJP NA NA +MJ054501 Metynodiol; Di-Ac C25H34O4 398.245709 NA MeJP NA NA +MJ054502 Palinurin C25H34O4 398.245709 NA MeJP NA NA +MJ054503 Palominin C25H34O4 398.245709 NA MeJP NA NA +MJ054504 Plakortolide C25H34O4 398.245709 NA MeJP NA NA +MJ054505 Strobilinin C25H34O4 398.245709 NA MeJP NA NA +MJ054506 Tridachiapyrone A C25H34O4 398.245709 NA MeJP NA NA +MJ054507 Variabilin C25H34O4 398.245709 NA MeJP NA NA +PJ000892 GPLL C19H34N4O5 398.2529 NA PeJP NA NA +MJ054508 Valylvalylargininal; N-Ac C18H34N6O4 398.264153 NA MeJP NA NA +MJ054509 8,13-Epoxy-14,15,16,19-labdanetetrol, 19-Ac C22H38O6 398.266838 NA MeJP NA NA +MJ054510 Ligantrol; 18-Ac C22H38O6 398.266838 NA MeJP NA NA +MJ054511 12-Hydroxy-25-nor-15,17-scalaradien-24-al; 12?-form, Ac C26H38O3 398.282095 NA MeJP NA NA +MJ054512 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Cyclohexanecarboxylate C26H38O3 398.282095 NA MeJP NA NA +MJ054513 17-Hydroxyestr-4-en-3-one; 17?-form, Cyclopentanepropanoyl C26H38O3 398.282095 NA MeJP NA NA +MJ054514 24-Methyl-12-oxo-17-scalaren-25,24-olide C26H38O3 398.282095 NA MeJP NA NA +MJ054515 3-Heptadecadienyl-3,4-dihydro-8-hydroxy-1H-2-benzopyran-1-one C26H38O3 398.282095 NA MeJP NA NA +MJ054516 3-Oxo-24,25,26,27-tetranorcycloartan-23,16-olide C26H38O3 398.282095 NA MeJP NA NA +MJ054517 Pentagestrone C26H38O3 398.282095 NA MeJP NA NA +MJ054518 Strongylophorine 5 C26H38O3 398.282095 NA MeJP NA NA +C14603 17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate C26H38O3 398.2821 NA KEGG NA NA +MJ054519 Dimorpholamine C20H38N4O4 398.289305 NA MeJP NA NA +MJ054520 Lystatin C20H38N4O4 398.289305 NA MeJP NA NA +MJ054521 Tryptamine; Nb-(7-Methoxy-4-tetradecenoyl)(4E,7S-) C25H38N2O2 398.293328 NA MeJP NA NA +EUR397 Calcitriol F2 F2 398.314975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR397 Calcitriol F2 NA 398.314975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR397 Calcitriol F2 F2 398.314975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR397 Calcitriol F2 NA 398.314975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR397 Calcitriol F2 F2 398.314975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR397 Calcitriol F2 NA 398.314975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR397 Calcitriol F2 F2 398.314975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR397 Calcitriol F2 F2 398.314975 standards wishlist analysés sur QTOF HMDB NA NA +EUR397 Calcitriol F2 F2 398.314975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR397 Calcitriol F2 NA 398.314975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR397 Calcitriol F2 F2 398.314975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR397 Calcitriol F2 F2 398.314975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ054522 21-Norergosta-7,17(20),24(28)-triene-1,3-diol C27H42O2 398.31848 NA MeJP NA NA +MJ054523 21-Norergosta-7,17(20),24(28)-triene-3,19-diol C27H42O2 398.31848 NA MeJP NA NA +MJ054524 21-Norergosta-7,20(22),24(28)-triene-3,19-diol C27H42O2 398.31848 NA MeJP NA NA +MJ054525 25,26,27-Trinor-3-oxocycloartan-24-al C27H42O2 398.31848 NA MeJP NA NA +MJ054526 3-Hydroxy-25,26,27-trinorlanosta-9(11),16-dien-23-one; 3?-form C27H42O2 398.31848 NA MeJP NA NA +MJ054527 3-Hydroxycholesta-5,22-dien-24-one C27H42O2 398.31848 NA MeJP NA NA +MJ054528 3-Hydroxycholesta-5,22-dien-7-one C27H42O2 398.31848 NA MeJP NA NA +MJ054529 3-Hydroxycholesta-5,24-dien-23-one C27H42O2 398.31848 NA MeJP NA NA +MJ054530 3-Hydroxycholesta-5,25-dien-24-one C27H42O2 398.31848 NA MeJP NA NA +MJ054531 3-Hydroxycholesta-8,14-dien-23-one C27H42O2 398.31848 NA MeJP NA NA +MJ054532 8,19-Epoxy-21-norergosta-17(20),24(28)-dien-3-ol C27H42O2 398.31848 NA MeJP NA NA +MJ054533 9,10-Secocholesta-5,7,10(19),23-tetraene-3,25-diol C27H42O2 398.31848 NA MeJP NA NA +MJ054534 9,10-Secocholesta-5,7,10(19),24-tetraene-1,3-diol C27H42O2 398.31848 NA MeJP NA NA +MJ054535 Astrogorgiadiol; 24,25-Didehydro C27H42O2 398.31848 NA MeJP NA NA +MJ054536 Astrogorgiadiol; 9-Ketone C27H42O2 398.31848 NA MeJP NA NA +MJ054537 Bourjotone C27H42O2 398.31848 NA MeJP NA NA +MJ054538 Cholest-1-ene-3,22-dione C27H42O2 398.31848 NA MeJP NA NA +MJ054539 Cholest-22-ene-3,6-dione; 22E-form C27H42O2 398.31848 NA MeJP NA NA +MJ054540 Cholest-3-ene-7,11-dione C27H42O2 398.31848 NA MeJP NA NA +MJ054541 Cholest-4-ene-3,24-dione C27H42O2 398.31848 NA MeJP NA NA +MJ054542 Cholesta-7,9(11),22-triene-3,6-diol C27H42O2 398.31848 NA MeJP NA NA +MJ054543 Cholesta-9(11),17(20),24-triene-3,6-diol C27H42O2 398.31848 NA MeJP NA NA +MJ054544 Sarcodictyenone C27H42O2 398.31848 NA MeJP NA NA +MJ054545 Harappamine; N20-De-Me C26H42N2O 398.329713 NA MeJP NA NA +MJ054546 Papilinine C26H42N2O 398.329713 NA MeJP NA NA +MJ054547 Pregna-5,16-diene-3,20-diamine, N3,N3,N20-Tri-Me, N20-Ac C26H42N2O 398.329713 NA MeJP NA NA +MJ054548 Tryptamine; Nb-Hexadecanoyl C26H42N2O 398.329713 NA MeJP NA NA +MJ054549 Xestamine A; N1-Me C26H43N2O(+) 398.329714 NA MeJP NA NA +MJ054550 11,13-Dihydroxy-9-tetracosenoic acid C24H46O4 398.339609 NA MeJP NA NA +MJ054551 5-Alkyl-3,5-dimethyl-1,2-dioxolane-3-acetic acids; 5-Heptadecyl-3,5-dimethyl-1,2-dioxolane-3-acetic acid C24H46O4 398.339609 NA MeJP NA NA +MJ054552 Tetracosanedioic acid C24H46O4 398.339609 NA MeJP NA NA +MJ054553 (3-Aminopropyl)(carboxymethyl)dimethylammonium betaine; N-Hexadecanoyl C23H46N2O3 398.350843 NA MeJP NA NA +HMDB01217 4a-Methylzymosterol C28H46O 398.354858 NA HMDB2010 NA NA +HMDB06847 Episterol C28H46O 398.354858 NA HMDB2010 NA NA +HMDB06849 24-Methylenecholesterol C28H46O 398.354858 NA HMDB2010 NA NA +HMDB11181 Brassicasterol C28H46O 398.354858 NA HMDB2010 NA NA +HMDB11606 4-alpha-Methyl-5-alpha-cholest-7-en-3-one C28H46O 398.354858 NA HMDB2010 NA NA +HMDB12174 4Alpha-methyl-5alpha-cholesta-8-en-3-one C28H46O 398.354858 NA HMDB2010 NA NA +HMDB12196 Campest-4-en-3-one C28H46O 398.354858 NA HMDB2010 NA NA +HMDB01217 4a-Methylzymosterol C28H46O 398.35486 http://www.hmdb.ca/metabolites/HMDB01217 HMDB NA NA +HMDB06846 24-Methylenelophenol C28H46O 398.35486 http://www.hmdb.ca/metabolites/HMDB06846 HMDB NA NA +HMDB06847 Episterol C28H46O 398.35486 http://www.hmdb.ca/metabolites/HMDB06847 HMDB NA NA +HMDB06849 24-Methylenecholesterol C28H46O 398.35486 http://www.hmdb.ca/metabolites/HMDB06849 HMDB NA NA +HMDB06926 4alpha-Methylzymosterol C28H46O 398.35486 http://www.hmdb.ca/metabolites/HMDB06926 HMDB NA NA +HMDB01217 4a-Methylzymosterol C28H46O 398.35486 HMDB01217 PFEM_hmdb_metabocards_official NA NA +HMDB06846 24-Methylenelophenol C28H46O 398.35486 HMDB06846 PFEM_hmdb_metabocards_official NA NA +HMDB06847 Episterol C28H46O 398.35486 HMDB06847 PFEM_hmdb_metabocards_official NA NA +HMDB06849 24-Methylenecholesterol C28H46O 398.35486 HMDB06849 PFEM_hmdb_metabocards_official NA NA +HMDB06926 4alpha-Methylzymosterol C28H46O 398.35486 HMDB06926 PFEM_hmdb_metabocards_official NA NA +MJ054554 14-Methyl-9,19-cyclocholest-24-en-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054555 14-Methylcholesta-8,24-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054556 19-Norstigmasta-5,22-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054557 22-Methylcholesta-5,23-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054558 22-Methylenecholest-5-en-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054559 23,24-Methylenecholesterol C28H46O 398.354866 NA MeJP NA NA +MJ054560 23-Methyl-24,26-cyclocholest-5-en-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054561 23-Methyl-27-norergosta-5,25-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054562 23-Methylcholesta-5,22-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054563 24-Methylcholesta-5,22-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054564 27-Norergosta-5,22-dien-3-ol, Me ether C28H46O 398.354866 NA MeJP NA NA +MJ054565 4,23-Dinor-3,4-seco-5(24)-filicen-3-al C28H46O 398.354866 NA MeJP NA NA +MJ054566 4-Methylcholest-8-en-3-ol, 3-Ketone C28H46O 398.354866 NA MeJP NA NA +MJ054567 4-Methylcholesta-7,24-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054568 4-Methylcholesta-8,14-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054569 4-Methylcholesta-8,22-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054570 4-Methylcholesta-8,24-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054571 6,10,14,18,22-Pentamethyl-5,9,13,17,21-tricosapentaen-2-one C28H46O 398.354866 NA MeJP NA NA +MJ054572 9,10-Secoergosta-5,7,10(19)-trien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054573 9,10-Secoergosta-5,7,22-trien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054574 Ergost-4-en-3-one C28H46O 398.354866 NA MeJP NA NA +MJ054575 Ergost-7-en-3-ol, 3-Ketone C28H46O 398.354866 NA MeJP NA NA +MJ054576 Ergosta-16,20(22)-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054577 Ergosta-17(20),22-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054578 Ergosta-5,20-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054579 Ergosta-5,23-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054580 Ergosta-5,24(28)-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054581 Ergosta-5,24-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054582 Ergosta-5,25-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054583 Ergosta-5,7-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054584 Ergosta-7,22-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054585 Ergosta-7,23-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054586 Ergosta-7,24(28)-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054587 Ergosta-7,25-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054588 Ergosta-8(14),22-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054589 Ergosta-8,23-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054590 Ergosta-8,24(28)-dien-3-ol C28H46O 398.354866 NA MeJP NA NA +MJ054591 Sormosterol C28H46O 398.354866 NA MeJP NA NA +MetaCyc03362 fecosterol [24-methylene-5α-cholest-8-en-3β-ol;] C28H46O1 398.354866 NA metacyc NA NA +MetaCyc03363 4-α-methyl zymosterol [4-methyl-8,24-cholestadienol;4-α-methyl-5α-cholesta-8,24-dien-3β-ol;] C28H46O1 398.354866 NA metacyc NA NA +MetaCyc03364 4α-methyl-5α-cholest-7-en-3-one [] C28H46O1 398.354866 NA metacyc NA NA +MetaCyc03365 episterol [] C28H46O1 398.354866 NA metacyc NA NA +MetaCyc03366 24-methylenecholesterol [] C28H46O1 398.354866 NA metacyc NA NA +MetaCyc03367 4α-methyl-cholesta-8,14-dienol [] C28H46O1 398.354866 NA metacyc NA NA +MetaCyc03368 brassicasterol [] C28H46O1 398.354866 NA metacyc NA NA +MetaCyc03369 24-methyldesmosterol [] C28H46O1 398.354866 NA metacyc NA NA +MetaCyc03370 campest-4-en-3-one [methylcholestenone;(24R)-24-methyl-cholest-4-en-3-one;3-dehydro-Δ4-5-campesterol;] C28H46O1 398.354866 NA metacyc NA NA +MetaCyc03371 campest-5-en-3-one [] C28H46O1 398.354866 NA metacyc NA NA +C04453 4alpha-Methyl-5alpha-cholest-7-en-3-one C28H46O 398.3549 NA KEGG NA NA +C04525 Fecosterol C28H46O 398.3549 NA KEGG NA NA +C05103 4alpha-Methylzymosterol C28H46O 398.3549 NA KEGG NA NA +C06957 Dihydrotachysterol C28H46O 398.3549 NA KEGG NA NA +C08813 Brassicasterol C28H46O 398.3549 NA KEGG NA NA +C15777 Episterol C28H46O 398.3549 NA KEGG NA NA +C15781 24-Methylenecholesterol C28H46O 398.3549 NA KEGG NA NA +C15785 Campest-4-en-3-one C28H46O 398.3549 NA KEGG NA NA +C18192 Vitamin D4 C28H46O 398.3549 NA KEGG NA NA +MJ054592 Buxamine I; 30-Nor, N-tetra-Me C27H46N2 398.366099 NA MeJP NA NA +MJ054593 Buxamine I; N3,N20,N20-Tri-Me C27H46N2 398.366099 NA MeJP NA NA +MJ054594 Buxamine I; N3,N3,N20-Tri-Me C27H46N2 398.366099 NA MeJP NA NA +MJ054595 Buxupapine C27H46N2 398.366099 NA MeJP NA NA +MJ054596 Cycloprotobuxine I; N3,N20,N20-Tri-Me, 6,7-didehydro C27H46N2 398.366099 NA MeJP NA NA +MJ054597 Sarachine C27H46N2 398.366099 NA MeJP NA NA +MJ054598 15-Hydroxypentacosanoic acid C25H50O3 398.375995 NA MeJP NA NA +MJ054599 2-Hydroxy-22-methyltetracosanoic acid C25H50O3 398.375995 NA MeJP NA NA +MJ054600 24-Norlupane C29H50 398.391251 NA MeJP NA NA +MJ054601 30-Norhopane C29H50 398.391251 NA MeJP NA NA +MJ054602 Stigmast-8-ene C29H50 398.391251 NA MeJP NA NA +MJ054603 1,26-Hexacosanediol C26H54O2 398.41238 NA MeJP NA NA +MJ054604 1,7-Hexacosanediol C26H54O2 398.41238 NA MeJP NA NA +MJ054605 Convolutamine A; N-De(2-hydroxypropyl) C10H12Br3NO 398.846901 NA MeJP NA NA +MJ054606 Oxyclozanide C13H6Cl5NO3 398.879031 NA MeJP NA NA +HMDB00793 Monoiodothyronine C15H14INO4 398.996765 NA HMDB2010 NA NA +HMDB00793 Monoiodothyronine C15H14INO4 398.99677 http://www.hmdb.ca/metabolites/HMDB00793 HMDB NA NA +HMDB00793 Monoiodothyronine C15H14INO4 398.99677 HMDB00793 PFEM_hmdb_metabocards_official NA NA +C13400 Bufferin C9H8O4 399.0233 NA KEGG NA NA +C13401 Transferred to D01924 C9H8O4 399.0233 NA KEGG NA NA +C13402 Transferred to D01925 C9H8O4 399.0233 NA KEGG NA NA +C12768 Timepidium bromide C17H22NOS2 399.0326 NA KEGG NA NA +C12769 Transferred to D01336 C17H22NOS2 399.0326 NA KEGG NA NA +C12770 Transferred to D01337 C17H22NOS2 399.0326 NA KEGG NA NA +C12771 Transferred to D01338 C17H22NOS2 399.0326 NA KEGG NA NA +C12772 Transferred to D01339 C17H22NOS2 399.0326 NA KEGG NA NA +C12773 Transferred to D01340 C17H22NOS2 399.0326 NA KEGG NA NA +C12774 Transferred to D01341 C17H22NOS2 399.0326 NA KEGG NA NA +C12775 Transferred to D01342 C17H22NOS2 399.0326 NA KEGG NA NA +C12776 Transferred to D01343 C17H22NOS2 399.0326 NA KEGG NA NA +C12777 Transferred to D01344 C17H22NOS2 399.0326 NA KEGG NA NA +C12778 Transferred to D01345 C17H22NOS2 399.0326 NA KEGG NA NA +C12779 Transferred to D01346 C17H22NOS2 399.0326 NA KEGG NA NA +C12780 Transferred to D01347 C17H22NOS2 399.0326 NA KEGG NA NA +C12781 Transferred to D01348 C17H22NOS2 399.0326 NA KEGG NA NA +C12782 Transferred to D02450 C17H22NOS2 399.0326 NA KEGG NA NA +C12783 Transferred to D01349 C17H22NOS2 399.0326 NA KEGG NA NA +C12784 Transferred to D01350 C17H22NOS2 399.0326 NA KEGG NA NA +C12785 Transferred to D01351 C17H22NOS2 399.0326 NA KEGG NA NA +C12786 Transferred to D01352 C17H22NOS2 399.0326 NA KEGG NA NA +C12787 Transferred to D01353 C17H22NOS2 399.0326 NA KEGG NA NA +C12788 Transferred to D01354 C17H22NOS2 399.0326 NA KEGG NA NA +C12789 Transferred to D01355 C17H22NOS2 399.0326 NA KEGG NA NA +C12791 Transferred to D01356 C17H22NOS2 399.0326 NA KEGG NA NA +C12792 Transferred to D01357 C17H22NOS2 399.0326 NA KEGG NA NA +C12793 Transferred to D01358 C17H22NOS2 399.0326 NA KEGG NA NA +C12794 Transferred to D01359 C17H22NOS2 399.0326 NA KEGG NA NA +C12795 Transferred to D01360 C17H22NOS2 399.0326 NA KEGG NA NA +MJ054607 Timepidium(1+), Bromide C17H22BrNOS2 399.032618 NA MeJP NA NA +MJ054608 Atpenin; Atpenin B C15H20Cl3NO5 399.040705 NA MeJP NA NA +MJ054609 2,2-Dimethyl-1,3-propanediamine(propanedioato)platinum C8H16N2O4Pt 399.075781 NA MeJP NA NA +MJ054610 Nocardicin E C19H17N3O7 399.106649 NA MeJP NA NA +MetaCyc03372 nocardicin E [] C19H17N3O7 399.10665 NA metacyc NA NA +C01739 Nocardicin E C19H17N3O7 399.1067 NA KEGG NA NA +C17354 Nocardicin F C19H17N3O7 399.1067 NA KEGG NA NA +PJ000893 CDY C16H21N3O7S 399.11 NA PeJP NA NA +MJ054611 Deacetoxycephalosporin C; N-Ac C16H21N3O7S 399.11002 NA MeJP NA NA +MJ054612 Cylindrospermopsin; 7-Deoxy C15H21N5O6S 399.121254 NA MeJP NA NA +PJ000894 CMF C17H25N3O4S2 399.1287 NA PeJP NA NA +C09593 Narcotoline C21H21NO7 399.1318 NA KEGG NA NA +MJ054613 Adlumidiceine C21H21NO7 399.131802 NA MeJP NA NA +MJ054614 Berbervirine C21H21NO7 399.131802 NA MeJP NA NA +MJ054615 Cassyfiline; N-(Methoxycarbonyl) C21H21NO7 399.131802 NA MeJP NA NA +MJ054616 Ceratonicine C21H21NO7 399.131802 NA MeJP NA NA +MJ054617 Narcotine, O8-De-Me C21H21NO7 399.131802 NA MeJP NA NA +MJ054618 Narlumidine; 8-Alcohol C21H21NO7 399.131802 NA MeJP NA NA +MJ054619 Palmanine C21H21NO7 399.131802 NA MeJP NA NA +MJ054620 Prepseudopalmanine C21H21NO7 399.131802 NA MeJP NA NA +MJ054621 Torulosinine C21H21NO7 399.131802 NA MeJP NA NA +MJ054622 Axamozide C21H22ClN3O3 399.134969 NA MeJP NA NA +C11803 Oxmetidine C19H21N5O3S 399.1365 NA KEGG NA NA +MJ054623 Oxmetidine C19H21N5O3S 399.13651 NA MeJP NA NA +PJ000895 DEH C15H21N5O8 399.139 NA PeJP NA NA +MJ054624 Biopterin, 1'-O-D-Glucopyranoside C15H21N5O8 399.139012 NA MeJP NA NA +MJ054625 Biopterin, 2'-O-?-D-Glucopyranoside C15H21N5O8 399.139012 NA MeJP NA NA +C11234 Difloxacin C21H19F2N3O3 399.1394 NA KEGG NA NA +MJ054626 Difloxacin C21H19F2N3O3 399.139447 NA MeJP NA NA +MJ054627 9-Hydroxy-6-hydroxymethyl-1-phenazinecarboxylic acid; 9-Me ether, 1'-O-(2-amino-3-hydroxy-3-methylbutanoyl)(S-) C20H21N3O6 399.143035 NA MeJP NA NA +HMDB01185 S-Adenosylmethionine C15H23N6O5S 399.14505 http://www.hmdb.ca/metabolites/HMDB01185 PFEM_hmdb_metabocards_urine NA urine +HMDB01185 S-Adenosylmethionine C15H23N6O5S 399.14505 http://www.hmdb.ca/metabolites/HMDB01185 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01185 S-Adenosylmethionine C15H23N6O5S 399.14505 http://www.hmdb.ca/metabolites/HMDB01185 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB01185 S-Adenosylmethionine C15H23N6O5S 399.14505 http://www.hmdb.ca/metabolites/HMDB01185 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01185 S-Adenosylmethionine C15H23N6O5S 399.14505 http://www.hmdb.ca/metabolites/HMDB01185 HMDB NA NA +HMDB01185 S-Adenosylmethionine C15H23N6O5S 399.14505 http://www.hmdb.ca/metabolites/HMDB01185 PFEM_hmdb_metabocards_blood NA blood +HMDB01185 S-Adenosylmethionine C15H23N6O5S 399.14505 HMDB01185 PFEM_hmdb_metabocards_official NA NA +HMDB01185 S-Adenosylmethionine C15H23N6O5S 399.14505 NA HMDB2010 NA NA +MJ054628 S-Adenosyl-L-methionine C15H23N6O5S 399.145063 NA MeJP NA NA +MetaCyc03373 S-adenosyl-L-methionine [AdoMet;SAM;2-S-adenosyl-L-methionine;S-adenosyl-methionine;adenosylmethionine;S-adenosylmethionine;] C15H23N6O5S1 399.145064 29908-03-0 metacyc NA NA +EUR055 Adenosylmethionine C15H23N6O5S 399.145066 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR055 Adenosylmethionine C15H23N6O5S 399.145066 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR055 Adenosylmethionine C15H23N6O5S 399.145066 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR055 Adenosylmethionine C15H23N6O5S 399.145066 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR055 Adenosylmethionine C15H23N6O5S 399.145066 Wishlist HMDB NA NA +EUR055 Adenosylmethionine C15H23N6O5S 399.145066 Wishlist Inhouse_PFEM NA NA +EUR055 Adenosylmethionine C15H23N6O5S 399.145066 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR055 Adenosylmethionine C15H23N6O5S 399.145066 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR055 S-Adenosylmethionine C15H23N6O5S 399.1451 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR055 S-Adenosylmethionine C15H23N6O5S 399.1451 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR055 S-Adenosylmethionine C15H23N6O5S 399.1451 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR055 S-Adenosylmethionine C15H23N6O5S 399.1451 Wishlist Inhousejuil11 NA NA +MJ054629 Azapride C20H22ClN5O2 399.146202 NA MeJP NA NA +PJ000896 SMY C17H25N3O6S 399.1464 NA PeJP NA NA +MJ054630 [3-[2-(4,5-Diphenyl-2-oxazolyl)ethyl]phenoxy]acetic acid C25H21NO4 399.147058 NA MeJP NA NA +MJ054631 Paraensine C24H21N3O3 399.158291 NA MeJP NA NA +MJ054632 Pipazetate C21H25N3O3S 399.161662 NA MeJP NA NA +MJ054633 1-[6-[[(4-Aminophenyl)methyl]amino]-9H-purin-9-yl]-1-deoxy-N-methyl-?-D-ribofuranuronamide C18H21N7O4 399.165502 NA MeJP NA NA +MJ054634 ?-Lumicolchicine C22H25NO6 399.168187 NA MeJP NA NA +MJ054635 AK toxin II C22H25NO6 399.168187 NA MeJP NA NA +MJ054636 Alkaloid K4; Me ether C22H25NO6 399.168187 NA MeJP NA NA +MJ054637 Colchicine C22H25NO6 399.168187 NA MeJP NA NA +MJ054638 Cordrastine C22H25NO6 399.168187 NA MeJP NA NA +MJ054639 Demecolcine, N-Formyl C22H25NO6 399.168187 NA MeJP NA NA +MJ054640 Epiglaudine C22H25NO6 399.168187 NA MeJP NA NA +MJ054641 Fagarine I; 12-Methoxy C22H25NO6 399.168187 NA MeJP NA NA +MJ054642 Glaudine C22H25NO6 399.168187 NA MeJP NA NA +MJ054643 Leucoxylonine C22H25NO6 399.168187 NA MeJP NA NA +MJ054644 Macrantaline; 2'-Aldehyde C22H25NO6 399.168187 NA MeJP NA NA +MJ054645 Mecambridine C22H25NO6 399.168187 NA MeJP NA NA +MJ054646 Muramine; 13-Oxo C22H25NO6 399.168187 NA MeJP NA NA +MJ054647 Oreogenine; Me ether C22H25NO6 399.168187 NA MeJP NA NA +MJ054648 Oreonone C22H25NO6 399.168187 NA MeJP NA NA +MJ054649 Thalicsimidine, 6a,7-Didehydro, 7-hydroxy C22H25NO6 399.168187 NA MeJP NA NA +MJ054650 Thalicsimidine, N-De-Me, N-formyl C22H25NO6 399.168187 NA MeJP NA NA +MJ054651 Thalihazine; N-Oxide C22H25NO6 399.168187 NA MeJP NA NA +MJ054652 Papaverberbine; N-Me (?-) C22H26NO6(+) 399.168187 NA MeJP NA NA +C07592 Colchicine C22H25NO6 399.1682 NA KEGG NA NA +C16710 N-Formyldemecolcine C22H25NO6 399.1682 NA KEGG NA NA +C16711 Vitamin K epoxide C11H7O3R 399.1682 NA KEGG NA NA +MJ054653 4-Amino-5-chloro-2-methoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]oct-3-yl]benzamide C22H26ClN3O2 399.171354 NA MeJP NA NA +8025 synthetic peptide PHF 399.178 antibacterial Inhouse_peptide NA peptide +PJ000897 AFY C21H25N3O5 399.1794 NA PeJP NA NA +MJ054654 Bioxalomycin ?1; 10,13-Quinone, N-Me C21H25N3O5 399.17942 NA MeJP NA NA +MJ054655 Thiethylperazine C22H29N3S2 399.180289 NA MeJP NA NA +C07132 Thiethylperazine C22H29N3S2 399.1803 NA KEGG NA NA +C07133 Transferred to D00373 C22H29N3S2 399.1803 NA KEGG NA NA +C07134 Transferred to D00374 C22H29N3S2 399.1803 NA KEGG NA NA +C07135 Transferred to D00375 C22H29N3S2 399.1803 NA KEGG NA NA +C07136 Transferred to D00376 C22H29N3S2 399.1803 NA KEGG NA NA +C07138 Transferred to D00377 C22H29N3S2 399.1803 NA KEGG NA NA +7996 synthetic peptide LHM 399.1824 anticancer Inhouse_peptide NA peptide +MJ054656 Lenapenem C18H29N3O5S 399.182791 NA MeJP NA NA +MJ054657 Ansoxetine C26H25NO3 399.183443 NA MeJP NA NA +MJ054658 6-Ethyl-5-[(ethylthio)carbonyl]-2-phenyl-4-propyl-3-pyridinecarboxylic acid; Propyl ester C23H29NO3S 399.186814 NA MeJP NA NA +MJ054659 Onetine C19H29NO8 399.189316 NA MeJP NA NA +PJ000898 PHF C20H25N5O4 399.1907 NA PeJP NA NA +PJ000899 LMH C17H29N5O4S 399.194 NA PeJP NA NA +3744 NA VGAPG 399.199 ACE inhibitor Inhouse_peptide NA peptide +3745 NA GVAPG 399.199 ACE inhibitor Inhouse_peptide NA peptide +MJ054660 Kreysigine, Me ether C23H29NO5 399.204573 NA MeJP NA NA +MJ054661 Sczukidine; 2-Ac C23H29NO5 399.204573 NA MeJP NA NA +MJ054662 Spirodihydrobenzofuranlactam I; 7'-Oxo C23H29NO5 399.204573 NA MeJP NA NA +MJ054663 Yuzurimine D C23H29NO5 399.204573 NA MeJP NA NA +MJ054664 Thaicanine, N,O-Di-Me C23H30NO5(+) 399.204573 NA MeJP NA NA +C07339 Quinacrine C23H30ClN3O 399.2077 NA KEGG NA NA +MJ054665 Quinacrine C23H30ClN3O 399.20774 NA MeJP NA NA +MetaCyc03374 atabrine [quinacrine mustard;mepacrine;chinacrin;atebrin;acrichine;quinacrine;atabrine;] C23H30N3O1CL1 399.20774 83-89-6 metacyc NA NA +3373 ACE inhibitor from beta-CN PQR 399.211 celiac toxic Inhouse_peptide NA peptide +PJ000900 GPVQ C17H29N5O6 399.2118 NA PeJP NA NA +MJ054666 Peradoxime C22H29N3O4 399.215806 NA MeJP NA NA +PJ000901 PQR C16H29N7O5 399.223 NA PeJP NA NA +C11721 Candoxatrilat C20H33NO7 399.2257 NA KEGG NA NA +C11722 Transferred to D01070 C20H33NO7 399.2257 NA KEGG NA NA +MJ054667 Candoxatrilat C20H33NO7 399.225702 NA MeJP NA NA +MJ054668 Ipanguline D3; 2''-Epimer, 7-O-(2-methylbutanoyl), 3''-Ac C20H33NO7 399.225702 NA MeJP NA NA +MJ054669 Ipanguline D3; 7-O-(2-Methylbutanoyl), 3''-Ac C20H33NO7 399.225702 NA MeJP NA NA +MJ054670 Lithosenine; 3'-Deoxy, stereoisomer C20H33NO7 399.225702 NA MeJP NA NA +MJ054671 1-[4,11-Dihydroxy-13-(4-methoxyphenyl)-1-oxo-5,7,9-tridecatrienyl]pyrrolidine C24H33NO4 399.240958 NA MeJP NA NA +MJ054672 7,9-Dihydroxy-8,10-dimethyl-2,4-tridecadienoic acid, 9-O-Cinnamoyl(E-), amide C24H33NO4 399.240958 NA MeJP NA NA +MJ054673 Aspochalasin C; 18-Ketone C24H33NO4 399.240958 NA MeJP NA NA +MJ054674 Aspochalasin F C24H33NO4 399.240958 NA MeJP NA NA +MJ054675 Dehydronapelline; 12-Ac C24H33NO4 399.240958 NA MeJP NA NA +MJ054676 Dehydronapelline; 12-Epimer, O12-Ac C24H33NO4 399.240958 NA MeJP NA NA +MJ054677 Dehydronapelline; 12-Epimer, O15-Ac C24H33NO4 399.240958 NA MeJP NA NA +MJ054678 Dehydronapelline; 15-Ac C24H33NO4 399.240958 NA MeJP NA NA +MJ054679 Delnuttine; O-De-Ac, 7-(2-methylpropanoyl) C24H33NO4 399.240958 NA MeJP NA NA +MJ054680 Kirinine B; 11-Ac C24H33NO4 399.240958 NA MeJP NA NA +MJ054681 Songorine; 1 or 15-O-Ac C24H33NO4 399.240958 NA MeJP NA NA +MJ054682 Spiradine G; 6-Ac C24H33NO4 399.240958 NA MeJP NA NA +MJ054683 Spiramine C; 19-Epimer, O15-Ac C24H33NO4 399.240958 NA MeJP NA NA +MJ054684 Spiramine C; O15-Ac C24H33NO4 399.240958 NA MeJP NA NA +C08709 Spiramine A C24H33NO4 399.241 NA KEGG NA NA +3625 NA RKP 399.247 ACE inhibitor Inhouse_peptide NA peptide +3626 NA KRP 399.247 ACE inhibitor Inhouse_peptide NA peptide +PJ000902 GPVK C18H33N5O5 399.2482 NA PeJP NA NA +MJ054685 Isokalihinol F; 8?-Hydroxy C23H33N3O3 399.252191 NA MeJP NA NA +PJ000903 PKR C17H33N7O4 399.2594 NA PeJP NA NA +MJ054686 3,14-Clerodadiene-13,18-diol, 18-(2-Pyrrolecarbonyl) C25H37NO3 399.277344 NA MeJP NA NA +MJ054687 7-[3-[(2-Hydroxy-3-phenylpropyl)amino]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-5-heptenoic acid C25H37NO3 399.277344 NA MeJP NA NA +MJ054688 Antibiotic MBP 049-13 C25H37NO3 399.277344 NA MeJP NA NA +MJ054689 Epristeride C25H37NO3 399.277344 NA MeJP NA NA +MJ054690 Ophioboramine C25H37NO3 399.277344 NA MeJP NA NA +MJ054691 Smenospongine; N-(2-Methylpropyl) C25H37NO3 399.277344 NA MeJP NA NA +MJ054692 1-[1-(Cyclooctylmethyl)-3-(hydroxymethyl)-4-piperidinyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one C24H37N3O2 399.288577 NA MeJP NA NA +MJ054693 Benzyldodecylbis(2-hydroxyethyl)ammonium(1+); Chloride C23H42ClNO2 399.290407 NA MeJP NA NA +MJ054694 Buxaminone; 16?-Hydroxy C26H41NO2 399.313729 NA MeJP NA NA +MJ054695 Mycalazoles; Mycalazole 2 C26H41NO2 399.313729 NA MeJP NA NA +MJ054696 L-Palmitoylcarnitine C23H45NO4 399.334858 NA MeJP NA NA +MetaCyc03375 palmitoyl-carnitine [palmitylcarnitine;hexadecanoylcarnitine;palmitoyl-carnitine;] C23H45N1O4 399.334859 1935-18-8 metacyc NA NA +MetaCyc03376 L-Palmitoylcarnitine [] C23H45N1O4 399.334859 18877-64-0 metacyc NA NA +LABER069 Palmitoyl-L- carnitine NA 399.334869 NA PFEM_hmdb_metabocards_urine NA urine +LABER082 Palmitoyl-L- carnitine 24.79 399.334869 NA PFEM_hmdb_metabocards_urine NA urine +LABER069 Palmitoyl-L- carnitine NA 399.334869 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER082 Palmitoyl-L- carnitine 24.79 399.334869 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER069 Palmitoyl-L- carnitine NA 399.334869 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER082 Palmitoyl-L- carnitine 24.79 399.334869 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER069 Palmitoyl-L- carnitine NA 399.334869 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER082 Palmitoyl-L- carnitine 24.79 399.334869 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER069 Palmitoyl-L- carnitine NA 399.334869 NA HMDB NA NA +LABER082 Palmitoyl-L- carnitine 24.79 399.334869 NA HMDB NA NA +HMDB00222 L-Palmitoylcarnitine C23H45NO4 399.334869 NA HMDB2010 NA NA +LABER069 Palmitoyl-L- carnitine NA 399.334869 NA Inhouse_PFEM NA NA +LABER082 Palmitoyl-L- carnitine 24.79 399.334869 NA Inhouse_PFEM NA NA +LABER069 Palmitoyl-L- carnitine NA 399.334869 NA Inhousejuil11 NA NA +LABER082 Palmitoyl-L- carnitine 24.79 399.334869 NA Inhousejuil11 NA NA +LABER069 Palmitoyl-L- carnitine NA 399.334869 NA PFEM_hmdb_metabocards_blood NA blood +LABER082 Palmitoyl-L- carnitine 24.79 399.334869 NA PFEM_hmdb_metabocards_blood NA blood +LABER069 Palmitoyl-L- carnitine NA 399.334869 NA PFEM_hmdb_metabocards_official NA NA +LABER082 Palmitoyl-L- carnitine 24.79 399.334869 NA PFEM_hmdb_metabocards_official NA NA +HMDB00222 L-Palmitoylcarnitine C23H45NO4 399.33487 http://www.hmdb.ca/metabolites/HMDB00222 PFEM_hmdb_metabocards_urine NA urine +HMDB00222 L-Palmitoylcarnitine C23H45NO4 399.33487 http://www.hmdb.ca/metabolites/HMDB00222 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00222 L-Palmitoylcarnitine C23H45NO4 399.33487 http://www.hmdb.ca/metabolites/HMDB00222 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00222 L-Palmitoylcarnitine C23H45NO4 399.33487 http://www.hmdb.ca/metabolites/HMDB00222 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00222 L-Palmitoylcarnitine C23H45NO4 399.33487 http://www.hmdb.ca/metabolites/HMDB00222 HMDB NA NA +HMDB00222 L-Palmitoylcarnitine C23H45NO4 399.33487 Short chain acyl carnitines ;SYN:4-(N-Trimethylamino)butyrate; 4-Butyrobetaine; 4-Trimethylammoniobutanoate; Actinine; Butyrobetaine; Deoxycarnitine; gamma-Butyrobetaine; 4-Trimethylammoniobutanoic acidH2Blood Inhouse_peptide NA peptide +HMDB00222 L-Palmitoylcarnitine C23H45NO4 399.33487 http://www.hmdb.ca/metabolites/HMDB00222 PFEM_hmdb_metabocards_blood NA blood +HMDB00222 L-Palmitoylcarnitine C23H45NO4 399.33487 HMDB00222 PFEM_hmdb_metabocards_official NA NA +C02990 L-Palmitoylcarnitine C23H45NO4 399.3349 NA KEGG NA NA +C15251 3-Aza-A-homocholest-4a-en-4-one C27H45NO 399.3501 NA KEGG NA NA +MJ054697 Demissidine; 3-Epimer C27H45NO 399.350115 NA MeJP NA NA +MJ054698 Demissidine; 5-Epimer C27H45NO 399.350115 NA MeJP NA NA +MJ054699 Solacongestidine C27H45NO 399.350115 NA MeJP NA NA +MJ054700 Verazine; 22S,N-Dihydro C27H45NO 399.350115 NA MeJP NA NA +3731 NA YPFGFLG 399.6885 MH2+ Inhouse_peptide NA peptide +3733 NA YPFGFIG 399.6885 MH2+ Inhouse_peptide NA peptide +MJ054701 2,2,4,4-Tetrachloro-1-(dichloromethyl)-5-(dichloromethylene)-1,3-cyclopentenediol C7H4Cl8O2 399.771951 NA MeJP NA NA +MJ054702 4,5-Dibromo-9,10-dihydro-2,3,6,7-phenanthrenetetrol C14H10Br2O4 399.894584 NA MeJP NA NA +MJ054703 14,16-Dibromo-7,9,13,15-hexadecatetraen-5-ynoic acid C16H18Br2O2 399.967355 NA MeJP NA NA +MJ054704 Dibromocyclocacoxanthene C16H18Br2O2 399.967355 NA MeJP NA NA +MJ054705 Mafosfamide C9H19Cl2N2O5PS2 399.985005 NA MeJP NA NA +MJ054706 Bis(8-quinolinolato-N1,O8)cadmium C18H12CdN2O2 399.992634 NA MeJP NA NA +MJ054707 2',4,6,6'-Tetrahydroxy-4'-methylbenzophenone-2-carboxylic acid; 3',5'-Dichloro, 6-Me ether, Me ester C17H14Cl2O7 400.011658 NA MeJP NA NA +MJ054708 Lecanoric acid; 3,5-Dichloro, Me ester C17H14Cl2O7 400.011658 NA MeJP NA NA +MJ054709 4,6-Dichloro-3-[(2-oxo-1-phenyl-3-pyrrolidinylidene)methyl]-1H-indole-2-carboxylic acid C20H14Cl2N2O3 400.038147 NA MeJP NA NA +C03853 Bis(glycerophospho)-glycerol C9H22O13P2 400.0536 NA KEGG NA NA +MJ054710 Xestoquinol; 16-Sulfate C20H16O7S 400.061673 NA MeJP NA NA +C12382 4-Demethylpremithramycinone C20H16O9 400.0794 NA KEGG NA NA +FL5FAANI0006 3,5,7,4'-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-alpha-methyl-gamma,4-dioxo-4H-1-benzopyran-8-butanoic acid C20H16O9 400.07943 116368-96-8 knapsack NA NA +FL5FEGNS0018 3,5,3'-Trimethoxy-6,7:4',5'-bis(methylenedioxy)flavone C20H16O9 400.07943 132185-75-2 knapsack NA NA +FL5FGCNS0025 3,5,8-Trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone;6-(1,3-Benzodioxol-5-yl)-4,7,9-trimethoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one C20H16O9 400.07943 80370-39-4 knapsack NA NA +MJ054711 3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',5-Tri-Me, 4',5':6,7-bis(methylene)ether C20H16O9 400.079432 NA MeJP NA NA +MJ054712 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4':6,7-Bis(methylene), 3,5,8-tri-Me ether C20H16O9 400.079432 NA MeJP NA NA +MJ054713 Cercophorin A C20H16O9 400.079432 NA MeJP NA NA +MJ054714 Paeciloquinone B C20H16O9 400.079432 NA MeJP NA NA +MJ054715 Premithramycinone; O-De-Me C20H16O9 400.079432 NA MeJP NA NA +MJ054716 Stictic acid; 1'-Me ether C20H16O9 400.079432 NA MeJP NA NA +MJ054717 Theaflagallin C20H16O9 400.079432 NA MeJP NA NA +MJ054718 Versiconal acetate C20H16O9 400.079432 NA MeJP NA NA +MJ054719 Versiconal hemiacetal acetate C20H16O9 400.079432 NA MeJP NA NA +FL1C1ANN0001 Lophirone D C24H16O6 400.09468 122127-70-2 knapsack NA NA +FL5FA9NN0001 (-)-8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone;(-)-9,10-Dihydro-3,5-dihydroxy-2,10-diphenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4,8-dione C24H16O6 400.09468 151193-59-8 knapsack NA NA +MJ054720 Calomelanol D; 3-Deoxy C24H16O6 400.094688 NA MeJP NA NA +MJ054721 Calomelanol D; 4'-Deoxy C24H16O6 400.094688 NA MeJP NA NA +MJ054722 Sphagnorubin A; 11-Me ether C24H16O6 400.094688 NA MeJP NA NA +MJ054723 5-Mercaptohistidine, 1-Me, disulfide C14H20N6O4S2 400.098744 NA MeJP NA NA +CJneg0591 Chlorogenic acid [(M-H)+(HCOOH)]- C17H19O11 400.101125 C18rt(min)=5.52 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0591 Chlorogenic acid [(M-H)+(HCOOH)]- C17H19O11 400.101125 C18rt(min)=5.52 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +C03725 S-Acetylphosphopantetheine C13H25N2O8PS 400.1069 NA KEGG NA NA +C03726 S-Alkyl-L-cysteine S-oxide C3H6NO3SR 400.1069 NA KEGG NA NA +MetaCyc03377 S-acetyl phosphopantetheine [[3-[2-(2-acetylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy- 2,2-dimethyl-propoxy]phosphonic acid;] C13H25N2O8P1S1 400.106923 NA metacyc NA NA +MJ054724 3,3'-Bis(1,1'-dimethyl-2,2'-dioxo-4,4'-dimethoxy-5,5'-dihydroxy-5,5'-dimethoxycarbonyl-3-pyrroline) C16H20N2O10 400.111794 NA MeJP NA NA +MJ054725 Catecholamic acid C16H20N2O10 400.111794 NA MeJP NA NA +C03502 Flavonol 3-O-D-galactoside C21H20O8 400.1158 NA KEGG NA NA +C03946 Flavonol 3-O-beta-D-glucoside C21H20O8 400.1158 NA KEGG NA NA +C04074 Isoflavone 7-O-beta-D-glucoside C21H20O8 400.1158 NA KEGG NA NA +C10553 4'-Demethylpodophyllotoxin C21H20O8 400.1158 NA KEGG NA NA +C10729 alpha-Peltatin C21H20O8 400.1158 NA KEGG NA NA +C14963 2-[4-(Acetyloxy)phenyl]-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one C21H20O8 400.1158 NA KEGG NA NA +C15555 Flavonol 3-O-D-glycoside C21H20O8 400.1158 NA KEGG NA NA +FL3FAACS0009 Torosaflavone A C21H20O8 400.11581 124961-70-2 knapsack NA NA +FL4DFANI0001 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-angelate C21H20O8 400.11581 111514-45-5 knapsack NA NA +FL5FFANS0022 Herbacetin 7,4'-dimethyl ether 8-butyrate C21H20O8 400.11581 69306-85-0 knapsack NA NA +FL5FGANS0011 Thymusin 6-isobutyrate;5,6,4'-Trihydroxy-7,8-dimethoxy flavone 6-isobutyrate;5-Hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4-oxo-4H-1-benzopyran-6-yl ester 2-methyl-propanoic acid C21H20O8 400.11581 264608-83-5 knapsack NA NA +FLIE1CNI0003 Mirificoumestan glycol C21H20O8 400.11581 114865-43-9 knapsack NA NA +FLIFWYNS0003 Stemonacetal C21H20O8 400.11581 54357-81-2 knapsack NA NA +MJ054726 2',4',5,5',7-Pentahydroxy-3'-prenylisoflavone; 4''-Hydroxy, 5'-Me ether C21H20O8 400.115817 NA MeJP NA NA +MJ054727 3,4',5,7,8-Pentahydroxyflavanone, 3-(Z-2-Methyl-2-butenoyl), 8-Me ether C21H20O8 400.115817 NA MeJP NA NA +MJ054728 3,4',5,7,8-Pentahydroxyflavone; 4',7-Di-Me ether, 8-O-butanoyl C21H20O8 400.115817 NA MeJP NA NA +MJ054729 3,8,9-Trihydroxy-7-prenylcoumestan; 8-Me ether, 2',3'-dihydro, 2',3'-dihydroxy C21H20O8 400.115817 NA MeJP NA NA +MJ054730 3-(3-Hydroxyphenyl)-1H-2-benzopyran-1-one; O-?-D-Glucopyranoside C21H20O8 400.115817 NA MeJP NA NA +MJ054731 4',5,6,7,8-Pentahydroxyflavone; 7,8-Di-Me ether, 6-O-(2-methylpropanoyl) C21H20O8 400.115817 NA MeJP NA NA +MJ054732 4',6-Dihydroxyflavone; 4'-Me ether, 6-O-?-L-arabinopyranoside C21H20O8 400.115817 NA MeJP NA NA +MJ054733 4',7-Dihydroxyflavone; 4'-O-?-L-Rhamnopyranoside C21H20O8 400.115817 NA MeJP NA NA +MJ054734 4',7-Dihydroxyisoflavone; 7-O-?-L-Rhamnopyranoside C21H20O8 400.115817 NA MeJP NA NA +MJ054735 4'-Demethylpodophyllotoxin C21H20O8 400.115817 NA MeJP NA NA +MJ054736 5,7-Dihydroxyflavone; 7-O-?-L-Rhamnopyranoside C21H20O8 400.115817 NA MeJP NA NA +MJ054737 5-Hydroxyflavone; O-?-D-Glucopyranoside C21H20O8 400.115817 NA MeJP NA NA +MJ054738 7-Hydroxyflavone; O-?-D-Glucopyranoside C21H20O8 400.115817 NA MeJP NA NA +MJ054739 ?-Peltatin C21H20O8 400.115817 NA MeJP NA NA +MJ054740 Arboreol; 7-Me ether C21H20O8 400.115817 NA MeJP NA NA +MJ054741 Cleomiscosin A; 5'-Methoxy, 1''-deoxy C21H20O8 400.115817 NA MeJP NA NA +MJ054742 Conioselin C21H20O8 400.115817 NA MeJP NA NA +MJ054743 Duborimycin; Aglycone C21H20O8 400.115817 NA MeJP NA NA +MJ054744 Hormothamnione C21H20O8 400.115817 NA MeJP NA NA +MJ054745 Indicolactone; 2',3'-Dihydro, 2',3'-dihydroxy C21H20O8 400.115817 NA MeJP NA NA +MJ054746 Piscerisoflavone A C21H20O8 400.115817 NA MeJP NA NA +MJ054747 Piscerisoflavone B C21H20O8 400.115817 NA MeJP NA NA +MJ054748 Piscerisoflavone C C21H20O8 400.115817 NA MeJP NA NA +MJ054749 Piscerisoflavone D C21H20O8 400.115817 NA MeJP NA NA +MJ054750 Piscerythrol C21H20O8 400.115817 NA MeJP NA NA +MJ054751 Piscidanone; 7,8-Dihydro, 8?-hydroxy C21H20O8 400.115817 NA MeJP NA NA +MJ054752 Podophyllotoxin; 3'-O-De-Me C21H20O8 400.115817 NA MeJP NA NA +MJ054753 Psorospermindiol; 4'-O-Ac C21H20O8 400.115817 NA MeJP NA NA +MJ054754 Stemonal; 6-Et ether C21H20O8 400.115817 NA MeJP NA NA +MJ054755 Torosaflavone A C21H20O8 400.115817 NA MeJP NA NA +MJ054756 ?-Peltatin C21H20O8 400.115817 NA MeJP NA NA +FL2F1ANN0002 Lophirone J;(S)-2,3-Dihydro-7-methoxy-2-[2-(4-methoxyphenyl)-5-benzofuranyl]-4H-1-benzopyran-4-one C25H20O5 400.13107 155548-32-6 knapsack NA NA +MJ054757 Interruptin B; 2',3'-Dihydro C25H20O5 400.131073 NA MeJP NA NA +MJ054758 Lophirone I; Di-Me ether C25H20O5 400.131073 NA MeJP NA NA +MJ054759 Ohioensin C; 1,3-Di-Me ether C25H20O5 400.131073 NA MeJP NA NA +MJ054760 Fandofloxacin C20H18F2N4O3 400.134696 NA MeJP NA NA +MJ054761 1-O-Coumaroylglycerol, 3-O-?-D-Glucopyranoside C18H24O10 400.136946 NA MeJP NA NA +MJ054762 1-O-Coumaroylglycerol, 2-O-?-D-Glucopyranoside C18H24O10 400.136946 NA MeJP NA NA +MJ054763 1-O-Coumaroylglycerol, 3-O-?-D-Glucopyranoside C18H24O10 400.136946 NA MeJP NA NA +MJ054764 2-O-Coumaroylglycerol, 1-O-?-D-Glucopyranoside C18H24O10 400.136946 NA MeJP NA NA +MJ054765 Sweroside; 3'-Ac C18H24O10 400.136946 NA MeJP NA NA +MJ054766 Synargentolide D; 5-Ac C18H24O10 400.136946 NA MeJP NA NA +MJ054767 Synargentolide E C18H24O10 400.136946 NA MeJP NA NA +MJ054768 Clopenthixol C22H25ClN2OS 400.137611 NA MeJP NA NA +MJ054769 Repinotan C21H24N2O4S 400.145677 NA MeJP NA NA +C10557 Dihydroanhydropodorhizol C22H24O7 400.1522 NA KEGG NA NA +FL1CG9NI0002 Melafolone C22H24O7 400.1522 129724-42-1 knapsack NA NA +FL1CG9NI0003 Valafolone C22H24O7 400.1522 129724-41-0 knapsack NA NA +FL2F19GM0001 7-Hydroxy-6,8-di-C-methylflavanone 7-O-arabinoside C22H24O7 400.1522 115219-89-1 knapsack NA NA +FL2FALNI0015 Kenusanone E C22H24O7 400.1522 144161-82-0 knapsack NA NA +FL4DCDNI0001 Scariosin C22H24O7 400.1522 143557-94-2 knapsack NA NA +FL4DCDNI0002 (2R,3R)-3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone C22H24O7 400.1522 213910-83-9 knapsack NA NA +FL4DCENI0001 Isotirumalin C22H24O7 400.1522 119736-72-0 knapsack NA NA +FL4DCENI0002 Tirumalin C22H24O7 400.1522 74514-46-8 knapsack NA NA +FL5FABNI0003 Brevicornin;3,5,7-Trihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C22H24O7 400.1522 173792-49-9 knapsack NA NA +FLIBHXNI0002 (+)-Echinoisoflavanone C22H24O7 400.1522 125300-49-4 knapsack NA NA +MJ054770 15,16-Epoxy-10-hydroxy-2,13(16),14-clerodatrien-17,12:18,19-diolide, Ac C22H24O7 400.152203 NA MeJP NA NA +MJ054771 15,16-Epoxy-11-hydroxy-2,13(16),14-clerodatriene-17,12:18,19-diolide, Ac C22H24O7 400.152203 NA MeJP NA NA +MJ054772 15,16-Epoxy-3,13(16),14-clerodatriene-17,12:18,19-diolide, 1?-Acetoxy C22H24O7 400.152203 NA MeJP NA NA +MJ054773 15,16-Epoxy-3,13(16),14-clerodatriene-18,19:20,12-diolide, 7?-Acetoxy C22H24O7 400.152203 NA MeJP NA NA +MJ054774 15,16-Epoxy-6-hydroxy-2,13(16),14-clerodatriene-17,12:18,19-diolide, Ac C22H24O7 400.152203 NA MeJP NA NA +MJ054775 2',3',4',5',6'-Pentahydroxychalcone; 2,5-Di-Me ether, 3-(2-methylbutanoyl) C22H24O7 400.152203 NA MeJP NA NA +MJ054776 2',3',4',5',6'-Pentahydroxychalcone; 2,5-Di-Me ether, 3-(3-methylbutanoyl) C22H24O7 400.152203 NA MeJP NA NA +MJ054777 2',3',4',5,7-Pentahydroxy-6-prenylisoflavanone; 2',4'-Di-Me ether C22H24O7 400.152203 NA MeJP NA NA +MJ054778 2',3,4',5,7-Pentahydroxy-3'-prenylisoflavanone; 2',4'-Di-Me ether C22H24O7 400.152203 NA MeJP NA NA +MJ054779 2',4',5,6',7-Pentahydroxy-8-prenylflavanone, 4',7-Di-Me ether C22H24O7 400.152203 NA MeJP NA NA +MJ054780 2',4',5,7-Tetrahydroxy-8-prenylflavanone, 2',4'-Di-Me ether, 2'',3''-epoxide C22H24O7 400.152203 NA MeJP NA NA +MJ054781 2,3-Dihydro-5,7-dimethoxy-3-methyl-2-(3,4-methylenedioxyphenyl)-6-(2-propenyloxy)benzofuran; 5-Methoxy C22H24O7 400.152203 NA MeJP NA NA +MJ054782 3,3',4',5,7-Pentahydroxy-6-prenylflavanone, 3',7-Di-Me ether C22H24O7 400.152203 NA MeJP NA NA +MJ054783 3,3',4',5,7-Pentahydroxy-6-prenylflavanone, 4',7-Di-Me ether C22H24O7 400.152203 NA MeJP NA NA +MJ054784 3,3',4',5,7-Pentahydroxy-8-prenylflavanone, 3',7-Di-Me ether C22H24O7 400.152203 NA MeJP NA NA +MJ054785 3,3',4',5,7-Pentahydroxy-8-prenylflavanone, 4',7-Di-Me ether C22H24O7 400.152203 NA MeJP NA NA +MJ054786 3,3',4,4',5'-Pentahydroxylignan-9,9'-olide, 3,4-Methylene ether, 3',4',5'-tri-Me ether C22H24O7 400.152203 NA MeJP NA NA +MJ054787 3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3',4'-Methylene, 3,4,5-tri-Me ether C22H24O7 400.152203 NA MeJP NA NA +MJ054788 3,3',4,4',9,9'-Hexahydroxylignan, 3,4:3',4'-Bis(methylene) ether, 9-Ac C22H24O7 400.152203 NA MeJP NA NA +MJ054789 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,4-Methylene, 3'-Me ether, 9-Ac C22H24O7 400.152203 NA MeJP NA NA +MJ054790 3,4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavone; 3'',4'-Di-Me ether C22H24O7 400.152203 NA MeJP NA NA +MJ054791 3,6:7,8-Diepoxy-13-hydroxy-18-oxo-3,5,11,15-cembratetraen-20,10-olide, Ac C22H24O7 400.152203 NA MeJP NA NA +MJ054792 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(3-Furancarbonyl), 3-Ac C22H24O7 400.152203 NA MeJP NA NA +MJ054793 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 9'-Ac C22H24O7 400.152203 NA MeJP NA NA +MJ054794 5'-(1,1-Dimethyl-2-propenyl)-2',3',4',5,7-pentahydroxyisoflavanone, 2',4'-Di-Me ether C22H24O7 400.152203 NA MeJP NA NA +MJ054795 7-Hydroxy-6,8-dimethylflavanone, 7-O-?-L-Arabinopyranoside C22H24O7 400.152203 NA MeJP NA NA +MJ054796 Aschantin C22H24O7 400.152203 NA MeJP NA NA +MJ054797 Chrysophyllon IA C22H24O7 400.152203 NA MeJP NA NA +MJ054798 Chrysophyllon IIA C22H24O7 400.152203 NA MeJP NA NA +MJ054799 Chrysophyllon IIIA C22H24O7 400.152203 NA MeJP NA NA +MJ054800 Cluytene C C22H24O7 400.152203 NA MeJP NA NA +MJ054801 Eupomatilone 4; 5''-Demethoxy C22H24O7 400.152203 NA MeJP NA NA +MJ054802 Eupomatilone 6 C22H24O7 400.152203 NA MeJP NA NA +MJ054803 Eusiderin M; 9-Aldehyde C22H24O7 400.152203 NA MeJP NA NA +MJ054804 Falconensin A; Bis(dechloro), 4''-O-de-Me C22H24O7 400.152203 NA MeJP NA NA +MJ054805 Furaquinocin G C22H24O7 400.152203 NA MeJP NA NA +MJ054806 Gomisin R C22H24O7 400.152203 NA MeJP NA NA +MJ054807 Grayanic acid; O-De-Me C22H24O7 400.152203 NA MeJP NA NA +MJ054808 Hexademethylpyrimidatin A; Atropisomer, 4,5-methylene, 3,4',5'-tri-Me ether C22H24O7 400.152203 NA MeJP NA NA +MJ054809 Isochiliolide lactone; 8,17-Didehydro, 7?-acetoxy C22H24O7 400.152203 NA MeJP NA NA +MJ054810 Italipyrone C22H24O7 400.152203 NA MeJP NA NA +MJ054811 Kadsulignan K C22H24O7 400.152203 NA MeJP NA NA +MJ054812 Machilin E C22H24O7 400.152203 NA MeJP NA NA +MJ054813 Neokadsuranin; Atropisomer, 5-O-de-Me C22H24O7 400.152203 NA MeJP NA NA +MJ054814 Nodifloridin A C22H24O7 400.152203 NA MeJP NA NA +MJ054815 Oxokadsurane C22H24O7 400.152203 NA MeJP NA NA +MJ054816 Plectranthone J C22H24O7 400.152203 NA MeJP NA NA +MJ054817 Richardianidin 1 C22H24O7 400.152203 NA MeJP NA NA +MJ054818 Salvianduline C C22H24O7 400.152203 NA MeJP NA NA +MJ054819 Salvimexicanolide C22H24O7 400.152203 NA MeJP NA NA +MJ054820 Salvisousolide C22H24O7 400.152203 NA MeJP NA NA +MJ054821 Schizanlignaol D C22H24O7 400.152203 NA MeJP NA NA +MJ054822 Tonalenin C22H24O7 400.152203 NA MeJP NA NA +PJ000904 NMH C15H24N6O5S 400.1529 NA PeJP NA NA +MJ054823 Oxopropaline D, 2'-Deoxy, 3'-O-?-L-rhamnopyranoside C21H24N2O6 400.163436 NA MeJP NA NA +MJ054824 Oxyprothepin C22H28N2OS2 400.164304 NA MeJP NA NA +MJ054825 3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-(3-Chloro-2-hydroxy-2-methylbutanoyl) C20H29ClO6 400.165266 NA MeJP NA NA +3697 NA YPFGFNG 400.16795 MH2+ Inhouse_peptide NA peptide +PJ000905 GSTH C15H24N6O7 400.1707 NA PeJP NA NA +MJ054826 6,10-Dihydroxy-4,7-megastigmadiene-3,9-dione, 10-O-?-D-Glucopyranoside C19H28O9 400.173332 NA MeJP NA NA +MJ054827 6,11-Dihydroxy-2,8-undecadienoic acid, 1,11-Lactone, 6-O-(6-O-acetyl-?-D-glucopyranoside) C19H28O9 400.173332 NA MeJP NA NA +MJ054828 Sinapyl alcohol, 1-Et ether, 4'-O-?-D-glucopyranoside C19H28O9 400.173332 NA MeJP NA NA +MJ054829 Suspensolide A; Aglycone C19H28O9 400.173332 NA MeJP NA NA +PJ000906 GPPM C17H28N4O5S 400.1781 NA PeJP NA NA +MJ054830 Naloxyindole C25H24N2O3 400.178692 NA MeJP NA NA +MJ054831 2,14-Dihydroxycacalol; 2?-form, 14-(3-Methyl-2-butenoyl), 9-propanoyl C23H28O6 400.188588 NA MeJP NA NA +MJ054832 2,14-Dihydroxycacalol; 2?-form, 14-Angeloyl, 9-propanoyl C23H28O6 400.188588 NA MeJP NA NA +MJ054833 2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide, 2-Ketone C23H28O6 400.188588 NA MeJP NA NA +MJ054834 3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',4'-Methylene, 4,5,9,9'-tetra-Me ether C23H28O6 400.188588 NA MeJP NA NA +MJ054835 3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 4,5-Methylene, 3',4',9,9'-tetra-Me ether C23H28O6 400.188588 NA MeJP NA NA +MJ054836 3,3',4,4',9-Pentahydroxy-9,9'-epoxylignan, 3',4'-Methylene, 9-Et, 3,4-di-Me ether C23H28O6 400.188588 NA MeJP NA NA +MJ054837 3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 3-Angeloyl, 6-propanoyl C23H28O6 400.188588 NA MeJP NA NA +MJ054838 3,6-Dihydroxyfuranoeremophilan-9-one, 3,6-Bis(2-methyl-2-propenoyl) C23H28O6 400.188588 NA MeJP NA NA +MJ054839 4-(3,4-Dimethoxyphenyl)-4-(3,4-methylenedioxyphenyl)-2,3-dimethyl-1-butanol; Ac C23H28O6 400.188588 NA MeJP NA NA +MJ054840 5,6-Dihydroxy-7-protoilluden-14-al, 5-(2,4-Dihydroxy-6-methylbenzoyl) C23H28O6 400.188588 NA MeJP NA NA +MJ054841 5,9-Dihydroxy-7-protoilluden-14-al, 5-(2,4-Dihydroxy-6-methylbenzoyl) C23H28O6 400.188588 NA MeJP NA NA +MJ054842 ?-Schizandrin C23H28O6 400.188588 NA MeJP NA NA +MJ054843 Bisabosqual A; 13-Hydroxy C23H28O6 400.188588 NA MeJP NA NA +MJ054844 Enprostil C23H28O6 400.188588 NA MeJP NA NA +MJ054845 Gibbestatin A C23H28O6 400.188588 NA MeJP NA NA +MJ054846 Gomisin N C23H28O6 400.188588 NA MeJP NA NA +MJ054847 Hancinone B; Me ether, 5'-methoxy C23H28O6 400.188588 NA MeJP NA NA +MJ054848 Harzianum A C23H28O6 400.188588 NA MeJP NA NA +MJ054849 Kadsuranin C23H28O6 400.188588 NA MeJP NA NA +MJ054850 Kadsurenin I; Ac C23H28O6 400.188588 NA MeJP NA NA +MJ054851 Kadsurenin I; Stereoisomer, Ac C23H28O6 400.188588 NA MeJP NA NA +MJ054852 Moslolignan A C23H28O6 400.188588 NA MeJP NA NA +MJ054853 Piperulin A C23H28O6 400.188588 NA MeJP NA NA +MJ054854 Prednisone; 21-Ac C23H28O6 400.188588 NA MeJP NA NA +MJ054855 Rubschisandrin C23H28O6 400.188588 NA MeJP NA NA +C10555 Deoxygomisin A C23H28O6 400.1886 NA KEGG NA NA +C10621 Gomisin L1 methyl ether C23H28O6 400.1886 NA KEGG NA NA +C14668 Cortancyl C23H28O6 400.1886 NA KEGG NA NA +MJ054856 16-Hydroxy-7-isopimaren-19-oic acid; 16-Sulfate C20H32O6S 400.191959 NA MeJP NA NA +PJ000907 GPVE C17H28N4O7 400.1958 NA PeJP NA NA +MJ054857 Isofloxythepin C23H29FN2OS 400.198462 NA MeJP NA NA +8051 synthetic peptide PWV 400.199 antioxidative Inhouse_peptide NA peptide +8188 peptide from buckwheat VPW 400.199 Dipeptides ;SYN:Beta-Alanyl-L-histidine; Carnosine; Ignotine; Karnozin; Karnozzn; L-Carnosine; N-(3-Aminopropanoyl)histidine; N-(b-Alanyl)-L-histidine; N-b-alanyl-L-Histidine; N-beta-alanyl-L-Histidine; b-Alanyl-L-histidine; b-Alanylhistidine; beta-Alanylhistidine; SevitinH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +C04318 11-O-Demethyl-17-O-deacetylvindoline C22H28N2O5 400.1998 NA KEGG NA NA +MJ054858 20-Hydroxycylindrocarineyl C22H28N2O5 400.199822 NA MeJP NA NA +MJ054859 Adirubine C22H28N2O5 400.199822 NA MeJP NA NA +MJ054860 Alstozine; N-Oxide C22H28N2O5 400.199822 NA MeJP NA NA +MJ054861 Eglandine; 10-Methoxy, N-oxide C22H28N2O5 400.199822 NA MeJP NA NA +MJ054862 Mycelianamide C22H28N2O5 400.199822 NA MeJP NA NA +MJ054863 Rauvolcinine C22H28N2O5 400.199822 NA MeJP NA NA +MJ054864 Reserpic acid C22H28N2O5 400.199822 NA MeJP NA NA +MJ054865 Rhyncophylline, 7-Epimer, N-oxide C22H28N2O5 400.199822 NA MeJP NA NA +MJ054866 Rhyncophylline, N-Oxide C22H28N2O5 400.199822 NA MeJP NA NA +MJ054867 Rotundifoline C22H28N2O5 400.199822 NA MeJP NA NA +MJ054868 Speciofoline C22H28N2O5 400.199822 NA MeJP NA NA +MJ054869 Strychnosplendine; 12-Hydroxy, 11-methoxy, N1-Ac C22H28N2O5 400.199822 NA MeJP NA NA +MJ054870 Tabernoxidine C22H28N2O5 400.199822 NA MeJP NA NA +MJ054871 Tetraphyllinine C22H28N2O5 400.199822 NA MeJP NA NA +MJ054872 Venenatine; Nb-Oxide C22H28N2O5 400.199822 NA MeJP NA NA +MJ054873 Voacristine hydroxyindolenine C22H28N2O5 400.199822 NA MeJP NA NA +MJ054874 Voaluteine; 10-Demethoxy, 11-methoxy, 19R-hydroxy C22H28N2O5 400.199822 NA MeJP NA NA +MJ054875 Voaluteine; 19S-Hydroxy C22H28N2O5 400.199822 NA MeJP NA NA +MetaCyc03378 11-O-demethyl-17-O-deacetylvindoline [] C22H28N2O5 400.199822 NA metacyc NA NA +MJ054876 4-Ethyl-2-propyl-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid; 5-Aldehyde C23H24N6O 400.201159 NA MeJP NA NA +MJ054877 Diabroticin A C16H28N6O6 400.207032 NA MeJP NA NA +PJ000908 PER C16H28N6O6 400.2071 NA PeJP NA NA +MJ054878 2,3-Epoxy-5,6,7,9,10,14,16-grayanotoxaneheptol C20H32O8 400.209718 NA MeJP NA NA +MJ054879 3,4,11-Trihydroxy-6-eudesmen-8-one, 11-Hydroperoxide, 3-(2,3-dihydroxy-2-methylbutanoyl) C20H32O8 400.209718 NA MeJP NA NA +MJ054880 7-Methyl-3-methylene-6-octen-1-ol; O-(2,6-Di-O-acetyl-?-D-glucopyranoside) C20H32O8 400.209718 NA MeJP NA NA +MJ054881 Cinnzeylanol; 19-Hydroxy C20H32O8 400.209718 NA MeJP NA NA +MJ054882 Ryanodol C20H32O8 400.209718 NA MeJP NA NA +PJ000909 PVW C21H28N4O4 400.2111 NA PeJP NA NA +MJ054883 Tiocarlide C23H32N2O2S 400.218448 NA MeJP NA NA +MJ054884 1(10),4-Germacradiene-6,8-diol, 8-(4-Hydroxybenzoyl), 6-Ac C24H32O5 400.224974 NA MeJP NA NA +MJ054885 1,9-Dihydroxydihydro-?-agarofuran, 9-Benzoyl, 1-Ac C24H32O5 400.224974 NA MeJP NA NA +MJ054886 11,14-Dihydroxy-3-oxobufa-20,22-dienolide C24H32O5 400.224974 NA MeJP NA NA +MJ054887 11,17-Dihydroxypregna-1,4-diene-3,20-dione, 17-Propanoyl C24H32O5 400.224974 NA MeJP NA NA +MJ054888 14(17)-Vouacapene-6,7-diol, Di-Ac C24H32O5 400.224974 NA MeJP NA NA +MJ054889 14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide C24H32O5 400.224974 NA MeJP NA NA +MJ054890 14,15:20,21-Diepoxy-3-hydroxybuf-22-enolide C24H32O5 400.224974 NA MeJP NA NA +MJ054891 14,16-Epoxy-6-hydroxy-17-oxo-7,13(16),14-labdatrien-17,12-olide, 2-Methylpropanoyl C24H32O5 400.224974 NA MeJP NA NA +MJ054892 2,4-Dihydroxy-6-pentylbenzoic acid; 4-Me ether, 3-hydroxy-5-pentylphenyl ester C24H32O5 400.224974 NA MeJP NA NA +MJ054893 2,6-Humuladiene-1,4-diol, 4-(4-Hydroxybenzoyl), 1-Ac C24H32O5 400.224974 NA MeJP NA NA +MJ054894 22-Deacetylyanuthone A; 15-Ketone, 22-Ac C24H32O5 400.224974 NA MeJP NA NA +MJ054895 3,12,14-Trihydroxybufa-4,20,22-trienolide C24H32O5 400.224974 NA MeJP NA NA +MJ054896 3,14-Dihydroxy-19-oxobufa-20,22-dienolide C24H32O5 400.224974 NA MeJP NA NA +MJ054897 3,7,12-Trihydroxy-1,9,11(13)-eremophilatrien-8-one, 3-O-(6S-Methyl-2E,4E-octadienoyl) C24H32O5 400.224974 NA MeJP NA NA +MJ054898 3,8,14-Trihydroxybufa-4,20,22-trienolide C24H32O5 400.224974 NA MeJP NA NA +MJ054899 3-(2,4-Dihydroxybenzoyl)-5-(4,8-dimethyl-3,7-nonadienyl)-4,5-dimethyltetrahydro-2-furanone C24H32O5 400.224974 NA MeJP NA NA +MJ054900 3-Hydroperoxy-4(15)-eudesmene-1,6-diol, 6-Cinnamoyl C24H32O5 400.224974 NA MeJP NA NA +MJ054901 3-Hydroperoxy-4-eudesmene-1,6-diol, 6-Cinnamoyl C24H32O5 400.224974 NA MeJP NA NA +MJ054902 4(15)-Eudesmene-1,2,6-triol, 6-Benzoyl, 2-Ac C24H32O5 400.224974 NA MeJP NA NA +MJ054903 4,5-Epoxy-1(10)-germacrene-6,8-diol, 1?,10?-Epoxide, 8-cinnamoyl C24H32O5 400.224974 NA MeJP NA NA +MJ054904 4-Hydroperoxy-2-eudesmene-1,6-diol, 6-Cinnamoyl C24H32O5 400.224974 NA MeJP NA NA +MJ054905 7-Hydroperoxy-8-eudesmene-1,4-diol, 4-Cinnamoyl C24H32O5 400.224974 NA MeJP NA NA +MJ054906 7-Hydroxy-2H-1-benzopyran-2-one; Glycoside C24H32O5 400.224974 NA MeJP NA NA +MJ054907 8,10-Dihydroxy-3-longipinen-5-one, 10-Angeloyl, 8-(2-methylpropenoyl) C24H32O5 400.224974 NA MeJP NA NA +MJ054908 8,10-Dihydroxy-3-longipinen-5-one, 10-O-(3-Methyl-2-butenoyl), 8-O-(2-methylpropenoyl) C24H32O5 400.224974 NA MeJP NA NA +MJ054909 8,10-Dihydroxy-3-longipinen-5-one, 10-Tigloyl, 8-O-(2-methylpropenyl) C24H32O5 400.224974 NA MeJP NA NA +MJ054910 8,10-Dihydroxy-3-longipinen-5-one, 8-Angeloyl, 10-O-(2-methylpropenoyl) C24H32O5 400.224974 NA MeJP NA NA +MJ054911 8,10-Dihydroxy-3-longipinen-5-one, 8-Tigloyl, 10-O-(2-methylpropenoyl) C24H32O5 400.224974 NA MeJP NA NA +MJ054912 8,14-Thapsanediol, 8-(4-Hydroxycinnamoyl) C24H32O5 400.224974 NA MeJP NA NA +MJ054913 8-Daucene-2,4,6-triol, 6-Benzoyl, 2-Ac C24H32O5 400.224974 NA MeJP NA NA +MJ054914 Antibiotic FR 182877 C24H32O5 400.224974 NA MeJP NA NA +MJ054915 Asperugin C24H32O5 400.224974 NA MeJP NA NA +MJ054916 Bufogenin; 20,21-Epoxide C24H32O5 400.224974 NA MeJP NA NA +MJ054917 Furanoeremophilane-3,6-diol, 3-(2-Methylpropenoyl), 6-(3-methyl-2-butenoyl) C24H32O5 400.224974 NA MeJP NA NA +MJ054918 Furanoeremophilane-3,6-diol, 3-(2-Methylpropenoyl), 6-tigloyl C24H32O5 400.224974 NA MeJP NA NA +MJ054919 Furanoeremophilane-3,6-diol, 3-(3-Methyl-2-butenoyl), 6-(2-methylpropenoyl) C24H32O5 400.224974 NA MeJP NA NA +MJ054920 Furanoeremophilane-3,6-diol, 3-Angeloyl, 6-(2-methylpropenoyl) C24H32O5 400.224974 NA MeJP NA NA +MJ054921 Hexanorcucurbitacin F; 2,3-Diketone C24H32O5 400.224974 NA MeJP NA NA +MJ054922 Karatavicinol C24H32O5 400.224974 NA MeJP NA NA +MJ054923 Kopeolin C24H32O5 400.224974 NA MeJP NA NA +MJ054924 Lucidone A; 3-Ketone C24H32O5 400.224974 NA MeJP NA NA +MJ054925 Macrolactin A; 15-Ketone C24H32O5 400.224974 NA MeJP NA NA +MJ054926 Mammea C/BB C24H32O5 400.224974 NA MeJP NA NA +MJ054927 Marinobufagin C24H32O5 400.224974 NA MeJP NA NA +MJ054928 Mexrenoic acid; ?-Lactone C24H32O5 400.224974 NA MeJP NA NA +MJ054929 O-(3,8-Dihydroxydriman-11-yl)umbelliferone C24H32O5 400.224974 NA MeJP NA NA +MJ054930 Rietone; 8'-Deoxy C24H32O5 400.224974 NA MeJP NA NA +C02202 Z-Phe-Phe-CHN2 C25H28N4O 400.2263 NA KEGG NA NA +MJ054931 5-(13-Methyltetradecyl)-1,3-benzenediol; Mono-O-sulfate C21H36O5S 400.228344 NA MeJP NA NA +MJ054932 5-Pentadecyl-1,3-benzenediol; Mono-O-sulfate C21H36O5S 400.228344 NA MeJP NA NA +PJ000910 APTL C18H32N4O6 400.2322 NA PeJP NA NA +MJ054933 Anomaline; O12-Me C23H32N2O4 400.236207 NA MeJP NA NA +MJ054934 Bernzamide C23H32N2O4 400.236207 NA MeJP NA NA +MJ054935 Limaspermine; 11-Methoxy C23H32N2O4 400.236207 NA MeJP NA NA +MJ054936 Nocloprost C22H37ClO4 400.238037 NA MeJP NA NA +MJ054937 1,4-Maalianediol, 1-O-?-D-Glucopyranoside C21H36O7 400.246103 NA MeJP NA NA +MJ054938 3-Eudesmene-1,6-diol, 6-O-?-D-Glucopyranoside C21H36O7 400.246103 NA MeJP NA NA +MJ054939 4(15)-Eudesmene-1,11-diol, 1-O-?-D-Glucopyranoside C21H36O7 400.246103 NA MeJP NA NA +MJ054940 4(15)-Eudesmene-2,11-diol; 2?-form, 11-O-?-D-Glucopyranoside C21H36O7 400.246103 NA MeJP NA NA +MJ054941 4-Cadinene-10,11-diol; 10?-form, 11-O-?-D-Glucopyranoside C21H36O7 400.246103 NA MeJP NA NA +MJ054942 7(11)-Eudesmene-1,4-diol, 1-O-?-D-Glucopyranoside C21H36O7 400.246103 NA MeJP NA NA +MJ054943 7(11)-Eudesmene-1,4-diol, 4-O-?-D-Glucopyranoside C21H36O7 400.246103 NA MeJP NA NA +MJ054944 Feigrisolide C C21H36O7 400.246103 NA MeJP NA NA +MJ054945 Phenazinomycin C27H32N2O 400.251463 NA MeJP NA NA +MJ054946 12-Hydroxy-16-kauren-19-oic acid, 12-Angeloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054947 13-Hydroxy-16-atisen-19-oic acid, Angeloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054948 15,16-Epoxy-12-cleistathen-11-one, 3?-Angelyl C25H36O4 400.261359 NA MeJP NA NA +MJ054949 15,16-Epoxy-7,13(16),14-clerodatriene-3,18-diol, 18-Angeloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054950 15,16-Epoxy-8(17),13(16),14-labdatriene-3,18-diol, 18-Angeloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054951 15,16-Epoxy-8(17),13(16),14-labdatriene-3,18-diol, 3-Angeloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054952 15-Beyerene-14,19-diol, 19-Carboxylic acid, 14-angeloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054953 15-Beyerene-14,19-diol, 19-Carboxylic acid, 14-tigloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054954 15-Hydroxy-16-kauren-19-oic acid, 3-Methyl-2-butenoyl C25H36O4 400.261359 NA MeJP NA NA +MJ054955 15-Hydroxy-16-kauren-19-oic acid, Angeloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054956 15-Hydroxy-16-kauren-19-oic acid, Tigloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054957 15-Hydroxy-16-kauren-19-oic acid, 3-Methyl-2-butenoyl C25H36O4 400.261359 NA MeJP NA NA +MJ054958 15-Hydroxy-16-kauren-19-oic acid, Angeloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054959 15-Hydroxy-16-kauren-19-oic acid, Tigloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054960 16-Kaurene-3,19-diol, 19-Aldehyde, 16?,17-epoxide, 3-angeloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054961 16-Kaurene-3,19-diol, 19-Carboxylic acid, 3-(3-methyl-2-butenoyl) C25H36O4 400.261359 NA MeJP NA NA +MJ054962 16-Kaurene-3,19-diol, 19-Carboxylic acid, 3-angeloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054963 16-Kaurene-3,19-diol, 19-Carboxylic acid, 3-tigloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054964 18-Hydroxy-16-kauren-19-oic acid; ent-form, 3-Methyl-2-butenoyl C25H36O4 400.261359 NA MeJP NA NA +MJ054965 18-Hydroxy-16-kauren-19-oic acid; ent-form, Angeloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054966 24-Methyl-25-nor-12,24-dioxo-16-scalaren-22-oic acid C25H36O4 400.261359 NA MeJP NA NA +MJ054967 3,14-Dihydroxy-15-beyeren-19-al; 14-Tigloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054968 3-Hydroxy-9(11),15-kauradien-19-oic acid, 3-Methylbutanoyl C25H36O4 400.261359 NA MeJP NA NA +MJ054969 4-Hydroxy-2-(13-phenyltridecanoyl)-1,3-cyclohexanedione C25H36O4 400.261359 NA MeJP NA NA +MJ054970 5-[13-(3-Furanyl)-2,6,10-trimethyl-3,5-tridecadienyl]-4-hydroxy-3-methyl-2(5H)-furanone C25H36O4 400.261359 NA MeJP NA NA +MJ054971 5-[13-(3-Furanyl)-2,6,10-trimethyl-6,8-tridecadienyl]-4-hydroxy-3-methyl-2(5H)-furanone C25H36O4 400.261359 NA MeJP NA NA +MJ054972 6-Hydroxy-3,13-clerodadien-15,16-olide, Angeloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054973 6-Hydroxy-3,13-clerodadien-15,16-olide, Tigloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054974 7-Hydroxy-16-atisen-19-oic acid, 7-Angeloyl C25H36O4 400.261359 NA MeJP NA NA +MJ054975 8-Hydroxy-5-oxo-3,6,18-ophiobolatrien-24-oic acid C25H36O4 400.261359 NA MeJP NA NA +MJ054976 Aeginetin C25H36O4 400.261359 NA MeJP NA NA +MJ054977 Cacospongionolide C25H36O4 400.261359 NA MeJP NA NA +MJ054978 Colupulone C25H36O4 400.261359 NA MeJP NA NA +MJ054979 Cyclocitrinol C25H36O4 400.261359 NA MeJP NA NA +MJ054980 Cyclolinteinol C25H36O4 400.261359 NA MeJP NA NA +MJ054981 Furospinulosin 1; 20-Carboxylic acid, 14,15-epoxide C25H36O4 400.261359 NA MeJP NA NA +MJ054982 Jaspiferal C; 13E-Isomer, 29-alcohol C25H36O4 400.261359 NA MeJP NA NA +MJ054983 Jaspiferal C; 29-Alcohol C25H36O4 400.261359 NA MeJP NA NA +MJ054984 Litophytolide A; Deacyl, Ac C25H36O4 400.261359 NA MeJP NA NA +MJ054985 Luffariellin A; 5-Deoxy C25H36O4 400.261359 NA MeJP NA NA +MJ054986 Luffariellin B; 5-Deoxy C25H36O4 400.261359 NA MeJP NA NA +MJ054987 Luffarin E C25H36O4 400.261359 NA MeJP NA NA +MJ054988 Luffarin K; 21-Aldehyde C25H36O4 400.261359 NA MeJP NA NA +MJ054989 Luffariolide D; 24-Ketone C25H36O4 400.261359 NA MeJP NA NA +MJ054990 Metachromin F C25H36O4 400.261359 NA MeJP NA NA +MJ054991 Neomanoalide, 24-Aldehyde C25H36O4 400.261359 NA MeJP NA NA +MJ054992 Okinonellin B C25H36O4 400.261359 NA MeJP NA NA +MJ054993 Ophiobolin A C25H36O4 400.261359 NA MeJP NA NA +MJ054994 Ophiobolin H; 21-Oxo C25H36O4 400.261359 NA MeJP NA NA +MJ054995 Ophiobolin I; 25-Hydroxy C25H36O4 400.261359 NA MeJP NA NA +MJ054996 Ophiobolin J C25H36O4 400.261359 NA MeJP NA NA +MJ054997 Pregna-1,20-diene-3,16-diol, Di-Ac C25H36O4 400.261359 NA MeJP NA NA +MetaCyc03379 colupulone [] C25H36O4 400.26136 NA metacyc NA NA +C09145 Ophiobolin A C25H36O4 400.2614 NA KEGG NA NA +C15280 16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone C25H36O4 400.2614 NA KEGG NA NA +PJ000911 GVLL C19H36N4O5 400.2686 NA PeJP NA NA +PJ000912 LLR C18H36N6O4 400.2798 NA PeJP NA NA +MJ054998 3,8-Dihexyl-4,9-dihydroxy-5,10-dimethyl-1,6-dioxecane-2,7-dione C22H40O6 400.282489 NA MeJP NA NA +MJ054999 Chalmicrin C22H40O6 400.282489 NA MeJP NA NA +C08157 Testosterone enanthate C26H40O3 400.2977 NA KEGG NA NA +C15283 17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate C26H40O3 400.2977 NA KEGG NA NA +MJ055000 12-Hydroxy-25-nor-16-scalaren-24-al; 12?-form, Ac C26H40O3 400.297745 NA MeJP NA NA +MJ055001 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Heptanoyl C26H40O3 400.297745 NA MeJP NA NA +MJ055002 3-Hydroxy-24,25,26,27-tetranorcycloartan-23,21-olide C26H40O3 400.297745 NA MeJP NA NA +MJ055003 3-Hydroxyandrost-5-en-17-one, 3-Heptanoyl C26H40O3 400.297745 NA MeJP NA NA +MJ055004 4-Oxo-19-phenyl-5-nonadecenoic acid, Me ester C26H40O3 400.297745 NA MeJP NA NA +MJ055005 5,8-Epidioxy-24-norcholesta-6,22-dien-3-ol C26H40O3 400.297745 NA MeJP NA NA +MJ055006 Mesabolone C26H40O3 400.297745 NA MeJP NA NA +HMDB05814 Testosterone enanthate C26H40O3 400.29776 http://www.hmdb.ca/metabolites/HMDB05814 HMDB NA NA +HMDB05814 Testosterone enanthate C26H40O3 400.29776 HMDB05814 PFEM_hmdb_metabocards_official NA NA +HMDB05814 Testosterone enanthate C26H40O3 400.29776 NA HMDB2010 NA NA +MetaCyc03380 1,2-didecanoylglycerol [] C23H44O5 400.318875 NA metacyc NA NA +C03199 1,2-Didecanoylglycerol C23H44O5 400.3189 NA KEGG NA NA +C03200 1,3-beta-D-Oligoglucan C12H22O10 400.3189 NA KEGG NA NA +C03201 1-Alkyl-2-acylglycerol C4H6O4R2 400.3189 NA KEGG NA NA +EUR002 25-hydroxyvitamin D C27H44O2 400.3341 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR002 25-hydroxyvitamin D C27H44O2 400.3341 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR002 25-hydroxyvitamin D C27H44O2 400.3341 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR002 25-hydroxyvitamin D C27H44O2 400.3341 Wishlist Inhousejuil11 NA NA +C01561 Calcidiol C27H44O2 400.3341 NA KEGG NA NA +C05455 7alpha-Hydroxycholest-4-en-3-one C27H44O2 400.3341 NA KEGG NA NA +C15632 24(S),25-Epoxycholesterol C27H44O2 400.3341 NA KEGG NA NA +EUR002 25-hydroxyvitamin D C27H44O2 400.33413 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR002 25-hydroxyvitamin D C27H44O2 400.33413 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR002 25-hydroxyvitamin D C27H44O2 400.33413 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR002 25-hydroxyvitamin D C27H44O2 400.33413 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR002 25-hydroxyvitamin D C27H44O2 400.33413 Wishlist HMDB NA NA +EUR002 25-hydroxyvitamin D C27H44O2 400.33413 Wishlist Inhouse_PFEM NA NA +MJ055007 1-Phenyl-1,3-heneicosanedione C27H44O2 400.33413 NA MeJP NA NA +MJ055008 2-(Methoxycarbonyl)-5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone; De(methoxycarbonyl) C27H44O2 400.33413 NA MeJP NA NA +MJ055009 20,29,30-Trinor-3,19-lupanediol, 19-Ketone C27H44O2 400.33413 NA MeJP NA NA +MJ055010 24,25-Epoxycholest-5-en-3-ol C27H44O2 400.33413 NA MeJP NA NA +MJ055011 24-Hydroxy-25,26,27-trinorcycloartan-3-one C27H44O2 400.33413 NA MeJP NA NA +MJ055012 25(24?22)-Abeocholesta-5,23-diene-3,22-diol C27H44O2 400.33413 NA MeJP NA NA +MJ055013 25,26,27-Trinordammaran-24,20-olide C27H44O2 400.33413 NA MeJP NA NA +MJ055014 26-Hydroxycholest-5-en-7-one C27H44O2 400.33413 NA MeJP NA NA +MJ055015 27-Norergosta-7,22-diene-3,6-diol C27H44O2 400.33413 NA MeJP NA NA +MJ055016 3-Hydroxy-25,26,27-trinorcycloartan-24-al C27H44O2 400.33413 NA MeJP NA NA +MJ055017 3-Hydroxycholest-5-en-24-one C27H44O2 400.33413 NA MeJP NA NA +MJ055018 3-Hydroxycholest-5-en-7-one C27H44O2 400.33413 NA MeJP NA NA +MJ055019 3-Hydroxycholest-7-en-6-one C27H44O2 400.33413 NA MeJP NA NA +MJ055020 3-Hydroxycholest-8(14)-en-15-one C27H44O2 400.33413 NA MeJP NA NA +MJ055021 4,8,13,17,21-Pentamethyl-4,8,12,16,20-docosapentaenoic acid C27H44O2 400.33413 NA MeJP NA NA +MJ055022 9,10-Secocholesta-5,7,10(19)-triene-1,3-diol C27H44O2 400.33413 NA MeJP NA NA +MJ055023 9,10-Secocholesta-5,7,10(19)-triene-3,25-diol C27H44O2 400.33413 NA MeJP NA NA +MJ055024 Cholesta-5,22-diene-3,21-diol C27H44O2 400.33413 NA MeJP NA NA +MJ055025 Cholesta-5,22-diene-3,7-diol C27H44O2 400.33413 NA MeJP NA NA +MJ055026 Cholesta-5,23-diene-3,24-diol C27H44O2 400.33413 NA MeJP NA NA +MJ055027 Cholesta-5,23-diene-3,25-diol C27H44O2 400.33413 NA MeJP NA NA +MJ055028 Cholesta-5,25-diene-3,24-diol C27H44O2 400.33413 NA MeJP NA NA +MJ055029 Cholesta-7,22-diene-3,6-diol C27H44O2 400.33413 NA MeJP NA NA +MJ055030 Cholesta-7,24-diene-3,6-diol C27H44O2 400.33413 NA MeJP NA NA +MJ055031 Cholesta-8(14),22-diene-3,7-diol C27H44O2 400.33413 NA MeJP NA NA +MJ055032 Cholesta-8(14),24-diene-3,6-diol C27H44O2 400.33413 NA MeJP NA NA +MJ055033 Cholesta-8,14-diene-3,6-diol C27H44O2 400.33413 NA MeJP NA NA +MJ055034 Cholestane-3,24-dione C27H44O2 400.33413 NA MeJP NA NA +MJ055035 Cholestane-3,6-dione; 5?-form C27H44O2 400.33413 NA MeJP NA NA +MJ055036 Gefarnate C27H44O2 400.33413 NA MeJP NA NA +MJ055037 strogorgiadiol C27H44O2 400.33413 NA MeJP NA NA +MJ055038 7alpha-Hydroxycholest-4-en-3-one C27H44O2 400.33413 NA MeJP NA NA +MJ055039 Calcidiol C27H44O2 400.33413 NA MeJP NA NA +EUR002 25-hydroxyvitamin D C27H44O2 400.33413 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR002 25-hydroxyvitamin D C27H44O2 400.33413 Wishlist PFEM_hmdb_metabocards_official NA NA +MetaCyc03381 calcidiol [25-hydroxyvitamin D3;calcifediol;calcifediol anhydrous;calderol (tn);] C27H44O2 400.334131 19356-17-3 metacyc NA NA +MetaCyc03382 7α-hydroxycholest-4-en-3-one [] C27H44O2 400.334131 NA metacyc NA NA +HMDB00501 7-Ketocholesterol C27H44O2 400.334137 NA HMDB2010 NA NA +HMDB01993 7a-Hydroxy-cholestene-3-one C27H44O2 400.334137 NA HMDB2010 NA NA +HMDB03550 Calcidiol C27H44O2 400.334137 NA HMDB2010 NA NA +HMDB06721 5,6-trans-25-Hydroxyvitamin D3 C27H44O2 400.334137 NA HMDB2010 NA NA +HMDB06722 25-Hydroxytachysterol3 C27H44O2 400.334137 NA HMDB2010 NA NA +HMDB00501 7-Ketocholesterol C27H44O2 400.33414 http://www.hmdb.ca/metabolites/HMDB00501 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01993 7a-Hydroxy-cholestene-3-one C27H44O2 400.33414 http://www.hmdb.ca/metabolites/HMDB01993 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03550 Calcidiol C27H44O2 400.33414 http://www.hmdb.ca/metabolites/HMDB03550 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00501 7-Ketocholesterol C27H44O2 400.33414 http://www.hmdb.ca/metabolites/HMDB00501 HMDB NA NA +HMDB01993 7a-Hydroxy-cholestene-3-one C27H44O2 400.33414 http://www.hmdb.ca/metabolites/HMDB01993 HMDB NA NA +HMDB03550 Calcidiol C27H44O2 400.33414 http://www.hmdb.ca/metabolites/HMDB03550 HMDB NA NA +HMDB06721 5,6-trans-25-Hydroxyvitamin D3 C27H44O2 400.33414 http://www.hmdb.ca/metabolites/HMDB06721 HMDB NA NA +HMDB06722 25-Hydroxytachysterol3 C27H44O2 400.33414 http://www.hmdb.ca/metabolites/HMDB06722 HMDB NA NA +HMDB00501 7-Ketocholesterol C27H44O2 400.33414 http://www.hmdb.ca/metabolites/HMDB00501 PFEM_hmdb_metabocards_blood NA blood +HMDB01993 7a-Hydroxy-cholestene-3-one C27H44O2 400.33414 http://www.hmdb.ca/metabolites/HMDB01993 PFEM_hmdb_metabocards_blood NA blood +HMDB03550 Calcidiol C27H44O2 400.33414 http://www.hmdb.ca/metabolites/HMDB03550 PFEM_hmdb_metabocards_blood NA blood +HMDB00501 7-Ketocholesterol C27H44O2 400.33414 HMDB00501 PFEM_hmdb_metabocards_official NA NA +HMDB01993 7a-Hydroxy-cholestene-3-one C27H44O2 400.33414 HMDB01993 PFEM_hmdb_metabocards_official NA NA +HMDB03550 Calcidiol C27H44O2 400.33414 HMDB03550 PFEM_hmdb_metabocards_official NA NA +HMDB06721 5,6-trans-25-Hydroxyvitamin D3 C27H44O2 400.33414 HMDB06721 PFEM_hmdb_metabocards_official NA NA +HMDB06722 25-Hydroxytachysterol3 C27H44O2 400.33414 HMDB06722 PFEM_hmdb_metabocards_official NA NA +MJ055040 Pahutoxin C23H46NO4 400.342683 NA MeJP NA NA +MJ055041 Buxaminol I; N3,N3-Di-Me C26H44N2O 400.345364 NA MeJP NA NA +MJ055042 Cyclobuxine I; N3,N3,N20-Tri-Me C26H44N2O 400.345364 NA MeJP NA NA +MJ055043 Pregn-5-ene-3,20-diamine, N3,N3,N20-Tri-Me, N20-Ac C26H44N2O 400.345364 NA MeJP NA NA +MJ055044 Stellettamide A C26H45N2O(+) 400.345364 NA MeJP NA NA +MJ055045 15,16-Dihydroxytetracosanoic acid C24H48O4 400.35526 NA MeJP NA NA +MJ055046 Antibiotic AKD 2; Antibiotic AKD 2D C24H48O4 400.35526 NA MeJP NA NA +C01789 Campesterol C28H48O 400.3705 NA KEGG NA NA +C01790 Capreomycin C19H30N12O6 400.3705 NA KEGG NA NA +C05110 4alpha-Methylcholesta-8-en-3beta-ol C28H48O 400.3705 NA KEGG NA NA +C05111 Methostenol C28H48O 400.3705 NA KEGG NA NA +C08825 Lophenol C28H48O 400.3705 NA KEGG NA NA +C08826 Gum karaya C28H48O 400.3705 NA KEGG NA NA +C08827 Gum tragacanth C28H48O 400.3705 NA KEGG NA NA +C08828 Mesquite gum C28H48O 400.3705 NA KEGG NA NA +C08833 Pollinastanol C28H48O 400.3705 NA KEGG NA NA +C15784 Campest-4-en-3beta-ol C28H48O 400.3705 NA KEGG NA NA +C15786 5alpha-Campestan-3-one C28H48O 400.3705 NA KEGG NA NA +HMDB02869 Campesterol C28H48O 400.37051 http://www.hmdb.ca/metabolites/HMDB02869 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02869 Campesterol C28H48O 400.37051 http://www.hmdb.ca/metabolites/HMDB02869 HMDB NA NA +HMDB02869 Campesterol C28H48O 400.37051 http://www.hmdb.ca/metabolites/HMDB02869 PFEM_hmdb_metabocards_blood NA blood +HMDB02869 Campesterol C28H48O 400.37051 HMDB02869 PFEM_hmdb_metabocards_official NA NA +HMDB02869 Campesterol C28H48O 400.370514 NA HMDB2010 NA NA +HMDB11605 4-alpha-Methyl-5-alpha-cholest-7-en-3-beta-ol C28H48O 400.370514 NA HMDB2010 NA NA +HMDB12116 (5Alpha)-campestan-3-one C28H48O 400.370514 NA HMDB2010 NA NA +MJ055047 14-Methylcholest-9(11)-en-3-ol C28H48O 400.370516 NA MeJP NA NA +MJ055048 14-Methylcholestan-3-one C28H48O 400.370516 NA MeJP NA NA +MJ055049 19-Norstigmast-22-en-3-ol C28H48O 400.370516 NA MeJP NA NA +MJ055050 23-Methyl-19-norergost-22-en-3-ol C28H48O 400.370516 NA MeJP NA NA +MJ055051 24,25-Methylenecholestan-3-ol C28H48O 400.370516 NA MeJP NA NA +MJ055052 26,27-Dinorcycloartan-3-ol C28H48O 400.370516 NA MeJP NA NA +MJ055053 3-Hydroxymethyl-A-norergost-15-ene C28H48O 400.370516 NA MeJP NA NA +MJ055054 3-Hydroxymethyl-A-norergost-22-ene C28H48O 400.370516 NA MeJP NA NA +MJ055055 4-Methyl-8(14)-cholesten-3-ol C28H48O 400.370516 NA MeJP NA NA +MJ055056 4-Methylcholest-22-en-3-ol C28H48O 400.370516 NA MeJP NA NA +MJ055057 4-Methylcholest-5-en-3-ol C28H48O 400.370516 NA MeJP NA NA +MJ055058 4-Methylcholest-7-en-3-ol C28H48O 400.370516 NA MeJP NA NA +MJ055059 4-Methylcholest-8-en-3-ol C28H48O 400.370516 NA MeJP NA NA +MJ055060 Ergost-22-en-3-ol C28H48O 400.370516 NA MeJP NA NA +MJ055061 Ergost-24(28)-en-3-ol C28H48O 400.370516 NA MeJP NA NA +MJ055062 Ergost-5-en-3-ol C28H48O 400.370516 NA MeJP NA NA +MJ055063 Ergost-7-en-3-ol C28H48O 400.370516 NA MeJP NA NA +MJ055064 Ergost-8(14)-en-3-ol C28H48O 400.370516 NA MeJP NA NA +MJ055065 Ergost-8-en-3-ol C28H48O 400.370516 NA MeJP NA NA +MJ055066 Pollinastanol C28H48O 400.370516 NA MeJP NA NA +MJ055067 4alpha-Methylcholesta-8-en-3beta-ol C28H48O 400.370516 NA MeJP NA NA +MetaCyc03383 4α-methyl-5α-cholest-7-en-3β-ol [] C28H48O1 400.370516 NA metacyc NA NA +MetaCyc03384 campest-4-en-3β-ol [methylcholestenol;(24R)-24-methyl-cholest-4-en-3β-ol;] C28H48O1 400.370516 NA metacyc NA NA +MetaCyc03385 lophenol [] C28H48O1 400.370516 NA metacyc NA NA +MetaCyc03386 4α-methyl-cholesta-8-enol [] C28H48O1 400.370516 NA metacyc NA NA +MetaCyc03387 (5α)-campestan-3-one [methylcholestanone;(24R)-24-methyl-5α-cholestan-3-one;3-dehydro-campestanol;] C28H48O1 400.370516 NA metacyc NA NA +MetaCyc03388 campesterol [] C28H48O1 400.370516 NA metacyc NA NA +MJ055068 Buxocyclamine I; N-Tetra-Me C27H48N2 400.381749 NA MeJP NA NA +MJ055069 Cycloprotobuxine I; N3,N20,N20-Tri-Me C27H48N2 400.381749 NA MeJP NA NA +C10799 Cycloprotobuxine C C27H48N2 400.3818 NA KEGG NA NA +MJ055070 Stigmastane C29H52 400.406901 NA MeJP NA NA +3717 NA YPFGFDG 400.65995 MH2+ Inhouse_peptide NA peptide +3272 NA VTRGDSPA 400.69245 MH2+ Inhouse_peptide NA peptide +3345 ACE inhibitor DMIPAQK 400.69615 MH2+ Inhouse_peptide NA peptide +8299 ACE inhibitor RMLGQTP 400.7017 MH2+ Inhouse_peptide NA peptide +7565 ACE inhibitor LHLPLPL 400.749 MH2+ Inhouse_peptide NA peptide +MJ055071 Hymenialdisine; 3-Bromo C11H9Br2N5O2 400.912299 NA MeJP NA NA +C14868 S-(1,2-Dichlorovinyl)glutathione C12H17Cl2N3O6S 401.0215 NA KEGG NA NA +MJ055072 Bemetizide C15H16ClN3O4S2 401.027075 NA MeJP NA NA +C04187 5-Methyldeoxycytidine diphosphate C10H17N3O10P2 401.0389 NA KEGG NA NA +MetaCyc03389 5-methyldeoxycytidine diphosphate [] C10H17N3O10P2 401.038917 NA metacyc NA NA +MJ055073 Mebiquine C10H10BiNO3 401.046451 NA MeJP NA NA +MJ055074 Triflumidate C17H14F3NO5S 401.054477 NA MeJP NA NA +C10961 Triasulfuron C14H16ClN5O5S 401.0561 NA KEGG NA NA +MJ055075 Penflutizide C13H18F3N3O4S2 401.069082 NA MeJP NA NA +MJ055076 [3-[[1-(3,4-Dichlorophenyl)ethyl]amino]-2-hydroxypropyl](phenylmethyl)phosphinic acid C18H22Cl2NO3P 401.071435 NA MeJP NA NA +MJ055077 5-Hexenyl glucosinolate C13H23NO9S2 401.081422 NA MeJP NA NA +MJ055078 1,1,1,15,15,15-Hexachloro-3,12-pentadecadiyn-8-amine, 1,15-Didechloro, 3,3,4,4-tetrahydro, N-Ac C17H27Cl4NO 401.084675 NA MeJP NA NA +MJ055079 Antibiotic M 53B2 C15H19N3O8S 401.089285 NA MeJP NA NA +MJ055080 Flavopiridol C21H20ClNO5 401.103 NA MeJP NA NA +C07334 Oxacillin C19H19N3O5S 401.1045 NA KEGG NA NA +MJ055081 Oxacillin C19H19N3O5S 401.104541 NA MeJP NA NA +MJ055082 10-Fluoro-3-(2-fluorophenyl)-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline-8-carboxylic acid C25H17F2NO2 401.122735 NA MeJP NA NA +MJ055083 Penicillin N; 5'-Epimer, 5'-N-Ac C16H23N3O7S 401.12567 NA MeJP NA NA +MJ055084 Oxyphenisatin; O,O-Di-Ac C24H19NO5 401.126322 NA MeJP NA NA +MJ055085 Rilmakalim C21H23NO5S 401.129693 NA MeJP NA NA +MJ055086 Sudexanox C21H23NO5S 401.129693 NA MeJP NA NA +MJ055087 Alozafone C21H21ClFN3O2 401.130632 NA MeJP NA NA +MJ055088 Dopamine; N-Carboxyacetyl, 3-O-?-D-glucopyranoside C17H23NO10 401.132195 NA MeJP NA NA +MJ055089 Pipamazine C21H24ClN3OS 401.13286 NA MeJP NA NA +PJ000913 DMH C15H23N5O6S 401.1369 NA PeJP NA NA +MJ055090 Phosphophenylalanylarginine C15H24N5O6P 401.14642 NA MeJP NA NA +3786 NA GYY 401.147 ACE inhibitor Inhouse_peptide NA peptide +7867 antioxidative peptide from Okara protein GYY 401.147 antioxidative Inhouse_peptide NA peptide +7946 Antioxidative peptide YYG 401.147 ACE inhibitor Inhouse_peptide NA peptide +7967 Antioxidative peptide YGY 401.147 antioxidative Inhouse_peptide NA peptide +MJ055091 Ceratocapnidine C21H23NO7 401.147452 NA MeJP NA NA +MJ055092 Clivonine, O-(3-Oxobutanoyl) C21H23NO7 401.147452 NA MeJP NA NA +MJ055093 Colchiciline; 2-O-De-Me C21H23NO7 401.147452 NA MeJP NA NA +MJ055094 Colchifoline; O2-De-Me C21H23NO7 401.147452 NA MeJP NA NA +MJ055095 Isonoyaine C21H23NO7 401.147452 NA MeJP NA NA +MJ055096 Margrapine A C21H23NO7 401.147452 NA MeJP NA NA +MJ055097 Noyaine C21H23NO7 401.147452 NA MeJP NA NA +MJ055098 Fominoben C21H24ClN3O3 401.150619 NA MeJP NA NA +MJ055099 Ipsapirone C19H23N5O3S 401.15216 NA MeJP NA NA +PJ000914 GPND C15H23N5O8 401.1547 NA PeJP NA NA +MJ055100 Setoperone C21H24FN3O2S 401.157325 NA MeJP NA NA +PJ000915 GYY C20H23N3O6 401.1587 NA PeJP NA NA +MJ055101 5-Methoxy-4-[2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl chloroacetylcarbamate C19H28ClNO6 401.160515 NA MeJP NA NA +MJ055102 ?-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid C25H23NO4 401.162708 NA MeJP NA NA +MJ055103 Na-[3-(1H-Indol-3-yl)propenoyl]tryptophan, Et ester C24H23N3O3 401.173941 NA MeJP NA NA +MJ055104 Moxifloxacin C21H24FN3O4 401.175084 NA MeJP NA NA +C07663 Moxifloxacin C21H24FN3O4 401.1751 NA KEGG NA NA +C13776 E-4031 C21H27N3O3S 401.1773 NA KEGG NA NA +MJ055105 N-[4-[[1-[2-(6-Methyl-2-pyridinyl)ethyl]-4-piperidinyl]carbonyl]phenyl]methanesulfonamide C21H27N3O3S 401.177312 NA MeJP NA NA +MJ055106 Sonepiprazole C21H27N3O3S 401.177312 NA MeJP NA NA +MJ055107 Alpinigenine C22H27NO6 401.183837 NA MeJP NA NA +MJ055108 Alpinine; N-De-Me C22H27NO6 401.183837 NA MeJP NA NA +MJ055109 Kreysigine, N-Oxide C22H27NO6 401.183837 NA MeJP NA NA +MJ055110 Macrantaline C22H27NO6 401.183837 NA MeJP NA NA +MJ055111 Nisbuterol C22H27NO6 401.183837 NA MeJP NA NA +MJ055112 Szovitsinine C22H27NO6 401.183837 NA MeJP NA NA +MJ055113 Thalicsimidine, N-Oxide C22H27NO6 401.183837 NA MeJP NA NA +MJ055114 Tirandalydigin C22H27NO6 401.183837 NA MeJP NA NA +PJ000916 GPTQ C16H27N5O7 401.1911 NA PeJP NA NA +MJ055115 Austrodimerine C21H27N3O5 401.19507 NA MeJP NA NA +MJ055116 Bassianin C21H27N3O5 401.19507 NA MeJP NA NA +MJ055117 Bioxalomycin ?1; N-Me C21H27N3O5 401.19507 NA MeJP NA NA +MJ055118 Morocromen C21H27N3O5 401.19507 NA MeJP NA NA +MJ055119 1,4-Bis(4-methoxyphenyl)-3-(3-phenylpropyl)-2-azetidinone C26H27NO3 401.199093 NA MeJP NA NA +CJneg0592 Octanoylcarnitine [(M-H)+(HCOOH)+(HCOONa)]- C17H31NNaO8 401.203125 C18rt(min)=7.86 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0592 Octanoylcarnitine [(M-H)+(HCOOH)+(HCOONa)]- C17H31NNaO8 401.203125 C18rt(min)=7.86 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +3983 fragment 264-269 of bovine lactoferrin EDLIWK 401.20495 MH2+ Inhouse_peptide NA peptide +PJ000917 VHF C20H27N5O4 401.2063 NA PeJP NA NA +MJ055120 Fructigenine A; N-De-Ac C25H27N3O2 401.210327 NA MeJP NA NA +2837 oxitocin CYIQNCPLG~ 401.21045 MH2+ Inhouse_peptide NA peptide +MJ055121 Mafoprazine C22H28FN3O3 401.211469 NA MeJP NA NA +MJ055122 Belactosin B C18H31N3O7 401.2162 NA MeJP NA NA +MJ055123 Antibiotic F 1839A C23H31NO5 401.220223 NA MeJP NA NA +MJ055124 Hetisan-2,11,13,14-tetrol, 2-Propanoyl C23H31NO5 401.220223 NA MeJP NA NA +MJ055125 Nakijiquinone A C23H31NO5 401.220223 NA MeJP NA NA +PJ000918 GPTK C17H31N5O6 401.2274 NA PeJP NA NA +PJ000919 ASPK C17H31N5O6 401.2275 NA PeJP NA NA +MJ055126 Amperozide C23H29F2N3O 401.227868 NA MeJP NA NA +2669 synthetic fr, of human beta-CN (123-129) ACE inhibitor NLHLPLP 401.22845 MH2+ Inhouse_peptide NA peptide +MJ055127 7-[3-(4-Cyanophenoxy)-2-hydroxypropyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid, tert-Butyl ester C22H31N3O4 401.231456 NA MeJP NA NA +7575 ACE inhibitor from chicken muscle FQKPKR 401.2335 MH2+ Inhouse_peptide NA peptide +C11292 N-Acetylleucyl-leucyl-methioninal C19H35N3O4S 401.2348 NA KEGG NA NA +37 Myosin FQKPKR 401.235 MH2+ Inhouse_peptide NA peptide +PJ000920 VQR C16H31N7O5 401.2387 NA PeJP NA NA +MJ055128 5-Methylurapidil C21H31N5O3 401.242689 NA MeJP NA NA +MJ055129 8-(2,3,3a,4,5,6-Hexahydro-1H-phenalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one C26H31N3O 401.246712 NA MeJP NA NA +PJ000921 ARR C15H31N9O4 401.2499 NA PeJP NA NA +MJ055130 7-Demethylpiericidin A1 C24H35NO4 401.256608 NA MeJP NA NA +MJ055131 Ajaconine; 15-Epimer, 15-Ac C24H35NO4 401.256608 NA MeJP NA NA +MJ055132 Antibiotic L 755807 C24H35NO4 401.256608 NA MeJP NA NA +MJ055133 Aspochalasin C C24H35NO4 401.256608 NA MeJP NA NA +MJ055134 Daphnigracine; 9,22-Didehydro C24H35NO4 401.256608 NA MeJP NA NA +MJ055135 Lepenine; O11-Ac C24H35NO4 401.256608 NA MeJP NA NA +MJ055136 Lepenine; O15-Ac C24H35NO4 401.256608 NA MeJP NA NA +MJ055137 Lucidusculine C24H35NO4 401.256608 NA MeJP NA NA +MJ055138 Napelline; O12-Ac C24H35NO4 401.256608 NA MeJP NA NA +MJ055139 Piericidin; Piericidin A1, O5-De-Me C24H35NO4 401.256608 NA MeJP NA NA +MJ055140 Spiramine H; O15-Ac C24H35NO4 401.256608 NA MeJP NA NA +PJ000922 AALK C18H35N5O5 401.2638 NA PeJP NA NA +MJ055141 Tubingensin A C28H35NO 401.271864 NA MeJP NA NA +MJ055142 Tubingensin B C28H35NO 401.271864 NA MeJP NA NA +PJ000923 VKR C17H35N7O4 401.2751 NA PeJP NA NA +MJ055143 Mycestericin A C21H39NO6 401.277737 NA MeJP NA NA +MJ055144 Myriocin C21H39NO6 401.277737 NA MeJP NA NA +MJ055145 Sphingofungin E; 21-Deoxy C21H39NO6 401.277737 NA MeJP NA NA +MJ055146 Myxalamides; Myxalamide B C25H39NO3 401.292994 NA MeJP NA NA +C12159 Myxalamid B C25H39NO3 401.293 NA KEGG NA NA +MJ055147 Anisperimus C18H39N7O3 401.311438 NA MeJP NA NA +MJ055148 Cyclomicuranine L C26H43NO2 401.329379 NA MeJP NA NA +MJ055149 Mycalazoles; Mycalazole 2, 18',19'-Dihydro C26H43NO2 401.329379 NA MeJP NA NA +C16893 Stellettamide A C26H45N2O 401.3532 NA KEGG NA NA +C15336 3beta,4-Dimethyl-4-aza-5alpha-cholestane C28H51N 401.4022 NA KEGG NA NA +2876 opioid fragment of dermorphin YAFGYPS 401.668 MH2+ Inhouse_peptide NA peptide +MJ055150 1,3,3-Tribromo-1-iodo-1-propene C3H2Br3I 401.675131 NA MeJP NA NA +3691 NA VTKFYF 401.704 MH2+ Inhouse_peptide NA peptide +8264 f(162-169) of bovine kappa casein VQVTSTAV 401.7125 MH2+ Inhouse_peptide NA peptide +MJ055151 4-Bromo-5-(dibromomethylene)-3-(1-hydroxybutyl)-2(5H)-furanone C9H9Br3O3 401.810182 NA MeJP NA NA +MJ055152 1,2-Bis(3-bromo-4,5-dihydroxyphenyl)ethane C14H12Br2O4 401.910234 NA MeJP NA NA +MJ055153 Avrainvilleol C14H12Br2O4 401.910234 NA MeJP NA NA +MJ055154 Isookamurallene C15H16Br2O3 401.946619 NA MeJP NA NA +MJ055155 Okamurallene C15H16Br2O3 401.946619 NA MeJP NA NA +CJneg0593 pyrocatechol sulfate isomer [(2M-2H+Na)]- C12H10NaO10S2 401.969725 C18rt(min)=4.88 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0593 pyrocatechol sulfate isomer [(2M-2H+Na)]- C12H10NaO10S2 401.969725 C18rt(min)=4.88 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ055156 2,4,5-Trichloro-1,3,6-trihydroxy-8-methylxanthone; Tri-Me ether C17H13Cl3O5 401.982856 NA MeJP NA NA +MJ055157 Caloploicin C17H13Cl3O5 401.982856 NA MeJP NA NA +MJ055158 Diploicin; 4-Dechloro, Me ether C17H13Cl3O5 401.982856 NA MeJP NA NA +MJ055159 14,16-Dibromo-7,13,15-hexadecatrien-5-ynoic acid C16H20Br2O2 401.983005 NA MeJP NA NA +MJ055160 Cacoxanthene; 2?,6-Dibromo, 7-hydroxy C16H20Br2O2 401.983005 NA MeJP NA NA +MJ055161 Cyclocymopol C16H20Br2O2 401.983005 NA MeJP NA NA +C00363 dTDP C10H16N2O11P2 402.0229 NA KEGG NA NA +HMDB01274 dTDP C10H16N2O11P2 402.022919 NA HMDB2010 NA NA +HMDB01274 dTDP C10H16N2O11P2 402.02292 http://www.hmdb.ca/metabolites/HMDB01274 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01274 dTDP C10H16N2O11P2 402.02292 http://www.hmdb.ca/metabolites/HMDB01274 HMDB NA NA +HMDB01274 dTDP C10H16N2O11P2 402.02292 http://www.hmdb.ca/metabolites/HMDB01274 PFEM_hmdb_metabocards_blood NA blood +HMDB01274 dTDP C10H16N2O11P2 402.02292 HMDB01274 PFEM_hmdb_metabocards_official NA NA +MJ055162 dTDP C10H16N2O11P2 402.022932 NA MeJP NA NA +MetaCyc03390 dTDP [TDP;thymidine 5'-(trihydrogen diphosphate) (9CI);deoxy-TDP;thymidine-5'-diphosphate;thymidine-diphosphate;] C10H16N2O11P2 402.022932 491-97-4 metacyc NA NA +MJ055163 Roflumilast C17H14Cl2F2N2O3 402.034954 NA MeJP NA NA +MJ055164 Tris(3-hydroxy-2-methyl-4H-pyran-4-onato-O3,O4)aluminium C18H15AlO9 402.053145 NA MeJP NA NA +MJ055165 Constictic acid C19H14O10 402.058696 NA MeJP NA NA +MJ055166 Coruleoellagic acid; 7,8-Methylene, 1,2,3,6-tetra-Me ether C19H14O10 402.058696 NA MeJP NA NA +MJ055167 Erimopyrone; 9-Me ester C19H14O10 402.058696 NA MeJP NA NA +MJ055168 Jamesopyrone, 9'-Me ester C19H14O10 402.058696 NA MeJP NA NA +MJ055169 Jamesopyrone, 9-Me ester C19H14O10 402.058696 NA MeJP NA NA +MJ055170 Salazinic acid; 1''-Me ether C19H14O10 402.058696 NA MeJP NA NA +MJ055171 Shoyuflavone A; 5-Hydroxy C19H14O10 402.058696 NA MeJP NA NA +MJ055172 Siphulellic acid C19H14O10 402.058696 NA MeJP NA NA +MJ055173 Stictic acid; 1''-Carboxylic acid C19H14O10 402.058696 NA MeJP NA NA +MJ055174 Triaqua[hydrogencitrato(3-)]iron; Compd. with choline C11H24FeNO11 402.069877 NA MeJP NA NA +MJ055175 Basidifferquinone B; 7-Deoxy C23H14O7 402.073952 NA MeJP NA NA +HMDB01117 4-Phosphopantothenoylcysteine C12H23N2O9PS 402.08618 http://www.hmdb.ca/metabolites/HMDB01117 HMDB NA NA +HMDB01117 4-Phosphopantothenoylcysteine C12H23N2O9PS 402.08618 HMDB01117 PFEM_hmdb_metabocards_official NA NA +HMDB01117 4-Phosphopantothenoylcysteine C12H23N2O9PS 402.086182 NA HMDB2010 NA NA +MJ055176 (R)-4'-Phosphopantothenoyl-L-cysteine C12H23N2O9PS 402.086187 NA MeJP NA NA +MetaCyc03391 R-4'-phosphopantothenoyl-L-cysteine [(R)-4'-phospho-N-pantothenoyl-L-cysteine;4-P-N-pantothenoylcysteine;4'-P-N-pantothenoylcysteine;N-((R)-4-phosphopantothenoyl)-L-cysteine;4'-phosphopantothenoylcysteine;4'-phospho-N-pantothenoylcysteine;(R)-4'-phosphopantothenoyl-L-cysteine;N-[(R)-4'-phosphopantothenoyl]-L-cysteine;] C12H23N2O9P1S1 402.086188 NA metacyc NA NA +C04352 (R)-4'-Phosphopantothenoyl-L-cysteine C12H23N2O9PS 402.0862 NA KEGG NA NA +MJ055177 Pipoxide chlorohydrin C21H19ClO6 402.087016 NA MeJP NA NA +FL3FAACS0002 Cerarvensin;5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-beta-D-xylopyranosyl-4H-1-benzopyran-4-one C20H18O9 402.09508 83162-83-8 knapsack NA NA +FL3FAACS0003 Isomollupentin;6-C-Arabinosylapigenin;6-alpha-L-Arabinopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C20H18O9 402.09508 38642-54-5 knapsack NA NA +FL3FAACS0004 Mollupentin;Apigenin-8-C-alpha-L-arabinopyranoside;8-alpha-L-Arabinopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C20H18O9 402.09508 38642-55-6 knapsack NA NA +FL3FAAGS0006 Apigenin 7-xyloside C20H18O9 402.09508 54595-43-6 knapsack NA NA +FL3FGGNS0010 7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone C20H18O9 402.09508 119153-15-0 knapsack NA NA +FL5FF9NM0006 5,2',5'-Trihydroxy-3,7,8-trimethoxyflavone 2'-acetate C20H18O9 402.09508 117259-17-3 knapsack NA NA +FL5FFCNS0029 Gossypetin 3,7,3'-trimethyl ether 8-acetate C20H18O9 402.09508 83159-16-4 knapsack NA NA +FL5FGCNS0023 5-Hydroxy-3,6,7,8-tetramethoxy-3',4'-methylenedioxyflavone;5-Demethylmelibentin;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one C20H18O9 402.09508 5071-28-3 knapsack NA NA +FL5FGCNS0029 2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one C20H18O9 402.09508 244260-16-0 knapsack NA NA +MJ055178 1,3,8-Trihydroxy-2-methylanthraquinone; 8-O-?-L-Arabinopyranoside C20H18O9 402.095082 NA MeJP NA NA +MJ055179 1,3,8-Trihydroxy-6-methylanthraquinone; 1-O-?-L-Arabinopyranoside C20H18O9 402.095082 NA MeJP NA NA +MJ055180 1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-?-D-Apiofuranoside C20H18O9 402.095082 NA MeJP NA NA +MJ055181 1,3-Dihydroxyanthraquinone; 3-O-?-D-Glucopyranoside C20H18O9 402.095082 NA MeJP NA NA +MJ055182 2',3,5,5',7,8-Hexahydroxyflavone; 2',5',7-Tri-Me ether, 8-Ac C20H18O9 402.095082 NA MeJP NA NA +MJ055183 2',3,5,5',7,8-Hexahydroxyflavone; 3,7,8-Tri-Me ether, 2'-Ac C20H18O9 402.095082 NA MeJP NA NA +MJ055184 3',4',5,5',6,7,8-Heptahydroxyflavone; 5,5',6,8-Tetra-Me, 3',4'-methylene ether C20H18O9 402.095082 NA MeJP NA NA +MJ055185 3,3',4',5,5',7,8-Heptahydroxyflavone; 3,3',7,8-Tetra-Me, 4',5'-methylene ether C20H18O9 402.095082 NA MeJP NA NA +MJ055186 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4'-Methylene, 3,5,6,8-tetra-Me ether C20H18O9 402.095082 NA MeJP NA NA +MJ055187 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4'-Methylene, 3,6,7,8-tetra-Me ether C20H18O9 402.095082 NA MeJP NA NA +MJ055188 3,3',4',5,7,8-Hexahydroxyflavone; 3,3',7-Tri-Me ether, 8-O-Ac C20H18O9 402.095082 NA MeJP NA NA +MJ055189 4',5,7-Trihydroxyflavone; 4'-O-?-L-Arabinopyranoside C20H18O9 402.095082 NA MeJP NA NA +MJ055190 4',5,7-Trihydroxyflavone; 7-O-?-D-Xylopyranoside C20H18O9 402.095082 NA MeJP NA NA +MJ055191 4',5,7-Trihydroxyflavone; 7-O-?-L-Arabinopyranoside C20H18O9 402.095082 NA MeJP NA NA +MJ055192 Cerarvensin C20H18O9 402.095082 NA MeJP NA NA +MJ055193 Cleomiscosin A; 5'-Hydroxy C20H18O9 402.095082 NA MeJP NA NA +MJ055194 Griseusin B, 4?-Hydroxy, lactone, O-de-Ac C20H18O9 402.095082 NA MeJP NA NA +MJ055195 Isomollupentin C20H18O9 402.095082 NA MeJP NA NA +MJ055196 Mollupentin C20H18O9 402.095082 NA MeJP NA NA +MJ055197 Protocetraric acid; 1'-Et ether C20H18O9 402.095082 NA MeJP NA NA +MJ055198 Protocetraric acid; Et ester C20H18O9 402.095082 NA MeJP NA NA +MJ055199 Rubianin C20H18O9 402.095082 NA MeJP NA NA +MJ055200 Versiconol; 3'-Ac C20H18O9 402.095082 NA MeJP NA NA +MJ055201 Versiconol; 4'-Ac C20H18O9 402.095082 NA MeJP NA NA +MJ055202 ?-Rhodomycinone; 4-Hydroxy, 10-epimer C20H18O9 402.095082 NA MeJP NA NA +MJ055203 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-?-D-Xylopyranoside C20H19O9(+) 402.095082 NA MeJP NA NA +MetaCyc03392 1-hydroxy-2-(β-D-glucosyloxy)-9,10- anthraquinone [] C20H18O9 402.095082 NA metacyc NA NA +C04719 1-Hydroxy-2-(beta-D-glucosyloxy)-9,10-anthraquinone C20H18O9 402.0951 NA KEGG NA NA +C10349 Frangulin B C20H18O9 402.0951 NA KEGG NA NA +MJ055204 N-Phosphomethionine S-sulfoximinylalanylalanine C11H23N4O8PS 402.09742 NA MeJP NA NA +MJ055205 Antibiotic 3822B C20H22N2O3S2 402.107183 NA MeJP NA NA +FL1CAANN0001 8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin C24H18O6 402.11033 73536-04-6 knapsack NA NA +FL2FA9NN0001 Calomelanol I;3,4,7,8-Tetrahydro-5-hydroxy-4-(4-hydroxyphenyl)-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione C24H18O6 402.11033 143228-46-0 knapsack NA NA +FL2FAANN0001 Calomelanol H;3,4,7,8-Tetrahydro-5-hydroxy-8-(4-hydroxyphenyl)-4-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione C24H18O6 402.11033 143228-45-9 knapsack NA NA +FL4DA9NN0001 Pinobanksin 3-cinnamate C24H18O6 402.11033 110065-73-1 knapsack NA NA +MJ055206 3,5,7-Trihydroxyflavanone, 3-O-Cinnamoyl(E-) C24H18O6 402.110338 NA MeJP NA NA +MJ055207 6,6'-Ethylidenebis[5-hydroxy-2-methyl-1,4-naphthoquinone] C24H18O6 402.110338 NA MeJP NA NA +MJ055208 8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin; 4''-Hydroxy C24H18O6 402.110338 NA MeJP NA NA +MJ055209 Calomelanol E; 4''-Deoxy C24H18O6 402.110338 NA MeJP NA NA +MJ055210 Calomelanol E; 4'-Deoxy C24H18O6 402.110338 NA MeJP NA NA +MJ055211 Ohioensin C; 5-Hydroxy, 3-Me ether C24H18O6 402.110338 NA MeJP NA NA +MJ055212 Saptomycin A; 16-Deoxy, 14,16-epoxy C24H18O6 402.110338 NA MeJP NA NA +MJ055213 Gardenosidic acid; 10-Aldehyde, Me ester C17H22O11 402.116211 NA MeJP NA NA +MJ055214 Ixoside; 10-Me ester C17H22O11 402.116211 NA MeJP NA NA +MJ055215 6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-(2-Hydroxy-6-methylbenzoyl) C23H18N2O5 402.121571 NA MeJP NA NA +C12311 Saphenamycin C23H18N2O5 402.1216 NA KEGG NA NA +MJ055216 Cyanobacterin B C22H23ClO5 402.123401 NA MeJP NA NA +MJ055217 Flustramide A C21H27BrN2O 402.130676 NA MeJP NA NA +MJ055218 Flustramine E; N8-(3-Methyl-2-butenyl), 2-oxo C21H27BrN2O 402.130676 NA MeJP NA NA +FL1C9AGS0001 4,2'-Dihydroxychalcone 4-glucoside C21H22O8 402.13146 81793-82-0 knapsack NA NA +FL2F19GS0001 7-Hydroxyflavanone beta-D-glucopyranoside C21H22O8 402.13146 138166-64-0 knapsack NA NA +FL2FA9GS0003 Pinocembrin 7-O-rhamnoside C21H22O8 402.13146 - knapsack NA NA +FL3F98NS0016 5,6,2',3',5',6'-Hexamethoxyflavone;5,6-Dimethoxy-2-(2,3,5,6-tetramethoxyphenyl)-4H-1-benzopyran-4-one C21H22O8 402.13146 851383-32-9 knapsack NA NA +FL3F9GNS0002 5,6,8,3',4',5'-Hexamethoxyflavone C21H22O8 402.13146 135010-79-6 knapsack NA NA +FL3F9LNS0001 5,6,2',3',4',6'-Hexamethoxyflavone;5,6-Dimethoxy-2-(2,3,4,6-tetramethoxyphenyl)-4H-1-benzopyran-4-one C21H22O8 402.13146 100742-33-4 knapsack NA NA +FL3FEGNS0012 5,6,7,3',4',5'-Hexamethoxyflavone;5,6,7-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C21H22O8 402.13146 29043-07-0 knapsack NA NA +FL3FFGNS0006 Bannamurpanisin C21H22O8 402.13146 80324-51-2 knapsack NA NA +FL3FGCNS0001 Nobiletin C21H22O8 402.13146 478-01-3 knapsack NA NA +FL4DE8NI0001 Paraibanol;3,5,7,2',5'-Pentahydroxy-6-methoxy-8-prenylflavanone C21H22O8 402.13146 253786-79-7 knapsack NA NA +FL5FALNS0017 3,5,7,2',4',5'-Hexamethoxyflavone C21H22O8 402.13146 21829-45-8 knapsack NA NA +FL5FDKNS0005 Myricetin hexamethyl ether;3,5,7,3',4',5'-Hexamethoxyflavone;Hexa-O-methylmyricitin;Hexamethylmyricetin;3,5,7-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C21H22O8 402.13146 14813-27-5 knapsack NA NA +FL5FECNS0037 Quercetagetin hexamethyl ether;3,5,6,7,3',4'-Hexamethoxyflavone;Hexamethylquercetagetin;Oxyayanin B trimethyl ether;2-(3,4-Dimethoxyphenyl)-3,5,6,7-tetramethoxy-4H-1-benzopyran-4-one C21H22O8 402.13146 1251-84-9 knapsack NA NA +FL5FFCNS0025 Gossypetin hexamethyl ether;3,5,7,8,3',4'-Hexamethoxyflavone;2-(3,4-Dimethoxyphenyl)-3,5,7,8-tetramethoxy-4H-1-benzopyran-4-one C21H22O8 402.13146 7741-47-1 knapsack NA NA +FL5FGANS0009 3,5,6,7,8,4'-Hexamethoxyflavone;3,5,6,7,8-Pentamethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C21H22O8 402.13146 34170-18-8 knapsack NA NA +MJ055219 1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac C21H22O8 402.131467 NA MeJP NA NA +MJ055220 2',3',4',5,6,6'-Hexahydroxyflavone; Hexa-Me ether C21H22O8 402.131467 NA MeJP NA NA +MJ055221 2',3,4',5,5',7-Hexahydroxyflavone; Hexa-Me ether C21H22O8 402.131467 NA MeJP NA NA +MJ055222 2',3,5,5',6,7-Hexahydroxy-8-prenylflavanone, 6-Me ether C21H22O8 402.131467 NA MeJP NA NA +MJ055223 2',4',5,5',6,7-Hexahydroxyflavone; Hexa-Me ether C21H22O8 402.131467 NA MeJP NA NA +MJ055224 2',4',5,5',7-Pentahydroxy-3'-prenylisoflavone; 2'',3''-Dihydro, 3''-hydroxy, 5'-Me ether C21H22O8 402.131467 NA MeJP NA NA +MJ055225 2',4,4'-Trihydroxychalcone; 4'-O-?-L-Rhamnopyranoside C21H22O8 402.131467 NA MeJP NA NA +MJ055226 2',4-Dihydroxychalcone; 4-O-?-D-Glucopyranoside C21H22O8 402.131467 NA MeJP NA NA +MJ055227 2,4,7-Phenanthrenetriol; 4-Me ether, 2-O-?-D-glucopyranoside C21H22O8 402.131467 NA MeJP NA NA +MJ055228 3',4',5',6,7,8-Hexahydroxyisoflavone; Hexa-Me ether C21H22O8 402.131467 NA MeJP NA NA +MJ055229 3',4',5,5',6,7-Hexahydroxyflavone; Hexa-Me ether C21H22O8 402.131467 NA MeJP NA NA +MJ055230 3',4',5,5',7,8-Hexahydroxyflavone; Hexa-Me ether C21H22O8 402.131467 NA MeJP NA NA +MJ055231 3',4',5,6,7,8-Hexamethoxyflavone C21H22O8 402.131467 NA MeJP NA NA +MJ055232 3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(Methylpropenoyl) 9-Ac C21H22O8 402.131467 NA MeJP NA NA +MJ055233 3,3',4',5,5',7-Hexahydroxyflavone; Hexa-Me ether C21H22O8 402.131467 NA MeJP NA NA +MJ055234 3,3',4',5,6,7-Hexahydroxyflavone; Hexa-Me ether C21H22O8 402.131467 NA MeJP NA NA +MJ055235 3,3',4',5,6,8-Hexahydroxyflavone; Hexa-Me ether C21H22O8 402.131467 NA MeJP NA NA +MJ055236 3,3',4',5,7,8-Hexahydroxyflavone; Hexa-Me ether C21H22O8 402.131467 NA MeJP NA NA +MJ055237 3,4',5,6,7,8-Hexahydroxyflavone; Hexa-Me ether C21H22O8 402.131467 NA MeJP NA NA +MJ055238 3,4',5,7,8-Pentahydroxyflavanone, 3-Pentanoyl, 8-Me ether C21H22O8 402.131467 NA MeJP NA NA +MJ055239 3-(3-Hydroxyphenyl)-1H-2-benzopyran-1-one; 3S,4-Dihydro, O-?-D-glucopyranoside C21H22O8 402.131467 NA MeJP NA NA +MJ055240 5,7-Dihydroxyflavanone, 7-O-?-L-Rhamnopyranoside C21H22O8 402.131467 NA MeJP NA NA +MJ055241 5,8,9-Trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-(2-Methylpropenoyl), 8-Ac C21H22O8 402.131467 NA MeJP NA NA +MJ055242 7-Hydroxyflavanone, O-?-D-Glucopyranoside C21H22O8 402.131467 NA MeJP NA NA +MJ055243 Aloin, 1'-Deoxy C21H22O8 402.131467 NA MeJP NA NA +MJ055244 Gorgiacerodiol; 11-Deoxy, 12-ketone, 3?,4?:5?,6?-diepoxide C21H22O8 402.131467 NA MeJP NA NA +MJ055245 Graminone A; 4'-Methoxy C21H22O8 402.131467 NA MeJP NA NA +MJ055246 Isopseudocyphellarin A C21H22O8 402.131467 NA MeJP NA NA +MJ055247 Khellactone, 10-O-(2,3-Epoxy-2-methylbutanoyl), 9-Ac C21H22O8 402.131467 NA MeJP NA NA +MJ055248 Khellactone, 9-O-(2?,3?-Epoxy-2-methylbutanoyl), 10-Ac C21H22O8 402.131467 NA MeJP NA NA +MJ055249 Monoepoxylignanolide; 5'-Methoxy C21H22O8 402.131467 NA MeJP NA NA +MJ055250 Pseudocyphellarin B; 1''-Aldehyde C21H22O8 402.131467 NA MeJP NA NA +MJ055251 Pseudopterogorgia lactone C21H22O8 402.131467 NA MeJP NA NA +MJ055252 Secondifloran, 5-Hydroxy C21H22O8 402.131467 NA MeJP NA NA +MJ055253 Wailupemycin A C21H22O8 402.131467 NA MeJP NA NA +C04007 Flavanone 7-O-beta-D-glucoside C21H22O8 402.1315 NA KEGG NA NA +C04008 Fucosyl-asialo-agalacto-fetuin C21H22O8 402.1315 NA KEGG NA NA +C04010 Glycoprotein phospho-D-mannose C6H12O9PR 402.1315 NA KEGG NA NA +C04013 Multi-methyl-branched acyl-CoA C22H35N7O17P3SR 402.1315 NA KEGG NA NA +C09262 (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin C21H22O8 402.1315 NA KEGG NA NA +C10112 Nobiletin C21H22O8 402.1315 NA KEGG NA NA +C14943 2-(2,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one C21H22O8 402.1315 NA KEGG NA NA +C14944 2-(3,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one C21H22O8 402.1315 NA KEGG NA NA +PJ000924 GSCH C14H22N6O6S 402.1322 NA PeJP NA NA +PJ000925 GPDD C15H22N4O9 402.1387 NA PeJP NA NA +MJ055254 1-Bromo-4,6-eudesmanediol, 4,6-Di-Ac C19H31BrO4 402.140572 NA MeJP NA NA +MJ055255 Thioridazine, S2,S2-Dioxide C21H26N2O2S2 402.143569 NA MeJP NA NA +FLIAAANP0012 Ulexone B C25H22O5 402.14672 128988-21-6 knapsack NA NA +FLNAA9NP0002 cis-and-trans-Inophyllolide;Inophyllum E C25H22O5 402.14672 17312-31-1 knapsack NA NA +FLNAA9NP0005 Tomentolide A C25H22O5 402.14672 22562-07-8 knapsack NA NA +MJ055256 Euchrestafuran C25H22O5 402.146723 NA MeJP NA NA +MJ055257 Inophyllum A; 10-Epimer, 12-ketone C25H22O5 402.146723 NA MeJP NA NA +MJ055258 Inophyllum A; 11-Epimer, 12-ketone C25H22O5 402.146723 NA MeJP NA NA +MJ055259 Inophyllum A; 12-Ketone C25H22O5 402.146723 NA MeJP NA NA +MJ055260 Ohioensin C; 14?-Alcohol, 1,3-di-Me ether C25H22O5 402.146723 NA MeJP NA NA +MJ055261 Ormosidin C25H22O5 402.146723 NA MeJP NA NA +MJ055262 Tomentolide A C25H22O5 402.146723 NA MeJP NA NA +MJ055263 Ulexin B C25H22O5 402.146723 NA MeJP NA NA +MJ055264 Ulexone B C25H22O5 402.146723 NA MeJP NA NA +MJ055265 Phenaline C19H28Cl2N2O3 402.147698 NA MeJP NA NA +MJ055266 2-O-?-D-Xylopyranosyl-D-mannose; ?-Pyranose-form, Benzyl glycoside C18H26O10 402.152597 NA MeJP NA NA +MJ055267 3-Hydroxy-1-(2,4,6-trihydroxyphenyl)-1-butanone, 2',4'-Di-Me ether, 3-O-?-D-alloside C18H26O10 402.152597 NA MeJP NA NA +MJ055268 3-Hydroxy-1-(2,4,6-trihydroxyphenyl)-1-butanone, 2',4'-Di-Me ether, 3-O-?-D-glucopyranoside C18H26O10 402.152597 NA MeJP NA NA +MJ055269 4-O-?-D-Galactopyranosyl-D-xylose; ?-Pyranose-form, Benzyl glycoside C18H26O10 402.152597 NA MeJP NA NA +MJ055270 6-O-?-D-Xylopyranosyl-D-glucose; ?-Pyranose-form, Benzyl glycoside C18H26O10 402.152597 NA MeJP NA NA +MJ055271 6-O-?-L-Arabinopyranosyl-D-glucose; ?-Pyranose-form, Benzyl glycoside C18H26O10 402.152597 NA MeJP NA NA +MJ055272 Benzyl alcohol; O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C18H26O10 402.152597 NA MeJP NA NA +MJ055273 Benzyl alcohol; O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C18H26O10 402.152597 NA MeJP NA NA +MJ055274 Benzyl alcohol; O-[?-D-Xylopyranosyl-(1?6)-D-glucopyranoside] C18H26O10 402.152597 NA MeJP NA NA +MJ055275 Benzyl alcohol; O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C18H26O10 402.152597 NA MeJP NA NA +MJ055276 Benzyl alcohol; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C18H26O10 402.152597 NA MeJP NA NA +PJ000926 SPPC C16H26N4O6S 402.1573 NA PeJP NA NA +MJ055277 11,12-Dihydroindolo[2,3-a]carbazole; N-(6-Deoxy-?-D-gulopyranosyl) C24H22N2O4 402.157957 NA MeJP NA NA +MJ055278 11,12-Dihydroindolo[2,3-a]carbazole; N-?-L-Rhamnopyranosyl C24H22N2O4 402.157957 NA MeJP NA NA +MJ055279 ?-[2-Cyano-5-(3-pyridinylmethoxy)phenoxy]-2-methylbenzenebutanoic acid C24H22N2O4 402.157957 NA MeJP NA NA +MJ055280 Ascochlorin; 8',9'-Didehydro C23H27ClO4 402.159787 NA MeJP NA NA +MJ055281 Cylindrochlorin C23H27ClO4 402.159787 NA MeJP NA NA +MJ055282 Delmadinone; 17-Ac C23H27ClO4 402.159787 NA MeJP NA NA +MJ055283 Antibiotic FE 399 C18H30N2O4S2 402.164698 NA MeJP NA NA +FL1CAFNR0001 Antiarone K C22H26O7 402.16785 137196-97-5 knapsack NA NA +FLIDHXNI0009 Sphenostylin D;(6aS,11aS)-3,6a-Dihydroxy-8,9-dimethoxy-10-(3-hydroxy-3-methylbutyl)pterocarpan C22H26O7 402.16785 115610-60-1 knapsack NA NA +MJ055284 1-(3,4-Dimethoxyphenyl)-2-methyl-3-oxobutyl 3,4-dimethoxybenzoate C22H26O7 402.167853 NA MeJP NA NA +MJ055285 13,14-Dihydroxycacalol; 9-Propanoyl, 13,14-di-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055286 15,16-Epoxy-2,7-dihydroxy-3,13(16),14-clerodatrien-18,19-olide, 7-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055287 15,16-Epoxy-3,13(16),14-clerodatrien-20,12-olide-18,19-dioic acid, Di-Me ester C22H26O7 402.167853 NA MeJP NA NA +MJ055288 15,16-Epoxy-6,18,19-trihydroxy-3,13(16),14-clerodatrien-20,12-olide, 18-Aldehyde, 19-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055289 17(15?16):18(4?3)-Bisabeo-3,6,7,12-tetrahydroxy-4(19),8,12,16-abietatetraene-11,14-dione, 3-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055290 2,14-Dihydroxycacalol, 9-O-Propanoyl, 2,14-di-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055291 2,14-Dihydroxycacalol; 2?-form, 9-O-Propanoyl, 2,14-di-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055292 2,3-Dihydro-1-hydroxy-5-methoxy-2-(1-methylethyl)-3-(2,4,5-trimethoxyphenyl)-1H-indene-4,7-dione C22H26O7 402.167853 NA MeJP NA NA +MJ055293 2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-(4-Hydroxy-2-methyl-2Z-butenoyl), 2-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055294 3'-O-Demethyldenudanolide B; 3',4'-Di-Me ether, 5'-methoxy C22H26O7 402.167853 NA MeJP NA NA +MJ055295 3,3',4,4',5'-Pentahydroxylignan-9,9'-olide, 3,3',4',5'-Tetra-Me ether C22H26O7 402.167853 NA MeJP NA NA +MJ055296 3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3,3',4',5-Tetra-Me ether C22H26O7 402.167853 NA MeJP NA NA +MJ055297 3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3,3',4,4'-Tetra-Me ether C22H26O7 402.167853 NA MeJP NA NA +MJ055298 3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 7'-Ketone, 3,3',4,4'-tetra-Me ether C22H26O7 402.167853 NA MeJP NA NA +MJ055299 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether, 9-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055300 3,4-Epoxy-8,9-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-Tigloyl, 8-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055301 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methyl-4-oxo-2E-butenoyl), 3-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055302 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(3-Acetoxy-2-methylenebutanoyl) C22H26O7 402.167853 NA MeJP NA NA +MJ055303 4,18:15,16-Diepoxy-6,19-dihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone, 19-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055304 4,8,9-Trihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide, 9-Angeloyl, 8-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055305 5,6,7,8-Tetrahydro-5-hydroxy-2-methoxy-6,7-dimethyl-8-(2,4,5-trimethoxyphenyl)-1,4-naphthalenedione C22H26O7 402.167853 NA MeJP NA NA +MJ055306 6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 6-(3-Methyl-2-butenoyl), 8-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055307 6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 6-Angeloyl, 8-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055308 6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 6-Tigloyl, 8-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055309 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 6-Angeloyl, 9-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055310 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 9-Angeloyl, 6-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055311 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 6-Angeloyl, 9-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055312 6-Hydroxy-9,9-dimethyl-5-(2-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]dioxolo[3',4':4,5]furo[2,3-f][1]benzopyran-3-one C22H26O7 402.167853 NA MeJP NA NA +MJ055313 6-Hydroxy-9,9-dimethyl-5-(3-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]-dioxolo[3',4':4,5]furo[2,3-f][1]benzopyran-3-one C22H26O7 402.167853 NA MeJP NA NA +MJ055314 7,12,20-Trihydroxy-11,14-dioxo-8,12-abietadien-19-oic acid; 7?-form, 19?20 Lactone, 7-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055315 8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 11-Angeloyl, 8-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055316 8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8-Angeloyl, 11-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055317 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 15-Angeloyl, 8-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055318 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 15-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055319 8,9-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-(2-Acetoxymethyl-2E-butenoyl) C22H26O7 402.167853 NA MeJP NA NA +MJ055320 8,9-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 9-O-(2-Acetoxymethyl-2E-butenoyl) C22H26O7 402.167853 NA MeJP NA NA +MJ055321 8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2-butenoyl)(E-) C22H26O7 402.167853 NA MeJP NA NA +MJ055322 8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-2-methyl-2-butenoyl)(E-) C22H26O7 402.167853 NA MeJP NA NA +MJ055323 9-Hydroxylasiolaenolide; 9-Aldehyde, 5'-acetoxy C22H26O7 402.167853 NA MeJP NA NA +MJ055324 Armenin B; 7,8-Diepimer, 5-methoxy C22H26O7 402.167853 NA MeJP NA NA +MJ055325 Binankadsurin A C22H26O7 402.167853 NA MeJP NA NA +MJ055326 Chrysophyllin A C22H26O7 402.167853 NA MeJP NA NA +MJ055327 Clusin C22H26O7 402.167853 NA MeJP NA NA +MJ055328 Divaricatic acid ; 2-Me ether C22H26O7 402.167853 NA MeJP NA NA +MJ055329 Dunnianin; 7-Ketone C22H26O7 402.167853 NA MeJP NA NA +MJ055330 Eusiderin M C22H26O7 402.167853 NA MeJP NA NA +MJ055331 Falconensin A; 1',2'-Dihydro, bisdechloro, 4''-O-de-Me C22H26O7 402.167853 NA MeJP NA NA +MJ055332 Furaquinocin A C22H26O7 402.167853 NA MeJP NA NA +MJ055333 Gaultherin C C22H26O7 402.167853 NA MeJP NA NA +MJ055334 Glaucocalactone C22H26O7 402.167853 NA MeJP NA NA +MJ055335 Gmelinol C22H26O7 402.167853 NA MeJP NA NA +MJ055336 Gorgiacerodiol; 11-Me ether C22H26O7 402.167853 NA MeJP NA NA +MJ055337 Gracillisquinone A C22H26O7 402.167853 NA MeJP NA NA +MJ055338 Gracillisquinone B C22H26O7 402.167853 NA MeJP NA NA +MJ055339 Homoarenol C22H26O7 402.167853 NA MeJP NA NA +MJ055340 Imbricaric acid; O-De-Me C22H26O7 402.167853 NA MeJP NA NA +MJ055341 Isogorgiacerodiol; 9-Me ether C22H26O7 402.167853 NA MeJP NA NA +MJ055342 Macrophyllin C22H26O7 402.167853 NA MeJP NA NA +MJ055343 Magnolin; 3-O-De-Me C22H26O7 402.167853 NA MeJP NA NA +MJ055344 Magnolin; 7'-Epimer, 4'-O-de-Me C22H26O7 402.167853 NA MeJP NA NA +MJ055345 Pitholide A C22H26O7 402.167853 NA MeJP NA NA +MJ055346 Plectrin C22H26O7 402.167853 NA MeJP NA NA +MJ055347 Praderin C22H26O7 402.167853 NA MeJP NA NA +MJ055348 Pseudoanisatin; 4-Benzoyl C22H26O7 402.167853 NA MeJP NA NA +MJ055349 Sphaerophorin; O-De-Me C22H26O7 402.167853 NA MeJP NA NA +MJ055350 Sphenostylin C; 8-Me ether C22H26O7 402.167853 NA MeJP NA NA +MJ055351 Stenosporic acid; O-De-Me C22H26O7 402.167853 NA MeJP NA NA +MJ055352 Tenellic acid B; 1''-Me ether C22H26O7 402.167853 NA MeJP NA NA +MJ055353 Teumicropin; 6-Ketone, 3-Ac C22H26O7 402.167853 NA MeJP NA NA +MJ055354 Woorenogenin C22H26O7 402.167853 NA MeJP NA NA +MJ055355 7-(5-Deoxyribofuranosyl)-N,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine C23H22N4O3 402.16919 NA MeJP NA NA +MJ055356 Ajmaline; 17-O-Chloroacetyl C22H27ClN2O3 402.17102 NA MeJP NA NA +MJ055357 Schizokinen A C16H26N4O8 402.175063 NA MeJP NA NA +PJ000927 GPTE C16H26N4O8 402.1751 NA PeJP NA NA +MJ055358 3-Bromo-13(16)-labdene-8,14,15-triol C20H35BrO3 402.176957 NA MeJP NA NA +8050 synthetic peptide PWT 402.178 antioxidative Inhouse_peptide NA peptide +MJ055359 3,4,11-Trihydroxy-6-eudesmen-8-one, 3-(3-Chloro-2-hydroxy-2-methylbutanoyl) C20H31ClO6 402.180916 NA MeJP NA NA +MJ055360 Clocinizine C26H27ClN2 402.186276 NA MeJP NA NA +PJ000928 QQQ C15H26N6O7 402.1863 NA PeJP NA NA +MJ055361 Ethinylestradiol; 3-(2-Propanesulfonate) C23H30O4S 402.18648 NA MeJP NA NA +MJ055362 2-(5-Hydroxy-2-pentenyl)-3-oxocyclopentaneacetic acid, O-?-D-Glucopyranoside, Me ester C19H30O9 402.188982 NA MeJP NA NA +MJ055363 3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[6-O-Malonyl-?-D-glucopyranoside] C19H30O9 402.188982 NA MeJP NA NA +MJ055364 5,6-Epoxy-2,3-dihydroxy-7-megastigmen-9-one, 3-O-?-D-Glucopyranoside C19H30O9 402.188982 NA MeJP NA NA +MJ055365 6,9,11-Trihydroxy-4,7-megastigmadien-3-one, 11-O-?-D-Glucopyranoside C19H30O9 402.188982 NA MeJP NA NA +MJ055366 9,13-Dihydroxy-4-megastigmen-3-one; 13-Carboxylic acid, 9-O-?-D-glucopyranoside C19H30O9 402.188982 NA MeJP NA NA +MJ055367 Aucubigenin; 6-Butyl ether, 1-O-?-D-glucopyranoside C19H30O9 402.188982 NA MeJP NA NA +MJ055368 Aucubigenin; 6-Epimer, 6-butyl ether,1-O-?-D-glucopyranoside C19H30O9 402.188982 NA MeJP NA NA +PJ000929 PTW C20H26N4O5 402.1903 NA PeJP NA NA +PJ000930 GPVM C17H30N4O5S 402.1937 NA PeJP NA NA +MJ055369 Aurantiamide C25H26N2O3 402.194342 NA MeJP NA NA +PJ000931 NNR C14H26N8O6 402.1975 NA PeJP NA NA +PJ000932 GGNR C14H26N8O6 402.1976 NA PeJP NA NA +C08173 Cortisone acetate C23H30O6 402.2042 NA KEGG NA NA +C08180 Prednisolone acetate C23H30O6 402.2042 NA KEGG NA NA +C08181 Transferred to D00981 C23H30O6 402.2042 NA KEGG NA NA +C16766 Citreoviridin C23H30O6 402.2042 NA KEGG NA NA +MJ055370 1,3,5,7(14),10-Bisabolapentaene-1,2,4,8-tetrol; 2-Me ether, 8-angeloyl, 4-Ac C23H30O6 402.204238 NA MeJP NA NA +MJ055371 11,12-Epoxy-7-drimene-6,9,11-triol, 11-Ketone (lactone), 6-O-(2E,4E,6E-octatrienoyl) C23H30O6 402.204238 NA MeJP NA NA +MJ055372 11,12-Epoxy-7-drimene-6,9,11-triol, 11-Ketone (lactone), 6-O-(2Z,4E,6E-octatrienoyl) C23H30O6 402.204238 NA MeJP NA NA +MJ055373 14,15-Epoxy-3,10,16-trihydroxy-19-norbufa-20,22-dienolide C23H30O6 402.204238 NA MeJP NA NA +MJ055374 15,16-Epoxy-20-hydroxy-12-oxo-8(17),13(16),14-labdatrien-19-oic acid; 20-Ac, Me ester C23H30O6 402.204238 NA MeJP NA NA +MJ055375 15,16-Epoxy-7-hydroxy-2-oxo-3,13(16),14-clerodatrien-20-oic acid, 7-Ac, Me ester C23H30O6 402.204238 NA MeJP NA NA +MJ055376 17,21-Dihydroxypregn-4-ene-3,11,20-trione, 21-Ac C23H30O6 402.204238 NA MeJP NA NA +MJ055377 2,14-Dihydroxycacalol; 2?-form, 14-(2-Methylbutanoyl), 9-propanoyl C23H30O6 402.204238 NA MeJP NA NA +MJ055378 2,14-Dihydroxycacalol; 2?-form, 14-(3-Methylbutanoyl), 9-propanoyl C23H30O6 402.204238 NA MeJP NA NA +MJ055379 2,3',4',5,5'-Pentahydroxy-7,7'-epoxylignan, Penta-Me ether C23H30O6 402.204238 NA MeJP NA NA +MJ055380 2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide C23H30O6 402.204238 NA MeJP NA NA +MJ055381 2,3,14-Trihydroxy-19-oxocarda-5,20(22)-dienolide C23H30O6 402.204238 NA MeJP NA NA +MJ055382 2,3,14-Trihydroxy-19-oxocarda-7,20(22)-dienolide C23H30O6 402.204238 NA MeJP NA NA +MJ055383 2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4,5-trihydroxyphenyl)propane; Penta-Me ether C23H30O6 402.204238 NA MeJP NA NA +MJ055384 3,14-Dihydroxy-11,12-dioxocard-20(22)-enolide C23H30O6 402.204238 NA MeJP NA NA +MJ055385 3,3',4,4',5-Pentahydroxy-7,7'-epoxylignan, Penta-Me ether C23H30O6 402.204238 NA MeJP NA NA +MJ055386 3,5,14,19-Tetrahydroxycarda-16,20(22)-dienolide, 19-Aldehyde C23H30O6 402.204238 NA MeJP NA NA +MJ055387 3,6-Dihydroxyfuranoeremophilan-9-one, 3-(2-Methyl-2-propenoyl), 6-(2-methylpropanoyl) C23H30O6 402.204238 NA MeJP NA NA +MJ055388 4,6-Dihydroxy-7-daucen-9-one, 6-(4-Hydroxy-3-methoxybenzoyl) C23H30O6 402.204238 NA MeJP NA NA +MJ055389 4,6-Dihydroxy-8-daucen-10-one, 6-(4-Hydroxy-3-methoxybenzoyl) C23H30O6 402.204238 NA MeJP NA NA +MJ055390 6-Methoxymarmin; 6',7'-O-Isopropylidene C23H30O6 402.204238 NA MeJP NA NA +MJ055391 6-Protoilludene-5,8,14-triol, 5-O-(2,4-Dihydroxy-6-methylbenzoyl) C23H30O6 402.204238 NA MeJP NA NA +MJ055392 7,14-Dihydroxy-11,16-dioxo-8-apianen-20,6-olide, 7-Et ether C23H30O6 402.204238 NA MeJP NA NA +MJ055393 7-Protoilludene-5,12,14-triol, 5-(2,4-Dihydroxy-6-methylbenzoyl) C23H30O6 402.204238 NA MeJP NA NA +MJ055394 7-Protoilludene-5,6,14-triol, 5-(2,4-Dihydroxy-6-methylbenzoyl) C23H30O6 402.204238 NA MeJP NA NA +MJ055395 Acalycixeniolide E C23H30O6 402.204238 NA MeJP NA NA +MJ055396 Antibiotic K76 C23H30O6 402.204238 NA MeJP NA NA +MJ055397 Aurein C23H30O6 402.204238 NA MeJP NA NA +MJ055398 Citreoviridin C23H30O6 402.204238 NA MeJP NA NA +MJ055399 Cochleamycin A; O-De-Ac, 10-O-(2-methylpropanoyl) C23H30O6 402.204238 NA MeJP NA NA +MJ055400 Deoxyschizandrin; O3-De-Me C23H30O6 402.204238 NA MeJP NA NA +MJ055401 Deoxyschizandrin; O5-De-Me C23H30O6 402.204238 NA MeJP NA NA +MJ055402 Fenprostalene C23H30O6 402.204238 NA MeJP NA NA +MJ055403 Gomisin K1 C23H30O6 402.204238 NA MeJP NA NA +MJ055404 Isoapetalic acid; Diastereoisomer, Me ester C23H30O6 402.204238 NA MeJP NA NA +MJ055405 Prednisolone; 21-Ac C23H30O6 402.204238 NA MeJP NA NA +MJ055406 Sequoiatone A C23H30O6 402.204238 NA MeJP NA NA +MJ055407 Stachybotrydial; 7?-Hydroxy C23H30O6 402.204238 NA MeJP NA NA +MJ055408 Verrucosidin; 3-Demethyl C23H30O6 402.204238 NA MeJP NA NA +MJ055409 Virolongin A C23H30O6 402.204238 NA MeJP NA NA +PJ000933 PMR C16H30N6O4S 402.2049 NA PeJP NA NA +PJ000934 AALE C17H30N4O7 402.2115 NA PeJP NA NA +MJ055410 6-Bromo-5,9-heneicosadienoic acid C21H39BrO2 402.213343 NA MeJP NA NA +8319 Dvl protein binding VWV 402.215 Short chain acyl carnitines ;SYN:Isovaleryl L-carnitine; IsovalerylcarnitineH2Blood Inhouse_peptide NA peptide +MJ055411 Trandolaprilat C22H30N2O5 402.215472 NA MeJP NA NA +MJ055412 Antibiotic FR 112123 C16H30N6O6 402.222682 NA MeJP NA NA +MJ055413 Threonylthreonylargininal; N-Ac C16H30N6O6 402.222682 NA MeJP NA NA +PJ000935 VER C16H30N6O6 402.2227 NA PeJP NA NA +MJ055414 Spiroxasone C24H34O3S 402.222865 NA MeJP NA NA +PJ000936 VVW C21H30N4O4 402.2267 NA PeJP NA NA +MJ055415 Cinitapride C21H30N4O4 402.226705 NA MeJP NA NA +MJ055416 Smenospongine; N-(Carboxymethyl) C23H32NO5 402.228048 NA MeJP NA NA +EUR498 8(9)-EET F5 F5 402.238125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR498 8(9)-EET F5 NA 402.238125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR498 8(9)-EET F5 F5 402.238125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR498 8(9)-EET F5 NA 402.238125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR498 8(9)-EET F5 F5 402.238125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR498 8(9)-EET F5 NA 402.238125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR498 8(9)-EET F5 F5 402.238125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR498 8(9)-EET F5 F5 402.238125 standards wishlist analysés sur QTOF HMDB NA NA +EUR498 8(9)-EET F5 F5 402.238125 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR498 8(9)-EET F5 NA 402.238125 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR498 8(9)-EET F5 F5 402.238125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR498 8(9)-EET F5 F5 402.238125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C13154 Dehydrocholic acid C24H34O5 402.2406 NA KEGG NA NA +C13155 Transferred to D01694 C24H34O5 402.2406 NA KEGG NA NA +C13156 Lentinan C24H34O5 402.2406 NA KEGG NA NA +C13157 Transferred to D01696 C24H34O5 402.2406 NA KEGG NA NA +C13158 Transferred to D01697 C24H34O5 402.2406 NA KEGG NA NA +C13159 Transferred to D01698 C24H34O5 402.2406 NA KEGG NA NA +C13160 Transferred to D01699 C24H34O5 402.2406 NA KEGG NA NA +C13161 Transferred to D01700 C24H34O5 402.2406 NA KEGG NA NA +C13162 Transferred to D01701 C24H34O5 402.2406 NA KEGG NA NA +C13163 Transferred to D01702 C24H34O5 402.2406 NA KEGG NA NA +C13164 Transferred to D01703 C24H34O5 402.2406 NA KEGG NA NA +C13165 Transferred to D01704 C24H34O5 402.2406 NA KEGG NA NA +C13166 Transferred to D01705 C24H34O5 402.2406 NA KEGG NA NA +C16962 Gamabufogenin C24H34O5 402.2406 NA KEGG NA NA +C17072 Telocinobufagin C24H34O5 402.2406 NA KEGG NA NA +MJ055417 1,4,6,15-Eudesmanetetrol, 15-Cinnamoyl (E-) C24H34O5 402.240624 NA MeJP NA NA +MJ055418 1-(3-Acetyl-2,4,6-trihydroxy-5-methylphenyl)-2-methyl-1-butanone; 4-O-(3,7-Dimethyl-2,6-octadienyl)(E-) C24H34O5 402.240624 NA MeJP NA NA +MJ055419 12-(Acetyloxy)-10-[(acetyloxy)methylene]-6-methyl-2-(4-methyl-3-pentenyl)-2,6,11-dodecatrienal C24H34O5 402.240624 NA MeJP NA NA +MJ055420 13,16-Epoxy-2-hydroxy-7,13(16),14-labdatrien-18-oic acid; 2?-form, O-(2-Methylpropanoyl) C24H34O5 402.240624 NA MeJP NA NA +MJ055421 14(17)-Vouacapene-6,7-diol, 4?,17-Dihydro, di-Ac C24H34O5 402.240624 NA MeJP NA NA +MJ055422 15,16-Epoxy-3,13(16),14-clerodatriene-6,7-diol, Di-Ac C24H34O5 402.240624 NA MeJP NA NA +MJ055423 15,16-Epoxy-6-hydroxy-7,13(16),14-labdatrien-17-oic acid; 6?-form, 6-(2-Methylpropanoyl) C24H34O5 402.240624 NA MeJP NA NA +MJ055424 15,16-Epoxy-8(17),13(16),14-labdatriene-7,18-diol, Di-Ac C24H34O5 402.240624 NA MeJP NA NA +MJ055425 17,18-Epoxy-1(19),6,10(17),13-xenicatetraene-11,18-diol, Di-Ac C24H34O5 402.240624 NA MeJP NA NA +MJ055426 18-Hydroxy-3,13(16),14-clerodatrien-2-one; 19-Hydroxy, di-Ac C24H34O5 402.240624 NA MeJP NA NA +MJ055427 22-Deacetylyanuthone A; 15-Ac C24H34O5 402.240624 NA MeJP NA NA +MJ055428 22-Deacetylyanuthone A; 22-Ac C24H34O5 402.240624 NA MeJP NA NA +MJ055429 3,11,14-Trihydroxybufa-20,22-dienolide C24H34O5 402.240624 NA MeJP NA NA +MJ055430 3,14,15-Trihydroxybufa-20,22-dienolide C24H34O5 402.240624 NA MeJP NA NA +MJ055431 3,14,16-Trihydroxybufa-20,22-dienolide C24H34O5 402.240624 NA MeJP NA NA +MJ055432 3,14,19-Trihydroxybufa-20,22-dienolide C24H34O5 402.240624 NA MeJP NA NA +MJ055433 3,4,14-Trihydroxybufa-20,22-dienolide C24H34O5 402.240624 NA MeJP NA NA +MJ055434 3,5,14-Trihydroxybufa-20,22-dienolide C24H34O5 402.240624 NA MeJP NA NA +MJ055435 3,6-Vouacapanediol, Di-Ac C24H34O5 402.240624 NA MeJP NA NA +MJ055436 3,7,14-Trihydroxybufa-20,22-dienolide C24H34O5 402.240624 NA MeJP NA NA +MJ055437 5,12-Dihydroxy-4,10-seco-2,13(15),17-spatatrien-10-one, Di-Ac C24H34O5 402.240624 NA MeJP NA NA +MJ055438 5,13-Dihydroxy-4(20),11-taxadien-10-one, Di-Ac C24H34O5 402.240624 NA MeJP NA NA +MJ055439 6,7-Epoxy-8(14),15-isopimaradiene-1,11-diol, Di-Ac C24H34O5 402.240624 NA MeJP NA NA +MJ055440 7,8-Epoxy-3,12(18),13-dolabellatriene-19,20-diol, Di-Ac C24H34O5 402.240624 NA MeJP NA NA +MJ055441 8-Daucene-4,6-diol, 6-(3,4-Dimethoxybenzoyl) C24H34O5 402.240624 NA MeJP NA NA +MJ055442 8-Daucene-5,7-diol, 7-(3,4-Dimethoxybenzoyl) C24H34O5 402.240624 NA MeJP NA NA +MJ055443 9,10-Dihydroxy-3-longipinen-5-one, 10-Angeloyl, 9-(2-methylpropanoyl) C24H34O5 402.240624 NA MeJP NA NA +MJ055444 Dehydrocholic acid C24H34O5 402.240624 NA MeJP NA NA +MJ055445 Eptaloprost C24H34O5 402.240624 NA MeJP NA NA +MJ055446 Fukurinal C24H34O5 402.240624 NA MeJP NA NA +MJ055447 Furanoeremophilane-3,6-diol, 3-(2-Methyl-2-propenoyl), 6-(3-methylbutanoyl) C24H34O5 402.240624 NA MeJP NA NA +MJ055448 Furanoeremophilane-3,6-diol, 3-(3-Methylbutanoyl), 6-(2-methyl-2-propenoyl) C24H34O5 402.240624 NA MeJP NA NA +MJ055449 Hexanorcucurbitacin F; 3-Ketone C24H34O5 402.240624 NA MeJP NA NA +MJ055450 Lucidone A C24H34O5 402.240624 NA MeJP NA NA +MJ055451 Macrolactin A C24H34O5 402.240624 NA MeJP NA NA +MJ055452 Metachromin D C24H34O5 402.240624 NA MeJP NA NA +MJ055453 Polyfibrospongol A; 14-Hydroxy C24H34O5 402.240624 NA MeJP NA NA +MJ055454 Udoteal C24H34O5 402.240624 NA MeJP NA NA +MJ055455 Xeniculin; 8-Deacetoxy, 13,14-deepoxy C24H34O5 402.240624 NA MeJP NA NA +MJ055456 Merodesmosine C18H34N4O6 402.247834 NA MeJP NA NA +PJ000937 GTLL C18H34N4O6 402.2479 NA PeJP NA NA +MJ055457 Magnolol; Bornyl ether C28H34O2 402.25588 NA MeJP NA NA +MJ055458 Piperitylmagnolol C28H34O2 402.25588 NA MeJP NA NA +PJ000938 QKK C17H34N6O5 402.2591 NA PeJP NA NA +MJ055459 4,11-Eudesmanediol, 11-O-?-D-Glucopyranoside C21H38O7 402.261753 NA MeJP NA NA +MJ055460 4,11-Eudesmanediol, 4-O-?-D-Glucopyranoside C21H38O7 402.261753 NA MeJP NA NA +MJ055461 Erythronolide A; 12-Deoxy C21H38O7 402.261753 NA MeJP NA NA +MJ055462 Norcaperatic acid; 1-Me ester C21H38O7 402.261753 NA MeJP NA NA +MJ055463 Erythronolide B C21H38O7 402.261753 NA MeJP NA NA +C06635 Erythronolide B C21H38O7 402.2618 NA KEGG NA NA +MJ055464 Bis(3-oxoundecyl) disulfide C22H42O2S2 402.262621 NA MeJP NA NA +MJ055465 Buxpapine C27H34N2O 402.267113 NA MeJP NA NA +MJ055466 Broussonetine I C20H38N2O6 402.272986 NA MeJP NA NA +HMDB00541 7b-Hydroxy-3-oxo-5b-cholanoic acid C25H38O4 402.277008 NA HMDB2010 NA NA +HMDB11557 MG(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C25H38O4 402.277008 NA HMDB2010 NA NA +HMDB11587 MG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0/0:0) C25H38O4 402.277008 NA HMDB2010 NA NA +MJ055467 12,16-Dihydroxy-17-scalaren-25,24-olide C25H38O4 402.277009 NA MeJP NA NA +MJ055468 12,19-Dihydroxy-17-scalaren-25,24-olide; 12?-form C25H38O4 402.277009 NA MeJP NA NA +MJ055469 12,20-Dihydroxy-17-scalaren-25,24-olide; 12?-form C25H38O4 402.277009 NA MeJP NA NA +MJ055470 12,25-Dihydroxy-16-scalaren-24,25-olide C25H38O4 402.277009 NA MeJP NA NA +MJ055471 12-Hydroxy-16-kauren-19-oic acid, 12-(3-Methylbutanoyl) C25H38O4 402.277009 NA MeJP NA NA +MJ055472 13,16-Epoxy-25-hydroxy-17-cheilanthen-19,25-olide C25H38O4 402.277009 NA MeJP NA NA +MJ055473 13-Hydroxy-16-atisen-19-oic acid, 3-Methylbutanoyl C25H38O4 402.277009 NA MeJP NA NA +MJ055474 15,16-Epoxy-7,13(16),14-clerodatriene-3,18-diol, 18-(2-Methylbutanoyl) C25H38O4 402.277009 NA MeJP NA NA +MJ055475 15,16-Epoxy-7,13(16),14-clerodatriene-3,18-diol, 18-(3-Methylbutanoyl) C25H38O4 402.277009 NA MeJP NA NA +MJ055476 15-Hydroxy-16-kauren-19-oic acid, 2-Methylbutanoyl C25H38O4 402.277009 NA MeJP NA NA +MJ055477 15-Hydroxy-16-kauren-19-oic acid, 3-Methylbutanoyl C25H38O4 402.277009 NA MeJP NA NA +MJ055478 16-Kaurene-3,15-diol, 16,17-Epoxide, 15-angeloyl C25H38O4 402.277009 NA MeJP NA NA +MJ055479 16-Kaurene-3,19-diol, 19-Carboxylic acid, 3-(3-methylbutanoyl) C25H38O4 402.277009 NA MeJP NA NA +MJ055480 16-Kaurene-3,9,15-triol, 15-Angeloyl C25H38O4 402.277009 NA MeJP NA NA +MJ055481 18-Hydroxy-16-kauren-19-oic acid; ent-form, 3-Methylbutanoyl C25H38O4 402.277009 NA MeJP NA NA +MJ055482 24,25-Epoxy-16-scalarene-3,12,25-triol, 3-Ketone C25H38O4 402.277009 NA MeJP NA NA +MJ055483 3,12-Dihydroxy-17-scalaren-25,24-olide C25H38O4 402.277009 NA MeJP NA NA +MJ055484 3,12-Dihydroxy-4,4,14-trimethylpregna-7,9(11)-diene-20-carboxylic acid C25H38O4 402.277009 NA MeJP NA NA +MJ055485 3-Hydroxy-4,4,14-trimethylpregna-7,9(11)-diene-20-carboxylic acid, 12?-Hydroxy C25H38O4 402.277009 NA MeJP NA NA +MJ055486 7,13-Labdadiene-2,15-diol, 15-Carboxylic acid, 2-angeloyl C25H38O4 402.277009 NA MeJP NA NA +MJ055487 7,13-Labdadiene-3,15-diol, 15-Carboxylic acid, 3-tigloyl C25H38O4 402.277009 NA MeJP NA NA +MJ055488 7-Hydroxy-8-(15-hydroxypentadecyl)-2H-1-benzopyran-2-one; 7-Me ether C25H38O4 402.277009 NA MeJP NA NA +MJ055489 Aglajne 2 C25H38O4 402.277009 NA MeJP NA NA +MJ055490 Androst-5-ene-3,17-diol, Dipropanoyl C25H38O4 402.277009 NA MeJP NA NA +MJ055491 Aplyolide A C25H38O4 402.277009 NA MeJP NA NA +MJ055492 Cladocoran B C25H38O4 402.277009 NA MeJP NA NA +MJ055493 Dehydroluffariellolide diacid C25H38O4 402.277009 NA MeJP NA NA +MJ055494 Durbinal B; Ac C25H38O4 402.277009 NA MeJP NA NA +MJ055495 Dysidiolide C25H38O4 402.277009 NA MeJP NA NA +MJ055496 Fusaproliferin; O-De-Ac C25H38O4 402.277009 NA MeJP NA NA +MJ055497 Luffarin I C25H38O4 402.277009 NA MeJP NA NA +MJ055498 Luffarin K C25H38O4 402.277009 NA MeJP NA NA +MJ055499 Luffariolide B C25H38O4 402.277009 NA MeJP NA NA +MJ055500 Luffariolide D C25H38O4 402.277009 NA MeJP NA NA +MJ055501 Neomanoalide C25H38O4 402.277009 NA MeJP NA NA +MJ055502 Ophiobolin C; 14?-Hydroxy C25H38O4 402.277009 NA MeJP NA NA +MJ055503 Oxprenoic acid C25H38O4 402.277009 NA MeJP NA NA +MJ055504 Palauolol C25H38O4 402.277009 NA MeJP NA NA +MJ055505 Plakortolide; 11,12,15,16-Tetrahydro C25H38O4 402.277009 NA MeJP NA NA +MJ055506 Scalarolbutenolide; 16-Epimer, 16-deacetyl C25H38O4 402.277009 NA MeJP NA NA +MJ055507 Spongiolactone C25H38O4 402.277009 NA MeJP NA NA +MJ055508 Terpestacin C25H38O4 402.277009 NA MeJP NA NA +MJ055509 Vibsanin A C25H38O4 402.277009 NA MeJP NA NA +HMDB00541 7b-Hydroxy-3-oxo-5b-cholanoic acid C25H38O4 402.27701 http://www.hmdb.ca/metabolites/HMDB00541 HMDB NA NA +HMDB00541 7b-Hydroxy-3-oxo-5b-cholanoic acid C25H38O4 402.27701 HMDB00541 PFEM_hmdb_metabocards_official NA NA +3752 NA KKK 402.282 ACE inhibitor Inhouse_peptide NA peptide +PJ000939 KKK C18H38N6O4 402.2955 NA PeJP NA NA +MJ055510 1-Hydroxy-4-eicosen-3-one, 4-Hydroxyphenyl ether C26H42O3 402.313395 NA MeJP NA NA +MJ055511 17-Hydroxyandrostan-3-one, 17-Heptanoyl C26H42O3 402.313395 NA MeJP NA NA +MJ055512 2-Hydroxy-6-nonadecyl-1,4-benzoquinone; 10,11-Didehydro(Z-), Me ether C26H42O3 402.313395 NA MeJP NA NA +MJ055513 2-Methoxy-4-(2-propenyl)phenol; O-Hexadecanoyl C26H42O3 402.313395 NA MeJP NA NA +MJ055514 24,25-Epoxy-24-methyl-16-scalarene-12,25-diol C26H42O3 402.313395 NA MeJP NA NA +MJ055515 24-Norcholesta-7,22-diene-3,5,6-triol C26H42O3 402.313395 NA MeJP NA NA +MJ055516 3-Hydroxy-22,23,24,25,26,27-hexanordammaran-20-one, Ac C26H42O3 402.313395 NA MeJP NA NA +MJ055517 5-(3,13-Eicosadienyl)-2-furanacetic acid C26H42O3 402.313395 NA MeJP NA NA +MJ055518 3,20-Diaminopregn-5-en-15-ol, N20,N20-Di-Me, N3-Ac C25H42N2O2 402.324628 NA MeJP NA NA +MJ055519 3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxy-14-methylpentadecanoyl) C25H42N2O2 402.324628 NA MeJP NA NA +MJ055520 3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxyhexadecanoyl) C25H42N2O2 402.324628 NA MeJP NA NA +MJ055521 Malouphyllinine; 18-Aldehyde C25H42N2O2 402.324628 NA MeJP NA NA +MJ055522 Malouphyllinine; 5,6-Didehydro C25H42N2O2 402.324628 NA MeJP NA NA +MJ055523 2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaene C30H42 402.328651 NA MeJP NA NA +C16145 4,4'-Diaponeurosporene C30H42 402.3287 NA KEGG NA NA +MJ055524 Cholesterol-5alpha,6beta-epoxide C27H46O2 402.34978 NA MeJP NA NA +MJ055525 Cholesterol-5beta,6beta-epoxide C27H46O2 402.34978 NA MeJP NA NA +MJ055526 20alpha-Hydroxycholesterol C27H46O2 402.34978 NA MeJP NA NA +MJ055527 22beta-Hydroxycholesterol C27H46O2 402.34978 NA MeJP NA NA +MJ055528 7alpha-Hydroxy-5beta-cholestan-3-one C27H46O2 402.34978 NA MeJP NA NA +MJ055529 7alpha-Hydroxycholesterol C27H46O2 402.34978 NA MeJP NA NA +MJ055530 1-Phenyl-1,3-heneicosanedione; 3-Alcohol C27H46O2 402.34978 NA MeJP NA NA +MJ055531 2-Methyl-6-phytylhydroquinone C27H46O2 402.34978 NA MeJP NA NA +MJ055532 20,24-Epoxy-25,26,27-trinordammaran-24-ol C27H46O2 402.34978 NA MeJP NA NA +MJ055533 20,29,30-Trinor-3,19-lupanediol C27H46O2 402.34978 NA MeJP NA NA +MJ055534 3-Hydroxycholestan-6-one C27H46O2 402.34978 NA MeJP NA NA +MJ055535 ?-Tocopherol C27H46O2 402.34978 NA MeJP NA NA +MJ055536 Cholest-14-ene-3,16-diol C27H46O2 402.34978 NA MeJP NA NA +MJ055537 Cholest-4-ene-3,6-diol C27H46O2 402.34978 NA MeJP NA NA +MJ055538 Cholest-5-ene-3,22-diol C27H46O2 402.34978 NA MeJP NA NA +MJ055539 Cholest-5-ene-3,24-diol C27H46O2 402.34978 NA MeJP NA NA +MJ055540 Cholest-5-ene-3,7-diol C27H46O2 402.34978 NA MeJP NA NA +MJ055541 Cholest-7-ene-3,6-diol C27H46O2 402.34978 NA MeJP NA NA +MJ055542 Cholest-8-ene-3,6-diol C27H46O2 402.34978 NA MeJP NA NA +MJ055543 ?-Tocopherol C27H46O2 402.34978 NA MeJP NA NA +MetaCyc03393 2-methyl-6-phytyl-1,4-benzoquinone [] C27H46O2 402.349781 NA metacyc NA NA +MetaCyc03394 δ-tocopherol [] C27H46O2 402.349781 NA metacyc NA NA +MetaCyc03395 22α-hydroxy-cholesterol [22-OH-cholesterol;22-OH-CHR;] C27H46O2 402.349781 NA metacyc NA NA +MetaCyc03396 27-hydroxycholesterol [] C27H46O2 402.349781 NA metacyc NA NA +MetaCyc03397 20α-hydroxy-cholesterol [] C27H46O2 402.349781 NA metacyc NA NA +MetaCyc03398 7α-hydroxycholesterol [cholest-5-ene-3β,7α-diol;] C27H46O2 402.349781 NA metacyc NA NA +HMDB01419 24-Hydroxycholesterol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB01419 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01496 7a-Hydroxycholesterol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB01496 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02103 27-Hydroxycholesterol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB02103 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02902 Delta-Tocopherol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB02902 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06119 7b-Hydroxycholesterol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB06119 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01419 24-Hydroxycholesterol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB01419 HMDB NA NA +HMDB01496 7a-Hydroxycholesterol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB01496 HMDB NA NA +HMDB02103 27-Hydroxycholesterol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB02103 HMDB NA NA +HMDB02902 Delta-Tocopherol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB02902 HMDB NA NA +HMDB04035 22beta-Hydroxycholesterol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB04035 HMDB NA NA +HMDB06119 7b-Hydroxycholesterol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB06119 HMDB NA NA +HMDB06247 25-Hydroxycholesterol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB06247 HMDB NA NA +HMDB06283 20alpha-hydroxy cholesterol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB06283 HMDB NA NA +HMDB06892 7alpha-Hydroxy-5beta-cholestan-3-one C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB06892 HMDB NA NA +HMDB01419 24-Hydroxycholesterol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB01419 PFEM_hmdb_metabocards_blood NA blood +HMDB01496 7a-Hydroxycholesterol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB01496 PFEM_hmdb_metabocards_blood NA blood +HMDB02103 27-Hydroxycholesterol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB02103 PFEM_hmdb_metabocards_blood NA blood +HMDB02902 Delta-Tocopherol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB02902 PFEM_hmdb_metabocards_blood NA blood +HMDB06119 7b-Hydroxycholesterol C27H46O2 402.34979 http://www.hmdb.ca/metabolites/HMDB06119 PFEM_hmdb_metabocards_blood NA blood +HMDB01419 24-Hydroxycholesterol C27H46O2 402.34979 HMDB01419 PFEM_hmdb_metabocards_official NA NA +HMDB01496 7a-Hydroxycholesterol C27H46O2 402.34979 HMDB01496 PFEM_hmdb_metabocards_official NA NA +HMDB02103 27-Hydroxycholesterol C27H46O2 402.34979 HMDB02103 PFEM_hmdb_metabocards_official NA NA +HMDB02902 Delta-Tocopherol C27H46O2 402.34979 HMDB02902 PFEM_hmdb_metabocards_official NA NA +HMDB04035 22beta-Hydroxycholesterol C27H46O2 402.34979 HMDB04035 PFEM_hmdb_metabocards_official NA NA +HMDB06119 7b-Hydroxycholesterol C27H46O2 402.34979 HMDB06119 PFEM_hmdb_metabocards_official NA NA +HMDB06247 25-Hydroxycholesterol C27H46O2 402.34979 HMDB06247 PFEM_hmdb_metabocards_official NA NA +HMDB06283 20alpha-hydroxy cholesterol C27H46O2 402.34979 HMDB06283 PFEM_hmdb_metabocards_official NA NA +HMDB06892 7alpha-Hydroxy-5beta-cholestan-3-one C27H46O2 402.34979 HMDB06892 PFEM_hmdb_metabocards_official NA NA +HMDB01419 24-Hydroxycholesterol C27H46O2 402.349792 NA HMDB2010 NA NA +HMDB01496 7a-Hydroxycholesterol C27H46O2 402.349792 NA HMDB2010 NA NA +HMDB02103 27-Hydroxycholesterol C27H46O2 402.349792 NA HMDB2010 NA NA +HMDB02902 Delta-Tocopherol C27H46O2 402.349792 NA HMDB2010 NA NA +HMDB04035 22b-Hydroxycholesterol C27H46O2 402.349792 NA HMDB2010 NA NA +HMDB06119 7b-Hydroxycholesterol C27H46O2 402.349792 NA HMDB2010 NA NA +HMDB06247 25-Hydroxycholesterol C27H46O2 402.349792 NA HMDB2010 NA NA +HMDB06283 20alpha-Hydroxycholesterol C27H46O2 402.349792 NA HMDB2010 NA NA +HMDB06892 7a-Hydroxy-5b-cholestan-3-one C27H46O2 402.349792 NA HMDB2010 NA NA +HMDB11643 (24R)-Cholest-5-ene-3-beta,24-diol C27H46O2 402.349792 NA HMDB2010 NA NA +C03594 7alpha-Hydroxycholesterol C27H46O2 402.3498 NA KEGG NA NA +C05418 Cholesterol-5beta,6beta-epoxide C27H46O2 402.3498 NA KEGG NA NA +C05451 7alpha-Hydroxy-5beta-cholestan-3-one C27H46O2 402.3498 NA KEGG NA NA +C05500 20alpha-Hydroxycholesterol C27H46O2 402.3498 NA KEGG NA NA +C05502 22beta-Hydroxycholesterol C27H46O2 402.3498 NA KEGG NA NA +C13550 24-Hydroxycholesterol C27H46O2 402.3498 NA KEGG NA NA +C13551 Transferred to D02047 C27H46O2 402.3498 NA KEGG NA NA +C13552 Transferred to D02048 C27H46O2 402.3498 NA KEGG NA NA +C13553 Colistin sodium methanesulfonate C49H88N16O27S5R 402.3498 NA KEGG NA NA +C14151 delta-Tocopherol C27H46O2 402.3498 NA KEGG NA NA +C15519 Cholest-5-ene-3beta,25-diol C27H46O2 402.3498 NA KEGG NA NA +C15610 Cholest-5-ene-3beta,26-diol C27H46O2 402.3498 NA KEGG NA NA +C15882 2-Methyl-6-phytylquinol C27H46O2 402.3498 NA KEGG NA NA +C15992 Cholesterol-5alpha,6alpha-epoxide C27H46O2 402.3498 NA KEGG NA NA +C15995 Bombesin C27H46O2 402.3498 NA KEGG NA NA +MJ055544 Cyclopapilosine I; N3,N20-Di-Me C26H46N2O 402.361014 NA MeJP NA NA +MJ055545 Cyclovirobuxine I; N20,N20-Di-Me C26H46N2O 402.361014 NA MeJP NA NA +MJ055546 Cyclovirobuxine I; N3,N20-Di-Me C26H46N2O 402.361014 NA MeJP NA NA +MJ055547 Pregnane-3,20-diamine, N3,N3,N20-Tri-Me, N20-Ac C26H46N2O 402.361014 NA MeJP NA NA +MJ055548 Pregnane-3,20-diamine, N3,N20,N20-Tri-Me, N3-Ac C26H46N2O 402.361014 NA MeJP NA NA +MJ055549 Pregnane-3,20-diamine, N3,N3,N20-Tri-Me, N20-Ac C26H46N2O 402.361014 NA MeJP NA NA +MJ055550 19-Norstigmastan-3-ol C28H50O 402.386166 NA MeJP NA NA +MJ055551 3-Hydroxymethyl-A-norergostane C28H50O 402.386166 NA MeJP NA NA +MJ055552 Ergostan-3-ol C28H50O 402.386166 NA MeJP NA NA +MetaCyc03399 campestanol [5α-campestanol;] C28H50O1 402.386166 NA metacyc NA NA +HMDB00534 Campestanol C28H50O 402.386169 NA HMDB2010 NA NA +HMDB00534 Campestanol C28H50O 402.38617 http://www.hmdb.ca/metabolites/HMDB00534 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00534 Campestanol C28H50O 402.38617 http://www.hmdb.ca/metabolites/HMDB00534 HMDB NA NA +HMDB00534 Campestanol C28H50O 402.38617 http://www.hmdb.ca/metabolites/HMDB00534 PFEM_hmdb_metabocards_blood NA blood +HMDB00534 Campestanol C28H50O 402.38617 HMDB00534 PFEM_hmdb_metabocards_official NA NA +C15787 Campestanol C28H50O 402.3862 NA KEGG NA NA +MJ055553 1,20,22-Nonacosatriene C29H54 402.422551 NA MeJP NA NA +MJ055554 3,5-Diiodo-4-methoxyphenylethylamine C9H11I2NO 402.893 NA MeJP NA NA +MJ055555 Agelaspongin; 10,11-Dibromo C11H11Br2N5O2 402.927949 NA MeJP NA NA +MJ055556 Dispacamide A C11H11Br2N5O2 402.927949 NA MeJP NA NA +MJ055557 Molokaiamine; N3''-(Cyanoformyl) C13H15Br2N3O2 402.953102 NA MeJP NA NA +MJ055558 Cytidine 5'-diphosphate C9H15N3O11P2 403.018181 NA MeJP NA NA +MJ055559 CDP C9H15N3O11P2 403.018181 NA MeJP NA NA +MetaCyc03400 CDP [cytidine-diphosphate;cytidine-5'-diphosphate;] C9H15N3O11P2 403.018181 63-38-7 metacyc NA NA +HMDB01546 CDP C9H15N3O11P2 403.018188 NA HMDB2010 NA NA +HMDB01546 CDP C9H15N3O11P2 403.01819 http://www.hmdb.ca/metabolites/HMDB01546 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01546 CDP C9H15N3O11P2 403.01819 http://www.hmdb.ca/metabolites/HMDB01546 HMDB NA NA +HMDB01546 CDP C9H15N3O11P2 403.01819 http://www.hmdb.ca/metabolites/HMDB01546 PFEM_hmdb_metabocards_blood NA blood +HMDB01546 CDP C9H15N3O11P2 403.01819 HMDB01546 PFEM_hmdb_metabocards_official NA NA +C00112 CDP C9H15N3O11P2 403.0182 NA KEGG NA NA +C10908 Fluthiacet-methyl C15H15ClFN3O3S2 403.0227 NA KEGG NA NA +MJ055560 Phthalylsulfathiazole C17H13N3O5S2 403.029661 NA MeJP NA NA +C07659 Sulfathalidine C17H13N3O5S2 403.0297 NA KEGG NA NA +MJ055561 Botryllamide A; (5E)-Isomer, monodebromo C19H18BrNO4 403.04192 NA MeJP NA NA +MJ055562 Botryllamide A; Monodebromo C19H18BrNO4 403.04192 NA MeJP NA NA +MJ055563 2-(3-Alkyl-5-chloro-2,6-dihydroxybenzoyl)-4,5-dichloro-1H-pyrrole; 2-[3-Chloro-2,6-dihydroxy-3-(4-methylhexyl)benzoyl]-4,5-dichloro-1H-pyrrole C18H20Cl3NO3 403.050876 NA MeJP NA NA +MJ055564 2-(3-Alkyl-5-chloro-2,6-dihydroxybenzoyl)-4,5-dichloro-1H-pyrrole; 2-[3-Chloro-2,6-dihydroxy-5-(5-methylhexyl)benzoyl]-4,5-dichloro-1H-pyrrole C18H20Cl3NO3 403.050876 NA MeJP NA NA +MJ055565 2-Hydroxy-4-pentenyl glucosinolate C12H21NO10S2 403.060687 NA MeJP NA NA +C08416 Gluconapoleiferin C12H21NO10S2 403.0607 NA KEGG NA NA +MJ055566 Ochratoxin A C20H18ClNO6 403.082265 NA MeJP NA NA +C09955 Ochratoxin A C20H18ClNO6 403.0823 NA KEGG NA NA +MJ055567 9-Chloro-2-(2-furanyl)-5-(phenylacetyl)amino[1,2,4]triazolo[1,5-c]quinazoline C21H14ClN5O2 403.083602 NA MeJP NA NA +MJ055568 3-(Methylthiomethyl)cephalosporin C C15H21N3O6S2 403.087176 NA MeJP NA NA +MetaCyc03401 6-(α-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate [] C12H22N1O12P1 403.087962 NA metacyc NA NA +C16070 6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate C12H22NO12P 403.088 NA KEGG NA NA +HMDB06806 Propinol adenylate C13H18N5O8P 403.089294 NA HMDB2010 NA NA +MJ055569 Propinol adenylate C13H18N5O8P 403.089299 NA MeJP NA NA +C05983 Propionyladenylate C13H18N5O8P 403.0893 NA KEGG NA NA +MJ055570 Polycarpamine D C17H25NO4S3 403.09457 NA MeJP NA NA +MJ055571 3-Methylpentyl glucosinolate C13H25NO9S2 403.097072 NA MeJP NA NA +MJ055572 4-Methylpentyl glucosinolate C13H25NO9S2 403.097072 NA MeJP NA NA +MJ055573 Hexyl glucosinolate C13H25NO9S2 403.097072 NA MeJP NA NA +FL7AAAGS0001 Pelargonidin 3-arabinoside C20H19O9 403.1029 33569-08-3 knapsack NA NA +FL7AAAGS0002 Taccalin C20H19O9 403.1029 77974-80-2 knapsack NA NA +MJ055574 7-Methoxydeacetylcephalosporin C C15H21N3O8S 403.104935 NA MeJP NA NA +MJ055575 Hamigeran D C21H26BrNO2 403.114691 NA MeJP NA NA +MJ055576 Hexadiphenium(1+), Bromide C21H26BrNO2 403.114691 NA MeJP NA NA +MJ055577 Azoxystrobin C22H17N3O5 403.11682 NA MeJP NA NA +MJ055578 Alpidem C21H23Cl2N3O 403.121817 NA MeJP NA NA +MJ055579 Adenosine; 3'-(Butyl hydrogen phosphate) C14H22N5O7P 403.125684 NA MeJP NA NA +MJ055580 Peralopride C20H22ClN3O4 403.129883 NA MeJP NA NA +MetaCyc03402 trifluoperazine [TFP;] C21H20N3F3S1 403.133003 NA metacyc NA NA +MJ055581 Diplamine; N-De-Ac, N-tigloyl C23H21N3O2S 403.135447 NA MeJP NA NA +MJ055582 Caerulomycin D C19H21N3O7 403.13795 NA MeJP NA NA +MJ055583 Jaconine; 18-Hydroxy C18H26ClNO7 403.139779 NA MeJP NA NA +MJ055584 Sceleratine; 18-Deoxy, 18-chloro, N-oxide C18H26ClNO7 403.139779 NA MeJP NA NA +MJ055585 Lachnanthopyridone; N-(1-Carboxy-2-methylbutyl) C24H21NO5 403.141972 NA MeJP NA NA +MJ055586 Canarius C13H21N7O8 403.14516 NA MeJP NA NA +C07427 Perphenazine C21H26ClN3OS 403.1485 NA KEGG NA NA +MJ055587 Perphenazine C21H26ClN3OS 403.14851 NA MeJP NA NA +MJ055588 Adenine; 9H-form, 6N-(3-Hydroxybenzyl), 9-?-D-glucopyranosyl C18H21N5O6 403.149183 NA MeJP NA NA +PJ000940 GPCQ C15H25N5O6S 403.1526 NA PeJP NA NA +MJ055589 Sclerotiorinamine; Me ether C22H26ClNO4 403.155036 NA MeJP NA NA +MJ055590 [[7-[[2-(3-Chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydro-2-naphthalenyl]oxy]acetic acid, Et ester C22H26ClNO4 403.155036 NA MeJP NA NA +MJ055591 Bowdensine C21H25NO7 403.163102 NA MeJP NA NA +MJ055592 Clivonine, O-(3-Hydroxybutanoyl) C21H25NO7 403.163102 NA MeJP NA NA +MJ055593 Clivonine, O-(3?-Hydroxybutanoyl) C21H25NO7 403.163102 NA MeJP NA NA +MJ055594 Inaequidenine C21H25NO7 403.163102 NA MeJP NA NA +MJ055595 Stephamiersine; 16-Oxo C21H25NO7 403.163102 NA MeJP NA NA +MJ055596 Tazettine, O-De-Me, 3-O-(3-hydroxybutanoyl) C21H25NO7 403.163102 NA MeJP NA NA +PJ000941 QQE C15H25N5O8 403.1703 NA PeJP NA NA +8116 peptide derived from sardinelle by-products proteins (Sardinella aurita) GAWA 403.174 anticancer Inhouse_peptide NA peptide +C12221 Myxochelin B C20H25N3O6 403.1743 NA KEGG NA NA +MJ055597 3,3'-Diaminodipropylamine; N3,N3'-Bis(2,3-dihydroxybenzoyl) C20H25N3O6 403.174335 NA MeJP NA NA +MJ055598 Ancistrocladine; 1,2,3,4-Tetradehydro C25H25NO4 403.178358 NA MeJP NA NA +PJ000942 NDR C14H25N7O7 403.1816 NA PeJP NA NA +MJ055599 Melanostatin C19H25N5O5 403.185568 NA MeJP NA NA +PJ000943 AQW C19H25N5O5 403.1856 NA PeJP NA NA +PJ000944 GPCK C16H29N5O5S 403.189 NA PeJP NA NA +C11762 Propantheline chloride C23H30NO3 403.1914 NA KEGG NA NA +MJ055600 Stemofoline; 4'-Hydroxy C22H29NO6 403.199487 NA MeJP NA NA +MJ055601 Vilmoridine C22H29NO6 403.199487 NA MeJP NA NA +MJ055602 Donitriptan C23H25N5O2 403.200825 NA MeJP NA NA +3333 human beta-casein fr, 55-61 TQSLVYP 403.202 MH2+ Inhouse_peptide NA peptide +PJ000945 QKE C16H29N5O7 403.2067 NA PeJP NA NA +MJ055603 Dipenine(1+); Bromide C20H38BrNO2 403.208592 NA MeJP NA NA +MJ055604 Aminoxytriphene C26H29NO3 403.214743 NA MeJP NA NA +MJ055605 Doxaminol C26H29NO3 403.214743 NA MeJP NA NA +PJ000946 TQR C15H29N7O6 403.2179 NA PeJP NA NA +PJ000947 GATR C15H29N7O6 403.218 NA PeJP NA NA +MJ055606 Dramedilol C20H29N5O4 403.221954 NA MeJP NA NA +PJ000948 AKW C20H29N5O4 403.222 NA PeJP NA NA +MJ055607 Metergoline C25H29N3O2 403.225977 NA MeJP NA NA +MJ055608 Neoperiphylline C25H29N3O2 403.225977 NA MeJP NA NA +MJ055609 Periphylline C25H29N3O2 403.225977 NA MeJP NA NA +MJ055610 Pleurostyline C25H29N3O2 403.225977 NA MeJP NA NA +C10612 Pleurostyline C25H29N3O2 403.226 NA KEGG NA NA +MJ055611 Alkaloid GB11; 14-Me ether, O20-deacetyl C23H33NO5 403.235873 NA MeJP NA NA +MJ055612 Gomandonine; O13-Ac C23H33NO5 403.235873 NA MeJP NA NA +MJ055613 Yuzurimine; Di-O-de-Ac C23H33NO5 403.235873 NA MeJP NA NA +MJ055614 Yuzurine; 13-Oxo, O-de-Me C23H33NO5 403.235873 NA MeJP NA NA +MJ055615 Yuzurine; 3-Epimer, 13-oxo, O-de-Me C23H33NO5 403.235873 NA MeJP NA NA +MJ055616 Changrolin C24H29N5O 403.23721 NA MeJP NA NA +MJ055617 Fortimicin KG; N1-Aminoacetyl C17H33N5O6 403.243083 NA MeJP NA NA +PJ000949 KKE C17H33N5O6 403.2431 NA PeJP NA NA +PJ000950 TKR C16H33N7O5 403.2543 NA PeJP NA NA +MJ055618 Aconasutine C24H37NO4 403.272258 NA MeJP NA NA +MJ055619 Daphnigracine C24H37NO4 403.272258 NA MeJP NA NA +MJ055620 Edifolone C24H37NO4 403.272258 NA MeJP NA NA +MJ055621 Paipunine C24H37NO4 403.272258 NA MeJP NA NA +MJ055622 Yuzurine; O-De-Me C24H37NO4 403.272258 NA MeJP NA NA +MJ055623 Istamycin C C18H37N5O5 403.279469 NA MeJP NA NA +C17995 Istamycin C C18H37N5O5 403.2795 NA KEGG NA NA +MJ055624 Tubingensin A; 10,27-Dihydro C28H37NO 403.287514 NA MeJP NA NA +MJ055625 Tubingensin B; 10,27-Dihydro C28H37NO 403.287514 NA MeJP NA NA +C16747 Spergualin C17H37N7O4 403.2907 NA KEGG NA NA +MJ055626 Spergualin C17H37N7O4 403.290702 NA MeJP NA NA +MJ055627 Mycestericin A; 12,13-Dihydro C21H41NO6 403.293388 NA MeJP NA NA +MJ055628 Myriocin; 6,7-Dihydro C21H41NO6 403.293388 NA MeJP NA NA +MJ055629 Het403 C22H37N5O2 403.294725 NA MeJP NA NA +MJ055630 Mycalazoles; Mycalazole 10 C26H45NO2 403.345029 NA MeJP NA NA +MJ055631 Cethexonium(1+); Chloride C24H50ClNO 403.358092 NA MeJP NA NA +MJ055632 3-Alkyl-1H-pyrrole-2-carboxaldehyde; 3-Docosyl-1H-pyrrole-2-carboxaldehyde C27H49NO 403.381415 NA MeJP NA NA +2603 tachykinin family from white shrimp Penaeus vannam ASFSPWGG 403.671 MH2+ Inhouse_peptide NA peptide +8291 ACE inhibitor PGPLGLTGP 403.717 MH2+ Inhouse_peptide NA peptide +8181 peptide derived from bovine k-casein (18û24) FSDKIAK 403.71795 MH2+ Inhouse_peptide NA peptide +8266 f(18-24) of bovine kappa casein FSDKIAK 403.71795 MH2+ Inhouse_peptide NA peptide +C11090 Endosulfan C9H6Cl6O3S 403.8169 NA KEGG NA NA +MJ055633 4-Bromo-3-butyl-5-(dibromomethyl)-5-hydroxy-2(5H)-furanone C9H11Br3O3 403.825832 NA MeJP NA NA +MJ055634 2,2',3,3',5,5'-Hexachloro-6,6'-dihydroxydiphenylmethane C13H6Cl6O2 403.849895 NA MeJP NA NA +C08039 Hexachlorophene C13H6Cl6O2 403.8499 NA KEGG NA NA +MJ055635 1,1,2-Tribromo-1-octen-3-ol, Ac C10H15Br3O2 403.862217 NA MeJP NA NA +MJ055636 4-Bromo-3-(1-hydroxybutyl)-5-methoxy-5-methyl-2(5H)-furanone, 1''-Iodo C10H14BrIO4 403.912015 NA MeJP NA NA +MJ055637 2,4,7-Trichloro-3,5,6,8-tetrahydroxy-1-methylxanthone; Di-Me ether C16H11Cl3O6 403.962121 NA MeJP NA NA +MJ055638 Ocellenyne C16H22Br2O2 403.998655 NA MeJP NA NA +MJ055639 UDP C9H14N2O12P2 404.002196 NA MeJP NA NA +HMDB00295 Uridine 5'-diphosphate C9H14N2O12P2 404.002197 NA HMDB2010 NA NA +MetaCyc03403 UDP [uridine-diphosphate;uridine-5'-diphosphate;] C9H14N2O12P2 404.002197 58-98-0 metacyc NA NA +HMDB00295 Uridine 5'-diphosphate C9H14N2O12P2 404.0022 http://www.hmdb.ca/metabolites/HMDB00295 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00295 Uridine 5'-diphosphate C9H14N2O12P2 404.0022 http://www.hmdb.ca/metabolites/HMDB00295 HMDB NA NA +C00015 UDP C9H14N2O12P2 404.0022 NA KEGG NA NA +HMDB00295 Uridine 5'-diphosphate C9H14N2O12P2 404.0022 http://www.hmdb.ca/metabolites/HMDB00295 PFEM_hmdb_metabocards_blood NA blood +HMDB00295 Uridine 5'-diphosphate C9H14N2O12P2 404.0022 HMDB00295 PFEM_hmdb_metabocards_official NA NA +MJ055640 Dysideathiazole; 9,10-Bisdechloro, N-Me C14H20Cl4N2OS 404.005044 NA MeJP NA NA +C13104 Aluminoparaaminosalicylate calcium C35H59NO13 404.0113 NA KEGG NA NA +C13105 Transferred to D01644 C35H59NO13 404.0113 NA KEGG NA NA +C13106 Gadodiamide hydrate C16H26N5O8 404.0113 NA KEGG NA NA +C13107 Transferred to D01646 C16H26N5O8 404.0113 NA KEGG NA NA +C13108 Transferred to D01647 C16H26N5O8 404.0113 NA KEGG NA NA +MJ055641 Sulfoxone C14H16N2O6S3 404.017048 NA MeJP NA NA +MJ055642 Salazosulfathiazole C16H12N4O5S2 404.02491 NA MeJP NA NA +MJ055643 Topsentin A; 21-Bromo C20H13BrN4O 404.027273 NA MeJP NA NA +MJ055644 Topsentin A; 7-Bromo C20H13BrN4O 404.027273 NA MeJP NA NA +MJ055645 Iolopride C15H21IN2O3 404.059685 NA MeJP NA NA +C04839 3-O-(3,6-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate C12H20O13S 404.0625 NA KEGG NA NA +MJ055646 Delorazepam; 3-Hydroxy, 2,2-dimethylpropanoyl C20H18Cl2N2O3 404.069447 NA MeJP NA NA +MJ055647 1,7-Dihydroxyxanthone; 7-O-?-D-Glucuronopyranoside C19H16O10 404.074346 NA MeJP NA NA +MJ055648 Haemathamnolic acid C19H16O10 404.074346 NA MeJP NA NA +MJ055649 Lactothamnolic acid; 18-Deoxo C19H16O10 404.074346 NA MeJP NA NA +MJ055650 Arclofenin C19H17ClN2O6 404.077513 NA MeJP NA NA +MJ055651 Cnidimonal C23H16O7 404.089602 NA MeJP NA NA +MJ055652 Diospyrin; 3'-Methoxy C23H16O7 404.089602 NA MeJP NA NA +MetaCyc03404 5'-(p-nitrophenyl)thioadenosine [] C16H16N6O5S1 404.090288 NA metacyc NA NA +MJ055653 N-[2-Amino-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)urea C18H18Cl2N6O 404.091914 NA MeJP NA NA +MJ055654 Mollicellin D C21H21ClO6 404.102666 NA MeJP NA NA +MJ055655 Tosufloxacin C19H15F3N4O3 404.109624 NA MeJP NA NA +FL1CAAGS0003 Chalconaringenin 2'-xyloside C20H20O9 404.11073 76840-08-9 knapsack NA NA +FL1CELNS0003 2,2'-Dihydroxy-3,4,5,6'-tetramethoxy-3',4'-methylenedioxychalcone C20H20O9 404.11073 121697-07-2 knapsack NA NA +FL3FELNS0005 Psiadiarabicin C20H20O9 404.11073 111950-81-3 knapsack NA NA +FL3FGGNS0003 Gardenin C;3',5-Dihydroxy-4',5',6,7,8-pentamethoxyflavone\r\n;5-Hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one C20H20O9 404.11073 29550-05-8 knapsack NA NA +FL3FGGNS0012 5,4'-Dihydroxy-6,7,8,3',5'-pentamethoxyflavone;5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one C20H20O9 404.11073 240804-39-1 knapsack NA NA +FL3FGLNS0003 Agehoustin F C20H20O9 404.11073 111316-38-2 knapsack NA NA +FL5FEGNS0012 Apuleirin C20H20O9 404.11073 34318-34-8 knapsack NA NA +FL5FEGNS0013 Murrayanol C20H20O9 404.11073 76444-62-7 knapsack NA NA +FL5FEGNS0014 5,3'-Dihydroxy-3,6,7,4',5'-pentamethoxyflavone C20H20O9 404.11073 72357-40-5 knapsack NA NA +FL5FELNS0011 Apulein C20H20O9 404.11073 20362-24-7 knapsack NA NA +FL5FELNS0012 6,5'-Dihydroxy-3,5,7,2',4'-pentamethoxyflavone C20H20O9 404.11073 80496-69-1 knapsack NA NA +FL5FELNS0013 6,2'-Dihydroxy-3,5,7,4',5'-pentamethoxyflavone C20H20O9 404.11073 72947-65-0 knapsack NA NA +FL5FELNS0014 5,5'-Dihidroxy-3,6,7,2',4'-pentamethoxyflavone C20H20O9 404.11073 71827-10-6 knapsack NA NA +FL5FELNS0015 Brickellin C20H20O9 404.11073 90357-63-4 knapsack NA NA +FL5FELNS0016 Distemonatin C20H20O9 404.11073 78368-30-6 knapsack NA NA +FL5FFGNS0006 Conyzatin C20H20O9 404.11073 62953-00-8 knapsack NA NA +FL5FFLNS0004 5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone C20H20O9 404.11073 - knapsack NA NA +FL5FGCNS0014 5,4'-Dihydroxy-3,6,7,8,3'-pentamethoxyflavone;3'-Methoxycalycopterin;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one C20H20O9 404.11073 50439-47-9 knapsack NA NA +FL5FGCNS0015 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one C20H20O9 404.11073 102673-80-3 knapsack NA NA +FL5FGCNS0016 3,5-Dihydroxy-6,7,8,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-3,5-dihydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one C20H20O9 404.11073 158437-63-9 knapsack NA NA +FL5FGCNS0027 5,7-Dihydroxy-3,6,8,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxy-4H-1-benzopyran-4-one C20H20O9 404.11073 481-54-9 knapsack NA NA +FL5FGLNS0002 5,4'-Dihydroxy-3,6,7,8,2'-pentamethoxyflavone C20H20O9 404.11073 70368-17-1 knapsack NA NA +FL5FGLNS0003 5,2'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone C20H20O9 404.11073 70368-16-0 knapsack NA NA +MJ055656 1,7-Dihydroxyxanthone; 1-Me ether, 7-O-?-D-glucopyranoside C20H20O9 404.110732 NA MeJP NA NA +MJ055657 2',3',4',5,5',6,7-Heptahydroxyflavone; 2',4',5',6,7-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055658 2',3',4',5,5',6,7-Heptahydroxyisoflavone; 2',3',4',5',6-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055659 2',3,4',5,5',6,7-Heptahydroxyflavone; 2',3,4',5',7-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055660 2',3,4',5,5',6,7-Heptahydroxyflavone; 2',3,4',5,7-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055661 2',3,4',5,5',6,7-Heptahydroxyflavone; 3,4',5',6,7-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055662 2',3,4',5,5',6,7-Heptahydroxyflavone; 3,4',5,5',7-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055663 2',3,4',5,5',6,7-Heptahydroxyflavone; 3,4',5,6,7-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055664 2',3,4',5,6,7,8-Heptahydroxyflavone; 2',3,6,7,8-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055665 2',3,4',5,6,7,8-Heptahydroxyflavone; 3,4',6,7,8-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055666 2',4',5,5',6,7,8-Heptahydroxyflavone; 4',5',6,7,8-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055667 2',4',5,5',6,7,8-Heptahydroxyflavone; 5,5',6,7,8-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055668 2',4,4',6'-Tetrahydroxychalcone; 2'-O-Xyloside C20H20O9 404.110732 NA MeJP NA NA +MJ055669 2,2',3,3',4,4',5,6'-Octahydroxychalcone; 2',3,4,5-Tetra-Me, 3',4'-methylene ether C20H20O9 404.110732 NA MeJP NA NA +MJ055670 2-(3,5-Dihydroxyphenyl)-6-hydroxybenzofuran; 3'-O-?-D-Glucopyranoside C20H20O9 404.110732 NA MeJP NA NA +MJ055671 3',4',5,5',6,7,8-Heptahydroxyflavone; 3',4',5',6,8-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055672 3',4',5,5',6,7,8-Heptahydroxyflavone; 3',5',6,7,8-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055673 3',4',5,5',6,7,8-Heptahydroxyflavone; 4',5',6,7,8-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055674 3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',4',5,7-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055675 3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',5',6,7-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055676 3,3',4',5,5',6,7-Heptahydroxyflavone; 3,4',5',6,7-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055677 3,3',4',5,5',7,8-Heptahydroxyflavone; 3',4',5',7,8-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055678 3,3',4',5,5',7,8-Heptahydroxyflavone; 3,3',4',5',8-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055679 3,3',4',5,5',7,8-Heptahydroxyflavone; 3,3',5',7,8-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055680 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4',6,7,8-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055681 3,3',4',5,6,7,8-Heptahydroxyflavone; 3,3',6,7,8-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055682 3,3',4',5,6,7,8-Heptahydroxyflavone; 3,4',6,7,8-Penta-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055683 5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 6-O-?-D-Glucopyranoside, 8-deoxy C20H20O9 404.110732 NA MeJP NA NA +MJ055684 Echinocarpic acid; 4'-Me ether C20H20O9 404.110732 NA MeJP NA NA +MJ055685 Elatinic acid C20H20O9 404.110732 NA MeJP NA NA +MJ055686 Griseusin B, O-De-Ac C20H20O9 404.110732 NA MeJP NA NA +MJ055687 Plicatic acid; 9',9-Lactone C20H20O9 404.110732 NA MeJP NA NA +MJ055688 Sculezonone A; 8-Hydroxy C20H20O9 404.110732 NA MeJP NA NA +MJ055689 Squamatic acid; 2-Me ether C20H20O9 404.110732 NA MeJP NA NA +C11619 Spectinomycin dihydrochloride C14H24N2O7 404.1117 NA KEGG NA NA +MJ055690 Sulfinpyrazone C23H20N2O3S 404.119463 NA MeJP NA NA +C07317 Sulfinpyrazone C23H20N2O3S 404.1195 NA KEGG NA NA +MJ055691 FR 900280 C19H20N2O8 404.121965 NA MeJP NA NA +FL1DA9NN0002 Calomelanol C C24H20O6 404.12598 137319-46-1 knapsack NA NA +FL1DAANN0001 Calomelanol B C24H20O6 404.12598 137319-45-0 knapsack NA NA +MJ055692 ?-Indomycinone C24H20O6 404.125988 NA MeJP NA NA +MJ055693 Calomelanol B C24H20O6 404.125988 NA MeJP NA NA +MJ055694 Diosindigo A C24H20O6 404.125988 NA MeJP NA NA +MJ055695 Diosindigo B C24H20O6 404.125988 NA MeJP NA NA +MJ055696 Disparacetylfuran A C24H20O6 404.125988 NA MeJP NA NA +MJ055697 Lemuninol A C24H20O6 404.125988 NA MeJP NA NA +MJ055698 Saptomycin A C24H20O6 404.125988 NA MeJP NA NA +MJ055699 1,1'-Methylenebis[2-phenazinol] C25H16N4O2 404.127325 NA MeJP NA NA +MJ055700 1,2-Benzenediol; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C17H24O11 404.131861 NA MeJP NA NA +MJ055701 1,2-Benzenediol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C17H24O11 404.131861 NA MeJP NA NA +MJ055702 4-O-Methyl-myo-inositol, Penta-Ac C17H24O11 404.131861 NA MeJP NA NA +MJ055703 Antirrhinoside; 6'-Ac C17H24O11 404.131861 NA MeJP NA NA +MJ055704 Arbutin; 2-O-?-D-Apiofuranosyl C17H24O11 404.131861 NA MeJP NA NA +MJ055705 Arbutin; 6-O-?-D-Apiofuranosyl C17H24O11 404.131861 NA MeJP NA NA +MJ055706 Arbutin; 6-O-?-D-Xylopyranosyl C17H24O11 404.131861 NA MeJP NA NA +MJ055707 Forsythide; 10-Me ester C17H24O11 404.131861 NA MeJP NA NA +MJ055708 Forsythide; 11-Me ester C17H24O11 404.131861 NA MeJP NA NA +MJ055709 Gentioside C17H24O11 404.131861 NA MeJP NA NA +MJ055710 Harpagide; 3'-Ketone, 8-Ac C17H24O11 404.131861 NA MeJP NA NA +MJ055711 Hastatoside C17H24O11 404.131861 NA MeJP NA NA +MJ055712 Kingiside C17H24O11 404.131861 NA MeJP NA NA +MJ055713 Majoroside; 10-Hydroxy C17H24O11 404.131861 NA MeJP NA NA +MJ055714 Monomelittoside; 10-Ac C17H24O11 404.131861 NA MeJP NA NA +MJ055715 Monotropein; Me ester C17H24O11 404.131861 NA MeJP NA NA +MJ055716 Oleoside; 1,5-Diepimer, 11-Me ester C17H24O11 404.131861 NA MeJP NA NA +MJ055717 Oleoside; 11-Me ester C17H24O11 404.131861 NA MeJP NA NA +MJ055718 Scandoside; 6-Epimer, Me ester C17H24O11 404.131861 NA MeJP NA NA +MJ055719 Scandoside; 6-Epimer, O6-Me C17H24O11 404.131861 NA MeJP NA NA +MJ055720 Scandoside; Me ester C17H24O11 404.131861 NA MeJP NA NA +MJ055721 Secogalioside; 10-Deoxy C17H24O11 404.131861 NA MeJP NA NA +MJ055722 Secologanol; 7-Carboxylic acid C17H24O11 404.131861 NA MeJP NA NA +MJ055723 Sesamoside; 5-Deoxy C17H24O11 404.131861 NA MeJP NA NA +MJ055724 Theveside; Me ester C17H24O11 404.131861 NA MeJP NA NA +MJ055725 Theveside; O5-Me C17H24O11 404.131861 NA MeJP NA NA +MJ055726 Verbenalol; O-?-D-Glucopyranoside, 10-hydroxy C17H24O11 404.131861 NA MeJP NA NA +MJ055727 Zaluzioside C17H24O11 404.131861 NA MeJP NA NA +C09779 Gardenoside C17H24O11 404.1319 NA KEGG NA NA +C09798 Scandoside methyl ester C17H24O11 404.1319 NA KEGG NA NA +MJ055728 Enpiroline C19H18F6N2O 404.132332 NA MeJP NA NA +PJ000951 GPCE C15H24N4O7S 404.1366 NA PeJP NA NA +MJ055729 Bentiromide C23H20N2O5 404.137221 NA MeJP NA NA +MJ055730 Cloxypendyl C20H25ClN4OS 404.143759 NA MeJP NA NA +MJ055731 Flustramine D; N-Oxide C21H29BrN2O 404.146326 NA MeJP NA NA +MJ055732 Flustrarine B C21H29BrN2O 404.146326 NA MeJP NA NA +C10708 Mallotophenone C21H24O8 404.1471 NA KEGG NA NA +FL2FEGNS0005 5,6,7,3',4',5'-Hexamethoxyflavanone C21H24O8 404.14711 74064-17-8 knapsack NA NA +FL6FA9GS0001 Koaburanin C21H24O8 404.14711 30984-77-1 knapsack NA NA +MJ055733 1,4-Epoxy-8,10,13-trihydroxy-1,5,7(11)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac C21H24O8 404.147117 NA MeJP NA NA +MJ055734 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-Me ether, 4'-O-?-D-glucopyranoside C21H24O8 404.147117 NA MeJP NA NA +MJ055735 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 4'-Me ether, 3-O-?-D-glucopyranoside C21H24O8 404.147117 NA MeJP NA NA +MJ055736 2,3-Epoxy-1,6,10-trihydroxy-9-furanoeremophilanone, 6-(2-Methylpropenoyl), 1-Ac C21H24O8 404.147117 NA MeJP NA NA +MJ055737 3',4',5,5',6,7-Hexahydroxyflavanone, Hexa-Me ether C21H24O8 404.147117 NA MeJP NA NA +MJ055738 3',4',5,6,7,8-Hexahydroxyflavanone; Hexa-Me ether C21H24O8 404.147117 NA MeJP NA NA +MJ055739 3,10-Epoxy-8,9-dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 9-Ac C21H24O8 404.147117 NA MeJP NA NA +MJ055740 4,4',8,9'-Tetrahydroxy-3',5-dimethoxy-2,7'-cyclolignan-9-oic acid; Me ester C21H24O8 404.147117 NA MeJP NA NA +MJ055741 5,7-Dihydroxyflavan, 7-O-?-D-Glucopyranoside C21H24O8 404.147117 NA MeJP NA NA +MJ055742 5,8,9-Trihydroxy-14-oxo-1(10),4(15),11(13)-germacratrien-12,6-olide, 8-O-(2-Methyl-2-propenoyl), 9-Ac C21H24O8 404.147117 NA MeJP NA NA +MJ055743 8,14,15-Trihydroxy-1,3,11(13)-elematrien-12,6-olide, 15-Aldehyde, 8-O-(2-hydroxymethyl-2-propenoyl), 14-Ac C21H24O8 404.147117 NA MeJP NA NA +MJ055744 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 15-Ac C21H24O8 404.147117 NA MeJP NA NA +MJ055745 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 9-Ac C21H24O8 404.147117 NA MeJP NA NA +MJ055746 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2-Methylpropenoyl), 15-Ac C21H24O8 404.147117 NA MeJP NA NA +MJ055747 Eremantholide C; 15-Acetoxy C21H24O8 404.147117 NA MeJP NA NA +MJ055748 Eusiderin M; 9'-Hydroxy, O4'-de-Me C21H24O8 404.147117 NA MeJP NA NA +MJ055749 Fraxiresinol C21H24O8 404.147117 NA MeJP NA NA +MJ055750 Helipyrone; Di-Ac C21H24O8 404.147117 NA MeJP NA NA +MJ055751 Mallotophenone C21H24O8 404.147117 NA MeJP NA NA +MJ055752 Medioresinol, 9?-Hydroxy C21H24O8 404.147117 NA MeJP NA NA +MJ055753 Norflavaspidic acid AB C21H24O8 404.147117 NA MeJP NA NA +MJ055754 Pseudocyphellarin B C21H24O8 404.147117 NA MeJP NA NA +MJ055755 Sekikaic acid; 4,4'-Di-O-de-Me, 2'-Me ether C21H24O8 404.147117 NA MeJP NA NA +MJ055756 Sekikaic acid; 4-O-De-Me C21H24O8 404.147117 NA MeJP NA NA +PJ000952 PCW C19H24N4O4S 404.1518 NA PeJP NA NA +PJ000953 QEE C15H24N4O9 404.1543 NA PeJP NA NA +PJ000954 GAEE C15H24N4O9 404.1544 NA PeJP NA NA +MJ055757 2,5-Dimethyldodecanoic acid; (Z)-3-Acetoxy-3-bromo-1-propenyl ester C19H33BrO4 404.156222 NA MeJP NA NA +MJ055758 Aknadinine, 1-Nitro C20H24N2O7 404.158351 NA MeJP NA NA +C12220 Myxochelin A C20H24N2O7 404.1584 NA KEGG NA NA +FL1C1ANP0010 Glyinflanin G C25H24O5 404.16237 164123-53-9 knapsack NA NA +FL1CAANP0002 Laxichalcone C25H24O5 404.16237 138079-68-2 knapsack NA NA +FL1CHYNP0005 Glyinflanin D C25H24O5 404.16237 142750-25-2 knapsack NA NA +FL2FAANP0004 Euchrenone a1 C25H24O5 404.16237 116310-61-3 knapsack NA NA +FL3FA9NP0003 Fulvinervin C;(E)-5-Hydroxy-6-(3-hydroxy-3-methyl-1-butenyl)-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one;5-Hydroxy-6-[(1E)-3-hydroxy-3-methyl-1-butenyl]-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C25H24O5 404.16237 104363-11-3 knapsack NA NA +FL3FAANP0004 Laxifolin;5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C25H24O5 404.16237 144049-81-0 knapsack NA NA +FL3FAANP0005 Isolaxifolin;5-Hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one C25H24O5 404.16237 144049-82-1 knapsack NA NA +FL4DA9NP0002 MS II;3-Hydroxy-bis(6'',6''-dimethylpyrano[2'',3'':5,6][2'',3'':7,8]flavanone C25H24O5 404.16237 182926-99-4 knapsack NA NA +FL5FA9NP0001 Sericetin C25H24O5 404.16237 42438-75-5 knapsack NA NA +FL6FDANC0001 4'-Hydroxy-4-(4-hydroxystyryl)-5,7-dimethoxyflavan C25H24O5 404.16237 63524-12-9 knapsack NA NA +FLIAAANP0001 Osajin C25H24O5 404.16237 482-53-1 knapsack NA NA +FLIAAANP0004 Chandalone C25H24O5 404.16237 22263-55-4 knapsack NA NA +FLIAAANP0005 Warangalone;Scandenone C25H24O5 404.16237 4449-55-2 knapsack NA NA +FLIAAANP0006 4'-O-Prenylalpinumisoflavone C25H24O5 404.16237 85985-76-8 knapsack NA NA +FLIAAANP0009 Isochandalone;5,7-Dihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone C25H24O5 404.16237 121747-90-8 knapsack NA NA +FLIAAANP0011 Ulexone A;5,7-Dihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone C25H24O5 404.16237 128988-20-5 knapsack NA NA +FLIE1ANI0005 Puerarol;3,9-Dihydroxy-2-geranylcoumestan C25H24O5 404.16237 155645-56-0 knapsack NA NA +FLNAA9NP0003 Inophyllolide chromanol C25H24O5 404.16237 20307-10-2 knapsack NA NA +FLNAA9NP0006 5-Hydroxy-10-prenyl-7,8-dihydro-7,8-trans-dimethyl-4-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione C25H24O5 404.16237 21824-07-7 knapsack NA NA +FLNAA9NP0007 Mammeigin;5-Hydroxy-6'',6''-dimethyl-6-(3-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin C25H24O5 404.16237 04/11/2289 knapsack NA NA +FLNAA9NP0008 5-Hydroxy-6'',6''-dimethyl-6-(2-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin;MAB5 C25H24O5 404.16237 30390-18-2 knapsack NA NA +MJ055759 2,3-Dihydro-3-hydroxy-6,6,10,10-tetramethyl-2-phenyl-4H,6H,10H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-4-one C25H24O5 404.162373 NA MeJP NA NA +MJ055760 3,9-Dihydroxy-2,10-diprenylcoumestan C25H24O5 404.162373 NA MeJP NA NA +MJ055761 4',7-Dihydroxy-4-(4-hydroxystyryl)flavan, 5-Methoxy, 7-Me ether C25H24O5 404.162373 NA MeJP NA NA +MJ055762 Alpinumisoflavone; 4'-O-(3-Methyl-2-butenyl) C25H24O5 404.162373 NA MeJP NA NA +MJ055763 Calaustralin C25H24O5 404.162373 NA MeJP NA NA +MJ055764 Calophyllolide; 2'',3''-Dihydro, O-de-Me C25H24O5 404.162373 NA MeJP NA NA +MJ055765 Chandalone C25H24O5 404.162373 NA MeJP NA NA +MJ055766 Cyclomammeisin; 1'-Deoxy, 1',2'-didehydro C25H24O5 404.162373 NA MeJP NA NA +MJ055767 Euchrenone a1 C25H24O5 404.162373 NA MeJP NA NA +MJ055768 Ficusin A C25H24O5 404.162373 NA MeJP NA NA +MJ055769 Fulvinervin C C25H24O5 404.162373 NA MeJP NA NA +MJ055770 Glyinflanin D C25H24O5 404.162373 NA MeJP NA NA +MJ055771 Glyinflanin G C25H24O5 404.162373 NA MeJP NA NA +MJ055772 Inophyllum A C25H24O5 404.162373 NA MeJP NA NA +MJ055773 Inophyllum G1 C25H24O5 404.162373 NA MeJP NA NA +MJ055774 Isochandalone C25H24O5 404.162373 NA MeJP NA NA +MJ055775 Isolaxifolin C25H24O5 404.162373 NA MeJP NA NA +MJ055776 Isomammeigin C25H24O5 404.162373 NA MeJP NA NA +MJ055777 Isoosajin C25H24O5 404.162373 NA MeJP NA NA +MJ055778 Laxichalcone C25H24O5 404.162373 NA MeJP NA NA +MJ055779 Laxifolin C25H24O5 404.162373 NA MeJP NA NA +MJ055780 Lespedezol A3 C25H24O5 404.162373 NA MeJP NA NA +MJ055781 MAB 5 C25H24O5 404.162373 NA MeJP NA NA +MJ055782 Mammeigin C25H24O5 404.162373 NA MeJP NA NA +MJ055783 Mesuagin; Me ether C25H24O5 404.162373 NA MeJP NA NA +MJ055784 Osajin C25H24O5 404.162373 NA MeJP NA NA +MJ055785 Ploiariquinone A C25H24O5 404.162373 NA MeJP NA NA +MJ055786 Puerarol C25H24O5 404.162373 NA MeJP NA NA +MJ055787 Scandenone C25H24O5 404.162373 NA MeJP NA NA +MJ055788 Sericetin C25H24O5 404.162373 NA MeJP NA NA +MJ055789 Ulexone A C25H24O5 404.162373 NA MeJP NA NA +C10511 Osajin C25H24O5 404.1624 NA KEGG NA NA +PJ000955 DDR C14H24N6O8 404.1656 NA PeJP NA NA +MJ055790 Lamiol; 6-Deoxy, 8-Ac C18H28O10 404.168247 NA MeJP NA NA +MJ055791 Suspensoside A; 10-Ac C18H28O10 404.168247 NA MeJP NA NA +PJ000956 AEW C19H24N4O6 404.1696 NA PeJP NA NA +PJ000957 GPTM C16H28N4O6S 404.173 NA PeJP NA NA +MJ055792 Abecarnil C24H24N2O4 404.173607 NA MeJP NA NA +MJ055793 Nicocodine C24H24N2O4 404.173607 NA MeJP NA NA +MJ055794 Ascochlorin C23H29ClO4 404.175437 NA MeJP NA NA +MJ055795 Chlormadinone; Ac C23H29ClO4 404.175437 NA MeJP NA NA +MJ055796 Cismadinone; 17-O-Acetate C23H29ClO4 404.175437 NA MeJP NA NA +C09117 Isodonal C22H28O7 404.1835 NA KEGG NA NA +C09361 Chromolaenide C22H28O7 404.1835 NA KEGG NA NA +C09427 Eupacunin C22H28O7 404.1835 NA KEGG NA NA +C09436 Eupaserrin C22H28O7 404.1835 NA KEGG NA NA +C09437 Eupatocunin C22H28O7 404.1835 NA KEGG NA NA +C09572 Ursiniolide A C22H28O7 404.1835 NA KEGG NA NA +MJ055797 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-Tigloyl, 3-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055798 1,10-Epoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl, 14-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055799 1,12:4,18-Diepoxy-6-hydroxy-3-oxo-13-cleroden-16,15-olide, Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055800 1,20-Epoxy-1,3(20),6,10,14-phytapentaene-18,19-dioic acid, 17-Acetoxy C22H28O7 404.183503 NA MeJP NA NA +MJ055801 1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 3-propanoyl C22H28O7 404.183503 NA MeJP NA NA +MJ055802 1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-Tigloyl, 1-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055803 1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-Tigloyl, 3-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055804 1,3,8-Trihydroxy-4,9,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 3-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055805 1,5,6,7-Tetrahydroxy-17-vouacapanoic acid, 17?7 Lactone, 6-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055806 1,6,10-Trihydroxyfuranoeremophilan-9-one, 1-Angeloyl, 6-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055807 1,6,10-Trihydroxyfuranoeremophilan-9-one, 6-Angeloyl, 1-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055808 1,9-Dihydroxy-3,11(13)-eudesmadien-12,8-olide, 9-O-(4-hydroxy-2-methyl-2-butenoyl), 1-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055809 1-(3,4,5-Trihydroxyphenyl)-1-propanol, 3',4',5'-Tri-Me ether, 1-O-[2-(2-methyl-2-butenoyloxymethyl)-2-butenoyl] (Z,Z-) C22H28O7 404.183503 NA MeJP NA NA +MJ055810 1-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3',4',5'-Tri-Me ether, 1-O-[2-(2-methyl-2-butenoyloxymethyl)-2-butenoyl](Z,Z-) C22H28O7 404.183503 NA MeJP NA NA +MJ055811 1-Ethyl-6-hydroxy-4(4-hydroxy-3,5-dimethoxybenzyl)-5,7-dimethoxyisochroman C22H28O7 404.183503 NA MeJP NA NA +MJ055812 14,15-Epoxy-5(15)-isocedrene-9,12,14-triol, 12-Ketone, 14-(2-methylbutanoyl), 9-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055813 15,16-Epoxy-1,12,17-trihydroxy-3,13(16),14-clerodatrien-18,6-olide, 17-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055814 15,16-Epoxy-1,7,12-trihydroxy-3,13(16),14-clerodatrien-18,6-olide, 1-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055815 15,16-Epoxy-6,18,19-trihydroxy-3,13(16),14-clerodatrien-20,12-olide, 19-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055816 15,16-Epoxy-8,9-dihydroxy-7-oxo-13(16),14-labdadien-19,6-olide, 8-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055817 2,3,4-Trihydroxy-10(14),11(13)-guaiadien-12,8-olide, 3-Angeloyl, 2-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055818 2,7-Dihydroxy-3,13-clerodadiene-16,15:18,19-diolide, 2-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055819 2,7-Dihydroxy-3,13-clerodadiene-16,15:18,19-diolide, 7-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055820 2,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 2-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055821 2,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 9-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055822 2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2Z-butenoyl) C22H28O7 404.183503 NA MeJP NA NA +MJ055823 2,8-Dihydroxy-3,13-clerodadiene-6,18:15,16-diolide, 2-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055824 2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4,5-trihydroxyphenyl)-1-propanol; 3,3',4,5'-Tetra-Me ether C22H28O7 404.183503 NA MeJP NA NA +MJ055825 2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4,5-trihydroxyphenyl)-1-propanol; 3,3',5,5'-Tetra-Me ether C22H28O7 404.183503 NA MeJP NA NA +MJ055826 2-[2-(3,4-Dihydroxyphenyl)ethyl]tetrahydro-6-(3,4,5-trihydroxyphenyl)-2H-pyran-4-ol, 3',3'',5''-Tri-Me ether C22H28O7 404.183503 NA MeJP NA NA +MJ055827 3,20:16,17-Diepoxy-6,15-dihydroxy-1,7-kauranedione, 15-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055828 3,3',4,4',5,5'-Hexahydroxy-7,7'-epoxylignan, 3,3',5,5'-Tetra-Me ether C22H28O7 404.183503 NA MeJP NA NA +MJ055829 3,3',4,4',5,9,9'-Heptahydroxylignan, 3',4'-Methylene, 3,4,5-tri-Me ether C22H28O7 404.183503 NA MeJP NA NA +MJ055830 3,3',4,4',5,9-Hexahydroxy-7,9'-epoxylignan, 3,3',4,5-Tetra-Me ether C22H28O7 404.183503 NA MeJP NA NA +MJ055831 3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 3,3',4,4'-Tetra-Me ether C22H28O7 404.183503 NA MeJP NA NA +MJ055832 3,3',4,4',7,7'-Hexahydroxy-9,9'-epoxylignan, 3,3'-Di-Me ether, O7-Et C22H28O7 404.183503 NA MeJP NA NA +MJ055833 3,4-Dihydroxy-7(11),8-eudesmadien-12,8-olide, 3-O-(2,3-Epoxy-2-methylbutanoyl), 4-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055834 3,6,9-Trihydroxy-1(10),4(15),11(13)-germacratrien-12,8-olide, 6(or 9)-Angeloyl, 9(or 6)-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055835 3,6-Dihydroxyfuranoeremophilan-9-one, 6-(2,3-Epoxy-2-methylbutanoyl), 3-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055836 3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl, 3-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055837 3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 3-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055838 3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl, 3-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055839 3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 9-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055840 3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 3-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055841 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 3-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055842 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2Z-butenoyl) C22H28O7 404.183503 NA MeJP NA NA +MJ055843 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl), 3-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055844 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl), 3-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055845 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2Z-butenoyl), 3-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055846 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl), 3-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055847 3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3',4',5'-Tri-Me ether, 1-O-[2-(2-angeloyloxymethyl)-2Z-butenoyl] C22H28O7 404.183503 NA MeJP NA NA +MJ055848 4,18:15,16-Diepoxy-6,12-dihydroxy-13(16),14-clerodadien-20,19-olide, 6-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055849 4,18:15,16-Diepoxy-6,19-dihydroxy-13(16),14-clerodadien-20,12-olide, 19-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055850 4,18:15,16-Diepoxy-6,19-dihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055851 4,18:15,16-Diepoxy-6,19-dihydroxy-13(16),14-clerodadien-20,12-olide, 19-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055852 4,5-Epoxy-8,13-dihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Tigloyl, 13-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055853 4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 8-Angeloyl, 9-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055854 4,6,9-Trihydroxy-1(10),2-guaiadien-12,8-olide, 9-Ac, 6-angeloyl C22H28O7 404.183503 NA MeJP NA NA +MJ055855 4,6,9-Trihydroxy-1(10),2-guaiadien-12,8-olide, 9-Ac, 6-tigloyl C22H28O7 404.183503 NA MeJP NA NA +MJ055856 4,8,13-Trihydroxy-7(11)-bourbonen-12,6-olide, 8-Tigloyl, 13-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055857 4,8,9-Trihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide, 8-(2-Methylbutanoyl), 9-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055858 5,8,9-Trihydroxy-1(10),3-guaiadien-12,6-olide, 9-Angeloyl, 8-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055859 6,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(2-Acetoxymethyl-2E-butenoyl) C22H28O7 404.183503 NA MeJP NA NA +MJ055860 6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 11?,13-Dihydro, 6-(3-methyl-2-butenoyl), 8-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055861 6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 8-(2-Methylbutanoyl), 6-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055862 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 6-(2-Methylbutanoyl), 9-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055863 7,12-Dihydroxy-3,13-clerodadiene-15,16:18,19-diolide, 7-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055864 8,10-Dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-Angeloyl, 10-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055865 8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2-butenoyl)(E-) C22H28O7 404.183503 NA MeJP NA NA +MJ055866 8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 14-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055867 8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Acetoxymethyl-2-butenoyl) (E-) C22H28O7 404.183503 NA MeJP NA NA +MJ055868 8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(4-Acetoxy-2-methyl-2E-butenoyl) C22H28O7 404.183503 NA MeJP NA NA +MJ055869 8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl), 14-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055870 8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Acetoxymethyl-2-butenoyl) (E-) C22H28O7 404.183503 NA MeJP NA NA +MJ055871 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl), 15-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055872 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Methylbutanoyl), 15-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055873 8,17:15,16-Diepoxy-6,9-dihydroxy-13(16),14-labdadien-19,20-olide, 6-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055874 8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 14-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055875 8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 9-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055876 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2R,3R-Epoxy-2-methylbutanoyl), 9-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055877 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 9-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055878 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-4-hydroxy-2E-butenoyl) C22H28O7 404.183503 NA MeJP NA NA +MJ055879 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-2-hydroxymethyl-2E-butenoyl) C22H28O7 404.183503 NA MeJP NA NA +MJ055880 9,10-Epoxy-p-mentha-1,3,5-triene-3,7,8-triol; 3-Angeloyl, 7-(2-methylbutanoyl), 8-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055881 9,10-Epoxy-p-mentha-1,3,5-triene-3,7,8-triol; 3-Angeloyl, 7-(3-methylbutanoyl), 8-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055882 9,13:15,16-Diepoxy-8-hydroxy-7-oxo-14-labden-19,16-olide, 8-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055883 Alysine A; 1-Deoxy, 3-de-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055884 Alysine D C22H28O7 404.183503 NA MeJP NA NA +MJ055885 Binankadsurin B; 4-O-De-Me C22H28O7 404.183503 NA MeJP NA NA +MJ055886 Cyclomammein; 1'-Hydroperoxide C22H28O7 404.183503 NA MeJP NA NA +MJ055887 Dunnianin C22H28O7 404.183503 NA MeJP NA NA +MJ055888 Enmein; 3-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055889 Eremantholide B; 15-Hydroxy, 17,18-didehydro, 16-Et ether C22H28O7 404.183503 NA MeJP NA NA +MJ055890 Floridanolide; 14-Benzoyloxy C22H28O7 404.183503 NA MeJP NA NA +MJ055891 Fredericone C C22H28O7 404.183503 NA MeJP NA NA +MJ055892 Isodonal C22H28O7 404.183503 NA MeJP NA NA +MJ055893 Leopersin F C22H28O7 404.183503 NA MeJP NA NA +MJ055894 Myristicanol A; 3'-Demethoxy C22H28O7 404.183503 NA MeJP NA NA +MJ055895 Neoolivil; 9-Et ether C22H28O7 404.183503 NA MeJP NA NA +MJ055896 Nepetaefolin C22H28O7 404.183503 NA MeJP NA NA +MJ055897 Phyllostachysin A; 11-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055898 Picrasinol C C22H28O7 404.183503 NA MeJP NA NA +MJ055899 Plectranthone H; 7?-Hydroxy C22H28O7 404.183503 NA MeJP NA NA +MJ055900 Ponicidin; 1-Deoxy, 11?-acetoxy C22H28O7 404.183503 NA MeJP NA NA +MJ055901 Quassin; 18-Hydroxy C22H28O7 404.183503 NA MeJP NA NA +MJ055902 Rastronol H C22H28O7 404.183503 NA MeJP NA NA +MJ055903 Scytalidin C22H28O7 404.183503 NA MeJP NA NA +MJ055904 Teucroxide; 2-Deoxy, 18-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055905 Teumicropin; 3-Ac C22H28O7 404.183503 NA MeJP NA NA +MJ055906 Trichorabdal D; 11-Deoxy C22H28O7 404.183503 NA MeJP NA NA +MJ055907 Trichorabdal D; 3-Deoxy C22H28O7 404.183503 NA MeJP NA NA +MJ055908 Trichorabdal E; 11-Deoxy C22H28O7 404.183503 NA MeJP NA NA +MJ055909 Trichorabdal H C22H28O7 404.183503 NA MeJP NA NA +MJ055910 ?-Intermedianol C22H28O7 404.183503 NA MeJP NA NA +PJ000958 KEE C16H28N4O8 404.1907 NA PeJP NA NA +MJ055911 Alcaligin C16H28N4O8 404.190713 NA MeJP NA NA +MJ055912 Gelselegine; 19R-Hydroxy, 11-methoxy C21H28N2O6 404.194736 NA MeJP NA NA +8017 synthetic peptide LWS 404.195 antibacterial Inhouse_peptide NA peptide +MJ055913 Zoamides; !Zoamide B C22H24N6O2 404.196074 NA MeJP NA NA +MJ055914 15-Chloro-8,13-epoxy-14-hydroxy-2,3-seco-2,3-labdanedioic acid C20H33ClO6 404.196566 NA MeJP NA NA +3976 ACE inhibitor LAMA 404.1984 ACE inhibitor Inhouse_peptide NA peptide +FL1CA9NP0007 Boesenbergin A C26H28O4 404.19875 81943-62-6 knapsack NA NA +FL1CA9NP0008 Boesenbergin B C26H28O4 404.19875 93208-46-9 knapsack NA NA +FLIA1ANI0005 7-Geranylformononetin;4'-Methoxy-7-geranyloxyisoflavone C26H28O4 404.19875 130289-24-6 knapsack NA NA +MJ055915 7-Hydroxy-4'-methoxyisoflavone; 7-O-(3,7-Dimethyl-2,6-octadienyl) C26H28O4 404.198759 NA MeJP NA NA +MJ055916 Boesenbergin A C26H28O4 404.198759 NA MeJP NA NA +MJ055917 Boesenbergin B C26H28O4 404.198759 NA MeJP NA NA +MJ055918 Monachosorin A C26H28O4 404.198759 NA MeJP NA NA +MJ055919 Monachosorin C C26H28O4 404.198759 NA MeJP NA NA +7755 soymorphin-7 YPFVVNA 404.19945 MH2+ Inhouse_peptide NA peptide +3588 NA WWPKHG~ 404.1995 MH2+ Inhouse_peptide NA peptide +PJ000959 TER C15H28N6O7 404.202 NA PeJP NA NA +C14922 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate C23H32O4S 404.2021 NA KEGG NA NA +MJ055920 5,11-Epoxy-7-megastigmene-3,6,9-triol, 3-O-?-D-Glucopyranoside C19H32O9 404.204632 NA MeJP NA NA +MJ055921 7-Megastigmene-2,5,6,9-tetrol, 9-Ketone, 5-O-?-D-glucopyranoside C19H32O9 404.204632 NA MeJP NA NA +MJ055922 9-Hydroxy-2,2,4-trimethyl-6-oxo-3-decenoic acid, O-?-D-Glucopyranoside C19H32O9 404.204632 NA MeJP NA NA +PJ000960 SLW C20H28N4O5 404.206 NA PeJP NA NA +MJ055923 Flunarizine C26H26F2N2 404.206405 NA MeJP NA NA +PJ000961 AALM C17H32N4O5S 404.2094 NA PeJP NA NA +MJ055924 Mycothiazole C22H32N2O3S 404.213363 NA MeJP NA NA +3276 NA KPGEPGPK 404.214 MH2+ Inhouse_peptide NA peptide +MJ055925 1(10)-Guaiene-4,6,8-triol, 8-(4-Hydroxy-3-methoxybenzoyl) C23H32O6 404.219888 NA MeJP NA NA +MJ055926 11,17,21-Trihydroxypregn-4-ene-3,20-dione, 21-Ac C23H32O6 404.219888 NA MeJP NA NA +MJ055927 15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 19-Malonyl C23H32O6 404.219888 NA MeJP NA NA +MJ055928 15-Hydroxy-3-cleroden-18,19-olide, 13,14-Didehydro, 15-O-malonyl C23H32O6 404.219888 NA MeJP NA NA +MJ055929 2,3,12,16-Tetrahydroxypregna-4,7-dien-20-one, 16-Ac C23H32O6 404.219888 NA MeJP NA NA +MJ055930 2,3,14-Trihydroxy-11-oxo-20(22)-cardenolide C23H32O6 404.219888 NA MeJP NA NA +MJ055931 3,11,14-Trihydroxy-12-oxocard-20(22)-enolide C23H32O6 404.219888 NA MeJP NA NA +MJ055932 3,12,14-Trihydroxypregn-5-ene-15,20-dione, 12-Ac C23H32O6 404.219888 NA MeJP NA NA +MJ055933 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide C23H32O6 404.219888 NA MeJP NA NA +MJ055934 3,14,16-Trihydroxy-19-oxo-5?H-card-20(22)-enolide C23H32O6 404.219888 NA MeJP NA NA +MJ055935 3,3',4,4',9,9'-Hexahydroxylignan, 3,3',4,4',9-Penta-Me ether C23H32O6 404.219888 NA MeJP NA NA +MJ055936 3,4-Epoxy-7(14),10-bisaboladiene-1,2,8-triol; 2-Ketone, 8-(2-hexenoyl)(Z-), 1-Ac C23H32O6 404.219888 NA MeJP NA NA +MJ055937 3,4-Epoxy-8,10-guaianediol; 8-(3-Hydroxy-4-methoxybenzoyl) C23H32O6 404.219888 NA MeJP NA NA +MJ055938 3,4-Epoxy-8,10-guaianediol; 8-(4-Hydroxy-3-methoxybenzoyl) C23H32O6 404.219888 NA MeJP NA NA +MJ055939 3,5,14,19-Tetrahydroxycarda-16,20(22)-dienolide C23H32O6 404.219888 NA MeJP NA NA +MJ055940 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide C23H32O6 404.219888 NA MeJP NA NA +MJ055941 3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 3,8-Bis(2-methylpropanoyl) C23H32O6 404.219888 NA MeJP NA NA +MJ055942 4,15:6,7-Diepoxy-1,8-dihydroxy-5-hirsutanone, 8-Ketone, 1-octanoyl C23H32O6 404.219888 NA MeJP NA NA +MJ055943 4,5-Epoxy-1(10)-germacrene-6,8-diol, 4-Hydroxy-3-methoxybenzoyl C23H32O6 404.219888 NA MeJP NA NA +MJ055944 4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-(4-Hydroxy-3-methoxybenzoyl) C23H32O6 404.219888 NA MeJP NA NA +MJ055945 5,9-Epoxy-10,12-daucanediol, 12-(4-Hydroxy-3-methoxybenzoyl) C23H32O6 404.219888 NA MeJP NA NA +MJ055946 6,7-Dihydroxy-17-vouacapanoic acid, 6-Ac, Me ester C23H32O6 404.219888 NA MeJP NA NA +MJ055947 6,7-Epoxy-1-hydroxy-5-oxo-4(15)-hirsuten-12-oic acid, 1-Octanoyl C23H32O6 404.219888 NA MeJP NA NA +MJ055948 7,12,16-Trihydroxy-8,12-abietadiene-11,14-dione, 7-Me ether, 16-Ac C23H32O6 404.219888 NA MeJP NA NA +MJ055949 7,8-Epoxy-3,12,14-trihydroxycard-20(22)-enolide C23H32O6 404.219888 NA MeJP NA NA +MJ055950 7-Daucene-4,6,9-triol, 6-(4-Hydroxy-3-methoxybenzoyl) C23H32O6 404.219888 NA MeJP NA NA +MJ055951 7-Hydroxy-1,3,11-cembratrien-20,8-olid-18-oic acid, 7-Ac, Me ester C23H32O6 404.219888 NA MeJP NA NA +MJ055952 8,9-Epoxy-4,6-daucanediol, 6-(4-Hydroxy-3-methoxybenzoyl) C23H32O6 404.219888 NA MeJP NA NA +MJ055953 8-Daucene-2,4,6-triol, 6-(4-Hydroxy-3-methoxybenzoyl) C23H32O6 404.219888 NA MeJP NA NA +MJ055954 8-Daucene-4,6,10-triol, 6-(4-Hydroxy-3-methoxybenzoyl) C23H32O6 404.219888 NA MeJP NA NA +MJ055955 Antibiotic K76; 7'-Alcohol C23H32O6 404.219888 NA MeJP NA NA +MJ055956 Calotropagenin C23H32O6 404.219888 NA MeJP NA NA +MJ055957 Fexerol; 1-(4-Hydroxy-3-methoxybenzoyl) C23H32O6 404.219888 NA MeJP NA NA +MJ055958 Memnoconol C23H32O6 404.219888 NA MeJP NA NA +MJ055959 Quassin; 1?-Alcohol, Me ether C23H32O6 404.219888 NA MeJP NA NA +MJ055960 Recedensic acid C23H32O6 404.219888 NA MeJP NA NA +MJ055961 Shikoccin; 8?,14?-Epoxide, 7-Me ether C23H32O6 404.219888 NA MeJP NA NA +MJ055962 Spirolaxine C23H32O6 404.219888 NA MeJP NA NA +MJ055963 Trichoverrol A; 15-Deoxy C23H32O6 404.219888 NA MeJP NA NA +MJ055964 Trichoverrol A; 7'-Epimer, 15-deoxy C23H32O6 404.219888 NA MeJP NA NA +MetaCyc03405 cortisol 21-acetate [Hydrocortisone acetate;] C23H32O6 404.219889 50-03-3 metacyc NA NA +C02821 Cortisol 21-acetate C23H32O6 404.2199 NA KEGG NA NA +PJ000962 VMR C16H32N6O4S 404.2206 NA PeJP NA NA +MJ055965 Altapizone C24H28N4O2 404.221226 NA MeJP NA NA +PJ000963 ATTL C17H32N4O7 404.2271 NA PeJP NA NA +MJ055966 Benzquinamide C22H32N2O5 404.231122 NA MeJP NA NA +MJ055967 Dimetagrel C22H32N2O5 404.231122 NA MeJP NA NA +C14645 Estradiol-17-phenylpropionate C27H32O3 404.2351 NA KEGG NA NA +CJneg0594 Heptylmalonic acid [(2M-H)]- C20H35O8 404.240925 C18rt(min)=6.05 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0594 Heptylmalonic acid [(2M-H)]- C20H35O8 404.240925 C18rt(min)=6.05 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +HMDB00447 7a,12a-Dihydroxy-3-oxo-4-cholenoic acid C24H36O5 404.25626 http://www.hmdb.ca/metabolites/HMDB00447 HMDB NA NA +HMDB00447 7a,12a-Dihydroxy-3-oxo-4-cholenoic acid C24H36O5 404.25626 HMDB00447 PFEM_hmdb_metabocards_official NA NA +MJ055968 1(15),8(19)-Trinervitadiene-2,3,9-triol, 2,3-Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055969 1(15),8-Dolastadiene-4,6,14-triol, 4,6-Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055970 1(15),8-Dolastadiene-4,7,14-triol, 4,7-Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055971 1(15),8-Dolastadiene-6,7,14-triol, 6,7-Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055972 1,3,7,11-Cembratetraene-13,14-diol, 11S,12R-Epoxide, 13,14-di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055973 10,12-Epoxy-4,10-seco-2,13(15),17-spatatriene-5,10,12-triol, 10,12-Di-Me ether, 5-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055974 10,18-Dihydroxy-2,8-dolabelladien-6-one, Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055975 11,15(17)-Trinervitadiene-3,9,13-triol, 3,13-Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055976 15,16-Dihydroxy-12-isocopalen-11-one; Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055977 15,16-Epoxy-3,12-clerodadiene-15,16-diol, Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055978 15,16-Epoxy-4(18),12-clerodadiene-15,16-diol, Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055979 15,17-Dihydroxy-12-isocopalen-16-al; Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055980 15,17-Dihydroxy-3,13-clerodadien-2-one, Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055981 15-Beyerene-1,12,17-triol, 1,12-Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055982 15-Beyerene-1,12,17-triol, 1,17-Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055983 15-Kaurene-7,17,18-triol, 7,17-Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055984 16-Kaurene-3,19-diol, 19-Succinoyl ester C24H36O5 404.256274 NA MeJP NA NA +MJ055985 2,5-Dihydroxy-3-methyl-6-(10-pentadecenyl)-1,4-benzoquinone, 2-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055986 2,5-Dihydroxy-3-methyl-6-(10-pentadecenyl)-1,4-benzoquinone, 5-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055987 2,7-Dolabelladiene-6,10,18-triol, 6-Ketone, di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055988 2,9:3,16-Diepoxy-7(19)-asbestinene-4,11-diol, 4-Ketone, 11-butanoyl C24H36O5 404.256274 NA MeJP NA NA +MJ055989 3,12-Cyathadiene-11,14,15-triol, 11,15-Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055990 3,9-Dihydroxy-15-kauren-19-oic acid, 3-(2-Methylpropanoyl) C24H36O5 404.256274 NA MeJP NA NA +MJ055991 6,13-Epoxy-3,8-eunicelladiene-2,12-diol, Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055992 7,11,14-Labdatriene-6,13,17-triol, 6,17-Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055993 7,13-Dihydroxy-3,14-clerodadien-2-one, Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055994 8(14),15-Isopimaradiene-1,7,11-triol, 1,11-Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055995 Antibiotic CJ 13104; 13'-Ketone C24H36O5 404.256274 NA MeJP NA NA +MJ055996 Dictyotriol A; 9,12-Di-Ac C24H36O5 404.256274 NA MeJP NA NA +MJ055997 Hexanorcucurbitacin F C24H36O5 404.256274 NA MeJP NA NA +MJ055998 Lucidone C C24H36O5 404.256274 NA MeJP NA NA +MJ055999 Mevinolin C24H36O5 404.256274 NA MeJP NA NA +MJ056000 Udoteal; 6,7-Dihydro C24H36O5 404.256274 NA MeJP NA NA +MetaCyc03406 lovastatin [] C24H36O5 404.256274 NA metacyc NA NA +HMDB00447 7a,12a-Dihydroxy-3-oxo-4-cholenoic acid C24H36O5 404.256287 NA HMDB2010 NA NA +C07074 Lovastatin C24H36O5 404.2563 NA KEGG NA NA +C15568 7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate C24H36O5 404.2563 NA KEGG NA NA +MJ056001 Retelliptine C25H32N4O 404.257611 NA MeJP NA NA +MJ056002 Iguesterin C28H36O2 404.27153 NA MeJP NA NA +MJ056003 Mepitiostane C25H40O2S 404.274901 NA MeJP NA NA +MJ056004 12,14-Labdadiene-6,7,8-triol, 6-Angeloyl C25H40O4 404.292659 NA MeJP NA NA +MJ056005 15-Isopimarene-8,11,12-triol, 11-(3-Methyl-2-butenoyl) C25H40O4 404.292659 NA MeJP NA NA +MJ056006 15-Isopimarene-8,11,12-triol, 11-Tigloyl C25H40O4 404.292659 NA MeJP NA NA +MJ056007 16-Hydroxy-8(17),13-labdadien-15-oic acid, O-(2-Methylbutanoyl) C25H40O4 404.292659 NA MeJP NA NA +MJ056008 17,19-Kauranediol, 19-Carboxylic acid, 17-(2-methylbutanoyl) C25H40O4 404.292659 NA MeJP NA NA +MJ056009 17,19-Kauranediol, 19-Carboxylic acid, 17-(3-methylbutanoyl) C25H40O4 404.292659 NA MeJP NA NA +MJ056010 2-Heptadecenyl-3-hydroxy-5-(hydroxymethyl)-6-methylbenzoquinone C25H40O4 404.292659 NA MeJP NA NA +MJ056011 24,25-Epoxy-16-scalarene-3,12,25-triol C25H40O4 404.292659 NA MeJP NA NA +MJ056012 3-(4-Hydroxyphenyl)-2-propenoic acid, 16-Hydroxyhexadecyl ester C25H40O4 404.292659 NA MeJP NA NA +MJ056013 3-Heptadecyl-2,5-dihydroxybenzoquinone; 10',11'Z-Didehydro, 5-Et ether C25H40O4 404.292659 NA MeJP NA NA +MJ056014 8(14)-Abietene-6,7,13-triol, 6-(3-Methyl-2-butenoyl) C25H40O4 404.292659 NA MeJP NA NA +MJ056015 8(14)-Abietene-6,7,13-triol, 7-(3-Methyl-2-butenoyl) C25H40O4 404.292659 NA MeJP NA NA +MJ056016 Luffarin I; 17,18-Dihydro C25H40O4 404.292659 NA MeJP NA NA +MJ056017 Luffariolide C C25H40O4 404.292659 NA MeJP NA NA +MJ056018 Neomanoalide, 2,3-Dihydro C25H40O4 404.292659 NA MeJP NA NA +MJ056019 Trixagol; Malonyl, Et ester C25H40O4 404.292659 NA MeJP NA NA +HMDB11555 MG(0:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C25H40O4 404.292664 NA HMDB2010 NA NA +HMDB11556 MG(0:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C25H40O4 404.292664 NA HMDB2010 NA NA +HMDB11585 MG(22:5(4Z,7Z,10Z,13Z,16Z)/0:0/0:0) C25H40O4 404.292664 NA HMDB2010 NA NA +HMDB11586 MG(22:5(7Z,10Z,13Z,16Z,19Z)/0:0/0:0) C25H40O4 404.292664 NA HMDB2010 NA NA +C14624 Androstane-3,17-diol dipropionate C25H40O4 404.2927 NA KEGG NA NA +MJ056020 Nexopamil C24H40N2O3 404.303893 NA MeJP NA NA +MJ056021 9,10,12,13-Tetrahydroxydocosanoic acid C22H44O6 404.313789 NA MeJP NA NA +MJ056022 1-(3,4-Dihydroxyphenyl)-5-eicosanone C26H44O3 404.329045 NA MeJP NA NA +MJ056023 2-(4-Hydroxyphenyl)ethanol; 1-O-Octadecanoyl C26H44O3 404.329045 NA MeJP NA NA +MJ056024 2-Hydroxy-6-nonadecyl-1,4-benzoquinone; Me ether C26H44O3 404.329045 NA MeJP NA NA +MJ056025 7,13-Labdadiene-3,15-diol, 15-(3-Methylpentanoyl) C26H44O3 404.329045 NA MeJP NA NA +MJ056026 Capiquinones; Capiquinone C C26H44O3 404.329045 NA MeJP NA NA +MJ056027 Kurcholessine C25H44N2O2 404.340278 NA MeJP NA NA +MJ056028 Malouphyllinine C25H44N2O2 404.340278 NA MeJP NA NA +MJ056029 2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,18,22-tetracosanonaene C30H44 404.344301 NA MeJP NA NA +MJ056030 2,6,10,15,19,23-Hexamethyl-2,6,8,10,12,14,16,18,22-tetracosanonaene C30H44 404.344301 NA MeJP NA NA +C05424 5alpha-Cholestan-5alpha,6beta-diol C27H48O2 404.3654 NA KEGG NA NA +C05452 3alpha,7alpha-Dihydroxy-5beta-cholestane C27H48O2 404.3654 NA KEGG NA NA +HMDB06893 3a,7a-Dihydroxy-5b-cholestane C27H48O2 404.365417 NA HMDB2010 NA NA +HMDB06893 3alpha,7alpha-Dihydroxy-5beta-cholestane C27H48O2 404.36542 http://www.hmdb.ca/metabolites/HMDB06893 HMDB NA NA +HMDB06893 3alpha,7alpha-Dihydroxy-5beta-cholestane C27H48O2 404.36542 HMDB06893 PFEM_hmdb_metabocards_official NA NA +MJ056031 5,9,20-Heptacosatrienoic acid C27H48O2 404.36543 NA MeJP NA NA +MJ056032 5-Heneicosyl-1,3-benzenediol C27H48O2 404.36543 NA MeJP NA NA +MJ056033 Amphimic acid C C27H48O2 404.36543 NA MeJP NA NA +MJ056034 Cholestane-3,21-diol C27H48O2 404.36543 NA MeJP NA NA +MJ056035 Lepidiumterpenoid C27H48O2 404.36543 NA MeJP NA NA +MJ056036 3alpha,7alpha-Dihydroxy-5beta-cholestane C27H48O2 404.36543 NA MeJP NA NA +MetaCyc03407 (22α)-hydroxy-cholestanol [22-OH-cholestanol;22-OH-CHN;] C27H48O2 404.365431 NA metacyc NA NA +MJ056037 1,20-Nonacosadiene C29H56 404.438201 NA MeJP NA NA +MJ056038 7,11-Nonacosadiene C29H56 404.438201 NA MeJP NA NA +8152 peptide derived from ovine aS2-casein (203û208) PYVRYL 404.7155 MH2+ Inhouse_peptide NA peptide +8178 peptide derived from ovine aS2-casein (203û208) PYVRYL 404.7155 MH2+ Inhouse_peptide NA peptide +8262 f(203-208) of ovine alpha s2-casein PYVRYL 404.7155 MH2+ Inhouse_peptide NA peptide +MJ056039 3-(3,5-Dibromo-4-hydroxyphenyl)-2-propenoic acid, 4-O-(3-Dimethylaminopropyl) C14H17Br2NO3 404.957518 NA MeJP NA NA +MJ056040 Paraflutizide C14H13ClFN3O4S2 405.002003 NA MeJP NA NA +C08118 Ceftizoxime sodium C13H12N5O5S2 405.0178 NA KEGG NA NA +C08119 Transferred to D00924 C13H12N5O5S2 405.0178 NA KEGG NA NA +C08120 Transferred to D00925 C13H12N5O5S2 405.0178 NA KEGG NA NA +C08121 Transferred to D00926 C13H12N5O5S2 405.0178 NA KEGG NA NA +MJ056041 (1,2-Cyclohexanediamine)sulfatoplatinum(II) C6H14N2O4PtS 405.032202 NA MeJP NA NA +MJ056042 Dysidamide C; N-(4,4-Dichloro-3-methylbutanoyl) C15H23Cl4NO3 405.043204 NA MeJP NA NA +C08406 Glucocleomin C12H23NO10S2 405.0763 NA KEGG NA NA +MJ056043 2-Hydroxy-2-methylbutyl glucosinolate C12H23NO10S2 405.076337 NA MeJP NA NA +MJ056044 2-Hydroxypentyl glucosinolate C12H23NO10S2 405.076337 NA MeJP NA NA +MJ056045 Benzopyrronium(1+), Bromide C20H24BrNO3 405.093956 NA MeJP NA NA +MJ056046 Cefaloglycin C18H19N3O6S 405.099456 NA MeJP NA NA +C13440 Cefaloglycin C18H19N3O6S 405.0995 NA KEGG NA NA +MJ056047 Cromitrile C20H15N5O5 405.107318 NA MeJP NA NA +MJ056048 5-Chloro-2-[3-(4-methoxyphenyl)-2-(2-pyridinyl)-1-pyrrolidinyl]benzoxazole C23H20ClN3O2 405.124404 NA MeJP NA NA +3351 Stimulating vasoactive substance release EEE 405.126 celiac toxic Inhouse_peptide NA peptide +MJ056049 Morclofone C21H24ClNO5 405.1343 NA MeJP NA NA +MJ056050 Oxetacillin C19H23N3O5S 405.135841 NA MeJP NA NA +PJ000964 EEE C15H23N3O10 405.1384 NA PeJP NA NA +MJ056051 4-Hydroxyphenylacetic acid; Nitrile, O-(tri-O-acetyl-?-L-rhamnopyranoside) C20H23NO8 405.142366 NA MeJP NA NA +MJ056052 Mazaticol C21H27NO3S2 405.143235 NA MeJP NA NA +MJ056053 Isonaamidine A C21H19N5O4 405.143704 NA MeJP NA NA +PJ000965 CHF C18H23N5O4S 405.1471 NA PeJP NA NA +PJ000966 GSNE C14H23N5O9 405.1496 NA PeJP NA NA +MJ056054 Diplamine; N-De-Ac, N-(3-methylbutanoyl) C23H23N3O2S 405.151097 NA MeJP NA NA +8225 antioxidative peptide SWN 405.1539 NA ;SYN:(-)-a-Amino-p-hydroxyhydrocinnamate; (-)-a-Amino-p-hydroxyhydrocinnamic acid; (-)-alpha-Amino-p-hydroxyhydrocinnamate; (-)-alpha-Amino-p-hydroxyhydrocinnamic acid; (S)-(-)-Tyrosine; (S)-2-Amino-3-(p-hydroxyphenyl)propionate; (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid; (S)-3-(p-Hydroxyphenyl)alanine; (S)-Tyrosine; (S)-a-Amino-4-hydroxybenzenepropanoate; (S)-a-Amino-4-hydroxybenzenepropanoic acid; (S)-a-amino-4-hydroxy-Benzenepropanoate; (S)-a-amino-4-hydroxy-Benzenepropanoic acid; (S)-alpha-amino-4-hydroxy-Benzenepropanoate; (S)-alpha-amino-4-hydroxy-Benzenepropanoic acid; 2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoate; 2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoic acid; 3-(4-Hydroxyphenyl)-L-alanine; 4-hydroxy-L-Phenylalanine; Benzenepropanoate; Benzenepropanoic acid; L-p-Tyrosine; L-tyrosine; Tyr; Tyrosine; p-Tyrosine; (S)-alpha-Amino-4-hydroxybenzenepropanoate; (S)-alpha-Amino-4-hydroxybenzenepropanoic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +C12200 (+/-)-6-Acetonyldihydrochelerythrine C24H23NO5 405.1576 NA KEGG NA NA +MJ056055 8-(4-Hydroxybenzyl)-3-methoxy-2,9,10-berbintriol; 9-Deoxy, 11-hydroxy, O-de-Me C24H23NO5 405.157622 NA MeJP NA NA +MJ056056 8-Acetonyldihydrochelerythrine C24H23NO5 405.157622 NA MeJP NA NA +MJ056057 8-Acetonyldihydronitidine C24H23NO5 405.157622 NA MeJP NA NA +PJ000967 SNW C18H23N5O6 405.1648 NA PeJP NA NA +MJ056058 Roseoflavin C18H23N5O6 405.164833 NA MeJP NA NA +PJ000968 GGSW C18H23N5O6 405.1649 NA PeJP NA NA +PJ000969 QQM C15H27N5O6S 405.1682 NA PeJP NA NA +MJ056059 Nebivolol C22H25F2NO4 405.175164 NA MeJP NA NA +MJ056060 Cytomycin C17H23N7O5 405.176066 NA MeJP NA NA +C01567 Cytomycin C17H23N7O5 405.1761 NA KEGG NA NA +C01568 D-Agatose C17H23N7O5 405.1761 NA KEGG NA NA +MJ056061 Clivorine C21H27NO7 405.178752 NA MeJP NA NA +C10282 Clivoline C21H27NO7 405.1788 NA KEGG NA NA +PJ000970 CQR C14H27N7O5S 405.1795 NA PeJP NA NA +C06917 Clomiphene C26H28ClNO 405.1859 NA KEGG NA NA +C08166 Toremifene C26H28ClNO 405.1859 NA KEGG NA NA +C08167 Transferred to D00967 C26H28ClNO 405.1859 NA KEGG NA NA +C08168 Transferred to D00968 C26H28ClNO 405.1859 NA KEGG NA NA +MJ056062 Clomifene C26H28ClNO 405.185942 NA MeJP NA NA +MJ056063 Toremifene C26H28ClNO 405.185942 NA MeJP NA NA +PJ000971 GSDK C15H27N5O8 405.186 NA PeJP NA NA +MJ056064 Febarbamate C20H27N3O6 405.189985 NA MeJP NA NA +MJ056065 Imidaprilat; 1'-Et ester C20H27N3O6 405.189985 NA MeJP NA NA +C06449 Myxochlin B C20H27N3O6 405.19 NA KEGG NA NA +MJ056066 3,4-Dihydro-5-(4-hydroxy-5-methoxy-2-methyl-1-naphthalenyl)-8-hydroxy-6-methoxy-1,3-dimethylisoquinoline; 4'-Me ether C25H27NO4 405.194008 NA MeJP NA NA +MJ056067 3,4-Dihydro-5-(4-hydroxy-5-methoxy-2-methyl-1-naphthalenyl)-8-hydroxy-6-methoxy-1,3-dimethylisoquinoline; 8-Me ether C25H27NO4 405.194008 NA MeJP NA NA +MJ056068 Ancistrobrevine C C25H27NO4 405.194008 NA MeJP NA NA +MJ056069 Ancistrocladine; 1,2-Didehydro C25H27NO4 405.194008 NA MeJP NA NA +MJ056070 Ancistrocladine; Atropisomer, 1,2-didehydro C25H27NO4 405.194008 NA MeJP NA NA +MJ056071 Ancistrocladisine; O6-De-Me C25H27NO4 405.194008 NA MeJP NA NA +MJ056072 Ancistrotectorine; N-De-Me, 1,2-didehydro C25H27NO4 405.194008 NA MeJP NA NA +PJ000972 GSSR C14H27N7O7 405.1972 NA PeJP NA NA +MJ056073 Gerambullin C22H31NO4S 405.197379 NA MeJP NA NA +3301 NA HLH 405.2 celiac toxic Inhouse_peptide NA peptide +3302 NA LHH 405.2 celiac toxic Inhouse_peptide NA peptide +7478 ACE inhibitor HHL 405.2 antioxidative Inhouse_peptide NA peptide +7909 synthetic peptide IHH 405.2 antioxidative Inhouse_peptide NA peptide +7984 synthetic peptide HIH 405.2 hypotensive Inhouse_peptide NA peptide +MJ056074 Nifekalant C19H27N5O5 405.201218 NA MeJP NA NA +PJ000973 QKM C16H31N5O5S 405.2046 NA PeJP NA NA +MJ056075 Isoechinulin A; 3e,3h-Didehydro, 5b,5c-epoxide C24H27N3O3 405.205241 NA MeJP NA NA +MJ056076 Trequinsin C24H27N3O3 405.205241 NA MeJP NA NA +MJ056077 Halichlorine C23H32ClNO3 405.207071 NA MeJP NA NA +PJ000974 LHH C18H27N7O4 405.2125 NA PeJP NA NA +MJ056078 Lorpiprazole C21H26F3N5 405.21403 NA MeJP NA NA +C08690 Icacine C22H31NO6 405.2151 NA KEGG NA NA +MJ056079 Akirine C22H31NO6 405.215137 NA MeJP NA NA +MJ056080 Icacine C22H31NO6 405.215137 NA MeJP NA NA +MJ056081 Kiridine C22H31NO6 405.215137 NA MeJP NA NA +MJ056082 Tuberostemoninol C22H31NO6 405.215137 NA MeJP NA NA +MJ056083 Tuberostemonone C22H31NO6 405.215137 NA MeJP NA NA +PJ000975 CKR C15H31N7O4S 405.2158 NA PeJP NA NA +MJ056084 Terbogrel C23H27N5O2 405.216475 NA MeJP NA NA +PJ000976 GTTK C16H31N5O7 405.2224 NA PeJP NA NA +MJ056085 Cinpropazide C21H31N3O5 405.226371 NA MeJP NA NA +MJ056086 Lisinopril C21H31N3O5 405.226371 NA MeJP NA NA +HMDB01938 Lisinopril C21H31N3O5 405.226379 NA HMDB2010 NA NA +HMDB01938 Lisinopril C21H31N3O5 405.22638 http://www.hmdb.ca/metabolites/HMDB01938 HMDB NA NA +HMDB01938 Lisinopril C21H31N3O5 405.22638 HMDB01938 PFEM_hmdb_metabocards_official NA NA +C02825 Cypridina luciferin C22H27N7O 405.2277 NA KEGG NA NA +MetaCyc03408 cypridina luciferin [] C22H27N7O1 405.227709 NA metacyc NA NA +MJ056087 2-Methyl-3-oxo-2-azabicyclo[2.2.2]oct-6-yl ?-methyl[1,1'-biphenyl]-4-pentanoate C26H31NO3 405.230393 NA MeJP NA NA +MJ056088 Lavanduquinocin C26H31NO3 405.230393 NA MeJP NA NA +MJ056089 Spongidine D C23H36NO3S(+) 405.233764 NA MeJP NA NA +PJ000977 KKM C17H35N5O4S 405.241 NA PeJP NA NA +MJ056090 Befiperide C25H31N3O2 405.241627 NA MeJP NA NA +MJ056091 Celacinnine C25H31N3O2 405.241627 NA MeJP NA NA +MJ056092 Maytenine C25H31N3O2 405.241627 NA MeJP NA NA +MJ056093 Periphylline; 2,3-Dihydro C25H31N3O2 405.241627 NA MeJP NA NA +C13788 UCL 1608 C30H31N 405.2457 NA KEGG NA NA +C13789 Trichomycin C58H82N2O17 405.2457 NA KEGG NA NA +MJ056094 Acoseptrine; 8,10-Dideoxy, 6-ketone C23H35NO5 405.251523 NA MeJP NA NA +MJ056095 Karakoline; O16-De-Me, O16-Ac C23H35NO5 405.251523 NA MeJP NA NA +MJ056096 Leuconine C23H35NO5 405.251523 NA MeJP NA NA +MJ056097 Nevadensine; 7-Deoxy C23H35NO5 405.251523 NA MeJP NA NA +MJ056098 Pentagydine; 7-Deoxy, 6?-methoxy C23H35NO5 405.251523 NA MeJP NA NA +C17708 Fortimicin A C17H35N5O6 405.2587 NA KEGG NA NA +MJ056099 Fortimicin A C17H35N5O6 405.258733 NA MeJP NA NA +MJ056100 Fortimicin KO1; N2'-Aminoacetyl C17H35N5O6 405.258733 NA MeJP NA NA +C08670 Cassaine C24H39NO4 405.2879 NA KEGG NA NA +MJ056101 16-Isocyano-4,6,8,10-tetramethoxy-11,13-dimethyl-1,11,13,15-heptadecatetraene C24H39NO4 405.287908 NA MeJP NA NA +MJ056102 16-Isocyano-4,6,8,10-tetramethoxy-13-methyl-11-methylene-1,12,15-heptadecatriene C24H39NO4 405.287908 NA MeJP NA NA +MJ056103 Cassaine C24H39NO4 405.287908 NA MeJP NA NA +MJ056104 Karakoline; O1,O8-Di-Me C24H39NO4 405.287908 NA MeJP NA NA +MJ056105 Karakoline; O8,O14-Di-Me C24H39NO4 405.287908 NA MeJP NA NA +MJ056106 24,25-Dehydro-10,11-dihydroaflavinine C28H39NO 405.303164 NA MeJP NA NA +MJ056107 Aflavinine C28H39NO 405.303164 NA MeJP NA NA +MJ056108 Emeniveol C28H39NO 405.303164 NA MeJP NA NA +MJ056109 Emindole SB C28H39NO 405.303164 NA MeJP NA NA +MJ056110 Nominine C28H39NO 405.303164 NA MeJP NA NA +MJ056111 Petromindole C28H39NO 405.303164 NA MeJP NA NA +MJ056112 Radarin B; 6-Deoxy, 7'-ketone C28H39NO 405.303164 NA MeJP NA NA +MJ056113 Minaxolone C25H43NO3 405.324294 NA MeJP NA NA +MJ056114 Methyl 3-alkylpyrrole-2-carboxylates; Methyl 3-eicosyl-1H-pyrrole-2-carboxylate C26H47NO2 405.360679 NA MeJP NA NA +MJ056115 Hispidospermidin C25H47N3O 405.371913 NA MeJP NA NA +C18111 1,2,3,4,6,7,8-Heptachlorodibenzofuran C12HCl7O 405.7847 NA KEGG NA NA +C18112 1,2,3,4,7,8,9-Heptachlorodibenzofuran C12HCl7O 405.7847 NA KEGG NA NA +C14176 Chlordane C10H6Cl8 405.7978 NA KEGG NA NA +MJ056116 1,6,8-Tribromo-2-chloro-3(8)-ochtodene C10H14Br3Cl 405.833416 NA MeJP NA NA +MJ056117 Ethylenediaminetetraacetic acid; Di-Co salt C10H12Co2N2O8 405.925765 NA MeJP NA NA +MJ056118 8-Bromo-2-(3-bromo-1,2-propadienyl)-6,9-epoxy-5-ethyldecahydrofuro[3,2-b]oxonin C15H20Br2O3 405.977919 NA MeJP NA NA +MJ056119 Diclazuril C17H9Cl3N4O2 405.979108 NA MeJP NA NA +MJ056120 16,16-Dibromo-15-hexadecen-5-ynoic acid C16H24Br2O2 406.014305 NA MeJP NA NA +MJ056121 Molokaiamine; N2',N2',N3'',N3''-Tetra-Me C15H24Br2N2O 406.025538 NA MeJP NA NA +MJ056122 2-Hydroxy-3-(sulfooxy)propyl-5-deoxy-5-(trimethylarsonio)-?-D-ribofuranoside C11H23AsO9S 406.027874 NA MeJP NA NA +CJpos0786 Citric acid [2M+Na]+ C12H16O14Na 406.035375 C18rt(min)=1.09 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0786 Citric acid [2M+Na]+ C12H16O14Na 406.035375 C18rt(min)=1.09 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ056123 Topsentin A; 7-Bromo, 13,14-dihydro C20H15BrN4O 406.042923 NA MeJP NA NA +MJ056124 Cyclographin C19H15ClO8 406.045545 NA MeJP NA NA +MJ056125 Virensic acid; 2-Chloro, Me ester C19H15ClO8 406.045545 NA MeJP NA NA +MJ056126 Carpetimycin A; S-Deoxy, O-sulfate C14H18N2O8S2 406.050456 NA MeJP NA NA +MJ056127 Thienamycin; 6,8-Diepimer, 1',2'-didehydro, N-propanoyl, O-sulfate C14H18N2O8S2 406.050456 NA MeJP NA NA +C16411 4,4',6,6'-Tetranitro-2,2'-azoxytoluene C14H10N6O9 406.0509 NA KEGG NA NA +C16412 2,4',6,6'-Tetranitro-2',4-azoxytoluene C14H10N6O9 406.0509 NA KEGG NA NA +C16413 2,2',6,6'-Tetranitro-4,4'-azoxytoluene C14H10N6O9 406.0509 NA KEGG NA NA +MJ056128 Trifuhalol A; 4-Hydroxy C18H14O11 406.053611 NA MeJP NA NA +MJ056129 Trifuhalol B; 5'-Hydroxy C18H14O11 406.053611 NA MeJP NA NA +MJ056130 1-O-p-Coumaroylglucose; ?-D-form, 2-O-Sulfate C15H18O11S 406.056982 NA MeJP NA NA +MJ056131 1-O-p-Coumaroylglucose; ?-D-form, 3-O-Sulfate C15H18O11S 406.056982 NA MeJP NA NA +MJ056132 1-O-p-Coumaroylglucose; ?-D-form, 6-O-Sulfate C15H18O11S 406.056982 NA MeJP NA NA +MJ056133 Eucleolatin C22H14O8 406.068867 NA MeJP NA NA +MJ056134 Pterygospermine C22H18N2O2S2 406.080969 NA MeJP NA NA +MJ056135 7-Chloro-3,4',5,6,8-pentahydroxyflavone; Penta-Me ether C20H19ClO7 406.08193 NA MeJP NA NA +MJ056136 Hypoprotocetraric acid; 2-Chloro, 3-Me ether, Me ester C20H19ClO7 406.08193 NA MeJP NA NA +MJ056137 Nephroarctin; 4'-Chloro C20H19ClO7 406.08193 NA MeJP NA NA +MJ056138 Psorospermindiol; 5'-Chloro, O5-Me C20H19ClO7 406.08193 NA MeJP NA NA +FL5FGGNS0002 5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone C19H18O10 406.08999 78516-78-6 knapsack NA NA +FL5FGGNS0003 5,7,3',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone C19H18O10 406.08999 102673-82-5 knapsack NA NA +FL5FGGNS0004 5,6,3',5'-Tetrahydroxy-3,7,8,4'-tetramethoxyflavone C19H18O10 406.08999 102673-78-9 knapsack NA NA +FL5FGLNS0005 5,7,4',5'-Tetrahydroxy-3,6,8,2'-tetramethoxyflavone C19H18O10 406.08999 113744-06-2 knapsack NA NA +FL5FGLNS0006 5,7,2',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone C19H18O10 406.08999 99816-57-6 knapsack NA NA +FL5FGLNS0007 5,7,2',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone C19H18O10 406.08999 96887-21-7 knapsack NA NA +MJ056139 1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 2-O-?-D-xylopyranoside C19H18O10 406.089996 NA MeJP NA NA +MJ056140 1,3,6,7-Tetrahydroxyxanthone; 1-O-(6-Deoxy-?-D-glucopyranoside) C19H18O10 406.089996 NA MeJP NA NA +MJ056141 1,3,7-Trihydroxyxanthone; 3-O-?-D-Glucopyranoside C19H18O10 406.089996 NA MeJP NA NA +MJ056142 1,5,6-Trihydroxyxanthone; 6-O-?-D-Glucopyranoside C19H18O10 406.089996 NA MeJP NA NA +MJ056143 1-Glucosyl-3,6,8-trihydroxyxanthone C19H18O10 406.089996 NA MeJP NA NA +MJ056144 2',3,4',5,5',6,7,8-Octahydroxyflavone; 2',3,6,8-Tetra-Me ether C19H18O10 406.089996 NA MeJP NA NA +MJ056145 2',3,4',5,5',6,7,8-Octahydroxyflavone; 3,4',6,8-Tetra-Me ether C19H18O10 406.089996 NA MeJP NA NA +MJ056146 2',3,4',5,5',6,7,8-Octahydroxyflavone; 3,5',6,8-Tetra-Me ether C19H18O10 406.089996 NA MeJP NA NA +MJ056147 2-Glucosyl-1,3,7-trihydroxyxanthone C19H18O10 406.089996 NA MeJP NA NA +MJ056148 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',6,8-Tetra-Me ether C19H18O10 406.089996 NA MeJP NA NA +MJ056149 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',7,8-Tetra-Me ether C19H18O10 406.089996 NA MeJP NA NA +MJ056150 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,5',6,8-Tetra-Me ether C19H18O10 406.089996 NA MeJP NA NA +MJ056151 Hypothamnolic acid C19H18O10 406.089996 NA MeJP NA NA +MJ056152 Lancerin C19H18O10 406.089996 NA MeJP NA NA +MJ056153 Prunastric acid C19H18O10 406.089996 NA MeJP NA NA +C10075 Lancerin C19H18O10 406.09 NA KEGG NA NA +MJ056154 Melithiazoles; Melithiazole B, O5-De-Me C19H22N2O4S2 406.102098 NA MeJP NA NA +FL3FA9NC0002 Hoslundin C23H18O7 406.10525 135404-51-2 knapsack NA NA +FLIFWYNF0001 Rotenonone C23H18O7 406.10525 4436-62-7 knapsack NA NA +MJ056155 4',5,7-Trihydroxy-8-(4-hydroxybenzyl)flavone; 3'-Hydroxy, 4'-Me ether C23H18O7 406.105252 NA MeJP NA NA +MJ056156 Antibiotic SS 43405D C23H18O7 406.105252 NA MeJP NA NA +MJ056157 Daphnodorin L C23H18O7 406.105252 NA MeJP NA NA +MJ056158 Dehydrorotenone, 12-Oxo C23H18O7 406.105252 NA MeJP NA NA +MJ056159 Hoslundin C23H18O7 406.105252 NA MeJP NA NA +MJ056160 Melatinone C23H18O7 406.105252 NA MeJP NA NA +MJ056161 Toddacoumaquinone C23H18O7 406.105252 NA MeJP NA NA +C10525 Rotenonone C23H18O7 406.1053 NA KEGG NA NA +MJ056162 Strictoloside C16H22O12 406.111126 NA MeJP NA NA +MJ056163 1,2,3,4,7,8-Hexahydro-6-(4-hydroxyphenyl)-8-(2,3,4,5-tetrahydroxypentyl)-2,4,7-pteridinetrione; D-ribo-form C17H18N4O8 406.112463 NA MeJP NA NA +C13836 CGS 7181 C20H17F3N2O4 406.114 NA KEGG NA NA +MJ056164 Floctafenine C20H17F3N2O4 406.114041 NA MeJP NA NA +MJ056165 Puupehenone; 21-Bromo C21H27BrO3 406.114357 NA MeJP NA NA +C14647 Braxoron C21H27BrO3 406.1144 NA KEGG NA NA +C11561 2-(4-Chloro-3,5-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)- C22H19ClN4O2 406.1197 NA KEGG NA NA +MJ056166 Penamecillin C19H22N2O6S 406.119857 NA MeJP NA NA +FL631CGS0001 Anadanthoside;Fisetinidol 3-beta-D-xylopyranoside C20H22O9 406.12638 239125-76-9 knapsack NA NA +FL63AAGS0001 Arthromerin A C20H22O9 406.12638 143458-89-3 knapsack NA NA +FL63AAGS0007 Afzelechin 7-O-beta-D-apiofuranoside C20H22O9 406.12638 114590-44-2 knapsack NA NA +FL6FACGS0001 Viscutin 3 C20H22O9 406.12638 108403-45-8 knapsack NA NA +MJ056167 1,2-Bis(3,4-dihydroxyphenyl)ethylene, 3-O-?-D-Glucopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056168 1-(2,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3'-O-?-D-Glucopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056169 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3''-O-?-D-Glucopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056170 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 4'-O-?-D-Glucopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056171 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3''-O-?-D-Glucopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056172 1-(4-Hydroxyphenyl)-2-(2,3,5-trihydroxyphenyl)ethylene; 2-O-?-D-Glucopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056173 1-(4-Hydroxyphenyl)-2-(2,4,6-trihydroxyphenyl)ethylene, 2-O-?-D-Glucopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056174 10-Hydroxyloganic acid; Aglycone, 10-O-(3,4-dihydroxycinnamoyl)(E-), Me ester C20H22O9 406.126382 NA MeJP NA NA +MJ056175 2,5-Dihydroxybenzoic acid; Benzyl ester, 2-O-?-D-glucopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056176 2,5-Dihydroxybenzyl alcohol; 1'-O-Benzoyl, 2-O-?-D-glucopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056177 2,5-Dihydroxybenzyl alcohol; 2-O-(6-O-Benzoyl-?-D-glucopyranoside) C20H22O9 406.126382 NA MeJP NA NA +MJ056178 2,5-Dihydroxybenzyl alcohol; 5-O-(6-O-Benzoyl-?-D-glucopyranoside) C20H22O9 406.126382 NA MeJP NA NA +MJ056179 3',4',5,7-Tetrahydroxyflavan, 5-O-?-Xylopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056180 3,3',4',7-Tetrahydroxyflavan, 3-O-?-D-Xylopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056181 3,4',5,7-Tetrahydroxyflavan, 3-O-?-D-Xylopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056182 3,4',5,7-Tetrahydroxyflavan, 3-O-?-D-Xylopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056183 3,4',5,7-Tetrahydroxyflavan, 7-O-?-D-Apiofuranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056184 3,4-Dihydroxybenzyl alcohol; 4-O-(6-O-Benzoyl-?-D-allopyranoside) C20H22O9 406.126382 NA MeJP NA NA +MJ056185 3,4-Dihydroxybenzyl alcohol; 4-O-(6-O-Benzoyl-?-D-glucopyranoside) C20H22O9 406.126382 NA MeJP NA NA +MJ056186 7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one; 2'-Ketone, 7-O-?-D-glucopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056187 Apiumetin, O-?-D-Glucopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056188 Dihydroxythujaplicatin C20H22O9 406.126382 NA MeJP NA NA +MJ056189 Eleutherol, 4-Me ether, 5-O-de-Me, 5-O-?-D-glucopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056190 Eleutherol, 4-O-?-D-Glucopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056191 Flacourtin C20H22O9 406.126382 NA MeJP NA NA +MJ056192 Olivin C20H22O9 406.126382 NA MeJP NA NA +MJ056193 Oroselol; O-?-D-Glucopyranoside C20H22O9 406.126382 NA MeJP NA NA +MJ056194 Saudinolide; 2,3-Dihydro, 2?-hydroxy C20H22O9 406.126382 NA MeJP NA NA +MJ056195 Symplocarposide C20H22O9 406.126382 NA MeJP NA NA +C10245 Astringin C20H22O9 406.1264 NA KEGG NA NA +C10835 Trichocarpin C20H22O9 406.1264 NA KEGG NA NA +PJ000978 GCNN C13H22N6O7S 406.1271 NA PeJP NA NA +PJ000979 GSDE C14H22N4O10 406.1336 NA PeJP NA NA +PJ000980 GPCM C15H26N4O5S2 406.1345 NA PeJP NA NA +MJ056196 Candidusin A; 1-Demethoxy, 2-hydroxy, 8-O-(3-methyl-2-butenyl) C24H22O6 406.141638 NA MeJP NA NA +MJ056197 Lemuninol B C24H22O6 406.141638 NA MeJP NA NA +MJ056198 Oxymitrone; 9a-Me ether C24H22O6 406.141638 NA MeJP NA NA +MJ056199 Rubiginone A1; 1-Ketone, 4-O-(2-methylpropanoyl) C24H22O6 406.141638 NA MeJP NA NA +C09784 Ipolamiide C17H26O11 406.1475 NA KEGG NA NA +C11659 10-Hydroxyloganin C17H26O11 406.1475 NA KEGG NA NA +C17000 Morroniside C17H26O11 406.1475 NA KEGG NA NA +MJ056200 5-Hydroxysecologanol C17H26O11 406.147511 NA MeJP NA NA +MJ056201 6-Hydroxyloganin; 5,6,8-Triepimer C17H26O11 406.147511 NA MeJP NA NA +MJ056202 6-Hydroxyloganin; 7-Epimer C17H26O11 406.147511 NA MeJP NA NA +MJ056203 Adoxosidic acid; 5-Epimer, 6?-hydroxy, Me ester C17H26O11 406.147511 NA MeJP NA NA +MJ056204 Adoxosidic acid; 6?-Hydroxy, Me ester C17H26O11 406.147511 NA MeJP NA NA +MJ056205 Caryoptosidic acid; Me ester C17H26O11 406.147511 NA MeJP NA NA +MJ056206 Harpagide; 6-Epimer, 8-Ac C17H26O11 406.147511 NA MeJP NA NA +MJ056207 Harpagide; 8-Ac C17H26O11 406.147511 NA MeJP NA NA +MJ056208 Hastatoside; 8-Epimer, 6?-alcohol C17H26O11 406.147511 NA MeJP NA NA +MJ056209 Ipolamiide C17H26O11 406.147511 NA MeJP NA NA +MJ056210 Morofficinaloside C17H26O11 406.147511 NA MeJP NA NA +MJ056211 Morroniside C17H26O11 406.147511 NA MeJP NA NA +MJ056212 Physoside; 8-Ac C17H26O11 406.147511 NA MeJP NA NA +MJ056213 Shanzhiside; Me ester C17H26O11 406.147511 NA MeJP NA NA +MJ056214 Splendoside C17H26O11 406.147511 NA MeJP NA NA +MJ056215 Syringoylglycerol, 2-O-?-D-Glucopyranoside C17H26O11 406.147511 NA MeJP NA NA +MJ056216 Syringoylglycerol, 3-O-?-D-Glucopyranoside C17H26O11 406.147511 NA MeJP NA NA +MJ056217 Syringoylglycerol, 2-O-?-D-Glucopyranoside C17H26O11 406.147511 NA MeJP NA NA +PJ000981 SDW C18H22N4O7 406.1489 NA PeJP NA NA +PJ000982 QEM C15H26N4O7S 406.1522 NA PeJP NA NA +MJ056218 Osaterone; Ac C22H27ClO5 406.154701 NA MeJP NA NA +MJ056219 Alacepril C20H26N2O5S 406.156242 NA MeJP NA NA +7919 synthetic peptide NHH 406.1589 antioxidative Inhouse_peptide NA peptide +MJ056220 1,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 3-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056221 1,10-Epoxy-4,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056222 1,10-Epoxy-8,14,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 14-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056223 1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056224 1,3,9-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, Tri-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056225 1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056226 1,4-Epoxy-8,10,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056227 1-(3,5-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane; 3-Me ether, 5-O-?-D-glucopyranoside C21H26O8 406.162767 NA MeJP NA NA +MJ056228 1-(3-Methoxy-4,5-methylenedioxyphenyl)-1,2-propanediol, 1-Angeloyl, 2-O-(2,3-epoxy-2-methylbutanoyl) C21H26O8 406.162767 NA MeJP NA NA +MJ056229 2,4,8,13-Tetrahydroxy-1(10),5,7(11)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 2-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056230 2,5-Bis(3,4,5-trimethoxyphenyl)-1,3-dioxolane C21H26O8 406.162767 NA MeJP NA NA +MJ056231 2,6,10,13-Tetrahydroxy-3,7(11),8-germacratrien-12,8-olide, 6-(2-Methylpropenoyl), 2-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056232 2,8,13-Trihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, Tri-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056233 3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 1-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056234 3,11,12,14-Tetrahydroxy-8,11,13-abietatriene-6,7-dione, 16-Hydroxy, 3-formyl C21H26O8 406.162767 NA MeJP NA NA +MJ056235 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2R,3R-Epoxy-2-methylbutanoyl), Me ester C21H26O8 406.162767 NA MeJP NA NA +MJ056236 4,5-Epoxy-8,13-dihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056237 4,5-Epoxy-8,13-dihydroxy-14-oxo-1(10),7(11)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 13-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056238 4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-Angeloyl, Me ester C21H26O8 406.162767 NA MeJP NA NA +MJ056239 4,8,13-Trihydroxy-1-oxo-5,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056240 5,10-Epoxy-8-hydroxy-3,11(13)-germacradien-12,6-olid-15-oic acid, Me ester, 8-O-(2,3-epoxy-2-methylbutanoyl)(R,R-) C21H26O8 406.162767 NA MeJP NA NA +MJ056241 5,10-Epoxy-8-hydroxy-3,11(13)-germacradien-12,6-olid-15-oic acid, Me ester, 8-O-(2,3-epoxy-2-methylbutanoyl)(S,S-) C21H26O8 406.162767 NA MeJP NA NA +MJ056242 5,10-Epoxy-8-hydroxy-3,11(13)-germacradien-12,6-olid-15-oic acid, Me ester, 8-O-(2-hydroxy-2-methyl-3-butenoyl) C21H26O8 406.162767 NA MeJP NA NA +MJ056243 6-Methoxy-1',2'-epoxycasegravol; 4'-O-(3-Methylbutanoyl) C21H26O8 406.162767 NA MeJP NA NA +MJ056244 8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 9-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056245 8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 9-(2-Methylpropenoyl), 8-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056246 8,9,13-Trihydroxy-1-oxo-4,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056247 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl), 9-Ac C21H26O8 406.162767 NA MeJP NA NA +MJ056248 Havellockic acid; Me ester C21H26O8 406.162767 NA MeJP NA NA +MJ056249 Icariol A1 C21H26O8 406.162767 NA MeJP NA NA +MJ056250 Lanugone R; 15,16-Dihydro, 15?-hydroxy C21H26O8 406.162767 NA MeJP NA NA +MJ056251 Vilmorinine C; Me ester C21H26O8 406.162767 NA MeJP NA NA +MJ056252 Zempoalin D C21H26O8 406.162767 NA MeJP NA NA +PJ000983 CER C14H26N6O6S 406.1635 NA PeJP NA NA +MJ056253 Thaxtomin A; 3,3''-Dideoxy C22H22N4O4 406.164105 NA MeJP NA NA +PJ000984 AMW C19H26N4O4S 406.1675 NA PeJP NA NA +MJ056254 Murrastifoline B C27H22N2O2 406.168127 NA MeJP NA NA +PJ000985 GTTE C15H26N4O9 406.17 NA PeJP NA NA +PJ000986 NHH C16H22N8O5 406.1713 NA PeJP NA NA +3200 chymotrypsin inhibitor PGAY 406.173 celiac toxic Inhouse_peptide NA peptide +8087 peptide derived from tuna cooking juice PAGY 406.173 ACE inhibitor Inhouse_peptide NA peptide +C06448 Myxochlin A C20H26N2O7 406.174 NA KEGG NA NA +MJ056255 Amicoumacin C C20H26N2O7 406.174001 NA MeJP NA NA +C09275 Mammeisin C25H26O5 406.178 NA KEGG NA NA +FL1C18NP0001 Flemiwallichin D C25H26O5 406.17802 96657-91-9 knapsack NA NA +FL1C1AND0002 Paratocarpin F C25H26O5 406.17802 170662-20-1 knapsack NA NA +FL1C1ANP0009 3,2',4'-Trihydroxy-6'',6''-dimethyl-3'-prenylpyrano[2'',3'':4,5]chalcone C25H26O5 406.17802 151135-83-0 knapsack NA NA +FL1C1ANP0011 Angusticornin A;3,4-(2,2-Dimethylpyrano)-3'-(2-hydroxy-3-methylbut-3-enyl)-2',4'-dihydroxychalcone C25H26O5 406.17802 851771-47-6 knapsack NA NA +FL1C1LNP0001 2,4,2'-Trihydroxy-6'',6''-dimethyl-3'-prenylpyrano[2'',3'':4',5']chalcone C25H26O5 406.17802 50773-29-0 knapsack NA NA +FL1C28NP0001 Flemingin A C25H26O5 406.17802 18296-58-7 knapsack NA NA +FL1C29NP0002 Flemiwallichin F C25H26O5 406.17802 96657-93-1 knapsack NA NA +FL1C2ANP0001 Flemingin D C25H26O5 406.17802 50886-60-7 knapsack NA NA +FL1CAANP0001 Sericone C25H26O5 406.17802 71385-96-1 knapsack NA NA +FL1CAANP0005 Xanthohumol E;3'-Prenyl-6'',6''-dimethylpyrano[2'',3'':6',5']-4,2',4'-trihydroxychalcone C25H26O5 406.17802 274675-26-2 knapsack NA NA +FL1CHYNP0004 Glyinflanin C C25H26O5 406.17802 142750-24-1 knapsack NA NA +FL1CHYNP0009 Glycyrdione B C25H26O5 406.17802 142542-84-5 knapsack NA NA +FL2FA8NP0001 Minimiflorin C25H26O5 406.17802 98621-33-1 knapsack NA NA +FL2FAANP0001 Cajaflavanone C25H26O5 406.17802 68236-12-4 knapsack NA NA +FL2FAANP0002 Lupinifolin C25H26O5 406.17802 55890-27-2 knapsack NA NA +FL2FAANP0005 Euchrenone a2 C25H26O5 406.17802 116310-62-4 knapsack NA NA +FL2FAANP0010 Paratocarpin H;5,7-Dihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone C25H26O5 406.17802 170662-22-3 knapsack NA NA +FL2FAANP0011 Paratocarpin I;5,4'-Dihydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone C25H26O5 406.17802 170662-23-4 knapsack NA NA +FL2FAANP0012 Cycloaltilisin 7;5,4'-Dihydroxy-6''-methyl,6''-(4-methylpent-3-enyl)-pyrano[2'',3'':7,8]flavanone C25H26O5 406.17802 432041-07-1 knapsack NA NA +FL3F1LNI0001 Rubraflavone A C25H26O5 406.17802 54510-13-3 knapsack NA NA +FL3FAANI0001 Gancaonin Q C25H26O5 406.17802 134958-52-4 knapsack NA NA +FL3FAANI0002 Honyucitrin C25H26O5 406.17802 114542-44-8 knapsack NA NA +FL3FAANI0003 Kuwanone S;Kuwanon S; 2-[3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one;2-[3-[(2E)-3,7-Dimethyl-2,6-octadienyl]-4-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one C25H26O5 406.17802 100187-67-5 knapsack NA NA +FL4D1ANP0001 Kanzonol Z;3,4'-Dihydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone C25H26O5 406.17802 220860-37-7 knapsack NA NA +FL4DA9NP0001 Mundulinol C25H26O5 406.17802 71385-95-0 knapsack NA NA +FLIAAANI0003 Lupalbigenin;5,7,4'-Trihydroxy-6,3'-diprenylisoflavone C25H26O5 406.17802 76754-24-0 knapsack NA NA +FLIAAANI0004 6,8-Diprenylgenistein C25H26O5 406.17802 51225-28-6 knapsack NA NA +FLIAAANI0007 3',5'-Diprenylgenistein;5,7,4'-Trihydroxy-3',5'-diprenylisoflavone C25H26O5 406.17802 104055-80-3 knapsack NA NA +FLNAA9NI0001 Mammeisin;Mammea A/AA;5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methylbutyryl)-4-phenylcoumarin C25H26O5 406.17802 18483-64-2 knapsack NA NA +FLNAA9NI0003 5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methylbutyryl)-4-phenylcoumarin C25H26O5 406.17802 30390-12-6 knapsack NA NA +FLNAA9NI0005 5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutyryl)-4-phenylcoumarin;Mammea A/BA C25H26O5 406.17802 5224-54-4 knapsack NA NA +FLNAA9NI0006 5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(2-methylbutyryl)-4-phenylcoumarin;Mammea A/BB C25H26O5 406.17802 6916-62-7 knapsack NA NA +MJ056256 1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(2,7-Dimethyl-2,6-octadienyl) C25H26O5 406.178023 NA MeJP NA NA +MJ056257 1-[2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-2-propen-1-one C25H26O5 406.178023 NA MeJP NA NA +MJ056258 2,3-Dihydro-7-hydroxy-2-(7-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-8-(3-methyl-7-butenyl)-4H-1-benzopyran-4-one C25H26O5 406.178023 NA MeJP NA NA +MJ056259 2-(2,4-Dihydroxyphenyl)-8,8-dimethyl-10-(3-methyl-2-butenyl)-8H-pyrano[2,3-d]chroman-4-one C25H26O5 406.178023 NA MeJP NA NA +MJ056260 2-Geranyl-1,3,8-trihydroxy-6-methylanthraquinone C25H26O5 406.178023 NA MeJP NA NA +MJ056261 3',4',7-Trihydroxyisoflavone; 7-O-(3,7-Dimethyl-2,6-octadienyl)(E-) C25H26O5 406.178023 NA MeJP NA NA +MJ056262 3-(2,4-Dihydroxyphenyl)-1-[7-hydroxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-2-propen-1-one C25H26O5 406.178023 NA MeJP NA NA +MJ056263 4',5,7-Trihydroxy-3',5'-diprenylflavone C25H26O5 406.178023 NA MeJP NA NA +MJ056264 4',5,7-Trihydroxy-3',5'-diprenylisoflavone C25H26O5 406.178023 NA MeJP NA NA +MJ056265 4',5,7-Trihydroxy-3',6-diprenylflavone C25H26O5 406.178023 NA MeJP NA NA +MJ056266 4',5,7-Trihydroxy-3',6-diprenylisoflavone C25H26O5 406.178023 NA MeJP NA NA +MJ056267 4',5,7-Trihydroxy-3',8-diprenylisoflavone C25H26O5 406.178023 NA MeJP NA NA +MJ056268 4',5,7-Trihydroxy-6,8-diprenylisoflavone C25H26O5 406.178023 NA MeJP NA NA +MJ056269 8-(2,4-Dihydroxyphenyl)-7,8-dihydro-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one C25H26O5 406.178023 NA MeJP NA NA +MJ056270 8-(3,7-Dimethyl-2,6-octadienyl)-4',5,7-trihydroxyisoflavone C25H26O5 406.178023 NA MeJP NA NA +MJ056271 Albanin D C25H26O5 406.178023 NA MeJP NA NA +MJ056272 Bidwillon B C25H26O5 406.178023 NA MeJP NA NA +MJ056273 Cajaflavanone C25H26O5 406.178023 NA MeJP NA NA +MJ056274 Coleophomone A C25H26O5 406.178023 NA MeJP NA NA +MJ056275 Coleophomone B C25H26O5 406.178023 NA MeJP NA NA +MJ056276 Cudraflavanone A, 2'-Deoxy C25H26O5 406.178023 NA MeJP NA NA +MJ056277 Cycloisoemericellin C25H26O5 406.178023 NA MeJP NA NA +MJ056278 Epiisohamixanthone C25H26O5 406.178023 NA MeJP NA NA +MJ056279 Euchrenone a2 C25H26O5 406.178023 NA MeJP NA NA +MJ056280 Flemingin A C25H26O5 406.178023 NA MeJP NA NA +MJ056281 Flemingin D C25H26O5 406.178023 NA MeJP NA NA +MJ056282 Flemiwallichin D C25H26O5 406.178023 NA MeJP NA NA +MJ056283 Flemiwallichin F C25H26O5 406.178023 NA MeJP NA NA +MJ056284 Folitenol; 6a-Hydroxy C25H26O5 406.178023 NA MeJP NA NA +MJ056285 Gangetinin; 1,2-Dihydro, O-de-Me C25H26O5 406.178023 NA MeJP NA NA +MJ056286 Glycinflanin C C25H26O5 406.178023 NA MeJP NA NA +MJ056287 Glyinflanin C C25H26O5 406.178023 NA MeJP NA NA +MJ056288 Isoosajin; 7,8-Dihydro C25H26O5 406.178023 NA MeJP NA NA +MJ056289 Kanzonol Z C25H26O5 406.178023 NA MeJP NA NA +MJ056290 Kuwanon S C25H26O5 406.178023 NA MeJP NA NA +MJ056291 Lespedezol A2 C25H26O5 406.178023 NA MeJP NA NA +MJ056292 Licocoumarin A C25H26O5 406.178023 NA MeJP NA NA +MJ056293 Lupinifolin C25H26O5 406.178023 NA MeJP NA NA +MJ056294 Mammea A/AB C25H26O5 406.178023 NA MeJP NA NA +MJ056295 Mammea A/BA C25H26O5 406.178023 NA MeJP NA NA +MJ056296 Mammea A/BB C25H26O5 406.178023 NA MeJP NA NA +MJ056297 Mammeisin C25H26O5 406.178023 NA MeJP NA NA +MJ056298 Minimiflorin C25H26O5 406.178023 NA MeJP NA NA +MJ056299 Orientanol F C25H26O5 406.178023 NA MeJP NA NA +MJ056300 Paratocarpin F C25H26O5 406.178023 NA MeJP NA NA +MJ056301 Paratocarpin I C25H26O5 406.178023 NA MeJP NA NA +MJ056302 Rubraflavone A C25H26O5 406.178023 NA MeJP NA NA +MJ056303 Sericone C25H26O5 406.178023 NA MeJP NA NA +MJ056304 Shamixanthone C25H26O5 406.178023 NA MeJP NA NA +MJ056305 Sigmoidin E C25H26O5 406.178023 NA MeJP NA NA +MJ056306 Terphenyllin; 3''-Hydroxy, 4-deoxy, 4''-O-(3-methyl-2-butenyl) C25H26O5 406.178023 NA MeJP NA NA +MJ056307 Xanthohumol E C25H26O5 406.178023 NA MeJP NA NA +MetaCyc03409 xanthohumol E [] C25H26O5 406.178024 NA metacyc NA NA +3214 Casoxin from bovine kappa-casein fr: 35-41 YPSYGLN 406.17895 MH2+ Inhouse_peptide NA peptide +MJ056308 4-(3-Chlorophenyl)-?-(diphenylmethyl)-1-piperazineethanol C25H27ClN2O 406.181191 NA MeJP NA NA +PJ000987 TTW C19H26N4O6 406.1852 NA PeJP NA NA +PJ000988 GAPY C19H26N4O6 406.1853 NA PeJP NA NA +PJ000989 KEM C16H30N4O6S 406.1886 NA PeJP NA NA +MJ056309 Arenine, Me ether C24H26N2O4 406.189257 NA MeJP NA NA +MJ056310 Carvedilol C24H26N2O4 406.189257 NA MeJP NA NA +MJ056311 Nicocodine; 7,8-Dihydro C24H26N2O4 406.189257 NA MeJP NA NA +C06875 Carvedilol C24H26N2O4 406.1893 NA KEGG NA NA +MJ056312 Ascochlorin; 4',5'-Dihydro C23H31ClO4 406.191087 NA MeJP NA NA +MJ056313 Grifolic acid; 5-Chloro C23H31ClO4 406.191087 NA MeJP NA NA +C14648 6alpha-Chloro-17-acetoxyprogesterone C23H31ClO4 406.1911 NA KEGG NA NA +PJ000990 GPPH C18H26N6O5 406.1965 NA PeJP NA NA +EUR636 Cortisone FA adduct [M+FA-H]- 406.1985 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR636 Cortisone FA adduct [M+FA-H]- 406.1985 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR636 Cortisone FA adduct [M+FA-H]- 406.1985 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR636 Cortisone FA adduct [M+FA-H]- 406.1985 identifies dans standard mixture NuGO Inhousejuil11 NA NA +EUR636 Cortisone FA adduct [M+FA-H]- 406.198525 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +EUR636 Cortisone FA adduct [M+FA-H]- 406.198525 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR636 Cortisone FA adduct [M+FA-H]- 406.198525 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR636 Cortisone FA adduct [M+FA-H]- 406.198525 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR636 Cortisone FA adduct [M+FA-H]- 406.198525 identifiés dans standard mixture NuGO HMDB NA NA +EUR636 Cortisone FA adduct [M+FA-H]- 406.198525 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +EUR636 Cortisone FA adduct [M+FA-H]- 406.198525 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR636 Cortisone FA adduct [M+FA-H]- 406.198525 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +MJ056314 1,2,3-Trihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-(2-Methylbutanoyl), 1-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056315 1,3,11-Trihydroxy-4-eudesmen-12,6-olide, 11-Angeloyl, 1-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056316 1,3,7,14-Tetrahydroxy-16-kaurene-12,15-dione, 3-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056317 1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol C22H30O7 406.199153 NA MeJP NA NA +MJ056318 10,11,12,14,18-Pentahydroxy-20-nor-8,11,13-abietatrien-7-one; 12-Me ether, 18-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056319 2,15-Dihydroxy-3,13-clerodadien-16,15-olid-17-oic acid, 2-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056320 2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 6-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056321 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Tigloyl, 2-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056322 2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Angeloyl, 6-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056323 2-Hydroxy-15-oxo-3,13-clerodadiene-16,17-dioic acid, Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056324 3,4,8-Trihydroxy-7(11)-eudesmen-12,8-olide, 3-Angeloyl, 4-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056325 3,4-Epoxy-2,8-dihydroxy-10-guaien-12,6-olide, 2-(2-Methylbutanoyl), 8-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056326 3,5,7-Trihydroxy-p-menth-1-en-6-one, 3,7-Ditigloyl, 5-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056327 3,8,10-Trihydroxy-4-guaien-12,6-olide, 8-Angeloyl, 10-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056328 3-(3,6-Dihydro-3-hydroxy-6-oxo-2H-pyran-2-yl)-2-propenoic acid, 3-O-(11?-Hydroxy-4,6?-dimethyl-2E,4E-dodecadienoyl) C22H30O7 406.199153 NA MeJP NA NA +MJ056329 4,18:15,16-Diepoxy-1,8,19-trihydroxy-13(16),14-clerodadien-6-one, 19-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056330 4,6,8,9-Tetrahydroxy-7-daucanone, 6-(4-Hydroxybenzoyl) C22H30O7 406.199153 NA MeJP NA NA +MJ056331 6,7,12,16-Tetrahydroxy-8,12-abietadiene-11,14-dione, 16-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056332 6,7,12,16-Tetrahydroxy-8,12-abietadiene-11,14-dione, 7-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056333 7,15-Dihydroxy-3,13-clerodadien-15,16-olid-18-oic acid, 7-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056334 7,20-Epoxy-1,6,7,14-tetrahydroxy-16-kauren-15-one, 1-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056335 7,20-Epoxy-1,6,7,19-tetrahydroxy-16-kauren-15-one, 19-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056336 7,20-Epoxy-16-kaurene-3,6,7,15,19-pentol, 15-Ketone, 19-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056337 7,20-Epoxy-6,7,11,19-tetrahydroxy-16-kauren-15-one, 19-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056338 7,20-Epoxy-6,7,12,19-tetrahydroxy-16-kauren-15-one, 19-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056339 7,20-Epoxy-6,7,14,19-tetrahydroxy-16-kauren-15-one, 19-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056340 7-Nor-p-mentha-1,3,5-triene-1,2,6,9,10-pentol; 1,2,6-Tri-Me ether, 9,10-diangeloyl C22H30O7 406.199153 NA MeJP NA NA +MJ056341 7-Nor-p-mentha-1,3,5-triene-1,2,6,9,10-pentol; 1,2,6-Tri-Me ether, 9,10-ditigloyl C22H30O7 406.199153 NA MeJP NA NA +MJ056342 8,10,11-Trihydroxy-3-guaien-12,6-olide, 8-(3-Methyl-2-butenoyl), 11-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056343 8,10,11-Trihydroxy-3-guaien-12,6-olide, 8-Angeloyl, 11-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056344 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(2-Methylbutanoyl), 15-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056345 8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(2-Methylbutanoyl), 9-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056346 8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl), 14-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056347 8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl), 9-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056348 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-(3-Acetoxy-2-hydroxy-2-methylbutanoyl) C22H30O7 406.199153 NA MeJP NA NA +MJ056349 9,12-Epoxy-20-hydroxy-16,15:19,6-labdanediolide, Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056350 9,13-Epidioxy-11-hydroxy-15-nor-14-oxo-11-isocopalen-16-oic acid; Ac, Me ester C22H30O7 406.199153 NA MeJP NA NA +MJ056351 Chaparrolide; 1-Ketone, 12-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056352 Coleon R; O6,O12-Bis-de-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056353 Fukinolidiol; 1-(3-Hydroxy-2-methylenebutanoyl), 9-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056354 Isodonal; 15?-Alcohol C22H30O7 406.199153 NA MeJP NA NA +MJ056355 Isodonal; 6-Alcohol C22H30O7 406.199153 NA MeJP NA NA +MJ056356 Jamesoniellide B C22H30O7 406.199153 NA MeJP NA NA +MJ056357 Jaspiferoic acid A C22H30O7 406.199153 NA MeJP NA NA +MJ056358 Lanugone N C22H30O7 406.199153 NA MeJP NA NA +MJ056359 Nepetaefolinol; Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056360 Nigakilactone K C22H30O7 406.199153 NA MeJP NA NA +MJ056361 Nigakilactone M; 11,12-Methylene ether C22H30O7 406.199153 NA MeJP NA NA +MJ056362 Nigakilactone N; 11,12-Methylene ether C22H30O7 406.199153 NA MeJP NA NA +MJ056363 Nodosin; 11-Epimer, 15?-alcohol, 6-Ac C22H30O7 406.199153 NA MeJP NA NA +MJ056364 Rabdokaurin D C22H30O7 406.199153 NA MeJP NA NA +MJ056365 Rabdosichuanin A C22H30O7 406.199153 NA MeJP NA NA +MJ056366 Rastronol G C22H30O7 406.199153 NA MeJP NA NA +C09486 Isomontanolide C22H30O7 406.1992 NA KEGG NA NA +C17033 Nigakilactone K C22H30O7 406.1992 NA KEGG NA NA +C17034 Nigakilactone L C22H30O7 406.1992 NA KEGG NA NA +C17052 Picrasin E C22H30O7 406.1992 NA KEGG NA NA +PJ000991 TMR C15H30N6O5S 406.1999 NA PeJP NA NA +MJ056367 Argentine C23H26N4O3 406.20049 NA MeJP NA NA +C10753 Argentine C23H26N4O3 406.2005 NA KEGG NA NA +MJ056368 3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 3-Hexadecanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanone, Ca salt C21H34CaO5 406.203215 NA MeJP NA NA +PJ000992 SSTL C16H30N4O8 406.2064 NA PeJP NA NA +3168 dipeptidyl peptidase IV inhibitor PPPP 406.208 celiac toxic Inhouse_peptide NA peptide +MJ056369 Xenocoumacin 2 C21H30N2O6 406.210386 NA MeJP NA NA +MJ056370 Tameridone C22H26N6O2 406.211724 NA MeJP NA NA +MJ056371 Zoamides; !Zoamide D C22H26N6O2 406.211724 NA MeJP NA NA +MJ056372 Lincomycin C18H34N2O6S 406.213757 NA MeJP NA NA +C06812 Lincomycin C18H34N2O6S 406.2138 NA KEGG NA NA +FL1C1ANI0033 Xanthoangelol F;3'-Geranyl-2',4-dihydroxy-4'-methoxychalcone C26H30O4 406.2144 265652-71-9 knapsack NA NA +FL1CA9NR0002 2',6'-Dihydroxy-3'-(1-p-menthen-3-yl)-4'-methoxychalcone C26H30O4 406.2144 119628-53-4 knapsack NA NA +FL1CQUNI0002 Tunicatachalcone C26H30O4 406.2144 329038-96-2 knapsack NA NA +FL1DA9NR0008 Adunctin B C26H30O4 406.2144 151484-74-1 knapsack NA NA +FL1DA9NR0009 Adunctin C C26H30O4 406.2144 151484-75-2 knapsack NA NA +FL1DA9NR0010 Adunctin D C26H30O4 406.2144 151593-45-2 knapsack NA NA +FL1DQUNP0001 Grenoblone C26H30O4 406.2144 104021-41-2 knapsack NA NA +FL2FA9NI0011 5-Methoxy-7-prenyloxy-8-C-prenylflavanone C26H30O4 406.2144 - knapsack NA NA +FLIC1LNP0010 Heminitidulan C26H30O4 406.2144 66446-90-0 knapsack NA NA +FLID1CNI0003 Erycristin;(6aR,11aR)-3-Hydroxy-9-methoxy-2,10-diprenylpterocarpan C26H30O4 406.2144 114416-06-7 knapsack NA NA +MJ056373 2',6'-Dihydroxy-4'-methoxy-3'-(1-p-menthen-3-yl)chalcone C26H30O4 406.214409 NA MeJP NA NA +MJ056374 3'-(3,7-Dimethyl-2,6-octadienyl)-2',4,4'-trihydroxychalcone, 4'-Me ether C26H30O4 406.214409 NA MeJP NA NA +MJ056375 4-(2,4-Dihydroxy-6-methoxybenzoyl)-1-methyl-5-phenyl-6-prenylcyclohexene C26H30O4 406.214409 NA MeJP NA NA +MJ056376 5,7-Dihydroxy-8-prenylflavanone, 5-Me ether, 7-O-(3-methyl-2-butenyl) C26H30O4 406.214409 NA MeJP NA NA +MJ056377 Adunctin B C26H30O4 406.214409 NA MeJP NA NA +MJ056378 Adunctin C C26H30O4 406.214409 NA MeJP NA NA +MJ056379 Antibiotic BE 51068 C26H30O4 406.214409 NA MeJP NA NA +MJ056380 Cordiaquinone C C26H30O4 406.214409 NA MeJP NA NA +MJ056381 Crinatusins; Crinatusin C1 C26H30O4 406.214409 NA MeJP NA NA +MJ056382 Crinatusins; Crinatusin C2 C26H30O4 406.214409 NA MeJP NA NA +MJ056383 Erycristin C26H30O4 406.214409 NA MeJP NA NA +MJ056384 Grenoblone C26H30O4 406.214409 NA MeJP NA NA +MJ056385 Heminitidulan C26H30O4 406.214409 NA MeJP NA NA +MJ056386 Linderatone; O7-Me C26H30O4 406.214409 NA MeJP NA NA +MJ056387 Monachosorin A; 2,12'-Dihydro C26H30O4 406.214409 NA MeJP NA NA +MJ056388 Panduratin A C26H30O4 406.214409 NA MeJP NA NA +MJ056389 Prostratol E C26H30O4 406.214409 NA MeJP NA NA +MJ056390 Tunicatachalcone C26H30O4 406.214409 NA MeJP NA NA +MJ056391 Flugestone; 17-Ac C23H31FO5 406.215552 NA MeJP NA NA +C15432 Flurogestone acetate C23H31FO5 406.2156 NA KEGG NA NA +MJ056392 7-Megastigmene-2,5,6,9-tetrol, 5-O-?-D-Glucopyranoside C19H34O9 406.220282 NA MeJP NA NA +MJ056393 7-Megastigmene-3,5,6,9-tetrol, 3-O-?-D-Glucopyranoside C19H34O9 406.220282 NA MeJP NA NA +MJ056394 7-Megastigmene-3,6,9,10-tetrol, 3-O-?-D-Glucopyranoside C19H34O9 406.220282 NA MeJP NA NA +PJ000993 PKY C20H30N4O5 406.2216 NA PeJP NA NA +MJ056395 Antibiotic TMC 52; Antibiotic TMC 52A, 4'-Deoxy C20H30N4O5 406.22162 NA MeJP NA NA +MJ056396 Antibiotic TMC 52; Antibiotic TMC 52B, 4'-Deoxy C20H30N4O5 406.22162 NA MeJP NA NA +MJ056397 Antibiotic WF 14861A; 4'-Deoxy C20H30N4O5 406.22162 NA MeJP NA NA +MJ056398 Aspergillus oryzae Cysteine protease inhibitors; CPI 5 C20H30N4O5 406.22162 NA MeJP NA NA +MJ056399 Kalihinene; 6?-Hydroxy, 10-formamide, 15-thiocyanate C22H34N2O3S 406.229013 NA MeJP NA NA +MJ056400 1,3,5,14-Tetrahydroxycard-20(22)-enolide C23H34O6 406.235538 NA MeJP NA NA +MJ056401 1,3,7,14-Tetrahydroxycard-20(22)-enolide C23H34O6 406.235538 NA MeJP NA NA +MJ056402 15-Hydroxy-3-cleroden-18,19-olide, 15-O-Malonyl C23H34O6 406.235538 NA MeJP NA NA +MJ056403 16,17,19-Kauranetriol, 17,19-Dicarboxylic acid, 16-Ac, 17-Me ester C23H34O6 406.235538 NA MeJP NA NA +MJ056404 2,7-Dihydroxy-3-oxo-1,4(19)-clerodadien-15-oic acid, 7-Ac, Me ester C23H34O6 406.235538 NA MeJP NA NA +MJ056405 2-Hydroxy-3,13-clerodadiene-15,18-dioic acid, 2-Ac, 18-Me ester C23H34O6 406.235538 NA MeJP NA NA +MJ056406 3,11,12,14-Tetrahydroxypregn-5-en-20-one, 11-Ac C23H34O6 406.235538 NA MeJP NA NA +MJ056407 3,11,14,19-Tetrahydroxycard-20(22)-enolide C23H34O6 406.235538 NA MeJP NA NA +MJ056408 3,12,14,16-Tetrahydroxycard-20(22)-enolide C23H34O6 406.235538 NA MeJP NA NA +MJ056409 3,12,14,19-Tetrahydroxypregn-5-en-20-one, 19-Ac C23H34O6 406.235538 NA MeJP NA NA +MJ056410 3,14,16,19-Tetrahydroxycard-20(22)-enolide C23H34O6 406.235538 NA MeJP NA NA +MJ056411 3,14,17,19-Tetrahydroxycard-20(22)-enolide C23H34O6 406.235538 NA MeJP NA NA +MJ056412 3,15-Epoxy-18-hydroxy-7,11-cembradien-19-al, 18-Malonyl ester C23H34O6 406.235538 NA MeJP NA NA +MJ056413 3,4-Dihydro-6,8-dihydroxy-3-tridecyl-1H-2-benzopyran-1-one, 5'-Oxo, 6'-hydroxy, 6-Me ether C23H34O6 406.235538 NA MeJP NA NA +MJ056414 3,5,11,14-Tetrahydroxycard-20(22)-enolide C23H34O6 406.235538 NA MeJP NA NA +MJ056415 3,5,12,14-Tetrahydroxycard-20(22)-enolide C23H34O6 406.235538 NA MeJP NA NA +MJ056416 3,5,14,19-Tetrahydroxycard-20(22)-enolide C23H34O6 406.235538 NA MeJP NA NA +MJ056417 3,7,11,14-Tetrahydroxycard-20(22)-enolide C23H34O6 406.235538 NA MeJP NA NA +MJ056418 4'-O-Geranylsinapyl alcohol; ?4''-Isomer, 5''-ethoxy, 7''-hydroxy C23H34O6 406.235538 NA MeJP NA NA +MJ056419 4'-O-Geranylsinapyl alcohol; ?5''-Isomer, 5''-ethoxy, 7''-hydroxy C23H34O6 406.235538 NA MeJP NA NA +MJ056420 4'-O-Geranylsinapyl alcohol; ?7''-Isomer, 6''-(1-hydroxyethoxy) C23H34O6 406.235538 NA MeJP NA NA +MJ056421 4,15:6,7-Diepoxy-1,8-dihydroxy-5-hirsutanone, 1-Octanoyl C23H34O6 406.235538 NA MeJP NA NA +MJ056422 6,7-Epoxy-14,17-dihydroxy-1(19),10,12-xenicatrien-18-oic acid, 17-Ac, Me ester C23H34O6 406.235538 NA MeJP NA NA +MJ056423 6-Hydroxy-13-cleroden-15,16-olid-18-oic acid, Me ester, Ac C23H34O6 406.235538 NA MeJP NA NA +MJ056424 7,11,14-Trihydroxy-8,15-isopimaradien-18-oic acid, 7-Ac, Me ester C23H34O6 406.235538 NA MeJP NA NA +MJ056425 7,17-Dihydroxy-15,16-isocopalanedioic acid; 7?-form, 15?17 Lactone, 7-Ac, Me ester C23H34O6 406.235538 NA MeJP NA NA +MJ056426 7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 1,11-Isopropylidene C23H34O6 406.235538 NA MeJP NA NA +MJ056427 9,13-Epidioxy-11-abieten-2-ol, Malonyl ester C23H34O6 406.235538 NA MeJP NA NA +MJ056428 Fukinolidiol; 1,9-Bis(2-methylpropanoyl) C23H34O6 406.235538 NA MeJP NA NA +MJ056429 Monacolin J; O1-(3-Hydroxybutanoyl) C23H34O6 406.235538 NA MeJP NA NA +MJ056430 Sporotricale C23H34O6 406.235538 NA MeJP NA NA +MJ056431 Tenacigenin A; 12-Ac C23H34O6 406.235538 NA MeJP NA NA +MJ056432 Thermopsidine C24H30N4O2 406.236876 NA MeJP NA NA +MJ056433 Pipramadol C23H35ClN2O2 406.238706 NA MeJP NA NA +MJ056434 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Phenylacetyl C27H34O3 406.250794 NA MeJP NA NA +MJ056435 17-Hydroxyestr-4-en-3-one; 17?-form, 3-Phenylpropanoyl C27H34O3 406.250794 NA MeJP NA NA +MJ056436 8,11,13-Abietatriene-3,12-diol, 3-Benzoyl C27H34O3 406.250794 NA MeJP NA NA +MJ056437 8-Hydroxy-3-(12-phenyldodecyl)-1H-2-benzopyran-1-one C27H34O3 406.250794 NA MeJP NA NA +C08155 Nandrolone phenpropionate C27H34O3 406.2508 NA KEGG NA NA +MJ056438 2,3,5,6,10,14,16-Grayanotoxaneheptol, 14-Propanoyl C20H38O8 406.256668 NA MeJP NA NA +PJ000994 LKF C21H34N4O4 406.258 NA PeJP NA NA +MJ056439 Amphibine I C21H34N4O4 406.258005 NA MeJP NA NA +C01292 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate C24H38O5 406.2719 NA KEGG NA NA +C01293 [Pyruvate dehydrogenase (acetyl-transferring)] phosphate C4H7N2O6PR2 406.2719 NA KEGG NA NA +C04643 3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate C24H38O5 406.2719 NA KEGG NA NA +C10298 Ardisianone C24H38O5 406.2719 NA KEGG NA NA +HMDB00391 7-ketodeoxycholic acid C24H38O5 406.27191 http://www.hmdb.ca/metabolites/HMDB00391 HMDB NA NA +HMDB00400 3,7-Dihydroxy-12-oxocholanoic acid C24H38O5 406.27191 http://www.hmdb.ca/metabolites/HMDB00400 HMDB NA NA +HMDB00502 3-Oxocholic acid C24H38O5 406.27191 http://www.hmdb.ca/metabolites/HMDB00502 HMDB NA NA +HMDB00391 7-ketodeoxycholic acid C24H38O5 406.27191 HMDB00391 PFEM_hmdb_metabocards_official NA NA +HMDB00400 3,7-Dihydroxy-12-oxocholanoic acid C24H38O5 406.27191 HMDB00400 PFEM_hmdb_metabocards_official NA NA +HMDB00502 3-Oxocholic acid C24H38O5 406.27191 HMDB00502 PFEM_hmdb_metabocards_official NA NA +HMDB00391 7-Ketodeoxycholic acid C24H38O5 406.271912 NA HMDB2010 NA NA +HMDB00400 3,7-Dihydroxy-12-oxocholanoic acid C24H38O5 406.271912 NA HMDB2010 NA NA +HMDB00502 3-Oxocholic acid C24H38O5 406.271912 NA HMDB2010 NA NA +MJ056440 1,6,10,14-Phytatetraene-3,5-diol, 9-Acetoxy, 5-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056441 10,12-Epoxy-4,10-seco-2,13(15),17-spatatriene-5,10,12-triol, 2,3-Dihydro, 10,12-di-Me ether, 5-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056442 15,16-Spongianediol, Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056443 15-Pimarene-9,17,18-triol; 9?-form, Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056444 15-Pimarene-9,19-diol; ent-form, 19-(Methylmalonoyl) C24H38O5 406.271924 NA MeJP NA NA +MJ056445 16,17,19-Kauranetriol, 17,19-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056446 17,18-Dihydroxy-19-kauranoic acid, 17-(2-Methylpropanoyl) C24H38O5 406.271924 NA MeJP NA NA +MJ056447 2,6-Dolabelladiene-8,10,18-triol, 10,18-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056448 2,6-Dolabelladiene-8,10,18-triol, 8,10-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056449 2,7-Dolabelladiene-10,18-diol, 7?,8?-Epoxide, di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056450 2,7-Dolabelladiene-6,10,18-triol, 6,10-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056451 2,9:3,16-Diepoxy-6-asbestinene-4,11-diol, 11-Butanoyl C24H38O5 406.271924 NA MeJP NA NA +MJ056452 2,9:3,16-Diepoxy-7(19)-asbestinene-6,11-diol, 11-Butanoyl C24H38O5 406.271924 NA MeJP NA NA +MJ056453 2-Hydroxy-6-pentadecyl-1,4-benzoquinone; 2'-Acetoxy, Me ether C24H38O5 406.271924 NA MeJP NA NA +MJ056454 3(11),18-Sphenolobadiene-4,13,17-triol; 13,17-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056455 3,13-Clerodadiene-15,17-diol, 15-Aldehyde C24H38O5 406.271924 NA MeJP NA NA +MJ056456 3,13-Clerodadiene-15,19-diol, 19-Succinoyl C24H38O5 406.271924 NA MeJP NA NA +MJ056457 3,16,17-Kauranetriol, 3,17-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056458 3,4-Epoxy-7-dolabellene-10,18-diol, Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056459 3,7-Dolabelladiene-6,12-diol, 16-Hydroxy, 6,16-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056460 3,7-Dolabelladiene-9,12-diol, 16-Acetoxy, 9-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056461 4(18),13-Clerodadiene-12,15,16-triol, 12,15-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056462 4(18),13-Clerodadiene-12,15,16-triol, 12,16-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056463 4(18),13-Clerodadiene-12,15,16-triol, 15,16-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056464 6,13-Epoxy-3,12-dihydroxy-4(18)-eunicellen-9-one, 12-Butanoyl C24H38O5 406.271924 NA MeJP NA NA +MJ056465 6,13-Epoxy-4(18),8(19)-eunicelladiene-3,9,12-triol, 12-Butanoyl C24H38O5 406.271924 NA MeJP NA NA +MJ056466 6,13-Epoxy-4(18),8(19)-eunicelladiene-7,9,12-triol, 12-Butanoyl C24H38O5 406.271924 NA MeJP NA NA +MJ056467 6,13-Epoxy-8-eunicellene-4,12-diol, Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056468 7,13-Labdadiene-3,11,15-triol, 3,15-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056469 7,8-Epoxy-3,11-cembradiene-10,15-diol; 10,15-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056470 7-Oxo-3-cleroden-15-oic acid; 6?-(2-Methylpropanoyloxy) C24H38O5 406.271924 NA MeJP NA NA +MJ056471 8(17),14-Labdadiene-2,13-diol, 2-O-Succinoyl C24H38O5 406.271924 NA MeJP NA NA +MJ056472 8,10,13(15)-Lobatriene-14,17,18-triol, 14,17-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056473 8,12-Epoxy-13-labdene-15,16-diol, 15,16-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056474 8,12-Eunicelladiene-2,3,4-triol, 2,3-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056475 8,13-Epoxy-14-labden-19-ol, 19-Succinoyl C24H38O5 406.271924 NA MeJP NA NA +MJ056476 8,13-Epoxy-14-labdene-1,18-diol, Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056477 8,13-Epoxy-14-labdene-3,12-diol, Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056478 8,13-Labdadiene-6,7,15-triol, 6,7-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056479 8,13-Labdadiene-6,7,15-triol, 7,15-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056480 8,14-Labdadiene-6,7,13-triol, 6,7-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056481 9,10-Seco-8,13(16),14-labdatriene-10,15,16-triol; 10,15-Di-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056482 9,13-Epoxy-17-hydroxy-7-labden-15-oic acid, 2-Methylpropanoyl C24H38O5 406.271924 NA MeJP NA NA +MJ056483 9,13-Epoxy-18-hydroxy-7-labden-15-oic acid, 18-(Methylpropanoyl) C24H38O5 406.271924 NA MeJP NA NA +MJ056484 Alfaprostol C24H38O5 406.271924 NA MeJP NA NA +MJ056485 Antibiotic CJ 13104 C24H38O5 406.271924 NA MeJP NA NA +MJ056486 Crenulacetal A; 18,19-Diepimer, 4-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056487 Crenulacetal A; 18-Epimer, 4-Ac C24H38O5 406.271924 NA MeJP NA NA +MJ056488 Dihydro-4-hydroxy-5-methyl-3-[14-(5-methyl-2-oxo-3-furanyl)tetradecyl]-2(3H)-furanone; 3',4'-Didehydro C24H38O5 406.271924 NA MeJP NA NA +MJ056489 Helipterol; 5-Succinoyloxy C24H38O5 406.271924 NA MeJP NA NA +MJ056490 Mevinolin; 4,4a-Dihydro C24H38O5 406.271924 NA MeJP NA NA +MJ056491 Peniolactol C24H38O5 406.271924 NA MeJP NA NA +MJ056492 Solenopodin D C24H38O5 406.271924 NA MeJP NA NA +MJ056493 Stolonoxide A C24H38O5 406.271924 NA MeJP NA NA +MJ056494 Trunculin B C24H38O5 406.271924 NA MeJP NA NA +MJ056495 Trunculin F C24H38O5 406.271924 NA MeJP NA NA +MJ056496 Trunculin H C24H38O5 406.271924 NA MeJP NA NA +MetaCyc03410 3-α,12-α-dihydroxy-7-oxo-5-β-cholanate [] C24H38O5 406.271924 NA metacyc NA NA +MetaCyc03411 3α,7α-dihydroxy-12-oxo-5β-cholanate [] C24H38O5 406.271924 NA metacyc NA NA +MJ056497 Glutamine, N2-(9Z,12Z,15Z-Octadecatrienoyl) C23H38N2O4 406.283157 NA MeJP NA NA +MJ056498 Emmolactone; Deoxy C28H38O2 406.28718 NA MeJP NA NA +MJ056499 Isodeoxyemmolactone C28H38O2 406.28718 NA MeJP NA NA +MJ056500 12,16,22-Trihydroxy-24-methyl-25-nor-24-scalaranone C25H42O4 406.308309 NA MeJP NA NA +MJ056501 13,17,19-Villanovanetriol, 19-O-(3-Methylbutanoyl) C25H42O4 406.308309 NA MeJP NA NA +MJ056502 14-Labdene-6,8,13-triol, 6-Angeloyl C25H42O4 406.308309 NA MeJP NA NA +MJ056503 2,5-Dihydroxy-3-octadecyl-1,4-benzoquinone; 5-Me ether C25H42O4 406.308309 NA MeJP NA NA +MJ056504 3-(3,4-Dihydroxyphenyl)-1-propanol; 1-O-Hexadecanoyl C25H42O4 406.308309 NA MeJP NA NA +MJ056505 3-Heptadecyl-2,5-dihydroxybenzoquinone; 5-Et ether C25H42O4 406.308309 NA MeJP NA NA +MJ056506 6,16,17-Kauranetriol, 17-(2-Methylbutanoyl) C25H42O4 406.308309 NA MeJP NA NA +MJ056507 8(17)-Labdene-15,19-diol, 15-Carboxylic acid, 19-(2-Methylbutanoyl) C25H42O4 406.308309 NA MeJP NA NA +MJ056508 8(17)-Labdene-15,19-diol, 19-Carboxylic acid, 15-(2-methylbutanoyl) C25H42O4 406.308309 NA MeJP NA NA +MJ056509 8(17)-Labdene-2,15-diol, 15-Carboxylic acid, 2-(3-methylbutanoyl) C25H42O4 406.308309 NA MeJP NA NA +MJ056510 8,13-Labdadiene-6,7,15-triol, O6-(3-Methylbutanoyl) C25H42O4 406.308309 NA MeJP NA NA +MJ056511 Mycaperoxide G; Me ester C25H42O4 406.308309 NA MeJP NA NA +MJ056512 Sigmosceptrellin A; Me ester C25H42O4 406.308309 NA MeJP NA NA +HMDB11554 MG(0:0/22:4(7Z,10Z,13Z,16Z)/0:0) C25H42O4 406.308319 NA HMDB2010 NA NA +HMDB11584 MG(22:4(7Z,10Z,13Z,16Z)/0:0/0:0) C25H42O4 406.308319 NA HMDB2010 NA NA +MJ056513 Stigmasta-4,6,8(14),22-tetraen-3-one C29H42O 406.323565 NA MeJP NA NA +MJ056514 4,7-Epoxy-11-eremophilanol, Undecanoyl C26H46O3 406.344695 NA MeJP NA NA +MJ056515 2,6,10,15,19,23-Hexamethyl-2,6,8,10,12,14,18,22-tetracosaoctaene C30H46 406.359951 NA MeJP NA NA +MJ056516 21-Isopropyl-28,29,30-trinor-17,19,21-gammaceratriene C30H46 406.359951 NA MeJP NA NA +MJ056517 3,18,20-Filicatriene C30H46 406.359951 NA MeJP NA NA +MJ056518 18-Heptacosene-2,4-dione C27H50O2 406.38108 NA MeJP NA NA +MJ056519 2,4,6-Trimethyl-2,15-tetracosadienoic acid C27H50O2 406.38108 NA MeJP NA NA +MJ056520 24-Methyl-5,9-hexacosadienoic acid C27H50O2 406.38108 NA MeJP NA NA +MJ056521 25-Methyl-5,9-hexacosadienoic acid C27H50O2 406.38108 NA MeJP NA NA +MJ056522 15,20-Octacosadien-11-ol C28H54O 406.417466 NA MeJP NA NA +MJ056523 1-Nonacosene C29H58 406.453851 NA MeJP NA NA +MJ056524 13-Nonacosene C29H58 406.453851 NA MeJP NA NA +MJ056525 14-Nonacosene C29H58 406.453851 NA MeJP NA NA +MJ056526 9-Nonacosene C29H58 406.453851 NA MeJP NA NA +MJ056527 Coscinamide A C20H14BrN3O2 407.026939 NA MeJP NA NA +MJ056528 Berupipam C19H19BrClNO2 407.028769 NA MeJP NA NA +C08412 Glucoiberverin C11H21NO9S3 407.0378 NA KEGG NA NA +MJ056529 3-(Methylthio)propyl glucosinolate C11H21NO9S3 407.037843 NA MeJP NA NA +MetaCyc03412 3-methylthiopropyl-glucosinolate [glucoiberverin;] C11H21N1O9S3 407.037843 NA metacyc NA NA +MJ056530 Dichloro(1,1-cyclohexanedimethanamine-N,N')platinum C8H18Cl2N2Pt 407.049478 NA MeJP NA NA +MJ056531 Metibride C18H18ClN3O2S2 407.052895 NA MeJP NA NA +MJ056532 Floxacrine C20H13ClF3NO3 407.053605 NA MeJP NA NA +MJ056533 Elnadipine C19H19Cl2N3O3 407.080346 NA MeJP NA NA +MJ056534 Pinadoline C19H19Cl2N3O3 407.080346 NA MeJP NA NA +MetaCyc03413 S-succinylglutathione [] C14H21N3O9S1 407.09985 NA metacyc NA NA +C03174 S-Succinylglutathione C14H21N3O9S 407.0999 NA KEGG NA NA +MJ056535 Erysothiopine C19H21NO7S 407.103872 NA MeJP NA NA +PJ000995 GCND C13H21N5O8S 407.1111 NA PeJP NA NA +MJ056536 Peraclopone C20H23Cl2N3O2 407.116732 NA MeJP NA NA +MJ056537 (Cyclohexylmethyl)[3-[[1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid C18H28Cl2NO3P 407.118385 NA MeJP NA NA +MJ056538 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,8-Di-Me ether, 7-O-?-D-glucopyranoside C19H21NO9 407.121631 NA MeJP NA NA +PJ000996 EEM C15H25N3O8S 407.1362 NA PeJP NA NA +MJ056539 ?-Glutamyl-?-glutamylmethionine C15H25N3O8S 407.136235 NA MeJP NA NA +MJ056540 8-Carboxymethyldihydrochelerythrine C23H21NO6 407.136887 NA MeJP NA NA +MJ056541 Pagoclone C23H22ClN3O2 407.140054 NA MeJP NA NA +7906 synthetic peptide HDH 407.1429 antioxidative Inhouse_peptide NA peptide +7978 synthetic peptide DHH 407.1429 antioxidative Inhouse_peptide NA peptide +PJ000997 GSNM C14H25N5O7S 407.1475 NA PeJP NA NA +MJ056542 3-[1-[[2-Hydroxy-3-[hydroxy[(4-methoxyphenyl)methyl]phosphinyl]propyl]amino]ethyl]benzoic acid C20H26NO6P 407.149774 NA MeJP NA NA +PJ000998 DHH C16H21N7O6 407.1554 NA PeJP NA NA +MJ056543 Coelenterazine; 4'-Deoxy C26H21N3O2 407.163376 NA MeJP NA NA +C00982 Renilla luciferin C26H21N3O2 407.1634 NA KEGG NA NA +C07168 Trifluoperazine C21H24F3N3S 407.1643 NA KEGG NA NA +C07169 Transferred to D00390 C21H24F3N3S 407.1643 NA KEGG NA NA +C07170 Transferred to D00391 C21H24F3N3S 407.1643 NA KEGG NA NA +MJ056544 Trifluoperazine C21H24F3N3S 407.164303 NA MeJP NA NA +MetaCyc03414 trifluoperazine [10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;] C21H24N3F3S1 407.164303 NA metacyc NA NA +PJ000999 SSSQ C14H25N5O9 407.1652 NA PeJP NA NA +3557 ACE inhibitor FNQ 407.1689 ACE inhibitor Inhouse_peptide NA peptide +PJ001000 PEY C19H25N3O7 407.1693 NA PeJP NA NA +MJ056545 4-(2-Hydroxy-3-methyl-3-butenyl)yukocitrine C24H25NO5 407.173272 NA MeJP NA NA +MJ056546 Tyloindicine J C24H25NO5 407.173272 NA MeJP NA NA +MJ056547 2-Ethyl-4-[[2'-(1H-tetrazol-5-yl)[1,1-biphenyl]-4-yl]methoxy]quinoline C25H21N5O 407.17461 NA MeJP NA NA +3704 NA YPFGFQG 407.1755 MH2+ Inhouse_peptide NA peptide +3727 NA YPFGFCQG 407.1755 MH2+ Inhouse_peptide NA peptide +MJ056548 Estatin A; p-Hydroxybenzyl analogue C18H25N5O6 407.180483 NA MeJP NA NA +PJ001001 NQF C18H25N5O6 407.1805 NA PeJP NA NA +MJ056549 Ciclonium(1+); Bromide C22H34BrNO 407.182377 NA MeJP NA NA +3599 NA YPFGFW~ 407.1835 MH2+ Inhouse_peptide NA peptide +PJ001002 GTCK C15H29N5O6S 407.1839 NA PeJP NA NA +MJ056550 Tinisulpride C20H29N3O4S 407.187877 NA MeJP NA NA +MJ056551 Feldamycin C17H25N7O5 407.191716 NA MeJP NA NA +3705 NA YPFGFKG 407.1935 MH2+ Inhouse_peptide NA peptide +MJ056552 Crotaverrine; O-Ac C21H29NO7 407.194402 NA MeJP NA NA +MJ056553 Ligularidine C21H29NO7 407.194402 NA MeJP NA NA +MJ056554 Senkirkine; Ac C21H29NO7 407.194402 NA MeJP NA NA +MJ056555 Metrenperone C24H26FN3O2 407.200905 NA MeJP NA NA +PJ001003 SSSK C15H29N5O8 407.2016 NA PeJP NA NA +PJ001004 LEF C20H29N3O6 407.2057 NA PeJP NA NA +MJ056556 1,3,4-Trihydroxyacridone; O4,N-Di-Me, O3-(3,7-dimethyl-2,6-octadienyl) C25H29NO4 407.209658 NA MeJP NA NA +MJ056557 13a-Methyltylohirsutine C25H29NO4 407.209658 NA MeJP NA NA +MJ056558 Alihirsutine A C25H29NO4 407.209658 NA MeJP NA NA +MJ056559 Ancistrobertsonine D C25H29NO4 407.209658 NA MeJP NA NA +MJ056560 Ancistrobrevine B C25H29NO4 407.209658 NA MeJP NA NA +MJ056561 Ancistrobrevine C; 1,2-Dihydro, stereoisomer C25H29NO4 407.209658 NA MeJP NA NA +MJ056562 Ancistrocladine C25H29NO4 407.209658 NA MeJP NA NA +MJ056563 Atalaphylline; 3,5-Di-Me ether C25H29NO4 407.209658 NA MeJP NA NA +MJ056564 Atalaphylline; 3-Me ether, N-Me C25H29NO4 407.209658 NA MeJP NA NA +MJ056565 Dioncophylline A; Stereoisomer, Me ether C25H29NO4 407.209658 NA MeJP NA NA +MJ056566 Korupensamine A; 6-Me ether, N-Me C25H29NO4 407.209658 NA MeJP NA NA +MJ056567 Korupensamine A; Atropisomer, 4'-O-de-Me, 5',8-di-Me ether, N-Me C25H29NO4 407.209658 NA MeJP NA NA +MJ056568 Tropodifene C25H29NO4 407.209658 NA MeJP NA NA +C09335 Ancistrocladine C25H29NO4 407.2097 NA KEGG NA NA +PJ001005 NKF C19H29N5O5 407.2169 NA PeJP NA NA +MJ056569 2-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-4,4-dimethyl-1,3(2H,4H)-isoquinolinedione C24H29N3O3 407.220891 NA MeJP NA NA +MJ056570 4-[(2-Amino-5-pyrimidinyl)ethynyl]-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexanol C24H29N3O3 407.220891 NA MeJP NA NA +MJ056571 6-(3,4-Dimethoxyphenyl)-1-ethyl-3,4-dihydro-3-methyl-4-[(2,4,6-trimethylphenyl)imino]-2(1H)-pyrimidinone C24H29N3O3 407.220891 NA MeJP NA NA +MJ056572 Ibukinamine; 18-Demethoxy C22H33NO6 407.230787 NA MeJP NA NA +MJ056573 Lamarckinine C22H33NO6 407.230787 NA MeJP NA NA +MJ056574 Monticamine; 7-Hydroxy C22H33NO6 407.230787 NA MeJP NA NA +MJ056575 Monticamine; 9?-Hydroxy C22H33NO6 407.230787 NA MeJP NA NA +MJ056576 Toddaliamide C22H33NO6 407.230787 NA MeJP NA NA +3065 fragment of bovine beta-casein 191-193 LLY 407.231 celiac toxic Inhouse_peptide NA peptide +7657 ACE inhibitor from human plasma LIY 407.231 antioxidative Inhouse_peptide NA peptide +MJ056577 Bidisomide C22H34ClN3O2 407.233955 NA MeJP NA NA +C11331 Leu-leu-tyr C21H33N3O5 407.242 NA KEGG NA NA +PJ001006 LLY C21H33N3O5 407.242 NA PeJP NA NA +HMDB11678 Geranylgeranylcysteine C23H37NO3S 407.24942 NA HMDB2010 NA NA +MJ056578 Antibiotic Ro 09-1547; 4-Me ether, 3-O-[N-(3-oxobutyl)glycyl] C23H37NO5 407.267173 NA MeJP NA NA +MJ056579 Bicolorine; O1-Me C23H37NO5 407.267173 NA MeJP NA NA +MJ056580 Bicolorine; O6-Me C23H37NO5 407.267173 NA MeJP NA NA +MJ056581 Bicolorine; O8-Me C23H37NO5 407.267173 NA MeJP NA NA +MJ056582 Blacknidine C23H37NO5 407.267173 NA MeJP NA NA +MJ056583 Conaconitine C23H37NO5 407.267173 NA MeJP NA NA +MJ056584 Crispulidine C23H37NO5 407.267173 NA MeJP NA NA +MJ056585 Glutamic acid, N-(9Z,12Z,15Z-Octadecatrienoyl) C23H37NO5 407.267173 NA MeJP NA NA +MJ056586 Karakoline; 12?-Hydroxy, O14-Me C23H37NO5 407.267173 NA MeJP NA NA +MJ056587 Norerythrostachaldine C23H37NO5 407.267173 NA MeJP NA NA +MJ056588 Talatizamine; 1-Epimer, O1-de-Me C23H37NO5 407.267173 NA MeJP NA NA +MJ056589 Talatizamine; O1,O18-Di-de-Me, O8-Me C23H37NO5 407.267173 NA MeJP NA NA +MJ056590 Talatizamine; O1-De-Me C23H37NO5 407.267173 NA MeJP NA NA +MJ056591 Talatizamine; O18-De-Me C23H37NO5 407.267173 NA MeJP NA NA +C08666 Cammaconine C23H37NO5 407.2672 NA KEGG NA NA +C08701 Norerythrostachaldine C23H37NO5 407.2672 NA KEGG NA NA +MJ056592 Disobutamide C23H38ClN3O 407.27034 NA MeJP NA NA +MJ056593 Antibiotic BE 14106; 8-Deoxy C27H37NO2 407.282429 NA MeJP NA NA +MJ056594 16-Isocyano-4,6,8,10-tetramethoxy-11,13-dimethyl-1,11,13-heptadecatriene C24H41NO4 407.303558 NA MeJP NA NA +MJ056595 Calicogorgin A C24H41NO4 407.303558 NA MeJP NA NA +MJ056596 Cassaidine C24H41NO4 407.303558 NA MeJP NA NA +C08669 Cassaidine C24H41NO4 407.3036 NA KEGG NA NA +MJ056597 Miltefosine C21H46NO4P 407.316445 NA MeJP NA NA +MJ056598 Antibiotic U 106305 C28H41NO 407.318814 NA MeJP NA NA +MJ056599 Radarin B; 6-Deoxy C28H41NO 407.318814 NA MeJP NA NA +HMDB06318 gamma-linolenyl carnitine C25H45NO3 407.33994 http://www.hmdb.ca/metabolites/HMDB06318 HMDB NA NA +HMDB06319 alpha-linolenyl carnitine C25H45NO3 407.33994 http://www.hmdb.ca/metabolites/HMDB06319 HMDB NA NA +HMDB06318 gamma-linolenyl carnitine C25H45NO3 407.33994 HMDB06318 PFEM_hmdb_metabocards_official NA NA +HMDB06319 alpha-linolenyl carnitine C25H45NO3 407.33994 HMDB06319 PFEM_hmdb_metabocards_official NA NA +8223 antioxidative peptide HVCYMF 407.6487 MH2+ Inhouse_peptide NA peptide +3725 NA YPFGFEG 407.6675 MH2+ Inhouse_peptide NA peptide +C14382 4-Hydroxy-2,2',3,4',5,5',6-heptachlorobiphenyl C12H3Cl7O 407.8004 NA KEGG NA NA +C14726 2,2',3,3',4',5,5'-Heptachloro-4-biphenylol C12H3Cl7O 407.8004 NA KEGG NA NA +C15213 2,2',3',4,4',5,5'-Heptachloro-3-biphenylol C12H3Cl7O 407.8004 NA KEGG NA NA +C15648 Octachlorocamphene C10H8Cl8 407.8134 NA KEGG NA NA +MJ056600 1,1-Dibromo-2-iodo-1-octen-3-one C8H11Br2IO 407.822133 NA MeJP NA NA +MJ056601 2,4,5,7-Tetrachloro-1,3,6-trihydroxy-8-methylxanthone; 3-Me ether C15H8Cl4O5 407.912584 NA MeJP NA NA +MJ056602 2,10-Dibromo-3-chloro-7(14),9-chamigradien-8-ol; 8-Ketone C15H19Br2ClO 407.949118 NA MeJP NA NA +MJ056603 Dactylyne C15H19Br2ClO 407.949118 NA MeJP NA NA +MJ056604 Isodactylyne C15H19Br2ClO 407.949118 NA MeJP NA NA +MJ056605 Sumetizide C12H13ClN4O6S2 407.996503 NA MeJP NA NA +MJ056606 Democonazole C19H15Cl3N2O2 408.01991 NA MeJP NA NA +MJ056607 Triphlorethol C; 3'-Chloro C18H13ClO9 408.024809 NA MeJP NA NA +MJ056608 Antibiotic MM 4550A C13H16N2O9S2 408.029721 NA MeJP NA NA +MJ056609 Diospyrin; 2'-Chloro C22H13ClO6 408.040065 NA MeJP NA NA +MJ056610 Diospyrin; 3'-Chloro C22H13ClO6 408.040065 NA MeJP NA NA +MetaCyc03415 glucotropeolin [glucotropaeolin;] C14H18N1O9S2 408.042298 499-26-3 metacyc NA NA +MJ056611 Hamacanthin A, 6''-Debromo, 3S,4-dihydro C20H17BrN4O 408.058573 NA MeJP NA NA +MJ056612 Hamacanthin A, 6'-Debromo, 3S,4-dihydro C20H17BrN4O 408.058573 NA MeJP NA NA +MJ056613 Hamacanthin B; 6''-Debromo, 3,4-dihydro(cis-) C20H17BrN4O 408.058573 NA MeJP NA NA +MJ056614 Hamacanthin B; 6'-Debromo, 3,4-dihydro(cis-) C20H17BrN4O 408.058573 NA MeJP NA NA +MJ056615 Atranorin; 5-Chloro C19H17ClO8 408.061195 NA MeJP NA NA +MJ056616 Carpetimycin A; 1',2'-Dihydro, S-deoxy, O-sulfate C14H20N2O8S2 408.066107 NA MeJP NA NA +MJ056617 Bazzania acid C18H16O11 408.069261 NA MeJP NA NA +MJ056618 Elfazepam C19H18ClFN2O3S 408.071069 NA MeJP NA NA +MJ056619 Susalimod C21H16N2O5S 408.077992 NA MeJP NA NA +EUR301 Glutathione oxidized F3 F3 408.079275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR301 Gluthation oxyde F3 NA 408.079275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR301 Glutathione oxidized F3 F3 408.079275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR301 Gluthation oxyde F3 NA 408.079275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR301 Glutathione oxidized F3 F3 408.079275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR301 Gluthation oxyde F3 NA 408.079275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR301 Glutathione oxidized F3 F3 408.079275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR301 Glutathione oxidized F3 F3 408.079275 standards wishlist analysés sur QTOF HMDB NA NA +EUR301 Glutathione oxidized F3 F3 408.079275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR301 Gluthation oxyde F3 NA 408.079275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR301 Glutathione oxidized F3 F3 408.079275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR301 Glutathione oxidized F3 F3 408.079275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C12370 Tetracenomycin E C22H16O8 408.0845 NA KEGG NA NA +C12378 Tetracenomycin B2 C22H16O8 408.0845 NA KEGG NA NA +FL3FAENF0001 Torosaflavone C;(5bR,8aS)-rel-4H,5b,8a-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methyl-8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione C22H16O8 408.08451 144049-86-5 knapsack NA NA +FL4DAANC0001 3,5,7,4'-Tetrahydroxy-3'-(5''-formyl-2''-hydroxyphenyl)flavanone C22H16O8 408.08451 144224-04-4 knapsack NA NA +FL5FACNC0001 8-p-Hydroxybenzylquercetin C22H16O8 408.08451 163399-32-4 knapsack NA NA +MJ056620 2',4,4',5,5',6-Hexahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4,5:4',5'-Bis(methylene), 2',6-di-Me ether C22H16O8 408.084517 NA MeJP NA NA +MJ056621 2-[2,4-Dihydroxy-6-[(4-hydroxy-2-oxo-2H-pyran-6-yl)methyl]phenyl]-7-hydroxy-5-methyl-4H-1-benzopyran-4-one C22H16O8 408.084517 NA MeJP NA NA +MJ056622 3'-(3-Formyl-6-hydroxyphenyl)-3,4',5,7-tetrahydroxyflavanone C22H16O8 408.084517 NA MeJP NA NA +MJ056623 4',5,7-Trihydroxy-8-(4-hydroxybenzyl)flavone; 3,3'-Dihydroxy C22H16O8 408.084517 NA MeJP NA NA +MJ056624 9-[(2,3-Dihydro-6-hydroxy-2-(hydroxymethyl)-3-benzofuranyl)oxy]-3,10-dihydroxy-6H-dibenzo[b,d]pyran-6-one C22H16O8 408.084517 NA MeJP NA NA +MJ056625 Anhydromaggiemycin C22H16O8 408.084517 NA MeJP NA NA +MJ056626 Antibiotic Zg; 1'-Ketone C22H16O8 408.084517 NA MeJP NA NA +MJ056627 Bis[4-hydroxy-2-oxo-2H-1-benzopyran-3-yl]acetic acid; Et ester C22H16O8 408.084517 NA MeJP NA NA +MJ056628 Tetracenomycin D3; 3,8-Di-Me ether C22H16O8 408.084517 NA MeJP NA NA +MJ056629 Tetracenomycin D3; Me ester, 3(or 8) Me ether C22H16O8 408.084517 NA MeJP NA NA +MJ056630 Torosaflavone C C22H16O8 408.084517 NA MeJP NA NA +PJ001007 GCDD C13H20N4O9S 408.0951 NA PeJP NA NA +MJ056631 3-Chloro-8,9,14-trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Tigloyl C20H21ClO7 408.09758 NA MeJP NA NA +MJ056632 3-Chloro-8,9,15-trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-O-Tigloyl C20H21ClO7 408.09758 NA MeJP NA NA +MJ056633 Eriodermic acid; Me ester C20H21ClO7 408.09758 NA MeJP NA NA +MJ056634 Xylerythrin C26H16O5 408.099773 NA MeJP NA NA +C09011 Khellol glucoside C19H20O10 408.1056 NA KEGG NA NA +MJ056635 2,4,4',6-Tetrahydroxybenzophenone; 2-O-?-D-Glucopyranoside C19H20O10 408.105646 NA MeJP NA NA +MJ056636 2,4,4',6-Tetrahydroxybenzophenone; 4-O-?-D-Glucopyranoside C19H20O10 408.105646 NA MeJP NA NA +MJ056637 3-Glucosyl-2,4,4',6-tetrahydroxybenzophenone C19H20O10 408.105646 NA MeJP NA NA +MJ056638 ?-Sorigenin; 6-Methoxy, 8-O-?-D-glucopyranoside C19H20O10 408.105646 NA MeJP NA NA +MJ056639 Arbutin; 6-O-(3,4-Dihydroxybenzoyl) C19H20O10 408.105646 NA MeJP NA NA +MJ056640 Equisetumpyrone; 3'-Deoxy C19H20O10 408.105646 NA MeJP NA NA +MJ056641 Khellol; 7-(?-D-Glucopyranosyl) C19H20O10 408.105646 NA MeJP NA NA +MJ056642 Methyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(2-oxo-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-3-pyridinecarboxylate C18H21N2O7P 408.108637 NA MeJP NA NA +MJ056643 3-(4-Hydroxyphenyl)-1-propanol; 4'-Me ether, 1-O-(2-O-sulfo-?-D-glucopyranoside) C16H24O10S 408.109017 NA MeJP NA NA +PJ001008 SPCC C14H24N4O6S2 408.1137 NA PeJP NA NA +MJ056644 Arteflene C19H18F6O3 408.116013 NA MeJP NA NA +MJ056645 Cystothiazole A; 5-O-De-Me C19H24N2O4S2 408.117748 NA MeJP NA NA +MJ056646 Melithiazoles; Melithiazole H C19H24N2O4S2 408.117748 NA MeJP NA NA +MJ056647 Omapatrilat C19H24N2O4S2 408.117748 NA MeJP NA NA +FL5F2CNP0001 3,6-Dimethoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2,3:7,8]flavone C23H20O7 408.1209 77970-06-0 knapsack NA NA +FLIA1LNP0004 Ferrugone C23H20O7 408.1209 7731-08-0 knapsack NA NA +FLIA2LNP0001 Ichthynone C23H20O7 408.1209 24340-62-3 knapsack NA NA +FLIAECNP0001 5-Methoxydurmillone;5,6-Dimethoxy-3',4'methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone C23H20O7 408.1209 124596-67-4 knapsack NA NA +FLIFWXNF0004 Dehydroamorphigenin;6a,12a-Didehydroamorphigenin C23H20O7 408.1209 29444-01-7 knapsack NA NA +FLIFWXNF0005 Villosol;6a,12-Didehydrosumatrol C23H20O7 408.1209 60077-62-5 knapsack NA NA +FLIFWXNP0003 Dehydrotoxicarol;7a,13a-Didehydrotoxicarol C23H20O7 408.1209 59086-93-0 knapsack NA NA +FLIFWYNF0002 Amorpholone C23H20O7 408.1209 57103-58-9 knapsack NA NA +FLIHBCNF0001 Glabrescin C23H20O7 408.1209 65893-96-1 knapsack NA NA +FLIHBCNP0002 Robustin methyl ether C23H20O7 408.1209 22044-62-8 knapsack NA NA +FLIHBCNP0004 Isorobustin 4-methyl ether;4-O-Methylisorobustin C23H20O7 408.1209 78648-15-4 knapsack NA NA +FLIHFANF0001 Thonningine B C23H20O7 408.1209 86989-17-5 knapsack NA NA +MJ056648 13-Homo-13-oxa-6a,12a-dehydrodeguelin C23H20O7 408.120902 NA MeJP NA NA +MJ056649 13-Homo-13-oxa-6a,12a-dehydrorotenone C23H20O7 408.120902 NA MeJP NA NA +MJ056650 2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-(3,4-Methylenedioxybenzoyl) C23H20O7 408.120902 NA MeJP NA NA +MJ056651 3,6-Dimethoxy-3',4'-methylenedioxy-6'',6''-dimethylchromeno[7,8:2'',3'']flavone C23H20O7 408.120902 NA MeJP NA NA +MJ056652 3-(1,3-Benzodioxol-5-yl)-4-hydroxy-5-methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one; Me ether C23H20O7 408.120902 NA MeJP NA NA +MJ056653 ?-Toxicarol; 6a,12a-Didehydro C23H20O7 408.120902 NA MeJP NA NA +MJ056654 Amorphigenin; 6a,12a-Didehydro C23H20O7 408.120902 NA MeJP NA NA +MJ056655 Dehydrorotenone, 12-Hydroxy C23H20O7 408.120902 NA MeJP NA NA +MJ056656 Durmillone; 5-Methoxy C23H20O7 408.120902 NA MeJP NA NA +MJ056657 Ferrugone C23H20O7 408.120902 NA MeJP NA NA +MJ056658 Glabrescin C23H20O7 408.120902 NA MeJP NA NA +MJ056659 Ichthynone C23H20O7 408.120902 NA MeJP NA NA +MJ056660 Isorobustin; Me ether C23H20O7 408.120902 NA MeJP NA NA +MJ056661 Khellactone, 10-Benzoyl, 9-Ac C23H20O7 408.120902 NA MeJP NA NA +MJ056662 Pipoxide, 2-Ac C23H20O7 408.120902 NA MeJP NA NA +MJ056663 Robustin; Me ether C23H20O7 408.120902 NA MeJP NA NA +MJ056664 Sumatrol; 6a,12a-Didehydro C23H20O7 408.120902 NA MeJP NA NA +MJ056665 Thonningine B C23H20O7 408.120902 NA MeJP NA NA +MJ056666 Vaginidiol; 3'-O-Benzoyl, 1''-O-Ac C23H20O7 408.120902 NA MeJP NA NA +MJ056667 ?-Toxicarol; 7a,13a-Didehydro C23H20O7 408.120902 NA MeJP NA NA +MJ056668 Podolactone D C20H24O7S 408.124273 NA MeJP NA NA +MJ056669 Adoxosidic acid; 6?, 8?-Dihydroxy C16H24O12 408.126776 NA MeJP NA NA +MJ056670 Eustomorusside C16H24O12 408.126776 NA MeJP NA NA +MJ056671 Sarakalim C20H19F3N2O4 408.129691 NA MeJP NA NA +C14669 12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione C21H29BrO3 408.13 NA KEGG NA NA +PJ001009 GSDM C14H24N4O8S 408.1315 NA PeJP NA NA +MJ056672 Adifoline; 10-Deoxy C22H20N2O6 408.132136 NA MeJP NA NA +MJ056673 Isochromophilone VII C21H25ClO6 408.133966 NA MeJP NA NA +MJ056674 4-[(4-Chlorophenyl)(1H-imidazol-2-ylmethyl)amino]-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carbonitrile C22H21ClN4O2 408.135303 NA MeJP NA NA +MJ056675 Wybutoxine C16H20N6O7 408.139347 NA MeJP NA NA +C07601 Ginkgolide A C20H24O9 408.142 NA KEGG NA NA +C09279 Nodakenin C20H24O9 408.142 NA KEGG NA NA +MJ056676 1-(2,5-Dihydroxyphenyl)-2-(3,4-dihydroxyphenyl)ethane; 2-O-?-D-Glucopyranoside C20H24O9 408.142032 NA MeJP NA NA +MJ056677 1-Hydroxy-6-oxo-2-cyclohexene-1-carboxylic acid; 1-O-?-D-Glucopyranoside, benzyl ester C20H24O9 408.142032 NA MeJP NA NA +MJ056678 1-Hydroxy-6-oxo-2-cyclohexene-1-carboxylic acid; OH-form, 2-O-?-D-Glucopyranoside, benzyl ester C20H24O9 408.142032 NA MeJP NA NA +MJ056679 2,3',4',5'-Biphenyltetrol; 3',5'-Di-Me ether, 2-O-?-D-glucopyranoside C20H24O9 408.142032 NA MeJP NA NA +MJ056680 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-?-D-Glucopyranoside C20H24O9 408.142032 NA MeJP NA NA +MJ056681 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-?-D-Galactopyranoside C20H24O9 408.142032 NA MeJP NA NA +MJ056682 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-?-D-Glucopyranoside C20H24O9 408.142032 NA MeJP NA NA +MJ056683 2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 6-Me ether, 8-O-?-D-glucopyranoside C20H24O9 408.142032 NA MeJP NA NA +MJ056684 2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 8-Me ether, 6-O-?-D-glucopyranoside C20H24O9 408.142032 NA MeJP NA NA +MJ056685 3,4-Epoxy-1,8,10-trihydroxy-2-oxo-11(13)-guaien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) C20H24O9 408.142032 NA MeJP NA NA +MJ056686 4'-Hydroxy-3',4'-dihydroseselin; O-?-D-Glucopyranoside C20H24O9 408.142032 NA MeJP NA NA +MJ056687 6-Tuliposide A; 1-O-Cinnamoyl C20H24O9 408.142032 NA MeJP NA NA +MJ056688 Arnottinin; (E)-Isomer, 4'-O-?-D-glucopyranoside C20H24O9 408.142032 NA MeJP NA NA +MJ056689 Dihydrooroselol, O-?-D-Glucopyranoside C20H24O9 408.142032 NA MeJP NA NA +MJ056690 Eurycomanol; 2-Ketone C20H24O9 408.142032 NA MeJP NA NA +MJ056691 Ginkgolide C; 1,7-Dideoxy C20H24O9 408.142032 NA MeJP NA NA +MJ056692 Lomatin, O-?-D-Glucopyranoside C20H24O9 408.142032 NA MeJP NA NA +MJ056693 Vilmorinine A C20H24O9 408.142032 NA MeJP NA NA +MJ056694 Thaxtomin A; 3''-Deoxy, N4-de-Me C21H20N4O5 408.143369 NA MeJP NA NA +MJ056695 Amlodipine C20H25ClN2O5 408.145199 NA MeJP NA NA +HMDB05018 Amlodipine C20H25ClN2O5 408.1452 http://www.hmdb.ca/metabolites/HMDB05018 HMDB NA NA +C06825 Amlodipine C20H25ClN2O5 408.1452 NA KEGG NA NA +C06826 Transferred to D00228 C20H25ClN2O5 408.1452 NA KEGG NA NA +HMDB05018 Amlodipine C20H25ClN2O5 408.1452 HMDB05018 PFEM_hmdb_metabocards_official NA NA +HMDB05018 Amlodipine C20H25ClN2O5 408.145203 NA HMDB2010 NA NA +PJ001010 TCW C18H24N4O5S 408.1468 NA PeJP NA NA +PJ001011 SSSE C14H24N4O10 408.1493 NA PeJP NA NA +PJ001012 QMM C15H28N4O5S2 408.1501 NA PeJP NA NA +MJ056696 Clobetasol; 11-Ketone C22H26ClFO4 408.150365 NA MeJP NA NA +MJ056697 3-[(4-Hydroxyphenyl)methyl]-1,4-dimethyl-3,6-bis(methylthio)-2,5-piperazinedione; O-(3-Methyl-2-butenyl) C20H28N2O3S2 408.154134 NA MeJP NA NA +FLNAA9NF0003 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one C24H24O6 408.15728 54947-83-0 knapsack NA NA +FLNAA9NF0004 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(butyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one C24H24O6 408.15728 - knapsack NA NA +MJ056698 2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(1-oxobutyl)-9-phenyl-7H-furo[2,3-f][1]benzopyran-7-one C24H24O6 408.157288 NA MeJP NA NA +MJ056699 5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(1-oxobutyl)-4-phenyl-2H-1-benzopyran-2-one; ?3''-Isomer, 2''-hydroxy C24H24O6 408.157288 NA MeJP NA NA +MJ056700 8,15-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 8-Cinnamoyl C24H24O6 408.157288 NA MeJP NA NA +MJ056701 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one C24H24O6 408.157288 NA MeJP NA NA +MJ056702 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one C24H24O6 408.157288 NA MeJP NA NA +MJ056703 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(3-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one C24H24O6 408.157288 NA MeJP NA NA +MJ056704 Calabaxanthone; 9-Hydroxy C24H24O6 408.157288 NA MeJP NA NA +MJ056705 Caloxanthone A; 8-Me ether C24H24O6 408.157288 NA MeJP NA NA +MJ056706 Caloxanthone A; 9-Me ether C24H24O6 408.157288 NA MeJP NA NA +MJ056707 Garciniaxanthone F C24H24O6 408.157288 NA MeJP NA NA +MJ056708 Macluraxanthone; 10-Me ether C24H24O6 408.157288 NA MeJP NA NA +MJ056709 Mammea A/BC; ?3''-Isomer, 2''?-hydroxy C24H24O6 408.157288 NA MeJP NA NA +MJ056710 Rubiginone A1; 4-O-(2-Methylpropanoyl) C24H24O6 408.157288 NA MeJP NA NA +MJ056711 Terphenyllin; 3'-O-De-Me, 2',4,4''-tri-Me ether, 3'-Ac C24H24O6 408.157288 NA MeJP NA NA +MJ056712 Terphenyllin; 4,4''-Di-Me ether, 2'-Ac C24H24O6 408.157288 NA MeJP NA NA +MJ056713 Thwaitesixanthone; 5-Methoxy, 1,2-dihydro C24H24O6 408.157288 NA MeJP NA NA +MJ056714 Montirelin C17H24N6O4S 408.157973 NA MeJP NA NA +C11710 Devazepide C25H20N4O2 408.1586 NA KEGG NA NA +MJ056715 Devazepide C25H20N4O2 408.158625 NA MeJP NA NA +MJ056716 Fukinolidiol; 1-(3-Methylthio-2Z-propenoyl), 9-Ac C21H28O6S 408.160659 NA MeJP NA NA +MJ056717 Fukinolidiol; 9-(3-Methylthio-2Z-propenoyl), 1-Ac C21H28O6S 408.160659 NA MeJP NA NA +PJ001013 CMR C14H28N6O4S2 408.1614 NA PeJP NA NA +MJ056718 Achatin I C18H24N4O7 408.164499 NA MeJP NA NA +PJ001014 NEF C18H24N4O7 408.1645 NA PeJP NA NA +MJ056719 2-(12-Bromo-1,5,9-trimethyl-2,4-dodecadien-11-ynyl)cyclopropanebutanoic acid C22H33BrO2 408.166392 NA MeJP NA NA +PJ001015 GTTM C15H28N4O7S 408.1679 NA PeJP NA NA +2736 regulating phosphoinositole mechanism peptide GFW 408.168 antibacterial Inhouse_peptide NA peptide +C09046 Bleekerine C23H24N2O5 408.1685 NA KEGG NA NA +MJ056720 Alstonine; 10,11-Dimethoxy C23H24N2O5 408.168521 NA MeJP NA NA +MJ056721 Henningsamide; O-Ac C23H24N2O5 408.168521 NA MeJP NA NA +MJ056722 Tabersonine, 3-Oxo, 19S-acetoxy C23H24N2O5 408.168521 NA MeJP NA NA +MJ056723 9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione C22H29ClO5 408.170351 NA MeJP NA NA +MJ056724 Alclometasone C22H29ClO5 408.170351 NA MeJP NA NA +C06842 Beclomethasone C22H29ClO5 408.1704 NA KEGG NA NA +MJ056725 Tamsulosin C20H28N2O5S 408.171892 NA MeJP NA NA +C07124 Tamsulosin C20H28N2O5S 408.1719 NA KEGG NA NA +C07125 Transferred to D00370 C20H28N2O5S 408.1719 NA KEGG NA NA +MJ056726 [3-(2-[1,1':2',1''-Terphenyl]-4'-ylethyl)phenoxy]acetic acid C28H24O3 408.172544 NA MeJP NA NA +MJ056727 Enkastine; Enkastine 1 C16H28N2O10 408.174395 NA MeJP NA NA +MJ056728 Enkastine; Enkastine 3 C16H28N2O10 408.174395 NA MeJP NA NA +MJ056729 Timobesone C22H29FO4S 408.177058 NA MeJP NA NA +C09579 Vernoflexuoside C21H28O8 408.1784 NA KEGG NA NA +MJ056730 1,10-Epoxy-3,6,8-trihydroxy-7(11)-eremophilen-12,8-olide, 8-(2-Methylpropanoyl), 3-Ac C21H28O8 408.178417 NA MeJP NA NA +MJ056731 1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-(2-Methylpropanoyl), 13-Ac C21H28O8 408.178417 NA MeJP NA NA +MJ056732 1,4,6,9-Tetrahydroxy-11(13)-eudesmen-12,8-olide, 6-(Methylpropenoyl), 1-Ac C21H28O8 408.178417 NA MeJP NA NA +MJ056733 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 13-Et ether, 8-(2-methylpropenoyl) C21H28O8 408.178417 NA MeJP NA NA +MJ056734 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1,13-Di-Me ether, 8-methylpropenoyl C21H28O8 408.178417 NA MeJP NA NA +MJ056735 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 13-Et ether, 8-(methylpropenoyl) C21H28O8 408.178417 NA MeJP NA NA +MJ056736 1,5,8-Trihydroxy-14-oxo-4(15),9,11(13)-germacratrien-12,6-olide, 4?,15-Epoxide, O1-Et, 8-O-(2-methyl-2-propenoyl) C21H28O8 408.178417 NA MeJP NA NA +MJ056737 2,3,4-Trihydroxy-11(13)-pseudoguaien-12,8-olide, Tri-Ac C21H28O8 408.178417 NA MeJP NA NA +MJ056738 2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 9-(2-Methylpropanoyl), 2-Ac C21H28O8 408.178417 NA MeJP NA NA +MJ056739 3,10-Epoxy-1,3,8,15-tetrahydroxy-4,11(13)-germacradien-12,6-olide, 3-Me ether, 8-angeloyl C21H28O8 408.178417 NA MeJP NA NA +MJ056740 3,4,9-Trihydroxy-11(13)-pseudoguaien-12,8-olide, Tri-Ac C21H28O8 408.178417 NA MeJP NA NA +MJ056741 3,8,10-Trihydroxy-1-oxo-11(13)-germacren-12,6-olide, 8-(2-Methylpropenoyl), 10-Ac C21H28O8 408.178417 NA MeJP NA NA +MJ056742 3,8-Epoxy-2,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 2-Ac C21H28O8 408.178417 NA MeJP NA NA +MJ056743 3-Hydroxy-1,4(15),11(13)-eudesmatrien-12,6-olide, O-?-D-Glucopyranoside C21H28O8 408.178417 NA MeJP NA NA +MJ056744 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, O-?-D-Glucopyranoside C21H28O8 408.178417 NA MeJP NA NA +MJ056745 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, ?-D-Glucopyranoside C21H28O8 408.178417 NA MeJP NA NA +MJ056746 4,5-Epoxy-1,8,13-trihydroxy-7(11)-germacren-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac C21H28O8 408.178417 NA MeJP NA NA +MJ056747 4,8,9,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 8-(2-Methylpropanoyl), 9-Ac C21H28O8 408.178417 NA MeJP NA NA +MJ056748 5,8,10-Trihydroxy-1-oxo-11(13)-germacren-12,6-olide, 8-(2-Methylpropenoyl), 10-Ac C21H28O8 408.178417 NA MeJP NA NA +MJ056749 6,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 6-(2,3-Dihydroxy-2-methylpropanoyl), 15-Ac C21H28O8 408.178417 NA MeJP NA NA +MJ056750 8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 9-Ac C21H28O8 408.178417 NA MeJP NA NA +MJ056751 8,9,10-Trihydroxy-1-oxo-3,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 9-Ac C21H28O8 408.178417 NA MeJP NA NA +MJ056752 8,9,13-Trihydroxy-12,6:14,4-guaianediolide, 13-Me ether, 8-angeloyl C21H28O8 408.178417 NA MeJP NA NA +MJ056753 9-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, O-?-D-Glucopyranoside C21H28O8 408.178417 NA MeJP NA NA +MJ056754 9-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-?-D-Glucopyranoside C21H28O8 408.178417 NA MeJP NA NA +MJ056755 Picrodendrin M; 8-Deoxy C21H28O8 408.178417 NA MeJP NA NA +MJ056756 Plagiochiline I; 13-Acetoxy, Ac C21H28O8 408.178417 NA MeJP NA NA +MJ056757 Plagiochiline O C21H28O8 408.178417 NA MeJP NA NA +MJ056758 Plagiochiline R C21H28O8 408.178417 NA MeJP NA NA +CJpos0787 Tryptophan isomer [(2M+H)]+ C22H25N4O4 408.179175 C18rt(min)=5.26 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0787 Tryptophan isomer [(2M+H)]+ C22H25N4O4 408.179175 C18rt(min)=5.26 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +PJ001016 GFW C22H24N4O4 408.1798 NA PeJP NA NA +CJneg0595 Tryptophan isomer [(2M-H)]- C22H23N4O4 408.180325 C18rt(min)=5.26 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0595 Tryptophan isomer [(2M-H)]- C22H23N4O4 408.180325 C18rt(min)=5.26 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ056759 Tefludazine C22H24F4N2O 408.182476 NA MeJP NA NA +PJ001017 STTT C15H28N4O9 408.1856 NA PeJP NA NA +PJ001018 KMM C16H32N4O4S2 408.1865 NA PeJP NA NA +MJ056760 Blasticidin S; N-De-Me C16H24N8O5 408.186965 NA MeJP NA NA +MJ056761 Desalicetin C17H32N2O7S 408.193022 NA MeJP NA NA +FL1C1AND0001 Bartericin C C25H28O5 408.19367 681214-25-5 knapsack NA NA +FL1C1ANF0004 Bartericin B C25H28O5 408.19367 681214-46-0 knapsack NA NA +FL1C1ANI0017 Xanthoangelol B C25H28O5 408.19367 132998-81-3 knapsack NA NA +FL1C1ANI0020 Bartericin D C25H28O5 408.19367 851771-46-5 knapsack NA NA +FL1C1ANI0024 Bartericin A C25H28O5 408.19367 681214-24-4 knapsack NA NA +FL1C1ANI0029 Paratocarpin D;3'-Prenyl-3-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone C25H28O5 408.19367 161099-59-8 knapsack NA NA +FL1C1ANI0030 Paratocarpin E;3-Prenyl-3'-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone C25H28O5 408.19367 161099-60-1 knapsack NA NA +FL1C1ANI0032 Anthyllin;5-Prenyl-3-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone C25H28O5 408.19367 178734-44-6 knapsack NA NA +FL1C1CNI0001 3'-Geranyl-3,4,2',4'-tetrahydroxychalcone C25H28O5 408.19367 307002-70-6 knapsack NA NA +FL1C1LNI0002 Kuwanol D C25H28O5 408.19367 123702-93-2 knapsack NA NA +FL1C1LNI0003 Ammothamnidin C25H28O5 408.19367 88640-94-2 knapsack NA NA +FL1CA9NF0002 Cedrediprenone;2',4'-Dihydroxy-3'-prenyl-5''-(2-hydroxyisopropyl)-4'',5''-dihydrofurano[2'',3'':6',5']chalcone C25H28O5 408.19367 554408-33-2 knapsack NA NA +FL1CAANI0002 3'-Geranylchalconaringenin;3'-Geranyl-4,2',4',6'-tetrahydroxychalcone C25H28O5 408.19367 189299-03-4 knapsack NA NA +FL1CHYNI0004 Glyinflanin A C25H28O5 408.19367 142542-83-4 knapsack NA NA +FL1D1CNP0001 4,2',4'-Trihydroxy-6''-methyl-6''-(4-methyl-3-pentenyl)pyrano[2'',3'':3,2]dihydrochalcone C25H28O5 408.19367 116207-29-5 knapsack NA NA +FL2F1LNI0001 Lehmannin C25H28O5 408.19367 112613-52-2 knapsack NA NA +FL2FA8NI0001 Kushenol A C25H28O5 408.19367 99217-63-7 knapsack NA NA +FL2FAANI0001 Abyssinone V C25H28O5 408.19367 77263-11-7 knapsack NA NA +FL2FAANI0002 6,8-Diprenylnaringenin;Lonchocarpol A;Senegalensein C25H28O5 408.19367 68236-11-3 knapsack NA NA +FL2FAANI0007 Euchrestaflavanone A C25H28O5 408.19367 80510-05-0 knapsack NA NA +FL2FAANI0011 Bonannione A C25H28O5 408.19367 97126-57-3 knapsack NA NA +FL2FAANI0012 Sophoraflavanone A C25H28O5 408.19367 87893-18-3 knapsack NA NA +FL2FAANI0015 5,7-Dihydroxy-4'-geranyloxyflavanone;4'-O-Geranylnaringenin C25H28O5 408.19367 160036-29-3 knapsack NA NA +FL2FAANI0018 Leachianone E C25H28O5 408.19367 139542-47-5 knapsack NA NA +FL2FAANI0021 Macarangaflavanone B;Paratocarpin L;5,7,4'-Trihydroxy-6,3'-diprenylflavanone C25H28O5 408.19367 97134-79-7 knapsack NA NA +FL2FAANI0024 Macarangaflavanone A;5,7,4'-Trihydroxy-3'-geranylflavanone C25H28O5 408.19367 171370-48-2 knapsack NA NA +FL2FAANI0025 Remangiflavanone A;5,7,4'-Trihydroxy-8-(2-isopropyl-5-methyl-5-hexenyl)flavanone C25H28O5 408.19367 289681-42-1 knapsack NA NA +FL2FAANP0013 Paratocarpin J;5-Hydroxy-bis(6'',6''-dimethyldihydropyrano[2'',3'':7,6][2'',3'':4',3'])flavanone C25H28O5 408.19367 170900-12-6 knapsack NA NA +FL2FAANP0014 Euchrenone a16;5,7-Dihydroxy-8-prenyl-6'',6''-dimethyldihydropyrano[2'',3'':4',3']flavanone C25H28O5 408.19367 474326-33-5 knapsack NA NA +FL4D1ANI0001 3-Hydroxyglabrol C25H28O5 408.19367 74148-41-7 knapsack NA NA +FL4DA9NI0004 (2R,3S)-3,5,7-Trihydroxy-6-geranylflavanone C25H28O5 408.19367 89648-69-1 knapsack NA NA +FLIDHXNI0010 2-Prenyl-6a-hydroxyphaseollidin;3,6a,9-Trihydroxy-2,10-diprenylpterocarpan C25H28O5 408.19367 104363-19-1 knapsack NA NA +MJ056762 1,3,5-Trihydroxy-2,4-diprenylxanthone; 3,5-Di-Me ether C25H28O5 408.193674 NA MeJP NA NA +MJ056763 1-(2,4-Dihydroxyphenyl)-3-[8-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-5-yl]-1-propanone C25H28O5 408.193674 NA MeJP NA NA +MJ056764 2',4',7-Trihydroxy-3',6-diprenylisoflavanone C25H28O5 408.193674 NA MeJP NA NA +MJ056765 2',4',7-Trihydroxy-5',6-diprenylisoflavanone C25H28O5 408.193674 NA MeJP NA NA +MJ056766 2',4',7-Trihydroxy-6,8-diprenylflavanone C25H28O5 408.193674 NA MeJP NA NA +MJ056767 2',4',7-Trihydroxy-6,8-diprenylisoflavanone C25H28O5 408.193674 NA MeJP NA NA +MJ056768 2',4,4',6'-Tetrahydroxy-3',5'-diprenylchalcone C25H28O5 408.193674 NA MeJP NA NA +MJ056769 2',4,4'-Trihydroxy-3,5-diprenylchalcone; ?3''-Isomer, 2''-hydroxy C25H28O5 408.193674 NA MeJP NA NA +MJ056770 2'-Geranyl-3',4',7-trihydroxyflavanone C25H28O5 408.193674 NA MeJP NA NA +MJ056771 2,4-Dihydroxy-6-(2-phenylethyl)-3-prenylbenzoic acid; 4-O-Angeloyl C25H28O5 408.193674 NA MeJP NA NA +MJ056772 3'-(3,7-Dimethyl-2,6-octadienyl)-2',3,4,4'-tetrahydroxychalcone C25H28O5 408.193674 NA MeJP NA NA +MJ056773 3'-(3,7-Dimethyl-2,6-octadienyl)-2',4,4',6'-tetrahydroxychalcone C25H28O5 408.193674 NA MeJP NA NA +MJ056774 3'-Geranyl-4',5,7-trihydroxyflavanone C25H28O5 408.193674 NA MeJP NA NA +MJ056775 3'-Geranyl-4',5,7-trihydroxyisoflavanone C25H28O5 408.193674 NA MeJP NA NA +MJ056776 3,5,7-Trihydroxy-6-geranylflavanone C25H28O5 408.193674 NA MeJP NA NA +MJ056777 3,6a,9-Trihydroxy-2,10-diprenylpterocarpan C25H28O5 408.193674 NA MeJP NA NA +MJ056778 3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-(2-phenylethenyl)benzoic acid, ?5''',6'''-Isomer, 7'''-hydroxy C25H28O5 408.193674 NA MeJP NA NA +MJ056779 4',5,7-Trihydroxy-3',5'-diprenylflavanone C25H28O5 408.193674 NA MeJP NA NA +MJ056780 4',5,7-Trihydroxy-3',6-diprenylflavanone C25H28O5 408.193674 NA MeJP NA NA +MJ056781 4',5,7-Trihydroxy-3',6-diprenylisoflavanone C25H28O5 408.193674 NA MeJP NA NA +MJ056782 4',5,7-Trihydroxy-3',8-diprenylflavanone C25H28O5 408.193674 NA MeJP NA NA +MJ056783 4',5,7-Trihydroxy-6,8-diprenylflavanone C25H28O5 408.193674 NA MeJP NA NA +MJ056784 4',5,7-Trihydroxy-8-lavandulylflavanone C25H28O5 408.193674 NA MeJP NA NA +MJ056785 4',5,7-Trihydroxyflavanone, 4'-O-(E-3,7-Dimethyl-2,6-octadienyl) C25H28O5 408.193674 NA MeJP NA NA +MJ056786 4',7-Dihydroxy-3',8-diprenylflavanone, 3R-Hydroxy C25H28O5 408.193674 NA MeJP NA NA +MJ056787 5'-Geranyl-2',4',7-trihydroxyisoflavanone C25H28O5 408.193674 NA MeJP NA NA +MJ056788 5-Hydroxy-6-(4-hydroxyphenylacetyl)-7-methoxy-2,2-dimethyl-8-prenyl-2H-1-benzopyran C25H28O5 408.193674 NA MeJP NA NA +MJ056789 Bonannione A C25H28O5 408.193674 NA MeJP NA NA +MJ056790 Calozeylanolactone C25H28O5 408.193674 NA MeJP NA NA +MJ056791 Cyclolycoserone; 1',8'-Diepimer, 6',7'-didehydro C25H28O5 408.193674 NA MeJP NA NA +MJ056792 Cyclolycoserone; 10',11'-Didehydro C25H28O5 408.193674 NA MeJP NA NA +MJ056793 Flemiflavanone B C25H28O5 408.193674 NA MeJP NA NA +MJ056794 Folitenol; 3''?-Hydroxy, 3'',4''-dihydro C25H28O5 408.193674 NA MeJP NA NA +MJ056795 Glyinflanin A C25H28O5 408.193674 NA MeJP NA NA +MJ056796 Ircinin 1; 8,9-Didehydro C25H28O5 408.193674 NA MeJP NA NA +MJ056797 Ircinolide; 21-Hydroxy C25H28O5 408.193674 NA MeJP NA NA +MJ056798 Kuraridin; Demethoxy C25H28O5 408.193674 NA MeJP NA NA +MJ056799 Kushenol A C25H28O5 408.193674 NA MeJP NA NA +MJ056800 Kuwanol D C25H28O5 408.193674 NA MeJP NA NA +MJ056801 Lehmannin C25H28O5 408.193674 NA MeJP NA NA +MJ056802 Lespedezol B1 C25H28O5 408.193674 NA MeJP NA NA +MJ056803 Marinone; Debromo C25H28O5 408.193674 NA MeJP NA NA +MJ056804 Mulberrofuran Y C25H28O5 408.193674 NA MeJP NA NA +MJ056805 Nassauviachromone; 12-Carboxylic acid C25H28O5 408.193674 NA MeJP NA NA +MJ056806 Paratocarpin D C25H28O5 408.193674 NA MeJP NA NA +MJ056807 Paratocarpin E C25H28O5 408.193674 NA MeJP NA NA +MJ056808 Paratocarpin J C25H28O5 408.193674 NA MeJP NA NA +MJ056809 Rhinacanthin A, O-(2,6-Dimethyl-2,6-octadienoyl) C25H28O5 408.193674 NA MeJP NA NA +MJ056810 Sophoraflavanone A C25H28O5 408.193674 NA MeJP NA NA +MJ056811 Spongionellin; 8,9-Didehydro (E-) C25H28O5 408.193674 NA MeJP NA NA +MJ056812 Variecoxanthone B C25H28O5 408.193674 NA MeJP NA NA +MJ056813 Vismianol A C25H28O5 408.193674 NA MeJP NA NA +MJ056814 Xanthoangelol; ?7''-Isomer, 6''-hydroxy C25H28O5 408.193674 NA MeJP NA NA +MetaCyc03416 3',5'-diprenylchalconaringenin [] C25H28O5 408.193674 NA metacyc NA NA +MetaCyc03417 3'-geranylchalconaringenin [] C25H28O5 408.193674 NA metacyc NA NA +C09319 Abyssinone V C25H28O5 408.1937 NA KEGG NA NA +C09724 6,8-Diprenylnaringenin C25H28O5 408.1937 NA KEGG NA NA +MJ056815 1-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-3-phenyl-2-imidazolidinone C23H25FN4O2 408.196154 NA MeJP NA NA +MJ056816 Antibiotic AC4437 C14H28N6O8 408.196861 NA MeJP NA NA +MJ056817 3-Hexen-1-ol, O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C18H32O10 408.199547 NA MeJP NA NA +MJ056818 Digoxose C18H32O10 408.199547 NA MeJP NA NA +PJ001019 VQY C19H28N4O6 408.2009 NA PeJP NA NA +MJ056819 17-Oxolupanine; 13-(E)-Cinnamoyloxy C24H28N2O4 408.204907 NA MeJP NA NA +MJ056820 17-Oxolupanine; 13-(Z)-Cinnamoyloxy C24H28N2O4 408.204907 NA MeJP NA NA +MJ056821 Vincamajine; O-Ac C24H28N2O4 408.204907 NA MeJP NA NA +8033 synthetic peptide PHR 408.211 antibacterial Inhouse_peptide NA peptide +PJ001020 ARY C18H28N6O5 408.2121 NA PeJP NA NA +EUR638 cortisol FA adduct [M+FA-H]- 408.2142 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR638 cortisol FA adduct [M+FA-H]- 408.2142 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR638 cortisol FA adduct [M+FA-H]- 408.2142 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR638 cortisol FA adduct [M+FA-H]- 408.2142 identifies dans standard mixture NuGO Inhousejuil11 NA NA +EUR638 cortisol FA adduct [M+FA-H]- 408.214225 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +EUR638 cortisol FA adduct [M+FA-H]- 408.214225 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR638 cortisol FA adduct [M+FA-H]- 408.214225 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR638 cortisol FA adduct [M+FA-H]- 408.214225 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR638 cortisol FA adduct [M+FA-H]- 408.214225 identifiés dans standard mixture NuGO HMDB NA NA +EUR638 cortisol FA adduct [M+FA-H]- 408.214225 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +EUR638 cortisol FA adduct [M+FA-H]- 408.214225 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR638 cortisol FA adduct [M+FA-H]- 408.214225 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +C09071 Cascarillin C22H32O7 408.2148 NA KEGG NA NA +C17031 Nigakilactone F C22H32O7 408.2148 NA KEGG NA NA +MJ056822 1,3,7,14-Tetrahydroxy-16-kaurene-12,15-dione, 16?,17-Dihydro, 3-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056823 1,7,14,18,20-Pentahydroxy-16-kauren-15-one, 18-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056824 12,20-Epoxy-11,13,20-trihydroxy-3,14-clerodadien-2-one, 3?,4?-Epoxide, 11-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056825 12,20-Epoxy-7,11,13,20-tetrahydroxy-3,14-clerodadien-2-one, 11-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056826 15,16-Epoxy-3,4,7,12-tetrahydroxy-13(16),14-clerodadien-20-al, 7-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056827 15,16-Epoxy-6,9,13,20-tetrahydroxy-14-labden-19-oic acid, 19?6 Lactone, 20-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056828 2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 14,15-Dihydro, 6-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056829 3,4,11-Trihydroxy-6-eudesmen-8-one, 3-(2,3-Epoxy-2-methylbutanoyl), 4-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056830 3,4,11-Trihydroxy-6-eudesmen-8-one, 11-Hydroperoxide, 3-angeloyl, 4-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056831 3,4,11-Trihydroxy-6-eudesmen-8-one, 3-(2,3-Epoxy-2-methylbutanoyl), 4-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056832 3,4-Dihydroxy-7(11)-eudesmen-8-one, 7?,11-Epoxide, 3-(2,3-epoxy-2-methylbutanoyl), 4-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056833 3,5,7-Trihydroxy-p-menth-1-en-6-one, 6?-Alcohol, 3,6-ditigloyl, 5-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056834 4,18:15,16-Diepoxy-13(16),14-clerodadiene-3,6,12,19-tetrol, 6-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056835 7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 11-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056836 7,20-Epoxy-16-kaurene-1,6,7,14,15-pentol, 1-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056837 7,20-Epoxy-16-kaurene-1,6,7,15,19-pentol, 19-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056838 7,20-Epoxy-16-kaurene-6,7,11,14,15-pentol, 6-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056839 7,8,16,18-Tetrahydroxy-19-serrulatanoic acid; 18-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056840 9,13-Epoxy-3,6-dihydroxy-7-oxo-15,16-labdanolide, 3-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056841 Cinncassiol A; 19-Deoxy, 1-Ac C22H32O7 408.214803 NA MeJP NA NA +MJ056842 Dysodanthin E C22H32O7 408.214803 NA MeJP NA NA +MJ056843 Hymenoxon; 2?-Tigloyloxy, 4-Et ether C22H32O7 408.214803 NA MeJP NA NA +MJ056844 Javanicin Z C22H32O7 408.214803 NA MeJP NA NA +MJ056845 Nigakilactone N; 12-Me ether C22H32O7 408.214803 NA MeJP NA NA +MJ056846 Picrasinol D C22H32O7 408.214803 NA MeJP NA NA +MJ056847 Mindoperone C25H29FN2O2 408.221306 NA MeJP NA NA +PJ001021 PHR C17H28N8O4 408.2234 NA PeJP NA NA +2830 PEP inhibitor PPPV 408.224 NA Inhouse_peptide NA peptide +MJ056848 Antibiotic Y 05460MA C21H32N2O6 408.226036 NA MeJP NA NA +MetaCyc03418 palmitoylglycerone phosphate [] C19H37O7P1 408.22769 NA metacyc NA NA +C01192 Palmitoylglycerone phosphate C19H37O7P 408.2277 NA KEGG NA NA +C01194 1-Phosphatidyl-D-myo-inositol C11H17O13PR2 408.2277 NA KEGG NA NA +C01196 3'-Hydroxyoligoribonucleotide C10H17O10PR2 408.2277 NA KEGG NA NA +FL1DA9NR0005 Methyllinderatin C26H32O4 408.23005 120948-03-0 knapsack NA NA +FL1DA9NR0007 Adunctin A C26H32O4 408.23005 151484-73-0 knapsack NA NA +MJ056849 Adunctin A C26H32O4 408.230059 NA MeJP NA NA +MJ056850 Amorfrutin B C26H32O4 408.230059 NA MeJP NA NA +MJ056851 Heterophylol C26H32O4 408.230059 NA MeJP NA NA +MJ056852 Kazinol M; 2'-Me ether C26H32O4 408.230059 NA MeJP NA NA +MJ056853 Linderatin, 4'-Me ether C26H32O4 408.230059 NA MeJP NA NA +MJ056854 Nimbocinol C26H32O4 408.230059 NA MeJP NA NA +MJ056855 Norbixin, Di-Me ester C26H32O4 408.230059 NA MeJP NA NA +MJ056856 Tenuifolin A C26H32O4 408.230059 NA MeJP NA NA +MJ056857 Irindalone C24H29FN4O 408.232539 NA MeJP NA NA +PJ001022 VKY C20H32N4O5 408.2373 NA PeJP NA NA +MJ056858 Lofentanil C25H32N2O3 408.241292 NA MeJP NA NA +3322 NA RRPYIL 408.2425 MH2+ Inhouse_peptide NA peptide +MJ056859 Konakhin C24H37ClO3 408.243122 NA MeJP NA NA +MJ056860 10(20)-Grayanotoxene-3,5,6,14,16-pentol, 14-Propanoyl C23H36O6 408.251188 NA MeJP NA NA +MJ056861 3,7-Dihydroxy-2-oxo-3-cleroden-15-oic acid, 7-Ac, Me ester C23H36O6 408.251188 NA MeJP NA NA +MJ056862 4,15:6,7-Diepoxy-1,8-dihydroxy-5-hirsutanone, 5?-Alcohol, 1-octanoyl C23H36O6 408.251188 NA MeJP NA NA +MJ056863 6-(2,12-Dihydroxytridecyl)-2,4-dihydroxybenzoic acid, 12'-Deoxy, 4-Me ether, 2'-Ac C23H36O6 408.251188 NA MeJP NA NA +MJ056864 Australifungin C23H36O6 408.251188 NA MeJP NA NA +MJ056865 Dendrillin C23H36O6 408.251188 NA MeJP NA NA +MJ056866 Dendrillolide D C23H36O6 408.251188 NA MeJP NA NA +MJ056867 Helogynic acid C23H36O6 408.251188 NA MeJP NA NA +MJ056868 Peroxyacarnoic acid A; 21,22-Dihydro, 21-oxo C23H36O6 408.251188 NA MeJP NA NA +C09063 Asebotoxin II C23H36O6 408.2512 NA KEGG NA NA +C10767 Dimethamine C24H32N4O2 408.2525 NA KEGG NA NA +MJ056869 Dimethamine C24H32N4O2 408.252526 NA MeJP NA NA +MJ056870 Apo-10'-violaxanthal C27H36O3 408.266445 NA MeJP NA NA +MJ056871 Carotenonaldehyde C27H36O3 408.266445 NA MeJP NA NA +MJ056872 Orestrate C27H36O3 408.266445 NA MeJP NA NA +MJ056873 Quingestanol; Ac C27H36O3 408.266445 NA MeJP NA NA +MJ056874 Sargaquinal C27H36O3 408.266445 NA MeJP NA NA +MetaCyc03419 3,5-dihydroxy-6,7-didehydro-12'-apo-β-caroten-12'-al [] C27H36O3 408.266445 NA metacyc NA NA +MetaCyc03420 5,6-epoxy-3-hydroxy-12'-apo-β-caroten-12'-al [] C27H36O3 408.266445 NA metacyc NA NA +MJ056875 Sinapoylspermine C21H36N4O4 408.273655 NA MeJP NA NA +MJ056876 Chilocorine C C26H36N2O2 408.277678 NA MeJP NA NA +MJ056877 Echinine C26H36N2O2 408.277678 NA MeJP NA NA +MJ056878 Fischerellin A C26H36N2O2 408.277678 NA MeJP NA NA +HMDB00312 3a,7a,12b-Trihydroxy-5b-cholanoic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00320 3a,4b,7a-Trihydroxy-5b-cholanoic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00326 1b,3a,12a-Trihydroxy-5b-cholanoic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00330 3a,4b,12a-Trihydroxy-5b-cholanoic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00364 3a,6a,7b-Trihydroxy-5b-cholanoic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00371 1,3,12-Trihydroxycholan-24-oic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00376 3b,7a,12a-Trihydroxy-5a-Cholanoic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00390 3a,7b,12b-Trihydroxy-5b-cholanoic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00395 3b,7b,12a-Trihydroxy-5b-cholanoic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00404 2b,3a,7a-Trihydroxy-5b-cholanoic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00414 1b,3a,7a-Trihydroxy-5b-cholanoic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00415 3a,6b,7b-Trihydroxy-5b-cholanoic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00419 3b,7a,12a-Trihydroxy-5b-cholanoic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00427 3b,7b,12a-Trihydroxy-5a-Cholanoic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00432 3a,7b,12a-Trihydroxy-5a-Cholanoic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00505 Allocholic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00506 Alpha-Muricholic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00527 6a,12a-Dihydroxylithocholic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00619 Cholic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00760 Hyocholic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00865 Muricholic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00917 Ursocholic acid C24H40O5 408.287567 NA HMDB2010 NA NA +HMDB00619 Cholic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00619 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00312 3a,7a,12b-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00312 HMDB NA NA +HMDB00320 3a,4b,7a-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00320 HMDB NA NA +HMDB00326 1b,3a,12a-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00326 HMDB NA NA +HMDB00330 3a,4b,12a-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00330 HMDB NA NA +HMDB00364 3a,6a,7b-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00364 HMDB NA NA +HMDB00371 1,3,12-Trihydroxycholan-24-oic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00371 HMDB NA NA +HMDB00376 3b,7a,12a-Trihydroxy-5a-Cholanoic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00376 HMDB NA NA +HMDB00390 3a,7b,12b-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00390 HMDB NA NA +HMDB00395 3b,7b,12a-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00395 HMDB NA NA +HMDB00404 2b,3a,7a-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00404 HMDB NA NA +HMDB00414 1b,3a,7a-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00414 HMDB NA NA +HMDB00415 3a,6b,7b-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00415 HMDB NA NA +HMDB00419 3b,7a,12a-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00419 HMDB NA NA +HMDB00427 3b,7b,12a-Trihydroxy-5a-Cholanoic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00427 HMDB NA NA +HMDB00432 3a,7b,12a-Trihydroxy-5a-Cholanoic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00432 HMDB NA NA +HMDB00505 Allocholic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00505 HMDB NA NA +HMDB00506 a-Muricholic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00506 HMDB NA NA +HMDB00527 6a,12a-Dihydroxylithocholic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00527 HMDB NA NA +HMDB00619 Cholic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00619 HMDB NA NA +HMDB00760 Hyocholic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00760 HMDB NA NA +HMDB00865 Muricholic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00865 HMDB NA NA +HMDB00917 Ursocholic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00917 HMDB NA NA +HMDB00619 Cholic acid C24H40O5 408.28757 http://www.hmdb.ca/metabolites/HMDB00619 PFEM_hmdb_metabocards_blood NA blood +HMDB00312 3a,7a,12b-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 HMDB00312 PFEM_hmdb_metabocards_official NA NA +HMDB00320 3a,4b,7a-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 HMDB00320 PFEM_hmdb_metabocards_official NA NA +HMDB00326 1b,3a,12a-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 HMDB00326 PFEM_hmdb_metabocards_official NA NA +HMDB00330 3a,4b,12a-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 HMDB00330 PFEM_hmdb_metabocards_official NA NA +HMDB00364 3a,6a,7b-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 HMDB00364 PFEM_hmdb_metabocards_official NA NA +HMDB00371 1,3,12-Trihydroxycholan-24-oic acid C24H40O5 408.28757 HMDB00371 PFEM_hmdb_metabocards_official NA NA +HMDB00376 3b,7a,12a-Trihydroxy-5a-Cholanoic acid C24H40O5 408.28757 HMDB00376 PFEM_hmdb_metabocards_official NA NA +HMDB00390 3a,7b,12b-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 HMDB00390 PFEM_hmdb_metabocards_official NA NA +HMDB00395 3b,7b,12a-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 HMDB00395 PFEM_hmdb_metabocards_official NA NA +HMDB00404 2b,3a,7a-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 HMDB00404 PFEM_hmdb_metabocards_official NA NA +HMDB00414 1b,3a,7a-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 HMDB00414 PFEM_hmdb_metabocards_official NA NA +HMDB00415 3a,6b,7b-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 HMDB00415 PFEM_hmdb_metabocards_official NA NA +HMDB00419 3b,7a,12a-Trihydroxy-5b-cholanoic acid C24H40O5 408.28757 HMDB00419 PFEM_hmdb_metabocards_official NA NA +HMDB00427 3b,7b,12a-Trihydroxy-5a-Cholanoic acid C24H40O5 408.28757 HMDB00427 PFEM_hmdb_metabocards_official NA NA +HMDB00432 3a,7b,12a-Trihydroxy-5a-Cholanoic acid C24H40O5 408.28757 HMDB00432 PFEM_hmdb_metabocards_official NA NA +HMDB00505 Allocholic acid C24H40O5 408.28757 HMDB00505 PFEM_hmdb_metabocards_official NA NA +HMDB00506 a-Muricholic acid C24H40O5 408.28757 HMDB00506 PFEM_hmdb_metabocards_official NA NA +HMDB00527 6a,12a-Dihydroxylithocholic acid C24H40O5 408.28757 HMDB00527 PFEM_hmdb_metabocards_official NA NA +HMDB00619 Cholic acid C24H40O5 408.28757 HMDB00619 PFEM_hmdb_metabocards_official NA NA +HMDB00760 Hyocholic acid C24H40O5 408.28757 HMDB00760 PFEM_hmdb_metabocards_official NA NA +HMDB00865 Muricholic acid C24H40O5 408.28757 HMDB00865 PFEM_hmdb_metabocards_official NA NA +HMDB00917 Ursocholic acid C24H40O5 408.28757 HMDB00917 PFEM_hmdb_metabocards_official NA NA +MJ056879 1,3,12-Trihydroxycholan-24-oic acid C24H40O5 408.287574 NA MeJP NA NA +MJ056880 1,3,7-Trihydroxycholan-24-oic acid C24H40O5 408.287574 NA MeJP NA NA +MJ056881 13,15,16-Isocopalanetriol, 15,16-Di-Ac C24H40O5 408.287574 NA MeJP NA NA +MJ056882 3,11-Dihydroxy-15-cembren-6-one, Di-Ac C24H40O5 408.287574 NA MeJP NA NA +MJ056883 3,12,16-Trihydroxycholan-24-oic acid C24H40O5 408.287574 NA MeJP NA NA +MJ056884 3,12,23-Trihydroxycholan-24-oic acid C24H40O5 408.287574 NA MeJP NA NA +MJ056885 3,6,12-Trihydroxycholan-24-oic acid C24H40O5 408.287574 NA MeJP NA NA +MJ056886 3,6,7-Trihydroxycholan-24-oic acid C24H40O5 408.287574 NA MeJP NA NA +MJ056887 3,7,12-Trihydroxycholan-24-oic acid C24H40O5 408.287574 NA MeJP NA NA +MJ056888 3,7,22-Trihydroxycholan-24-oic acid C24H40O5 408.287574 NA MeJP NA NA +MJ056889 3,7,23-Trihydroxycholan-24-oic acid C24H40O5 408.287574 NA MeJP NA NA +MJ056890 3-(17-Hydroxyheptadecyl)-4-methyl-2,5-furandione; Ac C24H40O5 408.287574 NA MeJP NA NA +MJ056891 3-Clerodene-15,16,18-triol, 15,16-Di-Ac C24H40O5 408.287574 NA MeJP NA NA +MJ056892 3-Clerodene-15,16,18-triol, 15,18-Di-Ac C24H40O5 408.287574 NA MeJP NA NA +MJ056893 3-Clerodene-15,18-diol, 18-(Methylmalonyl) C24H40O5 408.287574 NA MeJP NA NA +MJ056894 6,13-Epoxy-4(18)-eunicellene-8,9,12-triol, 9-Butanoyl C24H40O5 408.287574 NA MeJP NA NA +MJ056895 6,13-Epoxy-4(18)-eunicellene-8,9,12-triol, 12-Butanoyl C24H40O5 408.287574 NA MeJP NA NA +MJ056896 8,13-Epoxy-14,15-labdanediol, Di-Ac C24H40O5 408.287574 NA MeJP NA NA +MJ056897 Butaprost C24H40O5 408.287574 NA MeJP NA NA +MJ056898 Byssomeruliol A; 12'-Deoxy C24H40O5 408.287574 NA MeJP NA NA +MJ056899 Dihydro-4-hydroxy-5-methyl-3-[14-(5-methyl-2-oxo-3-furanyl)tetradecyl]-2(3H)-furanone C24H40O5 408.287574 NA MeJP NA NA +MJ056900 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate C24H40O5 408.287574 NA MeJP NA NA +MetaCyc03421 3α,7α,12β-trihydroxy-5β-cholanate [3α,7α,12β-trihydroxy-5β-cholanic acid;] C24H40O5 408.287574 NA metacyc NA NA +MetaCyc03422 cholate [cholic acid;3-α,7-α,12-α-trihydroxy-5-β-cholanate;3-α,7-α,12-α-trihydroxy-5-β-cholic acid;] C24H40O5 408.287574 81-25-4 metacyc NA NA +EUR642 Cholic acid NA 408.287575 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +EUR642 Cholic acid NA 408.287575 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR642 Cholic acid NA 408.287575 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR642 Cholic acid NA 408.287575 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR642 Cholic acid NA 408.287575 identifiés dans standard mixture NuGO HMDB NA NA +EUR642 Cholic acid NA 408.287575 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +EUR642 Cholic acid NA 408.287575 409.294775 Inhouse_sept12 NA NA +EUR642 Cholic acid NA 408.287575 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR642 Cholic acid NA 408.287575 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +EUR642 Cholic acid [M+H]+ 408.2876 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR642 Cholic acid [M+H]+ 408.2876 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR642 Cholic acid [M+H]+ 408.2876 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR642 Cholic acid [M+H]+ 408.2876 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C00695 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate C24H40O5 408.2876 NA KEGG NA NA +C01558 Bile salt C24H40O5 408.2876 NA KEGG NA NA +C01559 Butirosin C24H40O5 408.2876 NA KEGG NA NA +C01560 C-Protein C3H4N2O2R2 408.2876 NA KEGG NA NA +C04661 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanate C24H40O5 408.2876 NA KEGG NA NA +C04662 4-Deoxy-alpha-L-erythro-hex-4-enopyranuronoside C6H7O6R 408.2876 NA KEGG NA NA +C17644 Ursocholate C24H40O5 408.2876 NA KEGG NA NA +C17647 alpha-Muricholate C24H40O5 408.2876 NA KEGG NA NA +C17649 Hyocholate C24H40O5 408.2876 NA KEGG NA NA +C17650 Vulpecholate C24H40O5 408.2876 NA KEGG NA NA +C17654 beta-Phocaecholate C24H40O5 408.2876 NA KEGG NA NA +C17657 Bitocholate C24H40O5 408.2876 NA KEGG NA NA +C17667 Avicholate C24H40O5 408.2876 NA KEGG NA NA +C17668 Haemulcholate C24H40O5 408.2876 NA KEGG NA NA +C17726 beta-Muricholate C24H40O5 408.2876 NA KEGG NA NA +C17727 omega-Muricholate C24H40O5 408.2876 NA KEGG NA NA +C17737 Allocholic acid C24H40O5 408.2876 NA KEGG NA NA +MJ056901 Glutamine, N2-(9Z,12Z-Octadecadienoyl) C23H40N2O4 408.298807 NA MeJP NA NA +MJ056902 4,7,10,13,16,19,22,25-Octacosaoctaenoic acid C28H40O2 408.30283 NA MeJP NA NA +MJ056903 Ergosta-4,7,22-triene-3,6-dione C28H40O2 408.30283 NA MeJP NA NA +MJ056904 Plastoquinone; Plastoquinone 4 C28H40O2 408.30283 NA MeJP NA NA +MJ056905 26,27-Dinorcholestane-3,7,12,24-tetrol C25H44O4 408.323959 NA MeJP NA NA +MJ056906 29-Norcycloarta-3,24-dien-23-one C29H44O 408.339216 NA MeJP NA NA +MJ056907 Stigmasta-3,5,24(28)-trien-7-one C29H44O 408.339216 NA MeJP NA NA +MJ056908 Stigmasta-4,6,24-trien-3-one C29H44O 408.339216 NA MeJP NA NA +MJ056909 igmasta-4,6,8(14),22-tetraen-3-one, 22,23-Dihydro C29H44O 408.339216 NA MeJP NA NA +MJ056910 1-Cyclohexyl-2,14-dihydroxy-11,12-dimethyl-11-octadecen-8-one C26H48O3 408.360345 NA MeJP NA NA +MJ056911 17-Oxo-20-hexacosenoic acid C26H48O3 408.360345 NA MeJP NA NA +MJ056912 26-Hydroxyhexacosanoic acid; 22-Oxo, lactone C26H48O3 408.360345 NA MeJP NA NA +MJ056913 Ficulinic acid A C26H48O3 408.360345 NA MeJP NA NA +C16144 4,4'-Diapophytoene C30H48 408.3756 NA KEGG NA NA +MJ056914 1,5,9,13,17,21-Hexamethyl-1,5,9,13,17,21-cyclotetracosahexaene C30H48 408.375601 NA MeJP NA NA +MJ056915 11,13(18)-Neohopadiene C30H48 408.375601 NA MeJP NA NA +MJ056916 11,13(18)-Oleanadiene C30H48 408.375601 NA MeJP NA NA +MJ056917 2,6,10,15,19,23-Hexamethyl-2,6,10,12,14,18,22-tetracosaheptaene C30H48 408.375601 NA MeJP NA NA +MJ056918 3,18-Filicadiene C30H48 408.375601 NA MeJP NA NA +MJ056919 7,18-Fernadiene C30H48 408.375601 NA MeJP NA NA +MJ056920 7,9(11)-Fernadiene C30H48 408.375601 NA MeJP NA NA +MJ056921 9(11),18-Fernadiene C30H48 408.375601 NA MeJP NA NA +MJ056922 10,12-Heptacosanedione C27H52O2 408.39673 NA MeJP NA NA +MJ056923 12,14-Heptacosanedione C27H52O2 408.39673 NA MeJP NA NA +MJ056924 2,4,6-Trimethyl-2-tetracosenoic acid C27H52O2 408.39673 NA MeJP NA NA +MJ056925 2-Phyten-1-ol, Heptanoyl C27H52O2 408.39673 NA MeJP NA NA +MJ056926 20-Heptacosenoic acid C27H52O2 408.39673 NA MeJP NA NA +MJ056927 4,6-Heptacosanedione C27H52O2 408.39673 NA MeJP NA NA +MJ056928 6,8-Heptacosanedione C27H52O2 408.39673 NA MeJP NA NA +MJ056929 8,10-Heptacosanedione C27H52O2 408.39673 NA MeJP NA NA +MJ056930 10,10-Dimethyl-2-hexacosanone C28H56O 408.433116 NA MeJP NA NA +MJ056931 10-Octacosanone C28H56O 408.433116 NA MeJP NA NA +MJ056932 14-Octacosanone C28H56O 408.433116 NA MeJP NA NA +MJ056933 3-Octacosanone C28H56O 408.433116 NA MeJP NA NA +MJ056934 6,8,8-Trimethyl-7-pentacosanone C28H56O 408.433116 NA MeJP NA NA +MJ056935 Octacosanal C28H56O 408.433116 NA MeJP NA NA +C08384 Nonacosane C29H60 408.4695 NA KEGG NA NA +MJ056936 Nonacosane C29H60 408.469501 NA MeJP NA NA +MJ056937 2-Methyloctacosane C29H60 408.469501 NA MeJP NA NA +MJ056938 6,7-Dimethylheptacosane C29H60 408.469501 NA MeJP NA NA +3706 NA YPFGFMG 408.6667 MH2+ Inhouse_peptide NA peptide +C02153 Glucotropaeolin C14H19NO9S2 409.0501 NA KEGG NA NA +MJ056939 Benzyl glucosinolate C14H19NO9S2 409.050122 NA MeJP NA NA +MetaCyc03423 benzyl-glucosinolate [glucotropaeolin;] C14H19N1O9S2 409.050123 NA metacyc NA NA +MJ056940 Tiquizium(1+); Bromide C19H24BrNS2 409.053353 NA MeJP NA NA +MJ056941 Fanapenel C14H15F3N3O6P 409.065056 NA MeJP NA NA +MJ056942 Fibrostatins; Fibrostatin C C18H19NO8S 409.083137 NA MeJP NA NA +MJ056943 Fibrostatins; Fibrostatin D C18H19NO8S 409.083137 NA MeJP NA NA +MJ056944 Fibrostatins; Fibrostatin E C18H19NO8S 409.083137 NA MeJP NA NA +MJ056945 Biclofibrate C20H21Cl2NO4 409.084763 NA MeJP NA NA +MJ056946 Lifibrate C20H21Cl2NO4 409.084763 NA MeJP NA NA +C04811 1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole C12H20N5O9P 409.0999 NA KEGG NA NA +MJ056947 Sitafloxacin C19H18ClF2N3O3 409.100475 NA MeJP NA NA +C11248 DU-6859 C19H18ClF2N3O3 409.1005 NA KEGG NA NA +MJ056948 8-(2,4-Dichlorophenyl)-N-[2-methoxy-1-(methoxymethyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]-1,3,5-triazin-4-amine C18H21Cl2N5O2 409.10723 NA MeJP NA NA +PJ001023 GCCQ C13H23N5O6S2 409.109 NA PeJP NA NA +MJ056949 Endobenzyline(1+); Bromide C20H28BrNO3 409.125256 NA MeJP NA NA +PJ001024 SSCN C13H23N5O8S 409.1267 NA PeJP NA NA +PJ001025 GGSSC C13H23N5O8S 409.1268 NA PeJP NA NA +PJ001026 EMM C15H27N3O6S2 409.1341 NA PeJP NA NA +C11366 SN-38 carboxylate form C22H21N2O6 409.14 NA KEGG NA NA +MJ056950 Eniclobrate C24H24ClNO3 409.144471 NA MeJP NA NA +PJ001027 GCCK C14H27N5O5S2 409.1454 NA PeJP NA NA +PJ001028 DEF C18H23N3O8 409.1485 NA PeJP NA NA +MJ056951 Ezetimibe C24H21F2NO3 409.148949 NA MeJP NA NA +MJ056952 Citropone B C23H23NO6 409.152537 NA MeJP NA NA +MJ056953 Corynoline, Ac C23H23NO6 409.152537 NA MeJP NA NA +MJ056954 Isocorynoline, Ac C23H23NO6 409.152537 NA MeJP NA NA +MJ056955 Reframidine, 15-(Carboethoxy)methyl C23H23NO6 409.152537 NA MeJP NA NA +C08333 Linustatin C16H27NO11 409.1584 NA KEGG NA NA +MJ056956 2-Hydroxy-2-methylpropanoic acid; Nitrile, O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C16H27NO11 409.15841 NA MeJP NA NA +MJ056957 Queuine; 7-?-D-Ribofuranosyl C17H23N5O7 409.159748 NA MeJP NA NA +HMDB11596 Queuosine C17H23N5O7 409.15976 NA HMDB2010 NA NA +PJ001029 NNY C17H23N5O7 409.1598 NA PeJP NA NA +MJ056958 4-Methyl-N-[3-(4-morpholinyl)propyl]-6-(trifluoromethyl)-4H-furo[3,2-b]indole-2-carboxamide C20H22F3N3O3 409.161326 NA MeJP NA NA +MJ056959 Trifluperidol C22H23F4NO2 409.166491 NA MeJP NA NA +PJ001030 PMY C19H27N3O5S 409.1672 NA PeJP NA NA +MJ056960 8-Ethoxy-3-oxo-1,2-dehydroretrorsine C20H27NO8 409.173666 NA MeJP NA NA +MJ056961 Hackelidine; 7-Angeloyl, N-oxide C20H27NO8 409.173666 NA MeJP NA NA +MJ056962 Prideperone C23H24FN3O3 409.180169 NA MeJP NA NA +CJpos0788 Tryptophan isomer [(2M+H)]+ (13C) C2113CH25N4O4 409.182575 C18rt(min)=5.26 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0788 Tryptophan isomer [(2M+H)]+ (13C) C2113CH25N4O4 409.182575 C18rt(min)=5.26 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +PJ001031 VEY C19H27N3O7 409.1849 NA PeJP NA NA +MJ056963 13a-Hydroxytylophorine C24H27NO5 409.188922 NA MeJP NA NA +MJ056964 13a-Methyltylohirsutinidine C24H27NO5 409.188922 NA MeJP NA NA +MJ056965 4-Hydroxy-3,6,7-trimethoxyphenanthroindolizidine; Me ether, 14-hydroxy C24H27NO5 409.188922 NA MeJP NA NA +MJ056966 Aureothin, 4'-Denitro, 4'-acetamido C24H27NO5 409.188922 NA MeJP NA NA +MJ056967 Isotylocrebrine, N-Oxide C24H27NO5 409.188922 NA MeJP NA NA +MJ056968 Tyloindicine D C24H27NO5 409.188922 NA MeJP NA NA +MJ056969 Tyloindicine G C24H27NO5 409.188922 NA MeJP NA NA +MJ056970 Tyloindicine I C24H27NO5 409.188922 NA MeJP NA NA +MJ056971 Tylophorine, N-oxide C24H27NO5 409.188922 NA MeJP NA NA +MJ056972 Tylophorinicine C24H27NO5 409.188922 NA MeJP NA NA +MJ056973 Latrunculin C; 15-Ketone, 11-Me ether C21H31NO5S 409.192293 NA MeJP NA NA +MJ056974 Benexate C23H27N3O4 409.200156 NA MeJP NA NA +MJ056975 Tacraline C23H27N3O4 409.200156 NA MeJP NA NA +PJ001032 PFF C23H27N3O4 409.2002 NA PeJP NA NA +MJ056976 2-Butyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-3H-imidazo[4,5-b]pyridine C24H23N7 409.201493 NA MeJP NA NA +MJ056977 2-Ethyl-5,7-dimethyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-3H-imidazo[4,5-b]pyridine C24H23N7 409.201493 NA MeJP NA NA +PJ001033 LMF C20H31N3O4S 409.2035 NA PeJP NA NA +MJ056978 Callosine C21H31NO7 409.210052 NA MeJP NA NA +MJ056979 Monocrotaline; O13-(2-Methylbutanoyl) C21H31NO7 409.210052 NA MeJP NA NA +8270 f(139-146) of bovine kappa casein VESTVATL 409.2125 MH2+ Inhouse_peptide NA peptide +MJ056980 Spiperone; 3-N-Me C24H28FN3O2 409.216555 NA MeJP NA NA +MJ056981 Butaperazine C24H31N3OS 409.218783 NA MeJP NA NA +EUR816 Lyso PE 14:1 [M-H-CH3]- C19H38NO7P 409.222942 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR816 Lyso PE 14:1 [M-H-CH3]- C19H38NO7P 409.222942 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR816 Lyso PE 14:1 [M-H-CH3]- C19H38NO7P 409.222942 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR816 Lyso PE 14:1 [M-H-CH3]- C19H38NO7P 409.222942 masses lipides attendues Inhousejuil11 NA NA +MJ056982 Acidissiminol; 6',7'-Epoxide C25H31NO4 409.225308 NA MeJP NA NA +MJ056983 Fenperate C25H31NO4 409.225308 NA MeJP NA NA +MJ056984 Fenclexonium(1+); Methylsulfate C22H35NO4S 409.228679 NA MeJP NA NA +MJ056985 3,4-Dihydro-1-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-N-methyl-1H-2-benzopyran-6-carboxamide C24H31N3O3 409.236541 NA MeJP NA NA +MJ056986 Fructigenine B C24H31N3O3 409.236541 NA MeJP NA NA +MJ056987 Milipertine C24H31N3O3 409.236541 NA MeJP NA NA +MJ056988 Selprazine C24H31N3O3 409.236541 NA MeJP NA NA +3366 ACE inhibitor FQKVVAK 409.2435 MH2+ Inhouse_peptide NA peptide +28 Hemoglobin FQKVVAK 409.245 MH2+ Inhouse_peptide NA peptide +MJ056989 Dihydrogadesine; O6-De-Me, 6-epimer C22H35NO6 409.246437 NA MeJP NA NA +MJ056990 Lappaconidine C22H35NO6 409.246437 NA MeJP NA NA +MJ056991 Tatsinine C22H35NO6 409.246437 NA MeJP NA NA +MJ056992 Virescenine; O18-De-Me C22H35NO6 409.246437 NA MeJP NA NA +MJ056993 Glutamic acid, N-(9Z,12Z-Octadecadienoyl) C23H39NO5 409.282823 NA MeJP NA NA +MJ056994 Chaetochalasin A C27H39NO2 409.298079 NA MeJP NA NA +MJ056995 Ecliptalbine C27H39NO2 409.298079 NA MeJP NA NA +MJ056996 Heilonine C27H39NO2 409.298079 NA MeJP NA NA +MJ056997 Veratramine C27H39NO2 409.298079 NA MeJP NA NA +C10829 Veratramine C27H39NO2 409.2981 NA KEGG NA NA +MJ056998 15-Azasterol; 3-Ketone C28H43NO 409.334465 NA MeJP NA NA +MJ056999 2-(Aminomethyl)-2-propenoic acid; N-Eicosanoyl, Me ester C25H47NO3 409.355594 NA MeJP NA NA +MJ057000 N-(5-Methyl-3-tetradecenoyl)-N',N'',N''-trimethylspermidine C25H51N3O 409.403213 NA MeJP NA NA +7795 Antioxidant peptide derived from egg ovalbumin VHHANEN 409.6744 MH2+ Inhouse_peptide NA peptide +MJ057001 Bromamphenicol C11H12Br2N2O5 409.911296 NA MeJP NA NA +C11704 DuP 697 C17H12BrFO2S2 409.9446 NA KEGG NA NA +MJ057002 5-Bromo-2-(4-fluorophenyl)-3-[4-(methylthio)phenyl]thiophene; S,S-Dioxide C17H12BrFO2S2 409.944611 NA MeJP NA NA +MJ057003 2,2',4,4',6,6'-Biphenylhexol; 4,4'-Di-O-sulfate C12H10O12S2 409.961367 NA MeJP NA NA +MJ057004 2,10-Dibromo-3-chloro-7(14),9-chamigradien-8-ol C15H21Br2ClO 409.964768 NA MeJP NA NA +MJ057005 2,10-Dibromo-3-chloro-7,8-epoxy-9-chamigren-5-ol; 5-Deoxy C15H21Br2ClO 409.964768 NA MeJP NA NA +MJ057006 Kylinone C15H21Br2ClO 409.964768 NA MeJP NA NA +MJ057007 Ellagic acid; 2,7-Di-Me ether, 3-O-sulfate C16H10O11S 409.994381 NA MeJP NA NA +MJ057008 Ellagic acid; 3,8-Di-Me ether, 2-sulfate C16H10O11S 409.994381 NA MeJP NA NA +MJ057009 Phyllopsorin; 7-Chloro C18H12Cl2O7 409.996008 NA MeJP NA NA +C08065 Butoconazole C19H17Cl3N2S 410.0178 NA KEGG NA NA +MJ057010 Butoconazole C19H17Cl3N2S 410.017802 NA MeJP NA NA +C18013 3,3'-Biflaviolin C20H10O10 410.0274 NA KEGG NA NA +C18014 3,8'-Biflaviolin C20H10O10 410.0274 NA KEGG NA NA +FL3FECNSS008 6-Hydroxyluteolin 6,3'-dimethyl ether 7-sulfate C17H14O10S 410.03076 111509-46-7 knapsack NA NA +FL5FCDNSS001 Rhamnazin 3-O-sulfate C17H14O10S 410.03076 - knapsack NA NA +FL5FCENSS001 Ombuin 3-O-sulfate C17H14O10S 410.03076 112106-74-8 knapsack NA NA +FL5FDAGSS001 Quercetin 3,7-dimethyl ether 4'-sulfate;5-Hydroxy-2-[3-hydroxy-4-(sulfooxy)phenyl]-3,7-dimethoxy-4H-1-benzopyran-4-one C17H14O10S 410.03076 221662-09-5 knapsack NA NA +FL5FEANSS003 Eupalitin 3-O-sulfate C17H14O10S 410.03076 111316-16-6 knapsack NA NA +FL5FEANSS005 6-Hydroxykaempferol 7,4'-dimethyl ether 3-sulfate C17H14O10S 410.03076 - knapsack NA NA +MJ057011 3,3',4',5,7-Pentahydroxyflavone; 3,7-Di-Me ether, 4'-O-sulfate C17H14O10S 410.030767 NA MeJP NA NA +MJ057012 3,3',5-Trihydroxy-4',7-dimethoxyflavone; 3-O-Sulfate C17H14O10S 410.030767 NA MeJP NA NA +MJ057013 3,4',5-Trihydroxy-6,7-dimethoxyflavone; 3-O-Sulfate C17H14O10S 410.030767 NA MeJP NA NA +MJ057014 4',5,7-Trihydroxy-3',6-dimethoxyflavone; 7-O-Sulfate C17H14O10S 410.030767 NA MeJP NA NA +MJ057015 Ceftibuten C15H14N4O6S2 410.035475 NA MeJP NA NA +C08117 Ceftibuten C15H14N4O6S2 410.0355 NA KEGG NA NA +MJ057016 Pluracidomycin C3 C13H18N2O9S2 410.045371 NA MeJP NA NA +MJ057017 Kynapcin 9 C21H14O9 410.063782 NA MeJP NA NA +MJ057018 Tanomastat C23H19ClO3S 410.074342 NA MeJP NA NA +C10937 Bensulfuron methyl C16H18N4O7S 410.0896 NA KEGG NA NA +PJ001034 GCCE C13H22N4O7S2 410.093 NA PeJP NA NA +FL4DACNC0001 Gericudranin C C22H18O8 410.10016 172617-93-5 knapsack NA NA +FL4DACNC0002 Gericudranin B C22H18O8 410.10016 169592-16-9 knapsack NA NA +FL63ACNS0022 Epicatechin 3-O-p-hydroxybenzoate C22H18O8 410.10016 108907-45-5 knapsack NA NA +MJ057019 3,3',4',5,7-Pentahydroxy-6-(4-hydroxybenzyl)flavanone C22H18O8 410.100167 NA MeJP NA NA +MJ057020 3,3',4',5,7-Pentahydroxy-8-(4-hydroxybenzyl)flavanone C22H18O8 410.100167 NA MeJP NA NA +MJ057021 3,3',4',5,7-Pentahydroxyflavan, 3-O-(4-Hydroxybenzoyl) C22H18O8 410.100167 NA MeJP NA NA +MJ057022 Aklaviketone C22H18O8 410.100167 NA MeJP NA NA +MJ057023 Anhydro-?-pyrromycinone C22H18O8 410.100167 NA MeJP NA NA +MJ057024 Antibiotic Zg C22H18O8 410.100167 NA MeJP NA NA +MJ057025 Benzo[1,2-b:4,5-b']bisbenzofuran-2,3,6,8,9,12-hexol; 2,3,8,9-Tetra-Me ether C22H18O8 410.100167 NA MeJP NA NA +MJ057026 Desertorin A C22H18O8 410.100167 NA MeJP NA NA +MJ057027 Gossypidiene C22H18O8 410.100167 NA MeJP NA NA +MJ057028 Isokotanin A; 7,7'-Di-de-O-Me C22H18O8 410.100167 NA MeJP NA NA +MJ057029 Kotanin; 7,7'-Di-de-O-Me C22H18O8 410.100167 NA MeJP NA NA +MJ057030 Podophyllotoxin; 7,7',8,8'-Tetradehydro C22H18O8 410.100167 NA MeJP NA NA +MJ057031 [p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',3'-Di-Ac C22H18O8 410.100167 NA MeJP NA NA +MJ057032 [p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',5'-Di-Ac C22H18O8 410.100167 NA MeJP NA NA +C12422 Aklanonic acid methyl ester C22H18O8 410.1002 NA KEGG NA NA +C12423 Aklaviketone C22H18O8 410.1002 NA KEGG NA NA +C10949 Nicosulfuron C15H18N6O6S 410.1009 NA KEGG NA NA +PJ001035 CCW C17H22N4O4S2 410.1083 NA PeJP NA NA +MJ057033 Antibiotic MM 42842 C13H22N4O9S 410.110749 NA MeJP NA NA +PJ001036 SSCD C13H22N4O9S 410.1108 NA PeJP NA NA +MJ057034 15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2-Methyl-4-oxo-2E-butenoyl) C20H23ClO7 410.11323 NA MeJP NA NA +MJ057035 5,7-Dihydroxy-2,6-dimethyl-4H-1-benzopyran-4-one; 7-O-(2-O-Acetyl-?-D-glucopyranoside) C19H22O10 410.121296 NA MeJP NA NA +MJ057036 Aloenin C19H22O10 410.121296 NA MeJP NA NA +MJ057037 Aranochromanophthalide C19H22O10 410.121296 NA MeJP NA NA +MJ057038 Haloprogesterone C21H28BrFO2 410.12567 NA MeJP NA NA +PJ001037 GTCM C14H26N4O6S2 410.1294 NA PeJP NA NA +FL1CHYNP0007 Pongapinone A C23H22O7 410.13655 150501-60-3<BR>146713-95-3 knapsack NA NA +FL5FDDNF0002 Velloquercetin 3,5,3'-trimethyl ether C23H22O7 410.13655 148335-03-9 knapsack NA NA +FL5FDFNF0001 Velloquercetin 3,3',4'-trimethyl ether C23H22O7 410.13655 139955-66-1 knapsack NA NA +FLIA1LNI0006 Preferrugone;7-Hydroxy-2',5'-dimethoxy-3',4'-methylenedioxy-8-prenylisoflavone C23H22O7 410.13655 130286-68-9 knapsack NA NA +FLIAALNP0006 Toxicarolisoflavone C23H22O7 410.13655 19017-96-0 knapsack NA NA +FLIAECNI0001 Pre-5-methoxydurmillone;7-Hydroxy-5,6-dimethoxy-3',4'-methylenedioxy-8-prenylisoflavone C23H22O7 410.13655 130286-71-4 knapsack NA NA +FLIF1LNF0006 Amorphigenin;8'-Hydroxyrotenone C23H22O7 410.13655 07/09/4208 knapsack NA NA +FLIFALNF0001 Sumatrol C23H22O7 410.13655 82-10-0 knapsack NA NA +FLIFALNP0001 Toxicarol;alpha-Toxicarol;Toxicarin C23H22O7 410.13655 82-09-7 knapsack NA NA +FLIFHVNF0002 6-Hydroxyrotenone C23H22O7 410.13655 111136-94-8<BR>111136-95-9 knapsack NA NA +FLIFHXNP0001 Tephrosin C23H22O7 410.13655 76-80-2 knapsack NA NA +FLIFWXNF0006 Dehydrodalpanol;6a,12a-Didehydrodalpanol C23H22O7 410.13655 30465-57-7 knapsack NA NA +MJ057039 13-Hydroxyripariochromene A; Demethoxy, 13-(4-Hydroxy-3-methoxycinnamoyl) C23H22O7 410.136553 NA MeJP NA NA +MJ057040 2',3',4',5',7-Pentahydroxy-8-prenylisoflavone; 2',5'-Di-Me, 3',4'-methylene ether C23H22O7 410.136553 NA MeJP NA NA +MJ057041 3',4',5,6,7-Pentahydroxy-8-prenylisoflavone; 5,6-Di-Me, 3',4'-methylene ether C23H22O7 410.136553 NA MeJP NA NA +MJ057042 3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; Penta-Me ether C23H22O7 410.136553 NA MeJP NA NA +MJ057043 5,10-Dihydroxy-8-(3,4-dihydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one; 3',4',8-Tri-Me ether C23H22O7 410.136553 NA MeJP NA NA +MJ057044 8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(4-Hydroxyphenylacetyl) C23H22O7 410.136553 NA MeJP NA NA +MJ057045 Amorphigenin C23H22O7 410.136553 NA MeJP NA NA +MJ057046 Amorphispironone C23H22O7 410.136553 NA MeJP NA NA +MJ057047 Austocystin B; 4-Me ether C23H22O7 410.136553 NA MeJP NA NA +MJ057048 Cudraxanthone O C23H22O7 410.136553 NA MeJP NA NA +MJ057049 Dalpanol; 6a,12a-Didehydro C23H22O7 410.136553 NA MeJP NA NA +MJ057050 Deguelin, 13R-Hydroxy C23H22O7 410.136553 NA MeJP NA NA +MJ057051 Ponganone II C23H22O7 410.136553 NA MeJP NA NA +MJ057052 Pongapinone A C23H22O7 410.136553 NA MeJP NA NA +MJ057053 Rotenolone C23H22O7 410.136553 NA MeJP NA NA +MJ057054 Rotenone; 6?-Hydroxy C23H22O7 410.136553 NA MeJP NA NA +MJ057055 Sumatrol C23H22O7 410.136553 NA MeJP NA NA +MJ057056 Tephrosin C23H22O7 410.136553 NA MeJP NA NA +MJ057057 Toxicarolisoflavone C23H22O7 410.136553 NA MeJP NA NA +MJ057058 Velloquercetin; 3,3',4'-Tri-Me ether C23H22O7 410.136553 NA MeJP NA NA +MJ057059 Velloquercetin; 3,3',5-Tri-Me ether C23H22O7 410.136553 NA MeJP NA NA +MJ057060 ?-Toxicarol C23H22O7 410.136553 NA MeJP NA NA +C09490 Lactupicrin C23H22O7 410.1366 NA KEGG NA NA +C10464 12a-Hydroxyrotenone C23H22O7 410.1366 NA KEGG NA NA +C10532 Sumatrol C23H22O7 410.1366 NA KEGG NA NA +C10535 Tephrosin C23H22O7 410.1366 NA KEGG NA NA +C10537 Toxicarol C23H22O7 410.1366 NA KEGG NA NA +MJ057061 Quinaben C24H18N4O3 410.13789 NA MeJP NA NA +PJ001038 NDY C17H22N4O8 410.1438 NA PeJP NA NA +PJ001039 SSSM C14H26N4O8S 410.1471 NA PeJP NA NA +MJ057062 Darusentan C22H22N2O6 410.147786 NA MeJP NA NA +CJneg0596 Cinnamoylglycine [(2M-H)]- C22H21N2O6 410.148325 C18rt(min)=7.03 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0596 Cinnamoylglycine [(2M-H)]- C22H21N2O6 410.148325 C18rt(min)=7.03 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ057063 Teopranitol C16H22N6O7 410.154997 NA MeJP NA NA +MJ057064 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Me ether, 10,13-di-Ac C20H26O9 410.157682 NA MeJP NA NA +MJ057065 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Me ether, 8,13-di-Ac C20H26O9 410.157682 NA MeJP NA NA +MJ057066 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-Propanoyl, 13-Ac C20H26O9 410.157682 NA MeJP NA NA +MJ057067 4,7,7',8',9,9'-Hexahydroxy-3,3'-dimethoxy-8,4'-oxyneolignan C20H26O9 410.157682 NA MeJP NA NA +MJ057068 Aloesinol, 7-Me ether C20H26O9 410.157682 NA MeJP NA NA +MJ057069 Brucein E; 2-Ketone C20H26O9 410.157682 NA MeJP NA NA +MJ057070 Celaenodendrolide I C20H26O9 410.157682 NA MeJP NA NA +MJ057071 Eurycomanol C20H26O9 410.157682 NA MeJP NA NA +MJ057072 Indaquassin C C20H26O9 410.157682 NA MeJP NA NA +MJ057073 Picrodendrin S C20H26O9 410.157682 NA MeJP NA NA +MetaCyc03424 (2βOH)-GA28 [(2βOH)-gibberellin28;(2βOH)-gibberellin 28;(2βOH)-GA28;] C20H26O9 410.157682 NA metacyc NA NA +C08752 Bruceine D C20H26O9 410.1577 NA KEGG NA NA +C09799 Specionin C20H26O9 410.1577 NA KEGG NA NA +PJ001040 NMF C18H26N4O5S 410.1624 NA PeJP NA NA +MJ057074 Pirlimycin C17H31ClN2O5S 410.16422 NA MeJP NA NA +MJ057075 Clobetasol C22H28ClFO4 410.166015 NA MeJP NA NA +MJ057076 Clocortolone C22H28ClFO4 410.166015 NA MeJP NA NA +MJ057077 Nicotinamide ribonucleoside; 5'-O-(2?-Acetoxy-3?-methylpentanoyl) C19H27N2O8(+) 410.168915 NA MeJP NA NA +C10071 1-Isomangostin C24H26O6 410.1729 NA KEGG NA NA +C10080 Mangostin C24H26O6 410.1729 NA KEGG NA NA +FLIA1LNI0005 Prebarbigerone;7,2',4',5'-Tetramethoxy-8-prenylisoflavone C24H26O6 410.17293 130286-70-3 knapsack NA NA +MJ057078 1,3,5,6-Tetrahydroxy-2,4-diprenylxanthone; 3-Me ether C24H26O6 410.172938 NA MeJP NA NA +MJ057079 1,3,5,6-Tetrahydroxy-2,7-diprenylxanthone; 5-Me ether C24H26O6 410.172938 NA MeJP NA NA +MJ057080 1,3,6,7-Tetrahydroxy-2,5-diprenylxanthone; 7-Me ether C24H26O6 410.172938 NA MeJP NA NA +MJ057081 1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; 7-Me ether C24H26O6 410.172938 NA MeJP NA NA +MJ057082 1-Isomangostin C24H26O6 410.172938 NA MeJP NA NA +MJ057083 2',4',5',7-Tetrahydroxy-8-prenylisoflavone; 2',4',5',7-Tetra-Me ether C24H26O6 410.172938 NA MeJP NA NA +MJ057084 2'-Deoxy-2'-(3-methyl-2-butenoyl)bruceol; 2''?,3''-Epoxide C24H26O6 410.172938 NA MeJP NA NA +MJ057085 2-(3,7-Dimethyl-2,6-octadienyl)-1,3,6,7-tetrahydroxyxanthone, 7-Me ether C24H26O6 410.172938 NA MeJP NA NA +MJ057086 3,4-Epoxy-5-hydroxy-16,19-dioxobufa-14,20,22-trienolide C24H26O6 410.172938 NA MeJP NA NA +MJ057087 Calabaxanthone; 3,4-Dihydro, 9-hydroxy C24H26O6 410.172938 NA MeJP NA NA +MJ057088 Caloxanthone B C24H26O6 410.172938 NA MeJP NA NA +MJ057089 Cudraxanthone C C24H26O6 410.172938 NA MeJP NA NA +MJ057090 Cudraxanthone D C24H26O6 410.172938 NA MeJP NA NA +MJ057091 Cudraxanthone E C24H26O6 410.172938 NA MeJP NA NA +MJ057092 Egonol; O-(2-Methylbutanoyl) C24H26O6 410.172938 NA MeJP NA NA +MJ057093 Epoxyfarnochrol C24H26O6 410.172938 NA MeJP NA NA +MJ057094 Gerontoxanthone G; 5-Me ether C24H26O6 410.172938 NA MeJP NA NA +MJ057095 Paxanthonin C24H26O6 410.172938 NA MeJP NA NA +MJ057096 Rubraxanthone C24H26O6 410.172938 NA MeJP NA NA +MJ057097 Tipredane C22H31FO2S2 410.174949 NA MeJP NA NA +MJ057098 3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 6,8-Di-Me ether, 3-(3-methylthio-2Z-propenoyl) C21H30O6S 410.176309 NA MeJP NA NA +MJ057099 N,N,N-Trimethyl-3-[(1-oxoundecenyl)amino]-1-propanaminium(1+); Iodide C17H35IN2O 410.179407 NA MeJP NA NA +PJ001041 TQY C18H26N4O7 410.1802 NA PeJP NA NA +C08093 Oseltamivir phosphate C16H28N2O4 410.1818 NA KEGG NA NA +MJ057100 Akuammiline; N4-Oxide C23H26N2O5 410.184171 NA MeJP NA NA +MJ057101 Brucine; Nb-Oxide C23H26N2O5 410.184171 NA MeJP NA NA +MJ057102 Chanofruticosine methyl ester C23H26N2O5 410.184171 NA MeJP NA NA +MJ057103 Corialstonine C23H26N2O5 410.184171 NA MeJP NA NA +MJ057104 Icajine; 10-Methoxy, 19?,20?-epoxide C23H26N2O5 410.184171 NA MeJP NA NA +MJ057105 Isobrucine; N19-Oxide C23H26N2O5 410.184171 NA MeJP NA NA +MJ057106 Kopsidasinine; Demethoxy C23H26N2O5 410.184171 NA MeJP NA NA +MJ057107 Kopsijasmine, 12-Hydroxy C23H26N2O5 410.184171 NA MeJP NA NA +MJ057108 Myrtoidine C23H26N2O5 410.184171 NA MeJP NA NA +MJ057109 N-Carbomethoxy-17?-hydroxykopsinine; 14,15-Didehydro C23H26N2O5 410.184171 NA MeJP NA NA +MJ057110 Picraline C23H26N2O5 410.184171 NA MeJP NA NA +MJ057111 Pseudostrychnine; 10,11-Dimethoxy C23H26N2O5 410.184171 NA MeJP NA NA +MJ057112 Quinaprilat C23H26N2O5 410.184171 NA MeJP NA NA +MJ057113 Reserpiline; 19,20-Didehydro C23H26N2O5 410.184171 NA MeJP NA NA +MJ057114 Vomicine; 11-Methoxy C23H26N2O5 410.184171 NA MeJP NA NA +MJ057115 Vomicine; 19?,20?-Epoxide, Me ether C23H26N2O5 410.184171 NA MeJP NA NA +MJ057116 Ochropposine C23H27N2O5(+) 410.184171 NA MeJP NA NA +C11073 Benfuracarb C20H30N2O5S 410.1875 NA KEGG NA NA +MJ057117 6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione C22H28F2O5 410.19048 NA MeJP NA NA +C14479 Flumethasone C22H28F2O5 410.1905 NA KEGG NA NA +PJ001042 GPTH C17H26N6O6 410.1914 NA PeJP NA NA +MJ057118 1,4,6,9-Tetrahydroxy-11(13)-eudesmen-12,8-olide, 6-(Methylpropanoyl), 1-Ac C21H30O8 410.194067 NA MeJP NA NA +MJ057119 1,6,8-Trihydroxy-15-oxo-11(13)-eudesmen-12-oic acid, 8-(2-Hydroxymethyl-2-butenoyl)(Z-), Me ester C21H30O8 410.194067 NA MeJP NA NA +MJ057120 1-Hydroxy-4(15),11(13)-eudesmadien-12,6-olide, 1-O-?-D-Glucopyranoside C21H30O8 410.194067 NA MeJP NA NA +MJ057121 10-Hydroxy-3,11(13)-guaiadien-12,6-olide, 10-O-?-D-Glucopyranoside C21H30O8 410.194067 NA MeJP NA NA +MJ057122 10-Hydroxy-4(15),11(13)-guaiadien-12,6-olide, O-?-D-Glucopyranoside C21H30O8 410.194067 NA MeJP NA NA +MJ057123 15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-?-D-Glucopyranoside C21H30O8 410.194067 NA MeJP NA NA +MJ057124 2,3,4-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro, tri-Ac C21H30O8 410.194067 NA MeJP NA NA +MJ057125 2,3,4-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro, tri-Ac C21H30O8 410.194067 NA MeJP NA NA +MJ057126 3,10-Epoxy-1,3,8-trihydroxy-11(13)-germacren-12,6-olide, 8-(2-Methylpropanoyl), 1-Ac C21H30O8 410.194067 NA MeJP NA NA +MJ057127 3-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-?-D-Glucopyranoside C21H30O8 410.194067 NA MeJP NA NA +MJ057128 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, ?-D-glucopyranoside C21H30O8 410.194067 NA MeJP NA NA +MJ057129 6,8,15-Trihydroxy-1,3,11(13)-elematrien-12-oic acid, 8-(3,4-Dihydroxy-2-methylenebutanoyl), Me ester C21H30O8 410.194067 NA MeJP NA NA +MJ057130 8-(1-Hydroxypropyl)-2-(2-penten-4-ynyl)-3,5,6-oxocanetriol; 1'',3,5-Tri-Ac C21H30O8 410.194067 NA MeJP NA NA +MJ057131 8-(1-Hydroxypropyl)-2-(2-penten-4-ynyl)-3,5,6-oxocanetriol; 1'',3,6-Tri-Ac C21H30O8 410.194067 NA MeJP NA NA +MJ057132 8-Hydroxy-4(15),11(13),10(14)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-O-?-D-glucopyranoside C21H30O8 410.194067 NA MeJP NA NA +MJ057133 9-Hydroxy-4(15),10(14)-guaiadien-12,6-olide, 9-O-?-D-Glucopyranoside C21H30O8 410.194067 NA MeJP NA NA +MJ057134 Alternaric acid C21H30O8 410.194067 NA MeJP NA NA +MJ057135 Nootkatin; ?2'-Isomer, 4'-hydroxy, 2-O-?-D-glucopyranoside C21H30O8 410.194067 NA MeJP NA NA +MJ057136 Onitin; 4-O-?-D-Glucopyranoside C21H30O8 410.194067 NA MeJP NA NA +MJ057137 Onitin; 9-O-?-D-Allopyranoside C21H30O8 410.194067 NA MeJP NA NA +MJ057138 Onitin; 9-O-?-D-Glucopyranoside C21H30O8 410.194067 NA MeJP NA NA +MJ057139 Pentalenic acid; ?-D-Glucopyranosyl ester, 6-deoxy C21H30O8 410.194067 NA MeJP NA NA +MJ057140 Pterosin A, 4-O-?-D-Glucopyranoside C21H30O8 410.194067 NA MeJP NA NA +MJ057141 Pterosin D, 10-O-?-D-Glucopyranoside C21H30O8 410.194067 NA MeJP NA NA +MJ057142 Pterosin D, 4-O-?-D-Glucopyranoside C21H30O8 410.194067 NA MeJP NA NA +MJ057143 Pterosin Z; 14-Hydroxy, 4-O-D-glucopyranoside C21H30O8 410.194067 NA MeJP NA NA +MJ057144 Piperacetazine C24H30N2O2S 410.202798 NA MeJP NA NA +C09977 Vismione D C25H30O5 410.2093 NA KEGG NA NA +FL1D1CNI0001 2-Geranyl-3,4,2',4'-tetrahydroxydihydrochalcone C25H30O5 410.20932 118026-33-8 knapsack NA NA +FL1DAANI0001 4,2',4',6'-Tetrahydroxy-3,5-diprenyldihydrochalcone C25H30O5 410.20932 156788-65-7 knapsack NA NA +FL1DHXNI0001 Kanzonol Y;4,2',4',alpha-Tetrahydroxy-3,5'-diprenyldihydrochalcone C25H30O5 410.20932 184584-87-0 knapsack NA NA +FL1DQUNI0001 3',4',6'-Trihydroxy-2'-oxo-3',5'-diprenyldihydrochalcone C25H30O5 410.20932 - knapsack NA NA +MJ057145 1-(2,4-Dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)-1-propanone, 4'-O-(3,7-Dimethyl-2,6-octadienyl)(E-) C25H30O5 410.209324 NA MeJP NA NA +MJ057146 1-(2,4-Dihydroxyphenyl)-3-[2-(3,7-dimethyl-2,6-octadienyl)-3,4-dihydroxyphenyl]-1-propanone C25H30O5 410.209324 NA MeJP NA NA +MJ057147 10-(1-Ethenyl-1,5-dimethyl-4-hexenyl)-5-hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one; ?3'-Isomer, 5'-hydroxy, 5-Me ether C25H30O5 410.209324 NA MeJP NA NA +MJ057148 2,4-Dihydroxy-6-(2-phenylethyl)-3-prenylbenzoic acid; 4-O-(2-Methylbutanoyl) C25H30O5 410.209324 NA MeJP NA NA +MJ057149 2,4-Dihydroxy-6-(2-phenylethyl)-3-prenylbenzoic acid; 4-O-(3-Methylbutanoyl) C25H30O5 410.209324 NA MeJP NA NA +MJ057150 2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-(2,6-Dimethyl-2,6-octadienoyl)(E,E-) C25H30O5 410.209324 NA MeJP NA NA +MJ057151 3,4-Dihydro-3,6,8,9-tetrahydroxy-3-methyl-1(2H)-anthracenone, 6-O-(3,7-Dimethyl-2,6-octadienyl)(E-) C25H30O5 410.209324 NA MeJP NA NA +MJ057152 3-[4-Hydroxy-3,5-bis(3-methyl-2-butenyl)phenyl]-1-(2,4,6-trihydroxyphenyl)-1-propanone C25H30O5 410.209324 NA MeJP NA NA +MJ057153 4-Hydroxy-5-methyl-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-2H-1-benzopyran-2-one; 8'-Oxo, 9'-hydroxy C25H30O5 410.209324 NA MeJP NA NA +MJ057154 Andilesin A; 6'-De-hydroxy, 6',7'-didehydro C25H30O5 410.209324 NA MeJP NA NA +MJ057155 Anditomin C25H30O5 410.209324 NA MeJP NA NA +MJ057156 Antibiotic A 80915G C25H30O5 410.209324 NA MeJP NA NA +MJ057157 Cometin A C25H30O5 410.209324 NA MeJP NA NA +MJ057158 Cometin B C25H30O5 410.209324 NA MeJP NA NA +MJ057159 Cyclolycoserone C25H30O5 410.209324 NA MeJP NA NA +MJ057160 Gypothamniol C25H30O5 410.209324 NA MeJP NA NA +MJ057161 Heliocide H1 C25H30O5 410.209324 NA MeJP NA NA +MJ057162 Heliocide H2 C25H30O5 410.209324 NA MeJP NA NA +MJ057163 Heliocide H3 C25H30O5 410.209324 NA MeJP NA NA +MJ057164 Heliocide H4 C25H30O5 410.209324 NA MeJP NA NA +MJ057165 Hippospongin B C25H30O5 410.209324 NA MeJP NA NA +MJ057166 Ircinin 1 C25H30O5 410.209324 NA MeJP NA NA +MJ057167 Isolycoserone C25H30O5 410.209324 NA MeJP NA NA +MJ057168 Kanzonol Y C25H30O5 410.209324 NA MeJP NA NA +MJ057169 Lycoserone C25H30O5 410.209324 NA MeJP NA NA +MJ057170 Macrophyllol A C25H30O5 410.209324 NA MeJP NA NA +MJ057171 Macrophyllol B C25H30O5 410.209324 NA MeJP NA NA +MJ057172 Nic 12; 22,23-Dihydro, 22?-hydroxy C25H30O5 410.209324 NA MeJP NA NA +MJ057173 Spongionellin C25H30O5 410.209324 NA MeJP NA NA +MJ057174 Triptiliocoumarin; 5'-Epimer, 5'-hydroxy, 6'?,7'?-epoxide C25H30O5 410.209324 NA MeJP NA NA +MJ057175 Vismione F C25H30O5 410.209324 NA MeJP NA NA +MJ057176 Vismione L C25H30O5 410.209324 NA MeJP NA NA +3583 NA DFGLEKI 410.20995 MH2+ Inhouse_peptide NA peptide +HMDB05020 Risperidone C23H27FN4O2 410.21179 http://www.hmdb.ca/metabolites/HMDB05020 HMDB NA NA +HMDB05020 Risperidone C23H27FN4O2 410.21179 HMDB05020 PFEM_hmdb_metabocards_official NA NA +HMDB05020 Risperidone C23H27FN4O2 410.211792 NA HMDB2010 NA NA +MJ057177 Risperidone C23H27FN4O2 410.211804 NA MeJP NA NA +PJ001043 TKY C19H30N4O6 410.2165 NA PeJP NA NA +PJ001044 PPPT C19H30N4O6 410.2166 NA PeJP NA NA +MJ057178 Terciprazine C22H29F3N2O2 410.218112 NA MeJP NA NA +MJ057179 Ajmalinimine C24H30N2O4 410.220557 NA MeJP NA NA +MJ057180 Draquinolol C24H30N2O4 410.220557 NA MeJP NA NA +MJ057181 Heyneanine; 19-Epimer, 3-(2-Oxopropyl) C24H30N2O4 410.220557 NA MeJP NA NA +MJ057182 Hippospongin E C24H30N2O4 410.220557 NA MeJP NA NA +MJ057183 Polyneuridine; 19S,20-Dihydro, N1-Me, Ac C24H30N2O4 410.220557 NA MeJP NA NA +MJ057184 Pyrifoline; 6-Demethoxy C24H30N2O4 410.220557 NA MeJP NA NA +MJ057185 Retuline; 16-Epimer, 11-methoxy, O-Ac C24H30N2O4 410.220557 NA MeJP NA NA +MJ057186 Polyneuridine; 12-Methoxy, N1,N4-di-Me C24H31N2O4(+) 410.220557 NA MeJP NA NA +C14029 Trimipramine maleate C20H26N2 410.2206 NA KEGG NA NA +C14030 Transferred to D02248 C20H26N2 410.2206 NA KEGG NA NA +C14031 Transferred to D02249 C20H26N2 410.2206 NA KEGG NA NA +C14032 Transferred to D02250 C20H26N2 410.2206 NA KEGG NA NA +C14033 Transferred to D02251 C20H26N2 410.2206 NA KEGG NA NA +8068 synthetic peptide RHV 410.227 antioxidative Inhouse_peptide NA peptide +PJ001045 AALH C18H30N6O5 410.2278 NA PeJP NA NA +MJ057187 1,10,17-Trihydroxymelfusanolide; 17-Ac C22H34O7 410.230453 NA MeJP NA NA +MJ057188 10(20)-Grayanotoxene-3,5,6,12,14,16-hexol, 14-Ac C22H34O7 410.230453 NA MeJP NA NA +MJ057189 17-Acetoxy-1,6,7-trihydroxymelcantholide C22H34O7 410.230453 NA MeJP NA NA +MJ057190 2,3-Epoxy-5,6,10,14,16-grayanotoxanepentol, 14-Ac C22H34O7 410.230453 NA MeJP NA NA +MJ057191 2,3-Epoxy-5,6,10,14,16-grayanotoxanepentol, 6-Ac C22H34O7 410.230453 NA MeJP NA NA +MJ057192 2,3-Epoxy-5,6,7,10,16-grayanotoxanepentol, 7-Ac C22H34O7 410.230453 NA MeJP NA NA +MJ057193 3,5,6,10,14,16-Grayanotoxanehexol, 3-Ketone, 14-Ac C22H34O7 410.230453 NA MeJP NA NA +MJ057194 3-Hydroxy-1,6,10-phytatrien-9-one; O-(2-O-Acetyl-?-D-xylopyranoside) C22H34O7 410.230453 NA MeJP NA NA +MJ057195 6-(2,12-Dihydroxytridecyl)-2,4-dihydroxybenzoic acid, 12'-Deoxy, 13-hydroxy, 2'-Ac C22H34O7 410.230453 NA MeJP NA NA +MJ057196 6-(2,12-Dihydroxytridecyl)-2,4-dihydroxybenzoic acid, 2'-Ac C22H34O7 410.230453 NA MeJP NA NA +MJ057197 8,13-Epoxy-1,6,7,9-tetrahydroxy-14-labden-11-one, 7-Ac C22H34O7 410.230453 NA MeJP NA NA +MJ057198 8,13-Epoxy-1,6,7,9-tetrahydroxy-14-labden-11-one, 6-Ac C22H34O7 410.230453 NA MeJP NA NA +MJ057199 8,13-Epoxy-1,6,7,9-tetrahydroxy-14-labden-11-one, 7-Ac C22H34O7 410.230453 NA MeJP NA NA +MJ057200 Antibiotic FR 111142 C22H34O7 410.230453 NA MeJP NA NA +MJ057201 Javanicin Q; 12-Me ether, 16-epimer C22H34O7 410.230453 NA MeJP NA NA +MJ057202 Javanicin Z; 16-Alcohol (hemiacetal) C22H34O7 410.230453 NA MeJP NA NA +MJ057203 Javanicin Z; 2?,3-Dihydro C22H34O7 410.230453 NA MeJP NA NA +MJ057204 Nigakihemiacetal A C22H34O7 410.230453 NA MeJP NA NA +C08772 Nigakihemiacetal A C22H34O7 410.2305 NA KEGG NA NA +C09076 Coleonol C22H34O7 410.2305 NA KEGG NA NA +MJ057205 Kalihinol A; 10-Formamide C22H35ClN2O3 410.23362 NA MeJP NA NA +MJ057206 Buxpapamine C28H30N2O 410.235813 NA MeJP NA NA +PJ001046 VHR C17H30N8O4 410.239 NA PeJP NA NA +8308 ACE inhibitor VVPP 410.24 NA ;SYN:Homo-L-arginine; Homoarginine; L-Homoarginine; N6-(Aminoiminomethyl)-L-lysine; N6-amidino-L-Lysine; N6-amidino-LysineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +C04036 1-Palmitoylglycerol 3-phosphate C19H39O7P 410.2433 NA KEGG NA NA +MetaCyc03425 1-palmitoylglycerol 3-phosphate [] C19H39O7P1 410.24334 NA metacyc NA NA +HMDB07849 LPA(0:0/16:0) C19H39O7P 410.243347 NA HMDB2010 NA NA +HMDB07853 LPA(16:0/0:0) C19H39O7P 410.243347 NA HMDB2010 NA NA +HMDB00327 1-Palmitoyl lysophosphatidic acid C19H39O7P 410.24335 http://www.hmdb.ca/metabolites/HMDB00327 HMDB NA NA +HMDB00327 1-Palmitoyl lysophosphatidic acid C19H39O7P 410.24335 HMDB00327 PFEM_hmdb_metabocards_official NA NA +MJ057207 1-(2,4,6-Trihydroxyphenyl)-5,8,11,14,17-eicosapentaen-1-one C26H34O4 410.245709 NA MeJP NA NA +MJ057208 Kazinol F; 2'-Me ether C26H34O4 410.245709 NA MeJP NA NA +MJ057209 Strongylophorine 2 C26H34O4 410.245709 NA MeJP NA NA +MJ057210 Tridentoquinone C26H34O4 410.245709 NA MeJP NA NA +PJ001047 PPVV C20H34N4O5 410.2529 NA PeJP NA NA +MJ057211 Tilorone C25H34N2O3 410.256942 NA MeJP NA NA +C03641 Sterol 3-beta-D-glucoside C23H38O6 410.2668 NA KEGG NA NA +MJ057212 10-Aromadendranol, O-(2-O-Acetyl-?-D-fucopyranoside) C23H38O6 410.266838 NA MeJP NA NA +MJ057213 4-Eudesmen-11-ol, O-(2-O-Acetyl-?-D-fucopyranoside) C23H38O6 410.266838 NA MeJP NA NA +MJ057214 9,11,15-Trihydroxyprosta-5,13-dienoic acid, 11-Ac, Me ester C23H38O6 410.266838 NA MeJP NA NA +MJ057215 9,11,15-Trihydroxyprosta-5,13-dienoic acid, 9-Ac, Me ester C23H38O6 410.266838 NA MeJP NA NA +MJ057216 Australifungin; 3''-Alcohol C23H38O6 410.266838 NA MeJP NA NA +MJ057217 Betaenone D; 1''-Deoxy, 3'-Ac C23H38O6 410.266838 NA MeJP NA NA +MJ057218 Dihydrocompactin acid C23H38O6 410.266838 NA MeJP NA NA +MJ057219 Ornoprostil C23H38O6 410.266838 NA MeJP NA NA +MJ057220 Pregnane-3,12,14,17,20-pentol, 12-Ac C23H38O6 410.266838 NA MeJP NA NA +MJ057221 Protylonolide; 16-Hydroxy C23H38O6 410.266838 NA MeJP NA NA +MJ057222 Protylonolide; 19-Hydroxy C23H38O6 410.266838 NA MeJP NA NA +MJ057223 Protylonolide; 23-Hydroxy C23H38O6 410.266838 NA MeJP NA NA +MJ057224 2,2'-[4,7-Phenanthroline-3,8-diylbis(oxy)]bis[N,N-diethylethanamine] C24H34N4O2 410.268176 NA MeJP NA NA +MJ057225 Mapinastine C23H34N6O 410.279409 NA MeJP NA NA +MJ057226 18,22:22,25-Diepoxycholesta-1,4-dien-3-one C27H38O3 410.282095 NA MeJP NA NA +MJ057227 4,19-Epoxy-3-hydroxy-21-norergosta-7,16,24(28)-trien-20-one C27H38O3 410.282095 NA MeJP NA NA +MJ057228 4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid; (S)-4-Isopropyl-1-methylcyclohexen-4-yl ester C27H38O3 410.282095 NA MeJP NA NA +MJ057229 4-Hydroxy-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)benzoic acid C27H38O3 410.282095 NA MeJP NA NA +MJ057230 5,6-Epoxy-5,6-dihydro-10'-apo-?,?-carotene-3,10'-diol C27H38O3 410.282095 NA MeJP NA NA +MJ057231 5,8-Epoxy-5,8-dihydro-10'-apo-?,?-carotene-3,10'-diol C27H38O3 410.282095 NA MeJP NA NA +MJ057232 Azafrin; 10'-Aldehyde C27H38O3 410.282095 NA MeJP NA NA +MJ057233 Cabraleahydroxylactone; 1,2,22,23-Tetradehydro, 3-ketone C27H38O3 410.282095 NA MeJP NA NA +MJ057234 Cacospongin D C27H38O3 410.282095 NA MeJP NA NA +MJ057235 Jaspic acid C27H38O3 410.282095 NA MeJP NA NA +MJ057236 Meteogenin C27H38O3 410.282095 NA MeJP NA NA +MJ057237 Norethisterone; Heptanoyl C27H38O3 410.282095 NA MeJP NA NA +MJ057238 Sargadiol II C27H38O3 410.282095 NA MeJP NA NA +MJ057239 Sargaol; 6'-Hydroxy C27H38O3 410.282095 NA MeJP NA NA +MJ057240 Sargaquinone; 9'-Hydroxy C27H38O3 410.282095 NA MeJP NA NA +MJ057241 Sinensiaxanthin C27H38O3 410.282095 NA MeJP NA NA +MJ057242 ?-Tocotrienoloic acid, 13'-Aldehyde C27H38O3 410.282095 NA MeJP NA NA +MJ057243 ?-Tocotrienoloic acid, 3,4-Didehydro, 13'-alcohol C27H38O3 410.282095 NA MeJP NA NA +C14486 Norethindrone enanthate C27H38O3 410.2821 NA KEGG NA NA +MJ057244 Mycaperoxide A C24H42O5 410.303224 NA MeJP NA NA +MJ057245 Mycaperoxide B C24H42O5 410.303224 NA MeJP NA NA +MJ057246 Mycaperoxide C C24H42O5 410.303224 NA MeJP NA NA +MJ057247 Glutamine, N2-(9Z-Octadecenoyl) C23H42N2O4 410.314457 NA MeJP NA NA +MJ057248 3-Hydroxyergosta-5,8,22-trien-7-one C28H42O2 410.31848 NA MeJP NA NA +MJ057249 4,7,10,13,16,19,22,25-Octacosaoctaenoic acid, 25,26-Dihydro C28H42O2 410.31848 NA MeJP NA NA +MJ057250 6-Hydroxy-4,7,22-ergostatrien-3-one C28H42O2 410.31848 NA MeJP NA NA +MJ057251 8-Hydroxyergosta-4,6,22-trien-3-one C28H42O2 410.31848 NA MeJP NA NA +MJ057252 ?-Tocotrienol C28H42O2 410.31848 NA MeJP NA NA +MJ057253 Astrogorgiadiol; 24-Methyl, 22,23-didehydro(22E-), 9-ketone C28H42O2 410.31848 NA MeJP NA NA +MJ057254 Calicoferol F; 9-Ketone C28H42O2 410.31848 NA MeJP NA NA +MJ057255 Ergosta-7,22-diene-3,6-diol, 3,6-Diketone C28H42O2 410.31848 NA MeJP NA NA +MJ057256 Solanoquinone C28H42O2 410.31848 NA MeJP NA NA +C14154 beta-Tocotrienol C28H42O2 410.3185 NA KEGG NA NA +C14155 gamma-Tocotrienol C28H42O2 410.3185 NA KEGG NA NA +MJ057257 Solanocastrine C27H42N2O 410.329713 NA MeJP NA NA +HMDB11553 MG(0:0/22:2(13Z,16Z)/0:0) C25H46O4 410.3396 NA HMDB2010 NA NA +HMDB11583 MG(22:2(13Z,16Z)/0:0/0:0) C25H46O4 410.3396 NA HMDB2010 NA NA +HMDB01023 4,4-Dimethylcholesta-8,14,24-trienol C29H46O 410.354858 NA HMDB2010 NA NA +HMDB06852 5-Dehydroavenasterol C29H46O 410.354858 NA HMDB2010 NA NA +HMDB06928 Delta 8,14 -Sterol C29H46O 410.354858 NA HMDB2010 NA NA +HMDB01023 4,4-Dimethylcholesta-8,14,24-trienol C29H46O 410.35486 http://www.hmdb.ca/metabolites/HMDB01023 HMDB NA NA +HMDB06844 delta8,14 -Sterol C29H46O 410.35486 http://www.hmdb.ca/metabolites/HMDB06844 HMDB NA NA +HMDB06852 5-Dehydroavenasterol C29H46O 410.35486 http://www.hmdb.ca/metabolites/HMDB06852 HMDB NA NA +HMDB06924 4,4-dimethyl-cholesta-8,12,24-trienol C29H46O 410.35486 http://www.hmdb.ca/metabolites/HMDB06924 HMDB NA NA +HMDB06928 delta 8,14 -Sterol C29H46O 410.35486 http://www.hmdb.ca/metabolites/HMDB06928 HMDB NA NA +HMDB01023 4,4-Dimethylcholesta-8,14,24-trienol C29H46O 410.35486 HMDB01023 PFEM_hmdb_metabocards_official NA NA +HMDB06844 delta8,14 -Sterol C29H46O 410.35486 HMDB06844 PFEM_hmdb_metabocards_official NA NA +HMDB06852 5-Dehydroavenasterol C29H46O 410.35486 HMDB06852 PFEM_hmdb_metabocards_official NA NA +HMDB06924 4,4-dimethyl-cholesta-8,12,24-trienol C29H46O 410.35486 HMDB06924 PFEM_hmdb_metabocards_official NA NA +HMDB06928 delta 8,14 -Sterol C29H46O 410.35486 HMDB06928 PFEM_hmdb_metabocards_official NA NA +MJ057258 14-Methyl-9,19-cycloergost-24(28)-en-3-one C29H46O 410.354866 NA MeJP NA NA +MJ057259 14-Methyl-9,19-cycloergost-25-en-3-ol, 3-Ketone C29H46O 410.354866 NA MeJP NA NA +MJ057260 23-Methylergosta-5,7,22-trien-3-ol C29H46O 410.354866 NA MeJP NA NA +MJ057261 25-Methylergosta-5,7,22-trien-3-ol C29H46O 410.354866 NA MeJP NA NA +MJ057262 26-Methylergosta-4,24(28)-dien-3-one C29H46O 410.354866 NA MeJP NA NA +MJ057263 26-Nor-14-friedelen-3-ol, 3-Ketone C29H46O 410.354866 NA MeJP NA NA +MJ057264 28-Nor-12-oleanen-3-ol, 3-Ketone C29H46O 410.354866 NA MeJP NA NA +MJ057265 28-Nor-20(29)-lupen-3-one C29H46O 410.354866 NA MeJP NA NA +MJ057266 29-Norcycloarta-3,24-dien-23-one; 24,25-Dihydro C29H46O 410.354866 NA MeJP NA NA +MJ057267 30-Nor-20(29)-friedelen-3-one C29H46O 410.354866 NA MeJP NA NA +MJ057268 4,14-Dimethyl-9,19-cyclocholest-20-en-3-one C29H46O 410.354866 NA MeJP NA NA +MJ057269 4,4-Dimethylcholesta-8,14,24-trien-3-ol C29H46O 410.354866 NA MeJP NA NA +MJ057270 4-Methylergosta-8,14,24(28)-trien-3-ol C29H46O 410.354866 NA MeJP NA NA +MJ057271 Calysterol C29H46O 410.354866 NA MeJP NA NA +MJ057272 Conicasterol; 3-Ketone C29H46O 410.354866 NA MeJP NA NA +MJ057273 Cyclonervilasterol C29H46O 410.354866 NA MeJP NA NA +MJ057274 Isocalysterol C29H46O 410.354866 NA MeJP NA NA +MJ057275 Stigmasta-3,5-dien-7-one C29H46O 410.354866 NA MeJP NA NA +MJ057276 Stigmasta-4,22-dien-3-one C29H46O 410.354866 NA MeJP NA NA +MJ057277 Stigmasta-4,23-dien-3-one C29H46O 410.354866 NA MeJP NA NA +MJ057278 Stigmasta-4,24(28)-dien-3-one; 24(28)E-form C29H46O 410.354866 NA MeJP NA NA +MJ057279 Stigmasta-4,24-dien-3-one C29H46O 410.354866 NA MeJP NA NA +MJ057280 Stigmasta-4,6-dien-3-one C29H46O 410.354866 NA MeJP NA NA +MJ057281 Stigmasta-5,22,25-trien-3-ol C29H46O 410.354866 NA MeJP NA NA +MJ057282 Stigmasta-5,24(28),28-trien-3-ol C29H46O 410.354866 NA MeJP NA NA +MJ057283 Stigmasta-5,7,22-trien-3-ol C29H46O 410.354866 NA MeJP NA NA +MJ057284 Stigmasta-5,7,24(28)-trien-3-ol C29H46O 410.354866 NA MeJP NA NA +MJ057285 Stigmasta-7,16,25-trien-3-ol C29H46O 410.354866 NA MeJP NA NA +MJ057286 Stigmasta-7,22,25-trien-3-ol C29H46O 410.354866 NA MeJP NA NA +MJ057287 Stigmasta-7,22-dien-3-one C29H46O 410.354866 NA MeJP NA NA +MJ057288 Stigmasta-8(14),15,24(28)-trien-3-ol C29H46O 410.354866 NA MeJP NA NA +MJ057289 Stigmasta-8,14,24(28)-trien-3-ol C29H46O 410.354866 NA MeJP NA NA +MetaCyc03426 4,4-dimethyl-5-α-cholesta-8,14,24-trien-3-β-ol [4,4-dimethyl-cholesta-8,12,24-trienol;17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7, 10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol;] C29H46O1 410.354866 NA metacyc NA NA +MetaCyc03427 (4α)-methyl-(5α)-ergosta-8,14,24(28)-trien-3β-ol [] C29H46O1 410.354866 NA metacyc NA NA +MetaCyc03428 5-dehydroavenasterol [] C29H46O1 410.354866 NA metacyc NA NA +C11455 4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol C29H46O 410.3549 NA KEGG NA NA +C11508 4alpha-Methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol C29H46O 410.3549 NA KEGG NA NA +C15783 5-Dehydroavenasterol C29H46O 410.3549 NA KEGG NA NA +MJ057290 11-Hydroxy-21-hexacosenoic acid C26H50O3 410.375995 NA MeJP NA NA +MJ057291 14-Oxotetracosanoic acid; Et ester C26H50O3 410.375995 NA MeJP NA NA +MJ057292 9-Hydroxy-21-hexacosenoic acid C26H50O3 410.375995 NA MeJP NA NA +HMDB00256 Squalene C30H50 410.39124 http://www.hmdb.ca/metabolites/HMDB00256 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00256 Squalene C30H50 410.39124 http://www.hmdb.ca/metabolites/HMDB00256 HMDB NA NA +HMDB06837 Hopanoid C30H50 410.39124 http://www.hmdb.ca/metabolites/HMDB06837 HMDB NA NA +HMDB00256 Squalene C30H50 410.39124 http://www.hmdb.ca/metabolites/HMDB00256 PFEM_hmdb_metabocards_blood NA blood +HMDB00256 Squalene C30H50 410.39124 HMDB00256 PFEM_hmdb_metabocards_official NA NA +HMDB06837 Hopanoid C30H50 410.39124 HMDB06837 PFEM_hmdb_metabocards_official NA NA +MJ057293 1(10)-Adianene C30H50 410.391251 NA MeJP NA NA +MJ057294 12,21-Baccharadiene C30H50 410.391251 NA MeJP NA NA +MJ057295 12-Neohopene C30H50 410.391251 NA MeJP NA NA +MJ057296 12-Oleanene C30H50 410.391251 NA MeJP NA NA +MJ057297 12-Ursene C30H50 410.391251 NA MeJP NA NA +MJ057298 13(18)-Neohopene C30H50 410.391251 NA MeJP NA NA +MJ057299 13(18)-Oleanene C30H50 410.391251 NA MeJP NA NA +MJ057300 14(27),17,21-Malabaricatriene; 13?H-form C30H50 410.391251 NA MeJP NA NA +MJ057301 14(27),17,21-Malabaricatriene; 13à H-form C30H50 410.391251 NA MeJP NA NA +MJ057302 14-Serratene C30H50 410.391251 NA MeJP NA NA +MJ057303 14-Taraxerene C30H50 410.391251 NA MeJP NA NA +MJ057304 16-Hopene C30H50 410.391251 NA MeJP NA NA +MJ057305 17(21)-Hopene C30H50 410.391251 NA MeJP NA NA +MJ057306 18-Oleanene C30H50 410.391251 NA MeJP NA NA +MJ057307 2-Friedelene C30H50 410.391251 NA MeJP NA NA +MJ057308 20(29)-Lupene C30H50 410.391251 NA MeJP NA NA +MJ057309 20-Taraxastene C30H50 410.391251 NA MeJP NA NA +MJ057310 21-Hopene C30H50 410.391251 NA MeJP NA NA +MJ057311 22(29)-Hopene; 21?H-form C30H50 410.391251 NA MeJP NA NA +MJ057312 22(29)-Hopene; 21à H-form C30H50 410.391251 NA MeJP NA NA +MJ057313 3,21-Shionadiene C30H50 410.391251 NA MeJP NA NA +MJ057314 3-Filicene C30H50 410.391251 NA MeJP NA NA +MJ057315 3-Friedelene C30H50 410.391251 NA MeJP NA NA +MJ057316 4(23)-Filicene C30H50 410.391251 NA MeJP NA NA +MJ057317 5-Adianene C30H50 410.391251 NA MeJP NA NA +MJ057318 7,13,17,21-Polypodatetraene C30H50 410.391251 NA MeJP NA NA +MJ057319 7,17,21-Podiodatriene C30H50 410.391251 NA MeJP NA NA +MJ057320 7,21-Lemmaphylladiene C30H50 410.391251 NA MeJP NA NA +MJ057321 7-Fernene C30H50 410.391251 NA MeJP NA NA +MJ057322 7-Multiflorene C30H50 410.391251 NA MeJP NA NA +MJ057323 8(26),14(27)-Onoceradiene C30H50 410.391251 NA MeJP NA NA +MJ057324 8-Fernene C30H50 410.391251 NA MeJP NA NA +MJ057325 8-Multiflorene C30H50 410.391251 NA MeJP NA NA +MJ057326 9(11)-Fernene C30H50 410.391251 NA MeJP NA NA +MJ057327 9(11)-Multiflorene C30H50 410.391251 NA MeJP NA NA +MJ057328 Adiantutirucallene A C30H50 410.391251 NA MeJP NA NA +MJ057329 Aonena-3,24-diene C30H50 410.391251 NA MeJP NA NA +MJ057330 C30 Botryococcene C30H50 410.391251 NA MeJP NA NA +MJ057331 Dammara-13(17),24-diene C30H50 410.391251 NA MeJP NA NA +MJ057332 Dammara-17(20),24-diene; 17(20)E-form C30H50 410.391251 NA MeJP NA NA +MJ057333 Dammara-17(20),24-diene; 17(20)Z-form C30H50 410.391251 NA MeJP NA NA +MJ057334 Dammara-20,24-diene C30H50 410.391251 NA MeJP NA NA +MJ057335 Eupha-7,24-diene C30H50 410.391251 NA MeJP NA NA +MJ057336 Preoleanatetraene C30H50 410.391251 NA MeJP NA NA +MJ057337 Squalene C30H50 410.391251 NA MeJP NA NA +MetaCyc03429 squalene [] C30H50 410.391252 111-02-4 metacyc NA NA +MetaCyc03430 hop-22(29)-ene [] C30H50 410.391252 NA metacyc NA NA +HMDB00256 Squalene C30H50 410.391266 NA HMDB2010 NA NA +C00751 Squalene C30H50 410.3913 NA KEGG NA NA +C00752 Thrombin C30H50 410.3913 NA KEGG NA NA +C06310 Diploptene C30H50 410.3913 NA KEGG NA NA +C08625 Fernene C30H50 410.3913 NA KEGG NA NA +HMDB02063 Heptacosanoic acid C27H54O2 410.41238 http://www.hmdb.ca/metabolites/HMDB02063 HMDB NA NA +MJ057338 24-Methylhexacosanoic acid C27H54O2 410.41238 NA MeJP NA NA +MJ057339 25-Methylhexacosanoic acid C27H54O2 410.41238 NA MeJP NA NA +MJ057340 4,6-Heptacosanedione; 4-Alcohol C27H54O2 410.41238 NA MeJP NA NA +MJ057341 6,8-Heptacosanedione; 6-Alcohol C27H54O2 410.41238 NA MeJP NA NA +MJ057342 Heptacosanoic acid C27H54O2 410.41238 NA MeJP NA NA +HMDB02063 Heptacosanoic acid C27H54O2 410.41238 HMDB02063 PFEM_hmdb_metabocards_official NA NA +HMDB02063 Heptacosanoic acid C27H54O2 410.412384 NA HMDB2010 NA NA +MJ057343 1-Methoxy-2,12-dimethylpentacosane C28H58O 410.448766 NA MeJP NA NA +MJ057344 1-Methoxy-2,14-dimethylpentacosane C28H58O 410.448766 NA MeJP NA NA +MJ057345 1-Methoxy-2,22-dimethylpentacosane C28H58O 410.448766 NA MeJP NA NA +MJ057346 1-Methoxy-24-methylhexacosane C28H58O 410.448766 NA MeJP NA NA +MJ057347 1-Octacosanol C28H58O 410.448766 NA MeJP NA NA +MJ057348 10-Octacosanol C28H58O 410.448766 NA MeJP NA NA +MJ057349 14-Octacosanol C28H58O 410.448766 NA MeJP NA NA +C08387 Octacosan-1-ol C28H58O 410.4488 NA KEGG NA NA +MJ057350 Pyrrolomycin F; Pyrrolomycin F3 C11H5Br2Cl2NO2 410.806409 NA MeJP NA NA +MJ057351 Discorhabdin A; 4,5,16,17-Tetradehydro C18H10BrN3O2S 410.967709 NA MeJP NA NA +MJ057352 Aplysinketal A C13H19Br2NO4 410.968083 NA MeJP NA NA +MJ057353 Iomazenil C15H14IN3O3 411.007984 NA MeJP NA NA +MJ057354 2-[(4-Chlorophenoxy)methyl]-7a-(3,4-dichlorophenyl)tetrahydropyrrolo[2,1-b]oxazol-5(6H)-one C19H16Cl3NO3 411.019576 NA MeJP NA NA +C10837 Turgorin C13H15O13S 411.0233 NA KEGG NA NA +HMDB01508 dADP C10H15N5O9P2 411.03448 http://www.hmdb.ca/metabolites/HMDB01508 HMDB NA NA +HMDB01508 dADP C10H15N5O9P2 411.03448 HMDB01508 PFEM_hmdb_metabocards_official NA NA +HMDB01508 dADP C10H15N5O9P2 411.034485 NA HMDB2010 NA NA +C00206 dADP C10H15N5O9P2 411.0345 NA KEGG NA NA +MJ057355 dADP C10H15N5O9P2 411.0345 NA MeJP NA NA +MetaCyc03431 dADP [deoxyadenosine-diphosphate;2'-deoxyadenosine-5'-diphosphate;] C10H15N5O9P2 411.0345 06/08/2793 metacyc NA NA +C11094 Carfentrazone-ethyl C15H14Cl2F3N3O3 411.0364 NA KEGG NA NA +MJ057356 Lintitript C20H14ClN3O3S 411.044439 NA MeJP NA NA +MJ057357 Heteronium(1+); Bromide C18H22BrNO3S 411.050376 NA MeJP NA NA +C16855 Gonyautoxin 1 C10H17N7O9S 411.0808 NA KEGG NA NA +MJ057358 Oxitropium(1+); Bromide C19H26BrNO4 411.10452 NA MeJP NA NA +MJ057359 Pancratistatin, 1-O-(3-Hydroxybutanoyl) C18H21NO10 411.116545 NA MeJP NA NA +PJ001048 DDY C17H21N3O9 411.1278 NA PeJP NA NA +MJ057360 Oxo[[2,2'-(1,3-propanediyldiimino)bis[2-methyl-3-pentanone]dioximato](3-)-N,N',N'',N''']technetium C15H29N4O3Tc 411.131181 NA MeJP NA NA +MJ057361 Antibiotic FD 838 C22H21NO7 411.131802 NA MeJP NA NA +MJ057362 Cetocycline C22H21NO7 411.131802 NA MeJP NA NA +MJ057363 Corynoline, 5?-Formyloxy C22H21NO7 411.131802 NA MeJP NA NA +PJ001049 MMM C15H29N3O4S3 411.132 NA PeJP NA NA +MetaCyc03432 hyaluronate [hyaluronic acid;β-N-acetyl-D-glucosaminyl (1,4)β-D-glucuronosyl (1,3) ]n;] C15H25N1O12 411.137675 9004-61-9 metacyc NA NA +MJ057364 1-Cyclopropyl-8-(difluoromethoxy)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid C19H20F3N3O4 411.14059 NA MeJP NA NA +MJ057365 Hexopyrronium(1+); Bromide C20H30BrNO3 411.140906 NA MeJP NA NA +MJ057366 Ipratropium(1+), Bromide C20H30BrNO3 411.140906 NA MeJP NA NA +MJ057367 Altanserin C22H22FN3O2S 411.141675 NA MeJP NA NA +C11734 Altanserin C22H22FN3O2S 411.1417 NA KEGG NA NA +PJ001050 DMF C18H25N3O6S 411.1464 NA PeJP NA NA +MJ057368 Karnamicin A3 C18H25N3O6S 411.146406 NA MeJP NA NA +CJneg0597 Cinnamoylglycine [(2M-H)]- (13C) C2113CH21N2O6 411.151725 C18rt(min)=7.03 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0597 Cinnamoylglycine [(2M-H)]- (13C) C2113CH21N2O6 411.151725 C18rt(min)=7.03 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +MJ057369 N-[2-(Mercaptomethyl)-3-(2-methylphenyl)-1-oxopropyl]methionine, S-Ac; Et ester C20H29NO4S2 411.153799 NA MeJP NA NA +MJ057370 Coelenteramide C25H21N3O3 411.158291 NA MeJP NA NA +MetaCyc03433 oxidized oplophorus luciferin [] C25H21N3O3 411.158292 NA metacyc NA NA +MetaCyc03434 oxidized renilla luciferin [] C25H21N3O3 411.158292 NA metacyc NA NA +C15038 Oxidized Oplophorus luciferin C25H21N3O3 411.1583 NA KEGG NA NA +MJ057371 Antibiotic FR 900452 C22H25N3O3S 411.161662 NA MeJP NA NA +C15665 Ro 18-5364 C22H25N3O3S 411.1617 NA KEGG NA NA +PJ001051 TEY C18H25N3O8 411.1642 NA PeJP NA NA +MJ057372 7-Formyldehydrothalicsimidine C23H25NO6 411.168187 NA MeJP NA NA +MJ057373 Fumarophycine; Me ether C23H25NO6 411.168187 NA MeJP NA NA +MJ057374 Isotylocrebrine, 14?-Hydroxy, 3-O-de-Me, N-oxide C23H25NO6 411.168187 NA MeJP NA NA +MJ057375 Sultroponium C20H29NO6S 411.171558 NA MeJP NA NA +MJ057376 Arginylthreonine, N2-(2,3-Dihydroxybenzoyl) C17H25N5O7 411.175398 NA MeJP NA NA +MJ057377 Cyclotryprostatin A C22H25N3O5 411.17942 NA MeJP NA NA +MJ057378 Fumitremorgin C; Natural-form, 12,13-Dihydroxy C22H25N3O5 411.17942 NA MeJP NA NA +MJ057379 Tasosartan C23H21N7O 411.180758 NA MeJP NA NA +MJ057380 6-(1-Hydroxyethyl)-3-[[5-(hydroxy-3-pyrrolidinylmethyl)-3-pyrrolidinyl]thio]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid C19H29N3O5S 411.182791 NA MeJP NA NA +PJ001052 VMY C19H29N3O5S 411.1828 NA PeJP NA NA +MJ057381 Fluvastatin C24H26FNO4 411.184586 NA MeJP NA NA +C07014 Fluvastatin C24H26FNO4 411.1846 NA KEGG NA NA +PJ001053 QQH C16H25N7O6 411.1866 NA PeJP NA NA +PJ001054 GAQH C16H25N7O6 411.1867 NA PeJP NA NA +7629 ACE inhibitor from k-CN (fr, 12-17) EKDERF 411.18695 MH2+ Inhouse_peptide NA peptide +MJ057382 Jacoline; O12-Ac C20H29NO8 411.189316 NA MeJP NA NA +MJ057383 Retronecine 9-(2,3-dihydroxy-2-hydroxymethylbutanoate) 7-senecioate; 1'''-Deoxy, O3''-Ac, N-oxide C20H29NO8 411.189316 NA MeJP NA NA +MJ057384 Piroxantrone C21H25N5O4 411.190654 NA MeJP NA NA +MJ057385 Teloxantrone C21H25N5O4 411.190654 NA MeJP NA NA +MJ057386 Dobupride C20H30ClN3O4 411.192484 NA MeJP NA NA +C06807 Acetophenazine C23H29N3O2S 411.198 NA KEGG NA NA +MJ057387 Acetophenazine C23H29N3O2S 411.198047 NA MeJP NA NA +MJ057388 13a-Hydroxysepticine C24H29NO5 411.204573 NA MeJP NA NA +MJ057389 2-Ethyl-4-[[2'-(1H-tetrazol-5-yl)[1,1-biphenyl]-4-yl]methoxy]quinoline; 5,6,7,8-Tetrahydro C25H25N5O 411.20591 NA MeJP NA NA +7496 ACE inhibitor (from bovine as1-CN) FPEVFGK 411.2065 MH2+ Inhouse_peptide NA peptide +PJ001055 APPQ C18H29N5O6 411.2118 NA PeJP NA NA +PJ001056 VFF C23H29N3O4 411.2158 NA PeJP NA NA +PJ001057 QKH C17H29N7O5 411.223 NA PeJP NA NA +C10341 Lasiocarpine C21H33NO7 411.2257 NA KEGG NA NA +MJ057390 Lasiocarpine C21H33NO7 411.225702 NA MeJP NA NA +EUR811 Lyso PE 14:0 [M-H-CH3]- C19H40NO7P 411.238592 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR811 Lyso PE 14:0 [M-H-CH3]- C19H40NO7P 411.238592 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR811 Lyso PE 14:0 [M-H-CH3]- C19H40NO7P 411.238592 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR811 Lyso PE 14:0 [M-H-CH3]- C19H40NO7P 411.238592 masses lipides attendues Inhousejuil11 NA NA +MJ057391 Anopterimine; N-Oxide C25H33NO4 411.240958 NA MeJP NA NA +MJ057392 Etorphine C25H33NO4 411.240958 NA MeJP NA NA +C11793 Etorphine C25H33NO4 411.241 NA KEGG NA NA +PJ001058 APPK C19H33N5O5 411.2482 NA PeJP NA NA +PJ001059 KKH C18H33N7O4 411.2594 NA PeJP NA NA +MJ057393 Antibiotic Sch 382582; De(methylthio) C21H37N3O5 411.273321 NA MeJP NA NA +MJ057394 Brachystamide B C26H37NO3 411.277344 NA MeJP NA NA +MJ057395 Fesoterodine C26H37NO3 411.277344 NA MeJP NA NA +MJ057396 Octibenzonium(1+) C26H38NO3(+) 411.277344 NA MeJP NA NA +HMDB13335 3-Hydroxyhexadecadienoylcarnitine C23H41NO5 411.298462 NA HMDB2010 NA NA +C10798 Cyclopamine C27H41NO2 411.3137 NA KEGG NA NA +MJ057397 Ebeinone C27H41NO2 411.313729 NA MeJP NA NA +MJ057398 Edpetisine C27H41NO2 411.313729 NA MeJP NA NA +MJ057399 Homobuxaquamarine C27H41NO2 411.313729 NA MeJP NA NA +MJ057400 Jervine; 11-Deoxo C27H41NO2 411.313729 NA MeJP NA NA +MJ057401 Korseverine C27H41NO2 411.313729 NA MeJP NA NA +MJ057402 Solasodenone C27H41NO2 411.313729 NA MeJP NA NA +MJ057403 Tomatillidine C27H41NO2 411.313729 NA MeJP NA NA +MJ057404 Veralobine C27H41NO2 411.313729 NA MeJP NA NA +MJ057405 Veramine C27H41NO2 411.313729 NA MeJP NA NA +MJ057406 15-Azasterol C28H45NO 411.350115 NA MeJP NA NA +HMDB06351 Vaccenyl carnitine C25H49NO3 411.37125 http://www.hmdb.ca/metabolites/HMDB06351 HMDB NA NA +HMDB06351 Vaccenyl carnitine C25H49NO3 411.37125 HMDB06351 PFEM_hmdb_metabocards_official NA NA +3737 NA YPFGFHG 411.6755 MH2+ Inhouse_peptide NA peptide +3105 fragment of anafylatoxin C3a:70-77 ASHLGLAR 411.727 MH2+ Inhouse_peptide NA peptide +3812 smooth muscles contracting peptide ASHLGLAR 411.727 MH2+ Inhouse_peptide NA peptide +MJ057407 Iodofenphos C8H8Cl2IO3PS 411.83535 NA MeJP NA NA +MJ057408 2,10-Dibromo-3-chloro-7(14)-chamigren-9-ol C15H23Br2ClO 411.980418 NA MeJP NA NA +MJ057409 2,10-Dibromo-3-chloro-7-chamigren-9-ol C15H23Br2ClO 411.980418 NA MeJP NA NA +MJ057410 2,10-Dibromo-3-chloro-7-chamigrene; ?7(14)-Isomer, 8?-Hydroxy C15H23Br2ClO 411.980418 NA MeJP NA NA +MJ057411 3,10-Dibromo-2-chloro-7(14)-chamigren-9-ol C15H23Br2ClO 411.980418 NA MeJP NA NA +MJ057412 4,10-Dibromo-3-chloro-7,8-epoxychamigrane C15H23Br2ClO 411.980418 NA MeJP NA NA +MJ057413 Laucapyranoid A C15H23Br2ClO 411.980418 NA MeJP NA NA +MJ057414 Perforenol C15H23Br2ClO 411.980418 NA MeJP NA NA +MJ057415 Spiroxin D; 1-Ketone, 7-chloro, 8'-hydroxy C20H9ClO8 411.998594 NA MeJP NA NA +FL5FECNSS001 Quercetagetin 3-methyl ether 7-O-sulfate C16H12O11S 412.01003 76060-27-0 knapsack NA NA +FL5FECNSS002 Patuletin 3-O-sulfate C16H12O11S 412.01003 74545-44-1 knapsack NA NA +FL5FECNSS003 Patuletin 7-O-sulfate C16H12O11S 412.01003 33429-81-1 knapsack NA NA +MJ057416 3',4',5,6,7-Pentahydroxy-3-methoxyflavone; 7-O-Sulfate C16H12O11S 412.010031 NA MeJP NA NA +MJ057417 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-Sulfate C16H12O11S 412.010031 NA MeJP NA NA +MJ057418 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 7-O-Sulfate C16H12O11S 412.010031 NA MeJP NA NA +MJ057419 Norgangaleoidin; 8-Me ether C18H14Cl2O7 412.011658 NA MeJP NA NA +MJ057420 Norisonotatic acid; 2,4-Dichloro, Me ester C18H14Cl2O7 412.011658 NA MeJP NA NA +C01344 dIDP C10H14N4O10P2 412.0185 NA KEGG NA NA +MJ057421 dIDP C10H14N4O10P2 412.018515 NA MeJP NA NA +HMDB03536 dIDP C10H14N4O10P2 412.01852 http://www.hmdb.ca/metabolites/HMDB03536 HMDB NA NA +HMDB03536 dIDP C10H14N4O10P2 412.01852 HMDB03536 PFEM_hmdb_metabocards_official NA NA +HMDB03536 dIDP C10H14N4O10P2 412.018524 NA HMDB2010 NA NA +MJ057422 Phomalirazine C17H20N2O6S2 412.076277 NA MeJP NA NA +MJ057423 Arthraxin C21H16O9 412.079432 NA MeJP NA NA +MJ057424 Mitorubrinic acid C21H16O9 412.079432 NA MeJP NA NA +MJ057425 Homosulphasalazine C19H16N4O5S 412.08414 NA MeJP NA NA +MJ057426 1-Ethyl-4-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole C19H16F4N2O2S 412.086861 NA MeJP NA NA +MJ057427 Gelliusine D C20H21BrN4O 412.089873 NA MeJP NA NA +MJ057428 Gelliusine E C20H21BrN4O 412.089873 NA MeJP NA NA +MJ057429 Kinamycin F; 2-Ac C20H16N2O8 412.090665 NA MeJP NA NA +MJ057430 Kinamycin F; 3-Ac C20H16N2O8 412.090665 NA MeJP NA NA +MJ057431 Kinamycin F; 4-Ac C20H16N2O8 412.090665 NA MeJP NA NA +PJ001060 GCCM C13H24N4O5S3 412.0909 NA PeJP NA NA +MJ057432 2-Acetyl-3-methyl-1,8-naphthalenediol; 4-Chloro, 8-O-?-D-glucopyranoside C19H21ClO8 412.092495 NA MeJP NA NA +MJ057433 Botryllazine A C24H16N2O5 412.105921 NA MeJP NA NA +PJ001061 STCC C13H24N4O7S2 412.1087 NA PeJP NA NA +MJ057434 Ziprasidone C21H21ClN4OS 412.112459 NA MeJP NA NA +C07568 Ziprasidone C21H21ClN4OS 412.1125 NA KEGG NA NA +C10875 Podophyllotoxone C22H20O8 412.1158 NA KEGG NA NA +C12424 Aklavinone C22H20O8 412.1158 NA KEGG NA NA +FL5FG9NI0001 (2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid C22H20O8 412.11581 221231-21-6 knapsack NA NA +FL631CNC0002 4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol C22H20O8 412.11581 126655-04-7 knapsack NA NA +MJ057435 1,8-Dihydroxy-3-(methoxycarbonylmethyl)-2-(3-oxopentyl)anthraquinone; 4-Hydroxy C22H20O8 412.115817 NA MeJP NA NA +MJ057436 3',4',5'-Trimethoxy-4,5-methylenedioxy-7-oxo-2,7'-cyclolignan-9',9-olide C22H20O8 412.115817 NA MeJP NA NA +MJ057437 3,3',4',7-Tetrahydroxy-4-(2,3,4-trihydroxyphenyl)flavan, 3''-Me ether C22H20O8 412.115817 NA MeJP NA NA +MJ057438 3,4:3',4'-Bis(methylenedioxy)lignan-9,9'-olide, 7S-Acetoxy C22H20O8 412.115817 NA MeJP NA NA +MJ057439 3,5,6,7,8-Pentahydroxyflavone; 3,6-Di-Me ether, 8-tigloyl C22H20O8 412.115817 NA MeJP NA NA +MJ057440 Aklavinone C22H20O8 412.115817 NA MeJP NA NA +MJ057441 Austocystin B; 3a-Hydroxy C22H20O8 412.115817 NA MeJP NA NA +MJ057442 Dehydroheliobuphthalmin C22H20O8 412.115817 NA MeJP NA NA +MJ057443 Feudomycin B; Aglycone C22H20O8 412.115817 NA MeJP NA NA +MJ057444 Mollicellin C C22H20O8 412.115817 NA MeJP NA NA +MJ057445 Peperomin E C22H20O8 412.115817 NA MeJP NA NA +MJ057446 Rubiginone D2; 7?-Alcohol, 6a,12a-epoxide, 4-Ac C22H20O8 412.115817 NA MeJP NA NA +MJ057447 Rubiginone H C22H20O8 412.115817 NA MeJP NA NA +MJ057448 Thuriferic acid C22H20O8 412.115817 NA MeJP NA NA +MJ057449 ?-Pyrromycinone; 4-Deoxy C22H20O8 412.115817 NA MeJP NA NA +MJ057450 ?-Rhodomycinone; 10-Deoxy C22H20O8 412.115817 NA MeJP NA NA +MJ057451 Dichlorisone C21H26Cl2O4 412.120814 NA MeJP NA NA +MJ057452 15-Bromo-9(11)-parguerene-2,7,16,19-tetrol, 2-Ketone C20H29BrO4 412.124922 NA MeJP NA NA +MJ057453 14-Chloro-2,5,8,10-tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 8-Angeloyl C20H25ClO7 412.12888 NA MeJP NA NA +MJ057454 15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2-Hydroxymethyl-2E-butenoyl) C20H25ClO7 412.12888 NA MeJP NA NA +MJ057455 15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(4-Hydroxy-2-methyl-2E-butenoyl) C20H25ClO7 412.12888 NA MeJP NA NA +C09416 Eupachlorin C20H25ClO7 412.1289 NA KEGG NA NA +MJ057456 Nizofenone C21H21ClN4O3 412.130218 NA MeJP NA NA +MJ057457 N-[[(9-?-D-Ribofuranosyl-9H-purin-6-yl)amino]carbonyl]threonine C15H20N6O8 412.134261 NA MeJP NA NA +MJ057458 14,20-Tricosadiene-3,5,10,12,22-pentayne-1,2-diol, 1-O-Sulfate C23H24O5S 412.134444 NA MeJP NA NA +MJ057459 3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one, O-(4-?-D-Glucopyranosyloxybenzoyl) C19H24O10 412.136946 NA MeJP NA NA +MJ057460 3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one, O-[6-O-(4-Hydroxybenzoyl)-?-D-glucopyranoside] C19H24O10 412.136946 NA MeJP NA NA +MJ057461 10,10-Bis[(2-fluoro-4-pyridinyl)methyl]-9(10H)-anthracenone C26H18F2N2O 412.138719 NA MeJP NA NA +PJ001062 CQY C17H24N4O6S 412.1417 NA PeJP NA NA +FL5FDDNI0004 4'-Hydroxy-3,5,3'-trimethoxy-7-prenyloxyflavone C23H24O7 412.1522 114371-86-7 knapsack NA NA +FL5FDDNI0005 5,4'-Dihydroxy-3,7,3'-trimethoxy-8-prenylflavone C23H24O7 412.1522 40073-85-6 knapsack NA NA +FL5FEANI0004 Viscosol C23H24O7 412.1522 105037-80-7 knapsack NA NA +FLIF1LNF0007 Dihydroamorphigenin;22,23-Dihydro-24-hydroxyrotenone C23H24O7 412.1522 38510-58-6 knapsack NA NA +FLIF1LNF0008 Dalpanol;6',7'-Dihydro-6'-hydroxyrotenone C23H24O7 412.1522 30462-22-7 knapsack NA NA +FLIFHXNI0001 cis-12a-Hydroxyrot-2'-enonic acid C23H24O7 412.1522 82784-44-9 knapsack NA NA +MJ057462 2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1-Et ether, 1',4-dibenzoyl C23H24O7 412.152203 NA MeJP NA NA +MJ057463 3,3',4',5,7-Pentahydroxy-8-prenylflavone; 3,3',7-Tri-Me ether C23H24O7 412.152203 NA MeJP NA NA +MJ057464 3,4',5,6,7-Pentahydroxy-3'-prenylflavone; 3,4',6-Tri-Me ether C23H24O7 412.152203 NA MeJP NA NA +MJ057465 8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-(4-hydroxyphenylacetyl) C23H24O7 412.152203 NA MeJP NA NA +MJ057466 Amorphigenin; 1',3'-Dihydro C23H24O7 412.152203 NA MeJP NA NA +MJ057467 Cudraxanthone N C23H24O7 412.152203 NA MeJP NA NA +MJ057468 Cudraxanthone R C23H24O7 412.152203 NA MeJP NA NA +MJ057469 Dalpanol C23H24O7 412.152203 NA MeJP NA NA +MJ057470 Garcigerrin A C23H24O7 412.152203 NA MeJP NA NA +MJ057471 Garciniaxanthone D C23H24O7 412.152203 NA MeJP NA NA +MJ057472 Garcinisidone A; O-De-Me C23H24O7 412.152203 NA MeJP NA NA +MJ057473 Garvin A quinone C23H24O7 412.152203 NA MeJP NA NA +MJ057474 Hydroxyaristotetralone; Ac C23H24O7 412.152203 NA MeJP NA NA +MJ057475 Morusignin G; 8-Hydroxy C23H24O7 412.152203 NA MeJP NA NA +MJ057476 Morusignin H; 8-Hydroxy C23H24O7 412.152203 NA MeJP NA NA +MJ057477 Purpactin B; Aldehyde C23H24O7 412.152203 NA MeJP NA NA +MJ057478 Saclenone C23H24O7 412.152203 NA MeJP NA NA +PJ001063 GPCH C16H24N6O5S 412.1529 NA PeJP NA NA +MJ057479 2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2S-Hydroxy-2-hydroxymethyl-3S-mercaptobutanoyl) C20H28O7S 412.155573 NA MeJP NA NA +MJ057480 Vintiamol C21H24N4O3S 412.156911 NA MeJP NA NA +PJ001064 GSSY C17H24N4O8 412.1594 NA PeJP NA NA +MJ057481 Halocortolone C22H27ClF2O3 412.161678 NA MeJP NA NA +MJ057482 Di-4-coumaroylputrescine; 3',3''-Dihydroxy C22H24N2O6 412.163436 NA MeJP NA NA +MJ057483 Nareline; 10,12-Dimethoxy C22H24N2O6 412.163436 NA MeJP NA NA +MJ057484 Vomicine; 19?,20?-Epoxide, 15-hydroxy C22H24N2O6 412.163436 NA MeJP NA NA +C07006 Fluocinolone C21H26F2O6 412.1697 NA KEGG NA NA +C07007 Transferred to D00325 C21H26F2O6 412.1697 NA KEGG NA NA +C07008 Transferred to D00326 C21H26F2O6 412.1697 NA KEGG NA NA +C07009 Transferred to D00327 C21H26F2O6 412.1697 NA KEGG NA NA +MJ057485 Fluocinolone C21H26F2O6 412.169744 NA MeJP NA NA +PJ001065 QEH C16H24N6O7 412.1707 NA PeJP NA NA +MJ057486 Benzylthiocrellidone C24H28O4S 412.17083 NA MeJP NA NA +MJ057487 Brucein E C20H28O9 412.173332 NA MeJP NA NA +MJ057488 Eurycomanol; 13?,18-Dihydro C20H28O9 412.173332 NA MeJP NA NA +MJ057489 Picrodendrin E C20H28O9 412.173332 NA MeJP NA NA +MJ057490 Picrodendrin L C20H28O9 412.173332 NA MeJP NA NA +MJ057491 Picrodendrin U C20H28O9 412.173332 NA MeJP NA NA +MJ057492 Picrodendrin W C20H28O9 412.173332 NA MeJP NA NA +MJ057493 Pterosin T; 14-Deoxy, 15-hydroxy, 10-O-?-D-glucopyranoside C20H28O9 412.173332 NA MeJP NA NA +MJ057494 Pterosin T; 14-Deoxy, 15-hydroxy, 4-O-?-D-glucopyranoside C20H28O9 412.173332 NA MeJP NA NA +MJ057495 Pterosin T; 14-Deoxy, 5?-hydroxy, 10-O-?-D-glucopyranoside C20H28O9 412.173332 NA MeJP NA NA +MJ057496 Pterosin T; 4-O-?-D-Glucopyranoside C20H28O9 412.173332 NA MeJP NA NA +MJ057497 Trachyspic acid C20H28O9 412.173332 NA MeJP NA NA +MJ057498 Cyanonaphthyridinomycin; N-De-Me C21H24N4O5 412.174669 NA MeJP NA NA +MJ057499 Cyanonaphthyridinomycin; O-De-Me C21H24N4O5 412.174669 NA MeJP NA NA +PJ001066 CKY C18H28N4O5S 412.1781 NA PeJP NA NA +MJ057500 Cinalukast C23H28N2O3S 412.182063 NA MeJP NA NA +PJ001067 AHW C20H24N6O4 412.1859 NA PeJP NA NA +MJ057501 2'-Deoxy-2'-(3-methyl-2-butenoyl)bruceol; 1''-Deoxo, ?1''-isomer (E-), 3''-hydroperoxy C24H28O6 412.188588 NA MeJP NA NA +MJ057502 2'-Deoxy-2'-(3-methyl-2-butenoyl)bruceol; 1''-Deoxo, ?3''-isomer, 2''?-hydroperoxy C24H28O6 412.188588 NA MeJP NA NA +MJ057503 2'-Deoxy-2'-(3-methyl-2-butenoyl)bruceol; 2'',3''-Dihydro, 2''?-hydroxy C24H28O6 412.188588 NA MeJP NA NA +MJ057504 2,4,6-Trihydroxy-3,5-diprenylbenzophenone; 4'-Hydroxy, 2''S,3''-epoxide, 4-Me ether C24H28O6 412.188588 NA MeJP NA NA +MJ057505 3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 3-Angeloyl, 6-(methylpropenoyl) C24H28O6 412.188588 NA MeJP NA NA +MJ057506 3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 6-Angeloyl, 3-(methylpropenoyl) C24H28O6 412.188588 NA MeJP NA NA +MJ057507 3-(2,4-Dihydroxybenzoyl)dihydro-4,5-dimethyl-5-[4-methyl-5-(4-methyl-2-furanyl)-3-pentenyl]tetrahydro-2(3H)-furanone C24H28O6 412.188588 NA MeJP NA NA +MJ057508 Calanolide A; Ac C24H28O6 412.188588 NA MeJP NA NA +MJ057509 Cedmiline C24H28O6 412.188588 NA MeJP NA NA +C11238 GF 109203X C25H24N4O2 412.1899 NA KEGG NA NA +MJ057510 3-[1-[3-(Dimethylamino)propyl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione C25H24N4O2 412.189926 NA MeJP NA NA +MJ057511 5-Chloro-N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-?,?-dimethyl-1H-indole-3-ethanamine C24H29ClN2O2 412.191755 NA MeJP NA NA +HMDB00416 17-Hydroxypregnenolone sulfate C21H32O6S 412.191956 NA HMDB2010 NA NA +MJ057512 3,6-Dihydroxypregn-9(11)-en-20-one, 3-O-Sulfate C21H32O6S 412.191959 NA MeJP NA NA +HMDB00416 17-Hydroxypregnenolone sulfate C21H32O6S 412.19196 http://www.hmdb.ca/metabolites/HMDB00416 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00416 17-Hydroxypregnenolone sulfate C21H32O6S 412.19196 http://www.hmdb.ca/metabolites/HMDB00416 HMDB NA NA +HMDB00416 17-Hydroxypregnenolone sulfate C21H32O6S 412.19196 http://www.hmdb.ca/metabolites/HMDB00416 PFEM_hmdb_metabocards_blood NA blood +HMDB00416 17-Hydroxypregnenolone sulfate C21H32O6S 412.19196 HMDB00416 PFEM_hmdb_metabocards_official NA NA +MJ057513 3-Methyl-1-butanol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C17H32O11 412.194461 NA MeJP NA NA +MJ057514 Pyridinoline; 2'-Deoxy C18H29N4O7(+) 412.195799 NA MeJP NA NA +HMDB00569 Deoxypyridinoline C18H28N4O7 412.1958 http://www.hmdb.ca/metabolites/HMDB00569 PFEM_hmdb_metabocards_urine NA urine +EUR020 Deoxypyridinoline C18H28N4O7 412.1958 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00569 Deoxypyridinoline C18H28N4O7 412.1958 http://www.hmdb.ca/metabolites/HMDB00569 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR020 Deoxypyridinoline C18H28N4O7 412.1958 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00569 Deoxypyridinoline C18H28N4O7 412.1958 http://www.hmdb.ca/metabolites/HMDB00569 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR020 Deoxypyridinoline C18H28N4O7 412.1958 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00569 Deoxypyridinoline C18H28N4O7 412.1958 http://www.hmdb.ca/metabolites/HMDB00569 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00569 Deoxypyridinoline C18H28N4O7 412.1958 http://www.hmdb.ca/metabolites/HMDB00569 HMDB NA NA +EUR020 Deoxypyridinoline C18H28N4O7 412.1958 Wishlist Inhousejuil11 NA NA +PJ001068 APPE C18H28N4O7 412.1958 NA PeJP NA NA +HMDB00569 Deoxypyridinoline C18H28N4O7 412.1958 http://www.hmdb.ca/metabolites/HMDB00569 PFEM_hmdb_metabocards_blood NA blood +HMDB00569 Deoxypyridinoline C18H28N4O7 412.1958 HMDB00569 PFEM_hmdb_metabocards_official NA NA +HMDB00569 Deoxypyridinoline C18H28N4O7 412.1958 NA ;SYN:3-Chloro-L-tyrosine; L-(8CI)-3-chloro-Tyrosine; Monochlorotyrosine; ChlorotyrosineH2Blood; Urine Inhouse_peptide NA peptide +EUR020 Deoxypyridinoline C18H28N4O7 412.195801 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR020 Deoxypyridinoline C18H28N4O7 412.195801 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR020 Deoxypyridinoline C18H28N4O7 412.195801 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR020 Deoxypyridinoline C18H28N4O7 412.195801 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR020 Deoxypyridinoline C18H28N4O7 412.195801 Wishlist HMDB NA NA +HMDB00569 Deoxypyridinoline C18H28N4O7 412.195801 NA HMDB2010 NA NA +EUR020 Deoxypyridinoline C18H28N4O7 412.195801 Wishlist Inhouse_PFEM NA NA +EUR020 Deoxypyridinoline C18H28N4O7 412.195801 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR020 Deoxypyridinoline C18H28N4O7 412.195801 Wishlist PFEM_hmdb_metabocards_official NA NA +MJ057515 Ajmalicine, 10,11-Dimethoxy C23H28N2O5 412.199822 NA MeJP NA NA +MJ057516 Berbidine C23H28N2O5 412.199822 NA MeJP NA NA +MJ057517 Cimicidine C23H28N2O5 412.199822 NA MeJP NA NA +MJ057518 Conopharyngine; 3-Oxo C23H28N2O5 412.199822 NA MeJP NA NA +MJ057519 Cylindrocarine, 5-Oxo, N-Ac C23H28N2O5 412.199822 NA MeJP NA NA +MJ057520 Echitamine; N4-De-Me, 17-Ac C23H28N2O5 412.199822 NA MeJP NA NA +MJ057521 Gardneramine C23H28N2O5 412.199822 NA MeJP NA NA +MJ057522 Gelsemine; N-Methoxy, 18,19-dihydro, 19R-acetoxy C23H28N2O5 412.199822 NA MeJP NA NA +MJ057523 Hazuntinine C23H28N2O5 412.199822 NA MeJP NA NA +MJ057524 Kopsiflorine C23H28N2O5 412.199822 NA MeJP NA NA +MJ057525 N-Carbomethoxy-17?-hydroxykopsinine C23H28N2O5 412.199822 NA MeJP NA NA +MJ057526 Picraphylline; 11-Methoxy C23H28N2O5 412.199822 NA MeJP NA NA +MJ057527 Picrinine; 10,11-Dimethoxy, Na-Me C23H28N2O5 412.199822 NA MeJP NA NA +MJ057528 Pleiocarpine; N-Oxide C23H28N2O5 412.199822 NA MeJP NA NA +MJ057529 Rauvanine C23H28N2O5 412.199822 NA MeJP NA NA +MJ057530 Reserpiline C23H28N2O5 412.199822 NA MeJP NA NA +MJ057531 Specionoxeine C23H28N2O5 412.199822 NA MeJP NA NA +MJ057532 Strictamine; 5?,10,11-Trimethoxy C23H28N2O5 412.199822 NA MeJP NA NA +MJ057533 Strychnobrasiline; 12-Hydroxy, 11-methoxy C23H28N2O5 412.199822 NA MeJP NA NA +MJ057534 Vincorine; 11-Methoxy, N-de-Me, N-formyl C23H28N2O5 412.199822 NA MeJP NA NA +MJ057535 Adapalene C28H28O3 412.203844 NA MeJP NA NA +8067 synthetic peptide RHT 412.206 antioxidative Inhouse_peptide NA peptide +PJ001069 KEH C17H28N6O6 412.2071 NA PeJP NA NA +MJ057536 1-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, 2-O-?-D-glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057537 1-Hydroxy-3,11-eudesmadien-15-oic acid, 1-O-?-D-Glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057538 1-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, 1-O-?-D-Glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057539 1-Hydroxy-5,11(13)-eudesmadien-12-oic acid, 1-O-?-D-Glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057540 10-Hydroxy-4(15),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, O-?-D-glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057541 10-Hydroxy-4(15)-guaien-12,6-olide, O-?-D-Glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057542 15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, O-?-D-glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057543 2,3-Epoxy-11-hydroxy-8-daucen-10-one, O-?-D-Glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057544 3,9,10-Calamenenetriol, 10-O-?-D-Glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057545 3,9,10-Calamenenetriol, 9-O-?-D-Glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057546 3-Hydroxy-1(10),4-germacradien-12,6-olide, 3-O-?-D-Glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057547 3-Hydroxy-1(10),4-germacradien-12,8-olide, 3-O-?-D-Glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057548 3-Hydroxy-4,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, 3-O-?-D-glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057549 4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro, 4-O-?-D-glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057550 4-Hydroxy-5,11(13)-guaiadien-12,8-olide, 11?,13-Dihydro, 4-O-?-D-glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057551 5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one C21H32O8 412.209718 NA MeJP NA NA +MJ057552 8,14-Dihydroxy-6-protoilluden-1-one, 14-O-?-D-Glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057553 8,15-Dihydroxy-2-oxo-3,5,11(13)-guaiatrien-12-oic acid, 8-(2-Methylpropenoyl), 15-O-?-D-glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057554 9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, O-?-D-glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057555 9-Hydroxy-5,11(13)-eudesmadien-12-oic acid, 9-O-?-D-Glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057556 Abscisic alcohol; 11-O-?-D-Glucopyranoside C21H32O8 412.209718 NA MeJP NA NA +MJ057557 Cryptoporic acid A; Parent acid, 15-hydroxy C21H32O8 412.209718 NA MeJP NA NA +MJ057558 Cryptoporic acid I C21H32O8 412.209718 NA MeJP NA NA +MJ057559 Floridanolide; 14-Butanoyloxy, 4?-acetoxy, 10-deoxy C21H32O8 412.209718 NA MeJP NA NA +MJ057560 Ptaquiloside Z C21H32O8 412.209718 NA MeJP NA NA +MJ057561 8-[2-(3,4-Dimethoxyphenyl)ethenyl]-3,7-dihydro-7-methyl-1,3-dipropyl-1H-purine-2,6-dione C22H28N4O4 412.211055 NA MeJP NA NA +MJ057562 Ametantrone C22H28N4O4 412.211055 NA MeJP NA NA +8097 NAP NAPVSIPQ 412.21295 MH2+ Inhouse_peptide NA peptide +PJ001070 THR C16H28N8O5 412.2183 NA PeJP NA NA +2821 PEP inhibitor TPPV 412.219 NA Inhouse_peptide NA peptide +MJ057563 14,16-Epoxy-6-hydroxy-17-oxo-7,13(16),14-labdatrien-17,12-olide, Angeloyl C25H32O5 412.224974 NA MeJP NA NA +MJ057564 2,11,19-Trihydroxy-5,7,9(11),13-abietatetraen-12-one; 2?-form, 19-(3-Methyl-2-butenoyl) C25H32O5 412.224974 NA MeJP NA NA +MJ057565 6-Hydroxy-14,15-dinor-13-oxo-8(17)-labden-18-oic acid, 6-Benzoyl C25H32O5 412.224974 NA MeJP NA NA +MJ057566 Andilesin A; 6'-De-hydroxy C25H32O5 412.224974 NA MeJP NA NA +MJ057567 Austalide K C25H32O5 412.224974 NA MeJP NA NA +MJ057568 Deflectin 1c C25H32O5 412.224974 NA MeJP NA NA +MJ057569 Galbanic acid; Me ester C25H32O5 412.224974 NA MeJP NA NA +MJ057570 Hippospongin B; 18,19-Dihydro C25H32O5 412.224974 NA MeJP NA NA +MJ057571 Manuifolin G C25H32O5 412.224974 NA MeJP NA NA +MJ057572 Pallidone J C25H32O5 412.224974 NA MeJP NA NA +MJ057573 Scopodrimol A C25H32O5 412.224974 NA MeJP NA NA +MJ057574 Tridachiapyrone B C25H32O5 412.224974 NA MeJP NA NA +MJ057575 Variabilin, 4-Oxo C25H32O5 412.224974 NA MeJP NA NA +MJ057576 Variabilin, ?7(E-), ?11-Isomer, 4-oxo C25H32O5 412.224974 NA MeJP NA NA +MJ057577 Wallichilide C25H32O5 412.224974 NA MeJP NA NA +C14924 3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate C25H32O5 412.225 NA KEGG NA NA +PJ001071 SPPL C19H32N4O6 412.2322 NA PeJP NA NA +MJ057578 Cylindrocarine, N-Propanoyl C24H32N2O4 412.236207 NA MeJP NA NA +C09103 Grayanotoxin I C22H36O7 412.2461 NA KEGG NA NA +MJ057579 1,6,10-Farnesatriene-3,9-diol; 3-O-(2-O-Acetyl-?-D-xylopyranoside) C22H36O7 412.246103 NA MeJP NA NA +MJ057580 13,14,15,16-Tetrahydroxy-19-spongianoic acid, 15,16-Di-Me ether C22H36O7 412.246103 NA MeJP NA NA +MJ057581 3,5,6,10,14,16-Grayanotoxanehexol, 14-Ac C22H36O7 412.246103 NA MeJP NA NA +MJ057582 Conyzanol A C22H36O7 412.246103 NA MeJP NA NA +MJ057583 Pregn-5-ene-3,7,8,12,14,17,20-heptol, 7-Me ether C22H36O7 412.246103 NA MeJP NA NA +HMDB03752 LysoPC(10:0) C18H39NO7P 412.246399 NA HMDB2010 NA NA +HMDB03752 1-Decanoyllysolecithin C18H39NO7P 412.2464 http://www.hmdb.ca/metabolites/HMDB03752 HMDB NA NA +HMDB03752 1-Decanoyllysolecithin C18H39NO7P 412.2464 HMDB03752 PFEM_hmdb_metabocards_official NA NA +MJ057584 2-(Diphenylmethyl)-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine C28H32N2O 412.251463 NA MeJP NA NA +7667 ACE inhibitor from k-CN (94-97) IAIP 412.257 antioxidative Inhouse_peptide NA peptide +MJ057585 Epopromycin A C21H36N2O6 412.257336 NA MeJP NA NA +MJ057586 6-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-2,6-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-5,7(3H,6H)-dione C26H36O4 412.261359 NA MeJP NA NA +MJ057587 8-(3,7-Dimethyl-2,6-octadienyl)-5-hydroxy-2,8-dimethyl-6-(3-methyl-2-butenyl)-2H-1-benzopyran-4,7(3H,8H)-dione C26H36O4 412.261359 NA MeJP NA NA +MJ057588 Aglajne 3; 9,10-Didehydro(E)- C26H36O4 412.261359 NA MeJP NA NA +MJ057589 Azadirone; 6?-Hydroxy, 1,2-dihydro, 7-O-de-Ac C26H36O4 412.261359 NA MeJP NA NA +MJ057590 Boviquinone 4 C26H36O4 412.261359 NA MeJP NA NA +MJ057591 Chisocheton compound F; 6-Deacetoxy, 7-deacetyl, 23-oxo C26H36O4 412.261359 NA MeJP NA NA +MJ057592 Papuaforin A C26H36O4 412.261359 NA MeJP NA NA +MJ057593 Papuaforin B C26H36O4 412.261359 NA MeJP NA NA +MJ057594 Robustol C26H36O4 412.261359 NA MeJP NA NA +MJ057595 Strongylophorine 5; 19-Carboxylic acid C26H36O4 412.261359 NA MeJP NA NA +MJ057596 Trifurcatol B1 C26H36O4 412.261359 NA MeJP NA NA +PJ001072 APLL C20H36N4O5 412.2686 NA PeJP NA NA +MJ057597 Leucylvalylargininal; N-Ac C19H36N6O4 412.279803 NA MeJP NA NA +MJ057598 Valylleucylargininal; N-Ac C19H36N6O4 412.279803 NA MeJP NA NA +MJ057599 6,13-Epoxy-4,8,9,12-eunicellanetetrol, 9-Me ether, 12-Ac C23H40O6 412.282489 NA MeJP NA NA +MJ057600 8,15,18-Labdanetriol, 15-Malonyl ester C23H40O6 412.282489 NA MeJP NA NA +MJ057601 Mexiprostil C23H40O6 412.282489 NA MeJP NA NA +C08156 Testosterone cypionate C27H40O3 412.2977 NA KEGG NA NA +MJ057602 1-Hydroxy-13,15,18,20-pentacosatetraen-11-yn-4-one, Ac C27H40O3 412.297745 NA MeJP NA NA +MJ057603 10',11'-Didehydro-5,8,11',12'-tetrahydro-10'-apo-?-carotene-3,5,8-triol C27H40O3 412.297745 NA MeJP NA NA +MJ057604 12-Hydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-Ketone C27H40O3 412.297745 NA MeJP NA NA +MJ057605 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-(3-Cyclopentylpropanoyl) C27H40O3 412.297745 NA MeJP NA NA +MJ057606 17-Hydroxyestr-4-en-3-one; 17?-form, Cyclohexanepropanoyl C27H40O3 412.297745 NA MeJP NA NA +MJ057607 18,20-Dihydroxycholesta-1,4,22-trien-3-one; 20S-form C27H40O3 412.297745 NA MeJP NA NA +MJ057608 2-(5-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-6-methyl-1,2-benzenediol C27H40O3 412.297745 NA MeJP NA NA +MJ057609 22,25-Epoxyfurost-1-en-3-one C27H40O3 412.297745 NA MeJP NA NA +MJ057610 22-Hydroxyfurosta-1,4-dien-3-one; 22?-form C27H40O3 412.297745 NA MeJP NA NA +MJ057611 24,25-Epoxy-17(24),18(25)-scalaradien-12-ol; 12?-form, Ac C27H40O3 412.297745 NA MeJP NA NA +MJ057612 3-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,2,4-benzenetriol, 4-Me ether C27H40O3 412.297745 NA MeJP NA NA +MJ057613 3-Hydroxycholesta-5,22-diene-7,24-dione C27H40O3 412.297745 NA MeJP NA NA +MJ057614 5,8-Epidioxycholesta-6,9(11),22-trien-3-ol C27H40O3 412.297745 NA MeJP NA NA +MJ057615 5-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,2,3-benzenetriol, 1-Me ether C27H40O3 412.297745 NA MeJP NA NA +MJ057616 6-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,2,4-benzenetriol, 1-Me ether C27H40O3 412.297745 NA MeJP NA NA +MJ057617 9,11-Secocholesta-5,7-diene-3,9,11-trione C27H40O3 412.297745 NA MeJP NA NA +MJ057618 Cabraleahydroxylactone; 1,2-Didehydro, 3-ketone C27H40O3 412.297745 NA MeJP NA NA +MJ057619 Calcipotriol C27H40O3 412.297745 NA MeJP NA NA +MJ057620 Minabeolide 4 C27H40O3 412.297745 NA MeJP NA NA +MJ057621 Sinensiachrome C27H40O3 412.297745 NA MeJP NA NA +MJ057622 Spirost-1-en-3-one C27H40O3 412.297745 NA MeJP NA NA +MJ057623 Spirost-4-en-3-one C27H40O3 412.297745 NA MeJP NA NA +MJ057624 Spirosta-5,25(27)-dien-3-ol C27H40O3 412.297745 NA MeJP NA NA +MJ057625 Stypodiol C27H40O3 412.297745 NA MeJP NA NA +MJ057626 Taondiol C27H40O3 412.297745 NA MeJP NA NA +MJ057627 Valenciachrome C27H40O3 412.297745 NA MeJP NA NA +MJ057628 Valenciaxanthin C27H40O3 412.297745 NA MeJP NA NA +MJ057629 ?-Tocotrienol; 11',12'-Epoxide C27H40O3 412.297745 NA MeJP NA NA +C08211 Doxercalciferol C28H44O2 412.3341 NA KEGG NA NA +MJ057630 1-(16-Phenyl-12-hexadecenyl)-4-cyclohexene-1,3-diol C28H44O2 412.33413 NA MeJP NA NA +MJ057631 28,29-Dinorcycloart-24-ene-3,6-diol, 6-Ketone C28H44O2 412.33413 NA MeJP NA NA +MJ057632 3-Hydroxyergosta-5,22-dien-7-one C28H44O2 412.33413 NA MeJP NA NA +MJ057633 3-Hydroxyergosta-5,24(28)-dien-7-one C28H44O2 412.33413 NA MeJP NA NA +MJ057634 6,9-Epoxyergosta-7,22-dien-3-ol C28H44O2 412.33413 NA MeJP NA NA +MJ057635 8,9-Epoxy-8,9-secoergosta-7,9(11),22-trien-3-ol C28H44O2 412.33413 NA MeJP NA NA +MJ057636 9,10-Secoergosta-5(10),6,8(14),22-tetraene-3,24-diol C28H44O2 412.33413 NA MeJP NA NA +MJ057637 9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, 25-Hydroxy C28H44O2 412.33413 NA MeJP NA NA +MJ057638 9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diol C28H44O2 412.33413 NA MeJP NA NA +MJ057639 9,10-Secoergosta-5,7,10(19),22-tetraene-3,24-diol C28H44O2 412.33413 NA MeJP NA NA +MJ057640 Calicoferol F C28H44O2 412.33413 NA MeJP NA NA +MJ057641 Ergost-4-ene-3,6-dione C28H44O2 412.33413 NA MeJP NA NA +MJ057642 Ergosta-4,8,22-triene-3,7-diol C28H44O2 412.33413 NA MeJP NA NA +MJ057643 Ergosta-5,22,24-triene-3,7-diol C28H44O2 412.33413 NA MeJP NA NA +MJ057644 Ergosta-5,24(28)-diene-3,16-diol, 16-Ketone C28H44O2 412.33413 NA MeJP NA NA +MJ057645 Ergosta-5,7,22-trien-3-ol, 5?,6?-Epoxide C28H44O2 412.33413 NA MeJP NA NA +MJ057646 Ergosta-5,7,22-trien-3-ol, 5?,6?-Epoxide C28H44O2 412.33413 NA MeJP NA NA +MJ057647 Ergosta-5,7,24(28)-triene-3,20-diol C28H44O2 412.33413 NA MeJP NA NA +MJ057648 Ergosta-5,8,22-triene-3,11-diol C28H44O2 412.33413 NA MeJP NA NA +MetaCyc03435 4α-formyl-5α-cholesta-8,24-dien-3β-ol [] C28H44O2 412.334131 NA metacyc NA NA +HMDB01203 4a-Formyl-5a-cholesta-8,24-dien-3b-ol C28H44O2 412.334137 NA HMDB2010 NA NA +HMDB01438 25-Hydroxyvitamin D2 C28H44O2 412.334137 NA HMDB2010 NA NA +HMDB01438 25-Hydroxyvitamin D2 C28H44O2 412.33414 http://www.hmdb.ca/metabolites/HMDB01438 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01203 4a-Formyl-5a-cholesta-8,24-dien-3b-ol C28H44O2 412.33414 http://www.hmdb.ca/metabolites/HMDB01203 HMDB NA NA +HMDB01438 25-Hydroxyvitamin D2 C28H44O2 412.33414 http://www.hmdb.ca/metabolites/HMDB01438 HMDB NA NA +HMDB01438 25-Hydroxyvitamin D2 C28H44O2 412.33414 http://www.hmdb.ca/metabolites/HMDB01438 PFEM_hmdb_metabocards_blood NA blood +HMDB01203 4a-Formyl-5a-cholesta-8,24-dien-3b-ol C28H44O2 412.33414 HMDB01203 PFEM_hmdb_metabocards_official NA NA +HMDB01438 25-Hydroxyvitamin D2 C28H44O2 412.33414 HMDB01438 PFEM_hmdb_metabocards_official NA NA +MJ057649 Buxamine I; N3-Me, N20-Ac C27H44N2O 412.345364 NA MeJP NA NA +MJ057650 Buxitrienine C C27H44N2O 412.345364 NA MeJP NA NA +MJ057651 Cyclobuxine I; 16-Deoxy, N3, N20-di-Me, N3-Ac C27H44N2O 412.345364 NA MeJP NA NA +MJ057652 Harappamine C27H44N2O 412.345364 NA MeJP NA NA +MJ057653 Karachicine C27H44N2O 412.345364 NA MeJP NA NA +MJ057654 Papillozine C C27H44N2O 412.345364 NA MeJP NA NA +MJ057655 Spirosol-5-en-3-amine C27H44N2O 412.345364 NA MeJP NA NA +HMDB11552 MG(0:0/22:1(13Z)/0:0) C25H48O4 412.355255 NA HMDB2010 NA NA +HMDB11582 MG(22:1(13Z)/0:0/0:0) C25H48O4 412.355255 NA HMDB2010 NA NA +C05108 14-Demethyllanosterol C29H48O 412.3705 NA KEGG NA NA +C05442 Stigmasterol C29H48O 412.3705 NA KEGG NA NA +C08817 Fucosterol C29H48O 412.3705 NA KEGG NA NA +C08818 Carrageenan C29H48O 412.3705 NA KEGG NA NA +C08821 Isofucosterol C29H48O 412.3705 NA KEGG NA NA +C08822 Gum arabic C29H48O 412.3705 NA KEGG NA NA +C08836 Poriferasterol C29H48O 412.3705 NA KEGG NA NA +C08840 alpha-Spinasterol C29H48O 412.3705 NA KEGG NA NA +C11522 24-Methylene lophenol C29H48O 412.3705 NA KEGG NA NA +C15776 4alpha-Methylfecosterol C29H48O 412.3705 NA KEGG NA NA +C15782 delta7-Avenasterol C29H48O 412.3705 NA KEGG NA NA +C18193 Vitamin D5 C29H48O 412.3705 NA KEGG NA NA +HMDB00937 Stigmasterol C29H48O 412.37051 http://www.hmdb.ca/metabolites/HMDB00937 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02374 Avenasterol C29H48O 412.37051 http://www.hmdb.ca/metabolites/HMDB02374 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00937 Stigmasterol C29H48O 412.37051 http://www.hmdb.ca/metabolites/HMDB00937 HMDB NA NA +HMDB02374 Avenasterol C29H48O 412.37051 http://www.hmdb.ca/metabolites/HMDB02374 HMDB NA NA +HMDB06845 4alpha-Methylfecosterol C29H48O 412.37051 http://www.hmdb.ca/metabolites/HMDB06845 HMDB NA NA +HMDB06851 delta7-Avenasterol C29H48O 412.37051 http://www.hmdb.ca/metabolites/HMDB06851 HMDB NA NA +HMDB06925 4-alpha-Methylfecosterol C29H48O 412.37051 http://www.hmdb.ca/metabolites/HMDB06925 HMDB NA NA +HMDB00937 Stigmasterol C29H48O 412.37051 http://www.hmdb.ca/metabolites/HMDB00937 PFEM_hmdb_metabocards_blood NA blood +HMDB02374 Avenasterol C29H48O 412.37051 http://www.hmdb.ca/metabolites/HMDB02374 PFEM_hmdb_metabocards_blood NA blood +HMDB00937 Stigmasterol C29H48O 412.37051 HMDB00937 PFEM_hmdb_metabocards_official NA NA +HMDB02374 Avenasterol C29H48O 412.37051 HMDB02374 PFEM_hmdb_metabocards_official NA NA +HMDB06845 4alpha-Methylfecosterol C29H48O 412.37051 HMDB06845 PFEM_hmdb_metabocards_official NA NA +HMDB06851 delta7-Avenasterol C29H48O 412.37051 HMDB06851 PFEM_hmdb_metabocards_official NA NA +HMDB06925 4-alpha-Methylfecosterol C29H48O 412.37051 HMDB06925 PFEM_hmdb_metabocards_official NA NA +HMDB00937 Stigmasterol C29H48O 412.370514 NA HMDB2010 NA NA +HMDB01286 4,4-Dimethyl-5a-cholesta-8,24-dien-3-b-ol C29H48O 412.370514 NA HMDB2010 NA NA +HMDB02374 Avenasterol C29H48O 412.370514 NA HMDB2010 NA NA +HMDB06845 4a-Methylfecosterol C29H48O 412.370514 NA HMDB2010 NA NA +HMDB06846 24-Methylenelophenol C29H48O 412.370514 NA HMDB2010 NA NA +HMDB06851 Delta7-Avenasterol C29H48O 412.370514 NA HMDB2010 NA NA +MJ057656 14-Methyl-9,19-cycloergost-24(28)-en-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057657 14-Methyl-9,19-cycloergost-25-en-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057658 14-Methylergosta-9(11),24(28)-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057659 19,28-Epoxy-24-noroleanane; 19?-form C29H48O 412.370516 NA MeJP NA NA +MJ057660 23,25-Cyclostigmast-5-en-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057661 23-Demethylgorgosterol C29H48O 412.370516 NA MeJP NA NA +MJ057662 23-Ethyl-24,26-cyclocholest-5-en-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057663 23-Ethylcholesta-11,23-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057664 23-Methylergost-22-en-3-ol, 7,8-Didehydro C29H48O 412.370516 NA MeJP NA NA +MJ057665 23-Methylergosta-5,17(20)-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057666 23-Methylergosta-5,22-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057667 24,26-Dimethylcholest-5-en-3-ol, 25,26-Didehydro C29H48O 412.370516 NA MeJP NA NA +MJ057668 24,26-Dimethylcholesta-5,25-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057669 24-Methylergosta-5,25-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057670 24-Nor-5-oleanen-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057671 25-Methyl-24-methylenecholest-5-en-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057672 25-Methylergosta-7,24(28)-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057673 25-Nor-9(11)-friedelen-3-ol; 3?-form C29H48O 412.370516 NA MeJP NA NA +MJ057674 26-Methylergosta-5,24(28)-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057675 26-Methylergosta-5,26-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057676 26-Nor-14-friedelen-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057677 28-Nor-12-oleanen-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057678 28-Nor-12-ursen-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057679 29-Norcycloart-24-en-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057680 29-Norcycloarta-3,24-dien-23-one; Tetrahydro C29H48O 412.370516 NA MeJP NA NA +MJ057681 29-Norcycloartan-3-ol, 24,25-Didehydro C29H48O 412.370516 NA MeJP NA NA +MJ057682 29-Norcycloartan-3-ol, Ketone C29H48O 412.370516 NA MeJP NA NA +MJ057683 29-Norlanosterol C29H48O 412.370516 NA MeJP NA NA +MJ057684 30-Nor-22-hopanone; 21?H-form C29H48O 412.370516 NA MeJP NA NA +MJ057685 30-Nor-22-hopanone; 21à H-form C29H48O 412.370516 NA MeJP NA NA +MJ057686 4,4-Dimethylcholesta-6,20(22)-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057687 4,4-Dimethylcholesta-8,24-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057688 4-Methylergosta-7,22-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057689 4-Methylergosta-7,23-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057690 4-Methylergosta-7,24(28)-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057691 4-Methylergosta-7,25-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057692 4-Methylergosta-8(14),22-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057693 4-Methylergosta-8(14),25-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057694 4-Methylergosta-8,22-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057695 4-Methylergosta-8,24(28)-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057696 9,19-Cyclo-14,24-dimethylcholestan-3-ol, 3-Ketone C29H48O 412.370516 NA MeJP NA NA +MJ057697 Amphisterol C29H48O 412.370516 NA MeJP NA NA +MJ057698 Australinol A; 2-Aldehyde C29H48O 412.370516 NA MeJP NA NA +MJ057699 Australinol B; 2-Aldehyde C29H48O 412.370516 NA MeJP NA NA +MJ057700 Australinol C; 2-Aldehyde C29H48O 412.370516 NA MeJP NA NA +MJ057701 Australinol D; 2-Aldehyde C29H48O 412.370516 NA MeJP NA NA +MJ057702 Australinol E; 2-Aldehyde C29H48O 412.370516 NA MeJP NA NA +MJ057703 Australinol E; ?20(30)-Isomer, 2-aldehyde C29H48O 412.370516 NA MeJP NA NA +MJ057704 Conicasterol C29H48O 412.370516 NA MeJP NA NA +MJ057705 Cyclonervilasterol; 22,23-Dihydro C29H48O 412.370516 NA MeJP NA NA +MJ057706 Cyclonervilasterol; 24-Epimer, 22,23-dihydro C29H48O 412.370516 NA MeJP NA NA +MJ057707 Dihydrocalysterol C29H48O 412.370516 NA MeJP NA NA +MJ057708 Echissaposterol C29H48O 412.370516 NA MeJP NA NA +MJ057709 Ficisterol C29H48O 412.370516 NA MeJP NA NA +MJ057710 Petrostanol; 5,6-Didehydro C29H48O 412.370516 NA MeJP NA NA +MJ057711 Stigmast-24(28)-en-3-one C29H48O 412.370516 NA MeJP NA NA +MJ057712 Stigmast-4-en-3-one C29H48O 412.370516 NA MeJP NA NA +MJ057713 Stigmast-5-en-3-one C29H48O 412.370516 NA MeJP NA NA +MJ057714 Stigmast-7-en-3-one C29H48O 412.370516 NA MeJP NA NA +MJ057715 Stigmast-9(11)-en-3-ol, Ketone C29H48O 412.370516 NA MeJP NA NA +MJ057716 Stigmasta-22,25-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057717 Stigmasta-24(28),25-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057718 Stigmasta-5,11-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057719 Stigmasta-5,17(20)-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057720 Stigmasta-5,20-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057721 Stigmasta-5,22-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057722 Stigmasta-5,23-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057723 Stigmasta-5,24(28)-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057724 Stigmasta-5,24-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057725 Stigmasta-5,25-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057726 Stigmasta-5,9(11)-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057727 Stigmasta-7,22-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057728 Stigmasta-7,24(28)-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057729 Stigmasta-7,24-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057730 Stigmasta-7,25-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057731 Stigmasta-8(14),22-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057732 Stigmasta-8,22-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057733 Stigmasta-9(11),22-dien-3-ol C29H48O 412.370516 NA MeJP NA NA +MJ057734 14-Desmethyllanosterol C29H48O 412.370516 NA MeJP NA NA +MJ057735 Phytosterol C29H48O 412.370516 NA MeJP NA NA +MetaCyc03436 4,4-dimethyl-5α-cholesta-8,24-dien-3-β-ol [4,4-dimethyl-8,24-cholestadienol;4,4-dimethylzymosterol;14-demethyllanosterol;17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthren-3-ol;4,4-dimethyl-5α-cholesta-8,24-dien-3β-ol;] C29H48O1 412.370516 NA metacyc NA NA +MetaCyc03437 24-methylenelophenol [cpd-4101;cdp-4101;4α-methyl-5α-ergosta-7,24-dien-3β-ol;] C29H48O1 412.370516 NA metacyc NA NA +MetaCyc03438 4α-methylfecosterol [4α-methyl-5α-ergosta-8,24-dien-3β-ol;] C29H48O1 412.370516 NA metacyc NA NA +MetaCyc03439 stigmasterol [] C29H48O1 412.370516 NA metacyc NA NA +MetaCyc03440 Δ24-25-sitosterol [] C29H48O1 412.370516 NA metacyc NA NA +MetaCyc03441 isofucosterol [] C29H48O1 412.370516 NA metacyc NA NA +MetaCyc03442 avenasterol [] C29H48O1 412.370516 NA metacyc NA NA +MJ057736 Buxamine I; N-Tetra-Me C28H48N2 412.381749 NA MeJP NA NA +MJ057737 Buxupapine; N3-Me C28H48N2 412.381749 NA MeJP NA NA +MJ057738 2-Hydroxy-23-methylpentacosanoic acid C26H52O3 412.391645 NA MeJP NA NA +MJ057739 2-Hydroxy-24-methylpentacosanoic acid C26H52O3 412.391645 NA MeJP NA NA +MJ057740 26-Hydroxyhexacosanoic acid C26H52O3 412.391645 NA MeJP NA NA +MJ057741 Gammacerane C30H52 412.406901 NA MeJP NA NA +MJ057742 Hopane C30H52 412.406901 NA MeJP NA NA +MJ057743 Oleanane C30H52 412.406901 NA MeJP NA NA +MJ057744 Triterpane E C30H52 412.406901 NA MeJP NA NA +MJ057745 6,8-Heptacosanediol C27H56O2 412.428031 NA MeJP NA NA +MJ057746 7,8-Heptacosanediol C27H56O2 412.428031 NA MeJP NA NA +MJ057747 8,10-Heptacosanediol C27H56O2 412.428031 NA MeJP NA NA +MJ057748 8,9-Heptacosanediol C27H56O2 412.428031 NA MeJP NA NA +MJ057749 Teclothiazide C8H7Cl4N3O4S2 412.863207 NA MeJP NA NA +MJ057750 Aplidiamine C12H9Br2N5O2 412.912299 NA MeJP NA NA +MJ057751 Lissoclinotoxin A; 8-(Methylthio), N,N,O-tri-Me C13H19NO2S6 412.974002 NA MeJP NA NA +MJ057752 Discorhabdin A; 16,17-Didehydro C18H12BrN3O2S 412.983359 NA MeJP NA NA +MJ057753 Discorhabdin A; 4,5-Didehydro C18H12BrN3O2S 412.983359 NA MeJP NA NA +MJ057754 Halofuginone C16H17BrClN3O3 413.014181 NA MeJP NA NA +MJ057755 Cefdaloxime C14H15N5O6S2 413.046374 NA MeJP NA NA +MJ057756 4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3-iodo-1H-indole-2-carbonitrile C16H20IN3O2 413.06002 NA MeJP NA NA +MJ057757 Bretylium(1+); 4-Methylbenzenesulfonate C18H24BrNO3S 413.066026 NA MeJP NA NA +MJ057758 Adlumidiceine; 1-Oxo C21H19NO8 413.111066 NA MeJP NA NA +MJ057759 Glutathione; S-(4-Hydroxybenzyl) C17H23N3O7S 413.12567 NA MeJP NA NA +PJ001073 CEY C17H23N3O7S 413.1257 NA PeJP NA NA +MJ057760 4-Acetyl-1-[(3,4-dichlorophenyl)acetyl]-2-[(3-hydroxy-1-pyrrolidinyl)methyl]piperazine C19H25Cl2N3O3 413.127297 NA MeJP NA NA +MJ057761 4-[(3,4-Dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid, Me ester C19H25Cl2N3O3 413.127297 NA MeJP NA NA +MJ057762 Azaclorzine C22H24ClN3OS 413.13286 NA MeJP NA NA +MJ057763 Chromopyrrolic acid; Di-Me ester C24H19N3O4 413.137556 NA MeJP NA NA +MJ057764 Antibiotic SB 219383 C17H23N3O9 413.143429 NA MeJP NA NA +MJ057765 ibiotic SB 219383 C17H23N3O9 413.143429 NA MeJP NA NA +MJ057766 3-Amino-3,4-dideoxy-xylo-hexuronic acid; ?-D-Pyranose-form, Me glycoside, 2,3-dibenzoyl, Me ester C22H23NO7 413.147452 NA MeJP NA NA +MJ057767 3-Amino-3,4-dideoxy-xylo-hexuronic acid; ?-D-Pyranose-form, Me glycoside, 2,3-dibenzoyl, Me ester C22H23NO7 413.147452 NA MeJP NA NA +MJ057768 Microcarpine C22H23NO7 413.147452 NA MeJP NA NA +MJ057769 Narcotine C22H23NO7 413.147452 NA MeJP NA NA +C09592 alpha-Narcotine C22H23NO7 413.1475 NA KEGG NA NA +PJ001074 EEH C16H23N5O8 413.1547 NA PeJP NA NA +PJ001075 TMY C18H27N3O6S 413.1621 NA PeJP NA NA +C09109 Hymatoxin A C20H29O7S 413.1634 NA KEGG NA NA +PJ001076 GSNH C15H23N7O7 413.1659 NA PeJP NA NA +MJ057770 Ridiflone C23H22F3N3O 413.171496 NA MeJP NA NA +MJ057771 Iheyamine B C25H23N3O3 413.173941 NA MeJP NA NA +MJ057772 Antibiotic FR 900452; Dihydro (?) C22H27N3O3S 413.177312 NA MeJP NA NA +MJ057773 Ethacizine C22H27N3O3S 413.177312 NA MeJP NA NA +C16787 AK-toxin I C23H27NO6 413.1838 NA KEGG NA NA +MJ057774 ?-Lumicolchicine; N-Me C23H27NO6 413.183837 NA MeJP NA NA +MJ057775 AK toxin I C23H27NO6 413.183837 NA MeJP NA NA +MJ057776 Ambinine C23H27NO6 413.183837 NA MeJP NA NA +MJ057777 Antibiotic 3543 R1 C23H27NO6 413.183837 NA MeJP NA NA +MJ057778 Glaucamine; Et ether C23H27NO6 413.183837 NA MeJP NA NA +MJ057779 Miyaconitine; 7-Ketone C23H27NO6 413.183837 NA MeJP NA NA +MJ057780 Oreogenine; Et ether C23H27NO6 413.183837 NA MeJP NA NA +MJ057781 Protostemonine; 1,9a,2,3-Tetradehydro C23H27NO6 413.183837 NA MeJP NA NA +MJ057782 Solidaline C23H27NO6 413.183837 NA MeJP NA NA +MJ057783 Triniifoline; 14-Et ether C23H27NO6 413.183837 NA MeJP NA NA +MJ057784 Mecambridine, N-Me C23H28NO6(+) 413.183837 NA MeJP NA NA +MJ057785 Flufylline C21H24FN5O3 413.186317 NA MeJP NA NA +MJ057786 Lupitidine C21H27N5O2S 413.188545 NA MeJP NA NA +PJ001077 SPPN C17H27N5O7 413.1911 NA PeJP NA NA +MJ057787 Fluspiperone C23H25F2N3O2 413.191483 NA MeJP NA NA +MJ057788 N-[1-[4-(4-Fluorophenoxy)butyl]-4-piperidinyl]-N-methyl-2-benzothiazolamine C23H28FN3OS 413.193711 NA MeJP NA NA +PJ001078 TFF C22H27N3O5 413.1951 NA PeJP NA NA +MJ057789 Echihumiline; N-Oxide C20H31NO8 413.204966 NA MeJP NA NA +MJ057790 Echimidine; N-Oxide C20H31NO8 413.204966 NA MeJP NA NA +MJ057791 Heliosupine; N-Oxide C20H31NO8 413.204966 NA MeJP NA NA +MJ057792 Pagisulfine C23H31N3O2S 413.213697 NA MeJP NA NA +3763 NA LNPA 413.2159 ACE inhibitor Inhouse_peptide NA peptide +MJ057793 2-[[5-Methyl-5-(1H-tetrazol-5-yl)hexyl]oxy]-4,6-diphenylpyridine C25H27N5O 413.22156 NA MeJP NA NA +2631 synthetic fr, of human beta-CN (46-52) ACE inhibitor PQPLIYP 413.2225 MH2+ Inhouse_peptide NA peptide +PJ001079 GPLQ C18H31N5O6 413.2275 NA PeJP NA NA +MJ057794 Dodecyldimethyl(2-phenoxyethyl)ammonium(1+); Bromide C22H40BrNO 413.229327 NA MeJP NA NA +MJ057795 Alkaloid TC-D C23H31N3O4 413.231456 NA MeJP NA NA +MJ057796 Lasofoxifene C28H31NO2 413.235479 NA MeJP NA NA +PJ001080 AAPR C17H31N7O5 413.2387 NA PeJP NA NA +MJ057797 Tryptophyllin L 1.1 C22H31N5O3 413.242689 NA MeJP NA NA +8106 peptide derived from dried bonito PKAV 413.251 ACE inhibitor Inhouse_peptide NA peptide +2579 tenecin-1 (35-43) NGKRVCVCR~ 413.25595 MH2+ Inhouse_peptide NA peptide +2582 tenecin-1 (34-43) CNGKRVCVCR~ 413.25595 MH2+ Inhouse_peptide NA peptide +MJ057798 Alprafenone C25H35NO4 413.256608 NA MeJP NA NA +MJ057799 Antibiotic LL-49F233? C25H35NO4 413.256608 NA MeJP NA NA +MJ057800 Kobusine; 6-Hydroxy, O15-(2S-methylbutanoyl) C25H35NO4 413.256608 NA MeJP NA NA +MJ057801 Phomasetin C25H35NO4 413.256608 NA MeJP NA NA +MJ057802 Spiramine J; 15-Ac C25H35NO4 413.256608 NA MeJP NA NA +MJ057803 Spiramine J; 7-Ac C25H35NO4 413.256608 NA MeJP NA NA +MJ057804 Yuzurimine B; 9,22-Didehydro, N-oxide C25H35NO4 413.256608 NA MeJP NA NA +MJ057805 Spongidine A; 17-Acetoxy C25H36NO4(+) 413.256608 NA MeJP NA NA +PJ001081 GPLK C19H35N5O5 413.2638 NA PeJP NA NA +MJ057806 1-[15-(3,4-Methylenedioxyphenyl)-14-pentadecenoyl]pyrrolidine C26H39NO3 413.292994 NA MeJP NA NA +MJ057807 Antibiotic AB 4015B C26H39NO3 413.292994 NA MeJP NA NA +MJ057808 Antibiotic AB 4063B C26H39NO3 413.292994 NA MeJP NA NA +MJ057809 Brachystamide B, 14,15-Dihydro C26H39NO3 413.292994 NA MeJP NA NA +MJ057810 Metachromin H C26H39NO3 413.292994 NA MeJP NA NA +MJ057811 Piericidin; Piericidin A3, 5-Demethoxy C26H39NO3 413.292994 NA MeJP NA NA +MJ057812 Smenospongine; 5'-Epimer, N-(3-methylbutyl) C26H39NO3 413.292994 NA MeJP NA NA +MJ057813 Smenospongine; N-(3-Methylbutyl) C26H39NO3 413.292994 NA MeJP NA NA +MJ057814 Smenospongine; N-Pentyl C26H39NO3 413.292994 NA MeJP NA NA +HMDB13333 3-Hydroxy-9-hexadecenoylcarnitine C23H43NO5 413.314117 NA HMDB2010 NA NA +MJ057815 13(17)-Cevenine-3,6-diol C27H43NO2 413.329379 NA MeJP NA NA +MJ057816 16,28-Secosolanida-5,22(28)-diene-3,16-diol C27H43NO2 413.329379 NA MeJP NA NA +MJ057817 3,6-Cevanediol, 6-Ketone C27H43NO2 413.329379 NA MeJP NA NA +MJ057818 3,6-Cevanediol, 3-Ketone C27H43NO2 413.329379 NA MeJP NA NA +MJ057819 3,6-Cevanediol, 6-Ketone C27H43NO2 413.329379 NA MeJP NA NA +MJ057820 3,6-Cevanediol, 3-Ketone C27H43NO2 413.329379 NA MeJP NA NA +MJ057821 3,6-Cevanediol, 6-Ketone C27H43NO2 413.329379 NA MeJP NA NA +MJ057822 Cholest-4-ene-3,6-dione; 6-Oxime (E-) C27H43NO2 413.329379 NA MeJP NA NA +MJ057823 Cordiline C27H43NO2 413.329379 NA MeJP NA NA +MJ057824 Isorubijervine C27H43NO2 413.329379 NA MeJP NA NA +MJ057825 Korselimine C27H43NO2 413.329379 NA MeJP NA NA +MJ057826 Korseveridinine C27H43NO2 413.329379 NA MeJP NA NA +MJ057827 Korsidine C27H43NO2 413.329379 NA MeJP NA NA +MJ057828 Korsinine C27H43NO2 413.329379 NA MeJP NA NA +MJ057829 Leptinidine C27H43NO2 413.329379 NA MeJP NA NA +MJ057830 Petiline C27H43NO2 413.329379 NA MeJP NA NA +MJ057831 Rubijervine C27H43NO2 413.329379 NA MeJP NA NA +MJ057832 Severzine C27H43NO2 413.329379 NA MeJP NA NA +MJ057833 Solacongestidine; 23-Oxo C27H43NO2 413.329379 NA MeJP NA NA +MJ057834 Solacongestidine; 24-Oxo C27H43NO2 413.329379 NA MeJP NA NA +MJ057835 Solanidine; 27-Hydroxy C27H43NO2 413.329379 NA MeJP NA NA +MJ057836 Solasodenone; 4,5?-Dihydro C27H43NO2 413.329379 NA MeJP NA NA +MJ057837 Spirosol-5-en-3-ol C27H43NO2 413.329379 NA MeJP NA NA +MJ057838 Spirosolan-3-ol, 3-Ketone C27H43NO2 413.329379 NA MeJP NA NA +MJ057839 Spirostan-3-amine, 5,6-Didehydro C27H43NO2 413.329379 NA MeJP NA NA +MJ057840 Stenanzamine C27H43NO2 413.329379 NA MeJP NA NA +MJ057841 Tomatillidine; 5?,6-Dihydro C27H43NO2 413.329379 NA MeJP NA NA +MJ057842 Veraflorizine C27H43NO2 413.329379 NA MeJP NA NA +MJ057843 Veralkamine C27H43NO2 413.329379 NA MeJP NA NA +MJ057844 Verazine; 25?-Hydroxy C27H43NO2 413.329379 NA MeJP NA NA +MJ057845 Verazine; 4?-Hydroxy C27H43NO2 413.329379 NA MeJP NA NA +C10822 Solasodine C27H43NO2 413.3294 NA KEGG NA NA +HMDB12172 4Alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol C28H45O2 413.341949 NA HMDB2010 NA NA +HMDB06885 Cholesterol ester C28H45O2 413.34195 http://www.hmdb.ca/metabolites/HMDB06885 HMDB NA NA +HMDB06885 Cholesterol ester C28H45O2 413.34195 HMDB06885 PFEM_hmdb_metabocards_official NA NA +HMDB06210 Heptadecanoyl carnitine C24H47NO4 413.350494 NA HMDB2010 NA NA +MJ057846 Pahutoxin, O-De-Ac, O-propanoyl C24H48NO4(+) 413.350509 NA MeJP NA NA +HMDB06210 Heptadecanoate carnitine C24H47NO4 413.35052 http://www.hmdb.ca/metabolites/HMDB06210 HMDB NA NA +HMDB06210 Heptadecanoate carnitine C24H47NO4 413.35052 HMDB06210 PFEM_hmdb_metabocards_official NA NA +MJ057847 Inandenin-10-one; 10-Alcohol, 11-hydroxy C23H47N3O3 413.361742 NA MeJP NA NA +MJ057848 15-Azasterol; 24,28-Dihydro C28H47NO 413.365765 NA MeJP NA NA +MJ057849 3-(7,16-Tricosadienyl)-1H-pyrrole-2-carboxaldehyde C28H47NO 413.365765 NA MeJP NA NA +MJ057850 Zinc iodate I2O6Zn 413.707571 NA MeJP NA NA +MJ057851 Tin(II) pyrophosphate (Sn2P2O7) O7P2Sn2 413.716318 NA MeJP NA NA +MJ057852 (2,5-Dibromo-1,4,6-trichloro-1,5-dimethylhexyl)oxirane C10H15Br2Cl3O 413.855523 NA MeJP NA NA +MJ057853 4-Bromo-3-(1-hydroxybutyl)-5-(iodomethylene)-2(5H)-furanone, Ac C11H12BrIO4 413.896364 NA MeJP NA NA +MJ057854 Haloxon C14H14Cl3O6P 413.959357 NA MeJP NA NA +MJ057855 Isoconazole C18H14Cl4N2O 413.986023 NA MeJP NA NA +MJ057856 Miconazole C18H14Cl4N2O 413.986023 NA MeJP NA NA +MetaCyc03443 miconazole [1-(2,4-dichloro-β-((2,4-dichlorobenzyl)oxy)phenethyl) imidazole;1H-imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl) methoxy)ethyl)-;imidazole, 1-(2,4-dichloro-β-((2,4-dichlorobenzyl)oxy) phenethyl)-;imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl) methoxy)ethyl)- (9CI);] C18H14N2O1CL4 413.986024 NA metacyc NA NA +MJ057857 Geodoxin C17H12Cl2O8 413.990922 NA MeJP NA NA +MJ057858 Gillusdin C17H12Cl2O8 413.990922 NA MeJP NA NA +MJ057859 Caespitol; 8-Deoxy C15H25Br2ClO 413.996068 NA MeJP NA NA +MJ057860 Isocaespitol; Deoxy C15H25Br2ClO 413.996068 NA MeJP NA NA +C10943 Chlorimuron ethyl C15H15ClN4O6S 414.0401 NA KEGG NA NA +MJ057861 Halenaquinol; O16-Sulfate C20H14O8S 414.040938 NA MeJP NA NA +C11170 Sulbenicillin C16H18N2O7S2 414.0555 NA KEGG NA NA +MJ057862 Sulbenicillin C16H18N2O7S2 414.055542 NA MeJP NA NA +MJ057863 Temocillin C16H18N2O7S2 414.055542 NA MeJP NA NA +PJ001082 SCCC C12H22N4O6S3 414.0702 NA PeJP NA NA +C04712 (7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate C16H18N2O9S 414.0733 NA KEGG NA NA +MJ057864 Antibiotic C4; Ac C16H18N2O9S 414.0733 NA MeJP NA NA +MetaCyc03444 7-(5-carboxyl-5-oxopentanyl)-aminocephalosporinate [(7R)-7-(5-carboxy-5-oxopentanoyl)aminocephalosporinate;] C16H18N2O9S1 414.073301 NA metacyc NA NA +MJ057865 5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 5-O-(6-O-Acetyl-?-D-glucopyranoside) C17H18O12 414.079826 NA MeJP NA NA +MJ057866 Talniflumate C21H13F3N2O4 414.082741 NA MeJP NA NA +FL3FAACS0005 3'-Deoxyderhamnosylmaysin C21H18O9 414.09508 - knapsack NA NA +FL3FAAGS0063 Pinnatifinoside A;(2R,3S,4S,5R)-4,5-Dihydro-3,4,5'-trihydroxy-5-(hydroxymethyl)-2'-(4-hydroxyphenyl)-spiro[furan-2(3H),8'(9'H)-[4H]furo[2,3-h][1]benzopyran]-4'-one C21H18O9 414.09508 366472-57-3 knapsack NA NA +FL63ACNC0005 Prodelphinidin B6 C21H18O9 414.09508 61541-02-4 knapsack NA NA +MJ057867 3,3',4',5,7-Pentahydroxy-4-(2,4,6-trihydroxyphenyl)flavan C21H18O9 414.095082 NA MeJP NA NA +MJ057868 Antibiotic TAN 1612 C21H18O9 414.095082 NA MeJP NA NA +MJ057869 Mitorubrinic acid B C21H18O9 414.095082 NA MeJP NA NA +MJ057870 Premithramycinone C21H18O9 414.095082 NA MeJP NA NA +MJ057871 Stictic acid; 1'-Et ether C21H18O9 414.095082 NA MeJP NA NA +MJ057872 Versicorufin C21H18O9 414.095082 NA MeJP NA NA +MJ057873 ?1-Pyrromycinone C21H18O9 414.095082 NA MeJP NA NA +C12383 Premithramycinone C21H18O9 414.0951 NA KEGG NA NA +MJ057874 Interruptin E; 1-Ketone C25H18O6 414.110338 NA MeJP NA NA +MJ057875 Sphagnorubin A; 3',11-Di-Me ether C25H18O6 414.110338 NA MeJP NA NA +C09769 Asperuloside C18H22O11 414.1162 NA KEGG NA NA +MJ057876 Asperuloside C18H22O11 414.116211 NA MeJP NA NA +C16999 Futalosine C19H18N4O7 414.1175 NA KEGG NA NA +MJ057877 Futalosine C19H18N4O7 414.117548 NA MeJP NA NA +MJ057878 Rubrorotiorin C23H23ClO5 414.123401 NA MeJP NA NA +C07250 Nafcillin C21H22N2O5S 414.1249 NA KEGG NA NA +MJ057879 Nafcillin C21H22N2O5S 414.124942 NA MeJP NA NA +FL1A1AGM0001 6,4'-Dihydroxy-7-methylaurone 6-rhamnoside C22H22O8 414.13146 124901-82-2 knapsack NA NA +FL2FACNI0018 Kanzonol S;5,7,3',4'-Tetrahydroxy-8-[4-(acetyloxy)-3-methyl-2-butenyl]flavanone C22H22O8 414.13146 180318-50-7 knapsack NA NA +FL3FCACS0028 Aciculatin C22H22O8 414.13146 134044-97-6 knapsack NA NA +FL5FDDNI0001 Quercetin 3,3'-dimethyl ether 4'-(2-methylbutyrate) C22H22O8 414.13146 78516-74-2 knapsack NA NA +FL5FDDNI0002 Quercetin 3,3'-dimethyl ether 4'-isovalerate C22H22O8 414.13146 78516-75-3 knapsack NA NA +FL5FFCNI0008 3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one C22H22O8 414.13146 232932-39-7 knapsack NA NA +FL5FFCNI0009 3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone C22H22O8 414.13146 - knapsack NA NA +FLIFHXNF0012 Volubinol C22H22O8 414.13146 93290-65-4 knapsack NA NA +MJ057880 1,2-Dicoumaroylglycerol, 3''-Methoxy C22H22O8 414.131467 NA MeJP NA NA +MJ057881 1,2-Dicoumaroylglycerol, 3'-Methoxy C22H22O8 414.131467 NA MeJP NA NA +MJ057882 1,3-Dicoumaroylglycerol, 3'-Methoxy C22H22O8 414.131467 NA MeJP NA NA +MJ057883 2-(1,3-Benzodioxol-5-yl)-3,4-dihydro-3,4,5,6-tetramethoxy-2H-furo[2,3-h]-1-benzopyran C22H22O8 414.131467 NA MeJP NA NA +MJ057884 3',4',5,7-Tetrahydroxy-8-prenylflavanone, 4''-Acetoxy C22H22O8 414.131467 NA MeJP NA NA +MJ057885 3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, Tetra-Me ether C22H22O8 414.131467 NA MeJP NA NA +MJ057886 3,3',4',5,7,8-Hexahydroxy-6-prenylflavone; 3',7-Di-Me ether C22H22O8 414.131467 NA MeJP NA NA +MJ057887 3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 7-O-(3-Methyl-2-butenyl) C22H22O8 414.131467 NA MeJP NA NA +MJ057888 4',5,7-Trihydroxy-3,3'-dimethoxyflavone; 4'-O-(2-Methylbutanoyl) C22H22O8 414.131467 NA MeJP NA NA +MJ057889 4',5,7-Trihydroxy-3,3'-dimethoxyflavone; 4'-O-(3-Methylbutanoyl) C22H22O8 414.131467 NA MeJP NA NA +MJ057890 4',6-Dihydroxy-7-methylaurone; 6-O-?-L-Rhamnopyranoside C22H22O8 414.131467 NA MeJP NA NA +MJ057891 7-(1,3-Benzodioxol-5-yl)-6,7-dihydro-4,5,6,9-tetramethoxy-5H-furo[3,2-g]-1-benzopyran C22H22O8 414.131467 NA MeJP NA NA +MJ057892 ?-Peltatin; 4'-Me ether C22H22O8 414.131467 NA MeJP NA NA +MJ057893 Aciculatin C22H22O8 414.131467 NA MeJP NA NA +MJ057894 Antibiotic C 112-III; 2 or 3-Methoxy, Me ester C22H22O8 414.131467 NA MeJP NA NA +MJ057895 Arboreol; 7-Et ether C22H22O8 414.131467 NA MeJP NA NA +MJ057896 Dalbinol; 1',3'-Dihydro, 9-O-de-Me C22H22O8 414.131467 NA MeJP NA NA +MJ057897 Dulxanthone F; 12-Methoxy C22H22O8 414.131467 NA MeJP NA NA +MJ057898 Edulone A C22H22O8 414.131467 NA MeJP NA NA +MJ057899 Excelsin C22H22O8 414.131467 NA MeJP NA NA +MJ057900 Heliobuphthalmin C22H22O8 414.131467 NA MeJP NA NA +MJ057901 Peperomin A C22H22O8 414.131467 NA MeJP NA NA +MJ057902 Piscerisoflavone A; 4'-Me ether C22H22O8 414.131467 NA MeJP NA NA +MJ057903 Piscerisoflavone C; 4'-Me ether C22H22O8 414.131467 NA MeJP NA NA +MJ057904 Podophyllotoxin C22H22O8 414.131467 NA MeJP NA NA +MJ057905 Salvianduline B; 7-Epimer, 7-Ac C22H22O8 414.131467 NA MeJP NA NA +MJ057906 Schizantherin P; 7-Ketone C22H22O8 414.131467 NA MeJP NA NA +MJ057907 Steganol C22H22O8 414.131467 NA MeJP NA NA +MJ057908 Teubrevin G C22H22O8 414.131467 NA MeJP NA NA +MJ057909 ?-Peltatin; 4'-Me ether C22H22O8 414.131467 NA MeJP NA NA +MJ057910 Lignin C22H22O8 414.131467 NA MeJP NA NA +C10871 Picropodophyllin C22H22O8 414.1315 NA KEGG NA NA +C10874 Podophyllotoxin C22H22O8 414.1315 NA KEGG NA NA +MJ057911 Cefrotil C20H22N4O4S 414.136175 NA MeJP NA NA +MJ057912 ?-D-Xylopyranosyl-(1?2)-?-D-xylopyranosyl-(1?4)-D-xylose C15H26O13 414.13734 NA MeJP NA NA +MJ057913 ?-D-Xylopyranosyl-(1?3)-?-D-xylopyranosyl-(1?3)-D-xylose C15H26O13 414.13734 NA MeJP NA NA +MJ057914 ?-D-Xylopyranosyl-(1?3)-?-D-xylopyranosyl-(1?4)-D-xylose C15H26O13 414.13734 NA MeJP NA NA +MJ057915 ?-D-Xylopyranosyl-(1?3)-?-L-arabinofuranosyl-(1?3)-L-arabinose C15H26O13 414.13734 NA MeJP NA NA +MJ057916 ?-D-Xylopyranosyl-(1?4)-?-D-xylopyranosyl-(1?2)-D-xylose C15H26O13 414.13734 NA MeJP NA NA +MJ057917 ?-D-Xylopyranosyl-(1?5)-?-L-arabinofuranosyl-(1?3)-L-arabinose C15H26O13 414.13734 NA MeJP NA NA +MJ057918 ?-D-Xylopyranosyl-(1?5)-?-L-arabinofuranosyl-(1?5)-L-arabinose C15H26O13 414.13734 NA MeJP NA NA +MJ057919 Xylotriose C15H26O13 414.13734 NA MeJP NA NA +MJ057920 ?-D-Arabinofuranosyl-(1?5)-?-D-arabinofuranosyl-(1?5)-D-arabinose C15H26O13 414.13734 NA MeJP NA NA +MJ057921 ?-D-Xylopyranosyl-(1?3)-?-L-arabinofuranosyl-(1?3)-L-arabinose C15H26O13 414.13734 NA MeJP NA NA +MJ057922 ?-L-Arabinofuranosyl-(1?3)-?-D-xylopyranosyl-(1?4)-D-xylose C15H26O13 414.13734 NA MeJP NA NA +MJ057923 ?-L-Arabinofuranosyl-(1?3)-[?-L-arabinofuranosyl-(1r5)]-L-arabinose C15H26O13 414.13734 NA MeJP NA NA +C07001 Flecainide C17H20F6N2O3 414.1378 NA KEGG NA NA +C07002 Transferred to D00322 C17H20F6N2O3 414.1378 NA KEGG NA NA +C07003 Transferred to D00323 C17H20F6N2O3 414.1378 NA KEGG NA NA +MJ057924 Flecainide C17H20F6N2O3 414.137811 NA MeJP NA NA +MJ057925 Clavamycin A C16H22N4O9 414.138678 NA MeJP NA NA +C06667 Clavamycin A C16H22N4O9 414.1387 NA KEGG NA NA +MJ057926 15-Bromo-4(19),9(11)-neopargueradiene-2,3,7,16-tetrol C20H31BrO4 414.140572 NA MeJP NA NA +MJ057927 2-Heptyl-1-cyclopropanepropanoic acid, (5-Acetoxy-4-bromo-1,3-pentadienyl) ester (Z,Z-) C20H31BrO4 414.140572 NA MeJP NA NA +MJ057928 Isoparguerol; O-De-Ac C20H31BrO4 414.140572 NA MeJP NA NA +MJ057929 6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; 6-Deoxy-?-L-glucopyranose-2-yl ester C21H22N2O7 414.142701 NA MeJP NA NA +MJ057930 6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; 6-Deoxy-?-L-glucopyranose-3-yl ester C21H22N2O7 414.142701 NA MeJP NA NA +MJ057931 Sancycline C21H22N2O7 414.142701 NA MeJP NA NA +MJ057932 Fostriecin; 13-Deoxy C19H27O8P 414.144354 NA MeJP NA NA +MJ057933 3-Chloro-1,10-epoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, O-(2,3-Dihydroxy-2-methylbutanoyl) C20H27ClO7 414.14453 NA MeJP NA NA +PJ001083 GSDH C15H22N6O8 414.1499 NA PeJP NA NA +MJ057934 1-O-Coumaroylglycerol, 4'-Me ether, 2-O-?-D-glucopyranoside C19H26O10 414.152597 NA MeJP NA NA +MJ057935 1-O-Coumaroylglycerol, 4'-Me ether, 3-O-?-D-glucopyranoside C19H26O10 414.152597 NA MeJP NA NA +MJ057936 4-Vinylphenol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C19H26O10 414.152597 NA MeJP NA NA +MJ057937 4-Vinylphenol; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C19H26O10 414.152597 NA MeJP NA NA +C06958 Diltiazem C22H26N2O4S 414.1613 NA KEGG NA NA +C06960 Transferred to D00300 C22H26N2O4S 414.1613 NA KEGG NA NA +MJ057938 Diltiazem C22H26N2O4S 414.161328 NA MeJP NA NA +FL2FADNI0005 Laxiflorin;5,7,4'-Trihydroxy-3'-methoxy-6-(beta-hydroxyethyl)-8-prenylflavanone C23H26O7 414.16785 180680-91-5 knapsack NA NA +FL2FALNI0017 Heteroflavanone C C23H26O7 414.16785 156127-36-5 knapsack NA NA +MJ057939 1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; 2'',3''-Dihydro, 3''-hydroxy C23H26O7 414.167853 NA MeJP NA NA +MJ057940 2',4',5,6',7-Pentahydroxy-8-prenylflavanone, 2',4',6'-Tri-Me ether C23H26O7 414.167853 NA MeJP NA NA +MJ057941 2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol, 3,4-Methylene, 3',5'-di-Me ether, Ac C23H26O7 414.167853 NA MeJP NA NA +MJ057942 2-Hydroxygarvin A C23H26O7 414.167853 NA MeJP NA NA +MJ057943 3,6-Dihydro-3,3',4,4',7-pentahydroxy-3,8'-bilign-8-en-6-one, 3',4'-Methylene, 3,4-di-Me ether, 7'-Ac C23H26O7 414.167853 NA MeJP NA NA +MJ057944 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(4-Hydroxy-2,4-dimethyl-2-pentenoyl) C23H26O7 414.167853 NA MeJP NA NA +MJ057945 8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8,11-Bis(2-methylpropenoyl) C23H26O7 414.167853 NA MeJP NA NA +MJ057946 Falconensin A; Bis(dechloro) C23H26O7 414.167853 NA MeJP NA NA +MJ057947 Grayanic acid C23H26O7 414.167853 NA MeJP NA NA +MJ057948 Hexademethylpyrimidatin A; Atropisomer, 4,5-methylene, 3,3',4',5'-tetra-Me ether C23H26O7 414.167853 NA MeJP NA NA +MJ057949 Hinokiresinol, 4''-O-?-D-Glucopyranoside C23H26O7 414.167853 NA MeJP NA NA +MJ057950 Hinokiresinol, 4'-O-?-D-Glucopyranoside C23H26O7 414.167853 NA MeJP NA NA +MJ057951 Khellactone, 9-Angeloyl, 10-O-(2-methylpropanoyl) C23H26O7 414.167853 NA MeJP NA NA +MJ057952 Mon A; 7-O-De-Ac, 7-O-formyl C23H26O7 414.167853 NA MeJP NA NA +MJ057953 Neoisostegane C23H26O7 414.167853 NA MeJP NA NA +MJ057954 Neokadsuranin C23H26O7 414.167853 NA MeJP NA NA +MJ057955 Penicillide, 1'-Ac C23H26O7 414.167853 NA MeJP NA NA +MJ057956 Picrolichenic acid; Lower homologue (1) C23H26O7 414.167853 NA MeJP NA NA +MJ057957 Picrolichenic acid; Lower homologue (2) C23H26O7 414.167853 NA MeJP NA NA +MJ057958 Purpactin B C23H26O7 414.167853 NA MeJP NA NA +MJ057959 Schizanlignone C C23H26O7 414.167853 NA MeJP NA NA +MJ057960 Steganoate A C23H26O7 414.167853 NA MeJP NA NA +MJ057961 Stenosporonic acid C23H26O7 414.167853 NA MeJP NA NA +MJ057962 Tinifolindiol C23H26O7 414.167853 NA MeJP NA NA +MJ057963 Vaginidiol; 3'-O-(2-Methylpropanoyl), 1''-O-angeloyl C23H26O7 414.167853 NA MeJP NA NA +C10707 Neoisostegane C23H26O7 414.1679 NA KEGG NA NA +PJ001084 QMH C16H26N6O5S 414.1686 NA PeJP NA NA +MJ057964 6,9,16-Trihydroxy-7-isopimaren-19-oic acid, 19?6 Lactone, 16-sulfate C20H30O7S 414.171224 NA MeJP NA NA +PJ001085 SPPD C17H26N4O8 414.1751 NA PeJP NA NA +MJ057965 Bromotetrasphaerol; 12?-Hydroxy, 1-Me ether C21H35BrO3 414.176957 NA MeJP NA NA +MJ057966 1-[2-(5-Fluoro-1H-indol-3-yl)ethyl]-4-methoxy-4-[(phenylsulfinyl)methyl]piperidine C23H27FN2O2S 414.177727 NA MeJP NA NA +MJ057967 11,12-Methylenedioxykopsinaline; N4-Oxide C22H26N2O6 414.179086 NA MeJP NA NA +MJ057968 Alkaloid Us 7; 3-Epimer C22H26N2O6 414.179086 NA MeJP NA NA +MJ057969 Alstonal C22H26N2O6 414.179086 NA MeJP NA NA +MJ057970 Difforlemenitine C22H26N2O6 414.179086 NA MeJP NA NA +MJ057971 Elegantissine; Stereoisomer, parent acid(1) C22H26N2O6 414.179086 NA MeJP NA NA +MJ057972 Elegantissine; Stereoisomer, parent acid(2) C22H26N2O6 414.179086 NA MeJP NA NA +MJ057973 Isocaboxine A; 7-Epimer, N-oxide C22H26N2O6 414.179086 NA MeJP NA NA +MJ057974 Isocaboxine A; N-Oxide C22H26N2O6 414.179086 NA MeJP NA NA +MJ057975 Majdine; O11-De-Me C22H26N2O6 414.179086 NA MeJP NA NA +PJ001086 CHR C15H26N8O4S 414.1798 NA PeJP NA NA +MJ057976 2-[Propyl[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]amino]-3-pyridinecarboxylic acid C23H22N6O2 414.180423 NA MeJP NA NA +MJ057977 Tisocromide C19H30N2O6S 414.182457 NA MeJP NA NA +MJ057978 Spirasineol B; 3',4'-Didehydro C27H26O4 414.183109 NA MeJP NA NA +PJ001087 GTTH C16H26N6O7 414.1863 NA PeJP NA NA +MJ057979 1,4,6,8,15-Pentahydroxy-11(13)-eudesmen-12-oic acid, 8-(2-Hydroxymethyl-2-propenoyl), Me ester C20H30O9 414.188982 NA MeJP NA NA +MJ057980 2-Methyl-6-methylene-2-octene-1,8-diol, 1-Aldehyde, 8-O-(2,6-diacetyl-?-D-glucopyranoside) C20H30O9 414.188982 NA MeJP NA NA +PJ001088 APPM C18H30N4O5S 414.1937 NA PeJP NA NA +C18128 Naltrindole C26H26N2O3 414.1943 NA KEGG NA NA +C18129 Monolysocardiolipin C12H19O16P2R3 414.1943 NA KEGG NA NA +MJ057981 Naltrindole C26H26N2O3 414.194342 NA MeJP NA NA +C10658 Magnoshinin C24H30O6 414.2042 NA KEGG NA NA +C12512 Eplerenone C24H30O6 414.2042 NA KEGG NA NA +C12513 Transferred to D01116 C24H30O6 414.2042 NA KEGG NA NA +C12514 Transferred to D01117 C24H30O6 414.2042 NA KEGG NA NA +C12515 Transferred to D01118 C24H30O6 414.2042 NA KEGG NA NA +C12517 Transferred to D01119 C24H30O6 414.2042 NA KEGG NA NA +C15382 Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate C24H30O6 414.2042 NA KEGG NA NA +C15440 Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate C24H30O6 414.2042 NA KEGG NA NA +MJ057982 1,2,9-Trihydroxydihydro-?-agarofuran, 2-Ketone, 9-benzoyl, 1-Ac, C24H30O6 414.204238 NA MeJP NA NA +MJ057983 1,6,13-Trihydroxy-12,11-drimanolide, 1-Deoxy, 6-benzoyl, 13-Ac C24H30O6 414.204238 NA MeJP NA NA +MJ057984 14,16-Dihydroxy-3,19-dioxobufa-20,22-dienolide C24H30O6 414.204238 NA MeJP NA NA +MJ057985 2',3,4,4',5',6-Hexahydroxy-2,7'-cyclolign-7-ene, Hexa-Me ether C24H30O6 414.204238 NA MeJP NA NA +MJ057986 3,11,14-Trihydroxy-12-oxobufa-9(11),20,22-trienolide C24H30O6 414.204238 NA MeJP NA NA +MJ057987 3,14,16-Trihydroxy-19-oxobufa-4,20,22-trienolide C24H30O6 414.204238 NA MeJP NA NA +MJ057988 3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 3-Angeloyl, 6-(2-methylpropanoyl) C24H30O6 414.204238 NA MeJP NA NA +MJ057989 3,6-Dihydroxyfuranoeremophilan-9-one, 3-(3-Methyl-2-butenoyl), 6-(2-methyl-2-propenoyl) C24H30O6 414.204238 NA MeJP NA NA +MJ057990 3,6-Dihydroxyfuranoeremophilan-9-one, 3-Angeloyl, 6-(2-methyl-2-propenoyl) C24H30O6 414.204238 NA MeJP NA NA +MJ057991 3,6-Dihydroxyfuranoeremophilan-9-one, 3-Tigloyl, 6-(2-methyl-2-propenoyl) C24H30O6 414.204238 NA MeJP NA NA +MJ057992 3,6-Dihydroxyfuranoeremophilan-9-one, 3-(2-Methyl-2-propenoyl), 6-angeloyl C24H30O6 414.204238 NA MeJP NA NA +MJ057993 3,6-Dihydroxyfuranoeremophilan-9-one, 3-(2-Methyl-2-propenoyl), 6-tigloyl C24H30O6 414.204238 NA MeJP NA NA +MJ057994 5,14,16-Trihydroxy-19-oxobufa-3,20,22-trienolide C24H30O6 414.204238 NA MeJP NA NA +MJ057995 5,6-Dihydroxy-7-protoilluden-14-al, 5-(2-Hydroxy-4-methoxy-6-methylbenzoyl) C24H30O6 414.204238 NA MeJP NA NA +MJ057996 5,6-Dihydroxy-7-protoilluden-14-al, 6-Me ether, 5-(2,4-dihydroxy-6-methylbenzoyl) C24H30O6 414.204238 NA MeJP NA NA +MJ057997 5,9-Dihydroxy-7-protoilluden-14-al, 5-(2-Hydroxy-4-methoxy-6-methylbenzoyl) C24H30O6 414.204238 NA MeJP NA NA +MJ057998 9,11-Epoxy-17-hydroxy-3-oxopregn-4-ene-7,21-dicarboxylic acid; ? -Lactone; Me ester C24H30O6 414.204238 NA MeJP NA NA +MJ057999 Bufotalinin C24H30O6 414.204238 NA MeJP NA NA +MJ058000 Celereoin; 5-O-(6,7-Epoxy-3,7-dimethyl-3-octenyl) C24H30O6 414.204238 NA MeJP NA NA +MJ058001 Clausarin; 6,7-Dihydro, 6,7-dihydroxy (trans-) C24H30O6 414.204238 NA MeJP NA NA +MJ058002 Marmin, 6'-O-Angeloyl C24H30O6 414.204238 NA MeJP NA NA +MJ058003 Myrtucommulone B C24H30O6 414.204238 NA MeJP NA NA +PJ001089 KMH C17H30N6O4S 414.2049 NA PeJP NA NA +PJ001090 GPLE C18H30N4O7 414.2115 NA PeJP NA NA +3531 ACE inhibitor from as1-CN PLW 414.215 ACE inhibitor Inhouse_peptide NA peptide +8044 synthetic peptide PWI 414.215 anticancer Inhouse_peptide NA peptide +8045 synthetic peptide PWL 414.215 anticancer Inhouse_peptide NA peptide +8187 peptide from buckwheat WPL 414.215 NA ;SYN:Monoiodotyrosine; 3-Iodo-L-tyrosine; MIT; 3-Monoiodo-L-tyrosine; 3-Iodotyrosine; 3-Iodo-4-hydroxyphenylalanine; IYR; 3-iodo-tyrosine; (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid; 4-Hydroxy-3-iodophenylalanine; L-Tyrosine-3-iodo; (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoateH2Blood Inhouse_peptide NA peptide +MJ058004 13-Hydroxylupanine; O-(3-Hydroxy-4-methoxybenzoyl) C23H30N2O5 414.215472 NA MeJP NA NA +MJ058005 13-Hydroxylupanine; O-(4-Hydroxy-3-methoxybenzoyl) C23H30N2O5 414.215472 NA MeJP NA NA +MJ058006 20-Hydroxycylindrocarine; N-Ac C23H30N2O5 414.215472 NA MeJP NA NA +MJ058007 Aspidoalbine; N-Depropanoyl, N-Ac C23H30N2O5 414.215472 NA MeJP NA NA +MJ058008 Chippiine C23H30N2O5 414.215472 NA MeJP NA NA +MJ058009 Conopharyngine; 19-Hydroxy C23H30N2O5 414.215472 NA MeJP NA NA +MJ058010 Conopharyngine; 3-Hydroxy C23H30N2O5 414.215472 NA MeJP NA NA +MJ058011 Coronaridine pseudoindoxyl; 10,11-Dimethoxy C23H30N2O5 414.215472 NA MeJP NA NA +MJ058012 Crassanine C23H30N2O5 414.215472 NA MeJP NA NA +MJ058013 Fepromide C23H30N2O5 414.215472 NA MeJP NA NA +MJ058014 Herbaine; 10-Methoxy C23H30N2O5 414.215472 NA MeJP NA NA +MJ058015 Jollyanine C23H30N2O5 414.215472 NA MeJP NA NA +MJ058016 Malagashanine; 12-Hydroxy C23H30N2O5 414.215472 NA MeJP NA NA +MJ058017 Malagashanine; 19-Epimer, 12-hydroxy C23H30N2O5 414.215472 NA MeJP NA NA +MJ058018 Mitragynine; ?1-Isomer, 7?-hydroxy C23H30N2O5 414.215472 NA MeJP NA NA +MJ058019 Reserpic acid; Me ester C23H30N2O5 414.215472 NA MeJP NA NA +MJ058020 Rotundifoline; 7-Epimer, Me ether C23H30N2O5 414.215472 NA MeJP NA NA +MJ058021 Rotundifoline; Me ether C23H30N2O5 414.215472 NA MeJP NA NA +MJ058022 Seredine C23H30N2O5 414.215472 NA MeJP NA NA +MJ058023 Strychnofendlerine; 12-Hydroxy, 11-methoxy C23H30N2O5 414.215472 NA MeJP NA NA +MJ058024 Vindoline, O-De-Ac C23H30N2O5 414.215472 NA MeJP NA NA +MetaCyc03445 17-O-deacetylvindoline [deacetylvindoline;] C23H30N2O5 414.215472 NA metacyc NA NA +C01091 Deacetylvindoline C23H30N2O5 414.2155 NA KEGG NA NA +PJ001091 GPNK C17H30N6O6 414.2227 NA PeJP NA NA +MJ058025 11,12-Dihydroxy-1(10)-spirovetiven-2-one, 12-O-?-D-Glucopyranoside C21H34O8 414.225368 NA MeJP NA NA +MJ058026 11,12-Dihydroxy-1(10)-spirovetiven-2-one, 11-O-?-D-Glucopyranoside C21H34O8 414.225368 NA MeJP NA NA +MJ058027 3,5,6,8,12,14,17-Heptahydroxypregnan-20-one C21H34O8 414.225368 NA MeJP NA NA +MJ058028 4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 4-Alcohol, 2,3,11?,13-tetrahydro, 4-O-?-D-glucopyranoside C21H34O8 414.225368 NA MeJP NA NA +MJ058029 4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 4-Alcohol, 2,3,11?,13-tetrahydro, 4-O-?-D-glucopyranoside C21H34O8 414.225368 NA MeJP NA NA +MJ058030 8,11-Dihydroxy-4-guaien-3-one, 8-Ketone, 11-O-?-D-glucopyranoside C21H34O8 414.225368 NA MeJP NA NA +MJ058031 8,11-Dihydroxy-4-guaien-3-one, 8-O-?-D-Glucopyranoside C21H34O8 414.225368 NA MeJP NA NA +MJ058032 Paciforgin C21H34O8 414.225368 NA MeJP NA NA +C08441 Tentoxin C22H30N4O4 414.2267 NA KEGG NA NA +PJ001092 PLW C22H30N4O4 414.2267 NA PeJP NA NA +MJ058033 Tentoxin C22H30N4O4 414.226705 NA MeJP NA NA +MJ058034 Yuzurine C24H32NO5 414.228048 NA MeJP NA NA +MJ058035 1-[3-(9H-Carbazol-9-yl)-1-propyl]-4-(2-methoxyphenyl)-4-piperidinol C27H30N2O2 414.230728 NA MeJP NA NA +MJ058036 Asimadoline C27H30N2O2 414.230728 NA MeJP NA NA +MJ058037 ?-Methyl-1-(2,3,4,9-tetrahydro-2-methyl-1H-carbazol-1-yl)-1H-indole-3-butanoic acid; Me ester C27H30N2O2 414.230728 NA MeJP NA NA +MJ058038 Eponemycin; 6''-Hydroxy C20H34N2O7 414.236601 NA MeJP NA NA +MJ058039 1(10),4-Germacradiene-6,8-diol, 8-(4-Hydroxy-3-methoxycinnamoyl)(E-) C25H34O5 414.240624 NA MeJP NA NA +MJ058040 1(10)-Guaiene-8,11-diol, 8-(4-Hydroxy-3-methoxycinnamoyl) C25H34O5 414.240624 NA MeJP NA NA +MJ058041 1,15-Dihydroxy-9,11(13)-chiloscyphadiene-8,12-dione; 1-O-(4-Methyl-2,4-nonadienoyl)(E,E-) C25H34O5 414.240624 NA MeJP NA NA +MJ058042 10,12-Dihydroxy-3-longipinen-5-one; 10?-form, 10,12-Diangeloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058043 13,16-Epoxy-2-hydroxy-7,13(16),14-labdatrien-18-oic acid; 2?-form, O-Angeloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058044 14,15-Epoxy-3-hydroxycard-20(22)-enolide, Ac C25H34O5 414.240624 NA MeJP NA NA +MJ058045 14,16-Epoxy-6-hydroxy-17-oxo-7,13(16),14-labdatrien-17,12-olide, 2-Methylbutanoyl C25H34O5 414.240624 NA MeJP NA NA +MJ058046 15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 18-Carboxylic acid, 19-angeloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058047 15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 19-Carboxylic acid, 18-angeloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058048 19-Norpregna-1,3,5(10),20-tetraen-3-ol; 3-O-?-D-Arabinopyranoside C25H34O5 414.240624 NA MeJP NA NA +MJ058049 3,12,14-Trihydroxybufa-4,20,22-trienolide, 3-Me ether C25H34O5 414.240624 NA MeJP NA NA +MJ058050 4,6-Dimethyl-7-[1,2,4a,5,6,7,8,8a-octahydro-7-hydroxy-3,6,8-trimethyl-2-(3-hydroxy-2-oxopropylidene)-1-naphthalenyl]-2,4,6-heptadienoic acid C25H34O5 414.240624 NA MeJP NA NA +MJ058051 8,10-Dihydroxy-3-longipinen-5-one, 10-Angeloyl, 8-tigloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058052 8,10-Dihydroxy-3-longipinen-5-one, 8,10-Bis-O-(3-methyl-2-butenoyl) C25H34O5 414.240624 NA MeJP NA NA +MJ058053 8,10-Dihydroxy-3-longipinen-5-one, 8,10-Diangeloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058054 8,10-Dihydroxy-3-longipinen-5-one, 8,10-Ditigloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058055 8,10-Dihydroxy-3-longipinen-5-one, 8-Angeloyl, 10-O-(3-methyl-2-butenoyl) C25H34O5 414.240624 NA MeJP NA NA +MJ058056 8,10-Dihydroxy-3-longipinen-5-one, 8-Angeloyl, 10-tigloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058057 8,10-Dihydroxy-3-longipinen-5-one, 8-Tigloyl, 10-O-(3-methyl-2-butenoyl) C25H34O5 414.240624 NA MeJP NA NA +MJ058058 8,11-Epoxy-7,11-dihydroxy-3,9,12-eunicellatrien-2-one, 7-(3-Methyl-2-butenoyl) C25H34O5 414.240624 NA MeJP NA NA +MJ058059 9,10-Dihydroxy-2,7-himachaladien-4-one, Diangeloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058060 9,10-Dihydroxy-3-longipinen-5-one, 9,10-Diangeloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058061 Crispatone C25H34O5 414.240624 NA MeJP NA NA +MJ058062 Demethylfurospongin 4 C25H34O5 414.240624 NA MeJP NA NA +MJ058063 Furanoeremophilane-1,6-diol, 1-Angeloyl, 6-(3-methyl-2-butenoyl) C25H34O5 414.240624 NA MeJP NA NA +MJ058064 Furanoeremophilane-1,6-diol, 6-Angeloyl, 1-(3-methyl-2-butenoyl) C25H34O5 414.240624 NA MeJP NA NA +MJ058065 Furanoeremophilane-1,6-diol, Bis(3-methyl-2-butenoyl) C25H34O5 414.240624 NA MeJP NA NA +MJ058066 Furanoeremophilane-1,6-diol, Diangeloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058067 Furanoeremophilane-2,3-diol, 2,3-Diangeloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058068 Furanoeremophilane-2,3-diol, 2-Angeloyl, 3-(3-methyl-2-butenoyl) C25H34O5 414.240624 NA MeJP NA NA +MJ058069 Furanoeremophilane-3,15-diol, 3,15-Diangeloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058070 Furanoeremophilane-3,6-diol, 3,6-Di-O-angeloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058071 Furanoeremophilane-3,6-diol, 3-(3-Methyl-2-butenoyl), 6-angeloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058072 Furanoeremophilane-3,6-diol, 6-(3-Methyl-2-butenoyl), 3-angeloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058073 Furanoeremophilane-3,6-diol, 6-Tigloyl, 3-(3-methyl-2-butenoyl) C25H34O5 414.240624 NA MeJP NA NA +MJ058074 Furanoeremophilane-3,6-diol, Bis(3-methyl-2-butenoyl) C25H34O5 414.240624 NA MeJP NA NA +MJ058075 Furanoeremophilane-3,9-diol, 3-Angeloyl, 9-(3-methyl-2-butenoyl) C25H34O5 414.240624 NA MeJP NA NA +MJ058076 Ingenol; 20-Deoxy, 3-angeloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058077 Ingenol; 20-Deoxy, 5-angeloyl C25H34O5 414.240624 NA MeJP NA NA +MJ058078 Iryelliptin C25H34O5 414.240624 NA MeJP NA NA +MJ058079 Jaspiferal C C25H34O5 414.240624 NA MeJP NA NA +MJ058080 Luffarin R C25H34O5 414.240624 NA MeJP NA NA +MJ058081 Maurapyrone C C25H34O5 414.240624 NA MeJP NA NA +MJ058082 Tridachiapyrone A; 9?,10?-Epoxide C25H34O5 414.240624 NA MeJP NA NA +MJ058083 Variabilin, 4-Hydroxy C25H34O5 414.240624 NA MeJP NA NA +MJ058084 5-(13-Methylpentadecyl)-1,3-benzenediol; Mono-O-sulfate C22H38O5S 414.243995 NA MeJP NA NA +MJ058085 5-(14-Methylpentadecyl)-1,3-benzenediol; Mono-O-sulfate C22H38O5S 414.243995 NA MeJP NA NA +PJ001093 SPVL C19H34N4O6 414.2479 NA PeJP NA NA +MJ058086 Ascorbic acid, 6-Hexadecanoyl C22H38O7 414.261753 NA MeJP NA NA +MJ058087 Feigrisolide D C22H38O7 414.261753 NA MeJP NA NA +MJ058088 1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine C28H34N2O 414.267113 NA MeJP NA NA +MJ058089 Epopromycin A; 6,7-Dihydro C21H38N2O6 414.272986 NA MeJP NA NA +C11171 Sodium deoxycholate C24H39O4 414.2746 NA KEGG NA NA +C10706 Lupulone C26H38O4 414.277 NA KEGG NA NA +MJ058090 21-Hydroxypregn-4-ene-3,20-dione; 2,2-Dimethylpropanoyl C26H38O4 414.277009 NA MeJP NA NA +MJ058091 22-Hydroxy-24-methyl-12,24-dioxo-16-scalaren-25-al C26H38O4 414.277009 NA MeJP NA NA +MJ058092 4,17-Dihydroxyestr-4-en-3-one; 17?-form, 17-Cyclopentanepropanoyl C26H38O4 414.277009 NA MeJP NA NA +MJ058093 9,13-Dihydroxy-1,6-tigliadien-3-one, 13-(2,3-Dimethylbutanoyl) C26H38O4 414.277009 NA MeJP NA NA +MJ058094 Adlupulone C26H38O4 414.277009 NA MeJP NA NA +MJ058095 Aglajne 3 C26H38O4 414.277009 NA MeJP NA NA +MJ058096 Gestronol; 17-Hexanoyl C26H38O4 414.277009 NA MeJP NA NA +MJ058097 Hyperpapuanone C26H38O4 414.277009 NA MeJP NA NA +MJ058098 Lupulone C26H38O4 414.277009 NA MeJP NA NA +MJ058099 Meliac-14-ene-1,3,7-triol C26H38O4 414.277009 NA MeJP NA NA +MJ058100 Plakinic acid C C26H38O4 414.277009 NA MeJP NA NA +MJ058101 Trifurcatol B1, Dihydro C26H38O4 414.277009 NA MeJP NA NA +MetaCyc03446 lupulone [3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-;] C26H38O4 414.27701 NA metacyc NA NA +PJ001094 GLLL C20H38N4O5 414.2842 NA PeJP NA NA +MJ058102 2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,20,22-tetracosaundecaen-1-al C30H38O 414.292265 NA MeJP NA NA +MJ058103 Moxipraquine C24H38N4O2 414.299476 NA MeJP NA NA +MJ058104 12-Hydroxy-20,24-dimethyl-17-scalaren-25,24-olide C27H42O3 414.313395 NA MeJP NA NA +MJ058105 20-Hydroxycholest-1-ene-3,16-dione C27H42O3 414.313395 NA MeJP NA NA +MJ058106 20-Hydroxycholest-1-ene-7,11-dione C27H42O3 414.313395 NA MeJP NA NA +MJ058107 22-Hydroxyfurost-1-en-3-one; 22?-form C27H42O3 414.313395 NA MeJP NA NA +MJ058108 24,25-Epoxy-6-hydroxycholest-4-en-3-one C27H42O3 414.313395 NA MeJP NA NA +MJ058109 3,25-Dihydroxy-9,10-secocholesta-5,7,10(19)-trien-23-one C27H42O3 414.313395 NA MeJP NA NA +MJ058110 3,25-Dihydroxy-9,10-secocholesta-5,7,10(19)-trien-24-one C27H42O3 414.313395 NA MeJP NA NA +MJ058111 3,5-Dihydroxycholesta-7,22-dien-6-one C27H42O3 414.313395 NA MeJP NA NA +MJ058112 3,6-Dihydroxy-17-methyl-18-norcholesta-9(11),13-dien-23-one C27H42O3 414.313395 NA MeJP NA NA +MJ058113 3,6-Dihydroxycholesta-7,25-dien-24-one C27H42O3 414.313395 NA MeJP NA NA +MJ058114 3,6-Dihydroxycholesta-9(11),20(22)-dien-23-one C27H42O3 414.313395 NA MeJP NA NA +MJ058115 3,6-Dihydroxycholesta-9(11),24-dien-23-one C27H42O3 414.313395 NA MeJP NA NA +MJ058116 3-(3,6,9,12-Docosatetraenyl)-5-hydroxy-5-methyl-2(5H)-furanone C27H42O3 414.313395 NA MeJP NA NA +MJ058117 3-Hydroxy-20,29,30-trinor-28,19-lupanolide C27H42O3 414.313395 NA MeJP NA NA +MJ058118 3-Hydroxy-25,26,27-trinorlanost-9(11)-en-24-oic acid; 3?-form, 3-Ketone C27H42O3 414.313395 NA MeJP NA NA +MJ058119 3-Hydroxycholest-5-ene-7,24-dione C27H42O3 414.313395 NA MeJP NA NA +MJ058120 4-[4-(1,1-Dimethylheptyl)-2,6-dimethoxyphenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-methanol C27H42O3 414.313395 NA MeJP NA NA +MJ058121 5,6-Epoxy-3-hydroxycholest-8(14)-en-7-one C27H42O3 414.313395 NA MeJP NA NA +MJ058122 5,6-Epoxycholest-8-ene-3,7-diol, 22,23-Didehydro (E-) C27H42O3 414.313395 NA MeJP NA NA +MJ058123 5,8-Epidioxycholesta-6,22-dien-3-ol C27H42O3 414.313395 NA MeJP NA NA +MJ058124 5,8-Epidioxycholesta-6,9(11),22-trien-3-ol, 22,23-Dihydro C27H42O3 414.313395 NA MeJP NA NA +MJ058125 8,25-Dihydroxy-9,10-secocholesta-4,6,10(19)-trien-3-one C27H42O3 414.313395 NA MeJP NA NA +MJ058126 Astrogorgiadiol; 16?-Hydroxy, 9-ketone C27H42O3 414.313395 NA MeJP NA NA +MJ058127 Cabraleahydroxylactone; 3-Ketone C27H42O3 414.313395 NA MeJP NA NA +MJ058128 Metenolone; Heptanoyl C27H42O3 414.313395 NA MeJP NA NA +MJ058129 Minabeolide 4; 1,2-Dihydro C27H42O3 414.313395 NA MeJP NA NA +MJ058130 Spirost-25(27)-en-3-ol C27H42O3 414.313395 NA MeJP NA NA +MJ058131 Spirost-5-en-3-ol C27H42O3 414.313395 NA MeJP NA NA +MJ058132 Spirostan-3-ol, 3-Ketone C27H42O3 414.313395 NA MeJP NA NA +MJ058133 Variecoacetal A C27H42O3 414.313395 NA MeJP NA NA +C08898 Diosgenin C27H42O3 414.3134 NA KEGG NA NA +C08918 Yamogenin C27H42O3 414.3134 NA KEGG NA NA +C14994 3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol C27H42O3 414.3134 NA KEGG NA NA +C16509 14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione C27H42O3 414.3134 NA KEGG NA NA +C16510 C5a anaphylatoxin C27H42O3 414.3134 NA KEGG NA NA +MJ058134 1-(Decahydro-2,5,5,8a-tetramethyl-1-naphthalenylethyl)-2,5-dimethylfluorene C31H42 414.328651 NA MeJP NA NA +MJ058135 1-Phenyl-1,3-docosanedione C28H46O2 414.34978 NA MeJP NA NA +MJ058136 14-Methylcholesta-9(11),24-diene-3,7-diol C28H46O2 414.34978 NA MeJP NA NA +MJ058137 22,23-Epoxy-24-methylcholest-5-en-3-ol C28H46O2 414.34978 NA MeJP NA NA +MJ058138 28,29-Dinorcycloart-24-ene-3,6-diol C28H46O2 414.34978 NA MeJP NA NA +MJ058139 3-Hydroxy-26,27-dinorlanost-9(11)-en-24-one C28H46O2 414.34978 NA MeJP NA NA +MJ058140 3-Hydroxycholest-5-en-24-one, Me ether C28H46O2 414.34978 NA MeJP NA NA +MJ058141 3-Hydroxyergost-4-en-22-one C28H46O2 414.34978 NA MeJP NA NA +MJ058142 4-Methylcholesta-8,14-diene-3,23-diol C28H46O2 414.34978 NA MeJP NA NA +MJ058143 5,6-Epoxyergost-24(28)-en-3-ol C28H46O2 414.34978 NA MeJP NA NA +MJ058144 9,10-Secoergosta-5,7,22-triene-3,25-diol C28H46O2 414.34978 NA MeJP NA NA +MJ058145 Ergost-5-ene-3,7-diol, 7-Ketone C28H46O2 414.34978 NA MeJP NA NA +MJ058146 Ergosta-4,24(28)-diene-3,6-diol C28H46O2 414.34978 NA MeJP NA NA +MJ058147 Ergosta-5,22-diene-3,7-diol C28H46O2 414.34978 NA MeJP NA NA +MJ058148 Ergosta-5,24(28)-diene-3,19-diol C28H46O2 414.34978 NA MeJP NA NA +MJ058149 Ergosta-5,24(28)-diene-3,21-diol C28H46O2 414.34978 NA MeJP NA NA +MJ058150 Ergosta-5,24(28)-diene-3,7-diol C28H46O2 414.34978 NA MeJP NA NA +MJ058151 Ergosta-5,25-diene-3,24-diol C28H46O2 414.34978 NA MeJP NA NA +MJ058152 Ergosta-5,7-diene-3,23-diol C28H46O2 414.34978 NA MeJP NA NA +MJ058153 Ergosta-7,22-diene-3,6-diol C28H46O2 414.34978 NA MeJP NA NA +MJ058154 Ergosta-7,24(28)-diene-3,6-diol C28H46O2 414.34978 NA MeJP NA NA +MJ058155 Ergosta-8(14),22-diene-3,7-diol C28H46O2 414.34978 NA MeJP NA NA +MJ058156 Ergosta-8(14),24(28)-diene-3,7-diol C28H46O2 414.34978 NA MeJP NA NA +MJ058157 Ergosta-9(11),20(22)-diene-3,6-diol C28H46O2 414.34978 NA MeJP NA NA +MJ058158 Ergostane-3,6-diol, Diketone C28H46O2 414.34978 NA MeJP NA NA +MJ058159 Phytylplastoquinone C28H46O2 414.34978 NA MeJP NA NA +MJ058160 Stenocereol C28H46O2 414.34978 NA MeJP NA NA +MetaCyc03447 5-α-ergosta-7, 22-diene-3-β,5-diol [] C28H46O2 414.349781 NA metacyc NA NA +MetaCyc03448 4α-hydroxymethyl-5α-cholesta-8,24-dien-3β-ol [] C28H46O2 414.349781 NA metacyc NA NA +MetaCyc03449 5-α-ergosta-7,22-diene-3-β-5-diol [] C28H46O2 414.349781 NA metacyc NA NA +MetaCyc03450 (22α)-hydroxy-campest-4-en-3-one [(22S)-22-hydroxy-campest-4-en-3-one;(22S,24R)-22-hydroxy-ergost-4-en-3-one;] C28H46O2 414.349781 NA metacyc NA NA +HMDB12113 (22Alpha)-hydroxy-campest-4-en-3-one C28H46O2 414.349792 NA HMDB2010 NA NA +HMDB12169 4alpha-formyl-5alpha-cholesta-8-en-3beta-ol C28H46O2 414.349792 NA HMDB2010 NA NA +C04416 5alpha-Ergosta-7,22-diene-3beta,5-diol C28H46O2 414.3498 NA KEGG NA NA +C04417 6-alpha-D-(1,4-alpha-D-Glucano)-glucan C12H22O11 414.3498 NA KEGG NA NA +C15796 22alpha-Hydroxy-campest-4-en-3-one C28H46O2 414.3498 NA KEGG NA NA +MJ058161 3-Aminosolanidan-23-ol C27H46N2O 414.361014 NA MeJP NA NA +MJ058162 Buxaminol I; N3,N20,N20-Tri-Me C27H46N2O 414.361014 NA MeJP NA NA +MJ058163 Buxaminol I; N3,N3,N20-Tri-Me C27H46N2O 414.361014 NA MeJP NA NA +MJ058164 Buxidienine I; 16-Deoxy, N3,N20,N20-Tri-Me C27H46N2O 414.361014 NA MeJP NA NA +MJ058165 Buxozine C C27H46N2O 414.361014 NA MeJP NA NA +MJ058166 Buxus Alkaloid M C27H46N2O 414.361014 NA MeJP NA NA +MJ058167 Cyclobuxamine I; N-Tetra-Me, 6,7-didehydro C27H46N2O 414.361014 NA MeJP NA NA +MJ058168 Cyclokoreanine I; N3,N3,N20-Tri-Me C27H46N2O 414.361014 NA MeJP NA NA +MJ058169 Cyclovirobuxeine I; N3,N3,N20-Tri-Me C27H46N2O 414.361014 NA MeJP NA NA +MJ058170 Cyclovirobuxine I; 1,2-Didehydro, N3,N3,N20-tri-Me C27H46N2O 414.361014 NA MeJP NA NA +MJ058171 Solacallinidine C27H46N2O 414.361014 NA MeJP NA NA +MJ058172 Spirosolan-3-amine C27H46N2O 414.361014 NA MeJP NA NA +HMDB11551 MG(0:0/22:0/0:0) C25H50O4 414.370911 NA HMDB2010 NA NA +HMDB11581 MG(22:0/0:0/0:0) C25H50O4 414.370911 NA HMDB2010 NA NA +MJ058173 13,14-Secostigmasta-5,20(22)-dien-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058174 13,14-Secostigmasta-9(11),14-dien-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058175 14-Methylergost-9(11)-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058176 14-Methylergostan-3-one C29H50O 414.386166 NA MeJP NA NA +MJ058177 23-Methyl-A-norergost-22-ene-3-methanol C29H50O 414.386166 NA MeJP NA NA +MJ058178 23-Methylergost-22-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058179 23-Methylergost-7-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058180 23-Methylergostan-3-ol, 5,6-Didehydro C29H50O 414.386166 NA MeJP NA NA +MJ058181 24,26-Dimethylcholest-5-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058182 24-Ethyl-3-hydroxymethyl-A-nor-22-cholestene C29H50O 414.386166 NA MeJP NA NA +MJ058183 24-Methylergost-8-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058184 29-Norcycloartan-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058185 3-Hydroxymethyl-A-norstigmast-22-ene C29H50O 414.386166 NA MeJP NA NA +MJ058186 30-Nor-22-hopanone; 21à H-form, 22S-Alcohol C29H50O 414.386166 NA MeJP NA NA +MJ058187 30-Norlanost-8-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058188 4,14-Dimethylcholest-7-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058189 4,14-Dimethylcholest-8-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058190 4,14-Dimethylcholest-9(11)-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058191 4,23-Dimethylcholest-22-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058192 4-Methylergost-14-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058193 4-Methylergost-7-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058194 4-Methylergost-8(14)-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058195 9,10-Secostigmasta-5,8-dien-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058196 9,19-Cyclo-14,24-dimethylcholestan-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058197 Australinol A C29H50O 414.386166 NA MeJP NA NA +MJ058198 Australinol B C29H50O 414.386166 NA MeJP NA NA +MJ058199 Australinol C C29H50O 414.386166 NA MeJP NA NA +MJ058200 Australinol D C29H50O 414.386166 NA MeJP NA NA +MJ058201 Australinol E C29H50O 414.386166 NA MeJP NA NA +MJ058202 Petrostanol C29H50O 414.386166 NA MeJP NA NA +MJ058203 Stigmast-14-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058204 Stigmast-22-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058205 Stigmast-24-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058206 Stigmast-25-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058207 Stigmast-4-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058208 Stigmast-5-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058209 Stigmast-7-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058210 Stigmast-8(14)-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058211 Stigmast-9(11)-en-3-ol C29H50O 414.386166 NA MeJP NA NA +MJ058212 Stigmastan-3-one C29H50O 414.386166 NA MeJP NA NA +MJ058213 Zoanthosterol C29H50O 414.386166 NA MeJP NA NA +MetaCyc03451 4α,14α-dimethyl-cholesta-8-enol [] C29H50O1 414.386166 NA metacyc NA NA +MetaCyc03452 24(25)-dihydrocycloartenol [] C29H50O1 414.386166 NA metacyc NA NA +MetaCyc03453 sitosterol [] C29H50O1 414.386166 NA metacyc NA NA +HMDB00649 Clionasterol C29H50O 414.386169 NA HMDB2010 NA NA +HMDB00852 Beta-Sitosterol C29H50O 414.386169 NA HMDB2010 NA NA +HMDB06840 4,4-Dimethyl-5a-cholesta-8-en-3b-ol C29H50O 414.386169 NA HMDB2010 NA NA +HMDB00852 beta-Sitosterol C29H50O 414.38617 http://www.hmdb.ca/metabolites/HMDB00852 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00649 Clionasterol C29H50O 414.38617 http://www.hmdb.ca/metabolites/HMDB00649 HMDB NA NA +HMDB00852 beta-Sitosterol C29H50O 414.38617 http://www.hmdb.ca/metabolites/HMDB00852 HMDB NA NA +HMDB01286 4,4-Dimethyl-5a-cholesta-8,24-dien-3-b-ol C29H50O 414.38617 http://www.hmdb.ca/metabolites/HMDB01286 HMDB NA NA +HMDB06840 4,4-Dimethyl-5alpha-cholesta-8-en-3beta-ol C29H50O 414.38617 http://www.hmdb.ca/metabolites/HMDB06840 HMDB NA NA +HMDB00852 beta-Sitosterol C29H50O 414.38617 http://www.hmdb.ca/metabolites/HMDB00852 PFEM_hmdb_metabocards_blood NA blood +HMDB00649 Clionasterol C29H50O 414.38617 HMDB00649 PFEM_hmdb_metabocards_official NA NA +HMDB00852 beta-Sitosterol C29H50O 414.38617 HMDB00852 PFEM_hmdb_metabocards_official NA NA +HMDB01286 4,4-Dimethyl-5a-cholesta-8,24-dien-3-b-ol C29H50O 414.38617 HMDB01286 PFEM_hmdb_metabocards_official NA NA +HMDB06840 4,4-Dimethyl-5alpha-cholesta-8-en-3beta-ol C29H50O 414.38617 HMDB06840 PFEM_hmdb_metabocards_official NA NA +C01753 Sitosterol C29H50O 414.3862 NA KEGG NA NA +C01754 Spiramycin C43H73N2O14R 414.3862 NA KEGG NA NA +C04530 4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol C29H50O 414.3862 NA KEGG NA NA +C08839 Schottenol C29H50O 414.3862 NA KEGG NA NA +C15915 4,4-Dimethyl-5alpha-cholesta-8-en-3beta-ol C29H50O 414.3862 NA KEGG NA NA +C15916 Helospectin I C29H50O 414.3862 NA KEGG NA NA +C15917 Hydroxychlorobactene glucoside ester C47H63O7R 414.3862 NA KEGG NA NA +C15918 Helospectin II C47H63O7R 414.3862 NA KEGG NA NA +MJ058214 Cycloprotobuxine I; N-Tetra-Me C28H50N2 414.397399 NA MeJP NA NA +MJ058215 7,11-Cyclo-5,12,26-botryococcatriene C30H54 414.422551 NA MeJP NA NA +MJ058216 Boerhadiffusene C30H54 414.422551 NA MeJP NA NA +8288 Antioxidative peptide YFYPQL 414.694 MH2+ Inhouse_peptide NA peptide +7894 peptide from human milk b-casein (167-173) QVVPYPQ 414.7095 MH2+ Inhouse_peptide NA peptide +3480 ACE-inhibitor (b-casein, fr, 177-183) AVPYPQR 414.7155 MH2+ Inhouse_peptide NA peptide +7875 peptide derived from bovine b-casein (177-183) AVPYPQR 414.7155 MH2+ Inhouse_peptide NA peptide +3700 NA RKQDKR 414.73745 MH2+ Inhouse_peptide NA peptide +MJ058217 Discorhabdin A C18H14BrN3O2S 414.99901 NA MeJP NA NA +MJ058218 Chloro(1,2-diaminobenzene)(dimethyl sulfoxide)platinum(II)(1+) C8H14ClN2OPtS(+) 415.008485 NA MeJP NA NA +MJ058219 Dihydroneopterin phosphate C9H15N5O10P2 415.029414 NA MeJP NA NA +MJ058220 N-(3,5-Dichloro-4-pyridinyl)-5-methoxy-4-[(tetrahydro-3-furanyl)oxy]-2-pyridinecarboxamide, N,N'-Dioxide C16H15Cl2N3O6 415.03379 NA MeJP NA NA +MJ058221 Verotetrone C19H13NO10 415.053945 NA MeJP NA NA +MJ058222 Thihexinol methyl(1+); Bromide C18H26BrNOS2 415.063918 NA MeJP NA NA +C11754 Cephaloridine C19H17N3O4S2 415.066 NA KEGG NA NA +MJ058223 Cefaloridine C19H17N3O4S2 415.066047 NA MeJP NA NA +C10984 Cypermethrin C22H19Cl2NO3 415.0742 NA KEGG NA NA +MJ058224 Halofenate C19H17ClF3NO4 415.07982 NA MeJP NA NA +MJ058225 Acemetacin C21H18ClNO6 415.082265 NA MeJP NA NA +C12471 Chlorobiocic acid C21H18ClNO6 415.0823 NA KEGG NA NA +MJ058226 Anthrotainin C20H17NO9 415.090331 NA MeJP NA NA +MJ058227 6-Heptenyl glucosinolate C14H25NO9S2 415.097072 NA MeJP NA NA +C00916 Cephalosporin C C16H21N3O8S 415.1049 NA KEGG NA NA +C00917 Chelating agent C16H21N3O8S 415.1049 NA KEGG NA NA +MJ058228 Cephalosporin C C16H21N3O8S 415.104935 NA MeJP NA NA +MetaCyc03454 cephalosporin-C [] C16H21N3O8S1 415.104935 61-24-5 metacyc NA NA +MJ058229 Aminophenazone; 4-N-Butyl iodide C17H26IN3O 415.112055 NA MeJP NA NA +MJ058230 Cylindrospermopsin C15H21N5O7S 415.116168 NA MeJP NA NA +MJ058231 Thaliglucinone; N-Me, chloride C22H22ClNO5 415.11865 NA MeJP NA NA +PJ001095 CMY C17H25N3O5S2 415.1236 NA PeJP NA NA +MetaCyc03455 N6-(Δ(2)-isopentenyl)adenosine 5'-monophosphate [N6-(Δ2-isopentenyl)-adenosine 5'-monophosphate;] C15H22N5O7P1 415.125685 NA metacyc NA NA +MetaCyc03456 isopentenyladenosine-5'-monophosphate [iPMP;isopentenyladenosine riboside-5'-monophosphate;iPRMP;] C15H22N5O7P1 415.125685 NA metacyc NA NA +C04713 N6-(delta2-Isopentenyl)-adenosine 5'-monophosphate C15H22N5O7P 415.1257 NA KEGG NA NA +C04714 alpha-D-Galactosyl-beta-D-galactosyldiacylglycerol C17H26O15R2 415.1257 NA KEGG NA NA +MJ058232 Narceimicine C21H21NO8 415.126716 NA MeJP NA NA +MJ058233 Xylostosidine C18H25NO8S 415.130087 NA MeJP NA NA +MJ058234 2-Amino-6-(1,2,3-trihydroxypropyl)-4(1H)-pteridinone, 3'-O-?-D-Glucopyranoside C15H21N5O9 415.133927 NA MeJP NA NA +MJ058235 Quisultazine C21H25N3O2S2 415.138818 NA MeJP NA NA +MJ058236 Milenperone C22H23ClFN3O2 415.146282 NA MeJP NA NA +PJ001096 EMH C16H25N5O6S 415.1526 NA PeJP NA NA +PJ001097 CFF C21H25N3O4S 415.1566 NA PeJP NA NA +7939 synthetic peptide YYA 415.163 antioxidative Inhouse_peptide NA peptide +7953 synthetic peptide AYY 415.163 antioxidative Inhouse_peptide NA peptide +7957 synthetic peptide YAY 415.163 antioxidative Inhouse_peptide NA peptide +MJ058237 10,11-Oxy-10,12a-cyclo-10,11-secocolchicine C22H25NO7 415.163102 NA MeJP NA NA +MJ058238 6,14-Dihydroxy-7-drimen-12,11-olide, 6-(4-Nitrobenzoyl) C22H25NO7 415.163102 NA MeJP NA NA +MJ058239 Adlumiceine C22H25NO7 415.163102 NA MeJP NA NA +MJ058240 Ceratocapnidine; Me ether C22H25NO7 415.163102 NA MeJP NA NA +MJ058241 Colchiciline C22H25NO7 415.163102 NA MeJP NA NA +MJ058242 Colchifoline C22H25NO7 415.163102 NA MeJP NA NA +MJ058243 Coryrutine C22H25NO7 415.163102 NA MeJP NA NA +MJ058244 Isoadlumiceine C22H25NO7 415.163102 NA MeJP NA NA +MJ058245 Leucoxylonine, N-Oxide C22H25NO7 415.163102 NA MeJP NA NA +MJ058246 Macrantaline; 2'-Carboxylic acid C22H25NO7 415.163102 NA MeJP NA NA +MJ058247 Margrapine A; 6-Me ether C22H25NO7 415.163102 NA MeJP NA NA +MJ058248 N-Methylhydrasteine C22H25NO7 415.163102 NA MeJP NA NA +MJ058249 Narcotinehemiacetal C22H25NO7 415.163102 NA MeJP NA NA +MJ058250 Salimine C22H25NO7 415.163102 NA MeJP NA NA +MJ058251 Zangezurine C22H25NO7 415.163102 NA MeJP NA NA +MJ058252 Donetidine C20H25N5O3S 415.16781 NA MeJP NA NA +PJ001098 GPNE C16H25N5O8 415.1703 NA PeJP NA NA +MJ058253 Sabeluzole C22H26FN3O2S 415.172975 NA MeJP NA NA +8038 synthetic peptide PHY 415.173 antibacterial Inhouse_peptide NA peptide +8046 synthetic peptide PWN 415.1739 anticancer Inhouse_peptide NA peptide +PJ001099 AYY C21H25N3O6 415.1743 NA PeJP NA NA +MJ058254 Rupatadine C26H26ClN3 415.181525 NA MeJP NA NA +MJ058255 1,2,3,4-Tetrahydro-5-hydroxy-1-hydroxymethyl-6,7-dimethoxy-2-methylisoquinoline; 5-O-?-D-Glucopyranoside C19H29NO9 415.184231 NA MeJP NA NA +PJ001100 PNW C20H25N5O5 415.1856 NA PeJP NA NA +7887 peptide from aS1-casein YFYPEL 415.186 MH2+ Inhouse_peptide NA peptide +MJ058256 Aszonalenin; Na-Ac C25H25N3O3 415.189591 NA MeJP NA NA +MJ058257 Flesinoxan C22H26FN3O4 415.190734 NA MeJP NA NA +MJ058258 Alpinigenine, Me ether C23H29NO6 415.199487 NA MeJP NA NA +MJ058259 Alpinine C23H29NO6 415.199487 NA MeJP NA NA +MJ058260 Fusarin A C23H29NO6 415.199487 NA MeJP NA NA +MJ058261 Kreysigine, Me ether, N-oxide C23H29NO6 415.199487 NA MeJP NA NA +MJ058262 Maistemonine C23H29NO6 415.199487 NA MeJP NA NA +MJ058263 Miyaconitine C23H29NO6 415.199487 NA MeJP NA NA +MJ058264 Protostemotinine C23H29NO6 415.199487 NA MeJP NA NA +MJ058265 Tobagolide C23H29NO6 415.199487 NA MeJP NA NA +C09331 Alpinine C23H29NO6 415.1995 NA KEGG NA NA +PJ001101 GPDK C17H29N5O7 415.2067 NA PeJP NA NA +7991 synthetic peptide LHF 415.21 inhibitor Inhouse_peptide NA peptide +MJ058266 Alternarolide III; Deoxy C22H29N3O5 415.210721 NA MeJP NA NA +MJ058267 Zamifenacin C27H29NO3 415.214743 NA MeJP NA NA +PJ001102 GSPR C16H29N7O6 415.218 NA PeJP NA NA +MJ058268 1,2,3,4-Tetrahydro-6-[[(4-methoxyphenyl)sulfonyl]methyl]-N,N-dipropyl-2-naphthalenamine C24H33NO3S 415.218114 NA MeJP NA NA +MJ058269 Echiumine; 2'',3''-Dihydro, 2''R*,3''S*-dihydroxy C20H33NO8 415.220617 NA MeJP NA NA +MJ058270 Lithosenine C20H33NO8 415.220617 NA MeJP NA NA +PJ001103 LHF C21H29N5O4 415.222 NA PeJP NA NA +MJ058271 Isokalihinol F; 10-Isothiocyanate, 10-epimer C23H33N3O2S 415.229348 NA MeJP NA NA +MJ058272 Kalihinol F; 10-Isothiocyanate C23H33N3O2S 415.229348 NA MeJP NA NA +MJ058273 Kalihinol F; 16-Isothiocyanate C23H33N3O2S 415.229348 NA MeJP NA NA +MJ058274 Ajaconine; 15-Epimer, 19-oxo, 15-Ac C24H33NO5 415.235873 NA MeJP NA NA +MJ058275 Alkaloid GB 14 C24H33NO5 415.235873 NA MeJP NA NA +MJ058276 Cardionine C24H33NO5 415.235873 NA MeJP NA NA +MJ058277 Hetisan-2,11,13,14-tetrol, O2-(2-Methylpropanoyl) C24H33NO5 415.235873 NA MeJP NA NA +MJ058278 Spiramine S C24H33NO5 415.235873 NA MeJP NA NA +MJ058279 Spiramine Y C24H33NO5 415.235873 NA MeJP NA NA +MJ058280 Spiratine B C24H33NO5 415.235873 NA MeJP NA NA +MJ058281 Ternatine C24H33NO5 415.235873 NA MeJP NA NA +PJ001104 APTK C18H33N5O6 415.2431 NA PeJP NA NA +PJ001105 LQR C17H33N7O5 415.2543 NA PeJP NA NA +MJ058282 Antibiotic TAN 2020 C20H37N3O6 415.268235 NA MeJP NA NA +MJ058283 Aleicide B C25H37NO4 415.272258 NA MeJP NA NA +MJ058284 Bimatoprost C25H37NO4 415.272258 NA MeJP NA NA +MJ058285 Phomacin C C25H37NO4 415.272258 NA MeJP NA NA +MJ058286 Piericidin; Piericidin A1 C25H37NO4 415.272258 NA MeJP NA NA +MJ058287 Salmeterol C25H37NO4 415.272258 NA MeJP NA NA +MJ058288 Vermisporin C25H37NO4 415.272258 NA MeJP NA NA +C07241 Salmeterol C25H37NO4 415.2723 NA KEGG NA NA +C07242 Transferred to D00428 C25H37NO4 415.2723 NA KEGG NA NA +C07243 Transferred to D00429 C25H37NO4 415.2723 NA KEGG NA NA +C07244 Transferred to D00430 C25H37NO4 415.2723 NA KEGG NA NA +PJ001106 GVLK C19H37N5O5 415.2795 NA PeJP NA NA +PJ001107 LKR C18H37N7O4 415.2907 NA PeJP NA NA +C12158 Myxalamid A C26H41NO3 415.3086 NA KEGG NA NA +MJ058289 Cyclorolfoxazine C26H41NO3 415.308644 NA MeJP NA NA +MJ058290 Myxalamides; Myxalamide A C26H41NO3 415.308644 NA MeJP NA NA +MJ058291 Pingbeinone C26H41NO3 415.308644 NA MeJP NA NA +HMDB13336 3-Hydroxyhexadecanoylcarnitine C23H45NO5 415.329773 NA HMDB2010 NA NA +HMDB13337 2-Hydroxyhexadecanoylcarnitine C23H45NO5 415.329773 NA HMDB2010 NA NA +C10826 Tomatidine C27H45NO2 415.345 NA KEGG NA NA +MJ058292 16,28-Secosolanid-5-ene-3,16-diol C27H45NO2 415.345029 NA MeJP NA NA +MJ058293 3,6-Cevanediol C27H45NO2 415.345029 NA MeJP NA NA +MJ058294 Leptinidine; 5,6-Dihydro C27H45NO2 415.345029 NA MeJP NA NA +MJ058295 Solafloridine C27H45NO2 415.345029 NA MeJP NA NA +MJ058296 Spirosolan-3-ol C27H45NO2 415.345029 NA MeJP NA NA +MJ058297 Spirostan-3-amine C27H45NO2 415.345029 NA MeJP NA NA +MJ058298 Verazine; 12?-Hydroxy, 22S,N-dihydro C27H45NO2 415.345029 NA MeJP NA NA +MJ058299 Vertaline B; 16-Deoxy C27H45NO2 415.345029 NA MeJP NA NA +HMDB12173 4Alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol C28H47O2 415.357605 NA HMDB2010 NA NA +MJ058300 Fromia monilis Alkaloid C23H49N3O3 415.377392 NA MeJP NA NA +MJ058301 3-(7,16-Tricosadienyl)-1H-pyrrole-2-carboxaldehyde, 7',8'-Dihydro C28H49NO 415.381415 NA MeJP NA NA +7882 peptide from tropomyosin, pork muscles DAQEKLE 415.69195 MH2+ Inhouse_peptide NA peptide +31 Myofibrillar DAQEKLE 415.693 MH2+ Inhouse_peptide NA peptide +C06651 6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4E- C14H9Cl5O4 415.8943 NA KEGG NA NA +MJ058302 6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4E-dienoate C14H9Cl5O4 415.894347 NA MeJP NA NA +C11223 Ferbam C29H40N2O9 415.9174 NA KEGG NA NA +MJ058303 Cyclocymopol; 1'-Me ether C17H22Br2O2 415.998655 NA MeJP NA NA +MJ058304 Cercophorin B C20H16O10 416.074346 NA MeJP NA NA +MJ058305 Cercophorin C C20H16O10 416.074346 NA MeJP NA NA +MJ058306 Protocetraric acid; Mono-Ac C20H16O10 416.074346 NA MeJP NA NA +MJ058307 Stictic acid; 1''-Carboxylic acid, Me ester C20H16O10 416.074346 NA MeJP NA NA +MJ058308 Quinacillin C18H16N4O6S 416.079054 NA MeJP NA NA +C13110 Propicillin potassium C18H21N2O5S 416.0808 NA KEGG NA NA +C13111 Transferred to D01650 C18H21N2O5S 416.0808 NA KEGG NA NA +FL5FAANN0001 Calomelanol D;(-)-9,10-Dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-10-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4,8-dione C24H16O7 416.0896 141897-14-5 knapsack NA NA +MJ058309 Calomelanol D C24H16O7 416.089602 NA MeJP NA NA +MJ058310 Roseanone C24H16O7 416.089602 NA MeJP NA NA +MJ058311 Spiromentin A C24H16O7 416.089602 NA MeJP NA NA +MJ058312 O-Carbamoyl-deacetylcephalosporin C C15H20N4O8S 416.100184 NA MeJP NA NA +MJ058313 Antibiotic A 16886A C15H20N4O8S 416.100184 NA MeJP NA NA +MJ058314 Chitinovorin C C15H20N4O8S 416.100184 NA MeJP NA NA +C06568 O-Carbamoyl-deacetylcephalosporin C C15H20N4O8S 416.1002 NA KEGG NA NA +C07664 Trovafloxacin C20H15F3N4O3 416.1096 NA KEGG NA NA +MJ058315 Trovafloxacin C20H15F3N4O3 416.109624 NA MeJP NA NA +C10216 Daidzin C21H20O9 416.1107 NA KEGG NA NA +C10316 Chrysophanol 8-O-beta-D-glucoside C21H20O9 416.1107 NA KEGG NA NA +C10346 Frangulin A C21H20O9 416.1107 NA KEGG NA NA +C10524 Puerarin C21H20O9 416.1107 NA KEGG NA NA +C15580 Flavonol 7-O-beta-D-glucoside C21H20O9 416.1107 NA KEGG NA NA +FL1A1AGS0001 Hispidol 6-glucoside C21H20O9 416.11073 20550-08-7 knapsack NA NA +FL1AAAGS0001 4,6,4'-Trihydroxyaurone 6-rhamnoside C21H20O9 416.11073 124089-65-2 knapsack NA NA +FL3F18GS0001 7,2'-Dihydroxyflavone 7-glucoside C21H20O9 416.11073 140187-26-4 knapsack NA NA +FL3F1ACS0001 Bayin;8-beta-D-Glucopyranosyl-4',7-dihydroxyflavone C21H20O9 416.11073 3681-96-7 knapsack NA NA +FL3F1AGS0001 7,4'-Dihydroxyflavone 7-glucoside C21H20O9 416.11073 20633-86-7 knapsack NA NA +FL3F1AGS0002 Sophoraflavone B C21H20O9 416.11073 22052-75-1 knapsack NA NA +FL3F9CGS0001 3',4'-Dihydroxyflavone 4'-glucoside C21H20O9 416.11073 - knapsack NA NA +FL3FA9CS0004 Chrysin 8-C-beta-D-glucopyranoside;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one C21H20O9 416.11073 160880-89-7 knapsack NA NA +FL3FA9CS0005 Chrysin 6-C-beta-D-glucopyranoside;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one C21H20O9 416.11073 28368-57-2 knapsack NA NA +FL3FA9GS0001 Toringin C21H20O9 416.11073 1329-10-8 knapsack NA NA +FL3FA9GS0002 Aequinetin C21H20O9 416.11073 31025-53-3 knapsack NA NA +FL3FA9GS0003 Chrysin 7-galactoside C21H20O9 416.11073 73036-52-9 knapsack NA NA +FL3FAACS0007 Isofurcatain;6-C-alpha-L-Rhamnosylapigenin;6-(6-Deoxy-alpha-L-mannopyranosyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C21H20O9 416.11073 40789-19-3 knapsack NA NA +FL3FAAGS0007 Apigenin 7-rhamnoside C21H20O9 416.11073 88109-95-9 knapsack NA NA +FL3FCACS0001 Isomolludistin;6-alpha-L-Arabinopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C21H20O9 416.11073 92633-64-2 knapsack NA NA +FL3FCACS0002 Molludistin;8-alpha-L-Arabinopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C21H20O9 416.11073 66274-25-7 knapsack NA NA +FL3FE9GS0004 Baicalein 7-rhamnoside C21H20O9 416.11073 60092-35-5 knapsack NA NA +FL3FE9GS0013 5,6-Dihydroxy-7-methoxyflavone 6-O-beta-D-xylopyranoside;5-Hydroxy-7-methoxy-2-phenyl-6-(b-D-xylopyranosyloxy)-4H-1-benzopyran-4-one C21H20O9 416.11073 273205-83-7 knapsack NA NA +FL3FGGNS0009 Eupalestin;Conyzorigun;5,6,7,8-Tetramethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one C21H20O9 416.11073 73340-44-0 knapsack NA NA +FL5FA9GS0001 Galangin 3-rhamnoside C21H20O9 416.11073 72463-31-1 knapsack NA NA +FL5FFCNS0028 Gossypetin 7,4'-dimethyl ether 8-butyrate C21H20O9 416.11073 69306-86-1 knapsack NA NA +FL5FGCNS0020 Melicophyllin C21H20O9 416.11073 119968-22-8 knapsack NA NA +FL5FGCNS0024 Melibentin;3,5,6,7,8-Pentamethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-3,5,6,7,8-pentamethoxy-4H-1-benzopyran-4-one C21H20O9 416.11073 5071-42-1 knapsack NA NA +FLIA1ACS0001 Puerarin;Kakonein C21H20O9 416.11073 3681-99-0 knapsack NA NA +FLIA1AGS0001 Daidzin;Daidzein 7-O-glucoside;Daidzoside C21H20O9 416.11073 552-66-9 knapsack NA NA +FLIA1AGS0004 Daidzein 4'-O-glucoside C21H20O9 416.11073 58970-69-7 knapsack NA NA +FLIA3AGS0005 Retusin 8-O-arabinoside C21H20O9 416.11073 119060-87-6 knapsack NA NA +FLIFHXNS0004 6-Acetyldihydrostemonal;11-Hydroxy-2,3,9-trimethoxy-6-acetoxyrotenone C21H20O9 416.11073 125164-62-7 knapsack NA NA +FLNAA9GS0001 Serratin 7-O-glucoside;5,7-Dihydroxy-4-phenylcoumarin 7-O-glucoside C21H20O9 416.11073 83161-47-1 knapsack NA NA +MJ058316 1,3,8-Trihydroxy-6-methylanthraquinone; 1-O-?-L-Rhamnopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058317 1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 8-O-?-L-xylopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058318 1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-?-L-Rhamnopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058319 1,3-Dihydroxy-2-methylanthraquinone; 3-O-?-D-Glucopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058320 1,8-Dihydroxy-3-methylanthraquinone; 1-O-?-D-Glucopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058321 1,8-Dihydroxy-3-methylanthraquinone; 8-O-?-D-Glucopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058322 2',7-Dihydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058323 2-Hydroxy-3-hydroxymethylanthraquinone; 2-O-?-D-Glucopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058324 3',4',5,5',6,7,8-Heptahydroxyflavone; 5,5',6,7,8-Penta-Me, 3',4'-methylene ether C21H20O9 416.110732 NA MeJP NA NA +MJ058325 3',4'-Dihydroxyflavone; 4'-O-?-D-Glucopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058326 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4'-Methylene, 3,5,6,7,8-penta-Me ether C21H20O9 416.110732 NA MeJP NA NA +MJ058327 3,3',4',5,6,7,8-Heptahydroxyflavone; 6,7-Methylene, 3,3',4',5,8-penta-Me ether C21H20O9 416.110732 NA MeJP NA NA +MJ058328 3,3',4',5,7,8-Hexahydroxyflavone; 4',7-Di-Me ether, 8-O-butanoyl C21H20O9 416.110732 NA MeJP NA NA +MJ058329 3,5,7-Trihydroxyflavone; 3-O-?-L-Rhamnopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058330 3,5,7-Trihydroxyflavone; 7-O-?-L-Rhamnopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058331 3,5-Dihydroxyflavone; 5-O-?-D-Glucopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058332 3,7-Dihydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058333 4',5,7-Trihydroxyflavone; 5-O-?-L-Rhamnopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058334 4',5,7-Trihydroxyflavone; 7-O-?-L-Rhamnopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058335 4',5,7-Trihydroxyisoflavone; 4'-O-?-L-Rhamnopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058336 4',6-Dihydroxyaurone, 6-O-?-D-Glucopyranosyl C21H20O9 416.110732 NA MeJP NA NA +MJ058337 4',7,8-Trihydroxyisoflavone; 4'-Me ether, 8-O-?-L-arabinopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058338 4',7-Dihydroxyflavone; 4'-O-?-D-Glucopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058339 4',7-Dihydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058340 4',7-Dihydroxyisoflavone; 4'-O-?-D-Glucopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058341 4',7-Dihydroxyisoflavone; 7-O-?-D-Glucopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058342 4,4',6-Trihydroxyaurone; 6-O-?-L-Rhamnopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058343 5,6,7-Trihydroxyflavone; 7-Me ether, 6-O-?-D-xylopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058344 5,6,7-Trihydroxyflavone; 7-O-?-L-Rhamnofuranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058345 5,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one; 7-O-?-D-Glucopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058346 5,7-Dihydroxyflavone; 5-O-?-D-Glucopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058347 5,7-Dihydroxyflavone; 7-O-?-D-Galactopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058348 5,7-Dihydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O9 416.110732 NA MeJP NA NA +MJ058349 6-Glucosyl-5,7-dihydroxyflavone C21H20O9 416.110732 NA MeJP NA NA +MJ058350 8-Glucosyl-5,7-dihydroxyflavone C21H20O9 416.110732 NA MeJP NA NA +MJ058351 Aleuritin C21H20O9 416.110732 NA MeJP NA NA +MJ058352 Bayin C21H20O9 416.110732 NA MeJP NA NA +MJ058353 Cleomiscosin A; 5'-Methoxy C21H20O9 416.110732 NA MeJP NA NA +MJ058354 Cleomiscosin B; 5''-Methoxy C21H20O9 416.110732 NA MeJP NA NA +MJ058355 Dihydrostemonal; 6-Ac C21H20O9 416.110732 NA MeJP NA NA +MJ058356 Hemidesmin 1 C21H20O9 416.110732 NA MeJP NA NA +MJ058357 Mollupentin; 7-Me ether C21H20O9 416.110732 NA MeJP NA NA +MJ058358 Phenarctin C21H20O9 416.110732 NA MeJP NA NA +MJ058359 Pterocarposide C21H20O9 416.110732 NA MeJP NA NA +MJ058360 Puerarin C21H20O9 416.110732 NA MeJP NA NA +MJ058361 Steffimycinol C21H20O9 416.110732 NA MeJP NA NA +MJ058362 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-?-L-Rhamnopyranoside C21H21O9(+) 416.110732 NA MeJP NA NA +MJ058363 4',5,7-Trihydroxyflavylium(1+); 5-O-?-D-Glucopyranoside C21H21O9(+) 416.110732 NA MeJP NA NA +MJ058364 4',5,7-Trihydroxyflavylium(1+); 7-O-?-D-Glucopyranoside C21H21O9(+) 416.110732 NA MeJP NA NA +MetaCyc03457 daidzin [] C21H20O9 416.110732 NA metacyc NA NA +C17719 Tenitramine C10H20N6O12 416.1139 NA KEGG NA NA +MJ058365 19,20-Dichloro-1,9:6,7-diepoxy-14-hydroxy-10,12-xenicadien-17,18-olide C20H26Cl2O5 416.115729 NA MeJP NA NA +MJ058366 Nikkomycin N C15H20N4O10 416.117942 NA MeJP NA NA +MJ058367 Ramatroban C21H21FN2O4S 416.120606 NA MeJP NA NA +MJ058368 Bromerguride C20H25BrN4O 416.121174 NA MeJP NA NA +MJ058369 Iofendylate C19H29IO2 416.121223 NA MeJP NA NA +MJ058370 Aldostatin C20H20N2O8 416.121965 NA MeJP NA NA +MJ058371 15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2,3-Dihydroxy-2-methylpropanoyl) C19H25ClO8 416.123795 NA MeJP NA NA +MJ058372 3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(3-Chloro-2R-hydroxy-2-methylpropanoyl) C19H25ClO8 416.123795 NA MeJP NA NA +MJ058373 3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(3-Chloro-2S-hydroxy-2-methylpropanoyl) C19H25ClO8 416.123795 NA MeJP NA NA +MJ058374 ?-[2-(4-Methoxyphenyl)-2-oxo-1-(phenylmethyl)ethylidene]-1,3-benzodioxole-5-acetic acid C25H20O6 416.125988 NA MeJP NA NA +MJ058375 Interruptin B; 2',3'-Dihydro, 2?-hydroxy C25H20O6 416.125988 NA MeJP NA NA +MJ058376 Interruptin E C25H20O6 416.125988 NA MeJP NA NA +MJ058377 Ohioensin C; 5-Methoxy, 3-Me ether C25H20O6 416.125988 NA MeJP NA NA +MJ058378 1-O-Coumaroylglycerol, 3'-Hydroxy, 3-O-?-D-glucopyranoside C18H24O11 416.131861 NA MeJP NA NA +MJ058379 1-O-Coumaroylglycerol, 3'-Hydroxy, 2-O-?-D-glucopyranoside C18H24O11 416.131861 NA MeJP NA NA +MJ058380 1-O-Coumaroylglycerol, 3'-Hydroxy, 3-O-?-D-glucopyranoside C18H24O11 416.131861 NA MeJP NA NA +MJ058381 1-O-Glucopyranosylglycerol; 3'-O-(3,4-Dihydroxycinnamoyl) C18H24O11 416.131861 NA MeJP NA NA +MJ058382 1-O-Glucopyranosylglycerol; 4'-O-(3,4-Dihydroxycinnamoyl) C18H24O11 416.131861 NA MeJP NA NA +MJ058383 1-O-Glucopyranosylglycerol; 6'-O-(3,4-Dihydroxycinnamoyl) C18H24O11 416.131861 NA MeJP NA NA +MJ058384 2-Hydroxybenzaldehyde; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C18H24O11 416.131861 NA MeJP NA NA +MJ058385 2-O-Coumaroylglycerol, 3''-Hydroxy, 1-O-?-D-glucopyranoside C18H24O11 416.131861 NA MeJP NA NA +MJ058386 Arborescosidic acid; 10-Ac C18H24O11 416.131861 NA MeJP NA NA +MJ058387 Geniposidic acid; 10-Ac C18H24O11 416.131861 NA MeJP NA NA +MJ058388 Swertiamarin; 2'-Ac C18H24O11 416.131861 NA MeJP NA NA +MJ058389 5a,6-Dihydro-3-(1H-indol-3-yl)-1,4-dimethoxy-10bH-benzofuro[2,3-b]indole-2,10b-diol C24H20N2O5 416.137221 NA MeJP NA NA +MJ058390 Antibiotic FO 2338; Antibiotic FO 2338A C23H25ClO5 416.139051 NA MeJP NA NA +MJ058391 Antibiotic FO 2338; Antibiotic FO 2338B C23H25ClO5 416.139051 NA MeJP NA NA +MJ058392 Guisinol C23H25ClO5 416.139051 NA MeJP NA NA +MJ058393 Isochromophilone Ia C23H25ClO5 416.139051 NA MeJP NA NA +MJ058394 Decamethonium(2+); Dibromide C16H38Br2N2 416.140174 NA MeJP NA NA +MJ058395 Halopemide C21H22ClFN4O2 416.141531 NA MeJP NA NA +C10544 1-Acetoxypinoresinol C22H24O8 416.1471 NA KEGG NA NA +FL5FEANI0003 Aliarin C22H24O8 416.14711 84294-77-9 knapsack NA NA +FL5FEANI0006 3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one C22H24O8 416.14711 343337-04-2 knapsack NA NA +MJ058396 1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(3-Methyl-2-butenoyl), 13-Ac C22H24O8 416.147117 NA MeJP NA NA +MJ058397 2',3,4,4',5,5'-Hexahydroxylignan-9,9'-olide, 4',5'-Methylene, 3,4,5-tri-Me ether C22H24O8 416.147117 NA MeJP NA NA +MJ058398 2',4',5,5',7-Pentahydroxy-3'-prenylisoflavone; 2'',3''-Dihydro, 3''-hydroxy, 4',5'-di-Me ether C22H24O8 416.147117 NA MeJP NA NA +MJ058399 3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-[2-(Acetoxymethyl)-2-butenoyl](E) C22H24O8 416.147117 NA MeJP NA NA +MJ058400 3,4',5,6,7-Pentahydroxy-3'-prenylflavone; 2'',3''-Dihydro, 4''-hydroxy, 3,6-di-Me ether C22H24O8 416.147117 NA MeJP NA NA +MJ058401 3,4',5,6,7-Pentahydroxy-3'-prenylflavone; 2'',3''-Dihydro, 4''-hydroxy, 5,6-di-Me ether C22H24O8 416.147117 NA MeJP NA NA +MJ058402 3,4-Epoxy-2,8-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 2-Ketone, 8-(2-acetoxymethyl-2E-butenoyl) C22H24O8 416.147117 NA MeJP NA NA +MJ058403 3,6:7,8-Diepoxy-13-hydroxy-18-oxo-3,5,11,15-cembratetraen-20,10-olide, 11?,12?-Epoxide, Ac C22H24O8 416.147117 NA MeJP NA NA +MJ058404 3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-(3,4-Dihydroxy-E-cinnamoyl), butyl ester C22H24O8 416.147117 NA MeJP NA NA +MJ058405 4',7-Dihydroxyflavanone, 4'-Me ether, 7-O-?-L-rhamnopyranoside C22H24O8 416.147117 NA MeJP NA NA +MJ058406 4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-3,6,19,20-tetrol, 3,6,20-Triketone, 19-Ac C22H24O8 416.147117 NA MeJP NA NA +MJ058407 4,18:15,16-Diepoxy-6,7,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6,7-Diketone, 19-Ac C22H24O8 416.147117 NA MeJP NA NA +MJ058408 5,8,9-Trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-Angeloyl, 8-Ac C22H24O8 416.147117 NA MeJP NA NA +MJ058409 8,9-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 9-Ac C22H24O8 416.147117 NA MeJP NA NA +MJ058410 8,9-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-(2,3-Epoxy-2-methylbutanoyl), 8-Ac C22H24O8 416.147117 NA MeJP NA NA +MJ058411 8,9-Dihydroxy-2-oxo-3,10(14),11(13)-guaiatrien-12,6-olide, 8-[2-(Acetoxymethyl)-2-butenoyl](E-) C22H24O8 416.147117 NA MeJP NA NA +MJ058412 8,9-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 3?,4?-Epoxy, 9-ketone, 8-O-(2-acetoxymethyl-2E-butenoyl) C22H24O8 416.147117 NA MeJP NA NA +MJ058413 8-Hydroxypinoresinol; 8-Ac C22H24O8 416.147117 NA MeJP NA NA +MJ058414 9-Hydroxy-3,3',4,4',5-pentamethoxy-7,9'-epoxylignan-7'-one, 3,4-Di-de-O-Me, 3,4-methylene ether C22H24O8 416.147117 NA MeJP NA NA +MJ058415 Alnumycin C22H24O8 416.147117 NA MeJP NA NA +MJ058416 Antibiotic BE 41956B1 C22H24O8 416.147117 NA MeJP NA NA +MJ058417 Byakangelicin, 2'-O-Angeloyl C22H24O8 416.147117 NA MeJP NA NA +MJ058418 Deoxypodophyllic acid C22H24O8 416.147117 NA MeJP NA NA +MJ058419 Exfoliamycin; 3-Deoxy, 3,4-didehydro C22H24O8 416.147117 NA MeJP NA NA +MJ058420 Imbricaric acid; 2''-Oxo, O-de-Me C22H24O8 416.147117 NA MeJP NA NA +MJ058421 Isobyakangelicin, 2'-O-Angeloyl C22H24O8 416.147117 NA MeJP NA NA +MJ058422 Isopseudocyphellarin A; 2'-Me ether C22H24O8 416.147117 NA MeJP NA NA +MJ058423 Lirionol C22H24O8 416.147117 NA MeJP NA NA +MJ058424 Majucin; 4-Deoxy, 10-benzoyl C22H24O8 416.147117 NA MeJP NA NA +MJ058425 Plaunol D; 12-Ac C22H24O8 416.147117 NA MeJP NA NA +MJ058426 Podorhizol C22H24O8 416.147117 NA MeJP NA NA +MJ058427 Polemannone; 4,5;4',5'-Bis(methylenedioxy) C22H24O8 416.147117 NA MeJP NA NA +MJ058428 Pseudocyphellarin B; 1''-Aldehyde, 2'-Me ether C22H24O8 416.147117 NA MeJP NA NA +MJ058429 Richardianidin 1; 5?-Hydroxy C22H24O8 416.147117 NA MeJP NA NA +MJ058430 Richardianidin 1; Isomer, 5?-hydroxy C22H24O8 416.147117 NA MeJP NA NA +MJ058431 Salvilanguiduline A C22H24O8 416.147117 NA MeJP NA NA +MJ058432 Schizantherin P C22H24O8 416.147117 NA MeJP NA NA +MJ058433 Teubrevin A C22H24O8 416.147117 NA MeJP NA NA +PJ001108 GTCH C15H24N6O6S 416.1478 NA PeJP NA NA +MJ058434 O-?-D-Galactopyranosyl-(1?2)-O-?-D-glucopyranosyl-(1?1)-D-glycerol C15H28O13 416.15299 NA MeJP NA NA +PJ001109 GPDE C16H24N4O9 416.1544 NA PeJP NA NA +8040 synthetic peptide PWD 416.1579 antioxidative Inhouse_peptide NA peptide +MJ058435 Furnidipine C21H24N2O7 416.158351 NA MeJP NA NA +MJ058436 Oxopropaline D, 2'-O-?-L-Rhamnopyranoside C21H24N2O7 416.158351 NA MeJP NA NA +MJ058437 Oxopropaline D, 3'-O-?-L-Rhamnopyranoside C21H24N2O7 416.158351 NA MeJP NA NA +MJ058438 Disulfbumide C22H28N2O2S2 416.159219 NA MeJP NA NA +MJ058439 3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 6-(3-Chloro-2-hydroxy-2-methylbutanoyl) C20H29ClO7 416.16018 NA MeJP NA NA +FLIA1LNP0005 Munetone C26H24O5 416.16237 06/07/5772 knapsack NA NA +FLNAA9NP0004 Apetalolide C26H24O5 416.16237 22562-09-0 knapsack NA NA +MJ058440 7-Acetyl-1-(5-acetyl-2-benzofuranyl)-1,2,3,4-tetrahydro-4-hydroxy-1,4-dimethyldibenzofuran C26H24O5 416.162373 NA MeJP NA NA +MJ058441 Apetatolide C26H24O5 416.162373 NA MeJP NA NA +MJ058442 Calophyllolide C26H24O5 416.162373 NA MeJP NA NA +MJ058443 Munetone C26H24O5 416.162373 NA MeJP NA NA +MJ058444 Ohioensin C; 14?-Alcohol, 1,3,14-tri-Me ether C26H24O5 416.162373 NA MeJP NA NA +C09158 Calophyllolide C26H24O5 416.1624 NA KEGG NA NA +MJ058445 Pyrinoline C27H20N4O 416.163711 NA MeJP NA NA +PJ001110 SSSH C15H24N6O8 416.1656 NA PeJP NA NA +MJ058446 2-Phenylethanol; O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C19H28O10 416.168247 NA MeJP NA NA +MJ058447 2-Phenylethanol; O-[?-D-Xylopyranosyl-(1?3)-?-D-glucopyranoside] C19H28O10 416.168247 NA MeJP NA NA +MJ058448 2-Phenylethanol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C19H28O10 416.168247 NA MeJP NA NA +MJ058449 2-Phenylethanol; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C19H28O10 416.168247 NA MeJP NA NA +MJ058450 6-O-?-L-Rhamnopyranosyl-D-glucose; ?-Pyranose-form, Benzyl glycoside C19H28O10 416.168247 NA MeJP NA NA +MJ058451 Xanthiol C23H29ClN2OS 416.168911 NA MeJP NA NA +PJ001111 PDW C20H24N4O6 416.1696 NA PeJP NA NA +PJ001112 PPTC C17H28N4O6S 416.173 NA PeJP NA NA +MJ058452 Cyproterone; Ac C24H29ClO4 416.175437 NA MeJP NA NA +PJ001113 NHF C19H24N6O5 416.1808 NA PeJP NA NA +C09413 Erioflorin methacrylate C23H28O7 416.1835 NA KEGG NA NA +MJ058453 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 3,8-Bis(2-methylpropenoyl) C23H28O7 416.183503 NA MeJP NA NA +MJ058454 15,16-Epoxy-6-hydroxy-3,13(16),14-clerodatrien-20,12-olid-18-oic acid, 6-Ac, Me ester C23H28O7 416.183503 NA MeJP NA NA +MJ058455 3,3',4,4',5,5'-Hexahydroxy-7,7'-epoxylignan, 3,4-Methylene, 3',4',5,5'-tetra-Me ether C23H28O7 416.183503 NA MeJP NA NA +MJ058456 3,3',4,4',5-Pentahydroxylignan-9,9'-olide, Penta-Me ether C23H28O7 416.183503 NA MeJP NA NA +MJ058457 3,3',4,4',9,9'-Hexahydroxy-7,7'-epoxylignan, 3,4-Methylene, 3',4',9,9'-tetra-Me ether C23H28O7 416.183503 NA MeJP NA NA +MJ058458 3,4-Dihydro-7,8-dihydroxy-5-methoxy-3,10-dimethyl-4-oxo-2H-naphtho[2,3-b]pyran-3-butanoic acid; Isopropyl ester C23H28O7 416.183503 NA MeJP NA NA +MJ058459 3-(3,4-Dimethoxybenzyl)-4-(3,4,5-trimethoxybenzyl)-2(3H)-furanone C23H28O7 416.183503 NA MeJP NA NA +MJ058460 5,6-Dihydroxy-7-protoilluden-14-al, 14-Carboxylic acid, 5-(2,4-dihydroxy-6-methylbenzoyl) C23H28O7 416.183503 NA MeJP NA NA +MJ058461 6,7,11-Trihydroxy-3-oxo-1,8,11,13-abietatetraen-19-oic acid, 6-Ac, Me ester C23H28O7 416.183503 NA MeJP NA NA +MJ058462 7-Protoilludene-1,5,6,14-tetrol, 14-Aldehyde, 5-(2,4-dihydroxy-6-methylbenzoyl) C23H28O7 416.183503 NA MeJP NA NA +MJ058463 8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8-(2-Methylpropenoyl), 11-(2-methylpropanoyl) C23H28O7 416.183503 NA MeJP NA NA +MJ058464 Chrysophyllon IB C23H28O7 416.183503 NA MeJP NA NA +MJ058465 Chrysophyllon IIB C23H28O7 416.183503 NA MeJP NA NA +MJ058466 Chrysophyllon IIIB C23H28O7 416.183503 NA MeJP NA NA +MJ058467 Clusin; 9-Epimer, Me ether C23H28O7 416.183503 NA MeJP NA NA +MJ058468 Clusin; Me ether C23H28O7 416.183503 NA MeJP NA NA +MJ058469 Divaricatic acid ; 2,2'-Di-Me ether C23H28O7 416.183503 NA MeJP NA NA +MJ058470 Gomisin A C23H28O7 416.183503 NA MeJP NA NA +MJ058471 Gomisin O C23H28O7 416.183503 NA MeJP NA NA +MJ058472 Hexademethylpyrimidatin A; 3',4,4',5,5'-Penta-Me ether C23H28O7 416.183503 NA MeJP NA NA +MJ058473 Hexademethylpyrimidatin A; 3,4,4',5,5'-Penta-Me ether C23H28O7 416.183503 NA MeJP NA NA +MJ058474 Hexademethylpyrimidatin A; Atropisomer, 3',4,4',5,5'-penta-Me ether C23H28O7 416.183503 NA MeJP NA NA +MJ058475 Hexademethylpyrimidatin A; Atropisomer, 3,3',4,4',5'-penta-Me ether C23H28O7 416.183503 NA MeJP NA NA +MJ058476 Imbricaric acid C23H28O7 416.183503 NA MeJP NA NA +MJ058477 Isogomisin O C23H28O7 416.183503 NA MeJP NA NA +MJ058478 Isosphaeric acid C23H28O7 416.183503 NA MeJP NA NA +MJ058479 Kadsulignan A C23H28O7 416.183503 NA MeJP NA NA +MJ058480 Magnofargesin C23H28O7 416.183503 NA MeJP NA NA +MJ058481 Magnoliadiol C23H28O7 416.183503 NA MeJP NA NA +MJ058482 Magnolin C23H28O7 416.183503 NA MeJP NA NA +MJ058483 Megaphyllone; Ac C23H28O7 416.183503 NA MeJP NA NA +MJ058484 Norlobariol C23H28O7 416.183503 NA MeJP NA NA +MJ058485 Schizanlignone B C23H28O7 416.183503 NA MeJP NA NA +MJ058486 Sphaerophorin C23H28O7 416.183503 NA MeJP NA NA +MJ058487 Stenosporic acid C23H28O7 416.183503 NA MeJP NA NA +MJ058488 Virolongin A, 9'-Oxo C23H28O7 416.183503 NA MeJP NA NA +MJ058489 Xanthomonasin B C23H28O7 416.183503 NA MeJP NA NA +PJ001114 APTE C17H28N4O8 416.1907 NA PeJP NA NA +MJ058490 7-Hydroxy-3-oxo-3,7-secorhynchophylline C22H28N2O6 416.194736 NA MeJP NA NA +MJ058491 Chitosenine C22H28N2O6 416.194736 NA MeJP NA NA +MJ058492 Elymoclavine; O-?-D-Fructofuranoside C22H28N2O6 416.194736 NA MeJP NA NA +MJ058493 Gardneramine oxindole; 16-Epimer, O18-de-Me C22H28N2O6 416.194736 NA MeJP NA NA +MJ058494 Gardneramine oxindole; O18-De-Me C22H28N2O6 416.194736 NA MeJP NA NA +MJ058495 Rotundifoline; N-Oxide C22H28N2O6 416.194736 NA MeJP NA NA +MJ058496 4-Ethyl-2-propyl-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid C23H24N6O2 416.196074 NA MeJP NA NA +MJ058497 9,10-Dihydro-2,4,7-trihydroxy-1-(4-hydroxybenzyl)-8-prenylphenanthrene; 2-Me ether C27H28O4 416.198759 NA MeJP NA NA +MJ058498 9,10-Dihydro-2,4,7-trihydroxy-1-(4-hydroxybenzyl)-8-prenylphenanthrene; 4-Me ether C27H28O4 416.198759 NA MeJP NA NA +MJ058499 Hosloquinone; Benzoyl C27H28O4 416.198759 NA MeJP NA NA +MJ058500 Spirasineol B C27H28O4 416.198759 NA MeJP NA NA +PJ001115 AAQQ C16H28N6O7 416.202 NA PeJP NA NA +C07310 Spironolactone C24H32O4S 416.2021 NA KEGG NA NA +MJ058501 Spironolactone C24H32O4S 416.20213 NA MeJP NA NA +MJ058502 2-(5-Hydroxy-2-pentenyl)-3-oxocyclopentaneacetic acid, O-?-D-Glucopyranoside, Et ester C20H32O9 416.204632 NA MeJP NA NA +MJ058503 2-Methyl-6-methylene-2-octene-1,8-diol, 8-O-(2,6-Diacetyl-?-D-glucopyranoside) C20H32O9 416.204632 NA MeJP NA NA +MJ058504 2-Methyl-6-methylene-2-octene-1,8-diol, 1-Ac, 8-O-(6-acetyl-?-D-glucopyranoside) C20H32O9 416.204632 NA MeJP NA NA +MJ058505 2-Methyl-6-methylene-2-octene-1,8-diol, 8-O-(2,6-Diacetyl-?-D-glucopyranoside) C20H32O9 416.204632 NA MeJP NA NA +MJ058506 2-Methyl-6-methylene-7-octene-2,3-diol; 2-O-(2-O-Acetyl-?-D-glucopyranoside), 3-Ac C20H32O9 416.204632 NA MeJP NA NA +MJ058507 Cassioside C20H32O9 416.204632 NA MeJP NA NA +PJ001116 GPPF C21H28N4O5 416.206 NA PeJP NA NA +PJ001117 GPLM C18H32N4O5S 416.2094 NA PeJP NA NA +PJ001118 NQR C15H28N8O6 416.2132 NA PeJP NA NA +MJ058508 Zanoterone C23H32N2O3S 416.213363 NA MeJP NA NA +MJ058509 1,2-Dimethyl-3,4-bis(2,4,5-trimethoxyphenyl)cyclobutane C24H32O6 416.219888 NA MeJP NA NA +MJ058510 1,20-Dihydroxy-13-oxo-1,3(20),6,10,15(17)-phytapentaen-16-al, Di-Ac C24H32O6 416.219888 NA MeJP NA NA +MJ058511 1,6-Dihydroxyfuranoeremophilan-9-one, 1-Angeloyl, 6-(methylpropanoyl) C24H32O6 416.219888 NA MeJP NA NA +MJ058512 14,15-Epoxy-3,12,16-trihydroxybufa-20,22-dienolide C24H32O6 416.219888 NA MeJP NA NA +MJ058513 14,15-Epoxy-3,16,19-trihydroxybufa-20,22-dienolide C24H32O6 416.219888 NA MeJP NA NA +MJ058514 14,15-Epoxy-3,5,11-trihydroxybufa-20,22-dienolide C24H32O6 416.219888 NA MeJP NA NA +MJ058515 14,15-Epoxy-3,5,16-trihydroxybufa-20,22-dienolide C24H32O6 416.219888 NA MeJP NA NA +MJ058516 17,18-Epoxy-6,18-dihydroxy-1(19),7,10(17),13-xenicatetraen-11-one, Di-Ac C24H32O6 416.219888 NA MeJP NA NA +MJ058517 2,14-Dihydroxy-5,8(17),11-briaratrien-18,7-olide, 2,14-Di-Ac C24H32O6 416.219888 NA MeJP NA NA +MJ058518 3,11,14-Trihydroxy-12-oxobufa-20,22-dienolide C24H32O6 416.219888 NA MeJP NA NA +MJ058519 3,12,14-Trihydroxy-11-oxobufa-20,22-dienolide C24H32O6 416.219888 NA MeJP NA NA +MJ058520 3,19-Dihydroxy-13(16),14-spongiadien-2-one; 3?-form, Di-Ac C24H32O6 416.219888 NA MeJP NA NA +MJ058521 3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide C24H32O6 416.219888 NA MeJP NA NA +MJ058522 3,6-Dihydroxyfuranoeremophilan-9-one, 3-(2-Methyl-2-propenoyl), 6-(3-methylbutanoyl) C24H32O6 416.219888 NA MeJP NA NA +MJ058523 3,6-Dihydroxyfuranoeremophilan-9-one, 3-(3-Methyl-2-butenoyl), 6-(2-methylpropanoyl) C24H32O6 416.219888 NA MeJP NA NA +MJ058524 3,6-Dihydroxyfuranoeremophilan-9-one, 3-Tigloyl, 6-(2-methylpropanoyl) C24H32O6 416.219888 NA MeJP NA NA +MJ058525 4,6-Dihydroxy-7-daucen-9-one, 6-(3,4-Dimethoxybenzoyl) C24H32O6 416.219888 NA MeJP NA NA +MJ058526 6,14-Dihydroxy-3,7,11,15(17)-cembratetraen-16,2-olide, Di-Ac C24H32O6 416.219888 NA MeJP NA NA +MJ058527 6,7-Dihydroxy-16-atisene-19,20-dial, Di-Ac C24H32O6 416.219888 NA MeJP NA NA +MJ058528 6,7-Dihydroxy-17-vouacapanoic acid, 17-Aldehyde, 6,7-di-Ac C24H32O6 416.219888 NA MeJP NA NA +MJ058529 6,9-Dihydroxyfuranoeremophilan-1-one, 6-Angeloyl, 9-(2-Methylpropanoyl) C24H32O6 416.219888 NA MeJP NA NA +MJ058530 6-Protoilludene-5,8,14-triol, 5-O-(2-Hydroxy-4-methoxy-6-methylbenzoyl) C24H32O6 416.219888 NA MeJP NA NA +MJ058531 7,14-Dihydroxy-11,16-dioxo-8-apianen-22,6-olide, 7-Me ether C24H32O6 416.219888 NA MeJP NA NA +MJ058532 7,18:11,12-Diepoxy-5,7,17-briaratriene-4,14-diol; Di-Ac C24H32O6 416.219888 NA MeJP NA NA +MJ058533 7,8-Epoxy-2,3,14-trihydroxybufa-20,22-dienolide C24H32O6 416.219888 NA MeJP NA NA +MJ058534 8,20-Dihydroxy-14-serrulaten-19-oic acid; Di-Ac C24H32O6 416.219888 NA MeJP NA NA +MJ058535 8-Daucene-2,4,6-triol, 6-(4-Hydroxybenzoyl), 2-Ac C24H32O6 416.219888 NA MeJP NA NA +MJ058536 Atranone A C24H32O6 416.219888 NA MeJP NA NA +MJ058537 Blancoic acid C24H32O6 416.219888 NA MeJP NA NA +MJ058538 Cauferinin C24H32O6 416.219888 NA MeJP NA NA +MJ058539 Citreoviridin D C24H32O6 416.219888 NA MeJP NA NA +MJ058540 Deoxyschizandrin C24H32O6 416.219888 NA MeJP NA NA +MJ058541 Desonide C24H32O6 416.219888 NA MeJP NA NA +MJ058542 Diasarone 1 C24H32O6 416.219888 NA MeJP NA NA +MJ058543 Diasarone 2 C24H32O6 416.219888 NA MeJP NA NA +MJ058544 Feropolol; 3'-Ketone C24H32O6 416.219888 NA MeJP NA NA +MJ058545 Methylprednisolone; 21-Ac C24H32O6 416.219888 NA MeJP NA NA +MJ058546 Okilactomycin C24H32O6 416.219888 NA MeJP NA NA +MJ058547 Oligosporol A; 1-Ketone C24H32O6 416.219888 NA MeJP NA NA +MJ058548 Phyltetralin C24H32O6 416.219888 NA MeJP NA NA +MJ058549 Rietone C24H32O6 416.219888 NA MeJP NA NA +MJ058550 Sidisterone C24H32O6 416.219888 NA MeJP NA NA +MJ058551 Umbelliprenin; 10',11'-Dihydro, 9',10',11'-trihydroxy (9R*,10S*) C24H32O6 416.219888 NA MeJP NA NA +MJ058552 Verrucosidin C24H32O6 416.219888 NA MeJP NA NA +C08179 Methylprednisolone acetate C24H32O6 416.2199 NA KEGG NA NA +C16951 Deoxyschizandrin C24H32O6 416.2199 NA KEGG NA NA +C16969 Hellebrigenin C24H32O6 416.2199 NA KEGG NA NA +MJ058553 N-[4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl]-3-methyl-4-(4-pyridinyl)benzamide C25H28N4O2 416.221226 NA MeJP NA NA +PJ001119 GVLE C18H32N4O7 416.2271 NA PeJP NA NA +MJ058554 6-Bromo-5,9-docosadienoic acid C22H41BrO2 416.228993 NA MeJP NA NA +8019 synthetic peptide LWV 416.231 antibacterial Inhouse_peptide NA peptide +MJ058555 Cadiamine; O8-(Hydroxyphenylacetyl) C23H32N2O5 416.231122 NA MeJP NA NA +MJ058556 Ramiprilat; 4'-Et ester C23H32N2O5 416.231122 NA MeJP NA NA +MJ058557 Sitsirikine; 16-Epimer, dihydro, 10,11-dimethoxy C23H32N2O5 416.231122 NA MeJP NA NA +MJ058558 Zabiciprilat; 1-Et ester C23H32N2O5 416.231122 NA MeJP NA NA +HMDB07007 CPA(18:2(9Z,12Z)/0:0) C21H37O6P 416.232788 NA HMDB2010 NA NA +PJ001120 LER C17H32N6O6 416.2384 NA PeJP NA NA +MJ058559 1(10),4-Germacradiene-2,6,11-triol, 6-O-?-D-Glucopyranoside C21H36O8 416.241018 NA MeJP NA NA +MJ058560 10,11-Epoxy-2,7-guaianediol, 2-O-?-D-Glucopyranoside C21H36O8 416.241018 NA MeJP NA NA +MJ058561 10,11-Epoxy-2,8-guaianediol, 8-O-?-D-Glucopyranoside C21H36O8 416.241018 NA MeJP NA NA +MJ058562 11-Eudesmene-3,4,8-triol, 3-O-?-D-Glucopyranoside C21H36O8 416.241018 NA MeJP NA NA +MJ058563 3-Eudesmene-1,6,11-triol, 6-O-?-D-Glucopyranoside C21H36O8 416.241018 NA MeJP NA NA +MJ058564 4(15)-Eudesmene-1,6,11-triol, 6-O-?-D-Glucopyranoside C21H36O8 416.241018 NA MeJP NA NA +MJ058565 4(15)-Eudesmene-2,3,11-triol, 11-O-?-D-Glucopyranoside C21H36O8 416.241018 NA MeJP NA NA +MJ058566 6-Eudesmene-3,5,9-triol, 3-O-?-D-Glucopyranoside C21H36O8 416.241018 NA MeJP NA NA +MJ058567 9-Eremophilene-1,11,12-triol, 12-O-?-D-Glucopyranoside C21H36O8 416.241018 NA MeJP NA NA +MJ058568 Pregnane-3,5,6,8,12,14,17,20-octol C21H36O8 416.241018 NA MeJP NA NA +MJ058569 Elarofiban C22H32N4O4 416.242355 NA MeJP NA NA +MJ058570 Tentoxin, 8?,14-Dihydro C22H32N4O4 416.242355 NA MeJP NA NA +C16823 Distigmine C22H32N4O4 416.2424 NA KEGG NA NA +C16824 Protein L-selenocysteine C22H32N4O4 416.2424 NA KEGG NA NA +PJ001121 VLW C22H32N4O4 416.2424 NA PeJP NA NA +MJ058571 Forasartan C23H28N8 416.243692 NA MeJP NA NA +PJ001122 NKR C16H32N8O5 416.2496 NA PeJP NA NA +MJ058572 Trecetilide C21H37FN2O3S 416.250891 NA MeJP NA NA +MJ058573 Alfentanil C21H32N6O3 416.253588 NA MeJP NA NA +MJ058574 Efegatran C21H32N6O3 416.253588 NA MeJP NA NA +C08005 Alfentanil C21H32N6O3 416.2536 NA KEGG NA NA +MJ058575 11-Eremophilene-3,8,9-triol, 8-Ketone, 3,9-bis(3-methyl-2-butenoyl) C25H36O5 416.256274 NA MeJP NA NA +MJ058576 11-Eremophilene-3,8,9-triol, 8-Ketone, 3,9-diangeloyl C25H36O5 416.256274 NA MeJP NA NA +MJ058577 11-Eremophilene-3,8,9-triol, 8-Ketone, 3-(3-methyl-2-butenoyl), 9-tigloyl C25H36O5 416.256274 NA MeJP NA NA +MJ058578 11-Eremophilene-3,8,9-triol, 8-Ketone, 3-angeloyl, 9-(3-methyl-2-butenoyl) C25H36O5 416.256274 NA MeJP NA NA +MJ058579 11-Eremophilene-3,8,9-triol, 8-Ketone, 3-tigloyl, 9-(3-methyl-2-butenoyl) C25H36O5 416.256274 NA MeJP NA NA +MJ058580 12,18-Dihydroxy-16-kauren-19-oic acid, 18-(3-Methyl-2-butenoyl) C25H36O5 416.256274 NA MeJP NA NA +MJ058581 13,16-Epoxy-2-hydroxy-7,13(16),14-labdatrien-18-oic acid; 2?-form, O-(2-Methylbutanoyl) C25H36O5 416.256274 NA MeJP NA NA +MJ058582 13,16-Epoxy-2-hydroxy-7,13(16),14-labdatrien-18-oic acid; 2?-form, O-(3-Methylbutanoyl) C25H36O5 416.256274 NA MeJP NA NA +MJ058583 15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 18-Carboxylic acid, 19-(3-methylbutanoyl) C25H36O5 416.256274 NA MeJP NA NA +MJ058584 15,16-Epoxy-6-hydroxy-7,13(16),14-labdatrien-17-oic acid; 6?-form, 6-(2-Methylbutanoyl) C25H36O5 416.256274 NA MeJP NA NA +MJ058585 15,16-Epoxy-6-hydroxy-7,13(16),14-labdatrien-17-oic acid; 6?-form, 6-(3-Methylbutanoyl) C25H36O5 416.256274 NA MeJP NA NA +MJ058586 15-Hydroxy-16-kauren-19-oic acid, 16?,17-Epoxide, 15-angeloyl C25H36O5 416.256274 NA MeJP NA NA +MJ058587 15-Hydroxy-16-kauren-19-oic acid, 2,3-Epoxy-2-methylbutanoyl C25H36O5 416.256274 NA MeJP NA NA +MJ058588 15-Hydroxy-16-kauren-19-oic acid, 16?,17-Epoxide, 15-tigloyl C25H36O5 416.256274 NA MeJP NA NA +MJ058589 25-Hydroxy-15,17-cheilanthadien-19,25-olid-24-oic acid C25H36O5 416.256274 NA MeJP NA NA +MJ058590 3,18-Dihydroxy-8(17),13-labdadien-15,16-olide, 3-Angeloyl C25H36O5 416.256274 NA MeJP NA NA +MJ058591 3,8-Dihydroxy-4-daucen-9-one, Diangeloyl C25H36O5 416.256274 NA MeJP NA NA +MJ058592 3,9-Dihydroxy-16-kauren-19-oic acid, 3-Angeloyl C25H36O5 416.256274 NA MeJP NA NA +MJ058593 3-Heptyl-7-hydroxy-7-methyl-7H-2-benzopyran-6,8-dione; Octanoyl C25H36O5 416.256274 NA MeJP NA NA +MJ058594 3-Hydroxypregn-5-en-20-one, 3-Carboxypropanoyl C25H36O5 416.256274 NA MeJP NA NA +MJ058595 4,6-Eudesmanediol, 6-O-(4-Hydroxy-3-methoxycinnamoyl) C25H36O5 416.256274 NA MeJP NA NA +MJ058596 5-Hydroxy-2-oxo-1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-3-cyclohexene-1-acetic acid; Ac C25H36O5 416.256274 NA MeJP NA NA +MJ058597 6-Hydroxy-3,13-clerodadien-15,16-olide, 3?,4?-Epoxide, 6-angeloyl C25H36O5 416.256274 NA MeJP NA NA +MJ058598 6-Hydroxy-3,13-clerodadien-15,16-olide, 3?,4?-Epoxide, 6-tigloyl C25H36O5 416.256274 NA MeJP NA NA +MJ058599 7,11-Epoxy-1,3,5-farnesatriene-9,10-diol, Diangeloyl C25H36O5 416.256274 NA MeJP NA NA +MJ058600 7,23-Dihydroxy-21,24,25,26,27-pentanorapotirucall-1-ene-3,15,22-trione; 7?-form C25H36O5 416.256274 NA MeJP NA NA +MJ058601 8,10-Dihydroxy-3-longipinen-5-one, 10-O-(3-Methyl-2-butenoyl), 8-O-(3-methylbutanoyl) C25H36O5 416.256274 NA MeJP NA NA +MJ058602 8,10-Dihydroxy-3-longipinen-5-one, 10-Tigloyl, 8-O-(3-methylbutanoyl) C25H36O5 416.256274 NA MeJP NA NA +MJ058603 8,10-Dihydroxy-5-longipinanone, Diangeloyl C25H36O5 416.256274 NA MeJP NA NA +MJ058604 8,11-Epoxy-7,11-dihydroxy-3,9,12-eunicellatrien-2-one, 7-(3-Methylbutanoyl) C25H36O5 416.256274 NA MeJP NA NA +MJ058605 8,12-Dihydroxy-5-longipinanone, 8-Angeloyl, 12-tigloyl C25H36O5 416.256274 NA MeJP NA NA +MJ058606 8,12-Dihydroxy-5-longipinanone, Diangeloyl C25H36O5 416.256274 NA MeJP NA NA +MJ058607 9,10-Dihydroxy-3-longipinen-5-one, 10-Angeloyl, 9-(2-methylbutanoyl) C25H36O5 416.256274 NA MeJP NA NA +MJ058608 9,10-Dihydroxy-5-longipinanone, Diangeloyl C25H36O5 416.256274 NA MeJP NA NA +MJ058609 9,15-Dihydroxy-16-kauren-19-oic acid, 15-(3-Methyl-2-butenoyl) C25H36O5 416.256274 NA MeJP NA NA +MJ058610 9,15-Dihydroxy-16-kauren-19-oic acid, 15-Angeloyl C25H36O5 416.256274 NA MeJP NA NA +MJ058611 9,15-Dihydroxy-16-kauren-19-oic acid, 15-Tigloyl C25H36O5 416.256274 NA MeJP NA NA +MJ058612 Colupdox a; 1'-Deoxy C25H36O5 416.256274 NA MeJP NA NA +MJ058613 Colupox a C25H36O5 416.256274 NA MeJP NA NA +MJ058614 Furanoeremophilane-3,6-diol, 3-Angeloyl, 6-(3-methylbutanoyl) C25H36O5 416.256274 NA MeJP NA NA +MJ058615 Luffariellin A C25H36O5 416.256274 NA MeJP NA NA +MJ058616 Luffariellin B C25H36O5 416.256274 NA MeJP NA NA +MJ058617 Luffarin A C25H36O5 416.256274 NA MeJP NA NA +MJ058618 Luffarin B C25H36O5 416.256274 NA MeJP NA NA +MJ058619 Macrolactin M C25H36O5 416.256274 NA MeJP NA NA +MJ058620 Manoalide C25H36O5 416.256274 NA MeJP NA NA +MJ058621 Neomangicol C C25H36O5 416.256274 NA MeJP NA NA +MJ058622 Neovibsanin H C25H36O5 416.256274 NA MeJP NA NA +MJ058623 Pregna-5,20-diene-3,7,11-triol, 3,7-Di-Ac C25H36O5 416.256274 NA MeJP NA NA +MJ058624 Pregna-5,20-diene-3,7,19-triol, 3,19-Di-Ac C25H36O5 416.256274 NA MeJP NA NA +MJ058625 Remiprostol C25H36O5 416.256274 NA MeJP NA NA +MJ058626 Salvileucolide; 23?6-Lactone C25H36O5 416.256274 NA MeJP NA NA +MJ058627 Salvileucolidone C25H36O5 416.256274 NA MeJP NA NA +MJ058628 Secomanoalide C25H36O5 416.256274 NA MeJP NA NA +MJ058629 Strobilinin, 11,12-Dihydro, 11-hydroxy C25H36O5 416.256274 NA MeJP NA NA +MJ058630 Trunculin C; Me ester C25H36O5 416.256274 NA MeJP NA NA +MJ058631 Variabilin, 6,7-Dihydro, 7-hydroxy C25H36O5 416.256274 NA MeJP NA NA +MJ058632 Vibsanin B C25H36O5 416.256274 NA MeJP NA NA +MJ058633 Vibsanin C C25H36O5 416.256274 NA MeJP NA NA +MJ058634 Vibsanin E C25H36O5 416.256274 NA MeJP NA NA +C15289 16alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate C25H36O5 416.2563 NA KEGG NA NA +C15290 2alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate C25H36O5 416.2563 NA KEGG NA NA +PJ001123 ATLL C19H36N4O6 416.2635 NA PeJP NA NA +MJ058635 Lucidene C29H36O2 416.27153 NA MeJP NA NA +C17989 Istamycin A3 C18H36N6O5 416.2747 NA KEGG NA NA +C17993 Istamycin B3 C18H36N6O5 416.2747 NA KEGG NA NA +PJ001124 AAKK C18H36N6O5 416.2747 NA PeJP NA NA +MJ058636 Istamycin A3 C18H36N6O5 416.274718 NA MeJP NA NA +MJ058637 Sporaricin A; N*-Formimidoyl C18H36N6O5 416.274718 NA MeJP NA NA +MJ058638 2-Hydroxy-1,2,3-nonadecanetricarboxylic acid C22H40O7 416.277403 NA MeJP NA NA +MJ058639 12,16-Dihydroxy-25-nor-17-scalaren-24-al, 12-Ac C26H40O4 416.292659 NA MeJP NA NA +MJ058640 12,22,24-Trihydroxy-24-methyl-16-scalaren-25-oic acid, 25?12 Lactone C26H40O4 416.292659 NA MeJP NA NA +MJ058641 12,22-Dihydroxy-20-methyl-17-scalaren-25,24-olide; 12?-form C26H40O4 416.292659 NA MeJP NA NA +MJ058642 2-Alkyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 5,7-Dihydroxy-6,8-dimethyl-2-pentadecyl-4H-1-benzopyran-4-one C26H40O4 416.292659 NA MeJP NA NA +MJ058643 3,29-Dihydroxy-24,25,26,27-tetranorlanost-8-eno-23,17-lactone C26H40O4 416.292659 NA MeJP NA NA +MJ058644 3,6,11-Trihydroxy-24-nor-9,11-secocholesta-7,22-dien-9-one, 11-Aldehyde C26H40O4 416.292659 NA MeJP NA NA +MJ058645 Glaciasterol A C26H40O4 416.292659 NA MeJP NA NA +MJ058646 Plakortolide D C26H40O4 416.292659 NA MeJP NA NA +MJ058647 Viburnol K C26H40O4 416.292659 NA MeJP NA NA +C14634 Methandriol dipropionate C26H40O4 416.2927 NA KEGG NA NA +MJ058648 2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaen-1-al C30H40O 416.307915 NA MeJP NA NA +MJ058649 8'-Apo-?-caroten-8'-al C30H40O 416.307915 NA MeJP NA NA +MJ058650 Apo-8'-lycopenal C30H40O 416.307915 NA MeJP NA NA +MJ058651 Assufulvenal C30H40O 416.307915 NA MeJP NA NA +MetaCyc03458 β-apo-8'-carotenal [] C30H40O1 416.307916 NA metacyc NA NA +EUR092 1,25-DihydroxyVitaminD C27H44O3 416.329 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR093 Vitamin D C27H44O3 416.329 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR092 1,25-DihydroxyVitaminD C27H44O3 416.329 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR093 Vitamin D C27H44O3 416.329 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR092 1,25-DihydroxyVitaminD C27H44O3 416.329 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR093 Vitamin D C27H44O3 416.329 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR092 1,25-DihydroxyVitaminD C27H44O3 416.329 Wishlist Inhousejuil11 NA NA +EUR093 Vitamin D C27H44O3 416.329 Wishlist Inhousejuil11 NA NA +C01673 Calcitriol C27H44O3 416.329 NA KEGG NA NA +C03963 (25S)-5beta-Spirostan-3beta-ol C27H44O3 416.329 NA KEGG NA NA +C07712 Secalciferol C27H44O3 416.329 NA KEGG NA NA +C08127 Paricalcitol C27H44O3 416.329 NA KEGG NA NA +C08128 Transferred to D00931 C27H44O3 416.329 NA KEGG NA NA +C08913 Smilagenin C27H44O3 416.329 NA KEGG NA NA +C08914 Tigogenin C27H44O3 416.329 NA KEGG NA NA +C12919 1-alpha,24(R)-Dihydroxyvitamin D3 C27H44O3 416.329 NA KEGG NA NA +C12920 Transferred to D01473 C27H44O3 416.329 NA KEGG NA NA +C12921 Transferred to D01474 C27H44O3 416.329 NA KEGG NA NA +C12922 Transferred to D01475 C27H44O3 416.329 NA KEGG NA NA +C12923 Transferred to D01476 C27H44O3 416.329 NA KEGG NA NA +C12924 Transferred to D01477 C27H44O3 416.329 NA KEGG NA NA +C12925 Transferred to D01478 C27H44O3 416.329 NA KEGG NA NA +C12926 Transferred to D01479 C27H44O3 416.329 NA KEGG NA NA +C12927 Transferred to D01480 C27H44O3 416.329 NA KEGG NA NA +C12928 Transferred to D01481 C27H44O3 416.329 NA KEGG NA NA +C12929 Transferred to D01482 C27H44O3 416.329 NA KEGG NA NA +C12930 Transferred to D01483 C27H44O3 416.329 NA KEGG NA NA +C12931 Transferred to D01484 C27H44O3 416.329 NA KEGG NA NA +C12932 Transferred to D01485 C27H44O3 416.329 NA KEGG NA NA +C15633 5,6-24(S),25-Diepoxycholesterol C27H44O3 416.329 NA KEGG NA NA +C16493 3beta,5beta-Ketodiol C27H44O3 416.329 NA KEGG NA NA +C16819 Neotigogenin C27H44O3 416.329 NA KEGG NA NA +C17331 7alpha,24-Dihydroxy-4-cholesten-3-one C27H44O3 416.329 NA KEGG NA NA +C17332 7alpha,25-Dihydroxy-4-cholesten-3-one C27H44O3 416.329 NA KEGG NA NA +C17333 3beta-Hydroxy-5-cholestenoate C27H44O3 416.329 NA KEGG NA NA +C17336 7alpha,26-Dihydroxy-4-cholesten-3-one C27H44O3 416.329 NA KEGG NA NA +C17339 4-Cholesten-7alpha,12alpha-diol-3-one C27H44O3 416.329 NA KEGG NA NA +HMDB00430 24,25-Dihydroxyvitamin D C27H44O3 416.32904 http://www.hmdb.ca/metabolites/HMDB00430 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01420 25,26-dihydroxyvitamin D C27H44O3 416.32904 http://www.hmdb.ca/metabolites/HMDB01420 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01903 Calcitriol C27H44O3 416.32904 http://www.hmdb.ca/metabolites/HMDB01903 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00430 24,25-Dihydroxyvitamin D C27H44O3 416.32904 http://www.hmdb.ca/metabolites/HMDB00430 HMDB NA NA +HMDB01420 25,26-dihydroxyvitamin D C27H44O3 416.32904 http://www.hmdb.ca/metabolites/HMDB01420 HMDB NA NA +HMDB01903 Calcitriol C27H44O3 416.32904 http://www.hmdb.ca/metabolites/HMDB01903 HMDB NA NA +HMDB02197 7a,12a-Dihydroxy-cholestene-3-one C27H44O3 416.32904 http://www.hmdb.ca/metabolites/HMDB02197 HMDB NA NA +HMDB06226 24R,25-Dihydroxyvitamin D3 C27H44O3 416.32904 http://www.hmdb.ca/metabolites/HMDB06226 HMDB NA NA +HMDB06720 23S,25-dihydroxyvitamin D3 C27H44O3 416.32904 http://www.hmdb.ca/metabolites/HMDB06720 HMDB NA NA +HMDB00430 24,25-Dihydroxyvitamin D C27H44O3 416.32904 http://www.hmdb.ca/metabolites/HMDB00430 PFEM_hmdb_metabocards_blood NA blood +HMDB01420 25,26-dihydroxyvitamin D C27H44O3 416.32904 http://www.hmdb.ca/metabolites/HMDB01420 PFEM_hmdb_metabocards_blood NA blood +HMDB01903 Calcitriol C27H44O3 416.32904 http://www.hmdb.ca/metabolites/HMDB01903 PFEM_hmdb_metabocards_blood NA blood +HMDB00430 24,25-Dihydroxyvitamin D C27H44O3 416.32904 HMDB00430 PFEM_hmdb_metabocards_official NA NA +HMDB01420 25,26-dihydroxyvitamin D C27H44O3 416.32904 HMDB01420 PFEM_hmdb_metabocards_official NA NA +HMDB01903 Calcitriol C27H44O3 416.32904 HMDB01903 PFEM_hmdb_metabocards_official NA NA +HMDB02197 7a,12a-Dihydroxy-cholestene-3-one C27H44O3 416.32904 HMDB02197 PFEM_hmdb_metabocards_official NA NA +HMDB06226 24R,25-Dihydroxyvitamin D3 C27H44O3 416.32904 HMDB06226 PFEM_hmdb_metabocards_official NA NA +HMDB06720 23S,25-dihydroxyvitamin D3 C27H44O3 416.32904 HMDB06720 PFEM_hmdb_metabocards_official NA NA +HMDB00430 24,25-Dihydroxyvitamin D C27H44O3 416.329041 NA HMDB2010 NA NA +HMDB01420 25,26-dihydroxyvitamin D C27H44O3 416.329041 NA HMDB2010 NA NA +HMDB01903 Calcitriol C27H44O3 416.329041 NA HMDB2010 NA NA +HMDB02197 7a,12a-Dihydroxy-cholestene-3-one C27H44O3 416.329041 NA HMDB2010 NA NA +HMDB06226 24R,25-Dihydroxyvitamin D3 C27H44O3 416.329041 NA HMDB2010 NA NA +HMDB06720 23S,25-dihydroxyvitamin D3 C27H44O3 416.329041 NA HMDB2010 NA NA +HMDB12453 3 beta-Hydroxy-5-cholestenoate C27H44O3 416.329041 NA HMDB2010 NA NA +HMDB12457 7 alpha,24-Dihydroxy-4-cholesten-3-one C27H44O3 416.329041 NA HMDB2010 NA NA +HMDB12459 7 alpha,26-Dihydroxy-4-cholesten-3-one C27H44O3 416.329041 NA HMDB2010 NA NA +EUR092 1,25-DihydroxyVitaminD C27H44O3 416.329045 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR093 Vitamin D C27H44O3 416.329045 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR092 1,25-DihydroxyVitaminD C27H44O3 416.329045 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR093 Vitamin D C27H44O3 416.329045 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR092 1,25-DihydroxyVitaminD C27H44O3 416.329045 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR093 Vitamin D C27H44O3 416.329045 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR092 1,25-DihydroxyVitaminD C27H44O3 416.329045 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR093 Vitamin D C27H44O3 416.329045 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR092 1,25-DihydroxyVitaminD C27H44O3 416.329045 Wishlist HMDB NA NA +EUR093 Vitamin D C27H44O3 416.329045 Wishlist HMDB NA NA +EUR092 1,25-DihydroxyVitaminD C27H44O3 416.329045 Wishlist Inhouse_PFEM NA NA +EUR093 Vitamin D C27H44O3 416.329045 Wishlist Inhouse_PFEM NA NA +MJ058652 11-Hydroxycholestane-3,6-dione C27H44O3 416.329045 NA MeJP NA NA +MJ058653 16,20-Dihydroxycholest-4-en-3-one C27H44O3 416.329045 NA MeJP NA NA +MJ058654 16,20-Dihydroxycholestan-3-one, 16-Ketone C27H44O3 416.329045 NA MeJP NA NA +MJ058655 16-Hydroxy-23,24-dimethyl-24-oxo-25-scalaranal C27H44O3 416.329045 NA MeJP NA NA +MJ058656 16-Hydroxycholestane-3,6-dione C27H44O3 416.329045 NA MeJP NA NA +MJ058657 22,25-Epoxycholest-7-ene-3,4-diol C27H44O3 416.329045 NA MeJP NA NA +MJ058658 24,25-Dihydroxyvitamin D3 C27H44O3 416.329045 NA MeJP NA NA +MJ058659 27-Norergosta-7,22-diene-3,5,6-triol C27H44O3 416.329045 NA MeJP NA NA +MJ058660 3,25-Dihydroxy-9,10-secocholesta-5,7-dien-24-one C27H44O3 416.329045 NA MeJP NA NA +MJ058661 3,5-Dihydroxycholesta-7,22-dien-6-one, 22,23-Dihydro C27H44O3 416.329045 NA MeJP NA NA +MJ058662 3,6-Dihydroxycholest-9(11)-en-23-one C27H44O3 416.329045 NA MeJP NA NA +MJ058663 3,9-Dihydroxycholest-7-en-6-one C27H44O3 416.329045 NA MeJP NA NA +MJ058664 3-(3,6,9,12-Docosatetraenyl)-5-hydroxy-5-methyl-2(5H)-furanone, 3',4'-Dihydro C27H44O3 416.329045 NA MeJP NA NA +MJ058665 3-(4-Hydroxyphenyl)-2-propenoic acid, Octadecyl ester C27H44O3 416.329045 NA MeJP NA NA +MJ058666 3-Hydroxy-25,26,27-trinorlanost-9(11)-en-24-oic acid; 3?-form C27H44O3 416.329045 NA MeJP NA NA +MJ058667 5,6-Epoxycholest-24-ene-3,7-diol C27H44O3 416.329045 NA MeJP NA NA +MJ058668 5,6-Epoxycholest-8-ene-3,7-diol C27H44O3 416.329045 NA MeJP NA NA +MJ058669 5,8-Epidioxycholest-6-en-3-ol C27H44O3 416.329045 NA MeJP NA NA +MJ058670 5-Hydroxycholestane-3,6-dione C27H44O3 416.329045 NA MeJP NA NA +MJ058671 7,26-Dihydroxycholest-4-en-3-one C27H44O3 416.329045 NA MeJP NA NA +MJ058672 9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol C27H44O3 416.329045 NA MeJP NA NA +MJ058673 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol C27H44O3 416.329045 NA MeJP NA NA +MJ058674 9,10-Secocholesta-5,7,10(19)-triene-3,23,25-triol C27H44O3 416.329045 NA MeJP NA NA +MJ058675 9,10-Secocholesta-5,7,10(19)-triene-3,24,25-triol C27H44O3 416.329045 NA MeJP NA NA +MJ058676 Cabraleahydroxylactone C27H44O3 416.329045 NA MeJP NA NA +MJ058677 Calicoferol B C27H44O3 416.329045 NA MeJP NA NA +MJ058678 Cholest-5-ene-3,22,26-triol, 22-Ketone C27H44O3 416.329045 NA MeJP NA NA +MJ058679 Cholesta-5,22-diene-3,7,19-triol C27H44O3 416.329045 NA MeJP NA NA +MJ058680 Cholesta-5,23-diene-3,25-diol, 25-Hydroperoxide C27H44O3 416.329045 NA MeJP NA NA +MJ058681 Cholesta-5,25-diene-3,24-diol, 24-Hydroperoxide C27H44O3 416.329045 NA MeJP NA NA +MJ058682 Cholesta-7,22-diene-3,5,6-triol C27H44O3 416.329045 NA MeJP NA NA +MJ058683 Furost-20(22)-ene-3,26-diol C27H44O3 416.329045 NA MeJP NA NA +MJ058684 Furost-5-ene-1,3-diol C27H44O3 416.329045 NA MeJP NA NA +MJ058685 Lansilactone C27H44O3 416.329045 NA MeJP NA NA +MJ058686 Octadecyl 4-hydroxycinnamate C27H44O3 416.329045 NA MeJP NA NA +MJ058687 Paricalcitol C27H44O3 416.329045 NA MeJP NA NA +MJ058688 Spirostan-3-ol C27H44O3 416.329045 NA MeJP NA NA +MJ058689 7alpha,12alpha-Dihydroxycholest-4-en-3-one C27H44O3 416.329045 NA MeJP NA NA +MJ058690 Calcitriol C27H44O3 416.329045 NA MeJP NA NA +MetaCyc03459 (25S)-5-β-spirostan-3-β-ol [sarsasopogenin;] C27H44O3 416.329045 NA metacyc NA NA +MetaCyc03460 calcitriol [] C27H44O3 416.329045 32222-06-3 metacyc NA NA +EUR092 1,25-DihydroxyVitaminD C27H44O3 416.329045 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR093 Vitamin D C27H44O3 416.329045 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR092 1,25-DihydroxyVitaminD C27H44O3 416.329045 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR093 Vitamin D C27H44O3 416.329045 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR396 Calcitriol F1 F1 416.329575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR396 Calcitriol F1 NA 416.329575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR396 Calcitriol F1 F1 416.329575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR396 Calcitriol F1 NA 416.329575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR396 Calcitriol F1 F1 416.329575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR396 Calcitriol F1 NA 416.329575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR396 Calcitriol F1 F1 416.329575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR396 Calcitriol F1 F1 416.329575 standards wishlist analysés sur QTOF HMDB NA NA +EUR396 Calcitriol F1 F1 416.329575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR396 Calcitriol F1 NA 416.329575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR396 Calcitriol F1 F1 416.329575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR396 Calcitriol F1 F1 416.329575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ058691 Holacine C26H44N2O2 416.340278 NA MeJP NA NA +C02483 gamma-Tocopherol C28H48O2 416.3654 NA KEGG NA NA +C14152 beta-Tocopherol C28H48O2 416.3654 NA KEGG NA NA +C15789 6-Oxocampestanol C28H48O2 416.3654 NA KEGG NA NA +C15795 22alpha-Hydroxy-campesterol C28H48O2 416.3654 NA KEGG NA NA +C15797 22alpha-Hydroxy-5alpha-campestan-3-one C28H48O2 416.3654 NA KEGG NA NA +C15883 2,3-Dimethyl-5-phytylquinol C28H48O2 416.3654 NA KEGG NA NA +HMDB01492 Gama-Tocopherol C28H48O2 416.365417 NA HMDB2010 NA NA +HMDB06335 Beta-tocopherol C28H48O2 416.365417 NA HMDB2010 NA NA +HMDB12112 (22Alpha)-hydroxy-5alpha-campestan-3-one C28H48O2 416.365417 NA HMDB2010 NA NA +HMDB01492 gama-Tocopherol C28H48O2 416.36542 http://www.hmdb.ca/metabolites/HMDB01492 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06335 beta-tocopherol C28H48O2 416.36542 http://www.hmdb.ca/metabolites/HMDB06335 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01492 gama-Tocopherol C28H48O2 416.36542 http://www.hmdb.ca/metabolites/HMDB01492 HMDB NA NA +HMDB06335 beta-tocopherol C28H48O2 416.36542 http://www.hmdb.ca/metabolites/HMDB06335 HMDB NA NA +HMDB01492 gama-Tocopherol C28H48O2 416.36542 http://www.hmdb.ca/metabolites/HMDB01492 PFEM_hmdb_metabocards_blood NA blood +HMDB06335 beta-tocopherol C28H48O2 416.36542 http://www.hmdb.ca/metabolites/HMDB06335 PFEM_hmdb_metabocards_blood NA blood +HMDB01492 gama-Tocopherol C28H48O2 416.36542 HMDB01492 PFEM_hmdb_metabocards_official NA NA +HMDB06335 beta-tocopherol C28H48O2 416.36542 HMDB06335 PFEM_hmdb_metabocards_official NA NA +MJ058692 3-Hydroxy-5,10:13,14-disecoergosta-6,9(11)-dien-22-one C28H48O2 416.36543 NA MeJP NA NA +MJ058693 5,6-Dimethyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-benzoquinone C28H48O2 416.36543 NA MeJP NA NA +MJ058694 ?-Tocopherol C28H48O2 416.36543 NA MeJP NA NA +MJ058695 ?2-Tocopherol C28H48O2 416.36543 NA MeJP NA NA +MJ058696 Amphimic acid B C28H48O2 416.36543 NA MeJP NA NA +MJ058697 Cholest-5-ene-3,22-diol, 3-Me ether C28H48O2 416.36543 NA MeJP NA NA +MJ058698 Cyclostenol C28H48O2 416.36543 NA MeJP NA NA +MJ058699 Ergost-4-ene-3,6-diol C28H48O2 416.36543 NA MeJP NA NA +MJ058700 Ergost-5-ene-3,25-diol C28H48O2 416.36543 NA MeJP NA NA +MJ058701 Ergost-5-ene-3,26-diol C28H48O2 416.36543 NA MeJP NA NA +MJ058702 Ergost-5-ene-3,7-diol C28H48O2 416.36543 NA MeJP NA NA +MJ058703 Ergostane-3,6-diol, 6-Ketone C28H48O2 416.36543 NA MeJP NA NA +MJ058704 Macdougallin C28H48O2 416.36543 NA MeJP NA NA +MetaCyc03461 2,3-dimethyl-6-phytyl-1,4-benzoquinone [] C28H48O2 416.365431 NA metacyc NA NA +MetaCyc03462 γ-tocopherol [] C28H48O2 416.365431 NA metacyc NA NA +MetaCyc03463 β-tocopherol [] C28H48O2 416.365431 NA metacyc NA NA +MetaCyc03464 6-oxocampestanol [oxocampestanol;] C28H48O2 416.365431 NA metacyc NA NA +MetaCyc03465 (22α)-hydroxy-5α-campestan-3-one [(22S)-22-hydroxy-5α-campestan-3-one;(22S,24R)-22-hydroxy-5α-ergostan-3-one;] C28H48O2 416.365431 NA metacyc NA NA +MetaCyc03466 (22α)-hydroxy-campesterol [(22S)-22-hydroxy-campesterol;] C28H48O2 416.365431 NA metacyc NA NA +MJ058705 Cyclovirobuxine I; N3,N20,N20-Tri-Me C27H48N2O 416.376664 NA MeJP NA NA +MJ058706 Cyclovirobuxine I; N3,N20-Di-Me, Me ether C27H48N2O 416.376664 NA MeJP NA NA +C10801 Cyclovirobuxine C C27H48N2O 416.3767 NA KEGG NA NA +MJ058707 23-Methylergostan-3-ol C29H52O 416.401816 NA MeJP NA NA +MJ058708 24-Methylergostan-3-ol C29H52O 416.401816 NA MeJP NA NA +MJ058709 3-Hydroxymethyl-A-norstigmastane C29H52O 416.401816 NA MeJP NA NA +MJ058710 Stigmastan-3-ol C29H52O 416.401816 NA MeJP NA NA +HMDB00494 Stigmastanol C29H52O 416.40182 http://www.hmdb.ca/metabolites/HMDB00494 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00494 Stigmastanol C29H52O 416.40182 http://www.hmdb.ca/metabolites/HMDB00494 HMDB NA NA +HMDB00494 Stigmastanol C29H52O 416.40182 http://www.hmdb.ca/metabolites/HMDB00494 PFEM_hmdb_metabocards_blood NA blood +HMDB00494 Stigmastanol C29H52O 416.40182 HMDB00494 PFEM_hmdb_metabocards_official NA NA +HMDB00494 Stigmastanol C29H52O 416.401825 NA HMDB2010 NA NA +3729 NA YPFGFFG 416.6805 MH2+ Inhouse_peptide NA peptide +3203 chymosin inhibitor (fr,99-105 of bovine k-casein) PHPHLSF 416.702 MH2+ Inhouse_peptide NA peptide +2587 tenecin-1 (33-42) YCNGKRVCVC~ 416.73695 MH2+ Inhouse_peptide NA peptide +MetaCyc03467 D-myo-inositol (3,5,6)-trisphosphate [1D-myo-inositol (3,5,6)-trisphosphate;Ins(3,5,6)P3;myo-inositol (3,5,6)-trisphosphate;I(3,5,6)P3;] C6H12O15P3 416.938904 NA metacyc NA NA +MetaCyc03468 D-myo-inositol (1,4,5)-trisphosphate [inositol (1,4,5)-trisphosphate;1D-myo-inositol (1,4,5)-trisphosphate;Ins(1,4,5)P3;I(1,4,5)P3;] C6H12O15P3 416.938904 88269-39-0 metacyc NA NA +MetaCyc03469 D-myo-inositol (1,3,4)-trisphosphate [Ins(1,3,4)P3;1-D-myo-inositol (1,3,4)-trisphosphate;inositol 1,3,4-trisphosphate;] C6H12O15P3 416.938904 NA metacyc NA NA +MetaCyc03470 D-myo-inositol (2,3,4) trisphosphate [1D-myo-inositol (2,3,4) trisphosphate;myo-inositol (2,3,4) trisphosphate;Ins(2,3,4)P3;I(2,3,4)P3;] C6H12O15P3 416.938904 NA metacyc NA NA +MetaCyc03471 D-myo-inositol (1,2,3) trisphosphate [1D-myo-inositol (1,2,3) trisphosphate;Ins(1,2,3)P3;I(1,2,3)P3;] C6H12O15P3 416.938904 NA metacyc NA NA +MetaCyc03472 D-myo-inositol (1,2,6) trisphosphate [1D-myo-inositol (1,2,6) trisphosphate;Ins(1,2,6)P3;I(1,2,6)P3;] C6H12O15P3 416.938904 NA metacyc NA NA +MetaCyc03473 D-myo-inositol (3,4,6)-trisphosphate [1D-myo-inositol (3,4,6)-trisphosphate;Ins(3,4,6)P3;I(3,4,6)P3;] C6H12O15P3 416.938904 NA metacyc NA NA +MJ058711 Molokaiamine; N2'-Me, N3''-(cyanoformyl) C14H17Br2N3O2 416.968752 NA MeJP NA NA +C11038 2'-Deoxy-5-hydroxymethylcytidine-5'-diphosphate C10H17N3O11P2 417.0338 NA KEGG NA NA +MetaCyc03474 2'-deoxy-5-hydroxymethylcytidine-5'-diphosphate [] C10H17N3O11P2 417.033831 NA metacyc NA NA +MJ058712 Iproplatin C6H20Cl2N2O2Pt 417.054957 NA MeJP NA NA +MJ058713 Umycin B C18H15N3O7S 417.06307 NA MeJP NA NA +MJ058714 Bretazenil C19H20BrN3O3 417.068804 NA MeJP NA NA +MJ058715 Ethyl carfluzepate C20H17ClFN3O4 417.089161 NA MeJP NA NA +FL7AAAGS0003 Pelargonidin 3-rhamnoside C21H21O9 417.11855 56190-03-5 knapsack NA NA +FL7DAAGS0001 Gesnerin C21H21O9 417.11855 19045-96-6 knapsack NA NA +FL7DAAGS0002 Apigeninidin 7-glucoside C21H21O9 417.11855 53948-06-4 knapsack NA NA +MJ058716 Serine, N-(3-C-Glucosyl-5,6-dihydroxybenzoyl), Me ester C17H23NO11 417.12711 NA MeJP NA NA +MJ058717 Temafloxacin C21H18F3N3O3 417.130026 NA MeJP NA NA +MJ058718 Azaspirium(1+); Chloride C22H24ClNO5 417.1343 NA MeJP NA NA +MJ058719 5-[2-[(2-Hydroxy-3-phenoxypropyl)amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid C21H23NO8 417.142366 NA MeJP NA NA +MJ058720 Pseurotins; Pseurotin A, O-De-Me C21H23NO8 417.142366 NA MeJP NA NA +MJ058721 Dichlorolissoclimide C20H29Cl2NO4 417.147363 NA MeJP NA NA +PJ001125 MMH C16H27N5O4S2 417.1505 NA PeJP NA NA +MJ058722 Sulfamothepin C21H27N3O2S2 417.154468 NA MeJP NA NA +MJ058723 Onetine; 20-Deoxy, 20-chloro C19H28ClNO7 417.155429 NA MeJP NA NA +MJ058724 Natalinine C25H23NO5 417.157622 NA MeJP NA NA +PJ001126 GNNN C14H23N7O8 417.1608 NA PeJP NA NA +PJ001127 GGGGGGG C14H23N7O8 417.1609 NA PeJP NA NA +MJ058725 1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid, Nitrile, 1-O-?-D-glucopyranoside, 4-O-(2,6-dideoxy-?-D-xylo-hexopyranoside) C18H27NO10 417.163496 NA MeJP NA NA +PJ001128 DHF C19H23N5O6 417.1649 NA PeJP NA NA +PJ001129 GPNM C16H27N5O6S 417.1682 NA PeJP NA NA +MJ058726 Antibiotic NG 391 C22H27NO7 417.178752 NA MeJP NA NA +MJ058727 Narcotinediol C22H27NO7 417.178752 NA MeJP NA NA +MJ058728 Sinococuline; O6,O7-Di-Ac C22H27NO7 417.178752 NA MeJP NA NA +MJ058729 Tirandamycin A C22H27NO7 417.178752 NA MeJP NA NA +MJ058730 Roquefortine; N6-Formyl C23H23N5O3 417.180089 NA MeJP NA NA +PJ001130 AAQE C16H27N5O8 417.186 NA PeJP NA NA +MJ058731 Casimiroedine C21H27N3O6 417.189985 NA MeJP NA NA +MJ058732 N1,N8-Bis(2,3-dihydroxybenzoyl)spermidine C21H27N3O6 417.189985 NA MeJP NA NA +MJ058733 Naphthyridinomycin A C21H27N3O6 417.189985 NA MeJP NA NA +MJ058734 Spermidine; N,N''-Bis(3,4-dihydroxybenzoyl) C21H27N3O6 417.189985 NA MeJP NA NA +C10577 Casimiroedine C21H27N3O6 417.19 NA KEGG NA NA +MJ058735 8-(4-Hydroxybenzyl)-2,3-dimethoxy-10-berbinol C26H27NO4 417.194008 NA MeJP NA NA +MJ058736 Dioncophyllacine A C26H27NO4 417.194008 NA MeJP NA NA +PJ001131 NER C15H27N7O7 417.1972 NA PeJP NA NA +MJ058737 3-Butyl-3-ethyl-2,3,4,5-tetrahydro-7,8-dimethoxy-5-phenyl-1,4-benzothiazepine, S,S-Dioxide C23H31NO4S 417.197379 NA MeJP NA NA +8073 synthetic peptide RWG 417.201 ACE inhibitor Inhouse_peptide NA peptide +PJ001132 VNW C20H27N5O5 417.2012 NA PeJP NA NA +PJ001133 APCK C17H31N5O5S 417.2046 NA PeJP NA NA +PJ001134 GRW C19H27N7O4 417.2125 NA PeJP NA NA +MJ058738 Myxopyronines; Myxopyronine A C23H31NO6 417.215137 NA MeJP NA NA +MJ058739 Protostemonine C23H31NO6 417.215137 NA MeJP NA NA +MJ058740 Stemofoline; 4'-Methoxy C23H31NO6 417.215137 NA MeJP NA NA +MJ058741 Ethamidindole C24H27N5O2 417.216475 NA MeJP NA NA +MJ058742 Roquefortine; N16-Et C24H27N5O2 417.216475 NA MeJP NA NA +PJ001135 AAKE C17H31N5O7 417.2224 NA PeJP NA NA +MJ058743 Cilazaprilat; 1'-Et ester C22H31N3O5 417.226371 NA MeJP NA NA +MJ058744 Cinepazide C22H31N3O5 417.226371 NA MeJP NA NA +MJ058745 Asocainol C27H31NO3 417.230393 NA MeJP NA NA +MJ058746 Hetisan-11,18-diol; 11?-form, 18-Benzoyl C27H31NO3 417.230393 NA MeJP NA NA +MJ058747 Paspalinine; Deoxy C27H31NO3 417.230393 NA MeJP NA NA +MJ058748 Thymotrinan C16H31N7O6 417.233581 NA MeJP NA NA +PJ001136 DKR C16H31N7O6 417.2336 NA PeJP NA NA +MJ058749 Mycalamide C C20H35NO8 417.236267 NA MeJP NA NA +MJ058750 N-[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]-2-naphthalenecarboxamide C26H31N3O2 417.241627 NA MeJP NA NA +PJ001137 SRR C15H31N9O5 417.2448 NA PeJP NA NA +MJ058751 Batrachotoxinin A C24H35NO5 417.251523 NA MeJP NA NA +MJ058752 Daphnigracine; 13-Oxo C24H35NO5 417.251523 NA MeJP NA NA +MJ058753 Decoquinate C24H35NO5 417.251523 NA MeJP NA NA +MJ058754 Heterophylline; O1-Me, O8-Ac C24H35NO5 417.251523 NA MeJP NA NA +MJ058755 Lankacyclinol C24H35NO5 417.251523 NA MeJP NA NA +MJ058756 Lucidusculine; N-oxide C24H35NO5 417.251523 NA MeJP NA NA +MJ058757 Napelline; O12-Ac, N-oxide C24H35NO5 417.251523 NA MeJP NA NA +MJ058758 Spiramine P; 16-Epimer, 6-Ac C24H35NO5 417.251523 NA MeJP NA NA +MJ058759 Spiramine P; 6-Ac C24H35NO5 417.251523 NA MeJP NA NA +MJ058760 Spiramine T C24H35NO5 417.251523 NA MeJP NA NA +MJ058761 Vilmoritine C24H35NO5 417.251523 NA MeJP NA NA +MJ058762 [4-[(Aminoiminomethyl)amino]-1-[[[1-[[(2-phenylethyl)amino]carbonyl]cyclopentyl]carbonyl]amino]butyl]boronic acid C20H32BN5O4 417.254735 NA MeJP NA NA +C17987 Istamycin A1 C18H35N5O6 417.2587 NA KEGG NA NA +C17992 Istamycin B1 C18H35N5O6 417.2587 NA KEGG NA NA +MJ058763 Antibiotic KA 6606IV C18H35N5O6 417.258733 NA MeJP NA NA +MJ058764 Istamycin A; 1-Epimer, N2''-formyl C18H35N5O6 417.258733 NA MeJP NA NA +MJ058765 Istamycin A; N2''-Formyl C18H35N5O6 417.258733 NA MeJP NA NA +MJ058766 Sannamycin C; N2'-(N-Formylglycyl) C18H35N5O6 417.258733 NA MeJP NA NA +PJ001138 GTLK C18H35N5O6 417.2588 NA PeJP NA NA +MJ058767 2,2-Dibutyl-1,2,3,4-tetrahydro-5-(2-quinolinylmethoxy)-1-naphthalenol C28H35NO2 417.266779 NA MeJP NA NA +MJ058768 Aflavazole C28H35NO2 417.266779 NA MeJP NA NA +MJ058769 Integramine C28H35NO2 417.266779 NA MeJP NA NA +MJ058770 Sphingofungin E C21H39NO7 417.272652 NA MeJP NA NA +MJ058771 Idaverine C24H39N3O3 417.299142 NA MeJP NA NA +MJ058772 Olvanil C26H43NO3 417.324294 NA MeJP NA NA +C12272 N-Oleoyl dopamine C26H43NO3 417.3243 NA KEGG NA NA +C12274 Transferred to D02394 C26H43NO3 417.3243 NA KEGG NA NA +C12275 Transferred to D01081 C26H43NO3 417.3243 NA KEGG NA NA +C12276 Transferred to D01082 C26H43NO3 417.3243 NA KEGG NA NA +MJ058773 Methyl 3-heneicosenyl-1H-pyrrole-2-carboxylate C27H47NO2 417.360679 NA MeJP NA NA +MJ058774 Veralkamine; 5?,6,12,13-Tetrahydro C27H47NO2 417.360679 NA MeJP NA NA +MJ058775 3-Alkyl-1H-pyrrole-2-carboxaldehyde; 3-Tricosyl-1H-pyrrole-2-carboxaldehyde C28H51NO 417.397065 NA MeJP NA NA +MJ058776 1,1,2-Tribromo-6-hydroxy-1-octen-3-one, Ac C10H13Br3O3 417.841482 NA MeJP NA NA +MJ058777 6,6'-Dibromoindigotin C16H8Br2N2O2 417.895252 NA MeJP NA NA +C17084 6,6'-Dibromoindigotin C16H8Br2N2O2 417.8953 NA KEGG NA NA +MJ058778 3-Bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)-1,2-benzenediol C14H12Br2O5 417.905148 NA MeJP NA NA +MJ058779 1,1,3-Tribromo-3-dodecen-2-ol C12H21Br3O 417.914253 NA MeJP NA NA +MJ058780 Agelastatin A; 2-Bromo C12H12Br2N4O3 417.927615 NA MeJP NA NA +MJ058781 1,3,8,10,11-Pentahydroxy-5,12-naphthacenedione; 10-O-Sulfate C18H10O10S 417.999467 NA MeJP NA NA +C08100 Cephalothin sodium C16H15N2O6S2 418.0269 NA KEGG NA NA +MJ058782 Phthalylsulfamethizole C17H14N4O5S2 418.04056 NA MeJP NA NA +MJ058783 Lactothamnolic acid C19H14O11 418.053611 NA MeJP NA NA +MJ058784 Shoyuflavone A; 5,8-Dihydroxy C19H14O11 418.053611 NA MeJP NA NA +MJ058785 4-Aminodemethylaminoanhydrodemethylchlorotetracycline C19H15ClN2O7 418.056778 NA MeJP NA NA +C10992 Tefluthrin C17H14ClF7O2 418.0571 NA KEGG NA NA +C08563 Muscapurpurin C18H14N2O10 418.0648 NA KEGG NA NA +MJ058786 Muscapurpurin C18H14N2O10 418.064844 NA MeJP NA NA +MJ058787 Basidifferquinone B C23H14O8 418.068867 NA MeJP NA NA +MJ058788 Cloxestradiol C20H25Cl3O3 418.086927 NA MeJP NA NA +C06435 5'-Butyrylphosphoinosine C14H19N4O9P 418.089 NA KEGG NA NA +FL3FACCS0003 6-C-beta-D-Xylopyranosylluteolin;6-C-Xylosylluteolin;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-beta-D-xylopyranosyl-4H-1-benzopyran-4-one C20H18O10 418.08999 70059-13-1 knapsack NA NA +FL3FACCS0004 8-C-alpha-L-Arabinosylluteolin C20H18O10 418.08999 115636-75-4 knapsack NA NA +FL3FACCS0049 Luteolin 6-C-alpha-L-arabinopyranoside;6-C-alpha-L-Arabinosylluteolin;6-alpha-L-Arabinopyranosyl-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C20H18O10 418.08999 321690-39-5 knapsack NA NA +FL3FACGS0005 Luteolin 7-xyloside C20H18O10 418.08999 98575-26-9 knapsack NA NA +FL3FACGS0012 Luteolin 3'-xyloside C20H18O10 418.08999 93078-91-2 knapsack NA NA +FL3FEAGS0002 Scutellarein 6-xyloside C20H18O10 418.08999 65876-68-8 knapsack NA NA +FL3FFAGS0001 Isoscutellarein 7-xyloside C20H18O10 418.08999 126771-29-7 knapsack NA NA +FL5FAAGS0001 Juglanin C20H18O10 418.08999 5041-67-8 knapsack NA NA +FL5FAAGS0002 Kaempferol 3-alpha-L-arabinopyranoside C20H18O10 418.08999 99882-10-7 knapsack NA NA +FL5FAAGS0003 Kaempferol 3-xyloside C20H18O10 418.08999 60933-78-0 knapsack NA NA +FL5FAAGS0010 Kaempferol 7-alpha-L-arabinoside C20H18O10 418.08999 70427-13-3 knapsack NA NA +FL5FAAGS0011 Kaempferol 7-xyloside C20H18O10 418.08999 - knapsack NA NA +FL5FAAGS0069 Kaempferol 3-alpha-D-arabinopyranoside;3-(alpha-D-Arabinopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C20H18O10 418.08999 201533-09-7 knapsack NA NA +FL5FGGNS0015 5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone C20H18O10 418.08999 82668-96-0 knapsack NA NA +MJ058789 1,2,3-Trihydroxyxanthone; 2,3-Methylene ether, 1-O-?-D-glucopyranoside C20H18O10 418.089996 NA MeJP NA NA +MJ058790 2,3',4,5',6-Pentahydroxydiphenyl ether; 2,3',5',6-Tetra-Ac C20H18O10 418.089996 NA MeJP NA NA +MJ058791 3',4',5,7-Tetrahydroxyflavone; 3'-O-?-D-Xylopyranoside C20H18O10 418.089996 NA MeJP NA NA +MJ058792 3',4',5,7-Tetrahydroxyflavone; 4'-O-?-L-Arabinoside C20H18O10 418.089996 NA MeJP NA NA +MJ058793 3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Xylopyranoside C20H18O10 418.089996 NA MeJP NA NA +MJ058794 3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Xyloside C20H18O10 418.089996 NA MeJP NA NA +MJ058795 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',5',8-Tetra-Me, 6,7-methylene ether C20H18O10 418.089996 NA MeJP NA NA +MJ058796 3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Xylopyranoside C20H18O10 418.089996 NA MeJP NA NA +MJ058797 3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Arabinopyranoside C20H18O10 418.089996 NA MeJP NA NA +MJ058798 3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Arabinofuranoside C20H18O10 418.089996 NA MeJP NA NA +MJ058799 3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Arabinopyranoside C20H18O10 418.089996 NA MeJP NA NA +MJ058800 3,4',5,7-Tetrahydroxyflavone; 7-O-?-D-Xylopyranoside C20H18O10 418.089996 NA MeJP NA NA +MJ058801 3,4',5,7-Tetrahydroxyflavone; 7-O-?-L-Arabinoside C20H18O10 418.089996 NA MeJP NA NA +MJ058802 4',5,6,7-Tetrahydroxyflavone; 4'-O-?-L-Arabinopyranoside C20H18O10 418.089996 NA MeJP NA NA +MJ058803 4',5,6,7-Tetrahydroxyflavone; 6-O-?-D-Xylopyranoside C20H18O10 418.089996 NA MeJP NA NA +MJ058804 4',5,7,8-Tetrahydroxyflavone; 7-O-?-D-Xylopyranoside C20H18O10 418.089996 NA MeJP NA NA +MJ058805 4,4',5,5',6,6'-Hexahydroxy-2,2'-biphenyldicarboxylic acid; 5,6:5',6'-Bis(methylene), 4,4'-di-Me ether, di-Me ester C20H18O10 418.089996 NA MeJP NA NA +MJ058806 6-C-Arabinopyranosyl-3',4',5,7-tetrahydroxyflavone; ?-L-form C20H18O10 418.089996 NA MeJP NA NA +MJ058807 8-C-Arabinopyranosyl-3',4',5,7-tetrahydroxyflavone; ?-L-form C20H18O10 418.089996 NA MeJP NA NA +MJ058808 Coruleoellagic acid; Hexa-Me ether C20H18O10 418.089996 NA MeJP NA NA +MJ058809 Fukiic acid, 2-O-(4-Hydroxy-E-cinnamoyl) C20H18O10 418.089996 NA MeJP NA NA +MJ058810 Protocetraric acid; 1''-Alcohol, 1'-Ac C20H18O10 418.089996 NA MeJP NA NA +MJ058811 Salvianolic acid D C20H18O10 418.089996 NA MeJP NA NA +MJ058812 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-L-Arabinoside C20H19O10(+) 418.089996 NA MeJP NA NA +MJ058813 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-Xyloside C20H19O10(+) 418.089996 NA MeJP NA NA +MJ058814 3,3',4',5,7-Pentahydroxyflavylium(1+); 7-O-Arabinoside C20H19O10(+) 418.089996 NA MeJP NA NA +FL1CACNN0001 8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin C24H18O7 418.10525 73536-05-7 knapsack NA NA +MJ058815 2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)benzoquinone; 2-O-(2Z,4E-Hexadienoyl) C24H18O7 418.105252 NA MeJP NA NA +MJ058816 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-?-phenyl-4H-1-benzopyran-8-propanoic acid C24H18O7 418.105252 NA MeJP NA NA +MJ058817 8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin; 3'',4''-Dihydroxy C24H18O7 418.105252 NA MeJP NA NA +MJ058818 Calomelanol E C24H18O7 418.105252 NA MeJP NA NA +MJ058819 Isodiospyrin, 6'-Ethoxy C24H18O7 418.105252 NA MeJP NA NA +MJ058820 Isodiospyrin, 6-Ethoxy C24H18O7 418.105252 NA MeJP NA NA +MJ058821 Isodiospyrin, 7'-Ethoxy C24H18O7 418.105252 NA MeJP NA NA +PJ001139 GCCH C14H22N6O5S2 418.1093 NA PeJP NA NA +MJ058822 Forsythide; 6-Oxo, 11-Me ester C17H22O12 418.111126 NA MeJP NA NA +MJ058823 Mollugoside C17H22O12 418.111126 NA MeJP NA NA +MJ058824 Alstonilidine C23H18N2O6 418.116486 NA MeJP NA NA +FL1C1ACS0001 3'-C-Glucosylisoliquiritigenin C21H22O9 418.12638 64052-96-6 knapsack NA NA +FL1C1AGS0002 Isoliquiritin C21H22O9 418.12638 5041-81-6 knapsack NA NA +FL1C1AGS0003 Neoisoliquiritin C21H22O9 418.12638 59122-93-9 knapsack NA NA +FL1C9AGS0002 4,2',3'-Trihydroxychalcone 4-O-glucoside C21H22O9 418.12638 158500-60-8 knapsack NA NA +FL1CELNS0004 6'-Hydroxy-2,3,4,5,2'-pentamethoxy-3',4'-methylenedioxychalcone C21H22O9 418.12638 121697-05-0 knapsack NA NA +FL2F1ACS0001 Aervanone;(2S)-8-beta-D-Galactopyranosyl-2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C21H22O9 418.12638 75775-37-0 knapsack NA NA +FL2F1AGS0001 Liquiritin C21H22O9 418.12638 551-15-5 knapsack NA NA +FL2F1AGS0002 Neoliquiritin C21H22O9 418.12638 5088-75-5 knapsack NA NA +FL2FA9GS0002 Pinocembrin 5-O-glucoside C21H22O9 418.12638 522-55-6 knapsack NA NA +FL2FA9GS0009 Pinocembroside;Pinocembrin 7-O-beta-D-glucoside;(2S)-7-O-beta-D-glucopyranosyl-5-hydroxyflavanone C21H22O9 418.12638 75829-43-5 knapsack NA NA +FL2FAAGS0005 Naringenin 5-O-rhamnoside C21H22O9 418.12638 83697-42-1 knapsack NA NA +FL2FAAGS0007 Naringerin C21H22O9 418.12638 67023-33-0 knapsack NA NA +FL2FAAGS0022 Naringenin 4'-O-alpha-L-rhamnopyranoside;5,7,4'-Trihydroxyflavanone 4'-rhamnoside C21H22O9 418.12638 158694-66-7 knapsack NA NA +FL2FABGS0003 Isosakuranetin 7-O-xyloside C21H22O9 418.12638 83728-89-6 knapsack NA NA +FL2FGGNS0001 Agecorynin B C21H22O9 418.12638 77053-47-5 knapsack NA NA +FL3FELNS0008 Agecorynin F;5-Hydroxy-6,7-dimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-4H-1-benzopyran-4-one C21H22O9 418.12638 144525-23-5 knapsack NA NA +FL3FELNS0009 Agecorynin G;2-(3-Hydroxy-2,4,5-trimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one C21H22O9 418.12638 144525-24-6 knapsack NA NA +FL3FGGNS0004 4'-Hydroxy-5,6,7,8,3',5'-hexamethoxyflavone C21H22O9 418.12638 85644-03-7 knapsack NA NA +FL3FGGNS0005 3'-Hydroxy-5,6,7,8,4',5'-hexamethoxyflavone C21H22O9 418.12638 42557-19-7 knapsack NA NA +FL3FGGNS0006 8-Hydroxy-5,6,7,3',4',5'-hexamethoxyflavone C21H22O9 418.12638 135010-80-9 knapsack NA NA +FL3FGGNS0007 Gardenin A;5-Hydroxy-3',4',5',6,7,8-hexamethoxyflavone;5-Hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C21H22O9 418.12638 21187-73-5 knapsack NA NA +FL3FGLNS0004 Agehoustin E C21H22O9 418.12638 111316-37-1 knapsack NA NA +FL5FALNS0020 5-Hydroxy-3,7,2',3',4',6'-hexamethoxyflavone;5-Hydroxy-3,7-dimethoxy-2-(2,3,4,6-tetramethoxyphenyl)- 4H-1-benzopyran-4-one C21H22O9 418.12638 149474-89-5 knapsack NA NA +FL5FEGNS0015 4'-Hydroxy-3,5,6,7,3',5'-hexamethoxyflavone C21H22O9 418.12638 77390-47-7 knapsack NA NA +FL5FEGNS0016 5-Hydroxy-3,6,7,3',4',5'-hexamethoxyflavone;5-Hydroxy-3,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-Benzopyran-4-one C21H22O9 418.12638 17245-31-7 knapsack NA NA +FL5FELNS0018 5-Hydroxy-3,6,7,2',4',5'-hexamethoxyflavone;5-Hydroxy-3,6,7-trimethoxy-2-(2,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C21H22O9 418.12638 80496-66-8 knapsack NA NA +FL5FFGNS0009 8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone;8-Hydroxy-3,5,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C21H22O9 418.12638 202846-95-5 knapsack NA NA +FL5FFGNS0010 5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone;5-Hydroxy-3,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C21H22O9 418.12638 21634-53-7 knapsack NA NA +FL5FG8NS0001 Grantioidinin;2-(2,5-Dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one C21H22O9 418.12638 135755-50-9 knapsack NA NA +FL5FGCNS0017 5-Hydroxy-3,6,7,8,3'4'-hexamethoxyflavone;2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one C21H22O9 418.12638 1176-88-1 knapsack NA NA +FL5FGCNS0018 Natsudaidain;3-Hydroxy-3',4',5,6,7,8-hexamethoxyflavone;2-(3,4-Dimethoxyphenyl)-3-hydroxy-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one C21H22O9 418.12638 35154-55-3 knapsack NA NA +FL5FGCNS0028 7-Hydroxy-3,5,6,8,3',4'-hexamethoxyflavone;2-(3,4-Dimethoxyphenyl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one C21H22O9 418.12638 185678-89-1 knapsack NA NA +FL5FGLNS0004 5-Hydroxy-3,6,7,8,2',4'-hexamethoxyflavone C21H22O9 418.12638 70368-18-2 knapsack NA NA +MJ058825 1,3,8,9-Tetrahydroxy-6-methylanthracene; O-Glucoside C21H22O9 418.126382 NA MeJP NA NA +MJ058826 1,3-Dihydroxy-6,7-dimethylxanthone; 1-O-?-D-Glucopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058827 1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(2-Hydroxymethylpropenoyl), 13-Ac C21H22O9 418.126382 NA MeJP NA NA +MJ058828 1,8-Dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone; O-Glucoside C21H22O9 418.126382 NA MeJP NA NA +MJ058829 10-Hydroxyaloin, 1''-Deoxy C21H22O9 418.126382 NA MeJP NA NA +MJ058830 2',3',4',5,5',6,7-Heptahydroxyflavone; 2',3',4',5',6,7-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058831 2',3',4',5,5',6,7-Heptahydroxyflavone; 2',4',5,5',6,7-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058832 2',3',4-Trihydroxychalcone; 4-O-?-D-Glucopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058833 2',3,3',4',5,6',7-Heptahydroxyflavone; 2',3,3',4',6',7-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058834 2',3,4',5,6,7,8-Heptahydroxyflavone; 2',3,4',6,7,8-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058835 2',3,5,5',6,7,8-Heptahydroxyflavone; 2',3,5',6,7,8-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058836 2',4',5,5',6,7,8-Heptahydroxyflavone; 2',4',5',6,7,8-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058837 2',4,4'-Trihydroxy-3'-glucosylchalcone C21H22O9 418.126382 NA MeJP NA NA +MJ058838 2',4,4'-Trihydroxychalcone; 4'-O-?-D-Glucopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058839 2',4,4'-Trihydroxychalcone; 4-O-?-D-Glucopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058840 2,2',3,3',4,4',5,6'-Octahydroxychalcone; 2,2',3,4,5-Penta-Me, 3',4'-methylene ether C21H22O9 418.126382 NA MeJP NA NA +MJ058841 2,4-Dihydroxy-6-(2-phenylethenyl)benzoic acid, 4-O-?-D-Glucopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058842 2-Hydroxy-3-methyl-4H-pyran-4-one; O-(6E-Cinnamoyl-?-D-glucopyranoside) C21H22O9 418.126382 NA MeJP NA NA +MJ058843 3',4',5,5',6,7,8-Heptahydroxyflavanone, 3',5,6,7,8-Penta-Me, 4',5'-methylene ether C21H22O9 418.126382 NA MeJP NA NA +MJ058844 3',4',5,5',6,7,8-Heptahydroxyflavone; 3',4',5',6,7,8-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058845 3',4',5,5',6,7,8-Heptahydroxyflavone; 3',4',5,5',6,7-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058846 3',4',5,5',6,7,8-Heptahydroxyflavone; 3',5,5',6,7,8-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058847 3',4',5,5',6,7,8-Heptahydroxyflavone; 4',5,5',6,7,8-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058848 3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 11?,13-Epoxide, 8-(2-methyl-2-propenoyl), 9-Ac C21H22O9 418.126382 NA MeJP NA NA +MJ058849 3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',4',5',6,7-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058850 3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',5,5',6,7-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058851 3,3',4',5,5',7,8-Heptahydroxyflavone; 3,3',4',5',7,8-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058852 3,3',4',5,5',7,8-Heptahydroxyflavone; 3,3',4',5,5',7-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058853 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4',5,6,7,8-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058854 3,3',4',5,6,7,8-Heptahydroxyflavone; 3,3',4',5,6,8-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058855 3,3',4',5,6,7,8-Heptahydroxyflavone; 3,3',4',5,7,8-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058856 3,3',4',5,6,7,8-Heptahydroxyflavone; 3,3',4',6,7,8-Hexa-Me ether C21H22O9 418.126382 NA MeJP NA NA +MJ058857 3,7-Dihydroxyflavanone, 7-O-?-D-Glucopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058858 4',5,7-Trihydroxyflavanone, 4'-O-?-L-Rhamnopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058859 4',5,7-Trihydroxyflavanone, 5-O-?-L-Rhamnopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058860 4',5,7-Trihydroxyflavanone, 7-O-?-L-Rhamnopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058861 4',5-Dihydroxy-7-methoxyflavanone, 5-O-?-D-Xylopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058862 4',7-Dihydroxyflavanone, 4'-O-?-D-Glucopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058863 4',7-Dihydroxyflavanone, 7-O-?-D-Glucopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058864 5,7-Dihydroxy-4'-methoxyflavanone, 7-O-?-D-Xylopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058865 5,7-Dihydroxyflavanone, 5-O-?-D-Glucopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058866 5,7-Dihydroxyflavanone, 7-O-?-D-Glucopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058867 Aervanone C21H22O9 418.126382 NA MeJP NA NA +MJ058868 Aloin C21H22O9 418.126382 NA MeJP NA NA +MJ058869 Arbutin; 2-O-(4-Hydroxy-E-cinnamoyl) C21H22O9 418.126382 NA MeJP NA NA +MJ058870 Arbutin; 2-O-(4-Hydroxy-Z-cinnamoyl) C21H22O9 418.126382 NA MeJP NA NA +MJ058871 Arbutin; 6-O-(4-Hydroxy-E-cinnamoyl) C21H22O9 418.126382 NA MeJP NA NA +MJ058872 Arbutin; 6-O-(4-Hydroxy-Z-cinnamoyl) C21H22O9 418.126382 NA MeJP NA NA +MJ058873 Hydrangenol, 8-O-?-D-Galactopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058874 Hydrangenol, O-?-D-Glucopyranoside (1) C21H22O9 418.126382 NA MeJP NA NA +MJ058875 Hydrangenol, O-?-D-Glucopyranoside (2) C21H22O9 418.126382 NA MeJP NA NA +MJ058876 Hydrangenol, 4'-O-?-D-Glucopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058877 Hydrangenol, 8-O-?-D-Glucopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058878 Hydrangenol, 4'-O-?-D-Glucopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058879 Hydrangenol, 8-O-?-D-Glucopyranoside C21H22O9 418.126382 NA MeJP NA NA +MJ058880 Nataloin C21H22O9 418.126382 NA MeJP NA NA +MetaCyc03475 isoliquiritigenin 4'-glucoside [] C21H22O9 418.126382 NA metacyc NA NA +C10305 Barbaloin C21H22O9 418.1264 NA KEGG NA NA +C16978 Isoliquiritin C21H22O9 418.1264 NA KEGG NA NA +C16989 Liquiritin C21H22O9 418.1264 NA KEGG NA NA +C17778 Isobarbaloin C21H22O9 418.1264 NA KEGG NA NA +C17809 Polygonimitin B C21H22O9 418.1264 NA KEGG NA NA +PJ001140 PPCC C16H26N4O5S2 418.1345 NA PeJP NA NA +MJ058881 Antibiotic A1-RC 262 C16H18N8O6 418.13493 NA MeJP NA NA +MJ058882 N2,N6-Bis(2,3-dihydroxybenzoyl)lysine C20H22N2O8 418.137615 NA MeJP NA NA +FL1DABNN0001 Calomelanol A C25H22O6 418.14163 137319-44-9 knapsack NA NA +FL3FALNP0002 Cyclomorusin;Cyclomulberrochromene;6,11-Dihydroxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one C25H22O6 418.14163 62596-34-3 knapsack NA NA +FL3FALNP0012 Isocyclomorusin;(+)-3,8-Dihydroxy-11,11-dimethyl-6-(2-methyl-1-propenyl)-6H,7H,11H-bis[1]benzopyrano[4,3-b:6',7'-e]pyran-7-one C25H22O6 418.14163 152186-78-2 knapsack NA NA +FLIAAAND0002 Ulexin C C25H22O6 418.14163 405297-96-3 knapsack NA NA +FLIAAANP0013 Ulexone D C25H22O6 418.14163 128988-23-8 knapsack NA NA +FLIG1LNP0001 Millettin C25H22O6 418.14163 78338-36-0 knapsack NA NA +MJ058883 Calomelanol B; 4-Me ether C25H22O6 418.141638 NA MeJP NA NA +MJ058884 Cudraflavone A C25H22O6 418.141638 NA MeJP NA NA +MJ058885 Cyclomorusin C25H22O6 418.141638 NA MeJP NA NA +MJ058886 Millettin C25H22O6 418.141638 NA MeJP NA NA +MJ058887 Tetrapterol A C25H22O6 418.141638 NA MeJP NA NA +MJ058888 Ulexone B; 5'''-Hydroxy C25H22O6 418.141638 NA MeJP NA NA +PJ001141 GNND C14H22N6O9 418.1448 NA PeJP NA NA +PJ001142 GGGND C14H22N6O9 418.1449 NA PeJP NA NA +MJ058889 4-Hydroxybenzyl alcohol; 4-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C18H26O11 418.147511 NA MeJP NA NA +MJ058890 4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Ph glycoside C18H26O11 418.147511 NA MeJP NA NA +MJ058891 5-Methyl-1,3-benzenediol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C18H26O11 418.147511 NA MeJP NA NA +MJ058892 Arbutin; 6-O-?-D-Xylopyranosyl, 4'-Me ether C18H26O11 418.147511 NA MeJP NA NA +MJ058893 Oleoside; Di-Me ester C18H26O11 418.147511 NA MeJP NA NA +MJ058894 Salicin; 6'-O-?-D-Apiofuranosyl C18H26O11 418.147511 NA MeJP NA NA +MJ058895 Salicin; 6'-O-?-D-Xylopyranosyl C18H26O11 418.147511 NA MeJP NA NA +MJ058896 Scandoside; 6-Epimer, Et ester C18H26O11 418.147511 NA MeJP NA NA +MJ058897 18-Bromo-8,17,19-tricosatriene-4,6-diynoic acid C23H31BrO2 418.150742 NA MeJP NA NA +PJ001143 GPDM C16H26N4O7S 418.1522 NA PeJP NA NA +MJ058898 1,10-Epoxy-8,15-dihydroxy-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2Z-butenoyl) C22H26O8 418.162767 NA MeJP NA NA +MJ058899 1,10-Epoxy-8,15-dihydroxy-2,4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-2-methyl-2Z-butenoyl) C22H26O8 418.162767 NA MeJP NA NA +MJ058900 1,4,8-Trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 8-(4-Acetoxy-2-methyl-2E-butenoyl) C22H26O8 418.162767 NA MeJP NA NA +MJ058901 1,4-Epoxy-8,10,13-trihydroxy-1,5,7(11)-germacratrien-12,6-olide, 8-Tigloyl, 13-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058902 10,14-Epoxy-2,5,8-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Angeloyl, 2-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058903 10,14-Epoxy-2,5,8-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Tigloyl, 2-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058904 10,14-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(4-Acetoxy-2-methyl-2Z-butenoyl) C22H26O8 418.162767 NA MeJP NA NA +MJ058905 10-Hydroxy-3,15,17-sphenolobatrien-12,13-olide-11,19-dioic acid, Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058906 15,16-Epoxy-3-oxo-13(16),14-clerodadien-20,12-olide-18,19-dioic acid, Di-Me ester C22H26O8 418.162767 NA MeJP NA NA +MJ058907 15,16-Epoxy-4,19-dihydroxy-13(16),14-clerodadiene-19,6:20,12-diolide, 19-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058908 16-(1-Methyl-1-propenyl)eremantholanolide, 15-Acetoxy C22H26O8 418.162767 NA MeJP NA NA +MJ058909 2,8,9-Trihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-[2-(Acetyloxymethyl)-2-butenoyl](E-) C22H26O8 418.162767 NA MeJP NA NA +MJ058910 2,8,9-Trihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 9-O-[2-(Acetyloxymethyl)-2-butenoyl](E-) C22H26O8 418.162767 NA MeJP NA NA +MJ058911 2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 10?,14-Epoxide, 8-O-(4-hydroxy-2-methyl-2Z-butenoyl), 2-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058912 2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl), 2-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058913 3,10-Epoxy-3,8-dihydroxy-1,4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2Z-butenoyl) C22H26O8 418.162767 NA MeJP NA NA +MJ058914 3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(3-Methylbutanoyl), 9-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058915 3,20:7,20-Diepoxy-7,11,14-trihydroxy-16-kaurene-6,15-dione, 11-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058916 3,3',4,4',5,7',9-Heptahydroxy-7,9'-epoxylignan, 3',4'-Methylene, 3,4,5-tri-Me ether C22H26O8 418.162767 NA MeJP NA NA +MJ058917 3,3',4,4',8,9-Hexahydroxy-7,9'-epoxylignan-7'-one; 3,3',4,4'-Tetra-Me ether C22H26O8 418.162767 NA MeJP NA NA +MJ058918 3,4-Epoxy-2,8,9-trihydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-Angeloyl, 2-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058919 3,6-Bis(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diol C22H26O8 418.162767 NA MeJP NA NA +MJ058920 4,14-Epoxy-8,9,15-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-Angeloyl, 9-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058921 4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-3,6,19,20-tetrol, 3,20-Diketone, 19-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058922 4,18:15,16-Diepoxy-2,19-dihydroxy-6-oxo-13(16),14-clerodadien-20,12-olide, 19-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058923 4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone, 19-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058924 4,18:15,16-Diepoxy-6,7,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone, 7-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058925 4,18:15,16-Diepoxy-6,7,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 7-Ketone, 19-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058926 4,18:15,16-Diepoxy-6,7,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone, 19-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058927 4,18:7,19:15,16-Triepoxy-13(16),14-clerodadien-20,12-olide, 6-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058928 4,4'-Bis(2,3-epoxy-1-hydroxypropyl)-2,2',6,6'-tetramethoxybiphenyl C22H26O8 418.162767 NA MeJP NA NA +MJ058929 4,8,9-Trihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide, 9-(2,3-Epoxy-2-methylbutanoyl), 8-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058930 5,8,9-Trihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 9-(2,3-Epoxy-2-methylbutanoyl), 8-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058931 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 15-(2-Methyl-4-oxo-2-butenoyl), 8-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058932 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 9-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058933 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl, 9-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058934 8,9-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 3?,4?-Epoxy, 8-O-(2-acetoxymethyl-2E-butenoyl) C22H26O8 418.162767 NA MeJP NA NA +MJ058935 8,9-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 3?,4?-Epoxy, 9-O-(2-acetoxymethyl-2E-butenoyl) C22H26O8 418.162767 NA MeJP NA NA +MJ058936 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, O-(4-Acetoxy-2-methyl-2E-butenoyl) C22H26O8 418.162767 NA MeJP NA NA +MJ058937 9-Hydroxylasiolaenolide; 9-Aldehyde, 5'-acetoxy, 3?,4?-epoxide C22H26O8 418.162767 NA MeJP NA NA +MJ058938 Abbreviatins; Abbreviatin PB C22H26O8 418.162767 NA MeJP NA NA +MJ058939 Byakangelicin, 2'-O-(3-Methylbutanoyl) C22H26O8 418.162767 NA MeJP NA NA +MJ058940 Contortin C22H26O8 418.162767 NA MeJP NA NA +MJ058941 Divaricatic acid ; 1-Hydroxy, Me ester C22H26O8 418.162767 NA MeJP NA NA +MJ058942 Furaquinocin H C22H26O8 418.162767 NA MeJP NA NA +MJ058943 Magnostellin B C22H26O8 418.162767 NA MeJP NA NA +MJ058944 Olivil; 9-O-Ac C22H26O8 418.162767 NA MeJP NA NA +MJ058945 Plicatipyrone C22H26O8 418.162767 NA MeJP NA NA +MJ058946 Sekikaic acid C22H26O8 418.162767 NA MeJP NA NA +MJ058947 Syringaresinol C22H26O8 418.162767 NA MeJP NA NA +MJ058948 Teucrolivin G; 6-Deacetyl C22H26O8 418.162767 NA MeJP NA NA +C09435 Euparotin acetate C22H26O8 418.1628 NA KEGG NA NA +C09493 Liatrin C22H26O8 418.1628 NA KEGG NA NA +C10889 (+)-Syringaresinol C22H26O8 418.1628 NA KEGG NA NA +MJ058949 Syphilobin A C28H22N2O2 418.168127 NA MeJP NA NA +PJ001144 AAEE C16H26N4O9 418.17 NA PeJP NA NA +C07267 Nimodipine C21H26N2O7 418.174 NA KEGG NA NA +C07268 Transferred to D00439 C21H26N2O7 418.174 NA KEGG NA NA +MJ058950 Nimodipine C21H26N2O7 418.174001 NA MeJP NA NA +FLIABANP0001 Scandinone;Nallanin C26H26O5 418.17802 5233-97-6 knapsack NA NA +FLID1CNP0005 Nitiducarpin C26H26O5 418.17802 66446-93-3 knapsack NA NA +FLIDBANP0002 Gangetinin C26H26O5 418.17802 56280-23-0 knapsack NA NA +MJ058951 7-Hydroxy-3',4'-methylenedioxyisoflavone; O-(3,7-Dimethyl-2,6-octadienyl)(E-) C26H26O5 418.178023 NA MeJP NA NA +MJ058952 Alpinumisoflavone; 4'-O-(3-Methyl-2-butenyl), 5-Me ether C26H26O5 418.178023 NA MeJP NA NA +MJ058953 Calaustralin; 7- or 8-Epimer, Me ether C26H26O5 418.178023 NA MeJP NA NA +MJ058954 Calaustralin; Me ether C26H26O5 418.178023 NA MeJP NA NA +MJ058955 Gangetinin C26H26O5 418.178023 NA MeJP NA NA +MJ058956 Inophyllum A; 11,12-Diepimer, 12-Me ether C26H26O5 418.178023 NA MeJP NA NA +MJ058957 Nitiducarpin C26H26O5 418.178023 NA MeJP NA NA +MJ058958 Osajin; 5-Me ether C26H26O5 418.178023 NA MeJP NA NA +MJ058959 Teysmanone B C26H26O5 418.178023 NA MeJP NA NA +MJ058960 Lofepramine C26H27ClN2O 418.181191 NA MeJP NA NA +PJ001145 DER C15H26N6O8 418.1812 NA PeJP NA NA +MJ058961 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol; 1-O-?-D-Glucopyranoside C19H30O10 418.183897 NA MeJP NA NA +MJ058962 3,6,9-Trihydroxy-7-megastigmen-11,5-olide, 3-O-?-D-Glucopyranoside C19H30O10 418.183897 NA MeJP NA NA +PJ001146 VDW C20H26N4O6 418.1853 NA PeJP NA NA +PJ001147 APTM C17H30N4O6S 418.1886 NA PeJP NA NA +MJ058963 1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 3-(2-methylpropanoyl) C23H30O7 418.199153 NA MeJP NA NA +MJ058964 15,16-Epoxy-2-hydroxy-19-nor-6-oxo-13(16),14-clerodadien-17,12-olid-18-oic acid, Butyl ester C23H30O7 418.199153 NA MeJP NA NA +MJ058965 2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4,5-trihydroxyphenyl)-1-propanol; Penta-Me ether C23H30O7 418.199153 NA MeJP NA NA +MJ058966 3,3',4,4',5,5'-Hexahydroxy-7,7'-epoxylignan, 3,3',4,4',5'-Penta-Me ether C23H30O7 418.199153 NA MeJP NA NA +MJ058967 3,3',4,4',5,5'-Hexahydroxy-7,7'-epoxylignan, 3,3',4',5,5'-Penta-Me ether C23H30O7 418.199153 NA MeJP NA NA +MJ058968 3,3',4,4',5,9-Hexahydroxy-7,9'-epoxylignan, 3,3',4,4',5-Penta-Me ether C23H30O7 418.199153 NA MeJP NA NA +MJ058969 3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 3,3',4,4',7'-Penta-Me ether C23H30O7 418.199153 NA MeJP NA NA +MJ058970 3,4-Dihydro-4,5,6,8-tetrahydroxy-3-methyl-1H-2-benzopyran-1-one, 5-Me ether, 6-O-(3,7-dimethyl-2,6-octadienyl), 4-Ac C23H30O7 418.199153 NA MeJP NA NA +MJ058971 6-Protoilludene-5,8,14-triol, 5-O-(2,3,4- or 2,3,5-Trihydroxy-6-methylbenzoyl) C23H30O7 418.199153 NA MeJP NA NA +MJ058972 7,8-Epoxy-3,11,14-trihydroxy-12-oxocard-20(22)-enolide C23H30O7 418.199153 NA MeJP NA NA +MJ058973 7-Protoilludene-1,5,6,14-tetrol, 14-(2,4-Dihydroxy-6-methylbenzoyl) C23H30O7 418.199153 NA MeJP NA NA +MJ058974 7-Protoilludene-1,5,6,14-tetrol, 5-(2,4-Dihydroxy-6-methylbenzoyl) C23H30O7 418.199153 NA MeJP NA NA +MJ058975 7-Protoilludene-5,6,12,14-tetrol, 5-(2,4-Dihydroxy-6-methylbenzoyl) C23H30O7 418.199153 NA MeJP NA NA +MJ058976 7-Protoilludene-5,6,9,14-tetrol, 5-(2,4-Dihydroxy-6-methylbenzoyl) C23H30O7 418.199153 NA MeJP NA NA +MJ058977 8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8,9-Bis(2-methylpropanoyl) C23H30O7 418.199153 NA MeJP NA NA +MJ058978 Asteltoxin C23H30O7 418.199153 NA MeJP NA NA +MJ058979 Bisabosqual A; 19,20-Dihydro, 19?,20-dihydroxy C23H30O7 418.199153 NA MeJP NA NA +MJ058980 Citreoviridinol; 12,13-Diepimer C23H30O7 418.199153 NA MeJP NA NA +MJ058981 Citreoviridinol; 12-Epimer C23H30O7 418.199153 NA MeJP NA NA +MJ058982 Citreoviridinol; 13-Epimer C23H30O7 418.199153 NA MeJP NA NA +MJ058983 Eupodienone 2 C23H30O7 418.199153 NA MeJP NA NA +MJ058984 Gomisin S C23H30O7 418.199153 NA MeJP NA NA +MJ058985 Neocitreoviridinol C23H30O7 418.199153 NA MeJP NA NA +MJ058986 Polysyphorin C23H30O7 418.199153 NA MeJP NA NA +MJ058987 Sarmentosigenin E C23H30O7 418.199153 NA MeJP NA NA +MJ058988 Schizandrin; 3'-O-De-Me C23H30O7 418.199153 NA MeJP NA NA +MJ058989 Schizandrin; 5'-O-De-Me C23H30O7 418.199153 NA MeJP NA NA +MJ058990 Seco-7-hydroxylintetralin C23H30O7 418.199153 NA MeJP NA NA +MJ058991 Virolongin A, 9'-Hydroxy C23H30O7 418.199153 NA MeJP NA NA +MJ058992 Xylaral C23H30O7 418.199153 NA MeJP NA NA +MJ058993 Etodroxizine C23H31ClN2O3 418.20232 NA MeJP NA NA +MJ058994 Glibutimine C21H30N4O3S 418.203861 NA MeJP NA NA +MJ058995 Win 45164 C26H27FN2O2 418.205656 NA MeJP NA NA +PJ001148 GTLE C17H30N4O8 418.2064 NA PeJP NA NA +8018 synthetic peptide LWT 418.21 antibacterial Inhouse_peptide NA peptide +MJ058996 2-[4-[2-[(2-Hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-(2-methoxyethyl)acetamide C22H30N2O6 418.210386 NA MeJP NA NA +MJ058997 Moxicoumone C22H30N2O6 418.210386 NA MeJP NA NA +MJ058998 [2-[[8-(Dimethylamino)octyl]thio]-6-(1-methylethyl)-3-pyridinyl]-2-thienylmethanone C23H34N2OS2 418.211255 NA MeJP NA NA +MJ058999 3,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one, 3-Benzoyl C27H30O4 418.214409 NA MeJP NA NA +MJ059000 Antibiotic CRP 2504-1 C27H30O4 418.214409 NA MeJP NA NA +MJ059001 Monachosorin A; 14'-Me ether C27H30O4 418.214409 NA MeJP NA NA +MJ059002 Descinolone; 16,17-Acetonide C24H31FO5 418.215552 NA MeJP NA NA +MJ059003 Fluorometholone; 17-Ac C24H31FO5 418.215552 NA MeJP NA NA +C14629 Fluorometholone 17-acetate C24H31FO5 418.2156 NA KEGG NA NA +C14653 Descinolone acetonide C24H31FO5 418.2156 NA KEGG NA NA +PJ001149 GSQK C16H30N6O7 418.2176 NA PeJP NA NA +C15180 17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate C24H34O4S 418.2178 NA KEGG NA NA +PJ001150 TLW C21H30N4O5 418.2216 NA PeJP NA NA +PJ001151 GVLM C18H34N4O5S 418.225 NA PeJP NA NA +3261 beta-lactokinin (fr, of beta-lactoglobulin: 142-148) ALPMHIR 418.2282 MH2+ Inhouse_peptide NA peptide +PJ001152 PFR C20H30N6O4 418.2329 NA PeJP NA NA +EUR518 12-HPETE F7 F7 418.234025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR518 12-HPETE F7 NA 418.234025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR518 12-HPETE F7 F7 418.234025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR518 12-HPETE F7 NA 418.234025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR518 12-HPETE F7 F7 418.234025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR518 12-HPETE F7 NA 418.234025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR518 12-HPETE F7 F7 418.234025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR518 12-HPETE F7 F7 418.234025 standards wishlist analysés sur QTOF HMDB NA NA +EUR518 12-HPETE F7 F7 418.234025 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR518 12-HPETE F7 NA 418.234025 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR518 12-HPETE F7 F7 418.234025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR518 12-HPETE F7 F7 418.234025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C10746 Phyllanthin C24H34O6 418.2355 NA KEGG NA NA +C15275 21-Acetoxy-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione C24H34O6 418.2355 NA KEGG NA NA +C15302 11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione C24H34O6 418.2355 NA KEGG NA NA +MJ059004 1,2,5-Vouacapanetriol, 1,2-Di-Ac C24H34O6 418.235538 NA MeJP NA NA +MJ059005 1,3,11-Trihydroxy-16-kauren-15-one, 3,11-Di-Ac C24H34O6 418.235538 NA MeJP NA NA +MJ059006 1,6-Dihydroxyfuranoeremophilan-9-one, 1-(3-Methylbutanoyl), 6-(methylpropanoyl) C24H34O6 418.235538 NA MeJP NA NA +MJ059007 15,16-Dihydroxy-3-erythroxylene-2,7-dione, Di-Ac C24H34O6 418.235538 NA MeJP NA NA +MJ059008 16-Kaurene-3,11,13,15-tetrol, 15-Ketone, 3,11-di-Ac C24H34O6 418.235538 NA MeJP NA NA +MJ059009 17,18-Epoxy-1(19),6,10(17),13-xenicatetraene-11,18-diol, 6?,7?-Epoxide, di-Ac C24H34O6 418.235538 NA MeJP NA NA +MJ059010 18,19-Dihydroxy-3,13-clerodadien-15,16-olide, Di-Ac C24H34O6 418.235538 NA MeJP NA NA +MJ059011 2,5-Dihydroxy-10-oxo-4,10-seco-13(15),17-spatadien-12-al, 2,5-Di-Ac C24H34O6 418.235538 NA MeJP NA NA +MJ059012 22-Deacetylyanuthone A; 1-Hydroxy, 15-Ac C24H34O6 418.235538 NA MeJP NA NA +MJ059013 22-Deacetylyanuthone A; 1-Hydroxy, 22-Ac C24H34O6 418.235538 NA MeJP NA NA +MJ059014 3,19-Dihydroxy-15-kauren-17-oic acid; Di-Ac C24H34O6 418.235538 NA MeJP NA NA +MJ059015 3,3',4,4',9,9'-Hexahydroxylignan, Hexa-Me ether C24H34O6 418.235538 NA MeJP NA NA +MJ059016 3,4-Epoxy-8,10-guaianediol; 8-(3,4-Dimethoxybenzoyl) C24H34O6 418.235538 NA MeJP NA NA +MJ059017 3,5,11,14-Tetrahydroxybufa-20,22-dienolide C24H34O6 418.235538 NA MeJP NA NA +MJ059018 3,5,14,19-Tetrahydroxybufa-20,22-dienolide C24H34O6 418.235538 NA MeJP NA NA +MJ059019 4,7:14,16-Diepoxy-1(14),11,15-cembratriene-2,3-diol, 2,3-Di-Ac C24H34O6 418.235538 NA MeJP NA NA +MJ059020 6,19-Dihydroxy-4(18),13-clerodadien-16,15-olide, 6,19-Di-Ac C24H34O6 418.235538 NA MeJP NA NA +MJ059021 7,11-Dihydroxy-13-spongien-16-one, Di-Ac C24H34O6 418.235538 NA MeJP NA NA +MJ059022 7,12,16-Trihydroxy-8,12-abietadiene-11,14-dione, 7-Et ether, 16-Ac C24H34O6 418.235538 NA MeJP NA NA +MJ059023 8,9-Epoxy-4,6-daucanediol, 6-(3,4-Dimethoxybenzoyl) C24H34O6 418.235538 NA MeJP NA NA +MJ059024 Antibiotic CJ 12954 C24H34O6 418.235538 NA MeJP NA NA +MJ059025 Antibiotic CJ 13015 C24H34O6 418.235538 NA MeJP NA NA +MJ059026 Feropolol C24H34O6 418.235538 NA MeJP NA NA +MJ059027 Fukinolidiol; 1-(3-Methyl-2-butenoyl), 9-(2-methylpropanoyl) C24H34O6 418.235538 NA MeJP NA NA +MJ059028 Fukinolidiol; 9-(3-Methyl-2-butenoyl), 1-(2-methylpropanoyl) C24H34O6 418.235538 NA MeJP NA NA +MJ059029 Fukinolidiol; 9-Angeloyl, 1-(2-methylpropanoyl) C24H34O6 418.235538 NA MeJP NA NA +MJ059030 Mexrenoic acid C24H34O6 418.235538 NA MeJP NA NA +MJ059031 Monacolin J; O1-(2-Methyl-3-oxobutanoyl) C24H34O6 418.235538 NA MeJP NA NA +MJ059032 Oligosporol A C24H34O6 418.235538 NA MeJP NA NA +MJ059033 Phlebiachrysoic acid C C24H34O6 418.235538 NA MeJP NA NA +MJ059034 Spirolaxine; Me ether C24H34O6 418.235538 NA MeJP NA NA +MJ059035 Xeniculin; 8-Deacetoxy, 13,14-deepoxy, 6,7-epoxide C24H34O6 418.235538 NA MeJP NA NA +MetaCyc03476 phorbol 13-butanoate [] C24H34O6 418.235539 NA metacyc NA NA +PJ001153 LMR C17H34N6O4S 418.2362 NA PeJP NA NA +C12062 Naphthyl dipeptide C25H30N4O2 418.2369 NA KEGG NA NA +C12063 Tunicamycin C29H44N4O16 418.2369 NA KEGG NA NA +C15021 4,4'-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine] C30H30N2 418.2409 NA KEGG NA NA +PJ001154 SSLL C18H34N4O7 418.2428 NA PeJP NA NA +HMDB07005 CPA(18:1(11Z)/0:0) C21H39O6P 418.248413 NA HMDB2010 NA NA +HMDB07006 CPA(18:1(9Z)/0:0) C21H39O6P 418.248413 NA HMDB2010 NA NA +MJ059036 3,28-Dihydroxy-24,30-dinor-1(10),3,5,7,20(29)-friedelapentaen-2-one; 28-Aldehyde C28H34O3 418.250794 NA MeJP NA NA +PJ001155 GSKK C17H34N6O6 418.254 NA PeJP NA NA +MJ059037 1,4,11-Eudesmanetriol, 1-O-?-D-Glucopyranoside C21H38O8 418.256668 NA MeJP NA NA +MJ059038 1,4,11-Eudesmanetriol, 4-O-?-D-Glucopyranoside C21H38O8 418.256668 NA MeJP NA NA +MJ059039 1,4,6-Eudesmanetriol, 6-O-?-D-Glucopyranoside C21H38O8 418.256668 NA MeJP NA NA +MJ059040 1,6-Farnesadiene-3,10,11-triol, 10-O-?-D-Glucopyranoside C21H38O8 418.256668 NA MeJP NA NA +MJ059041 1,6-Farnesadiene-3,10,11-triol, 11-O-?-D-glucopyranoside C21H38O8 418.256668 NA MeJP NA NA +MJ059042 1,6-Farnesadiene-3,10,11-triol, 3-O-?-D-Glucopyranoside C21H38O8 418.256668 NA MeJP NA NA +MJ059043 10,11,15-Guaianetriol, 11-O-?-D-Glucopyranoside C21H38O8 418.256668 NA MeJP NA NA +MJ059044 2,4,11-Eudesmanetriol, 11-O-?-D-Glucopyranoside C21H38O8 418.256668 NA MeJP NA NA +MJ059045 Erythronolide A C21H38O8 418.256668 NA MeJP NA NA +C15272 3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate C25H38O5 418.2719 NA KEGG NA NA +HMDB05007 Simvastatin C25H38O5 418.27191 http://www.hmdb.ca/metabolites/HMDB05007 HMDB NA NA +HMDB05007 Simvastatin C25H38O5 418.27191 HMDB05007 PFEM_hmdb_metabocards_official NA NA +HMDB05007 Simvastatin C25H38O5 418.271912 NA HMDB2010 NA NA +MJ059046 11-Eremophilene-3,8,9-triol, 8-Ketone, 3-(3-methyl-2-butenoyl), 9-(2-methylbutanoyl) C25H38O5 418.271924 NA MeJP NA NA +MJ059047 12,16,25-Trihydroxy-17-scalaren-24,25-olide C25H38O5 418.271924 NA MeJP NA NA +MJ059048 12,18-Dihydroxy-16-kauren-19-oic acid, 18-(3-Methylbutanoyl) C25H38O5 418.271924 NA MeJP NA NA +MJ059049 16,24-Epoxy-13,25-dihydroxy-17-cheilanthen-19,25-olide C25H38O5 418.271924 NA MeJP NA NA +MJ059050 16,24-Epoxy-24,25-dihydroxy-17-cheilanthen-19,25-olide C25H38O5 418.271924 NA MeJP NA NA +MJ059051 2,3,16,17-Phyllocladanetetrol, 3-Ketone, 2-(3-methyl-2-butenoyl) C25H38O5 418.271924 NA MeJP NA NA +MJ059052 2,5-Dihydroxy-3-methyl-6-(10-pentadecenyl)-1,4-benzoquinone, 2-Me ether, 5-Ac C25H38O5 418.271924 NA MeJP NA NA +MJ059053 2,5-Dihydroxy-3-methyl-6-(10-pentadecenyl)-1,4-benzoquinone, 5-Me ether, 2-Ac C25H38O5 418.271924 NA MeJP NA NA +MJ059054 2,6,10,14-Phytatetraene-1,16-diol, 1-O-(2-Methylfumaroyl) C25H38O5 418.271924 NA MeJP NA NA +MJ059055 3,18-Dihydroxy-8(17),13-labdadien-15-oic acid, 3-Angeloyl C25H38O5 418.271924 NA MeJP NA NA +MJ059056 3,9-Dihydroxy-15-kauren-19-oic acid, 3-(3-Methylbutanoyl) C25H38O5 418.271924 NA MeJP NA NA +MJ059057 3-Clerodene-15,18,19-triol, 15-Carboxylic acid, 18-aldehyde, 19-(3-methyl-2-butenoyl) C25H38O5 418.271924 NA MeJP NA NA +MJ059058 7-Oxo-3-cleroden-15-oic acid; 6?-Angeloyloxy C25H38O5 418.271924 NA MeJP NA NA +MJ059059 8-Daucene-4,6,10-triol, 6,10-Diangeloyl C25H38O5 418.271924 NA MeJP NA NA +MJ059060 9,15-Dihydroxy-16-kauren-19-oic acid, 15-(3-Methylbutanoyl) C25H38O5 418.271924 NA MeJP NA NA +MJ059061 Juruenolide F C25H38O5 418.271924 NA MeJP NA NA +MJ059062 Luffariolide F C25H38O5 418.271924 NA MeJP NA NA +MJ059063 Luffariolide G C25H38O5 418.271924 NA MeJP NA NA +MJ059064 Salvimirzacolide C25H38O5 418.271924 NA MeJP NA NA +MJ059065 Simvastatin C25H38O5 418.271924 NA MeJP NA NA +MJ059066 Yosgadensolide A C25H38O5 418.271924 NA MeJP NA NA +MJ059067 Yosgadensolide B C25H38O5 418.271924 NA MeJP NA NA +MJ059068 Tomoglumide C24H38N2O4 418.283157 NA MeJP NA NA +MJ059069 9'-Hydroxy-9'-apo-?-caroten-3-one C29H38O2 418.28718 NA MeJP NA NA +MJ059070 9'-Hydroxy-9'-apo-?-caroten-3-one C29H38O2 418.28718 NA MeJP NA NA +HMDB10331 Palmitoyl glucuronide C22H42O7 418.29306 NA HMDB2010 NA NA +C15221 Diisononyl phthalate C26H42O4 418.3083 NA KEGG NA NA +MJ059071 12,16-Dihydroxy-24-methyl-24-oxo-25-scalaranal C26H42O4 418.308309 NA MeJP NA NA +MJ059072 12,16-Dihydroxy-24-methyl-25,24-scalaranolide C26H42O4 418.308309 NA MeJP NA NA +MJ059073 19-(3,4-Methylenedioxyphenyl)nonadecanoic acid C26H42O4 418.308309 NA MeJP NA NA +MJ059074 26,27-Dinorergosta-8(14),22-diene-3,6,15,25-tetrol C26H42O4 418.308309 NA MeJP NA NA +MJ059075 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Hexadecyl ester C26H42O4 418.308309 NA MeJP NA NA +MJ059076 Aculeatin A C26H42O4 418.308309 NA MeJP NA NA +MJ059077 Maesaquinone C26H42O4 418.308309 NA MeJP NA NA +MJ059078 Maxacalcitol C26H42O4 418.308309 NA MeJP NA NA +MJ059079 2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaen-1-ol C30H42O 418.323565 NA MeJP NA NA +MJ059080 8'-Apo-?-caroten-8'-al; 8'-Alcohol C30H42O 418.323565 NA MeJP NA NA +MJ059081 ?-Citraurol; 8'-Deoxy C30H42O 418.323565 NA MeJP NA NA +MJ059082 2-Hexaprenylphenol C30H42O 418.323566 NA MeJP NA NA +MetaCyc03477 8'-apo-β-carotenol [2,6,11,15-tetramethyl-17-[(2,6,6-trimethyl-1-cyclohexenyl)] heptadeca-2,4,6,8,10,12,14,16-octaen-1-ol;] C30H42O1 418.323566 NA metacyc NA NA +C06733 8'-apo-beta-Carotenol C30H42O 418.3236 NA KEGG NA NA +MJ059083 Axinellamine B C29H42N2 418.334799 NA MeJP NA NA +MJ059084 17alpha,20alpha-Dihydroxycholesterol C27H46O3 418.344695 NA MeJP NA NA +MJ059085 20alpha,22beta-Dihydroxycholesterol C27H46O3 418.344695 NA MeJP NA NA +MJ059086 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al C27H46O3 418.344695 NA MeJP NA NA +MJ059087 7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one C27H46O3 418.344695 NA MeJP NA NA +MJ059088 7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one C27H46O3 418.344695 NA MeJP NA NA +MJ059089 1-Hydroxy-2,5,16-pentacosatrien-4-one, Ac C27H46O3 418.344695 NA MeJP NA NA +MJ059090 1-Hydroxy-2,5,18-pentacosatrien-4-one, Ac C27H46O3 418.344695 NA MeJP NA NA +MJ059091 1-Hydroxy-2,5,20-pentacosatrien-4-one, Ac C27H46O3 418.344695 NA MeJP NA NA +MJ059092 16,20-Dihydroxycholestan-3-one C27H46O3 418.344695 NA MeJP NA NA +MJ059093 2-(4-Hydroxyphenyl)ethanol; 1-O-Nonadecanoyl C27H46O3 418.344695 NA MeJP NA NA +MJ059094 3,10-Dihydroxy-9,10-secocholest-5-en-7-one C27H46O3 418.344695 NA MeJP NA NA +MJ059095 3,11-Dihydroxy-9,11-secocholest-5-en-9-one C27H46O3 418.344695 NA MeJP NA NA +MJ059096 5,6-Secocholesta-7,22-diene-3,5,6-triol C27H46O3 418.344695 NA MeJP NA NA +MJ059097 8,9-Epoxycholestane-3,6-diol C27H46O3 418.344695 NA MeJP NA NA +MJ059098 9,10-Secocholesta-5,7-diene-3,23,25-triol C27H46O3 418.344695 NA MeJP NA NA +MJ059099 9,10-Secocholesta-5,7-diene-3,24,25-triol C27H46O3 418.344695 NA MeJP NA NA +MJ059100 Capiquinones; Capiquinone D C27H46O3 418.344695 NA MeJP NA NA +MJ059101 Cholest-22-ene-3,5,6-triol C27H46O3 418.344695 NA MeJP NA NA +MJ059102 Cholest-24-ene-3,6,7-triol C27H46O3 418.344695 NA MeJP NA NA +MJ059103 Cholest-5-ene-1,3,11-triol C27H46O3 418.344695 NA MeJP NA NA +MJ059104 Cholest-5-ene-3,15,26-triol C27H46O3 418.344695 NA MeJP NA NA +MJ059105 Cholest-5-ene-3,16,20-triol C27H46O3 418.344695 NA MeJP NA NA +MJ059106 Cholest-5-ene-3,16,22-triol C27H46O3 418.344695 NA MeJP NA NA +MJ059107 Cholest-5-ene-3,22,26-triol C27H46O3 418.344695 NA MeJP NA NA +MJ059108 Cholest-5-ene-3,4,22-triol C27H46O3 418.344695 NA MeJP NA NA +MJ059109 Cholest-5-ene-3,7,19-triol C27H46O3 418.344695 NA MeJP NA NA +MJ059110 Cholest-6-ene-3,15,26-triol C27H46O3 418.344695 NA MeJP NA NA +MJ059111 Cholest-9(11)-ene-3,6,23-triol C27H46O3 418.344695 NA MeJP NA NA +MJ059112 Cholesta-7,22-diene-3,5,6-triol, 22,23-Dihydro C27H46O3 418.344695 NA MeJP NA NA +MetaCyc03478 7-α,27-dihydroxycholesterol [] C27H46O3 418.344695 NA metacyc NA NA +MetaCyc03479 20α-20β-dihydroxy-cholesterol [20-a-20-b-dihydroxycholesterol;] C27H46O3 418.344695 NA metacyc NA NA +HMDB06280 7-a,25-Dihydroxycholesterol C27H46O3 418.344696 NA HMDB2010 NA NA +HMDB06281 7-a,27-dihydroxycholesterol C27H46O3 418.344696 NA HMDB2010 NA NA +HMDB06763 20a,22b-Dihydroxycholesterol C27H46O3 418.344696 NA HMDB2010 NA NA +HMDB06764 17a,20a-Dihydroxycholesterol C27H46O3 418.344696 NA HMDB2010 NA NA +HMDB06886 7a,12a-Dihydroxy-5a-cholestan-3-one C27H46O3 418.344696 NA HMDB2010 NA NA +HMDB06887 7a,12a-Dihydroxy-5b-cholestan-3-one C27H46O3 418.344696 NA HMDB2010 NA NA +HMDB06894 3a,7a-Dihydroxy-5b-cholestan-26-al C27H46O3 418.344696 NA HMDB2010 NA NA +HMDB11644 (24R)-Cholest-5-ene-3-beta,7-alpha,24-triol C27H46O3 418.344696 NA HMDB2010 NA NA +HMDB06280 7-alpha,25-Dihydroxycholesterol C27H46O3 418.3447 http://www.hmdb.ca/metabolites/HMDB06280 HMDB NA NA +HMDB06281 7-alpha,27-Dihydroxycholesterol C27H46O3 418.3447 http://www.hmdb.ca/metabolites/HMDB06281 HMDB NA NA +HMDB06763 20alpha,22beta-Dihydroxycholesterol C27H46O3 418.3447 http://www.hmdb.ca/metabolites/HMDB06763 HMDB NA NA +HMDB06764 17alpha,20alpha-Dihydroxycholesterol C27H46O3 418.3447 http://www.hmdb.ca/metabolites/HMDB06764 HMDB NA NA +HMDB06886 7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one C27H46O3 418.3447 http://www.hmdb.ca/metabolites/HMDB06886 HMDB NA NA +HMDB06887 7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one C27H46O3 418.3447 http://www.hmdb.ca/metabolites/HMDB06887 HMDB NA NA +HMDB06894 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al C27H46O3 418.3447 http://www.hmdb.ca/metabolites/HMDB06894 HMDB NA NA +C05445 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al C27H46O3 418.3447 NA KEGG NA NA +C05453 7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one C27H46O3 418.3447 NA KEGG NA NA +C05458 7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one C27H46O3 418.3447 NA KEGG NA NA +C05499 17alpha,20alpha-Dihydroxycholesterol C27H46O3 418.3447 NA KEGG NA NA +C05501 20alpha,22beta-Dihydroxycholesterol C27H46O3 418.3447 NA KEGG NA NA +C06341 7alpha,27-Dihydroxycholesterol C27H46O3 418.3447 NA KEGG NA NA +C15518 (24S)-Cholest-5-ene-3beta,7alpha,24-triol C27H46O3 418.3447 NA KEGG NA NA +C15520 Cholest-5-ene-3beta,7alpha,25-triol C27H46O3 418.3447 NA KEGG NA NA +C15521 Alkanesulfonate CH3O3SR 418.3447 NA KEGG NA NA +HMDB06280 7-alpha,25-Dihydroxycholesterol C27H46O3 418.3447 HMDB06280 PFEM_hmdb_metabocards_official NA NA +HMDB06281 7-alpha,27-Dihydroxycholesterol C27H46O3 418.3447 HMDB06281 PFEM_hmdb_metabocards_official NA NA +HMDB06763 20alpha,22beta-Dihydroxycholesterol C27H46O3 418.3447 HMDB06763 PFEM_hmdb_metabocards_official NA NA +HMDB06764 17alpha,20alpha-Dihydroxycholesterol C27H46O3 418.3447 HMDB06764 PFEM_hmdb_metabocards_official NA NA +HMDB06886 7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one C27H46O3 418.3447 HMDB06886 PFEM_hmdb_metabocards_official NA NA +HMDB06887 7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one C27H46O3 418.3447 HMDB06887 PFEM_hmdb_metabocards_official NA NA +HMDB06894 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al C27H46O3 418.3447 HMDB06894 PFEM_hmdb_metabocards_official NA NA +MJ059113 Cyclomicrophylline I; 6,7-Dihydro, N20,N20-di-Me C26H46N2O2 418.355928 NA MeJP NA NA +MJ059114 5,9,19-Octacosatrienoic acid C28H50O2 418.38108 NA MeJP NA NA +MJ059115 Amphimic acid B; 21,22-Dihydro C28H50O2 418.38108 NA MeJP NA NA +MJ059116 Ergostane-3,22-diol C28H50O2 418.38108 NA MeJP NA NA +MJ059117 Ergostane-3,24-diol C28H50O2 418.38108 NA MeJP NA NA +MJ059118 Ergostane-3,6-diol C28H50O2 418.38108 NA MeJP NA NA +MetaCyc03480 6-deoxocathasterone [deoxocathasterone;] C28H50O2 418.381081 NA metacyc NA NA +MetaCyc03481 (6α)-hydroxycampestanol [hydroxycampestanol;] C28H50O2 418.381081 NA metacyc NA NA +C15788 6alpha-Hydroxycampestanol C28H50O2 418.3811 NA KEGG NA NA +C15798 6-Deoxocathasterone C28H50O2 418.3811 NA KEGG NA NA +C16251 3-epi-6-Deoxocathasterone C28H50O2 418.3811 NA KEGG NA NA +MJ059119 5,7-Dibromo-8-hydroxy-2-methylquinoline; Benzoyl C17H11Br2NO2 418.915653 NA MeJP NA NA +MJ059120 Dispacamide A; 9-Hydroxy C11H11Br2N5O3 418.922864 NA MeJP NA NA +MJ059121 Molokaiamine; 1''-Hydroxy, N3''-(cyanocarbonyl) C13H15Br2N3O3 418.948016 NA MeJP NA NA +MJ059122 2'-[(4-Bromo-2-fluorophenyl)methyl]spiro[pyrrolidine-3,4'(1'H)-pyrrolo[1,2-a]pyrazine]-1',2,3',5(2'H)-tetrone C17H11BrFN3O4 418.991696 NA MeJP NA NA +C14861 S-(2,2-Dichloro-1-hydroxy)ethyl glutathione C12H19Cl2N3O7S 419.0321 NA KEGG NA NA +MJ059123 4-(Methylthio)-3-butenyl glucosinolate C12H21NO9S3 419.037843 NA MeJP NA NA +FL7ARXNS0001 Rosacyanin B;11-(3,4-Dihydroxyphenyl)-4,5,8-trihydroxy-2-oxo-2H-1,6-dioxa-10-oxoniabenzo[cd]pyrene C22H11O9 419.0403 350484-25-2 knapsack NA NA +C01865 Zopolrestat C19H12F3N3O3S 419.0551 NA KEGG NA NA +C01866 beta-Lactam C19H12F3N3O3S 419.0551 NA KEGG NA NA +C01867 tau-Protein C19H12F3N3O3S 419.0551 NA KEGG NA NA +MJ059124 Zopolrestat C19H12F3N3O3S 419.055146 NA MeJP NA NA +MJ059125 4-[[(4-Azidophenyl)acetyl]amino]-5,7-dichloro-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid C18H15Cl2N5O3 419.055194 NA MeJP NA NA +MJ059126 3-(Methoxycarbonyl)propyl glucosinolate C12H21NO11S2 419.055601 NA MeJP NA NA +MJ059127 Ochratoxin A; 4S-Hydroxy C20H18ClNO7 419.077179 NA MeJP NA NA +C10950 Prosulfuron C15H16F3N5O4S 419.0875 NA KEGG NA NA +MJ059128 Bromperidol C21H23BrFNO2 419.089619 NA MeJP NA NA +MJ059129 6-Thioinosine; S-(4-Nitrobenzyl) C17H17N5O6S 419.089953 NA MeJP NA NA +FL7AACGS0001 Cyanidin 3-arabinoside C20H19O10 419.09782 57186-11-5 knapsack NA NA +FL7AACGS0002 Cyanidin 3-xyloside C20H19O10 419.09782 29761-24-8 knapsack NA NA +MJ059130 Mepenzolate(1+), Bromide C21H26BrNO3 419.109606 NA MeJP NA NA +MJ059131 Methantheline(1+); Bromide C21H26BrNO3 419.109606 NA MeJP NA NA +MJ059132 Parapenzolate(1+); Bromide C21H26BrNO3 419.109606 NA MeJP NA NA +MJ059133 Cloflumide C21H23ClFN3OS 419.123438 NA MeJP NA NA +C10988 Fenvalerate C25H22ClNO3 419.1288 NA KEGG NA NA +C18147 Esfenvalerate C25H22ClNO3 419.1288 NA KEGG NA NA +PJ001156 GNDD C14H21N5O10 419.1289 NA PeJP NA NA +MJ059134 Jadomycin C24H21NO6 419.136887 NA MeJP NA NA +PJ001157 SPCN C15H25N5O7S 419.1475 NA PeJP NA NA +MJ059135 Isonaamidine A; O11-Me C22H21N5O4 419.159354 NA MeJP NA NA +PJ001158 GSQE C15H25N5O9 419.1652 NA PeJP NA NA +PJ001159 GGGTE C15H25N5O9 419.1653 NA PeJP NA NA +C06447 2-N,6-N-Bis(2,3-dihydroxy-N-benzoyl)-L-serine amide C20H25N3O7 419.1693 NA KEGG NA NA +MJ059136 8-(2-Oxobutyl)dihydrochelerythrine C25H25NO5 419.173272 NA MeJP NA NA +MJ059137 8-(4-Hydroxybenzyl)-2-methoxy-3,10,11-berbintriol C25H25NO5 419.173272 NA MeJP NA NA +MJ059138 Natalinine; 1''-Alcohol C25H25NO5 419.173272 NA MeJP NA NA +MJ059139 Valachine C25H25NO5 419.173272 NA MeJP NA NA +PJ001160 SQW C19H25N5O6 419.1805 NA PeJP NA NA +PJ001161 AAQM C16H29N5O6S 419.1839 NA PeJP NA NA +PJ001162 NMR C15H29N7O5S 419.1951 NA PeJP NA NA +PJ001163 GSKE C16H29N5O8 419.2016 NA PeJP NA NA +MJ059140 Pentetic acid; 1,11-Bis(methylamide) C16H29N5O8 419.201612 NA MeJP NA NA +MJ059141 N-[1'-(6-Cyano-1,2,3,4-tetrahydro-2-naphthalenyl)-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]methanesulfonamide C25H29N3OS 419.203133 NA MeJP NA NA +C11302 S-Octyl GSH C18H33N3O6S 419.209 NA KEGG NA NA +MJ059142 Ancistrobrevine B; 1,2-Didehydro, 6-Me ether C26H29NO4 419.209658 NA MeJP NA NA +MJ059143 Ancistrobrevine B; Atropisomer, 1,2-didehydro, 6-Me ether C26H29NO4 419.209658 NA MeJP NA NA +MJ059144 Ancistrocladine; Atropisomer, 1,2-didehydro, Me ether C26H29NO4 419.209658 NA MeJP NA NA +MJ059145 Ancistrocladisine C26H29NO4 419.209658 NA MeJP NA NA +MJ059146 Terflavoxate C26H29NO4 419.209658 NA MeJP NA NA +PJ001164 GSTR C15H29N7O7 419.2129 NA PeJP NA NA +MJ059147 Gerambullin; N-Me C23H33NO4S 419.213029 NA MeJP NA NA +PJ001165 SKW C20H29N5O5 419.2169 NA PeJP NA NA +PJ001166 AAKM C17H33N5O5S 419.2203 NA PeJP NA NA +MJ059148 Adimolol C25H29N3O3 419.220891 NA MeJP NA NA +MJ059149 Pleurostyline; 7R-Hydroxy C25H29N3O3 419.220891 NA MeJP NA NA +MJ059150 Antibiotic U 62162 C23H33NO6 419.230787 NA MeJP NA NA +MJ059151 Zalospirone C24H29N5O2 419.232125 NA MeJP NA NA +PJ001167 ATTK C17H33N5O7 419.238 NA PeJP NA NA +C14596 Ethamoxytriphetol C27H33NO3 419.246 NA KEGG NA NA +MJ059152 Ethamoxytriphetol C27H33NO3 419.246043 NA MeJP NA NA +MJ059153 Hericerin C27H33NO3 419.246043 NA MeJP NA NA +MJ059154 Paxilline; 4b-Deoxy C27H33NO3 419.246043 NA MeJP NA NA +MJ059155 Stacofylline C20H33N7O3 419.264487 NA MeJP NA NA +MJ059156 Aconosine; O14-Ac C24H37NO5 419.267173 NA MeJP NA NA +MJ059157 Aspochalasin C; 19,20-Dihydro, 19-hydroxy C24H37NO5 419.267173 NA MeJP NA NA +MJ059158 Bicolorine; 6-Ketone, O1,O8-di-Me C24H37NO5 419.267173 NA MeJP NA NA +MJ059159 Karakoline; O14-Ac C24H37NO5 419.267173 NA MeJP NA NA +MJ059160 Norcassamide C24H37NO5 419.267173 NA MeJP NA NA +MJ059161 Sinulamine II C24H37NO5 419.267173 NA MeJP NA NA +MJ059162 Talatizamine; 14-Ketone C24H37NO5 419.267173 NA MeJP NA NA +MJ059163 24,25-Dehydro-10,11-dihydroaflavinine; 13-Oxo C28H37NO2 419.282429 NA MeJP NA NA +MJ059164 Aflavinine; 10,11-Dihydro, 24,25-didehydro, 13-oxo C28H37NO2 419.282429 NA MeJP NA NA +HMDB06463 Stearidonyl carnitine C25H41NO4 419.303558 NA HMDB2010 NA NA +HMDB06463 Stearidonyl carnitine C25H41NO4 419.30356 http://www.hmdb.ca/metabolites/HMDB06463 HMDB NA NA +HMDB06463 Stearidonyl carnitine C25H41NO4 419.30356 HMDB06463 PFEM_hmdb_metabocards_official NA NA +C12157 Myxalamid S C25H41NO4 419.3036 NA KEGG NA NA +MJ059165 Methyl 3-alkylpyrrole-2-carboxylates; Methyl 3-heneicosyl-1H-pyrrole-2-carboxylate C27H49NO2 419.376329 NA MeJP NA NA +C08040 Iodine aqueous KI3 419.6771 NA KEGG NA NA +C08041 Transferred to D00861 KI3 419.6771 NA KEGG NA NA +C18146 Oxychlordane C10H4Cl8O 419.777 NA KEGG NA NA +MJ059166 Filiformin; 6-Iodo C15H18BrIO 419.958571 NA MeJP NA NA +MJ059167 Laurene; 7-Hydroxy, 10-bromo, 11-iodo C15H18BrIO 419.958571 NA MeJP NA NA +HMDB01143 Inositol 1,3,4-trisphosphate C6H15O15P3 419.96237 http://www.hmdb.ca/metabolites/HMDB01143 HMDB NA NA +HMDB01498 Inositol 1,4,5-trisphosphate C6H15O15P3 419.96237 http://www.hmdb.ca/metabolites/HMDB01498 HMDB NA NA +HMDB01143 Inositol 1,3,4-trisphosphate C6H15O15P3 419.96237 HMDB01143 PFEM_hmdb_metabocards_official NA NA +HMDB01498 Inositol 1,4,5-trisphosphate C6H15O15P3 419.96237 HMDB01498 PFEM_hmdb_metabocards_official NA NA +HMDB01143 Inositol 1,3,4-trisphosphate C6H15O15P3 419.962372 NA HMDB2010 NA NA +HMDB01498 Inositol 1,4,5-trisphosphate C6H15O15P3 419.962372 NA HMDB2010 NA NA +MJ059168 1D-myo-Inositol 1,3,4-trisphosphate C6H15O15P3 419.962379 NA MeJP NA NA +MJ059169 D-myo-Inositol 1,4,5-trisphosphate C6H15O15P3 419.962379 NA MeJP NA NA +MJ059170 myo-Inositol; 1,2,6-Triphosphate C6H15O15P3 419.962379 NA MeJP NA NA +MJ059171 myo-Inositol; 1,3,4-Triphosphate C6H15O15P3 419.962379 NA MeJP NA NA +MJ059172 myo-Inositol; 1,4,5-Triphosphate C6H15O15P3 419.962379 NA MeJP NA NA +C01243 1D-myo-Inositol 1,3,4-trisphosphate C6H15O15P3 419.9624 NA KEGG NA NA +C01245 D-myo-Inositol 1,4,5-trisphosphate C6H15O15P3 419.9624 NA KEGG NA NA +C01246 Dolichyl beta-D-glucosyl phosphate C26H47O9P 419.9624 NA KEGG NA NA +C01247 [Acetyl-CoA carboxylase] phosphate C4H7N2O6PR2 419.9624 NA KEGG NA NA +MJ059173 Dysamide A; 3'-Dechloro, 1',2',3,3'-tetradehydro(Z-) C14H17Cl5N2O2 419.973266 NA MeJP NA NA +MJ059174 Thimerfonate C8H10HgO3S2 419.977761 NA MeJP NA NA +MJ059175 4-Thiouridine; 5'-Diphosphate C9H14N2O11P2S 419.979353 NA MeJP NA NA +MJ059176 Japonenyne A; 6,7-Dihydro, 7-methoxy C16H22Br2O3 419.993569 NA MeJP NA NA +MJ059177 13-Chloro-N-(2-chloroethyl)-10-oxo-5,6-dithia-2,9,11-triazatridecanamide; N,N-Dinitroso C10H18Cl2N6O4S2 420.020799 NA MeJP NA NA +MJ059178 Topsentin A; 22-Hydroxy, 7-bromo C20H13BrN4O2 420.022188 NA MeJP NA NA +MJ059179 Topsentin A; 7-Hydroxy, 21-bromo C20H13BrN4O2 420.022188 NA MeJP NA NA +MJ059180 Tiflamizole C17H10F6N2O2S 420.036717 NA MeJP NA NA +MJ059181 Epicorazine A C18H16N2O6S2 420.044977 NA MeJP NA NA +MJ059182 Thamnolic acid C19H16O11 420.069261 NA MeJP NA NA +MJ059183 Netobimin C14H20N4O7S2 420.07734 NA MeJP NA NA +MJ059184 Muscaaurin II C18H16N2O10 420.080494 NA MeJP NA NA +C08560 Musca-aurin-II C18H16N2O10 420.0805 NA KEGG NA NA +MJ059185 Knipholone; 4'-O-De-Me C23H16O8 420.084517 NA MeJP NA NA +C13973 Methicillin sodium C17H19N2O6S 420.0967 NA KEGG NA NA +C13974 Transferred to D02197 C17H19N2O6S 420.0967 NA KEGG NA NA +C13975 Transferred to D02198 C17H19N2O6S 420.0967 NA KEGG NA NA +MJ059186 Xylerythrinin C27H16O5 420.099773 NA MeJP NA NA +FL4DAAGS0001 Aromadendrin 3-beta-L-arabinopyranoside C20H20O10 420.10564 158110-38-4 knapsack NA NA +FL4DAAGS0008 Aromadendrin 4'-xyloside C20H20O10 420.10564 72539-33-4 knapsack NA NA +FL5FGGNS0005 5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone C20H20O10 420.10564 78516-77-5 knapsack NA NA +FL5FGGNS0006 5,7,4'-Trihydroxy-3,6,8,3',5'-pentamethoxyflavone C20H20O10 420.10564 96887-19-3 knapsack NA NA +FL5FGGNS0007 5,7,3'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone C20H20O10 420.10564 96887-20-6 knapsack NA NA +FL5FGGNS0008 3-Demethyldigicitrin;3,5,3'-Trihydroxy-6,7,8,4',5'-pentamethoxyflavone;3,5-Dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one C20H20O10 420.10564 158437-61-7 knapsack NA NA +FL5FGLNS0008 5,4',5'-Trihydroxy-3,6,7,8,2'-pentamethoxyflavone C20H20O10 420.10564 113744-05-1 knapsack NA NA +FL5FGLNS0009 5,7,4'-Trihydroxy-3,6,8,2',5'-pentamethoxyflavone C20H20O10 420.10564 107644-09-7 knapsack NA NA +FL5FGLNS0010 5,7,2'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone C20H20O10 420.10564 100363-94-8 knapsack NA NA +MJ059187 1,2,3-Trihydroxyxanthone; 3-Me ether, 1-O-?-D-glucopyranoside C20H20O10 420.105646 NA MeJP NA NA +MJ059188 1,3,5-Trihydroxyxanthone; 5-Me ether, 1-O-?-D-glucopyranoside C20H20O10 420.105646 NA MeJP NA NA +MJ059189 1,3,7-Trihydroxyxanthone; 3-Me ether, 7-O-?-D-glucopyranoside C20H20O10 420.105646 NA MeJP NA NA +MJ059190 1,6,7-Trihydroxyxanthone; 7-Me ether, 6-O-?-D-glucopyranoside C20H20O10 420.105646 NA MeJP NA NA +MJ059191 2',3,4',5,5',6,7,8-Octahydroxyflavone; 2',3,4',6,7-Penta-Me ether C20H20O10 420.105646 NA MeJP NA NA +MJ059192 2',3,4',5,5',6,7,8-Octahydroxyflavone; 2',3,5',6,8-Penta-Me ether C20H20O10 420.105646 NA MeJP NA NA +MJ059193 2',3,4',5,5',6,7,8-Octahydroxyflavone; 2',3,6,7,8-Penta-Me ether C20H20O10 420.105646 NA MeJP NA NA +MJ059194 2',3,4',5,5',6,7,8-Octahydroxyflavone; 3,4',5',6,8-Penta-Me ether C20H20O10 420.105646 NA MeJP NA NA +MJ059195 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3',4',6,7,8-Penta-Me ether C20H20O10 420.105646 NA MeJP NA NA +MJ059196 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,3',4',6,8-Penta-Me ether C20H20O10 420.105646 NA MeJP NA NA +MJ059197 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,3',5',6,8-Penta-Me ether C20H20O10 420.105646 NA MeJP NA NA +MJ059198 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',5',6,8-Penta-Me ether C20H20O10 420.105646 NA MeJP NA NA +MJ059199 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',6,7,8-Penta-Me ether C20H20O10 420.105646 NA MeJP NA NA +MJ059200 3,4',5,7-Tetrahydroxyflavanone, 3-O-?-L-Arabinopyranoside C20H20O10 420.105646 NA MeJP NA NA +MJ059201 3,4',5,7-Tetrahydroxyflavanone, 4'-O-D-Xyloside C20H20O10 420.105646 NA MeJP NA NA +MJ059202 3,4',5,7-Tetrahydroxyflavanone, O-Xyloside C20H20O10 420.105646 NA MeJP NA NA +MJ059203 Quadrosilan C18H28O4Si4 420.106465 NA MeJP NA NA +MJ059204 Bismurrayaquinone A C26H16N2O4 420.111007 NA MeJP NA NA +PJ001168 GDDD C14H20N4O11 420.1129 NA PeJP NA NA +MJ059205 Doripenem C15H24N4O6S2 420.113725 NA MeJP NA NA +MJ059206 Darglitazone C23H20N2O4S 420.114377 NA MeJP NA NA +MJ059207 Melithiazoles; Melithiazole B C20H24N2O4S2 420.117748 NA MeJP NA NA +MJ059208 Acefylline; Clofibrate C19H21ClN4O5 420.120047 NA MeJP NA NA +MJ059209 Etofylline clofibrate C19H21ClN4O5 420.120047 NA MeJP NA NA +FL3F19NF0004 Glabratephrin;(3R,4R)-rel-(-)-4-(Acetyloxy)-4,5-dihydro-5,5-dimethyl-2'-phenylspiro[furan-3(2H),9'(8'H)-[4H]furo[2,3-h][1]benzopyran]-2,4'-dione C24H20O7 420.1209 51311-64-9 knapsack NA NA +FL3FA9NC0001 5-O-Methylhoslundin;5,7-Dimethoxy-6-(5-methoxy-6-methyl-4-oxo-4H-pyran-3-yl)-2-phenyl-4H-1-benzopyran-4-one C24H20O7 420.1209 135404-71-6 knapsack NA NA +FL3FA9NC0004 Oppositin C24H20O7 420.1209 151590-48-6 knapsack NA NA +FL3FA9NF0004 Tephrorianin C24H20O7 420.1209 204514-57-8 knapsack NA NA +MJ059210 Artonol B C24H20O7 420.120902 NA MeJP NA NA +MJ059211 Glabratephrin C24H20O7 420.120902 NA MeJP NA NA +MJ059212 Hoslundin; Me ether C24H20O7 420.120902 NA MeJP NA NA +MJ059213 Knipholone; 10-Deoxo C24H20O7 420.120902 NA MeJP NA NA +MJ059214 Oppositin C24H20O7 420.120902 NA MeJP NA NA +MJ059215 Tephrorianin C24H20O7 420.120902 NA MeJP NA NA +MJ059216 10-Carboxyloganin C17H24O12 420.126776 NA MeJP NA NA +MJ059217 Hastatoside; 10-Hydroxy C17H24O12 420.126776 NA MeJP NA NA +MJ059218 Hastatoside; 8-Epimer, 9?-hydroxy C17H24O12 420.126776 NA MeJP NA NA +MJ059219 Piptoside C17H24O12 420.126776 NA MeJP NA NA +MJ059220 Secogalioside C17H24O12 420.126776 NA MeJP NA NA +MJ059221 Sesamoside C17H24O12 420.126776 NA MeJP NA NA +C11674 Secogalioside C17H24O12 420.1268 NA KEGG NA NA +C14918 9-Bromo-16alpha-methyl-pregn-4-ene-3,11,20-trione C22H29BrO3 420.13 NA KEGG NA NA +MJ059222 Peyssonol A C22H29BrO3 420.130007 NA MeJP NA NA +PJ001169 SPCD C15H24N4O8S 420.1315 NA PeJP NA NA +C09500 Melampodin A C21H24O9 420.142 NA KEGG NA NA +C09754 Glycyphyllin C21H24O9 420.142 NA KEGG NA NA +C10266 Isorhapontin C21H24O9 420.142 NA KEGG NA NA +C10288 Rhaponticin C21H24O9 420.142 NA KEGG NA NA +FL1D1AGS0001 Davidioside C21H24O9 420.14203 23140-78-5 knapsack NA NA +FL1D1AGS0002 Confusoside C21H24O9 420.14203 21562-22-1 knapsack NA NA +FL1DAAGS0001 Glycyphyllin C21H24O9 420.14203 19253-17-9 knapsack NA NA +FL63AAGS0005 Afzelechin 3-O-alpha-L-rhamnopyranoside C21H24O9 420.14203 142741-31-9 knapsack NA NA +MJ059223 1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac C21H24O9 420.142032 NA MeJP NA NA +MJ059224 1,2:4,5-Diepoxy-8,13-dihydroxy-7(11),10(14)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2-propenoyl), 13-Ac C21H24O9 420.142032 NA MeJP NA NA +MJ059225 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone; 2'-O-?-D-Glucopyranoside C21H24O9 420.142032 NA MeJP NA NA +MJ059226 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone; 4'-O-?-D-Glucopyranoside C21H24O9 420.142032 NA MeJP NA NA +MJ059227 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3'-Me ether, 3''-O-?-D-glucopyranoside C21H24O9 420.142032 NA MeJP NA NA +MJ059228 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3'-Me ether, 4'-O-?-D-glucopyranoside C21H24O9 420.142032 NA MeJP NA NA +MJ059229 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 4'-Me ether, 3''-O-?-D-glucopyranoside C21H24O9 420.142032 NA MeJP NA NA +MJ059230 2,3-Epoxy-8,9-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2R,3R-Epoxy-2-methylbutanoyl), Me ester C21H24O9 420.142032 NA MeJP NA NA +MJ059231 3,4',5,7-Tetrahydroxyflavan, 3-O-?-L-Rhamnopyranoside C21H24O9 420.142032 NA MeJP NA NA +MJ059232 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2'-O-?-L-Rhamnopyranoside C21H24O9 420.142032 NA MeJP NA NA +MJ059233 3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2'-O-?-D-Glucopyranoside C21H24O9 420.142032 NA MeJP NA NA +MJ059234 3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4'-O-?-D-Glucopyranoside C21H24O9 420.142032 NA MeJP NA NA +MJ059235 5,8,9-Trihydroxy-14-oxo-1(10),4(15),11(13)-germacratrien-12,6-olide, 4?,15-Epoxide, 8-O-(2-methyl-2-propenoyl), 9-Ac C21H24O9 420.142032 NA MeJP NA NA +MJ059236 Abruquinone A, 6',8-Dimethoxy C21H24O9 420.142032 NA MeJP NA NA +MJ059237 Aloesaponol II, 6-Glucoside C21H24O9 420.142032 NA MeJP NA NA +MJ059238 Aloesaponol III, 8-O-?-D-Glucopyranoside C21H24O9 420.142032 NA MeJP NA NA +MJ059239 Cochinolide; 6-O-?-D-Glucopyranoside C21H24O9 420.142032 NA MeJP NA NA +MJ059240 Dihydroxythujaplicatin; 5-Me ether C21H24O9 420.142032 NA MeJP NA NA +MJ059241 Gorgiacerodiol; 3?,4?:5?,6?-Diepoxide C21H24O9 420.142032 NA MeJP NA NA +MJ059242 Nodifloridin B C21H24O9 420.142032 NA MeJP NA NA +MJ059243 Ononetin; 4'-O-?-D-Glucopyranoside C21H24O9 420.142032 NA MeJP NA NA +PJ001170 GCNQ C14H24N6O7S 420.1427 NA PeJP NA NA +PJ001171 GGGGAC C14H24N6O7S 420.1428 NA PeJP NA NA +MJ059244 Dactylomelol C20H34BrClO2 420.14307 NA MeJP NA NA +MJ059245 Talmetoprim C22H20N4O5 420.143369 NA MeJP NA NA +MJ059246 Bikoeniquinone A C27H20N2O3 420.147392 NA MeJP NA NA +PJ001172 GSEE C15H24N4O10 420.1493 NA PeJP NA NA +PJ001173 APCM C16H28N4O5S2 420.1501 NA PeJP NA NA +MJ059247 Pyridindolol, 14-O-?-D-Glucopyranoside C20H24N2O8 420.153265 NA MeJP NA NA +MJ059248 Pyridindolol, 15-O-?-D-Glucopyranoside C20H24N2O8 420.153265 NA MeJP NA NA +MJ059249 Pyridindolol, 16-O-?-D-Glucopyranoside C20H24N2O8 420.153265 NA MeJP NA NA +MetaCyc03482 dipyrromethane [3-{2-[4-(2-carboxy-ethyl)-3-carboxymethyl-5H-pyrrol-2-ylmethyl]-4-carboxymethyl-5-methyl-2H-pyrrol-3-yl}-propionate;dipyrromethane cofactor;] C20H24N2O8 420.153266 NA metacyc NA NA +C06446 2-N,6-N-Bis(2,3-dihydroxy-N-benzoyl)-L-serine C20H24N2O8 420.1533 NA KEGG NA NA +FL2FALNP0020 Sanggenol O;(2S)-5,7-Dihydroxy-bis(6'',6''-dimethylpyrano[2'',3'':2',3'][2'',3'':4',5']flavanone C25H24O6 420.15728 426211-27-0 knapsack NA NA +FL3FAANP0009 Yinyanghuo A;(-)-5,7-Dihydroxy-2-[8-(2-hydroxy-3-methyl-3-butenyl)-2,2-dimethyl-2H-1-benzopyran-6-yl]-4H-1-benzopyran-4-one C25H24O6 420.15728 174391-72-1 knapsack NA NA +FL3FALNI0001 Brosimone I;(E)-(+)-3,8,10-Trihydroxy-9-(3-methyl-1-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one C25H24O6 420.15728 123064-86-8 knapsack NA NA +FL3FALNP0001 Morusin;Mulberrochromene;2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C25H24O6 420.15728 62596-29-6 knapsack NA NA +FL3FALNP0003 Brosimone G C25H24O6 420.15728 123064-84-6 knapsack NA NA +FL3FALNP0006 Kuwanon B C25H24O6 420.15728 62949-78-4 knapsack NA NA +FL3FALNP0007 Kuwanon A C25H24O6 420.15728 62949-77-3 knapsack NA NA +FL3FALNP0015 Australone A;2H,(-)-8-(2,4-Dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-6H-benzo[1,2-b:5,4-b']dipyran-6-one C25H24O6 420.15728 196705-71-2 knapsack NA NA +FL3FALNR0002 Cyclomulberrin C25H24O6 420.15728 19275-51-5 knapsack NA NA +FL3FALNR0004 Isocyclomulberrin;(+)-3,8,10-Trihydroxy-9-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one C25H24O6 420.15728 152186-79-3 knapsack NA NA +FL5F1CNP0002 Macaflavone I C25H24O6 420.15728 102848-03-3 knapsack NA NA +FL631CNC0003 Shanciol;trans-(-)-3,4,5,6-Tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-11-methoxy-2H-phenanthro[2,1-b]pyran-3,8-diol C25H24O6 420.15728 173294-75-2 knapsack NA NA +FLIAAAND0001 Ulexone C C25H24O6 420.15728 128988-22-7 knapsack NA NA +FLIAAAND0003 Ulexin D C25H24O6 420.15728 405304-96-3 knapsack NA NA +FLIAAANP0014 Euchrenone b8 C25H24O6 420.15728 130170-04-6 knapsack NA NA +FLIAAANP0016 Euchrenone b9 C25H24O6 420.15728 130170-05-7 knapsack NA NA +FLIAACNP0001 Pomiferin C25H24O6 420.15728 572-03-2 knapsack NA NA +FLIAACNP0003 Isoauriculasin C25H24O6 420.15728 60297-38-3 knapsack NA NA +FLIAACNP0004 Auriculasin;Cudraisoflavone A C25H24O6 420.15728 60297-37-2 knapsack NA NA +FLIAACNP0007 Gancaonin H;5,7,3'-Trihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',5']isoflavone C25H24O6 420.15728 126716-35-6 knapsack NA NA +FLIAALNP0007 Isoauriculatin C25H24O6 420.15728 30431-67-5 knapsack NA NA +FLIAALNP0008 Auriculatin C25H24O6 420.15728 20387-73-9 knapsack NA NA +FLIAALNP0015 Angustone B;5,7,2'-Trihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone C25H24O6 420.15728 100462-54-2 knapsack NA NA +FLIAALNP0017 Angustone C;5,2',4'-Trihydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavone C25H24O6 420.15728 107585-63-7 knapsack NA NA +FLIG1LNI0004 Lupinalbin F C25H24O6 420.15728 121747-93-1 knapsack NA NA +FLNFA9NP0001 Calophyllic acid C25H24O6 420.15728 11025-23-3 knapsack NA NA +MJ059250 5-Hydroxy-6-(4-hydroxy-3-methyl-1-oxobutyl)-2,2-dimethyl-10-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one C25H24O6 420.157288 NA MeJP NA NA +MJ059251 Auriculasin C25H24O6 420.157288 NA MeJP NA NA +MJ059252 Auriculatin C25H24O6 420.157288 NA MeJP NA NA +MJ059253 Australone A C25H24O6 420.157288 NA MeJP NA NA +MJ059254 Brosimone G C25H24O6 420.157288 NA MeJP NA NA +MJ059255 Brosimone I C25H24O6 420.157288 NA MeJP NA NA +MJ059256 Calophyllic acid C25H24O6 420.157288 NA MeJP NA NA +MJ059257 Chandalone; 2'-Hydroxy C25H24O6 420.157288 NA MeJP NA NA +MJ059258 Chitanone C25H24O6 420.157288 NA MeJP NA NA +MJ059259 Cudraflavone B C25H24O6 420.157288 NA MeJP NA NA +MJ059260 Cycloartocarpin; O-De-Me C25H24O6 420.157288 NA MeJP NA NA +MJ059261 Cyclomulberrin C25H24O6 420.157288 NA MeJP NA NA +MJ059262 Euchrenone b9 C25H24O6 420.157288 NA MeJP NA NA +MJ059263 Ficusin B C25H24O6 420.157288 NA MeJP NA NA +MJ059264 Gancaonin H C25H24O6 420.157288 NA MeJP NA NA +MJ059265 Glyasperin J; 2,3-Didehydro C25H24O6 420.157288 NA MeJP NA NA +MJ059266 Isoauriculasin C25H24O6 420.157288 NA MeJP NA NA +MJ059267 Isochandalone; 2''-Hydroxy, ?3''-isomer C25H24O6 420.157288 NA MeJP NA NA +MJ059268 Isochandalone; 2'-Hydroxy C25H24O6 420.157288 NA MeJP NA NA +MJ059269 Isopomiferin C25H24O6 420.157288 NA MeJP NA NA +MJ059270 Kuwanon A C25H24O6 420.157288 NA MeJP NA NA +MJ059271 Kuwanon B C25H24O6 420.157288 NA MeJP NA NA +MJ059272 Lemuninol B; 5-Me ether C25H24O6 420.157288 NA MeJP NA NA +MJ059273 Lespedezol A6 C25H24O6 420.157288 NA MeJP NA NA +MJ059274 Lespedezol C1 C25H24O6 420.157288 NA MeJP NA NA +MJ059275 Lupinalbin F C25H24O6 420.157288 NA MeJP NA NA +MJ059276 Lupinisoflavone K C25H24O6 420.157288 NA MeJP NA NA +MJ059277 Macaflavone I C25H24O6 420.157288 NA MeJP NA NA +MJ059278 Mammeigin; 4''-Hydroxy C25H24O6 420.157288 NA MeJP NA NA +MJ059279 Morusin C25H24O6 420.157288 NA MeJP NA NA +MJ059280 Parvisoflavone B; 4'-O-(3-Methyl-2-butenyl) C25H24O6 420.157288 NA MeJP NA NA +MJ059281 Pomiferin C25H24O6 420.157288 NA MeJP NA NA +MJ059282 Scandenone; 2''',3'''-Epoxide C25H24O6 420.157288 NA MeJP NA NA +MJ059283 Scandenone; ?3'''-Isomer, 2'''-hydroxy C25H24O6 420.157288 NA MeJP NA NA +MJ059284 Shanciol C25H24O6 420.157288 NA MeJP NA NA +MJ059285 Ulexone C C25H24O6 420.157288 NA MeJP NA NA +MJ059286 Yinyanghuo A C25H24O6 420.157288 NA MeJP NA NA +C10106 Morusin C25H24O6 420.1573 NA KEGG NA NA +C10519 Pomiferin C25H24O6 420.1573 NA KEGG NA NA +PJ001174 SSNN C14H24N6O9 420.1605 NA PeJP NA NA +C13334 Pitavastatin C25H23FNO4 420.1611 NA KEGG NA NA +C13335 Transferred to D01863 C25H23FNO4 420.1611 NA KEGG NA NA +C13336 Transferred to D01864 C25H23FNO4 420.1611 NA KEGG NA NA +C13337 Transferred to D01865 C25H23FNO4 420.1611 NA KEGG NA NA +C13338 Transferred to D01866 C25H23FNO4 420.1611 NA KEGG NA NA +C13339 Transferred to D01867 C25H23FNO4 420.1611 NA KEGG NA NA +C13340 Transferred to D01868 C25H23FNO4 420.1611 NA KEGG NA NA +C13341 Transferred to D01869 C25H23FNO4 420.1611 NA KEGG NA NA +MJ059287 1-(3,4,5-Trihydroxyphenyl)-1,2,3-propanetriol; 3',4',5'-Tri-Me ether, 3-O-?-D-glucopyranoside C18H28O11 420.163161 NA MeJP NA NA +MJ059288 Lamiol; 8-Ac C18H28O11 420.163161 NA MeJP NA NA +MJ059289 Phlomurin C18H28O11 420.163161 NA MeJP NA NA +C11645 Lamioside C18H28O11 420.1632 NA KEGG NA NA +PJ001175 SEW C19H24N4O7 420.1645 NA PeJP NA NA +PJ001176 AAEM C16H28N4O7S 420.1679 NA PeJP NA NA +MJ059290 N-[[1-Methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetyl]glycine; 2-Methoxyphenyl ester C24H24N2O5 420.168521 NA MeJP NA NA +MJ059291 Ascofuranol; Ketone C23H29ClO5 420.170351 NA MeJP NA NA +MJ059292 Tienoxolol C21H28N2O5S 420.171892 NA MeJP NA NA +7920 synthetic peptide QHH 420.174 antioxidative Inhouse_peptide NA peptide +C09428 Eupacunolin C22H28O8 420.1784 NA KEGG NA NA +C09429 Eupacunoxin C22H28O8 420.1784 NA KEGG NA NA +C09432 Eupaformosanin C22H28O8 420.1784 NA KEGG NA NA +C09439 Eupatocunoxin C22H28O8 420.1784 NA KEGG NA NA +C09475 Hiyodorilactone A C22H28O8 420.1784 NA KEGG NA NA +MJ059293 1,10-Epoxy-3,6,8-trihydroxy-7(11)-eremophilen-12,8-olide, 8-Angeloyl, 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059294 1,10-Epoxy-3,8,14-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl, 14-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059295 1,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl, 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059296 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059297 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl), 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059298 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl), 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059299 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl), 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059300 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(4-Hydroxy-2-methyl-2Z-butenoyl), 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059301 1,10-Epoxy-4,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(3-Methyl-2-butenoyl), 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059302 1,10-Epoxy-4,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-Angeloyl, 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059303 1,10-Epoxy-5,8-dihydroxy-4(15),11(13)-germacradien-12,6-olide, 3?-Acetoxy, 8-angeloyl C22H28O8 420.178417 NA MeJP NA NA +MJ059304 1,10-Epoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 14-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059305 1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-(3-Methyl-2-butenoyl), 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059306 1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-Angeloyl, 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059307 1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-Tigloyl, 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059308 1,3,8-Trihydroxy-4,9,11(13)-germacratrien-12,6-olide, 15-Hydroxy, 8-angeloyl, 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059309 1,3,8-Trihydroxy-4,9,11(13)-germacratrien-12,6-olide, 8-O-(2,3-Epoxy-2-methylbutanoyl), 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059310 1,3,8-Trihydroxy-4,9,11(13)-germacratrien-12,6-olide, 15-Hydroxy, 8-angeloyl, 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059311 1,3,8-Trihydroxy-4,9,11(13)-germacratrien-12,6-olide, 8-O-(2,3-Epoxy-2-methylbutanoyl), 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059312 1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-Angeloyl, 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059313 1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-Tigloyl, 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059314 1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(3-Methyl-2-butenoyl), 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059315 1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-Tigloyl, 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059316 1,4-Epoxy-8,10,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(3-Methyl-2-butenoyl), 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059317 1,4-Epoxy-8,10,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-Angeloyl, 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059318 1-(3,5-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane; 3,3'-Di-Me ether, 5-O-?-D-glucopyranoside C22H28O8 420.178417 NA MeJP NA NA +MJ059319 11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; 16-Acetoxy, 17-hydroxy C22H28O8 420.178417 NA MeJP NA NA +MJ059320 11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; enol-form, 17-Acetoxy, 16-hydroxy C22H28O8 420.178417 NA MeJP NA NA +MJ059321 15,16-Epoxy-1,2,7,12-tetrahydroxy-3,13(16),14-clerodatrien-18,19-olide, 7-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059322 15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8?,17-Epoxy, 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059323 15,16-Epoxy-6,7,18,19-tetrahydroxy-3,13(16),14-clerodatrien-20,12-olide, 19-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059324 2,3,8-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[2-(Acetoxymethyl)-2-butenoyl](Z-) C22H28O8 420.178417 NA MeJP NA NA +MJ059325 2,6,8-Trihydroxy-4-oxo-11(13)-pseudoguaien-12,9-olide, 6-Angeloyl, 8-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059326 3,10-Epoxy-8,9-dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl), 9-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059327 3,11,12,14-Tetrahydroxy-8,11,13-abietatriene-6,7-dione; 3?-enol-form, 16R-Hydroxy, 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059328 3,11,12,14-Tetrahydroxy-8,11,13-abietatriene-6,7-dione, 16-Hydroxy, 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059329 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether C22H28O8 420.178417 NA MeJP NA NA +MJ059330 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3',4',5,5'-Tetra-Me ether C22H28O8 420.178417 NA MeJP NA NA +MJ059331 3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5,5'-Tetra-Me ether C22H28O8 420.178417 NA MeJP NA NA +MJ059332 3,6-Epoxy-8,11-dihydroxy-10-oxo-3,5,12,15-cembratetraene-18,20-dioic acid, Di-Me ester C22H28O8 420.178417 NA MeJP NA NA +MJ059333 3,8,10-Trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl, 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059334 3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl), 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059335 3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl), 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059336 3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2-butenoyl)(E-) C22H28O8 420.178417 NA MeJP NA NA +MJ059337 3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-O-(2,3-Epoxy-2-methylbutanoyl), 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059338 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-4-hydroxy-2E-butenoyl) C22H28O8 420.178417 NA MeJP NA NA +MJ059339 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-2-hydroxymethyl-2E-butenoyl) C22H28O8 420.178417 NA MeJP NA NA +MJ059340 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl), 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059341 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2Z-butenoyl), 3-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059342 4,14-Epoxy-8,9,15-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylbutanoyl), 9-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059343 4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(4-Acetoxy-2-methyl-2E-butenoyl) C22H28O8 420.178417 NA MeJP NA NA +MJ059344 4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(4-Acetoxy-2-methyl-2Z-butenoyl) C22H28O8 420.178417 NA MeJP NA NA +MJ059345 4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2-Acetoxymethyl-2Z-butenoyl) C22H28O8 420.178417 NA MeJP NA NA +MJ059346 4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(4-Acetoxy-2-methyl-2Z-butenoyl) C22H28O8 420.178417 NA MeJP NA NA +MJ059347 4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-3,6,19,20-tetrol, 3-Ketone, 19-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059348 4,18:12,20:15,16-Triepoxy-7,19,20-trihydroxy-13(16),14-clerodadien-6-one, 19-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059349 4,18:13,16:19,20-Triepoxy-6,12,20-trihydroxy-13(16),14-clerodadien-7-one, 12-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059350 4,18:15,16-Diepoxy-2,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 19-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059351 4,18:15,16-Diepoxy-3,6,12-trihydroxy-13(16),14-clerodadien-20,19-olide, 6-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059352 4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 19-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059353 4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059354 4,5-Epoxy-8,10,13-trihydroxy-7-guaien-12,6-olide, 8-Angeloyl, 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059355 4,5-Epoxy-8,13-dihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(3-Methyl-2-butenoyl), 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059356 4,5-Epoxy-8,13-dihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-Angeloyl, 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059357 4,5-Epoxy-8,13-dihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-Tigloyl, 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059358 4,5-Epoxy-8,13-dihydroxy-14-oxo-1(10),7(11)-germacradien-12,6-olide, 8-(3-Methylbutanoyl), 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059359 4,8,13-Trihydroxy-1-oxo-5,7(11)-germacradien-12,6-olide, 8-(3-Methyl-2-butenoyl), 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059360 4,8,13-Trihydroxy-1-oxo-5,7(11)-germacradien-12,6-olide, 8-Angeloyl, 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059361 4,8,13-Trihydroxy-1-oxo-5,7(11)-germacradien-12,6-olide, 8-Tigloyl, 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059362 4,8,13-Trihydroxy-1-oxo-5,7(11)-germacradien-12,6-olide, 8-Angeloyl, 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059363 5,8,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-Angeloyl, 10-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059364 7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2R,3R-Epoxy-2-methylbutanoyl), 8-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059365 7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 9-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059366 7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2,3-Epoxy-2-methylbutanoyl), 8-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059367 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2Z-butenoyl), 15-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059368 8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2-butenoyl)(E-), 14-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059369 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3,4-Dihydroxy-2-methylenebutanoyl), 15-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059370 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-2-hydroxymethyl-2Z-butenoyl) C22H28O8 420.178417 NA MeJP NA NA +MJ059371 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-O-(4-Acetoxy-3-hydroxy-2-methylenebutanoyl) C22H28O8 420.178417 NA MeJP NA NA +MJ059372 8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, 8-(4-acetoxy-3-hydroxy-2-methylenebutanoyl) C22H28O8 420.178417 NA MeJP NA NA +MJ059373 8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-Angeloyl, 9-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059374 8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 9-Angeloyl, 8-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059375 8,9,13-Trihydroxy-1-oxo-4,7(11)-germacradien-12,6-olide, 8-Tigloyl, 13-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059376 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl), 9-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059377 9,13-Epoxy-8-hydroxy-7-oxo-15,16:19,6-labdanediolide, Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059378 Castaneiolide C22H28O8 420.178417 NA MeJP NA NA +MJ059379 Citreoviridinol A1 C22H28O8 420.178417 NA MeJP NA NA +MJ059380 Eremantholide B; 15-Acetoxy C22H28O8 420.178417 NA MeJP NA NA +MJ059381 Gracilin B C22H28O8 420.178417 NA MeJP NA NA +MJ059382 Isodonal; 6-Carboxylic acid C22H28O8 420.178417 NA MeJP NA NA +MJ059383 Lanugone F; 19-Formyloxy, 7-formyl C22H28O8 420.178417 NA MeJP NA NA +MJ059384 Nodosin; 19-Acetoxy C22H28O8 420.178417 NA MeJP NA NA +MJ059385 Teugnaphalodin; 12-Ac C22H28O8 420.178417 NA MeJP NA NA +MJ059386 Teuvincentin B C22H28O8 420.178417 NA MeJP NA NA +MJ059387 Trichorabdal D C22H28O8 420.178417 NA MeJP NA NA +MJ059388 Trichorabdal E C22H28O8 420.178417 NA MeJP NA NA +PJ001177 DMR C15H28N6O6S 420.1791 NA PeJP NA NA +3131 ester transferases inhibitor WRMWY 420.1812 MH2+ Inhouse_peptide NA peptide +PJ001178 CLW C20H28N4O4S 420.1831 NA PeJP NA NA +MJ059389 Bismurrayafoline A C28H24N2O2 420.183778 NA MeJP NA NA +MJ059390 Chrestifoline A C28H24N2O2 420.183778 NA MeJP NA NA +MJ059391 Murrafoline F C28H24N2O2 420.183778 NA MeJP NA NA +MJ059392 Murrastifoline A C28H24N2O2 420.183778 NA MeJP NA NA +MJ059393 Murrastifoline F C28H24N2O2 420.183778 NA MeJP NA NA +PJ001179 ATTE C16H28N4O9 420.1856 NA PeJP NA NA +7905 peptide from bovine b-lactoglobulin WYSLAMA 420.1862 MH2+ Inhouse_peptide NA peptide +PJ001180 QHH C17H24N8O5 420.187 NA PeJP NA NA +MJ059394 Trigevolol C21H28N2O7 420.189651 NA MeJP NA NA +FL2F1CNI0002 Ovaliflavanone D C26H28O5 420.19367 75680-30-7 knapsack NA NA +FL2FABNI0007 Burttinonedehydrate;(S)-5,7-Dihydroxy-4'-methoxy-3'-(3-methylbutadienyl)-5'-(3-methylbut-2-enyl)flavanone C26H28O5 420.19367 601470-33-1 knapsack NA NA +FLIAAANI0013 7-O-Methylisolupalbigenin C26H28O5 420.19367 405297-97-4 knapsack NA NA +FLIC1LNP0011 Nitidulan C26H28O5 420.19367 66446-91-1 knapsack NA NA +FLID1CNI0002 Nitiducol;4-Geranyl-3-hydroxy-8,9-methylenedioxypterocarpan C26H28O5 420.19367 66446-94-4 knapsack NA NA +FLIDBANP0003 Gangetin C26H28O5 420.19367 32986-79-1 knapsack NA NA +MJ059395 3',4',7-Trihydroxy-6,8-diprenylflavanone, 3',4'-Methylene ether C26H28O5 420.193674 NA MeJP NA NA +MJ059396 4',5,7-Trihydroxy-6,8-diprenylisoflavone; 5-Me ether C26H28O5 420.193674 NA MeJP NA NA +MJ059397 4',7-Dihydroxy-5-methoxyisoflavone; 4'-O-(3,7-Dimethyl-2,6-octadienyl)(E-) C26H28O5 420.193674 NA MeJP NA NA +MJ059398 7-Hydroxy-4'-methoxyisoflavone; 7-O-(8-Hydroxy-3,7-dimethyl-2,6-octadienyl)(2E,6Z) C26H28O5 420.193674 NA MeJP NA NA +MJ059399 Gangetin C26H28O5 420.193674 NA MeJP NA NA +MJ059400 Kanzonol F C26H28O5 420.193674 NA MeJP NA NA +MJ059401 Nitiducol C26H28O5 420.193674 NA MeJP NA NA +MJ059402 Nitidulan C26H28O5 420.193674 NA MeJP NA NA +C14636 9alpha-Fluoro-11beta,17alpha,21-trihydroxypregna-1,4-diene-3,20- C23H29FO6 420.1948 NA KEGG NA NA +MJ059403 Fluprednisolone; 21-Ac C23H29FO6 420.194816 NA MeJP NA NA +MJ059404 Isoflupredone; 21-Ac C23H29FO6 420.194816 NA MeJP NA NA +MJ059405 Ocaperidone C24H25FN4O2 420.196154 NA MeJP NA NA +MJ059406 Aucubigenin; 3?-Butoxy, 3,4-dihydro, 1-O-?-D-glucopyranoside C19H32O10 420.199547 NA MeJP NA NA +MJ059407 [[1-[2-[[4-[Amino(hydroxyimino)methyl]benzoyl]amino]-1-oxopropyl]-4-piperidinyl]oxy]acetic acid, Et ester C20H28N4O6 420.200884 NA MeJP NA NA +PJ001181 AAPY C20H28N4O6 420.2009 NA PeJP NA NA +PJ001182 GTLM C17H32N4O6S 420.2043 NA PeJP NA NA +MJ059408 Ircinia chlorohydrin 1 C24H33ClO4 420.206737 NA MeJP NA NA +7981 synthetic peptide HKH 420.21 antioxidative Inhouse_peptide NA peptide +7986 synthetic peptide KHH 420.21 inhibitor Inhouse_peptide NA peptide +PJ001183 APPH C19H28N6O5 420.2121 NA PeJP NA NA +MJ059409 1,5,7-Trihydroxy-17-vouacapanoic acid, 1-Ac, Me ester C23H32O7 420.214803 NA MeJP NA NA +MJ059410 2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 19-Me ether, 6-Ac C23H32O7 420.214803 NA MeJP NA NA +MJ059411 3,3',4,4',5,9,9'-Heptahydroxylignan, 3,3',4,4',5-Penta-Me ether C23H32O7 420.214803 NA MeJP NA NA +MJ059412 3,3',4,4',5,9,9'-Heptahydroxylignan, 3,3',4',9,9'-Penta-Me ether C23H32O7 420.214803 NA MeJP NA NA +MJ059413 3,5,11,14-Tetrahydroxy-19-oxocard-20(22)-enolide C23H32O7 420.214803 NA MeJP NA NA +MJ059414 3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide C23H32O7 420.214803 NA MeJP NA NA +MJ059415 5,6,8,14-Protoilludanetetrol, 5-(2,4-Dihydroxy-6-methylbenzoyl) C23H32O7 420.214803 NA MeJP NA NA +MJ059416 6,7,12,16-Tetrahydroxy-8,12-abietadiene-11,14-dione, 7-Me ether, 16-Ac C23H32O7 420.214803 NA MeJP NA NA +MJ059417 9,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14,15-Bis(2-methylpropanoyl) C23H32O7 420.214803 NA MeJP NA NA +MJ059418 Antiarigenin C23H32O7 420.214803 NA MeJP NA NA +MJ059419 Antibiotic L 731120 C23H32O7 420.214803 NA MeJP NA NA +MJ059420 Antibiotic SI 4228C C23H32O7 420.214803 NA MeJP NA NA +MJ059421 Nodosin; 15?-Alcohol, O6-Me, 15-Ac C23H32O7 420.214803 NA MeJP NA NA +MJ059422 Strophanthidinic acid C23H32O7 420.214803 NA MeJP NA NA +MJ059423 Trichoverrol A C23H32O7 420.214803 NA MeJP NA NA +7578 ACE inhibitor WSVPQPK 420.2175 MH2+ Inhouse_peptide NA peptide +7897 peptide from human milk b-casein (154-160) WSVPQPK 420.2175 MH2+ Inhouse_peptide NA peptide +MJ059424 Cabastine C26H29FN2O2 420.221306 NA MeJP NA NA +PJ001184 STTL C17H32N4O8 420.222 NA PeJP NA NA +PJ001185 KHH C18H28N8O4 420.2234 NA PeJP NA NA +MJ059425 Hexoprenaline C22H32N2O6 420.226036 NA MeJP NA NA +MJ059426 Brifentanil C20H29FN6O3 420.228517 NA MeJP NA NA +MJ059427 Lincomycin; N-De-Me, N-Et C19H36N2O6S 420.229407 NA MeJP NA NA +MJ059428 Lincomycin; S-De-Me, S-Et C19H36N2O6S 420.229407 NA MeJP NA NA +MJ059429 3-[1-(2-Carboxy-1-methylethenyl)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5-hexatrienyl]benzoic acid C27H32O4 420.230059 NA MeJP NA NA +MJ059430 4',7-Dihydroxyflavanone, 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C27H32O4 420.230059 NA MeJP NA NA +MJ059431 Clusiaparalicoline B C27H32O4 420.230059 NA MeJP NA NA +MJ059432 Crinatusins; Crinatusin B1 C27H32O4 420.230059 NA MeJP NA NA +MJ059433 Crinatusins; Crinatusin B2 C27H32O4 420.230059 NA MeJP NA NA +MJ059434 Kazinol L C27H32O4 420.230059 NA MeJP NA NA +MJ059435 Pirepolol C21H32N4O5 420.23727 NA MeJP NA NA +PJ001186 AALF C21H32N4O5 420.2373 NA PeJP NA NA +MJ059436 Clostebol; Hexanoyl C25H37ClO3 420.243122 NA MeJP NA NA +PJ001187 VFR C20H32N6O4 420.2485 NA PeJP NA NA +MJ059437 1(15),8(19)-Trinervitadiene-2,3,9,20-tetrol, 9,20-Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059438 1(15),8-Dolastadiene-4,7,10,14-tetrol, 7,10-Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059439 11,12-Epoxy-15,16-spongianediol, Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059440 11,16:15,16-Diepoxy-4(18)-clerodene-6,19-diol, Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059441 12,13:15,16-Diepoxy-3-clerodene-15,16-diol, Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059442 15,16-Epoxy-4(18),11-clerodadiene-13,15,16-triol, 15,16-Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059443 15,16-Epoxy-4(18),12-clerodadiene-14,15,16-triol, 15,16-Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059444 15,17-Epoxy-6,17-dihydroxy-16-spongianone, 6-Butanoyl C24H36O6 420.251188 NA MeJP NA NA +MJ059445 15,17-Epoxy-7,17-dihydroxy-16-spongianone, 7-Butanoyl C24H36O6 420.251188 NA MeJP NA NA +MJ059446 16,17,19-Kauranetriol, 19-Carboxylic acid, 16,17-di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059447 16,17,19-Trihydroxy-3-phyllocladanone; 16?-form, 17,19-Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059448 16,19-Dihydroxy-8(17),13-labdadien-15-oic acid, Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059449 16-Kaurene-3,12,15,19-tetrol, 3,19-Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059450 16-Kaurene-3,6,11,15-tetrol, 3,6-Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059451 16-Kaurene-3,7,15,18-tetrol, 15,18-Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059452 16-Kaurene-3,7,15,18-tetrol, 7,18-Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059453 18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 6-Deoxy, 3,4-dihydro, 18,19-di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059454 2,3-Dihydroxy-7,13-labdadien-15-oic acid, Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059455 2,4-Dihydroxy-6-(8-pentadecenyl)benzoic acid, 10'-Acetoxy C24H36O6 420.251188 NA MeJP NA NA +MJ059456 2,5-Dihydroxy-10-oxo-4,10-seco-13(15),17-spatadien-12-al, 12-Alcohol, 2,5-di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059457 2,9:3,16-Diepoxy-6-asbestinene-4,11-diol, Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059458 2,9:3,16-Diepoxy-7-asbestinene-6,11-diol, Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059459 3,10(18),14-Prenylguaiatriene-6,9,12,13-tetrol, 12,13-Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059460 3-Methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioic acid; Di-Me ester C24H36O6 420.251188 NA MeJP NA NA +MJ059461 4(20),11-Taxadiene-2,5,10,14-tetrol, 2,5-Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059462 4(20),11-Taxadiene-5,9,10,13-tetrol, 9,10-Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059463 6,13-Epoxy-4,12-dihydroxy-7-eunicellen-9-one, Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059464 6,13-Epoxy-4,9-dihydroxy-8(19)-eunicellen-16,12-olide, 4-Butanoyl C24H36O6 420.251188 NA MeJP NA NA +MJ059465 6,13-Epoxy-8(19)-eunicellene-4,9,12-triol, 9-Ketone, di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059466 6,7-Dihydroxy-3,13-clerodadien-15-oic acid, 6,7-Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059467 7,17-Dihydroxy-16-spongianone; 7?-form, Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059468 8,13,16-Trihydroxy-5-neoverrucosanone, 8,16-Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059469 8,13-Epoxy-14-labdene-3,6,7-triol, 7-Ketone, 3,6-di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059470 Deoxynortrichoharzin C24H36O6 420.251188 NA MeJP NA NA +MJ059471 Fukinolidiol; 1-(2-Methylbutanoyl), 9-(2-methylpropanoyl) C24H36O6 420.251188 NA MeJP NA NA +MJ059472 Fukinolidiol; 1-(3-Methylbutanoyl), 9-(2-methylpropanoyl) C24H36O6 420.251188 NA MeJP NA NA +MJ059473 Fukinolidiol; 9-(3-Methylbutanoyl), 1-(2-methylpropanoyl) C24H36O6 420.251188 NA MeJP NA NA +MJ059474 Macrolactinic acid C24H36O6 420.251188 NA MeJP NA NA +MJ059475 Mevinolin; 3'-Hydroxy C24H36O6 420.251188 NA MeJP NA NA +MJ059476 Phlebiachrysoic acid C; 15',16'-Dihydro C24H36O6 420.251188 NA MeJP NA NA +MJ059477 Phlebiachrysoic acid C; 8',9'-Dihydro C24H36O6 420.251188 NA MeJP NA NA +MJ059478 Polyrhaphin A C24H36O6 420.251188 NA MeJP NA NA +MJ059479 Shahamin E; Di-Ac C24H36O6 420.251188 NA MeJP NA NA +MJ059480 Shahamin K C24H36O6 420.251188 NA MeJP NA NA +MJ059481 Tyrinnal C24H36O6 420.251188 NA MeJP NA NA +MJ059482 Pipebuzone C25H32N4O2 420.252526 NA MeJP NA NA +MJ059483 Pipradimadol C24H37ClN2O2 420.254356 NA MeJP NA NA +HMDB07004 CPA(18:0/0:0) C21H41O6P 420.264069 NA HMDB2010 NA NA +C08638 Tingenone C28H36O3 420.2664 NA KEGG NA NA +C14667 Testosterone phenylpropionate C28H36O3 420.2664 NA KEGG NA NA +MJ059484 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-(Phenylpropanoyl) C28H36O3 420.266445 NA MeJP NA NA +MJ059485 3,28-Dihydroxy-24,30-dinor-1(10),3,5,7,20(29)-friedelapentaen-2-one C28H36O3 420.266445 NA MeJP NA NA +MJ059486 3-Hydroxy-24,30-dinor-1(10),3,5,20(29)-friedelatetraene-2,7-dione C28H36O3 420.266445 NA MeJP NA NA +MJ059487 Balaenol C28H36O3 420.266445 NA MeJP NA NA +MJ059488 Iguesterin; 16?-Hydroxy C28H36O3 420.266445 NA MeJP NA NA +MJ059489 Iguesterin; 7,8-Dihydro, 7-oxo C28H36O3 420.266445 NA MeJP NA NA +MJ059490 Isotingenone III C28H36O3 420.266445 NA MeJP NA NA +MJ059491 Russulaflavidin C28H36O3 420.266445 NA MeJP NA NA +MJ059492 Tingenin A C28H36O3 420.266445 NA MeJP NA NA +MJ059493 Cyclo(leucylprolylleucylprolyl) C22H36N4O4 420.273655 NA MeJP NA NA +MJ059494 Fenestin A C22H36N4O4 420.273655 NA MeJP NA NA +MJ059495 11-Isocopalen-15-oic acid, (2-Acetoxy-3-hydroxypropyl) ester C25H40O5 420.287574 NA MeJP NA NA +MJ059496 11-Isocopalen-15-oic acid, (3-Acetoxy-2-hydroxypropyl) ester C25H40O5 420.287574 NA MeJP NA NA +MJ059497 12-Isocopalen-15-oic acid, (2-Acetoxy-3-hydroxypropyl) ester C25H40O5 420.287574 NA MeJP NA NA +MJ059498 12-Isocopalen-15-oic acid, (3-Acetoxy-2-hydroxypropyl) ester C25H40O5 420.287574 NA MeJP NA NA +MJ059499 12-Isocopalen-15-oic acid; 14à H-form, (2-Acetoxy-3-hydroxypropyl) ester C25H40O5 420.287574 NA MeJP NA NA +MJ059500 12-Isocopalen-15-oic acid; 14à H-form, (3-Acetoxy-2-hydroxypropyl) ester C25H40O5 420.287574 NA MeJP NA NA +MJ059501 13(16)-Isocopalen-15-oic acid, 2-Acetoxy-3-hydroxypropyl ester C25H40O5 420.287574 NA MeJP NA NA +MJ059502 13(16)-Isocopalen-15-oic acid, 3-Acetoxy-2-hydroxypropyl ester C25H40O5 420.287574 NA MeJP NA NA +MJ059503 16,17,19-Kauranetriol, 19-Carboxylic acid, 17-O-(3-methylbutanoyl) C25H40O5 420.287574 NA MeJP NA NA +MJ059504 2,6,10,14-Phytatetraen-1-ol, 1-Carboxylic acid, 3-acetoxy-2-hydroxypropyl ester (S-) C25H40O5 420.287574 NA MeJP NA NA +MJ059505 20(10?9)-Abeo-4,5-seco-3,5(10)-isocopaladien-15-oic acid, (2-Acetoxy-3-hydroxypropyl)ester (S-) C25H40O5 420.287574 NA MeJP NA NA +MJ059506 20(10?9)-Abeo-4,5-seco-3,5(10)-isocopaladien-15-oic acid, (3-Acetoxy-2-hydroxypropyl)ester (S-) C25H40O5 420.287574 NA MeJP NA NA +MJ059507 20(10?9)-Abeo-5-isocopalen-15-oic acid; (2-Acetoxy-3-hydroxypropyl) ester C25H40O5 420.287574 NA MeJP NA NA +MJ059508 20(10?9)-Abeo-5-isocopalen-15-oic acid; (3-Acetoxy-2-hydroxypropyl) ester C25H40O5 420.287574 NA MeJP NA NA +MJ059509 7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-angeloyl C25H40O5 420.287574 NA MeJP NA NA +MJ059510 8(17),13-Labdadien-15-ol, 15-Carboxylic acid, (3-acetoxy-2S-hydroxypropyl) ester C25H40O5 420.287574 NA MeJP NA NA +MJ059511 8,10,13(15),16-Lobatetraen-18-ol; O-?-D-Arabinopyranosyl C25H40O5 420.287574 NA MeJP NA NA +MJ059512 8,13-Epoxy-18-hydroxy-15-labdanoic acid, O-(3-Methyl-2-butenoyl) C25H40O5 420.287574 NA MeJP NA NA +MJ059513 8,13-Epoxy-18-hydroxy-15-labdanoic acid, O-Angeloyl C25H40O5 420.287574 NA MeJP NA NA +MJ059514 9,13-Epoxy-17-hydroxy-7-labden-15-oic acid, 2-Methylbutanoyl C25H40O5 420.287574 NA MeJP NA NA +MJ059515 9,13-Epoxy-17-hydroxy-7-labden-15-oic acid, 3-Methylbutanoyl C25H40O5 420.287574 NA MeJP NA NA +MJ059516 9,13-Epoxy-18-hydroxy-7-labden-15-oic acid, 18-(2-Methylbutanoyl) C25H40O5 420.287574 NA MeJP NA NA +MJ059517 9,13-Epoxy-18-hydroxy-7-labden-15-oic acid, 18-(3-Methylbutanoyl) C25H40O5 420.287574 NA MeJP NA NA +MJ059518 Diacarnoic acid B; Me ester C25H40O5 420.287574 NA MeJP NA NA +MJ059519 Pregnane-2,3,16,20-tetrol, 20-(2-Methylpropenoyl) C25H40O5 420.287574 NA MeJP NA NA +MJ059520 Verrucosin 2 C25H40O5 420.287574 NA MeJP NA NA +MJ059521 3-Hydroxy-28-nor-11,13(18),17(22)-oleanatrien-21-one; 3?-form, 3-Ketone C29H40O2 420.30283 NA MeJP NA NA +MJ059522 5-Methylene-3-(6,9,12,15,18,21-tetracosahexaenyl)-2(5H)-furanone C29H40O2 420.30283 NA MeJP NA NA +MJ059523 13,17,19-Villanovanetriol, 19-O-(3-Methylpentanoyl) C26H44O4 420.323959 NA MeJP NA NA +C15636 6-Ethylchenodeoxycholic acid C26H44O4 420.324 NA KEGG NA NA +MJ059524 23,29-Imino-B(9a)-homo-19-norstigmasta-1(10),7,9(11),23(N)-tetraen-3-amine C29H44N2 420.350449 NA MeJP NA NA +C05425 3beta,5alpha,6beta-Cholestanetriol C27H48O3 420.3603 NA KEGG NA NA +C05426 RING C27H48O3 420.3603 NA KEGG NA NA +C05444 3alpha,7alpha,26-Trihydroxy-5beta-cholestane C27H48O3 420.3603 NA KEGG NA NA +C05454 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane C27H48O3 420.3603 NA KEGG NA NA +MJ059525 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane C27H48O3 420.360345 NA MeJP NA NA +MJ059526 3alpha,7alpha,26-Trihydroxy-5beta-cholestane C27H48O3 420.360345 NA MeJP NA NA +MJ059527 3beta,5alpha,6beta-Cholestanetriol C27H48O3 420.360345 NA MeJP NA NA +MJ059528 Cholestane-2,3,6-triol C27H48O3 420.360345 NA MeJP NA NA +MJ059529 Cholestane-3,5,6-triol C27H48O3 420.360345 NA MeJP NA NA +MJ059530 Cholestane-3,6,14-triol C27H48O3 420.360345 NA MeJP NA NA +MJ059531 Cholestane-3,7,12-triol C27H48O3 420.360345 NA MeJP NA NA +MJ059532 Cholestane-3,7,24-triol C27H48O3 420.360345 NA MeJP NA NA +MJ059533 Cholestane-3,7,25-triol C27H48O3 420.360345 NA MeJP NA NA +MJ059534 Cholestane-3,7,26-triol C27H48O3 420.360345 NA MeJP NA NA +MJ059535 Hipposterol C27H48O3 420.360345 NA MeJP NA NA +MetaCyc03483 5-β-cholestane-3α,7α,12α-triol [] C27H48O3 420.360345 NA metacyc NA NA +HMDB01457 5-b-Cholestane-3a ,7a ,12a-triol C27H48O3 420.36035 http://www.hmdb.ca/metabolites/HMDB01457 HMDB NA NA +HMDB03990 3beta,5alpha,6beta-Cholestanetriol C27H48O3 420.36035 http://www.hmdb.ca/metabolites/HMDB03990 HMDB NA NA +HMDB01457 5-b-Cholestane-3a ,7a ,12a-triol C27H48O3 420.36035 HMDB01457 PFEM_hmdb_metabocards_official NA NA +HMDB03990 3beta,5alpha,6beta-Cholestanetriol C27H48O3 420.36035 HMDB03990 PFEM_hmdb_metabocards_official NA NA +HMDB01457 5-b-Cholestane-3a ,7a ,12a-triol C27H48O3 420.360352 NA HMDB2010 NA NA +HMDB03990 3b,5a,6b-Cholestanetriol C27H48O3 420.360352 NA HMDB2010 NA NA +HMDB12455 3 alpha,7 alpha,26-Trihydroxy-5beta-cholestane C27H48O3 420.360352 NA HMDB2010 NA NA +MJ059536 17,21-Octacosadienoic acid C28H52O2 420.39673 NA MeJP NA NA +MJ059537 25-Methyl-5,9-heptacosadienoic acid C28H52O2 420.39673 NA MeJP NA NA +MJ059538 26-Methyl-5,9-heptacosadienoic acid C28H52O2 420.39673 NA MeJP NA NA +MJ059539 Iopydol C8H9I2NO3 420.867179 NA MeJP NA NA +MJ059540 Bendroflumethiazide C15H14F3N3O4S2 421.037781 NA MeJP NA NA +C07758 Bendroflumethiazide C15H14F3N3O4S2 421.0378 NA KEGG NA NA +C14126 Ro 61-8048 C17H15N3O6S2 421.0402 NA KEGG NA NA +MJ059541 3,4-Dimethoxy-N-[4-(3-nitrophenyl)-2-thiazolyl]benzenesulfonamide C17H15N3O6S2 421.040226 NA MeJP NA NA +MJ059542 4-(Methylthio)butyl glucosinolate C12H23NO9S3 421.053493 NA MeJP NA NA +C08409 Glucoerucin C12H23NO9S3 421.0535 NA KEGG NA NA +MJ059543 5-[2-[[2-(3-Chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid C20H20ClNO7 421.092829 NA MeJP NA NA +MJ059544 Erysothiovine C20H23NO7S 421.119522 NA MeJP NA NA +MJ059545 Methylbenactyzium(1+); Bromide C21H28BrNO3 421.125256 NA MeJP NA NA +PJ001188 GCNE C14H23N5O8S 421.1268 NA PeJP NA NA +MJ059546 2,4-Dihydroxy-3-methylenebutanoic acid, Nitrile, 5-(4-hydroxycinnamoyl), 2-O-?-D-glucopyranoside C20H23NO9 421.137281 NA MeJP NA NA +MJ059547 4-Hydroxy-3-hydroxymethyl-2-butenoic acid; Nitrile(E-), O-(4-hydroxy-E-cinnamoyl), O-?-D-glucopyranoside C20H23NO9 421.137281 NA MeJP NA NA +MJ059548 Jatropham, O-(6-O-p-Hydroxycinnamoyl-?-D-glucopyranoside) C20H23NO9 421.137281 NA MeJP NA NA +PJ001189 CNW C18H23N5O5S 421.142 NA PeJP NA NA +MJ059549 Coelenterazine; 1'',7-Didehydro C26H19N3O3 421.142641 NA MeJP NA NA +MJ059550 Ftormetazine C21H22F3N3OS 421.143567 NA MeJP NA NA +PJ001190 SSND C14H23N5O10 421.1445 NA PeJP NA NA +MJ059551 Flubepride C20H24FN3O4S 421.147155 NA MeJP NA NA +MJ059552 Mosapride C21H25ClFN3O3 421.156847 NA MeJP NA NA +7907 synthetic peptide HEH 421.158 antioxidative Inhouse_peptide NA peptide +7979 synthetic peptide EHH 421.158 antioxidative Inhouse_peptide NA peptide +PJ001191 GSQM C15H27N5O7S 421.1631 NA PeJP NA NA +MJ059553 Topotecan C23H23N3O5 421.16377 NA MeJP NA NA +C11158 Topotecan C23H23N3O5 421.1638 NA KEGG NA NA +MJ059554 Utibaprilat C20H27N3O5S 421.167141 NA MeJP NA NA +MJ059555 Cypothrin C28H23NO3 421.167793 NA MeJP NA NA +MJ059556 Itavastatin C25H24FNO4 421.168936 NA MeJP NA NA +PJ001192 EHH C17H23N7O6 421.171 NA PeJP NA NA +PJ001193 GSCR C14H27N7O6S 421.1744 NA PeJP NA NA +MJ059557 Clomifene; N-Oxide C26H28ClNO2 421.180856 NA MeJP NA NA +PJ001194 SSTQ C15H27N5O9 421.1809 NA PeJP NA NA +MJ059558 Karakoramine C25H27NO5 421.188922 NA MeJP NA NA +MJ059559 Verticillatine C25H27NO5 421.188922 NA MeJP NA NA +MJ059560 Vertine, 5-Epimer, O23-De-Me C25H27NO5 421.188922 NA MeJP NA NA +MJ059561 Vertine, O23-De-Me C25H27NO5 421.188922 NA MeJP NA NA +MJ059562 Gerambullin; 1-Hydroxy C22H31NO5S 421.192293 NA MeJP NA NA +MJ059563 Gerambullin; 12-Hydroxy C22H31NO5S 421.192293 NA MeJP NA NA +MJ059564 Gerambullin; 8'-Hydroxy C22H31NO5S 421.192293 NA MeJP NA NA +PJ001195 QQF C19H27N5O6 421.1961 NA PeJP NA NA +PJ001196 GAQF C19H27N5O6 421.1962 NA PeJP NA NA +3707 NA YPFGFRG 421.197 MH2+ Inhouse_peptide NA peptide +PJ001197 GSKM C16H31N5O6S 421.1995 NA PeJP NA NA +MJ059565 2-[[3-[[[(Phenylamino)carbonyl]hydrazono]methyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]benzenepropanoic acid C24H27N3O4 421.200156 NA MeJP NA NA +C11098 Fenpyroximate C24H27N3O4 421.2002 NA KEGG NA NA +C11099 Transferred to D01042 C24H27N3O4 421.2002 NA KEGG NA NA +MJ059566 Delboxine; 14-Demethoxy, 14-oxo, 8-O-de-Me C22H31NO7 421.210052 NA MeJP NA NA +MJ059567 Sufotidine C20H31N5O3S 421.21476 NA MeJP NA NA +PJ001198 SSTK C16H31N5O8 421.2173 NA PeJP NA NA +C12332 Militarinone D C26H31NO4 421.2253 NA KEGG NA NA +C12340 Ancistrotectorine C26H31NO4 421.2253 NA KEGG NA NA +MJ059568 Ancistrobrevine B; 6-Me ether C26H31NO4 421.225308 NA MeJP NA NA +MJ059569 Ancistrobrevine B; Atropisomer, 1-epimer, 6-Me ether C26H31NO4 421.225308 NA MeJP NA NA +MJ059570 Ancistrobrevine B; Atropisomer, N-Me C26H31NO4 421.225308 NA MeJP NA NA +MJ059571 Ancistrocladine; 1- And/or 3-epimer, Me ether C26H31NO4 421.225308 NA MeJP NA NA +MJ059572 Ancistrocladine; 1-Epimer, N-Me C26H31NO4 421.225308 NA MeJP NA NA +MJ059573 Ancistrocladine; Atropisomer, 1-epimer, Me ether C26H31NO4 421.225308 NA MeJP NA NA +MJ059574 Ancistrocladine; Me ether C26H31NO4 421.225308 NA MeJP NA NA +MJ059575 Ancistrotectorine C26H31NO4 421.225308 NA MeJP NA NA +MJ059576 Antibiotic TMC 69 C26H31NO4 421.225308 NA MeJP NA NA +MJ059577 Lythrumine C26H31NO4 421.225308 NA MeJP NA NA +EUR480 Leukotriene E4 F2 F2 421.227625 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR480 Leukotriene E4 F2 NA 421.227625 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR480 Leukotriene E4 F2 F2 421.227625 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR480 Leukotriene E4 F2 NA 421.227625 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR480 Leukotriene E4 F2 F2 421.227625 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR480 Leukotriene E4 F2 NA 421.227625 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR480 Leukotriene E4 F2 F2 421.227625 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR480 Leukotriene E4 F2 F2 421.227625 standards wishlist analysés sur QTOF HMDB NA NA +EUR480 Leukotriene E4 F2 F2 421.227625 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR480 Leukotriene E4 F2 NA 421.227625 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR480 Leukotriene E4 F2 F2 421.227625 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR480 Leukotriene E4 F2 F2 421.227625 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ001199 QKF C20H31N5O5 421.2325 NA PeJP NA NA +MJ059578 Antibiotic 610MF C25H31N3O3 421.236541 NA MeJP NA NA +MJ059579 Celacinnine, 3S-Hydroxy C25H31N3O3 421.236541 NA MeJP NA NA +MJ059580 Pleurostyline; 7'-Hydroxy, 7',8'-dihydro C25H31N3O3 421.236541 NA MeJP NA NA +MJ059581 Mopidamol C19H31N7O4 421.243752 NA MeJP NA NA +MJ059582 Threonylarginylphenylalaninamide; L-L-L-form C19H31N7O4 421.243752 NA MeJP NA NA +MJ059583 Acoseptrine; 10-Deoxy, 6-ketone C23H35NO6 421.246437 NA MeJP NA NA +MJ059584 Delpheline; O1,O14-Di-de-Me C23H35NO6 421.246437 NA MeJP NA NA +MJ059585 Gadesine C23H35NO6 421.246437 NA MeJP NA NA +MJ059586 Kiritine C23H35NO6 421.246437 NA MeJP NA NA +MJ059587 Neoline; O16-De-Me, 16-ketone C23H35NO6 421.246437 NA MeJP NA NA +MJ059588 Nevadensine C23H35NO6 421.246437 NA MeJP NA NA +MJ059589 Nudicaulamine; O1,O18-Di-de-Me C23H35NO6 421.246437 NA MeJP NA NA +MJ059590 Tatsidine C23H35NO6 421.246437 NA MeJP NA NA +MJ059591 Toddaliamide; 3''-Me ether C23H35NO6 421.246437 NA MeJP NA NA +MJ059592 Tongolenine C C23H35NO6 421.246437 NA MeJP NA NA +MJ059593 Otenzepad C24H31N5O2 421.247775 NA MeJP NA NA +7863 peptide from prawn muscle (Penaeus japonicus) FKK 421.256 ACE inhibitor Inhouse_peptide NA peptide +MJ059594 Paxilline; 3?-Alcohol, 4b-deoxy C27H35NO3 421.261693 NA MeJP NA NA +MJ059595 Terpendole D; 3-Deoxy, 27-de-O-(3-methyl-2-butenyl) C27H35NO3 421.261693 NA MeJP NA NA +MJ059596 Ussuriedine; 6-Ketone C27H35NO3 421.261693 NA MeJP NA NA +PJ001200 KKF C21H35N5O4 421.2689 NA PeJP NA NA +MJ059597 Mazapertine C26H35N3O2 421.272927 NA MeJP NA NA +C08713 Talatizamine C24H39NO5 421.2828 NA KEGG NA NA +MJ059598 Bicolorine; 6-Epimer, O1,O6-di-Me C24H39NO5 421.282823 NA MeJP NA NA +MJ059599 Bicolorine; O1,O8-Di-Me C24H39NO5 421.282823 NA MeJP NA NA +MJ059600 Cassaine; 19-Hydroxy C24H39NO5 421.282823 NA MeJP NA NA +MJ059601 Norcassamidide C24H39NO5 421.282823 NA MeJP NA NA +MJ059602 Norcassamidine C24H39NO5 421.282823 NA MeJP NA NA +MJ059603 Talatizamine C24H39NO5 421.282823 NA MeJP NA NA +MJ059604 20-Hydroxyisoaflavinine C28H39NO2 421.298079 NA MeJP NA NA +MJ059605 24,25-Dehydro-10,11-dihydroaflavinine; 20?-Hydroxy C28H39NO2 421.298079 NA MeJP NA NA +MJ059606 24,25-Dehydro-10,11-dihydroaflavinine; 20?-Hydroxy C28H39NO2 421.298079 NA MeJP NA NA +MJ059607 Aflavinine; 10,11-Dihydro, 11,12-didehydro, 20?-hydroxy C28H39NO2 421.298079 NA MeJP NA NA +MJ059608 Aflavinine; 20?-Hydroxy C28H39NO2 421.298079 NA MeJP NA NA +MJ059609 Aspernomine C28H39NO2 421.298079 NA MeJP NA NA +MJ059610 Emindole DB C28H39NO2 421.298079 NA MeJP NA NA +MJ059611 Paspaline C28H39NO2 421.298079 NA MeJP NA NA +MJ059612 Radarin B; 7'-Ketone C28H39NO2 421.298079 NA MeJP NA NA +MJ059613 Calicogorgin C C25H43NO4 421.319208 NA MeJP NA NA +HMDB06318 Gamma-linolenyl carnitine C25H43NO4 421.319214 NA HMDB2010 NA NA +HMDB06319 Alpha-linolenyl carnitine C25H43NO4 421.319214 NA HMDB2010 NA NA +MJ059614 Agelasine C26H40N5(+) 421.320546 NA MeJP NA NA +MJ059615 Ageline A C26H40N5(+) 421.320546 NA MeJP NA NA +MJ059616 7-[3-[(2-Hydroxydecyl)amino]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-5-heptenoic acid C26H47NO3 421.355594 NA MeJP NA NA +MJ059617 Tetrabromo-1,4-benzenediol C6H2Br4O2 421.678829 NA MeJP NA NA +MJ059618 Triiodoacetaldehyde C2HI3O 421.716144 NA MeJP NA NA +C18103 1,2,3,4,6,7,8-Heptachlorodibenzodioxin C12HCl7O2 421.7796 NA KEGG NA NA +MJ059619 2,3-Dibromo-4-(3-bromo-2-nitrophenyl)-1H-pyrrole C10H5Br3N2O2 421.790115 NA MeJP NA NA +MJ059620 2,3-Dibromo-4-(5-bromo-2-nitrophenyl)-1H-pyrrole C10H5Br3N2O2 421.790115 NA MeJP NA NA +MJ059621 2,5,6-Tribromo-N-methylgramine C12H13Br3N2 421.862886 NA MeJP NA NA +C16860 2,5,6-Tribromo-1-methylgramine C12H13Br3N2 421.8629 NA KEGG NA NA +MJ059622 Benzbromarone C17H12Br2O3 421.915319 NA MeJP NA NA +MJ059623 Diploicin C16H10Cl4O5 421.928234 NA MeJP NA NA +MJ059624 Obtusallene I C15H17Br2ClO2 421.928382 NA MeJP NA NA +MJ059625 Dysamide A; 3''-Dechloro, 1',3-didehydro(E-) C14H19Cl5N2O2 421.988916 NA MeJP NA NA +MJ059626 Dysamide A; 3''-Dechloro, 1',3-didehydro(Z-) C14H19Cl5N2O2 421.988916 NA MeJP NA NA +MJ059627 Dysamide A; 3'-Dechloro, 1',3-didehydro C14H19Cl5N2O2 421.988916 NA MeJP NA NA +MJ059628 Bermudenynol; Ac C17H21BrCl2O3 422.005112 NA MeJP NA NA +C11727 Chloramphenicol succinate C15H16Cl2N2O8 422.0284 NA KEGG NA NA +MJ059629 Omoconazole C20H17Cl3N2O2 422.03556 NA MeJP NA NA +MJ059630 Carpetimycin A; O-Sulfate C14H18N2O9S2 422.045371 NA MeJP NA NA +MJ059631 1-O-p-Coumaroylglucose; ?-D-form, 3'-Hydroxy, 6-O-sulfate C15H18O12S 422.051896 NA MeJP NA NA +C13967 Carbenicillin sodium C17H16N2O6S 422.0524 NA KEGG NA NA +MJ059632 Cycloleucomelone; 2,8-Di-Ac C22H14O9 422.063782 NA MeJP NA NA +MJ059633 Preussomerin A; 3'?-Acetoxy, 2',3'-dihydro, 1,1'-diketone C22H14O9 422.063782 NA MeJP NA NA +MJ059634 ?,?-Trehalose; 2-Sulfate C12H22O14S 422.073026 NA MeJP NA NA +C00689 alpha,alpha'-Trehalose 6-phosphate C12H23O14P 422.0825 NA KEGG NA NA +C02591 Sucrose 6-phosphate C12H23O14P 422.0825 NA KEGG NA NA +C02995 Maltose 6'-phosphate C12H23O14P 422.0825 NA KEGG NA NA +C04534 6-Phospho-beta-D-glucosyl-(1,4)-D-glucose C12H23O14P 422.0825 NA KEGG NA NA +C05396 Lactose 6-phosphate C12H23O14P 422.0825 NA KEGG NA NA +C16688 Sucrose-6-phosphate C12H23O14P 422.0825 NA KEGG NA NA +C16689 poly-cis-Polyprenyl diphosphate longer by one C5 unit C11H22O7P2 422.0825 NA KEGG NA NA +C16690 5-L-Glutamyl-D-glutamyl-peptide C10H16N3O6R 422.0825 NA KEGG NA NA +C16691 DNA 2,6-diamino-5-formamido-3,4-dihydro-4-oxopyrimidine C10H16N5O8P 422.0825 NA KEGG NA NA +C18050 beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate C12H23O14P 422.0825 NA KEGG NA NA +MJ059635 1,1'-Di-myo-inosityl phosphate C12H23O14P 422.082541 NA MeJP NA NA +MJ059636 alpha,alpha'-Trehalose 6-phosphate C12H23O14P 422.082542 NA MeJP NA NA +MJ059637 Lactose 6-phosphate C12H23O14P 422.082542 NA MeJP NA NA +MJ059638 Maltose 6'-phosphate C12H23O14P 422.082542 NA MeJP NA NA +MJ059639 Sugar 1-phosphate C12H23O14P 422.082542 NA MeJP NA NA +MetaCyc03484 6-phospho-β-D-glucosyl-(1,4)-D-glucose [] C12H23O14P1 422.082542 NA metacyc NA NA +MetaCyc03485 maltose 6'-phosphate [] C12H23O14P1 422.082542 NA metacyc NA NA +MetaCyc03486 trehalose 6-phosphate [α,α-trehalose 6-phosphate;] C12H23O14P1 422.082542 4484-88-2 metacyc NA NA +MetaCyc03487 sucrose-6-phosphate [sucrose 6F-phosphate;sucrose-6-P;] C12H23O14P1 422.082542 NA metacyc NA NA +MetaCyc03488 lactose 6'-phosphate [] C12H23O14P1 422.082542 NA metacyc NA NA +MetaCyc03489 6-phospho-β-D-glucosyl-(1,4)-D-glucose [] C12H23O14P1 422.082542 NA metacyc NA NA +HMDB01124 Trehalose 6-phosphate C12H23O14P 422.08255 http://www.hmdb.ca/metabolites/HMDB01124 HMDB NA NA +HMDB06789 Lactose 6-phosphate C12H23O14P 422.08255 http://www.hmdb.ca/metabolites/HMDB06789 HMDB NA NA +HMDB01124 Trehalose 6-phosphate C12H23O14P 422.08255 HMDB01124 PFEM_hmdb_metabocards_official NA NA +HMDB06789 Lactose 6-phosphate C12H23O14P 422.08255 HMDB06789 PFEM_hmdb_metabocards_official NA NA +HMDB01124 Trehalose 6-phosphate C12H23O14P 422.08255 NA HMDB2010 NA NA +HMDB06789 Lactose 6-phosphate C12H23O14P 422.08255 NA HMDB2010 NA NA +C10077 Mangiferin C19H18O11 422.0849 NA KEGG NA NA +C10089 Norswertianolin C19H18O11 422.0849 NA KEGG NA NA +C10095 Tripteroside C19H18O11 422.0849 NA KEGG NA NA +C16979 Isomangiferin C19H18O11 422.0849 NA KEGG NA NA +MJ059640 1,2,6,8-Tetrahydroxyxanthone; 1-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +MJ059641 1,2,6,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +MJ059642 1,3,5,6-Tetrahydroxyxanthone; 3-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +MJ059643 1,3,5,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +MJ059644 1,3,6,7-Tetrahydroxyxanthone; 6-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +MJ059645 2-Glucosyl-1,3,5,6-tetrahydroxyxanthone C19H18O11 422.084911 NA MeJP NA NA +MJ059646 Chrysograyanone C19H18O11 422.084911 NA MeJP NA NA +MJ059647 Dilatatin C19H18O11 422.084911 NA MeJP NA NA +MJ059648 Isomangiferin C19H18O11 422.084911 NA MeJP NA NA +MJ059649 Mangiferin C19H18O11 422.084911 NA MeJP NA NA +MJ059650 Nigricanside C19H18O11 422.084911 NA MeJP NA NA +MJ059651 Melithiazoles; Melithiazole M C19H22N2O5S2 422.097013 NA MeJP NA NA +FLIFHVNF0001 Villosone C23H18O8 422.10016 65160-16-9 knapsack NA NA +FLIHFCNF0001 Thonningine A C23H18O8 422.10016 86989-16-4 knapsack NA NA +MJ059652 Amorphigenin; 6a,12a-Didehydro, 6-oxo C23H18O8 422.100167 NA MeJP NA NA +MJ059653 Antibiotic A 35566B; 4'-Ketone C23H18O8 422.100167 NA MeJP NA NA +MJ059654 Diphyllin; Ac C23H18O8 422.100167 NA MeJP NA NA +MJ059655 Sumatrol; 6a,12a-Didehydro, 6-oxo C23H18O8 422.100167 NA MeJP NA NA +MJ059656 Tetracenomycin D3; Me ester, 3,8-di-Me ether C23H18O8 422.100167 NA MeJP NA NA +MJ059657 Thonningine A C23H18O8 422.100167 NA MeJP NA NA +MJ059658 ?-Toxicarol; 7a,13a-Didehydro, 13-oxo C23H18O8 422.100167 NA MeJP NA NA +C12371 Tetracenomycin A2 C23H18O8 422.1002 NA KEGG NA NA +MJ059659 3-Chloro-11,12-dihydroindolo[2,3-a]carbazole; N11-?-D-Xylopyranosyl C23H19ClN2O4 422.103334 NA MeJP NA NA +MJ059660 3-Chloro-11,12-dihydroindolo[2,3-a]carbazole; N12-?-D-Xylopyranosyl C23H19ClN2O4 422.103334 NA MeJP NA NA +PJ001201 GCDE C14H22N4O9S 422.1108 NA PeJP NA NA +MJ059661 Divaricatic acid ; 3-Chloro C21H23ClO7 422.11323 NA MeJP NA NA +MJ059662 Eriodermic acid; 2'-Me ether, Me ester C21H23ClO7 422.11323 NA MeJP NA NA +MJ059663 Eriodermic acid; 2-Me ether, Me ester C21H23ClO7 422.11323 NA MeJP NA NA +MJ059664 Eriodermic acid; 4-Me ether, Me ester C21H23ClO7 422.11323 NA MeJP NA NA +MJ059665 8-Chlorodibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid 2-[1-oxo-3-(4-pyridinyl)propyl]hydrazide C22H19ClN4O3 422.114568 NA MeJP NA NA +MJ059666 Xylerythrin; 5-Me ether C27H18O5 422.115423 NA MeJP NA NA +FL1DHXCS0003 2',4',3,4,alpha-Pentahydroxydihydrochalcone 3'-C-xyloside C20H22O10 422.12129 222159-59-3 knapsack NA NA +FL63ACGS0001 Catechin 7-O-beta-D-xyloside C20H22O10 422.12129 - knapsack NA NA +FL63ACGS0009 Catechin 5-O-beta-D-apiofuranoside C20H22O10 422.12129 125322-89-6 knapsack NA NA +FL63ACGS0013 Catechin 7-O-apiofuranoside C20H22O10 422.12129 81905-13-7 knapsack NA NA +FL63ACGS0014 Polydine C20H22O10 422.12129 29289-02-9 knapsack NA NA +FL63ACGS0015 Catechin 7-O-beta-D-xylopyranoside C20H22O10 422.12129 42830-48-8 knapsack NA NA +MJ059667 1,2,3,9-Dibenzofurantetrol; 1,3-Di-Me ether, 9-O-?-D-glucopyranoside C20H22O10 422.121296 NA MeJP NA NA +MJ059668 2,4,4',6-Tetrahydroxybenzophenone; 4-Me ether, 2-O-?-D-glucopyranoside C20H22O10 422.121296 NA MeJP NA NA +MJ059669 2,6-Dihydroxy-3-(2-hydroxybenzyl)benzoic acid; 2'-O-?-D-Glucopyranoside C20H22O10 422.121296 NA MeJP NA NA +MJ059670 3,3',4',5,7-Pentahydroxyflavan, 5-O-?-D-Xylopyranoside C20H22O10 422.121296 NA MeJP NA NA +MJ059671 3,3',4',5,7-Pentahydroxyflavan, 5-O-?-D-Apiofuranoside C20H22O10 422.121296 NA MeJP NA NA +MJ059672 3,3',4',5,7-Pentahydroxyflavan, 7-O-?-D-Apiofuranoside C20H22O10 422.121296 NA MeJP NA NA +MJ059673 3,3',4',5,7-Pentahydroxyflavan, 7-O-?-D-Xylopyranoside C20H22O10 422.121296 NA MeJP NA NA +MJ059674 3,3',4',5,7-Pentahydroxyflavan, 7-O-?-L-Arabinofuranoside C20H22O10 422.121296 NA MeJP NA NA +MJ059675 3,3',4',5,7-Pentahydroxyflavan, 7-O-?-L-Arabinopyranoside C20H22O10 422.121296 NA MeJP NA NA +MJ059676 3,4-Dihydroxybenzyl alcohol; 1'-O-(4-Hydroxybenzoyl), 4-O-?-D-glucopyranoside C20H22O10 422.121296 NA MeJP NA NA +MJ059677 3-(3,4-Dihydroxyphenyl)-1-(2,4-dihydroxy-3-?-D-xylopyranosyl)-2-hydroxy-1-propanone C20H22O10 422.121296 NA MeJP NA NA +MJ059678 3-Acetyl-5,7-dihydroxy-2-methyl-1,4-naphthoquinone; 7-Me ether, 5-O-?-D-glucopyranoside C20H22O10 422.121296 NA MeJP NA NA +MJ059679 4-Hydroxybenzyl alcohol; ?-O-(3,4-Dihydroxybenzoyl), 4-O-?-D-glucopyranoside C20H22O10 422.121296 NA MeJP NA NA +MJ059680 6-Acetyl-4,5-dihydroxy-7-methyl-2-naphthalenecarboxylic acid; 4-O-?-D-Glucopyranoside C20H22O10 422.121296 NA MeJP NA NA +MJ059681 Benzyl glucopyranoside; ?-D-form, 6-O-(3,4,5-Trihydroxybenzoyl) C20H22O10 422.121296 NA MeJP NA NA +MJ059682 Lecanoric acid; Erythritol ester C20H22O10 422.121296 NA MeJP NA NA +MJ059683 Odontoside; 3-Deoxy C20H22O10 422.121296 NA MeJP NA NA +MJ059684 Plataplatanoside C20H22O10 422.121296 NA MeJP NA NA +MJ059685 Plicatic acid C20H22O10 422.121296 NA MeJP NA NA +MJ059686 Salicin; 1''-O-(2,6-Dihydroxybenzoyl) C20H22O10 422.121296 NA MeJP NA NA +C09617 Catechin 7-O-beta-D-xyloside C20H22O10 422.1213 NA KEGG NA NA +C10873 Plicatic acid C20H22O10 422.1213 NA KEGG NA NA +C10980 Bifenthrin C23H22ClF3O2 422.126 NA KEGG NA NA +PJ001202 CDW C18H22N4O6S 422.126 NA PeJP NA NA +PJ001203 SSDD C14H22N4O11 422.1285 NA PeJP NA NA +PJ001204 PTCC C15H26N4O6S2 422.1294 NA PeJP NA NA +MJ059687 Osmadizone C23H22N2O4S 422.130027 NA MeJP NA NA +MJ059688 Cystothiazole A C20H26N2O4S2 422.133398 NA MeJP NA NA +MJ059689 Melithiazoles; Melithiazole B, 11?,12-Dihydro C20H26N2O4S2 422.133398 NA MeJP NA NA +C15696 Melithiazol A C20H26N2O4S2 422.1334 NA KEGG NA NA +C15712 Melithiazole E C20H26N2O4S2 422.1334 NA KEGG NA NA +FL2FA9NR0003 Lepidissipyrone C24H22O7 422.13655 122585-68-6 knapsack NA NA +FL3FA9NC0003 Enantiomultijugin;(7aR,10S,10aS)-rel-(-)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one C24H22O7 422.13655 145264-18-2 knapsack NA NA +FL3FA9NF0003 Multijugin;(7aR,10S,10aS)-rel-(+)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one C24H22O7 422.13655 58276-82-7 knapsack NA NA +MJ059690 ?-Indomycinone; 17,18-Dihydro, 18-hydroxy C24H22O7 422.136553 NA MeJP NA NA +MJ059691 Multijuginol, Ac C24H22O7 422.136553 NA MeJP NA NA +MJ059692 Obtusifolin C24H22O7 422.136553 NA MeJP NA NA +C11644 Lamiide C17H26O12 422.1424 NA KEGG NA NA +C11660 10-Hydroxymorroniside C17H26O12 422.1424 NA KEGG NA NA +MJ059693 Adoxosidic acid; 5?,6?-Dihydroxy, Me ester C17H26O12 422.142426 NA MeJP NA NA +MJ059694 Clandonoside II C17H26O12 422.142426 NA MeJP NA NA +MJ059695 Ipolamiide; 6?-Hydroxy C17H26O12 422.142426 NA MeJP NA NA +MJ059696 Lamalbide C17H26O12 422.142426 NA MeJP NA NA +MJ059697 Lamiide C17H26O12 422.142426 NA MeJP NA NA +MJ059698 Nyctanthoside C17H26O12 422.142426 NA MeJP NA NA +MJ059699 Pulchelloside I C17H26O12 422.142426 NA MeJP NA NA +C15155 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione C22H31BrO3 422.1457 NA KEGG NA NA +PJ001205 GSEM C15H26N4O8S 422.1472 NA PeJP NA NA +MJ059700 Hypecumine C23H22N2O6 422.147786 NA MeJP NA NA +MJ059701 Kopsinitarine A C23H22N2O6 422.147786 NA MeJP NA NA +MJ059702 Izonsteride C24H26N2OS2 422.148654 NA MeJP NA NA +MJ059703 Isoplagiochin A C28H22O4 422.151809 NA MeJP NA NA +MJ059704 Isoplagiochin C C28H22O4 422.151809 NA MeJP NA NA +MJ059705 Planusin A C28H22O4 422.151809 NA MeJP NA NA +MJ059706 Ptychantol A C28H22O4 422.151809 NA MeJP NA NA +MJ059707 1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 13-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059708 1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl), 13-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059709 1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-(2-Hydroxymethylpropenoyl), 13-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059710 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-(Methylpropenoyl), 13-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059711 1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl), 13-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059712 1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Hydroxymethylpropenoyl), 13-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059713 1,4-Epoxy-8,10,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl), 13-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059714 1,8,9-Trihydroxy-2,3-seco-4,11(13)-germacradiene-3,10:12,6-diolide, 8-(2-Methylpropenoyl), 9-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059715 15-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 11,13-Didehydro, 15-O-?-D-glucopyranoside C21H26O9 422.157682 NA MeJP NA NA +MJ059716 2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 13-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059717 2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 2,8,9-Tri-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059718 3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethyl-2-propenoyl), 15-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059719 3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethyl-2-propenoyl), 3-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059720 3,4-Dihydro-1,3-dimethyl-1H-naphtho[2,3-c]pyran-7,9,10-triol, 9-O-?-D-Glucopyranoside C21H26O9 422.157682 NA MeJP NA NA +MJ059721 3-(1,1-Dimethyl-2-propenyl)-6,7-dihydroxy-2H-1-benzopyran-2-one; 6-Me ether, 7-O-?-D-glucopyranoside C21H26O9 422.157682 NA MeJP NA NA +MJ059722 3-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 11,13-Didehydro, 3-O-?-D-glucopyranoside C21H26O9 422.157682 NA MeJP NA NA +MJ059723 4,5-Epoxy-2,8,13-trihydroxy-1(10),7(11)-germacradien-12,6-olide, Tri-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059724 4,5-Epoxy-8,9,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059725 4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; Bis-O-(2,3-dihydroxy-3-methylbutyl) C21H26O9 422.157682 NA MeJP NA NA +MJ059726 5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, 14-Hydroxy, lactone, 14-?-D-glucopyranoside C21H26O9 422.157682 NA MeJP NA NA +MJ059727 6,8,9,13-Tetrahydroxy-1-oxo-4,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059728 8,9,10-Trihydroxy-2,3-seco-4,11(13)-germacradiene-3,1;12,6-diolide, 8-(2-Methylpropenoyl), 9-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059729 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-O-?-D-Glucopyranoside C21H26O9 422.157682 NA MeJP NA NA +MJ059730 Juniperin; 8-O-Deangeloyl, 8-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059731 Polyandrol; 5-Epimer, 15-Ac C21H26O9 422.157682 NA MeJP NA NA +MJ059732 Pterolactone B; 12-Deoxy, 10-O-?-D-glucopyranoside C21H26O9 422.157682 NA MeJP NA NA +MJ059733 Thaxtomin A; 3''-Deoxy C22H22N4O5 422.159019 NA MeJP NA NA +MJ059734 Losartan C22H23ClN6O 422.162187 NA MeJP NA NA +C07072 Losartan C22H23ClN6O 422.1622 NA KEGG NA NA +PJ001206 SMW C19H26N4O5S 422.1624 NA PeJP NA NA +MJ059735 Ochrindole D C27H22N2O3 422.163042 NA MeJP NA NA +PJ001207 SSTE C15H26N4O10 422.1649 NA PeJP NA NA +PJ001208 AAMM C16H30N4O5S2 422.1658 NA PeJP NA NA +MJ059736 17-(Cyclopropylmethyl)-4,5-epoxy-7-isothiocyanato-6-methoxy-6,14-ethenomorphinan-3-ol C24H26N2O3S 422.166413 NA MeJP NA NA +MJ059737 Opanixil C19H21F3N6O2 422.167808 NA MeJP NA NA +FL1AACNI0001 Antiarone A C25H26O6 422.17293 128883-66-9 knapsack NA NA +FL1AACNI0002 Antiarone B C25H26O6 422.17293 128864-27-7 knapsack NA NA +FL1C28NP0002 Flemingin C C25H26O6 422.17293 18296-60-1 knapsack NA NA +FL1C28NP0003 Flemingin B C25H26O6 422.17293 18361-42-7 knapsack NA NA +FL1C2ANP0002 Flemingin E C25H26O6 422.17293 50886-59-4 knapsack NA NA +FL1C2ANP0003 Flemingin F C25H26O6 422.17293 50886-58-3 knapsack NA NA +FL1CA8NP0002 Flemiwallichin B C25H26O6 422.17293 58264-34-9 knapsack NA NA +FL1CA8NP0003 Flemiwallichin A C25H26O6 422.17293 58264-33-8 knapsack NA NA +FL2FA8NP0002 Orotinin C25H26O6 422.17293 108864-16-0 knapsack NA NA +FL2FAANF0004 Lupinenol C25H26O6 422.17293 162616-69-5 knapsack NA NA +FL2FAANP0016 2''',3'''-Epoxylupinifolin;2'',3''-Epoxylupinifolin;(2S)-5,4'-Dihydroxy-8-(2,3-epoxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone C25H26O6 422.17293 193485-23-3 knapsack NA NA +FL2FAANP0017 Dereticulatin;5,4'-Dihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone C25H26O6 422.17293 193551-72-3 knapsack NA NA +FL2FACNP0004 Sigmoidin F C25H26O6 422.17293 126005-97-8 knapsack NA NA +FL2FACNP0008 Dorsmanin I;(2S)-5,3',4'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone C25H26O6 422.17293 329703-46-0 knapsack NA NA +FL2FALNP0003 Euchrestaflavanone C C25H26O6 422.17293 91878-51-2 knapsack NA NA +FL2FALNP0004 Cudraflavanone A C25H26O6 422.17293 87402-92-4 knapsack NA NA +FL2FALNP0006 Flemichin D C25H26O6 422.17293 57096-07-8 knapsack NA NA +FL2FALNP0009 Kuwanon F C25H26O6 422.17293 71344-07-5 knapsack NA NA +FL2FALNP0010 Sanggenon I C25H26O6 422.17293 86450-79-5 knapsack NA NA +FL2FALNP0011 Sanggenon N C25H26O6 422.17293 92280-12-1 knapsack NA NA +FL2FALNP0012 Kuwanol C C25H26O6 422.17293 123702-94-3 knapsack NA NA +FL2FALNP0013 Euchrenone a9 C25H26O6 422.17293 130289-27-9 knapsack NA NA +FL2FALNP0021 Sanggenol N;(2S)-5,7,2'-Trihydroxy-5'-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone C25H26O6 422.17293 426211-26-9 knapsack NA NA +FL2FALNP0022 Sanggenol L;5,2'.4'-Trihydroxy-6''-methyl-6''-(4-methylpent-3-enyl)-pyrano[2'',3'':7,8]flavanone C25H26O6 422.17293 329319-20-2 knapsack NA NA +FL2FALNR0001 Kuwanon D C25H26O6 422.17293 67172-84-3 knapsack NA NA +FL3FAANI0009 Yinyanghuo B;(-)-5,7-Dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-5-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one C25H26O6 422.17293 174286-24-9 knapsack NA NA +FL3FACNI0004 Epimedokoreanin B;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C25H26O6 422.17293 161068-53-7 knapsack NA NA +FL3FALNI0005 Albanin E C25H26O6 422.17293 134955-27-4 knapsack NA NA +FL3FALNI0006 Mulberrin;Kuwanon C;Norartocarpin;2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C25H26O6 422.17293 62949-79-5 knapsack NA NA +FL3FALNI0007 Kuwanon T;2-[2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C25H26O6 422.17293 100187-66-4 knapsack NA NA +FL3FALNI0013 Cudraflavone C;2',4',5,7-Tetrahydroxy-3,6-bis(3-methyl-2-butenyl)flavone;2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,6-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C25H26O6 422.17293 19275-47-9 knapsack NA NA +FL3FALNI0015 Cudraflavone D;2-[2,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C25H26O6 422.17293 130335-49-8 knapsack NA NA +FL4DA8NP0001 Jayacanol;(3R)-3-Hydroxyminimiflorin;3,5,2'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone C25H26O6 422.17293 259812-81-2 knapsack NA NA +FL4DAANP0003 Lupinifolinol C25H26O6 422.17293 55890-28-3 knapsack NA NA +FL5FAANI0003 Macarangin;(E)-6-(3,7-dimethyl-2,6-octadienyl)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one;6-[(2E)-3,7-Dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C25H26O6 422.17293 129385-65-5 knapsack NA NA +FL5FAANI0008 Glyasperin A;3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C25H26O6 422.17293 142474-52-0 knapsack NA NA +FL5FAANI0009 Broussoflavonol F;3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C25H26O6 422.17293 162558-94-3 knapsack NA NA +FL5FAANI0010 Isomacarangin;8-[(2Z)-3,7-Dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C25H26O6 422.17293 229470-28-4 knapsack NA NA +FL5FAANI0011 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C25H26O6 422.17293 54013-24-0 knapsack NA NA +FLIAAANF0004 Lupinisoflavone G C25H26O6 422.17293 121747-91-9 knapsack NA NA +FLIAAANF0005 Senegalensin C25H26O6 422.17293 139051-61-9 knapsack NA NA +FLIAAANF0007 Euchrenone b10;8-Prenylerythrinin C C25H26O6 422.17293 130289-28-0 knapsack NA NA +FLIAAANI0011 Lupinisol A C25H26O6 422.17293 121747-99-7 knapsack NA NA +FLIAAANP0010 Lupinisolone A C25H26O6 422.17293 121747-96-4 knapsack NA NA +FLIAAANP0015 Euchrenone b6 C25H26O6 422.17293 130170-02-4 knapsack NA NA +FLIAAANP0017 Euchrenone b7 C25H26O6 422.17293 130170-03-5 knapsack NA NA +FLIAACNI0002 6,8-Diprenylorobol;5,7,3',4'-Tetrahydroxy-6,8-diprenylisoflavone C25H26O6 422.17293 66777-70-6 knapsack NA NA +FLIAACNI0005 Isoangustone A;5,7,3',4'-Tetrahydroxy-6,5'-diprenylisoflavone C25H26O6 422.17293 129280-34-8 knapsack NA NA +FLIAALNI0006 Angustone A;5,7,2',4'-Tetrahydroxy-6,3'-diprenylisoflavone C25H26O6 422.17293 90686-13-8 knapsack NA NA +FLIAALNI0011 Fremontone;5,7,2',4'-Tetrahydroxy-3'-prenyl-5'-(1''',1'''-dimethylallyl)isoflavone C25H26O6 422.17293 124166-28-5 knapsack NA NA +FLIAALNI0018 2'-Hydroxyisolupalbigenin;5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavone C25H26O6 422.17293 121747-94-2 knapsack NA NA +FLIAALNI0019 8-Prenylluteone;5,7,2',4'-Tetrahydroxy-6,8-diprenylisoflavone C25H26O6 422.17293 125002-91-7 knapsack NA NA +FLIBALNP0004 Cajanone C25H26O6 422.17293 63006-48-4 knapsack NA NA +FLIBALNP0005 Lespedeol B C25H26O6 422.17293 51581-04-5 knapsack NA NA +FLIBALNP0007 2,3-Dihydroauriculatin;5,2',4'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavanone C25H26O6 422.17293 105594-10-3 knapsack NA NA +FLNAA9NF0001 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(3-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one C25H26O6 422.17293 30563-62-3 knapsack NA NA +FLNAA9NF0002 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(2-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one;MAB3 C25H26O6 422.17293 30390-13-7 knapsack NA NA +MJ059738 2',4',5,7-Tetrahydroxy-3',6-diprenylisoflavone C25H26O6 422.172938 NA MeJP NA NA +MJ059739 2',4',5,7-Tetrahydroxy-3',8-diprenylisoflavone C25H26O6 422.172938 NA MeJP NA NA +MJ059740 2',4',5,7-Tetrahydroxy-3,3'-diprenylflavone C25H26O6 422.172938 NA MeJP NA NA +MJ059741 2',4',5,7-Tetrahydroxy-3,6-diprenylflavone C25H26O6 422.172938 NA MeJP NA NA +MJ059742 2',4',5,7-Tetrahydroxy-3,8-diprenylflavone C25H26O6 422.172938 NA MeJP NA NA +MJ059743 2',4',5,7-Tetrahydroxy-5',6-diprenylflavone C25H26O6 422.172938 NA MeJP NA NA +MJ059744 2',4',5,7-Tetrahydroxy-6,8-diprenylisoflavone C25H26O6 422.172938 NA MeJP NA NA +MJ059745 2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(2-methyl-1-oxobutyl)-9-phenyl-7H-furo[2,3-f][1]benzopyran-7-one C25H26O6 422.172938 NA MeJP NA NA +MJ059746 2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(3-methyl-1-oxobutyl)-9-phenyl-7H-furo[2,3-f][1]benzopyran-7-one C25H26O6 422.172938 NA MeJP NA NA +MJ059747 3',4',5,7-Tetrahydroxy-5',6-diprenylisoflavone C25H26O6 422.172938 NA MeJP NA NA +MJ059748 3',4',5,7-Tetrahydroxy-5',8-diprenylflavone C25H26O6 422.172938 NA MeJP NA NA +MJ059749 3',4',5,7-Tetrahydroxy-5',8-diprenylisoflavone C25H26O6 422.172938 NA MeJP NA NA +MJ059750 3',4',5,7-Tetrahydroxy-6,8-diprenylisoflavone C25H26O6 422.172938 NA MeJP NA NA +MJ059751 3'-(3,7-Dimethyl-2,6-octadienyl)-2',4',5',7-tetrahydroxyisoflavone C25H26O6 422.172938 NA MeJP NA NA +MJ059752 3,4',5,7-Tetrahydroxy-3',6-diprenylflavone C25H26O6 422.172938 NA MeJP NA NA +MJ059753 3,4',5,7-Tetrahydroxy-3',8-diprenylflavone C25H26O6 422.172938 NA MeJP NA NA +MJ059754 3,4',5,7-Tetrahydroxy-6,8-diprenylflavone C25H26O6 422.172938 NA MeJP NA NA +MJ059755 4',5,7-Trihydroxy-3',6-diprenylisoflavone; ?3'''-Isomer, 2'''-hydroxy C25H26O6 422.172938 NA MeJP NA NA +MJ059756 4',5,7-Trihydroxy-3',6-diprenylisoflavone; ?3''-Isomer, 2''-hydroxy C25H26O6 422.172938 NA MeJP NA NA +MJ059757 4',5,7-Trihydroxy-6,8-diprenylisoflavone; ?3'''-Isomer, 2'''-hydroxy C25H26O6 422.172938 NA MeJP NA NA +MJ059758 5,7-Dihydroxy-6-(4-hydroxy-3-methyl-1-oxobutyl)-8-(3-methyl-2-butenyl)-4-phenyl-2H-1-benzopyran-2-one C25H26O6 422.172938 NA MeJP NA NA +MJ059759 8-Geranyl-2',4',5,7-tetrahydroxyflavone C25H26O6 422.172938 NA MeJP NA NA +MJ059760 8-Geranyl-3,4',5,7-tetrahydroxyflavone C25H26O6 422.172938 NA MeJP NA NA +MJ059761 Albanin E C25H26O6 422.172938 NA MeJP NA NA +MJ059762 Antiarone A C25H26O6 422.172938 NA MeJP NA NA +MJ059763 Antiarone B C25H26O6 422.172938 NA MeJP NA NA +MJ059764 Arugosin E C25H26O6 422.172938 NA MeJP NA NA +MJ059765 Auriculatin; 2,3-Dihydro C25H26O6 422.172938 NA MeJP NA NA +MJ059766 Brosimone G; 2,3-Dihydro C25H26O6 422.172938 NA MeJP NA NA +MJ059767 Cajanone C25H26O6 422.172938 NA MeJP NA NA +MJ059768 Caloxanthone A; 8,9-Di-Me ether C25H26O6 422.172938 NA MeJP NA NA +MJ059769 Chapelieric acid C25H26O6 422.172938 NA MeJP NA NA +MJ059770 Cudraflavanone A C25H26O6 422.172938 NA MeJP NA NA +MJ059771 Cudraflavone B; 6,7-Dihydro C25H26O6 422.172938 NA MeJP NA NA +MJ059772 Cyclomammeisin C25H26O6 422.172938 NA MeJP NA NA +MJ059773 Eriosemaone B C25H26O6 422.172938 NA MeJP NA NA +MJ059774 Eryvarin B C25H26O6 422.172938 NA MeJP NA NA +MJ059775 Euchrenone a9 C25H26O6 422.172938 NA MeJP NA NA +MJ059776 Euchrenone b10 C25H26O6 422.172938 NA MeJP NA NA +MJ059777 Euchrenone b7 C25H26O6 422.172938 NA MeJP NA NA +MJ059778 Euchrestaflavanone C C25H26O6 422.172938 NA MeJP NA NA +MJ059779 Flemingin A; 5''-Hydroxy C25H26O6 422.172938 NA MeJP NA NA +MJ059780 Flemingin A; 6''-Hydroxy C25H26O6 422.172938 NA MeJP NA NA +MJ059781 Flemingin D; ?2''-Isomer, 4''-hydroxy C25H26O6 422.172938 NA MeJP NA NA +MJ059782 Flemingin D; ?4''-Isomer, 3''-hydroxy C25H26O6 422.172938 NA MeJP NA NA +MJ059783 Flemiwallichin A C25H26O6 422.172938 NA MeJP NA NA +MJ059784 Fremontone C25H26O6 422.172938 NA MeJP NA NA +MJ059785 Glyasperin J C25H26O6 422.172938 NA MeJP NA NA +MJ059786 Jayacanol C25H26O6 422.172938 NA MeJP NA NA +MJ059787 Kayeaxanthone C25H26O6 422.172938 NA MeJP NA NA +MJ059788 Kuwanol C C25H26O6 422.172938 NA MeJP NA NA +MJ059789 Kuwanon D C25H26O6 422.172938 NA MeJP NA NA +MJ059790 Kuwanon F C25H26O6 422.172938 NA MeJP NA NA +MJ059791 Lespedol B C25H26O6 422.172938 NA MeJP NA NA +MJ059792 Lonchocarpol C; 1'',2''-Didehydro C25H26O6 422.172938 NA MeJP NA NA +MJ059793 Lupinifolin, 2'-Hydroxy C25H26O6 422.172938 NA MeJP NA NA +MJ059794 Lupinifolin, 2''',3'''-Epoxide C25H26O6 422.172938 NA MeJP NA NA +MJ059795 Lupinifolin, 2'-Hydroxy C25H26O6 422.172938 NA MeJP NA NA +MJ059796 Lupinifolin, 3'-Hydroxy C25H26O6 422.172938 NA MeJP NA NA +MJ059797 Lupinifolin, ?3'''-Isomer, 2'''-hydroxy C25H26O6 422.172938 NA MeJP NA NA +MJ059798 Lupinifolinol C25H26O6 422.172938 NA MeJP NA NA +MJ059799 Lupinisoflavone G C25H26O6 422.172938 NA MeJP NA NA +MJ059800 Lupinisolone A C25H26O6 422.172938 NA MeJP NA NA +MJ059801 Lupinisolone B; 5'-Deoxy C25H26O6 422.172938 NA MeJP NA NA +MJ059802 Lupinol A C25H26O6 422.172938 NA MeJP NA NA +MJ059803 MAB 3 C25H26O6 422.172938 NA MeJP NA NA +MJ059804 Macarangin C25H26O6 422.172938 NA MeJP NA NA +MJ059805 Mammea A/AB; ?3'-Isomer, 2'-hydroxy C25H26O6 422.172938 NA MeJP NA NA +MJ059806 Mammea A/BA; ?3'-Isomer, 2'-hydroxy C25H26O6 422.172938 NA MeJP NA NA +MJ059807 Mammea A/BB; ?3'-Isomer, 2'-hydroxy C25H26O6 422.172938 NA MeJP NA NA +MJ059808 Mammeisin; ?3'-Isomer, 2'-hydroxy C25H26O6 422.172938 NA MeJP NA NA +MJ059809 Orotinin C25H26O6 422.172938 NA MeJP NA NA +MJ059810 Ploiariquinone A; 3',4'-Dihydro, 4'-hydroxy C25H26O6 422.172938 NA MeJP NA NA +MJ059811 Sanggenon I C25H26O6 422.172938 NA MeJP NA NA +MJ059812 Sanggenon N C25H26O6 422.172938 NA MeJP NA NA +MJ059813 Scandenone; 2''',3'''-Dihydro, 3'''-hydroxy C25H26O6 422.172938 NA MeJP NA NA +MJ059814 Senegalensin C25H26O6 422.172938 NA MeJP NA NA +MJ059815 Shanciol A; 3'-Demethoxy C25H26O6 422.172938 NA MeJP NA NA +MJ059816 Sigmoidin F C25H26O6 422.172938 NA MeJP NA NA +MJ059817 Tajixanthone C25H26O6 422.172938 NA MeJP NA NA +MJ059818 Terphenyllin; 3''-Hydroxy, 4''-O-(3-methyl-2-butenyl) C25H26O6 422.172938 NA MeJP NA NA +MJ059819 Ugonin A C25H26O6 422.172938 NA MeJP NA NA +MJ059820 Yinyanghuo B C25H26O6 422.172938 NA MeJP NA NA +MetaCyc03490 rotenone [] C25H26O6 422.172939 NA metacyc NA NA +PJ001209 GSPY C19H26N4O7 422.1802 NA PeJP NA NA +PJ001210 ATTM C16H30N4O7S 422.1835 NA PeJP NA NA +MJ059821 Arenine, Me ether, N-oxide(?-) C24H26N2O5 422.184171 NA MeJP NA NA +MJ059822 Arenine, Me ether, N-oxide(?-) C24H26N2O5 422.184171 NA MeJP NA NA +MJ059823 Ascofuranol C23H31ClO5 422.186001 NA MeJP NA NA +MJ059824 Enkastine; Enkastine 4 C17H30N2O10 422.190045 NA MeJP NA NA +MJ059825 1,10-Epoxy-6,8-dihydroxy-7(11)-eremophilen-12,8-olide, 8-Et ether, 6-[2-(1-hydroxyethoxy)-2-propenoyl] C22H30O8 422.194067 NA MeJP NA NA +MJ059826 1,3,8,15-Tetrahydroxy-4,9,11(13)-germacratrien-12,6-olide, 8-(2S-Methylbutanoyl), 3-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059827 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 1-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059828 1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl) C22H30O8 422.194067 NA MeJP NA NA +MJ059829 1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl) C22H30O8 422.194067 NA MeJP NA NA +MJ059830 15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8?-Hydroxy, 3-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059831 15,16-Epoxy-6,8,9,17,20-pentahydroxy-13(16),14-labdadien-19-oic acid, 19?20 Lactone, 6-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059832 2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone, 6-(2-methylbutanoyl), 9-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059833 2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 2-Angeloyl, 6-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059834 2,6,8-Trihydroxy-4-oxo-11(13)-pseudoguaien-12,9-olide, 6-(2-Methylbutanoyl), 8-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059835 2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 9-(2-Methylbutanoyl), 2-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059836 2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 9-(3-Methylbutanoyl), 2-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059837 3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl), 1-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059838 3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,3',5,5'-Tetra-Me ether C22H30O8 422.194067 NA MeJP NA NA +MJ059839 3,8,10-Trihydroxy-1-oxo-11(13)-germacren-12,6-olide, 3-Me ether, 8-(2-methylpropenoyl), 10-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059840 3,8,10-Trihydroxy-1-oxo-11(13)-germacren-12,6-olide, 8-Angeloyl, 10-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059841 3,8,10-Trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 4?,5-Dihydro, 8-angeloyl, 10-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059842 3,8-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl), 9-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059843 4,10:15,16-Diepoxy-3,6,18,19-tetrahydroxy-13(16),14-clerodadien-7-one, 19-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059844 4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-3,6,19,20-tetrol, 19-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059845 4,18:15,16-Diepoxy-3,6,10,19-tetrahydroxy-13(16),14-clerodadien-7-one, 19-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059846 4,5-Epoxy-1,8,13-trihydroxy-7(11)-germacren-12,6-olide, 8-Tigloyl, 13-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059847 4,9,12,13,16,20-Hexahydroxy-1,6-tigliadien-3-one, 13-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059848 4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, O-(2-O-Acetyl-?-L-arabinopyranoside) C22H30O8 422.194067 NA MeJP NA NA +MJ059849 5,11-Epoxy-2,4,13-trihydroxy-12,8-guaianolide, 2-Angeloyl, 13-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059850 6,8,15-Trihydroxy-1,3,11(13)-elematrien-12-oic acid, 8-(2-Acetoxymethylpropenoyl), Me ester C22H30O8 422.194067 NA MeJP NA NA +MJ059851 7,20-Epoxy-1,6,7,11,19-pentahydroxy-16-kauren-15-one, 19-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059852 7,20-Epoxy-1,6,7,14,19-pentahydroxy-16-kauren-15-one, 19-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059853 7,20-Epoxy-16-kaurene-1,3,6,7,15,19-hexol, 15-Ketone, 19-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059854 8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(3-Hydroxy-2-methylbutanoyl), 8-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059855 8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl), 9-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059856 8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl), 9-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059857 8,9,10-Trihydroxy-1-oxo-3,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl), 9-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059858 8,9,10-Trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl), 9-Ac C22H30O8 422.194067 NA MeJP NA NA +MJ059859 8,9,14,15-Tetrahydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Ac, 8-(2-methylbutanoyl) C22H30O8 422.194067 NA MeJP NA NA +MJ059860 Leocardin C22H30O8 422.194067 NA MeJP NA NA +MJ059861 Nigakilactone H; 12-De-Me, 11,12-methylene ether C22H30O8 422.194067 NA MeJP NA NA +MJ059862 Valtrate C22H30O8 422.194067 NA MeJP NA NA +MJ059863 p-Mentha-1,3,5-triene-3,7,8,9,10-pentol; 7-(2-Methylbutanoyl), 9-angeloyl, 10-Ac C22H30O8 422.194067 NA MeJP NA NA +C09801 Valtratum C22H30O8 422.1941 NA KEGG NA NA +C16809 Isovaltrate C22H30O8 422.1941 NA KEGG NA NA +C17053 Picrasin F C22H30O8 422.1941 NA KEGG NA NA +PJ001211 AFW C23H26N4O4 422.1954 NA PeJP NA NA +PJ001212 TTTT C16H30N4O9 422.2013 NA PeJP NA NA +C02010 Blasticidin S C17H26N8O5 422.2026 NA KEGG NA NA +C02011 C3 convertase C17H26N8O5 422.2026 NA KEGG NA NA +C02012 Catecholamine C8H9NO2R2 422.2026 NA KEGG NA NA +MJ059864 Antibiotic A 221 C17H26N8O5 422.202615 NA MeJP NA NA +MJ059865 Blasticidin S C17H26N8O5 422.202615 NA MeJP NA NA +MJ059866 Isoblasticidin S C17H26N8O5 422.202615 NA MeJP NA NA +MJ059867 N2-[[[5-(1,6-Dihydro-6-oxo-9H-purin-9-yl)pentyl]oxy]carbonyl]arginine C17H26N8O5 422.202615 NA MeJP NA NA +MetaCyc03491 blasticidin-S [] C17H26N8O5 422.202616 2079-00-7 metacyc NA NA +8149 peptide derived from bovine k-casein (28-30) IQY 422.205 ACE inhibitor Inhouse_peptide NA peptide +8180 peptide derived from bovine k-casein (28-30) IQY 422.205 antibacterial Inhouse_peptide NA peptide +8267 f(28-30) of bovine kappa casein IQY 422.205 NA ;SYN:(-)-2-Pyrrolidone-5-carboxylate; (-)-2-Pyrrolidone-5-carboxylic acid; (-)-Pyroglutamate; (-)-Pyroglutamic acid; (5S)-2-Oxopyrrolidine-5-carboxylate; (5S)-2-Oxopyrrolidine-5-carboxylic acid; (S)-(-)-2-Pyrrolidone-5-carboxylate; (S)-(-)-2-Pyrrolidone-5-carboxylic acid; (S)-(-)-g-Butyrolactam-g-carboxylate; (S)-(-)-g-Butyrolactam-g-carboxylic acid; (S)-2-Pyrrolidone-5-carboxylate; (S)-2-Pyrrolidone-5-carboxylic acid; (S)-5-Oxo-2-pyrrolidinecarboxylate; (S)-5-Oxo-2-pyrrolidinecarboxylic acid; (S)-Pyroglutamate; (S)-Pyroglutamic acid; 2-L-Pyrrolidone-5-carboxylate; 2-L-Pyrrolidone-5-carboxylic acid; 2-Oxopyrrolidine-5(S)-carboxylate; 2-Oxopyrrolidine-5(S)-carboxylic acid; 2-Pyrrolidinone-5-carboxylate; 2-Pyrrolidinone-5-carboxylic acid; 5-Carboxy-2-pyrrolidinone; 5-Oxo-L-proline; 5-L-oxoproline; 5-Oxoproline; 5-Pyrrolidinone-2-carboxylate; 5-Pyrrolidinone-2-carboxylic acid; Ajidew A 100; Glutimate; Glutimic acid; Glutiminate; Glutiminic acid; L-2-Pyrrolidone-5-carboxylate; L-2-Pyrrolidone-5-carboxylic acid; L-5-Carboxy-2-pyrrolidinone; L-5-Oxo-2-pyrrolidinecarboxylate; L-5-Oxo-2-pyrrolidinecarboxylic acid; L-5-Oxoproline; L-Glutamic acid g-lactam; L-Glutimate; L-Glutimic acid; L-Glutiminate; L-Glutiminic acid; L-Pyroglutamate; L-Pyroglutamic acid; L-Pyrrolidinonecarboxylate; L-Pyrrolidinonecarboxylic acid; L-Pyrrolidonecarboxylate; L-Pyrrolidonecarboxylic acid; Oxoproline; Oxopyrrolidinecarboxylate; Oxopyrrolidinecarboxylic acid; Pidolate; Pidolic acid; Pidolidone; Pyroglutamate; Pyroglutamic acid; Pyrrolidinonecarboxylate; Pyrrolidinonecarboxylic acid; Pyrrolidone-5-carboxylate; Pyrrolidone-5-carboxylic acid; Pyrrolidonecarboxylic acid; (S)-(-)-gamma-Butyrolactam-gamma-carboxylate; (S)-(-)-gamma-Butyrolactam-gamma-carboxylic acidH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +MJ059868 Lincomycin; S-Oxide C18H34N2O7S 422.208672 NA MeJP NA NA +FL1C1ANI0034 Xanthoangelol G;3'-(3,7-Dimethyl-6-hydroxyocta-2,7-dienyl)-4,2'-dihydroxy-4'-methoxychalcone C26H30O5 422.20932 265652-88-8 knapsack NA NA +FL1C28NI0001 5-Deoxyhomoflemingin C26H30O5 422.20932 25146-22-9 knapsack NA NA +FL1CA9NF0005 (-)-Linderol A;Linderol A C26H30O5 422.20932 166983-85-3 knapsack NA NA +FL1CBANI0003 5'-Prenylxanthohumol;3',5'-Diprenyl-4,2',4'-trihydroxy-6-methoxychalcone C26H30O5 422.20932 189299-04-5 knapsack NA NA +FL1DQUNP0002 4-Hydroxyglenoblone C26H30O5 422.20932 104406-78-2 knapsack NA NA +FL2F1LNI0003 Euchrenone a8 C26H30O5 422.20932 130252-51-6 knapsack NA NA +FL2F1LNI0004 Alopecurone G;7,4'-Dihydroxy-8-lavandulyl-2'-methoxyflavanone C26H30O5 422.20932 162558-93-2 knapsack NA NA +FL2FA8NI0007 Kushenol R;(2S)-7,2'-Dihydroxy-8-lavandulyl-5-methoxyflavanone C26H30O5 422.20932 254886-71-0 knapsack NA NA +FL2FABNI0001 5,7-Dihydroxy-4'-methoxy-8,3'-di-C-prenylflavanone;Nimbaflavone C26H30O5 422.20932 93772-44-2 knapsack NA NA +FL2FABNI0008 Abyssinone V 4'-methyl ether;5,7-Dihydroxy-4'-methoxy-3',5'-diprenylflavanone C26H30O5 422.20932 201480-12-8 knapsack NA NA +FL2FBANI0002 Kushenol U;(2S)-7,4'-Dihydroxy-8-lavandulyl-5-methoxyflavanone C26H30O5 422.20932 254886-74-3 knapsack NA NA +FLIC1LNP0012 Nitidulin C26H30O5 422.20932 66446-87-5 knapsack NA NA +FLIDBANI0003 1-Methoxyficifolinol;3,9-Dihydroxy-1-methoxy-2,8-diprenylpterocarpan C26H30O5 422.20932 129280-35-9 knapsack NA NA +MJ059869 1,1'-[Oxybis[ethylidene(6-hydroxy-3,1-phenylene)]]bis[3-methyl-2-buten-1-one] C26H30O5 422.209324 NA MeJP NA NA +MJ059870 1,3,9-Trihydroxy-2,8-diprenylpterocarpan; 1-Me ether C26H30O5 422.209324 NA MeJP NA NA +MJ059871 2',4',7-Trihydroxy-5',8-diprenylflavanone, 4'-Me ether C26H30O5 422.209324 NA MeJP NA NA +MJ059872 2',4',7-Trihydroxy-8-lavandulylflavanone, 2'-Me ether C26H30O5 422.209324 NA MeJP NA NA +MJ059873 2',4,4',6'-Tetrahydroxy-3',5'-diprenylchalcone, 6'-Me ether C26H30O5 422.209324 NA MeJP NA NA +MJ059874 3'-(3,7-Dimethyl-2,6-octadienyl)-2',4,4'-trihydroxychalcone, ?7''-Isomer, 6''?-hydroxy, 4'-Me ether C26H30O5 422.209324 NA MeJP NA NA +MJ059875 3,6a,9-Trihydroxy-2,10-diprenylpterocarpan; 9-Me ether C26H30O5 422.209324 NA MeJP NA NA +MJ059876 4',5,7-Trihydroxy-3',5'-diprenylflavanone, 4'-Me ether C26H30O5 422.209324 NA MeJP NA NA +MJ059877 4',5,7-Trihydroxy-3',8-diprenylflavanone, 4'-Me ether C26H30O5 422.209324 NA MeJP NA NA +MJ059878 4',5,7-Trihydroxy-6,8-diprenylflavanone, 7-Me ether C26H30O5 422.209324 NA MeJP NA NA +MJ059879 4',5,7-Trihydroxy-8-lavandulylflavanone, 5-Me ether C26H30O5 422.209324 NA MeJP NA NA +MJ059880 Cedrelone C26H30O5 422.209324 NA MeJP NA NA +MJ059881 Cordiaquinone C; 2,3-Epoxide C26H30O5 422.209324 NA MeJP NA NA +MJ059882 Ferprenin; 12'-Acetoxy C26H30O5 422.209324 NA MeJP NA NA +MJ059883 Ferprenin; 15'-Acetoxy C26H30O5 422.209324 NA MeJP NA NA +MJ059884 Grenoblone; 4''-Hydroxy C26H30O5 422.209324 NA MeJP NA NA +MJ059885 Homoflemingin; 5-Deoxy C26H30O5 422.209324 NA MeJP NA NA +MJ059886 Kanzonol J C26H30O5 422.209324 NA MeJP NA NA +MJ059887 Kushenol A; 5-Me ether C26H30O5 422.209324 NA MeJP NA NA +MJ059888 Linderol A C26H30O5 422.209324 NA MeJP NA NA +MJ059889 Nassauviachromone; 12-Carboxylic acid, Me ester C26H30O5 422.209324 NA MeJP NA NA +MJ059890 Nitidulin C26H30O5 422.209324 NA MeJP NA NA +MetaCyc03492 5'-prenylxanthohumol [] C26H30O5 422.209324 NA metacyc NA NA +MJ059891 Fludrocortisone; 21-Ac C23H31FO6 422.210466 NA MeJP NA NA +C08186 Fludrocortisone acetate C23H31FO6 422.2105 NA KEGG NA NA +C15256 6alpha-Fluoro-17-hydroxycorticosterone 21-acetate C23H31FO6 422.2105 NA KEGG NA NA +MJ059892 1-Octen-3-ol, O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C19H34O10 422.215197 NA MeJP NA NA +MJ059893 1-Octen-3-ol, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C19H34O10 422.215197 NA MeJP NA NA +C17614 1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside C19H34O10 422.2152 NA KEGG NA NA +PJ001213 LQY C20H30N4O6 422.2165 NA PeJP NA NA +MJ059894 Antibiotic TMC 52; Antibiotic TMC 52A C20H30N4O6 422.216534 NA MeJP NA NA +MJ059895 Antibiotic TMC 52; Antibiotic TMC 52B C20H30N4O6 422.216534 NA MeJP NA NA +MJ059896 Antibiotic WF 14861A C20H30N4O6 422.216534 NA MeJP NA NA +MJ059897 Aspergillus oryzae Cysteine protease inhibitors; CPI 1 C20H30N4O6 422.216534 NA MeJP NA NA +MJ059898 HC Toxin II C20H30N4O6 422.216534 NA MeJP NA NA +PJ001214 GALY C20H30N4O6 422.2166 NA PeJP NA NA +MJ059899 N-(N-L-Arginyl-D-allothreonyl)-L-phenylalanine C19H30N6O5 422.227768 NA MeJP NA NA +PJ001215 TFR C19H30N6O5 422.2278 NA PeJP NA NA +MJ059900 1,7,11,14-Tetrahydroxy-8,15-isopimaradien-18-oic acid, 7-Ac, Me ester C23H34O7 422.230453 NA MeJP NA NA +MJ059901 3,5,11,14,19-Pentahydroxycard-20(22)-enolide C23H34O7 422.230453 NA MeJP NA NA +MJ059902 3,8,10-Trihydroxy-1-oxo-11(13)-germacren-12,6-olide, 3-O-Isopropyl, 8-angeloyl C23H34O7 422.230453 NA MeJP NA NA +MJ059903 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac C23H34O7 422.230453 NA MeJP NA NA +MJ059904 3,8,12,14,20-Pentahydroxypregn-5-en-1-one, 12-Ac C23H34O7 422.230453 NA MeJP NA NA +MJ059905 4,15:6,7-Diepoxy-1,8-dihydroxy-5-hirsutanone, 1-(2-Hydroxyoctanoyl) C23H34O7 422.230453 NA MeJP NA NA +MJ059906 7,15-Dihydroxy-3-cleroden-18,19-olide, 15-O-Malonyl C23H34O7 422.230453 NA MeJP NA NA +MJ059907 7,20-Epoxy-6,7,11,17-tetrahydroxy-15-kauranone, 17-Me ether, 11-Ac C23H34O7 422.230453 NA MeJP NA NA +MJ059908 Brassicene C; 11?-Hydroxy, 12?-acetoxy C23H34O7 422.230453 NA MeJP NA NA +MJ059909 Dysodanthin E; 6-Me ether C23H34O7 422.230453 NA MeJP NA NA +MJ059910 Nodusmicin C23H34O7 422.230453 NA MeJP NA NA +MJ059911 Picrasin C C23H34O7 422.230453 NA MeJP NA NA +C08776 Picrasin C C23H34O7 422.2305 NA KEGG NA NA +C07874 1,4-Bis(2-ethylhexyl) sulfosuccinate C20H38O7S 422.2338 NA KEGG NA NA +MJ059912 1,4-Bis(2-ethylhexyl) sulfosuccinate C20H38O7S 422.233824 NA MeJP NA NA +3769 dipeptidyl carboxypeptidase inhibitor PPLP 422.24 ACE inhibitor Inhouse_peptide NA peptide +7656 ACE inhibitor from wakame IYK 422.241 antioxidative Inhouse_peptide NA peptide +8229 ACE inhibitor IKY 422.241 NA ;SYN:(2S)-2-Aminopropanoate; (2S)-2-Aminopropanoic acid; (S)-(+)-Alanine; (S)-2-Aminopropanoate; (S)-2-Aminopropanoic acid; (S)-2-amino-Propanoate; (S)-2-amino-Propanoic acid; (S)-Alanine; 2-Aminopropanoate; 2-Aminopropanoic acid; 2-Aminopropionate; 2-Aminopropionic acid; 2-Ammoniopropanoate; Ala; Alanine; L-(+)-Alanine; L-2-Aminopropanoate; L-2-Aminopropanoic acid; L-2-Aminopropionate; L-2-Aminopropionic acid; L-a-Alanine; L-a-Aminopropionate; L-a-Aminopropionic acid; a-Alanine; a-Aminopropionate; a-Aminopropionic acid; alpha-Aminopropanoate; alpha-Aminopropanoic acid; L-alpha-Alanine; L-alpha-Aminopropionate; L-alpha-Aminopropionic acid; alpha-Alanine; alpha-Aminopropionate; alpha-Aminopropionic acid; 2-Ammoniopropanoic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +MJ059913 Antibiotic PM 94128 C22H34N2O6 422.241686 NA MeJP NA NA +MJ059914 Baciphelacin C22H34N2O6 422.241686 NA MeJP NA NA +C15061 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol C27H34O4 422.2457 NA KEGG NA NA +MJ059915 15-Hydroxy-16-kauren-19-oic acid, Benzoyl C27H34O4 422.245709 NA MeJP NA NA +MJ059916 2,3-Dihydroxy-23,24,29-trinor-1,3,5(10),7-friedelatetraene-6,21-dione C27H34O4 422.245709 NA MeJP NA NA +MJ059917 2,5-Dihydro-2-(5-hydroxy-1,5-dimethyl-2-oxo-3-hexenyl)-4-methyl-3-(3-methyl-2-butenyl)furan; O-Cinnamoyl C27H34O4 422.245709 NA MeJP NA NA +MJ059918 3-Hydroxy-21,24,29-trinor-2,20-dioxo-20,21-seco-1(10),3,5,7-friedelatetraen-22-al C27H34O4 422.245709 NA MeJP NA NA +MJ059919 Brevione A C27H34O4 422.245709 NA MeJP NA NA +MJ059920 Clusiaparalicoline A C27H34O4 422.245709 NA MeJP NA NA +MJ059921 Cystofuranoquinol; 5-Oxo C27H34O4 422.245709 NA MeJP NA NA +MJ059922 Cystoquinone C27H34O4 422.245709 NA MeJP NA NA +MJ059923 Yezoquinolide C27H34O4 422.245709 NA MeJP NA NA +8285 antioxidative peptide IPIQYVL 422.2465 MH2+ Inhouse_peptide NA peptide +PJ001216 LKY C21H34N4O5 422.2529 NA PeJP NA NA +MJ059924 1,15,19-Trihydroxy-2,6,10-phytatrien-14-one, 1,19-Di-Ac C24H38O6 422.266838 NA MeJP NA NA +MJ059925 12,15,16-Spongianetriol, 15,16-Di-Ac C24H38O6 422.266838 NA MeJP NA NA +MJ059926 15,17-Epoxy-7,17-dihydroxy-16-isocopalanoic acid, 17-Me ether, 7-Ac, Me ester C24H38O6 422.266838 NA MeJP NA NA +MJ059927 15-Isopimarene-2,3,7,8-tetrol, 2,7-Di-Ac C24H38O6 422.266838 NA MeJP NA NA +MJ059928 2,15-Dihydroxy-1(10)-halimen-18-oic acid, Di-Ac C24H38O6 422.266838 NA MeJP NA NA +MJ059929 2,7-Dolabelladiene-5,6,10,18-tetrol, 5,6-Di-Ac C24H38O6 422.266838 NA MeJP NA NA +MJ059930 2,9:3,16-Diepoxy-7,11-dihydroxy-4-asbestinanone, 11-Butanoyl C24H38O6 422.266838 NA MeJP NA NA +MJ059931 2-[3-(3-Butylcyclopentyl)-3-hydroxy-1-propenyl]-3-hydroxy-3,5-dioxocyclopentaneheptanoic acid C24H38O6 422.266838 NA MeJP NA NA +MJ059932 3,15-Dihydroxy-8(17)-labden-19-oic acid, Di-Ac C24H38O6 422.266838 NA MeJP NA NA +MJ059933 3,4-Epoxy-7-dolabellene-10,18-diol, 7?,8?-Epoxide, di-Ac C24H38O6 422.266838 NA MeJP NA NA +MJ059934 5-Rosene-3,15,16,19-tetrol, 3,19-Di-Ac C24H38O6 422.266838 NA MeJP NA NA +MJ059935 6,13-Epoxy-8(19)-eunicellene-4,9,12-triol, 4,12-Di-Ac C24H38O6 422.266838 NA MeJP NA NA +MJ059936 7,15-Dihydroxy-8-labden-17-oic acid, Di-Ac C24H38O6 422.266838 NA MeJP NA NA +MJ059937 8(17),13-Labdadiene-2,7,15,19-tetrol, 15,19-Di-Ac C24H38O6 422.266838 NA MeJP NA NA +MJ059938 8,13-Epoxy-14-labdene-3,6,7-triol, 3,6-Di-Ac C24H38O6 422.266838 NA MeJP NA NA +MJ059939 8,13-Epoxy-14-labdene-3,6,7-triol, 3,7-Di-Ac C24H38O6 422.266838 NA MeJP NA NA +MJ059940 8,13-Epoxy-14-labdene-3,6,7-triol, 3,6-Di-Ac C24H38O6 422.266838 NA MeJP NA NA +MJ059941 Ancepsenolide, 3,4-Dihydro, 4-acetoxy C24H38O6 422.266838 NA MeJP NA NA +MJ059942 N-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-N-2-pyridinylcyclohexanecarboxamide C25H34N4O2 422.268176 NA MeJP NA NA +MJ059943 Glutamine, N-(17?-Hydroxy-9Z,12Z,15Z-octadecatrienoyl) C23H38N2O5 422.278072 NA MeJP NA NA +C16345 Volicitin C23H38N2O5 422.2781 NA KEGG NA NA +HMDB11142 DHAP(18:0e) C21H43O6P 422.279724 NA HMDB2010 NA NA +MJ059944 14-Hydroxyergosta-4,7,9(11),22-tetraene-3,6-dione C28H38O3 422.282095 NA MeJP NA NA +MJ059945 17-Hydroxyestr-4-en-3-one; 17?-form, 17-(4-Methylbicyclo[2.2.2]oct-2-ene-1-carboxylate) C28H38O3 422.282095 NA MeJP NA NA +MJ059946 2,15-Dihydroxy-24,28-dinor-1,4,12-oleanatriene-3,16-dione; 15?-form, 15-Deoxy C28H38O3 422.282095 NA MeJP NA NA +MJ059947 5-Hydroxy-7-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-2(3H)-benzofuranone C28H38O3 422.282095 NA MeJP NA NA +MJ059948 Canarol C28H38O3 422.282095 NA MeJP NA NA +MJ059949 Emmolactone C28H38O3 422.282095 NA MeJP NA NA +MJ059950 Iguesterin; 20?,21-Dihydro, 29-hydroxy C28H38O3 422.282095 NA MeJP NA NA +MJ059951 Iguesterin; 7,8-Dihydro, 7?-hydroxy C28H38O3 422.282095 NA MeJP NA NA +MJ059952 Minabeolide 1 C28H38O3 422.282095 NA MeJP NA NA +MJ059953 Russulaflavidin; 19,20-Dihydro C28H38O3 422.282095 NA MeJP NA NA +MJ059954 4,6-Dihydroxy-15-clerodanoic acid, 6-Angeloyl C25H42O5 422.303224 NA MeJP NA NA +MJ059955 8(17),14-Labdadien-13-ol, 13-O-?-D-Xylopyranonide C25H42O5 422.303224 NA MeJP NA NA +MJ059956 8(17)-Labdene-13,14,15-triol, 15-Ac, 14-propanoyl C25H42O5 422.303224 NA MeJP NA NA +MJ059957 8-Labden-15-oic acid, (2-Acetylglyceryl) ester C25H42O5 422.303224 NA MeJP NA NA +MJ059958 8-Labden-15-oic acid, (3-Acetylglyceryl) ester C25H42O5 422.303224 NA MeJP NA NA +MJ059959 Amphidinolide T1 C25H42O5 422.303224 NA MeJP NA NA +MJ059960 Amphidinolide T3 C25H42O5 422.303224 NA MeJP NA NA +MJ059961 Hurghaperoxide C25H42O5 422.303224 NA MeJP NA NA +MJ059962 Muqubilin B C25H42O5 422.303224 NA MeJP NA NA +MJ059963 Azimine C24H42N2O4 422.314457 NA MeJP NA NA +MJ059964 3-Hydroxy-28-nor-11,13(18),17(22)-oleanatrien-21-one; 3?-form C29H42O2 422.31848 NA MeJP NA NA +MJ059965 Agelas nakamurai Thelepogane-purine alkaloid C26H40N5 422.328371 NA MeJP NA NA +MJ059966 27-Norcholestane-3,7,12,24-tetrol C26H46O4 422.339609 NA MeJP NA NA +MJ059967 1,14-Taraxeradien-3-one C30H46O 422.354866 NA MeJP NA NA +MJ059968 1,20(29)-Lupadien-3-ol, 3-Ketone C30H46O 422.354866 NA MeJP NA NA +MJ059969 11,13(18)-Oleanadien-3-ol, 3-Ketone C30H46O 422.354866 NA MeJP NA NA +MJ059970 5,20(29)-Lupadien-3-ol, 3-Ketone C30H46O 422.354866 NA MeJP NA NA +MJ059971 9(11),12-Oleanadien-3-ol, 3-Ketone C30H46O 422.354866 NA MeJP NA NA +MJ059972 9(11),12-Ursadien-3-ol, 3-Ketone C30H46O 422.354866 NA MeJP NA NA +MJ059973 Cycloarta-23,25-dien-3-one C30H46O 422.354866 NA MeJP NA NA +MJ059974 Furospinulosin 2 C30H46O 422.354866 NA MeJP NA NA +MJ059975 Lanosta-7,9(11),24-trien-3-ol, 3-Ketone C30H46O 422.354866 NA MeJP NA NA +MJ059976 23,29-Imino-B(9a)-homo-19-norstigmasta-1(10),7,9(11),23(N)-tetraen-3-amine, 9,11-Dihydro C29H46N2 422.366099 NA MeJP NA NA +MJ059977 Plakinamine A C29H46N2 422.366099 NA MeJP NA NA +C16894 Plakinamine A C29H46N2 422.3661 NA KEGG NA NA +MJ059978 10,12-Octacosanedione C28H54O2 422.41238 NA MeJP NA NA +MJ059979 10-Octacosenoic acid C28H54O2 422.41238 NA MeJP NA NA +MJ059980 11,13-Octacosanedione C28H54O2 422.41238 NA MeJP NA NA +MJ059981 11-Oxooctacosanal C28H54O2 422.41238 NA MeJP NA NA +MJ059982 12,14-Octacosanedione C28H54O2 422.41238 NA MeJP NA NA +MJ059983 13-Oxooctacosanal C28H54O2 422.41238 NA MeJP NA NA +MJ059984 19-Octacosenoic acid C28H54O2 422.41238 NA MeJP NA NA +MJ059985 21-Octacosenoic acid C28H54O2 422.41238 NA MeJP NA NA +MJ059986 23-Hydroxy-5-octacosen-3-one C28H54O2 422.41238 NA MeJP NA NA +MJ059987 23-Octacosenoic acid C28H54O2 422.41238 NA MeJP NA NA +MJ059988 5,7-Octacosanedione C28H54O2 422.41238 NA MeJP NA NA +MJ059989 5-Octacosenoic acid C28H54O2 422.41238 NA MeJP NA NA +MJ059990 6,8-Octacosanedione C28H54O2 422.41238 NA MeJP NA NA +MJ059991 7,9-Octacosanedione C28H54O2 422.41238 NA MeJP NA NA +MJ059992 7-Oxooctacosanal C28H54O2 422.41238 NA MeJP NA NA +MJ059993 8,10-Octacosanedione C28H54O2 422.41238 NA MeJP NA NA +MJ059994 9-Octacosenoic acid C28H54O2 422.41238 NA MeJP NA NA +MJ059995 9-Oxooctacosanal C28H54O2 422.41238 NA MeJP NA NA +MJ059996 1-Cyclohexyl-4-tricosanol C29H58O 422.448766 NA MeJP NA NA +MJ059997 10-Nonacosanone C29H58O 422.448766 NA MeJP NA NA +MJ059998 12-Nonacosanone C29H58O 422.448766 NA MeJP NA NA +MJ059999 13-Nonacosanone C29H58O 422.448766 NA MeJP NA NA +MJ060000 15-Nonacosanone C29H58O 422.448766 NA MeJP NA NA +MJ060001 2-Nonacosanone C29H58O 422.448766 NA MeJP NA NA +MJ060002 3,11-Dimethyl-2-heptacosanone C29H58O 422.448766 NA MeJP NA NA +MJ060003 3,7-Dimethyl-2-heptacosanone C29H58O 422.448766 NA MeJP NA NA +MJ060004 5-Nonacosanone C29H58O 422.448766 NA MeJP NA NA +MJ060005 6-Nonacosanone C29H58O 422.448766 NA MeJP NA NA +C08386 Nonacosan-10-one C29H58O 422.4488 NA KEGG NA NA +MJ060006 4-Methylnonacosane C30H62 422.485151 NA MeJP NA NA +MJ060007 Triacontane C30H62 422.485152 NA MeJP NA NA +C13817 8-Br-cGMP C10H11BrN5O7P 422.9579 NA KEGG NA NA +MJ060008 5-Amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-1H-1,2,3-triazole-4-carboxamide C17H12Cl3N5O2 423.005657 NA MeJP NA NA +MJ060009 Coscinamide A; 7-Hydroxy C20H14BrN3O3 423.021853 NA MeJP NA NA +MJ060010 3-(Methylthio)propyl glucosinolate; S-Oxide C11H21NO10S3 423.032757 NA MeJP NA NA +MetaCyc03493 3-methylsulfinylpropyl-glucosinolate [glucoiberin;] C11H21N1O10S3 423.032758 NA metacyc NA NA +C08411 Glucoiberin C11H21NO10S3 423.0328 NA KEGG NA NA +MJ060011 Cefapirin C17H17N3O6S2 423.055876 NA MeJP NA NA +C06896 Cephapirin C17H17N3O6S2 423.0559 NA KEGG NA NA +MJ060012 2-Phenylethyl glucosinolate C15H21NO9S2 423.065772 NA MeJP NA NA +C08417 Gluconasturtiin C15H21NO9S2 423.0658 NA KEGG NA NA +MJ060013 Antibiotic PB 5266C C12H17N5O10S 423.069612 NA MeJP NA NA +MJ060014 Xanthommatin C20H13N3O8 423.070264 NA MeJP NA NA +MetaCyc03494 xanthommatin [] C20H13N3O8 423.070264 521-58-4 metacyc NA NA +C01969 Xanthommatin C20H13N3O8 423.0703 NA KEGG NA NA +MJ060015 Cefuracetime C17H17N3O8S 423.073635 NA MeJP NA NA +MJ060016 Adociaquinone A C22H17NO6S 423.077657 NA MeJP NA NA +MJ060017 Prinomastat C18H21N3O5S2 423.092262 NA MeJP NA NA +MJ060018 S-(1,2-Dicarboxyethyl)glutathione C14H21N3O10S 423.094764 NA MeJP NA NA +MJ060019 Fibrostatins; Fibrostatin B C19H21NO8S 423.098787 NA MeJP NA NA +PJ001217 GCNM C14H25N5O6S2 423.1246 NA PeJP NA NA +PJ001218 GGGCM C14H25N5O6S2 423.1247 NA PeJP NA NA +C10990 Flumiclorac pentyl C21H23ClFNO5 423.1249 NA KEGG NA NA +MJ060020 Maremycin F C22H21N3O4S 423.125276 NA MeJP NA NA +MJ060021 8-Oxocorynoline; Natural-form, Ac C23H21NO7 423.131802 NA MeJP NA NA +PJ001219 SSCQ C14H25N5O8S 423.1424 NA PeJP NA NA +7921 synthetic peptide MHH 423.1564 antioxidative Inhouse_peptide NA peptide +MJ060022 Coelenterazine C26H21N3O3 423.158291 NA MeJP NA NA +MetaCyc03495 renilla luciferin [] C26H21N3O3 423.158292 NA metacyc NA NA +MetaCyc03496 oplophorus luciferin [] C26H21N3O3 423.158292 NA metacyc NA NA +C15037 Oplophorus luciferin C26H21N3O3 423.1583 NA KEGG NA NA +PJ001220 GSSSS C14H25N5O10 423.1602 NA PeJP NA NA +PJ001221 ACCK C15H29N5O5S2 423.161 NA PeJP NA NA +MJ060023 1-[[4,5-Bis(4-methoxyphenyl)-2-thiazolyl]carbonyl]4-methylpiperazine C23H25N3O3S 423.161662 NA MeJP NA NA +C06870 Carbidopa-levodopa C10H14N2O4 423.1642 NA KEGG NA NA +PJ001222 EEF C19H25N3O8 423.1642 NA PeJP NA NA +MJ060024 8-Acetonylcorynoline C24H25NO6 423.168187 NA MeJP NA NA +C12223 N-Methyl-2,3,7,8-tetramethoxy-5,6-dihydrobenzophenathridine-6- C24H25NO6 423.1682 NA KEGG NA NA +PJ001223 MHH C17H25N7O4S 423.1689 NA PeJP NA NA +MJ060025 2-Hydroxy-2-methylbutanoic acid, Nitrile, O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C17H29NO11 423.17406 NA MeJP NA NA +C08336 Neolinustatin C17H29NO11 423.1741 NA KEGG NA NA +PJ001224 NQY C18H25N5O7 423.1754 NA PeJP NA NA +PJ001225 SSCK C15H29N5O7S 423.1788 NA PeJP NA NA +MJ060026 N-[3-Amino-4-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethoxy]phenyl]methanesulfonamide C20H29N3O5S 423.182791 NA MeJP NA NA +C03860 Deaminohydroxyblasticidin S C17H25N7O6 423.1866 NA KEGG NA NA +MetaCyc03497 deaminohydroxyblasticidin S [] C17H25N7O6 423.186632 NA metacyc NA NA +PJ001226 GPNH C17H25N7O6 423.1867 NA PeJP NA NA +8227 ACE inhibitor IEY 423.189 NA ;SYN:(-)-beta-Phenylalanine; (L)-Phenylalanine; (S)-(-)-Phenylalanine; (S)-2-Amino-3-phenylpropionate; (S)-2-Amino-3-phenylpropionic acid; (S)-2-amino-3-phenylpropanoate; (S)-2-amino-3-phenylpropanoic acid; (S)-Phenylalanine; (S)-alpha-Amino-benzenepropanoate; (S)-alpha-Amino-benzenepropanoic acid; (S)-alpha-Amino-beta-phenylpropionate; (S)-alpha-Amino-beta-phenylpropionic acid; (S)-alpha-Aminobenzenepropanoate; (S)-alpha-Aminobenzenepropanoic acid; (S)-alpha-Aminohydrocinnamate; (S)-alpha-Aminohydrocinnamic acid; 3-Phenyl-L-alanine; L-2-Amino-3-phenylpropionate; L-2-Amino-3-phenylpropionic acid; Phe; Phenylalamine; Phenylalanine; alpha-Aminohydrocinnamate; alpha-Aminohydrocinnamic acid; beta-Phenyl-L-alanine; beta-Phenyl-alpha-alanine; beta-Phenylalanine; phenyl-AlanineH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +MJ060027 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl) C21H29NO8 423.189316 NA MeJP NA NA +MJ060028 Ligularizine C21H29NO8 423.189316 NA MeJP NA NA +MJ060029 Otosenine; Ac C21H29NO8 423.189316 NA MeJP NA NA +MJ060030 Petasitenine; Ac C21H29NO8 423.189316 NA MeJP NA NA +MJ060031 Senkirkine; 15E-Isomer, 21-acetoxy C21H29NO8 423.189316 NA MeJP NA NA +MJ060032 Senkirkine; 19-Acetoxy C21H29NO8 423.189316 NA MeJP NA NA +MJ060033 Butanserin C24H26FN3O3 423.195819 NA MeJP NA NA +C15067 4-Chloro-alpha-[4-[2-(diethylamino)ethoxy]phenyl]-alpha- C26H30ClNO2 423.1965 NA KEGG NA NA +MJ060034 Antibiotic A 9145H C16H25N9O5 423.197864 NA MeJP NA NA +7655 ACE inhibitor from wakame YNK 423.1999 antioxidative Inhouse_peptide NA peptide +MJ060035 Amicoumacin B; Amide C20H29N3O7 423.20055 NA MeJP NA NA +MJ060036 Antibiotic AI 77A C20H29N3O7 423.20055 NA MeJP NA NA +PJ001227 LEY C20H29N3O7 423.2006 NA PeJP NA NA +MJ060037 2,3,4,6,7-Pentamethoxyphenanthroindolizidine C25H29NO5 423.204573 NA MeJP NA NA +MJ060038 Lagerine C25H29NO5 423.204573 NA MeJP NA NA +MJ060039 Lasubine I; 9a-Epimer, O3'-de-Me, 2-O-(4-hydroxycinnamoyl) C25H29NO5 423.204573 NA MeJP NA NA +MJ060040 Lasubine I; O3'-De-Me, 2-O-(4-hydroxycinnamoyl) C25H29NO5 423.204573 NA MeJP NA NA +MJ060041 Vertaline, 5-Epimer, O23-de-Me C25H29NO5 423.204573 NA MeJP NA NA +MJ060042 Vertaline, O23-De-Me C25H29NO5 423.204573 NA MeJP NA NA +MJ060043 Verticillatine; 12,13-Dihydro C25H29NO5 423.204573 NA MeJP NA NA +MJ060044 Verticillatine; 5-Epimer, 12,13-dihydro C25H29NO5 423.204573 NA MeJP NA NA +MJ060045 Latrunculin S C22H33NO5S 423.207943 NA MeJP NA NA +PJ001228 NKY C19H29N5O6 423.2118 NA PeJP NA NA +C17728 Idanpramine C24H29N3O4 423.2158 NA KEGG NA NA +MJ060046 Idanpramine C24H29N3O4 423.215806 NA MeJP NA NA +MJ060047 Delboxine; 8,14-Di-O-de-Me C22H33NO7 423.225702 NA MeJP NA NA +MJ060048 Scorpioidine; O7-Ac C22H33NO7 423.225702 NA MeJP NA NA +MJ060049 Sturamustine C22H34ClN3O3 423.228869 NA MeJP NA NA +HMDB11471 LysoPE(0:0/14:1(9Z)) C19H38NO7P 423.238586 NA HMDB2010 NA NA +HMDB11501 LysoPE(14:1(9Z)/0:0) C19H38NO7P 423.238586 NA HMDB2010 NA NA +EUR814 Lyso PE 14:1 monoisotopic mass C19H38NO7P 423.238592 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR814 Lyso PE 14:1 monoisotopic mass C19H38NO7P 423.238592 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR814 Lyso PE 14:1 monoisotopic mass C19H38NO7P 423.238592 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR814 Lyso PE 14:1 monoisotopic mass C19H38NO7P 423.238592 masses lipides attendues Inhousejuil11 NA NA +MJ060050 Cyprenorphine C26H33NO4 423.240958 NA MeJP NA NA +C12335 Militarinone C C26H33NO4 423.241 NA KEGG NA NA +MJ060051 Valylamiclenomycylglutamine C20H33N5O5 423.248169 NA MeJP NA NA +MJ060052 Deoxymalyngamide C; 8-Deoxy C24H38ClNO3 423.254021 NA MeJP NA NA +MJ060053 Malyngamide F; 7-Deoxy C24H38ClNO3 423.254021 NA MeJP NA NA +MJ060054 Acoseptrine; 10-Deoxy C23H37NO6 423.262087 NA MeJP NA NA +MJ060055 Dihydrogadesine C23H37NO6 423.262087 NA MeJP NA NA +MJ060056 Lappaconidine; O1-Me C23H37NO6 423.262087 NA MeJP NA NA +MJ060057 Neoline; O18-De-Me C23H37NO6 423.262087 NA MeJP NA NA +MJ060058 Senbusine A C23H37NO6 423.262087 NA MeJP NA NA +MJ060059 Senbusine B C23H37NO6 423.262087 NA MeJP NA NA +MJ060060 Talatizamine; 10-Hydroxy, O1-de-Me C23H37NO6 423.262087 NA MeJP NA NA +MJ060061 Virescenine C23H37NO6 423.262087 NA MeJP NA NA +MJ060062 Antibiotic BE 14106 C27H37NO3 423.277344 NA MeJP NA NA +MJ060063 Jervine; 3-Ketone C27H37NO3 423.277344 NA MeJP NA NA +MJ060064 Ussuriedine C27H37NO3 423.277344 NA MeJP NA NA +MJ060065 Agelasidine B C23H41N3O2S 423.291948 NA MeJP NA NA +MJ060066 Agelasidine C C23H41N3O2S 423.291948 NA MeJP NA NA +MJ060067 Asmarine B C25H37N5O 423.29981 NA MeJP NA NA +MJ060068 Aflavinine; 10,11-Dihydro, 24-hydroxy C28H41NO2 423.313729 NA MeJP NA NA +MJ060069 Radarin B C28H41NO2 423.313729 NA MeJP NA NA +HMDB06461 Linoelaidyl carnitine C25H45NO4 423.334869 NA HMDB2010 NA NA +HMDB06469 Linoleyl carnitine C25H45NO4 423.334869 NA HMDB2010 NA NA +HMDB06461 Linoelaidyl carnitine C25H45NO4 423.33487 http://www.hmdb.ca/metabolites/HMDB06461 HMDB NA NA +HMDB06469 Linoleyl carnitine C25H45NO4 423.33487 http://www.hmdb.ca/metabolites/HMDB06469 HMDB NA NA +HMDB06469 Linoleyl carnitine C25H45NO4 423.33487 NA ;SYN:(-)-Aspartic acid; (2R)-2-Aminobutanedioic acid; (R)-2-Aminobutanedioic acid; (R)-2-Aminosuccinic acid; (R)-Aspartic acid; 1-Amino-1,2-carboxyethane; aspartic acid; D-(-)-Aspartic acid; D-aspartate; D-Asparaginsaeure; D-aspartic acid; delta-asparaginsaeure; delta-aspartic acid; Lopac-alpha-9256; Tocris-0213; delta-(-)-Aspartic acid; (2R)-2-Aminobutanedioate; (R)-2-Aminobutanedioate; delta-aspartateH2Blood; Urine Inhouse_peptide NA peptide +HMDB06461 Linoelaidyl carnitine C25H45NO4 423.33487 HMDB06461 PFEM_hmdb_metabocards_official NA NA +HMDB06469 Linoleyl carnitine C25H45NO4 423.33487 HMDB06469 PFEM_hmdb_metabocards_official NA NA +MJ060070 Ethylhexadecyldimethylammonium(1+); Ethyl sulfate C22H49NO4S 423.338229 NA MeJP NA NA +MJ060071 Gallamine C24H45N3O3 423.346092 NA MeJP NA NA +8085 peptide derived from tuna cooking juice VDHDHPE 423.6659 MH2+ Inhouse_peptide NA peptide +MJ060072 1,4,6-Tribromo-7-chloro-3,7-dimethyl-1-octen-3-ol C10H16Br3ClO 423.84398 NA MeJP NA NA +PARAC024 UNKNOWN signif manip paracetamol NA 423.8968 RT0.6 PFEM_hmdb_metabocards_urine NA urine +PARAC024 UNKNOWN signif manip paracetamol NA 423.8968 RT0.6 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC024 UNKNOWN signif manip paracetamol NA 423.8968 RT0.6 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC024 UNKNOWN signif manip paracetamol NA 423.8968 RT0.6 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC024 UNKNOWN signif manip paracetamol NA 423.8968 RT0.6 HMDB NA NA +PARAC024 UNKNOWN signif manip paracetamol NA 423.8968 RT0.6 Inhouse_PFEM NA NA +PARAC024 UNKNOWN signif manip paracetamol NA 423.8968 RT0.6 PFEM_hmdb_metabocards_blood NA blood +PARAC024 UNKNOWN signif manip paracetamol NA 423.8968 RT0.6 PFEM_hmdb_metabocards_official NA NA +MJ060073 Obtusallene II C15H19Br2ClO2 423.944032 NA MeJP NA NA +MJ060074 Dysideathiazole; 10-Dechloro C13H17Cl5N2OS 423.950422 NA MeJP NA NA +MJ060075 2-Bromoadenosine; 5'-O-Sulfamoyl C10H13BrN6O6S 423.980065 NA MeJP NA NA +MJ060076 Antibiotic TAN 2421A1; 5-Dechloro C18H13ClO8S 424.001965 NA MeJP NA NA +MJ060077 Antibiotic TAN 2421A1; 7-Dechloro C18H13ClO8S 424.001965 NA MeJP NA NA +MJ060078 Dysamide A; 3'-Dechloro C14H21Cl5N2O2 424.004566 NA MeJP NA NA +MJ060079 Valoneic dilactone dioxine C20H8O11 424.006661 NA MeJP NA NA +MJ060080 Bisezakyne B C17H23BrCl2O3 424.020762 NA MeJP NA NA +MJ060081 Laurencienyne C17H23BrCl2O3 424.020762 NA MeJP NA NA +MJ060082 Rogiolenyne B; 4-Ac C17H23BrCl2O3 424.020762 NA MeJP NA NA +MJ060083 Diospyrin; 3'-Chloro, 2'-hydroxy C22H13ClO7 424.03498 NA MeJP NA NA +EUR207 thiamin pyrophosphate C12H18N4O7P2S 424.0371 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR207 thiamin pyrophosphate C12H18N4O7P2S 424.0371 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR207 thiamin pyrophosphate C12H18N4O7P2S 424.0371 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR207 thiamin pyrophosphate C12H18N4O7P2S 424.0371 Wishlist Inhousejuil11 NA NA +MJ060084 Thiamine diphosphate C12H18N4O7P2S 424.037142 NA MeJP NA NA +EUR207 Thiamin pyrophosphate C12H18N4O7P2S 424.037149 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR207 Thiamin pyrophosphate C12H18N4O7P2S 424.037149 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR207 Thiamin pyrophosphate C12H18N4O7P2S 424.037149 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR207 Thiamin pyrophosphate C12H18N4O7P2S 424.037149 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR207 Thiamin pyrophosphate C12H18N4O7P2S 424.037149 Wishlist HMDB NA NA +EUR207 Thiamin pyrophosphate C12H18N4O7P2S 424.037149 Wishlist Inhouse_PFEM NA NA +EUR207 Thiamin pyrophosphate C12H18N4O7P2S 424.037149 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR207 Thiamin pyrophosphate C12H18N4O7P2S 424.037149 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR239 Thiamin pyrophosphate F1 NA 424.038675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR239 Thiamine pyrophosphate F1 NA 424.038675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR239 Thiamin pyrophosphate F1 NA 424.038675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR239 Thiamine pyrophosphate F1 NA 424.038675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR239 Thiamin pyrophosphate F1 NA 424.038675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR239 Thiamine pyrophosphate F1 NA 424.038675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR239 Thiamin pyrophosphate F1 NA 424.038675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR239 Thiamin pyrophosphate F1 NA 424.038675 standards wishlist analysés sur QTOF HMDB NA NA +EUR239 Thiamin pyrophosphate F1 NA 424.038675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR239 Thiamine pyrophosphate F1 NA 424.038675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR239 Thiamin pyrophosphate F1 NA 424.038675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR239 Thiamin pyrophosphate F1 NA 424.038675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ060085 Sulosemide C17H16N2O7S2 424.039892 NA MeJP NA NA +FL5FCFGSS001 Quercetin 7,3',4'-trimethyl ether 3-sulfate;2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-3-(sulfooxy)-4H-1-Benzopyran-4-one C18H16O10S 424.04641 221662-11-9 knapsack NA NA +FL5FEANSS004 Mikanin 3-O-sulfate C18H16O10S 424.04641 129419-17-6 knapsack NA NA +MJ060086 3,4',5,6,7-Pentahydroxyflavone; 4',6,7-Tri-Me ether, 3-O-sulfate C18H16O10S 424.046417 NA MeJP NA NA +MJ060087 3,5-Dihydroxy-3',4',7-trimethoxyflavone; 3-O-Sulfate C18H16O10S 424.046417 NA MeJP NA NA +MJ060088 Zoficonazole C20H19Cl3N2O2 424.05121 NA MeJP NA NA +MJ060089 Carpetimycin A; 1',2'-Dihydro, O-sulfate C14H20N2O9S2 424.061021 NA MeJP NA NA +MJ060090 Cefuroxime C16H16N4O8S 424.068884 NA MeJP NA NA +C06894 Cefuroxime C16H16N4O8S 424.0689 NA KEGG NA NA +MJ060091 Kotalanol C12H24O12S2 424.070917 NA MeJP NA NA +MJ060092 Epicorazine A; 2,2',3,3'-Tetradehydro C18H20N2O6S2 424.076277 NA MeJP NA NA +FL4DAANC0004 Hypnum acid;3,5,7,4'-Tetrahydroxyflavanone 3'-(4-hydroxybenzoic acid) C22H16O9 424.07943 156250-63-4 knapsack NA NA +FL631CNC0001 6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one C22H16O9 424.07943 126655-06-9 knapsack NA NA +MJ060093 1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 1,2-Di-Ac C22H16O9 424.079432 NA MeJP NA NA +MJ060094 6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy[2]benzopyrano[3,4-c][1]benzopyran-8(6H)-one C22H16O9 424.079432 NA MeJP NA NA +MJ060095 9-[(2,3-Dihydro-6-hydroxy-2-(hydroxymethyl)-3-benzofuranyl)oxy]-3,10-dihydroxy-6H-dibenzo[b,d]pyran-6-one; 5'-Hydroxy C22H16O9 424.079432 NA MeJP NA NA +MJ060096 Hypnum acid C22H16O9 424.079432 NA MeJP NA NA +MJ060097 Mirabazole C C18H24N4S4 424.088379 NA MeJP NA NA +MJ060098 Hamigeran A C20H25BrO5 424.088536 NA MeJP NA NA +PJ001229 PCCC C14H24N4O5S3 424.0909 NA PeJP NA NA +MJ060099 Peniophorin C26H16O6 424.094688 NA MeJP NA NA +MJ060100 Dulozafone C20H22Cl2N2O4 424.095662 NA MeJP NA NA +MJ060101 3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone C19H20O11 424.100561 NA MeJP NA NA +MJ060102 3-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one; 1'-O-(4-Hydroxybenzoyl), 3-O-?-D-glucopyranoside C19H20O11 424.100561 NA MeJP NA NA +MJ060103 4-Glucopyranosyl-2,3,4',5,6-pentahydroxybenzophenone C19H20O11 424.100561 NA MeJP NA NA +MJ060104 4-Glucosyl-2,3,3',5,6-pentahydroxybenzophenone C19H20O11 424.100561 NA MeJP NA NA +MJ060105 Arbutin; 2-O-(3,4,5-Trihydroxybenzoyl) C19H20O11 424.100561 NA MeJP NA NA +MJ060106 Arbutin; 4'-O-(3,4,5-Trihydroxybenzoyl) C19H20O11 424.100561 NA MeJP NA NA +MJ060107 Arbutin; 6-O-(3,4,5-Trihydroxybenzoyl) C19H20O11 424.100561 NA MeJP NA NA +MJ060108 Equisetumpyrone C19H20O11 424.100561 NA MeJP NA NA +PJ001230 GCDM C14H24N4O7S2 424.1087 NA PeJP NA NA +FLIFWYNP0001 6-Hydroxy-6a,12a-dehydro-alpha-toxicarol C23H20O8 424.11581 82799-75-5 knapsack NA NA +MJ060109 1,6:4,5-Diepoxy-2,3-dihydroxy-1-cyclohexanemethanol, 1',3-Dibenzoyl, 2-Ac C23H20O8 424.115817 NA MeJP NA NA +MJ060110 Aflavarin; 1''-Deoxy, 7-De-O-Me C23H20O8 424.115817 NA MeJP NA NA +MJ060111 Antibiotic A 35566B C23H20O8 424.115817 NA MeJP NA NA +MJ060112 Desertorin A; 7-Me ether C23H20O8 424.115817 NA MeJP NA NA +MJ060113 Diphyllin; 6-Methoxy, Me ether C23H20O8 424.115817 NA MeJP NA NA +MJ060114 Isokotanin A; 7-De-O-Me C23H20O8 424.115817 NA MeJP NA NA +MJ060115 Justicidin P C23H20O8 424.115817 NA MeJP NA NA +MJ060116 Kotanin; 7'-De-O-Me C23H20O8 424.115817 NA MeJP NA NA +MJ060117 Orcinyl lecanorate C23H20O8 424.115817 NA MeJP NA NA +MJ060118 Phyllamyricin E; 6'-Methoxy C23H20O8 424.115817 NA MeJP NA NA +MJ060119 Sulfurmycin A; Aglycone, 4-deoxy C23H20O8 424.115817 NA MeJP NA NA +MJ060120 Sumatrol; 6a,12a-Didehydro, 6?-hydroxy C23H20O8 424.115817 NA MeJP NA NA +MJ060121 ?-Peltatin; 7,7',8,8'-Tetradehydro, di-Me ether C23H20O8 424.115817 NA MeJP NA NA +MJ060122 ?-Toxicarol; 7a,13a-Didehydro, 13?-hydroxy C23H20O8 424.115817 NA MeJP NA NA +MJ060123 Gedocarnil C23H21ClN2O4 424.118984 NA MeJP NA NA +MJ060124 Podolactone C C20H24O8S 424.119188 NA MeJP NA NA +MJ060125 Bromovulone I C21H29BrO4 424.124922 NA MeJP NA NA +PJ001231 SSCE C14H24N4O9S 424.1264 NA PeJP NA NA +MJ060126 Adifoline C22H20N2O7 424.127051 NA MeJP NA NA +MJ060127 Neoadifoline C22H20N2O7 424.127051 NA MeJP NA NA +C09020 Adifoline C22H20N2O7 424.1271 NA KEGG NA NA +MJ060128 Furbucillin C19H24N2O7S 424.130421 NA MeJP NA NA +MJ060129 Calanone C27H20O5 424.131073 NA MeJP NA NA +MJ060130 Isocalanone C27H20O5 424.131073 NA MeJP NA NA +MJ060131 Teysmanone A C27H20O5 424.131073 NA MeJP NA NA +C07602 Ginkgolide B C20H24O10 424.1369 NA KEGG NA NA +C07604 Ginkgolide J C20H24O10 424.1369 NA KEGG NA NA +C09309 Rutarin C20H24O10 424.1369 NA KEGG NA NA +C16816 Ginkgolide M C20H24O10 424.1369 NA KEGG NA NA +MJ060132 2,3-Dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, 1'-O-?-D-Galactopyranoside C20H24O10 424.136946 NA MeJP NA NA +MJ060133 2,3-Dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, 1'-O-?-D-Glucopyranoside C20H24O10 424.136946 NA MeJP NA NA +MJ060134 2-(1,2-Dihydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one, 2'-O-?-D-Glucopyranoside C20H24O10 424.136946 NA MeJP NA NA +MJ060135 5,7-Dihydroxy-2,6,8-trimethyl-4H-1-benzopyran-4-one; 7-O-(6-O-Acetyl-?-D-glucopyranoside) C20H24O10 424.136946 NA MeJP NA NA +MJ060136 Arnottianin; O-De-Me, 2'-O-?-D-glucopyranoside C20H24O10 424.136946 NA MeJP NA NA +MJ060137 Celereoin; 3'-O-?-D-Glucopyranoside C20H24O10 424.136946 NA MeJP NA NA +MJ060138 Eurycomanol; 2-Ketone, 13?,18-epoxide C20H24O10 424.136946 NA MeJP NA NA +MJ060139 Ginkgolide C; 1-Deoxy C20H24O10 424.136946 NA MeJP NA NA +MJ060140 Ginkgolide C; 3-Deoxy C20H24O10 424.136946 NA MeJP NA NA +MJ060141 Ginkgolide C; 7-Deoxy C20H24O10 424.136946 NA MeJP NA NA +MJ060142 Khellactone, 9-O-?-D-Glucopyranoside C20H24O10 424.136946 NA MeJP NA NA +MJ060143 Picrodendrin B C20H24O10 424.136946 NA MeJP NA NA +MJ060144 Rutaretin, 1'-O-?-D-Glucopyranoside C20H24O10 424.136946 NA MeJP NA NA +MJ060145 Rutaretin, 9-O-?-D-Glucopyranoside C20H24O10 424.136946 NA MeJP NA NA +MJ060146 Vaginidiol; 1''-O-Glucopyranoside C20H24O10 424.136946 NA MeJP NA NA +MJ060147 Thaxtomin A; N1-De-Me C21H20N4O6 424.138284 NA MeJP NA NA +MJ060148 Thaxtomin A; N4-De-Me C21H20N4O6 424.138284 NA MeJP NA NA +PJ001232 GSMM C15H28N4O6S2 424.145 NA PeJP NA NA +MJ060149 Eprosartan C23H24N2O4S 424.145677 NA MeJP NA NA +C07467 Eprosartan C23H24N2O4S 424.1457 NA KEGG NA NA +MJ060150 3-[(4-Hydroxyphenyl)methyl]-1,4-dimethyl-3,6-bis(methylthio)-2,5-piperazinedione; O-(3-Hydroxymethyl-2-butenyl) C20H28N2O4S2 424.149048 NA MeJP NA NA +MJ060151 Melithiazoles; Melithiazole B, 11?,12,14,15-Tetrahydro C20H28N2O4S2 424.149048 NA MeJP NA NA +FL1CA9NF0004 (+)-Tephropurpurin;[(+)-5'',5''-dimethyl-4''alpha-acacetoxytetrahydrofurano(2'',3''-b)-dihydrofurano(4',5'-h)-2'-methoxy-6'-hydroxychalcone] C24H24O7 424.1522 195609-89-3 knapsack NA NA +FL3FFCNP0001 7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone C24H24O7 424.1522 137319-32-5 knapsack NA NA +FL5FDDNF0003 8-C-Methylvelloquercetin 3,5,3'-trimethyl ether C24H24O7 424.1522 148335-06-2 knapsack NA NA +FLIF2LNP0001 Erythynone;(+)-2,3,10-Trimethoxy-6'',6''-dimethylpyrano[2'',3'':9,8]rotenone C24H24O7 424.1522 128700-25-4 knapsack NA NA +FLIFHXNF0007 12a-Methoxyrotenone C24H24O7 424.1522 54534-95-1 knapsack NA NA +MJ060152 13-Hydroxyripariochromene A; 7-Deoxy, 13-(4-Hydroxy-3-methoxycinnamoyl) C24H24O7 424.152203 NA MeJP NA NA +MJ060153 3',4',5,5',7-Pentahydroxy-8-prenylflavone; 3',4'-Methylene, 5,5',7-tri-Me ether C24H24O7 424.152203 NA MeJP NA NA +MJ060154 5,6-Dihydroxy-8-(3,4-dihydroxyphenyl)-2,2-dimethyl-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-one; Tetra-Me ether C24H24O7 424.152203 NA MeJP NA NA +MJ060155 8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8-Benzoyl, 11-Ac C24H24O7 424.152203 NA MeJP NA NA +MJ060156 8-C-Methylvellokaempferol; 3'-Hydroxy, 3,3',5-tri-Me ether C24H24O7 424.152203 NA MeJP NA NA +MJ060157 Butyrolactone II; 3'-(3-Methyl-2-butenyl) C24H24O7 424.152203 NA MeJP NA NA +MJ060158 Deguelin, 5-Methoxy C24H24O7 424.152203 NA MeJP NA NA +MJ060159 Garcinisidone B C24H24O7 424.152203 NA MeJP NA NA +MJ060160 Rotenolone, Me ether C24H24O7 424.152203 NA MeJP NA NA +MJ060161 Tephropurpurin C24H24O7 424.152203 NA MeJP NA NA +MJ060162 Xanthone V1; 7-Methoxy C24H24O7 424.152203 NA MeJP NA NA +MJ060163 Fukinolidiol; 1-(3-Methylsulfinyl-2-propenoyl)(R,Z-), 9-Ac C21H28O7S 424.155573 NA MeJP NA NA +MJ060164 Fukinolidiol; 1-(3-Methylsulfinyl-2-propenoyl)(S,E-), 9-Ac C21H28O7S 424.155573 NA MeJP NA NA +MJ060165 Fukinolidiol; 1-(3-Methylsulfinyl-2-propenoyl)(S,Z-), 9-Ac C21H28O7S 424.155573 NA MeJP NA NA +MJ060166 Fukinolidiol; 9-(3-Methylsulfinyl-2-propenoyl)(R,Z-), 1-Ac C21H28O7S 424.155573 NA MeJP NA NA +MJ060167 Fukinolidiol; 9-(3-Methylsulfinyl-2-propenoyl)(S,E-), 1-Ac C21H28O7S 424.155573 NA MeJP NA NA +MJ060168 Fukinolidiol; 9-(3-Methylsulfinyl-2-propenoyl)(S,Z), 1-Ac C21H28O7S 424.155573 NA MeJP NA NA +MJ060169 Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C17H28O12 424.158076 NA MeJP NA NA +PJ001233 NEY C18H24N4O8 424.1594 NA PeJP NA NA +MJ060170 15-Bromo-9(11)-parguerene-2,16-diol, 2-Ac C22H33BrO3 424.161307 NA MeJP NA NA +PJ001234 SSTM C15H28N4O8S 424.1628 NA PeJP NA NA +MJ060171 Kopsifine; 5-Deoxo C23H24N2O6 424.163436 NA MeJP NA NA +MJ060172 Oximidine II C23H24N2O6 424.163436 NA MeJP NA NA +MJ060173 Pleiocarpine; 5,6-Dioxo C23H24N2O6 424.163436 NA MeJP NA NA +MJ060174 Cloprostenol C22H29ClO6 424.165266 NA MeJP NA NA +MJ060175 Isomarchantin C C28H24O4 424.167459 NA MeJP NA NA +MJ060176 Isoplagiochin A; 7',8'-Dihydro C28H24O4 424.167459 NA MeJP NA NA +MJ060177 Isoplagiochin C; 7',8'-Dihydro C28H24O4 424.167459 NA MeJP NA NA +MJ060178 Isoriccardin C C28H24O4 424.167459 NA MeJP NA NA +MJ060179 Marchantin C C28H24O4 424.167459 NA MeJP NA NA +MJ060180 Neomarchantin A C28H24O4 424.167459 NA MeJP NA NA +MJ060181 Riccardin B C28H24O4 424.167459 NA MeJP NA NA +MJ060182 Riccardin C C28H24O4 424.167459 NA MeJP NA NA +MJ060183 Riccardin D C28H24O4 424.167459 NA MeJP NA NA +MJ060184 Spiradoline C22H30Cl2N2O2 424.168433 NA MeJP NA NA +C01674 Chitobiose C16H28N2O11 424.1693 NA KEGG NA NA +MJ060185 Chitobiose; Pyranose-form, N,N'-Di-Ac C16H28N2O11 424.169309 NA MeJP NA NA +MetaCyc03498 chitobiose [diacetylchitobiose;N-[2-[5-acetylamino-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihyrdoxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide;CBS;Chitodextrin;] C16H28N2O11 424.16931 577-76-4 metacyc NA NA +PJ001235 GPDH C17H24N6O7 424.1707 NA PeJP NA NA +C10463 Grandidentatin C21H28O9 424.1733 NA KEGG NA NA +MJ060186 1(10),4,11(13)-Germacratrien-12,6-olid-14-oic acid, ?-D-Glucopyranosyl ester C21H28O9 424.173332 NA MeJP NA NA +MJ060187 1(10),4,11(13)-Germacratrien-12,8-olid-14-oic acid, ?-D-Glucopyranosyl ester C21H28O9 424.173332 NA MeJP NA NA +MJ060188 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Et ether, 8,13-di-Ac C21H28O9 424.173332 NA MeJP NA NA +MJ060189 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Me ether, 8-propanoyl, 13-Ac C21H28O9 424.173332 NA MeJP NA NA +MJ060190 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 13-Ac C21H28O9 424.173332 NA MeJP NA NA +MJ060191 15-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 15-O-?-D-Glucopyranoside C21H28O9 424.173332 NA MeJP NA NA +MJ060192 15-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 15-O-?-D-Glucopyranoside C21H28O9 424.173332 NA MeJP NA NA +MJ060193 15-Hydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 15-O-?-D-Glucopyranoside C21H28O9 424.173332 NA MeJP NA NA +MJ060194 15-Hydroxy-2-oxo-3,5-guaiadien-12,8-olide, 15-O-?-D-Glucopyranoside C21H28O9 424.173332 NA MeJP NA NA +MJ060195 2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 2-Hydroperoxide, 8-(2-methylpropanoyl), 9-Ac C21H28O9 424.173332 NA MeJP NA NA +MJ060196 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-?-D-Glucopyranoside C21H28O9 424.173332 NA MeJP NA NA +MJ060197 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-O-?-D-Glucopyranoside C21H28O9 424.173332 NA MeJP NA NA +MJ060198 3,9-Dihydroxy-10(14)-guaien-12,6-olide, 4,11,13,15-Tetradehydro, 3-O-?-D-glucopyranoside C21H28O9 424.173332 NA MeJP NA NA +MJ060199 3,9-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-?-D-Glucopyranoside C21H28O9 424.173332 NA MeJP NA NA +MJ060200 3-O-Caffeoylquinic acid, 3'-Me ether, butyl ester C21H28O9 424.173332 NA MeJP NA NA +MJ060201 4,5-Epoxy-1,8,13-trihydroxy-7(11)-germacren-12,6-olide, Tri-Ac C21H28O9 424.173332 NA MeJP NA NA +MJ060202 4,9,11(13)-Germacratrien-12,6-olid-14-oic acid, ?-D-Glucopyranosyl ester C21H28O9 424.173332 NA MeJP NA NA +MJ060203 5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, 14-Hydroxy, 11?,13-dihydro, lactone, 14-O-?-D-glucopyranoside C21H28O9 424.173332 NA MeJP NA NA +MJ060204 5-O-Caffeoylquinic acid, 3'-Me ether, butyl ester C21H28O9 424.173332 NA MeJP NA NA +MJ060205 8,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 15-O-?-D-Glucopyranoside C21H28O9 424.173332 NA MeJP NA NA +MJ060206 8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-O-?-D-glucopyranoside C21H28O9 424.173332 NA MeJP NA NA +MJ060207 9'-(3-Hydroxy-3-methylglutaroyloxy)abscisic acid C21H28O9 424.173332 NA MeJP NA NA +MJ060208 9,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 15-O-?-D-Glucopyranoside C21H28O9 424.173332 NA MeJP NA NA +MJ060209 Crepiside C C21H28O9 424.173332 NA MeJP NA NA +MJ060210 Grandidentatin C21H28O9 424.173332 NA MeJP NA NA +MJ060211 Neosolaniol; 8-Ac C21H28O9 424.173332 NA MeJP NA NA +MJ060212 Picrodendrin M C21H28O9 424.173332 NA MeJP NA NA +MJ060213 Plagiochiline G C21H28O9 424.173332 NA MeJP NA NA +MJ060214 Shizukanolide E; 15-O-?-D-Glucopyranoside C21H28O9 424.173332 NA MeJP NA NA +MJ060215 Shizukanolide F; 15-O-?-D-Glucoside C21H28O9 424.173332 NA MeJP NA NA +PJ001236 GYW C22H24N4O5 424.1747 NA PeJP NA NA +PJ001237 QMF C19H28N4O5S 424.1781 NA PeJP NA NA +MJ060216 Melicobisquinolinone B C27H24N2O3 424.178692 NA MeJP NA NA +MJ060217 Clindamycin C18H33ClN2O5S 424.17987 NA MeJP NA NA +C06914 Clindamycin C18H33ClN2O5S 424.1799 NA KEGG NA NA +MJ060218 Amicoumacin B C20H28N2O8 424.184565 NA MeJP NA NA +MJ060219 Antibiotic WF 10129 C20H28N2O8 424.184565 NA MeJP NA NA +FL1C1ANF0005 Paratocarpin G;3'-Prenyl-5''-(2-hydroxyisopropyl)-4''-hydroxy-4'',5''-dihydrofurano[2'',3'':4,3]-2',4'-dihydroxychalcone C25H28O6 424.18858 170662-21-2 knapsack NA NA +FL1C1ANI0021 Angusticornin B;3,5'-di-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone C25H28O6 424.18858 851771-48-7 knapsack NA NA +FL1CHYNF0001 Glyinflanin F C25H28O6 424.18858 164123-52-8 knapsack NA NA +FL1CHYNI0005 Glyinflanin E C25H28O6 424.18858 164123-51-7 knapsack NA NA +FL2FA8NI0002 Exiguaflavanone A C25H28O6 424.18858 142608-98-8 knapsack NA NA +FL2FA8NP0003 Exiguaflavanone L C25H28O6 424.18858 156281-22-0 knapsack NA NA +FL2FA9NI0023 Monotesone B;5,7,3',5'-Tetrahydroxy-6,8-diprenylflavanone C25H28O6 424.18858 208596-56-9 knapsack NA NA +FL2FAANF0001 Lonchocarpol C;(-)-Lonchocarpol C C25H28O6 424.18858 111545-13-2 knapsack NA NA +FL2FAANF0002 Lonchocarpol D C25H28O6 424.18858 111545-14-3 knapsack NA NA +FL2FAANF0007 Lonchocarpol C1;5,4'-Dihydroxy-6-prenyl-5''-(2-hydroxyisopropyl)[2'',3'':7,8]dihydrofuranoflavanone C25H28O6 424.18858 162808-16-4 knapsack NA NA +FL2FAANF0008 Lonchocarpol C2;5''-epi-5,4'-Dihydroxy-6-prenyl-5''-(2-hydroxyisopropyl)[2'',3'':7,8]dihydrofuranoflavanone C25H28O6 424.18858 162808-17-5 knapsack NA NA +FL2FAANF0009 Lonchocarpol D1;5,4'-Dihydroxy-8-prenyl-5''-(2-hydroxyisopropyl)[2'',3'':7,6]dihydrofuranoflavanone C25H28O6 424.18858 162808-18-6 knapsack NA NA +FL2FAANF0010 Lonchocarpol D2;5''-epi-5,4'-Dihydroxy-8-prenyl-5''-(2-hydroxyisopropyl)[2'',3'':7,6]dihydrofuranoflavanone C25H28O6 424.18858 162808-19-7 knapsack NA NA +FL2FAANI0010 Flemiflavanone D C25H28O6 424.18858 81656-59-9 knapsack NA NA +FL2FAANI0016 Lupiniol A1;Lupiniol A2 C25H28O6 424.18858 162616-67-3<BR>162681-79-0 knapsack NA NA +FL2FAANI0017 Lupiniol B C25H28O6 424.18858 162616-68-4 knapsack NA NA +FL2FACNI0004 Sigmoidin A C25H28O6 424.18858 87746-48-3 knapsack NA NA +FL2FACNI0006 Diplacone C25H28O6 424.18858 73676-38-7 knapsack NA NA +FL2FACNI0008 Gancaonin E C25H28O6 424.18858 124596-89-0 knapsack NA NA +FL2FACNI0009 5,7,3',4'-Tetrahydroxy-6,8-di-C-prenylflavanone;6,8-Diprenyleriodictyol;(S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-Benzopyran-4-one C25H28O6 424.18858 151649-32-0 knapsack NA NA +FL2FACNI0011 5,7,3',4'-Tetrahydroxy-6,5'-di-C-prenylflavanone C25H28O6 424.18858 156788-69-1 knapsack NA NA +FL2FACNI0013 Abyssinin III;Abyssinoflavanone III;5,7,3',4'-Tetrahydroxy-5',6'-diprenylflavanone C25H28O6 424.18858 183990-15-0 knapsack NA NA +FL2FACNP0009 Dorsmanin J;5,3',4'-Trihydroxy-8-prenyl-6'',6''-dimethyldihydropyrano[2'',3'':7,6]flavanone C25H28O6 424.18858 329703-76-6 knapsack NA NA +FL2FACNP0010 Dorsmanin E;3',4'-Dihydroxy-bis(6'',6''-dimethyldihydropyrano[2'',3'':5,6][2'',3'':7,8])flavanone C25H28O6 424.18858 234429-61-9 knapsack NA NA +FL2FALNI0001 Kuwanon E C25H28O6 424.18858 68401-05-8 knapsack NA NA +FL2FALNI0002 Kushenol F C25H28O6 424.18858 99211-14-0 knapsack NA NA +FL2FALNI0006 Sophoraflavanone G C25H28O6 424.18858 97938-30-2 knapsack NA NA +FL2FALNI0008 Kushenol E C25H28O6 424.18858 99119-72-9 knapsack NA NA +FL2FALNI0009 Lespedezaflavanone D;Euchrestaflavanone B C25H28O6 424.18858 87402-91-3 knapsack NA NA +FL2FALNI0027 2'4'-Dihydroxy-5'-(1'',1''-dimethylallyl)-6-C-prenylpinocembrin C25H28O6 424.18858 157072-26-9 knapsack NA NA +FL2FALNI0028 Sophoraflavanone C C25H28O6 424.18858 121927-91-1 knapsack NA NA +FL2FALNI0032 (2S)-5,7,2',4'-Tetrahydroxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone C25H28O6 424.18858 460345-17-9 knapsack NA NA +FL2FALNI0034 Sanggenol A;5,7,2',4'-Tetrahydroxy-3'-geranylflavanone C25H28O6 424.18858 174423-30-4 knapsack NA NA +FL2FALNI0037 Remangiflavanone B;5,7,2',4'-Tetrahydroxy-8-(2-isopropyl-5-methyl-5-hexenyl)flavanone C25H28O6 424.18858 289681-43-2 knapsack NA NA +FL2FALNP0023 Leachianone F;5,2',4'-Trihydroxy-5''-prenyl-6'',6''-dimethyldihydropyrano[2'',3'':7,8]flavanone C25H28O6 424.18858 152464-77-2 knapsack NA NA +FL4DAANI0005 Lespedezaflavanone C C25H28O6 424.18858 126026-21-9 knapsack NA NA +FL4DAANI0006 Bonanniol A C25H28O6 424.18858 96917-35-0 knapsack NA NA +FL4DAANI0007 3,5,4'-Trihydroxy-7-geranyloxyflavanone C25H28O6 424.18858 160036-21-5 knapsack NA NA +FL4DAANI0008 3,5,7,4'-Tetrahydroxy-6,8-diprenylflavanone C25H28O6 424.18858 70594-43-3 knapsack NA NA +FLIBALNI0003 Lespedeol A C25H28O6 424.18858 51581-05-6 knapsack NA NA +FLIBALNI0012 3'-Dimethylallylkievitone;5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavanone C25H28O6 424.18858 104380-55-4 knapsack NA NA +MJ060220 1,3,5,6-Tetrahydroxy-4,8-diprenylxanthone; 3,6-Di-Me ether C25H28O6 424.188588 NA MeJP NA NA +MJ060221 1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; 3,6-Di-Me ether C25H28O6 424.188588 NA MeJP NA NA +MJ060222 1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; 3,7-Di-Me ether C25H28O6 424.188588 NA MeJP NA NA +MJ060223 2',3,4',7-Tetrahydroxy-6,8-diprenylisoflavanone C25H28O6 424.188588 NA MeJP NA NA +MJ060224 2',4',5,7-Tetrahydroxy-3',6-diprenylisoflavanone C25H28O6 424.188588 NA MeJP NA NA +MJ060225 2',4',5,7-Tetrahydroxy-3',8-diprenylisoflavanone C25H28O6 424.188588 NA MeJP NA NA +MJ060226 2',4',5,7-Tetrahydroxy-5',6-diprenylflavanone C25H28O6 424.188588 NA MeJP NA NA +MJ060227 2',4',5,7-Tetrahydroxy-5',8-diprenylflavanone C25H28O6 424.188588 NA MeJP NA NA +MJ060228 2',4',5,7-Tetrahydroxy-6,8-diprenylflavanone C25H28O6 424.188588 NA MeJP NA NA +MJ060229 2',4',5,7-Tetrahydroxy-6,8-diprenylisoflavanone C25H28O6 424.188588 NA MeJP NA NA +MJ060230 2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-(2-Methyl-6-methylene-7-oxo-2-octenoyl)(E-) C25H28O6 424.188588 NA MeJP NA NA +MJ060231 3',4',5,7-Tetrahydroxy-2',5'-diprenylflavanone C25H28O6 424.188588 NA MeJP NA NA +MJ060232 3',4',5,7-Tetrahydroxy-5',6-diprenylflavanone C25H28O6 424.188588 NA MeJP NA NA +MJ060233 3',4',5,7-Tetrahydroxy-5',8-diprenylflavanone C25H28O6 424.188588 NA MeJP NA NA +MJ060234 3',4',5,7-Tetrahydroxy-6,8-diprenylflavanone C25H28O6 424.188588 NA MeJP NA NA +MJ060235 3',5,5',7-Tetrahydroxy-6,8-diprenylflavanone C25H28O6 424.188588 NA MeJP NA NA +MJ060236 3,3',4,4'-Tetrahydroxylignan-9,9'-olide, 3',4'-Methylene, 3-Me ether, 4-O-(3-methyl-2-butenyl) C25H28O6 424.188588 NA MeJP NA NA +MJ060237 3,3',4,4'-Tetrahydroxylignan-9,9'-olide, 3,4-Methylene, 3'-Me ether, 4'-O-(3-methyl-2-butenyl) C25H28O6 424.188588 NA MeJP NA NA +MJ060238 3,4',5,7-Tetrahydroxy-3',8-diprenylflavanone C25H28O6 424.188588 NA MeJP NA NA +MJ060239 3,4',5,7-Tetrahydroxy-6,8-diprenylflavanone C25H28O6 424.188588 NA MeJP NA NA +MJ060240 3,4',5,7-Tetrahydroxyflavanone, 7-O-(E-3,7-Dimethyl-2,6-octadienyl) C25H28O6 424.188588 NA MeJP NA NA +MJ060241 4',5,5',7-Tetrahydroxy-2',3'-diprenylflavanone C25H28O6 424.188588 NA MeJP NA NA +MJ060242 4',5,7-Trihydroxy-3',8-diprenylflavanone, 2''',3'''-Epoxide C25H28O6 424.188588 NA MeJP NA NA +MJ060243 4',5,7-Trihydroxy-3',8-diprenylflavanone, ?3'''-Isomer, 2'''?-hydroxy C25H28O6 424.188588 NA MeJP NA NA +MJ060244 4',5,7-Trihydroxy-6,8-diprenylflavanone, ?3''-Isomer, 2''-hydroxy C25H28O6 424.188588 NA MeJP NA NA +MJ060245 4',5,7-Trihydroxy-8-lavandulylflavanone, 2'-Hydroxy C25H28O6 424.188588 NA MeJP NA NA +MJ060246 5'-(1,1-Dimethylallyl)-2',4',5,7-tetrahydroxy-6-prenylflavanone C25H28O6 424.188588 NA MeJP NA NA +MJ060247 5'-Geranyl-2',4',5,7-tetrahydroxyisoflavanone C25H28O6 424.188588 NA MeJP NA NA +MJ060248 Arugosin A C25H28O6 424.188588 NA MeJP NA NA +MJ060249 Arugosin B C25H28O6 424.188588 NA MeJP NA NA +MJ060250 Arugosin C C25H28O6 424.188588 NA MeJP NA NA +MJ060251 Bonannione A; 3R-Hydroxy C25H28O6 424.188588 NA MeJP NA NA +MJ060252 Debromohydroxymarinone C25H28O6 424.188588 NA MeJP NA NA +MJ060253 Diplacone C25H28O6 424.188588 NA MeJP NA NA +MJ060254 Dorsmanin E C25H28O6 424.188588 NA MeJP NA NA +MJ060255 Exiguaflavanone A C25H28O6 424.188588 NA MeJP NA NA +MJ060256 Exiguaflavanone L C25H28O6 424.188588 NA MeJP NA NA +MJ060257 Glyinflanin E C25H28O6 424.188588 NA MeJP NA NA +MJ060258 Glyinflanin F C25H28O6 424.188588 NA MeJP NA NA +MJ060259 Kenusanone H C25H28O6 424.188588 NA MeJP NA NA +MJ060260 Kushenol F C25H28O6 424.188588 NA MeJP NA NA +MJ060261 Kuwanon E C25H28O6 424.188588 NA MeJP NA NA +MJ060262 Leachianone F C25H28O6 424.188588 NA MeJP NA NA +MJ060263 Lespedezol D5 C25H28O6 424.188588 NA MeJP NA NA +MJ060264 Lespedol A C25H28O6 424.188588 NA MeJP NA NA +MJ060265 Lonchocarpol C C25H28O6 424.188588 NA MeJP NA NA +MJ060266 Lonchocarpol D C25H28O6 424.188588 NA MeJP NA NA +MJ060267 Lupinifolin, 3'-Hydroxy, 3'',4''-dihydro C25H28O6 424.188588 NA MeJP NA NA +MJ060268 Nymphaeol B C25H28O6 424.188588 NA MeJP NA NA +MJ060269 Paratocarpin G C25H28O6 424.188588 NA MeJP NA NA +MJ060270 Piperitol, O-(3-Methyl-2-butenyl) C25H28O6 424.188588 NA MeJP NA NA +MJ060271 Poinsettifolactone C25H28O6 424.188588 NA MeJP NA NA +MJ060272 Rhinacanthin A, 3-O-(6,7-Epoxy-2,6-dimethyl-2-octenoyl)(E-) C25H28O6 424.188588 NA MeJP NA NA +MJ060273 Rhinacanthin A, 3-O-(6-Hydroxy-2,6-dimethyl-2,7-octadienoyl) C25H28O6 424.188588 NA MeJP NA NA +MJ060274 Sanggenol A C25H28O6 424.188588 NA MeJP NA NA +MJ060275 Sophoraflavanone A, 2'-Hydroxy C25H28O6 424.188588 NA MeJP NA NA +MJ060276 Sophoraflavanone G C25H28O6 424.188588 NA MeJP NA NA +MJ060277 Tricoccin S4 C25H28O6 424.188588 NA MeJP NA NA +MJ060278 Variecoxanthone B; 2',3'-Epoxide C25H28O6 424.188588 NA MeJP NA NA +C15161 2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran- C25H28O6 424.1886 NA KEGG NA NA +C15209 Bisphenol A ethoxylate diacrylate C25H28O6 424.1886 NA KEGG NA NA +C18053 Sophoraflavanone G C25H28O6 424.1886 NA KEGG NA NA +PJ001238 CFR C18H28N6O4S 424.1893 NA PeJP NA NA +MJ060279 Siphonodictyol G C22H32O6S 424.191959 NA MeJP NA NA +MJ060280 Siphonodictyol H C22H32O6S 424.191959 NA MeJP NA NA +MJ060281 2-Hexen-1-ol, O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C18H32O11 424.194461 NA MeJP NA NA +MJ060282 Kalihinol X C22H33ClN2O2S 424.195126 NA MeJP NA NA +PJ001239 DKY C19H28N4O7 424.1958 NA PeJP NA NA +C06843 Benazepril C24H28N2O5 424.1998 NA KEGG NA NA +C06844 Transferred to D00242 C24H28N2O5 424.1998 NA KEGG NA NA +C06845 Transferred to D00243 C24H28N2O5 424.1998 NA KEGG NA NA +MJ060283 Akuammiline; 10-Methoxy C24H28N2O5 424.199822 NA MeJP NA NA +MJ060284 Akuammiline; 5?-Hydroxymethyl C24H28N2O5 424.199822 NA MeJP NA NA +MJ060285 Alviminine C24H28N2O5 424.199822 NA MeJP NA NA +MJ060286 Benazeprilat; 1'-Mono-Et ester C24H28N2O5 424.199822 NA MeJP NA NA +MJ060287 Corymine; O-Ac C24H28N2O5 424.199822 NA MeJP NA NA +MJ060288 Fluggeainol; Dimeric ether C24H28N2O5 424.199822 NA MeJP NA NA +MJ060289 Henningsoline; 12-Deoxy, O17-Ac C24H28N2O5 424.199822 NA MeJP NA NA +MJ060290 Kopsijasmine, 12-Methoxy C24H28N2O5 424.199822 NA MeJP NA NA +MJ060291 Novacine C24H28N2O5 424.199822 NA MeJP NA NA +MJ060292 Obscurinervine; 22-Deethyl-22-methyl C24H28N2O5 424.199822 NA MeJP NA NA +MJ060293 Picraline; N-Me C24H28N2O5 424.199822 NA MeJP NA NA +MJ060294 Vincawajine C24H28N2O5 424.199822 NA MeJP NA NA +MJ060295 Pibenzimol C25H24N6O 424.201159 NA MeJP NA NA +PJ001240 SRY C18H28N6O6 424.207 NA PeJP NA NA +PJ001241 APTH C18H28N6O6 424.2071 NA PeJP NA NA +C09776 Didrovaltratum C22H32O8 424.2097 NA KEGG NA NA +C17032 Nigakilactone H C22H32O8 424.2097 NA KEGG NA NA +MJ060296 1,8,10,15-Tetrahydroxy-3-oxo-11(13)-germacren-12,6-olide, 1,10-Di-Me ether, 8-angeloyl C22H32O8 424.209718 NA MeJP NA NA +MJ060297 2,19:4,18:11,16:15,16-Tetraepoxy-6,15,19-clerodanetriol, 6-Ac C22H32O8 424.209718 NA MeJP NA NA +MJ060298 2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 6-Pentanoyl, 9-Ac C22H32O8 424.209718 NA MeJP NA NA +MJ060299 2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 2-O-(2-Methylbutanoyl), 6-Ac C22H32O8 424.209718 NA MeJP NA NA +MJ060300 2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 2-O-(3-Methylbutanoyl), 6-Ac C22H32O8 424.209718 NA MeJP NA NA +MJ060301 3,4,11-Trihydroxy-6-eudesmen-8-one, 11-Hydroperoxide, 3-(2,3-epoxy-2-methylbutanoyl), 4-Ac C22H32O8 424.209718 NA MeJP NA NA +MJ060302 3,8,9,10-Tetrahydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl), 9-Ac C22H32O8 424.209718 NA MeJP NA NA +MJ060303 8,17-Epoxy-3,9,14,19-tetrahydroxy-12-labden-16,15-olide, 19-Ac C22H32O8 424.209718 NA MeJP NA NA +MJ060304 9,13-Epidioxy-2,6,19-trihydroxy-8(17)-labden-15,16-olide, 19-Ac C22H32O8 424.209718 NA MeJP NA NA +MJ060305 Nigakilactone H C22H32O8 424.209718 NA MeJP NA NA +MJ060306 Toxin HT2 C22H32O8 424.209718 NA MeJP NA NA +MJ060307 Valtrate; 5?,6-Dihydro C22H32O8 424.209718 NA MeJP NA NA +MJ060308 Nesapidil C23H28N4O4 424.211055 NA MeJP NA NA +MJ060309 Peraquinsin C23H28N4O4 424.211055 NA MeJP NA NA +PJ001242 KMF C20H32N4O4S 424.2144 NA PeJP NA NA +MJ060310 Difenoxin C28H28N2O2 424.215078 NA MeJP NA NA +C07871 Difenoxin C28H28N2O2 424.2151 NA KEGG NA NA +MJ060311 Procamine C17H28N8O5 424.218266 NA MeJP NA NA +MJ060312 Sunagrel C25H32N2O2S 424.218448 NA MeJP NA NA +FL1DA9NR0011 Adunctin E C26H32O5 424.22497 151515-27-4 knapsack NA NA +FL1DQUNI0002 Helihumulone C26H32O5 424.22497 72247-83-7 knapsack NA NA +FLICALNI0001 Licoricidin;5,2',4'-Trihydroxy-7-methoxy-6,3'-diprenylisoflavan C26H32O5 424.22497 30508-27-1 knapsack NA NA +MJ060313 2,4-Dihydroxy-6-[2-(4-hydroxyphenyl)ethyl]-3,5-bis(3-methyl-2-butenyl)benzoic acid; 2-Me ether C26H32O5 424.224974 NA MeJP NA NA +MJ060314 6-Hydroxy-15-nor-14-oxo-8(17),13(16)-labdadien-18-oic acid, 6-Benzoyl C26H32O5 424.224974 NA MeJP NA NA +MJ060315 Adunctin E C26H32O5 424.224974 NA MeJP NA NA +MJ060316 Antibiotic SF 2415B2 C26H32O5 424.224974 NA MeJP NA NA +MJ060317 Carapa spirolactone C26H32O5 424.224974 NA MeJP NA NA +MJ060318 Cedrelone; 1,2-Dihydro C26H32O5 424.224974 NA MeJP NA NA +MJ060319 Ferulenol; 12'-Acetoxy C26H32O5 424.224974 NA MeJP NA NA +MJ060320 Ferulenol; 15'-Acetoxy C26H32O5 424.224974 NA MeJP NA NA +MJ060321 Helihumulone C26H32O5 424.224974 NA MeJP NA NA +MJ060322 Heliocide H1; 7-Me ether C26H32O5 424.224974 NA MeJP NA NA +MJ060323 Heliocide H2; 3-Me ether C26H32O5 424.224974 NA MeJP NA NA +MJ060324 Heliocide H3; 3-Me ether C26H32O5 424.224974 NA MeJP NA NA +MJ060325 Heliocide H4; 7-Me ether C26H32O5 424.224974 NA MeJP NA NA +MJ060326 Kanzonol H C26H32O5 424.224974 NA MeJP NA NA +MJ060327 Kopetdaghin; O-Ac C26H32O5 424.224974 NA MeJP NA NA +MJ060328 Neomarinone C26H32O5 424.224974 NA MeJP NA NA +MJ060329 Nimbocinol; 17-Hydroxy C26H32O5 424.224974 NA MeJP NA NA +MJ060330 O-(3-Hydroxy-7-drimen-11-yl)umbelliferone, Ac C26H32O5 424.224974 NA MeJP NA NA +MJ060331 O-(3-Hydroxy-8(12)-drimen-11-yl)umbelliferone, Ac C26H32O5 424.224974 NA MeJP NA NA +MJ060332 O-(3-Hydroxy-8(12)-drimen-11-yl)umbelliferone, O-Ac C26H32O5 424.224974 NA MeJP NA NA +MJ060333 Tecleanin C26H32O5 424.224974 NA MeJP NA NA +MJ060334 Vismione C; 7-Me ether, 3-O-de-Ac, 3-O-(3-methyl-2-butenyl) C26H32O5 424.224974 NA MeJP NA NA +MJ060335 Vismione M C26H32O5 424.224974 NA MeJP NA NA +MJ060336 Walsurin C26H32O5 424.224974 NA MeJP NA NA +C16986 Licoricidin C26H32O5 424.225 NA KEGG NA NA +MJ060337 1-Octanol; O-[?-D-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C19H36O10 424.230847 NA MeJP NA NA +MJ060338 1-Octanol; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C19H36O10 424.230847 NA MeJP NA NA +MJ060339 Valylamiclenomycylglutamine; ?-Carboxylic acid C20H32N4O6 424.232184 NA MeJP NA NA +MJ060340 Arthonin C25H32N2O4 424.236207 NA MeJP NA NA +MJ060341 Voacangine; 3-(2-Oxopropyl)(R-) C25H32N2O4 424.236207 NA MeJP NA NA +MJ060342 Polyneuridine; 12-Methoxy, N1,N4-di-Me, Et ester C25H33N2O4(+) 424.236207 NA MeJP NA NA +C15173 3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester C23H37O5P 424.2379 NA KEGG NA NA +3260 beta-lactokinin HIR 424.243 ACE inhibitor Inhouse_peptide NA peptide +7999 synthetic peptide LHR 424.243 antioxidative Inhouse_peptide NA peptide +8059 synthetic peptide RHI 424.243 antioxidative Inhouse_peptide NA peptide +8061 synthetic peptide RHL 424.243 antioxidative Inhouse_peptide NA peptide +PJ001243 GVLH C19H32N6O5 424.2434 NA PeJP NA NA +HMDB05022 Pravastatin C23H36O7 424.24609 http://www.hmdb.ca/metabolites/HMDB05022 HMDB NA NA +HMDB05022 Pravastatin C23H36O7 424.24609 HMDB05022 PFEM_hmdb_metabocards_official NA NA +HMDB05022 Pravastatin C23H36O7 424.246094 NA HMDB2010 NA NA +C01844 Pravastatin C23H36O7 424.2461 NA KEGG NA NA +MJ060343 2,3-Epoxy-5,6,10,14,16-grayanotoxanepentol, 14-Propanoyl C23H36O7 424.246103 NA MeJP NA NA +MJ060344 3,7-Epoxy-4,8,13-trihydroxy-15(17)-cembren-16,14-olide, 8-Me ether, 13-Ac C23H36O7 424.246103 NA MeJP NA NA +MJ060345 4,15:6,7-Diepoxy-1,8-dihydroxy-5-hirsutanone, 5?-Alcohol, 1-(2-hydroxyoctanoyl) C23H36O7 424.246103 NA MeJP NA NA +MJ060346 Cryptoporic acid A C23H36O7 424.246103 NA MeJP NA NA +MJ060347 Pravastatin C23H36O7 424.246103 NA MeJP NA NA +MJ060348 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Ac C23H36O7 424.246103 NA MeJP NA NA +MJ060349 Tylonolide C23H36O7 424.246103 NA MeJP NA NA +PJ001244 LHR C18H32N8O4 424.2547 NA PeJP NA NA +2820 PEP inhibitor LPPV 424.256 NA Inhouse_peptide NA peptide +MJ060350 1-(2,4,6-Trihydroxyphenyl)-5,8,11,14,17-eicosapentaen-1-one, 4-Me ether C27H36O4 424.261359 NA MeJP NA NA +MJ060351 17,19,22,24-Tetrahydroxyturriane; 4,5-Didehydro, 22-Me ether C27H36O4 424.261359 NA MeJP NA NA +MJ060352 17,19,22,24-Tetrahydroxyturriane; 6,7-Didehydro, 22-Me ether C27H36O4 424.261359 NA MeJP NA NA +MJ060353 2-(5-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-6-methyl-1,2-benzenediol; 5'-Ketone, 13'-oxo C27H36O4 424.261359 NA MeJP NA NA +MJ060354 2-Ethynyl-A,19-dinorpregn-20-yne-2,17-diol dipropanoate C27H36O4 424.261359 NA MeJP NA NA +MJ060355 5,6-Epoxy-5,6,7,8-tetrahydro-3-hydroxy-8-oxo-10'-apo-?,?-carotenal C27H36O4 424.261359 NA MeJP NA NA +MJ060356 6,7-Didehydro-5,6-dihydro-3,5-dihydroxy-12'-apo-?,?-carotenal, 3-Ac C27H36O4 424.261359 NA MeJP NA NA +MJ060357 Adriaticone C27H36O4 424.261359 NA MeJP NA NA +MJ060358 Cystofuranoquinol; 5-Hydroxy C27H36O4 424.261359 NA MeJP NA NA +MJ060359 Cystoketalchromane; 4'-O-De-Me C27H36O4 424.261359 NA MeJP NA NA +MJ060360 Cystoseirol A C27H36O4 424.261359 NA MeJP NA NA +MJ060361 Dulcinol C27H36O4 424.261359 NA MeJP NA NA +MJ060362 Lygodinolide C27H36O4 424.261359 NA MeJP NA NA +MJ060363 Sargachromenol C27H36O4 424.261359 NA MeJP NA NA +MJ060364 Sargaquinal; Carboxylic acid C27H36O4 424.261359 NA MeJP NA NA +MJ060365 ?-Tocotrienoloic acid, 3,4-Didehydro C27H36O4 424.261359 NA MeJP NA NA +PJ001245 PPVL C21H36N4O5 424.2686 NA PeJP NA NA +MJ060366 Devapamil C26H36N2O3 424.272593 NA MeJP NA NA +MJ060367 Sergolexole C26H36N2O3 424.272593 NA MeJP NA NA +C13763 Devapamil C26H36N2O3 424.2726 NA KEGG NA NA +MJ060368 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid C25H41ClO3 424.274422 NA MeJP NA NA +MJ060369 3,6,7,12-Tetrahydroxycholan-24-oic acid C24H40O6 424.282489 NA MeJP NA NA +MJ060370 3,7,12,19-Tetrahydroxycholan-24-oic acid C24H40O6 424.282489 NA MeJP NA NA +MJ060371 3,7,12,23-Tetrahydroxycholan-24-oic acid C24H40O6 424.282489 NA MeJP NA NA +MJ060372 3-Clerodene-7,15,16,18-tetrol, 15,16-Di-Ac C24H40O6 424.282489 NA MeJP NA NA +MJ060373 4-Cubebanol, O-[4-O-(2-Methylpropanoyl)-?-D-xylopyranoside] C24H40O6 424.282489 NA MeJP NA NA +MJ060374 6,13-Epoxy-4(18)-eunicellene-3,8,9,12-tetrol, 12-Butanoyl C24H40O6 424.282489 NA MeJP NA NA +MJ060375 6,13-Epoxy-4(18)-eunicellene-7,8,9,12-tetrol, 12-Butanoyl C24H40O6 424.282489 NA MeJP NA NA +MJ060376 8,13-Epoxy-11,14,15-labdanetriol, 14,15-Di-Ac C24H40O6 424.282489 NA MeJP NA NA +MJ060377 9,13:15,16-Diepoxy-6,15,16-labdanetriol, 15,16-Di-Me ether, 6-Ac C24H40O6 424.282489 NA MeJP NA NA +MJ060378 Byssomeruliol A C24H40O6 424.282489 NA MeJP NA NA +HMDB00307 1b-Hydroxycholic acid C24H40O6 424.2825 http://www.hmdb.ca/metabolites/HMDB00307 HMDB NA NA +HMDB00311 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.2825 http://www.hmdb.ca/metabolites/HMDB00311 HMDB NA NA +HMDB00316 2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.2825 http://www.hmdb.ca/metabolites/HMDB00316 HMDB NA NA +HMDB00340 3a,7a,12a,19-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.2825 http://www.hmdb.ca/metabolites/HMDB00340 HMDB NA NA +HMDB00367 3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.2825 http://www.hmdb.ca/metabolites/HMDB00367 HMDB NA NA +HMDB00377 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.2825 http://www.hmdb.ca/metabolites/HMDB00377 HMDB NA NA +HMDB00399 3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.2825 http://www.hmdb.ca/metabolites/HMDB00399 HMDB NA NA +HMDB00433 1,3,7,12-Tetrahydroxycholan-24-oic acid C24H40O6 424.2825 http://www.hmdb.ca/metabolites/HMDB00433 HMDB NA NA +HMDB00437 3a,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.2825 http://www.hmdb.ca/metabolites/HMDB00437 HMDB NA NA +C17651 alpha-Phocaecholic acid C24H40O6 424.2825 NA KEGG NA NA +HMDB00307 1b-Hydroxycholic acid C24H40O6 424.2825 HMDB00307 PFEM_hmdb_metabocards_official NA NA +HMDB00311 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.2825 HMDB00311 PFEM_hmdb_metabocards_official NA NA +HMDB00316 2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.2825 HMDB00316 PFEM_hmdb_metabocards_official NA NA +HMDB00340 3a,7a,12a,19-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.2825 HMDB00340 PFEM_hmdb_metabocards_official NA NA +HMDB00367 3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.2825 HMDB00367 PFEM_hmdb_metabocards_official NA NA +HMDB00377 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.2825 HMDB00377 PFEM_hmdb_metabocards_official NA NA +HMDB00399 3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.2825 HMDB00399 PFEM_hmdb_metabocards_official NA NA +HMDB00433 1,3,7,12-Tetrahydroxycholan-24-oic acid C24H40O6 424.2825 HMDB00433 PFEM_hmdb_metabocards_official NA NA +HMDB00437 3a,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.2825 HMDB00437 PFEM_hmdb_metabocards_official NA NA +HMDB00307 1b-Hydroxycholic acid C24H40O6 424.282501 NA HMDB2010 NA NA +HMDB00311 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.282501 NA HMDB2010 NA NA +HMDB00316 2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.282501 NA HMDB2010 NA NA +HMDB00340 3a,7a,12a,19-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.282501 NA HMDB2010 NA NA +HMDB00367 3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.282501 NA HMDB2010 NA NA +HMDB00377 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.282501 NA HMDB2010 NA NA +HMDB00399 3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.282501 NA HMDB2010 NA NA +HMDB00433 1,3,7,12-Tetrahydroxycholan-24-oic acid C24H40O6 424.282501 NA HMDB2010 NA NA +HMDB00437 3a,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid C24H40O6 424.282501 NA HMDB2010 NA NA +HMDB13158 1b,3a,7b-Trihydroxy-5b-cholanoic acid C24H40O6 424.282501 NA HMDB2010 NA NA +HMDB13192 3a,7b,21-Trihydroxy-5b-cholanoic acid C24H40O6 424.282501 NA HMDB2010 NA NA +MJ060379 Glutamine, N2-(17?-Hydroxy-9Z,12Z-octadecadienoyl) C23H40N2O5 424.293722 NA MeJP NA NA +HMDB11144 LPA(18:0e/0:0) C21H45O6P 424.29538 NA HMDB2010 NA NA +MJ060380 12-Hydroxy-26,27-dinorergosta-1,4,22-trien-3-one, Ac C28H40O3 424.297745 NA MeJP NA NA +MJ060381 14,15-Epoxyergosta-7,22-diene-3,6-dione C28H40O3 424.297745 NA MeJP NA NA +MJ060382 14-Hydroxyergosta-4,7,22-triene-3,6-dione C28H40O3 424.297745 NA MeJP NA NA +MJ060383 4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid; Me ether, (S)-4-isopropyl-1-methylcyclohexen-4-yl ester C28H40O3 424.297745 NA MeJP NA NA +MJ060384 4-Hydroxy-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)benzeneacetic acid C28H40O3 424.297745 NA MeJP NA NA +MJ060385 Dankasterone C28H40O3 424.297745 NA MeJP NA NA +MJ060386 Herbarulide C28H40O3 424.297745 NA MeJP NA NA +MJ060387 Minabeolide 1; 1,2-Dihydro C28H40O3 424.297745 NA MeJP NA NA +MJ060388 Sargaquinone; 9'-Methoxy C28H40O3 424.297745 NA MeJP NA NA +MJ060389 Sargaquinone; ?9'-Isomer, 11'-methoxy C28H40O3 424.297745 NA MeJP NA NA +MJ060390 Pifarnine C27H40N2O2 424.308978 NA MeJP NA NA +MJ060391 Unoprostone; Isopropyl ester C25H44O5 424.318874 NA MeJP NA NA +MJ060392 Suxemerid C24H44N2O4 424.330107 NA MeJP NA NA +C14153 alpha-Tocotrienol C29H44O2 424.3341 NA KEGG NA NA +C14287 4,4'-Methylenebis(2,6-di-tert-butylphenol) C29H44O2 424.3341 NA KEGG NA NA +MJ060393 22-Hydroxy-29-nor-2,4(23)-friedeladien-21-one; 22?-form C29H44O2 424.33413 NA MeJP NA NA +MJ060394 27-Nordammara-20,23-diene-3,25-dione C29H44O2 424.33413 NA MeJP NA NA +MJ060395 28-Nor-12,17-lupadiene-3,16-diol, 16-Ketone C29H44O2 424.33413 NA MeJP NA NA +MJ060396 29-Norcycloart-24-ene-3,23-dione C29H44O2 424.33413 NA MeJP NA NA +MJ060397 3-Hydroxy-28-norolean-12-en-16-one, 17,18-Didehydro C29H44O2 424.33413 NA MeJP NA NA +MJ060398 6-Hydroxystigmasta-4,24(28)-dien-3-one, 6-Ketone C29H44O2 424.33413 NA MeJP NA NA +MJ060399 6-Hydroxystigmasta-4,24-dien-3-one, 6-Ketone C29H44O2 424.33413 NA MeJP NA NA +MJ060400 Citreoanthrasteroid C29H44O2 424.33413 NA MeJP NA NA +MJ060401 Senexonol; 22-Ketone C29H44O2 424.33413 NA MeJP NA NA +MJ060402 Stigmasta-4,22-diene-3,6-dione C29H44O2 424.33413 NA MeJP NA NA +MJ060403 ?-Tocotrienol C29H44O2 424.33413 NA MeJP NA NA +HMDB06327 Alpha-Tocotrienol C29H44O2 424.334137 NA HMDB2010 NA NA +HMDB06327 alpha-Tocotrienol C29H44O2 424.33414 http://www.hmdb.ca/metabolites/HMDB06327 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06327 alpha-Tocotrienol C29H44O2 424.33414 http://www.hmdb.ca/metabolites/HMDB06327 HMDB NA NA +HMDB06327 alpha-Tocotrienol C29H44O2 424.33414 http://www.hmdb.ca/metabolites/HMDB06327 PFEM_hmdb_metabocards_blood NA blood +HMDB06327 alpha-Tocotrienol C29H44O2 424.33414 HMDB06327 PFEM_hmdb_metabocards_official NA NA +MJ060404 3,5-Dioxohexacosanoic acid C26H48O4 424.35526 NA MeJP NA NA +C16967 Glutinone C30H48O 424.3705 NA KEGG NA NA +C16990 Lupenone C30H48O 424.3705 NA KEGG NA NA +MJ060405 1,20(29)-Lupadien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060406 1-Friedelen-3-one C30H48O 424.370516 NA MeJP NA NA +MJ060407 11,13(18)-Oleanadien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060408 12,18-Ursadien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060409 12,20(29)-Lupadien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060410 12,21-Oleanadien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060411 12-Lupen-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060412 12-Oleanen-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060413 12-Oleanen-7-one C30H48O 424.370516 NA MeJP NA NA +MJ060414 12-Ursen-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060415 13(18)-Oleanen-11-one C30H48O 424.370516 NA MeJP NA NA +MJ060416 13(18)-Oleanen-3-ol; 3?-form, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060417 14(18),17(20),24-Malabaricatrien-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060418 14,24-Dimethylergosta-8,25-dien-3-one C30H48O 424.370516 NA MeJP NA NA +MJ060419 14-Taraxeren-16-one C30H48O 424.370516 NA MeJP NA NA +MJ060420 14-Taraxeren-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060421 15,17(21)-Pachysanadien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060422 16,21-Pachysanadien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060423 16-Gammaceren-3-ol; 3?-form, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060424 17(21)-Hopen-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060425 18,20(29)-Lupadien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060426 18-Oleanen-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060427 19(21)-Lupen-3-one C30H48O 424.370516 NA MeJP NA NA +MJ060428 19(29)-Ursen-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060429 19,28-Epoxy-2-oleanene C30H48O 424.370516 NA MeJP NA NA +MJ060430 20(29),21-Lupadien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060431 20(29)-Lupen-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060432 20(30)-Taraxasten-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060433 20-Taraxasten-3-ol, Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060434 22(29)-Hopen-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060435 22-Methylene-29-norcycloartan-3?-ol; 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060436 26-Methylstigmasta-5,22,25(27)-trien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060437 28,29-Cyclo-20,28-hopanediol, 20-Deoxy, 20,30-didehydro C30H48O 424.370516 NA MeJP NA NA +MJ060438 3,10-Epoxy-4(23)-filicene C30H48O 424.370516 NA MeJP NA NA +MJ060439 3,15,27-Triacontatriene-1,29-diyn-5-ol C30H48O 424.370516 NA MeJP NA NA +MJ060440 3-Filicen-2-one C30H48O 424.370516 NA MeJP NA NA +MJ060441 3-Filicen-23-al C30H48O 424.370516 NA MeJP NA NA +MJ060442 3-Friedelen-2-one C30H48O 424.370516 NA MeJP NA NA +MJ060443 4,14-Dimethyl-9,19-cycloergost-25-en-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060444 4,14-Dimethylergosta-7,9(11),24(28)-trien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060445 4,14-Dimethylergosta-8,24(28)-dien-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060446 4-Methylstigmasta-8,14,24(28)-trien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060447 5(10)-Glutinen-3-one C30H48O 424.370516 NA MeJP NA NA +MJ060448 5,13(18)-Oleanadien-3-ol; 3?-form C30H48O 424.370516 NA MeJP NA NA +MJ060449 5,20(29)-Lupadien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060450 5-Adianen-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060451 5-Glutinen-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060452 7,25-Epoxy-8-fernene C30H48O 424.370516 NA MeJP NA NA +MJ060453 7,9(11)-Fernadien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060454 7,9(11)-Swertadien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060455 7-Baueren-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060456 7-Multifloren-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060457 8-Fernen-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060458 8-Multifloren-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060459 9(11),12-Oleanadien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060460 9(11),12-Ursadien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060461 9(11)-Arborinen-3-ol; 3?-form, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060462 9(11)-Fernen-12-one C30H48O 424.370516 NA MeJP NA NA +MJ060463 9(11)-Fernen-20-ol; 20?-form, 20-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060464 9(11)-Fernen-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060465 9(11)-Fernen-7-ol, 7-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060466 Boehmerol; 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060467 Butyrospermol; Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060468 Cycloart-24-en-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060469 Cycloarta-16,24-dien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060470 Cycloeucalenol; 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060471 Cyclohomonervilasterol C30H48O 424.370516 NA MeJP NA NA +MJ060472 Cyclootochilone C30H48O 424.370516 NA MeJP NA NA +MJ060473 D-Friedomadeir-14-en-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060474 D:C-Friedomadeir-7-en-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060475 Dalbergia variabilis Triterpenoid 1 C30H48O 424.370516 NA MeJP NA NA +MJ060476 Dammara-20,24-dien-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060477 Eupha-1,25-dien-3-one C30H48O 424.370516 NA MeJP NA NA +MJ060478 Hancolupenol; 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060479 Lanosta-7,9(11),24-trien-3-ol C30H48O 424.370516 NA MeJP NA NA +MJ060480 Nervisterol C30H48O 424.370516 NA MeJP NA NA +MJ060481 Pichierenol; 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060482 Swertanone C30H48O 424.370516 NA MeJP NA NA +MJ060483 Theonellasterol; 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060484 Tirucalla-7,24-dien-3-one C30H48O 424.370516 NA MeJP NA NA +MJ060485 Tirucalla-8,22-dien-3-ol, 3-Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060486 Tirucalla-8,24-dien-16-one C30H48O 424.370516 NA MeJP NA NA +MJ060487 Tirucalla-8,24-dien-3-ol, Ketone C30H48O 424.370516 NA MeJP NA NA +MJ060488 Budmunchiamine A; 8'-Oxo, N1,N9,N13-tri-de-Me C24H48N4O2 424.377726 NA MeJP NA NA +MJ060489 Plakinamine A; 24,25-Dihydro C29H48N2 424.381749 NA MeJP NA NA +MJ060490 3-(1,6-Tetracosadienyloxy)-1,2-propanediol C27H52O3 424.391645 NA MeJP NA NA +MJ060491 24-Methyldammara-12,25-diene C31H52 424.406901 NA MeJP NA NA +MJ060492 C31 Botryococcene C31H52 424.406901 NA MeJP NA NA +MJ060493 Isoshowacene C31H52 424.406901 NA MeJP NA NA +MJ060494 Isowolficene C31H52 424.406901 NA MeJP NA NA +MJ060495 Showacene C31H52 424.406901 NA MeJP NA NA +MJ060496 Wolficene C31H52 424.406901 NA MeJP NA NA +MJ060497 Budmunchiamine B C25H52N4O 424.414112 NA MeJP NA NA +MJ060498 1-Docosanol; Hexanoyl C28H56O2 424.428031 NA MeJP NA NA +MJ060499 10-Octacosene-1,12-diol C28H56O2 424.428031 NA MeJP NA NA +MJ060500 16-Hydroxy-26-methyl-2-heptacosanone C28H56O2 424.428031 NA MeJP NA NA +MJ060501 2,4,6-Trimethylpentacosanoic acid C28H56O2 424.428031 NA MeJP NA NA +MJ060502 23-Methylpentacosanoic acid; Et ester C28H56O2 424.428031 NA MeJP NA NA +MJ060503 24-Hydroxy-4-octacosanone C28H56O2 424.428031 NA MeJP NA NA +MJ060504 28-Hydroxy-7-octacosanone C28H56O2 424.428031 NA MeJP NA NA +MJ060505 5-Hydroxy-9-octacosanone C28H56O2 424.428031 NA MeJP NA NA +MJ060506 7-Hydroxy-4-octacosanone C28H56O2 424.428031 NA MeJP NA NA +MJ060507 Octacosanoic acid C28H56O2 424.428031 NA MeJP NA NA +HMDB02348 Octacosanoic acid C28H56O2 424.42804 http://www.hmdb.ca/metabolites/HMDB02348 HMDB NA NA +HMDB02348 Octacosanoic acid C28H56O2 424.42804 HMDB02348 PFEM_hmdb_metabocards_official NA NA +HMDB02348 Octacosanoic acid C28H56O2 424.42804 NA HMDB2010 NA NA +C08385 Nonacosan-10-ol C29H60O 424.4644 NA KEGG NA NA +MJ060508 1-Methoxy-2,14,18-trimethylpentacosane C29H60O 424.464416 NA MeJP NA NA +MJ060509 1-Methoxy-2,24-dimethylhexacosane C29H60O 424.464416 NA MeJP NA NA +MJ060510 1-Methoxy-24-methylheptacosane C29H60O 424.464416 NA MeJP NA NA +MJ060511 1-Nonacosanol C29H60O 424.464416 NA MeJP NA NA +MJ060512 10-Nonacosanol C29H60O 424.464416 NA MeJP NA NA +MJ060513 11-Nonacosanol C29H60O 424.464416 NA MeJP NA NA +MJ060514 15-Nonacosanol C29H60O 424.464416 NA MeJP NA NA +MJ060515 9-Nonacosanol C29H60O 424.464416 NA MeJP NA NA +3736 NA YPFGFYG 424.678 MH2+ Inhouse_peptide NA peptide +3080 hemorphin-6 YPWTQR 424.7 MH2+ Inhouse_peptide NA peptide +3403 ACE inhibitor YPWTQR 424.7 MH2+ Inhouse_peptide NA peptide +MJ060516 Epitizide C10H11ClF3N3O4S3 424.95523 NA MeJP NA NA +MJ060517 Aplysinketal B C14H21Br2NO4 424.983733 NA MeJP NA NA +MJ060518 Otimerate C10H9HgNO3S 425.000939 NA MeJP NA NA +MJ060519 Thiamin diphosphate C12H19N4O7P2S 425.044967 NA MeJP NA NA +MetaCyc03499 thiamine diphosphate [thiamine pyrophosphate;Thaimine pyrophosphate;TPP;thiamin-PPi;thiamin pyrophosphate;thiamin diphosphate;thiamine-PPi;ThPP;] C12H19N4O7P2S1 425.044968 154-87-0 metacyc NA NA +HMDB01372 Thiamine pyrophosphate C12H19N4O7P2S 425.04498 http://www.hmdb.ca/metabolites/HMDB01372 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01372 Thiamine pyrophosphate C12H19N4O7P2S 425.04498 http://www.hmdb.ca/metabolites/HMDB01372 HMDB NA NA +HMDB01372 Thiamine pyrophosphate C12H19N4O7P2S 425.04498 http://www.hmdb.ca/metabolites/HMDB01372 PFEM_hmdb_metabocards_blood NA blood +HMDB01372 Thiamine pyrophosphate C12H19N4O7P2S 425.04498 HMDB01372 PFEM_hmdb_metabocards_official NA NA +HMDB01372 Thiamine pyrophosphate C12H19N4O7P2S 425.044983 NA HMDB2010 NA NA +C00068 Thiamin diphosphate C12H19N4O7P2S 425.045 NA KEGG NA NA +C00069 Alcohol HOR 425.045 NA KEGG NA NA +C08426 Sinalbin C14H19NO10S2 425.045 NA KEGG NA NA +MJ060520 3-Hydroxybenzyl glucosinolate C14H19NO10S2 425.045037 NA MeJP NA NA +MJ060521 4-Hydroxybenzyl glucosinolate C14H19NO10S2 425.045037 NA MeJP NA NA +MJ060522 Toltrazuril C18H14F3N3O4S 425.065711 NA MeJP NA NA +MJ060523 Glicondamide C18H20ClN3O5S 425.081219 NA MeJP NA NA +C03476 5,12-Dihydroxanthommatin C20H15N3O8 425.0859 NA KEGG NA NA +MJ060524 Dihydroxanthommatin C20H15N3O8 425.085914 NA MeJP NA NA +MetaCyc03500 5,12-dihydroxanthommatin [] C20H15N3O8 425.085914 NA metacyc NA NA +MJ060525 (1,1-Cyclohexanedimethanamine-N,N')[ethanedioato(2-)-O,O']platinum C10H18N2O4Pt 425.091431 NA MeJP NA NA +MJ060526 Xestoquinolide B C22H19NO6S 425.093308 NA MeJP NA NA +MJ060527 Ebracteolatinoside A C18H19NO11 425.09581 NA MeJP NA NA +PJ001246 SCCN C13H23N5O7S2 425.1039 NA PeJP NA NA +MJ060528 Aristolactam II; N-?-D-Glucopyranoside C22H19NO8 425.111066 NA MeJP NA NA +MJ060529 Aureonuclemycin C16H19N5O9 425.118277 NA MeJP NA NA +MJ060530 Tulopafant C25H19N3O2S 425.119797 NA MeJP NA NA +MJ060531 Emetonium(1+); Iodide C20H28INO 425.121557 NA MeJP NA NA +MJ060532 2-[[(2,4-Dimethoxyphenyl)methyl]sulfinyl]-N-(2,6-dimethyl-4-pyridinyl)-3-pyridinecarboxamide C22H23N3O4S 425.140926 NA MeJP NA NA +PJ001247 DEY C18H23N3O9 425.1434 NA PeJP NA NA +HMDB02061 Hyaluronic acid C16H27NO12 425.15332 http://www.hmdb.ca/metabolites/HMDB02061 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02061 Hyaluronic acid C16H27NO12 425.15332 http://www.hmdb.ca/metabolites/HMDB02061 HMDB NA NA +HMDB02061 Hyaluronic acid C16H27NO12 425.15332 http://www.hmdb.ca/metabolites/HMDB02061 PFEM_hmdb_metabocards_blood NA blood +HMDB02061 Hyaluronic acid C16H27NO12 425.15332 HMDB02061 PFEM_hmdb_metabocards_official NA NA +HMDB02061 Hyaluronic acid C16H27NO12 425.15332 NA HMDB2010 NA NA +MJ060533 Oxypyrronium(1+), Bromide C21H32BrNO3 425.156556 NA MeJP NA NA +MJ060534 Fanserin C23H24FN3O2S 425.157325 NA MeJP NA NA +MJ060535 Domperidone C22H24ClN5O2 425.161852 NA MeJP NA NA +PJ001248 EMF C19H27N3O6S 425.1621 NA PeJP NA NA +MJ060536 Picumeterol C21H29Cl2N3O2 425.163682 NA MeJP NA NA +2870 opioid peptide YPF 425.183 antibacterial Inhouse_peptide NA peptide +MJ060537 Isotylocrebrine, 14?-Hydroxy, N-oxide C24H27NO6 425.183837 NA MeJP NA NA +MJ060538 Mecinarone C24H27NO6 425.183837 NA MeJP NA NA +MJ060539 Nisamycin C24H27NO6 425.183837 NA MeJP NA NA +MJ060540 Cyclotryprostatin A; 13-Me ether C23H27N3O5 425.19507 NA MeJP NA NA +PJ001249 PFY C23H27N3O5 425.1951 NA PeJP NA NA +PJ001250 LMY C20H31N3O5S 425.1985 NA PeJP NA NA +8063 synthetic peptide RHN 425.2019 antioxidative Inhouse_peptide NA peptide +PJ001251 AAQH C17H27N7O6 425.2023 NA PeJP NA NA +MJ060541 Parsonsianine; 16-Deoxy C21H31NO8 425.204966 NA MeJP NA NA +MJ060542 Syneilesine; O14-Ac C21H31NO8 425.204966 NA MeJP NA NA +MJ060543 Losoxantrone C22H27N5O4 425.206304 NA MeJP NA NA +3411 ACE inhibitor PPHQIYP 425.2095 MH2+ Inhouse_peptide NA peptide +PJ001252 NHR C16H27N9O5 425.2135 NA PeJP NA NA +MJ060544 Carfenazine C24H31N3O2S 425.213697 NA MeJP NA NA +MJ060545 Circinatin C20H31N3O7 425.2162 NA MeJP NA NA +7560 ACE inhibitor from soy hydrolysate FFL 425.22 antioxidative Inhouse_peptide NA peptide +3043 inhibitor of fibrinogen and thrombin coagulation GPRP 425.226 celiac toxic Inhouse_peptide NA peptide +PJ001253 PPVN C19H31N5O6 425.2275 NA PeJP NA NA +PJ001254 LFF C24H31N3O4 425.2315 NA PeJP NA NA +MJ060546 Nafoxidine C29H31NO2 425.235479 NA MeJP NA NA +C14212 Nafoxidine C29H31NO2 425.2355 NA KEGG NA NA +PJ001255 GPPR C18H31N7O5 425.2387 NA PeJP NA NA +MJ060547 Amoproxan C22H35NO7 425.241352 NA MeJP NA NA +MJ060548 Delbine C22H35NO7 425.241352 NA MeJP NA NA +EUR809 Lyso PE 14:0 monoisotopic mass C19H40NO7P 425.254242 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR821 Lyso PE 15:0 [M-H-CH3]- C20H42NO7P 425.254242 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR809 Lyso PE 14:0 monoisotopic mass C19H40NO7P 425.254242 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR821 Lyso PE 15:0 [M-H-CH3]- C20H42NO7P 425.254242 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR809 Lyso PE 14:0 monoisotopic mass C19H40NO7P 425.254242 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR821 Lyso PE 15:0 [M-H-CH3]- C20H42NO7P 425.254242 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB11470 LysoPE(0:0/14:0) C19H40NO7P 425.254242 NA HMDB2010 NA NA +HMDB11500 LysoPE(14:0/0:0) C19H40NO7P 425.254242 NA HMDB2010 NA NA +EUR809 Lyso PE 14:0 monoisotopic mass C19H40NO7P 425.254242 masses lipides attendues Inhousejuil11 NA NA +EUR821 Lyso PE 15:0 [M-H-CH3]- C20H42NO7P 425.254242 masses lipides attendues Inhousejuil11 NA NA +C11794 Diprenorphine C26H35NO4 425.2566 NA KEGG NA NA +MJ060549 Aurachin G; 3?-Methoxy, 1',2'-dihydro C26H35NO4 425.256608 NA MeJP NA NA +MJ060550 Diprenorphine C26H35NO4 425.256608 NA MeJP NA NA +MJ060551 Diproteverine C26H35NO4 425.256608 NA MeJP NA NA +MJ060552 Lythranidine C26H35NO4 425.256608 NA MeJP NA NA +MJ060553 Piriprost C26H35NO4 425.256608 NA MeJP NA NA +MJ060554 21-(3,4-Dihydro-3-methyl-2H-pyrrol-5-yl)-3-hydroxy-20-methylpregnane-6,21-dione, 3-Ketone C27H39NO3 425.292994 NA MeJP NA NA +MJ060555 Jervine C27H39NO3 425.292994 NA MeJP NA NA +MJ060556 Petisidinine C27H39NO3 425.292994 NA MeJP NA NA +MJ060557 Veralodine C27H39NO3 425.292994 NA MeJP NA NA +C10811 Jervine C27H39NO3 425.293 NA KEGG NA NA +CJpos0789 Cholic acid [(M+H)+(NH3)]+ C24H44O5N 425.313575 C18rt(min)=9.25 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0789 Cholic acid [(M+H)+(NH3)]+ C24H44O5N 425.313575 C18rt(min)=9.25 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ060558 15-Azasterol; 16-Oxo C28H43NO2 425.329379 NA MeJP NA NA +MJ060559 Mycalazoles; Mycalazole 3 C28H43NO2 425.329379 NA MeJP NA NA +HMDB05065 Oleoylcarnitine C25H47NO4 425.350494 NA HMDB2010 NA NA +HMDB06351 Vaccenyl carnitine C25H47NO4 425.350494 NA HMDB2010 NA NA +HMDB06464 Elaidic carnitine C25H47NO4 425.350494 NA HMDB2010 NA NA +HMDB13338 11Z-Octadecenylcarnitine C25H47NO4 425.350494 NA HMDB2010 NA NA +HMDB06464 Elaidic carnitine C25H47NO4 425.35052 http://www.hmdb.ca/metabolites/HMDB06464 HMDB NA NA +HMDB06464 Elaidic carnitine C25H47NO4 425.35052 HMDB06464 PFEM_hmdb_metabocards_official NA NA +MJ060560 4-Methyl-15-azasterol C29H47NO 425.365765 NA MeJP NA NA +HMDB01395 Ceramide C26H51NO3 425.3869 http://www.hmdb.ca/metabolites/HMDB01395 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01395 Ceramide C26H51NO3 425.3869 http://www.hmdb.ca/metabolites/HMDB01395 HMDB NA NA +HMDB01395 Ceramide C26H51NO3 425.3869 http://www.hmdb.ca/metabolites/HMDB01395 PFEM_hmdb_metabocards_blood NA blood +HMDB01395 Ceramide C26H51NO3 425.3869 HMDB01395 PFEM_hmdb_metabocards_official NA NA +MJ060561 1,1,3,3-Tetrabromo-2-heptanone C7H10Br4O 425.746515 NA MeJP NA NA +MJ060562 4-Hydroxy-3,5-diiodobenzenesulfonic acid C6H4I2O4S 425.791966 NA MeJP NA NA +MJ060563 2,10-Dibromo-3-chloro-5,10-epoxy-8-chamigren-7-ol C15H21Br2ClO2 425.959682 NA MeJP NA NA +MJ060564 2,10-Dibromo-3-chloro-7,8-epoxy-9-chamigren-5-ol C15H21Br2ClO2 425.959682 NA MeJP NA NA +MJ060565 Chlorisondamine(2+); Dichloride C14H20Cl6N2 425.975764 NA MeJP NA NA +MJ060566 Psoromic acid; 2,7-Dichloro, O-de-Me, Me ester C18H12Cl2O8 425.990922 NA MeJP NA NA +MJ060567 Ellagic acid; 2-(2,3,4-Trihydroxyphenyl) ether C20H10O11 426.022311 NA MeJP NA NA +FL5FECGSS001 Axillarin 7-sulfate;Quercetagetin 3,6-dimethyl ether 7-sulfate;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-7-(sulfooxy)-4H-1-benzopyran-4-one C17H14O11S 426.02568 737749-32-5 knapsack NA NA +FL5FECNSS005 Eupatolitin 3-O-sulfate C17H14O11S 426.02568 74552-02-6 knapsack NA NA +FL5FECNSS006 Spinacetin 3-O-sulfate C17H14O11S 426.02568 111348-30-2 knapsack NA NA +MJ060568 3,3',4',5-Tetrahydroxy-6,7-dimethoxyflavone; 3-O-Sulfate C17H14O11S 426.025681 NA MeJP NA NA +MJ060569 3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-Sulfate C17H14O11S 426.025681 NA MeJP NA NA +C17388 L-Galacturonic acid calcium salt C12H18CaO14 426.0322 NA KEGG NA NA +C17477 D-Galacturonic acid calcium salt C12H18CaO14 426.0322 NA KEGG NA NA +MJ060570 Etofamide C19H20Cl2N2O5 426.074927 NA MeJP NA NA +C05526 S-Glutathionyl-L-cysteine C13H22N4O8S2 426.0879 NA KEGG NA NA +PJ001256 SCCD C13H22N4O8S2 426.0879 NA PeJP NA NA +MetaCyc03501 S-glutathionyl-L-cysteine [glutathione-L-cysteine mixed-disulfide;] C13H22N4O8S2 426.087905 NA metacyc NA NA +HMDB00656 Cysteineglutathione disulfide C13H22N4O8S2 426.08792 http://www.hmdb.ca/metabolites/HMDB00656 HMDB NA NA +HMDB00656 Cysteineglutathione disulfide C13H22N4O8S2 426.08792 HMDB00656 PFEM_hmdb_metabocards_official NA NA +TEST005 cys-GSH (cysteine gluthatione disulfide ?) C13H22N4O8S2 426.087921 http://www.hmdb.ca/metabolites/HMDB00656 PFEM_hmdb_metabocards_urine NA urine +TEST005 cys-GSH (cysteine gluthatione disulfide ?) C13H22N4O8S2 426.087921 http://www.hmdb.ca/metabolites/HMDB00656 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +TEST005 cys-GSH (cysteine gluthatione disulfide ?) C13H22N4O8S2 426.087921 http://www.hmdb.ca/metabolites/HMDB00656 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +TEST005 cys-GSH (cysteine gluthatione disulfide ?) C13H22N4O8S2 426.087921 http://www.hmdb.ca/metabolites/HMDB00656 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +TEST005 cys-GSH (cystéine gluthatione disulfide ?) C13H22N4O8S2 426.087921 http://www.hmdb.ca/metabolites/HMDB00656 HMDB NA NA +HMDB00656 Cysteineglutathione disulfide C13H22N4O8S2 426.087921 NA HMDB2010 NA NA +TEST005 cys-GSH (cysteine gluthatione disulfide ?) C13H22N4O8S2 426.087921 http://www.hmdb.ca/metabolites/HMDB00656 Inhouse_PFEM NA NA +TEST005 cys-GSH (cysteine gluthatione disulfide ?) C13H22N4O8S2 426.087921 http://www.hmdb.ca/metabolites/HMDB00656 PFEM_hmdb_metabocards_blood NA blood +TEST005 cys-GSH (cysteine gluthatione disulfide ?) C13H22N4O8S2 426.087921 http://www.hmdb.ca/metabolites/HMDB00656 PFEM_hmdb_metabocards_official NA NA +MJ060571 Eustoside C16H23ClO11 426.092889 NA MeJP NA NA +MJ060572 Barbamide; Dechloro C20H24Cl2N2O2S 426.093554 NA MeJP NA NA +FL63AANS0004 Epiafzelechin 3-O-gallate C22H18O9 426.09508 108907-43-3 knapsack NA NA +FL63AGNS0015 Epigallocatechin 3-O-(4-hydroxybenzoate) C22H18O9 426.09508 159390-94-0 knapsack NA NA +MJ060573 3,3',4',5,5',7-Hexahydroxyflavan, 3-O-(4-Hydroxybenzoyl) C22H18O9 426.095082 NA MeJP NA NA +MJ060574 3,4',5,7-Tetrahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) C22H18O9 426.095082 NA MeJP NA NA +MJ060575 Isidiophorin C22H18O9 426.095082 NA MeJP NA NA +MJ060576 Maggiemycin C22H18O9 426.095082 NA MeJP NA NA +MJ060577 [p-Terphenyl]-2',3,3',4,4'',5',6'-heptol; 2',3'-Di-Ac C22H18O9 426.095082 NA MeJP NA NA +PJ001257 ACCM C14H26N4O5S3 426.1066 NA PeJP NA NA +MJ060578 13-Chloro-3,10-epoxy-8,11,15-trihydroxy-2,4-germacradien-12,6-olide, 8-Angeloyl C20H23ClO8 426.108145 NA MeJP NA NA +MJ060579 Campestroside C19H22O11 426.116211 NA MeJP NA NA +MJ060580 Hisphen C19H24Cl2N4O3 426.122546 NA MeJP NA NA +PJ001258 SSCM C14H26N4O7S2 426.1243 NA PeJP NA NA +MJ060581 Fenbenicillin C22H22N2O5S 426.124942 NA MeJP NA NA +MJ060582 N,N'-Bis(4-nitrophenyl)urea; Compd. wtih 4,6-Dimethyl-2-pyrimidinol (1:1) C19H18N6O6 426.128782 NA MeJP NA NA +FL3FFGNP0002 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one C23H22O8 426.13146 259814-41-0 knapsack NA NA +FL5FFCNI0006 5-Hydroxy-3,8-dimethoxy-3',4'-methylenedioxy-7-prenyloxyflavone C23H22O8 426.13146 132550-33-5 knapsack NA NA +FLIFALNF0003 Villosin;6-Hydroxysumatrol C23H22O8 426.13146 65160-15-8 knapsack NA NA +FLIFHXNF0008 Dalbinol C23H22O8 426.13146 41993-79-7 knapsack NA NA +FLIFHXNF0009 Villosinol;12a-Hydroxysumatrol C23H22O8 426.13146 60077-63-6 knapsack NA NA +FLIFHXNP0003 11-Hydroxytephrosin C23H22O8 426.13146 72458-85-6 knapsack NA NA +MJ060583 2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1',4-Dibenzoyl, 3-Ac C23H22O8 426.131467 NA MeJP NA NA +MJ060584 2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1,4-Dibenzoyl, 1'-Ac C23H22O8 426.131467 NA MeJP NA NA +MJ060585 3,3',4',5,7,8-Hexahydroxyflavone; 3',4'-Methylene, 3,8-di-Me ether, 7-O-(3-methyl-2-butenyl) C23H22O8 426.131467 NA MeJP NA NA +MJ060586 5-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1',3-Dibenzoyl, 1-Ac C23H22O8 426.131467 NA MeJP NA NA +MJ060587 5-Hydroxy-2,2-dimethyl-8-(3,4,5-trihydroxyphenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one; 8-Methoxy, 3',5'-di-Me ether C23H22O8 426.131467 NA MeJP NA NA +MJ060588 ?-Toxicarol; 12a-Hydroxy C23H22O8 426.131467 NA MeJP NA NA +MJ060589 Austocystin B; 3a-Hydroxy, 4-Me ether C23H22O8 426.131467 NA MeJP NA NA +MJ060590 Caloxanthone D C23H22O8 426.131467 NA MeJP NA NA +MJ060591 Dalbinol C23H22O8 426.131467 NA MeJP NA NA +MJ060592 Hemidesminine C23H22O8 426.131467 NA MeJP NA NA +MJ060593 Jatrodiene C23H22O8 426.131467 NA MeJP NA NA +MJ060594 Lasiocarpin A C23H22O8 426.131467 NA MeJP NA NA +MJ060595 Sumatrol; 6?-Hydroxy C23H22O8 426.131467 NA MeJP NA NA +MJ060596 Tephrosin, 13R-Hydroxy C23H22O8 426.131467 NA MeJP NA NA +MJ060597 Tephrosin, 6-Hydroxy C23H22O8 426.131467 NA MeJP NA NA +MJ060598 Villol; 6-Deoxy C23H22O8 426.131467 NA MeJP NA NA +MJ060599 Meclorisone C22H28Cl2O4 426.136464 NA MeJP NA NA +MJ060600 Mometasone C22H28Cl2O4 426.136464 NA MeJP NA NA +C07816 Mometasone C22H28Cl2O4 426.1365 NA KEGG NA NA +MJ060601 Polyoxin I C17H22N4O9 426.138678 NA MeJP NA NA +MJ060602 1-Cyclopropyl-8-(difluoromethoxy)-7-(2,3-dihydro-1-methyl-1H-isoindol-5-yl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid C23H20F2N2O4 426.139113 NA MeJP NA NA +C02811 Anhydrotetracycline C22H22N2O7 426.1427 NA KEGG NA NA +MetaCyc03502 anhydrotetracycline [] C22H22N2O7 426.142701 4496-85-9 metacyc NA NA +MJ060603 Chloroxymorphamine C21H28Cl2N2O3 426.147698 NA MeJP NA NA +HMDB03556 Chitobiose C15H26N2O12 426.14856 http://www.hmdb.ca/metabolites/HMDB03556 HMDB NA NA +HMDB03556 Chitobiose C15H26N2O12 426.14856 HMDB03556 PFEM_hmdb_metabocards_official NA NA +HMDB03556 Chitobiose C15H26N2O12 426.14856 NA HMDB2010 NA NA +MJ060604 N-[[(9-?-D-Ribofuranosyl-9H-purin-6-yl)amino]carbonyl]threonine; N6-Me C16H22N6O8 426.149911 NA MeJP NA NA +MJ060605 3-[[6-[3-(Aminoiminomethyl)phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N-dimethylbenzamide C22H20F2N4O3 426.150346 NA MeJP NA NA +MJ060606 2,3-Dihydro-7-hydroxy-2,2-dimethyl-4-oxo-4H-1-benzopyran-6-propanoic acid; O-?-D-Glucopyranoside C20H26O10 426.152597 NA MeJP NA NA +MJ060607 4-Hydroxy-2-pentanone, O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranoside] C20H26O10 426.152597 NA MeJP NA NA +MJ060608 8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 3'-O-?-D-Glucopyranoside C20H26O10 426.152597 NA MeJP NA NA +MJ060609 8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-O-?-D-Glucopyranoside C20H26O10 426.152597 NA MeJP NA NA +MJ060610 Aloesinol, 1'-Hydroxy, 7-Me ether C20H26O10 426.152597 NA MeJP NA NA +MJ060611 Brucein E; 18-Hydroxy, 2-ketone C20H26O10 426.152597 NA MeJP NA NA +MJ060612 Eurycomanol; 13,18-Dihydro, 13-hydroxy, 2-ketone C20H26O10 426.152597 NA MeJP NA NA +MJ060613 Hypurticin C20H26O10 426.152597 NA MeJP NA NA +MJ060614 Indaquassin X C20H26O10 426.152597 NA MeJP NA NA +MJ060615 Peucedanol, 2'-O-?-D-Glucopyranoside C20H26O10 426.152597 NA MeJP NA NA +MJ060616 Peucedanol, 3'-O-?-D-Glucopyranoside C20H26O10 426.152597 NA MeJP NA NA +MJ060617 Peucedanol, 7-O-?-D-Glucopyranoside C20H26O10 426.152597 NA MeJP NA NA +MJ060618 Peucedanol, 3'-O-?-D-Glucopyranoside C20H26O10 426.152597 NA MeJP NA NA +MJ060619 Peucedanol, 7-O-?-D-Glucopyranoside C20H26O10 426.152597 NA MeJP NA NA +MJ060620 Synargentolide D; 5-Deoxy, stereoisomer, 1',2'-di-Ac C20H26O10 426.152597 NA MeJP NA NA +MJ060621 3-Ethyl 5-methyl 1,4-dihydro-2-(1H-imidazol-1-ylmethyl)-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate C21H22N4O6 426.153934 NA MeJP NA NA +PJ001259 NMY C18H26N4O6S 426.1573 NA PeJP NA NA +MJ060622 Cetotiamine C18H26N4O6S 426.157305 NA MeJP NA NA +MJ060623 Ticabesone C22H28F2O4S 426.167636 NA MeJP NA NA +FL1DHYNP0001 Ponganone VIII;3-(1,3-Benzodioxol-5-yl)-1-(5,8-dimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-methoxy-1-propanone C24H26O7 426.16785 142608-94-4 knapsack NA NA +FL2F19NC0002 (+)-Tephrorin A;Tephrorin A C24H26O7 426.16785 261767-62-8 knapsack NA NA +MJ060624 1,3,5,6-Tetrahydroxy-2,4-diprenylxanthone; 7-Methoxy C24H26O7 426.167853 NA MeJP NA NA +MJ060625 1-(3,7-Dimethyl-2,6-octadienyl)-2,3,6,8-tetrahydroxyxanthone, 6',7'-Epoxy, 2-Me ether C24H26O7 426.167853 NA MeJP NA NA +MJ060626 1-(3,7-Dimethyl-2,6-octadienyl)-2,3,6,8-tetrahydroxyxanthone, ?5'-Isomer, 7'-hydroxy, 2-Me ether C24H26O7 426.167853 NA MeJP NA NA +MJ060627 11-Hydroxy-?-isomangostin C24H26O7 426.167853 NA MeJP NA NA +MJ060628 Calabaxanthone; 3,4-Dihydro, 3,9-dihydroxy C24H26O7 426.167853 NA MeJP NA NA +MJ060629 Citrunobin; 3,5-Dimethoxy, 4-Me ether C24H26O7 426.167853 NA MeJP NA NA +MJ060630 Decursidinol, 4'-Angeloyl, 3'-(3-methyl-2-butenoyl) C24H26O7 426.167853 NA MeJP NA NA +MJ060631 Decursidinol, O,O-Diangeloyl C24H26O7 426.167853 NA MeJP NA NA +MJ060632 Decursidinol, 3'-O-(3-Methyl-2-butenoyl), 4'-angeloyl C24H26O7 426.167853 NA MeJP NA NA +MJ060633 Decursidinol, 4'-O-(3-Methyl-2-butenoyl), 3'-O-angeloyl C24H26O7 426.167853 NA MeJP NA NA +MJ060634 Decursidinol, Diangeloyl C24H26O7 426.167853 NA MeJP NA NA +MJ060635 Decursidinol, O,O-Bis(3-methyl-2-butenoyl) C24H26O7 426.167853 NA MeJP NA NA +MJ060636 Garcinisidone A C24H26O7 426.167853 NA MeJP NA NA +MJ060637 Glechonin A C24H26O7 426.167853 NA MeJP NA NA +MJ060638 Khellactone, 10-Angeloyl, 9-O-(3-methyl-2-butenoyl) C24H26O7 426.167853 NA MeJP NA NA +MJ060639 Khellactone, 9-O-(2,7-Dimethyl-5-oxo-2,6-octadienoyl) C24H26O7 426.167853 NA MeJP NA NA +MJ060640 Khellactone, 9-O-Angeloyl, 10-O-(3-methyl-2-butenoyl) C24H26O7 426.167853 NA MeJP NA NA +MJ060641 Khellactone, Bis-O-(3-methyl-2-butenoyl) C24H26O7 426.167853 NA MeJP NA NA +MJ060642 Khellactone, Diangeloyl C24H26O7 426.167853 NA MeJP NA NA +MJ060643 Khellactone, 9-Angeloyl, 10-O-(3-methyl-2-butenoyl) C24H26O7 426.167853 NA MeJP NA NA +MJ060644 Khellactone, Bis-O-(3-methyl-2-butenoyl) C24H26O7 426.167853 NA MeJP NA NA +MJ060645 Khellactone, Diangeloyl C24H26O7 426.167853 NA MeJP NA NA +MJ060646 Oxysiphulin C24H26O7 426.167853 NA MeJP NA NA +MJ060647 Ponganone VIII C24H26O7 426.167853 NA MeJP NA NA +MJ060648 Secomacrotolide; 6?-Cinnamoyloxy, 1,10-dihydro, 1-oxo C24H26O7 426.167853 NA MeJP NA NA +MJ060649 Siphulin C24H26O7 426.167853 NA MeJP NA NA +MJ060650 Spirosenbergiolide C24H26O7 426.167853 NA MeJP NA NA +MJ060651 Vaginidiol; Bis-O-(3-methyl-2-butenoyl) C24H26O7 426.167853 NA MeJP NA NA +MJ060652 Vaginidiol; O,O-Diangeloyl C24H26O7 426.167853 NA MeJP NA NA +C09116 Archangelicin C24H26O7 426.1679 NA KEGG NA NA +C09261 Disenecionyl cis-khellactone C24H26O7 426.1679 NA KEGG NA NA +PJ001260 APCH C17H26N6O5S 426.1686 NA PeJP NA NA +MJ060653 2-[6-Oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1(6H)-pyridazinyl]-1-cyclohexene-1-acetic acid C25H22N4O3 426.16919 NA MeJP NA NA +MJ060654 4-Hydroxy-2-pentanone, 4-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C17H30O12 426.173726 NA MeJP NA NA +PJ001261 GSTY C18H26N4O8 426.1751 NA PeJP NA NA +MJ060655 Kopsaporine C23H26N2O6 426.179086 NA MeJP NA NA +MJ060656 Narceine imide C23H26N2O6 426.179086 NA MeJP NA NA +MJ060657 Panamesine C23H26N2O6 426.179086 NA MeJP NA NA +MJ060658 Vomicine; 11-Methoxy, 19?,20?-epoxide C23H26N2O6 426.179086 NA MeJP NA NA +MJ060659 Vomicine; 19?,20?-Epoxide, 15-hydroxy, Me ether C23H26N2O6 426.179086 NA MeJP NA NA +4012 LDC, alpha-chain CKDDQNPH 426.17935 MH2+ Inhouse_peptide NA peptide +MJ060660 Isoperrottetin A C28H26O4 426.183109 NA MeJP NA NA +MJ060661 Perrottetin E C28H26O4 426.183109 NA MeJP NA NA +8055 synthetic peptide RHD 426.1859 antioxidative Inhouse_peptide NA peptide +PJ001262 AAEH C17H26N6O7 426.1863 NA PeJP NA NA +MJ060662 Mespirenone C25H30O4S 426.18648 NA MeJP NA NA +MJ060663 1(10),4,11(13)-Germacratrien-12,6-olid-14-oic acid, 11,13-Dihydro, ?-D-glucopyranosyl ester C21H30O9 426.188982 NA MeJP NA NA +MJ060664 1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 15-Aldehyde, 1-O-?-D-glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060665 15-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, O-?-D-glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060666 15-Hydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 15-O-?-D-glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060667 3,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 3-O-?-D-Glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060668 3,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 3-O-?-D-Glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060669 3,11-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 3-O-?-D-Glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060670 3,14-Dihydroxy-1(10),4-germacradien-12,6-olide, 14-Aldehyde, 3-O-?-D-glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060671 3,4-Dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 3-O-?-D-Glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060672 3,8-Dihydroxy-10(14)-guaien-12,6-olide, 11,13-Didehydro, 3-O-?-D-glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060673 3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 3-O-?-D-Glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060674 3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 8-O-?-D-Glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060675 3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 3-O-?-D-Glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060676 3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 8-O-?-D-Glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060677 3,9-Dihydroxy-10(14)-guaien-12,6-olide, 4,15-Didehydro, 3-O-?-D-glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060678 3,9-Dihydroxy-10(14)-guaien-12,6-olide, 4,15-Didehydro, 9-O-?-D-glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060679 8,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 15-O-?-D-glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060680 Abscisic acid, ?-D-Glucopyranosyl ester C21H30O9 426.188982 NA MeJP NA NA +MJ060681 Napiferoside C21H30O9 426.188982 NA MeJP NA NA +MJ060682 Onitisin, 4-O-?-D-Glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060683 Pterosin D, 14-Hydroxy, 4-O-?-D-glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060684 Pterosin D, 15-Hydroxy, 4-O-?-D-glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +MJ060685 Pterosin L, 4-O-?-D-Glucopyranoside C21H30O9 426.188982 NA MeJP NA NA +C15970 Abscisic acid glucose ester C21H30O9 426.189 NA KEGG NA NA +PJ001263 NFF C22H26N4O5 426.1903 NA PeJP NA NA +MJ060686 Cyanonaphthyridinomycin C22H26N4O5 426.190319 NA MeJP NA NA +MJ060687 Ripisartan C23H22N8O 426.191657 NA MeJP NA NA +MJ060688 [2,3-Dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenylmethanone C27H26N2O3 426.194342 NA MeJP NA NA +MJ060689 Iloperidone C24H27FN2O4 426.195485 NA MeJP NA NA +PJ001264 DHR C16H26N8O6 426.1976 NA PeJP NA NA +2938 myelopeptide VDPP 426.1989 celiac toxic Inhouse_peptide NA peptide +FL1DACNI0001 2',4',6',3,4-Pentahydroxy- 3',5-diprenyldihydrochalcone C25H30O6 426.20423 205109-20-2 knapsack NA NA +FL1DEANI0001 3'-Geranyl-4,2',4',5',6'-pentahydroxydihydrochalcone C25H30O6 426.20423 76015-50-4 knapsack NA NA +FL1DEANI0002 4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone C25H30O6 426.20423 76015-51-5 knapsack NA NA +FL2FA8NI0008 Kushenol T;(2S)-5,7,2'-Trihydroxy-8-(5-hydroxy-2-isopropenyl-5-methylhexyl)flavanone C25H30O6 426.20423 254886-73-2 knapsack NA NA +FL6F1CNP0003 Broussoflavan A C25H30O6 426.20423 160262-53-3 knapsack NA NA +MJ060690 1,3,8-Trihydroxy-6-methylxanthone; 3-O-(7-Methoxy-3,7-dimethyl-2-octenyl)(E-) C25H30O6 426.204238 NA MeJP NA NA +MJ060691 1-[3-(3,7-Dimethyl-2,6-octadienyl)-2,4,5,6-tetrahydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone C25H30O6 426.204238 NA MeJP NA NA +MJ060692 2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-(6,7-Epoxy-2,6-dimethyl-2-octenoyl)(E-) C25H30O6 426.204238 NA MeJP NA NA +MJ060693 2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-(6-Hydroxy-2,6-dimethyl-2,7-octadienoyl)(E-) C25H30O6 426.204238 NA MeJP NA NA +MJ060694 2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-(7-Hydroxy-2-methyl-6-methylene-2-octenoyl)(E-) C25H30O6 426.204238 NA MeJP NA NA +MJ060695 3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 3,6-Diangeloyl C25H30O6 426.204238 NA MeJP NA NA +MJ060696 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3,8-Ditigloyl C25H30O6 426.204238 NA MeJP NA NA +MJ060697 Ammodoremin C25H30O6 426.204238 NA MeJP NA NA +MJ060698 Andibenin A; 6'-De-hydroxy, 6',7'-didehydro C25H30O6 426.204238 NA MeJP NA NA +MJ060699 Bergamottin; ?5'-Isomer, 7'-(1-ethoxyethoxy) C25H30O6 426.204238 NA MeJP NA NA +MJ060700 Cochliobolic acid C25H30O6 426.204238 NA MeJP NA NA +MJ060701 Cyclolycoserone; 10'-Hydroxy C25H30O6 426.204238 NA MeJP NA NA +MJ060702 Doremone A C25H30O6 426.204238 NA MeJP NA NA +MJ060703 Ecklonoquinone A C25H30O6 426.204238 NA MeJP NA NA +MJ060704 Ecklonoquinone B C25H30O6 426.204238 NA MeJP NA NA +MJ060705 Isolycoserone; 10'S-Hydroxy C25H30O6 426.204238 NA MeJP NA NA +MJ060706 Kazinol B; 3',4'-Dihydro, 3'?,4'?-dihydroxy C25H30O6 426.204238 NA MeJP NA NA +MJ060707 Kushenol A; 4'',5''-Dihydro, 5''-hydroxy C25H30O6 426.204238 NA MeJP NA NA +MJ060708 Lycoserone; 10'-Hydroxy C25H30O6 426.204238 NA MeJP NA NA +MJ060709 Neoaustin C25H30O6 426.204238 NA MeJP NA NA +MJ060710 Pinoresinol, 4-O-(3-Methyl-2-butenyl) C25H30O6 426.204238 NA MeJP NA NA +3979 ACE inhibitor VLDTDYK 426.2049 MH2+ Inhouse_peptide NA peptide +MJ060711 Paliperidone C23H27FN4O3 426.206718 NA MeJP NA NA +MJ060712 Perospirone C23H30N4O2S 426.208946 NA MeJP NA NA +MJ060713 1-Hexanol; O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C18H34O11 426.210111 NA MeJP NA NA +MJ060714 1-Hexanol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C18H34O11 426.210111 NA MeJP NA NA +MJ060715 4-Methyl-1-pentanol; O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] C18H34O11 426.210111 NA MeJP NA NA +PJ001265 PPVD C19H30N4O7 426.2115 NA PeJP NA NA +MJ060716 11-Methoxyyohimbine; O-Ac C24H30N2O5 426.215472 NA MeJP NA NA +MJ060717 Cathovaline C24H30N2O5 426.215472 NA MeJP NA NA +MJ060718 Dihydrocorymine; 3-Epimer, O17-Ac C24H30N2O5 426.215472 NA MeJP NA NA +MJ060719 Holstiine; Me ether, 10-methoxy C24H30N2O5 426.215472 NA MeJP NA NA +MJ060720 Minovincinine, 11-Methoxy, O-Ac C24H30N2O5 426.215472 NA MeJP NA NA +MJ060721 Obscurinervine; 22-Deethyl-22-methyl, 14,15-dihydro C24H30N2O5 426.215472 NA MeJP NA NA +MJ060722 Pleiocarpine; 12-Methoxy C24H30N2O5 426.215472 NA MeJP NA NA +MJ060723 Strychnobrasiline; 10,11-Dimethoxy C24H30N2O5 426.215472 NA MeJP NA NA +MJ060724 Vindolidine C24H30N2O5 426.215472 NA MeJP NA NA +MJ060725 Echitamine; 17-Ac C24H31N2O5(+) 426.215472 NA MeJP NA NA +MJ060726 Reserpiline; 3-Epimer, N4-Me C24H31N2O5(+) 426.215472 NA MeJP NA NA +MJ060727 Reserpiline; N4-Me C24H31N2O5(+) 426.215472 NA MeJP NA NA +MJ060728 5,6,7,8-Tetrahydro-2-propyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4(3H)-cycloheptimidazolone C25H26N6O 426.216809 NA MeJP NA NA +PJ001266 GTLH C18H30N6O6 426.2227 NA PeJP NA NA +MJ060729 2,8,9,11,14-Pentahydroxy-5-briaren-18,7-olide, 9-Ac C22H34O8 426.225368 NA MeJP NA NA +MJ060730 7,20-Epoxy-1,6,7,15,16,17-kauranehexol, 17-Ac C22H34O8 426.225368 NA MeJP NA NA +MJ060731 7,20-Epoxy-6,7,14,15,16,17-kauranehexol, 17-Ac C22H34O8 426.225368 NA MeJP NA NA +MJ060732 Cinnzeylanol; 1-Ac C22H34O8 426.225368 NA MeJP NA NA +MJ060733 Terephthalamidine C24H26N8 426.228042 NA MeJP NA NA +MJ060734 Kalihinol A; 10-Formamide, 5-isocyanate C22H35ClN2O4 426.228535 NA MeJP NA NA +MJ060735 Darifenacin C28H30N2O2 426.230728 NA MeJP NA NA +MJ060736 1,9-Dihydroxydihydro-?-agarofuran, 9-Cinnamoyl, 1-Ac C26H34O5 426.240624 NA MeJP NA NA +MJ060737 4,4'-Oxybisbenzoic acid; Dihexyl ester C26H34O5 426.240624 NA MeJP NA NA +MJ060738 7,21-Dihydroxy-24,25,26,27-tetranor-3-oxoapotirucalla-14,20(22)-dien-23,21-olide, 1,2-Didehydro C26H34O5 426.240624 NA MeJP NA NA +MJ060739 Deflectin 2b C26H34O5 426.240624 NA MeJP NA NA +MJ060740 Farnochrol C26H34O5 426.240624 NA MeJP NA NA +MJ060741 Fekrynol; O-Ac C26H34O5 426.240624 NA MeJP NA NA +MJ060742 Ouabanginone C26H34O5 426.240624 NA MeJP NA NA +MJ060743 Strongylophorine 6 C26H34O5 426.240624 NA MeJP NA NA +7500 ACE inhibitor from b-CN SLVLPVPE 426.241 MH2+ Inhouse_peptide NA peptide +MJ060744 Oxatomide C27H30N4O 426.241961 NA MeJP NA NA +PJ001267 PPTL C20H34N4O6 426.2479 NA PeJP NA NA +MJ060745 Fexicaine C25H34N2O4 426.251857 NA MeJP NA NA +MJ060746 3,5,6,10,14,16-Grayanotoxanehexol, 14-Propanoyl C23H38O7 426.261753 NA MeJP NA NA +MJ060747 8,15,18-Labdanetriol, 18-Carboxylic acid, 15-malonyl ester C23H38O7 426.261753 NA MeJP NA NA +MJ060748 Protylonolide; 19,23-Dihydroxy C23H38O7 426.261753 NA MeJP NA NA +MJ060749 Angolide C22H38N2O6 426.272986 NA MeJP NA NA +C08581 Azafrin C27H38O4 426.277 NA KEGG NA NA +MJ060750 17,19,22,24-Tetrahydroxyturriane; 22-Me ether C27H38O4 426.277009 NA MeJP NA NA +MJ060751 3,4-Dihydroxy-2-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)benzoic acid C27H38O4 426.277009 NA MeJP NA NA +MJ060752 3,4-Dihydroxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)benzoic acid C27H38O4 426.277009 NA MeJP NA NA +MJ060753 8(17),13-Labdadiene-6,15,18-triol, 6-Benzoyl C27H38O4 426.277009 NA MeJP NA NA +MJ060754 9-(3,4-Dihydro-6-hydroxy-2,8-dimethyl-2H-1-benzopyran-2-yl)-6-methyl-2-(4-methyl-3-pentenyl)-2,6-nonadienoic acid C27H38O4 426.277009 NA MeJP NA NA +MJ060755 Adriaticone; Hydroquinone C27H38O4 426.277009 NA MeJP NA NA +MJ060756 Antibiotic BR 050; 2-Ketone C27H38O4 426.277009 NA MeJP NA NA +MJ060757 Azafrin C27H38O4 426.277009 NA MeJP NA NA +MJ060758 Comnostin A; 23-Aldehyde C27H38O4 426.277009 NA MeJP NA NA +MJ060759 Comnostin E C27H38O4 426.277009 NA MeJP NA NA +MJ060760 Desmarestial C27H38O4 426.277009 NA MeJP NA NA +MJ060761 Inorolide A; 24-Deoxy, 24,25-didehydro C27H38O4 426.277009 NA MeJP NA NA +MJ060762 Kombic acid C27H38O4 426.277009 NA MeJP NA NA +MJ060763 Noscomin C27H38O4 426.277009 NA MeJP NA NA +MJ060764 Papuaforin C C27H38O4 426.277009 NA MeJP NA NA +MJ060765 Sargahydroquinoic acid C27H38O4 426.277009 NA MeJP NA NA +MJ060766 Sargaquinone; 8',9'-Dihydroxy C27H38O4 426.277009 NA MeJP NA NA +MJ060767 Sargatriol C27H38O4 426.277009 NA MeJP NA NA +MJ060768 Spirost-4-ene-3,12-dione C27H38O4 426.277009 NA MeJP NA NA +MJ060769 Strongylophorine 5; 19-Carboxylic acid, Me ether C27H38O4 426.277009 NA MeJP NA NA +MJ060770 Stypoldione C27H38O4 426.277009 NA MeJP NA NA +MJ060771 Stypoquinonic acid C27H38O4 426.277009 NA MeJP NA NA +MJ060772 Subglutinol A C27H38O4 426.277009 NA MeJP NA NA +MJ060773 UFC 6401 C27H38O4 426.277009 NA MeJP NA NA +MJ060774 ?-Tocotrienoloic acid C27H38O4 426.277009 NA MeJP NA NA +PJ001268 PVVL C21H38N4O5 426.2842 NA PeJP NA NA +MJ060775 2',4'-[Bis(2-diethylamino)ethoxy]-2-phenylacetophenone C26H38N2O3 426.288243 NA MeJP NA NA +MJ060776 Prospasmin C26H38N2O3 426.288243 NA MeJP NA NA +MJ060777 Isoleucylisoleucylargininal; N-Ac C20H38N6O4 426.295453 NA MeJP NA NA +MJ060778 Isoleucylleucylargininal; N-Ac C20H38N6O4 426.295453 NA MeJP NA NA +MJ060779 Leucylisoleucylargininal; N-Ac C20H38N6O4 426.295453 NA MeJP NA NA +MJ060780 Leupeptin Ac-LL C20H38N6O4 426.295453 NA MeJP NA NA +C01591 Leupeptin C20H38N6O4 426.2955 NA KEGG NA NA +MJ060781 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-(3-Cyclohexylpropanoyl) C28H42O3 426.313395 NA MeJP NA NA +MJ060782 18,20-Dihydroxyergosta-1,4,22-trien-3-one C28H42O3 426.313395 NA MeJP NA NA +MJ060783 5,6-Epoxy-3-hydroxyergosta-8(14),22-dien-7-one C28H42O3 426.313395 NA MeJP NA NA +MJ060784 5,6-Epoxyergosta-8,14,22-triene-3,7-diol C28H42O3 426.313395 NA MeJP NA NA +MJ060785 5,8-Epidioxyergosta-6,22,25-trien-3-ol C28H42O3 426.313395 NA MeJP NA NA +MJ060786 5,8-Epidioxyergosta-6,9(11),22-trien-3-ol C28H42O3 426.313395 NA MeJP NA NA +MJ060787 5,8-Epidioxyergosta-6,9(11),24(28)-trien-3-ol C28H42O3 426.313395 NA MeJP NA NA +MJ060788 Geodisterol C28H42O3 426.313395 NA MeJP NA NA +MJ060789 Plucheasterolide C28H42O3 426.313395 NA MeJP NA NA +MJ060790 Stoloniferone A C28H42O3 426.313395 NA MeJP NA NA +MJ060791 Stoloniferone B C28H42O3 426.313395 NA MeJP NA NA +MJ060792 Stoloniolide I C28H42O3 426.313395 NA MeJP NA NA +MJ060793 3,20-Diaminopregn-5-en-4-one, N20-Me, N3-(3-methyl-2-butenoyl) C27H42N2O2 426.324628 NA MeJP NA NA +MJ060794 Harappamine; N20-Formyl, N-de-Me C27H42N2O2 426.324628 NA MeJP NA NA +MJ060795 Solaseaforthine C27H42N2O2 426.324628 NA MeJP NA NA +MJ060796 21-Hydroxy-30-nor-20(29)-friedelen-3-one; 21?-form C29H46O2 426.34978 NA MeJP NA NA +MJ060797 23,28-Cyclo-3-hydroxystigmast-5-en-4-one C29H46O2 426.34978 NA MeJP NA NA +MJ060798 24-Nor-4(23),22(29)-hopadiene-3,6,7-triol, 7-Deoxy C29H46O2 426.34978 NA MeJP NA NA +MJ060799 25-Hydroxystigmasta-4,22-dien-3-one C29H46O2 426.34978 NA MeJP NA NA +MJ060800 26,27-Cyclo-24,26-dimethylcholest-5-ene-3,7-diol, 7-Ketone C29H46O2 426.34978 NA MeJP NA NA +MJ060801 28-Nor-12,17-lupadiene-3,16-diol C29H46O2 426.34978 NA MeJP NA NA +MJ060802 28-Nor-16,18-oleanadiene-3,21-diol C29H46O2 426.34978 NA MeJP NA NA +MJ060803 29-Nor-3,22-hopanedione C29H46O2 426.34978 NA MeJP NA NA +MJ060804 29-Norcycloartane-3,24-dione C29H46O2 426.34978 NA MeJP NA NA +MJ060805 3-Hydroxy-27-norcycloart-23-en-25-one C29H46O2 426.34978 NA MeJP NA NA +MJ060806 3-Hydroxy-28-norolean-12-en-16-one, 12,13-Dihydro, 17,18-didehydro C29H46O2 426.34978 NA MeJP NA NA +MJ060807 3-Hydroxy-28-norolean-12-en-16-one C29H46O2 426.34978 NA MeJP NA NA +MJ060808 3-Hydroxy-4,4-dimethylcholesta-8,24-dien-23-one C29H46O2 426.34978 NA MeJP NA NA +MJ060809 3-Hydroxystigmast-22-en-6-one, 3-Ketone C29H46O2 426.34978 NA MeJP NA NA +MJ060810 3-Hydroxystigmasta-24(28),25-dien-29-al C29H46O2 426.34978 NA MeJP NA NA +MJ060811 3-Hydroxystigmasta-5,14-dien-16-one C29H46O2 426.34978 NA MeJP NA NA +MJ060812 3-Hydroxystigmasta-5,22-dien-7-one C29H46O2 426.34978 NA MeJP NA NA +MJ060813 4-Methylergosta-8,14,24(28)-triene-3,4-diol C29H46O2 426.34978 NA MeJP NA NA +MJ060814 6-Hydroxystigmasta-4,22-dien-3-one C29H46O2 426.34978 NA MeJP NA NA +MJ060815 6-Hydroxystigmasta-4,24(28)-dien-3-one C29H46O2 426.34978 NA MeJP NA NA +MJ060816 6-Hydroxystigmasta-4,24-dien-3-one C29H46O2 426.34978 NA MeJP NA NA +MJ060817 Albigenin C29H46O2 426.34978 NA MeJP NA NA +MJ060818 Celsiogenin A C29H46O2 426.34978 NA MeJP NA NA +MJ060819 Cholesta-5,23-diene-3,24-diol, 24-Vinyl ether C29H46O2 426.34978 NA MeJP NA NA +MJ060820 Oxidosenexone C29H46O2 426.34978 NA MeJP NA NA +MJ060821 Roxburghiadiol A; 6-Ketone C29H46O2 426.34978 NA MeJP NA NA +MJ060822 Senexonol C29H46O2 426.34978 NA MeJP NA NA +MJ060823 Stigmast-4-ene-3,6-diol, 3,6-Diketone C29H46O2 426.34978 NA MeJP NA NA +MJ060824 Stigmasta-4,25-diene-3,6-diol, 3-Ketone C29H46O2 426.34978 NA MeJP NA NA +MJ060825 Stigmasta-5,25-diene-3,7-diol, 7-Ketone C29H46O2 426.34978 NA MeJP NA NA +MetaCyc03503 4α-formyl-4β-methyl-5α-cholesta-8,24-dien-3β-ol [] C29H46O2 426.349781 NA metacyc NA NA +HMDB12167 4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol C29H46O2 426.349792 NA HMDB2010 NA NA +MJ060826 Buxamine I; N3,N3,N20-Tri-Me, N20-formyl C28H46N2O 426.361014 NA MeJP NA NA +MJ060827 Buxamine I; N3,N3-Di-Me, N20-Ac C28H46N2O 426.361014 NA MeJP NA NA +MJ060828 Moenjodaramine C28H46N2O 426.361014 NA MeJP NA NA +MJ060829 Pregn-16-ene-3,20-diamine, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl) C28H46N2O 426.361014 NA MeJP NA NA +MJ060830 Pregn-4-ene-3,20-diamine, N20,N20-Di-Me, N3-tigloyl C28H46N2O 426.361014 NA MeJP NA NA +MJ060831 Tryptamine; Nb-Octadecanoyl C28H46N2O 426.361014 NA MeJP NA NA +MJ060832 (S)-2,3-Epoxysqualene C30H50O 426.386166 NA MeJP NA NA +MJ060833 Cycloartenol C30H50O 426.386166 NA MeJP NA NA +MJ060834 Lanosterol C30H50O 426.386166 NA MeJP NA NA +MJ060835 10,11-Epoxysqualene C30H50O 426.386166 NA MeJP NA NA +MJ060836 12,21-Baccharadien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060837 12-Gammaceren-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060838 12-Lupanone C30H50O 426.386166 NA MeJP NA NA +MJ060839 12-Lupen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060840 12-Neohopen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060841 12-Oleanen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060842 12-Ursen-24-ol C30H50O 426.386166 NA MeJP NA NA +MJ060843 12-Ursen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060844 13(18)-Lupen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060845 13(18)-Neohopen-19-ol; 19?-form C30H50O 426.386166 NA MeJP NA NA +MJ060846 13(18)-Oleanen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060847 13(18)-Oleanen-9-ol; 9?-form C30H50O 426.386166 NA MeJP NA NA +MJ060848 14-Pteronen-7-ol; 7?-form C30H50O 426.386166 NA MeJP NA NA +MJ060849 14-Taraxeren-23-ol C30H50O 426.386166 NA MeJP NA NA +MJ060850 14-Taraxeren-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060851 14-Taraxeren-6-ol; 6?-form C30H50O 426.386166 NA MeJP NA NA +MJ060852 14-Taraxeren-7-ol; 7?-form C30H50O 426.386166 NA MeJP NA NA +MJ060853 16-Chiraten-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060854 16-Gammaceren-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060855 17(21)-Hopen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060856 17(21)-Hopene; 17?,21?-Epoxide C30H50O 426.386166 NA MeJP NA NA +MJ060857 17,29-Epoxyhopane C30H50O 426.386166 NA MeJP NA NA +MJ060858 18-Lupen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060859 18-Neohopen-12-ol C30H50O 426.386166 NA MeJP NA NA +MJ060860 18-Oleanen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060861 19(10?9)-Abeoeupha-5,24-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060862 2,3-Epoxysqualene C30H50O 426.386166 NA MeJP NA NA +MJ060863 2,6,10,15,19,23-Hexamethyl-1,6,10,14,18,22-tetracosahexaen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060864 20(29)-Lupen-28-ol C30H50O 426.386166 NA MeJP NA NA +MJ060865 20(29)-Lupen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060866 20(29)-Lupen-7-ol C30H50O 426.386166 NA MeJP NA NA +MJ060867 20(30)-Taraxasten-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060868 20(30)-Ursen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060869 20-Taraxasten-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060870 20-Ursen-12-ol; 12?-form C30H50O 426.386166 NA MeJP NA NA +MJ060871 20-Ursen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060872 21,29-Cyclo-3-friedelanol C30H50O 426.386166 NA MeJP NA NA +MJ060873 21-Shinonen-3-one C30H50O 426.386166 NA MeJP NA NA +MJ060874 22(29)-Hopen-20-ol; 20?-form C30H50O 426.386166 NA MeJP NA NA +MJ060875 22(29)-Hopen-28-ol C30H50O 426.386166 NA MeJP NA NA +MJ060876 22(29)-Hopen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060877 22(30)-Hopen-29-ol C30H50O 426.386166 NA MeJP NA NA +MJ060878 22,28-Epoxyhopan-29-ol, 29-Deoxy C30H50O 426.386166 NA MeJP NA NA +MJ060879 22-Methylene-29-norcycloartan-3?-ol C30H50O 426.386166 NA MeJP NA NA +MJ060880 23,26-Dimethylergosta-5,24(28)-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060881 23-Methylstigmasta-20(22),24(28)-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060882 24,24,27-Trimethylcholesta-5,25-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060883 24,26,26-Trimethylcholesta-7,25(27)-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060884 24-Ethyl-14-methylcholesta-9(11),25-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060885 24-Isopropenylcholest-7-en-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060886 24-Methyl-29-norcycloart-25-en-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060887 24-Propylidenecholest-5-en-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060888 25-Methylstigmasta-5,22-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060889 25-Methylstigmasta-5,24(28)-en-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060890 26,26-Dimethylergost-7-en-3-ol, 24,28-Didehydro C30H50O 426.386166 NA MeJP NA NA +MJ060891 26-Ethyl-26-methylcholesta-5,25(27)-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060892 26-Methylstigmasta-5,24(28)-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060893 26-Methylstigmasta-5,25-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060894 26-Methylstigmasta-7,25-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060895 27-Methylstigmasta-5,25-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060896 28-Methylstigmast-5-en-3-ol, 22,23-Didehydro (E-) C30H50O 426.386166 NA MeJP NA NA +MJ060897 28-Methylstigmast-5-en-3-ol, 22,23-Didehydro (Z-) C30H50O 426.386166 NA MeJP NA NA +MJ060898 28-Methylstigmast-5-en-3-ol, 24,28-Didehydro C30H50O 426.386166 NA MeJP NA NA +MJ060899 28-Methylstigmast-5-en-3-ol, 28,29-Didehydro (24R-) C30H50O 426.386166 NA MeJP NA NA +MJ060900 28-Methylstigmast-5-en-3-ol, 28,29-Didehydro (24S-) C30H50O 426.386166 NA MeJP NA NA +MJ060901 3,10-Epoxycucurbit-24-ene C30H50O 426.386166 NA MeJP NA NA +MJ060902 3,10-Epoxyglutinane C30H50O 426.386166 NA MeJP NA NA +MJ060903 3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-ol C30H50O 426.386166 NA MeJP NA NA +MJ060904 3-Filicanone C30H50O 426.386166 NA MeJP NA NA +MJ060905 3-Filicen-19-ol; 19?-form C30H50O 426.386166 NA MeJP NA NA +MJ060906 3-Filicen-25-ol C30H50O 426.386166 NA MeJP NA NA +MJ060907 3-Filicen-6-ol C30H50O 426.386166 NA MeJP NA NA +MJ060908 3-Friedelanol; 3?-form, 3-Ketone C30H50O 426.386166 NA MeJP NA NA +MJ060909 3-Friedelanol; 4?-form, 3-Ketone C30H50O 426.386166 NA MeJP NA NA +MJ060910 3-Friedelene; 3?,4?-Epoxide C30H50O 426.386166 NA MeJP NA NA +MJ060911 3-Oleananone C30H50O 426.386166 NA MeJP NA NA +MJ060912 3-Ursanone C30H50O 426.386166 NA MeJP NA NA +MJ060913 31-Norcycloswietenol C30H50O 426.386166 NA MeJP NA NA +MJ060914 4(23)-Filicen-3-ol; 3?-form C30H50O 426.386166 NA MeJP NA NA +MJ060915 4,14,24-Trimethylcholest-9(11)-en-3-ol, 3-Ketone C30H50O 426.386166 NA MeJP NA NA +MJ060916 4,14,24-Trimethylcholesta-8,25-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060917 4,14-Dimethyl-9,19-cycloergost-23-en-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060918 4,14-Dimethyl-9,19-cycloergost-24-en-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060919 4,14-Dimethyl-9,19-cycloergost-25-en-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060920 4,14-Dimethylergosta-7,22-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060921 4,14-Dimethylergosta-8,23-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060922 4,14-Dimethylergosta-8,24(28)-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060923 4,14-Dimethylergosta-8,24-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060924 4,14-Dimethylergosta-9(11),24(28)-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060925 4,23-Dimethylergosta-14,22-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060926 4,23-Dimethylergosta-5,22-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060927 4,23-Dimethylergosta-7,22-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060928 4,23-Dimethylergosta-8(14),22-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060929 4,24-Dimethylergosta-7,25-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060930 4,25-Dimethylergosta-7,24(28)-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060931 4,4-Dimethylergosta-8,24(28)-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060932 4-Methylstigmasta-7,24(28)-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060933 4-Methylstigmasta-7,25-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060934 4-Methylstigmasta-8(14),24(28)-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060935 4-Methylstigmasta-8,24(28)-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060936 5(10)-Adianen-3-ol; 3?-form C30H50O 426.386166 NA MeJP NA NA +MJ060937 5(10)-Glutinen-1-ol C30H50O 426.386166 NA MeJP NA NA +MJ060938 5-Adianen-25-ol C30H50O 426.386166 NA MeJP NA NA +MJ060939 5-Adianen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060940 5-Glutinen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060941 5-Taraxeren-3-ol; 3?-form C30H50O 426.386166 NA MeJP NA NA +MJ060942 6,7-Epoxysqualene C30H50O 426.386166 NA MeJP NA NA +MJ060943 7,13,17,21-Polypodatetraen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060944 7-Baueren-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060945 7-Fernen-19-ol; 19?-form C30H50O 426.386166 NA MeJP NA NA +MJ060946 7-Fernen-25-ol C30H50O 426.386166 NA MeJP NA NA +MJ060947 7-Fernen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060948 7-Friedelen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060949 7-Multifloren-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060950 8(26),13,17,21-Polypodatetraen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060951 8-Baueren-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060952 8-Fernen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060953 8-Multifloren-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060954 9(11)-Arborinen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060955 9(11)-Fernen-19-ol; 19?-form C30H50O 426.386166 NA MeJP NA NA +MJ060956 9(11)-Fernen-20-ol; 20?-form C30H50O 426.386166 NA MeJP NA NA +MJ060957 9(11)-Fernen-23-ol C30H50O 426.386166 NA MeJP NA NA +MJ060958 9(11)-Fernen-25-ol C30H50O 426.386166 NA MeJP NA NA +MJ060959 9(11)-Fernen-28-oic acid; 28-Alcohol C30H50O 426.386166 NA MeJP NA NA +MJ060960 9(11)-Fernen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060961 9(11)-Fernen-6-ol C30H50O 426.386166 NA MeJP NA NA +MJ060962 9(11)-Fernen-7-ol C30H50O 426.386166 NA MeJP NA NA +MJ060963 9(11)-Fernene; 21à H-form, 9?,11?-Epoxide C30H50O 426.386166 NA MeJP NA NA +MJ060964 9(11)-Fernene; 21à H-form, 9?,11?-Epoxide C30H50O 426.386166 NA MeJP NA NA +MJ060965 Acanthasterol C30H50O 426.386166 NA MeJP NA NA +MJ060966 Achilleol A C30H50O 426.386166 NA MeJP NA NA +MJ060967 Achilleol B C30H50O 426.386166 NA MeJP NA NA +MJ060968 Astertarone A C30H50O 426.386166 NA MeJP NA NA +MJ060969 Baccharis oxide C30H50O 426.386166 NA MeJP NA NA +MJ060970 Boehmerol C30H50O 426.386166 NA MeJP NA NA +MJ060971 Butyrospermol C30H50O 426.386166 NA MeJP NA NA +MJ060972 Carissol C30H50O 426.386166 NA MeJP NA NA +MJ060973 Clavisterol A C30H50O 426.386166 NA MeJP NA NA +MJ060974 Cucurbita-5,24-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060975 Cycloart-24-en-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060976 Cycloart-25-en-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060977 Cycloartanol; 3-Ketone C30H50O 426.386166 NA MeJP NA NA +MJ060978 Cycloeucalenol C30H50O 426.386166 NA MeJP NA NA +MJ060979 Cycloeuphordenol C30H50O 426.386166 NA MeJP NA NA +MJ060980 Cyclopeltenol C30H50O 426.386166 NA MeJP NA NA +MJ060981 Cycloroylenol C30H50O 426.386166 NA MeJP NA NA +MJ060982 Cymbopogonol C30H50O 426.386166 NA MeJP NA NA +MJ060983 D-Friedo-14-lupen-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060984 D-Friedomadeir-14-en-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060985 D:C-Friedomadeir-7-en-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060986 Dalbergia variabilis Triterpenoid 2 C30H50O 426.386166 NA MeJP NA NA +MJ060987 Dammara-12,24-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060988 Dammara-20,24-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060989 Echinoflorasterol C30H50O 426.386166 NA MeJP NA NA +MJ060990 Espinenoxide C30H50O 426.386166 NA MeJP NA NA +MJ060991 Euferol C30H50O 426.386166 NA MeJP NA NA +MJ060992 Eupha-8,24-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ060993 Gorgosterol C30H50O 426.386166 NA MeJP NA NA +MJ060994 Guimarenol C30H50O 426.386166 NA MeJP NA NA +MJ060995 Hancokinol C30H50O 426.386166 NA MeJP NA NA +MJ060996 Hancolupenol C30H50O 426.386166 NA MeJP NA NA +MJ060997 Isoursenol C30H50O 426.386166 NA MeJP NA NA +MJ060998 Ixerenol C30H50O 426.386166 NA MeJP NA NA +MJ060999 Lanosta-7,9(11)-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ061000 Lanosta-8,25-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ061001 Lanosta-9(11),24-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ061002 Lanosterol C30H50O 426.386166 NA MeJP NA NA +MJ061003 Leptadenol C30H50O 426.386166 NA MeJP NA NA +MJ061004 Melliferol C30H50O 426.386166 NA MeJP NA NA +MJ061005 Mutasterol C30H50O 426.386166 NA MeJP NA NA +MJ061006 Nematocyphol C30H50O 426.386166 NA MeJP NA NA +MJ061007 Nigrum-24-en-3-one C30H50O 426.386166 NA MeJP NA NA +MJ061008 Peplusol C30H50O 426.386166 NA MeJP NA NA +MJ061009 Phyllanthol C30H50O 426.386166 NA MeJP NA NA +MJ061010 Pichierenol C30H50O 426.386166 NA MeJP NA NA +MJ061011 Polyprenol; Betulaprenol 6 C30H50O 426.386166 NA MeJP NA NA +MJ061012 Presqualene alcohol C30H50O 426.386166 NA MeJP NA NA +MJ061013 Protosta-13(17),24-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ061014 Protosta-17(20),24-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ061015 Rhoiptelenol C30H50O 426.386166 NA MeJP NA NA +MJ061016 Swertanone; 3?-Alcohol C30H50O 426.386166 NA MeJP NA NA +MJ061017 Swertanone; 3?-Alcohol C30H50O 426.386166 NA MeJP NA NA +MJ061018 Theonellasterol C30H50O 426.386166 NA MeJP NA NA +MJ061019 Tirucalla-5,24-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ061020 Tirucalla-7,24-dien-16-ol; 16?-form C30H50O 426.386166 NA MeJP NA NA +MJ061021 Tirucalla-7,24-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ061022 Tirucalla-8,22-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ061023 Tirucalla-8,24-dien-3-ol C30H50O 426.386166 NA MeJP NA NA +MJ061024 Tylolupenol A C30H50O 426.386166 NA MeJP NA NA +MJ061025 Ulex europaeus Sterol C30H50O 426.386166 NA MeJP NA NA +MJ061026 Ulmoprenol C30H50O 426.386166 NA MeJP NA NA +MJ061027 Verongulasterol C30H50O 426.386166 NA MeJP NA NA +MJ061028 Walsurenol C30H50O 426.386166 NA MeJP NA NA +MJ061029 Xestosterol C30H50O 426.386166 NA MeJP NA NA +MetaCyc03504 obtusifoliol [4α,14α-dimethyl-5α-ergosta-8,24(28)-dien-3β-ol;4α,14α-dimethyl-24-methylene-5α-cholesta-8-en-3β-ol;] C30H50O1 426.386166 NA metacyc NA NA +MetaCyc03505 lanosterol [4,4,14α-trimethyl-5α-cholesta-8,24-dien-3β-ol;] C30H50O1 426.386166 79-63-0 metacyc NA NA +MetaCyc03506 cycloeucalenol [] C30H50O1 426.386166 469-39-6 metacyc NA NA +MetaCyc03507 cycloartenol [9β,19-cyclo-24-lanosten-3β-ol;] C30H50O1 426.386166 469-38-5 metacyc NA NA +MetaCyc03508 germanicol [] C30H50O1 426.386166 NA metacyc NA NA +MetaCyc03509 (S)-2,3-Epoxysqualene [Squalene 2,3-epoxide;Squalene 2,3-oxide;(S)-Squalene-2,3-epoxide;2,3-EDSQ;2,3-epoxisqualene;oxidosqualene;] C30H50O1 426.386166 9029-62-3 metacyc NA NA +MetaCyc03510 lupeol [lupenol;farganasterol;clerodol;monogynol B;] C30H50O1 426.386166 NA metacyc NA NA +MetaCyc03511 Ψ-taraxasterol [] C30H50O1 426.386166 NA metacyc NA NA +MetaCyc03512 taraxasterol [] C30H50O1 426.386166 NA metacyc NA NA +MetaCyc03513 β-amyrin [β-amyrenol;] C30H50O1 426.386166 NA metacyc NA NA +MetaCyc03514 24-ethylidenelophenol [(Z)-24-ethylidenelophenol;citrostadienol;] C30H50O1 426.386166 NA metacyc NA NA +HMDB01188 (S)-2,3-Epoxysqualene C30H50O 426.386169 NA HMDB2010 NA NA +HMDB01251 Lanosterin C30H50O 426.386169 NA HMDB2010 NA NA +HMDB01188 (S)-2,3-Epoxysqualene C30H50O 426.38617 http://www.hmdb.ca/metabolites/HMDB01188 HMDB NA NA +HMDB01251 Lanosterin C30H50O 426.38617 http://www.hmdb.ca/metabolites/HMDB01251 HMDB NA NA +HMDB01188 (S)-2,3-Epoxysqualene C30H50O 426.38617 HMDB01188 PFEM_hmdb_metabocards_official NA NA +HMDB01251 Lanosterin C30H50O 426.38617 HMDB01251 PFEM_hmdb_metabocards_official NA NA +C01054 (S)-2,3-Epoxysqualene C30H50O 426.3862 NA KEGG NA NA +C01724 Lanosterol C30H50O 426.3862 NA KEGG NA NA +C01902 Cycloartenol C30H50O 426.3862 NA KEGG NA NA +C01943 Obtusifoliol C30H50O 426.3862 NA KEGG NA NA +C02141 Cycloeucalenol C30H50O 426.3862 NA KEGG NA NA +C02142 D-Ribosyl-base C5H9O4R 426.3862 NA KEGG NA NA +C02143 D-threo-Aldose C5H9O5R 426.3862 NA KEGG NA NA +C02144 Dehydropeptide C5H6N2O3R2 426.3862 NA KEGG NA NA +C02146 Dialkyl ketone COR2 426.3862 NA KEGG NA NA +C08615 alpha-Amyrin C30H50O 426.3862 NA KEGG NA NA +C08616 beta-Amyrin C30H50O 426.3862 NA KEGG NA NA +C08624 Euphol C30H50O 426.3862 NA KEGG NA NA +C08626 Friedelin C30H50O 426.3862 NA KEGG NA NA +C08628 Lupeol C30H50O 426.3862 NA KEGG NA NA +C08636 Taraxasterol C30H50O 426.3862 NA KEGG NA NA +C08637 Taraxerol C30H50O 426.3862 NA KEGG NA NA +C11523 24-Ethylidene lophenol C30H50O 426.3862 NA KEGG NA NA +C11524 Diphospho-myo-inositol polyphosphate C30H50O 426.3862 NA KEGG NA NA +C11525 myo-Inositol polyphosphate C30H50O 426.3862 NA KEGG NA NA +C16958 Fernenol C30H50O 426.3862 NA KEGG NA NA +C16973 Isoarborinol C30H50O 426.3862 NA KEGG NA NA +C17966 Shionon C30H50O 426.3862 NA KEGG NA NA +MJ061030 3-(17-Tetracosenyloxy)-1,2-propanediol C27H54O3 426.407295 NA MeJP NA NA +MJ061031 7-Hydroxydodecanoic acid, Pentadecyl ester C27H54O3 426.407295 NA MeJP NA NA +MJ061032 29-Methylhopane C31H54 426.422551 NA MeJP NA NA +MJ061033 1,28-Octacosanediol C28H58O2 426.443681 NA MeJP NA NA +MJ061034 1,9-Octacosanediol C28H58O2 426.443681 NA MeJP NA NA +MJ061035 5,10-Octacosanediol C28H58O2 426.443681 NA MeJP NA NA +MJ061036 6,8-Octacosanediol C28H58O2 426.443681 NA MeJP NA NA +MJ061037 7,9-Octacosanediol C28H58O2 426.443681 NA MeJP NA NA +3617 NA HIGPGRAF 426.721 MH2+ Inhouse_peptide NA peptide +7515 ACE inhibitor from myosin light chain VKKVLGNP 426.76195 MH2+ Inhouse_peptide NA peptide +MJ061038 Oxiconazole C18H13Cl4N3O 426.981272 NA MeJP NA NA +C08074 Oxiconazole C18H13Cl4N3O 426.9813 NA KEGG NA NA +HMDB01003 Adenosine phosphosulfate C10H14N5O10PS 427.019897 NA HMDB2010 NA NA +MJ061039 Adenylylsulfate C10H14N5O10PS 427.019898 NA MeJP NA NA +MetaCyc03515 APS [Adenosine 5'-phosphosulfate;adenylyl-sulfate;adenosine phosphosulfate;adenosine 5'-sulphatophosphate;] C10H14N5O10P1S1 427.019899 485-84-7 metacyc NA NA +HMDB01003 Adenosine phosphosulfate C10H14N5O10PS 427.0199 http://www.hmdb.ca/metabolites/HMDB01003 HMDB NA NA +C00224 Adenylyl sulfate C10H14N5O10PS 427.0199 NA KEGG NA NA +HMDB01003 Adenosine phosphosulfate C10H14N5O10PS 427.0199 HMDB01003 PFEM_hmdb_metabocards_official NA NA +MJ061040 Eudistomin C; N-Methoxycarbonyl C16H18BrN3O4S 427.020139 NA MeJP NA NA +C00008 ADP C10H15N5O10P2 427.0294 NA KEGG NA NA +C00054 Adenosine 3',5'-bisphosphate C10H15N5O10P2 427.0294 NA KEGG NA NA +C00361 dGDP C10H15N5O10P2 427.0294 NA KEGG NA NA +C03850 Adenosine 2',5'-bisphosphate C10H15N5O10P2 427.0294 NA KEGG NA NA +MJ061041 Adenosine 3',5'-bisphosphate C10H15N5O10P2 427.029414 NA MeJP NA NA +MJ061042 ADP C10H15N5O10P2 427.029414 NA MeJP NA NA +MJ061043 dGDP C10H15N5O10P2 427.029414 NA MeJP NA NA +MJ061044 Adenosine 2',5'-diphosphate C10H15N5O10P2 427.029414 NA MeJP NA NA +MJ061045 Adenosine 3',5'-diphosphate C10H15N5O10P2 427.029414 NA MeJP NA NA +MJ061046 Adenosine diphosphate C10H15N5O10P2 427.029414 NA MeJP NA NA +MetaCyc03516 adenosine-3',5'-bisphosphate [PAP;phosphoadenosine phosphate;adenosine 3',5'-bisphosphate;] C10H15N5O10P2 427.029415 1053-73-2 metacyc NA NA +MetaCyc03517 3',5'-ADP [] C10H15N5O10P2 427.029415 NA metacyc NA NA +MetaCyc03518 ADP group [] C10H15N5O10P2 427.029415 NA metacyc NA NA +MetaCyc03519 ADP [adenosine pyrophosphate;adenosine 5'-pyrophosphate;adenosine-5'-diphosphate;adenosine-diphosphate;adenosine-5-diphosphate;] C10H15N5O10P2 427.029415 58-64-0 metacyc NA NA +MetaCyc03520 dGDP [2'-deoxyguanosine-5'-diphosphate;deoxyguanosine-diphosphate;] C10H15N5O10P2 427.029415 102783-74-4 metacyc NA NA +HMDB00061 Adenosine 3',5'-diphosphate C10H15N5O10P2 427.029419 NA HMDB2010 NA NA +HMDB00960 dGDP C10H15N5O10P2 427.029419 NA HMDB2010 NA NA +HMDB01341 ADP C10H15N5O10P2 427.029419 NA HMDB2010 NA NA +HMDB01341 ADP C10H15N5O10P2 427.02942 http://www.hmdb.ca/metabolites/HMDB01341 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00061 Adenosine 3',5'-diphosphate C10H15N5O10P2 427.02942 http://www.hmdb.ca/metabolites/HMDB00061 HMDB NA NA +HMDB00960 dGDP C10H15N5O10P2 427.02942 http://www.hmdb.ca/metabolites/HMDB00960 HMDB NA NA +HMDB01341 ADP C10H15N5O10P2 427.02942 http://www.hmdb.ca/metabolites/HMDB01341 HMDB NA NA +HMDB01341 ADP C10H15N5O10P2 427.02942 http://www.hmdb.ca/metabolites/HMDB01341 PFEM_hmdb_metabocards_blood NA blood +HMDB00061 Adenosine 3',5'-diphosphate C10H15N5O10P2 427.02942 HMDB00061 PFEM_hmdb_metabocards_official NA NA +HMDB00960 dGDP C10H15N5O10P2 427.02942 HMDB00960 PFEM_hmdb_metabocards_official NA NA +HMDB01341 ADP C10H15N5O10P2 427.02942 HMDB01341 PFEM_hmdb_metabocards_official NA NA +EUR263 Nicotinamide adenine di nucleotide F3 F3 427.033375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR263 Nicotinamide adenine di nucleotide F3 NA 427.033375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR263 Nicotinamide adenine di nucleotide F3 F3 427.033375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR263 Nicotinamide adenine di nucleotide F3 NA 427.033375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR263 Nicotinamide adenine di nucleotide F3 F3 427.033375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR263 Nicotinamide adenine di nucleotide F3 NA 427.033375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR263 Nicotinamide adenine di nucleotide F3 F3 427.033375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR263 Nicotinamide adénine di nucléotide F3 F3 427.033375 standards wishlist analysés sur QTOF HMDB NA NA +EUR263 Nicotinamide adenine di nucleotide F3 F3 427.033375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR263 Nicotinamide adenine di nucleotide F3 NA 427.033375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR263 Nicotinamide adenine di nucleotide F3 F3 427.033375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR263 Nicotinamide adenine di nucleotide F3 F3 427.033375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ061047 Cefoxitin C16H17N3O7S2 427.050791 NA MeJP NA NA +C06887 Cefoxitin C16H17N3O7S2 427.0508 NA KEGG NA NA +C08114 Cefpodoxime C15H17N5O6S2 427.062 NA KEGG NA NA +MJ061048 Cefdaloxime; Me ether C15H17N5O6S2 427.062024 NA MeJP NA NA +MJ061049 Oxitefonium(1+), Bromide C19H26BrNO3S 427.081677 NA MeJP NA NA +MJ061050 Salazosulfadimidine C19H17N5O5S 427.095039 NA MeJP NA NA +C13980 Hetacillin potassium C19H22N3O4S 427.0968 NA KEGG NA NA +C13981 Transferred to D02204 C19H22N3O4S 427.0968 NA KEGG NA NA +C13982 Transferred to D02205 C19H22N3O4S 427.0968 NA KEGG NA NA +C13983 Transferred to D02206 C19H22N3O4S 427.0968 NA KEGG NA NA +C13984 Transferred to D02207 C19H22N3O4S 427.0968 NA KEGG NA NA +C13985 Transferred to D02208 C19H22N3O4S 427.0968 NA KEGG NA NA +C13986 Transferred to D02209 C19H22N3O4S 427.0968 NA KEGG NA NA +C13987 Transferred to D02210 C19H22N3O4S 427.0968 NA KEGG NA NA +C13988 Transferred to D02211 C19H22N3O4S 427.0968 NA KEGG NA NA +C13989 Transferred to D02212 C19H22N3O4S 427.0968 NA KEGG NA NA +C13990 Transferred to D02213 C19H22N3O4S 427.0968 NA KEGG NA NA +C13991 Transferred to D02214 C19H22N3O4S 427.0968 NA KEGG NA NA +MJ061051 4-Hydroxy-2-(hydroxymethyl)-2-butenoic acid, 5-O-(3,4,5-Trihydroxybenzoyl), 4-O-?-D-glucopyranoside, nitrile C18H21NO11 427.11146 NA MeJP NA NA +MJ061052 Pteroylaspartic acid C18H17N7O6 427.124031 NA MeJP NA NA +PJ001269 DMY C18H25N3O7S 427.1413 NA PeJP NA NA +C01870 (R)-Vicianin C19H25NO10 427.1478 NA KEGG NA NA +C08335 Lucumin C19H25NO10 427.1478 NA KEGG NA NA +MJ061053 2-Hydroxy-2-phenylacetonitrile, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C19H25NO10 427.147846 NA MeJP NA NA +MJ061054 2-Hydroxy-2-phenylacetonitrile, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C19H25NO10 427.147846 NA MeJP NA NA +MJ061055 2-Hydroxy-2-phenylacetonitrile, O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C19H25NO10 427.147846 NA MeJP NA NA +MJ061056 2-Hydroxy-2-phenylacetonitrile, O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C19H25NO10 427.147846 NA MeJP NA NA +MJ061057 2-Hydroxy-2-phenylacetonitrile, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C19H25NO10 427.147846 NA MeJP NA NA +MetaCyc03521 R-vicianin [] C19H25N1O10 427.147846 155-57-7 metacyc NA NA +MJ061058 Pemetrexed C20H21N5O6 427.149183 NA MeJP NA NA +MJ061059 4-[3-[2-Amino-4-(4-fluorophenyl)-5-thiazolyl]-1-pyrrolidinyl]-1-(4-fluorophenyl)-1-butanone C23H23F2N3OS 427.152989 NA MeJP NA NA +MJ061060 Moracizine C22H25N3O4S 427.156576 NA MeJP NA NA +C07743 Moricizine C22H25N3O4S 427.1566 NA KEGG NA NA +C07744 Transferred to D00640 C22H25N3O4S 427.1566 NA KEGG NA NA +C07746 Transferred to D00642 C22H25N3O4S 427.1566 NA KEGG NA NA +C07747 Transferred to D00643 C22H25N3O4S 427.1566 NA KEGG NA NA +C07748 Transferred to D00644 C22H25N3O4S 427.1566 NA KEGG NA NA +C07749 Transferred to D00645 C22H25N3O4S 427.1566 NA KEGG NA NA +MJ061061 [1-[2-[(Methylsulfonyl)amino]ethyl]-4-piperidinyl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate C19H26FN3O5S 427.157719 NA MeJP NA NA +MJ061062 Vanoxonin C18H25N3O9 427.159079 NA MeJP NA NA +PJ001270 MMF C19H29N3O4S2 427.16 NA PeJP NA NA +MJ061063 Raddeanine, O8-Ac C23H25NO7 427.163102 NA MeJP NA NA +MJ061064 Mequinine C23H26NO7(+) 427.163102 NA MeJP NA NA +MJ061065 Narcotine, N-Me C23H26NO7(+) 427.163102 NA MeJP NA NA +MJ061066 Oxyphenonium(1+), Bromide C21H34BrNO3 427.172206 NA MeJP NA NA +PJ001271 DFF C22H25N3O6 427.1744 NA PeJP NA NA +MJ061067 Panomifene C25H24F3NO2 427.175913 NA MeJP NA NA +PJ001272 GSQH C16H25N7O7 427.1816 NA PeJP NA NA +MJ061068 Etolotifen C24H29NO4S 427.181729 NA MeJP NA NA +MJ061069 Pyridinoline C18H28N4O8(+) 427.182888 NA MeJP NA NA +8302 Soystatin VAWWMY 427.1832 MH2+ Inhouse_peptide NA peptide +8303 Soystatin VAWWMY 427.1832 MH2+ Inhouse_peptide NA peptide +MJ061070 Trospium(1+); Chloride C25H30ClNO3 427.191421 NA MeJP NA NA +MJ061071 Nuciferine, O2-De-Me, O-?-L-rhamnopyranoside C24H29NO6 427.199487 NA MeJP NA NA +MJ061072 Fluprofylline C22H26FN5O3 427.201967 NA MeJP NA NA +8128 peptide derived from sardine muscle LQPGQGQQ 427.205 MH2+ Inhouse_peptide NA peptide +PJ001273 SPPQ C18H29N5O7 427.2067 NA PeJP NA NA +MJ061073 Anthelvencin A C19H25N9O3 427.208035 NA MeJP NA NA +PJ001274 VFY C23H29N3O5 427.2107 NA PeJP NA NA +PJ001275 GSKH C17H29N7O6 427.218 NA PeJP NA NA +MJ061074 Lasiocarpine; N-Oxide C21H33NO8 427.220617 NA MeJP NA NA +MJ061075 N-[4-[[5-(Dimethylamino)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl]phenyl]-2-methylbenzamide C27H29N3O2 427.225977 NA MeJP NA NA +MJ061076 Dixyrazine C24H33N3O2S 427.229348 NA MeJP NA NA +3762 NA VGVPG 427.23 ACE inhibitor Inhouse_peptide NA peptide +MJ061077 Acidissiminol; 6',7'-Dihydroxy C25H33NO5 427.235873 NA MeJP NA NA +MJ061078 Antibiotic F 1839A; 2-Deoxy, 3-Ac C25H33NO5 427.235873 NA MeJP NA NA +MJ061079 Geyerine C25H33NO5 427.235873 NA MeJP NA NA +MJ061080 Memnobotrin A C25H33NO5 427.235873 NA MeJP NA NA +MJ061081 Serratinine, O8-(4-Methoxyphenylacetyl) C25H33NO5 427.235873 NA MeJP NA NA +MJ061082 Yuzurimine C C25H33NO5 427.235873 NA MeJP NA NA +MJ061083 Daphnezomine J C25H34NO5(+) 427.235873 NA MeJP NA NA +PJ001276 SPPK C19H33N5O6 427.2431 NA PeJP NA NA +MJ061084 Ranolazine C24H33N3O4 427.247106 NA MeJP NA NA +PJ001277 GPVR C18H33N7O5 427.2543 NA PeJP NA NA +PJ001278 PRR C17H33N9O4 427.2656 NA PeJP NA NA +3595 NA KAIP 427.267 ACE inhibitor Inhouse_peptide NA peptide +MJ061085 Topicaine C26H37NO4 427.272258 NA MeJP NA NA +MJ061086 Petrosaspongiolide L; N-(Carboxymethyl) C26H38NO4(+) 427.272258 NA MeJP NA NA +PJ001279 APLK C20H37N5O5 427.2795 NA PeJP NA NA +MJ061087 2-Amino-3,5-dihydroxy-2-(hydroxymethyl)-6,8-eicosadienoic acid, 5-Ac C23H41NO6 427.293388 NA MeJP NA NA +MJ061088 21-(3,4-Dihydro-3-methyl-2H-pyrrol-5-yl)-3-hydroxy-20-methylpregnane-6,21-dione C27H41NO3 427.308644 NA MeJP NA NA +MJ061089 Ascosalipyrrolidinone B; O-De-Me, O-butyl C27H41NO3 427.308644 NA MeJP NA NA +MJ061090 Cyclobuxophylline O; N-Ethoxycarbonyl C27H41NO3 427.308644 NA MeJP NA NA +MJ061091 Hupehenisine C27H41NO3 427.308644 NA MeJP NA NA +MJ061092 Imperialine; 3-Ketone C27H41NO3 427.308644 NA MeJP NA NA +MJ061093 Jervine; 11?-Alcohol C27H41NO3 427.308644 NA MeJP NA NA +MJ061094 Korsevinine C27H41NO3 427.308644 NA MeJP NA NA +MJ061095 Peimisine C27H41NO3 427.308644 NA MeJP NA NA +MJ061096 Petisine C27H41NO3 427.308644 NA MeJP NA NA +MJ061097 Solamaladine C27H41NO3 427.308644 NA MeJP NA NA +MJ061098 Solaspiralidine C27H41NO3 427.308644 NA MeJP NA NA +MJ061099 15-Azasterol; 16?-Hydroxy C28H45NO2 427.345029 NA MeJP NA NA +MJ061100 Korsevine C28H45NO2 427.345029 NA MeJP NA NA +MJ061101 Mycalazoles; Mycalazole 3, 11',12'-Dihydro C28H45NO2 427.345029 NA MeJP NA NA +HMDB12170 4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol C29H47O2 427.357605 NA HMDB2010 NA NA +HMDB00848 Stearoylcarnitine C25H49NO4 427.36615 http://www.hmdb.ca/metabolites/HMDB00848 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00848 Stearoylcarnitine C25H49NO4 427.36615 http://www.hmdb.ca/metabolites/HMDB00848 HMDB NA NA +HMDB00848 Stearoylcarnitine C25H49NO4 427.36615 NA ;SYN:a-Pyridinecarboxylic acid; 2-Carboxypyridine; 2-methoxy-5-aminopyridine; 2-Picolinic acid; 2-Pyridinecarboxylic acid; 5-amino-2-Pyridinecarboxylic acid; 4,5-Dehydropipecolic acid; 5-Amino-2-fluoropyridine; 5-Amino-2-methoxypyridine; 5-Aminopicolinic acid; 5-Aminopyridine-2-carboxylic acid; 6-Methoxy-pyridin-3-ylamine; acide picolique; L-Baikiain; PLA; Phenyl-(2-pyridyl)acetonitrile; Pyridine-2-carboxylic acid; Pyridine-carboxylique-2; Pyridinecarboxylic acid-(2); o-Pyridinecarboxylic acid; Picolinate; alpha-Pyridinecarboxylic acid; alpha-Picolinic acidH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00848 Stearoylcarnitine C25H49NO4 427.36615 http://www.hmdb.ca/metabolites/HMDB00848 PFEM_hmdb_metabocards_blood NA blood +HMDB00848 Stearoylcarnitine C25H49NO4 427.36615 HMDB00848 PFEM_hmdb_metabocards_official NA NA +HMDB00848 Stearoylcarnitine C25H49NO4 427.36615 NA HMDB2010 NA NA +MJ061102 N-(1-Hydroxymethyl-2-methoxyethyl)-7-methoxy-4-eicosenamide C25H49NO4 427.366159 NA MeJP NA NA +8275 Antioxidative peptide PMDYMVT 427.66885 MH2+ Inhouse_peptide NA peptide +8276 Anticancer peptide PMDYMVT 427.66885 MH2+ Inhouse_peptide NA peptide +8121 peptide derived from blue fermented mussel sauce (Mytilus edulis) HFGDPFH 427.67595 MH2+ Inhouse_peptide NA peptide +MJ061103 1,1,3,3-Tetrabromo-2-heptanol C7H12Br4O 427.762165 NA MeJP NA NA +MJ061104 8-Bromo-2-(bromochloromethyl)-1,5,6-trichloro-6-methyl-1,3,7-octatriene C10H10Br2Cl4 427.790336 NA MeJP NA NA +MJ061105 2,10-Dibromo-3-chloro-7,8-epoxy-9-chamigranol C15H23Br2ClO2 427.975332 NA MeJP NA NA +MJ061106 3,10-Dibromo-2-chloro-7(14)-chamigren-9-ol; 7S,14-Epoxide C15H23Br2ClO2 427.975332 NA MeJP NA NA +MJ061107 4,10-Dibromo-3-chloro-7,8-epoxy-1-chamigranol C15H23Br2ClO2 427.975332 NA MeJP NA NA +MJ061108 Laucapyranoid B C15H23Br2ClO2 427.975332 NA MeJP NA NA +MJ061109 Nidulin; O-De-Me C19H15Cl3O5 427.998506 NA MeJP NA NA +MJ061110 16,18-Dibromo-15,17-octadecadiene-5,7-diynoic acid C18H22Br2O2 427.998655 NA MeJP NA NA +MJ061111 18,18-Dibromo-9,17-octadecadiene-5,7-diynoic acid C18H22Br2O2 427.998655 NA MeJP NA NA +C14021 Ticarcillin disodium C15H14N2O6S2 428.0089 NA KEGG NA NA +C14022 Transferred to D02242 C15H14N2O6S2 428.0089 NA KEGG NA NA +C14023 Transferred to D02243 C15H14N2O6S2 428.0089 NA KEGG NA NA +C14024 Transferred to D00388 C15H14N2O6S2 428.0089 NA KEGG NA NA +C14026 Transferred to D02245 C15H14N2O6S2 428.0089 NA KEGG NA NA +C14027 Transferred to D02246 C15H14N2O6S2 428.0089 NA KEGG NA NA +C14028 Transferred to D02247 C15H14N2O6S2 428.0089 NA KEGG NA NA +C00104 IDP C10H14N4O11P2 428.0134 NA KEGG NA NA +C01347 dXDP C10H14N4O11P2 428.0134 NA KEGG NA NA +HMDB03335 IDP C10H14N4O11P2 428.013428 NA HMDB2010 NA NA +HMDB03335 IDP C10H14N4O11P2 428.01343 http://www.hmdb.ca/metabolites/HMDB03335 HMDB NA NA +MJ061112 IDP C10H14N4O11P2 428.01343 NA MeJP NA NA +MetaCyc03522 IDP [riboxin;inosine diphosphate;] C10H14N4O11P2 428.01343 86-04-4 metacyc NA NA +HMDB03335 IDP C10H14N4O11P2 428.01343 HMDB03335 PFEM_hmdb_metabocards_official NA NA +MJ061113 Melarsomine C13H21AsN8S2 428.054655 NA MeJP NA NA +MJ061114 Bromosphaerene B C20H30Br2 428.071426 NA MeJP NA NA +MJ061115 4-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-2-naphthalenecarboxylic acid; (1,2-Dicarboxyethyl) ester C21H16O10 428.074346 NA MeJP NA NA +MJ061116 Theaflavic acid C21H16O10 428.074346 NA MeJP NA NA +MJ061117 5-(Methylsulfonylmethyl)altersolanol A C18H20O10S 428.077717 NA MeJP NA NA +MJ061118 Diethylstilbestrol, Diphosphate C18H22O8P2 428.07899 NA MeJP NA NA +C08145 Diethylstilbestrol diphosphate C18H22O8P2 428.079 NA KEGG NA NA +PJ001280 TCCC C13H24N4O6S3 428.0858 NA PeJP NA NA +MJ061119 7-Amino-2,8-bis(2,4-dihydroxyphenyl)-3H-phenoxazin-3-one C24H16N2O6 428.100836 NA MeJP NA NA +C12425 epsilon-Rhodomycinone C22H20O9 428.1107 NA KEGG NA NA +FL5FFANS0025 Tambulin 3,5-diacetata;3,5-Diacetyltambulin;3,5-Bis(acetyloxy)-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C22H20O9 428.11073 58264-77-0 knapsack NA NA +FL63ACNS0024 Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate) C22H20O9 428.11073 99257-76-8 knapsack NA NA +MJ061120 3,3',4',5,7-Pentahydroxyflavan, 3-O-(1-Hydroxy-6-oxo-2-cyclohexene-1-carboxylate) C22H20O9 428.110732 NA MeJP NA NA +MJ061121 3,4',5,7,8-Pentahydroxyflavone; 4',7,8-Tri-Me ether, di-Ac C22H20O9 428.110732 NA MeJP NA NA +MJ061122 Aklavinone, 9-Hydroxy C22H20O9 428.110732 NA MeJP NA NA +MJ061123 Enterocin; 6-Epimer, 8-deoxy C22H20O9 428.110732 NA MeJP NA NA +MJ061124 Halawanone B C22H20O9 428.110732 NA MeJP NA NA +MJ061125 Spiroximicin C22H20O9 428.110732 NA MeJP NA NA +MJ061126 ?-Rhodomycinone C22H20O9 428.110732 NA MeJP NA NA +MJ061127 ?-Pyrromycinone C22H20O9 428.110732 NA MeJP NA NA +MJ061128 ?-Rhodomycinone C22H20O9 428.110732 NA MeJP NA NA +PJ001281 GCCF C17H24N4O5S2 428.1188 NA PeJP NA NA +MJ061129 Mescengricin C21H20N2O8 428.121965 NA MeJP NA NA +MJ061130 2-[3,4-Dihydro-4-hydroxy-3-(phenylmethyl)-2H-1-benzopyran-7-yl]-4-(trifluoromethyl)benzoic acid C24H19F3O4 428.123543 NA MeJP NA NA +MJ061131 14-Chloro-3,4-epoxy-2,5,8,10-tetrahydroxy-11(13)-guaien-12,6-olide, 8-Angeloyl C20H25ClO8 428.123795 NA MeJP NA NA +C09425 Eupachloroxin C20H25ClO8 428.1238 NA KEGG NA NA +MJ061132 4,6,7-Trihydroxy-5-benzofuranpropanoic acid; 4,7-Di-Me ether, 6-O-?-D-glucopyranoside C19H24O11 428.131861 NA MeJP NA NA +PJ001282 GSCY C17H24N4O7S 428.1366 NA PeJP NA NA +C11743 SB 243213 C22H19F3N4O2 428.146 NA KEGG NA NA +MJ061133 2,3-Dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)-1H-indole-1-carboxamide C22H19F3N4O2 428.14601 NA MeJP NA NA +C10730 beta-Peltatin A methyl ether C23H24O8 428.1471 NA KEGG NA NA +C15181 Wortmannin C23H24O8 428.1471 NA KEGG NA NA +FL5FECNI0001 5,4'-Dihydroxy-3,6,3'-trimethoxy-7-prenyloxyflavone C23H24O8 428.14711 160036-27-1 knapsack NA NA +FL5FFCNI0002 5,4'-Dihydroxy-3,8,3'-trimethoxy-7-prenyloxyflavone C23H24O8 428.14711 160036-26-0 knapsack NA NA +FL5FFCNI0005 5,7-Dihydroxy-3,8,3'-trimethoxy-4'-prenyloxyflavone C23H24O8 428.14711 160036-31-7 knapsack NA NA +FLIF1LNF0009 Amorphigenol C23H24O8 428.14711 29360-12-1 knapsack NA NA +FLIFHXNF0010 12-Dihydrodalbinol C23H24O8 428.14711 97673-80-8 knapsack NA NA +MJ061134 4',5,7-Trihydroxy-3,3',6-trimethoxyflavone; 7-O-(3-Methyl-2-butenyl) C23H24O8 428.147117 NA MeJP NA NA +MJ061135 4',5,7-Trihydroxy-3,3',8-trimethoxyflavone; 4'-O-(3-Methyl-2-butenyl) C23H24O8 428.147117 NA MeJP NA NA +MJ061136 4',5,7-Trihydroxy-3,3',8-trimethoxyflavone; 7-O-(3-Methyl-2-butenyl) C23H24O8 428.147117 NA MeJP NA NA +MJ061137 ?-Peltatin; Di-Me ether C23H24O8 428.147117 NA MeJP NA NA +MJ061138 Amorphigenin; 1',3'-Dihydro, 1'-hydroxy C23H24O8 428.147117 NA MeJP NA NA +MJ061139 Barbigerone; 3'',4''-Dihydro, 3'',4''-dihydroxy C23H24O8 428.147117 NA MeJP NA NA +MJ061140 Conloxodin C23H24O8 428.147117 NA MeJP NA NA +MJ061141 Dalbinol; 1',3'-Dihydro, 1'-hydroxy, 2'-deoxy C23H24O8 428.147117 NA MeJP NA NA +MJ061142 Dalbinol; 6?-Alcohol C23H24O8 428.147117 NA MeJP NA NA +MJ061143 Eupomatilone 4; 3,6-Didehydro C23H24O8 428.147117 NA MeJP NA NA +MJ061144 Guayadequiol; Ac C23H24O8 428.147117 NA MeJP NA NA +MJ061145 Hernandin C23H24O8 428.147117 NA MeJP NA NA +MJ061146 Loxodellonic acid C23H24O8 428.147117 NA MeJP NA NA +MJ061147 Sublobaric acid C23H24O8 428.147117 NA MeJP NA NA +MJ061148 Wortmannin C23H24O8 428.147117 NA MeJP NA NA +MJ061149 ?-Peltatin; 8'-Epimer, Di-Me ether C23H24O8 428.147117 NA MeJP NA NA +MJ061150 ?-Peltatin; Di-Me ether C23H24O8 428.147117 NA MeJP NA NA +MJ061151 ?-D-Xylopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-L-arabinose C16H28O13 428.15299 NA MeJP NA NA +MJ061152 9-Deazaadenosine; 5'-O-?-D-Glucopyranoside C17H24N4O9 428.154328 NA MeJP NA NA +MJ061153 Tubercidin; 5'-O-?-D-Glucopyranosyl C17H24N4O9 428.154328 NA MeJP NA NA +MJ061154 Ulobetasol C22H27ClF2O4 428.156593 NA MeJP NA NA +MJ061155 Anhydrotetracycline C22H24N2O7 428.158351 NA MeJP NA NA +MJ061156 6-Deoxytetracycline C22H24N2O7 428.158351 NA MeJP NA NA +MJ061157 8-(1-Hydroxypropyl)-2-(2-penten-4-ynyl)-3,5,6-oxocanetriol; 5-Deoxy, 5-chloro, tri-Ac C21H29ClO7 428.16018 NA MeJP NA NA +MJ061158 Haterumalide NE C21H29ClO7 428.16018 NA MeJP NA NA +MJ061159 Pterosin K, 12-O-?-D-Glucopyranoside C21H29ClO7 428.16018 NA MeJP NA NA +MJ061160 Vismiaguianone D C27H24O5 428.162373 NA MeJP NA NA +MJ061161 Vismiaguianone E C27H24O5 428.162373 NA MeJP NA NA +PJ001283 GSEH C16H24N6O8 428.1656 NA PeJP NA NA +C10458 Furcatin C20H28O10 428.1682 NA KEGG NA NA +MJ061162 2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-benzofuranpropanoic acid; 4-O-?-D-Glucopyranoside C20H28O10 428.168247 NA MeJP NA NA +MJ061163 3-Phenyl-2-propen-1-ol, O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C20H28O10 428.168247 NA MeJP NA NA +MJ061164 3-Phenyl-2-propen-1-ol, O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C20H28O10 428.168247 NA MeJP NA NA +MJ061165 4-(2-Propenyl)phenol; O-[?-D-Xylopyranosyl(1?6)-?-D-glucopyranoside] C20H28O10 428.168247 NA MeJP NA NA +MJ061166 4-(2-Propenyl)phenol; O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C20H28O10 428.168247 NA MeJP NA NA +MJ061167 4-Vinylphenol; O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C20H28O10 428.168247 NA MeJP NA NA +MJ061168 4-Vinylphenol; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C20H28O10 428.168247 NA MeJP NA NA +MJ061169 Brucein E; 18-Hydroxy C20H28O10 428.168247 NA MeJP NA NA +MJ061170 Picrodendrin F C20H28O10 428.168247 NA MeJP NA NA +MJ061171 Pterosin T; 15-Hydroxy, 4-O-?-D-glucopyranoside C20H28O10 428.168247 NA MeJP NA NA +MJ061172 Setulosopterosin; 4-O-?-D-Glucopyranoside C20H28O10 428.168247 NA MeJP NA NA +MJ061173 Baker's antifol I C21H25ClN6O2 428.172751 NA MeJP NA NA +MJ061174 Asterriquinol D; Di-Me ether C26H24N2O4 428.173607 NA MeJP NA NA +MJ061175 N-?-Alanyldopamine; N-Ac, 3-O-?-D-glucopyranoside C19H28N2O9 428.17948 NA MeJP NA NA +PJ001284 SHW C20H24N6O5 428.1808 NA PeJP NA NA +MJ061176 Cormetasone C22H27F3O5 428.181058 NA MeJP NA NA +C08951 psi-Rhodomyrtoxin C24H28O7 428.1835 NA KEGG NA NA +FL2FALNI0018 Heteroflavanone B C24H28O7 428.1835 151171-29-8 knapsack NA NA +MJ061177 1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; 2'',3''-Dihydro, 3''-hydroxy, O7-Me C24H28O7 428.183503 NA MeJP NA NA +MJ061178 1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; 2',3'-Dihydro, 3'-hydroxy, O7-Me C24H28O7 428.183503 NA MeJP NA NA +MJ061179 1-Isomangostin; 2',3'-Dihydro, 3'-hydroxy C24H28O7 428.183503 NA MeJP NA NA +MJ061180 2',4',5,6',7-Pentahydroxy-8-prenylflavanone, 2',4',6',7-Tetra-Me ether C24H28O7 428.183503 NA MeJP NA NA +MJ061181 3',4',5,5',7-Pentahydroxy-6-prenylflavanone; 3',4',5',7-Tetra-Me ether C24H28O7 428.183503 NA MeJP NA NA +MJ061182 3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, (8-(3,4-Dimethoxybenzoyl) C24H28O7 428.183503 NA MeJP NA NA +MJ061183 4,5,9,10-Tetrahydro-1,6-dimethyl-2,7-pyrenediol; O-?-D-Glucopyranoside C24H28O7 428.183503 NA MeJP NA NA +MJ061184 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 6-Angeloyl, 9-(2-methylpropenoyl) C24H28O7 428.183503 NA MeJP NA NA +MJ061185 Calabaxanthone; 2',3,3',4-Tetrahydro, 3',9-dihydroxy C24H28O7 428.183503 NA MeJP NA NA +MJ061186 Colensoic acid; O-De-Me C24H28O7 428.183503 NA MeJP NA NA +MJ061187 Decursidinol, 3'-Angeloyl, 4'-(3-methylbutanoyl) C24H28O7 428.183503 NA MeJP NA NA +MJ061188 Khellactone, 10-Angeloyl, 9-O-(3-methylbutanoyl) C24H28O7 428.183503 NA MeJP NA NA +MJ061189 Khellactone, 9-Angeloyl, 10-O-(2-methylbutanoyl) C24H28O7 428.183503 NA MeJP NA NA +MJ061190 Khellactone, 9-O-Angeloyl, 10-O-(3-methylbutanoyl) C24H28O7 428.183503 NA MeJP NA NA +MJ061191 Khellactone, O-Angeloyl, O-(3-methylbutanoyl) C24H28O7 428.183503 NA MeJP NA NA +MJ061192 Khellactone, 9-Angeloyl, 10-O-(3-methylbutanoyl) C24H28O7 428.183503 NA MeJP NA NA +MJ061193 Khellactone, 9-O-(3-Methyl-2-butenoyl), 10-O-(3-methylbutanoyl) C24H28O7 428.183503 NA MeJP NA NA +MJ061194 Mon A C24H28O7 428.183503 NA MeJP NA NA +MJ061195 Paraherquonin C24H28O7 428.183503 NA MeJP NA NA +MJ061196 Pseudorhodomyrtoxin C24H28O7 428.183503 NA MeJP NA NA +MJ061197 Rhodomyrtoxin C24H28O7 428.183503 NA MeJP NA NA +MJ061198 Vaginidiol; 1''-O-(3-Methylbutanoyl), 3'-O-angeloyl C24H28O7 428.183503 NA MeJP NA NA +MJ061199 Vaginidiol; 1''-O-Angeloyl, 3'-O-(2-methylbutanoyl) C24H28O7 428.183503 NA MeJP NA NA +PJ001285 AAMH C17H28N6O5S 428.1842 NA PeJP NA NA +MJ061200 2,4-Pentanediol, 2-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C17H32O12 428.189376 NA MeJP NA NA +EUR037 pyridinoline C18H28N4O8 428.1907 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00851 Pyridinoline C18H28N4O8 428.1907 http://www.hmdb.ca/metabolites/HMDB00851 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR037 pyridinoline C18H28N4O8 428.1907 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR037 pyridinoline C18H28N4O8 428.1907 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00851 Pyridinoline C18H28N4O8 428.1907 http://www.hmdb.ca/metabolites/HMDB00851 HMDB NA NA +EUR037 pyridinoline C18H28N4O8 428.1907 Wishlist Inhousejuil11 NA NA +PJ001286 SPPE C18H28N4O8 428.1907 NA PeJP NA NA +HMDB00851 Pyridinoline C18H28N4O8 428.1907 http://www.hmdb.ca/metabolites/HMDB00851 PFEM_hmdb_metabocards_blood NA blood +HMDB00851 Pyridinoline C18H28N4O8 428.1907 HMDB00851 PFEM_hmdb_metabocards_official NA NA +HMDB00851 Pyridinoline C18H28N4O8 428.1907 NA ;SYN:a-Pyridinecarboxylic acid; 2-Carboxypyridine; 2-methoxy-5-aminopyridine; 2-Picolinic acid; 2-Pyridinecarboxylic acid; 5-amino-2-Pyridinecarboxylic acid; 4,5-Dehydropipecolic acid; 5-Amino-2-fluoropyridine; 5-Amino-2-methoxypyridine; 5-Aminopicolinic acid; 5-Aminopyridine-2-carboxylic acid; 6-Methoxy-pyridin-3-ylamine; acide picolique; L-Baikiain; PLA; Phenyl-(2-pyridyl)acetonitrile; Pyridine-2-carboxylic acid; Pyridine-carboxylique-2; Pyridinecarboxylic acid-(2); o-Pyridinecarboxylic acid; Picolinate; alpha-Pyridinecarboxylic acid; alpha-Picolinic acidH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00851 Pyridinoline C18H28N4O8 428.190704 NA HMDB2010 NA NA +EUR037 Pyridinoline C18H28N4O8 428.190716 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR037 Pyridinoline C18H28N4O8 428.190716 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR037 Pyridinoline C18H28N4O8 428.190716 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR037 Pyridinoline C18H28N4O8 428.190716 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR037 Pyridinoline C18H28N4O8 428.190716 Wishlist HMDB NA NA +EUR037 Pyridinoline C18H28N4O8 428.190716 Wishlist Inhouse_PFEM NA NA +EUR037 Pyridinoline C18H28N4O8 428.190716 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR037 Pyridinoline C18H28N4O8 428.190716 Wishlist PFEM_hmdb_metabocards_official NA NA +C09106 Carapanaubine C23H28N2O6 428.1947 NA KEGG NA NA +MJ061201 Carapanaubine C23H28N2O6 428.194736 NA MeJP NA NA +MJ061202 Elegantissine C23H28N2O6 428.194736 NA MeJP NA NA +MJ061203 Gardneramine; N4-Oxide C23H28N2O6 428.194736 NA MeJP NA NA +MJ061204 Isoreserpiline pseudoindoxyl C23H28N2O6 428.194736 NA MeJP NA NA +MJ061205 Kopsiflorine; N4-Oxide C23H28N2O6 428.194736 NA MeJP NA NA +MJ061206 Majdine C23H28N2O6 428.194736 NA MeJP NA NA +MJ061207 Mitraphylline; 7-Epimer, 10,11-Dimethoxy C23H28N2O6 428.194736 NA MeJP NA NA +MJ061208 Rauvoxine C23H28N2O6 428.194736 NA MeJP NA NA +MJ061209 Reserpiline; (4R)-N-Oxide C23H28N2O6 428.194736 NA MeJP NA NA +MJ061210 Reserpiline; (4S)-N-Oxide C23H28N2O6 428.194736 NA MeJP NA NA +MJ061211 Cytostatin C21H33O7P 428.196389 NA MeJP NA NA +MJ061212 1-[3-([1,1'-Biphenyl]-4-ylmethyl)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-7-yl]cyclopentanecarboxylic acid C28H28O4 428.198759 NA MeJP NA NA +PJ001287 ATTH C17H28N6O7 428.202 NA PeJP NA NA +MJ061213 1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 1-O-?-D-Glucopyranoside C21H32O9 428.204632 NA MeJP NA NA +MJ061214 1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 15-Aldehyde, 11?,13-dihydro, 1-O-?-D-glucopyranoside C21H32O9 428.204632 NA MeJP NA NA +MJ061215 1,3-Dihydroxy-12,6-eudesmanolide, 11,13-Didehydro, 1-O-?-D-glucopyranoside C21H32O9 428.204632 NA MeJP NA NA +MJ061216 1,3-Dihydroxy-12,6-eudesmanolide, 3-Ketone, 1-O-?-D-glucopyranoside C21H32O9 428.204632 NA MeJP NA NA +MJ061217 1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide, 11?,13-Dihydro, 6-O-?-D-glucopyranoside C21H32O9 428.204632 NA MeJP NA NA +MJ061218 2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 4-O-?-D-Galactopyranoside C21H32O9 428.204632 NA MeJP NA NA +MJ061219 2,4-Dihydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro, 2-O-?-D-glucopyranoside C21H32O9 428.204632 NA MeJP NA NA +MJ061220 3,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 3-O-?-D-glucopyranoside C21H32O9 428.204632 NA MeJP NA NA +MJ061221 3,14-Dihydroxy-1(10),4-germacradien-12,6-olide, 3-O-?-D-Glucopyranoside C21H32O9 428.204632 NA MeJP NA NA +MJ061222 3,7-Dihydroxy-4-eudesmen-12,6-olide, 3-O-?-D-Glucopyranoside C21H32O9 428.204632 NA MeJP NA NA +MJ061223 3,8-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-O-?-D-Glucopyranoside C21H32O9 428.204632 NA MeJP NA NA +MJ061224 3,8-Dihydroxy-10(14)-guaien-12,6-olide, 3-O-?-D-Glucopyranoside C21H32O9 428.204632 NA MeJP NA NA +MJ061225 3,8-Dihydroxy-4(15),9,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, 8-O-?-D-glucopyranoside C21H32O9 428.204632 NA MeJP NA NA +MJ061226 3,9,13-Trihydroxy-7-illuden-1-one, 9-O-?-D-Glucopyranoside C21H32O9 428.204632 NA MeJP NA NA +MJ061227 3-Hydroxy-4,11(13)-guaiadien-12,8-olide, 11?,13-Dihydro, 4?,5?-epoxide, 3-O-?-D-glucopyranoside C21H32O9 428.204632 NA MeJP NA NA +MJ061228 Floridanolide; 14-Butanoyloxy, 13-acetoxy C21H32O9 428.204632 NA MeJP NA NA +MJ061229 1-(2-Amino-1-oxopropyl)-2,3,3a,13a,14,15,16,18a-octahydro-8-methoxy-5,9-metheno-9H-dipyrrolo[3,2-b:1',2'-e][1,5,8]oxadiazacyclopentadecine-13,18-(1H,12H)-dione C22H28N4O5 428.20597 NA MeJP NA NA +MJ061230 1-(Diethylamino)-3-[(2,3-dimethoxy-6-nitro-9-acridinyl)amino]-2-propanol C22H28N4O5 428.20597 NA MeJP NA NA +MJ061231 Cyanonaphthyridinomycin; Hydroquinone C22H28N4O5 428.20597 NA MeJP NA NA +PJ001288 PPCL C19H32N4O5S 428.2094 NA PeJP NA NA +MJ061232 4-[2-Oxo-2-[[phenyl[2-(1-piperidinyl)phenyl]methyl]amino]ethyl]benzoic acid C27H28N2O3 428.209992 NA MeJP NA NA +MJ061233 Quinine; Benzoyl C27H28N2O3 428.209992 NA MeJP NA NA +8182 ACE Inhibitor ALEP 428.215 antibacterial Inhouse_peptide NA peptide +MJ061234 Alanylprolylglycyltryptophan; Amide C21H28N6O4 428.217203 NA MeJP NA NA +MJ061235 N-(2-Aminoethyl)-2-[4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]acetamide C21H28N6O4 428.217203 NA MeJP NA NA +MJ061236 1,15-Dihydroxy-9,11(13)-chiloscyphadiene-8,12-dione; 15-Carboxylic acid, 1-O-(4,6-dimethyl-2,4-octadienoyl)(2E,4E,6?-) C25H32O6 428.219888 NA MeJP NA NA +MJ061237 1,3,5,7(14),10-Bisabolapentaene-1,2,4,8-tetrol; 2,8-Diangeloyl C25H32O6 428.219888 NA MeJP NA NA +MJ061238 3,4-Epoxy-5,15,19-trihydroxybufa-14,20,22-trienolide, 15-Me ether C25H32O6 428.219888 NA MeJP NA NA +MJ061239 3,6-Dihydroxyfuranoeremophilan-9-one, 3-(3-Methyl-2-butenoyl), 6-angeloyl C25H32O6 428.219888 NA MeJP NA NA +MJ061240 3,6-Dihydroxyfuranoeremophilan-9-one, 3-Angeloyl, 6-(3-methyl-2-butenoyl) C25H32O6 428.219888 NA MeJP NA NA +MJ061241 3,6-Dihydroxyfuranoeremophilan-9-one, 3-Tigloyl, 6-angeloyl C25H32O6 428.219888 NA MeJP NA NA +MJ061242 3,6-Dihydroxyfuranoeremophilan-9-one, 3-Angeloyl, 6-(3-methyl-2-butenoyl) C25H32O6 428.219888 NA MeJP NA NA +MJ061243 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-[2-(Angeloyloxymethyl)-2-butenoyl](E-) C25H32O6 428.219888 NA MeJP NA NA +MJ061244 Andibenin A; 6'-De-hydroxy C25H32O6 428.219888 NA MeJP NA NA +MJ061245 Andilesin A C25H32O6 428.219888 NA MeJP NA NA +MJ061246 Austalide K; 14?-Hydroxy C25H32O6 428.219888 NA MeJP NA NA +MJ061247 Ilicicolin F; Dechloro C25H32O6 428.219888 NA MeJP NA NA +MJ061248 Kampanol C C25H32O6 428.219888 NA MeJP NA NA +MJ061249 Pallidone G; ?5'-Isomer, 9',10'-didehydro C25H32O6 428.219888 NA MeJP NA NA +MJ061250 Zaldaride C26H28N4O2 428.221226 NA MeJP NA NA +MJ061251 Lobuprofen C25H33ClN2O2 428.223056 NA MeJP NA NA +PJ001289 APLE C19H32N4O7 428.2271 NA PeJP NA NA +C09038 Aspidoalbine C24H32N2O5 428.2311 NA KEGG NA NA +MJ061252 13-Hydroxylupanine; O-(3,4-Dimethoxybenzoyl) C24H32N2O5 428.231122 NA MeJP NA NA +MJ061253 Aspidoalbine C24H32N2O5 428.231122 NA MeJP NA NA +MJ061254 Aspidospermiose C24H32N2O5 428.231122 NA MeJP NA NA +MJ061255 Falipamil C24H32N2O5 428.231122 NA MeJP NA NA +MJ061256 Metoserpate C24H32N2O5 428.231122 NA MeJP NA NA +MJ061257 Strychnosilidine; O-De-Ac C24H32N2O5 428.231122 NA MeJP NA NA +MJ061258 Irbesartan C25H28N6O 428.232459 NA MeJP NA NA +C07469 Irbesartan C25H28N6O 428.2325 NA KEGG NA NA +MJ061259 11-(4-Acetylphenyl)-17-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one C29H32O3 428.235144 NA MeJP NA NA +PJ001290 GPQK C18H32N6O6 428.2384 NA PeJP NA NA +MJ061260 2,3,5,6,10,14,16-Grayanotoxaneheptol, 14-Ac C22H36O8 428.241018 NA MeJP NA NA +MJ061261 2,3,5,6,7,10,16-Grayanotoxaneheptol, 6-Ac C22H36O8 428.241018 NA MeJP NA NA +MJ061262 3,11-Dihydroxy-4-isophionanone; 11-O-(2-O-Acetyl-?-D-xylopyranoside) C22H36O8 428.241018 NA MeJP NA NA +MJ061263 5,11-Dihydroxy-4-iphionanone; 11-O-(2-O-Acetyl-?-D-xylopyranoside) C22H36O8 428.241018 NA MeJP NA NA +MJ061264 Lotrafiban C23H32N4O4 428.242355 NA MeJP NA NA +MJ061265 Nummularine F C23H32N4O4 428.242355 NA MeJP NA NA +C10011 Nummularine F C23H32N4O4 428.2424 NA KEGG NA NA +MJ061266 Echinoclathrine C C25H36N2O2S 428.249749 NA MeJP NA NA +MJ061267 1-(2,4,6-Trihydroxyphenyl)-5,8,11,14,17-eicosapentaen-1-one, 17',18'-Dihydro, 17'R-hydroxy C26H36O5 428.256274 NA MeJP NA NA +MJ061268 12,22-Dihydroxy-24-methyl-24-oxo-16-scalaren-25-al; 12?-form, 22-Carboxylic acid, 12-ketone C26H36O5 428.256274 NA MeJP NA NA +MJ061269 13,16-Epoxy-2-hydroxy-7,13(16),14-labdatrien-18-oic acid; 2?-form, O-(3-Methyl-2-pentenoyl) C26H36O5 428.256274 NA MeJP NA NA +MJ061270 19-Norpregna-1,3,5(10),20-tetraen-3-ol; 3-O-?-L-Fucopyranoside C26H36O5 428.256274 NA MeJP NA NA +MJ061271 2,9-Dihydroxy-4,10(14)-oplopadien-3-one, 9-(3-Methyl-2E-pentenoyl), 2-angeloyl C26H36O5 428.256274 NA MeJP NA NA +MJ061272 6,19-Epoxy-3,6,8(19),11,15(17)-cembrapentaene-16,20-diol, 16-Butanoyl, 20-Ac C26H36O5 428.256274 NA MeJP NA NA +MJ061273 6,19-Epoxy-3,6,8(19),11,15(17)-cembrapentaene-16,20-diol, 20-Butanoyl, 16-Ac C26H36O5 428.256274 NA MeJP NA NA +MJ061274 7,21-Dihydroxy-24,25,26,27-tetranor-3-oxoapotirucalla-14,20(22)-dien-23,21-olide C26H36O5 428.256274 NA MeJP NA NA +MJ061275 8,11-Epoxy-7,11-dihydroxy-3,9,12-eunicellatrien-2-one, 11-Me ether, 7-(3-methyl-2-butenoyl) C26H36O5 428.256274 NA MeJP NA NA +MJ061276 Antibiotic AD 26-1 C26H36O5 428.256274 NA MeJP NA NA +MJ061277 Demethylfurospongin 3; 1-Me ester C26H36O5 428.256274 NA MeJP NA NA +MJ061278 Demethylfurospongin 4; 1-Me ester C26H36O5 428.256274 NA MeJP NA NA +MJ061279 Dicirenone C26H36O5 428.256274 NA MeJP NA NA +MJ061280 Domoprednate C26H36O5 428.256274 NA MeJP NA NA +MJ061281 Maurapyrone A C26H36O5 428.256274 NA MeJP NA NA +MJ061282 Strongylophorine 8 C26H36O5 428.256274 NA MeJP NA NA +MJ061283 Tricoccin S13 C26H36O5 428.256274 NA MeJP NA NA +MJ061284 Vilasinin C26H36O5 428.256274 NA MeJP NA NA +PJ001291 SPLL C20H36N4O6 428.2635 NA PeJP NA NA +MJ061285 2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,20,22-tetracosaundecaene-1,24-dial C30H36O2 428.27153 NA MeJP NA NA +PJ001292 GPKK C19H36N6O5 428.2747 NA PeJP NA NA +MJ061286 Phycomycin C23H40O7 428.277403 NA MeJP NA NA +MJ061287 12-Hydroxy-16-scalarene-24,25-dial, Ac C27H40O4 428.292659 NA MeJP NA NA +MJ061288 12-Hydroxy-17-scalaren-25,24-olide; 12?-form, Ac C27H40O4 428.292659 NA MeJP NA NA +MJ061289 14-Hydroxyspirost-4-en-3-one C27H40O4 428.292659 NA MeJP NA NA +MJ061290 15,20-Dihydroxycholesta-4,14-diene-3,16-dione; 20?-form C27H40O4 428.292659 NA MeJP NA NA +MJ061291 16,18,20-Trihydroxycholesta-1,4,22-trien-3-one C27H40O4 428.292659 NA MeJP NA NA +MJ061292 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Cyclohexanemethoxycarboxylate C27H40O4 428.292659 NA MeJP NA NA +MJ061293 17-Hydroxypregn-4-ene-3,20-dione, Hexanoyl C27H40O4 428.292659 NA MeJP NA NA +MJ061294 18,20-Dihydroxycholesta-1,4-diene-3,16-dione; 20S-form C27H40O4 428.292659 NA MeJP NA NA +MJ061295 18,22-Epoxy-18-hydroxycholest-5-ene-3,16-dione C27H40O4 428.292659 NA MeJP NA NA +MJ061296 2-(5-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-6-methyl-1,2-benzenediol; 10',11'-Dihydro, 12'-oxo C27H40O4 428.292659 NA MeJP NA NA +MJ061297 2-(5-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-6-methyl-1,2-benzenediol; 17'-Hydroxy C27H40O4 428.292659 NA MeJP NA NA +MJ061298 21,24-Epoxy-17,21-dihydroxycholesta-1,4-dien-3-one C27H40O4 428.292659 NA MeJP NA NA +MJ061299 24,25-Epoxy-17(24),18(25)-scalaradiene-12,16-diol, 16-Ac C27H40O4 428.292659 NA MeJP NA NA +MJ061300 24,25-Epoxy-17(24),18(25)-scalaradiene-12,16-diol, 12-Ac C27H40O4 428.292659 NA MeJP NA NA +MJ061301 24-Hydroperoxy-6-hydroxycholesta-4,25-dien-3-one, 6-Ketone C27H40O4 428.292659 NA MeJP NA NA +MJ061302 25-Hydroperoxy-6-hydroxycholesta-4,23-dien-3-one, 6-Ketone C27H40O4 428.292659 NA MeJP NA NA +MJ061303 3,23,25-Trihydroxy-9,10-secocholesta-5,7,10(19)-trien-26-oic acid, ?-Lactone C27H40O4 428.292659 NA MeJP NA NA +MJ061304 3-Hydroxyspirost-25(27)-en-12-one C27H40O4 428.292659 NA MeJP NA NA +MJ061305 3-Hydroxyspirost-5-en-11-one C27H40O4 428.292659 NA MeJP NA NA +MJ061306 3-Hydroxyspirost-5-en-12-one C27H40O4 428.292659 NA MeJP NA NA +MJ061307 3-Hydroxyspirost-5-en-7-one C27H40O4 428.292659 NA MeJP NA NA +MJ061308 3-Hydroxyspirost-9(11)-en-12-one C27H40O4 428.292659 NA MeJP NA NA +MJ061309 4-Hydroxy-2-(15-phenylpentadecanoyl)-1,3-cyclohexanedione C27H40O4 428.292659 NA MeJP NA NA +MJ061310 6-Hydroxy-2,8-dimethyl-2-(4,8,12-trimethyl-7,8-dihydroxy-3,11-tridecadienyl)-2H-chromene C27H40O4 428.292659 NA MeJP NA NA +MJ061311 Antibiotic BR 050 C27H40O4 428.292659 NA MeJP NA NA +MJ061312 Bajamarin C27H40O4 428.292659 NA MeJP NA NA +MJ061313 Comnostin A C27H40O4 428.292659 NA MeJP NA NA +MJ061314 Furoscalarol C27H40O4 428.292659 NA MeJP NA NA +MJ061315 Litophytolide A C27H40O4 428.292659 NA MeJP NA NA +MJ061316 Paecilomycerol C27H40O4 428.292659 NA MeJP NA NA +MJ061317 Pycnophorin C27H40O4 428.292659 NA MeJP NA NA +MJ061318 Sargaquinone; 10',11'-Dihydroxy, 10',11'-dihydro C27H40O4 428.292659 NA MeJP NA NA +MJ061319 Sargatetraol C27H40O4 428.292659 NA MeJP NA NA +MJ061320 Spirosta-5,25(27)-diene-1,3-diol C27H40O4 428.292659 NA MeJP NA NA +MJ061321 Spirosta-5,25(27)-diene-3,11-diol C27H40O4 428.292659 NA MeJP NA NA +MJ061322 Spirostane-3,12-diol, 3,12-Diketone C27H40O4 428.292659 NA MeJP NA NA +MJ061323 Striatol; Demethyl C27H40O4 428.292659 NA MeJP NA NA +MJ061324 Stypotriol C27H40O4 428.292659 NA MeJP NA NA +MJ061325 Suberitenone A C27H40O4 428.292659 NA MeJP NA NA +C08148 Hydroxyprogesterone caproate C27H40O4 428.2927 NA KEGG NA NA +PJ001293 ALLL C21H40N4O5 428.2999 NA PeJP NA NA +MJ061326 4,9-Dihydroxy-5,10-dimethyl-3,8-bis(5-methylhexyl)-1,6-dioxecane-2,7-dione C24H44O6 428.313789 NA MeJP NA NA +MJ061327 Ascorbic acid, 2-O-Octadecyl C24H44O6 428.313789 NA MeJP NA NA +MJ061328 Sigmosceptrellin D C24H44O6 428.313789 NA MeJP NA NA +HMDB02728 Thyroxine sulfate C15H11I4NO7S 428.321747 MH2+ Inhouse_peptide NA peptide +MJ061329 Antibiotic Sch 38512 C23H44N2O5 428.325022 NA MeJP NA NA +MJ061330 Fluvirucin A; Fluvirucin A1 C23H44N2O5 428.325022 NA MeJP NA NA +C08154 Nandrolone decanoate C28H44O3 428.329 NA KEGG NA NA +HMDB06225 Ercalcitriol C28H44O3 428.32904 http://www.hmdb.ca/metabolites/HMDB06225 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06225 Ercalcitriol C28H44O3 428.32904 http://www.hmdb.ca/metabolites/HMDB06225 HMDB NA NA +HMDB06225 Ercalcitriol C28H44O3 428.32904 http://www.hmdb.ca/metabolites/HMDB06225 PFEM_hmdb_metabocards_blood NA blood +HMDB06225 Ercalcitriol C28H44O3 428.32904 HMDB06225 PFEM_hmdb_metabocards_official NA NA +HMDB06225 Ercalcitriol C28H44O3 428.329041 NA HMDB2010 NA NA +MJ061331 11,20-Dihydroxy-23-methylcholesta-1,22-dien-7-one C28H44O3 428.329045 NA MeJP NA NA +MJ061332 17-Hydroxyestr-4-en-3-one; 17?-form, Decanoyl C28H44O3 428.329045 NA MeJP NA NA +MJ061333 3,25-Dihydroxyergosta-5,24(28)-dien-7-one C28H44O3 428.329045 NA MeJP NA NA +MJ061334 4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid C28H44O3 428.329045 NA MeJP NA NA +MJ061335 5,6-Epoxyergosta-8(14),22-diene-3,7-diol C28H44O3 428.329045 NA MeJP NA NA +MJ061336 5,6-Epoxyergosta-8(14),24(28)-diene-3,7-diol C28H44O3 428.329045 NA MeJP NA NA +MJ061337 5,6-Epoxyergosta-8,24(28)-diene-3,7-diol C28H44O3 428.329045 NA MeJP NA NA +MJ061338 5,8-Epidioxy-23,24-didemethylgorgost-6-en-3-ol C28H44O3 428.329045 NA MeJP NA NA +MJ061339 5,8-Epidioxyergosta-6,9(11),24(28)-trien-3-ol, 24,28-Dihydro C28H44O3 428.329045 NA MeJP NA NA +MJ061340 8,9-Epoxy-3-hydroxy-8,9-secoergosta-7,22-dien-12-one C28H44O3 428.329045 NA MeJP NA NA +MJ061341 8,9-Epoxyergosta-5,22-diene-3,15-diol C28H44O3 428.329045 NA MeJP NA NA +MJ061342 9,10-Secoergosta-5,7,10(19),22-tetraene-3,24,26-triol C28H44O3 428.329045 NA MeJP NA NA +MJ061343 9,10-Secoergosta-5,7,10(19),22-tetraene-3,25,26-triol C28H44O3 428.329045 NA MeJP NA NA +MJ061344 Ergosta-5,24(28)-diene-3,16,20-triol, 16-Ketone C28H44O3 428.329045 NA MeJP NA NA +MJ061345 Ergosta-5,8,22-triene-3,7-diol, 5?,6?-Epoxide C28H44O3 428.329045 NA MeJP NA NA +MJ061346 Ergosta-7,22,25-triene-3,5,6-triol C28H44O3 428.329045 NA MeJP NA NA +MJ061347 Ergosta-7,22-diene-3,5,6-triol, 6-Ketone C28H44O3 428.329045 NA MeJP NA NA +MJ061348 Ergosta-7,24(28)-diene-3,5,6-triol, 6-Ketone C28H44O3 428.329045 NA MeJP NA NA +MJ061349 Ergosta-7,9(11),22-triene-3,5,6-triol C28H44O3 428.329045 NA MeJP NA NA +MJ061350 Ergosterol peroxide C28H44O3 428.329045 NA MeJP NA NA +MJ061351 Nalodionol C28H44O3 428.329045 NA MeJP NA NA +MJ061352 Stoloniferone B; 22,23-Dihydro C28H44O3 428.329045 NA MeJP NA NA +MJ061353 Stoloniolide I; 22,23-Dihydro C28H44O3 428.329045 NA MeJP NA NA +MJ061354 Variecoacetal A; 5-O-De-Me, 5-Et ether C28H44O3 428.329045 NA MeJP NA NA +MetaCyc03523 4α-carboxy-5α-cholesta-8,24-dien-3β-ol [] C28H44O3 428.329045 NA metacyc NA NA +MJ061355 Buxaminol I; N3,N3-Di-Me, N20-formyl C27H44N2O2 428.340278 NA MeJP NA NA +MJ061356 Buxiramine D C27H44N2O2 428.340278 NA MeJP NA NA +MJ061357 Cevanine C27H44N2O2 428.340278 NA MeJP NA NA +MJ061358 Solanocapsine; 5,6-Didehydro C27H44N2O2 428.340278 NA MeJP NA NA +EUR415 Vitamin E F1 F1 428.355275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR415 Vitamine E F1 NA 428.355275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR415 Vitamin E F1 F1 428.355275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR415 Vitamine E F1 NA 428.355275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR415 Vitamin E F1 F1 428.355275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR415 Vitamine E F1 NA 428.355275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR415 Vitamin E F1 F1 428.355275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR415 Vitamin E F1 F1 428.355275 standards wishlist analysés sur QTOF HMDB NA NA +EUR415 Vitamin E F1 F1 428.355275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR415 Vitamine E F1 NA 428.355275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR415 Vitamin E F1 F1 428.355275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR415 Vitamin E F1 F1 428.355275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C03910 (24R,24'R)-Fucosterol epoxide C29H48O2 428.3654 NA KEGG NA NA +C11509 3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde C29H48O2 428.3654 NA KEGG NA NA +HMDB03822 Cholesteryl acetate C29H48O2 428.365417 NA HMDB2010 NA NA +HMDB12168 4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol C29H48O2 428.365417 NA HMDB2010 NA NA +HMDB03822 Cholesteryl acetate C29H48O2 428.36542 http://www.hmdb.ca/metabolites/HMDB03822 HMDB NA NA +HMDB03822 Cholesteryl acetate C29H48O2 428.36542 HMDB03822 PFEM_hmdb_metabocards_official NA NA +MJ061359 1-Hydroxystigmast-4-en-3-one C29H48O2 428.36543 NA MeJP NA NA +MJ061360 11,14,17,20,23-Nonacosapentaenoic acid C29H48O2 428.36543 NA MeJP NA NA +MJ061361 14-Methylergosta-9(11),24(28)-dien-3,7-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061362 17-Hydroxy-28-nor-3-friedelanone; 17?-form C29H48O2 428.36543 NA MeJP NA NA +MJ061363 19-Hydroxy-30-nor-22-hopanone; 19?-form C29H48O2 428.36543 NA MeJP NA NA +MJ061364 20-Hydroxy-30-norursan-3-one; 20?-form C29H48O2 428.36543 NA MeJP NA NA +MJ061365 21-Hydroxy-29-nor-22-hopanone; 21?-form C29H48O2 428.36543 NA MeJP NA NA +MJ061366 22,29,30-Trinor-21-hopanol; 21?-form, Ac C29H48O2 428.36543 NA MeJP NA NA +MJ061367 22,29-Epoxy-30-norhopan-13-ol C29H48O2 428.36543 NA MeJP NA NA +MJ061368 22-Hydroxy-30-nor-21-gammaceranone; 22?-form C29H48O2 428.36543 NA MeJP NA NA +MJ061369 23-Methylergosta-5,22-diene-3,7-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061370 24,25-Epoxy-29-norcycloartan-3-ol C29H48O2 428.36543 NA MeJP NA NA +MJ061371 26,27-Cyclo-24,26-dimethylcholest-5-ene-3,7-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061372 26,27-Dimethyl-9,10-secocholesta-5,7,10(19)-triene-3,25-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061373 28-Nor-12-oleanene-3,17-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061374 28-Nor-20(29)-lupene-3,17-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061375 29-Norcycloart-23-ene-3,25-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061376 29-Norcycloart-24-en-3-ol, 24,25-Epoxide C29H48O2 428.36543 NA MeJP NA NA +MJ061377 3-Hydroxy-20-methylergost-24-en-23-one C29H48O2 428.36543 NA MeJP NA NA +MJ061378 3-Hydroxy-26,27-dinorlanost-9(11)-en-24-one, Me ether C29H48O2 428.36543 NA MeJP NA NA +MJ061379 3-Hydroxy-27-norcycloartan-24-one C29H48O2 428.36543 NA MeJP NA NA +MJ061380 3-Hydroxystigmast-22-en-6-one C29H48O2 428.36543 NA MeJP NA NA +MJ061381 30-Nor-3,20-lupanediol, 20-Ketone C29H48O2 428.36543 NA MeJP NA NA +MJ061382 4-Methylergosta-7,24(28)-diene-3,4-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061383 4-Methylergosta-8,24(28)-diene-3,4-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061384 6-Hydroxystigmast-4-en-3-one C29H48O2 428.36543 NA MeJP NA NA +MJ061385 8,9-Epoxy-8,9-secoergosta-7,9(11)-dien-3-ol, Me ether C29H48O2 428.36543 NA MeJP NA NA +MJ061386 Adipedatol C29H48O2 428.36543 NA MeJP NA NA +MJ061387 Ergosta-5,24(28)-diene-3,7-diol, 7-Me ether C29H48O2 428.36543 NA MeJP NA NA +MJ061388 Roxburghiadiol A C29H48O2 428.36543 NA MeJP NA NA +MJ061389 Stigmast-5-ene-3,4-diol, 25,26-Didehydro C29H48O2 428.36543 NA MeJP NA NA +MJ061390 Stigmast-5-ene-3,7-diol, 7-Ketone C29H48O2 428.36543 NA MeJP NA NA +MJ061391 Stigmasta-4,25-diene-3,6-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061392 Stigmasta-5,22-diene-3,7-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061393 Stigmasta-5,24(28)-dien-3-ol, 24S,28S-Epoxide C29H48O2 428.36543 NA MeJP NA NA +MJ061394 Stigmasta-5,24(28)-diene-3,7-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061395 Stigmasta-5,25-diene-3,7-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061396 Stigmasta-5,28-diene-3,20-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061397 Stigmasta-5,28-diene-3,24-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061398 Stigmasta-7,24(28)-dien-3-ol, 24R,28R-Epoxide C29H48O2 428.36543 NA MeJP NA NA +MJ061399 Stigmasta-7,24(28)-dien-3-ol, 24S,28S-Epoxide C29H48O2 428.36543 NA MeJP NA NA +MJ061400 Stigmasta-7,25-diene-2,3-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061401 Stigmasta-7,28-diene-3,24-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061402 Stigmasta-8(14),24(28)-diene-3,7-diol C29H48O2 428.36543 NA MeJP NA NA +MJ061403 Stigmastane-3,6-diol, Diketone C29H48O2 428.36543 NA MeJP NA NA +MJ061404 Surianol C29H48O2 428.36543 NA MeJP NA NA +MetaCyc03524 4α-hydroxymethyl-4β-methyl-5α-cholesta-8,24-dien-3β-ol [] C29H48O2 428.365431 NA metacyc NA NA +MetaCyc03525 (22α)-hydroxy-isofucosterol [] C29H48O2 428.365431 NA metacyc NA NA +MJ061405 Buxidienine I; 16-Deoxy, N-tetra-Me C28H48N2O 428.376664 NA MeJP NA NA +MJ061406 Chonemorphine; N-(3-Methyl-2-butenoyl) C28H48N2O 428.376664 NA MeJP NA NA +MJ061407 Chonemorphine; N-Tigloyl C28H48N2O 428.376664 NA MeJP NA NA +MJ061408 Cyclobuxoxazine C; N-Me, 16-deoxy C28H48N2O 428.376664 NA MeJP NA NA +MJ061409 Cycloprotobuxine I; N3,N20-Di-Me, N20-Ac C28H48N2O 428.376664 NA MeJP NA NA +MJ061410 Cyclovirobuxeine I; N-Tetra-Me C28H48N2O 428.376664 NA MeJP NA NA +MJ061411 Pregnane-3,20-diamine, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl) C28H48N2O 428.376664 NA MeJP NA NA +C05109 24,25-Dihydrolanosterol C30H52O 428.4018 NA KEGG NA NA +C06083 Tetrahymanol C30H52O 428.4018 NA KEGG NA NA +C06084 Hopanoid C30H52O 428.4018 NA KEGG NA NA +C06085 Triterpenoid C30H52O 428.4018 NA KEGG NA NA +C06309 Diplopterol C30H52O 428.4018 NA KEGG NA NA +C17123 epi-Friedelanol C30H52O 428.4018 NA KEGG NA NA +MJ061412 1-Friedelanol; 1?-form C30H52O 428.401816 NA MeJP NA NA +MJ061413 13,17,21-Polypodatrien-8-ol; 8?-form C30H52O 428.401816 NA MeJP NA NA +MJ061414 14-Methylstigmast-9(11)-en-3-ol C30H52O 428.401816 NA MeJP NA NA +MJ061415 17-Hopanol; 17?-form C30H52O 428.401816 NA MeJP NA NA +MJ061416 20-Lupanol C30H52O 428.401816 NA MeJP NA NA +MJ061417 22-Hopanol C30H52O 428.401816 NA MeJP NA NA +MJ061418 24-Methyl-27-norlanostan-25-one; 24?-form C30H52O 428.401816 NA MeJP NA NA +MJ061419 24-Methylstigmastan-3-ol C30H52O 428.401816 NA MeJP NA NA +MJ061420 24-Propylidenecholest-5-en-3-ol, 24R,28-Dihydro C30H52O 428.401816 NA MeJP NA NA +MJ061421 24-Propylidenecholest-5-en-3-ol, 5?,6-Dihydro C30H52O 428.401816 NA MeJP NA NA +MJ061422 26,26-Dimethylergost-7-en-3-ol C30H52O 428.401816 NA MeJP NA NA +MJ061423 28-Methylstigmast-22-en-3-ol C30H52O 428.401816 NA MeJP NA NA +MJ061424 28-Methylstigmast-5-en-3-ol C30H52O 428.401816 NA MeJP NA NA +MJ061425 29-Hopanol C30H52O 428.401816 NA MeJP NA NA +MJ061426 3,4-Secodammara-4,24-dien-3-ol C30H52O 428.401816 NA MeJP NA NA +MJ061427 3-Friedelanol C30H52O 428.401816 NA MeJP NA NA +MJ061428 3-Gammaceranol C30H52O 428.401816 NA MeJP NA NA +MJ061429 3-Hopanol C30H52O 428.401816 NA MeJP NA NA +MJ061430 3-Hydroxymethyl-A-norgorgostane C30H52O 428.401816 NA MeJP NA NA +MJ061431 3-Lupanol C30H52O 428.401816 NA MeJP NA NA +MJ061432 4,14,24-Trimethylcholest-9(11)-en-3-ol C30H52O 428.401816 NA MeJP NA NA +MJ061433 4,23-Dimethylergost-17(20)-en-3-ol C30H52O 428.401816 NA MeJP NA NA +MJ061434 4,23-Dimethylergosta-7,22-dien-3-ol, 22,23?-Dihydro C30H52O 428.401816 NA MeJP NA NA +MJ061435 4-Methylstigmast-7-en-3-ol C30H52O 428.401816 NA MeJP NA NA +MJ061436 4-Methylstigmasta-8(14),24(28)-dien-3-ol, 24,28-Dihydro C30H52O 428.401816 NA MeJP NA NA +MJ061437 4-Methylstigmastan-3-ol, 8,14-Didehydro C30H52O 428.401816 NA MeJP NA NA +MJ061438 7-Friedelanol; 7?-form C30H52O 428.401816 NA MeJP NA NA +MJ061439 8,14-Epoxyonocerane C30H52O 428.401816 NA MeJP NA NA +MJ061440 9,13,17,21-Achillatetraen-6-ol; 6?-form C30H52O 428.401816 NA MeJP NA NA +MJ061441 Ambrein C30H52O 428.401816 NA MeJP NA NA +MJ061442 Camelliol B C30H52O 428.401816 NA MeJP NA NA +MJ061443 Colysanoxide C30H52O 428.401816 NA MeJP NA NA +MJ061444 Cycloartan-29-ol C30H52O 428.401816 NA MeJP NA NA +MJ061445 Cycloartanol C30H52O 428.401816 NA MeJP NA NA +MJ061446 Cycloeucalenol; 24R,28-Dihydro C30H52O 428.401816 NA MeJP NA NA +MJ061447 Cycloeucalenol; 24S,28-Dihydro C30H52O 428.401816 NA MeJP NA NA +MJ061448 Dammar-24-en-20-ol C30H52O 428.401816 NA MeJP NA NA +MJ061449 Dinosterol C30H52O 428.401816 NA MeJP NA NA +MJ061450 Euph-25-en-3-ol; 3?-form C30H52O 428.401816 NA MeJP NA NA +MJ061451 Euph-7-en-3-ol C30H52O 428.401816 NA MeJP NA NA +MJ061452 Graminol A C30H52O 428.401816 NA MeJP NA NA +MJ061453 Lanost-25-en-3-ol C30H52O 428.401816 NA MeJP NA NA +MJ061454 Lanost-8-en-3-ol C30H52O 428.401816 NA MeJP NA NA +MJ061455 Lanost-9(11)-en-3-ol C30H52O 428.401816 NA MeJP NA NA +MJ061456 Sasanquol C30H52O 428.401816 NA MeJP NA NA +MJ061457 Tirucalla-5,24-dien-3-ol, 24,25-Dihydro C30H52O 428.401816 NA MeJP NA NA +MJ061458 24,25-Dihydrolanosterol C30H52O 428.401816 NA MeJP NA NA +MetaCyc03526 hopan-22-ol [diplopterol;] C30H52O1 428.401816 NA metacyc NA NA +MetaCyc03527 4,4-dimethyl-5α-cholest-7-en-3β-ol [] C30H52O1 428.401816 NA metacyc NA NA +HMDB06836 Tetrahymanol C30H52O 428.40182 http://www.hmdb.ca/metabolites/HMDB06836 HMDB NA NA +HMDB06839 24,25-Dihydrolanosterol C30H52O 428.40182 http://www.hmdb.ca/metabolites/HMDB06839 HMDB NA NA +HMDB06836 Tetrahymanol C30H52O 428.40182 HMDB06836 PFEM_hmdb_metabocards_official NA NA +HMDB06839 24,25-Dihydrolanosterol C30H52O 428.40182 HMDB06839 PFEM_hmdb_metabocards_official NA NA +HMDB06836 Tetrahymanol C30H52O 428.401825 NA HMDB2010 NA NA +HMDB06839 24,25-Dihydrolanosterol C30H52O 428.401825 NA HMDB2010 NA NA +2801 peptide T ASTTTNYT 428.68145 MH2+ Inhouse_peptide NA peptide +MJ061459 2,3,4,6-Tetrabromo-1H-indole C8H3Br4N 428.699899 NA MeJP NA NA +MJ061460 2,3,4,7-Tetrabromo-1H-indole C8H3Br4N 428.699899 NA MeJP NA NA +MJ061461 2,3,5,6-Tetrabromo-1H-indole C8H3Br4N 428.699899 NA MeJP NA NA +C10907 Cloransulam-methyl C15H13ClFN5O5S 429.031 NA KEGG NA NA +MJ061462 Suncillin C16H19N3O7S2 429.066441 NA MeJP NA NA +MJ061463 Antibiotic A 2121; Antibiotic A 2121-1, Aglycone C20H15NO10 429.069595 NA MeJP NA NA +MJ061464 Salazodine C18H15N5O6S 429.074303 NA MeJP NA NA +MJ061465 Cycloplatam C9H18N2O5Pt 429.086346 NA MeJP NA NA +MJ061466 1,2,9-Trihydroxydibenz[cd,f]indol-4(5H)-one; N-?-D-Glucopyranosyl C21H19NO9 429.105981 NA MeJP NA NA +MJ061467 Zofenoprilat; S-Benzoyl C22H23NO4S2 429.106849 NA MeJP NA NA +MJ061468 Azalanstat C22H24ClN3O2S 429.127775 NA MeJP NA NA +MJ061469 6-(1H-Indol-3-yl)-8-(2,3,4,5-tetrahydroxypentyl)-2,4,7-(1H,3H,8H)-pteridinetrione; D-ribo-form C19H19N5O7 429.128447 NA MeJP NA NA +MJ061470 Chromopyrrolic acid; 5'-Hydroxy, di-Me ester C24H19N3O5 429.13247 NA MeJP NA NA +MJ061471 Adlumidiceine; 1-Hydroxy, Me ester C22H23NO8 429.142366 NA MeJP NA NA +MJ061472 Antibiotic FD 839 C22H23NO8 429.142366 NA MeJP NA NA +MJ061473 Bicucullinidine C22H23NO8 429.142366 NA MeJP NA NA +MJ061474 Coryrutine; 1-Oxo C22H23NO8 429.142366 NA MeJP NA NA +MJ061475 N-Methyloxohydrasteine C22H23NO8 429.142366 NA MeJP NA NA +PJ001294 GCNH C15H23N7O6S 429.1431 NA PeJP NA NA +MJ061476 3-Nitro-1-propanol; O-[?-D-Galactopyranosyl-(1?6)-?-D-glucopyranoside] C15H27NO13 429.148239 NA MeJP NA NA +MJ061477 3-Nitro-1-propanol; O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C15H27NO13 429.148239 NA MeJP NA NA +MJ061478 3-Nitro-1-propanol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C15H27NO13 429.148239 NA MeJP NA NA +MJ061479 ?-D-Neuraminopyranosyl-(2?3)-D-galactose C15H27NO13 429.148239 NA MeJP NA NA +MJ061480 Amicycline C21H23N3O7 429.1536 NA MeJP NA NA +MJ061481 Eurypamide C C21H23N3O7 429.1536 NA MeJP NA NA +MJ061482 Serratiochelin C21H23N3O7 429.1536 NA MeJP NA NA +MJ061483 Biemnadin C27H19N5O 429.15896 NA MeJP NA NA +MJ061484 Simmondsin; Di-O-de-Me, 2-O-(3-methyl-2-butenoyl) C19H27NO10 429.163496 NA MeJP NA NA +MJ061485 Simmondsin; Di-O-de-Me, 3-O-(3-methyl-2-butenoyl) C19H27NO10 429.163496 NA MeJP NA NA +MJ061486 Simmondsin; Di-O-de-Me, 4-O-(3-methyl-2-butenoyl) C19H27NO10 429.163496 NA MeJP NA NA +MJ061487 Pyroglutamylasparaginyltryptophan C20H23N5O6 429.164833 NA MeJP NA NA +MJ061488 Florifenine C23H22F3N3O2 429.166411 NA MeJP NA NA +PJ001295 PPCN C17H27N5O6S 429.1682 NA PeJP NA NA +MJ061489 Phenactropinium(1+), Chloride C24H28ClNO4 429.170686 NA MeJP NA NA +MJ061490 Metioxate C22H27N3O4S 429.172227 NA MeJP NA NA +7980 synthetic peptide HHH 429.174 antioxidative Inhouse_peptide NA peptide +MJ061491 Jacmaia incana Alkaloid C23H27NO7 429.178752 NA MeJP NA NA +MJ061492 Nuciferine, O2,N-Di-de-Me, O-?-D-glucopyranoside C23H27NO7 429.178752 NA MeJP NA NA +MJ061493 Senampelines; Senampeline G, 5-Deacetoxy, 5-oxo C23H27NO7 429.178752 NA MeJP NA NA +MJ061494 Thalicsimidine, N-De-Me, N-methoxycarbonyl C23H27NO7 429.178752 NA MeJP NA NA +PJ001296 GPQE C17H27N5O8 429.186 NA PeJP NA NA +PJ001297 HHH C18H23N9O4 429.1873 NA PeJP NA NA +3382 ACE inhibitor GWAP 429.189 celiac toxic Inhouse_peptide NA peptide +8047 synthetic peptide PWQ 429.189 anticancer Inhouse_peptide NA peptide +MJ061495 Verruculogen TR2 C22H27N3O6 429.189985 NA MeJP NA NA +PJ001298 TFY C22H27N3O6 429.19 NA PeJP NA NA +MJ061496 17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-7-(phenylmethylene)morphinan-6-one C27H27NO4 429.194008 NA MeJP NA NA +PJ001299 PQW C21H27N5O5 429.2012 NA PeJP NA NA +MJ061497 Piscarinine B C26H27N3O3 429.205241 NA MeJP NA NA +MJ061498 Alpinigenine, Et ether C24H31NO6 429.215137 NA MeJP NA NA +MJ061499 Apiosporamide C24H31NO6 429.215137 NA MeJP NA NA +MJ061500 Hetisan-2,11,13,14-tetrol, 2,13-Di-Ac C24H31NO6 429.215137 NA MeJP NA NA +MJ061501 Sarpogrelate C24H31NO6 429.215137 NA MeJP NA NA +MJ061502 Diphthine; 1'-Amide, 1-?-D-ribofuranoside C18H31N5O7 429.222348 NA MeJP NA NA +PJ001300 GPKE C18H31N5O7 429.2224 NA PeJP NA NA +MJ061503 Athelvencin B C19H27N9O3 429.223685 NA MeJP NA NA +MJ061504 Sibanomicin C23H31N3O5 429.226371 NA MeJP NA NA +PJ001301 GPTR C17H31N7O6 429.2336 NA PeJP NA NA +PJ001302 PKW C22H31N5O4 429.2376 NA PeJP NA NA +MJ061505 Melagatran C22H31N5O4 429.237604 NA MeJP NA NA +MJ061506 2-Undecyl-4(1H)-quinolinone; 10'-Acetoxy, N-(acetoxymethyl) C25H35NO5 429.251523 NA MeJP NA NA +MJ061507 Antibiotic F 1839A; 2-Deoxy, N-(2-hydroxyethyl) C25H35NO5 429.251523 NA MeJP NA NA +MJ061508 Mebeverine C25H35NO5 429.251523 NA MeJP NA NA +MJ061509 Spirodihydrobenzofuranlactam I; N-(2-Hydroxyethyl) C25H35NO5 429.251523 NA MeJP NA NA +MJ061510 Stachybotrin C25H35NO5 429.251523 NA MeJP NA NA +MJ061511 Yuzurimine; 20-Deacetoxy C25H35NO5 429.251523 NA MeJP NA NA +PJ001303 SPVK C19H35N5O6 429.2588 NA PeJP NA NA +MJ061512 Mifepristone C29H35NO2 429.266779 NA MeJP NA NA +MJ061513 Miproxifene C29H35NO2 429.266779 NA MeJP NA NA +C07652 Mifepristone C29H35NO2 429.2668 NA KEGG NA NA +C13848 UK 78282 C29H35NO2 429.2668 NA KEGG NA NA +PJ001304 AALR C18H35N7O5 429.27 NA PeJP NA NA +PJ001305 VRR C17H35N9O4 429.2812 NA PeJP NA NA +MJ061514 Adaprolol C26H39NO4 429.287908 NA MeJP NA NA +MJ061515 Antibiotic AB 4063B; 1'',2''-Epoxide C26H39NO4 429.287908 NA MeJP NA NA +MJ061516 Antibiotic PF 1052 C26H39NO4 429.287908 NA MeJP NA NA +MJ061517 Piericidin; Piericidin A1, 10'-Me ether C26H39NO4 429.287908 NA MeJP NA NA +MJ061518 Piericidin; Piericidin A2 C26H39NO4 429.287908 NA MeJP NA NA +MJ061519 Toloconium(1+), Methyl sulfate C23H43NO4S 429.291279 NA MeJP NA NA +PJ001306 GLLK C20H39N5O5 429.2951 NA PeJP NA NA +HMDB00712 Hexadecanedioic acid mono-L-carnitine ester C23H43NO6 429.30905 http://www.hmdb.ca/metabolites/HMDB00712 HMDB NA NA +HMDB00712 Hexadecanedioic acid mono-L-carnitine ester C23H43NO6 429.30905 HMDB00712 PFEM_hmdb_metabocards_official NA NA +HMDB00712 Hexadecanedioic acid mono-L-carnitine ester C23H43NO6 429.309052 NA HMDB2010 NA NA +MJ061520 3,25-Dihydroxy-6-cevanone C27H43NO3 429.324294 NA MeJP NA NA +MJ061521 3,6,14-Cevanetriol, 6-Ketone C27H43NO3 429.324294 NA MeJP NA NA +MJ061522 3,6,16-Cevanetriol, 6-Ketone C27H43NO3 429.324294 NA MeJP NA NA +MJ061523 5-Spirosolene-3,23-diol C27H43NO3 429.324294 NA MeJP NA NA +MJ061524 Cevane-3,6,20-triol, 6-Ketone C27H43NO3 429.324294 NA MeJP NA NA +MJ061525 Ebeietinone C27H43NO3 429.324294 NA MeJP NA NA +MJ061526 Edpetisidine C27H43NO3 429.324294 NA MeJP NA NA +MJ061527 Edpetisidinine C27H43NO3 429.324294 NA MeJP NA NA +MJ061528 Hakurirodine C27H43NO3 429.324294 NA MeJP NA NA +MJ061529 Imperialine C27H43NO3 429.324294 NA MeJP NA NA +MJ061530 Isorubijervine; 12?-Hydroxy C27H43NO3 429.324294 NA MeJP NA NA +MJ061531 Korsine C27H43NO3 429.324294 NA MeJP NA NA +MJ061532 Siechuantine C27H43NO3 429.324294 NA MeJP NA NA +MJ061533 Solanudine C27H43NO3 429.324294 NA MeJP NA NA +MJ061534 Spirosol-5-en-3-ol, N-Hydroxy C27H43NO3 429.324294 NA MeJP NA NA +MJ061535 Spirosol-5-ene-3,12-diol C27H43NO3 429.324294 NA MeJP NA NA +MJ061536 Spirosol-5-ene-3,15-diol C27H43NO3 429.324294 NA MeJP NA NA +MJ061537 Spirosol-5-ene-3,21-diol C27H43NO3 429.324294 NA MeJP NA NA +MJ061538 Spirosol-5-ene-3,27-diol C27H43NO3 429.324294 NA MeJP NA NA +MJ061539 Spirosolane-3,15-diol, 15-Ketone C27H43NO3 429.324294 NA MeJP NA NA +MJ061540 Stenanzine C27H43NO3 429.324294 NA MeJP NA NA +MJ061541 Veramarine C27H43NO3 429.324294 NA MeJP NA NA +C10808 Imperialine C27H43NO3 429.3243 NA KEGG NA NA +MJ061542 16,28-Secosolanid-5-ene-3,16-diol, N-Me C28H47NO2 429.360679 NA MeJP NA NA +MJ061543 20-Aminopregnan-3-ol, N-Di-Me, O-(3-methyl-2-butenoyl) C28H47NO2 429.360679 NA MeJP NA NA +MJ061544 Edpetilidinine C28H47NO2 429.360679 NA MeJP NA NA +MJ061545 Mycalazoles; Mycalazole 3, 11',12',20',21'-Tetrahydro C28H47NO2 429.360679 NA MeJP NA NA +MJ061546 Ningpeisine C28H47NO2 429.360679 NA MeJP NA NA +MJ061547 Puqietinone C28H47NO2 429.360679 NA MeJP NA NA +MJ061548 Rhinolidine C28H47NO2 429.360679 NA MeJP NA NA +EUR416 Vitamin E F2 F2 429.366975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR416 Vitamine E F2 NA 429.366975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR416 Vitamin E F2 F2 429.366975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR416 Vitamine E F2 NA 429.366975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR416 Vitamin E F2 F2 429.366975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR416 Vitamine E F2 NA 429.366975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR416 Vitamin E F2 F2 429.366975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR416 Vitamin E F2 F2 429.366975 standards wishlist analysés sur QTOF HMDB NA NA +EUR416 Vitamin E F2 F2 429.366975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR416 Vitamine E F2 NA 429.366975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR416 Vitamin E F2 F2 429.366975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR416 Vitamin E F2 F2 429.366975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB12171 4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol C29H49O2 429.37326 NA HMDB2010 NA NA +7666 ACE inhibitor from b-CN (191-197) LLYQQPV 429.7335 MH2+ Inhouse_peptide NA peptide +MJ061549 Oregonene A C10H12Br2Cl4 429.805986 NA MeJP NA NA +MJ061550 Amathaspiramide C; 1,2-Didehydro C15H16Br2N2O3 429.952767 NA MeJP NA NA +C13706 DNDS C14H10N2O10S2 429.9777 NA KEGG NA NA +MJ061551 Caespitol C15H25Br2ClO2 429.990983 NA MeJP NA NA +MJ061552 Isocaespitol C15H25Br2ClO2 429.990983 NA MeJP NA NA +C17111 Caespitol C15H25Br2ClO2 429.991 NA KEGG NA NA +C17112 Isocaespitol C15H25Br2ClO2 429.991 NA KEGG NA NA +MJ061553 1,3-Diamino-2-propanol; N-Hexa-Me, diiodide C9H24I2N2O 429.9978 NA MeJP NA NA +MJ061554 18,18-Dibromo-9,17-octadecadiene-5,7-diynoic acid, 9,10-Dihydro C18H24Br2O2 430.014305 NA MeJP NA NA +MJ061555 Dinsed C14H14N4O8S2 430.025304 NA MeJP NA NA +PJ001307 CCCC C12H22N4O5S4 430.0473 NA PeJP NA NA +MJ061556 Salazinic acid; 1''-O-Ac C20H14O11 430.053611 NA MeJP NA NA +C08160 Bicalutamide C18H14F4N2O4S 430.061 NA KEGG NA NA +C08161 Transferred to D00962 C18H14F4N2O4S 430.061 NA KEGG NA NA +MJ061557 Bicalutamide C18H14F4N2O4S 430.06104 NA MeJP NA NA +MJ061558 CMP-2-aminoethylphosphonate C11H20N4O10P2 430.065465 NA MeJP NA NA +C05673 CMP-2-aminoethylphosphonate C11H20N4O10P2 430.0655 NA KEGG NA NA +FL3FA9GS0004 Chrysin 7-glucuronide C21H18O10 430.08999 35775-49-6 knapsack NA NA +FL3FACCS0040 Derhamnosylmaysin C21H18O10 430.08999 - knapsack NA NA +FL5FGGNS0017 3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone C21H18O10 430.08999 82668-93-7 knapsack NA NA +FLIE1AGS0001 Coumestrol 3-O-glucoside;Coumestrin C21H18O10 430.08999 92631-72-6 knapsack NA NA +MJ061559 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,3',5,8-Tetra-Me, 4',5':6,7-bis(methylene) ether C21H18O10 430.089996 NA MeJP NA NA +MJ061560 3,3',4',5,5',7-Hexahydroxy-4-(2,4,6-trihydroxyphenyl)flavan C21H18O10 430.089996 NA MeJP NA NA +MJ061561 4',7-Dihydroxyflavone; 7-O-?-D-Glucuronopyranoside C21H18O10 430.089996 NA MeJP NA NA +MJ061562 5,7-Dihydroxyflavone; 7-O-Glucuronoside C21H18O10 430.089996 NA MeJP NA NA +MJ061563 Coumestrol; 3-O-?-D-Glucopyranoside C21H18O10 430.089996 NA MeJP NA NA +MJ061564 Hypoconstictic acid; 1''-Ac C21H18O10 430.089996 NA MeJP NA NA +MJ061565 Verrucigeric acid C21H18O10 430.089996 NA MeJP NA NA +MJ061566 3,4-Bis(4-hydroxyphenyl)hexane, Diphosphate C18H24O8P2 430.09464 NA MeJP NA NA +MJ061567 Graciosallene C19H27BrO6 430.099101 NA MeJP NA NA +C10915 Bispyribac acid C19H18N4O8 430.1125 NA KEGG NA NA +C11370 N-Ethylmaleimide-S-glutathione C16H22N4O8S 430.1158 NA KEGG NA NA +MJ061568 Cyanobacterin C23H23ClO6 430.118316 NA MeJP NA NA +HMDB10334 Ketoprofen glucuronide C22H22O9 430.126373 NA HMDB2010 NA NA +FL1AAAGM0001 4,6,4'-Trihydroxy-7-methylaurone 4-rhamnoside C22H22O9 430.12638 124089-66-3 knapsack NA NA +FL3FA9CS0006 Kaplanin;8-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one C22H22O9 430.12638 329229-05-2 knapsack NA NA +FL3FAAGM0001 3-C-Methylapigenin 5-rhamnoside C22H22O9 430.12638 87339-63-7 knapsack NA NA +FL3FAAGM0002 5,7,4'-Trihydroxy-3'-C-methylflavone 4'-rhamnoside C22H22O9 430.12638 92358-40-2 knapsack NA NA +FL3FABGS0014 Acacetin 7-O-alpha-L-rhamnopyranoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C22H22O9 430.12638 77208-28-7 knapsack NA NA +FL3FADCS0003 Alternanthin;6-(2,6-Dideoxy-beta-L-xylo-hexopyranosyl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C22H22O9 430.12638 119269-48-6 knapsack NA NA +FL3FAECS0003 Torosaflavone B;6-(2,6-Dideoxy-beta-D-lyxo-hexopyranosyl)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one C22H22O9 430.12638 124961-71-3 knapsack NA NA +FL3FCACS0005 8-C-Rhamnosylgenkwanin C22H22O9 430.12638 106132-81-4 knapsack NA NA +FL3FCBCS0001 7,4'-Di-O-Methylisomollupentin C22H22O9 430.12638 - knapsack NA NA +FL3FE9GS0011 5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside C22H22O9 430.12638 163350-29-6 knapsack NA NA +FL5F39GS0001 3,7-Dihydroxy-8-methylflavone 7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3-hydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one C22H22O9 430.12638 217815-44-6 knapsack NA NA +FL5F9AGL0001 3-Hydroxy-4'-methoxyflavone 3-glucoside C22H22O9 430.12638 135557-21-0 knapsack NA NA +FL63ACNS0023 Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate) C22H22O9 430.12638 99257-73-5 knapsack NA NA +FLIA1ACS0006 Puerarin 4'-methyl ether C22H22O9 430.12638 92117-94-7 knapsack NA NA +FLIA1AGS0002 Ononin;Formononetin 7-O-glucoside C22H22O9 430.12638 486-62-4 knapsack NA NA +FLIAE9GS0001 5,7-Dihydroxy-6-methoxyisoflavone 7-O-rhamnoside C22H22O9 430.12638 88607-80-1 knapsack NA NA +MJ061569 1,2-Dihydroxy-7-methylanthraquinone; 2-Me ether, 1-O-?-D-glucopyranoside C22H22O9 430.126382 NA MeJP NA NA +MJ061570 1,3,8-Trihydroxy-2-methylanthraquinone; 8-Me ether, 3-O-?-L-rhamnopyranoside C22H22O9 430.126382 NA MeJP NA NA +MJ061571 3,3',4',5,7-Pentahydroxyflavan, 3-O-(1,6-Dihydroxy-2-cyclohexene-1-carboxylate) C22H22O9 430.126382 NA MeJP NA NA +MJ061572 3,4'-Dihydroxyflavone; 4'-Me ether, 3-O-?-D-glucopyranoside C22H22O9 430.126382 NA MeJP NA NA +MJ061573 3,7,8-Trihydroxyflavone; 8-Me ether, 7-O-?-L-rhamnopyranoside C22H22O9 430.126382 NA MeJP NA NA +MJ061574 4',5,7-Trihydroxy-3'-methylflavone; 4'-O-?-L-Rhamnopyranoside C22H22O9 430.126382 NA MeJP NA NA +MJ061575 4',5,7-Trihydroxy-3-methylflavone; 5-O-?-L-Rhamnopyranoside C22H22O9 430.126382 NA MeJP NA NA +MJ061576 4',5,7-Trihydroxy-8-rhamnopyranosylflavone; 7-Me ether C22H22O9 430.126382 NA MeJP NA NA +MJ061577 4',5,7-Trihydroxyflavone; 5,7-Di-Me ether, 4'-O-?-D-apiofuranoside C22H22O9 430.126382 NA MeJP NA NA +MJ061578 4',7-Dihydroxyisoflavone; 7-Me ether, 4'-O-?-D-glucopyranoside C22H22O9 430.126382 NA MeJP NA NA +MJ061579 4,4',6-Trihydroxy-7-methylaurone; 4-O-?-L-Rhamnopyranoside C22H22O9 430.126382 NA MeJP NA NA +MJ061580 4-Hydroxybenzaldehyde; O-[4-Hydroxycinnamoyl-(?3 or 4)-?-D-glucopyranoside] C22H22O9 430.126382 NA MeJP NA NA +MJ061581 5,6,7-Trihydroxyisoflavone; 6-Me ether, 7-O-?-L-rhamnopyranoside C22H22O9 430.126382 NA MeJP NA NA +MJ061582 5,7-Dihydroxy-4'-methoxyflavone; 7-O-?-L-Rhamnopyranoside C22H22O9 430.126382 NA MeJP NA NA +MJ061583 5,7-Dihydroxy-6-methoxyflavone; 5-O-?-L-Rhamnopyranoside C22H22O9 430.126382 NA MeJP NA NA +MJ061584 5,7-Dihydroxyflavone; 7-Me ether, 5-O-?-D-glucopyranoside C22H22O9 430.126382 NA MeJP NA NA +MJ061585 6,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one; 7-Me ether, 6-O-?-D-galactopyranoside C22H22O9 430.126382 NA MeJP NA NA +MJ061586 6,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one; 7-Me ether, 6-O-?-D-glucopyranoside C22H22O9 430.126382 NA MeJP NA NA +MJ061587 7-Hydroxy-4'-methoxyisoflavone; 7-O-?-D-Glucopyranoside C22H22O9 430.126382 NA MeJP NA NA +MJ061588 8-Glucosyl-5,7-dihydroxyflavone; 7-Me ether C22H22O9 430.126382 NA MeJP NA NA +MJ061589 Alternanthin C22H22O9 430.126382 NA MeJP NA NA +MJ061590 Maackiain, O-?-L-Rhamnopyranoside C22H22O9 430.126382 NA MeJP NA NA +MJ061591 Multiforisin D C22H22O9 430.126382 NA MeJP NA NA +MJ061592 Phenarctin; 2'-Me ether C22H22O9 430.126382 NA MeJP NA NA +MJ061593 Puerarin; 4'-Me ether C22H22O9 430.126382 NA MeJP NA NA +MJ061594 Torosaflavone B C22H22O9 430.126382 NA MeJP NA NA +MetaCyc03528 ononin [] C22H22O9 430.126382 NA metacyc NA NA +MetaCyc03529 formononetin-7-O-glucoside [] C22H22O9 430.126382 NA metacyc NA NA +C10509 Ononin C22H22O9 430.1264 NA KEGG NA NA +PJ001308 GCDH C15H22N6O7S 430.1271 NA PeJP NA NA +MJ061595 4-[5'-(Hydroxymethyl)[2,2'-bithiophen-5-yl]]-3-butyn-1-ol; 1-(3-Methylbutanoyl), 1'''-(2-methyl-2E-butenoyl) C23H26O4S2 430.12725 NA MeJP NA NA +MJ061596 4-[5'-(Hydroxymethyl)[2,2'-bithiophen-5-yl]]-3-butyn-1-ol; 1-(3-Methylbutanoyl), 1'''-(3-methyl-2-butenoyl) C23H26O4S2 430.12725 NA MeJP NA NA +MJ061597 Inosine; 3'-O-?-D-Glucopyranosyl C16H22N4O10 430.133592 NA MeJP NA NA +MJ061598 Tetrahydro-6-(1-iodo-3,6,9-pentadecatrienyl)-2H-pyran-2-one C20H31IO2 430.136873 NA MeJP NA NA +MJ061599 6-Demethyltetracycline C21H22N2O8 430.137615 NA MeJP NA NA +MJ061600 Fostriecin C19H27O9P 430.139268 NA MeJP NA NA +C09971 Stypandrol C26H22O6 430.1416 NA KEGG NA NA +MJ061601 Stypandrol C26H22O6 430.141638 NA MeJP NA NA +MJ061602 1-O-Coumaroylglycerol, 3'-Methoxy, 3-O-?-D-glucopyranoside C19H26O11 430.147511 NA MeJP NA NA +MJ061603 1-O-Coumaroylglycerol, 3'-Methoxy, 2-O-?-D-glucopyranoside C19H26O11 430.147511 NA MeJP NA NA +MJ061604 1-O-Coumaroylglycerol, 3'-Methoxy, 3-O-?-D-glucopyranoside C19H26O11 430.147511 NA MeJP NA NA +MJ061605 2'-Hydroxyacetophenone; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C19H26O11 430.147511 NA MeJP NA NA +MJ061606 4'-Hydroxyacetophenone; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C19H26O11 430.147511 NA MeJP NA NA +MJ061607 Geniposidic acid; 10-Ac, Me ester C19H26O11 430.147511 NA MeJP NA NA +PJ001309 PPCD C17H26N4O7S 430.1522 NA PeJP NA NA +MJ061608 5a,6-Dihydro-3-(1H-indol-3-yl)-1,4-dimethoxy-10bH-benzofuro[2,3-b]indole-2,10b-diol; O2-Me C25H22N2O5 430.152871 NA MeJP NA NA +FL5FEANI0005 Aliarin 4'-methyl ether;5,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-3,6-dimethoxy-4H-1-benzopyran-4-one C23H26O8 430.16276 88048-20-8 knapsack NA NA +FL5FEANI0007 3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one C23H26O8 430.16276 343337-05-3 knapsack NA NA +MJ061609 2-(1,4-Dihydroxy-4-methylpentyl)-5,8-dihydroxy-1,4-naphthoquinone, 1'-(3-Methyl-2-butenoyl), 4'-Ac C23H26O8 430.162767 NA MeJP NA NA +MJ061610 3,3',4,4',5,5'-Hexahydroxylignan-9,9'-olide, 3',4'-Methylene, 3,4,5,5'-tetra-Me ether C23H26O8 430.162767 NA MeJP NA NA +MJ061611 3,4',5,6,7-Pentahydroxy-3'-prenylflavone; 2'',3''-Dihydro, 4''-hydroxy, 3,4',6-tri-Me ether C23H26O8 430.162767 NA MeJP NA NA +MJ061612 3,4',5,6,7-Pentahydroxy-3'-prenylflavone; 2'',3''-Dihydro, 4''-hydroxy, 4',5,6-tri-Me ether C23H26O8 430.162767 NA MeJP NA NA +MJ061613 3,4,5,7-Tetramethoxy-3',4'-methylenedioxy-7,9':7',9-diepoxylignan C23H26O8 430.162767 NA MeJP NA NA +MJ061614 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3,8-Bis(2-hydroxymethylpropenoyl) C23H26O8 430.162767 NA MeJP NA NA +MJ061615 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(3-Acetoxy-3-methylbutanoyl) C23H26O8 430.162767 NA MeJP NA NA +MJ061616 8-Hydroxypinoresinol; 4'-Me ether, 8-Ac C23H26O8 430.162767 NA MeJP NA NA +MJ061617 Cluytene D C23H26O8 430.162767 NA MeJP NA NA +MJ061618 Deoxypodophyllic acid; Me ester C23H26O8 430.162767 NA MeJP NA NA +MJ061619 Eupomatilone 4 C23H26O8 430.162767 NA MeJP NA NA +MJ061620 Imbricaric acid; 2''-Oxo C23H26O8 430.162767 NA MeJP NA NA +MJ061621 Patulodin C23H26O8 430.162767 NA MeJP NA NA +MJ061622 Peperomin B C23H26O8 430.162767 NA MeJP NA NA +MJ061623 Pneumatopterin C; 1''-Deoxy C23H26O8 430.162767 NA MeJP NA NA +MJ061624 Sesartemin C23H26O8 430.162767 NA MeJP NA NA +MJ061625 Sikkimotoxin C23H26O8 430.162767 NA MeJP NA NA +MJ061626 Stenosporic acid; 2'''-Oxo C23H26O8 430.162767 NA MeJP NA NA +MJ061627 Tenellic acid B; 1''-Ac C23H26O8 430.162767 NA MeJP NA NA +C10884 Sesartemin C23H26O8 430.1628 NA KEGG NA NA +C13680 Lophotoxin C23H26O8 430.1628 NA KEGG NA NA +PJ001310 GSMH C16H26N6O6S 430.1635 NA PeJP NA NA +MJ061628 Win 46834 C24H22N4O4 430.164105 NA MeJP NA NA +MJ061629 [3-[[3-(2-Amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-1H-indol-5-yl]oxy]propyl]phosphonic acid C22H27N2O5P 430.165758 NA MeJP NA NA +MJ061630 9,15,16-Trihydroxy-7-isopimaren-19,6-olide, 16-Sulfate C20H30O8S 430.166138 NA MeJP NA NA +MJ061631 Thiobiscephalosporolide A C20H30O8S 430.166138 NA MeJP NA NA +PJ001311 GPEE C17H26N4O9 430.17 NA PeJP NA NA +8041 synthetic peptide PWE 430.173 antioxidative Inhouse_peptide NA peptide +MJ061632 Avizafone C22H27ClN4O3 430.177168 NA MeJP NA NA +C11725 Avizafone C22H27ClN4O3 430.1772 NA KEGG NA NA +C15027 2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate C27H26O5 430.178 NA KEGG NA NA +PJ001312 SSTH C16H26N6O8 430.1812 NA PeJP NA NA +MJ061633 Amiperone C24H28ClFN2O2 430.182334 NA MeJP NA NA +MJ061634 2-Phenylethanol; O-[?-D-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C20H30O10 430.183897 NA MeJP NA NA +MJ061635 4,8-Dihydroxy-2-methyl-6-methylene-2-octenal, 8-O-(2,6-Diacetyl-?-D-glucopyranoside) C20H30O10 430.183897 NA MeJP NA NA +MJ061636 Papiliochrome II C21H26N4O6 430.185234 NA MeJP NA NA +PJ001313 PEW C21H26N4O6 430.1853 NA PeJP NA NA +PJ001314 SPPM C18H30N4O6S 430.1886 NA PeJP NA NA +MJ061637 4-[2-Nitro-2-phenyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]ethenyl]phenol C26H26N2O4 430.189257 NA MeJP NA NA +PJ001315 QHF C20H26N6O5 430.1965 NA PeJP NA NA +MJ061638 1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 3-(3-methyl-2-butenoyl) C24H30O7 430.199153 NA MeJP NA NA +MJ061639 1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 3-tigloyl C24H30O7 430.199153 NA MeJP NA NA +MJ061640 1,6,13-Trihydroxy-12,11-drimanolide, 6-Benzoyl, 13-Ac C24H30O7 430.199153 NA MeJP NA NA +MJ061641 2'-Deoxy-2'-(3-methyl-2-butenoyl)bruceol; 1''-Alcohol, 2''?,3''?-dihydro, 2'',3''-dihydroxy C24H30O7 430.199153 NA MeJP NA NA +MJ061642 2,17,19-Trihydroxy-1,13(16)14-spongiatrien-3-one; 17,19-Di-Ac C24H30O7 430.199153 NA MeJP NA NA +MJ061643 3,20-Epoxy-6,15-dihydroxy-16-kaurene-1,7-dione, Di-Ac C24H30O7 430.199153 NA MeJP NA NA +MJ061644 3,5,14-Trihydroxy-16,19-dioxobufa-20,22-dienolide C24H30O7 430.199153 NA MeJP NA NA +MJ061645 3,6-Dihydro-3,3',4,4',7-pentahydroxy-3,8'-bilign-8-en-6-one, 3,3',4,4'-Tetra-Me ether, 7'-Ac C24H30O7 430.199153 NA MeJP NA NA +MJ061646 4,6-Dihydroxy-8-daucen-10-one, 6-(3,4-Methylenedioxy-5-methoxybenzoyl) C24H30O7 430.199153 NA MeJP NA NA +MJ061647 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 6-Angeloyl, 9-(2-methylpropanoyl) C24H30O7 430.199153 NA MeJP NA NA +MJ061648 7,20-Epoxy-6,7,15-trihydroxy-2,16-kauradien-1-one, 6,15-Di-Ac C24H30O7 430.199153 NA MeJP NA NA +MJ061649 7-Protoilludene-1,5,6,14-tetrol, 14-Aldehyde, 5-(2-hydroxy-4-methoxy-6-methylbenzoyl) C24H30O7 430.199153 NA MeJP NA NA +MJ061650 7-Protoilludene-5,6,9,14-tetrol, 14-Aldehyde, 5-(2-hydroxy-4-methoxy-6-methylbenzoyl) C24H30O7 430.199153 NA MeJP NA NA +MJ061651 7-Protoilludene-5,6,9,14-tetrol, 14-Aldehyde, 6-Me ether, 5-(2,4-dihydroxy-6-methylbenzoyl) C24H30O7 430.199153 NA MeJP NA NA +MJ061652 8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8-(2-Methylpropanoyl), 11-angeloyl C24H30O7 430.199153 NA MeJP NA NA +MJ061653 Anziaic acid C24H30O7 430.199153 NA MeJP NA NA +MJ061654 Clusin; Et ether C24H30O7 430.199153 NA MeJP NA NA +MJ061655 Coleon J; 3-Epimer, 7,12-di-Ac C24H30O7 430.199153 NA MeJP NA NA +MJ061656 Coleon J; 7,12-Di-Ac C24H30O7 430.199153 NA MeJP NA NA +MJ061657 Coleon O; 12-Ac C24H30O7 430.199153 NA MeJP NA NA +MJ061658 Hexademethylpyrimidatin A; Hexa-Me ether C24H30O7 430.199153 NA MeJP NA NA +MJ061659 Hypophyllanthin C24H30O7 430.199153 NA MeJP NA NA +MJ061660 Imbricaric acid; 2'-Me ether C24H30O7 430.199153 NA MeJP NA NA +MJ061661 Kadsulignan N C24H30O7 430.199153 NA MeJP NA NA +MJ061662 Khellactone, Bis-O-(3-methylbutanoyl) C24H30O7 430.199153 NA MeJP NA NA +MJ061663 Mammea B/BA; 1'''-Acetoxy C24H30O7 430.199153 NA MeJP NA NA +MJ061664 Marinoic acid C24H30O7 430.199153 NA MeJP NA NA +MJ061665 Moslolignan A; 2'-Methoxy C24H30O7 430.199153 NA MeJP NA NA +MJ061666 Neomammein, 1'''-Acetoxy C24H30O7 430.199153 NA MeJP NA NA +MJ061667 Nirtetralin C24H30O7 430.199153 NA MeJP NA NA +MJ061668 Schizanlignone B; Me ether C24H30O7 430.199153 NA MeJP NA NA +MJ061669 Stenosporic acid; 2-Me ether C24H30O7 430.199153 NA MeJP NA NA +C09123 Athamantin C24H30O7 430.1992 NA KEGG NA NA +MJ061670 N-[1-(Ethoxymethyl)-3-methylbutyl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide C22H30N4O3S 430.203861 NA MeJP NA NA +MJ061671 Diphthine; 1-?-D-Ribofuranoside C18H30N4O8 430.206363 NA MeJP NA NA +PJ001316 SPVE C18H30N4O8 430.2064 NA PeJP NA NA +MJ061672 13-Hydroxylupanine; O-(3,5-Dihydroxy-4-methoxybenzoyl) C23H30N2O6 430.210386 NA MeJP NA NA +MJ061673 Ajmalicinine; 10,11-Dimethoxy C23H30N2O6 430.210386 NA MeJP NA NA +MJ061674 Gardneramine oxindole; 16-Epimer C23H30N2O6 430.210386 NA MeJP NA NA +MJ061675 Herbaline C23H30N2O6 430.210386 NA MeJP NA NA +MJ061676 Jollyanine; 3-Hydroxy C23H30N2O6 430.210386 NA MeJP NA NA +MJ061677 Rotundifoline; 7-Epimer, Me ether, N-Oxide C23H30N2O6 430.210386 NA MeJP NA NA +C10762 Cinegalline C23H30N2O6 430.2104 NA KEGG NA NA +2836 oxitocin CYIQNCPLGG 430.21295 MH2+ Inhouse_peptide NA peptide +MJ061678 9,10-Dihydro-2,4,7-trihydroxy-1-(4-hydroxybenzyl)-8-prenylphenanthrene; 2,4-Di-Me ether C28H30O4 430.214409 NA MeJP NA NA +MJ061679 Thymolphthalein C28H30O4 430.214409 NA MeJP NA NA +8093 peptide derived from porcine collagen QGAR 430.217 ACE inhibitor Inhouse_peptide NA peptide +PJ001317 GVQQ C17H30N6O7 430.2176 NA PeJP NA NA +MJ061680 Netropsin C18H26N10O3 430.218934 NA MeJP NA NA +MJ061681 1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro, 1-O-?-D-glucopyranoside C21H34O9 430.220282 NA MeJP NA NA +MJ061682 1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro, 15-O-?-D-glucopyranoside C21H34O9 430.220282 NA MeJP NA NA +MJ061683 1,3-Dihydroxy-12,6-eudesmanolide, 1-O-?-D-Glucopyranoside C21H34O9 430.220282 NA MeJP NA NA +MJ061684 2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 11?,13-Dihydro, 2-O-?-D-glucopyranoside C21H34O9 430.220282 NA MeJP NA NA +MJ061685 2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 11?,13-Dihydro, 4-O-?-D-glucopyranoside C21H34O9 430.220282 NA MeJP NA NA +MJ061686 7,8,11-Trihydroxy-4-guaien-3-one, 8-O-?-D-Glucopyranoside C21H34O9 430.220282 NA MeJP NA NA +MJ061687 Aeginetic acid; 5-O-?-D-Glucopyranoside C21H34O9 430.220282 NA MeJP NA NA +MJ061688 Hymenoxynin C21H34O9 430.220282 NA MeJP NA NA +MJ061689 Jiocarotenoside A1 C21H34O9 430.220282 NA MeJP NA NA +PJ001318 APPF C22H30N4O5 430.2216 NA PeJP NA NA +MJ061690 Radiosumin; 5,6-Didehydro C22H30N4O5 430.22162 NA MeJP NA NA +PJ001319 APLM C19H34N4O5S 430.225 NA PeJP NA NA +PJ001320 QQR C16H30N8O6 430.2288 NA PeJP NA NA +PJ001321 GAQR C16H30N8O6 430.2289 NA PeJP NA NA +EUR452 Androsterone glucuronide F3 F3 430.229175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR452 Androsterone glucuronide F3 NA 430.229175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR452 Androsterone glucuronide F3 F3 430.229175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR452 Androsterone glucuronide F3 NA 430.229175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR452 Androsterone glucuronide F3 F3 430.229175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR452 Androsterone glucuronide F3 NA 430.229175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR452 Androsterone glucuronide F3 F3 430.229175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR452 Androstérone glucuronide F3 F3 430.229175 standards wishlist analysés sur QTOF HMDB NA NA +EUR452 Androsterone glucuronide F3 F3 430.229175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR452 Androsterone glucuronide F3 NA 430.229175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR452 Androsterone glucuronide F3 F3 430.229175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR452 Androsterone glucuronide F3 F3 430.229175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ001322 KHF C21H30N6O4 430.2329 NA PeJP NA NA +CJpos0790 Androsterone glucuronide [(M+H)-2(H2O)]+ C25H35O6 430.234975 C18rt(min)=8.7 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0790 Androsterone glucuronide [(M+H)-2(H2O)]+ C25H35O6 430.234975 C18rt(min)=8.7 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C15425 21-Hydroxypregn-4-ene-3,20-dione hydrogen succinate C25H34O6 430.2355 NA KEGG NA NA +MJ061691 1,9,15-Heptadecatriene-11,13-diyn-8-ol, 8-(2-O-Acetyl-L-rhamnoside) C25H34O6 430.235538 NA MeJP NA NA +MJ061692 1,9,15-Heptadecatriene-11,13-diyn-8-ol, 8-(3-O-Acetyl-L-rhamnoside) C25H34O6 430.235538 NA MeJP NA NA +MJ061693 12,17-Epoxy-2,3-dihydroxy-7,13-labdadien-15,12-olide, 3-Angeloyl C25H34O6 430.235538 NA MeJP NA NA +MJ061694 14,15-Epoxy-3,16-dihydroxycard-20(22)-enolide, 16-Ac C25H34O6 430.235538 NA MeJP NA NA +MJ061695 14,15-Epoxy-5(15)-isocedrene-9,12,14-triol, 12-Deoxy, 9-(3-methyl-2-butenoyl), 14-(2-methylbutanoyl) C25H34O6 430.235538 NA MeJP NA NA +MJ061696 2,14-Dihydroxy-5,8(17),11-briaratrien-18,7-olide, 2-Propanoyl, 14-Ac C25H34O6 430.235538 NA MeJP NA NA +MJ061697 2,3,14-Trihydroxycarda-4,20(22)-dienolide, 2-Ac C25H34O6 430.235538 NA MeJP NA NA +MJ061698 3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 3,6-Diangeloyl C25H34O6 430.235538 NA MeJP NA NA +MJ061699 6-Hydroxy-7,13-labdadien-16,15-olid-17-oic acid; 6?-form, Angeloyl C25H34O6 430.235538 NA MeJP NA NA +MJ061700 8,10-Dihydroxy-3-longipinen-5-one, 10-Angeloyl, 8-(2R,3R-epoxy-2-methylbutanoyl) C25H34O6 430.235538 NA MeJP NA NA +MJ061701 8,10-Dihydroxy-3-longipinen-5-one, 10-Angeloyl, 8-(2S,3S-epoxy-2-methylbutanoyl) C25H34O6 430.235538 NA MeJP NA NA +MJ061702 8,14-Thapsanediol, 8-(4-Hydroxy-3-methoxycinnamoyl) C25H34O6 430.235538 NA MeJP NA NA +MJ061703 8,9,10-Trihydroxy-3-longipinen-5-one, 8,9-Diangeloyl C25H34O6 430.235538 NA MeJP NA NA +MJ061704 8,9,10-Trihydroxy-3-longipinen-5-one, 9,10-Diangeloyl C25H34O6 430.235538 NA MeJP NA NA +MJ061705 8-Daucene-2,4,6-triol, 6-(4-Methoxybenzoyl), 2-Ac C25H34O6 430.235538 NA MeJP NA NA +MJ061706 8-Daucene-4,6,10-triol, 6-(4-Methoxybenzoyl), 10-Ac C25H34O6 430.235538 NA MeJP NA NA +MJ061707 9,10-Dihydroxy-2,7-himachaladien-4-one, 10-(2,3-Epoxy-2-methylbutanoyl), 9-angeloyl C25H34O6 430.235538 NA MeJP NA NA +MJ061708 9,10-Dihydroxy-2,7-himachaladien-4-one, 9-(2,3-Epoxy-2-methylbutanoyl), 10-angeloyl C25H34O6 430.235538 NA MeJP NA NA +MJ061709 Budesonide C25H34O6 430.235538 NA MeJP NA NA +MJ061710 Deacylcylindrol; 4'-Ac C25H34O6 430.235538 NA MeJP NA NA +MJ061711 Erinacine E; 1,2-Didehydro C25H34O6 430.235538 NA MeJP NA NA +MJ061712 Erinacine E; 3'-Ketone C25H34O6 430.235538 NA MeJP NA NA +MJ061713 Fasciospongide A C25H34O6 430.235538 NA MeJP NA NA +MJ061714 Fukinolidiol; 1,9-Diangeloyl C25H34O6 430.235538 NA MeJP NA NA +MJ061715 Furanoeremophilane-3,6,9-triol, 6,9-Diangeloyl C25H34O6 430.235538 NA MeJP NA NA +MJ061716 Hongoquercin B C25H34O6 430.235538 NA MeJP NA NA +MJ061717 Ingenol; 3-Angeloyl C25H34O6 430.235538 NA MeJP NA NA +MJ061718 Nardostachysin C25H34O6 430.235538 NA MeJP NA NA +MJ061719 Neovibsanin C C25H34O6 430.235538 NA MeJP NA NA +MJ061720 Pallidone G C25H34O6 430.235538 NA MeJP NA NA +MJ061721 Pteroneeniol C25H34O6 430.235538 NA MeJP NA NA +MJ061722 Pyrrhopappolide; 10?-Alcohol, 10-angeloyl C25H34O6 430.235538 NA MeJP NA NA +MJ061723 Salvileucolide; 15,16-Didehydro, 13R*,14R*-epoxide, 23?6 lactone C25H34O6 430.235538 NA MeJP NA NA +MJ061724 Salvileucolide; 15,16-Didehydro, 13R*,14S*-epoxide, 23?6 lactone C25H34O6 430.235538 NA MeJP NA NA +MJ061725 Salvileucolide; 15,16-Didehydro, 13S*,14S*-epoxide, 23?6 lactone C25H34O6 430.235538 NA MeJP NA NA +MJ061726 Spirovibsanin A C25H34O6 430.235538 NA MeJP NA NA +MJ061727 Tridachiapyrone D C25H34O6 430.235538 NA MeJP NA NA +MJ061728 Nivacortol C28H31FN2O 430.242041 NA MeJP NA NA +PJ001323 GLLE C19H34N4O7 430.2428 NA PeJP NA NA +MJ061729 Indolapril C24H34N2O5 430.246772 NA MeJP NA NA +MJ061730 Trandolaprilat; 1'-Et ester C24H34N2O5 430.246772 NA MeJP NA NA +8011 synthetic peptide LWI 430.247 antibacterial Inhouse_peptide NA peptide +PJ001324 GVQK C18H34N6O6 430.254 NA PeJP NA NA +MJ061731 Homobotcinolide C22H38O8 430.256668 NA MeJP NA NA +PJ001325 LLW C23H34N4O4 430.258 NA PeJP NA NA +MJ061732 Benderizine C28H34N2O2 430.262028 NA MeJP NA NA +MJ061733 Carbifene C28H34N2O2 430.262028 NA MeJP NA NA +PJ001326 QKR C17H34N8O5 430.2652 NA PeJP NA NA +MJ061734 10-Aromadendranol, O-[3-Methyl-2-butenoyl-(?4)-D-threo-hex-1-enopyranosid-3-uloside] C26H38O5 430.271924 NA MeJP NA NA +MJ061735 10-Aromadendranol, O-[4-O-Angeloyl-D-threo-hex-1-enopyranosid-3-uloside] C26H38O5 430.271924 NA MeJP NA NA +MJ061736 12,22-Dihydroxy-24-methyl-24-oxo-16-scalaren-25-al; 12?-form, 22-Carboxylic acid C26H38O5 430.271924 NA MeJP NA NA +MJ061737 2,9-Dihydroxy-4,10(14)-oplopadien-3-one, 9-(3-Methyl-2E-pentenoyl), 2-(2-methylbutanoyl) C26H38O5 430.271924 NA MeJP NA NA +MJ061738 3,29-Dihydroxy-15-oxo-24,25,26-trinorlanosta-8,16-dien-23-oic acid C26H38O5 430.271924 NA MeJP NA NA +MJ061739 9,13,20-Trihydroxy-1,6-tigliadien-3-one, 13-(2,3-Dimethylbutanoyl) C26H38O5 430.271924 NA MeJP NA NA +MJ061740 Chinensin II C26H38O5 430.271924 NA MeJP NA NA +MJ061741 Dehydrocholic acid; Et ester C26H38O5 430.271924 NA MeJP NA NA +MJ061742 Edogestrone C26H38O5 430.271924 NA MeJP NA NA +MJ061743 Havanensin C26H38O5 430.271924 NA MeJP NA NA +MJ061744 Ingenol; 20-Deoxy, 3-hexanoyl C26H38O5 430.271924 NA MeJP NA NA +MJ061745 Pittosporatobiraside A C26H38O5 430.271924 NA MeJP NA NA +MJ061746 Resocortol; Butanoyl C26H38O5 430.271924 NA MeJP NA NA +MJ061747 Simplicissin C26H38O5 430.271924 NA MeJP NA NA +MJ061748 N-[2-[4-(1H-Indol-4-yl)-1-piperazinyl]-1-phenylethyl]cyclohexanecarboxamide C27H34N4O 430.273261 NA MeJP NA NA +MJ061749 Piritramide C27H34N4O 430.273261 NA MeJP NA NA +MJ061750 Dodecyltriphenylphosphonium(1+) C30H40P(+) 430.278937 NA MeJP NA NA +PJ001327 SVLL C20H38N4O6 430.2792 NA PeJP NA NA +MJ061751 4,4'-Diapocaroten-4-oic acid C30H38O2 430.28718 NA MeJP NA NA +MJ061752 Laurebiphenyl C30H38O2 430.28718 NA MeJP NA NA +PJ001328 GVKK C19H38N6O5 430.2904 NA PeJP NA NA +MJ061753 Lankamycin; Aglycone, 8-deoxy, O-de-Ac C23H42O7 430.293053 NA MeJP NA NA +PJ001329 KKR C18H38N8O4 430.3016 NA PeJP NA NA +C04715 (20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol C27H42O4 430.3083 NA KEGG NA NA +C08891 Convallamarogenin C27H42O4 430.3083 NA KEGG NA NA +C08902 Hecogenin C27H42O4 430.3083 NA KEGG NA NA +C08909 Ruscogenin C27H42O4 430.3083 NA KEGG NA NA +C16498 2,22-Dideoxy-3-dehydroecdysone C27H42O4 430.3083 NA KEGG NA NA +C17337 7alpha-Hydroxy-3-oxo-4-cholestenoate C27H42O4 430.3083 NA KEGG NA NA +MJ061754 1,3,25-Trihydroxy-9,10-secocholesta-5,7,10(19)-trien-23-one C27H42O4 430.308309 NA MeJP NA NA +MJ061755 1,3,25-Trihydroxy-9,10-secocholesta-5,7,10(19)-trien-24-one C27H42O4 430.308309 NA MeJP NA NA +MJ061756 12,16-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide C27H42O4 430.308309 NA MeJP NA NA +MJ061757 12-Hydroxy-16-scalarene-24,25-dial, 25-Alcohol, 12-Ac C27H42O4 430.308309 NA MeJP NA NA +MJ061758 12-Hydroxyspirostan-3-one C27H42O4 430.308309 NA MeJP NA NA +MJ061759 14-Hydroxyspirostan-3-one C27H42O4 430.308309 NA MeJP NA NA +MJ061760 16,18,20-Trihydroxy-27-norergosta-4,22-dien-3-one C27H42O4 430.308309 NA MeJP NA NA +MJ061761 16,18,20-Trihydroxycholesta-1,4,22-trien-3-one, 1,2-Dihydro C27H42O4 430.308309 NA MeJP NA NA +MJ061762 16,26-Dihydroxycholest-4-ene-3,22-dione C27H42O4 430.308309 NA MeJP NA NA +MJ061763 16-Hydroxy-12-oxo-20,24-dimethyl-25,24-scalaranolide C27H42O4 430.308309 NA MeJP NA NA +MJ061764 2,3,25-Trihydroxycholesta-4,7-dien-6-one C27H42O4 430.308309 NA MeJP NA NA +MJ061765 2-(10,11-Dihydroxygeranylgeranyl)-6-methyl-1,4-benzenediol C27H42O4 430.308309 NA MeJP NA NA +MJ061766 21,24-Epoxy-17,21-dihydroxycholesta-1,4-dien-3-one, 1,2-Dihydro C27H42O4 430.308309 NA MeJP NA NA +MJ061767 21,24-Epoxy-17,21-dihydroxycholesta-1,4-dien-3-one, 4,5-Dihydro C27H42O4 430.308309 NA MeJP NA NA +MJ061768 22,26-Epoxy-3-hydroxycholestane-4,23-dione C27H42O4 430.308309 NA MeJP NA NA +MJ061769 24,25-Epoxy-16-scalarene-12,25-diol, 12-Ac C27H42O4 430.308309 NA MeJP NA NA +MJ061770 24-Hydroperoxy-6-hydroxycholesta-4,25-dien-3-one C27H42O4 430.308309 NA MeJP NA NA +MJ061771 25-Hydroperoxy-6-hydroxycholesta-4,23-dien-3-one C27H42O4 430.308309 NA MeJP NA NA +MJ061772 3,23,25-Trihydroxy-9,10-secocholesta-5,7,10(19)-trien-24-one C27H42O4 430.308309 NA MeJP NA NA +MJ061773 3,23,25-Trihydroxy-9,10-secocholesta-5,7-dien-26-oic acid, ?-Lactone C27H42O4 430.308309 NA MeJP NA NA +MJ061774 3,26-Dihydroxycholest-5-ene-16,22-dione C27H42O4 430.308309 NA MeJP NA NA +MJ061775 3-Hydroxyspirostan-12-one C27H42O4 430.308309 NA MeJP NA NA +MJ061776 3-Hydroxyspirostan-6-one C27H42O4 430.308309 NA MeJP NA NA +MJ061777 5,6-Epoxy-3-hydroxy-9-oxo-9,11-secocholest-7-en-11-al C27H42O4 430.308309 NA MeJP NA NA +MJ061778 6-Hydroxyspirostan-3-one C27H42O4 430.308309 NA MeJP NA NA +MJ061779 Amblyone C27H42O4 430.308309 NA MeJP NA NA +MJ061780 Brachycarpone; Deacetoxy C27H42O4 430.308309 NA MeJP NA NA +MJ061781 Cabraleahydroxylactone; 17?-Hydroxy, 3-ketone C27H42O4 430.308309 NA MeJP NA NA +MJ061782 Chiograsterone C27H42O4 430.308309 NA MeJP NA NA +MJ061783 Eichlerialactone C27H42O4 430.308309 NA MeJP NA NA +MJ061784 Isochiograsterone C27H42O4 430.308309 NA MeJP NA NA +MJ061785 Nuatigenin C27H42O4 430.308309 NA MeJP NA NA +MJ061786 Spirost-25(27)-ene-1,3-diol C27H42O4 430.308309 NA MeJP NA NA +MJ061787 Spirost-25(27)-ene-2,3-diol C27H42O4 430.308309 NA MeJP NA NA +MJ061788 Spirost-5-ene-1,3-diol C27H42O4 430.308309 NA MeJP NA NA +MJ061789 Spirost-5-ene-2,3-diol C27H42O4 430.308309 NA MeJP NA NA +MJ061790 Spirost-5-ene-3,12-diol C27H42O4 430.308309 NA MeJP NA NA +MJ061791 Spirost-5-ene-3,14-diol C27H42O4 430.308309 NA MeJP NA NA +MJ061792 Spirost-5-ene-3,17-diol C27H42O4 430.308309 NA MeJP NA NA +MJ061793 Spirost-5-ene-3,23-diol C27H42O4 430.308309 NA MeJP NA NA +MJ061794 Spirost-5-ene-3,25-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H42O4 430.308309 NA MeJP NA NA +MJ061795 Spirost-5-ene-3,27-diol C27H42O4 430.308309 NA MeJP NA NA +MJ061796 Spirostene-25,x-diol C27H42O4 430.308309 NA MeJP NA NA +MetaCyc03530 (20S,22S,25S)-22,25-epoxyfurost-5-ene-3-β,26-diol [Nuatigenin;] C27H42O4 430.30831 NA metacyc NA NA +HMDB11560 MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0) C27H42O4 430.308319 NA HMDB2010 NA NA +HMDB11590 MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0) C27H42O4 430.308319 NA HMDB2010 NA NA +HMDB12458 7 alpha-Hydroxy-3-oxo-4-cholestenoate C27H42O4 430.308319 NA HMDB2010 NA NA +MJ061797 Sintaxanthin C31H42O 430.323565 NA MeJP NA NA +MJ061798 1-(3,4-Dihydroxyphenyl)-13-docosen-5-one C28H46O3 430.344695 NA MeJP NA NA +MJ061799 28,29-Dinorcycloart-24-ene-3,4,6-triol C28H46O3 430.344695 NA MeJP NA NA +MJ061800 3,11-Dihydroxy-9,11-secoergosta-5,24(28)-dien-9-one C28H46O3 430.344695 NA MeJP NA NA +MJ061801 3-Hydroxy-25,26,27-trinorlanost-9(11)-en-24-oic acid, Me ether C28H46O3 430.344695 NA MeJP NA NA +MJ061802 3-Hydroxy-25,26,27-trinorlanost-9(11)-en-24-oic acid; 3?-form, Me ether C28H46O3 430.344695 NA MeJP NA NA +MJ061803 3-Hydroxyergost-5-en-21-oic acid C28H46O3 430.344695 NA MeJP NA NA +MJ061804 5-Hydroxycholestane-3,6-dione; 5?-form, Me ether C28H46O3 430.344695 NA MeJP NA NA +MJ061805 Ergost-5-ene-3,7,22-triol, 7-Ketone C28H46O3 430.344695 NA MeJP NA NA +MJ061806 Ergosta-5,24(28)-diene-1,3,11-triol C28H46O3 430.344695 NA MeJP NA NA +MJ061807 Ergosta-5,24(28)-diene-1,3,19-triol C28H46O3 430.344695 NA MeJP NA NA +MJ061808 Ergosta-5,24(28)-diene-3,15,19-triol C28H46O3 430.344695 NA MeJP NA NA +MJ061809 Ergosta-5,24(28)-diene-3,19-diol, 5?,6?-Epoxide C28H46O3 430.344695 NA MeJP NA NA +MJ061810 Ergosta-5,24(28)-diene-3,4,20-triol C28H46O3 430.344695 NA MeJP NA NA +MJ061811 Ergosta-5,24(28)-diene-3,7,16-triol C28H46O3 430.344695 NA MeJP NA NA +MJ061812 Ergosta-5,24(28)-diene-3,7,20-triol C28H46O3 430.344695 NA MeJP NA NA +MJ061813 Ergosta-5,24(28)-diene-3,7-diol, 24?,28-Epoxide C28H46O3 430.344695 NA MeJP NA NA +MJ061814 Ergosta-6,22-diene-3,5,8-triol C28H46O3 430.344695 NA MeJP NA NA +MJ061815 Ergosta-7,22-diene-2,3,9-triol C28H46O3 430.344695 NA MeJP NA NA +MJ061816 Ergosta-7,22-diene-3,5,6-triol C28H46O3 430.344695 NA MeJP NA NA +MJ061817 Ergosta-7,24(28)-diene-3,5,6-triol C28H46O3 430.344695 NA MeJP NA NA +MJ061818 Spergulatriol C28H46O3 430.344695 NA MeJP NA NA +HMDB12166 4alpha-carboxy-5alpha-cholesta-8-en-3beta-ol C28H46O3 430.344696 NA HMDB2010 NA NA +C04746 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate C28H46O3 430.3447 NA KEGG NA NA +C04747 [Citrate-oxaloacetate-lyase((pro-3S)-CH2COO-->acetate)] C28H46O3 430.3447 NA KEGG NA NA +C04748 Protein C-terminal S-farnesyl-L-cysteine methyl ester C21H35N2O3SR 430.3447 NA KEGG NA NA +C04749 [[Hydroxymethylglutaryl-CoA reductase (NADPH)]kinase] C21H35N2O3SR 430.3447 NA KEGG NA NA +C04750 beta-D-Galactosyl-1,3-N-acetyl-alpha-D-galactosaminyl-R C14H24NO11R 430.3447 NA KEGG NA NA +C14157 Stylisterol A C28H46O3 430.3447 NA KEGG NA NA +C14159 Stylisterol C C28H46O3 430.3447 NA KEGG NA NA +C14160 Hatomasterol C28H46O3 430.3447 NA KEGG NA NA +C16253 (22R,23R)-22,23-Dihydroxy-campest-4-en-3-one C28H46O3 430.3447 NA KEGG NA NA +C16254 [Dihydrolipoyllysine-residue succinyltransferase] C12H20NO4S2R 430.3447 NA KEGG NA NA +C16255 [Dihydrolipoyllysine-residue acetyltransferase] C10H18NO2S2R 430.3447 NA KEGG NA NA +C10821 Solanocapsine C27H46N2O2 430.3559 NA KEGG NA NA +MJ061819 Buxazidine I; N3,N3,N20-Tri-Me C27H46N2O2 430.355928 NA MeJP NA NA +MJ061820 Cyclobuxoxazine C C27H46N2O2 430.355928 NA MeJP NA NA +MJ061821 Cyclomicrophylline I; N3,N20,N20-Tri-Me C27H46N2O2 430.355928 NA MeJP NA NA +MJ061822 Cyclomicrophylline I; N3,N3,N20-Tri-Me C27H46N2O2 430.355928 NA MeJP NA NA +MJ061823 Pregnane-3,20-diamine, N3,N20-Di-Me, N3,N20-di-Ac C27H46N2O2 430.355928 NA MeJP NA NA +MJ061824 Solanocapsine C27H46N2O2 430.355928 NA MeJP NA NA +EUR417 Vitamin E F3 F3 430.379975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR417 Vitamine E F3 NA 430.379975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR417 Vitamin E F3 F3 430.379975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR417 Vitamine E F3 NA 430.379975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR417 Vitamin E F3 F3 430.379975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR417 Vitamine E F3 NA 430.379975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR417 Vitamin E F3 F3 430.379975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR417 Vitamin E F3 F3 430.379975 standards wishlist analysés sur QTOF HMDB NA NA +EUR417 Vitamin E F3 F3 430.379975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR417 Vitamine E F3 NA 430.379975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR417 Vitamin E F3 F3 430.379975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR417 Vitamin E F3 F3 430.379975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB01893 alpha-Tocopherol C29H50O2 430.38107 http://www.hmdb.ca/metabolites/HMDB01893 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01893 alpha-Tocopherol C29H50O2 430.38107 http://www.hmdb.ca/metabolites/HMDB01893 HMDB NA NA +HMDB01893 alpha-Tocopherol C29H50O2 430.38107 http://www.hmdb.ca/metabolites/HMDB01893 PFEM_hmdb_metabocards_blood NA blood +HMDB01893 alpha-Tocopherol C29H50O2 430.38107 HMDB01893 PFEM_hmdb_metabocards_official NA NA +HMDB01893 Alpha-Tocopherol C29H50O2 430.381073 NA HMDB2010 NA NA +EUR108 Vitamin E C29H50O2 430.38108 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR108 Vitamin E C29H50O2 430.38108 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR108 Vitamin E C29H50O2 430.38108 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR108 Vitamin E C29H50O2 430.38108 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR108 Vitamin E C29H50O2 430.38108 Wishlist HMDB NA NA +EUR108 Vitamin E C29H50O2 430.38108 Wishlist Inhouse_PFEM NA NA +MJ061825 alpha-Tocopherol C29H50O2 430.38108 NA MeJP NA NA +MJ061826 11,14,17,20,23-Nonacosapentaenoic acid, 11,12-Dihydro C29H50O2 430.38108 NA MeJP NA NA +MJ061827 3-Hydroxystigmastan-6-one C29H50O2 430.38108 NA MeJP NA NA +MJ061828 30-Nor-3,20-lupanediol C29H50O2 430.38108 NA MeJP NA NA +MJ061829 30-Norgammacerane-21,22-diol C29H50O2 430.38108 NA MeJP NA NA +MJ061830 4-Methylergost-24(28)-ene-3,8-diol C29H50O2 430.38108 NA MeJP NA NA +MJ061831 4-Methylergost-7-ene-3,22-diol C29H50O2 430.38108 NA MeJP NA NA +MJ061832 5,6-Dimethyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-benzoquinone; 2-Methyl C29H50O2 430.38108 NA MeJP NA NA +MJ061833 ?-Tocopherol C29H50O2 430.38108 NA MeJP NA NA +MJ061834 Stigmast-14-ene-3,16-diol C29H50O2 430.38108 NA MeJP NA NA +MJ061835 Stigmast-4-ene-3,6-diol C29H50O2 430.38108 NA MeJP NA NA +MJ061836 Stigmast-5-ene-3,22-diol C29H50O2 430.38108 NA MeJP NA NA +MJ061837 Stigmast-5-ene-3,26-diol C29H50O2 430.38108 NA MeJP NA NA +MJ061838 Stigmast-5-ene-3,4-diol C29H50O2 430.38108 NA MeJP NA NA +MJ061839 Stigmast-5-ene-3,7-diol C29H50O2 430.38108 NA MeJP NA NA +MJ061840 Stigmast-5-ene-3,8-diol C29H50O2 430.38108 NA MeJP NA NA +MJ061841 Stigmast-6-ene-3,5-diol C29H50O2 430.38108 NA MeJP NA NA +MJ061842 Stigmast-7-ene-3,6-diol C29H50O2 430.38108 NA MeJP NA NA +MJ061843 mast-5-ene-3,7-diol C29H50O2 430.38108 NA MeJP NA NA +MJ061844 ?-Tocopherol C29H50O2 430.38108 NA MeJP NA NA +EUR108 Vitamin E C29H50O2 430.38108 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR108 Vitamin E C29H50O2 430.38108 Wishlist PFEM_hmdb_metabocards_official NA NA +MetaCyc03531 vitamin E [tocopherol;a-tocopherol;] C29H50O2 430.381081 NA metacyc NA NA +MetaCyc03532 α-tocopherol [] C29H50O2 430.381081 2074-53-5 metacyc NA NA +MetaCyc03533 (24R,24'R)-Fucosterol epoxide [] C29H50O2 430.381081 NA metacyc NA NA +MetaCyc03534 (22α)-hydroxy-sitosterol [22-OH-sitosterol;22-OH-SIT;] C29H50O2 430.381081 NA metacyc NA NA +EUR108 Vitamin E C29H50O2 430.3811 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR108 Vitamin E C29H50O2 430.3811 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR108 Vitamin E C29H50O2 430.3811 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR108 Vitamin E C29H50O2 430.3811 Wishlist Inhousejuil11 NA NA +C02477 alpha-Tocopherol C29H50O2 430.3811 NA KEGG NA NA +C02478 beta-D-Mannoside C6H11O6R 430.3811 NA KEGG NA NA +C04814 4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol C29H50O2 430.3811 NA KEGG NA NA +MJ061845 24-Propylidenecholest-5-en-3-ol, 5?,6,24?,28-Tetrahydro C30H54O 430.417466 NA MeJP NA NA +MJ061846 4,23-Dimethylergosta-7,22-dien-3-ol, 6,7,22,23?-Tetrahydro C30H54O 430.417466 NA MeJP NA NA +MJ061847 4-Methylstigmastan-3-ol C30H54O 430.417466 NA MeJP NA NA +MJ061848 1,22,24-Hentriacontatriene C31H58 430.453851 NA MeJP NA NA +8144 peptide derived from jumbo squid skin gelatin (Dosidicus gigas) FDSGPAGVL 430.70495 MH2+ Inhouse_peptide NA peptide +MJ061849 [(Diiodobenzoyl)amino]acetic acid C9H7I2NO3 430.851529 NA MeJP NA NA +MJ061850 Enolicam C17H12Cl3NO4S 430.955261 NA MeJP NA NA +MJ061851 2,2-Bis(6-bromo-3-indolyl)ethylamine C18H15Br2N3 430.963272 NA MeJP NA NA +C07759 Benzthiazide C15H14ClN3O4S3 430.9835 NA KEGG NA NA +C17945 Phosphonoformyl-CMP C10H15N3O12P2 431.0131 NA KEGG NA NA +MJ061852 1,1,1,15,15,15-Hexachloro-3,12-pentadecadiyn-8-amine, Dechloro, N-Ac C17H22Cl5NO 431.014402 NA MeJP NA NA +MJ061853 4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline C20H14ClNO8 431.040794 NA MeJP NA NA +C06626 4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline C20H14ClNO8 431.0408 NA KEGG NA NA +MJ061854 Clionamide C19H18BrN3O4 431.048068 NA MeJP NA NA +C17092 Clionamide C19H18BrN3O4 431.0481 NA KEGG NA NA +C10952 Rimsulfuron C14H17N5O7S2 431.0569 NA KEGG NA NA +MJ061855 Clofibric acid; Calcium salt (2:1) C20H20CaClO6 431.057432 NA MeJP NA NA +MJ061856 Ioflupane C18H23FINO2 431.07575 NA MeJP NA NA +MJ061857 4-Oxoheptyl glucosinolate C14H25NO10S2 431.091987 NA MeJP NA NA +MJ061858 5-Oxoheptyl glucosinolate C14H25NO10S2 431.091987 NA MeJP NA NA +MJ061859 Ochratoxin A; Et ester C22H22ClNO6 431.113565 NA MeJP NA NA +MJ061860 Zeatin, 9-?-D-Ribofuranosyl, 5''-phosphate C15H22N5O8P 431.120599 NA MeJP NA NA +MetaCyc03535 trans-zeatin riboside monophosphate [ZMP;tZRMP;] C15H22N5O8P1 431.120599 NA metacyc NA NA +MetaCyc03536 cis-zeatin riboside monophosphate [cZRMP;] C15H22N5O8P1 431.120599 NA metacyc NA NA +C16430 trans-Zeatin riboside monophosphate C15H22N5O8P 431.1206 NA KEGG NA NA +C16441 cis-Zeatin riboside monophosphate C15H22N5O8P 431.1206 NA KEGG NA NA +C16442 Asbestos C15H22N5O8P 431.1206 NA KEGG NA NA +MJ061861 Xylostosidine; S-Oxide (R-) C18H25NO9S 431.125002 NA MeJP NA NA +MJ061862 Xylostosidine; S-Oxide (S-) C18H25NO9S 431.125002 NA MeJP NA NA +C11742 SB 228357 C22H17F4N3O2 431.1257 NA KEGG NA NA +MJ061863 Tiodazosin C18H21N7O4S 431.137572 NA MeJP NA NA +PJ001330 CFY C21H25N3O5S 431.1515 NA PeJP NA NA +7950 synthetic peptide YYS 431.158 ACE inhibitor Inhouse_peptide NA peptide +7972 synthetic peptide YSY 431.158 antioxidative Inhouse_peptide NA peptide +7974 synthetic peptide SYY 431.158 antioxidative Inhouse_peptide NA peptide +MJ061864 6,7,14-Trihydroxy-8-drimen-12,11-olide, 14-(4-Nitrobenzoyl) C22H25NO8 431.158016 NA MeJP NA NA +MJ061865 6,7,14-Trihydroxy-8-drimen-12,11-olide, 6-(4-Nitrobenzoyl) C22H25NO8 431.158016 NA MeJP NA NA +MJ061866 6,9,14-Trihydroxy-7-drimen-12,11-olide, 6-(4-Nitrobenzoyl) C22H25NO8 431.158016 NA MeJP NA NA +MJ061867 Glycocitrine V C22H25NO8 431.158016 NA MeJP NA NA +MJ061868 Narceine; N-De-Me C22H25NO8 431.158016 NA MeJP NA NA +MJ061869 Pseurotins; Pseurotin A C22H25NO8 431.158016 NA MeJP NA NA +MJ061870 Pseurotins; Pseurotin D C22H25NO8 431.158016 NA MeJP NA NA +MJ061871 4-[[4-[4-(Aminoiminomethyl)phenyl]-2-thiazolyl](2-carboxyethyl)amino]-1-piperidineacetic acid C20H25N5O4S 431.162725 NA MeJP NA NA +MJ061872 Fotretamine C14H28N9OP3 431.162966 NA MeJP NA NA +PJ001331 SPND C16H25N5O9 431.1652 NA PeJP NA NA +PJ001332 GGSPD C16H25N5O9 431.1653 NA PeJP NA NA +PJ001333 SYY C21H25N3O7 431.1693 NA PeJP NA NA +MJ061873 Coyhaiquine; 1''-Aldehyde C26H25NO5 431.173272 NA MeJP NA NA +PJ001334 GNNQ C15H25N7O8 431.1765 NA PeJP NA NA +PJ001335 EHF C20H25N5O6 431.1805 NA PeJP NA NA +PJ001336 GPQM C17H29N5O6S 431.1839 NA PeJP NA NA +MJ061874 Glenvastatin C27H26FNO3 431.189671 NA MeJP NA NA +C11699 HR 780 C27H26FNO3 431.1897 NA KEGG NA NA +C14914 3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amine C23H36Cl3N 431.1913 NA KEGG NA NA +MJ061875 Aceropterine C23H29NO7 431.194402 NA MeJP NA NA +MJ061876 Fischerin C23H29NO7 431.194402 NA MeJP NA NA +MJ061877 Fusarin A; 17?-Hydroxy C23H29NO7 431.194402 NA MeJP NA NA +MJ061878 Fusarin C C23H29NO7 431.194402 NA MeJP NA NA +MJ061879 Fusarin F C23H29NO7 431.194402 NA MeJP NA NA +MJ061880 Higenamine, O6,N-Di-Me, O7-?-D-xylopyranoside C23H29NO7 431.194402 NA MeJP NA NA +MJ061881 Maistemonine; 8?-Hydroxy C23H29NO7 431.194402 NA MeJP NA NA +MJ061882 Sinococuline; N-Me, O6,O7-di-Ac C23H29NO7 431.194402 NA MeJP NA NA +PJ001337 GPCR C16H29N7O5S 431.1951 NA PeJP NA NA +MJ061883 [4-Ethyl-4-methyl-6-oxo-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-2-piperidinylidene]acetic acid C24H25N5O3 431.195739 NA MeJP NA NA +PJ001338 GVQE C17H29N5O8 431.2016 NA PeJP NA NA +8004 peptide derived from sardinelle by-products proteins (Sardinella aurita) LHY 431.205 antibacterial Inhouse_peptide NA peptide +MJ061884 Alternarolide III C22H29N3O6 431.205635 NA MeJP NA NA +8014 synthetic peptide LWN 431.2059 antibacterial Inhouse_peptide NA peptide +PJ001339 QER C16H29N7O7 431.2129 NA PeJP NA NA +MJ061885 Lexitropsins; Lexitropsin A C17H25N11O3 431.214183 NA MeJP NA NA +MJ061886 Lexitropsins; Lexitropsin B C17H25N11O3 431.214183 NA MeJP NA NA +PJ001340 VQW C21H29N5O5 431.2169 NA PeJP NA NA +8071 synthetic peptide RWA 431.217 antioxidative Inhouse_peptide NA peptide +PJ001341 GPKM C18H33N5O5S 431.2203 NA PeJP NA NA +MJ061887 Piscarinine A C26H29N3O3 431.220891 NA MeJP NA NA +PJ001342 ARW C20H29N7O4 431.2281 NA PeJP NA NA +MJ061888 Alkaloid GB11 C24H33NO6 431.230787 NA MeJP NA NA +MJ061889 Antibiotic F 1839A; 8'-Methoxy C24H33NO6 431.230787 NA MeJP NA NA +MJ061890 Hetisan-2,11,13,14-tetrol, O2-(2-Methylpropanoyl), N-oxide C24H33NO6 431.230787 NA MeJP NA NA +MJ061891 Myxopyronines; Myxopyronine B C24H33NO6 431.230787 NA MeJP NA NA +MJ061892 Nakijiquinone D; 25-Demethyl C24H33NO6 431.230787 NA MeJP NA NA +PJ001343 GVKE C18H33N5O7 431.238 NA PeJP NA NA +CJpos0791 Androsterone glucuronide [(M+H)-2(H2O)]+ (13C) C2413CH35O6 431.238375 C18rt(min)=8.7 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0791 Androsterone glucuronide [(M+H)-2(H2O)]+ (13C) C2413CH35O6 431.238375 C18rt(min)=8.7 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +MJ061893 Epostatin C23H33N3O5 431.242021 NA MeJP NA NA +MJ061894 2,5-Dibutyl-2,4-dihydro-4-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-3H-1,2,4-triazol-3-one C24H29N7O 431.243358 NA MeJP NA NA +PJ001344 KER C17H33N7O6 431.2493 NA PeJP NA NA +PJ001345 VKW C22H33N5O4 431.2533 NA PeJP NA NA +PJ001346 TRR C16H33N9O5 431.2605 NA PeJP NA NA +MJ061895 Aleicide C C25H37NO5 431.267173 NA MeJP NA NA +MJ061896 Caeruline C25H37NO5 431.267173 NA MeJP NA NA +MJ061897 Phomacin A C25H37NO5 431.267173 NA MeJP NA NA +MJ061898 Piericidin; Piericidin A1, 11',12'-Epoxide C25H37NO5 431.267173 NA MeJP NA NA +MJ061899 Istamycin C; N2''-Formyl C19H37N5O6 431.274383 NA MeJP NA NA +MJ061900 Mutamicin 2 C19H37N5O6 431.274383 NA MeJP NA NA +C17996 Istamycin C1 C19H37N5O6 431.2744 NA KEGG NA NA +PJ001347 ATLK C19H37N5O6 431.2744 NA PeJP NA NA +MJ061901 Crambescidin 431 C24H37N3O4 431.278406 NA MeJP NA NA +MJ061902 Proxiphomin C29H37NO2 431.282429 NA MeJP NA NA +MJ061903 2-Amino-3,4,5,14-tetrahydroxy-6-eicosenoic acid; 5-Ac C22H41NO7 431.288302 NA MeJP NA NA +MJ061904 2-Amino-3,4,5,14-tetrahydroxy-6-eicosenoic acid; N-Ac C22H41NO7 431.288302 NA MeJP NA NA +MJ061905 Fumifungin C22H41NO7 431.288302 NA MeJP NA NA +MJ061906 Octaphonium(1+); Chloride C27H42ClNO 431.295492 NA MeJP NA NA +MJ061907 2-Amino-3,4,5,14-tetrahydroxy-6-eicosenoic acid; N-(Aminoiminomethyl) C21H41N3O6 431.299536 NA MeJP NA NA +C10830 Peimine C27H45NO3 431.3399 NA KEGG NA NA +MJ061908 2-Aminobenzoic acid; N-Eicosanoyl C27H45NO3 431.339944 NA MeJP NA NA +MJ061909 3,5,6-Solanidanetriol C27H45NO3 431.339944 NA MeJP NA NA +MJ061910 3,6,14-Cevanetriol C27H45NO3 431.339944 NA MeJP NA NA +MJ061911 3,6,16-Cevanetriol C27H45NO3 431.339944 NA MeJP NA NA +MJ061912 3-Aminospirostan-6-ol C27H45NO3 431.339944 NA MeJP NA NA +MJ061913 3-Aminospirostan-9-ol C27H45NO3 431.339944 NA MeJP NA NA +MJ061914 3-Desamino-3-hydroxysolanocapsine C27H45NO3 431.339944 NA MeJP NA NA +MJ061915 Cevane-3,6,20-triol C27H45NO3 431.339944 NA MeJP NA NA +MJ061916 Edpetisinine C27H45NO3 431.339944 NA MeJP NA NA +MJ061917 Hakurirodine; 22R,28-Dihydro C27H45NO3 431.339944 NA MeJP NA NA +MJ061918 Hupehenidine C27H45NO3 431.339944 NA MeJP NA NA +MJ061919 Pimpinellidine C27H45NO3 431.339944 NA MeJP NA NA +MJ061920 Spirosolane-2,3-diol C27H45NO3 431.339944 NA MeJP NA NA +MJ061921 Spirosolane-3,15-diol C27H45NO3 431.339944 NA MeJP NA NA +MJ061922 Spirosolane-3,23-diol C27H45NO3 431.339944 NA MeJP NA NA +MJ061923 Vertaline B C27H45NO3 431.339944 NA MeJP NA NA +C01244 3,5-Diiodo-4-hydroxyphenylpyruvate C9H6I2O4 431.8355 NA KEGG NA NA +MetaCyc03537 diiodo-4-hydroxyphenylpyruvate [3-(3,5-diiodo-4-hydroxyphenyl)pyruvate;3,5-diiodo-4-hydroxyphenylpyruvate;β-(3,5-diiodo-4-hydroxyphenyl)pyruvate;] C9H6O4I2 431.835545 66-02-4 metacyc NA NA +C10960 Triforine C10H14Cl6N4O2 431.9248 NA KEGG NA NA +MJ061924 Lecideoidin; 4-Chloro C17H11Cl3O7 431.957035 NA MeJP NA NA +MJ061925 Amathaspiramide C C15H18Br2N2O3 431.968417 NA MeJP NA NA +MJ061926 Buellolide C18H15Cl3O6 431.993421 NA MeJP NA NA +MJ061927 Cardopatine C24H16S4 432.013483 NA MeJP NA NA +MJ061928 Rhopaladin A; 6-Deoxy C21H13BrN4O2 432.022188 NA MeJP NA NA +MJ061929 18,18-Dibromo-5,17-octadecadien-7-ynoic acid C18H26Br2O2 432.029955 NA MeJP NA NA +MJ061930 Clometocillin C17H18Cl2N2O5S 432.031347 NA MeJP NA NA +MJ061931 Rivulobirin B C23H12O9 432.048131 NA MeJP NA NA +MJ061932 Mollicellin A; 2-Chloro, 8-hydroxy C21H17ClO8 432.061195 NA MeJP NA NA +C05692 Se-Adenosyl-L-selenohomocysteine C14H20N6O5Se 432.066 NA KEGG NA NA +C05693 R C14H20N6O5Se 432.066 NA KEGG NA NA +C05694 CH3-R C14H20N6O5Se 432.066 NA KEGG NA NA +MJ061933 Se-Adenosylselenohomocysteine C14H20N6O5Se 432.066039 NA MeJP NA NA +HMDB11117 Se-Adenosylselenohomocysteine C14H20N6O5Se 432.06604 NA HMDB2010 NA NA +FL5FAANN0002 Kaempferol 3-p-coumarate C24H16O8 432.08451 41496-40-6 knapsack NA NA +MJ061934 Antibiotic G-2A C24H16O8 432.084517 NA MeJP NA NA +MJ061935 Basidifferquinone A C24H16O8 432.084517 NA MeJP NA NA +MJ061936 Bergapten dimer C24H16O8 432.084517 NA MeJP NA NA +MJ061937 7a-Hydroxy-o-carbamoyl-deacetylcephalosporin C C15H20N4O9S 432.095098 NA MeJP NA NA +C06569 7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C C15H20N4O9S 432.0951 NA KEGG NA NA +MJ061938 2,2'-(Dithiodicarbonothioyl)bis[N-(2-methoxyethyl)-1-cyclopenten-1-amine] C18H28N2O2S4 432.10336 NA MeJP NA NA +MJ061939 Brovincamine C21H25BrN2O3 432.104855 NA MeJP NA NA +C01460 Vitexin C21H20O10 432.1056 NA KEGG NA NA +C01461 Xaa-Arg C8H16N5O3R 432.1056 NA KEGG NA NA +C01462 Xaa-His C8H11N4O3R 432.1056 NA KEGG NA NA +C01463 Xaa-Lys C8H16N3O3R 432.1056 NA KEGG NA NA +C01714 Apigenin-6-C-glucoside C21H20O10 432.1056 NA KEGG NA NA +C01715 Kallikrein C21H20O10 432.1056 NA KEGG NA NA +C04608 Apigenin 7-O-beta-D-glucoside C21H20O10 432.1056 NA KEGG NA NA +C04609 Aerobacter aerogenes capsular polysaccharide C21H20O10 432.1056 NA KEGG NA NA +C09126 Genistein 7-O-beta-D-glucoside C21H20O10 432.1056 NA KEGG NA NA +C10345 Emodin 8-glucoside C21H20O10 432.1056 NA KEGG NA NA +C10420 Genistein 8-C-glucoside C21H20O10 432.1056 NA KEGG NA NA +C16911 Afzelin C21H20O10 432.1056 NA KEGG NA NA +FL1A1CGS0001 Sulfurein C21H20O10 432.10564 531-63-5 knapsack NA NA +FL1AACGS0003 Aureusidin 6-rhamnoside C21H20O10 432.10564 124925-02-6 knapsack NA NA +FL3F1CGS0001 7,3',4'-Trihydroxyflavone 7-glucoside C21H20O10 432.10564 24502-03-2 knapsack NA NA +FL3F1CGS0002 7,3',4'-Trihydroxyflavone 7-galactoside C21H20O10 432.10564 - knapsack NA NA +FL3F1GGS0001 7,3',4',5'-Tetrahydroxyflavone 7-rhamnoside C21H20O10 432.10564 98411-71-3 knapsack NA NA +FL3FA8GS0003 5,7,2'-Trihydroxy 7-glucoside C21H20O10 432.10564 - knapsack NA NA +FL3FAACS0001 Vitexin;8-D-Glucosyl-4',5,7-trihydroxyflavone;Apigenin 8-C-glucoside;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C21H20O10 432.10564 3681-93-4 knapsack NA NA +FL3FAACS0006 8-C-beta-D-Galactopyranosylapigenin C21H20O10 432.10564 35013-07-1 knapsack NA NA +FL3FAACS0008 6-C-beta-D-Galactosylapigenin C21H20O10 432.10564 70116-01-7 knapsack NA NA +FL3FAACS0043 Neovitexin C21H20O10 432.10564 29774-67-2 knapsack NA NA +FL3FAAGS0001 Apigenin 7-O-glucoside C21H20O10 432.10564 578-74-5 knapsack NA NA +FL3FAAGS0003 Isovitexin;6-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavone;Homovitexin;6-C-beta-D-Glucopyranosylapigenin;Saponaretin;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C21H20O10 432.10564 38953-85-4 knapsack NA NA +FL3FAAGS0004 Apigenin 5-glucoside C21H20O10 432.10564 28757-27-9 knapsack NA NA +FL3FAAGS0005 Apigenin 5-galactoside C21H20O10 432.10564 84268-41-7 knapsack NA NA +FL3FAAGS0008 Apigenin 7-galactoside C21H20O10 432.10564 23598-21-2 knapsack NA NA +FL3FAAGS0014 Apigenin 4'-glucoside C21H20O10 432.10564 20486-34-4 knapsack NA NA +FL3FACCS0006 6-C-Chinovopyranosylluteolin C21H20O10 432.10564 132368-05-9 knapsack NA NA +FL3FACCS0007 6-C-Fucopyranosylluteolin C21H20O10 432.10564 132368-06-0 knapsack NA NA +FL3FACCS0038 8-C-Rhamnopyranosylluteolin C21H20O10 432.10564 - knapsack NA NA +FL3FACGS0006 Luteolin 7-rhamnoside C21H20O10 432.10564 18016-54-1 knapsack NA NA +FL3FACGS0013 Luteolin 3'-rhamnoside C21H20O10 432.10564 99694-79-8 knapsack NA NA +FL3FADGS0002 Luteolin 3'-methyl ether 7-xyloside C21H20O10 432.10564 104759-65-1 knapsack NA NA +FL3FE9GS0002 Baicalein 6-glucoside C21H20O10 432.10564 28279-72-3 knapsack NA NA +FL3FEAGS0004 Scutellarein 7-rhamnoside C21H20O10 432.10564 24512-68-3 knapsack NA NA +FL3FF9GS0007 5,7,8-Trihydroxyflavone 5-glucoside C21H20O10 432.10564 151261-87-9 knapsack NA NA +FL3FF9GS0009 5,7,8-Trihydroxyflavone 7-galactoside C21H20O10 432.10564 - knapsack NA NA +FL5F1ACS0001 8-C-Glucosyl-5-deoxykaempferol;8-beta-D-Glucopyranosyl-3,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C21H20O10 432.10564 108351-24-2 knapsack NA NA +FL5F1AGL0001 Resokaempferol 3-glucoside C21H20O10 432.10564 - knapsack NA NA +FL5F1AGS0001 Resokaempferol 7-glucoside C21H20O10 432.10564 16290-10-1 knapsack NA NA +FL5F1AGS0002 Resokaempferol 4'-glucoside C21H20O10 432.10564 24502-04-3 knapsack NA NA +FL5FA9GL0001 Galanginin C21H20O10 432.10564 68592-14-3 knapsack NA NA +FL5FA9GS0002 Galangin 7-glucoside C21H20O10 432.10564 68592-13-2 knapsack NA NA +FL5FAAGS0005 Afzelin C21H20O10 432.10564 482-39-3 knapsack NA NA +FL5FAAGS0009 Kaempferol 5-rhamnoside C21H20O10 432.10564 51171-70-1 knapsack NA NA +FL5FAAGS0015 Kaempferol 7-rhamnoside C21H20O10 432.10564 20196-89-8 knapsack NA NA +FL5FAAGS0018 Kaempferol 4'-rhamnoside C21H20O10 432.10564 65063-32-3 knapsack NA NA +FL5FABGS0001 Kaempferide 3-alpha-L-arabinopyranoside C21H20O10 432.10564 123442-27-3 knapsack NA NA +FL5FGGNS0016 3'-Hydroxy-3,5,8,4',5'-pentamethoxy-6,7-methylenedioxyflavone C21H20O10 432.10564 82668-94-8 knapsack NA NA +FLIA1CCS0001 Pueraria glycoside 1 C21H20O10 432.10564 117060-54-5 knapsack NA NA +FLIA2AGS0001 Demethyltexasin 4'-O-glucoside; 6,7,4'-Trihydroxyisoflavone 4'-O-glucoside C21H20O10 432.10564 34307-23-8 knapsack NA NA +FLIAA8GS0001 Isogenistein 7-O-glucoside;5,7,2'-Trihydroxyisoflavone 7-O-glucoside C21H20O10 432.10564 70943-69-0 knapsack NA NA +FLIAAACS0002 Genistein 8-C-glucoside C21H20O10 432.10564 66026-80-0 knapsack NA NA +FLIAAAGS0001 Genistein 7-O-glucoside;Genistin;Genistoside C21H20O10 432.10564 529-59-9 knapsack NA NA +FLIAAAGS0003 Genistein 4'-O-glucoside;Sophoricoside C21H20O10 432.10564 152-95-4 knapsack NA NA +FLIAAAGS0009 Genistein 5-O-glucoside C21H20O10 432.10564 128508-06-5 knapsack NA NA +MJ061940 1,2,3-Trihydroxyanthraquinone; 1-Me ether, 3-O-?-D-glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061941 1,2,4,5-Tetrahydroxy-7-methylanthraquinone; 4-O-?-L-Rhamnopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061942 1,3,6-Trihydroxy-2-methylanthraquinone; 3-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061943 1,3,8-Trihydroxy-6-methylanthraquinone; 1-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061944 1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061945 1,3,8-Trihydroxy-6-methylanthraquinone; 8-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061946 1,3-Dihydroxy-2-hydroxymethylanthraquinone; 3-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061947 1,4,6-Trihydroxyxanthone; 6-O-(3-Hydroxy-1-propenyl), 4-O-?-D-xylopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061948 1,8-Dihydroxy-3-hydroxymethylanthraquinone; 1'-?-D-Glucoside C21H20O10 432.105646 NA MeJP NA NA +MJ061949 1,8-Dihydroxy-3-hydroxymethylanthraquinone; 8-?-D-Glucoside C21H20O10 432.105646 NA MeJP NA NA +MJ061950 2',5,7-Trihydroxyflavone; 2'-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061951 2',5,7-Trihydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061952 2',5,7-Trihydroxyisoflavone; 7-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061953 2,5-Dihydroxy-3-hydroxymethylanthraquinone; 2-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061954 3',4',5',7-Tetrahydroxyflavone; 7-O-?-L-Rhamnopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061955 3',4',5,7-Tetrahydroxyflavone; 3'-O-?-L-Rhamnopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061956 3',4',5,7-Tetrahydroxyflavone; 7-O-?-L-Rhamnopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061957 3',4',6-Trihydroxyaurone; 6-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061958 3',4',7-Trihydroxyflavone; 7-O-?-D-Galactopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061959 3',4',7-Trihydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061960 3',4,4',6-Tetrahydroxyaurone; 6-O-?-L-Rhamnopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061961 3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-?-D-Ribofuranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061962 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',5,5',8-Penta-Me, 6,7-methylene ether C21H20O10 432.105646 NA MeJP NA NA +MJ061963 3,3',5,5'-Tetraacetyl-2,2',4,4',6,6'-hexahydroxydiphenylmethane C21H20O10 432.105646 NA MeJP NA NA +MJ061964 3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Rhamnofuranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061965 3,4',5,7-Tetrahydroxyflavone; 4'-O-?-L-Rhamnopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061966 3,4',5,7-Tetrahydroxyflavone; 5-O-?-L-Rhamnopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061967 3,4',5,7-Tetrahydroxyflavone; 7-O-L-Rhamnofuranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061968 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-?-L-Arabinopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061969 3,4',7-Trihydroxyflavone; 3-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061970 3,4',7-Trihydroxyflavone; 4'-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061971 3,4',7-Trihydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061972 3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-L-Arabinopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061973 3,5,7-Trihydroxyflavone; 3-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061974 3,5,7-Trihydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061975 4',5,6,7-Tetrahydroxyflavone; 7-O-?-L-Rhamnopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061976 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-?-D-Xylopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061977 4',5,7-Trihydroxyflavone; 4'-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061978 4',5,7-Trihydroxyflavone; 5-O-?-D-Galactopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061979 4',5,7-Trihydroxyflavone; 5-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061980 4',5,7-Trihydroxyflavone; 7-O-?-D-Galactopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061981 4',5,7-Trihydroxyisoflavone; 4'-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061982 4',5,7-Trihydroxyisoflavone; 5-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061983 4',5,7-Trihydroxyisoflavone; 7-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061984 4',6,7-Trihydroxyisoflavone; 4'-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061985 5,6,7-Trihydroxyflavone; 6-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061986 5,6,7-Trihydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061987 5,7,8-Trihydroxyflavone; 5-O-?-D-Glucopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061988 5,7-Dihydroxyflavanone, 7-O-?-D-Glucuronopyranoside C21H20O10 432.105646 NA MeJP NA NA +MJ061989 5-Hydroxy-3,3',6,7,8-pentamethoxy-4',5'-methylenedioxyflavone C21H20O10 432.105646 NA MeJP NA NA +MJ061990 6-C-(6-Deoxyglucopyranosyl)-3',4',5,7-tetrahydroxyflavone C21H20O10 432.105646 NA MeJP NA NA +MJ061991 6-C-Fucopyranosyl-3',4',5,7-tetrahydroxyflavone C21H20O10 432.105646 NA MeJP NA NA +MJ061992 6-C-Galactopyranosyl-3',4',5,7-tetrahydroxyflavone; 6''-Deoxy C21H20O10 432.105646 NA MeJP NA NA +MJ061993 6-C-Galactopyranosyl-4',5,7-trihydroxyflavone C21H20O10 432.105646 NA MeJP NA NA +MJ061994 8-C-Glucopyranosyl-3,4',7-trihydroxyflavone C21H20O10 432.105646 NA MeJP NA NA +MJ061995 8-Galactopyranosyl-4',5,7-trihydroxyflavone C21H20O10 432.105646 NA MeJP NA NA +MJ061996 8-Glucopyranosyl-3',4',7-trihydroxyisoflavone C21H20O10 432.105646 NA MeJP NA NA +MJ061997 8-Glucopyranosyl-4',5,7-trihydroxyisoflavone C21H20O10 432.105646 NA MeJP NA NA +MJ061998 9,10-Dihydro-4,5-dihydroxy-10-oxo-2-anthracenecarboxylic acid; O-Glucoside C21H20O10 432.105646 NA MeJP NA NA +MJ061999 Afzelin C21H20O10 432.105646 NA MeJP NA NA +MJ062000 Cosmosiin C21H20O10 432.105646 NA MeJP NA NA +MJ062001 Isovitexin C21H20O10 432.105646 NA MeJP NA NA +MJ062002 Neoavroside C21H20O10 432.105646 NA MeJP NA NA +MJ062003 Neovitexin C21H20O10 432.105646 NA MeJP NA NA +MJ062004 Vitexin C21H20O10 432.105646 NA MeJP NA NA +MJ062005 ?-Rhamnoisorobin C21H20O10 432.105646 NA MeJP NA NA +MJ062006 3',4',5,7-Tetrahydroxyflavylium(1+); 5-O-?-D-Glucopyranoside C21H21O10(+) 432.105646 NA MeJP NA NA +MJ062007 3',4',5,7-Tetrahydroxyflavylium(1+); 7-O-?-D-Glucopyranoside C21H21O10(+) 432.105646 NA MeJP NA NA +MJ062008 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-Arabinoside C21H21O10(+) 432.105646 NA MeJP NA NA +MJ062009 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-L-Rhamnopyranoside C21H21O10(+) 432.105646 NA MeJP NA NA +MJ062010 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-Arabinoside C21H21O10(+) 432.105646 NA MeJP NA NA +MJ062011 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-?-D-Galactopyranoside C21H21O10(+) 432.105646 NA MeJP NA NA +MJ062012 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside C21H21O10(+) 432.105646 NA MeJP NA NA +MJ062013 3,4',5,7-Tetrahydroxyflavylium(1+); 4'-O-?-D-Glucopyranoside C21H21O10(+) 432.105646 NA MeJP NA NA +MJ062014 3,4',5,7-Tetrahydroxyflavylium(1+); 5-O-?-D-Galactopyranoside C21H21O10(+) 432.105646 NA MeJP NA NA +MJ062015 3,4',5,7-Tetrahydroxyflavylium(1+); 5-O-?-D-Glucopyranoside C21H21O10(+) 432.105646 NA MeJP NA NA +MJ062016 3,4',5,7-Tetrahydroxyflavylium(1+); 7-O-?-D-Glucopyranoside C21H21O10(+) 432.105646 NA MeJP NA NA +MJ062017 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone C21H20O10 432.105646 NA MeJP NA NA +MetaCyc03538 vitexin [apigenin 8-C-glucoside;] C21H20O10 432.105647 3681-93-4 metacyc NA NA +MetaCyc03539 isovitexin [apigenin-6-C-glucoside;saponaretin;] C21H20O10 432.105647 38953-85-4 metacyc NA NA +MetaCyc03540 kaempferol-3-rhamnoside [kaempferol-3-O-rhamnopyranoside;] C21H20O10 432.105647 NA metacyc NA NA +MetaCyc03541 sulfuretin 6-glucoside [] C21H20O10 432.105647 NA metacyc NA NA +MetaCyc03542 7-O-β-D-glucosyl-apigenin [cosmosin;7-O-β-D-glucosyl-5,7,4'-trihydroxyflavone;apigenin 7-O-β-D-glucoside;cosmosiin;] C21H20O10 432.105647 578-74-5 metacyc NA NA +MetaCyc03543 genistin [] C21H20O10 432.105647 NA metacyc NA NA +MJ062018 Penicillazine C20H20N2O9 432.11688 NA MeJP NA NA +FL2FABNN0001 Calomelanol G;3,4,7,8-Tetrahydro-5-hydroxy-4-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione C25H20O7 432.1209 143228-44-8 knapsack NA NA +MJ062019 Calomelanol E; 4'-Me ether C25H20O7 432.120902 NA MeJP NA NA +PJ001348 ACCH C15H24N6O5S2 432.125 NA PeJP NA NA +MJ062020 3-Hydroxy-2-methyl-4H-pyran-4-one; O-[4-Carboxy-3-hydroxy-3-methylbutanoyl-(?6)-?-D-glucopyranoside] C18H24O12 432.126776 NA MeJP NA NA +MJ062021 4-Hydroxybenzoic acid; [?-D-Apiofuranosyl-(1?6)-?-D-glucopyranosyl] ester C18H24O12 432.126776 NA MeJP NA NA +MJ062022 Forsythide; 6-Oxo, di-Me ester C18H24O12 432.126776 NA MeJP NA NA +MJ062023 Scandoside; 6-Epimer, 10-Ac C18H24O12 432.126776 NA MeJP NA NA +MJ062024 5,5a,12,12a-Tetrahydro-7,14-dimethoxybenzo[1'',2'':4,5;4'',5'':4',5']difuro[2,3-b:2',3'-b']diindole-7b,14b-diol C24H20N2O6 432.132136 NA MeJP NA NA +MJ062025 Chaetoviridin A C23H25ClO6 432.133966 NA MeJP NA NA +7648 ACE inhibitor from ovalbumin FCF 432.136 antioxidative Inhouse_peptide NA peptide +MJ062026 7-[3-(1-Aminoethyl)-1-pyrrolidinyl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid C21H19F3N4O3 432.140925 NA MeJP NA NA +C14942 2-(2,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4- C22H24O9 432.142 NA KEGG NA NA +C14953 2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4- C22H24O9 432.142 NA KEGG NA NA +C16223 (-)-Medicocarpin C22H24O9 432.142 NA KEGG NA NA +FL1CELNS0005 2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone C22H24O9 432.14203 121697-06-1 knapsack NA NA +FL2FA9GM0001 Strobopinin 7-galactoside C22H24O9 432.14203 129601-82-7 knapsack NA NA +FL2FA9GM0002 Strobopinin 7-glucoside C22H24O9 432.14203 107140-40-9 knapsack NA NA +FL2FA9GS0008 Pinostrobin 5-O-glucoside C22H24O9 432.14203 115799-14-9 knapsack NA NA +FL2FABGS0007 Isosakuranetin 7-O-rhamnoside C22H24O9 432.14203 65615-47-6 knapsack NA NA +FL3FELNS0006 Agehoustin B C22H24O9 432.14203 87402-97-9 knapsack NA NA +FL3FGGNS0008 5,6,7,8,3',4',5'-Heptamethoxyflavone C22H24O9 432.14203 6965-36-2 knapsack NA NA +FL3FGLNS0005 Agecorynin C C22H24O9 432.14203 70460-31-0 knapsack NA NA +FL5FEGNS0017 3,5,6,7,3',4',5'-Heptamethoxyflavone;3,5,6,7-Tetramethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C22H24O9 432.14203 17245-30-6 knapsack NA NA +FL5FELNS0017 Benthamitin C22H24O9 432.14203 34318-24-6 knapsack NA NA +FL5FFGNS0007 Hibiscetin heptamethyl ether C22H24O9 432.14203 21634-52-6 knapsack NA NA +FL5FGCNS0019 3,5,6,7,8,3',4'-Heptamethoxyflavone;2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-4H-1-benzopyran-4-one C22H24O9 432.14203 1178-24-1 knapsack NA NA +FL6F1CGS0001 7-Hydroxy-3',4'-methylenedioxyflavan 7-O-beta-D-glucopyranoside C22H24O9 432.14203 - knapsack NA NA +FLIB1AGS0001 Dihydroformononetin 7-O-glucoside;2,3-Dihydro-ononin C22H24O9 432.14203 66918-17-0 knapsack NA NA +FLID1AGS0001 Medicarpin 3-O-glucoside C22H24O9 432.14203 52766-70-8 knapsack NA NA +MJ062027 1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(4-Hydroxy-3-methyl-2-butenoyl)(E-), 13-Ac C22H24O9 432.142032 NA MeJP NA NA +MJ062028 1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(4-Hydroxy-3-methyl-2-butenoyl)(Z-), 13-Ac C22H24O9 432.142032 NA MeJP NA NA +MJ062029 2',3',4',5,5',6,7-Heptahydroxyflavone; Hepta-Me ether C22H24O9 432.142032 NA MeJP NA NA +MJ062030 2',3,3',4',5,6,7-Heptahydroxyflavone; Hepta-Me ether C22H24O9 432.142032 NA MeJP NA NA +MJ062031 2',3,4',5,5',6,7-Heptahydroxyflavone; Hepta-Me ether C22H24O9 432.142032 NA MeJP NA NA +MJ062032 2',4',5,5',6,7,8-Heptahydroxyflavone; Hepta-Me ether C22H24O9 432.142032 NA MeJP NA NA +MJ062033 2,2',3,3',4,4',5,6'-Octahydroxychalcone; 2,2',3,4,5,6'-Hexa-Me, 3',4'-methylene ether C22H24O9 432.142032 NA MeJP NA NA +MJ062034 2,3,4,7-Phenanthrenetetrol; 2,4-Di-Me ether, 3-O-?-D-glucopyranoside C22H24O9 432.142032 NA MeJP NA NA +MJ062035 2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 14-Aldehyde, 8-angeloyl, 13-Ac C22H24O9 432.142032 NA MeJP NA NA +MJ062036 3',4',5,5',6,7,8-Heptahydroxyflavone; Hepta-Me ether C22H24O9 432.142032 NA MeJP NA NA +MJ062037 3',4',7-Trihydroxyflavan, 3',4'-Methylene ether, 7-O-?-D-glucopyranoside C22H24O9 432.142032 NA MeJP NA NA +MJ062038 3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2E-butenoyl) C22H24O9 432.142032 NA MeJP NA NA +MJ062039 3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 11?,13-Epoxide, 8-(5-acetoxy-2-methyl-2-butenoyl)(E-) C22H24O9 432.142032 NA MeJP NA NA +MJ062040 3,3',4',5,5',6,7-Heptahydroxyflavone; Hepta-Me ether C22H24O9 432.142032 NA MeJP NA NA +MJ062041 3,3',4',5,5',7,8-Heptahydroxyflavone; Hepta-Me ether C22H24O9 432.142032 NA MeJP NA NA +MJ062042 3,3',4',5,6,7,8-Heptahydroxyflavone; Hepta-Me ether C22H24O9 432.142032 NA MeJP NA NA +MJ062043 3,4-Dihydroxybenzyl alcohol; 4-O-(6-O-E-Cinnamoyl-?-D-allopyranoside) C22H24O9 432.142032 NA MeJP NA NA +MJ062044 3,4-Epoxy-2,5,8,9-tetrahydroxy-1(10),11(13)-guaiadien-12,6-olide, 2-Ketone, 9-angeloyl, 8-Ac C22H24O9 432.142032 NA MeJP NA NA +MJ062045 3,4-Epoxy-8,9-dihydroxy-2-oxo-1(10),11(13)-guaiadien-12,6-olide, 8-(2-Acetoxymethyl-2E-butenoyl) C22H24O9 432.142032 NA MeJP NA NA +MJ062046 3,9-Dihydroxypterocarpan, 3-Me ether, 9-O-?-D-glucopyranoside C22H24O9 432.142032 NA MeJP NA NA +MJ062047 3-Hydroxy-9-methoxypterocarpan, O-?-D-Glucopyranoside C22H24O9 432.142032 NA MeJP NA NA +MJ062048 4',5-Dihydroxy-7-methoxyflavanone, 4'-O-?-L-Rhamnopyranoside C22H24O9 432.142032 NA MeJP NA NA +MJ062049 4',7-Dihydroxyisoflavanone, 4'-Me ether, 7-O-?-D-glucopyranoside C22H24O9 432.142032 NA MeJP NA NA +MJ062050 4,18:15,16-Diepoxy-7,19-dihydroxy-3,6-dioxo-13(16),14-clerodadien-20,12-olide, 19-Ac C22H24O9 432.142032 NA MeJP NA NA +MJ062051 5,7-Dihydroxy-4'-methoxyflavanone, 7-O-?-L-Rhamnopyranoside C22H24O9 432.142032 NA MeJP NA NA +MJ062052 5,7-Dihydroxy-6-methylflavanone, 7-O-?-D-Galactopyranoside C22H24O9 432.142032 NA MeJP NA NA +MJ062053 5,7-Dihydroxy-6-methylflavanone, 7-O-?-D-Glucopyranoside C22H24O9 432.142032 NA MeJP NA NA +MJ062054 5,7-Dihydroxy-6-methylflavanone, 7-O-?-D-Galactopyranoside C22H24O9 432.142032 NA MeJP NA NA +MJ062055 5,7-Dihydroxyflavanone, 7-Me ether, 5-O-?-D-glucopyranoside C22H24O9 432.142032 NA MeJP NA NA +MJ062056 5,8,9-Trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-(2,3-Epoxy-2-methylbutanoyl), 8-Ac C22H24O9 432.142032 NA MeJP NA NA +MJ062057 8,9-Dihydroxy-2-oxo-3,10(14),11(13)-guaiatrien-12,6-olide, 3?,4?-Epoxide, 8-(2-acetoxymethyl-2E-butenoyl) C22H24O9 432.142032 NA MeJP NA NA +MJ062058 Homonataloin A C22H24O9 432.142032 NA MeJP NA NA +MJ062059 Podophyllic acid C22H24O9 432.142032 NA MeJP NA NA +MJ062060 Salicin; 6'-O-(4-Hydroxycinnamoyl) C22H24O9 432.142032 NA MeJP NA NA +MJ062061 Salvilanguiduline A; 2?-Hydroxy C22H24O9 432.142032 NA MeJP NA NA +MJ062062 Salvilanguiduline A; 6?-Hydroxy C22H24O9 432.142032 NA MeJP NA NA +MJ062063 Salvilanguiduline A; 8?-Hydroxy C22H24O9 432.142032 NA MeJP NA NA +MJ062064 Teubrevin A; 8?-Hydroxy C22H24O9 432.142032 NA MeJP NA NA +MJ062065 Teubrevin I C22H24O9 432.142032 NA MeJP NA NA +MJ062066 Thomasic acid C22H24O9 432.142032 NA MeJP NA NA +MJ062067 upestalin B C22H24O9 432.142032 NA MeJP NA NA +MetaCyc03544 (-)-medicarpin-3-O-glucoside [] C22H24O9 432.142032 NA metacyc NA NA +PJ001349 SSCH C15H24N6O7S 432.1427 NA PeJP NA NA +MJ062068 4-[5'-(Hydroxymethyl)[2,2'-bithiophen-5-yl]]-3-butyn-1-ol; Bis(3-methylbutanoyl) C23H28O4S2 432.1429 NA MeJP NA NA +PJ001350 SPDD C16H24N4O10 432.1493 NA PeJP NA NA +FL3FRNNP0009 Artocommunol CA;(+)-6-Hydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one C26H24O6 432.15728 502627-53-4 knapsack NA NA +PJ001351 GNNE C15H24N6O9 432.1605 NA PeJP NA NA +MJ062069 2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C19H28O11 432.163161 NA MeJP NA NA +MJ062070 2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C19H28O11 432.163161 NA MeJP NA NA +MJ062071 2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C19H28O11 432.163161 NA MeJP NA NA +MJ062072 2-O-?-D-Glucopyranosyl-D-glucose; ?-Pyranose-form, Benzyl glycoside C19H28O11 432.163161 NA MeJP NA NA +MJ062073 4-Methyl-1,2-benzenediol; 2-Me ether, 1-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C19H28O11 432.163161 NA MeJP NA NA +MJ062074 6-O-?-D-Galactopyranosyl-D-mannose; Pyranose-form, Benzyl glycoside C19H28O11 432.163161 NA MeJP NA NA +MJ062075 Benzyl alcohol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C19H28O11 432.163161 NA MeJP NA NA +MJ062076 Secologanol; 7-Ac C19H28O11 432.163161 NA MeJP NA NA +C17564 Zizybeoside I C19H28O11 432.1632 NA KEGG NA NA +MJ062077 Purvalanol B C20H25ClN6O3 432.167666 NA MeJP NA NA +PJ001352 GPEM C17H28N4O7S 432.1679 NA PeJP NA NA +MJ062078 Chelelactam C25H24N2O5 432.168521 NA MeJP NA NA +MJ062079 5-Hydroxy-6-protoilluden-14-al, O-(3-Chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) C24H29ClO5 432.170351 NA MeJP NA NA +MJ062080 1,4-Diamino-1,4-dideoxyglucitol, Hexa-Ac C18H28N2O10 432.174395 NA MeJP NA NA +PJ001353 NNW C19H24N6O6 432.1757 NA PeJP NA NA +PJ001354 GGNW C19H24N6O6 432.1758 NA PeJP NA NA +MJ062081 1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 1,3-di-Ac C23H28O8 432.178417 NA MeJP NA NA +MJ062082 10-Hydroxy-3,15,17-sphenolobatrien-12,13-olide-11,19-dioic acid, Ac, 11-Me ester C23H28O8 432.178417 NA MeJP NA NA +MJ062083 15,16-Epoxy-2-hydroxy-1-oxo-13(16),14-clerodadien-17,12-olid-18-oic acid, 2-Ac, Me ester C23H28O8 432.178417 NA MeJP NA NA +MJ062084 2,8,13-Trihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 2,13-di-Ac C23H28O8 432.178417 NA MeJP NA NA +MJ062085 2-[2-(3,4-Dihydroxyphenyl)ethyl]tetrahydro-6-(3,4,5-trihydroxyphenyl)-2H-pyran-4-ol, 3',3''-Di-Me ether, 4-Ac C23H28O8 432.178417 NA MeJP NA NA +MJ062086 3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,4-Methylene, 3',4',5,5'-tetra-Me ether C23H28O8 432.178417 NA MeJP NA NA +MJ062087 3,4:15,16-Diepoxy-6-hydroxy-13(16),14-clerodadien-20,12-olid-18-oic acid, 6-Ac, Me ester C23H28O8 432.178417 NA MeJP NA NA +MJ062088 3,6-Epoxy-11,12-dihydroxy-3,5,7,15-cembratetraen-20,10-olid-18-oic acid, 11-Ac, Me ester C23H28O8 432.178417 NA MeJP NA NA +MJ062089 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2,5-Dihydro-5S-methoxy-3-furancarbonyl), 3-Ac C23H28O8 432.178417 NA MeJP NA NA +MJ062090 7-Protoilludene-1,5,6,9,14-pentol, 14-Aldehyde, 5-(2,4-dihydroxy-6-methylbenzoyl) C23H28O8 432.178417 NA MeJP NA NA +MJ062091 8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8,9-Bis(2-methylpropenoyl) C23H28O8 432.178417 NA MeJP NA NA +MJ062092 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-Angeloyl, 9-Ac, Me ester C23H28O8 432.178417 NA MeJP NA NA +MJ062093 9,10-Dihydro-4-(hydroxymethyl)-1,8-dimethyl-2,7-phenanthrenediol; 1' or 2-O-?-D-Glucopyranoside C23H28O8 432.178417 NA MeJP NA NA +MJ062094 9,10-Dihydro-4-(hydroxymethyl)-1,8-dimethyl-2,7-phenanthrenediol; 1' or 7-O-?-D-Glucopyranoside C23H28O8 432.178417 NA MeJP NA NA +MJ062095 9,10-Dihydro-4-(hydroxymethyl)-1,8-dimethyl-2,7-phenanthrenediol; 2 or 7-O-?-D-Glucopyranoside C23H28O8 432.178417 NA MeJP NA NA +MJ062096 9-Hydroxy-3,3',4,4',5-pentamethoxy-7,9'-epoxylignan-7'-one C23H28O8 432.178417 NA MeJP NA NA +MJ062097 Abbreviatins; Abbreviatin BB C23H28O8 432.178417 NA MeJP NA NA +MJ062098 Congrayanic acid C23H28O8 432.178417 NA MeJP NA NA +MJ062099 Isoaspidins; Isoaspidin AB C23H28O8 432.178417 NA MeJP NA NA +MJ062100 Methylenebisdesaspidinol BB C23H28O8 432.178417 NA MeJP NA NA +MJ062101 Phloraspidinol; O6-De-Me C23H28O8 432.178417 NA MeJP NA NA +MJ062102 Polemannone; 4,5-Dimethoxy, 4',5'-(methylenedioxy) C23H28O8 432.178417 NA MeJP NA NA +MJ062103 Ramalinolic acid C23H28O8 432.178417 NA MeJP NA NA +MJ062104 Sekikaic acid; 2-Me ether C23H28O8 432.178417 NA MeJP NA NA +MJ062105 Yangambin; 7-Epimer, 4'-O-de-Me C23H28O8 432.178417 NA MeJP NA NA +PJ001355 PMW C21H28N4O4S 432.1831 NA PeJP NA NA +PJ001356 SPTE C17H28N4O9 432.1856 NA PeJP NA NA +PJ001357 GVEE C17H28N4O9 432.1857 NA PeJP NA NA +MJ062106 Vofopitant C21H23F3N6O 432.188544 NA MeJP NA NA +8006 synthetic peptide LWD 432.1899 antibacterial Inhouse_peptide NA peptide +MJ062107 Achlisocoumarin II C27H28O5 432.193674 NA MeJP NA NA +MJ062108 Aspulvinone A C27H28O5 432.193674 NA MeJP NA NA +MJ062109 Aspulvinone B C27H28O5 432.193674 NA MeJP NA NA +MJ062110 Aspulvinone H C27H28O5 432.193674 NA MeJP NA NA +MJ062111 Sinensol E C27H28O5 432.193674 NA MeJP NA NA +MetaCyc03545 aspulvinone-h [] C27H28O5 432.193674 57744-69-1 metacyc NA NA +C02008 Aspulvinone H C27H28O5 432.1937 NA KEGG NA NA +MJ062112 Fluprednidene; 21-Ac C24H29FO6 432.194816 NA MeJP NA NA +MJ062113 Triamcinolone; 16,17-Prop-2-enal acetal C24H29FO6 432.194816 NA MeJP NA NA +PJ001358 EER C16H28N6O8 432.1969 NA PeJP NA NA +MJ062114 Furanoeremophilane-3,6-diol, 6-O-Angeloyl, 3-(3-methylthio-2Z-propenoyl) C24H32O5S 432.197044 NA MeJP NA NA +PJ001359 VEW C21H28N4O6 432.2009 NA PeJP NA NA +PJ001360 SPVM C18H32N4O6S 432.2043 NA PeJP NA NA +MJ062115 Mizolastine C24H25FN6O 432.207387 NA MeJP NA NA +PJ001361 GSNR C15H28N8O7 432.2081 NA PeJP NA NA +MJ062116 Lexitropsins; Lexitropsin AB C16H24N12O3 432.209432 NA MeJP NA NA +MJ062117 11-[4-(Methylthio)phenyl]spiro[estra-4,9-diene-17,2'(5'H)-furan]-3-one C28H32O2S 432.2123 NA MeJP NA NA +C09111 Inflexin C24H32O7 432.2148 NA KEGG NA NA +C10622 Grandisin C24H32O7 432.2148 NA KEGG NA NA +C10657 Magnosalicin C24H32O7 432.2148 NA KEGG NA NA +C17064 Schizandrin C24H32O7 432.2148 NA KEGG NA NA +MJ062118 1,2,5-Trihydroxy-11,13(15)-cassadien-16,12-olide, 1,2-Di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062119 1,2,6-Trihydroxyfuranoeremophilan-9-one, 1-(3-Methyl-2-butenoyl), 6-(methylpropanoyl) C24H32O7 432.214803 NA MeJP NA NA +MJ062120 1,20-Diacetoxy-6,7-epoxy-1,3(20),10,14-phytatetraen-19,5-olide C24H32O7 432.214803 NA MeJP NA NA +MJ062121 1,3,11-Trihydroxy-16-kaurene-6,15-dione, 1,3-Di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062122 1,3,5,14-Tetrahydroxy-19-oxobufa-20,22-dienolide C24H32O7 432.214803 NA MeJP NA NA +MJ062123 1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 3-(2-methylbutanoyl) C24H32O7 432.214803 NA MeJP NA NA +MJ062124 1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 3-(3-methylbutanoyl) C24H32O7 432.214803 NA MeJP NA NA +MJ062125 1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 1-Benzoyl, 9-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062126 1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 9-Benzoyl, 8-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062127 13(16),14-Spongiadiene-2,3,17,19-tetrol, 2-Ketone, 17,19-di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062128 13(16),14-Spongiadiene-2,3,17,19-tetrol, 2-Ketone, 3,19-di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062129 13(16),14-Spongiadiene-2,3,17,19-tetrol; 3?-form, 2-Ketone, 3,19-di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062130 14(17)-Vouacapene-1,5,6,7-tetrol, 1,7-Di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062131 14,15-Epoxy-3,5,11,19-tetrahydroxybufa-20,22-dienolide C24H32O7 432.214803 NA MeJP NA NA +MJ062132 14,15-Epoxy-3,5,16,19-tetrahydroxybufa-20,22-dienolide C24H32O7 432.214803 NA MeJP NA NA +MJ062133 14,15-Epoxy-4-isocedrene-3,14,15-triol, 3-Angeloyl, 14,15-di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062134 16-Kaurene-1,3,6,11,15-pentol, 6,15-Diketone, 1,3-di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062135 16-Kaurene-3,6,7,11,15-pentol, 6,15-Diketone, 3,7-di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062136 16-Kaurene-3,6,7,11,15-pentol, 6,15-Diketone, 7,11-di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062137 17,18-Epoxy-6,14,18-trihydroxy-1(19),7,10(17),12-xenicatetraen-11-one, 6,18-Di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062138 2,3,6,11-Tetrahydroxy-16-kauren-15-one, 6-Ketone, 2,3-di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062139 2,7,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 2,14-Di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062140 3,3',4,4',5,5'-Hexahydroxy-7,7'-epoxylignan, Hexa-Me ether C24H32O7 432.214803 NA MeJP NA NA +MJ062141 3,3',4,4',5,5'-Hexahydroxy-9,9'-epoxylignan, Hexa-Me ether C24H32O7 432.214803 NA MeJP NA NA +MJ062142 3,3',4,4',5,9,9'-Heptahydroxylignan, 3,4-Methylene, 3',4',5,9,9'-penta-Me ether C24H32O7 432.214803 NA MeJP NA NA +MJ062143 3,4-Epoxy-10,14-dihydroxy-7,11,15(17)-cembratrien-16,2-olide, Di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062144 3,5,11,14-Tetrahydroxy-12-oxobufa-20,22-dienolide C24H32O7 432.214803 NA MeJP NA NA +MJ062145 3,5,12,14-Tetrahydroxy-11-oxobufa-20,22-dienolide C24H32O7 432.214803 NA MeJP NA NA +MJ062146 7,11-Dihydroxy-16-oxo-12-spongien-17-al, Di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062147 7,12-Dihydroxy-8,12-abietadiene-11,14-dione; 7?-form, 16-Acetoxy, 12-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062148 7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 1-Ketone, 6,15-di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062149 7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 15-Ketone, 1,6-di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062150 7-Protoilludene-1,5,6,14-tetrol, 5-(2-Hydroxy-4-methoxy-6-methylbenzoyl) C24H32O7 432.214803 NA MeJP NA NA +MJ062151 7-Protoilludene-5,6,13,14-tetrol, 5-(2-Hydroxy-4-methoxy-6-methylbenzoyl) C24H32O7 432.214803 NA MeJP NA NA +MJ062152 9,10-Epoxy-p-mentha-1,3,5-triene-3,7,8-triol; 3-Angeloyl, 7-(2-methylbutanoyl), 8-(methylpropanoyl) C24H32O7 432.214803 NA MeJP NA NA +MJ062153 9,11-Epoxy-1,2,6-trihydroxy-15-kauranone, 16,17-Didehydro, 1,2-di-Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062154 Atranone F C24H32O7 432.214803 NA MeJP NA NA +MJ062155 Branacenal C24H32O7 432.214803 NA MeJP NA NA +MJ062156 Chrolactomycin C24H32O7 432.214803 NA MeJP NA NA +MJ062157 Etiproston C24H32O7 432.214803 NA MeJP NA NA +MJ062158 Furcellataepoxylactone C24H32O7 432.214803 NA MeJP NA NA +MJ062159 Gelomulide C; 3?-Alcohol, 3-Ac, 6?-acetoxy C24H32O7 432.214803 NA MeJP NA NA +MJ062160 Heterotropanone C24H32O7 432.214803 NA MeJP NA NA +MJ062161 Isoschizandrin C24H32O7 432.214803 NA MeJP NA NA +MJ062162 Jaspiferoic acid B C24H32O7 432.214803 NA MeJP NA NA +MJ062163 Magnosalicin C24H32O7 432.214803 NA MeJP NA NA +MJ062164 Megaphone; Ac C24H32O7 432.214803 NA MeJP NA NA +MJ062165 Oligosporol A; 1-Ketone, 10'?,11'?-epoxide C24H32O7 432.214803 NA MeJP NA NA +MJ062166 Oligosporol A; 12'-Hydroxy, 1-ketone C24H32O7 432.214803 NA MeJP NA NA +MJ062167 Schizandrin C24H32O7 432.214803 NA MeJP NA NA +MJ062168 Shikoccin; 1?-Acetoxy C24H32O7 432.214803 NA MeJP NA NA +PJ001362 ATLE C18H32N4O8 432.222 NA PeJP NA NA +7499 ACE inhibitor (from bovine as1-CN) FVAP 432.225 antioxidative Inhouse_peptide NA peptide +MJ062169 Enciprazine C23H32N2O6 432.226036 NA MeJP NA NA +MJ062170 Agerasanin C28H32O4 432.230059 NA MeJP NA NA +MJ062171 Machuone C28H32O4 432.230059 NA MeJP NA NA +MJ062172 Usambarensine C29H28N4 432.231396 NA MeJP NA NA +C09249 Usambarensine C29H28N4 432.2314 NA KEGG NA NA +C07777 Buclizine C28H33ClN2 432.2332 NA KEGG NA NA +MJ062173 Buclizine C28H33ClN2 432.233226 NA MeJP NA NA +PJ001363 GTQK C17H32N6O7 432.2333 NA PeJP NA NA +MJ062174 10,11-Epoxy-2,7,12-guaianetriol, 2-O-?-D-Glucopyranoside C21H36O9 432.235932 NA MeJP NA NA +MJ062175 10,11-Epoxy-2,7,8-guaianetriol, 2-O-?-D-Glucopyranoside C21H36O9 432.235932 NA MeJP NA NA +MJ062176 11-Eudesmene-3,4,7,8-tetrol, 3-O-?-D-Glucopyranoside C21H36O9 432.235932 NA MeJP NA NA +MJ062177 3,4,11-Trihydroxy-8-eudesmanone, 4-O-?-D-Glucopyranoside C21H36O9 432.235932 NA MeJP NA NA +MJ062178 3-Eudesmene-1,6,11,14-tetrol, 6-O-?-D-Glucopyranoside C21H36O9 432.235932 NA MeJP NA NA +MJ062179 4(15)-Eudesmene-1,6,11,14-tetrol, 6-O-?-D-Glucopyranoside C21H36O9 432.235932 NA MeJP NA NA +MJ062180 4,14-Epoxy-1,6,11-eudesmanetriol, 6-O-?-D-Glucopyranoside C21H36O9 432.235932 NA MeJP NA NA +MJ062181 Citriodorin C21H36O9 432.235932 NA MeJP NA NA +MJ062182 osumin C22H32N4O5 432.23727 NA MeJP NA NA +PJ001364 GPLF C22H32N4O5 432.2373 NA PeJP NA NA +PJ001365 GLLM C19H36N4O5S 432.2407 NA PeJP NA NA +MJ062183 Tamolarizine C27H32N2O3 432.241292 NA MeJP NA NA +MJ062184 1,9-Heptadecadiene-11,13-diyn-8-ol, 8-(2-O-Acetyl-L-rhamnoside) C25H36O6 432.251188 NA MeJP NA NA +MJ062185 11,12-Epoxy-7-drimene-2,3,11-triol, 2,3-Diangeloyl C25H36O6 432.251188 NA MeJP NA NA +MJ062186 11,12-Epoxy-7-drimene-2,3,11-triol, 2,3-Ditigloyl C25H36O6 432.251188 NA MeJP NA NA +MJ062187 11,17,21-Trihydroxypregn-4-ene-3,20-dione, 17-Butanoyl C25H36O6 432.251188 NA MeJP NA NA +MJ062188 14-Hydroxy-3,5(10),11-cyathatrien-15-al; 14?-form, 14-O-?-D-Xylopyranoside C25H36O6 432.251188 NA MeJP NA NA +MJ062189 16,17-Epoxy-9,12-dihydroxy-18-kauranoic acid, 12-Angeloyl C25H36O6 432.251188 NA MeJP NA NA +MJ062190 2,3,18-Trihydroxy-8(17),13-labdadien-15,16-olide, 3-Angeloyl C25H36O6 432.251188 NA MeJP NA NA +MJ062191 2,4,6-Trihydroxy-8-daucen-10-one, 2,6-Diangeloyl C25H36O6 432.251188 NA MeJP NA NA +MJ062192 2-Hydroxy-8,12-dioxo-4,11(13)-bulgaradien-15-oic acid; 2-Decanoyl C25H36O6 432.251188 NA MeJP NA NA +MJ062193 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac C25H36O6 432.251188 NA MeJP NA NA +MJ062194 3,5,14-Trihydroxycard-20(22)-enolide, 3-Ac C25H36O6 432.251188 NA MeJP NA NA +MJ062195 3,9,15-Trihydroxy-16-kauren-19-oic acid, 15-(3-Methyl-2-butenoyl) C25H36O6 432.251188 NA MeJP NA NA +MJ062196 3,9,15-Trihydroxy-16-kauren-19-oic acid, 15-Angeloyl C25H36O6 432.251188 NA MeJP NA NA +MJ062197 3,9,15-Trihydroxy-16-kauren-19-oic acid, 15-Tigloyl C25H36O6 432.251188 NA MeJP NA NA +MJ062198 4,18-Epoxy-6,19-dihydroxy-13-cleroden-15,16-olide, 19-Tigloyl C25H36O6 432.251188 NA MeJP NA NA +MJ062199 6-Hydroxy-7,13-labdadien-16,15-olid-17-oic acid; 6?-form, 2-Methylbutanoyl C25H36O6 432.251188 NA MeJP NA NA +MJ062200 7,14-Dihydroxy-8,15-isopimaradien-18-oic acid, Di-Ac, Me ester C25H36O6 432.251188 NA MeJP NA NA +MJ062201 8,10,12,14-Epiamphilectatetraene-9,10-diol, 10-O-?-D-Arabinopyranoside C25H36O6 432.251188 NA MeJP NA NA +MJ062202 8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-?-D-Xylopyranoside C25H36O6 432.251188 NA MeJP NA NA +MJ062203 8,9,10-Trihydroxy-3-longipinen-5-one, 10-Angeloyl, 9-(3-methylbutanoyl) C25H36O6 432.251188 NA MeJP NA NA +MJ062204 8,9,10-Trihydroxy-3-longipinen-5-one, 9-Angeloyl, 8-(2-methylbutanoyl) C25H36O6 432.251188 NA MeJP NA NA +MJ062205 8,9,10-Trihydroxy-3-longipinen-5-one, 9-Angeloyl, 8-(3-methylbutanoyl) C25H36O6 432.251188 NA MeJP NA NA +MJ062206 8,9,10-Trihydroxy-5-longipinanone, 8,9-Diangeloyl C25H36O6 432.251188 NA MeJP NA NA +MJ062207 8,9,10-Trihydroxy-5-longipinanone, 8,10-Diangeloyl C25H36O6 432.251188 NA MeJP NA NA +MJ062208 8,9,10-Trihydroxy-5-longipinanone, 8,9-Diangeloyl C25H36O6 432.251188 NA MeJP NA NA +MJ062209 8,9,10-Trihydroxy-5-longipinanone, 9,10-Diangeloyl C25H36O6 432.251188 NA MeJP NA NA +MJ062210 8,9,10-Trihydroxy-5-longipinanone, 9,10-Ditigloyl C25H36O6 432.251188 NA MeJP NA NA +MJ062211 8-Daucene-4,6-diol, 6-(3,4,5-Trimethoxybenzoyl) C25H36O6 432.251188 NA MeJP NA NA +MJ062212 9,13,15-Trihydroxy-16-kauren-19-oic acid, 15-Angeloyl C25H36O6 432.251188 NA MeJP NA NA +MJ062213 Abogenin C25H36O6 432.251188 NA MeJP NA NA +MJ062214 Antibiotic L 669262 C25H36O6 432.251188 NA MeJP NA NA +MJ062215 Chechum toxin C25H36O6 432.251188 NA MeJP NA NA +MJ062216 Colupdox a C25H36O6 432.251188 NA MeJP NA NA +MJ062217 Decinnamoyljolkinol B; 3-Propanoyl, 15-Ac C25H36O6 432.251188 NA MeJP NA NA +MJ062218 Erinacine C; 15-Aldehyde C25H36O6 432.251188 NA MeJP NA NA +MJ062219 Erinacine E C25H36O6 432.251188 NA MeJP NA NA +MJ062220 Fukinolidiol; 1-Angeloyl, 9-(3-methylbutanoyl) C25H36O6 432.251188 NA MeJP NA NA +MJ062221 Fukinolidiol; 9-Angeloyl, 1-(2-methylbutanoyl) C25H36O6 432.251188 NA MeJP NA NA +MJ062222 Fukinolidiol; 9-Angeloyl, 1-(3-methylbutanoyl) C25H36O6 432.251188 NA MeJP NA NA +MJ062223 Papuanic acid C25H36O6 432.251188 NA MeJP NA NA +MJ062224 Vibsanin C; 14?,15-Epoxide(1) C25H36O6 432.251188 NA MeJP NA NA +MJ062225 Vibsanin C; 14?,15-Epoxide(2) C25H36O6 432.251188 NA MeJP NA NA +MJ062226 Vibsanin E; 3?-Hydroxy C25H36O6 432.251188 NA MeJP NA NA +MJ062227 Vibsanin G C25H36O6 432.251188 NA MeJP NA NA +MJ062228 Vibsanin H C25H36O6 432.251188 NA MeJP NA NA +C08765 Glycinoeclepin A C25H36O6 432.2512 NA KEGG NA NA +PJ001366 STLL C19H36N4O7 432.2584 NA PeJP NA NA +C17979 Formimidoyl-fortimicin A C18H36N6O6 432.2696 NA KEGG NA NA +C17980 1-Epidactimicin C18H36N6O6 432.2696 NA KEGG NA NA +C17988 Istamycin A2 C18H36N6O6 432.2696 NA KEGG NA NA +MJ062229 Dactimicin C18H36N6O6 432.269632 NA MeJP NA NA +MJ062230 Istamycin A; N2''-Carbamoyl C18H36N6O6 432.269632 NA MeJP NA NA +MJ062231 Sporaricin C C18H36N6O6 432.269632 NA MeJP NA NA +PJ001367 GTKK C18H36N6O6 432.2697 NA PeJP NA NA +MJ062232 Aspochracin C23H36N4O4 432.273655 NA MeJP NA NA +MJ062233 12,16,22-Trihydroxy-24-methyl-24-oxo-25-scalaranoic acid, 25?12 Lactone C26H40O5 432.287574 NA MeJP NA NA +MJ062234 12,16,22-Trihydroxy-24-methyl-24-oxo-25-scalaranoic acid, 25?12-Lactone C26H40O5 432.287574 NA MeJP NA NA +MJ062235 3,29-Dihydroxy-24,25,26,27-tetranorlanost-8-eno-23,17-lactone, 22R-Hydroxy C26H40O5 432.287574 NA MeJP NA NA +MJ062236 Latanoprost C26H40O5 432.287574 NA MeJP NA NA +MJ062237 Salviaethiopisolide C26H40O5 432.287574 NA MeJP NA NA +C16146 4,4'-Diaponeurosporenic acid C30H40O2 432.3028 NA KEGG NA NA +MJ062238 4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,28-diol C30H40O2 432.30283 NA MeJP NA NA +MJ062239 4,4'-Diapocaroten-4-oic acid; 20,21-Dihydro C30H40O2 432.30283 NA MeJP NA NA +MJ062240 8'-Apo-?-caroten-8'-al; 8'-Carboxylic acid C30H40O2 432.30283 NA MeJP NA NA +MJ062241 8,11';12,12'-Bi[1(10),7-eremophiladien-9-one] C30H40O2 432.30283 NA MeJP NA NA +MJ062242 ?-Citraurol; 8'-Aldehyde C30H40O2 432.30283 NA MeJP NA NA +MJ062243 Biscineradienone C30H40O2 432.30283 NA MeJP NA NA +MJ062244 ?-Citraurin C30H40O2 432.30283 NA MeJP NA NA +MJ062245 16,18,20-Trihydroxycholesta-1,4,22-trien-3-one, 1,2,22,23-Tetrahydro C27H44O4 432.323959 NA MeJP NA NA +MJ062246 16,20,22-Trihydroxycholest-4-en-3-one C27H44O4 432.323959 NA MeJP NA NA +MJ062247 21,24-Epoxy-17,21-dihydroxycholesta-1,4-dien-3-one, 1,2,4,5-Tetrahydro C27H44O4 432.323959 NA MeJP NA NA +MJ062248 22,25-Epoxycholest-7-ene-2,3,4-triol C27H44O4 432.323959 NA MeJP NA NA +MJ062249 22,25-Epoxyfurostane-3,26-diol C27H44O4 432.323959 NA MeJP NA NA +MJ062250 23,26-Epoxy-9,10-secocholesta-5,7-diene-3,25,26-triol C27H44O4 432.323959 NA MeJP NA NA +MJ062251 3,16,17-Trihydroxycholest-5-en-22-one C27H44O4 432.323959 NA MeJP NA NA +MJ062252 3,23,25-Trihydroxy-9,10-secocholesta-5,7-dien-24-one C27H44O4 432.323959 NA MeJP NA NA +MJ062253 3,6,20-Trihydroxycholest-9(11)-en-23-one C27H44O4 432.323959 NA MeJP NA NA +MJ062254 3,6-Dihydroxy-9-oxo-9,11-secocholest-7-en-11-al C27H44O4 432.323959 NA MeJP NA NA +MJ062255 3,9,14-Trihydroxycholest-7-en-6-one C27H44O4 432.323959 NA MeJP NA NA +MJ062256 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, Octadecyl ester C27H44O4 432.323959 NA MeJP NA NA +MJ062257 6,19-Epidioxy-9,10-secocholesta-5(10),7-diene-3,25-diol C27H44O4 432.323959 NA MeJP NA NA +MJ062258 6-Methyl-1-heptadecanol, 3,4-Dihydroxycinnamoyl(E-) C27H44O4 432.323959 NA MeJP NA NA +MJ062259 7,13-Thyrsifloranediol, 13-(3-Methylbutanoyl), 7-Ac C27H44O4 432.323959 NA MeJP NA NA +MJ062260 9,10-Secocholesta-5,7,10(19)-triene-1,3,22,25-tetrol C27H44O4 432.323959 NA MeJP NA NA +MJ062261 9,10-Secocholesta-5,7,10(19)-triene-3,23,24,25-tetrol C27H44O4 432.323959 NA MeJP NA NA +MJ062262 9,10-Secocholesta-5,7,10(19)-triene-3,23,25,26-tetrol C27H44O4 432.323959 NA MeJP NA NA +MJ062263 9,10-Secocholesta-5,7,10(19)-triene-3,24,25,26-tetrol C27H44O4 432.323959 NA MeJP NA NA +MJ062264 9,11-Epoxycholest-7-ene-3,5,6-triol C27H44O4 432.323959 NA MeJP NA NA +MJ062265 Cabraleahydroxylactone; 17?-Hydroxy C27H44O4 432.323959 NA MeJP NA NA +MJ062266 Cholesta-7,22-diene-3,5,6,9-tetrol C27H44O4 432.323959 NA MeJP NA NA +MJ062267 Chologenin C27H44O4 432.323959 NA MeJP NA NA +MJ062268 Donanic acid C27H44O4 432.323959 NA MeJP NA NA +MJ062269 Glaciasterol B C27H44O4 432.323959 NA MeJP NA NA +MJ062270 Spirostane-1,3-diol C27H44O4 432.323959 NA MeJP NA NA +MJ062271 Spirostane-2,3-diol C27H44O4 432.323959 NA MeJP NA NA +MJ062272 Spirostane-3,11-diol C27H44O4 432.323959 NA MeJP NA NA +MJ062273 Spirostane-3,12-diol C27H44O4 432.323959 NA MeJP NA NA +MJ062274 Spirostane-3,15-diol C27H44O4 432.323959 NA MeJP NA NA +MJ062275 Spirostane-3,23-diol C27H44O4 432.323959 NA MeJP NA NA +MJ062276 Spirostane-3,25-diol C27H44O4 432.323959 NA MeJP NA NA +MJ062277 Spirostane-3,27-diol C27H44O4 432.323959 NA MeJP NA NA +MJ062278 Spirostane-3,6-diol C27H44O4 432.323959 NA MeJP NA NA +MJ062279 Trixagol; Malonyl, 2-methylpropyl ester C27H44O4 432.323959 NA MeJP NA NA +HMDB06228 24-Hydroxycalcitriol C27H44O4 432.32397 http://www.hmdb.ca/metabolites/HMDB06228 HMDB NA NA +HMDB06228 24-Hydroxycalcitriol C27H44O4 432.32397 HMDB06228 PFEM_hmdb_metabocards_official NA NA +HMDB06228 24-Hydroxycalcitriol C27H44O4 432.323975 NA HMDB2010 NA NA +HMDB12454 3 beta,7 alpha-Dihydroxy-5-cholestenoate C27H44O4 432.323975 NA HMDB2010 NA NA +C08899 Gitogenin C27H44O4 432.324 NA KEGG NA NA +C16494 3beta,5beta-Ketotriol C27H44O4 432.324 NA KEGG NA NA +C17003 Neogitogenin C27H44O4 432.324 NA KEGG NA NA +C17335 3beta,7alpha-Dihydroxy-5-cholestenoate C27H44O4 432.324 NA KEGG NA NA +MJ062280 Baleabuxidine I; N20,N20-Di-Me C26H44N2O3 432.335193 NA MeJP NA NA +C15790 Cathasterone C28H48O3 432.3603 NA KEGG NA NA +C15800 3-Dehydro-6-deoxoteasterone C28H48O3 432.3603 NA KEGG NA NA +C16252 (22R,23R)-22,23-Dihydroxycampesterol C28H48O3 432.3603 NA KEGG NA NA +MJ062281 2-(4-Hydroxyphenyl)ethanol; 1-O-Eicosanoyl C28H48O3 432.360345 NA MeJP NA NA +MJ062282 24-Methyl-5,6-secocholest-7-ene-3,5,6-triol, 22,23-Didehydro C28H48O3 432.360345 NA MeJP NA NA +MJ062283 24-Methyl-5,6-secocholest-7-ene-3,5,6-triol, 24,28-Didehydro C28H48O3 432.360345 NA MeJP NA NA +MJ062284 3,11-Dihydroxy-9,11-secoergosta-5,24(28)-dien-9-one, 24,28-Dihydro C28H48O3 432.360345 NA MeJP NA NA +MJ062285 3,5-Dihydroxyergostan-6-one C28H48O3 432.360345 NA MeJP NA NA +MJ062286 3,7-Dimethyl-1,6-octadiene-3,4-diol, 4-(9Z,12Z-Octadecadienoyl) C28H48O3 432.360345 NA MeJP NA NA +MJ062287 ?-Tocopheryl quinone C28H48O3 432.360345 NA MeJP NA NA +MJ062288 Capiquinones; Capiquinone E C28H48O3 432.360345 NA MeJP NA NA +MJ062289 Cholesta-7,22-diene-3,5,6-triol, 22,23-Dihydro, 6-Me ether C28H48O3 432.360345 NA MeJP NA NA +MJ062290 Ergost-22-ene-3,5,6-triol C28H48O3 432.360345 NA MeJP NA NA +MJ062291 Ergost-24(28)-ene-3,5,6-triol C28H48O3 432.360345 NA MeJP NA NA +MJ062292 Ergost-5-ene-1,3,11-triol C28H48O3 432.360345 NA MeJP NA NA +MJ062293 Ergost-5-ene-3,22,25-triol C28H48O3 432.360345 NA MeJP NA NA +MJ062294 Ergost-7-ene-3,5,6-triol C28H48O3 432.360345 NA MeJP NA NA +MJ062295 Ergosta-5,24(28)-diene-1,3,11-triol, 5?,6-Dihydro C28H48O3 432.360345 NA MeJP NA NA +MetaCyc03546 3-dehydro-6-deoxoteasterone [dehydro-deoxoteasterone;] C28H48O3 432.360345 NA metacyc NA NA +MetaCyc03547 cathasterone [] C28H48O3 432.360345 NA metacyc NA NA +MJ062296 Cyclomicrophylline I; 6,7-Dihydro, N3,N20,N20-tri-Me C27H48N2O2 432.371578 NA MeJP NA NA +MJ062297 Solacapine C27H48N2O2 432.371578 NA MeJP NA NA +C10818 Solacapine C27H48N2O2 432.3716 NA KEGG NA NA +MJ062298 20,32-Cyclobishomo-20,22,31-hopatriene C32H48 432.375601 NA MeJP NA NA +MJ062299 14-Methylergostane-3,25-diol C29H52O2 432.39673 NA MeJP NA NA +MJ062300 5,9,23-Nonacosatrienoic acid C29H52O2 432.39673 NA MeJP NA NA +MJ062301 5-Tricosyl-1,3-benzenediol C29H52O2 432.39673 NA MeJP NA NA +MJ062302 Cholestan-3-one; 5?-form, Di-Me acetal C29H52O2 432.39673 NA MeJP NA NA +MJ062303 Stigmastane-3,5-diol C29H52O2 432.39673 NA MeJP NA NA +MJ062304 Stigmastane-3,6-diol C29H52O2 432.39673 NA MeJP NA NA +MJ062305 15,19,23-Triacontatrien-13-ol C30H56O 432.433116 NA MeJP NA NA +MJ062306 2-Tridecyl-2,4-heptadecadienal C30H56O 432.433116 NA MeJP NA NA +MJ062307 1,22-Hentriacontadiene C31H60 432.469501 NA MeJP NA NA +3512 ACE inhibitor (as1-CN 157-164) DAYPSGAW 432.67395 MH2+ Inhouse_peptide NA peptide +3974 ACE inhibitor YGLVAGTW 432.71 MH2+ Inhouse_peptide NA peptide +3798 NA WWPKHN~ 432.71045 MH2+ Inhouse_peptide NA peptide +MJ062308 3,5-Diiodotyrosine C9H9I2NO3 432.867179 NA MeJP NA NA +MJ062309 Betasine C9H9I2NO3 432.867179 NA MeJP NA NA +MetaCyc03548 diiodo-L-tyrosine [diiodotyrosine;3,5-diiodotyrosine;diiodo-L-tyrosine;iodotyrosine;3,5-diiodo-L-tyrosine;] C9H9N1O3I2 432.867179 66-02-4 metacyc NA NA +MJ062310 432.988818837 3-(3,5-Dibromo-4-hydroxyphenyl)-2-propenoic acid, 4-O-(3-Dimethylaminopropyl), Et ester C9H9I2NO3 432.86718 NA MeJP NA NA +HMDB03474 3,5-Diiodo-L-tyrosine C9H9I2NO3 432.867188 NA HMDB2010 NA NA +HMDB03474 3,5-Diiodo-L-tyrosine C9H9I2NO3 432.86719 http://www.hmdb.ca/metabolites/HMDB03474 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03474 3,5-Diiodo-L-tyrosine C9H9I2NO3 432.86719 http://www.hmdb.ca/metabolites/HMDB03474 HMDB NA NA +HMDB03474 3,5-Diiodo-L-tyrosine C9H9I2NO3 432.86719 NA ;SYN:1-Methyl-5-imidazoleacetic acid; 1-methyl-Imidazole-5-acetic acidH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB03474 3,5-Diiodo-L-tyrosine C9H9I2NO3 432.86719 http://www.hmdb.ca/metabolites/HMDB03474 PFEM_hmdb_metabocards_blood NA blood +HMDB03474 3,5-Diiodo-L-tyrosine C9H9I2NO3 432.86719 HMDB03474 PFEM_hmdb_metabocards_official NA NA +C01060 3,5-Diiodo-L-tyrosine C9H9I2NO3 432.8672 NA KEGG NA NA +MJ062311 Benzthiazide; 3,4-Dihydro C15H16ClN3O4S3 432.999145 NA MeJP NA NA +MJ062312 Antazirine C17H25Br2NO2 433.025204 NA MeJP NA NA +MJ062313 Spiroplatin C8H18N2O4PtS 433.063502 NA MeJP NA NA +MJ062314 Cyfluthrin C22H18Cl2FNO3 433.064777 NA MeJP NA NA +C10982 Cyfluthrin C22H18Cl2FNO3 433.0648 NA KEGG NA NA +FL7AAAGA0001 Fragarin C21H21O10 433.11347 574-57-2 knapsack NA NA +FL7AAAGL0002 Callistephin;Pelargonidin 3-O-beta-D-glucopyranoside C21H21O10 433.11347 18466-51-8 knapsack NA NA +FL7AAAGS0005 Pelargonidin 5-galactoside C21H21O10 433.11347 157526-28-8 knapsack NA NA +FL7AAAGS0006 Pelargonidin 7-glucoside C21H21O10 433.11347 125107-92-8 knapsack NA NA +FL7AACGS0003 Cyanidin 3-rhamnoside C21H21O10 433.11347 38533-30-1 knapsack NA NA +FL7AADGS0001 Peonidin 3-arabinoside C21H21O10 433.11347 27214-74-0 knapsack NA NA +FL7DACGS0001 Luteolinidin 5-glucoside C21H21O10 433.11347 13089-93-5 knapsack NA NA +FL7DACGS0002 Luteolinidin 7-glucoside C21H21O10 433.11347 53948-05-3 knapsack NA NA +MetaCyc03549 pelargonidin-3-O-β-D-glucoside [C21H21CLO5;callistephin;3-(β-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride;] C21H21O10 433.113472 NA metacyc NA NA +C12137 Pelargonidin 3-O-glucoside C21H21O10 433.1135 NA KEGG NA NA +MJ062315 Benzilonium(1+), Bromide C22H28BrNO3 433.125256 NA MeJP NA NA +MJ062316 Pipenzolate(1+); Bromide C22H28BrNO3 433.125256 NA MeJP NA NA +MJ062317 Glaucine, 3-Chloro, N-de-Me, N-methoxycarbonyl C22H24ClNO6 433.129215 NA MeJP NA NA +C16445 Dihydrozeatin riboside monophosphate C15H24N5O8P 433.1362 NA KEGG NA NA +MJ062318 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,8-Di-Me ether, 7-O-(O-acetyl-?-L-rhamnopyranoside) C21H23NO9 433.137281 NA MeJP NA NA +PJ001368 GNDE C15H23N5O10 433.1445 NA PeJP NA NA +MJ062319 N-[[5-[(2-Amino-3-mercaptopropyl)amino][1,1']-biphenyl]-2-yl]carbonylmethionine C21H27N3O3S2 433.149383 NA MeJP NA NA +MJ062320 Trichanthin A; 4'-Deoxy C22H27NO6S 433.155908 NA MeJP NA NA +MJ062321 1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid, Nitrile, 1-O-?-rutinoside C18H27NO11 433.15841 NA MeJP NA NA +MJ062322 1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid, Nitrile, 1-O-?-D-glucopyranoside, 4-O-(6-deoxy-?-D-allopyranoside) C18H27NO11 433.15841 NA MeJP NA NA +MJ062323 1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid, Nitrile, 1-O-?-D-glucopyranoside, 4-O-(6-deoxy-?-D-gulopyranoside) C18H27NO11 433.15841 NA MeJP NA NA +PJ001369 NDW C19H23N5O7 433.1598 NA PeJP NA NA +PJ001370 SPCQ C16H27N5O7S 433.1631 NA PeJP NA NA +MJ062324 Isochromophilone VI C23H28ClNO5 433.1656 NA MeJP NA NA +MJ062325 Hetacillin; Methoxymethyl ester C21H27N3O5S 433.167141 NA MeJP NA NA +MJ062326 Higenamine, 4'-O-?-D-Glucopyranoside C22H27NO8 433.173666 NA MeJP NA NA +MJ062327 Sinococuline; 6-Epimer, 10?-hydroxy, O6,O7-di-Ac C22H27NO8 433.173666 NA MeJP NA NA +MJ062328 Tirandamycin A; 11-Hydroxy C22H27NO8 433.173666 NA MeJP NA NA +MJ062329 Isonaamidine A; Di-Me ether C23H23N5O4 433.175004 NA MeJP NA NA +MJ062330 Meleagrin C23H23N5O4 433.175004 NA MeJP NA NA +MJ062331 Naamidine A C23H23N5O4 433.175004 NA MeJP NA NA +PJ001371 MHF C20H27N5O4S 433.1784 NA PeJP NA NA +MJ062332 Ciclofenazine C23H26F3N3S 433.179953 NA MeJP NA NA +PJ001372 GTQE C16H27N5O9 433.1809 NA PeJP NA NA +3126 fibronectin inhibitor RGDS 433.1809 celiac toxic Inhouse_peptide NA peptide +MJ062333 Echiumine; 2'',3''-Dihydro, 2''R*-hydroxy, 3''S*-chloro C20H32ClNO7 433.18673 NA MeJP NA NA +MJ062334 8-(4-Hydroxybenzyl)-2-methoxy-3,10,11-berbintriol; 8?-form, O4'-Me C26H27NO5 433.188922 NA MeJP NA NA +MJ062335 Coyhaiquine C26H27NO5 433.188922 NA MeJP NA NA +MJ062336 Karachine C26H27NO5 433.188922 NA MeJP NA NA +PJ001373 GSDR C15H27N7O8 433.1921 NA PeJP NA NA +MJ062337 Gerambullal; N-Me C23H31NO5S 433.192293 NA MeJP NA NA +MJ062338 Gerambullin; 5'-Oxo, ?3',4'-isomer, N-Me C23H31NO5S 433.192293 NA MeJP NA NA +MJ062339 Gerambullin; 5'-Oxo, N-Me C23H31NO5S 433.192293 NA MeJP NA NA +PJ001374 TQW C20H27N5O6 433.1961 NA PeJP NA NA +PJ001375 GATW C20H27N5O6 433.1962 NA PeJP NA NA +PJ001376 GVQM C17H31N5O6S 433.1995 NA PeJP NA NA +3724 NA WWPKHGG 433.202 MH2+ Inhouse_peptide NA peptide +MJ062340 Penethamate C22H31N3O4S 433.203527 NA MeJP NA NA +HMDB10341 Dextrorphan O-glucuronide C23H31NO7 433.210052 NA HMDB2010 NA NA +MJ062341 Ipanguline D3; 2''-Epimer, 7-O-(phenylacetyl), 3''-Ac C23H31NO7 433.210052 NA MeJP NA NA +MJ062342 Ipanguline D3; 7-O-(Phenylacetyl), 3''-Ac C23H31NO7 433.210052 NA MeJP NA NA +MJ062343 Longanine; O6-Ac, di-Me ether C23H31NO7 433.210052 NA MeJP NA NA +MJ062344 Mycophenolic acid; 2-(4-Morpholinyl)ethyl ester C23H31NO7 433.210052 NA MeJP NA NA +C07908 Mycophenolate mofetil C23H31NO7 433.2101 NA KEGG NA NA +PJ001377 QMR C16H31N7O5S 433.2108 NA PeJP NA NA +PJ001378 GTKE C17H31N5O8 433.2173 NA PeJP NA NA +PJ001379 CRR C15H31N9O4S 433.222 NA PeJP NA NA +MJ062345 1,2,15-Hetisantriol, 2-Benzoyl C27H31NO4 433.225308 NA MeJP NA NA +MJ062346 Crassicauline B C27H31NO4 433.225308 NA MeJP NA NA +MJ062347 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, O17-(3-Pyridinecarboxylate), 3-propanoyl C27H31NO4 433.225308 NA MeJP NA NA +MJ062348 Hericenone B C27H31NO4 433.225308 NA MeJP NA NA +MJ062349 Ilicicolin H C27H31NO4 433.225308 NA MeJP NA NA +MJ062350 Kobusine; 6-Hydroxy, O15-benzoyl C27H31NO4 433.225308 NA MeJP NA NA +MJ062351 Paspalinine C27H31NO4 433.225308 NA MeJP NA NA +MJ062352 Ryosenaminol; O2-Benzoyl C27H31NO4 433.225308 NA MeJP NA NA +MJ062353 Sanyonamine; 11?-Hydroxy, 2-benzoyl C27H31NO4 433.225308 NA MeJP NA NA +PJ001380 GTTR C16H31N7O7 433.2285 NA PeJP NA NA +PJ001381 TKW C21H31N5O5 433.2325 NA PeJP NA NA +PJ001382 GVKM C18H35N5O5S 433.2359 NA PeJP NA NA +MJ062354 Delpheline; 6-Ketone, O14-de-Me C24H35NO6 433.246437 NA MeJP NA NA +MJ062355 Heteratisine; O6-Ac C24H35NO6 433.246437 NA MeJP NA NA +MJ062356 Norerythrosuamide; 7-Ketone C24H35NO6 433.246437 NA MeJP NA NA +MJ062357 Peregrinine C24H35NO6 433.246437 NA MeJP NA NA +PJ001383 KMR C17H35N7O4S 433.2471 NA PeJP NA NA +MJ062358 Lirexapride C24H36ClN3O2 433.249605 NA MeJP NA NA +MJ062359 Antibiotic SF 2052B C18H35N5O7 433.253648 NA MeJP NA NA +MJ062360 Fortimicin A; N?-Formyl C18H35N5O7 433.253648 NA MeJP NA NA +MJ062361 Sisomicin B C18H35N5O7 433.253648 NA MeJP NA NA +MJ062362 Sisomicin D C18H35N5O7 433.253648 NA MeJP NA NA +MJ062363 Sisomicin; N-De-Me C18H35N5O7 433.253648 NA MeJP NA NA +PJ001384 SSLK C18H35N5O7 433.2537 NA PeJP NA NA +C11298 N-Formyl-norleucyl-leucyl-phenylalanyl-methylester C23H35N3O5 433.2577 NA KEGG NA NA +MJ062364 18-Hydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6,13,19-triene-1,21-dione C28H35NO3 433.261693 NA MeJP NA NA +MJ062365 7,18,19-Trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(12),13-diene-1,21-dione; 18,19-Dideoxy, 19,20-didehydro (E-) C28H35NO3 433.261693 NA MeJP NA NA +MJ062366 Antibiotic PF 1018 C28H35NO3 433.261693 NA MeJP NA NA +MJ062367 Erythronolide A; 9-Oxime C21H39NO8 433.267567 NA MeJP NA NA +MJ062368 Cassamine C25H39NO5 433.282823 NA MeJP NA NA +MJ062369 Delpheline; 6-Deoxy C25H39NO5 433.282823 NA MeJP NA NA +MJ062370 Karakoline; O1-Me, O14-Ac C25H39NO5 433.282823 NA MeJP NA NA +MJ062371 Karakoline; O14-Me, O8-Ac C25H39NO5 433.282823 NA MeJP NA NA +MJ062372 Pyrochasmanine C25H39NO5 433.282823 NA MeJP NA NA +MJ062373 Mofarotene C29H39NO2 433.298079 NA MeJP NA NA +MJ062374 Alinastine C28H39N3O 433.309312 NA MeJP NA NA +C15557 Glycolithocholate C26H43NO4 433.3192 NA KEGG NA NA +C15558 Dermatan 6'-sulfate C26H43NO4 433.3192 NA KEGG NA NA +MJ062375 3-Hydroxycholan-24-oic acid, Glycine amide C26H43NO4 433.319208 NA MeJP NA NA +HMDB00698 Lithocholic acid glycine conjugate C26H43NO4 433.31921 http://www.hmdb.ca/metabolites/HMDB00698 HMDB NA NA +HMDB00698 Lithocholic acid glycine conjugate C26H43NO4 433.31921 Short chain acyl carnitines ;SYN:O-Butanoylcarnitine;(R)-3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-1-Propanaminium; (3-carboxy-2-hydroxypropyl)trimethyl-L-butyrate; ester with (3-carboxy-2-hydroxypropyl)trimethylammonium L-Butyric acid; ester with L-(3-carboxy-2-hydroxypropyl)trimethylammonium Butyric acid; Butyryl-L-carnitine; L-Carnitine butyryl ester; n-Butyryl-L(-)-carnitineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00698 Lithocholic acid glycine conjugate C26H43NO4 433.31921 HMDB00698 PFEM_hmdb_metabocards_official NA NA +HMDB00698 Lithocholic acid glycine conjugate C26H43NO4 433.319214 NA HMDB2010 NA NA +MJ062376 Mycalazal 1 C30H43NO 433.334465 NA MeJP NA NA +3499 ACE inhibitor from b-casein SKVLPVPE 433.746 MH2+ Inhouse_peptide NA peptide +MetaCyc03550 diiodo-4-hydroxyphenyl-lactate [3-(3,5-diiodo-4-hydroxyphenyl)lactate;β-(3,5-diiodo-4-hydroxyphenyl)lactate;] C9H8O4I2 433.851195 NA metacyc NA NA +C04367 3-(3,5-Diiodo-4-hydroxyphenyl)lactate C9H8I2O4 433.8512 NA KEGG NA NA +MJ062377 5-[3,5-Dibromo-4-[(2-oxo-5-oxazolidinyl)methoxy]phenyl]-2-oxazolidinone C13H12Br2N2O5 433.911296 NA MeJP NA NA +MJ062378 Midpacamide C13H16Br2N4O3 433.958915 NA MeJP NA NA +MJ062379 Ellagic acid; 2-O-?-D-Xylopyranoside C19H14O12 434.048525 NA MeJP NA NA +MJ062380 Hexasonium(1+), Iodide C18H27IO2S 434.077644 NA MeJP NA NA +FL3FAGGS0002 Tricetin 3'-xyloside C20H18O11 434.08491 117247-36-6 knapsack NA NA +FL3FALGS0002 Isoetin 2'-xyloside C20H18O11 434.08491 134981-95-6 knapsack NA NA +FL3FECGS0003 6-Hydroxyluteolin 6-xyloside C20H18O11 434.08491 65876-67-7 knapsack NA NA +FL3FECGS0007 6-Hydroxyluteolin 7-arabinopyranoside C20H18O11 434.08491 52828-25-8 knapsack NA NA +FL3FECGS0008 6-Hydroxyluteolin 7-xyloside C20H18O11 434.08491 - knapsack NA NA +FL3FECGS0010 6-Hydroxyluteolin 7-apioside C20H18O11 434.08491 76318-87-1 knapsack NA NA +FL3FFCGS0001 8-Hydroxyluteolin 7-xyloside C20H18O11 434.08491 126771-28-6 knapsack NA NA +FL5FACGS0001 Avicularin;Avicularine;Avicularoside;Quercetin 3-alpha-L-arabinofuranoside C20H18O11 434.08491 572-30-5 knapsack NA NA +FL5FACGS0002 Guaijaverin C20H18O11 434.08491 22255-13-6 knapsack NA NA +FL5FACGS0003 Quercetin 3-beta-L-arabinopyranoside C20H18O11 434.08491 94131-44-9 knapsack NA NA +FL5FACGS0004 Reynoutrin C20H18O11 434.08491 6743-88-0 knapsack NA NA +FL5FACGS0012 Quercetin 7-xyloside C20H18O11 434.08491 82178-32-3 knapsack NA NA +FL5FACGS0017 Quercetin 3'-xyloside C20H18O11 434.08491 60534-67-0 knapsack NA NA +FL5FACGS0061 Quercetin 3-O-alpha-D-arabinopyranoside;3-(alpha-D-Arabinopyranosyloxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C20H18O11 434.08491 201610-60-8 knapsack NA NA +FL5FFAGS0001 Herbacetin 7-beta-L-arabinopyranoside C20H18O11 434.08491 74355-99-0 knapsack NA NA +FL5FFAGS0004 Herbacetin 8-alpha-L-arabinopyranoside C20H18O11 434.08491 58902-10-6 knapsack NA NA +FL5FFAGS0005 Herbacetin 8-xyloside C20H18O11 434.08491 54676-60-7 knapsack NA NA +MJ062381 2',4',5,5',7-Pentahydroxyflavone; 2'-O-?-D-Xylopyranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062382 2',4',5,5',7-Pentahydroxyflavone; 7-O-Arabinoside C20H18O11 434.084911 NA MeJP NA NA +MJ062383 3',4',5,5',7-Pentahydroxyflavone; 3'-O-?-D-Xylopyranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062384 3',4',5,6,7-Pentahydroxyflavone; 6-O-?-D-Xylopyranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062385 3',4',5,6,7-Pentahydroxyflavone; 7-O-?-D-Xylopyranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062386 3',4',5,6,7-Pentahydroxyflavone; 7-O-D-Apioside C20H18O11 434.084911 NA MeJP NA NA +MJ062387 3',4',5,6,7-Pentahydroxyflavone; 7-O-L-Arabinopyranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062388 3',4',5,7,8-Pentahydroxyflavone; 7-O-?-D-Xylopyranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062389 3,3',4',5,7-Pentahydroxyflavone; 3'-O-?-L-Arabinofuranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062390 3,3',4',5,7-Pentahydroxyflavone; 3'-O-Xyloside C20H18O11 434.084911 NA MeJP NA NA +MJ062391 3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Arabinofuranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062392 3,3',4',5,7-Pentahydroxyflavone; 3-O-?-L-Arabinofuranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062393 3,3',4',5,7-Pentahydroxyflavone; 3-O-?-L-Arabinopyranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062394 3,3',4',5,7-Pentahydroxyflavone; 3-O-Arabinopyranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062395 3,3',4',5,7-Pentahydroxyflavone; 3-O-Xyloside C20H18O11 434.084911 NA MeJP NA NA +MJ062396 3,3',4',5,7-Pentahydroxyflavone; 3-O-?-L-Arabinopyranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062397 3,3',4',5,7-Pentahydroxyflavone; 7-O-?-D-Xylopyranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062398 3,3',4',5,7-Pentahydroxyflavone; 7-O-Arabinoside C20H18O11 434.084911 NA MeJP NA NA +MJ062399 3,4',5,7,8-Pentahydroxyflavone; 7-O-?-L-Arabinopyranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062400 3,4',5,7,8-Pentahydroxyflavone; 8-O-?-D-Arabinofuranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062401 3,4',5,7,8-Pentahydroxyflavone; 8-O-?-D-Xylopyranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062402 3,4',5,7,8-Pentahydroxyflavone; 8-O-?-D-Lyxopyranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062403 3,4',5,7,8-Pentahydroxyflavone; 8-O-?-L-Arabinopyranoside C20H18O11 434.084911 NA MeJP NA NA +MJ062404 Avicularin C20H18O11 434.084911 NA MeJP NA NA +MJ062405 Fukiic acid, 2-O-(3,4-Dihydroxy-E-cinnamoyl) C20H18O11 434.084911 NA MeJP NA NA +MJ062406 Quercetin 3-arabinoside C20H18O11 434.084911 NA MeJP NA NA +MJ062407 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-Arabinoside C20H19O11(+) 434.084911 NA MeJP NA NA +C09359 Chlorohyssopifolin A C19H24Cl2O7 434.0899 NA KEGG NA NA +MJ062408 15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(3-Chloro-2-hydroxy-2-methylpropanoyl)(2R-) C19H24Cl2O7 434.089908 NA MeJP NA NA +MJ062409 15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(3-Chloro-2-hydroxy-2-methylpropanoyl)(2S-) C19H24Cl2O7 434.089908 NA MeJP NA NA +C05820 (L-Seryl)adenylate C13H19N6O9P 434.0951 NA KEGG NA NA +MetaCyc03551 L-Seryl-AMP [L-seryl-adenylate;] C13H19N6O9P1 434.095113 NA metacyc NA NA +FL3FACNN0001 Sinaticin C24H18O8 434.10016 - knapsack NA NA +MJ062410 2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)benzoquinone; 2-O-(4S,5S-Epoxy-2Z-hexenoyl) C24H18O8 434.100167 NA MeJP NA NA +MJ062411 3,3'-Bi[6-hydroxy-5-methoxy-2-methylnaphthoquinone] C24H18O8 434.100167 NA MeJP NA NA +MJ062412 Hydnocarpin; 3''-Demethoxy C24H18O8 434.100167 NA MeJP NA NA +MJ062413 Knipholone C24H18O8 434.100167 NA MeJP NA NA +MJ062414 Spiromentin B C24H18O8 434.100167 NA MeJP NA NA +MJ062415 Spiromentin C C24H18O8 434.100167 NA MeJP NA NA +C10365 Knipholone C24H18O8 434.1002 NA KEGG NA NA +C11601 LDS-751 C21H23N2S 434.1067 NA KEGG NA NA +MJ062416 3-Chloro-8,9-dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-Deoxy, 8-O-(2-Acetoxymethyl-2E-butenoyl) C22H23ClO7 434.11323 NA MeJP NA NA +MJ062417 Falconensin A; 3''-Dechloro, 4''-O-de-Me C22H23ClO7 434.11323 NA MeJP NA NA +MJ062418 Vibrioferrin C16H22N2O12 434.117274 NA MeJP NA NA +MJ062419 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Chloral hemiacetal C21H29Cl3O3 434.118227 NA MeJP NA NA +MJ062420 Phenamet C19H28Cl2N2O3S 434.119768 NA MeJP NA NA +FL1C1AGS0007 Monospermoside C21H22O10 434.12129 - knapsack NA NA +FL1C1CGS0001 Coreopsin C21H22O10 434.12129 499-29-6 knapsack NA NA +FL1CAAGS0001 Chalconaringenin 4-glucoside C21H22O10 434.12129 68116-40-5 knapsack NA NA +FL1CAAGS0004 Isosalipurposide C21H22O10 434.12129 4547-85-7 knapsack NA NA +FL1CAAGS0005 Chalconaringenin 4'-glucoside C21H22O10 434.12129 25218-09-1 knapsack NA NA +FL1CHYGS0001 2',4',6',beta-Tetrahydroxychalcone 2'-glucoside C21H22O10 434.12129 73519-15-0 knapsack NA NA +FL1CHYGS0002 2',4',6',beta-Tetrahydroxychalcone 4'-glucoside C21H22O10 434.12129 50634-04-3 knapsack NA NA +FL2F1CCS0001 Palodulcin B C21H22O10 434.12129 - knapsack NA NA +FL2F1CGS0002 Isomonospermoside C21H22O10 434.12129 30382-20-8 knapsack NA NA +FL2F1CGS0003 Isocoreopsin C21H22O10 434.12129 30382-18-4 knapsack NA NA +FL2F3CGS0002 Isookaninrhamnoside C21H22O10 434.12129 96658-02-5 knapsack NA NA +FL2FA8GS0003 5,7,2'-Trihydroxyflavanone 7-glucoside C21H22O10 434.12129 27960-47-0 knapsack NA NA +FL2FAACS0001 Hemiphloin;6-C-Glucosylnaringenin;(S)-6-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavanone; (2S)-6-beta-D-Glucopyranosyl-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C21H22O10 434.12129 09/03/3682 knapsack NA NA +FL2FAACS0002 Isohemiphloin;(S)-8-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavanone;(2S)-8-beta-D-Glucopyranosyl-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C21H22O10 434.12129 08/02/3682 knapsack NA NA +FL2FAAGS0003 Prunin C21H22O10 434.12129 529-55-5 knapsack NA NA +FL2FAAGS0004 Floribundoside C21H22O10 434.12129 529-41-9 knapsack NA NA +FL2FAAGS0008 Naringenin 4'-O-glucoside C21H22O10 434.12129 81202-36-0 knapsack NA NA +FL2FAAGS0009 Naringenin 4'-O-galactoside C21H22O10 434.12129 72539-34-5 knapsack NA NA +FL2FACGS0002 Eriodictyol 5-O-rhamnoside C21H22O10 434.12129 71481-42-0 knapsack NA NA +FL2FACGS0005 Eriodictin C21H22O10 434.12129 480-35-3 knapsack NA NA +FL2FE9GS0003 (2S)-5,6,7-Trihydroxyflavanone 7-glucoside C21H22O10 434.12129 151363-18-7 knapsack NA NA +FL2FFAGS0001 Isocarthamidin 7-O-rhamnoside C21H22O10 434.12129 152367-40-3 knapsack NA NA +FL3FGLNS0006 Agehoustin D C21H22O10 434.12129 97564-58-4 knapsack NA NA +FL4D1AGS0001 Lecontin C21H22O10 434.12129 19146-28-2 knapsack NA NA +FL4D1CGS0002 Fustin 7-rhamnoside C21H22O10 434.12129 114728-43-7 knapsack NA NA +FL4DAAGS0004 Engeletin C21H22O10 434.12129 572-31-6 knapsack NA NA +FL4DAAGS0005 Isoengeletin C21H22O10 434.12129 30987-58-7 knapsack NA NA +FL4DAAGS0007 Aromadendrin 7-rhamnoside C21H22O10 434.12129 69135-41-7 knapsack NA NA +FL5FGGNS0009 3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone C21H22O10 434.12129 78516-76-4 knapsack NA NA +FL5FGGNS0010 Digicitrin C21H22O10 434.12129 01/10/5065 knapsack NA NA +FL5FGGNS0011 5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone;5,7-Dihydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C21H22O10 434.12129 96887-18-2 knapsack NA NA +FL5FGLNS0011 5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone;5-Hydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one C21H22O10 434.12129 100363-96-0 knapsack NA NA +FL5FGLNS0012 5,7-Dihydroxy-3,6,8,2',4',5'-hexamethoxyflavone C21H22O10 434.12129 113744-04-0 knapsack NA NA +MJ062421 1-Phenyl-3-(2,4,6-trihydroxyphenyl)-1,3-propanedione, 4'-O-?-D-Glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062422 10-Hydroxyaloin C21H22O10 434.121296 NA MeJP NA NA +MJ062423 2',3',4',5,5',6,7,8-Octahydroxyflavone; 2',4',5',6,7,8-Hexa-Me ether C21H22O10 434.121296 NA MeJP NA NA +MJ062424 2',3,4',5,5',6,7,8-Octahydroxyflavone; 2',3,4',5',6,8-Hexa-Me ether C21H22O10 434.121296 NA MeJP NA NA +MJ062425 2',3,4',5,5',6,7,8-Octahydroxyflavone; 3,4',5',6,7,8-Hexa-Me ether C21H22O10 434.121296 NA MeJP NA NA +MJ062426 2',3,4,4'-Tetrahydroxychalcone; 3-O-?-D-Glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062427 2',3,4,4'-Tetrahydroxychalcone; 4-O-?-D-Glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062428 2',4,4',6'-Tetrahydroxychalcone; 2'-O-?-D-Glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062429 2',4,4',6'-Tetrahydroxychalcone; 4'-O-?-D-Glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062430 2',4,4',6'-Tetrahydroxychalcone; 4-O-?-D-Glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062431 2',5,7-Trihydroxyflavanone, 7-O-?-D-Glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062432 3',4',5,7-Tetrahydroxyflavanone, 5-O-?-L-Rhamnopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062433 3',4',5,7-Tetrahydroxyflavanone, 7-O-?-L-Rhamnopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062434 3',4',7,8-Tetrahydroxyflavanone, 7-O-?-L-Rhamnopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062435 3',4',7-Trihydroxyflavanone, 3'-O-?-D-Glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062436 3',4',7-Trihydroxyflavanone, 7-O-?-D-Glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062437 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,3',4',5',6,8-Hexa-Me ether C21H22O10 434.121296 NA MeJP NA NA +MJ062438 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',5',6,7,8-Hexa-Me ether C21H22O10 434.121296 NA MeJP NA NA +MJ062439 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',5,6,7,8-Hexa-Me ether C21H22O10 434.121296 NA MeJP NA NA +MJ062440 3,3',4',7-Tetrahydroxyflavanone, 7-O-?-L-Rhamnopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062441 3,4',5,7-Tetrahydroxyflavanone, 3-O-?-L-Rhamnopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062442 3,4',5,7-Tetrahydroxyflavanone, 7-O-?-L-Rhamnopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062443 3,4',5,7-Tetrahydroxyflavanone, 3-O-?-L-Rhamnopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062444 3,4',7-Trihydroxyflavanone, 3-O-?-D-Glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062445 3-Hydroxy-2-methyl-4H-pyran-4-one; O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] C21H22O10 434.121296 NA MeJP NA NA +MJ062446 4',5,7,8-Tetrahydroxyflavanone, 7-O-?-L-Rhamnopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062447 4',5,7-Trihydroxyflavanone, 5-O-?-D-Glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062448 4',5,7-Trihydroxyflavanone, 4'-O-?-D-Galactopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062449 4',5,7-Trihydroxyflavanone, 4'-O-?-D-Glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062450 4',5,7-Trihydroxyflavanone, 5-O-?-D-Glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062451 4',5,7-Trihydroxyflavanone, 7-O-?-D-Glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062452 4',5,7-Trihydroxyflavanone, O-Fructoside C21H22O10 434.121296 NA MeJP NA NA +MJ062453 5,6,7-Trihydroxyflavanone, 7-O-?-D-Glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062454 5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 8-Me ether, 6-O-?-D-glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062455 5,7,8-Trihydroxyflavanone, 7-O-?-D-Glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MJ062456 8-Glucopyranosyl-4',5,7-trihydroxyflavanone C21H22O10 434.121296 NA MeJP NA NA +MJ062457 Aloin, 7-Hydroxy C21H22O10 434.121296 NA MeJP NA NA +MJ062458 Aloin, 5-Hydroxy C21H22O10 434.121296 NA MeJP NA NA +MJ062459 Aloin, 7-Hydroxy C21H22O10 434.121296 NA MeJP NA NA +MJ062460 Arbutin; 2-O-(3,4-Dihydroxy-E-cinnamoyl) C21H22O10 434.121296 NA MeJP NA NA +MJ062461 Arbutin; 4-O-(3,4-Dihydroxy-E-cinnamoyl) C21H22O10 434.121296 NA MeJP NA NA +MJ062462 Fluoraphin C21H22O10 434.121296 NA MeJP NA NA +MJ062463 Hemiphloin C21H22O10 434.121296 NA MeJP NA NA +MJ062464 Phyllodulcin, O-De-Me, 3'-O-?-D-glucopyranoside C21H22O10 434.121296 NA MeJP NA NA +MetaCyc03552 butein 4'-glucoside [coreopsin;] C21H22O10 434.121297 NA metacyc NA NA +MetaCyc03553 prunin [naringenin 7-O-β-D-glucoside;] C21H22O10 434.121297 NA metacyc NA NA +C09099 Naringenin 7-O-beta-D-glucoside C21H22O10 434.1213 NA KEGG NA NA +C16406 Phlorizin chalcone C21H22O10 434.1213 NA KEGG NA NA +C16407 2',4,4',6'-Tetrahydroxychalcone 4'-O-glucoside C21H22O10 434.1213 NA KEGG NA NA +C16492 8-C-Glucosylnaringenin C21H22O10 434.1213 NA KEGG NA NA +PJ001385 GDDE C15H22N4O11 434.1285 NA PeJP NA NA +MJ062465 Cortinarius C16H26N4O6S2 Disulfide C16H26N4O6S2 434.129375 NA MeJP NA NA +FL3FALNR0009 Artobiloxanthone;8,9-Dihydro-6,10,11,13-tetrahydroxy-3,3-dimethyl-9-(1-methylethenyl)-3H,7H-benzo[c]pyrano[3,2-h]xanthen-7-one C25H22O7 434.13655 121748-25-2 knapsack NA NA +FL3FRNND0001 Cycloartobiloxanthone;5a,6-Dihydro-1,3,8-trihydroxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one C25H22O7 434.13655 121748-26-3 knapsack NA NA +FL5FCBNC0001 Haplopappin A C25H22O7 434.13655 99631-88-6 knapsack NA NA +FL5FDBNC0001 Haplopappin C25H22O7 434.13655 99631-87-5 knapsack NA NA +MJ062466 3,4',5,7-Tetrahydroxy-8-[1-(4-hydroxyphenyl)ethyl]flavone, 3,4'-Di-Me ether C25H22O7 434.136553 NA MeJP NA NA +MJ062467 3,4',5,7-Tetrahydroxy-8-[1-(4-hydroxyphenyl)ethyl]flavone, 4',7-Di-Me ether C25H22O7 434.136553 NA MeJP NA NA +MJ062468 Artobiloxanthone C25H22O7 434.136553 NA MeJP NA NA +MJ062469 Cudraflavone A; 5'-Hydroxy C25H22O7 434.136553 NA MeJP NA NA +MJ062470 Cycloartobiloxanthone C25H22O7 434.136553 NA MeJP NA NA +MJ062471 Dihydrofuranoartobilochromene a C25H22O7 434.136553 NA MeJP NA NA +MJ062472 Dihydrofuranoartobilochromene b1 C25H22O7 434.136553 NA MeJP NA NA +MJ062473 Euchretin G C25H22O7 434.136553 NA MeJP NA NA +MJ062474 Euchretin H C25H22O7 434.136553 NA MeJP NA NA +MJ062475 Antibiotic BLP 1654 C18H22N6O5S 434.137238 NA MeJP NA NA +MJ062476 1,2,4-Benzenetriol; 2-Me ether, 4-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C18H26O12 434.142426 NA MeJP NA NA +MJ062477 1,2-Benzenediol; Di-O-?-D-glucopyranoside C18H26O12 434.142426 NA MeJP NA NA +MJ062478 10-Hydroxyoleoside, Di-Me ester C18H26O12 434.142426 NA MeJP NA NA +MJ062479 Iditol, Hexa-Ac C18H26O12 434.142426 NA MeJP NA NA +PJ001386 DDW C19H22N4O8 434.1438 NA PeJP NA NA +MJ062480 18-Bromo-8,17,19-tricosatriene-4,6-diynoic acid, 16?-Hydroxy C23H31BrO3 434.145657 NA MeJP NA NA +PJ001387 SPCE C16H26N4O8S 434.1472 NA PeJP NA NA +MJ062481 5,6-Dihydroxy-7-protoilluden-14-al, 5-(3-Chloro-4,6-dihydroxy-2-methylbenzoyl) C23H27ClO6 434.149616 NA MeJP NA NA +MJ062482 Chaetoviridin C C23H27ClO6 434.149616 NA MeJP NA NA +FL1AUNGS0001 Neoraufuracin C22H26O9 434.15768 82358-46-1 knapsack NA NA +FL1CELNS0001 6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone C22H26O9 434.15768 93827-68-0 knapsack NA NA +FL1CHYNS0006 beta-Hydroxy-2,3,4,5,2',4',5'-heptamethoxychalcone C22H26O9 434.15768 112470-94-7 knapsack NA NA +FL1D1AGS0003 4'-O-Methyldavidioside C22H26O9 434.15768 65428-05-9 knapsack NA NA +FL2FELNS0001 5,6,7,2',3',4',5'-Heptamethoxyflavanone C22H26O9 434.15768 105801-22-7 knapsack NA NA +FL2FGGNS0002 5,6,7,8,3',4',5'-Heptamethoxyflavanone C22H26O9 434.15768 119153-16-1 knapsack NA NA +MJ062483 1,10:2,3-Diepoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(4-Acetoxy-2-methyl-2Z-butenoyl) C22H26O9 434.157682 NA MeJP NA NA +MJ062484 1,10:2,3-Diepoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide; 8-(2-Acetoxymethyl-2Z-butenoyl) C22H26O9 434.157682 NA MeJP NA NA +MJ062485 1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(3-Methyl-2-butenoyl), 13-Ac C22H26O9 434.157682 NA MeJP NA NA +MJ062486 1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-Angeloyl, 13-Ac C22H26O9 434.157682 NA MeJP NA NA +MJ062487 1,2:3,4-Diepoxy-8,10-dihydroxy-11(13)-guaien-12,6-olide, 8-(3-Acetoxy-2-methyl-2E-butenoyl) C22H26O9 434.157682 NA MeJP NA NA +MJ062488 1,5,8,9-Tetrahydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 9-Ac C22H26O9 434.157682 NA MeJP NA NA +MJ062489 1-(2,3,4,5-Tetrahydroxyphenyl)-3-(2,4,5-trihydroxyphenyl)-1,3-propanedione; Hepta-Me ether C22H26O9 434.157682 NA MeJP NA NA +MJ062490 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone; 4'-Me ether, 2'-O-?-D-glucopyranoside C22H26O9 434.157682 NA MeJP NA NA +MJ062491 10,14-Epoxy-2,8,9-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Acetoxymethyl-2E-butenoyl) C22H26O9 434.157682 NA MeJP NA NA +MJ062492 2',3',4',5,5',6,7-Heptahydroxyflavanone, Hepta-Me ether C22H26O9 434.157682 NA MeJP NA NA +MJ062493 2',7-Dihydroxy-4'-methoxyisoflavan, 7-O-?-D-Glucopyranoside C22H26O9 434.157682 NA MeJP NA NA +MJ062494 2,2',3,3',4,4',5,6'-Octahydroxychalcone; 2,2',3,3',4,4',5-Hepta-Me ether C22H26O9 434.157682 NA MeJP NA NA +MJ062495 2,3-Epoxy-4,8,13,14-tetrahydroxy-1(10),5,7(11)-germacratrien-12,6-olide, 8-Angeloyl, 13-Ac C22H26O9 434.157682 NA MeJP NA NA +MJ062496 2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Angeloyl, 13-Ac C22H26O9 434.157682 NA MeJP NA NA +MJ062497 3',4',5,5',6,7,8-Heptahydroxyflavanone, Hepta-Me ether C22H26O9 434.157682 NA MeJP NA NA +MJ062498 3,4-Epoxy-2,5,8,9-tetrahydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-Angeloyl, 2-Ac C22H26O9 434.157682 NA MeJP NA NA +MJ062499 3,4:10,14-Diepoxy-2,5,8-trihydroxy-11(13)-guaien-12,6-olide, 8-Angeloyl, 2-Ac C22H26O9 434.157682 NA MeJP NA NA +MJ062500 3,4:10,14-Diepoxy-2,8-dihydroxy-11(13)-guaien-12,6-olide, 8-O-(4-Acetoxy-2-methyl-2Z-butenoyl) C22H26O9 434.157682 NA MeJP NA NA +MJ062501 3,6-Dihydroxy-2-[2-(4-hydroxyphenyl)ethyl]acetophenone; 6-O-?-D-Glucopyranoside C22H26O9 434.157682 NA MeJP NA NA +MJ062502 4,4',7-Trihydroxyflavan, 4-Me ether, 7-O-?-D-glucopyranoside C22H26O9 434.157682 NA MeJP NA NA +MJ062503 4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-(2-Methylpropenoyl), 9-Ac, Me ester C22H26O9 434.157682 NA MeJP NA NA +MJ062504 8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Methylpropenoyl), 9-Ac, Me ester C22H26O9 434.157682 NA MeJP NA NA +MJ062505 8-Hydroxy-3,11(13)-guaiadiene-12,6:14,2-diolide, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl) (2S,3S-) C22H26O9 434.157682 NA MeJP NA NA +MJ062506 8-Hydroxysyringaresinol C22H26O9 434.157682 NA MeJP NA NA +MJ062507 ?,?-Diepoxypseudopterolide methanol adduct C22H26O9 434.157682 NA MeJP NA NA +MJ062508 Ciwujiatone C22H26O9 434.157682 NA MeJP NA NA +MJ062509 Daldinin C C22H26O9 434.157682 NA MeJP NA NA +MJ062510 Exfoliamycin C22H26O9 434.157682 NA MeJP NA NA +MJ062511 Nimbochalcin C22H26O9 434.157682 NA MeJP NA NA +C09401 Eleganin C22H26O9 434.1577 NA KEGG NA NA +C09469 Graminiliatrin C22H26O9 434.1577 NA KEGG NA NA +PJ001388 GNNM C15H26N6O7S 434.1584 NA PeJP NA NA +MJ062512 Glisolamide C20H26N4O5S 434.16239 NA MeJP NA NA +MJ062513 Niperotidine C20H26N4O5S 434.16239 NA MeJP NA NA +MJ062514 Bismurrayafoline A; 3-Aldehyde C28H22N2O3 434.163042 NA MeJP NA NA +MJ062515 Flupentixol C23H25F3N2OS 434.163968 NA MeJP NA NA +C11191 cis-(Z)-Flupenthixol C23H25F3N2OS 434.164 NA KEGG NA NA +C11192 Transferred to D02383 C23H25F3N2OS 434.164 NA KEGG NA NA +PJ001389 GTEE C16H26N4O10 434.1649 NA PeJP NA NA +PJ001390 GPMM C17H30N4O5S2 434.1658 NA PeJP NA NA +FL3FALNR0003 Cycloartocarpin;isoartocarpin C26H26O6 434.17293 04/09/5912 knapsack NA NA +FL3FALNR0006 Cycloartocarpin A C26H26O6 434.17293 156127-37-6 knapsack NA NA +FL5F1CNP0003 Macaflavone II C26H26O6 434.17293 102822-11-7 knapsack NA NA +FLIA1LNP0006 Mundulone C26H26O6 434.17293 481-94-7 knapsack NA NA +FLIAALNP0009 Auriculin;Auriculatin 4'-methyl ether C26H26O6 434.17293 30431-68-6 knapsack NA NA +FLIHBANP0001 Scandenin C26H26O6 434.17293 5084-00-4 knapsack NA NA +FLIHBANP0002 Lonchocarpic acid;Chandanin C26H26O6 434.17293 5490-47-1 knapsack NA NA +MJ062516 7-Acetyl-1-(3-acetyl-4-hydroxybenzoyl)-1,2,3,4-tetrahydro-4-hydroxy-2,2,4-trimethyldibenzofuran C26H26O6 434.172938 NA MeJP NA NA +MJ062517 Auriculatin; 4'-Me ether C26H26O6 434.172938 NA MeJP NA NA +MJ062518 Bulgarialactone A; 3,4-Didehydro C26H26O6 434.172938 NA MeJP NA NA +MJ062519 Cycloartocarpin C26H26O6 434.172938 NA MeJP NA NA +MJ062520 Flemiphilippinin C C26H26O6 434.172938 NA MeJP NA NA +MJ062521 Iryantherin A C26H26O6 434.172938 NA MeJP NA NA +MJ062522 Lonchocarpic acid C26H26O6 434.172938 NA MeJP NA NA +MJ062523 Macaflavone I; 3-Me ether C26H26O6 434.172938 NA MeJP NA NA +MJ062524 Mundulone C26H26O6 434.172938 NA MeJP NA NA +MJ062525 Parvisoflavone B; 2'-Me ether, 4'-O-(3-methyl-2-butenyl) C26H26O6 434.172938 NA MeJP NA NA +MJ062526 Rocaglatic acid; Decarboxy C26H26O6 434.172938 NA MeJP NA NA +MJ062527 Scandenin C26H26O6 434.172938 NA MeJP NA NA +PJ001391 SSNQ C15H26N6O9 434.1761 NA PeJP NA NA +PJ001392 GGGGST C15H26N6O9 434.1762 NA PeJP NA NA +MJ062528 Antibiotic L 654040 C20H26N4O7 434.180149 NA MeJP NA NA +PJ001393 TEW C20H26N4O7 434.1802 NA PeJP NA NA +PJ001394 GVEM C17H30N4O7S 434.1835 NA PeJP NA NA +MJ062529 Antibiotic RP 1551-2 C24H31ClO5 434.186001 NA MeJP NA NA +MJ062530 1,10:4,5:8,12-Triepoxy-6,9-dihydroxy-7,11-germacradien-15-oic acid, 9-Ac, cyclohexyl ester C23H30O8 434.194067 NA MeJP NA NA +MJ062531 1,5,6,7-Tetrahydroxy-17-vouacapanoic acid, 1-Ketone, 6-Ac, Me ester C23H30O8 434.194067 NA MeJP NA NA +MJ062532 1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 14-(2-Methylpropenoyl), 1,6-di-Ac C23H30O8 434.194067 NA MeJP NA NA +MJ062533 2,4,8,13-Tetrahydroxy-1(10),5,7(11)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), O13-Et, 2-Ac C23H30O8 434.194067 NA MeJP NA NA +MJ062534 3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,4-Methylene,3',4',5,5'-tetra-Me ether C23H30O8 434.194067 NA MeJP NA NA +MJ062535 3,6-Epoxy-3,8-dihydroxy-10-oxo-4,6,12,15-cembratetraene-18,20-dioic acid, 3-Me ether, di-Me ester C23H30O8 434.194067 NA MeJP NA NA +MJ062536 4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2-Hydroxymethylpropenoyl), 8-(2-methylpropanoyl) C23H30O8 434.194067 NA MeJP NA NA +MJ062537 7-Protoilludene-1,5,6,9,14-pentol, 5-(2,4-Dihydroxy-6-methylbenzoyl) C23H30O8 434.194067 NA MeJP NA NA +MJ062538 8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl), 9-(2-hydroxy-2-methylpropanoyl) C23H30O8 434.194067 NA MeJP NA NA +MJ062539 Cluytene E C23H30O8 434.194067 NA MeJP NA NA +MJ062540 Gracilin B; 12-Deacetyl, 12-propanoyl C23H30O8 434.194067 NA MeJP NA NA +MJ062541 Ligulaverin C; 4'-Hydroxy, 19-de-Ac C23H30O8 434.194067 NA MeJP NA NA +MJ062542 Mandapamate C23H30O8 434.194067 NA MeJP NA NA +MJ062543 Myristicanol A C23H30O8 434.194067 NA MeJP NA NA +MJ062544 Sakuraresinol; 3'-Demethoxy C23H30O8 434.194067 NA MeJP NA NA +PJ001395 EMR C16H30N6O6S 434.1948 NA PeJP NA NA +PJ001396 VMW C21H30N4O4S 434.1988 NA PeJP NA NA +PJ001397 SSLE C17H30N4O9 434.2013 NA PeJP NA NA +PJ001398 AAHH C18H26N8O5 434.2026 NA PeJP NA NA +3199 chymotrypsin inhibitor PGVY 434.204 celiac toxic Inhouse_peptide NA peptide +MJ062545 11,19-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 19-(4-Hydroxybenzoyl) C27H30O5 434.209324 NA MeJP NA NA +MJ062546 2,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 2?-form, 2-(4-Hydroxybenzoyl) C27H30O5 434.209324 NA MeJP NA NA +MJ062547 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 5-Deoxy, 3',4'-di-Me ether C27H30O5 434.209324 NA MeJP NA NA +MJ062548 Achlisocoumarin II; 1',2'-Dihydro C27H30O5 434.209324 NA MeJP NA NA +MJ062549 Betamethasone; 21-Ac C24H31FO6 434.210466 NA MeJP NA NA +MJ062550 Dexamethasone; 21-Ac C24H31FO6 434.210466 NA MeJP NA NA +MJ062551 Flunisolide C24H31FO6 434.210466 NA MeJP NA NA +MJ062552 Fluperolone; 21-Ac C24H31FO6 434.210466 NA MeJP NA NA +MJ062553 Paramethasone; 21-Ac C24H31FO6 434.210466 NA MeJP NA NA +MJ062554 Triamcinolone; 16,17-Acetone ketal C24H31FO6 434.210466 NA MeJP NA NA +C07005 Flunisolide C24H31FO6 434.2105 NA KEGG NA NA +C08174 Dexamethasone acetate anhydrous C24H31FO6 434.2105 NA KEGG NA NA +C08175 Transferred to D00975 C24H31FO6 434.2105 NA KEGG NA NA +C08183 Triamcinolone acetonide C24H31FO6 434.2105 NA KEGG NA NA +C12656 Paramethasone acetate C24H31FO6 434.2105 NA KEGG NA NA +C12657 Transferred to D01230 C24H31FO6 434.2105 NA KEGG NA NA +C12658 Transferred to D01231 C24H31FO6 434.2105 NA KEGG NA NA +C12659 Transferred to D01232 C24H31FO6 434.2105 NA KEGG NA NA +C12660 Transferred to D01233 C24H31FO6 434.2105 NA KEGG NA NA +C14625 9alpha-Fluoro-6alpha-methylprednisolone 21-acetate C24H31FO6 434.2105 NA KEGG NA NA +MJ062555 Chlorbenzoxamine C27H31ClN2O 434.212491 NA MeJP NA NA +PJ001399 SSNK C16H30N6O8 434.2125 NA PeJP NA NA +MJ062556 Sclerothricin C16H30N6O8 434.212511 NA MeJP NA NA +3535 ACE inhibitor YPR 434.216 ACE inhibitor Inhouse_peptide NA peptide +3536 ACE inhibitor PRY 434.216 ACE inhibitor Inhouse_peptide NA peptide +PJ001400 GPVY C21H30N4O6 434.2166 NA PeJP NA NA +PJ001401 ATLM C18H34N4O6S 434.2199 NA PeJP NA NA +3627 NA FRAEHPL 434.221 MH2+ Inhouse_peptide NA peptide +3568 NA QSEPKAIP 434.2255 MH2+ Inhouse_peptide NA peptide +PJ001402 PRY C20H30N6O5 434.2278 NA PeJP NA NA +MJ062557 1,2,5,14-Vouacapanetetrol, 1,2-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062558 15,17-Epoxy-6,17-dihydroxy-16-spongianone, Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062559 16-Kaurene-1,3,6,11,15-pentol, 15-Ketone, 1,11-di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062560 16-Kaurene-1,3,6,11,15-pentol, 6-Ketone, 1,3-di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062561 16-Kaurene-1,3,6,11,15-pentol, 15-Ketone, 1,3-di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062562 16-Kaurene-3,6,7,11,15-pentol, 15-Ketone, 3,6-di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062563 16-Kaurene-3,6,7,11,15-pentol, 15-Ketone, 3,7-di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062564 16-Kaurene-3,6,7,11,15-pentol, 6-Ketone, 7,11-di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062565 2,3,11,13-Tetrahydroxy-16-kauren-15-one, 2,3-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062566 2,3,19-Trihydroxy-7-labden-15-oic acid, 13E,14-Didehydro, 19-aldehyde, di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062567 2,3,6,11-Tetrahydroxy-16-kauren-15-one, 2,3-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062568 2,3,6,11-Tetrahydroxy-16-kauren-15-one, 3,6-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062569 2,3,6,11-Tetrahydroxy-16-kauren-15-one, 3,11-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062570 2,3,7,14-Tetrahydroxy-16-kauren-15-one, 2,3-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062571 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 9,10-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062572 2,6,19-Trihydroxy-8,13-labdadien-15,16-olide, 6,19-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062573 2,9,10,20-Tetrahydroxy-4,11-taxadien-13-one, 9,10-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062574 2,9:3,16-Diepoxy-7(19)-asbestinene-4,6,11-triol, 6-Ketone, 4,11-di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062575 3,4-Epoxy-6,13-dihydroxy-14-cleroden-20,12-olide, Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062576 3,4-Epoxy-7,13-dihydroxy-8(19),15(17)-cembradien-16,14-olide, Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062577 3,4-Epoxy-8,13-dihydroxy-6,15(17)-cembradien-16,14-olide, Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062578 3,5,11,14,19-Pentahydroxybufa-20,22-dienolide C24H34O7 434.230453 NA MeJP NA NA +MJ062579 4,18-Epoxy-6,19-dihydroxy-13-cleroden-16,15-olide, 6,19-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062580 4,18:11,16:15,16-Triepoxy-14-clerodene-6,19-diol, Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062581 4,18:15,16-Diepoxy-13(16),14-clerodadiene-6,12,19-triol, 6,19-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062582 6,7,12,16-Tetrahydroxy-8,12-abietadiene-11,14-dione, 7-Et ether, 16-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062583 7,11,13,19-Tetrahydroxy-16-kauren-15-one, 11,19-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062584 7,11,14-Trihydroxy-12-spongien-16-one, 7,11-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062585 7,11-Dihydroxy-16-oxo-17-spongianal, Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062586 7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 1,6-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062587 7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 6,15-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062588 7,20-Epoxy-16-kaurene-6,7,14,15-tetrol, 6,15-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062589 9,11-Epoxy-1,2,6-trihydroxy-15-kauranone, 1,2-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062590 9,13:15,16-Diepoxy-8,19-dihydroxy-14-labden-7-one, 8,19-Di-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062591 Alcyonolide 3 C24H34O7 434.230453 NA MeJP NA NA +MJ062592 Cadlinolide B; 12-Acetoxy, 16-Ac(16?-) C24H34O7 434.230453 NA MeJP NA NA +MJ062593 Dendrillolide A; 12?-Acetoxy C24H34O7 434.230453 NA MeJP NA NA +MJ062594 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-O-?-D-Glucopyranoside C24H34O7 434.230453 NA MeJP NA NA +MJ062595 Karatavicinol; 6',7'-Dihydro, 6',7-dihydroxy C24H34O7 434.230453 NA MeJP NA NA +MJ062596 Nigakilactone A; 12-Me ether, 11-Ac C24H34O7 434.230453 NA MeJP NA NA +MJ062597 Norrlandin C24H34O7 434.230453 NA MeJP NA NA +MJ062598 Shahamin F; 12?-Acetoxy C24H34O7 434.230453 NA MeJP NA NA +MJ062599 Thuridillin C C24H34O7 434.230453 NA MeJP NA NA +C03019 Phorbol 13-butanoate C24H34O7 434.2305 NA KEGG NA NA +C03021 Protein asparagine C5H7N3O3R2 434.2305 NA KEGG NA NA +C03022 Protein L-citrulline C7H12N4O3R2 434.2305 NA KEGG NA NA +C03023 Peptide-L-methionine C6H10N2O2SR2 434.2305 NA KEGG NA NA +C03024 Reduced flavoprotein C6H10N2O2SR2 434.2305 NA KEGG NA NA +C03025 Reduced plastocyanin C6H10N2O2SR2 434.2305 NA KEGG NA NA +C09058 Ajugarin I C24H34O7 434.2305 NA KEGG NA NA +C09075 Clerodin C24H34O7 434.2305 NA KEGG NA NA +C17029 Nigakilactone C C24H34O7 434.2305 NA KEGG NA NA +C05730 Glutathionylspermidine C17H34N6O5S 434.2311 NA KEGG NA NA +MJ062600 Glutathionylspermidine C17H34N6O5S 434.231138 NA MeJP NA NA +MetaCyc03554 glutathionylspermidine [N1-(γ-L-glutamyl-L-cysteinyl-glycyl)-spermidine;] C17H34N6O5S1 434.231139 08/06/7783 metacyc NA NA +PJ001403 GCKK C17H34N6O5S 434.2312 NA PeJP NA NA +MJ062601 Bis(3-oxoundecyl) trisulfide C22H42O2S3 434.234692 NA MeJP NA NA +PJ001404 TTTL C18H34N4O8 434.2377 NA PeJP NA NA +C03630 Oleoylglycerone phosphate C21H39O7P 434.2433 NA KEGG NA NA +C03631 Oleoylphosphatidylcholine C27H51NO8PR 434.2433 NA KEGG NA NA +C03632 Oligosaccharide phosphate C16H28N2O14PR 434.2433 NA KEGG NA NA +C03633 Peptidylproline (omega=0) C6H8N2O2R2 434.2433 NA KEGG NA NA +HMDB07852 LPA(0:0/18:2(9Z,12Z)) C21H39O7P 434.243347 NA HMDB2010 NA NA +HMDB07856 LPA(18:2(9Z,12Z)/0:0) C21H39O7P 434.243347 NA HMDB2010 NA NA +MJ062602 Lincomycin; N,S-Di-de-Me, N,S-di-Et C20H38N2O6S 434.245057 NA MeJP NA NA +MJ062603 2,3-Dihydro-5,7-dihydroxy-2-(4,7,10,13,16-nonadecapentaenylidene)-4H-1-benzopyran-4-one C28H34O4 434.245709 NA MeJP NA NA +MJ062604 23-Oxoisotingenone C28H34O4 434.245709 NA MeJP NA NA +MJ062605 5,7-Dihydroxy-2-(4,7,10,13,16-nonadecapentaenyl)-4H-1-benzopyran-4-one C28H34O4 434.245709 NA MeJP NA NA +MJ062606 Balaenol; 22-Oxo C28H34O4 434.245709 NA MeJP NA NA +MJ062607 Crinatusins; Crinatusin A1 C28H34O4 434.245709 NA MeJP NA NA +MJ062608 Crinatusins; Crinatusin A2 C28H34O4 434.245709 NA MeJP NA NA +MJ062609 Grandone C28H34O4 434.245709 NA MeJP NA NA +MJ062610 Usambarensine; 19,20?-Dihydro C29H30N4 434.247046 NA MeJP NA NA +MJ062611 Usambarensine; 3',4'-Dihydro C29H30N4 434.247046 NA MeJP NA NA +MJ062612 Fortimicin B; O-De-Me, 2'-N-(N-carbamoylglycyl) C17H34N6O7 434.248897 NA MeJP NA NA +MJ062613 Fortimicin C C17H34N6O7 434.248897 NA MeJP NA NA +MJ062614 1,4,6,11-Eudesmanetetrol, 6-O-?-D-Glucopyranoside C21H38O9 434.251582 NA MeJP NA NA +PJ001405 GVLF C22H34N4O5 434.2529 NA PeJP NA NA +PJ001406 LFR C21H34N6O4 434.2642 NA PeJP NA NA +MJ062615 1,4,6,10-Farnesatetraene-3,9-diol; 10,11-Dihydro, 10,11-dihydroxy, 9,10-diangeloyl C25H38O6 434.266838 NA MeJP NA NA +MJ062616 1,4,6,10-Farnesatetraene-3,9-diol; 10,11-Dihydro, 10,11-dihydroxy, 9,10-ditigloyl C25H38O6 434.266838 NA MeJP NA NA +MJ062617 1,4,6,10-Farnesatetraene-3,9-diol; 10,11-Dihydro, 10,11-dihydroxy, 9-angeloyl, 10-tigloyl C25H38O6 434.266838 NA MeJP NA NA +MJ062618 11,12-Epoxy-7-drimene-2,3,11-triol, 2-Angeloyl, 3-(2-methylbutanoyl) C25H38O6 434.266838 NA MeJP NA NA +MJ062619 12,16,17-Trihydroxy-19-kauranoic acid, 17-Angeloyl C25H38O6 434.266838 NA MeJP NA NA +MJ062620 15-Hydroxy-16-kauren-19-oic acid, 2,3-Dihydroxy-2-methylbutanoyl C25H38O6 434.266838 NA MeJP NA NA +MJ062621 3-Hydroxy-7-oxo-13(15)-cassen-16-oic acid, 3-O-(2-Hydroxy-2-methylbutanoyl) C25H38O6 434.266838 NA MeJP NA NA +MJ062622 4(20),11-Taxadiene-2,5,10,14-tetrol, 14-Propanoyl, 2-Ac C25H38O6 434.266838 NA MeJP NA NA +MJ062623 7,13-Thyrsifloranediol, 13-Malonyl, 7-Ac C25H38O6 434.266838 NA MeJP NA NA +MJ062624 7,17-Dihydroxy-15,16-isocopalanedioic acid; 7?-form, 15?17-Lactone, 7-butanoyl, Me ester C25H38O6 434.266838 NA MeJP NA NA +MJ062625 8,9,10-Trihydroxy-5-longipinanone, 8-Angeloyl, 9-(3-methylbutanoyl) C25H38O6 434.266838 NA MeJP NA NA +MJ062626 8,9,10-Trihydroxy-5-longipinanone, 10-Angeloyl, 9-(2-methylbutanoyl) C25H38O6 434.266838 NA MeJP NA NA +MJ062627 8-Daucene-2,4,6,10-tetrol, 2,6-Diangeloyl C25H38O6 434.266838 NA MeJP NA NA +MJ062628 8-Daucene-2,4,6,10-tetrol, 6,10-Diangeloyl C25H38O6 434.266838 NA MeJP NA NA +MJ062629 9,15-Dihydroxy-16-kauren-19-oic acid, 15-(3-Hydroxy-2-methylbutanoyl) C25H38O6 434.266838 NA MeJP NA NA +MJ062630 Antibiotic CJ 14258 C25H38O6 434.266838 NA MeJP NA NA +MJ062631 Clibadic acid C25H38O6 434.266838 NA MeJP NA NA +MJ062632 Colupdol C25H38O6 434.266838 NA MeJP NA NA +MJ062633 Erinacine C C25H38O6 434.266838 NA MeJP NA NA +MJ062634 Fukinolidiol; 1,9-Bis(3-methylbutanoyl) C25H38O6 434.266838 NA MeJP NA NA +MJ062635 Fukinolidiol; 1-(2-Methylbutanoyl), 9-(3-methylbutanoyl) C25H38O6 434.266838 NA MeJP NA NA +MJ062636 Murrayanolide C25H38O6 434.266838 NA MeJP NA NA +MJ062637 O-Demethylstriatin C; 10,29-DIdeoxy, 11,12?-dihydro C25H38O6 434.266838 NA MeJP NA NA +MJ062638 Rasfonin C25H38O6 434.266838 NA MeJP NA NA +MJ062639 Secopseudopterosin A C25H38O6 434.266838 NA MeJP NA NA +MJ062640 Antibiotic SU; Antibiotic SU4 C19H38N4O7 434.274049 NA MeJP NA NA +MJ062641 Alfileramine; Na,Nb-Di-de-Me C28H38N2O2 434.293328 NA MeJP NA NA +MJ062642 Butoprozine C28H38N2O2 434.293328 NA MeJP NA NA +MJ062643 Isoalfileramine; Na,Nb-Di-de-Me C28H38N2O2 434.293328 NA MeJP NA NA +MJ062644 22-Chlorocholesta-8,14-diene-3,23-diol C27H43ClO2 434.295158 NA MeJP NA NA +MJ062645 7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-angeloyl, Me ester C26H42O5 434.303224 NA MeJP NA NA +MJ062646 Stolonic acid A C26H42O5 434.303224 NA MeJP NA NA +MJ062647 4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,28-diol, 12,13-Dihydro(Z-) C30H42O2 434.31848 NA MeJP NA NA +MJ062648 4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,28-diol, 4,5-Dihydro C30H42O2 434.31848 NA MeJP NA NA +MJ062649 4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,28-diol, 12,13-Dihydro(Z-) C30H42O2 434.31848 NA MeJP NA NA +MJ062650 4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,28-diol, 4,5-Dihydro C30H42O2 434.31848 NA MeJP NA NA +MJ062651 8,8'-Bis(7-hydroxycalamenene) C30H42O2 434.31848 NA MeJP NA NA +MJ062652 ?-Citraurol C30H42O2 434.31848 NA MeJP NA NA +MJ062653 Bicalamenene C30H42O2 434.31848 NA MeJP NA NA +MJ062654 Citrullonol C30H42O2 434.31848 NA MeJP NA NA +MJ062655 Myltalorione A C30H42O2 434.31848 NA MeJP NA NA +MJ062656 Plagiospirolide E C30H42O2 434.31848 NA MeJP NA NA +MJ062657 ?-Citraurinol C30H42O2 434.31848 NA MeJP NA NA +MJ062658 2-Hexaprenyl-6-hydroxyphenol C30H42O2 434.31848 NA MeJP NA NA +HMDB00359 3a,7a-Dihydroxycoprostanic acid C27H46O4 434.3396 http://www.hmdb.ca/metabolites/HMDB00359 HMDB NA NA +HMDB03533 3a,7a,12a-Trihydroxy-5b-cholestan-26-al C27H46O4 434.3396 http://www.hmdb.ca/metabolites/HMDB03533 HMDB NA NA +HMDB06263 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al C27H46O4 434.3396 http://www.hmdb.ca/metabolites/HMDB06263 HMDB NA NA +C01301 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al C27H46O4 434.3396 NA KEGG NA NA +C04554 3alpha,7alpha-Dihydroxy-5beta-cholestanate C27H46O4 434.3396 NA KEGG NA NA +HMDB00359 3a,7a-Dihydroxycoprostanic acid C27H46O4 434.3396 HMDB00359 PFEM_hmdb_metabocards_official NA NA +HMDB03533 3a,7a,12a-Trihydroxy-5b-cholestan-26-al C27H46O4 434.3396 HMDB03533 PFEM_hmdb_metabocards_official NA NA +HMDB06263 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al C27H46O4 434.3396 HMDB06263 PFEM_hmdb_metabocards_official NA NA +HMDB00359 3a,7a-Dihydroxycoprostanic acid C27H46O4 434.3396 NA HMDB2010 NA NA +HMDB03533 3a,7a,12a-Trihydroxy-5b-cholestan-26-al C27H46O4 434.3396 NA HMDB2010 NA NA +MJ062659 24,26-Epoxycholestane-3,7,12-triol C27H46O4 434.339609 NA MeJP NA NA +MJ062660 26,27-Epoxycholestane-3,7,12-triol C27H46O4 434.339609 NA MeJP NA NA +MJ062661 3,7-Dihydroxycholestan-26-oic acid C27H46O4 434.339609 NA MeJP NA NA +MJ062662 3-(3,4-Dihydroxyphenyl)-1-propanol; 1-O-Octadecanoyl C27H46O4 434.339609 NA MeJP NA NA +MJ062663 9,10-Secocholesta-5,7-diene-3,23,25,26-tetrol C27H46O4 434.339609 NA MeJP NA NA +MJ062664 Cholest-5-ene-2,3,16,18-tetrol C27H46O4 434.339609 NA MeJP NA NA +MJ062665 Cholest-5-ene-3,14,16,22-tetrol C27H46O4 434.339609 NA MeJP NA NA +MJ062666 Cholest-5-ene-3,7,15,18-tetrol C27H46O4 434.339609 NA MeJP NA NA +MJ062667 Cholest-5-ene-3,7,9,19-tetrol C27H46O4 434.339609 NA MeJP NA NA +MJ062668 Cholest-7-ene-3,5,6,9-tetrol C27H46O4 434.339609 NA MeJP NA NA +MJ062669 Furostane-1,3,26-triol C27H46O4 434.339609 NA MeJP NA NA +MJ062670 Xestin A C27H46O4 434.339609 NA MeJP NA NA +MJ062671 3alpha,7alpha-Dihydroxy-5beta-cholestanate C27H46O4 434.33961 NA MeJP NA NA +MetaCyc03555 3-α,7-α-dihydroxy-5-β-cholestanate [3-α,7-α-dihydroxy-5-β-cholestanoate;] C27H46O4 434.33961 NA metacyc NA NA +MetaCyc03556 3-α,7-α,12-α-trihydroxy-5-β-cholestan-26-al [] C27H46O4 434.33961 NA metacyc NA NA +MJ062672 1-(3,5-Dimethylphenyl)-3,5,7-eicosanetriol C28H50O3 434.375995 NA MeJP NA NA +MJ062673 24-Methyl-5,6-secocholest-7-ene-3,5,6-triol C28H50O3 434.375995 NA MeJP NA NA +MJ062674 3,7-Dimethyl-1,6-octadiene-3,4-diol, 4-(9-Octadecenoyl)(Z-) C28H50O3 434.375995 NA MeJP NA NA +MJ062675 Taiwaniasterol D C28H50O3 434.375995 NA MeJP NA NA +MetaCyc03557 6-deoxotyphasterol [deoxotyphasterol;] C28H50O3 434.375995 NA metacyc NA NA +MetaCyc03558 6-deoxoteasterone [deoxoteasterone;] C28H50O3 434.375995 NA metacyc NA NA +C15799 6-Deoxoteasterone C28H50O3 434.376 NA KEGG NA NA +C15801 6-Deoxotyphasterol C28H50O3 434.376 NA KEGG NA NA +MJ062676 20-Nonacosene-2,4-dione C29H54O2 434.41238 NA MeJP NA NA +MJ062677 22-Methyl-5,9-octacosadienoic acid C29H54O2 434.41238 NA MeJP NA NA +MJ062678 26-Methyl-5,9-octacosadienoic acid C29H54O2 434.41238 NA MeJP NA NA +MJ062679 27-Methyl-5,9-octacosadienoic acid C29H54O2 434.41238 NA MeJP NA NA +MJ062680 2-Tridecyl-2-heptadecenal C30H58O 434.448766 NA MeJP NA NA +MJ062681 10-Hentriacontene C31H62 434.485151 NA MeJP NA NA +MJ062682 11-Hentriacontene C31H62 434.485151 NA MeJP NA NA +MJ062683 12-Hentriacontene C31H62 434.485151 NA MeJP NA NA +MJ062684 13-Hentriacontene C31H62 434.485151 NA MeJP NA NA +MJ062685 14-Hentriacontene C31H62 434.485151 NA MeJP NA NA +MJ062686 15-Hentriacontene C31H62 434.485151 NA MeJP NA NA +MJ062687 3-Hentriacontene C31H62 434.485151 NA MeJP NA NA +MJ062688 7-Hentriacontene C31H62 434.485151 NA MeJP NA NA +MJ062689 8-Hentriacontene C31H62 434.485151 NA MeJP NA NA +MJ062690 9-Hentriacontene C31H62 434.485151 NA MeJP NA NA +C15639 CITCO C19H12Cl3N3OS 434.9767 NA KEGG NA NA +MJ062691 Technetium ethylenedicysteine, Di-Et ester C12H21N2O5S2Tc 434.996403 NA MeJP NA NA +MJ062692 4-(Methylthio)-3-butenyl glucosinolate; S-Oxide C12H21NO10S3 435.032757 NA MeJP NA NA +C08420 Glucoraphenin C12H21NO10S3 435.0328 NA KEGG NA NA +MJ062693 1,1,1,15,15,15-Hexachloro-3,12-pentadecadiyn-8-amine, 15-Dechloro, 3,3,4,4-tetrahydro, N-Ac C17H26Cl5NO 435.045702 NA MeJP NA NA +MJ062694 Aztreonam C13H17N5O8S2 435.051853 NA MeJP NA NA +C06840 Aztreonam C13H17N5O8S2 435.0519 NA KEGG NA NA +C06841 Transferred to D00241 C13H17N5O8S2 435.0519 NA KEGG NA NA +MJ062695 N-(4-Bromophenyl)-3-oxo-4,5-diphenyl-1-pyrazolidinecarboxamide C22H18BrN3O2 435.058239 NA MeJP NA NA +MJ062696 Cloxacillin C19H18ClN3O5S 435.065569 NA MeJP NA NA +C06923 Cloxacillin C19H18ClN3O5S 435.0656 NA KEGG NA NA +C08401 Glucoberteroin C13H25NO9S3 435.0691 NA KEGG NA NA +MJ062697 5-(Methylthio)pentyl glucosinolate C13H25NO9S3 435.069143 NA MeJP NA NA +MJ062698 2,5-Bis[(2-amino-2-carboxyethyl)thio]-3-hydroxytyrosine C15H21N3O8S2 435.077006 NA MeJP NA NA +MJ062699 Lodiperone C21H20Cl2FN3O2 435.09166 NA MeJP NA NA +FL7AAGGS0001 Delphinidin 3-arabinoside C20H19O11 435.09273 28500-01-8 knapsack NA NA +PJ001407 PCCN C15H25N5O6S2 435.1246 NA PeJP NA NA +PJ001408 GGPCC C15H25N5O6S2 435.1247 NA PeJP NA NA +MJ062700 Anthracyclinone blue B; 12-Deoxy C24H21NO7 435.131802 NA MeJP NA NA +PJ001409 GNDM C15H25N5O8S 435.1424 NA PeJP NA NA +MJ062701 Tiamdipine C20H25N3O6S 435.146406 NA MeJP NA NA +PJ001410 CQW C19H25N5O5S 435.1577 NA PeJP NA NA +MJ062702 Exatecan C24H22FN3O4 435.159434 NA MeJP NA NA +PJ001411 SSNE C15H25N5O10 435.1602 NA PeJP NA NA +MJ062703 Gerambullal; 1-Hydroxy C22H29NO6S 435.171558 NA MeJP NA NA +MJ062704 Gerambullin; 12-Hydroxy, 5'-oxo C22H29NO6S 435.171558 NA MeJP NA NA +MJ062705 Trichanthin A; 4'-Deoxy, 2',3'-dihydro C22H29NO6S 435.171558 NA MeJP NA NA +PJ001412 GSSW C19H25N5O7 435.1754 NA PeJP NA NA +PJ001413 GTQM C16H29N5O7S 435.1788 NA PeJP NA NA +MJ062706 Novacine; N-De-Me, N-cyano C24H25N3O5 435.17942 NA MeJP NA NA +MJ062707 3-[4-[4-(6-Fluorobenzo[b]thien-3-yl)-1-piperazinyl]butyl]-2,5,5-trimethyl-4-thiazolidinone C22H30FN3OS2 435.181432 NA MeJP NA NA +MJ062708 Uvarindole A C29H25NO3 435.183443 NA MeJP NA NA +MJ062709 5'-Hydroxymethylcytomycin C18H25N7O6 435.186631 NA MeJP NA NA +MJ062710 Ipanguline D3; 2''-Epimer, 7-O-(2-hydroxybenzoyl), 3''-Ac C22H29NO8 435.189316 NA MeJP NA NA +MJ062711 Ipanguline D3; 7-O-(2-Hydroxybenzoyl), 3''-Ac C22H29NO8 435.189316 NA MeJP NA NA +PJ001414 GTCR C15H29N7O6S 435.19 NA PeJP NA NA +MJ062712 Neoxaline C23H25N5O4 435.190654 NA MeJP NA NA +PJ001415 CKW C20H29N5O4S 435.194 NA PeJP NA NA +PJ001416 SSDK C16H29N5O9 435.1965 NA PeJP NA NA +MJ062713 Heimine C26H29NO5 435.204573 NA MeJP NA NA +MJ062714 Verticillatine; 5-Epimer, O21-Me C26H29NO5 435.204573 NA MeJP NA NA +MJ062715 Verticillatine; O21-Me C26H29NO5 435.204573 NA MeJP NA NA +MJ062716 Vertine C26H29NO5 435.204573 NA MeJP NA NA +C10585 Cryogenine C26H29NO5 435.2046 NA KEGG NA NA +PJ001417 SSSR C15H29N7O8 435.2078 NA PeJP NA NA +MJ062717 Melemeleone A C23H33NO5S 435.207943 NA MeJP NA NA +MJ062718 Melemeleone B C23H33NO5S 435.207943 NA MeJP NA NA +MJ062719 Trimazosin C20H29N5O6 435.211783 NA MeJP NA NA +PJ001418 AAQF C20H29N5O6 435.2118 NA PeJP NA NA +PJ001419 GTKM C17H33N5O6S 435.2152 NA PeJP NA NA +MJ062720 Cadabicine C25H29N3O4 435.215806 NA MeJP NA NA +PJ001420 NFR C19H29N7O5 435.223 NA PeJP NA NA +MJ062721 Tongolenine D C23H33NO7 435.225702 NA MeJP NA NA +MJ062722 Valsartan C24H29N5O3 435.227039 NA MeJP NA NA +MJ062723 Clofilium(1+); Phosphate (1:1) C21H39ClNO4P 435.230522 NA MeJP NA NA +PJ001421 STTK C17H33N5O8 435.2329 NA PeJP NA NA +MJ062724 Ancistrobrevine A C27H33NO4 435.240958 NA MeJP NA NA +MJ062725 Ancistrobrevine B; Epimer, 6-Me ether, N-Me C27H33NO4 435.240958 NA MeJP NA NA +MJ062726 Ancistrocladine; Stereoisomer, Me ether C27H33NO4 435.240958 NA MeJP NA NA +MJ062727 N-Benzoyl-4-(4-acetoxyneryloxy)phenethylamine C27H33NO4 435.240958 NA MeJP NA NA +MJ062728 Paxilline C27H33NO4 435.240958 NA MeJP NA NA +MJ062729 Sanguinine; O6-[(Adamantan-1-yl)]carbonyl C27H33NO4 435.240958 NA MeJP NA NA +C12342 Ancistrobrevine A C27H33NO4 435.241 NA KEGG NA NA +C13782 Paxilline C27H33NO4 435.241 NA KEGG NA NA +PJ001422 AAKF C21H33N5O5 435.2482 NA PeJP NA NA +MJ062730 Acophine C25H38ClNO3 435.254021 NA MeJP NA NA +MJ062731 Bicolorine; O14-Ac C24H37NO6 435.262087 NA MeJP NA NA +MJ062732 Bicolorine; O6-Ac C24H37NO6 435.262087 NA MeJP NA NA +MJ062733 Delpheline; O1-De-Me C24H37NO6 435.262087 NA MeJP NA NA +MJ062734 Delpheline; O14-De-Me C24H37NO6 435.262087 NA MeJP NA NA +MJ062735 Delpheline; O16-De-Me C24H37NO6 435.262087 NA MeJP NA NA +MJ062736 Delstaphinine C24H37NO6 435.262087 NA MeJP NA NA +MJ062737 Norerythrophlamide C24H37NO6 435.262087 NA MeJP NA NA +MJ062738 Norerythrophlamine C24H37NO6 435.262087 NA MeJP NA NA +MJ062739 Norerythrosuamide C24H37NO6 435.262087 NA MeJP NA NA +MJ062740 Nudicaulamine; O1-De-Me C24H37NO6 435.262087 NA MeJP NA NA +MJ062741 Virescenine; 18-Demethoxy, O14-Ac C24H37NO6 435.262087 NA MeJP NA NA +MJ062742 Gentamicin C; Gentamicin C1a, 3''-N-De-Me C18H37N5O7 435.269298 NA MeJP NA NA +MJ062743 Gentamicin C; Gentamicin C1a, 4''-Demethyl C18H37N5O7 435.269298 NA MeJP NA NA +MJ062744 7,18,19-Trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(12),13-diene-1,21-dione; 18,19-Dideoxy C28H37NO3 435.277344 NA MeJP NA NA +MJ062745 Haumanamide C28H37NO3 435.277344 NA MeJP NA NA +MJ062746 Paspaline B C28H37NO3 435.277344 NA MeJP NA NA +MJ062747 Ussuriedine; 6-Ketone, O18-Me C28H37NO3 435.277344 NA MeJP NA NA +MJ062748 4-[[2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide C27H37N3O2 435.288577 NA MeJP NA NA +MJ062749 Cassamine; 7?-Alcohol C25H41NO5 435.298473 NA MeJP NA NA +MJ062750 Norcassaidide; O3-Ac C25H41NO5 435.298473 NA MeJP NA NA +MJ062751 Talatizamine; O8-Me C25H41NO5 435.298473 NA MeJP NA NA +C16889 Pahutoxin C23H46NO4 435.3115 NA KEGG NA NA +C13806 Philanthotoxin 343 C23H41N5O3 435.3209 NA KEGG NA NA +MJ062752 Philanthotoxin 433 C23H41N5O3 435.32094 NA MeJP NA NA +MJ062753 Calicogorgin B C26H45NO4 435.334858 NA MeJP NA NA +MJ062754 Mycalazal 1; 7',8'-Dihydro C30H45NO 435.350115 NA MeJP NA NA +MJ062755 Alkaloid LV1 C29H45N3 435.361348 NA MeJP NA NA +2887 NA EVQKQLQ 435.731 MH2+ Inhouse_peptide NA peptide +MJ062756 Rubrolide E; 3'',5''-Dibromo C17H10Br2O4 435.894584 NA MeJP NA NA +MJ062757 Rubrolide E; 3',5'-Dibromo C17H10Br2O4 435.894584 NA MeJP NA NA +MJ062758 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)thio]-1H-pyrazole-3-carbonitrile; S-Oxide C12H4Cl2F6N4OS 435.938706 NA MeJP NA NA +MJ062759 Diploicin; Me ether C17H12Cl4O5 435.943884 NA MeJP NA NA +MJ062760 Sertaconazole C20H15Cl3N2OS 435.997066 NA MeJP NA NA +MJ062761 Molokaiamine; N3'',N3''-Di-Me, N2'-methoxycarbonyl C15H22Br2N2O3 435.999717 NA MeJP NA NA +MJ062762 Palisadin B; 5?-Acetoxy C17H26Br2O3 436.024869 NA MeJP NA NA +MJ062763 Tenerol; 11-Ac C17H26Br2O3 436.024869 NA MeJP NA NA +MJ062764 Hamigeran C C21H25BrO5 436.088536 NA MeJP NA NA +MJ062765 7-Chloro-3,3',4',5,6,8-hexahydroxyflavone; Hexa-Me ether C21H21ClO8 436.092495 NA MeJP NA NA +MJ062766 Peniophorinin C27H16O6 436.094688 NA MeJP NA NA +FL4DACGS0001 Taxifolin 3-apioside C20H20O11 436.10056 124078-33-7 knapsack NA NA +FL4DACGS0002 (2R,3R)-Taxifolin 3-xyloside C20H20O11 436.10056 75714-88-4 knapsack NA NA +FL4DACGS0003 (2R,3S)-Epitaxifolin 3-xyloside C20H20O11 436.10056 109430-54-8 knapsack NA NA +FL4DACGS0004 (2S,3R)-Epitaxifolin 3-xyloside C20H20O11 436.10056 109430-53-7 knapsack NA NA +FL4DACGS0005 (2S,3S)-Taxifolin 3-xyloside C20H20O11 436.10056 109430-52-6 knapsack NA NA +FL4DACGS0027 (2R,3R)-Taxifolin 3-alpha-arabinopyranoside C20H20O11 436.10056 219808-20-5 knapsack NA NA +FL4DACGS0028 (2R,3S)-Taxifolin 3-alpha-arabinopyranoside C20H20O11 436.10056 219808-21-6 knapsack NA NA +FL4DACGS0029 Taxifolin 3-alpha-L-arabinofuranoside C20H20O11 436.10056 168293-37-6 knapsack NA NA +MJ062767 1,2,6,8-Tetrahydroxyxanthone; 2-Me ether, 8-O-?-D-glucopyranoside C20H20O11 436.100561 NA MeJP NA NA +MJ062768 1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 1-O-?-D-glucopyranoside C20H20O11 436.100561 NA MeJP NA NA +MJ062769 1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 8-O-?-D-glucopyranoside C20H20O11 436.100561 NA MeJP NA NA +MJ062770 1,3,5,8-Tetrahydroxyxanthone; 3-Me ether, 5-O-?-D-glucopyranoside C20H20O11 436.100561 NA MeJP NA NA +MJ062771 1,3,5,8-Tetrahydroxyxanthone; 3-Me ether, 8-O-?-D-glucopyranoside C20H20O11 436.100561 NA MeJP NA NA +MJ062772 1,3,5,8-Tetrahydroxyxanthone; 5-Me ether, 3-O-?-D-glucopyranoside C20H20O11 436.100561 NA MeJP NA NA +MJ062773 1,3,5,8-Tetrahydroxyxanthone; 5-Me ether, 8-O-?-D-glucopyranoside C20H20O11 436.100561 NA MeJP NA NA +MJ062774 2-Glucosyl-1,3,5,6-tetrahydroxyxanthone; 5-Me ether C20H20O11 436.100561 NA MeJP NA NA +MJ062775 3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-D-Apiofuranoside C20H20O11 436.100561 NA MeJP NA NA +MJ062776 3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-D-Xylopyranoside C20H20O11 436.100561 NA MeJP NA NA +MJ062777 3,3',4',5,7-Pentahydroxyflavanone, 3-O-D-Arabinopyranoside C20H20O11 436.100561 NA MeJP NA NA +MJ062778 3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-L-Arabinofuranoside C20H20O11 436.100561 NA MeJP NA NA +MJ062779 3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-L-Arabinopyranoside C20H20O11 436.100561 NA MeJP NA NA +MJ062780 3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-D-Xylopyranoside C20H20O11 436.100561 NA MeJP NA NA +MJ062781 3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-L-Arabinopyranoside C20H20O11 436.100561 NA MeJP NA NA +MJ062782 3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-D-Xylopyranoside C20H20O11 436.100561 NA MeJP NA NA +MJ062783 3-Hydroxy-4H-pyran-4-one; O-[3,4-Dihydroxy-E-cinnamoyl-(?3)-?-D-glucopyranoside] C20H20O11 436.100561 NA MeJP NA NA +MJ062784 3-Hydroxy-4H-pyran-4-one; O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C20H20O11 436.100561 NA MeJP NA NA +MJ062785 Isomangiferin; 3-Me ether C20H20O11 436.100561 NA MeJP NA NA +MJ062786 Isomangiferin; 7-Me ether C20H20O11 436.100561 NA MeJP NA NA +MJ062787 Mangiferin; 3-Me ether C20H20O11 436.100561 NA MeJP NA NA +MJ062788 Mangiferin; 7-Me ether C20H20O11 436.100561 NA MeJP NA NA +C10067 Irisxanthone C20H20O11 436.1006 NA KEGG NA NA +C10093 Swertianolin C20H20O11 436.1006 NA KEGG NA NA +C08124 Nafcillin sodium C21H21N2O5S 436.1069 NA KEGG NA NA +C08125 Transferred to D00929 C21H21N2O5S 436.1069 NA KEGG NA NA +PJ001423 PCCD C15H24N4O7S2 436.1087 NA PeJP NA NA +MJ062789 (L-Seryl)adenylate C13H21N6O9P 436.110762 NA MeJP NA NA +MJ062790 Melithiazoles; Melithiazole N C20H24N2O5S2 436.112663 NA MeJP NA NA +FL63ACNN0003 9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]epicatechin-8-one C24H20O8 436.11581 155050-41-2 knapsack NA NA +FL63AGNN0001 Epigallocatechin 3-O-cinnamate C24H20O8 436.11581 108907-46-6 knapsack NA NA +MJ062791 1,3,8,11-Tetrahydroxy-10-(4-hydroxy-2-oxopentyl)-2-methyl-5,12-naphthacenedione C24H20O8 436.115817 NA MeJP NA NA +MJ062792 3,3',4',5,5',7-Hexahydroxyflavan, 3-O-Cinnamoyl C24H20O8 436.115817 NA MeJP NA NA +MJ062793 Cinchonain Ia; 10-Epimer, 3''-deoxy C24H20O8 436.115817 NA MeJP NA NA +MJ062794 Cinchonain Ia; 3''-Deoxy C24H20O8 436.115817 NA MeJP NA NA +MJ062795 Foliosone C24H20O8 436.115817 NA MeJP NA NA +MJ062796 Kielcorin B C24H20O8 436.115817 NA MeJP NA NA +MJ062797 Kielcorin C24H20O8 436.115817 NA MeJP NA NA +MJ062798 3-Chloro-11,12-dihydroindolo[2,3-a]carbazole; N11-(6-Deoxy-?-D-gulopyranosyl) C24H21ClN2O4 436.118984 NA MeJP NA NA +MJ062799 3-Chloro-11,12-dihydroindolo[2,3-a]carbazole; N11-?-L-Rhamnopyrannosyl C24H21ClN2O4 436.118984 NA MeJP NA NA +MJ062800 3-Chloro-11,12-dihydroindolo[2,3-a]carbazole; N12-(6-Deoxy-?-D-gulopyranosyl) C24H21ClN2O4 436.118984 NA MeJP NA NA +MJ062801 3-Chloro-11,12-dihydroindolo[2,3-a]carbazole; N12-?-L-Rhamnopyranosyl C24H21ClN2O4 436.118984 NA MeJP NA NA +MJ062802 Tianeptine C21H25ClN2O4S 436.122355 NA MeJP NA NA +PJ001424 GDDM C15H24N4O9S 436.1264 NA PeJP NA NA +MJ062803 Eriodermic acid; 2,2'-Di-Me ether, Me ester C22H25ClO7 436.12888 NA MeJP NA NA +MJ062804 Falconensin A; 1',2'-Dihydro, 3''-dechloro, 4''-O-de-Me C22H25ClO7 436.12888 NA MeJP NA NA +MJ062805 Rhizoferrin C16H24N2O12 436.132924 NA MeJP NA NA +C01604 Phlorizin C21H24O10 436.1369 NA KEGG NA NA +FL1DAACS0001 Nothofagin;1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone C21H24O10 436.13694 11023-94-2 knapsack NA NA +FL1DAAGS0002 Phloridzin;Phloretin 2'-glucoside C21H24O10 436.13694 60-81-1 knapsack NA NA +FL1DAAGS0003 Trilobatin C21H24O10 436.13694 4192-90-9 knapsack NA NA +FL1DHXCS0001 Coatline A C21H24O10 436.13694 87441-88-1 knapsack NA NA +FL1DHXGS0001 Licoagroside F;4,2',4',alpha-Tetrahydroxydihydrochalcone alpha-O-glucoside C21H24O10 436.13694 464198-33-2 knapsack NA NA +FL1DHYCS0001 Pterosupin C21H24O10 436.13694 81861-73-6 knapsack NA NA +FL1DHYGS0001 Rocymosin B C21H24O10 436.13694 150036-01-4 knapsack NA NA +FL63AAGS0002 Epiafzelechin 3-O-beta-D-allopyranoside C21H24O10 436.13694 147511-60-2 knapsack NA NA +FL63AAGS0003 Arthromerin B C21H24O10 436.13694 - knapsack NA NA +FL63AAGS0004 Epiafzelechin 3-O-beta-D-glucopyranoside C21H24O10 436.13694 114637-87-5 knapsack NA NA +FL63AAGS0006 Epiafzelechin 5-O-beta-D-glucopyranoside C21H24O10 436.13694 94285-13-9 knapsack NA NA +FL63AAGS0008 Afzelechin 4'-O-beta-D-glucopyranosdie C21H24O10 436.13694 156521-54-9 knapsack NA NA +FL63AAGS0009 Ent-afzelechin-7-O-beta-D-glucopyranoside C21H24O10 436.13694 - knapsack NA NA +FL63ACGS0007 Catechin 3-O-alpha-L-rhamnoside C21H24O10 436.13694 103630-03-1 knapsack NA NA +FL63ACGS0018 Catechin 7-O-alpha-L-rhamnopyranoside C21H24O10 436.13694 60355-69-3 knapsack NA NA +MJ062806 1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 2?,3?-Epoxide, 8-(2-methylpropenoyl), 13-Ac C21H24O10 436.136946 NA MeJP NA NA +MJ062807 1,2,4-Benzenetriol; 1-O-[(3-Hydroxy-3-phenylpropanoyl)-(?6)-?-D-allopyranoside] C21H24O10 436.136946 NA MeJP NA NA +MJ062808 1-(2,4-Dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)-1-propanone; 2'-O-?-D-Glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062809 1-(3,4-Dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethylene; 4-Me ether, 2-O-?-D-glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062810 2,5-Dihydroxybenzyl alcohol; 1'-O-(2-Methoxybenzoyl), 2-O-?-D-glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062811 2-Hydroxy-6-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzoic acid, 6-O-?-D-Glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062812 2-Hydroxy-6-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzoic acid, O?-?-D-Glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062813 2-Phenylethanol; O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C21H24O10 436.136946 NA MeJP NA NA +MJ062814 2-[2-(3,4-Dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid; 3'-O-?-D-Glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062815 3,10-Epoxy-4,5,8,15-tetrahydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methyl-2-propenoyl), 5-Ac C21H24O10 436.136946 NA MeJP NA NA +MJ062816 3,3',4',5,7-Pentahydroxyflavan, 3-O-?-L-Rhamnopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062817 3,4',5,7-Tetrahydroxyflavan, 3-O-?-D-Allopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062818 3,4',5,7-Tetrahydroxyflavan, 3-O-?-D-Glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062819 3,4',5,7-Tetrahydroxyflavan, 5-O-?-D-Glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062820 3,4',5,7-Tetrahydroxyflavan, 7-O-?-D-Glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062821 3,4',5,7-Tetrahydroxyflavan, 3-O-?-D-Glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062822 3,4',5,7-Tetrahydroxyflavan, 4'-O-?-D-Glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062823 3,4-Dihydro-7,9-dihydroxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-5,10-dione, 9-O-?-D-Glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062824 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2'-O-?-D-Glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062825 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4'-O-?-D-Glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062826 4-Hydroxybenzyl alcohol; ?-O-(4-Hydroxy-3-methoxybenzoyl), 4-O-?-D-glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062827 7,7a-Dihydro-3,6,7-trihydroxy-1a-(3-methyl-2-butenyl)naphth[2,3-b]oxiren-2(1aH)-one; 7-Ketone, 3-O-?-D-glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062828 Aloenin; 4'',6''-Ethylidene C21H24O10 436.136946 NA MeJP NA NA +MJ062829 Aloesaponol IV; 4-Epimer, O-de-Me, 4-O-?-D-glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062830 Eranthin; 4'-O-?-D-Glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062831 Neriaphigenin; 9-O-?-D-Glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +MJ062832 Pterosupin C21H24O10 436.136946 NA MeJP NA NA +MJ062833 Semivioxanthin, 9-O-?-D-Glucopyranoside C21H24O10 436.136946 NA MeJP NA NA +PJ001425 SCNN C14H24N6O8S 436.1376 NA PeJP NA NA +PJ001426 GGSCN C14H24N6O8S 436.1377 NA PeJP NA NA +MJ062834 Tryptophan tryptophylquinone C22H20N4O6 436.138284 NA MeJP NA NA +MJ062835 2-Butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid C22H21ClN6O2 436.141451 NA MeJP NA NA +C15554 EXP 3174 C22H21ClN6O2 436.1415 NA KEGG NA NA +PJ001427 CEW C19H24N4O6S 436.1417 NA PeJP NA NA +PJ001428 SSDE C15H24N4O11 436.1442 NA PeJP NA NA +PJ001429 SPCM C16H28N4O6S2 436.145 NA PeJP NA NA +MJ062836 Melithiazoles; Melithiazole G C21H28N2O4S2 436.149048 NA MeJP NA NA +MJ062837 Melithiazoles; Melithiazole I C21H28N2O4S2 436.149048 NA MeJP NA NA +FL2FF9NC0001 Macrophyllol A (flavone);5-Hydroxy-7,8-dimethoxy-6-(2-hydroxy-5-methoxybenzyl)flavanone C25H24O7 436.1522 477934-73-9 knapsack NA NA +FL3FALNP0011 Artobilichromene C25H24O7 436.1522 54963-50-7 knapsack NA NA +FL3FALNP0014 Artonin E;KB 3;5-Hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-2-(2,4,5-trihydroxyphenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C25H24O7 436.1522 129683-93-8 knapsack NA NA +FL3FRNNF0004 Artonin J;5a,6-Dihydro-1,3,8,10-tetrahydroxy-5,5-dimethyl-2-(3-methyl-2-butenyl)-5H,7H-benzofuro[3,4-bc]xanthen-7-one C25H24O7 436.1522 148719-51-1 knapsack NA NA +FL4DQUNP0001 Sanggenon A C25H24O7 436.1522 76464-71-6 knapsack NA NA +FL4DRNNP0001 Sanggenon M C25H24O7 436.1522 92280-11-0 knapsack NA NA +FL5FACND0001 Broussonol B;8,9-Dihydro-3,5-dihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one C25H24O7 436.1522 370563-80-7 knapsack NA NA +FL5FACNP0005 Broussonol A;8-(1,1-Dimethyl-2-propenyl)-3,5,7-trihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one C25H24O7 436.1522 339524-98-0 knapsack NA NA +FL5FACNP0006 Petalopurpurenol;(-)-3,5,7-Trihydroxy-2-[8-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-5-yl]-4H-1-benzopyran-4-one C25H24O7 436.1522 173221-05-1 knapsack NA NA +FLIAALND0001 Lupinisoflavone L C25H24O7 436.1522 128700-27-6 knapsack NA NA +FLIAALND0002 Lupinisoflavone K C25H24O7 436.1522 128700-26-5 knapsack NA NA +FLIG1LNI0005 Euchretin B C25H24O7 436.1522 125002-85-9 knapsack NA NA +MJ062838 Artobilochromene C25H24O7 436.152203 NA MeJP NA NA +MJ062839 Artonin E C25H24O7 436.152203 NA MeJP NA NA +MJ062840 Artonin J C25H24O7 436.152203 NA MeJP NA NA +MJ062841 Auriculatin; 2''',3'''-Epoxide C25H24O7 436.152203 NA MeJP NA NA +MJ062842 Auriculatin; ?3''-Isomer, 2''-hydroxy C25H24O7 436.152203 NA MeJP NA NA +MJ062843 Bletilol B; O-De-Ac C25H24O7 436.152203 NA MeJP NA NA +MJ062844 Broussonol A C25H24O7 436.152203 NA MeJP NA NA +MJ062845 Chromanoartobilochromene a C25H24O7 436.152203 NA MeJP NA NA +MJ062846 Chromanoartobilochromene b C25H24O7 436.152203 NA MeJP NA NA +MJ062847 Cyathoviridin C25H24O7 436.152203 NA MeJP NA NA +MJ062848 Erysenegalensein J C25H24O7 436.152203 NA MeJP NA NA +MJ062849 Euchretin B C25H24O7 436.152203 NA MeJP NA NA +MJ062850 Euchretin F C25H24O7 436.152203 NA MeJP NA NA +MJ062851 Gnetifolin F C25H24O7 436.152203 NA MeJP NA NA +MJ062852 Lupinisoflavone L C25H24O7 436.152203 NA MeJP NA NA +MJ062853 Morusin; 4''-Hydroxy C25H24O7 436.152203 NA MeJP NA NA +MJ062854 Petalopurpurenol C25H24O7 436.152203 NA MeJP NA NA +MJ062855 Pomiferin; ?3''-Isomer, 2''-hydroxy C25H24O7 436.152203 NA MeJP NA NA +MJ062856 Sanggenon A C25H24O7 436.152203 NA MeJP NA NA +MJ062857 Sanggenon M C25H24O7 436.152203 NA MeJP NA NA +MJ062858 Terphenyllin; 6'-O-De-Me, 4,4''-di-Me ether, 2',6'-di-Ac C25H24O7 436.152203 NA MeJP NA NA +MJ062859 Metesind C23H24N4O3S 436.156911 NA MeJP NA NA +MJ062860 Diderroside; O-De-Ac, Me ester C18H28O12 436.158076 NA MeJP NA NA +MJ062861 Eleganoside C C18H28O12 436.158076 NA MeJP NA NA +PJ001430 GTEM C16H28N4O8S 436.1628 NA PeJP NA NA +MJ062862 Delprostenate C23H29ClO6 436.165266 NA MeJP NA NA +MJ062863 Wybutine, 3-?-D-Ribofuranosyl C18H24N6O7 436.170647 NA MeJP NA NA +MJ062864 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl), 3-Ac C22H28O9 436.173332 NA MeJP NA NA +MJ062865 1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(2-Methylbutanoyl), 13-Ac C22H28O9 436.173332 NA MeJP NA NA +MJ062866 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-Tigloyl, 13-Ac C22H28O9 436.173332 NA MeJP NA NA +MJ062867 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Me ether, 8-(2-methylpropenoyl), 13-Ac C22H28O9 436.173332 NA MeJP NA NA +MJ062868 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-Tigloyl, 13-Ac C22H28O9 436.173332 NA MeJP NA NA +MJ062869 1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl), 13-Ac C22H28O9 436.173332 NA MeJP NA NA +MJ062870 1,8,15-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-(3,4-Dihydroxy-2-methylenebutanoyl), 15-Ac C22H28O9 436.173332 NA MeJP NA NA +MJ062871 3,3',4,4',5,5',9,9'-Octahydroxy-7,7'-epoxylignan, 3,3',5,5'-Tetra-Me ether C22H28O9 436.173332 NA MeJP NA NA +MJ062872 3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(4-Hydroxy-2-methyl-2-butenoyl), 15-Ac C22H28O9 436.173332 NA MeJP NA NA +MJ062873 3,8,9,10-Tetrahydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl, 9-Ac C22H28O9 436.173332 NA MeJP NA NA +MJ062874 4,18:15,16-Diepoxy-6,8,10,19-tetrahydroxy-13(16),14-clerodadien-20,12-olide, 19-Ac C22H28O9 436.173332 NA MeJP NA NA +MJ062875 4,8,9,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 4-Hydroperoxide, 8-angeloyl, 9-Ac C22H28O9 436.173332 NA MeJP NA NA +MJ062876 4,8,9,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 4-Hydroperoxide, 8-tigloyl, 9-Ac C22H28O9 436.173332 NA MeJP NA NA +MJ062877 8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2?-butenoyl), 9-Ac C22H28O9 436.173332 NA MeJP NA NA +MJ062878 8,9,10-Trihydroxy-2,3-seco-4,11(13)-germacradiene-3,1;12,6-diolide, 8-Angeloyl, 9-Ac C22H28O9 436.173332 NA MeJP NA NA +MJ062879 8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Methylpropanoyl), 9-Ac, Me ester C22H28O9 436.173332 NA MeJP NA NA +MJ062880 Bruceolide; 15-Deoxy, parent acid, Et ester C22H28O9 436.173332 NA MeJP NA NA +MJ062881 Glaucarubol; 2-Ketone, 15-Ac C22H28O9 436.173332 NA MeJP NA NA +MJ062882 Samaderine Z; 15-Ac C22H28O9 436.173332 NA MeJP NA NA +PJ001431 TMW C20H28N4O5S 436.1781 NA PeJP NA NA +MJ062883 Bismurrayafoline A; 3-Hydroxy C28H24N2O3 436.178692 NA MeJP NA NA +MJ062884 Oxydimurrayafoline C28H24N2O3 436.178692 NA MeJP NA NA +PJ001432 STTE C16H28N4O10 436.1806 NA PeJP NA NA +PJ001433 GVMM C17H32N4O5S2 436.1814 NA PeJP NA NA +PJ001434 GSHH C17H24N8O6 436.1819 NA PeJP NA NA +MJ062885 Antimycin A; Antimycin A3, De(3-methylbutanoyl) C21H28N2O8 436.184565 NA MeJP NA NA +3738 NA YPFGFWG 436.186 MH2+ Inhouse_peptide NA peptide +FL1CA8NP0001 Orotinichalcone C26H28O6 436.18858 108864-19-3 knapsack NA NA +FL2FADNP0002 3'-Methoxylupinifolin C26H28O6 436.18858 144049-80-9 knapsack NA NA +FL2FALNP0005 Fleminone C26H28O6 436.18858 88660-16-6 knapsack NA NA +FL3FADNI0001 Cannflavin A C26H28O6 436.18858 76735-57-4 knapsack NA NA +FL3FALNI0009 Artocarpin;2',4',5-Trihydroxy-7-methoxy-6-(3-methyl-1-butenyl)-3-(3-methyl-2-butenyl)flavone;2-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methyl-1-butenyl)-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C26H28O6 436.18858 7608-44-8 knapsack NA NA +FL4DA8NP0002 (3R)-3-Methoxyminimiflorin;5,2'-Dihydroxy-3-methoxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone C26H28O6 436.18858 259812-80-1 knapsack NA NA +FL4DBANP0001 3,4'-Dihydroxy-5-methoxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone C26H28O6 436.18858 234429-78-8 knapsack NA NA +FL4DDANP0001 3-O-methyllupinifolinol C26H28O6 436.18858 120211-96-3 knapsack NA NA +FL64RNNP0001 4,6'-Epoxyorotiniflavan-4-ol C26H28O6 436.18858 - knapsack NA NA +FLIAADNP0001 1'',2''-Dihydro-O-methylcyclopomiferin C26H28O6 436.18858 78876-33-2 knapsack NA NA +FLIAAENI0001 6,8-Diprenylpratensein;5,7,3'-Trihydroxy-4'-methoxy-6,8-diprenylisoflavone C26H28O6 436.18858 87530-21-0 knapsack NA NA +FLIAALNI0008 2'-Methoxylupalbigenin;5,7,4'-Trihydroxy-2'-methoxy-6,3'-diprenylisoflavone C26H28O6 436.18858 89143-44-2 knapsack NA NA +FLIAALNP0010 1'',2''-Dihydro-2'-hydroxycycloosajin C26H28O6 436.18858 78876-34-3 knapsack NA NA +FLIBALNP0006 2'-O-Methylcajanone C26H28O6 436.18858 71765-79-2 knapsack NA NA +FLNF19NP0001 Isochapelieric acid methyl ester C26H28O6 436.18858 90866-14-1 knapsack NA NA +FLNF19NP0002 Chapelieric acid methyl ester C26H28O6 436.18858 34336-12-4 knapsack NA NA +MJ062886 1,11:14,15-Diepoxy-6-hydroxymeliaca-5,9,20,22-tetraene-3,7-dione C26H28O6 436.188588 NA MeJP NA NA +MJ062887 2',4',5,7-Tetrahydroxy-3',6-diprenylisoflavone; 7-Me ether C26H28O6 436.188588 NA MeJP NA NA +MJ062888 2',4',5,7-Tetrahydroxy-3,6-diprenylflavone; 7-Me ether C26H28O6 436.188588 NA MeJP NA NA +MJ062889 2',4',5,7-Tetrahydroxy-6,8-diprenylisoflavone; 2'-Me ether C26H28O6 436.188588 NA MeJP NA NA +MJ062890 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 3'-Me ether C26H28O6 436.188588 NA MeJP NA NA +MJ062891 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 4'-Me ether C26H28O6 436.188588 NA MeJP NA NA +MJ062892 3',4',5,7-Tetrahydroxy-6,8-diprenylisoflavone; 3'-Me ether C26H28O6 436.188588 NA MeJP NA NA +MJ062893 3',4',5,7-Tetrahydroxy-6,8-diprenylisoflavone; 4'-Me ether C26H28O6 436.188588 NA MeJP NA NA +MJ062894 3,4,7,8-Tetrahydro-11-(2-hydroxy-4-methoxyphenyl)-2,2,6,6-tetramethyl-2H,6H,12H-benzo[1,2-b;3,4-b';5,6-b'']tripyran-12-one C26H28O6 436.188588 NA MeJP NA NA +MJ062895 4',5,7-Trihydroxy-6,8-diprenylisoflavone; ?3'''-Isomer, 2'''-hydroxy, 5-Me ether C26H28O6 436.188588 NA MeJP NA NA +MJ062896 4',5,7-Trihydroxy-6,8-diprenylisoflavone; ?3''-Isomer, 2''-hydroxy, 5-Me ether C26H28O6 436.188588 NA MeJP NA NA +MJ062897 4,6'-Epoxyoritiniflavanol C26H28O6 436.188588 NA MeJP NA NA +MJ062898 6-Geranyl-3',4',5,7-tetrahydroxyflavone; 3'-Me ether C26H28O6 436.188588 NA MeJP NA NA +MJ062899 Artocarpin C26H28O6 436.188588 NA MeJP NA NA +MJ062900 Bulgarialactone A C26H28O6 436.188588 NA MeJP NA NA +MJ062901 Cajanone; 2'-Me ether C26H28O6 436.188588 NA MeJP NA NA +MJ062902 Citrolin C26H28O6 436.188588 NA MeJP NA NA +MJ062903 Desmodianone A C26H28O6 436.188588 NA MeJP NA NA +MJ062904 Jayacanol, 3-Me ether C26H28O6 436.188588 NA MeJP NA NA +MJ062905 Lupinifolin, 3'-Methoxy C26H28O6 436.188588 NA MeJP NA NA +MJ062906 Lupinifolinol; 3-Me ether C26H28O6 436.188588 NA MeJP NA NA +MJ062907 Lupinol A; 3-Me ether C26H28O6 436.188588 NA MeJP NA NA +MJ062908 Orotinichalcone C26H28O6 436.188588 NA MeJP NA NA +MJ062909 Orotinin; 5-Me ether C26H28O6 436.188588 NA MeJP NA NA +MJ062910 Scandenone; 2''',3'''-Dihydro, 3'''-methoxy C26H28O6 436.188588 NA MeJP NA NA +MJ062911 Senegalensin; 5-Me ether C26H28O6 436.188588 NA MeJP NA NA +MJ062912 Terphenyllin; 3''-Methoxy, 4''-O-(3-methyl-2-butenyl) C26H28O6 436.188588 NA MeJP NA NA +MJ062913 Ugonin A; 3'-Me ether C26H28O6 436.188588 NA MeJP NA NA +PJ001435 MMR C16H32N6O4S2 436.1927 NA PeJP NA NA +MJ062914 N-[N-[4-[4-(Aminoiminomethyl)phenoxy]-1-oxobutyl]-?-aspartyl]valine C20H28N4O7 436.195799 NA MeJP NA NA +PJ001436 GPTY C20H28N4O7 436.1958 NA PeJP NA NA +PJ001437 SSLM C17H32N4O7S 436.1992 NA PeJP NA NA +MJ062915 Bispyroquine C25H29ClN4O 436.202989 NA MeJP NA NA +PJ001438 DFR C19H28N6O6 436.2071 NA PeJP NA NA +C09532 Polhovolide C23H32O8 436.2097 NA KEGG NA NA +MJ062916 1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 14-(Methylpropanoyl), 1,6-di-Ac C23H32O8 436.209718 NA MeJP NA NA +MJ062917 2,3,5,11,14-Pentahydroxy-12-oxocard-20(22)-enolide C23H32O8 436.209718 NA MeJP NA NA +MJ062918 8,10,11-Trihydroxy-3-guaien-12,6-olide, 8-(2-Methylpropanoyl), 10,11-di-Ac C23H32O8 436.209718 NA MeJP NA NA +MJ062919 8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl), 9-(2-hydroxy-2-methylpropanoyl) C23H32O8 436.209718 NA MeJP NA NA +MJ062920 9,13:15,16-Diepoxy-8,15-dihydroxy-7-oxo-19,6-labdanolide, 15-Me ether, 8-Ac C23H32O8 436.209718 NA MeJP NA NA +MJ062921 Antibiotic SI 4228C; 8-Hydroxy C23H32O8 436.209718 NA MeJP NA NA +MJ062922 Javanicin U C23H32O8 436.209718 NA MeJP NA NA +MJ062923 Luminacin; Luminacin A1 C23H32O8 436.209718 NA MeJP NA NA +MJ062924 Nepetaefolin; 14,15-Dihydro, 15R-methoxy C23H32O8 436.209718 NA MeJP NA NA +MJ062925 Ergosecalinine C24H28N4O4 436.211055 NA MeJP NA NA +MJ062926 Griffithine C24H28N4O4 436.211055 NA MeJP NA NA +3428 NA EILDVPST 436.21795 MH2+ Inhouse_peptide NA peptide +MJ062927 Arginomycin C18H28N8O5 436.218266 NA MeJP NA NA +3827 ileum contracting peptide PMYPLPR 436.2222 MH2+ Inhouse_peptide NA peptide +FL2FABNI0003 Lespedezaflavanone F C27H32O5 436.22497 145399-96-8 knapsack NA NA +FL2FABNI0004 Lespedezaflavanone G C27H32O5 436.22497 145399-97-9 knapsack NA NA +MJ062928 4',5,7-Trihydroxy-6-methyl-3',8-diprenylflavanone, 4'-Me ether C27H32O5 436.224974 NA MeJP NA NA +MJ062929 4',5,7-Trihydroxy-8-methyl-3',6-diprenylflavanone, 4'-Me ether C27H32O5 436.224974 NA MeJP NA NA +MJ062930 Arisugacin E; 4a-Deoxy, 3-ketone C27H32O5 436.224974 NA MeJP NA NA +MJ062931 Ingenol; 20-Deoxy, 5-benzoyl C27H32O5 436.224974 NA MeJP NA NA +MJ062932 Isoschefflerin C27H32O5 436.224974 NA MeJP NA NA +MJ062933 Kanzonol I C27H32O5 436.224974 NA MeJP NA NA +MJ062934 Schefflerin C27H32O5 436.224974 NA MeJP NA NA +C14664 11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene- C24H33FO6 436.2261 NA KEGG NA NA +C15269 9-Fluoro-11beta,17,21-trihydroxy-2alpha-methylpregn-4-ene-3,20-dione C24H33FO6 436.2261 NA KEGG NA NA +MJ062935 Fludroxycortide C24H33FO6 436.226116 NA MeJP NA NA +MJ062936 Royleose; 3'-O-De-Me C20H36O10 436.230847 NA MeJP NA NA +MJ062937 HC Toxin I C21H32N4O6 436.232184 NA MeJP NA NA +7796 Antioxidant peptide derived from bovine b-casein VKEAMAPK 436.2322 MH2+ Inhouse_peptide NA peptide +C15676 HC-toxin C21H32N4O6 436.2322 NA KEGG NA NA +PJ001439 AALY C21H32N4O6 436.2322 NA PeJP NA NA +MJ062938 5,6,7,8,8a,9,12,12b-Octahydro-1-methoxy-7,10-dimethyl-4,8-methanobenzofuro[3,2-e]pyrrolo[2,3-g]isoquinoline-11-carboxylic acid; 2-Methylpropyl ester C26H32N2O4 436.236207 NA MeJP NA NA +MJ062939 Minovincinine, O-(3-Methyl-2-butenoyl) C26H32N2O4 436.236207 NA MeJP NA NA +MJ062940 Gorgiabisazulene C31H32O2 436.24023 NA MeJP NA NA +PJ001440 VRY C20H32N6O5 436.2434 NA PeJP NA NA +MJ062941 11(15?1)-Abeo-4(20),11-taxadiene-5,9,10,13,15-pentol, 9,13-Di-Ac C24H36O7 436.246103 NA MeJP NA NA +MJ062942 12,13:15,16-Diepoxy-3-clerodene-14,15,16-triol; 15,16-Di-Ac C24H36O7 436.246103 NA MeJP NA NA +MJ062943 15,17-Epoxy-6,7,17-trihydroxy-16-spongianone, 6-Butanoyl C24H36O7 436.246103 NA MeJP NA NA +MJ062944 15,17-Epoxy-6,7,17-trihydroxy-16-spongianone, 7-Butanoyl C24H36O7 436.246103 NA MeJP NA NA +MJ062945 16-Kaurene-1,3,6,11,15-pentol, 1,3-Di-Ac C24H36O7 436.246103 NA MeJP NA NA +MJ062946 16-Kaurene-1,3,6,11,15-pentol, 3,15-Di-Ac C24H36O7 436.246103 NA MeJP NA NA +MJ062947 16-Kaurene-3,6,7,11,15-pentol, 3,6-Di-Ac C24H36O7 436.246103 NA MeJP NA NA +MJ062948 2,10(18),14-Prenylguaiatriene-4,6,9,12,13-pentol, 12,13-Di-Ac C24H36O7 436.246103 NA MeJP NA NA +MJ062949 2,9:3,16-Diepoxy-7(19)-asbestinene-4,6,11-triol, 4,11-Di-Ac C24H36O7 436.246103 NA MeJP NA NA +MJ062950 4(17),10(18),14-Prenylguaiatriene-3,6,9,12,13-pentol, 12,13-Di-Ac C24H36O7 436.246103 NA MeJP NA NA +MJ062951 4(20),11-Taxadiene-2,5,9,10,13-pentol, 10,13-Di-Ac C24H36O7 436.246103 NA MeJP NA NA +MJ062952 7,13,17-Trihydroxy-16-spongianone, 7,17-Di-Ac C24H36O7 436.246103 NA MeJP NA NA +MJ062953 7,20-Epoxy-6,7,11,17-tetrahydroxy-15-kauranone, 17-Et ether, 11-Ac C24H36O7 436.246103 NA MeJP NA NA +MJ062954 9,13-Epoxy-18-hydroxy-7-labden-15-oic acid, 18-Succinoyl C24H36O7 436.246103 NA MeJP NA NA +MJ062955 9,13-Epoxy-3,18-dihydroxy-15,16-labdanolide, Di-Ac C24H36O7 436.246103 NA MeJP NA NA +MJ062956 Fusicoplagin C C24H36O7 436.246103 NA MeJP NA NA +MJ062957 Nigakihemiacetal C; 12-Me ether, 11-Ac C24H36O7 436.246103 NA MeJP NA NA +MetaCyc03559 lysophosphatidate [L-2-lysophosphatidate;lysophosphatidic acid;LPA;monooleylphosphatidate;1-oleyllysophsophatidate;2-hydroxy-3-(phosphonooxy)propyl oleate;] C21H41O7P1 436.25899 NA metacyc NA NA +HMDB00443 1-Oleoyl-lysophosphatidic acid C21H41O7P 436.259 http://www.hmdb.ca/metabolites/HMDB00443 HMDB NA NA +C03805 Stearoylglycerone phosphate C21H41O7P 436.259 NA KEGG NA NA +C03806 Substituted beta-amino acid C21H41O7P 436.259 NA KEGG NA NA +C03808 [Pyruvate kinase] phosphate C4H7N2O6PR2 436.259 NA KEGG NA NA +C03809 [Tyrosine aminotransferase] C4H7N2O6PR2 436.259 NA KEGG NA NA +HMDB00443 1-Oleoyl-lysophosphatidic acid C21H41O7P 436.259 HMDB00443 PFEM_hmdb_metabocards_official NA NA +HMDB07851 LPA(0:0/18:1(9Z)) C21H41O7P 436.259003 NA HMDB2010 NA NA +HMDB07855 LPA(18:1(9Z)/0:0) C21H41O7P 436.259003 NA HMDB2010 NA NA +HMDB11133 DHAP(18:0) C21H41O7P 436.259003 NA HMDB2010 NA NA +MJ062958 14,20-Epoxy-1-oxowitha-2,5,24-trienolide C28H36O4 436.261359 NA MeJP NA NA +MJ062959 2,3-Dihydroxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione C28H36O4 436.261359 NA MeJP NA NA +MJ062960 20-Hydroxy-1-oxowitha-2,5,14,24-tetraenolide C28H36O4 436.261359 NA MeJP NA NA +MJ062961 Azadirone C28H36O4 436.261359 NA MeJP NA NA +MJ062962 Balaenol; 20-Epimer, 22?-hydroxy C28H36O4 436.261359 NA MeJP NA NA +MJ062963 Canarol; 7-Hydroxy, 7,8-didehydro C28H36O4 436.261359 NA MeJP NA NA +MJ062964 Grevirobstol C C28H36O4 436.261359 NA MeJP NA NA +MJ062965 Tingenin A; 20?-Hydroxy C28H36O4 436.261359 NA MeJP NA NA +MJ062966 Tingenin A; 20?-Hydroxy C28H36O4 436.261359 NA MeJP NA NA +MJ062967 Tingenin A; 22?-Hydroxy C28H36O4 436.261359 NA MeJP NA NA +MJ062968 Tingenin A; 7,8?-Dihydro, 7-ketone C28H36O4 436.261359 NA MeJP NA NA +MJ062969 Withametelin C28H36O4 436.261359 NA MeJP NA NA +EUR529 18 :1 Lyso PC F4 F4 436.261925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR529 18 :1 Lyso PC F4 NA 436.261925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR529 18 :1 Lyso PC F4 F4 436.261925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR529 18 :1 Lyso PC F4 NA 436.261925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR529 18 :1 Lyso PC F4 F4 436.261925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR529 18 :1 Lyso PC F4 NA 436.261925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR529 18 :1 Lyso PC F4 F4 436.261925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR529 18 :1 Lyso PC F4 F4 436.261925 standards wishlist analysés sur QTOF HMDB NA NA +EUR529 18 :1 Lyso PC F4 F4 436.261925 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR529 18 :1 Lyso PC F4 NA 436.261925 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR529 18 :1 Lyso PC F4 F4 436.261925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR529 18 :1 Lyso PC F4 F4 436.261925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ062970 Lifarizine C29H32N4 436.262697 NA MeJP NA NA +MJ062971 Ochrolifuanines, 18,19-Didehydro C29H32N4 436.262697 NA MeJP NA NA +MJ062972 Usambarensine; 1'R,2',3',4'-Tetrahydro C29H32N4 436.262697 NA MeJP NA NA +MJ062973 Usambarensine; 1'S,2',3',4'-Tetrahydro C29H32N4 436.262697 NA MeJP NA NA +MJ062974 Cipemastat C22H36N4O5 436.26857 NA MeJP NA NA +MJ062975 Eurystatin; Eurystatin C C22H36N4O5 436.26857 NA MeJP NA NA +MJ062976 Lophiline C27H36N2O3 436.272593 NA MeJP NA NA +MJ062977 Pangamic acid C20H40N2O8 436.278466 NA MeJP NA NA +MJ062978 10,12-Epoxy-4,10-seco-13(15),17-spatadiene-2,5,10,12-tetrol, 2,10,12-Tri-Me ether, 5-Ac C25H40O6 436.282489 NA MeJP NA NA +MJ062979 15,16-Epoxy-3-clerodene-15,18-diol, 15-Me ether, 18-(methylmalonoyl) C25H40O6 436.282489 NA MeJP NA NA +MJ062980 2,3,7-Trihydroxy-8(17)-labden-15,12-olide, 3-(2-Methylbutanoyl) C25H40O6 436.282489 NA MeJP NA NA +MJ062981 7,8:9,13-Diepoxy-1,6,15-labdanetriol, 15-(3-Methyl-2-butenoyl) C25H40O6 436.282489 NA MeJP NA NA +MJ062982 8(17),13-Labdadiene-15,19-diol, 19-Aldehyde, 15-O-?-D-xylopyranoside C25H40O6 436.282489 NA MeJP NA NA +MJ062983 8(17),13-Labdadiene-2,3,15,16,18-pentol, 3-Angeloyl C25H40O6 436.282489 NA MeJP NA NA +MJ062984 8,10,13(15),16-Lobatetraen-18-ol; O-?-D-Arabinopyranosyl, 13?,15?-epoxide (isomer 1) C25H40O6 436.282489 NA MeJP NA NA +MJ062985 8,10,13(15),16-Lobatetraen-18-ol; O-?-D-Arabinopyranosyl, 13?,15?-epoxide (isomer 2) C25H40O6 436.282489 NA MeJP NA NA +MJ062986 8,20-Epoxy-14-labdene-2,3,7,13-tetrol, 2-Angeloyl C25H40O6 436.282489 NA MeJP NA NA +MJ062987 Salvisyriacolide C25H40O6 436.282489 NA MeJP NA NA +MJ062988 16-Kauren-19-ol; ent-form, O-[3-(4-Hydroxyphenyl)propanoyl] C29H40O3 436.297745 NA MeJP NA NA +MJ062989 Bolmantalate C29H40O3 436.297745 NA MeJP NA NA +MJ062990 Bialamicol C28H40N2O2 436.308978 NA MeJP NA NA +MJ062991 Stolonic acid A; 25,26-Dihydro C26H44O5 436.318874 NA MeJP NA NA +HMDB02195 Varanic acid C26H44O5 436.318878 NA HMDB2010 NA NA +HMDB02195 Varanic acid C26H44O5 436.31888 http://www.hmdb.ca/metabolites/HMDB02195 HMDB NA NA +HMDB02195 Varanic acid C26H44O5 436.31888 HMDB02195 PFEM_hmdb_metabocards_official NA NA +C13309 2-Phytyl-1,4-naphthoquinone C30H44O2 436.3341 NA KEGG NA NA +MJ062992 30-Hydroxy-1,12,20(29)-lupatrien-3-one C30H44O2 436.33413 NA MeJP NA NA +MJ062993 4,15,18-Triacontatriene-1,12,29-triyne-3,28-diol C30H44O2 436.33413 NA MeJP NA NA +MJ062994 4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,28-diol, 12,12,13,13-Tetrahydro C30H44O2 436.33413 NA MeJP NA NA +MJ062995 4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,28-diol, 4,5,26,27-Tetrahydro C30H44O2 436.33413 NA MeJP NA NA +MJ062996 4,15,26-Triacontatriene-1,29-diyne-3,28-diol; Diketone C30H44O2 436.33413 NA MeJP NA NA +MJ062997 4,15,27-Triacontatriene-1,12,29-triyne-3,26-diol C30H44O2 436.33413 NA MeJP NA NA +MJ062998 Alertenone C30H44O2 436.33413 NA MeJP NA NA +MJ062999 Bitaylorione C30H44O2 436.33413 NA MeJP NA NA +MJ063000 Lanosta-7,9(11),24-triene-3,26-diol, 3-Ketone, 26-aldehyde C30H44O2 436.33413 NA MeJP NA NA +MetaCyc03560 demethylphylloquinone [3-phytyl-1,4-naphtoquinone;] C30H44O2 436.334131 NA metacyc NA NA +HMDB04649 Demethylphylloquinone C30H44O2 436.334137 NA HMDB2010 NA NA +HMDB04649 Demethylphylloquinone C30H44O2 436.33414 http://www.hmdb.ca/metabolites/HMDB04649 HMDB NA NA +HMDB04649 Demethylphylloquinone C30H44O2 436.33414 HMDB04649 PFEM_hmdb_metabocards_official NA NA +HMDB00520 5a-Cholestane-3a,7a,12a,25-tetrol C27H48O4 436.355255 NA HMDB2010 NA NA +HMDB00524 5b-Cholestane-3a,7a,12a,25-tetrol C27H48O4 436.355255 NA HMDB2010 NA NA +HMDB00655 Cholestane-3,7,12,25-tetrol C27H48O4 436.355255 NA HMDB2010 NA NA +HMDB01231 27-Deoxy-5b-cyprinol C27H48O4 436.355255 NA HMDB2010 NA NA +HMDB01968 5b-Cholestane-3a,7a,12a,23-Tetrol C27H48O4 436.355255 NA HMDB2010 NA NA +HMDB00520 5a-Cholestane-3a,7a,12a,25-tetrol C27H48O4 436.35526 http://www.hmdb.ca/metabolites/HMDB00520 HMDB NA NA +HMDB00524 5b-Cholestane-3a,7a,12a,25-tetrol C27H48O4 436.35526 http://www.hmdb.ca/metabolites/HMDB00524 HMDB NA NA +HMDB00655 Cholestane-3,7,12,25-tetrol C27H48O4 436.35526 http://www.hmdb.ca/metabolites/HMDB00655 HMDB NA NA +HMDB01231 27-Deoxy-5b-cyprinol C27H48O4 436.35526 http://www.hmdb.ca/metabolites/HMDB01231 HMDB NA NA +HMDB01968 5b-Cholestane-3a,7a,12a,23-Tetrol C27H48O4 436.35526 http://www.hmdb.ca/metabolites/HMDB01968 HMDB NA NA +MJ063001 Cholestane-1,3,5,6-tetrol C27H48O4 436.35526 NA MeJP NA NA +MJ063002 Cholestane-2,3,22,23-tetrol C27H48O4 436.35526 NA MeJP NA NA +MJ063003 Cholestane-3,5,6,26-tetrol C27H48O4 436.35526 NA MeJP NA NA +MJ063004 Cholestane-3,5,6,9-tetrol C27H48O4 436.35526 NA MeJP NA NA +MJ063005 Cholestane-3,6,12,21-tetrol C27H48O4 436.35526 NA MeJP NA NA +MJ063006 Cholestane-3,6,15,16-tetrol C27H48O4 436.35526 NA MeJP NA NA +MJ063007 Cholestane-3,6,15,24-tetrol C27H48O4 436.35526 NA MeJP NA NA +MJ063008 Cholestane-3,7,12,23-tetrol C27H48O4 436.35526 NA MeJP NA NA +MJ063009 Cholestane-3,7,12,24-tetrol C27H48O4 436.35526 NA MeJP NA NA +MJ063010 Cholestane-3,7,12,25-tetrol C27H48O4 436.35526 NA MeJP NA NA +MJ063011 Cholestane-3,7,12,26-tetrol C27H48O4 436.35526 NA MeJP NA NA +MJ063012 Cholestane-3,7,16,26-tetrol C27H48O4 436.35526 NA MeJP NA NA +MJ063013 Cholestane-3,7,24,26-tetrol C27H48O4 436.35526 NA MeJP NA NA +MJ063014 Cholestane-3,7,25,26-tetrol C27H48O4 436.35526 NA MeJP NA NA +MJ063015 Cholestane-3,7,26,27-tetrol C27H48O4 436.35526 NA MeJP NA NA +MetaCyc03561 5β-cholestane-3α,7α,12α,26-tetraol [(25R)-5β-cholestane-3α,7α,12α,26-tetraol;] C27H48O4 436.35526 NA metacyc NA NA +HMDB00520 5a-Cholestane-3a,7a,12a,25-tetrol C27H48O4 436.35526 HMDB00520 PFEM_hmdb_metabocards_official NA NA +HMDB00524 5b-Cholestane-3a,7a,12a,25-tetrol C27H48O4 436.35526 HMDB00524 PFEM_hmdb_metabocards_official NA NA +HMDB00655 Cholestane-3,7,12,25-tetrol C27H48O4 436.35526 HMDB00655 PFEM_hmdb_metabocards_official NA NA +HMDB01231 27-Deoxy-5b-cyprinol C27H48O4 436.35526 HMDB01231 PFEM_hmdb_metabocards_official NA NA +HMDB01968 5b-Cholestane-3a,7a,12a,23-Tetrol C27H48O4 436.35526 HMDB01968 PFEM_hmdb_metabocards_official NA NA +C05446 3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane C27H48O4 436.3553 NA KEGG NA NA +MJ063016 19-Oxo-22-octacosenoic acid C28H52O3 436.391645 NA MeJP NA NA +MJ063017 Ficulinic acid B C28H52O3 436.391645 NA MeJP NA NA +MJ063018 10,12-Nonacosanedione C29H56O2 436.428031 NA MeJP NA NA +MJ063019 10-Oxononacosanal C29H56O2 436.428031 NA MeJP NA NA +MJ063020 12,14-Nonacosanedione C29H56O2 436.428031 NA MeJP NA NA +MJ063021 14,16-Nonacosanedione C29H56O2 436.428031 NA MeJP NA NA +MJ063022 6,8-Nonacosanedione C29H56O2 436.428031 NA MeJP NA NA +MJ063023 8,10-Nonacosanedione C29H56O2 436.428031 NA MeJP NA NA +MJ063024 12-Triacontanone C30H60O 436.464416 NA MeJP NA NA +MJ063025 2-Methyl-3-nonacosanone C30H60O 436.464416 NA MeJP NA NA +MJ063026 2-Triacontanone C30H60O 436.464416 NA MeJP NA NA +MJ063027 21-Triaconten-1-ol C30H60O 436.464416 NA MeJP NA NA +MJ063028 3,7,15-Trimethyl-2-heptacosanone C30H60O 436.464416 NA MeJP NA NA +MJ063029 3-Triacontanone C30H60O 436.464416 NA MeJP NA NA +MJ063030 6-Triacontanone C30H60O 436.464416 NA MeJP NA NA +MJ063031 Triacontanal C30H60O 436.464416 NA MeJP NA NA +C08376 Hentriacontane C31H64 436.5008 NA KEGG NA NA +MJ063032 Hentriacontane C31H64 436.500802 NA MeJP NA NA +MJ063033 2,3-Dimethylnonacosane C31H64 436.500802 NA MeJP NA NA +MJ063034 3-Methyltriacontane C31H64 436.500802 NA MeJP NA NA +7802 ACE inhibitor from as2-casein NMAINPSK 436.7126 MH2+ Inhouse_peptide NA peptide +MJ063035 Flusalan C14H8Br2F3NO2 436.887388 NA MeJP NA NA +MJ063036 Sulicrinat C15H10Cl3NO6S 436.92944 NA MeJP NA NA +MJ063037 Bis(4-hydroxyphenyl)(2-pyridinyl)methane; Bis(hydrogen sulfate) ester C18H15NO8S2 437.023907 NA MeJP NA NA +MJ063038 Cefetrizole C16H15N5O4S3 437.028616 NA MeJP NA NA +MJ063039 Tigemonam C12H15N5O9S2 437.031118 NA MeJP NA NA +MJ063040 Bis(4-hydroxyphenyl)(2-pyridinyl)methane; Bis(dihydrogen phosphate) ester C18H17NO8P2 437.042939 NA MeJP NA NA +C08419 Glucoraphanin C12H23NO10S3 437.0484 NA KEGG NA NA +MJ063041 4-(Methylthio)butyl glucosinolate; S-Oxide C12H23NO10S3 437.048408 NA MeJP NA NA +MJ063042 Adociaquinone A; 3-Oxo C22H15NO7S 437.056922 NA MeJP NA NA +MJ063043 3-Phenylpropyl glucosinolate C16H23NO9S2 437.081422 NA MeJP NA NA +MJ063044 Antibiotic PB 5266A C13H19N5O10S 437.085262 NA MeJP NA NA +MJ063045 Miboplatin C11H18N2O4Pt 437.091431 NA MeJP NA NA +MJ063046 N-[4-(2-Chlorophenyl)-6,8-dimethyl-3-quinolinyl]-N'-(2,4-difluorophenyl)urea C24H18ClF2N3O 437.110646 NA MeJP NA NA +MJ063047 Ravuconazole C22H17F2N5OS 437.112187 NA MeJP NA NA +MJ063048 Cimetropium(1+); Bromide C21H28BrNO4 437.120171 NA MeJP NA NA +PJ001441 SCND C14H23N5O9S 437.1217 NA PeJP NA NA +PJ001442 GCQM C15H27N5O6S2 437.1403 NA PeJP NA NA +PJ001443 GCCR C14H27N7O5S2 437.1515 NA PeJP NA NA +C08054 Moxifloxacin hydrochloride C21H24FN3O4 437.1518 NA KEGG NA NA +MJ063049 Jatropham, O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C17H27NO12 437.153325 NA MeJP NA NA +MJ063050 Droclidinium(1+); Bromide C22H32BrNO3 437.156556 NA MeJP NA NA +PJ001444 SSNM C15H27N5O8S 437.158 NA PeJP NA NA +PJ001445 GGSSM C15H27N5O8S 437.1581 NA PeJP NA NA +MJ063051 ?-[[[4-[4-(Aminoiminomethyl)phenyl]-4-methyl-2,5-dioxo-1-imidazolidinyl]acetyl]amino]benzenepropanoic acid C22H23N5O5 437.169918 NA MeJP NA NA +MJ063052 Fluphenazine C22H26F3N3OS 437.174867 NA MeJP NA NA +C07010 Fluphenazine C22H26F3N3OS 437.1749 NA KEGG NA NA +C07011 Transferred to D00328 C22H26F3N3OS 437.1749 NA KEGG NA NA +C07012 Transferred to D00329 C22H26F3N3OS 437.1749 NA KEGG NA NA +C07013 Transferred to D00330 C22H26F3N3OS 437.1749 NA KEGG NA NA +PJ001446 GSSST C15H27N5O10 437.1758 NA PeJP NA NA +PJ001447 GCKM C16H31N5O5S2 437.1767 NA PeJP NA NA +C11092 Azocyclotin C20H35N3Sn 437.1853 NA KEGG NA NA +MJ063053 Gerambullin; 1,8'-Dihydroxy C22H31NO6S 437.187208 NA MeJP NA NA +MJ063054 Gerambullin; 5',12-Dihydroxy C22H31NO6S 437.187208 NA MeJP NA NA +MJ063055 Gerambullin; 8',12-Dihydroxy C22H31NO6S 437.187208 NA MeJP NA NA +MJ063056 Gerambullin; 9',12-Dihydroxy C22H31NO6S 437.187208 NA MeJP NA NA +PJ001448 QQY C19H27N5O7 437.1911 NA PeJP NA NA +PJ001449 STCK C16H31N5O7S 437.1944 NA PeJP NA NA +C11596 FMLP C21H31N3O5S 437.1984 NA KEGG NA NA +MJ063057 Methionylleucylphenylalanine; L-L-L-form, N-Formyl C21H31N3O5S 437.198441 NA MeJP NA NA +MJ063058 Methionylphenylalanylleucineyl C21H31N3O5S 437.198441 NA MeJP NA NA +PJ001450 GPQH C18H27N7O6 437.2023 NA PeJP NA NA +C07740 Disopyramide phosphate C21H29N3O 437.208 NA KEGG NA NA +C07741 Transferred to D00638 C21H29N3O 437.208 NA KEGG NA NA +C07742 Transferred to D00639 C21H29N3O 437.208 NA KEGG NA NA +MJ063059 Triparanol C27H32ClNO2 437.212156 NA MeJP NA NA +MetaCyc03562 triparanol [1-(4-(2-(diethylamino)ethoxy)phenyl)-1-(p-tolyl)-2-(p- chlorophenyl)ethanol;1-(p-(β-diethylaminoethoxy)phenyl)-1-(p-tolyl)-2-(p- chlorophenyl)ethanol;2-(p-chlorophenyl)-1-(p-(β-diethylaminoethoxy)phenyl)-1-(p- tolyl)ethanol;2-p-chlorophenyl-1-(p-(2-diethylaminoethoxy)phenyl)-1-p- tolylethanol;metasqualene;α-(p-chlorobenzyl)-4-diethylaminoethoxy-4'-methylbenzhydrol;triparanolum;] C27H32N1O2CL1 437.212157 NA metacyc NA NA +MJ063060 Homocitrullylaminoadenosine C17H27N9O5 437.213515 NA MeJP NA NA +C10589 Decaline C26H31NO5 437.2202 NA KEGG NA NA +MJ063061 Lagerine; Me ether C26H31NO5 437.220223 NA MeJP NA NA +MJ063062 Megistophylline II C26H31NO5 437.220223 NA MeJP NA NA +MJ063063 Vertaline C26H31NO5 437.220223 NA MeJP NA NA +MJ063064 Verticillatine; 12,13-Dihydro, O21-Me C26H31NO5 437.220223 NA MeJP NA NA +MJ063065 Vertine, 12,13-Dihydro C26H31NO5 437.220223 NA MeJP NA NA +MJ063066 Vertine, 5-Epimer, 12,13-dihydro C26H31NO5 437.220223 NA MeJP NA NA +3219 calpain inhibitor TIPPEYR 437.2205 MH2+ Inhouse_peptide NA peptide +PJ001451 QKY C20H31N5O6 437.2274 NA PeJP NA NA +PJ001452 GAKY C20H31N5O6 437.2275 NA PeJP NA NA +MJ063067 4-[[2-[[[4-(Aminomethyl)cyclohexyl]carbonyl]amino]-1-oxo-3-phenylpropyl]amino]benzeneacetic acid C25H31N3O4 437.231456 NA MeJP NA NA +MJ063068 7-Hydroxypleurocorine C25H31N3O4 437.231456 NA MeJP NA NA +MJ063069 Alpertine C25H31N3O4 437.231456 NA MeJP NA NA +MJ063070 Lunaridine C25H31N3O4 437.231456 NA MeJP NA NA +MJ063071 Lunarine C25H31N3O4 437.231456 NA MeJP NA NA +MJ063072 N1,N10-Dicoumaroylspermidine C25H31N3O4 437.231456 NA MeJP NA NA +MJ063073 N1,N5-Di-4-coumaroylspermidine C25H31N3O4 437.231456 NA MeJP NA NA +C10603 Lunarine C25H31N3O4 437.2315 NA KEGG NA NA +PJ001453 GPKH C19H31N7O5 437.2387 NA PeJP NA NA +MJ063074 Delboxine; 8-O-de-Me C23H35NO7 437.241352 NA MeJP NA NA +MJ063075 Ibukinamine C23H35NO7 437.241352 NA MeJP NA NA +MJ063076 Sarracine; O-(3-Hydroxy-3-methylbutanoyl) C23H35NO7 437.241352 NA MeJP NA NA +MJ063077 Diphenethindole C29H31N3O 437.246712 NA MeJP NA NA +3761 dipeptidyl carboxypeptidase inhibitor PPPK 437.25 ACE inhibitor Inhouse_peptide NA peptide +EUR831 Lyso PE 16:1 [M-H-CH3]- C21H42NO7P 437.254242 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR831 Lyso PE 16:1 [M-H-CH3]- C21H42NO7P 437.254242 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR831 Lyso PE 16:1 [M-H-CH3]- C21H42NO7P 437.254242 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR831 Lyso PE 16:1 [M-H-CH3]- C21H42NO7P 437.254242 masses lipides attendues Inhousejuil11 NA NA +MJ063078 Alletorphine C27H35NO4 437.256608 NA MeJP NA NA +MJ063079 Lythrancine I; 4-Deoxy C27H35NO4 437.256608 NA MeJP NA NA +MJ063080 Nantradol C27H35NO4 437.256608 NA MeJP NA NA +PJ001454 KKY C21H35N5O5 437.2638 NA PeJP NA NA +MJ063081 Isoleucylamiclenomycylglutamic acid; Amide C21H35N5O5 437.263819 NA MeJP NA NA +8164 antimicrobial peptide derived from aS1-casein (1-7) RPKHPIK 437.2675 MH2+ Inhouse_peptide NA peptide +MJ063082 21-Chloro-3-hydroxy-2-(4-morpholinyl)pregnan-20-one C25H40ClNO3 437.269671 NA MeJP NA NA +C13804 ORG 20599 C25H40ClNO3 437.2697 NA KEGG NA NA +MJ063083 10-Hydroxyperegrine; O-De-Ac C24H39NO6 437.277737 NA MeJP NA NA +MJ063084 Acoseptrine; 10-Deoxy, 6-Me ether C24H39NO6 437.277737 NA MeJP NA NA +MJ063085 Akirane; O-De-Ac C24H39NO6 437.277737 NA MeJP NA NA +MJ063086 Dihydrogadesine; O1,O14-Di-Me, O6-de-Me C24H39NO6 437.277737 NA MeJP NA NA +MJ063087 Dihydrogadesine; O1-Me C24H39NO6 437.277737 NA MeJP NA NA +MJ063088 Neoline C24H39NO6 437.277737 NA MeJP NA NA +MJ063089 Norerythrostachamide C24H39NO6 437.277737 NA MeJP NA NA +MJ063090 Norerythrostachamine C24H39NO6 437.277737 NA MeJP NA NA +MJ063091 Talatizamine; 10-Hydroxy C24H39NO6 437.277737 NA MeJP NA NA +MJ063092 Talatizamine; 3?-Hydroxy C24H39NO6 437.277737 NA MeJP NA NA +MJ063093 Virescenine; O14-Me C24H39NO6 437.277737 NA MeJP NA NA +HMDB11152 PE(P-16:0e/0:0) C21H44NO6P 437.290619 NA HMDB2010 NA NA +MJ063094 Aflavinine; 20?,25-Dihydroxy C28H39NO3 437.292994 NA MeJP NA NA +MJ063095 Terpendole F; 19-Deoxy C28H39NO3 437.292994 NA MeJP NA NA +MJ063096 Ussuriedine; O18-Me C28H39NO3 437.292994 NA MeJP NA NA +C15720 Lyngbyatoxin C27H39N3O2 437.3042 NA KEGG NA NA +MJ063097 Indolactam V, 7-(3,7-Dimethyl-2,6-octadienyl) C27H39N3O2 437.304227 NA MeJP NA NA +MJ063098 Asmarine C C26H39N5O 437.31546 NA MeJP NA NA +MJ063099 Agelasine A; 18-Hydroxy C26H40N5O(+) 437.31546 NA MeJP NA NA +MJ063100 Agelasine I C26H40N5O(+) 437.31546 NA MeJP NA NA +2798 peptide toxic from alpha-gliadin YPQPQPF 437.7015 MH2+ Inhouse_peptide NA peptide +MJ063101 1,1,2,4-Tetrabromo-1-octen-3-one C8H10Br4O 437.746515 NA MeJP NA NA +MJ063102 1,1,8-Tribromo-5,6-dichloro-2,6-dimethyl-1,3,7-octatriene C10H11Br3Cl2 437.778793 NA MeJP NA NA +MJ063103 2,5,6-Tribromo-N-methylgramine; 1'-N- Oxide C12H13Br3N2O 437.8578 NA MeJP NA NA +C11744 Salvarsan C12H12As2N2O2 437.8864 NA KEGG NA NA +MJ063104 Okamurallene chlorohydrin C15H17Br2ClO3 437.923297 NA MeJP NA NA +MJ063105 Dysideathiazole; 10-Dechloro, N-Me C14H19Cl5N2OS 437.966072 NA MeJP NA NA +C11123 Pyrazolate C19H16Cl2N2O4S 438.0208 NA KEGG NA NA +C08414 Glucolimnanthin C15H20NO10S2 438.0529 NA KEGG NA NA +MJ063106 Epicorazine A; 6-Epimer, 2,3-dihydro, 3?-hydroxy C18H18N2O7S2 438.055542 NA MeJP NA NA +MJ063107 Bartramic acid C22H14O10 438.058696 NA MeJP NA NA +MJ063108 Benzo[1,2-b:4,5-b']bisbenzofuran-2,3,6,8,9,12-hexol; 6,12-Di-Ac C22H14O10 438.058696 NA MeJP NA NA +MJ063109 Peniosanguin C26H14O7 438.073952 NA MeJP NA NA +MJ063110 5-[(2,4-Dioxo-5-thiazolidinyl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide C20H17F3N2O4S 438.086112 NA MeJP NA NA +EUR354 Flavine adenine dinucleotide F4 F4 438.089175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR354 Flavine adenine dinucleotide F4 NA 438.089175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR354 Flavine adenine dinucleotide F4 F4 438.089175 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR354 Flavine adenine dinucleotide F4 NA 438.089175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR354 Flavine adenine dinucleotide F4 F4 438.089175 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR354 Flavine adenine dinucleotide F4 NA 438.089175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR354 Flavine adenine dinucleotide F4 F4 438.089175 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR354 Flavine adénine dinucléotide F4 F4 438.089175 standards wishlist analysés sur QTOF HMDB NA NA +EUR354 Flavine adenine dinucleotide F4 F4 438.089175 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR354 Flavine adenine dinucleotide F4 NA 438.089175 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR354 Flavine adenine dinucleotide F4 F4 438.089175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR354 Flavine adenine dinucleotide F4 F4 438.089175 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ063111 Riboflavine; 4',5'-Cyclic phosphate C17H19N4O8P 438.09405 NA MeJP NA NA +C16071 Riboflavin cyclic-4',5'-phosphate C17H19N4O8P 438.0941 NA KEGG NA NA +C16072 Aliphatic nitrile CNR 438.0941 NA KEGG NA NA +FL4DAANC0005 Hypnum acid methyl ester;3,5,7,4'-Tetrahydroxyflavanone 3'-(4-hydroxybenzoic acid methyl ester) C23H18O9 438.09508 156024-79-2 knapsack NA NA +MJ063112 9-[(2,3-Dihydro-6-hydroxy-2-(hydroxymethyl)-3-benzofuranyl)oxy]-3,10-dihydroxy-6H-dibenzo[b,d]pyran-6-one; 7'-Methoxy C23H18O9 438.095082 NA MeJP NA NA +MJ063113 Cadensin G; 3'-Demethoxy C23H18O9 438.095082 NA MeJP NA NA +MJ063114 Hypnum acid; Me ester C23H18O9 438.095082 NA MeJP NA NA +MJ063115 Dotefonium(1+), Bromide C20H27BrN2O2S 438.097661 NA MeJP NA NA +EUR445 Flavine Mononucleotide F3 F3 438.100275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR445 Flavine Mononucleotide F3 NA 438.100275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR445 Flavine Mononucleotide F3 F3 438.100275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR445 Flavine Mononucleotide F3 NA 438.100275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR445 Flavine Mononucleotide F3 F3 438.100275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR445 Flavine Mononucleotide F3 NA 438.100275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR445 Flavine Mononucleotide F3 F3 438.100275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR445 Flavine Mononucléotide F3 F3 438.100275 standards wishlist analysés sur QTOF HMDB NA NA +EUR445 Flavine Mononucleotide F3 F3 438.100275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR445 Flavine Mononucleotide F3 NA 438.100275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR445 Flavine Mononucleotide F3 F3 438.100275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR445 Flavine Mononucleotide F3 F3 438.100275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ001455 SCDD C14H22N4O10S 438.1057 NA PeJP NA NA +MJ063116 2,6-Dihydroxy-3-(2-hydroxybenzyl)benzoic acid; 5'-Hydroxy, 2'-O-?-D-glucopyranoside C20H22O11 438.116211 NA MeJP NA NA +MJ063117 2-Methyl-1,4-benzenediol; 4-O-(6-O-3,4,5-Trihydroxybenzoyl-?-D-glucopyranoside) C20H22O11 438.116211 NA MeJP NA NA +MJ063118 3,3',4,4',5,7-Hexahydroxyflavan, 3-O-?-L-Arabinopyranoside C20H22O11 438.116211 NA MeJP NA NA +MJ063119 3,4-Dihydroxybenzyl alcohol; 1'-O-(3,4-Dihydroxybenzoyl), 4-O-?-D-glucopyranoside C20H22O11 438.116211 NA MeJP NA NA +MJ063120 3-(3,4-Dihydroxyphenyl)-2-hydroxy-1-(2,3,4-trihydroxyphenyl)-1-propanone, 3'-O-?-D-Xylopyranoside C20H22O11 438.116211 NA MeJP NA NA +MJ063121 3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone; 3'-Me ether C20H22O11 438.116211 NA MeJP NA NA +MJ063122 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(2,6-Di-O-acetyl-?-D-glucopyranoside) C20H22O11 438.116211 NA MeJP NA NA +MJ063123 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(3,6-Di-O-acetyl-?-D-glucopyranoside) C20H22O11 438.116211 NA MeJP NA NA +MJ063124 Ammiol; O-?-D-Glucopyranoside C20H22O11 438.116211 NA MeJP NA NA +MJ063125 Equisetumpyrone; 4'-Me ether C20H22O11 438.116211 NA MeJP NA NA +MJ063126 Odontoside C20H22O11 438.116211 NA MeJP NA NA +MJ063127 Salicin; 6'-O-(3,4,5-Trihydroxybenzoyl) C20H22O11 438.116211 NA MeJP NA NA +MJ063128 Menispermacide C21H26O6S2 438.117079 NA MeJP NA NA +MJ063129 [3-(4,5-Diphenyl[2,4'-bioxazol]-5'-yl)phenoxy]acetic acid C26H18N2O5 438.121571 NA MeJP NA NA +PJ001456 GCEM C15H26N4O7S2 438.1243 NA PeJP NA NA +MJ063130 Speranculatine A; 5-Epimer, N1'-de-Me C19H22N2O10 438.127444 NA MeJP NA NA +MJ063131 Cystothiazole A; 14-Hydroxy C20H26N2O5S2 438.128313 NA MeJP NA NA +MJ063132 Cystothiazole A; 15-Hydroxy C20H26N2O5S2 438.128313 NA MeJP NA NA +MJ063133 Diethylmethyl[(10-phenothiazinylcarbonyl)methyl]ammonium(1+); Methyl sulfate C20H26N2O5S2 438.128313 NA MeJP NA NA +MJ063134 Melithiazoles; Melithiazole N, 11?,12-Dihydro C20H26N2O5S2 438.128313 NA MeJP NA NA +MJ063135 Spiraprilat C20H26N2O5S2 438.128313 NA MeJP NA NA +FLIFWYNF0003 Villinol C24H22O8 438.13146 65160-17-0 knapsack NA NA +MJ063136 4-Formyl-3,8-dihydroxy-9-methyl-1,6-bis(1-methyl-1-propenyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid C24H22O8 438.131467 NA MeJP NA NA +MJ063137 Auranticin A; 1'''-Aldehyde C24H22O8 438.131467 NA MeJP NA NA +MJ063138 Benzo[1,2-b:4,5-b']bisbenzofuran-2,3,6,8,9,12-hexol; Hexa-Me ether C24H22O8 438.131467 NA MeJP NA NA +MJ063139 Conrauinone A C24H22O8 438.131467 NA MeJP NA NA +MJ063140 Desertorin A; 7,7'-Di-Me ether C24H22O8 438.131467 NA MeJP NA NA +MJ063141 Isokotanin A C24H22O8 438.131467 NA MeJP NA NA +MJ063142 Kotanin C24H22O8 438.131467 NA MeJP NA NA +MJ063143 Propolisbenzofuran B C24H22O8 438.131467 NA MeJP NA NA +MJ063144 Sumatrol; 6a,12a-Didehydro, 6?-methoxy C24H22O8 438.131467 NA MeJP NA NA +MJ063145 Thonningine C C24H22O8 438.131467 NA MeJP NA NA +MJ063146 Phlomiol C17H26O13 438.13734 NA MeJP NA NA +PJ001457 CMW C19H26N4O4S2 438.1396 NA PeJP NA NA +MJ063147 4-[2-(2-Benzoxazolylmethylamino)ethoxy]-?-(2,2,2-trifluoroethoxy)benzenepropanoic acid C21H21F3N2O5 438.140256 NA MeJP NA NA +MJ063148 Ambliol A; 15-Bromo, 8-oxo, Ac C22H31BrO4 438.140572 NA MeJP NA NA +PJ001458 SSDM C15H26N4O9S 438.1421 NA PeJP NA NA +MJ063149 Kopsifine C23H22N2O7 438.142701 NA MeJP NA NA +MJ063150 Isoplagiochin A; 10-Hydroxy C28H22O5 438.146723 NA MeJP NA NA +MJ063151 Marchantinquinone C28H22O5 438.146723 NA MeJP NA NA +MJ063152 Ptychantol A; 6'-Hydroxy C28H22O5 438.146723 NA MeJP NA NA +MJ063153 Ptychantol A; 8?-Hydroxy C28H22O5 438.146723 NA MeJP NA NA +MJ063154 Pranazepide C26H19FN4O2 438.149204 NA MeJP NA NA +MJ063155 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1,8,13-Tri-Ac C21H26O10 438.152597 NA MeJP NA NA +MJ063156 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8,10,13-Tri-Ac C21H26O10 438.152597 NA MeJP NA NA +MJ063157 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2-propenoyl), 13-Ac C21H26O10 438.152597 NA MeJP NA NA +MJ063158 1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 14-Hydroxy, 8-(2-hydroxymethylpropenoyl), 13-Ac C21H26O10 438.152597 NA MeJP NA NA +MJ063159 15-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,8-diolide, 15-O-?-D-Glucopyranoside C21H26O10 438.152597 NA MeJP NA NA +MJ063160 4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8,10,13-Tri-Ac C21H26O10 438.152597 NA MeJP NA NA +MJ063161 7,7a-Dihydro-3,6,7-trihydroxy-1a-(3-methyl-2-butenyl)naphth[2,3-b]oxiren-2(1aH)-one; 3-O-?-D-Glucopyranoside C21H26O10 438.152597 NA MeJP NA NA +MJ063162 7-Hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromone; 7-O-?-D-Glucopyranoside C21H26O10 438.152597 NA MeJP NA NA +MJ063163 8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 15-O-?-D-Glucopyranoside C21H26O10 438.152597 NA MeJP NA NA +MJ063164 Bambusicolaside V C21H26O10 438.152597 NA MeJP NA NA +MJ063165 Bruceolide C21H26O10 438.152597 NA MeJP NA NA +MJ063166 Hamaudol, 3-O-?-D-Glucopyranoside C21H26O10 438.152597 NA MeJP NA NA +MJ063167 Peucenin; 4'-?-D-(Glucopyranosyloxy) C21H26O10 438.152597 NA MeJP NA NA +MJ063168 Peucenin; 4'-Hydroxy, 7-O-?-D-glucopyranoside C21H26O10 438.152597 NA MeJP NA NA +MJ063169 Secoeranthin; 4'-O-?-D-Glucopyranoside C21H26O10 438.152597 NA MeJP NA NA +C09465 Glaucolide B C21H26O10 438.1526 NA KEGG NA NA +C17484 sec-o-Glucosylhamaudol C21H26O10 438.1526 NA KEGG NA NA +MJ063170 11,17,21-Trihydroxypregn-4-ene-3,20-dione, 21-O-(Hydrogen dithiocarbonate) C22H30O5S2 438.153465 NA MeJP NA NA +MJ063171 Thaxtomin A C22H22N4O6 438.153934 NA MeJP NA NA +PJ001459 GPCY C19H26N4O6S 438.1573 NA PeJP NA NA +MJ063172 Asterriquinone D; 2'-(3-Methyl-2-butenyl), di-O-de-Me C27H22N2O4 438.157957 NA MeJP NA NA +MJ063173 Asterriquinone D; 5'-(3-Methyl-2-butenyl), di-O-de-Me C27H22N2O4 438.157957 NA MeJP NA NA +MJ063174 Asterriquinone D; 6'-(3-Methyl-2-butenyl), di-O-de-Me C27H22N2O4 438.157957 NA MeJP NA NA +PJ001460 GTMM C16H30N4O6S2 438.1607 NA PeJP NA NA +MJ063175 1,2,3,4,6,7,8,12b-Octahydro-7-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-6-oxopyrido[2,1-a]benzazepine-4-carboxylic acid C24H26N2O4S 438.161328 NA MeJP NA NA +MJ063176 Methasquin C21H22N6O5 438.165167 NA MeJP NA NA +FL2FAANP0018 1'''-Hydroxy-2''',3'''-Epoxylupinifolin;5,4-Dihydroxy-8-(1-hydroxy-2,3-epoxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone C25H26O7 438.16785 349491-03-8 knapsack NA NA +FL3FAANI0008 5,7-Dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)phenyl]-6-(2-hydroxy-3-methyl-3-butenyl)-4H-1-benzopyran-4-one C25H26O7 438.16785 149182-50-3 knapsack NA NA +FL3FALNP0008 Morusinol;Oxydihydromorusin;2-(2,4-Dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C25H26O7 438.16785 62949-93-3 knapsack NA NA +FL3FALNP0017 Morusignin L;8-(2,4-Dihydroxyphenyl)-5-hydroxy-7-(3-hydroxy-3-methylbutyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one C25H26O7 438.16785 149733-95-9 knapsack NA NA +FL5FACNF0002 Broussonol C;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-8,9-dihydro-3,5-dihydroxy-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one C25H26O7 438.16785 370563-86-3 knapsack NA NA +FL5FACNI0005 Broussonol E;Papyriflavonol A;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C25H26O7 438.16785 363134-28-5 knapsack NA NA +FL5FACNI0006 Broussonol D;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C25H26O7 438.16785 370563-90-9 knapsack NA NA +FL5FALNI0001 Kushenol C C25H26O7 438.16785 99119-73-0 knapsack NA NA +FLIAALNF0006 Lupinisoflavone J C25H26O7 438.16785 121747-95-3 knapsack NA NA +FLIAALNF0007 Lupinisoflavone I C25H26O7 438.16785 121768-55-6 knapsack NA NA +FLIAALNF0009 Lupinisoflavone H C25H26O7 438.16785 121747-92-0 knapsack NA NA +FLIAALNI0016 Lupinisol C C25H26O7 438.16785 121748-01-4 knapsack NA NA +FLIAALNI0017 Lupinisol B C25H26O7 438.16785 121748-00-3 knapsack NA NA +FLIAALNP0014 Lupinisolone C C25H26O7 438.16785 121747-98-6 knapsack NA NA +FLIAALNP0016 Lupinisolone B C25H26O7 438.16785 121747-97-5 knapsack NA NA +MJ063177 2',4',5,5',7-Pentahydroxy-3,6-diprenylflavone C25H26O7 438.167853 NA MeJP NA NA +MJ063178 2',4',5,5',7-Pentahydroxy-3,8-diprenylflavone C25H26O7 438.167853 NA MeJP NA NA +MJ063179 2',4',5,7-Tetrahydroxy-3',6-diprenylisoflavone; ?3''-Isomer, 2''-hydroxy C25H26O7 438.167853 NA MeJP NA NA +MJ063180 2',4',5,7-Tetrahydroxy-6,8-diprenylisoflavone; ?3'''-Isomer, 2'''-hydroxy C25H26O7 438.167853 NA MeJP NA NA +MJ063181 2',4',5,7-Tetrahydroxy-6,8-diprenylisoflavone; ?3''-Isomer, 2''-hydroxy C25H26O7 438.167853 NA MeJP NA NA +MJ063182 Albanin C C25H26O7 438.167853 NA MeJP NA NA +MJ063183 Auriculatin; 1'',2''-Dihydro, 2''-hydroxy C25H26O7 438.167853 NA MeJP NA NA +MJ063184 Cneorin C C25H26O7 438.167853 NA MeJP NA NA +MJ063185 Cudraflavone B; 2'',3''-Dihydro, 3''-hydroxy C25H26O7 438.167853 NA MeJP NA NA +MJ063186 Erysenegalensein O C25H26O7 438.167853 NA MeJP NA NA +MJ063187 Euchrenone b10; 2'-Hydroxy C25H26O7 438.167853 NA MeJP NA NA +MJ063188 Garvalone B C25H26O7 438.167853 NA MeJP NA NA +MJ063189 Isochandalone; 2',3''-Dihydroxy, 2'',3''-dihydro C25H26O7 438.167853 NA MeJP NA NA +MJ063190 Kushenol C C25H26O7 438.167853 NA MeJP NA NA +MJ063191 Lupinisoflavone E C25H26O7 438.167853 NA MeJP NA NA +MJ063192 Lupinisoflavone G; 2'-Hydroxy C25H26O7 438.167853 NA MeJP NA NA +MJ063193 Lupinisoflavone I C25H26O7 438.167853 NA MeJP NA NA +MJ063194 Lupinisoflavone J C25H26O7 438.167853 NA MeJP NA NA +MJ063195 Lupinisol C C25H26O7 438.167853 NA MeJP NA NA +MJ063196 Lupinisolone B C25H26O7 438.167853 NA MeJP NA NA +MJ063197 Lupinisolone C C25H26O7 438.167853 NA MeJP NA NA +MJ063198 Morusinol C25H26O7 438.167853 NA MeJP NA NA +MJ063199 Mulberranol C25H26O7 438.167853 NA MeJP NA NA +MJ063200 Sanggenol F C25H26O7 438.167853 NA MeJP NA NA +MJ063201 [p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',3',4,4'',6'-Penta-Me ether, 5'-Ac C25H26O7 438.167853 NA MeJP NA NA +MJ063202 Siphonodictyal D C22H30O7S 438.171224 NA MeJP NA NA +PJ001461 QEY C19H26N4O8 438.1751 NA PeJP NA NA +PJ001462 STTM C16H30N4O8S 438.1784 NA PeJP NA NA +MJ063203 6-(3-Methyl-2-butenyl)-1-phenazinecarboxylic acid; 6-Deoxy-?-L-talopyranosyl ester C24H26N2O6 438.179086 NA MeJP NA NA +MJ063204 Kopsijasmine, 11,12-Methylenedioxy C24H26N2O6 438.179086 NA MeJP NA NA +MJ063205 Suxibuzone C24H26N2O6 438.179086 NA MeJP NA NA +C15305 9-Chloro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate C23H31ClO6 438.1809 NA KEGG NA NA +MJ063206 Punaglandin 7 C23H31ClO6 438.180916 NA MeJP NA NA +MJ063207 2,4-Bis(4-hydroxybenzyl)-5-methoxy-3-(2-phenylethenyl)phenol C29H26O4 438.183109 NA MeJP NA NA +MJ063208 Marchantin C; 1'-Me ether C29H26O4 438.183109 NA MeJP NA NA +MJ063209 Marchantin C; 11-Deoxy, 13-methoxy C29H26O4 438.183109 NA MeJP NA NA +MJ063210 Marchantin C; 11-Me ether C29H26O4 438.183109 NA MeJP NA NA +MJ063211 Neomarchantin A; 12'-Me ether C29H26O4 438.183109 NA MeJP NA NA +MJ063212 Plagiochin D C29H26O4 438.183109 NA MeJP NA NA +MJ063213 Riccardin A C29H26O4 438.183109 NA MeJP NA NA +MJ063214 Riccardin C; 9-Me ether C29H26O4 438.183109 NA MeJP NA NA +MJ063215 Riccardin D; O1'-Me C29H26O4 438.183109 NA MeJP NA NA +MJ063216 Riccardin D; O13-Me C29H26O4 438.183109 NA MeJP NA NA +PJ001463 GPEH C18H26N6O7 438.1863 NA PeJP NA NA +MJ063217 3,8,9,10-Tetrahydroxy-1-oxo-11(13)-germacren-12,6-olide, 8-Angeloyl, 9-Ac C22H30O9 438.188982 NA MeJP NA NA +MJ063218 8,17-Epoxy-2,3,9,14-tetrahydroxy-12-oxo-5-briaren-18,7-olide; 2-Ac C22H30O9 438.188982 NA MeJP NA NA +MJ063219 8,9,10,15-Tetrahydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl), 9-Ac C22H30O9 438.188982 NA MeJP NA NA +MJ063220 8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 4?,5-Dihydro, 8-(2-methylpropanoyl), 9-Ac, Me ester C22H30O9 438.188982 NA MeJP NA NA +MJ063221 9'-(3-Hydroxy-3-methylglutaroyloxy)abscisic acid; 5'-Me ester C22H30O9 438.188982 NA MeJP NA NA +MJ063222 Glaucarubol; 15-Ac C22H30O9 438.188982 NA MeJP NA NA +MJ063223 Glaucarubol; ?4-Isomer, 15-Ac C22H30O9 438.188982 NA MeJP NA NA +MJ063224 Klaineanone; 14?,15?-Dihydroxy, 15-Ac C22H30O9 438.188982 NA MeJP NA NA +MJ063225 Klaineanone; 6?,15?-Dihydroxy, 15-Ac C22H30O9 438.188982 NA MeJP NA NA +MJ063226 Neosolaniol; 8-Propanoyl C22H30O9 438.188982 NA MeJP NA NA +MJ063227 Phlebotrichin C22H30O9 438.188982 NA MeJP NA NA +MJ063228 Teucrolin D C22H30O9 438.188982 NA MeJP NA NA +8037 synthetic peptide PHW 438.189 antibacterial Inhouse_peptide NA peptide +8043 synthetic peptide PWH 438.189 antioxidative Inhouse_peptide NA peptide +PJ001464 AYW C23H26N4O5 438.1903 NA PeJP NA NA +7851 NA YGGFMRF 438.1912 MH2+ Inhouse_peptide NA peptide +PJ001465 AAMF C20H30N4O5S 438.1937 NA PeJP NA NA +MJ063229 Ochrindole A; O1-De-Me C28H26N2O3 438.194342 NA MeJP NA NA +MJ063230 Mirincamycin C19H35ClN2O5S 438.19552 NA MeJP NA NA +3767 dipeptidyl carboxypeptidase inhibitor PPEP 438.198 ACE inhibitor Inhouse_peptide NA peptide +3777 dipeptidyl carboxypeptidase inhibitor PPPE 438.198 ACE inhibitor Inhouse_peptide NA peptide +PJ001466 PHW C22H26N6O4 438.2016 NA PeJP NA NA +MJ063231 N,N'-Bis(4-amino-2-methyl-6-quinolinyl)-1,3,5-triazin-2,4,6-triamine C23H22N10 438.20289 NA MeJP NA NA +C17446 Kurarinone C26H30O6 438.2042 NA KEGG NA NA +FL1C28NI0002 Homoflemingin C26H30O6 438.20423 18296-15-6 knapsack NA NA +FL1CA8NI0001 Flemiwallichin C C26H30O6 438.20423 68027-38-3 knapsack NA NA +FL1CADNI0001 Antiarone D C26H30O6 438.20423 130756-17-1 knapsack NA NA +FL1CAENI0001 Antiarone E C26H30O6 438.20423 130756-18-2 knapsack NA NA +FL1CAENI0002 Antiarone C C26H30O6 438.20423 130756-16-0 knapsack NA NA +FL1CALNI0002 Kuraridin C26H30O6 438.20423 34981-25-4 knapsack NA NA +FL2FA8NI0003 Exiguaflavanone B C26H30O6 438.20423 142608-99-9 knapsack NA NA +FL2FA8NI0004 Exiguaflavanone F C26H30O6 438.20423 149725-19-9 knapsack NA NA +FL2FABNI0009 Burttinone;5,7-Dihydroxy-4'-methoxy-3'-prenyl-5'-[(3-methyl-2-butenyl)phenyl]flavanone C26H30O6 438.20423 213819-43-3 knapsack NA NA +FL2FADNI0003 Hiravanone;(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C26H30O6 438.20423 126199-36-8 knapsack NA NA +FL2FAENI0001 4'-O-Methyldiplacone C26H30O6 438.20423 - knapsack NA NA +FL2FALNI0003 Isokurarinone C26H30O6 438.20423 52483-02-0 knapsack NA NA +FL2FALNI0005 Flemiflavanone A C26H30O6 438.20423 71306-29-1 knapsack NA NA +FL2FALNI0007 Leachianone A C26H30O6 438.20423 97938-31-3 knapsack NA NA +FL2FALNI0020 Leachianone B C26H30O6 438.20423 138870-83-4 knapsack NA NA +FL2FALNI0026 Maackiaflavanone C26H30O6 438.20423 156162-10-6 knapsack NA NA +FL2FALNI0033 (2S)-5,7,4'-Trihydroxy-2'-methoxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone C26H30O6 438.20423 460345-18-0 knapsack NA NA +FL2FALNI0038 Kurarinone;7,2',4'-Trihydroxy-8-lavandulyl-5-methoxyflavanone C26H30O6 438.20423 34981-26-5 knapsack NA NA +FL2FCCNI0001 Amoradicin C26H30O6 438.20423 83677-03-6 knapsack NA NA +FL4DBANI0002 Bonanniol B C26H30O6 438.20423 96917-37-2 knapsack NA NA +FLIBALNI0004 Isosophoranone C26H30O6 438.20423 64280-18-8 knapsack NA NA +FLIBALNI0005 Sophoraisoflavanone B C26H30O6 438.20423 77369-91-6 knapsack NA NA +MJ063232 2',3,4,4',6'-Pentahydroxy-2,3'-diprenylchalcone, 3-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063233 2',3,4,4',6'-Pentahydroxy-2,3'-diprenylchalcone, 4-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063234 2',3,4,4',6'-Pentahydroxy-2,5-diprenylchalcone, 4-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063235 2',4',5,7-Tetrahydroxy-3',6-diprenylisoflavanone, 2'-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063236 2',4',5,7-Tetrahydroxy-3',6-diprenylisoflavanone, 7-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063237 2',4',5,7-Tetrahydroxy-3',8-diprenylisoflavanone, 4'-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063238 2',4',5,7-Tetrahydroxy-3',8-diprenylisoflavanone, 2'-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063239 2',4',5,7-Tetrahydroxy-5',6-diprenylisoflavanone; 4'-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063240 2',4',5,7-Tetrahydroxy-5',8-diprenylflavanone, 7-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063241 2',4',5,7-Tetrahydroxy-6,8-diprenylflavanone, 4'-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063242 2',5,5',7-Tetrahydroxy-8-lavandulylflavanone, 7-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063243 3',4',5,7-Tetrahydroxy-2',5'-diprenylflavanone, 4'-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063244 3',4',5,7-Tetrahydroxy-2',6-diprenylflavanone, 4'-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063245 3',4',5,7-Tetrahydroxy-2',8-diprenylflavanone, 3'-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063246 3',4',5,7-Tetrahydroxy-6,8-diprenylflavanone, 3'-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063247 3',4',5,7-Tetrahydroxy-6,8-diprenylflavanone, 7-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063248 3,4-Dihydro-5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methyl-2-butenyl)-4-oxo-?-phenyl-2H-1-benzopyran-8-propanoic acid C26H30O6 438.204238 NA MeJP NA NA +MJ063249 3,6a,9-Trihydroxy-2,10-diprenylpterocarpan; 1-Methoxy C26H30O6 438.204238 NA MeJP NA NA +MJ063250 4',5,7-Trihydroxy-3',5'-diprenylflavanone, ?1''-Isomer, 3''-hydroxy, 4'-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063251 5'-(1,1-Dimethyl-2-propenyl)-2',4',5,7-tetrahydroxy-6-prenylisoflavanone; 2'-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063252 5'-Geranyl-2',4',5,7-tetrahydroxyflavanone, 4'-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063253 7-O-(3-Hydroxy-7-drimen-11-yl)isofraxidin, 1',2'-Didehydro, 3'-ketone C26H30O6 438.204238 NA MeJP NA NA +MJ063254 7-O-(3-Hydroxy-8(12)-drimen-11-yl)isofraxidin, 3'-Ketone, 1',2'-didehydro C26H30O6 438.204238 NA MeJP NA NA +MJ063255 7-O-(3-Hydroxy-8(12)-drimen-11-yl)isofraxidin C26H30O6 438.204238 NA MeJP NA NA +MJ063256 Bonannione A; 3R-Hydroxy, 5-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063257 Cedrelone; 11?-Hydroxy C26H30O6 438.204238 NA MeJP NA NA +MJ063258 Cedrelone; 11?-Hydroxy C26H30O6 438.204238 NA MeJP NA NA +MJ063259 Debromohydroxymarinone; 13-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063260 Desmodianone C C26H30O6 438.204238 NA MeJP NA NA +MJ063261 Diplacone, 3'-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063262 Exiguaflavanone A; 7-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063263 Flemiwallichin C C26H30O6 438.204238 NA MeJP NA NA +MJ063264 Gedunin; 7-Deacetoxy, 7-ketone C26H30O6 438.204238 NA MeJP NA NA +MJ063265 Homoflemingin C26H30O6 438.204238 NA MeJP NA NA +MJ063266 Kenusanone H; 2'-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063267 Kuraridin C26H30O6 438.204238 NA MeJP NA NA +MJ063268 Kushenol F; 2'-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063269 Leachianone B C26H30O6 438.204238 NA MeJP NA NA +MJ063270 O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone, 6'-Ketone, O-Ac C26H30O6 438.204238 NA MeJP NA NA +MJ063271 O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone, 3'-Ketone, 6'-Ac C26H30O6 438.204238 NA MeJP NA NA +MJ063272 Pterochromene L3 C26H30O6 438.204238 NA MeJP NA NA +MJ063273 Sophoraflavanone G; 2'-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063274 Sophoraflavanone G; 2-Epimer, 5-Me ether C26H30O6 438.204238 NA MeJP NA NA +MJ063275 Sophoraflavanone G; 5-Me ether C26H30O6 438.204238 NA MeJP NA NA +PJ001467 KEY C20H30N4O7 438.2115 NA PeJP NA NA +MJ063276 Hypercratine C25H30N2O5 438.215472 NA MeJP NA NA +MJ063277 Obscurinervine C25H30N2O5 438.215472 NA MeJP NA NA +MJ063278 Quinaprilat; Et ester C25H30N2O5 438.215472 NA MeJP NA NA +MJ063279 Vincamajine; 10-Methoxy, O-Ac C25H30N2O5 438.215472 NA MeJP NA NA +MJ063280 Vincamajine; 11-Methoxy, O-Ac C25H30N2O5 438.215472 NA MeJP NA NA +C07398 Quinapril C25H30N2O5 438.2155 NA KEGG NA NA +MJ063281 5,7-Diethyl-3,4-dihydro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1,6-naphthyridin-2(1H)-one C26H26N6O 438.216809 NA MeJP NA NA +CJneg0598 Pantothenic acid [(2M-H)]- C18H33N2O10 438.221925 C18rt(min)=4.77 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0598 Pantothenic acid [(2M-H)]- C18H33N2O10 438.221925 C18rt(min)=4.77 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +PJ001468 TRY C19H30N6O6 438.2227 NA PeJP NA NA +MJ063282 1,2,11-Trihydroxy-12-oxo-7-drimen-15,11-olide, 2-O-(2-Hydroxyoctanoyl) C23H34O8 438.225368 NA MeJP NA NA +MJ063283 1,3,5,11,14,19-Hexahydroxycard-20(22)-enolide C23H34O8 438.225368 NA MeJP NA NA +MJ063284 6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 6,9-Bis(2-methylpropanoyl) C23H34O8 438.225368 NA MeJP NA NA +MJ063285 7,20-Epoxy-1,6,7,11,17-pentahydroxy-15-kauranone, 17-Me ether, 1-Ac C23H34O8 438.225368 NA MeJP NA NA +MJ063286 7,20-Epoxy-6,7,11,17,19-pentahydroxy-15-kauranone, 17-Me ether, 19-Ac C23H34O8 438.225368 NA MeJP NA NA +MJ063287 7,20-Epoxy-6,7,12,17,19-pentahydroxy-15-kauranone, 19-Ac, 17-Me ether C23H34O8 438.225368 NA MeJP NA NA +MJ063288 Lasiokaurinin C23H34O8 438.225368 NA MeJP NA NA +MJ063289 Pyrolagenin; 1-O-?-D-Glucopyranoside C23H34O8 438.225368 NA MeJP NA NA +MJ063290 Octahydro-2-[1-imino-2-(2-methoxyphenyl)ethyl]-7,7-diphenyl-4H-isoindol-4-one C29H30N2O2 438.230728 NA MeJP NA NA +C14880 16alpha,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal with C27H34O5 438.2406 NA KEGG NA NA +FLICALNI0002 7-O-Methyllicoricidin;Licorisoflavan A;(+)-2',4'-Dihydroxy-5,7-dimethoxy-6,3'-diprenylisoflavan C27H34O5 438.24062 129314-37-0 knapsack NA NA +MJ063291 2',4',5,7-Tetrahydroxy-3',6-diprenylisoflavan, 5,7-Di-Me ether C27H34O5 438.240624 NA MeJP NA NA +MJ063292 2,3,22-Trihydroxy-23,24,29-trinor-1,3,5(10),7-friedelatetraene-6,21-dione; 22?-form C27H34O5 438.240624 NA MeJP NA NA +MJ063293 Arisugacin E; 3-Epimer, 4a-deoxy C27H34O5 438.240624 NA MeJP NA NA +MJ063294 Lathyrol; 5-Epimer, ?6-isomer (Z-), 15-benzoyl C27H34O5 438.240624 NA MeJP NA NA +MJ063295 Scopadulcic acid A; Deoxy, 4-epimer C27H34O5 438.240624 NA MeJP NA NA +MJ063296 Tricoccin S43 C27H34O5 438.240624 NA MeJP NA NA +MJ063297 Drocinonide C24H35FO6 438.241767 NA MeJP NA NA +MJ063298 N-[4-[2-(6-Cyano-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]cyclohexyl]-4-quinolinecarboxamide C28H30N4O 438.241961 NA MeJP NA NA +MJ063299 1,4-Bis[2-(diethylamino)ethoxy]anthraquinone C26H34N2O4 438.251857 NA MeJP NA NA +PJ001469 GLLH C20H34N6O5 438.2591 NA PeJP NA NA +MJ063300 13,14,15-Trihydroxy-1(10)-halimen-18-oic acid, 14,15-Di-Ac C24H38O7 438.261753 NA MeJP NA NA +MJ063301 17,18,19-Trihydroxy-2,14-phytadien-20,1-olide, 18,19-Di-Ac C24H38O7 438.261753 NA MeJP NA NA +MJ063302 2,6,10,14-Phytatetraene-1,16,18,19,20-pentol, 18,19-Di-Ac C24H38O7 438.261753 NA MeJP NA NA +MJ063303 3(16)-Fusicoccene-4,8,9,14,18-pentol, 8,18-Di-Ac C24H38O7 438.261753 NA MeJP NA NA +MJ063304 4,6,8,10-Tetrahydroxy-9-daucanone, 6-(2-Methylpropanoyl),10-angeloyl C24H38O7 438.261753 NA MeJP NA NA +MJ063305 6,13-Epoxy-3-eunicellene-8,9,12-triol, 3?,4?-Epoxide, 9,12-di-Ac C24H38O7 438.261753 NA MeJP NA NA +MJ063306 8,13-Epoxy-14-labdene-1,6,7,11-tetrol, 1,6-Di-Ac C24H38O7 438.261753 NA MeJP NA NA +MJ063307 8,13-Epoxy-14-labdene-1,6,7,11-tetrol, 6,11-Di-Ac C24H38O7 438.261753 NA MeJP NA NA +MJ063308 Sacculaplagin C24H38O7 438.261753 NA MeJP NA NA +2665 synthetic fr, of human beta-CN (126-129) ACE inhibitor LPLP 438.272 NA Inhouse_peptide NA peptide +HMDB07850 LPA(0:0/18:0) C21H43O7P 438.274628 NA HMDB2010 NA NA +HMDB07854 LPA(18:0/0:0) C21H43O7P 438.274628 NA HMDB2010 NA NA +MJ063309 1,16-Bis(3,5-dihydroxyphenyl)-6,9-hexadecadiene C28H38O4 438.277009 NA MeJP NA NA +MJ063310 17,19,22,24-Tetrahydroxyturriane; 4,5-Didehydro, 17,22-di-Me ether C28H38O4 438.277009 NA MeJP NA NA +MJ063311 17,19,22,24-Tetrahydroxyturriane; 6,7-Didehydro, 17,22-di-Me ether C28H38O4 438.277009 NA MeJP NA NA +MJ063312 2,15-Dihydroxy-24,28-dinor-1,4,12-oleanatriene-3,16-dione; 15?-form C28H38O4 438.277009 NA MeJP NA NA +MJ063313 2,3-Dihydroxy-24,29-dinor-1,3,5(10)-friedelatriene-6,21-dione C28H38O4 438.277009 NA MeJP NA NA +MJ063314 27-Hydroxy-3-oxowitha-1,4,24-trienolide C28H38O4 438.277009 NA MeJP NA NA +MJ063315 3,22-Dihydroxy-24,29-dinor-1(10),3,5-friedelatriene-2,21-dione; 22?-form C28H38O4 438.277009 NA MeJP NA NA +MJ063316 3-Hydroxyfuranoeremophilan-9-one, 3-(5-Methyl-2E,4E,6E-dodecatrienoyl) C28H38O4 438.277009 NA MeJP NA NA +MJ063317 4,4'-Biphenyldicarboxylic acid; Diheptyl ester C28H38O4 438.277009 NA MeJP NA NA +MJ063318 Antibiotic Mer-NF 8054X; 5-Deoxy, 4,5-didehydro, 3-ketone C28H38O4 438.277009 NA MeJP NA NA +MJ063319 Blazeispirol X C28H38O4 438.277009 NA MeJP NA NA +MJ063320 Canaradial C28H38O4 438.277009 NA MeJP NA NA +MJ063321 Canarol; 7?-Hydroxy C28H38O4 438.277009 NA MeJP NA NA +MJ063322 Claraenone C28H38O4 438.277009 NA MeJP NA NA +MJ063323 Cystoketal C28H38O4 438.277009 NA MeJP NA NA +MJ063324 Tingenin A; 7,8?-Dihydro, 7?-hydroxy C28H38O4 438.277009 NA MeJP NA NA +C09229 Ochrolifuanine A C29H34N4 438.2783 NA KEGG NA NA +MJ063325 Ochrolifuanines C29H34N4 438.278347 NA MeJP NA NA +PJ001470 PPLL C22H38N4O5 438.2842 NA PeJP NA NA +MJ063326 Stearylsulfamide C24H42N2O3S 438.291613 NA MeJP NA NA +MJ063327 Inogatran C21H38N6O4 438.295453 NA MeJP NA NA +MJ063328 10-Aromadendranol, O-[2-Methylpropanoyl-(?2)-?-D-fucopyranoside] C25H42O6 438.298139 NA MeJP NA NA +MJ063329 13-Hydroxy-15-isocopalanoic acid, 2-Acetoxy-3-hydroxypropyl ester C25H42O6 438.298139 NA MeJP NA NA +MJ063330 13-Hydroxy-15-isocopalanoic acid, 3-Acetoxy-2-hydroxypropyl ester C25H42O6 438.298139 NA MeJP NA NA +MJ063331 2,3,4-Trihydroxy-15-clerodanoic acid, 2-Angeloyl C25H42O6 438.298139 NA MeJP NA NA +MJ063332 4-Cubebanol, O-[4-O-(2-Methylbutanoyl)-?-D-xylopyranoside] C25H42O6 438.298139 NA MeJP NA NA +MJ063333 7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-O-(2-hydroxy-2-methylbutanoyl) C25H42O6 438.298139 NA MeJP NA NA +MJ063334 8,14-Labdadiene-13,17-diol; 13?-form, 17-O-?-L-Xylopyranoside C25H42O6 438.298139 NA MeJP NA NA +MJ063335 Arenolide C25H42O6 438.298139 NA MeJP NA NA +MJ063336 Herboxidiene C25H42O6 438.298139 NA MeJP NA NA +MJ063337 Stemodin; 16-O-?-L-Arabinopyranoside C25H42O6 438.298139 NA MeJP NA NA +MJ063338 Bryophollone C29H42O3 438.313395 NA MeJP NA NA +MJ063339 Caloncobalactone C29H42O3 438.313395 NA MeJP NA NA +MJ063340 Pfaffic acid; 3-Ketone C29H42O3 438.313395 NA MeJP NA NA +MJ063341 Salacenonal C29H42O3 438.313395 NA MeJP NA NA +HMDB02498 Taurochenodeoxycholate-7-sulfate C26H46O3S 438.31677 http://www.hmdb.ca/metabolites/HMDB02498 HMDB NA NA +HMDB02498 Taurochenodeoxycholate-7-sulfate C26H46O3S 438.31677 HMDB02498 PFEM_hmdb_metabocards_official NA NA +MJ063342 3,20-Diaminopregna-2,16-dien-4-one, N20,N20-di-Me,N3-tigloyl C28H42N2O2 438.324628 NA MeJP NA NA +MJ063343 3,20-Diaminopregna-5,14-dien-4-one, N20,N20-Di-Me, N3-angeloyl C28H42N2O2 438.324628 NA MeJP NA NA +MJ063344 12,19-Epithio-12,18-oleanadiene C30H46S 438.332022 NA MeJP NA NA +MJ063345 27-Norcholestane-3,7,12,24,26-pentol C26H46O5 438.334524 NA MeJP NA NA +MJ063346 8(17)-Labden-15-ol, O-?-L-Rhamnopyranoside C26H46O5 438.334524 NA MeJP NA NA +HMDB02126 27-nor-5b-cholestane-3a,7a,12a,24,25-pentol C26H46O5 438.33453 http://www.hmdb.ca/metabolites/HMDB02126 HMDB NA NA +HMDB02126 27-nor-5b-cholestane-3a,7a,12a,24,25-pentol C26H46O5 438.33453 HMDB02126 PFEM_hmdb_metabocards_official NA NA +HMDB02126 27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol C26H46O5 438.334534 NA HMDB2010 NA NA +MJ063347 11,12-Epoxy-14-taraxeren-3-ol, 3-Ketone C30H46O2 438.34978 NA MeJP NA NA +MJ063348 12-Lupene-3,28-diol, 3-Ketone, 28-Aldehyde C30H46O2 438.34978 NA MeJP NA NA +MJ063349 12-Oleanene-1,3-diol, Diketone C30H46O2 438.34978 NA MeJP NA NA +MJ063350 12-Oleanene-3,11-diol, Diketone C30H46O2 438.34978 NA MeJP NA NA +MJ063351 12-Oleanene-3,16-diol, Diketone C30H46O2 438.34978 NA MeJP NA NA +MJ063352 12-Oleanene-3,28-diol, 28-Aldehyde, 3-ketone C30H46O2 438.34978 NA MeJP NA NA +MJ063353 12-Ursene-3,11-diol, Diketone C30H46O2 438.34978 NA MeJP NA NA +MJ063354 12-Ursene-3,28-diol, 28-Aldehyde, 3-ketone C30H46O2 438.34978 NA MeJP NA NA +MJ063355 13,28-Epoxy-11-oleanen-3-ol, 3-Ketone C30H46O2 438.34978 NA MeJP NA NA +MJ063356 13,28-Epoxy-11-ursen-3-ol, 3-Ketone C30H46O2 438.34978 NA MeJP NA NA +MJ063357 14-Serratene-3,21-diol, Diketone C30H46O2 438.34978 NA MeJP NA NA +MJ063358 14-Taraxerene-3,16-diol, Diketone C30H46O2 438.34978 NA MeJP NA NA +MJ063359 15,17(21)-Hopadiene-3,6-diol, 6-Ketone C30H46O2 438.34978 NA MeJP NA NA +MJ063360 16,23-Epoxycycloart-24-en-3-ol, 3-Ketone C30H46O2 438.34978 NA MeJP NA NA +MJ063361 16,23-Epoxylanosta-8,24-dien-3-ol, 3-Ketone C30H46O2 438.34978 NA MeJP NA NA +MJ063362 19-Trachylobanoic acid; ent-form, Thujyl ester C30H46O2 438.34978 NA MeJP NA NA +MJ063363 2,4(23)-Friedeladien-29-oic acid C30H46O2 438.34978 NA MeJP NA NA +MJ063364 20(29)-Lupene-1,3-diol, Diketone C30H46O2 438.34978 NA MeJP NA NA +MJ063365 20(29)-Lupene-3,24-diol, 24-Carboxylic acid, 24?3 lactone C30H46O2 438.34978 NA MeJP NA NA +MJ063366 20(29)-Lupene-3,28-diol, 28-O-Aldehyde, 3-O-ketone C30H46O2 438.34978 NA MeJP NA NA +MJ063367 20(30)-Lupene-3,29-diol, 3-Ketone, 29-aldehyde C30H46O2 438.34978 NA MeJP NA NA +MJ063368 20(30)-Taraxastene-3,16-diol, 3,16-Diketone C30H46O2 438.34978 NA MeJP NA NA +MJ063369 21,23-Epoxycycloart-24-en-3-ol, 3-Ketone C30H46O2 438.34978 NA MeJP NA NA +MJ063370 21,23-Epoxytirucalla-7,24-dien-3-ol, 3-Ketone C30H46O2 438.34978 NA MeJP NA NA +MJ063371 21-Hopene-3,20-dione C30H46O2 438.34978 NA MeJP NA NA +MJ063372 21-Hydroxy-20(29)-lupen-3-one; 21?-form, 21-Ketone C30H46O2 438.34978 NA MeJP NA NA +MJ063373 22,25-Epoxylanosta-7,9(11)-dien-3-one C30H46O2 438.34978 NA MeJP NA NA +MJ063374 25(9?8)-Abeo-3-oxo-4(23)-friedelen-24-al C30H46O2 438.34978 NA MeJP NA NA +MJ063375 3,22-Dihydroxy-13,15,17(20),24-isomalabaricatetraen-12-one, 22-Deoxy C30H46O2 438.34978 NA MeJP NA NA +MJ063376 3-Hydroxy-12,20-ursadien-11-one C30H46O2 438.34978 NA MeJP NA NA +MJ063377 3-Hydroxy-22(29)-hopen-24-oic acid, 24?3 Lactone C30H46O2 438.34978 NA MeJP NA NA +MJ063378 3-Oxo-19(21)-lupen-28-al C30H46O2 438.34978 NA MeJP NA NA +MJ063379 3-Oxo-20,24-dammaradien-26-al C30H46O2 438.34978 NA MeJP NA NA +MJ063380 3-Oxo-9(11)-lupen-28-al C30H46O2 438.34978 NA MeJP NA NA +MJ063381 3-Oxotirucalla-7,24-dien-21-al C30H46O2 438.34978 NA MeJP NA NA +MJ063382 5,7,9(11)-Multifloratriene-3,29-diol; 3?-form C30H46O2 438.34978 NA MeJP NA NA +MJ063383 7,14(27)-Onoceradiene-3,21-dione C30H46O2 438.34978 NA MeJP NA NA +MJ063384 9(11)-Fernene-3,12-diol, 3,12-Dione C30H46O2 438.34978 NA MeJP NA NA +MJ063385 Cycloart-20-ene-3,24-dione C30H46O2 438.34978 NA MeJP NA NA +MJ063386 Cycloart-24-ene-3,21-diol, 21-Aldehyde, 3-ketone C30H46O2 438.34978 NA MeJP NA NA +MJ063387 Cycloart-24-ene-3,23-diol, Diketone C30H46O2 438.34978 NA MeJP NA NA +MJ063388 Cycloart-24-ene-3,26-diol, 3-Ketone, 26-aldehyde C30H46O2 438.34978 NA MeJP NA NA +MJ063389 Glyptopetolide C30H46O2 438.34978 NA MeJP NA NA +MJ063390 Lanosta-7,9(11),24-triene-3,21-diol, 3-Ketone C30H46O2 438.34978 NA MeJP NA NA +MJ063391 Lanosta-7,9(11),24-triene-3,26-diol, 3-Ketone C30H46O2 438.34978 NA MeJP NA NA +MJ063392 Lanosta-8,24-diene-3,22-diol, Diketone C30H46O2 438.34978 NA MeJP NA NA +MJ063393 Mokupalide C30H46O2 438.34978 NA MeJP NA NA +MJ063394 Tirucalla-7,24-diene-3,23-diol, 3,23-Diketone C30H46O2 438.34978 NA MeJP NA NA +MJ063395 Amphiasterin B3 C27H50O4 438.37091 NA MeJP NA NA +MJ063396 24,24,26,26-Tetramethylcholesta-5,25(27)-dien-3-ol, 22,23-Didehydro (E-) C31H50O 438.386166 NA MeJP NA NA +MJ063397 24-Isopropenyl-25-methylcholesta-5,22-dien-3-ol C31H50O 438.386166 NA MeJP NA NA +MJ063398 24-Isopropenyl-4-methylcholesta-7,22-dien-3-ol C31H50O 438.386166 NA MeJP NA NA +MJ063399 24-Methylcycloart-25-en-3-ol, 3-Ketone C31H50O 438.386166 NA MeJP NA NA +MJ063400 24-Methylcycloarta-20(22),25-dien-3-ol C31H50O 438.386166 NA MeJP NA NA +MJ063401 24-Methylenecycloartan-3-ol, 3-Ketone C31H50O 438.386166 NA MeJP NA NA +MJ063402 24-Methylenelanost-8-en-3-ol, 3-Ketone C31H50O 438.386166 NA MeJP NA NA +MJ063403 24-Methylenelanosta-7,9(11)-dien-3-ol C31H50O 438.386166 NA MeJP NA NA +MJ063404 24-Methyllanosta-20,25-dien-3-one C31H50O 438.386166 NA MeJP NA NA +MJ063405 24-Methyllanosta-9(11),25-dien-3-one C31H50O 438.386166 NA MeJP NA NA +MJ063406 Coffeasterene C31H50O 438.386166 NA MeJP NA NA +MJ063407 Neocyclonervilasterol C31H50O 438.386166 NA MeJP NA NA +MJ063408 11-Oxooctacosanoic acid C28H54O3 438.407295 NA MeJP NA NA +MJ063409 14-Oxooctacosanoic acid C28H54O3 438.407295 NA MeJP NA NA +MJ063410 27-Oxooctacosanoic acid C28H54O3 438.407295 NA MeJP NA NA +MJ063411 9-Oxooctacosanoic acid C28H54O3 438.407295 NA MeJP NA NA +MJ063412 Braunicene C32H54 438.422551 NA MeJP NA NA +MJ063413 C32 Botryococcene C32H54 438.422551 NA MeJP NA NA +MJ063414 Isobraunicene C32H54 438.422551 NA MeJP NA NA +MJ063415 Budmunchiamine A; N9-De-Me C26H54N4O 438.429762 NA MeJP NA NA +MJ063416 14-Hydroxy-15-nonacosanone C29H58O2 438.443681 NA MeJP NA NA +MJ063417 15-Hydroxy-14-nonacosanone C29H58O2 438.443681 NA MeJP NA NA +MJ063418 16-Hydroxy-14-nonacosanone C29H58O2 438.443681 NA MeJP NA NA +MJ063419 2,14,20-Trimethylhexacosanoic acid C29H58O2 438.443681 NA MeJP NA NA +MJ063420 2,4,6-Trimethylhexacosanoic acid C29H58O2 438.443681 NA MeJP NA NA +MJ063421 26-Methyloctacosanoic acid C29H58O2 438.443681 NA MeJP NA NA +MJ063422 27-Methyloctacosanoic acid C29H58O2 438.443681 NA MeJP NA NA +MJ063423 29-Hydroxy-3-nonacosanone C29H58O2 438.443681 NA MeJP NA NA +MJ063424 Nonacosanoic acid C29H58O2 438.443681 NA MeJP NA NA +HMDB02230 Nonacosanoic acid C29H58O2 438.443695 NA HMDB2010 NA NA +HMDB02230 Nonacosanoic acid C29H58O2 438.4437 http://www.hmdb.ca/metabolites/HMDB02230 HMDB NA NA +HMDB02230 Nonacosanoic acid C29H58O2 438.4437 HMDB02230 PFEM_hmdb_metabocards_official NA NA +MJ063425 1-Methoxy-2,14-dimethylheptacosane C30H62O 438.480066 NA MeJP NA NA +MJ063426 1-Methoxy-2,16-dimethylheptacosane C30H62O 438.480066 NA MeJP NA NA +MJ063427 1-Methoxy-2,24-dimethylheptacosane C30H62O 438.480066 NA MeJP NA NA +MJ063428 1-Methoxy-26-methyloctacosane C30H62O 438.480066 NA MeJP NA NA +MJ063429 1-Triacontanol C30H62O 438.480066 NA MeJP NA NA +MJ063430 10-Triacontanol C30H62O 438.480066 NA MeJP NA NA +MJ063431 11-Triacontanol C30H62O 438.480066 NA MeJP NA NA +MJ063432 2-Triacontanol C30H62O 438.480066 NA MeJP NA NA +MJ063433 27-Methyl-1-nonacosanol C30H62O 438.480066 NA MeJP NA NA +MJ063434 3-Methyl-1-nonacosanol C30H62O 438.480066 NA MeJP NA NA +C08392 Triacontan-1-ol C30H62O 438.4801 NA KEGG NA NA +MJ063435 Polythiazide C11H13ClF3N3O4S3 438.97088 NA MeJP NA NA +C07766 Polythiazide C11H13ClF3N3O4S3 438.9709 NA KEGG NA NA +MJ063436 3-(Methylthio)propyl glucosinolate; S,S-Dioxide C11H21NO11S3 439.027672 NA MeJP NA NA +C08405 Glucocheirolin C11H21NO11S3 439.0277 NA KEGG NA NA +MJ063437 2-Hydroxy-2-phenylethyl glucosinolate C15H21NO10S2 439.060687 NA MeJP NA NA +MJ063438 3-Hydroxybenzyl glucosinolate; Me ether C15H21NO10S2 439.060687 NA MeJP NA NA +MJ063439 4-Hydroxybenzyl glucosinolate; 4-Me ether C15H21NO10S2 439.060687 NA MeJP NA NA +C17273 Glucoaubrietin C15H21NO10S2 439.0607 NA KEGG NA NA +C17274 Glucobarbarin C15H21NO10S2 439.0607 NA KEGG NA NA +MJ063440 Althiomycin C16H17N5O6S2 439.062024 NA MeJP NA NA +MJ063441 Fibrostatins; Fibrostatin F C19H21NO9S 439.093701 NA MeJP NA NA +PJ001471 SCCQ C14H25N5O7S2 439.1196 NA PeJP NA NA +MJ063442 2,10,13-Trihydroxydibenzo[a,g]quinolizinium(1+); 10-O-Glucopyranoside C23H22NO8(+) 439.126716 NA MeJP NA NA +MJ063443 Aureonuclemycin; Me ester C17H21N5O9 439.133927 NA MeJP NA NA +PJ001472 GSSSC C14H25N5O9S 439.1373 NA PeJP NA NA +MJ063444 Galocitabine C19H22FN3O8 439.139092 NA MeJP NA NA +MJ063445 Stephania Base A C21H26ClNO7 439.139779 NA MeJP NA NA +PJ001473 GCNF C18H25N5O6S 439.1526 NA PeJP NA NA +MJ063446 2,3,9,10,11,12-Hexahydro-10-hydroxy-10-(hydroxymethyl)-9-methyl-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-l][1,6]benzodiazocin-1-one C26H21N3O4 439.153206 NA MeJP NA NA +PJ001474 SCCK C15H29N5O6S2 439.1559 NA PeJP NA NA +PJ001475 EEY C19H25N3O9 439.1591 NA PeJP NA NA +MJ063447 Bulleyanaline C24H25NO7 439.163102 NA MeJP NA NA +MJ063448 Estramustine C23H31Cl2NO3 439.168099 NA MeJP NA NA +C11228 Estramustine C23H31Cl2NO3 439.1681 NA KEGG NA NA +PJ001476 GSNY C18H25N5O8 439.1703 NA PeJP NA NA +MJ063449 5-[[[4'-[Imino[(methoxycarbonyl)amino]methyl][1,1'-biphenyl]-4-yl]oxy]methyl]-2-oxo-3-pyrrolidineacetic acid, Me ester C23H25N3O6 439.174335 NA MeJP NA NA +7910 synthetic peptide FHH 439.184 antioxidative Inhouse_peptide NA peptide +7912 synthetic peptide HFH 439.184 antioxidative Inhouse_peptide NA peptide +7915 synthetic peptide HHF 439.184 antioxidative Inhouse_peptide NA peptide +PJ001477 HHF C21H25N7O4 439.1968 NA PeJP NA NA +MJ063450 2,3,4,6,7-Pentamethoxyphenanthroindolizidine; 14-Hydroxy C25H29NO6 439.199487 NA MeJP NA NA +MJ063451 Gerambullin; 5',12-Dihydroxy, 2',3'-dihydro C22H33NO6S 439.202858 NA MeJP NA NA +MJ063452 Gerambullin; 6',7'-Dihydroxy, 6',7'-dihydro C22H33NO6S 439.202858 NA MeJP NA NA +8283 antioxidative peptide NHAV 439.2059 NA ;SYN:(+/-)-2-Aminoadipate; (+/-)-2-Aminoadipic acid; 2-Aminoadipate; 2-Aminoadipic acid; Aminoadipate; DL-2-Aminoadipate; DL-2-Aminoadipic acid; DL-2-Aminohexanedioate; DL-2-Aminohexanedioic acid; DL-a-Aminoadipate; DL-a-Aminoadipic acid; a-Aminoadipate; a-Aminoadipic acid; alpha-Amino-adipic acid; DL-alpha-Aminoadipate; DL-alpha-Aminoadipic acid; alpha-Aminoadipate; alpha-Aminoadipic acid; L-2-aminoadipate; L-alpha-Aminoadipate; L-alpha-Aminoadipic acid; L-2-Aminoadipic acid; L-2-Aminohexanedioate; L-2-Aminohexanedioic acidH2Blood; Urine Inhouse_peptide NA peptide +MJ063453 Gymnastatin D C23H34ClNO5 439.21255 NA MeJP NA NA +MJ063454 Gymnastatin E C23H34ClNO5 439.21255 NA MeJP NA NA +MJ063455 Pivmecillinam C21H33N3O5S 439.214091 NA MeJP NA NA +8064 synthetic peptide RHQ 439.217 ACE inhibitor Inhouse_peptide NA peptide +PJ001478 GVQH C18H29N7O6 439.218 NA PeJP NA NA +C10357 Parsonsine C22H33NO8 439.2206 NA KEGG NA NA +MJ063456 Echimidine; 3'-Ac C22H33NO8 439.220617 NA MeJP NA NA +MJ063457 Heliosupine; 3'-Ac C22H33NO8 439.220617 NA MeJP NA NA +MJ063458 Parsonsianidine; 14-Deoxy C22H33NO8 439.220617 NA MeJP NA NA +MJ063459 Parsonsine C22H33NO8 439.220617 NA MeJP NA NA +MJ063460 2-Amino-3-hydroxy-2-(hydroxymethyl)-12-oxooctadecanoic acid; 3-O-Sulfate C19H37NO8S 439.223987 NA MeJP NA NA +PJ001479 QHR C17H29N9O5 439.2292 NA PeJP NA NA +MJ063461 Oxaprazine C25H33N3O2S 439.229348 NA MeJP NA NA +EUR479 Leukotriene E4 F1 F1 439.235525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR479 Leukotriene E4 F1 NA 439.235525 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR479 Leukotriene E4 F1 F1 439.235525 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR479 Leukotriene E4 F1 NA 439.235525 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR479 Leukotriene E4 F1 F1 439.235525 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR479 Leukotriene E4 F1 NA 439.235525 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR479 Leukotriene E4 F1 F1 439.235525 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR479 Leukotriene E4 F1 F1 439.235525 standards wishlist analysés sur QTOF HMDB NA NA +EUR479 Leukotriene E4 F1 F1 439.235525 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR479 Leukotriene E4 F1 NA 439.235525 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR479 Leukotriene E4 F1 F1 439.235525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR479 Leukotriene E4 F1 F1 439.235525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ063462 Salicylihalamide A C26H33NO5 439.235873 NA MeJP NA NA +C12334 Militarinone B C26H33NO5 439.2359 NA KEGG NA NA +MJ063463 Revenast C27H29N5O 439.23721 NA MeJP NA NA +EUR153 LeukotrieneE4(LTE4) C23H37NO5S 439.2392 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR153 LeukotrieneE4(LTE4) C23H37NO5S 439.2392 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR153 LeukotrieneE4(LTE4) C23H37NO5S 439.2392 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR153 LeukotrieneE4(LTE4) C23H37NO5S 439.2392 Wishlist Inhousejuil11 NA NA +C05952 Leukotriene E4 C23H37NO5S 439.2392 NA KEGG NA NA +HMDB02200 Leukotriene E4 C23H37NO5S 439.23923 http://www.hmdb.ca/metabolites/HMDB02200 PFEM_hmdb_metabocards_urine NA urine +HMDB02200 Leukotriene E4 C23H37NO5S 439.23923 http://www.hmdb.ca/metabolites/HMDB02200 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02200 Leukotriene E4 C23H37NO5S 439.23923 http://www.hmdb.ca/metabolites/HMDB02200 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02200 Leukotriene E4 C23H37NO5S 439.23923 http://www.hmdb.ca/metabolites/HMDB02200 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02200 Leukotriene E4 C23H37NO5S 439.23923 http://www.hmdb.ca/metabolites/HMDB02200 HMDB NA NA +HMDB02200 Leukotriene E4 C23H37NO5S 439.23923 http://www.hmdb.ca/metabolites/HMDB02200 PFEM_hmdb_metabocards_blood NA blood +HMDB02200 Leukotriene E4 C23H37NO5S 439.23923 HMDB02200 PFEM_hmdb_metabocards_official NA NA +MJ063464 Leukotriene E4 C23H37NO5S 439.239243 NA MeJP NA NA +MetaCyc03563 (7E,9E,11Z,14Z)-(5S,6R)-6-(cystein-S-yl)-5-hydroxyicosa-7,9,11, 14-tetraenoate [(7E,9E,11Z,14Z)-(5S,6R)-6-(cystein-S-yl)-5- hydroxyeicosa-7,9,11,14-tetraenoate;6-(2-amino-2-carboxy-ethyl)sulfanyl-5-hydroxy-icosa-7,9,11,14- tetraenoic acid;] C23H37N1O5S1 439.239244 NA metacyc NA NA +EUR153 LeukotrieneE4(LTE4) C23H37NO5S 439.239246 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR153 LeukotrieneE4(LTE4) C23H37NO5S 439.239246 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR153 LeukotrieneE4(LTE4) C23H37NO5S 439.239246 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR153 LeukotrieneE4(LTE4) C23H37NO5S 439.239246 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR153 LeukotrieneE4(LTE4) C23H37NO5S 439.239246 Wishlist HMDB NA NA +EUR153 LeukotrieneE4(LTE4) C23H37NO5S 439.239246 Wishlist Inhouse_PFEM NA NA +EUR153 LeukotrieneE4(LTE4) C23H37NO5S 439.239246 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR153 LeukotrieneE4(LTE4) C23H37NO5S 439.239246 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB02200 Leukotriene E4 C23H37NO5S 439.239258 NA HMDB2010 NA NA +PJ001480 PPVQ C20H33N5O6 439.2431 NA PeJP NA NA +MJ063465 Alkaloid LBY C25H33N3O4 439.247106 NA MeJP NA NA +MJ063466 Numismine C25H33N3O4 439.247106 NA MeJP NA NA +MJ063467 Deoxymalyngamide C C24H38ClNO4 439.248936 NA MeJP NA NA +MJ063468 Malyngamide F C24H38ClNO4 439.248936 NA MeJP NA NA +8060 synthetic peptide RHK 439.253 antioxidative Inhouse_peptide NA peptide +PJ001481 APPR C19H33N7O5 439.2543 NA PeJP NA NA +MJ063469 Acoseptrine C23H37NO7 439.257002 NA MeJP NA NA +MJ063470 Delcosine; O16-De-Me C23H37NO7 439.257002 NA MeJP NA NA +MJ063471 Delcosine; O6-De-Me C23H37NO7 439.257002 NA MeJP NA NA +MJ063472 Delsoline; O14,O18-Di-de-Me C23H37NO7 439.257002 NA MeJP NA NA +MJ063473 Pubescenine; O18-De-Me, O14-de-Ac C23H37NO7 439.257002 NA MeJP NA NA +MJ063474 Ranaconine C23H37NO7 439.257002 NA MeJP NA NA +PJ001482 KHR C18H33N9O4 439.2656 NA PeJP NA NA +2818 PEP inhibitor KPPV 439.266 NA Inhouse_peptide NA peptide +EUR585 LysoPE(15:0) NA 439.269175 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR585 LysoPE(15:0) [M-H]+ 439.269175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR585 LysoPE(15:0) NA 439.269175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR585 LysoPE(15:0) [M-H]+ 439.269175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR585 LysoPE(15:0) NA 439.269175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR585 LysoPE(15:0) [M-H]+ 439.269175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR585 LysoPE(15:0) NA 439.269175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR585 LysoPE(15:0) NA 439.269175 identifiés dans sérum NuGO HMDB NA NA +EUR585 LysoPE(15:0) NA 439.269175 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR585 LysoPE(15:0) [M-H]+ 439.269175 identifies dans serum NuGO Inhousejuil11 NA NA +EUR585 LysoPE(15:0) NA 439.269175 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR585 LysoPE(15:0) NA 439.269175 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR819 Lyso PE 15:0 monoisotopic mass C20H42NO7P 439.269892 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR826 Lyso PE 16:0 [M-H-CH3]- C21H44NO7P 439.269892 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR819 Lyso PE 15:0 monoisotopic mass C20H42NO7P 439.269892 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR826 Lyso PE 16:0 [M-H-CH3]- C21H44NO7P 439.269892 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR819 Lyso PE 15:0 monoisotopic mass C20H42NO7P 439.269892 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR826 Lyso PE 16:0 [M-H-CH3]- C21H44NO7P 439.269892 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR819 Lyso PE 15:0 monoisotopic mass C20H42NO7P 439.269892 masses lipides attendues Inhousejuil11 NA NA +EUR826 Lyso PE 16:0 [M-H-CH3]- C21H44NO7P 439.269892 masses lipides attendues Inhousejuil11 NA NA +HMDB11472 LysoPE(0:0/15:0) C20H42NO7P 439.269897 NA HMDB2010 NA NA +HMDB11502 LysoPE(15:0/0:0) C20H42NO7P 439.269897 NA HMDB2010 NA NA +EUR586 LysoPE(15:0) NA 439.269925 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR586 LysoPE(15:0) [M-H]- 439.269925 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR586 LysoPE(15:0) NA 439.269925 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR586 LysoPE(15:0) [M-H]- 439.269925 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR586 LysoPE(15:0) NA 439.269925 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR586 LysoPE(15:0) [M-H]- 439.269925 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR586 LysoPE(15:0) NA 439.269925 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR586 LysoPE(15:0) NA 439.269925 identifiés dans sérum NuGO HMDB NA NA +EUR586 LysoPE(15:0) NA 439.269925 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR586 LysoPE(15:0) [M-H]- 439.269925 identifies dans serum NuGO Inhousejuil11 NA NA +EUR586 LysoPE(15:0) NA 439.269925 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR586 LysoPE(15:0) NA 439.269925 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +PJ001483 PPVK C21H37N5O5 439.2795 NA PeJP NA NA +MJ063475 Agelasidine C, 20-Hydroxy C23H41N3O3S 439.286862 NA MeJP NA NA +MJ063476 Proactinomycin; Proactinomycin C C24H41NO6 439.293388 NA MeJP NA NA +C12271 Arachidonoyl dopamine C28H41NO3 439.3086 NA KEGG NA NA +MJ063477 Arvanil C28H41NO3 439.308644 NA MeJP NA NA +MJ063478 Panclicins; Panclicin C C25H45NO5 439.329773 NA MeJP NA NA +MJ063479 Panclicins; Panclicin D C25H45NO5 439.329773 NA MeJP NA NA +MJ063480 4,4-Dimethyl-15-azasterol C30H49NO 439.381415 NA MeJP NA NA +MJ063481 Alkaloid LO3 C29H49N3 439.392648 NA MeJP NA NA +2572 vasopressin CYFQNCPRG~ 439.71095 MH2+ Inhouse_peptide NA peptide +3797 NA WWPKHK~ 439.736 MH2+ Inhouse_peptide NA peptide +C18113 1,2,3,4,6,7,8,9-Octachlorodibenzofuran C12Cl8O 439.7457 NA KEGG NA NA +C11128 2,4,5-Tribromo-1-(4-chlorobenzoyl)imidazole C10H4Br3ClN2O 439.7562 NA KEGG NA NA +C18145 trans-Nonachlor C10H5Cl9 439.7588 NA KEGG NA NA +MJ063482 1,4,8-Tribromo-3,7-dichloro-3,7-dimethyl-1,5-octadiene C10H13Br3Cl2 439.794443 NA MeJP NA NA +MJ063483 Poitediene C15H19Br2ClO3 439.938947 NA MeJP NA NA +MJ063484 Zenarestat C17H11BrClFN2O4 439.957475 NA MeJP NA NA +MJ063485 Psoromic acid; 2,7-Dichloro, Me ester C19H14Cl2O8 440.006572 NA MeJP NA NA +MJ063486 Ceftezole C13H12N8O4S3 440.014362 NA MeJP NA NA +FL5FECNSS007 Jaceidin 4'-O-sulfate C18H16O11S 440.04133 92446-23-6 knapsack NA NA +FL5FECNSS008 Veronicafolin 3-O-sulfate C18H16O11S 440.04133 74545-45-2 knapsack NA NA +FL5FECNSS009 Eupatin 3-O-sulfate C18H16O11S 440.04133 74545-34-9 knapsack NA NA +FL5FECNSS010 Quercetagetin 6,3',4'-trimethyl ether 3-O-sulfate C18H16O11S 440.04133 100363-98-2 knapsack NA NA +MJ063487 3,3',4',5,6,7-Hexahydroxyflavone; 3',4',6-Tri-Me ether, 3-O-sulfate C18H16O11S 440.041332 NA MeJP NA NA +MJ063488 3,3',4',5,6,7-Hexahydroxyflavone; 3',6,7-Tri-Me ether, 3-O-sulfate C18H16O11S 440.041332 NA MeJP NA NA +MJ063489 3,3',5-Trihydroxy-4',6,7-trimethoxyflavone; 3-O-Sulfate C18H16O11S 440.041332 NA MeJP NA NA +MJ063490 4',5,7-Trihydroxy-3,3',6-trimethoxyflavone; 4'-O-Sulfate C18H16O11S 440.041332 NA MeJP NA NA +C10951 N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-[p- C20H16ClF3N2O2S 440.0573 NA KEGG NA NA +FL631GNC0001 6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one C22H16O10 440.07434 126655-08-1 knapsack NA NA +FL63ACNC0006 (-)-Amurensisin;Amurensisin;2-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-4,8,9,10-tetrahydroxy-6H-Dibenzo[b,d]pyran-6-one C22H16O10 440.07434 280576-19-4 knapsack NA NA +MJ063491 6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy[2]benzopyrano[3,4-c][1]benzopyran-8(6H)-one, 5'-Hydroxy C22H16O10 440.074346 NA MeJP NA NA +MJ063492 Amurensisin C22H16O10 440.074346 NA MeJP NA NA +MJ063493 Artemicapin D C22H16O10 440.074346 NA MeJP NA NA +MJ063494 Cefsumide C17H20N4O6S2 440.082425 NA MeJP NA NA +MJ063495 1,3,5-Benzenetriol; O-(6-O-3,4,5-Trihydroxybenzoyl-?-D-glucopyranoside) C19H20O12 440.095476 NA MeJP NA NA +MJ063496 3-Hydroxy-2-methyl-4H-pyran-4-one; O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C19H20O12 440.095476 NA MeJP NA NA +PJ001484 SCCE C14H24N4O8S2 440.1036 NA PeJP NA NA +FL3F19GF0001 Pongamoside A C23H20O9 440.11073 713524-63-1 knapsack NA NA +MJ063497 Antibiotic DC 44A C23H20O9 440.110732 NA MeJP NA NA +MJ063498 Mitorubrin, 3'-Acetoxy C23H20O9 440.110732 NA MeJP NA NA +MJ063499 Podophyllotoxin; 7,7',8,8'-Tetradehydro, 6-methoxy C23H20O9 440.110732 NA MeJP NA NA +MJ063500 Sulfurmycin A; Aglycone C23H20O9 440.110732 NA MeJP NA NA +MJ063501 2-(Trifluoromethanesulfonyloxy)-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine C19H19F3N4O3S 440.112995 NA MeJP NA NA +C09105 Hallactone B C20H24O9S 440.1141 NA KEGG NA NA +MJ063502 3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether, 9'-O-sulfate C20H24O9S 440.114103 NA MeJP NA NA +MJ063503 Podolactone C; S-Oxide C20H24O9S 440.114103 NA MeJP NA NA +MJ063504 Kinamycin F; 4-O-(2-Methylpropanoyl) C22H20N2O8 440.121965 NA MeJP NA NA +PJ001485 GCMM C15H28N4O5S3 440.1222 NA PeJP NA NA +MJ063505 1,2,3,4-Tetrahydro-1,4,6,8-tetrahydroxyxanthone, 6-Me ether, 1-O-?-D-glucopyranoside C20H24O11 440.131861 NA MeJP NA NA +MJ063506 Ginkgolide C C20H24O11 440.131861 NA MeJP NA NA +MJ063507 Plumenoside C20H24O11 440.131861 NA MeJP NA NA +MJ063508 Poliothrysin C20H24O11 440.131861 NA MeJP NA NA +C07603 Ginkgolide C C20H24O11 440.1319 NA KEGG NA NA +PJ001486 GCDF C18H24N4O7S 440.1366 NA PeJP NA NA +PJ001487 STCM C15H28N4O7S2 440.14 NA PeJP NA NA +FL5FFCNI0007 3,5,8-Trimethoxy-3',4'-methylenedioxy-7-prenyloxyflavone;2-(1,3-Benzodioxol-5-yl)-3,5,8-trimethoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one C24H24O8 440.14711 114371-88-9 knapsack NA NA +FLIFHXNP0004 (+)-12a-Hydroxyerythynone C24H24O8 440.14711 128718-49-0 knapsack NA NA +MJ063509 1,4-Epoxy-8,10,13-trihydroxy-1,5,7(11)-germacratrien-12,6-olide, 13-(3-Formylphenyl ether), 8-Ac C24H24O8 440.147117 NA MeJP NA NA +MJ063510 1-O-Cinnamoylglucose; 6-O-E-Cinnamoyl C24H24O8 440.147117 NA MeJP NA NA +MJ063511 3',4',5,5',7-Pentahydroxy-6-prenylflavone; 3''-Hydroxy, ?1''-isomer(E-), 4',5'-methylene, 3',5,7-tri-Me ether C24H24O8 440.147117 NA MeJP NA NA +MJ063512 3,3',4',5,7,8-Hexahydroxyflavone; 7-O-(3-Methyl-2-butenyl), 3',4'-methylene, 3,5,8-Tri-Me ether C24H24O8 440.147117 NA MeJP NA NA +MJ063513 3,3',4,4',9,9'-Hexahydroxylign-7-ene, 3,4:3',4'-Bis(methylene) ether, 9,9'-di-Ac C24H24O8 440.147117 NA MeJP NA NA +MJ063514 9-O-Demethyl-6-O-methyl-8-prenylstemonal C24H24O8 440.147117 NA MeJP NA NA +MJ063515 Auranticin A C24H24O8 440.147117 NA MeJP NA NA +MJ063516 Butyrolactone II; 3'-(2,3-Epoxy-3-methylbutyl) C24H24O8 440.147117 NA MeJP NA NA +MJ063517 Tephrosin, 5-Methoxy C24H24O8 440.147117 NA MeJP NA NA +PJ001488 GSDY C18H24N4O9 440.1543 NA PeJP NA NA +MJ063518 Aminopterin C19H20N8O5 440.155665 NA MeJP NA NA +HMDB01833 Aminopterin C19H20N8O5 440.15567 http://www.hmdb.ca/metabolites/HMDB01833 HMDB NA NA +HMDB01833 Aminopterin C19H20N8O5 440.15567 HMDB01833 PFEM_hmdb_metabocards_official NA NA +HMDB01833 Aminopterin C19H20N8O5 440.15567 NA HMDB2010 NA NA +MJ063519 15-Bromo-9(11)-parguerene-2,7,16-triol, 2-Ac C22H33BrO4 440.156222 NA MeJP NA NA +MJ063520 Kopsinitarine A; 14,15-Dihydro, 15?-hydroxy C23H24N2O7 440.158351 NA MeJP NA NA +MJ063521 Oximidine II; 12?,13?-Epoxide C23H24N2O7 440.158351 NA MeJP NA NA +MJ063522 Candesartan C24H20N6O3 440.159688 NA MeJP NA NA +C07468 Candesartan C24H20N6O3 440.1597 NA KEGG NA NA +MJ063523 6-Chloro-2,8,9,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 12-Ketone, 2-Ac C22H29ClO7 440.16018 NA MeJP NA NA +MJ063524 6-(1-Hydroxyethyl)-4-methyl-7-oxo-3-[(5-oxo-3-pyrrolidinyl)thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; Pivaloyloxymethyl ester C20H28N2O7S 440.161721 NA MeJP NA NA +MJ063525 Isoplagiochin A; 7',8'-Dihydro, 10-hydroxy C28H24O5 440.162373 NA MeJP NA NA +MJ063526 Marchantin C; 12-Hydroxy C28H24O5 440.162373 NA MeJP NA NA +MJ063527 Marchantin C; 2'-Hydroxy C28H24O5 440.162373 NA MeJP NA NA +MJ063528 Neomarchantin B C28H24O5 440.162373 NA MeJP NA NA +MJ063529 Perrottetin E; 3'-Hydroxy, 7',8'-didehydro C28H24O5 440.162373 NA MeJP NA NA +C10270 Marchantin A C28H24O5 440.1624 NA KEGG NA NA +MJ063530 Biopterin, 2'-O-(2-Acetamido-2-deoxy-?-D-glucopyranoside) C17H24N6O8 440.165561 NA MeJP NA NA +MJ063531 3,4,7,8,15-Scirpenepentol, 4,8,15-Tri-Ac C21H28O10 440.168247 NA MeJP NA NA +MJ063532 3-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olid-14-oic acid, ?-D-Glucopyranosyl ester C21H28O10 440.168247 NA MeJP NA NA +MJ063533 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 15-O-?-D-Glucopyranoside C21H28O10 440.168247 NA MeJP NA NA +MJ063534 8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether, 3'-O-?-D-glucopyranoside C21H28O10 440.168247 NA MeJP NA NA +MJ063535 Fagaropsine C21H28O10 440.168247 NA MeJP NA NA +MJ063536 Grandidentatin; 3'-Hydroxy C21H28O10 440.168247 NA MeJP NA NA +MJ063537 Peucedanol, 7-Me ether, 3'-O-?-D-glucopyranoside C21H28O10 440.168247 NA MeJP NA NA +MJ063538 Picrodendrin A C21H28O10 440.168247 NA MeJP NA NA +MJ063539 Picrodendrin G C21H28O10 440.168247 NA MeJP NA NA +MJ063540 Picrodendrin T C21H28O10 440.168247 NA MeJP NA NA +MJ063541 Picrodendrin V C21H28O10 440.168247 NA MeJP NA NA +PJ001489 QMY C19H28N4O6S 440.173 NA PeJP NA NA +PJ001490 GNNH C16H24N8O7 440.1768 NA PeJP NA NA +C07567 Sertindole C24H26ClFN4O 440.1779 NA KEGG NA NA +MJ063542 Sertindole C24H26ClFN4O 440.177917 NA MeJP NA NA +MJ063543 N-[4-[3-(2,4-Diamino-1H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoyl]glutamic acid C21H24N6O5 440.180817 NA MeJP NA NA +FL2FAANF0003 Lonchocarpol E C25H28O7 440.1835 111567-20-5 knapsack NA NA +FL2FAANP0019 2'',3''-Dihydroxylupinifolin;5,4'-Dihydroxy-8-(2,3-dihydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone C25H28O7 440.1835 466689-46-3 knapsack NA NA +FL2FACNF0003 Dorsmanin F;(+)-7,8-[2''-(1-Hydroxy-1-methylethyl)-dihydrofurano]-6-prenyl-5,3',4'-trihydroxyflavanone C25H28O7 440.1835 234766-37-1 knapsack NA NA +FL2FACNF0004 Dorsmanin G;(-)-6,7-[2''-(1-Hydroxy-1-methylethyl)dihydrofurano]-8-prenyl-5,3',4'-trihydroxyflavanone C25H28O7 440.1835 234766-40-6 knapsack NA NA +FL2FACNF0005 Epidorsmanin F C25H28O7 440.1835 329703-69-7 knapsack NA NA +FL2FACNF0006 Epidorsmanin G C25H28O7 440.1835 329703-72-2 knapsack NA NA +FL2FACNI0017 Dorsmanin H;5,7,3',4'-Tetrahydroxy-6-prenyl-8-(2-hydroxy-3-methylbut-3-enyl)flavanone C25H28O7 440.1835 234766-44-0 knapsack NA NA +FL2FACNP0013 Abyssinoflavanone V;5,7,3'-Trihydroxy-2'-prenyl-(5''-hydroxy-6'',6''-dimethyldihydropyrano[2'',3'':4',5'])flavanone C25H28O7 440.1835 201535-06-0 knapsack NA NA +FL2FACNP0014 Abyssinoflavanone VI;5,7-Dihydroxy-(5''-hydroxy-6'',6''-dimethylpyrano[2'',3'':7,6])-6''',6'''-dimethyldihydropyrano[2''',3''':4',3']flavanone C25H28O7 440.1835 201535-05-9 knapsack NA NA +FL2FALNI0012 Sophoraflavanone D C25H28O7 440.1835 121927-93-3 knapsack NA NA +FL2FALNI0013 Sophoraflavanone E C25H28O7 440.1835 121927-94-4 knapsack NA NA +FL2FALNI0014 Kenusanone B C25H28O7 440.1835 140447-87-6 knapsack NA NA +FL2FALNI0021 Exiguaflavanone C C25H28O7 440.1835 149725-16-6 knapsack NA NA +FL2FALNI0024 Exiguaflavanone G C25H28O7 440.1835 156281-17-3 knapsack NA NA +FL4DACNI0003 Diplacol C25H28O7 440.1835 76556-05-3 knapsack NA NA +FL4DALNI0001 Kushenol L C25H28O7 440.1835 101236-50-4 knapsack NA NA +FL4DALNI0008 Kushenol X;(2R,3R)-3,5,7,2',4'-Pentahydroxy-8-lavandulylflavanone C25H28O7 440.1835 254886-77-6 knapsack NA NA +MJ063544 1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1'-O-[3-(Hydroxymethyl)-7-methyloctanoyl] C25H28O7 440.183503 NA MeJP NA NA +MJ063545 15,16-Epoxy-3,13(16),14-clerodatriene-18,19:20,12-diolide, 7?-Angeloyloxy C25H28O7 440.183503 NA MeJP NA NA +MJ063546 2',4',5,5',7-Pentahydroxy-6,8-diprenylflavanone C25H28O7 440.183503 NA MeJP NA NA +MJ063547 2',4',5,6',7-Pentahydroxy-6,8-diprenylflavanone C25H28O7 440.183503 NA MeJP NA NA +MJ063548 3',4',5,7-Tetrahydroxy-6,8-diprenylflavanone, ?3'''-Isomer, 2'''-hydroxy C25H28O7 440.183503 NA MeJP NA NA +MJ063549 3',4',5,7-Tetrahydroxy-6,8-diprenylflavanone, ?3''-Isomer, 2''-hydroxy C25H28O7 440.183503 NA MeJP NA NA +MJ063550 6-Geranyl-2',4',5,6',7-pentahydroxyflavanone C25H28O7 440.183503 NA MeJP NA NA +MJ063551 8-Geranyl-2',4',5,6',7-pentahydroxyflavanone C25H28O7 440.183503 NA MeJP NA NA +MJ063552 Abyssinoflavanone V C25H28O7 440.183503 NA MeJP NA NA +MJ063553 Arugosin C; ?3'-Isomer, 2'-hydroxy C25H28O7 440.183503 NA MeJP NA NA +MJ063554 Cedmilinol C25H28O7 440.183503 NA MeJP NA NA +MJ063555 Cneorin F C25H28O7 440.183503 NA MeJP NA NA +MJ063556 Cneorin K C25H28O7 440.183503 NA MeJP NA NA +MJ063557 Diplacol C25H28O7 440.183503 NA MeJP NA NA +MJ063558 Exiguaflavanone C C25H28O7 440.183503 NA MeJP NA NA +MJ063559 Exiguaflavanone G C25H28O7 440.183503 NA MeJP NA NA +MJ063560 Kushenol I; O-De-Me C25H28O7 440.183503 NA MeJP NA NA +MJ063561 Kushenol L C25H28O7 440.183503 NA MeJP NA NA +MJ063562 Lonchocarpol C; 2''-Epimer, 3'-hydroxy C25H28O7 440.183503 NA MeJP NA NA +MJ063563 Lonchocarpol C; 3'-Hydroxy C25H28O7 440.183503 NA MeJP NA NA +MJ063564 Lonchocarpol D; 2''-Epimer, 3'-hydroxy C25H28O7 440.183503 NA MeJP NA NA +MJ063565 Lonchocarpol D; 3'-Hydroxy C25H28O7 440.183503 NA MeJP NA NA +MJ063566 Lonchocarpol E C25H28O7 440.183503 NA MeJP NA NA +MJ063567 Piperitol, O-(2-Hydroxy-3-methyl-3-butenyl) C25H28O7 440.183503 NA MeJP NA NA +MJ063568 Shahenxanthone C25H28O7 440.183503 NA MeJP NA NA +MJ063569 Tajixanthone hydrate C25H28O7 440.183503 NA MeJP NA NA +MJ063570 Tricoccin S17 C25H28O7 440.183503 NA MeJP NA NA +MJ063571 Tricoccin S18 C25H28O7 440.183503 NA MeJP NA NA +MJ063572 Tricoccin S4; ?8,30-Isomer, 9?-hydroxy C25H28O7 440.183503 NA MeJP NA NA +MJ063573 Vernodesmine C25H28O7 440.183503 NA MeJP NA NA +PJ001491 CRY C18H28N6O5S 440.1842 NA PeJP NA NA +MJ063574 Antibiotic K 252c; N13-(3-Amino-2,3,6-trideoxy-?-L-ribo-hexopyranosyl) C26H24N4O3 440.18484 NA MeJP NA NA +MJ063575 Picumast C25H29ClN2O3 440.18667 NA MeJP NA NA +PJ001492 GTTY C19H28N4O8 440.1907 NA PeJP NA NA +MJ063576 Blasticidin S; 5-Fluoro C17H25FN8O5 440.193194 NA MeJP NA NA +MJ063577 Adirubine; 19E,20-Didehydro, O-Ac C24H28N2O6 440.194736 NA MeJP NA NA +MJ063578 Chanofruticosine methyl ester; 12-Methoxy C24H28N2O6 440.194736 NA MeJP NA NA +MJ063579 Di-4-coumaroylputrescine; 3,3'-Dimethoxy C24H28N2O6 440.194736 NA MeJP NA NA +MJ063580 Henningsoline; O17-Ac C24H28N2O6 440.194736 NA MeJP NA NA +MJ063581 Isocaboxine A; 7-Epimer, N-Ac C24H28N2O6 440.194736 NA MeJP NA NA +MJ063582 Kopsaporine; 12-Methoxy, 17-deoxy C24H28N2O6 440.194736 NA MeJP NA NA +MJ063583 Kopsidasine C24H28N2O6 440.194736 NA MeJP NA NA +MJ063584 Kopsidasinine C24H28N2O6 440.194736 NA MeJP NA NA +MJ063585 Kopsijasmine, 12-Methoxy, N4-oxide C24H28N2O6 440.194736 NA MeJP NA NA +MJ063586 Novacine; 15-Hydroxy C24H28N2O6 440.194736 NA MeJP NA NA +MJ063587 Novacine; 19,20?-Epoxide C24H28N2O6 440.194736 NA MeJP NA NA +MJ063588 Vomicine; 11-Methoxy, 19?,20?-epoxide, Me ether C24H28N2O6 440.194736 NA MeJP NA NA +MJ063589 Punaglandin 7; 17,18-Dihydro C23H33ClO6 440.196566 NA MeJP NA NA +7650 ACE inhibitor from red algae MKY 440.1974 antioxidative Inhouse_peptide NA peptide +MJ063590 Arundin C29H28O4 440.198759 NA MeJP NA NA +MJ063591 Perrottetin E; 11'-Me ether C29H28O4 440.198759 NA MeJP NA NA +MJ063592 Perrottetin E; 11-Me ether C29H28O4 440.198759 NA MeJP NA NA +8056 synthetic peptide RHE 440.201 antioxidative Inhouse_peptide NA peptide +PJ001493 GVEH C18H28N6O7 440.202 NA PeJP NA NA +C11899 10-Deacetyl-2-debenzoylbaccatin III C22H32O9 440.2046 NA KEGG NA NA +MJ063593 1,10-Epoxy-2,5,6,9-tetrahydroxy-11(13)-germacren-12,8-olide, 6-(2-Methylbutanoyl), 5-Ac C22H32O9 440.204632 NA MeJP NA NA +MJ063594 3,4-Epoxy-2,5,8,9-tetrahydroxy-11(13)-germacren-12,6-olide, 8-(2-Methylbutanoyl), 9-Ac C22H32O9 440.204632 NA MeJP NA NA +MJ063595 Toxin HT2; 3'-Hydroxy C22H32O9 440.204632 NA MeJP NA NA +MetaCyc03564 10-deacetyl-2-debenzoylbaccatin III [] C22H32O9 440.204633 NA metacyc NA NA +PJ001494 QFF C23H28N4O5 440.206 NA PeJP NA NA +MJ063596 Ceronapril C21H33N2O6P 440.207623 NA MeJP NA NA +PJ001495 KMY C20H32N4O5S 440.2094 NA PeJP NA NA +MJ063597 Blasticidin H C17H28N8O6 440.21318 NA MeJP NA NA +PJ001496 EHR C17H28N8O6 440.2132 NA PeJP NA NA +PJ001497 VHW C22H28N6O4 440.2172 NA PeJP NA NA +MJ063598 N2-[(1-Hydroxy-2-naphthalenyl)carbonyl]arginylprolinamide C22H28N6O4 440.217203 NA MeJP NA NA +FL1DAENI0001 3,2',4',6'-Tetrahydroxy-4-methoxy-3',5-diprenyldihydrochalcone C26H32O6 440.21988 171828-56-1 knapsack NA NA +FL1DBCNI0001 3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone C26H32O6 440.21988 122585-63-1 knapsack NA NA +FL2FABNI0006 5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone C26H32O6 440.21988 151922-21-3 knapsack NA NA +MJ063599 1,2-Bis[2-(2,4,5-trimethoxyphenyl)ethenyl]cyclobutane C26H32O6 440.219888 NA MeJP NA NA +MJ063600 1,3,8,10-Tetrahydroxy-6-methyl-9(10H)-anthracenone, 3-Me ether, 10-decanoyl C26H32O6 440.219888 NA MeJP NA NA +MJ063601 1-(3,4-Dihydro-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-[3-hydroxy-4-methoxy-5-(3-methyl-2-butenyl)phenyl]-1-propanone C26H32O6 440.219888 NA MeJP NA NA +MJ063602 2',3,4,4',6'-Pentahydroxy-3',5-diprenyldihydrochalcone; 4-Me ether C26H32O6 440.219888 NA MeJP NA NA +MJ063603 2',4',5,7-Tetrahydroxy-3,6-diprenylflavone; 2'',2''',3'',3'''-Tetrahydro, 7-Me ether C26H32O6 440.219888 NA MeJP NA NA +MJ063604 3',4',5,7-Tetrahydroxyflavanone, 4'-O-(3,6-Dimethyl-2-heptenyl), 3',7-di-Me ether C26H32O6 440.219888 NA MeJP NA NA +MJ063605 3',4'-Dihydro-6,6',7,7'-tetramethoxy-2,2,2',2'-tetramethyl-3,4'-bi-2H-1-benzopyran C26H32O6 440.219888 NA MeJP NA NA +MJ063606 3-(3,4-Dihydroxyphenyl)-1-[3-(3,7-dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl]-1-propanone; 6'-Me ether C26H32O6 440.219888 NA MeJP NA NA +MJ063607 4',5,7-Trihydroxy-3',8-diprenylflavanone, 2''',3'''-Dihydro, 3'''-hydroxy, 4'-Me ether C26H32O6 440.219888 NA MeJP NA NA +MJ063608 7-O-(3,14-Dihydroxy-8(12)-drimen-11-yl)umbelliferone, 14'-O-Ac C26H32O6 440.219888 NA MeJP NA NA +MJ063609 7-O-(3-Hydroxy-7-drimen-11-yl)isofraxidin, 3'-Ketone C26H32O6 440.219888 NA MeJP NA NA +MJ063610 7-O-(3-Hydroxy-8(12)-drimen-11-yl)isofraxidin, 3'-Ketone C26H32O6 440.219888 NA MeJP NA NA +MJ063611 Cauferin; 6'-O-Ac C26H32O6 440.219888 NA MeJP NA NA +MJ063612 Cedrelone; 11?-Hydroxy, 1,2-dihydro C26H32O6 440.219888 NA MeJP NA NA +MJ063613 Gedunin; O-De-Ac C26H32O6 440.219888 NA MeJP NA NA +MJ063614 Mogoltin; 3'-O-Ac C26H32O6 440.219888 NA MeJP NA NA +MJ063615 Nimbinene; O-De-Ac C26H32O6 440.219888 NA MeJP NA NA +MJ063616 Surenin; Di-O-de-Ac, 7-ketone C26H32O6 440.219888 NA MeJP NA NA +MJ063617 Surenolactone C26H32O6 440.219888 NA MeJP NA NA +MJ063618 Toonafolin C26H32O6 440.219888 NA MeJP NA NA +MJ063619 Umbelliprenin; 4'-Acetoxy, 9'-hydroxy C26H32O6 440.219888 NA MeJP NA NA +MJ063620 Cyclo(tryptophyltryptophyl), N1'-(1,1-Dimethyl-2-propenyl) C27H28N4O2 440.221226 NA MeJP NA NA +MJ063621 Fellutanine B C27H28N4O2 440.221226 NA MeJP NA NA +MJ063622 Tiospirone C24H32N4O2S 440.224596 NA MeJP NA NA +MJ063623 1,3-Octanediol, 1-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C19H36O11 440.225761 NA MeJP NA NA +PJ001498 PPVE C20H32N4O7 440.2271 NA PeJP NA NA +MJ063624 Alalakine C25H32N2O5 440.231122 NA MeJP NA NA +MJ063625 Ifetroban C25H32N2O5 440.231122 NA MeJP NA NA +MJ063626 Obscurinervine; 14,15-Dihydro C25H32N2O5 440.231122 NA MeJP NA NA +MJ063627 Pyrifoline C25H32N2O5 440.231122 NA MeJP NA NA +MJ063628 Tirofiban C22H36N2O5S 440.234492 NA MeJP NA NA +C07965 Tirofiban C22H36N2O5S 440.2345 NA KEGG NA NA +PJ001499 ATLH C19H32N6O6 440.2384 NA PeJP NA NA +MJ063629 2,3-Epoxy-5,6,10,14,16-grayanotoxanepentol, 14-(2-Hydroxypropanoyl) C23H36O8 440.241018 NA MeJP NA NA +MJ063630 3,7-Dimethyl-1,6-octadien-3-ol, O-[2-O-Acetyl-6-O-tigloyl-?-D-glucopyranoside] C23H36O8 440.241018 NA MeJP NA NA +MJ063631 Cryptoporic acid A; 15-Hydroxy C23H36O8 440.241018 NA MeJP NA NA +MJ063632 Phenylalanyl-N-[1-(1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2-methyl-1-isoquinolinyl)ethyl]glycinamide C24H32N4O4 440.242355 NA MeJP NA NA +MJ063633 Spinanine A C24H32N4O4 440.242355 NA MeJP NA NA +MJ063634 Zizyphine G C24H32N4O4 440.242355 NA MeJP NA NA +PJ001500 KFF C24H32N4O4 440.2424 NA PeJP NA NA +MJ063635 3,9-Dihydroxy-7,13-labdadien-15-oic acid, 9-Benzoyl C27H36O5 440.256274 NA MeJP NA NA +MJ063636 6,16-Dihydroxy-18-aphidicolanoic acid, 6-Benzoyl C27H36O5 440.256274 NA MeJP NA NA +MJ063637 8(17),13-Labdadiene-6,15,18-triol, 18-Carboxylic acid, 6-benzoyl C27H36O5 440.256274 NA MeJP NA NA +MJ063638 8-Daucene-4,6,10-triol, 6-Benzoyl, 10-angeloyl C27H36O5 440.256274 NA MeJP NA NA +MJ063639 Arieianal C27H36O5 440.256274 NA MeJP NA NA +MJ063640 Asiaticusin A C27H36O5 440.256274 NA MeJP NA NA +MJ063641 Jaborosalactone Q C27H36O5 440.256274 NA MeJP NA NA +MJ063642 Jaspiferal A C27H36O5 440.256274 NA MeJP NA NA +MJ063643 Mediterraneol A C27H36O5 440.256274 NA MeJP NA NA +MJ063644 Mediterraneol C C27H36O5 440.256274 NA MeJP NA NA +MJ063645 Nostoc commune Meroterpenoid C27H36O5 440.256274 NA MeJP NA NA +MJ063646 Podosporin A C27H36O5 440.256274 NA MeJP NA NA +MJ063647 Spirost-4-ene-3,6,12-trione C27H36O5 440.256274 NA MeJP NA NA +MJ063648 Surangin A C27H36O5 440.256274 NA MeJP NA NA +MJ063649 Bisobrin C26H36N2O4 440.267507 NA MeJP NA NA +MJ063650 Salsamine C26H36N2O4 440.267507 NA MeJP NA NA +MJ063651 1,16-Bis-(3,5-dihydroxyphenyl)-8-hexadecene C28H40O4 440.292659 NA MeJP NA NA +MJ063652 1-(2-Hydroxy-5-methoxy-3-methylphenyl)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraene-5,12-diol, 12-Ketone C28H40O4 440.292659 NA MeJP NA NA +MJ063653 17,19,22,24-Tetrahydroxyturriane; 17,22-Di-Me ether C28H40O4 440.292659 NA MeJP NA NA +MJ063654 2,3,22-Trihydroxy-24,29-dinor-1,3,5(10)-friedelatrien-21-one; 22?-form C28H40O4 440.292659 NA MeJP NA NA +MJ063655 3,15-Dihydroxy-24,28-dinor-3,12-oleanadiene-2,16-dione; 15?-form C28H40O4 440.292659 NA MeJP NA NA +MJ063656 3-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,2,4-benzenetriol, 2-Ac C28H40O4 440.292659 NA MeJP NA NA +MJ063657 3-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,2,4-benzenetriol, 4-Ac C28H40O4 440.292659 NA MeJP NA NA +MJ063658 5'-Hydroxy-12'-oxohalidrol, 5'-Ketone C28H40O4 440.292659 NA MeJP NA NA +MJ063659 6-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,2,4-benzenetriol, 1-Ac C28H40O4 440.292659 NA MeJP NA NA +MJ063660 6-[(3,4-Dihydro-6-methoxy-2,8-dimethyl-2H-1-benzopyran-2-yl)methyl]-1,2,3,3a,7,7a-hexahydro-5-(2-hydroxy-2-methylpropyl)-3a,7a-dimethyl-4H-inden-4-one C28H40O4 440.292659 NA MeJP NA NA +MJ063661 9,14-Dihydroxyergosta-4,7,22-triene-3,6-dione C28H40O4 440.292659 NA MeJP NA NA +MJ063662 Cystalgerone; O1'-De-Me C28H40O4 440.292659 NA MeJP NA NA +MJ063663 Furanoeremophilane-3,9-diol, 3-(5-Methyl-2E,4E,6E-dodecatrienoyl) C28H40O4 440.292659 NA MeJP NA NA +MJ063664 Grevirobstol B C28H40O4 440.292659 NA MeJP NA NA +MJ063665 Pentagestrone; Ac C28H40O4 440.292659 NA MeJP NA NA +MJ063666 Sargaquinone; 8',9'-Dihydroxy, 5-methyl C28H40O4 440.292659 NA MeJP NA NA +MJ063667 Siraitic acid D; 20-Deoxy C28H40O4 440.292659 NA MeJP NA NA +PJ001501 PVLL C22H40N4O5 440.2999 NA PeJP NA NA +MJ063668 Leupeptin Pr-LL C21H40N6O4 440.311103 NA MeJP NA NA +MJ063669 14-Labdene-8,13-diol, 13-O-?-D-Xylopyranoside C25H44O6 440.313789 NA MeJP NA NA +MJ063670 8,13-Epoxy-14,15,16,19-labdanetetrol, 19-(3-Methylbutanoyl) C25H44O6 440.313789 NA MeJP NA NA +MJ063671 Mycotrophein C25H44O6 440.313789 NA MeJP NA NA +C08965 Pfaffic acid C29H44O3 440.329 NA KEGG NA NA +MJ063672 17-Hydroxy-28-nor-12-ursene-3,11-dione; 17?-form C29H44O3 440.329045 NA MeJP NA NA +MJ063673 3,18-Dihydroxy-28-nor-12-oleanen-16-one, 3-Ketone C29H44O3 440.329045 NA MeJP NA NA +MJ063674 3-Hydroxy-27-nor-12,14-oleanadien-28-oic acid C29H44O3 440.329045 NA MeJP NA NA +MJ063675 3-Hydroxy-28-nor-16-oxo-12-oleanen-23-al C29H44O3 440.329045 NA MeJP NA NA +MJ063676 3-Hydroxy-28-nor-16-oxo-17-oleanen-23-al C29H44O3 440.329045 NA MeJP NA NA +MJ063677 3-Hydroxy-30-nor-12,18-oleanadien-29-oic acid C29H44O3 440.329045 NA MeJP NA NA +MJ063678 3-Hydroxy-30-nor-12,19-oleanadien-28-oic acid C29H44O3 440.329045 NA MeJP NA NA +MJ063679 3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid C29H44O3 440.329045 NA MeJP NA NA +MJ063680 3-Oxo-24-nor-12-ursen-28-oic acid C29H44O3 440.329045 NA MeJP NA NA +MJ063681 Aragusterol D C29H44O3 440.329045 NA MeJP NA NA +MJ063682 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-Undecanoyl C29H44O3 440.329045 NA MeJP NA NA +MJ063683 Larreagenin A C29H44O3 440.329045 NA MeJP NA NA +MJ063684 Pfaffic acid C29H44O3 440.329045 NA MeJP NA NA +MJ063685 Stoloniferone D C29H44O3 440.329045 NA MeJP NA NA +MJ063686 3,20-Diaminopregn-2-en-4-ol, 4-Ketone, N20,N20-di-Me, N3-tigloyl C28H44N2O2 440.340278 NA MeJP NA NA +MJ063687 3,20-Diaminopregn-5-en-4-one, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl) C28H44N2O2 440.340278 NA MeJP NA NA +MJ063688 3,20-Diaminopregn-5-en-4-one, N20,N20-Di-Me, N3-angeloyl C28H44N2O2 440.340278 NA MeJP NA NA +MJ063689 3,20-Diaminopregna-4,14-dien-2-ol, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl) C28H44N2O2 440.340278 NA MeJP NA NA +MJ063690 Harappamine; N20-Formyl C28H44N2O2 440.340278 NA MeJP NA NA +C14928 17-[[3-(1-Pyrrolidinyl)propyl]imino]androst-5-en-3beta-ol acetate C28H44N2O2 440.3403 NA KEGG NA NA +MJ063691 5,6-Dihydro-6-(2,4,6-trihydroxyheneicosyl)-2H-pyran-2-one C26H48O5 440.350174 NA MeJP NA NA +MJ063692 Momordol C26H48O5 440.350174 NA MeJP NA NA +C17394 Karounidiol C30H48O2 440.3654 NA KEGG NA NA +C17422 Soyasapogenol C C30H48O2 440.3654 NA KEGG NA NA +HMDB01421 4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol C30H48O2 440.365417 NA HMDB2010 NA NA +HMDB01421 4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol C30H48O2 440.36542 http://www.hmdb.ca/metabolites/HMDB01421 HMDB NA NA +HMDB01421 4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol C30H48O2 440.36542 HMDB01421 PFEM_hmdb_metabocards_official NA NA +MJ063693 1,3-Friedelanedione C30H48O2 440.36543 NA MeJP NA NA +MJ063694 1-Hydroxy-6-friedelen-3-one C30H48O2 440.36543 NA MeJP NA NA +MJ063695 11,12-Epoxy-14-taraxeren-3-ol C30H48O2 440.36543 NA MeJP NA NA +MJ063696 11,13(18)-Oleanadiene-3,22-diol C30H48O2 440.36543 NA MeJP NA NA +MJ063697 11,13(18)-Oleanadiene-3,24-diol C30H48O2 440.36543 NA MeJP NA NA +MJ063698 11-Hydroxy-1-friedelen-3-one; 11?-form C30H48O2 440.36543 NA MeJP NA NA +MJ063699 12,15-Oleanadiene-3,28-diol C30H48O2 440.36543 NA MeJP NA NA +MJ063700 12,20(30)-Ursadiene-3,28-diol C30H48O2 440.36543 NA MeJP NA NA +MJ063701 12,21-Oleanadiene-3,24-diol C30H48O2 440.36543 NA MeJP NA NA +MJ063702 12-Oleanene-1,3-diol, 1-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063703 12-Oleanene-1,3-diol; 3?-form, 1-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063704 12-Oleanene-3,11-diol, 11-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063705 12-Oleanene-3,11-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063706 12-Oleanene-3,22-diol, 22-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063707 12-Oleanene-3,24-diol; 3?-form, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063708 12-Oleanene-3,28-diol, 28-Aldehyde C30H48O2 440.36543 NA MeJP NA NA +MJ063709 12-Oleanene-3,28-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063710 12-Oleanene-3,29-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063711 12-Oleanene-3,6-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063712 12-Ursene-3,11-diol, 11-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063713 12-Ursene-3,11-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063714 12-Ursene-3,28-diol, 28-Aldehyde C30H48O2 440.36543 NA MeJP NA NA +MJ063715 13(18),15-Oleanadiene-3,28-diol C30H48O2 440.36543 NA MeJP NA NA +MJ063716 13,28-Epoxy-11-oleanen-3-ol C30H48O2 440.36543 NA MeJP NA NA +MJ063717 13,28-Epoxy-11-ursen-3-ol C30H48O2 440.36543 NA MeJP NA NA +MJ063718 14-Serratene-3,21-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063719 14-Serratene-3,21-diol, 21-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063720 14-Taraxeren-24-oic acid C30H48O2 440.36543 NA MeJP NA NA +MJ063721 14-Taraxerene-3,28-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063722 14-Taraxerene-3,29-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063723 15,17(21)-Hopadiene-3,6-diol C30H48O2 440.36543 NA MeJP NA NA +MJ063724 15-Hydroxy-3-friedelanone; 15?-form, 15-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063725 16,21-Pachysanadiene-3,28-diol C30H48O2 440.36543 NA MeJP NA NA +MJ063726 16,23-Epoxycycloart-24-en-3-ol C30H48O2 440.36543 NA MeJP NA NA +MJ063727 16,23-Epoxylanosta-8,24-dien-3-ol C30H48O2 440.36543 NA MeJP NA NA +MJ063728 16-Hydroxydammara-20(22),25-diene-3-one; 16?-form C30H48O2 440.36543 NA MeJP NA NA +MJ063729 16-Hydroxydammara-20,24-dien-3-one; 16?-form C30H48O2 440.36543 NA MeJP NA NA +MJ063730 17,29-Epoxyhopane, 29-Oxo C30H48O2 440.36543 NA MeJP NA NA +MJ063731 17-Hydroxy-29-hopanoic acid, Lactone C30H48O2 440.36543 NA MeJP NA NA +MJ063732 18-Oleanene-3,16-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063733 2,3-Friedelanediol; 3?-form, 2,3-Diketone C30H48O2 440.36543 NA MeJP NA NA +MJ063734 20(29)-Lupen-3-ol, 3-Ketone, 20?,29-epoxide C30H48O2 440.36543 NA MeJP NA NA +MJ063735 20(29)-Lupene-1,3-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063736 20(29)-Lupene-3,16-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063737 20(29)-Lupene-3,28-diol, 28-O-Aldehyde C30H48O2 440.36543 NA MeJP NA NA +MJ063738 20(29)-Lupene-3,28-diol, 3-O-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063739 20(29)-Lupene-3,28-diol; 3?-form, 28-O-Aldehyde C30H48O2 440.36543 NA MeJP NA NA +MJ063740 20(29)-Lupene-3,6-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063741 20(30)-Lupene-3,29-diol, 29-Aldehyde C30H48O2 440.36543 NA MeJP NA NA +MJ063742 20(30)-Lupene-3,29-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063743 20,21-Epoxycycloart-24-en-3-ol C30H48O2 440.36543 NA MeJP NA NA +MJ063744 20,24-Epoxy-25-dammaren-3-ol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063745 20-Hydroxy-12-ursen-3-one; 20?-form C30H48O2 440.36543 NA MeJP NA NA +MJ063746 20-Taraxastene-3,22-diol, 22-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063747 20-Taraxastene-3,6-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063748 21,22-Epoxy-20(30)-taraxen-3-ol C30H48O2 440.36543 NA MeJP NA NA +MJ063749 21,23-Epoxycycloart-24-en-3-ol C30H48O2 440.36543 NA MeJP NA NA +MJ063750 21,23-Epoxytirucalla-7,24-dien-3-ol C30H48O2 440.36543 NA MeJP NA NA +MJ063751 21,26-Dihydroxy-3-friedelanone; 21?-form, 21-Deoxy, 26-aldehyde C30H48O2 440.36543 NA MeJP NA NA +MJ063752 21-Hydroxy-20(29)-lupen-3-one; 21?-form C30H48O2 440.36543 NA MeJP NA NA +MJ063753 22(30)-Hopen-29-ol; Carboxylic acid C30H48O2 440.36543 NA MeJP NA NA +MJ063754 22,28-Hopanediol; 28-Carboxylic acid, 28?22 lactone C30H48O2 440.36543 NA MeJP NA NA +MJ063755 23-Hydroxy-18-oleanen-3-one C30H48O2 440.36543 NA MeJP NA NA +MJ063756 24,25-Epoxycycloartan-3-ol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063757 24-Hydroxydammara-20,25-dien-3-one; 24?-form C30H48O2 440.36543 NA MeJP NA NA +MJ063758 25-Hydroxy-3-friedelanone; 25-Aldehyde C30H48O2 440.36543 NA MeJP NA NA +MJ063759 25-Nor-7-fernen-10-ol; 10?-form, O-Formyl C30H48O2 440.36543 NA MeJP NA NA +MJ063760 29-Hydroxy-1-friedelen-3-one C30H48O2 440.36543 NA MeJP NA NA +MJ063761 3,11-Friedelanedione C30H48O2 440.36543 NA MeJP NA NA +MJ063762 3,12-Friedelanedione C30H48O2 440.36543 NA MeJP NA NA +MJ063763 3,16-Friedelanedione C30H48O2 440.36543 NA MeJP NA NA +MJ063764 3,21-Friedelanediol, 4,23-Didehydro, 3-ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063765 3,21-Gammaceranediol, 3,21-Diketone C30H48O2 440.36543 NA MeJP NA NA +MJ063766 3,28-Friedelanediol; 3?-form, 3-Ketone, 28-aldehyde C30H48O2 440.36543 NA MeJP NA NA +MJ063767 3,29-Friedelanediol, 3-Ketone, 29-aldehyde C30H48O2 440.36543 NA MeJP NA NA +MJ063768 3,30-Friedelanediol; 3?-form, 30-Aldehyde, 3-ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063769 3,4-Seco-4(23),14-taraxeradien-3-oic acid C30H48O2 440.36543 NA MeJP NA NA +MJ063770 3,4-Seco-4(23),18-oleanadien-3-oic acid C30H48O2 440.36543 NA MeJP NA NA +MJ063771 3,4-Seco-4(23),22(29)-hopadien-3-oic acid C30H48O2 440.36543 NA MeJP NA NA +MJ063772 3,4-Seco-4(23),9(11)-fernadien-3-oic acid C30H48O2 440.36543 NA MeJP NA NA +MJ063773 3,4-Secotirucalla-4(28),7,24-trien-3-oic acid C30H48O2 440.36543 NA MeJP NA NA +MJ063774 3,7-Friedelanediol; 3?-form, Diketone C30H48O2 440.36543 NA MeJP NA NA +MJ063775 3-Filicen-23-al; 23-Carboxylic acid C30H48O2 440.36543 NA MeJP NA NA +MJ063776 3-Hydroxy-14-taraxeren-28-al C30H48O2 440.36543 NA MeJP NA NA +MJ063777 3-Hydroxy-18-lupen-21-one C30H48O2 440.36543 NA MeJP NA NA +MJ063778 3-Hydroxy-24-methylene-29-norlanost-8-en-11-one C30H48O2 440.36543 NA MeJP NA NA +MJ063779 3-Hydroxy-28-methylstigmasta-5,22-dien-7-one C30H48O2 440.36543 NA MeJP NA NA +MJ063780 3-Hydroxy-30-nor-14-serraten-21-one, Me ether C30H48O2 440.36543 NA MeJP NA NA +MJ063781 3-Hydroxy-30-nor-14-serraten-21-one; 3?-form, Me ether C30H48O2 440.36543 NA MeJP NA NA +MJ063782 3-Hydroxy-4,14-dimethylergost-8,24(28)-dien-7-one C30H48O2 440.36543 NA MeJP NA NA +MJ063783 3-Hydroxy-8-fernen-7-one C30H48O2 440.36543 NA MeJP NA NA +MJ063784 3-Hydroxy-8-multifloren-7-one C30H48O2 440.36543 NA MeJP NA NA +MJ063785 3-Hydroxycucurbita-5,24-dien-7-one C30H48O2 440.36543 NA MeJP NA NA +MJ063786 3-Hydroxycycloart-24-en-26-oic acid, 26-Aldehyde C30H48O2 440.36543 NA MeJP NA NA +MJ063787 3-Hydroxylanosta-8,24-dien-7-one C30H48O2 440.36543 NA MeJP NA NA +MJ063788 3-Oxo-20,24-dammaradien-26-al, 26-Alcohol C30H48O2 440.36543 NA MeJP NA NA +MJ063789 4,15,26-Triacontatriene-1,29-diyne-3,28-diol C30H48O2 440.36543 NA MeJP NA NA +MJ063790 5-Adianen-28-oic acid C30H48O2 440.36543 NA MeJP NA NA +MJ063791 6,8-Multifloradiene-3,29-diol; 3?-form C30H48O2 440.36543 NA MeJP NA NA +MJ063792 7,25-Epoxy-9(11)-fernen-8-ol C30H48O2 440.36543 NA MeJP NA NA +MJ063793 7,9(11)-Fernadiene-3,16-diol C30H48O2 440.36543 NA MeJP NA NA +MJ063794 7,9(11)-Multifloradiene-3,29-diol C30H48O2 440.36543 NA MeJP NA NA +MJ063795 7-Fernen-28-oic acid C30H48O2 440.36543 NA MeJP NA NA +MJ063796 8-Fernen-28-oic acid C30H48O2 440.36543 NA MeJP NA NA +MJ063797 8-Multiflorene-3,16-diol, 16-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063798 8-Multiflorene-3,16-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063799 9(11),12-Oleanadiene-3,7-diol C30H48O2 440.36543 NA MeJP NA NA +MJ063800 9(11)-Fernen-24-oic acid C30H48O2 440.36543 NA MeJP NA NA +MJ063801 9(11)-Fernen-25-ol; Carboxylic acid C30H48O2 440.36543 NA MeJP NA NA +MJ063802 9(11)-Fernen-28-oic acid C30H48O2 440.36543 NA MeJP NA NA +MJ063803 Canaric acid C30H48O2 440.36543 NA MeJP NA NA +MJ063804 Cycloart-20-ene-3,24-dione; 24?-Alcohol C30H48O2 440.36543 NA MeJP NA NA +MJ063805 Cycloart-23-ene-3,25-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063806 Cycloart-24-ene-3,16-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063807 Cycloart-24-ene-3,21-diol, 21-Aldehyde C30H48O2 440.36543 NA MeJP NA NA +MJ063808 Cycloart-24-ene-3,22-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063809 Cycloart-24-ene-3,23-diol, 23-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063810 Cycloart-24-ene-3,23-diol; 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063811 Cycloart-24-ene-3,23-diol; 23-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063812 Cycloart-25-ene-3,24-diol, 24-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063813 Cycloart-25-ene-3,24-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063814 Cycloarta-22,24-diene-3,21-diol C30H48O2 440.36543 NA MeJP NA NA +MJ063815 Cycloartane-3,24-dione C30H48O2 440.36543 NA MeJP NA NA +MJ063816 Entandrolide C30H48O2 440.36543 NA MeJP NA NA +MJ063817 Eupha-7,24-diene-3,26-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063818 Kulinone C30H48O2 440.36543 NA MeJP NA NA +MJ063819 Lanosta-7,9(11),24-triene-3,15-diol C30H48O2 440.36543 NA MeJP NA NA +MJ063820 Lanosta-7,9(11),24-triene-3,21-diol C30H48O2 440.36543 NA MeJP NA NA +MJ063821 Lanosta-7,9(11),24-triene-3,22-diol C30H48O2 440.36543 NA MeJP NA NA +MJ063822 Lanosta-7,9(11),24-triene-3,26-diol C30H48O2 440.36543 NA MeJP NA NA +MJ063823 Lanosta-8,24-diene-3,21-diol, 21-Aldehyde C30H48O2 440.36543 NA MeJP NA NA +MJ063824 Lanosta-8,24-diene-3,21-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063825 Lanosta-8,24-diene-3,23-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063826 Nyctanthic acid C30H48O2 440.36543 NA MeJP NA NA +MJ063827 Roburic acid C30H48O2 440.36543 NA MeJP NA NA +MJ063828 Tamarixol; 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MJ063829 Tirucalla-7,24-diene-3,23-diol, 3-Ketone C30H48O2 440.36543 NA MeJP NA NA +MetaCyc03565 4,4-dimethyl-14α-formyl-5α-cholesta-8,24-dien-3β-ol [] C30H48O2 440.365431 NA metacyc NA NA +MJ063830 Trichoverrol A; 6',7'-Diepimer, 2'E-isomer C23H52O7 440.371304 NA MeJP NA NA +MJ063831 Trichoverrol A; 6'-Epimer, 2'E-isomer C23H52O7 440.371304 NA MeJP NA NA +MJ063832 Homomoenjodaramine C29H48N2O 440.376664 NA MeJP NA NA +HMDB11559 MG(0:0/24:1(15Z)/0:0) C27H52O4 440.386566 NA HMDB2010 NA NA +HMDB11589 MG(24:1(15Z)/0:0/0:0) C27H52O4 440.386566 NA HMDB2010 NA NA +C08830 24-Methylenecycloartanol C31H52O 440.4018 NA KEGG NA NA +C11513 (24R)-24-Methylcycloarta-25-en-3-beta-ol C31H52O 440.4018 NA KEGG NA NA +C16916 Arundoin C31H52O 440.4018 NA KEGG NA NA +C17534 Cylindrin C31H52O 440.4018 NA KEGG NA NA +MJ063833 12-Oleanen-3-ol, Me ether C31H52O 440.401816 NA MeJP NA NA +MJ063834 12-Ursen-3-ol, Me ether C31H52O 440.401816 NA MeJP NA NA +MJ063835 14-Taraxeren-3-ol, Me ether C31H52O 440.401816 NA MeJP NA NA +MJ063836 18-Oleanen-3-ol, Me ether C31H52O 440.401816 NA MeJP NA NA +MJ063837 20(29)-Lupen-3-ol, Me ether C31H52O 440.401816 NA MeJP NA NA +MJ063838 22(29)-Hopen-3-ol, Me ether C31H52O 440.401816 NA MeJP NA NA +MJ063839 24,24,26,26-Tetramethylcholesta-5,25(27)-dien-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063840 24,24-Dimethyl-29-norcycloart-20-en-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063841 24-Methylcycloart-20-en-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063842 24-Methylcycloart-24-en-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063843 24-Methylcycloart-25-en-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063844 24-Methylenecycloartan-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063845 24-Methylenelanost-8-en-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063846 24-Methylenelanost-9(11)-en-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063847 24-Methyllanosta-9(11),25-dien-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063848 24-Methyltirucalla-5,25-dien-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063849 24-Propyl-24,28-methylenecholest-5-en-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063850 25,26,27-Trimethylergosta-5,24(28)-dien-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063851 25-Isopropyl-27-norstigmasta-7,25-dien-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063852 26,27-Dimethylstigmasta-5,24(28)-dien-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063853 26,27-Dimethylstigmasta-5,25-dien-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063854 4,14-Dimethylstigmasta-8,24(28)-dien-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063855 4,14-Dimethylstigmasta-8,25-dien-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063856 4,14-Dimethylstigmasta-9(11),24(28)-dien-3-ol C31H52O 440.401816 NA MeJP NA NA +MJ063857 7-Baueren-3-ol, Me ether C31H52O 440.401816 NA MeJP NA NA +MJ063858 7-Multifloren-3-ol, Me ether C31H52O 440.401816 NA MeJP NA NA +MJ063859 9(11)-Arborinen-3-ol, Me ether C31H52O 440.401816 NA MeJP NA NA +MJ063860 9(11)-Arborinen-3-ol; 3?-form, Me ether C31H52O 440.401816 NA MeJP NA NA +MJ063861 9(11)-Fernen-3-ol, Me ether C31H52O 440.401816 NA MeJP NA NA +MJ063862 Axinyssasterol C31H52O 440.401816 NA MeJP NA NA +MJ063863 Cyclocaducinol C31H52O 440.401816 NA MeJP NA NA +MJ063864 Cyclofuntumienol C31H52O 440.401816 NA MeJP NA NA +MJ063865 Cyclonervilol C31H52O 440.401816 NA MeJP NA NA +MJ063866 Cyclopterospermol C31H52O 440.401816 NA MeJP NA NA +MJ063867 Cyclosadol C31H52O 440.401816 NA MeJP NA NA +MJ063868 Cyclotrichosantol C31H52O 440.401816 NA MeJP NA NA +MJ063869 Euphorbinol C31H52O 440.401816 NA MeJP NA NA +MJ063870 Euphorbol C31H52O 440.401816 NA MeJP NA NA +MetaCyc03566 (24R)-24-methylcycloarta-25-en-3-β-ol [] C31H52O1 440.401816 NA metacyc NA NA +MetaCyc03567 24-methylenecycloartenol [24(28)-methylenecycloartenol;] C31H52O1 440.401816 NA metacyc NA NA +MJ063871 Plakinamine A; 23?,24?,25,30-Tetrahydro, N30-Me C30H52N2 440.413049 NA MeJP NA NA +MJ063872 28-Hydroxyoctacosanoic acid C28H56O3 440.422945 NA MeJP NA NA +MJ063873 1,10-Nonacosanediol C29H60O2 440.459331 NA MeJP NA NA +MJ063874 1,18-Nonacosanediol C29H60O2 440.459331 NA MeJP NA NA +MJ063875 10,13-Nonacosanediol C29H60O2 440.459331 NA MeJP NA NA +MJ063876 10,16-Nonacosanediol C29H60O2 440.459331 NA MeJP NA NA +MJ063877 27-Methyl-1,3-octacosanediol C29H60O2 440.459331 NA MeJP NA NA +MJ063878 4,10-Nonacosanediol C29H60O2 440.459331 NA MeJP NA NA +MJ063879 5,10-Nonacosanediol C29H60O2 440.459331 NA MeJP NA NA +MJ063880 5,8-Nonacosanediol C29H60O2 440.459331 NA MeJP NA NA +MJ063881 6,10-Nonacosanediol C29H60O2 440.459331 NA MeJP NA NA +MJ063882 6,21-Nonacosanediol C29H60O2 440.459331 NA MeJP NA NA +MJ063883 6,8-Nonacosanediol C29H60O2 440.459331 NA MeJP NA NA +MJ063884 7,10-Nonacosanediol C29H60O2 440.459331 NA MeJP NA NA +MJ063885 8,10-Nonacosanediol C29H60O2 440.459331 NA MeJP NA NA +MJ063886 8,9-Nonacosanediol C29H60O2 440.459331 NA MeJP NA NA +MJ063887 9,10-Nonacosanediol C29H60O2 440.459331 NA MeJP NA NA +MJ063888 3,4-Dihydroxybenzyl glucosinolate C14H19NO11S2 441.039951 NA MeJP NA NA +MJ063889 Sporidesmin H C18H20ClN3O4S2 441.058375 NA MeJP NA NA +PJ001502 CCCN C13H23N5O6S3 441.0811 NA PeJP NA NA +MJ063890 Xestoquinone; 14-(2-Sulfoethylamino) C22H19NO7S 441.088222 NA MeJP NA NA +MJ063891 Xestoquinone; 15-(2-Sulfoethylamino) C22H19NO7S 441.088222 NA MeJP NA NA +MJ063892 Aristolactam I; O-De-Me, N-?-D-glucopyranosyl C22H19NO9 441.105981 NA MeJP NA NA +MJ063893 Aristolactam IIIa; N-?-D-Glucopyranoside C22H19NO9 441.105981 NA MeJP NA NA +MJ063894 Temelastine C21H24BrN5O 441.116423 NA MeJP NA NA +MJ063895 Lycorine, O2-Glycerophosphoryl C19H24NO9P 441.118867 NA MeJP NA NA +C12948 Mazaticol hydrochloride C21H27NO3S2 441.1199 NA KEGG NA NA +C12949 Transferred to D01500 C21H27NO3S2 441.1199 NA KEGG NA NA +C12950 Transferred to D01501 C21H27NO3S2 441.1199 NA KEGG NA NA +C12951 Transferred to D01502 C21H27NO3S2 441.1199 NA KEGG NA NA +C12952 Transferred to D01503 C21H27NO3S2 441.1199 NA KEGG NA NA +C12953 Transferred to D01504 C21H27NO3S2 441.1199 NA KEGG NA NA +C07751 Dofetilide C19H27N3O5S2 441.1392 NA KEGG NA NA +MJ063896 Dofetilide C19H27N3O5S2 441.139212 NA MeJP NA NA +HMDB00121 Folic acid C19H19N7O6 441.139679 NA HMDB2010 NA NA +HMDB00121 Folic acid C19H19N7O6 441.13968 http://www.hmdb.ca/metabolites/HMDB00121 PFEM_hmdb_metabocards_urine NA urine +HMDB00121 Folic acid C19H19N7O6 441.13968 http://www.hmdb.ca/metabolites/HMDB00121 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00121 Folic acid C19H19N7O6 441.13968 http://www.hmdb.ca/metabolites/HMDB00121 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00121 Folic acid C19H19N7O6 441.13968 http://www.hmdb.ca/metabolites/HMDB00121 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00121 Folic acid C19H19N7O6 441.13968 http://www.hmdb.ca/metabolites/HMDB00121 HMDB NA NA +HMDB00121 Folic acid C19H19N7O6 441.13968 http://www.hmdb.ca/metabolites/HMDB00121 PFEM_hmdb_metabocards_blood NA blood +HMDB00121 Folic acid C19H19N7O6 441.13968 HMDB00121 PFEM_hmdb_metabocards_official NA NA +MJ063897 Pteroylglutamic acid C19H19N7O6 441.139681 NA MeJP NA NA +MJ063898 Folic acid C19H19N7O6 441.139681 NA MeJP NA NA +MetaCyc03568 folate [pteroyl-glutamate;pteroyl-glu;folic-acid;PGA;vitamin-M;pteroylglutamic-acid;pteroyl-L-glutamic acid;vitamin B9;lactobacillus casei factor;vitamin Bc;] C19H19N7O6 441.139681 75708-92-8 metacyc NA NA +EUR063 Folate C19H19N7O6 441.1397 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR063 Folate C19H19N7O6 441.1397 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR063 Folate C19H19N7O6 441.1397 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR063 Folate C19H19N7O6 441.1397 Wishlist Inhousejuil11 NA NA +C00504 Folate C19H19N7O6 441.1397 NA KEGG NA NA +C00505 Gentamicin C19H19N7O6 441.1397 NA KEGG NA NA +EUR364 Folate F1 C19H19N7O6 441.139775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR364 Folate F1 NA 441.139775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR364 Folate F1 C19H19N7O6 441.139775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR364 Folate F1 NA 441.139775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR364 Folate F1 C19H19N7O6 441.139775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR364 Folate F1 NA 441.139775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR364 Folate F1 C19H19N7O6 441.139775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR364 Folate F1 C19H19N7O6 441.139775 standards wishlist analysés sur QTOF HMDB NA NA +EUR364 Folate F1 C19H19N7O6 441.139775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR364 Folate F1 NA 441.139775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR364 Folate F1 C19H19N7O6 441.139775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR364 Folate F1 C19H19N7O6 441.139775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ063899 2-Hydroxy-2-phenylacetonitrile, O-[4-Hydroxy-E-cinnamoyl-(?4)-?-D-glucopyranoside] C23H23NO8 441.142366 NA MeJP NA NA +PJ001503 EMY C19H27N3O7S 441.157 NA PeJP NA NA +PJ001504 GNDH C16H23N7O8 441.1608 NA PeJP NA NA +MJ063900 Troglitazone C24H27NO5S 441.160993 NA MeJP NA NA +MJ063901 2-Hydroxy-2-phenylacetonitrile, O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C20H27NO10 441.163496 NA MeJP NA NA +MJ063902 Clotixamide C24H28ClN3OS 441.16416 NA MeJP NA NA +MJ063903 Antibiotic K 252c; N13-(2,6-Dideoxy-?-D-ribo-hexopyranosyl) C26H23N3O4 441.168856 NA MeJP NA NA +MJ063904 Tomeglovir C23H27N3O4S 441.172227 NA MeJP NA NA +3307 NA PYY 441.178 celiac toxic Inhouse_peptide NA peptide +3785 NA YYP 441.178 ACE inhibitor Inhouse_peptide NA peptide +MJ063905 N-Deacetylcolchicine, N-(3-Oxobutanoyl) C24H27NO7 441.178752 NA MeJP NA NA +MJ063906 17-Hydroxyestr-4-en-3-one; 17?-form, Bis(2-chloroethyl)carbamoyl C23H33Cl2NO3 441.183749 NA MeJP NA NA +PJ001505 PPND C18H27N5O8 441.186 NA PeJP NA NA +MJ063907 Tunichrome Mm2 C23H27N3O6 441.189985 NA MeJP NA NA +PJ001506 PYY C23H27N3O6 441.19 NA PeJP NA NA +MJ063908 Bacmecillinam C20H31N3O6S 441.193356 NA MeJP NA NA +PJ001507 GTQH C17H27N7O7 441.1972 NA PeJP NA NA +MJ063909 Onetine; O12-Ac C21H31NO9 441.199881 NA MeJP NA NA +MJ063910 Parsonsianine C21H31NO9 441.199881 NA MeJP NA NA +MJ063911 Alprenolol-NBD C22H27N5O5 441.201218 NA MeJP NA NA +MJ063912 Apicularen A C25H31NO6 441.215137 NA MeJP NA NA +MJ063913 Deflazacort C25H31NO6 441.215137 NA MeJP NA NA +MJ063914 Vilazodone C26H27N5O2 441.216475 NA MeJP NA NA +MJ063915 Perbufylline C23H28FN5O3 441.217617 NA MeJP NA NA +PJ001508 PPTQ C19H31N5O7 441.2224 NA PeJP NA NA +MJ063916 Phebestin C24H31N3O5 441.226371 NA MeJP NA NA +PJ001509 LFY C24H31N3O5 441.2264 NA PeJP NA NA +MJ063917 Antibiotic SF 1306B C18H31N7O6 441.233581 NA MeJP NA NA +PJ001510 GTKH C18H31N7O6 441.2336 NA PeJP NA NA +MJ063918 Aconitane-1,3,4,7,8,9,14,16-octol, O14,O16-Di-Me, N-Et C22H35NO8 441.236267 NA MeJP NA NA +MJ063919 Ipanguline D3; 7-O-(2-Methylbutanoyl), 2'',3''-di-Ac C22H35NO8 441.236267 NA MeJP NA NA +7705 pyrokinin TENMO-PK-2 SPPFAPRL~ 441.247 MH2+ Inhouse_peptide NA peptide +MJ063920 Dehydronapelline; Di-Ac C26H35NO5 441.251523 NA MeJP NA NA +HMDB02355 Leukotriene E3 C23H39NO5S 441.25488 http://www.hmdb.ca/metabolites/HMDB02355 HMDB NA NA +HMDB02355 Leukotriene E3 C23H39NO5S 441.25488 HMDB02355 PFEM_hmdb_metabocards_official NA NA +HMDB02355 Leukotriene E3 C23H39NO5S 441.254883 NA HMDB2010 NA NA +PJ001511 PPTK C20H35N5O6 441.2588 NA PeJP NA NA +PJ001512 GPLR C19H35N7O5 441.27 NA PeJP NA NA +MJ063921 Ipanguline D3; 3'',7-Bis(2-methylbutanoyl) C23H39NO7 441.272652 NA MeJP NA NA +MJ063922 Antibiotic NK 170204B C27H39NO4 441.287908 NA MeJP NA NA +PJ001513 PVVK C21H39N5O5 441.2951 NA PeJP NA NA +C07707 Perindopril erbumine C19H32N2O5 441.3203 NA KEGG NA NA +MJ063923 1-[17-(3,4-Methylenedioxyphenyl)-16-heptadecenoyl]pyrrolidine C28H43NO3 441.324294 NA MeJP NA NA +MJ063924 Cyclobuxophylline O; N-Me, N-ethoxycarbonyl C28H43NO3 441.324294 NA MeJP NA NA +HMDB13339 3-Hydroxy-11Z-octadecenoylcarnitine C25H47NO5 441.345428 NA HMDB2010 NA NA +HMDB13340 3-Hydroxy-9Z-octadecenoylcarnitine C25H47NO5 441.345428 NA HMDB2010 NA NA +MJ063925 Stigmast-4-ene-3,6-diol, 3,6-Diketone, 6-oxime C29H47NO2 441.360679 NA MeJP NA NA +MJ063926 Alkaloid LE1 C28H47N3O 441.371913 NA MeJP NA NA +MJ063927 Gnidine C29H51N3 441.408298 NA MeJP NA NA +MJ063928 1,1-Dibromo-4-chloro-2-iodo-1-octen-3-one C8H10Br2ClIO 441.783161 NA MeJP NA NA +MJ063929 Dysamide A; 1',3-Didehydro(E-), N1-de-Me C13H16Cl6N2O2 441.934294 NA MeJP NA NA +MJ063930 Colpol C17H16Br2O4 441.941534 NA MeJP NA NA +MJ063931 2,10-Dibromo-3-chloro-5,10:7,8-diepoxy-9-chamigranol C15H21Br2ClO3 441.954597 NA MeJP NA NA +MJ063932 2,10-Dibromo-3-chloro-7,8-epoxy-9-chamigren-5-ol; 9?,10?-Epoxide C15H21Br2ClO3 441.954597 NA MeJP NA NA +MJ063933 N-[2-(2-Amino-1H-imidazol-4-yl)ethyl]-3-(3,5-dibromo-4-methoxyphenyl)-2-propenamide C15H16Br2N4O2 441.964001 NA MeJP NA NA +MJ063934 Hamigeran B; 4-Bromo C18H20Br2O3 441.977919 NA MeJP NA NA +MJ063935 Nidulin C20H17Cl3O5 442.014156 NA MeJP NA NA +PJ001514 CCCD C13H22N4O7S3 442.0651 NA PeJP NA NA +MJ063936 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5-O-(6-O-Malonyl-?-D-glucopyranoside) C18H18O13 442.07474 NA MeJP NA NA +FL631GNS0003 Robinetinidol 3-O-gallate C22H18O10 442.08999 126999-62-0 knapsack NA NA +FL631GNS0004 ent-Robinetinidol 3-O-gallate C22H18O10 442.08999 17445-91-9 knapsack NA NA +FL63ACNS0005 Catechin 3-O-gallate C22H18O10 442.08999 25615-05-8 knapsack NA NA +FL63ACNS0006 (-)-Epicatechin 3-O-gallate C22H18O10 442.08999 1257-08-5 knapsack NA NA +FL63ACNS0007 ent-Catechin 3-O-gallate C22H18O10 442.08999 130405-40-2 knapsack NA NA +FL63ACNS0008 ent-Epicatechin 3-O-gallate C22H18O10 442.08999 17431-25-3 knapsack NA NA +FL63ACNS0011 Catechin 5-O-gallate C22H18O10 442.08999 128232-62-2 knapsack NA NA +FL63ACNS0012 Catechin 7-O-gallate C22H18O10 442.08999 89702-01-2 knapsack NA NA +FL63ACNS0013 Catechin 3'-O-gallate C22H18O10 442.08999 110801-35-9 knapsack NA NA +FL63ACNS0014 Catechin 4'-O-gallate C22H18O10 442.08999 110784-23-1 knapsack NA NA +MJ063937 3,3',4',5',7-Pentahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) C22H18O10 442.089996 NA MeJP NA NA +MJ063938 3,3',4',5',7-Pentahydroxyflavan, 3-(3,4,5-Trihydroxybenzoyl) C22H18O10 442.089996 NA MeJP NA NA +MJ063939 3,3',4',5,7-Pentahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) C22H18O10 442.089996 NA MeJP NA NA +MJ063940 3,3',4',5,7-Pentahydroxyflavan, 3'-O-(3,4,5-Trihydroxybenzoyl) C22H18O10 442.089996 NA MeJP NA NA +MJ063941 3,3',4',5,7-Pentahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) C22H18O10 442.089996 NA MeJP NA NA +MJ063942 3,3',4',5,7-Pentahydroxyflavan, 4'-O-(3,4,5-Trihydroxybenzoyl) C22H18O10 442.089996 NA MeJP NA NA +MJ063943 3,3',4',5,7-Pentahydroxyflavan, 5-O-(3,4,5-Trihydroxybenzoyl) C22H18O10 442.089996 NA MeJP NA NA +MJ063944 3,3',4',5,7-Pentahydroxyflavan, 7-O-(3,4,5-Trihydroxybenzoyl) C22H18O10 442.089996 NA MeJP NA NA +MJ063945 3,3',4',5,7-Pentahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) C22H18O10 442.089996 NA MeJP NA NA +MJ063946 4,4'-Biisofraxidin C22H18O10 442.089996 NA MeJP NA NA +PJ001515 SCCM C14H26N4O6S3 442.1015 NA PeJP NA NA +MJ063947 ?,?',2-Triamino-?,?',3-trioxo-3H-phenoxazine-1,9-dibutanoic acid C20H18N4O8 442.112463 NA MeJP NA NA +MJ063948 (2-Methyl-1-oxopropoxy)methyl 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-[(5-thioxo-3-pyrrolidinyl)thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid C19H26N2O6S2 442.123227 NA MeJP NA NA +FL5FFCNI0001 Flaccidine C23H22O9 442.12638 137832-26-9 knapsack NA NA +FL5FGANI0003 Pratensin A;5,7,8-Trihydroxy-3,6,4'-trimethoxyflavone 8-tiglate;(E)-5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid C23H22O9 442.12638 142609-00-5 knapsack NA NA +FLIFHXNF0011 Villol;6,12a-Dihydroxysumatrol C23H22O9 442.12638 65206-37-3 knapsack NA NA +MJ063949 3,3',4',5,7,8-Hexahydroxyflavone; 3',4',8-Tri-Me ether, 3-O-angeloyl C23H22O9 442.126382 NA MeJP NA NA +MJ063950 3,4',5,6,7,8-Hexahydroxyflavone; 3,4',6-Tri-Me ether, 8-O-tigloyl C23H22O9 442.126382 NA MeJP NA NA +MJ063951 Dehydroheliobuphthalmin; 5-Methoxy C23H22O9 442.126382 NA MeJP NA NA +MJ063952 Halawanone A C23H22O9 442.126382 NA MeJP NA NA +MJ063953 Lasiocarpin A; 3-Hydroxy C23H22O9 442.126382 NA MeJP NA NA +MJ063954 Villol C23H22O9 442.126382 NA MeJP NA NA +PJ001516 ACCF C18H26N4O5S2 442.1345 NA PeJP NA NA +C03206 12-Dehydrotetracycline C22H22N2O8 442.1376 NA KEGG NA NA +C07654 Methacycline C22H22N2O8 442.1376 NA KEGG NA NA +MJ063955 Metacycline C22H22N2O8 442.137615 NA MeJP NA NA +MJ063956 12-Dehydrotetracycline C22H22N2O8 442.137615 NA MeJP NA NA +MetaCyc03569 12-dehydrotetracycline [1-dimethylamino-2,4α,7,11-tetrahydroxy-11-methyl-4,5,6-trioxo- 4α,11,12,12α-tetrahydro-1H-tetracene-3-carboxamide;] C22H22N2O8 442.137616 NA metacyc NA NA +MJ063957 5-Benzoyl-2,3-dihydro-4-hydroxy-2-(1-hydroxyisopropyl)-9-phenyl-7H-furo[2,3-f][1]benzopyran-7-one C27H22O6 442.141638 NA MeJP NA NA +MJ063958 6-Benzoyl-8,9-dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one C27H22O6 442.141638 NA MeJP NA NA +MJ063959 Bequinostatin B; 6-Deoxy, 5,6-didehydro C27H22O6 442.141638 NA MeJP NA NA +MJ063960 Mulberrofuran H C27H22O6 442.141638 NA MeJP NA NA +MJ063961 Rubioncolin C C27H22O6 442.141638 NA MeJP NA NA +PJ001517 GDDH C16H22N6O9 442.1449 NA PeJP NA NA +MJ063962 3-[[6-[5-(Aminoiminomethyl)-2-hydroxyphenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N-dimethylbenzamide C22H20F2N4O4 442.145261 NA MeJP NA NA +MJ063963 1-O-Cinnamoylglucose; 6-O-?-L-Arabinofuranosyl C20H26O11 442.147511 NA MeJP NA NA +MJ063964 1-O-Coumaroylglycerol, 3-Ac, 2-O-?-D-glucopyranoside C20H26O11 442.147511 NA MeJP NA NA +MJ063965 2-Hydroxymethyl-2-butene-1,4-diol; 4-(3,4-Dihydroxycinnamoyl), 1-O-?-D-glucopyranoside C20H26O11 442.147511 NA MeJP NA NA +MJ063966 2-Hydroxymethyl-2-butene-1,4-diol; 5-(3,4-Dihydroxycinnamoyl), 1-O-?-D-glucopyranoside C20H26O11 442.147511 NA MeJP NA NA +MJ063967 2-O-Coumaroylglycerol, 3-Ac, 1-O-?-D-glucopyranoside C20H26O11 442.147511 NA MeJP NA NA +MJ063968 Eurycomanol; 13,18-Dihydro, 13?,18-dihydroxy, 2-ketone C20H26O11 442.147511 NA MeJP NA NA +MJ063969 Rhamnosyllactone A C20H26O11 442.147511 NA MeJP NA NA +MJ063970 Yadanziolide B C20H26O11 442.147511 NA MeJP NA NA +PJ001518 GTCY C18H26N4O7S 442.1522 NA PeJP NA NA +MJ063971 Antibiotic RP 1551-1; 3'-Deoxy, 2',3'-didehydro C25H27ClO5 442.154701 NA MeJP NA NA +MJ063972 Antibiotic RP 1551-3 C25H27ClO5 442.154701 NA MeJP NA NA +FL5FFCNI0003 4'-Hydroxy-3,5,8,3'-tetramethoxy-7-prenyloxyflavone C24H26O8 442.16276 132537-16-7 knapsack NA NA +FLIAFLNI0001 6-Prenylisocaviunin;5,7-Dihydroxy-8,2',4',5'-tetramethoxy-6-prenylisoflavone C24H26O8 442.16276 132923-42-3 knapsack NA NA +MJ063973 2',4',5,5',7,8-Hexahydroxy-6-prenylisoflavone; 2',4',5',8-Tetra-Me ether C24H26O8 442.162767 NA MeJP NA NA +MJ063974 3,3',4',5,7,8-Hexahydroxyflavone; 7-O-(3-Methyl-2-butenyl), 3,3',5,8-tetra-Me ether C24H26O8 442.162767 NA MeJP NA NA +MJ063975 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-di-Me ether, 9,9'-di-Ac C24H26O8 442.162767 NA MeJP NA NA +MJ063976 6,8,15-Trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, 8-(4-Hydroxyphenylacetyl), Me ester C24H26O8 442.162767 NA MeJP NA NA +MJ063977 Deacylinteriorin; 7-Ac C24H26O8 442.162767 NA MeJP NA NA +MJ063978 Deacylschiarisanrin; 10-Ac C24H26O8 442.162767 NA MeJP NA NA +MJ063979 Decursidinol, 3'-O-Angeloyl, 4'-O-(2,3-epoxy-2-methylbutanoyl) C24H26O8 442.162767 NA MeJP NA NA +MJ063980 Drummondin C C24H26O8 442.162767 NA MeJP NA NA +MJ063981 Isomallotochromanol; 3-Deoxy, 3,4-didehydro C24H26O8 442.162767 NA MeJP NA NA +MJ063982 Khellactone, 10-O-(2,3-Epoxy-2-methylbutanoyl), 9-angeloyl C24H26O8 442.162767 NA MeJP NA NA +MJ063983 Mallotochromene C24H26O8 442.162767 NA MeJP NA NA +MJ063984 Norlobaric acid C24H26O8 442.162767 NA MeJP NA NA +MJ063985 Podophyllotoxin; 8'-Epimer, Et ether C24H26O8 442.162767 NA MeJP NA NA +C09013 Mallotochromene C24H26O8 442.1628 NA KEGG NA NA +PJ001519 SPCH C17H26N6O6S 442.1635 NA PeJP NA NA +C02822 Cortisol 21-sulfate C21H30O8S 442.1661 NA KEGG NA NA +MetaCyc03570 cortisol 21-sulfate [] C21H30O8S1 442.166139 NA metacyc NA NA +MJ063986 ?-D-Xylopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-D-fucose C17H30O13 442.168641 NA MeJP NA NA +PJ001520 SSSY C18H26N4O9 442.17 NA PeJP NA NA +3582 NA YGGF 442.173 ACE inhibitor Inhouse_peptide NA peptide +MJ063987 Singapurensine A C23H26N2O7 442.174001 NA MeJP NA NA +MJ063988 Vomicine; 11-Methoxy, 19?,20?-epoxide, 15-hydroxy C23H26N2O7 442.174001 NA MeJP NA NA +MJ063989 Calteridol C17H29CaN4O7(-) 442.17404 NA MeJP NA NA +MJ063990 11,17,21-Trihydroxypregn-4-ene-3,20-dione, 21-O-Phosphate C21H31O8P 442.175654 NA MeJP NA NA +MJ063991 Diain C22H31ClO7 442.175831 NA MeJP NA NA +MJ063992 Perrottetin E; 10'-Hydroxy C28H26O5 442.178023 NA MeJP NA NA +MJ063993 Perrottetin E; 14'-Hydroxy C28H26O5 442.178023 NA MeJP NA NA +MJ063994 Perrottetin E; 3'-Hydroxy C28H26O5 442.178023 NA MeJP NA NA +MJ063995 Shanciguol C28H26O5 442.178023 NA MeJP NA NA +PJ001521 GTEH C17H26N6O8 442.1812 NA PeJP NA NA +MJ063996 3-Phenyl-2-propen-1-ol, O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside C21H30O10 442.183897 NA MeJP NA NA +MJ063997 4-(2-Propenyl)phenol; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C21H30O10 442.183897 NA MeJP NA NA +MJ063998 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, 15-O-?-D-glucopyranoside C21H30O10 442.183897 NA MeJP NA NA +MJ063999 8-Decene-4,6-diyn-1-ol, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H30O10 442.183897 NA MeJP NA NA +MJ064000 Serruloside C21H30O10 442.183897 NA MeJP NA NA +C10474 Lusitanicoside C21H30O10 442.1839 NA KEGG NA NA +PJ001522 NFY C22H26N4O6 442.1852 NA PeJP NA NA +PJ001523 GGFY C22H26N4O6 442.1853 NA PeJP NA NA +MJ064001 Siratiazem C24H30N2O4S 442.192628 NA MeJP NA NA +PJ001524 THW C21H26N6O5 442.1965 NA PeJP NA NA +FL2FA8NI0005 Exiguaflavanone M C25H30O7 442.19915 156281-23-1 knapsack NA NA +FL2FAANI0013 Lonchocarpol B C25H30O7 442.19915 111545-12-1 knapsack NA NA +MJ064002 1,3,5,7(14),10-Bisabolapentaene-1,2,4,8-tetrol; 1,4-Quinone, 2-angeloyl, 8-O-(2,3-epoxy-2-methylbutanoyl) C25H30O7 442.199153 NA MeJP NA NA +MJ064003 3,14-Dihydroxycacalol, 3-Ac, 9-propanoyl, 14-angeloyl C25H30O7 442.199153 NA MeJP NA NA +MJ064004 3,4-Epoxy-2,8-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 2,8-Diangeloyl C25H30O7 442.199153 NA MeJP NA NA +MJ064005 4',5,7-Trihydroxy-6,8-diprenylflavanone, 2''',3'''-Dihydro, 2''',3'''-dihydroxy C25H30O7 442.199153 NA MeJP NA NA +MJ064006 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 6,9-Diangeloyl C25H30O7 442.199153 NA MeJP NA NA +MJ064007 6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 6-Angeloyl, 9-(3-methyl-2-butenoyl) C25H30O7 442.199153 NA MeJP NA NA +MJ064008 8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8,11-Diangeloyl C25H30O7 442.199153 NA MeJP NA NA +MJ064009 Chrodrimanin A C25H30O7 442.199153 NA MeJP NA NA +MJ064010 Colensoic acid C25H30O7 442.199153 NA MeJP NA NA +MJ064011 Isochiliolide lactone; 6?-Angeloyloxy C25H30O7 442.199153 NA MeJP NA NA +MJ064012 Isochiliolide lactone; 7?-Angeloyloxy C25H30O7 442.199153 NA MeJP NA NA +MJ064013 Kushenol F; 4'',5''-Dihydro, 5''-hydroxy C25H30O7 442.199153 NA MeJP NA NA +MJ064014 Morinin P C25H30O7 442.199153 NA MeJP NA NA +MJ064015 Phyllanthocic acid; Me ester C25H30O7 442.199153 NA MeJP NA NA +MJ064016 Picrolichenic acid C25H30O7 442.199153 NA MeJP NA NA +MJ064017 Sophoraflavanone G; 8'',9''-Dihydro, 9''-hydroxy C25H30O7 442.199153 NA MeJP NA NA +MJ064018 Tricoccin S16 C25H30O7 442.199153 NA MeJP NA NA +MJ064019 Tricoccin S24; 9-Deoxo, 8,9-didehydro C25H30O7 442.199153 NA MeJP NA NA +MJ064020 Tricoccin S30 C25H30O7 442.199153 NA MeJP NA NA +8062 synthetic peptide RHM 442.1994 antioxidative Inhouse_peptide NA peptide +PJ001525 GVMH C18H30N6O5S 442.1999 NA PeJP NA NA +MJ064021 Kalihinol A; 10-Formamide, 5-isothiocyanate C22H35ClN2O3S 442.205691 NA MeJP NA NA +MJ064022 Kalihinol Xamide C22H35ClN2O3S 442.205691 NA MeJP NA NA +PJ001526 PPTE C19H30N4O8 442.2064 NA PeJP NA NA +MJ064023 10,11-Dimethoxy-1-methyldeacetylpicraline C24H30N2O6 442.210386 NA MeJP NA NA +MJ064024 Aspidoalbine; 18-Oxo C24H30N2O6 442.210386 NA MeJP NA NA +MJ064025 Cathovaline; 7-Hydroxy C24H30N2O6 442.210386 NA MeJP NA NA +MJ064026 Kopsinaline; 12-Methoxy, N-methoxycarbonyl C24H30N2O6 442.210386 NA MeJP NA NA +MJ064027 Picraphylline; 11,12-Dimethoxy C24H30N2O6 442.210386 NA MeJP NA NA +PJ001527 MHR C17H30N8O4S 442.2111 NA PeJP NA NA +MJ064028 6-Chloro-1,4,8,15-tetrahydroxy-6-hirsuten-5-one, 1-Octanoyl C23H35ClO6 442.212216 NA MeJP NA NA +MJ064029 Idenburgene C29H30O4 442.214409 NA MeJP NA NA +PJ001528 SSLH C18H30N6O7 442.2176 NA PeJP NA NA +MJ064030 ?-[(2-Carboxyethyl)thio]-2-(8-phenyloctyl)benzenepropanoic acid C26H34O4S 442.21778 NA MeJP NA NA +MJ064031 2,3-Epoxy-5,6,7,9,10,14,16-grayanotoxaneheptol, 6-Ac C22H34O9 442.220282 NA MeJP NA NA +MJ064032 Brefeldin A; 7-O-?-D-Galactopyranoside C22H34O9 442.220282 NA MeJP NA NA +MJ064033 Ryanodol; 10-Ac C22H34O9 442.220282 NA MeJP NA NA +PJ001529 PPVM C20H34N4O5S 442.225 NA PeJP NA NA +PJ001530 GPNR C17H30N8O6 442.2289 NA PeJP NA NA +C16931 Cinobufagin C26H34O6 442.2355 NA KEGG NA NA +MJ064034 1,2,9-Trihydroxydihydro-?-agarofuran, 9E-Cinnamoyl, 1-Ac C26H34O6 442.235538 NA MeJP NA NA +MJ064035 1,2,9-Trihydroxydihydro-?-agarofuran, 9E-Cinnamoyl, 2-Ac C26H34O6 442.235538 NA MeJP NA NA +MJ064036 1,3,5,14-Tetrahydroxybufa-20,22-dienolide, 1,3,5-Orthoacetate C26H34O6 442.235538 NA MeJP NA NA +MJ064037 1,9-Dihydroxydihydro-?-agarofuran, 9-(2,3-Epoxycinnamoyl), 1-Ac C26H34O6 442.235538 NA MeJP NA NA +MJ064038 12-Hydroxyvilasinin; 12-Ketone C26H34O6 442.235538 NA MeJP NA NA +MJ064039 14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 16-Ac C26H34O6 442.235538 NA MeJP NA NA +MJ064040 4(15)-Eudesmene-1,2,6-triol, 6-Benzoyl, 1,2-di-Ac C26H34O6 442.235538 NA MeJP NA NA +MJ064041 7-O-(3-Hydroxy-7-drimen-11-yl)isofraxidin C26H34O6 442.235538 NA MeJP NA NA +MJ064042 7-O-(3-Hydroxy-8(12)-drimen-11-yl)isofraxidin C26H34O6 442.235538 NA MeJP NA NA +MJ064043 Bufotalin; 3-Ketone C26H34O6 442.235538 NA MeJP NA NA +MJ064044 Creticacoumarin C26H34O6 442.235538 NA MeJP NA NA +MJ064045 Deparnol C26H34O6 442.235538 NA MeJP NA NA +MJ064046 Drimachone C26H34O6 442.235538 NA MeJP NA NA +MJ064047 Farnochrol; 10',11'-Dihydro, 10'-oxo C26H34O6 442.235538 NA MeJP NA NA +MJ064048 Farnochrol; 10',11'-Epoxide C26H34O6 442.235538 NA MeJP NA NA +MJ064049 Karatavicinol; 11'-Ac C26H34O6 442.235538 NA MeJP NA NA +MJ064050 Nimolicinoic acid C26H34O6 442.235538 NA MeJP NA NA +MJ064051 O-(3,8-Dihydroxydriman-11-yl)umbelliferone, 3'-O-Ac C26H34O6 442.235538 NA MeJP NA NA +MJ064052 Secodriol; 3''-Aldehyde C26H34O6 442.235538 NA MeJP NA NA +MJ064053 Strobilurin I; 2''-O-(1,1-Dimethyl-2-propenyl) C26H34O6 442.235538 NA MeJP NA NA +MJ064054 Strobilurin I; 2''-O-(3-Methyl-2-butenyl) C26H34O6 442.235538 NA MeJP NA NA +MJ064055 Strobilurin M C26H34O6 442.235538 NA MeJP NA NA +MJ064056 Tricoccin S22 C26H34O6 442.235538 NA MeJP NA NA +MJ064057 Tripartol C26H34O6 442.235538 NA MeJP NA NA +PJ001531 PVVE C20H34N4O7 442.2428 NA PeJP NA NA +MJ064058 6-Bromo-5,9-tetracosadienoic acid C24H43BrO2 442.244643 NA MeJP NA NA +MJ064059 Aspidospermidine, N1-(?-D-xylo-Hexos-4-uloside) C25H34N2O5 442.246772 NA MeJP NA NA +MJ064060 11-(4-Acetylphenyl)-17,23-epoxy-19,24-dinorchola-4,9,20-trien-3-one C30H34O3 442.250794 NA MeJP NA NA +PJ001532 APQK C19H34N6O6 442.254 NA PeJP NA NA +MJ064061 1,6,10-Farnesatriene-3,9-diol; 9-O-(2-O-Acetyl-?-D-glucopyranoside) C23H38O8 442.256668 NA MeJP NA NA +MJ064062 1,6,10-Farnesatriene-3,9-diol; 9-O-(6-O-Acetyl-?-D-glucopyranoside) C23H38O8 442.256668 NA MeJP NA NA +MJ064063 3,5,6,10,14,16-Grayanotoxanehexol, 14-(2-Hydroxypropanoyl) C23H38O8 442.256668 NA MeJP NA NA +MJ064064 3,5,6,10,14,16-Grayanotoxanehexol, 14-(2S-Hydroxypropanoyl) C23H38O8 442.256668 NA MeJP NA NA +MJ064065 3,5,6,7,10,14,16-Grayanotoxaneheptol, 14-Propanoyl C23H38O8 442.256668 NA MeJP NA NA +MJ064066 3,5,6,7,10,14,16-Grayanotoxaneheptol, 6-Propanoyl C23H38O8 442.256668 NA MeJP NA NA +MJ064067 3,5,6,7,10,14,16-Grayanotoxaneheptol, 7-Propanoyl C23H38O8 442.256668 NA MeJP NA NA +MJ064068 3,7-Dimethyl-1,6-octadien-3-ol, O-[2-O-Acetyl-6-O-(2-methylbutanoyl)-?-D-glucopyranoside] C23H38O8 442.256668 NA MeJP NA NA +MJ064069 3,7-Dimethyl-1,6-octadien-3-ol, O-[2-O-Acetyl-6-O-(3-methylbutanoyl)-?-D-glucopyranoside] C23H38O8 442.256668 NA MeJP NA NA +MJ064070 Leucocidin C23H38O8 442.256668 NA MeJP NA NA +2580 tenecin-1 (35-43) NGKRVCVCRG 442.25845 MH2+ Inhouse_peptide NA peptide +2581 tenecin-1 (34-43) CNGKRVCVCRG 442.25845 MH2+ Inhouse_peptide NA peptide +MJ064071 Dotarizine C29H34N2O2 442.262028 NA MeJP NA NA +MJ064072 12,25-Dihydroxy-15,17-scalaradien-24,25-olide, 12-Ac C27H38O5 442.271924 NA MeJP NA NA +MJ064073 2,12-Dihydroxyspirosta-4,7-dien-3-one C27H38O5 442.271924 NA MeJP NA NA +MJ064074 2,9-Dihydroxy-4,10(14)-oplopadien-3-one, 2,9-Bis(3-Methyl-2E-pentenoyl) C27H38O5 442.271924 NA MeJP NA NA +MJ064075 3,14-Dihydroxy-15-beyeren-19-al; 14-Tigloyl, 3-Ac C27H38O5 442.271924 NA MeJP NA NA +MJ064076 3,6-Dihydroxyspirostan-12-one, Diketone C27H38O5 442.271924 NA MeJP NA NA +MJ064077 3-Hydroxyspirost-5-ene-7,11-dione C27H38O5 442.271924 NA MeJP NA NA +MJ064078 Amentadione C27H38O5 442.271924 NA MeJP NA NA +MJ064079 Amentaepoxide C27H38O5 442.271924 NA MeJP NA NA +MJ064080 Amentol C27H38O5 442.271924 NA MeJP NA NA +MJ064081 Armentaepoxide C27H38O5 442.271924 NA MeJP NA NA +MJ064082 Bifurcarenone C27H38O5 442.271924 NA MeJP NA NA +MJ064083 Comnostin A; 23-Carboxylic acid C27H38O5 442.271924 NA MeJP NA NA +MJ064084 Cyclolinteinol; Ac C27H38O5 442.271924 NA MeJP NA NA +MJ064085 Cystoseirol B C27H38O5 442.271924 NA MeJP NA NA +MJ064086 Cystoseirol D C27H38O5 442.271924 NA MeJP NA NA +PJ001533 PTLL C21H38N4O6 442.2792 NA PeJP NA NA +MJ064087 Alnespirone C26H38N2O4 442.283157 NA MeJP NA NA +MJ064088 Mazipredone C26H38N2O4 442.283157 NA MeJP NA NA +PJ001534 APKK C20H38N6O5 442.2904 NA PeJP NA NA +MJ064089 1,3-Dihydroxy-5,24-withadienolide C28H42O4 442.308309 NA MeJP NA NA +MJ064090 1-(2-Hydroxy-5-methoxy-3-methylphenyl)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraene-5,12-diol C28H42O4 442.308309 NA MeJP NA NA +MJ064091 11-Eremophilene-3,8,9-triol, 9-Ketone, 3-(5-methyl-2,4,6-dodecatrienoyl)(E,E,E-) C28H42O4 442.308309 NA MeJP NA NA +MJ064092 12-Hydroxy-24-methyl-24-oxo-16-scalaren-25-al; 12?-form, Ac C28H42O4 442.308309 NA MeJP NA NA +MJ064093 16,18,20-Trihydroxyergosta-1,4,22-trien-3-one C28H42O4 442.308309 NA MeJP NA NA +MJ064094 17-Hydroxypregn-4-ene-3,20-dione, Heptanoyl C28H42O4 442.308309 NA MeJP NA NA +MJ064095 2,22-Dihydroxy-24,29-dinor-4-friedelene-3,21-dione C28H42O4 442.308309 NA MeJP NA NA +MJ064096 2-(5,12-Dihydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-4-methoxy-6-methylphenol C28H42O4 442.308309 NA MeJP NA NA +MJ064097 21-Hydroxypregn-4-ene-3,20-dione; Heptanoyl C28H42O4 442.308309 NA MeJP NA NA +MJ064098 22,24-Epoxy-7,25-dihydroxyergosta-1,4-dien-3-one C28H42O4 442.308309 NA MeJP NA NA +MJ064099 3,9-Dihydroxy-7(11)-eremophilen-8-one, 3-(5-Methyl-2E,4E,6E-dodecatrienoyl) C28H42O4 442.308309 NA MeJP NA NA +MJ064100 5'-Hydroxy-12'-oxohalidrol C28H42O4 442.308309 NA MeJP NA NA +MJ064101 5,9-Epidioxy-3-hydroxyergosta-7,22-dien-6-one C28H42O4 442.308309 NA MeJP NA NA +MJ064102 Anthosterone A C28H42O4 442.308309 NA MeJP NA NA +MJ064103 Atomaric acid C28H42O4 442.308309 NA MeJP NA NA +MJ064104 Colletochin C28H42O4 442.308309 NA MeJP NA NA +MJ064105 Maesol C28H42O4 442.308309 NA MeJP NA NA +MJ064106 Paxisterol C28H42O4 442.308309 NA MeJP NA NA +MJ064107 Petuniasterone C C28H42O4 442.308309 NA MeJP NA NA +MJ064108 Petuniasterone F C28H42O4 442.308309 NA MeJP NA NA +MJ064109 Striatol C28H42O4 442.308309 NA MeJP NA NA +PJ001535 VVLL C22H42N4O5 442.3155 NA PeJP NA NA +MJ064110 6'-Apo-?-caroten-6'-al C32H42O 442.323565 NA MeJP NA NA +MJ064111 Antibiotic Sch 38511 C24H46N2O5 442.340672 NA MeJP NA NA +MJ064112 Fluvirucin B; Fluvirucin B1 C24H46N2O5 442.340672 NA MeJP NA NA +MJ064113 11-Hydroxystigmast-22-ene-3,6-dione C29H46O3 442.344695 NA MeJP NA NA +MJ064114 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Decanoyl C29H46O3 442.344695 NA MeJP NA NA +MJ064115 17-Hydroxyestr-4-en-3-one; 17?-form, Undecanoyl C29H46O3 442.344695 NA MeJP NA NA +MJ064116 24-Hydroperoxystigmasta-4,28-dien-3-one; 24?-form C29H46O3 442.344695 NA MeJP NA NA +MJ064117 3,11-Dihydroxystigmasta-7,20-dien-6-one C29H46O3 442.344695 NA MeJP NA NA +MJ064118 3,13-Dihydroxy-24-nor-28-lupanoic acid, 28?13 Lactone C29H46O3 442.344695 NA MeJP NA NA +MJ064119 3,18-Dihydroxy-28-nor-12-oleanen-16-one C29H46O3 442.344695 NA MeJP NA NA +MJ064120 5,8-Epidioxy-23-methylergosta-6,22-dien-3-ol C29H46O3 442.344695 NA MeJP NA NA +MJ064121 5,8-Epidioxy-23-norgorgost-6-en-3-ol C29H46O3 442.344695 NA MeJP NA NA +MJ064122 5,8-Epidioxystigmasta-6,22-dien-3-ol C29H46O3 442.344695 NA MeJP NA NA +MJ064123 5,8-Epidioxystigmasta-6,24(28)-dien-3-ol C29H46O3 442.344695 NA MeJP NA NA +MJ064124 Aragusterol E C29H46O3 442.344695 NA MeJP NA NA +MJ064125 Cyclamigenin A2 C29H46O3 442.344695 NA MeJP NA NA +MetaCyc03571 4α-carboxy-4β-methyl-5α-cholesta-8,24-dien-3β-ol [] C29H46O3 442.344695 NA metacyc NA NA +HMDB01181 4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol C29H46O3 442.344696 NA HMDB2010 NA NA +HMDB06927 4a-Methylzymosterol-4-carboxylic acid C29H46O3 442.344696 NA HMDB2010 NA NA +HMDB01181 4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol C29H46O3 442.3447 http://www.hmdb.ca/metabolites/HMDB01181 HMDB NA NA +HMDB02998 Testosterone decanoate C29H46O3 442.3447 http://www.hmdb.ca/metabolites/HMDB02998 HMDB NA NA +HMDB06927 4alpha-Methylzymosterol-4-carboxylate C29H46O3 442.3447 http://www.hmdb.ca/metabolites/HMDB06927 HMDB NA NA +C14607 Testosterone decanoate C29H46O3 442.3447 NA KEGG NA NA +C15808 4alpha-Methylzymosterol-4-carboxylate C29H46O3 442.3447 NA KEGG NA NA +HMDB01181 4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol C29H46O3 442.3447 HMDB01181 PFEM_hmdb_metabocards_official NA NA +HMDB02998 Testosterone decanoate C29H46O3 442.3447 HMDB02998 PFEM_hmdb_metabocards_official NA NA +HMDB06927 4alpha-Methylzymosterol-4-carboxylate C29H46O3 442.3447 HMDB06927 PFEM_hmdb_metabocards_official NA NA +MJ064126 3,20-Diaminopregn-2-en-4-ol, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl) C28H46N2O2 442.355928 NA MeJP NA NA +MJ064127 3,20-Diaminopregn-5-en-2-ol, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl) C28H46N2O2 442.355928 NA MeJP NA NA +MJ064128 3,20-Diaminopregn-5-en-2-ol, N20,N20-Di-Me, N3-tigloyl C28H46N2O2 442.355928 NA MeJP NA NA +MJ064129 3-Aminosolanidan-23-ol, N-Formyl C28H46N2O2 442.355928 NA MeJP NA NA +MJ064130 Buxodienine I; N3,N20-Di-Me, N3-Ac C28H46N2O2 442.355928 NA MeJP NA NA +MJ064131 Cyclovirobuxeine I; N3,N3,N20-Tri-Me, N20-formyl C28H46N2O2 442.355928 NA MeJP NA NA +MJ064132 Solanocapsine; 22,N-Didehydro, Me ether C28H46N2O2 442.355928 NA MeJP NA NA +HMDB01242 Obtusifoliol C30H50O2 442.38107 http://www.hmdb.ca/metabolites/HMDB01242 HMDB NA NA +HMDB02360 Erythrodiol C30H50O2 442.38107 http://www.hmdb.ca/metabolites/HMDB02360 HMDB NA NA +HMDB02391 Uvaol C30H50O2 442.38107 http://www.hmdb.ca/metabolites/HMDB02391 HMDB NA NA +HMDB01242 Obtusifoliol C30H50O2 442.38107 HMDB01242 PFEM_hmdb_metabocards_official NA NA +HMDB02360 Erythrodiol C30H50O2 442.38107 HMDB02360 PFEM_hmdb_metabocards_official NA NA +HMDB02391 Uvaol C30H50O2 442.38107 HMDB02391 PFEM_hmdb_metabocards_official NA NA +HMDB01242 Obtusifoliol C30H50O2 442.381073 NA HMDB2010 NA NA +HMDB02360 Erythrodiol C30H50O2 442.381073 NA HMDB2010 NA NA +HMDB02391 Uvaol C30H50O2 442.381073 NA HMDB2010 NA NA +HMDB12159 4,4-Dimethyl-14alpha-formyl-5alpha-cholesta-8-en-3beta-ol C30H50O2 442.381073 NA HMDB2010 NA NA +MJ064133 1-Hydroxyeuph-25-en-3-one C30H50O2 442.38108 NA MeJP NA NA +MJ064134 12-Gammacerene-3,21-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064135 12-Lupene-3,27-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064136 12-Neohopene-2,3-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064137 12-Oleanene-1,3-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064138 12-Oleanene-2,3-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064139 12-Oleanene-3,11-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064140 12-Oleanene-3,15-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064141 12-Oleanene-3,16-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064142 12-Oleanene-3,22-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064143 12-Oleanene-3,24-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064144 12-Oleanene-3,27-diol; 3?-form C30H50O2 442.38108 NA MeJP NA NA +MJ064145 12-Oleanene-3,28-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064146 12-Oleanene-3,29-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064147 12-Oleanene-3,6-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064148 12-Ursene-2,3-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064149 12-Ursene-3,11-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064150 12-Ursene-3,16-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064151 12-Ursene-3,24-diol; 3?-form C30H50O2 442.38108 NA MeJP NA NA +MJ064152 12-Ursene-3,27-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064153 12-Ursene-3,28-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064154 12-Ursene-3,29-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064155 12-Ursene-3,30-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064156 13(18)-Neohopene-3,24-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064157 13(18)-Oleanene-2,3-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064158 13(18)-Oleanene-3,11-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064159 13(18)-Oleanene-3,16-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064160 13(18)-Oleanene-3,22-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064161 13,17,21-Polypodatriene-3,8-diol, 3-Ketone C30H50O2 442.38108 NA MeJP NA NA +MJ064162 14-Hydroxy-3-taraxeranone; 14?-form C30H50O2 442.38108 NA MeJP NA NA +MJ064163 14-Serratene-3,21-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064164 14-Taraxerene-3,16-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064165 14-Taraxerene-3,24-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064166 14-Taraxerene-3,28-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064167 14-Taraxerene-3,29-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064168 14-Taraxerene-3,7-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064169 15,18,21,24,27-Triacontapentaenoic acid C30H50O2 442.38108 NA MeJP NA NA +MJ064170 15-Hydroxy-3-friedelanone; 15?-form C30H50O2 442.38108 NA MeJP NA NA +MJ064171 16,21-Pachysanadiene-3,28-diol, 21,22-Dihydro C30H50O2 442.38108 NA MeJP NA NA +MJ064172 17(21)-Hopen-3-ol, 17?,21?-Epoxide C30H50O2 442.38108 NA MeJP NA NA +MJ064173 18-Oleanene-1,3-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064174 18-Oleanene-2,3-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064175 18-Oleanene-3,11-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064176 18-Oleanene-3,16-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064177 18-Oleanene-3,28-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064178 19,28-Epoxy-3-oleananol C30H50O2 442.38108 NA MeJP NA NA +MJ064179 2,3-Friedelanediol, 3-Ketone C30H50O2 442.38108 NA MeJP NA NA +MJ064180 2,3-Friedelanediol; 3?-form, 2-Ketone C30H50O2 442.38108 NA MeJP NA NA +MJ064181 2,6,10,15,19,23-Hexamethyl-2,10,14,22-tetracosatetraene-7,18-dione C30H50O2 442.38108 NA MeJP NA NA +MJ064182 2-Hydroxy-2,3-seco-3-friedelanoic acid; Lactone C30H50O2 442.38108 NA MeJP NA NA +MJ064183 20(29)-Lupen-3-ol, 20?,29-Epoxide C30H50O2 442.38108 NA MeJP NA NA +MJ064184 20(29)-Lupene-1,3-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064185 20(29)-Lupene-2,3-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064186 20(29)-Lupene-3,11-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064187 20(29)-Lupene-3,15-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064188 20(29)-Lupene-3,16-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064189 20(29)-Lupene-3,23-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064190 20(29)-Lupene-3,24-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064191 20(29)-Lupene-3,27-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064192 20(29)-Lupene-3,28-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064193 20(29)-Lupene-3,6-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064194 20(29)-Lupene-3,7-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064195 20(30)-Lupene-3,29-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064196 20(30)-Taraxastene-3,16-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064197 20(30)-Taraxastene-3,21-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064198 20,24-Epoxy-25-dammaren-3-ol C30H50O2 442.38108 NA MeJP NA NA +MJ064199 20-Hydroxydammar-24-en-3-one C30H50O2 442.38108 NA MeJP NA NA +MJ064200 20-Taraxasten-3-ol, 20?,21?-Epoxide C30H50O2 442.38108 NA MeJP NA NA +MJ064201 20-Taraxastene-3,16-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064202 20-Taraxastene-3,22-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064203 20-Taraxastene-3,28-diol; 3?-form C30H50O2 442.38108 NA MeJP NA NA +MJ064204 20-Taraxastene-3,6-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064205 21,26-Dihydroxy-3-friedelanone; 21?-form, 21-Deoxy C30H50O2 442.38108 NA MeJP NA NA +MJ064206 22(30)-Hopene-3,29-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064207 22,28-Epoxyhopan-29-ol C30H50O2 442.38108 NA MeJP NA NA +MJ064208 22-Methyl-29-norcycloart-20-ene-2,3-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064209 24,25-Epoxycycloartan-3-ol C30H50O2 442.38108 NA MeJP NA NA +MJ064210 24-Isopropenylcholest-7-ene-3,6-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064211 24-Isopropylcholesta-5,22-diene-3,7-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064212 25-Hydroxy-3-friedelanone C30H50O2 442.38108 NA MeJP NA NA +MJ064213 25-Hydroxydammar-20(22)-en-3-one; 20(22)Z-form C30H50O2 442.38108 NA MeJP NA NA +MJ064214 28,29-Cyclo-20,28-hopanediol C30H50O2 442.38108 NA MeJP NA NA +MJ064215 29-Hopanol, 29-Carboxylic acid C30H50O2 442.38108 NA MeJP NA NA +MJ064216 3,16-Friedelanediol, 3-Ketone C30H50O2 442.38108 NA MeJP NA NA +MJ064217 3,20-Taraxastanediol, 20-Epimer, 3-ketone C30H50O2 442.38108 NA MeJP NA NA +MJ064218 3,21-Friedelanediol, 3-Ketone C30H50O2 442.38108 NA MeJP NA NA +MJ064219 3,21-Gammaceranediol, 21-Ketone C30H50O2 442.38108 NA MeJP NA NA +MJ064220 3,22-Hopanediol, 3-Ketone C30H50O2 442.38108 NA MeJP NA NA +MJ064221 3,22-Stictanediol, 3-Ketone C30H50O2 442.38108 NA MeJP NA NA +MJ064222 3,28-Friedelanediol; 3?-form, 3-Ketone C30H50O2 442.38108 NA MeJP NA NA +MJ064223 3,29-Friedelanediol, 3-Ketone C30H50O2 442.38108 NA MeJP NA NA +MJ064224 3,30-Friedelanediol; 3?-form, 3-Ketone C30H50O2 442.38108 NA MeJP NA NA +MJ064225 3,30-Friedelanediol; 3?-form, 30-Aldehyde C30H50O2 442.38108 NA MeJP NA NA +MJ064226 3,4-Seco-14-taraxeren-3-oic acid C30H50O2 442.38108 NA MeJP NA NA +MJ064227 3,4-Seco-4(23)-friedelen-3-oic acid C30H50O2 442.38108 NA MeJP NA NA +MJ064228 3,4-Seco-4(23)-stictene-3,22-diol; 22?-form, 3-Aldehyde C30H50O2 442.38108 NA MeJP NA NA +MJ064229 3,7-Friedelanediol, 7-Ketone C30H50O2 442.38108 NA MeJP NA NA +MJ064230 3-Hydroxy-27-friedelanal C30H50O2 442.38108 NA MeJP NA NA +MJ064231 3-Hydroxycycloartan-24-one C30H50O2 442.38108 NA MeJP NA NA +MJ064232 3-Hydroxylanost-8-en-7-one C30H50O2 442.38108 NA MeJP NA NA +MJ064233 4-Hydroxy-21-shionen-3-one C30H50O2 442.38108 NA MeJP NA NA +MJ064234 4-Methylenestigmast-8(14)-ene-3,7-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064235 5-Adianene-2,3-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064236 5-Adianene-3,29-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064237 5-Glutinene-3,28-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064238 5-Glutinene-3,29-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064239 6,22-Hopanediol; 6?-form, 6-Ketone C30H50O2 442.38108 NA MeJP NA NA +MJ064240 6-Hydroxy-3-friedelanone C30H50O2 442.38108 NA MeJP NA NA +MJ064241 7,23-Tirucalladiene-3,25-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064242 7-Baurene-3,16-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064243 7-Fernen-25-ol; 7?,8?-Epoxide C30H50O2 442.38108 NA MeJP NA NA +MJ064244 7-Fernene-2,3-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064245 8(26),14(27)-Onoceradiene-3,21-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064246 8-Multiflorene-3,29-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064247 9(11)-Arborinene-3,28-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064248 9(11)-Fernene-2,3-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064249 9(11)-Fernene-3,12-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064250 Calaminthadiol C30H50O2 442.38108 NA MeJP NA NA +MJ064251 Canaric acid; 4,23-Dihydro C30H50O2 442.38108 NA MeJP NA NA +MJ064252 Cycloart-20-ene-3,25-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064253 Cycloart-22-ene-3,25-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064254 Cycloart-23-ene-16,25-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064255 Cycloart-23-ene-3,25-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064256 Cycloart-24-ene-3,16-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064257 Cycloart-24-ene-3,21-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064258 Cycloart-24-ene-3,22-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064259 Cycloart-24-ene-3,26-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064260 Cycloart-24-ene-3,28-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064261 Cycloart-25-ene-3,22-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064262 Cycloart-25-ene-3,24-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064263 Cycloart-5-ene-3,25-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064264 Dammara-20(22),24-diene-3,12-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064265 Dammara-20,23-diene-3,25-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064266 Dammara-20,24-dien-3-ol, 24,25-Epoxy C30H50O2 442.38108 NA MeJP NA NA +MJ064267 Dammara-20,25-diene-3,24-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064268 Ergost-5-en-3-ol, Ac C30H50O2 442.38108 NA MeJP NA NA +MJ064269 Eupha-7,24-diene-1,3-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064270 Eupha-7,24-diene-3,22-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064271 Eupha-7,24-diene-3,26-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064272 Eupha-8,23-diene-3,25-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064273 Eupha-8,25-diene-3,24-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064274 Gorgost-5-ene-3,11-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064275 Iridogermanal; 10,21-Dideoxy C30H50O2 442.38108 NA MeJP NA NA +MJ064276 Isocalaminthadiol C30H50O2 442.38108 NA MeJP NA NA +MJ064277 Lanosta-8,24-diene-3,21-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064278 Lanosta-8,24-diene-3,22-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064279 Lanosta-8,24-diene-3,23-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064280 Lanosta-9(11),25-diene-3,24-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064281 Nyctanthic acid; 4,23-Dihydro C30H50O2 442.38108 NA MeJP NA NA +MJ064282 Opigenin C30H50O2 442.38108 NA MeJP NA NA +MJ064283 Protosta-17(20),24-diene-3,29-diol C30H50O2 442.38108 NA MeJP NA NA +MJ064284 Reissantenol oxide C30H50O2 442.38108 NA MeJP NA NA +MJ064285 Roburic acid; 4,23-Dihydro C30H50O2 442.38108 NA MeJP NA NA +MJ064286 Tamarixol C30H50O2 442.38108 NA MeJP NA NA +MJ064287 Tirucalla-7,24-diene-3,23-diol C30H50O2 442.38108 NA MeJP NA NA +MetaCyc03572 4,4-dimethyl-14α-hydroxymethyl-5α-cholesta-8,24-dien-3β-ol [] C30H50O2 442.381081 NA metacyc NA NA +MetaCyc03573 sophoradiol [] C30H50O2 442.381081 NA metacyc NA NA +MetaCyc03574 olean-12-ene-3β,24-diol [] C30H50O2 442.381081 NA metacyc NA NA +C08618 Betulin C30H50O2 442.3811 NA KEGG NA NA +C08622 Dipterocarpol C30H50O2 442.3811 NA KEGG NA NA +C15274 Allobetulinol C30H50O2 442.3811 NA KEGG NA NA +MJ064288 Buxus Alkaloid D C29H50N2O 442.392314 NA MeJP NA NA +MJ064289 Cycloprotobuxine I; N3,N20,N20-Tri-Me, N3-Ac C29H50N2O 442.392314 NA MeJP NA NA +MJ064290 Cyclovirobuxine I; N3-Isopropylidene, N20,N20-di-Me C29H50N2O 442.392314 NA MeJP NA NA +MJ064291 Pregnane-3,20-diamine, N3,N20,N20-Tri-Me, N3-(3-methyl-2-butenoyl) C29H50N2O 442.392314 NA MeJP NA NA +MJ064292 Glycerol 1-alkanoates; Glycerol 1-tetracosanoate C27H54O4 442.40221 NA MeJP NA NA +HMDB11558 MG(0:0/24:0/0:0) C27H54O4 442.402222 NA HMDB2010 NA NA +HMDB11588 MG(24:0/0:0/0:0) C27H54O4 442.402222 NA HMDB2010 NA NA +MJ064293 17-Methyl-3-hopanol C31H54O 442.417466 NA MeJP NA NA +MJ064294 2-Methyl-22-hopanol C31H54O 442.417466 NA MeJP NA NA +MJ064295 2-Methyl-5,10,16,22,27-triacontapentaen-15-ol C31H54O 442.417466 NA MeJP NA NA +MJ064296 24-Ethyl-29-norlanost-9(11)-en-3-ol C31H54O 442.417466 NA MeJP NA NA +MJ064297 26,26-Dimethylstigmast-25(27)-en-3-ol C31H54O 442.417466 NA MeJP NA NA +MJ064298 3-Friedelanol; 3?-form, Me ether C31H54O 442.417466 NA MeJP NA NA +MJ064299 3-Methyl-22-hopanol C31H54O 442.417466 NA MeJP NA NA +MJ064300 3-Methyl-29-hopanol C31H54O 442.417466 NA MeJP NA NA +MJ064301 4-Methylgorgostan-3-ol C31H54O 442.417466 NA MeJP NA NA +MJ064302 Cyclonervilol; 22,23-Dihydro C31H54O 442.417466 NA MeJP NA NA +MJ064303 Cycloswietenol C31H54O 442.417466 NA MeJP NA NA +MJ064304 Tetrahymanol C31H54O 442.417466 NA MeJP NA NA +MJ064305 4-Methyl-3,9,11-hexacosanetriol; 3-Me ether C28H58O3 442.438595 NA MeJP NA NA +3479 adrenorphin YGGFMRR 442.7077 MH2+ Inhouse_peptide NA peptide +MJ064306 2,3,5,6-Tetrabromo-1H-indole; N-Me C9H5Br4N 442.715549 NA MeJP NA NA +MJ064307 4,6-Dibromo-2,3-bis(methylthio)-1H-indole; 5-Bromo C10H8Br3NS2 442.764828 NA MeJP NA NA +MJ064308 Convolutamine A; N-De-Me C12H16Br3NO2 442.873116 NA MeJP NA NA +C13743 Adenosine 5-O-(3-thiodiphophate) C10H15N5O9P2S 443.0066 NA KEGG NA NA +MJ064309 Sulazuril C17H15Cl2N3O5S 443.010946 NA MeJP NA NA +C08069 Econazole nitrate C18H15Cl3N2O 443.0206 NA KEGG NA NA +MJ064310 Alternatamide B; 2-Debromo C17H23Br2N3O 443.020787 NA MeJP NA NA +MJ064311 Alternatamide B; 6-Debromo C17H23Br2N3O 443.020787 NA MeJP NA NA +C00035 GDP C10H15N5O11P2 443.0243 NA KEGG NA NA +HMDB01201 GDP C10H15N5O11P2 443.02432 http://www.hmdb.ca/metabolites/HMDB01201 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01201 GDP C10H15N5O11P2 443.02432 http://www.hmdb.ca/metabolites/HMDB01201 HMDB NA NA +HMDB01201 GDP C10H15N5O11P2 443.02432 http://www.hmdb.ca/metabolites/HMDB01201 PFEM_hmdb_metabocards_blood NA blood +HMDB01201 GDP C10H15N5O11P2 443.02432 HMDB01201 PFEM_hmdb_metabocards_official NA NA +HMDB01201 Guanosine diphosphate C10H15N5O11P2 443.024323 NA HMDB2010 NA NA +MJ064312 Guanosine 5'-diphosphate C10H15N5O11P2 443.024329 NA MeJP NA NA +MJ064313 GDP C10H15N5O11P2 443.024329 NA MeJP NA NA +MetaCyc03575 GDP [ppG;guanosine-5'-diphosphate;guanosine-diphosphate;] C10H15N5O11P2 443.024329 146-91-8 metacyc NA NA +MJ064314 Trantelinium(1+); Bromide C23H26BrNO3 443.109606 NA MeJP NA NA +MJ064315 Fumoxicillin C21H21N3O6S 443.115106 NA MeJP NA NA +MJ064316 Clofluperol C22H22ClF4NO2 443.127519 NA MeJP NA NA +MJ064317 4-[[[1-(4-Fluorophenyl)-3-(1-methylethyl)-1H-indol-2-yl]ethynyl]hydroxyphosphinyl]-3-hydroxybutanoic acid C23H23FNO5P 443.129787 NA MeJP NA NA +MJ064318 Flutizenol C20H24F3N3OS2 443.131288 NA MeJP NA NA +MJ064319 Oxyphenisatin; O,O,N-Tri-Ac C26H21NO6 443.136887 NA MeJP NA NA +MJ064320 2-Hydroxy-2-(3-hydroxyphenyl)acetic acid, Nitrile, 2-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C19H25NO11 443.14276 NA MeJP NA NA +MJ064321 Flumeridone C22H23ClFN5O2 443.15243 NA MeJP NA NA +PJ001536 MMY C19H29N3O5S2 443.1549 NA PeJP NA NA +C00415 Dihydrofolate C19H21N7O6 443.1553 NA KEGG NA NA +C00416 Phosphatidate C5H7O8PR2 443.1553 NA KEGG NA NA +HMDB01056 Dihydrofolic acid C19H21N7O6 443.15533 http://www.hmdb.ca/metabolites/HMDB01056 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01056 Dihydrofolic acid C19H21N7O6 443.15533 http://www.hmdb.ca/metabolites/HMDB01056 HMDB NA NA +HMDB01056 Dihydrofolic acid C19H21N7O6 443.15533 http://www.hmdb.ca/metabolites/HMDB01056 PFEM_hmdb_metabocards_blood NA blood +HMDB01056 Dihydrofolic acid C19H21N7O6 443.15533 HMDB01056 PFEM_hmdb_metabocards_official NA NA +MJ064322 Dihydrofolate C19H21N7O6 443.155331 NA MeJP NA NA +MJ064323 7,8-Dihydrofolic acid C19H21N7O6 443.155331 NA MeJP NA NA +MetaCyc03576 7,8-dihydrofolate [H2PteGlu;FH2;H2PteGlu1;dihydrofolate;DHF;7,8-dihydropteroylglutamate;] C19H21N7O6 443.155331 4033-27-6 metacyc NA NA +HMDB01056 Dihydrofolic acid C19H21N7O6 443.155334 NA HMDB2010 NA NA +MJ064324 2-Acetyl-2-decarboxamidotetracycline C23H25NO8 443.158016 NA MeJP NA NA +MJ064325 Colchifoline; O2-De-Me, O2-Ac C23H25NO8 443.158016 NA MeJP NA NA +PJ001537 GCQH C16H25N7O6S 443.1587 NA PeJP NA NA +MJ064326 Eurypamide B C22H25N3O7 443.16925 NA MeJP NA NA +PJ001538 DFY C22H25N3O7 443.1693 NA PeJP NA NA +CJneg0599 Phe Tyr Asp (and isomers) [(M-H)]- C22H24N3O7 443.169825 C18rt(min)=5.85 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0599 Phe Tyr Asp (and isomers) [(M-H)]- C22H24N3O7 443.169825 C18rt(min)=5.85 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ064327 Tiotixene C23H29N3O2S2 443.170118 NA MeJP NA NA +MJ064328 Gougerotin C16H25N7O8 443.17646 NA MeJP NA NA +MJ064329 Ningnanmycin C16H25N7O8 443.17646 NA MeJP NA NA +PJ001539 SSNH C16H25N7O8 443.1765 NA PeJP NA NA +MJ064330 Lometrexol C21H25N5O6 443.180483 NA MeJP NA NA +MJ064331 Pyroglutamylglutaminyltryptophan C21H25N5O6 443.180483 NA MeJP NA NA +PJ001540 PPCQ C18H29N5O6S 443.1839 NA PeJP NA NA +PJ001541 MFF C23H29N3O4S 443.1879 NA PeJP NA NA +7942 synthetic peptide YYV 443.194 antioxidative Inhouse_peptide NA peptide +7956 synthetic peptide VYY 443.194 antioxidative Inhouse_peptide NA peptide +7960 synthetic peptide YVY 443.194 antioxidative Inhouse_peptide NA peptide +MJ064332 Cohrisitine C24H29NO7 443.194402 NA MeJP NA NA +MJ064333 Demecolcine, N-Ethoxycarbonyl C24H29NO7 443.194402 NA MeJP NA NA +MJ064334 Nuciferine, O2-De-Me, O-?-D-glucopyranoside C24H29NO7 443.194402 NA MeJP NA NA +PJ001542 GCKH C17H29N7O5S 443.1951 NA PeJP NA NA +PJ001543 APQE C18H29N5O8 443.2016 NA PeJP NA NA +C02203 Z-Tyr-Leu-NHOH C23H29N3O6 443.2056 NA KEGG NA NA +PJ001544 VYY C23H29N3O6 443.2056 NA PeJP NA NA +MJ064335 Bephenium(1+); 3-Hydroxy-2-naphthoate salt (1:1) C28H29NO4 443.209658 NA MeJP NA NA +PJ001545 GPDR C17H29N7O7 443.2129 NA PeJP NA NA +MJ064336 Pyroglutamyllysyltryptophan C22H29N5O5 443.216869 NA MeJP NA NA +PJ001546 AAPW C22H29N5O5 443.2169 NA PeJP NA NA +PJ001547 PPCK C19H33N5O5S 443.2203 NA PeJP NA NA +MJ064337 Fructigenine A C27H29N3O3 443.220891 NA MeJP NA NA +2869 opioid peptide YPFPGPIP 443.222 MH2+ Inhouse_peptide NA peptide +7501 ACE inhibitor from b-CN (60-66) YPFPGPIP 443.222 MH2+ Inhouse_peptide NA peptide +3984 NA GMNRSPIL 443.22865 MH2+ Inhouse_peptide NA peptide +C12177 Proansamitocin C25H33NO6 443.2308 NA KEGG NA NA +PJ001548 APKE C19H33N5O7 443.238 NA PeJP NA NA +8292 ACE inhibitor QLGFLGPR 443.2445 MH2+ Inhouse_peptide NA peptide +PJ001549 APTR C18H33N7O6 443.2493 NA PeJP NA NA +MJ064338 Ajaconine; 15-Epimer, di-Ac C26H37NO5 443.267173 NA MeJP NA NA +MJ064339 Lucidusculine; O12-Ac C26H37NO5 443.267173 NA MeJP NA NA +MJ064340 Nakijiquinone B C26H37NO5 443.267173 NA MeJP NA NA +MJ064341 Spiramine Z C26H37NO5 443.267173 NA MeJP NA NA +MJ064342 Stachybotrin; 7-Me ether C26H37NO5 443.267173 NA MeJP NA NA +PJ001550 SPLK C20H37N5O6 443.2744 NA PeJP NA NA +PJ001551 GVLR C19H37N7O5 443.2856 NA PeJP NA NA +PJ001552 LRR C18H37N9O4 443.2969 NA PeJP NA NA +MJ064343 Daphnimacrine C27H41NO4 443.303558 NA MeJP NA NA +MJ064344 Edpetine C27H41NO4 443.303558 NA MeJP NA NA +MJ064345 Jervine; 1?-Hydroxy, 5?,6-dihydro C27H41NO4 443.303558 NA MeJP NA NA +MJ064346 Piericidin; Piericidin A2, 10'-Me ether C27H41NO4 443.303558 NA MeJP NA NA +MJ064347 Piericidin; Piericidin A3 C27H41NO4 443.303558 NA MeJP NA NA +MJ064348 Piericidin; Piericidin A5, 10'-Me ether C27H41NO4 443.303558 NA MeJP NA NA +MJ064349 Veratrenone C27H41NO4 443.303558 NA MeJP NA NA +MJ064350 Yibeissine C27H41NO4 443.303558 NA MeJP NA NA +PJ001553 ALLK C21H41N5O5 443.3108 NA PeJP NA NA +HMDB13154 12-Hydroxy-12-octadecanoylcarnitine C25H49NO5 443.361084 NA HMDB2010 NA NA +MJ064351 Methyl 3-(tricosadienyl)-1H-pyrrole-2-carboxylate C29H49NO2 443.376329 NA MeJP NA NA +MJ064352 Homohexamine; N10-(4-Aminobutyl) C24H57N7 443.467544 NA MeJP NA NA +MJ064353 Homohexamine; N5-(4-Aminobutyl) C24H57N7 443.467544 NA MeJP NA NA +MJ064354 Homopentamine; N5,N10-Bis(4-aminobutyl) C24H57N7 443.467544 NA MeJP NA NA +MJ064355 Homopentamine; N5,N15-Bis(4-aminobutyl) C24H57N7 443.467544 NA MeJP NA NA +MJ064356 4-Bromo-5-(dibromomethylene)-3-(1-hydroxybutyl)-2(5H)-furanone, Ac C11H11Br3O4 443.820746 NA MeJP NA NA +MJ064357 Neoarsphenamine C13H14As2N2O4S 443.91062 NA MeJP NA NA +MJ064358 Trimedoxime(2+); Dibromide C15H18Br2N4O2 443.979651 NA MeJP NA NA +C16616 6-Mercaptopurine ribonucleoside 5'-diphosphate C10H14N4O10P2S 443.9906 NA KEGG NA NA +MJ064359 Tris(3-hydroxy-2-methyl-4H-pyran-4-onato-O3,O4)gallium(III) C18H15GaO9 443.997187 NA MeJP NA NA +C01337 XDP C10H14N4O12P2 444.0083 NA KEGG NA NA +C13962 Chloramphenicol sodium succinate C15H15Cl2N2O8 444.0103 NA KEGG NA NA +MJ064360 5',5''-Methylenebis[5-(3-buten-1-ynyl)-2,2'-bithiophene] C25H16S4 444.013483 NA MeJP NA NA +MJ064361 Fringelite F; 3,4-Dideoxy C28H12O6 444.063388 NA MeJP NA NA +MJ064362 Constictic acid; ?-Ac C21H16O11 444.069261 NA MeJP NA NA +MJ064363 Tetracenomycin C; 3,8-Di-O-de-Me C21H16O11 444.069261 NA MeJP NA NA +MJ064364 Xanthoviridicatin G C25H16O8 444.084517 NA MeJP NA NA +MJ064365 Sirodesmin A; 1-Epimer, O-de-Ac C18H24N2O7S2 444.102492 NA MeJP NA NA +MJ064366 Sirodesmin A; O-De-Ac C18H24N2O7S2 444.102492 NA MeJP NA NA +MJ064367 Bulgecin C C14H24N2O12S 444.104994 NA MeJP NA NA +C06799 Granaticin C22H20O10 444.1056 NA KEGG NA NA +FL3FADCS0018 3'-O-Methylderhamnosylmaysin C22H20O10 444.10564 - knapsack NA NA +FLIA1CGS0001 Pseudobaptigenin 7-O-glucoside;Rothindin C22H20O10 444.10564 63347-43-3 knapsack NA NA +MJ064368 2',5,6,7-Tetrahydroxyisoflavone; 6,7-Methylene, 5-Me ether, 2'-O-?-D-xylopyranoside C22H20O10 444.105646 NA MeJP NA NA +MJ064369 7-Hydroxy-3',4'-methylenedioxyisoflavone; O-?-D-Glucopyranoside C22H20O10 444.105646 NA MeJP NA NA +MJ064370 Granaticin A C22H20O10 444.105646 NA MeJP NA NA +MJ064371 Griseusin B, 4-Hydroxy, lactone C22H20O10 444.105646 NA MeJP NA NA +MJ064372 Salazinic acid; 1',1''-Di-Et ether C22H20O10 444.105646 NA MeJP NA NA +MJ064373 Versiconol; 3',4'-Di-Ac C22H20O10 444.105646 NA MeJP NA NA +MJ064374 Sermetacin C22H21ClN2O6 444.108814 NA MeJP NA NA +PJ001554 GCCY C17H24N4O6S2 444.1137 NA PeJP NA NA +FL3FRNNP0003 Artomunoxanthentrione;6-Hydroxy-11-methoxy-3,3-dimethyl-9-(1-methylethenyl)-3H,7H-benzo[c]pyrano[3,2-h]xanthene-7,10,13-trione C26H20O7 444.1209 139921-73-6 knapsack NA NA +MJ064375 Imbricatonol C26H20O7 444.120902 NA MeJP NA NA +MJ064376 Khellactone, 9-O-(3-Methylthio-2-propenoyl), 10-angeloyl C23H24O7S 444.124273 NA MeJP NA NA +MJ064377 Khellactone, 10-O-(3-Methylthio-2-propenoyl), 9-angeloyl C23H24O7S 444.124273 NA MeJP NA NA +MJ064378 Scandoside; 6-Epimer, 10-Ac, Me ester C19H24O12 444.126776 NA MeJP NA NA +MJ064379 Luprostiol C21H29ClO6S 444.137337 NA MeJP NA NA +MetaCyc03577 desacetylmycothiol [1-D-myo-inosityl-2-(L-cysteinyl)amido-2-deoxy-α-D-glucopyranoside;Cys-GlcN-Ins;] C15H28N2O11S1 444.14138 NA metacyc NA NA +FL3FBBCS0001 7-Hydroxy-5,4'-dimethoxyflavone 8-C-rhamnoside;8-(6-Deoxy-alpha-L-mannopyranosyl)-7-hydroxy-5-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C23H24O9 444.14203 106132-79-0 knapsack NA NA +FL5FGANI0001 Pratensin B C23H24O9 444.14203 142609-01-6 knapsack NA NA +FL5FGANI0002 5,7,8-Trihydroxy-3,6,4'-trimethoxy-flavone 8-isovalerate C23H24O9 444.14203 142609-03-8 knapsack NA NA +FLIACBCS0001 Isovolubilin C23H24O9 444.14203 56317-19-2 knapsack NA NA +FLIACBCS0002 Volubilin C23H24O9 444.14203 56312-87-9 knapsack NA NA +MJ064380 1,2-Dicoumaroylglycerol, 3',3''-Dimethoxy C23H24O9 444.142032 NA MeJP NA NA +MJ064381 1,3-Dicoumaroylglycerol, 3',3''-Dimethoxy C23H24O9 444.142032 NA MeJP NA NA +MJ064382 1,5-Bis(3,4-dihydroxyphenyl)-1-penten-4-yne; 4'-O-?-D-Glucopyranoside C23H24O9 444.142032 NA MeJP NA NA +MJ064383 3,4',5,6,7,8-Hexahydroxyflavone; 3,6,7-Tri-Me ether, 8-O-(2-methylbutanoyl) C23H24O9 444.142032 NA MeJP NA NA +MJ064384 3-Methoxypodophyllotoxin C23H24O9 444.142032 NA MeJP NA NA +MJ064385 4',5,7-Trihydroxy-8-rhamnopyranosylflavone; 4',5-Di-Me ether C23H24O9 444.142032 NA MeJP NA NA +MJ064386 4-[2-(4-Hydroxyphenyl)ethyl]-2-benzofurancarboxylic acid; ?-D-Glucopyranosyl ester C23H24O9 444.142032 NA MeJP NA NA +MJ064387 7-Hydroxy-3',4',5',6-tetramethoxy-4,5-methylenedioxy-2,7'-cyclolignan-9',9-olide C23H24O9 444.142032 NA MeJP NA NA +MJ064388 Heliobuphthalmin; 5-Methoxy C23H24O9 444.142032 NA MeJP NA NA +MJ064389 Isovolubilin C23H24O9 444.142032 NA MeJP NA NA +MJ064390 Volubilin C23H24O9 444.142032 NA MeJP NA NA +PJ001555 GCEH C16H24N6O7S 444.1427 NA PeJP NA NA +MJ064391 ?-D-Galactopyranosyl-(1?3)-?-L-arabinofuranosyl-(1?3)-L-arabinose C16H28O14 444.147905 NA MeJP NA NA +MJ064392 D-Galactopyranosyl-(1?4)-D-xylopyranosyl-(1?2)-L-arabinose C16H28O14 444.147905 NA MeJP NA NA +MJ064393 ?-D-Xylopyranosyl-(1?4)-?-D-xylopyranosyl-(1?6)-D-glucose C16H28O14 444.147905 NA MeJP NA NA +MJ064394 Halometasone C22H27ClF2O5 444.151508 NA MeJP NA NA +MJ064395 Iocanlidic acid C21H33IO2 444.152523 NA MeJP NA NA +MJ064396 6-Deoxy-5-hydroxytetracycline C22H24N2O8 444.153265 NA MeJP NA NA +MJ064397 Tetracycline C22H24N2O8 444.153265 NA MeJP NA NA +C06570 Tetracycline C22H24N2O8 444.1533 NA KEGG NA NA +C06973 Doxycycline C22H24N2O8 444.1533 NA KEGG NA NA +C06974 Transferred to D00308 C22H24N2O8 444.1533 NA KEGG NA NA +MJ064398 15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2-Ethoxy-3-hydroxy-2-methylpropanoyl) C21H29ClO8 444.155095 NA MeJP NA NA +PJ001556 CHW C20H24N6O4S 444.158 NA PeJP NA NA +C07815 Fluticasone C22H27F3O4S 444.1582 NA KEGG NA NA +MJ064399 Fluticasone C22H27F3O4S 444.158214 NA MeJP NA NA +MJ064400 Yunnanmycin C16H24N6O9 444.160476 NA MeJP NA NA +PJ001557 SSDH C16H24N6O9 444.1605 NA PeJP NA NA +CJpos0792 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)]+ C20H29O11 444.162575 C18rt(min)=8.68 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0792 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)]+ C20H29O11 444.162575 C18rt(min)=8.68 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ064401 4'-Hydroxyacetophenone; O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C20H28O11 444.163161 NA MeJP NA NA +MJ064402 Antirrhinoside; 6-O-(3-Methyl-2-butenoyl) C20H28O11 444.163161 NA MeJP NA NA +MJ064403 Antirrhinoside; 6-O-Angeloyl C20H28O11 444.163161 NA MeJP NA NA +CJneg0600 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M-H)]- C20H27O11 444.163725 C18rt(min)=8.68 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0600 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M-H)]- C20H27O11 444.163725 C18rt(min)=8.68 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +PJ001558 PPCE C18H28N4O7S 444.1679 NA PeJP NA NA +MJ064404 Asterriquinol D; 2',3'-Dihydro, 2'-oxo, di-Me ether C26H24N2O5 444.168521 NA MeJP NA NA +MJ064405 Petromurin C C26H24N2O5 444.168521 NA MeJP NA NA +C16807 Difenacoum C31H24O3 444.1725 NA KEGG NA NA +CJneg0601 Phe Tyr Asp (and isomers) [(M-H)]- (13C) C2113CH24N3O7 444.173125 C18rt(min)=5.85 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0601 Phe Tyr Asp (and isomers) [(M-H)]- (13C) C2113CH24N3O7 444.173125 C18rt(min)=5.85 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ064406 2'-Angeloyl-9-isovaleryloxy-8,9-dihydrooroselol C24H28O8 444.178417 NA MeJP NA NA +MJ064407 3,3',4,4',8-Pentahydroxylignan-9,9'-olide, 3,3',4,4'-Tetra-Me ether, 8-Ac C24H28O8 444.178417 NA MeJP NA NA +MJ064408 3,3',4,4',9,9'-Hexahydroxylignan, 3',4'-Methylene, 3-Me ether, 9,9'-di-Ac C24H28O8 444.178417 NA MeJP NA NA +MJ064409 3,3',4,4',9,9'-Hexahydroxylignan, 3,4-Methylene, 3'-Me ether, 9,9'-di-Ac C24H28O8 444.178417 NA MeJP NA NA +MJ064410 8,9-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-(2-acetoxymethyl-2E-butenoyl), 9-Ac C24H28O8 444.178417 NA MeJP NA NA +MJ064411 Binankadsurin A; 7-Ac C24H28O8 444.178417 NA MeJP NA NA +MJ064412 Bipinnatin B; 11,12-Deepoxy(Z-), 17-deoxo C24H28O8 444.178417 NA MeJP NA NA +MJ064413 Dihydrooroselol, O-(3S-Angeloyloxy-2R-hydroxy-2-methylbutanoyl) C24H28O8 444.178417 NA MeJP NA NA +MJ064414 Dihydrooroselol, O-[2R-Hydroxy-2-methyl-3S-(3-methyl-2-butenoyloxy)butanoyl] C24H28O8 444.178417 NA MeJP NA NA +MJ064415 Eupomatilone 2 C24H28O8 444.178417 NA MeJP NA NA +MJ064416 Glomelliferic acid; O-De-Me C24H28O8 444.178417 NA MeJP NA NA +MJ064417 Kadsumarin A C24H28O8 444.178417 NA MeJP NA NA +MJ064418 Mallotochromene; 3,4-Dihydro C24H28O8 444.178417 NA MeJP NA NA +MJ064419 Mallotojaponin C24H28O8 444.178417 NA MeJP NA NA +MJ064420 Miriquidic acid; O-De-Me C24H28O8 444.178417 NA MeJP NA NA +MJ064421 Mortonin A; 2?-Acetoxy C24H28O8 444.178417 NA MeJP NA NA +MJ064422 Protosiphulin C24H28O8 444.178417 NA MeJP NA NA +MJ064423 Steganoate A; 8-Epimer, 6-methoxy C24H28O8 444.178417 NA MeJP NA NA +MJ064424 Steganolide A C24H28O8 444.178417 NA MeJP NA NA +MJ064425 Wortmin C24H28O8 444.178417 NA MeJP NA NA +8083 peptide derived from tuna cooking juice PSHDAHPE 444.17895 MH2+ Inhouse_peptide NA peptide +PJ001559 GTMH C17H28N6O6S 444.1791 NA PeJP NA NA +PJ001560 APEE C18H28N4O9 444.1857 NA PeJP NA NA +MetaCyc03578 4-amino-4-deoxy-THF [] C19H24N8O5 444.186966 NA metacyc NA NA +MJ064426 Carapanaubine; N-Oxide C23H28N2O7 444.189651 NA MeJP NA NA +MJ064427 3,4,11-Trihydroxy-6-eudesmen-8-one, 3-(3-Chloro-2-hydroxy-2-methylbutanoyl), 4-Ac C22H33ClO7 444.191481 NA MeJP NA NA +MJ064428 Ciltoprazine C23H29ClN4O3 444.192818 NA MeJP NA NA +MJ064429 4-(4-Chlorophenyl)-4-hydroxy-?,?-diphenyl-1-piperidinepentanenitrile C28H29ClN2O 444.196841 NA MeJP NA NA +PJ001561 STTH C17H28N6O8 444.1969 NA PeJP NA NA +MJ064430 1,4,15-Trihydroxy-11(13)-eudesmen-12,6-olide, 15-O-?-D-Glucopyranoside C21H32O10 444.199547 NA MeJP NA NA +MJ064431 2-Isopropyl-5-methylphenol; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H32O10 444.199547 NA MeJP NA NA +MJ064432 3,11,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide, 4?,15-Dihydro, 3-O-?-D-glucopyranoside C21H32O10 444.199547 NA MeJP NA NA +MJ064433 3,11,14-Trihydroxy-1(10),4-germacradien-12,6-olide, 3-O-?-D-Glucopyranoside C21H32O10 444.199547 NA MeJP NA NA +MJ064434 Dihydrophaseic acid; 3-O-?-D-Glucopyranoside C21H32O10 444.199547 NA MeJP NA NA +MJ064435 Ebuloside C21H32O10 444.199547 NA MeJP NA NA +MJ064436 Patrinoside; 10-Deoxy, 8,10-didehydro C21H32O10 444.199547 NA MeJP NA NA +MJ064437 Penstemide C21H32O10 444.199547 NA MeJP NA NA +MJ064438 Serruloside; 7,8?-Dihydro C21H32O10 444.199547 NA MeJP NA NA +MJ064439 Mitoxantrone C22H28N4O6 444.200884 NA MeJP NA NA +C11195 Mitoxantrone C22H28N4O6 444.2009 NA KEGG NA NA +PJ001562 PPTM C19H32N4O6S 444.2043 NA PeJP NA NA +MJ064440 Aurantiamide; O-Ac C27H28N2O4 444.204907 NA MeJP NA NA +MJ064441 Nitromifene C27H28N2O4 444.204907 NA MeJP NA NA +MJ064442 Quinine; O-(2-Hydroxybenzoyl) C27H28N2O4 444.204907 NA MeJP NA NA +PJ001563 AAHF C21H28N6O5 444.2121 NA PeJP NA NA +MJ064443 1,3,5,7(14),10-Bisabolapentaene-1,2,4,8-tetrol; 2-Me ether, 8-angeloyl, 1,4-di-Ac C25H32O7 444.214803 NA MeJP NA NA +MJ064444 14,15-Epoxy-3,10,16-trihydroxy-19-norbufa-20,22-dienolide, 16-Ac C25H32O7 444.214803 NA MeJP NA NA +MJ064445 14,15-Epoxy-5(15)-isocedrene-9,12,14-triol, 12-Ketone, 9-(3-methyl-2-butenoyl), 14-(2-methylbutanoyl) C25H32O7 444.214803 NA MeJP NA NA +MJ064446 15,16-Epoxy-2,3,4-trihydroxy-1(10),13(16),14-clerodatrien-20,12-olide, 3-Angeloyl C25H32O7 444.214803 NA MeJP NA NA +MJ064447 15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8,17-Didehydro, 3-angeloyl C25H32O7 444.214803 NA MeJP NA NA +MJ064448 2,13,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 13-Ketone, 2-propanoyl, 14-Ac C25H32O7 444.214803 NA MeJP NA NA +MJ064449 2,14-Dihydroxycacalol; 2?-form, 2-O-(3-Methylbutanoyl), 9-O-propanoyl, 14-Ac C25H32O7 444.214803 NA MeJP NA NA +MJ064450 2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide, 3-Ac C25H32O7 444.214803 NA MeJP NA NA +MJ064451 2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-(6,7-Dihydroxy-2,6-dimethyl-2-octenoyl)(E-) C25H32O7 444.214803 NA MeJP NA NA +MJ064452 3,4:15,16-Diepoxy-6,10-dihydroxy-13(16),14-clerodadien-20,12-olide, 6-Angeloyl C25H32O7 444.214803 NA MeJP NA NA +MJ064453 3,6,15-Trihydroxyfuranoeremophilan-9-one, 3-Angeloyl, 6-(3-methyl-2-butenoyl) C25H32O7 444.214803 NA MeJP NA NA +MJ064454 3,6-Dihydroxyfuranoeremophilan-15-oic acid, 3,6-Diangeloyl C25H32O7 444.214803 NA MeJP NA NA +MJ064455 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 6-Angeloyl, 9-(2-methylbutanoyl) C25H32O7 444.214803 NA MeJP NA NA +MJ064456 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-[[2-(2-Hydroxymethyl-2E-butenoyloxy)methyl]-2E-butenoyl] C25H32O7 444.214803 NA MeJP NA NA +MJ064457 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-[[2-(2-Hydroxymethyl-2Z-butenoyloxy)methyl]-2E-butenoyl] C25H32O7 444.214803 NA MeJP NA NA +MJ064458 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-[[4-Hydroxy-2-(2-methyl-2E-butenoyloxy)methyl]-2E-butenoyl] C25H32O7 444.214803 NA MeJP NA NA +MJ064459 Andibenin A C25H32O7 444.214803 NA MeJP NA NA +MJ064460 Anziaic acid; 2'-Me ether C25H32O7 444.214803 NA MeJP NA NA +MJ064461 Anziaic acid; 4-Me ether C25H32O7 444.214803 NA MeJP NA NA +MJ064462 Auricepyrone C25H32O7 444.214803 NA MeJP NA NA +MJ064463 Austalide J C25H32O7 444.214803 NA MeJP NA NA +MJ064464 Clausenolide; 11-Deoxy C25H32O7 444.214803 NA MeJP NA NA +MJ064465 Clavulones, 17,18-Didehydro(Z-) C25H32O7 444.214803 NA MeJP NA NA +MJ064466 Imbricaric acid; 2,2'-Di-Me ether C25H32O7 444.214803 NA MeJP NA NA +MJ064467 Isochiliolide lactone; 6?-(2-Methylbutanoyloxy) C25H32O7 444.214803 NA MeJP NA NA +MJ064468 Seconidorella lactone; 6-Angeloyl C25H32O7 444.214803 NA MeJP NA NA +MJ064469 Stenosporic acid; 2,2'-Di-Me ether C25H32O7 444.214803 NA MeJP NA NA +MJ064470 Tenellic acid B; 1''-O-(2-Methylpropyl) C25H32O7 444.214803 NA MeJP NA NA +3796 NA WWPKHH~ 444.218 MH2+ Inhouse_peptide NA peptide +MJ064471 Nupafant C23H32N4O3S 444.219511 NA MeJP NA NA +3281 NA CRRETAWAC 444.222 MH2+ Inhouse_peptide NA peptide +PJ001564 SPLE C19H32N4O8 444.222 NA PeJP NA NA +C12959 Dimetacrine tartrate C20H26N2 444.226 NA KEGG NA NA +C12960 Transferred to D01509 C20H26N2 444.226 NA KEGG NA NA +C12961 Transferred to D01510 C20H26N2 444.226 NA KEGG NA NA +MJ064472 13-Hydroxylupanine; O-(3-Hydroxy-4,5-dimethoxybenzoyl) C24H32N2O6 444.226036 NA MeJP NA NA +MJ064473 4,13-Dihydroxylupanine, O13-(3,4-Dimethoxybenzoyl) C24H32N2O6 444.226036 NA MeJP NA NA +MJ064474 3-tert-Butyl-1-propyl-5-[[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-1H-pyrazole-4-carboxylic acid C25H28N6O2 444.227374 NA MeJP NA NA +2615 synthetic peptide inhibitors of (PEP) VYPFPGPI 444.23 MH2+ Inhouse_peptide NA peptide +7492 ACE inhibitor (from bovine b-CN) VYPFPGPI 444.23 MH2+ Inhouse_peptide NA peptide +MJ064475 3,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one, 3-Cinnamoyl C29H32O4 444.230059 NA MeJP NA NA +MJ064476 Artocarpol A C29H32O4 444.230059 NA MeJP NA NA +MJ064477 Artocarpol C C29H32O4 444.230059 NA MeJP NA NA +PJ001565 SPNK C18H32N6O7 444.2333 NA PeJP NA NA +PJ001566 PVVM C20H36N4O5S 444.2407 NA PeJP NA NA +PJ001567 AAQR C17H32N8O6 444.2445 NA PeJP NA NA +MJ064478 2,14-Dihydroxy-5,8(17),11-briaratrien-18,7-olide, 2-Butanoyl, 14-Ac C26H36O6 444.251188 NA MeJP NA NA +MJ064479 Antibiotic GR 95647X C26H36O6 444.251188 NA MeJP NA NA +MJ064480 Bufotalin C26H36O6 444.251188 NA MeJP NA NA +MJ064481 Deacylcylindrol; 4'-Propanoyl C26H36O6 444.251188 NA MeJP NA NA +MJ064482 Prednisolone; 17-Pentanoyl C26H36O6 444.251188 NA MeJP NA NA +MJ064483 Prednisolone; 21-(2,2-Dimethylpropanoyl) C26H36O6 444.251188 NA MeJP NA NA +MJ064484 Secodriol C26H36O6 444.251188 NA MeJP NA NA +MJ064485 Tricoccin S13; 17?-Hydroxy C26H36O6 444.251188 NA MeJP NA NA +MJ064486 Tricoccin S13; 28-Hydroxy C26H36O6 444.251188 NA MeJP NA NA +C16923 Bufotalin C26H36O6 444.2512 NA KEGG NA NA +PJ001568 NRR C16H32N10O5 444.2557 NA PeJP NA NA +MJ064487 Antibiotic I1 C20H36N4O7 444.258399 NA MeJP NA NA +PJ001569 ALLE C20H36N4O7 444.2584 NA PeJP NA NA +MetaCyc03579 sn-3-o-(geranylgeranyl)glyceryl 1-phosphate [] C23H41O6P1 444.264076 NA metacyc NA NA +C04590 sn-3-O-(Geranylgeranyl)glycerol 1-phosphate C23H41O6P 444.2641 NA KEGG NA NA +MJ064488 4'-Oxo-4,4'-diapocaroten-4-oic acid C30H36O3 444.266445 NA MeJP NA NA +MJ064489 Adociacetylene B C30H36O3 444.266445 NA MeJP NA NA +MJ064490 Apoastacenal C30H36O3 444.266445 NA MeJP NA NA +MJ064491 Difurocumenone C30H36O3 444.266445 NA MeJP NA NA +PJ001570 GLQK C19H36N6O6 444.2697 NA PeJP NA NA +MJ064492 1,6-Farnesadiene-3,12-diol; 3-O-(2-O-Acetyl-?-D-glucopyranoside) C23H40O8 444.272318 NA MeJP NA NA +MJ064493 Abyssinine B; N-De-Me C24H36N4O4 444.273655 NA MeJP NA NA +PJ001571 AAKR C18H36N8O5 444.2809 NA PeJP NA NA +MJ064494 Broussonetine I; N-Ac C22H40N2O7 444.283551 NA MeJP NA NA +HMDB00969 1,25-Dihydroxyvitamin D3-26,23-lactone C27H40O5 444.287567 NA HMDB2010 NA NA +HMDB00969 1,25-Dihydroxyvitamin D3-26,23-lactone C27H40O5 444.28757 http://www.hmdb.ca/metabolites/HMDB00969 HMDB NA NA +HMDB00969 1,25-Dihydroxyvitamin D3-26,23-lactone C27H40O5 444.28757 HMDB00969 PFEM_hmdb_metabocards_official NA NA +MJ064495 1-(2,5-Dihydroxy-3-methylphenyl)-15-hydroxy-3,7,11,15-tetramethyl-2,6-hexadecadiene-5,12-dione C27H40O5 444.287574 NA MeJP NA NA +MJ064496 12,15-Dihydroxy-3,13-clerodadien-2-one, 15-Angeloyl, 12-Ac C27H40O5 444.287574 NA MeJP NA NA +MJ064497 12,25-Dihydroxy-16-scalaren-24,25-olide, 12-Ac C27H40O5 444.287574 NA MeJP NA NA +MJ064498 2,3-Dihydroxyspirost-5-en-12-one C27H40O5 444.287574 NA MeJP NA NA +MJ064499 2,3-Dihydroxyspirost-9(11)-en-12-one C27H40O5 444.287574 NA MeJP NA NA +MJ064500 2,3-Dihydroxyspirostan-12-one, 25,27-Didehydro C27H40O5 444.287574 NA MeJP NA NA +MJ064501 24,25-Epoxy-16-scalarene-3,12,25-triol, 3-Ketone, 12-Ac C27H40O5 444.287574 NA MeJP NA NA +MJ064502 3,16-Dihydroxyspirost-5-en-11-one C27H40O5 444.287574 NA MeJP NA NA +MJ064503 3,25-Dihydroxyspirost-5-en-11-one C27H40O5 444.287574 NA MeJP NA NA +MJ064504 3,26-Dihydroxycholest-5-ene-11,16,22-trione C27H40O5 444.287574 NA MeJP NA NA +MJ064505 3,26-Dihydroxycholest-5-ene-12,16,22-trione C27H40O5 444.287574 NA MeJP NA NA +MJ064506 3-Heptyl-7-hydroxy-7-methyl-7H-2-benzopyran-6,8-dione; Decanoyl C27H40O5 444.287574 NA MeJP NA NA +MJ064507 3-Hydroxyspirostane-2,12-dione C27H40O5 444.287574 NA MeJP NA NA +MJ064508 Afurigenin C27H40O5 444.287574 NA MeJP NA NA +MJ064509 Amphidinolide K C27H40O5 444.287574 NA MeJP NA NA +MJ064510 Chinensin I C27H40O5 444.287574 NA MeJP NA NA +MJ064511 Chrysochlamic acid C27H40O5 444.287574 NA MeJP NA NA +MJ064512 Cladocoran B; 18-Ac C27H40O5 444.287574 NA MeJP NA NA +MJ064513 Daldinin A; Daldinin A1 C27H40O5 444.287574 NA MeJP NA NA +MJ064514 Foetidinol C27H40O5 444.287574 NA MeJP NA NA +MJ064515 Fusaproliferin C27H40O5 444.287574 NA MeJP NA NA +MJ064516 Hypercalin A C27H40O5 444.287574 NA MeJP NA NA +MJ064517 Inorolide A C27H40O5 444.287574 NA MeJP NA NA +MJ064518 Inorolide C C27H40O5 444.287574 NA MeJP NA NA +MJ064519 Luffarin E; 21-Aldehyde, di-Me acetal C27H40O5 444.287574 NA MeJP NA NA +MJ064520 Neomanoalide, 24-Ac C27H40O5 444.287574 NA MeJP NA NA +MJ064521 Scalarolbutenolide C27H40O5 444.287574 NA MeJP NA NA +MJ064522 Spirost-5-ene-3,15,23-triol, 15-Ketone C27H40O5 444.287574 NA MeJP NA NA +MJ064523 Spirosta-5,25(27)-diene-1,2,3-triol C27H40O5 444.287574 NA MeJP NA NA +MJ064524 Spirosta-5,25(27)-diene-1,3,11-triol C27H40O5 444.287574 NA MeJP NA NA +MJ064525 Spirosta-5,25(27)-diene-1,3,23-triol C27H40O5 444.287574 NA MeJP NA NA +PJ001572 SLLL C21H40N4O6 444.2948 NA PeJP NA NA +MJ064526 Menatetrenone C31H40O2 444.30283 NA MeJP NA NA +MJ064527 Triophaxanthin C31H40O2 444.30283 NA MeJP NA NA +PJ001573 GLKK C20H40N6O5 444.306 NA PeJP NA NA +MJ064528 Zeraconine C30H40N2O 444.314063 NA MeJP NA NA +MJ064529 11-Eremophilene-3,8,9-triol, 3-(5-Methyl-2E,4E,6E-dodecatrienoyl) C28H44O4 444.323959 NA MeJP NA NA +MJ064530 16,18,20-Trihydroxyergosta-1,4,22-trien-3-one, 1,2-Dihydro C28H44O4 444.323959 NA MeJP NA NA +MJ064531 16,18,20-Trihydroxyergosta-1,4,22-trien-3-one, 4,5-Dihydro C28H44O4 444.323959 NA MeJP NA NA +MJ064532 2-(10,11-Dihydroxygeranylgeranyl)-6-methyl-1,4-benzenediol; 4-Me ether C28H44O4 444.323959 NA MeJP NA NA +MJ064533 2-Alkyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 2-Heptadecyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one C28H44O4 444.323959 NA MeJP NA NA +MJ064534 22,25-Epoxy-24-methylfurost-5-ene-3,20-diol C28H44O4 444.323959 NA MeJP NA NA +MJ064535 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 11-Octadecenyl ester(Z-) C28H44O4 444.323959 NA MeJP NA NA +MJ064536 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 4-O-(13-Octadecenyl)(Z-) C28H44O4 444.323959 NA MeJP NA NA +MJ064537 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 4-O-(14-Octadecenyl)(Z-) C28H44O4 444.323959 NA MeJP NA NA +MJ064538 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 9-Octadecenyl ester(Z-) C28H44O4 444.323959 NA MeJP NA NA +MJ064539 5,6-Epoxyergosta-8,22-diene-3,7,14-triol C28H44O4 444.323959 NA MeJP NA NA +MJ064540 5,6-Epoxyergosta-8,24(28)-diene-3,7,11-triol C28H44O4 444.323959 NA MeJP NA NA +MJ064541 5,7-Dihydroxy-2-nonadecyl-4H-1-benzopyran-4-one C28H44O4 444.323959 NA MeJP NA NA +MJ064542 5,9-Epidioxy-3-hydroxyergosta-7,22-dien-6-one, 22,23-Dihydro C28H44O4 444.323959 NA MeJP NA NA +MJ064543 9,10-Secoergosta-5,7,10(19),22-tetraene-1,3,24,25-tetrol C28H44O4 444.323959 NA MeJP NA NA +MJ064544 Antibiotic Mer-NF 8054X; 11-Deoxo C28H44O4 444.323959 NA MeJP NA NA +MJ064545 Bethogenin C28H44O4 444.323959 NA MeJP NA NA +MJ064546 Citreospirosteroid C28H44O4 444.323959 NA MeJP NA NA +MJ064547 Ergosta-5,24(28)-diene-1,3,11,18-tetrol, 18-Aldehyde C28H44O4 444.323959 NA MeJP NA NA +MJ064548 Ergosta-5,8,22-triene-3,7-diol, 5?,6?:8?,9?-Diepoxide C28H44O4 444.323959 NA MeJP NA NA +MJ064549 Ergosta-7,22-diene-3,5,6,9-tetrol, 6-Ketone C28H44O4 444.323959 NA MeJP NA NA +HMDB06227 1-alpha,24R,25-Trihydroxyvitamin D2 C28H44O4 444.32397 http://www.hmdb.ca/metabolites/HMDB06227 HMDB NA NA +HMDB06227 1-alpha,24R,25-Trihydroxyvitamin D2 C28H44O4 444.32397 HMDB06227 PFEM_hmdb_metabocards_official NA NA +HMDB06227 1-a,24R,25-Trihydroxyvitamin D2 C28H44O4 444.323975 NA HMDB2010 NA NA +MJ064550 Baleabuxoxazine C C27H44N2O3 444.335193 NA MeJP NA NA +MJ064551 Spirosolan-3-ol, N-Nitroso C27H44N2O3 444.335193 NA MeJP NA NA +C04840 3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate C29H48O3 444.3603 NA KEGG NA NA +C08631 Messagenin C29H48O3 444.3603 NA KEGG NA NA +MJ064552 17,20-Epoxy-23-methylergost-5-ene-3,22-diol C29H48O3 444.360345 NA MeJP NA NA +MJ064553 17-Hydroperoxy-28-nor-3-friedelanone; 17?-form C29H48O3 444.360345 NA MeJP NA NA +MJ064554 17-Hydroxy-28-nor-3-friedelanone; 17?-form, 25-Hydroxy C29H48O3 444.360345 NA MeJP NA NA +MJ064555 23-Methylergosta-5,17(20)-diene-3,22,25-triol C29H48O3 444.360345 NA MeJP NA NA +MJ064556 23-Methylergosta-7,22-diene-3,5,6-triol C29H48O3 444.360345 NA MeJP NA NA +MJ064557 23-Norgorgost-5-ene-1,3,11-triol C29H48O3 444.360345 NA MeJP NA NA +MJ064558 23-Norgorgost-7-ene-3,5,6-triol C29H48O3 444.360345 NA MeJP NA NA +MJ064559 24-Hydroperoxystigmasta-5,28-dien-3-ol C29H48O3 444.360345 NA MeJP NA NA +MJ064560 24-Methylene-28,29-dinorcycloartane-3,4,6-triol C29H48O3 444.360345 NA MeJP NA NA +MJ064561 29-Norlanosta-8,23-diene-3,25-diol, 25-Hydroperoxide C29H48O3 444.360345 NA MeJP NA NA +MJ064562 29-Norlanosta-8,24-diene-1,2,3-triol C29H48O3 444.360345 NA MeJP NA NA +MJ064563 29-Norlanosta-8,25-diene-3,24-diol, 24-Hydroperoxide C29H48O3 444.360345 NA MeJP NA NA +MJ064564 3,11-Dihydroxystigmast-7-en-6-one C29H48O3 444.360345 NA MeJP NA NA +MJ064565 3-(4-Hydroxyphenyl)-2-propenoic acid, Eicosyl ester C29H48O3 444.360345 NA MeJP NA NA +MJ064566 3-Hydroxy-4-methylene-8,14-secoergostane-8,14-dione C29H48O3 444.360345 NA MeJP NA NA +MJ064567 4-Methyl-3,8-dihydroxyergost-24(28)-en-23-one C29H48O3 444.360345 NA MeJP NA NA +MJ064568 5,8-Epidioxystigmasta-6,22-dien-3-ol, 22,23-Dihydro C29H48O3 444.360345 NA MeJP NA NA +MJ064569 5-Hydroperoxystigmasta-6,25-dien-3-ol C29H48O3 444.360345 NA MeJP NA NA +MJ064570 6-Hydroxystigmast-4-en-3-one, 6-Hydroperoxide C29H48O3 444.360345 NA MeJP NA NA +MJ064571 Aragusterol B C29H48O3 444.360345 NA MeJP NA NA +MJ064572 Aragusterol G; 3-Ketone C29H48O3 444.360345 NA MeJP NA NA +MJ064573 Ergosta-7,22-diene-2,3,9-triol, 2-Me ether C29H48O3 444.360345 NA MeJP NA NA +MJ064574 Ergosta-7,22-diene-3,5,6-triol, 6-Me ether C29H48O3 444.360345 NA MeJP NA NA +MJ064575 Stigmast-5-ene-3,7,22-triol, 7-Ketone C29H48O3 444.360345 NA MeJP NA NA +MJ064576 Stigmast-7-ene-3,5,6-triol, 6-Ketone C29H48O3 444.360345 NA MeJP NA NA +MJ064577 Stigmasta-5,22-diene-3,7,16-triol C29H48O3 444.360345 NA MeJP NA NA +MJ064578 Stigmasta-5,24(28)-diene-3,29-diol, 29-Hydroperoxide C29H48O3 444.360345 NA MeJP NA NA +MJ064579 Stigmasta-5,25-diene-3,7-diol, 7-Hydroperoxide C29H48O3 444.360345 NA MeJP NA NA +MJ064580 Stigmasta-7,22-diene-3,5,6-triol C29H48O3 444.360345 NA MeJP NA NA +MJ064581 Stigmasta-7,24(28)-diene-3,5,6-triol C29H48O3 444.360345 NA MeJP NA NA +MetaCyc03580 3β-hydroxy-4β-methyl-5α-cholest-7-ene- 4α-carboxylate [17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid;] C29H48O3 444.360345 NA metacyc NA NA +HMDB11662 3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate C29H48O3 444.360352 NA HMDB2010 NA NA +HMDB12165 4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol C29H48O3 444.360352 NA HMDB2010 NA NA +MJ064582 3,20-Diaminopregnan-11-ol, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl) C28H48N2O2 444.371578 NA MeJP NA NA +MJ064583 Buxazine C28H48N2O2 444.371578 NA MeJP NA NA +MJ064584 Buxidienine I; 16-Epimer, N-tetra-Me (?) C28H48N2O2 444.371578 NA MeJP NA NA +MJ064585 Cyclobuxoxazine C; N-Me C28H48N2O2 444.371578 NA MeJP NA NA +MJ064586 Cyclomethoxazine B C28H48N2O2 444.371578 NA MeJP NA NA +MJ064587 Cyclomicrophylline I; N-Tetra-Me C28H48N2O2 444.371578 NA MeJP NA NA +MJ064588 Solanocapsine; Me ether C28H48N2O2 444.371578 NA MeJP NA NA +MJ064589 Epithiotriterpene C30H52S 444.378972 NA MeJP NA NA +C08621 Dammarenediol-I C30H52O2 444.3967 NA KEGG NA NA +HMDB12160 4,4-Dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol C30H52O2 444.396729 NA HMDB2010 NA NA +MJ064590 11,22-Hopanediol; 11?-form C30H52O2 444.39673 NA MeJP NA NA +MJ064591 13,17,21-Polypodatriene-3,8-diol C30H52O2 444.39673 NA MeJP NA NA +MJ064592 15,18,21,24,27-Triacontapentaenoic acid, 27,28-Dihydro C30H52O2 444.39673 NA MeJP NA NA +MJ064593 15,22-Hopanediol; 15?-form C30H52O2 444.39673 NA MeJP NA NA +MJ064594 16,22-Hopanediol; 16?-form C30H52O2 444.39673 NA MeJP NA NA +MJ064595 2,3-Friedelanediol C30H52O2 444.39673 NA MeJP NA NA +MJ064596 20,22-Hopanediol C30H52O2 444.39673 NA MeJP NA NA +MJ064597 20,24-Epoxydammaran-25-ol C30H52O2 444.39673 NA MeJP NA NA +MJ064598 22,28-Hopanediol C30H52O2 444.39673 NA MeJP NA NA +MJ064599 22,29-Hopanediol C30H52O2 444.39673 NA MeJP NA NA +MJ064600 24-Isopropylcholesta-5,22-diene-3,7-diol, 22,23-Dihydro C30H52O2 444.39673 NA MeJP NA NA +MJ064601 28,29-Hopanediol C30H52O2 444.39673 NA MeJP NA NA +MJ064602 3,14-Taraxeranediol C30H52O2 444.39673 NA MeJP NA NA +MJ064603 3,16-Friedelanediol C30H52O2 444.39673 NA MeJP NA NA +MJ064604 3,18-Neohopanediol C30H52O2 444.39673 NA MeJP NA NA +MJ064605 3,20-Lupanediol C30H52O2 444.39673 NA MeJP NA NA +MJ064606 3,20-Taraxastanediol C30H52O2 444.39673 NA MeJP NA NA +MJ064607 3,21-Gammaceranediol C30H52O2 444.39673 NA MeJP NA NA +MJ064608 3,22-Hopanediol C30H52O2 444.39673 NA MeJP NA NA +MJ064609 3,22-Stictanediol C30H52O2 444.39673 NA MeJP NA NA +MJ064610 3,28-Friedelanediol C30H52O2 444.39673 NA MeJP NA NA +MJ064611 3,29-Friedelanediol C30H52O2 444.39673 NA MeJP NA NA +MJ064612 3,29-Lupanediol C30H52O2 444.39673 NA MeJP NA NA +MJ064613 3,30-Friedelanediol; 3?-form C30H52O2 444.39673 NA MeJP NA NA +MJ064614 3,4-Seco-4(23)-adianene-3,5-diol C30H52O2 444.39673 NA MeJP NA NA +MJ064615 3,4-Seco-4(23)-friedelen-3-oic acid; 4,23-Dihydro C30H52O2 444.39673 NA MeJP NA NA +MJ064616 3,4-Seco-4(23)-friedelene-3,5-diol; 5?-form C30H52O2 444.39673 NA MeJP NA NA +MJ064617 3,5-Ursanediol C30H52O2 444.39673 NA MeJP NA NA +MJ064618 4,23-Dinor-3,4-seco-5(24)-filicen-3-al; Di-Me acetal C30H52O2 444.39673 NA MeJP NA NA +MJ064619 5,9,19,23-Triacontatetraenoic acid C30H52O2 444.39673 NA MeJP NA NA +MJ064620 6,22-Hopanediol C30H52O2 444.39673 NA MeJP NA NA +MJ064621 7,22-Hopanediol C30H52O2 444.39673 NA MeJP NA NA +MJ064622 7-Onocerene-3,21-diol C30H52O2 444.39673 NA MeJP NA NA +MJ064623 Cucurbit-24-ene-3,5-diol C30H52O2 444.39673 NA MeJP NA NA +MJ064624 Cycloartane-3,21-diol C30H52O2 444.39673 NA MeJP NA NA +MJ064625 Cycloartane-3,25-diol C30H52O2 444.39673 NA MeJP NA NA +MJ064626 Cycloartane-3,29-diol C30H52O2 444.39673 NA MeJP NA NA +MJ064627 Dammar-23-ene-3,25-diol C30H52O2 444.39673 NA MeJP NA NA +MJ064628 Dammar-24-ene-3,20-diol C30H52O2 444.39673 NA MeJP NA NA +MJ064629 Ergost-7-en-3-ol, Methoxymethyl ether C30H52O2 444.39673 NA MeJP NA NA +MJ064630 Lanost-24-ene-3,20-diol C30H52O2 444.39673 NA MeJP NA NA +MJ064631 Lanost-9(11)-ene-3,20-diol C30H52O2 444.39673 NA MeJP NA NA +MJ064632 Stigmast-5-ene-3,7-diol, 7-Me ether C30H52O2 444.39673 NA MeJP NA NA +MetaCyc03581 4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol [β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol;] C30H52O2 444.396731 NA metacyc NA NA +MetaCyc03582 3,20-dihydroxylupane [] C30H52O2 444.396731 NA metacyc NA NA +2566 regulating cell-permeability peptide NYKKPKL 444.76195 MH2+ Inhouse_peptide NA peptide +C08101 Cephapirin sodium C17H16N3O6S2 445.0378 NA KEGG NA NA +MJ064633 Tiemonium(1+), Iodide C18H24INO2S 445.057243 NA MeJP NA NA +MJ064634 Spiclomazine C22H24ClN3OS2 445.104931 NA MeJP NA NA +MJ064635 5-Oxooctyl glucosinolate C15H27NO10S2 445.107637 NA MeJP NA NA +MJ064636 7-Methoxycephalosporin C C17H23N3O9S 445.1155 NA MeJP NA NA +MJ064637 Chromopyrrolic acid; 5',5''-Dihydroxy, di-Me ester C24H19N3O6 445.127385 NA MeJP NA NA +MJ064638 6-(1-Hydroxyethyl)-4-methyl-3-[[5-[3-[(methylsulfonyl)amino]-1-propenyl]-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid C18H27N3O6S2 445.134126 NA MeJP NA NA +C13825 O-Hexanoyl-adnosine monophosphate C16H24N5O8P 445.1362 NA KEGG NA NA +MJ064639 Azicemicin A; N-De-Me C22H23NO9 445.137281 NA MeJP NA NA +MJ064640 Pseurotins; Pseurotin E C22H23NO9 445.137281 NA MeJP NA NA +MJ064641 Sulamserod C19H28ClN3O5S 445.143819 NA MeJP NA NA +MJ064642 Metopimazine C22H27N3O3S2 445.149383 NA MeJP NA NA +MJ064643 2-Hydroxy-2-phenylacetamide, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C19H27NO11 445.15841 NA MeJP NA NA +MJ064644 Perphenazine; Ac C23H28ClN3O2S 445.159075 NA MeJP NA NA +CJpos0793 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)]+ (13C) C1913CH29O11 445.165975 C18rt(min)=8.68 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0793 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)]+ (13C) C1913CH29O11 445.165975 C18rt(min)=8.68 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +CJneg0602 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M-H)]- (13C) C1913CH27O11 445.167025 C18rt(min)=8.68 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0602 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M-H)]- (13C) C1913CH27O11 445.167025 C18rt(min)=8.68 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ064645 Glisentide C22H27N3O5S 445.167141 NA MeJP NA NA +MJ064646 Tetrahydrofolate C19H23N7O6 445.170981 NA MeJP NA NA +MetaCyc03583 tetrahydrofolate [H4PteGlu;5,6,7,8-tetrahydrofolic acid;tetrahydrofolic acid;(6S)-tetrahydrofolate;H4PteGlu1;tetrahydropteroyl mono-L-glutamate;tetrahydrafolate;5,6,7,8-tetrahydrofolate;THF;tetra-H-folate;th-folate;FH4;folate-H4;tetrahydropteroylglutamate;H4F;] C19H23N7O6 445.170982 29347-89-5 metacyc NA NA +HMDB01846 Tetrahydrofolic acid C19H23N7O6 445.17099 http://www.hmdb.ca/metabolites/HMDB01846 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01846 Tetrahydrofolic acid C19H23N7O6 445.17099 http://www.hmdb.ca/metabolites/HMDB01846 HMDB NA NA +HMDB01846 Tetrahydrofolic acid C19H23N7O6 445.17099 http://www.hmdb.ca/metabolites/HMDB01846 PFEM_hmdb_metabocards_blood NA blood +HMDB01846 Tetrahydrofolic acid C19H23N7O6 445.17099 HMDB01846 PFEM_hmdb_metabocards_official NA NA +HMDB01846 Tetrahydrofolic acid C19H23N7O6 445.17099 NA HMDB2010 NA NA +C00101 Tetrahydrofolate C19H23N7O6 445.171 NA KEGG NA NA +MJ064647 Chryseomonin C21H26N4O7(+) 445.172324 NA MeJP NA NA +7951 synthetic peptide YYT 445.173 ACE inhibitor Inhouse_peptide NA peptide +7973 synthetic peptide YTY 445.173 antioxidative Inhouse_peptide NA peptide +7975 synthetic peptide TYY 445.173 antioxidative Inhouse_peptide NA peptide +MJ064648 Dubiusine C23H27NO8 445.173666 NA MeJP NA NA +MJ064649 Narceine C23H27NO8 445.173666 NA MeJP NA NA +C09591 Narceine C23H27NO8 445.1737 NA KEGG NA NA +C12240 Dubiusine C23H27NO8 445.1737 NA KEGG NA NA +CJneg0603 Phe Tyr Asp (and isomers) [(M-H)]- (13C2) C2013C2H24N3O7 445.176525 C18rt(min)=5.85 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0603 Phe Tyr Asp (and isomers) [(M-H)]- (13C2) C2013C2H24N3O7 445.176525 C18rt(min)=5.85 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +C13182 Benexate hydrochloride C23H27N3O4 445.1768 NA KEGG NA NA +MJ064650 Glipizide C21H27N5O4S 445.178375 NA MeJP NA NA +PJ001574 SPNE C17H27N5O9 445.1809 NA PeJP NA NA +2 Sarcoplasmic GLSDGEWQ 445.183 MH2+ Inhouse_peptide NA peptide +MJ064651 Tridihexethyl(1+), Iodide C21H36INO 445.184158 NA MeJP NA NA +C07862 Tridihexethyl iodide C21H36NO 445.1842 NA KEGG NA NA +C07863 Transferred to D00723 C21H36NO 445.1842 NA KEGG NA NA +PJ001575 TYY C22H27N3O7 445.1849 NA PeJP NA NA +PJ001576 GNQQ C16H27N7O8 445.1921 NA PeJP NA NA +PJ001577 GGGGGAA C16H27N7O8 445.1922 NA PeJP NA NA +PJ001578 GSPW C21H27N5O6 445.1962 NA PeJP NA NA +PJ001579 APQM C18H31N5O6S 445.1995 NA PeJP NA NA +MJ064652 Avrainvillamide C26H27N3O4 445.200156 NA MeJP NA NA +MJ064653 Apiosporamide; N-Hydroxy C24H31NO7 445.210052 NA MeJP NA NA +MJ064654 Arecolidine C24H31NO7 445.210052 NA MeJP NA NA +MJ064655 Echinatine; 3'-O-(4-Hydroxycinnamoyl) C24H31NO7 445.210052 NA MeJP NA NA +MJ064656 Erysotrine, O16-De-Me, O-?-L-rhamnopyranoside C24H31NO7 445.210052 NA MeJP NA NA +PJ001580 APCR C17H31N7O5S 445.2108 NA PeJP NA NA +PJ001581 GLQE C18H31N5O8 445.2173 NA PeJP NA NA +EUR815 Lyso PE 14:1 [M+Na]+ C19H38NO7P 445.220538 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR815 Lyso PE 14:1 [M+Na]+ C19H38NO7P 445.220538 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR815 Lyso PE 14:1 [M+Na]+ C19H38NO7P 445.220538 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR815 Lyso PE 14:1 [M+Na]+ C19H38NO7P 445.220538 masses lipides attendues Inhousejuil11 NA NA +8015 synthetic peptide LWQ 445.221 antibacterial Inhouse_peptide NA peptide +MJ064657 Alternarolide III; Me ether C23H31N3O6 445.221285 NA MeJP NA NA +C16786 AM-toxin I C23H31N3O6 445.2213 NA KEGG NA NA +MJ064658 Bengacarboline C29H27N5 445.226645 NA MeJP NA NA +PJ001582 AAER C17H31N7O7 445.2285 NA PeJP NA NA +PJ001583 LQW C22H31N5O5 445.2325 NA PeJP NA NA +PJ001584 APKM C19H35N5O5S 445.2359 NA PeJP NA NA +PJ001585 DRR C16H31N9O6 445.2398 NA PeJP NA NA +MJ064659 Alkaloid GB11; 14-Me ether, O20-deacetyl, 16-Ac C25H35NO6 445.246437 NA MeJP NA NA +MJ064660 Antibiotic F 1839A; N-(2-Hydroxyethyl) C25H35NO6 445.246437 NA MeJP NA NA +MJ064661 Gomandonine; 1,13-Di-Ac C25H35NO6 445.246437 NA MeJP NA NA +MJ064662 Nakijiquinone D C25H35NO6 445.246437 NA MeJP NA NA +MJ064663 Elbanizine C26H31N5O2 445.247775 NA MeJP NA NA +MJ064664 N-[5-(3-Azabicyclo[3.2.2]non-3-yl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)urea C26H31N5O2 445.247775 NA MeJP NA NA +PJ001586 GLKE C19H35N5O7 445.2537 NA PeJP NA NA +7546 ACE inhibitor IKW 445.257 antioxidative Inhouse_peptide NA peptide +8012 synthetic peptide LWK 445.257 antibacterial Inhouse_peptide NA peptide +42 Muscle IKW 445.258 celiac toxic Inhouse_peptide NA peptide +MJ064665 Protophomin C29H35NO3 445.261693 NA MeJP NA NA +PJ001587 GTLR C18H35N7O6 445.2649 NA PeJP NA NA +PJ001588 LKW C23H35N5O4 445.2689 NA PeJP NA NA +MJ064666 Piericidin; Piericidin A1, 10'-Me ether, 11',12'-epoxide C26H39NO5 445.282823 NA MeJP NA NA +MJ064667 Piericidin; Piericidin A2, 11',12'-Epoxide C26H39NO5 445.282823 NA MeJP NA NA +PJ001589 SVLK C20H39N5O6 445.2901 NA PeJP NA NA +MJ064668 11-[4-(Dimethylamino)phenyl]-4',5'-dihydro-6-methylspiro[estra-4,9-diene-17,2'(3'H)-furan]-3-one C30H39NO2 445.298079 NA MeJP NA NA +MJ064669 2-(2,2-Dimethyl-4-morpholinyl)-3-hydroxypregnane-11,20-dione C27H43NO4 445.319208 NA MeJP NA NA +MJ064670 Alkaloid SN-c C27H43NO4 445.319208 NA MeJP NA NA +MJ064671 Cevane-3,6,20-triol, 6-Ketone, N-oxide (?-) C27H43NO4 445.319208 NA MeJP NA NA +MJ064672 Imperialine; N-Oxide C27H43NO4 445.319208 NA MeJP NA NA +MJ064673 Korsine; N-Oxide C27H43NO4 445.319208 NA MeJP NA NA +MJ064674 Kuroyurinidine C27H43NO4 445.319208 NA MeJP NA NA +MJ064675 3-Desamino-3-hydroxysolanocapsine; O22-Me C28H47NO3 445.355594 NA MeJP NA NA +MJ064676 Anrakorinine C28H47NO3 445.355594 NA MeJP NA NA +MJ064677 Pingbeinine C28H47NO3 445.355594 NA MeJP NA NA +MJ064678 Valivine C28H47NO3 445.355594 NA MeJP NA NA +MJ064679 Methyl 3-(tricosadienyl)-1H-pyrrole-2-carboxylate; Dihydro C29H51NO2 445.391979 NA MeJP NA NA +MJ064680 Solaquidine C29H51NO2 445.391979 NA MeJP NA NA +2571 VV-hemorphin-5 VVYPWTQ 445.7175 MH2+ Inhouse_peptide NA peptide +2588 tenecin-1 (33-42) YCNGKRVCVCG 445.73945 MH2+ Inhouse_peptide NA peptide +MJ064681 4-Bromo-3-(1-hydroxybutyl)-5-methoxy-5-methyl-2(5H)-furanone, 1''-Iodo, Ac C12H16BrIO5 445.922579 NA MeJP NA NA +MJ064682 Amathaspiramide C; 2-Oxo C15H16Br2N2O4 445.947682 NA MeJP NA NA +MJ064683 Spiroxin D; 1-Ketone, 7,7'-dichloro, 8'-hydroxy C20H8Cl2O8 445.959622 NA MeJP NA NA +FL3FACNSS004 Luteolin 7,3'-disulfate C15H10O12S2 445.96136 59176-62-4 knapsack NA NA +FL5FAANSS003 Kaempferol 3,7-di-O-sulfate C15H10O12S2 445.96136 64291-85-6 knapsack NA NA +MJ064684 3',4',5,7-Tetrahydroxyflavone; 3',7-Di-O-sulfate C15H10O12S2 445.961367 NA MeJP NA NA +MJ064685 3,4',5,7-Tetrahydroxyflavone; 3,7-Di-O-sulfate C15H10O12S2 445.961367 NA MeJP NA NA +MJ064686 Amathaspiramide C; N1-Me C16H20Br2N2O3 445.984067 NA MeJP NA NA +MJ064687 Caespitol; 6-Hydroxy C15H25Br2ClO3 445.985897 NA MeJP NA NA +MJ064688 Tioclomarol C22H16Cl2O4S 446.014635 NA MeJP NA NA +EUR245 Thiamin pyrophosphate F7 F7 446.032675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR245 Thiamine pyrophosphate F7 NA 446.032675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR245 Thiamin pyrophosphate F7 F7 446.032675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR245 Thiamine pyrophosphate F7 NA 446.032675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR245 Thiamin pyrophosphate F7 F7 446.032675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR245 Thiamine pyrophosphate F7 NA 446.032675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR245 Thiamin pyrophosphate F7 F7 446.032675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR245 Thiamin pyrophosphate F7 F7 446.032675 standards wishlist analysés sur QTOF HMDB NA NA +EUR245 Thiamin pyrophosphate F7 F7 446.032675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR245 Thiamine pyrophosphate F7 NA 446.032675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR245 Thiamin pyrophosphate F7 F7 446.032675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR245 Thiamin pyrophosphate F7 F7 446.032675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ064689 Gluconic acid, Fe(II) salt C12H22FeO14 446.035897 NA MeJP NA NA +C06229 Fe(III)dicitrate C12H22FeO14 446.0359 NA KEGG NA NA +MJ064690 18,18-Dibromo-5,17-octadecadien-7-ynoic acid, Me ester C19H28Br2O2 446.045605 NA MeJP NA NA +C08108 Cefuroxime sodium C16H15N4O8S 446.0508 NA KEGG NA NA +MJ064691 Securamine A C20H20BrClN4O 446.050901 NA MeJP NA NA +MJ064692 CDPethanolamine C11H20N4O11P2 446.06038 NA MeJP NA NA +MJ064693 Cytidine diphosphate ethanolamine C11H20N4O11P2 446.06038 NA MeJP NA NA +MetaCyc03584 CDP-ethanolamine [cytidine diphosphate ethanolamine;] C11H20N4O11P2 446.060381 3036-18-8 metacyc NA NA +HMDB01564 CDP-Ethanolamine C11H20N4O11P2 446.06039 http://www.hmdb.ca/metabolites/HMDB01564 HMDB NA NA +HMDB01564 CDP-Ethanolamine C11H20N4O11P2 446.06039 HMDB01564 PFEM_hmdb_metabocards_official NA NA +HMDB01564 CDP-Ethanolamine C11H20N4O11P2 446.060394 NA HMDB2010 NA NA +C00570 CDP-ethanolamine C11H20N4O11P2 446.0604 NA KEGG NA NA +MJ064694 Apoaranotin C20H18N2O6S2 446.060627 NA MeJP NA NA +MJ064695 Glucosulfamide C13H22N2O11S2 446.0665 NA MeJP NA NA +MJ064696 Mollicellin C; 2-Chloro C22H19ClO8 446.076845 NA MeJP NA NA +MJ064697 Bromosphaerol C20H32Br2O 446.08199 NA MeJP NA NA +MJ064698 Iriediol; 7-Deoxy C20H32Br2O 446.08199 NA MeJP NA NA +MJ064699 Kahukuene B C20H32Br2O 446.08199 NA MeJP NA NA +C10025 Baicalin C21H18O11 446.0849 NA KEGG NA NA +FL3FA8GS0001 5,7,2'-Trihydroxyflavone 7-glucuronide C21H18O11 446.08491 75853-73-5 knapsack NA NA +FL3FAAGS0009 Apigenin 7-glucuronide C21H18O11 446.08491 29741-09-1 knapsack NA NA +FL3FAAGS0010 Apigenin 7-galacturonide C21H18O11 446.08491 56317-11-4 knapsack NA NA +FL3FAAGS0015 Apigenin 4'-glucuronide C21H18O11 446.08491 51771-57-4 knapsack NA NA +FL3FE9GS0001 Baicalin;Baicalein 7-glucuronide C21H18O11 446.08491 21967-41-9 knapsack NA NA +FL3FE9GS0003 Baicalein 6-glucuronide C21H18O11 446.08491 35990-03-5 knapsack NA NA +FL3FF9GS0001 Norwogonin 7-glucuronide C21H18O11 446.08491 119152-50-0 knapsack NA NA +FL3FF9GS0002 Norwogonin 8-glucuronide C21H18O11 446.08491 118525-47-6 knapsack NA NA +MJ064700 2',5,7-Trihydroxyflavone; 7-O-?-D-Glucuronopyranoside C21H18O11 446.084911 NA MeJP NA NA +MJ064701 3',4',7-Trihydroxyflavone; 7-O-?-D-Glucuronopyranoside C21H18O11 446.084911 NA MeJP NA NA +MJ064702 4',5,7-Trihydroxyflavone; 4'-O-?-D-Glucuronopyranoside C21H18O11 446.084911 NA MeJP NA NA +MJ064703 4',5,7-Trihydroxyflavone; 7-O-?-D-Galacturonopyranoside C21H18O11 446.084911 NA MeJP NA NA +MJ064704 4',5,7-Trihydroxyflavone; 7-O-?-D-Glucuronopyranoside C21H18O11 446.084911 NA MeJP NA NA +MJ064705 4,5-Dihydroxyanthraquinone-2-carboxylic acid; 4-O-?-D-Glucopyranoside C21H18O11 446.084911 NA MeJP NA NA +MJ064706 4,5-Dihydroxyanthraquinone-2-carboxylic acid; 5-O-?-D-Glucopyranoside C21H18O11 446.084911 NA MeJP NA NA +MJ064707 4,5-Dihydroxyanthraquinone-2-carboxylic acid; ?-D-Glucopyranosyl ester C21H18O11 446.084911 NA MeJP NA NA +MJ064708 5,6,7-Trihydroxyflavone; 6-O-?-D-Glucuronopyranoside C21H18O11 446.084911 NA MeJP NA NA +MJ064709 5,6,7-Trihydroxyflavone; 7-O-?-D-Glucuronopyranoside C21H18O11 446.084911 NA MeJP NA NA +MJ064710 5,7,8-Trihydroxyflavone; 7-O-?-D-Glucuronoside C21H18O11 446.084911 NA MeJP NA NA +MJ064711 5,7,8-Trihydroxyflavone; 8-O-?-D-Glucuronoside C21H18O11 446.084911 NA MeJP NA NA +MJ064712 3',4',5,7-Tetrahydroxyflavylium(1+); 4'-O-?-D-Glucopyranuronoside C21H19O11(+) 446.084911 NA MeJP NA NA +MJ064713 Paederosidic acid; ?-Lactone C18H22O11S 446.088282 NA MeJP NA NA +C09795 Paederoside C18H22O11S 446.0883 NA KEGG NA NA +C06566 Cephamycin C C16H22N4O9S 446.1107 NA KEGG NA NA +C06567 Penicilloic acid C8H13N2O4SR 446.1107 NA KEGG NA NA +MJ064714 Cephamycin C C16H22N4O9S 446.110749 NA MeJP NA NA +PARAC007 Cyst Paracetamol glucuronide NA 446.1118 RT3.8 PFEM_hmdb_metabocards_urine NA urine +PARAC007 Cyst Paracetamol glucuronide NA 446.1118 RT3.8 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC007 Cyst Paracetamol glucuronide NA 446.1118 RT3.8 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC007 Cyst Paracetamol glucuronide NA 446.1118 RT3.8 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC007 Cyst Paracétamol glucuronide NA 446.1118 RT3.8 HMDB NA NA +PARAC007 Cyst Paracetamol glucuronide NA 446.1118 RT3.8 Inhouse_PFEM NA NA +PARAC007 Cyst Paracetamol glucuronide NA 446.1118 RT3.8 PFEM_hmdb_metabocards_blood NA blood +PARAC007 Cyst Paracetamol glucuronide NA 446.1118 RT3.8 PFEM_hmdb_metabocards_official NA NA +MJ064715 Nicafenine C24H19ClN4O3 446.114568 NA MeJP NA NA +FL3F1CGS0004 7,4'-Dihydroxy-3'-methoxyflavone 7-glucoside C22H22O10 446.12129 33275-43-3 knapsack NA NA +FL3FA8GS0002 Echioidin C22H22O10 446.12129 6736-71-6 knapsack NA NA +FL3FA8GS0004 Echioidinin 5-O-glucoside;5,2'-Dihydroxy-7-methoxyflavone 5-glucoside;5-(beta-D-Glucopyranosyloxy)-2-(2-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C22H22O10 446.12129 220170-97-8 knapsack NA NA +FL3FABCS0001 Isocytisoside;Acacetin-6-C-glucoside;6-beta-D-Glucopyranosyl-5,7-dihydroxy-4'-methoxyflavone;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C22H22O10 446.12129 4328-19-2 knapsack NA NA +FL3FABCS0002 Cytisoside;Trematin;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C22H22O10 446.12129 2326-34-3 knapsack NA NA +FL3FABGS0001 Acacetin 7-glucoside;Apigenin 4'-methyl ether 7-glucoside;tilianin;moldavoside C22H22O10 446.12129 4291-60-5 knapsack NA NA +FL3FABGS0002 Acacetin 7-galactoside C22H22O10 446.12129 35013-09-3 knapsack NA NA +FL3FACGM0001 3-C-Methylluteolin 5-rhamnoside C22H22O10 446.12129 87339-64-8 knapsack NA NA +FL3FADGS0003 Luteolin 3'-methyl ether 7-rhamnoside C22H22O10 446.12129 61110-08-5 knapsack NA NA +FL3FCACS0003 Swertisin;6-beta-D-Glucopyranosyl-4',5-dihydroxy-7-methoxyflavone;7-O-Methylapigenin 6-C-beta-D-glucopyranoside;Flavocommelitin;6-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C22H22O10 446.12129 02/10/6991 knapsack NA NA +FL3FCACS0004 Isoswertisin;7-O-Methylvitexin;Isoflavocommelitin;8-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C22H22O10 446.12129 6980-40-1 knapsack NA NA +FL3FCAGS0001 Apigenin 7-methyl ether 5-glucoside C22H22O10 446.12129 552-52-3 knapsack NA NA +FL3FCAGS0002 Apigenin 7-methyl ether 4'-glucoside C22H22O10 446.12129 20486-36-6 knapsack NA NA +FL3FCCGS0002 Luteolin 7-methyl ether 4'-rhamnoside C22H22O10 446.12129 31159-36-1 knapsack NA NA +FL3FE9GS0005 Baicalein 6-methyl ether 7-glucoside C22H22O10 446.12129 36948-77-3 knapsack NA NA +FL3FE9GS0010 6,7-Dihydroxy-5-methoxyflavone 7-glucoside C22H22O10 446.12129 150036-31-0 knapsack NA NA +FL3FE9GS0014 5,6-Dihydroxy-7-methoxyflavone 6-O-beta-D-glucopyranoside;6-(beta-D-Glucopyranosyloxy)-5-hydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one C22H22O10 446.12129 160089-52-1 knapsack NA NA +FL3FEAGS0046 Hispidulin 7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one C22H22O10 446.12129 169307-34-0 knapsack NA NA +FL3FF9GS0003 Wogonin 5-glucoside C22H22O10 446.12129 80366-14-9 knapsack NA NA +FL3FF9GS0004 Wogonin 7-glucoside C22H22O10 446.12129 - knapsack NA NA +FL5F2AGS0001 3,6,7-Trihydroxy-4'-methoxyflavone 7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3,6-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C22H22O10 446.12129 165747-37-5 knapsack NA NA +FL5FA9GS0004 Galangin 3-methyl ether 7-glucoside C22H22O10 446.12129 - knapsack NA NA +FL5FABGS0002 Kaempferide 3-rhamnoside;Kaempferol 4'-methyl ether 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C22H22O10 446.12129 148435-12-5 knapsack NA NA +FL5FCAGS0002 Rhamnocitrin 3-rhamnoside C22H22O10 446.12129 57525-01-6 knapsack NA NA +FL5FDAGS0002 Isokaempferide 7-rhamnoside C22H22O10 446.12129 94617-15-9 knapsack NA NA +FL5FFLNS0007 5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate C22H22O10 446.12129 83159-17-5 knapsack NA NA +FLIA1CCS0002 Pueraria glycoside 3 C22H22O10 446.12129 117047-07-1 knapsack NA NA +FLIA1CGS0003 Calycosin 7-O-glucoside C22H22O10 446.12129 20633-67-4 knapsack NA NA +FLIA1CGS0006 Calycosin 7-O-galactoside C22H22O10 446.12129 114272-30-9 knapsack NA NA +FLIA2AGS0002 Texasin 7-O-glucoside C22H22O10 446.12129 20314-21-0 knapsack NA NA +FLIA2AGS0003 Glycitein 7-O-glucoside;Glycitin C22H22O10 446.12129 40246-10-4 knapsack NA NA +FLIA3AGS0004 Retusin 7-O-glucoside C22H22O10 446.12129 88607-81-2 knapsack NA NA +FLIAABGS0001 Biochanin A 7-O-glucoside;Astroside;Sissotrin C22H22O10 446.12129 5928-26-7 knapsack NA NA +FLIABAGS0001 5-O-Methylgenistein 7-O-glucoside C22H22O10 446.12129 128856-77-9 knapsack NA NA +FLIACACS0001 Prunetin 8-C-glucoside C22H22O10 446.12129 52448-12-1 knapsack NA NA +FLIACAGS0001 Prunetin 4'-O-glucoside;Prunetrin;Prunitrin;Prunitroside;Trifoside C22H22O10 446.12129 154-36-9 knapsack NA NA +FLIACAGS0002 Prunetin 5-O-glucoside;Prunetinoside C22H22O10 446.12129 89595-66-4 knapsack NA NA +FLIACAGS0003 Prunetin 4'-O-galactoside C22H22O10 446.12129 117007-27-9 knapsack NA NA +FLID1CGS0001 (+)-Maackiain 3-O-glucoside;Sophojaponicin C22H22O10 446.12129 30142-39-3 knapsack NA NA +FLID1CGS0002 (-)-Maackiain 3-O-glucoside;Trifolirhizin;Sophojaponicin B1 C22H22O10 446.12129 6807-83-6 knapsack NA NA +FLID1CGS0003 Maackiain 3-O-galactoside C22H22O10 446.12129 114761-94-3 knapsack NA NA +FLNACAGS0001 5,4'-Dihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside C22H22O10 446.12129 129369-35-3 knapsack NA NA +MJ064716 1,2,8-Trihydroxy-3-methylanthraquinone; 1-Me ether, 2-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064717 1,3,5,8-Tetrahydroxy-2-methylanthraquinone; 5-Me ether, 8-O-?-L-rhamnopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064718 1,3,5,8-Tetrahydroxy-2-methylanthraquinone; 8-Me ether, 3-O-?-L-rhamnopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064719 1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 1-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064720 1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 8-O-?-D-galactopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064721 1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 8-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064722 1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064723 1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1-Me ether, 1'-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064724 1,8-Dihydroxy-3-hydroxymethyl-10-lyxosyl-9(10H)-anthracenone; 1'-Ac C22H22O10 446.121296 NA MeJP NA NA +MJ064725 2',3,3',4',5,7,8-Heptahydroxyflavone; 2',3,3',4',7-Penta-Me ether, 8-Ac C22H22O10 446.121296 NA MeJP NA NA +MJ064726 2',4',6-Trihydroxyisoflavone; 2'-Me ether, 6-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064727 2',5,7-Trihydroxyflavone; 7-Me ether, 2'-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064728 2',5,7-Trihydroxyflavone; 7-Me ether, 5-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064729 3',4',5,7-Tetrahydroxy-3-methylflavone; 5-O-?-L-Rhamnoside C22H22O10 446.121296 NA MeJP NA NA +MJ064730 3',4',5-Trihydroxy-7-methoxyflavone; 4'-O-?-L-Rhamnopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064731 3',4',7-Trihydroxyflavone; 3'-Me ether, 7-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064732 3',4',7-Trihydroxyisoflavone; 3'-Me ether, 7-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064733 3',4',7-Trihydroxyisoflavone; 4'-Me ether, 7-O-?-D-galactopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064734 3',4',7-Trihydroxyisoflavone; 4'-Me ether, 7-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064735 3',5',7-Trihydroxyisoflavone; 3'-Me ether, 7-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064736 3',5,7-Trihydroxyisoflavone; 3'-Me ether, 7-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064737 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,3',4',5,5',8-Hexa-Me, 6,7-methylene ether C22H22O10 446.121296 NA MeJP NA NA +MJ064738 3,4',5,6,7-Pentahydroxyflavone; 4'-Me ether, 7-O-?-D-galactopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064739 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-?-L-Rhamnopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064740 3,4',6,7-Tetrahydroxyflavone; 4'-Me ether, 7-O-?-L-rhamnopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064741 3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-L-Rhamnopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064742 3,5,7-Trihydroxy-4'-methoxyflavone; 7-O-?-L-Rhamnopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064743 3,5,7-Trihydroxyflavone; 3-Me ether, 7-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064744 3-Glucopyranosyl-4',5,7-trihydroxyflavone; 4'-Me ether C22H22O10 446.121296 NA MeJP NA NA +MJ064745 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-?-L-Rhamnopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064746 4',5,7-Trihydroxy-3-methoxyflavone; 7-O-?-L-Rhamnopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064747 4',5,7-Trihydroxy-6-methoxyflavone; 7-O-?-L-Rhamnopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064748 4',5-Dihydroxy-7-methoxyflavone; 4'-O-?-D-Galactopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064749 4',5-Dihydroxy-7-methoxyflavone; 4'-O-?-D-Glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064750 4',5-Dihydroxy-7-methoxyflavone; 5-O-?-D-Glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064751 4',5-Dihydroxy-7-methoxyisoflavone; 4'-O-?-D-Galactopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064752 4',5-Dihydroxy-7-methoxyisoflavone; 4'-O-?-D-Glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064753 4',5-Dihydroxy-7-methoxyisoflavone; 5-O-?-D-Glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064754 4',6,7-Trihydroxyisoflavone; 4'-Me ether, 7-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064755 4',6,7-Trihydroxyisoflavone; 6-Me ether, 7-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064756 4',7,8-Trihydroxyisoflavone; 4'-Me ether, 7-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064757 4',7-Dihydroxy-5-methoxyisoflavone; 4'-O-?-D-Glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064758 4',7-Dihydroxy-5-methoxyisoflavone; 7-O-?-D-Glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064759 5,6,7-Trihydroxyflavone; 5-Me ether, 7-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064760 5,6,7-Trihydroxyflavone; 7-Me ether, 6-O-?-D-glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064761 5,7-Dihydroxy-4'-methoxyflavone; 5-O-?-D-Glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064762 5,7-Dihydroxy-4'-methoxyflavone; 7-O-?-D-Galactopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064763 5,7-Dihydroxy-4'-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064764 5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-?-D-Glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064765 5,7-Dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one; 7-Me ether, 5-O-?-D-galactopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064766 5,7-Dihydroxy-6-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064767 5,7-Dihydroxy-8-methoxyflavone; 5-O-?-D-Glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064768 5,7-Dihydroxy-8-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064769 5-Hydroxy-3,3',6,7,8-pentamethoxy-4',5'-methylenedioxyflavone; 5-Me ether C22H22O10 446.121296 NA MeJP NA NA +MJ064770 7-Glucosyl-4',5,8-trihydroxyflavone; 4'-Me ether C22H22O10 446.121296 NA MeJP NA NA +MJ064771 8-Glucopyranosyl-3',4',7-trihydroxyisoflavone; 3'-Me ether C22H22O10 446.121296 NA MeJP NA NA +MJ064772 8-Glucopyranosyl-4',5,7-trihydroxyisoflavone; 7-Me ether C22H22O10 446.121296 NA MeJP NA NA +MJ064773 Granatomycin D C22H22O10 446.121296 NA MeJP NA NA +MJ064774 Griseusin B C22H22O10 446.121296 NA MeJP NA NA +MJ064775 Isocytisoside C22H22O10 446.121296 NA MeJP NA NA +MJ064776 Maackiain, O-?-D-Glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064777 Maackiain, O-?-D-Galactopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064778 Maackiain, O-?-D-Glucopyranoside C22H22O10 446.121296 NA MeJP NA NA +MJ064779 Swertisin C22H22O10 446.121296 NA MeJP NA NA +MJ064780 Thomasic acid, 9'-Carboxylic acid C22H22O10 446.121296 NA MeJP NA NA +MJ064781 Vitexin; 4'-Me ether C22H22O10 446.121296 NA MeJP NA NA +MJ064782 Vitexin; 7-Me ether C22H22O10 446.121296 NA MeJP NA NA +MJ064783 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-?-L-Rhamnopyranoside C22H23O10(+) 446.121296 NA MeJP NA NA +MJ064784 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-?-L-Rhamnopyranoside C22H23O10(+) 446.121296 NA MeJP NA NA +MetaCyc03585 (-)-maackiain-3-O-glucoside [trifolirhizin;] C22H22O10 446.121297 NA metacyc NA NA +MetaCyc03586 biochanin A-7-O-glucoside [] C22H22O10 446.121297 NA metacyc NA NA +MetaCyc03587 biochanin A 7-O-β-D-glucoside [] C22H22O10 446.121297 NA metacyc NA NA +C05376 Biochanin A-beta-D-glucoside C22H22O10 446.1213 NA KEGG NA NA +C10381 Obtusifolin 2-glucoside C22H22O10 446.1213 NA KEGG NA NA +C10384 Physcion 8-glucoside C22H22O10 446.1213 NA KEGG NA NA +C10538 Trifolirhizin C22H22O10 446.1213 NA KEGG NA NA +C16195 Glycitin C22H22O10 446.1213 NA KEGG NA NA +HMDB02219 Glycitin C22H22O10 446.121307 NA HMDB2010 NA NA +HMDB02219 Glycitin C22H22O10 446.12131 http://www.hmdb.ca/metabolites/HMDB02219 HMDB NA NA +HMDB02219 Glycitin C22H22O10 446.12131 HMDB02219 PFEM_hmdb_metabocards_official NA NA +MJ064785 Febantel C20H22N4O6S 446.126005 NA MeJP NA NA +MJ064786 Fostriecin; 5-Hydroxy C19H27O10P 446.134183 NA MeJP NA NA +FL1DA9NC0013 Longicaudatin C26H22O7 446.13655 342882-02-4 knapsack NA NA +MJ064787 Longicaudatin C26H22O7 446.136553 NA MeJP NA NA +MJ064788 Rocaglatic acid; Decarboxy, 4'-demethoxy, 3',4'-methylenedioxy, 1-ketone C26H22O7 446.136553 NA MeJP NA NA +PJ001590 GCMH C16H26N6O5S2 446.1406 NA PeJP NA NA +MJ064789 2',4'-Dihydroxyacetophenone; 4'-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C19H26O12 446.142426 NA MeJP NA NA +MJ064790 2,4-Dihydroxybenzaldehyde; 4-Me ether, 2-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C19H26O12 446.142426 NA MeJP NA NA +MJ064791 2-Hydroxybenzaldehyde; O-[?-D-Allopyranosyl-(1?6)-?-D-allopyranoside] C19H26O12 446.142426 NA MeJP NA NA +MJ064792 2-Hydroxybenzoic acid; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside], Me ester C19H26O12 446.142426 NA MeJP NA NA +MJ064793 6-O-(3,4-Dihydroxycinnamoyl)glucose; ?-D-Pyranose-form, 2,3,4-Trihydroxybutyl glycoside C19H26O12 446.142426 NA MeJP NA NA +MJ064794 6-O-?-L-Rhamnopyranosyl-D-glucose; ?-Pyranose-form, 1-O-(4-Hydroxybenzoyl) C19H26O12 446.142426 NA MeJP NA NA +MJ064795 Asperuloside; 3?,4?-Dihydro, 3-methoxy C19H26O12 446.142426 NA MeJP NA NA +MJ064796 Erythritol; 1-O-[6-O-(3,4-Dihydroxycinnamoyl)-?-D-glucopyranoside] C19H26O12 446.142426 NA MeJP NA NA +MJ064797 Majoroside; 10-Acetoxy C19H26O12 446.142426 NA MeJP NA NA +MJ064798 Mandelic acid, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C19H26O12 446.142426 NA MeJP NA NA +MJ064799 Methyl 2-hydroxybenzoate; O-Primeveroside C19H26O12 446.142426 NA MeJP NA NA +MJ064800 Monotropein; 10-Ac, Me ester C19H26O12 446.142426 NA MeJP NA NA +MJ064801 Sucrose; 1'-O-Benzoyl C19H26O12 446.142426 NA MeJP NA NA +MJ064802 3,4-Dichloro-N-methyl-N-[1,2,3,4-tetrahydro-5-methoxy-2-(1-pyrrolidinyl)-1-naphthalenyl]benzeneacetamide C24H28Cl2N2O2 446.152783 NA MeJP NA NA +FL2FF9GS0004 5-Hydroxy-7,8-dimethoxyflavanone 5-rhamnoside C23H26O9 446.15768 286476-45-7 knapsack NA NA +MJ064803 2-(4-Hydroxyphenyl)ethanol; 1-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] C23H26O9 446.157682 NA MeJP NA NA +MJ064804 3,6:7,8-Diepoxy-13-hydroxy-18-oxo-3,5,11,15-cembratetraen-20,10-olide, 18-Carboxylic acid, 11?,12?-epoxide, 13-Ac, Me ester C23H26O9 446.157682 NA MeJP NA NA +MJ064805 4',5,7-Trihydroxyflavanone, 4',7-Di-Me ether, 5-O-?-L-rhamnopyranoside C23H26O9 446.157682 NA MeJP NA NA +MJ064806 4-Hydroxy-4-(2-hydroxyethyl)-2,5-cyclohexadien-1-one; 2'-O-(6-O-Cinnamoyl-?-D-glucopyranoside)(E-) C23H26O9 446.157682 NA MeJP NA NA +MJ064807 5,7-Dihydroxy-6,8-dimethylflavanone, 7-O-?-D-Glucopyranoside C23H26O9 446.157682 NA MeJP NA NA +MJ064808 Alnumycin; 7-Methoxy C23H26O9 446.157682 NA MeJP NA NA +MJ064809 Isobrachycalyxolide C23H26O9 446.157682 NA MeJP NA NA +MJ064810 Pneumatopterin C C23H26O9 446.157682 NA MeJP NA NA +MJ064811 Podorhizol, 5'-Methoxy C23H26O9 446.157682 NA MeJP NA NA +PJ001591 STCH C16H26N6O7S 446.1584 NA PeJP NA NA +MJ064812 Ersentilide C21H26N4O5S 446.16239 NA MeJP NA NA +PJ001592 SPDE C17H26N4O10 446.1649 NA PeJP NA NA +PJ001593 PPCM C18H30N4O5S2 446.1658 NA PeJP NA NA +CJneg0604 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M-H)]- (13C2) C1813C2H27O11 446.170425 C18rt(min)=8.68 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0604 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M-H)]- (13C2) C1813C2H27O11 446.170425 C18rt(min)=8.68 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ064813 Achlisocoumarin IV C27H26O6 446.172938 NA MeJP NA NA +PJ001594 GNQE C16H26N6O9 446.1761 NA PeJP NA NA +PJ001595 GGGQE C16H26N6O9 446.1762 NA PeJP NA NA +MJ064814 -Hydroxybenzyl alcohol; 4-Me ether, ?-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C20H30O11 446.178811 NA MeJP NA NA +MJ064815 1-(4-Hydroxyphenyl)ethanol, 4'-O-Rutinoside C20H30O11 446.178811 NA MeJP NA NA +MJ064816 1-Phenyl-1,2-ethanediol, 2-O-[?-L-Rhamnopyranosyl-(1?6)-glucoside] C20H30O11 446.178811 NA MeJP NA NA +MJ064817 2-(4-Hydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C20H30O11 446.178811 NA MeJP NA NA +MJ064818 2-(4-Hydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] C20H30O11 446.178811 NA MeJP NA NA +MJ064819 2-Phenylethanol; O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C20H30O11 446.178811 NA MeJP NA NA +MJ064820 Hedyoside C20H30O11 446.178811 NA MeJP NA NA +MJ064821 Thioproperazine C22H30N4O2S2 446.181017 NA MeJP NA NA +PJ001596 APEM C18H30N4O7S 446.1835 NA PeJP NA NA +MJ064822 Camptothecin, O-Hexanoyl C26H26N2O5 446.184171 NA MeJP NA NA +MJ064823 Naphthomevalin C25H31ClO5 446.186001 NA MeJP NA NA +PJ001597 NQW C20H26N6O6 446.1914 NA PeJP NA NA +HMDB04483 Estrone glucuronide C24H30O8 446.19406 http://www.hmdb.ca/metabolites/HMDB04483 HMDB NA NA +HMDB04483 Estrone glucuronide C24H30O8 446.19406 HMDB04483 PFEM_hmdb_metabocards_official NA NA +HMDB04483 Estrone glucuronide C24H30O8 446.194061 NA HMDB2010 NA NA +MJ064824 1,12:4,18:15,16-Triepoxy-6,7-dihydroxy-13(16),14-clerodadien-3-one, Di-Ac C24H30O8 446.194067 NA MeJP NA NA +MJ064825 1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-Tigloyl, 1,3-di-Ac C24H30O8 446.194067 NA MeJP NA NA +MJ064826 11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; enol-form, 16-Acetoxy, 11-Ac C24H30O8 446.194067 NA MeJP NA NA +MJ064827 3,3',4,4',5,7',9-Heptahydroxy-7,9'-epoxylignan, 7'-Ketone, hexa-Me ether C24H30O8 446.194067 NA MeJP NA NA +MJ064828 4,18-Epoxy-6,19-dihydroxy-1-oxo-2,13-clerodadien-15,16-olide, Di-Ac C24H30O8 446.194067 NA MeJP NA NA +MJ064829 4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-6,19,20-triol, 6-Ketone, 19,20-di-Ac C24H30O8 446.194067 NA MeJP NA NA +MJ064830 4,18:15,16-Diepoxy-6,19-dihydroxy-13(16),14-clerodadien-20,12-olide, Di-Ac C24H30O8 446.194067 NA MeJP NA NA +MJ064831 5-Hydroxy-1,7-bis(4-hydroxyphenyl)-3-heptanone, 5-O-?-D-Xylopyranoside C24H30O8 446.194067 NA MeJP NA NA +MJ064832 7-Protoilludene-1,5,6,9,14-pentol, 14-Aldehyde, 5-(2-hydroxy-4-methoxy-6-methylbenzoyl) C24H30O8 446.194067 NA MeJP NA NA +MJ064833 8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 9-angeloyl C24H30O8 446.194067 NA MeJP NA NA +MJ064834 9,10-Dihydro-4-(hydroxymethyl)-1,8-dimethyl-2,7-phenanthrenediol; 2-Me ether, 1'-O-?-D-glucopyranoside C24H30O8 446.194067 NA MeJP NA NA +MJ064835 Aemulin BB C24H30O8 446.194067 NA MeJP NA NA +MJ064836 Aurovertin B; 1''-Demethyl C24H30O8 446.194067 NA MeJP NA NA +MJ064837 Barbatusin C24H30O8 446.194067 NA MeJP NA NA +MJ064838 Caesalpinin C24H30O8 446.194067 NA MeJP NA NA +MJ064839 Coleon O; 19-Acetoxy C24H30O8 446.194067 NA MeJP NA NA +MJ064840 Desaspidins; Desaspidin BB C24H30O8 446.194067 NA MeJP NA NA +MJ064841 Dunnianin; 3-Deacyl, 3-Ac, 7-benzoyl C24H30O8 446.194067 NA MeJP NA NA +MJ064842 Epiphorellic acid 3 C24H30O8 446.194067 NA MeJP NA NA +MJ064843 Orthodesaspidin C24H30O8 446.194067 NA MeJP NA NA +MJ064844 Peperomin C C24H30O8 446.194067 NA MeJP NA NA +MJ064845 Phloraspidinol C24H30O8 446.194067 NA MeJP NA NA +MJ064846 Plectranthone L C24H30O8 446.194067 NA MeJP NA NA +MJ064847 Ramalinolic acid; 2-Me ether C24H30O8 446.194067 NA MeJP NA NA +MJ064848 Ramalinolic acid; 4'-Me ether C24H30O8 446.194067 NA MeJP NA NA +MJ064849 Ramalinolic acid; O-De-Me, 2,4'-di-Me ether C24H30O8 446.194067 NA MeJP NA NA +MJ064850 Saroaspidin A C24H30O8 446.194067 NA MeJP NA NA +MJ064851 Secoisolariciresinol, 9,9'-Di-Ac C24H30O8 446.194067 NA MeJP NA NA +MJ064852 Yangambin C24H30O8 446.194067 NA MeJP NA NA +C10894 Yangambin C24H30O8 446.1941 NA KEGG NA NA +C11133 Estrone glucuronide C24H30O8 446.1941 NA KEGG NA NA +MJ064853 3-[1,1'-Biphenyl]-4-yl-N-[N-(hydroxypropylphosphinyl)valyl]alanine C23H31N2O5P 446.197058 NA MeJP NA NA +PJ001598 GLEE C18H30N4O9 446.2013 NA PeJP NA NA +PJ001599 GPHH C19H26N8O5 446.2026 NA PeJP NA NA +8007 synthetic peptide LWE 446.205 antibacterial Inhouse_peptide NA peptide +8228 ACE inhibitor IEW 446.205 NA ;SYN:(2S)-2-Aminopropanoate; (2S)-2-Aminopropanoic acid; (S)-(+)-Alanine; (S)-2-Aminopropanoate; (S)-2-Aminopropanoic acid; (S)-2-amino-Propanoate; (S)-2-amino-Propanoic acid; (S)-Alanine; 2-Aminopropanoate; 2-Aminopropanoic acid; 2-Aminopropionate; 2-Aminopropionic acid; 2-Ammoniopropanoate; Ala; Alanine; L-(+)-Alanine; L-2-Aminopropanoate; L-2-Aminopropanoic acid; L-2-Aminopropionate; L-2-Aminopropionic acid; L-a-Alanine; L-a-Aminopropionate; L-a-Aminopropionic acid; a-Alanine; a-Aminopropionate; a-Aminopropionic acid; alpha-Aminopropanoate; alpha-Aminopropanoic acid; L-alpha-Alanine; L-alpha-Aminopropionate; L-alpha-Aminopropionic acid; alpha-Alanine; alpha-Aminopropionate; alpha-Aminopropionic acid; 2-Ammoniopropanoic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +MJ064854 Gardneramine oxindole; 16-Hydroxy C23H30N2O7 446.205301 NA MeJP NA NA +MJ064855 Antibiotic FR 111142; 4,7-Deepoxy, 4-chloro, 7-hydroxy C22H35ClO7 446.207131 NA MeJP NA NA +MJ064856 Apetalinone B C28H30O5 446.209324 NA MeJP NA NA +MJ064857 Batukinaxanthone C28H30O5 446.209324 NA MeJP NA NA +MJ064858 Dombakinaxanthone C28H30O5 446.209324 NA MeJP NA NA +PJ001600 GNKE C17H30N6O8 446.2125 NA PeJP NA NA +MJ064859 2-Pinen-10-ol, O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C21H34O10 446.215197 NA MeJP NA NA +MJ064860 Ebuloside; 7?-Alcohol C21H34O10 446.215197 NA MeJP NA NA +MJ064861 Penstemide; 7,8?-Dihydro C21H34O10 446.215197 NA MeJP NA NA +MJ064862 Valerosidatum; 7-Deoxy, 8-epimer C21H34O10 446.215197 NA MeJP NA NA +PJ001601 LEW C22H30N4O6 446.2166 NA PeJP NA NA +PJ001602 SPLM C19H34N4O6S 446.2199 NA PeJP NA NA +PJ001603 GSQR C16H30N8O7 446.2238 NA PeJP NA NA +PJ001604 NKW C21H30N6O5 446.2278 NA PeJP NA NA +MJ064863 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 3-(2-Methylbutanoyl), 8-angeloyl C25H34O7 446.230453 NA MeJP NA NA +MJ064864 1,10:4,5-Diepoxy-3,6,8-trihydroxy-11-germacren-9-one, 8-Deoxy, diangeloyl C25H34O7 446.230453 NA MeJP NA NA +MJ064865 12,13-Dihydroxy-18-oxo-5,8,10,14,16-eicosapentaenoic acid, Di-Ac, Me ester C25H34O7 446.230453 NA MeJP NA NA +MJ064866 14,15-Epoxy-5(15)-isocedrene-9,12,14-triol, 12-Ketone, 9-(2-methylbutanoyl), 14-(3-methylbutanoyl) C25H34O7 446.230453 NA MeJP NA NA +MJ064867 14,15-Epoxy-5(15)-isocedrene-9,12,14-triol, 12-Ketone, 9-(3-methylbutanoyl), 14-(2-methylbutanoyl) C25H34O7 446.230453 NA MeJP NA NA +MJ064868 14,15-Epoxy-5(15)-isocedrene-9,12,14-triol, 9-(3-Methyl-2-butenoyl), 14-(2-methylbutanoyl) C25H34O7 446.230453 NA MeJP NA NA +MJ064869 15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 18-Malonyl, 19-Ac C25H34O7 446.230453 NA MeJP NA NA +MJ064870 17,18-Epoxy-11,18-dihydroxy-1(19),6,10(17),13-xenicatetraen-15-oic acid; Di-Ac, Me ester C25H34O7 446.230453 NA MeJP NA NA +MJ064871 2,4,9-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2,4-Diangeloyl C25H34O7 446.230453 NA MeJP NA NA +MJ064872 2,7,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 2-Propanoyl, 14-Ac C25H34O7 446.230453 NA MeJP NA NA +MJ064873 3,4-Epoxy-2,8-dihydroxy-10-guaien-12,6-olide, 8-Angeloyl, 2-(2-methylbutanoyl) C25H34O7 446.230453 NA MeJP NA NA +MJ064874 3,4:10,11-Diepoxy-1,8-dihydroxy-7(14)-bisabolen-2-one, Diangeloyl C25H34O7 446.230453 NA MeJP NA NA +MJ064875 3,4:15,16-Diepoxy-6,10-dihydroxy-13(16),14-clerodadien-20,12-olide, 6-(2-Methylbutanoyl) C25H34O7 446.230453 NA MeJP NA NA +MJ064876 3,6-Dihydroxy-10-oxo-11-kempen-20-oic acid, Di-Ac, Me ester C25H34O7 446.230453 NA MeJP NA NA +MJ064877 3,6-Dihydroxyfuranoeremophilan-15-oic acid, 3-Angeloyl, 6-(2-methylpropanoyl), Me ester C25H34O7 446.230453 NA MeJP NA NA +MJ064878 4,6-Dihydroxy-8-daucen-10-one, 6-(3,4,5-Trimethoxybenzoyl) C25H34O7 446.230453 NA MeJP NA NA +MJ064879 6,7-Dihydroxy-17-vouacapanoic acid, 6,7-Di-Ac, Me ester C25H34O7 446.230453 NA MeJP NA NA +MJ064880 7,8-Epoxy-2-hydroxy-9,12-dioxo-5,13-briaradien-18-oic acid; 2-Butanoyl, Me ester C25H34O7 446.230453 NA MeJP NA NA +MJ064881 8,10,11-Trihydroxy-3-guaien-12,6-olide, 8,11-Diangeloyl C25H34O7 446.230453 NA MeJP NA NA +MJ064882 8-Daucene-2,4,6,10-tetrol, 6-(4-Methoxybenzoyl), 2-Ac C25H34O7 446.230453 NA MeJP NA NA +MJ064883 9,10-Epoxy-p-mentha-1,3,5-triene-3,7,8-triol; 3-Angeloyl, 7,8-bis-(2-methylbutanoyl) C25H34O7 446.230453 NA MeJP NA NA +MJ064884 Atranone A; 13-Methoxy C25H34O7 446.230453 NA MeJP NA NA +MJ064885 Clavulones C25H34O7 446.230453 NA MeJP NA NA +MJ064886 Eupodienone 2; 9-Et ether C25H34O7 446.230453 NA MeJP NA NA +MJ064887 Glycinoeclepin A C25H34O7 446.230453 NA MeJP NA NA +MJ064888 Macrophorin A; 4'-O-Malonyl C25H34O7 446.230453 NA MeJP NA NA +MJ064889 Macrophorin A; 7'-O-Malonyl C25H34O7 446.230453 NA MeJP NA NA +MJ064890 Macrophorin A; Deepoxy, 6'?-hydroxy, 4'-ketone, 7'-O-malonyl C25H34O7 446.230453 NA MeJP NA NA +MJ064891 Macrophorin F C25H34O7 446.230453 NA MeJP NA NA +MJ064892 Marinosin C25H34O7 446.230453 NA MeJP NA NA +MJ064893 Pyrrhopappolide; 6?-Angeloyloxy, 10?-alcohol C25H34O7 446.230453 NA MeJP NA NA +C09468 Gradolide C25H34O7 446.2305 NA KEGG NA NA +C13810 Clavulone I C25H34O7 446.2305 NA KEGG NA NA +C13811 Transferred to D02145 C25H34O7 446.2305 NA KEGG NA NA +C13812 Clavulone II C25H34O7 446.2305 NA KEGG NA NA +C13813 Clavulone III C25H34O7 446.2305 NA KEGG NA NA +C13814 Clavulone IV C25H34O7 446.2305 NA KEGG NA NA +PJ001605 SVLE C19H34N4O8 446.2377 NA PeJP NA NA +MJ064894 Arthogalin C24H34N2O6 446.241686 NA MeJP NA NA +C11602 MC-207,110 C25H30N6O2 446.243 NA KEGG NA NA +MJ064895 15-Hydroxy-9(11),16-kauradien-19-oic acid, O-Cinnamoyl C29H34O4 446.245709 NA MeJP NA NA +MJ064896 Artocarpol E C29H34O4 446.245709 NA MeJP NA NA +MJ064897 Mulberrofuran D C29H34O4 446.245709 NA MeJP NA NA +MJ064898 Mulberrofuran W C29H34O4 446.245709 NA MeJP NA NA +MJ064899 Fluocortin; Butyl ester C26H35FO5 446.246852 NA MeJP NA NA +MJ064900 Usambarensine; Nb-Me C30H31N4(+) 446.247047 NA MeJP NA NA +PJ001606 GDKK C18H34N6O7 446.2489 NA PeJP NA NA +PJ001607 APLF C23H34N4O5 446.2529 NA PeJP NA NA +PJ001608 ALLM C20H38N4O5S 446.2563 NA PeJP NA NA +PJ001609 GSKR C17H34N8O6 446.2602 NA PeJP NA NA +MJ064901 1(15),8(19)-Trinervitadiene-2,3,14-triol, Tri-Ac C26H38O6 446.266838 NA MeJP NA NA +MJ064902 1-Acetoxy-7-acetoxymethyl-3-acetoxymethylene-11,15-dimethyl-1,6,10,14-hexadecatetraene C26H38O6 446.266838 NA MeJP NA NA +MJ064903 11,12-Epoxy-7-drimene-2,3,11-triol, 2-Angeloyl, 3-(2-methyl-2-pentenoyl) C26H38O6 446.266838 NA MeJP NA NA +MJ064904 11,17,21-Trihydroxypregn-4-ene-3,20-dione, 17-Pentanoyl C26H38O6 446.266838 NA MeJP NA NA +MJ064905 11-Eremophilene-3,8,9-triol, 8-Ketone, 3-(4-angeloyloxy-2Z-hexenoyl) C26H38O6 446.266838 NA MeJP NA NA +MJ064906 11-Eremophilene-3,8,9-triol, 8-Ketone, 3-(5-angeloyloxy-2Z-hexenoyl) C26H38O6 446.266838 NA MeJP NA NA +MJ064907 16-Kaurene-3,7,18-triol, Tri-Ac C26H38O6 446.266838 NA MeJP NA NA +MJ064908 3,14,16-Trihydroxycard-20(22)-enolide, 16-Propanoyl C26H38O6 446.266838 NA MeJP NA NA +MJ064909 3,9-Dihydroxy-7(11)-eremophilen-8-one, 3-(4-Angeloyloxy-2Z-hexenoyl) C26H38O6 446.266838 NA MeJP NA NA +MJ064910 3,9-Dihydroxy-7(11)-eremophilen-8-one, 3-(5-Angeloyloxy-2Z-hexenoyl) C26H38O6 446.266838 NA MeJP NA NA +MJ064911 7,15-Isopimaradiene-3,19-diol, 19-O-(4-Deoxy-?-D-threo-hex-4-enodialdopyranoside) C26H38O6 446.266838 NA MeJP NA NA +MJ064912 8(14),15-Isopimaradiene-1,7,11-triol, Tri-Ac C26H38O6 446.266838 NA MeJP NA NA +MJ064913 8,10,12,14-Epiamphilectatetraene-9,10-diol, 10-O-?-L-Fucopyranoside C26H38O6 446.266838 NA MeJP NA NA +MJ064914 8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-?-L-Fucopyranoside C26H38O6 446.266838 NA MeJP NA NA +MJ064915 9,11,15-Trihydroxy-16-kauren-19-oic acid, 15-Angeloyl, Me ester C26H38O6 446.266838 NA MeJP NA NA +MJ064916 Antibiotic CJ 13103 C26H38O6 446.266838 NA MeJP NA NA +MJ064917 Decinnamoyljolkinol B; 3-(2-Methylpropanoyl), 15-Ac C26H38O6 446.266838 NA MeJP NA NA +MJ064918 Tyromycin A C26H38O6 446.266838 NA MeJP NA NA +PJ001610 TTLL C20H38N4O7 446.2741 NA PeJP NA NA +MJ064919 Myriopterosin C30H38O3 446.282095 NA MeJP NA NA +MJ064920 Mutamicin 5 C19H38N6O6 446.285282 NA MeJP NA NA +PJ001611 ATKK C19H38N6O6 446.2853 NA PeJP NA NA +C16497 3-Dehydro-2-deoxyecdysone C27H42O5 446.3032 NA KEGG NA NA +MJ064921 1,3,23,25-Tetrahydroxy-9,10-secocholesta-5,7,10(19)-trien-24-one C27H42O5 446.303224 NA MeJP NA NA +MJ064922 11-Eremophilene-3,8,9-triol, 3,9-Di-2Z-hexenoyl C27H42O5 446.303224 NA MeJP NA NA +MJ064923 14,22,25-Trihydroxycholest-7-ene-3,6-dione C27H42O5 446.303224 NA MeJP NA NA +MJ064924 16,24:20,24-Diepoxycholest-5-ene-3,22,25-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064925 2,3,20,22-Tetrahydroxycholesta-4,7-dien-6-one C27H42O5 446.303224 NA MeJP NA NA +MJ064926 2,3-Dihydroxyspirostan-12-one C27H42O5 446.303224 NA MeJP NA NA +MJ064927 2,5-Epoxyspirostane-3,6-diol C27H42O5 446.303224 NA MeJP NA NA +MJ064928 22,25-Epoxyfurost-5-ene-1,3,26-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064929 22,25-Epoxyfurostane-2,3,6,26-tetrol, 6-Deoxy, 5,6-didehydro C27H42O5 446.303224 NA MeJP NA NA +MJ064930 24,25-Epoxy-16-scalarene-12,19,25-triol, 12-Ac C27H42O5 446.303224 NA MeJP NA NA +MJ064931 24,25-Epoxy-16-scalarene-12,21,25-triol, 21-Ac C27H42O5 446.303224 NA MeJP NA NA +MJ064932 24,25-Epoxy-16-scalarene-3,12,25-triol, 12-Ac C27H42O5 446.303224 NA MeJP NA NA +MJ064933 3,23,25-Trihydroxy-9,10-secocholesta-5,7,10(19)-trien-26-oic acid C27H42O5 446.303224 NA MeJP NA NA +MJ064934 3,27-Dihydroxyspirostan-6-one C27H42O5 446.303224 NA MeJP NA NA +MJ064935 3,6-Dihydroxyspirostan-12-one C27H42O5 446.303224 NA MeJP NA NA +MJ064936 3,6-Dihydroxyspirostan-2-one C27H42O5 446.303224 NA MeJP NA NA +MJ064937 Allochionographolone C27H42O5 446.303224 NA MeJP NA NA +MJ064938 Chiograsterone; 5-Epimer, 11?-hydroxy C27H42O5 446.303224 NA MeJP NA NA +MJ064939 Cholest-8-ene-3,5,6,7,11-pentol, 7,11-Diketone C27H42O5 446.303224 NA MeJP NA NA +MJ064940 Daldinin A; Daldinin A1, 3,4-Dihydro C27H42O5 446.303224 NA MeJP NA NA +MJ064941 Isoallochionographolone C27H42O5 446.303224 NA MeJP NA NA +MJ064942 Isochionographolone C27H42O5 446.303224 NA MeJP NA NA +MJ064943 Juruenolide G C27H42O5 446.303224 NA MeJP NA NA +MJ064944 Leontogenin C27H42O5 446.303224 NA MeJP NA NA +MJ064945 Neomanoalide, 2,3-Dihydro, 24-Ac C27H42O5 446.303224 NA MeJP NA NA +MJ064946 Spirost-25(27)-ene-2,3,6-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064947 Spirost-4-ene-2,3,11-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064948 Spirost-5-ene-1,3,24-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064949 Spirost-5-ene-1,3,25-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064950 Spirost-5-ene-1,3,27-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064951 Spirost-5-ene-2,3,24-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064952 Spirost-5-ene-3,12,15-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064953 Spirost-5-ene-3,14,17-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064954 Spirost-5-ene-3,14,27-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064955 Spirost-5-ene-3,15,21-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064956 Spirost-5-ene-3,15,23-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064957 Spirost-5-ene-3,16,17-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064958 Spirost-5-ene-3,17,24-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064959 Spirost-5-ene-3,25,27-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064960 Spirost-7-ene-2,3,5-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064961 Spirost-8(14)-ene-2,3,5-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064962 Spirost-9(11)-ene-2,3,5-triol C27H42O5 446.303224 NA MeJP NA NA +MJ064963 Suberitenone B C27H42O5 446.303224 NA MeJP NA NA +MJ064964 Taccagenin C27H42O5 446.303224 NA MeJP NA NA +MJ064965 Carpipramine C28H38N4O 446.304561 NA MeJP NA NA +MJ064966 8'-Apo-?-caroten-8'-al; 8'-Carboxylic acid, Me ester C31H42O2 446.31848 NA MeJP NA NA +MJ064967 Sintaxanthin; 3?-Hydroxy C31H42O2 446.31848 NA MeJP NA NA +MJ064968 CNS 2103 C24H42N6O2 446.336924 NA MeJP NA NA +MJ064969 CNS 2104 C24H42N6O2 446.336924 NA MeJP NA NA +C14158 Stylisterol B C28H46O4 446.3396 NA KEGG NA NA +C14505 Di-n-decyl phthalate C28H46O4 446.3396 NA KEGG NA NA +C14578 Diisodecyl phthalate C28H46O4 446.3396 NA KEGG NA NA +C15792 3-Dehydroteasterone C28H46O4 446.3396 NA KEGG NA NA +MJ064970 11,12-Epoxyergost-24(28)-ene-1,3,6-triol C28H46O4 446.339609 NA MeJP NA NA +MJ064971 12,16-Dihydroxy-20,24-dimethyl-25-nor-24-scalaranone, 12-Ac C28H46O4 446.339609 NA MeJP NA NA +MJ064972 2,3-Epoxy-22,23-dihydroxyergostan-6-one C28H46O4 446.339609 NA MeJP NA NA +MJ064973 22,23-Epoxyergost-9(11)-ene-3,6,20-triol C28H46O4 446.339609 NA MeJP NA NA +MJ064974 22,28-Epoxyergost-5-ene-3,25,28-triol C28H46O4 446.339609 NA MeJP NA NA +MJ064975 3,22,23-Trihydroxyergostan-6-one, 3-Ketone C28H46O4 446.339609 NA MeJP NA NA +MJ064976 3,5,6-Trihydroxyergost-22-en-7-one. C28H46O4 446.339609 NA MeJP NA NA +MJ064977 3,6,20-Trihydroxyergost-9(11)-en-23-one C28H46O4 446.339609 NA MeJP NA NA +MJ064978 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Octadecyl ester C28H46O4 446.339609 NA MeJP NA NA +MJ064979 4-(3,4-Dihydroxyphenyl)-3-buten-1-ol, 1-Hexadecanoyl C28H46O4 446.339609 NA MeJP NA NA +MJ064980 9,10-Secocholesta-5,7,10(19)-triene-1,3,22,25-tetrol, 22-Me ether C28H46O4 446.339609 NA MeJP NA NA +MJ064981 Ergost-24(28)-ene-1,3,5,6-tetrol, 6-Ketone C28H46O4 446.339609 NA MeJP NA NA +MJ064982 Ergost-5-ene-3,22,25,28-tetrol, 28-Aldehyde C28H46O4 446.339609 NA MeJP NA NA +MJ064983 Ergosta-5,24(28)-diene-1,3,11,18-tetrol C28H46O4 446.339609 NA MeJP NA NA +MJ064984 Ergosta-5,24(28)-diene-2,3,15,18-tetrol C28H46O4 446.339609 NA MeJP NA NA +MJ064985 Ergosta-5,24(28)-diene-2,3,4,7-tetrol C28H46O4 446.339609 NA MeJP NA NA +MJ064986 Ergosta-5,24(28)-diene-3,4,7,20-tetrol C28H46O4 446.339609 NA MeJP NA NA +MJ064987 Ergosta-5,24(28)-diene-3,7,9,19-tetrol C28H46O4 446.339609 NA MeJP NA NA +MJ064988 Ergosta-7,22-diene-3,5,6,9-tetrol C28H46O4 446.339609 NA MeJP NA NA +MJ064989 Ergosta-7,24(28)-diene-3,5,6,9-tetrol C28H46O4 446.339609 NA MeJP NA NA +MJ064990 Ergosta-8(14),22-diene-3,6,15,26-tetrol C28H46O4 446.339609 NA MeJP NA NA +MJ064991 Ergosta-8,22-diene-3,5,6,7-tetrol C28H46O4 446.339609 NA MeJP NA NA +MetaCyc03588 3-dehydroteasterone [dehydroteasterone;] C28H46O4 446.33961 NA metacyc NA NA +MJ064992 1-Nonadecene-4,6,8,10,12,14-hexol, Hexa-Me ether C25H50O6 446.360739 NA MeJP NA NA +MJ064993 3,5-Dihydroxystigmastan-6-one C29H50O3 446.375995 NA MeJP NA NA +MJ064994 3-Hydroxy-25,26,27-trinorcycloartan-24-al, Di-Me acetal C29H50O3 446.375995 NA MeJP NA NA +MJ064995 3-Hydroxy-8,14-secoergostane-8,14-dione, Me ether C29H50O3 446.375995 NA MeJP NA NA +MJ064996 9-Hydroxy-?-tocopherone C29H50O3 446.375995 NA MeJP NA NA +MJ064997 ?-Tocopherolhydroquinone; 1,4-Quinone C29H50O3 446.375995 NA MeJP NA NA +MJ064998 Aragusterol G C29H50O3 446.375995 NA MeJP NA NA +MJ064999 Capiquinones; Capiquinone F C29H50O3 446.375995 NA MeJP NA NA +MJ065000 Ergost-5-ene-3,7,22-triol, 7-Me ether C29H50O3 446.375995 NA MeJP NA NA +MJ065001 Mavioquinone C29H50O3 446.375995 NA MeJP NA NA +MJ065002 Numersterol B C29H50O3 446.375995 NA MeJP NA NA +MJ065003 Stigmast-25-ene-3,5,7-triol C29H50O3 446.375995 NA MeJP NA NA +MJ065004 Stigmast-5-ene-3,7,20-triol C29H50O3 446.375995 NA MeJP NA NA +MJ065005 Stigmast-5-ene-3,7,22-triol C29H50O3 446.375995 NA MeJP NA NA +MJ065006 Stigmast-5-ene-3,7-diol, 7-Hydroperoxide C29H50O3 446.375995 NA MeJP NA NA +MJ065007 Stigmast-6-ene-3,5-diol, 5-Hydroperoxide C29H50O3 446.375995 NA MeJP NA NA +MJ065008 Stigmast-7-ene-3,5,6-triol C29H50O3 446.375995 NA MeJP NA NA +MJ065009 Stigmasta-5,22-diene-3,7,16-triol, 22,23-Dihydro C29H50O3 446.375995 NA MeJP NA NA +MJ065010 ?-Tocopherolhydroquinone; 1,4-Quinone C29H50O3 446.375995 NA MeJP NA NA +MJ065011 Cyclomicrophylline I; 6,7-Dihydro, N-tetra-Me C28H50N2O2 446.387228 NA MeJP NA NA +MJ065012 20,32-Cyclobishomo-20,22,31-hopatriene, 32-Methyl C33H50 446.391251 NA MeJP NA NA +MJ065013 15,18,21,24,27-Triacontapentaenoic acid, 15,16,27,28-Tetrahydro C30H54O2 446.41238 NA MeJP NA NA +MJ065014 5,9,21-Triacontatrienoic acid C30H54O2 446.41238 NA MeJP NA NA +MJ065015 5,9,23-Triacontatrienoic acid C30H54O2 446.41238 NA MeJP NA NA +MJ065016 5-Tricosyl-1,3-benzenediol; 3-Me ether C30H54O2 446.41238 NA MeJP NA NA +MJ065017 5.9.25-Triacontatrienoic acid C30H54O2 446.41238 NA MeJP NA NA +MJ065018 Dammarane-3,25-diol C30H54O2 446.41238 NA MeJP NA NA +EUR353 Flavine adenine dinucleotide F3 F3 446.498275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR353 Flavine adenine dinucleotide F3 NA 446.498275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR353 Flavine adenine dinucleotide F3 F3 446.498275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR353 Flavine adenine dinucleotide F3 NA 446.498275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR353 Flavine adenine dinucleotide F3 F3 446.498275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR353 Flavine adenine dinucleotide F3 NA 446.498275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR353 Flavine adenine dinucleotide F3 F3 446.498275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR353 Flavine adénine dinucléotide F3 F3 446.498275 standards wishlist analysés sur QTOF HMDB NA NA +EUR353 Flavine adenine dinucleotide F3 F3 446.498275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR353 Flavine adenine dinucleotide F3 NA 446.498275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR353 Flavine adenine dinucleotide F3 F3 446.498275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR353 Flavine adenine dinucleotide F3 F3 446.498275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ065019 Tribromsalan C13H8Br3NO2 446.810516 NA MeJP NA NA +MJ065020 3,5-Diiodo-4-oxo-1(4H)-pyridineacetic acid; Propyl ester C10H11I2NO3 446.88283 NA MeJP NA NA +C05691 Se-Adenosylselenomethionine C15H23N6O5Se 447.0895 NA KEGG NA NA +HMDB11118 Se-Adenosylselenomethionine C15H23N6O5Se 447.089508 NA HMDB2010 NA NA +FL7DACGS0003 Luteolinidin 4'-glucuronide C21H19O11 447.09273 97165-27-0 knapsack NA NA +MJ065021 Corynoline, O-Sulfate C21H21NO8S 447.098787 NA MeJP NA NA +MJ065022 Ampiroxicam C20H21N3O7S 447.11002 NA MeJP NA NA +FL7AADGS0002 Peonidin 3-rhamnoside C22H23O10 447.12912 72551-79-2 knapsack NA NA +MJ065023 Dimetipirium(1+); Bromide C23H30BrNO3 447.140906 NA MeJP NA NA +PJ001612 PCND C16H25N5O8S 447.1424 NA PeJP NA NA +MJ065024 Hyperectine C24H21N3O6 447.143035 NA MeJP NA NA +PJ001613 CYY C21H25N3O6S 447.1464 NA PeJP NA NA +C12564 Aripiprazole C23H27Cl2N3O2 447.148 NA KEGG NA NA +C12565 Transferred to D01165 C23H27Cl2N3O2 447.148 NA KEGG NA NA +C12566 Transferred to D01166 C23H27Cl2N3O2 447.148 NA KEGG NA NA +MJ065025 Aripiprazole C23H27Cl2N3O2 447.148032 NA MeJP NA NA +HMDB05042 Aripiprazole C23H27Cl2N3O2 447.14804 http://www.hmdb.ca/metabolites/HMDB05042 HMDB NA NA +HMDB05042 Aripiprazole C23H27Cl2N3O2 447.14804 HMDB05042 PFEM_hmdb_metabocards_official NA NA +HMDB05042 Aripiprazole C23H27Cl2N3O2 447.148041 NA HMDB2010 NA NA +MJ065026 Pseurotins; Pseurotin B C22H25NO9 447.152931 NA MeJP NA NA +MJ065027 Pseurotins; Pseurotin C C22H25NO9 447.152931 NA MeJP NA NA +MJ065028 Azaftozine C23H24F3N3OS 447.159217 NA MeJP NA NA +PJ001614 GNEE C16H25N5O10 447.1602 NA PeJP NA NA +PJ001615 SNNN C15H25N7O9 447.1714 NA PeJP NA NA +MJ065029 Mycosporin 2; 9-O-?-D-Glucopyranoside C19H29NO11 447.17406 NA MeJP NA NA +PJ001616 NEW C20H25N5O7 447.1754 NA PeJP NA NA +PJ001617 SPNM C17H29N5O7S 447.1788 NA PeJP NA NA +MJ065030 2-(Diphenylacetyl)-1,2,3,4-tetrahydro-6-phenyl-3-isoquinolinecarboxylic acid C30H25NO3 447.183443 NA MeJP NA NA +MJ065031 Erysotrine, O15,O16-Di-de-Me, 15-O-?-D-glucopyranoside C23H29NO8 447.189316 NA MeJP NA NA +MJ065032 Erysotrine, O15,O16-Di-de-Me, 16-O-?-D-glucopyranoside C23H29NO8 447.189316 NA MeJP NA NA +MJ065033 Higenamine, N-Me, O7-?-D-glucopyranoside C23H29NO8 447.189316 NA MeJP NA NA +MJ065034 Dodeclonium(1+); Bromide C22H39BrClNO 447.190355 NA MeJP NA NA +MJ065035 Meleagrin; Me ether C24H25N5O4 447.190654 NA MeJP NA NA +MJ065036 Naamidine A; N3'-Me C24H25N5O4 447.190654 NA MeJP NA NA +MJ065037 Naamidine A; O11-Me C24H25N5O4 447.190654 NA MeJP NA NA +PJ001618 GWW C24H25N5O4 447.1907 NA PeJP NA NA +PJ001619 ATQE C17H29N5O9 447.1965 NA PeJP NA NA +PJ001620 GDKE C17H29N5O9 447.1966 NA PeJP NA NA +MJ065038 Kalihinol F; 10,16-Diisothiocyanate C23H33N3O2S2 447.201418 NA MeJP NA NA +8094 peptide derived from porcine collagen LQGM 447.2034 ACE inhibitor Inhouse_peptide NA peptide +MJ065039 8-(4-Methyl-2-oxopentyl)dihydrochelerythrine C27H29NO5 447.204573 NA MeJP NA NA +MJ065040 Cardiopetamine C27H29NO5 447.204573 NA MeJP NA NA +MJ065041 Vietnamine C27H29NO5 447.204573 NA MeJP NA NA +PJ001621 GSER C16H29N7O8 447.2078 NA PeJP NA NA +MJ065042 3-[[[3-[4-(Aminoiminomethyl)phenyl]-4,5-dihydro-5-isoxazolyl]acetyl]amino]-N-(butoxycarbonyl)alanine, Me ester C21H29N5O6 447.211783 NA MeJP NA NA +MJ065043 4-[[3-[4-[Imino[(methoxycarbonyl)amino]methyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]-1-piperazineacetic acid, Et ester C21H29N5O6 447.211783 NA MeJP NA NA +PJ001622 DKW C21H29N5O6 447.2118 NA PeJP NA NA +PJ001623 GLQM C18H33N5O6S 447.2152 NA PeJP NA NA +PJ001624 SRW C20H29N7O5 447.223 NA PeJP NA NA +MJ065044 Alkaloid GB11; 13?-Hydroxy C24H33NO7 447.225702 NA MeJP NA NA +PJ001625 AAMR C17H33N7O5S 447.2264 NA PeJP NA NA +PJ001626 ATKE C18H33N5O8 447.2329 NA PeJP NA NA +EUR810 Lyso PE 14:0 [M+Na]+ C19H40NO7P 447.236188 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR810 Lyso PE 14:0 [M+Na]+ C19H40NO7P 447.236188 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR810 Lyso PE 14:0 [M+Na]+ C19H40NO7P 447.236188 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR810 Lyso PE 14:0 [M+Na]+ C19H40NO7P 447.236188 masses lipides attendues Inhousejuil11 NA NA +C11303 S-Decyl GSH C20H37N3O6S 447.2403 NA KEGG NA NA +PJ001627 ATTR C17H33N7O7 447.2442 NA PeJP NA NA +PJ001628 GPKF C22H33N5O5 447.2482 NA PeJP NA NA +PJ001629 GLKM C19H37N5O5S 447.2516 NA PeJP NA NA +MJ065045 Antibiotic VM 55595 C27H33N3O3 447.252191 NA MeJP NA NA +MJ065046 Celacinnine, N1-Ac C27H33N3O3 447.252191 NA MeJP NA NA +MJ065047 Dehydrobicoloridine C25H37NO6 447.262087 NA MeJP NA NA +MJ065048 Delpheline; 6-Ketone C25H37NO6 447.262087 NA MeJP NA NA +MJ065049 Erythrophleum Alkaloid A C25H37NO6 447.262087 NA MeJP NA NA +MJ065050 Sarcotragin A; N-De(2-phenylethyl), N-(carboxymethyl) C25H37NO6 447.262087 NA MeJP NA NA +MJ065051 Nilprazole C26H33N5O2 447.263425 NA MeJP NA NA +MJ065052 Antibiotic D 53 C19H37N5O7 447.269298 NA MeJP NA NA +MJ065053 Pentisomicin C19H37N5O7 447.269298 NA MeJP NA NA +MJ065054 Sisomicin C19H37N5O7 447.269298 NA MeJP NA NA +C00494 Sisomicin C19H37N5O7 447.2693 NA KEGG NA NA +PJ001630 STLK C19H37N5O7 447.2693 NA PeJP NA NA +MJ065055 Lilopristone C29H37NO3 447.277344 NA MeJP NA NA +MJ065056 Metachromin G C29H37NO3 447.277344 NA MeJP NA NA +MJ065057 Smenospongine; 5'-Epimer, N-(2-phenylethyl) C29H37NO3 447.277344 NA MeJP NA NA +MJ065058 Smenospongine; N-(2-Phenylethyl) C29H37NO3 447.277344 NA MeJP NA NA +MJ065059 Benzethonium(1+); Chloride C27H42ClNO2 447.290407 NA MeJP NA NA +MJ065060 3-Hydroxy-7-oxocholan-24-oic acid, Glycine amide C26H41NO5 447.298473 NA MeJP NA NA +MJ065061 Gentamicin C; Gentamicin C2b, 5-Deoxy C20H41N5O6 447.305684 NA MeJP NA NA +MJ065062 3,6,14-Cevanetriol, N-Oxide C27H45NO4 447.334858 NA MeJP NA NA +MJ065063 3-Aminopregnane-18,20-diol, N-Di-Me, O,O-di-Ac C27H45NO4 447.334858 NA MeJP NA NA +MJ065064 Cevane-3,6,20-triol, N-Oxide C27H45NO4 447.334858 NA MeJP NA NA +MJ065065 Solaphyllidine; O-De-Ac C27H45NO4 447.334858 NA MeJP NA NA +MJ065066 Methyl 3-alkylpyrrole-2-carboxylates; Methyl 3-tricosyl-1H-pyrrole-2-carboxylate C29H53NO2 447.407629 NA MeJP NA NA +MJ065067 Pentabromo-2-propanone C3HBr5O 447.594427 NA MeJP NA NA +MJ065068 Spiroxin D; 1-Ketone, 1'-alcohol, 7,7'-dichloro, 8'-hydroxy C20H10Cl2O8 447.975272 NA MeJP NA NA +MJ065069 Minalrestat C19H11BrF2N2O4 447.987025 NA MeJP NA NA +MJ065070 Tauroacidin A; 2-Debromo C13H17BrN6O5S 448.016451 NA MeJP NA NA +MJ065071 Rhopaladin A C21H13BrN4O3 448.017102 NA MeJP NA NA +MJ065072 4-Bromo-6-[3-(4-chlorophenyl)propoxy]-5-[(3-pyridinylmethyl)amino]-3(2H)-pyridazinone C19H18BrClN4O2 448.030166 NA MeJP NA NA +PARAC022 UNKNOWN signif manip paracetamol NA 448.0378 RT6.6 PFEM_hmdb_metabocards_urine NA urine +PARAC022 UNKNOWN signif manip paracetamol NA 448.0378 RT6.6 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC022 UNKNOWN signif manip paracetamol NA 448.0378 RT6.6 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC022 UNKNOWN signif manip paracetamol NA 448.0378 RT6.6 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC022 UNKNOWN signif manip paracetamol NA 448.0378 RT6.6 HMDB NA NA +PARAC022 UNKNOWN signif manip paracetamol NA 448.0378 RT6.6 Inhouse_PFEM NA NA +PARAC022 UNKNOWN signif manip paracetamol NA 448.0378 RT6.6 PFEM_hmdb_metabocards_blood NA blood +PARAC022 UNKNOWN signif manip paracetamol NA 448.0378 RT6.6 PFEM_hmdb_metabocards_official NA NA +MJ065073 Galtifenin C16H21IN2O5 448.049515 NA MeJP NA NA +MJ065074 Suxamethonium(2+); Dibromide C14H30Br2N2O4 448.057232 NA MeJP NA NA +C05837 Glucobrassicin C16H20N2O9S2 448.061 NA KEGG NA NA +MJ065075 Glucobrassicin C16H20N2O9S2 448.061021 NA MeJP NA NA +MJ065076 3-Indolylmethyl glucosinolate C16H20N2O9S2 448.061021 NA MeJP NA NA +MetaCyc03589 indolylmethyl-glucosinolate [3-indolymethyl-glucosinolate;glucobrassicin;] C16H20N2O9S2 448.061022 NA metacyc NA NA +MJ065077 Ellagic acid; 2-O-?-L-Rhamnopyranoside C20H16O12 448.064175 NA MeJP NA NA +MJ065078 Ellagic acid; 3-Me ether, 7-O-?-D-xylopyranoside C20H16O12 448.064175 NA MeJP NA NA +MJ065079 Ellagic acid; 3-Me ether, 7-O-?-L-arabinofuranoside C20H16O12 448.064175 NA MeJP NA NA +MJ065080 2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione C24H16O9 448.079432 NA MeJP NA NA +MJ065081 Fasciculin A C24H16O9 448.079432 NA MeJP NA NA +MJ065082 Se-Adenosylselenomethionine C15H24N6O5Se 448.097339 NA MeJP NA NA +JH231 Luteolin-4-O-glucoside [M+H]+ C21H20O11 448.0975 14.55 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH231 Luteolin-4-O-glucoside [M+H]+ C21H20O11 448.0975 14.55 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH231 Luteolin-4-O-glucoside [M+H]+ C21H20O11 448.0975 14.55 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH231 Luteolin-4-O-glucoside [M+H]+ C21H20O11 448.0975 14.55 Inhousejuil11 NA NA +FL1A3CGS0001 Maritimein C21H20O11 448.10056 490-54-0 knapsack NA NA +FL1A3CGS0006 Maritimetin 7-glucoside C21H20O11 448.10056 134955-54-7 knapsack NA NA +FL1AACGS0001 Cernuoside C21H20O11 448.10056 480-69-3 knapsack NA NA +FL1AACGS0002 Aureusin C21H20O11 448.10056 633-15-8 knapsack NA NA +FL1CQUGS0001 Carthamone C21H20O11 448.10056 86579-00-2 knapsack NA NA +FL2FE9GS0001 Dihydrobaicalein 7-O-glucuronide C21H20O11 448.10056 56226-98-3 knapsack NA NA +FL2FF9GS0001 Dihydronorwogonin 7-O-glucuronide C21H20O11 448.10056 60092-34-4 knapsack NA NA +FL3F1GGS0002 7,3',4',5'-Tetrahydroxyflavone 7-glucoside;evolvuside B C21H20O11 448.10056 98411-70-2 knapsack NA NA +FL3FA8GS0006 5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-6-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one C21H20O11 448.10056 185145-32-8 knapsack NA NA +FL3FACCS0001 Isoorientin;Homoorientin;Lespecapitioside;Luteolin 6-C-beta-D-glucopyranoside;2-(3,4-Dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one C21H20O11 448.10056 4261-42-1 knapsack NA NA +FL3FACCS0002 Orientin;8-beta-D-Glucopyranosyl-3',4',5,7-tetrahydroxyflavone;Luteolin 8-C-beta-D-glucopyranoside;Lutexin;2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one C21H20O11 448.10056 28608-75-5 knapsack NA NA +FL3FACCS0005 6-C-Galactosylluteolin;2-(3,4-Dihydroxyphenyl)-6-beta-D-galactopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one C21H20O11 448.10056 113349-18-1 knapsack NA NA +FL3FACCS0041 8-C-Galactosylluteolin;2-(3,4-Dihydroxyphenyl)-8-beta-D-galactopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one C21H20O11 448.10056 61950-88-7 knapsack NA NA +FL3FACGS0002 Luteolin 5-glucoside C21H20O11 448.10056 20344-46-1 knapsack NA NA +FL3FACGS0003 Luteolin 5-galactoside C21H20O11 448.10056 64662-18-6 knapsack NA NA +FL3FACGS0007 Luteolin 7-glucoside C21H20O11 448.10056 05/11/5373 knapsack NA NA +FL3FACGS0008 Luteolin 7-galactoside C21H20O11 448.10056 68321-11-9 knapsack NA NA +FL3FACGS0014 Luteolin 3'-glucoside C21H20O11 448.10056 5154-41-6 knapsack NA NA +FL3FACGS0017 Luteolin 4'-glucoside C21H20O11 448.10056 6920-38-3 knapsack NA NA +FL3FEAGS0003 Scutellarein 6-glucoside C21H20O11 448.10056 10289-41-5 knapsack NA NA +FL3FEAGS0005 Scutellarein 7-glucoside C21H20O11 448.10056 26046-94-6 knapsack NA NA +FL3FECGS0004 6-Hydroxyluteolin 5-rhamnoside C21H20O11 448.10056 - knapsack NA NA +FL3FECGS0009 6-Hydroxyluteolin 7-rhamnoside C21H20O11 448.10056 107390-48-7 knapsack NA NA +FL3FECGS0042 6-Hydroxyluteolin 6-rhamnoside;6-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C21H20O11 448.10056 173615-24-2 knapsack NA NA +FL3FFACS0001 6-C-Galactosylisoscutellarein;6-beta-D-Galactopyranosyl-5,7,8-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C21H20O11 448.10056 82014-23-1 knapsack NA NA +FL3FFAGS0010 Isoscutellarein 7-glucoside C21H20O11 448.10056 63317-86-2 knapsack NA NA +FL3FFCGS0022 Hypolaetin 8-rhamnoside;8-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C21H20O11 448.10056 173615-23-1 knapsack NA NA +FL5F1CCS0001 Fisetin 8-C-glucoside;8-C-Glucosylfisetin C21H20O11 448.10056 108335-27-9 knapsack NA NA +FL5F1CGL0001 Fisetin 3-glucoside C21H20O11 448.10056 20633-87-8 knapsack NA NA +FL5F1CGS0001 Fisetin 7-glucoside C21H20O11 448.10056 - knapsack NA NA +FL5F1CGS0002 Fisetin 4'-glucoside C21H20O11 448.10056 95399-27-2 knapsack NA NA +FL5FA8GL0001 Datiscanin C21H20O11 448.10056 83008-42-8 knapsack NA NA +FL5FAACS0001 6-C-Glucopyranosylkaempferol;6-beta-D-Glucopyranosyl-3,5,7,4'-tetrahydroxyflavone;6-beta-D-Glucopyranosyl-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C21H20O11 448.10056 28225-10-7 knapsack NA NA +FL5FAACS0002 8-C-beta-D-Glucopyranosylkaempferol;8-beta-D-Glucopyranosyl-3,5,7,4'-tetrahydroxyflavone;8-beta-D-Glucopyranosyl-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C21H20O11 448.10056 562068-65-9 knapsack NA NA +FL5FAAGA0001 Kaempferol 3-alpha-D-galactoside C21H20O11 448.10056 107163-34-8 knapsack NA NA +FL5FAAGA0002 Trifolin C21H20O11 448.10056 23627-87-4 knapsack NA NA +FL5FAAGL0001 Astragalin;Kaempferol 3-O-beta-D-glucoside;Kaempferol 3-glucoside C21H20O11 448.10056 480-10-4 knapsack NA NA +FL5FAAGL0002 Kaempferol 3-alpha-D-glucoside C21H20O11 448.10056 31159-41-8 knapsack NA NA +FL5FAAGS0004 Asiaticalin C21H20O11 448.10056 69292-77-9 knapsack NA NA +FL5FAAGS0008 Kaempferol 5-glucoside C21H20O11 448.10056 34157-80-7 knapsack NA NA +FL5FAAGS0012 Kaempferol 7-alloside C21H20O11 448.10056 765949-92-6 knapsack NA NA +FL5FAAGS0013 Kaempferol 7-galactoside C21H20O11 448.10056 53585-54-9 knapsack NA NA +FL5FAAGS0014 Populnin C21H20O11 448.10056 16290-07-6 knapsack NA NA +FL5FAAGS0017 Kaempferol 4'-glucoside C21H20O11 448.10056 52222-74-9 knapsack NA NA +FL5FACGM0001 8-C-Methylquercetin 3-xyloside C21H20O11 448.10056 96910-74-6 knapsack NA NA +FL5FACGS0006 Quercitrin;Quercetin 3-O-rhamnopyranoside C21H20O11 448.10056 522-12-3 knapsack NA NA +FL5FACGS0015 Quercetin 7-rhamnoside C21H20O11 448.10056 22007-72-3 knapsack NA NA +FL5FADGS0001 Isorhamnetin 3-alpha-L-arabinofuranoside C21H20O11 448.10056 5041-66-7 knapsack NA NA +FL5FADGS0002 Distichin C21H20O11 448.10056 73465-82-4 knapsack NA NA +FL5FADGS0003 Isorhamnetin 3-xyloside C21H20O11 448.10056 - knapsack NA NA +FL5FCCGS0001 Rhamnetin 3-alpha-L-arabinofuranoside C21H20O11 448.10056 29029-28-5 knapsack NA NA +FL5FCCGS0002 Rhamnetin 3-alpha-L-arabinopyranoside C21H20O11 448.10056 28638-12-2 knapsack NA NA +FL5FDCGS0006 Quercetin 3-methyl ether 3'-xyloside C21H20O11 448.10056 93373-16-1 knapsack NA NA +FL5FFAGS0003 Herbacetin 7-rhamnoside C21H20O11 448.10056 85571-15-9 knapsack NA NA +FL5FFAGS0007 Herbacetin 8-rhamnoside C21H20O11 448.10056 74137-44-3 knapsack NA NA +FLIAACCS0001 8-C-Glucosylorobol C21H20O11 448.10056 66026-81-1 knapsack NA NA +FLIAACCS0002 6-C-Glucosylorobol C21H20O11 448.10056 118949-92-1 knapsack NA NA +FLIAACGS0001 Orobol 7-O-glucoside;Oroboside C21H20O11 448.10056 20486-33-3 knapsack NA NA +FLNAACGS0001 5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-glucoside C21H20O11 448.10056 116329-89-6 knapsack NA NA +MJ065083 1,2,4,5-Tetrahydroxy-7-methylanthraquinone; 4-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065084 1,2,6,8-Tetrahydroxy-3-methylanthraquinone; 1-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065085 1,2,6,8-Tetrahydroxy-3-methylanthraquinone; 2-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065086 1,3,5,8-Tetrahydroxy-2-methylanthraquinone; 3-O-?-D-Galactopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065087 1,3,5,8-Tetrahydroxy-2-methylanthraquinone; 3-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065088 2',3,5,7-Tetrahydroxyflavone; 3-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065089 2',4',5,7-Tetrahydroxyisoflavone; 4'-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065090 2',4',5,7-Tetrahydroxyisoflavone; 7-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065091 2',5,6',7-Tetrahydroxyflavone; 2'-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065092 2,13-Dihydroxy-6,13-epoxy-13H-dibenzo[b,g][1,5]dioxonin-11(6H)-one; 5-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065093 3',4',5',7-Tetrahydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065094 3',4',5,6,7-Pentahydroxyflavone; 6-O-?-L-Rhamnopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065095 3',4',5,6,7-Pentahydroxyflavone; 7-O-?-L-Rhamnopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065096 3',4',5,7,8-Pentahydroxyflavone; 8-O-?-L-Rhamnopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065097 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 3'-O-?-D-Xylopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065098 3',4',5,7-Tetrahydroxyflavone; 3'-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065099 3',4',5,7-Tetrahydroxyflavone; 4'-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065100 3',4',5,7-Tetrahydroxyflavone; 5-O-?-D-Galactopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065101 3',4',5,7-Tetrahydroxyflavone; 5-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065102 3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Galactopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065103 3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Glucofuranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065104 3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065105 3',4',5,7-Tetrahydroxyisoflavone; 7-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065106 3',4',6,7-Tetrahydroxyaurone; 6-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065107 3',4',6,7-Tetrahydroxyaurone; 7-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065108 3',4',7,8-Tetrahydroxyisoflavone; 8-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065109 3',4,4',6-Tetrahydroxyaurone; 4-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065110 3',4,4',6-Tetrahydroxyaurone; 6-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065111 3,3',4',5,7-Pentahydroxy-8-methylflavone; 3-O-?-D-Xylopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065112 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-?-L-Arabinofuranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065113 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-?-L-Arabinopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065114 3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-Arabinoside C21H20O11 448.100561 NA MeJP NA NA +MJ065115 3,3',4',7-Tetrahydroxyflavone; 3-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065116 3,3',4',7-Tetrahydroxyflavone; 4'-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065117 3,3',4',7-Tetrahydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065118 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-Arabinoside C21H20O11 448.100561 NA MeJP NA NA +MJ065119 3,4',5,7,8-Pentahydroxyflavone; 4'-O-?-L-Rhamnopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065120 3,4',5,7,8-Pentahydroxyflavone; 7-Me ether, 3-O-?-L-rhamnopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065121 3,4',5,7,8-Pentahydroxyflavone; 7-O-?-L-Rhamnopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065122 3,4',5,7,8-Pentahydroxyflavone; 8-O-?-L-Rhamnopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065123 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-Arabinoside C21H20O11 448.100561 NA MeJP NA NA +MJ065124 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-D-Arabinopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065125 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-Xylopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065126 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-L-Arabinofuranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065127 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-L-Arabinopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065128 3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Allopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065129 3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Mannopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065130 3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Galactopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065131 3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Glucofuranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065132 3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065133 3,4',5,7-Tetrahydroxyflavone; 4'-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065134 3,4',5,7-Tetrahydroxyflavone; 5-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065135 3,4',5,7-Tetrahydroxyflavone; 7-O-?-D-Allopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065136 4',5,6,7-Tetrahydroxyflavone; 6-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065137 4',5,6,7-Tetrahydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065138 4',5,7,8-Tetrahydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065139 4',5,7,8-Tetrahydroxyflavone; 8-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065140 4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 5-O-?-D-Glucopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065141 5,6,7-Trihydroxyflavanone, 7-O-?-D-Glucuronoside C21H20O11 448.100561 NA MeJP NA NA +MJ065142 5,7,8-Trihydroxyflavanone, 7-O-Glucuronopyranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065143 6-C-Galactopyranosyl-3',4',5,7-tetrahydroxyflavone C21H20O11 448.100561 NA MeJP NA NA +MJ065144 6-Galactopyranosyl-4',5,7,8-tetrahydroxyflavone C21H20O11 448.100561 NA MeJP NA NA +MJ065145 6-Glucopyranosyl-3',4',5,7-tetrahydroxyisoflavone C21H20O11 448.100561 NA MeJP NA NA +MJ065146 6-Glucopyranosyl-3,4',5,7-tetrahydroxyflavone C21H20O11 448.100561 NA MeJP NA NA +MJ065147 8-C-Galactopyranosyl-3',4',5,7-tetrahydroxyflavone C21H20O11 448.100561 NA MeJP NA NA +MJ065148 8-C-Glucopyranosyl-3,3',4',7-tetrahydroxyflavone C21H20O11 448.100561 NA MeJP NA NA +MJ065149 8-Glucopyranosyl-2',4',5,7-tetrahydroxyisoflavone C21H20O11 448.100561 NA MeJP NA NA +MJ065150 8-Glucopyranosyl-3',4',5,7-tetrahydroxyisoflavone C21H20O11 448.100561 NA MeJP NA NA +MJ065151 Astragalin C21H20O11 448.100561 NA MeJP NA NA +MJ065152 Bergenin; 11-O-(4-Hydroxybenzoyl) C21H20O11 448.100561 NA MeJP NA NA +MJ065153 Carthamone C21H20O11 448.100561 NA MeJP NA NA +MJ065154 Fukiic acid, 2-O-(3-Hydroxy-4-methoxy-E-cinnamoyl) C21H20O11 448.100561 NA MeJP NA NA +MJ065155 Fukiic acid, 2-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) C21H20O11 448.100561 NA MeJP NA NA +MJ065156 Isoorientin C21H20O11 448.100561 NA MeJP NA NA +MJ065157 Orientin C21H20O11 448.100561 NA MeJP NA NA +MJ065158 Populnin C21H20O11 448.100561 NA MeJP NA NA +MJ065159 Quercetin 3-O-?-L-rhamnofuranoside C21H20O11 448.100561 NA MeJP NA NA +MJ065160 Quercitrin C21H20O11 448.100561 NA MeJP NA NA +MJ065161 Trifolin C21H20O11 448.100561 NA MeJP NA NA +MJ065162 Vincetoxicoside B C21H20O11 448.100561 NA MeJP NA NA +MJ065163 Luteolin 7-O-beta-D-glucoside C21H20O11 448.100561 NA MeJP NA NA +MJ065164 3',4',5,7,8-Pentahydroxyflavylium(1+); O-Glucoside C21H21O11(+) 448.100561 NA MeJP NA NA +MJ065165 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-?-L-Rhamnopyranoside C21H21O11(+) 448.100561 NA MeJP NA NA +MJ065166 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 5-O-Xyloside C21H21O11(+) 448.100561 NA MeJP NA NA +MJ065167 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Galactopyranoside C21H21O11(+) 448.100561 NA MeJP NA NA +MJ065168 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Glucofuranoside C21H21O11(+) 448.100561 NA MeJP NA NA +MJ065169 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside C21H21O11(+) 448.100561 NA MeJP NA NA +MJ065170 3,3',4',5,7-Pentahydroxyflavylium(1+); 4'-O-?-D-Glucopyranoside C21H21O11(+) 448.100561 NA MeJP NA NA +MJ065171 3,3',4',5,7-Pentahydroxyflavylium(1+); 7-O-?-D-Glucopyranoside C21H21O11(+) 448.100561 NA MeJP NA NA +MetaCyc03590 quercitrin [] C21H20O11 448.100561 522-12-3 metacyc NA NA +MetaCyc03591 isoorientin [] C21H20O11 448.100561 4261-42-1 metacyc NA NA +MetaCyc03592 kaempferol-3-glucoside [kaempferol-3-O-D-glucoside;] C21H20O11 448.100561 NA metacyc NA NA +MetaCyc03593 7-O-β-D-glucosyl-5,7,3',4'-tetrahydroxyflavone [luteolin 7-O-glucoside;luteolin 7-O-β-D-glucoside;] C21H20O11 448.100561 NA metacyc NA NA +C01750 Quercitrin C21H20O11 448.1006 NA KEGG NA NA +C01821 Isoorientin C21H20O11 448.1006 NA KEGG NA NA +C03951 Luteolin 7-O-beta-D-glucoside C21H20O11 448.1006 NA KEGG NA NA +C08598 Carthamone C21H20O11 448.1006 NA KEGG NA NA +C10042 Fisetin 8-C-glucoside C21H20O11 448.1006 NA KEGG NA NA +C10114 Orientin C21H20O11 448.1006 NA KEGG NA NA +C12249 Astragalin C21H20O11 448.1006 NA KEGG NA NA +C12626 Kaempferol 3-O-beta-D-galactoside C21H20O11 448.1006 NA KEGG NA NA +C16409 Aureusidin 6-O-glucoside C21H20O11 448.1006 NA KEGG NA NA +C17056 Plantaginin C21H20O11 448.1006 NA KEGG NA NA +JH233 Luteolin-7-O-glucoside [M+H]+ C21H20O11 448.103 13.24 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH233 Luteolin-7-O-glucoside [M+H]+ C21H20O11 448.103 13.24 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH233 Luteolin-7-O-glucoside [M+H]+ C21H20O11 448.103 13.24 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH233 Luteolin-7-O-glucoside [M+H]+ C21H20O11 448.103 13.24 Inhousejuil11 NA NA +C11373 Temocaprilat C21H24N2O5S2 448.1127 NA KEGG NA NA +FL3FQUNP0003 Artonin P;8,9-Dihydro-6,11-dihydroxy-3,3-dimethyl-9-(1-methylethenyl)-9a,13a-epoxy-3H,7H-benzo[c]pyrano[3,2-h]xanthene-7,10,13-trione C25H20O8 448.11581 151606-37-0 knapsack NA NA +MJ065172 Artonin P C25H20O8 448.115817 NA MeJP NA NA +MJ065173 Knipholone; 6'-Me ether C25H20O8 448.115817 NA MeJP NA NA +MJ065174 Scutellaprostin A C25H20O8 448.115817 NA MeJP NA NA +MJ065175 Scutellaprostin D C25H20O8 448.115817 NA MeJP NA NA +MJ065176 Clathridine-9-N-(2-sulfoethyl)imine C18H20N6O6S 448.116503 NA MeJP NA NA +PJ001631 SCCH C15H24N6O6S2 448.1199 NA PeJP NA NA +MJ065177 2,5-Dihydroxybenzoic acid; 5-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C18H24O13 448.12169 NA MeJP NA NA +MJ065178 Aralidioside C18H24O13 448.12169 NA MeJP NA NA +MJ065179 Clentiazem C22H25ClN2O4S 448.122355 NA MeJP NA NA +PJ001632 PCDD C16H24N4O9S 448.1264 NA PeJP NA NA +MJ065180 Falconensin A; 3''-Dechloro C23H25ClO7 448.12888 NA MeJP NA NA +C17391 Sakuranin C22H24O10 448.1369 NA KEGG NA NA +FL1C1CGS0004 Homobutein 4-glucoside C22H24O10 448.13694 146-80-5 knapsack NA NA +FL1C3AGS0005 Homobutein 4'-O-glucoside;4,2',4'-Trihydroxy-3-methoxychalcone 4'-O-glucoside C22H24O10 448.13694 89648-27-1 knapsack NA NA +FL1CA8GS0001 Androechin;2,2',6'-Trihydroxy-4'-methoxychalcone 2'-O-glucoside C22H24O10 448.13694 423775-36-4 knapsack NA NA +FL1CBAGS0001 4,2',4'-Trihydroxy-6'-methoxychalcone 4-glucoside C22H24O10 448.13694 155913-99-8 knapsack NA NA +FL1CBAGS0002 Helichrysin C22H24O10 448.13694 61826-89-9 knapsack NA NA +FL1CCAGS0001 Neosakuranin C22H24O10 448.13694 31187-54-9 knapsack NA NA +FL2FA8GS0001 Haplanthin C22H24O10 448.13694 62346-16-1 knapsack NA NA +FL2FAAGM0001 Poriolin C22H24O10 448.13694 24274-44-0 knapsack NA NA +FL2FABGS0002 Isosakuranetin 5-O-glucoside C22H24O10 448.13694 70863-90-0 knapsack NA NA +FL2FABGS0004 Isosakuranin C22H24O10 448.13694 494-69-0 knapsack NA NA +FL2FABGS0008 Puddumin B C22H24O10 448.13694 28585-70-8 knapsack NA NA +FL2FAEGS0005 Hesperetin 7-O-rhamnoside C22H24O10 448.13694 66513-83-5 knapsack NA NA +FL2FBAGS0001 Puddumin A C22H24O10 448.13694 110187-26-3 knapsack NA NA +FL2FBAGS0002 Alhagitin;7,4'-Dihydroxy-5-methoxyflavanone 4'-glucoside C22H24O10 448.13694 238750-97-5 knapsack NA NA +FL2FCAGS0001 Sakuranin C22H24O10 448.13694 529-39-5 knapsack NA NA +FL2FE9GS0002 6,7-Dihydroxy-5-methoxyflavanone 7-O-glucoside C22H24O10 448.13694 150036-32-1 knapsack NA NA +FL2FF9GS0002 Dihydrowogonin 7-O-glucoside C22H24O10 448.13694 99211-28-6 knapsack NA NA +FL3FGLNS0007 Agehoustin C C22H24O10 448.13694 97564-57-3 knapsack NA NA +FL4DABGS0001 Dihydrokaempferide 7-rhamnoside C22H24O10 448.13694 114847-26-6 knapsack NA NA +FL5FGGNS0012 3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone C22H24O10 448.13694 5244-28-0 knapsack NA NA +FL5FGGNS0013 5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone C22H24O10 448.13694 95165-17-6 knapsack NA NA +MJ065181 2',3',4',5,5',6,7,8-Octahydroxyflavone; 2',4',5,5',6,7,8-Hepta-Me ether C22H24O10 448.136946 NA MeJP NA NA +MJ065182 2',3,4,4'-Tetrahydroxychalcone; 3-Me ether, 4'-O-?-D-glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065183 2',3,4,4'-Tetrahydroxychalcone; 3-Me ether, 4-O-?-D-glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065184 2',4,4',6'-Tetrahydroxychalcone; 2'-Me ether, 4'-O-?-D-glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065185 2',4,4',6'-Tetrahydroxychalcone; 2'-Me ether, 4-O-?-D-glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065186 2',4,4',6'-Tetrahydroxychalcone; 4'-Me ether, 2'-O-?-D-glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065187 2',5,7-Trihydroxyflavanone, 7-Me ether, 2'-O-?-D-glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065188 3',5,7-Trihydroxy-4'-methoxyflavanone, 7-O-?-L-Rhamnopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065189 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,3',4',5',6,7,8-Hepta-Me ether C22H24O10 448.136946 NA MeJP NA NA +MJ065190 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',5,5',6,7,8-Hepta-Me ether C22H24O10 448.136946 NA MeJP NA NA +MJ065191 3,4',5,7-Tetrahydroxyflavanone, 4'-Me ether, 7-O-?-L-rhamnopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065192 3,5,7-Trihydroxyflavanone, 5-Me ether, 3-O-?-D-glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065193 4',5,7-Trihydroxy-6-methylflavanone, 7-O-?-D-Glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065194 4',5,7-Trihydroxyflavanone, 5-Me ether, 4'-O-?-D-glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065195 4',5,7-Trihydroxyflavanone, 5-Me ether, 7-O-?-D-glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065196 4',5-Dihydroxy-7-methoxyflavanone, 5-O-?-D-Glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065197 5,6,7-Trihydroxyflavanone, 5-Me ether, 7-O-?-D-glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065198 5,6,7-Trihydroxyflavanone, 6-Me ether, 7-O-?-D-glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065199 5,7,8-Trihydroxyflavanone, 8-Me ether, 7-O-?-D-glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065200 5,7-Dihydroxy-4'-methoxyflavanone, 5-O-?-D-Glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065201 5,7-Dihydroxy-4'-methoxyflavanone, 7-O-?-D-Galactopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065202 5,7-Dihydroxy-4'-methoxyflavanone, 7-O-?-D-Glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065203 5-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1'-Benzoyl, 1,2,3,4-tetra-Ac C22H24O10 448.136946 NA MeJP NA NA +MJ065204 Aloin, 7-Hydroxy, 8-Me ether C22H24O10 448.136946 NA MeJP NA NA +MJ065205 Imperatorin; 4'-?-D-Glucopyranosyloxy(E-) C22H24O10 448.136946 NA MeJP NA NA +MJ065206 Imperatorin; 4'-?-D-Glucopyranosyloxy(Z-) C22H24O10 448.136946 NA MeJP NA NA +MJ065207 Matteuorienin C22H24O10 448.136946 NA MeJP NA NA +MJ065208 Phyllodulcin, 3'-O-?-D-Glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065209 Phyllodulcin, 8-O-?-D-Glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065210 Phyllodulcin, O-De-Me, O3'-Me, 4'-O-?-D-glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065211 Phyllodulcin, 3'-O-?-D-Glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065212 Phyllodulcin, 8-O-?-D-Glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065213 Phyllodulcin, O-De-Me, O3'-Me, 4'-O-?-D-glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065214 Populoside C22H24O10 448.136946 NA MeJP NA NA +MJ065215 Quinquangulin; 6-O-?-D-Glucopyranoside C22H24O10 448.136946 NA MeJP NA NA +MJ065216 Salicin; 6'-O-(3,4-Dihydroxycinnamoyl)(E-) C22H24O10 448.136946 NA MeJP NA NA +MJ065217 chiro-Inositol, 1,5-Bis(4-hydroxyphenylacetyl) C22H24O10 448.136946 NA MeJP NA NA +MJ065218 neo-Inositol; 1,4-Bis(4-hydroxyphenylacetyl) C22H24O10 448.136946 NA MeJP NA NA +PJ001633 GDEE C16H24N4O11 448.1442 NA PeJP NA NA +MJ065219 Pamicogrel C25H24N2O4S 448.145677 NA MeJP NA NA +FL3FALNP0005 Cycloartomunin;6,12-Dihydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one C26H24O7 448.1522 135023-19-7 knapsack NA NA +FL3FRNND0004 Cycloartomunoxanthone;5a,6-Dihydro-1,8-dihydroxy-3-methoxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one C26H24O7 448.1522 135023-20-0 knapsack NA NA +FL3FRNNP0004 Artomunoxanthone;8,9-Dihydro-6,10,13-trihydroxy-11-methoxy-3,3-dimethyl-9-(1-methylethenyl)-3H,7H-benzo[c]pyrano[3,2-h]xanthen-7-one C26H24O7 448.1522 139906-74-4 knapsack NA NA +FL3FRNNP0005 Artonol E;6,7-Dihydro-5,9,14-trihydroxy-11-methoxy-3,3-dimethyl-6-(1-methylethenyl)-3H,8H-[1]benzopyrano[7,6-c]xanthen-8-one C26H24O7 448.1522 186824-61-3 knapsack NA NA +MJ065220 Artonol E C26H24O7 448.152203 NA MeJP NA NA +MJ065221 Cycloartomunin C26H24O7 448.152203 NA MeJP NA NA +MJ065222 Cycloartomunoxanthone C26H24O7 448.152203 NA MeJP NA NA +MJ065223 Rocaglatic acid; Decarboxy, 4'-demethoxy, 3',4'-methylenedioxy C26H24O7 448.152203 NA MeJP NA NA +MJ065224 Win 45306 C24H21FN4O4 448.154683 NA MeJP NA NA +MJ065225 Lirequinil C26H25ClN2O3 448.15537 NA MeJP NA NA +MJ065226 Tolvaptan C26H25ClN2O3 448.15537 NA MeJP NA NA +PJ001634 SNND C15H24N6O10 448.1554 NA PeJP NA NA +MJ065227 3-[2-(1,3,3a,4,5,9b-Hexahydro-6-methoxy-2H-benz[e]isoindol-2-yl)ethyl]pyrido[2',3':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione C24H24N4O3S 448.156911 NA MeJP NA NA +MJ065228 2-(3,4-Dihydroxyphenyl)ethanol; 4'-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C19H28O12 448.158076 NA MeJP NA NA +MJ065229 5-Methyl-1,3-benzenediol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C19H28O12 448.158076 NA MeJP NA NA +MJ065230 Ipolamiide; 8-Ac C19H28O12 448.158076 NA MeJP NA NA +MJ065231 Shanzhiside; 6-Ac, Me ester C19H28O12 448.158076 NA MeJP NA NA +MJ065232 Shanzhiside; 8-Ac, Me ester C19H28O12 448.158076 NA MeJP NA NA +MJ065233 Splendoside; 10-Ac C19H28O12 448.158076 NA MeJP NA NA +PJ001635 DEW C20H24N4O8 448.1594 NA PeJP NA NA +PJ001636 SPDM C17H28N4O8S 448.1628 NA PeJP NA NA +MJ065234 Phenanthroviridin C25H24N2O6 448.163436 NA MeJP NA NA +MJ065235 Pranidipine C25H24N2O6 448.163436 NA MeJP NA NA +MJ065236 5,6-Dihydroxy-7-protoilluden-14-al, 5-(3-Chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) C24H29ClO6 448.165266 NA MeJP NA NA +MJ065237 Guayacanin C30H24O4 448.167459 NA MeJP NA NA +MJ065238 Tecomaquinone I C30H24O4 448.167459 NA MeJP NA NA +MJ065239 Cryptoquindoline C31H20N4 448.168796 NA MeJP NA NA +FL1CELNS0002 2,3,4,5,2',3',4',6'-Octamethoxychalcone C23H28O9 448.17333 121697-04-9 knapsack NA NA +FL6FCBGS0001 Dichotosin C23H28O9 448.17333 97399-72-9 knapsack NA NA +MJ065240 1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 1,13-di-Ac C23H28O9 448.173332 NA MeJP NA NA +MJ065241 1,5,6,9,12-Pentahydroxy-7-protoilluden-14-al, 5-(2,4-Dihydroxy-6-methylbenzoyl) C23H28O9 448.173332 NA MeJP NA NA +MJ065242 2,2',3,3',4,4',5,6'-Octahydroxychalcone; Octa-Me ether C23H28O9 448.173332 NA MeJP NA NA +MJ065243 2,6,10,13-Tetrahydroxy-3,7(11),8-germacratrien-12,8-olide, 6-(2-Methylpropenoyl), 2,13-di-Ac C23H28O9 448.173332 NA MeJP NA NA +MJ065244 4',5,7-Trihydroxyflavan, 4',7-Di-Me ether, 5-O-?-D-glucopyranoside C23H28O9 448.173332 NA MeJP NA NA +MJ065245 4,5-Epoxy-2,8,13-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 2,13-di-Ac C23H28O9 448.173332 NA MeJP NA NA +MJ065246 4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-Angeloyl, 9-Ac, Me ester C23H28O9 448.173332 NA MeJP NA NA +MJ065247 5,8,9-Trihydroxy-1(10),4(15),11(13)-germacratrien-12,6-olid-14-oic acid, 9-Angeloyl, 8-Ac, Me ester C23H28O9 448.173332 NA MeJP NA NA +MJ065248 8,10,13-Trihydroxy-1-oxo-4,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 10,13-di-Ac C23H28O9 448.173332 NA MeJP NA NA +MJ065249 8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 2?,3?-Epoxide, 8,9-bis(2-methyl-2-propenoyl) C23H28O9 448.173332 NA MeJP NA NA +MJ065250 8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-Angeloyl, 9-Ac, Me ester C23H28O9 448.173332 NA MeJP NA NA +MJ065251 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Epoxy-2-methylbutanoyl), 9-Ac, Me ester C23H28O9 448.173332 NA MeJP NA NA +MJ065252 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 9-(2,3-Epoxy-2-methylbutanoyl), 8-Ac, Me ester C23H28O9 448.173332 NA MeJP NA NA +MJ065253 Exfoliamycin; 3-Me ether C23H28O9 448.173332 NA MeJP NA NA +MJ065254 Undulatin C23H28O9 448.173332 NA MeJP NA NA +PJ001637 GNQM C16H28N6O7S 448.174 NA PeJP NA NA +PJ001638 GGGGAM C16H28N6O7S 448.1741 NA PeJP NA NA +PJ001639 ATEE C17H28N4O10 448.1806 NA PeJP NA NA +PJ001640 APMM C18H32N4O5S2 448.1814 NA PeJP NA NA +MJ065255 2,4,6,8,10-Dodecapentaenedioic acid, 1-L-Aspartic acid-L-isoleucine diamide C22H28N2O8 448.184565 NA MeJP NA NA +MJ065256 Amicoumacin C; N-Ac C22H28N2O8 448.184565 NA MeJP NA NA +PJ001641 GCNR C15H28N8O6S 448.1853 NA PeJP NA NA +7816 ACE inhibitor from chickpea legumin MDLA 448.1883 antibacterial Inhouse_peptide NA peptide +FLIHBBNI0001 Lonchocarpenin C27H28O6 448.18858 22263-56-5 knapsack NA NA +MJ065257 3-(3,4-Dihydro-7-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4-hydroxy-5-[[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]methylene]-2(5H)-furanone C27H28O6 448.188588 NA MeJP NA NA +MJ065258 Aspulvinone A; 7'-Hydroxy C27H28O6 448.188588 NA MeJP NA NA +MJ065259 Aspulvinone B; 7'-Hydroxy C27H28O6 448.188588 NA MeJP NA NA +MJ065260 Fusariocin C C27H28O6 448.188588 NA MeJP NA NA +MJ065261 Griffonianone C C27H28O6 448.188588 NA MeJP NA NA +MJ065262 Lonchocarpic acid; 4'-Me ether C27H28O6 448.188588 NA MeJP NA NA +MJ065263 Rocaglatic acid; Decarboxy, 8b-Me ether C27H28O6 448.188588 NA MeJP NA NA +C10491 Lonchocarpenin C27H28O6 448.1886 NA KEGG NA NA +MJ065264 Kumujansine C28H25N4O2(+) 448.189926 NA MeJP NA NA +MJ065265 Picrasidine T, Dideoxy C28H25N4O2(+) 448.189926 NA MeJP NA NA +PJ001642 SSQQ C16H28N6O9 448.1918 NA PeJP NA NA +PJ001643 GPEF C21H28N4O7 448.1958 NA PeJP NA NA +PJ001644 GLEM C18H32N4O7S 448.1992 NA PeJP NA NA +C12183 Obliquine C26H28N2O5 448.1998 NA KEGG NA NA +MJ065266 Antibiotic RP 1551-5 C25H33ClO5 448.201651 NA MeJP NA NA +MJ065267 Clogestone; Di-Ac C25H33ClO5 448.201651 NA MeJP NA NA +8013 synthetic peptide LWM 448.2034 antibacterial Inhouse_peptide NA peptide +CJpos0794 Sebacic acid [(2M-H+2Na)]+ C20H35Na2O8 448.204275 C18rt(min)=7.65 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0794 Sebacic acid [(2M-H+2Na)]+ C20H35Na2O8 448.204275 C18rt(min)=7.65 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +C04300 Estradiol-17alpha 3-D-glucuronoside C24H32O8 448.2097 NA KEGG NA NA +C05503 Estradiol-17beta 3-glucuronide C24H32O8 448.2097 NA KEGG NA NA +C09121 Jodrellin A C24H32O8 448.2097 NA KEGG NA NA +C11237 17beta-Estradiol 17-(beta-D-glucuronide) C24H32O8 448.2097 NA KEGG NA NA +HMDB04482 2-Methoxyestrone 3-glucuronide C24H32O8 448.209717 NA HMDB2010 NA NA +HMDB06224 17-beta-estradiol-3-glucuronide C24H32O8 448.209717 NA HMDB2010 NA NA +HMDB10317 17-beta-estradiol glucuronide C24H32O8 448.209717 NA HMDB2010 NA NA +HMDB10322 17-alpha-estradiol-3-glucuronide C24H32O8 448.209717 NA HMDB2010 NA NA +HMDB10349 Estradiol-17alpha 3-D-glucuronoside C24H32O8 448.209717 NA HMDB2010 NA NA +MJ065268 1,2,3-Trihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 2-(2-Methylbutanoyl), di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065269 1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 6-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065270 1,5,6,7,14-Vouacapanepentol, 1-Ketone, 6,7-di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065271 11,12-Epoxy-4,7,14-trihydroxy-5,8(17)-briaradien-18,7-olide; 4,14-Di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065272 11,12-Epoxy-4,7,14-trihydroxy-5,8(17)-briaradien-18,7-olide; 7,14-Di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065273 12-O-Desacetyl-7-O-acetyl-19-acetoxycoleon P C24H32O8 448.209718 NA MeJP NA NA +MJ065274 14,15-Epoxy-4-isocedrene-1,3,14,15-tetrol, 3-Angeloyl, 14,15-di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065275 14,15-Epoxy-4-isocedrene-3,8,14,15-tetrol, 3-Angeloyl,14,15-di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065276 16-Kaurene-1,3,6,7,11,15-hexol, 6,15-Diketone, 3,7-di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065277 16-Kaurene-1,3,6,7,11,15-hexol, 6,15-Diketone, 7,11-di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065278 19-Acetoxycoleon Q; 12-De-Ac, 7-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065279 2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 6,19-Di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065280 2,3,5,11,14-Pentahydroxy-12-oxobufa-20,22-dienolide C24H32O8 448.209718 NA MeJP NA NA +MJ065281 3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,4-Methylene, 3',5,5',9,9'-penta-Me ether C24H32O8 448.209718 NA MeJP NA NA +MJ065282 3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',4,4',5,5'-Hexa-Me ether C24H32O8 448.209718 NA MeJP NA NA +MJ065283 3,4-Epoxy-1,5,8-trihydroxy-7(14),10-bisaboladien-2-one, 8-Angeloyl, 1,5-di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065284 3,7,12,14,18-Pentahydroxy-16-kauren-15-one, 12-Ketone, 3,18-di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065285 4,18:15,16-Diepoxy-13(16),14-clerodadiene-3,6,7,19-tetrol, 6-Ketone, 3,19-di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065286 6,7,12,16-Tetrahydroxy-8,12-abietadiene-11,14-dione, 7,16-Di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065287 7,20-Epoxy-1,6,7,18-tetrahydroxy-16-kauren-15-one, 1,18-Di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065288 7,20-Epoxy-1,6,7,19-tetrahydroxy-16-kauren-15-one, 1,19-Di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065289 7,20-Epoxy-16-kaurene-1,3,6,7,15-pentol, 1-Ketone, 6,15-di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065290 7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 15-Ketone, 1,11-di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065291 7,20-Epoxy-16-kaurene-3,6,7,15,19-pentol, 15-Ketone, 3,19-di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065292 7,20-Epoxy-6,7,11,19-tetrahydroxy-16-kauren-15-one, 11,19-Di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065293 7-Protoilludene-1,5,6,9,14-pentol, 14-(2-Hydroxy-4-methoxy-6-methylbenzoyl) C24H32O8 448.209718 NA MeJP NA NA +MJ065294 7-Protoilludene-1,5,6,9,14-pentol, 5-(2-Hydroxy-4-methoxy-6-methylbenzoyl) C24H32O8 448.209718 NA MeJP NA NA +MJ065295 8,10,11-Trihydroxy-3-guaien-12,6-olide, 8-Angeloyl, 10,11-di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065296 8,17-Epoxy-2,9,12-trihydroxy-5,13-briaradien-18,7-olide, 2,12-Di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065297 8,17-Epoxy-2,9,14-trihydroxy-5,11-briaradien-18,7-olide; 2,14-Di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065298 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl), 9-(2-methylpropanoyl) C24H32O8 448.209718 NA MeJP NA NA +MJ065299 Alcyonolide; 15-Acetoxy C24H32O8 448.209718 NA MeJP NA NA +MJ065300 Asatone C24H32O8 448.209718 NA MeJP NA NA +MJ065301 Barbatusin; 3?-Alcohol C24H32O8 448.209718 NA MeJP NA NA +MJ065302 Branacenal; 20-Carboxylic acid C24H32O8 448.209718 NA MeJP NA NA +MJ065303 Caesalpinin B C24H32O8 448.209718 NA MeJP NA NA +MJ065304 Coleon R; O12-De-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065305 Cubebinin C24H32O8 448.209718 NA MeJP NA NA +MJ065306 Exidonin C24H32O8 448.209718 NA MeJP NA NA +MJ065307 Hydroxyniranthin C24H32O8 448.209718 NA MeJP NA NA +MJ065308 Isoasatone C24H32O8 448.209718 NA MeJP NA NA +MJ065309 Ligulaverin C; 6,19-Dideacyl, 3?-angeloyloxy C24H32O8 448.209718 NA MeJP NA NA +MJ065310 Nodosin; 15?-Alcohol, 6,15-di-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065311 Polemannone; 4,4',5,5'-Tetramethoxy C24H32O8 448.209718 NA MeJP NA NA +MJ065312 Rabdokaurin D; 6-Ac C24H32O8 448.209718 NA MeJP NA NA +MJ065313 Rastronol D C24H32O8 448.209718 NA MeJP NA NA +MJ065314 Secoexsertifolin A; 16,17-Didehydro C24H32O8 448.209718 NA MeJP NA NA +MJ065315 Shikoccin; 1?-Acetoxy, 8?,14?-epoxide C24H32O8 448.209718 NA MeJP NA NA +MJ065316 Syl A C24H32O8 448.209718 NA MeJP NA NA +MJ065317 Thuridillin A C24H32O8 448.209718 NA MeJP NA NA +MJ065318 Thuridillin B C24H32O8 448.209718 NA MeJP NA NA +MetaCyc03594 estriol-16a-glucuronide [estriol-16-α-glucuronide;] C24H32O8 448.209718 NA metacyc NA NA +MetaCyc03595 estradiol-17-α-3-D-glucuronoside [] C24H32O8 448.209718 NA metacyc NA NA +HMDB04482 2-Methoxyestrone 3-glucuronide C24H32O8 448.20972 http://www.hmdb.ca/metabolites/HMDB04482 HMDB NA NA +HMDB06224 17beta-estradiol-3-glucuronide C24H32O8 448.20972 http://www.hmdb.ca/metabolites/HMDB06224 HMDB NA NA +HMDB04482 2-Methoxyestrone 3-glucuronide C24H32O8 448.20972 HMDB04482 PFEM_hmdb_metabocards_official NA NA +HMDB06224 17beta-estradiol-3-glucuronide C24H32O8 448.20972 HMDB06224 PFEM_hmdb_metabocards_official NA NA +PJ001645 GNKM C17H32N6O6S 448.2104 NA PeJP NA NA +MJ065319 N-[4-(Diethylamino)-1-methylbutylidene]-2-[2-(5-nitro-2-furanyl)ethenyl]-4-quinolinecarboxamide C25H28N4O4 448.211055 NA MeJP NA NA +PJ001646 PFW C25H28N4O4 448.2111 NA PeJP NA NA +PJ001647 LMW C22H32N4O4S 448.2144 NA PeJP NA NA +PJ001648 STLE C18H32N4O9 448.2169 NA PeJP NA NA +7982 synthetic peptide HRH 448.217 antioxidative Inhouse_peptide NA peptide +7987 synthetic peptide RHH 448.217 inhibitor Inhouse_peptide NA peptide +PJ001649 GVHH C19H28N8O5 448.2183 NA PeJP NA NA +3093 gliadin 2 exorphin YPLG 448.22 celiac toxic Inhouse_peptide NA peptide +7552 ACE inhibitor VFPS 448.22 antioxidative Inhouse_peptide NA peptide +MJ065320 1,3,7-Trihydroxy-2,8-diprenylxanthone; 7-O-(1,1-Dimethyl-2-propenoyl) C28H32O5 448.224974 NA MeJP NA NA +MJ065321 2-Geranyl-1,3,7-trihydroxy-4-prenylxanthone C28H32O5 448.224974 NA MeJP NA NA +MJ065322 4-Hydroxy-3,5-diprenylcinnamic acid, 5''-(3-Phenylpropanoyloxy) C28H32O5 448.224974 NA MeJP NA NA +MJ065323 Wightianone; 3,4-Didehydro C28H32O5 448.224974 NA MeJP NA NA +MJ065324 Usambarensine; 6'-Hydroxy C29H28N4O 448.226311 NA MeJP NA NA +PJ001650 SSQK C17H32N6O8 448.2282 NA PeJP NA NA +MJ065325 Tixocortol; 17-Butanoyl C25H36O5S 448.228344 NA MeJP NA NA +PJ001651 HHR C18H28N10O4 448.2295 NA PeJP NA NA +MJ065326 2-Bornanol, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H36O10 448.230847 NA MeJP NA NA +MJ065327 2-Bornanol, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C21H36O10 448.230847 NA MeJP NA NA +MJ065328 2-Bornanol, O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C21H36O10 448.230847 NA MeJP NA NA +MJ065329 3,3-Dimethylbicyclo[2.2.1]heptane-2-methanol, O-[D-Apio-?-D-furanosyl-(1?6)-?-D-glucopyranoside] C21H36O10 448.230847 NA MeJP NA NA +MJ065330 3,4,10,11,14-Guaianepentol, 2-Ketone, 11-O-?-D-glucopyranoside C21H36O10 448.230847 NA MeJP NA NA +MJ065331 3,7-Dimethyl-1,6-octadien-3-ol, O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C21H36O10 448.230847 NA MeJP NA NA +MJ065332 3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C21H36O10 448.230847 NA MeJP NA NA +MJ065333 3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C21H36O10 448.230847 NA MeJP NA NA +MJ065334 3,7-Dimethyl-1,6-octadien-3-ol, O-[?-DApiofuranosyl-(1?6)-?-D-glucopyranoside] C21H36O10 448.230847 NA MeJP NA NA +MJ065335 3,7-Dimethyl-2,6-octadien-1-ol, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H36O10 448.230847 NA MeJP NA NA +MJ065336 3,7-Dimethyl-2,6-octadien-1-ol, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C21H36O10 448.230847 NA MeJP NA NA +MJ065337 3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C21H36O10 448.230847 NA MeJP NA NA +MJ065338 3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C21H36O10 448.230847 NA MeJP NA NA +MJ065339 3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C21H36O10 448.230847 NA MeJP NA NA +MJ065340 3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C21H36O10 448.230847 NA MeJP NA NA +MJ065341 Lavandulol, O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C21H36O10 448.230847 NA MeJP NA NA +MJ065342 Patrinioside C21H36O10 448.230847 NA MeJP NA NA +PJ001652 GPLY C22H32N4O6 448.2322 NA PeJP NA NA +PJ001653 SVLM C19H36N4O6S 448.2356 NA PeJP NA NA +PJ001654 PPVH C21H32N6O5 448.2434 NA PeJP NA NA +MJ065343 1,10:4,5-Diepoxy-11(13)-germacrene-3,8,9-triol, 3,8-Diangeloyl C25H36O7 448.246103 NA MeJP NA NA +MJ065344 1,10:4,5-Diepoxy-11(13)-germacrene-3,8,9-triol, 3,9-Diangeloyl C25H36O7 448.246103 NA MeJP NA NA +MJ065345 1,10:4,5-Diepoxy-11(13)-germacrene-3,8,9-triol, 3-Angeloyl, 8-(3-methyl-2-butenoyl) C25H36O7 448.246103 NA MeJP NA NA +MJ065346 14,15-Epoxy-5(15)-isocedrene-9,12,14-triol, 9-(3-Methylbutanoyl), 14-(2-methylbutanoyl) C25H36O7 448.246103 NA MeJP NA NA +MJ065347 15,16-Epoxy-3,13(16),14-clerodatrien-17-ol; ent-form, 17-Carboxylic acid, xylopyranosyl ester C25H36O7 448.246103 NA MeJP NA NA +MJ065348 2,4,9-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2-Angeloyl, 4-(3-methylbutanoyl) C25H36O7 448.246103 NA MeJP NA NA +MJ065349 3,11,12,14-Tetrahydroxypregn-5-en-20-one, 11,12-Di-Ac C25H36O7 448.246103 NA MeJP NA NA +MJ065350 3,3',4,4',5,9,9'-Heptahydroxylignan, Hepta-Me ether C25H36O7 448.246103 NA MeJP NA NA +MJ065351 3,4:10,11-Diepoxy-7(14)-bisabolene-1,2,8-triol; 1,8-Diangeloyl C25H36O7 448.246103 NA MeJP NA NA +MJ065352 4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-(3,4,5-Trimethoxybenzoyl) C25H36O7 448.246103 NA MeJP NA NA +MJ065353 7,11,14-Trihydroxy-8,15-isopimaradien-18-oic acid, 7,14-Di-Ac, Me ester C25H36O7 448.246103 NA MeJP NA NA +MJ065354 8,15-Isopimaradiene-1,7,14,18-tetrol, 18-Carboxylic acid, 1,7-di-Ac, Me ester C25H36O7 448.246103 NA MeJP NA NA +MJ065355 8,15-Isopimaradiene-1,7,14,18-tetrol, 18-Carboxylic acid, 7,14-di-Ac, Me ester C25H36O7 448.246103 NA MeJP NA NA +MJ065356 Antibiotic L 731128 C25H36O7 448.246103 NA MeJP NA NA +MJ065357 Fasciospongide B C25H36O7 448.246103 NA MeJP NA NA +MJ065358 Fasciospongide C C25H36O7 448.246103 NA MeJP NA NA +MJ065359 Ingol; 8-Tigloyl C25H36O7 448.246103 NA MeJP NA NA +MJ065360 Salvileucolide; ?13(21)-Isomer, 14-hydroperoxy, 23?6 lactone C25H36O7 448.246103 NA MeJP NA NA +MJ065361 Vibsanin H; 15-Hydroperoxide C25H36O7 448.246103 NA MeJP NA NA +EUR451 Androsterone glucuronide F2 F2 448.246575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR451 Androsterone glucuronide F2 NA 448.246575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR451 Androsterone glucuronide F2 F2 448.246575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR451 Androsterone glucuronide F2 NA 448.246575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR451 Androsterone glucuronide F2 F2 448.246575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR451 Androsterone glucuronide F2 NA 448.246575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR451 Androsterone glucuronide F2 F2 448.246575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR451 Androstérone glucuronide F2 F2 448.246575 standards wishlist analysés sur QTOF HMDB NA NA +EUR451 Androsterone glucuronide F2 F2 448.246575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR451 Androsterone glucuronide F2 NA 448.246575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR451 Androsterone glucuronide F2 F2 448.246575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR451 Androsterone glucuronide F2 F2 448.246575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +C16566 Glutathionylaminopropylcadaverine C18H36N6O5S 448.2468 NA KEGG NA NA +PJ001655 ACKK C18H36N6O5S 448.2468 NA PeJP NA NA +EUR459 Dehydrotestosterone glucuronide F4 F4 448.247575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR459 Dehydrotestosterone glucuronide F4 NA 448.247575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR459 Dehydrotestosterone glucuronide F4 F4 448.247575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR459 Dehydrotestosterone glucuronide F4 NA 448.247575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR459 Dehydrotestosterone glucuronide F4 F4 448.247575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR459 Dehydrotestosterone glucuronide F4 NA 448.247575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR459 Dehydrotestosterone glucuronide F4 F4 448.247575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR459 Déhydrotestosterone glucuronide F4 F4 448.247575 standards wishlist analysés sur QTOF HMDB NA NA +EUR459 Dehydrotestosterone glucuronide F4 F4 448.247575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR459 Dehydrotestosterone glucuronide F4 NA 448.247575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR459 Dehydrotestosterone glucuronide F4 F4 448.247575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR459 Dehydrotestosterone glucuronide F4 F4 448.247575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ065362 Heliotropium europaeum Alkaloid C24H37N2O6(+) 448.257336 NA MeJP NA NA +MJ065363 15-Hydroxy-16-kauren-19-oic acid, Cinnamoyl C29H36O4 448.261359 NA MeJP NA NA +MJ065364 16,17-Dihydroxypregn-4-ene-3,20-dione, 16,17-Acetophenone cyclic ketal C29H36O4 448.261359 NA MeJP NA NA +MJ065365 16-Kaurene-3,19-diol, 19-Carboxylic acid, 3-cinnamoyl C29H36O4 448.261359 NA MeJP NA NA +MJ065366 3,28-Dihydroxy-24,30-dinor-1(10),3,5,7,20(29)-friedelapentaen-2-one; 28-Carboxylic acid, Me ester C29H36O4 448.261359 NA MeJP NA NA +MJ065367 5-Hydroxy-3,12,14-visciatrien-16,13-olide; (3-Phenylpropanoyl) C29H36O4 448.261359 NA MeJP NA NA +MJ065368 Mappain C29H36O4 448.261359 NA MeJP NA NA +MJ065369 Retinoic acid, 2-(4-Methoxyphenyl)-2-oxoethyl ester C29H36O4 448.261359 NA MeJP NA NA +C14674 16alpha,17alpha-Dihydroxyprogesterone acetophenide C29H36O4 448.2614 NA KEGG NA NA +MJ065370 Usambarensine; 3',4'-Dihydro, Nb-Me C30H33N4(+) 448.262697 NA MeJP NA NA +PJ001656 SSKK C18H36N6O7 448.2646 NA PeJP NA NA +C11297 N-Acetyl-leu-leu-tyr-amide C23H36N4O5 448.2686 NA KEGG NA NA +PJ001657 GLLF C23H36N4O5 448.2686 NA PeJP NA NA +MJ065371 26-Chloro-3-hydroxycholest-5-ene-16,22-dione C27H41ClO3 448.274422 NA MeJP NA NA +MJ065372 11,12-Epoxy-7-drimene-2,3,11-triol, 2-Angeloyl, 3-(2-methylpentanoyl) C26H40O6 448.282489 NA MeJP NA NA +MJ065373 11-Eremophilene-3,8,9-triol, 3-(4-Angeloyloxy-2Z-hexenoyl) C26H40O6 448.282489 NA MeJP NA NA +MJ065374 11-Eremophilene-3,8,9-triol, 3-(5-Angeloyloxy-2Z-hexenoyl) C26H40O6 448.282489 NA MeJP NA NA +MJ065375 17,18-Dihydroxy-19-kauranoic acid, 18-(2-Methylpropanoyl), 17-Ac C26H40O6 448.282489 NA MeJP NA NA +MJ065376 2,4,9-Trihydroxy-10(14)-oplopen-3-one, 9-(3-Methyl-2E-pentenoyl), 2-(2-methylbutanoyl) C26H40O6 448.282489 NA MeJP NA NA +MJ065377 2,6-Dolabelladiene-8,10,18-triol, Tri-Ac C26H40O6 448.282489 NA MeJP NA NA +MJ065378 2,9:3,16-Diepoxy-6-asbestinene-4,11-diol, 11-Butanoyl, 4-Ac C26H40O6 448.282489 NA MeJP NA NA +MJ065379 4(18),13-Clerodadiene-12,15,16-triol, Tri-Ac C26H40O6 448.282489 NA MeJP NA NA +MJ065380 4(20),11-Taxadiene-2,5,10,14-tetrol, 14-(2-Methylpropanoyl), 2-Ac C26H40O6 448.282489 NA MeJP NA NA +MJ065381 6,7-Dihydroxy-3,13-clerodadien-15-oic acid, 6-(2-Methylpropanoyl), 7-Ac C26H40O6 448.282489 NA MeJP NA NA +MJ065382 7,13-Labdadiene-2,15-diol, 2-Succinoyl, 15-Ac C26H40O6 448.282489 NA MeJP NA NA +MJ065383 7,15-Isopimaradiene-3,19-diol, 19-O-(4-Deoxy-?-D-threo-hex-4-enopyranoside) C26H40O6 448.282489 NA MeJP NA NA +MJ065384 7,16-Seco-7,11-trinervitadiene-3,9,15-triol, Tri-Ac C26H40O6 448.282489 NA MeJP NA NA +MJ065385 8(14)-Pimarene-3,15,16-triol, Tri-Ac C26H40O6 448.282489 NA MeJP NA NA +MJ065386 8,13-Labdadiene-6,7,15-triol, Tri-Ac C26H40O6 448.282489 NA MeJP NA NA +MJ065387 Homoancepsenolide; 7'',8''-Didehydro, 3,4-dihydro, 4-acetoxy C26H40O6 448.282489 NA MeJP NA NA +MJ065388 Pregn-5-ene-3,11,12,14,20-pentol, 11-O-(3-Methyl-2-butenoyl) C26H40O6 448.282489 NA MeJP NA NA +MJ065389 Pregn-5-ene-3,11,12,14,20-pentol, Mono-O-tigloyl C26H40O6 448.282489 NA MeJP NA NA +MJ065390 Salvileucolide; Me ester C26H40O6 448.282489 NA MeJP NA NA +MJ065391 24-Hydroxy-3-oxocycloarta-1,11,25-trien-21-oic acid, 21?24 Lactone C30H40O3 448.297745 NA MeJP NA NA +MJ065392 3-Oxocycloarta-1,11,24-trien-21,23-olide C30H40O3 448.297745 NA MeJP NA NA +MJ065393 5,8-Epoxy-5,8-dihydro-3-hydroxy-8'-apo-?,?-carotenal C30H40O3 448.297745 NA MeJP NA NA +MJ065394 8,11';12,12'-Bi[1(10),7-eremophiladien-9-one]; 11?-Hydroxy C30H40O3 448.297745 NA MeJP NA NA +MJ065395 Chamaecydin C30H40O3 448.297745 NA MeJP NA NA +MJ065396 Cryptomanhydride C30H40O3 448.297745 NA MeJP NA NA +MJ065397 Versicolactone D C30H40O3 448.297745 NA MeJP NA NA +MJ065398 Xylopia guaiane dimer C30H40O3 448.297745 NA MeJP NA NA +MJ065399 Trybizine C20H36N10O2 448.30227 NA MeJP NA NA +MJ065400 Alfileramine; Na-De-Me C29H40N2O2 448.308978 NA MeJP NA NA +MJ065401 Alfileramine; Nb-De-Me C29H40N2O2 448.308978 NA MeJP NA NA +MJ065402 13,17,19-Villanovanetriol, 19-O-(3-Methylbutanoyl), 17-Ac C27H44O5 448.318874 NA MeJP NA NA +MJ065403 2,3,14,26-Tetrahydroxycholest-7-en-6-one C27H44O5 448.318874 NA MeJP NA NA +MJ065404 2,3,22,25-Tetrahydroxycholest-7-en-6-one C27H44O5 448.318874 NA MeJP NA NA +MJ065405 22,25-Epoxyfurostane-1,3,26-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065406 3,13,17-Villanovanetriol, 3-O-(3-Methylbutanoyl), 17-Ac C27H44O5 448.318874 NA MeJP NA NA +MJ065407 3,14,20,25-Tetrahydroxycholest-7-en-6-one C27H44O5 448.318874 NA MeJP NA NA +MJ065408 3,14,22,25-Tetrahydroxycholest-7-en-6-one C27H44O5 448.318874 NA MeJP NA NA +MJ065409 3,14,22,25-Tetrahydroxycholest-8-en-6-one C27H44O5 448.318874 NA MeJP NA NA +MJ065410 3,22,26-Trihydroxyfurostan-12-one C27H44O5 448.318874 NA MeJP NA NA +MJ065411 3,5,14,25-Tetrahydroxycholest-7-en-6-one C27H44O5 448.318874 NA MeJP NA NA +MJ065412 3,7,12,22-Tetrahydroxycholestan-26-oic acid ?-lactone C27H44O5 448.318874 NA MeJP NA NA +MJ065413 3,7,12-Trihydroxycholest-23-en-26-oic acid C27H44O5 448.318874 NA MeJP NA NA +MJ065414 6,16,17-Kauranetriol, 17-(2-Methylbutanoyl), 6-Ac C27H44O5 448.318874 NA MeJP NA NA +MJ065415 7,16,17-Kauranetriol, 17-(2-Methylbutanoyl), 7-Ac C27H44O5 448.318874 NA MeJP NA NA +MJ065416 9,11-Epoxycholest-7-ene-3,5,6,19-tetrol C27H44O5 448.318874 NA MeJP NA NA +MJ065417 Cholesta-7,14-diene-3,5,6,20,25-pentol C27H44O5 448.318874 NA MeJP NA NA +MJ065418 Funchaligenin C27H44O5 448.318874 NA MeJP NA NA +MJ065419 Spirostane-1,2,3-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065420 Spirostane-1,3,25-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065421 Spirostane-1,3,27-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065422 Spirostane-1,3,5-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065423 Spirostane-2,3,11-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065424 Spirostane-2,3,12-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065425 Spirostane-2,3,15-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065426 Spirostane-2,3,19-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065427 Spirostane-2,3,23-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065428 Spirostane-2,3,27-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065429 Spirostane-2,3,4-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065430 Spirostane-2,3,5-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065431 Spirostane-2,3,6-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065432 Spirostane-3,5,6-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065433 Spirostane-3,6,23-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065434 Spirostane-3,6,25-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065435 Spirostane-x,y,z-triol C27H44O5 448.318874 NA MeJP NA NA +MJ065436 Xestobergsterol B; 1,2-Dideoxy C27H44O5 448.318874 NA MeJP NA NA +C08890 Convallagenin A C27H44O5 448.3189 NA KEGG NA NA +C08896 Digitogenin C27H44O5 448.3189 NA KEGG NA NA +C16495 2-Deoxyecdysone C27H44O5 448.3189 NA KEGG NA NA +MJ065437 2-Methyl-2-(polyprenylmethyl)-2H-1-benzopyran-6-ol; 2-Methyl-2-(tetraprenylmethyl)-2H-1-benzopyran-6-ol C31H44O2 448.33413 NA MeJP NA NA +MJ065438 2-Polyprenyl-1,4-benzenediol; 2-Pentaprenyl-1,4-benzenediol, Quinone C31H44O2 448.33413 NA MeJP NA NA +MJ065439 Difurospinosulin C31H44O2 448.33413 NA MeJP NA NA +MJ065440 2-Hexaprenyl-6-methoxyphenol C31H44O2 448.33413 NA MeJP NA NA +MJ065441 Crambine A C24H44N6O2 448.352574 NA MeJP NA NA +MJ065442 2,3,22,23-Tetrahydroxyergost-24(28)-en-6-one, 6-Deoxo C28H48O4 448.35526 NA MeJP NA NA +MJ065443 2-Heneicosyl-3,6-dihydroxy-5-methyl-1,4-benzoquinone C28H48O4 448.35526 NA MeJP NA NA +MJ065444 3,22,23-Trihydroxyergostan-6-one C28H48O4 448.35526 NA MeJP NA NA +MJ065445 5,6-Epoxyergostane-3,22,25-triol C28H48O4 448.35526 NA MeJP NA NA +MJ065446 Ergost-22-ene-3,5,6,25-tetrol C28H48O4 448.35526 NA MeJP NA NA +MJ065447 Ergost-24(28)-ene-1,3,5,6-tetrol C28H48O4 448.35526 NA MeJP NA NA +MJ065448 Ergost-24(28)-ene-3,5,6,19-tetrol C28H48O4 448.35526 NA MeJP NA NA +MJ065449 Ergost-24(28)-ene-3,6,9,19-tetrol C28H48O4 448.35526 NA MeJP NA NA +MJ065450 Ergost-25-ene-1,3,5,6-tetrol C28H48O4 448.35526 NA MeJP NA NA +MJ065451 Ergost-5-ene-3,22,25,28-tetrol C28H48O4 448.35526 NA MeJP NA NA +MJ065452 Ergost-5-ene-3,7,24,28-tetrol C28H48O4 448.35526 NA MeJP NA NA +MJ065453 Ergosta-7,22-diene-3,5,6,9-tetrol, 22,23-Dihydro C28H48O4 448.35526 NA MeJP NA NA +MJ065454 Margosinolone; 7'-Deoxy, 8'-oxo C28H48O4 448.35526 NA MeJP NA NA +MetaCyc03596 typhasterol [] C28H48O4 448.35526 NA metacyc NA NA +MetaCyc03597 teasterone [] C28H48O4 448.35526 NA metacyc NA NA +C15791 Teasterone C28H48O4 448.3553 NA KEGG NA NA +C15793 Typhasterol C28H48O4 448.3553 NA KEGG NA NA +MJ065455 24-Ethyl-5,6-secocholest-7-ene-3,5,6-triol C29H52O3 448.391645 NA MeJP NA NA +MJ065456 6-Heneicosyl-1,2,4-benzenetriol; 2,4-Di-Me ether C29H52O3 448.391645 NA MeJP NA NA +MJ065457 Stigmastane-3,5,6-triol C29H52O3 448.391645 NA MeJP NA NA +MJ065458 ?-Tocopherolhydroquinone C29H52O3 448.391645 NA MeJP NA NA +MJ065459 19,23-Triacontadienoic acid C30H56O2 448.428031 NA MeJP NA NA +MJ065460 5,9-Triacontadienoic acid C30H56O2 448.428031 NA MeJP NA NA +MJ065461 9,23-Triacontadienoic acid C30H56O2 448.428031 NA MeJP NA NA +MJ065462 1-Cyclopentyl-4-hexacosanone C31H60O 448.464416 NA MeJP NA NA +MJ065463 7-Hentriaconten-16-one C31H60O 448.464416 NA MeJP NA NA +MJ065464 8-Methyl-3-hentriacontene C32H64 448.500802 NA MeJP NA NA +8160 ACE inhibitor from b-CN (202-209) RGPFPIIV 448.765 MH2+ Inhouse_peptide NA peptide +MJ065465 Iodoxyl C8H5I2NO5 448.825709 NA MeJP NA NA +MJ065466 Ormaplatin C6H14Cl4N2Pt 448.955883 NA MeJP NA NA +C08106 Cefoxitin sodium C16H16N3O7S2 449.0327 NA KEGG NA NA +MJ065467 6-(Methylthio)hexyl glucosinolate C14H27NO9S3 449.084793 NA MeJP NA NA +C17250 Glucolesquerellin C14H27NO9S3 449.0848 NA KEGG NA NA +C10983 Cyhalothrin C23H19ClF3NO3 449.1006 NA KEGG NA NA +FL7AACGA0001 Idaein;Cyanidin 3-galactoside;Cyanidin 3-O-galactoside C21H21O11 449.10838 27661-36-5 knapsack NA NA +FL7AACGL0001 Cyanidin 3-O-glucoside;Chrysanthemin C21H21O11 449.10838 7084-24-4 knapsack NA NA +FL7AACGS0004 Cyanidin 4'-glucoside C21H21O11 449.10838 802884-14-6 knapsack NA NA +FL7AAGGS0002 Delphinidin 3-rhamnoside C21H21O11 449.10838 29907-19-5 knapsack NA NA +FL7AAHGS0001 Petunidin 3-arabinoside C21H21O11 449.10838 28500-03-0 knapsack NA NA +FL7AEAGL0002 6-Hydroxypelargonidin 3-glucoside C21H21O11 449.10838 554450-51-0 knapsack NA NA +MetaCyc03598 cyanidin-3-O-β-D-glucoside [cyanidin-3-O-glucoside;] C21H21O11 449.108387 NA metacyc NA NA +MetaCyc03599 cyanidin 5-O-β-D-glucoside [] C21H21O11 449.108387 NA metacyc NA NA +C08604 Chrysanthemin C21H21O11 449.1084 NA KEGG NA NA +C08647 Cyanidin 3-O-galactoside C21H21O11 449.1084 NA KEGG NA NA +C16298 Cyanidin 5-O-glucoside C21H21O11 449.1084 NA KEGG NA NA +MJ065468 N-[[5-[2-(2-Amino-1,4,5,6,7,8-hexahydro-4-oxopyrido[2,3-d]pyrimidin-6-yl)ethyl]-2-thienyl]carbonyl]glutamic acid C19H23N5O6S 449.136904 NA MeJP NA NA +PJ001658 SNDD C15H23N5O11 449.1394 NA PeJP NA NA +PJ001659 PCCQ C16H27N5O6S2 449.1403 NA PeJP NA NA +MJ065469 1-[2-Hydroxy-5-(1H-tetrazol-5-yl)phenyl]-3-[4-(2-quinolinylmethoxy)phenyl]-2-propen-1-one C26H19N5O3 449.148789 NA MeJP NA NA +MJ065470 2-Cyclopropyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]oxy]-4-quinolinecarboxylic acid C26H19N5O3 449.148789 NA MeJP NA NA +MJ065471 Trichanthin A C22H27NO7S 449.150822 NA MeJP NA NA +PJ001660 GNEM C16H27N5O8S 449.1581 NA PeJP NA NA +MJ065472 Oxetacillin; Methoxymethyl ester C21H27N3O6S 449.162056 NA MeJP NA NA +MJ065473 Lycorine, O1-?-D-Glucopyranoside C22H27NO9 449.168581 NA MeJP NA NA +PJ001661 GCDR C15H27N7O7S 449.1693 NA PeJP NA NA +MJ065474 Naamidine A; 14-Hydroxy C23H23N5O5 449.169918 NA MeJP NA NA +MJ065475 Glisoxepide C20H27N5O5S 449.173289 NA MeJP NA NA +PJ001662 NMW C20H27N5O5S 449.1733 NA PeJP NA NA +PJ001663 SSQE C16H27N5O10 449.1758 NA PeJP NA NA +PJ001664 PCCK C17H31N5O5S2 449.1767 NA PeJP NA NA +MJ065476 3-([3,3'-Bithiophen]-5-ylmethoxy)-N-(6,6-dimethyl-2-hepten-4-ynyl)-N-ethylbenzenemethanamine C27H31NOS2 449.184705 NA MeJP NA NA +PJ001665 GSTW C20H27N5O7 449.1911 NA PeJP NA NA +MJ065477 Ciclotropium(1+), Bromide C24H36BrNO2 449.192942 NA MeJP NA NA +PJ001666 GDKM C17H31N5O7S 449.1944 NA PeJP NA NA +MJ065478 Utibaprilat; 1'-Et ester C22H31N3O5S 449.198441 NA MeJP NA NA +MJ065479 Anacrotine; (E)-Isomer, O6-angeloyl, N-oxide C23H31NO8 449.204966 NA MeJP NA NA +MJ065480 Belladine; O4'',N-Di-de-Me, O4''-?-D-glucopyranoside C23H31NO8 449.204966 NA MeJP NA NA +PJ001667 GSMR C16H31N7O6S 449.2057 NA PeJP NA NA +PJ001668 HFF C24H27N5O4 449.2063 NA PeJP NA NA +PJ001669 SSKE C17H31N5O9 449.2122 NA PeJP NA NA +MJ065481 Pretiadil C26H31N3O2S 449.213697 NA MeJP NA NA +MJ065482 Hetisan-1,2,9,15-tetrol, 2-Benzoyl C27H31NO5 449.220223 NA MeJP NA NA +MJ065483 Ignavine C27H31NO5 449.220223 NA MeJP NA NA +MJ065484 Paspalinine; 14?-Hydroxy C27H31NO5 449.220223 NA MeJP NA NA +MJ065485 Ryosenaminol; O2-Benzoyl, 7?-hydroxy C27H31NO5 449.220223 NA MeJP NA NA +PJ001670 SSTR C16H31N7O8 449.2234 NA PeJP NA NA +PJ001671 GVQF C21H31N5O6 449.2275 NA PeJP NA NA +PJ001672 ATKM C18H35N5O6S 449.2308 NA PeJP NA NA +MJ065486 Alkaloid LBZ; 22-Ketone C26H31N3O4 449.231456 NA MeJP NA NA +MJ065487 Cadabicine; Me ether C26H31N3O4 449.231456 NA MeJP NA NA +MJ065488 N-[3-[4-[[4-(3,4-Dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl]carbonyl]phenoxy]propyl]acetamide C26H31N3O4 449.231456 NA MeJP NA NA +PJ001673 QFR C20H31N7O5 449.2387 NA PeJP NA NA +MJ065489 Bonvalol; 6-Ketone C24H35NO7 449.241352 NA MeJP NA NA +MJ065490 Caerunine C24H35NO7 449.241352 NA MeJP NA NA +MJ065491 Gadesine; 14-Ketone, 18-methoxy C24H35NO7 449.241352 NA MeJP NA NA +MJ065492 Monticamine; 9?-Hydroxy, O8-Ac C24H35NO7 449.241352 NA MeJP NA NA +MJ065493 Takaonine C24H35NO7 449.241352 NA MeJP NA NA +MJ065494 Vaginatine; 6,14-Diketone C24H35NO7 449.241352 NA MeJP NA NA +MJ065495 Mutamicin 1B C18H35N5O8 449.248563 NA MeJP NA NA +PJ001674 TTTK C18H35N5O8 449.2486 NA PeJP NA NA +MJ065496 N2-[[[5-[6-(Dimethylamino)-9H-purin-9-yl]pentyl]oxy]carbonyl]arginine C19H31N9O4 449.2499 NA MeJP NA NA +C11330 N-Acetyl-leu-leu-tyr C23H35N3O6 449.2526 NA KEGG NA NA +MJ065497 18-Hydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6,13,19-triene-1,21-dione; 12-Hydroxy C28H35NO4 449.256608 NA MeJP NA NA +MJ065498 18-Hydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6,13,19-triene-1,21-dione; 6?,7?-Epoxide C28H35NO4 449.256608 NA MeJP NA NA +MJ065499 7,18,19-Trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(12),13-diene-1,21-dione; 19-Deoxy, 19,20-didehydro (E-) C28H35NO4 449.256608 NA MeJP NA NA +PJ001675 GVKF C22H35N5O5 449.2638 NA PeJP NA NA +MJ065500 Difluanazine C28H33F2N3 449.264254 NA MeJP NA NA +MJ065501 Tyrosylarginylisoleucinamide; L-L-L-form C21H35N7O4 449.275052 NA MeJP NA NA +PJ001676 KFR C21H35N7O4 449.2751 NA PeJP NA NA +C08671 Condelphine C25H39NO6 449.2777 NA KEGG NA NA +C08682 Erythrophleguine C25H39NO6 449.2777 NA KEGG NA NA +MJ065502 Bicolorine; O1,O8,O14-Tri-Me, N-de-Et, O6-Ac C25H39NO6 449.277737 NA MeJP NA NA +MJ065503 Bicolorine; O8-Me, O6-Ac C25H39NO6 449.277737 NA MeJP NA NA +MJ065504 Delpheline C25H39NO6 449.277737 NA MeJP NA NA +MJ065505 Erythrophlamine C25H39NO6 449.277737 NA MeJP NA NA +MJ065506 Erythrophleguine C25H39NO6 449.277737 NA MeJP NA NA +MJ065507 Erythrosuamine C25H39NO6 449.277737 NA MeJP NA NA +MJ065508 Karakoline; 12?-Hydroxy, O14-Me, O8-Ac C25H39NO6 449.277737 NA MeJP NA NA +MJ065509 Norerythrostachaldine; O3-Ac C25H39NO6 449.277737 NA MeJP NA NA +MJ065510 Nudicaulamine C25H39NO6 449.277737 NA MeJP NA NA +MJ065511 Talatizamine; O1-De-Me, 14-Ac C25H39NO6 449.277737 NA MeJP NA NA +C00908 Gentamicin C1a C19H39N5O7 449.2849 NA KEGG NA NA +MJ065512 Antibiotic Y 02077H?; N-De-Me C19H39N5O7 449.284948 NA MeJP NA NA +MJ065513 Gentamicin C; Gentamicin C2, 4''-Demethyl C19H39N5O7 449.284948 NA MeJP NA NA +MJ065514 Gentamicin C; Gentamicin C2b, 3''-N-De-Me C19H39N5O7 449.284948 NA MeJP NA NA +MetaCyc03600 gentamicin-C1a [] C19H39N5O7 449.284949 26098-04-4 metacyc NA NA +MJ065515 Onapristone C29H39NO3 449.292994 NA MeJP NA NA +MJ065516 Severibuxine C29H39NO3 449.292994 NA MeJP NA NA +C04721 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oylglycine C26H43NO5 449.3141 NA KEGG NA NA +C05464 Glycodeoxycholate C26H43NO5 449.3141 NA KEGG NA NA +C05466 Glycochenodeoxycholate C26H43NO5 449.3141 NA KEGG NA NA +HMDB00631 Deoxycholic acid glycine conjugate C26H43NO5 449.314117 NA HMDB2010 NA NA +HMDB00637 Chenodeoxycholic acid glycine conjugate C26H43NO5 449.314117 NA HMDB2010 NA NA +HMDB00708 Glycoursodeoxycholic acid C26H43NO5 449.314117 NA HMDB2010 NA NA +HMDB06898 Chenodeoxyglycocholic acid C26H43NO5 449.314117 NA HMDB2010 NA NA +HMDB00637 Chenodeoxycholic acid glycine conjugate C26H43NO5 449.31412 http://www.hmdb.ca/metabolites/HMDB00637 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00708 Glycoursodeoxycholic acid C26H43NO5 449.31412 http://www.hmdb.ca/metabolites/HMDB00708 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00631 Deoxycholic acid glycine conjugate C26H43NO5 449.31412 http://www.hmdb.ca/metabolites/HMDB00631 HMDB NA NA +HMDB00637 Chenodeoxycholic acid glycine conjugate C26H43NO5 449.31412 http://www.hmdb.ca/metabolites/HMDB00637 HMDB NA NA +HMDB00708 Glycoursodeoxycholic acid C26H43NO5 449.31412 http://www.hmdb.ca/metabolites/HMDB00708 HMDB NA NA +HMDB06898 Chenodeoxyglycocholate C26H43NO5 449.31412 http://www.hmdb.ca/metabolites/HMDB06898 HMDB NA NA +HMDB00637 Chenodeoxycholic acid glycine conjugate C26H43NO5 449.31412 NA ;SYN:6-Amino-n-hexanoic acid; 6-Aminocaproic acid; 6-Aminohexanoate; 6-amino-Hexanoic acid; 6-aminohexanoic acid; Acepramin; Acepramine; Acikaprin; Afibrin; Amicar; Amikar; Aminokapron; Atsemin; Caplamin; Capracid; Capramol; Capranol; Caprocid; Caprolisin; Epsamon; Epsicapron; Epsikapron; Epsillon-Aminocaproic acid' Epsilcapramin; Epsilcapramine; Epsilon S; H-6-Ahx-OH; H-EAhx-OH; H-epsilon-Acp-OH; Hemocaprol; Hemopar; Hepin; Ipsilon; Respramin; e-Amino-n-hexanoic acid; e-Aminocaproate; e-Aminocaproic acid USP; e-Aminohexanoic acid; e-Leucine; e-Norleucine; epsilon-Aminocaproic acid; epsilon-Norleucine; epsilon-S; omega-Aminocaproic acid; omega-Aminohexanoic acid; w-Aminocaproic acid; w-Aminohexanoic acid; epsilon-Amino-n-hexanoic acid; epsilon-Aminocaproate; epsilon-Aminocaproic acid USP; epsilon-Aminohexanoic acid; epsilon-Leucine; 6-Amino-n-hexanoate; 6-Aminocaproate; 6-amino-Hexanoate; Epsillon-Aminocaproate; e-Amino-n-hexanoate; e-Aminocaproic acid; e-Aminohexanoate; omega-Aminocaproate; omega-Aminohexanoate; w-Aminocaproate; w-Aminohexanoate; epsilon-Amino-n-hexanoate; epsilon-Aminohexanoate; Epsillon-Aminocaproic acidH2Blood Inhouse_peptide NA peptide +HMDB00708 Glycoursodeoxycholic acid C26H43NO5 449.31412 Long chain acyl carnitines ;SYN:H2Blood; Urine Inhouse_peptide NA peptide +HMDB00637 Chenodeoxycholic acid glycine conjugate C26H43NO5 449.31412 http://www.hmdb.ca/metabolites/HMDB00637 PFEM_hmdb_metabocards_blood NA blood +HMDB00708 Glycoursodeoxycholic acid C26H43NO5 449.31412 http://www.hmdb.ca/metabolites/HMDB00708 PFEM_hmdb_metabocards_blood NA blood +HMDB00631 Deoxycholic acid glycine conjugate C26H43NO5 449.31412 HMDB00631 PFEM_hmdb_metabocards_official NA NA +HMDB00637 Chenodeoxycholic acid glycine conjugate C26H43NO5 449.31412 HMDB00637 PFEM_hmdb_metabocards_official NA NA +HMDB00708 Glycoursodeoxycholic acid C26H43NO5 449.31412 HMDB00708 PFEM_hmdb_metabocards_official NA NA +HMDB06898 Chenodeoxyglycocholate C26H43NO5 449.31412 HMDB06898 PFEM_hmdb_metabocards_official NA NA +MJ065517 3,12-Dihydroxycholan-24-oic acid, Glycine amide C26H43NO5 449.314123 NA MeJP NA NA +MJ065518 3,6-Dihydroxycholan-24-oic acid, Glycine amide C26H43NO5 449.314123 NA MeJP NA NA +MJ065519 3,7-Dihydroxycholan-24-oic acid, Glycine amide C26H43NO5 449.314123 NA MeJP NA NA +MJ065520 Talatizamine; O8-Et C26H43NO5 449.314123 NA MeJP NA NA +MetaCyc03601 glycodeoxycholate [glycodeoxycholic acid;] C26H43N1O5 449.314123 360-65-6 metacyc NA NA +MetaCyc03602 glycochenodeoxycholate [glycochenodeoxycholic acid;] C26H43N1O5 449.314123 640-79-9 metacyc NA NA +CJneg0605 Chenodeoxyglycocholic acid [(M-H)]- C26H42NO5 449.314625 C18rt(min)=8.86 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0605 Chenodeoxyglycocholic acid [(M-H)]- C26H42NO5 449.314625 C18rt(min)=8.86 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ065521 Mycalazoles; Mycalazole 1 C30H43NO2 449.329379 NA MeJP NA NA +7852 NA YGGFMRGL 449.7097 MH2+ Inhouse_peptide NA peptide +3415 ACE inhibitor PANIKWGD 449.7184 MH2+ Inhouse_peptide NA peptide +MJ065522 Eckol; 4'-Bromo C18H11BrO9 449.958644 NA MeJP NA NA +MJ065523 Magnesium citrate C12H10Mg3O14 449.96218 NA MeJP NA NA +MJ065524 1,8-Dihydroxy-3-(hydroxymethyl)-2,4,5,7-tetranitroanthraquinone C15H6N4O13 449.993136 NA MeJP NA NA +MJ065525 ?-(1-Bromo-3-hexenyl)-5-(1-bromo-2-propynyl)tetrahydro-3-hydroxy-2-furanethanol; Ac C17H24Br2O4 450.004134 NA MeJP NA NA +MJ065526 Noprylsulfamide C15H18N2O8S3 450.022527 NA MeJP NA NA +MJ065527 Diethyl 4-[(4-bromo-2-cyanophenyl)carbamoyl]benzylphosphonate C19H20BrN2O4P 450.034406 NA MeJP NA NA +MJ065528 Clofibric acid; Magnesium salt (2:1) C20H20Cl2MgO6 450.048735 NA MeJP NA NA +MJ065529 Rhodocomatulin; 5,7-Di-Me ether, 2-sulfate C20H18O10S 450.062067 NA MeJP NA NA +MJ065530 5-[(3,5-Dichlorophenyl)thio]-4-(1-methylethyl)-1-(4-pyridinylmethyl)-1H-imidazole-2-methanol; Carbamoyl C20H20Cl2N4O2S 450.068402 NA MeJP NA NA +MJ065531 Oxysonium(1+), Iodide C18H27IO3S 450.072558 NA MeJP NA NA +FL5FACGS0063 Quercetin 4'-galactoside C20H18O12 450.07982 - knapsack NA NA +FL5FAGGS0001 Myricetin 3-alpha-L-arabinofuranoside C20H18O12 450.07982 35589-22-1 knapsack NA NA +FL5FAGGS0002 Myricetin 3-alpha-L-arabinopyranoside C20H18O12 450.07982 132679-85-7<BR>38888-65-2 knapsack NA NA +FL5FAGGS0003 Myricetin 3-xyloside C20H18O12 450.07982 102849-44-5 knapsack NA NA +FL5FAGGS0007 Myricetin 3'-xyloside C20H18O12 450.07982 75979-33-8 knapsack NA NA +MJ065532 2,3,4-Trihydroxybutanoic acid, 4-O-(3,4-Dihydroxy-E-cinnamoyl)2-O-(3,4,5-trihydroxybenzoyl) C20H18O12 450.079826 NA MeJP NA NA +MJ065533 3,3',4',5,5',7-Hexahydroxyflavone; 3'-O-?-D-Xylopyranoside C20H18O12 450.079826 NA MeJP NA NA +MJ065534 3,3',4',5,5',7-Hexahydroxyflavone; 3'-O-L-Arabinoside C20H18O12 450.079826 NA MeJP NA NA +MJ065535 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-Arabinoside C20H18O12 450.079826 NA MeJP NA NA +MJ065536 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-D-Xyloside C20H18O12 450.079826 NA MeJP NA NA +MJ065537 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-L-Arabinofuranoside C20H18O12 450.079826 NA MeJP NA NA +MJ065538 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-L-Arabinopyranoside C20H18O12 450.079826 NA MeJP NA NA +MJ065539 3,3',4',5,5',7-Hexahydroxyflavone; 7-O-Arabinoside C20H18O12 450.079826 NA MeJP NA NA +C10593 Exserohilone C20H22N2O6S2 450.0919 NA KEGG NA NA +MJ065540 Epoxyexserohilone C20H22N2O6S2 450.091927 NA MeJP NA NA +MJ065541 Exserohilone C20H22N2O6S2 450.091927 NA MeJP NA NA +MJ065542 5-(2-p-Coumaroyl)maesopsin C24H18O9 450.095082 NA MeJP NA NA +MJ065543 6-[[3-(2,4-Dihydroxy-6-methylbenzoyl)-4,5,7-trihydroxy-2-naphthalenyl]methyl]-4-hydroxy-2H-pyran-2-one C24H18O9 450.095082 NA MeJP NA NA +MJ065544 7-(2-p-Coumaroyl)maesopsin C24H18O9 450.095082 NA MeJP NA NA +MJ065545 Palmarumycin C15; 3-Ketone, di-Ac C24H18O9 450.095082 NA MeJP NA NA +MJ065546 3-Chloro-8,9,14-trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Tigloyl, 14-Ac C22H23ClO8 450.108145 NA MeJP NA NA +MJ065547 3-Chloro-8,9-dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(2-Acetoxymethyl-2E-butenoyl) C22H23ClO8 450.108145 NA MeJP NA NA +MJ065548 2,2',3,3',7,7'-Hexahydroxy-1,1'-biphenanthrene C28H18O6 450.110338 NA MeJP NA NA +C09803 Neoastilbin C21H22O11 450.1162 NA KEGG NA NA +C16408 2',3,4,4',6'-Peptahydroxychalcone 4'-O-glucoside C21H22O11 450.1162 NA KEGG NA NA +C17449 Astilbin C21H22O11 450.1162 NA KEGG NA NA +C17675 Neocarthamin C21H22O11 450.1162 NA KEGG NA NA +FL1BAAGS0001 Hovetrichoside C;2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 4-O-glucoside;Maesopsin 4-O-glucoside C21H22O11 450.11621 210050-28-5 knapsack NA NA +FL1BAAGS0002 2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 6-beta-D-glucopyranoside;Maesopsin 6-beta-D-glucopyranoside C21H22O11 450.11621 196102-61-1 knapsack NA NA +FL1C2CGS0001 Stillopsin C21H22O11 450.11621 72241-26-0 knapsack NA NA +FL1C3CGS0001 Okanin 3'-glucoside C21H22O11 450.11621 115070-76-3 knapsack NA NA +FL1C3CGS0002 Marein C21H22O11 450.11621 535-96-6 knapsack NA NA +FL1CACGS0001 3,4,2',4',6'-Pentahydroxychalcone 2'-glucoside C21H22O11 450.11621 20126-63-0 knapsack NA NA +FL1CACGS0002 3,4,2',4',6'-Pentahydroxychalcone 4'-glucoside C21H22O11 450.11621 123537-97-3 knapsack NA NA +FL2F3CGS0001 Isookaninglucoside C21H22O11 450.11621 577-38-8 knapsack NA NA +FL2FA8GS0004 5,7,2',5'-Tetrahydroxyflavanone 7-glucoside;Coccinoside B C21H22O11 450.11621 146555-77-3 knapsack NA NA +FL2FACCS0001 8-C-Glucopyranosyleriodictylol C21H22O11 450.11621 153733-96-1 knapsack NA NA +FL2FACGS0003 Eriodictyol 5-O-glucoside C21H22O11 450.11621 103617-12-5 knapsack NA NA +FL2FACGS0004 Eriodictyol 7-O-glucoside C21H22O11 450.11621 38965-51-4 knapsack NA NA +FL2FACGS0006 Eriodictyol 3'-O-glucoside C21H22O11 450.11621 69284-90-8 knapsack NA NA +FL2FACGS0012 (2R)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside C21H22O11 450.11621 308850-46-6 knapsack NA NA +FL2FACGS0013 (2S)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside C21H22O11 450.11621 118040-45-2 knapsack NA NA +FL2FALGS0001 Stepposide C21H22O11 450.11621 20194-60-9 knapsack NA NA +FL2FALGS0002 Steppogenin 4'-O-beta-D-glucoside;5,7,2',4'-Tetrahydroxyflavanone 4'-glucoside C21H22O11 450.11621 247031-40-9 knapsack NA NA +FL2FEAGS0001 Carthamidin 5-glucoside C21H22O11 450.11621 519-39-1 knapsack NA NA +FL2FFAGS0002 Isocarthamidin 8-glucoside;5,7,8,4'-Tetrahydroxyflavanone 8-glucoside C21H22O11 450.11621 164920-57-4 knapsack NA NA +FL2FHYGS0001 2,5,7,4'-Tetrahydroxyflavanone 7-glucoside C21H22O11 450.11621 303049-59-4 knapsack NA NA +FL4D1CGS0001 Fustin 3-glucoside C21H22O11 450.11621 19209-39-9 knapsack NA NA +FL4DA8GS0001 3,5,7,2',5'-Pentahydroxyflavanone 3-rhamnoside C21H22O11 450.11621 157072-27-0 knapsack NA NA +FL4DA9GS0002 (2R,3R)-3,5,7,3',5'-Pentahydroxyflavanone 3-rhamnoside C21H22O11 450.11621 677274-17-8 knapsack NA NA +FL4DA9GS0003 Smitilbin;(2R,3S)-3,5,7,3',5'-Pentahydroxyflavanone 3-rhamnoside C21H22O11 450.11621 222846-33-5 knapsack NA NA +FL4DA9GS0004 Neosmitilbin;(2S,3S)-3,5,7,3',5'-Pentahydroxyflavanone 3-rhamnoside C21H22O11 450.11621 452962-93-5 knapsack NA NA +FL4DAACS0001 6-C-Glucopyranosyldihydrokaempferol;Aromadendrin 6-C-glucoside;(2R,3R)-6-beta-D-Glucopyranosyl-2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C21H22O11 450.11621 112494-34-5 knapsack NA NA +FL4DAACS0002 8-C-Glucosyldihydrokaempferol C21H22O11 450.11621 364353-6 knapsack NA NA +FL4DAAGS0002 Aromadendrin 3-galactoside C21H22O11 450.11621 122170-66-5 knapsack NA NA +FL4DAAGS0003 Aromadendrin 3-glucoside C21H22O11 450.11621 31049-08-8 knapsack NA NA +FL4DAAGS0006 Sinensin C21H22O11 450.11621 28189-90-4 knapsack NA NA +FL4DAAGS0009 Aromadendrin 4'-glucoside C21H22O11 450.11621 87314-52-1 knapsack NA NA +FL4DACGS0011 Astilbin C21H22O11 450.11621 29838-67-3 knapsack NA NA +FL4DACGS0012 Isoastibin C21H22O11 450.11621 54081-48-0 knapsack NA NA +FL4DACGS0013 Neoisoastilbin C21H22O11 450.11621 54141-72-9 knapsack NA NA +FL4DACGS0014 Neoastilbin C21H22O11 450.11621 54081-47-9 knapsack NA NA +FL4DACGS0018 Taxifolin 7-rhamnoside C21H22O11 450.11621 137592-12-2 knapsack NA NA +FL4DBCGS0001 Dihydrorhamnetin 3-O-beta-D-arabinopyranoside C21H22O11 450.11621 214839-45-9 knapsack NA NA +FLIBALCS0001 Macrocarposide C21H22O11 450.11621 105798-86-5 knapsack NA NA +MJ065549 1,2,3,7-Tetrahydroxyxanthone; 2,7-Di-Me ether, 3-O-?-D-glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065550 1,2,6,8-Tetrahydroxyxanthone; 1,6-Di-Me ether, 8-O-?-D-glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065551 1,2,6,8-Tetrahydroxyxanthone; 2,6-Di-Me ether, 8-O-?-D-glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065552 1,2,6,8-Tetrahydroxyxanthone; 2,8-Di-Me ether, 6-O-?-D-glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065553 1,3,4,5-Tetrahydroxyxanthone; 4,5-Di-Me ether, 1-O-?-D-glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065554 1,3,4,5-Tetrahydroxyxanthone; 4,5-Di-Me ether, 3-O-?-D-glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065555 1,3,4,7-Tetrahydroxyxanthone; 3,4-Di-Me ether, 7-O-?-D-glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065556 1,3,4,7-Tetrahydroxyxanthone; 4,7-Di-Me ether, 3-O-?-D-glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065557 1,3,5,8-Tetrahydroxyxanthone; 3,5-Di-Me ether, 1-O-?-D-glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065558 1,3,5,8-Tetrahydroxyxanthone; 3,5-Di-Me ether, 8-O-?-D-glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065559 1,3,5,8-Tetrahydroxyxanthone; 5,8-Di-Me ether, 1-O-?-D-glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065560 2',3,3',4,4'-Pentahydroxychalcone, 3'-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065561 2',3,3',4,4'-Pentahydroxychalcone, 4'-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065562 2',3,4,4',5'-Pentahydroxychalcone; 4'-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065563 2',3,4,4',6'-Pentahydroxychalcone; 2'-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065564 2',3,5,5',7-Pentahydroxyflavanone, 3-O-?-L-Rhamnopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065565 2',4',5,7-Tetrahydroxyflavanone, 4'-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065566 2',4',5,7-Tetrahydroxyflavanone, 7-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065567 2',4',5,7-Tetrahydroxyisoflavanone; 4'-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065568 2',5,5',7-Tetrahydroxyflavanone, 7-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065569 2,4',5,7-Tetrahydroxyflavanone; 7-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065570 3',4',5,7-Tetrahydroxyflavanone, 3'-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065571 3',4',5,7-Tetrahydroxyflavanone, 5-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065572 3',4',5,7-Tetrahydroxyflavanone, 7-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065573 3',4',7,8-Tetrahydroxyflavanone, 7-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065574 3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-L-Rhamnopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065575 3,3',4',5,7-Pentahydroxyflavanone, 7-Me ether, 3-O-?-D-arabinopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065576 3,3',4',5,7-Pentahydroxyflavanone, 7-O-?-L-Rhamnopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065577 3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-L-Rhamnopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065578 3,3',4',7-Tetrahydroxyflavanone, 3-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065579 3,3',5,5',7-Pentahydroxyflavanone, 3-O-?-L-Rhamnopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065580 3,4',5,7-Tetrahydroxyflavanone, 3-O-?-D-Galactopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065581 3,4',5,7-Tetrahydroxyflavanone, 3-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065582 3,4',5,7-Tetrahydroxyflavanone, 4'-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065583 3,4',5,7-Tetrahydroxyflavanone, 7-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065584 3-Hydroxy-2-methyl-4H-pyran-4-one; O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C21H22O11 450.116211 NA MeJP NA NA +MJ065585 4',5,6,7-Tetrahydroxyflavanone, 5-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065586 4',5,7,8-Tetrahydroxyflavanone, 8-O-?-D-Glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065587 6-Glucopyranosyl-3,4',5,7-tetrahydroxyflavanone C21H22O11 450.116211 NA MeJP NA NA +MJ065588 6-Glucosyl-3',4',5,7-tetrahydroxyflavanone C21H22O11 450.116211 NA MeJP NA NA +MJ065589 8-Glucosyl-3',4',5,7-tetrahydroxyflavanone C21H22O11 450.116211 NA MeJP NA NA +MJ065590 Alphitonin; 3'-Deoxy, 4-O-?-D-glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065591 Alphitonin; 3'-Deoxy, 6-O-?-D-glucopyranoside C21H22O11 450.116211 NA MeJP NA NA +MJ065592 Glucose; ?-D-Pyranose-form, 2-O-(4-Hydroxybenzoyl), 1-O-(4-hydroxy-3-methoxybenzoyl) C21H22O11 450.116211 NA MeJP NA NA +MJ065593 Macrocarposide C21H22O11 450.116211 NA MeJP NA NA +PJ001677 SDDD C15H22N4O12 450.1234 NA PeJP NA NA +PJ001678 PCCE C16H26N4O7S2 450.1243 NA PeJP NA NA +FL3FA9ND0002 Tephrodin;(8aR,11aR)-rel-(-)-11a-(Acetyloxy)-8a,11a-dihydro-5-methoxy-10,10-dimethyl-2-phenyl-4H,8H-furo[3,2-d]benzo[1,2-b:3,4-b']dipyran-4,11(10H)-dione C25H22O8 450.13146 35820-35-0 knapsack NA NA +MJ065594 Tephrodin C25H22O8 450.131467 NA MeJP NA NA +MJ065595 Vaginidiol; 3'-O-(4-Hydroxycinnamoyl), 1''-O-Ac C25H22O8 450.131467 NA MeJP NA NA +MJ065596 Nyctanthoside; 10-Carboxylic acid, Me ester C18H26O13 450.13734 NA MeJP NA NA +MJ065597 Nikkomycin Wx C19H22N4O9 450.138678 NA MeJP NA NA +MJ065598 Nikkomycin Wz C19H22N4O9 450.138678 NA MeJP NA NA +PJ001679 GDEM C16H26N4O9S 450.1421 NA PeJP NA NA +MJ065599 7-Protoilludene-1,5,6,14-tetrol, 14-Aldehyde, 5-(3-chloro-4,6-dihydroxy-2-methylbenzoyl) C23H27ClO7 450.14453 NA MeJP NA NA +MJ065600 Stenosporic acid; 3-Chloro C23H27ClO7 450.14453 NA MeJP NA NA +FL1DABGS0001 4-Methoxyphlorizin;2',4',6'-Trihydroxy-4-methoxydihydrochalcone 2'-O-glucoside C22H26O10 450.15259 4369-35-1 knapsack NA NA +FL1DCAGS0001 Asebotin C22H26O10 450.15259 11075-15-3 knapsack NA NA +FL6F1GGS0001 Auriculoside C22H26O10 450.15259 75871-96-4 knapsack NA NA +MJ065601 1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 2?,3?-Epoxide, 8-(3-methyl-2-butenoyl), 13-Ac C22H26O10 450.152597 NA MeJP NA NA +MJ065602 3',4',5',7-Tetrahydroxyflavan; 4'-Me ether, 5'-O-?-D-glucopyranoside C22H26O10 450.152597 NA MeJP NA NA +MJ065603 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4'-Me ether, 2'-O-?-D-glucopyranoside C22H26O10 450.152597 NA MeJP NA NA +MJ065604 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4-Me ether, 2'-O-?-D-glucopyranoside C22H26O10 450.152597 NA MeJP NA NA +MJ065605 4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-(2R,3R-Epoxy-2-methylpropanoyl), 9-Ac, Me ester C22H26O10 450.152597 NA MeJP NA NA +MJ065606 4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 9-(2,3-Epoxy-2-methylpropanoyl), 8-Ac, Me ester C22H26O10 450.152597 NA MeJP NA NA +MJ065607 4-Hydroxy-4-(2-hydroxyethyl)-2,5-cyclohexadien-1-one; 2'-O-[6-O-(4-Hydroxyphenylacetyl)-?-D-glucopyranoside] C22H26O10 450.152597 NA MeJP NA NA +MJ065608 Aloesaponol IV; 4-Epimer, 4-O-?-D-glucopyranoside C22H26O10 450.152597 NA MeJP NA NA +MJ065609 Aloesaponol IV; 8-O-?-D-Glucopyranoside C22H26O10 450.152597 NA MeJP NA NA +MJ065610 Aucubigenin; 1-O-(2-O-Benzoyl-?-D-glucopyranoside) C22H26O10 450.152597 NA MeJP NA NA +MJ065611 Melampyroside C22H26O10 450.152597 NA MeJP NA NA +MJ065612 Ptaerochromenol; 5-Me ether, 1'-O-?-D-glucopyranoside C22H26O10 450.152597 NA MeJP NA NA +MJ065613 Salicin; O-(3,4-Dimethoxybenzoyl) C22H26O10 450.152597 NA MeJP NA NA +MJ065614 Trifochalcanoloside I C22H26O10 450.152597 NA MeJP NA NA +C09478 Auriculoside C22H26O10 450.1526 NA KEGG NA NA +PJ001680 SCNQ C15H26N6O8S 450.1533 NA PeJP NA NA +MJ065615 Galactose, Dibenzyl dithioacetal, 4,5-O-isopropylidene C23H30O5S2 450.153465 NA MeJP NA NA +PJ001681 DMW C20H26N4O6S 450.1573 NA PeJP NA NA +PJ001682 SSEE C16H26N4O11 450.1598 NA PeJP NA NA +PJ001683 PTCM C17H30N4O6S2 450.1607 NA PeJP NA NA +MJ065616 Dehexylantimycin; Dehexylantimycin A2 C21H26N2O9 450.16383 NA MeJP NA NA +FL3FALNR0001 Dihydrocycloartomunin C26H26O7 450.16785 135023-16-4 knapsack NA NA +FL3FALNR0005 Cycloaltilisin;(+)-2,8,10-Trihydroxy-3-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one C26H26O7 450.16785 152130-62-6 knapsack NA NA +FL3FALNR0008 Dihydroisocycloartomunin;3,8,10-Trihydroxy-2-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one C26H26O7 450.16785 145643-97-6 knapsack NA NA +FL3FRNNF0005 Artonin T;5a,6-Dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-2-(3-methyl-2-butenyl)-5H,7H-benzofuro[3,4-bc]xanthen-7-one C26H26O7 450.16785 161017-03-4 knapsack NA NA +FL5FDCNP0002 Broussoflavonol A;8-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one C26H26O7 450.16785 99217-69-3 knapsack NA NA +FLIAALNI0020 Euchrenone b5;5,7,2'-Trihydroxy-4',5'-methylenedioxy-6,8-diprenylisoflavone C26H26O7 450.16785 121795-47-9 knapsack NA NA +FLIAALNP0001 Cajaisoflavone C26H26O7 450.16785 72578-99-5 knapsack NA NA +FLIG1LNI0006 8-Dimethylallyllisetin;8-Prenyllisetin C26H26O7 450.16785 126513-21-1 knapsack NA NA +MJ065617 2',4',5,5',7-Pentahydroxy-6,8-diprenylisoflavone; 4',5'-Methylene ether C26H26O7 450.167853 NA MeJP NA NA +MJ065618 8-Prenyllisetin C26H26O7 450.167853 NA MeJP NA NA +MJ065619 Artonin J; 7-Me ether C26H26O7 450.167853 NA MeJP NA NA +MJ065620 Bletilol B; 5'-Methoxy, O-de-Ac C26H26O7 450.167853 NA MeJP NA NA +MJ065621 Bletilol C; 5'-Methoxy, O-de-Ac C26H26O7 450.167853 NA MeJP NA NA +MJ065622 Broussoflavonol A C26H26O7 450.167853 NA MeJP NA NA +MJ065623 Cajaisoflavone C26H26O7 450.167853 NA MeJP NA NA +MJ065624 Cyclomulberrin; 5'-Hydroxy, 4'-Me ether C26H26O7 450.167853 NA MeJP NA NA +MJ065625 Cyclomulberrin; 5'-Methoxy C26H26O7 450.167853 NA MeJP NA NA +MJ065626 Dihydrocycloartomunin C26H26O7 450.167853 NA MeJP NA NA +MJ065627 Shanciol; 5'-Methoxy C26H26O7 450.167853 NA MeJP NA NA +C15080 4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone C26H26O7 450.1679 NA KEGG NA NA +MJ065628 Picrasidine A C27H22N4O3 450.16919 NA MeJP NA NA +PJ001684 GSSSN C15H26N6O10 450.1711 NA PeJP NA NA +EUR520 Dehydroepiandrosterone sulphate F2 F2 450.173825 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR520 Dehydroepiandrosterone sulphate F2 NA 450.173825 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR520 Dehydroepiandrosterone sulphate F2 F2 450.173825 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR520 Dehydroepiandrosterone sulphate F2 NA 450.173825 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR520 Dehydroepiandrosterone sulphate F2 F2 450.173825 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR520 Dehydroepiandrosterone sulphate F2 NA 450.173825 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR520 Dehydroepiandrosterone sulphate F2 F2 450.173825 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR520 Dehydroepiandrosterone sulphate F2 F2 450.173825 standards wishlist analysés sur QTOF HMDB NA NA +EUR520 Dehydroepiandrosterone sulphate F2 F2 450.173825 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR520 Dehydroepiandrosterone sulphate F2 NA 450.173825 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR520 Dehydroepiandrosterone sulphate F2 F2 450.173825 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR520 Dehydroepiandrosterone sulphate F2 F2 450.173825 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ001685 GPDY C20H26N4O8 450.1751 NA PeJP NA NA +MJ065629 3-(Acetyloxy)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-1-[2-(methylamino)ethyl]-6-(trifluoromethyl)-2H-1-benzazepin-2-one C23H25F3N2O4 450.176641 NA MeJP NA NA +PJ001686 ATEM C17H30N4O8S 450.1785 NA PeJP NA NA +MJ065630 Cliviahaksine; O-(2,6-Dimethyl-3-pyridinecarbonyl) C25H26N2O6 450.179086 NA MeJP NA NA +MJ065631 6-Protoilludene-5,8,14-triol, 5-O-(3-Chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) C24H31ClO6 450.180916 NA MeJP NA NA +C13679 Bis(3-azidopyridinium)-1,10-decane perchlorate C20H28N8 450.1814 NA KEGG NA NA +MJ065632 3',4',5,7-Tetrahydroxyflavone; 7-O-[3,4-Dihydroxycinnamoyl-(??)-?-D-glucopyranoside] C30H26O4 450.183109 NA MeJP NA NA +MJ065633 Tectol C30H26O4 450.183109 NA MeJP NA NA +PJ001687 GNNF C19H26N6O7 450.1863 NA PeJP NA NA +MJ065634 Timobesone; 17-Ac C24H31FO5S 450.187622 NA MeJP NA NA +MJ065635 1,4,6,9-Tetrahydroxy-11(13)-eudesmen-12,8-olide, 6-(Methylpropenoyl), 1,9-di-Ac C23H30O9 450.188982 NA MeJP NA NA +MJ065636 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Et ether, 8-(methylpropenoyl), 13-Ac C23H30O9 450.188982 NA MeJP NA NA +MJ065637 2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Methylpropanoyl), 2,9-di-Ac C23H30O9 450.188982 NA MeJP NA NA +MJ065638 4,5-Epoxy-1,8,13-trihydroxy-7(11)-germacren-12,6-olide, 8-(2-Methylpropenoyl), di-Ac C23H30O9 450.188982 NA MeJP NA NA +MJ065639 8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Methylbutanoyl), 9-Ac, Me ester C23H30O9 450.188982 NA MeJP NA NA +MJ065640 8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 9-(2-Methylbutanoyl), 8-Ac, Me ester C23H30O9 450.188982 NA MeJP NA NA +MJ065641 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, O-(3S-Acetoxy-2R-hydroxy-2-methylbutanoyl), Me ester C23H30O9 450.188982 NA MeJP NA NA +MJ065642 Cluytene B C23H30O9 450.188982 NA MeJP NA NA +MJ065643 Coleon Y; 3-De-Ac, 3-formyl C23H30O9 450.188982 NA MeJP NA NA +MJ065644 Bentipimine C27H31ClN2S 450.189647 NA MeJP NA NA +PJ001688 SCNK C16H30N6O7S 450.1897 NA PeJP NA NA +MJ065645 Tiomesterone C24H34O4S2 450.18985 NA MeJP NA NA +MJ065646 Flutroline C27H25F3N2O 450.191898 NA MeJP NA NA +C00353 Geranylgeranyl diphosphate C20H36O7P2 450.1936 NA KEGG NA NA +C06089 ent-Copalyl diphosphate C20H36O7P2 450.1936 NA KEGG NA NA +C11356 trans,trans,cis-Geranylgeranyl diphosphate C20H36O7P2 450.1936 NA KEGG NA NA +C11901 Copalyl diphosphate C20H36O7P2 450.1936 NA KEGG NA NA +C11902 9alpha-Copalyl diphosphate C20H36O7P2 450.1936 NA KEGG NA NA +MJ065647 Copalyl diphosphate C20H36O7P2 450.193626 NA MeJP NA NA +MJ065648 Geranylgeranyl diphosphate C20H36O7P2 450.193626 NA MeJP NA NA +MetaCyc03603 geranylgeranyl diphosphate [all-trans-geranyl-geranyl-pp;geranylgeranyl-PP;GGPP;] C20H36O7P2 450.193627 NA metacyc NA NA +MetaCyc03604 (+)-copalyl-diphosphate [] C20H36O7P2 450.193627 NA metacyc NA NA +MetaCyc03605 ent-copalyl diphosphate [ent-CPP;CPP;CDP;] C20H36O7P2 450.193627 NA metacyc NA NA +MetaCyc03606 syn-copalyl diphosphate [syn-CDP;] C20H36O7P2 450.193627 NA metacyc NA NA +HMDB01285 Geranyl-PP C20H36O7P2 450.19363 http://www.hmdb.ca/metabolites/HMDB01285 HMDB NA NA +HMDB04486 trans,trans,cis-Geranylgeranyl diphosphate C20H36O7P2 450.19363 http://www.hmdb.ca/metabolites/HMDB04486 HMDB NA NA +HMDB01285 Geranyl-PP C20H36O7P2 450.19363 HMDB01285 PFEM_hmdb_metabocards_official NA NA +HMDB04486 trans,trans,cis-Geranylgeranyl diphosphate C20H36O7P2 450.19363 HMDB04486 PFEM_hmdb_metabocards_official NA NA +HMDB04486 Geranylgeranyl-PP C20H36O7P2 450.193634 NA HMDB2010 NA NA +C14127 Acotiamide C21H30N4O5S 450.1937 NA KEGG NA NA +PJ001689 GPMF C21H30N4O5S 450.1937 NA PeJP NA NA +PJ001690 TTTE C17H30N4O10 450.1962 NA PeJP NA NA +PJ001691 GLMM C18H34N4O5S2 450.1971 NA PeJP NA NA +PJ001692 GTHH C18H26N8O6 450.1976 NA PeJP NA NA +MJ065649 Rhizocticin; Rhizocticin B C16H31N6O7P 450.199183 NA MeJP NA NA +C17940 Rhizocticin B C16H31N6O7P 450.1992 NA KEGG NA NA +MJ065650 Urauchimycin A C22H30N2O8 450.200215 NA MeJP NA NA +MJ065651 Urauchimycin B C22H30N2O8 450.200215 NA MeJP NA NA +MJ065652 Desalicetin; 2'-Ac C19H34N2O8S 450.203586 NA MeJP NA NA +FLIADCNI0001 Glabrescione B;5,7-Dimethoxy-3',4'-diprenyloxyisoflavone C27H30O6 450.20423 65893-94-9 knapsack NA NA +MJ065653 11,19-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 19-(3,4-Dihydroxybenzoyl) C27H30O6 450.204238 NA MeJP NA NA +MJ065654 2,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 2?-form, 2-(3,4-Dihydroxybenzoyl) C27H30O6 450.204238 NA MeJP NA NA +MJ065655 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 3',4'-Di-Me ether C27H30O6 450.204238 NA MeJP NA NA +MJ065656 3',4',5,7-Tetrahydroxyisoflavone; 3',4'-Bis(3-methyl-2-butenyl), 5,7-di-Me ether C27H30O6 450.204238 NA MeJP NA NA +MJ065657 Sofalcone C27H30O6 450.204238 NA MeJP NA NA +MJ065658 Tolpadol C28H26N4O2 450.205576 NA MeJP NA NA +PJ001693 APTY C21H30N4O7 450.2115 NA PeJP NA NA +C02828 D-Phe-Pro-Arg-CH2Cl C21H31ClN6O3 450.2146 NA KEGG NA NA +C02830 Dipeptide (Xaa-Pro) C7H11N2O3R 450.2146 NA KEGG NA NA +C02834 Heparin-glucosamine C7H11N2O3R 450.2146 NA KEGG NA NA +PJ001694 STLM C18H34N4O7S 450.2148 NA PeJP NA NA +MJ065659 Antibiotic SF 2415A2 C26H30N2O5 450.215472 NA MeJP NA NA +2609 synthetic peptide inhibitors of (PEP) IYPVPEPS 450.2225 MH2+ Inhouse_peptide NA peptide +PJ001695 EFR C20H30N6O6 450.2227 NA PeJP NA NA +MJ065660 1,2,5,12-Tetrahydroxy-13(15)-cassen-16,12-olide, 1,2-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065661 1,4,6,9-Tetrahydroxy-11(13)-eudesmen-12,8-olide, 9-Angeloyl, 6-(methylpropanoyl) C24H34O8 450.225368 NA MeJP NA NA +MJ065662 1,4,6,9-Tetrahydroxy-11(13)-eudesmen-12,8-olide, 9-Tigloyl, 6-(methylpropanoyl) C24H34O8 450.225368 NA MeJP NA NA +MJ065663 1,5,6,7,14-Vouacapanepentol, 6,7-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065664 1,7,11,13,14-Pentahydroxy-16-kauren-15-one, 1,11-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065665 11(15?1)-Abeo-2,5,9,10,15-pentahydroxy-4(20),11-taxadien-13-one, 2,9-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065666 15,16-Epoxy-3,6,9,19-tetrahydroxy-13(16),14-labdadien-7-one, 3,19-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065667 15,16-Epoxy-3,6,9,19-tetrahydroxy-13(16),14-labdadien-7-one, 6-Ketone, 7?-alcohol, 3,19-di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065668 15,17-Epoxy-6,7,17-trihydroxy-16-spongianone, 6,7-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065669 16-Kaurene-1,3,6,7,11,15-hexol, 15-Ketone, 3,6-di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065670 16-Kaurene-1,3,6,7,11,15-hexol, 6-Ketone, 1,7-di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065671 16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 2,7-di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065672 16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 3,7-di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065673 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 2,13-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065674 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 2,7-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065675 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 7,13-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065676 2,5,10,13,20-Pentahydroxy-3,8-seco-3,7,11-taxatrien-9-one, 10,13-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065677 2,5,10,13,20-Pentahydroxy-3,8-seco-3,7,11-taxatrien-9-one, 2,10-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065678 2,8,9,14-Tetrahydroxy-5,11-briaradien-18,7-olide, 2,14-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065679 3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,3',4,4',5,5'-Hexa-Me ether C24H34O8 450.225368 NA MeJP NA NA +MJ065680 3,7,12,14,18-Pentahydroxy-16-kauren-15-one, 3,18-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065681 4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 13-Ketone, 2,10-di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065682 4,18:11,16:15,16-Triepoxy-14-clerodene-3,6,19-triol, 6,19-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065683 4,18:15,16-Diepoxy-13(16),14-clerodadiene-3,6,12,19-tetrol, 3,19-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065684 4,18:15,16-Diepoxy-13(16),14-clerodadiene-3,6,12,19-tetrol, 12,19-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065685 4,18:15,16-Diepoxy-13(16),14-clerodadiene-6,12,19,20-tetrol, 6,19-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065686 4,7-Epoxy-2,3,14-trihydroxy-1(15),11-cembradien-16,14-olide, 2,3-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065687 5,7,9,13,14-Pentahydroxy-4(20),11-taxadien-10-one, 7,9-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065688 6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 9-(3-Methyl-2-butenoyl), 6-(2-methylpropanoyl) C24H34O8 450.225368 NA MeJP NA NA +MJ065689 6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 9-Angeloyl, 6-(2-methylpropanoyl) C24H34O8 450.225368 NA MeJP NA NA +MJ065690 6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 9-Tigloyl, 6-(2-methylpropanoyl) C24H34O8 450.225368 NA MeJP NA NA +MJ065691 7,20-Epoxy-16-kaurene-1,3,6,7,15-pentol, 6,15-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065692 7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 1,11-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065693 7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 6,11-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065694 7,20-Epoxy-16-kaurene-1,6,7,14,15-pentol, 1,6-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065695 7,20-Epoxy-16-kaurene-6,7,14,15-tetrol, 16?,17-Epoxide, 6,14-di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065696 7,8,16,18-Tetrahydroxy-19-serrulatanoic acid; 16,18-Di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065697 8,10,11-Trihydroxy-3-guaien-12,6-olide, 8-(2-Methylbutanoyl), 10,11-di-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065698 Chromodorolide A C24H34O8 450.225368 NA MeJP NA NA +MJ065699 Luminacin; Luminacin B1 C24H34O8 450.225368 NA MeJP NA NA +MJ065700 Luminacin; Luminacin C1, Demethoxy C24H34O8 450.225368 NA MeJP NA NA +MJ065701 Nigakilactone N; 12-Me ether, 11-Ac C24H34O8 450.225368 NA MeJP NA NA +MJ065702 Preleosibirin C24H34O8 450.225368 NA MeJP NA NA +MJ065703 Secoexsertifolin A C24H34O8 450.225368 NA MeJP NA NA +MJ065704 Shahamin F; 12?-Acetoxy, 1?-hydroxy C24H34O8 450.225368 NA MeJP NA NA +C17030 Nigakilactone E C24H34O8 450.2254 NA KEGG NA NA +PJ001696 VFW C25H30N4O4 450.2267 NA PeJP NA NA +MJ065705 21,24-Epoxy-12-hydroxy-1-oxowitha-2,5,25(27)-trienolide, 12-Ketone C28H34O5 450.240624 NA MeJP NA NA +MJ065706 25(9?8)-Abeo-2,3,22-trihydroxy-24,29-dinor-21-oxo-1,3,5(10),6,9(11)-freidelapentaen-23-al; 22?-form C28H34O5 450.240624 NA MeJP NA NA +MJ065707 30(20?21)-Abeo-3,21-dihydroxy-24,29-dinor-1(10),3,5,7-friedelatetraene-2,20,22-trione; 21?-form C28H34O5 450.240624 NA MeJP NA NA +MJ065708 8,11-Epoxy-7,11-dihydroxy-3,9,12-eunicellatrien-2-one, 7-(Phenylacetyl) C28H34O5 450.240624 NA MeJP NA NA +MJ065709 Encecanescin C28H34O5 450.240624 NA MeJP NA NA +MJ065710 Nimbocinol; 17-Epimer, 7-Ac C28H34O5 450.240624 NA MeJP NA NA +MJ065711 Nimbocinol; Ac C28H34O5 450.240624 NA MeJP NA NA +MJ065712 Salpichrolide A C28H34O5 450.240624 NA MeJP NA NA +MJ065713 Salpichrolide H; 24-Deoxy, 23,24-didehydro C28H34O5 450.240624 NA MeJP NA NA +MJ065714 Tingenin A; 22-Oxo, 20?-hydroxy C28H34O5 450.240624 NA MeJP NA NA +MJ065715 Tingenin A; 22-Oxo, 20?-hydroxy C28H34O5 450.240624 NA MeJP NA NA +MJ065716 Wightianone C28H34O5 450.240624 NA MeJP NA NA +MJ065717 Suvanine C25H38O5S 450.243995 NA MeJP NA NA +MJ065718 1,4,6,11,14-Eudesmanepentol, 6-O-?-D-Glucopyranoside C21H38O10 450.246497 NA MeJP NA NA +MJ065719 Ornonin C21H38O10 450.246497 NA MeJP NA NA +MJ065720 Ornose C21H38O10 450.246497 NA MeJP NA NA +MJ065721 Royleose C21H38O10 450.246497 NA MeJP NA NA +PJ001697 GVLY C22H34N4O6 450.2479 NA PeJP NA NA +7649 ACE inhibitor from red algae LRY 450.248 antioxidative Inhouse_peptide NA peptide +7821 ACE inhibitor from rapeseed RIY 450.248 antithrombotic Inhouse_peptide NA peptide +MJ065722 Vanoxerine C28H32F2N2O 450.24827 NA MeJP NA NA +MJ065723 9-Demethylpsychotrine C27H34N2O4 450.251857 NA MeJP NA NA +MJ065724 Hippospongin C C27H34N2O4 450.251857 NA MeJP NA NA +PJ001698 LRY C21H34N6O5 450.2591 NA PeJP NA NA +MJ065725 1,10:4,5-Diepoxy-6,11-germacranediol, 6-(2-Methyl-2-butenoyl), 14-(2-methyl-2-butenoyloxy) C25H38O7 450.261753 NA MeJP NA NA +MJ065726 12,15,16-Trihydroxy-18-nor-13-cleroden-4-one, Tri-Ac C25H38O7 450.261753 NA MeJP NA NA +MJ065727 15,17-Epoxy-15,17-dihydroxy-16-isocopalanoic acid, Di-Ac, Me ester C25H38O7 450.261753 NA MeJP NA NA +MJ065728 15-Hydroxy-16-kauren-19-oic acid, 15-O-?-L-Arabinopyranoside C25H38O7 450.261753 NA MeJP NA NA +MJ065729 4,18-Epoxy-6,12,19-trihydroxy-13-cleroden-15,16-olide, 12-(2S-Methylbutanoyl) C25H38O7 450.261753 NA MeJP NA NA +MJ065730 4,6,18,19-Tetrahydroxy-13-cleroden-15,16-olide, 19-Tigloyl C25H38O7 450.261753 NA MeJP NA NA +MJ065731 4,6,8,10-Tetrahydroxy-9-daucanone, 6,10-Diangeloyl C25H38O7 450.261753 NA MeJP NA NA +MJ065732 5,8,9-Daucanetriol, 9-(2,4,5-Trimethoxybenzoyl) C25H38O7 450.261753 NA MeJP NA NA +MJ065733 6,7-Dihydroxy-15,17-isocopalanolid-16-oic acid, 6-Butanoyl, Me ester C25H38O7 450.261753 NA MeJP NA NA +MJ065734 8-Daucene-2,4,6,10-tetrol, 8,9-Epoxide, 2,6-diangeloyl C25H38O7 450.261753 NA MeJP NA NA +MJ065735 9,12,16,17-Tetrahydroxy-18-kauranoic acid, 17-Angeloyl C25H38O7 450.261753 NA MeJP NA NA +MJ065736 9,12,16,17-Tetrahydroxy-18-kauranoic acid, 17-Tigloyl C25H38O7 450.261753 NA MeJP NA NA +MJ065737 Polyrhaphin B C25H38O7 450.261753 NA MeJP NA NA +MJ065738 Pregn-5-ene-3,11,12,14,20-pentol, 11,12-Di-Ac C25H38O7 450.261753 NA MeJP NA NA +MJ065739 Trichoharzin C25H38O7 450.261753 NA MeJP NA NA +MJ065740 Trunculin D; Me ester C25H38O7 450.261753 NA MeJP NA NA +C09697 Laserpitin C25H38O7 450.2618 NA KEGG NA NA +MJ065741 Antibiotic SU; Antibiotic SU2 C19H38N4O8 450.268964 NA MeJP NA NA +MJ065742 Antibiotic UAA3 C19H38N4O8 450.268964 NA MeJP NA NA +MJ065743 Gentamicin B; 3',4'-Dideoxy C19H38N4O8 450.268964 NA MeJP NA NA +HMDB02385 Celastrol C29H38O4 450.277008 NA HMDB2010 NA NA +MJ065744 15-Beyerene-3,17,19-triol, 17-Cinnamoyl C29H38O4 450.277009 NA MeJP NA NA +MJ065745 15-Hydroxy-1(10),13-halimadien-18-oic acid, (E)-Cinnamoyl C29H38O4 450.277009 NA MeJP NA NA +MJ065746 15-Hydroxy-1(10),13-halimadien-18-oic acid, (Z)-Cinnamoyl C29H38O4 450.277009 NA MeJP NA NA +MJ065747 18-Hydroxy-7,13-labdadien-15-oic acid, O-Cinnamoyl C29H38O4 450.277009 NA MeJP NA NA +MJ065748 2,3-Dihydroxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione; 3-Me ether C29H38O4 450.277009 NA MeJP NA NA +MJ065749 Celastrol C29H38O4 450.277009 NA MeJP NA NA +MJ065750 Triptolactone C29H38O4 450.277009 NA MeJP NA NA +HMDB02385 Celastrol C29H38O4 450.27701 http://www.hmdb.ca/metabolites/HMDB02385 HMDB NA NA +HMDB02385 Celastrol C29H38O4 450.27701 HMDB02385 PFEM_hmdb_metabocards_official NA NA +C09250 Usambarine C30H34N4 450.2783 NA KEGG NA NA +MJ065751 Usambarine C30H34N4 450.278347 NA MeJP NA NA +MJ065752 Seldomycin 5 C18H38N6O7 450.280197 NA MeJP NA NA +MJ065753 Eurystatin; Eurystatin D C23H38N4O5 450.28422 NA MeJP NA NA +MJ065754 Eurystatin; Eurystatin E C23H38N4O5 450.28422 NA MeJP NA NA +MJ065755 17-Aminoestra-1,3,5(10)-trien-3-ol; 17?-form, N-(6-Maleimidohexyl) C28H38N2O3 450.288243 NA MeJP NA NA +MJ065756 Chaksine C22H38N6O4 450.295453 NA MeJP NA NA +C09940 Chaksine C22H38N6O4 450.2955 NA KEGG NA NA +MJ065757 10-Aromadendranol, O-(2-O-Tigloyl-?-D-fucopyranoside) C26H42O6 450.298139 NA MeJP NA NA +MJ065758 11-Eudesmen-4-ol, 4-O-[3-Methyl-2-butenoyl-(?3)-?-D-fucopyranoside] C26H42O6 450.298139 NA MeJP NA NA +MJ065759 11-Eudesmen-4-ol, 4-O-[3-O-Tigloyl-?-D-fucopyranoside] C26H42O6 450.298139 NA MeJP NA NA +MJ065760 4-Cubebanol, O-(4-O-Angeloyl-6-deoxy-?-D-glucopyranoside) C26H42O6 450.298139 NA MeJP NA NA +MJ065761 6-Pentadecyl-1,2,4-benzenetriol; 2'-Acetoxy, 2-Me ether, O4-Ac C26H42O6 450.298139 NA MeJP NA NA +MJ065762 Homoancepsenolide; 3,4-Dihydro, 4-acetoxy C26H42O6 450.298139 NA MeJP NA NA +MJ065763 Lemnabourside C26H42O6 450.298139 NA MeJP NA NA +MJ065764 Pregn-20-ene-3,4-diol, 4-O-?-D-Arabinopyranoside C26H42O6 450.298139 NA MeJP NA NA +MJ065765 Pregn-20-ene-3,4-diol, 4-O-?-D-Xylopyranoside C26H42O6 450.298139 NA MeJP NA NA +MJ065766 Pregn-5-ene-3,11,12,14,20-pentol, Mono-O-(3-methylbutanoyl) C26H42O6 450.298139 NA MeJP NA NA +MJ065767 Pregn-5-ene-3,20-diol, 3-?-L-Arabinopyranoside C26H42O6 450.298139 NA MeJP NA NA +MJ065768 Pregnane-3,12,14,17,20-pentol, 12-Tigloyl C26H42O6 450.298139 NA MeJP NA NA +MJ065769 14,14'-Oxybis[3(15),6-caryophylladien-8-one] C30H42O3 450.313395 NA MeJP NA NA +MJ065770 21-Hydroxycycloarta-1,11,24-trien-3-one; 21-Carboxylic acid C30H42O3 450.313395 NA MeJP NA NA +MJ065771 3,20-Dihydroxy-11,13(18),19(29)-ursatrien-28-oic acid, 28?20 Lactone C30H42O3 450.313395 NA MeJP NA NA +MJ065772 3-Oxolanosta-1,5,8,24-tetraen-26-oic acid; 24Z-form C30H42O3 450.313395 NA MeJP NA NA +MJ065773 3-Oxolanosta-7,22,24-trien-26,22-olide C30H42O3 450.313395 NA MeJP NA NA +MJ065774 Cryptoquinonemethide D C30H42O3 450.313395 NA MeJP NA NA +MJ065775 Dysonone B; 29-Deoxy, 1,2-didehydro, 7-ketone C30H42O3 450.313395 NA MeJP NA NA +MJ065776 Heleniumlactone 1 C30H42O3 450.313395 NA MeJP NA NA +MJ065777 Heleniumlactone 3 C30H42O3 450.313395 NA MeJP NA NA +MJ065778 Perovskone C30H42O3 450.313395 NA MeJP NA NA +MJ065779 Pomacerone C30H42O3 450.313395 NA MeJP NA NA +MJ065780 Puliscabrin C30H42O3 450.313395 NA MeJP NA NA +CJneg0606 Chenodeoxyglycocholic acid [(M-H)]- (13C) C2513CH42NO5 450.318025 C18rt(min)=8.86 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0606 Chenodeoxyglycocholic acid [(M-H)]- (13C) C2513CH42NO5 450.318025 C18rt(min)=8.86 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +C04722 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate C27H46O5 450.3345 NA KEGG NA NA +MJ065781 2,3,14,22-Tetrahydroxycholestan-6-one C27H46O5 450.334524 NA MeJP NA NA +MJ065782 2,3,22,23-Tetrahydroxycholestan-6-one C27H46O5 450.334524 NA MeJP NA NA +MJ065783 3,14,20,22-Tetrahydroxycholestan-6-one C27H46O5 450.334524 NA MeJP NA NA +MJ065784 3,7,12-Trihydroxycholestan-26-oic acid C27H46O5 450.334524 NA MeJP NA NA +MJ065785 Cholest-22-ene-3,6,8,15,24-pentol C27H46O5 450.334524 NA MeJP NA NA +MJ065786 Cholestane-3,6,15,16,26-pentol, 6-Ketone C27H46O5 450.334524 NA MeJP NA NA +MJ065787 Cholestane-3,6,15,16,26-pentol, 22,23-Didehydro (E-) C27H46O5 450.334524 NA MeJP NA NA +MJ065788 Cholestane-3,6,16,23,24-pentol, 6-Ketone C27H46O5 450.334524 NA MeJP NA NA +MJ065789 Stellattasterenol C27H46O5 450.334524 NA MeJP NA NA +MJ065790 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate C27H46O5 450.334524 NA MeJP NA NA +MetaCyc03607 3α,7α,12α-trihydroxy-5β-cholestanate [3α,7α,12α-trihydroxy-5β-cholestan-26-ate;3α,7α,12α-trihydroxy-5β-cholestanoate;3α,7α,12α-trihydroxy5-β-cholestan-26-oate;(25R)-3α,7α,12α-trihydroxy5-β-cholestan-26-oate;] C27H46O5 450.334525 NA metacyc NA NA +HMDB00601 Coprocholic acid C27H46O5 450.33453 http://www.hmdb.ca/metabolites/HMDB00601 HMDB NA NA +HMDB03873 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate C27H46O5 450.33453 http://www.hmdb.ca/metabolites/HMDB03873 HMDB NA NA +HMDB00601 Coprocholic acid C27H46O5 450.33453 HMDB00601 PFEM_hmdb_metabocards_official NA NA +HMDB03873 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate C27H46O5 450.33453 HMDB03873 PFEM_hmdb_metabocards_official NA NA +HMDB00601 Coprocholic acid C27H46O5 450.334534 NA HMDB2010 NA NA +HMDB03873 3a,7a,12a-Trihydroxy-5b-cholestanoic acid C27H46O5 450.334534 NA HMDB2010 NA NA +MJ065791 Azcarpine C26H46N2O4 450.345757 NA MeJP NA NA +EUR202 Vitamin K C31H46O2 450.34978 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR202 Vitamin K C31H46O2 450.34978 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR202 Vitamin K C31H46O2 450.34978 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR202 Vitamin K C31H46O2 450.34978 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR202 Vitamin K C31H46O2 450.34978 Wishlist HMDB NA NA +EUR202 Vitamin K C31H46O2 450.34978 Wishlist Inhouse_PFEM NA NA +MJ065792 2-Polyprenyl-1,4-benzenediol; 2-Pentaprenyl-1,4-benzenediol C31H46O2 450.34978 NA MeJP NA NA +MJ065793 Coscinoquinol C31H46O2 450.34978 NA MeJP NA NA +MJ065794 Vitamin K1 C31H46O2 450.34978 NA MeJP NA NA +EUR202 Vitamin K C31H46O2 450.34978 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR202 Vitamin K C31H46O2 450.34978 Wishlist PFEM_hmdb_metabocards_official NA NA +MetaCyc03608 phylloquinone [2-methyl-3-phytyl-1,4-naphthoquinone;phytonadione;phytomenadione;3-phytylmenadione;vitamin K1;] C31H46O2 450.349781 84-80-0 metacyc NA NA +HMDB03555 Vitamin K C31H46O2 450.34979 http://www.hmdb.ca/metabolites/HMDB03555 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03555 Vitamin K C31H46O2 450.34979 http://www.hmdb.ca/metabolites/HMDB03555 HMDB NA NA +HMDB03555 Vitamin K C31H46O2 450.34979 http://www.hmdb.ca/metabolites/HMDB03555 PFEM_hmdb_metabocards_blood NA blood +HMDB03555 Vitamin K C31H46O2 450.34979 HMDB03555 PFEM_hmdb_metabocards_official NA NA +HMDB03555 Vitamin K1 C31H46O2 450.349792 NA HMDB2010 NA NA +EUR202 Vitamin K C31H46O2 450.3498 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR202 Vitamin K C31H46O2 450.3498 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR202 Vitamin K C31H46O2 450.3498 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR202 Vitamin K C31H46O2 450.3498 Wishlist Inhousejuil11 NA NA +C02059 Phylloquinone C31H46O2 450.3498 NA KEGG NA NA +MJ065795 Chonemorphine; N-Benzoyl C30H46N2O 450.361014 NA MeJP NA NA +C15802 6-Deoxocastasterone C28H50O4 450.3709 NA KEGG NA NA +MJ065796 26,27-Dinor-3,8,14,21-onoceranetetrol C28H50O4 450.37091 NA MeJP NA NA +MJ065797 Ergostane-1,3,5,6-tetrol C28H50O4 450.37091 NA MeJP NA NA +MJ065798 Ergostane-2,3,22,23-tetrol C28H50O4 450.37091 NA MeJP NA NA +MJ065799 Ergostane-3,5,6,18-tetrol C28H50O4 450.37091 NA MeJP NA NA +MJ065800 Ergostane-3,5,6,25-tetrol C28H50O4 450.37091 NA MeJP NA NA +MJ065801 Ergostane-3,5,6,7-tetrol C28H50O4 450.37091 NA MeJP NA NA +MJ065802 Margosinolone C28H50O4 450.37091 NA MeJP NA NA +MetaCyc03609 6-deoxocastasterone [deoxocastasterone;] C28H50O4 450.37091 NA metacyc NA NA +MJ065803 Buxus Alkaloid E C27H50N2O3 450.382143 NA MeJP NA NA +MJ065804 Haliclamine B C31H50N2 450.397399 NA MeJP NA NA +MJ065805 Plakinamine B C31H50N2 450.397399 NA MeJP NA NA +C16895 Plakinamine B C31H50N2 450.3974 NA KEGG NA NA +MJ065806 10,12-Triacontanedione C30H58O2 450.443681 NA MeJP NA NA +MJ065807 11,13-Triacontanedione C30H58O2 450.443681 NA MeJP NA NA +MJ065808 11-Oxotriacontanal C30H58O2 450.443681 NA MeJP NA NA +MJ065809 12,14-Triacontanedione C30H58O2 450.443681 NA MeJP NA NA +MJ065810 12-Nonacosenoic acid; Me ester C30H58O2 450.443681 NA MeJP NA NA +MJ065811 13,15-Triacontanedione C30H58O2 450.443681 NA MeJP NA NA +MJ065812 13-Oxotriacontanal C30H58O2 450.443681 NA MeJP NA NA +MJ065813 15-Oxotriacontanal C30H58O2 450.443681 NA MeJP NA NA +MJ065814 21-Triacontenoic acid C30H58O2 450.443681 NA MeJP NA NA +MJ065815 23-Triacontenoic acid C30H58O2 450.443681 NA MeJP NA NA +MJ065816 24-Triacontenoic acid C30H58O2 450.443681 NA MeJP NA NA +MJ065817 28-Methyl-27-nonacosenoic acid C30H58O2 450.443681 NA MeJP NA NA +MJ065818 7,9-Triacontanedione C30H58O2 450.443681 NA MeJP NA NA +MJ065819 7-Oxotriacontanal C30H58O2 450.443681 NA MeJP NA NA +MJ065820 9-Oxotriacontanal C30H58O2 450.443681 NA MeJP NA NA +MJ065821 16-Hentriacontanone C31H62O 450.480066 NA MeJP NA NA +MJ065822 2-Hentriacontanone C31H62O 450.480066 NA MeJP NA NA +MJ065823 25-Methyl-10-triacontanone C31H62O 450.480066 NA MeJP NA NA +MJ065824 3,11-Dimethyl-2-nonacosanone C31H62O 450.480066 NA MeJP NA NA +MJ065825 7-Methyl-4-triacontanone C31H62O 450.480066 NA MeJP NA NA +MJ065826 9-Hentriacontanone C31H62O 450.480066 NA MeJP NA NA +C08379 Hentriacontan-16-one C31H62O 450.4801 NA KEGG NA NA +MJ065827 Dotriacontane C32H66 450.516452 NA MeJP NA NA +3577 NA QSQPQAFP 450.7075 MH2+ Inhouse_peptide NA peptide +7879 peptide from b-casein (ovine and caprine milk) YQEPVLGP 450.72 MH2+ Inhouse_peptide NA peptide +MJ065828 Keronopsin B1; 17-Bromo C18H15Br2NO3 450.941868 NA MeJP NA NA +MJ065829 Chloro[hexahydro-1H-1,4,7-triazonine-1,4,7-triacetato(3-)-N1,N4,N7,O1,O4,O7]indate(1-)hydrogen C12H19ClInN3O6 451.000116 NA MeJP NA NA +MJ065830 Kenazepine C19H16BrClFN3O2 451.009845 NA MeJP NA NA +MJ065831 1-[Caffeoyloxy(carboxy)methoxy]-1H-pyrrole-2,3,5-tricarboxylic acid C18H13NO13 451.038689 NA MeJP NA NA +MJ065832 3-Hydroxy-5-(methylthio)pentyl glucosinolate C13H25NO10S3 451.064058 NA MeJP NA NA +MJ065833 5-(Methylthio)pentyl glucosinolate; S-Oxide C13H25NO10S3 451.064058 NA MeJP NA NA +C08400 Glucoalyssin C13H25NO10S3 451.0641 NA KEGG NA NA +MJ065834 Broclepride C20H23BrClN3O2 451.066217 NA MeJP NA NA +MJ065835 Ascamycin C13H18ClN7O7S 451.067694 NA MeJP NA NA +MJ065836 Aqua[1,1-bis(aminomethyl)cyclohexane]sulfatoplatinum(II) C8H20N2O5PtS 451.074066 NA MeJP NA NA +C06433 5'-Benzoylphosphoadenosine C17H18N5O8P 451.0893 NA KEGG NA NA +MJ065837 4-Phenylbutyl glucosinolate C17H25NO9S2 451.097072 NA MeJP NA NA +MJ065838 4-[(Diphenylacetyl)oxy]-1,1-dimethylpiperidinium(1+); Iodide C21H26INO2 451.100822 NA MeJP NA NA +MJ065839 Yokonoside C20H21NO11 451.11146 NA MeJP NA NA +MJ065840 6-(2-Chlorophenyl)-9-(cyclopropylcarbonyl)-7,8,9,10-tetrahydro-1,4-dimethyl-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine C23H22ClN5OS 451.123358 NA MeJP NA NA +MJ065841 Anthracyclinone blue B C24H21NO8 451.126716 NA MeJP NA NA +MJ065842 Stilonium(1+), Iodide C22H30INO 451.137208 NA MeJP NA NA +PJ001699 SCNE C15H25N5O9S 451.1373 NA PeJP NA NA +C14791 (1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene C20H25N3O7S 451.1413 NA KEGG NA NA +C14792 (1S)-Hydroxy-(2S)-glutathionyl-1,2-dihydronaphthalene C20H25N3O7S 451.1413 NA KEGG NA NA +C14793 (1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene C20H25N3O7S 451.1413 NA KEGG NA NA +MJ065843 Simmondsin; Di-O-de-Me, 2-O-benzoyl C21H25NO10 451.147846 NA MeJP NA NA +MJ065844 Simmondsin; Di-O-de-Me, 3-O-benzoyl C21H25NO10 451.147846 NA MeJP NA NA +MJ065845 Simmondsin; Di-O-de-Me, 4-O-benzoyl C21H25NO10 451.147846 NA MeJP NA NA +PJ001700 GSCW C19H25N5O6S 451.1526 NA PeJP NA NA +MJ065846 Antibiotic TAN 1030A; 4'-De(hydroxyimino), 4'-oxo C27H21N3O4 451.153206 NA MeJP NA NA +MJ065847 Ftorpropazine C22H24F3N3O2S 451.154132 NA MeJP NA NA +PJ001701 GSSSD C15H25N5O11 451.1551 NA PeJP NA NA +PJ001702 GNMM C16H29N5O6S2 451.1559 NA PeJP NA NA +PJ001703 GGGMM C16H29N5O6S2 451.156 NA PeJP NA NA +MJ065848 Piflutixol C24H25F4NOS 451.159297 NA MeJP NA NA +C14524 Flucythrinate C26H23F2NO4 451.1595 NA KEGG NA NA +PJ001704 ACCR C15H29N7O5S2 451.1672 NA PeJP NA NA +PJ001705 GNDF C19H25N5O8 451.1703 NA PeJP NA NA +PJ001706 SSQM C16H29N5O8S 451.1737 NA PeJP NA NA +MJ065849 Uvarindole D C29H25NO4 451.178358 NA MeJP NA NA +MJ065850 Pseudolycorine; 1-O-?-D-Glucopyranoside C22H29NO9 451.184231 NA MeJP NA NA +PJ001707 SSCR C15H29N7O7S 451.1849 NA PeJP NA NA +MJ065851 Doxazosin C23H25N5O5 451.185568 NA MeJP NA NA +C06970 Doxazosin C23H25N5O5 451.1856 NA KEGG NA NA +MJ065852 Homofenazine C23H28F3N3OS 451.190517 NA MeJP NA NA +PJ001708 GSSTT C16H29N5O10 451.1915 NA PeJP NA NA +PJ001709 ACKM C17H33N5O5S2 451.1923 NA PeJP NA NA +FLIAA9NIN001 Piscerythramine;4'-Amino-5,7,3'-trihydroxy-5'-methoxy-2',6'-diprenylisoflavone C26H29NO6 451.19948 132923-36-5 knapsack NA NA +MJ065853 Isopiscerythramine C26H29NO6 451.199487 NA MeJP NA NA +MJ065854 Piscerythramine C26H29NO6 451.199487 NA MeJP NA NA +C10518 Piscerythramine C26H29NO6 451.1995 NA KEGG NA NA +MJ065855 Dysidine C23H33NO6S 451.202858 NA MeJP NA NA +MJ065856 Gerambullin; 12-Methoxy, 8'-hydroxy C23H33NO6S 451.202858 NA MeJP NA NA +2834 papain inhibitor GGYR 451.206 NA Inhouse_peptide NA peptide +PJ001710 AAQY C20H29N5O7 451.2067 NA PeJP NA NA +PJ001711 SSKM C17H33N5O7S 451.2101 NA PeJP NA NA +C11221 Formylmethionyl-leucyl-phenylalanine methyl ester C22H33N3O5S 451.2141 NA KEGG NA NA +PJ001712 NRY C19H29N7O6 451.2179 NA PeJP NA NA +PJ001713 GGRY C19H29N7O6 451.218 NA PeJP NA NA +MJ065857 Antibiotic AB 3217A; 13-O-(4-Methylpentanoyl) C23H33NO8 451.220617 NA MeJP NA NA +MJ065858 N-[4-(8-Cyano-1,3a,4,9b-tetrahydro[1]benzopyrano[3,4-c]pyrrol-2(3H)-yl)butyl][1,1'-biphenyl]-4-carboxamide C29H29N3O2 451.225977 NA MeJP NA NA +MJ065859 Paxilline; 14a?-Hydroxy C27H33NO5 451.235873 NA MeJP NA NA +MJ065860 Terpendole H C27H33NO5 451.235873 NA MeJP NA NA +MJ065861 Trideacetylpyripyropene A; 7,11,19-Trideoxy, 3-Ac C27H33NO5 451.235873 NA MeJP NA NA +2611 synthetic peptide inhibitors of (PEP) IYPFPGPI 451.238 MH2+ Inhouse_peptide NA peptide +PJ001714 AAKY C21H33N5O6 451.2431 NA PeJP NA NA +MJ065862 Alkaloid LBZ C26H33N3O4 451.247106 NA MeJP NA NA +PJ001715 APKH C20H33N7O5 451.2543 NA PeJP NA NA +MJ065863 Bonvalol C24H37NO7 451.257002 NA MeJP NA NA +MJ065864 Delboxine C24H37NO7 451.257002 NA MeJP NA NA +MJ065865 Delcorine; O1,O14-Di-de-Me C24H37NO7 451.257002 NA MeJP NA NA +MJ065866 Delcorine; O1,O16-Di-de-Me C24H37NO7 451.257002 NA MeJP NA NA +MJ065867 Delcosine; 14-Ketone C24H37NO7 451.257002 NA MeJP NA NA +MJ065868 Dictyocarpinine C24H37NO7 451.257002 NA MeJP NA NA +MJ065869 Erythrophleum C24 Alkaloid C24H37NO7 451.257002 NA MeJP NA NA +MJ065870 Gadesine; 18-Hydroxy, O14-Me C24H37NO7 451.257002 NA MeJP NA NA +MJ065871 Gadesine; 18-Methoxy C24H37NO7 451.257002 NA MeJP NA NA +MJ065872 Ibukinamine; O6-Me C24H37NO7 451.257002 NA MeJP NA NA +MJ065873 Norerythrosuamide; 3?-Hydroxy C24H37NO7 451.257002 NA MeJP NA NA +MJ065874 Vaginatine; 14-Ketone C24H37NO7 451.257002 NA MeJP NA NA +MJ065875 3',4'-Dideoxykanamycin B C18H37N5O8 451.264213 NA MeJP NA NA +EUR731 Lyso PC 14:1 [M-H-CH3]- C22H44NO7P 451.269892 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR829 Lyso PE 16:1 monoisotopic mass C21H42NO7P 451.269892 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR731 Lyso PC 14:1 [M-H-CH3]- C22H44NO7P 451.269892 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR829 Lyso PE 16:1 monoisotopic mass C21H42NO7P 451.269892 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR731 Lyso PC 14:1 [M-H-CH3]- C22H44NO7P 451.269892 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR829 Lyso PE 16:1 monoisotopic mass C21H42NO7P 451.269892 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR731 Lyso PC 14:1 [M-H-CH3]- C22H44NO7P 451.269892 masses lipides attendues Inhousejuil11 NA NA +EUR829 Lyso PE 16:1 monoisotopic mass C21H42NO7P 451.269892 masses lipides attendues Inhousejuil11 NA NA +HMDB11474 LysoPE(0:0/16:1(9Z)) C21H42NO7P 451.269897 NA HMDB2010 NA NA +HMDB11504 LysoPE(16:1(9Z)/0:0) C21H42NO7P 451.269897 NA HMDB2010 NA NA +MJ065876 7,18,19-Trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(12),13-diene-1,21-dione; 18-Deoxy C28H37NO4 451.272258 NA MeJP NA NA +MJ065877 7,18,19-Trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(12),13-diene-1,21-dione; 19-Deoxy C28H37NO4 451.272258 NA MeJP NA NA +MJ065878 Cytochalasin O C28H37NO4 451.272258 NA MeJP NA NA +MJ065879 Echinophyllin A C28H37NO4 451.272258 NA MeJP NA NA +MJ065880 Echinophyllin D C28H37NO4 451.272258 NA MeJP NA NA +MJ065881 Epoxycytochalasin H; O-De-Ac C28H37NO4 451.272258 NA MeJP NA NA +MJ065882 Homprenorphine C28H37NO4 451.272258 NA MeJP NA NA +MJ065883 Terpendole F; 19-Aldehyde C28H37NO4 451.272258 NA MeJP NA NA +MJ065884 Zygosporin D; 17-Deoxo C28H37NO4 451.272258 NA MeJP NA NA +MJ065885 Isoleucylamiclenomycylglutamic acid; NIle-Me, amide C22H37N5O5 451.279469 NA MeJP NA NA +MJ065886 Chasmanine C25H41NO6 451.293388 NA MeJP NA NA +MJ065887 Delsoline; 1-Deoxy C25H41NO6 451.293388 NA MeJP NA NA +MJ065888 Dihydrogadesine; O1,O14-Di-Me C25H41NO6 451.293388 NA MeJP NA NA +MJ065889 Senbusine A; O1,O14-Di-Me C25H41NO6 451.293388 NA MeJP NA NA +MJ065890 Senbusine A; O1,O6,O14-Tri-Me, O18-de-Me C25H41NO6 451.293388 NA MeJP NA NA +C08187 Cabergoline C26H37N5O2 451.2947 NA KEGG NA NA +C08188 Transferred to D00988 C26H37N5O2 451.2947 NA KEGG NA NA +C08189 Transferred to D00989 C26H37N5O2 451.2947 NA KEGG NA NA +C08190 Transferred to D00990 C26H37N5O2 451.2947 NA KEGG NA NA +MJ065891 Cabergoline C26H37N5O2 451.294725 NA MeJP NA NA +CJneg0607 Chenodeoxyglycocholic acid [(M-H)]- (18O) C26H42NO418O 451.318925 C18rt(min)=8.86 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0607 Chenodeoxyglycocholic acid [(M-H)]- (18O) C26H42NO418O 451.318925 C18rt(min)=8.86 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +HMDB00483 5b-Cholestane-3a,7a,12a,23S,25-pentol C27H47O5 451.342346 NA HMDB2010 NA NA +MJ065892 Mycalazoles; Mycalazole 1, 7',8'-Dihydro C30H45NO2 451.345029 NA MeJP NA NA +MJ065893 Chonemorphine; N-(3-Pyridinecarbonyl) C29H45N3O 451.356263 NA MeJP NA NA +MJ065894 Solapalmitenine C28H57N3O 451.450163 NA MeJP NA NA +MJ065895 Hexacosanoic acid; 2-Methylpropylamide C30H61NO 451.475315 NA MeJP NA NA +MJ065896 Bis(2,4-dichlorophenyl)iodonium(1+); Chloride C12H6Cl5I 451.795682 NA MeJP NA NA +MJ065897 Bromotriphlorethol A1 C18H13BrO9 451.974294 NA MeJP NA NA +MJ065898 Bromotriphlorethol A2 C18H13BrO9 451.974294 NA MeJP NA NA +MJ065899 Mannitol, Hexanitrate C6H8N6O18 451.989507 NA MeJP NA NA +MJ065900 20-Bromo-5,11,15,19-eicosatetraene-9,17-diynoic acid, 6-Bromo(Z) C20H22Br2O2 451.998655 NA MeJP NA NA +MJ065901 3,4-Hexahydroxydiphenoylarabinose C19H16O13 452.05909 NA MeJP NA NA +MJ065902 1,3,5,6,7-Pentahydroxyxanthone; 3-Me ether, 7-O-?-D-glucopyranoside C20H20O12 452.095476 NA MeJP NA NA +MJ065903 6-Galloylglucose; ?-D-Pyranose-form, 1-(4-Hydroxybenzoyl) C20H20O12 452.095476 NA MeJP NA NA +MJ065904 Exserohilone; 9,10-Dihydro C20H24N2O6S2 452.107577 NA MeJP NA NA +C10217 Cinchonain 1a C24H20O9 452.1107 NA KEGG NA NA +FL63ACNN0004 9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one C24H20O9 452.11073 88903-73-5 knapsack NA NA +FL63ACNN0005 Cinchonain Ib C24H20O9 452.11073 85022-69-1 knapsack NA NA +FL63ACNN0006 Cinchonain Ic C24H20O9 452.11073 85081-22-7 knapsack NA NA +FL63ACNN0007 Cinchonain Id C24H20O9 452.11073 85022-67-9 knapsack NA NA +FL63AGNN0002 Epigallocatechin 3-O-p-coumarate C24H20O9 452.11073 89013-65-0 knapsack NA NA +MJ065905 2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)benzoquinone; 2-O-(4R,5S-dihydroxy-2-hexenoyl) C24H20O9 452.110732 NA MeJP NA NA +MJ065906 3,3',4',5,5',7-Hexahydroxyflavan, 3-O-(4-Hydroxycinnamoyl) C24H20O9 452.110732 NA MeJP NA NA +MJ065907 9-[(2,3-Dihydro-6-hydroxy-2-(hydroxymethyl)-3-benzofuranyl)oxy]-3,10-dihydroxy-6H-dibenzo[b,d]pyran-6-one; 7'-Methoxy, 10-Me ether C24H20O9 452.110732 NA MeJP NA NA +MJ065908 Cadensin A C24H20O9 452.110732 NA MeJP NA NA +MJ065909 Cinchonain Ia C24H20O9 452.110732 NA MeJP NA NA +MJ065910 Cinchonain Ic C24H20O9 452.110732 NA MeJP NA NA +MJ065911 Palmarumycin C15; 4,5-Dihydro, 3-ketone, di-Ac C24H20O9 452.110732 NA MeJP NA NA +MJ065912 Subalatin C24H20O9 452.110732 NA MeJP NA NA +PJ001716 CCNN C14H24N6O7S2 452.1148 NA PeJP NA NA +MJ065913 Nuezhenidic acid C17H24O14 452.116605 NA MeJP NA NA +PJ001717 SCDE C15H24N4O10S 452.1213 NA PeJP NA NA +PJ001718 PCCM C16H28N4O5S3 452.1222 NA PeJP NA NA +MJ065914 18-Chloro-15,16-epoxy-4,6,19-trihydroxy-3-oxo-13(16),14-clerodadien-20,12-olide, 6-Ketone, 19-Ac C22H25ClO8 452.123795 NA MeJP NA NA +MJ065915 Anigopreissin A C28H20O6 452.125988 NA MeJP NA NA +MJ065916 Betulifol A C28H20O6 452.125988 NA MeJP NA NA +MJ065917 ?-Viniferin, 7',8'-Didehydro C28H20O6 452.125988 NA MeJP NA NA +FL1DACCS0001 Aspalathin;3-(3,4-Dihydroxyphenyl)-1-(3-beta-D-glucopyranosyl-2,4,6-trihydroxyphenyl)-1-propanone C21H24O11 452.13186 6027-43-6 knapsack NA NA +FL1DACGS0001 Sieboldin C21H24O11 452.13186 18777-73-6 knapsack NA NA +FL1DHXCS0002 Coatline B C21H24O11 452.13186 87441-89-2 knapsack NA NA +FL63ACCS0001 6-C-Glucopyranosylepicatechin C21H24O11 452.13186 103215-49-2 knapsack NA NA +FL63ACCS0002 8-C-Glucopyranosylepicatechin C21H24O11 452.13186 103215-48-1 knapsack NA NA +FL63ACCS0003 6-C-Glucopyranosylcatechin C21H24O11 452.13186 105371-27-5 knapsack NA NA +FL63ACCS0004 8-C-Glucopyranosylcatechin C21H24O11 452.13186 105371-26-4 knapsack NA NA +FL63ACCS0005 Epicatechin 8-C-beta-D-galactoside C21H24O11 452.13186 - knapsack NA NA +FL63ACGS0002 Epicatechin 3-O-beta-D-allopyranoside C21H24O11 452.13186 98819-14-8 knapsack NA NA +FL63ACGS0005 Catechin 3-O-beta-D-glucopyranoside C21H24O11 452.13186 109280-46-8 knapsack NA NA +FL63ACGS0006 Epicatechin 3-O-beta-D-glucopyranoside C21H24O11 452.13186 103303-00-0 knapsack NA NA +FL63ACGS0010 Catechin 5-O-beta-D-glucopyranoside C21H24O11 452.13186 88126-53-8 knapsack NA NA +FL63ACGS0011 Epicatechin 5-O-beta-D-glucopyranoside C21H24O11 452.13186 131831-20-4 knapsack NA NA +FL63ACGS0016 Catechin 7-O-beta-D-glucopyranoside C21H24O11 452.13186 65597-47-9 knapsack NA NA +FL63ACGS0017 ent-Catechin 7-O-beta-D-glucopyranoside C21H24O11 452.13186 88197-03-9 knapsack NA NA +FL63ACGS0019 Catechin 3'-O-beta-D-glucopyranoside C21H24O11 452.13186 105330-51-6 knapsack NA NA +FL63ACGS0020 Catechin 4'-O-beta-D-glucopyranoside C21H24O11 452.13186 105330-52-7 knapsack NA NA +FL6DAAGS0001 Leucopelargonidin 3-O-glucoside C21H24O11 452.13186 27960-39-0 knapsack NA NA +FL6DACGS0003 Catechin-4-ol 3-O-alpha-L-rhamnopyranoside C21H24O11 452.13186 75303-46-7 knapsack NA NA +MJ065918 2',3,4,4',6'-Pentahydroxydihydrochalcone; 2'-O-?-D-Galactopyranoside C21H24O11 452.131861 NA MeJP NA NA +MJ065919 2',3,4,4',6'-Pentahydroxydihydrochalcone; 2'-O-?-D-Glucopyranoside C21H24O11 452.131861 NA MeJP NA NA +MJ065920 2',3,4,4',6'-Pentahydroxydihydrochalcone; 4'-O-?-D-Glucopyranoside C21H24O11 452.131861 NA MeJP NA NA +MJ065921 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3,4-Dihydroxybenzoyl-(?6)-?-D-glucopyranoside] C21H24O11 452.131861 NA MeJP NA NA +MJ065922 2-(4-Hydroxyphenyl)ethanol; 1-O-[3,4,5-Trihydroxybenzoyl-(?3)-?-D-glucopyranoside] C21H24O11 452.131861 NA MeJP NA NA +MJ065923 2-(4-Hydroxyphenyl)ethanol; 1-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C21H24O11 452.131861 NA MeJP NA NA +MJ065924 2-(4-Hydroxyphenyl)ethanol; 4'-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C21H24O11 452.131861 NA MeJP NA NA +MJ065925 3,3',4',5,7-Pentahydroxyflavan, 3-O-?-D-Allopyranoside C21H24O11 452.131861 NA MeJP NA NA +MJ065926 3,3',4',5,7-Pentahydroxyflavan, 3-O-?-D-Glucopyranoside C21H24O11 452.131861 NA MeJP NA NA +MJ065927 3,3',4',5,7-Pentahydroxyflavan, 5-O-?-D-Glucopyranoside C21H24O11 452.131861 NA MeJP NA NA +MJ065928 3,3',4',5,7-Pentahydroxyflavan, 7-O-?-D-Glucopyranoside C21H24O11 452.131861 NA MeJP NA NA +MJ065929 3,3',4',5,7-Pentahydroxyflavan, 3'-O-?-D-Glucopyranoside C21H24O11 452.131861 NA MeJP NA NA +MJ065930 3,3',4',5,7-Pentahydroxyflavan, 3-O-?-D-Glucopyranoside C21H24O11 452.131861 NA MeJP NA NA +MJ065931 3,3',4',5,7-Pentahydroxyflavan, 4'-O-?-D-Glucopyranoside C21H24O11 452.131861 NA MeJP NA NA +MJ065932 3,3',4',5,7-Pentahydroxyflavan, 5-O-?-D-Glucopyranoside C21H24O11 452.131861 NA MeJP NA NA +MJ065933 3,3',4',5,7-Pentahydroxyflavan, 7-O-?-D-Glucopyranoside C21H24O11 452.131861 NA MeJP NA NA +MJ065934 3,3',4,4',5,7-Hexahydroxyflavan, 3-O-?-L-Rhamnopyranoside C21H24O11 452.131861 NA MeJP NA NA +MJ065935 3,4,4',5,7-Pentahydroxyflavan, 3-O-?-D-Glucopyranoside C21H24O11 452.131861 NA MeJP NA NA +MJ065936 3,4-Dihydroxybenzyl alcohol; 1'-O-(3-Hydroxy-4-methoxybenzoyl), 4-O-?-D-glucopyranoside C21H24O11 452.131861 NA MeJP NA NA +MJ065937 3-Butylidene-1(3H)-isobenzofuranone, 7-Hydroxy, 7-O-(6-O-malonyl-?-D-glucopyranoside) C21H24O11 452.131861 NA MeJP NA NA +MJ065938 3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone; 3',4'-Di-Me ether C21H24O11 452.131861 NA MeJP NA NA +MJ065939 5,7-Dihydroxy-2,6-dimethyl-4H-1-benzopyran-4-one; 7-O-(2,6-Di-O-acetyl-?-D-glucopyranoside) C21H24O11 452.131861 NA MeJP NA NA +MJ065940 6-Glucopyranosyl-3,3',4',5,7-pentahydroxyflavan C21H24O11 452.131861 NA MeJP NA NA +MJ065941 8-Glucopyranosyl-3,3',4',5,7-pentahydroxyflavan C21H24O11 452.131861 NA MeJP NA NA +MJ065942 Aspalathin C21H24O11 452.131861 NA MeJP NA NA +MJ065943 Coatline A C21H24O11 452.131861 NA MeJP NA NA +MJ065944 Curculigoside; O-De-Me C21H24O11 452.131861 NA MeJP NA NA +MJ065945 Eranthin; 1''-Hydroxy, 4'-O-?-D-glucopyranoside C21H24O11 452.131861 NA MeJP NA NA +MJ065946 Olinioside C21H24O11 452.131861 NA MeJP NA NA +MJ065947 Precarthamin C21H24O11 452.131861 NA MeJP NA NA +PJ001719 GDMM C16H28N4O7S2 452.14 NA PeJP NA NA +MJ065948 Speranculatine A C20H24N2O10 452.143094 NA MeJP NA NA +C12404 Urdamycinone B C25H24O8 452.1471 NA KEGG NA NA +FL3FA9NP0006 (9R,10S)-rel-(-)-9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C25H24O8 452.14711 613246-07-4 knapsack NA NA +FL3FACND0001 Epimedokoreanin A;2-(3,4-Dihydro-3,4,8-trihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-4-one C25H24O8 452.14711 157998-97-5 knapsack NA NA +MJ065949 Atramycin A; 6-Deoxy C25H24O8 452.147117 NA MeJP NA NA +MJ065950 Epimedokoreanin A C25H24O8 452.147117 NA MeJP NA NA +MJ065951 Maackolin C25H24O8 452.147117 NA MeJP NA NA +MJ065952 Propolisbenzofuran A C25H24O8 452.147117 NA MeJP NA NA +PJ001720 GDDF C19H24N4O9 452.1544 NA PeJP NA NA +PJ001721 SSEM C16H28N4O9S 452.1577 NA PeJP NA NA +PJ001722 GCHH C17H24N8O5S 452.1591 NA PeJP NA NA +MJ065953 7-Protoilludene-1,5,6,14-tetrol, 5-(3-Chloro-4,6-dihydroxy-2-methylbenzoyl) C23H29ClO7 452.16018 NA MeJP NA NA +MJ065954 Chaetoviridin D; 12-Deoxy C23H29ClO7 452.16018 NA MeJP NA NA +FL1DA9NC0007 Chamuvaritin;1-[1,3-Dihydroxy-4-[(2-hydroxyphenyl)methyl]-9H-xanthen-2-yl]-3-phenyl-1-propanone C29H24O5 452.16237 64675-27-0 knapsack NA NA +MJ065955 1,8-Bis(4-hydroxybenzyl)-4-methoxy-2,7-phenanthrenediol C29H24O5 452.162373 NA MeJP NA NA +MJ065956 Chamuvaritin C29H24O5 452.162373 NA MeJP NA NA +MJ065957 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Me ether, 8,10,13-tri-Ac C22H28O10 452.168247 NA MeJP NA NA +MJ065958 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl), 13-Ac C22H28O10 452.168247 NA MeJP NA NA +MJ065959 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-Propanoyl, 1,13-di-Ac C22H28O10 452.168247 NA MeJP NA NA +MJ065960 1,8,15-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Hydroperoxide, 8-(3,4-dihydroxy-2-methylenebutanoyl), 15-Ac C22H28O10 452.168247 NA MeJP NA NA +MJ065961 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Di-Me ether, 3'-O-?-D-glucopyranoside C22H28O10 452.168247 NA MeJP NA NA +MJ065962 2,8,9,15-Tetrahydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Methylpropanoyl), 9-Ac, Me ester C22H28O10 452.168247 NA MeJP NA NA +MJ065963 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-O-[6-O-Formyl-?-D-glucopyranoside] C22H28O10 452.168247 NA MeJP NA NA +MJ065964 4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-Propanoyl, 10,13-di-Ac C22H28O10 452.168247 NA MeJP NA NA +MJ065965 8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether, 2'-ester with quinic acid C22H28O10 452.168247 NA MeJP NA NA +MJ065966 Eurycomanol; 13?,18-Dihydro, 2-ketone, 12-Ac C22H28O10 452.168247 NA MeJP NA NA +MJ065967 Floribundal C22H28O10 452.168247 NA MeJP NA NA +MJ065968 Isospatheliachromen; 3,4-Dihydro, 3S-hydroxy, 5-Me ether, 3-O-?-D-glucopyranoside C22H28O10 452.168247 NA MeJP NA NA +MJ065969 Peucenin; 4'-(?-D-Glucopyranosyloxy), 7-Me ether, C22H28O10 452.168247 NA MeJP NA NA +MJ065970 Visamminol, 5-Me ether, 4'-O-?-D-glucopyranoside C22H28O10 452.168247 NA MeJP NA NA +MJ065971 Tetrahydro-3-furanyl [[3-[[[[3-methoxy-4-(5-oxazolyl)phenyl]amino]carbonyl]amino]phenyl]methyl]carbamate C23H24N4O6 452.169584 NA MeJP NA NA +PJ001723 APCY C20H28N4O6S 452.173 NA PeJP NA NA +MJ065972 Flupimazine C23H27F3N2O2S 452.174533 NA MeJP NA NA +MJ065973 Abaperidone C25H25FN2O5 452.17475 NA MeJP NA NA +MJ065974 Supprescin A C16H28N4O11 452.175457 NA MeJP NA NA +PJ001724 ATMM C17H32N4O6S2 452.1763 NA PeJP NA NA +MJ065975 Clocortolone; 21-Ac C24H30ClFO5 452.176579 NA MeJP NA NA +FL1CAANP0003 Derrichalcone C26H28O7 452.1835 138079-39-3 knapsack NA NA +FL2FAANP0020 Derriflavanone C26H28O7 452.1835 146503-29-9 knapsack NA NA +FL2FAANP0021 epi-Derriflavanone C26H28O7 452.1835 146503-29-9 knapsack NA NA +FL2FCCNF0001 3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone C26H28O7 452.1835 325149-81-3 knapsack NA NA +FL3FALNI0020 Heteroartonin A;2-[2,5-Dihydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C26H28O7 452.1835 170894-23-2 knapsack NA NA +FL3FRNNI0001 Artonin S;(+)-6,7-Dihydro-3,9-dihydroxy-6-(1-hydroxy-1-methylethyl)-11-methoxy-10-(3-methyl-2-butenyl)-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one C26H28O7 452.1835 161017-02-3 knapsack NA NA +FL5FADNI0002 Dorsmanin D;3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C26H28O7 452.1835 211255-16-2 knapsack NA NA +FL5FDCNI0003 Broussoflavonol B C26H28O7 452.1835 99217-70-6 knapsack NA NA +FL5FFANI0003 5,7-Dihydroxy-8-methoxy-3,4'-diprenyloxyflavone C26H28O7 452.1835 160036-22-6 knapsack NA NA +MJ065976 2',4',5,5',7-Pentahydroxy-3,3'-diprenylflavone; 4'-Me ether C26H28O7 452.183503 NA MeJP NA NA +MJ065977 3',4',5,5',7-Pentahydroxy-2',6'-diprenylisoflavone; 3'-Me ether C26H28O7 452.183503 NA MeJP NA NA +MJ065978 3,3',5,7-Tetrahydroxy-6,8-diprenylflavone; 3'-Me ether C26H28O7 452.183503 NA MeJP NA NA +MJ065979 3,3',5,7-Tetrahydroxy-6,8-diprenylflavone; 3-Me ether C26H28O7 452.183503 NA MeJP NA NA +MJ065980 3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3,4'-Di-O-(3-methyl-2-butenyl) C26H28O7 452.183503 NA MeJP NA NA +MJ065981 7-(3,4-Dihydroxyphenyl)-7,8-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-5-(3-methyl-2-butenyl)-9H-furo[2,3-f][1]benzopyran-9-one C26H28O7 452.183503 NA MeJP NA NA +MJ065982 Bulgarialactone A; 1''-Hydroxy C26H28O7 452.183503 NA MeJP NA NA +MJ065983 Carapolide D C26H28O7 452.183503 NA MeJP NA NA +MJ065984 Chaplashin C26H28O7 452.183503 NA MeJP NA NA +MJ065985 Cyclomammeisin; 9-Methoxy C26H28O7 452.183503 NA MeJP NA NA +MJ065986 Derrichalcone C26H28O7 452.183503 NA MeJP NA NA +MJ065987 Derriflavanone C26H28O7 452.183503 NA MeJP NA NA +MJ065988 Kushenol C; 5-Me ether C26H28O7 452.183503 NA MeJP NA NA +MJ065989 Phyllanone A C26H28O7 452.183503 NA MeJP NA NA +MJ065990 Shanciol A C26H28O7 452.183503 NA MeJP NA NA +PJ001725 PPCH C19H28N6O5S 452.1842 NA PeJP NA NA +C07349 3'-Demethylstaurosporine C27H24N4O3 452.1848 NA KEGG NA NA +MJ065991 Okaramine A; N-De(1,1-dimethylpropenyl) C27H24N4O3 452.18484 NA MeJP NA NA +MJ065992 Staurosporine; O-De-Me C27H24N4O3 452.18484 NA MeJP NA NA +MetaCyc03610 3'-demethylstaurosporine [DMSTP;] C27H24N4O3 452.184841 NA metacyc NA NA +MJ065993 6-(3,6-Dihydro-6-methyl-2-oxo-2H-1,3,4-thiadiazin-5-yl)-1-[(3,4-dimethoxyphenyl)(ethylimino)methyl]-1,2,3,4-tetrahydroquinoline C24H28N4O3S 452.188211 NA MeJP NA NA +CJpos0795 Porphobilinogen [(2M+H)]+ C20H29N4O8 452.190175 C18rt(min)=4.85 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0795 Porphobilinogen [(2M+H)]+ C20H29N4O8 452.190175 C18rt(min)=4.85 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +PJ001726 AAEY C20H28N4O8 452.1907 NA PeJP NA NA +PJ001727 TTTM C17H32N4O8S 452.1941 NA PeJP NA NA +MJ065994 6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione, 21-Ac C24H30F2O6 452.201045 NA MeJP NA NA +MJ065995 Fluocinolone; 16,17-Acetonide C24H30F2O6 452.201045 NA MeJP NA NA +PJ001728 DRY C19H28N6O7 452.202 NA PeJP NA NA +MJ065996 1,4,6,9-Tetrahydroxy-11(13)-eudesmen-12,8-olide, 6-(Methylpropanoyl), 1,9-di-Ac C23H32O9 452.204632 NA MeJP NA NA +MJ065997 1,4,6,9-Tetrahydroxy-11(13)-eudesmen-12,8-olide, 9-(Methylpropanoyl), 1,6-di-Ac C23H32O9 452.204632 NA MeJP NA NA +MJ065998 1,5,15-Trihydroxy-2,6,10-farnesatrien-12-al; 9-Acetoxy, tri-Ac C23H32O9 452.204632 NA MeJP NA NA +MJ065999 1-[4-[2-Hydroxy-1-(hydroxymethyl)ethoxy]-3-methoxyphenyl]-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol C23H32O9 452.204632 NA MeJP NA NA +MJ066000 15-Hydroxy-4,11(13)-eudesmadien-12,8-olide, 15-O-(6-Acetyl-?-D-glucopyranoside) C23H32O9 452.204632 NA MeJP NA NA +MJ066001 3,8,9,10-Tetrahydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 3,9-di-Ac C23H32O9 452.204632 NA MeJP NA NA +MJ066002 4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, O-(6-O-Acetyl-?-D-glucopyranoside) C23H32O9 452.204632 NA MeJP NA NA +MJ066003 4-Hydroxy-9,11(13)-guaiadien-12,8-olide, O-(6-O-Acetyl-?-D-glucopyranoside) C23H32O9 452.204632 NA MeJP NA NA +MJ066004 8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 4?,5-Dihydro, 8-(2-methylbutanoyl), 9-Ac, Me ester C23H32O9 452.204632 NA MeJP NA NA +MJ066005 Neosolaniol; 8-(2-Methylpropanoyl) C23H32O9 452.204632 NA MeJP NA NA +MJ066006 Neosolaniol; 8-Butanoyl C23H32O9 452.204632 NA MeJP NA NA +PJ001729 TFW C24H28N4O5 452.206 NA PeJP NA NA +MetaCyc03611 dihydrogeranylgeranyl-PP [dihydroGGPP;dihydrogeranylgeranyl diphosphate;dihydrogeranylgeranyl pyrophosphate;] C20H38O7P2 452.209277 NA metacyc NA NA +C17439 Dihydrogeranylgeranyl diphosphate C20H38O7P2 452.2093 NA KEGG NA NA +PJ001730 GVMF C21H32N4O5S 452.2094 NA PeJP NA NA +MJ066007 Ochrindole A C29H28N2O3 452.209992 NA MeJP NA NA +MJ066008 Blasticidin S; 5-Hydroxymethyl C18H28N8O6 452.21318 NA MeJP NA NA +16 Actomyosin SLYA 452.216 celiac toxic Inhouse_peptide NA peptide +FL1CALNI0001 Kushenol D C27H32O6 452.21988 99217-65-9 knapsack NA NA +FL2FALNI0039 (2S)-2'-Methoxykurarinone;(2S)-7,4'-Dihydroxy-8-lavandulyl-5,2'-dimethoxyflavanone C27H32O6 452.21988 270249-38-2 knapsack NA NA +FL2FCDNI0001 Amoradinin C27H32O6 452.21988 94927-38-5 knapsack NA NA +MJ066009 11,14-Epoxy-15-hydroxy-3,12-cyathadien-17-oic acid, 15-Benzoyl C27H32O6 452.219888 NA MeJP NA NA +MJ066010 3',4',5,7-Tetrahydroxy-6,8-diprenylflavanone, 3',7 or 4',7-Di-Me ether C27H32O6 452.219888 NA MeJP NA NA +MJ066011 3,4-Dihydro-3,6,8,9-tetrahydroxy-3-methyl-1(2H)-anthracenone, 6-O-(3,7-Dimethyl-2,6-octadienyl)(E-), 3-Ac C27H32O6 452.219888 NA MeJP NA NA +MJ066012 3,4-Epoxy-6,8-dihydroxy-11,13-clerodadien-15,16-olide, 6-Benzoyl C27H32O6 452.219888 NA MeJP NA NA +MJ066013 6,8-Dihydroxy-3-oxo-11,13-clerodadien-15,16-olide, 6-Benzoyl C27H32O6 452.219888 NA MeJP NA NA +MJ066014 Arisugacin E; 3-Ketone C27H32O6 452.219888 NA MeJP NA NA +MJ066015 Kuraridin; O2-Me C27H32O6 452.219888 NA MeJP NA NA +MJ066016 Mediterraneol E C27H32O6 452.219888 NA MeJP NA NA +MJ066017 Nimbolide; 28-Deoxo C27H32O6 452.219888 NA MeJP NA NA +MJ066018 Sophoraflavanone G; 2',5-Di-Me ether C27H32O6 452.219888 NA MeJP NA NA +MJ066019 Tricoccin S7 C27H32O6 452.219888 NA MeJP NA NA +MJ066020 Vismione F; 3-Ac C27H32O6 452.219888 NA MeJP NA NA +MJ066021 Vismione G C27H32O6 452.219888 NA MeJP NA NA +C15461 17beta-Acetyl-1,2,3,4,6alpha,7alpha,10,12,13,14alpha,16,17- C27H32O6 452.2199 NA KEGG NA NA +PJ001731 MFR C20H32N6O4S 452.2206 NA PeJP NA NA +MJ066022 Roseophilin C27H33ClN2O2 452.223056 NA MeJP NA NA +MJ066023 Tioperidone C25H32N4O2S 452.224596 NA MeJP NA NA +MJ066024 1-Octen-3-ol, O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C20H36O11 452.225761 NA MeJP NA NA +MJ066025 HC Toxin I; 3''?-Hydroxy C21H32N4O7 452.227099 NA MeJP NA NA +PJ001732 GTLY C21H32N4O7 452.2271 NA PeJP NA NA +MJ066026 Delapril C26H32N2O5 452.231122 NA MeJP NA NA +MJ066027 Hippospongin E; ?-N-Ac C26H32N2O5 452.231122 NA MeJP NA NA +8146 peptide derived from rice bran proteins (Oryza sativa) AIRQGDVF 452.23195 MH2+ Inhouse_peptide NA peptide +C11189 Hoechst 33342 C27H28N6O 452.2325 NA KEGG NA NA +MJ066028 Neomangicol A C25H37ClO5 452.232952 NA MeJP NA NA +MJ066029 Bimolane C20H32N6O6 452.238332 NA MeJP NA NA +PJ001733 SPLH C20H32N6O6 452.2384 NA PeJP NA NA +MJ066030 11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 7,9-Di-Ac C24H36O8 452.241018 NA MeJP NA NA +MJ066031 16-Kaurene-1,3,6,7,11,15-hexol, 3,6-Di-Ac C24H36O8 452.241018 NA MeJP NA NA +MJ066032 16-Kaurene-1,3,6,7,11,15-hexol, 3,7-Di-Ac C24H36O8 452.241018 NA MeJP NA NA +MJ066033 16-Kaurene-2,3,6,7,11,15-hexol, 3,7-Di-Ac C24H36O8 452.241018 NA MeJP NA NA +MJ066034 2,19:4,18:11,16:15,16-Tetraepoxy-6,15,19-clerodanetriol, 19-Et ether, 6-Ac C24H36O8 452.241018 NA MeJP NA NA +MJ066035 2,19:4,18:11,16:15,16-Tetraepoxy-6,15,19-clerodanetriol, 15,19-Di-Me ether, 6-Ac C24H36O8 452.241018 NA MeJP NA NA +MJ066036 2,3-Epoxy-5,6,10,14,16-grayanotoxanepentol, 6,14-Di-Ac C24H36O8 452.241018 NA MeJP NA NA +MJ066037 3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(2-Acetoxy-3-hydroxy-2-methylbutanoyl), 4-Ac C24H36O8 452.241018 NA MeJP NA NA +MJ066038 3,7-Epoxy-4,8,13-trihydroxy-15(17)-cembren-16,14-olide, 8,13-Di-Ac C24H36O8 452.241018 NA MeJP NA NA +MJ066039 4(20),11-Taxadiene-2,5,9,10,13-pentol, 4?,20-Epoxide, 10,13-di-Ac C24H36O8 452.241018 NA MeJP NA NA +MJ066040 4,18:11,16:15,16-Triepoxy-6,15,19-clerodanetriol, 6,19-Di-Ac C24H36O8 452.241018 NA MeJP NA NA +MJ066041 4,20-Epoxy-11-taxene-2,5,9,10,13-pentol, 10,13-Di-Ac C24H36O8 452.241018 NA MeJP NA NA +MJ066042 4,6,18,19-Tetrahydroxy-13-cleroden-15,16-olide, 6,19-Di-Ac C24H36O8 452.241018 NA MeJP NA NA +MJ066043 6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 6-(2(or 3)-Methylbutanoyl), 9-(2-methylpropanoyl) C24H36O8 452.241018 NA MeJP NA NA +MJ066044 6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 9-(2(or3)-Methylbutanoyl), 6-(2-methylpropanoyl) C24H36O8 452.241018 NA MeJP NA NA +MJ066045 6-(2,12-Dihydroxytridecyl)-2,4-dihydroxybenzoic acid, 2',12'-Di-Ac C24H36O8 452.241018 NA MeJP NA NA +MJ066046 8,9-Epoxy-2,4,6,10-daucanetetrol, 6-Angeloyl, 2,10-di-Ac C24H36O8 452.241018 NA MeJP NA NA +MJ066047 Nigakihemiacetal A; 11-Ac C24H36O8 452.241018 NA MeJP NA NA +MJ066048 Difenoxin; Et ester C30H32N2O2 452.246378 NA MeJP NA NA +C07872 Diphenoxylate C30H32N2O2 452.2464 NA KEGG NA NA +C07873 Transferred to D00729 C30H32N2O2 452.2464 NA KEGG NA NA +MJ066049 Mutamicin 2a C18H36N4O9 452.248228 NA MeJP NA NA +MJ066050 14,20-Dihydroxy-1-oxowitha-2,4,6,24-tetraenolide C28H36O5 452.256274 NA MeJP NA NA +MJ066051 14,20-Dihydroxy-1-oxowitha-2,5,16,22-tetraenolide C28H36O5 452.256274 NA MeJP NA NA +MJ066052 14,20-Epoxy-1-oxowitha-2,5,24-trienolide, 17?-Hydroxy C28H36O5 452.256274 NA MeJP NA NA +MJ066053 14,20-Epoxy-1-oxowitha-2,5,24-trienolide, 27-Hydroxy C28H36O5 452.256274 NA MeJP NA NA +MJ066054 14,20-Epoxy-17-hydroxy-1-oxowitha-3,5,24-trienolide C28H36O5 452.256274 NA MeJP NA NA +MJ066055 14,20-Epoxy-27-hydroxy-1-oxowitha-3,5,24-trienolide C28H36O5 452.256274 NA MeJP NA NA +MJ066056 14,20-Epoxy-28-hydroxy-1-oxowitha-2,5,24-trienolide C28H36O5 452.256274 NA MeJP NA NA +MJ066057 2,3,22-Trihydroxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione; 22?-form C28H36O5 452.256274 NA MeJP NA NA +MJ066058 2,3-Dihydroxy-6-oxo-23,24-dinor-1,3,5(10),7-friedelatetraen-29-oic acid C28H36O5 452.256274 NA MeJP NA NA +MJ066059 21,24-Epoxy-12-hydroxy-1-oxowitha-2,5,25(27)-trienolide C28H36O5 452.256274 NA MeJP NA NA +MJ066060 3,12,14-Trihydroxypregn-5-en-20-one, 12-O-Benzoyl C28H36O5 452.256274 NA MeJP NA NA +MJ066061 3,20,21-Trihydroxy-24,29-dinor-1(10),3,5,7-friedelatetraene-2,22-dione C28H36O5 452.256274 NA MeJP NA NA +MJ066062 3,22-Dihydroxy-24,29-dinor-1(10),3,5-friedelatriene-2,7,21-trione; 22?-form C28H36O5 452.256274 NA MeJP NA NA +MJ066063 3-Hydroxy-24,30-dinor-2,20-dioxo-20,21-seco-1(10),3,5,7-friedelatetraen-21-oic acid C28H36O5 452.256274 NA MeJP NA NA +MJ066064 5,6-Epoxy-4-hydroxy-1-oxowitha-2,14,24-trienolide C28H36O5 452.256274 NA MeJP NA NA +MJ066065 Acnistin B C28H36O5 452.256274 NA MeJP NA NA +MJ066066 Azadirone; 14?,15?-Epoxide C28H36O5 452.256274 NA MeJP NA NA +MJ066067 Azadirone; 15-Oxo, 14?,15-dihydro C28H36O5 452.256274 NA MeJP NA NA +MJ066068 Azadirone; 6?-Acetoxy, 7-O-de-Ac C28H36O5 452.256274 NA MeJP NA NA +MJ066069 Azadirone; 6?-Hydroxy C28H36O5 452.256274 NA MeJP NA NA +MJ066070 Celastanhydride C28H36O5 452.256274 NA MeJP NA NA +MJ066071 Salpichrolide A; 1?-Alcohol C28H36O5 452.256274 NA MeJP NA NA +MJ066072 Tingenin A; 15?,22?-Dihydroxy C28H36O5 452.256274 NA MeJP NA NA +MJ066073 Tingenin A; 20?,22?-Dihydroxy C28H36O5 452.256274 NA MeJP NA NA +MJ066074 Tingenin A; 20?,22?-Dihydroxy C28H36O5 452.256274 NA MeJP NA NA +MJ066075 Vepinin C28H36O5 452.256274 NA MeJP NA NA +MJ066076 Withametelin B C28H36O5 452.256274 NA MeJP NA NA +MJ066077 Withametelin; 5?,6?-Epoxide C28H36O5 452.256274 NA MeJP NA NA +MJ066078 Withanolide L C28H36O5 452.256274 NA MeJP NA NA +MJ066079 Withanolide N C28H36O5 452.256274 NA MeJP NA NA +MJ066080 Withanolide O C28H36O5 452.256274 NA MeJP NA NA +MJ066081 Withanolide U C28H36O5 452.256274 NA MeJP NA NA +MJ066082 Usambarensine; 1'R,2',3',4'-Tetrahydro, Nb-oxide(?-) C29H32N4O 452.257611 NA MeJP NA NA +MJ066083 Usambarensine; 6'-Hydroxy, 1'R,2',3',4'-tetrahydro C29H32N4O 452.257611 NA MeJP NA NA +MJ066084 Usambarensine; 6'-Hydroxy,1'S,2',3',4'-tetrahydro C29H32N4O 452.257611 NA MeJP NA NA +MJ066085 Halisulfate 2 C25H40O5S 452.259645 NA MeJP NA NA +MJ066086 Halisulfate 3 C25H40O5S 452.259645 NA MeJP NA NA +MJ066087 Halisulfate 5 C25H40O5S 452.259645 NA MeJP NA NA +MJ066088 Sulfircin C25H40O5S 452.259645 NA MeJP NA NA +MJ066089 Isoleucylamiclenomycylglutamic acid; NIle-Me C22H36N4O6 452.263484 NA MeJP NA NA +C07670 Repaglinide C27H36N2O4 452.2675 NA KEGG NA NA +MJ066090 Cephaeline, O-De-Me C27H36N2O4 452.267507 NA MeJP NA NA +MJ066091 Cephaeline, O10-De-Me C27H36N2O4 452.267507 NA MeJP NA NA +MJ066092 Cephaeline, O7'-De-Me C27H36N2O4 452.267507 NA MeJP NA NA +MJ066093 Repaglinide C27H36N2O4 452.267507 NA MeJP NA NA +PJ001734 ALLH C21H36N6O5 452.2747 NA PeJP NA NA +MJ066094 13,14,15-Trihydroxy-7-labden-17-oic acid, 14,15-Di-Ac, 17-Me ester C25H40O7 452.277403 NA MeJP NA NA +MJ066095 15,16-Epoxy-3-clerodene-7,15,18-triol, 15-Me ether, 18-(methylmalonoyl) C25H40O7 452.277403 NA MeJP NA NA +MJ066096 3,13-Clerodadiene-15,17-diol, 17-Carboxylic acid, 15-O-?-D-xylopyranoside C25H40O7 452.277403 NA MeJP NA NA +MJ066097 4,6,8,10-Tetrahydroxy-9-daucanone, 9?-Alcohol, 6,10-diangeloyl C25H40O7 452.277403 NA MeJP NA NA +MJ066098 Pregnane-3,12,14,17,20-pentol, 12,20-Di-Ac C25H40O7 452.277403 NA MeJP NA NA +MJ066099 13(16),14-Labdadiene-8,19-diol; 8?-form, 19-(4-Hydroxycinnamoyl)(E-) C29H40O4 452.292659 NA MeJP NA NA +MJ066100 15-Hydroxy-1(10)-halimen-18-oic acid, Cinnamoyl (E-) C29H40O4 452.292659 NA MeJP NA NA +MJ066101 15-Hydroxy-1(10)-halimen-18-oic acid, Cinnamoyl (Z-) C29H40O4 452.292659 NA MeJP NA NA +MJ066102 15-Kaurene-17,19-diol; ent-form, 19-[3-(4-Hydroxyphenyl)propanoyl] C29H40O4 452.292659 NA MeJP NA NA +MJ066103 17,19-Kauranediol, 17-Aldehyde, 19-O-[3-(4-hydroxyphenyl)propanoyl] C29H40O4 452.292659 NA MeJP NA NA +MJ066104 2,3-Dihydroxy-24-nor-1,3,5(10),7-friedelatetraen-29-oic acid C29H40O4 452.292659 NA MeJP NA NA +MJ066105 4-Methyl-3,11-dioxoergosta-8,14,24(28)-trien-26-oic acid C29H40O4 452.292659 NA MeJP NA NA +MJ066106 7-Labdene-15,17-diol, 17-Carboxylic acid, 15-O-Z-cinnamoyl C29H40O4 452.292659 NA MeJP NA NA +MJ066107 Excelsine C29H40O4 452.292659 NA MeJP NA NA +MJ066108 Jingullic acid C29H40O4 452.292659 NA MeJP NA NA +MJ066109 Natalic acid C29H40O4 452.292659 NA MeJP NA NA +MJ066110 Pfaffic acid; 11-Oxo, 3-ketone C29H40O4 452.292659 NA MeJP NA NA +MJ066111 Usambarine; 18,19-Dihydro C30H36N4 452.293997 NA MeJP NA NA +MJ066112 10-Aromadendranol, O-[2-Methylbutanoyl-(?2)-?-D-fucopyranoside] C26H44O6 452.313789 NA MeJP NA NA +MJ066113 11-Eudesmen-4-ol, 4-O-[2S-Methylbutanoyl-(?2)-?-D-fucopyranoside] C26H44O6 452.313789 NA MeJP NA NA +MJ066114 26,27-Dinorergost-22-ene-3,4,6,8,15,25-hexol C26H44O6 452.313789 NA MeJP NA NA +MJ066115 7,14-Labdadien-13-ol, O-(6-Deoxy-?-L-idopyranoside) C26H44O6 452.313789 NA MeJP NA NA +MJ066116 Amphidinolide T2 C26H44O6 452.313789 NA MeJP NA NA +MJ066117 Cameronic acid C26H44O6 452.313789 NA MeJP NA NA +MJ066118 Pregnane-3,12,14,17,20-pentol, 20-(2-Methylbutanoyl) C26H44O6 452.313789 NA MeJP NA NA +MJ066119 17-Hydroxyandrosta-1,4-dien-3-one; 17?-form, 17-(10-Undecenoyl) C30H44O3 452.329045 NA MeJP NA NA +MJ066120 21-Hydroxy-3-oxo-12-lupen-28-oic acid; 21?-form, 28?21 Lactone C30H44O3 452.329045 NA MeJP NA NA +MJ066121 22-Hydroxy-3-oxo-12-ursen-30-oic acid; 22?-form, 30?22 Lactone C30H44O3 452.329045 NA MeJP NA NA +MJ066122 25(9?8)-Abeo-3-oxo-4(23)-friedelen-24,1-olide C30H44O3 452.329045 NA MeJP NA NA +MJ066123 3,13-Dihydroxy-11-ursen-28-oic acid, 28?13 Lactone, 3-ketone C30H44O3 452.329045 NA MeJP NA NA +MJ066124 3,16-Dihydroxyeupha-7,24-dien-21-oic acid, 3-Ketone, (21?16)-lactone C30H44O3 452.329045 NA MeJP NA NA +MJ066125 3,21-Dihydroxy-11,13(18)-oleanadien-28-oic acid, 28?21 Lactone C30H44O3 452.329045 NA MeJP NA NA +MJ066126 3,22-Dihydroxy-12-oleanen-29-oic acid, 3-Ketone, 29?22 lactone C30H44O3 452.329045 NA MeJP NA NA +MJ066127 3,7-Dihydroxy-8-fernen-11-one, 3,7-Diketone C30H44O3 452.329045 NA MeJP NA NA +MJ066128 3-Hydroxy-12,18-ursadien-28-oic acid, 3-Ketone C30H44O3 452.329045 NA MeJP NA NA +MJ066129 3-Hydroxy-12,19-ursadien-28-oic acid, 3-Ketone C30H44O3 452.329045 NA MeJP NA NA +MJ066130 3-Hydroxy-9(11),12-oleanadien-30-oic acid, 3-Ketone C30H44O3 452.329045 NA MeJP NA NA +MJ066131 3-Hydroxylanosta-5,24-dien-26,22-olide, 3-Ketone C30H44O3 452.329045 NA MeJP NA NA +MJ066132 3-Hydroxylanosta-7,9(11),24-trien-26,23-olide C30H44O3 452.329045 NA MeJP NA NA +MJ066133 3-Oxo-1,12-oleanadien-30-oic acid C30H44O3 452.329045 NA MeJP NA NA +MJ066134 3-Oxo-1,20(29)-lupadien-26-oic acid C30H44O3 452.329045 NA MeJP NA NA +MJ066135 3-Oxo-13,14-secolanosta-1,5,7,24-tetraen-26-oic acid C30H44O3 452.329045 NA MeJP NA NA +MJ066136 3-Oxolanosta-1,7,24-trien-26-oic acid C30H44O3 452.329045 NA MeJP NA NA +MJ066137 3-Oxolanosta-1,8,24-trien-26-oic acid; 24Z-form C30H44O3 452.329045 NA MeJP NA NA +MJ066138 3-Oxolanosta-7,24-dien-26,23-olide C30H44O3 452.329045 NA MeJP NA NA +MJ066139 3-Oxotirucalla-1,8,24-trien-26-oic acid C30H44O3 452.329045 NA MeJP NA NA +MJ066140 Colubrinic acid; 3-Deoxy, 1,3-didehydro C30H44O3 452.329045 NA MeJP NA NA +MJ066141 Dysonone B; 29-Deoxy, 1,2-didehydro C30H44O3 452.329045 NA MeJP NA NA +MJ066142 Flindissol; 3-Ketone, 21-oxo C30H44O3 452.329045 NA MeJP NA NA +MJ066143 Kadsulactone C30H44O3 452.329045 NA MeJP NA NA +MJ066144 Lanosta-7,9(11),24-triene-3,26-diol, 3-Ketone, 26-carboxylic acid C30H44O3 452.329045 NA MeJP NA NA +MJ066145 Neokadsuranic acid A C30H44O3 452.329045 NA MeJP NA NA +MJ066146 Neokadsuranic acid C; 13-Deoxy, 13,18-didehydro C30H44O3 452.329045 NA MeJP NA NA +MJ066147 Nimolinone C30H44O3 452.329045 NA MeJP NA NA +MJ066148 Schisanlactone D C30H44O3 452.329045 NA MeJP NA NA +MJ066149 Agel 452 C23H44N6O3 452.347489 NA MeJP NA NA +HMDB00483 5b-Cholestane-3a,7a,12a,23S,25-pentol C27H48O5 452.35016 http://www.hmdb.ca/metabolites/HMDB00483 HMDB NA NA +HMDB00513 5b-Cholestane-3a,7a,12a,23R,25-pentol C27H48O5 452.35016 http://www.hmdb.ca/metabolites/HMDB00513 HMDB NA NA +HMDB00556 5b-Cholestane-3a,7a,12a,24,25-pentol C27H48O5 452.35016 http://www.hmdb.ca/metabolites/HMDB00556 HMDB NA NA +HMDB00558 5a-Cholestane-3a,7a,12a,23,25-pentol C27H48O5 452.35016 http://www.hmdb.ca/metabolites/HMDB00558 HMDB NA NA +HMDB02180 5b-Cholestane-3a,7a,12a,25,26-pentol C27H48O5 452.35016 http://www.hmdb.ca/metabolites/HMDB02180 HMDB NA NA +HMDB02208 Cholestane-3,7,12,24,25-pentol C27H48O5 452.35016 http://www.hmdb.ca/metabolites/HMDB02208 HMDB NA NA +HMDB00483 5b-Cholestane-3a,7a,12a,23S,25-pentol C27H48O5 452.35016 HMDB00483 PFEM_hmdb_metabocards_official NA NA +HMDB00513 5b-Cholestane-3a,7a,12a,23R,25-pentol C27H48O5 452.35016 HMDB00513 PFEM_hmdb_metabocards_official NA NA +HMDB00556 5b-Cholestane-3a,7a,12a,24,25-pentol C27H48O5 452.35016 HMDB00556 PFEM_hmdb_metabocards_official NA NA +HMDB00558 5a-Cholestane-3a,7a,12a,23,25-pentol C27H48O5 452.35016 HMDB00558 PFEM_hmdb_metabocards_official NA NA +HMDB02180 5b-Cholestane-3a,7a,12a,25,26-pentol C27H48O5 452.35016 HMDB02180 PFEM_hmdb_metabocards_official NA NA +HMDB02208 Cholestane-3,7,12,24,25-pentol C27H48O5 452.35016 HMDB02208 PFEM_hmdb_metabocards_official NA NA +MJ066150 Cholestane-2,3,7,12,26-pentol C27H48O5 452.350174 NA MeJP NA NA +MJ066151 Cholestane-3,5,6,15,25-pentol C27H48O5 452.350174 NA MeJP NA NA +MJ066152 Cholestane-3,5,6,15,26-pentol C27H48O5 452.350174 NA MeJP NA NA +MJ066153 Cholestane-3,6,15,16,26-pentol C27H48O5 452.350174 NA MeJP NA NA +MJ066154 Cholestane-3,6,16,23,24-pentol C27H48O5 452.350174 NA MeJP NA NA +MJ066155 Cholestane-3,6,7,25,26-pentol C27H48O5 452.350174 NA MeJP NA NA +MJ066156 Cholestane-3,6,8,15,24-pentol C27H48O5 452.350174 NA MeJP NA NA +MJ066157 Cholestane-3,7,12,23,25-pentol C27H48O5 452.350174 NA MeJP NA NA +MJ066158 Cholestane-3,7,12,24,25-pentol C27H48O5 452.350174 NA MeJP NA NA +MJ066159 Cholestane-3,7,12,24,26-pentol C27H48O5 452.350174 NA MeJP NA NA +MJ066160 Cholestane-3,7,12,25,26-pentol C27H48O5 452.350174 NA MeJP NA NA +MJ066161 Cholestane-3,7,12,26,27-pentol C27H48O5 452.350174 NA MeJP NA NA +HMDB00513 5b-Cholestane-3a,7a,12a,23R,25-pentol C27H48O5 452.350189 NA HMDB2010 NA NA +HMDB00556 5b-Cholestane-3a,7a,12a,24,25-pentol C27H48O5 452.350189 NA HMDB2010 NA NA +HMDB00558 5a-Cholestane-3a,7a,12a,23,25-pentol C27H48O5 452.350189 NA HMDB2010 NA NA +HMDB02180 5b-Cholestane-3a,7a,12a,25,26-pentol C27H48O5 452.350189 NA HMDB2010 NA NA +HMDB02208 Cholestane-3,7,12,24,25-pentol C27H48O5 452.350189 NA HMDB2010 NA NA +C16890 5-alpha-Cyprinol C27H48O5 452.3502 NA KEGG NA NA +C03313 Phylloquinol C31H48O2 452.3654 NA KEGG NA NA +MJ066162 24-Methylenelanosta-7,9(11)-diene-3,15-diol, 3-Ketone C31H48O2 452.36543 NA MeJP NA NA +MJ066163 3-Methoxy-2,12-oleanadien-1-one C31H48O2 452.36543 NA MeJP NA NA +MJ066164 3,5-Dioxooctacosanoic acid C28H52O4 452.38656 NA MeJP NA NA +MJ066165 3-Hydroxyoxanonacosane-2,25-dione C28H52O4 452.38656 NA MeJP NA NA +MJ066166 24,24-Dimethyllanosta-9(11),25-dien-3-ol; 3?-form, 3-Ketone C32H52O 452.401816 NA MeJP NA NA +MJ066167 24,25-Dimethyllanosta-9(11),23-dien-3-ol, 3-Ketone C32H52O 452.401816 NA MeJP NA NA +MJ066168 24-Ethylcycloart-25-en-3-ol, 3-Ketone C32H52O 452.401816 NA MeJP NA NA +MJ066169 24-Ethylidenelanost-8-en-3-ol, 3-Ketone C32H52O 452.401816 NA MeJP NA NA +MJ066170 Cyclobalanone C32H52O 452.401816 NA MeJP NA NA +MJ066171 Wallenone C32H52O 452.401816 NA MeJP NA NA +MJ066172 Haliclamine B; 14,15-Dihydro C31H52N2 452.413049 NA MeJP NA NA +MJ066173 2-Hydroxy-21-octacosenoic acid, Me ether C29H56O3 452.422945 NA MeJP NA NA +MJ066174 Anapharenasoic acid C29H56O3 452.422945 NA MeJP NA NA +MJ066175 C33 Botryococcene C33H56 452.438201 NA MeJP NA NA +MJ066176 Budmunchiamine A C27H56N4O 452.445412 NA MeJP NA NA +MJ066177 Budmunchiamine L2 C27H56N4O 452.445412 NA MeJP NA NA +MJ066178 1-Octacosanol; Ac C30H60O2 452.459331 NA MeJP NA NA +MJ066179 1-Tetradecanol; Hexadecanoyl C30H60O2 452.459331 NA MeJP NA NA +MJ066180 11-Hydroxy-9-triacontanone C30H60O2 452.459331 NA MeJP NA NA +MJ066181 2,4,6-Trimethylheptacosanoic acid C30H60O2 452.459331 NA MeJP NA NA +MJ066182 23-Hydroxy-2-triacontanone C30H60O2 452.459331 NA MeJP NA NA +MJ066183 23-Hydroxy-6-triacontanone C30H60O2 452.459331 NA MeJP NA NA +MJ066184 27-Hydroxy-6-triacontanone C30H60O2 452.459331 NA MeJP NA NA +MJ066185 28-Methylnonacosanoic acid C30H60O2 452.459331 NA MeJP NA NA +MJ066186 3-Hydroxy-11-triacontanone C30H60O2 452.459331 NA MeJP NA NA +MJ066187 5-Hydroxy-9-triacontanone C30H60O2 452.459331 NA MeJP NA NA +MJ066188 7-Hydroxy-4-triacontanone C30H60O2 452.459331 NA MeJP NA NA +MJ066189 7-Hydroxy-5-triacontanone C30H60O2 452.459331 NA MeJP NA NA +MJ066190 Triacontanoic acid C30H60O2 452.459331 NA MeJP NA NA +C08378 Hentriacontan-1-ol C31H64O 452.4957 NA KEGG NA NA +MJ066191 1-Hentriacontanol C31H64O 452.495716 NA MeJP NA NA +MJ066192 1-Methoxy-18-methylnonacosane C31H64O 452.495716 NA MeJP NA NA +MJ066193 1-Methoxy-2,26-dimethyloctacosane C31H64O 452.495716 NA MeJP NA NA +MJ066194 1-Methoxy-26-methylnonacosane C31H64O 452.495716 NA MeJP NA NA +MJ066195 10-Hentriacontanol C31H64O 452.495716 NA MeJP NA NA +MJ066196 11-Hentriacontanol C31H64O 452.495716 NA MeJP NA NA +MJ066197 12-Hentriacontanol C31H64O 452.495716 NA MeJP NA NA +MJ066198 15-Hentriacontanol C31H64O 452.495716 NA MeJP NA NA +MJ066199 16-Hentriacontanol C31H64O 452.495716 NA MeJP NA NA +MJ066200 29-Methyl-1-triacontanol C31H64O 452.495716 NA MeJP NA NA +MJ066201 4-Hentriacontanol C31H64O 452.495716 NA MeJP NA NA +MJ066202 6-Hentriacontanol C31H64O 452.495716 NA MeJP NA NA +MJ066203 7-Hentriacontanol C31H64O 452.495716 NA MeJP NA NA +MJ066204 8-Hentriacontanol C31H64O 452.495716 NA MeJP NA NA +MJ066205 9-Hentriacontanol C31H64O 452.495716 NA MeJP NA NA +MJ066206 2,6-Dibromo-4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenol C16H13Br2N3O3 452.932366 NA MeJP NA NA +MJ066207 Keronopsin B1; O-Sulfate C18H16BrNO6S 452.98817 NA MeJP NA NA +MJ066208 Palmatine chloroform; 2,3-Di-O-de-Me, 2,3-methylene ether C21H18Cl3NO4 453.030141 NA MeJP NA NA +C12278 Copper gluconate CaH2O2 453.0306 NA KEGG NA NA +C12279 Transferred to D03613 CaH2O2 453.0306 NA KEGG NA NA +MJ066209 Cefivitril C15H15N7O4S3 453.034764 NA MeJP NA NA +MJ066210 Hydroxymethyl glucosinolate; Benzoyl C15H19NO11S2 453.039951 NA MeJP NA NA +MJ066211 Cefdinir; O-Carboxymethyl C16H15N5O7S2 453.041289 NA MeJP NA NA +C06881 Cefixime C16H15N5O7S2 453.0413 NA KEGG NA NA +C08410 Glucoerysolin C12H23NO11S3 453.0433 NA KEGG NA NA +MJ066212 4-(Methylsulfonyl)butyl glucosinolate C12H23NO11S3 453.043322 NA MeJP NA NA +MJ066213 Cryptowoline, Iodide C19H20INO4 453.043701 NA MeJP NA NA +C11748 Flucloxacillin C19H17ClFN3O5S 453.0561 NA KEGG NA NA +MJ066214 Flucloxacillin C19H17ClFN3O5S 453.056147 NA MeJP NA NA +MJ066215 Cefcapene C17H19N5O6S2 453.077674 NA MeJP NA NA +MJ066216 Antibiotic PB 5266B C13H19N5O11S 453.080177 NA MeJP NA NA +MJ066217 Thenium(1+); 4-Chlorobenzenesulfonate C21H24ClNO4S2 453.083527 NA MeJP NA NA +MJ066218 Seongomycin C23H19NO7S 453.088222 NA MeJP NA NA +PJ001735 CCND C14H23N5O8S2 453.0988 NA PeJP NA NA +MJ066219 Bactobolin B C17H25Cl2N3O7 453.106955 NA MeJP NA NA +MJ066220 Antibiotic K 252b C26H19N3O5 453.13247 NA MeJP NA NA +PJ001736 SCNM C15H27N5O7S2 453.1352 NA PeJP NA NA +MJ066221 Maremycin E C23H23N3O5S 453.135841 NA MeJP NA NA +MJ066222 Propampicillin C23H23N3O5S 453.135841 NA MeJP NA NA +MJ066223 Aureonuclemycin; O9-Me, Me ester C18H23N5O9 453.149577 NA MeJP NA NA +MJ066224 Sangivamycic acid; Nitrile, 5'-O-?-D-glucopyranoside C18H23N5O9 453.149577 NA MeJP NA NA +PJ001737 GSSTC C15H27N5O9S 453.153 NA PeJP NA NA +MJ066225 6-Chloro-9-[[2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethoxy]methyl]-9H-purin-2-amine C23H24ClN5O3 453.156767 NA MeJP NA NA +MJ066226 [[4-[3-[(4-Fluorophenyl)hydroxymethyl]-4-hydroxyphenoxy]-3,5-dimethylphenyl]amino]oxoacetic acid, Et ester C25H24FNO6 453.158765 NA MeJP NA NA +MJ066227 Azotomycin C17H23N7O8 453.16081 NA MeJP NA NA +PJ001738 GCQF C19H27N5O6S 453.1682 NA PeJP NA NA +MJ066228 Staurosporine; 4'-De(methylamino), 4'-hydroxy C27H23N3O4 453.168856 NA MeJP NA NA +PJ001739 SSSSS C15H27N5O11 453.1707 NA PeJP NA NA +PJ001740 TCCK C16H31N5O6S2 453.1716 NA PeJP NA NA +PJ001741 GSQY C19H27N5O8 453.186 NA PeJP NA NA +MJ066229 Physarochrome A C24H27N3O6 453.189985 NA MeJP NA NA +PJ001742 SPNH C18H27N7O7 453.1972 NA PeJP NA NA +MJ066230 Cyanocycline D C23H27N5O5 453.201218 NA MeJP NA NA +MJ066231 N-[[[3-(2-Aminoethyl)-1H-indol-5-yl]oxy]acetyl]glycyltyrosinamide C23H27N5O5 453.201218 NA MeJP NA NA +MJ066232 N-[[[3-(2-Aminoethyl)-1H-indol-5-yl]oxy]acetyl]tyrosylglycinamide C23H27N5O5 453.201218 NA MeJP NA NA +PJ001743 GCKF C20H31N5O5S 453.2046 NA PeJP NA NA +MJ066233 4-[3-[[1-(Diphenylmethyl)-3-azetidinyl]oxy]-2-hydroxypropoxy]-1H-indole-2-carbonitrile C28H27N3O3 453.205241 NA MeJP NA NA +MJ066234 Fosfazinomycin A C15H32N7O7P 453.210082 NA MeJP NA NA +MJ066235 Lasubine I; 9a-Epimer, O3'-de-Me, 2-O-(4-hydroxy-3-methoxycinnamoyl) C26H31NO6 453.215137 NA MeJP NA NA +MJ066236 Vertine, 12,13-Dihydro, 13?-hydroxy C26H31NO6 453.215137 NA MeJP NA NA +MJ066237 Vertine, 5-Epimer, 12,13-dihydro, 13S-hydroxy C26H31NO6 453.215137 NA MeJP NA NA +MJ066238 1-[2-Chloro-4-(1-pyrrolidinyl)benzoyl]-2,3,4,5-tetrahydro-N-(1-methylethyl)-1H-1-benzazepine-5-acetamide C26H32ClN3O2 453.218304 NA MeJP NA NA +PJ001744 GSKY C20H31N5O7 453.2224 NA PeJP NA NA +MJ066239 1-[N-[3-(Benzoylamino)-2-hydroxy-4-phenylbutyl]alanyl]proline C25H31N3O5 453.226371 NA MeJP NA NA +MJ066240 Moiramide B C25H31N3O5 453.226371 NA MeJP NA NA +MJ066241 Trioxifene C30H31NO3 453.230393 NA MeJP NA NA +MJ066242 4-Amino-4-deoxy-?-D-rhamnopyranosyl-(1?2)-4-amino-4-deoxy-?-D-rhamnopyranosyl-(1?2)-4-amino-4-deoxy-D-rhamnose C18H35N3O10 453.232244 NA MeJP NA NA +MJ066243 4-Amino-4-deoxy-?-D-rhamnopyranosyl-(1?2)-4-amino-4-deoxy-?-D-rhamnopyranosyl-(1?3)-4-amino-4-deoxy-D-rhamnose C18H35N3O10 453.232244 NA MeJP NA NA +PJ001745 GLQH C19H31N7O6 453.2336 NA PeJP NA NA +MJ066244 17-Methylparsonsianidine; 16-Deoxy, stereoisomer C23H35NO8 453.236267 NA MeJP NA NA +MJ066245 Lasiocarpine; O3'-Ac C23H35NO8 453.236267 NA MeJP NA NA +MJ066246 Seldomycin 3 C17H35N5O9 453.243477 NA MeJP NA NA +PJ001746 AAHR C18H31N9O5 453.2448 NA PeJP NA NA +2660 synthetic fr,of human beta-CN (140-143) ACE inhibitor QPIP 453.246 NA Inhouse_peptide NA peptide +MJ066247 Etorphine; 3-Ac C27H35NO5 453.251523 NA MeJP NA NA +MJ066248 Lythrancine I C27H35NO5 453.251523 NA MeJP NA NA +MJ066249 Terpendole I C27H35NO5 453.251523 NA MeJP NA NA +PJ001747 PPLQ C21H35N5O6 453.2588 NA PeJP NA NA +PJ001748 GLKH C20H35N7O5 453.27 NA PeJP NA NA +MJ066250 Delcosine C24H39NO7 453.272652 NA MeJP NA NA +MJ066251 Delectinine C24H39NO7 453.272652 NA MeJP NA NA +MJ066252 Delphatine; N-De-Et C24H39NO7 453.272652 NA MeJP NA NA +MJ066253 Delsoline; O16-De-Me C24H39NO7 453.272652 NA MeJP NA NA +MJ066254 Delsoline; O18-De-Me C24H39NO7 453.272652 NA MeJP NA NA +MJ066255 Delsoline; O6-De-Me C24H39NO7 453.272652 NA MeJP NA NA +MJ066256 Deltatsine; O18-De-Me C24H39NO7 453.272652 NA MeJP NA NA +MJ066257 Delterine; O6-De-Me C24H39NO7 453.272652 NA MeJP NA NA +MJ066258 Neoline; 10-Hydroxy C24H39NO7 453.272652 NA MeJP NA NA +MJ066259 Pubescenine; 6-Epimer, de-Ac C24H39NO7 453.272652 NA MeJP NA NA +MJ066260 Senbusine C C24H39NO7 453.272652 NA MeJP NA NA +MJ066261 Vaginatine C24H39NO7 453.272652 NA MeJP NA NA +C08676 Delcosine C24H39NO7 453.2727 NA KEGG NA NA +2814 PEP inhibitor KPPI 453.282 NA Inhouse_peptide NA peptide +EUR580 LysoPE(16:0) NA 453.285525 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR580 LysoPE(16:0) [M-H]- 453.285525 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR580 LysoPE(16:0) NA 453.285525 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR580 LysoPE(16:0) [M-H]- 453.285525 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR580 LysoPE(16:0) NA 453.285525 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR580 LysoPE(16:0) [M-H]- 453.285525 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR580 LysoPE(16:0) NA 453.285525 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR580 LysoPE(16:0) NA 453.285525 identifiés dans sérum NuGO HMDB NA NA +EUR580 LysoPE(16:0) NA 453.285525 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR580 LysoPE(16:0) [M-H]- 453.285525 identifies dans serum NuGO Inhousejuil11 NA NA +EUR580 LysoPE(16:0) NA 453.285525 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR580 LysoPE(16:0) NA 453.285525 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR676 Lyso PC 14:0 [M-H-CH3]- C22H46NO7P 453.285542 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR824 Lyso PE 16:0 monoisotopic mass C21H44NO7P 453.285542 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR676 Lyso PC 14:0 [M-H-CH3]- C22H46NO7P 453.285542 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR824 Lyso PE 16:0 monoisotopic mass C21H44NO7P 453.285542 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR676 Lyso PC 14:0 [M-H-CH3]- C22H46NO7P 453.285542 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR824 Lyso PE 16:0 monoisotopic mass C21H44NO7P 453.285542 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR676 Lyso PC 14:0 [M-H-CH3]- C22H46NO7P 453.285542 masses lipides attendues Inhousejuil11 NA NA +EUR824 Lyso PE 16:0 monoisotopic mass C21H44NO7P 453.285542 masses lipides attendues Inhousejuil11 NA NA +HMDB11473 LysoPE(0:0/16:0) C21H44NO7P 453.285553 NA HMDB2010 NA NA +HMDB11503 LysoPE(16:0/0:0) C21H44NO7P 453.285553 NA HMDB2010 NA NA +EUR579 LysoPE(16:0) NA 453.285575 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR579 LysoPE(16:0) [M-H]+ 453.285575 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR579 LysoPE(16:0) NA 453.285575 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR579 LysoPE(16:0) [M-H]+ 453.285575 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR579 LysoPE(16:0) NA 453.285575 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR579 LysoPE(16:0) [M-H]+ 453.285575 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR579 LysoPE(16:0) NA 453.285575 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR579 LysoPE(16:0) NA 453.285575 identifiés dans sérum NuGO HMDB NA NA +EUR579 LysoPE(16:0) NA 453.285575 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR579 LysoPE(16:0) [M-H]+ 453.285575 identifies dans serum NuGO Inhousejuil11 NA NA +EUR579 LysoPE(16:0) NA 453.285575 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR579 LysoPE(16:0) NA 453.285575 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +MJ066262 Antibiotic BE 67251 C28H39NO4 453.287908 NA MeJP NA NA +MJ066263 Sambutoxin C28H39NO4 453.287908 NA MeJP NA NA +MJ066264 Terpendole F C28H39NO4 453.287908 NA MeJP NA NA +PJ001749 PPLK C22H39N5O5 453.2951 NA PeJP NA NA +MJ066265 N-[2,6-Bis(1-methylethyl)phenyl]-N'-[[2-[4-(dimethylamino)phenyl]-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]urea C27H39N3O3 453.299142 NA MeJP NA NA +C11994 YC-17 C25H43NO6 453.309 NA KEGG NA NA +MJ066266 Antibiotic PA 133A C25H43NO6 453.309038 NA MeJP NA NA +MJ066267 Methymycin; 10-Deoxy C25H43NO6 453.309038 NA MeJP NA NA +MJ066268 Dofamium(1+); Chloride C25H44ClN3O2 453.312205 NA MeJP NA NA +MJ066269 Panclicins; Panclicin A C26H47NO5 453.345423 NA MeJP NA NA +MJ066270 Panclicins; Panclicin B C26H47NO5 453.345423 NA MeJP NA NA +MJ066271 Agelasimine A C27H43N5O 453.346761 NA MeJP NA NA +MJ066272 15-Azasterol; Ac C30H47NO2 453.360679 NA MeJP NA NA +MJ066273 Mycalazoles; Mycalazole 1, 7',8',10',11'-Tetrahydro C30H47NO2 453.360679 NA MeJP NA NA +MJ066274 Solapalmitine C28H59N3O 453.465813 NA MeJP NA NA +MJ066275 1,1,3,3-Tetrabromo-2-nonanone C9H14Br4O 453.777815 NA MeJP NA NA +7876 peptide derived from bovine b-casein (169-176) KVLPVPQK 453.785 MH2+ Inhouse_peptide NA peptide +MJ066276 2-(2,3,6-Tribromo-4,5-dihydroxybenzyl)cyclohexanone C13H13Br3O3 453.841482 NA MeJP NA NA +MJ066277 Rhodomelol C13H12Br2O8 453.889892 NA MeJP NA NA +MJ066278 Dysamide A; 1',1'',3,6-Tetradehydro(3E,6Z-) C14H16Cl6N2O2 453.934294 NA MeJP NA NA +MJ066279 Dysamide A; 1',1'',3,6-Tetradehydro(Z,Z-) C14H16Cl6N2O2 453.934294 NA MeJP NA NA +C11591 DIDS C16H10N2O6S4 453.9422 NA KEGG NA NA +MJ066280 Nortopsentin A C19H12Br2N4 453.942871 NA MeJP NA NA +MJ066281 2,10-Dibromo-3-chloro-7(14)-chamigren-9-ol, Ac C17H25Br2ClO2 453.990983 NA MeJP NA NA +MJ066282 3,10-Dibromo-2-chloro-7(14)-chamigren-9-ol; Ac C17H25Br2ClO2 453.990983 NA MeJP NA NA +C13702 4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid C17H14N2O7S3 453.9963 NA KEGG NA NA +MJ066283 5-Amino-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid; N-Ac C17H14N2O7S3 453.996312 NA MeJP NA NA +MJ066284 Sitaxentan C18H15ClN2O6S2 454.006005 NA MeJP NA NA +MJ066285 [1,1':3',1''-Terphenyl]-2,2',2'',4,4',4'',6,6',6''-nonol; 2-O-Sulfate C18H14O12S 454.020596 NA MeJP NA NA +C06880 Cefazolin C14H14N8O4S3 454.03 NA KEGG NA NA +MJ066286 Cefazolin C14H14N8O4S3 454.030013 NA MeJP NA NA +MJ066287 Fenticonazole C24H20Cl2N2OS 454.067339 NA MeJP NA NA +MJ066288 Ploiarixanthone C26H14O8 454.068867 NA MeJP NA NA +HMDB00797 SAICAR C13H19N4O12P 454.0737 http://www.hmdb.ca/metabolites/HMDB00797 HMDB NA NA +HMDB06274 (S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate C13H19N4O12P 454.0737 http://www.hmdb.ca/metabolites/HMDB06274 HMDB NA NA +C04823 1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole C13H19N4O12P 454.0737 NA KEGG NA NA +HMDB00797 SAICAR C13H19N4O12P 454.0737 HMDB00797 PFEM_hmdb_metabocards_official NA NA +HMDB06274 (S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate C13H19N4O12P 454.0737 HMDB06274 PFEM_hmdb_metabocards_official NA NA +HMDB00797 SAICAR C13H19N4O12P 454.0737 NA HMDB2010 NA NA +MJ066289 1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole C13H19N4O12P 454.073708 NA MeJP NA NA +MJ066290 N-(5-Amino-1-?-D-ribofuranosylimidazole-4-carbonyl)-L-aspartic acid 5'-phosphate C13H19N4O12P 454.073708 NA MeJP NA NA +MetaCyc03612 5'-phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole [(S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate;1-(5-phosphoribosyl)-4-(N-succino-carboxamide)-5-aminoimidazole;5'-P-ribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;5'-p-Ribosyl-4-(N-succinocarboxamide)-5-amino imidazole;1-(5'-phosphoribosyl)-4-(N-succino-carboxamide)-5-aminoimidazole;SAICAR;] C13H19N4O12P1 454.073709 NA metacyc NA NA +MJ066291 Algarobin C19H18O13 454.07474 NA MeJP NA NA +PJ001750 CCDD C14H22N4O9S2 454.0828 NA PeJP NA NA +C12394 Kinamycin D C22H18N2O9 454.1012 NA KEGG NA NA +MJ066292 Kinamycin F; 2,4-Di-Ac C22H18N2O9 454.10123 NA MeJP NA NA +MJ066293 1,2,4-Benzenetriol; 2-Me ether, 1-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C20H22O12 454.111126 NA MeJP NA NA +MJ066294 1,2,4-Benzenetriol; 2-Me ether, 4-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C20H22O12 454.111126 NA MeJP NA NA +MJ066295 1,3,5-Benzenetriol; O-(6-O-3,4,5-Trihydroxybenzoyl-?-D-glucopyranoside), mono-Me ether C20H22O12 454.111126 NA MeJP NA NA +MJ066296 3-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one; 1'-O-(4-Hydroxy-3-methoxybenzoyl), 3-O-?-D-glucopyranoside C20H22O12 454.111126 NA MeJP NA NA +PJ001751 SCDM C15H26N4O8S2 454.1192 NA PeJP NA NA +MJ066297 Carfecillin C23H22N2O6S 454.119857 NA MeJP NA NA +C11752 Carfecillin C23H22N2O6S 454.1199 NA KEGG NA NA +MJ066298 1,10,12-Trihydroxy-8-methyl-6H-benzo[d]naphtho-[1,2-b]-pyran-6-one; 1-O-?-L-Rhamnopyranoside C24H22O9 454.126382 NA MeJP NA NA +MJ066299 1,10,12-Trihydroxy-8-methyl-6H-benzo[d]naphtho-[1,2-b]-pyran-6-one; 12-O-?-L-Rhamnopyranoside C24H22O9 454.126382 NA MeJP NA NA +MJ066300 Aflavarin C24H22O9 454.126382 NA MeJP NA NA +MJ066301 Didymocalyxin A C24H22O9 454.126382 NA MeJP NA NA +MJ066302 Dihydro-5-(1-iodo-3,6,9,12,15-octadecapentaenyl)-2(3H)-furanone C22H31IO2 454.136873 NA MeJP NA NA +MJ066303 Paucidactine A; 21-Deoxy C23H22N2O8 454.137615 NA MeJP NA NA +PJ001752 ACMM C16H30N4O5S3 454.1379 NA PeJP NA NA +C09417 Eupachlorin acetate C22H27ClO8 454.1394 NA KEGG NA NA +MJ066304 14-Chloro-2,5,8,10-tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 8-Angeloyl, 2-Ac C22H27ClO8 454.139445 NA MeJP NA NA +MJ066305 14-Chloro-2,8,10-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(4-Hydroxy-2-methyl-2Z-butenoyl), 2-Ac C22H27ClO8 454.139445 NA MeJP NA NA +MJ066306 15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(4-Acetoxy-2-methyl-2E-butenoyl) C22H27ClO8 454.139445 NA MeJP NA NA +MJ066307 Sirodesmin A; Monosulfide homologue, 1-epimer C20H26N2O8S 454.140986 NA MeJP NA NA +C10617 Sirodesmin H C20H26N2O8S 454.141 NA KEGG NA NA +C10260 Gnetin A C28H22O6 454.1416 NA KEGG NA NA +C10289 epsilon-Viniferin C28H22O6 454.1416 NA KEGG NA NA +MJ066308 3-(3,5-Dihydroxyphenyl)-5-[2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-2-(4-hydroxyphenyl)benzofuran C28H22O6 454.141638 NA MeJP NA NA +MJ066309 Ampelopsin A, 8-Deoxy C28H22O6 454.141638 NA MeJP NA NA +MJ066310 Ampelopsin D C28H22O6 454.141638 NA MeJP NA NA +MJ066311 Ampelopsin F C28H22O6 454.141638 NA MeJP NA NA +MJ066312 Bencianol C28H22O6 454.141638 NA MeJP NA NA +MJ066313 Biseselin C28H22O6 454.141638 NA MeJP NA NA +MJ066314 Cyphostemmin A C28H22O6 454.141638 NA MeJP NA NA +MJ066315 Gnetin A C28H22O6 454.141638 NA MeJP NA NA +MJ066316 Gnetin C C28H22O6 454.141638 NA MeJP NA NA +MJ066317 Marchantin C; 2'-Hydroxy, 7'-oxo C28H22O6 454.141638 NA MeJP NA NA +MJ066318 Pallidol C28H22O6 454.141638 NA MeJP NA NA +MJ066319 Parthenocissin A C28H22O6 454.141638 NA MeJP NA NA +MJ066320 Restrytisol C C28H22O6 454.141638 NA MeJP NA NA +MJ066321 ?-Viniferin C28H22O6 454.141638 NA MeJP NA NA +MetaCyc03613 ε-viniferin [] C28H22O6 454.141638 NA metacyc NA NA +MJ066322 Angelicain, 1''-O-?-D-Glucopyranoside C21H26O11 454.147511 NA MeJP NA NA +MJ066323 Secoeranthin; 1''-Hydroxy, 4'-O-?-D-glucopyranoside C21H26O11 454.147511 NA MeJP NA NA +MJ066324 Thaxtomin A; 4''-Hydroxy C22H22N4O7 454.148849 NA MeJP NA NA +PJ001753 GCEF C19H26N4O7S 454.1522 NA PeJP NA NA +MJ066325 2-Cyano-4-(3-furyl)-7-[[6-[3-(3-hydroxy-6,8-dioxabicyclo[3.2.1]octanyl)]-2-pyridyl]methoxy]naphthalene C27H22N2O5 454.152871 NA MeJP NA NA +PJ001754 SSMM C16H30N4O7S2 454.1556 NA PeJP NA NA +MJ066326 Melithiazoles; Melithiazole B, 11?,12,14,15-Tetrahydro, 15-methoxy C21H30N2O5S2 454.159613 NA MeJP NA NA +MJ066327 5,10-Methenyltetrahydrofolate C21H22N6O6 454.160082 NA MeJP NA NA +FL3FALNP0013 5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone;KB-2 C25H26O8 454.16276 133740-64-4 knapsack NA NA +FL3FFGNP0001 7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone C25H26O8 454.16276 137319-33-6 knapsack NA NA +MJ066328 15,16-Epoxy-1-oxo-2,13(16),14-clerodatriene-17,12:18,19-diolide, 6?-Tigloyloxy C25H26O8 454.162767 NA MeJP NA NA +MJ066329 2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1-Et ether, 1',4-dibenzoyl, 3-Ac C25H26O8 454.162767 NA MeJP NA NA +MJ066330 5,6-Dihydroxy-8-(3,4-dihydroxyphenyl)-2,2-dimethyl-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-one; 5'-Methoxy, tetra-Me ether C25H26O8 454.162767 NA MeJP NA NA +MJ066331 8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8-(4-Methoxybenzoyl), 11-Ac C25H26O8 454.162767 NA MeJP NA NA +MJ066332 Artonin E; 2''',3'''-Dihydro, 3'''-hydroxy C25H26O8 454.162767 NA MeJP NA NA +MJ066333 Cneorin Q C25H26O8 454.162767 NA MeJP NA NA +MJ066334 Epimedokoreanin C C25H26O8 454.162767 NA MeJP NA NA +MJ066335 Lupinisoflavone E; 2'-Hydroxy C25H26O8 454.162767 NA MeJP NA NA +MJ066336 Parabenzlactone, O-(3-Methylbutanoyl) C25H26O8 454.162767 NA MeJP NA NA +PJ001755 CFW C23H26N4O4S 454.1675 NA PeJP NA NA +C13426 I-123 BMIPP C22H35IO2 454.1693 NA KEGG NA NA +PJ001756 GSEY C19H26N4O9 454.17 NA PeJP NA NA +MJ066337 Teflutixol C23H26F4N2OS 454.170196 NA MeJP NA NA +C01937 Methotrexate C20H22N8O5 454.1713 NA KEGG NA NA +MJ066338 Methotrexate C20H22N8O5 454.171315 NA MeJP NA NA +MetaCyc03614 methotrexate [] C20H22N8O5 454.171316 NA metacyc NA NA +MJ066339 [[3,3'-[[2-[[(1-Methylethyl)amino]methyl]-1,3-propanediyl]diimino]bis[3-methyl-2-butanone]dioximato](3-)-N,N',N'',N''']oxotechnetium C17H34N5O3Tc 454.17338 NA MeJP NA NA +7900 peptide from bovine b-lactoglobulin WYS 454.174 antioxidative Inhouse_peptide NA peptide +MJ066340 Chanofruticosine methyl ester; 11,12-Methylenedioxy C24H26N2O7 454.174001 NA MeJP NA NA +MJ066341 Kopsijasmine, 11,12-Methylenedioxy, N4-oxide C24H26N2O7 454.174001 NA MeJP NA NA +MJ066342 Kopsinarine C24H26N2O7 454.174001 NA MeJP NA NA +MJ066343 1,6-Bis(4-hydroxybenzyl)-9,10-dihydro-2,4,7-phenanthrenetriol; 4-Me ether C29H26O5 454.178023 NA MeJP NA NA +MJ066344 9,10-Dihydro-2,4,7-trihydroxy-1,3-bis(4-hydroxybenzyl)phenanthrene; 4-Me ether C29H26O5 454.178023 NA MeJP NA NA +MJ066345 Marchantin C; 12-Hydroxy, 11-Me ether C29H26O5 454.178023 NA MeJP NA NA +MJ066346 Plagiochin D; 14-Hydroxy C29H26O5 454.178023 NA MeJP NA NA +MJ066347 Plagiochin D; 2-Hydroxy C29H26O5 454.178023 NA MeJP NA NA +PJ001757 SPDH C18H26N6O8 454.1812 NA PeJP NA NA +MJ066348 15,16-Epoxy-4,13,14,15,16-pentahydroxy-2-clerodene-17,12:18,1-diolide, 13-Epimer, 15,16-di-Me ether C22H30O10 454.183897 NA MeJP NA NA +MJ066349 15,16-Epoxy-4,13,14,15,16-pentahydroxy-2-clerodene-17,12:18,1-diolide, 15,16-Di-Me ether C22H30O10 454.183897 NA MeJP NA NA +MJ066350 Klaineanone; 6?,14?,15?-Trihydroxy, 6-Ac C22H30O10 454.183897 NA MeJP NA NA +PJ001758 SYW C23H26N4O6 454.1852 NA PeJP NA NA +PJ001759 AAMY C20H30N4O6S 454.1886 NA PeJP NA NA +MJ066351 Geijedimerine C28H26N2O4 454.189257 NA MeJP NA NA +MJ066352 Halcinonide C24H32ClFO5 454.19223 NA MeJP NA NA +PJ001760 GNQH C17H26N8O7 454.1925 NA PeJP NA NA +FL2FALNI0019 Leachianone D C26H30O7 454.19915 140614-59-1 knapsack NA NA +FL4DAENI0001 Diplacol 4'-methylether C26H30O7 454.19915 102818-90-6 knapsack NA NA +FL4DALNI0004 Kushenol I C26H30O7 454.19915 99119-69-4 knapsack NA NA +FL4DALNI0005 Kushenol N C26H30O7 454.19915 102490-65-3 knapsack NA NA +MJ066353 2',4',5,7-Tetrahydroxy-3',6-diprenylisoflavanone, 3-Hydroxy, 2'-Me ether C26H30O7 454.199153 NA MeJP NA NA +MJ066354 4',5,7-Trihydroxy-8-lavandulylflavanone, ?3''-Isomer, 5''-hydroxy, 2'-methoxy C26H30O7 454.199153 NA MeJP NA NA +MJ066355 Bicycloillicinone asarone acetal C26H30O7 454.199153 NA MeJP NA NA +MJ066356 Cneorin K; Me ether C26H30O7 454.199153 NA MeJP NA NA +MJ066357 Diplacol; 3'-Me ether C26H30O7 454.199153 NA MeJP NA NA +MJ066358 Kushenol I C26H30O7 454.199153 NA MeJP NA NA +MJ066359 Limonin; Deepoxy C26H30O7 454.199153 NA MeJP NA NA +MJ066360 Obacunol; 7-Ketone C26H30O7 454.199153 NA MeJP NA NA +MJ066361 Tajixanthone hydrate; 3'-Me ether C26H30O7 454.199153 NA MeJP NA NA +MJ066362 Walsuranolide C26H30O7 454.199153 NA MeJP NA NA +C08775 Obacunone C26H30O7 454.1992 NA KEGG NA NA +PJ001761 APMH C19H30N6O5S 454.1999 NA PeJP NA NA +MJ066363 3,14-Dihydroxycard-20(22)-enolide, 3-O-Sulfate C23H34O7S 454.202524 NA MeJP NA NA +PJ001762 ATTY C20H30N4O8 454.2064 NA PeJP NA NA +MJ066364 Vincamajine; 10-Methoxy, O-Ac, N4-oxide C25H30N2O6 454.210386 NA MeJP NA NA +C18127 beta-Funaltrexamine C25H30N2O6 454.2104 NA KEGG NA NA +MJ066365 [2-Ethyl-5,6,7,8-tetrahydro-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4(3H)-cycloheptimidazolylidene]acetic acid C26H26N6O2 454.211724 NA MeJP NA NA +MJ066366 Tectol; 3,3',4,4'-Tetrahydro C30H30O4 454.214409 NA MeJP NA NA +PJ001763 GLEH C19H30N6O7 454.2176 NA PeJP NA NA +MJ066367 1,5-Epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide, 6,9-Bis(2-methylpropanoyl) C23H34O9 454.220282 NA MeJP NA NA +MJ066368 1-Hydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 1-O-(6-O-Acetyl-?-D-glucopyranoside) C23H34O9 454.220282 NA MeJP NA NA +MJ066369 2,6,9,10-Tetrahydroxy-5-oxo-11(13)-germacren-12,8-olide, 6,9-Bis(2-methylpropanoyl) C23H34O9 454.220282 NA MeJP NA NA +MJ066370 3,9-Dihydroxy-7-illuden-1-one, 9-(2-O-Acetyl-?-D-glucopyranoside) C23H34O9 454.220282 NA MeJP NA NA +MJ066371 4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro, 4-O-(6-O-acetyl-?-D-glucopyranoside) C23H34O9 454.220282 NA MeJP NA NA +MJ066372 5,6,9,10-Tetrahydroxy-1-oxo-11(13)-germacren-12,8-olide, 5,9-Bis-(2-methylpropanoyl) C23H34O9 454.220282 NA MeJP NA NA +7548 ACE inhibitor IWH 454.221 antioxidative Inhouse_peptide NA peptide +8003 synthetic peptide LHW 454.221 antibacterial Inhouse_peptide NA peptide +8010 synthetic peptide LWH 454.221 antibacterial Inhouse_peptide NA peptide +PJ001764 AAFF C24H30N4O5 454.2216 NA PeJP NA NA +MJ066373 Viridic acid C24H30N4O5 454.22162 NA MeJP NA NA +C17440 Tetrahydrogeranylgeranyl diphosphate C20H40O7P2 454.2249 NA KEGG NA NA +MetaCyc03615 tetrahydrogeranylgeranyl-PP [tetrahydroGGPP;tetrahydrogeranylgeranyl pyrophosphate;tetrahydrogeranylgeranyl diphosphate;] C20H40O7P2 454.224927 NA metacyc NA NA +MJ066374 Octimibate C29H30N2O3 454.225642 NA MeJP NA NA +MJ066375 Lidanserin C26H31FN2O4 454.226785 NA MeJP NA NA +MJ066376 Ribostamycin C17H34N4O10 454.227493 NA MeJP NA NA +MJ066377 Seldomycin 1 C17H34N4O10 454.227493 NA MeJP NA NA +MJ066378 Xylostacin C17H34N4O10 454.227493 NA MeJP NA NA +C01759 Ribostamycin C17H34N4O10 454.2275 NA KEGG NA NA +C17584 Xylostasin C17H34N4O10 454.2275 NA KEGG NA NA +PJ001765 GNKH C18H30N8O6 454.2289 NA PeJP NA NA +MJ066379 Teoprolol C23H30N6O4 454.232853 NA MeJP NA NA +PJ001766 LHW C23H30N6O4 454.2329 NA PeJP NA NA +MJ066380 1,15-Dihydroxy-9,11(13)-chiloscyphadiene-8,12-dione; 15-Carboxylic acid, 1-O-(6,8-dimethyl-2,4,6-decatrienoyl)(2E,4E,6E,8?-) C27H34O6 454.235538 NA MeJP NA NA +MJ066381 Arisugacin E C27H34O6 454.235538 NA MeJP NA NA +MJ066382 Decinnamoyljolkinol B; 20-Hydroxy, 15-benzoyl C27H34O6 454.235538 NA MeJP NA NA +MJ066383 Scopadulcic acid A C27H34O6 454.235538 NA MeJP NA NA +MJ066384 Fuprazole C28H30N4O2 454.236876 NA MeJP NA NA +MJ066385 1'-[4-[1-(4-Fluorophenyl)-1H-indol-3-yl]butyl]spiro[isobenzofuran-1(3H),4'-piperidine] C30H31FN2O 454.242041 NA MeJP NA NA +PJ001767 PPLE C21H34N4O7 454.2428 NA PeJP NA NA +PJ001768 SVLH C20H34N6O6 454.254 NA PeJP NA NA +MJ066386 3,5,6,10,14,16-Grayanotoxanehexol, 6,14-Di-Ac C24H38O8 454.256668 NA MeJP NA NA +MJ066387 9,11,15,18-Tetrahydroxyprosta-5,13-dienoic acid, 11,18-Di-Ac C24H38O8 454.256668 NA MeJP NA NA +C09180 Rhodojaponin IV C24H38O8 454.2567 NA KEGG NA NA +MJ066388 Bitipazone C20H38N8S2 454.266084 NA MeJP NA NA +MJ066389 17,27-Dihydroxy-1-oxowitha-2,5,24-trienolide C28H38O5 454.271924 NA MeJP NA NA +MJ066390 2,3,22-Trihydroxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione; 22?-form, 7,8?-Dihydro C28H38O5 454.271924 NA MeJP NA NA +MJ066391 4,27-Dihydroxy-1-oxowitha-2,5,24-trienolide C28H38O5 454.271924 NA MeJP NA NA +MJ066392 5,17-Dihydroxy-1-oxowitha-2,6,24-trienolide C28H38O5 454.271924 NA MeJP NA NA +MJ066393 5,6-Epoxy-21-hydroxy-1-oxowitha-2,24-dienolide C28H38O5 454.271924 NA MeJP NA NA +MJ066394 6,7-Epoxy-17-hydroxy-1-oxowitha-4,24-dienolide C28H38O5 454.271924 NA MeJP NA NA +MJ066395 6,7-Epoxy-23-hydroxy-1-oxowitha-2,24-dienolide C28H38O5 454.271924 NA MeJP NA NA +MJ066396 6,7-Epoxy-5-hydroxy-1-oxowitha-2,24-dienolide C28H38O5 454.271924 NA MeJP NA NA +MJ066397 7,27-Dihydroxy-1-oxowitha-2,5,24-trienolide C28H38O5 454.271924 NA MeJP NA NA +MJ066398 Azadirone; 6?-Acetoxy, 1,2-dihydro, 7-O-de-Ac C28H38O5 454.271924 NA MeJP NA NA +MJ066399 Chisocheton compound F; 6-Deacetoxy, 23-oxo C28H38O5 454.271924 NA MeJP NA NA +MJ066400 Cystoseirachromene C28H38O5 454.271924 NA MeJP NA NA +MJ066401 Daturametelin C; Demethoxy, 5?,6?-epoxide C28H38O5 454.271924 NA MeJP NA NA +MJ066402 Daturilinol C28H38O5 454.271924 NA MeJP NA NA +MJ066403 Euglobal III C28H38O5 454.271924 NA MeJP NA NA +MJ066404 Euglobal IVb C28H38O5 454.271924 NA MeJP NA NA +MJ066405 Euglobal In 2 C28H38O5 454.271924 NA MeJP NA NA +MJ066406 Euglobal In1 C28H38O5 454.271924 NA MeJP NA NA +MJ066407 Euglobal V C28H38O5 454.271924 NA MeJP NA NA +MJ066408 Jaborosalactone A C28H38O5 454.271924 NA MeJP NA NA +MJ066409 Jaborosalactone B C28H38O5 454.271924 NA MeJP NA NA +MJ066410 Jaborosalactone L C28H38O5 454.271924 NA MeJP NA NA +MJ066411 Macrocarpal B; 10-Deoxy, 10,14-didehydro C28H38O5 454.271924 NA MeJP NA NA +MJ066412 Macrocarpal G C28H38O5 454.271924 NA MeJP NA NA +MJ066413 Macrocarpin D C28H38O5 454.271924 NA MeJP NA NA +MJ066414 Mzikonol; 3-Ketone C28H38O5 454.271924 NA MeJP NA NA +MJ066415 Regelone C28H38O5 454.271924 NA MeJP NA NA +MJ066416 Strongylophorine 5; 19-Carboxylic acid, Ac C28H38O5 454.271924 NA MeJP NA NA +MJ066417 Usneoidol E; 14-Deoxy, 13,14-didehydro C28H38O5 454.271924 NA MeJP NA NA +MJ066418 Usneoidol E; 6Z-Isomer, 14-deoxy, 13,14-didehydro C28H38O5 454.271924 NA MeJP NA NA +MJ066419 Usneoidone C28H38O5 454.271924 NA MeJP NA NA +MJ066420 Withacoagin C28H38O5 454.271924 NA MeJP NA NA +MJ066421 Withaferin A; 27-Deoxy C28H38O5 454.271924 NA MeJP NA NA +MJ066422 Withanolide G C28H38O5 454.271924 NA MeJP NA NA +MJ066423 Withanolide P C28H38O5 454.271924 NA MeJP NA NA +MJ066424 Verapamil C27H38N2O4 454.283157 NA MeJP NA NA +HMDB01850 Verapamil C27H38N2O4 454.28317 http://www.hmdb.ca/metabolites/HMDB01850 HMDB NA NA +HMDB01850 Verapamil C27H38N2O4 454.28317 HMDB01850 PFEM_hmdb_metabocards_official NA NA +HMDB01850 Verapamil C27H38N2O4 454.283173 NA HMDB2010 NA NA +C07188 Verapamil C27H38N2O4 454.2832 NA KEGG NA NA +MJ066425 3,13-Clerodadiene-15,16,17-triol, 17-O-?-Xylopyranoside C25H42O7 454.293053 NA MeJP NA NA +MJ066426 6,13-Epoxy-4,8,9,12-eunicellanetetrol, 9-Me ether, 4,12-di-Ac C25H42O7 454.293053 NA MeJP NA NA +MJ066427 8,9-Dioxo-8,9-seco-15-labdanoic acid, (2-Acetylglyceryl) ester C25H42O7 454.293053 NA MeJP NA NA +MJ066428 8,9-Dioxo-8,9-seco-15-labdanoic acid, (3-Acetylglyceryl) ester C25H42O7 454.293053 NA MeJP NA NA +MJ066429 Olimycin C25H42O7 454.293053 NA MeJP NA NA +CJneg0608 Cholic acid [(M-H)+(HCOOH)]- C25H41O7 454.293625 C18rt(min)=9.25 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0608 Cholic acid [(M-H)+(HCOOH)]- C25H41O7 454.293625 C18rt(min)=9.25 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ066430 Ezlopitant C31H38N2O 454.298413 NA MeJP NA NA +MJ066431 16-Hydroxy-3-oxofusida-1,17(20),24-trien-21-oic acid C29H42O4 454.308309 NA MeJP NA NA +MJ066432 2,3,13-Trihydroxy-24-nor-4(23),11-ursadien-28-oic acid, 28?13 Lactone C29H42O4 454.308309 NA MeJP NA NA +MJ066433 2,3-Dihydroxy-24-nor-1,3,5(10)-friedelatrien-29-oic acid C29H42O4 454.308309 NA MeJP NA NA +MJ066434 21-Hydroxypregn-4-ene-3,20-dione; Cyclopentanepropanoyl C29H42O4 454.308309 NA MeJP NA NA +MJ066435 23-Deoxyantheridiol C29H42O4 454.308309 NA MeJP NA NA +MJ066436 4-Methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid; 4?-form C29H42O4 454.308309 NA MeJP NA NA +MJ066437 Caloncobalactone; 21?-Hydroxy C29H42O4 454.308309 NA MeJP NA NA +MJ066438 Ceanothenic acid C29H42O4 454.308309 NA MeJP NA NA +MJ066439 Coenzyme Q; Coenzyme Q4 C29H42O4 454.308309 NA MeJP NA NA +MJ066440 Cystalgerone C29H42O4 454.308309 NA MeJP NA NA +MJ066441 Eupteleogenin C29H42O4 454.308309 NA MeJP NA NA +MJ066442 Pfaffic acid; 11-Oxo C29H42O4 454.308309 NA MeJP NA NA +MJ066443 Przewanoic acid B C29H42O4 454.308309 NA MeJP NA NA +MJ066444 Tripterygone C29H42O4 454.308309 NA MeJP NA NA +HMDB06710 Ubiquinone Q4 C29H42O4 454.308319 NA HMDB2010 NA NA +HMDB06710 Ubiquinone Q4 C29H42O4 454.30832 http://www.hmdb.ca/metabolites/HMDB06710 HMDB NA NA +HMDB06710 Ubiquinone Q4 C29H42O4 454.30832 HMDB06710 PFEM_hmdb_metabocards_official NA NA +MJ066445 Quindecamine C30H38N4 454.309647 NA MeJP NA NA +PJ001769 PLLL C23H42N4O5 454.3155 NA PeJP NA NA +HMDB02157 27-Norcholestanehexol C26H46O6 454.329437 NA HMDB2010 NA NA +MJ066446 14-Labdene-8,13-diol, 13-(6-Deoxy-?-L-idopyranoside) C26H46O6 454.329439 NA MeJP NA NA +HMDB02157 27-norcholestanehexol C26H46O6 454.32944 http://www.hmdb.ca/metabolites/HMDB02157 HMDB NA NA +HMDB02157 27-norcholestanehexol C26H46O6 454.32944 HMDB02157 PFEM_hmdb_metabocards_official NA NA +MJ066447 7-[5-(Decahydro-4a-hydroxy-1,2,5,5-tetramethyl-1-naphthalenyl)-3-methyl-2-pentenyl]-3,7-dihydro-2,3-dimethyl-6H-purin-6-one C27H42N4O2 454.330776 NA MeJP NA NA +MJ066448 1,3-Dioxo-24-friedelanal C30H46O3 454.344695 NA MeJP NA NA +MJ066449 12,15-Oleanadiene-3,28-diol, 28-Carboxylic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066450 12-Lupene-3,28-diol, 3-Ketone, 28-carboxylic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066451 12-Oleanene-3,22,24-triol, 3,22-Diketone C30H46O3 454.344695 NA MeJP NA NA +MJ066452 12-Oleanene-3,22,30-triol, 30-Carboxylic acid, 30?22 lactone C30H46O3 454.344695 NA MeJP NA NA +MJ066453 12-Ursene-3,30-diol; 3?-form, 30-Carboxylic acid, 3-ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066454 14,26-Epoxy-21-hydroxy-3-serratanone, 21-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066455 15,21-Dihydroxylanosta-7,9(11),24-trien-3-one; 15?-form C30H46O3 454.344695 NA MeJP NA NA +MJ066456 16,23:24,25-Diepoxy-13(17)-protosten-3-one C30H46O3 454.344695 NA MeJP NA NA +MJ066457 2-Oxo-3-friedelen-29-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066458 20,29-Epoxy-3,21-lupanedione C30H46O3 454.344695 NA MeJP NA NA +MJ066459 21-Oxo-3,4-seco-4(23),12-oleanadien-3-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066460 21-Oxo-3,4-seco-4(23),12-ursadien-3-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066461 22-Hydroxytirucalla-7,24-diene-3,23-dione C30H46O3 454.344695 NA MeJP NA NA +MJ066462 23-Hydroxy-3-oxo-20,24-dammaradien-26-al C30H46O3 454.344695 NA MeJP NA NA +MJ066463 24,25-Epoxylanosta-7,9(11)-diene-3,26-diol, 3-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066464 25,26-Epoxy-1,3-friedelanedione C30H46O3 454.344695 NA MeJP NA NA +MJ066465 26-Hydroxy-1,3-friedelanedione; 26-Aldehyde C30H46O3 454.344695 NA MeJP NA NA +MJ066466 28,30-Dihydroxy-3-friedelanone; 30-Carboxylic acid, 30?28 lactone C30H46O3 454.344695 NA MeJP NA NA +MJ066467 28-Hydroxy-12-oleanene-3,11-dione C30H46O3 454.344695 NA MeJP NA NA +MJ066468 28-Hydroxy-20(29)-lupene-3,7-dione C30H46O3 454.344695 NA MeJP NA NA +MJ066469 3,11-Dihydroxy-12-ursen-28-oic acid, 3,11-Diketone, 28-alcohol C30H46O3 454.344695 NA MeJP NA NA +MJ066470 3,13-Dihydroxy-11-oleanen-28-oic acid, 28?13 Lactone C30H46O3 454.344695 NA MeJP NA NA +MJ066471 3,13-Dihydroxy-11-ursen-28-oic acid, 28?13 Lactone C30H46O3 454.344695 NA MeJP NA NA +MJ066472 3,15-Dihydroxy-12-oleanen-28-oic acid, 28?15 Lactone C30H46O3 454.344695 NA MeJP NA NA +MJ066473 3,15-Dihydroxy-27-friedelanoic acid, 3-Ketone, 27?15 lactone C30H46O3 454.344695 NA MeJP NA NA +MJ066474 3,16-Dihydroxy-7,9(11)-fernadien-12-one C30H46O3 454.344695 NA MeJP NA NA +MJ066475 3,16-Dihydroxyeupha-7,24-dien-21-oic acid, (21?16)-Lactone C30H46O3 454.344695 NA MeJP NA NA +MJ066476 3,21-Dihydroxy-12-oleanen-28-oic acid, 28?21 Lactone C30H46O3 454.344695 NA MeJP NA NA +MJ066477 3,21-Dihydroxy-20(29)-lupen-28-oic acid, 28?21 Lactone C30H46O3 454.344695 NA MeJP NA NA +MJ066478 3,22-Dihydroxy-12-oleanen-29-oic acid, 29?22 Lactone C30H46O3 454.344695 NA MeJP NA NA +MJ066479 3,23-Dihydroxy-5,12-oleanadien-16-one C30H46O3 454.344695 NA MeJP NA NA +MJ066480 3,25-Epoxy-25-hydroxy-14-taraxeren-1-one C30H46O3 454.344695 NA MeJP NA NA +MJ066481 3,29-Dihydroxy-13,15,17(20),24-isomalabaricatetraen-12-one C30H46O3 454.344695 NA MeJP NA NA +MJ066482 3,7-Dihydroxy-8-fernen-11-one, 7-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066483 3-Hydroxy-11,13(18)-oleanadien-28-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066484 3-Hydroxy-11,13(18)-oleanadien-30-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066485 3-Hydroxy-11-oxolanosta-8,24-dien-26-al C30H46O3 454.344695 NA MeJP NA NA +MJ066486 3-Hydroxy-12,18-ursadien-28-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066487 3-Hydroxy-12,19(29)-ursadien-28-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066488 3-Hydroxy-12,19-ursadien-28-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066489 3-Hydroxy-12,20(30)-ursadien-28-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066490 3-Hydroxy-12,21-ursadien-28-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066491 3-Hydroxy-12-oleanen-27-oic acid; 3?-form, 3-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066492 3-Hydroxy-12-oleanen-29-oic acid; 3?-form, 3-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066493 3-Hydroxy-12-oleanen-30-oic acid, 3-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066494 3-Hydroxy-12-ursen-28-oic acid, 3-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066495 3-Hydroxy-16,17-secodammara-17(20),22,24-trien-16,18-olide C30H46O3 454.344695 NA MeJP NA NA +MJ066496 3-Hydroxy-18,20-ursadien-28-oic acid; 3?-form C30H46O3 454.344695 NA MeJP NA NA +MJ066497 3-Hydroxy-18-oleanen-28-oic acid, 3-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066498 3-Hydroxy-20(29)-lupen-28-oic acid, 3-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066499 3-Hydroxy-4,14-dimethylergosta-8,24(28)-diene-7,11-dione C30H46O3 454.344695 NA MeJP NA NA +MJ066500 3-Hydroxy-4,4,17-trimethylcholesta-8,14,24-trien-26-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066501 3-Hydroxy-5,12-oleanadien-28-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066502 3-Hydroxy-7,9(11)-multifloradien-29-oic acid; 3?-form C30H46O3 454.344695 NA MeJP NA NA +MJ066503 3-Hydroxy-7-bauren-28-oic acid, 3-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066504 3-Hydroxy-8-multifloren-29-oic acid, 3-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066505 3-Hydroxy-9(11),12-oleanadien-28-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066506 3-Hydroxy-9(11),12-oleanadien-30-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066507 3-Hydroxycycloartan-26,23-olide, 24,25-Didehydro C30H46O3 454.344695 NA MeJP NA NA +MJ066508 3-Hydroxylanost-8-en-26,22-olide, 3-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066509 3-Hydroxylanosta-5,24-dien-26,22-olide C30H46O3 454.344695 NA MeJP NA NA +MJ066510 3-Hydroxylanosta-7,24-dien-26,23-olide C30H46O3 454.344695 NA MeJP NA NA +MJ066511 3-Hydroxylanosta-7,9(11),24-trien-21-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066512 3-Hydroxylanosta-7,9(11),24-trien-26-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066513 3-Hydroxylanosta-8,24-dien-26-oic acid, 3-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066514 3-Hydroxylanosta-8,24-dien-30-oic acid, 3-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066515 3-Hydroxylanosta-9(11),24-dien-26,22-olide C30H46O3 454.344695 NA MeJP NA NA +MJ066516 3-Hydroxytirucalla-7,22,24-trien-26-oic acid; 3?-form C30H46O3 454.344695 NA MeJP NA NA +MJ066517 3-Hydroxytirucalla-7,24-dien-21-oic acid; 3?-form, 3-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066518 3-Hydroxytirucalla-8,24-dien-21-oic acid, 3-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066519 3-Hydroxytirucalla-8,24-dien-26-oic acid, 3-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066520 3-Oxo-12-oleanen-28-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066521 3-Oxo-19(21)-lupen-28-al; 28-Carboxylic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066522 3-Oxo-20(30)-ursen-28-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066523 3-Oxo-9(11)-lupen-28-al; 28-Carboxylic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066524 3-Oxocycloart-24-en-26-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066525 3-Oxolanost-7-en-26,23-olide C30H46O3 454.344695 NA MeJP NA NA +MJ066526 3-Oxolanosta-7,24-dien-26-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066527 3-Oxolanosta-8,24-dien-21-oic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066528 3-Oxolanosta-9(11),24-dien-26-oic acid; 24Z-form C30H46O3 454.344695 NA MeJP NA NA +MJ066529 6,26-Dihydroxy-20,24-dammaradien-3-one, 26-Aldehyde C30H46O3 454.344695 NA MeJP NA NA +MJ066530 6-Hydroxy-12-oleanene-3,11-dione C30H46O3 454.344695 NA MeJP NA NA +MJ066531 6-Hydroxy-20(29)-lupene-3,21-dione C30H46O3 454.344695 NA MeJP NA NA +MJ066532 6-Hydroxytirucalla-7,24-diene-3,23-dione C30H46O3 454.344695 NA MeJP NA NA +MJ066533 7-Hydroxy-3-oxolanosta-8,24-dien-26-al C30H46O3 454.344695 NA MeJP NA NA +MJ066534 Bacogenin A3 C30H46O3 454.344695 NA MeJP NA NA +MJ066535 Cneorin NP36 C30H46O3 454.344695 NA MeJP NA NA +MJ066536 Echinodol; Deacetyl, 3-ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066537 Eupha-7,24-diene-3,21,26-triol, 21-Aldehyde, 3-ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066538 Flindissol; 21-Oxo C30H46O3 454.344695 NA MeJP NA NA +MJ066539 Flindissol; 3-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066540 Hippospongic acid A C30H46O3 454.344695 NA MeJP NA NA +MJ066541 Holosta-7,25-dien-3-ol C30H46O3 454.344695 NA MeJP NA NA +MJ066542 Lanosta-7,9(11),24-triene-3,26,27-triol, 3-Ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066543 Mokupalide; 30-Hydroxy C30H46O3 454.344695 NA MeJP NA NA +MJ066544 Monacanthic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066545 Mudanpinoic acid C30H46O3 454.344695 NA MeJP NA NA +MJ066546 Neospirosupinanetrione C30H46O3 454.344695 NA MeJP NA NA +MJ066547 Secocalcitol C30H46O3 454.344695 NA MeJP NA NA +MJ066548 Seychellogenin C30H46O3 454.344695 NA MeJP NA NA +MJ066549 Sodwanone C C30H46O3 454.344695 NA MeJP NA NA +MJ066550 Swertialactone D C30H46O3 454.344695 NA MeJP NA NA +MJ066551 Thysanolactone C30H46O3 454.344695 NA MeJP NA NA +MJ066552 Tirucalla-7,24-diene-3,23,29-triol, 29-Aldehyde, 23-ketone C30H46O3 454.344695 NA MeJP NA NA +MJ066553 Tirucalla-7,24-diene-3,23,29-triol, 3,23-Diketone C30H46O3 454.344695 NA MeJP NA NA +MJ066554 Holarrhenine; N3-De-Me, O12-(4-methyl-3-pentenoyl) C29H46N2O2 454.355928 NA MeJP NA NA +MJ066555 12-Ursen-3-ol, Formyl C31H50O2 454.38108 NA MeJP NA NA +MJ066556 13(18)-Oleanen-3-ol, 3-O-Formyl C31H50O2 454.38108 NA MeJP NA NA +MJ066557 13-Serratene-3,21-diol, 3-Ketone, 21-Me ether C31H50O2 454.38108 NA MeJP NA NA +MJ066558 14-Serratene-3,21-diol, 3-Ketone, 21-Me ether C31H50O2 454.38108 NA MeJP NA NA +MJ066559 14-Serratene-3,21-diol, 21-Ketone, 3-Me ether C31H50O2 454.38108 NA MeJP NA NA +MJ066560 14-Serratene-3,21-diol, 3-Ketone, 21-Me ether C31H50O2 454.38108 NA MeJP NA NA +MJ066561 14-Serratene-3,21-diol, 21-Ketone, 3-Me ether C31H50O2 454.38108 NA MeJP NA NA +MJ066562 24-Isopropenyl-25-methylcholesta-5,22-diene-3,7-diol C31H50O2 454.38108 NA MeJP NA NA +MJ066563 24-Methylene-3,4-secocycloart-4(28)-en-3-oic acid C31H50O2 454.38108 NA MeJP NA NA +MJ066564 24-Methylenelanost-8-ene-3,21-diol, 21-Aldehyde C31H50O2 454.38108 NA MeJP NA NA +MJ066565 24-Methylenelanosta-7,9(11)-diene-3,15-diol C31H50O2 454.38108 NA MeJP NA NA +MJ066566 25-Hydroxytirucalla-7,23-dien-3-one, Me ether C31H50O2 454.38108 NA MeJP NA NA +MJ066567 26-Hydroxy-24-methylenecycloartan-3-one C31H50O2 454.38108 NA MeJP NA NA +MJ066568 28-Nor-12-ursen-3-ol, Ac C31H50O2 454.38108 NA MeJP NA NA +MJ066569 30-Nor-20-taraxasten-3-ol, Ac C31H50O2 454.38108 NA MeJP NA NA +MJ066570 4,28-Hentriacontadiene-2,30-diynoic acid C31H50O2 454.38108 NA MeJP NA NA +MJ066571 4,8,12-Trimethyl-3,7,11-tridecatrienoic acid; 3,7,11-Trimethyl-2,6,10-dodecatrienyl ester C31H50O2 454.38108 NA MeJP NA NA +MJ066572 4-Methylergosta-7,25-dien-3-ol, Ac C31H50O2 454.38108 NA MeJP NA NA +MJ066573 9(11)-Fernene-3,12-diol, 12-Ketone, 3-Me ether C31H50O2 454.38108 NA MeJP NA NA +MJ066574 Cycloart-23-ene-3,25-diol, 3-Ketone, 25-Me ether C31H50O2 454.38108 NA MeJP NA NA +MJ066575 Saraine 2 C30H50N2O 454.392314 NA MeJP NA NA +MJ066576 Tryptamine; Nb-Eicosanoyl C30H50N2O 454.392314 NA MeJP NA NA +MJ066577 14,15-Epoxy-2,3,6,10,15,18,23-heptamethyl-19-methylene-1,6,10,22-tetracosatetrane C32H54O 454.417466 NA MeJP NA NA +MJ066578 24,24-Dimethylcycloartan-3-ol, 25,26-Didehydro C32H54O 454.417466 NA MeJP NA NA +MJ066579 24,24-Dimethyllanosta-7,25-dien-3-ol C32H54O 454.417466 NA MeJP NA NA +MJ066580 24,24-Dimethyllanosta-9(11),25-dien-3-ol C32H54O 454.417466 NA MeJP NA NA +MJ066581 24,25-Dimethyllanosta-9(11),23-dien-3-ol C32H54O 454.417466 NA MeJP NA NA +MJ066582 24-Ethyl-4,14,24-trimethyl-9,19-cyclocholest-25-en-3-ol C32H54O 454.417466 NA MeJP NA NA +MJ066583 24-Ethylcycloart-25-en-3-ol C32H54O 454.417466 NA MeJP NA NA +MJ066584 24-Ethylidene-3-cycloartanol C32H54O 454.417466 NA MeJP NA NA +MJ066585 24-Ethylidenelanost-8-en-3-ol C32H54O 454.417466 NA MeJP NA NA +MJ066586 24-Ethylidenelanost-9(11)-en-3-ol C32H54O 454.417466 NA MeJP NA NA +MJ066587 24-Ethyllanosta-9(11),25-dien-3-ol C32H54O 454.417466 NA MeJP NA NA +MJ066588 25-Methyl-24-methylenecycloartan-3-ol C32H54O 454.417466 NA MeJP NA NA +MJ066589 26,27-Dimethyl-26-methylenestigmast-7-en-3-ol C32H54O 454.417466 NA MeJP NA NA +MJ066590 Cyclohomonervilol C32H54O 454.417466 NA MeJP NA NA +MJ066591 1,11-Triacontanediol C30H62O2 454.474981 NA MeJP NA NA +MJ066592 1,30-Triacontanediol C30H62O2 454.474981 NA MeJP NA NA +MJ066593 10,11-Triacontanediol C30H62O2 454.474981 NA MeJP NA NA +MJ066594 6,11-Triacontanediol C30H62O2 454.474981 NA MeJP NA NA +MJ066595 6,8-Triacontanediol C30H62O2 454.474981 NA MeJP NA NA +MJ066596 7,9-Triacontanediol C30H62O2 454.474981 NA MeJP NA NA +MJ066597 Pyrrolomycin F; Pyrrolomycin F2a C11H5Br3ClNO2 454.755894 NA MeJP NA NA +MJ066598 Pyrrolomycin F; Pyrrolomycin F2b C11H5Br3ClNO2 454.755894 NA MeJP NA NA +MJ066599 Convolutamine D C13H16Br3NO2 454.873116 NA MeJP NA NA +MJ066600 3,4-Dihydroxybenzyl glucosinolate; 3-Me ether C15H21NO11S2 455.055601 NA MeJP NA NA +C06885 Cefotaxime C16H17N5O7S2 455.0569 NA KEGG NA NA +MJ066601 Cefotaxime C16H17N5O7S2 455.056939 NA MeJP NA NA +MJ066602 Clevidipine C21H23Cl2NO6 455.090242 NA MeJP NA NA +MJ066603 Sporidesmin F C19H22ClN3O6S 455.091783 NA MeJP NA NA +PJ001770 CCCQ C14H25N5O6S3 455.0967 NA PeJP NA NA +MJ066604 Riboflavine; 5'-Phosphate C17H20N4O9P 455.096789 NA MeJP NA NA +PJ001771 GSSCC C14H25N5O8S2 455.1145 NA PeJP NA NA +MJ066605 Apafant C22H22ClN5O2S 455.118273 NA MeJP NA NA +8226 antioxidative peptide MWC 455.1194 NA ;SYN:(-)-beta-Phenylalanine; (L)-Phenylalanine; (S)-(-)-Phenylalanine; (S)-2-Amino-3-phenylpropionate; (S)-2-Amino-3-phenylpropionic acid; (S)-2-amino-3-phenylpropanoate; (S)-2-amino-3-phenylpropanoic acid; (S)-Phenylalanine; (S)-alpha-Amino-benzenepropanoate; (S)-alpha-Amino-benzenepropanoic acid; (S)-alpha-Amino-beta-phenylpropionate; (S)-alpha-Amino-beta-phenylpropionic acid; (S)-alpha-Aminobenzenepropanoate; (S)-alpha-Aminobenzenepropanoic acid; (S)-alpha-Aminohydrocinnamate; (S)-alpha-Aminohydrocinnamic acid; 3-Phenyl-L-alanine; L-2-Amino-3-phenylpropionate; L-2-Amino-3-phenylpropionic acid; Phe; Phenylalamine; Phenylalanine; alpha-Aminohydrocinnamate; alpha-Aminohydrocinnamic acid; beta-Phenyl-L-alanine; beta-Phenyl-alpha-alanine; beta-Phenylalanine; phenyl-AlanineH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +MJ066606 Aristolactam I; N-?-D-Glucopyranoside C23H21NO9 455.121631 NA MeJP NA NA +PJ001772 CCCK C15H29N5O5S3 455.1331 NA PeJP NA NA +MJ066607 10-[3-[4-(2-Chloroethyl)-1-piperazinyl]propyl]-2-(trifluoromethyl)-10H-phenothiazine C22H25ClF3N3S 455.14098 NA MeJP NA NA +PJ001773 GCNY C18H25N5O7S 455.1475 NA PeJP NA NA +MJ066608 Staurosporine; 4'-De(methylamino), 4',7-dihydroxy, O-de-Me C26H21N3O5 455.14812 NA MeJP NA NA +HMDB01354 5,10-Methenyltetrahydrofolic acid C20H21N7O6 455.15533 http://www.hmdb.ca/metabolites/HMDB01354 HMDB NA NA +HMDB01354 5,10-Methenyltetrahydrofolic acid C20H21N7O6 455.15533 HMDB01354 PFEM_hmdb_metabocards_official NA NA +HMDB01354 5,10-Methenyltetrahydrofolic acid C20H21N7O6 455.155334 NA HMDB2010 NA NA +MJ066609 Antibiotic Sch 38519 C24H25NO8 455.158016 NA MeJP NA NA +MJ066610 Gymnastatin C; 6,10-Dideoxy, 6,7,9,10-tetradehydro, O2-de-Me C23H31Cl2NO4 455.163013 NA MeJP NA NA +PJ001774 GNEH C17H25N7O8 455.1765 NA PeJP NA NA +3297 NA YHH 455.179 celiac toxic Inhouse_peptide NA peptide +7914 synthetic peptide HYH 455.179 antioxidative Inhouse_peptide NA peptide +7917 synthetic peptide HHY 455.179 antioxidative Inhouse_peptide NA peptide +MJ066611 3-(2-Hydroxyethyl)indole; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C21H29NO10 455.179146 NA MeJP NA NA +MJ066612 Aminoquinol C26H31Cl2N3 455.189503 NA MeJP NA NA +PJ001775 NHW C21H25N7O5 455.1917 NA PeJP NA NA +MJ066613 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(3,4,5-Trimethoxybenzoyl), 6-O-benzoyl C25H29NO7 455.194402 NA MeJP NA NA +PJ001776 PPNE C19H29N5O8 455.2016 NA PeJP NA NA +C17701 Gentamicin A2 C17H33N3O11 455.2115 NA KEGG NA NA +C18002 5-Ribosylparomamine C17H33N3O11 455.2115 NA KEGG NA NA +MJ066614 Antibiotic LL-BM 408 C17H33N3O11 455.211508 NA MeJP NA NA +MJ066615 Antibiotic S-11-A C17H33N3O11 455.211508 NA MeJP NA NA +MJ066616 Gentamicin A2 C17H33N3O11 455.211508 NA MeJP NA NA +MJ066617 Inosamycin E C17H33N3O11 455.211508 NA MeJP NA NA +MJ066618 Paromamine; O5-?-D-Xylofuranosyl C17H33N3O11 455.211508 NA MeJP NA NA +PJ001777 GDKH C18H29N7O7 455.2129 NA PeJP NA NA +MJ066619 Heliosupine; 3'-Ac, N-oxide C22H33NO9 455.215531 NA MeJP NA NA +MJ066620 Parsonsianidine C22H33NO9 455.215531 NA MeJP NA NA +MJ066621 Parsonsine; 16?-Hydroxy C22H33NO9 455.215531 NA MeJP NA NA +MJ066622 Parsonsine; N-Oxide C22H33NO9 455.215531 NA MeJP NA NA +PJ001778 GPPW C23H29N5O5 455.2169 NA PeJP NA NA +PJ001779 GSHR C17H29N9O6 455.2241 NA PeJP NA NA +MJ066623 7-[2-Hydroxy-5-oxo-4-[(2,4,6-trimethyl-1-oxo-2,4-decadienyl)amino]-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-2,4,6-heptatrienoic acid C26H33NO6 455.230787 NA MeJP NA NA +MJ066624 Lacidipine C26H33NO6 455.230787 NA MeJP NA NA +MJ066625 Mycotrienol II; Quinone C26H33NO6 455.230787 NA MeJP NA NA +MJ066626 Piprofurol C26H33NO6 455.230787 NA MeJP NA NA +MJ066627 Venudelphine C26H33NO6 455.230787 NA MeJP NA NA +MJ066628 Lipoxin C4; N-Deglutamyl, C-deglycyl C23H37NO6S 455.234158 NA MeJP NA NA +MetaCyc03616 20-hydroxy-leukotriene-E4 [] C23H37N1O6S1 455.234159 111844-33-8 metacyc NA NA +EUR147 20-OH-leukotriene E4 C23H37NO6S 455.234161 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR147 20-OH-leukotriene E4 C23H37NO6S 455.234161 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR147 20-OH-leukotriene E4 C23H37NO6S 455.234161 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR147 20-OH-leukotriene E4 C23H37NO6S 455.234161 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR147 20-OH-leukotriene E4 C23H37NO6S 455.234161 Wishlist HMDB NA NA +EUR147 20-OH-leukotriene E4 C23H37NO6S 455.234161 Wishlist Inhouse_PFEM NA NA +EUR147 20-OH-leukotriene E4 C23H37NO6S 455.234161 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR147 20-OH-leukotriene E4 C23H37NO6S 455.234161 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR147 20-OH-leukotriene E4 C23H37NO6S 455.2342 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR147 20-OH-leukotriene E4 C23H37NO6S 455.2342 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR147 20-OH-leukotriene E4 C23H37NO6S 455.2342 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR147 20-OH-leukotriene E4 C23H37NO6S 455.2342 Wishlist Inhousejuil11 NA NA +C03577 20-Hydroxyleukotriene E4 C23H37NO6S 455.2342 NA KEGG NA NA +C03578 23,24-Dihydrocucurbitacin C31H45O8R 455.2342 NA KEGG NA NA +MJ066629 Flezelastine C29H30FN3O 455.23729 NA MeJP NA NA +PJ001780 PPDK C20H33N5O7 455.238 NA PeJP NA NA +PJ001781 SPPR C19H33N7O6 455.2493 NA PeJP NA NA +2622 synthetic fr,of human beta-CN (65-68) ACE inhibitor NILP 455.2629 NA Inhouse_peptide NA peptide +PJ001782 PVLQ C21H37N5O6 455.2744 NA PeJP NA NA +MJ066630 Moxilubant C26H37N3O4 455.278406 NA MeJP NA NA +PJ001783 APLR C20H37N7O5 455.2856 NA PeJP NA NA +CJneg0609 Cholic acid [(M-H)+(HCOOH)]- (13C) C2413CH41O7 455.296925 C18rt(min)=9.25 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0609 Cholic acid [(M-H)+(HCOOH)]- (13C) C2413CH41O7 455.296925 C18rt(min)=9.25 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +8183 ACE Inhibitor VIKP 455.298 antibacterial Inhouse_peptide NA peptide +MJ066631 Piericidin; Antibiotic IT 143B C28H41NO4 455.303558 NA MeJP NA NA +PJ001784 PVLK C22H41N5O5 455.3108 NA PeJP NA NA +MJ066632 16,28-Secosolanida-5,22(28)-diene-3,16-diol, 16-Ac C29H45NO3 455.339944 NA MeJP NA NA +MJ066633 Leptinidine; 23-Ac C29H45NO3 455.339944 NA MeJP NA NA +MJ066634 Radpetine C29H45NO3 455.339944 NA MeJP NA NA +MJ066635 Spirosol-5-en-3-ol, O-Ac C29H45NO3 455.339944 NA MeJP NA NA +MJ066636 Agelasimine B C27H45N5O 455.362411 NA MeJP NA NA +HMDB06460 Arachidyl carnitine C27H53NO4 455.39746 http://www.hmdb.ca/metabolites/HMDB06460 HMDB NA NA +HMDB06460 Arachidyl carnitine C27H53NO4 455.39746 HMDB06460 PFEM_hmdb_metabocards_official NA NA +HMDB06460 Arachidyl carnitine C27H53NO4 455.397461 NA HMDB2010 NA NA +8143 peptide derived from wheat gluten LQPGQGQQG 455.7155 MH2+ Inhouse_peptide NA peptide +C18180 1,2,3,4,6,7,8,9-Octachlorodibenzo-p-dioxin C12Cl8O2 455.7407 NA KEGG NA NA +C18181 Growth hormone C12Cl8O2 455.7407 NA KEGG NA NA +C18182 Thyroid stimulating hormone C12Cl8O2 455.7407 NA KEGG NA NA +C18183 Luteinizing hormone C12Cl8O2 455.7407 NA KEGG NA NA +C18184 Follicle stimulating hormone C12Cl8O2 455.7407 NA KEGG NA NA +C18185 Chorionic gonadotropin C12Cl8O2 455.7407 NA KEGG NA NA +C18186 Gastrin-14 C12Cl8O2 455.7407 NA KEGG NA NA +C18187 Gastrin-34 C12Cl8O2 455.7407 NA KEGG NA NA +C18188 Leptin C12Cl8O2 455.7407 NA KEGG NA NA +C18189 Adiponectin C12Cl8O2 455.7407 NA KEGG NA NA +C18190 Resistin C12Cl8O2 455.7407 NA KEGG NA NA +MJ066637 3,4-Dibromo-5-hydroxymethyl-1,2-benzenediol; 1,2-Disulfate ester C7H6Br2O9S2 455.781998 NA MeJP NA NA +MJ066638 Palisadin B; 12-Bromo C15H23Br3O 455.929903 NA MeJP NA NA +MJ066639 Palisadin B; ?3(12)-Isomer, 4?-bromo C15H23Br3O 455.929903 NA MeJP NA NA +MJ066640 Dysamide A; 1',3-Didehydro(E-) C14H18Cl6N2O2 455.949944 NA MeJP NA NA +MJ066641 Dysamide A; 1',3-Didehydro(Z-) C14H18Cl6N2O2 455.949944 NA MeJP NA NA +MJ066642 Melarsonyl C13H13AsN6O4S2 455.965565 NA MeJP NA NA +MJ066643 Dioxation C12H26O6P2S4 456.008744 NA MeJP NA NA +C15352 6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one C20H26Br2O2 456.03 NA KEGG NA NA +MJ066644 3,8-Dichloro-11,12-dihydroindolo[2,3-a]carbazole; N-?-D-Xylopyranosyl C23H18Cl2N2O4 456.064362 NA MeJP NA NA +PJ001785 CCCE C14H24N4O7S3 456.0807 NA PeJP NA NA +MJ066645 5-Methyl 3-(1-methylethyl) 2-[[(aminocarbonyl)oxy]methyl]-4-(2,3-dichlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate C20H22Cl2N2O6 456.085491 NA MeJP NA NA +MJ066646 Phlomiol; 7-Epimer, 7-deoxy, 7-chloro C17H25ClO12 456.103453 NA MeJP NA NA +EUR443 Flavine Mononucleotide F1 NA 456.104275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR443 Flavine Mononucleotide F1 NA 456.104275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR443 Flavine Mononucleotide F1 NA 456.104275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR443 Flavine Mononucleotide F1 NA 456.104275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR443 Flavine Mononucleotide F1 NA 456.104275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR443 Flavine Mononucleotide F1 NA 456.104275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR443 Flavine Mononucleotide F1 NA 456.104275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR443 Flavine Mononucléotide F1 NA 456.104275 standards wishlist analysés sur QTOF HMDB NA NA +EUR443 Flavine Mononucleotide F1 NA 456.104275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR443 Flavine Mononucleotide F1 NA 456.104275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR443 Flavine Mononucleotide F1 NA 456.104275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR443 Flavine Mononucleotide F1 NA 456.104275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR203 Flavin Mononucleotide C17H21N4O9P 456.1046 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR203 Flavin Mononucleotide C17H21N4O9P 456.1046 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR203 Flavin Mononucleotide C17H21N4O9P 456.1046 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR203 Flavin Mononucleotide C17H21N4O9P 456.1046 Wishlist Inhousejuil11 NA NA +C00061 FMN C17H21N4O9P 456.1046 NA KEGG NA NA +HMDB01520 Flavin Mononucleotide C17H21N4O9P 456.10461 http://www.hmdb.ca/metabolites/HMDB01520 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01520 Flavin Mononucleotide C17H21N4O9P 456.10461 http://www.hmdb.ca/metabolites/HMDB01520 HMDB NA NA +HMDB01520 Flavin Mononucleotide C17H21N4O9P 456.10461 http://www.hmdb.ca/metabolites/HMDB01520 PFEM_hmdb_metabocards_blood NA blood +HMDB01520 Flavin Mononucleotide C17H21N4O9P 456.10461 HMDB01520 PFEM_hmdb_metabocards_official NA NA +HMDB01520 Flavin Mononucleotide C17H21N4O9P 456.104614 NA HMDB2010 NA NA +MJ066647 FMN C17H21N4O9P 456.104614 NA MeJP NA NA +MetaCyc03617 FMN [flavin mononucleotide;] C17H21N4O9P1 456.104615 146-17-8 metacyc NA NA +EUR203 Flavin Mononucleotide C17H21N4O9P 456.104619 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR203 Flavin Mononucleotide C17H21N4O9P 456.104619 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR203 Flavin Mononucleotide C17H21N4O9P 456.104619 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR203 Flavin Mononucleotide C17H21N4O9P 456.104619 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR203 Flavin Mononucleotide C17H21N4O9P 456.104619 Wishlist HMDB NA NA +EUR203 Flavin Mononucleotide C17H21N4O9P 456.104619 Wishlist Inhouse_PFEM NA NA +EUR203 Flavin Mononucleotide C17H21N4O9P 456.104619 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR203 Flavin Mononucleotide C17H21N4O9P 456.104619 Wishlist PFEM_hmdb_metabocards_official NA NA +FL5FFANS0024 3,5,7-Tris(acetyloxy)-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C23H20O10 456.10564 117155-59-6 knapsack NA NA +FL63ACNS0009 Epicatechin 3-O-(3-O-methylgallate) C23H20O10 456.10564 83104-86-3 knapsack NA NA +FL63ACNS0010 Epicatechin 3-O-(4-O-methylgallate) C23H20O10 456.10564 108907-44-4 knapsack NA NA +FL63AGNS0016 Epigallocatechin 3-O-vanillate C23H20O10 456.10564 173484-93-0 knapsack NA NA +MJ066648 3,3',4',5,5',7-Hexahydroxyflavan, 3-O-(4-Hydroxy-3-methoxybenzoyl) C23H20O10 456.105646 NA MeJP NA NA +MJ066649 3,3',4',5,7-Pentahydroxyflavan, 3-O-(3,4-Dihydroxy-5-methoxybenzoyl) C23H20O10 456.105646 NA MeJP NA NA +MJ066650 3,3',4',5,7-Pentahydroxyflavan, 3-O-(3,5-Dihydroxy-4-methoxybenzoyl) C23H20O10 456.105646 NA MeJP NA NA +MJ066651 Isoplagiochin C; 6'-Chloro C28H21ClO4 456.112836 NA MeJP NA NA +PJ001786 TCCM C15H28N4O6S3 456.1171 NA PeJP NA NA +MJ066652 Mulberrofuran R C27H20O7 456.120902 NA MeJP NA NA +MJ066653 7-Hydroxy-2H-1-benzopyran-2-one; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C20H24O12 456.126776 NA MeJP NA NA +MJ066654 Asperuloside; 6'-Ac C20H24O12 456.126776 NA MeJP NA NA +PJ001787 GCDY C18H24N4O8S 456.1315 NA PeJP NA NA +C10886 Steganacin C24H24O9 456.142 NA KEGG NA NA +MJ066655 4-[3-[[(3-Methoxy-5-methylpyrazinyl)amino]sulfonyl]-2-pyridinyl]-?,?-dimethylbenzenepropanoic acid C22H24N4O5S 456.14674 NA MeJP NA NA +PJ001788 GCMF C19H28N4O5S2 456.1501 NA PeJP NA NA +MJ066656 Osutidine C19H28N4O5S2 456.150111 NA MeJP NA NA +MJ066657 15-Bromo-9(11)-parguerene-2,7,16,19-tetrol, 2-Ac C22H33BrO5 456.151136 NA MeJP NA NA +MJ066658 Isoparguerol C22H33BrO5 456.151136 NA MeJP NA NA +MJ066659 9-Benzoyl-2,3-dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-5-phenyl-7H-furo[3,2-g]-1-benzopyran-7-one; 3-Deoxy C28H24O6 456.157288 NA MeJP NA NA +MJ066660 Anibadimer A C28H24O6 456.157288 NA MeJP NA NA +MJ066661 Furostilbestrol C28H24O6 456.157288 NA MeJP NA NA +MJ066662 Gnetin B C28H24O6 456.157288 NA MeJP NA NA +MJ066663 Gnetin F C28H24O6 456.157288 NA MeJP NA NA +MJ066664 Marchantin C; 2',12-Dihydroxy C28H24O6 456.157288 NA MeJP NA NA +MJ066665 Marchantin C; 2',7'?-Dihydroxy C28H24O6 456.157288 NA MeJP NA NA +MJ066666 Marchantin C; 2',7-Dihydroxy C28H24O6 456.157288 NA MeJP NA NA +PJ001789 GDEH C17H24N6O9 456.1605 NA PeJP NA NA +MetaCyc03618 5,10-methenyl-THF [n5-n10-CH-THF;n5-n10-methenyltetrahydrofolate;CH-THF;5,10-methenyltetrahydrofolate;anhydroleucovorin;methenyl-tetrahydrofolate;methenyl-THF;methenyl-H4F;] C20H22N7O6 456.163156 7444-29-3 metacyc NA NA +MJ066667 1,4,5,8,10,13-Hexahydroxy-7(11)-muurolen-12,6-olide, 5,8,10-Tri-Ac C21H28O11 456.163161 NA MeJP NA NA +MJ066668 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(3-?-D-Glucopyranosyloxy-2-hydroxy-3-methylbutyl) C21H28O11 456.163161 NA MeJP NA NA +MJ066669 Deacylchelonanthoside; O-Tigloyl C21H28O11 456.163161 NA MeJP NA NA +C00445 5,10-Methenyltetrahydrofolate C20H22N7O6 456.1632 NA KEGG NA NA +MJ066670 Antibiotic OF 4949; Antibiotic OF 4949IV C22H24N4O7 456.164499 NA MeJP NA NA +MJ066671 Kalihinol X; 5-Isothiocyanate C22H33ClN2O2S2 456.167197 NA MeJP NA NA +PJ001790 GSMY C19H28N4O7S 456.1679 NA PeJP NA NA +MJ066672 Tyraminoporphine C27H24N2O5 456.168521 NA MeJP NA NA +PJ001791 DHW C21H24N6O6 456.1758 NA PeJP NA NA +FL3FEGNI0001 2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one C25H28O8 456.17841 194735-90-5 knapsack NA NA +FL5FALNI0002 Kushenol G C25H28O8 456.17841 99119-71-8 knapsack NA NA +FL5FFCNI0004 3,5,8,3',4'-Pentamethoxy-7-prenyloxyflavone C25H28O8 456.17841 114371-87-8 knapsack NA NA +FLIAAANF0003 Lupinisoflavone M C25H28O8 456.17841 128700-28-7 knapsack NA NA +MJ066673 15,16-Epoxy-1-oxo-2,13(16),14-clerodatriene-17,12:18,19-diolide, 2,3-Dihydro, 6?-angeloyloxy C25H28O8 456.178417 NA MeJP NA NA +MJ066674 3',4',5,5',6,7-Hexahydroxyflavone; 4'-O-(3-Methyl-2-butenyl), 3',5,5',6,7-penta-Me ether C25H28O8 456.178417 NA MeJP NA NA +MJ066675 3,3',4',5,7,8-Hexahydroxyflavone; 7-O-(3-Methyl-2-butenyl), 3,3',4',5,8-penta-Me ether C25H28O8 456.178417 NA MeJP NA NA +MJ066676 Cneorin D C25H28O8 456.178417 NA MeJP NA NA +MJ066677 Cneorin F; 8?,9-Dihydro, 9-oxo C25H28O8 456.178417 NA MeJP NA NA +MJ066678 Cneorin F; 8?,9?-Epoxide C25H28O8 456.178417 NA MeJP NA NA +MJ066679 Cneorin F; 8?,9-Dihydro, 9-oxo C25H28O8 456.178417 NA MeJP NA NA +MJ066680 Cneorin K; 8,9-Dihydro,8?,9?-epoxide C25H28O8 456.178417 NA MeJP NA NA +MJ066681 Colensoic acid; 2'-Oxo C25H28O8 456.178417 NA MeJP NA NA +MJ066682 Dehydroaustinol C25H28O8 456.178417 NA MeJP NA NA +MJ066683 Drummondin B C25H28O8 456.178417 NA MeJP NA NA +MJ066684 Falconensin A; Bis(dechloro), 8-Ac C25H28O8 456.178417 NA MeJP NA NA +MJ066685 Kushenol C; 4'',5''-Dihydro, 5-hydroxy C25H28O8 456.178417 NA MeJP NA NA +MJ066686 Lupinisoflavone M C25H28O8 456.178417 NA MeJP NA NA +MJ066687 Norlobaric acid; 3-Me ether C25H28O8 456.178417 NA MeJP NA NA +MJ066688 Norlobaric acid; Me ester C25H28O8 456.178417 NA MeJP NA NA +MJ066689 Oxokadsurane; Propanoyl C25H28O8 456.178417 NA MeJP NA NA +MJ066690 Prasanthalin C25H28O8 456.178417 NA MeJP NA NA +MJ066691 Sigmoidin D; 4'?-Hydroxy, 8'-O-(3-methyl-2-butenyl) C25H28O8 456.178417 NA MeJP NA NA +MJ066692 Tricoccin S2 C25H28O8 456.178417 NA MeJP NA NA +PJ001792 PTCH C18H28N6O6S 456.1791 NA PeJP NA NA +MJ066693 Antibiotic K 252c; N13-(3-Amino-2,3,6-trideoxy-5-hydroxy-erythro-hexopyrano-5-ulosyl) C26H24N4O4 456.179755 NA MeJP NA NA +MJ066694 6-Deoxy-?-L-altropyranosyl-(1?2)-6-deoxy-?-L-altropyranosyl-(1?3)-6-deoxy-L-altrose C18H32O13 456.184291 NA MeJP NA NA +MJ066695 ?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-L-rhamnose C18H32O13 456.184291 NA MeJP NA NA +MJ066696 ?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?4)-L-rhamnose C18H32O13 456.184291 NA MeJP NA NA +MJ066697 ?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-D-rhamnose C18H32O13 456.184291 NA MeJP NA NA +MJ066698 Viridotriose C; 6-Deoxy C18H32O13 456.184291 NA MeJP NA NA +MJ066699 ?-D-Rhamnopyranosyl-(1?2)-?-D-rhamnopyranosyl-(1?3)-D-rhamnose C18H32O13 456.184291 NA MeJP NA NA +MJ066700 ?-D-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-L-rhamnose C18H32O13 456.184291 NA MeJP NA NA +MJ066701 ?-D-Rhamnopyranosyl-(1?3)-?-D-rhamnopyranosyl-(1?2)-D-rhamnose C18H32O13 456.184291 NA MeJP NA NA +MJ066702 ?-D-Rhamnopyranosyl-(1?3)-?-D-rhamnopyranosyl-(1?3)-D-rhamnose C18H32O13 456.184291 NA MeJP NA NA +MJ066703 ?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-6-deoxy-D-glucose C18H32O13 456.184291 NA MeJP NA NA +MJ066704 ?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?2)-?-L-rhamnopyranose C18H32O13 456.184291 NA MeJP NA NA +MJ066705 ?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-L-rhamnose C18H32O13 456.184291 NA MeJP NA NA +MJ066706 ?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-L-rhamnose C18H32O13 456.184291 NA MeJP NA NA +MJ066707 ?-L-Rhamnopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?4)]-L-rhamnose C18H32O13 456.184291 NA MeJP NA NA +MJ066708 ?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-L-rhamnose C18H32O13 456.184291 NA MeJP NA NA +MJ066709 ?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-L-rhamnose C18H32O13 456.184291 NA MeJP NA NA +PJ001793 SSTY C19H28N4O9 456.1856 NA PeJP NA NA +PJ001794 PPDE C19H28N4O9 456.1857 NA PeJP NA NA +MJ066710 11,12-Methylenedioxykopsinaline; N-Methoxycarbonyl C24H28N2O7 456.189651 NA MeJP NA NA +MJ066711 Kopsaporine; 12-Methoxy C24H28N2O7 456.189651 NA MeJP NA NA +MJ066712 Kopsidasine; N4-Oxide C24H28N2O7 456.189651 NA MeJP NA NA +MJ066713 Novacine; 19?,20?-Epoxide, 15-hydroxy C24H28N2O7 456.189651 NA MeJP NA NA +MJ066714 Singapurensine A; Me ether C24H28N2O7 456.189651 NA MeJP NA NA +MJ066715 Benastatin C C29H28O5 456.193674 NA MeJP NA NA +MJ066716 Bulbocodin C C29H28O5 456.193674 NA MeJP NA NA +MJ066717 Perrottetin E; 10'-Hydroxy, 11-Me ether C29H28O5 456.193674 NA MeJP NA NA +MJ066718 Perrottetin E; 11'-Me ether, 14-hydroxy C29H28O5 456.193674 NA MeJP NA NA +MJ066719 Perrottetin E; 3'-Hydroxy, 2'-Me ether C29H28O5 456.193674 NA MeJP NA NA +MJ066720 Shanciguol; 3-Me ether C29H28O5 456.193674 NA MeJP NA NA +MJ066721 Delavirdine C22H28N6O3S 456.194359 NA MeJP NA NA +C06941 Delavirdine C22H28N6O3S 456.1944 NA KEGG NA NA +C06942 Transferred to D00290 C22H28N6O3S 456.1944 NA KEGG NA NA +PJ001795 ATEH C18H28N6O8 456.1969 NA PeJP NA NA +MJ066722 Haloperidide C26H30ClFN2O2 456.197984 NA MeJP NA NA +MJ066723 1-(2-Hydroxyethyl)-1,4-cyclohexanediol, 2'-[4-Hydroxyphenylacetyl-(?6)-?-D-glucopyranoside] C22H32O10 456.199547 NA MeJP NA NA +MJ066724 3,4,7,8,15-Scirpenepentol, 8-O-(3-Hydroxy-3-methylbutanoyl), 15-Ac C22H32O10 456.199547 NA MeJP NA NA +MJ066725 3,8,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide, 13-Me ether, 3-O-?-D-glucopyranoside C22H32O10 456.199547 NA MeJP NA NA +MJ066726 Taxagifin III; 4-O-De-Ac C22H32O10 456.199547 NA MeJP NA NA +PJ001796 QFY C23H28N4O6 456.2009 NA PeJP NA NA +PJ001797 GPHF C22H28N6O5 456.2121 NA PeJP NA NA +CJpos0796 Hydroxyretinoic Glucuronide (and isomers) [(M+H)-2(H2O)]+ C26H33O7 456.214275 C18rt(min)=8.95 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0796 Hydroxyretinoic Glucuronide (and isomers) [(M+H)-2(H2O)]+ C26H33O7 456.214275 C18rt(min)=8.95 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ066727 16,17-[Butylidenebis(oxy)]-6,9-difluoro-11-hydroxy-17-(methylthio)androst-4-en-3-one C24H34F2O4S 456.214586 NA MeJP NA NA +C17444 Kurarinol C26H32O7 456.2148 NA KEGG NA NA +C17445 Kuraridinol C26H32O7 456.2148 NA KEGG NA NA +FL1CAENR0001 Antiarone J C26H32O7 456.2148 137196-96-4 knapsack NA NA +FL1CALNI0003 Kuraridinol C26H32O7 456.2148 52482-98-1 knapsack NA NA +FL2FALNI0040 Kushenol Q;5,7,2',4'-Tetrahydroxy-8-[2-(2-hydroxyisopropyl)-5-methyl-4-hexenyl]flavanone C26H32O7 456.2148 254886-70-9 knapsack NA NA +FL2FALNI0041 Kushenol P;(2S)-5,7,4'-Trihydroxy-2'-methoxy-8-(5-hydroxy-5-methyl-2-isopropenylhexyl)flavanone C26H32O7 456.2148 254886-69-6 knapsack NA NA +MJ066728 1,3,5,14-Tetrahydroxy-19-oxobufa-20,22-dienolide, 1,3,5-Orthoacetate C26H32O7 456.214803 NA MeJP NA NA +MJ066729 2-[2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methoxy-6-(3-methyl-2-butenyl)-1H-inden-1-yl]-1-(2,4,6-trihydroxyphenyl)ethanone C26H32O7 456.214803 NA MeJP NA NA +MJ066730 3,14,16-Trihydroxy-19-oxobufa-4,20,22-trienolide, 16-Ac C26H32O7 456.214803 NA MeJP NA NA +MJ066731 3-[3-Acetyl-5-(3,7-dimethyl-2,6-octadienyl)-2,4,6-trihydroxybenzyl]-4-hydroxy-5,6-dimethyl-2H-pyran-2-one C26H32O7 456.214803 NA MeJP NA NA +MJ066732 7,9-Dihydroxy-3,3',4,4'-tetramethoxy-(8?9')-neolign-7'-ene, 3'-Demethoxy, 9-O-(2-hydroxymethyl-2-butenenyl)(Z-) C26H32O7 456.214803 NA MeJP NA NA +MJ066733 Angolensic acid C26H32O7 456.214803 NA MeJP NA NA +MJ066734 Kuraridin; 4'',5''-Dihydro, 5''-hydroxy C26H32O7 456.214803 NA MeJP NA NA +MJ066735 Nimbandiol C26H32O7 456.214803 NA MeJP NA NA +MJ066736 Obacunol C26H32O7 456.214803 NA MeJP NA NA +MJ066737 Oligosporol A; 1,4-Diketone, 1'-Ac C26H32O7 456.214803 NA MeJP NA NA +MJ066738 Resibufagin; 16?-Acetoxy C26H32O7 456.214803 NA MeJP NA NA +MJ066739 Sophoraflavanone G; 4'',5''-Dihydro, 5''-hydroxy, 2'-Me ether C26H32O7 456.214803 NA MeJP NA NA +MJ066740 Sophoraflavanone G; 4'',5''-Dihydro, 5''-hydroxy, 5-Me ether C26H32O7 456.214803 NA MeJP NA NA +MJ066741 Strobilurin E C26H32O7 456.214803 NA MeJP NA NA +MJ066742 Strobilurin I; 2''-O-(3-Methyl-2-butenoyl) C26H32O7 456.214803 NA MeJP NA NA +PJ001798 GLMH C19H32N6O5S 456.2155 NA PeJP NA NA +MJ066743 3'-[Bis(2-hydroxyethyl)amino]acetophenone (4,5-diphenyl-2-oxazolyl)hydrazone C27H28N4O3 456.21614 NA MeJP NA NA +3779 dipeptidyl carboxypeptidase inhibitor PPPF 456.224 ACE inhibitor Inhouse_peptide NA peptide +7652 ACE inhibitor from wakame KFY 456.225 antioxidative Inhouse_peptide NA peptide +C01626 Vindoline C25H32N2O6 456.226 NA KEGG NA NA +C01628 Vitamin K C11H7O2R 456.226 NA KEGG NA NA +C01629 Wax ester C11H7O2R 456.226 NA KEGG NA NA +MJ066744 Aspidoalbine; 18-Oxo, Me ether C25H32N2O6 456.226036 NA MeJP NA NA +MJ066745 Vindoline C25H32N2O6 456.226036 NA MeJP NA NA +MetaCyc03619 vindoline [] C25H32N2O6 456.226037 2182-14-1 metacyc NA NA +3776 PEP inhibitor MPLP 456.2284 ACE inhibitor Inhouse_peptide NA peptide +3473 alpha-casomorphin (90-96) RYLGYLE 456.229 MH2+ Inhouse_peptide NA peptide +MJ066746 Chloranthalactone F C30H32O4 456.230059 NA MeJP NA NA +MJ066747 Petrosynol; 15E-Isomer, tetraketone C30H32O4 456.230059 NA MeJP NA NA +MJ066748 Petrosynol; Tetraketone C30H32O4 456.230059 NA MeJP NA NA +PJ001799 STLH C19H32N6O7 456.2333 NA PeJP NA NA +MJ066749 8,11-Dihydroxy-4-guaien-3-one, 8-O-?-D-Glucopyranoside, 11-Ac C23H36O9 456.235932 NA MeJP NA NA +MJ066750 Albocycline; 7-O-De-Me, 7-O-?-D-glucopyranoside C23H36O9 456.235932 NA MeJP NA NA +MJ066751 Cyclo(prolyltyrosylprolylvalyl) C24H32N4O5 456.23727 NA MeJP NA NA +PJ001800 KFY C24H32N4O5 456.2373 NA PeJP NA NA +HMDB11116 Phytyl diphosphate C20H42O7P2 456.24057 NA HMDB2010 NA NA +MetaCyc03620 phytyl-PP [phytyl pyrophosphate;] C20H42O7P2 456.240577 NA metacyc NA NA +C05427 Phytyl diphosphate C20H42O7P2 456.2406 NA KEGG NA NA +C11717 D1927 C21H36N4O5S 456.2406 NA KEGG NA NA +PJ001801 PPLM C21H36N4O5S 456.2407 NA PeJP NA NA +MJ066752 Pipendoxifene C29H32N2O3 456.241292 NA MeJP NA NA +HMDB05771 Rigin C18H32N8O6 456.244476 NA HMDB2010 NA NA +HMDB05771 Rigin C18H32N8O6 456.24448 http://www.hmdb.ca/metabolites/HMDB05771 HMDB NA NA +HMDB05771 Rigin C18H32N8O6 456.24448 HMDB05771 PFEM_hmdb_metabocards_official NA NA +PJ001802 GPQR C18H32N8O6 456.2445 NA PeJP NA NA +MJ066753 1,6,17,27-Tetrahydroxy-19-norwitha-1,3,5(10),24-tetraenolide C27H36O6 456.251188 NA MeJP NA NA +MJ066754 2,14-Dihydroxy-5,8(17),11-briaratrien-18,7-olide, 2-(3-Methyl-2-butenoyl), 14-Ac C27H36O6 456.251188 NA MeJP NA NA +MJ066755 3,7,12-Trihydroxy-1,9,11(13)-eremophilatrien-8-one, 3-(4,6-Dimethyl-2E,4E-octadienoyl), 12-Ac C27H36O6 456.251188 NA MeJP NA NA +MJ066756 7-Hydroxy-25,26,27-trinor-3,11,15-trioxo-8-lanosten-24,20-olide C27H36O6 456.251188 NA MeJP NA NA +MJ066757 8-Daucene-2,4,6-triol, 6-(4-Hydroxybenzoyl), 2-angeloyl C27H36O6 456.251188 NA MeJP NA NA +MJ066758 Antibiotic Sch 420789 C27H36O6 456.251188 NA MeJP NA NA +MJ066759 Estra-1,3,5(10)-triene-3,16,17-triol, Tripropanoyl C27H36O6 456.251188 NA MeJP NA NA +MJ066760 Euphoractine A; 2-Epimer, deacyl, 15-benzoyl C27H36O6 456.251188 NA MeJP NA NA +MJ066761 Euphoractine A; Deacyl, 15-benzoyl C27H36O6 456.251188 NA MeJP NA NA +MJ066762 Euphoractine F; 15-Deacyl, 15-benzoyl C27H36O6 456.251188 NA MeJP NA NA +MJ066763 Euphoractine F; 2-Epimer, 15-deacyl, 15-benzoyl C27H36O6 456.251188 NA MeJP NA NA +MJ066764 Ingenol; 5-Deoxy, 3-angeloyl, 20-Ac C27H36O6 456.251188 NA MeJP NA NA +MJ066765 Jaspiferal C; 13E-Isomer, 3-Ac C27H36O6 456.251188 NA MeJP NA NA +MJ066766 Lucidenic acid E2; Deacetoxy, 3-ketone C27H36O6 456.251188 NA MeJP NA NA +MJ066767 Luffarin R; Ac C27H36O6 456.251188 NA MeJP NA NA +MJ066768 Salannic acid; 3-Deoxy, Me ester C27H36O6 456.251188 NA MeJP NA NA +MJ066769 Surangin A; 1'''-Hydroxy C27H36O6 456.251188 NA MeJP NA NA +HMDB00907 Sulfolithocholic acid C24H40O6S 456.254547 NA HMDB2010 NA NA +HMDB00907 Sulfolithocholic acid C24H40O6S 456.25455 http://www.hmdb.ca/metabolites/HMDB00907 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00907 Sulfolithocholic acid C24H40O6S 456.25455 http://www.hmdb.ca/metabolites/HMDB00907 HMDB NA NA +HMDB00907 Sulfolithocholic acid C24H40O6S 456.25455 http://www.hmdb.ca/metabolites/HMDB00907 PFEM_hmdb_metabocards_blood NA blood +HMDB00907 Sulfolithocholic acid C24H40O6S 456.25455 HMDB00907 PFEM_hmdb_metabocards_official NA NA +MJ066770 3-Hydroxycholan-24-oic acid, 3-Sulfate C24H40O6S 456.254559 NA MeJP NA NA +PJ001803 PVLE C21H36N4O7 456.2584 NA PeJP NA NA +MJ066771 6-Bromo-5,9-pentacosadienoic acid C25H45BrO2 456.260293 NA MeJP NA NA +MJ066772 Zatebradine C26H36N2O5 456.262422 NA MeJP NA NA +MJ066773 13-Chloro-15-isocopalanoic acid, (2-Acetoxy-3-hydroxypropyl) ester C25H41ClO5 456.264252 NA MeJP NA NA +MJ066774 13-Chloro-15-isocopalanoic acid, (3-Acetoxy-2-hydroxypropyl) ester C25H41ClO5 456.264252 NA MeJP NA NA +3620 NA GRKP 456.268 ACE inhibitor Inhouse_peptide NA peptide +PJ001804 PVNK C20H36N6O6 456.2697 NA PeJP NA NA +PJ001805 GPKR C19H36N8O5 456.2809 NA PeJP NA NA +MJ066775 12,22-Dihydroxy-24-methyl-24-oxo-16-scalaren-25-al; 12?-form, 22-Aldehyde, 12-Ac C28H40O5 456.287574 NA MeJP NA NA +MJ066776 12-Hydroxy-5,13-dioxohalidrol C28H40O5 456.287574 NA MeJP NA NA +MJ066777 22-Hydroxy-24-methyl-12,24-dioxo-16-scalaren-25-al; Ac C28H40O5 456.287574 NA MeJP NA NA +MJ066778 3-Clerodene-6,15,17,18-tetrol, 18-Aldehyde, 17-phenylacetyl C28H40O5 456.287574 NA MeJP NA NA +MJ066779 4,27-Dihydroxy-1-oxowitha-2,5,24-trienolide, 2,3-Dihydro C28H40O5 456.287574 NA MeJP NA NA +MJ066780 5,6-Epoxy-21-hydroxy-1-oxowith-24-enolide C28H40O5 456.287574 NA MeJP NA NA +MJ066781 5,6-Epoxy-4,20-dihydroxy-1-oxowith-2-enolide, 20-Deoxy C28H40O5 456.287574 NA MeJP NA NA +MJ066782 5,6-Epoxy-4-hydroxy-1-oxowithanolide, 24,25-Didehydro C28H40O5 456.287574 NA MeJP NA NA +MJ066783 6,19-Epoxy-3,6,8(19),11,15(17)-cembrapentaene-16,20-diol, 16,20-Dibutanoyl C28H40O5 456.287574 NA MeJP NA NA +MJ066784 Amentadione; 1'-Me ether C28H40O5 456.287574 NA MeJP NA NA +MJ066785 Amentol; 1'-Me ether C28H40O5 456.287574 NA MeJP NA NA +MJ066786 Antibiotic Mer-NF 8054X; 3-Ketone C28H40O5 456.287574 NA MeJP NA NA +MJ066787 Aszonapyrone A C28H40O5 456.287574 NA MeJP NA NA +MJ066788 Balearone C28H40O5 456.287574 NA MeJP NA NA +MJ066789 Bifurcarenone, 2'-Me ether C28H40O5 456.287574 NA MeJP NA NA +MJ066790 Bifurcarenone, 5'-Me ether C28H40O5 456.287574 NA MeJP NA NA +MJ066791 Jaborosalactone A; 2,3-Dihydro C28H40O5 456.287574 NA MeJP NA NA +MJ066792 Limocin A; Demethoxy, 23?-hydroxy C28H40O5 456.287574 NA MeJP NA NA +MJ066793 Mzikonol C28H40O5 456.287574 NA MeJP NA NA +MJ066794 Neobalearone C28H40O5 456.287574 NA MeJP NA NA +MJ066795 Ratjadone C28H40O5 456.287574 NA MeJP NA NA +MJ066796 Siraitic acid D C28H40O5 456.287574 NA MeJP NA NA +MJ066797 Strictaepoxide C28H40O5 456.287574 NA MeJP NA NA +MJ066798 Strictaketal C28H40O5 456.287574 NA MeJP NA NA +MJ066799 Tamariscolone C28H40O5 456.287574 NA MeJP NA NA +MJ066800 Taonia peroxylactone A; 5'-Deacetyl, 5'-O-Me C28H40O5 456.287574 NA MeJP NA NA +MJ066801 Teroxalene C28H41ClN2O 456.290741 NA MeJP NA NA +MJ066802 13-Labdene-8,15,16-triol, 8-O-?-Xylopyranoside C25H44O7 456.308703 NA MeJP NA NA +MJ066803 8-Hydroxy-15-labdanoic acid, 8-O-?-D-Xylopyranoside C25H44O7 456.308703 NA MeJP NA NA +MJ066804 Trenizine C31H40N2O 456.314063 NA MeJP NA NA +MJ066805 12-Hydroxy-20,24-dimethyl-17-scalaren-25,24-olide, Ac C29H44O4 456.323959 NA MeJP NA NA +MJ066806 17,23-Epoxy-28-hydroxy-27-norlanost-8-ene-3,24-dione C29H44O4 456.323959 NA MeJP NA NA +MJ066807 2,3,23-Trihydroxy-28-nor-5,12-oleanadien-16-one C29H44O4 456.323959 NA MeJP NA NA +MJ066808 2,3-Dihydroxy-23-nor-12,18-ursadien-28-oic acid C29H44O4 456.323959 NA MeJP NA NA +MJ066809 2,3-Dihydroxy-24-nor-4(23),12-oleanadien-28-oic acid C29H44O4 456.323959 NA MeJP NA NA +MJ066810 2,3-Dihydroxy-24-nor-4(23),12-ursadien-28-oic acid C29H44O4 456.323959 NA MeJP NA NA +MJ066811 2-Hydroxy-24-nor-3-oxo-4-friedelen-29-oic acid C29H44O4 456.323959 NA MeJP NA NA +MJ066812 24-Hydroperoxy-6-hydroxystigmasta-4,28-dien-3-one, 6-Ketone C29H44O4 456.323959 NA MeJP NA NA +MJ066813 27(14?15)-Abeo-2,3-dihydroxy-24-nor-4(23),12-ursadien-28-oic acid C29H44O4 456.323959 NA MeJP NA NA +MJ066814 28-Nor-16,21-oleanadiene-3,19,23,29-tetrol, 23-Aldehyde C29H44O4 456.323959 NA MeJP NA NA +MJ066815 3,11-Dihydroxy-24-nor-20(29)-lupen-28-oic acid, 3-Ketone C29H44O4 456.323959 NA MeJP NA NA +MJ066816 3,16-Dihydroxyfusida-9(11),17(20)-dien-21-oic acid C29H44O4 456.323959 NA MeJP NA NA +MJ066817 3,21-Dihydroxy-16-oxo-28-nor-12-oleanen-23-al C29H44O4 456.323959 NA MeJP NA NA +MJ066818 3,22,28-Trihydroxy-25-nor-1(10),20(29)-lupadien-2-one C29H44O4 456.323959 NA MeJP NA NA +MJ066819 3,23-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid C29H44O4 456.323959 NA MeJP NA NA +MJ066820 3,24-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid; 3?-form C29H44O4 456.323959 NA MeJP NA NA +MJ066821 3-Hydroxy-30-nor-20-oxo-28-lupanoic acid, 3-Ketone C29H44O4 456.323959 NA MeJP NA NA +MJ066822 Anthosterone B C29H44O4 456.323959 NA MeJP NA NA +MJ066823 Callystatin A C29H44O4 456.323959 NA MeJP NA NA +MJ066824 Emecorrugatin B C29H44O4 456.323959 NA MeJP NA NA +MJ066825 Eunicenone B; O-De-Ac, Me ester C29H44O4 456.323959 NA MeJP NA NA +MJ066826 Kanerin C29H44O4 456.323959 NA MeJP NA NA +MJ066827 Lapinone C29H44O4 456.323959 NA MeJP NA NA +MJ066828 Pulverulactone C29H44O4 456.323959 NA MeJP NA NA +MJ066829 Spirost-5-en-3-ol, Ac C29H44O4 456.323959 NA MeJP NA NA +MJ066830 Viburnol J C29H44O4 456.323959 NA MeJP NA NA +C16891 Callystatin A C29H44O4 456.324 NA KEGG NA NA +PJ001806 VLLL C23H44N4O5 456.3312 NA PeJP NA NA +MJ066831 Citranaxanthin C33H44O 456.339216 NA MeJP NA NA +MJ066832 5,6-Dihydro-6-(2,4,6-trihydroxyheneicosyl)-2H-pyran-2-one; 10'-Hydroxy C26H48O6 456.345089 NA MeJP NA NA +MJ066833 Fluvirucin B; Fluvirucin B3 C25H48N2O5 456.356322 NA MeJP NA NA +C08619 Betulinic acid C30H48O3 456.3603 NA KEGG NA NA +C08623 alpha-Elemolic acid C30H48O3 456.3603 NA KEGG NA NA +C08988 Ursolic acid C30H48O3 456.3603 NA KEGG NA NA +C17148 Oleanolic acid C30H48O3 456.3603 NA KEGG NA NA +C17420 Soyasapogenol E C30H48O3 456.3603 NA KEGG NA NA +MJ066834 1,11-Dihydroxy-12-ursen-3-one C30H48O3 456.360345 NA MeJP NA NA +MJ066835 1,11-Dihydroxy-18-oleanen-3-one C30H48O3 456.360345 NA MeJP NA NA +MJ066836 1,11-Dihydroxy-20(29)-lupen-3-one C30H48O3 456.360345 NA MeJP NA NA +MJ066837 1,28-Dihydroxy-20(29)-lupen-3-one C30H48O3 456.360345 NA MeJP NA NA +MJ066838 11,13(18)-Oleanadiene-3,16,28-triol C30H48O3 456.360345 NA MeJP NA NA +MJ066839 11,13(18)-Oleanadiene-3,23,28-triol C30H48O3 456.360345 NA MeJP NA NA +MJ066840 11,13-Oleanadiene-3,22,24-triol C30H48O3 456.360345 NA MeJP NA NA +MJ066841 12,15-Oleanadiene-3,22,28-triol C30H48O3 456.360345 NA MeJP NA NA +MJ066842 12,20(29)-Lupadiene-3,27,28-triol C30H48O3 456.360345 NA MeJP NA NA +MJ066843 12-Hydroxy-3,7-friedelanedione; 12?-form C30H48O3 456.360345 NA MeJP NA NA +MJ066844 12-Lupene-3,28-diol, 28-Carboxylic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066845 12-Oleanene-3,22,24-triol, 22-Ketone C30H48O3 456.360345 NA MeJP NA NA +MJ066846 12-Oleanene-3,22,24-triol, 24-Aldehyde C30H48O3 456.360345 NA MeJP NA NA +MJ066847 12-Oleanene-3,22,24-triol, 3-Ketone C30H48O3 456.360345 NA MeJP NA NA +MJ066848 12-Oleanene-3,24-diol; 3?-form, 24-Carboxylic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066849 12-Oleanene-3,28,29-triol, 3-Ketone C30H48O3 456.360345 NA MeJP NA NA +MJ066850 12-Ursene-3,27-diol, 27-Carboxylic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066851 12-Ursene-3,29-diol, 29-Carboxylic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066852 13,28-Epoxy-11-oleanene-3,16-diol C30H48O3 456.360345 NA MeJP NA NA +MJ066853 13,28-Epoxy-3,16-oleananediol, 16-Ketone C30H48O3 456.360345 NA MeJP NA NA +MJ066854 14,26-Epoxy-21-hydroxy-3-serratanone C30H48O3 456.360345 NA MeJP NA NA +MJ066855 15,28-Dihydroxy-20(29)-lupen-3-one; 15?-form C30H48O3 456.360345 NA MeJP NA NA +MJ066856 15-Hydroxy-1,3-friedelanedione; 15?-form C30H48O3 456.360345 NA MeJP NA NA +MJ066857 16,23-Dihydroxycycloart-24-en-3-one C30H48O3 456.360345 NA MeJP NA NA +MJ066858 16,24-Epoxy-25-hydroxycycloartan-3-one C30H48O3 456.360345 NA MeJP NA NA +MJ066859 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Undecanoyl C30H48O3 456.360345 NA MeJP NA NA +MJ066860 17-Hydroxyestr-4-en-3-one; 17?-form, Dodecanoyl C30H48O3 456.360345 NA MeJP NA NA +MJ066861 18-Hydroperoxy-12-oleanen-3-one; 18?-form C30H48O3 456.360345 NA MeJP NA NA +MJ066862 20(29)-Lupene-3,23,28-triol, 28-Aldehyde C30H48O3 456.360345 NA MeJP NA NA +MJ066863 20(29)-Lupene-3,27-diol, 27-Carboxylic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066864 20(29)-Lupene-3,27-diol; 3?-form, 27-Carboxylic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066865 20(30)-Lupene-3,28,29-triol, 3-Ketone C30H48O3 456.360345 NA MeJP NA NA +MJ066866 20,24-Epoxy-3,4-seco-4(28),25-dammaradien-3-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066867 20,29-Epoxy-22-hydroxy-3-lupanone C30H48O3 456.360345 NA MeJP NA NA +MJ066868 21,23-Epoxycycloart-24-ene-3,21-diol C30H48O3 456.360345 NA MeJP NA NA +MJ066869 21,24-Dihydroxycycloart-25-en-3-one C30H48O3 456.360345 NA MeJP NA NA +MJ066870 21,24-Epoxy-25-hydroxytirucall-7-en-3-one C30H48O3 456.360345 NA MeJP NA NA +MJ066871 21,26-Dihydroxy-3-friedelanone; 21?-form, 21-Ketone C30H48O3 456.360345 NA MeJP NA NA +MJ066872 21-Hydroxy-3-oxo-25-friedelanal; 21?-form C30H48O3 456.360345 NA MeJP NA NA +MJ066873 22,25-Dihydroxytirucalla-7,23-dien-3-one C30H48O3 456.360345 NA MeJP NA NA +MJ066874 23,26-Dihydroxy-7,24-tirucalladien-3-one C30H48O3 456.360345 NA MeJP NA NA +MJ066875 24,25-Epoxy-16-hydroxycycloartan-3-one C30H48O3 456.360345 NA MeJP NA NA +MJ066876 24,25-Epoxy-23-hydroxyprotost-13(17)-en-3-one C30H48O3 456.360345 NA MeJP NA NA +MJ066877 24,25-Epoxylanosta-7,9(11)-diene-3,26-diol C30H48O3 456.360345 NA MeJP NA NA +MJ066878 24,25-Epoxytirucall-7-ene-3,23-diol, 3-Ketone C30H48O3 456.360345 NA MeJP NA NA +MJ066879 25,28-Dihydroxy-3-friedelanone; 28-Aldehyde C30H48O3 456.360345 NA MeJP NA NA +MJ066880 25-Hydroxy-3-friedelanone; 25-Carboxylic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066881 26-Hydroxy-1,3-friedelanedione C30H48O3 456.360345 NA MeJP NA NA +MJ066882 27-Hydroxy-3,12-friedelanedione C30H48O3 456.360345 NA MeJP NA NA +MJ066883 28,30-Epoxy-28-hydroxy-3-friedelanone C30H48O3 456.360345 NA MeJP NA NA +MJ066884 28-Hydroxy-1,3-friedelanedione C30H48O3 456.360345 NA MeJP NA NA +MJ066885 3,11-Dihydroxy-12-oleanen-28-oic acid, 11-Ketone, 28-alcohol C30H48O3 456.360345 NA MeJP NA NA +MJ066886 3,11-Dihydroxy-24-methylene-29-norlanost-8-en-7-one C30H48O3 456.360345 NA MeJP NA NA +MJ066887 3,11-Dihydroxy-8-fernen-7-one C30H48O3 456.360345 NA MeJP NA NA +MJ066888 3,12-Dihydroxy-28-oleananoic acid, 28?12 Lactone C30H48O3 456.360345 NA MeJP NA NA +MJ066889 3,12-Dihydroxy-28-ursanoic acid, 28?12 Lactone C30H48O3 456.360345 NA MeJP NA NA +MJ066890 3,13-Dihydroxy-28-lupanoic acid, 28?13 Lactone C30H48O3 456.360345 NA MeJP NA NA +MJ066891 3,13-Dihydroxy-28-oleananoic acid, 28?13 Lactone C30H48O3 456.360345 NA MeJP NA NA +MJ066892 3,13-Dihydroxy-28-ursanoic acid, 28?13 Lactone C30H48O3 456.360345 NA MeJP NA NA +MJ066893 3,15-Dihydroxy-27-friedelanoic acid, 27?15 Lactone C30H48O3 456.360345 NA MeJP NA NA +MJ066894 3,16-Dihydroxy-12-oleanen-15-one C30H48O3 456.360345 NA MeJP NA NA +MJ066895 3,16-Dihydroxy-8-fernen-11-one C30H48O3 456.360345 NA MeJP NA NA +MJ066896 3,19-Dihydroxy-20(29)-lupen-12-one C30H48O3 456.360345 NA MeJP NA NA +MJ066897 3,19-Dihydroxy-28-oleananoic acid, 28?19 Lactone C30H48O3 456.360345 NA MeJP NA NA +MJ066898 3,20,28-Taraxastanetriol, 28-Carboxylic acid, 28?20 lactone C30H48O3 456.360345 NA MeJP NA NA +MJ066899 3,21-Dihydroxy-14-serraten-16-one C30H48O3 456.360345 NA MeJP NA NA +MJ066900 3,21-Dihydroxy-28-oleananoic acid, 28?21 Lactone C30H48O3 456.360345 NA MeJP NA NA +MJ066901 3,22-Dihydroxy-13(18)-oleanen-11-one C30H48O3 456.360345 NA MeJP NA NA +MJ066902 3,22-Dihydroxy-25-stictanoic acid, 25?3-Lactone C30H48O3 456.360345 NA MeJP NA NA +MJ066903 3,22-Dihydroxy-7,24-tirucalladien-23-one C30H48O3 456.360345 NA MeJP NA NA +MJ066904 3,22-Dihydroxylanosta-8,24-dien-7-one C30H48O3 456.360345 NA MeJP NA NA +MJ066905 3,28-Friedelanediol; 3?-form, 3-Ketone, 28-carboxylic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066906 3,29-Dihydroxy-9(11)-multifloren-7-one; 3?-form C30H48O3 456.360345 NA MeJP NA NA +MJ066907 3,29-Friedelanediol, 3-Ketone, 29-carboxylic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066908 3,30-Dihydroxy-20(29)-lupen-28-oic acid, 28-Alcohol, 29-aldehyde C30H48O3 456.360345 NA MeJP NA NA +MJ066909 3,30-Friedelanediol; 3?-form, 30-Carboxylic acid, 3-ketone C30H48O3 456.360345 NA MeJP NA NA +MJ066910 3,7-Dihydroxy-24-methylene-29-norlanost-8-en-11-one C30H48O3 456.360345 NA MeJP NA NA +MJ066911 3,7-Dihydroxy-8-fernen-11-one C30H48O3 456.360345 NA MeJP NA NA +MJ066912 3,7-Dihydroxylanosta-8,24-dien-26-oic acid, 3-Epimer, 7-deoxy C30H48O3 456.360345 NA MeJP NA NA +MJ066913 3,9-Dihydroxy-20(29)-lupen-7-one C30H48O3 456.360345 NA MeJP NA NA +MJ066914 3-Hydroxy-1-oxo-12-oleanen-28-oic acid, 28-Alcohol C30H48O3 456.360345 NA MeJP NA NA +MJ066915 3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 30-Alcohol C30H48O3 456.360345 NA MeJP NA NA +MJ066916 3-Hydroxy-12-oleanen-27-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066917 3-Hydroxy-12-oleanen-28-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066918 3-Hydroxy-12-oleanen-29-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066919 3-Hydroxy-12-oleanen-30-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066920 3-Hydroxy-12-taraxasten-28-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066921 3-Hydroxy-12-ursen-23-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066922 3-Hydroxy-12-ursen-28-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066923 3-Hydroxy-13(18)-oleanen-24-oic acid; 3?-form C30H48O3 456.360345 NA MeJP NA NA +MJ066924 3-Hydroxy-14-taraxeren-28-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066925 3-Hydroxy-18-oleanen-28-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066926 3-Hydroxy-18-ursen-27-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066927 3-Hydroxy-18-ursen-28-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066928 3-Hydroxy-20(29)-lupen-28-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066929 3-Hydroxy-22(29)-hopen-23-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066930 3-Hydroxy-22(29)-hopen-24-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066931 3-Hydroxy-27-friedelanal; 3?-form, 3-Ketone, 27-carboxylic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066932 3-Hydroxy-5-ursen-28-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066933 3-Hydroxy-7-bauren-27-oic acid; 3?-form C30H48O3 456.360345 NA MeJP NA NA +MJ066934 3-Hydroxy-7-bauren-28-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066935 3-Hydroxy-7-multifloren-29-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066936 3-Hydroxy-8-multifloren-29-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066937 3-Hydroxy-8-multifloren-30-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066938 3-Hydroxycucurbit-5-ene-11,24-dione C30H48O3 456.360345 NA MeJP NA NA +MJ066939 3-Hydroxycucurbita-5,24-dien-26-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066940 3-Hydroxycycloart-24-en-26-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066941 3-Hydroxycycloartan-21-oic acid; 3?-form, 3-Ketone C30H48O3 456.360345 NA MeJP NA NA +MJ066942 3-Hydroxycycloartan-26,23-olide C30H48O3 456.360345 NA MeJP NA NA +MJ066943 3-Hydroxyeupha-7,24-dien-26-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066944 3-Hydroxylanost-8-en-26,22-olide C30H48O3 456.360345 NA MeJP NA NA +MJ066945 3-Hydroxylanost-8-ene-7,11-dione C30H48O3 456.360345 NA MeJP NA NA +MJ066946 3-Hydroxylanosta-8,24-dien-26-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066947 3-Hydroxylanosta-8,24-dien-30-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066948 3-Hydroxylanosta-9(11),24-dien-26-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066949 3-Hydroxytirucalla-7,24-dien-21-oic acid; 3?-form C30H48O3 456.360345 NA MeJP NA NA +MJ066950 3-Hydroxytirucalla-7,24-dien-26-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066951 3-Hydroxytirucalla-8,24-dien-21-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066952 3-Hydroxytirucalla-8,24-dien-26-oic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066953 5,12-Oleanadiene-2,3,23-triol C30H48O3 456.360345 NA MeJP NA NA +MJ066954 5,19-Epoxycucurbita-6,23-diene-3,25-diol C30H48O3 456.360345 NA MeJP NA NA +MJ066955 5-Glutinene-3,29-diol, 29-Carboxylic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066956 5-Hydroxy-20(29)-lupen-28-oic acid; 5?-form C30H48O3 456.360345 NA MeJP NA NA +MJ066957 6,21-Dihydroxy-3-friedelanone, 21-Ketone C30H48O3 456.360345 NA MeJP NA NA +MJ066958 6,26-Dihydroxy-20,24-dammaradien-3-one C30H48O3 456.360345 NA MeJP NA NA +MJ066959 6,28-Dihydroxy-20(29)-lupen-3-one C30H48O3 456.360345 NA MeJP NA NA +MJ066960 6-Hydroxy-22(30)-hopen-29-oic acid; 6?-form C30H48O3 456.360345 NA MeJP NA NA +MJ066961 7,23-Dihydroxytirucalla-8,24-dien-3-one C30H48O3 456.360345 NA MeJP NA NA +MJ066962 7,9(11)-Fernadiene-3,16,19-triol C30H48O3 456.360345 NA MeJP NA NA +MJ066963 7-Hydroxy-1,3-friedelanedione; 7?-form C30H48O3 456.360345 NA MeJP NA NA +MJ066964 9(11),12-Oleanadiene-3,16,28-triol C30H48O3 456.360345 NA MeJP NA NA +MJ066965 9(11),12-Oleanadiene-3,21,29-triol C30H48O3 456.360345 NA MeJP NA NA +MJ066966 Bourjotinolone B C30H48O3 456.360345 NA MeJP NA NA +MJ066967 Coronarin F C30H48O3 456.360345 NA MeJP NA NA +MJ066968 Cucurbita-5,24-diene-3,11,26-triol, 11-Ketone C30H48O3 456.360345 NA MeJP NA NA +MJ066969 Cycloart-23-ene-3,25-diol, 25-Hydroperoxide, 3-ketone C30H48O3 456.360345 NA MeJP NA NA +MJ066970 Cycloart-24-ene-3,16,22-triol, 3-Ketone C30H48O3 456.360345 NA MeJP NA NA +MJ066971 Cycloart-24-ene-3,21-diol, 21-Carboxylic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066972 Cycloart-24-ene-3,22,23-triol, 3-Ketone C30H48O3 456.360345 NA MeJP NA NA +MJ066973 Echinodol; 3-Epimer, O-de-Ac C30H48O3 456.360345 NA MeJP NA NA +MJ066974 Eupha-7,24-diene-3,21,26-triol, 21-Aldehyde C30H48O3 456.360345 NA MeJP NA NA +MJ066975 Flindissol C30H48O3 456.360345 NA MeJP NA NA +MJ066976 Gynogenin II C30H48O3 456.360345 NA MeJP NA NA +MJ066977 Holost-9(11)-en-3-ol C30H48O3 456.360345 NA MeJP NA NA +MJ066978 Iridogermanal; 21-Deoxy, 16,17-didehydro C30H48O3 456.360345 NA MeJP NA NA +MJ066979 Iridogermanal; 21-Deoxy, 17,29-didehydro(17E) C30H48O3 456.360345 NA MeJP NA NA +MJ066980 Isoargentatin B C30H48O3 456.360345 NA MeJP NA NA +MJ066981 Lanost-8,24-diene-3,21-diol, 21-Carboxylic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066982 Lanost-8,24-diene-3,21-diol; 3?-form, 21-Carboxylic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066983 Lanosta-7,9(11),24-triene-3,15,21-triol C30H48O3 456.360345 NA MeJP NA NA +MJ066984 Lanosta-7,9(11),24-triene-3,26,27-triol C30H48O3 456.360345 NA MeJP NA NA +MJ066985 Lanosta-7,9(11)-diene-3,24,25-triol, 3-Ketone C30H48O3 456.360345 NA MeJP NA NA +MJ066986 Ovalifoliolide A C30H48O3 456.360345 NA MeJP NA NA +MJ066987 Perenniporiol; 15-Deacetoxy, 7,11-dihydro C30H48O3 456.360345 NA MeJP NA NA +MJ066988 Pterosin B, O-Hexadecanoyl C30H48O3 456.360345 NA MeJP NA NA +MJ066989 Rhoiptelic acid C30H48O3 456.360345 NA MeJP NA NA +MJ066990 Sodwanone Q C30H48O3 456.360345 NA MeJP NA NA +MJ066991 Stigmasta-5,25-diene-3,7-diol, 7-Formyl C30H48O3 456.360345 NA MeJP NA NA +MJ066992 Tirucalla-7,24-diene-3,21,23-triol, 3-Ketone C30H48O3 456.360345 NA MeJP NA NA +MetaCyc03621 4,4-dimethyl-14α-formyl-5α-cholesta-8,24-dien-3β,15α-diol [] C30H48O3 456.360345 NA metacyc NA NA +HMDB02364 Oleanolic acid C30H48O3 456.36035 http://www.hmdb.ca/metabolites/HMDB02364 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02705 Testosterone undecanoate C30H48O3 456.36035 http://www.hmdb.ca/metabolites/HMDB02705 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02364 Oleanolic acid C30H48O3 456.36035 http://www.hmdb.ca/metabolites/HMDB02364 HMDB NA NA +HMDB02388 Boswellic acid C30H48O3 456.36035 http://www.hmdb.ca/metabolites/HMDB02388 HMDB NA NA +HMDB02395 Ursolic acid C30H48O3 456.36035 http://www.hmdb.ca/metabolites/HMDB02395 HMDB NA NA +HMDB02705 Testosterone undecanoate C30H48O3 456.36035 http://www.hmdb.ca/metabolites/HMDB02705 HMDB NA NA +HMDB02364 Oleanolic acid C30H48O3 456.36035 http://www.hmdb.ca/metabolites/HMDB02364 PFEM_hmdb_metabocards_blood NA blood +HMDB02705 Testosterone undecanoate C30H48O3 456.36035 http://www.hmdb.ca/metabolites/HMDB02705 PFEM_hmdb_metabocards_blood NA blood +HMDB02364 Oleanolic acid C30H48O3 456.36035 HMDB02364 PFEM_hmdb_metabocards_official NA NA +HMDB02388 Boswellic acid C30H48O3 456.36035 HMDB02388 PFEM_hmdb_metabocards_official NA NA +HMDB02395 Ursolic acid C30H48O3 456.36035 HMDB02395 PFEM_hmdb_metabocards_official NA NA +HMDB02705 Testosterone undecanoate C30H48O3 456.36035 HMDB02705 PFEM_hmdb_metabocards_official NA NA +HMDB02364 Oleanolic acid C30H48O3 456.360352 NA HMDB2010 NA NA +HMDB02388 Boswellic acid C30H48O3 456.360352 NA HMDB2010 NA NA +HMDB02395 Ursolic acid C30H48O3 456.360352 NA HMDB2010 NA NA +MJ066993 3-Aminosolanidan-23-ol, N-Ac C29H48N2O2 456.371578 NA MeJP NA NA +MJ066994 5-(23-Cyano-23-hydroxy-6-tricosenyl)-2-pyrrolecarboxaldehyde C29H48N2O2 456.371578 NA MeJP NA NA +MJ066995 Pachysantermine A C29H48N2O2 456.371578 NA MeJP NA NA +MJ066996 Pachystermine A C29H48N2O2 456.371578 NA MeJP NA NA +MJ066997 1-Docosanol; Cinnamoyl C31H52O2 456.39673 NA MeJP NA NA +MJ066998 12-Oleanene-3,11-diol, 11-Me ether C31H52O2 456.39673 NA MeJP NA NA +MJ066999 12-Ursene-3,11-diol, 11-Me ether C31H52O2 456.39673 NA MeJP NA NA +MJ067000 13,16,19,22,25-Hentriacontapentaenoic acid C31H52O2 456.39673 NA MeJP NA NA +MJ067001 13-Serratene-3,21-diol, 3-Me ether C31H52O2 456.39673 NA MeJP NA NA +MJ067002 14-Serratene-3,21-diol, 21-Me ether C31H52O2 456.39673 NA MeJP NA NA +MJ067003 14-Serratene-3,21-diol, 3-Me ether C31H52O2 456.39673 NA MeJP NA NA +MJ067004 14-Serratene-3,21-diol; (3?,21?)-fororm, 3-Me ether C31H52O2 456.39673 NA MeJP NA NA +MJ067005 14-Serratene-3,21-diol, 3-Me ether C31H52O2 456.39673 NA MeJP NA NA +MJ067006 20(29)-Lupene-2,3-diol, 2-Me ether C31H52O2 456.39673 NA MeJP NA NA +MJ067007 20,24-Epoxy-24-methyldammaran-3-ol, 3-Ketone C31H52O2 456.39673 NA MeJP NA NA +MJ067008 20-Hydroxy-24-methylenedammaran-3-one C31H52O2 456.39673 NA MeJP NA NA +MJ067009 21,24-Epoxy-24-methyllanost-9(11)-en-3-ol C31H52O2 456.39673 NA MeJP NA NA +MJ067010 24-Isopropenyl-25-methylcholesta-5,22-diene-3,7-diol, 22,23-Dihydro C31H52O2 456.39673 NA MeJP NA NA +MJ067011 24-Methylcycloart-7-ene-3,20-diol C31H52O2 456.39673 NA MeJP NA NA +MJ067012 24-Methylenecycloartane-3,20-diol C31H52O2 456.39673 NA MeJP NA NA +MJ067013 24-Methylenecycloartane-3,21-diol C31H52O2 456.39673 NA MeJP NA NA +MJ067014 24-Methylenelanost-8-ene-3,21-diol C31H52O2 456.39673 NA MeJP NA NA +MJ067015 24-Methylenelanost-8-ene-3,22-diol C31H52O2 456.39673 NA MeJP NA NA +MJ067016 29-Norcycloartan-3-ol, Ac C31H52O2 456.39673 NA MeJP NA NA +MJ067017 3,4-Seco-4(23)-friedelen-3-oic acid; Me ester C31H52O2 456.39673 NA MeJP NA NA +MJ067018 4-Methylenestigmast-8(14)-ene-3,7-diol, 7-Me ether C31H52O2 456.39673 NA MeJP NA NA +MJ067019 Canaric acid; 4,23-Dihydro, Me ester C31H52O2 456.39673 NA MeJP NA NA +MJ067020 Corollatadiol C31H52O2 456.39673 NA MeJP NA NA +MJ067021 Cycloart-23-ene-3,25-diol, 25-Me ether C31H52O2 456.39673 NA MeJP NA NA +MJ067022 Cyclomahogenol C31H52O2 456.39673 NA MeJP NA NA +MJ067023 Lanosta-9(11),25-diene-3,24-diol, 3-Me ether C31H52O2 456.39673 NA MeJP NA NA +MJ067024 Nyctanthic acid; 4,23-Dihydro, Me ester C31H52O2 456.39673 NA MeJP NA NA +MJ067025 Ortonacetal C31H52O2 456.39673 NA MeJP NA NA +MJ067026 Roburic acid; 4,23-Dihydro, Me ester C31H52O2 456.39673 NA MeJP NA NA +MJ067027 Stigmast-5-en-3-ol, Ac C31H52O2 456.39673 NA MeJP NA NA +MJ067028 Pregnane-3,20-diamine, N20,N20-Di-Me, N3-(3,4-dimethyl-2-pentenoyl)(E-) C30H52N2O 456.407964 NA MeJP NA NA +MJ067029 6-Hydroxy-6-methyl-9-oxooctacosanoic acid C28H56O4 456.41786 NA MeJP NA NA +MJ067030 24,24-Dimethylcycloartan-3-ol C32H56O 456.433116 NA MeJP NA NA +MJ067031 3,17-Dimethyl-29-hopanol C32H56O 456.433116 NA MeJP NA NA +MJ067032 Sacredicene A C33H60 456.469501 NA MeJP NA NA +MJ067033 Sacredicene B C33H60 456.469501 NA MeJP NA NA +MJ067034 Convolutamine A C13H18Br3NO2 456.888766 NA MeJP NA NA +HMDB00652 Chondroitin 4-sulfate C14H19NO14S 457.05264 http://www.hmdb.ca/metabolites/HMDB00652 HMDB NA NA +HMDB00652 Chondroitin 4-sulfate C14H19NO14S 457.05264 HMDB00652 PFEM_hmdb_metabocards_official NA NA +MJ067035 Sporidesmin; 11-Deoxy C18H20ClN3O5S2 457.053289 NA MeJP NA NA +MJ067036 Toltrazuril; S,S-Dioxide C18H14F3N3O6S 457.05554 NA MeJP NA NA +MJ067037 Lamellarin H C25H15NO8 457.079766 NA MeJP NA NA +EUR444 Flavine Mononucleotide F2 F2 457.110975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR444 Flavine Mononucleotide F2 NA 457.110975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR444 Flavine Mononucleotide F2 F2 457.110975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR444 Flavine Mononucleotide F2 NA 457.110975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR444 Flavine Mononucleotide F2 F2 457.110975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR444 Flavine Mononucleotide F2 NA 457.110975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR444 Flavine Mononucleotide F2 F2 457.110975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR444 Flavine Mononucléotide F2 F2 457.110975 standards wishlist analysés sur QTOF HMDB NA NA +EUR444 Flavine Mononucleotide F2 F2 457.110975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR444 Flavine Mononucleotide F2 NA 457.110975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR444 Flavine Mononucleotide F2 F2 457.110975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR444 Flavine Mononucleotide F2 F2 457.110975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ067038 1,2,9-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Di-Me ether, N-?-D-glucopyranosyl C23H23NO9 457.137281 NA MeJP NA NA +MJ067039 2-Hydroxy-2-phenylacetonitrile, O-[3,4-Dihydroxy-E-cinnamoyl-(?4)-?-D-glucopyranoside] C23H23NO9 457.137281 NA MeJP NA NA +MJ067040 2-Hydroxy-2-phenylacetonitrile, O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C23H23NO9 457.137281 NA MeJP NA NA +MJ067041 Caldiamide C16H26CaN5O8(-) 457.148553 NA MeJP NA NA +MJ067042 Lamellarin O C27H23NO6 457.152537 NA MeJP NA NA +C15104 LY-202769 C27H24ClN3O2 457.1557 NA KEGG NA NA +C08325 Amygdalin C20H27NO11 457.1584 NA KEGG NA NA +MJ067043 1H-Indol-3-ol; OH-form, O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C20H27NO11 457.15841 NA MeJP NA NA +MJ067044 2-Hydroxy-2-phenylacetonitrile, O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C20H27NO11 457.15841 NA MeJP NA NA +MJ067045 2-Hydroxy-2-phenylacetonitrile, O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C20H27NO11 457.15841 NA MeJP NA NA +MetaCyc03622 (R)-amygdalin [(R)-amygdaloside;(R)-laenitrile;amygdalin;(R)-α-((6-O-β-D-glucopyranosyl-β-D- glucopyranosyl)oxy)benzeneacetonitrile;D(-)-mandelonitrile-β-D-gentiobioside;D-amygdalin;D-mandelonitrile-β-D-glucosido-6-β-D-glucoside;vitamin B17;mandelonitrile-β-gentiobioside;] C20H27N1O11 457.158411 29883-15-6 metacyc NA NA +MJ067046 Antibiotic K 252c; N13-(?-L-Rhamnopyranosyl) C26H23N3O5 457.16377 NA MeJP NA NA +MJ067047 5,10-Methylenetetrahydrofolate C20H23N7O6 457.170981 NA MeJP NA NA +MJ067048 Chryscandin C20H23N7O6 457.170981 NA MeJP NA NA +MetaCyc03623 5,10-methylene-THF [5,10-methylenetetrahydrofolate;N5,N10-methylenetetrahydrofolate;] C20H23N7O6 457.170982 NA metacyc NA NA +HMDB01533 5,10-Methylene-THF C20H23N7O6 457.17099 http://www.hmdb.ca/metabolites/HMDB01533 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01533 5,10-Methylene-THF C20H23N7O6 457.17099 http://www.hmdb.ca/metabolites/HMDB01533 HMDB NA NA +HMDB06486 5-Methyldihydrofolic acid C20H23N7O6 457.17099 http://www.hmdb.ca/metabolites/HMDB06486 HMDB NA NA +HMDB01533 5,10-Methylene-THF C20H23N7O6 457.17099 http://www.hmdb.ca/metabolites/HMDB01533 PFEM_hmdb_metabocards_blood NA blood +HMDB01533 5,10-Methylene-THF C20H23N7O6 457.17099 HMDB01533 PFEM_hmdb_metabocards_official NA NA +HMDB06486 5-Methyldihydrofolic acid C20H23N7O6 457.17099 HMDB06486 PFEM_hmdb_metabocards_official NA NA +HMDB01533 5,10-Methylene-THF C20H23N7O6 457.17099 NA HMDB2010 NA NA +HMDB06486 5-Methyldihydrofolic acid C20H23N7O6 457.17099 NA HMDB2010 NA NA +C00143 5,10-Methylenetetrahydrofolate C20H23N7O6 457.171 NA KEGG NA NA +MJ067049 Medermycin C24H27NO8 457.173666 NA MeJP NA NA +MJ067050 N-Methyloxohydrasteine; Et ester C24H27NO8 457.173666 NA MeJP NA NA +MJ067051 Narcotinediol; ?-Ac, 2'-aldehyde C24H27NO8 457.173666 NA MeJP NA NA +C12437 Medermycin C24H27NO8 457.1737 NA KEGG NA NA +PJ001807 GNMH C17H27N7O6S 457.1744 NA PeJP NA NA +MJ067052 3-(3-Ethoxy-1,3-dioxo-2-phenylpropoxy)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane; Methyl sulfate C21H31NO8S 457.177037 NA MeJP NA NA +C07225 Minocycline C23H27N3O7 457.1849 NA KEGG NA NA +C07226 Transferred to D00418 C23H27N3O7 457.1849 NA KEGG NA NA +C07227 Transferred to D00419 C23H27N3O7 457.1849 NA KEGG NA NA +MJ067053 Minocycline C23H27N3O7 457.1849 NA MeJP NA NA +PJ001808 EFY C23H27N3O7 457.1849 NA PeJP NA NA +MJ067054 Azimilide C23H28ClN5O3 457.188067 NA MeJP NA NA +C13777 Azimilide C23H28ClN5O3 457.1881 NA KEGG NA NA +MJ067055 Antibiotic OA 6129B1; 6-Deoxy C20H31N3O7S 457.188271 NA MeJP NA NA +PJ001809 SSQH C17H27N7O8 457.1921 NA PeJP NA NA +PJ001810 GGGGGGP C17H27N7O8 457.1922 NA PeJP NA NA +PJ001811 PPNM C19H31N5O6S 457.1995 NA PeJP NA NA +MetaCyc03624 O-demethylpuromycin [2-amino-N-[5-[(6-dimethylamino-9H-purin-9-yl)]-4-hydroxy-2- (hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-hydroxyphenyl)- propanamid;] C21H27N7O5 457.207367 NA metacyc NA NA +C02864 O-Demethylpuromycin C21H27N7O5 457.2074 NA KEGG NA NA +C02866 O-Sinapoylglucarate C21H27N7O5 457.2074 NA KEGG NA NA +C02867 Oligoribonucleotide C10H17O10PR2 457.2074 NA KEGG NA NA +7940 synthetic peptide YYI 457.21 antioxidative Inhouse_peptide NA peptide +7941 synthetic peptide YYL 457.21 antioxidative Inhouse_peptide NA peptide +7954 synthetic peptide IYY 457.21 antioxidative Inhouse_peptide NA peptide +7955 synthetic peptide LYY 457.21 antioxidative Inhouse_peptide NA peptide +7958 synthetic peptide YIY 457.21 antioxidative Inhouse_peptide NA peptide +7959 synthetic peptide YLY 457.21 antioxidative Inhouse_peptide NA peptide +PJ001812 ACKH C18H31N7O5S 457.2108 NA PeJP NA NA +MJ067056 Qingjingmycin A C19H31N5O8 457.217262 NA MeJP NA NA +PJ001813 PVNE C19H31N5O8 457.2173 NA PeJP NA NA +CJpos0797 Hydroxyretinoic Glucuronide (and isomers) [(M+H)-2(H2O)]+ (13C) C2513CH33O7 457.217575 C18rt(min)=8.95 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0797 Hydroxyretinoic Glucuronide (and isomers) [(M+H)-2(H2O)]+ (13C) C2513CH33O7 457.217575 C18rt(min)=8.95 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ067057 Antibiotic DC 105 C24H31N3O6 457.221285 NA MeJP NA NA +MJ067058 Diperdipine C24H31N3O6 457.221285 NA MeJP NA NA +PJ001814 LYY C24H31N3O6 457.2213 NA PeJP NA NA +PJ001815 GPER C18H31N7O7 457.2285 NA PeJP NA NA +MJ067059 12-Seco-14-deoxyparsonsianine; Me ester C22H35NO9 457.231181 NA MeJP NA NA +MJ067060 Lithosenine; O3''-Ac C22H35NO9 457.231181 NA MeJP NA NA +8048 synthetic peptide PWR 457.232 antioxidative Inhouse_peptide NA peptide +PJ001816 GPVW C23H31N5O5 457.2325 NA PeJP NA NA +3288 NA LGGAKQAGDV 457.23395 MH2+ Inhouse_peptide NA peptide +PJ001817 PRW C22H31N7O4 457.2438 NA PeJP NA NA +MJ067061 Antibiotic TAN 1813 C26H35NO6 457.246437 NA MeJP NA NA +MJ067062 Cardionine; 11-Ac C26H35NO6 457.246437 NA MeJP NA NA +MJ067063 Hetisan-2,11,13,14-tetrol, O2-(2-Methylpropanoyl), O13-Ac C26H35NO6 457.246437 NA MeJP NA NA +MJ067064 Lactimidomycin C26H35NO6 457.246437 NA MeJP NA NA +MJ067065 Mycotrienol II C26H35NO6 457.246437 NA MeJP NA NA +MJ067066 Spiramide C26H35NO6 457.246437 NA MeJP NA NA +MJ067067 Spiramine Y; 22-Ac C26H35NO6 457.246437 NA MeJP NA NA +MJ067068 ?-Lipomycin; Aglycone C26H35NO6 457.246437 NA MeJP NA NA +8309 ACE inhibitor VRSP 457.253 NA ;SYN:Homo-L-arginine; Homoarginine; L-Homoarginine; N6-(Aminoiminomethyl)-L-lysine; N6-amidino-L-Lysine; N6-amidino-LysineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ001818 PVDK C20H35N5O7 457.2537 NA PeJP NA NA +MJ067069 Antibiotic Sch 382582 C22H39N3O5S 457.261042 NA MeJP NA NA +MJ067070 Centchroman C30H35NO3 457.261693 NA MeJP NA NA +MJ067071 N-[2-(3,4-Dimethoxyphenyl)ethyl]-5-methoxy-N,?-dimethyl-2-(phenylethynyl)benzenepropanamine C30H35NO3 457.261693 NA MeJP NA NA +PJ001819 SPVR C19H35N7O6 457.2649 NA PeJP NA NA +MJ067072 Cryptoechinulin G C29H35N3O2 457.272927 NA MeJP NA NA +MJ067073 Tetradehydroechinulin C29H35N3O2 457.272927 NA MeJP NA NA +3623 NA TKPI 457.277 ACE inhibitor Inhouse_peptide NA peptide +MJ067074 Lycoclavine; O-De-Ac, O5-[3-(3,4-dimethoxyphenyl)propanoyl] C27H39NO5 457.282823 NA MeJP NA NA +PJ001820 PTLK C21H39N5O6 457.2901 NA PeJP NA NA +MJ067075 Toripristone C31H39NO2 457.298079 NA MeJP NA NA +PJ001821 GLLR C20H39N7O5 457.3013 NA PeJP NA NA +8104 peptide derived from dried bonito VVKL 457.314 antioxidative Inhouse_peptide NA peptide +MJ067076 Piericidin; Piericidin A3, 10'-Me ether C28H43NO4 457.319208 NA MeJP NA NA +MJ067077 Piericidin; Piericidin A4 C28H43NO4 457.319208 NA MeJP NA NA +PJ001822 VVLK C22H43N5O5 457.3264 NA PeJP NA NA +MJ067078 16,28-Secosolanid-5-ene-3,16-diol, 16-Ac C29H47NO3 457.355594 NA MeJP NA NA +MJ067079 2-Aminobenzoic acid; N-(13Z-Docosenoyl) C29H47NO3 457.355594 NA MeJP NA NA +MJ067080 Gnidinine C29H51N3O 457.403213 NA MeJP NA NA +8108 peptide derived from conger eel muscle (Conger myriaster) LGLNGDDVN 457.7088 MH2+ Inhouse_peptide NA peptide +MJ067081 Kurodainol C10H15Br3Cl2O 457.805008 NA MeJP NA NA +PARAC023 UNKNOWN signif manip paracetamol NA 457.8668 RT0.49 PFEM_hmdb_metabocards_urine NA urine +PARAC023 UNKNOWN signif manip paracetamol NA 457.8668 RT0.49 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC023 UNKNOWN signif manip paracetamol NA 457.8668 RT0.49 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC023 UNKNOWN signif manip paracetamol NA 457.8668 RT0.49 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC023 UNKNOWN signif manip paracetamol NA 457.8668 RT0.49 HMDB NA NA +PARAC023 UNKNOWN signif manip paracetamol NA 457.8668 RT0.49 Inhouse_PFEM NA NA +PARAC023 UNKNOWN signif manip paracetamol NA 457.8668 RT0.49 PFEM_hmdb_metabocards_blood NA blood +PARAC023 UNKNOWN signif manip paracetamol NA 457.8668 RT0.49 PFEM_hmdb_metabocards_official NA NA +MJ067082 Dysideathiazole C13H16Cl6N2OS 457.91145 NA MeJP NA NA +MJ067083 Verongamine; 5-Bromo C15H16Br2N4O3 457.958915 NA MeJP NA NA +MJ067084 Antibiotic TAN 2421A1 C18H12Cl2O8S 457.962993 NA MeJP NA NA +MJ067085 Dysamide A C14H20Cl6N2O2 457.965594 NA MeJP NA NA +MJ067086 N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[2-(1H-1,2,3-triazol-1-yl)ethoxy]-4-quinazolinamine C19H16BrFN6O2 458.050214 NA MeJP NA NA +MJ067087 5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 5-O-(6-O-Malonyl-?-D-glucopyranoside) C18H18O14 458.069655 NA MeJP NA NA +MJ067088 Cefalonium C20H18N4O5S2 458.071861 NA MeJP NA NA +PJ001823 CCCM C14H26N4O5S4 458.0786 NA PeJP NA NA +HMDB03153 Epigallocatechin gallate C22H18O11 458.0849 http://www.hmdb.ca/metabolites/HMDB03153 HMDB NA NA +C09731 Epigallocatechin 3-gallate C22H18O11 458.0849 NA KEGG NA NA +C12379 8-Demethyltetracenomycin C C22H18O11 458.0849 NA KEGG NA NA +HMDB03153 Epigallocatechin gallate C22H18O11 458.0849 HMDB03153 PFEM_hmdb_metabocards_official NA NA +HMDB03153 Epigallocatechin gallate C22H18O11 458.0849 NA HMDB2010 NA NA +FL63AGNS0001 epi-Gallocatechin 3-O-gallate;(-)-Epigallocatechin gallate;(2R-cis)-3,4-Dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester 3,4,5-trihydroxybenzoic acid C22H18O11 458.08491 989-51-5 knapsack NA NA +FL63AGNS0004 Gallocatechin 3-O-gallate C22H18O11 458.08491 5127-64-0 knapsack NA NA +FL63AGNS0007 Epigallocatechin 7-O-gallate C22H18O11 458.08491 96658-18-3 knapsack NA NA +FL63AGNS0008 Gallocatechin 3'-O-gallate C22H18O11 458.08491 142784-33-6 knapsack NA NA +MJ067089 3,3',4',5,5',7-Hexahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) C22H18O11 458.084911 NA MeJP NA NA +MJ067090 3,3',4',5,5',7-Hexahydroxyflavan, 7-O-(3,4,5-Trihydroxybenzoyl) C22H18O11 458.084911 NA MeJP NA NA +MJ067091 3,3',4',5,5',7-Hexahydroxyflavan, 3'-O-(3,4,5-Trihydroxybenzoyl) C22H18O11 458.084911 NA MeJP NA NA +MJ067092 3,3',4',5,5',7-Hexahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) C22H18O11 458.084911 NA MeJP NA NA +MJ067093 3,3',4',5,5',7-Hexahydroxyflavan, 4'-O-(3,4,5-Trihydroxybenzoyl) C22H18O11 458.084911 NA MeJP NA NA +MJ067094 3,3',4,4',5,7-Hexahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) C22H18O11 458.084911 NA MeJP NA NA +MJ067095 Tartaric acid, 2-(3,4-Dihydroxycinnamoyl), 3-(4-hydroxycinnamoyl) C22H18O11 458.084911 NA MeJP NA NA +MJ067096 Tetracenomycin C; 3-O-De-Me C22H18O11 458.084911 NA MeJP NA NA +MJ067097 Dianellinone C26H18O8 458.100167 NA MeJP NA NA +MJ067098 2,4,6-Trihydroxybenzoic acid; 4-O-(2,3,6-Tri-O-acetyl-?-D-glucopyranoside) C19H22O13 458.10604 NA MeJP NA NA +MJ067099 2,4,6-Trihydroxybenzoic acid; 4-O-(3,4,6-Tri-O-acetyl-?-D-glucopyranoside) C19H22O13 458.10604 NA MeJP NA NA +CJpos0798 FMNH [(M+H)]+ C17H24N4O9P 458.119675 C18rt(min)=5.7 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0798 FMNH [(M+H)]+ C17H24N4O9P 458.119675 C18rt(min)=5.7 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MetaCyc03625 FMNH2 [Reduced FMN;reduced flavin mononucleotide;] C17H23N4O9P1 458.120265 67-63-0 metacyc NA NA +HMDB01142 FMNH C17H23N4O9P 458.12027 http://www.hmdb.ca/metabolites/HMDB01142 HMDB NA NA +HMDB01142 FMNH C17H23N4O9P 458.12027 HMDB01142 PFEM_hmdb_metabocards_official NA NA +HMDB01142 FMNH C17H23N4O9P 458.12027 NA HMDB2010 NA NA +C01847 Reduced FMN C17H23N4O9P 458.1203 NA KEGG NA NA +CJneg0610 FMNH [(M-H)]- C17H22N4O9P 458.120825 C18rt(min)=5.7 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0610 FMNH [(M-H)]- C17H22N4O9P 458.120825 C18rt(min)=5.7 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +FL3FA9GS0008 Chrysin 7-(4''-acetylglucoside);7-[(4-O-Acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one C23H22O10 458.12129 674299-89-9 knapsack NA NA +FLIA1ACS0002 Puerarin 6''-acetate C23H22O10 458.12129 124903-94-2 knapsack NA NA +FLIA1AGS0003 Daidzein 6''-O-acetate;6''-O-Acetyldaidzin C23H22O10 458.12129 71385-83-6 knapsack NA NA +MJ067100 1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(2-O-Acetyl-?-L-rhamnopyranoside) C23H22O10 458.121296 NA MeJP NA NA +MJ067101 4',5,7-Trihydroxy-6-(2-hydroxyvinyl)flavone, 2''-O-?-L-Rhamnopyranoside C23H22O10 458.121296 NA MeJP NA NA +MJ067102 4',5-Dihydroxy-3',6,7,8-tetramethoxyflavone; Di-Ac C23H22O10 458.121296 NA MeJP NA NA +MJ067103 4',7-Dihydroxyisoflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) C23H22O10 458.121296 NA MeJP NA NA +MJ067104 Lasiocarpin A; 3,3'-Dihydroxy C23H22O10 458.121296 NA MeJP NA NA +MJ067105 Phrymarolin II C23H22O10 458.121296 NA MeJP NA NA +MJ067106 Puerarin; 6''-O-Ac C23H22O10 458.121296 NA MeJP NA NA +MJ067107 N-[[(9-?-D-Ribofuranosyl-9H-purin-6-yl)amino]carbonyl]threonine; 2-(Methylthio) C16H22N6O8S 458.121982 NA MeJP NA NA +C11372 ICI D1694 C21H22N4O6S 458.126 NA KEGG NA NA +MJ067108 Raltitrexed C21H22N4O6S 458.126005 NA MeJP NA NA +MJ067109 ?-D-Glucopyranuronosyl-(1?4)-?-D-xylopyranosyl-(1?4)-D-xylose C16H26O15 458.12717 NA MeJP NA NA +MJ067110 Isoplagiochin C; 12-Chloro, 7',8'-dihydro C28H23ClO4 458.128486 NA MeJP NA NA +PJ001824 ACCY C18H26N4O6S2 458.1294 NA PeJP NA NA +MJ067111 1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-(3-Chloro-2-hydroxy-2-methylpropanoyl), 13-Ac C21H27ClO9 458.13436 NA MeJP NA NA +MJ067112 3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(3-Chloro-2-hydroxy-2-methylpropanoyl), 3-Ac C21H27ClO9 458.13436 NA MeJP NA NA +MJ067113 Calanone; 3,4-Dihydro, 3?,4?-dihydroxy C27H22O7 458.136553 NA MeJP NA NA +MJ067114 Interruptin G C27H22O7 458.136553 NA MeJP NA NA +PJ001825 PCCH C17H26N6O5S2 458.1406 NA PeJP NA NA +MJ067115 1-O-Coumaroylglycerol, 3'-Hydroxy, 3-Ac, 2-O-?-D-glucopyranoside C20H26O12 458.142426 NA MeJP NA NA +MJ067116 2-O-?-D-Xylopyranosyl-L-arabinose; L-Furanose-form, 5-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) C20H26O12 458.142426 NA MeJP NA NA +MJ067117 3-(4-Hydroxyphenyl)-2-propenoic acid, O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C20H26O12 458.142426 NA MeJP NA NA +MJ067118 3-(4-Hydroxyphenyl)-2-propenoic acid, [?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl] ester C20H26O12 458.142426 NA MeJP NA NA +MJ067119 3-(4-Hydroxyphenyl)-2-propenoic acid, O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C20H26O12 458.142426 NA MeJP NA NA +MJ067120 3-O-?-L-Arabinofuranosyl-D-xylose; ?-Pyranose-form, 2'-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) C20H26O12 458.142426 NA MeJP NA NA +MJ067121 7-Hydroxy-4-methyl-1(3H)-isobenzofuranone; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C20H26O12 458.142426 NA MeJP NA NA +MJ067122 Furomazine C24H27ClN2O3S 458.143091 NA MeJP NA NA +PJ001826 SSCY C18H26N4O8S 458.1471 NA PeJP NA NA +MJ067123 Luteusin E C25H27ClO6 458.149616 NA MeJP NA NA +FLIABBGM0001 7-Hydroxy-5,4'-dimethoxy-8-methylisoflavone 7-O-rhamnoside C24H26O9 458.15768 85541-11-3 knapsack NA NA +MJ067124 15,16-Epoxy-1,11-dihydroxy-2,13(16),14-clerodatriene-17,12:18,19-diolide, Di-Ac C24H26O9 458.157682 NA MeJP NA NA +MJ067125 3,10-Epoxy-8,9,15-trihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 9-(3-Methyl-2-butenoyl), 8-(2-methylpropenoyl) C24H26O9 458.157682 NA MeJP NA NA +MJ067126 3,10-Epoxy-8,9,15-trihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 9-Angeloyl, 8-(2-methylpropenoyl) C24H26O9 458.157682 NA MeJP NA NA +MJ067127 4',5,7-Trihydroxy-8-methylisoflavone; 4',5-Di-Me ether, 7-O-?-L-rhamnopyranoside C24H26O9 458.157682 NA MeJP NA NA +MJ067128 Bipinnatin B; 11,12-Deepoxy(Z-) C24H26O9 458.157682 NA MeJP NA NA +MJ067129 Decursidinol, O,O-Bis(2,3-epoxy-2-methylbutanoyl) C24H26O9 458.157682 NA MeJP NA NA +MJ067130 Glomelliferic acid; 2'''-Oxo, O-de-Me C24H26O9 458.157682 NA MeJP NA NA +MJ067131 Khellactone, Bis-O-(2,3-epoxy-2-methylbutanoyl) C24H26O9 458.157682 NA MeJP NA NA +MJ067132 Moracin P; 3'-O-?-D-Xylopyranoside C24H26O9 458.157682 NA MeJP NA NA +MJ067133 Podorhizol, Ac C24H26O9 458.157682 NA MeJP NA NA +PJ001827 GDMH C17H26N6O7S 458.1584 NA PeJP NA NA +MJ067134 ?-L-Fucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-D-xylose C17H30O14 458.163555 NA MeJP NA NA +MJ067135 ?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-L-arabinose C17H30O14 458.163555 NA MeJP NA NA +MJ067136 5-Formiminotetrahydrofolate C19H22N8O6 458.16623 NA MeJP NA NA +3493 ACE inhibitor from sake YGGY 458.168 ACE inhibitor Inhouse_peptide NA peptide +7947 synthetic peptide YYN 458.1689 ACE inhibitor Inhouse_peptide NA peptide +7965 synthetic peptide NYY 458.1689 antioxidative Inhouse_peptide NA peptide +7968 synthetic peptide YNY 458.1689 antioxidative Inhouse_peptide NA peptide +MJ067137 4-N-Demethyl-4-N-ethyloxytetracycline; 5-Deoxy C23H26N2O8 458.168915 NA MeJP NA NA +MJ067138 Antibiotic CJ 12950 C23H26N2O8 458.168915 NA MeJP NA NA +MJ067139 Valechlorin C22H31ClO8 458.170745 NA MeJP NA NA +MJ067140 Perrottetin E; 10,10'-Dihydroxy C28H26O6 458.172938 NA MeJP NA NA +MJ067141 Perrottetin E; 3',10-Dihydroxy C28H26O6 458.172938 NA MeJP NA NA +MJ067142 Lorglumide C22H32Cl2N2O4 458.173912 NA MeJP NA NA +PJ001828 SSEH C17H26N6O9 458.1761 NA PeJP NA NA +PJ001829 GGPND C17H26N6O9 458.1762 NA PeJP NA NA +MJ067143 2-Methoxy-4-(2-propenyl)phenol; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H30O11 458.178811 NA MeJP NA NA +MJ067144 2-Methoxy-4-(2-propenyl)phenol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C21H30O11 458.178811 NA MeJP NA NA +MJ067145 2-Methoxy-4-(2-propenyl)phenol; O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C21H30O11 458.178811 NA MeJP NA NA +MJ067146 2-Methoxy-4-(2-propenyl)phenol; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C21H30O11 458.178811 NA MeJP NA NA +MJ067147 3,7,15-Trihydroxy-8-scirpenone, 3-O-?-D-Glucopyranoside C21H30O11 458.178811 NA MeJP NA NA +MJ067148 3-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Benzyl glycoside, 2-Ac C21H30O11 458.178811 NA MeJP NA NA +MJ067149 4-(2-Propenyl)-1,2-benzenediol; 1-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C21H30O11 458.178811 NA MeJP NA NA +MJ067150 4-(2-Propenyl)-1,2-benzenediol; 2-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C21H30O11 458.178811 NA MeJP NA NA +MJ067151 4-(2-Propenyl)-1,2-benzenediol; 2-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C21H30O11 458.178811 NA MeJP NA NA +MJ067152 Deacylchelonanthoside; O-(2-Methylbutanoyl) C21H30O11 458.178811 NA MeJP NA NA +PJ001830 NYY C22H26N4O7 458.1802 NA PeJP NA NA +PJ001831 PPDM C19H30N4O7S 458.1835 NA PeJP NA NA +MJ067153 Neotrilobine C27H26N2O5 458.184171 NA MeJP NA NA +EUR258 Ergothioneine F2 F2 458.186775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR258 Ergothioneine F2 NA 458.186775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR258 Ergothioneine F2 F2 458.186775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR258 Ergothioneine F2 NA 458.186775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR258 Ergothioneine F2 F2 458.186775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR258 Ergothioneine F2 NA 458.186775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR258 Ergothioneine F2 F2 458.186775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR258 Ergothionéine F2 F2 458.186775 standards wishlist analysés sur QTOF HMDB NA NA +EUR258 Ergothioneine F2 F2 458.186775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR258 Ergothioneine F2 NA 458.186775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR258 Ergothioneine F2 F2 458.186775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR258 Ergothioneine F2 F2 458.186775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ067154 5-Methyltetrahydrofolate C21H26N6O6 458.191382 NA MeJP NA NA +MJ067155 Fluprostenol C23H29F3O6 458.191623 NA MeJP NA NA +MJ067156 2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-[2-[(2E-Hydroxymethyl-2-butenoyl)oxy]methyl-2E-butenoyl] C25H30O8 458.194067 NA MeJP NA NA +MJ067157 3,3',4,4',9,9'-Hexahydroxylignan, 3,4-Methylene, 3',4'-di-Me ether, 9,9'-di-Ac C25H30O8 458.194067 NA MeJP NA NA +MJ067158 3,4-Epoxy-2,8-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 2-Angeloyl, 8-(2,3-epoxy-2-methylbutanoyl) C25H30O8 458.194067 NA MeJP NA NA +MJ067159 6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1R,2-Epoxide, 6,9-diangeloyl C25H30O8 458.194067 NA MeJP NA NA +MJ067160 8,15-Dihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 8,15-Bis(4-hydroxy-2-methyl-2Z-butenoyl) C25H30O8 458.194067 NA MeJP NA NA +MJ067161 8,15-Dihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 8-(4-Hydroxy-2-methylenebutanoyl), 15-(4-hydroxy-2-methyl-2Z-butenoyl) C25H30O8 458.194067 NA MeJP NA NA +MJ067162 8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 8-[2-[(4-Hydroxy-2-hydroxymethyl-2E-butenoyloxy)methyl]-2E-butenoyl] C25H30O8 458.194067 NA MeJP NA NA +MJ067163 Acerogenin C; ?-D-Glucopyranoside C25H30O8 458.194067 NA MeJP NA NA +MJ067164 Alnusdiol; 11-Deoxy, 9-ketone, 2-O-?-D-glucopyranoside C25H30O8 458.194067 NA MeJP NA NA +MJ067165 Austin; O-De-Ac C25H30O8 458.194067 NA MeJP NA NA +MJ067166 Binankadsurin A; Me ether, 7-Ac C25H30O8 458.194067 NA MeJP NA NA +MJ067167 Colensoic acid; 4-Hydroxy C25H30O8 458.194067 NA MeJP NA NA +MJ067168 Exiguaflavanone G; 8'',9''-Dihydro, 8''-hydroxy C25H30O8 458.194067 NA MeJP NA NA +MJ067169 Glomelliferic acid C25H30O8 458.194067 NA MeJP NA NA +MJ067170 Gomisin O; Ac C25H30O8 458.194067 NA MeJP NA NA +MJ067171 Isopatagonic acid C25H30O8 458.194067 NA MeJP NA NA +MJ067172 Miriquidic acid C25H30O8 458.194067 NA MeJP NA NA +MJ067173 Patagonic acid C25H30O8 458.194067 NA MeJP NA NA +MJ067174 Prasanthalin; 2,6-Dihydro C25H30O8 458.194067 NA MeJP NA NA +MJ067175 Prednisone; 21-(3-Carboxypropanoyl) C25H30O8 458.194067 NA MeJP NA NA +MJ067176 Tricoccin S24 C25H30O8 458.194067 NA MeJP NA NA +MJ067177 Tricoccin S27 C25H30O8 458.194067 NA MeJP NA NA +MJ067178 Tricoccin S4; 8,9-Dihydro, 8?,9?-dihydroxy, 7-epimer C25H30O8 458.194067 NA MeJP NA NA +MJ067179 Tricoccin S6 C25H30O8 458.194067 NA MeJP NA NA +PJ001832 ATMH C18H30N6O6S 458.1948 NA PeJP NA NA +MJ067180 Lexipafant C23H30N4O4S 458.198776 NA MeJP NA NA +6987 coeliac toxic peptide PSQQ 458.2 antioxidative Inhouse_peptide NA peptide +7883 peptide from tropomyosin, pork muscles EELDNALN 458.20085 MH2+ Inhouse_peptide NA peptide +PJ001833 PVDE C19H30N4O9 458.2013 NA PeJP NA NA +32 Myofibrillar EELDNALN 458.2015 MH2+ Inhouse_peptide NA peptide +MJ067181 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 6-O-(1-Methyl-2-pyrrolecarbonyl), 3-O-(3,4,5-trimethoxybenzoyl) C24H30N2O7 458.205301 NA MeJP NA NA +MJ067182 6-Chloro-1,4,8,15-tetrahydroxy-6-hirsuten-5-one, 1-(2-Hydroxyoctanoyl) C23H35ClO7 458.207131 NA MeJP NA NA +MJ067183 Avitriptan C22H30N6O3S 458.210009 NA MeJP NA NA +PJ001834 TTTH C18H30N6O8 458.2125 NA PeJP NA NA +MJ067184 Pobilukast C26H34O5S 458.212694 NA MeJP NA NA +MJ067185 2-Hydroxy-13-nor-7-daucene-12,14-dioic acid; 2?-form, 2-O-?-D-Glucopyranoside, di-Me ester C22H34O10 458.215197 NA MeJP NA NA +MJ067186 2-Methyl-6-methylene-2-octene-1,8-diol, 1-Ac, 8-O-(2,6-diacetyl-?-D-glucopyranoside) C22H34O10 458.215197 NA MeJP NA NA +8269 f(118-121) of bovine kappa casein EIPT 458.225 NA ;SYN:(Methylamino)acetate; (Methylamino)acetic acid; (Methylamino)ethanoate; (Methylamino)ethanoic acid; Methylglycine; N-Methylaminoacetate; N-Methylaminoacetic acid; N-Methylglycine; N-methyl-Glycine; Sarcosin; Sarcosinate; Sarcosine; Sarcosinic acid; (methylamino)-Acetate; (methylamino)-Acetic acidH2Blood; Saliva; Urine Inhouse_peptide NA peptide +3387 ACE inhibitor RFH 458.227 celiac toxic Inhouse_peptide NA peptide +8057 synthetic peptide RHF 458.227 antioxidative Inhouse_peptide NA peptide +PJ001835 GVHF C22H30N6O5 458.2278 NA PeJP NA NA +MJ067187 1,2,9-Trihydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2-di-Ac C26H34O7 458.230453 NA MeJP NA NA +MJ067188 1,3,5,14-Tetrahydroxybufa-20,22-dienolide, 16?-Hydroxy, 1,3,5-orthoacetate C26H34O7 458.230453 NA MeJP NA NA +MJ067189 1,6,9-Trihydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6-di-Ac C26H34O7 458.230453 NA MeJP NA NA +MJ067190 14,15-Epoxy-3,12,16-trihydroxybufa-20,22-dienolide, 16-Ac C26H34O7 458.230453 NA MeJP NA NA +MJ067191 14,15-Epoxy-3,16,19-trihydroxybufa-20,22-dienolide, 16-Ac C26H34O7 458.230453 NA MeJP NA NA +MJ067192 2,13,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 13-Ketone, 2-(2-methylpropanoyl), 14-Ac C26H34O7 458.230453 NA MeJP NA NA +MJ067193 23-Methylauricepyrone C26H34O7 458.230453 NA MeJP NA NA +MJ067194 3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 3-Ac C26H34O7 458.230453 NA MeJP NA NA +MJ067195 3,6,8,14-Tetrahydroxybufa-4,20,22-trienolide, 6-Ac C26H34O7 458.230453 NA MeJP NA NA +MJ067196 3,6-Dihydroxyfuranoeremophilan-15-oic acid, 3-Angeloyl, 6-(3-methyl-2-butenoyl), Me ester C26H34O7 458.230453 NA MeJP NA NA +MJ067197 7,11,15-Trihydroxy-1,16-kauradien-3-one, Tri-Ac C26H34O7 458.230453 NA MeJP NA NA +MJ067198 Anziaic acid; 2',4-Di-Me ether C26H34O7 458.230453 NA MeJP NA NA +MJ067199 Anziaic acid; 2,2'-Di-Me ether C26H34O7 458.230453 NA MeJP NA NA +MJ067200 Anziaic acid; 2,4-Di-Me ether C26H34O7 458.230453 NA MeJP NA NA +MJ067201 Fumagillin C26H34O7 458.230453 NA MeJP NA NA +MJ067202 Rietone; 8-Ac C26H34O7 458.230453 NA MeJP NA NA +MJ067203 Salannic acid C26H34O7 458.230453 NA MeJP NA NA +MJ067204 Strobilurin I; 2''-O-(2,3-Epoxy-3-methylbutanyl) C26H34O7 458.230453 NA MeJP NA NA +MJ067205 Strobilurin I; 8-Hydroxy, 2''-O-(3-methyl-2-butenyl) C26H34O7 458.230453 NA MeJP NA NA +C08867 Hellebrigenin 3-acetate C26H34O7 458.2305 NA KEGG NA NA +C09668 Fumagillin C26H34O7 458.2305 NA KEGG NA NA +C16932 Cinobufotalin C26H34O7 458.2305 NA KEGG NA NA +HMDB02504 3-Sulfodeoxycholic acid C23H38O7S 458.233826 NA HMDB2010 NA NA +HMDB02504 3-Sulfodeoxycholic acid C23H38O7S 458.23383 http://www.hmdb.ca/metabolites/HMDB02504 HMDB NA NA +HMDB02504 3-Sulfodeoxycholic acid C23H38O7S 458.23383 HMDB02504 PFEM_hmdb_metabocards_official NA NA +PJ001836 PTLE C20H34N4O8 458.2377 NA PeJP NA NA +PJ001837 HFR C21H30N8O4 458.239 NA PeJP NA NA +MJ067206 13-Hydroxylupanine; O-(3,4,5-Trimethoxybenzoyl) C25H34N2O6 458.241686 NA MeJP NA NA +MJ067207 Ngouniensine; 10- or 11-Glucosyloxy C25H34N2O6 458.241686 NA MeJP NA NA +MJ067208 Bracteatine C25H35N2O6(+) 458.241686 NA MeJP NA NA +FL1C1ANP0006 Sophoradochromene C30H34O4 458.2457 23057-58-1 knapsack NA NA +FL1DA9NR0002 3'-Prenylrubranine C30H34O4 458.2457 116133-67-6 knapsack NA NA +FL2F1ANP0003 Sophoranochromene C30H34O4 458.2457 23057-59-2 knapsack NA NA +MJ067209 Adenostin A C30H34O4 458.245709 NA MeJP NA NA +MJ067210 Adenostin B C30H34O4 458.245709 NA MeJP NA NA +MJ067211 Bilindestrenolide C30H34O4 458.245709 NA MeJP NA NA +MJ067212 Petrosynol; 15,16-Dihydro, tetraketone C30H34O4 458.245709 NA MeJP NA NA +MJ067213 Rubranine; 3'-(3-Methyl-2-butenyl) C30H34O4 458.245709 NA MeJP NA NA +MJ067214 Sophoradochromene C30H34O4 458.245709 NA MeJP NA NA +MJ067215 Sophoranochromene C30H34O4 458.245709 NA MeJP NA NA +MJ067216 Virgaurin A C30H34O4 458.245709 NA MeJP NA NA +MJ067217 Virgaurin B C30H34O4 458.245709 NA MeJP NA NA +MJ067218 Astemizole C28H31FN4O 458.248189 NA MeJP NA NA +C06832 Astemizole C28H31FN4O 458.2482 NA KEGG NA NA +C06833 Transferred to D00235 C28H31FN4O 458.2482 NA KEGG NA NA +PJ001838 SPQK C19H34N6O7 458.2489 NA PeJP NA NA +MJ067219 2-Methyl-6-methylene-2-octene-1,8-diol, 1-O-[3(or 6)-Acetyl-6(or 3)-(3-methylbutanoyl)-?-D-glucopyranoside] C23H38O9 458.251582 NA MeJP NA NA +MJ067220 Albocycline; 2,3-Dihydro 7-O-de-Me, 7-O-?-D-glucopyranoside C23H38O9 458.251582 NA MeJP NA NA +MJ067221 Albocycline; 5,6-Dihydro, 7-O-de-Me, 7-O-?-D-glucopyranoside C23H38O9 458.251582 NA MeJP NA NA +MJ067222 Gingerdiols; [6]-Gingerdiol, 4'-O-?-D-Glucopyranoside C23H38O9 458.251582 NA MeJP NA NA +MJ067223 Gingerdiols; [6]-Gingerdiol, 5-O-?-D-Glucopyranoside C23H38O9 458.251582 NA MeJP NA NA +PJ001839 PPVF C24H34N4O5 458.2529 NA PeJP NA NA +PJ001840 PVLM C21H38N4O5S 458.2563 NA PeJP NA NA +PJ001841 GVQR C18H34N8O6 458.2602 NA PeJP NA NA +C08182 Prednisolone tebutate C27H38O6 458.2668 NA KEGG NA NA +MJ067224 15,16-Epoxy-12-cleistathen-11-one, 17-Acetoxy, 3?-angeloyloxy C27H38O6 458.266838 NA MeJP NA NA +MJ067225 15-Isopimarene-6,7,8,9,20-pentol, 20-Benzoyl C27H38O6 458.266838 NA MeJP NA NA +MJ067226 7,15-Dihydroxy-16-kauren-19-oic acid, 7-Angeloyl, 15-Ac C27H38O6 458.266838 NA MeJP NA NA +MJ067227 7-Hydroxy-25,26,27-trinor-3,11,15-trioxo-8-lanosten-24-oic acid C27H38O6 458.266838 NA MeJP NA NA +MJ067228 Deacylcylindrol; 4'-Butanoyl C27H38O6 458.266838 NA MeJP NA NA +MJ067229 Decinnamoyljolkinol B; 3-Tigloyl, 15-Ac C27H38O6 458.266838 NA MeJP NA NA +MJ067230 Luffalactone C27H38O6 458.266838 NA MeJP NA NA +MJ067231 Manoalide; 25-Ac C27H38O6 458.266838 NA MeJP NA NA +MJ067232 Prednisolone; 21-(3,3-Dimethylbutanoyl) C27H38O6 458.266838 NA MeJP NA NA +MJ067233 Thorectolide; 25-Ac C27H38O6 458.266838 NA MeJP NA NA +PJ001842 QRR C17H34N10O5 458.2714 NA PeJP NA NA +PJ001843 VVLE C21H38N4O7 458.2741 NA PeJP NA NA +PJ001844 SPKK C20H38N6O6 458.2853 NA PeJP NA NA +MJ067234 Abyssinine B C25H38N4O4 458.289305 NA MeJP NA NA +MJ067235 Fontaineine C25H38N4O4 458.289305 NA MeJP NA NA +MJ067236 Mucronine C; N-De-Me C25H38N4O4 458.289305 NA MeJP NA NA +PJ001845 GVKR C19H38N8O5 458.2965 NA PeJP NA NA +MJ067237 1,3,20-Trihydroxywitha-5,24-dienolide C28H42O5 458.303224 NA MeJP NA NA +MJ067238 1,3,27-Trihydroxywitha-5,24-dienolide C28H42O5 458.303224 NA MeJP NA NA +MJ067239 1-(2,5-Dihydroxy-3-methylphenyl)-15-hydroxy-3,7,11,15-tetramethyl-2,6-hexadecadiene-5,12-dione, 1'-Me ether C28H42O5 458.303224 NA MeJP NA NA +MJ067240 11,18:18,20:22,25-Triepoxy-24-methylfurostan-3-ol C28H42O5 458.303224 NA MeJP NA NA +MJ067241 12,16-Dihydroxy-24-methyl-24-oxo-25-scalaranal, 12-Ketone, Ac C28H42O5 458.303224 NA MeJP NA NA +MJ067242 12,22,24-Trihydroxy-24-methyl-16-scalaren-25-oic acid, 25?12 Lactone, 23-Ac C28H42O5 458.303224 NA MeJP NA NA +MJ067243 12,22-Dihydroxy-24-methyl-24-oxo-16-scalaren-25-al; 12?-form, 22-Ac C28H42O5 458.303224 NA MeJP NA NA +MJ067244 12,22-Dihydroxy-24-methyl-24-oxo-16-scalaren-25-al; 12?-form, 12-Ac C28H42O5 458.303224 NA MeJP NA NA +MJ067245 2,12-Dihydroxy-16-(2-hydroxy-5-methoxy-3-methylphenyl)-2,6,10,14-tetramethyl-3,10,14-hexadecatrien-5-one C28H42O5 458.303224 NA MeJP NA NA +MJ067246 2-(5,13-Dihydroxy-3,7,11,15-tetramethyl-12-oxo-2,6,14-hexadecatrienyl)-4-methoxy-6-methylphenol C28H42O5 458.303224 NA MeJP NA NA +MJ067247 3,8,12-Trihydroxy-11(13)-eremophilen-9-one, 3-(5-Methyl-2E,4E,6E-dodecatrienoyl) C28H42O5 458.303224 NA MeJP NA NA +MJ067248 3,9,12-Trihydroxy-7(11)-eremophilen-8-one, 3-(5-Methyl-2E,4E,6E-dodecatrienoyl) C28H42O5 458.303224 NA MeJP NA NA +MJ067249 3,9,12-Trihydroxy-7(11)-eremophilen-8-one, 3-O-(5-Methyl-2,4,6-dodecatrienoyl)(E,E,E-) C28H42O5 458.303224 NA MeJP NA NA +MJ067250 3-Clerodene-6,15,17,18-tetrol, 17-Phenylacetyl C28H42O5 458.303224 NA MeJP NA NA +MJ067251 5,12-Dihydroxy-16-(2-hydroxy-5-methoxy-3-methylphenyl)-2,6,10,14-tetramethyl-2,10,14-hexadecatrien-4-one C28H42O5 458.303224 NA MeJP NA NA +MJ067252 5,6-Epoxy-4-hydroxy-1-oxowithanolide C28H42O5 458.303224 NA MeJP NA NA +MJ067253 8,12-Epoxy-11(13)-eremophilene-3,8,9-triol, 3-(5-Methyl-2E,4E,6E-dodecatrienoyl) C28H42O5 458.303224 NA MeJP NA NA +MJ067254 Antibiotic Mer-NF 8054X C28H42O5 458.303224 NA MeJP NA NA +MJ067255 Dryofragin C28H42O5 458.303224 NA MeJP NA NA +MJ067256 Ergokonin B C28H42O5 458.303224 NA MeJP NA NA +MJ067257 Tubocapsigenin A C28H42O5 458.303224 NA MeJP NA NA +PJ001846 KRR C18H38N10O4 458.3078 NA PeJP NA NA +PJ001847 TLLL C22H42N4O6 458.3105 NA PeJP NA NA +MJ067258 3-Hydroxy-6'-apo-?-caroten-6'-al C32H42O2 458.31848 NA MeJP NA NA +PJ001848 ALKK C21H42N6O5 458.3217 NA PeJP NA NA +MJ067259 Fluvirucin A; Fluvirucin A2 C24H46N2O6 458.335587 NA MeJP NA NA +MJ067260 17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-en-24-one C29H46O4 458.339609 NA MeJP NA NA +MJ067261 2-(Methoxycarbonyl)-5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone C29H46O4 458.339609 NA MeJP NA NA +MJ067262 2-Eicosyl-5,7-dihydroxy-4H-1-benzopyran-4-one C29H46O4 458.339609 NA MeJP NA NA +MJ067263 24-Hydroperoxy-6-hydroxystigmasta-4,28-dien-3-one C29H46O4 458.339609 NA MeJP NA NA +MJ067264 28-Nor-16,21-oleanadiene-3,19,23,29-tetrol C29H46O4 458.339609 NA MeJP NA NA +MJ067265 3,11-Dihydroxy-24-nor-20(29)-lupen-28-oic acid C29H46O4 458.339609 NA MeJP NA NA +MJ067266 3,20-Dihydroxy-30-nor-12-oleanen-28-oic acid C29H46O4 458.339609 NA MeJP NA NA +MJ067267 3,21-Dihydroxy-30-nor-20(29)-friedelen-27-oic acid C29H46O4 458.339609 NA MeJP NA NA +MJ067268 3,4-Dihydroxy-23-nor-12,20(29)-oleanadien-28-oic acid C29H46O4 458.339609 NA MeJP NA NA +MJ067269 3,5,9-Trihydroxy-23-methylergosta-7,22-dien-6-one C29H46O4 458.339609 NA MeJP NA NA +MJ067270 3-Hydroxy-30-nor-20-oxo-28-lupanoic acid C29H46O4 458.339609 NA MeJP NA NA +MJ067271 6,20-Dihydroxy-27-nor-23-dammarene-3,25-dione C29H46O4 458.339609 NA MeJP NA NA +MJ067272 Aragusterol A C29H46O4 458.339609 NA MeJP NA NA +MJ067273 Baccatin C29H46O4 458.339609 NA MeJP NA NA +MJ067274 Eucosterol; 15-Deoxo C29H46O4 458.339609 NA MeJP NA NA +MJ067275 Viburnol E C29H46O4 458.339609 NA MeJP NA NA +MJ067276 3,20-Diaminopregn-16-ene-2,4-diol, N20,N20-Di-Me, N3-tigloyl C28H46N2O3 458.350843 NA MeJP NA NA +MJ067277 Tetrahydro-4-hydroxy-6-(2,4,6-trihydroxyheneicosyl)-2H-pyran-2-one C26H50O6 458.360739 NA MeJP NA NA +MJ067278 11,21-Dihydroxy-1-gammaceranone C30H50O3 458.375995 NA MeJP NA NA +MJ067279 12,20-Dihydroxydammar-25-en-3-one C30H50O3 458.375995 NA MeJP NA NA +MJ067280 12-Oleanene-1,3,11-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067281 12-Oleanene-1,3,23-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067282 12-Oleanene-2,3,19-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067283 12-Oleanene-2,3,22-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067284 12-Oleanene-2,3,23-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067285 12-Oleanene-2,3,28-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067286 12-Oleanene-3,11,21-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067287 12-Oleanene-3,15,24-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067288 12-Oleanene-3,16,22-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067289 12-Oleanene-3,16,28-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067290 12-Oleanene-3,19,28-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067291 12-Oleanene-3,21,22-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067292 12-Oleanene-3,21,24-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067293 12-Oleanene-3,22,24-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067294 12-Oleanene-3,22,28-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067295 12-Oleanene-3,22,30-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067296 12-Oleanene-3,28,29-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067297 12-Oleanene-3,9,11-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067298 12-Ursene-2,3,22-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067299 12-Ursene-2,3,28-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067300 12-Ursene-3,11-diol, 11-Hydroperoxide C30H50O3 458.375995 NA MeJP NA NA +MJ067301 12-Ursene-3,16,21-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067302 12-Ursene-3,19,28-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067303 12-Ursene-3,22,30-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067304 12-Ursene-3,24,30-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067305 13(18)-Oleanene-2,3,11-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067306 13(18)-Oleanene-3,16,28-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067307 13,28-Epoxy-3,16-oleananediol C30H50O3 458.375995 NA MeJP NA NA +MJ067308 14,26-Epoxy-3,21-serratanediol C30H50O3 458.375995 NA MeJP NA NA +MJ067309 14-Serratene-3,21,24-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067310 14-Serratene-3,21,30-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067311 16,20-Dihydroxydammar-24-en-3-one C30H50O3 458.375995 NA MeJP NA NA +MJ067312 16,24-Epoxy-25-hydroxycycloartan-3-one, 3?-Alcohol C30H50O3 458.375995 NA MeJP NA NA +MJ067313 16,28-Dihydroxy-3-friedelanone; 16?-form C30H50O3 458.375995 NA MeJP NA NA +MJ067314 16,30-Dihydroxy-3-friedelanone; 16?-form C30H50O3 458.375995 NA MeJP NA NA +MJ067315 2,21-Dihydroxy-3-friedelanone C30H50O3 458.375995 NA MeJP NA NA +MJ067316 2,29-Dihydroxy-3-friedelanone; 2?-form C30H50O3 458.375995 NA MeJP NA NA +MJ067317 2-(3-Methyl-2-butenyl)-1,4-benzenediol; 4-Me ether, 1-octadecanoyl C30H50O3 458.375995 NA MeJP NA NA +MJ067318 20(29)-Lupene-1,3,11-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067319 20(29)-Lupene-1,3,23-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067320 20(29)-Lupene-2,3,28-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067321 20(29)-Lupene-3,16,28-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067322 20(29)-Lupene-3,23,28-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067323 20(29)-Lupene-3,24,28-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067324 20(29)-Lupene-3,6,16-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067325 20(29)-Lupene-3,6,7-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067326 20(30)-Lupene-3,28,29-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067327 20(30)-Taraxastene-3,16,28-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067328 20,25-Dihydroxydammar-23-en-3-one C30H50O3 458.375995 NA MeJP NA NA +MJ067329 20,25-Epoxydammarane-3,24-diol, 3-Ketone C30H50O3 458.375995 NA MeJP NA NA +MJ067330 20,26-Dihydroxy-24-dammaren-3-one C30H50O3 458.375995 NA MeJP NA NA +MJ067331 20-Taraxastene-3,16,28-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067332 20-Taraxastene-3,16,30-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067333 21,26-Dihydroxy-3-friedelanone; 21?-form C30H50O3 458.375995 NA MeJP NA NA +MJ067334 21,26-Dihydroxy-3-friedelanone; 21?-form C30H50O3 458.375995 NA MeJP NA NA +MJ067335 21,30-Dihydroxy-3-friedelanone; 21?-form C30H50O3 458.375995 NA MeJP NA NA +MJ067336 22,25-Dihydroxy-1-hopanone C30H50O3 458.375995 NA MeJP NA NA +MJ067337 22,25-Epoxycycloartane-3,24-diol C30H50O3 458.375995 NA MeJP NA NA +MJ067338 22-Hydroxy-23-hopanoic acid C30H50O3 458.375995 NA MeJP NA NA +MJ067339 22-Hydroxy-27-hopanoic acid C30H50O3 458.375995 NA MeJP NA NA +MJ067340 24,25-Epoxytirucall-7-ene-3,23-diol C30H50O3 458.375995 NA MeJP NA NA +MJ067341 24-Hydroperoxycycloart-25-en-3-ol C30H50O3 458.375995 NA MeJP NA NA +MJ067342 25,28-Dihydroxy-3-friedelanone C30H50O3 458.375995 NA MeJP NA NA +MJ067343 28,29-Dihydroxy-3-friedelanone C30H50O3 458.375995 NA MeJP NA NA +MJ067344 28,30-Dihydroxy-3-friedelanone C30H50O3 458.375995 NA MeJP NA NA +MJ067345 3,11,20-Lupanetriol, 3-Ketone C30H50O3 458.375995 NA MeJP NA NA +MJ067346 3,20,28-Lupanetriol, 3-Ketone C30H50O3 458.375995 NA MeJP NA NA +MJ067347 3,21-Dihydroxy-8-onoceren-7-one C30H50O3 458.375995 NA MeJP NA NA +MJ067348 3,25-Dihydroxydammar-20-en-24-one C30H50O3 458.375995 NA MeJP NA NA +MJ067349 3,25-Epoxy-3,20-lupanediol C30H50O3 458.375995 NA MeJP NA NA +MJ067350 3,28-Dihydroxycycloartan-24-one C30H50O3 458.375995 NA MeJP NA NA +MJ067351 3,4-Seco-4(23)-stictene-3,22-diol; 22?-form, 3-Carboxylic acid C30H50O3 458.375995 NA MeJP NA NA +MJ067352 3-Hydroxy-27-friedelanal, 27-Carboxylic acid C30H50O3 458.375995 NA MeJP NA NA +MJ067353 3-Hydroxy-27-friedelanal; 3?-form, 27-Carboxylic acid C30H50O3 458.375995 NA MeJP NA NA +MJ067354 3-Hydroxy-28-ursanoic acid C30H50O3 458.375995 NA MeJP NA NA +MJ067355 3-Hydroxy-4-methylene-8,14-secostigmastane-8,14-dione C30H50O3 458.375995 NA MeJP NA NA +MJ067356 3-Hydroxylanostane-7,11-dione C30H50O3 458.375995 NA MeJP NA NA +MJ067357 4,28-Dihydroxy-3,4-seco-3-friedelanoic acid; Lactone C30H50O3 458.375995 NA MeJP NA NA +MJ067358 5,6-Epidioxyadianine C30H50O3 458.375995 NA MeJP NA NA +MJ067359 5-Hopene-3,16,22-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067360 6,20-Dihydroxy-3-lupanone C30H50O3 458.375995 NA MeJP NA NA +MJ067361 6,21-Dihydroxy-3-friedelanone C30H50O3 458.375995 NA MeJP NA NA +MJ067362 6,26-Dihydroxy-3-friedelanone C30H50O3 458.375995 NA MeJP NA NA +MJ067363 9(11)-Fernene-3,7,19-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067364 Chinensiol C30H50O3 458.375995 NA MeJP NA NA +MJ067365 Cucurbita-5,24-diene-3,22,23-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067366 Cycloart-22-ene-3,20,25-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067367 Cycloart-23-ene-3,25,28-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067368 Cycloart-23-ene-3,25-diol, 25-Hydroperoxide C30H50O3 458.375995 NA MeJP NA NA +MJ067369 Cycloart-24-ene-3,11,16-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067370 Cycloart-24-ene-3,16,21-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067371 Cycloart-24-ene-3,16,22-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067372 Cycloart-24-ene-3,21,23-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067373 Cycloart-24-ene-3,21,26-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067374 Cycloart-24-ene-3,22,23-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067375 Cycloart-24-ene-3,22,26-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067376 Cycloart-25-ene-3,24,27-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067377 Cycloart-25-ene-3,24-diol, 24-Hydroperoxide C30H50O3 458.375995 NA MeJP NA NA +MJ067378 Cycloartane-3,24,25-triol, 3-Ketone C30H50O3 458.375995 NA MeJP NA NA +MJ067379 Dammar-24-ene-3,11,20-triol, 3-Ketone C30H50O3 458.375995 NA MeJP NA NA +MJ067380 Dammar-24-ene-3,12,20-triol, 3-Ketone C30H50O3 458.375995 NA MeJP NA NA +MJ067381 Dammar-24-ene-3,19,20-triol, 19-Aldehyde C30H50O3 458.375995 NA MeJP NA NA +MJ067382 Dammar-24-ene-3,20,21-triol, 3-Ketone C30H50O3 458.375995 NA MeJP NA NA +MJ067383 Dammara-20(22),24-diene-3,6,12-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067384 Dammara-20,23-diene-3,25-diol, 25-Hydroperoxide C30H50O3 458.375995 NA MeJP NA NA +MJ067385 Dammarenolic acid C30H50O3 458.375995 NA MeJP NA NA +MJ067386 Elenic acid C30H50O3 458.375995 NA MeJP NA NA +MJ067387 Eupha-7,24-diene-3,11,16-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067388 Gilvanol; 3-Deoxy C30H50O3 458.375995 NA MeJP NA NA +MJ067389 Gorgost-5-ene-1,3,11-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067390 Grandinolide C30H50O3 458.375995 NA MeJP NA NA +MJ067391 Iridogermanal; 10,21-Dideoxy, 17?-hydroxy C30H50O3 458.375995 NA MeJP NA NA +MJ067392 Iridogermanal; 10,21-Dideoxy, 18,19-epoxide C30H50O3 458.375995 NA MeJP NA NA +MJ067393 Iridogermanal; 10-Deoxy C30H50O3 458.375995 NA MeJP NA NA +MJ067394 Iridogermanal; 21-Deoxy C30H50O3 458.375995 NA MeJP NA NA +MJ067395 Lanosta-7,9(11)-diene-3,24,25-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067396 Lanosta-8,23-diene-3,22,25-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067397 Malabaricanediol; 3-Ketone C30H50O3 458.375995 NA MeJP NA NA +MJ067398 Reissant-5-ene-3,24,25-triol, 24-Ketone C30H50O3 458.375995 NA MeJP NA NA +MJ067399 Reissant-5-ene-3,24,25-triol, 3-Ketone C30H50O3 458.375995 NA MeJP NA NA +MJ067400 Secoergosterol C30H50O3 458.375995 NA MeJP NA NA +MJ067401 Spirosupinanonediol C30H50O3 458.375995 NA MeJP NA NA +MJ067402 Tirucall-7-ene-3,24,25-triol, 3-Ketone C30H50O3 458.375995 NA MeJP NA NA +MJ067403 Tirucalla-7,24-diene-3,21,23-triol C30H50O3 458.375995 NA MeJP NA NA +MJ067404 Tirucalla-7,24-diene-3,23,29-triol C30H50O3 458.375995 NA MeJP NA NA +MetaCyc03626 soyasapogenol B [] C30H50O3 458.375995 NA metacyc NA NA +C08980 Soyasapogenol B C30H50O3 458.376 NA KEGG NA NA +C17421 Soyasapogenol F C30H50O3 458.376 NA KEGG NA NA +MJ067405 3,20-Diaminopregnan-12-ol, N3,N20,N20-Tri-Me, N3-(3-methyl-2-butenoyl) C29H50N2O2 458.387228 NA MeJP NA NA +MJ067406 3,20-Diaminopregnan-4-ol, N3,N20,N20-Tri-Me, N3-(3-methyl-2-butenoyl) C29H50N2O2 458.387228 NA MeJP NA NA +MJ067407 3,20-Diaminopregnan-4-ol, N3,N20,N20-Tri-Me, O-(3-methyl-2-butenoyl) C29H50N2O2 458.387228 NA MeJP NA NA +MJ067408 Pachystermine A; 4?-Alcohol C29H50N2O2 458.387228 NA MeJP NA NA +MJ067409 13,16,19,22,25-Hentriacontapentaenoic acid, 13,14-Dihydro C31H54O2 458.41238 NA MeJP NA NA +MJ067410 2,6,10-Farnesatrien-1-ol, 9-Hexadecenoyl C31H54O2 458.41238 NA MeJP NA NA +MJ067411 20,24-Epoxy-24-methyldammaran-3-ol C31H54O2 458.41238 NA MeJP NA NA +MJ067412 ?-Anincanol C31H54O2 458.41238 NA MeJP NA NA +MJ067413 Carnaubadiol C31H54O2 458.41238 NA MeJP NA NA +MJ067414 N,N,N'-Tris(2-hydroxyethyl)-N'-octadecyl-1,3-propanediamine C27H58N2O3 458.444743 NA MeJP NA NA +2802 PEP inhibitor QPPPAPGPGT 458.722 MH2+ Inhouse_peptide NA peptide +MJ067415 Herbacic acid C14H19Cl6NO3 458.949609 NA MeJP NA NA +MJ067416 Purealidin H C14H15Br2N5O3 458.954164 NA MeJP NA NA +MJ067417 Fubrogonium(1+), Iodide C14H23BrINO3 458.990599 NA MeJP NA NA +MJ067418 Sporidesmin; 8-N-De-Me C17H18ClN3O6S2 459.032554 NA MeJP NA NA +C16768 Sporidesmin J C17H18ClN3O6S2 459.0326 NA KEGG NA NA +MJ067419 Ticolubant C23H19Cl2NO3S 459.046269 NA MeJP NA NA +MJ067420 Chondroitin sulfate C14H21NO14S 459.068275 NA MeJP NA NA +MJ067421 Dermatan sulfate C14H21NO14S 459.068275 NA MeJP NA NA +MetaCyc03627 4-deoxy-β-D-gluc-4-enuronosyl-(1,4)-N-acetyl-D-galactosamine 4-sulfate [] C14H21N1O14S1 459.068275 NA metacyc NA NA +MetaCyc03628 4-deoxy-β-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 6-sulfate [] C14H21N1O14S1 459.068275 NA metacyc NA NA +C04864 4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine C14H21NO14S 459.0683 NA KEGG NA NA +C04865 4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine C14H21NO14S 459.0683 NA KEGG NA NA +C04866 alpha-D-Galactosyl-(1,3)-[alpha-L-fucosyl-(1,2)]-D-galactoside C18H31O15R 459.0683 NA KEGG NA NA +MJ067422 Antibiotic SB 212305 C20H17N3O8S 459.073635 NA MeJP NA NA +MJ067423 Salazodimethoxine C19H17N5O7S 459.084868 NA MeJP NA NA +MJ067424 (1,2-Cyclohexanediamine-N,N')[?-hydroxybenzeneacetato(2-)]platinum(II) C14H20N2O3Pt 459.112166 NA MeJP NA NA +MJ067425 Phosmidosine; O-De-Me C15H22N7O8P 459.126747 NA MeJP NA NA +MJ067426 Buprestin A C21H21N3O9 459.127779 NA MeJP NA NA +MJ067427 Nitrocycline C21H21N3O9 459.127779 NA MeJP NA NA +MJ067428 [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methanone C27H25NO4S 459.150428 NA MeJP NA NA +MJ067429 Brazergoline C23H30BrN3O2 459.152139 NA MeJP NA NA +7924 synthetic peptide DYY 459.1529 antioxidative Inhouse_peptide NA peptide +7925 synthetic peptide YDY 459.1529 antioxidative Inhouse_peptide NA peptide +7926 synthetic peptide YYD 459.1529 antioxidative Inhouse_peptide NA peptide +MJ067430 2-Acetyl-2-decarboxamidotetracycline; 5-Hydroxy C23H25NO9 459.152931 NA MeJP NA NA +MJ067431 Azicemicin A C23H25NO9 459.152931 NA MeJP NA NA +MJ067432 Narceinone C23H25NO9 459.152931 NA MeJP NA NA +PJ001849 SCNH C16H25N7O7S 459.1536 NA PeJP NA NA +PJ001850 PNDD C17H25N5O10 459.1602 NA PeJP NA NA +MJ067433 Fenoverine C26H25N3O3S 459.161662 NA MeJP NA NA +PJ001851 DYY C22H25N3O8 459.1642 NA PeJP NA NA +MJ067434 Onetine; 20-Deoxy, 20-chloro, O12-Ac C21H30ClNO8 459.165994 NA MeJP NA NA +C10286 Doronine C21H30ClNO8 459.166 NA KEGG NA NA +PJ001852 GSPPC C18H29N5O7S 459.1788 NA PeJP NA NA +PJ001853 MFY C23H29N3O5S 459.1828 NA PeJP NA NA +EUR062 5-methyltetrahydrofolate C20H25N7O6 459.1866 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR062 5-methyltetrahydrofolate C20H25N7O6 459.1866 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR062 5-methyltetrahydrofolate C20H25N7O6 459.1866 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR062 5-methyltetrahydrofolate C20H25N7O6 459.1866 Wishlist Inhousejuil11 NA NA +C00440 5-Methyltetrahydrofolate C20H25N7O6 459.1866 NA KEGG NA NA +HMDB01396 5-Methyltetrahydrofolic acid C20H25N7O6 459.18661 http://www.hmdb.ca/metabolites/HMDB01396 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01396 5-Methyltetrahydrofolic acid C20H25N7O6 459.18661 http://www.hmdb.ca/metabolites/HMDB01396 HMDB NA NA +HMDB01396 5-Methyltetrahydrofolic acid C20H25N7O6 459.18661 http://www.hmdb.ca/metabolites/HMDB01396 PFEM_hmdb_metabocards_blood NA blood +HMDB01396 5-Methyltetrahydrofolic acid C20H25N7O6 459.18661 HMDB01396 PFEM_hmdb_metabocards_official NA NA +MetaCyc03629 5-methyl-THF [N5-methyltetrahydropteroyl mono-L-glutamate;5-methyl-tetrahydrofolate;5-methyl-5,6,7,8-tetrahydrofolate;n5-methyltetrahydrofolate;N5-methyl-THF;methyl-THF;methyl-tetrahydrofolate;methyl-H4F;] C20H25N7O6 459.186632 134-35-0 metacyc NA NA +EUR062 5-methyltetrahydrofolate C20H25N7O6 459.186633 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR062 5-methyltetrahydrofolate C20H25N7O6 459.186633 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR062 5-methyltetrahydrofolate C20H25N7O6 459.186633 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR062 5-methyltetrahydrofolate C20H25N7O6 459.186633 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR062 5-methyltetrahydrofolate C20H25N7O6 459.186633 Wishlist HMDB NA NA +EUR062 5-methyltetrahydrofolate C20H25N7O6 459.186633 Wishlist Inhouse_PFEM NA NA +EUR062 5-methyltetrahydrofolate C20H25N7O6 459.186633 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR062 5-methyltetrahydrofolate C20H25N7O6 459.186633 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB01396 5-Methyltetrahydrofolic acid C20H25N7O6 459.186646 NA HMDB2010 NA NA +MJ067435 Mederrhodin B; 6-Deoxy C24H29NO8 459.189316 NA MeJP NA NA +MJ067436 Narcotinediol; ?-Ac C24H29NO8 459.189316 NA MeJP NA NA +PJ001854 SPQE C18H29N5O9 459.1965 NA PeJP NA NA +PJ001855 GGPTE C18H29N5O9 459.1966 NA PeJP NA NA +MJ067437 Fluazacort C25H30FNO6 459.205715 NA MeJP NA NA +MJ067438 Antibiotic LL-AB664? C17H29N7O8 459.20776 NA MeJP NA NA +MJ067439 Antibiotic SF 701 C17H29N7O8 459.20776 NA MeJP NA NA +PJ001856 GQQQ C17H29N7O8 459.2078 NA PeJP NA NA +PJ001857 GPTW C22H29N5O6 459.2118 NA PeJP NA NA +PJ001858 PVNM C19H33N5O6S 459.2152 NA PeJP NA NA +PJ001859 FFF C27H29N3O4 459.2158 NA PeJP NA NA +PJ001860 GNNR C16H29N9O7 459.219 NA PeJP NA NA +C15758 Lankacidin C C25H33NO7 459.2257 NA KEGG NA NA +MJ067440 Antibiotic Q 1047R-A; Quinone C25H33NO7 459.225702 NA MeJP NA NA +MJ067441 Bundlin A C25H33NO7 459.225702 NA MeJP NA NA +MJ067442 Heterophylline; 19-Oxo, O1,O8-di-Ac C25H33NO7 459.225702 NA MeJP NA NA +PJ001861 GPMR C18H33N7O5S 459.2264 NA PeJP NA NA +MJ067443 Revizinone C26H29N5O3 459.227039 NA MeJP NA NA +PJ001862 SPKE C19H33N5O8 459.2329 NA PeJP NA NA +8167 peptide derived from human fibrinogen a-chain RGDX 459.2329 antibacterial Inhouse_peptide NA peptide +EUR856 Lyso PE 18:4 [M-H-CH3]- C23H40NO7P 459.238592 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR856 Lyso PE 18:4 [M-H-CH3]- C23H40NO7P 459.238592 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR856 Lyso PE 18:4 [M-H-CH3]- C23H40NO7P 459.238592 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR856 Lyso PE 18:4 [M-H-CH3]- C23H40NO7P 459.238592 masses lipides attendues Inhousejuil11 NA NA +MJ067444 Hetisine; O13-Cinnamoyl C29H33NO4 459.240958 NA MeJP NA NA +C07966 Cerivastatin C26H34FNO5 459.2421 NA KEGG NA NA +MJ067445 Cerivastatin C26H34FNO5 459.242101 NA MeJP NA NA +MJ067446 Panax ginseng Tetrapeptide C18H33N7O7 459.244146 NA MeJP NA NA +PJ001863 GVER C18H33N7O7 459.2442 NA PeJP NA NA +PJ001864 AALW C23H33N5O5 459.2482 NA PeJP NA NA +PJ001865 PCLK C20H37N5O5S 459.2516 NA PeJP NA NA +PJ001866 ERR C17H33N9O6 459.2554 NA PeJP NA NA +PJ001867 VRW C22H33N7O4 459.2594 NA PeJP NA NA +MJ067447 Anopterine; O11-Detigloyl C26H37NO6 459.262087 NA MeJP NA NA +MJ067448 Lankacyclinol; 12-O-Ac C26H37NO6 459.262087 NA MeJP NA NA +C12333 Militarinone A C26H37NO6 459.2621 NA KEGG NA NA +PJ001868 ALKE C20H37N5O7 459.2693 NA PeJP NA NA +MJ067449 3-[(2-Cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxo-1-(phenylmethyl)-4-imidazolidineheptanoic acid C25H37N3O5 459.273321 NA MeJP NA NA +PJ001869 ATLR C19H37N7O6 459.2806 NA PeJP NA NA +MJ067450 7-[3-[[3-[(4-Ethylphenyl)thio]-2-hydroxypropyl]amino]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-5-heptenoic acid C27H41NO3S 459.280714 NA MeJP NA NA +MJ067451 Tubulosine, Deoxy C29H37N3O2 459.288577 NA MeJP NA NA +C11817 Deoxytubulosine C29H37N3O2 459.2886 NA KEGG NA NA +MJ067452 Alkaloid SN-c; 27-Carboxylic acid C27H41NO5 459.298473 NA MeJP NA NA +MJ067453 Piericidin; Piericidin A2, 10'-Me ether, 11',12'-epoxide C27H41NO5 459.298473 NA MeJP NA NA +MJ067454 Piericidin; Piericidin A3, 11',12'-Epoxide C27H41NO5 459.298473 NA MeJP NA NA +MJ067455 Verdine C27H41NO5 459.298473 NA MeJP NA NA +PJ001870 SLLK C21H41N5O6 459.3057 NA PeJP NA NA +PJ001871 GKKK C20H41N7O5 459.3169 NA PeJP NA NA +MJ067456 Turosteride C27H45N3O3 459.346092 NA MeJP NA NA +MJ067457 2-Aminobenzoic acid; N-Docosanoyl C29H49NO3 459.371244 NA MeJP NA NA +MJ067458 3-Desamino-3-hydroxysolanocapsine; O22-Et C29H49NO3 459.371244 NA MeJP NA NA +C15445 1'H-5alpha-Cholest-2-eno[3,2-b]indole C33H49N 459.3865 NA KEGG NA NA +MJ067459 1,4,6-Tribromo-3,7-dichloro-3,7-dimethyl-2-octanol C10H17Br3Cl2O 459.820658 NA MeJP NA NA +MJ067460 1,4,7-Tribromo-3,6-dichloro-3,7-dimethyl-2-octanol C10H17Br3Cl2O 459.820658 NA MeJP NA NA +MJ067461 [1,2-Ethanediylbis(imino-4,1-phenylene)]bisarsonic acid C14H18As2N2O6 459.959679 NA MeJP NA NA +MJ067462 Amathaspiramide C; 2-Oxo, N1-Me C16H18Br2N2O4 459.963332 NA MeJP NA NA +FL3FAENSS003 Luteolin 4'-methyl ether 7,3'-disulfate C16H12O12S2 459.97701 59176-64-6 knapsack NA NA +FL3FEANSS003 Hispidulin 7,4'-disulfate C16H12O12S2 459.97701 111509-38-7 knapsack NA NA +MJ067463 3',5,7-Trihydroxy-4'-methoxyflavone; 3',7-Disulfate C16H12O12S2 459.977017 NA MeJP NA NA +MJ067464 4',5,7-Trihydroxy-6-methoxyflavone; 4',7-Di-O-sulfate C16H12O12S2 459.977017 NA MeJP NA NA +MJ067465 Ciclotizolam C20H18BrClN4S 460.012407 NA MeJP NA NA +MJ067466 4,6,8-Trichloro-2-hexanoyl-1,9-dihydroxy-3,7-dimethoxydibenzofuran C20H19Cl3O6 460.024721 NA MeJP NA NA +MJ067467 Haiderin; 2,7-Dichloro, 8-Me ether C20H19Cl3O6 460.024721 NA MeJP NA NA +MJ067468 Securamine C C20H18BrClN4O2 460.030166 NA MeJP NA NA +MJ067469 Barbamide C20H23Cl3N2O2S 460.054581 NA MeJP NA NA +C15693 Barbamide C20H23Cl3N2O2S 460.0546 NA KEGG NA NA +MJ067470 Protocetraric acid; 1'-Malonyl C21H16O12 460.064175 NA MeJP NA NA +C03486 CDP-N-methylethanolamine C12H22N4O11P2 460.076 NA KEGG NA NA +C03488 Complement component C2a C12H22N4O11P2 460.076 NA KEGG NA NA +C03489 Complement component C2b C12H22N4O11P2 460.076 NA KEGG NA NA +C03490 Complement component C4a C12H22N4O11P2 460.076 NA KEGG NA NA +C03491 Cyclic secondary alcohol C7H13OR 460.076 NA KEGG NA NA +MetaCyc03630 CDP-N-methylethanolamine [] C12H22N4O11P2 460.076031 NA metacyc NA NA +MJ067471 Muscarufin C25H16O9 460.079432 NA MeJP NA NA +MJ067472 Ochrephilone; 5-Bromo C23H25BrO5 460.088536 NA MeJP NA NA +MJ067473 Tenuecyclamide A C19H20N6O4S2 460.098744 NA MeJP NA NA +FL3FAAGS0011 Apigenin 7-(6''-methylglucuronide) C22H20O11 460.10056 53538-13-9 knapsack NA NA +FL3FAAGS0012 Apigenin 7-(6''-methylgalacturonide) C22H20O11 460.10056 29781-25-7 knapsack NA NA +FL3FABGS0003 Acacetin 7-glucuronide C22H20O11 460.10056 38226-83-4 knapsack NA NA +FL3FE9GS0006 Baicalein 6-methyl ether 7-glucuronide C22H20O11 460.10056 36948-76-2 knapsack NA NA +FL3FE9GS0007 Palustrinoside C22H20O11 460.10056 29673-46-9 knapsack NA NA +FL3FF9GS0005 Wogonin 7-glucuronide C22H20O11 460.10056 51059-44-0 knapsack NA NA +FLIAACGS0002 5-Hydroxypseudobaptigenin 7-O-glucoside C22H20O11 460.10056 52663-80-6 knapsack NA NA +FLIAEAGS0002 Irilone 4'-O-glucoside C22H20O11 460.10056 50868-47-8 knapsack NA NA +MJ067474 2',5,7-Trihydroxyflavone; 2'-Me ether, 7-O-?-D-glucuronopyranoside C22H20O11 460.100561 NA MeJP NA NA +MJ067475 2,3',4,5',6-Pentahydroxydiphenyl ether; Penta-Ac C22H20O11 460.100561 NA MeJP NA NA +MJ067476 3',4',5,7-Tetrahydroxyisoflavone; 3',4'-Methylene ether, 7-O-?-D-glucopyranoside C22H20O11 460.100561 NA MeJP NA NA +MJ067477 3,6,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; 3-Me ether, 6-O-?-D-apiofuranoside C22H20O11 460.100561 NA MeJP NA NA +MJ067478 4',5,7-Trihydroxyflavone; 7-O-?-D-Galacturonopyranoside, Me ester C22H20O11 460.100561 NA MeJP NA NA +MJ067479 4',5,7-Trihydroxyflavone; 7-O-?-D-Glucuronopyranoside, Me ester C22H20O11 460.100561 NA MeJP NA NA +MJ067480 4',5-Dihydroxy-6,7-methylenedioxyisoflavone; 4'-O-?-D-Glucopyranoside C22H20O11 460.100561 NA MeJP NA NA +MJ067481 5,6,7-Trihydroxyflavone; 7-Me ether, 5-O-?-D-glucuronopyranoside C22H20O11 460.100561 NA MeJP NA NA +MJ067482 5,7-Dihydroxy-4'-methoxyflavone; 7-O-?-D-Glucuronopyranoside C22H20O11 460.100561 NA MeJP NA NA +MJ067484 5,7-Dihydroxy-8-methoxyflavone; 7-O-?-D-Glucuronoside C22H20O11 460.100561 NA MeJP NA NA +MJ067485 Desmoxyphyllin B; 7-O-?-D-Glucopyranoside C22H20O11 460.100561 NA MeJP NA NA +MJ067486 Lupinalbin A; 1-Me ether, 3-O-?-D-glucopyranoside C22H20O11 460.100561 NA MeJP NA NA +MJ067483 5,7-Dihydroxy-6-methoxyflavone; 7-O-?-D-Glucuronopyranoside C22H20O11 460.100568 NA MeJP NA NA +MJ067487 Asteroxepin C22H24N2O5S2 460.112663 NA MeJP NA NA +MJ067488 Pimolin C26H20O8 460.115817 NA MeJP NA NA +MJ067489 Cloticasone C22H27ClF2O4S 460.128664 NA MeJP NA NA +MJ067490 Diethoxybis(1-phenyl-1,3-butanedionato-O,O')titanium(IV) C24H28O6Ti 460.136535 NA MeJP NA NA +FL3FAFGS0001 Luteolin 3',4'-dimethyl ether 7-rhamnoside C23H24O10 460.13694 27637-35-0 knapsack NA NA +FL3FCAGS0004 Apigenin 5,7-dimethyl ether 4'-galactoside C23H24O10 460.13694 60372-13-6 knapsack NA NA +FL3FCBCS0002 Isoembigenin;8-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C23H24O10 460.13694 20943-11-7 knapsack NA NA +FL3FCBCS0008 Embigenin;6-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C23H24O10 460.13694 21089-34-9 knapsack NA NA +FL3FCDGS0001 Luteolin 7,3'-dimethyl ether 5-rhamnoside C23H24O10 460.13694 83004-74-4 knapsack NA NA +FL3FE9GS0008 7-Hydroxy-5,6-dimethoxyflavone 7-glucoside C23H24O10 460.13694 79198-77-9 knapsack NA NA +FL3FEAGS0020 Pectolinarigenin 7-rhamnoside C23H24O10 460.13694 34413-70-2 knapsack NA NA +FL3FF9GS0006 5-Hydroxy-7,8-dimethoxyflavone 5-glucoside C23H24O10 460.13694 113963-39-6 knapsack NA NA +FL3FF9GS0010 Immaculoside;7-Hydroxy-5,8-dimethoxyflavone 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5,8-dimethoxy-2-phenyl-4H-1-benzopyran-4-one C23H24O10 460.13694 442201-58-3 knapsack NA NA +FLIA1CGS0004 Cladrin 7-O-glucoside C23H24O10 460.13694 68862-12-4 knapsack NA NA +FLIA2AGS0004 Afrormosin 7-O-glucoside;Wistin C23H24O10 460.13694 19046-26-5 knapsack NA NA +FLIA3AGS0002 8-O-Methylretusin 7-O-glucoside C23H24O10 460.13694 68862-13-5 knapsack NA NA +FLIAEAGS0009 Irisolidone 7-O-rhamnoside C23H24O10 460.13694 88607-82-3 knapsack NA NA +FLNACBGS0001 5-Hydroxy-7,4'-dimethoxy-4-phenylcoumarin 5-O-galactoside C23H24O10 460.13694 117783-73-0 knapsack NA NA +MJ067491 1,3,6-Trihydroxy-7-methylanthraquinone; 1,3-Di-Me ether, 6-O-?-D-galactopyranoside C23H24O10 460.136946 NA MeJP NA NA +MJ067492 1,3,6-Trihydroxy-7-methylanthraquinone; 1,3-Di-Me ether, 6-O-?-D-glucopyranoside C23H24O10 460.136946 NA MeJP NA NA +MJ067493 2',4',5',7-Tetrahydroxyisoflavene; 2'-Me, 4',5'-methylene ether, 7-O-?-D-glucopyranoside C23H24O10 460.136946 NA MeJP NA NA +MJ067494 3',4',5,7-Tetrahydroxyisoflavone; 3',4'-Di-Me ether, 7-O-?-L-rhamnopyranoside C23H24O10 460.136946 NA MeJP NA NA +MJ067495 3',4',7-Trihydroxyisoflavone; 3',4'-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O10 460.136946 NA MeJP NA NA +MJ067496 4',5,6,7-Tetrahydroxyisoflavone; 4',6-Di-Me ether, 7-O-?-L-rhamnopyranoside C23H24O10 460.136946 NA MeJP NA NA +MJ067497 4',5,7-Trihydroxyflavone; 5,7-Di-Me ether, 4'-O-?-D-galactopyranoside C23H24O10 460.136946 NA MeJP NA NA +MJ067498 4',5-Dihydroxy-3',7-dimethoxyflavone; 5-O-?-L-Rhamnopyranoside C23H24O10 460.136946 NA MeJP NA NA +MJ067499 4',6,7-Trihydroxyisoflavone; 4',6-Di-Me ether, 7-O-?-D-galactopyranoside C23H24O10 460.136946 NA MeJP NA NA +MJ067500 4',6,7-Trihydroxyisoflavone; 4',6-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O10 460.136946 NA MeJP NA NA +MJ067501 4',7,8-Trihydroxyisoflavone; 4',8-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O10 460.136946 NA MeJP NA NA +MJ067502 4',7-Dihydroxyflavanone, 4'-O-(6-O-Acetyl-?-D-glucopyranoside) C23H24O10 460.136946 NA MeJP NA NA +MJ067503 4-[2-(4-Hydroxyphenyl)ethyl]-2-benzofurancarboxylic acid; 5-Hydroxy, ?-D-glucopyranosyl ester C23H24O10 460.136946 NA MeJP NA NA +MJ067504 5,6,7-Trihydroxyflavone; 5,6-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O10 460.136946 NA MeJP NA NA +MJ067505 5,7,8-Trihydroxyflavone; 7,8-Di-Me ether, 5-O-?-D-glucopyranoside C23H24O10 460.136946 NA MeJP NA NA +MJ067506 5,7-Dihydroxy-3',4'-dimethoxyflavone; 7-O-?-L-Rhamnopyranoside C23H24O10 460.136946 NA MeJP NA NA +MJ067507 5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-?-L-Rhamnopyranoside C23H24O10 460.136946 NA MeJP NA NA +MJ067508 5,7-Dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one; 4',7-Di-Me ether, 5-O-?-D-galactopyranoside C23H24O10 460.136946 NA MeJP NA NA +MJ067509 Epiphrymarol C23H24O10 460.136946 NA MeJP NA NA +MJ067510 Granatomycin D; Me ester C23H24O10 460.136946 NA MeJP NA NA +MJ067511 Isocytisoside; 7-Me ether C23H24O10 460.136946 NA MeJP NA NA +MJ067512 Isophrymarol C23H24O10 460.136946 NA MeJP NA NA +MJ067513 Ononin; 7-O-?-D-Glucopyranoside C23H24O10 460.136946 NA MeJP NA NA +MJ067514 Puerol A; O-?-D-Glucopyranoside(2) C23H24O10 460.136946 NA MeJP NA NA +MJ067515 Spinonin C23H24O10 460.136946 NA MeJP NA NA +MJ067516 Swertisin; 4'-Me ether C23H24O10 460.136946 NA MeJP NA NA +PJ001872 SCDH C16H24N6O8S 460.1377 NA PeJP NA NA +PJ001873 PDDD C17H24N4O11 460.1442 NA PeJP NA NA +MJ067517 Oxytetracycline C22H24N2O9 460.14818 NA MeJP NA NA +MJ067518 Sornidipine C22H24N2O9 460.14818 NA MeJP NA NA +MJ067519 Oxytetracycline C22H24N2O9 460.14818 NA MeJP NA NA +C06624 Oxytetracycline C22H24N2O9 460.1482 NA KEGG NA NA +MJ067520 Antibiotic BE 24566B C27H24O7 460.152203 NA MeJP NA NA +MJ067521 Bequinostatin B C27H24O7 460.152203 NA MeJP NA NA +MJ067522 Larreantin C27H24O7 460.152203 NA MeJP NA NA +MJ067523 Rhinacanthin N C27H24O7 460.152203 NA MeJP NA NA +MJ067524 Loxiglumide C21H30Cl2N2O5 460.153177 NA MeJP NA NA +MJ067525 Phenazostatin A C28H20N4O3 460.15354 NA MeJP NA NA +MJ067526 KS 506m C24H28O7S 460.155573 NA MeJP NA NA +PJ001874 ACMH C17H28N6O5S2 460.1563 NA PeJP NA NA +C13684 Clindamycin hydrochloride C18H33ClN2O5S 460.1565 NA KEGG NA NA +C13685 Transferred to D02133 C18H33ClN2O5S 460.1565 NA KEGG NA NA +C13686 Transferred to D02134 C18H33ClN2O5S 460.1565 NA KEGG NA NA +MJ067527 2',4'-Dihydroxyacetophenone; 4'-Me ether, O-[?-D-apiofuranosyl(1?6)-?-D-glucopyranoside] C20H28O12 460.158076 NA MeJP NA NA +MJ067528 2',4'-Dihydroxyacetophenone; 4'-Me ether, O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C20H28O12 460.158076 NA MeJP NA NA +MJ067529 2',4'-Dihydroxyacetophenone; 4'-Me ether, O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C20H28O12 460.158076 NA MeJP NA NA +MJ067530 2-Hydroxybenzoic acid; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], Me ester C20H28O12 460.158076 NA MeJP NA NA +MJ067531 2-Methyl-1,2,3,4-butanetetrol, 4-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C20H28O12 460.158076 NA MeJP NA NA +MJ067532 3',4'-Dihydroxyacetophenone; 3'-Me ether, 4'-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C20H28O12 460.158076 NA MeJP NA NA +MJ067533 4,5,6,7,9-Pentahydroxy-8-oxo-2-dodecenoic acid; 4,6,7,9-Tetra-Ac C20H28O12 460.158076 NA MeJP NA NA +MJ067534 Crenatoside; O-De-(3,4-dihydroxycinnamoyl) C20H28O12 460.158076 NA MeJP NA NA +MJ067535 Scandoside; 6-Epimer, 10-Ac, Et ester C20H28O12 460.158076 NA MeJP NA NA +C10715 Paeonolide C20H28O12 460.1581 NA KEGG NA NA +MJ067536 Antibiotic RP 1551-1 C25H29ClO6 460.165266 NA MeJP NA NA +MJ067537 Antibiotic RP 1551-3; 2'',3''-Dihydro, 3''?-hydroxy C25H29ClO6 460.165266 NA MeJP NA NA +MJ067538 Luteusin C C25H29ClO6 460.165266 NA MeJP NA NA +C09055 6-Acetylpicropolin C24H28O9 460.1733 NA KEGG NA NA +FL64ABGM0001 Eruberin A C24H28O9 460.17333 90146-68-2 knapsack NA NA +MJ067539 1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 9,9'-Di-Ac C24H28O9 460.173332 NA MeJP NA NA +MJ067540 15,16-Epoxy-6-hydroxy-5(10),13(16),14-halimatrien-20,12-olide-18,19-dioic acid, Ac, di-Me ester C24H28O9 460.173332 NA MeJP NA NA +MJ067541 3,10-Epoxy-8,9,15-trihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 9-(3-Methylbutanoyl), 8-(2-methylpropenoyl) C24H28O9 460.173332 NA MeJP NA NA +MJ067542 3,3',4,4',7,7'-Hexahydroxy-9,9'-epoxylignan, 3,3'-Di-Me ether, 7,7'-di-Ac C24H28O9 460.173332 NA MeJP NA NA +MJ067543 4',5,7-Trihydroxy-6,8-dimethylflavanone, 4'-Me ether, 7-O-?-L-rhamnopyranoside C24H28O9 460.173332 NA MeJP NA NA +MJ067544 4,18:12,20:15,16-Triepoxy-7,19,20-trihydroxy-13(16),14-clerodadien-6-one, 7,8-Didehydro, 19,20-di-Ac C24H28O9 460.173332 NA MeJP NA NA +MJ067545 4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone, 3,19-di-Ac C24H28O9 460.173332 NA MeJP NA NA +MJ067546 4,18:15,16-Diepoxy-6,7,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone, 7,19-di-Ac C24H28O9 460.173332 NA MeJP NA NA +MJ067547 4,18:15,16-Diepoxy-6,7,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 7-Ketone, 6,19-di-Ac C24H28O9 460.173332 NA MeJP NA NA +MJ067548 4,18:15,16-Diepoxy-6,7,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone, 7,19-di-Ac C24H28O9 460.173332 NA MeJP NA NA +MJ067549 5,8,9-Trihydroxy-2-oxo-1(10),3,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 5,9-di-Ac C24H28O9 460.173332 NA MeJP NA NA +MJ067550 8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8,9-Bis-(2-methylpropenoyl), Me ester C24H28O9 460.173332 NA MeJP NA NA +MJ067551 Antibiotic L29-141 C24H28O9 460.173332 NA MeJP NA NA +MJ067552 Bipinnatin B; 11,12-Deepoxy(Z-), 17-deoxo, 15S,16-epoxide C24H28O9 460.173332 NA MeJP NA NA +MJ067553 Eruberin A C24H28O9 460.173332 NA MeJP NA NA +MJ067554 Isomallotochromanol C24H28O9 460.173332 NA MeJP NA NA +MJ067555 Mallotochromene; 3,4-Dihydro, 3-hydroxy C24H28O9 460.173332 NA MeJP NA NA +MJ067556 Mallotojaponin; 2''-hydroxy C24H28O9 460.173332 NA MeJP NA NA +MJ067557 Teucrolivin G C24H28O9 460.173332 NA MeJP NA NA +PJ001875 SSMH C17H28N6O7S 460.174 NA PeJP NA NA +PJ001876 GGGAPC C17H28N6O7S 460.1741 NA PeJP NA NA +PJ001877 SPEE C18H28N4O10 460.1806 NA PeJP NA NA +MJ067558 6a,6b,12a,12b-Tetrahydro-3,9-dihydroxy-cyclobuta[1,2-c:3.4-c']bis[1]benzopyran-6,12-dione; Bis(3-methyl-2-butenyl)ether C28H28O6 460.188588 NA MeJP NA NA +MJ067559 7-Deoxy-D-glycero-D-manno-heptitol; Tri-O-benzylidene C28H28O6 460.188588 NA MeJP NA NA +MJ067560 Caleahymenone A C28H28O6 460.188588 NA MeJP NA NA +MJ067561 Gracilixanthone C28H28O6 460.188588 NA MeJP NA NA +MJ067562 Latisxanthone A C28H28O6 460.188588 NA MeJP NA NA +MJ067563 Tovophyllin B C28H28O6 460.188588 NA MeJP NA NA +PJ001878 GQQE C17H28N6O9 460.1918 NA PeJP NA NA +MJ067564 4-(4-Hydroxyphenyl)-2-butanol, 2-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H32O11 460.194461 NA MeJP NA NA +MJ067565 4-(4-Hydroxyphenyl)-2-butanol, 2-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C21H32O11 460.194461 NA MeJP NA NA +MJ067566 4-(4-Hydroxyphenyl)-2-butanol, 2-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C21H32O11 460.194461 NA MeJP NA NA +MJ067567 4-(4-Hydroxyphenyl)-2-butanol, 4'-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C21H32O11 460.194461 NA MeJP NA NA +MJ067568 4-(4-Hydroxyphenyl)-2-butanol, 2-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H32O11 460.194461 NA MeJP NA NA +MJ067569 4-(4-Hydroxyphenyl)-2-butanol, 2-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C21H32O11 460.194461 NA MeJP NA NA +MJ067570 Loniceracetalide A C21H32O11 460.194461 NA MeJP NA NA +PJ001879 PVDM C19H32N4O7S 460.1992 NA PeJP NA NA +C14002 Lincomycin hydrochloride C18H34N2O6S 460.201 NA KEGG NA NA +C14003 Transferred to D02224 C18H34N2O6S 460.201 NA KEGG NA NA +C14005 Transferred to D02226 C18H34N2O6S 460.201 NA KEGG NA NA +C14006 Transferred to D02227 C18H34N2O6S 460.201 NA KEGG NA NA +MJ067571 Antibiotic SF 2415B1 C26H33ClO5 460.201651 NA MeJP NA NA +PJ001880 GNDR C16H28N8O8 460.203 NA PeJP NA NA +2752 activating kinases and phosphatases peptide DPSYVNVQ 460.2054 MH2+ Inhouse_peptide NA peptide +PJ001881 QQW C21H28N6O6 460.207 NA PeJP NA NA +PJ001882 GAQW C21H28N6O6 460.2071 NA PeJP NA NA +C10672 Aspidin C25H32O8 460.2097 NA KEGG NA NA +C10704 alpha-Kosin C25H32O8 460.2097 NA KEGG NA NA +C15429 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate) C25H32O8 460.2097 NA KEGG NA NA +MJ067572 1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 3-(2-methylpropanoyl), 1-Ac C25H32O8 460.209718 NA MeJP NA NA +MJ067573 1,7-Bis(4-hydroxyphenyl)-3-heptanone; 4''-O-?-D-Glucopyranoside C25H32O8 460.209718 NA MeJP NA NA +MJ067574 1,8,9-Trihydroxy-3,11(13)-eudesmadien-12,6-olide, 1-Angeloyl, 8-(2,3-epoxy-2-methylbutanoyl) C25H32O8 460.209718 NA MeJP NA NA +MJ067575 1,8,9-Trihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-Angeloyl, 9-(2,3-epoxy-2-methylbutanoyl) C25H32O8 460.209718 NA MeJP NA NA +MJ067576 1,8,9-Trihydroxy-3,11(13)-eudesmadien-12,6-olide, 9-Angeloyl, 8-(2,3-epoxy-2-methylbutanoyl) C25H32O8 460.209718 NA MeJP NA NA +MJ067577 15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8?,17-Epoxy, 3-angeloyl C25H32O8 460.209718 NA MeJP NA NA +MJ067578 2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-(2,3,6-Trihydroxy-2,6-dimethyl-7-octenoyl) C25H32O8 460.209718 NA MeJP NA NA +MJ067579 3,4-Epoxy-2,8-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 2-(2-Methylbutanoyl), 8-(2,3-epoxy-2-methylbutanoyl) C25H32O8 460.209718 NA MeJP NA NA +MJ067580 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[2-(2-Hydroxymethyl-2E-butenoyloxy)methyl-2E-butenoyl] C25H32O8 460.209718 NA MeJP NA NA +MJ067581 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[4-Hydroxy-2-(tigloyloxymethyl)-2E-butenoyl] C25H32O8 460.209718 NA MeJP NA NA +MJ067582 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[2-(2-Hydroxymethyl-2E-butenoyloxy)methyl-2E-butenoyl] C25H32O8 460.209718 NA MeJP NA NA +MJ067583 4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 8-Angeloyl, 1-(2-hydroxymethyl-2Z-butenoyl) C25H32O8 460.209718 NA MeJP NA NA +MJ067584 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 9-(2-methylbutanoyl) C25H32O8 460.209718 NA MeJP NA NA +MJ067585 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Angeloyl, 8-(2-methylbutanoyl) C25H32O8 460.209718 NA MeJP NA NA +MJ067586 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-[[4-Hydroxy-2-(2-hydroxymethyl-2E-butenoyloxy)methyl]-2E-butenoyl] C25H32O8 460.209718 NA MeJP NA NA +MJ067587 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-[[4-Hydroxy-2-(2-hydroxymethyl-2Z-butenoyloxy)methyl]-2E-butenoyl] C25H32O8 460.209718 NA MeJP NA NA +MJ067588 Acerogenin A, 12-O-?-D-Glucopyranoside C25H32O8 460.209718 NA MeJP NA NA +MJ067589 Acerogenin A, 4-O-?-D-Glucopyranoside C25H32O8 460.209718 NA MeJP NA NA +MJ067590 Albaspidins; Albaspidin iBiB C25H32O8 460.209718 NA MeJP NA NA +MJ067591 Aspidins; Aspidin BB C25H32O8 460.209718 NA MeJP NA NA +MJ067592 Aurovertin B C25H32O8 460.209718 NA MeJP NA NA +MJ067593 Binankadsurin B; 7-Ac C25H32O8 460.209718 NA MeJP NA NA +MJ067594 Clausenolide C25H32O8 460.209718 NA MeJP NA NA +MJ067595 Cryptochlorophaeic acid C25H32O8 460.209718 NA MeJP NA NA +MJ067596 Eupodienone 2; 9-Ac C25H32O8 460.209718 NA MeJP NA NA +MJ067597 Indaquassin F C25H32O8 460.209718 NA MeJP NA NA +MJ067598 Isoaspidins; Isoaspidin BB C25H32O8 460.209718 NA MeJP NA NA +MJ067599 Klaineanolide A C25H32O8 460.209718 NA MeJP NA NA +MJ067600 Ligulaverin C C25H32O8 460.209718 NA MeJP NA NA +MJ067601 Melanphlone C25H32O8 460.209718 NA MeJP NA NA +MJ067602 Prednisolone; 21-(3-Carboxypropanoate) C25H32O8 460.209718 NA MeJP NA NA +MJ067603 Pseudoaspidin C25H32O8 460.209718 NA MeJP NA NA +MJ067604 Ramalinolic acid; 2,4'-Di-Me ether C25H32O8 460.209718 NA MeJP NA NA +MJ067605 Saroaspidin B C25H32O8 460.209718 NA MeJP NA NA +MJ067606 Schkuhripinnatolide A; 8-(4-Hydroxy-2-methyl-2-butenoyl) C25H32O8 460.209718 NA MeJP NA NA +MJ067607 Soulameolide C25H32O8 460.209718 NA MeJP NA NA +MJ067608 ?-Kosin C25H32O8 460.209718 NA MeJP NA NA +PJ001883 PCNK C18H32N6O6S 460.2104 NA PeJP NA NA +MJ067609 1-[4-Amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-(1-piperidinyl)-1-pentanone C25H33ClN2O4 460.212885 NA MeJP NA NA +MJ067610 Nisterime C25H33ClN2O4 460.212885 NA MeJP NA NA +PJ001884 ALEE C19H32N4O9 460.217 NA PeJP NA NA +PJ001885 APHH C20H28N8O5 460.2183 NA PeJP NA NA +MJ067611 3-[[3-[3-[4-(5-Methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-1H-indol-5-yl]amino]-4-methyl-3-cyclobutene-1,2-dione C25H28N6O3 460.222288 NA MeJP NA NA +MJ067612 Sorocenol A C29H32O5 460.224974 NA MeJP NA NA +PJ001886 GQKE C18H32N6O8 460.2282 NA PeJP NA NA +MJ067613 1,3,6-Trihydroxy-11(13)-eudesmen-12-oic acid, 1-O-?-D-Glucopyranoside, Me ester C22H36O10 460.230847 NA MeJP NA NA +PJ001887 PPTF C23H32N4O6 460.2322 NA PeJP NA NA +PJ001888 PTLM C20H36N4O6S 460.2356 NA PeJP NA NA +MJ067614 Cylindrocarine, N-Benzoyl C28H32N2O4 460.236207 NA MeJP NA NA +PJ001889 GTQR C17H32N8O7 460.2394 NA PeJP NA NA +PJ001890 QKW C22H32N6O5 460.2434 NA PeJP NA NA +MJ067615 11,17,21-Trihydroxypregn-4-ene-3,20-dione, 17-Propanoyl, 21-Ac C26H36O7 460.246103 NA MeJP NA NA +MJ067616 17,18-Epoxy-1(19),6,10(17),14-xenicatetraene-11,13,18-triol; Tri-Ac C26H36O7 460.246103 NA MeJP NA NA +MJ067617 2,14-Dihydroxy-5,8(17),11-briaratrien-18,7-olide, 11?,12?-Epoxide, 2-butanoyl, 14-Ac C26H36O7 460.246103 NA MeJP NA NA +MJ067618 2,9,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 2-Butanoyl, 14-Ac C26H36O7 460.246103 NA MeJP NA NA +MJ067619 3,6-Dihydroxyfuranoeremophilan-15-oic acid, 3-Angeloyl, 6-(2-methylbutanoyl), Me ester C26H36O7 460.246103 NA MeJP NA NA +MJ067620 3,6-Dihydroxyfuranoeremophilan-15-oic acid, 3-Angeloyl, 6-(3-methylbutanoyl), Me ester C26H36O7 460.246103 NA MeJP NA NA +MJ067621 4-[1-[2,6-Dihydroxy-4-methoxy-3-(2-methyl-1-oxopropyl)phenyl]-3-methylbutyl]-5-hydroxy-2,2,6,6-tetramethyl-4-cyclohexene-1,3-dione C26H36O7 460.246103 NA MeJP NA NA +MJ067622 Feropolol; 3'-O-Ac C26H36O7 460.246103 NA MeJP NA NA +MJ067623 Tricoccin S22; 1,2-Dihydro, 1?-hydroxy C26H36O7 460.246103 NA MeJP NA NA +MJ067624 Waixenicin B; 9-Deoxy C26H36O7 460.246103 NA MeJP NA NA +MJ067625 Xenicin; 8-Deacetoxy C26H36O7 460.246103 NA MeJP NA NA +MJ067626 N-Acetylvalyl-N-[2-(1H-indol-3-yl)ethenyl]-N?-methylphenylalaninamide C27H32N4O3 460.24744 NA MeJP NA NA +2871 opioid lipotropin fr:88-91 KKGE 460.251 antibacterial Inhouse_peptide NA peptide +PJ001891 SLLE C20H36N4O8 460.2533 NA PeJP NA NA +FL1C1ANI0013 Sophoradin C30H36O4 460.26135 23057-54-7 knapsack NA NA +FL1CQUNI0001 Munchiwarin C30H36O4 460.26135 213545-46-1 knapsack NA NA +FL2F1ANI0001 Sophoranone;(-)-Sophoranone C30H36O4 460.26135 23057-55-8 knapsack NA NA +FL6F1CNP0002 Kazinol H C30H36O4 460.26135 104494-37-3 knapsack NA NA +MJ067627 2',4,4'-Trihydroxy-3,3',5-triprenylchalcone C30H36O4 460.261359 NA MeJP NA NA +MJ067628 4',7-Dihydroxy-3',5',8-triprenylflavanone C30H36O4 460.261359 NA MeJP NA NA +MJ067629 4',7-Dihydroxy-3',6,8-triprenylflavanone C30H36O4 460.261359 NA MeJP NA NA +MJ067630 4,4'-Diapo-4,4'-carotenedioic acid C30H36O4 460.261359 NA MeJP NA NA +MJ067631 4,4a,6,7,8,9,14,15-Octahydro-3,4a,6,11,15-pentamethyl-9-(1-methylethenyl)-13H-acenaphtho[1,8a-b]naphtho[2,1-e][1,4]dioxin-1,2-diol C30H36O4 460.261359 NA MeJP NA NA +MJ067632 4,4a,8,9,10,11,14,15-Octahydro-3,4a,6,11,15-pentamethyl-8-(1-methylethenyl)-13H-acenaphtho[1,8a-b]naphtho[1,2-e][1,4]dioxin-1,2-diol C30H36O4 460.261359 NA MeJP NA NA +MJ067633 Ferruanthrone C30H36O4 460.261359 NA MeJP NA NA +MJ067634 Ferruginin A C30H36O4 460.261359 NA MeJP NA NA +MJ067635 Ferruginin B C30H36O4 460.261359 NA MeJP NA NA +MJ067636 Harongin anthrone C30H36O4 460.261359 NA MeJP NA NA +MJ067637 Harunganin C30H36O4 460.261359 NA MeJP NA NA +MJ067638 Harunganol B C30H36O4 460.261359 NA MeJP NA NA +MJ067639 Kazinol H C30H36O4 460.261359 NA MeJP NA NA +MJ067640 Munchiwarin C30H36O4 460.261359 NA MeJP NA NA +MJ067641 Rudbeckiolide C30H36O4 460.261359 NA MeJP NA NA +C08719 Sophoranone C30H36O4 460.2614 NA KEGG NA NA +MJ067642 Fluocortolone; 21-(2,2-Dimethylpropanoyl) C27H37FO5 460.262502 NA MeJP NA NA +PJ001892 GKKE C19H36N6O7 460.2646 NA PeJP NA NA +MJ067643 Zizyphine D; N-De-Me C24H36N4O5 460.26857 NA MeJP NA NA +PJ001893 PVVF C24H36N4O5 460.2686 NA PeJP NA NA +PJ001894 VVLM C21H40N4O5S 460.272 NA PeJP NA NA +PJ001895 GTKR C18H36N8O6 460.2758 NA PeJP NA NA +PJ001896 KKW C23H36N6O4 460.2798 NA PeJP NA NA +MJ067644 11,17,21-Trihydroxypregn-4-ene-3,20-dione, 21-(3,3-Dimethylbutanoyl) C27H40O6 460.282489 NA MeJP NA NA +MJ067645 11-Eremophilene-3,8,9-triol, 8-Ketone, 3-(4-hex-2Z-enoyloxy-2Z-hexenoyl) C27H40O6 460.282489 NA MeJP NA NA +MJ067646 13,16-Epoxy-24,25-dihydroxy-17-cheilanthen-19,25-olide, 24-Ac C27H40O6 460.282489 NA MeJP NA NA +MJ067647 13,24,25-Trihydroxy-15,17-cheilanthadien-19,25-olide, 24-Ac C27H40O6 460.282489 NA MeJP NA NA +MJ067648 16,24-Epoxy-24,25-dihydroxy-17-cheilanthen-19,25-olide, 24-Ac C27H40O6 460.282489 NA MeJP NA NA +MJ067649 2,3-Secospirostan-3,6-olid-2-oic acid C27H40O6 460.282489 NA MeJP NA NA +MJ067650 2,6-Dihydroxyspirostane-3,12-dione C27H40O6 460.282489 NA MeJP NA NA +MJ067651 2-Hydroxy-8,12-dioxo-4,11(13)-bulgaradien-15-oic acid; 2-Dodecanoyl C27H40O6 460.282489 NA MeJP NA NA +MJ067652 3,9-Dihydroxy-7(11)-eremophilen-8-one, 3-(4-Hex-2Z-enoyloxy-2Z-hexenoyl) C27H40O6 460.282489 NA MeJP NA NA +MJ067653 6,7-Dihydroxy-3,13-clerodadien-15-oic acid, 6-Angeloyl, 7-Ac C27H40O6 460.282489 NA MeJP NA NA +MJ067654 Dactylospongia acetal A C27H40O6 460.282489 NA MeJP NA NA +MJ067655 Luffolide C27H40O6 460.282489 NA MeJP NA NA +MJ067656 Spirosta-5,25(27)-diene-1,2,3,12-tetrol C27H40O6 460.282489 NA MeJP NA NA +MJ067657 Spirosta-5,25(27)-diene-1,3,23,24-tetrol C27H40O6 460.282489 NA MeJP NA NA +MJ067658 Vibsanin H; Di-Me ether C27H40O6 460.282489 NA MeJP NA NA +C13422 Hydrocortisone caproate C27H40O6 460.2825 NA KEGG NA NA +C13423 Transferred to D02590 C27H40O6 460.2825 NA KEGG NA NA +C13424 Zanapezil fumarate C25H32N2O 460.2825 NA KEGG NA NA +MJ067659 3-[(4-Acetylphenyl)ethynyl]-3-hydroxypregnan-20-one C31H40O3 460.297745 NA MeJP NA NA +MJ067660 Lysinomycin C20H40N6O6 460.300933 NA MeJP NA NA +PJ001897 SVKK C20H40N6O6 460.301 NA PeJP NA NA +MJ067661 Zeraconine; N-Oxide C30H40N2O2 460.308978 NA MeJP NA NA +MJ067662 12,16-Dihydroxy-24-methyl-24-oxo-25-scalaranal, 16-Ac C28H44O5 460.318874 NA MeJP NA NA +MJ067663 2,3,14,22-Tetrahydroxyergosta-7,20-dien-6-one C28H44O5 460.318874 NA MeJP NA NA +MJ067664 2,3,14,22-Tetrahydroxyergosta-7,24(28)-dien-6-one C28H44O5 460.318874 NA MeJP NA NA +MJ067665 2,9:3,16-Diepoxy-6-asbestinene-4,11-diol, 11-Ketone, 4-octanoyl C28H44O5 460.318874 NA MeJP NA NA +MJ067666 22,23-Epoxy-2,3,14-trihydroxyergost-7-en-6-one C28H44O5 460.318874 NA MeJP NA NA +MJ067667 24,25-Epoxy-16,24-dihydroxy-24-methyl-12-scalaranone; 16?-form, 16-Ac C28H44O5 460.318874 NA MeJP NA NA +MJ067668 24,25-Epoxy-24-methyl-16-scalarene-12,22,25-triol, 22-Ac C28H44O5 460.318874 NA MeJP NA NA +MJ067669 24,25-Epoxy-24-methyl-16-scalarene-12,22,25-triol, 12-Ac C28H44O5 460.318874 NA MeJP NA NA +MJ067670 3,5,9,14-Tetrahydroxyergosta-7,22-dien-6-one C28H44O5 460.318874 NA MeJP NA NA +MJ067671 3,6,11-Trihydroxy-24-nor-9,11-secocholesta-7,22-dien-9-one, 11-Ac C28H44O5 460.318874 NA MeJP NA NA +MJ067672 6,13-Epoxy-4(18),8-eunicelladiene-7,12-diol, Dibutanoyl C28H44O5 460.318874 NA MeJP NA NA +MJ067673 7,22,24,25-Tetrahydroxyergosta-1,4-dien-3-one C28H44O5 460.318874 NA MeJP NA NA +MJ067674 9,10-Secoergosta-5,7,10(19),22-tetraene-1,3,24,25,28-pentol C28H44O5 460.318874 NA MeJP NA NA +MJ067675 Ergosta-5,24(28)-diene-1,3,11,18-tetrol, 18-Carboxylic acid C28H44O5 460.318874 NA MeJP NA NA +MJ067676 Maesaquinone; Mono-Ac C28H44O5 460.318874 NA MeJP NA NA +MJ067677 Tetrahydro-?-[9-(5-hydroxy-2-methoxy-3-methylphenyl)-3,7-dimethyl-3,7-nonadienyl]-?',?',2-trimethyl-2,5-furandimethanol C28H44O5 460.318874 NA MeJP NA NA +MJ067678 3-Hydroxy-6'-apo-?-caroten-6'-al; 6'-Alcohol C32H44O2 460.33413 NA MeJP NA NA +MJ067679 1,3,11-Trihydroxy-30-nor-20-lupanone C29H48O4 460.35526 NA MeJP NA NA +MJ067680 23-Methylergosta-5,17(20)-diene-3,22,23,25-tetrol C29H48O4 460.35526 NA MeJP NA NA +MJ067681 23-Methylergosta-7,22-diene-3,5,6,9-tetrol C29H48O4 460.35526 NA MeJP NA NA +MJ067682 24,25-Epoxy-20,24-dimethyl-12,24-scalaranediol; 12?-form, 12-Ac C29H48O4 460.35526 NA MeJP NA NA +MJ067683 29-Norcycloart-25-ene-3,23,24-triol, 24-Hydroperoxide C29H48O4 460.35526 NA MeJP NA NA +MJ067684 3,6,20-Trihydroxystigmast-9(11)-en-23-one C29H48O4 460.35526 NA MeJP NA NA +MJ067685 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, Eicosyl ester C29H48O4 460.35526 NA MeJP NA NA +MJ067686 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Nonadecyl ester C29H48O4 460.35526 NA MeJP NA NA +MJ067687 Coenzyme Q; Coenzyme Q4, 6',7'R,10',11'R,14',15'-Hexahydro C29H48O4 460.35526 NA MeJP NA NA +MJ067688 Ergosta-7,22-diene-3,5,6,9-tetrol, 6-Me ether C29H48O4 460.35526 NA MeJP NA NA +MJ067689 Lexacalcitol C29H48O4 460.35526 NA MeJP NA NA +MJ067690 Lovenone C29H48O4 460.35526 NA MeJP NA NA +MJ067691 Xestokerol B C29H48O4 460.35526 NA MeJP NA NA +MJ067692 3,20-Diaminopregnane-2,4-diol, N20,N20-Di-Me, N3-tigloyl C28H48N2O3 460.366493 NA MeJP NA NA +MJ067693 Solanocapsine; 7?-Hydroxy, Me ether C28H48N2O3 460.366493 NA MeJP NA NA +MJ067694 Ronipamil C32H48N2 460.381749 NA MeJP NA NA +MJ067695 1,11,22-Hopanetriol C30H52O3 460.391645 NA MeJP NA NA +MJ067696 1,11,29-Hopanetriol C30H52O3 460.391645 NA MeJP NA NA +MJ067697 2,3,16-Friedelanetriol C30H52O3 460.391645 NA MeJP NA NA +MJ067698 2,3,22-Stictanetriol C30H52O3 460.391645 NA MeJP NA NA +MJ067699 2,3,28-Friedelanetriol C30H52O3 460.391645 NA MeJP NA NA +MJ067700 2-(4-Hydroxyphenyl)ethanol; 1-O-Docosanoyl C30H52O3 460.391645 NA MeJP NA NA +MJ067701 2-Hydroxy-3,4-seco-3-friedelanoic aid C30H52O3 460.391645 NA MeJP NA NA +MJ067702 20,24-Epoxydammarane-3,25-diol C30H52O3 460.391645 NA MeJP NA NA +MJ067703 20,25-Dihydroxydammaran-3-one; 20S-form C30H52O3 460.391645 NA MeJP NA NA +MJ067704 20,25-Epoxydammarane-3,24-diol C30H52O3 460.391645 NA MeJP NA NA +MJ067705 23(24?25)-Abeo-20,24-dihydroxy-3-dammaranone C30H52O3 460.391645 NA MeJP NA NA +MJ067706 3,11,13-Oleananetriol C30H52O3 460.391645 NA MeJP NA NA +MJ067707 3,11,20-Lupanetriol C30H52O3 460.391645 NA MeJP NA NA +MJ067708 3,11-Dihydroxy-4,23-dimethyl-9,11-secoergost-22-en-9-one C30H52O3 460.391645 NA MeJP NA NA +MJ067709 3,14,21-Serratanetriol C30H52O3 460.391645 NA MeJP NA NA +MJ067710 3,15,22-Hopanetriol C30H52O3 460.391645 NA MeJP NA NA +MJ067711 3,16,22-Hopanetriol C30H52O3 460.391645 NA MeJP NA NA +MJ067712 3,19,20-Ursanetriol C30H52O3 460.391645 NA MeJP NA NA +MJ067713 3,20,25-Lupanetriol C30H52O3 460.391645 NA MeJP NA NA +MJ067714 3,20,28-Lupanetriol C30H52O3 460.391645 NA MeJP NA NA +MJ067715 6,16,22-Hopanetriol C30H52O3 460.391645 NA MeJP NA NA +MJ067716 6,7,22-Hopanetriol C30H52O3 460.391645 NA MeJP NA NA +MJ067717 Capiquinones; Capiquinone G C30H52O3 460.391645 NA MeJP NA NA +MJ067718 Cycloartane-11,24,25-triol C30H52O3 460.391645 NA MeJP NA NA +MJ067719 Cycloartane-3,24,25-triol C30H52O3 460.391645 NA MeJP NA NA +MJ067720 Dammar-20-ene-3,24,25-triol C30H52O3 460.391645 NA MeJP NA NA +MJ067721 Dammar-23-ene-3,20,25-triol C30H52O3 460.391645 NA MeJP NA NA +MJ067722 Dammar-24-ene-3,11,20-triol C30H52O3 460.391645 NA MeJP NA NA +MJ067723 Dammar-24-ene-3,12,20-triol C30H52O3 460.391645 NA MeJP NA NA +MJ067724 Dammar-24-ene-3,17,20-triol C30H52O3 460.391645 NA MeJP NA NA +MJ067725 Dammar-24-ene-3,20,21-triol C30H52O3 460.391645 NA MeJP NA NA +MJ067726 Dammar-24-ene-3,20,26-triol C30H52O3 460.391645 NA MeJP NA NA +MJ067727 Dammar-25-ene-3,20,24-triol C30H52O3 460.391645 NA MeJP NA NA +MJ067728 Gorgostane-3,5,6-triol C30H52O3 460.391645 NA MeJP NA NA +MJ067729 Lanost-9(11)-ene-3,24,25-triol C30H52O3 460.391645 NA MeJP NA NA +MJ067730 Malabaricanediol C30H52O3 460.391645 NA MeJP NA NA +MJ067731 Panaxadiol C30H52O3 460.391645 NA MeJP NA NA +MJ067732 Reissant-5-ene-3,24,25-triol C30H52O3 460.391645 NA MeJP NA NA +MJ067733 Stigmast-5-ene-3,7,22-triol, 7-Me ether C30H52O3 460.391645 NA MeJP NA NA +MJ067734 Tirucall-7-ene-3,24,25-triol C30H52O3 460.391645 NA MeJP NA NA +MJ067735 ?-Tocopherolhydroquinone; 1,4-Quinone, Me ether C30H52O3 460.391645 NA MeJP NA NA +MJ067736 Araguspongine F C29H52N2O2 460.402878 NA MeJP NA NA +MJ067737 20,32-Cyclobishomo-20,22,31-hopatriene, 32-Ethyl C34H52 460.406901 NA MeJP NA NA +MJ067738 2,6,10-Farnesatrien-1-ol, Hexadecanoyl C31H56O2 460.428031 NA MeJP NA NA +MJ067739 5,9,24-Hentriacontatrienoic acid C31H56O2 460.428031 NA MeJP NA NA +MJ067740 5-Pentacosyl-1,3-benzenediol C31H56O2 460.428031 NA MeJP NA NA +MJ067741 7-Drimen-11-ol, O-Hexadecanoyl C31H56O2 460.428031 NA MeJP NA NA +MJ067742 5,27-Tritriacontadiene C33H64 460.500802 NA MeJP NA NA +3133 ester transferases inhibitor RMWYVPA 460.7202 MH2+ Inhouse_peptide NA peptide +MJ067743 Bensalan C14H10Br3NO2 460.826166 NA MeJP NA NA +MJ067744 Brotianide C15H10Br2ClNO2S 460.848752 NA MeJP NA NA +MJ067745 Discorhabdin C C18H13Br2N3O2 460.937451 NA MeJP NA NA +MJ067746 Saviprazole C15H10F7N3O2S2 461.010265 NA MeJP NA NA +MJ067747 Oxabrexine C18H25Br2NO3 461.020118 NA MeJP NA NA +MJ067748 Dysidenin; 13-Demethyl, 5-epimer, 9,11-bisdechloro C16H23Cl4N3O2S 461.026508 NA MeJP NA NA +C03928 3-Phosphoglycerol-glutathione C13H24N3O11PS 461.0869 NA KEGG NA NA +C12018 SM-17466 C20H21N4O5S2 461.0953 NA KEGG NA NA +MJ067749 Prulifloxacin C21H20FN3O6S 461.105684 NA MeJP NA NA +MJ067750 Lenampicillin C21H23N3O7S 461.12567 NA MeJP NA NA +C06839 Azlocillin C20H23N5O6S 461.1369 NA KEGG NA NA +MJ067751 Azlocillin C20H23N5O6S 461.136904 NA MeJP NA NA +MJ067752 Polyoxin M C16H23N5O11 461.139406 NA MeJP NA NA +MJ067753 4-(2-Nitroethyl)phenol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C19H27NO12 461.153325 NA MeJP NA NA +MJ067754 4-(2-Nitroethyl)phenol; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C19H27NO12 461.153325 NA MeJP NA NA +MJ067755 Clathrynamide A C24H32BrNO3 461.156556 NA MeJP NA NA +MJ067756 namide A C24H32BrNO3 461.156556 NA MeJP NA NA +PJ001898 PCNE C17H27N5O8S 461.1581 NA PeJP NA NA +MJ067757 Pivcephalexin C22H27N3O6S 461.162056 NA MeJP NA NA +MJ067758 2-(4-Hydroxyphenyl)-3-[4-[2-(1-piperidinyl)ethoxy]phenoxy]benzo[b]thiophene-6-ol C27H27NO4S 461.166079 NA MeJP NA NA +C16578 Morphine-6-glucuronide C23H27NO9 461.1686 NA KEGG NA NA +C16643 Morphine-3-glucuronide C23H27NO9 461.1686 NA KEGG NA NA +MJ067759 Naamidine A; 14-Oxo, O11-Me C24H23N5O5 461.169918 NA MeJP NA NA +PJ001899 GPCW C21H27N5O5S 461.1733 NA PeJP NA NA +MJ067760 Glutamylalanylglutamylasparagine C17H27N5O10 461.175792 NA MeJP NA NA +PJ001900 GQEE C17H27N5O10 461.1758 NA PeJP NA NA +MJ067761 6-Butyl-1-[[3-fluoro-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1,2-dihydro-2-oxo-4-pyridinecarboxylic acid; Me ester C25H24FN5O3 461.186317 NA MeJP NA NA +PJ001901 SNNQ C16H27N7O9 461.187 NA PeJP NA NA +PJ001902 GDDR C16H27N7O9 461.1871 NA PeJP NA NA +PJ001903 QEW C21H27N5O7 461.1911 NA PeJP NA NA +PJ001904 SPQM C18H31N5O7S 461.1944 NA PeJP NA NA +MJ067762 Erysotrine, O16-De-Me, O-?-D-glucopyranoside C24H31NO8 461.204966 NA MeJP NA NA +PJ001905 SPCR C17H31N7O6S 461.2057 NA PeJP NA NA +PJ001906 AWW C25H27N5O4 461.2063 NA PeJP NA NA +PJ001907 GKEE C18H31N5O9 461.2122 NA PeJP NA NA +C06853 Bitolterol C28H31NO5 461.2202 NA KEGG NA NA +MJ067763 Bitolterol C28H31NO5 461.220223 NA MeJP NA NA +MJ067764 Speciosine, Deoxy C28H31NO5 461.220223 NA MeJP NA NA +MJ067765 Terbutaline, 3,5-Bis(4-methylbenzoyl) C28H31NO5 461.220223 NA MeJP NA NA +PJ001908 GTER C17H31N7O8 461.2234 NA PeJP NA NA +8079 synthetic peptide RWT 461.227 inhibitor Inhouse_peptide NA peptide +PJ001909 KEW C22H31N5O6 461.2275 NA PeJP NA NA +MJ067766 Pimozide C28H29F2N3O 461.227868 NA MeJP NA NA +C07566 Pimozide C28H29F2N3O 461.2279 NA KEGG NA NA +PJ001910 SPKM C19H35N5O6S 461.2308 NA PeJP NA NA +MJ067767 Antibiotic SF 2776 C21H31N7O5 461.238667 NA MeJP NA NA +PJ001911 TRW C21H31N7O5 461.2387 NA PeJP NA NA +MJ067768 Antibiotic Q 1047R-A C25H35NO7 461.241352 NA MeJP NA NA +MJ067769 Epilupinine, O-[?-L-Rhamnopyranosyl-(1?4)-4-hydroxy-E-cinnamoyl] C25H35NO7 461.241352 NA MeJP NA NA +MJ067770 Epilupinine, O-[?-L-Rhamnopyranosyl-(1?4)-4-hydroxy-Z-cinnamoyl] C25H35NO7 461.241352 NA MeJP NA NA +MJ067771 Isolankacidinol C25H35NO7 461.241352 NA MeJP NA NA +MJ067772 Lankacidin S C25H35NO7 461.241352 NA MeJP NA NA +MJ067773 Lankacidinol C25H35NO7 461.241352 NA MeJP NA NA +MJ067774 Lupinine, O-[?-L-Rhamnopyranosyl-(1?4)-4-hydroxy-E-cinnamoyl] C25H35NO7 461.241352 NA MeJP NA NA +MJ067775 Sessilistemonine C25H35NO7 461.241352 NA MeJP NA NA +PJ001912 GVMR C18H35N7O5S 461.2421 NA PeJP NA NA +PJ001913 SVKE C19H35N5O8 461.2486 NA PeJP NA NA +EUR820 Lyso PE 15:0 [M+Na]+ C20H42NO7P 461.251838 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR820 Lyso PE 15:0 [M+Na]+ C20H42NO7P 461.251838 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR820 Lyso PE 15:0 [M+Na]+ C20H42NO7P 461.251838 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR820 Lyso PE 15:0 [M+Na]+ C20H42NO7P 461.251838 masses lipides attendues Inhousejuil11 NA NA +MJ067776 Aeruginosin 298A; N1-De(argininolyl) C24H35N3O6 461.252585 NA MeJP NA NA +MJ067777 Antibiotic DC 102 C24H35N3O6 461.252585 NA MeJP NA NA +PJ001914 MRR C17H35N9O4S 461.2533 NA PeJP NA NA +EUR851 Lyso PE 18:3 [M-H-CH3]- C23H42NO7P 461.254242 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR851 Lyso PE 18:3 [M-H-CH3]- C23H42NO7P 461.254242 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR851 Lyso PE 18:3 [M-H-CH3]- C23H42NO7P 461.254242 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR851 Lyso PE 18:3 [M-H-CH3]- C23H42NO7P 461.254242 masses lipides attendues Inhousejuil11 NA NA +JH237 Taurocholic acid [M+H-3H2O]+ NA 461.2596 25.3 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH237 Taurocholic acid [M+H-3H2O]+ NA 461.2596 25.3 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH237 Taurocholic acid [M+H-3H2O]+ NA 461.2596 25.3 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH237 Taurocholic acid [M+H-3H2O]+ NA 461.2596 25.3 Inhousejuil11 NA NA +PJ001915 SSLR C18H35N7O7 461.2598 NA PeJP NA NA +PJ001916 APKF C23H35N5O5 461.2638 NA PeJP NA NA +PJ001917 ALKM C20H39N5O5S 461.2672 NA PeJP NA NA +MJ067778 Paraherquamide G; 14-Deoxy C28H35N3O3 461.267842 NA MeJP NA NA +MJ067779 Tubulosine, O10-De-Me C28H35N3O3 461.267842 NA MeJP NA NA +MJ067780 Tubulosine, O9-De-Me C28H35N3O3 461.267842 NA MeJP NA NA +MJ067781 Aconosine; 8,14-Di-Ac C26H39NO6 461.277737 NA MeJP NA NA +MJ067782 Franchetine; 14-Debenzoyl, 14-Ac C26H39NO6 461.277737 NA MeJP NA NA +MJ067783 Sisomicin; 6'-N-Me C20H39N5O7 461.284948 NA MeJP NA NA +MJ067784 Verdamicin C20H39N5O7 461.284948 NA MeJP NA NA +PJ001918 TTLK C20H39N5O7 461.285 NA PeJP NA NA +MJ067785 Antibiotic L 697318; Deoxy C30H39NO3 461.292994 NA MeJP NA NA +MJ067786 Echinulin C29H39N3O2 461.304227 NA MeJP NA NA +MJ067787 Methylbenzethonium(1+); Chloride C28H44ClNO2 461.306057 NA MeJP NA NA +MJ067788 Antibiotic PF 1163A; 11-Deoxy C27H43NO5 461.314123 NA MeJP NA NA +MJ067789 Severidine C27H43NO5 461.314123 NA MeJP NA NA +MJ067790 Veramanine C27H43NO5 461.314123 NA MeJP NA NA +MJ067791 Gentamicin C; Gentamicin C2b, 5-Deoxy, 6'-N-Me C21H43N5O6 461.321334 NA MeJP NA NA +HMDB00596 Glucosylsphingosine C24H47NO7 461.33524 http://www.hmdb.ca/metabolites/HMDB00596 HMDB NA NA +HMDB00648 Galactosylsphingosine C24H47NO7 461.33524 http://www.hmdb.ca/metabolites/HMDB00648 HMDB NA NA +HMDB00596 Glucosylsphingosine C24H47NO7 461.33524 HMDB00596 PFEM_hmdb_metabocards_official NA NA +HMDB00648 Galactosylsphingosine C24H47NO7 461.33524 HMDB00648 PFEM_hmdb_metabocards_official NA NA +MJ067792 Psychosine C24H47NO7 461.335252 NA MeJP NA NA +MetaCyc03631 psychosine [galactosylsphingosine;O-galactosylsphingosine;] C24H47N1O7 461.335253 2238-90-6 metacyc NA NA +HMDB00596 Glucosylsphingosine C24H47NO7 461.335266 NA HMDB2010 NA NA +HMDB00648 Galactosylsphingosine C24H47NO7 461.335266 NA HMDB2010 NA NA +C01747 Psychosine C24H47NO7 461.3353 NA KEGG NA NA +C03108 D-Glucosylsphingosine C24H47NO7 461.3353 NA KEGG NA NA +MJ067793 Lucidine B; 10,11,14,15,16,17-Hexadehydro C30H43N3O 461.340613 NA MeJP NA NA +MJ067794 Perifosine C25H52NO4P 461.363395 NA MeJP NA NA +3723 NA WWPKHNG 461.71295 MH2+ Inhouse_peptide NA peptide +8284 antioxidative peptide HVRETALV 461.7525 MH2+ Inhouse_peptide NA peptide +MJ067795 Thelepin C14H9Br3O3 461.810182 NA MeJP NA NA +C17100 Thelepin C14H9Br3O3 461.8102 NA KEGG NA NA +C13621 Tribromobisphenol A C15H13Br3O2 461.8466 NA KEGG NA NA +MJ067796 Russuphelin C C18H10Cl4O6 461.923148 NA MeJP NA NA +FL3FAGNSS002 Tricetin 7,3'-disulfate C15H10O13S2 461.95628 59176-60-2 knapsack NA NA +FL3FECNSS003 6-Hydroxyluteolin 6,7-disulfate C15H10O13S2 461.95628 111509-42-3 knapsack NA NA +FL5FACNSS004 Quercetin 3,7-di-O-sulfate C15H10O13S2 461.95628 106533-85-1 knapsack NA NA +FL5FACNSS005 Quercetin 3,3'-di-O-sulfate C15H10O13S2 461.95628 108909-05-3 knapsack NA NA +FL5FACNSS006 Quercetin 3,4'-di-O-sulfate C15H10O13S2 461.95628 71368-04-2 knapsack NA NA +MJ067797 3',4',5,5',7-Pentahydroxyflavone; 3',7-Di-O-sulfate C15H10O13S2 461.956281 NA MeJP NA NA +MJ067798 3',4',5,6,7-Pentahydroxyflavone; 6,7-Di-O-sulfate C15H10O13S2 461.956281 NA MeJP NA NA +MJ067799 3,3',4',5,7-Pentahydroxyflavone; 3',4'-Di-O-sulfate C15H10O13S2 461.956281 NA MeJP NA NA +MJ067800 3,3',4',5,7-Pentahydroxyflavone; 3,3'-Di-O-sulfate C15H10O13S2 461.956281 NA MeJP NA NA +MJ067801 3,3',4',5,7-Pentahydroxyflavone; 3,4'-Di-O-sulfate C15H10O13S2 461.956281 NA MeJP NA NA +MJ067802 3,3',4',5,7-Pentahydroxyflavone; 3,7-Di-O-sulfate C15H10O13S2 461.956281 NA MeJP NA NA +MetaCyc03632 quercetin-3,4-bissulfate [quercetin-3,4'-bissulfate;] C15H10O13S2 461.956282 NA metacyc NA NA +MetaCyc03633 quercetin-3,3-bissulfate [quercetin-3,3'-bissulfate;] C15H10O13S2 461.956282 NA metacyc NA NA +C01155 Quercetin 3,3'-bissulfate C15H10O13S2 461.9563 NA KEGG NA NA +C01156 Quercetin 3,4'-bissulfate C15H10O13S2 461.9563 NA KEGG NA NA +MJ067803 Octadecafluorodecahydronaphthalene C10F18 461.971257 NA MeJP NA NA +MJ067804 3-(3,4-Dihydroxyphenyl)-2,3-dihydro-6-(2-hydroxyethenyl)-1,4-benzodioxin-2-ol; 2,2''-Di-O-sulfate C16H14O12S2 461.992667 NA MeJP NA NA +MJ067805 3-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-(2-hydroxyethenyl)-1,4-benzodioxin-2-ol; 2,2''-Di-O-sulfate C16H14O12S2 461.992667 NA MeJP NA NA +MJ067806 Securamine C; 2,3,4,5-Tetrahydro, 3,4-didehydro C20H20BrClN4O2 462.045816 NA MeJP NA NA +MJ067807 Aranotin C20H18N2O7S2 462.055542 NA MeJP NA NA +MJ067808 3-(3,4-Difluorophenoxy)-5-methyl-4-[4-(methylsulfonyl)phenyl]-5-(2,2,2-trifluoroethyl)-2(5H)-furanone C20H15F5O5S 462.056035 NA MeJP NA NA +MJ067809 2,14-Dibromo-8,11(18)-obtusadiene-3,7-diol C20H32Br2O2 462.076905 NA MeJP NA NA +MJ067810 3,15-Dibromo-9(11)-isopimarene-7,16-diol C20H32Br2O2 462.076905 NA MeJP NA NA +MJ067811 Bromosphaerodiol C20H32Br2O2 462.076905 NA MeJP NA NA +MJ067812 Iriediol C20H32Br2O2 462.076905 NA MeJP NA NA +C06879 Cefamandole C18H18N6O5S2 462.078 NA KEGG NA NA +MJ067813 Cefamandole C18H18N6O5S2 462.078009 NA MeJP NA NA +MJ067814 Cefatrizine C18H18N6O5S2 462.078009 NA MeJP NA NA +MJ067815 Rimonabant C22H21Cl3N4O 462.078094 NA MeJP NA NA +C14319 SR 141716 C22H21Cl3N4O 462.0781 NA KEGG NA NA +C03515 Luteolin 7-O-glucuronide C21H18O12 462.0798 NA KEGG NA NA +FL1AACGS0004 Aureusidin 6-glucuronide C21H18O12 462.07982 65604-87-7 knapsack NA NA +FL3FACGS0004 Luteolin 5-glucuronide C21H18O12 462.07982 80358-01-6 knapsack NA NA +FL3FACGS0009 Luteolin 7-glucuronide C21H18O12 462.07982 29741-10-4 knapsack NA NA +FL3FACGS0010 Luteolin 7-galacturonide C21H18O12 462.07982 56324-53-9 knapsack NA NA +FL3FACGS0015 Luteolin 3'-glucuronide C21H18O12 462.07982 53527-42-7 knapsack NA NA +FL3FACGS0016 Luteolin 3'-galacturonide C21H18O12 462.07982 56317-12-5 knapsack NA NA +FL3FE8GS0001 5,6,7,2'-Tetrahydroxyflavone 7-glucuronide C21H18O12 462.07982 119152-49-7 knapsack NA NA +FL3FEAGS0001 Scutellarein 5-glucuronide C21H18O12 462.07982 22740-02-9 knapsack NA NA +FL3FEAGS0006 Scutellarein 7-glucuronide C21H18O12 462.07982 27740-01-8 knapsack NA NA +FL3FF8GS0006 5,7,8,2'-Tetrahydroxyflavone 7-glucuronide;5,8-Dihydroxy-2-(2-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid C21H18O12 462.07982 133640-36-5 knapsack NA NA +FL3FFAGS0002 Isoscutellarein 8-glucuronide C21H18O12 462.07982 56317-09-0 knapsack NA NA +FL5FAAGS0006 Kaempferol 3-glucuronide C21H18O12 462.07982 22688-78-4 knapsack NA NA +FL5FAAGS0016 Kaempferol 7-glucuronide C21H18O12 462.07982 - knapsack NA NA +FL5FAAGS0070 Kaempferol 5-glucuronide;3,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-5-yl beta-D-glucopyranosiduronic acid C21H18O12 462.07982 367522-86-9 knapsack NA NA +FLIEACGS0001 Demethylwedelolactone 3-O-glucoside C21H18O12 462.07982 30414-09-6 knapsack NA NA +MJ067816 1,3,8,9-Tetrahydroxycoumestan; 3-O-?-D-Glucopyranoside C21H18O12 462.079826 NA MeJP NA NA +MJ067817 2',5,6,7-Tetrahydroxyflavone; 7-O-?-D-Glucuronopyranoside C21H18O12 462.079826 NA MeJP NA NA +MJ067818 2',5,7,8-Tetrahydroxyflavone; 7-O-?-D-Glucuronoside C21H18O12 462.079826 NA MeJP NA NA +MJ067819 3',4',5,7-Tetrahydroxyflavone; 3'-O-?-D-Galacturonoside C21H18O12 462.079826 NA MeJP NA NA +MJ067820 3',4',5,7-Tetrahydroxyflavone; 3'-O-?-D-Glucuronopyranoside C21H18O12 462.079826 NA MeJP NA NA +MJ067821 3',4',5,7-Tetrahydroxyflavone; 4'-O-?-D-Glucuronopyranoside C21H18O12 462.079826 NA MeJP NA NA +MJ067822 3',4',5,7-Tetrahydroxyflavone; 5-O-?-D-Glucuronopyranoside C21H18O12 462.079826 NA MeJP NA NA +MJ067823 3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Galacturonoside C21H18O12 462.079826 NA MeJP NA NA +MJ067824 3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Glucuronopyranoside C21H18O12 462.079826 NA MeJP NA NA +MJ067825 3',4,4',6-Tetrahydroxyaurone; 6-O-Glucuronoside C21H18O12 462.079826 NA MeJP NA NA +MJ067826 3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Glucuronopyranoside C21H18O12 462.079826 NA MeJP NA NA +MJ067827 4',5,6,7-Tetrahydroxyflavone; 5-O-?-D-Glucuronopyranoside C21H18O12 462.079826 NA MeJP NA NA +MJ067828 4',5,6,7-Tetrahydroxyflavone; 6-O-?-D-Glucuronopyranoside C21H18O12 462.079826 NA MeJP NA NA +MJ067829 4',5,6,7-Tetrahydroxyflavone; 7-O-?-D-Glucuronopyranoside C21H18O12 462.079826 NA MeJP NA NA +MJ067830 4',5,7,8-Tetrahydroxyflavone; 7-O-?-D-Glucuronopyranoside C21H18O12 462.079826 NA MeJP NA NA +MJ067831 4',5,7,8-Tetrahydroxyflavone; 8-O-?-D-Glucuronopyranoside C21H18O12 462.079826 NA MeJP NA NA +MJ067832 Ellagic acid; 2,7-Di-Me ether, 3-O-?-L-arabinofuranoside C21H18O12 462.079826 NA MeJP NA NA +MJ067833 Ellagic acid; 3,8-Di-Me ether, 2-O-?-D-xylopyranoside C21H18O12 462.079826 NA MeJP NA NA +MJ067834 Ellagic acid; 3-Me ether, 7-O-?-D-rhamnopyranoside C21H18O12 462.079826 NA MeJP NA NA +MJ067835 Ellagic acid; 3-Me ether, 8-O-?-L-rhamnopyranoside C21H18O12 462.079826 NA MeJP NA NA +MetaCyc03634 luteolin 7-O-β-D-glucuronide [luteolin 7-O-glucuronide;] C21H18O12 462.079826 NA metacyc NA NA +MJ067836 Inoscavin A C25H18O9 462.095082 NA MeJP NA NA +MJ067837 Sapurimycin C25H18O9 462.095082 NA MeJP NA NA +MetaCyc03635 farnesyl triphosphate [] C15H29O10P3 462.097357 NA metacyc NA NA +C03115 Farnesyl triphosphate C15H29O10P3 462.0974 NA KEGG NA NA +MJ067838 5,7-Dihydroxyflavone; Dibenzoyl C29H18O6 462.110338 NA MeJP NA NA +C05990 Isoscoparine C22H22O11 462.1162 NA KEGG NA NA +C10104 6-Methoxyluteolin 7-rhamnoside C22H22O11 462.1162 NA KEGG NA NA +C10187 Swertiajaponin C22H22O11 462.1162 NA KEGG NA NA +C10533 Tectoridin C22H22O11 462.1162 NA KEGG NA NA +FL1A3CGS0007 Leptosin C22H22O11 462.11621 486-23-7 knapsack NA NA +FL3FA8GS0007 5,2',6'-Trihydroxy-7-methoxyflavone 2'-O-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-6-hydroxyphenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C22H22O11 462.11621 223599-62-0 knapsack NA NA +FL3FADCS0001 Isoscoparin C22H22O11 462.11621 20013-23-4 knapsack NA NA +FL3FADCS0002 (-)-Isoscoparin C22H22O11 462.11621 89759-25-1 knapsack NA NA +FL3FADCS0017 Scoparin;8-C-beta-D-Glucopyranosylchrysoeriol;Chrysoeriol 8-C-glucoside;Scoparoside;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C22H22O11 462.11621 301-16-6 knapsack NA NA +FL3FADCS0019 Episcoparin C22H22O11 462.11621 53156-94-8 knapsack NA NA +FL3FADGS0001 Luteolin 3'-methyl ether 5-glucoside C22H22O11 462.11621 74336-86-0 knapsack NA NA +FL3FADGS0004 Luteolin 3'-methyl ether 7-glucoside C22H22O11 462.11621 19993-32-9 knapsack NA NA +FL3FADGS0006 Luteolin 3'-methyl ether 4'-glucoside C22H22O11 462.11621 36451-44-2 knapsack NA NA +FL3FAECS0001 8-C-beta-D-Glucopyranosyldiosmetin;8-beta-D-Glucopyranosyl-5,7,3'-trihydroxy-4'-methoxyflavone;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one C22H22O11 462.11621 15822-81-8 knapsack NA NA +FL3FAECS0002 6-C-beta-D-Glucopyranosyldiosmetin;6-beta-D-Glucopyranosyl-5,7,3'-trihydroxy-4'-methoxyflavone;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one C22H22O11 462.11621 15822-82-9 knapsack NA NA +FL3FAEGS0001 Luteolin 4'-methyl ether 7-glucoside C22H22O11 462.11621 20126-59-4 knapsack NA NA +FL3FAEGS0010 Diosmetin 3'-glucoside C22H22O11 462.11621 141360-86-3 knapsack NA NA +FL3FAIGS0001 Tricin 7-xyloside C22H22O11 462.11621 - knapsack NA NA +FL3FAIGS0011 Setaricin;7-(alpha-L-Arabinopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one C22H22O11 462.11621 126394-59-0 knapsack NA NA +FL3FAIGS0012 Tricin 4'-apioside;2-[4-[(D-Apio-beta-D-furanosyl)oxy]-3,5-dimethoxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one C22H22O11 462.11621 368424-64-0 knapsack NA NA +FL3FBCCS0001 Parkinsonin A;8-D-Glucopyranosyl-7,3',4'-trihydroxy-5-methoxyflavone;2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-7-hydroxy-5-methoxy-4H-1-benzopyran-4-one C22H22O11 462.11621 6980-21-8 knapsack NA NA +FL3FBCGS0001 Luteolin 5-methyl ether 7-glucoside C22H22O11 462.11621 58115-30-3 knapsack NA NA +FL3FBCGS0003 Luteorin 5-methyl ether 3'-glucoside C22H22O11 462.11621 - knapsack NA NA +FL3FCCCS0001 Swertiajaponin;Leucanthoside;6-beta-D-glucopyranosyl-3',4',5-trihydroxy-7-methoxyflavone C22H22O11 462.11621 6980-25-2 knapsack NA NA +FL3FCCCS0002 Isoswertiajaponin;2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C22H22O11 462.11621 6980-41-2 knapsack NA NA +FL3FCCGS0001 Luteolin 7-methyl ether 5-glucoside C22H22O11 462.11621 83133-14-6 knapsack NA NA +FL3FE8GS0002 5,7,2'-Trihydroxy-6-methoxyflavone 7-O-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(2-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one C22H22O11 462.11621 226879-03-4 knapsack NA NA +FL3FEAGS0015 Hispidulin 7-glucoside C22H22O11 462.11621 17680-84-1 knapsack NA NA +FL3FEAGS0040 Scutellarein 7-methyl ether 6-galactoside C22H22O11 462.11621 107194-92-3 knapsack NA NA +FL3FEAGS0041 Scutellarein 7-methyl ether 6-glucoside C22H22O11 462.11621 89647-63-2 knapsack NA NA +FL3FEAGS0043 Scutellarein 4'-methyl ether 7-glucoside;Stachannin C22H22O11 462.11621 35536-70-0 knapsack NA NA +FL3FEAGS0048 Hispidulin 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one C22H22O11 462.11621 244285-12-9 knapsack NA NA +FL3FECGS0001 6-Methoxyluteolin 7-rhamnoside C22H22O11 462.11621 35682-55-4 knapsack NA NA +FL3FFAGS0016 Isoscutellarein 4'-methyl ether 8-glucoside;Takakin 8-O-beta-D-glucoside;8-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C22H22O11 462.11621 197019-92-4 knapsack NA NA +FL5F1CGS0004 Geraldol 4'-glucoside C22H22O11 462.11621 24502-05-4 knapsack NA NA +FL5FAAGM0001 6-C-Methylkaempferol 3-glucoside C22H22O11 462.11621 68116-36-9 knapsack NA NA +FL5FAAGM0002 8-C-Methylkaempferol 7-glucoside C22H22O11 462.11621 137052-33-6 knapsack NA NA +FL5FABGA0001 Kaempferide 3-galactoside C22H22O11 462.11621 78386-03-5 knapsack NA NA +FL5FABGL0001 Kaempferide 3-glucoside C22H22O11 462.11621 70324-47-9 knapsack NA NA +FL5FABGS0004 Mumenin C22H22O11 462.11621 16290-08-7 knapsack NA NA +FL5FADGS0004 Isorhamnetin 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C22H22O11 462.11621 67068-82-0 knapsack NA NA +FL5FADGS0009 Isorhamnetin 7-rhamnoside C22H22O11 462.11621 17331-72-5 knapsack NA NA +FL5FAEGS0001 Tamarixetin 3-rhamnoside C22H22O11 462.11621 87562-18-3 knapsack NA NA +FL5FBAGA0001 Kaempferol 5-methyl ether 3-galactoside C22H22O11 462.11621 28454-84-4 knapsack NA NA +FL5FBCGS0001 Azaleatin 3-rhamnoside C22H22O11 462.11621 29028-02-2 knapsack NA NA +FL5FCACS0001 Keyakinin;6-beta-D-Glucopyranosyl-3,4',5-trihydroxy-7-methoxyflavone;6-beta-D-Glucopyranosyl-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C22H22O11 462.11621 10515-26-1 knapsack NA NA +FL5FCAGA0001 Rhamnocitrin 3-galactoside C22H22O11 462.11621 99878-05-4 knapsack NA NA +FL5FCAGL0001 Rhamnocitrin 3-glucoside C22H22O11 462.11621 41545-37-3 knapsack NA NA +FL5FCAGS0001 Rhamnocitrin 3-alloside C22H22O11 462.11621 69292-78-0 knapsack NA NA +FL5FCAGS0004 Rhamnocitrin 5-glucoside C22H22O11 462.11621 93091-77-1 knapsack NA NA +FL5FCAGS0007 Kaempferol 7-methyl ether 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)phenyl]-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one C22H22O11 462.11621 178402-89-6 knapsack NA NA +FL5FCCGS0003 Rhamnetin 3-rhamnoside C22H22O11 462.11621 20188-83-4 knapsack NA NA +FL5FCEGS0001 Ombuin 3-arabinofuranoside;Quercetin 7,4'-dimethyl ether 3-arabinofuranoside;3-(D-Arabinofuranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C22H22O11 462.11621 178690-16-9 knapsack NA NA +FL5FDAGS0001 Isokaempferide 7-glucoside C22H22O11 462.11621 13454-27-8 knapsack NA NA +FL5FDCGS0004 Quercetin 3-methyl ether 7-rhamnoside;3-O-Methylquercetin 7-O-rhamnopyranoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-4H-1-benzopyran-4-one C22H22O11 462.11621 93373-14-9 knapsack NA NA +FL5FEAGS0005 Vogelin C22H22O11 462.11621 35286-53-4 knapsack NA NA +FL5FEAGS0006 6-Methoxykaempferol 3-rhamnoside C22H22O11 462.11621 104055-83-6 knapsack NA NA +FL5FEAGS0009 6-Methoxykaempferol 4'-rhamnoside C22H22O11 462.11621 124962-14-7 knapsack NA NA +FLIAADCS0001 Dalpanitin C22H22O11 462.11621 40522-83-6 knapsack NA NA +FLIAADGS0001 3'-O-Methylorobol 7-O-glucoside C22H22O11 462.11621 36190-96-2 knapsack NA NA +FLIAAEGS0001 Pratensein 7-O-glucoside C22H22O11 462.11621 36191-03-4 knapsack NA NA +FLIAEAGS0001 Tectoridin;Shekanin;Shekkanin;Tectorigenin 7-O-glucoside C22H22O11 462.11621 611-40-5 knapsack NA NA +FLIAFAGS0001 Isotectorigenin 7-O-glucoside C22H22O11 462.11621 13431-07-7 knapsack NA NA +FLNACCGS0001 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside C22H22O11 462.11621 116310-58-8 knapsack NA NA +FLNACCGS0002 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside C22H22O11 462.11621 112078-67-8 knapsack NA NA +MJ067839 1,3,5,8-Tetrahydroxy-2-methylanthraquinone; 8-Me ether, 3-O-?-D-glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067840 2',4',5,7-Tetrahydroxyflavone; 7-Me ether, 4'-O-?-D-glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067841 2',5,6',7-Tetrahydroxyflavone; 7-Me ether, 2'-O-?-D-glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067842 2',5,6,7-Tetrahydroxyflavone; 6-Me ether, 7-O-?-D-glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067843 2-Cinnamoyl-1-galloylglucose; ?-D-Pyranose-form C22H22O11 462.116211 NA MeJP NA NA +MJ067844 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-?-L-Rhamnopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067845 3',4',5,7-Tetrahydroxy-8-methylisoflavone; 7-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067846 3',4',5,7-Tetrahydroxyisoflavone; 3'-Me ether, 7-O-?-D-glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067847 3',4',5,7-Tetrahydroxyisoflavone; 4'-Me ether, 7-O-?-D-glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067848 3',4',5-Trihydroxy-7-methoxyflavone; 3'-O-?-D-Galactopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067849 3',4',5-Trihydroxy-7-methoxyflavone; 3'-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067850 3',4',5-Trihydroxy-7-methoxyflavone; 5-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067851 3',4',6,7-Tetrahydroxyaurone; 7-Me ether, 6-O-?-D-glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067852 3',4',7,8-Tetrahydroxyisoflavone; 3-Me ether, 8-O-?-D-glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067853 3',4',7-Trihydroxy-5-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067854 3',5,7-Trihydroxy-4'-methoxyflavone; 3'-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067855 3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067856 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-?-L-Rhamnopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067857 3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-?-L-Rhamnopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067858 3,3',4',7-Tetrahydroxyflavone; 3'-Me ether, 4'-O-?-D-glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067859 3,3',4',7-Tetrahydroxyflavone; 7-Me ether, 3-O-?-D-glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067860 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-?-L-Rhamnopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067861 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Rhamnopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067862 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-L-Rhamnofuranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067863 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-L-Rhamnopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067864 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 7-O-?-L-Rhamnopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067865 3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-?-L-Rhamnopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067866 3,4',5,7-Tetrahydroxy-6-methoxyflavone; 4'-O-?-L-Rhamnopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067867 3,4',5,7-Tetrahydroxy-6-methylflavone; 3-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067868 3,4',5,7-Tetrahydroxy-8-methoxyflavone; 7-O-?-L-Rhamnopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067869 3,4',5,7-Tetrahydroxy-8-methylflavone; 7-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067870 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-?-D-Allopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067871 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-?-D-Galactopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067872 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067873 3,4',5-Trihydroxy-7-methoxyflavone; 4'-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067874 3,4',5-Trihydroxy-7-methoxyflavone; 5-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067875 3,4',6,7-Tetrahydroxy-5-methoxyflavone; 4'-O-?-L-Rhamnopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067876 3,4',7-Trihydroxy-5-methoxyflavone; 3-O-?-D-Galactopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067877 3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-D-Galactopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067878 3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067879 3,5,7-Trihydroxy-4'-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067880 4',5,6,7,8-Pentahydroxyisoflavone; 8-Me ether, 6-O-?-L-rhamnopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067881 4',5,6,7-Tetrahydroxyflavone; 7-Me ether, 6-O-?-D-galactopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067882 4',5,6,7-Tetrahydroxyflavone; 7-Me ether, 6-O-?-D-glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067883 4',5,7,8-Tetrahydroxyisoflavone; 8-Me ether, 7-O-?-D-glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067884 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-?-L-Arabinopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067885 4',5,7-Trihydroxy-3'-methoxyflavone; 4'-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067886 4',5,7-Trihydroxy-3'-methoxyflavone; 5-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067887 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-?-D-Galactopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067888 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067889 4',5,7-Trihydroxy-3-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067890 4',5,7-Trihydroxy-6-methoxyflavone; 4'-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067891 4',5,7-Trihydroxy-6-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067892 4',5,7-Trihydroxy-6-methoxyisoflavone; 4'-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067893 4',5,7-Trihydroxy-6-methoxyisoflavone; 7-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067894 4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 7-Me ether, 5-O-?-D-galactopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067895 4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 7-Me ether, 5-O-?-D-glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067896 5,6,7-Trihydroxy-4'-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067897 5,7,8-Trihydroxy-4'-methoxyflavone; 8-O-?-D-Glucopyranoside C22H22O11 462.116211 NA MeJP NA NA +MJ067898 6-C-Glucopyranosyl-4',5,7,8-tetrahydroxyflavone; 8-Me ether C22H22O11 462.116211 NA MeJP NA NA +MJ067899 6-Glucopyranosyl-3,4',5,7-tetrahydroxyflavone; 7-Me ether C22H22O11 462.116211 NA MeJP NA NA +MJ067900 6-O-Cinnamoylglucose; ?-D-form, 1-O-(3,4,5-Trihydroxybenzoyl) C22H22O11 462.116211 NA MeJP NA NA +MJ067901 8-?-D-Galactopyranosyl-4',5,6,7-tetrahydroxyflavone; 6-Me ether C22H22O11 462.116211 NA MeJP NA NA +MJ067902 8-Glucopyranosyl-3',4',5,7-tetrahydroxyisoflavone; 3'-Me ether C22H22O11 462.116211 NA MeJP NA NA +MJ067903 8-Glucopyranosyl-4',5,6,7-tetrahydroxyflavone; 6-Me ether C22H22O11 462.116211 NA MeJP NA NA +MJ067904 8-Glucosyl-4',5,7-trihydroxy-3'-methoxyflavone; ?-D-Pyranose-form C22H22O11 462.116211 NA MeJP NA NA +MJ067905 Fukiic acid, 2-O-(3-Hydroxy-4-methoxy-E-cinnamoyl), 1-Me ester C22H22O11 462.116211 NA MeJP NA NA +MJ067906 Fukiic acid, 2-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 1-Me ester C22H22O11 462.116211 NA MeJP NA NA +MJ067907 Granatomycin D; 10-Hydroxy C22H22O11 462.116211 NA MeJP NA NA +MJ067908 Isoorientin; 4'-Me ether C22H22O11 462.116211 NA MeJP NA NA +MJ067909 Isoscoparin C22H22O11 462.116211 NA MeJP NA NA +MJ067910 Isoshekkangenin; O-Glucoside C22H22O11 462.116211 NA MeJP NA NA +MJ067911 Orientin; 4'-Me ether C22H22O11 462.116211 NA MeJP NA NA +MJ067912 Orientin; 5-Me ether C22H22O11 462.116211 NA MeJP NA NA +MJ067913 Orientin; 7-Me ether C22H22O11 462.116211 NA MeJP NA NA +MJ067914 Swertiajaponin C22H22O11 462.116211 NA MeJP NA NA +MJ067915 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 5-Me ether, 3-O-?-L-rhamnoside C22H23O11(+) 462.116211 NA MeJP NA NA +MJ067916 3,3',4',5-Tetrahydroxy-7-methoxyflavylium(1+); 3-O-?-D-Glucopyranoside C22H23O11(+) 462.116211 NA MeJP NA NA +MJ067917 3,3',4',7-Tetrahydroxy-5-methoxyflavylium(1+); 3-O-?-D-Glucopyranoside C22H23O11(+) 462.116211 NA MeJP NA NA +MJ067918 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-Arabinoside C22H23O11(+) 462.116211 NA MeJP NA NA +MJ067919 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-?-D-Glucopyranoside C22H23O11(+) 462.116211 NA MeJP NA NA +MJ067920 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-D-Galactopyranoside C22H23O11(+) 462.116211 NA MeJP NA NA +MJ067921 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 5-O-?-D-Glucopyranoside C22H23O11(+) 462.116211 NA MeJP NA NA +MJ067922 Artoindonesianin C C26H22O8 462.131467 NA MeJP NA NA +MJ067923 Artomunoxanthentrione; 9a,13a-Epoxide C26H22O8 462.131467 NA MeJP NA NA +MJ067924 Isodiospyrin, 6',7-Diethoxy C26H22O8 462.131467 NA MeJP NA NA +MJ067925 Isodiospyrin, 6,6'-Diethoxy C26H22O8 462.131467 NA MeJP NA NA +MJ067926 Isodiospyrin, 6,7'-Diethoxy C26H22O8 462.131467 NA MeJP NA NA +MJ067927 Isodiospyrin, 7,7'-Diethoxy C26H22O8 462.131467 NA MeJP NA NA +PJ001919 TCCH C16H26N6O6S2 462.1355 NA PeJP NA NA +MJ067928 D-glycero-L-manno-Heptose; 2,3,4,5,6,7-Hexa-Ac C19H26O13 462.13734 NA MeJP NA NA +MJ067929 Sucrose; 6-(4-Hydroxybenzoyl) C19H26O13 462.13734 NA MeJP NA NA +MJ067930 Chloro[3-[[[[1-[(2-ethyl-2-mercaptobutyl)amino]cyclohexyl]methyl]amino]methyl]-3-pentanethiolato(2-)-N,N',S,S']gallium C19H38ClGaN2S2 462.142074 NA MeJP NA NA +PJ001920 PCDE C17H26N4O9S 462.1421 NA PeJP NA NA +MJ067931 Cryptomisrine C31H18N4O 462.148061 NA MeJP NA NA +FL1CDAGS0001 4,2'-Dihydroxy-4',6'-dimethoxychalcone 4-glucoside C23H26O10 462.15259 68984-71-4 knapsack NA NA +FL2FAAGM0002 Cyrtopterin C23H26O10 462.15259 - knapsack NA NA +FL2FF9GS0003 Andrographidin A C23H26O10 462.15259 11363-37-4 knapsack NA NA +FL3FGLNS0008 Agehoustin A C23H26O10 462.15259 87402-97-8 knapsack NA NA +FL4DCBGS0001 Aurapin C23H26O10 462.15259 76733-22-7 knapsack NA NA +FL5FGGNS0014 Exoticin C23H26O10 462.15259 13364-94-8 knapsack NA NA +FL5FGLNS0013 Purpurascenin C23H26O10 462.15259 79105-52-5 knapsack NA NA +FLID1CGS0005 Methylnissolin 3-O-glucoside C23H26O10 462.15259 94367-42-7 knapsack NA NA +MJ067932 1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13,14-di-Ac C23H26O10 462.152597 NA MeJP NA NA +MJ067933 1,5-Bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol, 3''-Deoxy, 2-O-?-D-glucopyranoside C23H26O10 462.152597 NA MeJP NA NA +MJ067934 2',3',4',5,5',6,7,8-Octahydroxyflavone; Octa-Me ether C23H26O10 462.152597 NA MeJP NA NA +MJ067935 2',3,4',5,5',6,7,8-Octahydroxyflavone; Octa-Me ether C23H26O10 462.152597 NA MeJP NA NA +MJ067936 2',4,4',6'-Tetrahydroxychalcone; 2',4'-Di-Me ether, 4-O-?-D-glucopyranoside C23H26O10 462.152597 NA MeJP NA NA +MJ067937 2',4,4',6'-Tetrahydroxychalcone; 4',6'-Di-Me ether, 4-O-?-D-glucopyranoside C23H26O10 462.152597 NA MeJP NA NA +MJ067938 2,3-Epoxy-8,9-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2R,3R-Epoxy-2-methylbutanoyl), 9-Ac, Me ester C23H26O10 462.152597 NA MeJP NA NA +MJ067939 2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13,14-di-Ac C23H26O10 462.152597 NA MeJP NA NA +MJ067940 2,5-Epoxy-2,8,9-trihydroxy-1(10),3,11(13)-germacratrien-12,6-olid-14-oic acid, 8-Angeloyl, 9-Ac, Me ester C23H26O10 462.152597 NA MeJP NA NA +MJ067941 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[4-Hydroxy-E-cinnamoyl-(?4)-?-D-glucopyranoside] C23H26O10 462.152597 NA MeJP NA NA +MJ067942 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C23H26O10 462.152597 NA MeJP NA NA +MJ067943 2-(3,4-Dihydroxyphenyl)ethanol; 4'-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C23H26O10 462.152597 NA MeJP NA NA +MJ067944 2-(4-Hydroxyphenyl)ethanol; 1-O-[3,4-Dihydroxycinnamoyl-(?4)-?-D-glucopyranoside] C23H26O10 462.152597 NA MeJP NA NA +MJ067945 3,13:11,12-Diepoxy-2,3-dihydroxy-6-oxo-4,7,15(17)-cembratrien-20,10-olid-16-oic acid; 2-Ac, Me ester C23H26O10 462.152597 NA MeJP NA NA +MJ067946 3,3',4',5,5',6,7,8-Octahydroxyflavone; Octa-Me ether C23H26O10 462.152597 NA MeJP NA NA +MJ067947 3,4',5,7-Tetrahydroxyflavanone, 4',7-Di-Me ether, 3-O-?-L-rhamnopyranoside C23H26O10 462.152597 NA MeJP NA NA +MJ067948 3,9,10-Trihydroxypterocarpan, 9,10-Di-Me ether, 3-O-?-D-glucopyranoside C23H26O10 462.152597 NA MeJP NA NA +MJ067949 4',5,7-Trihydroxy-6,8-dimethylflavanone, 7-O-?-D-Glucopyranoside C23H26O10 462.152597 NA MeJP NA NA +MJ067950 4',5,7-Trihydroxy-6,8-dimethylflavanone, O-Glucoside C23H26O10 462.152597 NA MeJP NA NA +MJ067951 4',5,7-Trihydroxyflavanone, 5,7-Di-Me ether, 4'-O-?-D-glucopyranoside C23H26O10 462.152597 NA MeJP NA NA +MJ067952 4,5-Epoxy-8,9-dihydroxy-1(10),2,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2R,3R-Epoxy-2-methylbutanoyl), 9-Ac, Me ester C23H26O10 462.152597 NA MeJP NA NA +MJ067953 4-Hydroxy-4-(2-hydroxyethyl)-2,5-cyclohexadien-1-one; 2'-O-[6-O-(4-Hydroxycinnamoyl)-?-D-glucopyranoside](E-) C23H26O10 462.152597 NA MeJP NA NA +MJ067954 5,7,8-Trihydroxyflavanone, 7,8-Di-Me ether, 5-O-?-D-glucopyranoside C23H26O10 462.152597 NA MeJP NA NA +MJ067955 Lactiflorin C23H26O10 462.152597 NA MeJP NA NA +MJ067956 Phyllodulcin, 3'-Me ether, 8-O-?-D-glucopyranoside C23H26O10 462.152597 NA MeJP NA NA +MJ067957 Sergeolide; 15-O-De-Ac C23H26O10 462.152597 NA MeJP NA NA +PJ001921 GEEE C17H26N4O11 462.1598 NA PeJP NA NA +FLIAALNP0018 Euchrenone b3;5-Hydroxy-2'-methoxy-4',5'-methylenedioxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone C27H26O7 462.16785 119061-11-9 knapsack NA NA +MJ067958 Bletilol B C27H26O7 462.167853 NA MeJP NA NA +MJ067959 Bletilol C C27H26O7 462.167853 NA MeJP NA NA +MJ067960 Euchrenone b3 C27H26O7 462.167853 NA MeJP NA NA +PJ001922 GCHF C20H26N6O5S 462.1686 NA PeJP NA NA +PJ001923 SNNE C16H26N6O10 462.1711 NA PeJP NA NA +MJ067961 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] C20H30O12 462.173726 NA MeJP NA NA +MJ067962 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C20H30O12 462.173726 NA MeJP NA NA +MJ067963 Suspensoside A; 7?-Acetoxy, 10-Ac C20H30O12 462.173726 NA MeJP NA NA +PJ001924 EEW C21H26N4O8 462.1751 NA PeJP NA NA +PJ001925 SPEM C18H30N4O8S 462.1785 NA PeJP NA NA +MJ067964 Limocrocin C26H26N2O6 462.179086 NA MeJP NA NA +MJ067965 Mecrifurone C26H26N2O6 462.179086 NA MeJP NA NA +MJ067966 Plicamine C26H26N2O6 462.179086 NA MeJP NA NA +C12254 (+)-Plicamine C26H26N2O6 462.1791 NA KEGG NA NA +MJ067967 5,6-Dihydroxy-7-protoilluden-14-al, 6-Me ether, 5-(3-chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) C25H31ClO6 462.180916 NA MeJP NA NA +MJ067968 Ilicicolin F C25H31ClO6 462.180916 NA MeJP NA NA +MJ067969 Biscryptolepine C32H22N4 462.184446 NA MeJP NA NA +PJ001926 GSNW C20H26N6O7 462.1863 NA PeJP NA NA +MJ067970 1,3,5,11,14-Pentahydroxy-12,19-dioxobufa-20,22-dienolide C24H30O9 462.188982 NA MeJP NA NA +MJ067971 1,5,6,9,13-Pentahydroxy-7-protilluden-14-al, 5-O-(2-Hydroxy-4-methoxy-6-methylbenzoyl) C24H30O9 462.188982 NA MeJP NA NA +MJ067972 2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 8-Angeloyl, 2,9-di-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067973 3,10-Epoxy-1,3,13-trihydroxy-4,7(11)-germacradien-12,6-olide, 1-Tigloyl, 3,13-di-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067974 3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-2-methyl-2E-butenoyl), 3-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067975 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-2-hydroxymethyl-2E-butenoyl), 3-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067976 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[2-Acetoxymethyl-4-hydroxy-2E-butenoyl], 3-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067977 4,18:10,12:15,16-Triepoxy-6,12,19-trihydroxy-3(16),14-clerodadien-3-one, 6,19-Di-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067978 4,18:12,20:15,16-Triepoxy-6,19,20-trihydroxy-13(16),14-clerodadien-7-one, 19,20-Di-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067979 4,18:12,20:15,16-Triepoxy-7,19,20-trihydroxy-13(16),14-clerodadien-6-one, 19,20-Di-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067980 4,18:15,16-Diepoxy-2,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6,19-Di-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067981 4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 3,19-Di-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067982 4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6,19-Di-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067983 4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 3,19-Di-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067984 4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6,19-Di-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067985 4,18:15,16-Diepoxy-6,7,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6,19-Di-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067986 4,18:7,20:15,16-Triepoxy-12,19,20-trihydroxy-13(16),14-clerodadien-6-one, 12,19-Di-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067987 8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-3-hydroxy-2-methylenebutanoyl), 15-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067988 8,17-Epoxy-2,3,9,12-tetrahydroxy-5,13-briaradien-18,7-olide; 12-Ketone, 2,3-di-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067989 Alysine A C24H30O9 462.188982 NA MeJP NA NA +MJ067990 Juniperin C24H30O9 462.188982 NA MeJP NA NA +MJ067991 Loxothyrin A C24H30O9 462.188982 NA MeJP NA NA +MJ067992 Macrocalyxin A C24H30O9 462.188982 NA MeJP NA NA +MJ067993 Retrocalamin C24H30O9 462.188982 NA MeJP NA NA +MJ067994 Teulanigin; 20-Epimer, 3-De-Ac C24H30O9 462.188982 NA MeJP NA NA +MJ067995 Teupyrin A C24H30O9 462.188982 NA MeJP NA NA +PJ001927 GQQM C17H30N6O7S 462.1897 NA PeJP NA NA +MJ067996 Penlysinum C22H30N4O5S 462.19369 NA MeJP NA NA +PJ001928 PPCF C22H30N4O5S 462.1937 NA PeJP NA NA +PJ001929 SVEE C18H30N4O10 462.1962 NA PeJP NA NA +PJ001930 PCLM C19H34N4O5S2 462.1971 NA PeJP NA NA +MJ067997 Amicoumacin C; N-Propanoyl C23H30N2O8 462.200215 NA MeJP NA NA +PJ001931 GCQR C16H30N8O6S 462.2009 NA PeJP NA NA +MJ067998 1,2-Dihydro-5,12-dihydroxy-1,1,2,10,10-pentamethyl-4-(3-methyl-2-butenyl)-6H,10H-furo[3,2-h]pyrano[3,2-b]xanthen-6-one C28H30O6 462.204238 NA MeJP NA NA +MJ067999 10-(1,1-Dimethyl-2-propenyl)-7,9,12-trihydroxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H,6H-pyrano[3,2-b]xanthen-6-one C28H30O6 462.204238 NA MeJP NA NA +MJ068000 Caloxanthone J C28H30O6 462.204238 NA MeJP NA NA +MJ068001 Latisxanthone C C28H30O6 462.204238 NA MeJP NA NA +MJ068002 Maculatoxanthone C28H30O6 462.204238 NA MeJP NA NA +MJ068003 Pentadesmaxanthone C28H30O6 462.204238 NA MeJP NA NA +MJ068004 Rocaglatic acid; Decarboxy, 8b-Et ether C28H30O6 462.204238 NA MeJP NA NA +MJ068005 Scandenin; Di-Me ether C28H30O6 462.204238 NA MeJP NA NA +MJ068006 Tovophyllin A C28H30O6 462.204238 NA MeJP NA NA +PJ001932 SNDK C17H30N6O9 462.2074 NA PeJP NA NA +PJ001933 GGSDK C17H30N6O9 462.2075 NA PeJP NA NA +C11640 Patrinoside C21H34O11 462.2101 NA KEGG NA NA +C17068 Valerosidatum C21H34O11 462.2101 NA KEGG NA NA +MJ068007 Lonitoside C21H34O11 462.210111 NA MeJP NA NA +MJ068008 Patrinoside C21H34O11 462.210111 NA MeJP NA NA +MJ068009 Urceolide C21H34O11 462.210111 NA MeJP NA NA +MJ068010 Valerosidatum C21H34O11 462.210111 NA MeJP NA NA +PJ001934 SPPY C22H30N4O7 462.2115 NA PeJP NA NA +PJ001935 ALEM C19H34N4O7S 462.2148 NA PeJP NA NA +PJ001936 SSNR C16H30N8O8 462.2187 NA PeJP NA NA +MJ068011 Sceptrin; Bis(debromo) C22H26N10O2 462.22402 NA MeJP NA NA +MJ068012 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 3-(2-methylbutanoyl) C25H34O8 462.225368 NA MeJP NA NA +MJ068013 11,17,21-Trihydroxypregn-4-ene-3,20-dione, 21-(3-Carboxypropanoyl) C25H34O8 462.225368 NA MeJP NA NA +MJ068014 17,18-Epoxy-11,18-dihydroxy-1(19),6,10(17),13-xenicatetraen-15-oic acid; 6?,7?-Epoxide, di-Ac, Me ester C25H34O8 462.225368 NA MeJP NA NA +MJ068015 2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 2,4-Diangeloyl C25H34O8 462.225368 NA MeJP NA NA +MJ068016 3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 16-Ac C25H34O8 462.225368 NA MeJP NA NA +MJ068017 3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-Ac C25H34O8 462.225368 NA MeJP NA NA +MJ068018 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl), 3-(3-methylbutanoyl) C25H34O8 462.225368 NA MeJP NA NA +MJ068019 4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2-Hydroxymethyl-2Z-butenoyl), 8-(2-methylbutanoyl) C25H34O8 462.225368 NA MeJP NA NA +MJ068020 6,7,14-Trihydroxy-18-vouacapanoic acid, 6,7-Di-Ac, Me ester C25H34O8 462.225368 NA MeJP NA NA +MJ068021 8-Daucene-2,4,6-triol, 8?,9?-Epoxide, 6-(4-hydroxy-3-methoxybenzoyl), 2-Ac C25H34O8 462.225368 NA MeJP NA NA +MJ068022 Anodendrosin H C25H34O8 462.225368 NA MeJP NA NA +MJ068023 Anodendrosin I C25H34O8 462.225368 NA MeJP NA NA +MJ068024 Atranone F; 13-Methoxy C25H34O8 462.225368 NA MeJP NA NA +MJ068025 Branacenal; 20-Carboxylic acid, Me ester C25H34O8 462.225368 NA MeJP NA NA +MJ068026 Centrolobol, 3-O-?-D-Glucopyranoside C25H34O8 462.225368 NA MeJP NA NA +MJ068027 Centrolobol, 4''-O-?-D-Glucopyranoside C25H34O8 462.225368 NA MeJP NA NA +HMDB10337 6-Dehydrotestosterone glucuronide C25H34O8 462.225372 NA HMDB2010 NA NA +C12888 Hydrocortisone succinate C25H34O8 462.2254 NA KEGG NA NA +PJ001937 GQKM C18H34N6O6S 462.2261 NA PeJP NA NA +PJ001938 TTLE C19H34N4O9 462.2326 NA PeJP NA NA +PJ001939 GLHH C20H30N8O5 462.2339 NA PeJP NA NA +PJ001940 GCKR C17H34N8O5S 462.2373 NA PeJP NA NA +MJ068028 Mulberrofuran X C29H34O5 462.240624 NA MeJP NA NA +MJ068029 Salacia quinonemethide C29H34O5 462.240624 NA MeJP NA NA +MJ068030 Amelometasone C26H35FO6 462.241767 NA MeJP NA NA +MJ068031 Fluprednisolone; 17-Pentanoyl C26H35FO6 462.241767 NA MeJP NA NA +MJ068032 Triamcinolone; 16,17-(Pentan-3-one) ketal C26H35FO6 462.241767 NA MeJP NA NA +PJ001941 STQK C18H34N6O8 462.2438 NA PeJP NA NA +MJ068033 3,3-Dimethylbicyclo[2.2.1]heptane-2-methanol, O-Rutinoside C22H38O10 462.246497 NA MeJP NA NA +MJ068034 3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-glucopyranoside] C22H38O10 462.246497 NA MeJP NA NA +MJ068035 3,7-Dimethyl-1,6-octadien-3-ol, O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C22H38O10 462.246497 NA MeJP NA NA +MJ068036 3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-glucopyranoside] C22H38O10 462.246497 NA MeJP NA NA +MJ068037 3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[?-L-Fucopyranosyl-(1?6)-?-D-glucopyranoside] C22H38O10 462.246497 NA MeJP NA NA +MJ068038 3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] C22H38O10 462.246497 NA MeJP NA NA +MJ068039 3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C22H38O10 462.246497 NA MeJP NA NA +PJ001942 APLY C23H34N4O6 462.2479 NA PeJP NA NA +MJ068040 Frabuprofen C26H33F3N2O2 462.249412 NA MeJP NA NA +PJ001943 SLLM C20H38N4O6S 462.2512 NA PeJP NA NA +MJ068041 4-Fluoro-?-[[1-[3-[5-(4H-1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]-4-piperidinyl]amino]benzeneethanol C26H31FN6O 462.254337 NA MeJP NA NA +PJ001944 PPLH C22H34N6O5 462.2591 NA PeJP NA NA +HMDB10340 Retinyl beta-glucuronide C26H38O7 462.261749 NA HMDB2010 NA NA +MJ068042 1(5),6,10(20)-Grayanotoxatriene-3,16-diol, 3-O-?-D-Glucopyranoside C26H38O7 462.261753 NA MeJP NA NA +MJ068043 13(15),16-Spatadiene-5,14,18,19-tetrol, 5,14,19-Tri-Ac C26H38O7 462.261753 NA MeJP NA NA +MJ068044 15,16-Epoxy-3,12-clerodadiene-14,15,16-triol, Tri-Ac C26H38O7 462.261753 NA MeJP NA NA +MJ068045 15,16-Epoxy-4(18),12-clerodadiene-14,15,16-triol, Tri-Ac C26H38O7 462.261753 NA MeJP NA NA +MJ068046 15,17-Epoxy-6,17-dihydroxy-16-spongianone, 6-Butanoyl, 17-Ac C26H38O7 462.261753 NA MeJP NA NA +MJ068047 18,19-Epoxy-13(16),14-clerodadiene-2,18,19-triol; Tri-Ac C26H38O7 462.261753 NA MeJP NA NA +MJ068048 18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 6-Deoxy, 3,4-dihydro, 2,18,19-tri-Ac C26H38O7 462.261753 NA MeJP NA NA +MJ068049 2,9:3,16-Diepoxy-7(19)-asbestinene-4,6,11-triol, 6-Ketone, 11-butanoyl, 4-Ac C26H38O7 462.261753 NA MeJP NA NA +MJ068050 3,10(18),14-Prenylguaiatriene-6,9,12,13-tetrol, 6,12,13-Tri-Ac C26H38O7 462.261753 NA MeJP NA NA +MJ068051 3,5,12,15-Tetrahydroxy-6(17),12-lathyradien-14-one, 3-Butanoyl, 5-Ac C26H38O7 462.261753 NA MeJP NA NA +MJ068052 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Tigloyl C26H38O7 462.261753 NA MeJP NA NA +MJ068053 4(20),11-Taxadiene-5,9,10,13-tetrol, 9,10,13-Tri-Ac C26H38O7 462.261753 NA MeJP NA NA +MJ068054 6,13-Epoxy-3,8-eunicelladiene-2,12,15-triol, Tri-Ac C26H38O7 462.261753 NA MeJP NA NA +MJ068055 7,15-Isopimaradiene-2,3,19-triol, 19-O-?-D-threo-Hex-4-enodialdo-1,5-pyranoside C26H38O7 462.261753 NA MeJP NA NA +MJ068056 8(14)-Pimarene-2,3,15,16-tetrol, 2-Ketone, 3,15,16-tri-Ac C26H38O7 462.261753 NA MeJP NA NA +MJ068057 8,15-Isopimaradiene-1,7,14,18-tetrol, 7,14,18-Tri-Ac C26H38O7 462.261753 NA MeJP NA NA +MJ068058 Antibiotic CJ 13015; 10'-Alcohol, 10'-Ac C26H38O7 462.261753 NA MeJP NA NA +MJ068059 Vibsanin H; 15-Hydroperoxide, 18-Me ether C26H38O7 462.261753 NA MeJP NA NA +MetaCyc03636 10-desacetyltaxuyunnanin C [] C26H38O7 462.261754 NA metacyc NA NA +C15538 10-Desacetyltaxuyunnanin C C26H38O7 462.2618 NA KEGG NA NA +C15539 Anthocyanidin 3-O-beta-D-glucoside C21H20O10R 462.2618 NA KEGG NA NA +C15540 Anthocyanidin 3-O-(6-O-malonyl-beta-D-glucoside) C24H22O13R 462.2618 NA KEGG NA NA +C15541 NDP-glucose C11H21O15P2R 462.2618 NA KEGG NA NA +PJ001945 GKKM C19H38N6O5S 462.2625 NA PeJP NA NA +MJ068060 N-Acetylvalyl-N-[2-(1H-indol-3-yl)ethenyl]-N?-methylphenylalaninamide; 1',2'-Dihydro C27H34N4O3 462.26309 NA MeJP NA NA +MJ068061 N-[3-[[2-(3,5-Dimethoxyphenyl)ethyl]methylamino]propyl]-4-[4-(1H-imidazol-1-yl)phenyl]-3-butenamide C27H34N4O3 462.26309 NA MeJP NA NA +FL1DQUNI0003 Helilupolone C30H38O4 462.277 72247-85-9 knapsack NA NA +FL6F1CNI0002 Kazinol E C30H38O4 462.277 104494-34-0 knapsack NA NA +FL6F1CNI0003 Kazinol Q;(+)-4-[6-(1,1-Dimethyl-2-propenyl)-3,4-dihydro-7-hydroxy-2H-1-benzopyran-2-yl]-3,6-bis(3-methyl-2-butenyl)-1,2-benzenediol C30H38O4 462.277 219908-10-8 knapsack NA NA +MJ068062 3,12-Dioxo-13,15,17(20),22,24-isomalabaricapentaen-26,22-olide C30H38O4 462.277009 NA MeJP NA NA +MJ068063 8,8'-Bi-7(11),9-eremophiladien-12,8-olide C30H38O4 462.277009 NA MeJP NA NA +MJ068064 Biatractylolide C30H38O4 462.277009 NA MeJP NA NA +MJ068065 Biepiasterolide C30H38O4 462.277009 NA MeJP NA NA +MJ068066 Cochloxanthin C30H38O4 462.277009 NA MeJP NA NA +MJ068067 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-[3-(4-Propoxyphenyl)propanoyl] C30H38O4 462.277009 NA MeJP NA NA +MJ068068 Helilupulone C30H38O4 462.277009 NA MeJP NA NA +MJ068069 Kazinol D; 3,4-Didehydro C30H38O4 462.277009 NA MeJP NA NA +MJ068070 Kazinol E C30H38O4 462.277009 NA MeJP NA NA +MJ068071 Kazinol Q C30H38O4 462.277009 NA MeJP NA NA +MJ068072 Lancilactone A; 6-Deoxy, 6,7-didehydro C30H38O4 462.277009 NA MeJP NA NA +MJ068073 Netzahualcoyondiol; 21,22-Bisdeoxy C30H38O4 462.277009 NA MeJP NA NA +MJ068074 Petrosynol; 15,16-Dihydro, 14,17-diketone C30H38O4 462.277009 NA MeJP NA NA +PJ001946 STKK C19H38N6O7 462.2802 NA PeJP NA NA +PJ001947 ALLF C24H38N4O5 462.2842 NA PeJP NA NA +C02513 3-Dehydroecdysone C27H42O6 462.2981 NA KEGG NA NA +C08832 Podecdysone B C27H42O6 462.2981 NA KEGG NA NA +MJ068075 1,3-Dihydroxy-25,26,27-trinorcycloartane-24,28-dioic acid C27H42O6 462.298139 NA MeJP NA NA +MJ068076 11-Eremophilene-3,8,9-triol, 3-(4-Hex-2Z-enoyloxy-2Z-hexenoyl) C27H42O6 462.298139 NA MeJP NA NA +MJ068077 2,3,14,20,22-Pentahydroxycholesta-4,7-dien-6-one C27H42O6 462.298139 NA MeJP NA NA +MJ068078 2,3,14,20,22-Pentahydroxycholesta-7,24-dien-6-one C27H42O6 462.298139 NA MeJP NA NA +MJ068079 2,3,16,17-Phyllocladanetetrol, 2-(3-Methyl-2-butenoyl), 3-Ac C27H42O6 462.298139 NA MeJP NA NA +MJ068080 2,3,20,22,25-Pentahydroxy-14-methyl-18-norcholesta-7,12-dien-6-one C27H42O6 462.298139 NA MeJP NA NA +MJ068081 2,3,20,22,25-Pentahydroxycholesta-7,14-dien-6-one C27H42O6 462.298139 NA MeJP NA NA +MJ068082 2,3,20,22,25-Pentahydroxycholesta-8,14-dien-6-one C27H42O6 462.298139 NA MeJP NA NA +MJ068083 2,3,5,14,20,22-Hexahydroxycholesta-7,9(11)-dien-6-one, 5-Deoxy C27H42O6 462.298139 NA MeJP NA NA +MJ068084 2,3,6-Trihydroxyspirostan-12-one C27H42O6 462.298139 NA MeJP NA NA +MJ068085 7,14-Labdadiene-2,3,13,20-tetrol, 2-Angeloyl, 20-Ac C27H42O6 462.298139 NA MeJP NA NA +MJ068086 7-Abietene-14,18-diol, 18-(Ethyl malonoyl), 14-Ac C27H42O6 462.298139 NA MeJP NA NA +MJ068087 8(14)-Abietene-7,18-diol, 18-(Ethyl malonoyl), 7-Ac C27H42O6 462.298139 NA MeJP NA NA +MJ068088 8(17),14-Labdadiene-2,7,13,20-tetrol, 2-Angeloyl, 20-Ac C27H42O6 462.298139 NA MeJP NA NA +MJ068089 Lucidenic acid M C27H42O6 462.298139 NA MeJP NA NA +MJ068090 Pregna-5,20-dien-3-ol, ?-D-Galactopyranoside C27H42O6 462.298139 NA MeJP NA NA +MJ068091 Shidasterone C27H42O6 462.298139 NA MeJP NA NA +MJ068092 Spirost-25(27)-ene-1,2,3,5-tetrol C27H42O6 462.298139 NA MeJP NA NA +MJ068093 Spirost-25(27)-ene-1,3,4,5-tetrol C27H42O6 462.298139 NA MeJP NA NA +MJ068094 Spirost-25(27)-ene-1,3,5,6-tetrol C27H42O6 462.298139 NA MeJP NA NA +MJ068095 Spirost-5-ene-1,3,23,24-tetrol C27H42O6 462.298139 NA MeJP NA NA +MJ068096 Spirostane-2,3,5,6-tetrol, 6-Ketone C27H42O6 462.298139 NA MeJP NA NA +MetaCyc03637 3-dehydroecdysone [] C27H42O6 462.298139 NA metacyc NA NA +MJ068097 Protoverbine; N9-E-Cinnamoyl C28H38N4O2 462.299476 NA MeJP NA NA +MJ068098 Protoverbine; N9-Z-Cinnamoyl C28H38N4O2 462.299476 NA MeJP NA NA +MJ068099 2-Hexaprenyl-6-methoxy-1,4-benzoquinone C31H42O3 462.313395 NA MeJP NA NA +MJ068100 Paracentrone C31H42O3 462.313395 NA MeJP NA NA +MJ068101 Sintaxanthin; 3-Hydroxy, 5,6-epoxide C31H42O3 462.313395 NA MeJP NA NA +MJ068102 Thiothece 460 C31H42O3 462.313395 NA MeJP NA NA +MJ068103 3,20-Diaminopregn-2-en-4-ol, 4-Ketone, N20,N20-di-Me, N3-benzoyl C30H42N2O2 462.324628 NA MeJP NA NA +MJ068104 Alfileramine C30H42N2O2 462.324628 NA MeJP NA NA +MJ068105 Culantraramine, N,N'-Di-de-Me C30H42N2O2 462.324628 NA MeJP NA NA +MJ068106 Isoalfileramine C30H42N2O2 462.324628 NA MeJP NA NA +MJ068107 13,17,19-Villanovanetriol, 19-O-(3-Methylpentanoyl), 17-Ac C28H46O5 462.334524 NA MeJP NA NA +MJ068108 2,3,14,22-Tetrahydroxyergost-7-en-6-one C28H46O5 462.334524 NA MeJP NA NA +MJ068109 2,3,22,23-Tetrahydroxyergost-24(28)-en-6-one C28H46O5 462.334524 NA MeJP NA NA +MJ068110 22,28-Epoxyergost-5-ene-3,25,28-triol, 5?,6?-Epoxide C28H46O5 462.334524 NA MeJP NA NA +MJ068111 3,13,17-Villanovanetriol, 3-O-(3-methylpentanoyl), 17-Ac C28H46O5 462.334524 NA MeJP NA NA +MJ068112 3,5,26-Trihydroxycholestan-6-one, 26-Carboxylic acid, Me ester C28H46O5 462.334524 NA MeJP NA NA +MJ068113 5,7-Dihydroxy-2-nonadecyl-4H-1-benzopyran-4-one; 2,3-Dihydro, 2-hydroxy C28H46O5 462.334524 NA MeJP NA NA +MJ068114 6,13:12,16-Diepoxy-8(19)-eunicellene-3,4-diol, 3-Octanoyl C28H46O5 462.334524 NA MeJP NA NA +MJ068115 Archidorin C28H46O5 462.334524 NA MeJP NA NA +MJ068116 Ergost-5-ene-3,22,25,28-tetrol, 28-Aldehyde, 5?,6?-epoxide C28H46O5 462.334524 NA MeJP NA NA +MJ068117 Ergosta-5,24(28)-diene-1,3,11,18-tetrol, 5?,6-Dihydro, 18-Carboxylic acid C28H46O5 462.334524 NA MeJP NA NA +MJ068118 Hippuristanol C28H46O5 462.334524 NA MeJP NA NA +MJ068119 Ginsenoyne M C32H46O2 462.34978 NA MeJP NA NA +MJ068120 Ginsenoyne N C32H46O2 462.34978 NA MeJP NA NA +MJ068121 Spiropachysine C31H46N2O 462.361014 NA MeJP NA NA +MJ068122 Batzelladine D C25H46N6O2 462.368224 NA MeJP NA NA +MJ068123 2-Docosyl-3,6-dihydroxy-5-methyl-1,4-benzoquinone C29H50O4 462.37091 NA MeJP NA NA +MJ068124 23-Methylergost-16-ene-3,5,6,20-tetrol C29H50O4 462.37091 NA MeJP NA NA +MJ068125 3,22,23-Trihydroxystigmastan-6-one C29H50O4 462.37091 NA MeJP NA NA +MJ068126 3-(3,4-Dihydroxyphenyl)-1-propanol; 1-O-Eicosanoyl C29H50O4 462.37091 NA MeJP NA NA +MJ068127 7a-Acetyl-3a,4,5,6-tetrahydro-3a-hydroxy-1,2,6-trimethyl-6-(4,8,12-trimethyltridecyl)cyclopent[b]pyran-3(1H)-one C29H50O4 462.37091 NA MeJP NA NA +MJ068128 Cholestane-3,5,6-triol, 6-Ac C29H50O4 462.37091 NA MeJP NA NA +MJ068129 Cholestane-3,6,14-triol, 6-Ac C29H50O4 462.37091 NA MeJP NA NA +MJ068130 Stigmast-24(28)-ene-2,3,22,23-tetrol C29H50O4 462.37091 NA MeJP NA NA +MJ068131 Stigmast-7-ene-3,5,6,9-tetrol C29H50O4 462.37091 NA MeJP NA NA +MJ068132 VE-FPL C29H50O4 462.37091 NA MeJP NA NA +MJ068133 ?-Tocopherol; 8',12'-Dihydroxy C29H50O4 462.37091 NA MeJP NA NA +MJ068134 22-Hentriacontene-2,4-dione C31H58O2 462.443681 NA MeJP NA NA +MJ068135 3,5-Diiodo-4-oxo-1(4H)-pyridineacetic acid; 2-Hydroxypropyl ester C10H11I2NO4 462.877744 NA MeJP NA NA +C08422 4-Hydroxyglucobrassicin C16H19N2O10S2 463.0481 NA KEGG NA NA +HMDB00580 Chondroitin sulfate C13H21NO15S 463.0632 http://www.hmdb.ca/metabolites/HMDB00580 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00580 Chondroitin sulfate C13H21NO15S 463.0632 http://www.hmdb.ca/metabolites/HMDB00580 HMDB NA NA +HMDB00580 Chondroitin sulfate C13H21NO15S 463.0632 http://www.hmdb.ca/metabolites/HMDB00580 PFEM_hmdb_metabocards_blood NA blood +HMDB00580 Chondroitin sulfate C13H21NO15S 463.0632 HMDB00580 PFEM_hmdb_metabocards_official NA NA +HMDB00580 Chondroitin sulfate C13H21NO15S 463.063202 NA HMDB2010 NA NA +MJ068136 6-(Methylthio)-3-oxohexyl glucosinolate C14H25NO10S3 463.064058 NA MeJP NA NA +C03794 N6-(1,2-Dicarboxyethyl)-AMP C14H18N5O11P 463.074 NA KEGG NA NA +HMDB00536 Adenylsuccinic acid C14H18N5O11P 463.074036 NA HMDB2010 NA NA +HMDB00536 Adenylsuccinic acid C14H18N5O11P 463.07404 http://www.hmdb.ca/metabolites/HMDB00536 HMDB NA NA +HMDB00536 Adenylsuccinic acid C14H18N5O11P 463.07404 HMDB00536 PFEM_hmdb_metabocards_official NA NA +MJ068137 Adenosylsuccinic acid; 6'-Phosphate C14H18N5O11P 463.074042 NA MeJP NA NA +MJ068138 N6-(1,2-Dicarboxyethyl)-AMP C14H18N5O11P 463.074043 NA MeJP NA NA +MetaCyc03638 adenylo-succinate [N6-(1,2-dicarboxyethyl)-AMP;adenylo-succ;] C14H18N5O11P1 463.074043 19240-42-7 metacyc NA NA +C13853 L 735821 C25H19Cl2N3O2 463.0854 NA KEGG NA NA +C17252 7-Methylthioheptyl glucosinolate C15H29NO9S3 463.1004 NA KEGG NA NA +MJ068139 7-(Methylthio)heptyl glucosinolate C15H29NO9S3 463.100443 NA MeJP NA NA +C12141 Peonidin 3-O-glucoside C22H23O11 463.124 NA KEGG NA NA +FL7AADGA0001 Peonidin 3-galactoside C22H23O11 463.12403 28148-89-2 knapsack NA NA +FL7AADGL0002 Oxycoccicyanin;Peonidin 3-O-beta-D-glucopyranoside C22H23O11 463.12403 6906-39-4 knapsack NA NA +FL7AAHGS0002 Petunidin 3-rhamnoside C22H23O11 463.12403 125107-91-7 knapsack NA NA +FL7AAIGS0002 Malvidin 3-arabinoside C22H23O11 463.12403 28500-04-1 knapsack NA NA +FL7ABCGL0001 5-Methylcyanidin 3-glucoside C22H23O11 463.12403 64164-89-2 knapsack NA NA +FL7ABGGS0001 Pulchellidin 3-rhamnoside C22H23O11 463.12403 - knapsack NA NA +MJ068140 2-O-?-D-Galactopyranosyl-D-mannose; ?-Pyranose-form, p-Nitrophenyl glycoside C18H25NO13 463.132589 NA MeJP NA NA +MJ068141 2-O-?-D-Glucopyranosyl-D-mannose; ?-Pyranose-form, p-Nitrophenyl glycoside C18H25NO13 463.132589 NA MeJP NA NA +PJ001948 CNNN C15H25N7O8S 463.1485 NA PeJP NA NA +PJ001949 GGCNN C15H25N7O8S 463.1486 NA PeJP NA NA +PJ001950 SNDE C16H25N5O11 463.1551 NA PeJP NA NA +PJ001951 PCNM C17H29N5O6S2 463.1559 NA PeJP NA NA +PJ001952 GGPCM C17H29N5O6S2 463.156 NA PeJP NA NA +PJ001953 GSDW C20H25N5O8 463.1703 NA PeJP NA NA +PJ001954 GQEM C17H29N5O8S 463.1737 NA PeJP NA NA +C11750 Pivampicillin C22H29N3O6S 463.1777 NA KEGG NA NA +MJ068142 Pivampicillin C22H29N3O6S 463.177706 NA MeJP NA NA +PJ001955 GCER C16H29N7O7S 463.1849 NA PeJP NA NA +MJ068143 Naamidine A; 10-Hydroxy, O11-Me C24H25N5O5 463.185568 NA MeJP NA NA +MJ068144 Naamidine A; 14-Hydroxy, O11-Me C24H25N5O5 463.185568 NA MeJP NA NA +MJ068145 Naamidine A; 14-Methoxy C24H25N5O5 463.185568 NA MeJP NA NA +PJ001956 QMW C21H29N5O5S 463.189 NA PeJP NA NA +PJ001957 STQE C17H29N5O10 463.1915 NA PeJP NA NA +PJ001958 GNHH C18H25N9O6 463.1928 NA PeJP NA NA +PARAC001 16alpha,17beta-estriol 17-beta-D-glucuronide C24H31O9 463.1958 RT11.4 PFEM_hmdb_metabocards_urine NA urine +PARAC001 16alpha,17beta-estriol 17-beta-D-glucuronide C24H31O9 463.1958 RT11.4 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC001 16alpha,17beta-estriol 17-beta-D-glucuronide C24H31O9 463.1958 RT11.4 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC001 16alpha,17beta-estriol 17-beta-D-glucuronide C24H31O9 463.1958 RT11.4 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC001 16alpha,17beta-estriol 17-beta-D-glucuronide C24H31O9 463.1958 RT11.4 HMDB NA NA +PARAC001 16alpha,17beta-estriol 17-beta-D-glucuronide C24H31O9 463.1958 RT11.4 Inhouse_PFEM NA NA +PARAC001 16alpha,17beta-estriol 17-beta-D-glucuronide C24H31O9 463.1958 RT11.4 PFEM_hmdb_metabocards_blood NA blood +PARAC001 16alpha,17beta-estriol 17-beta-D-glucuronide C24H31O9 463.1958 RT11.4 PFEM_hmdb_metabocards_official NA NA +MJ068146 Speciosine, 10-O-De-Me C27H29NO6 463.199487 NA MeJP NA NA +MJ068147 Speciosine, 2-O-De-Me C27H29NO6 463.199487 NA MeJP NA NA +MJ068148 Speciosine, 3-O-De-Me C27H29NO6 463.199487 NA MeJP NA NA +PJ001959 CRW C20H29N7O4S 463.2002 NA PeJP NA NA +PJ001960 SSDR C16H29N7O9 463.2027 NA PeJP NA NA +PJ001961 GTTW C21H29N5O7 463.2067 NA PeJP NA NA +MJ068149 Tafenoquine C24H28F3N3O3 463.208276 NA MeJP NA NA +PJ001962 GKEM C18H33N5O7S 463.2101 NA PeJP NA NA +MJ068150 Cyclohexyl[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]phosphinic acid C24H34NO6P 463.212374 NA MeJP NA NA +PJ001963 PPNH C20H29N7O6 463.218 NA PeJP NA NA +PJ001964 GTMR C17H33N7O6S 463.2213 NA PeJP NA NA +PJ001965 KMW C22H33N5O4S 463.2253 NA PeJP NA NA +MJ068151 N-[3-[4-[4-(Tetrahydro-1,3-dioxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)butyl]-1-piperazinyl]phenyl]ethanesulfonamide C22H33N5O4S 463.225325 NA MeJP NA NA +PJ001966 STKE C18H33N5O9 463.2278 NA PeJP NA NA +MetaCyc03639 ketoconazol [] C26H31N4O4 463.234531 NA metacyc NA NA +MJ068152 Lythrumine; O3-Ac C28H33NO5 463.235873 NA MeJP NA NA +MJ068153 Mepramidil C28H33NO5 463.235873 NA MeJP NA NA +MJ068154 Rosellichalasin C28H33NO5 463.235873 NA MeJP NA NA +MJ068155 Zygosporin D; 21-Ketone C28H33NO5 463.235873 NA MeJP NA NA +7700 ACE inhibitor from human plasma YLYEIAR 463.237 MH2+ Inhouse_peptide NA peptide +PJ001967 STTR C17H33N7O8 463.2391 NA PeJP NA NA +MJ068156 2-[2-(Dimethylamino)ethyl]-3,4-dihydro-2,5,7,8-tetramethyl-2H-1-benzopyran-6-ol, N-Me, 4-methylbenzenesulfonate C25H37NO5S 463.239243 NA MeJP NA NA +PJ001968 GPKY C22H33N5O6 463.2431 NA PeJP NA NA +PJ001969 SVKM C19H37N5O6S 463.2465 NA PeJP NA NA +MJ068157 Paraherquamide A; 14-Deoxy, N-De-Me C27H33N3O4 463.247106 NA MeJP NA NA +MJ068158 Paraherquamide B C27H33N3O4 463.247106 NA MeJP NA NA +PJ001970 AAFR C21H33N7O5 463.2543 NA PeJP NA NA +MJ068159 Delcorine; 6-Ketone, O1-de-Me C25H37NO7 463.257002 NA MeJP NA NA +MJ068160 Delcorine; 6-Ketone, O14-de-Me C25H37NO7 463.257002 NA MeJP NA NA +MJ068161 Dictyocarpinine; 14-Me ether, 6-ketone C25H37NO7 463.257002 NA MeJP NA NA +MJ068162 Gadesine; O14-Ac C25H37NO7 463.257002 NA MeJP NA NA +MJ068163 Guenerine C25H37NO7 463.257002 NA MeJP NA NA +MJ068164 Antibiotic I-SKB2 C19H37N5O8 463.264213 NA MeJP NA NA +MJ068165 Mutamicin 1 C19H37N5O8 463.264213 NA MeJP NA NA +MJ068166 Mutamicin 4 C19H37N5O8 463.264213 NA MeJP NA NA +EUR846 Lyso PE 18:2 [M-H-CH3]- C23H44NO7P 463.269892 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR846 Lyso PE 18:2 [M-H-CH3]- C23H44NO7P 463.269892 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR846 Lyso PE 18:2 [M-H-CH3]- C23H44NO7P 463.269892 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR846 Lyso PE 18:2 [M-H-CH3]- C23H44NO7P 463.269892 masses lipides attendues Inhousejuil11 NA NA +8098 ADNF-9 SALLRSIPA 463.2715 MH2+ Inhouse_peptide NA peptide +MJ068167 Ascochalasin; 21,22-Didehydro(E-) C29H37NO4 463.272258 NA MeJP NA NA +MJ068168 Bucromarone C29H37NO4 463.272258 NA MeJP NA NA +MJ068169 Cytochalasin B; 7-Deoxy C29H37NO4 463.272258 NA MeJP NA NA +PJ001971 GLKF C23H37N5O5 463.2795 NA PeJP NA NA +MJ068170 Bilastine C28H37N3O3 463.283492 NA MeJP NA NA +MJ068171 Bicolorine; O1,O8-Di-Me, O6-Ac C26H41NO6 463.293388 NA MeJP NA NA +MJ068172 Delpheline; O6-Me C26H41NO6 463.293388 NA MeJP NA NA +MJ068173 Nudicaulamine; 14-Me ether C26H41NO6 463.293388 NA MeJP NA NA +MJ068174 Talatizamine; O14-Ac C26H41NO6 463.293388 NA MeJP NA NA +MJ068175 Antibiotic XK 62-4; 6',6'-Di-N-De-Me C20H41N5O7 463.300598 NA MeJP NA NA +MJ068176 Antibiotic Y 02077H? C20H41N5O7 463.300598 NA MeJP NA NA +MJ068177 Gentamicin C; Gentamicin C1, 4''-Demethyl C20H41N5O7 463.300598 NA MeJP NA NA +MJ068178 Gentamicin C; Gentamicin C2, 6'-Epimer C20H41N5O7 463.300598 NA MeJP NA NA +MJ068179 Gentamicin C; Gentamicin C2b C20H41N5O7 463.300598 NA MeJP NA NA +C02033 Gentamicin C2 C20H41N5O7 463.3006 NA KEGG NA NA +C17706 Gentamicin C2b C20H41N5O7 463.3006 NA KEGG NA NA +MJ068180 Pingpeimine A C27H45NO5 463.329773 NA MeJP NA NA +C03858 D-Glucosyldihydrosphingosine C24H49NO7 463.3509 NA KEGG NA NA +C03859 D-Glucosyllipopolysaccharide C24H49NO7 463.3509 NA KEGG NA NA +MJ068181 Lucidine B; 14,15,16,17-Tetradehydro C30H45N3O 463.356263 NA MeJP NA NA +MJ068182 3,5-Acarnidine; 5,6Z-Didehydro C26H49N5O2 463.388625 NA MeJP NA NA +8233 Antioxidative peptide AGWNIPIGT 463.73395 MH2+ Inhouse_peptide NA peptide +MJ068183 Thelephenol C14H11Br3O3 463.825832 NA MeJP NA NA +MJ068184 Cacoxanthene; 2?,7,13-Tribromo C16H19Br3O 463.898603 NA MeJP NA NA +MJ068185 2-[(3-Bromophenyl)methyl]-6,8-dichloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-3-carboxylic acid 1,1-dioxide C15H11BrCl2N2O4S 463.899995 NA MeJP NA NA +MJ068186 Arboreol; 7-Epimer, 6'-bromo C20H17BrO8 464.01068 NA MeJP NA NA +MJ068187 Falconensin H C22H18Cl2O7 464.042958 NA MeJP NA NA +MJ068188 [Mercaptobutanedioato(1-)]triethylphosphinegold C10H20AuO4PS 464.048542 NA MeJP NA NA +MJ068189 4-Hydroxyindol-3-ylmethyl glucosinolate C16H20N2O10S2 464.055936 NA MeJP NA NA +MetaCyc03640 4-hydroxy-3-indolylmethyl-glucosinolate [4-hydroxyindol-3-ylmethylglucosinolate;4-hydroxyglucobrassicin;] C16H20N2O10S2 464.055936 NA metacyc NA NA +MJ068190 Ellagic acid; 2-O-?-D-Glucopyranoside C20H16O13 464.05909 NA MeJP NA NA +C06775 11-O-Demethylpradinone I C24H16O10 464.0743 NA KEGG NA NA +MJ068191 6-(2,4-Dihydroxy-6-methylbenzoyl)-2,5-dihydroxy-7-[(4-hydroxy-2-oxo-2H-pyran-6-yl)methyl]-1,4-naphthalenedione C24H16O10 464.074346 NA MeJP NA NA +MJ068192 6-[2,4-Dihydroxy-6-[(4-hydroxy-2-oxo-2H-pyran-6-yl)methyl]benzoyl]-2,7-dihydroxy-5-methyl-1,4-naphthalenedione C24H16O10 464.074346 NA MeJP NA NA +MJ068193 Fasciculin A; 3'''-Hydroxy C24H16O10 464.074346 NA MeJP NA NA +MJ068194 Pradimicin M C24H16O10 464.074346 NA MeJP NA NA +MJ068195 Mequitazine, N-Me, iodide C21H25IN2S 464.078312 NA MeJP NA NA +MJ068196 Bromosphaerodiol; 2,3-Dihydro C20H34Br2O2 464.092555 NA MeJP NA NA +MJ068197 Pinnaterpene A; O-De-Ac C20H34Br2O2 464.092555 NA MeJP NA NA +FL1AAGGS0001 Bractein C21H20O12 464.09547 22684-08-8 knapsack NA NA +FL1AAGGS0002 Bracteatin 6-glucoside C21H20O12 464.09547 7056-91-9 knapsack NA NA +FL2FACGS0010 Eriodictyol 7-glucuronide C21H20O12 464.09547 618910-88-6;(125535-06-0) knapsack NA NA +FL2FACGS0014 (2S)-5,7,3',4'-Tetrahydroxyflavanone 7-glucuronide C21H20O12 464.09547 125535-06-0 knapsack NA NA +FL3FAGCS0001 Isoaffinetin;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C21H20O12 464.09547 60476-24-6 knapsack NA NA +FL3FAGCS0002 5,7,3',4',5'-Pentahydroxyflavone 8-C-glucopyranoside C21H20O12 464.09547 - knapsack NA NA +FL3FAGGS0001 Tricetin 7-glucoside C21H20O12 464.09547 77298-67-0 knapsack NA NA +FL3FAGGS0003 Tricetin 3'-glucoside C21H20O12 464.09547 22149-72-0 knapsack NA NA +FL3FALCS0001 6-C-beta-D-Glucopyranosyl-5,7,2',4',5'-pentahydroxyflavone;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(2,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C21H20O12 464.09547 271601-13-9 knapsack NA NA +FL3FALGS0001 Isoetin 7-glucoside C21H20O12 464.09547 67776-47-0 knapsack NA NA +FL3FALGS0003 Isoetin 5'-glucoside C21H20O12 464.09547 118169-24-7 knapsack NA NA +FL3FECGS0002 6-Hydroxyluteolin 5-glucoside C21H20O12 464.09547 80007-06-3 knapsack NA NA +FL3FECGS0005 6-Hydroxyluteolin 6-glucoside C21H20O12 464.09547 72380-28-0 knapsack NA NA +FL3FECGS0011 6-Hydroxyluteolin 7-glucoside C21H20O12 464.09547 54300-65-1 knapsack NA NA +FL3FECGS0012 6-Hydroxyluteolin 7-galactoside C21H20O12 464.09547 37769-54-3 knapsack NA NA +FL3FEGGS0001 6-Hydroxytricetin 5-rhamnoside C21H20O12 464.09547 - knapsack NA NA +FL3FFCGS0002 8-Hydroxyluteolin 7-glucoside C21H20O12 464.09547 32455-43-9 knapsack NA NA +FL3FFCGS0003 8-Hydroxyluteolin 8-glucoside;Hypolaetin 8-O-beta-D-glucoside C21H20O12 464.09547 27686-36-8 knapsack NA NA +FL3FGCGS0001 5,6,7,3',4'-Pentahydroxy-8-methoxyflavone 7-apioside C21H20O12 464.09547 - knapsack NA NA +FL5F1GGS0001 Robinetin 7-glucoside C21H20O12 464.09547 - knapsack NA NA +FL5FA8GS0001 3,5,7,2',6'-Pentahydroxyflavone 2'-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-6-hydroxyphenyl]-3,5,7-trihydroxy-4H-1-benzopyran-4-one C21H20O12 464.09547 172428-47-6 knapsack NA NA +FL5FACCS0001 6-C-Glucosylquercetin;6-beta-D-Glucopyranosyl-3,5,7,3',4'-pentahydroxyflavone;2-(3,4-dihydroxyphenyl)-6-beta-D-Glucopyranosyl-3,5,7-trihydroxy-4H-1-benzopyran-4-one C21H20O12 464.09547 28225-11-8 knapsack NA NA +FL5FACGA0001 Hyperin C21H20O12 464.09547 482-36-0 knapsack NA NA +FL5FACGL0001 Isoquercitrin;Hirsutrin;Quercetin 3-beta-D-glucoside; C21H20O12 464.09547 482-35-9 knapsack NA NA +FL5FACGS0005 Quercetin 3-alloside C21H20O12 464.09547 90327-16-5 knapsack NA NA +FL5FACGS0011 Quercetin 5-glucoside C21H20O12 464.09547 34199-21-8 knapsack NA NA +FL5FACGS0013 Quercetin 7-galactoside C21H20O12 464.09547 59985-52-3 knapsack NA NA +FL5FACGS0014 Quercimeritrin C21H20O12 464.09547 491-50-9 knapsack NA NA +FL5FACGS0018 Quercetin 3'-glucoside;3,5,7,3',4'-Pentahydroxyflavone C21H20O12 464.09547 19254-30-9 knapsack NA NA +FL5FACGS0019 Spiraeoside C21H20O12 464.09547 20229-56-5 knapsack NA NA +FL5FAGGS0004 Myricitrin C21H20O12 464.09547 17912-87-7 knapsack NA NA +FL5FAGGS0020 Myricetin 3'-rhamnoside;2-[3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-4,5-dihydroxyphenyl]-3,5,7-trihydroxy-4H-1-benzopyran-4-one C21H20O12 464.09547 38537-01-8 knapsack NA NA +FL5FAHGS0004 Larycitrin 3-alpha-L-arabinofuranoside;Myricetin 3' methyl ether 3-alpha-L-arabinofuranoside;3-(alpha-L-arabinofuranosyloxy)-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C21H20O12 464.09547 213314-27-3 knapsack NA NA +FL5FDGGS0002 Annulatin 3'-xyloside C21H20O12 464.09547 76010-06-5 knapsack NA NA +FL5FEAGL0001 6-Hydroxykaempferol 3-glucoside C21H20O12 464.09547 145134-61-8 knapsack NA NA +FL5FEAGS0001 6-Hydroxykaempferol 7-glucoside C21H20O12 464.09547 70056-55-2 knapsack NA NA +FL5FEAGS0020 6-Hydroxykaempferol 7-alloside;7-(beta-D-Allopyranosyloxy)-3,5,6-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C21H20O12 464.09547 205496-87-3 knapsack NA NA +FL5FECGS0001 Quercetagetin 3-rhamnoside C21H20O12 464.09547 64543-29-9 knapsack NA NA +FL5FECGS0005 Patuletin 3-xyloside C21H20O12 464.09547 107547-69-3 knapsack NA NA +FL5FFAGL0001 Herbacetin 3-glucoside C21H20O12 464.09547 24543-51-9 knapsack NA NA +FL5FFAGS0002 Herbacetin 7-glucoside C21H20O12 464.09547 35815-07-7 knapsack NA NA +FL5FFAGS0006 Herbacetin 8-glucoside C21H20O12 464.09547 11021-22-0 knapsack NA NA +FL5FFAGS0009 Herbacetin 4'-glucoside C21H20O12 464.09547 74355-98-9 knapsack NA NA +FL5FFAGS0025 Herbacetin 3-beta-D-glucofuranoside;3-(b-D-Glucofuranosyloxy)-5,7,8-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C21H20O12 464.09547 169784-70-7 knapsack NA NA +FL5FFCGS0001 Gossypetin 8-rhamnoside C21H20O12 464.09547 94516-28-6 knapsack NA NA +FL5FFCGS0004 Gossypetin 7-rhamnoside C21H20O12 464.09547 94696-39-6 knapsack NA NA +FL5FFCGS0011 Corniculatusin 3-alpha-L-arabinofuranoside C21H20O12 464.09547 94740-33-7 knapsack NA NA +MJ068198 Quercetin 3-O-glucoside C21H20O12 464.095476 NA MeJP NA NA +MJ068199 2',3,4',5,7-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068200 2',3,5,6',7-Pentahydroxyflavone; 2'-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068201 2',4',5,5',7-Pentahydroxyflavone; 4' or 5'-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068202 2',4',5,5',7-Pentahydroxyflavone; 5'-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068203 2',4',5,5',7-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068204 2-(3,4-Dihydroxyphenyl)-4,6-dihydroxy-3-benzofurancarboxylic acid; ?-D-Glucopyranosyl ester C21H20O12 464.095476 NA MeJP NA NA +MJ068205 3',4',5,5',7,8-Hexahydroxyflavone; 5-O-?-L-Rhamnopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068206 3',4',5,5',7-Pentahydroxy-3-methoxyflavone; 3'-O-?-D-Xylopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068207 3',4',5,5',7-Pentahydroxyflavone; 3'-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068208 3',4',5,5',7-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068209 3',4',5,6,7,8-Hexahydroxyflavone; 8-Me ether, 7-O-apioside C21H20O12 464.095476 NA MeJP NA NA +MJ068210 3',4',5,6,7-Pentahydroxyflavone; 5-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068211 3',4',5,6,7-Pentahydroxyflavone; 6-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068212 3',4',5,6,7-Pentahydroxyflavone; 7-O-?-D-Galactopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068213 3',4',5,6,7-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068214 3',4',5,7,8-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068215 3',4',5,7,8-Pentahydroxyflavone; 8-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068216 3',4',5,7-Tetrahydroxyflavanone, 7-O-?-D-Glucuronopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068217 3',4,4',5',6-Pentahydroxyaurone; 4-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068218 3',4,4',5',6-Pentahydroxyaurone; 6-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068219 3,3',4',5,5',7-Hexahydroxyflavone; 3'-O-?-L-Rhamnopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068220 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-L-Rhamnopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068221 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-L-Rhamnofuranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068222 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-L-Rhamnopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068223 3,3',4',5,5',7-Hexahydroxyflavone; 7-O-?-L-Rhamnopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068224 3,3',4',5,6,7-Hexahydroxyflavone; 3-O-?-L-Rhamnopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068225 3,3',4',5,6,7-Hexahydroxyflavone; 4'-Me ether, 3-O-?-L-arabinopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068226 3,3',4',5,7,8-Hexahydroxyflavone; 7-O-?-L-Rhamnopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068227 3,3',4',5,7,8-Hexahydroxyflavone; 8-O-?-L-Rhamnopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068228 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-Xyloside C21H20O12 464.095476 NA MeJP NA NA +MJ068229 3,3',4',5,7-Pentahydroxy-8-methoxyflavone; 3-O-?-L-Arabinofuranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068230 3,3',4',5,7-Pentahydroxyflavone; 3'-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068231 3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Allopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068232 3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Galactofuranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068233 3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Galactopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068234 3,3',4',5,7-Pentahydroxyflavone; 4'-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068235 3,3',4',5,7-Pentahydroxyflavone; 5-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068236 3,3',4',5,7-Pentahydroxyflavone; 7-O-?-D-Galactopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068237 3,3',4',5,7-Pentahydroxyflavone; 7-O-?-D-Galactopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068238 3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 3-O-D-Arabinoside C21H20O12 464.095476 NA MeJP NA NA +MJ068239 3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-?-L-Arabinofuranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068240 3,4',5,6,7-Pentahydroxyflavone; 3-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068241 3,4',5,6,7-Pentahydroxyflavone; 7-O-?-D-Allopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068242 3,4',5,6,7-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068243 3,4',5,7,8-Pentahydroxyflavone; 3-O-?-D-Glucofuranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068244 3,4',5,7,8-Pentahydroxyflavone; 3-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068245 3,4',5,7,8-Pentahydroxyflavone; 4'-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068246 3,4',5,7,8-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068247 3,4',5,7,8-Pentahydroxyflavone; 8-O-?-D-Glucopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068248 4',5,6,7-Tetrahydroxyflavanone, 7-O-?-D-Glucuronopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068249 4',5,7,8-Tetrahydroxyflavanone, 7-O-?-D-Glucuronopyranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068250 6-Glucopyranosyl-3,3',4',5,7-pentahydroxyflavone C21H20O12 464.095476 NA MeJP NA NA +MJ068251 6-Glucosyl-2',4',5,5',7-pentahydroxyflavone C21H20O12 464.095476 NA MeJP NA NA +MJ068252 Affinetin C21H20O12 464.095476 NA MeJP NA NA +MJ068253 Bergenin; 11-O-(3,4-Dihydroxybenzoyl) C21H20O12 464.095476 NA MeJP NA NA +MJ068254 Hyperin C21H20O12 464.095476 NA MeJP NA NA +MJ068255 Incarnatrin C21H20O12 464.095476 NA MeJP NA NA +MJ068256 Isoaffinetin C21H20O12 464.095476 NA MeJP NA NA +MJ068257 Isoquercitrin C21H20O12 464.095476 NA MeJP NA NA +MJ068258 Mangiferin; 6'-Ac C21H20O12 464.095476 NA MeJP NA NA +MJ068259 Quercetin 3-glucofuranoside C21H20O12 464.095476 NA MeJP NA NA +MJ068260 Quercimeritrin C21H20O12 464.095476 NA MeJP NA NA +MJ068261 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-?-D-Galactopyranoside C21H21O12(+) 464.095476 NA MeJP NA NA +MJ068262 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside C21H21O12(+) 464.095476 NA MeJP NA NA +MJ068263 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 7-O-?-D-Glucopyranoside C21H21O12(+) 464.095476 NA MeJP NA NA +MJ068264 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 7-O-Galactoside C21H21O12(+) 464.095476 NA MeJP NA NA +MJ068265 3,3',4',5,6,7-Hexahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside C21H21O12(+) 464.095476 NA MeJP NA NA +MetaCyc03641 quercetin-3-glucoside [quercetin-3-O-β-D-glucoside;] C21H20O12 464.095476 NA metacyc NA NA +C05623 Quercetin 3-O-glucoside C21H20O12 464.0955 NA KEGG NA NA +C10050 Gossypetin 8-rhamnoside C21H20O12 464.0955 NA KEGG NA NA +C10073 Hyperin C21H20O12 464.0955 NA KEGG NA NA +C10108 Myricitrin C21H20O12 464.0955 NA KEGG NA NA +C12639 Quercimeritrin C21H20O12 464.0955 NA KEGG NA NA +C16410 Bracteatin 6-O-glucoside C21H20O12 464.0955 NA KEGG NA NA +MJ068266 Pimetacin C25H21ClN2O3S 464.09614 NA MeJP NA NA +PJ001972 CCCH C15H24N6O5S3 464.0971 NA PeJP NA NA +MJ068267 Demeclocycline C21H21ClN2O8 464.098643 NA MeJP NA NA +MJ068268 Paederosidic acid C18H24O12S 464.098846 NA MeJP NA NA +MJ068269 Hydnocarpin C25H20O9 464.110732 NA MeJP NA NA +MJ068270 Isohydnocarpin C25H20O9 464.110732 NA MeJP NA NA +MJ068271 Neohydnocarpin C25H20O9 464.110732 NA MeJP NA NA +MJ068272 Scutellaprostin A; 4'-Hydroxy C25H20O9 464.110732 NA MeJP NA NA +MJ068273 Scutellaprostin D; 4'-Hydroxy C25H20O9 464.110732 NA MeJP NA NA +MJ068274 Pharbitic acid C22H24O9S 464.114103 NA MeJP NA NA +MJ068275 3,4,5-Trihydroxybenzoic acid; 3-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C18H24O14 464.116605 NA MeJP NA NA +MJ068276 2,2',3,3',7,7'-Hexahydroxy-1,1'-biphenanthrene; 3'-Me ether C29H20O6 464.125988 NA MeJP NA NA +7952 synthetic peptide YYC 464.126 antioxidative Inhouse_peptide NA peptide +7976 synthetic peptide YCY 464.126 antioxidative Inhouse_peptide NA peptide +7977 synthetic peptide CYY 464.126 antioxidative Inhouse_peptide NA peptide +MJ068277 [3-[1-[[(3,4-Dichlorophenyl)acetyl]methylamino]-2-(1-pyrrolidinyl)ethyl]phenoxy]acetic acid C23H26Cl2N2O4 464.126962 NA MeJP NA NA +FL1C3CGS0013 Okanin 4-methyl ether 3'-glucoside C22H24O11 464.13186 119227-96-2 knapsack NA NA +FL1C3CGS0015 Okanin 4-methyl ether 4'-glucoside C22H24O11 464.13186 94285-20-8 knapsack NA NA +FL1C3CGS0018 Lanceolin C22H24O11 464.13186 64181-95-9 knapsack NA NA +FL1CADGS0001 Homoeriodictyolchalcone 2'-glucoside C22H24O11 464.13186 80830-19-9 knapsack NA NA +FL2FACGM0001 5,7,3',4'-Tetrahydroxy-6-C-methylflavanone 7-O-glucosdie C22H24O11 464.13186 35924-32-4 knapsack NA NA +FL2FADCS0001 Dihydroscoparin C22H24O11 464.13186 - knapsack NA NA +FL2FADGS0002 Viscumiside A C22H24O11 464.13186 14982-11-7 knapsack NA NA +FL2FAEGS0003 Hesperetin 5-O-glucoside C22H24O11 464.13186 69651-80-5 knapsack NA NA +FL2FAEGS0004 Hesperetin 7-O-glucoside C22H24O11 464.13186 2500-68-7 knapsack NA NA +FL2FCCGS0001 7-O-Methyleriodictyol 3'-O-glucoside C22H24O11 464.13186 107140-38-5 knapsack NA NA +FL4DAAGM0001 3,5,7,4'-Tetrahydroxy-6-methylflavanone 7-glucoside C22H24O11 464.13186 95519-26-9 knapsack NA NA +FL4DCACS0001 Keyakinol;(2R,3R)-6-beta-D-Glucopyranosyl-2,3-dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C22H24O11 464.13186 62003-55-8 knapsack NA NA +FL4DCAGS0002 Aromadendrin 7-methyl ether 5-glucoside C22H24O11 464.13186 93078-93-4 knapsack NA NA +MJ068278 1,2,3,5-Tetrahydroxyxanthone; 2,3,5-Tri-Me ether, 1-O-?-D-glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068279 1,2,3,7-Tetrahydroxyxanthone; 2,3,7-Tri-Me ether, 1-O-?-D-glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068280 1,2,6,8-Tetrahydroxyxanthone; 1,2,6-Tri-Me ether, 8-O-?-D-glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068281 1,3,5,8-Tetrahydroxyxanthone; 3,5,8-Tri-Me ether, 1-O-?-D-glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068282 2',3,3',4,4'-Pentahydroxychalcone, 3'-Me ether, 4'-O-?-D-glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068283 2',3,3',4,4'-Pentahydroxychalcone, 4-Me ether, 3'-O-?-D-glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068284 2',3,3',4,4'-Pentahydroxychalcone, 4-Me ether, 4'-O-?-D-glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068285 2',3,4,4',6'-Pentahydroxychalcone; 3-Me ether, 2'-O-?-D-glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068286 2',4',5,7-Tetrahydroxyflavanone, 4'-Me ether, 7-O-?-D-glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068287 2',5,6',7-Tetrahydroxyflavanone, 7-Me ether, 2'-O-?-D-glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068288 2-Glucosyl-1,3,5,6-tetrahydroxyxanthone; 3,5,6-Tri-Me ether C22H24O11 464.131861 NA MeJP NA NA +MJ068289 3',4',5,7-Tetrahydroxy-6-methylflavanone, 7-O-?-D-Glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068290 3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether, 7-O-?-D-glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068291 3',5,7-Trihydroxy-4'-methoxyflavanone, 5-O-?-D-Glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068292 3',5,7-Trihydroxy-4'-methoxyflavanone, 7-O-?-D-Glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068293 3,4',5,7-Tetrahydroxy-6-methylflavanone, 7-O-?-D-Glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068294 3,4',5,7-Tetrahydroxyflavanone, 7-Me ether, 5-O-?-D-glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068295 3,4-Dihydroxybenzyl alcohol; 1'-O-(3,4-Dihydroxy-E-cinnamoyl), 4-O-?-D-glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068296 3,4-Dihydroxybenzyl alcohol; 4-O-[3,4-Dihydroxycinnamoyl-(?3)-?-D-glucopyranoside] C22H24O11 464.131861 NA MeJP NA NA +MJ068297 3-Hydroxy-2-methyl-4H-pyran-4-one; O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C22H24O11 464.131861 NA MeJP NA NA +MJ068298 3-Hydroxy-2-methyl-4H-pyran-4-one; O-[4-Hydroxy-3-methoxy-Z-cinnamoyl-(?6)-?-D-glucopyranoside] C22H24O11 464.131861 NA MeJP NA NA +MJ068299 5,7,9,10-Tetrahydroxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one; 5,7-Di-Me ether, 9-O-?-D-glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MJ068300 6-Glucopyranosyl-3,4',5,7-tetrahydroxyflavanone, 7-Me ether C22H24O11 464.131861 NA MeJP NA NA +MJ068301 Protogenkwanin; 4'-O-?-D-Glucopyranoside C22H24O11 464.131861 NA MeJP NA NA +MetaCyc03642 hesperitin-7-O-β-D-glucoside [] C22H24O11 464.131862 NA metacyc NA NA +C16422 Hesperetin 7-O-glucoside C22H24O11 464.1319 NA KEGG NA NA +PJ001973 CNND C15H24N6O9S 464.1326 NA PeJP NA NA +MJ068302 Loprazolam C23H21ClN6O3 464.136366 NA MeJP NA NA +PJ001974 SDDE C16H24N4O12 464.1391 NA PeJP NA NA +PJ001975 PCDM C17H28N4O7S2 464.14 NA PeJP NA NA +MJ068303 Sibenadet C22H28N2O5S2 464.143963 NA MeJP NA NA +MJ068304 Diniprofylline C22H20N6O6 464.144432 NA MeJP NA NA +MJ068305 Asulacrine C24H24N4O4S 464.151825 NA MeJP NA NA +MJ068306 4-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside, tetra-Ac C19H28O13 464.15299 NA MeJP NA NA +MJ068307 Diderroside C19H28O13 464.15299 NA MeJP NA NA +MJ068308 Ipolamiide; 6?-Hydroxy, 8-Ac C19H28O13 464.15299 NA MeJP NA NA +MJ068309 Lamalbide; 2'-Ac C19H28O13 464.15299 NA MeJP NA NA +PJ001976 GEEM C17H28N4O9S 464.1577 NA PeJP NA NA +MJ068310 7-Protoilludene-1,5,6,14-tetrol, 14-Aldehyde, 5-(3-chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) C24H29ClO7 464.16018 NA MeJP NA NA +MJ068311 7-Protoilludene-5,6,9,14-tetrol, 14-Aldehyde, 5-(3-chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) C24H29ClO7 464.16018 NA MeJP NA NA +MJ068312 3,4-Dihydro-4-oxodehydrotectol C30H24O5 464.162373 NA MeJP NA NA +C09405 Enhydrin C23H28O10 464.1682 NA KEGG NA NA +C09463 Glaucolide A C23H28O10 464.1682 NA KEGG NA NA +C09636 Diffutin C23H28O10 464.1682 NA KEGG NA NA +C14895 1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6- C23H28O10 464.1682 NA KEGG NA NA +FL6FAFGS0001 Diffutin C23H28O10 464.16824 89289-91-8 knapsack NA NA +FLIC1LGS0001 Isomucronulator 7-O-glucoside C23H28O10 464.16824 136087-29-1 knapsack NA NA +MJ068313 1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 13,14-di-Ac C23H28O10 464.168247 NA MeJP NA NA +MJ068314 2',3',4',7-Tetrahydroxyisoflavan, 3',4'-Di-Me ether, 7-O-?-D-glucopyranoside C23H28O10 464.168247 NA MeJP NA NA +MJ068315 2,3,4,5,6-Phenanthrenepentol; 9,10-Dihydro, 3,4,6-tri-Me ether, 2-O-?-D-glucopyranoside C23H28O10 464.168247 NA MeJP NA NA +MJ068316 2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 2,3,6-tri-Me ether, 4-O-?-D-glucopyranoside C23H28O10 464.168247 NA MeJP NA NA +MJ068317 2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 3,4,6-tri-Me ether, 2-O-?-D-glucopyranoside C23H28O10 464.168247 NA MeJP NA NA +MJ068318 2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 4,6,7-tri-Me ether, 2-O-?-D-glucopyranoside C23H28O10 464.168247 NA MeJP NA NA +MJ068319 2,8,9,15-Tetrahydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-Angeloyl, 9-Ac, Me ester C23H28O10 464.168247 NA MeJP NA NA +MJ068320 3',4',5,7-Tetrahydroxyflavan, 3',4'-Di-Me ether, 5-O-?-D-glucopyranoside C23H28O10 464.168247 NA MeJP NA NA +MJ068321 3',7-Dihydroxy-2',4'-dimethoxyisoflavan, 7-O-?-D-Glucopyranoside C23H28O10 464.168247 NA MeJP NA NA +MJ068322 3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2R,3R-epoxy-2-methylbutanoyl), 9-Ac, Me ester C23H28O10 464.168247 NA MeJP NA NA +MJ068323 4,5-Epoxy-2,8,13-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl), 2,13-di-Ac C23H28O10 464.168247 NA MeJP NA NA +MJ068324 4,5-Epoxy-2,8,13-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2-Hydroxypropenoyl), 2,13-di-Ac C23H28O10 464.168247 NA MeJP NA NA +MJ068325 4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(2-Methylpropenoyl), 10,13-di-Ac C23H28O10 464.168247 NA MeJP NA NA +MJ068326 4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 9-(2S,3R-Epoxy-2-methylbutanoyl), 8-Ac, Me ester C23H28O10 464.168247 NA MeJP NA NA +MJ068327 4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-O-(2,3-Epoxy-2-methylbutanoyl), 9-Ac, Me ester C23H28O10 464.168247 NA MeJP NA NA +MJ068328 5,6,8,9-Tetrahydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, 9-(2,3-Epoxy-2-methylbutanoyl), 6-Ac, Me ester C23H28O10 464.168247 NA MeJP NA NA +MJ068329 8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2R,3R-Epoxy-2-methylbutanoyl), 15-Ac, Me ester C23H28O10 464.168247 NA MeJP NA NA +MJ068330 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-O-(2-Hydroxy-2-methyl-3-oxobutanoyl), 9-Ac, Me ester (1) C23H28O10 464.168247 NA MeJP NA NA +MJ068331 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-O-(2-Hydroxy-2-methyl-3-oxobutanoyl), 9-Ac, Me ester (2) C23H28O10 464.168247 NA MeJP NA NA +PJ001977 SNNM C16H28N6O8S 464.1689 NA PeJP NA NA +PJ001978 GGSNM C16H28N6O8S 464.169 NA PeJP NA NA +PJ001979 EMW C21H28N4O6S 464.173 NA PeJP NA NA +MJ068332 Asterriquinone D; 5'-(3-Methyl-1,3-butadienyl) C29H24N2O4 464.173607 NA MeJP NA NA +PJ001980 STEE C17H28N4O11 464.1755 NA PeJP NA NA +PJ001981 SPMM C18H32N4O6S2 464.1763 NA PeJP NA NA +PJ001982 GDHH C18H24N8O7 464.1768 NA PeJP NA NA +MJ068333 Antibiotic USF 19A C22H28N2O9 464.17948 NA MeJP NA NA +MJ068334 Dehexylantimycin; Dehexylantimycin A1 C22H28N2O9 464.17948 NA MeJP NA NA +FLIAAINF0001 Pumilaisoflavone B C27H28O7 464.1835 115712-90-8 knapsack NA NA +FLIAAINP0002 Pumilaisoflavone A C27H28O7 464.1835 115712-89-5 knapsack NA NA +FLIAALNI0021 Euchrenone b4;5,7-Dihydroxy-2'-methoxy-4',5'-methylenedioxy-6,8-diprenylisoflavone C27H28O7 464.1835 121795-46-8 knapsack NA NA +MJ068335 2',4',5,5',7-Pentahydroxy-6,8-diprenylisoflavone; 2'-Me, 4',5'-methylene ether C27H28O7 464.183503 NA MeJP NA NA +MJ068336 3',4',6,7-Tetrahydroxyisoflavone; 3',4'-Methylene, 7-O-(7-hydroxy-3,7-dimethyl-2,5-octadienyl)(E,E-), 6-Me ether C27H28O7 464.183503 NA MeJP NA NA +MJ068337 8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8-Benzoyl, 11-(3-methyl-2-butenoyl) C27H28O7 464.183503 NA MeJP NA NA +MJ068338 Aspulvinone F C27H28O7 464.183503 NA MeJP NA NA +MJ068339 Lespedezol A5 C27H28O7 464.183503 NA MeJP NA NA +MJ068340 Pumilaisoflavone B C27H28O7 464.183503 NA MeJP NA NA +MJ068341 Pumilaisoflavone D; 4-(1,1-Dimethyl-2-propenyl)ether C27H28O7 464.183503 NA MeJP NA NA +MJ068342 Rocaglatic acid; Decarboxy, 3'-methoxy C27H28O7 464.183503 NA MeJP NA NA +PJ001983 GSSSQ C16H28N6O10 464.1867 NA PeJP NA NA +MJ068343 3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl, 3-(3-methylsulfinyl-2-propenoyl)(R,E-) C24H32O7S 464.186874 NA MeJP NA NA +MJ068344 3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl, 3-(3-methylsulfinyl-2-propenoyl)(S,E-) C24H32O7S 464.186874 NA MeJP NA NA +MJ068345 7,8-Epoxy-3,6-dihydroxy-12,8-eremophilanolide, 3-(3-Methylthiopropenoyl)(Z-), 6-angeloyl C24H32O7S 464.186874 NA MeJP NA NA +PJ001984 GPEY C21H28N4O8 464.1907 NA PeJP NA NA +MJ068346 1-[2-(Dimethylamino)ethyl]-1,3,4,5-tetrahydro-3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2H-1-benzazepin-2-one, 3-Ac C24H27F3N2O4 464.192291 NA MeJP NA NA +8053 synthetic peptide PWY 464.194 antioxidative Inhouse_peptide NA peptide +PJ001985 SVEM C18H32N4O8S 464.1941 NA PeJP NA NA +MJ068347 Secoplicamine C26H28N2O6 464.194736 NA MeJP NA NA +MJ068348 Chloronectrin C25H33ClO6 464.196566 NA MeJP NA NA +MJ068349 Mycosporin glutamicol; 1'-Amide, 5'-O-?-D-glucopyranoside C19H32N2O11 464.200609 NA MeJP NA NA +PJ001986 GNQF C20H28N6O7 464.202 NA PeJP NA NA +C05504 16-Glucuronide-estriol C24H32O9 464.2046 NA KEGG NA NA +C05511 alpha-D-Ribose 1-diphosphate C24H32O9 464.2046 NA KEGG NA NA +C11288 16alpha,17beta-Estriol 3-(beta-D-glucuronide) C24H32O9 464.2046 NA KEGG NA NA +C11346 16alpha,17beta-Estriol 17-(beta-D-glucuronide) C24H32O9 464.2046 NA KEGG NA NA +C16859 Renillafoulin A C24H32O9 464.2046 NA KEGG NA NA +HMDB06766 Estriol-16-Glucuronide C24H32O9 464.20462 http://www.hmdb.ca/metabolites/HMDB06766 HMDB NA NA +HMDB06766 Estriol-16-Glucuronide C24H32O9 464.20462 HMDB06766 PFEM_hmdb_metabocards_official NA NA +HMDB06766 Estriol-16-Glucuronide C24H32O9 464.20462 NA HMDB2010 NA NA +HMDB10333 Estriol-17-glucuronide C24H32O9 464.20462 NA HMDB2010 NA NA +HMDB10335 Estriol-3-glucuronide C24H32O9 464.20462 NA HMDB2010 NA NA +HMDB10353 15-hydroxynorandrostene-3,17-dione glucuronide C24H32O9 464.20462 NA HMDB2010 NA NA +HMDB10354 16-alpha,17-beta-estriol 17-beta-D-glucuronide C24H32O9 464.20462 NA HMDB2010 NA NA +MJ068350 1,4,6,9-Tetrahydroxy-11(13)-eudesmen-12,8-olide, 6-Angeloyl, 1,9-di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068351 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 1,6-di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068352 1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl), 1-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068353 14,15-Epoxy-4-isocedrene-1,3,14,15-tetrol, 3-(2,3-Epoxy-2-methylbutanoyl), 14,15-di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068354 2,8,10,11-Tetrahydroxy-3-guaien-12,6-olide, 8-(3-Methyl-2-butenoyl), 10,11-di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068355 2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Methylbutanoyl), 2,9-di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068356 2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 8-(3-Methylbutanoyl), 2,9-di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068357 2,8,9,11,12-Pentahydroxy-5,13-briaradien-18,7-olide; 12-Ketone, 2,9-di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068358 3,10-Epoxy-2,8,9-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl), 2,9-di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068359 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl), 3-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068360 4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-3,6,19,20-tetrol, 19,20-Di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068361 4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-3,6,19,20-tetrol, 3,19-Di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068362 4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-3,6,19,20-tetrol, 6,19-Di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068363 4,18:15,16-Diepoxy-3,6,10,19-tetrahydroxy-13(16),14-clerodadien-7-one, 3,19-Di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068364 4,5-Epoxy-1,8,13-trihydroxy-7(11)-germacren-12,6-olide, 8-Tigloyl, di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068365 7,20-Epoxy-1,6,7,11,19-pentahydroxy-16-kauren-15-one, 11,19-Di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068366 8,17-Epoxy-2,3,9,12-tetrahydroxy-5,13-briaradien-18,7-olide; 2,3-Di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068367 8,17-Epoxy-2,9,12,14-tetrahydroxy-5,11(20)-briaradien-18,7-olide; 2,14-Di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068368 8,17-Epoxy-2,9,14-trihydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2,14-di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068369 8,17:11,20-Diepoxy-2,9,14-trihydroxy-5-briaren-18,7-olide; 2,14-Di-Ac C24H32O9 464.204632 NA MeJP NA NA +MJ068370 8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8,9-Bis(2-methylpropanoyl), Me ester C24H32O9 464.204632 NA MeJP NA NA +MJ068371 Alysine E C24H32O9 464.204632 NA MeJP NA NA +MJ068372 Coleon Y C24H32O9 464.204632 NA MeJP NA NA +MJ068373 Cyclobutatusin C24H32O9 464.204632 NA MeJP NA NA +MJ068374 Estra-1,3,5(10)-triene-3,16,17-triol, 16-O-?-D-Glucuronopyranoside C24H32O9 464.204632 NA MeJP NA NA +MJ068375 Isoasatone A; 3'-Hydroxy C24H32O9 464.204632 NA MeJP NA NA +MJ068376 Sakuraresinol C24H32O9 464.204632 NA MeJP NA NA +MJ068377 Shikokianoic acid C24H32O9 464.204632 NA MeJP NA NA +7686 ACE inhibitor from ovalbumin FFGRCVSP 464.205 MH2+ Inhouse_peptide NA peptide +PJ001987 SCQK C17H32N6O7S 464.2053 NA PeJP NA NA +MJ068378 Aspercolorin C25H28N4O5 464.20597 NA MeJP NA NA +PJ001988 PYW C25H28N4O5 464.206 NA PeJP NA NA +MetaCyc03643 copalyl diphosphate [copalyl-PP;] C21H38O7P2 464.209277 NA metacyc NA NA +PJ001989 APMF C22H32N4O5S 464.2094 NA PeJP NA NA +PJ001990 ALMM C19H36N4O5S2 464.2127 NA PeJP NA NA +C02808 Acetylblasticidin S C19H28N8O6 464.2132 NA KEGG NA NA +PJ001991 ATHH C19H28N8O6 464.2132 NA PeJP NA NA +C17960 Rhizocticin C C17H33N6O7P 464.2148 NA KEGG NA NA +C17961 Rhizocticin D C17H33N6O7P 464.2148 NA KEGG NA NA +MJ068379 Rhizocticin; Rhizocticin C C17H33N6O7P 464.214833 NA MeJP NA NA +MJ068380 Rhizocticin; Rhizocticin D C17H33N6O7P 464.214833 NA MeJP NA NA +MJ068381 Kitamycin A C23H32N2O8 464.215866 NA MeJP NA NA +MJ068382 Kitamycin B C23H32N2O8 464.215866 NA MeJP NA NA +MJ068383 Trichostatin A; O-?-D-Glucopyranoside C23H32N2O8 464.215866 NA MeJP NA NA +MJ068384 Trichostatin A; O-?-D-Glucopyranoside C23H32N2O8 464.215866 NA MeJP NA NA +MJ068385 Tryptophan, Na-?-D-Glucopyranosyl, Nb-hexanoyl C23H32N2O8 464.215866 NA MeJP NA NA +MJ068386 Tryptophan, Na-Hexanoyl, Nb-inosityl C23H32N2O8 464.215866 NA MeJP NA NA +MJ068387 Asparaginyl-D-tryptophylphenylalaninamide C24H28N6O4 464.217203 NA MeJP NA NA +MJ068388 1,3,6,7-Tetrahydroxy-2,5,8-triprenylxanthone C28H32O6 464.219888 NA MeJP NA NA +MJ068389 1-[5-Hydroxy-7-methoxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-2-(4-hydroxyphenyl)-1,4-pentanedione C28H32O6 464.219888 NA MeJP NA NA +MJ068390 11,19-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 19-(4-Hydroxy-3-methoxybenzoyl) C28H32O6 464.219888 NA MeJP NA NA +MJ068391 2,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 2?-form, 2-(4-Hydroxy-3-methoxybenzoyl) C28H32O6 464.219888 NA MeJP NA NA +MJ068392 2-(2,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7,7-dimethyl-10-(3-methyl-2-butenyl)benzo[1,2-b:4,5-b']dipyran-4(7H)-one, Tri-Me ether C28H32O6 464.219888 NA MeJP NA NA +MJ068393 2-(3,5-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7,7-dimethyl-10-(3-methyl-2-butenyl)benzo[1,2-b:4,5-b']dipyran-4(7H)-one, Tri-Me ether C28H32O6 464.219888 NA MeJP NA NA +MJ068394 4-(3,7-Dimethyl-2,6-octadienyl)-2,3,6,8-tetrahydroxy-1-prenylxanthone C28H32O6 464.219888 NA MeJP NA NA +MJ068395 Bractatin C28H32O6 464.219888 NA MeJP NA NA +MJ068396 Dulciol B C28H32O6 464.219888 NA MeJP NA NA +MJ068397 Forbesione C28H32O6 464.219888 NA MeJP NA NA +MJ068398 Garciniaxanthone E C28H32O6 464.219888 NA MeJP NA NA +MJ068399 Isobractatin C28H32O6 464.219888 NA MeJP NA NA +MJ068400 Methyl 3,5,6-tri-O-benzylglucofuranoside C28H32O6 464.219888 NA MeJP NA NA +MJ068401 Mexicanin F C28H32O6 464.219888 NA MeJP NA NA +MJ068402 Nervosaxanthone C28H32O6 464.219888 NA MeJP NA NA +MJ068403 Nicandrenone; 26-Ketone C28H32O6 464.219888 NA MeJP NA NA +MJ068404 Roeperanone C28H32O6 464.219888 NA MeJP NA NA +MJ068405 Subelliptenone A C28H32O6 464.219888 NA MeJP NA NA +PJ001992 GSSSK C17H32N6O9 464.2231 NA PeJP NA NA +MJ068406 1,8-Epoxy-p-menthan-2-ol, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H36O11 464.225761 NA MeJP NA NA +MJ068407 2,5-Bornanediol, 2-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H36O11 464.225761 NA MeJP NA NA +MJ068408 2,6-Bornanediol, 2-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H36O11 464.225761 NA MeJP NA NA +MJ068409 2,6-Dimethyl-2,7-octadiene-1,6-diol, 6-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C21H36O11 464.225761 NA MeJP NA NA +MJ068410 2,9-Bornanediol; 2-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H36O11 464.225761 NA MeJP NA NA +MJ068411 Linalyl oxide; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C21H36O11 464.225761 NA MeJP NA NA +MJ068412 Tetrahydro-3-hydroxy-2,2,6-trimethyl-6-vinylpyran; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H36O11 464.225761 NA MeJP NA NA +MJ068413 Tetrahydro-3-hydroxy-2,2,6-trimethyl-6-vinylpyran; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C21H36O11 464.225761 NA MeJP NA NA +MJ068414 p-Menth-1-ene-7,8-diol, 8-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H36O11 464.225761 NA MeJP NA NA +PJ001993 SPVY C22H32N4O7 464.2271 NA PeJP NA NA +PJ001994 TTLM C19H36N4O7S 464.2305 NA PeJP NA NA +8008 synthetic peptide LWF 464.231 antibacterial Inhouse_peptide NA peptide +MJ068415 Naflocort C29H33FO4 464.236287 NA MeJP NA NA +34 Myosin VFPMNPPK 464.2365 MH2+ Inhouse_peptide NA peptide +PJ001995 GNKF C21H32N6O6 464.2384 NA PeJP NA NA +CJpos0799 Testosterone glucuronide isomer [(M+H)]+ C25H37O8 464.240475 C18rt(min)=7.5 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0800 Testosterone glucuronide [(M+H)]+ C25H37O8 464.240475 C18rt(min)=7.9 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0799 Testosterone glucuronide isomer [(M+H)]+ C25H37O8 464.240475 C18rt(min)=7.5 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0800 Testosterone glucuronide [(M+H)]+ C25H37O8 464.240475 C18rt(min)=7.9 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +EUR091 Testosterone glucuronide C25H36O8 464.241 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR091 Testosterone glucuronide C25H36O8 464.241 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR091 Testosterone glucuronide C25H36O8 464.241 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR091 Testosterone glucuronide C25H36O8 464.241 Wishlist Inhousejuil11 NA NA +C11134 Testosterone glucuronide C25H36O8 464.241 NA KEGG NA NA +MJ068416 2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 2-Angeloyl, 4-(3-methylbutanoyl) C25H36O8 464.241018 NA MeJP NA NA +MJ068417 3,13-Clerodadien-15,16-olid-18-oic acid; 5?-form, ?-L-Arabinopyranosyl ester C25H36O8 464.241018 NA MeJP NA NA +MJ068418 3,13-Clerodadien-15,16-olid-19-oic acid, 19-O-?-L-Arabinopyranosyl ester C25H36O8 464.241018 NA MeJP NA NA +MJ068419 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 11,12-Di-Ac C25H36O8 464.241018 NA MeJP NA NA +MJ068420 4,18-Epoxy-6,8,19-trihydroxy-11,13-clerodadien-15,16-olide, 11,12-Dihydro, 19-carboxylic acid, 6-(2-methylbutanoyl) C25H36O8 464.241018 NA MeJP NA NA +MJ068421 Acarbathogenin C25H36O8 464.241018 NA MeJP NA NA +MJ068422 Anodendrosin F C25H36O8 464.241018 NA MeJP NA NA +MJ068423 Antibiotic L 731128; 1-Hydroxy C25H36O8 464.241018 NA MeJP NA NA +MJ068424 Erinacine G C25H36O8 464.241018 NA MeJP NA NA +MJ068425 Luminacin; Luminacin E1, Demethoxy C25H36O8 464.241018 NA MeJP NA NA +MJ068426 Luminacin; Luminacin E3, Demethoxy C25H36O8 464.241018 NA MeJP NA NA +MJ068427 Luminacin; Luminacin F C25H36O8 464.241018 NA MeJP NA NA +MJ068428 Luminacin; Luminacin H C25H36O8 464.241018 NA MeJP NA NA +MJ068429 Nodusmicin; 18-Ac C25H36O8 464.241018 NA MeJP NA NA +MJ068430 p-Mentha-1,3,5-triene-3,7,8,9,10-pentol; 7,10-Bis(2-methylbutanoyl), 9-angeloyl C25H36O8 464.241018 NA MeJP NA NA +HMDB03193 Testosterone glucuronide C25H36O8 464.241028 NA HMDB2010 NA NA +HMDB10327 Dehydroisoandrosterone 3-glucuronide C25H36O8 464.241028 NA HMDB2010 NA NA +HMDB10348 Dehydroepiandrosterone 3-glucuronide C25H36O8 464.241028 NA HMDB2010 NA NA +HMDB03193 Testosterone glucuronide C25H36O8 464.24103 http://www.hmdb.ca/metabolites/HMDB03193 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03193 Testosterone glucuronide C25H36O8 464.24103 http://www.hmdb.ca/metabolites/HMDB03193 HMDB NA NA +HMDB03193 Testosterone glucuronide C25H36O8 464.24103 http://www.hmdb.ca/metabolites/HMDB03193 PFEM_hmdb_metabocards_blood NA blood +HMDB03193 Testosterone glucuronide C25H36O8 464.24103 HMDB03193 PFEM_hmdb_metabocards_official NA NA +EUR465 Testosterone glucuronide F1 F1 464.241375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR465 Testosterone glucuronide F1 NA 464.241375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR465 Testosterone glucuronide F1 F1 464.241375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR465 Testosterone glucuronide F1 NA 464.241375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR465 Testosterone glucuronide F1 F1 464.241375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR465 Testosterone glucuronide F1 NA 464.241375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR465 Testosterone glucuronide F1 F1 464.241375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR465 Testostérone glucuronide F1 F1 464.241375 standards wishlist analysés sur QTOF HMDB NA NA +EUR465 Testosterone glucuronide F1 F1 464.241375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR465 Testosterone glucuronide F1 NA 464.241375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR465 Testosterone glucuronide F1 F1 464.241375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR465 Testosterone glucuronide F1 F1 464.241375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJneg0611 Dehydroepiandrosterone glucuronide [(M-H)]- C25H35O8 464.241525 C18rt(min)=8.2 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0612 Testosterone glucuronide [(M-H)]- C25H35O8 464.241525 C18rt(min)=7.9 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0611 Dehydroepiandrosterone glucuronide [(M-H)]- C25H35O8 464.241525 C18rt(min)=8.2 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0612 Testosterone glucuronide [(M-H)]- C25H35O8 464.241525 C18rt(min)=7.9 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +PJ001996 SCKK C18H36N6O6S 464.2417 NA PeJP NA NA +PJ001997 LFW C26H32N4O4 464.2424 NA PeJP NA NA +C01631 Z-Arg-Arg C20H32N8O5 464.2496 NA KEGG NA NA +MJ068431 3,9-Dihydroxy-16-kauren-19-oic acid, 3-Cinnamoyl C29H36O5 464.256274 NA MeJP NA NA +MJ068432 5-Vouacapenol; 5?-form, 6?-Cinnamoyloxy, 7?-Hydroxy C29H36O5 464.256274 NA MeJP NA NA +MJ068433 7,15-Dihydroxy-16-kauren-19-oic acid, 15-Cinnamoyl(E-) C29H36O5 464.256274 NA MeJP NA NA +MJ068434 7,15-Dihydroxy-16-kauren-19-oic acid, 7-Cinnamoyl(E-) C29H36O5 464.256274 NA MeJP NA NA +MJ068435 8,11-Epoxy-7,11-dihydroxy-3,9,12-eunicellatrien-2-one, 11-Me ether, 7-(phenylacetyl) C29H36O5 464.256274 NA MeJP NA NA +MJ068436 Decinnamoyljolkinol B; 15-Cinnamoyl C29H36O5 464.256274 NA MeJP NA NA +MJ068437 Euphoractine E C29H36O5 464.256274 NA MeJP NA NA +MJ068438 O-(3-Hydroxy-7-drimen-11-yl)umbelliferone, O-Angeloyl C29H36O5 464.256274 NA MeJP NA NA +MJ068439 Tovophenone A C29H36O5 464.256274 NA MeJP NA NA +MJ068440 Cinprazole C30H32N4O 464.257611 NA MeJP NA NA +MJ068441 Janussine A C30H32N4O 464.257611 NA MeJP NA NA +2811 PEP inhibitor VHLP 464.262 NA Inhouse_peptide NA peptide +PJ001998 GLLY C23H36N4O6 464.2635 NA PeJP NA NA +C09612 Psychotrine C28H36N2O4 464.2675 NA KEGG NA NA +MJ068442 Psychotrine C28H36N2O4 464.267507 NA MeJP NA NA +PJ001999 PVLH C22H36N6O5 464.2747 NA PeJP NA NA +MJ068443 10,12-Epoxy-4,10-seco-13(15),17-spatadiene-2,5,10,12-tetrol, 10,12-Di-Me ether, 2,5-di-Ac C26H40O7 464.277403 NA MeJP NA NA +MJ068444 12,15,16-Spongianetriol, Tri-Ac C26H40O7 464.277403 NA MeJP NA NA +MJ068445 2,7-Dolabelladiene-5,6,10,18-tetrol, 5,6,10-Tri-Ac C26H40O7 464.277403 NA MeJP NA NA +MJ068446 2,7-Dolabelladiene-5,6,10,18-tetrol, 5,6,18-Tri-Ac C26H40O7 464.277403 NA MeJP NA NA +MJ068447 2,9:3,16-Diepoxy-6-asbestinene-4,11-diol, 6?,7?-Epoxide, 11-butanoyl, 4-Ac C26H40O7 464.277403 NA MeJP NA NA +MJ068448 2,9:3,16-Diepoxy-7(19)-asbestinene-4,6,11-triol, 11-Butanoyl, 4-Ac C26H40O7 464.277403 NA MeJP NA NA +MJ068449 3,16,17,19-Kauranetetrol, 3,17,19-Tri-Ac C26H40O7 464.277403 NA MeJP NA NA +MJ068450 6,13-Epoxy-8(19)-eunicellene-4,9,12-triol, Tri-Ac C26H40O7 464.277403 NA MeJP NA NA +MJ068451 6,13-Epoxy-8-eunicellene-3,4,12-triol, Tri-Ac C26H40O7 464.277403 NA MeJP NA NA +MJ068452 6,15,16-Spongianetriol, Tri-Ac C26H40O7 464.277403 NA MeJP NA NA +MJ068453 7,13-Labdadiene-2,15,19-triol, 15-Succinoyl, 19-Ac C26H40O7 464.277403 NA MeJP NA NA +MJ068454 7,15-Isopimaradiene-2,3,19-triol, 19-O-?-D-threo-4-Deoxyhex-4-enopyranoside C26H40O7 464.277403 NA MeJP NA NA +MJ068455 7,15-Isopimaradiene-3,19-diol, 3-Ketone, 19-O-?-D-altropyranoside C26H40O7 464.277403 NA MeJP NA NA +MJ068456 8(17),13-Labdadiene-2,7,15,19-tetrol, 7,15,19-Tri-Ac C26H40O7 464.277403 NA MeJP NA NA +MJ068457 8,13-Labdadiene-2,6,7,15-tetrol, 2,6,7-Tri-Ac C26H40O7 464.277403 NA MeJP NA NA +MJ068458 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Tigloyl C26H40O7 464.277403 NA MeJP NA NA +MJ068459 Antibiotic SU; Antibiotic SU1 C20H40N4O8 464.284614 NA MeJP NA NA +MJ068460 Antibiotic SU; Antibiotic SU3 C20H40N4O8 464.284614 NA MeJP NA NA +MJ068461 Gentamicin B1; 3',4'-Dideoxy C20H40N4O8 464.284614 NA MeJP NA NA +MJ068462 3,4-Seco-4(28),6,8(14),22,24-mariesapentaen-26,23-olid-3-oic acid C30H40O4 464.292659 NA MeJP NA NA +MJ068463 3-Hydroxy-12-oxo-13,15,17(20),22,24-isomalabaricapentaen-26-oic acid, 3-Ketone C30H40O4 464.292659 NA MeJP NA NA +MJ068464 7,15-Dihydroxy-16-kauren-19-oic acid, 7-Lachnophylloyl(E-) C30H40O4 464.292659 NA MeJP NA NA +MJ068465 Abiesanolide A C30H40O4 464.292659 NA MeJP NA NA +MJ068466 Celastrol; Me ester C30H40O4 464.292659 NA MeJP NA NA +MJ068467 Chamaecydin; 6-Oxo, 21?-alcohol C30H40O4 464.292659 NA MeJP NA NA +MJ068468 Chamaecydin; 6-Oxo, 21?-alcohol C30H40O4 464.292659 NA MeJP NA NA +MJ068469 Chamaecydin; 6?-Hydroxy C30H40O4 464.292659 NA MeJP NA NA +MJ068470 Chamaecydin; 6?-Hydroxy C30H40O4 464.292659 NA MeJP NA NA +MJ068471 Cochloxanthin; 4,5-Dihydro C30H40O4 464.292659 NA MeJP NA NA +MJ068472 Isopristimerin III C30H40O4 464.292659 NA MeJP NA NA +MJ068473 Kazinol C C30H40O4 464.292659 NA MeJP NA NA +MJ068474 Kazinol D C30H40O4 464.292659 NA MeJP NA NA +MJ068475 Lancilactone C C30H40O4 464.292659 NA MeJP NA NA +MJ068476 Petrosynol C30H40O4 464.292659 NA MeJP NA NA +MJ068477 Schisanlactone A C30H40O4 464.292659 NA MeJP NA NA +C08633 Pristimerin C30H40O4 464.2927 NA KEGG NA NA +MJ068478 Foropafant C28H40N4S 464.297367 NA MeJP NA NA +MJ068479 Eurystatin; Eurystatin F C24H40N4O5 464.29987 NA MeJP NA NA +MJ068480 10-Aromadendranol, O-[3-Methyl-2Z-pentenoyl-(?2)-?-D-fucopyranoside] C27H44O6 464.313789 NA MeJP NA NA +MJ068481 12,16,22-Trihydroxy-24-methyl-24-oxo-25-scalaranoic acid, Me ester C27H44O6 464.313789 NA MeJP NA NA +MJ068482 2,3,14,20,22-Pentahydroxycholest-7-en-6-one C27H44O6 464.313789 NA MeJP NA NA +MJ068483 2,3,14,20,25-Pentahydroxycholest-7-en-6-one C27H44O6 464.313789 NA MeJP NA NA +MJ068484 2,3,14,22,25-Pentahydroxycholest-7-en-6-one C27H44O6 464.313789 NA MeJP NA NA +MJ068485 2,3,16,17-Phyllocladanetetrol, 2-(3-Methylbutanoyl), 3-Ac C27H44O6 464.313789 NA MeJP NA NA +MJ068486 22,25-Epoxyfurostane-2,3,6,26-tetrol C27H44O6 464.313789 NA MeJP NA NA +MJ068487 27-Nor-3,5,6,15-tetrahydroxyergost-22-en-26-oic acid C27H44O6 464.313789 NA MeJP NA NA +MJ068488 3,14,20,22,25-Pentahydroxycholest-7-en-6-one C27H44O6 464.313789 NA MeJP NA NA +MJ068489 3,14,21,22,25-Pentahydroxycholest-7-en-6-one C27H44O6 464.313789 NA MeJP NA NA +MJ068490 3,5,14,22,25-Pentahydroxycholest-7-en-6-one C27H44O6 464.313789 NA MeJP NA NA +MJ068491 6,13-Epoxy-4(18)-eunicellene-8,9,12-triol, 9-(3-Methylbutanoyl), 12-Ac C27H44O6 464.313789 NA MeJP NA NA +MJ068492 8(17),14-Labdadien-13-ol, 13-O-(3-O-Acetyl-?-D-xylopyranoside) C27H44O6 464.313789 NA MeJP NA NA +MJ068493 8(17),14-Labdadien-13-ol, 13-O-(4-O-Acetyl-?-D-xylopyranoside) C27H44O6 464.313789 NA MeJP NA NA +MJ068494 Aerocavin C27H44O6 464.313789 NA MeJP NA NA +MJ068495 Pregn-5-ene-3,14,20-triol, 3-O-(2,6-Dideoxy-?-L-lyxo-hexopyranoside) C27H44O6 464.313789 NA MeJP NA NA +MJ068496 Pregn-5-ene-3,14,20-triol, 3-O-[2,6-Dideoxy-?-D-ribo-hexopyranoside] C27H44O6 464.313789 NA MeJP NA NA +MJ068497 Pregn-5-ene-3,14,20-triol, 3-O-[2,6-Dideoxy-?-D-xylo-hexopyranoside] C27H44O6 464.313789 NA MeJP NA NA +MJ068498 Pregn-5-ene-3,17,20-triol, 20-O-(2,6-Dideoxy-arabino-hexopyranoside) C27H44O6 464.313789 NA MeJP NA NA +MJ068499 Spirostane-1,2,3,5-tetrol C27H44O6 464.313789 NA MeJP NA NA +MJ068500 Spirostane-1,3,4,5-tetrol C27H44O6 464.313789 NA MeJP NA NA +MJ068501 Spirostane-2,3,5,6-tetrol C27H44O6 464.313789 NA MeJP NA NA +MJ068502 Xestobergsterol B; 1-Deoxy C27H44O6 464.313789 NA MeJP NA NA +MetaCyc03644 ecdysone [molting hormone;] C27H44O6 464.313789 3604-87-3 metacyc NA NA +C00477 Ecdysone C27H44O6 464.3138 NA KEGG NA NA +C08835 Ponasterone A C27H44O6 464.3138 NA KEGG NA NA +C16496 3-Epiecdysone C27H44O6 464.3138 NA KEGG NA NA +MJ068503 17,27-Hentriacontadiene-2,4,6,30-tetrayne-1,8,29-triol C31H44O3 464.329045 NA MeJP NA NA +MJ068504 29-Hydroxy-4,17,27-hentriacontatriene-2,20,30-triynoic acid C31H44O3 464.329045 NA MeJP NA NA +MJ068505 Corticatic acid C C31H44O3 464.329045 NA MeJP NA NA +MJ068506 Difficol C31H44O3 464.329045 NA MeJP NA NA +MJ068507 3,20-Diaminopregn-2-en-4-ol, N20,N20-Di-Me, N3-benzoyl C30H44N2O2 464.340278 NA MeJP NA NA +HMDB02163 Trihydroxycoprostanoic acid C28H48O5 464.35016 http://www.hmdb.ca/metabolites/HMDB02163 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02163 Trihydroxycoprostanoic acid C28H48O5 464.35016 http://www.hmdb.ca/metabolites/HMDB02163 HMDB NA NA +HMDB02163 Trihydroxycoprostanoic acid C28H48O5 464.35016 http://www.hmdb.ca/metabolites/HMDB02163 PFEM_hmdb_metabocards_blood NA blood +HMDB02163 Trihydroxycoprostanoic acid C28H48O5 464.35016 HMDB02163 PFEM_hmdb_metabocards_official NA NA +MJ068508 3,4,5,25-Tetrahydroxyergostan-6-one C28H48O5 464.350174 NA MeJP NA NA +MJ068509 3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3'-Me ether, 1-O-octadecanoyl C28H48O5 464.350174 NA MeJP NA NA +MJ068510 Brassinolide; 2-Deoxy C28H48O5 464.350174 NA MeJP NA NA +MJ068511 Ergost-24(28)-ene-1,3,5,6,11-pentol C28H48O5 464.350174 NA MeJP NA NA +MJ068512 Ergost-24(28)-ene-1,3,5,6,25-pentol C28H48O5 464.350174 NA MeJP NA NA +MJ068513 Ergost-24(28)-ene-3,6,15,16,26-pentol C28H48O5 464.350174 NA MeJP NA NA +MJ068514 Ergost-5-ene-3,22,25,28-tetrol, 5?,6?-Epoxide C28H48O5 464.350174 NA MeJP NA NA +MJ068515 Ergostane-2,3,6,22,23-pentol, 6-Ketone C28H48O5 464.350174 NA MeJP NA NA +MJ068516 Nicobarsterol C28H48O5 464.350174 NA MeJP NA NA +MetaCyc03645 castasterone [] C28H48O5 464.350175 NA metacyc NA NA +HMDB02163 Trihydroxycoprostanoic acid C28H48O5 464.350189 NA HMDB2010 NA NA +C15794 Castasterone C28H48O5 464.3502 NA KEGG NA NA +C17733 7-Oxateasterone C28H48O5 464.3502 NA KEGG NA NA +C17735 7-Oxatyphasterol C28H48O5 464.3502 NA KEGG NA NA +MJ068517 6,12,20(30)-Ursatrien-3-ol, Ac C32H48O2 464.36543 NA MeJP NA NA +MJ068518 Pregnane-3,20-diamine, N3,N20,N20-Tri-Me, N3-benzoyl C31H48N2O 464.376664 NA MeJP NA NA +MJ068519 Callyspongyne A C33H52O 464.401816 NA MeJP NA NA +MJ068520 Budmunchiamine L6 C28H56N4O 464.445412 NA MeJP NA NA +C08377 Hentriacontane-14,16-dione C31H60O2 464.4593 NA KEGG NA NA +MJ068521 10,12-Hentriacontanedione C31H60O2 464.459331 NA MeJP NA NA +MJ068522 10-Oxohentriacontanal C31H60O2 464.459331 NA MeJP NA NA +MJ068523 12,14-Hentriacontanedione C31H60O2 464.459331 NA MeJP NA NA +MJ068524 12-Oxohentriacontanal C31H60O2 464.459331 NA MeJP NA NA +MJ068525 14,16-Hentriacontanedione C31H60O2 464.459331 NA MeJP NA NA +MJ068526 19,27-Dimethyl-28-oxononacosanal C31H60O2 464.459331 NA MeJP NA NA +MJ068527 7-Hydroxy-26-methyl-26-triaconten-4-one C31H60O2 464.459331 NA MeJP NA NA +MJ068528 8,10-Hentriacontanedione C31H60O2 464.459331 NA MeJP NA NA +MJ068529 16-Dotriacontanone C32H64O 464.495716 NA MeJP NA NA +MJ068530 2-Dotriacontanone C32H64O 464.495716 NA MeJP NA NA +MJ068531 4-Dotriacontanone C32H64O 464.495716 NA MeJP NA NA +C08393 Tritriacontane C33H68 464.5321 NA KEGG NA NA +MJ068532 11,17-Dimethylhentriacontane C33H68 464.532102 NA MeJP NA NA +MJ068533 2,3,4-Trimethyltriacontane C33H68 464.532102 NA MeJP NA NA +MJ068534 2-Methyldotriacontane C33H68 464.532102 NA MeJP NA NA +MJ068535 3-Methyldotriacontane C33H68 464.532102 NA MeJP NA NA +MJ068536 6-Methyldotriacontane C33H68 464.532102 NA MeJP NA NA +MJ068537 Tritriacontane C33H68 464.532102 NA MeJP NA NA +7577 ACE inhibitor from chicken muscle FKGRYYP 464.731 MH2+ Inhouse_peptide NA peptide +40 Creatine kinase FKGRYYP 464.7325 MH2+ Inhouse_peptide NA peptide +3416 ACE inhibitor PSKIKWGD 464.74145 MH2+ Inhouse_peptide NA peptide +MJ068538 1,1,1,15,15,15-Hexachloro-3,12-pentadecadiyn-8-amine, N-Ac C17H21Cl6NO 464.97543 NA MeJP NA NA +MJ068539 Psammaplin D C15H20BrN3O5S2 465.002774 NA MeJP NA NA +MJ068540 3-Hydroxy-6-(methylthio)hexyl glucosinolate C14H27NO10S3 465.079708 NA MeJP NA NA +MJ068541 6-(Methylthio)hexyl glucosinolate; S-Oxide C14H27NO10S3 465.079708 NA MeJP NA NA +C12138 Delphinidin 3-O-glucoside C21H21O12 465.1033 NA KEGG NA NA +FL7AAGGA0001 Empetrin;Delphinidin 3-O-beta-D-galactopyranoside C21H21O12 465.1033 68852-84-6 knapsack NA NA +FL7AAGGL0002 Myrtillin;Delphinidin 3-O-beta-D-glucopyranoside C21H21O12 465.1033 6906-38-3 knapsack NA NA +FL7AAGGS0003 Bladhianin C21H21O12 465.1033 32369-03-2 knapsack NA NA +FL7AAGGS0004 Delphinidin 7-glucoside C21H21O12 465.1033 27413-99-6 knapsack NA NA +FL7AECGL0001 6-Hydroxycyanidin 3-glucoside C21H21O12 465.1033 99124-24-0<BR>478693-93-5 knapsack NA NA +MetaCyc03646 delphinidin-3-O-β-D-glucoside [delfinidin-3-O-glucoside;] C21H21O12 465.103301 NA metacyc NA NA +MJ068542 3-[[6-[(5-Fluoro-2-benzothiazolyl)methoxy]-3,4-dihydro-4-hydroxy-2H-1-benzopyran-3-yl]methyl]benzoic acid C25H20FNO5S 465.104621 NA MeJP NA NA +PJ002000 CNDD C15H23N5O10S 465.1166 NA PeJP NA NA +EUR251 Thiamin monophosphate F5 F5 465.130875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR251 Thiamine monophosphate F5 NA 465.130875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR251 Thiamin monophosphate F5 F5 465.130875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR251 Thiamine monophosphate F5 NA 465.130875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR251 Thiamin monophosphate F5 F5 465.130875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR251 Thiamine monophosphate F5 NA 465.130875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR251 Thiamin monophosphate F5 F5 465.130875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR251 Thiamin monophosphate F5 F5 465.130875 standards wishlist analysés sur QTOF HMDB NA NA +EUR251 Thiamin monophosphate F5 F5 465.130875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR251 Thiamine monophosphate F5 NA 465.130875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR251 Thiamin monophosphate F5 F5 465.130875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR251 Thiamin monophosphate F5 F5 465.130875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ002001 GSPCC C16H27N5O7S2 465.1352 NA PeJP NA NA +MJ068543 Tebuquine C26H25Cl2N3O 465.137467 NA MeJP NA NA +MJ068544 Nikkomycin Kx C19H23N5O9 465.149577 NA MeJP NA NA +MJ068545 Nikkomycin Kz C19H23N5O9 465.149577 NA MeJP NA NA +PJ002002 SNDM C16H27N5O9S 465.153 NA PeJP NA NA +MJ068546 3,4,5-Trihydroxy-2-[[2-[(3-pyridinylcarbonyl)amino]benzoyl]amino]benzoic acid; Tri-Me ether, Me ester C24H23N3O7 465.1536 NA MeJP NA NA +MJ068547 Bacampicillin C21H27N3O7S 465.15697 NA MeJP NA NA +C08122 Bacampicillin C21H27N3O7S 465.157 NA KEGG NA NA +PJ002003 GTCW C20H27N5O6S 465.1682 NA PeJP NA NA +MJ068548 1,1'-Dimethyl-3,3'-bipyridinium(2+) C12H14N22(+) 465.169353 NA MeJP NA NA +PJ002004 GSSSE C16H27N5O11 465.1707 NA PeJP NA NA +PJ002005 GQMM C17H31N5O6S2 465.1716 NA PeJP NA NA +MJ068549 Omiloxetine C27H25F2NO4 465.175164 NA MeJP NA NA +MJ068550 8-Acetonylcorynoline; Ac C26H27NO7 465.178752 NA MeJP NA NA +MJ068551 Akrobomycin; 6-Deoxy C26H27NO7 465.178752 NA MeJP NA NA +MJ068552 Brasiliquinone B; 8-O-(3-Amino-2,3,6-trideoxy-?-L-ribo-hexopyranoside) C26H27NO7 465.178752 NA MeJP NA NA +MJ068553 Squamosamide C26H27NO7 465.178752 NA MeJP NA NA +MJ068554 Bevonium(1+); Methosulfate C23H31NO7S 465.182123 NA MeJP NA NA +MJ068555 Sulprostone C23H31NO7S 465.182123 NA MeJP NA NA +PJ002006 GCMR C16H31N7O5S2 465.1828 NA PeJP NA NA +MJ068556 Cisapride C23H29ClFN3O4 465.183062 NA MeJP NA NA +C06910 Cisapride C23H29ClFN3O4 465.1831 NA KEGG NA NA +MJ068557 Mycosporin glutamicol; 5'-O-?-D-Glucopyranoside C19H31NO12 465.184625 NA MeJP NA NA +PJ002007 SSSW C20H27N5O8 465.186 NA PeJP NA NA +PJ002008 STQM C17H31N5O8S 465.1893 NA PeJP NA NA +PJ002009 GGTTM C17H31N5O8S 465.1894 NA PeJP NA NA +3490 ACE inhibitor from sake lees FWN 465.1899 ACE inhibitor Inhouse_peptide NA peptide +HMDB03323 Biotripyrrin-a C25H27N3O6 465.189972 NA HMDB2010 NA NA +HMDB03324 Biotripyrrin-b C25H27N3O6 465.189972 NA HMDB2010 NA NA +HMDB03323 Biotripyrrin-a C25H27N3O6 465.19 http://www.hmdb.ca/metabolites/HMDB03323 HMDB NA NA +HMDB03324 Biotripyrrin-b C25H27N3O6 465.19 http://www.hmdb.ca/metabolites/HMDB03324 HMDB NA NA +HMDB03323 Biotripyrrin-a C25H27N3O6 465.19 HMDB03323 PFEM_hmdb_metabocards_official NA NA +HMDB03324 Biotripyrrin-b C25H27N3O6 465.19 HMDB03324 PFEM_hmdb_metabocards_official NA NA +MJ068558 Ligularine C23H31NO9 465.199881 NA MeJP NA NA +PJ002010 STCR C16H31N7O7S 465.2006 NA PeJP NA NA +PJ002011 NFW C24H27N5O5 465.2012 NA PeJP NA NA +C13771 S9947 C29H27N3O3 465.2052 NA KEGG NA NA +MJ068559 21-Chloro-11-[4-(dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-dien-20-yn-3-one; N-Oxide C28H32ClNO3 465.207071 NA MeJP NA NA +PJ002012 GSTTT C17H31N5O10 465.2071 NA PeJP NA NA +PJ002013 GKMM C18H35N5O5S2 465.208 NA PeJP NA NA +7671 ACE inhibitor from b-CN (56-59), mouse QAFT 465.21 antioxidative Inhouse_peptide NA peptide +MJ068560 Delgramine C27H31NO6 465.215137 NA MeJP NA NA +MJ068561 Ignavine; 7?-Hydroxy C27H31NO6 465.215137 NA MeJP NA NA +PJ002014 GVQY C21H31N5O7 465.2224 NA PeJP NA NA +PJ002015 STKM C18H35N5O7S 465.2257 NA PeJP NA NA +MJ068562 Cadabicine; 4-Methoxy C26H31N3O5 465.226371 NA MeJP NA NA +MJ068563 Capparisine C26H31N3O5 465.226371 NA MeJP NA NA +MJ068564 Codonocarpine C26H31N3O5 465.226371 NA MeJP NA NA +C10582 Codonocarpine C26H31N3O5 465.2264 NA KEGG NA NA +3278 NA GHRP 465.232 celiac toxic Inhouse_peptide NA peptide +PJ002016 QRY C20H31N7O6 465.2336 NA PeJP NA NA +CJpos0801 Testosterone glucuronide [(M+H)]+ (13C) C2413CH37O8 465.243875 C18rt(min)=7.9 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0801 Testosterone glucuronide [(M+H)]+ (13C) C2413CH37O8 465.243875 C18rt(min)=7.9 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +PJ002017 GPHR C19H31N9O5 465.2448 NA PeJP NA NA +CJneg0613 Dehydroepiandrosterone glucuronide [(M-H)]- (13C) C2413CH35O8 465.244925 C18rt(min)=8.2 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0614 Testosterone glucuronide [(M-H)]- (13C) C2413CH35O8 465.244925 C18rt(min)=7.9 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0613 Dehydroepiandrosterone glucuronide [(M-H)]- (13C) C2413CH35O8 465.244925 C18rt(min)=8.2 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0614 Testosterone glucuronide [(M-H)]- (13C) C2413CH35O8 465.244925 C18rt(min)=7.9 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ068565 7,18-Dihydroxy-16,18-dimethyl-10-phenyl-22-oxa[12]cytochalasa-6(12),13,19-triene-1,21-dione C28H35NO5 465.251523 NA MeJP NA NA +MJ068566 7-Hydroperoxy-17-hydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-5,13,19-triene-1,21-dione C28H35NO5 465.251523 NA MeJP NA NA +MJ068567 Cytochalasin C; 5?,6?-Dihydro, 7-ketone, O-de-Ac C28H35NO5 465.251523 NA MeJP NA NA +MJ068568 Cytochalasin C; O-De-Ac C28H35NO5 465.251523 NA MeJP NA NA +MJ068569 Trideacetylpyripyropene A; 7,11,19-Trideoxy, 3-propanoyl C28H35NO5 465.251523 NA MeJP NA NA +MJ068570 Zygosporin D C28H35NO5 465.251523 NA MeJP NA NA +HMDB01036 Angiotensin III C46H66N12O9 465.253784 MH2+ Inhouse_peptide NA peptide +3766 dipeptidyl carboxypeptidase inhibitor PPRP 465.257 ACE inhibitor Inhouse_peptide NA peptide +MJ068571 Xenocoumacin 1 C22H35N5O6 465.258733 NA MeJP NA NA +PJ002018 GVKY C22H35N5O6 465.2588 NA PeJP NA NA +PJ002019 KRY C21H35N7O5 465.27 NA PeJP NA NA +MJ068572 Acoseptrine; 10-Deoxy, O6-Ac C25H39NO7 465.272652 NA MeJP NA NA +MJ068573 Browniine; 14-Ketone C25H39NO7 465.272652 NA MeJP NA NA +MJ068574 Delcorine; O1,O14-Di-de-Me, O6-Me C25H39NO7 465.272652 NA MeJP NA NA +MJ068575 Delcorine; O14-De-Me C25H39NO7 465.272652 NA MeJP NA NA +MJ068576 Delphatine; O6-De-Me, 6-ketone C25H39NO7 465.272652 NA MeJP NA NA +MJ068577 Dictyocarpinine; 14-Me ether C25H39NO7 465.272652 NA MeJP NA NA +MJ068578 Dihydrogadesine; O14-Ac C25H39NO7 465.272652 NA MeJP NA NA +MJ068579 Gadesine; 18-Methoxy, O14-Me C25H39NO7 465.272652 NA MeJP NA NA +MJ068580 Pubescenine; O18-De-Me, 6-deoxy C25H39NO7 465.272652 NA MeJP NA NA +MJ068581 Senbusine A; O14-Ac C25H39NO7 465.272652 NA MeJP NA NA +MJ068582 Talitine B; O16-De-Me C25H39NO7 465.272652 NA MeJP NA NA +MJ068583 Virescenine; O14-Ac C25H39NO7 465.272652 NA MeJP NA NA +MJ068584 3',4'-Dideoxykanamycin B; 3''-N-Me C19H39N5O8 465.279863 NA MeJP NA NA +EUR729 Lyso PC 14:1 monoisotopic mass C22H44NO7P 465.285542 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR841 Lyso PE 18:1 [M-H-CH3]- C23H46NO7P 465.285542 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR729 Lyso PC 14:1 monoisotopic mass C22H44NO7P 465.285542 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR841 Lyso PE 18:1 [M-H-CH3]- C23H46NO7P 465.285542 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR729 Lyso PC 14:1 monoisotopic mass C22H44NO7P 465.285542 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR841 Lyso PE 18:1 [M-H-CH3]- C23H46NO7P 465.285542 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR729 Lyso PC 14:1 monoisotopic mass C22H44NO7P 465.285542 masses lipides attendues Inhousejuil11 NA NA +EUR841 Lyso PE 18:1 [M-H-CH3]- C23H46NO7P 465.285542 masses lipides attendues Inhousejuil11 NA NA +HMDB10380 LysoPC(14:1(9Z)) C22H44NO7P 465.285553 NA HMDB2010 NA NA +MJ068585 Ascochalasin C29H39NO4 465.287908 NA MeJP NA NA +MJ068586 Indanomycin; 16-Deethyl C29H39NO4 465.287908 NA MeJP NA NA +CJpos0802 Glycocholic acid [M+H]+ C26H44O6N 465.308475 C18rt(min)=8.43 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0803 Glycocholic acid isomer [M+H]+ C26H44O6N 465.308475 C18rt(min)=7.5 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0804 Glycocholic acid isomer [M+H]+ C26H44O6N 465.308475 C18rt(min)=7.75 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0805 Glycocholic acid isomer [M+H]+ C26H44O6N 465.308475 C18rt(min)=7.12 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0802 Glycocholic acid [M+H]+ C26H44O6N 465.308475 C18rt(min)=8.43 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJpos0803 Glycocholic acid isomer [M+H]+ C26H44O6N 465.308475 C18rt(min)=7.5 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0804 Glycocholic acid isomer [M+H]+ C26H44O6N 465.308475 C18rt(min)=7.75 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +CJpos0805 Glycocholic acid isomer [M+H]+ C26H44O6N 465.308475 C18rt(min)=7.12 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +EUR643 Glycocholic acid [M+H]+ 465.309 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR643 Glycocholic acid [M+H]+ 465.309 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR643 Glycocholic acid [M+H]+ 465.309 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR643 Glycocholic acid [M+H]+ 465.309 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C01921 Glycocholate C26H43NO6 465.309 NA KEGG NA NA +C01923 Heteroglycan C26H43NO6 465.309 NA KEGG NA NA +MJ068587 Glycocholate C26H43NO6 465.309038 NA MeJP NA NA +MJ068588 Chasmanine; 18-O-De-Me, 8,14-di-Me ether C26H43NO6 465.309038 NA MeJP NA NA +MJ068589 Chasmanine; 8-Me ether C26H43NO6 465.309038 NA MeJP NA NA +MJ068590 Glycocholic acid C26H43NO6 465.309038 NA MeJP NA NA +MJ068591 Senbusine A; O1,O6,O14-Tri-Me C26H43NO6 465.309038 NA MeJP NA NA +MetaCyc03647 glycocholate [glycocholic acid;3α,7α,12α-trihydroxy-5β-cholan-24-oylglycine;] C26H43N1O6 465.309038 475-31-0 metacyc NA NA +EUR643 Glycocholic acid NA 465.309039 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_urine NA urine +EUR643 Glycocholic acid NA 465.309039 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR643 Glycocholic acid NA 465.309039 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR643 Glycocholic acid NA 465.309039 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR643 Glycocholic acid NA 465.309039 identifiés dans standard mixture NuGO HMDB NA NA +EUR643 Glycocholic acid NA 465.309039 identifies dans standard mixture NuGO Inhouse_PFEM NA NA +EUR643 Glycocholic acid NA 465.309039 466.316239 Inhouse_sept12 NA NA +EUR643 Glycocholic acid NA 465.309039 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_blood NA blood +EUR643 Glycocholic acid NA 465.309039 identifies dans standard mixture NuGO PFEM_hmdb_metabocards_official NA NA +HMDB00138 Glycocholic acid C26H43NO6 465.30905 http://www.hmdb.ca/metabolites/HMDB00138 PFEM_hmdb_metabocards_urine NA urine +HMDB00138 Glycocholic acid C26H43NO6 465.30905 http://www.hmdb.ca/metabolites/HMDB00138 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00138 Glycocholic acid C26H43NO6 465.30905 http://www.hmdb.ca/metabolites/HMDB00138 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00138 Glycocholic acid C26H43NO6 465.30905 http://www.hmdb.ca/metabolites/HMDB00138 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00138 Glycocholic acid C26H43NO6 465.30905 http://www.hmdb.ca/metabolites/HMDB00138 HMDB NA NA +HMDB00331 3a,7b,12a-Trihydroxyoxocholanyl-Glycine C26H43NO6 465.30905 http://www.hmdb.ca/metabolites/HMDB00331 HMDB NA NA +HMDB00138 Glycocholic acid C26H43NO6 465.30905 NA ;SYN:(-)-tryptophan; (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; (S)-1H-Indole-3-alanine; (S)-2-Amino-3-(3-indolyl)propionic acid; (S)-a-Amino-1H-indole-3-propanoate; (S)-a-Amino-1H-indole-3-propanoic acid; (S)-a-Aminoindole-3-propionate; (S)-a-Aminoindole-3-propionic acid; (S)-alpha-Amino-1H-indole-3-propanoic acid; (S)-alpha-Amino-beta-(3-indolyl)-propionic acid; (S)-alpha-Aminoindole-3-propionic acid; (l)-tryptophan; (s)-a-amino-b-indolepropionate; (s)-a-amino-b-indolepropionic acid; (s)-alpha-amino-beta-indolepropionic acid; (s)-tryptophan; 1-beta-3-Indolylalanine; 1H-Indole-3-Alanine; 1beta-3-Indolylalanine; 2-Amino-3-indolylpropanoate; 2-Amino-3-indolylpropanoic acid; 3-Indol-3-ylalanine; Ardeytropin; H-TRP-oh; Indole-3-alanine; Kalma; L-(-)-tryptophan; L-Tryptophan; 3-(1H-indol-3-yl)-L-Alanine; L-alpha-amino-3-indolepropionic acid; L-alpha-aminoindole-3-propionic acid; L-beta-3-indolylalanine; L-tryptofan; L-tryptophane; Lopac-T-0254; Lyphan; Optimax; Pacitron; Sedanoct; Triptofano; Trofan; Tryptacin; Tryptan; Tryptophan; Tryptophane; Tryptophanum; alpha'-Amino-3-indolepropionic acid; alpha-Aminoindole-3-propionic acid; l-b-3-Indolylalanine; (S)-alpha-Amino-1H-indole-3-propanoate; (S)-alpha-Aminoindole-3-propionate; (s)-alpha-amino-beta-indolepropionate; (2S)-2-amino-3-(1H-indol-3-yl)propanoateH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +HMDB00138 Glycocholic acid C26H43NO6 465.30905 http://www.hmdb.ca/metabolites/HMDB00138 PFEM_hmdb_metabocards_blood NA blood +HMDB00138 Glycocholic acid C26H43NO6 465.30905 HMDB00138 PFEM_hmdb_metabocards_official NA NA +HMDB00331 3a,7b,12a-Trihydroxyoxocholanyl-Glycine C26H43NO6 465.30905 HMDB00331 PFEM_hmdb_metabocards_official NA NA +HMDB00138 Glycocholic acid C26H43NO6 465.309052 NA HMDB2010 NA NA +HMDB00331 3a,7b,12a-Trihydroxyoxocholanyl-Glycine C26H43NO6 465.309052 NA HMDB2010 NA NA +CJneg0615 Glycocholic acid [M-H]- C26H42O6N 465.309625 C18rt(min)=8.43 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0616 Glycocholic acid isomer [M-H]- C26H42O6N 465.309625 C18rt(min)=7.5 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0617 Glycocholic acid isomer [M-H]- C26H42O6N 465.309625 C18rt(min)=7.75 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0618 Glycocholic acid isomer [M-H]- C26H42O6N 465.309625 C18rt(min)=7.12 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0615 Glycocholic acid [M-H]- C26H42O6N 465.309625 C18rt(min)=8.43 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0616 Glycocholic acid isomer [M-H]- C26H42O6N 465.309625 C18rt(min)=7.5 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0617 Glycocholic acid isomer [M-H]- C26H42O6N 465.309625 C18rt(min)=7.75 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +CJneg0618 Glycocholic acid isomer [M-H]- C26H42O6N 465.309625 C18rt(min)=7.12 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +MJ068592 18-Isocyano-4,6,8,10,12-pentamethoxy-13,15-dimethyl-1,13,15-nonadecatriene C27H47NO5 465.345423 NA MeJP NA NA +C03640 Sphingosyl-phosphocholine C23H50N2O5P 465.3457 NA KEGG NA NA +HMDB06482 D-erythro-sphingosylphosphorylcholine C23H50N2O5P 465.34573 http://www.hmdb.ca/metabolites/HMDB06482 HMDB NA NA +HMDB06482 D-erythro-sphingosylphosphorylcholine C23H50N2O5P 465.34573 HMDB06482 PFEM_hmdb_metabocards_official NA NA +HMDB06482 LysoSM(d18:1) C23H50N2O5P 465.345734 NA HMDB2010 NA NA +MJ068593 Sphingosyl-phosphocholine C23H50N2O5P 465.345734 NA MeJP NA NA +MetaCyc03648 sphingosyl-phosphocholine [] C23H50N2O5P1 465.345734 NA metacyc NA NA +MJ068594 3,5-Acarnidine C26H51N5O2 465.404275 NA MeJP NA NA +3657 NA VTKFYFQ 465.733 MH2+ Inhouse_peptide NA peptide +2672 synthetic fr, of human beta-CN (122-129) ACE inhibitor ENLHLPLP 465.74945 MH2+ Inhouse_peptide NA peptide +MJ068595 Canesolide C18H14Cl4O6 465.954449 NA MeJP NA NA +MJ068596 Chelonin B; 5-Bromo C19H20Br2N2O2 465.989153 NA MeJP NA NA +MJ068597 Temefos C16H20O6P2S3 465.989723 NA MeJP NA NA +MJ068598 Graciosin C17H24Br2O5 465.999049 NA MeJP NA NA +MJ068599 Carumonam C12H14N6O10S2 466.021282 NA MeJP NA NA +MJ068600 Bergenin; O-De-Me, 11-O-(3,4,5-trihydroxybenzoyl) C20H18O13 466.07474 NA MeJP NA NA +MJ068601 Bergenin; O-De-Me, 4-O-(3,4,5-trihydroxybenzoyl) C20H18O13 466.07474 NA MeJP NA NA +MJ068602 1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 1,2,4-Tri-Ac C24H18O10 466.089996 NA MeJP NA NA +MJ068603 10-Hydroxy-2H,13H-furo[3,2-c:5,4-h']bis[1]benzopyran-2,13-dione; O-(?-L-Rhamnoside) C24H18O10 466.089996 NA MeJP NA NA +MJ068604 Butaglionamide C19H22N4O6S2 466.098075 NA MeJP NA NA +MetaCyc03649 N-adenylylanthranilate [] C17H19N6O8P1 466.100198 NA metacyc NA NA +C03293 N-Adenylylanthranilate C17H19N6O8P 466.1002 NA KEGG NA NA +C03294 N-Formylmethionyl-tRNA C21H30N6O12PSR 466.1002 NA KEGG NA NA +PJ002020 CDDD C15H22N4O11S 466.1006 NA PeJP NA NA +MJ068605 Shoreaphenol C28H18O7 466.105252 NA MeJP NA NA +MJ068606 Benfotiamine C19H23N4O6PS 466.107591 NA MeJP NA NA +C03430 Quercetin 7-O-glucoside C21H22O12 466.1111 NA KEGG NA NA +C17531 Plantagoside C21H22O12 466.1111 NA KEGG NA NA +FL1CAGGS0001 3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside C21H22O12 466.11112 20126-64-1 knapsack NA NA +FL1CHYGS0003 3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside C21H22O12 466.11112 97943-73-4 knapsack NA NA +FL2FACGS0009 2,5,7,3',4'-Pentahydroxyflavanone 5-O-glucoside C21H22O12 466.11112 57943-73-4 knapsack NA NA +FL2FAGGS0001 Plantagoside C21H22O12 466.11112 78708-33-5 knapsack NA NA +FL4DACCS0001 6-C-Glucopyranosyldihydroquercetin C21H22O12 466.11112 112494-39-0 knapsack NA NA +FL4DACGS0006 Taxifolin 3-galactoside C21H22O12 466.11112 77122-69-1 knapsack NA NA +FL4DACGS0007 (2R,3R)-Taxifolin 3-glucoside C21H22O12 466.11112 27297-45-6 knapsack NA NA +FL4DACGS0008 Isoglucodistylin C21H22O12 466.11112 83648-98-0 knapsack NA NA +FL4DACGS0009 (2S,3S)-Taxifolin 3-glucoside C21H22O12 466.11112 129212-92-6 knapsack NA NA +FL4DACGS0015 Taxifolin 5-galactoside C21H22O12 466.11112 81074-97-7 knapsack NA NA +FL4DACGS0016 Taxifolin 7-galactoside C21H22O12 466.11112 72442-45-6 knapsack NA NA +FL4DACGS0017 Taxifolin 7-glucoside C21H22O12 466.11112 14292-40-1 knapsack NA NA +FL4DACGS0019 Taxifolin 3'-glucoside C21H22O12 466.11112 31106-05-5 knapsack NA NA +FL4DACGS0021 Taxifolin 4'-glucoside C21H22O12 466.11112 38690-65-2 knapsack NA NA +FL4DAGGS0001 Ampelopsin 3-rhamnoside C21H22O12 466.11112 80443-12-5 knapsack NA NA +FL4DFAGS0001 Callunin C21H22O12 466.11112 83905-64-0 knapsack NA NA +MJ068607 1,2,5,6,8-Pentahydroxyxanthone; 2,6-Di-Me ether, 5-O-?-D-glucopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068608 1,2,5,6,8-Pentahydroxyxanthone; 5,6-Di-Me ether, 2-O-?-D-glucopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068609 1,3,4,5,8-Pentahydroxyxanthone; 4,5-Di-Me ether, 1-O-?-D-glucopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068610 1,3,5,6,7-Pentahydroxyxanthone; 3,5-Di-Me ether, 7-O-?-D-glucopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068611 1,3,5,6,7-Pentahydroxyxanthone; 3,7-Di-Me ether, 5-O-?-D-glucopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068612 2',3,4,4',5,6'-Hexahydroxychalcone; 2'-O-?-D-Glucopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068613 2,3',4',5,7-Pentahydroxyflavanone; 2'-O-?-D-Glucopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068614 2,5-Dihydroxybenzoic acid; 5-O-[4-Hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] C21H22O12 466.111126 NA MeJP NA NA +MJ068615 3',4',5,5',7-Pentahydroxyflavanone, 3'-O-?-D-Glucopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068616 3,3',4',5,5',7-Hexahydroxyflavanone, 3-O-?-L-Rhamnopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068617 3,3',4',5,7-Pentahydroxyflavanone, 3'-O-?-D-Glucopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068618 3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-D-Galactopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068619 3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-D-Glucopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068620 3,3',4',5,7-Pentahydroxyflavanone, 4'-O-?-D-Glucopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068621 3,3',4',5,7-Pentahydroxyflavanone, 5-O-?-D-Galactopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068622 3,3',4',5,7-Pentahydroxyflavanone, 7-O-?-D-Galactopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068623 3,3',4',5,7-Pentahydroxyflavanone, 7-O-?-D-Glucopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068624 3,3',4',5,7-Pentahydroxyflavanone, 7-O-?-D-Glucopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068625 3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-D-Glucopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068626 3,4',5,7,8-Pentahydroxyflavanone, 8-O-?-D-Glucopyranoside C21H22O12 466.111126 NA MeJP NA NA +MJ068627 6-Glucosyl-3,3',4',5,7-pentahydroxyflavanone C21H22O12 466.111126 NA MeJP NA NA +FL2FACNN0001 Silandrin C25H22O9 466.12638 70815-32-6 knapsack NA NA +FL2FACNN0002 Silyhermin C25H22O9 466.12638 96238-88-9 knapsack NA NA +FL2FACNN0003 Neosilyhermin A C25H22O9 466.12638 96291-04-2 knapsack NA NA +FL2FACNN0004 Neosilyhermin B C25H22O9 466.12638 96238-87-8 knapsack NA NA +FL2FQUNN0001 Silymonin C25H22O9 466.12638 70815-31-5 knapsack NA NA +MJ068628 Cadensin D C25H22O9 466.126382 NA MeJP NA NA +MJ068629 Kielcorin, 6-Methoxy C25H22O9 466.126382 NA MeJP NA NA +MJ068630 Neosilyhermin A C25H22O9 466.126382 NA MeJP NA NA +MJ068631 Silandrin C25H22O9 466.126382 NA MeJP NA NA +MJ068632 Silyhermin C25H22O9 466.126382 NA MeJP NA NA +C08600 Silandrin C25H22O9 466.1264 NA KEGG NA NA +C11315 S-(4-Azidophenacyl)glutathione C18H22N6O7S 466.1271 NA KEGG NA NA +PJ002021 CCNQ C15H26N6O7S2 466.1305 NA PeJP NA NA +PJ002022 SDDM C16H26N4O10S 466.137 NA PeJP NA NA +MJ068633 7-Protoilludene-1,5,6,9,14-pentol, 14-Aldehyde, 5-(3-chloro-4,6-dihydroxy-2-methylbenzoyl) C23H27ClO8 466.139445 NA MeJP NA NA +MJ068634 Acetomeroctol C16H24HgO3 466.14317 NA MeJP NA NA +CJpos0806 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+Na)]+ C20H28NaO11 466.144575 C18rt(min)=8.68 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0806 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+Na)]+ C20H28NaO11 466.144575 C18rt(min)=8.68 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +C09765 Agnuside C22H26O11 466.1475 NA KEGG NA NA +FL63ADGS0001 Symplocoside C22H26O11 466.14751 76502-76-6 knapsack NA NA +FL63AEGS0001 Catechin 5-O-beta-D-glucopyranoside-4'-Me C22H26O11 466.14751 - knapsack NA NA +FL6DADGS0001 Catechin-4-ol 3'-methyl ether 3-O-alpha-L-rhamnopyranoside C22H26O11 466.14751 75303-47-8 knapsack NA NA +MJ068635 1-(4-Hydroxyphenyl)-1,2,3-propanetriol, 2-O-[4-Hydroxybenzoyl-(?6)-?-D-glucopyranoside] C22H26O11 466.147511 NA MeJP NA NA +MJ068636 3,3',4',5,7-Pentahydroxyflavan, 3'-Me ether, 7-O-?-D-glucopyranoside C22H26O11 466.147511 NA MeJP NA NA +MJ068637 3,3',4,4',5,7-Hexahydroxyflavan, 3'-Me ether, 3-O-?-L-rhamnopyranoside C22H26O11 466.147511 NA MeJP NA NA +MJ068638 Aucubigenin; 10-O-(4-Hydroxybenzoyl), 1-O-?-D-glucopyranoside C22H26O11 466.147511 NA MeJP NA NA +MJ068639 Aviprin, 2'-O-?-D-Glucopyranoside C22H26O11 466.147511 NA MeJP NA NA +MJ068640 Aviprin, 3'-O-?-D-Glucopyranoside C22H26O11 466.147511 NA MeJP NA NA +MJ068641 Catalpol; 10-O-Benzoyl C22H26O11 466.147511 NA MeJP NA NA +MJ068642 Catalpol; 6-O-Benzoyl C22H26O11 466.147511 NA MeJP NA NA +MJ068643 Curculigoside C22H26O11 466.147511 NA MeJP NA NA +MJ068644 Eurycomanol; 2-Ketone, 13?,18-epoxide, 15-Ac C22H26O11 466.147511 NA MeJP NA NA +MJ068645 Forsythenside B C22H26O11 466.147511 NA MeJP NA NA +MJ068646 Heraclenol, 3'-O-?-D-Glucopyranoside C22H26O11 466.147511 NA MeJP NA NA +MJ068647 Monomelittoside; 10-Benzoyl C22H26O11 466.147511 NA MeJP NA NA +MJ068648 Trifochalcanoloside I; 3-Hydroxy C22H26O11 466.147511 NA MeJP NA NA +PJ002023 GSSCN C15H26N6O9S 466.1482 NA PeJP NA NA +PJ002024 GEMM C17H30N4O7S2 466.1556 NA PeJP NA NA +MJ068649 Spiraprilat; Et ester C22H30N2O5S2 466.159613 NA MeJP NA NA +FL3FA9NP0008 Polystachin (flavone);(9S)-9-[(1R)-1,2-bis(Acetyloxy)-2-methylpropyl]-8,9-dihydro-5-methoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one C26H26O8 466.16276 70270-39-2 knapsack NA NA +MJ068650 Araliangin C26H26O8 466.162767 NA MeJP NA NA +MJ068651 Cycloepiatalantin; 7-Ketone C26H26O8 466.162767 NA MeJP NA NA +MJ068652 Erythbigenol A; 1'',2''-Didehydro C26H26O8 466.162767 NA MeJP NA NA +MJ068653 Lehmbachol D C26H26O8 466.162767 NA MeJP NA NA +MJ068654 Polystachin C26H26O8 466.162767 NA MeJP NA NA +MJ068655 [p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',4,4'',5'-Tetra-Me ether, 3',6'-di-Ac C26H26O8 466.162767 NA MeJP NA NA +MJ068656 [p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',4,4'',6'-Tetra-Me ether, 3',5'-di-Ac C26H26O8 466.162767 NA MeJP NA NA +MJ068657 Antibiotic TAN 1030A C27H22N4O4 466.164105 NA MeJP NA NA +PJ002025 CCNK C16H30N6O6S2 466.1668 NA PeJP NA NA +PJ002026 GGCCK C16H30N6O6S2 466.1669 NA PeJP NA NA +MJ068658 Win 45204 C29H23FN2O3 466.16927 NA MeJP NA NA +PJ002027 GDEF C20H26N4O9 466.17 NA PeJP NA NA +PJ002028 MMW C21H30N4O4S2 466.1709 NA PeJP NA NA +PJ002029 STEM C17H30N4O9S 466.1734 NA PeJP NA NA +PJ002030 ACHH C18H26N8O5S 466.1747 NA PeJP NA NA +MJ068659 7-Protoilludene-1,5,6,14-tetrol, 5-(3-Chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) C24H31ClO7 466.175831 NA MeJP NA NA +MJ068660 Lanproston C24H31ClO7 466.175831 NA MeJP NA NA +MJ068661 Tecomaquinone II C30H26O5 466.178023 NA MeJP NA NA +MJ068662 Chlornaltrexamine C24H32Cl2N2O3 466.178998 NA MeJP NA NA +PJ002031 GNNY C19H26N6O8 466.1812 NA PeJP NA NA +MJ068663 1,4-Dihydroxy-3-(3-hydroxy-3-methylbutyl)-2-napthalenecarboxylic acid; Me ester, 4-O-?-D-glucopyranoside C23H30O10 466.183897 NA MeJP NA NA +MJ068664 1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4,4'-Tri-Me ether, 5-O-?-D-glucopyranoside C23H30O10 466.183897 NA MeJP NA NA +MJ068665 3,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-Ac, 3-O-?-D-glucopyranoside C23H30O10 466.183897 NA MeJP NA NA +MJ068666 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-Ac, 3-O-?-D-glucopyranoside C23H30O10 466.183897 NA MeJP NA NA +MJ068667 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Dihydroxy-2-methylbutanoyl), 9-Ac, Me ester C23H30O10 466.183897 NA MeJP NA NA +MJ068668 Helmanticin; 1-Deangeloyl, 1-Ac C23H30O10 466.183897 NA MeJP NA NA +MJ068669 Helmanticin; 3'-Deangeloyl, 3'-Ac C23H30O10 466.183897 NA MeJP NA NA +MJ068670 Plagiochiline G; 10-Epimer, Ac C23H30O10 466.183897 NA MeJP NA NA +MJ068671 Plagiochiline G; Ac C23H30O10 466.183897 NA MeJP NA NA +PJ002032 DFW C24H26N4O6 466.1853 NA PeJP NA NA +PJ002033 GPMY C21H30N4O6S 466.1886 NA PeJP NA NA +MJ068672 Asterriquinone D; 2'-(1,1-Dimethyl-2-propenyl) C29H26N2O4 466.189257 NA MeJP NA NA +MJ068673 Asterriquinone D; 7'-(3-Methyl-2-butenyl) C29H26N2O4 466.189257 NA MeJP NA NA +MJ068674 Asterriquinone D; N-(1,1-Dimethyl-2-propenyl) C29H26N2O4 466.189257 NA MeJP NA NA +PJ002034 SVMM C18H34N4O6S2 466.192 NA PeJP NA NA +MJ068675 Clobetasol; 17-Propanoyl C25H32ClFO5 466.19223 NA MeJP NA NA +PJ002035 SSHH C18H26N8O7 466.1925 NA PeJP NA NA +MJ068676 Agrochelin C23H34N2O4S2 466.195998 NA MeJP NA NA +FLIAAANF0006 Eriotriochin C27H30O7 466.19915 128585-07-9 knapsack NA NA +FLIAAINI0001 Pumilaisoflavone C;5,7,4'-Trihydroxy-3',5'-dimethoxy-6,2'-diprenylisoflavone C27H30O7 466.19915 122221-90-3 knapsack NA NA +MJ068677 3',4',5',6,8-Pentahydroxy-2',7-diprenylisoflavone; 3',5'-Di-Me ether C27H30O7 466.199153 NA MeJP NA NA +MJ068678 Euchrenone b10; 1''-O-(2-Hydroxyethyl) C27H30O7 466.199153 NA MeJP NA NA +MJ068679 Nimbolide C27H30O7 466.199153 NA MeJP NA NA +MJ068680 Territrem C; 3',5'-Bis(demethoxy), 4'-Me ether C27H30O7 466.199153 NA MeJP NA NA +MJ068681 Staurosporine C28H26N4O3 466.20049 NA MeJP NA NA +MetaCyc03650 staurosporine [STP;] C28H26N4O3 466.200491 NA metacyc NA NA +C02079 Staurosporine C28H26N4O3 466.2005 NA KEGG NA NA +MJ068682 Fukinolidiol; 1-(3-Methylsulfinyl-2-propenoyl)(R,Z-), 9-(3-methylbutanoyl) C24H34O7S 466.202524 NA MeJP NA NA +MJ068683 Ustiloxin F C21H30N4O8 466.206363 NA MeJP NA NA +PJ002036 GVEY C21H30N4O8 466.2064 NA PeJP NA NA +MJ068684 Bis(3-oxoundecyl) tetrasulfide C22H42O2S4 466.206763 NA MeJP NA NA +3487 ACE inhibitor from sake lees VWY 466.21 ACE inhibitor Inhouse_peptide NA peptide +MJ068685 Bervastatin C28H31FO5 466.215552 NA MeJP NA NA +PJ002037 ERY C20H30N6O7 466.2176 NA PeJP NA NA +MJ068686 1,2,5,12,14-Pentahydroxy-13(15)-cassen-16,12-olide, 1,2-Di-Ac C24H34O9 466.220282 NA MeJP NA NA +MJ068687 1,2,5,7,12-Pentahydroxy-13(15)-cassen-16,12-olide, 1,2-Di-Ac C24H34O9 466.220282 NA MeJP NA NA +MJ068688 2,19:4,18:11,16:15,16-Tetraepoxy-6,15,19-clerodanetriol, 6,19-Di-Ac C24H34O9 466.220282 NA MeJP NA NA +MJ068689 2,5-Epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide, 6-Angeloyl, 9-(2-methylpropanoyl) C24H34O9 466.220282 NA MeJP NA NA +MJ068690 2,6,9,10-Tetrahydroxy-5-oxo-11(13)-germacren-12,8-olide, 9-Angeloyl, 6-(2-methylpropanoyl) C24H34O9 466.220282 NA MeJP NA NA +MJ068691 2,8,10,11-Tetrahydroxy-3-guaien-12,6-olide, 8-(2-Methylbutanoyl), 10,11-di-Ac C24H34O9 466.220282 NA MeJP NA NA +MJ068692 2,8,9,11,12-Pentahydroxy-5,13-briaradien-18,7-olide; 2,9-Di-Ac C24H34O9 466.220282 NA MeJP NA NA +MJ068693 2,8,9,14-Tetrahydroxy-5,11-briaradien-18,7-olide, 11?,12?-Epoxide, 2,14-di-Ac C24H34O9 466.220282 NA MeJP NA NA +MJ068694 3,8,9,10-Tetrahydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl), 3,9-di-Ac C24H34O9 466.220282 NA MeJP NA NA +MJ068695 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 6,19-Di-Ac C24H34O9 466.220282 NA MeJP NA NA +MJ068696 8,17-Epoxy-2,9,12,14-tetrahydroxy-5-briaren-18,7-olide; 2,14-Di-Ac C24H34O9 466.220282 NA MeJP NA NA +MJ068697 Neosolaniol; 8-Pentanoyl C24H34O9 466.220282 NA MeJP NA NA +MJ068698 T2 Toxin C24H34O9 466.220282 NA MeJP NA NA +C09738 T-2 Toxin C24H34O9 466.2203 NA KEGG NA NA +PJ002038 VYW C25H30N4O5 466.2216 NA PeJP NA NA +MJ068699 Monodontamide B; 21-Demethoxy, 22-deoxy C25H30N4O5 466.22162 NA MeJP NA NA +PJ002039 GLMF C22H34N4O5S 466.225 NA PeJP NA NA +HMDB01054 Dolichyl b-D-glucosyl phosphate C21H39O9P 466.233154 NA HMDB2010 NA NA +HMDB01054 Dolichyl b-D-glucosyl phosphate C21H39O9P 466.23318 http://www.hmdb.ca/metabolites/HMDB01054 HMDB NA NA +HMDB01054 Dolichyl b-D-glucosyl phosphate C21H39O9P 466.23318 HMDB01054 PFEM_hmdb_metabocards_official NA NA +MJ068700 18,20-Epoxy-4,18-dihydroxy-1-oxowitha-2,5,24-trienolide, 18-Oxo (lactone) C28H34O6 466.235538 NA MeJP NA NA +MJ068701 2,3,22-Trihydroxy-24,29-dinor-6,21-dioxo-1,3,5(10),7-friedelatetraen-23-al; 22?-form C28H34O6 466.235538 NA MeJP NA NA +MJ068702 Azadironolide; 23-Deoxy, 16-oxo C28H34O6 466.235538 NA MeJP NA NA +MJ068703 Fissistin C28H34O6 466.235538 NA MeJP NA NA +MJ068704 Isofissistin C28H34O6 466.235538 NA MeJP NA NA +MJ068705 Nicandrenone C28H34O6 466.235538 NA MeJP NA NA +MJ068706 Nicaphysalin E C28H34O6 466.235538 NA MeJP NA NA +MJ068707 Nimbocinol; 14?,15?-Epoxide, Ac C28H34O6 466.235538 NA MeJP NA NA +MJ068708 Nimbocinol; 17-Epimer, 17-hydroxy, 7-Ac C28H34O6 466.235538 NA MeJP NA NA +MJ068709 Nimbocinol; 17-Hydroxy, 7-Ac C28H34O6 466.235538 NA MeJP NA NA +MJ068710 Proceranone C28H34O6 466.235538 NA MeJP NA NA +MJ068711 Salpichrolide A; 15-Hydroxy C28H34O6 466.235538 NA MeJP NA NA +MJ068712 Withaphysalin A C28H34O6 466.235538 NA MeJP NA NA +MJ068713 Withaphysalin D C28H34O6 466.235538 NA MeJP NA NA +MJ068714 4-[3-[4-(Diphenylmethyl)-1-piperazinyl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile C29H30N4O2 466.236876 NA MeJP NA NA +PJ002040 ATLY C22H34N4O7 466.2428 NA PeJP NA NA +MJ068715 Cylindramide C27H34N2O5 466.246772 NA MeJP NA NA +MJ068716 Minovincinine, 11-Methoxy, O-(3-Methyl-2-butenoyl) C27H34N2O5 466.246772 NA MeJP NA NA +MJ068717 Trefentanil C25H31FN6O2 466.249252 NA MeJP NA NA +PJ002041 PTLH C21H34N6O6 466.254 NA PeJP NA NA +EUR456 Dehydrotestosterone glucuronide F1 NA 466.254675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR456 Dehydrotestosterone glucuronide F1 NA 466.254675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR456 Dehydrotestosterone glucuronide F1 NA 466.254675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR456 Dehydrotestosterone glucuronide F1 NA 466.254675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR456 Dehydrotestosterone glucuronide F1 NA 466.254675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR456 Dehydrotestosterone glucuronide F1 NA 466.254675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR456 Dehydrotestosterone glucuronide F1 NA 466.254675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR456 Dehydrotestosterone glucuronide F1 NA 466.254675 standards wishlist analysés sur QTOF HMDB NA NA +EUR456 Dehydrotestosterone glucuronide F1 NA 466.254675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR456 Dehydrotestosterone glucuronide F1 NA 466.254675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR456 Dehydrotestosterone glucuronide F1 NA 466.254675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR456 Dehydrotestosterone glucuronide F1 NA 466.254675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0807 Androsterone glucuronide [(M+H)]+ C25H39O8 466.256075 C18rt(min)=8.7 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0807 Androsterone glucuronide [(M+H)]+ C25H39O8 466.256075 C18rt(min)=8.7 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +HMDB02829 Androsterone glucuronide C25H38O8 466.256653 NA HMDB2010 NA NA +HMDB04484 Etiocholanolone glucuronide C25H38O8 466.256653 NA HMDB2010 NA NA +HMDB06203 5-alpha-Dihydrotestosterone glucuronide C25H38O8 466.256653 NA HMDB2010 NA NA +HMDB10365 3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide C25H38O8 466.256653 NA HMDB2010 NA NA +MJ068718 1,2,11-Trihydroxy-12-oxo-7-drimen-15,11-olide, 1-O-(2-Hydroxydecanoyl) C25H38O8 466.256668 NA MeJP NA NA +MJ068719 1,2,11-Trihydroxy-12-oxo-7-drimen-15,11-olide, 2-O-(2R-Hydroxydecanoyl) C25H38O8 466.256668 NA MeJP NA NA +MJ068720 1,2,11-Trihydroxy-12-oxo-7-drimen-15,11-olide, 1-O-(2-Hydroxydecanoyl) C25H38O8 466.256668 NA MeJP NA NA +MJ068721 1,2,11-Trihydroxy-12-oxo-7-drimen-15,11-olide, 2-O-(2R-Hydroxydecanoyl) C25H38O8 466.256668 NA MeJP NA NA +MJ068722 10(20)-Grayanotoxene-3,5,6,7,14,16-hexol, 6(14)-Propanoyl, 14(6)-Ac C25H38O8 466.256668 NA MeJP NA NA +MJ068723 3-Hydroxyandrostan-17-one, 3-(?-D-Glucuronopyranoside) C25H38O8 466.256668 NA MeJP NA NA +MJ068724 4,18:11,16:15,16-Triepoxy-6,15,19-clerodanetriol, 15-Me ether, 6,19-di-Ac C25H38O8 466.256668 NA MeJP NA NA +MJ068725 6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 6,9-Bis(2-methylbutanoyl) C25H38O8 466.256668 NA MeJP NA NA +MJ068726 Pregn-5-ene-3,8,11,12,14,20-hexol, 11,12-Di-Ac C25H38O8 466.256668 NA MeJP NA NA +MJ068727 Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Di-Ac C25H38O8 466.256668 NA MeJP NA NA +EUR089 Androsterone glucuronide C25H38O8 466.25667 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR090 DihydrotestosteroneGlucuronide C25H38O8 466.25667 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR089 Androsterone glucuronide C25H38O8 466.25667 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR090 DihydrotestosteroneGlucuronide C25H38O8 466.25667 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR089 Androsterone glucuronide C25H38O8 466.25667 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR090 DihydrotestosteroneGlucuronide C25H38O8 466.25667 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR089 Androsterone glucuronide C25H38O8 466.25667 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR090 DihydrotestosteroneGlucuronide C25H38O8 466.25667 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR089 Androsterone glucuronide C25H38O8 466.25667 Wishlist HMDB NA NA +EUR090 DihydrotestosteroneGlucuronide C25H38O8 466.25667 Wishlist HMDB NA NA +EUR089 Androsterone glucuronide C25H38O8 466.25667 Wishlist Inhouse_PFEM NA NA +EUR090 DihydrotestosteroneGlucuronide C25H38O8 466.25667 Wishlist Inhouse_PFEM NA NA +EUR089 Androsterone glucuronide C25H38O8 466.25667 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR090 DihydrotestosteroneGlucuronide C25H38O8 466.25667 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR089 Androsterone glucuronide C25H38O8 466.25667 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR090 DihydrotestosteroneGlucuronide C25H38O8 466.25667 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB02829 Androsterone glucuronide C25H38O8 466.25668 http://www.hmdb.ca/metabolites/HMDB02829 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06203 5alpha-Dihydrotestosterone glucuronide C25H38O8 466.25668 http://www.hmdb.ca/metabolites/HMDB06203 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02829 Androsterone glucuronide C25H38O8 466.25668 http://www.hmdb.ca/metabolites/HMDB02829 HMDB NA NA +HMDB04484 Etiocholanolone glucuronide C25H38O8 466.25668 http://www.hmdb.ca/metabolites/HMDB04484 HMDB NA NA +HMDB06203 5alpha-Dihydrotestosterone glucuronide C25H38O8 466.25668 http://www.hmdb.ca/metabolites/HMDB06203 HMDB NA NA +HMDB02829 Androsterone glucuronide C25H38O8 466.25668 http://www.hmdb.ca/metabolites/HMDB02829 PFEM_hmdb_metabocards_blood NA blood +HMDB06203 5alpha-Dihydrotestosterone glucuronide C25H38O8 466.25668 http://www.hmdb.ca/metabolites/HMDB06203 PFEM_hmdb_metabocards_blood NA blood +HMDB02829 Androsterone glucuronide C25H38O8 466.25668 HMDB02829 PFEM_hmdb_metabocards_official NA NA +HMDB04484 Etiocholanolone glucuronide C25H38O8 466.25668 HMDB04484 PFEM_hmdb_metabocards_official NA NA +HMDB06203 5alpha-Dihydrotestosterone glucuronide C25H38O8 466.25668 HMDB06203 PFEM_hmdb_metabocards_official NA NA +EUR089 Androsterone glucuronide C25H38O8 466.2567 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR090 DihydrotestosteroneGlucuronide C25H38O8 466.2567 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR089 Androsterone glucuronide C25H38O8 466.2567 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR090 DihydrotestosteroneGlucuronide C25H38O8 466.2567 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR089 Androsterone glucuronide C25H38O8 466.2567 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR090 DihydrotestosteroneGlucuronide C25H38O8 466.2567 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR089 Androsterone glucuronide C25H38O8 466.2567 Wishlist Inhousejuil11 NA NA +EUR090 DihydrotestosteroneGlucuronide C25H38O8 466.2567 Wishlist Inhousejuil11 NA NA +C11135 Androsterone glucuronide C25H38O8 466.2567 NA KEGG NA NA +C11136 Etiocholan-3alpha-ol-17-one 3-glucuronide C25H38O8 466.2567 NA KEGG NA NA +C11137 [Dihydroxymethylglutaryl-CoA reductase (NADPH)] C25H38O8 466.2567 NA KEGG NA NA +C11139 [Dihydroxymethylglutaryl-CoA reductase (NADPH)] phosphate C25H38O8 466.2567 NA KEGG NA NA +CJneg0619 Androsterone glucuronide [(M-H)]- C25H37O8 466.257225 C18rt(min)=8.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0619 Androsterone glucuronide [(M-H)]- C25H37O8 466.257225 C18rt(min)=8.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +EUR450 Androsterone glucuronide F1 NA 466.263475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR450 Androsterone glucuronide F1 NA 466.263475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR450 Androsterone glucuronide F1 NA 466.263475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR450 Androsterone glucuronide F1 NA 466.263475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR450 Androsterone glucuronide F1 NA 466.263475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR450 Androsterone glucuronide F1 NA 466.263475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR450 Androsterone glucuronide F1 NA 466.263475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR450 Androsterone glucuronide F1 NA 466.263475 standards wishlist analysés sur QTOF HMDB NA NA +EUR450 Androsterone glucuronide F1 NA 466.263475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR450 Androsterone glucuronide F1 NA 466.263475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR450 Androsterone glucuronide F1 NA 466.263475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR450 Androsterone glucuronide F1 NA 466.263475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ068728 1,3,8,10-Tetrahydroxy-6-methyl-9(10H)-anthracenone, 3-Deoxy, 10-tetradecanoyl C29H38O5 466.271924 NA MeJP NA NA +MJ068729 2,3,22,23-Tetrahydroxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione; 22?-form, 22-Deoxy, 3-Me ether C29H38O5 466.271924 NA MeJP NA NA +MJ068730 2,3,22-Trihydroxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione; 22?-form, 3-Me ether C29H38O5 466.271924 NA MeJP NA NA +MJ068731 2,3-Dihydroxy-24-nor-6-oxo-1,3,5(10),7-friedelatetraen-29-oic acid C29H38O5 466.271924 NA MeJP NA NA +MJ068732 2,3-Dihydroxy-6-oxo-23,24-dinor-1,3,5(10),7-friedelatetraen-29-oic acid; Me ester C29H38O5 466.271924 NA MeJP NA NA +MJ068733 O-(3-Hydroxy-8(12)-drimen-11-yl)umbelliferone, O-(3-Methylbutanoyl) C29H38O5 466.271924 NA MeJP NA NA +MJ068734 Pfaffic acid; 7,11-Dioxo, 3-ketone C29H38O5 466.271924 NA MeJP NA NA +MJ068735 Alkaloid C2 C30H34N4O 466.273261 NA MeJP NA NA +MJ068736 Rauwolfia obscura Alkaloid D1 C30H34N4O 466.273261 NA MeJP NA NA +MJ068737 Usambarensine; 10-Methoxy, 1'R,2',3',4'-tetrahydro C30H34N4O 466.273261 NA MeJP NA NA +MJ068738 Usambarensine; 10-Methoxy, 1'S,2',3',4'-tetrahydro C30H34N4O 466.273261 NA MeJP NA NA +MJ068739 Usambarine; 10-Hydroxy C30H34N4O 466.273261 NA MeJP NA NA +MJ068740 Usambarine; 10-Methoxy, N-de-Me C30H34N4O 466.273261 NA MeJP NA NA +MJ068741 Usambarine; 11-Hydroxy C30H34N4O 466.273261 NA MeJP NA NA +MJ068742 uwolfia obscura Alkaloid C2 C30H34N4O 466.273261 NA MeJP NA NA +MJ068743 Cephaeline C28H38N2O4 466.283157 NA MeJP NA NA +MJ068744 Febuverine C28H38N2O4 466.283157 NA MeJP NA NA +C09390 Cephaeline C28H38N2O4 466.2832 NA KEGG NA NA +MJ068745 Nephila clavata Neurotoxin 1 JSTX-1 C22H38N6O5 466.290368 NA MeJP NA NA +PJ002042 VVLH C22H38N6O5 466.2904 NA PeJP NA NA +MJ068746 16-Kaurene-2,13-diol, 2-O-?-D-Glucopyranoside C26H42O7 466.293053 NA MeJP NA NA +MJ068747 16-Kaurene-2,15-diol, 2-O-?-D-Glucopyranoside C26H42O7 466.293053 NA MeJP NA NA +MJ068748 3,7-Dolabelladiene-2,16,18-triol, 16-(3-Hydroxy-3-methylglutaryl) C26H42O7 466.293053 NA MeJP NA NA +MJ068749 3-Clerodene-7,15,16,18-tetrol, 15,16,18-Tri-Ac C26H42O7 466.293053 NA MeJP NA NA +MJ068750 3-Eudesmen-11-ol, O-(6-O-Tigloyl-?-D-glucopyranoside) C26H42O7 466.293053 NA MeJP NA NA +MJ068751 6,13-Epoxy-4(18)-eunicellene-3,8,9,12-tetrol, 12-Butanoyl, 3-Ac C26H42O7 466.293053 NA MeJP NA NA +MJ068752 6,13-Epoxy-4(18)-eunicellene-3,8,9,12-tetrol, 12-Butanoyl, 9-Ac C26H42O7 466.293053 NA MeJP NA NA +MJ068753 7,15-Isopimaradiene-3,19-diol, 19-O-?-D-Altropyranoside C26H42O7 466.293053 NA MeJP NA NA +MJ068754 Pregn-5-ene-3,14,20-triol, 20-O-?-D-Arabinopyranoside C26H42O7 466.293053 NA MeJP NA NA +MJ068755 Pregn-5-ene-3,8,12,14,17,20-hexol, 20-(3-Methylbutanoyl) C26H42O7 466.293053 NA MeJP NA NA +MJ068756 5-(12-Cytisinylmethyl)-6-hydroxylupanine C27H38N4O3 466.294391 NA MeJP NA NA +MJ068757 1,12,18,29-Triacontatetrayne-3,14,17,28-tetrol, 14,17-Diketone C30H42O4 466.308309 NA MeJP NA NA +MJ068758 13(16),14-Labdadiene-8,19-diol; 8?-form, 19-(4-Methoxycinnamoyl)(E-) C30H42O4 466.308309 NA MeJP NA NA +MJ068759 16,23-Epoxy-3-oxolanosta-7,24-dien-26,23-olide C30H42O4 466.308309 NA MeJP NA NA +MJ068760 24-Hydroxy-3-oxocycloarta-1,11,25-trien-21-oic acid C30H42O4 466.308309 NA MeJP NA NA +MJ068761 3,21-Dihydroxy-11,13(18)-oleanadien-28-oic acid, 3,21-Diketone C30H42O4 466.308309 NA MeJP NA NA +MJ068762 3,21-Dioxo-9(11),12-oleanadien-28-oic acid C30H42O4 466.308309 NA MeJP NA NA +MJ068763 3-Hydroxy-12-oxo-13,15,17(20),22,24-malabaricapentaen-28-oic acid C30H42O4 466.308309 NA MeJP NA NA +MJ068764 6,16-Dihydroxy-3-oxoeupha-7,24-dien-21-oic acid, 6-Ketone, (21?16)-lactone C30H42O4 466.308309 NA MeJP NA NA +MJ068765 Aquaticenol C30H42O4 466.308309 NA MeJP NA NA +MJ068766 Dysonone B; 7-Ketone, 1,2-didehydro C30H42O4 466.308309 NA MeJP NA NA +MJ068767 Firmanolide C30H42O4 466.308309 NA MeJP NA NA +MJ068768 Isomariesiic acid C C30H42O4 466.308309 NA MeJP NA NA +MJ068769 Isoperdione C30H42O4 466.308309 NA MeJP NA NA +MJ068770 Mariesiic acid C C30H42O4 466.308309 NA MeJP NA NA +MJ068771 Mastigophorene A C30H42O4 466.308309 NA MeJP NA NA +MJ068772 Mastigophorene C C30H42O4 466.308309 NA MeJP NA NA +MJ068773 Mastigophorene D C30H42O4 466.308309 NA MeJP NA NA +MJ068774 Peradione C30H42O4 466.308309 NA MeJP NA NA +MJ068775 Pseudolarifuroic acid C30H42O4 466.308309 NA MeJP NA NA +MJ068776 Pseudolarolide A; 24,25-Didehydro C30H42O4 466.308309 NA MeJP NA NA +MJ068777 Salvadione A C30H42O4 466.308309 NA MeJP NA NA +MJ068778 Schisanlactone B C30H42O4 466.308309 NA MeJP NA NA +MJ068779 Taiwaniadduct A C30H42O4 466.308309 NA MeJP NA NA +MJ068780 Buterizine C31H38N4 466.309647 NA MeJP NA NA +HMDB00653 Cholesterol sulfate C27H46O4S 466.311676 NA HMDB2010 NA NA +HMDB00653 Cholesterol sulfate C27H46O4S 466.31168 http://www.hmdb.ca/metabolites/HMDB00653 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00653 Cholesterol sulfate C27H46O4S 466.31168 http://www.hmdb.ca/metabolites/HMDB00653 HMDB NA NA +HMDB00653 Cholesterol sulfate C27H46O4S 466.31168 http://www.hmdb.ca/metabolites/HMDB00653 PFEM_hmdb_metabocards_blood NA blood +HMDB00653 Cholesterol sulfate C27H46O4S 466.31168 HMDB00653 PFEM_hmdb_metabocards_official NA NA +C18043 Cholesterol sulfate C27H46O4S 466.3117 NA KEGG NA NA +CJpos0808 Glycocholic acid [M+H]+ (13C) C25[13]CH44O6N 466.311875 C18rt(min)=8.43 Pos identified a,c banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0808 Glycocholic acid [M+H]+ (13C) C25[13]CH44O6N 466.311875 C18rt(min)=8.43 Pos identified a,c base_CJunot_PubAnalChem2012_POS positive NA +CJneg0620 Glycocholic acid [M-H]- (13C) C25[13]CH42O6N 466.312925 C18rt(min)=8.43 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0620 Glycocholic acid [M-H]- (13C) C25[13]CH42O6N 466.312925 C18rt(min)=8.43 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ068781 2,3,14,22,25-Pentahydroxycholestan-6-one C27H46O6 466.329439 NA MeJP NA NA +MJ068782 2,3,7,12-Tetrahydroxycholestan-26-oic acid C27H46O6 466.329439 NA MeJP NA NA +MJ068783 28-Norbrassinolide C27H46O6 466.329439 NA MeJP NA NA +MJ068784 3,12,15,22-Tetrahydroxycholestan-26-oic acid C27H46O6 466.329439 NA MeJP NA NA +MJ068785 3,7,12,24-Tetrahydroxycholestan-26-oic acid C27H46O6 466.329439 NA MeJP NA NA +MJ068786 3,7,12,27-Tetrahydroxycholestan-26-oic acid C27H46O6 466.329439 NA MeJP NA NA +MJ068787 Cholest-22-ene-3,4,6,8,15,24-hexol C27H46O6 466.329439 NA MeJP NA NA +MJ068788 Cholest-22-ene-3,5,6,15,25,26-hexol C27H46O6 466.329439 NA MeJP NA NA +MJ068789 Cholest-24-ene-3,6,8,14,15,26-hexol C27H46O6 466.329439 NA MeJP NA NA +MJ068790 Cholest-7-ene-2,3,5,6,9,11-hexol C27H46O6 466.329439 NA MeJP NA NA +MJ068791 Cholestane-3,6,8,15,16,26-hexol, 22,23-Didehydro (E-) C27H46O6 466.329439 NA MeJP NA NA +MJ068792 Furostane-2,3,6,22,26-pentol C27H46O6 466.329439 NA MeJP NA NA +MJ068793 Tetrahydroxynorsterocholanic acid C27H46O6 466.329439 NA MeJP NA NA +MJ068794 Vitamin K epoxide C31H46O3 466.344695 NA MeJP NA NA +MJ068795 3-Hydroxy-24-methylene-7,9(11)-lanostadien-21-oic acid, 3-Ketone C31H46O3 466.344695 NA MeJP NA NA +MJ068796 3-Hydroxylanosta-7,9(11),24-trien-26,23-olide, Me ether C31H46O3 466.344695 NA MeJP NA NA +MJ068797 Disidein C31H46O3 466.344695 NA MeJP NA NA +MJ068798 Toxistylide B C31H46O3 466.344695 NA MeJP NA NA +MJ068799 Vitamin K1 epoxide C31H46O3 466.344695 NA MeJP NA NA +MetaCyc03651 vitamin K 2,3-epoxide [2,3-epoxyphylloquinone;2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone;] C31H46O3 466.344695 NA metacyc NA NA +HMDB02972 Vitamin K1 2,3-epoxide C31H46O3 466.344696 NA HMDB2010 NA NA +HMDB02972 Vitamin K1 2,3-epoxide C31H46O3 466.3447 http://www.hmdb.ca/metabolites/HMDB02972 HMDB NA NA +C05849 Vitamin K1 epoxide C31H46O3 466.3447 NA KEGG NA NA +C05850 Reduced Vitamin K C11H9O2R 466.3447 NA KEGG NA NA +HMDB02972 Vitamin K1 2,3-epoxide C31H46O3 466.3447 HMDB02972 PFEM_hmdb_metabocards_official NA NA +HMDB12082 LysoSM(d18:0) C23H51N2O5P 466.353546 NA HMDB2010 NA NA +MJ068800 3,20-Diaminopregnan-4-ol, N20,N20-Di-Me, N3-benzoyl C30H46N2O2 466.355928 NA MeJP NA NA +MJ068801 Crambescin C2 C24H46N6O3 466.363139 NA MeJP NA NA +C15803 6alpha-Hydroxy-castasterone C28H50O5 466.3658 NA KEGG NA NA +C15804 p-Hydroxyphenyl lignin C28H50O5 466.3658 NA KEGG NA NA +C15805 Guaiacyl lignin C28H50O5 466.3658 NA KEGG NA NA +C15806 Syringyl lignin C28H50O5 466.3658 NA KEGG NA NA +C15807 5-Hydroxy-guaiacyl lignin C28H50O5 466.3658 NA KEGG NA NA +MJ068802 3,5,7-Trioxooctacosanoic acid C28H50O5 466.365824 NA MeJP NA NA +MJ068803 Ergostane-2,3,6,22,23-pentol C28H50O5 466.365824 NA MeJP NA NA +MJ068804 Ergostane-3,5,6,25,26-pentol C28H50O5 466.365824 NA MeJP NA NA +MJ068805 Ergostane-3,5,6,7,15-pentol C28H50O5 466.365824 NA MeJP NA NA +MetaCyc03652 6α-hydroxy-castasterone [hydroxydeoxocastasterone;6α-hydroxy-6-deoxocastasterone;] C28H50O5 466.365825 NA metacyc NA NA +MJ068806 11,13(18)-Oleanadien-3-ol, 3-Ac C32H50O2 466.38108 NA MeJP NA NA +MJ068807 12,20(30)-Ursadien-3-ol, Ac C32H50O2 466.38108 NA MeJP NA NA +MJ068808 12,20(30)-Ursadien-7-ol; 7?-form, Ac C32H50O2 466.38108 NA MeJP NA NA +MJ068809 13(18),19,29-Ursadien-3-ol; 3?-form, Ac C32H50O2 466.38108 NA MeJP NA NA +MJ068810 13(18),20(29)-Lupadien-9-ol; 9?-form, Ac C32H50O2 466.38108 NA MeJP NA NA +MJ068811 5,12-Ursadien-3-ol, Ac C32H50O2 466.38108 NA MeJP NA NA +MJ068812 5,20(29)-Lupadien-3-ol, Ac C32H50O2 466.38108 NA MeJP NA NA +MJ068813 7,9(11)-Fernadien-20-ol; 20?-form, Ac C32H50O2 466.38108 NA MeJP NA NA +MJ068814 9(11),12-Oleanadien-3-ol, 3-Ac C32H50O2 466.38108 NA MeJP NA NA +MJ068815 9(11),12-Ursadien-3-ol, Ac C32H50O2 466.38108 NA MeJP NA NA +MJ068816 Plakinamine A; 3-Epimer, 4?-hydroxy, N3-di-Me C31H50N2O 466.392314 NA MeJP NA NA +MJ068817 Saraine 1 C31H50N2O 466.392314 NA MeJP NA NA +MJ068818 Sarothamnine C30H50N4 466.403547 NA MeJP NA NA +MJ068819 Arenosclerin A; Deoxy C32H54N2 466.428699 NA MeJP NA NA +MJ068820 11-Hydroxytriacontanoic acid; 11-Ketone C30H58O3 466.438595 NA MeJP NA NA +MJ068821 11-Hydroxytriacontanoic acid; Ketone C30H58O3 466.438595 NA MeJP NA NA +MJ068822 12-Hydroxy-4,7-triacontanedione C30H58O3 466.438595 NA MeJP NA NA +MJ068823 5-Oxooctadecanoic acid; Dodecyl ester C30H58O3 466.438595 NA MeJP NA NA +MJ068824 2,3,7,10,15,18,22,23-Octamethyl-6,19-dimethylene-1,10,14,23-tetracosatetraene C34H58 466.453851 NA MeJP NA NA +MJ068825 C34 Botryococcene C34H58 466.453851 NA MeJP NA NA +MJ068826 C34-Cyclobotryococcene C34H58 466.453851 NA MeJP NA NA +MJ068827 Budmunchiamine C; N9-De-Me C28H58N4O 466.461062 NA MeJP NA NA +MJ068828 10-Hydroxy-16-hentriacontanone C31H62O2 466.474981 NA MeJP NA NA +MJ068829 13-Hydroxy-16-hentriacontanone C31H62O2 466.474981 NA MeJP NA NA +MJ068830 29-Hydroxy-3,11-dimethyl-2-nonacosanone C31H62O2 466.474981 NA MeJP NA NA +MJ068831 8-Hydroxy-5-hentriacontanone C31H62O2 466.474981 NA MeJP NA NA +MJ068832 9-Hydroxy-3-hentriacontanone C31H62O2 466.474981 NA MeJP NA NA +MJ068833 Hentriacontanoic acid C31H62O2 466.474981 NA MeJP NA NA +MJ068834 1-Dotriacontanol C32H66O 466.511366 NA MeJP NA NA +MJ068835 1-Methoxy-2,18-dimethylnonacosane C32H66O 466.511366 NA MeJP NA NA +MJ068836 1-Methoxy-2,26-dimethylnonacosane C32H66O 466.511366 NA MeJP NA NA +MJ068837 1-Methoxy-28-methyltriacontane C32H66O 466.511366 NA MeJP NA NA +MJ068838 2-Dotriacontanol C32H66O 466.511366 NA MeJP NA NA +2604 tachykinin family from white shrimp Penaeus vannam APSGFLGMR~ 466.7362 MH2+ Inhouse_peptide NA peptide +3362 NA LKVGVKQY 466.775 MH2+ Inhouse_peptide NA peptide +3668 NA KKFDLRK 466.78095 MH2+ Inhouse_peptide NA peptide +HMDB00998 dCTP C9H16N3O13P3 466.98959 http://www.hmdb.ca/metabolites/HMDB00998 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00998 dCTP C9H16N3O13P3 466.98959 http://www.hmdb.ca/metabolites/HMDB00998 HMDB NA NA +HMDB00998 dCTP C9H16N3O13P3 466.98959 http://www.hmdb.ca/metabolites/HMDB00998 PFEM_hmdb_metabocards_blood NA blood +HMDB00998 dCTP C9H16N3O13P3 466.98959 HMDB00998 PFEM_hmdb_metabocards_official NA NA +HMDB00998 dCTP C9H16N3O13P3 466.989594 NA HMDB2010 NA NA +MJ068839 dCTP C9H16N3O13P3 466.989597 NA MeJP NA NA +MetaCyc03653 dCTP [2'-deoxycytidine-5'-triphosphate;deoxycytidine-triphosphate;deoxy-CTP;] C9H16N3O13P3 466.989597 2056-98-6 metacyc NA NA +C00458 dCTP C9H16N3O13P3 466.9896 NA KEGG NA NA +MJ068840 2-Hydroxyethyl glucosinolate; Benzoyl C16H21NO11S2 467.055601 NA MeJP NA NA +MJ068841 3-Hydroxy-5-(methylthio)pentyl glucosinolate; S-Oxide C13H25NO11S3 467.058972 NA MeJP NA NA +MJ068842 5-(Methylthio)pentyl glucosinolate; S,S-Dioxide C13H25NO11S3 467.058972 NA MeJP NA NA +MJ068843 N-[[5-[2-(2-Amino-4,6,7,8-tetrahydro-4-oxo-1H-pyrimido[5,4-b][1,4]thiazin-6-yl)ethyl]-2-thienyl]carbonyl]glutamic acid C18H21N5O6S2 467.093324 NA MeJP NA NA +MJ068844 Etipirium(1+); Iodide C21H26INO3 467.095737 NA MeJP NA NA +PJ002043 CCNE C15H25N5O8S2 467.1145 NA PeJP NA NA +MJ068845 Bepafant C23H22ClN5O2S 467.118273 NA MeJP NA NA +PJ002044 GCCW C19H25N5O5S2 467.1297 NA PeJP NA NA +PJ002045 GSSCD C15H25N5O10S 467.1322 NA PeJP NA NA +MJ068846 Cloxacepride C22H27Cl2N3O4 467.137861 NA MeJP NA NA +MJ068847 (1,1-Cyclohexanedimethanamine-N,N')[ethylpropanedioato(2-)-O,O']platinum C13H24N2O4Pt 467.138381 NA MeJP NA NA +MJ068848 Antibiotic K 252b; Me ester C27H21N3O5 467.14812 NA MeJP NA NA +PJ002046 SCQM C16H29N5O7S2 467.1509 NA PeJP NA NA +PJ002047 SCCR C15H29N7O6S2 467.1621 NA PeJP NA NA +PJ002048 GNDY C19H25N5O9 467.1652 NA PeJP NA NA +PJ002049 GGGDY C19H25N5O9 467.1653 NA PeJP NA NA +PJ002050 GSSSM C16H29N5O9S 467.1686 NA PeJP NA NA +PJ002051 GNMF C20H29N5O6S 467.1839 NA PeJP NA NA +PJ002052 SSSST C16H29N5O11 467.1864 NA PeJP NA NA +PJ002053 SCKM C17H33N5O6S2 467.1872 NA PeJP NA NA +MJ068849 Edatrexate C22H25N7O5 467.191716 NA MeJP NA NA +PJ002054 GTQY C20H29N5O8 467.2016 NA PeJP NA NA +MJ068850 Distamycin A; N1'-De-Me C21H25N9O4 467.20295 NA MeJP NA NA +PJ002055 SPQH C19H29N7O7 467.2129 NA PeJP NA NA +PJ002056 ACKF C21H33N5O5S 467.2203 NA PeJP NA NA +3268 NA TAQVTSTEV 467.223 MH2+ Inhouse_peptide NA peptide +MJ068851 Penigequinolone A C27H33NO6 467.230787 NA MeJP NA NA +MJ068852 Trideacetylpyripyropene A; 11-Epimer, 7,19-dideoxy,3-Ac C27H33NO6 467.230787 NA MeJP NA NA +MJ068853 Trideacetylpyripyropene A; 7,19-Dideoxy, 3-Ac C27H33NO6 467.230787 NA MeJP NA NA +3334 human beta-casein fr, 54-61 QTQSLVYP 467.231 MH2+ Inhouse_peptide NA peptide +7771 PKC inhibitor HKPS 467.236 antioxidative Inhouse_peptide NA peptide +7809 ACE inhibitor from porcine plasma GVHGV 467.236 ACE inhibitor Inhouse_peptide NA peptide +PJ002057 GTKY C21H33N5O7 467.238 NA PeJP NA NA +PJ002058 SPKH C20H33N7O6 467.2493 NA PeJP NA NA +MJ068854 Browniine; N-De-Et, N-formyl C24H37NO8 467.251917 NA MeJP NA NA +MJ068855 Lycoctonine; N-De-Et, N-formyl C24H37NO8 467.251917 NA MeJP NA NA +C00397 Tobramycin C18H37N5O9 467.2591 NA KEGG NA NA +MJ068856 Nebmycin T C18H37N5O9 467.259127 NA MeJP NA NA +MJ068857 Tobramycin C18H37N5O9 467.259127 NA MeJP NA NA +8065 synthetic peptide RHR 467.26 ACE inhibitor Inhouse_peptide NA peptide +PJ002059 GVHR C19H33N9O5 467.2605 NA PeJP NA NA +CJneg0621 Androsterone glucuronide [(M-H)]- (13C) C2413CH37O8 467.260525 C18rt(min)=8.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0621 Androsterone glucuronide [(M-H)]- (13C) C2413CH37O8 467.260525 C18rt(min)=8.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ068858 18-Hydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6,13,19-triene-1,21-dione; 19,20-Dihydro, 19?-hydroxy, 6?,7?-epoxide C28H37NO5 467.267173 NA MeJP NA NA +MJ068859 7,18,19-Trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(12),13-diene-1,21-dione C28H37NO5 467.267173 NA MeJP NA NA +MJ068860 Lythranidine, O11-Ac C28H37NO5 467.267173 NA MeJP NA NA +PJ002060 HRR C18H33N11O4 467.2717 NA PeJP NA NA +PJ002061 AAPPL C22H37N5O6 467.2744 NA PeJP NA NA +MJ068861 Malyngamide L C26H42ClNO4 467.280236 NA MeJP NA NA +PJ002062 PPVR C21H37N7O5 467.2856 NA PeJP NA NA +C08665 Browniine C25H41NO7 467.2883 NA KEGG NA NA +C08678 Delsoline C25H41NO7 467.2883 NA KEGG NA NA +C08697 Lycoctonine C25H41NO7 467.2883 NA KEGG NA NA +MJ068862 4-Methylaconitane-1,3,6,8,14,16,18-heptol, O1,O6,O16,O18-Tetra-Me, N-Et C25H41NO7 467.288302 NA MeJP NA NA +MJ068863 Browniine C25H41NO7 467.288302 NA MeJP NA NA +MJ068864 Delphatine; O16-De-Me C25H41NO7 467.288302 NA MeJP NA NA +MJ068865 Delphatine; O6-De-Me C25H41NO7 467.288302 NA MeJP NA NA +MJ068866 Delsoline C25H41NO7 467.288302 NA MeJP NA NA +MJ068867 Deltatsine C25H41NO7 467.288302 NA MeJP NA NA +MJ068868 Delterine C25H41NO7 467.288302 NA MeJP NA NA +MJ068869 Lycoctonine C25H41NO7 467.288302 NA MeJP NA NA +MJ068870 Pubescenine; O14-De-Ac, O14-Me C25H41NO7 467.288302 NA MeJP NA NA +MJ068871 Spermacoceine C31H37N3O 467.293662 NA MeJP NA NA +EUR563 LysoPC(14:0) NA 467.301175 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR563 LysoPC(14:0) [M+H]+ 467.301175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR563 LysoPC(14:0) NA 467.301175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR563 LysoPC(14:0) [M+H]+ 467.301175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR563 LysoPC(14:0) NA 467.301175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR563 LysoPC(14:0) [M+H]+ 467.301175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR563 LysoPC(14:0) NA 467.301175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR563 LysoPC(14:0) NA 467.301175 identifiés dans sérum NuGO HMDB NA NA +EUR563 LysoPC(14:0) NA 467.301175 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR563 LysoPC(14:0) [M+H]+ 467.301175 identifies dans serum NuGO Inhousejuil11 NA NA +EUR563 LysoPC(14:0) NA 467.301175 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR563 LysoPC(14:0) NA 467.301175 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +HMDB10379 LysoPC(14:0) C22H46NO7P 467.301178 NA HMDB2010 NA NA +HMDB00724 L-a-Lysophosphatidylcholine C22H46NO7P 467.30118 http://www.hmdb.ca/metabolites/HMDB00724 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00724 L-a-Lysophosphatidylcholine C22H46NO7P 467.30118 http://www.hmdb.ca/metabolites/HMDB00724 HMDB NA NA +HMDB00724 L-a-Lysophosphatidylcholine C22H46NO7P 467.30118 http://www.hmdb.ca/metabolites/HMDB00724 PFEM_hmdb_metabocards_blood NA blood +HMDB00724 L-a-Lysophosphatidylcholine C22H46NO7P 467.30118 HMDB00724 PFEM_hmdb_metabocards_official NA NA +EUR674 Lyso PC 14:0 monoisotopic mass C22H46NO7P 467.301192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR701 Lyso PE (18:0) [M-H-CH3]- C23H48NO7P 467.301192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR736 Lyso PC 15:0 [M-H-CH3]- C23H48NO7P 467.301192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR836 Lyso PE 18:0 [M-H-CH3]- C23H48NO7P 467.301192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR674 Lyso PC 14:0 monoisotopic mass C22H46NO7P 467.301192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR701 Lyso PE (18:0) [M-H-CH3]- C23H48NO7P 467.301192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR736 Lyso PC 15:0 [M-H-CH3]- C23H48NO7P 467.301192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR836 Lyso PE 18:0 [M-H-CH3]- C23H48NO7P 467.301192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR674 Lyso PC 14:0 monoisotopic mass C22H46NO7P 467.301192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR701 Lyso PE (18:0) [M-H-CH3]- C23H48NO7P 467.301192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR736 Lyso PC 15:0 [M-H-CH3]- C23H48NO7P 467.301192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR836 Lyso PE 18:0 [M-H-CH3]- C23H48NO7P 467.301192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR674 Lyso PC 14:0 monoisotopic mass C22H46NO7P 467.301192 masses lipides attendues Inhousejuil11 NA NA +EUR701 Lyso PE (18:0) [M-H-CH3]- C23H48NO7P 467.301192 masses lipides attendues Inhousejuil11 NA NA +EUR736 Lyso PC 15:0 [M-H-CH3]- C23H48NO7P 467.301192 masses lipides attendues Inhousejuil11 NA NA +EUR836 Lyso PE 18:0 [M-H-CH3]- C23H48NO7P 467.301192 masses lipides attendues Inhousejuil11 NA NA +MJ068872 Buprenorphine C29H41NO4 467.303558 NA MeJP NA NA +MJ068873 Jervine; O-Ac C29H41NO4 467.303558 NA MeJP NA NA +MJ068874 Petisidinine; 3-Ac C29H41NO4 467.303558 NA MeJP NA NA +C08007 Buprenorphine C29H41NO4 467.3036 NA KEGG NA NA +C08008 Transferred to D00836 C29H41NO4 467.3036 NA KEGG NA NA +C08009 Transferred to D00837 C29H41NO4 467.3036 NA KEGG NA NA +MJ068875 Oxetacaine C28H41N3O3 467.314792 NA MeJP NA NA +MJ068876 Tiropramide C28H41N3O3 467.314792 NA MeJP NA NA +C12552 Oxethazaine C28H41N3O3 467.3148 NA KEGG NA NA +C12553 Transferred to D01153 C28H41N3O3 467.3148 NA KEGG NA NA +MJ068877 Asmarine C; 5-Epimer, N10'-methoxy C27H41N5O2 467.326025 NA MeJP NA NA +MJ068878 Asmarine C; N10'-Methoxy C27H41N5O2 467.326025 NA MeJP NA NA +MJ068879 Cytosine arabinoside; ?-D-Furanose-form, N4-Hexadecyl C25H45N3O5 467.335921 NA MeJP NA NA +MJ068880 Panclicins; Panclicin E C27H49NO5 467.361073 NA MeJP NA NA +MJ068881 Alkaloid LO2 C30H49N3O 467.387563 NA MeJP NA NA +MJ068882 Alkaloid LS14 C30H49N3O 467.387563 NA MeJP NA NA +MJ068883 Lucidine B C30H49N3O 467.387563 NA MeJP NA NA +C09869 Lucidine B C30H49N3O 467.3876 NA KEGG NA NA +MJ068884 Furidarone C13H10I2O3 467.871931 NA MeJP NA NA +MJ068885 Rhodomelol; 3-Me ether C14H14Br2O8 467.905542 NA MeJP NA NA +HMDB01191 Deoxyuridine triphosphate C9H15N2O14P3 467.9736 http://www.hmdb.ca/metabolites/HMDB01191 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01191 Deoxyuridine triphosphate C9H15N2O14P3 467.9736 http://www.hmdb.ca/metabolites/HMDB01191 HMDB NA NA +C00460 dUTP C9H15N2O14P3 467.9736 NA KEGG NA NA +C00461 Chitin C9H15N2O14P3 467.9736 NA KEGG NA NA +C00462 Halide HX 467.9736 NA KEGG NA NA +HMDB01191 Deoxyuridine triphosphate C9H15N2O14P3 467.9736 http://www.hmdb.ca/metabolites/HMDB01191 PFEM_hmdb_metabocards_blood NA blood +HMDB01191 Deoxyuridine triphosphate C9H15N2O14P3 467.9736 HMDB01191 PFEM_hmdb_metabocards_official NA NA +HMDB01191 Deoxyuridine triphosphate C9H15N2O14P3 467.973602 NA HMDB2010 NA NA +MJ068886 dUTP C9H15N2O14P3 467.973612 NA MeJP NA NA +MetaCyc03654 dUTP [deoxy-UTP;2'-deoxyuridine-5'-triphosphate;deoxyuridine-triphosphate;] C9H15N2O14P3 467.973613 1173-82-6 metacyc NA NA +MJ068887 Dibrompropamidine C17H18Br2N4O2 467.979651 NA MeJP NA NA +MJ068888 4,19-Dibromo-3-ethyl-2,20-dioxabicyclo[14.3.1]eicosa-1(19),6,9,16-tetraen-12-yn-18-one C20H22Br2O3 467.993569 NA MeJP NA NA +HMDB06810 1-Phosphatidyl-1D-myo-inositol 4-phosphate C11H18O16P2 468.00702 http://www.hmdb.ca/metabolites/HMDB06810 HMDB NA NA +HMDB06810 1-Phosphatidyl-1D-myo-inositol 4-phosphate C11H18O16P2 468.00702 HMDB06810 PFEM_hmdb_metabocards_official NA NA +MJ068889 Adamexine C20H26Br2N2O 468.041188 NA MeJP NA NA +MJ068890 Prazocillin C19H18Cl2N4O4S 468.042581 NA MeJP NA NA +MJ068891 Alnicortol; 3-Ketone C19H16O14 468.054005 NA MeJP NA NA +MetaCyc03655 2-(α-hydroxyethyl)-ThPP [2-(α-hydroxyethyl)-TPP;] C14H22N4O8P2S1 468.063357 NA metacyc NA NA +MJ068892 Cromoglicic acid C23H16O11 468.069261 NA MeJP NA NA +C06928 Cromolyn C23H16O11 468.0693 NA KEGG NA NA +C06929 Transferred to D00286 C23H16O11 468.0693 NA KEGG NA NA +MJ068893 Falconensin A; 4''-O-De-Me C22H22Cl2O7 468.074258 NA MeJP NA NA +MJ068894 1,5-Anhydroglucitol, 2,6-Bis(3,4,5-trihydroxybenzoyl) C20H20O13 468.09039 NA MeJP NA NA +MJ068895 2,5-Dihydroxybenzoic acid; 5-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C20H20O13 468.09039 NA MeJP NA NA +MJ068896 3,4,5-Trihydroxybenzaldehyde; 3-O-[6-O-(3,4,5-Trihydroxybenzoyl)-?-D-glucopyranoside] C20H20O13 468.09039 NA MeJP NA NA +MJ068897 3,4,5-Trihydroxybenzaldehyde; 4-O-[6-O-(3,4,5-Trihydroxybenzoyl)-?-D-glucopyranoside] C20H20O13 468.09039 NA MeJP NA NA +MJ068898 proto-Quercitol, 1,4-Bis(3,4,5-trihydroxybenzoyl) C20H20O13 468.09039 NA MeJP NA NA +MJ068899 proto-Quercitol, 3,5-Bis(3,4,5-trihydroxybenzoyl) C20H20O13 468.09039 NA MeJP NA NA +MJ068900 proto-Quercitol, 4,5-Bis(3,4,5-trihydroxybenzoyl) C20H20O13 468.09039 NA MeJP NA NA +MJ068901 scyllo-Quercitol; 1,2-Bis-O-(3,4,5-trihydroxybenzoyl) C20H20O13 468.09039 NA MeJP NA NA +MetaCyc03656 D-Alanyl-alanyl-poly(glycerolphosphate) [] C12H26N2O13P2 468.091012 NA metacyc NA NA +MJ068902 Murayaanthraquinone C26H16N2O7 468.09575 NA MeJP NA NA +PJ002063 CCDE C15H24N4O9S2 468.0985 NA PeJP NA NA +FL63AGNN0003 Epigallocatechin 3-O-caffeate C24H20O10 468.10564 122412-14-0 knapsack NA NA +FL63AGNN0004 Apocynin A;(2R,3S,10S)-10-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one C24H20O10 468.10564 246152-21-6 knapsack NA NA +FL63AGNN0005 Apocynin C;(2R,3R,10S)-10-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one C24H20O10 468.10564 246152-23-8 knapsack NA NA +MJ068903 4-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-2-naphthalenecarboxylic acid; Shikim-5-yl ester C24H20O10 468.105646 NA MeJP NA NA +MJ068904 6-[[3,5-Dihydroxy-2-[[1,2,3,4-tetrahydro-2,5,7-trihydroxy-2-methyl-4-oxo-1-naphthalenyl]carbonyl]phenyl]methyl]-4-hydroxy-2H-pyran-2-one C24H20O10 468.105646 NA MeJP NA NA +MJ068905 7,7'-Dihydroxy-8,8'-bicoumarin; O-?-L-Rhamnopyranoside C24H20O10 468.105646 NA MeJP NA NA +MJ068906 Cadensin G C24H20O10 468.105646 NA MeJP NA NA +MJ068907 Cinchonain Ia; 3,10-Diepimer, 5'-hydroxy C24H20O10 468.105646 NA MeJP NA NA +MJ068908 Cinchonain Ia; 3-Epimer, 5'-hydroxy C24H20O10 468.105646 NA MeJP NA NA +MJ068909 Cinchonain Ia; 5'-Hydroxy C24H20O10 468.105646 NA MeJP NA NA +MJ068910 Cinchonain Ic; 3-Epimer, 5'-hydroxy C24H20O10 468.105646 NA MeJP NA NA +MJ068911 Gyrophoric acid C24H20O10 468.105646 NA MeJP NA NA +MJ068912 [p-Terphenyl]-2',3,3',4,4'',5',6'-heptol; 2',3',4-Tri-Ac C24H20O10 468.105646 NA MeJP NA NA +MJ068913 Simfibrate C23H26Cl2O6 468.110643 NA MeJP NA NA +MJ068914 Kinamycin F; 4-Propanoyl, 2-Ac C23H20N2O9 468.11688 NA MeJP NA NA +MJ068915 18-Chloro-15,16-epoxy-4,7,19-trihydroxy-3,6-dioxo-13(16),14-clerodadien-20,12-olide, 19-Ac C22H25ClO9 468.11871 NA MeJP NA NA +MJ068916 Ampelopsin A, 7-Epimer, 7',8'-didehydro C28H20O7 468.120902 NA MeJP NA NA +MJ068917 ?-Viniferin, 2''-Hydroxy, 7',8'-didehydro C28H20O7 468.120902 NA MeJP NA NA +FL6DACGS0001 Catechin-4-ol 3-O-beta-D-galactopyranoside C21H24O12 468.12677 102130-02-9 knapsack NA NA +FL6DACGS0002 Catechin-4-ol 3-O-beta-D-glycopyranoside C21H24O12 468.12677 60924-72-3 knapsack NA NA +FL6DAGGS0002 Leucodelphinidin 3-O-alpha-L-rhamnopyranoside C21H24O12 468.12677 76532-04-2 knapsack NA NA +MJ068918 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C21H24O12 468.126776 NA MeJP NA NA +MJ068919 2-(3,4-Dihydroxyphenyl)ethanol; 3'-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C21H24O12 468.126776 NA MeJP NA NA +MJ068920 2-(3,4-Dihydroxyphenyl)ethanol; 4'-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C21H24O12 468.126776 NA MeJP NA NA +MJ068921 3,3',4,4',5,5',7-Heptahydroxyflavan; 3-O-?-L-Rhamnopyranoside C21H24O12 468.126776 NA MeJP NA NA +MJ068922 3,3',4,4',5,7-Hexahydroxyflavan, 3-O-?-D-Glucopyranoside C21H24O12 468.126776 NA MeJP NA NA +MJ068923 3,3',4,4',5,7-Hexahydroxyflavan, 3-O-?-D-Galactopyranoside C21H24O12 468.126776 NA MeJP NA NA +MJ068924 3,3a,7,7a-Tetrahydro-6-hydroxy-2(6H)-benzofuranone, O-[6-O-(3,4,5-Trihydroxybenzoyl)-?-D-glucopyranoside] C21H24O12 468.126776 NA MeJP NA NA +MJ068925 Aquilegiolide; 6-Epimer, 4,5-dihydro, O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C21H24O12 468.126776 NA MeJP NA NA +MJ068926 Coatline A; 3''-Hydroxy C21H24O12 468.126776 NA MeJP NA NA +MJ068927 2,2'-[2-Butene-1,4-diylbis(oxy-4,1-phenylenemethylene)]bis-1,2,4-oxadiazoline-3,5-dione C22H20N4O8 468.128113 NA MeJP NA NA +PJ002064 SCEM C16H28N4O8S2 468.1349 NA PeJP NA NA +MJ068928 Polycarpine C22H24N6O2S2 468.140215 NA MeJP NA NA +C12403 104-1 C25H24O9 468.142 NA KEGG NA NA +C12407 104-2 C25H24O9 468.142 NA KEGG NA NA +MJ068929 1,10,12-Trihydroxy-8-methyl-6H-benzo[d]naphtho-[1,2-b]-pyran-6-one; 10-Me ether, 12-O-?-L-rhamnopyranoside C25H24O9 468.142032 NA MeJP NA NA +MJ068930 1-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 4,7-Dibenzoyl, 2,3-di-Ac C25H24O9 468.142032 NA MeJP NA NA +MJ068931 2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1',4-Dibenzoyl, 1,3-di-Ac C25H24O9 468.142032 NA MeJP NA NA +MJ068932 2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 3,4-Dibenzoyl, 1,1'-di-Ac C25H24O9 468.142032 NA MeJP NA NA +MJ068933 Antibiotic BA 12100MY1 C25H24O9 468.142032 NA MeJP NA NA +MJ068934 Antibiotic TAN 1085 C25H24O9 468.142032 NA MeJP NA NA +MJ068935 Atramycin A C25H24O9 468.142032 NA MeJP NA NA +MJ068936 Silydianin; 3-Deoxy C25H24O9 468.142032 NA MeJP NA NA +MJ068937 2-[5-(1,6-Dioxaspiro[4.5]dec-3-en-2-ylidenemethyl)-2-thienyl]-2,5-dihydro-5-(2-thienylmethylene)-2-furanbutanol C26H28O4S2 468.1429 NA MeJP NA NA +PJ002065 GDDY C19H24N4O10 468.1493 NA PeJP NA NA +PJ002066 PCCF C20H28N4O5S2 468.1501 NA PeJP NA NA +PJ002067 GMMM C17H32N4O5S3 468.1535 NA PeJP NA NA +MJ068938 Chaetoviridin D C23H29ClO8 468.155095 NA MeJP NA NA +FL2FA9NC0005 Dichamanetin C29H24O6 468.15728 58779-09-2 knapsack NA NA +MJ068939 Dichamanetin C29H24O6 468.157288 NA MeJP NA NA +MJ068940 Marchantinquinone; 11-Methoxy C29H24O6 468.157288 NA MeJP NA NA +MJ068941 Ajugol; 6-O-(4-Hydroxybenzoyl) C22H28O11 468.163161 NA MeJP NA NA +MJ068942 Angelicain, 4-Me ether, 1''-O-?-D-glucopyranoside C22H28O11 468.163161 NA MeJP NA NA +MJ068943 Harpagide; 8-O-Benzoyl C22H28O11 468.163161 NA MeJP NA NA +PJ002068 SPCY C20H28N4O7S 468.1679 NA PeJP NA NA +PJ002069 STMM C17H32N4O7S2 468.1713 NA PeJP NA NA +FL3FRNNR0003 Artoindonesianin B;(+)-6,7-Dihydro-6-(1-hydroperoxy-1-methylethyl)-3,9-dihydroxy-11-methoxy-10-[(1E)-3-methyl-1-butenyl]-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one C26H28O8 468.17841 223386-74-1 knapsack NA NA +MJ068944 3,3',4,4',8-Pentahydroxylignan-9,9'-olide, 3,4-Methylene, 3',4'-di-Me ether, 8-O-angeloyl C26H28O8 468.178417 NA MeJP NA NA +MJ068945 3,4,4',5',9'-Pentahydroxy-8,2'-neoligna-7',8-diene, 3,4'-Di-Me ether, tri-Ac C26H28O8 468.178417 NA MeJP NA NA +MJ068946 3,4,4',5',9'-Pentahydroxy-8,2'-neoligna-7,7'-diene, 3,4'-Di-Me ether, tri-Ac C26H28O8 468.178417 NA MeJP NA NA +MJ068947 Chaplashin; 11-Hydroperoxide C26H28O8 468.178417 NA MeJP NA NA +MJ068948 Cycloepiatalantin C26H28O8 468.178417 NA MeJP NA NA +MJ068949 Dukunolide D C26H28O8 468.178417 NA MeJP NA NA +MJ068950 Erythbigenol A C26H28O8 468.178417 NA MeJP NA NA +MJ068951 Erythbigenone A C26H28O8 468.178417 NA MeJP NA NA +MJ068952 Jangomolide C26H28O8 468.178417 NA MeJP NA NA +MJ068953 Najamxanthone C26H28O8 468.178417 NA MeJP NA NA +MJ068954 Staurosporine; 11-Hydroxy, 4'-N-de-Me C27H24N4O4 468.179755 NA MeJP NA NA +MJ068955 Staurosporine; 3-Hydroxy, O-de-Me C27H24N4O4 468.179755 NA MeJP NA NA +MJ068956 Staurosporine; 4'-N-Hydroxy, O-de-Me C27H24N4O4 468.179755 NA MeJP NA NA +MJ068957 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-Sulfate C23H32O8S 468.181788 NA MeJP NA NA +C11273 Acriflavine C14H14N3 468.1829 NA KEGG NA NA +PJ002070 GTEY C20H28N4O9 468.1856 NA PeJP NA NA +MJ068958 Adenopterin C21H24N8O5 468.186965 NA MeJP NA NA +MJ068959 Mappicine, O-?-D-Glucopyranoside C25H28N2O7 468.189651 NA MeJP NA NA +PJ002071 SPEH C19H28N6O8 468.1969 NA PeJP NA NA +C09525 Paucin C23H32O10 468.1995 NA KEGG NA NA +MJ068960 1,2-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 2-O-(6-O-Acetyl-?-D-glucopyranoside) C23H32O10 468.199547 NA MeJP NA NA +MJ068961 2,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone, 2-(6-O-acetyl-?-D-glucopyranoside) C23H32O10 468.199547 NA MeJP NA NA +MJ068962 Lamifiban C24H28N4O6 468.200884 NA MeJP NA NA +PJ002072 TYW C24H28N4O6 468.2009 NA PeJP NA NA +PJ002073 GVMY C21H32N4O6S 468.2043 NA PeJP NA NA +MJ068963 Asterriquinol D; 2'-(1,1-Dimethyl-2-propenyl) C29H28N2O4 468.204907 NA MeJP NA NA +MJ068964 Ochrindole A; 10-Hydroxy C29H28N2O4 468.204907 NA MeJP NA NA +PJ002074 GQQH C18H28N8O7 468.2081 NA PeJP NA NA +FL2FALNI0023 Exiguaflavanone E C27H32O7 468.2148 149725-18-8 knapsack NA NA +FLIAAFNP0001 1'',2''-Dihydro-8-hydroxyisopentanyl-3'-methoxy-4'-O-methylalpinumisoflavone C27H32O7 468.2148 78876-31-0 knapsack NA NA +FLIAALNP0011 1'',2''-Dihydro-8-hydroxyisopentanyl-2'-methoxy-4'-O-methylalpinumisoflavone C27H32O7 468.2148 78876-32-1 knapsack NA NA +MJ068965 2',4',5,5',7-Pentahydroxy-8-lavandulylflavanone, 5',7-Di-Me ether C27H32O7 468.214803 NA MeJP NA NA +MJ068966 20-Prenylitalipyrone C27H32O7 468.214803 NA MeJP NA NA +MJ068967 7-(2,4-Dimethoxyphenyl)-3,4-dihydro-5-hydroxy-10-(3-hydroxy-3-methylbutyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one C27H32O7 468.214803 NA MeJP NA NA +MJ068968 7-(3,4-Dimethoxyphenyl)-3,4-dihydro-5-hydroxy-10-(3-hydroxy-3-methylbutyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,6-b']dipyran-6-one C27H32O7 468.214803 NA MeJP NA NA +MJ068969 Andirobin C27H32O7 468.214803 NA MeJP NA NA +MJ068970 Carapin C27H32O7 468.214803 NA MeJP NA NA +MJ068971 Decarboxyalectoronic acid C27H32O7 468.214803 NA MeJP NA NA +MJ068972 Furfuraceic acid C27H32O7 468.214803 NA MeJP NA NA +MJ068973 Garvalone A C27H32O7 468.214803 NA MeJP NA NA +MJ068974 Haemophaein C27H32O7 468.214803 NA MeJP NA NA +MJ068975 Mexicanolide C27H32O7 468.214803 NA MeJP NA NA +MJ068976 Nimbin; 28-Aldehyde, O-de-Ac C27H32O7 468.214803 NA MeJP NA NA +MJ068977 Nimbolide; 2,3-Dihydro C27H32O7 468.214803 NA MeJP NA NA +MJ068978 Rubschisandrin, 3'-O-De-Me, 3'-O-angeloyl C27H32O7 468.214803 NA MeJP NA NA +PJ002075 MRY C20H32N6O5S 468.2155 NA PeJP NA NA +MJ068979 9-[(Dimethylamino)methyl]-6,7,10,11-tetrahydro-9H,18H-5,21:12,17-dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione C28H28N4O3 468.21614 NA MeJP NA NA +2874 opioid fragment of dermorphin YIFHLMN 468.22015 MH2+ Inhouse_peptide NA peptide +PJ002076 SSLY C21H32N4O8 468.222 NA PeJP NA NA +MJ068980 Lomerizine C27H30F2N2O3 468.222449 NA MeJP NA NA +MJ068981 Dihydrocorymine; 3-Epimer, di-Ac C26H32N2O6 468.226036 NA MeJP NA NA +MJ068982 Strychnosilidine; 19,20-Dihydro, 18,19,20,21-tetradehydro C26H32N2O6 468.226036 NA MeJP NA NA +MJ068983 Rofleponide C25H34F2O6 468.232345 NA MeJP NA NA +PJ002077 ALEH C20H32N6O7 468.2333 NA PeJP NA NA +MJ068984 2,6,9,10-Tetrahydroxy-5-oxo-11(13)-germacren-12,8-olide, 6-(2-Methylbutanoyl), 9-(2-methylpropanoyl) C24H36O9 468.235932 NA MeJP NA NA +MJ068985 3,4,11-Trihydroxy-6-eudesmen-8-one, 3-(2-Acetoxy-3-hydroxy-2-methylbutanoyl), 4-Ac C24H36O9 468.235932 NA MeJP NA NA +MJ068986 5,6,9,10-Tetrahydroxy-1-oxo-11(13)-germacren-12,8-olide, 9-(2-Methylbutanoyl), 5-(2-methylpropanoyl) C24H36O9 468.235932 NA MeJP NA NA +MJ068987 7,20-Epoxy-1,6,7,15,16,17-kauranehexol, 6,17-Di-Ac C24H36O9 468.235932 NA MeJP NA NA +MJ068988 7,20-Epoxy-6,7,14,15,16,17-kauranehexol, 6,17-Di-Ac C24H36O9 468.235932 NA MeJP NA NA +PJ002078 GVFF C25H32N4O5 468.2373 NA PeJP NA NA +C01917 Gentamicin A C18H36N4O10 468.2431 NA KEGG NA NA +C01918 Gentamicin C C19H37N5O7 468.2431 NA KEGG NA NA +MJ068989 Gentamicin A C18H36N4O10 468.243143 NA MeJP NA NA +MJ068990 Kanamycin A; 5-Deoxy C18H36N4O10 468.243143 NA MeJP NA NA +MJ068991 Kanamycin C; 3'-Deoxy C18H36N4O10 468.243143 NA MeJP NA NA +MJ068992 Nebramycin factor 3; 3'-Deoxy C18H36N4O10 468.243143 NA MeJP NA NA +PJ002079 GQKH C19H32N8O6 468.2445 NA PeJP NA NA +PJ002080 FFR C24H32N6O4 468.2485 NA PeJP NA NA +MJ068993 14,15-Epoxy-17,20-dihydroxy-1-oxowitha-3,5,24-trienolide C28H36O6 468.251188 NA MeJP NA NA +MJ068994 14,20-Epoxy-17,27-dihydroxy-1-oxowitha-2,5,24-trienolide C28H36O6 468.251188 NA MeJP NA NA +MJ068995 14,20-Epoxy-17,27-dihydroxy-1-oxowitha-3,5,24-trienolide C28H36O6 468.251188 NA MeJP NA NA +MJ068996 14,22:22,25-Diepoxy-9,23-dihydroxyergosta-4,7,11-triene-3,6-dione C28H36O6 468.251188 NA MeJP NA NA +MJ068997 16,17-Epoxy-8,11-dihydroxy-1-oxowitha-2,5,24-trienolide C28H36O6 468.251188 NA MeJP NA NA +MJ068998 18,20-Epoxy-4,18-dihydroxy-1-oxowitha-2,5,24-trienolide C28H36O6 468.251188 NA MeJP NA NA +MJ068999 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-Benzoyl C28H36O6 468.251188 NA MeJP NA NA +MJ069000 4a,6-Dihydroxy-A-homoazadirone C28H36O6 468.251188 NA MeJP NA NA +MJ069001 5,6-Epoxy-4,20-dihydroxy-1-oxowith-24-enolide, 2,3-Didehydro, 4-ketone C28H36O6 468.251188 NA MeJP NA NA +MJ069002 5,6-Epoxy-7-hydroxy-1,12-dioxowitha-2,24-dienolide C28H36O6 468.251188 NA MeJP NA NA +MJ069003 6,15,17-Trihydroxy-3-cleroden-18-oic acid, 15-Carboxylic acid, 18?6 lactone, 17-phenylacetyl C28H36O6 468.251188 NA MeJP NA NA +MJ069004 6,7-Epoxy-5,16-dihydroxy-1-oxowitha-2,17(20),24-trienolide C28H36O6 468.251188 NA MeJP NA NA +MJ069005 7,12-Dihydroxymeliac-1-ene-3,15-dione, 12-Ac C28H36O6 468.251188 NA MeJP NA NA +MJ069006 Azadirone; 6?-Hydroxy, 14?,15?-epoxide C28H36O6 468.251188 NA MeJP NA NA +MJ069007 Azadironolide C28H36O6 468.251188 NA MeJP NA NA +MJ069008 Clinofibrate C28H36O6 468.251188 NA MeJP NA NA +MJ069009 Jaborol C28H36O6 468.251188 NA MeJP NA NA +MJ069010 Jaborosalactone P C28H36O6 468.251188 NA MeJP NA NA +MJ069011 Salpichrolide C C28H36O6 468.251188 NA MeJP NA NA +MJ069012 Salpichrolide D C28H36O6 468.251188 NA MeJP NA NA +MJ069013 Salpichrolide H C28H36O6 468.251188 NA MeJP NA NA +MJ069014 Withanicandrin C28H36O6 468.251188 NA MeJP NA NA +MJ069015 Withanolide M C28H36O6 468.251188 NA MeJP NA NA +MJ069016 Withaphysalin B C28H36O6 468.251188 NA MeJP NA NA +MJ069017 Usambarensine; 6',10-Dihydroxy, 1'S,2,3,4-tetrahydro C29H32N4O2 468.252526 NA MeJP NA NA +CJneg0622 Androsterone glucuronide [(M-H)]- (18O) C25H37O718O 468.261425 C18rt(min)=8.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0622 Androsterone glucuronide [(M-H)]- (18O) C25H37O718O 468.261425 C18rt(min)=8.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +PJ002081 SLLH C21H36N6O6 468.2697 NA PeJP NA NA +EUR088 3?-AndrostanediolGlucuronide C25H40O8 468.2723 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR088 3?-AndrostanediolGlucuronide C25H40O8 468.2723 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR088 3?-AndrostanediolGlucuronide C25H40O8 468.2723 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR088 3?-AndrostanediolGlucuronide C25H40O8 468.2723 Wishlist Inhousejuil11 NA NA +HMDB10321 3,17-Androstanediol glucuronide C25H40O8 468.272308 NA HMDB2010 NA NA +HMDB10339 3-alpha-androstanediol glucuronide C25H40O8 468.272308 NA HMDB2010 NA NA +HMDB10359 17-hydroxyandrostane-3-glucuronide C25H40O8 468.272308 NA HMDB2010 NA NA +MJ069018 8,13-Labdadiene-6,15,17,19-tetrol, 17-Aldehyde, 6-O-?-L-arabinopyranoside C25H40O8 468.272318 NA MeJP NA NA +MJ069019 9,11,15,18-Tetrahydroxyprosta-5,13-dienoic acid, 11,18-Di-Ac, Me ester C25H40O8 468.272318 NA MeJP NA NA +EUR088 3?-AndrostanediolGlucuronide C25H40O8 468.27232 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR088 3?-AndrostanediolGlucuronide C25H40O8 468.27232 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR088 3?-AndrostanediolGlucuronide C25H40O8 468.27232 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR088 3?-AndrostanediolGlucuronide C25H40O8 468.27232 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR088 3?-AndrostanediolGlucuronide C25H40O8 468.27232 Wishlist HMDB NA NA +EUR088 3?-AndrostanediolGlucuronide C25H40O8 468.27232 Wishlist Inhouse_PFEM NA NA +EUR088 3?-AndrostanediolGlucuronide C25H40O8 468.27232 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR088 3?-AndrostanediolGlucuronide C25H40O8 468.27232 Wishlist PFEM_hmdb_metabocards_official NA NA +PJ002082 GKKH C20H36N8O5 468.2809 NA PeJP NA NA +MJ069020 13(16),14-Labdadiene-7,8,19-triol, 19-(4-Hydroxycinnamoyl)(E-) C29H40O5 468.287574 NA MeJP NA NA +MJ069021 13(16),14-Labdadiene-7,8,19-triol, 19-(4-Hydroxycinnamoyl)(Z-) C29H40O5 468.287574 NA MeJP NA NA +MJ069022 15-Isopimarene-8,11,12-triol, 12-(4-Hydroxycinnamoyl) C29H40O5 468.287574 NA MeJP NA NA +MJ069023 16,17-Kauranediol, 17-(3,4-Dihydroxycinnamoyl)(E-) C29H40O5 468.287574 NA MeJP NA NA +MJ069024 17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene-3,15,24-trione C29H40O5 468.287574 NA MeJP NA NA +MJ069025 2-(5-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-6-methyl-1,2-benzenediol; 12'-Oxo, 5'-Ac C29H40O5 468.287574 NA MeJP NA NA +MJ069026 7-Hydroxy-4-methyl-3,11-dioxoergosta-8,14,24(28)-trien-26-oic acid C29H40O5 468.287574 NA MeJP NA NA +MJ069027 7-Hydroxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid, 7-Ketone C29H40O5 468.287574 NA MeJP NA NA +MJ069028 7-Labdene-3,15-diol, 15-Carboxylic acid, 3-(4-hydroxycinnamoyl)(E-) C29H40O5 468.287574 NA MeJP NA NA +MJ069029 Cabraleahydroxylactone; 12?-Acetoxy, 1,2,22,23-tetradehydro, 3-ketone C29H40O5 468.287574 NA MeJP NA NA +MJ069030 Daldinin A; Daldinin A4 C29H40O5 468.287574 NA MeJP NA NA +MJ069031 Datumelin C29H40O5 468.287574 NA MeJP NA NA +MJ069032 Datumetelin C29H40O5 468.287574 NA MeJP NA NA +MJ069033 Daturametelin C C29H40O5 468.287574 NA MeJP NA NA +MJ069034 Daturametelin D C29H40O5 468.287574 NA MeJP NA NA +MJ069035 Kiheisterone A C29H40O5 468.287574 NA MeJP NA NA +MJ069036 Kiheisterone B C29H40O5 468.287574 NA MeJP NA NA +MJ069037 Pfaffic acid; 11-Oxo, 3-ketone, 7?-hydroxy C29H40O5 468.287574 NA MeJP NA NA +MJ069038 Usambarine; 10-Hydroxy, 18,19-dihydro C30H36N4O 468.288911 NA MeJP NA NA +MJ069039 Usambarine; 11-Hydroxy, 18,19-dihydro C30H36N4O 468.288911 NA MeJP NA NA +MJ069040 Quercitrin; O''-[?-D-Glucopyranosyl-(1?4)-D-galactopyranosyl] C33H40O2 468.30283 NA MeJP NA NA +PJ002083 PPKK C22H40N6O5 468.306 NA PeJP NA NA +MJ069041 16,19-Kauranediol, 19-O-?-D-Glucopyranoside C26H44O7 468.308703 NA MeJP NA NA +MJ069042 2,16-Kauranediol, 2-O-?-D-Glucopyranoside C26H44O7 468.308703 NA MeJP NA NA +MJ069043 2,3,4,6,11,19-Hexahydroxy-24-nor-9,11-secocholest-22-en-9-one C26H44O7 468.308703 NA MeJP NA NA +MJ069044 24-Methyl-26,27-dinor-22-cholestene-3,4,6,8,15,16,25-heptol C26H44O7 468.308703 NA MeJP NA NA +MJ069045 3,14-Clerodadiene-6,13-diol, 6-O-?-D-Glucopyranoside C26H44O7 468.308703 NA MeJP NA NA +MJ069046 3-Eudesmen-11-ol, O-[6-O-(3-Methylbutanoyl)-?-D-glucopyranoside] C26H44O7 468.308703 NA MeJP NA NA +MJ069047 8(17),13-Labdadiene-6,15,18-triol, 18-O-?-L-Rhamnopyranoside C26H44O7 468.308703 NA MeJP NA NA +MJ069048 8,13-Epoxy-14-labden-19-ol, 19-O-?-D-Glucopyranoside C26H44O7 468.308703 NA MeJP NA NA +MJ069049 Stemodin; 16-O-?-D-Glucopyranoside C26H44O7 468.308703 NA MeJP NA NA +MJ069050 11,13(18)-Oleanadiene-3,16,21,28-tetrol, 28-Carboxylic acid, 28?21 lactone C30H44O4 468.323959 NA MeJP NA NA +MJ069051 12,16-Dihydroxy-3-oxoeupha-7,24-dien-21-oic acid, (21?16)-Lactone C30H44O4 468.323959 NA MeJP NA NA +MJ069052 12-Hydroxy-3-oxocycloarta-1,24-dien-21-oic acid; 12?-form C30H44O4 468.323959 NA MeJP NA NA +MJ069053 15-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid; 15?-form C30H44O4 468.323959 NA MeJP NA NA +MJ069054 16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid; 16?-form C30H44O4 468.323959 NA MeJP NA NA +MJ069055 21,23-Epoxycycloart-24-ene-3,21,22-triol, 21-Ketone (lactone), 3-ketone C30H44O4 468.323959 NA MeJP NA NA +MJ069056 23-Hydroxy-3-oxolanosta-8,24-dien-26,23-olide; 23?-form C30H44O4 468.323959 NA MeJP NA NA +MJ069057 26,27-Dihydroxylanosta-7,9(11),24-triene-3,16-dione C30H44O4 468.323959 NA MeJP NA NA +MJ069058 28-Hydroxy-3-oxo-20(30)-lupen-29,21-olide; 21?-form C30H44O4 468.323959 NA MeJP NA NA +MJ069059 3,13-Dihydroxy-11-oleanen-28-oic acid; 3?-form, 3-Ketone, 28?13 lactone C30H44O4 468.323959 NA MeJP NA NA +MJ069060 3,16-Dihydroxylanosta-8,24-dien-21-oic acid, 3,16-Diketone C30H44O4 468.323959 NA MeJP NA NA +MJ069061 3,18-Dihydroxy-11-oxo-12-oleanen-29-oic acid, 29?18 lactone C30H44O4 468.323959 NA MeJP NA NA +MJ069062 3,19,20-Trihydroxy-11,13(18)-ursadien-28-oic acid, 28?20 Lactone C30H44O4 468.323959 NA MeJP NA NA +MJ069063 3,21,22-Trihydroxy-11,13(18)-oleanadien-28-oic acid, 28?22 Lactone C30H44O4 468.323959 NA MeJP NA NA +MJ069064 3,21,30-Trihydroxy-11,13(18)-pachanadien-28-oic acid, 28?21 Lactone C30H44O4 468.323959 NA MeJP NA NA +MJ069065 3,21-Dihydroxy-11,13(18)-oleanadien-28-oic acid, 21-Ketone C30H44O4 468.323959 NA MeJP NA NA +MJ069066 3,21-Dihydroxy-11,13(18)-oleanadien-28-oic acid, 3-Ketone C30H44O4 468.323959 NA MeJP NA NA +MJ069067 3,21-Dihydroxy-11,13(18)-oleanadien-29-oic acid, 21-Ketone C30H44O4 468.323959 NA MeJP NA NA +MJ069068 3,22,24-Trihydroxy-11,13(18)-oleanadien-30-oic acid, 30?22 Lactone C30H44O4 468.323959 NA MeJP NA NA +MJ069069 3,22-Dihydroxy-11-oxo-12-oleanen-30-oic acid, 30?22 Lactone C30H44O4 468.323959 NA MeJP NA NA +MJ069070 3,23-Dioxolanosta-7,24-dien-26-oic acid C30H44O4 468.323959 NA MeJP NA NA +MJ069071 3,23-Dioxolanosta-8,24-dien-26-oic acid C30H44O4 468.323959 NA MeJP NA NA +MJ069072 3,24-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 3-Ketone, 24-aldehyde C30H44O4 468.323959 NA MeJP NA NA +MJ069073 3,25-Dihydroxy-12-oleanen-30-oic acid, 3-Ketone, 25-aldehyde C30H44O4 468.323959 NA MeJP NA NA +MJ069074 3,25-Dihydroxy-18-oleanen-30-oic acid, 3-Ketone, 25-aldehyde C30H44O4 468.323959 NA MeJP NA NA +MJ069075 3,29-Dihydroxy-12-oleanen-27-oic acid; 3?-form, 3-Ketone, 29-aldehyde C30H44O4 468.323959 NA MeJP NA NA +MJ069076 3,30-Dihydroxy-12,14-pachanadien-28,21-olide C30H44O4 468.323959 NA MeJP NA NA +MJ069077 3,4-Secocycloarta-4(28),24-dien-26,22-olid-3-oic acid; 22R-form C30H44O4 468.323959 NA MeJP NA NA +MJ069078 3,4-Secocycloarta-4(28),6,24-triene-3,26-dioic acid; 24Z-form C30H44O4 468.323959 NA MeJP NA NA +MJ069079 3,7-Dihydroxy-12-oleanen-28-oic acid, 3,7-Diketone C30H44O4 468.323959 NA MeJP NA NA +MJ069080 3,7-Dihydroxylanosta-8,24-dien-26-oic acid, 3,7-Diketone C30H44O4 468.323959 NA MeJP NA NA +MJ069081 3-Hydroxy-1-oxo-11,13(18)-oleanadien-28-oic acid C30H44O4 468.323959 NA MeJP NA NA +MJ069082 3-Hydroxy-16-oxo-11,13(18)-oleanadien-30-oic acid C30H44O4 468.323959 NA MeJP NA NA +MJ069083 3-Hydroxy-16-oxolanosta-7,9(11),24-trien-21-oic acid C30H44O4 468.323959 NA MeJP NA NA +MJ069084 3-Hydroxy-22-oxo-11,13(18)-oleanadien-29-oic acid C30H44O4 468.323959 NA MeJP NA NA +MJ069085 3-Hydroxy-22-oxo-9(11),12-oleanadien-29-oic acid C30H44O4 468.323959 NA MeJP NA NA +MJ069086 3-Hydroxy-23-oxo-7,14,24-mariesiatrien-26-oic acid C30H44O4 468.323959 NA MeJP NA NA +MJ069087 3-Hydroxylanosta-7,24-dien-26,23-olide, 27-Hydroxy, 3-ketone C30H44O4 468.323959 NA MeJP NA NA +MJ069088 3-Hydroxytirucalla-8,24-dien-26-oic acid, 3-Ketone, 21-oxo C30H44O4 468.323959 NA MeJP NA NA +MJ069089 4-Methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid; 4?-form, Me ester C30H44O4 468.323959 NA MeJP NA NA +MJ069090 6,16-Dihydroxy-3-oxoeupha-7,24-dien-21-oic acid, (21?16)-Lactone C30H44O4 468.323959 NA MeJP NA NA +MJ069091 Anhydrobelachinal C30H44O4 468.323959 NA MeJP NA NA +MJ069092 Aquaticol C30H44O4 468.323959 NA MeJP NA NA +MJ069093 Bacchopetiolone C30H44O4 468.323959 NA MeJP NA NA +MJ069094 Bis(3,5-di-tert-butyl-4-hydroxyphenyl)acetic acid C30H44O4 468.323959 NA MeJP NA NA +MJ069095 Colupone C30H44O4 468.323959 NA MeJP NA NA +MJ069096 Dysonone B; 7-Ketone C30H44O4 468.323959 NA MeJP NA NA +MJ069097 Holosta-7,25-dien-3-ol, 16-Ketone C30H44O4 468.323959 NA MeJP NA NA +MJ069098 Kadsudilactone C30H44O4 468.323959 NA MeJP NA NA +MJ069099 Mariesiic acid B; 23-Ketone C30H44O4 468.323959 NA MeJP NA NA +MJ069100 Pseudolarolide A C30H44O4 468.323959 NA MeJP NA NA +MJ069101 Schisanlactone F C30H44O4 468.323959 NA MeJP NA NA +MJ069102 Seconeokadsuranic acid A C30H44O4 468.323959 NA MeJP NA NA +MJ069103 Stichopogenin A2 C30H44O4 468.323959 NA MeJP NA NA +MJ069104 Stoloniferone B; Ac C30H44O4 468.323959 NA MeJP NA NA +MJ069105 Uvariastrol C30H44O4 468.323959 NA MeJP NA NA +MetaCyc03657 3-oxoglycyrrhetinate [] C30H44O4 468.32396 NA metacyc NA NA +C02943 3-Oxoglycyrrhetinate C30H44O4 468.324 NA KEGG NA NA +MJ069106 Agel 452; 4-Deoxy, 2,5-dihydroxy C23H44N6O4 468.342403 NA MeJP NA NA +MJ069107 24-Methyl-27-nor-3,6,8,15,16,26-cholestanehexol C27H48O6 468.345089 NA MeJP NA NA +MJ069108 Cholestane-2,3,7,12,26,27-hexol C27H48O6 468.345089 NA MeJP NA NA +MJ069109 Cholestane-3,4,6,8,15,24-hexol C27H48O6 468.345089 NA MeJP NA NA +MJ069110 Cholestane-3,5,6,15,16,26-hexol C27H48O6 468.345089 NA MeJP NA NA +MJ069111 Cholestane-3,5,6,8,15,24-hexol C27H48O6 468.345089 NA MeJP NA NA +MJ069112 Cholestane-3,6,7,15,16,26-hexol C27H48O6 468.345089 NA MeJP NA NA +MJ069113 Cholestane-3,6,7,8,15,24-hexol C27H48O6 468.345089 NA MeJP NA NA +MJ069114 Cholestane-3,6,8,15,16,26-hexol C27H48O6 468.345089 NA MeJP NA NA +MJ069115 Cholestane-3,7,12,24,26,27-hexol C27H48O6 468.345089 NA MeJP NA NA +MJ069116 Cholestane-3,7,12,25,26,27-hexol C27H48O6 468.345089 NA MeJP NA NA +MJ069117 Herbasterol C27H48O6 468.345089 NA MeJP NA NA +C16260 Scymnol C27H48O6 468.3451 NA KEGG NA NA +C02785 3-Hydroxy-vitamin K C31H48O3 468.3603 NA KEGG NA NA +C02793 2-Hydroxy-vitamin K C31H48O3 468.3603 NA KEGG NA NA +C16950 Dehydroeburicoic acid C31H48O3 468.3603 NA KEGG NA NA +MJ069118 13-Methyl-3-oxo-20-ursen-28-oic acid C31H48O3 468.360345 NA MeJP NA NA +MJ069119 14-Serratene-3,21,30-triol, 30-Aldehyde, 21-ketone, 3-Me ether C31H48O3 468.360345 NA MeJP NA NA +MJ069120 21,24-Epoxy-2-hydroxy-24-methyllanosta-1,9(11)-dien-3-one C31H48O3 468.360345 NA MeJP NA NA +MJ069121 21-Hydroxy-13-serratene-3,15-dione; 21?-form, Me ether C31H48O3 468.360345 NA MeJP NA NA +MJ069122 28-Nor-12,17-lupadiene-3,16-diol, 3-Ac C31H48O3 468.360345 NA MeJP NA NA +MJ069123 28-Nor-12,20(30)-ursadiene-3,17-diol, 3-Ac C31H48O3 468.360345 NA MeJP NA NA +MJ069124 3-Hydroxy-24-methylene-7,9(11)-lanostadien-21-oic acid C31H48O3 468.360345 NA MeJP NA NA +MJ069125 3-Hydroxy-7-bauren-28-oic acid, 3-Ketone, Me ester C31H48O3 468.360345 NA MeJP NA NA +MJ069126 3-Hydroxylanosta-7,24-dien-26,23-olide, 3-Me ether C31H48O3 468.360345 NA MeJP NA NA +MJ069127 3-Oxo-12-oleanen-28-oic acid; Me ester C31H48O3 468.360345 NA MeJP NA NA +MJ069128 Ambolic acid; 3-Ketone C31H48O3 468.360345 NA MeJP NA NA +MJ069129 Cyclograndisolide C31H48O3 468.360345 NA MeJP NA NA +MJ069130 Monocarpin C31H48O3 468.360345 NA MeJP NA NA +MJ069131 Pisolactone; 3-Ketone C31H48O3 468.360345 NA MeJP NA NA +MetaCyc03658 3-hydroxy-2-methyl-3-phytyl-2,3-dihydronaphthoquinone [3-hydroxy-vitamin K;] C31H48O3 468.360345 NA metacyc NA NA +MJ069132 Holarrhenine; O-(4-Methylpent-3-enoyl) C30H48N2O2 468.371578 NA MeJP NA NA +MJ069133 Symetine C30H48N2O2 468.371578 NA MeJP NA NA +MJ069134 Stellettazole C C29H49N4O(+) 468.382812 NA MeJP NA NA +C08630 Lupeol acetate C32H52O2 468.3967 NA KEGG NA NA +MJ069135 12-Lupen-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069136 12-Oleanen-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069137 12-Oleanen-3-ol; 3?-form, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069138 12-Ursen-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069139 13(18)-Oleanen-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069140 13(18)-Ursen-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069141 14(18),17(20),24-Malabaricatrien-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069142 14-Taraxeren-3-ol, 3-Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069143 16-Gammaceren-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069144 17(21)-Hopen-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069145 18-Oleanen-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069146 18-Oleanen-3-ol; 3?-form, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069147 19(29)-Ursen-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069148 19-Ursen-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069149 20(29)-Lupen-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069150 20(29)-Lupen-3-ol; 3?-form, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069151 20(30)-Taraxasten-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069152 20(30)-Ursen-12-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069153 20(30)-Ursen-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069154 20-Taraxasten-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069155 22(29)-Hopen-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069156 24-Methyl-29-norcycloart-25-en-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069157 4,14-Dimethyl-9,19-cycloergost-25-en-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069158 4-Methylstigmasta-7,25-dien-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069159 5-Glutinen-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069160 7-Baueren-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069161 7-Multifloren-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069162 8-Multifloren-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069163 9(11)-Arborinen-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069164 9(11)-Fernen-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069165 Boehmerol; Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069166 Butyrospermol; Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069167 Cycloart-24-en-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069168 Cycloeucalenol; Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069169 Cyclopeltenol; Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069170 D-Friedo-14-lupen-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069171 Dammara-12,25-dien-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069172 Dammara-13(17),24-dien-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069173 Dammara-20,24-dien-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069174 Isoursenol; Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069175 Pichierenol; Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069176 Swertanone; 3?-Alcohol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069177 Tirucalla-8,22-dien-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069178 Tirucalla-8,24-dien-3-ol, Ac C32H52O2 468.39673 NA MeJP NA NA +MJ069179 14,15-Epoxy-2,3,6,10,15,18,22,23-octamethyl-19-methylene-1,6,10,23-tetracosatetraene C33H56O 468.433116 NA MeJP NA NA +MJ069180 14,15-Epoxy-2,3,7,10,15,18,23-heptamethyl-6,19-dimethylene-1,10,22-tetracosatriene C33H56O 468.433116 NA MeJP NA NA +MJ069181 23,24,24-Trimethyllanosta-9(11),25-dien-3-ol C33H56O 468.433116 NA MeJP NA NA +MJ069182 23-Ethyl-24-methylenecycloartan-3-ol C33H56O 468.433116 NA MeJP NA NA +MJ069183 Botryococcenone C33H56O 468.433116 NA MeJP NA NA +MJ069184 Clausenol C33H56O 468.433116 NA MeJP NA NA +MJ069185 Cycloneolitsin C33H56O 468.433116 NA MeJP NA NA +MJ069186 11-Hydroxytriacontanoic acid C30H60O3 468.454245 NA MeJP NA NA +MJ069187 30-Hydroxytriacontanoic acid C30H60O3 468.454245 NA MeJP NA NA +MJ069188 10,13-Hentriacontanediol C31H64O2 468.490631 NA MeJP NA NA +MJ069189 6,8-Hentriacontanediol C31H64O2 468.490631 NA MeJP NA NA +MJ069190 8,10-Hentriacontanediol C31H64O2 468.490631 NA MeJP NA NA +2875 opioid fragment of dermorphin YIFHLMD 468.71215 MH2+ Inhouse_peptide NA peptide +2573 vasopressin CYFQNCPRGG 468.71345 MH2+ Inhouse_peptide NA peptide +3722 NA WWPKHKG 468.7385 MH2+ Inhouse_peptide NA peptide +MJ069191 Dicloxacillin C19H17Cl2N3O5S 469.026596 NA MeJP NA NA +C06950 Dicloxacillin C19H17Cl2N3O5S 469.0266 NA KEGG NA NA +MJ069192 Palmatine chloroform C22H22Cl3NO4 469.061441 NA MeJP NA NA +HMDB03904 2-(alpha-Hydroxyethyl)thiamine diphosphate C14H23N4O8P2S 469.07117 http://www.hmdb.ca/metabolites/HMDB03904 HMDB NA NA +HMDB03904 2-(alpha-Hydroxyethyl)thiamine diphosphate C14H23N4O8P2S 469.07117 HMDB03904 PFEM_hmdb_metabocards_official NA NA +MJ069193 2-(alpha-Hydroxyethyl)thiamine diphosphate C14H23N4O8P2S 469.071182 NA MeJP NA NA +HMDB03904 2-(a-Hydroxyethyl)thiamine diphosphate C14H23N4O8P2S 469.071198 NA HMDB2010 NA NA +C05125 2-(alpha-Hydroxyethyl)thiamine diphosphate C14H23N4O8P2S 469.0712 NA KEGG NA NA +MJ069194 2-Hydroxy-2-[(4-methoxyphenyl)ethyl]glucosinolate C16H23NO11S2 469.071251 NA MeJP NA NA +MJ069195 3,4-Dihydroxybenzyl glucosinolate; Di-Me ether C16H23NO11S2 469.071251 NA MeJP NA NA +MJ069196 Tuberosinone; N-?-D-Glucopyranoside C23H19NO10 469.100895 NA MeJP NA NA +PJ002084 CCNM C15H27N5O6S3 469.1124 NA PeJP NA NA +C08529 Kalbreclasine C20H23NO12 469.122 NA KEGG NA NA +MJ069197 Narciclasine; 2-O-?-D-Glucopyranoside C20H23NO12 469.122025 NA MeJP NA NA +MJ069198 Narciclasine; 4-O-?-D-Glucopyranoside C20H23NO12 469.122025 NA MeJP NA NA +PJ002085 GSTCC C15H27N5O8S2 469.1301 NA PeJP NA NA +MJ069199 Cyclic AMP; N,O2-Dibutanoyl C18H24N5O8P 469.136249 NA MeJP NA NA +MJ069200 2-Butyl-1-[[4-[(2-carboxybenzoyl)amino]phenyl]methyl]-4-chloro-1H-imidazole-5-acetic acid C24H24ClN3O5 469.140448 NA MeJP NA NA +PJ002086 SSSSC C15H27N5O10S 469.1479 NA PeJP NA NA +C04611 Indol-3-ylacetyl-myo-inositol L-arabinoside C21H27NO11 469.1584 NA KEGG NA NA +MetaCyc03659 indole-3-yl-acetyl-myo-inositol L-arabinoside [indole-3-yl-acetyl-myo-inositol 3-L-arabinoside;] C21H27N1O11 469.158411 NA metacyc NA NA +PJ002087 GCQY C19H27N5O7S 469.1631 NA PeJP NA NA +MJ069201 Staurosporine; 4'-De(methylamino), 4',7-dihydroxy C27H23N3O5 469.16377 NA MeJP NA NA +MJ069202 Staurosporine; 4'-De(methylamino), 4'?,5'?-dihydroxy C27H23N3O5 469.16377 NA MeJP NA NA +MJ069203 Antibiotic DC 5-4 C15H27N5O12 469.165621 NA MeJP NA NA +MJ069204 Erbulozole C24H27N3O5S 469.167141 NA MeJP NA NA +PJ002088 PCNH C18H27N7O6S 469.1744 NA PeJP NA NA +PJ002089 SSNY C19H27N5O9 469.1809 NA PeJP NA NA +MJ069205 Diphenhydramine; 8-Chlorotheophylline salt (1:1) C24H28ClN5O3 469.188067 NA MeJP NA NA +PJ002090 GQEH C18H27N7O8 469.1921 NA PeJP NA NA +PJ002091 GCKY C20H31N5O6S 469.1995 NA PeJP NA NA +PJ002092 QHW C22H27N7O5 469.2074 NA PeJP NA NA +PJ002093 PPQE C20H31N5O8 469.2173 NA PeJP NA NA +MJ069206 3-Aminoheptanedioic acid, Bis(L-phenylalaninamide) C25H31N3O6 469.221285 NA MeJP NA NA +MJ069207 N1,N10-Dicoumaroylspermidine; 3',3''-Dihydroxy C25H31N3O6 469.221285 NA MeJP NA NA +MJ069208 Nefazodone C25H32ClN5O2 469.224453 NA MeJP NA NA +C07256 Nefazodone C25H32ClN5O2 469.2245 NA KEGG NA NA +PJ002094 GKEH C19H31N7O7 469.2285 NA PeJP NA NA +MJ069209 17-Methylparsonsianidine C23H35NO9 469.231181 NA MeJP NA NA +MJ069210 Lasiocarpine; O3'-Ac, N-oxide C23H35NO9 469.231181 NA MeJP NA NA +PJ002095 APPW C24H31N5O5 469.2325 NA PeJP NA NA +PJ002096 GTHR C18H31N9O6 469.2398 NA PeJP NA NA +EUR817 Lyso PE 14:1 [M+FA-H]- C19H38NO7P 469.243472 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR817 Lyso PE 14:1 [M+FA-H]- C19H38NO7P 469.243472 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR817 Lyso PE 14:1 [M+FA-H]- C19H38NO7P 469.243472 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR817 Lyso PE 14:1 [M+FA-H]- C19H38NO7P 469.243472 masses lipides attendues Inhousejuil11 NA NA +PJ002097 KHW C23H31N7O4 469.2438 NA PeJP NA NA +MJ069211 Hetidine; O3-(2-Methylpropanoyl), O2-Ac C27H35NO6 469.246437 NA MeJP NA NA +MJ069212 Tuberine C27H35NO6 469.246437 NA MeJP NA NA +PJ002098 PPKE C21H35N5O7 469.2537 NA PeJP NA NA +PJ002099 PPTR C20H35N7O6 469.2649 NA PeJP NA NA +MJ069213 Crassicaulidine C24H39NO8 469.267567 NA MeJP NA NA +MJ069214 Delcaroline; O1-De-Me C24H39NO8 469.267567 NA MeJP NA NA +MJ069215 Delcosine; 12?-Hydroxy C24H39NO8 469.267567 NA MeJP NA NA +MJ069216 Cytochalasin S C28H39NO5 469.282823 NA MeJP NA NA +7798 ACE inhibitor VVRP 469.289 antioxidative Inhouse_peptide NA peptide +PJ002100 PLLQ C22H39N5O6 469.2901 NA PeJP NA NA +MJ069217 Ebastine C32H39NO2 469.298079 NA MeJP NA NA +MJ069218 Terfenadone C32H39NO2 469.298079 NA MeJP NA NA +PJ002101 PVVR C21H39N7O5 469.3013 NA PeJP NA NA +MJ069219 Eflucimibe C29H43NO2S 469.30145 NA MeJP NA NA +MJ069220 Methymycin C25H43NO7 469.303952 NA MeJP NA NA +MJ069221 Neomethymycin C25H43NO7 469.303952 NA MeJP NA NA +C11995 Neomethymycin C25H43NO7 469.304 NA KEGG NA NA +C11996 Methymycin C25H43NO7 469.304 NA KEGG NA NA +MJ069222 Piericidin; Antibiotic IT143A C29H43NO4 469.319208 NA MeJP NA NA +MJ069223 Veralodisine C29H43NO4 469.319208 NA MeJP NA NA +PJ002102 PLLK C23H43N5O5 469.3264 NA PeJP NA NA +MJ069224 Daphnimacropine; Deoxy C30H47NO3 469.355594 NA MeJP NA NA +MJ069225 Secodaphniphylline C30H47NO3 469.355594 NA MeJP NA NA +MJ069226 N-(1-Hydroxymethyl-2-methoxyethyl)-7-methoxy-4-eicosenamide, 2'-Ac C27H51NO5 469.376723 NA MeJP NA NA +3130 ester transferases inhibitor WRMWYV 469.7152 MH2+ Inhouse_peptide NA peptide +MJ069227 1,1,3,3-Tetrabromo-2-heptanol; Ac C9H14Br4O2 469.77273 NA MeJP NA NA +MJ069228 Rubrolide E; 2,3''-Dibromo, 3'-chloro C17H9Br2ClO4 469.855611 NA MeJP NA NA +MJ069229 Rubrolide E; 3'',5''-Dibromo, 2-chloro C17H9Br2ClO4 469.855611 NA MeJP NA NA +MJ069230 Rubrolide E; 3',3''-Dibromo, 2-chloro C17H9Br2ClO4 469.855611 NA MeJP NA NA +MJ069231 Cefazaflur C13H13F3N6O4S3 470.011249 NA MeJP NA NA +MJ069232 Flavogallonic acid C21H10O13 470.01214 NA MeJP NA NA +MJ069233 Sanguisobic acid dilactone C21H10O13 470.01214 NA MeJP NA NA +MJ069234 Cefanone C15H14N6O6S3 470.013694 NA MeJP NA NA +HMDB03850 1-Phosphatidyl-1D-myo-inositol 3-phosphate C11H20O16P2 470.022644 NA HMDB2010 NA NA +HMDB03850 1-Phosphatidyl-1D-myo-inositol 3-phosphate C11H20O16P2 470.02267 http://www.hmdb.ca/metabolites/HMDB03850 HMDB NA NA +HMDB03850 1-Phosphatidyl-1D-myo-inositol 3-phosphate C11H20O16P2 470.02267 HMDB03850 PFEM_hmdb_metabocards_official NA NA +MJ069235 Nasrin C22H21Cl3O5 470.045456 NA MeJP NA NA +MJ069236 Clofibric acid; Aluminium compd. (2:1) C20H21AlCl2O7 470.047971 NA MeJP NA NA +MJ069237 7-[[(2-Amino-4-thiazolyl)(hydroxyimino)acetyl]amino]-3-[[[(dimethylamino)carbonyl]oxy]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid C16H18N6O7S2 470.067838 NA MeJP NA NA +MJ069238 Alnicortol C19H18O14 470.069655 NA MeJP NA NA +MJ069239 3,8-Dichloro-11,12-dihydroindolo[2,3-a]carbazole; N-(6-Deoxy-?-D-gulopyranosyl) C24H20Cl2N2O4 470.080012 NA MeJP NA NA +MJ069240 3,8-Dichloro-11,12-dihydroindolo[2,3-a]carbazole; N-?-L-Rhamnopyranosyl C24H20Cl2N2O4 470.080012 NA MeJP NA NA +FL5FACNS0005 3,5,7-Tris(acetyloxy)-2-[4-(acetyloxy)-3-hydroxyphenyl]-4H-1-benzopyran-4-one C23H18O11 470.08491 475107-94-9 knapsack NA NA +MJ069241 3,3',4',5,7-Pentahydroxyflavone; 3,3',4',7-Tetra-Ac C23H18O11 470.084911 NA MeJP NA NA +MJ069242 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-(2-O-Sulfo-?-D-glucopyranoside) C20H22O11S 470.088282 NA MeJP NA NA +MJ069243 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-(4-O-Sulfo-?-D-glucopyranoside) C20H22O11S 470.088282 NA MeJP NA NA +MJ069244 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-(6-O-Sulfo-?-D-glucopyranoside) C20H22O11S 470.088282 NA MeJP NA NA +MJ069245 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-?-D-Glucopyranoside, 4'-O-sulfate C20H22O11S 470.088282 NA MeJP NA NA +MJ069246 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-?-D-Glucopyranoside, 5-O-sulfate C20H22O11S 470.088282 NA MeJP NA NA +MJ069247 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-(2-O-Sulfo-?-D-glucopyranoside) C20H22O11S 470.088282 NA MeJP NA NA +MJ069248 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-(3-O-Sulfo-?-D-glucopyranoside) C20H22O11S 470.088282 NA MeJP NA NA +MJ069249 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-(4-O-Sulfo-?-D-glucopyranoside) C20H22O11S 470.088282 NA MeJP NA NA +MJ069250 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-(6-O-Sulfo-?-D-glucopyranoside) C20H22O11S 470.088282 NA MeJP NA NA +MJ069251 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-?-D-Glucopyranoside, 5-O-sulfate C20H22O11S 470.088282 NA MeJP NA NA +MJ069252 Falconensin A; 1',2'-Dihydro, 4''-O-de-Me C22H24Cl2O7 470.089908 NA MeJP NA NA +PJ002103 CCDM C15H26N4O7S3 470.0964 NA PeJP NA NA +MJ069253 5-(Hydroxymethyl)-1,2,3-benzenetriol; 1'-O-(3,4,5-Trihydroxybenzoyl), 2-O-?-D-glucopyranoside C20H22O13 470.10604 NA MeJP NA NA +MJ069254 5-(Hydroxymethyl)-1,2,3-benzenetriol; 2-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C20H22O13 470.10604 NA MeJP NA NA +MJ069255 Ulbactin C C19H26N4O4S3 470.111617 NA MeJP NA NA +FL3F29GF0001 Pongamoside B C24H22O10 470.12129 713524-64-2 knapsack NA NA +FL5F29GF0001 Pongamoside C C24H22O10 470.12129 713524-65-3 knapsack NA NA +MJ069256 7-Hydroxy-2H-1-benzopyran-2-one; O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C24H22O10 470.121296 NA MeJP NA NA +HMDB06862 1,2-Diacyl-3-(GlcB1-6GlcB1)-sn-glycerol C17H26O15 470.12717 http://www.hmdb.ca/metabolites/HMDB06862 HMDB NA NA +HMDB06863 Digalactosyl-diacylglycerol C17H26O15 470.12717 http://www.hmdb.ca/metabolites/HMDB06863 HMDB NA NA +HMDB06862 1,2-Diacyl-3-(GlcB1-6GlcB1)-sn-glycerol C17H26O15 470.12717 HMDB06862 PFEM_hmdb_metabocards_official NA NA +HMDB06863 Digalactosyl-diacylglycerol C17H26O15 470.12717 HMDB06863 PFEM_hmdb_metabocards_official NA NA +MJ069257 Paucidactine A C23H22N2O9 470.13253 NA MeJP NA NA +PJ002104 SCMM C16H30N4O6S3 470.1328 NA PeJP NA NA +MJ069258 Melithiazoles; Melithiazole F C24H26N2O4S2 470.133398 NA MeJP NA NA +MJ069259 14-Chloro-3,4-epoxy-2,5,8,10-tetrahydroxy-11(13)-guaien-12,6-olide, 5-Deoxy, 8-O-(4-Acetoxy-2-methyl-2Z-butenoyl) C22H27ClO9 470.13436 NA MeJP NA NA +FL1CE9NC0001 Didymocalyxin B C28H22O7 470.13655 252238-41-8 knapsack NA NA +MJ069260 Ampelopsin A C28H22O7 470.136553 NA MeJP NA NA +MJ069261 Ampelopsin F; 7a-Epimer, 2b-hydroxy C28H22O7 470.136553 NA MeJP NA NA +MJ069262 Cassigarol C C28H22O7 470.136553 NA MeJP NA NA +MJ069263 Didymocalyxin B C28H22O7 470.136553 NA MeJP NA NA +MJ069264 Gnetin G C28H22O7 470.136553 NA MeJP NA NA +MJ069265 Scirpusin A C28H22O7 470.136553 NA MeJP NA NA +MJ069266 ?-Viniferin, 2''-Hydroxy C28H22O7 470.136553 NA MeJP NA NA +C09797 Plumieride C21H26O12 470.1424 NA KEGG NA NA +MJ069267 1,4,5-Naphthalenetriol; 4-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C21H26O12 470.142426 NA MeJP NA NA +MJ069268 1,4,5-Naphthalenetriol; 4-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C21H26O12 470.142426 NA MeJP NA NA +MJ069269 1,4,5-Naphthalenetriol; 4-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C21H26O12 470.142426 NA MeJP NA NA +MJ069270 7-Hydroxy-2H-1-benzopyran-2-one; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C21H26O12 470.142426 NA MeJP NA NA +MJ069271 Plumieride C21H26O12 470.142426 NA MeJP NA NA +PJ002105 GCEY C19H26N4O8S 470.1472 NA PeJP NA NA +FL5FGCNI0001 2-(1,3-Benzodioxol-5-yl)-3,5,6,8-tetramethoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one C25H26O9 470.15768 244260-17-1 knapsack NA NA +MJ069272 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4'-Methylene, 3,5,6,8-tetra-Me, 7-O-(3-methyl-2-butenyl) ether C25H26O9 470.157682 NA MeJP NA NA +MJ069273 Colensoic acid; 2',2''-Dioxo C25H26O9 470.157682 NA MeJP NA NA +MJ069274 Norlobaric acid; 3-Me ether, 4'-oxo C25H26O9 470.157682 NA MeJP NA NA +MJ069275 Sakyomicin A; 2-Deoxy C25H26O9 470.157682 NA MeJP NA NA +PJ002106 PCDH C18H26N6O7S 470.1584 NA PeJP NA NA +PJ002107 CYW C23H26N4O5S 470.1624 NA PeJP NA NA +PJ002108 SSDY C19H26N4O10 470.1649 NA PeJP NA NA +PJ002109 ACMF C20H30N4O5S2 470.1658 NA PeJP NA NA +MJ069276 Danuphylline C24H26N2O8 470.168915 NA MeJP NA NA +MJ069277 Kopsaporine; 11,12-Methylenedioxy C24H26N2O8 470.168915 NA MeJP NA NA +MJ069278 Haterumalide NE; 3-Ac C23H31ClO8 470.170745 NA MeJP NA NA +MJ069279 Oocydin A C23H31ClO8 470.170745 NA MeJP NA NA +MJ069280 Docarpamine C21H30N2O8S 470.172286 NA MeJP NA NA +MJ069281 9,10-Dihydro-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]-6-methoxy-1,2,7-phenanthrenetriol C29H26O6 470.172938 NA MeJP NA NA +MJ069282 Marchantin C; 2'-Hydroxy, 7'?-methoxy C29H26O6 470.172938 NA MeJP NA NA +MJ069283 Plagiochin D; 2,14-Dihydroxy C29H26O6 470.172938 NA MeJP NA NA +PJ002110 GEEH C18H26N6O9 470.1762 NA PeJP NA NA +MJ069284 1,4,5,8,10,13-Hexahydroxy-7(11)-muurolen-12,6-olide, 13-Me ether, 5,8,10-tri-Ac C22H30O11 470.178811 NA MeJP NA NA +MJ069285 2,8-Decadiene-4,6-diyn-1-ol, O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C22H30O11 470.178811 NA MeJP NA NA +MJ069286 Antibiotic OF 4949; Antibiotic OF 4949III C23H26N4O7 470.180149 NA MeJP NA NA +PJ002111 GTMY C20H30N4O7S 470.1835 NA PeJP NA NA +PJ002112 SNNH C17H26N8O8 470.1874 NA PeJP NA NA +PJ002113 EHW C22H26N6O6 470.1914 NA PeJP NA NA +MJ069287 Cormetasone; 21-Ac C24H29F3O6 470.191623 NA MeJP NA NA +MJ069288 Froxiprost C24H29F3O6 470.191623 NA MeJP NA NA +MJ069289 6,14,15-Trihydroxy-8-drimen-12,11-olide, 6-Benzoyl,14,15-Di-Ac C26H30O8 470.194067 NA MeJP NA NA +MJ069290 Ageratoriparin C26H30O8 470.194067 NA MeJP NA NA +MJ069291 Butyrylmallotochromene C26H30O8 470.194067 NA MeJP NA NA +MJ069292 Carapolide A C26H30O8 470.194067 NA MeJP NA NA +MJ069293 Carapolide C C26H30O8 470.194067 NA MeJP NA NA +MJ069294 Carapolide D; 10,19-Dihydro, 10S-hydroxy C26H30O8 470.194067 NA MeJP NA NA +MJ069295 Cneorin D; 8-Me ether C26H30O8 470.194067 NA MeJP NA NA +MJ069296 Cycloseverinolide C26H30O8 470.194067 NA MeJP NA NA +MJ069297 Deacylkadsulignan H; O-Butanoyl C26H30O8 470.194067 NA MeJP NA NA +MJ069298 Drummondin A C26H30O8 470.194067 NA MeJP NA NA +MJ069299 Dysoxylin C26H30O8 470.194067 NA MeJP NA NA +MJ069300 Isobutyrylmallotochromene C26H30O8 470.194067 NA MeJP NA NA +MJ069301 Isophysodic acid C26H30O8 470.194067 NA MeJP NA NA +MJ069302 Limonin C26H30O8 470.194067 NA MeJP NA NA +MJ069303 Obacunol; 7-Ketone, 11?-hydroxy C26H30O8 470.194067 NA MeJP NA NA +MJ069304 Physodic acid C26H30O8 470.194067 NA MeJP NA NA +MJ069305 Tricoccin R1 C26H30O8 470.194067 NA MeJP NA NA +MJ069306 Tricoccin S2; 7-Epimer, Me ether C26H30O8 470.194067 NA MeJP NA NA +MJ069307 Tricoccin S2; 9,17-Diepimer, 9-Me ether C26H30O8 470.194067 NA MeJP NA NA +MJ069308 Tricoccin S2; Me ether C26H30O8 470.194067 NA MeJP NA NA +MetaCyc03660 limonoate D-ring-lactone [limonin;] C26H30O8 470.194068 NA metacyc NA NA +C03514 Limonin C26H30O8 470.1941 NA KEGG NA NA +C08788 Zapoterin C26H30O8 470.1941 NA KEGG NA NA +C08997 Butyrylmallotochromene C26H30O8 470.1941 NA KEGG NA NA +C09009 Isobutyrylmallotochromene C26H30O8 470.1941 NA KEGG NA NA +PJ002114 SPMH C19H30N6O6S 470.1948 NA PeJP NA NA +MJ069309 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-Sulfate C23H34O8S 470.197438 NA MeJP NA NA +MJ069310 3,14,19-Trihydroxycard-20(22)-enolide, 3-Sulfate C23H34O8S 470.197438 NA MeJP NA NA +MJ069311 Sultriecin C23H34O8S 470.197438 NA MeJP NA NA +PJ002115 STTY C20H30N4O9 470.2013 NA PeJP NA NA +MJ069312 Chanofruticosine methyl ester; 11,12-Dimethoxy C25H30N2O7 470.205301 NA MeJP NA NA +MJ069313 Moexiprilat C25H30N2O7 470.205301 NA MeJP NA NA +MJ069314 18-Chloro-4,6,19-trihydroxy-13-cleroden-15,16-olide, 6,19-Di-Ac C24H35ClO7 470.207131 NA MeJP NA NA +MJ069315 Shanciguol; 3,3'-Di-Me ether C30H30O5 470.209324 NA MeJP NA NA +PJ002116 SVEH C19H30N6O8 470.2125 NA PeJP NA NA +MJ069316 Antiarrhythmic peptide (ox atrium) C19H30N6O8 470.212511 NA MeJP NA NA +MJ069317 3,9,13-Trihydroxy-7-illuden-1-one, 9-O-(2-Acetyl-?-D-glucopyranoside) C23H34O10 470.215197 NA MeJP NA NA +PJ002117 AAFY C24H30N4O6 470.2166 NA PeJP NA NA +MJ069318 Vincamajine; O-Benzoyl C29H30N2O4 470.220557 NA MeJP NA NA +PJ002118 APHF C23H30N6O5 470.2278 NA PeJP NA NA +MJ069319 2,13,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 13-Ketone, 2-tigloyl, 14-Ac C27H34O7 470.230453 NA MeJP NA NA +MJ069320 2-(4-Carboxybutoxy)-6-[[6-(4-methoxyphenyl)-5-hexenyl]oxy]benzenepropanoic acid C27H34O7 470.230453 NA MeJP NA NA +MJ069321 3,4,6,8-Tetrahydroxy-11,13-clerodadien-15,16-olide, O6-Benzoyl C27H34O7 470.230453 NA MeJP NA NA +MJ069322 3-[3-Acetyl-5-(3,7-dimethyl-2,6-octadienyl)-2,4,6-trihydroxybenzyl]-4-hydroxy-5,6-dimethyl-2H-pyran-2-one; 6-Ethyl analogue C27H34O7 470.230453 NA MeJP NA NA +MJ069323 Andirobin; 1,2-Dihydro C27H34O7 470.230453 NA MeJP NA NA +MJ069324 Andirobin; 3?-Alcohol C27H34O7 470.230453 NA MeJP NA NA +MJ069325 Angolensic acid; Me ester C27H34O7 470.230453 NA MeJP NA NA +MJ069326 Detigloylswietenine; 6-Deoxy C27H34O7 470.230453 NA MeJP NA NA +MJ069327 Helicerastripyrone C27H34O7 470.230453 NA MeJP NA NA +MJ069328 Kushenol F; 4'',5''-Dihydro, 5''-hydroxy, 2',5-di-Me ether C27H34O7 470.230453 NA MeJP NA NA +MJ069329 Lucidenic acid D1 C27H34O7 470.230453 NA MeJP NA NA +MJ069330 Odyendene C27H34O7 470.230453 NA MeJP NA NA +MJ069331 Picrolichenic acid; Homologue (1) C27H34O7 470.230453 NA MeJP NA NA +MJ069332 Picrolichenic acid; Homologue (2) C27H34O7 470.230453 NA MeJP NA NA +MJ069333 Swietenolide; 6-Deoxy C27H34O7 470.230453 NA MeJP NA NA +MJ069334 Tricoccin S8 C27H34O7 470.230453 NA MeJP NA NA +2605 synthetic peptide inhibitors of (PEP) IHPFAQTQ 470.231 MH2+ Inhouse_peptide NA peptide +PJ002119 ALMH C20H34N6O5S 470.2312 NA PeJP NA NA +MJ069335 1,3-Octanediol, 1-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C20H38O12 470.236326 NA MeJP NA NA +MJ069336 Strychnosilidine C26H34N2O6 470.241686 NA MeJP NA NA +PJ002120 TTLH C20H34N6O7 470.2489 NA PeJP NA NA +7706 pyrokinin TENMO-PK-2 SPPFAPRLG 470.2495 MH2+ Inhouse_peptide NA peptide +MJ069337 2,3,5,6,10,14,16-Grayanotoxaneheptol, 6,14-Di-Ac C24H38O9 470.251582 NA MeJP NA NA +PJ002121 APQR C19H34N8O6 470.2602 NA PeJP NA NA +MJ069338 Echinoclathrine C; S-Ac C27H38N2O3S 470.260313 NA MeJP NA NA +C08841 Withaferin A C28H38O6 470.2668 NA KEGG NA NA +C08842 Withanolide D C28H38O6 470.2668 NA KEGG NA NA +C12149 Stigmatellin X C28H38O6 470.2668 NA KEGG NA NA +MJ069339 14,15-Epoxy-4,27-dihydroxy-1-oxowitha-2,24-dienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069340 14,20,27-Trihydroxy-1-oxowitha-3,5,24-trienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069341 14,20,28-Trihydroxy-1-oxowitha-3,5,24-trienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069342 14,20-Epoxy-3,17-dihydroxy-1-oxowitha-5,24-dienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069343 14,20-Epoxy-3,27-dihydroxy-1-oxowitha-5,24-dienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069344 19-Norpregna-1,3,5(10),20-tetraen-3-ol; O-(4-O-Acetyl-6-deoxy-?-D-galactopyranoside) C28H38O6 470.266838 NA MeJP NA NA +MJ069345 27-Deoxy-14-hydroxywithaferin A C28H38O6 470.266838 NA MeJP NA NA +MJ069346 3,17,20-Trihydroxy-1-oxowitha-5,14,24-trienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069347 3,8,12,14-Tetrahydroxypregnan-20-one, 12-Benzoyl C28H38O6 470.266838 NA MeJP NA NA +MJ069348 4,17,27-Trihydroxy-1-oxowitha-2,5,24-trienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069349 4,7,20-Trihydroxy-1-oxowitha-2,5,24-trienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069350 4a,6-Dihydroxy-A-homoazadirone; 1,2-Dihydro C28H38O6 470.266838 NA MeJP NA NA +MJ069351 5,6-Epoxy-16,17-dihydroxy-1-oxowitha-2,24-dienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069352 5,6-Epoxy-17-hydroxy-1,12-dioxowith-24-enolide C28H38O6 470.266838 NA MeJP NA NA +MJ069353 5,6-Epoxy-19,27-dihydroxy-1-oxowitha-2,24-dienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069354 5,6-Epoxy-21,27-dihydroxy-1-oxowitha-2,24-dienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069355 5,6-Epoxy-4,16-dihydroxy-1-oxowitha-2,24-dienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069356 5,6-Epoxy-4,17-dihydroxy-1-oxowitha-2,24-dienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069357 5,6-Epoxy-4,18-dihydroxy-1-oxowitha-2,24-dienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069358 5,6-Epoxy-4,20-dihydroxy-1-oxowith-24-enolide, 2,3-Didehydro, 24S,25R-dihydro, 4-ketone C28H38O6 470.266838 NA MeJP NA NA +MJ069359 5,6-Epoxy-4,20-dihydroxy-1-oxowitha-2,24-dienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069360 6,7-Epoxy-5,12-dihydroxy-1-oxowitha-2,24-dienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069361 6,7-Epoxy-5,8-dihydroxy-1-oxowitha-2,24-dienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069362 6,7-Epoxy-5-hydroxy-1-oxowitha-2,24-dienolide, 20?-Hydroxy C28H38O6 470.266838 NA MeJP NA NA +MJ069363 6,7-Epoxy-5-hydroxy-1-oxowitha-2,24-dienolide, 27-Hydroxy C28H38O6 470.266838 NA MeJP NA NA +MJ069364 7,12-Dihydroxymeliac-1-ene-3,15-dione, 1,2-Dihydro, 12-Ac C28H38O6 470.266838 NA MeJP NA NA +MJ069365 8,11,16-Trihydroxy-1-oxowitha-2,5,24-trienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069366 8,18,20-Trihydroxy-1-oxowitha-2,5,24-trienolide C28H38O6 470.266838 NA MeJP NA NA +MJ069367 8-Daucene-4,6,10-triol, 6-(4-Methoxybenzoyl), 10-angeloyl C28H38O6 470.266838 NA MeJP NA NA +MJ069368 Acnistin E; 17-epimer, 4-Deoxy C28H38O6 470.266838 NA MeJP NA NA +MJ069369 Acnistin E; 4-Deoxy C28H38O6 470.266838 NA MeJP NA NA +MJ069370 Nicalbin B C28H38O6 470.266838 NA MeJP NA NA +MJ069371 Nicandrin B C28H38O6 470.266838 NA MeJP NA NA +MJ069372 O-(3,8-Dihydroxydriman-11-yl)umbelliferone, 3'-O-2-Methylpropanoyl C28H38O6 470.266838 NA MeJP NA NA +MJ069373 Projaborol C28H38O6 470.266838 NA MeJP NA NA +MJ069374 Salpichrolide N C28H38O6 470.266838 NA MeJP NA NA +MJ069375 Withafastuosin A; 2,3-Didehydro C28H38O6 470.266838 NA MeJP NA NA +MJ069376 Withaferin A C28H38O6 470.266838 NA MeJP NA NA +MJ069377 Withametelin; 5,6-Dihydro, 5?,6?-dihydroxy C28H38O6 470.266838 NA MeJP NA NA +MJ069378 Withanolide D C28H38O6 470.266838 NA MeJP NA NA +MJ069379 Withanolide F C28H38O6 470.266838 NA MeJP NA NA +MJ069380 Withanolide G; 17?-Hydroxy C28H38O6 470.266838 NA MeJP NA NA +MJ069381 Withanolide G; 27-Hydroxy C28H38O6 470.266838 NA MeJP NA NA +MJ069382 Withanolide Q C28H38O6 470.266838 NA MeJP NA NA +MJ069383 Withanolide R C28H38O6 470.266838 NA MeJP NA NA +MJ069384 Withanolide WS1 C28H38O6 470.266838 NA MeJP NA NA +MJ069385 Withanone C28H38O6 470.266838 NA MeJP NA NA +MJ069386 Withasomniferol C C28H38O6 470.266838 NA MeJP NA NA +HMDB03218 Withanolide C28H38O6 470.266846 NA HMDB2010 NA NA +HMDB03218 Withanolide C28H38O6 470.26685 http://www.hmdb.ca/metabolites/HMDB03218 HMDB NA NA +HMDB03218 Withanolide C28H38O6 470.26685 HMDB03218 PFEM_hmdb_metabocards_official NA NA +MJ069387 Virenamide A; N-Deprenyl C26H38N4O2S 470.271547 NA MeJP NA NA +PJ002122 PLLE C22H38N4O7 470.2741 NA PeJP NA NA +MJ069388 6-Bromo-5,9-hexacosadienoic acid C26H47BrO2 470.275943 NA MeJP NA NA +PJ002123 PVQK C21H38N6O6 470.2853 NA PeJP NA NA +MJ069389 8,13-Labdadiene-6,15,17,19-tetrol, 6-O-?-L-Arabinopyranoside C25H42O8 470.287968 NA MeJP NA NA +MJ069390 Ceanothine C C26H38N4O4 470.289305 NA MeJP NA NA +MJ069391 Ceanothine D C26H38N4O4 470.289305 NA MeJP NA NA +PJ002124 APKR C20H38N8O5 470.2965 NA PeJP NA NA +MJ069392 Sambucinin C24H42N2O7 470.299201 NA MeJP NA NA +MJ069393 11,12-Epoxy-2,3-dihydroxy-24-nor-4(23)-ursen-28,13-olide C29H42O5 470.303224 NA MeJP NA NA +MJ069394 17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-ene-15,24-dione, 3-Ketone C29H42O5 470.303224 NA MeJP NA NA +MJ069395 17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione C29H42O5 470.303224 NA MeJP NA NA +MJ069396 2,3,15,22-Tetrahydroxy-24,29-dinor-1,3,5(10)-friedelatrien-21-one, 3-Me ether C29H42O5 470.303224 NA MeJP NA NA +MJ069397 2-(5-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-6-methyl-1,2-benzenediol; 10',11'-Dihydro, 12'-oxo, 5'-Ac C29H42O5 470.303224 NA MeJP NA NA +MJ069398 5,19-Epoxy-3-hydroxy-28-nor-11-oxocucurbit-24-en-26-oic acid, 3-Ketone C29H42O5 470.303224 NA MeJP NA NA +MJ069399 7-Hydroxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid C29H42O5 470.303224 NA MeJP NA NA +MJ069400 Antheridiol C29H42O5 470.303224 NA MeJP NA NA +MJ069401 Aszonapyrone A; Me ether C29H42O5 470.303224 NA MeJP NA NA +MJ069402 Cabraleahydroxylactone; 12?-Acetoxy, 1,2-didehydro, 3-ketone C29H42O5 470.303224 NA MeJP NA NA +MJ069403 Daldinin A; Daldinin A3 C29H42O5 470.303224 NA MeJP NA NA +MJ069404 Daldinin A; Daldinin A4, 3,4-Dihydro C29H42O5 470.303224 NA MeJP NA NA +MJ069405 Furoscalarol; Ac C29H42O5 470.303224 NA MeJP NA NA +MJ069406 Isogosterone A C29H42O5 470.303224 NA MeJP NA NA +MJ069407 Limocin A C29H42O5 470.303224 NA MeJP NA NA +MJ069408 Minabeolide 4; 18-Acetoxy C29H42O5 470.303224 NA MeJP NA NA +MJ069409 Nahocol A; 13'-Deoxy C29H42O5 470.303224 NA MeJP NA NA +MJ069410 Sesquicillin C29H42O5 470.303224 NA MeJP NA NA +MJ069411 Zosterondiol B C29H42O5 470.303224 NA MeJP NA NA +MJ069412 5,6,7,8-Tetrahydro-6-[[6-[[2-(2-methoxyphenoxy)ethyl]amino]hexyl]propylamino]-1,2-naphthalenediol C28H42N2O4 470.314457 NA MeJP NA NA +PJ002125 PVKK C22H42N6O5 470.3217 NA PeJP NA NA +MJ069413 13-Labdene-8,15,16-triol, 8-O-?-Fucopyranoside C26H46O7 470.324353 NA MeJP NA NA +C02283 Glycyrrhetinate C30H46O4 470.3396 NA KEGG NA NA +C03930 3alpha-Hydroxyglycyrrhetinate C30H46O4 470.3396 NA KEGG NA NA +C08950 Gypsogenin C30H46O4 470.3396 NA KEGG NA NA +HMDB11628 Glycyrrhetinic acid C30H46O4 470.3396 NA HMDB2010 NA NA +MJ069414 1,12,18,29-Triacontatetrayne-3,14,17,28-tetrol C30H46O4 470.339609 NA MeJP NA NA +MJ069415 1,3-Dihydroxy-12-oleanen-30-oic acid, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069416 11,12-Epoxy-3,13-dihydroxy-28-oleananoic acid, 28?13 Lactone C30H46O4 470.339609 NA MeJP NA NA +MJ069417 11,12-Epoxy-3-hydroxy-28,13-ursanolide C30H46O4 470.339609 NA MeJP NA NA +MJ069418 11,13(18)-Oleanadiene-3,23,28-triol, 28-Carboxylic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069419 12-Hydroxy-3-oxolanosta-8,24-dien-26-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069420 12-Hydroxy-3-oxolanosta-9(11),24-dien-26-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069421 12-Oleanene-3,22,30-triol, 30-Carboxylic acid, 22-ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069422 12-Ursene-3,21,22,28-tetrol, 28-Aldehyde, 3-ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069423 12-Ursene-3,21,28-triol, 28-Carboxylic acid, 3-ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069424 13,28-Epoxy-3,16-dihydroxy-30-oleanal, 16-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069425 14,15-Dihydro-26,29-dihydroxyspiroirida-15(28),16-dienal; 29-Deoxy C30H46O4 470.339609 NA MeJP NA NA +MJ069426 15,26,27-Trihydroxylanosta-7,9(11),24-trien-3-one C30H46O4 470.339609 NA MeJP NA NA +MJ069427 16,23:24,25-Diepoxy-11-hydroxyprotost-13(17)-en-3-one C30H46O4 470.339609 NA MeJP NA NA +MJ069428 16,23;24,25-Diepoxy-23-hydroxycycloartan-3-one C30H46O4 470.339609 NA MeJP NA NA +MJ069429 16,28-Dihydroxy-3-oxo-30-friedelanoic acid; 16?-form, 30?28 Lactone C30H46O4 470.339609 NA MeJP NA NA +MJ069430 2,3,21-Trihydroxy-12-oleanen-28-oic acid, 28 ? 21-Lactone C30H46O4 470.339609 NA MeJP NA NA +MJ069431 2,3,24-Trihydroxy-12,27-cyclo-14-taraxeren-28-oic acid, 24-Deoxy C30H46O4 470.339609 NA MeJP NA NA +MJ069432 2,3-Dihydroxy-11,13(18)-oleanadien-28-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069433 2,3-Dihydroxy-12,18-ursadien-28-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069434 2,3-Dihydroxy-12,20(30)-ursadien-28-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069435 2,3-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069436 2,3-Dihydroxy-12-ursen-28-oic acid, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069437 2,3-Dihydroxy-5,12-oleanadien-28-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069438 2-Hydroxy-3-oxo-12-oleanen-30-oic acid; 2?-form C30H46O4 470.339609 NA MeJP NA NA +MJ069439 20(29)-Lupene-3,23,28-triol, 28-Carboxylic acid, 3-ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069440 21,23-Epoxy-21,22-dihydroxycycloart-24-en-3-one C30H46O4 470.339609 NA MeJP NA NA +MJ069441 22,29-Dihydroxytirucalla-7,24-diene-3,23-dione C30H46O4 470.339609 NA MeJP NA NA +MJ069442 23,25-Epidioxy-16,23-epoxycycloartan-3-one C30H46O4 470.339609 NA MeJP NA NA +MJ069443 24,25-Epoxy-23-hydroxyprotost-13(17)-ene-3,16-dione C30H46O4 470.339609 NA MeJP NA NA +MJ069444 25-Hydroxy-13(17)-protostene-3,16,23-trione C30H46O4 470.339609 NA MeJP NA NA +MJ069445 26-Hydroxy-1,3-friedelanedione; 26-Carboxylic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069446 26-Hydroxy-13-oxaspiroirid-16-enal; 26-Deoxy C30H46O4 470.339609 NA MeJP NA NA +MJ069447 26-Hydroxy-15-methylidenespiroirid-16-enal C30H46O4 470.339609 NA MeJP NA NA +MJ069448 27(14?15)-Abeo-2,3-dihydroxy-24-nor-4(23),12-ursadien-28-oic acid, Me ester C30H46O4 470.339609 NA MeJP NA NA +MJ069449 28-Hydroxy-3-oxocycloart-24-en-26-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069450 29-Hydroxy-3-oxotirucalla-7,24-dien-21-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069451 3,11-Dihydroxy-12-ursen-24-oic acid, 11-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069452 3,11-Dihydroxy-12-ursen-28-oic acid, 11-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069453 3,11-Dihydroxy-12-ursen-28-oic acid, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069454 3,11-Dihydroxy-20(22),24-dammaradiene-2,23-dione C30H46O4 470.339609 NA MeJP NA NA +MJ069455 3,12,13-Trihydroxy-28-oleananoic acid, 3-Ketone, 28?12 lactone C30H46O4 470.339609 NA MeJP NA NA +MJ069456 3,12,13-Trihydroxy-28-oleananoic acid, 3-Ketone, 28?13 lactone C30H46O4 470.339609 NA MeJP NA NA +MJ069457 3,13,27-Trihydroxy-18-ursen-28-oic acid, 28?13 Lactone C30H46O4 470.339609 NA MeJP NA NA +MJ069458 3,13-Dihydroxy-11-oleanen-28-oic acid, 11?,12?-Epoxide, 28?13-lactone C30H46O4 470.339609 NA MeJP NA NA +MJ069459 3,13-Dihydroxy-11-oleanen-28-oic acid; 3?-form, 11?,12?-Epoxide, 28?13 lactone C30H46O4 470.339609 NA MeJP NA NA +MJ069460 3,13-Dihydroxy-23-oxo-28-oleananoic acid, 28?13 Lactone C30H46O4 470.339609 NA MeJP NA NA +MJ069461 3,15,16-Trihydroxy-12-oleanen-28-oic acid, 28?15 Lactone C30H46O4 470.339609 NA MeJP NA NA +MJ069462 3,15,22-Trihydroxy-12-oleanen-28-oic acid, 28?15 Lactone C30H46O4 470.339609 NA MeJP NA NA +MJ069463 3,15-Dihydroxylanosta-7,9(11),24-trien-26-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069464 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone C30H46O4 470.339609 NA MeJP NA NA +MJ069465 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069466 3,16-Dihydroxy-8-fernene-7,11-dione C30H46O4 470.339609 NA MeJP NA NA +MJ069467 3,16-Dihydroxylanosta-7,9(11),24-trien-21-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069468 3,16-Dihydroxylanosta-8,24-dien-21-oic acid, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069469 3,19-Dihydroxy-12,20(30)-ursadien-28-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069470 3,19-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069471 3,19-Dihydroxy-12-ursen-28-oic acid, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069472 3,19-Dihydroxy-5,12-ursadien-28-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069473 3,19-Epoxy-3-hydroxy-20,24-dammaradien-26-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069474 3,21,30-Trihydroxy-12-oleanen-28-oic acid, 28?21 Lactone C30H46O4 470.339609 NA MeJP NA NA +MJ069475 3,21-Dihydroxy-11,13(18)-oleanadien-28-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069476 3,21-Dihydroxy-11,13(18)-oleanadien-29-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069477 3,21-Dihydroxy-12-oleanen-28-oic acid, 21-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069478 3,21-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 21-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069479 3,21-Dihydroxy-20(29)-lupen-28-oic acid, 21-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069480 3,21-Dihydroxy-9(11),12-oleanadien-29-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069481 3,22-Dihydroxy-12-oleanen-29-oic acid, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069482 3,22-Dihydroxylanosta-7,9(11),24-trien-26-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069483 3,23-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069484 3,23-Dihydroxy-12-ursen-28-oic acid, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069485 3,23-Dihydroxycycloart-24-en-26-oic acid, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069486 3,24-Dihydroxy-12-oleanen-28-oic acid, 24-Aldehyde C30H46O4 470.339609 NA MeJP NA NA +MJ069487 3,24-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069488 3,24-Dihydroxy-12-ursen-28-oic acid, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069489 3,24-Dihydroxy-9(11),12-oleanadien-30-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069490 3,24-Dioxo-29-friedelanoic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069491 3,25-Dihydroxy-12-oleanen-30-oic acid, 25-Aldehyde C30H46O4 470.339609 NA MeJP NA NA +MJ069492 3,25-Dihydroxy-12-oleanen-30-oic acid, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069493 3,25-Dihydroxy-18-oleanen-30-oic acid, 25-Aldehyde C30H46O4 470.339609 NA MeJP NA NA +MJ069494 3,25-Epoxy-3-hydroxy-12-oleanen-28-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069495 3,27-Dihydroxy-12-oleanen-28-oic acid, 27-Aldehyde C30H46O4 470.339609 NA MeJP NA NA +MJ069496 3,27-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069497 3,27-Dihydroxy-12-ursen-28-oic acid, 27-Aldehyde C30H46O4 470.339609 NA MeJP NA NA +MJ069498 3,28-Dihydroxy-12,20-ursadien-23-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069499 3,29-Dihydroxy-12-oleanen-27-oic acid; 3?-form, 29-Aldehyde C30H46O4 470.339609 NA MeJP NA NA +MJ069500 3,29-Dihydroxy-12-oleanen-28-oic acid, 29-Aldehyde C30H46O4 470.339609 NA MeJP NA NA +MJ069501 3,29-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069502 3,30-Dihydroxy-12-oleanen-28-oic acid, 30-Aldehyde C30H46O4 470.339609 NA MeJP NA NA +MJ069503 3,30-Dihydroxy-20(29)-lupen-28-oic acid, 29-Aldehyde C30H46O4 470.339609 NA MeJP NA NA +MJ069504 3,30-Dihydroxy-20(29)-lupen-28-oic acid, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069505 3,4-Seco-4(23),12-oleanadiene-3,29-dioic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069506 3,4-Seco-4(23),12-oleanadiene-3,30-dioic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069507 3,4-Seco-4(23),7-multifloradiene-3,29-dioic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069508 3,4-Seco-4(23),8-multifloradiene-3,29-dioic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069509 3,4-Secocycloarta-4(28),24-diene-3,26-dioic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069510 3,4-Secodammara-4(28),20,24-triene-3,26-dioic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069511 3,4-Secolanosta-4(28),8,24-triene-3,21-dioic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069512 3,4-Secotirucalla-4(28),7,24-triene-3,21-dioic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069513 3,4-Secotirucalla-4(28),7,24-triene-3,26-dioic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069514 3,6-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069515 3,6-Dihydroxy-18-oleanen-28-oic acid, 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069516 3-Hydroxy-1-oxo-12-oleanen-28-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069517 3-Hydroxy-11-oxo-12-oleanen-28-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069518 3-Hydroxy-11-oxo-12-oleanen-29-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069519 3-Hydroxy-11-oxo-12-oleanen-30-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069520 3-Hydroxy-12-oxo-9(11)-oleanen-28-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069521 3-Hydroxy-2-oxo-12-oleanen-30-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069522 3-Hydroxy-2-oxo-3-friedelen-29-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069523 3-Hydroxy-21-oxoeupha-8,24-dien-26-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069524 3-Hydroxy-23-oxo-12-oleanen-28-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069525 3-Hydroxy-23-oxocycloart-24-en-28-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069526 3-Hydroxy-23-oxolanosta-9(11),16-dien-26-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069527 3-Hydroxyholost-9(11)-en-23-one C30H46O4 470.339609 NA MeJP NA NA +MJ069528 4-Hydroxy-3,4-seco-12-oleanene-3,28-dioic acid; 5?H-form, 3?4-Lactone C30H46O4 470.339609 NA MeJP NA NA +MJ069529 4-Hydroxy-3,4-seco-12-oleanene-3,28-dioic acid; 5à H-form, 3?4 Lactone C30H46O4 470.339609 NA MeJP NA NA +MJ069530 6,28-Dihydroxy-12-oleanene-3,11-dione C30H46O4 470.339609 NA MeJP NA NA +MJ069531 6,28-Dihydroxy-12-ursene-3,11-dione C30H46O4 470.339609 NA MeJP NA NA +MJ069532 6,28-Dihydroxy-20(29)-lupen-3-one, 28-Carboxylic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069533 6,28-Dihydroxy-20(29)-lupen-3-one; 6?-form, 28-Carboxylic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069534 6-Hydroxy-3,16,21-friedelanetrione C30H46O4 470.339609 NA MeJP NA NA +MJ069535 9-Hydroxy-3-oxo-12-ursen-28-oic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069536 Abiesolidic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069537 Ailanthol C30H46O4 470.339609 NA MeJP NA NA +MJ069538 Colubrinic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069539 Coronalolic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069540 Cycloorbigenin A C30H46O4 470.339609 NA MeJP NA NA +MJ069541 Dysonone B C30H46O4 470.339609 NA MeJP NA NA +MJ069542 Gouanogenin A C30H46O4 470.339609 NA MeJP NA NA +MJ069543 Holost-7-ene-3,23-diol, 25,26-Didehydro C30H46O4 470.339609 NA MeJP NA NA +MJ069544 Holosta-8,25-dien-3-ol C30H46O4 470.339609 NA MeJP NA NA +MJ069545 Holothurinogenin C30H46O4 470.339609 NA MeJP NA NA +MJ069546 Hyptadienic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069547 Kadsuric acid C30H46O4 470.339609 NA MeJP NA NA +MJ069548 Koellikerigenin C30H46O4 470.339609 NA MeJP NA NA +MJ069549 Kulonic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069550 Lansic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069551 Lantabetulic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069552 Lantic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069553 Limatulone C30H46O4 470.339609 NA MeJP NA NA +MJ069554 Manwuweizic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069555 Mariesiic acid A C30H46O4 470.339609 NA MeJP NA NA +MJ069556 Mariesiic acid B C30H46O4 470.339609 NA MeJP NA NA +MJ069557 Melianol; 1,2-Didehydro C30H46O4 470.339609 NA MeJP NA NA +MJ069558 Melianol; 3-Ketone C30H46O4 470.339609 NA MeJP NA NA +MJ069559 Mispyric acid C30H46O4 470.339609 NA MeJP NA NA +MJ069560 Naurol A C30H46O4 470.339609 NA MeJP NA NA +MJ069561 Neokadsuranic acid C C30H46O4 470.339609 NA MeJP NA NA +MJ069562 Nimbocinone C30H46O4 470.339609 NA MeJP NA NA +MJ069563 Semimoronic acid C30H46O4 470.339609 NA MeJP NA NA +MJ069564 Simplexol C30H46O4 470.339609 NA MeJP NA NA +MJ069565 Sodwanone R C30H46O4 470.339609 NA MeJP NA NA +MJ069566 Stoloniferone B; 22,23-Dihydro, Ac C30H46O4 470.339609 NA MeJP NA NA +MJ069567 Stryphnodendron Saponin K C30H46O4 470.339609 NA MeJP NA NA +MJ069568 Testudinariol A C30H46O4 470.339609 NA MeJP NA NA +MJ069569 ?-Ilexanolic acid C30H46O4 470.339609 NA MeJP NA NA +MetaCyc03661 glycyrrhetinate [] C30H46O4 470.33961 1449-05-4 metacyc NA NA +MetaCyc03662 3-α-hydroxyglycyrrhetinate [] C30H46O4 470.33961 NA metacyc NA NA +PJ002126 LLLL C24H46N4O5 470.3468 NA PeJP NA NA +MJ069570 Pachystermine A; 16?-Hydroxy, 2,3-didehydro C29H46N2O3 470.350843 NA MeJP NA NA +C13044 Tricaprilin C27H50O6 470.3607 NA KEGG NA NA +C13045 Transferred to D01588 C27H50O6 470.3607 NA KEGG NA NA +C13046 Transferred to D01589 C27H50O6 470.3607 NA KEGG NA NA +C13047 Transferred to D01590 C27H50O6 470.3607 NA KEGG NA NA +HMDB11187 TG(8:0/8:0/8:0) C27H50O6 470.360748 NA HMDB2010 NA NA +MJ069591 Lithocarpdiol; 3-Ketone C31H50O3 470.3759 NA MeJP NA NA +EUR009 phylloquinone C31H50O3 470.375995 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR009 phylloquinone C31H50O3 470.375995 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR009 phylloquinone C31H50O3 470.375995 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR009 phylloquinone C31H50O3 470.375995 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR009 phylloquinone C31H50O3 470.375995 Wishlist HMDB NA NA +EUR009 phylloquinone C31H50O3 470.375995 Wishlist Inhouse_PFEM NA NA +MJ069571 14-Serratene-3,21,29-triol, 3-Me ether, 29-aldehyde C31H50O3 470.375995 NA MeJP NA NA +MJ069572 14-Serratene-3,21,30-triol, 21-Ketone, 3-Me ether C31H50O3 470.375995 NA MeJP NA NA +MJ069573 14-Serratene-3,21,30-triol, 30-Aldehyde, 3-Me ether C31H50O3 470.375995 NA MeJP NA NA +MJ069574 14-Serratene-3,21-diol, 21-Ketone, 3-Me ether, 14?,15?-epoxide C31H50O3 470.375995 NA MeJP NA NA +MJ069575 20(29)-Lupene-3,24-diol, 24-Carboxylic acid, Me ester C31H50O3 470.375995 NA MeJP NA NA +MJ069576 20,24-Epoxy-3,4-seco-4(28),25-dammaradien-3-oic acid, Me ester C31H50O3 470.375995 NA MeJP NA NA +MJ069577 21,24-Epoxy-3-hydroxy-24-methyllanost-9(11)-en-2-one C31H50O3 470.375995 NA MeJP NA NA +MJ069578 24-Methylenelanost-8-ene-3,21-diol, 21-Carboxylic acid C31H50O3 470.375995 NA MeJP NA NA +MJ069579 3,13-Dihydroxy-11-ursen-28-oic acid, 28-Alcohol, 3-ketone, 28-Me ether C31H50O3 470.375995 NA MeJP NA NA +MJ069580 3,21-Dihydroxy-14-serraten-16-one, 3-Me ether C31H50O3 470.375995 NA MeJP NA NA +MJ069581 3,28-Friedelanediol; 3?-form, 3-Ketone, 28-carboxylic acid, Me ester C31H50O3 470.375995 NA MeJP NA NA +MJ069582 3-Hydroxy-12-ursen-28-oic acid, Me ester C31H50O3 470.375995 NA MeJP NA NA +MJ069583 3-Hydroxy-18-oleanen-28-oic acid; 3?-form, Me ester C31H50O3 470.375995 NA MeJP NA NA +MJ069584 3-Hydroxy-20(29)-lupen-28-oic acid, Me ester C31H50O3 470.375995 NA MeJP NA NA +MJ069585 3-Hydroxycycloartan-26,23-olide, 3-Me ether C31H50O3 470.375995 NA MeJP NA NA +MJ069586 3-Hydroxylanosta-7,24-dien-26,23-olide, 3-Me ether, 24,25R-dihydro C31H50O3 470.375995 NA MeJP NA NA +MJ069587 5,19-Epoxycucurbita-6,23-diene-3,25-diol, O25-Me C31H50O3 470.375995 NA MeJP NA NA +MJ069588 Alnuselide C31H50O3 470.375995 NA MeJP NA NA +MJ069589 Ambolic acid C31H50O3 470.375995 NA MeJP NA NA +MJ069590 Iripallidal; 26-Deoxy C31H50O3 470.375995 NA MeJP NA NA +MJ069592 Pisolactone C31H50O3 470.375995 NA MeJP NA NA +MJ069593 Polyporenic acid D C31H50O3 470.375995 NA MeJP NA NA +MJ069594 Reduced Vitamin K C31H50O3 470.375995 NA MeJP NA NA +EUR009 phylloquinone C31H50O3 470.375995 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR009 phylloquinone C31H50O3 470.375995 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR009 phylloquinone C31H50O3 470.376 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR009 phylloquinone C31H50O3 470.376 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR009 phylloquinone C31H50O3 470.376 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR009 phylloquinone C31H50O3 470.376 Wishlist Inhousejuil11 NA NA +C14495 Eburicoic acid C31H50O3 470.376 NA KEGG NA NA +HMDB04198 Reduced Vitamin K (phylloquinone) C31H50O3 470.376007 NA HMDB2010 NA NA +HMDB04198 Reduced Vitamin K (phylloquinone) C31H50O3 470.37601 http://www.hmdb.ca/metabolites/HMDB04198 HMDB NA NA +HMDB04198 Reduced Vitamin K (phylloquinone) C31H50O3 470.37601 HMDB04198 PFEM_hmdb_metabocards_official NA NA +MJ069595 Cycloxobuxine I; N20,N20-Di-Me, N3-(2-methylpropanoyl) C30H50N2O2 470.387228 NA MeJP NA NA +MJ069596 Petrosine C30H50N2O2 470.387228 NA MeJP NA NA +MJ069597 Pseudobaleabuxine F C30H50N2O2 470.387228 NA MeJP NA NA +HMDB03442 Cholesteryl pentanoate C32H54O2 470.41238 http://www.hmdb.ca/metabolites/HMDB03442 HMDB NA NA +MJ069598 12-Ursene-3,11-diol, 11-Et ether C32H54O2 470.41238 NA MeJP NA NA +MJ069599 14,17,20,23,26-Dotriacontapentaenoic acid C32H54O2 470.41238 NA MeJP NA NA +MJ069600 14-Serratene-3,21-diol, Di-Me ether C32H54O2 470.41238 NA MeJP NA NA +MJ069601 22-Hopanol; Ac C32H54O2 470.41238 NA MeJP NA NA +MJ069602 24-Ethylidenelanost-8-ene-3,22-diol C32H54O2 470.41238 NA MeJP NA NA +MJ069603 24-Hydroxy-24,25-dimethyllanost-9(11)-en-3-one C32H54O2 470.41238 NA MeJP NA NA +MJ069604 29-Hopaneacetic acid C32H54O2 470.41238 NA MeJP NA NA +MJ069605 29-Hopanol, Ac C32H54O2 470.41238 NA MeJP NA NA +MJ069606 3,4-Secodammara-4,24-dien-3-ol; Ac C32H54O2 470.41238 NA MeJP NA NA +MJ069607 3-Friedelanol, Ac C32H54O2 470.41238 NA MeJP NA NA +MJ069608 3-Friedelanol; 3?-form, Ac C32H54O2 470.41238 NA MeJP NA NA +MJ069609 3-Gammaceranol, Ac C32H54O2 470.41238 NA MeJP NA NA +MJ069610 3-Hopanol, Ac C32H54O2 470.41238 NA MeJP NA NA +MJ069611 9(11)-Lemmaphyllen-3-ol, Ac C32H54O2 470.41238 NA MeJP NA NA +MJ069612 Cycloartanol; Ac C32H54O2 470.41238 NA MeJP NA NA +MJ069613 Homohopanoic acid C32H54O2 470.41238 NA MeJP NA NA +HMDB03442 Cholesteryl pentanoate C32H54O2 470.41238 HMDB03442 PFEM_hmdb_metabocards_official NA NA +HMDB03442 CE(5:0) C32H54O2 470.412384 NA HMDB2010 NA NA +C08627 Hopane-29-acetate C32H54O2 470.4124 NA KEGG NA NA +5477 antibacterial peptide from cathepsin G (human) HPQYNQR 470.71645 MH2+ Inhouse_peptide NA peptide +2923 neuropeptide from eyestalk of Macrobrachium rosenb APALRLRF~ 470.79 MH2+ Inhouse_peptide NA peptide +MJ069614 Tiotropium(1+); Bromide C19H22BrNO4S2 471.017362 NA MeJP NA NA +C08103 Cefmetazole C15H17N7O5S3 471.0453 NA KEGG NA NA +MJ069615 Cefmetazole C15H17N7O5S3 471.045328 NA MeJP NA NA +MJ069616 Cefotaxime; S5-Oxide C16H17N5O8S2 471.051853 NA MeJP NA NA +C15625 GW 0742 C21H17F4NO3S2 471.0586 NA KEGG NA NA +MJ069617 Clamikalant C19H22ClN3O5S2 471.068939 NA MeJP NA NA +PJ002127 GSCCC C14H25N5O7S3 471.0916 NA PeJP NA NA +MJ069618 Eptaplatin C11H20N2O6Pt 471.09691 NA MeJP NA NA +MJ069619 Zeniplatin C11H20N2O6Pt 471.09691 NA MeJP NA NA +MJ069620 3-[2-[2-Chloro-4-[[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methoxy]phenyl]ethenyl]benzoic acid C28H22ClNO4 471.123735 NA MeJP NA NA +MJ069621 Rufulamide C22H21N3O9 471.127779 NA MeJP NA NA +MJ069622 Oximonam; 2-(1,1-Dimethylethoxy)-2-oxoethyl ester C18H25N5O8S 471.142383 NA MeJP NA NA +C03204 10-Formyldihydrofolate C20H21N7O7 471.1502 NA KEGG NA NA +HMDB06485 10-formyldihydrofolate C20H21N7O7 471.150238 NA HMDB2010 NA NA +MetaCyc03663 10-formyldihydrofolate [] C20H21N7O7 471.150246 NA metacyc NA NA +MJ069623 1,2,9-Trihydroxydibenz[cd,f]indol-4(5H)-one; Tri-Me ether, N-?-D-glucopyranosyl C24H25NO9 471.152931 NA MeJP NA NA +MJ069624 Sevanine; O-?-D-Glucopyranoside C24H25NO9 471.152931 NA MeJP NA NA +PJ002128 SNDH C17H25N7O9 471.1714 NA PeJP NA NA +PJ002129 GQMH C18H29N7O6S 471.19 NA PeJP NA NA +MJ069625 2-Amino-2-deoxy-?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?2)-L-rhamnose C18H33NO13 471.19519 NA MeJP NA NA +MJ069626 ?-L-Rhamnopyranosyl-(1?3)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?2)-L-rhamnose C18H33NO13 471.19519 NA MeJP NA NA +PJ002130 GSPPD C19H29N5O9 471.1966 NA PeJP NA NA +MJ069627 1-[(4-Chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-?,?-dimethyl-5-(1-methylethyl)-1H-indole-2-propanoic acid C27H34ClNO2S 471.199877 NA MeJP NA NA +PJ002131 GCHR C17H29N9O5S 471.2013 NA PeJP NA NA +MJ069628 Dabigatran C25H25N7O3 471.201887 NA MeJP NA NA +PJ002132 STQH C18H29N7O8 471.2078 NA PeJP NA NA +MJ069629 Sinapine; O-?-D-Glucopyranoside C22H34NO10(+) 471.210446 NA MeJP NA NA +MJ069630 Seganserin C29H27F2N3O 471.212218 NA MeJP NA NA +PJ002133 PPQM C20H33N5O6S 471.2152 NA PeJP NA NA +C01610 Puromycin C22H29N7O5 471.223 NA KEGG NA NA +C01612 Secondary alcohol CH2OR2 471.223 NA KEGG NA NA +MJ069631 Puromycin C22H29N7O5 471.223017 NA MeJP NA NA +MetaCyc03664 puromycin [] C22H29N7O5 471.223017 NA metacyc NA NA +MJ069632 Hetisan-2,11,13,14-tetrol, 2,11,13-Tri-Ac C26H33NO7 471.225702 NA MeJP NA NA +PJ002134 PPCR C19H33N7O5S 471.2264 NA PeJP NA NA +PJ002135 PVQE C20H33N5O8 471.2329 NA PeJP NA NA +PJ002136 APER C19H33N7O7 471.2442 NA PeJP NA NA +MJ069633 Lanomycin; N-?-D-Glucopyranosyl C23H37NO9 471.246831 NA MeJP NA NA +PJ002137 GPLW C24H33N5O5 471.2482 NA PeJP NA NA +PJ002138 PPKM C21H37N5O5S 471.2516 NA PeJP NA NA +MJ069634 Tubulosine, 1',2',3',4'-Tetradehydro C29H33N3O3 471.252191 NA MeJP NA NA +EUR812 Lyso PE 14:0 [M+FA-H]- C19H40NO7P 471.259122 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR812 Lyso PE 14:0 [M+FA-H]- C19H40NO7P 471.259122 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR812 Lyso PE 14:0 [M+FA-H]- C19H40NO7P 471.259122 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR812 Lyso PE 14:0 [M+FA-H]- C19H40NO7P 471.259122 masses lipides attendues Inhousejuil11 NA NA +MJ069635 Antibiotic AD 26-1; 5-O-Carbamoyl C27H37NO6 471.262087 NA MeJP NA NA +MJ069636 Icumazole F C27H37NO6 471.262087 NA MeJP NA NA +MJ069637 Memnobotrin A; N-(2-Hydroxyethyl) C27H37NO6 471.262087 NA MeJP NA NA +MJ069638 Yuzurimine; Deoxy C27H37NO6 471.262087 NA MeJP NA NA +PJ002139 PVKE C21H37N5O7 471.2693 NA PeJP NA NA +MJ069639 Amantanium(1+); Bromide C25H46BrNO2 471.271192 NA MeJP NA NA +PJ002140 SPLR C20H37N7O6 471.2806 NA PeJP NA NA +PJ002141 VLLQ C22H41N5O6 471.3057 NA PeJP NA NA +8113 peptide derived from sardinelle by-products proteins (Sardinella aurita) LARL 471.306 neuropeptide Inhouse_peptide NA peptide +C07463 Terfenadine C32H41NO2 471.3137 NA KEGG NA NA +MJ069640 Terfenadine C32H41NO2 471.313729 NA MeJP NA NA +PJ002142 ALLR C21H41N7O5 471.3169 NA PeJP NA NA +MJ069641 Korsine; O20-Ac C29H45NO4 471.334858 NA MeJP NA NA +MJ069642 Piericidin; Piericidin A4, 10'-Me ether C29H45NO4 471.334858 NA MeJP NA NA +MJ069643 Veralosidinine C29H45NO4 471.334858 NA MeJP NA NA +HMDB06510 Cervonyl carnitine C29H45NO4 471.334869 NA HMDB2010 NA NA +HMDB06510 Cervonyl carnitine C29H45NO4 471.33487 http://www.hmdb.ca/metabolites/HMDB06510 HMDB NA NA +HMDB06510 Cervonyl carnitine C29H45NO4 471.33487 HMDB06510 PFEM_hmdb_metabocards_official NA NA +PJ002143 VLLK C23H45N5O5 471.3421 NA PeJP NA NA +MJ069644 Dysideathiazole; N-Me C14H18Cl6N2OS 471.9271 NA MeJP NA NA +MJ069645 Mercury(II) cyanide oxide C2Hg2N2O 471.942313 NA MeJP NA NA +MJ069646 Dysamide A; 4''-Hydroxy, 1',3-didehydro(E-), C14H18Cl6N2O3 471.944858 NA MeJP NA NA +MJ069647 Dysamide A; 6?-Hydroxy, 1',3-didehydro(E-) C14H18Cl6N2O3 471.944858 NA MeJP NA NA +MJ069648 Dysamide A; 6?-Hydroxy, 1',3-didehydro(Z-) C14H18Cl6N2O3 471.944858 NA MeJP NA NA +MJ069649 2,5-Bis(6-bromo-3-indolyl)piperazine C20H18Br2N4 471.989821 NA MeJP NA NA +MJ069650 2,10-Dibromo-3-chloro-5,7-chamigranediol; 5-Ac C17H27Br2ClO3 472.001547 NA MeJP NA NA +MJ069651 Caespitol; Ac C17H27Br2ClO3 472.001547 NA MeJP NA NA +MJ069652 Fumarprotocetraric acid C22H16O12 472.064175 NA MeJP NA NA +MJ069653 Neoclauxin C26H16O9 472.079432 NA MeJP NA NA +MJ069654 Oganomycin GG C16H20N6O7S2 472.083488 NA MeJP NA NA +MJ069655 5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 7-Me ether, 5-O-(6-O-malonyl-?-D-glucopyranoside) C19H20O14 472.085305 NA MeJP NA NA +MJ069656 Folipastatin; 7-Bromo, 3-Me ether C24H25BrO5 472.088536 NA MeJP NA NA +MJ069657 Bofumustine C18H21ClN4O9 472.099705 NA MeJP NA NA +FL63AGNS0005 Epigallocatechin 3-O-(3-O-methylgallate) C23H20O11 472.10056 83104-87-4 knapsack NA NA +MJ069658 3,3',4',5,5',7-Hexahydroxyflavan, 3-O-(3,4-Dihydroxy-5-methoxybenzoyl) C23H20O11 472.100561 NA MeJP NA NA +MJ069659 Tetracenomycin C C23H20O11 472.100561 NA MeJP NA NA +C06801 Tetracenomycin C C23H20O11 472.1006 NA KEGG NA NA +MJ069660 Bromovulone I; Iodine analogue C21H29IO4 472.111052 NA MeJP NA NA +C06491 Compound WIN VIII C21H26Cl2N2O6 472.1168 NA KEGG NA NA +MJ069661 6,7-Dihydroxy-2H-1-benzopyran-2-one; 6-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C20H24O13 472.12169 NA MeJP NA NA +MJ069662 6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C20H24O13 472.12169 NA MeJP NA NA +MJ069663 Clofazimine C27H22Cl2N4 472.122152 NA MeJP NA NA +C06915 Clofazimine C27H22Cl2N4 472.1222 NA KEGG NA NA +FLIA1AGS0011 Formononetin 7-O-(6''-acetylglcoside) C24H24O10 472.13694 120727-10-8 knapsack NA NA +MJ069664 3-(4-Hydroxyphenyl)-2-propenoic acid, O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C24H24O10 472.136946 NA MeJP NA NA +MJ069665 4-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-2-naphthalenecarboxylic acid; 6-Me ether, 7-O-?-L-rhamnopyranoside C24H24O10 472.136946 NA MeJP NA NA +MJ069666 7-Hydroxy-4'-methoxyisoflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) C24H24O10 472.136946 NA MeJP NA NA +MJ069667 ?-D-Glucopyranuronosyl-(1?2)-?-D-xylopyranosyl-(1?4)-D-xylose; O4''-Me C17H28O15 472.14282 NA MeJP NA NA +PJ002144 GCMY C19H28N4O6S2 472.145 NA PeJP NA NA +MJ069668 Cefathiamidine C19H28N4O6S2 472.145026 NA MeJP NA NA +MJ069669 9-Benzoyl-2,3-dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-5-phenyl-7H-furo[3,2-g]-1-benzopyran-7-one C28H24O7 472.152203 NA MeJP NA NA +MJ069670 Amurensin A C28H24O7 472.152203 NA MeJP NA NA +MJ069671 Hamilxanthene A C28H24O7 472.152203 NA MeJP NA NA +MJ069672 Hassmarin C28H24O7 472.152203 NA MeJP NA NA +MJ069673 Leachianol F C28H24O7 472.152203 NA MeJP NA NA +MJ069674 Leiocarpin B C28H24O7 472.152203 NA MeJP NA NA +MJ069675 Marchantin C; 2',7?,12-Trihydroxy C28H24O7 472.152203 NA MeJP NA NA +MJ069676 Tricuspidatol A C28H24O7 472.152203 NA MeJP NA NA +PJ002145 SDDH C17H24N6O10 472.1554 NA PeJP NA NA +MJ069677 Dexamethasone; 21-Sulfate C22H29FO8S 472.156716 NA MeJP NA NA +MJ069678 1-O-Cinnamoylglucose; 6-O-?-D-Glucopyranosyl C21H28O12 472.158076 NA MeJP NA NA +MJ069679 3-O-?-L-Arabinofuranosyl-D-xylose; ?-Pyranose-form, 2'-Me ether, 5'-O-(4-hydroxy-3-methoxycinnamoyl)(E) C21H28O12 472.158076 NA MeJP NA NA +MJ069680 3-O-?-L-Arabinofuranosyl-D-xylose; ?-Pyranose-form, 2'-Me ether, 5'-O-(4-hydroxy-3-methoxycinnamoyl)(Z-) C21H28O12 472.158076 NA MeJP NA NA +MJ069681 3-O-?-L-Rhamnopyranosyl-D-glucose; 4-O-(4-Hydroxy-E-cinnamoyl) C21H28O12 472.158076 NA MeJP NA NA +MJ069682 5-(2-Propenyl)-1,2,4-benzenetriol; 1,2-Methylene ether, 4-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H28O12 472.158076 NA MeJP NA NA +MJ069683 5-(2-Propenyl)-1,2,4-benzenetriol; 1,2-Methylene ether, 4-O-[?-L-arabinofuranosyl-(1?6)-?-D-glucopyranoside] C21H28O12 472.158076 NA MeJP NA NA +MJ069684 6-O-?-L-Rhamnopyranosyl-D-glucose; Pyranose-form, 1-O-(4-Hydroxycinnamoyl) C21H28O12 472.158076 NA MeJP NA NA +MJ069685 Allamcidin B; 1-O-?-D-Glucopyranoside C21H28O12 472.158076 NA MeJP NA NA +MJ069686 Sucrose; 6-O-Cinnamoyl(E-) C21H28O12 472.158076 NA MeJP NA NA +MJ069687 Antibiotic OF 4949; Antibiotic OF 4949II C22H24N4O8 472.159413 NA MeJP NA NA +MJ069688 Fluoromethotrexate C20H21FN8O5 472.161894 NA MeJP NA NA +PJ002146 STCY C19H28N4O8S 472.1628 NA PeJP NA NA +MJ069689 Dexamethasone; 21-Phosphate C22H30FO8P 472.166232 NA MeJP NA NA +MJ069690 Dopamine; N-[3-(Carboxyacetylamino)propanoyl], 3-O-?-D-glucopyranoside C20H28N2O11 472.169309 NA MeJP NA NA +FLIAALNF0008 Lupinisoflavone N C25H28O9 472.17333 128778-66-5 knapsack NA NA +MJ069691 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Me ether, 13-O-(3-formylphenyl), 8-Ac C25H28O9 472.173332 NA MeJP NA NA +MJ069692 12-O-Acetyl-17-acetoxy-15-epicoleon Z; 17-De-Ac, 17-formyl C25H28O9 472.173332 NA MeJP NA NA +MJ069693 Glomelliferic acid; 2'''-Oxo C25H28O9 472.173332 NA MeJP NA NA +MJ069694 Lupinisoflavone M; 2'-Hydroxy C25H28O9 472.173332 NA MeJP NA NA +MJ069695 Naphthopyranomycin C25H28O9 472.173332 NA MeJP NA NA +PJ002147 GEMH C18H28N6O7S 472.174 NA PeJP NA NA +PJ002148 GCFF C23H28N4O5S 472.1781 NA PeJP NA NA +MJ069696 ?-D-Mannopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-L-rhamnose C18H32O14 472.179205 NA MeJP NA NA +MJ069697 ?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-L-rhamnose C18H32O14 472.179205 NA MeJP NA NA +MJ069698 Digilanidotriose C18H32O14 472.179205 NA MeJP NA NA +MJ069699 Strophanthobiose; Pyranose-form, 3-De-Me, 6'-?-D-glucopyranosyl C18H32O14 472.179205 NA MeJP NA NA +MJ069700 Viridotriose C C18H32O14 472.179205 NA MeJP NA NA +MJ069701 ?-D-Fucopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-D-mannose C18H32O14 472.179205 NA MeJP NA NA +MJ069702 ?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-L-rhamnose C18H32O14 472.179205 NA MeJP NA NA +MJ069703 ?-D-Glucopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-L-rhamnose C18H32O14 472.179205 NA MeJP NA NA +MJ069704 ?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-L-rhamnose C18H32O14 472.179205 NA MeJP NA NA +MJ069705 ?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-L-rhamnose C18H32O14 472.179205 NA MeJP NA NA +MJ069706 ?-L-Rhamnopyranosyl-(1?3)-?-D-galactopyranosyl-(1?3)-L-fucose C18H32O14 472.179205 NA MeJP NA NA +MJ069707 ?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-D-galactose C18H32O14 472.179205 NA MeJP NA NA +HMDB01534 5-Formiminotetrahydrofolic acid C20H24N8O6 472.18188 http://www.hmdb.ca/metabolites/HMDB01534 HMDB NA NA +HMDB01534 5-Formiminotetrahydrofolic acid C20H24N8O6 472.18188 HMDB01534 PFEM_hmdb_metabocards_official NA NA +MetaCyc03665 5-formiminotetrahydrofolate [5-formimidoyltetrahydrofolate;] C20H24N8O6 472.181881 2311-81-1 metacyc NA NA +MetaCyc03666 5-formimino-THF [n5-formiminotetrahydrofolate;n5-formimino-THF;] C20H24N8O6 472.181881 NA metacyc NA NA +HMDB01534 5-Formiminotetrahydrofolic acid C20H24N8O6 472.181885 NA HMDB2010 NA NA +C00664 5-Formiminotetrahydrofolate C20H24N8O6 472.1819 NA KEGG NA NA +7551 ACE inhibitor YQY 472.184 antioxidative Inhouse_peptide NA peptide +7948 synthetic peptide YYQ 472.184 ACE inhibitor Inhouse_peptide NA peptide +7966 synthetic peptide QYY 472.184 antioxidative Inhouse_peptide NA peptide +7969 synthetic peptide YQY 472.184 antioxidative Inhouse_peptide NA peptide +MJ069708 11,12-Methylenedioxykopsinaline; 21-Hydroxy, N-methoxycarbonyl C24H28N2O8 472.184565 NA MeJP NA NA +MJ069709 11,12-Methylenedioxykopsinaline; N-Methoxycarbonyl, N4-oxide C24H28N2O8 472.184565 NA MeJP NA NA +MJ069710 Kopsaporine; 11-Hydroxy, 12-methoxy C24H28N2O8 472.184565 NA MeJP NA NA +MJ069711 Kopsaporine; 14?,15?-Epoxy, 12-methoxy C24H28N2O8 472.184565 NA MeJP NA NA +MJ069712 Kopsidine A; 15-O-De-Me C24H28N2O8 472.184565 NA MeJP NA NA +MJ069713 Paleatin A C29H28O6 472.188588 NA MeJP NA NA +PJ002149 MHW C22H28N6O4S 472.1893 NA PeJP NA NA +PJ002150 STEH C18H28N6O9 472.1918 NA PeJP NA NA +MJ069714 2-Methoxy-4-(2-propenyl)phenol; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C22H32O11 472.194461 NA MeJP NA NA +MJ069715 8-Decene-4,6-diyn-1-ol, O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C22H32O11 472.194461 NA MeJP NA NA +MJ069716 Biphenomycin A; 7-Deoxy C23H28N4O7 472.195799 NA MeJP NA NA +PJ002151 QYY C23H28N4O7 472.1958 NA PeJP NA NA +PJ002152 PPEM C20H32N4O7S 472.1992 NA PeJP NA NA +MJ069717 Antibiotic LL-AC 541 C17H28N8O8 472.203009 NA MeJP NA NA +PJ002153 GPNW C22H28N6O6 472.2071 NA PeJP NA NA +C02027 Deoxylimonate C26H32O8 472.2097 NA KEGG NA NA +C02028 Dicarboxylate C2H2O4 472.2097 NA KEGG NA NA +C08852 Bryophyllin A C26H32O8 472.2097 NA KEGG NA NA +FL4DALNI0006 Kushenol H C26H32O8 472.20971 99119-70-7 knapsack NA NA +FL4DALNI0007 Kushenol K C26H32O8 472.20971 101236-49-1 knapsack NA NA +MJ069718 1,3,5,14,16-Pentahydroxy-19-oxobufa-20,22-dienolide, 1,3,5-Orthoacetate C26H32O8 472.209718 NA MeJP NA NA +MJ069719 1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 1-tigloyl, 3-Ac C26H32O8 472.209718 NA MeJP NA NA +MJ069720 1-[3-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(3-methyl-2-butenyl)phenyl]-1-butanone C26H32O8 472.209718 NA MeJP NA NA +MJ069721 14,15-Epoxy-3,5,16-trihydroxy-19-oxobufa-20,22-dienolide, 16-Ac C26H32O8 472.209718 NA MeJP NA NA +MJ069722 17,21-Dihydroxy-16-methylpregna-1,4-diene-3,11,20-trione; 16?-form, 21-(3-Carboxypropanoyl) C26H32O8 472.209718 NA MeJP NA NA +MJ069723 2(3?20)-Abeo-2,10,13-trihydroxy-4(20),6,11-taxatriene-5,9-dione, Tri-Ac C26H32O8 472.209718 NA MeJP NA NA +MJ069724 3,6,8,14-Tetrahydroxybufa-4,20,22-trienolide, 1?,2?-Epoxy, 6-Ac C26H32O8 472.209718 NA MeJP NA NA +MJ069725 6,15,20-Trihydroxy-2,16-kauradiene-1,7-dione, Tri-Ac C26H32O8 472.209718 NA MeJP NA NA +MJ069726 Binankadsurin A; 7-Butanoyl C26H32O8 472.209718 NA MeJP NA NA +MJ069727 Binankadsurin A; 7-O-(2-Methylpropanoyl) C26H32O8 472.209718 NA MeJP NA NA +MJ069728 Bryotoxin B; 12-Deoxo, 19-aldehyde C26H32O8 472.209718 NA MeJP NA NA +MJ069729 Colensoic acid; 4-Methoxy C26H32O8 472.209718 NA MeJP NA NA +MJ069730 Ivorensic acid C26H32O8 472.209718 NA MeJP NA NA +MJ069731 Kushenol H C26H32O8 472.209718 NA MeJP NA NA +MJ069732 Nomilinic acid; Lactone, O-de-Ac C26H32O8 472.209718 NA MeJP NA NA +MJ069733 Olivetoric acid C26H32O8 472.209718 NA MeJP NA NA +MJ069734 Subconfluentic acid C26H32O8 472.209718 NA MeJP NA NA +MJ069735 Tricoccin S35 C26H32O8 472.209718 NA MeJP NA NA +MetaCyc03667 deoxylimonate [deoxylimonic acid;] C26H32O8 472.209718 NA metacyc NA NA +PJ002154 SVMH C19H32N6O6S 472.2104 NA PeJP NA NA +MJ069736 Chrestifoline B C32H28N2O2 472.215078 NA MeJP NA NA +MJ069737 Murrafoline E C32H28N2O2 472.215078 NA MeJP NA NA +PJ002155 PVEE C20H32N4O9 472.217 NA PeJP NA NA +7651 ACE inhibitor from wakame YKY 472.22 antioxidative Inhouse_peptide NA peptide +7653 ACE inhibitor from wakame KYY 472.22 antioxidative Inhouse_peptide NA peptide +7931 synthetic peptide KYY 472.22 antioxidative Inhouse_peptide NA peptide +7934 synthetic peptide YKY 472.22 antioxidative Inhouse_peptide NA peptide +7937 synthetic peptide YYK 472.22 antioxidative Inhouse_peptide NA peptide +MJ069738 13-Hydroxylupanine; O-(3-Formyloxy-4,5-dimethoxybenzoyl) C25H32N2O7 472.220951 NA MeJP NA NA +MJ069739 Bometolol C25H32N2O7 472.220951 NA MeJP NA NA +MJ069740 Kopsinaline; 11,12-Dimethoxy, N-(methoxycarbonyl) C25H32N2O7 472.220951 NA MeJP NA NA +FL2FAANP0007 Euchrenone a14 C30H32O5 472.22497 150998-92-8 knapsack NA NA +FL2FAANP0008 Euchrenone a15 C30H32O5 472.22497 150998-93-9 knapsack NA NA +MJ069741 Euchrenone a11; 2'-Deoxy C30H32O5 472.224974 NA MeJP NA NA +MJ069742 Euchrenone a12; 2'-Deoxy C30H32O5 472.224974 NA MeJP NA NA +MJ069743 Tazifylline C23H32N6O3S 472.225659 NA MeJP NA NA +PJ002156 PNDK C19H32N6O8 472.2282 NA PeJP NA NA +MJ069744 4-[[1-(4-Carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl]thio]benzoic acid C27H36O5S 472.228344 NA MeJP NA NA +3364 ACE inhibitor HGLF 472.231 celiac toxic Inhouse_peptide NA peptide +5 Sarcoplasmic GFHI 472.232 celiac toxic Inhouse_peptide NA peptide +PJ002157 KYY C24H32N4O6 472.2322 NA PeJP NA NA +MJ069745 Hypothallin C29H32N2O4 472.236207 NA MeJP NA NA +PJ002158 SPNR C18H32N8O7 472.2394 NA PeJP NA NA +PJ002159 GLHF C23H32N6O5 472.2434 NA PeJP NA NA +MJ069746 1(10),4(15)-Bicyclogermacradiene-2,3,5-triol, 2-(3-(4-Hydroxy-3-methoxyphenyl)propanoyl), 3-Ac C27H36O7 472.246103 NA MeJP NA NA +MJ069747 1,9,15-Heptadecatriene-11,13-diyn-8-ol, 8-(2,3-Di-O-acetyl-L-rhamnoside) C27H36O7 472.246103 NA MeJP NA NA +MJ069748 2,14-Dihydroxy-5,8(17),11-briaratrien-18,7-olide, 11?,12?-Epoxide, 2-(3-methyl-2-butenoyl), 14-Ac C27H36O7 472.246103 NA MeJP NA NA +MJ069749 8,10,12-Trihydroxy-3-longipinen-5-one, 12-Angeloyl, 8-(3-methyl-2-butenoyl), 10-Ac C27H36O7 472.246103 NA MeJP NA NA +MJ069750 8,10,12-Trihydroxy-3-longipinen-5-one, 8,12-Diangeloyl, 10-Ac C27H36O7 472.246103 NA MeJP NA NA +MJ069751 8,9,10-Trihydroxy-3-longipinen-5-one, 8,10-Diangeloyl, 9-Ac C27H36O7 472.246103 NA MeJP NA NA +MJ069752 8-Daucene-2,4,6-triol, 6-(3,4-Dihydroxybenzoyl), 2-angeloyl C27H36O7 472.246103 NA MeJP NA NA +MJ069753 9-Methoxystrobilurin L C27H36O7 472.246103 NA MeJP NA NA +MJ069754 Anziaic acid; Tri-Me ether C27H36O7 472.246103 NA MeJP NA NA +MJ069755 Hyperlatolic acid C27H36O7 472.246103 NA MeJP NA NA +MJ069756 Ingenol; 20-Deoxy, 16-acetoxy, 3-angeloyl C27H36O7 472.246103 NA MeJP NA NA +MJ069757 Ingenol; 3-Angeloyl, 20-Ac C27H36O7 472.246103 NA MeJP NA NA +MJ069758 Isohyperlatolic acid C27H36O7 472.246103 NA MeJP NA NA +MJ069759 Lucidenic acid M; 3,7,15-Triketone, 12?-hydroxy C27H36O7 472.246103 NA MeJP NA NA +MJ069760 Methylprednisolone; 21-Ac, 17-propanoyl C27H36O7 472.246103 NA MeJP NA NA +MJ069761 Odyendene; 4?,27-Dihydro C27H36O7 472.246103 NA MeJP NA NA +MJ069762 Strobilurin I; 4-Methoxy, 2''-O-(1,1-dimethyl-2-propenyl) C27H36O7 472.246103 NA MeJP NA NA +HMDB02586 Chenodeoxycholic acid 3-sulfate C24H40O7S 472.24948 http://www.hmdb.ca/metabolites/HMDB02586 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02642 Ursodeoxycholic acid 3-sulfate C24H40O7S 472.24948 http://www.hmdb.ca/metabolites/HMDB02642 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02522 Chenodeoxycholic acid sulfate C24H40O7S 472.24948 http://www.hmdb.ca/metabolites/HMDB02522 HMDB NA NA +HMDB02586 Chenodeoxycholic acid 3-sulfate C24H40O7S 472.24948 http://www.hmdb.ca/metabolites/HMDB02586 HMDB NA NA +HMDB02642 Ursodeoxycholic acid 3-sulfate C24H40O7S 472.24948 http://www.hmdb.ca/metabolites/HMDB02642 HMDB NA NA +HMDB02586 Chenodeoxycholic acid 3-sulfate C24H40O7S 472.24948 http://www.hmdb.ca/metabolites/HMDB02586 PFEM_hmdb_metabocards_blood NA blood +HMDB02642 Ursodeoxycholic acid 3-sulfate C24H40O7S 472.24948 http://www.hmdb.ca/metabolites/HMDB02642 PFEM_hmdb_metabocards_blood NA blood +HMDB02522 Chenodeoxycholic acid sulfate C24H40O7S 472.24948 HMDB02522 PFEM_hmdb_metabocards_official NA NA +HMDB02586 Chenodeoxycholic acid 3-sulfate C24H40O7S 472.24948 HMDB02586 PFEM_hmdb_metabocards_official NA NA +HMDB02642 Ursodeoxycholic acid 3-sulfate C24H40O7S 472.24948 HMDB02642 PFEM_hmdb_metabocards_official NA NA +HMDB02522 Chenodeoxycholic acid sulfate C24H40O7S 472.249481 NA HMDB2010 NA NA +HMDB02586 Chenodeoxycholic acid 3-sulfate C24H40O7S 472.249481 NA HMDB2010 NA NA +HMDB02642 Ursodeoxycholic acid 3-sulfate C24H40O7S 472.249481 NA HMDB2010 NA NA +MJ069763 Sulukast C25H36N4O3S 472.250811 NA MeJP NA NA +PJ002160 PTQK C20H36N6O7 472.2646 NA PeJP NA NA +PJ002161 PPLF C25H36N4O5 472.2686 NA PeJP NA NA +PJ002162 PLLM C22H40N4O5S 472.272 NA PeJP NA NA +PJ002163 GLQR C19H36N8O6 472.2758 NA PeJP NA NA +MJ069764 14,17,27-Trihydroxy-1-oxowitha-5,24-dienolide C28H40O6 472.282489 NA MeJP NA NA +MJ069765 14,20,27-Trihydroxy-1-oxowitha-5,24-dienolide C28H40O6 472.282489 NA MeJP NA NA +MJ069766 4,17,27-Trihydroxy-1-oxowitha-5,24-dienolide C28H40O6 472.282489 NA MeJP NA NA +MJ069767 5,6,21-Trihydroxy-1-oxowith-24-enolide, 2,3-Didehydro C28H40O6 472.282489 NA MeJP NA NA +MJ069768 5,6-Epoxy-19,27-dihydroxy-1-oxowitha-2,24-dienolide, 2,3-Dihydro C28H40O6 472.282489 NA MeJP NA NA +MJ069769 5,6-Epoxy-4,20-dihydroxy-1-oxowith-2-enolide C28H40O6 472.282489 NA MeJP NA NA +MJ069770 5,6-Epoxy-4,20-dihydroxy-1-oxowith-24-enolide C28H40O6 472.282489 NA MeJP NA NA +MJ069771 7,15-Dihydroxy-16-atisen-19-oic acid, 7-Angeloyl, 15-Ac, Me ester C28H40O6 472.282489 NA MeJP NA NA +MJ069772 9,13,20-Trihydroxy-1,6-tigliadien-3-one, 13-(2,3-Dimethylbutanoyl), 20-Ac C28H40O6 472.282489 NA MeJP NA NA +MJ069773 Acnistin G C28H40O6 472.282489 NA MeJP NA NA +MJ069774 Cochlioquinone A; 11-Deoxy, O-de-Ac, 20-ketone C28H40O6 472.282489 NA MeJP NA NA +MJ069775 Cochlioquinone A; 8-Epimer, 11-deoxy, O-de-Ac, 20-ketone C28H40O6 472.282489 NA MeJP NA NA +MJ069776 Deacylcylindrol; 4'-(3-Methylbutanoyl) C28H40O6 472.282489 NA MeJP NA NA +MJ069777 Ixocarpanolide C28H40O6 472.282489 NA MeJP NA NA +MJ069778 Jaborosalactone D C28H40O6 472.282489 NA MeJP NA NA +MJ069779 Jaborosalactone O C28H40O6 472.282489 NA MeJP NA NA +MJ069780 Macrocarpal B C28H40O6 472.282489 NA MeJP NA NA +MJ069781 Macrocarpal D C28H40O6 472.282489 NA MeJP NA NA +MJ069782 Macrocarpal E C28H40O6 472.282489 NA MeJP NA NA +MJ069783 Nic 2; 17-Deoxy,17-epimer C28H40O6 472.282489 NA MeJP NA NA +MJ069784 Usneoidol E C28H40O6 472.282489 NA MeJP NA NA +MJ069785 Vamonolide C28H40O6 472.282489 NA MeJP NA NA +MJ069786 Withafastuosin A C28H40O6 472.282489 NA MeJP NA NA +MJ069787 Withaferin A; 2,3-Dihydro C28H40O6 472.282489 NA MeJP NA NA +MJ069788 Protomethine; ?1,18(?14,18)-Dehydro, N9-E-cinnamoyl C29H37N4O2(+) 472.283826 NA MeJP NA NA +MJ069789 Protomethine; ?1,18(?14,18)-Dehydro, N9-Z-cinnamoyl C29H37N4O2(+) 472.283826 NA MeJP NA NA +PJ002164 AARR C18H36N10O5 472.287 NA PeJP NA NA +3622 NA KTPK 472.287 ACE inhibitor Inhouse_peptide NA peptide +MJ069790 Argininylalanylargininylalanine; L-L-L-L-form C18H36N10O5 472.287014 NA MeJP NA NA +PJ002165 VLLE C22H40N4O7 472.2897 NA PeJP NA NA +PJ002166 PTKK C21H40N6O6 472.301 NA PeJP NA NA +MJ069791 13-Labdene-2,6,8,15-tetrol, 6-O-?-L-Arabinopyranoside C25H44O8 472.303618 NA MeJP NA NA +MJ069792 13-Labdene-6,8,15,19-tetrol, 6-O-?-L-Arabinopyranoside C25H44O8 472.303618 NA MeJP NA NA +MJ069793 2-Hydroxy-18-oxo-1,2,3-nonadecanetricarboxylic acid; Tri-Me ester C25H44O8 472.303618 NA MeJP NA NA +MJ069794 Mucronine C C26H40N4O4 472.304955 NA MeJP NA NA +MJ069795 Myrianthine C; N-De-Me C26H40N4O4 472.304955 NA MeJP NA NA +PJ002167 GLKR C20H40N8O5 472.3122 NA PeJP NA NA +MJ069796 1-(2,5-Dihydroxy-3-methylphenyl)-15-hydroxy-3,7,11,15-tetramethyl-2,6-hexadecadiene-5,12-dione, 1',4'-Di-Me ether C29H44O5 472.318874 NA MeJP NA NA +MJ069797 12,20-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 20-Ac C29H44O5 472.318874 NA MeJP NA NA +MJ069798 16,26-Dihydroxycholest-4-ene-3,22-dione, 16-Ac C29H44O5 472.318874 NA MeJP NA NA +MJ069799 17,23-Epoxy-24,29-dihydroxy-27-norlanost-8-ene-3,15-dione C29H44O5 472.318874 NA MeJP NA NA +MJ069800 17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one, 3-Ketone C29H44O5 472.318874 NA MeJP NA NA +MJ069801 17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-ene-15,24-dione C29H44O5 472.318874 NA MeJP NA NA +MJ069802 2,6-Dihydroxy-24-nor-3-oxo-4-friedelen-29-oic acid C29H44O5 472.318874 NA MeJP NA NA +MJ069803 24,25-Epoxy-16-scalarene-12,25-diol, Di-Ac C29H44O5 472.318874 NA MeJP NA NA +MJ069804 24,25-Epoxy-20,24-dimethyl-16-scalarene-3,12,25-triol, 3-Ketone, 12-Ac C29H44O5 472.318874 NA MeJP NA NA +MJ069805 3,20,23-Trihydroxy-30-nor-12-oleanen-28-oic acid, 23-Aldehyde C29H44O5 472.318874 NA MeJP NA NA +MJ069806 3,29-Dihydroxy-30-nor-20-oxo-28-lupanoic acid, 3-Ketone C29H44O5 472.318874 NA MeJP NA NA +MJ069807 3-Hydroxyspirostan-6-one, Ac C29H44O5 472.318874 NA MeJP NA NA +MJ069808 30(8?9)-Abeo-3,11,16-trihydroxyfusida-7,17(20),24-trien-21-oic acid C29H44O5 472.318874 NA MeJP NA NA +MJ069809 5,19-Epoxy-3-hydroxy-28-nor-11-oxocucurbit-24-en-26-oic acid C29H44O5 472.318874 NA MeJP NA NA +MJ069810 8,12-Epoxy-11(13)-eremophilene-3,8,9-triol, 8-Me ether, 3-(5-methyl-2E,4E,6E-dodecatrienoyl) C29H44O5 472.318874 NA MeJP NA NA +MJ069811 Bifurcarenone, 13,14-Dihydro, 2',5'-di-Me ether C29H44O5 472.318874 NA MeJP NA NA +MJ069812 Comnostin A; 23-Aldehyde, di-Me acetal C29H44O5 472.318874 NA MeJP NA NA +MJ069813 Cystalgerone; 5,13-Dihydro, 5-hydroxy C29H44O5 472.318874 NA MeJP NA NA +MJ069814 Daldinin A; Daldinin A2 C29H44O5 472.318874 NA MeJP NA NA +MJ069815 Daldinin A; Daldinin A3, 3,4-Dihydro C29H44O5 472.318874 NA MeJP NA NA +MJ069816 Dendrosterone C29H44O5 472.318874 NA MeJP NA NA +MJ069817 Eucosterol C29H44O5 472.318874 NA MeJP NA NA +MJ069818 Floridic acid C29H44O5 472.318874 NA MeJP NA NA +MJ069819 Luffasterol C; 22,23-Dihydro C29H44O5 472.318874 NA MeJP NA NA +MJ069820 Minabeolide 4; 11?-Acetoxy, 1,2-dihydro C29H44O5 472.318874 NA MeJP NA NA +MJ069821 Minabeolide 4; 18-Acetoxy, 1,2-dihydro C29H44O5 472.318874 NA MeJP NA NA +MJ069822 Norarjunolic acid C29H44O5 472.318874 NA MeJP NA NA +MJ069823 Zosterdiol A C29H44O5 472.318874 NA MeJP NA NA +MJ069824 Zosterdiol B C29H44O5 472.318874 NA MeJP NA NA +MJ069825 Zosterondiol B; 10,11-Dihydro C29H44O5 472.318874 NA MeJP NA NA +MJ069826 6'-Apo-?-caroten-6'-al; Carboxylic acid, Me ester C33H44O2 472.33413 NA MeJP NA NA +MJ069827 6'-Apo-?-caroten-6'-oic acid, Me ester C33H44O2 472.33413 NA MeJP NA NA +MJ069828 Reticulataxanthin C33H44O2 472.33413 NA MeJP NA NA +PJ002168 VVKK C22H44N6O5 472.3373 NA PeJP NA NA +HMDB02392 Maslinic acid C30H48O4 472.355255 NA HMDB2010 NA NA +HMDB02392 Maslinic acid C30H48O4 472.35526 http://www.hmdb.ca/metabolites/HMDB02392 HMDB NA NA +MJ069829 1,3,11-Trihydroxygorgost-5-en-18-al C30H48O4 472.35526 NA MeJP NA NA +MJ069830 1,3-Dihydroxy-12-oleanen-29-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069831 1,3-Dihydroxy-12-oleanen-30-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069832 1,3-Dihydroxy-12-ursen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069833 1,3-Dihydroxy-14-taraxeren-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069834 1,3-Dihydroxy-20(29)-lupen-26-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069835 1,3-Dihydroxycycloart-24-en-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069836 11,13(18)-Oleanadiene-3,16,21,28-tetrol C30H48O4 472.35526 NA MeJP NA NA +MJ069837 11,13(18)-Oleanadiene-3,16,23,28-tetrol C30H48O4 472.35526 NA MeJP NA NA +MJ069838 11,13(18)-Oleanadiene-3,21,22,28-tetrol C30H48O4 472.35526 NA MeJP NA NA +MJ069839 11,13(18)-Oleanadiene-3,22,23,28-tetrol C30H48O4 472.35526 NA MeJP NA NA +MJ069840 11,20-Dihydroxydammar-24-ene-3,23-dione C30H48O4 472.35526 NA MeJP NA NA +MJ069841 11,23,24-Trihydroxydammara-20(22),25-dien-3-one C30H48O4 472.35526 NA MeJP NA NA +MJ069842 11,23,24-Trihydroxyprotosta-13(17),25-dien-3-one C30H48O4 472.35526 NA MeJP NA NA +MJ069843 12,13-Epoxy-3-hydroxy-28-oleanoic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069844 12,15-Oleanadiene-3,21,22,28-tetrol C30H48O4 472.35526 NA MeJP NA NA +MJ069845 12-Oleanene-3,16,22,28-tetrol, 28-Aldehyde C30H48O4 472.35526 NA MeJP NA NA +MJ069846 12-Oleanene-3,16,28,30-tetrol, 28-Aldehyde C30H48O4 472.35526 NA MeJP NA NA +MJ069847 12-Oleanene-3,16,28,30-tetrol, 30-Aldehyde C30H48O4 472.35526 NA MeJP NA NA +MJ069848 12-Oleanene-3,22,24,30-tetrol, 22-Ketone C30H48O4 472.35526 NA MeJP NA NA +MJ069849 12-Ursene-3,21,22,28-tetrol, 28-Aldehyde C30H48O4 472.35526 NA MeJP NA NA +MJ069850 12-Ursene-3,21,22,28-tetrol, 3-Ketone C30H48O4 472.35526 NA MeJP NA NA +MJ069851 12-Ursene-3,21,28-triol, 28-Carboxylic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069852 13,28-Epoxy-11-oleanene-3,16,23-triol C30H48O4 472.35526 NA MeJP NA NA +MJ069853 13,28-Epoxy-3,16,23-oleananetriol, 16-Ketone C30H48O4 472.35526 NA MeJP NA NA +MJ069854 13,28-Epoxy-3,16,30-oleananetriol, 16-Ketone C30H48O4 472.35526 NA MeJP NA NA +MJ069855 13,28-Epoxy-3,16-dihydroxy-30-oleanal C30H48O4 472.35526 NA MeJP NA NA +MJ069856 13,28-Epoxy-3,22-dihydroxyoleanan-30-al C30H48O4 472.35526 NA MeJP NA NA +MJ069857 17,22,24-Trihydroxy-28-hopanoic acid; 17?-form, 28?22 Lactone C30H48O4 472.35526 NA MeJP NA NA +MJ069858 2,24,25-Trihydroxytirucalla-1,7-dien-3-one C30H48O4 472.35526 NA MeJP NA NA +MJ069859 2,3,13-Trihydroxy-28-oleananoic acid, 28?13 Lactone C30H48O4 472.35526 NA MeJP NA NA +MJ069860 2,3,20-Trihydroxy-28-taraxastanoic acid, 28?20-Lactone C30H48O4 472.35526 NA MeJP NA NA +MJ069861 2,3,28-Friedelanetriol, 28-Carboxylic acid, 2-ketone C30H48O4 472.35526 NA MeJP NA NA +MJ069862 2,3,28-Friedelanetriol, 28-Carboxylic acid, 3-Ketone C30H48O4 472.35526 NA MeJP NA NA +MJ069863 2,3-Dihydroxy-12-oleanen-23-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069864 2,3-Dihydroxy-12-oleanen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069865 2,3-Dihydroxy-12-ursen-23-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069866 2,3-Dihydroxy-12-ursen-24-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069867 2,3-Dihydroxy-12-ursen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069868 2,3-Dihydroxy-13(18)-oleanen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069869 2,3-Dihydroxy-14-taraxeren-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069870 2,3-Dihydroxy-29-friedelanoic acid; 2?-form, 3-Ketone C30H48O4 472.35526 NA MeJP NA NA +MJ069871 2,3-Dihydroxy-29-friedelanoic acid, 2-Ketone C30H48O4 472.35526 NA MeJP NA NA +MJ069872 2,3-Dihydroxy-9(11)-fernen-23-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069873 2-Alkyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 5,7-Dihydroxy-6,8-dimethoxy-2-nonadecyl-4H-1-benzopyran-4-one C30H48O4 472.35526 NA MeJP NA NA +MJ069874 2-Heneicosyl-5,7-dihydroxy-4H-1-benzopyran-4-one C30H48O4 472.35526 NA MeJP NA NA +MJ069875 20(29)-Lupene-2,3,28-triol, 28-Carboxylic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069876 20(29)-Lupene-3,16,28-triol, 28-Carboxylic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069877 20(29)-Lupene-3,23,28-triol, 28-Carboxylic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069878 20(29)-Lupene-3,23,28-triol; 3?-form, 28-Carboxylic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069879 20(30)-Lupene-1,3,11,29-tetrol, 29-Aldehyde C30H48O4 472.35526 NA MeJP NA NA +MJ069880 21,23-Epoxycycloart-24-ene-3,21,22-triol C30H48O4 472.35526 NA MeJP NA NA +MJ069881 21-Hydroxy-3-oxo-28-friedelanoic acid; 21?-form C30H48O4 472.35526 NA MeJP NA NA +MJ069882 23,24-Epoxy-16,25-dihydroxycycloartan-3-one C30H48O4 472.35526 NA MeJP NA NA +MJ069883 24,25-Dihydroxylanost-8-ene-3,7-dione; 24S-form C30H48O4 472.35526 NA MeJP NA NA +MJ069884 24,25-Epoxy-1,23-dihydroxytirucall-7-en-3-one C30H48O4 472.35526 NA MeJP NA NA +MJ069885 24,25-Epoxy-11,23-dihydroxydammar-20(22)-en-3-one C30H48O4 472.35526 NA MeJP NA NA +MJ069886 24,25-Epoxy-23,29-dihydroxytirucall-7-en-3-one C30H48O4 472.35526 NA MeJP NA NA +MJ069887 24,25-Epoxy-7,26-dihydroxylanost-8-en-3-one C30H48O4 472.35526 NA MeJP NA NA +MJ069888 24,25-Epoxy-7,26-hydroxylanost-8-en-3-one C30H48O4 472.35526 NA MeJP NA NA +MJ069889 28,29-Dihydroxy-3-friedelanone; 28-Carboxylic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069890 3,11,13-Trihydroxy-12-oleananone, 3-Ketone C30H48O4 472.35526 NA MeJP NA NA +MJ069891 3,11-Dihydroxy-12-ursen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069892 3,11-Dihydroxy-20(29)-lupen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069893 3,11-Dihydroxy-9,11-secoergosta-5,24(28)-dien-9-one, 11-Ac C30H48O4 472.35526 NA MeJP NA NA +MJ069894 3,13,16-Trihydroxy-28-oleananoic acid, 28?13 Lactone C30H48O4 472.35526 NA MeJP NA NA +MJ069895 3,13-Dihydroxy-11-ursen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069896 3,13-Dihydroxy-20(29)-lupen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069897 3,15-Dihydroxy-12-oleanen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069898 3,15-Dihydroxylanosta-8,24-dien-21-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069899 3,16,28-Trihydroxy-12-oleanen-21-one C30H48O4 472.35526 NA MeJP NA NA +MJ069900 3,16-Dihydroxy-12-oleanen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069901 3,16-Dihydroxy-13(18)-oleanen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069902 3,16-Dihydroxylanosta-8,24-dien-21-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069903 3,19,27-Trihydroxy-28-oleananoic acid, 28?19 Lactone C30H48O4 472.35526 NA MeJP NA NA +MJ069904 3,19-Dihydroxy-12-oleanen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069905 3,19-Dihydroxy-12-ursen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069906 3,20,21,28-Lupanetetrol, 28-Carboxylic acid, 28 ?21 lactone C30H48O4 472.35526 NA MeJP NA NA +MJ069907 3,20,23-Trihydroxy-28-taraxastanoic acid, 28?20-Lactone C30H48O4 472.35526 NA MeJP NA NA +MJ069908 3,20,27-Trihydroxy-28-taraxastanoic acid, 28?20-Lactone C30H48O4 472.35526 NA MeJP NA NA +MJ069909 3,20,27-Trihydroxy-28-ursanoic acid, 28?20 Lactone C30H48O4 472.35526 NA MeJP NA NA +MJ069910 3,20,28-Lupanetriol, 28-Carboxylic acid, 3-ketone C30H48O4 472.35526 NA MeJP NA NA +MJ069911 3,20-Dihydroxy-12-ursen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069912 3,20-Dihydroxy-18-lupen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069913 3,20-Dihydroxy-30-nor-12-oleanen-28-oic acid, 20-Me ether C30H48O4 472.35526 NA MeJP NA NA +MJ069914 3,21,24-Trihydroxy-14-serraten-16-one C30H48O4 472.35526 NA MeJP NA NA +MJ069915 3,21-Dihydroxy-12-oleanen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069916 3,21-Dihydroxy-14-serraten-24-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069917 3,22,24-Trihydroxy-12-oleanen-19-one C30H48O4 472.35526 NA MeJP NA NA +MJ069918 3,22-Dihydroxy-12-oleanen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069919 3,22-Dihydroxy-12-oleanen-29-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069920 3,22-Dihydroxy-12-ursen-30-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069921 3,22-Dihydroxylanosta-8,24-dien-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069922 3,23-Dihydroxy-12-oleanen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069923 3,23-Dihydroxy-12-ursen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069924 3,23-Dihydroxy-18-oleanen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069925 3,23-Dihydroxycycloart-24-en-26-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069926 3,24,29-Trihydroxy-12-oleanen-22-one C30H48O4 472.35526 NA MeJP NA NA +MJ069927 3,24-Dihydroxy-12-oleanen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069928 3,24-Dihydroxy-12-oleanen-29-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069929 3,24-Dihydroxy-12-ursen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069930 3,25-Dihydroxy-12-oleanen-30-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069931 3,25-Dihydroxycucurbit-5-ene-11,24-dione C30H48O4 472.35526 NA MeJP NA NA +MJ069932 3,26,27-Trihydroxylanosta-8,24-dien-7-one C30H48O4 472.35526 NA MeJP NA NA +MJ069933 3,27-Dihydroxy-12-oleanen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069934 3,27-Dihydroxy-20(29)-lupen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069935 3,27-Dihydroxycycloart-24-en-26-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069936 3,28-Dihydroxy-12-ursen-27-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069937 3,28-Dihydroxy-20(29)-lupen-27-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069938 3,29-Dihydroxy-12-oleanen-27-oic acid; 3?-form C30H48O4 472.35526 NA MeJP NA NA +MJ069939 3,29-Dihydroxy-12-oleanen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069940 3,29-Dihydroxycucurbita-5,24-dien-26-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069941 3,30-Dihydroxy-12-oleanen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069942 3,30-Dihydroxy-12-ursen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069943 3,30-Dihydroxy-20(29)-lupen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069944 3,6-Dihydroxy-12-oleanen-27-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069945 3,6-Dihydroxy-12-oleanen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069946 3,6-Dihydroxy-12-oleanen-29-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069947 3,6-Dihydroxy-12-ursen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069948 3,6-Dihydroxy-18-oleanen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069949 3,6-Dihydroxy-20(29)-lupen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069950 3,7,23-Trihydroxycucurbita-5,24-dien-19-al C30H48O4 472.35526 NA MeJP NA NA +MJ069951 3,7-Dihydroxy-12-oleanen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069952 3,7-Dihydroxy-12-ursen-28-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069953 3,7-Dihydroxylanosta-8,24-dien-26-oic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069954 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 11-Eicosenyl ester(Z-) C30H48O4 472.35526 NA MeJP NA NA +MJ069955 3-Hydroxy-29-oxo-28-lupanoic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069956 5,19-Epoxycucurbita-6,23-diene-3,19,25-triol C30H48O4 472.35526 NA MeJP NA NA +MJ069957 5,6-Epoxy-3-hydroxy-29-glutinanoic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069958 6,26-Dihydroxy-3-friedelanone, 21-Oxo C30H48O4 472.35526 NA MeJP NA NA +MJ069959 7,19,28-Trihydroxy-9(11)-arborinen-3-one C30H48O4 472.35526 NA MeJP NA NA +MJ069960 9(11),12-Oleanadiene-3,16,21,28-tetrol C30H48O4 472.35526 NA MeJP NA NA +MJ069961 9(11),12-Oleanadiene-3,16,23,28-tetrol C30H48O4 472.35526 NA MeJP NA NA +MJ069962 9(11)-Arborinene-3,7,19,28-tetrol, 3-Ketone C30H48O4 472.35526 NA MeJP NA NA +MJ069963 Alisol B C30H48O4 472.35526 NA MeJP NA NA +MJ069964 Argentatine A C30H48O4 472.35526 NA MeJP NA NA +MJ069965 Bacogenin A1 C30H48O4 472.35526 NA MeJP NA NA +MJ069966 Bacogenin A5 C30H48O4 472.35526 NA MeJP NA NA +MJ069967 Bourjotinolone A C30H48O4 472.35526 NA MeJP NA NA +MJ069968 Ceanothanolic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069969 Cleocarpone C30H48O4 472.35526 NA MeJP NA NA +MJ069970 Cyclamiretin C C30H48O4 472.35526 NA MeJP NA NA +MJ069971 Cycloart-24-ene-3,21,22,23-tetrol, 3-Ketone C30H48O4 472.35526 NA MeJP NA NA +MJ069972 Cycloart-24-ene-3,22,26-triol, 26-Carboxylic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069973 Cycloorbigenin A; 6,7-Dihydro C30H48O4 472.35526 NA MeJP NA NA +MJ069974 Dammar-24-ene-3,20,21-triol, 3-Ketone, 21-carboxylic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069975 Ergosta-5,24(28)-diene-1,3,11-triol, 11-Ac C30H48O4 472.35526 NA MeJP NA NA +MJ069976 Escigenin; 24-Deoxy C30H48O4 472.35526 NA MeJP NA NA +MJ069977 Fruticin A C30H48O4 472.35526 NA MeJP NA NA +MJ069978 Fruticin B C30H48O4 472.35526 NA MeJP NA NA +MJ069979 Holost-7-ene-3,23-diol C30H48O4 472.35526 NA MeJP NA NA +MJ069980 Iridogermanal; 21-Deoxy, 26-hydroxy, 16,17-didehydro C30H48O4 472.35526 NA MeJP NA NA +MJ069981 Lanosta-7,9(11)-diene-3,24,25,26-tetrol, 3-Ketone C30H48O4 472.35526 NA MeJP NA NA +MJ069982 Melianol C30H48O4 472.35526 NA MeJP NA NA +MJ069983 Odoratol; 3-Ketone C30H48O4 472.35526 NA MeJP NA NA +MJ069984 Ovalifoliolide B C30H48O4 472.35526 NA MeJP NA NA +MJ069985 Pseudojujubogenin C30H48O4 472.35526 NA MeJP NA NA +MJ069986 Pterosin C, 4-O-Hexadecanoyl C30H48O4 472.35526 NA MeJP NA NA +MJ069987 Salaspermic acid C30H48O4 472.35526 NA MeJP NA NA +MJ069988 Sapelin B; 3-Ketone C30H48O4 472.35526 NA MeJP NA NA +MJ069989 Sodwanone H C30H48O4 472.35526 NA MeJP NA NA +MJ069990 Steganogenin C30H48O4 472.35526 NA MeJP NA NA +MJ069991 Swartziagenin C30H48O4 472.35526 NA MeJP NA NA +MJ069992 Tirucalla-7,24-diene-3,23-diol, 7?,8?:24S,25-Diepoxide, 3-ketone C30H48O4 472.35526 NA MeJP NA NA +MJ069993 Tirucalla-7,24-diene-3,23-diol, 7?,8?:24S,25-Diepoxide, 3-ketone C30H48O4 472.35526 NA MeJP NA NA +HMDB02392 Maslinic acid C30H48O4 472.35526 HMDB02392 PFEM_hmdb_metabocards_official NA NA +C08808 Gratiogenin C30H48O4 472.3553 NA KEGG NA NA +C08942 Echinocystic acid C30H48O4 472.3553 NA KEGG NA NA +C16912 Alphitolic acid C30H48O4 472.3553 NA KEGG NA NA +C16939 Crataegolic acid C30H48O4 472.3553 NA KEGG NA NA +C17067 Siaresinol C30H48O4 472.3553 NA KEGG NA NA +C17070 Sumaresinol C30H48O4 472.3553 NA KEGG NA NA +C17460 Alisol B C30H48O4 472.3553 NA KEGG NA NA +MJ069994 Pachystermine A; 16?-Hydroxy C29H48N2O3 472.366493 NA MeJP NA NA +C17423 Soyasapogenol D C31H52O3 472.3916 NA KEGG NA NA +MJ069995 13(18)-Oleanene-3,22,24-triol, 22-Me ether C31H52O3 472.391645 NA MeJP NA NA +MJ069996 14-Serratene-3,21,29-triol, 3-Me ether C31H52O3 472.391645 NA MeJP NA NA +MJ069997 14-Serratene-3,21,30-triol, 3-Me ether C31H52O3 472.391645 NA MeJP NA NA +MJ069998 14-Serratene-3,21-diol, 3-Me ether, 14?,15?-epoxide C31H52O3 472.391645 NA MeJP NA NA +MJ069999 22-Hydroxy-29-hopanoic acid; 22?-form, Me ester C31H52O3 472.391645 NA MeJP NA NA +MJ070000 24-Hydroxy-3,4-secocycloart-25-en-3-oic acid; 24?-form, Me ester C31H52O3 472.391645 NA MeJP NA NA +MJ070001 24-Methylenelanost-8-ene-2,3,21-triol C31H52O3 472.391645 NA MeJP NA NA +MJ070002 24-Methylenelanost-8-ene-3,22,23-triol C31H52O3 472.391645 NA MeJP NA NA +MJ070003 25-Hydroxy-3,4-secocycloart-23-en-3-oic acid; 23E-form, Me ester C31H52O3 472.391645 NA MeJP NA NA +MJ070004 3-(4-Hydroxyphenyl)-2-propenoic acid, Docosyl ester C31H52O3 472.391645 NA MeJP NA NA +MJ070005 3-Hydroxycycloartan-26-oic acid, 3-Me ether C31H52O3 472.391645 NA MeJP NA NA +MJ070006 ?-Irigermanal C31H52O3 472.391645 NA MeJP NA NA +MJ070007 ?-Tocopherol; Ac C31H52O3 472.391645 NA MeJP NA NA +MJ070008 Alnuseric acid C31H52O3 472.391645 NA MeJP NA NA +MJ070009 Alnuserol C31H52O3 472.391645 NA MeJP NA NA +MJ070010 Alnuserrutriol; 3-Oxo C31H52O3 472.391645 NA MeJP NA NA +MJ070011 Alnustic acid; 12-Deoxy C31H52O3 472.391645 NA MeJP NA NA +MJ070012 Cholest-5-en-3-ol, Ethoxyacetyl C31H52O3 472.391645 NA MeJP NA NA +MJ070013 Cycloart-23-ene-3,25,26-triol, 3-Me ether C31H52O3 472.391645 NA MeJP NA NA +MJ070014 Iriversical C31H52O3 472.391645 NA MeJP NA NA +MJ070015 Lithocarpdiol C31H52O3 472.391645 NA MeJP NA NA +MJ070016 Pisolactone; 241(R)-Alcohol, 24-epimer C31H52O3 472.391645 NA MeJP NA NA +MJ070017 Pisolactone; 241(S)-Alcohol C31H52O3 472.391645 NA MeJP NA NA +MJ070018 2,29-Diamino-5,8,11,14,17,20-triacontahexaene-3,28-diol C30H52N2O2 472.402878 NA MeJP NA NA +MJ070019 Aragupetrosine A C30H52N2O2 472.402878 NA MeJP NA NA +MJ070020 14,17,20,23,26-Dotriacontapentaenoic acid, 14,15-Dihydro C32H56O2 472.428031 NA MeJP NA NA +MJ070021 24,25-Dimethyllanost-9(11)-ene-3,24-diol C32H56O2 472.428031 NA MeJP NA NA +MJ070022 5,9,21,25-Dotriacontatetraenoic acid C32H56O2 472.428031 NA MeJP NA NA +MJ070023 Dysidamide C15H21Cl6NO3 472.965259 NA MeJP NA NA +MJ070024 Herbacic acid; Me ester C15H21Cl6NO3 472.965259 NA MeJP NA NA +MJ070025 Ianthelline C15H17Br2N5O3 472.969814 NA MeJP NA NA +C08066 Butoconazole nitrate C19H17Cl3N2S 473.0134 NA KEGG NA NA +C10618 Sporidesmin C18H20ClN3O6S2 473.0482 NA KEGG NA NA +MJ070026 Sporidesmin C18H20ClN3O6S2 473.048204 NA MeJP NA NA +C11175 S-(2,4-Dinitrophenyl)glutathione C16H19N5O10S 473.0853 NA KEGG NA NA +MJ070027 Halopenium(1+); Chloride C22H30BrCl2NO 473.088782 NA MeJP NA NA +C05674 CMP-N-trimethyl-2-aminoethylphosphonate C14H27N4O10P2 473.1202 NA KEGG NA NA +C05675 Diacylglyceryl-2-aminoethylphosphonate C7H12NO7PR2 473.1202 NA KEGG NA NA +C05676 Diacylglyceryl-N-trimethyl-2-aminoethylphosphonate C10H19NO7PR2 473.1202 NA KEGG NA NA +C05677 Lipophosphonoglycan C10H19NO7PR2 473.1202 NA KEGG NA NA +MJ070028 Lixivaptan C27H21ClFN3O2 473.130632 NA MeJP NA NA +MJ070029 2-Hydroxy-2-(4-hydroxyphenyl)acetic acid, Nitrile, 4-O-[3,4-dihydroxycinnamoyl-(1?4)-?-D-glucopyranoside] C23H23NO10 473.132195 NA MeJP NA NA +MJ070030 Tipetropium(1+); Bromide C25H32BrNOS 473.138797 NA MeJP NA NA +MJ070031 Phosmidosine C16H24N7O8P 473.142397 NA MeJP NA NA +MJ070032 1-[2-[Bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid C23H21F6NO3 473.142562 NA MeJP NA NA +MJ070033 Lamellarin O; 2'-Hydroxy C27H23NO7 473.147452 NA MeJP NA NA +C08339 Proteacin C20H27NO12 473.1533 NA KEGG NA NA +MJ070034 2-(Glucopyranosyloxy)-2-(4-hydroxyphenyl)acetonitrile, 6'-O-?-D-Glucopyranosyl C20H27NO12 473.153325 NA MeJP NA NA +MJ070035 Cryptophycin 7 C25H28ClNO6 473.160515 NA MeJP NA NA +HMDB01562 N5-Formyl-H4F C20H23N7O7 473.16589 http://www.hmdb.ca/metabolites/HMDB01562 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00972 N10-Formyl-THF C20H23N7O7 473.16589 http://www.hmdb.ca/metabolites/HMDB00972 HMDB NA NA +HMDB01562 N5-Formyl-H4F C20H23N7O7 473.16589 http://www.hmdb.ca/metabolites/HMDB01562 HMDB NA NA +HMDB02140 Pteroyl-D-glutamic acid C20H23N7O7 473.16589 http://www.hmdb.ca/metabolites/HMDB02140 HMDB NA NA +HMDB01562 N5-Formyl-H4F C20H23N7O7 473.16589 http://www.hmdb.ca/metabolites/HMDB01562 PFEM_hmdb_metabocards_blood NA blood +HMDB00972 N10-Formyl-THF C20H23N7O7 473.16589 HMDB00972 PFEM_hmdb_metabocards_official NA NA +HMDB01562 N5-Formyl-H4F C20H23N7O7 473.16589 HMDB01562 PFEM_hmdb_metabocards_official NA NA +HMDB02140 Pteroyl-D-glutamic acid C20H23N7O7 473.16589 HMDB02140 PFEM_hmdb_metabocards_official NA NA +HMDB00972 N10-Formyl-THF C20H23N7O7 473.165894 NA HMDB2010 NA NA +HMDB01562 N5-Formyl-H4F C20H23N7O7 473.165894 NA HMDB2010 NA NA +HMDB02140 Pteroyl-D-glutamic acid C20H23N7O7 473.165894 NA HMDB2010 NA NA +MJ070036 10-Formyltetrahydrofolate C20H23N7O7 473.165896 NA MeJP NA NA +MJ070037 5-Formyltetrahydrofolate C20H23N7O7 473.165896 NA MeJP NA NA +MJ070038 Folinic acid C20H23N7O7 473.165896 NA MeJP NA NA +MetaCyc03668 N10-formyl-THF [10-formyl-tetrahydrofolate;n10-formyltetrahydrofolate;N10-formyl-H4F;10-formyl-THF;10-formyl-H4PteGlu1;] C20H23N7O7 473.165896 2800-34-2 metacyc NA NA +MetaCyc03669 N5-formyl-THF [5-formyl-THF leucovorin;n5-formyltetrahydrofolate;n5-formyl-thf;5-formyltetrahydrofolate;5-formyl-H4F;5-formyl-THF;folinic acid;5-CHO-THF;folinate;formyl-H4F;citrovorum factor;N5-formyl-H4F;] C20H23N7O7 473.165896 58-05-9 metacyc NA NA +C00234 10-Formyltetrahydrofolate C20H23N7O7 473.1659 NA KEGG NA NA +C03479 5-Formyltetrahydrofolate C20H23N7O7 473.1659 NA KEGG NA NA +MJ070039 Raloxifene C28H27NO4S 473.166079 NA MeJP NA NA +MetaCyc03670 raloxifene [raloxifene;(2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1- piperidinyl)ethoxy)phenyl)methanone;keoxifene;methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4- (2-(1-piperidinyl)ethoxy)phenyl)-;] C28H27N1O4S1 473.166079 NA metacyc NA NA +C07228 Raloxifene C28H27NO4S 473.1661 NA KEGG NA NA +C07229 Transferred to D00420 C28H27NO4S 473.1661 NA KEGG NA NA +7927 synthetic peptide EYY 473.168 antioxidative Inhouse_peptide NA peptide +7928 synthetic peptide YEY 473.168 antioxidative Inhouse_peptide NA peptide +7929 synthetic peptide YYE 473.168 antioxidative Inhouse_peptide NA peptide +MJ070040 Lactoquinomycin B C24H27NO9 473.168581 NA MeJP NA NA +MJ070041 Medermycin; 6-Hydroxy C24H27NO9 473.168581 NA MeJP NA NA +MJ070042 Medermycin; N-Oxide C24H27NO9 473.168581 NA MeJP NA NA +MJ070043 Papaveroxidine C24H27NO9 473.168581 NA MeJP NA NA +PJ002169 SCQH C17H27N7O7S 473.1693 NA PeJP NA NA +PJ002170 PNDE C18H27N5O10 473.1758 NA PeJP NA NA +PJ002171 EYY C23H27N3O8 473.1798 NA PeJP NA NA +MJ070044 Antibiotic OA 6129B1 C20H31N3O8S 473.183185 NA MeJP NA NA +C17373 OA-6129 B1 C20H31N3O8S 473.1832 NA KEGG NA NA +C17374 OA-6129 B2 C20H31N3O8S 473.1832 NA KEGG NA NA +PJ002172 GSSSH C17H27N7O9 473.187 NA PeJP NA NA +PJ002173 GPDW C22H27N5O7 473.1911 NA PeJP NA NA +PJ002174 GPPTC C19H31N5O7S 473.1944 NA PeJP NA NA +MJ070045 N-[4-[2-[[2-(3,4-Dimethoxyphenyl)ethyl]methylamino]ethoxy]-3-(1H-pyrrol-1-yl)phenyl]methanesulfonamide C24H31N3O5S 473.198441 NA MeJP NA NA +MJ070046 Ketotrexate C21H27N7O6 473.202281 NA MeJP NA NA +PJ002175 GNHF C21H27N7O6 473.2023 NA PeJP NA NA +MJ070047 6,11-Dihydro-11-[[2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]dibenz[b,e]oxepin-2-carboxylic acid C29H31NO3S 473.202464 NA MeJP NA NA +MJ070048 Mederrhodin B; 6-Deoxy, Me ester C25H31NO8 473.204966 NA MeJP NA NA +MJ070049 Senampelines; Senampeline A C25H31NO8 473.204966 NA MeJP NA NA +MJ070050 Senampelines; Senampeline B C25H31NO8 473.204966 NA MeJP NA NA +MJ070051 Senampelines; Senampeline C C25H31NO8 473.204966 NA MeJP NA NA +MJ070052 Senampelines; Senampeline D C25H31NO8 473.204966 NA MeJP NA NA +MJ070053 Senampelines; Senampeline E C25H31NO8 473.204966 NA MeJP NA NA +MJ070054 Senampelines; Senampeline F C25H31NO8 473.204966 NA MeJP NA NA +MJ070055 Senampelines; Senampeline G C25H31NO8 473.204966 NA MeJP NA NA +C10388 Senampeline A C25H31NO8 473.205 NA KEGG NA NA +PJ002176 SCKH C18H31N7O6S 473.2057 NA PeJP NA NA +MJ070056 Glisamuride C23H31N5O4S 473.209675 NA MeJP NA NA +PJ002177 PTQE C19H31N5O9 473.2122 NA PeJP NA NA +3721 NA WWPKHHG 473.2205 MH2+ Inhouse_peptide NA peptide +PJ002178 SPDR C18H31N7O8 473.2234 NA PeJP NA NA +MJ070057 Antibiotic SF 701; N*-Me C18H31N7O8 473.223411 NA MeJP NA NA +PJ002179 GGGGGGL C18H31N7O8 473.2235 NA PeJP NA NA +PJ002180 APTW C23H31N5O6 473.2275 NA PeJP NA NA +PJ002181 PVQM C20H35N5O6S 473.2308 NA PeJP NA NA +PJ002182 GNQR C17H31N9O7 473.2347 NA PeJP NA NA +MJ070058 Hetisan-2,11,13,14-tetrol, O2-(2-Methylpropanoyl), O13-Ac, N-oxide C26H35NO7 473.241352 NA MeJP NA NA +PJ002183 APMR C19H35N7O5S 473.2421 NA PeJP NA NA +MJ070059 N2-(Diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]argininamide C27H31N5O3 473.242689 NA MeJP NA NA +PJ002184 PTKE C20H35N5O8 473.2486 NA PeJP NA NA +EUR830 Lyso PE 16:1 [M+Na]+ C21H42NO7P 473.251838 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR830 Lyso PE 16:1 [M+Na]+ C21H42NO7P 473.251838 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR830 Lyso PE 16:1 [M+Na]+ C21H42NO7P 473.251838 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR830 Lyso PE 16:1 [M+Na]+ C21H42NO7P 473.251838 masses lipides attendues Inhousejuil11 NA NA +7811 ACE inhibitor from tuna VWIG 473.252 ACE inhibitor Inhouse_peptide NA peptide +MJ070060 Spermidine; N,N''-Bis(3,4-dihydroxyphenylpropanoyl) C25H35N3O6 473.252585 NA MeJP NA NA +EUR854 Lyso PE 18:4 monoisotopic mass C23H40NO7P 473.254242 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR854 Lyso PE 18:4 monoisotopic mass C23H40NO7P 473.254242 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR854 Lyso PE 18:4 monoisotopic mass C23H40NO7P 473.254242 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB11480 LysoPE(0:0/18:4(6Z,9Z,12Z,15Z)) C23H40NO7P 473.254242 NA HMDB2010 NA NA +HMDB11510 LysoPE(18:4(6Z,9Z,12Z,15Z)/0:0) C23H40NO7P 473.254242 NA HMDB2010 NA NA +EUR854 Lyso PE 18:4 monoisotopic mass C23H40NO7P 473.254242 masses lipides attendues Inhousejuil11 NA NA +PJ002185 GLER C19H35N7O7 473.2598 NA PeJP NA NA +MJ070061 Malonofungin C23H39NO9 473.262481 NA MeJP NA NA +PJ002186 GVLW C24H35N5O5 473.2638 NA PeJP NA NA +MJ070062 N-[1-Cyclohexyl-2-[2-[[[[4-[(hydroxyamino)iminomethyl]phenyl]methyl]amino]carbonyl]-1-azetidinyl]-2-oxoethyl]glycine, Et ester C24H35N5O5 473.263819 NA MeJP NA NA +7414 ACE inhibitor LRW 473.264 antioxidative Inhouse_peptide NA peptide +8016 synthetic peptide LWR 473.264 antibacterial Inhouse_peptide NA peptide +8075 synthetic peptide RWI 473.264 ACE inhibitor Inhouse_peptide NA peptide +8076 synthetic peptide RWL 473.264 ACE inhibitor Inhouse_peptide NA peptide +8213 Antioxidative peptide IRW 473.264 NA ;SYN:3-Carboxypropylamine; 4-Aminobutanoate; 4-Aminobutanoic acid; 4-Aminobutyrate; 4-Aminobutyric acid; Aminalon; GABA; Gaballon; Gamarex; Gamma aminobutyrate; Gamma aminobutyric acid; Gamma-aminobutyrate; Gamma-aminobutyric acid; Gammalon; Gammalone; Gammar; Gammasol; Mielogen; Mielomade; Piperidate; Piperidic acid; Piperidinate; Piperidinic acid; w-Aminobutyrate; w-Aminobutyric acid; omega-Aminobutyrate; omega-Aminobutyric acidH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +PJ002187 PVKM C21H39N5O5S 473.2672 NA PeJP NA NA +MJ070063 Roehybridine; 3',9-Bisdemethoxy C29H35N3O3 473.267842 NA MeJP NA NA +MJ070064 Tubulosine, 1',2'-Didehydro C29H35N3O3 473.267842 NA MeJP NA NA +PJ002188 GNKR C18H35N9O6 473.2711 NA PeJP NA NA +PJ002189 LRW C23H35N7O4 473.2751 NA PeJP NA NA +MJ070065 Prednisolone; 21-(Diethylaminoacetate) C27H39NO6 473.277737 NA MeJP NA NA +MJ070066 Pregnane-3,11,12,14,20-pentol, 20-O-(3-Pyridinecarboxylate) C27H39NO6 473.277737 NA MeJP NA NA +MJ070067 Amastatins; Amastatin A1 C21H39N5O7 473.284948 NA MeJP NA NA +PJ002190 VVKE C21H39N5O7 473.285 NA PeJP NA NA +PJ002191 SVLR C20H39N7O6 473.2962 NA PeJP NA NA +MJ070068 Lauralkonium(1+); Chloride C29H44ClNO2 473.306057 NA MeJP NA NA +MJ070069 Ambruticin VS 5 C28H43NO5 473.314123 NA MeJP NA NA +MJ070070 Ivorine C28H43NO5 473.314123 NA MeJP NA NA +MJ070071 Piericidin; Piericidin A3, 10'-Me ether, 11',12'-epoxide C28H43NO5 473.314123 NA MeJP NA NA +MJ070072 Piericidin; Piericidin A4, 11',12'-Epoxide C28H43NO5 473.314123 NA MeJP NA NA +3753 NA KKKA 473.319 ACE inhibitor Inhouse_peptide NA peptide +PJ002192 TLLK C22H43N5O6 473.3214 NA PeJP NA NA +MJ070073 Cyclobuxophylline O; N-Me, N-benzoyl C32H43NO2 473.329379 NA MeJP NA NA +PJ002193 AKKK C21H43N7O5 473.3326 NA PeJP NA NA +HMDB06321 Docosa-4,7,10,13,16-pentaenoyl carnitine C29H47NO4 473.350494 NA HMDB2010 NA NA +HMDB06496 Clupanodonyl carnitine C29H47NO4 473.350494 NA HMDB2010 NA NA +MJ070074 3,6,14-Cevanetriol, 6-Ac C29H47NO4 473.350508 NA MeJP NA NA +MJ070075 3,6,14-Cevanetriol, 3-Ac C29H47NO4 473.350508 NA MeJP NA NA +MJ070076 3-Hydroxypregn-14-en-20-one, 3-O-(2,4,6-Trideoxy-3-O-methyl-4-methylamino-?-D-ribo-hexopyranoside) C29H47NO4 473.350508 NA MeJP NA NA +MJ070077 Hakurirodine; 22R,28-Dihydro, 3-O-Ac C29H47NO4 473.350508 NA MeJP NA NA +MJ070078 Spirosolane-3,23-diol, 23-Ac C29H47NO4 473.350508 NA MeJP NA NA +HMDB06321 Docosa-4,7,10,13,16-pentaenoyl carnitine C29H47NO4 473.35052 http://www.hmdb.ca/metabolites/HMDB06321 HMDB NA NA +HMDB06493 Adrenyl carnitine C29H47NO4 473.35052 http://www.hmdb.ca/metabolites/HMDB06493 HMDB NA NA +HMDB06496 Clupanodonyl carnitine C29H47NO4 473.35052 http://www.hmdb.ca/metabolites/HMDB06496 HMDB NA NA +HMDB06321 Docosa-4,7,10,13,16-pentaenoyl carnitine C29H47NO4 473.35052 HMDB06321 PFEM_hmdb_metabocards_official NA NA +HMDB06493 Adrenyl carnitine C29H47NO4 473.35052 HMDB06493 PFEM_hmdb_metabocards_official NA NA +HMDB06496 Clupanodonyl carnitine C29H47NO4 473.35052 HMDB06496 PFEM_hmdb_metabocards_official NA NA +MJ070079 Stellettazole A C26H46N6O2(+) 473.360399 NA MeJP NA NA +MJ070080 Moctamide C33H47NO 473.365765 NA MeJP NA NA +C15294 N-Methylindolo[3,2-b]-5alpha-cholest-2-ene C34H51N 473.4022 NA KEGG NA NA +3457 PEP inhibitor SPFWNINA 473.7189 MH2+ Inhouse_peptide NA peptide +MJ070081 1,8,8-Tribromo-3,4,7-trichloro-3,7-dimethyl-1,5-octadiene C10H12Br3Cl3 473.755471 NA MeJP NA NA +MJ070082 Mercury(I) chloride (Hg2Cl2) Cl2Hg2 473.878956 NA MeJP NA NA +MJ070083 Toloxychlorinol C14H16Cl6O5 473.912889 NA MeJP NA NA +C17162 Aerophobin 1 C15H16Br2N4O4 473.9538 NA KEGG NA NA +MJ070084 Aerophobin 1 C15H16Br2N4O4 473.95383 NA MeJP NA NA +MJ070085 Purealidin M; Deamino C15H16Br2N4O4 473.95383 NA MeJP NA NA +MJ070086 Dysamide A; 3?-Hydroxy C14H20Cl6N2O3 473.960508 NA MeJP NA NA +MJ070087 3,5-Dihydroxy-4',7-dimethoxyflavone; 3,5-Di-O-sulfate C17H14O12S2 473.992667 NA MeJP NA NA +MJ070088 Gelliusine E, 5-Deoxy, 6-bromo C20H20Br2N4 474.005471 NA MeJP NA NA +MJ070089 Oganomycin GI C16H18N4O7S3 474.033761 NA MeJP NA NA +MJ070090 Bromoxanide C19H18BrF3N2O4 474.040204 NA MeJP NA NA +MJ070091 m-Trigallic acid C21H14O13 474.04344 NA MeJP NA NA +C10437 Chicoric acid C22H18O12 474.0798 NA KEGG NA NA +MJ070092 Chicoric acid C22H18O12 474.079826 NA MeJP NA NA +MJ070093 Fumarprotocetraric acid; 2'',3''-Dihydro C22H18O12 474.079826 NA MeJP NA NA +HMDB02375 Chicoric acid C22H18O12 474.07983 http://www.hmdb.ca/metabolites/HMDB02375 HMDB NA NA +HMDB02375 Chicoric acid C22H18O12 474.07983 HMDB02375 PFEM_hmdb_metabocards_official NA NA +HMDB02375 Chicoric acid C22H18O12 474.079834 NA HMDB2010 NA NA +MJ070094 Halopredone C21H25BrF2O5 474.085342 NA MeJP NA NA +MJ070095 Ticarcillin; 3-Mono(4-methylphenyl)ester C22H22N2O6S2 474.091927 NA MeJP NA NA +MJ070096 5,6,8,13-Tetrahydro-1,7,9,11-tetrahydroxy-8,13-dioxo-3-(2-oxopropyl)benzo[a]naphthacene-2-carboxylic acid C26H18O9 474.095082 NA MeJP NA NA +MJ070097 Bacillosporin B C26H18O9 474.095082 NA MeJP NA NA +MJ070098 Rilmazafone C21H20Cl2N6O3 474.097393 NA MeJP NA NA +MJ070099 (1-Butyl-4-piperidinyl)methyl 8-amino-2,3-dihydro-7-iodo-1,4-benzodioxin-5-carboxylate C19H27IN2O4 474.10155 NA MeJP NA NA +PJ002194 CCCF C18H26N4O5S3 474.1066 NA PeJP NA NA +MJ070100 Bisinaiquinone C30H18O6 474.110338 NA MeJP NA NA +MJ070101 Nostocyclamide C20H22N6O4S2 474.114394 NA MeJP NA NA +FL3FAACS0010 Apigenin 8-C-(6''-acetylgalactoside) C23H22O11 474.11621 75440-77-6 knapsack NA NA +FL3FAACS0044 Vitexin 2''-acetate C23H22O11 474.11621 264142-91-8 knapsack NA NA +FL3FAACS0084 Isovitexin 6''-O-acetyl C23H22O11 474.11621 - knapsack NA NA +FL3FAACS0088 Vitexin 3''-O-acetate C23H22O11 474.11621 439692-86-1 knapsack NA NA +FL3FAACS0089 Vitexin 6''-O-acetate;Psilosin C23H22O11 474.11621 156790-77-1 knapsack NA NA +FL3FAACS0092 8-C-beta-D-Glucofuranosylapigenin 2''-O-acetate C23H22O11 474.11621 439692-84-9 knapsack NA NA +FL3FAAGS0013 Apigenin 7-(6''-ethylglucuronide) C23H22O11 474.11621 62268-42-2 knapsack NA NA +FL3FAAGS0040 Apigenin 7-(2''-acetylglucoside) C23H22O11 474.11621 75357-75-4 knapsack NA NA +FL3FAAGS0041 Apigenin 7-(6''-acetylglucoside) C23H22O11 474.11621 72741-92-5 knapsack NA NA +FL3FABGS0004 Acacetin 7-(6''-methylglucuronide) C23H22O11 474.11621 79076-87-2 knapsack NA NA +FL3FF9GS0008 7-Hydroxy-5,8-dimethoxyflavone 7-glucuronide C23H22O11 474.11621 123549-16-6 knapsack NA NA +FL5F1CGS0005 Pongamoside D C23H22O11 474.11621 713524-66-4 knapsack NA NA +FL5FAAGS0047 Kaempferol 3-(2''-acetylrhamnoside) C23H22O11 474.11621 135618-15-4 knapsack NA NA +FL5FAAGS0048 Kaempferol 3-(3''-acetylrhamnoside) C23H22O11 474.11621 135618-16-5 knapsack NA NA +FL5FAAGS0049 Kaempferol 3-(4''-acetylrhamnoside) C23H22O11 474.11621 135618-17-6 knapsack NA NA +FL5FEAGS0026 Viviparum A;3-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyflavone 3-xyloside;9-Methoxy-6-(4-methoxyphenyl)-7-(beta-D-xylopyranosyloxy)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one C23H22O11 474.11621 340970-65-2 knapsack NA NA +FLIA2CGS0001 Fujikinetin 7-O-glucoside C23H22O11 474.11621 38965-67-2 knapsack NA NA +FLIAAAGS0002 Genistin 6''-O-acetate C23H22O11 474.11621 73566-30-0 knapsack NA NA +MJ070102 2',4',5',7-Tetrahydroxyisoflavone; 4',5'-Methylene, 2'-Me ether, 7-O-?-D-glucopyranoside C23H22O11 474.116211 NA MeJP NA NA +MJ070103 2',5,6,7-Tetrahydroxyisoflavone; 6,7-Methylene, 5-Me ether, 2'-O-?-D-glucopyranoside C23H22O11 474.116211 NA MeJP NA NA +MJ070104 2-Acetyl-1,6,8-trihydroxy-3-methylanthraquinone; 8-O-?-D-Glucoside C23H22O11 474.116211 NA MeJP NA NA +MJ070105 3',4',6,7-Tetrahydroxyisoflavone; 3',4'-Methylene, 6-Me ether, 7-O-?-D-glucopyranoside C23H22O11 474.116211 NA MeJP NA NA +MJ070106 3,4,6,8-Tetrahydroxy-1-phenanthrenecarboxylic acid; 3,4-Methylene, 8-Me ether, 6-O-?-D-glucopyranoside C23H22O11 474.116211 NA MeJP NA NA +MJ070107 4',5,7-Trihydroxyflavone; 7-O-?-D-Glucuronopyranoside, Et ester C23H22O11 474.116211 NA MeJP NA NA +MJ070108 4',5,7-Trihydroxyisoflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) C23H22O11 474.116211 NA MeJP NA NA +MJ070109 5,7,8-Trihydroxyflavone; 5,8-Di-Me ether, 7-O-?-D-glucuronoside C23H22O11 474.116211 NA MeJP NA NA +MJ070110 5,7-Dihydroxy-4'-methoxyflavone; 7-O-?-D-Glucuronopyranoside, Me ester C23H22O11 474.116211 NA MeJP NA NA +MJ070111 8-Galactopyranosyl-4',5,7-trihydroxyflavone; 6''-O-Ac C23H22O11 474.116211 NA MeJP NA NA +MJ070112 8-Methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid; 6-Hydroxy, O-?-D-glucopyranoside C23H22O11 474.116211 NA MeJP NA NA +MJ070113 Afzelin; 2''-Ac C23H22O11 474.116211 NA MeJP NA NA +MJ070114 Afzelin; 3''-Ac C23H22O11 474.116211 NA MeJP NA NA +MJ070115 Afzelin; 4''-Ac C23H22O11 474.116211 NA MeJP NA NA +MJ070116 Bergenin; 11-O-(E-4-Hydroxycinnamoyl) C23H22O11 474.116211 NA MeJP NA NA +MJ070117 Cosmosiin; 2''-Ac C23H22O11 474.116211 NA MeJP NA NA +MJ070118 Cosmosiin; 6''-Ac C23H22O11 474.116211 NA MeJP NA NA +MJ070119 Vitexin; 2''-Ac C23H22O11 474.116211 NA MeJP NA NA +MJ070120 Vitexin; 6''-Ac C23H22O11 474.116211 NA MeJP NA NA +MJ070121 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(6-O-Acetyl-?-D-glucopyranoside) C23H23O11(+) 474.116211 NA MeJP NA NA +PJ002195 SCCY C18H26N4O7S2 474.1243 NA PeJP NA NA +MJ070122 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, [?-D-Apiofuranosyl-(1?6)-?-D-glucopyranosyl] ester C20H26O13 474.13734 NA MeJP NA NA +MJ070123 14-Chloro-2,8,10-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-[2-(2-Hydroxymethyl-2E-butenoyloxy)-2E-butenoyl] C25H27ClO7 474.14453 NA MeJP NA NA +MJ070124 Sclerotiorin, O-De-Ac, O-(4-carboxy-3-methyl-2E-butenoyl) C25H27ClO7 474.14453 NA MeJP NA NA +MJ070125 Sclerotiorin, O-De-Ac, O-(4-carboxy-3-methyl-2Z-butenoyl) C25H27ClO7 474.14453 NA MeJP NA NA +MJ070126 Sclerotiorin, O-De-Ac, O-(4-carboxy-3-methyl-3E-butenoyl) C25H27ClO7 474.14453 NA MeJP NA NA +MJ070127 Sclerotiorin, O-De-Ac, O-(4-carboxy-3-methyl-3Z-butenoyl) C25H27ClO7 474.14453 NA MeJP NA NA +MJ070128 Nordracorubin C31H22O5 474.146723 NA MeJP NA NA +MJ070129 1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(4-Acetoxy-3-methyl-2-butenoyl)(Z-), 13-Ac C24H26O10 474.152597 NA MeJP NA NA +MJ070130 3,4-Epoxy-8,9-dihydroxy-2-oxo-1(10),11(13)-guaiadien-12,6-olide, 8-(2-Acetoxymethyl-2E-butenoyl), 9-Ac C24H26O10 474.152597 NA MeJP NA NA +MJ070131 Bipinnatin B C24H26O10 474.152597 NA MeJP NA NA +MJ070132 Deacyltaiwanschirin; 10-Ac C24H26O10 474.152597 NA MeJP NA NA +MJ070133 Peperomin F C24H26O10 474.152597 NA MeJP NA NA +MJ070134 Puerol A; 4''-Me ether, 2''-O-?-D-glucopyranoside C24H26O10 474.152597 NA MeJP NA NA +PJ002196 SCEH C17H26N6O8S 474.1533 NA PeJP NA NA +MJ070135 Picloxydine C20H24Cl2N10 474.156246 NA MeJP NA NA +MJ070136 ?-D-Arabinopyranosyl-(1?2)-?-D-mannopyranosyl-(1?2)-D-glucose C17H30O15 474.15847 NA MeJP NA NA +MJ070137 ?-D-Galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?3)-L-arabinose C17H30O15 474.15847 NA MeJP NA NA +MJ070138 ?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-L-arabinose C17H30O15 474.15847 NA MeJP NA NA +MJ070139 ?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?2)-D-xylose C17H30O15 474.15847 NA MeJP NA NA +MJ070140 ?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-D-glucose C17H30O15 474.15847 NA MeJP NA NA +MJ070141 D-Galactopyranosyl-(1?3)-D-galactopyranosyl-(1?3)-L-arabinose C17H30O15 474.15847 NA MeJP NA NA +MJ070142 Vaccariose C17H30O15 474.15847 NA MeJP NA NA +MJ070143 ?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-D-glucose C17H30O15 474.15847 NA MeJP NA NA +MetaCyc03671 α-D-xylosyl-(1->6)-β-D-glucosyl- (1->4)-β-D-glucose [] C17H30O15 474.15847 NA metacyc NA NA +PJ002197 PDDE C18H26N4O11 474.1598 NA PeJP NA NA +MJ070144 ?-[[2-Butyl-1-[(4-carboxy-1-naphthalenyl)methyl]-1H-imidazol-5-yl]methylene]-2-thiophenepropanoic acid C27H26N2O4S 474.161328 NA MeJP NA NA +MJ070145 4-N-Demethyl-4-N-ethyloxytetracycline C23H26N2O9 474.16383 NA MeJP NA NA +MJ070146 Neocalyxin A C28H26O7 474.167853 NA MeJP NA NA +MJ070147 Rhinacanthin Q C28H26O7 474.167853 NA MeJP NA NA +PJ002198 GMMH C18H30N6O5S2 474.1719 NA PeJP NA NA +MJ070148 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C21H30O12 474.173726 NA MeJP NA NA +MJ070149 5-(2-Propenyl)-1,2,3-benzenetriol; 1-Me ether, 3-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H30O12 474.173726 NA MeJP NA NA +MJ070150 6-O-(3,4-Dihydroxycinnamoyl)glucose; ?-D-Pyranose-form, 3'-Me ether, 2,3,4-trihydroxy-3-methylbutyl glycoside C21H30O12 474.173726 NA MeJP NA NA +MJ070151 Scandoside; 6-Butanoyl, Me ester C21H30O12 474.173726 NA MeJP NA NA +MJ070152 Scandoside; 6-Epimer, 6-butanoyl, Me ester C21H30O12 474.173726 NA MeJP NA NA +MJ070153 Tuliposide E C21H30O12 474.173726 NA MeJP NA NA +MJ070154 Petromurin C; 5''-Methoxy C27H26N2O6 474.179086 NA MeJP NA NA +MJ070155 Luteusin C; Stereoisomer 1, Me ether C26H31ClO6 474.180916 NA MeJP NA NA +PJ002199 NNNN C16H26N8O9 474.1823 NA PeJP NA NA +PJ002200 GDHF C21H26N6O7 474.1863 NA PeJP NA NA +MJ070156 10,14-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-[2-(2-Hydroxymethyl-2E-butenoyloxymethyl)-2E-butenoyl] C25H30O9 474.188982 NA MeJP NA NA +MJ070157 3',4,4',5,5',9,9'-Heptahydroxy-2,7'-cyclolignan, 3',5,5'-Tri-Me ether, 9,9'-di-Ac C25H30O9 474.188982 NA MeJP NA NA +MJ070158 3,3',4,4',5,9,9'-Heptahydroxylignan, 3',4'-Methylene, 3,5-di-Me ether, 9,9'-di-Ac C25H30O9 474.188982 NA MeJP NA NA +MJ070159 4,8-Dihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 8-O-[4-Hydroxy-2-(2-hydroxymethyl-2E-butenoyloxy)methyl-2E-butenoyl] C25H30O9 474.188982 NA MeJP NA NA +MJ070160 5,6,8-Trihydroxy-28-norisotoonafolin C25H30O9 474.188982 NA MeJP NA NA +MJ070161 8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, O-[4-Hydroxy-2-(4-hydroxy-2-hydroxymethyl-2E-butenoyloxymethyl)-2E-butenoyl] C25H30O9 474.188982 NA MeJP NA NA +MJ070162 8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-[4-Hydroxy-2-(4-hydroxy-2-hydroxymethyl-2-butenoyloxymethyl)-2-butenoyl](E,E-) C25H30O9 474.188982 NA MeJP NA NA +MJ070163 Acerogenin D; 4-O-?-D-Glucopyranoside C25H30O9 474.188982 NA MeJP NA NA +MJ070164 Kadsulignan A; 6?-Acetoxy C25H30O9 474.188982 NA MeJP NA NA +MJ070165 Loxodinol C25H30O9 474.188982 NA MeJP NA NA +MJ070166 Robustaol A C25H30O9 474.188982 NA MeJP NA NA +C09968 Robustaol A C25H30O9 474.189 NA KEGG NA NA +PJ002201 STMH C18H30N6O7S 474.1897 NA PeJP NA NA +MJ070167 [1-[3-(2,3-Dihydro-1,4-benzodioxin-6-yl)propyl]-4-piperidinyl]methyl 4-amino-5-chloro-2-methoxybenzoate C25H31ClN2O5 474.192149 NA MeJP NA NA +C07340 Quinapril hydrochloride C25H30N2O5 474.1922 NA KEGG NA NA +PJ002202 PTEE C19H30N4O10 474.1962 NA PeJP NA NA +PJ002203 PPMM C20H34N4O5S2 474.1971 NA PeJP NA NA +MJ070168 2,4,6,8,10,12-Tetradecahexaenedioic acid, 1-L-Aspartic acid, 14-L-isoleucine diamide C24H30N2O8 474.200215 NA MeJP NA NA +MJ070169 Kopsinganol C24H30N2O8 474.200215 NA MeJP NA NA +MJ070170 Podophyllic acid, N-Ethylhydrazide C24H30N2O8 474.200215 NA MeJP NA NA +C07259 Sildenafil C22H30N6O4S 474.2049 NA KEGG NA NA +C07260 Transferred to D00433 C22H30N6O4S 474.2049 NA KEGG NA NA +MJ070171 Sildenafil C22H30N6O4S 474.204924 NA MeJP NA NA +HMDB05039 Sildenafil C22H30N6O4S 474.204926 NA HMDB2010 NA NA +HMDB05039 Sildenafil C22H30N6O4S 474.20493 http://www.hmdb.ca/metabolites/HMDB05039 HMDB NA NA +HMDB05039 Sildenafil C22H30N6O4S 474.20493 HMDB05039 PFEM_hmdb_metabocards_official NA NA +PJ002204 AQQE C18H30N6O9 474.2074 NA PeJP NA NA +PJ002205 GAAQE C18H30N6O9 474.2075 NA PeJP NA NA +MJ070172 2-Isopropyl-5-methylphenol; O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C22H34O11 474.210111 NA MeJP NA NA +MJ070173 4-Isopropylbenzyl alcohol; O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] C22H34O11 474.210111 NA MeJP NA NA +PJ002206 PPDF C23H30N4O7 474.2115 NA PeJP NA NA +PJ002207 PVEM C20H34N4O7S 474.2148 NA PeJP NA NA +PJ002208 GNER C17H30N8O8 474.2187 NA PeJP NA NA +8070 synthetic peptide RHY 474.222 antioxidative Inhouse_peptide NA peptide +PJ002209 AAQW C22H30N6O6 474.2227 NA PeJP NA NA +8077 synthetic peptide RWN 474.2229 ACE inhibitor Inhouse_peptide NA peptide +MJ070174 1,3,5,14-Tetrahydroxy-19-oxobufa-20,22-dienolide, 3-Ac C26H34O8 474.225368 NA MeJP NA NA +MJ070175 1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 1-Benzoyl, 6,9-di-Ac, C26H34O8 474.225368 NA MeJP NA NA +MJ070176 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6-di-Ac C26H34O8 474.225368 NA MeJP NA NA +MJ070177 13(16),14-Spongiadiene-2,3,17,19-tetrol; 3?-form, 2-Ketone, tri-Ac C26H34O8 474.225368 NA MeJP NA NA +MJ070178 14,15-Epoxy-3,5,16,19-tetrahydroxybufa-20,22-dienolide, 16-Ac C26H34O8 474.225368 NA MeJP NA NA +MJ070179 2,11,12-Trihydroxy-6,7-seco-8,11,13-abietatriene-6,7-dial 11,6-hemiacetal; 2?-form, Tri-Ac(6?-) C26H34O8 474.225368 NA MeJP NA NA +MJ070180 3,3',4,4',9,9'-Hexahydroxylignan, 3,3',4,4'-Tetra-Me ether, 9,9'-di-Ac C26H34O8 474.225368 NA MeJP NA NA +MJ070181 3,5,11,14-Tetrahydroxy-12-oxobufa-20,22-dienolide, 3-Ac C26H34O8 474.225368 NA MeJP NA NA +MJ070182 3,5,12,14-Tetrahydroxy-11-oxobufa-20,22-dienolide, 3-Ac C26H34O8 474.225368 NA MeJP NA NA +MJ070183 3,6,8,12,14-Pentahydroxybufa-4,20,22-trienolide, 6-Ac C26H34O8 474.225368 NA MeJP NA NA +MJ070184 7,8:17,18-Diepoxy-1(19),6(20),10(17),13-xenicatetraene-11,12,18-triol; Tri-Ac C26H34O8 474.225368 NA MeJP NA NA +MJ070185 8,17-Epoxy-2,9,12-trihydroxy-5,13-briaradien-18,7-olide, 12-Ketone, 2-butanoyl, 9-Ac C26H34O8 474.225368 NA MeJP NA NA +MJ070186 Acremolactone A C26H34O8 474.225368 NA MeJP NA NA +MJ070187 Agrimophol C26H34O8 474.225368 NA MeJP NA NA +MJ070188 Austalide B C26H34O8 474.225368 NA MeJP NA NA +MJ070189 Bryotoxin B; 12-Deoxo C26H34O8 474.225368 NA MeJP NA NA +MJ070190 Clausenolide; 1-Me ether C26H34O8 474.225368 NA MeJP NA NA +MJ070191 Cryptochlorophaeic acid; 4'-Me ether C26H34O8 474.225368 NA MeJP NA NA +MJ070192 Cryptochlorophaeic acid; 4-Me ether C26H34O8 474.225368 NA MeJP NA NA +MJ070193 Cryptochlorophaeic acid; O-De-Me, 4,4'-di-Me ether C26H34O8 474.225368 NA MeJP NA NA +MJ070194 Epiphorellic acid 1 C26H34O8 474.225368 NA MeJP NA NA +MJ070195 Herbicide AF1 C26H34O8 474.225368 NA MeJP NA NA +MJ070196 Isocryptochlorophaeic acid; 4-Me ether C26H34O8 474.225368 NA MeJP NA NA +MJ070197 Ligulaverin C; 6-Deacyl, 6-angeloyl C26H34O8 474.225368 NA MeJP NA NA +MJ070198 Picrasin A C26H34O8 474.225368 NA MeJP NA NA +MJ070199 Saroaspidin C C26H34O8 474.225368 NA MeJP NA NA +MJ070200 Trillenogenin; 1-Ketone C26H34O8 474.225368 NA MeJP NA NA +MJ070201 Xenione C26H34O8 474.225368 NA MeJP NA NA +C10671 Agrimophol C26H34O8 474.2254 NA KEGG NA NA +C17049 Picrasin A C26H34O8 474.2254 NA KEGG NA NA +PJ002210 PCQK C19H34N6O6S 474.2261 NA PeJP NA NA +MJ070202 Saterinone C27H30N4O4 474.226705 NA MeJP NA NA +MJ070203 Murrafoline B C32H30N2O2 474.230728 NA MeJP NA NA +MJ070204 Murrafoline D C32H30N2O2 474.230728 NA MeJP NA NA +MJ070205 Murrafoline G C32H30N2O2 474.230728 NA MeJP NA NA +MJ070206 Murrastifoline D; 3'-Deoxy C32H30N2O2 474.230728 NA MeJP NA NA +MJ070207 1,16-Eicosanediol, Di-O-sulfate C20H42O8S2 474.232109 NA MeJP NA NA +MJ070208 1,18-Phytanediol; Disulfate C20H42O8S2 474.232109 NA MeJP NA NA +PJ002211 VVEE C20H34N4O9 474.2326 NA PeJP NA NA +PJ002212 NRW C21H30N8O5 474.2339 NA PeJP NA NA +MJ070209 4,13-Dihydroxylupanine, O13-(3,4,5-Trimethoxybenzoyl) C25H34N2O7 474.236601 NA MeJP NA NA +FL1C1CNP0002 Poinsettifolin B C30H34O5 474.24062 211183-25-4 knapsack NA NA +FL2FAANP0006 Euchrenone a4 C30H34O5 474.24062 121795-45-7 knapsack NA NA +FL3F1LNI0002 Rubraflavone B C30H34O5 474.24062 54835-68-6 knapsack NA NA +FLIAAANI0006 Flemiphyllin;5,7,4'-Trihydroxy-8,3',5'-triprenylisoflavone C30H34O5 474.24062 92519-86-3 knapsack NA NA +FLIAAANI0012 Euchrenone b1;5,7,4'-Trihydroxy-6,8,3'-triprenylisoflavone C30H34O5 474.24062 119061-09-5 knapsack NA NA +MJ070210 4',5,7-Trihydroxy-3',5',8-triprenylisoflavone C30H34O5 474.240624 NA MeJP NA NA +MJ070211 4',5,7-Trihydroxy-3',6,8-triprenylisoflavone C30H34O5 474.240624 NA MeJP NA NA +MJ070212 Euchrenone a4 C30H34O5 474.240624 NA MeJP NA NA +MJ070213 Poinsettifolin A C30H34O5 474.240624 NA MeJP NA NA +MJ070214 Poinsettifolin B C30H34O5 474.240624 NA MeJP NA NA +MJ070215 Rubraflavone A; 8-(3-Methyl-2-butenyl) C30H34O5 474.240624 NA MeJP NA NA +PJ002213 AQKE C19H34N6O8 474.2438 NA PeJP NA NA +7861 peptide isolated from marine rotifier (Brachionus rotundiformis) DLGLGLPGAH 474.24445 MH2+ Inhouse_peptide NA peptide +PJ002214 PPVY C24H34N4O6 474.2479 NA PeJP NA NA +MJ070216 Cytochalasin G C29H34N2O4 474.251857 NA MeJP NA NA +PJ002215 GDKR C18H34N8O7 474.2551 NA PeJP NA NA +PJ002216 AAKW C23H34N6O5 474.2591 NA PeJP NA NA +MJ070217 2,7,19-Trihydroxy-3,12,14-clerodatrien-18,19-olide, 2-Me ether, 7-butanoyl, 19-Ac C27H38O7 474.261753 NA MeJP NA NA +MJ070218 3,4-Epoxy-7(14),10-bisaboladiene-1,2,8-triol; 1,2-Diangeloyl, 8-Ac C27H38O7 474.261753 NA MeJP NA NA +MJ070219 3,6-Dihydroxyfuranoeremophilan-15-oic acid, 3-Angeloyl, 6-(3-methylpentanoyl), Me ester C27H38O7 474.261753 NA MeJP NA NA +MJ070220 3,7,12-Trihydroxy-25,26,27-trinor-11,15-dioxolanost-8-en-24-oic acid, 3-Ketone C27H38O7 474.261753 NA MeJP NA NA +MJ070221 4,18-Epoxy-6,19-dihydroxy-13-cleroden-15,16-olide, 19-Tigloyl, 6-Ac C27H38O7 474.261753 NA MeJP NA NA +MJ070222 4-[1-[2,6-Dihydroxy-4-methoxy-3-(2-methyl-1-oxopropyl)phenyl]-3-methylbutyl]-5-hydroxy-2,2,6,6-tetramethyl-4-cyclohexene-1,3-dione; Homologue C27H38O7 474.261753 NA MeJP NA NA +MJ070223 8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-(3-Acetyl-?-D-xylopyranoside) C27H38O7 474.261753 NA MeJP NA NA +MJ070224 8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-(2-Acetyl-?-D-xylopyranoside) C27H38O7 474.261753 NA MeJP NA NA +MJ070225 8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-(3-Acetyl-?-D-xylopyranoside) C27H38O7 474.261753 NA MeJP NA NA +MJ070226 8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-(4-Acetyl-?-D-xylopyranoside) C27H38O7 474.261753 NA MeJP NA NA +MJ070227 8,9,10-Trihydroxy-5-longipinanone, 8,10-Diangeloyl, 9-Ac C27H38O7 474.261753 NA MeJP NA NA +MJ070228 9-Methoxystrobilurin L; 9,10-Dihydro C27H38O7 474.261753 NA MeJP NA NA +MJ070229 Kampanol B C27H38O7 474.261753 NA MeJP NA NA +MJ070230 Lucidenic acid E1 C27H38O7 474.261753 NA MeJP NA NA +MJ070231 Lucidenic acid H; 7-Ketone C27H38O7 474.261753 NA MeJP NA NA +MJ070232 Lucidenic acid M; 7,15-Diketone, 12?-hydroxy C27H38O7 474.261753 NA MeJP NA NA +MJ070233 Pregna-5,20-diene-3,7,11,19-tetrol, 3,7,19-Tri-Ac C27H38O7 474.261753 NA MeJP NA NA +C09086 Diterpenoid EF-D C27H38O7 474.2618 NA KEGG NA NA +PJ002217 PCKK C20H38N6O5S 474.2625 NA PeJP NA NA +MJ070234 Aspergillamide A C28H34N4O3 474.26309 NA MeJP NA NA +C16259 Petromyzonol 24-sulfate C24H42O7S 474.2651 NA KEGG NA NA +PJ002218 GSRR C17H34N10O6 474.2663 NA PeJP NA NA +HMDB02962 Amastatin C21H38N4O8 474.26895 http://www.hmdb.ca/metabolites/HMDB02962 HMDB NA NA +HMDB02962 Amastatin C21H38N4O8 474.26895 HMDB02962 PFEM_hmdb_metabocards_official NA NA +MJ070235 Amastatins; Amastatin C21H38N4O8 474.268964 NA MeJP NA NA +C01552 Amastatin C21H38N4O8 474.269 NA KEGG NA NA +PJ002219 TLLE C21H38N4O8 474.269 NA PeJP NA NA +MJ070236 Schizanthine X; 6-De(angeloyloxy) C26H38N2O6 474.272986 NA MeJP NA NA +MJ070237 Fluocortolone; 21-Hexanoyl C28H39FO5 474.278152 NA MeJP NA NA +PJ002220 AKKE C20H38N6O7 474.2802 NA PeJP NA NA +PJ002221 PVLF C25H38N4O5 474.2842 NA PeJP NA NA +MJ070238 Mucronine E; N-De-Me C25H38N4O5 474.28422 NA MeJP NA NA +MJ070239 Mucronine G C25H38N4O5 474.28422 NA MeJP NA NA +MJ070240 Zizyphine D C25H38N4O5 474.28422 NA MeJP NA NA +PJ002222 VLLM C22H42N4O5S 474.2876 NA PeJP NA NA +PJ002223 ATKR C19H38N8O6 474.2915 NA PeJP NA NA +MJ070241 1,3,12,20-Tetrahydroxywitha-5,24-dienolide C28H42O6 474.298139 NA MeJP NA NA +MJ070242 11,15(17)-Trinervitadiene-3,9,13-triol, 9-Ac, 3,13-dipropanoyl C28H42O6 474.298139 NA MeJP NA NA +MJ070243 12,16,22-Trihydroxy-24-methyl-24-oxo-25-scalaranoic acid, 25?12 Lactone, 22-Ac C28H42O6 474.298139 NA MeJP NA NA +MJ070244 22,25-Epoxy-3,11-dihydroxy-24-methylfurostano-18,20-lactone C28H42O6 474.298139 NA MeJP NA NA +MJ070245 3,14,16-Trihydroxycard-20(22)-enolide, 16-O-(3-Methylbutanoyl) C28H42O6 474.298139 NA MeJP NA NA +MJ070246 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2-pentenoyl) C28H42O6 474.298139 NA MeJP NA NA +MJ070247 4,9,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 13-Octanoyl C28H42O6 474.298139 NA MeJP NA NA +MJ070248 5,6,21-Trihydroxy-1-oxowith-24-enolide C28H42O6 474.298139 NA MeJP NA NA +MJ070249 6,7-Epoxy-1,3,5-trihydroxywith-24-enolide C28H42O6 474.298139 NA MeJP NA NA +MJ070250 Ambruticin C28H42O6 474.298139 NA MeJP NA NA +MJ070251 Cochlioquinone A; 8-Epimer, 11-deoxy, O-de-Ac, 20-ketone, hydroquinone C28H42O6 474.298139 NA MeJP NA NA +MJ070252 Ingenol; 20-Octanoyl C28H42O6 474.298139 NA MeJP NA NA +MJ070253 Periplocagenin C28H42O6 474.298139 NA MeJP NA NA +MJ070254 Pubescenol C28H42O6 474.298139 NA MeJP NA NA +MJ070255 Protomethine; N9-E-Cinnamoyl C29H38N4O2 474.299476 NA MeJP NA NA +MJ070256 Protomethine; N9-Z-Cinnamoyl C29H38N4O2 474.299476 NA MeJP NA NA +MJ070257 Antibiotic BU 4514N C27H42N2O5 474.309372 NA MeJP NA NA +MJ070258 17,28-Dotriacontadiene-2,4,6,15,31-pentayne-1,8,30-triol C32H42O3 474.313395 NA MeJP NA NA +PJ002224 SLKK C21H42N6O6 474.3166 NA PeJP NA NA +MJ070259 Etzionin C26H42N4O4 474.320605 NA MeJP NA NA +MJ070260 Coryphine C31H42N2O2 474.324628 NA MeJP NA NA +MJ070261 1,3,11-Trihydroxy-23-norgorgost-5-en-13-oic acid C29H46O5 474.334524 NA MeJP NA NA +MJ070262 12,16,25-Trihydroxy-23,25-cyclo-20,24-dimethyl-24-scalaranone, 12-Ac C29H46O5 474.334524 NA MeJP NA NA +MJ070263 12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 12-Ac C29H46O5 474.334524 NA MeJP NA NA +MJ070264 12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 16-Ac C29H46O5 474.334524 NA MeJP NA NA +MJ070265 12,16-Dihydroxy-20,24-dimethyl-25,24-scalaranolide, 12-Ac C29H46O5 474.334524 NA MeJP NA NA +MJ070266 17,23-Epoxy-3,24,29-trihydroxy-27-norlanost-8-en-15-one C29H46O5 474.334524 NA MeJP NA NA +MJ070267 17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one C29H46O5 474.334524 NA MeJP NA NA +MJ070268 24,25-Epoxy-16,24-dihydroxy-20,24-dimethyl-12-scalaranone, 16-Ac C29H46O5 474.334524 NA MeJP NA NA +MJ070269 24,25-Epoxy-20,24-dimethyl-16-scalarene-3,12,25-triol, 12-Ac C29H46O5 474.334524 NA MeJP NA NA +MJ070270 24,25-Epoxy-24-methyl-16-scalarene-12,22,25-triol, 12-Ac, 25-Me ether C29H46O5 474.334524 NA MeJP NA NA +MJ070271 28-Nor-12-oleanene-2,3,16,17,23-pentol, 16-Ketone C29H46O5 474.334524 NA MeJP NA NA +MJ070272 3,11,15,29-Tetrahydroxystigmast-5-en-7-one, 24,28-Didehydro C29H46O5 474.334524 NA MeJP NA NA +MJ070273 3,16,20-Trihydroxy-30-nor-12-oleanen-28-oic acid C29H46O5 474.334524 NA MeJP NA NA +MJ070274 3,20,23-Trihydroxy-29-nor-12-oleanen-28-oic acid C29H46O5 474.334524 NA MeJP NA NA +MJ070275 3,20,23-Trihydroxy-30-nor-12-oleanen-28-oic acid C29H46O5 474.334524 NA MeJP NA NA +MJ070276 3,29-Dihydroxy-30-nor-20-oxo-28-lupanoic acid C29H46O5 474.334524 NA MeJP NA NA +MJ070277 3,4,16-Trihydroxy-23-nor-12-oleanen-28-oic acid C29H46O5 474.334524 NA MeJP NA NA +MJ070278 3,5,26-Trihydroxycholest-24-en-6-one, 26-Ac C29H46O5 474.334524 NA MeJP NA NA +MJ070279 3,6,11-Trihydroxy-9,11-secocholesta-7,22-dien-9-one, 11-Ac C29H46O5 474.334524 NA MeJP NA NA +MJ070280 5,8-Epidioxy-24-hydroperoxystigmasta-6,28-dien-3-ol C29H46O5 474.334524 NA MeJP NA NA +MJ070281 9,11-Epoxycholest-7-ene-3,5,6-triol, 6-Ac C29H46O5 474.334524 NA MeJP NA NA +MJ070282 Daldinin A; Daldinin A2, 3,4-Dihydro C29H46O5 474.334524 NA MeJP NA NA +MJ070283 Eucosterol; 15-Deoxo, 22R-hydroxy C29H46O5 474.334524 NA MeJP NA NA +MJ070284 Fusidic acid; 16-Epimer, 16-O-de-Ac C29H46O5 474.334524 NA MeJP NA NA +MJ070285 Fusidic acid; 16-O-De-Ac C29H46O5 474.334524 NA MeJP NA NA +MJ070286 Glaciasterol B; 3-Ac C29H46O5 474.334524 NA MeJP NA NA +MJ070287 Viburnol C C29H46O5 474.334524 NA MeJP NA NA +MJ070288 Carpaine; 1,1',2,2'-Tetradehydro C28H46N2O4 474.345757 NA MeJP NA NA +C08634 Sapelin A C30H50O4 474.3709 NA KEGG NA NA +C08789 Bryodulcosigenin C30H50O4 474.3709 NA KEGG NA NA +C17419 Soyasapogenol A C30H50O4 474.3709 NA KEGG NA NA +MJ070289 1,11,20-Trihydroxy-3-lupanone C30H50O4 474.37091 NA MeJP NA NA +MJ070290 1,2-Benzenedicarboxylic acid; Bis(2-ethylnonyl) ester C30H50O4 474.37091 NA MeJP NA NA +MJ070291 12,20,25-Trihydroxydammar-23-en-3-one C30H50O4 474.37091 NA MeJP NA NA +MJ070292 12-Oleanene-2,3,23,28-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070293 12-Oleanene-2,3,23,30-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070294 12-Oleanene-3,15,22,28-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070295 12-Oleanene-3,16,21,28-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070296 12-Oleanene-3,16,21,30-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070297 12-Oleanene-3,16,22,24-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070298 12-Oleanene-3,16,22,28-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070299 12-Oleanene-3,16,28,29-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070300 12-Oleanene-3,16,28,30-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070301 12-Oleanene-3,21,22,24-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070302 12-Oleanene-3,21,22,28-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070303 12-Oleanene-3,21,22,29-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070304 12-Oleanene-3,22,24,29-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070305 12-Oleanene-3,22,24,30-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070306 12-Oleanene-3,6,16,28-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070307 12-Ursene-1,2,3,30-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070308 13,28-Epoxy-3,16,22-oleananetriol C30H50O4 474.37091 NA MeJP NA NA +MJ070309 13,28-Epoxy-3,16,23-oleananetriol C30H50O4 474.37091 NA MeJP NA NA +MJ070310 14-Serratene-3,20,21,24-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070311 14-Serratene-3,21,24,30-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070312 16,22-Dihydroxy-23-hopanoic acid C30H50O4 474.37091 NA MeJP NA NA +MJ070313 17,24:20,24-Diepoxydammarane-3,25-diol C30H50O4 474.37091 NA MeJP NA NA +MJ070314 2,24,25-Trihydroxytirucall-7-en-3-one C30H50O4 474.37091 NA MeJP NA NA +MJ070315 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 28-Alcohol C30H50O4 474.37091 NA MeJP NA NA +MJ070316 20(30)-Lupene-1,3,11,29-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070317 20,24-Dihydroxy-3,4-secodammara-4(28),25-dien-3-oic acid C30H50O4 474.37091 NA MeJP NA NA +MJ070318 20,24-Epoxy-4-hydroxy-3,4-secodammar-25-en-3-oic acid C30H50O4 474.37091 NA MeJP NA NA +MJ070319 20,24-Epoxydammarane-3,12,25-triol, 12-Ketone C30H50O4 474.37091 NA MeJP NA NA +MJ070320 20,24-Epoxydammarane-3,12,25-triol, 3-Ketone C30H50O4 474.37091 NA MeJP NA NA +MJ070321 20,24-Epoxydammarane-3,24,25-triol, 3-Ketone C30H50O4 474.37091 NA MeJP NA NA +MJ070322 20,24-Epoxydammarane-3,25,26-triol, 3-Ketone C30H50O4 474.37091 NA MeJP NA NA +MJ070323 20,25-Dihydroxy-3,4-secodammara-4(28),23-dien-3-oic acid C30H50O4 474.37091 NA MeJP NA NA +MJ070324 22,23-Epoxy-7-tirucallene-3,24,25-triol C30H50O4 474.37091 NA MeJP NA NA +MJ070325 22,25-Epoxycycloartane-3,16,24-triol C30H50O4 474.37091 NA MeJP NA NA +MJ070326 22,25-Epoxycycloartane-3,16,28-triol C30H50O4 474.37091 NA MeJP NA NA +MJ070327 23,24,25-Trihydroxyprotost-13(17)-en-3-one C30H50O4 474.37091 NA MeJP NA NA +MJ070328 24-Hydroperoxycycloart-25-ene-3,23-diol C30H50O4 474.37091 NA MeJP NA NA +MJ070329 3,11,16-Trihydroxycycloartan-24-one C30H50O4 474.37091 NA MeJP NA NA +MJ070330 3,11,24-Trihydroxy-9,11-secogorgost-5-en-9-one C30H50O4 474.37091 NA MeJP NA NA +MJ070331 3,11-Dihydroxy-9,11-secoergosta-5,24(28)-dien-9-one, 24S,28-Dihydro, 11-Ac C30H50O4 474.37091 NA MeJP NA NA +MJ070332 3,11-Dihydroxy-9,11-secogorgostan-9-one C30H50O4 474.37091 NA MeJP NA NA +MJ070333 3,19-Dihydroxy-28-oleananoic acid C30H50O4 474.37091 NA MeJP NA NA +MJ070334 3,19-Dihydroxy-28-ursanoic acid C30H50O4 474.37091 NA MeJP NA NA +MJ070335 3,19:20,24-Diepoxydammarane-3,25-diol C30H50O4 474.37091 NA MeJP NA NA +MJ070336 3,20,28-Lupanetriol, 28-Carboxylic acid C30H50O4 474.37091 NA MeJP NA NA +MJ070337 3,22-Dihydroxy-29-hopanoic acid C30H50O4 474.37091 NA MeJP NA NA +MJ070338 3,23,25-Trihydroxytirucall-7-en-24-one C30H50O4 474.37091 NA MeJP NA NA +MJ070339 3,6,16,22-Hopanetetrol, 6-Ketone C30H50O4 474.37091 NA MeJP NA NA +MJ070340 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Eicosyl ester C30H50O4 474.37091 NA MeJP NA NA +MJ070341 4,4-Dimethylergosta-8,24(28)-diene-2,3,11,12-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070342 9(11)-Arborinene-2,3,7,19-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070343 9(11)-Arborinene-3,7,19,28-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070344 Abudinol C30H50O4 474.37091 NA MeJP NA NA +MJ070345 Cycloart-24-ene-3,16,22,28-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070346 Cycloart-24-ene-3,21,22,23-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070347 Dammar-24-ene-2,3,12,20-tetrol, 12-Ketone C30H50O4 474.37091 NA MeJP NA NA +MJ070348 Epoxymalabaricol C30H50O4 474.37091 NA MeJP NA NA +MJ070349 Gilvanol C30H50O4 474.37091 NA MeJP NA NA +MJ070350 Gorgost-5-ene-1,3,11,21-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070351 Gorgost-5-ene-3,9,11,21-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070352 Iridogermanal C30H50O4 474.37091 NA MeJP NA NA +MJ070353 Lanosta-7,9(11)-diene-3,24,25,26-tetrol C30H50O4 474.37091 NA MeJP NA NA +MJ070354 Lanosta-8,23-diene-3,22,25-triol, 25-Hydroperoxide C30H50O4 474.37091 NA MeJP NA NA +MJ070355 Odoratol C30H50O4 474.37091 NA MeJP NA NA +MJ070356 Quisquagenin C30H50O4 474.37091 NA MeJP NA NA +MJ070357 Salvilymitol; 3-Ketone C30H50O4 474.37091 NA MeJP NA NA +MJ070358 Sapelin A C30H50O4 474.37091 NA MeJP NA NA +MJ070359 Sapelin B C30H50O4 474.37091 NA MeJP NA NA +MJ070360 Secoergosterol; 5?,6?-Epoxide C30H50O4 474.37091 NA MeJP NA NA +MJ070361 Shoreic acid C30H50O4 474.37091 NA MeJP NA NA +MJ070362 Spergulagenin A C30H50O4 474.37091 NA MeJP NA NA +MJ070363 Tirucall-7-ene-3,23,24,25-tetrol, 3-Ketone C30H50O4 474.37091 NA MeJP NA NA +MJ070364 2-(4-Hydroxyphenyl)ethanol; 1-O-Tricosanoyl C31H54O3 474.407295 NA MeJP NA NA +MJ070365 2-Hydroxy-3,4-seco-3-friedelanoic aid, Me ester C31H54O3 474.407295 NA MeJP NA NA +MJ070366 24,25,26,26-Tetramethylcholest-23-ene-2,3,6-triol C31H54O3 474.407295 NA MeJP NA NA +MJ070367 Alnuserrutriol C31H54O3 474.407295 NA MeJP NA NA +MJ070368 Capiquinones; Capiquinone H C31H54O3 474.407295 NA MeJP NA NA +MJ070369 Lanost-9(11)-ene-3,24,25-triol, 3-Me ether C31H54O3 474.407295 NA MeJP NA NA +MJ070370 Araguspongine J C30H54N2O2 474.418528 NA MeJP NA NA +MJ070371 20,32-Cyclobishomo-20,22,31-hopatriene, 32-Propyl C35H54 474.422551 NA MeJP NA NA +MJ070372 5,9,25-Dotriacontatrienoic acid C32H58O2 474.443681 NA MeJP NA NA +MJ070373 C34 Botryococcene; 1,2,6,7,21,22,24,29-Octahydro C34H66 474.516452 NA MeJP NA NA +MJ070374 2,4,6-Tribromo-3-methylthio-1H-indole; 5-Bromo C9H5Br4NS 474.68762 NA MeJP NA NA +8301 ACE inhibitor KRQKYDI 474.76045 MH2+ Inhouse_peptide NA peptide +MJ070375 Bis[2,3-dimercapto-1,4-butanedioato(2-)-S,S']oxotechnetate(1-) C8H8O9S4Tc(-) 474.820155 NA MeJP NA NA +MJ070376 Tetrakis[?-(acetato-O:O')]-?-chlorodiruthenium C8H12ClO8Ru2 474.830769 NA MeJP NA NA +MJ070377 Discorhabdin C; 13-N-Me C19H15Br2N3O2 474.953102 NA MeJP NA NA +HMDB04112 Adenylylselenate C10H14N5O10PSe 474.964355 NA HMDB2010 NA NA +C05686 Adenylylselenate C10H14N5O10PSe 474.9644 NA KEGG NA NA +C14010 Sodium cloxacillin monohydrate C19H17ClN3O5S 475.0581 NA KEGG NA NA +C14011 Transferred to D02232 C19H17ClN3O5S 475.0581 NA KEGG NA NA +C14012 Transferred to D02233 C19H17ClN3O5S 475.0581 NA KEGG NA NA +C14013 Transferred to D02234 C19H17ClN3O5S 475.0581 NA KEGG NA NA +C14014 Transferred to D02235 C19H17ClN3O5S 475.0581 NA KEGG NA NA +C13142 Cefovecin sodium C17H18N5O6S2 475.0596 NA KEGG NA NA +MetaCyc03672 2,4-dinitrophenyl-S-glutathione [DNP-SG;S-(2,4-dinitrophenyl)glutathione;] C16H21N5O10S1 475.100913 NA metacyc NA NA +FL7AAAGL0015 Pelargonidin 3-(6''-acetylglucoside) C23H23O11 475.12403 138590-96-2 knapsack NA NA +PJ002225 CCNH C16H25N7O6S2 475.1308 NA PeJP NA NA +MJ070378 Tropenzile; Methobromide C24H30BrNO4 475.135821 NA MeJP NA NA +MJ070379 Keratan sulfate C16H29NO13S 475.13596 NA MeJP NA NA +C11595 E3040 glucuronide C22H25N3O7S 475.1413 NA KEGG NA NA +MJ070380 Ertapenem C22H25N3O7S 475.14132 NA MeJP NA NA +MJ070381 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,8-Di-Me ether, 7-O-(di-O-acetyl-?-L-rhamnopyranoside) C23H25NO10 475.147846 NA MeJP NA NA +MJ070382 Sevitropium(1+); Methanesulfonate C24H29NO5S2 475.148714 NA MeJP NA NA +MJ070383 Clathridine B C24H21N5O6 475.149183 NA MeJP NA NA +PJ002226 GPPCC C18H29N5O6S2 475.156 NA PeJP NA NA +PJ002227 NNND C16H25N7O10 475.1663 NA PeJP NA NA +3407 ACE inhibitor MYY 475.1664 ACE inhibitor Inhouse_peptide NA peptide +7949 synthetic peptide YYM 475.1664 ACE inhibitor Inhouse_peptide NA peptide +7970 synthetic peptide MYY 475.1664 antioxidative Inhouse_peptide NA peptide +7971 synthetic peptide YMY 475.1664 antioxidative Inhouse_peptide NA peptide +PJ002228 PNDM C18H29N5O8S 475.1737 NA PeJP NA NA +PJ002229 MYY C23H29N3O6S 475.1777 NA PeJP NA NA +MJ070384 Arzoxifene C28H29NO4S 475.181729 NA MeJP NA NA +MJ070385 Raloxifene; 2,3-Dihydro, trans C28H29NO4S 475.181729 NA MeJP NA NA +C16577 Codeine-6-glucuronide C24H29NO9 475.1842 NA KEGG NA NA +MJ070386 2,3,10,11-Tetrahydroxytetrahydroberberine, 2-Me ether, 11-O-?-D-glucopyranoside C24H29NO9 475.184231 NA MeJP NA NA +MJ070387 Mederrhodin B C24H29NO9 475.184231 NA MeJP NA NA +MJ070388 Menoxymycin B; Parent acid C24H29NO9 475.184231 NA MeJP NA NA +PJ002230 APCW C22H29N5O5S 475.189 NA PeJP NA NA +PJ002231 AQEE C18H29N5O10 475.1915 NA PeJP NA NA +MJ070389 Pipotiazine C24H33N3O3S2 475.196333 NA MeJP NA NA +C17375 OA-6129 D C20H33N3O8S 475.1988 NA KEGG NA NA +MJ070390 Antibiotic OA 6129D C20H33N3O8S 475.198835 NA MeJP NA NA +PJ002232 GDER C17H29N7O9 475.2027 NA PeJP NA NA +MJ070391 N-[[4-[[(4-Amino-2-quinazolinyl)amino]methyl]cyclohexyl]methyl]-1-naphthalenesulfonamide C26H29N5O2S 475.204195 NA MeJP NA NA +PJ002233 AAEW C22H29N5O7 475.2067 NA PeJP NA NA +MJ070392 Monatepil C28H30FN3OS 475.209361 NA MeJP NA NA +PJ002234 PTQM C19H33N5O7S 475.2101 NA PeJP NA NA +PJ002235 FFY C27H29N3O5 475.2107 NA PeJP NA NA +PJ002236 DRW C21H29N7O6 475.218 NA PeJP NA NA +MJ070393 Ipanguline D3; 2''-Epimer, 7-O-(phenylacetyl), 2'',3''-di-Ac C25H33NO8 475.220617 NA MeJP NA NA +MJ070394 Ipanguline D3; 7-O-(Phenylacetyl), 2'',3''-di-Ac C25H33NO8 475.220617 NA MeJP NA NA +MJ070395 Lankacidin Q C25H33NO8 475.220617 NA MeJP NA NA +PJ002237 PTCR C18H33N7O6S 475.2213 NA PeJP NA NA +PJ002238 SLQE C19H33N5O9 475.2278 NA PeJP NA NA +PJ002239 AKEE C19H33N5O9 475.2279 NA PeJP NA NA +MJ070396 Sibiromycin C24H33N3O7 475.23185 NA MeJP NA NA +MJ070397 1,2,15-Hetisantriol, 2-Benzoyl, 1-Ac C29H33NO5 475.235873 NA MeJP NA NA +MJ070398 Ecipramidil C29H33NO5 475.235873 NA MeJP NA NA +MJ070399 Sanyonamine; 11?-Acetoxy, 2-benzoyl C29H33NO5 475.235873 NA MeJP NA NA +MJ070400 5-(4-Chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl)-1H-pyrazole-3-carboxamide C29H34ClN3O 475.23904 NA MeJP NA NA +PJ002240 ATER C18H33N7O8 475.2391 NA PeJP NA NA +MJ070401 Stellarin G C23H33N5O6 475.243083 NA MeJP NA NA +PJ002241 GTLW C23H33N5O6 475.2431 NA PeJP NA NA +MJ070402 Fluspirilene C29H31F2N3O 475.243519 NA MeJP NA NA +PJ002242 PTKM C20H37N5O6S 475.2465 NA PeJP NA NA +MJ070403 Paraherquamide C C28H33N3O4 475.247106 NA MeJP NA NA +PJ002243 GPFR C22H33N7O5 475.2543 NA PeJP NA NA +MJ070404 Delpheline; 2,3-Didehydro, Ac, N-de-Et, N-Me C26H37NO7 475.257002 NA MeJP NA NA +MJ070405 Delpheline; 6-Ketone, O14-de-Me, O14-Ac C26H37NO7 475.257002 NA MeJP NA NA +MJ070406 Heteratisine; O6,O8-Di-Ac C26H37NO7 475.257002 NA MeJP NA NA +MJ070407 Ipanguline D3; 7-O-(Phenylacetyl), 3''-(2-methylbutanoyl) C26H37NO7 475.257002 NA MeJP NA NA +PJ002244 GLMR C19H37N7O5S 475.2577 NA PeJP NA NA +PJ002245 SLKE C20H37N5O8 475.2642 NA PeJP NA NA +MJ070408 Sisomicin; 2'-N-Formyl C20H37N5O8 475.264213 NA MeJP NA NA +EUR825 Lyso PE 16:0 [M+Na]+ C21H44NO7P 475.267488 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR825 Lyso PE 16:0 [M+Na]+ C21H44NO7P 475.267488 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR825 Lyso PE 16:0 [M+Na]+ C21H44NO7P 475.267488 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR825 Lyso PE 16:0 [M+Na]+ C21H44NO7P 475.267488 masses lipides attendues Inhousejuil11 NA NA +EUR849 Lyso PE 18:3 monoisotopic mass C23H42NO7P 475.269892 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR849 Lyso PE 18:3 monoisotopic mass C23H42NO7P 475.269892 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR849 Lyso PE 18:3 monoisotopic mass C23H42NO7P 475.269892 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR849 Lyso PE 18:3 monoisotopic mass C23H42NO7P 475.269892 masses lipides attendues Inhousejuil11 NA NA +HMDB11478 LysoPE(0:0/18:3(6Z,9Z,12Z)) C23H42NO7P 475.269897 NA HMDB2010 NA NA +HMDB11479 LysoPE(0:0/18:3(9Z,12Z,15Z)) C23H42NO7P 475.269897 NA HMDB2010 NA NA +HMDB11508 LysoPE(18:3(6Z,9Z,12Z)/0:0) C23H42NO7P 475.269897 NA HMDB2010 NA NA +HMDB11509 LysoPE(18:3(9Z,12Z,15Z)/0:0) C23H42NO7P 475.269897 NA HMDB2010 NA NA +PJ002246 STLR C19H37N7O7 475.2755 NA PeJP NA NA +PJ002247 VVKM C21H41N5O5S 475.2829 NA PeJP NA NA +MJ070409 Alangimarckine C29H37N3O3 475.283492 NA MeJP NA NA +MJ070410 Alangium Alkaloid AL64 C29H37N3O3 475.283492 NA MeJP NA NA +MJ070411 Tubulosine C29H37N3O3 475.283492 NA MeJP NA NA +C09248 Tubulosine C29H37N3O3 475.2835 NA KEGG NA NA +C09328 Alangimarckine C29H37N3O3 475.2835 NA KEGG NA NA +MJ070412 Funiculosin; 2''-Deoxy C27H41NO6 475.293388 NA MeJP NA NA +MJ070413 Netilmicin C21H41N5O7 475.300598 NA MeJP NA NA +C07657 Netilmicin C21H41N5O7 475.3006 NA KEGG NA NA +MJ070414 Anhydroholantogenin; 4-Amino-2,4,6-trideoxy-3-O-methyl-?-D-ribo-hexopyranoside C28H45NO5 475.329773 NA MeJP NA NA +MJ070415 Anhydroholantogenin; 4-Amino-2,4,6-trideoxy-3-O-methyl-?-D-xylo-hexopyranoside C28H45NO5 475.329773 NA MeJP NA NA +MJ070416 Anhydroholantogenin; 4-Amino-2,4,6-trideoxy-3-O-methyl-?-L-arabino-hexopyranoside C28H45NO5 475.329773 NA MeJP NA NA +8239 Antioxidative peptide LSKAQSDFG 475.72645 MH2+ Inhouse_peptide NA peptide +2896 neuropeptide from eyestalk of Macrobrachium rosenb KNEFIRF~ 475.75795 MH2+ Inhouse_peptide NA peptide +MJ070417 1,1,7-Tribromo-2,6,8-trichloro-3,7-dimethyl-3-octene C10H14Br3Cl3 475.771121 NA MeJP NA NA +MJ070418 1,5,7-Tribromo-2,6,8-trichloro-2,6-dimethyl-3-octene C10H14Br3Cl3 475.771121 NA MeJP NA NA +MJ070419 4-Bromo-3-(1-hydroxybutyl)-5-methoxy-5-methyl-2(5H)-furanone, 1'',1''-Dibromo, Ac C12H15Br3O5 475.846961 NA MeJP NA NA +MJ070420 Russuphelin C; 1-Me ether C19H12Cl4O6 475.938798 NA MeJP NA NA +FL3FECNSS005 6-Methoxyluteolin 3',4'-disulfate C16H12O13S2 475.97193 111509-40-1 knapsack NA NA +FL3FECNSS007 6-Hydroxyluteolin 3'-methyl ether 6,7-disulfate C16H12O13S2 475.97193 111509-41-2 knapsack NA NA +FL5FADNSS003 Isorhamnetin 3,7-di-O-sulfate C16H12O13S2 475.97193 79174-97-3 knapsack NA NA +FL5FADNSS004 Isorhamnetin 3,4'-di-O-sulfate C16H12O13S2 475.97193 110209-95-5 knapsack NA NA +FL5FCCNSS003 Quercetin 7-methyl ether 3,3'-disulfate;Rhamnetin 3,3'-disulfate;5-Hydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-7-methoxy-3-(sulfooxy)-4H-1-benzopyran-4-one C16H12O13S2 475.97193 116353-78-7 knapsack NA NA +MJ070421 3',4',5,7-Tetrahydroxy-6-methoxyflavone; 3',4'-Di-O-sulfate C16H12O13S2 475.971931 NA MeJP NA NA +MJ070422 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3,3'-O-Disulfate C16H12O13S2 475.971931 NA MeJP NA NA +MJ070423 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3,4'-Di-O-sulfate C16H12O13S2 475.971931 NA MeJP NA NA +MJ070424 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3,7-Di-O-sulfate C16H12O13S2 475.971931 NA MeJP NA NA +MJ070425 4',5,6,7-Tetrahydroxy-3'-methoxyflavone; 6,7-Di-O-sulfate C16H12O13S2 475.971931 NA MeJP NA NA +MJ070426 Adenylylselenate C10H15N5O10PSe 475.972175 NA MeJP NA NA +MJ070427 Ebrotidine C14H17BrN6O2S3 475.975848 NA MeJP NA NA +MJ070428 Antibiotic BE 40665D C22H21BrO7 476.047065 NA MeJP NA NA +MJ070429 Fringelite F C28H12O8 476.053217 NA MeJP NA NA +MJ070430 Angasiol C20H30Br2O3 476.05617 NA MeJP NA NA +MJ070431 Neoirienone C20H30Br2O3 476.05617 NA MeJP NA NA +MJ070432 6-Bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-1H-indole-3-carboxylic acid; Et ester C22H25BrN2O3S 476.076926 NA MeJP NA NA +MJ070433 Suxethonium(2+); Dibromide C16H34Br2N2O4 476.088532 NA MeJP NA NA +FL3FACGS0011 Luteolin 7-methylglucuronide C22H20O12 476.09547 76939-42-9 knapsack NA NA +FL3FACGS0071 Luteolin 5-glucuronide-6''-methyl ester;2-(3,4-Dihydroxyphenyl)-7-hydroxy-4-oxo-4H-1-benzopyran-5-yl beta-D-glucopyranosiduronic acid methyl ester C22H20O12 476.09547 180031-60-1 knapsack NA NA +FL3FADGS0005 Luteolin 3'-methyl ether 7-glucuronide C22H20O12 476.09547 29741-07-9 knapsack NA NA +FL3FAEGS0002 Luteolin 4'-methyl ether 7-glucuronide C22H20O12 476.09547 35110-20-4 knapsack NA NA +FL3FALGS0005 Isoetin 2'-(4''-acetylxyloside) C22H20O12 476.09547 134981-96-7 knapsack NA NA +FL3FEAGS0016 Hispidulin 7-glucuronide C22H20O12 476.09547 31105-76-7 knapsack NA NA +FL3FEAGS0044 Scutellarein 4'-methyl ether 7-glucuronide;Clerodendroside C22H20O12 476.09547 64924-06-7 knapsack NA NA +FL3FF8GS0001 5,7,2'-Trihydroxy-8-methoxyflavone 7-glucuronide C22H20O12 476.09547 - knapsack NA NA +FL3FFAGS0007 Isoscutellarein 4'-methyl ether 8-glucuronide C22H20O12 476.09547 71815-36-6 knapsack NA NA +FL5FABGS0003 Kaempferide 3-glucuronide C22H20O12 476.09547 71926-08-4 knapsack NA NA +FL5FACGS0046 Quercetin 3-(3''-acetyl-alpha-L-arabinofuranoside) C22H20O12 476.09547 54716-89-1 knapsack NA NA +FL5FCAGS0003 Rhamnocitrin 3-glucuronide C22H20O12 476.09547 52936-61-5 knapsack NA NA +FL5FDAGS0005 Kaempferol 3-methyl ether 7-glucuronide;Bracteoside;5-Hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid C22H20O12 476.09547 352312-68-6 knapsack NA NA +FL5FEAGL0009 Gomphrenol 3-glucoside C22H20O12 476.09547 121068-97-1 knapsack NA NA +FL5FFAGS0021 Herbacetin 8-(3''-acetyl-alpha-L-arabinopyranoside) C22H20O12 476.09547 58902-11-7 knapsack NA NA +FL5FFAGS0022 Herbacetin 8-(3''-acetylxyloside) C22H20O12 476.09547 68385-35-3 knapsack NA NA +MJ070434 2',4',5,5',7-Pentahydroxyflavone; 2'-O-(4-O-Acetyl-?-D-xylopyranoside) C22H20O12 476.095476 NA MeJP NA NA +MJ070435 2',5,6,7-Tetrahydroxyflavone; 6-Me ether, 7-O-?-D-glucuronopyranoside C22H20O12 476.095476 NA MeJP NA NA +MJ070436 2',5,7,8-Tetrahydroxyflavone; 8-Me ether, 7-O-?-D-glucuronoside C22H20O12 476.095476 NA MeJP NA NA +MJ070437 3',4',5,7-Tetrahydroxyflavone; 5-O-?-D-Glucuronopyranoside, Me ester C22H20O12 476.095476 NA MeJP NA NA +MJ070438 3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Glucuronopyranoside, Me ester C22H20O12 476.095476 NA MeJP NA NA +MJ070439 3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-?-D-Glucuronopyranoside C22H20O12 476.095476 NA MeJP NA NA +MJ070440 3,4',5,6,7-Pentahydroxyflavone; 6,7-Methylene ether, 3-O-?-D-glucopyranoside C22H20O12 476.095476 NA MeJP NA NA +MJ070441 3,4',5,7,8-Pentahydroxyflavone; 8-O-(3-O-Acetyl-?-D-xylopyranoside) C22H20O12 476.095476 NA MeJP NA NA +MJ070442 3,4',5,7,8-Pentahydroxyflavone; 8-O-(3-O-Acetyl-?-L-arabinopyranoside) C22H20O12 476.095476 NA MeJP NA NA +MJ070443 3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Glucuronopyranoside, Me ester C22H20O12 476.095476 NA MeJP NA NA +MJ070444 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-?-D-Glucuronoside C22H20O12 476.095476 NA MeJP NA NA +MJ070445 3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-D-Glucuronopyranoside C22H20O12 476.095476 NA MeJP NA NA +MJ070446 4',5,7,8-Tetrahydroxyflavone; 8-O-?-D-Glucuronopyranoside, Me ester C22H20O12 476.095476 NA MeJP NA NA +MJ070447 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-?-D-Glucuronoside C22H20O12 476.095476 NA MeJP NA NA +MJ070448 4',5,7-Trihydroxy-3-methoxyflavone; 7-O-?-D-Glucuronopyranoside C22H20O12 476.095476 NA MeJP NA NA +MJ070449 4',5,7-Trihydroxy-6-methoxyflavone; 7-O-?-D-Glucuronopyranoside C22H20O12 476.095476 NA MeJP NA NA +MJ070450 5,6,7-Trihydroxy-4'-methoxyflavone; 7-O-?-D-Glucuronoside C22H20O12 476.095476 NA MeJP NA NA +MJ070451 5,7,8-Trihydroxy-4'-methoxyflavone; 8-O-?-D-Glucuronopyranoside C22H20O12 476.095476 NA MeJP NA NA +MJ070452 Desmoxyphyllin B; 5-Hydroxy, 7-O-?-D-glucopyranoside C22H20O12 476.095476 NA MeJP NA NA +MJ070453 Ellagic acid; 2,3,8-Tri-Me ether, 7-O-?-D-xylopyranoside C22H20O12 476.095476 NA MeJP NA NA +MJ070454 Ellagic acid; 3,8-Di-Me ether, 2-O-?-L-rhamnopyranoside C22H20O12 476.095476 NA MeJP NA NA +MJ070455 7-Chloro-5a,11a-didehydrotetracycline C22H21ClN2O8 476.098643 NA MeJP NA NA +MJ070456 Aureomycin; 12-ketone C22H21ClN2O8 476.098643 NA MeJP NA NA +MJ070457 Meclocycline C22H21ClN2O8 476.098643 NA MeJP NA NA +C13976 Carfecillin sodium C23H21N2O6S 476.1018 NA KEGG NA NA +C13977 Transferred to D02200 C23H21N2O6S 476.1018 NA KEGG NA NA +MJ070458 Xanthoviridicatin D C26H20O9 476.110732 NA MeJP NA NA +PJ002248 CCDH C16H24N6O7S2 476.1148 NA PeJP NA NA +MJ070459 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Chloral hemiacetal, Ac C23H31Cl3O4 476.128792 NA MeJP NA NA +FL2FAAGS0023 Naringenin 7-O-beta-D-glucoside 6''-acetate;5,7,4'-Trihydroxyflavanone 7-(6-acetylglucoside) C23H24O11 476.13186 252324-55-3 knapsack NA NA +FL3FBDGS0001 Luteolin 5,3'-dimethyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-4H-1-benzopyran-4-one C23H24O11 476.13186 172853-43-9 knapsack NA NA +FL3FCDCS0001 Orientin 7,3'-dimethyl ether C23H24O11 476.13186 89915-55-9 knapsack NA NA +FL3FCDCS0002 Isoorientin 7,3'-dimethyl ether;7,3'-Di-O-methylisoorientin;6-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C23H24O11 476.13186 74198-15-5 knapsack NA NA +FL3FCDGS0002 Luteolin 7,3'-dimethyl ether 5-glucoside C23H24O11 476.13186 83133-15-7 knapsack NA NA +FL3FCDGS0003 Luteolin 7,3'-dimethyl ether 4'-glucoside C23H24O11 476.13186 30271-21-7 knapsack NA NA +FL3FCECS0001 6-C-Glucopyranosylpilloin;Pilloin 6-C-beta-D-glucoside;6-beta-D-Glucopyranosyl-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C23H24O11 476.13186 135625-46-6 knapsack NA NA +FL3FCEGS0001 Luteolin 7,4'-dimethyl ether 3'-glucoside C23H24O11 476.13186 110559-12-1 knapsack NA NA +FL3FDCCS0001 Parkinsonin B;2-(3,4-dihydroxyphenyl)-8-alpha-D-Glucopyranosyl-5,7-dimethoxy-4H-1-benzopyran-4-one C23H24O11 476.13186 6980-22-9 knapsack NA NA +FL3FEACS0001 Abrusin;8-C-Glucosyl-6,7-di-O-methyl-scutellarein;8-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one C23H24O11 476.13186 120727-02-8 knapsack NA NA +FL3FEAGS0018 Scutellarein 6,7-dimethyl ether 4'-glucoside C23H24O11 476.13186 13020-19-4 knapsack NA NA +FL3FEAGS0021 Pectolinarigenin 7-glucoside C23H24O11 476.13186 53452-12-3 knapsack NA NA +FL3FEAGS0026 Scutellarein 7,4'-dimethyl ether 6-glucoside C23H24O11 476.13186 57498-69-8 knapsack NA NA +FL3FEAGS0052 Scutellarein 5,4'-dimethyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-6-hydroxy-5-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C23H24O11 476.13186 186466-61-5 knapsack NA NA +FL3FECGS0051 6-Hydroxyluteolin 6,3'-dimethyl eter 5-rhamnoside;5-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one C23H24O11 476.13186 223692-52-2 knapsack NA NA +FL3FF8GS0010 Skullcapflavone I 2'-O-glucoside;2-[2-(beta-D-Glucopyranosyloxy)phenyl]-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one C23H24O11 476.13186 175991-74-9 knapsack NA NA +FL3FFACS0002 Swertisin 8-methyl ether;Precatorin I;6-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one C23H24O11 476.13186 120727-05-1 knapsack NA NA +FL5FCBGL0001 Kaempferol 7,4'-dimethyl ether 3-glucoside;3-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C23H24O11 476.13186 52208-77-2 knapsack NA NA +FL5FCFGS0001 Quercetin 7,3',4'-trimethyl ether 3-alpha-L-arabinopyranoside C23H24O11 476.13186 96910-92-8 knapsack NA NA +FL5FDAGS0004 Camaroside C23H24O11 476.13186 150853-97-7 knapsack NA NA +FL5FDAGS0006 Kaempferol 3,5-dimethyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-2-(4-hydroxyphenyl)-3,5-dimethoxy-4H-1-benzopyran-4-one C23H24O11 476.13186 223920-19-2 knapsack NA NA +FL5FDBGS0001 Ermanin 7-glucoside C23H24O11 476.13186 41756-09-6 knapsack NA NA +FL5FDECS0001 5,7,3'-Trihydroxy-3,4'-dimethoxyflavone 8-C-rhamnopyranoside C23H24O11 476.13186 106132-80-3 knapsack NA NA +FL5FDEGS0003 Quercetin 3,4'-dimethyl ether 7-rutinoside C23H24O11 476.13186 - knapsack NA NA +FL5FEAGS0013 Eupalin C23H24O11 476.13186 29617-75-2 knapsack NA NA +FL5FEAGS0014 Eupalitin 5-rhamnoside C23H24O11 476.13186 71468-51-4 knapsack NA NA +FLIA1LGS0003 7,2'-Dihydroxy-3',4'-dimethoxyisoflavone 7-O-glucoside C23H24O11 476.13186 113235-89-5 knapsack NA NA +FLIAEACS0001 Volubilinin C23H24O11 476.13186 58930-58-8 knapsack NA NA +FLIAEAGS0004 Irisolidone 7-O-glucoside;Kakkalidone C23H24O11 476.13186 6009-88-7 knapsack NA NA +FLIAEAGS0005 7-O-Methyltectorigenin 4'-O-glucoside C23H24O11 476.13186 19316-92-8 knapsack NA NA +FLIAEAGS0010 7-O-Methyltectorigenin 4'-O-galactoside C23H24O11 476.13186 116988-14-8 knapsack NA NA +FLIB1LGS0001 Onogenin 7-O-glucoside;Onoside C23H24O11 476.13186 96304-52-8 knapsack NA NA +MJ070460 1,2,4,5-Tetrahydroxy-7-methylanthraquinone; 2,5-Di-Me ether, 4-O-?-D-glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070461 1,3,4,5,7-Pentahydroxy-2-methylanthraquinone; 4,7-Di-Me ether, 3-O-?-L-rhamnopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070462 1,3,6,8-Tetrahydroxy-2-methylanthraquinone; 6,8-Di-Me ether, 1-O-?-D-galactopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070463 1,3,6,8-Tetrahydroxy-2-methylanthraquinone; 6,8-Di-Me ether, 1-O-?-D-glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070464 10-Hydroxyaloin, 6'-Ac C23H24O11 476.131861 NA MeJP NA NA +MJ070465 2',3',4',7-Tetrahydroxyisoflavone; 3',4'-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070466 2',5,7,8-Tetrahydroxyflavone; 7,8-Di-Me ether, 2'-O-?-D-glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070467 3',4',5',6-Tetrahydroxyflavanone; 3',4'-Methylene, 5'-Me ether, 6-O-?-D-glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070468 3',4',5,7-Tetrahydroxyisoflavone; 3',4'-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070469 3',4',6,7-Tetrahydroxyisoflavone; 4',6-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070470 3',5-Dihydroxy-4',7-dimethoxyflavone; 3'-O-?-D-Glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070471 3,3',4',5,7-Pentahydroxy-8-C-rhamnopyranosylflavone; 3,4'-Di-Me ether C23H24O11 476.131861 NA MeJP NA NA +MJ070472 3,4',5,7,8-Pentahydroxyflavone; 7,8-Di-Me ether, 3-O-?-L-rhamnopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070473 3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-?-L-Rhamnopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070474 3,4',5-Trihydroxy-6,7-dimethoxyflavone; 3-O-?-L-Rhamnopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070475 3,4',5-Trihydroxy-6,7-dimethoxyflavone; 5-O-?-L-Rhamnopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070476 3,5-Dihydroxy-3',4',7-trimethoxyflavone; 3-O-?-L-Arabinopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070477 3,5-Dihydroxy-4',7-dimethoxyflavone; 3-O-?-D-Glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070478 4',5,6,7-Tetrahydroxyflavone; 4',5-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070479 4',5,6,7-Tetrahydroxyisoflavone; 4',6-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070480 4',5,6,7-Tetrahydroxyisoflavone; 6,7-Di-Me ether, 4'-O-?-D-galactopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070481 4',5,6,7-Tetrahydroxyisoflavone; 6,7-Di-Me ether, 4'-O-?-D-glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070482 4',5,7,8-Tetrahydroxyisoflavone; 4',8-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070483 4',5,7-Trihydroxy-3',6-dimethoxyflavone; 5-O-?-L-Rhamnopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070484 4',5,7-Trihydroxyflavanone, 7-O-(6-O-Acetyl-?-D-glucopyranoside) C23H24O11 476.131861 NA MeJP NA NA +MJ070485 4',5-Dihydroxy-3',7-dimethoxyflavone; 4'-O-?-D-Glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070486 4',5-Dihydroxy-3',7-dimethoxyflavone; 5-O-?-D-Glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070487 4',5-Dihydroxy-3,7-dimethoxyflavone; 4'-O-?-D-Glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070488 4',5-Dihydroxy-6,7-dimethoxyflavone; 4'-O-?-D-Glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070489 4',5-Dihydroxy-6,7-dimethoxyflavone; 5-O-?-D-Galactopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070490 4',7-Dihydroxy-3',5-dimethoxyflavone; 4'-O-?-D-Glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070491 4',7-Dihydroxy-3',5-dimethoxyflavone; 7-O-?-D-Glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070492 5,6-Dihydroxy-4',7-dimethoxyflavone; 6-O-?-D-Glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070493 5,7-Dihydroxy-3,4'-dimethoxyflavone; 7-O-?-D-Glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070494 5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-?-D-Glucopyranoside C23H24O11 476.131861 NA MeJP NA NA +MJ070495 6-C-Glucopyranosyl-4',5,7,8-tetrahydroxyflavone; 7,8-Di-Me ether C23H24O11 476.131861 NA MeJP NA NA +MJ070496 8-Glucopyranosyl-3',4',5,7-tetrahydroxyisoflavone; 3',5-Di-Me ether C23H24O11 476.131861 NA MeJP NA NA +MJ070497 Abrusin C23H24O11 476.131861 NA MeJP NA NA +MJ070498 Aloin, 7-Hydroxy, 6'-Ac C23H24O11 476.131861 NA MeJP NA NA +MJ070499 Crenatoside; 3-De-O-rhamnosyl C23H24O11 476.131861 NA MeJP NA NA +MJ070500 Granatomycin D; 10-Hydroxy, Me ester C23H24O11 476.131861 NA MeJP NA NA +MJ070501 Isoorientin; 3',7-Di-Me ether C23H24O11 476.131861 NA MeJP NA NA +MJ070502 Isoorientin; 4',7-Di-Me ether C23H24O11 476.131861 NA MeJP NA NA +MJ070503 Orientin; 1''-Epimer, 5,7-di-Me ether C23H24O11 476.131861 NA MeJP NA NA +MJ070504 Orientin; 3',7-Di-Me ether C23H24O11 476.131861 NA MeJP NA NA +MJ070505 Volubilinin C23H24O11 476.131861 NA MeJP NA NA +MJ070506 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-?-L-Rhamnopyranoside C23H25O11(+) 476.131861 NA MeJP NA NA +MJ070507 Antibiotic SB 217452 C16H24N6O9S 476.132547 NA MeJP NA NA +MJ070508 Streptonigrin; 10'-Demethoxy C24H20N4O7 476.133199 NA MeJP NA NA +MJ070509 Acefurtiamine C21H24N4O7S 476.136569 NA MeJP NA NA +MJ070510 Temocapril C23H28N2O5S2 476.143963 NA MeJP NA NA +MJ070511 Feclobuzone C27H25ClN2O4 476.150285 NA MeJP NA NA +PJ002249 NNDD C16H24N6O11 476.1503 NA PeJP NA NA +PJ002250 SCMH C17H28N6O6S2 476.1512 NA PeJP NA NA +MJ070512 10-Hydroxyoleoside, 10-Ac, di-Me ester C20H28O13 476.15299 NA MeJP NA NA +MJ070513 2,4-Dihydroxybenzoic acid; 4-Me ether, Me ester, 2-O-[?-D-xylopyranosyl(1?6)-?-D-glucopyranoside] C20H28O13 476.15299 NA MeJP NA NA +MJ070514 2,5-Dihydroxybenzoic acid; 5-Me ether, 2-O-[ ?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside], Me ester C20H28O13 476.15299 NA MeJP NA NA +MJ070515 3,4-Dihydroxybenzoic acid; 3-Me ether, 4-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C20H28O13 476.15299 NA MeJP NA NA +MJ070516 Arabinitol, 5-O-(6-O-3,4-Dihydroxy-E-cinnamoyl-?-D-glucopyranoside) C20H28O13 476.15299 NA MeJP NA NA +MJ070517 5-(13-Methyltetradecyl)-1,3-benzenediol; Di-O-sulfate C21H32O8S2 476.153859 NA MeJP NA NA +PJ002251 PDDM C18H28N4O9S 476.1577 NA PeJP NA NA +MJ070518 Mitrasulgynine C23H28N2O7S 476.161721 NA MeJP NA NA +FL2FABGM0001 Matteucinol 7-O-glucoside C24H28O10 476.16824 101395-11-3 knapsack NA NA +MJ070519 1,10:2,3-Diepoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide; 8-(2-Acetoxymethyl-2Z-butenoyl), 15-Ac C24H28O10 476.168247 NA MeJP NA NA +MJ070520 1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(3-Methyl-2-butenoyl), 13,14-di-Ac C24H28O10 476.168247 NA MeJP NA NA +MJ070521 1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-Angeloyl, 13,14-di-Ac C24H28O10 476.168247 NA MeJP NA NA +MJ070522 10,14-Epoxy-2,8,9-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Acetoxy-2E-butenoyl), 9-Ac C24H28O10 476.168247 NA MeJP NA NA +MJ070523 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-[(2E-Butenoyl)-(?6)-?-D-glucopyranoside] C24H28O10 476.168247 NA MeJP NA NA +MJ070524 2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Angeloyl, 13,14-di-Ac C24H28O10 476.168247 NA MeJP NA NA +MJ070525 2,8,9,15-Tetrahydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8,9-Bis(2-methylpropenoyl), Me ester C24H28O10 476.168247 NA MeJP NA NA +MJ070526 2-(4-Hydroxyphenyl)ethanol; 1-O-[4-Hydroxy-3-methoxycinnamoyl-(?4)-?-D-glucopyranoside] C24H28O10 476.168247 NA MeJP NA NA +MJ070527 2-(4-Hydroxyphenyl)ethanol; 1-O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranoside] C24H28O10 476.168247 NA MeJP NA NA +MJ070528 4',5,7-Trihydroxy-6,8-dimethylflavanone, 4'-Me ether, 7-O-?-D-glucopyranoside C24H28O10 476.168247 NA MeJP NA NA +MJ070529 Agrimonolide, 6-O-?-D-Glucopyranoside C24H28O10 476.168247 NA MeJP NA NA +MJ070530 Aloesin; 2'-O-Tigloyl C24H28O10 476.168247 NA MeJP NA NA +MJ070531 Aucubigenin; 1-O-(6-O-Cinnamoyl-?-D-glucopyranoside) C24H28O10 476.168247 NA MeJP NA NA +MJ070532 Aucubigenin; 10-O-Cinnamoyl, 1-O-?-D-glucopyranoside C24H28O10 476.168247 NA MeJP NA NA +MJ070533 Bipinnatin B; 15S,16-Epoxide, 17-deoxo C24H28O10 476.168247 NA MeJP NA NA +PJ002252 GSPCN C17H28N6O8S 476.169 NA PeJP NA NA +MJ070534 Ribitol; 3,4-Di-O-?-D-glucopyranoside C17H32O15 476.17412 NA MeJP NA NA +PJ002253 AEEE C18H28N4O11 476.1755 NA PeJP NA NA +MJ070535 2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol, 3,4-Methylene, 3',5'-di-Me ether, benzoyl C28H28O7 476.183503 NA MeJP NA NA +MJ070536 Garcinisidone C C28H28O7 476.183503 NA MeJP NA NA +MJ070537 Garcinisidone D C28H28O7 476.183503 NA MeJP NA NA +PJ002254 ACHF C21H28N6O5S 476.1842 NA PeJP NA NA +MJ070538 Win 45306; N,N'-Di-Me C26H25FN4O4 476.185983 NA MeJP NA NA +PJ002255 SNQE C17H28N6O10 476.1867 NA PeJP NA NA +MJ070539 Ircinianin; Sulfate C25H32O7S 476.186874 NA MeJP NA NA +MJ070540 1,2,4-Benzenetriol; 1,2-Di-Me ether, 4-O-[3-O-methyl-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C21H32O12 476.189376 NA MeJP NA NA +MJ070541 2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?3)-?-D-glucopyranoside] C21H32O12 476.189376 NA MeJP NA NA +MJ070542 4-Isopropyl-1,2-benzenediol; 1-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] C21H32O12 476.189376 NA MeJP NA NA +MJ070543 Kanokoside A C21H32O12 476.189376 NA MeJP NA NA +C17428 Kanokoside A C21H32O12 476.1894 NA KEGG NA NA +3770 ACE inhibitor AHSY 476.19 ACE inhibitor Inhouse_peptide NA peptide +PJ002256 PTEM C19H32N4O8S 476.1941 NA PeJP NA NA +MJ070544 Camptothecin, 10-Methoxy, 20-hexanoyl C27H28N2O6 476.194736 NA MeJP NA NA +MJ070545 Katsumadain A C32H28O4 476.198759 NA MeJP NA NA +MJ070546 Katsumadain B C32H28O4 476.198759 NA MeJP NA NA +PJ002257 GSQW C21H28N6O7 476.202 NA PeJP NA NA +C11132 2-Methoxyestrone 3-glucuronide C25H32O9 476.2046 NA KEGG NA NA +MJ070547 1,8,9-Trihydroxy-3,11(13)-eudesmadien-12,6-olide, 1,8-Bis(2,3-epoxy-2-methylbutanoyl) C25H32O9 476.204632 NA MeJP NA NA +MJ070548 1,8,9-Trihydroxy-3,11(13)-eudesmadien-12,6-olide, 8,9-Bis(2,3-epoxy-2-methylbutanoyl) C25H32O9 476.204632 NA MeJP NA NA +MJ070549 3,3',4,4',5,5',7-Heptamethoxy-7,9':7',9-diepoxylignan C25H32O9 476.204632 NA MeJP NA NA +MJ070550 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl), 3-(3-methyl-2-oxobutanoyl) C25H32O9 476.204632 NA MeJP NA NA +MJ070551 5-Hydroxy-1,7-bis(4-hydroxyphenyl)-3-heptanone, 5-O-?-D-Glucopyranoside C25H32O9 476.204632 NA MeJP NA NA +MJ070552 6-Hydroxychaparrin; 6?-form, 12-Ketone, 6-O-(3-methyl-2-butenoyl) C25H32O9 476.204632 NA MeJP NA NA +MJ070553 6-Hydroxychaparrin; 6?-form, 13,18-Didehydro, 6-O-(3-methyl-2-butenoyl) C25H32O9 476.204632 NA MeJP NA NA +MJ070554 6-Hydroxychaparrin; 6?-form, 2-Ketone, 6-O-(3-methyl-2-butenoyl) C25H32O9 476.204632 NA MeJP NA NA +MJ070555 6-Hydroxychaparrin; 6?-form, 2-Ketone, 6-tigloyl C25H32O9 476.204632 NA MeJP NA NA +MJ070556 8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-O-[[2-[(3,4-Dihydroxy-2-methylenebutanoyl)oxy]methyl]-4-hydroxy-2E-butenoyl] C25H32O9 476.204632 NA MeJP NA NA +MJ070557 Alnusdiol; 11-O-?-D-Glucopyranoside C25H32O9 476.204632 NA MeJP NA NA +MJ070558 Aurovertin B; 1''-Hydroxy C25H32O9 476.204632 NA MeJP NA NA +MJ070559 Glaucarubol; 13,18-Didehydro, 2-ketone, 15-(2-methylbutanoyl) C25H32O9 476.204632 NA MeJP NA NA +MJ070560 Schkuhripinnatolide A; 8-(4-Hydroxy-2-hydroxymethyl-2-butenoyl) C25H32O9 476.204632 NA MeJP NA NA +MJ070561 Simalikalactone D; 15-Deacyl, 15-(3-methyl-2-butenoyl) C25H32O9 476.204632 NA MeJP NA NA +PJ002258 AQQM C18H32N6O7S 476.2053 NA PeJP NA NA +PJ002259 GGGGVM C18H32N6O7S 476.2054 NA PeJP NA NA +PJ002260 SLEE C19H32N4O10 476.2119 NA PeJP NA NA +PJ002261 PVMM C20H36N4O5S2 476.2127 NA PeJP NA NA +PJ002262 SPHH C20H28N8O6 476.2132 NA PeJP NA NA +PJ002263 GNMR C17H32N8O6S 476.2166 NA PeJP NA NA +MJ070562 Estra-1,3,5(10)-triene-3,16,17-triol, 3-Benzoyl, 16,17-di-Ac C29H32O6 476.219888 NA MeJP NA NA +MJ070563 Flunisolide; 21-Ac C26H33FO7 476.221031 NA MeJP NA NA +HMDB04999 Loperamide C29H33ClN2O2 476.22305 http://www.hmdb.ca/metabolites/HMDB04999 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04999 Loperamide C29H33ClN2O2 476.22305 http://www.hmdb.ca/metabolites/HMDB04999 HMDB NA NA +HMDB04999 Loperamide C29H33ClN2O2 476.22305 http://www.hmdb.ca/metabolites/HMDB04999 PFEM_hmdb_metabocards_blood NA blood +HMDB04999 Loperamide C29H33ClN2O2 476.22305 HMDB04999 PFEM_hmdb_metabocards_official NA NA +HMDB04999 Loperamide C29H33ClN2O2 476.223053 NA HMDB2010 NA NA +MJ070564 Loperamide C29H33ClN2O2 476.223056 NA MeJP NA NA +C07080 Loperamide C29H33ClN2O2 476.2231 NA KEGG NA NA +C07081 Transferred to D00364 C29H33ClN2O2 476.2231 NA KEGG NA NA +C07082 Transferred to D00365 C29H33ClN2O2 476.2231 NA KEGG NA NA +PJ002264 SNKE C18H32N6O9 476.2231 NA PeJP NA NA +PJ002265 PPTY C23H32N4O7 476.2271 NA PeJP NA NA +PJ002266 VVEM C20H36N4O7S 476.2305 NA PeJP NA NA +3417 ACE inhibitor PTHIKWGD 476.23095 MH2+ Inhouse_peptide NA peptide +MJ070565 20-Hydroxycylindrocarine; N-Benzoyl C28H32N2O5 476.231122 NA MeJP NA NA +MJ070566 N-[17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-3-(3-furanyl)-N-methyl-2-propenamide C28H32N2O5 476.231122 NA MeJP NA NA +PJ002267 SSQR C17H32N8O8 476.2343 NA PeJP NA NA +PJ002268 GSKW C22H32N6O6 476.2384 NA PeJP NA NA +C11061 all-trans-Retinoyl-beta-glucuronide C26H36O8 476.241 NA KEGG NA NA +MJ070567 1,2,3,11-Tetrahydroxy-16-kauren-15-one, 2,3,11-Tri-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070568 1,3,7,14-Tetrahydroxy-16-kauren-15-one, 1,3,14-Tri-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070569 1,3,7,14-Tetrahydroxy-16-kauren-15-one, 1,3,7-Tri-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070570 16-Kaurene-1,3,7,11,15-pentol, 15-Ketone, 1,7,11-tri-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070571 16-Kaurene-3,6,7,11,15-pentol, 11-Ketone, 3,7,15-tri-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070572 16-Kaurene-3,6,7,11,15-pentol, 15-Ketone, 3,6,7-tri-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070573 17,18-Epoxy-1(19),6,10(17),14-xenicatetraene-11,13,18-triol; 6?,7?-Epoxide, tri-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070574 17,18-Epoxy-1(19),6,10(17),14-xenicatetraene-9,11,13,18-tetrol; 11,13,18-Tri-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070575 18,19-Epoxy-12,14-clerodadiene-2,6,18,19-tetrol, 6-Ketone, 2,18,19-tri-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070576 18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 2,18,19-Tri-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070577 2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 19-(2-Methylpropanoyl), 6-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070578 2,3,6,11-Tetrahydroxy-16-kauren-15-one, 2,3,6-Tri-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070579 2,3,7,14-Tetrahydroxy-16-kauren-15-one, 2,3,14-Tri-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070580 2,3,7,14-Tetrahydroxy-16-kauren-15-one, 2,3,7-Tri-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070581 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 2,9,10-Tri-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070582 2,8,9,14-Tetrahydroxy-5,11-briaradien-18,7-olide, 9-Ketone, 2-butanoyl, 14-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070583 4(20),11-Taxadiene-5,7,9,10,13-pentol, 13-Ketone, 7,9,10-tri-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070584 7,20-Epoxy-16-kaurene-6,7,11,15-tetrol, 6,11,15-Tri-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070585 8,17-Epoxy-2,9,12-trihydroxy-5,13-briaradien-18,7-olide, 2-Butanoyl, 12-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070586 8,17-Epoxy-2,9,14-trihydroxy-5,11-briaradien-18,7-olide; 2-Butanoyl, 14-Ac C26H36O8 476.241018 NA MeJP NA NA +MJ070587 Austalide H C26H36O8 476.241018 NA MeJP NA NA +MJ070588 Waixenicin B C26H36O8 476.241018 NA MeJP NA NA +MJ070589 Xenicin; O8-De-Ac, 12-epimer C26H36O8 476.241018 NA MeJP NA NA +MJ070590 Xeniculin C26H36O8 476.241018 NA MeJP NA NA +HMDB03141 Retinoyl b-glucuronide C26H36O8 476.241028 NA HMDB2010 NA NA +HMDB03141 Retinoyl beta-glucuronide C26H36O8 476.24103 http://www.hmdb.ca/metabolites/HMDB03141 HMDB NA NA +HMDB03141 Retinoyl beta-glucuronide C26H36O8 476.24103 HMDB03141 PFEM_hmdb_metabocards_official NA NA +7567 ACE inhibitor KVREGTTY 476.2415 MH2+ Inhouse_peptide NA peptide +PJ002269 AQKM C19H36N6O6S 476.2417 NA PeJP NA NA +MJ070591 Variabiline C32H32N2O2 476.246378 NA MeJP NA NA +PJ002270 ALHH C21H32N8O5 476.2496 NA PeJP NA NA +PJ002271 ACKR C18H36N8O5S 476.253 NA PeJP NA NA +FL2FAANI0008 Hydroxysophoranone C30H36O5 476.25627 90686-12-7 knapsack NA NA +FL2FAANI0009 Amorilin C30H36O5 476.25627 83474-69-5 knapsack NA NA +FL4D1ANI0002 3,7,4'-Trihydroxy-8,3',5'-triprenylflavanone C30H36O5 476.25627 90686-14-9 knapsack NA NA +FLIBAANI0002 Sophoraisoflavanone C C30H36O5 476.25627 133740-38-2 knapsack NA NA +FLNAQUNI0001 Calofloride C30H36O5 476.25627 88640-45-3 knapsack NA NA +MJ070592 2-[2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7-(3-methyl-2-butenyl)-5-benzofuranyl]-2,3-dihydro-7-hydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C30H36O5 476.256274 NA MeJP NA NA +MJ070593 2-[3,4-Dihydro-3-hydroxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-2,3-dihydro-7-hydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C30H36O5 476.256274 NA MeJP NA NA +MJ070594 3,11,23-Trioxocycloarta-1,7,16,24-tetraen-26-oic acid; 24Z-form C30H36O5 476.256274 NA MeJP NA NA +MJ070595 3,4',7-Trihydroxy-3',5',8-triprenylflavanone C30H36O5 476.256274 NA MeJP NA NA +MJ070596 4',5,7-Trihydroxy-3',5',6-triprenylflavanone C30H36O5 476.256274 NA MeJP NA NA +MJ070597 4',5,7-Trihydroxy-3',5',8-triprenylflavanone C30H36O5 476.256274 NA MeJP NA NA +MJ070598 4',5,7-Trihydroxy-3',6,8-triprenylflavanone C30H36O5 476.256274 NA MeJP NA NA +MJ070599 ?-Hydroxyanthrone B C30H36O5 476.256274 NA MeJP NA NA +MJ070600 Calofloride C30H36O5 476.256274 NA MeJP NA NA +MJ070601 Mulberrofuran Z C30H36O5 476.256274 NA MeJP NA NA +MJ070602 Sophoraisoflavanone C C30H36O5 476.256274 NA MeJP NA NA +MJ070603 Betamethasone; 17-Pentanoyl C27H37FO6 476.257417 NA MeJP NA NA +MJ070604 Dexamethasone; 17-Pentanoyl C27H37FO6 476.257417 NA MeJP NA NA +MJ070605 Dexamethasone; 21-(2,2-Dimethylpropanoyl) C27H37FO6 476.257417 NA MeJP NA NA +PJ002272 SDKK C19H36N6O8 476.2595 NA PeJP NA NA +PJ002273 PVVY C24H36N4O6 476.2635 NA PeJP NA NA +PJ002274 TLLM C21H40N4O6S 476.2669 NA PeJP NA NA +C09420 Emetamine C29H36N2O4 476.2675 NA KEGG NA NA +MJ070606 Emetamine C29H36N2O4 476.267507 NA MeJP NA NA +MJ070607 4-Chloro-3-hydroxy-23-oxoergost-24(28)-en-21-oic acid, 4,5-Didehydro C28H41ClO4 476.269337 NA MeJP NA NA +PJ002275 SSKR C18H36N8O7 476.2707 NA PeJP NA NA +MJ070608 Tokaramide A C23H36N6O5 476.274718 NA MeJP NA NA +C14990 Cyclic-3,20-bis(1,2-ethanediyl C27H40O7 476.2774 NA KEGG NA NA +MJ070609 16,24-Epoxy-21,24,25-trihydroxy-17-cheilanthen-19,25-olide, 21-Ac C27H40O7 476.277403 NA MeJP NA NA +MJ070610 2,3,6,20,22,25-Hexahydroxycholesta-5,8,14-trien-7-one C27H40O7 476.277403 NA MeJP NA NA +MJ070611 3,7,12-Trihydroxy-25,26,27-trinor-11,15-dioxolanost-8-en-24-oic acid C27H40O7 476.277403 NA MeJP NA NA +MJ070612 8-Daucene-2,4,6,10-tetrol, 2,6-Diangeloyl, 10-Ac C27H40O7 476.277403 NA MeJP NA NA +MJ070613 8-Daucene-2,4,6,10-tetrol, 6,10-Diangeloyl, 2-Ac C27H40O7 476.277403 NA MeJP NA NA +MJ070614 Chelonaplysin A C27H40O7 476.277403 NA MeJP NA NA +MJ070615 Lucidenic acid G C27H40O7 476.277403 NA MeJP NA NA +MJ070616 Lucidenic acid H C27H40O7 476.277403 NA MeJP NA NA +MJ070617 Secopseudopterosin A; 2'-Ac C27H40O7 476.277403 NA MeJP NA NA +MJ070618 Secopseudopterosin A; 3'-Ac C27H40O7 476.277403 NA MeJP NA NA +MJ070619 Secopseudopterosin A; 4'-Ac C27H40O7 476.277403 NA MeJP NA NA +PJ002276 AKKM C20H40N6O5S 476.2781 NA PeJP NA NA +MJ070620 Thiobideoxynupharidine C30H40N2OS 476.286134 NA MeJP NA NA +FLIJ1ANR0001 4-O-alpha-Cadinylangolensin C31H40O4 476.29265 75917-91-8 knapsack NA NA +FLIJ1ANR0002 4-O-T-Cadinylangolensin C31H40O4 476.29265 75872-84-3 knapsack NA NA +MJ070621 4-O-Cadinylangolensin C31H40O4 476.292659 NA MeJP NA NA +PJ002277 TTKK C20H40N6O7 476.2959 NA PeJP NA NA +PJ002278 VVLF C25H40N4O5 476.2999 NA PeJP NA NA +MJ070622 9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, Phosphate C28H45O4P 476.305546 NA MeJP NA NA +MJ070623 12,16,22-Trihydroxy-24-methyl-25,24-scalaranolide, 22-Ac C28H44O6 476.313789 NA MeJP NA NA +MJ070624 2,3,14,20,22-Pentahydroxyergosta-7,24(28)-dien-6-one C28H44O6 476.313789 NA MeJP NA NA +MJ070625 22,23-Epoxy-2,3,14,20-tetrahydroxyergost-7-en-6-one C28H44O6 476.313789 NA MeJP NA NA +MJ070626 6,13:12,16-Diepoxy-8(19)-eunicellene-4,9,11-triol, 11-Ketone, 4-octanoyl C28H44O6 476.313789 NA MeJP NA NA +MJ070627 6,13:12,16-Diepoxy-8(19)-eunicellene-4,9,11-triol, 9-Ketone, 11-octanoyl C28H44O6 476.313789 NA MeJP NA NA +MJ070628 7,13-Labdadiene-3,15-diol, 3-Malonyl, 15-(3-methylbutanoyl) C28H44O6 476.313789 NA MeJP NA NA +MJ070629 7,13-Thyrsifloranediol, 13-(3-Methylbutanoyl), 7-malonyl C28H44O6 476.313789 NA MeJP NA NA +MJ070630 7-Labdene-2,3,15-triol, 15-Carboxylic acid, 2-(3-methyl-2-butenoyl), 3-Ac, Me ester C28H44O6 476.313789 NA MeJP NA NA +MJ070631 2-Hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinone C32H44O3 476.329045 NA MeJP NA NA +MJ070632 Alfileramine; Me ether C31H44N2O2 476.340278 NA MeJP NA NA +MJ070633 2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one C29H48O5 476.350174 NA MeJP NA NA +MJ070634 2,3,22,23-Tetrahydroxystigmast-24(28)-en-6-one C29H48O5 476.350174 NA MeJP NA NA +MJ070635 2-Eicosyl-5,7-dihydroxy-4H-1-benzopyran-4-one; 2,3-Dihydro, 2-hydroxy C29H48O5 476.350174 NA MeJP NA NA +MJ070636 28-Nor-12-oleanene-2,3,16,17,23-pentol C29H48O5 476.350174 NA MeJP NA NA +MJ070637 3,11,15,29-Tetrahydroxystigmast-5-en-7-one C29H48O5 476.350174 NA MeJP NA NA +MJ070638 3,5,26-Trihydroxycholestan-6-one, 26-Ac C29H48O5 476.350174 NA MeJP NA NA +MJ070639 Cholest-5-ene-1,3,11,18-tetrol, 18-Ac C29H48O5 476.350174 NA MeJP NA NA +MJ070640 Gloeophyllic acid A; Di-Me acetal C29H48O5 476.350174 NA MeJP NA NA +MJ070641 Xestokerol B; 7-Deoxy, 21,22R-dihydroxy C29H48O5 476.350174 NA MeJP NA NA +MJ070642 Carpaine; 1,2-Didehydro C28H48N2O4 476.361408 NA MeJP NA NA +MJ070643 3-(Octadecyloxy)-1,2-propanediol, 1-O-?-D-Lyxofuranoside C26H52O7 476.371304 NA MeJP NA NA +MJ070644 3-(Octadecyloxy)-1,2-propanediol, 1-O-?-D-Arabinopyranoside C26H52O7 476.371304 NA MeJP NA NA +MJ070645 11-Methylenepregnane-3,20-diamine, N3,N20,N20-Tri-Me, N3-benzoyl C32H48N2O 476.376664 NA MeJP NA NA +MJ070646 Buxocyclamine I; N20,N20-Di-Me, N3-benzoyl C32H48N2O 476.376664 NA MeJP NA NA +MJ070647 1,11,22,25-Hopanetetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070648 1,3,11-Trihydroxy-4,23-dimethyl-9,11-secoergost-22-en-9-one C30H52O4 476.38656 NA MeJP NA NA +MJ070649 16,17,19-Kauranetriol, 19-Decanoyl C30H52O4 476.38656 NA MeJP NA NA +MJ070650 2,5-Dihydroxy-3-methyl-6-tricosyl-1,4-benzoquinone C30H52O4 476.38656 NA MeJP NA NA +MJ070651 20,24-Epoxydammarane-3,11,25-triol C30H52O4 476.38656 NA MeJP NA NA +MJ070652 20,24-Epoxydammarane-3,12,25-triol C30H52O4 476.38656 NA MeJP NA NA +MJ070653 20,24-Epoxydammarane-3,17,25-triol C30H52O4 476.38656 NA MeJP NA NA +MJ070654 20,24-Epoxydammarane-3,24,25-triol C30H52O4 476.38656 NA MeJP NA NA +MJ070655 20,24-Epoxydammarane-3,25,26-triol C30H52O4 476.38656 NA MeJP NA NA +MJ070656 20,24-Epoxydammarane-3,6,25-triol C30H52O4 476.38656 NA MeJP NA NA +MJ070657 21-Baccharene-3,18,23,28-tetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070658 3,11,24-Trihydroxy-4,23-dimethyl-9,11-secoergost-22-en-9-one C30H52O4 476.38656 NA MeJP NA NA +MJ070659 3,12,16,22-Hopanetetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070660 3,14,21,24-Serratanetetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070661 3,14,21,30-Serratanetetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070662 3,6,16,22-Hopanetetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070663 4,23,24-Trimethylcholest-22-ene-1,3,6,11-tetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070664 4,23-Dimethylergost-22-ene-1,3,9,11-tetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070665 Casasequic acid C30H52O4 476.38656 NA MeJP NA NA +MJ070666 Cucurbit-5-ene-3,11,24,25-tetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070667 Cucurbit-5-ene-3,23,24,25-tetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070668 Cycloartane-3,11,16,24-tetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070669 Cycloartane-3,16,24,25-tetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070670 Cycloartane-3,24,25,28-tetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070671 Dammar-23-ene-3,12,20,25-tetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070672 Dammar-24-ene-2,3,12,20-tetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070673 Dammar-24-ene-3,12,17,20-tetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070674 Dammar-25-ene-3,12,20,24-tetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070675 Lanost-8-ene-2,3,24,25-tetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070676 Lanost-9(11)-ene-3,22,24,25-tetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070677 Panaxadiol; 1?-Hydroxy C30H52O4 476.38656 NA MeJP NA NA +MJ070678 Panaxadiol; 6?-Hydroxy C30H52O4 476.38656 NA MeJP NA NA +MJ070679 Salvilymitol C30H52O4 476.38656 NA MeJP NA NA +MJ070680 Sipholenol A C30H52O4 476.38656 NA MeJP NA NA +MJ070681 Sipholenol C C30H52O4 476.38656 NA MeJP NA NA +MJ070682 Siphonellinol C30H52O4 476.38656 NA MeJP NA NA +MJ070683 Taiwaniasterol A C30H52O4 476.38656 NA MeJP NA NA +MJ070684 Taiwaniasterol B C30H52O4 476.38656 NA MeJP NA NA +MJ070685 Taiwaniasterol C C30H52O4 476.38656 NA MeJP NA NA +MJ070686 Tirucall-7-ene-3,23,24,25-tetrol C30H52O4 476.38656 NA MeJP NA NA +MJ070687 6-Tricosyl-1,2,4-benzenetriol; 2,4-Di-Me ether C31H56O3 476.422945 NA MeJP NA NA +MJ070688 21,25-Dotriacontadienoic acid C32H60O2 476.459331 NA MeJP NA NA +C08070 Miconazole nitrate C18H14Cl4N2O 476.9817 NA KEGG NA NA +C08113 Cefotaxime sodium C16H16N5O7S2 477.0389 NA KEGG NA NA +MJ070689 CDPglycerol C12H21N3O13P2 477.05496 NA MeJP NA NA +MetaCyc03673 CDP-glycerol [] C12H21N3O13P2 477.054961 NA metacyc NA NA +C00513 CDP-glycerol C12H21N3O13P2 477.055 NA KEGG NA NA +C08423 4-Methoxyglucobrassicin C17H21N2O10S2 477.0638 NA KEGG NA NA +MJ070690 Suriclone C20H20ClN5O3S2 477.069608 NA MeJP NA NA +MJ070691 8-(Methylthio)octyl glucosinolate C16H31NO9S3 477.116093 NA MeJP NA NA +C17254 8-Methylthiooctyl glucosinolate C16H31NO9S3 477.1161 NA KEGG NA NA +MJ070692 2-Acetyl-2-decarboxamidotetracycline; 7-Chloro C23H24ClNO8 477.119044 NA MeJP NA NA +FL5FADGSN001 Isorhamnetin 7-alpha-D-Glucosamine;Quercetin 3'-methyl ether 7-alpha-D-Glucosamine;7-[(2-Amino-2-deoxy-alpha-D-glucopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C22H23NO11 477.12711 255724-10-8 knapsack NA NA +PJ002279 NDDD C16H23N5O12 477.1343 NA PeJP NA NA +MJ070693 Polyoxin L C16H23N5O12 477.134321 NA MeJP NA NA +MJ070694 Polyoxin N C16H23N5O12 477.134321 NA MeJP NA NA +PJ002280 GGDDD C16H23N5O12 477.1344 NA PeJP NA NA +FL7AAIGS0003 Malvidin 3-rhamnoside C23H25O11 477.13968 53925-28-3 knapsack NA NA +PJ002281 GSPCD C17H27N5O9S 477.153 NA PeJP NA NA +MJ070695 Griseoviridin C22H27N3O7S 477.15697 NA MeJP NA NA +MJ070696 4-[7-[[1-[(3-Chloro-2-thienyl)methyl]propyl]amino]-3H-imidazo[4,5-b]pyridin-3-yl]-N-ethyl-2,3-dihydroxycyclopentanecarboxamide C22H28ClN5O3S 477.160138 NA MeJP NA NA +PJ002282 CNNQ C16H27N7O8S 477.1642 NA PeJP NA NA +C11737 CB3717 C24H23N5O6 477.1648 NA KEGG NA NA +MJ070697 Ritanserin C27H25F2N3OS 477.168639 NA MeJP NA NA +PJ002283 SNEE C17H27N5O11 477.1707 NA PeJP NA NA +PJ002284 PCQM C18H31N5O6S2 477.1716 NA PeJP NA NA +MJ070698 Nictiazem C26H27N3O4S 477.172227 NA MeJP NA NA +MJ070699 Batimastat C23H31N3O4S2 477.175597 NA MeJP NA NA +MJ070700 Rocaglatic acid; Amide C27H27NO7 477.178752 NA MeJP NA NA +PJ002285 GSSNN C16H27N7O10 477.182 NA PeJP NA NA +PJ002286 PCCR C17H31N7O5S2 477.1828 NA PeJP NA NA +MJ070701 Pyridoxine; O1''-Me, O2''-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C20H31NO12 477.184625 NA MeJP NA NA +PJ002287 GSEW C21H27N5O8 477.186 NA PeJP NA NA +PJ002288 AQEM C18H31N5O8S 477.1894 NA PeJP NA NA +MJ070702 5-Benzyl 3-ethyl 2-methyl-6-phenyl-4-(phenylethynyl)-1,4-dihydro-3,5-pyridinedicarboxylate C31H27NO4 477.194008 NA MeJP NA NA +7880 peptide from actin, pork muscles DSGVT 477.1949 antibacterial Inhouse_peptide NA peptide +29 Myofibrillar DSGVT 477.196 celiac toxic Inhouse_peptide NA peptide +MJ070703 Ipanguline D3; 7-O-(2-Hydroxybenzoyl), 2'',3''-di-Ac C24H31NO9 477.199881 NA MeJP NA NA +PJ002289 GDMR C17H31N7O7S 477.2006 NA PeJP NA NA +PJ002290 SWW C25H27N5O5 477.2012 NA PeJP NA NA +MJ070704 Monodontamide F C25H27N5O5 477.201218 NA MeJP NA NA +MJ070705 Naamidine A; 14-Methoxy, O11-Me C25H27N5O5 477.201218 NA MeJP NA NA +MJ070706 Antibiotic I5B; Antibiotic I5B1 C23H32N3O6P 477.202872 NA MeJP NA NA +PJ002291 AAMW C22H31N5O5S 477.2046 NA PeJP NA NA +PJ002292 SDKE C18H31N5O10 477.2071 NA PeJP NA NA +PJ002293 PCKM C19H35N5O5S2 477.208 NA PeJP NA NA +PJ002294 GQHH C19H27N9O6 477.2085 NA PeJP NA NA +MJ070707 ?-Lumicolchicine; N-De-Ac, N-Me, N-(2-hydroxybenzyl) C28H31NO6 477.215137 NA MeJP NA NA +MJ070708 Antibiotic SNF 4435 C28H31NO6 477.215137 NA MeJP NA NA +MJ070709 Neoaureothin C28H31NO6 477.215137 NA MeJP NA NA +MJ070710 Speciosine C28H31NO6 477.215137 NA MeJP NA NA +PJ002295 SSER C17H31N7O9 477.2183 NA PeJP NA NA +PJ002296 ATTW C22H31N5O7 477.2224 NA PeJP NA NA +PJ002297 AKEM C19H35N5O7S 477.2257 NA PeJP NA NA +PJ002298 PPQH C21H31N7O6 477.2336 NA PeJP NA NA +MJ070711 Barbeline C25H35NO8 477.236267 NA MeJP NA NA +MJ070712 Lupinine, O-[?-D-Glucopyranosyl-(1?4)-4-hydroxy-E-cinnamoyl] C25H35NO8 477.236267 NA MeJP NA NA +MJ070713 Siwanine A; O16-De-Me, N-De-Et, N-Me C25H35NO8 477.236267 NA MeJP NA NA +PJ002299 ATMR C18H35N7O6S 477.237 NA PeJP NA NA +MJ070714 Monodontamide D; Deformyl C26H31N5O4 477.237604 NA MeJP NA NA +PJ002300 TTKE C19H35N5O9 477.2435 NA PeJP NA NA +PJ002301 GKHH C20H31N9O5 477.2448 NA PeJP NA NA +MJ070715 Almitrine C26H29F2N7 477.24525 NA MeJP NA NA +2632 synthetic fr, of human beta-CN (45-52) ACE inhibitor QPQPLIYP 477.2515 MH2+ Inhouse_peptide NA peptide +MJ070716 7-[5-([1,1'-Biphenyl]-4-ylmethoxy)-2-(4-morpholinyl)-3-oxocyclopentyl]-4-heptenoic acid C29H35NO5 477.251523 NA MeJP NA NA +MJ070717 Hitachimycin C29H35NO5 477.251523 NA MeJP NA NA +MJ070718 Paxilline; 1'-O-Ac C29H35NO5 477.251523 NA MeJP NA NA +PJ002302 TTTR C18H35N7O8 477.2547 NA PeJP NA NA +MJ070719 Epothilone C C26H39NO5S 477.254894 NA MeJP NA NA +C15694 Epothilone C C26H39NO5S 477.2549 NA KEGG NA NA +PJ002303 APKY C23H35N5O6 477.2588 NA PeJP NA NA +PJ002304 SLKM C20H39N5O6S 477.2621 NA PeJP NA NA +MJ070720 Paraherquamide A; 14-Deoxy C28H35N3O4 477.262756 NA MeJP NA NA +MJ070721 Paraherquamide G C28H35N3O4 477.262756 NA MeJP NA NA +PJ002305 GVFR C22H35N7O5 477.27 NA PeJP NA NA +MJ070722 Bicolorine; O1,O8-Di-Ac C26H39NO7 477.272652 NA MeJP NA NA +MJ070723 Delcorine; 6-Ketone C26H39NO7 477.272652 NA MeJP NA NA +MJ070724 Norerythrophlamine; O3-Ac C26H39NO7 477.272652 NA MeJP NA NA +MJ070725 Antibiotic I-SKB1 C20H39N5O8 477.279863 NA MeJP NA NA +PJ002306 FRR C21H35N9O4 477.2812 NA PeJP NA NA +EUR572 LysoPE(18:2) NA 477.285525 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR572 LysoPE(18:2) [M-H]- 477.285525 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR572 LysoPE(18:2) NA 477.285525 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR572 LysoPE(18:2) [M-H]- 477.285525 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR572 LysoPE(18:2) NA 477.285525 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR572 LysoPE(18:2) [M-H]- 477.285525 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR572 LysoPE(18:2) NA 477.285525 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR572 LysoPE(18:2) NA 477.285525 identifiés dans sérum NuGO HMDB NA NA +EUR572 LysoPE(18:2) NA 477.285525 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR572 LysoPE(18:2) [M-H]- 477.285525 identifies dans serum NuGO Inhousejuil11 NA NA +EUR572 LysoPE(18:2) NA 477.285525 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR572 LysoPE(18:2) NA 477.285525 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR844 Lyso PE 18:2 monoisotopic mass C23H44NO7P 477.285542 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR844 Lyso PE 18:2 monoisotopic mass C23H44NO7P 477.285542 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR844 Lyso PE 18:2 monoisotopic mass C23H44NO7P 477.285542 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR844 Lyso PE 18:2 monoisotopic mass C23H44NO7P 477.285542 masses lipides attendues Inhousejuil11 NA NA +HMDB11477 LysoPE(0:0/18:2(9Z,12Z)) C23H44NO7P 477.285553 NA HMDB2010 NA NA +HMDB11507 LysoPE(18:2(9Z,12Z)/0:0) C23H44NO7P 477.285553 NA HMDB2010 NA NA +EUR571 LysoPE(18:2) NA 477.285575 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR571 LysoPE(18:2) [M-H]+ 477.285575 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR571 LysoPE(18:2) NA 477.285575 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR571 LysoPE(18:2) [M-H]+ 477.285575 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR571 LysoPE(18:2) NA 477.285575 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR571 LysoPE(18:2) [M-H]+ 477.285575 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR571 LysoPE(18:2) NA 477.285575 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR571 LysoPE(18:2) NA 477.285575 identifiés dans sérum NuGO HMDB NA NA +EUR571 LysoPE(18:2) NA 477.285575 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR571 LysoPE(18:2) [M-H]+ 477.285575 identifies dans serum NuGO Inhousejuil11 NA NA +EUR571 LysoPE(18:2) NA 477.285575 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR571 LysoPE(18:2) NA 477.285575 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +MJ070726 Antibiotic L 697318 C30H39NO4 477.287908 NA MeJP NA NA +MJ070727 Vapiprost C30H39NO4 477.287908 NA MeJP NA NA +MJ070728 Zygosporin D; 17-Deoxo, 18-deoxy, 21-Ac C30H39NO4 477.287908 NA MeJP NA NA +PJ002307 ALKF C24H39N5O5 477.2951 NA PeJP NA NA +MJ070729 Pumafentrine C29H39N3O3 477.299142 NA MeJP NA NA +MJ070730 3,7,14,16,20-Pentahydroxy-6-cevanone C27H43NO6 477.309038 NA MeJP NA NA +MJ070731 Antibiotic PF 1163A C27H43NO6 477.309038 NA MeJP NA NA +MJ070732 Bicolorine; O1,O8,O14-Tri-Me, O6-Ac C27H43NO6 477.309038 NA MeJP NA NA +MJ070733 Labiatamide A; 3-Deacetoxy C27H43NO6 477.309038 NA MeJP NA NA +C07656 Gentamicin C1 C21H43N5O7 477.3162 NA KEGG NA NA +MJ070734 Antibiotic XK 62-6 C21H43N5O7 477.316248 NA MeJP NA NA +MJ070735 Gentamicin C; Gentamicin C1a, 1-N-Et C21H43N5O7 477.316248 NA MeJP NA NA +MetaCyc03674 gentamicin [] C21H43N5O7 477.316249 1403-66-3 metacyc NA NA +MJ070736 3,14-Dihydroxypregnan-20-one, 3-O-(4-Amino-2,4,6-trideoxy-3-O-methyl-?-D-ribo-hexopyranoside) C28H47NO5 477.345423 NA MeJP NA NA +3985 NA GMNRRPIL 477.76315 MH2+ Inhouse_peptide NA peptide +3667 NA KKFHLRK 477.7965 MH2+ Inhouse_peptide NA peptide +FL5FACNSS011 Quercetin 7,4'-disulfate C15H10O12S3 477.93343 - knapsack NA NA +MJ070737 Cefcanel C19H18N4O5S3 478.043931 NA MeJP NA NA +C10226 Fucofuroeckol B C24H14O11 478.0536 NA KEGG NA NA +MJ070738 Fucofuroeckol A C24H14O11 478.053611 NA MeJP NA NA +MJ070739 Fucofuroeckol B C24H14O11 478.053611 NA MeJP NA NA +MJ070740 Fucofuroeckol C C24H14O11 478.053611 NA MeJP NA NA +MJ070741 3-Indolylmethyl glucosinolate; N-Methoxy C17H22N2O10S2 478.071586 NA MeJP NA NA +MJ070742 4-Hydroxyindol-3-ylmethyl glucosinolate; Me ether C17H22N2O10S2 478.071586 NA MeJP NA NA +MetaCyc03675 4-methoxy-3-indolylmethyl-glucosinolate [4-methoxyindol-3-ylmethylglucosinolate;4-methyoxyglucobrassicin;] C17H22N2O10S2 478.071586 NA metacyc NA NA +MetaCyc03676 1-methoxy-3-indolylmethyl-glucosinolate [neoglucobrassicin;] C17H22N2O10S2 478.071586 NA metacyc NA NA +C08424 Neoglucobrassicin C17H22N2O10S2 478.0716 NA KEGG NA NA +MJ070743 3,15-Dibromo-9(11)-isopimarene-7,16-diol, 12?-Hydroxy C20H32Br2O3 478.07182 NA MeJP NA NA +MJ070744 2',4',5,5',7-Pentahydroxyflavone; 4'-O-?-D-Glucuronopyranoside C21H18O13 478.07474 NA MeJP NA NA +MJ070745 3',4',5,6,7-Pentahydroxyflavone; 6-O-?-D-Glucuronopyranoside C21H18O13 478.07474 NA MeJP NA NA +MJ070746 3',4',5,6,7-Pentahydroxyflavone; 7-O-?-D-Glucuronopyranoside C21H18O13 478.07474 NA MeJP NA NA +MJ070747 3',4',5,7,8-Pentahydroxyflavone; 8-O-?-D-Glucuronopyranoside C21H18O13 478.07474 NA MeJP NA NA +MJ070748 3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Galacturonopyranoside C21H18O13 478.07474 NA MeJP NA NA +MJ070749 3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Glucuronopyranoside C21H18O13 478.07474 NA MeJP NA NA +MJ070750 3,3',4',5,7-Pentahydroxyflavone; 4'-O-?-D-Glucuronopyranoside C21H18O13 478.07474 NA MeJP NA NA +MJ070751 3,4',5,7,8-Pentahydroxyflavone; 4'-O-?-D-Glucuronopyranoside C21H18O13 478.07474 NA MeJP NA NA +MJ070752 3,4',5,7,8-Pentahydroxyflavone; 7-O-?-D-Glucuronopyranoside C21H18O13 478.07474 NA MeJP NA NA +MJ070753 3,4',5,7,8-Pentahydroxyflavone; 8-O-?-D-Glucuronopyranoside C21H18O13 478.07474 NA MeJP NA NA +MJ070754 3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 3,5-Bis-O-(3,4,5-trihydroxybenzoyl) C21H18O13 478.07474 NA MeJP NA NA +MJ070755 3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 4,5-Bis-O-(3,4,5-trihydroxybenzoyl) C21H18O13 478.07474 NA MeJP NA NA +MJ070756 3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 5-O-[3,4,5-Trihydroxybenzoyl-(??)-3,4,5-trihydroxybenzoyl] C21H18O13 478.07474 NA MeJP NA NA +FL3FALGS0007 Isoetin 4'-glucuronide;4-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,5-dihydroxyphenyl beta-D-glucopyranosiduronic acid C21H18O13 478.07474 163891-92-7 knapsack NA NA +FL3FECGS0006 6-Hydroxyluteolin 6-glucuronide C21H18O13 478.07474 60092-27-5 knapsack NA NA +FL3FECGS0013 6-Hydroxyluteolin 7-glucuronide C21H18O13 478.07474 56226-97-2 knapsack NA NA +FL3FFCGS0004 8-Hydroxyluteolin 8-glucuronide C21H18O13 478.07474 56324-52-8 knapsack NA NA +FL5FACGS0007 Quercetin 3-galacturonide C21H18O13 478.07474 74336-89-3 knapsack NA NA +FL5FACGS0008 Miquelianin C21H18O13 478.07474 22688-79-5 knapsack NA NA +FL5FACGS0016 Quercetin 7-glucuronide C21H18O13 478.07474 38934-20-2 knapsack NA NA +FL5FACGS0062 Quercetin 5-glucuronide;2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4-oxo-4H-1-benzopyran-5-yl beta-D-glucopyranosiduronic acid C21H18O13 478.07474 367522-85-8 knapsack NA NA +FL5FACGS0064 Quercetin 4'-glucuronide;2-Hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl beta-D-glucopyranosiduronic acid C21H18O13 478.07474 201463-36-7 knapsack NA NA +FL5FFAGS0008 Herbacetin 8-glucuronide C21H18O13 478.07474 66003-48-3 knapsack NA NA +MJ070757 Pradimicin M; 11-Me ether C25H18O10 478.089996 NA MeJP NA NA +MJ070758 Vanyldisulfamide C20H22N4O6S2 478.098075 NA MeJP NA NA +FL3FAHGS0001 Tricetin 3'-methyl ether 7-glucoside C22H22O12 478.11112 73413-70-4 knapsack NA NA +FL3FECGS0023 6-Methoxyluteolin 7-glucoside C22H22O12 478.11112 569-90-4 knapsack NA NA +FL3FECGS0024 6-Hydroxyluteolin 7-methyl ether 6-glucoside C22H22O12 478.11112 22860-72-6 knapsack NA NA +FL3FECGS0025 6-Hydroxyluteolin 7-methyl ether 6-galactoside C22H22O12 478.11112 76449-91-7 knapsack NA NA +FL3FECGS0048 Nepetin 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one C22H22O12 478.11112 112208-83-0 knapsack NA NA +FL3FFCGS0011 8-Hydroxyluteolin 3'-methyl ether 7-glucoside C22H22O12 478.11112 71149-63-8 knapsack NA NA +FL3FFCGS0015 8-Hydroxyluteolin 4'-methyl ether 8-glucoside C22H22O12 478.11112 80756-87-2 knapsack NA NA +FL4DABGS0002 Dihydrokaempferide 3-glucuronide C22H22O12 478.11112 71140-96-0 knapsack NA NA +FL5FADGA0001 Isorhamnetin 3-galactoside C22H22O12 478.11112 6743-92-6 knapsack NA NA +FL5FADGL0001 Isorhamnetin 3-glucoside C22H22O12 478.11112 5041-82-7 knapsack NA NA +FL5FADGS0006 Isorhamnetin 5-galactoside;5-(beta-D-Galactopyranosyloxy)-3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C22H22O12 478.11112 155312-51-9 knapsack NA NA +FL5FADGS0007 Isorhamnetin 5-glucoside C22H22O12 478.11112 34199-20-7 knapsack NA NA +FL5FADGS0008 Isorhamnetin 7-glucoside C22H22O12 478.11112 6743-96-0 knapsack NA NA +FL5FADGS0010 Isorhamnetin 4'-glucoside C22H22O12 478.11112 58902-89-9 knapsack NA NA +FL5FAEGA0001 Tamarixetin 3-galactoside;Quercetin 4'-methyl ether 3-galactoside;3-(beta-D-Galactopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one C22H22O12 478.11112 52305-25-6 knapsack NA NA +FL5FAEGL0001 Tamarixin C22H22O12 478.11112 27542-29-8 knapsack NA NA +FL5FAEGS0002 Tamarixetin 7-glucoside C22H22O12 478.11112 16290-09-8 knapsack NA NA +FL5FAHGS0001 Laricitrin 3-rhamnoside C22H22O12 478.11112 71367-37-8 knapsack NA NA +FL5FAIGS0001 Syringetin 3-xyloside C22H22O12 478.11112 128487-45-6 knapsack NA NA +FL5FAJGS0001 Mearnsitrin C22H22O12 478.11112 30484-88-9 knapsack NA NA +FL5FBCGA0001 Azaleatin 3-galactoside C22H22O12 478.11112 27193-60-8 knapsack NA NA +FL5FBCGL0001 Azaleatin 3-glucoside C22H22O12 478.11112 23598-17-6 knapsack NA NA +FL5FBGGS0001 Myricetin 5-methyl ether 3-rhamnoside C22H22O12 478.11112 29028-03-3 knapsack NA NA +FL5FCCCS0001 Keyakinin B C22H22O12 478.11112 - knapsack NA NA +FL5FCCGA0001 Rhamnetin 3-galactoside C22H22O12 478.11112 38975-81-4 knapsack NA NA +FL5FCCGL0001 Rhamnetin 3-glucoside C22H22O12 478.11112 27875-34-9 knapsack NA NA +FL5FCCGS0004 Rhamnetin 5-glucoside C22H22O12 478.11112 93078-95-6 knapsack NA NA +FL5FCGCS0001 8-C-Rhamnosyleuropetin;8-(6-Deoxy-alpha-L-mannopyranosyl)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C22H22O12 478.11112 78527-45-4 knapsack NA NA +FL5FCGGS0001 Europetin 3-rhamnoside C22H22O12 478.11112 130364-27-1 knapsack NA NA +FL5FDCGS0001 Quercetin 3-methyl ether 5-glucoside;2-(3,4-Dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3-methoxy-4H-1-benzopyran-4-one C22H22O12 478.11112 53987-23-8 knapsack NA NA +FL5FDCGS0002 Quercetin 3-methyl ether 7-galactoside C22H22O12 478.11112 98751-51-0 knapsack NA NA +FL5FDCGS0003 Quercetin 3-methyl ether 7-glucoside C22H22O12 478.11112 26931-68-0 knapsack NA NA +FL5FDCGS0007 Quercetin 3-methyl ether 3'-glucoside C22H22O12 478.11112 115473-28-4 knapsack NA NA +FL5FDCGS0008 Quercetin 3-methyl ether 4'-glucoside C22H22O12 478.11112 22255-19-2 knapsack NA NA +FL5FDGGS0001 Annulatin 7-rhamnoside C22H22O12 478.11112 93373-17-2 knapsack NA NA +FL5FDJGS0001 Myricetin 3,4'-dimethyl ether 3'-xyloside C22H22O12 478.11112 102506-58-1 knapsack NA NA +FL5FEAGA0001 6-Methoxykaempferol 3-galactoside C22H22O12 478.11112 72945-43-8 knapsack NA NA +FL5FEAGL0005 6-Methoxykaempferol 3-glucoside C22H22O12 478.11112 63422-27-5 knapsack NA NA +FL5FEAGS0003 6-Hydroxykaempferol 3-methyl ether 6-glucoside C22H22O12 478.11112 76060-28-1 knapsack NA NA +FL5FEAGS0004 6-Hydroxykaempferol 3-methyl ether 7-glucoside C22H22O12 478.11112 76060-26-9 knapsack NA NA +FL5FEAGS0008 6-Methoxykaempferol 7-glucoside C22H22O12 478.11112 70056-56-3 knapsack NA NA +FL5FEAGS0023 6-Hydroxykaempferol 4'-methyl ether 7-glucoside;3,5,6-Trihydroxy-4'-methoxyflavone-7-beta-D-glucoside;7-(beta-D-Glucopyranosyloxy)-3,5,6-trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C22H22O12 478.11112 349607-67-6 knapsack NA NA +FL5FECGS0006 Patuletin 3-rhamnoside C22H22O12 478.11112 60048-92-2 knapsack NA NA +FL5FECGS0020 Eupatolitin 3-apioside C22H22O12 478.11112 106923-74-4 knapsack NA NA +FL5FFAGA0001 Sexangularetin 3-galactoside C22H22O12 478.11112 94035-83-3 knapsack NA NA +FL5FFAGL0004 Sexangularetin 3-glucoside C22H22O12 478.11112 51857-20-6 knapsack NA NA +FL5FFAGS0017 Herbacetin 7-methyl ether 3-glucoside C22H22O12 478.11112 30484-94-7 knapsack NA NA +FL5FFCGS0010 Ranupenin 3-rhamnoside C22H22O12 478.11112 56768-33-3 knapsack NA NA +FLNAALGS0001 5,2',4',5'-Tetrahydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside C22H22O12 478.11112 120931-58-0 knapsack NA NA +MJ070759 1,2,3,4,5-Pentahydroxy-7-methylanthraquinone; 2-Me ether, 5-O-?-D-glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070760 1,2,4,5,6-Pentahydroxy-3-methylanthraquinone; 1-Me ether, 2-O-?-D-glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070761 1,3,4,5,7-Pentahydroxy-2-methylanthraquinone; 7-Me ether, 3-O-?-D-glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070762 1,3,5,6,8-Pentahydroxy-2-methylanthraquinone; 6-Me ether, 8-O-?-D-glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070763 2-Cinnamoyl-1-galloylglucose; ?-D-Pyranose-form, 4''-Hydroxy C22H22O12 478.111126 NA MeJP NA NA +MJ070764 3',4',5,5',7-Pentahydroxy-3-methoxyflavone; 7-O-?-L-Rhamnopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070765 3',4',5,5',7-Pentahydroxyflavone; 3'-Me ether, 7-O-?-D-glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070766 3',4',5,6,7,8-Hexahydroxyflavone; 3'-Me ether, 8-O-?-L-rhamnopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070767 3',4',5,6-Tetrahydroxy-7-methoxyflavone; 6-O-?-D-Galactopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070768 3',4',5,6-Tetrahydroxy-7-methoxyflavone; 6-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070769 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 3'-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070770 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 4'-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070771 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 5-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070772 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-?-D-Galactopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070773 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070774 3',4',5,7-Tetrahydroxy-6-methoxyflavone; 3'-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070775 3',4',5,7-Tetrahydroxy-6-methoxyflavone; 4'-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070776 3',4',5,7-Tetrahydroxy-6-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070777 3',5,5',7-Tetrahydroxy-3,4'-dimethoxyflavone; 3'-O-?-D-Xyloside C22H22O12 478.111126 NA MeJP NA NA +MJ070778 3',5,7,8-Tetrahydroxy-4'-methoxyflavone; 8-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070779 3,3',4',5',7-Pentahydroxy-5-methoxyflavone; 3-O-?-L-Rhamnopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070780 3,3',4',5,5',7-Hexahydroxy-8-rhamnopyranosylflavone; 7-Me ether C22H22O12 478.111126 NA MeJP NA NA +MJ070781 3,3',4',5,5',7-Hexahydroxyflavone; 7-Me ether, 3-O-?-L-rhamnopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070782 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-L-Rhamnopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070783 3,3',4',5,7-Pentahydroxy-8-methoxyflavone; 7-O-?-L-Rhamnopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070784 3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 3-O-?-L-Rhamnopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070785 3,3',4',5-Tetrahydroxy-6,7-dimethoxyflavone; 3-O-Apioside C22H22O12 478.111126 NA MeJP NA NA +MJ070786 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3'-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070787 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-?-D-Galactopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070788 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070789 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 5-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070790 3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-?-D-Galactopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070791 3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070792 3,3',5,5',7-Pentahydroxy-4'-methoxyflavone; 3-O-?-L-Rhamnopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070793 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-?-D-Galactopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070794 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070795 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070796 3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-?-L-Rhamnopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070797 3,4',5,6,7-Pentahydroxyflavone; 3-Me ether, 6-O-?-D-glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070798 3,4',5,6,7-Pentahydroxyflavone; 3-Me ether, 7-O-?-D-glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070799 3,4',5,6,7-Pentahydroxyflavone; 4'-Me ether, 7-O-?-D-glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070800 3,4',5,7,8-Pentahydroxyflavone; 3-Me ether, 8-O-?-D-glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070801 3,4',5,7,8-Pentahydroxyflavone; 7-Me ether, 3-O-?-D-glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070802 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-?-D-Xylopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070803 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-Arabinoside C22H22O12 478.111126 NA MeJP NA NA +MJ070804 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Galactofuranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070805 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Galactopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070806 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070807 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 4'-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070808 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 5-O-?-D-Galactopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070809 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 5-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070810 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 7-O-?-D-Galactopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070811 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070812 3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-?-D-Galactopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070813 3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070814 3,4',5,7-Tetrahydroxy-6-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070815 3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-?-D-Galactopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070816 3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070817 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone C22H22O12 478.111126 NA MeJP NA NA +MJ070818 4',5,7,8-Tetrahydroxy-3'-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070819 5,7-Dihydroxy-4-(2,4,5-trihydroxyphenyl)-2H-1-benzopyran-2-one; 7-Me ether, 5-O-?-D-glucopyranoside C22H22O12 478.111126 NA MeJP NA NA +MJ070820 6-Galloylglucose; ?-D-Pyranose-form, 1-(4-Hydroxycinnamoyl)(E-) C22H22O12 478.111126 NA MeJP NA NA +MJ070821 6-Glucopyranosyl-3,3',4',5,7-pentahydroxyflavone; 7-Me ether C22H22O12 478.111126 NA MeJP NA NA +MJ070822 Bergenin; 11-O-(4-Hydroxy-3-methoxybenzoyl) C22H22O12 478.111126 NA MeJP NA NA +MJ070823 Taliflavonoloside aglycone; O-Rhamnoside C22H22O12 478.111126 NA MeJP NA NA +MJ070824 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 5-Me ether, 3-O-?-D-glucopyranoside C22H23O12(+) 478.111126 NA MeJP NA NA +MJ070825 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-?-D-Galactopyranoside C22H23O12(+) 478.111126 NA MeJP NA NA +MJ070826 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-?-D-Glucopyranoside C22H23O12(+) 478.111126 NA MeJP NA NA +MJ070827 Tuberidin; 3-O-Glucoside C22H23O12(+) 478.111126 NA MeJP NA NA +MetaCyc03677 isoscoparine [isocoparin;C-glucosyl-6-chrysoeriol;] C22H22O12 478.111126 20013-23-4 metacyc NA NA +MJ070828 Chlortetracycline C22H23ClN2O8 478.114293 NA MeJP NA NA +MJ070829 Aureomycin C22H23ClN2O8 478.114293 NA MeJP NA NA +MJ070830 Isoaureomycin C22H23ClN2O8 478.114293 NA MeJP NA NA +C06571 Chlortetracycline C22H23ClN2O8 478.1143 NA KEGG NA NA +C08029 Methacycline hydrochloride C22H22N2O8 478.1143 NA KEGG NA NA +C08030 Transferred to D00850 C22H22N2O8 478.1143 NA KEGG NA NA +PJ002308 DDDD C16H22N4O13 478.1184 NA PeJP NA NA +MJ070831 Xanthocercin B C26H22O9 478.126382 NA MeJP NA NA +MJ070832 Lappaphen a C27H26O4S2 478.12725 NA MeJP NA NA +MJ070833 Napyradiomycin B1; 4a-Dechloro, 4,4a-didehydro C25H28Cl2O5 478.131379 NA MeJP NA NA +MJ070834 Napyradiomycin C1 C25H28Cl2O5 478.131379 NA MeJP NA NA +MJ070835 Decursidinol, 3'-O-Angeloyl, 4'-O-(3-chloro-2-hydroxy-2-methylbutanoyl) C24H27ClO8 478.139445 NA MeJP NA NA +MJ070836 Pazinaclone C25H23ClN4O4 478.140782 NA MeJP NA NA +MJ070837 2,2',3,3',7,7'-Hexahydroxy-1,1'-biphenanthrene; 3,3'-Di-Me ether C30H22O6 478.141638 NA MeJP NA NA +MJ070838 Ararobinol C30H22O6 478.141638 NA MeJP NA NA +MJ070839 Blestriarene C C30H22O6 478.141638 NA MeJP NA NA +MJ070840 Guayin C30H22O6 478.141638 NA MeJP NA NA +FL1C3CGS0019 Okanin 3,4-dimethyl ehter 4'-glucoside C23H26O11 478.14751 94285-17-3 knapsack NA NA +FL1C3CGS0026 2',4',4-Trihydroxy-3',3-dimethoxychalcone 4'-O-glucoside C23H26O11 478.14751 207906-26-1 knapsack NA NA +FL1DAAGS0004 Phloretin 2'-O-(6''-O-acetylglucoside);4,2',4',6'-Tetrahydroxydihydroxychalcone 2'-O-(6''-O-acetylglucoside) C23H26O11 478.14751 307991-34-0 knapsack NA NA +FL1DAAGS0005 Phloretin 2'-O-(2''-O-Acetylglucoside);4,2',4',6'-Tetrahydroxydihydroxychalcone 2'-O-(2''-O-Acetylglucoside) C23H26O11 478.14751 647853-82-5 knapsack NA NA +FL2FAFGS0001 Eriodictyol 3',4'-dimethyl ether 5-O-glucoside C23H26O11 478.14751 70863-87-5 knapsack NA NA +FL2FBCGM0001 7,3',4'-Trihydroxy-5-methoxy-6-C-methylflavanone 7-O-glucoside C23H26O11 478.14751 85687-89-4 knapsack NA NA +FL2FBEGS0001 Eriodictyol 5,4'-dimethyl ether 7-O-glucoside C23H26O11 478.14751 81757-67-7 knapsack NA NA +FL2FCEGS0001 Persiconin C23H26O11 478.14751 28978-03-2 knapsack NA NA +FL2FCEGS0002 5,3'-Dihydroxy-7,4'-dimethoxyflavanone 3'-glucoside;Persicogenin 3'-glucoside C23H26O11 478.14751 164863-05-2 knapsack NA NA +FL4DCBGS0002 Aromadendrin 7,4'-dimethyl ether 5-glucoside C23H26O11 478.14751 41515-77-9 knapsack NA NA +MJ070841 1,2,4-Benzenetriol; 2-Me ether, 4-O-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)-?-D-glucopyranoside] C23H26O11 478.147511 NA MeJP NA NA +MJ070842 1,5-Bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol, 2-O-?-D-Glucopyranoside C23H26O11 478.147511 NA MeJP NA NA +MJ070843 2',3,3',4,4'-Pentahydroxychalcone, 3,3'-Di-Me ether, 4'-O-?-D-glucopyranoside C23H26O11 478.147511 NA MeJP NA NA +MJ070844 2',3,3',4,4'-Pentahydroxychalcone, 3,4-Di-Me ether, 4'-O-?-D-glucopyranoside C23H26O11 478.147511 NA MeJP NA NA +MJ070845 2',5,5',7-Tetrahydroxy-6,8-dimethylflavanone, 7-O-?-D-Glucopyranoside C23H26O11 478.147511 NA MeJP NA NA +MJ070846 2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl), 13,14-di-Ac C23H26O11 478.147511 NA MeJP NA NA +MJ070847 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3,4-Dihydroxy-E-cinnamoyl-(?2)-?-D-glucopyranoside] C23H26O11 478.147511 NA MeJP NA NA +MJ070848 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3,4-Dihydroxy-E-cinnamoyl-(?3)-?-D-allopyranoside] C23H26O11 478.147511 NA MeJP NA NA +MJ070849 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3,4-Dihydroxy-E-cinnamoyl-(?3)-?-D-glucopyranoside] C23H26O11 478.147511 NA MeJP NA NA +MJ070850 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3,4-Dihydroxy-E-cinnamoyl-(?4)-?-D-glucopyranoside] C23H26O11 478.147511 NA MeJP NA NA +MJ070851 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C23H26O11 478.147511 NA MeJP NA NA +MJ070852 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3,4-Dihydroxycinnamoyl-(?4)-?-D-allopyranoside] C23H26O11 478.147511 NA MeJP NA NA +MJ070853 2-(3,4-Dihydroxyphenyl)ethanol; 4'-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C23H26O11 478.147511 NA MeJP NA NA +MJ070854 2-Methoxy-4-(2-propenyl)phenol; O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C23H26O11 478.147511 NA MeJP NA NA +MJ070855 3',4',5,7-Tetrahydroxy-6,8-dimethylflavanone, O-Glucoside C23H26O11 478.147511 NA MeJP NA NA +MJ070856 3',4',5,7-Tetrahydroxy-6-methylflavanone, 5-Me ether, 7-O-?-D-glucopyranoside C23H26O11 478.147511 NA MeJP NA NA +MJ070857 3',4',5,7-Tetrahydroxyflavanone, 3',4'-Di-Me ether, 5-O-?-D-glucopyranoside C23H26O11 478.147511 NA MeJP NA NA +MJ070858 3',4',5,7-Tetrahydroxyflavanone, 4',5-Di-Me ether, 7-O-?-D-glucopyranoside C23H26O11 478.147511 NA MeJP NA NA +MJ070859 3',4',5,7-Tetrahydroxyflavanone, 4',7-Di-Me ether, 3'-O-?-D-glucopyranoside C23H26O11 478.147511 NA MeJP NA NA +MJ070860 3',4',5,7-Tetrahydroxyflavanone, 4',7-Di-Me ether, 5-O-?-D-glucopyranoside C23H26O11 478.147511 NA MeJP NA NA +MJ070861 3,4',5,7-Tetrahydroxyflavanone, 4',7-Di-Me ether, 5-O-?-D-glucopyranoside C23H26O11 478.147511 NA MeJP NA NA +MJ070862 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2'-O-(6-O-Acetyl-?-D-glucopyranoside) C23H26O11 478.147511 NA MeJP NA NA +MJ070863 4,5-Epoxy-8,9,15-trihydroxy-1(10),2,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Epoxy-2-methylbutanoyl), 15-Ac, Me ester C23H26O11 478.147511 NA MeJP NA NA +MJ070864 4,5-Epoxy-8,9-dihydroxy-1(10),2,11(13)-germacratrien-12,6-olid-14-oic acid, 2?,3?-Epoxide, 8-(2R,3R-epoxy-2-methylbutanoyl), 9-Ac, Me ester C23H26O11 478.147511 NA MeJP NA NA +MJ070865 4-(4-Hydroxyphenyl)-2-butanone; O-[3,4,5-Trihydroxybenzoyl-(?2)-?-D-glucopyranoside] C23H26O11 478.147511 NA MeJP NA NA +MJ070866 4-(4-Hydroxyphenyl)-2-butanone; O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C23H26O11 478.147511 NA MeJP NA NA +MJ070867 4-Hydroxy-4-(2-hydroxyethyl)-2,5-cyclohexadien-1-one; 2'-O-[6-O-(3,4-Dihydroxycinnamoyl)-?-D-glucopyranoside](E-) C23H26O11 478.147511 NA MeJP NA NA +MJ070868 Aloesaponol I, 6-O-?-D-Glucoside C23H26O11 478.147511 NA MeJP NA NA +MJ070869 Aviprin, 2'-Ester with quinic acid C23H26O11 478.147511 NA MeJP NA NA +MJ070870 Curcapicycloside C23H26O11 478.147511 NA MeJP NA NA +MJ070871 Dehydrobruceolide; 15-Ac C23H26O11 478.147511 NA MeJP NA NA +MJ070872 Macrophylloside C C23H26O11 478.147511 NA MeJP NA NA +MJ070873 Pilosidin C23H26O11 478.147511 NA MeJP NA NA +MJ070874 Sweroside; 2'-O-(3-Hydroxybenzoyl) C23H26O11 478.147511 NA MeJP NA NA +MJ070875 Sweroside; 3'-O-(3-Hydroxybenzoyl) C23H26O11 478.147511 NA MeJP NA NA +MJ070876 Sweroside; 4'-O-(3-Hydroxybenzoyl) C23H26O11 478.147511 NA MeJP NA NA +MJ070877 Sweroside; 6'-O-(3-Hydroxybenzoyl) C23H26O11 478.147511 NA MeJP NA NA +MetaCyc03678 homoferreirin-7-O-glucoside [] C23H26O11 478.147512 NA metacyc NA NA +MJ070878 Buzepide; Methiodide C23H31IN2O 478.148107 NA MeJP NA NA +PJ002309 CNNE C16H26N6O9S 478.1482 NA PeJP NA NA +MJ070879 Streptonigrone C24H22N4O7 478.148849 NA MeJP NA NA +PJ002310 SDEE C17H26N4O12 478.1547 NA PeJP NA NA +PJ002311 PCEM C18H30N4O7S2 478.1556 NA PeJP NA NA +MJ070880 Rocaglatic acid C27H26O8 478.162767 NA MeJP NA NA +PJ002312 GCNW C20H26N6O6S 478.1635 NA PeJP NA NA +PJ002313 GSSND C16H26N6O11 478.166 NA PeJP NA NA +MJ070881 1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C20H30O13 478.168641 NA MeJP NA NA +MJ070882 1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C20H30O13 478.168641 NA MeJP NA NA +MJ070883 1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C20H30O13 478.168641 NA MeJP NA NA +MJ070884 1,2,3,5-Benzenetetrol; 1,3,5-Tri-Me ether, 2-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C20H30O13 478.168641 NA MeJP NA NA +MJ070885 1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 2-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C20H30O13 478.168641 NA MeJP NA NA +MJ070886 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C20H30O13 478.168641 NA MeJP NA NA +MJ070887 2-Methyl-6-oxo-2,4-heptadienoic acid, [?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C20H30O13 478.168641 NA MeJP NA NA +MJ070888 Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-?-D-xylopyranoside C20H30O13 478.168641 NA MeJP NA NA +MJ070889 Decaloside; 7?,8?-Epoxide, 11-O-(4-deoxyriboside) C20H30O13 478.168641 NA MeJP NA NA +MJ070890 Lamiide; 7-Propanoyl C20H30O13 478.168641 NA MeJP NA NA +MJ070891 Unedoside; 6-O-?-L-Rhamnopyranoside C20H30O13 478.168641 NA MeJP NA NA +PJ002314 AEEM C18H30N4O9S 478.1734 NA PeJP NA NA +PARAC017 Paracetamol glucuronide dimere NA 478.1748 RT4.1 PFEM_hmdb_metabocards_urine NA urine +PARAC017 Paracetamol glucuronide dimere NA 478.1748 RT4.1 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC017 Paracetamol glucuronide dimere NA 478.1748 RT4.1 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC017 Paracetamol glucuronide dimere NA 478.1748 RT4.1 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC017 Paracetamol glucuronide dimere NA 478.1748 RT4.1 HMDB NA NA +PARAC017 Paracetamol glucuronide dimere NA 478.1748 RT4.1 Inhouse_PFEM NA NA +PARAC017 Paracetamol glucuronide dimere NA 478.1748 RT4.1 PFEM_hmdb_metabocards_blood NA blood +PARAC017 Paracetamol glucuronide dimere NA 478.1748 RT4.1 PFEM_hmdb_metabocards_official NA NA +MJ070892 Anziaic acid; 3-Chloro, 4-Me ether C25H31ClO7 478.175831 NA MeJP NA NA +MJ070893 Anziaic acid; 5-Chloro, 2'-Me ether C25H31ClO7 478.175831 NA MeJP NA NA +MJ070894 Tabebuin C31H26O5 478.178023 NA MeJP NA NA +FL1DDAGS0001 Bidenoside B;4-Hydroxy-2',4',6'-trimethoxydihydrochalcone 4-O-glucoside C24H30O10 478.18389 698392-66-4 knapsack NA NA +FL6FCFGS0001 Dichotosinin C24H30O10 478.18389 89294-56-4 knapsack NA NA +MJ070895 1,10-Epoxy-5,6,9-trihydroxy-2-oxo-4(15),11(13)-germacradien-12,8-olide, 5-(2R-Methylbutanoyl), 6,9-di-Ac C24H30O10 478.183897 NA MeJP NA NA +MJ070896 1,7-Bis(3,4-dihydroxyphenyl)-5-hydroxy-3-heptanone, 5-O-?-D-Xylopyranoside C24H30O10 478.183897 NA MeJP NA NA +MJ070897 15,16-Epoxy-4,6,18,19-tetrahydroxy-7-oxo-13(16),14-clerodadien-20,12-olide, 18,19-Di-Ac C24H30O10 478.183897 NA MeJP NA NA +MJ070898 2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 2,3,4,6-tetra-Me ether, 7-O-?-D-glucopyranoside C24H30O10 478.183897 NA MeJP NA NA +MJ070899 2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 3,4,6,7-tetra-Me ether, 2-O-?-D-glucopyranoside C24H30O10 478.183897 NA MeJP NA NA +MJ070900 2,3-Epoxy-8,9,11,16-tetrahydroxy-12-oxo-5,13-briaradien-18,7-olide; 9,11-Di-Ac C24H30O10 478.183897 NA MeJP NA NA +MJ070901 2,4,8,13,14-Pentahydroxy-1(10),5,7(11)-germacratrien-12,6-olide, 8-Angeloyl, 2,13-di-Ac C24H30O10 478.183897 NA MeJP NA NA +MJ070902 2,8,9,15-Tetrahydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Methylpropanoyl), 9-(2-methylpropenoyl), Me ester C24H30O10 478.183897 NA MeJP NA NA +MJ070903 3',4',5,7-Tetrahydroxyflavan, 3',4',7-Tri-Me ether, 5-O-?-D-glucopyranoside C24H30O10 478.183897 NA MeJP NA NA +MJ070904 3,11,12,14-Tetrahydroxy-8,11,13-abietatriene-6,7-dione; 3?-enol-form, 17-Acetoxy, 16-hydroxy, 3-Ac C24H30O10 478.183897 NA MeJP NA NA +MJ070905 3,11,12,14-Tetrahydroxy-8,11,13-abietatriene-6,7-dione, 17-Acetoxy, 16-hydroxy, 3-Ac C24H30O10 478.183897 NA MeJP NA NA +MJ070906 4,18:15,16-Diepoxy-6,8,10,19-tetrahydroxy-13(16),14-clerodadien-20,12-olide, 6,19-Di-Ac C24H30O10 478.183897 NA MeJP NA NA +MJ070907 4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(3-Methyl-2-butenoyl), 10,13-di-Ac C24H30O10 478.183897 NA MeJP NA NA +MJ070908 4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-Angeloyl, 10,13-di-Ac C24H30O10 478.183897 NA MeJP NA NA +MJ070909 Ajugol; 8-O-E-Cinnamoyl C24H30O10 478.183897 NA MeJP NA NA +MJ070910 Mallotojaponin; 2'',3''-Dihydro, 2'',3''-dihydroxy C24H30O10 478.183897 NA MeJP NA NA +PJ002315 SNQM C17H30N6O8S 478.1846 NA PeJP NA NA +MJ070911 4-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-2-(1H-1,2,4-triazol-1-ylmethyl)-3-quinolinecarboxylic acid; Et ester C25H26N4O6 478.185234 NA MeJP NA NA +PJ002316 PPCY C22H30N4O6S 478.1886 NA PeJP NA NA +PJ002317 TTEE C18H30N4O11 478.1911 NA PeJP NA NA +MJ070912 Almurtide C18H30N4O11 478.191107 NA MeJP NA NA +MJ070913 Methionylglycylmethionylisoleucineyl C19H34N4O6S2 478.191976 NA MeJP NA NA +PJ002318 PTMM C19H34N4O6S2 478.192 NA PeJP NA NA +MJ070914 Clobetasol; 11-Ketone; 17-butanoyl C26H32ClFO5 478.19223 NA MeJP NA NA +PJ002319 GEHH C19H26N8O7 478.1925 NA PeJP NA NA +7911 synthetic peptide WHH 478.195 antioxidative Inhouse_peptide NA peptide +7913 synthetic peptide HWH 478.195 antioxidative Inhouse_peptide NA peptide +7916 synthetic peptide HHW 478.195 antioxidative Inhouse_peptide NA peptide +MJ070915 Antimycin A; Antibiotic I-2743C C23H30N2O9 478.19513 NA MeJP NA NA +MJ070916 Antimycin A; Antimycin A6 C23H30N2O9 478.19513 NA MeJP NA NA +MJ070917 Dehexylantimycin; Dehexylantimycin A0 C23H30N2O9 478.19513 NA MeJP NA NA +PJ002320 SCNR C16H30N8O7S 478.1958 NA PeJP NA NA +MJ070918 Garcinisidone E C28H30O7 478.199153 NA MeJP NA NA +MJ070919 Gibbestatin B; 2-Hydroxyphenyl ester C28H30O7 478.199153 NA MeJP NA NA +MJ070920 Fluprednisolone; 21-(3-Carboxypropanoyl) C25H31FO8 478.200296 NA MeJP NA NA +C08184 Triamcinolone diacetate C25H31FO8 478.2003 NA KEGG NA NA +C11177 Rhodamine 6G C28H31N2O3 478.2023 NA KEGG NA NA +PJ002321 GSSTQ C17H30N6O10 478.2024 NA PeJP NA NA +MJ070921 3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether, 3-(3-methylthio-2Z-propenoyl), 6-angeloyl C25H34O7S 478.202524 NA MeJP NA NA +MJ070922 Fasciculatin; O-Sulfate C25H34O7S 478.202524 NA MeJP NA NA +MJ070923 Palinurin; O-Sulfate C25H34O7S 478.202524 NA MeJP NA NA +MJ070924 Variabilin, 18-Sulfate C25H34O7S 478.202524 NA MeJP NA NA +C17429 Kanokoside B C21H34O12 478.205 NA KEGG NA NA +MJ070925 Deacylsuspensolide; 1-O-(2-Methylbutanoyl) C21H34O12 478.205026 NA MeJP NA NA +MJ070926 Deacylsuspensolide; 1-O-(3-Methylbutanoyl) C21H34O12 478.205026 NA MeJP NA NA +PJ002322 APEY C22H30N4O8 478.2064 NA PeJP NA NA +PJ002323 HHW C23H26N8O4 478.2077 NA PeJP NA NA +PJ002324 SLEM C19H34N4O8S 478.2098 NA PeJP NA NA +PJ002325 GQQF C21H30N6O7 478.2176 NA PeJP NA NA +HMDB06765 2-Methoxy-estradiol-17b 3-glucuronide C25H34O9 478.220276 NA HMDB2010 NA NA +HMDB10315 4-Hydroxyandrostenedione glucuronide C25H34O9 478.220276 NA HMDB2010 NA NA +HMDB06765 2-Methoxy-estradiol-17beta 3-glucuronide C25H34O9 478.22028 http://www.hmdb.ca/metabolites/HMDB06765 HMDB NA NA +HMDB06765 2-Methoxy-estradiol-17beta 3-glucuronide C25H34O9 478.22028 HMDB06765 PFEM_hmdb_metabocards_official NA NA +MJ070927 1,5,6,7-Tetrahydroxy-17-vouacapanoic acid, 1,6-Di-Ac, Me ester C25H34O9 478.220282 NA MeJP NA NA +MJ070928 15,16-Epoxy-4-hydroxy-18-nor-2,13(16),14-clerodatrien-17,12-olide, 4-O-?-D-Glucopyranoside C25H34O9 478.220282 NA MeJP NA NA +MJ070929 18,19-Epoxy-2,6,18,19-tetrahydroxy-15-nor-3,12-clerodadien-14-al, 2,18,19-Tri-Ac C25H34O9 478.220282 NA MeJP NA NA +MJ070930 2,5-Epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide, 6,9-Diangeloyl C25H34O9 478.220282 NA MeJP NA NA +MJ070931 2,5-Epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide, 9-Angeloyl, 6-(3-methyl-2-butenoyl) C25H34O9 478.220282 NA MeJP NA NA +MJ070932 2,8,9,11,12-Pentahydroxy-5,13-briaradien-18,7-olide; 12-Ketone, 2-propanoyl, 9-Ac C25H34O9 478.220282 NA MeJP NA NA +MJ070933 2,8,9,11,12-Pentahydroxy-5,13-briaradien-18,7-olide; 12-Ketone, 9-propanoyl, 2-Ac C25H34O9 478.220282 NA MeJP NA NA +MJ070934 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl), 3-(2-hydroxy-3-methylbutanoyl) C25H34O9 478.220282 NA MeJP NA NA +MJ070935 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2Z-butenoyl), 3-(2-hydroxy-3-methylbutanoyl) C25H34O9 478.220282 NA MeJP NA NA +MJ070936 6-Hydroxychaparrin; 6?-form, 6-O-(3-Methyl-2-butenoyl) C25H34O9 478.220282 NA MeJP NA NA +MJ070937 6-Hydroxychaparrin; 6?-form, 6-Tigloyl C25H34O9 478.220282 NA MeJP NA NA +MJ070938 8,17-Epoxy-2,9,14-trihydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-propanoyl, 14-Ac C25H34O9 478.220282 NA MeJP NA NA +MJ070939 8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Methylpropanoyl), 9-(2-methylbutanoyl), Me ester C25H34O9 478.220282 NA MeJP NA NA +MJ070940 Cedronolactone A C25H34O9 478.220282 NA MeJP NA NA +MJ070941 Glaucarubol; 13,18-Didehydro, 15-(3-methylbutanoyl) C25H34O9 478.220282 NA MeJP NA NA +MJ070942 Glaucarubol; 2-Ketone, 15-(2-methylbutanoyl) C25H34O9 478.220282 NA MeJP NA NA +MJ070943 Glaucarubol; 2-Ketone, 15-(3-methylbutanoyl) C25H34O9 478.220282 NA MeJP NA NA +MJ070944 Hannokinol, 5-O-?-D-Glucopyranoside C25H34O9 478.220282 NA MeJP NA NA +MJ070945 Nigakilactone N; 11,12-Di-Ac C25H34O9 478.220282 NA MeJP NA NA +MJ070946 Simalikalactone D C25H34O9 478.220282 NA MeJP NA NA +C08746 Ailanthinone C25H34O9 478.2203 NA KEGG NA NA +C08755 Castelanone C25H34O9 478.2203 NA KEGG NA NA +C08783 Simalikilactone D C25H34O9 478.2203 NA KEGG NA NA +C11131 2-Methoxy-estradiol-17beta 3-glucuronide C25H34O9 478.2203 NA KEGG NA NA +PJ002326 SNKM C18H34N6O7S 478.221 NA PeJP NA NA +3992 f(45-48) of bovine lactoferrin CIRA 478.222 antithrombotic Inhouse_peptide NA peptide +PJ002327 PCLF C23H34N4O5S 478.225 NA PeJP NA NA +PJ002328 VVMM C20H38N4O5S2 478.2284 NA PeJP NA NA +PJ002329 SVHH C20H30N8O6 478.2289 NA PeJP NA NA +MJ070947 Celesticetin B C21H38N2O8S 478.234886 NA MeJP NA NA +MJ070948 Desalicetin; 2'-Butanoyl C21H38N2O8S 478.234886 NA MeJP NA NA +MJ070949 1,3,6,7-Tetrahydroxy-2,5,8-triprenylxanthone; 7-Me ether C29H34O6 478.235538 NA MeJP NA NA +MJ070950 1,4,9-Trihydroxydihydro-?-agarofuran, 1,9-Dibenzoyl C29H34O6 478.235538 NA MeJP NA NA +MJ070951 1-(3,7-Dimethyl-2,6-octadienyl)-2,3,6,8-tetrahydroxy-7-(3-methyl-2-butenyl)xanthone, 2-Me ether C29H34O6 478.235538 NA MeJP NA NA +MJ070952 1-[5,7-Dihydroxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one, Tetra-Me ether C29H34O6 478.235538 NA MeJP NA NA +MJ070953 2,14-Dihydroxy-5,8(17),11-briaratrien-18,7-olide, 2-Benzoyl, 14-Ac C29H34O6 478.235538 NA MeJP NA NA +MJ070954 2,3,6,8-Tetrahydroxy-1-(3,7-dimethyl-2,6-octadienyl)-5-prenylxanthone, 2-Me ether C29H34O6 478.235538 NA MeJP NA NA +MJ070955 Bractatin; 1-Me ether C29H34O6 478.235538 NA MeJP NA NA +MJ070956 Ethyl 3,5,6-tri-O-benzylglucofuranoside C29H34O6 478.235538 NA MeJP NA NA +MJ070957 Isobractatin; 1-Me ether C29H34O6 478.235538 NA MeJP NA NA +MJ070958 Kansuiphorin C C29H34O6 478.235538 NA MeJP NA NA +MJ070959 Mogoltin; 2'-Ketone, 3'-O-angeloyl C29H34O6 478.235538 NA MeJP NA NA +MJ070960 Neobractatin; 1-Me ether C29H34O6 478.235538 NA MeJP NA NA +MJ070961 Janussine A; Oxo C30H30N4O2 478.236876 NA MeJP NA NA +PJ002330 GSSTK C18H34N6O9 478.2387 NA PeJP NA NA +PJ002331 SPLY C23H34N4O7 478.2428 NA PeJP NA NA +MJ070962 Mosapramine C28H35ClN4O 478.249939 NA MeJP NA NA +MJ070963 Diflucortolone; 21-(2,2-Dimethylpropanoyl) C27H36F2O5 478.25308 NA MeJP NA NA +MJ070964 Diflucortolone; 21-Pentanoyl C27H36F2O5 478.25308 NA MeJP NA NA +PJ002332 GQKF C22H34N6O6 478.254 NA PeJP NA NA +MJ070965 15,17-Epoxy-6,7,17-trihydroxy-16-spongianone, 6-Butanoyl, 7-Ac C26H38O8 478.256668 NA MeJP NA NA +MJ070966 15,17-Epoxy-6,7,17-trihydroxy-16-spongianone, 7-Butanoyl, 6-Ac C26H38O8 478.256668 NA MeJP NA NA +MJ070967 16-Kaurene-1,3,7,11,15-pentol, 1,7,11-tri-Ac C26H38O8 478.256668 NA MeJP NA NA +MJ070968 2,3-Epoxy-5,8,10,11-tetrahydroxy-7(14)-bisabolen-4-one; 11-Me ether, 5,8-di-O-angeloyl C26H38O8 478.256668 NA MeJP NA NA +MJ070969 2,5,9,10-Tetrahydroxy-4(20)-taxen-13-one, 2,9,10-Tri-Ac C26H38O8 478.256668 NA MeJP NA NA +MJ070970 3,4:6,13-Diepoxy-8-eunicellene-2,12,15-triol, Tri-Ac C26H38O8 478.256668 NA MeJP NA NA +MJ070971 3-Hydroxy-8,12,14-labdatrien-16,15-olide, O-?-D-Glucopyranoside C26H38O8 478.256668 NA MeJP NA NA +MJ070972 4(20),11-Taxadiene-2,5,9,10,13-pentol, 9,10,13-Tri-Ac C26H38O8 478.256668 NA MeJP NA NA +MJ070973 4,18:8,13-Diepoxy-6,19-dihydroxy-15,16-clerodanolide, 6-(Methylpropanoyl), 19-Ac C26H38O8 478.256668 NA MeJP NA NA +MJ070974 4,5-Epoxy-1,3,8,10-tetrahydroxy-11-germacren-9-one, 10-Me ether, 3,8-diangeloyl C26H38O8 478.256668 NA MeJP NA NA +MJ070975 6,13-Epoxy-3,8-eunicelladiene-2,11,12,15-tetrol, 2,11,15-Tri-Ac C26H38O8 478.256668 NA MeJP NA NA +MJ070976 6,13-Epoxy-7-eunicellene-3,4,9,12-tetrol, 9-Ketone, 3,4,12-tri-Ac C26H38O8 478.256668 NA MeJP NA NA +MJ070977 6,13-Epoxy-8(19)-eunicellene-3,4,9,12-tetrol, 9-Ketone, 3,4,12-tri-Ac C26H38O8 478.256668 NA MeJP NA NA +MJ070978 O-Demethylstriatin C; O15-Me C26H38O8 478.256668 NA MeJP NA NA +PJ002333 TCKK C19H38N6O6S 478.2574 NA PeJP NA NA +MJ070979 Mucronine A; Bis-N-de-Me C27H34N4O4 478.258005 NA MeJP NA NA +MJ070980 Azamulin C24H38N4O4S 478.261376 NA MeJP NA NA +MJ070981 Antibiotic I-SKA1 C20H38N4O9 478.263878 NA MeJP NA NA +3092 oxyntomodulin KRNKNNIA 478.26935 MH2+ Inhouse_peptide NA peptide +FL1DAANI0002 3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydrochalcone C30H38O5 478.27192 156788-64-6 knapsack NA NA +MJ070982 3-Geranyl-2',4,4',6'-tetrahydroxy-5-prenyldihydrochalcone C30H38O5 478.271924 NA MeJP NA NA +MJ070983 Isopristimerin III; 23-Oxo C30H38O5 478.271924 NA MeJP NA NA +MJ070984 Kazinol R C30H38O5 478.271924 NA MeJP NA NA +MJ070985 Netzahualcoyondiol; 22-Deoxy C30H38O5 478.271924 NA MeJP NA NA +2668 synthetic fr, of human beta-CN (124-127) ACE inhibitor LHLP 478.278 NA Inhouse_peptide NA peptide +3314 NA LLPH 478.278 celiac toxic Inhouse_peptide NA peptide +PJ002334 ALLY C24H38N4O6 478.2792 NA PeJP NA NA +MJ070986 6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-(12-Methyltridecanoyl) C29H38N2O4 478.283157 NA MeJP NA NA +MJ070987 6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-Tetradecanoyl C29H38N2O4 478.283157 NA MeJP NA NA +MJ070988 Dehydroemetine C29H38N2O4 478.283157 NA MeJP NA NA +MJ070989 Ikarugamycin C29H38N2O4 478.283157 NA MeJP NA NA +MJ070990 Psychotrine; Me ether C29H38N2O4 478.283157 NA MeJP NA NA +C07996 Dehydroemetine C29H38N2O4 478.2832 NA KEGG NA NA +C17411 o-Methylpsychotrine C29H38N2O4 478.2832 NA KEGG NA NA +MJ070991 4-Chloro-3-hydroxy-23-oxoergost-24(28)-en-21-oic acid C28H43ClO4 478.284987 NA MeJP NA NA +MJ070992 Joramine C23H38N6O5 478.290368 NA MeJP NA NA +PJ002335 GKKF C23H38N6O5 478.2904 NA PeJP NA NA +MJ070993 10-Aromadendranol, O-[3-Methyl-2-butenoyl-(?3)-2-O-acetyl-?-L-arabinopyranoside] C27H42O7 478.293053 NA MeJP NA NA +MJ070994 2,3,11,14,20,22-Hexahydroxycholesta-7,24-dien-6-one C27H42O7 478.293053 NA MeJP NA NA +MJ070995 2,3,11,14,20,22-Hexahydroxycholesta-7,25-dien-6-one C27H42O7 478.293053 NA MeJP NA NA +MJ070996 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 2-Ketone C27H42O7 478.293053 NA MeJP NA NA +MJ070997 2,3,14,20,22,25-Hexahydroxycholesta-4,7-dien-6-one C27H42O7 478.293053 NA MeJP NA NA +MJ070998 22,25-Epoxy-2,3,5,14,20-pentahydroxycholest-7-en-6-one C27H42O7 478.293053 NA MeJP NA NA +MJ070999 3,12-Cyathadiene-11,14,15-triol, 15-Aldehyde, 11-Et ether, 14-O-?-D-xylopyranoside C27H42O7 478.293053 NA MeJP NA NA +MJ071000 8(17),14-Labdadiene-2,3,7,13,20-pentol, 2-Angeloyl, 20-Ac C27H42O7 478.293053 NA MeJP NA NA +MJ071001 8,20-Epoxy-14-labdene-2,3,7,13-tetrol, 2-Angeloyl, 3-Ac C27H42O7 478.293053 NA MeJP NA NA +MJ071002 Acutiphycin; 20,21-Didehydro C27H42O7 478.293053 NA MeJP NA NA +MJ071003 Spirost-25(27)-ene-1,3,4,5,6-pentol C27H42O7 478.293053 NA MeJP NA NA +MJ071004 Spirostane-2,3,5,6,24-pentol, 6-Ketone C27H42O7 478.293053 NA MeJP NA NA +MJ071005 Vulgaroside; 25-Ac C27H42O7 478.293053 NA MeJP NA NA +MJ071006 N-[2-[2-[(Dipropylamino)methyl]-1-piperidinyl]ethyl]-5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide C27H38N6O2 478.305624 NA MeJP NA NA +MJ071007 Abiesanolide A; Me ester C31H42O4 478.308309 NA MeJP NA NA +MJ071008 Ergosta-22,25-dien-3-ol, O-Sulfate C28H46O4S 478.31168 NA MeJP NA NA +MJ071009 2,3,14,20,22-Pentahydroxyergost-7-en-6-one C28H46O6 478.329439 NA MeJP NA NA +MJ071010 3,11,14,20,22-Pentahydroxyergost-7-en-6-one C28H46O6 478.329439 NA MeJP NA NA +MJ071011 6,13:12,16-Diepoxy-8(19)-eunicellene-4,9,11-triol, 11-Octanoyl C28H46O6 478.329439 NA MeJP NA NA +MJ071012 7,14-Labdadien-13-ol, O-(4-Acetyl-6-deoxy-?-L-idopyranoside) C28H46O6 478.329439 NA MeJP NA NA +MJ071013 Brassinolide; 23-Ketone, 24-epimer C28H46O6 478.329439 NA MeJP NA NA +MJ071014 Dolicholide C28H46O6 478.329439 NA MeJP NA NA +MJ071015 Hippuristanol; 2?-Hydroxy C28H46O6 478.329439 NA MeJP NA NA +MJ071016 16,28-Dotriacontadiene-2,4,6,31-tetrayne-1,8,30-triol C32H46O3 478.344695 NA MeJP NA NA +MJ071017 21-Hydroxycycloarta-1,11,24-trien-3-one; Ac C32H46O3 478.344695 NA MeJP NA NA +MJ071018 2,3,22,23-Tetrahydroxystigmastan-6-one C29H50O5 478.365824 NA MeJP NA NA +MJ071019 3,7,12-Trihydroxystigmastan-26-oic acid C29H50O5 478.365824 NA MeJP NA NA +MJ071020 Cholestane-3,5,6,17-tetrol, 6-Ac C29H50O5 478.365824 NA MeJP NA NA +MJ071021 Cholestane-3,5,6,18-tetrol, 18-Ac C29H50O5 478.365824 NA MeJP NA NA +MJ071022 Cholestane-3,5,6,26-tetrol, 26-Ac C29H50O5 478.365824 NA MeJP NA NA +MJ071023 ?-Tocopherolhydroquinone; 1,4-Quinone, 11'?,14'S-dihydroxy C29H50O5 478.365824 NA MeJP NA NA +MJ071024 Efrapeptin B C26H48N5O3 478.375715 NA MeJP NA NA +MJ071025 Araguspongine C C28H50N2O4 478.377058 NA MeJP NA NA +MJ071026 Carpaine C28H50N2O4 478.377058 NA MeJP NA NA +C10135 Carpaine C28H50N2O4 478.3771 NA KEGG NA NA +MJ071027 4-Methyl-7-(1-methylethenyl)-1-azulenecarboxaldehyde; 15-Alcohol, octadecanoyl C33H50O2 478.38108 NA MeJP NA NA +MJ071028 Plakinamine B; 3-Epimer, 4-oxo, N3-Me C32H50N2O 478.392314 NA MeJP NA NA +MJ071029 2,6,10,15,19,23-Hexamethyl-6,10,14,18-tetracosatetraene-2,3,22,23-tetrol C30H54O4 478.40221 NA MeJP NA NA +MJ071030 Quassiol D C30H54O4 478.40221 NA MeJP NA NA +MJ071031 Sapelenin B C30H54O4 478.40221 NA MeJP NA NA +MJ071032 10,14,16-Hentriacontanetrione C31H58O3 478.438595 NA MeJP NA NA +MJ071033 7,16,18-Hentriacontanetrione C31H58O3 478.438595 NA MeJP NA NA +MJ071034 10,12-Dotriacontanedione C32H62O2 478.474981 NA MeJP NA NA +MJ071035 11,13-Dotriacontanedione C32H62O2 478.474981 NA MeJP NA NA +MJ071036 11-Oxodotriacontanal C32H62O2 478.474981 NA MeJP NA NA +MJ071037 12,14-Dotriacontanedione C32H62O2 478.474981 NA MeJP NA NA +MJ071038 13-Oxodotriacontanal C32H62O2 478.474981 NA MeJP NA NA +MJ071039 15-Oxodotriacontanal C32H62O2 478.474981 NA MeJP NA NA +MJ071040 22-Methyl-3,19-hentriacontanedione C32H62O2 478.474981 NA MeJP NA NA +MJ071041 7-Oxodotriacontanal C32H62O2 478.474981 NA MeJP NA NA +MJ071042 8-Dotriacontenoic acid C32H62O2 478.474981 NA MeJP NA NA +MJ071043 9-Octadecenoic acid, Tetradecyl ester C32H62O2 478.474981 NA MeJP NA NA +MJ071044 9-Oxodotriacontanal C32H62O2 478.474981 NA MeJP NA NA +MJ071045 12-Tritriacontanone C33H66O 478.511366 NA MeJP NA NA +MJ071046 16-Tritriacontanone C33H66O 478.511366 NA MeJP NA NA +MJ071047 2-Tritriacontanone C33H66O 478.511366 NA MeJP NA NA +MJ071048 23-Methyl-3-dotriacontanone C33H66O 478.511366 NA MeJP NA NA +MJ071049 27-Cyclohexyl-7-heptacosanol C33H66O 478.511366 NA MeJP NA NA +MJ071050 3-Tritriacontanone C33H66O 478.511366 NA MeJP NA NA +MJ071051 4-Tritriacontanone C33H66O 478.511366 NA MeJP NA NA +MJ071052 6-Tritriacontanone C33H66O 478.511366 NA MeJP NA NA +MJ071053 9-Tritriacontanone C33H66O 478.511366 NA MeJP NA NA +MJ071054 Tetratriacontane C34H70 478.547752 NA MeJP NA NA +7659 ACE inhibitor from as2-CN (92-98) FPQYLQY 478.723 MH2+ Inhouse_peptide NA peptide +7735 Led-NPF-II APSLRLRF~ 478.7875 MH2+ Inhouse_peptide NA peptide +C14847 3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene C16H22BrN3O7S 479.0362 NA KEGG NA NA +C14848 2,3-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene C16H22BrN3O7S 479.0362 NA KEGG NA NA +MJ071055 Cefteram C16H17N9O5S2 479.079406 NA MeJP NA NA +MJ071056 Chingazumianine C23H23Cl2NO6 479.090242 NA MeJP NA NA +MJ071057 7-(Methylthio)heptyl glucosinolate; S-Oxide C15H29NO10S3 479.095358 NA MeJP NA NA +FL7AAHGA0001 Petunidin 3-galactoside C22H23O12 479.11895 28500-02-9 knapsack NA NA +FL7AAHGL0001 Petunidin 3-glucoside C22H23O12 479.11895 6988-81-4 knapsack NA NA +FL7ABGGL0001 Pulchellidin 3-glucoside C22H23O12 479.11895 - knapsack NA NA +C12139 Petunidin 3-O-glucoside C22H23O12 479.119 NA KEGG NA NA +MJ071058 Polyoxin M; 5-Fluoro C16H22FN5O11 479.129984 NA MeJP NA NA +PJ002336 CNDE C16H25N5O10S 479.1322 NA PeJP NA NA +PJ002337 GCDW C20H25N5O7S 479.1475 NA PeJP NA NA +PJ002338 GSSDD C16H25N5O12 479.15 NA PeJP NA NA +PJ002339 GPTCC C17H29N5O7S2 479.1509 NA PeJP NA NA +MJ071059 Nikkomycin PX C20H25N5O9 479.165227 NA MeJP NA NA +MJ071060 Nikkomycin X; 5'''-Deoxy C20H25N5O9 479.165227 NA MeJP NA NA +MJ071061 Nikkomycin Z; 5'''-Deoxy C20H25N5O9 479.165227 NA MeJP NA NA +PJ002340 SNEM C17H29N5O9S 479.1686 NA PeJP NA NA +MJ071062 Kalihinol F; 5,10,16-Triisothiocyanate C23H33N3O2S3 479.173489 NA MeJP NA NA +MJ071063 1-(N,N-Dimethylcarbamoyl)-4-ethynyl-3-[3-fluoro-4-[(1H-2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole C28H22FN5O2 479.175753 NA MeJP NA NA +PJ002341 SCDR C16H29N7O8S 479.1799 NA PeJP NA NA +PJ002342 GSMW C21H29N5O6S 479.1839 NA PeJP NA NA +MJ071064 Ailanthoidine C29H25N3O4 479.184506 NA MeJP NA NA +PJ002343 GSSTE C17H29N5O11 479.1864 NA PeJP NA NA +PJ002344 AQMM C18H33N5O6S2 479.1872 NA PeJP NA NA +PJ002345 GAAMM C18H33N5O6S2 479.1873 NA PeJP NA NA +MJ071065 Stephabenine C27H29NO7 479.194402 NA MeJP NA NA +PJ002346 ACMR C17H33N7O5S2 479.1985 NA PeJP NA NA +PJ002347 SSTW C21H29N5O8 479.2016 NA PeJP NA NA +PJ002348 SDKM C18H33N5O8S 479.205 NA PeJP NA NA +C07264 Nicardipine C26H29N3O6 479.2056 NA KEGG NA NA +C07265 Transferred to D00436 C26H29N3O6 479.2056 NA KEGG NA NA +MJ071066 Nicardipine C26H29N3O6 479.205635 NA MeJP NA NA +MJ071067 Picrasidine F C29H27N4O3 479.208315 NA MeJP NA NA +MJ071068 Meticillin; Diethylaminoethyl ester C23H33N3O6S 479.209006 NA MeJP NA NA +PJ002349 SSMR C17H33N7O7S 479.2162 NA PeJP NA NA +PJ002350 QFW C25H29N5O5 479.2169 NA PeJP NA NA +C15328 N,N-Diethyl-2-[4-[6-methoxy-2-(4-methoxyphenyl)-1H-inden-3- C29H33NO3 479.2227 NA KEGG NA NA +PJ002351 SSSSL C18H33N5O10 479.2228 NA PeJP NA NA +PJ002352 AKMM C19H37N5O5S2 479.2236 NA PeJP NA NA +MJ071069 N-[4-[(2-Amino-3-mercaptopropyl)amino]-2-(1-naphthalenyl)benzoyl]leucine, Me ester C27H33N3O3S 479.224262 NA MeJP NA NA +MJ071070 Antibiotic F 1778 C28H33NO6 479.230787 NA MeJP NA NA +8328 ACE inhibitor VYNEGLPAP 479.23095 MH2+ Inhouse_peptide NA peptide +8191 peptide from human milk HNPI 479.2369 Short chain quaternary ammonium salts ;SYN:(Carboxymethyl)trimethylammonium hydroxide inner salt; (Trimethylammonio)acetate; 1-Carboxy-N,N,N-trimethylmethanaminium inner salt; 1-carboxy-N,N,N-trimethyl-Methanaminium; 1-carboxy-N,N,N-trimethyl-Methanaminium hydroxide; Abromine; Aminocoat; Betafin; Betafin BCR; Betafin BP; Betaine; Cystadane; Ektasolve EE; FinnStim; Glycine betaine; Glycocoll betaine; Glycylbetaine; Greenstim; Loramine AMB 13; Loramine AMB-13; Lycine; N,N,N-Trimethylglycine; Oxyneurine; Rubrine C; Trimethylaminoacetate; Trimethylaminoacetic acid; Trimethylglycine; Trimethylglycocoll; a-Earleine; alpha-Earleine; trimethylbetaine GlycineH2Blood; Urine Inhouse_peptide NA peptide +PJ002353 GLQY C22H33N5O7 479.238 NA PeJP NA NA +7748 ACE inhibitor from Yellowfish sole frame MIFPGGPQL 479.2402 MH2+ Inhouse_peptide NA peptide +PJ002354 TTKM C19H37N5O7S 479.2414 NA PeJP NA NA +8095 peptide derived from rice endosperm protein FRDEHKK 479.24195 MH2+ Inhouse_peptide NA peptide +MJ071071 Andrimid C27H33N3O5 479.242021 NA MeJP NA NA +MJ071072 Codonocarpine, N15-Me C27H33N3O5 479.242021 NA MeJP NA NA +MJ071073 Fumitremorgin B C27H33N3O5 479.242021 NA MeJP NA NA +PJ002355 AARY C21H33N7O6 479.2493 NA PeJP NA NA +PJ002356 KFW C26H33N5O4 479.2533 NA PeJP NA NA +PJ002357 APHR C20H33N9O5 479.2605 NA PeJP NA NA +8157 ACE inhibitor from b-CN (63-67) PGPIP 479.261 antibacterial Inhouse_peptide NA peptide +MJ071074 Cytochalasin B C29H37NO5 479.267173 NA MeJP NA NA +MJ071075 Cytochalasin F C29H37NO5 479.267173 NA MeJP NA NA +MJ071076 Lythramine C29H37NO5 479.267173 NA MeJP NA NA +MJ071077 Lythrancine I; 4-Deoxy, O11-Ac C29H37NO5 479.267173 NA MeJP NA NA +MJ071078 Paxilline; 3?-Alcohol, 3-Ac C29H37NO5 479.267173 NA MeJP NA NA +C10604 Lythramine C29H37NO5 479.2672 NA KEGG NA NA +JH236 Taurocholic acid [M+H-2H2O]+ NA 479.272 25.3 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH236 Taurocholic acid [M+H-2H2O]+ NA 479.272 25.3 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH236 Taurocholic acid [M+H-2H2O]+ NA 479.272 25.3 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH236 Taurocholic acid [M+H-2H2O]+ NA 479.272 25.3 Inhousejuil11 NA NA +PJ002358 GLKY C23H37N5O6 479.2744 NA PeJP NA NA +PJ002359 PVKH C22H37N7O5 479.2856 NA PeJP NA NA +C08675 Delcorine C26H41NO7 479.2883 NA KEGG NA NA +MJ071079 10-Hydroxyperegrine C26H41NO7 479.288302 NA MeJP NA NA +MJ071080 Akirane C26H41NO7 479.288302 NA MeJP NA NA +MJ071081 Delcorine C26H41NO7 479.288302 NA MeJP NA NA +MJ071082 Dihydrogadesine; O1-Me, O14-Ac C26H41NO7 479.288302 NA MeJP NA NA +MJ071083 Neoline; 1-Epimer, O14-Ac C26H41NO7 479.288302 NA MeJP NA NA +MJ071084 Neoline; 6-Epimer, O14-Ac C26H41NO7 479.288302 NA MeJP NA NA +MJ071085 Neoline; O14-Ac C26H41NO7 479.288302 NA MeJP NA NA +MJ071086 Neoline; O8-Ac C26H41NO7 479.288302 NA MeJP NA NA +MJ071087 Norerythrostachamine; O3-Ac C26H41NO7 479.288302 NA MeJP NA NA +MJ071088 Senbusine A; O8-Me, 14-Ac, 6-epimer C26H41NO7 479.288302 NA MeJP NA NA +MJ071089 Talitine B C26H41NO7 479.288302 NA MeJP NA NA +MJ071090 3',4'-Dideoxykanamycin B; 3'',6'-N,N-Di-Me C20H41N5O8 479.295513 NA MeJP NA NA +MJ071091 Combimicin B1 C20H41N5O8 479.295513 NA MeJP NA NA +MJ071092 Gentamicin C; Gentamicin C2b, 2-Hydroxy C20H41N5O8 479.295513 NA MeJP NA NA +EUR587 LysoPE(18:1) NA 479.301175 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR587 LysoPE(18:1) [M-H]+ 479.301175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR587 LysoPE(18:1) NA 479.301175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR587 LysoPE(18:1) [M-H]+ 479.301175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR587 LysoPE(18:1) NA 479.301175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR587 LysoPE(18:1) [M-H]+ 479.301175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR587 LysoPE(18:1) NA 479.301175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR587 LysoPE(18:1) NA 479.301175 identifiés dans sérum NuGO HMDB NA NA +EUR587 LysoPE(18:1) NA 479.301175 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR587 LysoPE(18:1) [M-H]+ 479.301175 identifies dans serum NuGO Inhousejuil11 NA NA +EUR587 LysoPE(18:1) NA 479.301175 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR587 LysoPE(18:1) NA 479.301175 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +HMDB11475 LysoPE(0:0/18:1(11Z)) C23H46NO7P 479.301178 NA HMDB2010 NA NA +HMDB11476 LysoPE(0:0/18:1(9Z)) C23H46NO7P 479.301178 NA HMDB2010 NA NA +HMDB11505 LysoPE(18:1(11Z)/0:0) C23H46NO7P 479.301178 NA HMDB2010 NA NA +HMDB11506 LysoPE(18:1(9Z)/0:0) C23H46NO7P 479.301178 NA HMDB2010 NA NA +EUR721 Lyso PC 16:1 [M-H-CH3]- C24H48NO7P 479.301192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR839 Lyso PE 18:1 monoisotopic mass C23H46NO7P 479.301192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR721 Lyso PC 16:1 [M-H-CH3]- C24H48NO7P 479.301192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR839 Lyso PE 18:1 monoisotopic mass C23H46NO7P 479.301192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR721 Lyso PC 16:1 [M-H-CH3]- C24H48NO7P 479.301192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR839 Lyso PE 18:1 monoisotopic mass C23H46NO7P 479.301192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR721 Lyso PC 16:1 [M-H-CH3]- C24H48NO7P 479.301192 masses lipides attendues Inhousejuil11 NA NA +EUR839 Lyso PE 18:1 monoisotopic mass C23H46NO7P 479.301192 masses lipides attendues Inhousejuil11 NA NA +EUR588 LysoPE(18:1) NA 479.301225 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR588 LysoPE(18:1) [M-H]- 479.301225 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR588 LysoPE(18:1) NA 479.301225 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR588 LysoPE(18:1) [M-H]- 479.301225 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR588 LysoPE(18:1) NA 479.301225 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR588 LysoPE(18:1) [M-H]- 479.301225 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR588 LysoPE(18:1) NA 479.301225 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR588 LysoPE(18:1) NA 479.301225 identifiés dans sérum NuGO HMDB NA NA +EUR588 LysoPE(18:1) NA 479.301225 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR588 LysoPE(18:1) [M-H]- 479.301225 identifies dans serum NuGO Inhousejuil11 NA NA +EUR588 LysoPE(18:1) NA 479.301225 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR588 LysoPE(18:1) NA 479.301225 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +MJ071093 Cafamycin C30H41NO4 479.303558 NA MeJP NA NA +MJ071094 20-Aminopregn-5-en-3-ol, O-?-D-Glucopyranoside C27H45NO6 479.324688 NA MeJP NA NA +MJ071095 Amphiasterin C1 C27H45NO6 479.324688 NA MeJP NA NA +MJ071096 Pingpeimine B C27H45NO6 479.324688 NA MeJP NA NA +HMDB10407 LysoPC(P-16:0) C24H50NO6P 479.337585 NA HMDB2010 NA NA +MJ071097 2-Amino-1,3,4-octadecanetriol, 1-O-?-D-Glucopyranoside C24H49NO8 479.345817 NA MeJP NA NA +MJ071098 Molliorin A C32H49NO2 479.376329 NA MeJP NA NA +3792 peptide from soybean b-conglycinin (Glycine max) VNPHDHQN 479.70335 MH2+ Inhouse_peptide NA peptide +3408 ACE inhibitor PFFDPQIP 479.73045 MH2+ Inhouse_peptide NA peptide +2612 synthetic peptide inhibitors of (PEP) VYPFPGPIA 479.7485 MH2+ Inhouse_peptide NA peptide +MJ071099 6,14,16-Tribromo-5,7,9,13,15-hexadecapentaenoic acid C16H19Br3O2 479.893517 NA MeJP NA NA +MJ071100 Cacoxanthene; 2?,7,13-Tribromo, 9?-hydroxy C16H19Br3O2 479.893517 NA MeJP NA NA +MJ071101 Cacoxanthene; 2?,7,13-Tribromo, 9?-hydroxy C16H19Br3O2 479.893517 NA MeJP NA NA +MJ071102 Tribromospirocacoxanthene C16H19Br3O2 479.893517 NA MeJP NA NA +MJ071103 Gliovirin C20H20N2O8S2 480.066107 NA MeJP NA NA +MJ071104 Xantholaccaic acid B C24H16O11 480.069261 NA MeJP NA NA +C06773 11-O-Demethylpradinone II C24H16O11 480.0693 NA KEGG NA NA +MJ071105 Irieol F; 10-Deoxy C20H34Br2O3 480.08747 NA MeJP NA NA +MJ071106 Irieol F; 7-Deoxy C20H34Br2O3 480.08747 NA MeJP NA NA +MJ071107 2',3,3',4',5,7-Hexahydroxyflavone; 3-O-?-D-Glucopyranoside C21H20O13 480.09039 NA MeJP NA NA +MJ071108 3',4',5',6,7,8-Hexahydroxyflavone; 8-O-?-D-Glucopyranoside C21H20O13 480.09039 NA MeJP NA NA +MJ071109 3',4',5,5',7,8-Hexahydroxyflavone; 5-O-?-D-Glucopyranoside C21H20O13 480.09039 NA MeJP NA NA +MJ071110 3,3',4',5,5',7-Hexahydroxyflavone; 3'-O-?-D-Glucopyranoside C21H20O13 480.09039 NA MeJP NA NA +MJ071111 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-D-Galactopyranoside C21H20O13 480.09039 NA MeJP NA NA +MJ071112 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-D-Glucopyranoside C21H20O13 480.09039 NA MeJP NA NA +MJ071113 3,3',4',5,5',7-Hexahydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O13 480.09039 NA MeJP NA NA +MJ071114 3,3',4',5,5',7-Hexahydroxyflavone; O-D-Galactoside C21H20O13 480.09039 NA MeJP NA NA +MJ071115 3,3',4',5,6,7-Hexahydroxyflavone; 3-O-?-D-Galactopyranoside C21H20O13 480.09039 NA MeJP NA NA +MJ071116 3,3',4',5,6,7-Hexahydroxyflavone; 3-O-?-D-Glucopyranoside C21H20O13 480.09039 NA MeJP NA NA +MJ071117 3,3',4',5,6,7-Hexahydroxyflavone; 6-O-?-D-Glucopyranoside C21H20O13 480.09039 NA MeJP NA NA +MJ071118 3,3',4',5,6,7-Hexahydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O13 480.09039 NA MeJP NA NA +MJ071119 3,3',4',5,7,8-Hexahydroxyflavone; 3-O-?-D-Galactopyranoside C21H20O13 480.09039 NA MeJP NA NA +MJ071120 3,3',4',5,7,8-Hexahydroxyflavone; 3-O-?-D-Glucopyranoside C21H20O13 480.09039 NA MeJP NA NA +MJ071121 3,3',4',5,7,8-Hexahydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O13 480.09039 NA MeJP NA NA +MJ071122 3,3',4',5,7,8-Hexahydroxyflavone; 7-O-?-D-Glucopyranoside C21H20O13 480.09039 NA MeJP NA NA +MJ071123 3,3',4',5,7,8-Hexahydroxyflavone; 8-O-?-D-Glucopyranoside C21H20O13 480.09039 NA MeJP NA NA +MJ071124 Bergenin; 11-O-(3,4,5-Trihydroxybenzoyl) C21H20O13 480.09039 NA MeJP NA NA +MJ071125 Bergenin; 4-O-(3,4,5-Trihydroxybenzoyl) C21H20O13 480.09039 NA MeJP NA NA +MJ071126 Shamimin C21H20O13 480.09039 NA MeJP NA NA +MJ071127 Telephioidin C21H20O13 480.09039 NA MeJP NA NA +FL3FA8CS0001 Telephioidin;6-C-beta-D-glucopyranosyl-5,7,2',3',5',6'-hexahydroxyflavone C21H20O13 480.09039 274688-04-9 knapsack NA NA +FL3FEGGS0002 6-Hydroxytricetin 5-glucoside C21H20O13 480.09039 - knapsack NA NA +FL3FGCGS0012 Zeravschanoside;5,6,7,8,3',4'-Hexsahydroxy 7-glucoside;2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5,6,8-trihydroxy-4H-1-benzopyran-4-one C21H20O13 480.09039 404891-11-8 knapsack NA NA +FL5FAGGA0001 Myricetin 3-galactoside C21H20O13 480.09039 15648-86-9 knapsack NA NA +FL5FAGGL0001 Myricetin 3-glucoside C21H20O13 480.09039 19833-12-6 knapsack NA NA +FL5FAGGS0006 Myricetin 7-glucoside C21H20O13 480.09039 34069-06-2 knapsack NA NA +FL5FAGGS0008 Myricetin 3'-glucoside C21H20O13 480.09039 520-14-9 knapsack NA NA +FL5FALGL0001 3,5,7,2',3',4'-Hexahydroxyflavone 3-glucoside;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(2,3,4-trihydroxyphenyl)-4H-1-benzopyran-4-one C21H20O13 480.09039 161833-36-9 knapsack NA NA +FL5FECGL0001 Tagetiin C21H20O13 480.09039 60671-81-0 knapsack NA NA +FL5FECGS0002 Quercetagetin 7-glucoside C21H20O13 480.09039 548-75-4 knapsack NA NA +FL5FECGS0052 Quercetagetin 6-glucoside;6-Hydroxyquercetin 6-glucoside;2-(3,4-Dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-3,5,7-trihydroxy-4H-1-benzopyran-4-one C21H20O13 480.09039 190328-61-1 knapsack NA NA +FL5FFCGA0001 Gossypetin 3-galactoside C21H20O13 480.09039 76960-04-8 knapsack NA NA +FL5FFCGL0001 Gossypetin 3-glucoside C21H20O13 480.09039 38965-52-5 knapsack NA NA +FL5FFCGS0003 Gossypetin 7-glucoside C21H20O13 480.09039 489-34-9 knapsack NA NA +FL5FFCGS0005 Gossypetin 8-glucoside C21H20O13 480.09039 652-78-8 knapsack NA NA +C10051 Gossypin C21H20O13 480.0904 NA KEGG NA NA +C17514 4-o-Galloylbergenin C21H20O13 480.0904 NA KEGG NA NA +C17520 11-o-Galloylbergenin C21H20O13 480.0904 NA KEGG NA NA +MJ071128 Doconazole C26H22Cl2N2O3 480.100747 NA MeJP NA NA +MJ071129 Rhodiolin C25H20O10 480.105646 NA MeJP NA NA +MJ071130 Scutellaprostin A; 3',4'-Dihydroxy C25H20O10 480.105646 NA MeJP NA NA +MJ071131 Scutellaprostin D; 3',4'-Dihydroxy C25H20O10 480.105646 NA MeJP NA NA +MJ071132 Silybin; 2,3-Didehydro C25H20O10 480.105646 NA MeJP NA NA +MJ071133 Silychristin; 2,3-Didehydro C25H20O10 480.105646 NA MeJP NA NA +PJ002360 CDDE C16H24N4O11S 480.1163 NA PeJP NA NA +MJ071134 Staphyloferrin A C17H24N2O14 480.122753 NA MeJP NA NA +MJ071135 Cefepime C19H24N6O5S2 480.124959 NA MeJP NA NA +C08111 Cefepime C19H24N6O5S2 480.125 NA KEGG NA NA +FL4DAHGS0001 Ampelopsin 3'-methyl ether 4'-rhamnoside C22H24O12 480.12677 71106-80-4 knapsack NA NA +FL4DCCGS0001 Padmatin 3-glucoside C22H24O12 480.12677 34425-46-2 knapsack NA NA +FL4DCCGS0002 Padmatin 5-glucoside C22H24O12 480.12677 93078-94-5 knapsack NA NA +MJ071136 2',5,5',6,7-Pentahydroxyflavanone, 6-Me ether, 2'-O-?-D-glucopyranoside C22H24O12 480.126776 NA MeJP NA NA +MJ071137 2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 6-Me ether, 8-O-(6-O-oxalyl-?-D-glucopyranoside) C22H24O12 480.126776 NA MeJP NA NA +MJ071138 3,3',4',5,5',7-Hexahydroxyflavanone, 3'-Me ether, 4'-O-?-L-rhamnopyranoside C22H24O12 480.126776 NA MeJP NA NA +MJ071139 3,3',4',5,7-Pentahydroxyflavanone, 7-Me ether, 3-O-?-D-glucopyranoside C22H24O12 480.126776 NA MeJP NA NA +MJ071140 3,3',4',5,7-Pentahydroxyflavanone, 7-Me ether, 5-O-?-D-glucopyranoside C22H24O12 480.126776 NA MeJP NA NA +MJ071141 3,4-Dihydroxybenzoic acid; 3-Me ether, 4-O-[4-hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] C22H24O12 480.126776 NA MeJP NA NA +MJ071142 Antibiotic TAN 1030A; 7-Oxo C27H20N4O5 480.143369 NA MeJP NA NA +PJ002361 CNNM C16H28N6O7S2 480.1461 NA PeJP NA NA +MJ071143 Napyradiomycin A C25H30Cl2O5 480.147029 NA MeJP NA NA +PJ002362 SDEM C17H28N4O10S 480.1526 NA PeJP NA NA +PJ002363 PCMM C18H32N4O5S3 480.1535 NA PeJP NA NA +MJ071144 6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 12-Ketone, 2,9-di-Ac C24H29ClO8 480.155095 NA MeJP NA NA +MJ071145 7-Protoilludene-1,5,6,9,14-pentol, 14-Aldehyde, 5-(3-chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) C24H29ClO8 480.155095 NA MeJP NA NA +MJ071146 Blestriarene C; 9,10-Dihydro C30H24O6 480.157288 NA MeJP NA NA +MJ071147 Blestrin C C30H24O6 480.157288 NA MeJP NA NA +MJ071148 Blestrin D C30H24O6 480.157288 NA MeJP NA NA +C10248 Blestriarene B C30H24O6 480.1573 NA KEGG NA NA +MJ071149 Prospidium(2+); Dichloride C18H36Cl4N4O2 480.159237 NA MeJP NA NA +MJ071150 2,3-Epoxy-8,9-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(3S-Acetoxy-2R-hydroxy-2-methylbutanoyl), Me ester C23H28O11 480.163161 NA MeJP NA NA +MJ071151 2-Isopropyl-5-methyl-1,4-benzenediol; 5-O-(3-O-3,4,5-Trihydroxybenzoyl-?-D-glucopyranoside) C23H28O11 480.163161 NA MeJP NA NA +MJ071152 2-Isopropyl-5-methyl-1,4-benzenediol; 5-O-(6-O-3,4,5-Trihydroxybenzoyl-?-D-glucopyranoside) C23H28O11 480.163161 NA MeJP NA NA +MJ071153 4,5-Epoxy-3,8,9-trihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-(2R,3R-Epoxy-2-methylbutanoyl), 9-Ac, Me ester C23H28O11 480.163161 NA MeJP NA NA +MJ071154 4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(2-Hydroxymethylpropenoyl), 10,13-di-Ac C23H28O11 480.163161 NA MeJP NA NA +MJ071155 6-Methoxy-5-(3-methyl-2-butenyl)-2H-furo[2,3-h][1]benzopyran-2-one; 2',3'-Dihydro, 2',3'-dihydroxy, 3'-O-?-D-glucopyranoside C23H28O11 480.163161 NA MeJP NA NA +MJ071156 8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Ac, 15-O-?-D-glucopyranoside C23H28O11 480.163161 NA MeJP NA NA +MJ071157 Albiflorin C23H28O11 480.163161 NA MeJP NA NA +MJ071158 Aucubigenin; 10-O-(4-Methoxybenzoyl), 1-O-?-D-glucopyranoside C23H28O11 480.163161 NA MeJP NA NA +MJ071159 Bruceanol A; 15-Deacyl, 15-Ac C23H28O11 480.163161 NA MeJP NA NA +MJ071160 Bruceolide; 15-Ac C23H28O11 480.163161 NA MeJP NA NA +MJ071161 Loganic acid; 7-O-Benzoyl C23H28O11 480.163161 NA MeJP NA NA +MJ071162 Paeoniflorin C23H28O11 480.163161 NA MeJP NA NA +MJ071163 Protofarrerol; 7-O-?-D-Glucopyranoside C23H28O11 480.163161 NA MeJP NA NA +MJ071164 Tecomoside; 7-Benzoyl C23H28O11 480.163161 NA MeJP NA NA +C08751 Bruceine B C23H28O11 480.1632 NA KEGG NA NA +C08770 Isobrucein B C23H28O11 480.1632 NA KEGG NA NA +C09959 Paeoniflorin C23H28O11 480.1632 NA KEGG NA NA +PJ002364 GSSCQ C16H28N6O9S 480.1639 NA PeJP NA NA +PJ002365 PCDF C21H28N4O7S 480.1679 NA PeJP NA NA +PJ002366 AEMM C18H32N4O7S2 480.1713 NA PeJP NA NA +MJ071165 Tajixanthone; 14-Hydroxy, 25-Ac C27H28O8 480.178417 NA MeJP NA NA +MJ071166 Antibiotic K 252b; 3'-Deoxy, 3'-(methylamino), Me ester C28H24N4O4 480.179755 NA MeJP NA NA +MJ071167 Picrasidine H C28H24N4O4 480.179755 NA MeJP NA NA +MJ071168 Staurosporine; 7-Oxo C28H24N4O4 480.179755 NA MeJP NA NA +PJ002367 SSSSN C16H28N6O11 480.1816 NA PeJP NA NA +MJ071169 Tetrahydro-2-[3-methoxy-5-(methylsulfonyl)-4-propoxyphenyl]-5-(3,4,5-trimethoxyphenyl)furan C24H32O8S 480.181788 NA MeJP NA NA +PJ002368 CCQK C17H32N6O6S2 480.1825 NA PeJP NA NA +MJ071170 Eleganoside C; 7-O-De-Me, 7-(2-hydroxypropyl) ether C20H32O13 480.184291 NA MeJP NA NA +MJ071171 5-Pentadecyl-1,3-benzenediol; Di-O-sulfate C21H36O8S2 480.185159 NA MeJP NA NA +PJ002369 SPDY C21H28N4O9 480.1856 NA PeJP NA NA +PJ002370 GEEF C21H28N4O9 480.1857 NA PeJP NA NA +PJ002371 TTEM C18H32N4O9S 480.189 NA PeJP NA NA +PJ002372 GMHH C19H28N8O5S 480.1904 NA PeJP NA NA +PJ002373 GNQY C20H28N6O8 480.1969 NA PeJP NA NA +C16752 Acevaltrate C24H32O10 480.1995 NA KEGG NA NA +MJ071172 1,4,5,8,13-Pentahydroxy-7(11)-muurolen-12,6-olide, 8-Tigloyl, 5,13-di-Ac C24H32O10 480.199547 NA MeJP NA NA +MJ071173 1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-(3-Methylbutanoyl), 8,13-di-Ac C24H32O10 480.199547 NA MeJP NA NA +MJ071174 17(15?16)-Abeo-3?,18-diacetoxy-6?,7?,16-trihydroxyroyleanone C24H32O10 480.199547 NA MeJP NA NA +MJ071175 2,8,9,15-Tetrahydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8,9-Bis(2-methylpropanoyl), Me ester C24H32O10 480.199547 NA MeJP NA NA +MJ071176 5,10-Epoxy-3,8,15-trihydroxy-11(13)-germacren-12,6-olide, 8-(2-Acetoxymethyl-2Z-butenoyl), 15-Ac C24H32O10 480.199547 NA MeJP NA NA +MJ071177 5,10-Epoxy-3,8,15-trihydroxy-11(13)-germacren-12,6-olide, 8-(2-Acetoxymethyl-2Z-butenoyl), 3-Ac C24H32O10 480.199547 NA MeJP NA NA +MJ071178 Alysine B; 3-De-Ac C24H32O10 480.199547 NA MeJP NA NA +MJ071179 Soulameanone; 1,12-Di-Ac C24H32O10 480.199547 NA MeJP NA NA +MJ071180 Valtrate; 2''-Acetoxy C24H32O10 480.199547 NA MeJP NA NA +MJ071181 Valtrate; 3'-Acetoxy C24H32O10 480.199547 NA MeJP NA NA +PJ002374 GSSCK C17H32N6O8S 480.2003 NA PeJP NA NA +PJ002375 EFW C25H28N4O6 480.2009 NA PeJP NA NA +PJ002376 APMY C22H32N4O6S 480.2043 NA PeJP NA NA +MJ071182 Paraensidimerine A; 16,16a-Didehydro C30H28N2O4 480.204907 NA MeJP NA NA +PJ002377 SLMM C19H36N4O6S2 480.2076 NA PeJP NA NA +MJ071183 Methionylmethionylisoleucylalanineyl C19H36N4O6S2 480.207626 NA MeJP NA NA +PJ002378 STHH C19H28N8O7 480.2081 NA PeJP NA NA +15 Actomyosin DLYA 480.211 celiac toxic Inhouse_peptide NA peptide +MJ071184 Quinespar C24H28N6O5 480.212118 NA MeJP NA NA +MJ071185 Spirofylline C24H28N6O5 480.212118 NA MeJP NA NA +MJ071186 Cedrelone; 11?-Acetoxy C28H32O7 480.214803 NA MeJP NA NA +MJ071187 Garcidepsidone A C28H32O7 480.214803 NA MeJP NA NA +MJ071188 Garcidepsidone B C28H32O7 480.214803 NA MeJP NA NA +MJ071189 Melifolin C28H32O7 480.214803 NA MeJP NA NA +MJ071190 Sorbiquinol C28H32O7 480.214803 NA MeJP NA NA +PJ002379 PPMH C21H32N6O5S 480.2155 NA PeJP NA NA +C15552 PD 123177 C29H28N4O3 480.2161 NA KEGG NA NA +MJ071191 1-[(4-Amino-3-methylphenyl)methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid C29H28N4O3 480.21614 NA MeJP NA NA +MJ071192 Staurosporine; 4'-N-Me C29H28N4O3 480.21614 NA MeJP NA NA +PJ002380 CCKK C18H36N6O5S2 480.2189 NA PeJP NA NA +MJ071193 8-Hydroxy-2,6-dimethyl-2-octenoic acid, 8-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C21H36O12 480.220676 NA MeJP NA NA +PJ002381 GLEY C22H32N4O8 480.222 NA PeJP NA NA +8021 synthetic peptide LWY 480.226 antibacterial Inhouse_peptide NA peptide +PJ002382 GNKY C21H32N6O7 480.2333 NA PeJP NA NA +HMDB10338 11-Oxo-androsterone glucuronide C25H36O9 480.235931 NA HMDB2010 NA NA +MJ071194 2,5-Epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide, 9-Angeloyl, 6-(3-methylbutanoyl) C25H36O9 480.235932 NA MeJP NA NA +MJ071195 2,5-Epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide, 6-Angeloyl, 9-(2-methylbutanoyl) C25H36O9 480.235932 NA MeJP NA NA +MJ071196 2,5-Epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide, 6-Angeloyl, 9-(2R-methylbutanoyl) C25H36O9 480.235932 NA MeJP NA NA +MJ071197 2,5-Epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide, 6-Angeloyl, 9-(3-methylbutanoyl) C25H36O9 480.235932 NA MeJP NA NA +MJ071198 2,6,9,10-Tetrahydroxy-5-oxo-11(13)-germacren-12,8-olide, 6-Angeloyl, 9-(2-methylbutanoyl) C25H36O9 480.235932 NA MeJP NA NA +MJ071199 3,8,9,10-Tetrahydroxy-1-oxo-11(13)-germacren-12,6-olide, 8-Angeloyl, 9-(2-methylbutanoyl) C25H36O9 480.235932 NA MeJP NA NA +MJ071200 7,20-Epoxy-6,7,11,17,19-pentahydroxy-15-kauranone, 17-Me ether, 11,19-di-Ac C25H36O9 480.235932 NA MeJP NA NA +MJ071201 Glaucarubol; 15-(2-Methylbutanoyl) C25H36O9 480.235932 NA MeJP NA NA +MJ071202 Luminacin; Luminacin C1 C25H36O9 480.235932 NA MeJP NA NA +MJ071203 Neosolaniol; 8-Hexanoyl C25H36O9 480.235932 NA MeJP NA NA +MJ071204 Toxin HT2; 4-Propanoyl C25H36O9 480.235932 NA MeJP NA NA +MJ071205 Valtrate; 11-De-Ac, 11-O-(3-hydroxy-3-methylbutanoyl) C25H36O9 480.235932 NA MeJP NA NA +PJ002383 LYW C26H32N4O5 480.2373 NA PeJP NA NA +2865 NA YPFVEPIP 480.2405 MH2+ Inhouse_peptide NA peptide +PJ002384 ALMF C23H36N4O5S 480.2407 NA PeJP NA NA +MJ071206 18,20-Epoxy-4,18-dihydroxy-1-oxowitha-2,5,24-trienolide, 4-Ketone, 18-Me ether C29H36O6 480.251188 NA MeJP NA NA +MJ071207 2,3-Dihydroxy-6-oxo-24-nor-1,3,5(10),7-friedelatetraene-23,29-dioic acid; 23-Aldehyde C29H36O6 480.251188 NA MeJP NA NA +MJ071208 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl C29H36O6 480.251188 NA MeJP NA NA +MJ071209 Decinnamoyljolkinol B; 20-Hydroxy, 15-cinnamoyl C29H36O6 480.251188 NA MeJP NA NA +MJ071210 Decinnamoyljolkinol B; 3-Benzoyl, 15-Ac C29H36O6 480.251188 NA MeJP NA NA +MJ071211 Mogoltin; 3'-O-Angeloyl C29H36O6 480.251188 NA MeJP NA NA +MJ071212 O-(3-Hydroxy-6,8(12)-drimadien-11-yl)umbelliferone, O-(3-hydroxy-3-methylbutanoyl) C29H36O6 480.251188 NA MeJP NA NA +MJ071213 Phototaxicin II; 5-Cinnamoyl(E-) C29H36O6 480.251188 NA MeJP NA NA +MJ071214 Tovophenone B C29H36O6 480.251188 NA MeJP NA NA +MJ071215 Tovophenone C C29H36O6 480.251188 NA MeJP NA NA +MJ071216 Vedelianin C29H36O6 480.251188 NA MeJP NA NA +MJ071217 3,7-Dimethyl-6-octen-1-ol, 1-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C22H40O11 480.257062 NA MeJP NA NA +MJ071218 3-Hydroxydecanoic acid, O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside] C22H40O11 480.257062 NA MeJP NA NA +PJ002385 SVLY C23H36N4O7 480.2584 NA PeJP NA NA +2616 synthetic peptide inhibitors of (PEP) IFPFVEPI 480.259 MH2+ Inhouse_peptide NA peptide +C09327 Alangicine C28H36N2O5 480.2624 NA KEGG NA NA +MJ071219 Alangicine C28H36N2O5 480.262422 NA MeJP NA NA +MJ071220 Clocapramine C28H37ClN4O 480.265589 NA MeJP NA NA +MJ071221 10(20),15-Grayanotoxadiene-3,5,6-triol, 3-O-?-D-Glucopyranoside C26H40O8 480.272318 NA MeJP NA NA +MJ071222 12-Hydroxy-15-beyeren-18-oic acid; 12?-form, 18-O-?-D-Glucopyranosyl ester C26H40O8 480.272318 NA MeJP NA NA +MJ071223 13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-?-D-Glucopyranoside C26H40O8 480.272318 NA MeJP NA NA +MJ071224 14,17-Epidioxy-?13(21)-salvileucolide; Me ester C26H40O8 480.272318 NA MeJP NA NA +MJ071225 15-Hydroxy-16-kauren-19-oic acid, ?-D-Allopyranosyl ester C26H40O8 480.272318 NA MeJP NA NA +MJ071226 15-Hydroxy-16-kauren-19-oic acid, ?-D-Glucopyranosyl ester C26H40O8 480.272318 NA MeJP NA NA +MJ071227 16-Kaurene-6,15,20-triol, 6-Ketone, 20-O-?-D-glucopyranoside C26H40O8 480.272318 NA MeJP NA NA +MJ071228 19-Hydroxy-8(17),13-labdadien-16,15-olide; ent-form, O-?-D-Glucopyranoside C26H40O8 480.272318 NA MeJP NA NA +MJ071229 2,19:4,18:11,16:15,16-Tetraepoxy-6,15,19-clerodanetriol, 15,19-Di-Et ether, 6-Ac C26H40O8 480.272318 NA MeJP NA NA +MJ071230 3(16)-Fusicoccene-4,8,9,14,18-pentol, 8,9,18-Tri-Ac C26H40O8 480.272318 NA MeJP NA NA +MJ071231 3,16-Dihydroxy-10(20)-leucothen-5-one, 16-O-?-D-Glucopyranoside C26H40O8 480.272318 NA MeJP NA NA +MJ071232 4,18:11,16:15,16-Triepoxy-6,15,19-clerodanetriol, 15-Et ether, 6,19-di-Ac C26H40O8 480.272318 NA MeJP NA NA +MJ071233 6,13-Epoxy-7-eunicellene-3,4,9,12-tetrol, 3,4,12-Tri-Ac C26H40O8 480.272318 NA MeJP NA NA +MJ071234 6,13-Epoxy-8(19)-eunicellene-3,4,9,12-tetrol, 3,4,12-Tri-Ac C26H40O8 480.272318 NA MeJP NA NA +MJ071235 6,13-Epoxy-8(19)-eunicellene-3,4,9,12-tetrol, 3,4,9-Tri-Ac C26H40O8 480.272318 NA MeJP NA NA +MJ071236 6,13-Epoxy-8-eunicellene-2,3,4,12-tetrol, 2,3,4-Tri-Ac C26H40O8 480.272318 NA MeJP NA NA +MJ071237 6,15-Dihydroxy-8(17),13-labdadien-19-oic acid, 19?6 Lactone, 15-O-?-D-glucopyranoside C26H40O8 480.272318 NA MeJP NA NA +MJ071238 7,15-Isopimaradiene-3,19-diol, 19-O-?-D-Altropyranosiduronic acid C26H40O8 480.272318 NA MeJP NA NA +MJ071239 8,13-Epoxy-14-labdene-1,6,7,11-tetrol, 1,6,11-Tri-Ac C26H40O8 480.272318 NA MeJP NA NA +MJ071240 9,13-Epoxy-4,8,12-trihydroxy-6-eunicellone, Tri-Ac C26H40O8 480.272318 NA MeJP NA NA +MJ071241 Salvileucolide; 14-hydroperoxy, Me ester C26H40O8 480.272318 NA MeJP NA NA +MJ071242 Salvileucolide; 13-hydroperoxy, Me ester C26H40O8 480.272318 NA MeJP NA NA +MJ071243 Soraphen R C26H40O8 480.272318 NA MeJP NA NA +MJ071244 Difenoxin; Butyl ester C32H36N2O2 480.277678 NA MeJP NA NA +MJ071245 Combimicin A2 C20H40N4O9 480.279528 NA MeJP NA NA +MJ071246 2,3-Dihydroxy-24-nor-6-oxo-1,3,5(10),7-friedelatetraen-29-oic acid; 3-Me ether C30H40O5 480.287574 NA MeJP NA NA +MJ071247 2,3-Dihydroxy-24-nor-6-oxo-1,3,5(10),7-friedelatetraen-29-oic acid; Me ester C30H40O5 480.287574 NA MeJP NA NA +MJ071248 3-Hydroxy-23-oxoeupha-7,24-dien-21,16-olid-28-oic acid, 28?3 Lactone C30H40O5 480.287574 NA MeJP NA NA +MJ071249 3-Hydroxy-24-nor-2,7-dioxo-1(10),3,5-friedelatrien-29-oic acid; Me ester C30H40O5 480.287574 NA MeJP NA NA +MJ071250 Celastrol; 15?-Hydroxy, Me ester C30H40O5 480.287574 NA MeJP NA NA +MJ071251 Celastrol; 21?-Hydroxy, Me ester C30H40O5 480.287574 NA MeJP NA NA +MJ071252 Celastrol; 30-Hydroxy, Me ester C30H40O5 480.287574 NA MeJP NA NA +MJ071253 Helisplendidilactone C30H40O5 480.287574 NA MeJP NA NA +MJ071254 Ingenol; 20-Deoxy, 3-(2E,4Z,6-decatrienoyl) C30H40O5 480.287574 NA MeJP NA NA +MJ071255 Ingenol; 20-Deoxy, 5-(2E,4Z,6-decatrienoyl) C30H40O5 480.287574 NA MeJP NA NA +MJ071256 Lancilactone A C30H40O5 480.287574 NA MeJP NA NA +MJ071257 Minabeolide 1; 18-Acetoxy C30H40O5 480.287574 NA MeJP NA NA +MJ071258 Schisanlactone C C30H40O5 480.287574 NA MeJP NA NA +MJ071259 Rauwolfia obscura Alkaloid D2 C31H36N4O 480.288911 NA MeJP NA NA +MJ071260 Usambarine; 10-Hydroxy, N4-Me C31H37N4O(+) 480.288911 NA MeJP NA NA +MJ071261 Usambarine; 11-Hydroxy, N4-Me C31H37N4O(+) 480.288911 NA MeJP NA NA +C09421 Emetine C29H40N2O4 480.2988 NA KEGG NA NA +MJ071262 Emetine C29H40N2O4 480.298807 NA MeJP NA NA +PJ002386 VLLH C23H40N6O5 480.306 NA PeJP NA NA +C02633 20-Hydroxyecdysone C27H44O7 480.3087 NA KEGG NA NA +C08811 Ajugasterone C C27H44O7 480.3087 NA KEGG NA NA +C08819 Inokosterone C27H44O7 480.3087 NA KEGG NA NA +C08820 Cholla gum C27H44O7 480.3087 NA KEGG NA NA +C08838 Pterosterone C27H44O7 480.3087 NA KEGG NA NA +C16499 26-Hydroxyecdysone C27H44O7 480.3087 NA KEGG NA NA +C16992 Callinecdysone A C27H44O7 480.3087 NA KEGG NA NA +MJ071263 2,3,11,14,22,25-Hexahydroxycholest-7-en-6-one C27H44O7 480.308703 NA MeJP NA NA +MJ071264 2,3,14,20,21,25-Hexahydroxycholest-7-en-6-one C27H44O7 480.308703 NA MeJP NA NA +MJ071265 2,3,14,20,22,24-Hexahydroxycholest-7-en-6-one C27H44O7 480.308703 NA MeJP NA NA +MJ071266 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one C27H44O7 480.308703 NA MeJP NA NA +MJ071267 2,3,14,20,22,26-Hexahydroxycholest-7-en-6-one C27H44O7 480.308703 NA MeJP NA NA +MJ071268 2,3,14,20,24,25-Hexahydroxycholest-7-en-6-one C27H44O7 480.308703 NA MeJP NA NA +MJ071269 2,3,14,22,24,25-Hexahydroxycholest-7-en-6-one C27H44O7 480.308703 NA MeJP NA NA +MJ071270 2,3,14,22,25,26-Hexahydroxycholest-7-en-6-one C27H44O7 480.308703 NA MeJP NA NA +MJ071271 Acutiphycin C27H44O7 480.308703 NA MeJP NA NA +MJ071272 Ajugasterone C C27H44O7 480.308703 NA MeJP NA NA +MJ071273 Cholesta-7,22-diene-2,3,5,6,9,11,19-heptol C27H44O7 480.308703 NA MeJP NA NA +MJ071274 Fuscoside A C27H44O7 480.308703 NA MeJP NA NA +MJ071275 Pregn-5-ene-3,12,14,20-tetrol, 3-O-?-D-Digitoxoside C27H44O7 480.308703 NA MeJP NA NA +MJ071276 Pregn-6-ene-3,17,20-triol, 3-O-Fucopyranoside C27H44O7 480.308703 NA MeJP NA NA +MJ071277 Spirostane-1,2,3,4,5-pentol C27H44O7 480.308703 NA MeJP NA NA +MJ071278 Xestobergsterol B C27H44O7 480.308703 NA MeJP NA NA +MetaCyc03679 20-hydroxyecdysone [] C27H44O7 480.308704 5289-74-7 metacyc NA NA +MJ071279 Terpeptin C28H40N4O3 480.310041 NA MeJP NA NA +MJ071280 Difficol; 6-Hydroxy C31H44O4 480.323959 NA MeJP NA NA +MJ071281 Papuaforin E C31H44O4 480.323959 NA MeJP NA NA +MJ071282 Borreverine C32H40N4 480.325297 NA MeJP NA NA +MJ071283 Isoborreverine C32H40N4 480.325297 NA MeJP NA NA +C09082 Borreverine C32H40N4 480.3253 NA KEGG NA NA +MJ071284 Ergost-5-en-3-ol, O-Sulfate C28H48O4S 480.32733 NA MeJP NA NA +MJ071285 11,15-Dihydroxy-9-(1-oxobutoxy)prosta-8,13-dien-1-oic acid, Butyl ester C28H48O6 480.345089 NA MeJP NA NA +MJ071286 Brassinolide C28H48O6 480.345089 NA MeJP NA NA +MJ071287 Ergost-22-ene-3,5,6,15,25,26-hexol C28H48O6 480.345089 NA MeJP NA NA +MJ071288 Ergost-24(28)-ene-3,6,8,15,16,26-hexol C28H48O6 480.345089 NA MeJP NA NA +MJ071289 Tetrahydroxysterocholanic acid C28H48O6 480.345089 NA MeJP NA NA +MetaCyc03680 brassinolide [] C28H48O6 480.345089 NA metacyc NA NA +C08814 Brassinolide C28H48O6 480.3451 NA KEGG NA NA +C08815 Agar C28H48O6 480.3451 NA KEGG NA NA +C11049 24-epi-Brassinolide C28H48O6 480.3451 NA KEGG NA NA +MJ071290 Demethylcacalohastine; 3,4-Didehydro, 14-hexadecyloxy, 9-Me ether C32H48O3 480.360345 NA MeJP NA NA +MJ071291 3,20-Diaminopregnan-4-ol, N3,N20,N20-Tri-Me, O4-benzoyl C31H48N2O2 480.371578 NA MeJP NA NA +MJ071292 Plakinamine A; 3-Epimer, 4?-hydroxy, N3-Ac C31H48N2O2 480.371578 NA MeJP NA NA +MJ071293 Crambescin B C25H48N6O3 480.378789 NA MeJP NA NA +MJ071294 Crambescin C1 C25H48N6O3 480.378789 NA MeJP NA NA +MJ071295 23-Methylene-12-ursen-3-ol, Ac C33H52O2 480.39673 NA MeJP NA NA +MJ071296 Saraine 3 C32H52N2O 480.407964 NA MeJP NA NA +MJ071297 Budmunchiamine C; 9'-Oxo, N-de-Me C28H56N4O2 480.440327 NA MeJP NA NA +MJ071298 18-Hydroxy-7,16-hentriacontanedione C31H60O3 480.454245 NA MeJP NA NA +MJ071299 25-Hydroxy-14,16-hentriacontanedione C31H60O3 480.454245 NA MeJP NA NA +MJ071300 26-Hydroxy-14,16-hentriacontanedione C31H60O3 480.454245 NA MeJP NA NA +MJ071301 5-Hydroxy-14,16-hentriacontanedione C31H60O3 480.454245 NA MeJP NA NA +MJ071302 8-Hydroxy-14,16-hentriacontanedione C31H60O3 480.454245 NA MeJP NA NA +MJ071303 Budmunchiamine C C29H60N4O 480.476712 NA MeJP NA NA +MJ071304 Budmunchiamine L1 C29H60N4O 480.476712 NA MeJP NA NA +C13821 1-Hexadecyl hexadecanoate C32H64O2 480.4906 NA KEGG NA NA +MJ071305 2,4,6,8-Tetramethyloctacosanoic acid C32H64O2 480.490631 NA MeJP NA NA +MJ071306 25-Hydroxy-3-dotriacontanone C32H64O2 480.490631 NA MeJP NA NA +MJ071307 25-Hydroxy-6-dotriacontanone C32H64O2 480.490631 NA MeJP NA NA +MJ071308 30-Hydroxy-5-dotriacontanone C32H64O2 480.490631 NA MeJP NA NA +MJ071309 32-Hydroxy-4-dotriacontanone C32H64O2 480.490631 NA MeJP NA NA +MJ071310 5-Hydroxy-9-dotriacontanone C32H64O2 480.490631 NA MeJP NA NA +MJ071311 5-Triacontanol; Ac C32H64O2 480.490631 NA MeJP NA NA +MJ071312 7-Hydroxy-2-dotriacontanone C32H64O2 480.490631 NA MeJP NA NA +MJ071313 Anaphalisqualenol C32H64O2 480.490631 NA MeJP NA NA +MJ071314 Dotriacontanoic acid C32H64O2 480.490631 NA MeJP NA NA +MJ071315 Hexadecyl hexadecanoate C32H64O2 480.490631 NA MeJP NA NA +MJ071316 1-Methoxy-2,28-dimethyltriacontane C33H68O 480.527016 NA MeJP NA NA +MJ071317 1-Methoxy-28-methylhentriacontane C33H68O 480.527016 NA MeJP NA NA +MJ071318 1-Tritriacontanol C33H68O 480.527016 NA MeJP NA NA +MJ071319 10-Tritriacontanol C33H68O 480.527016 NA MeJP NA NA +MJ071320 11-Tritriacontanol C33H68O 480.527016 NA MeJP NA NA +MJ071321 12-Tritriacontanol C33H68O 480.527016 NA MeJP NA NA +MJ071322 13-Tritriacontanol C33H68O 480.527016 NA MeJP NA NA +MJ071323 14-Tritriacontanol C33H68O 480.527016 NA MeJP NA NA +MJ071324 6-Tritriacontanol C33H68O 480.527016 NA MeJP NA NA +MJ071325 8-Methyl-7-dotriacontanol C33H68O 480.527016 NA MeJP NA NA +3109 adrenocorticotropin hormone fr,: 4-10 MEHFRWG 480.7047 MH2+ Inhouse_peptide NA peptide +3718 NA PNGLHTRPA 480.74745 MH2+ Inhouse_peptide NA peptide +MJ071326 Botryllamide A C19H17Br2NO4 480.952433 NA MeJP NA NA +C13072 Sodium picosulfate C18H13NO8S2 480.9878 NA KEGG NA NA +C13073 Transferred to D01613 C18H13NO8S2 480.9878 NA KEGG NA NA +C13074 Acetylkitasamycin C41H64NO16R 480.9878 NA KEGG NA NA +C13075 Transferred to D01615 C41H64NO16R 480.9878 NA KEGG NA NA +C13076 Transferred to D01616 C41H64NO16R 480.9878 NA KEGG NA NA +MetaCyc03681 5-methyl-dCTP [5-methyldeoxycytidine triphosphate;5-methyl-2'-deoxycytidine-5'-triphosphate;5-methyl deoxycytidine-5'-triphosphate;cytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-methyl-;[[[5-[(4-amino-5-methyl-2-oxo-1H-pyrimidin-1-yl)]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinoyl]oxy-hydroxy-phosphinoyl]oxyphosphonic acid;] C10H18N3O13P3 481.005247 NA metacyc NA NA +MJ071327 7-[2-(2-Amino-4-thiazolyl)-2-hydroxyiminoacetamido]-8-oxo-3-(1H-pyrazol-4-yl)methylthio-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid C16H15N7O5S3 481.029678 NA MeJP NA NA +C15630 T 0901317 C17H12F9NO3S 481.0394 NA KEGG NA NA +MJ071328 2-Hydroxy-1-methylethyl glucosinolate; Benzoyl C17H23NO11S2 481.071251 NA MeJP NA NA +MJ071329 3-Hydroxypropyl glucosinolate; Benzoyl C17H23NO11S2 481.071251 NA MeJP NA NA +MetaCyc03682 3-benzoyloxypropyl-glucosinolate [glucomalcommin;] C17H23N1O11S2 481.071252 NA metacyc NA NA +MJ071330 3-Hydroxy-6-(methylthio)hexyl glucosinolate; S-Oxide C14H27NO11S3 481.074622 NA MeJP NA NA +MJ071331 6-(Methylthio)hexyl glucosinolate; S,S-Dioxide C14H27NO11S3 481.074622 NA MeJP NA NA +FL7AEGGL0003 6-Hydroxydelphinidin 3-glucoside C21H21O13 481.09821 478693-91-3 knapsack NA NA +MJ071332 N-[[5-[2-(2-Amino-4,6,7,8-tetrahydro-4-oxo-1H-pyrimido[5,4-b][1,4]thiazin-6-yl)ethyl]-4-methyl-2-thienyl]carbonyl]glutamic acid C19H23N5O6S2 481.108974 NA MeJP NA NA +PJ002387 GPCCC C16H27N5O6S3 481.1124 NA PeJP NA NA +MJ071333 Yersiniabactin C21H27N3O4S3 481.116368 NA MeJP NA NA +C12038 Yersiniabactin C21H27N3O4S3 481.1164 NA KEGG NA NA +MJ071334 Enloplatin C13H22N2O5Pt 481.117646 NA MeJP NA NA +PJ002388 CNDM C16H27N5O8S2 481.1301 NA PeJP NA NA +MJ071335 Talampicillin C24H23N3O6S 481.130756 NA MeJP NA NA +C11751 Talampicillin C24H23N3O6S 481.1308 NA KEGG NA NA +MJ071336 Nikkomycin Kx; 5''-Hydroxy C19H23N5O10 481.144491 NA MeJP NA NA +MJ071337 Nikkomycin Kz; 5''-Hydroxy C19H23N5O10 481.144491 NA MeJP NA NA +PJ002389 ACCW C20H27N5O5S2 481.1454 NA PeJP NA NA +PJ002390 GSSCE C16H27N5O10S 481.1479 NA PeJP NA NA +PJ002391 SSCW C20H27N5O7S 481.1631 NA PeJP NA NA +PJ002392 SSSSD C16H27N5O12 481.1656 NA PeJP NA NA +PJ002393 SNMM C17H31N5O7S2 481.1665 NA PeJP NA NA +MJ071338 Carbidium(1+); Ethanesulfonate C25H27N3O5S 481.167141 NA MeJP NA NA +MJ071339 Rosuvastatin C22H28FN3O6S 481.168284 NA MeJP NA NA +MJ071340 Akrobomycin C26H27NO8 481.173666 NA MeJP NA NA +MJ071341 Pranlukast C27H23N5O4 481.175004 NA MeJP NA NA +PJ002394 TCCR C16H31N7O6S2 481.1777 NA PeJP NA NA +PJ002395 GNEY C20H27N5O9 481.1809 NA PeJP NA NA +3089 gluten B4 exorphin YGGW 481.184 celiac toxic Inhouse_peptide NA peptide +7930 synthetic peptide HYY 481.184 antioxidative Inhouse_peptide NA peptide +7933 synthetic peptide YHY 481.184 antioxidative Inhouse_peptide NA peptide +7936 synthetic peptide YYH 481.184 antioxidative Inhouse_peptide NA peptide +PJ002396 GSSTM C17H31N5O9S 481.1843 NA PeJP NA NA +MJ071342 Lahadinine A C25H27N3O7 481.1849 NA MeJP NA NA +MJ071343 Picrasidine T C28H25N4O4 481.18758 NA MeJP NA NA +PJ002397 PNDH C19H27N7O8 481.1921 NA PeJP NA NA +PJ002398 NYW C24H27N5O6 481.1961 NA PeJP NA NA +PJ002399 GGYW C24H27N5O6 481.1962 NA PeJP NA NA +PJ002400 GQMF C21H31N5O6S 481.1995 NA PeJP NA NA +PJ002401 SSSTT C17H31N5O11 481.202 NA PeJP NA NA +PJ002402 TCKM C18H35N5O6S2 481.2029 NA PeJP NA NA +MJ071344 4-[3-[4-[Bis(4-fluorophenyl)hydroxymethyl]-1-piperidinyl]propoxy]benzoic acid C28H29F2NO4 481.206464 NA MeJP NA NA +MJ071345 8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(3,4,5-Trimethoxycinnamoyl), 6-O-benzoyl C27H31NO7 481.210052 NA MeJP NA NA +PJ002403 GCFR C20H31N7O5S 481.2108 NA PeJP NA NA +PJ002404 GDKY C21H31N5O8 481.2173 NA PeJP NA NA +MJ071346 Distamycin A C22H27N9O4 481.2186 NA MeJP NA NA +PJ002405 GSRY C20H31N7O7 481.2285 NA PeJP NA NA +PJ002406 GKMF C22H35N5O5S 481.2359 NA PeJP NA NA +MJ071347 4-(Diphenylacetyl)-?-[(5-quinolinyloxy)methyl]-1-piperazineethanol C30H31N3O3 481.236541 NA MeJP NA NA +MJ071348 Cytochalasin C; 19,20-Epoxide, O-de-Ac C28H35NO6 481.246437 NA MeJP NA NA +MJ071349 Cytochalasin Q; 19?,20?-Epoxide, O-de-Ac C28H35NO6 481.246437 NA MeJP NA NA +MJ071350 Decinnamoyljolkinol B; 3-(3-Pyridinecarbonyl), 15-Ac C28H35NO6 481.246437 NA MeJP NA NA +MJ071351 Engleromycin C28H35NO6 481.246437 NA MeJP NA NA +MJ071352 Lasubine I; 9a-Epimer, O-(3,4-dimethoxycinnamoyl) C28H35NO6 481.246437 NA MeJP NA NA +MJ071353 Lasubine I; O-(3,4-Dimethoxycinnamoyl) C28H35NO6 481.246437 NA MeJP NA NA +MJ071354 Trideacetylpyripyropene A; 7,19-Dideoxy, 3-propanoyl C28H35NO6 481.246437 NA MeJP NA NA +EUR155 N-acetylleukotriene E4 C25H39NO6S 481.2498 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR155 N-acetylleukotriene E4 C25H39NO6S 481.2498 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR155 N-acetylleukotriene E4 C25H39NO6S 481.2498 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR155 N-acetylleukotriene E4 C25H39NO6S 481.2498 Wishlist Inhousejuil11 NA NA +C11361 N-Acetylleukotriene E4 C25H39NO6S 481.2498 NA KEGG NA NA +EUR155 N-acetylleukotriene E4 C25H39NO6S 481.249811 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR155 N-acetylleukotriene E4 C25H39NO6S 481.249811 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR155 N-acetylleukotriene E4 C25H39NO6S 481.249811 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR155 N-acetylleukotriene E4 C25H39NO6S 481.249811 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR155 N-acetylleukotriene E4 C25H39NO6S 481.249811 Wishlist HMDB NA NA +EUR155 N-acetylleukotriene E4 C25H39NO6S 481.249811 Wishlist Inhouse_PFEM NA NA +EUR155 N-acetylleukotriene E4 C25H39NO6S 481.249811 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR155 N-acetylleukotriene E4 C25H39NO6S 481.249811 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB05084 N-Acetyl-leukotriene E4 C25H39NO6S 481.249817 NA HMDB2010 NA NA +PJ002407 ATKY C22H35N5O7 481.2537 NA PeJP NA NA +MJ071355 Malyngamide F; O-Ac C26H40ClNO5 481.259501 NA MeJP NA NA +PJ002408 PTKH C21H35N7O6 481.2649 NA PeJP NA NA +MJ071356 Antibiotic JI 20A C19H39N5O9 481.274777 NA MeJP NA NA +C17704 Antibiotic JI-20A C19H39N5O9 481.2748 NA KEGG NA NA +PJ002409 GLHR C20H35N9O5 481.2761 NA PeJP NA NA +MJ071357 7,18,19-Trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(12),13-diene-1,21-dione; 19-Me ether C29H39NO5 481.282823 NA MeJP NA NA +MJ071358 Aconosine; 14-Benzoyl C29H39NO5 481.282823 NA MeJP NA NA +MJ071359 Norzoanthamine C29H39NO5 481.282823 NA MeJP NA NA +MJ071360 Stawamycin C29H39NO5 481.282823 NA MeJP NA NA +3818 ileum contracting peptide PLPR 481.289 ACE inhibitor Inhouse_peptide NA peptide +PJ002410 GPPVL C23H39N5O6 481.2901 NA PeJP NA NA +PJ002411 PPLR C22H39N7O5 481.3013 NA PeJP NA NA +MJ071361 Delphatine C26H43NO7 481.303952 NA MeJP NA NA +MJ071362 Deltatsine; O1-Me C26H43NO7 481.303952 NA MeJP NA NA +MJ071363 Deltatsine; O14-Me C26H43NO7 481.303952 NA MeJP NA NA +MJ071364 Deltatsine; O7-Me C26H43NO7 481.303952 NA MeJP NA NA +EUR596 Lyso PE(18:0) NA 481.316825 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR596 Lyso PE(18:0) [M-H]- 481.316825 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR596 Lyso PE(18:0) NA 481.316825 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR596 Lyso PE(18:0) [M-H]- 481.316825 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR596 Lyso PE(18:0) NA 481.316825 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR596 Lyso PE(18:0) [M-H]- 481.316825 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR596 Lyso PE(18:0) NA 481.316825 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR596 Lyso PE(18:0) NA 481.316825 identifiés dans sérum NuGO HMDB NA NA +EUR596 Lyso PE(18:0) NA 481.316825 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR596 Lyso PE(18:0) [M-H]- 481.316825 identifies dans serum NuGO Inhousejuil11 NA NA +EUR596 Lyso PE(18:0) NA 481.316825 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR596 Lyso PE(18:0) NA 481.316825 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +HMDB10381 LysoPC(15:0) C23H48NO7P 481.316833 NA HMDB2010 NA NA +HMDB11129 LysoPE(0:0/18:0) C23H48NO7P 481.316833 NA HMDB2010 NA NA +HMDB11130 LysoPE(18:0/0:0) C23H48NO7P 481.316833 NA HMDB2010 NA NA +EUR656 Lyso PC 16:0 [M-H-CH3]- C24H50NO7P 481.316842 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR699 Lyso PE (18:0) monoisotopic mass C23H48NO7P 481.316842 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR734 Lyso PC 15:0 monoisotopic mass C23H48NO7P 481.316842 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR834 Lyso PE 18:0 monoisotopic mass C23H48NO7P 481.316842 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR656 Lyso PC 16:0 [M-H-CH3]- C24H50NO7P 481.316842 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR699 Lyso PE (18:0) monoisotopic mass C23H48NO7P 481.316842 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR734 Lyso PC 15:0 monoisotopic mass C23H48NO7P 481.316842 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR834 Lyso PE 18:0 monoisotopic mass C23H48NO7P 481.316842 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR656 Lyso PC 16:0 [M-H-CH3]- C24H50NO7P 481.316842 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR699 Lyso PE (18:0) monoisotopic mass C23H48NO7P 481.316842 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR734 Lyso PC 15:0 monoisotopic mass C23H48NO7P 481.316842 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR834 Lyso PE 18:0 monoisotopic mass C23H48NO7P 481.316842 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR656 Lyso PC 16:0 [M-H-CH3]- C24H50NO7P 481.316842 masses lipides attendues Inhousejuil11 NA NA +EUR699 Lyso PE (18:0) monoisotopic mass C23H48NO7P 481.316842 masses lipides attendues Inhousejuil11 NA NA +EUR734 Lyso PC 15:0 monoisotopic mass C23H48NO7P 481.316842 masses lipides attendues Inhousejuil11 NA NA +EUR834 Lyso PE 18:0 monoisotopic mass C23H48NO7P 481.316842 masses lipides attendues Inhousejuil11 NA NA +EUR595 Lyso PE(18:0) NA 481.316875 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR595 Lyso PE(18:0) [M-H]+ 481.316875 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR595 Lyso PE(18:0) NA 481.316875 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR595 Lyso PE(18:0) [M-H]+ 481.316875 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR595 Lyso PE(18:0) NA 481.316875 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR595 Lyso PE(18:0) [M-H]+ 481.316875 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR595 Lyso PE(18:0) NA 481.316875 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR595 Lyso PE(18:0) NA 481.316875 identifiés dans sérum NuGO HMDB NA NA +EUR595 Lyso PE(18:0) NA 481.316875 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR595 Lyso PE(18:0) [M-H]+ 481.316875 identifies dans serum NuGO Inhousejuil11 NA NA +EUR595 Lyso PE(18:0) NA 481.316875 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR595 Lyso PE(18:0) NA 481.316875 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR531 18 :0 Lyso PE F1 NA 481.317525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR531 18 :0 Lyso PE F1 NA 481.317525 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR531 18 :0 Lyso PE F1 NA 481.317525 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR531 18 :0 Lyso PE F1 NA 481.317525 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR531 18 :0 Lyso PE F1 NA 481.317525 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR531 18 :0 Lyso PE F1 NA 481.317525 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR531 18 :0 Lyso PE F1 NA 481.317525 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR531 18 :0 Lyso PE F1 NA 481.317525 standards wishlist analysés sur QTOF HMDB NA NA +EUR531 18 :0 Lyso PE F1 NA 481.317525 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR531 18 :0 Lyso PE F1 NA 481.317525 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR531 18 :0 Lyso PE F1 NA 481.317525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR531 18 :0 Lyso PE F1 NA 481.317525 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ071365 Sevopramide C29H43N3O3 481.330442 NA MeJP NA NA +MJ071366 Amphiasterin C1; 4'',5''-Dihydro C27H47NO6 481.340338 NA MeJP NA NA +LABER079 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 NA PFEM_hmdb_metabocards_urine NA urine +LABER092 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 RT 30.09 PFEM_hmdb_metabocards_urine NA urine +LABER079 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER092 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 RT 30.09 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER079 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER092 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 RT 30.09 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER079 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER092 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 RT 30.09 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER079 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 NA HMDB NA NA +LABER092 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 RT 30.09 HMDB NA NA +LABER079 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 NA Inhouse_PFEM NA NA +LABER092 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 RT 30.09 Inhouse_PFEM NA NA +LABER079 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 NA Inhousejuil11 NA NA +LABER092 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 RT 30.09 Inhousejuil11 NA NA +LABER079 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 NA PFEM_hmdb_metabocards_blood NA blood +LABER092 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 RT 30.09 PFEM_hmdb_metabocards_blood NA blood +LABER079 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 NA PFEM_hmdb_metabocards_official NA NA +LABER092 Palmityl-rac-glycero-3-phosphocholine NA 481.351985 RT 30.09 PFEM_hmdb_metabocards_official NA NA +C13903 1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine C24H52NO6P 481.3532 NA KEGG NA NA +C13904 Transferred to D02157 C24H52NO6P 481.3532 NA KEGG NA NA +C13905 Transferred to D02158 C24H52NO6P 481.3532 NA KEGG NA NA +MJ071367 Rhodopeptin; Rhodopeptin C1 C25H47N5O4 481.362805 NA MeJP NA NA +HMDB04947 Ceramide (d18:1/12:0) C30H59NO3 481.44949 http://www.hmdb.ca/metabolites/HMDB04947 HMDB NA NA +HMDB04947 Ceramide (d18:1/12:0) C30H59NO3 481.44949 HMDB04947 PFEM_hmdb_metabocards_official NA NA +HMDB04947 Ceramide (d18:1/12:0) C30H59NO3 481.449493 NA HMDB2010 NA NA +C18204 2,2',4,5'-Tetrabromodiphenyl ether C12H6Br4O 481.7152 NA KEGG NA NA +C18205 2,2',4,4'-Tetrabromodiphenyl ether C12H6Br4O 481.7152 NA KEGG NA NA +MJ071368 Vidalol A C13H9Br3O5 481.800011 NA MeJP NA NA +MJ071369 Ambigol A C18H8Cl6O3 481.86046 NA MeJP NA NA +MJ071370 Ambigol B C18H8Cl6O3 481.86046 NA MeJP NA NA +HMDB01342 Thymidine 5'-triphosphate C10H17N2O14P3 481.989258 NA HMDB2010 NA NA +HMDB01342 Thymidine 5'-triphosphate C10H17N2O14P3 481.98926 http://www.hmdb.ca/metabolites/HMDB01342 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01342 Thymidine 5'-triphosphate C10H17N2O14P3 481.98926 http://www.hmdb.ca/metabolites/HMDB01342 HMDB NA NA +HMDB01342 Thymidine 5'-triphosphate C10H17N2O14P3 481.98926 http://www.hmdb.ca/metabolites/HMDB01342 PFEM_hmdb_metabocards_blood NA blood +HMDB01342 Thymidine 5'-triphosphate C10H17N2O14P3 481.98926 HMDB01342 PFEM_hmdb_metabocards_official NA NA +MJ071371 dTTP C10H17N2O14P3 481.989262 NA MeJP NA NA +MetaCyc03683 dTTP [thymidine triphosphate;thymidine 5'-triphosphate;TTP;] C10H17N2O14P3 481.989263 365-08-2 metacyc NA NA +C00459 dTTP C10H17N2O14P3 481.9893 NA KEGG NA NA +MJ071372 Lentinic acid C12H22N2O10S4 482.015727 NA MeJP NA NA +MJ071373 Triumbellatin C27H14O9 482.063782 NA MeJP NA NA +MJ071374 2,3-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form C20H18O14 482.069655 NA MeJP NA NA +MJ071375 4,6-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form C20H18O14 482.069655 NA MeJP NA NA +MJ071376 Falconensin A C23H24Cl2O7 482.089908 NA MeJP NA NA +MJ071377 2',4',6'-Trihydroxyacetophenone; 2'-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C21H22O13 482.10604 NA MeJP NA NA +MJ071378 2',4',6'-Trihydroxyacetophenone; 4'-O-[3,4,5-Trihydroxybenzoyl-(?3)-?-D-glucopyranoside] C21H22O13 482.10604 NA MeJP NA NA +MJ071379 3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 2''-O-(3,4,5-Trihydroxybenzoyl) C21H22O13 482.10604 NA MeJP NA NA +MJ071380 3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 6''-O-(3,4,5-Trihydroxybenzoyl) C21H22O13 482.10604 NA MeJP NA NA +MJ071381 3,3',4',5,5',7-Hexahydroxyflavanone, 3'-O-?-D-Glucopyranoside C21H22O13 482.10604 NA MeJP NA NA +MJ071382 3,3',4',5,5',7-Hexahydroxyflavanone, 4'-O-?-D-Glucopyranoside C21H22O13 482.10604 NA MeJP NA NA +MJ071383 3,3',4',5,5',7-Hexahydroxyflavanone, 7-O-?-D-Glucopyranoside C21H22O13 482.10604 NA MeJP NA NA +MJ071384 ?,2',3,3',4,4',6-Heptahydroxychalcone; 2'-O-?-D-Glucopyranoside C21H22O13 482.10604 NA MeJP NA NA +FL1CHXGS0001 3,4,2',3',4',6',alpha-Heptahydroxychalcone 2'-glucoside C21H22O13 482.10604 - knapsack NA NA +FL4DAGGS0002 Ampelopsin 7-glucoside C21H22O13 482.10604 87314-54-3 knapsack NA NA +FL4DAGGS0003 Ampelopsin 3'-glucoside C21H22O13 482.10604 82181-87-1 knapsack NA NA +PJ002412 CDDM C16H26N4O9S2 482.1141 NA PeJP NA NA +FL4DACNN0001 Silybin C25H22O10 482.12129 22888-70-6 knapsack NA NA +FL4DACNN0002 Silychristin C25H22O10 482.12129 33889-69-9 knapsack NA NA +FL4DACNN0003 Isosilybin C25H22O10 482.12129 72581-71-6 knapsack NA NA +FL4DACNN0004 Isosilychristin C25H22O10 482.12129 77182-66-2 knapsack NA NA +FL4DQUNN0001 Silydianin C25H22O10 482.12129 29782-68-1 knapsack NA NA +MJ071385 Cadensin A; 10-Hydroxy, 4'-O-de-Me, 3',8-di-Me ether C25H22O10 482.121296 NA MeJP NA NA +MJ071386 Cadensin A; 5'-Methoxy, 4'-O-de-Me, 3'-Me ether C25H22O10 482.121296 NA MeJP NA NA +MJ071387 Cadensin A; 6'-Methoxy C25H22O10 482.121296 NA MeJP NA NA +MJ071388 Gyrophoric acid; 2''-Me ether C25H22O10 482.121296 NA MeJP NA NA +MJ071389 Gyrophoric acid; 2'-Me ether C25H22O10 482.121296 NA MeJP NA NA +MJ071390 Gyrophoric acid; 2-Me ether C25H22O10 482.121296 NA MeJP NA NA +MJ071391 Gyrophoric acid; 4-Me ether C25H22O10 482.121296 NA MeJP NA NA +MJ071392 Gyrophoric acid; Me ester C25H22O10 482.121296 NA MeJP NA NA +MJ071393 Isosilybin C25H22O10 482.121296 NA MeJP NA NA +MJ071394 Isosilychristin C25H22O10 482.121296 NA MeJP NA NA +MJ071395 Silybin C25H22O10 482.121296 NA MeJP NA NA +MJ071396 Silychristin C25H22O10 482.121296 NA MeJP NA NA +C07610 Silymarin C25H22O10 482.1213 NA KEGG NA NA +C08717 Silychristin C25H22O10 482.1213 NA KEGG NA NA +C16808 Isosilybin C25H22O10 482.1213 NA KEGG NA NA +PJ002413 GSCCN C15H26N6O8S2 482.1254 NA PeJP NA NA +MJ071397 Kinamycin F; 4-O-(2-Methylpropanoyl), 2-Ac C24H22N2O9 482.13253 NA MeJP NA NA +C09775 Catalposide C22H26O12 482.1424 NA KEGG NA NA +MJ071398 3,3',4',5,5',7-Hexahydroxyflavan, 4'-Me ether, 5-O-?-D-glucopyranoside C22H26O12 482.142426 NA MeJP NA NA +MJ071399 3,3',4',5,5',7-Hexahydroxyflavan, 4'-Me ether, 3'-O-?-D-glucopyranoside C22H26O12 482.142426 NA MeJP NA NA +MJ071400 3,3',4,4',5,7-Hexahydroxyflavan, 4'-Me ether, 3-O-?-D-galactopyranoside C22H26O12 482.142426 NA MeJP NA NA +MJ071401 Catalpol; 6-O-(4-Hydroxybenzoyl) C22H26O12 482.142426 NA MeJP NA NA +MJ071402 Obtusaside C22H26O12 482.142426 NA MeJP NA NA +PJ002414 SDMM C17H30N4O8S2 482.1505 NA PeJP NA NA +MJ071403 Dukunolide A C26H26O9 482.157682 NA MeJP NA NA +MJ071404 Gilvocarcin M C26H26O9 482.157682 NA MeJP NA NA +MJ071405 Antibiotic TAN 1030A; 7?-Hydroxy C27H22N4O5 482.159019 NA MeJP NA NA +MJ071406 Staurosporine; 4'-De(methylamino), 4'?-nitro C27H22N4O5 482.159019 NA MeJP NA NA +C14129 SSR 125543 C27H28ClFN2OS 482.1595 NA KEGG NA NA +PJ002415 GDEY C20H26N4O10 482.1649 NA PeJP NA NA +MJ071407 15-Bromo-9(11)-parguerene-2,7,16-triol, 2,16-Di-Ac C24H35BrO5 482.166786 NA MeJP NA NA +MJ071408 15-Bromo-9(11)-parguerene-2,7,16-triol, 2,7-Di-Ac C24H35BrO5 482.166786 NA MeJP NA NA +PJ002416 AMMM C18H34N4O5S3 482.1692 NA PeJP NA NA +PJ002417 SCHH C18H26N8O6S 482.1696 NA PeJP NA NA +MJ071409 6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 2,9-Di-Ac C24H31ClO8 482.170745 NA MeJP NA NA +MJ071410 6-Chloro-4,8-epoxy-2,9,14-trihydroxy-5(16),11-briaradien-18,7-olide; 2,14-Di-Ac C24H31ClO8 482.170745 NA MeJP NA NA +MJ071411 7-Protoilludene-1,5,6,9,14-pentol, 14-(3-Chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) C24H31ClO8 482.170745 NA MeJP NA NA +MJ071412 7-Protoilludene-1,5,6,9,14-pentol, 5-(3-Chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) C24H31ClO8 482.170745 NA MeJP NA NA +MJ071413 Blestrianol A C30H26O6 482.172938 NA MeJP NA NA +MJ071414 Blestriarene C; 9,9',10,10'-Tetrahydro C30H26O6 482.172938 NA MeJP NA NA +MJ071415 Blestrin A C30H26O6 482.172938 NA MeJP NA NA +MJ071416 Blestrin B C30H26O6 482.172938 NA MeJP NA NA +MJ071417 Dichamanetin, 5-Me ether C30H26O6 482.172938 NA MeJP NA NA +MJ071418 Palodesangrens; Palodesangren C C30H26O6 482.172938 NA MeJP NA NA +MJ071419 Palodesangrens; Palodesangren D C30H26O6 482.172938 NA MeJP NA NA +PJ002418 PDDH C19H26N6O9 482.1762 NA PeJP NA NA +MJ071420 1,2-Bis(4-hydroxy-3-methoxyphenyl)-1,3-propanediol, 1-O-?-D-Glucopyranoside C23H30O11 482.178811 NA MeJP NA NA +MJ071421 1,4-Naphthalenediol; Mono-Me ether, O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C23H30O11 482.178811 NA MeJP NA NA +MJ071422 1-(2,3,4-Trihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',4,5'-Tri-Me ether, 2-O-?-D-glucopyranoside C23H30O11 482.178811 NA MeJP NA NA +MJ071423 Ajugol; 6-O-(4-Methoxybenzoyl) C23H30O11 482.178811 NA MeJP NA NA +MJ071424 Urceolatoside D C23H30O11 482.178811 NA MeJP NA NA +PJ002419 DYW C24H26N4O7 482.1802 NA PeJP NA NA +PJ002420 PTCY C21H30N4O7S 482.1835 NA PeJP NA NA +PJ002421 TTMM C18H34N4O7S2 482.1869 NA PeJP NA NA +C12666 Prednisolone sodium succinate C25H31O8 482.1917 NA KEGG NA NA +MJ071425 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2R,3S-Epoxy-2-methylbutanoyl), 3-benzoyl C27H30O8 482.194067 NA MeJP NA NA +MJ071426 Abyssinin C27H30O8 482.194067 NA MeJP NA NA +MJ071427 Daphnetoxin C27H30O8 482.194067 NA MeJP NA NA +MJ071428 Deacylinteriorin; 7-Angeloyl C27H30O8 482.194067 NA MeJP NA NA +MJ071429 Gomisin R; Angeloyl C27H30O8 482.194067 NA MeJP NA NA +MJ071430 Heteroclitin E; 10-Deoxy C27H30O8 482.194067 NA MeJP NA NA +MJ071431 Oriciopsin; 5,6-Didehydro C27H30O8 482.194067 NA MeJP NA NA +MJ071432 Steganolide B C27H30O8 482.194067 NA MeJP NA NA +C09080 Daphnetoxin C27H30O8 482.1941 NA KEGG NA NA +MJ071433 Staurosporine; 11-Hydroxy C28H26N4O4 482.195405 NA MeJP NA NA +MJ071434 Staurosporine; 4'-N-Hydroxy C28H26N4O4 482.195405 NA MeJP NA NA +MJ071435 Staurosporine; 5'?-Hydroxy C28H26N4O4 482.195405 NA MeJP NA NA +MJ071436 Staurosporine; 7-Hydroxy C28H26N4O4 482.195405 NA MeJP NA NA +MJ071437 3,11,14-Trihydroxybufa-20,22-dienolide, 3-Sulfate C24H34O8S 482.197438 NA MeJP NA NA +PJ002422 MFW C25H30N4O4S 482.1988 NA PeJP NA NA +MJ071438 Marounoside C20H34O13 482.199941 NA MeJP NA NA +PJ002423 ATEY C21H30N4O9 482.2013 NA PeJP NA NA +MJ071439 Routiennocin C26H30N2O7 482.205301 NA MeJP NA NA +PJ002424 PTEH C20H30N6O8 482.2125 NA PeJP NA NA +MJ071440 1-[4-[2-Hydroxy-1-(hydroxymethyl)ethoxy]-3-methoxyphenyl]-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol; 3'-Methoxy C24H34O10 482.215197 NA MeJP NA NA +MJ071441 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[8-Hydroxy-2,6-dimethyl-2E,6E-octadienoyl-(?6)-?-D-glucopyranoside] C24H34O10 482.215197 NA MeJP NA NA +MJ071442 8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 3,14-Di-Ac C24H34O10 482.215197 NA MeJP NA NA +MJ071443 T2 Toxin; 3'-Hydroxy C24H34O10 482.215197 NA MeJP NA NA +PJ002425 GPFY C25H30N4O6 482.2166 NA PeJP NA NA +PJ002426 GLMY C22H34N4O6S 482.2199 NA PeJP NA NA +MJ071444 Melicobisquinolinone A C30H30N2O4 482.220557 NA MeJP NA NA +MJ071445 Paraensidimerine A C30H30N2O4 482.220557 NA MeJP NA NA +MJ071446 Paraensidimerine B; 1'-Dehydro, 2'-Deoxy C30H30N2O4 482.220557 NA MeJP NA NA +MJ071447 Pteledimeridine C30H30N2O4 482.220557 NA MeJP NA NA +MJ071448 Pteledimerine C30H30N2O4 482.220557 NA MeJP NA NA +MJ071449 Sagandipine C27H31FN2O5 482.2217 NA MeJP NA NA +PJ002427 AQQH C19H30N8O7 482.2238 NA PeJP NA NA +MJ071450 6-Acetoxy-14,15-epoxy-3,11-dihydroxymeliaca-1,5-dien-7-one C28H34O7 482.230453 NA MeJP NA NA +MJ071451 Cedrelone; 11?-Acetoxy, 1,2-dihydro C28H34O7 482.230453 NA MeJP NA NA +MJ071452 Dulciol B; 2',3'-Dihydro, 3'-hydroxy C28H34O7 482.230453 NA MeJP NA NA +MJ071453 Gedunin C28H34O7 482.230453 NA MeJP NA NA +MJ071454 Glechonin A; 10,10'-Dideacetyl, 10,10'-bis(2-methylpropanoyl) C28H34O7 482.230453 NA MeJP NA NA +MJ071455 Macrocarpin B C28H34O7 482.230453 NA MeJP NA NA +MJ071456 Nimbinene C28H34O7 482.230453 NA MeJP NA NA +MJ071457 Nimbocinol; 1?,2?:14?,15?-Diepoxide, Ac C28H34O7 482.230453 NA MeJP NA NA +MJ071458 Nimolicinol C28H34O7 482.230453 NA MeJP NA NA +MJ071459 Proceranone; 14?,15?-Epoxide C28H34O7 482.230453 NA MeJP NA NA +MJ071460 Subelliptenone E C28H34O7 482.230453 NA MeJP NA NA +MJ071461 Withaphysalin E C28H34O7 482.230453 NA MeJP NA NA +2649 synthetic fr, of human beta-CN (190-197) ACE inhibitor NPPHQIYP 482.23095 MH2+ Inhouse_peptide NA peptide +PJ002428 PVMH C21H34N6O5S 482.2312 NA PeJP NA NA +MJ071462 Okaramine M C29H30N4O3 482.23179 NA MeJP NA NA +PJ002429 GNHR C18H30N10O6 482.235 NA PeJP NA NA +PJ002430 STLY C22H34N4O8 482.2377 NA PeJP NA NA +MJ071463 Discodermide C27H34N2O6 482.241686 NA MeJP NA NA +MJ071464 Tectol; 3,3',4,4'-Tetrahydro, 6,6'-di-Me ether C32H34O4 482.245709 NA MeJP NA NA +3041 inhibitor of fibrinogen and thrombin coagulation GPRGP 482.247 celiac toxic Inhouse_peptide NA peptide +PJ002431 VVEH C21H34N6O7 482.2489 NA PeJP NA NA +MJ071465 2,6,18-Trihydroxy-8,13-labdadien-15,16-olide, 6-O-?-L-Arabinopyranoside C25H38O9 482.251582 NA MeJP NA NA +MJ071466 6,17,18-Trihydroxy-8,13-labdadien-15,16-olide; 6?-form, 6-O-?-L-Arabinopyranoside C25H38O9 482.251582 NA MeJP NA NA +HMDB10351 11-beta-hydroxyandrosterone-3-glucuronide C25H38O9 482.251587 NA HMDB2010 NA NA +CJneg0623 Testosterone glucuronide isomer [(M-H)+(H2O)]- C25H37O9 482.252125 C18rt(min)=7.5 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0623 Testosterone glucuronide isomer [(M-H)+(H2O)]- C25H37O9 482.252125 C18rt(min)=7.5 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +PJ002432 GLFF C26H34N4O5 482.2529 NA PeJP NA NA +MJ071467 Gentamicin A1; 6'-Me C19H38N4O10 482.258793 NA MeJP NA NA +MJ071468 Gentamicin A; 6'-Me C19H38N4O10 482.258793 NA MeJP NA NA +MJ071469 Gentamicin B C19H38N4O10 482.258793 NA MeJP NA NA +MJ071470 Gentamicin X2 C19H38N4O10 482.258793 NA MeJP NA NA +C17702 Gentamicin X2 C19H38N4O10 482.2588 NA KEGG NA NA +PJ002433 PPNR C20H34N8O6 482.2602 NA PeJP NA NA +2894 neuropeptide from eyestalk of Macrobrachium rosenb NRNFLRF~ 482.2619 MH2+ Inhouse_peptide NA peptide +MJ071471 18,20-Epoxy-4,18-dihydroxy-1-oxowitha-2,5,24-trienolide, 18-Me ether C29H38O6 482.266838 NA MeJP NA NA +MJ071472 2,3,22,23-Tetrahydroxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione; 22?-form, 3-Me ether C29H38O6 482.266838 NA MeJP NA NA +MJ071473 2,3,7-Trihydroxy-24-nor-6-oxo-1,3,5(10),7-friedelatetraen-29-oic acid C29H38O6 482.266838 NA MeJP NA NA +MJ071474 Euphoractine A C29H38O6 482.266838 NA MeJP NA NA +MJ071475 Euphoractine F C29H38O6 482.266838 NA MeJP NA NA +MJ071476 Jaspiferal A; 3-Ac C29H38O6 482.266838 NA MeJP NA NA +MJ071477 O-(3,8-Dihydroxydriman-11-yl)umbelliferone, 3'-O-Angeloyl C29H38O6 482.266838 NA MeJP NA NA +MJ071478 horactine B C29H38O6 482.266838 NA MeJP NA NA +MJ071479 Ceridimine; N-De-Me C30H34N4O2 482.268176 NA MeJP NA NA +MJ071480 Strychnobaridine C30H34N4O2 482.268176 NA MeJP NA NA +MJ071481 Strychnofoline C30H34N4O2 482.268176 NA MeJP NA NA +MJ071482 Usambarensine; 6',10-Dihydroxy, 1'S,2,3,4-tetrahydro, N2'-Me C30H34N4O2 482.268176 NA MeJP NA NA +MJ071483 Usambarensine; 6'-Methoxy, 10-hydroxy, 1'S,2,3,4-tetrahydro C30H34N4O2 482.268176 NA MeJP NA NA +MJ071484 6-Bromo-5,9,24-heptacosatrienoic acid C27H47BrO2 482.275943 NA MeJP NA NA +MJ071485 Cilobradine C28H38N2O5 482.278072 NA MeJP NA NA +MJ071486 Hennoxazole F C28H38N2O5 482.278072 NA MeJP NA NA +PJ002434 TLLH C22H38N6O6 482.2853 NA PeJP NA NA +MJ071487 10(20)-Grayanotoxene-3,5,16-triol, 3-O-?-D-Glucopyranoside C26H42O8 482.287968 NA MeJP NA NA +MJ071488 16-Kaurene-2,14,15-triol, 2-O-?-D-Glucopyranoside C26H42O8 482.287968 NA MeJP NA NA +MJ071489 16-Kaurene-2,6,15-triol, 2-O-?-D-Glucopyranoside C26H42O8 482.287968 NA MeJP NA NA +MJ071490 16-Kaurene-6,15,20-triol, 6-O-?-D-Glucopyranoside C26H42O8 482.287968 NA MeJP NA NA +MJ071491 17,19-Kauranediol, 19-Carboxylic acid, 17-O-?-D-glucopyranoside C26H42O8 482.287968 NA MeJP NA NA +MJ071492 3,16,17-Kauranetriol, 3-Ketone,17-?-D-glucopyranoside C26H42O8 482.287968 NA MeJP NA NA +MJ071493 3,8(17)-Dolabelladiene-2,7,16,18-tetrol, 16-(3-Hydroxy-3-methylglutaryl) C26H42O8 482.287968 NA MeJP NA NA +MJ071494 3-(13-Carboxy-14,15-dihydroxyhexadecyl)-5-methyl-2(5H)-furanone; Di-Ac C26H42O8 482.287968 NA MeJP NA NA +MJ071495 6,15-Dihydroxy-8(17)-labden-19-oic acid, 19?6-Lactone, 15-O-?-D-glucopyranoside C26H42O8 482.287968 NA MeJP NA NA +MJ071496 7,15-Isopimaradiene-2,3,19-triol, 19-?-D-Altropyranoside C26H42O8 482.287968 NA MeJP NA NA +MJ071497 7-Pimarene-3,15,16-triol, 3-Ketone, 16-O-?-D-glucopyranoside C26H42O8 482.287968 NA MeJP NA NA +MJ071498 8,13-Labdadiene-15,17,19-triol, 17-Aldehyde, 19-O-?-D-glucopyranoside C26H42O8 482.287968 NA MeJP NA NA +MJ071499 Fusicoccin H C26H42O8 482.287968 NA MeJP NA NA +C09093 Fusicoccin H C26H42O8 482.288 NA KEGG NA NA +MJ071500 Chaetoglobosin J; 19-Deoxy, 20-deoxo C32H38N2O2 482.293328 NA MeJP NA NA +PJ002435 AKKH C21H38N8O5 482.2965 NA PeJP NA NA +MJ071501 15,24-Dihydroxy-1,12-oleanadiene-3,11,22-trione; 15?-form C30H42O5 482.303224 NA MeJP NA NA +MJ071502 20,24-Epoxy-3,16-dihydroxycucurbita-5,23-diene-11,22-dione, 3-Ketone C30H42O5 482.303224 NA MeJP NA NA +MJ071503 23-Oxo-3,4-seco-4(28),6,8(14),24-mariesatetraene-3,26-dioic acid; 24Z-form C30H42O5 482.303224 NA MeJP NA NA +MJ071504 24-Hydroxy-A(1)-nor-2,20(29)-lupadien-27,18-olid-28-oic acid; 18?-form, Me ester C30H42O5 482.303224 NA MeJP NA NA +MJ071505 7-Hydroxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid, 7-Ketone, Me ester C30H42O5 482.303224 NA MeJP NA NA +MJ071506 Abiesonic acid C30H42O5 482.303224 NA MeJP NA NA +MJ071507 Blepharodol C30H42O5 482.303224 NA MeJP NA NA +MJ071508 Coronalolide C30H42O5 482.303224 NA MeJP NA NA +MJ071509 Emecorrugatin A C30H42O5 482.303224 NA MeJP NA NA +MJ071510 Kadsulactone A C30H42O5 482.303224 NA MeJP NA NA +MJ071511 Muscicolide A C30H42O5 482.303224 NA MeJP NA NA +MJ071512 Pulidysenterin C30H42O5 482.303224 NA MeJP NA NA +MJ071513 Salvadione B C30H42O5 482.303224 NA MeJP NA NA +MJ071514 Salvatrione C30H42O5 482.303224 NA MeJP NA NA +MJ071515 2,3,11,14,20,22-Hexahydroxycholestan-6-one C27H46O7 482.324353 NA MeJP NA NA +MJ071516 2,3,4,6,11,19-Hexahydroxy-9,11-secocholest-22-en-9-one C27H46O7 482.324353 NA MeJP NA NA +MJ071517 Cholest-7-ene-2,3,5,6,9,11,19-heptol C27H46O7 482.324353 NA MeJP NA NA +MJ071518 22-Hydroxy-23-methylene-3-oxodammara-20,24-dien-26-oic acid C31H46O4 482.339609 NA MeJP NA NA +MJ071519 3,13-Dihydroxy-11-ursen-28-oic acid, 28?13 Lactone, 3-formyl C31H46O4 482.339609 NA MeJP NA NA +MJ071520 3,16-Dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid, 3-Ketone C31H46O4 482.339609 NA MeJP NA NA +MJ071521 3,19,20-Trihydroxy-11,13(18)-ursadien-28-oic acid, 28?20 Lactone, 19-Me ether C31H46O4 482.339609 NA MeJP NA NA +MJ071522 3,23-Dioxo-24-methylenelanost-8-en-26-oic acid C31H46O4 482.339609 NA MeJP NA NA +MJ071523 3-Hydroxy-23-oxo-7,14,24-mariesiatrien-26-oic acid, 3-Me ether C31H46O4 482.339609 NA MeJP NA NA +MJ071524 Adlupone C31H46O4 482.339609 NA MeJP NA NA +MJ071525 Anguinomycin C C31H46O4 482.339609 NA MeJP NA NA +MJ071526 Diacarnoic acid B; 7-Deoxo, benzyl ester C31H46O4 482.339609 NA MeJP NA NA +MJ071527 Juruenolide B C31H46O4 482.339609 NA MeJP NA NA +MJ071528 Muqubilin, Benzyl ester C31H46O4 482.339609 NA MeJP NA NA +MJ071529 Poricoic acid C C31H46O4 482.339609 NA MeJP NA NA +MJ071530 Complanadine A C32H42N4 482.340947 NA MeJP NA NA +MJ071531 3,20-Diaminopregnane-2,4-diol, N20,N20-Di-Me, N3-benzoyl C30H46N2O3 482.350843 NA MeJP NA NA +MJ071532 Ergostane-3,5,6,15,16,26-hexol C28H50O6 482.360739 NA MeJP NA NA +MJ071533 Ergostane-3,6,8,15,16,26-hexol C28H50O6 482.360739 NA MeJP NA NA +MJ071534 Sekothrixide C28H50O6 482.360739 NA MeJP NA NA +MJ071535 11,12-Epoxy-14-taraxeren-3-ol, Ac C32H50O3 482.375995 NA MeJP NA NA +MJ071536 12,18-Taraxastadiene-3,28-diol, 3-Ac C32H50O3 482.375995 NA MeJP NA NA +MJ071537 12-Oleanene-3,11-diol, 11-Ketone, 3-Ac C32H50O3 482.375995 NA MeJP NA NA +MJ071538 12-Oleanene-3,28-diol, 28-Aldehyde, 3-Ac C32H50O3 482.375995 NA MeJP NA NA +MJ071539 12-Ursene-3,11-diol, 3-Ketone, Ac C32H50O3 482.375995 NA MeJP NA NA +MJ071540 12-Ursene-3,28-diol, 28-Aldehyde, 3-Ac C32H50O3 482.375995 NA MeJP NA NA +MJ071541 14-Taraxerene-3,29-diol, 3-Ketone, 29-Ac C32H50O3 482.375995 NA MeJP NA NA +MJ071542 16,28-Dotriacontadiene-2,4,31-triyne-1,6,30-triol C32H50O3 482.375995 NA MeJP NA NA +MJ071543 17,28-Dotriacontadiene-2,4,31-triyne-1,6,30-triol C32H50O3 482.375995 NA MeJP NA NA +MJ071544 18-Oleanene-3,28-diol, 28-Aldehyde, 3-Ac C32H50O3 482.375995 NA MeJP NA NA +MJ071545 20(29)-Lupene-3,28-diol, 28-O-Aldehyde, Ac C32H50O3 482.375995 NA MeJP NA NA +MJ071546 20-Taraxastene-3,22-diol, 22-Ketone, 3-Ac C32H50O3 482.375995 NA MeJP NA NA +MJ071547 21,23-Epoxytirucalla-7,24-dien-3-ol, Ac C32H50O3 482.375995 NA MeJP NA NA +MJ071548 22-Hydroxy-12-hopen-15-one; Ac C32H50O3 482.375995 NA MeJP NA NA +MJ071549 27(14?13)-Abeo-3-hydroxy-14-ursen-16-one, 3-Ac C32H50O3 482.375995 NA MeJP NA NA +MJ071550 3-Hydroxy-20-taraxasten-30-al, Ac C32H50O3 482.375995 NA MeJP NA NA +MJ071551 3-Hydroxylanosta-8,24-dien-11-one, 3-Ac C32H50O3 482.375995 NA MeJP NA NA +MJ071552 9(11),12-Oleanadiene-3,6-diol, 3-Ac C32H50O3 482.375995 NA MeJP NA NA +MJ071553 Marsformoxide A C32H50O3 482.375995 NA MeJP NA NA +MJ071554 12-Ursen-3-ol, Propanoyl C33H54O2 482.41238 NA MeJP NA NA +MJ071555 2,6,10-Farnesatrien-1-ol, 9,12,15-Octadecatrienoyl C33H54O2 482.41238 NA MeJP NA NA +MJ071556 24-Methylcycloart-25-en-3-ol, Ac C33H54O2 482.41238 NA MeJP NA NA +MJ071557 24-Methyldammara-20,25-dien-3-ol, Ac C33H54O2 482.41238 NA MeJP NA NA +MJ071558 24-Methylenecycloartan-3-ol, Ac C33H54O2 482.41238 NA MeJP NA NA +MJ071559 24-Methylenelanost-8-en-3-ol, Ac C33H54O2 482.41238 NA MeJP NA NA +MJ071560 34,35-Dinor-6,11-bacteriohopadiene-32,33-diol C33H54O2 482.41238 NA MeJP NA NA +MJ071561 Cyclosadol; Ac C33H54O2 482.41238 NA MeJP NA NA +MJ071562 Stigmasta-5,25-dien-3-ol, 3-Butanoyl C33H54O2 482.41238 NA MeJP NA NA +MJ071563 Arenosclerin A C32H54N2O 482.423614 NA MeJP NA NA +MJ071564 Tryptamine; Nb-Docosanoyl C32H54N2O 482.423614 NA MeJP NA NA +MJ071565 13,14-Dimethyloctacosanedioic acid C30H58O4 482.43351 NA MeJP NA NA +MJ071566 14-Methylnonacosanedioic acid C30H58O4 482.43351 NA MeJP NA NA +MJ071567 Triacontanedioic acid C30H58O4 482.43351 NA MeJP NA NA +MJ071568 2,3,7,10,15,18,22,23-Octamethyl-6,19-dimethylene-1,10,14,23-tetracosatetraene; 10,11-Epoxide C34H58O 482.448766 NA MeJP NA NA +MJ071569 23-Ethyl-24-methylenecycloartan-3-ol, Me ether C34H58O 482.448766 NA MeJP NA NA +MJ071570 23-Isopropyl-24-methylcycloart-25-en-3-ol C34H58O 482.448766 NA MeJP NA NA +MJ071571 25-Ethyl-24-methylenelanost-9(11)-en-3-ol; Me ether C34H58O 482.448766 NA MeJP NA NA +MJ071572 Clausenol; Me ether C34H58O 482.448766 NA MeJP NA NA +MJ071573 6,8-Dotriacontanediol C32H66O2 482.506281 NA MeJP NA NA +MJ071574 7,9-Dotriacontanediol C32H66O2 482.506281 NA MeJP NA NA +7757 antioxidant from grass carp muscle PSKYEPFV 482.7355 MH2+ Inhouse_peptide NA peptide +8126 peptide derived from grass carp muscle (Ctenopharyngodon idellus) PSKYEPFV 482.7355 MH2+ Inhouse_peptide NA peptide +2895 neuropeptide from eyestalk of Macrobrachium rosenb DRNFLRF~ 482.7539 MH2+ Inhouse_peptide NA peptide +HMDB00082 Cytidine triphosphate C9H16N3O14P3 482.984497 NA HMDB2010 NA NA +HMDB00082 Cytidine triphosphate C9H16N3O14P3 482.9845 http://www.hmdb.ca/metabolites/HMDB00082 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00082 Cytidine triphosphate C9H16N3O14P3 482.9845 http://www.hmdb.ca/metabolites/HMDB00082 HMDB NA NA +C00063 CTP C9H16N3O14P3 482.9845 NA KEGG NA NA +HMDB00082 Cytidine triphosphate C9H16N3O14P3 482.9845 http://www.hmdb.ca/metabolites/HMDB00082 PFEM_hmdb_metabocards_blood NA blood +HMDB00082 Cytidine triphosphate C9H16N3O14P3 482.9845 HMDB00082 PFEM_hmdb_metabocards_official NA NA +MJ071575 Cytidine 5'-triphosphate C9H16N3O14P3 482.984511 NA MeJP NA NA +MJ071576 CTP C9H16N3O14P3 482.984511 NA MeJP NA NA +MetaCyc03684 CTP [cytidine-triphosphate;cytidine-5'-triphosphate;] C9H16N3O14P3 482.984512 65-47-4 metacyc NA NA +C04832 Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide C13H26NO10PS3 483.0456 NA KEGG NA NA +C04833 m7G(5')pppm6Am (mRNA containing an N6,2'-O-dimethyladenosine cap) C28H42N10O23P4R 483.0456 NA KEGG NA NA +MetaCyc03685 CoB-CoM heterodisulfide [CoB-S-S-CoM;Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;N-{7-[(2-sulfoethyl)dithio]heptanoyl}-3-O-phospho-L-threonine;] C13H26N1O10P1S3 483.045645 NA metacyc NA NA +MJ071577 3-Hydroxy-5-(methylthio)pentyl glucosinolate; S,S-Dioxide C13H25NO12S3 483.053887 NA MeJP NA NA +C04030 (2,3-Dihydroxybenzoyl)adenylate C17H18N5O10P 483.0791 NA KEGG NA NA +C04031 (3S)-3-Hydroxyacyl-hydrolipoate C10H17O4S2R 483.0791 NA KEGG NA NA +MJ071578 (2,3-Dihydroxybenzoyl)adenylate C17H18N5O10P 483.079128 NA MeJP NA NA +MetaCyc03686 2,3-dihydroxybenzoyl-AMP [2,3-dihydroxybenzoyl adenylate;] C17H18N5O10P1 483.079128 NA metacyc NA NA +MetaCyc03687 (2,3-dihydroxybenzoyl)adenylate [] C17H18N5O10P1 483.079128 NA metacyc NA NA +MJ071579 Glucose 3-nitropropanoates; 1,2,6-Tris-(3-nitropropanoyl)-?-D-glucopyranose C15H21N3O15 483.097267 NA MeJP NA NA +MJ071580 Glucose 3-nitropropanoates; 1,2,6-Tris-(3-nitropropanoyl)-?-D-glucopyranose C15H21N3O15 483.097267 NA MeJP NA NA +MJ071581 Glucose 3-nitropropanoates; 1,3,6-Tris-(3-nitropropanoyl)-?-D-glucopyranose C15H21N3O15 483.097267 NA MeJP NA NA +MJ071582 Glucose 3-nitropropanoates; 1,4,6-Tris-(3-nitropropanoyl)-?-D-glucopyranose C15H21N3O15 483.097267 NA MeJP NA NA +MJ071583 Glucose 3-nitropropanoates; 2,3,6-Tris-(3-nitropropanoyl)-?-D-glucopyranose C15H21N3O15 483.097267 NA MeJP NA NA +MJ071584 Glucose 3-nitropropanoates; 3,4,6-Tris-(3-nitropropanoyl)-?-D-glucopyranose C15H21N3O15 483.097267 NA MeJP NA NA +MJ071585 Glucose 3-nitropropanoates; Tris-(3-nitropropanoyl)-D-glucose (10) C15H21N3O15 483.097267 NA MeJP NA NA +MJ071586 Glucose 3-nitropropanoates; Tris-(3-nitropropanoyl)-D-glucose (11) C15H21N3O15 483.097267 NA MeJP NA NA +MJ071587 Glucose 3-nitropropanoates; Tris-(3-nitropropanoyl)-D-glucose (7) C15H21N3O15 483.097267 NA MeJP NA NA +MJ071588 Glucose 3-nitropropanoates; Tris-(3-nitropropanoyl)-D-glucose (8) C15H21N3O15 483.097267 NA MeJP NA NA +MJ071589 Glucose 3-nitropropanoates; Tris-(3-nitropropanoyl)-D-glucose (9) C15H21N3O15 483.097267 NA MeJP NA NA +C08495 Karakin C15H21N3O15 483.0973 NA KEGG NA NA +EUR300 Glutathione oxidized F2 F2 483.101975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR300 Gluthation oxyde F2 NA 483.101975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR300 Glutathione oxidized F2 F2 483.101975 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR300 Gluthation oxyde F2 NA 483.101975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR300 Glutathione oxidized F2 F2 483.101975 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR300 Gluthation oxyde F2 NA 483.101975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR300 Glutathione oxidized F2 F2 483.101975 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR300 Glutathione oxidized F2 F2 483.101975 standards wishlist analysés sur QTOF HMDB NA NA +EUR300 Glutathione oxidized F2 F2 483.101975 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR300 Gluthation oxyde F2 NA 483.101975 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR300 Glutathione oxidized F2 F2 483.101975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR300 Glutathione oxidized F2 F2 483.101975 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ002436 GSCCD C15H25N5O9S2 483.1094 NA PeJP NA NA +MJ071590 Nicergoline C24H26BrN3O3 483.115754 NA MeJP NA NA +PJ002437 CCQM C16H29N5O6S3 483.128 NA PeJP NA NA +MJ071591 Urochordamine A C22H26BrN7O 483.138221 NA MeJP NA NA +PJ002438 CCCR C15H29N7O5S3 483.1393 NA PeJP NA NA +PJ002439 GSSCM C16H29N5O8S2 483.1458 NA PeJP NA NA +MJ071592 Amrubicin C25H25NO9 483.152931 NA MeJP NA NA +PJ002440 SSSTC C16H29N5O10S 483.1635 NA PeJP NA NA +PJ002441 CCKM C17H33N5O5S3 483.1644 NA PeJP NA NA +MJ071593 Acrimarine A; O5,O6-Didemethoxy C29H25NO6 483.168187 NA MeJP NA NA +PJ002442 GNMY C20H29N5O7S 483.1788 NA PeJP NA NA +MJ071594 Carminomycin I; 11-Deoxy, 13-deoxo C26H29NO8 483.189316 NA MeJP NA NA +PJ002443 PCQH C19H29N7O6S 483.19 NA PeJP NA NA +PJ002444 SSQY C20H29N5O9 483.1965 NA PeJP NA NA +MJ071595 Oberadilol C25H30ClN5O3 483.203717 NA MeJP NA NA +MJ071596 2-Amino-2-deoxy-?-D-mannopyranuronosyl-(1?4)-2-amino-2-deoxy-?-L-fucopyranosyl-(1?3)-2-amino-2-deoxy-L-fucose C18H33N3O12 483.206423 NA MeJP NA NA +MJ071597 2-Amino-2-deoxy-?-D-mannopyranuronosyl-(1?4)-2-amino-2-deoxy-?-L-fucopyranosyl-(1?3)-2-amino-2-deoxy-L-fucose C18H33N3O12 483.206423 NA MeJP NA NA +PJ002445 AQEH C19H29N7O8 483.2078 NA PeJP NA NA +MJ071598 Onetine; O12,O20-Di-Ac C23H33NO10 483.210446 NA MeJP NA NA +PJ002446 GNFF C24H29N5O6 483.2118 NA PeJP NA NA +PJ002447 ACKY C21H33N5O6S 483.2152 NA PeJP NA NA +PJ002448 GDHR C18H29N9O7 483.219 NA PeJP NA NA +PJ002449 AAHW C23H29N7O5 483.223 NA PeJP NA NA +PJ002450 PCKH C20H33N7O5S 483.2264 NA PeJP NA NA +PJ002451 SSKY C21H33N5O8 483.2329 NA PeJP NA NA +MJ071599 Ecastolol C26H33N3O6 483.236935 NA MeJP NA NA +MJ071600 N1,N10-Dicoumaroylspermidine; 3' or 3''-Hydroxy, 3'' or 3'-methoxy C26H33N3O6 483.236935 NA MeJP NA NA +MJ071601 Spermidine; N-(3,4-Dihydroxycinnamoyl), N''-(4-hydroxy-3-methoxycinnamoyl) C26H33N3O6 483.236935 NA MeJP NA NA +MJ071602 Barmastine C27H29N7O2 483.238273 NA MeJP NA NA +MJ071603 Antibiotic K 144e C19H37N3O11 483.242809 NA MeJP NA NA +PJ002452 PPDR C20H33N7O7 483.2442 NA PeJP NA NA +MJ071604 Ropitoin C30H33N3O3 483.252191 NA MeJP NA NA +C00825 Kanamycin B C18H37N5O10 483.254 NA KEGG NA NA +MJ071605 Kanamycin B C18H37N5O10 483.254042 NA MeJP NA NA +MetaCyc03688 kanamycin B [nebramycin factor 5;bekanamycin;kanamycin-B;] C18H37N5O10 483.254042 4696-76-8 metacyc NA NA +PJ002453 ATHR C19H33N9O6 483.2554 NA PeJP NA NA +CJneg0624 Testosterone glucuronide isomer [(M-H)+(H2O)]- (13C) C2413CH37O9 483.255525 C18rt(min)=7.5 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0624 Testosterone glucuronide isomer [(M-H)+(H2O)]- (13C) C2413CH37O9 483.255525 C18rt(min)=7.5 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +EUR818 Lyso PE 14:1 [M-H+acetate]- C19H38NO7P 483.259692 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR818 Lyso PE 14:1 [M-H+acetate]- C19H38NO7P 483.259692 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR818 Lyso PE 14:1 [M-H+acetate]- C19H38NO7P 483.259692 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR818 Lyso PE 14:1 [M-H+acetate]- C19H38NO7P 483.259692 masses lipides attendues Inhousejuil11 NA NA +MJ071606 Hetidine; O3-(S-2-Methylbutanoyl), O2-Ac C28H37NO6 483.262087 NA MeJP NA NA +MJ071607 Sczukidine; 2-(2-Methylbutanoyl), 15-Ac C28H37NO6 483.262087 NA MeJP NA NA +PJ002454 GPPTL C22H37N5O7 483.2693 NA PeJP NA NA +PJ002455 SLKH C21H37N7O6 483.2806 NA PeJP NA NA +MJ071608 Delcaroline C25H41NO8 483.283217 NA MeJP NA NA +MJ071609 Jervine; N-Methoxycarbonyl C29H41NO5 483.298473 NA MeJP NA NA +MJ071610 Norzoanthamine; 17S-alcohol C29H41NO5 483.298473 NA MeJP NA NA +C02592 Taurolithocholate C26H45NO5S 483.3018 NA KEGG NA NA +MJ071611 3-Hydroxycholan-24-oic acid, N-(2-Sulfoethyl)amide C26H45NO5S 483.301844 NA MeJP NA NA +MetaCyc03689 taurolithocholate [] C26H45N1O5S1 483.301844 516-90-5 metacyc NA NA +HMDB00722 Lithocholyltaurine C26H45NO5S 483.301849 NA HMDB2010 NA NA +HMDB00722 Lithocholyltaurine C26H45NO5S 483.30185 http://www.hmdb.ca/metabolites/HMDB00722 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00722 Lithocholyltaurine C26H45NO5S 483.30185 http://www.hmdb.ca/metabolites/HMDB00722 HMDB NA NA +HMDB00722 Lithocholyltaurine C26H45NO5S 483.30185 http://www.hmdb.ca/metabolites/HMDB00722 PFEM_hmdb_metabocards_blood NA blood +HMDB00722 Lithocholyltaurine C26H45NO5S 483.30185 HMDB00722 PFEM_hmdb_metabocards_official NA NA +PJ002456 AAPLL C23H41N5O6 483.3057 NA PeJP NA NA +PJ002457 PVLR C22H41N7O5 483.3169 NA PeJP NA NA +MJ071612 Daphnezomine C C30H45NO4 483.334858 NA MeJP NA NA +MJ071613 Lucidine B; 14?-Hydroxy C30H49N3O2 483.382477 NA MeJP NA NA +MJ071614 Lucidine B; 6',17-Diepimer, 14?-hydroxy C30H49N3O2 483.382477 NA MeJP NA NA +MJ071615 Spirolucidine C30H49N3O2 483.382477 NA MeJP NA NA +C09891 Oxolucidine B C30H49N3O2 483.3825 NA KEGG NA NA +C09903 Spirolucidine C30H49N3O2 483.3825 NA KEGG NA NA +HMDB11758 Cer(d18:0/12:0) C30H61NO3 483.465149 NA HMDB2010 NA NA +MJ071616 2,6-Dibromo-3,5-dihydroxybenzeneacetic acid; Di-O-sulfate C8H6Br2O10S2 483.776913 NA MeJP NA NA +MJ071617 3-[Bromo(3,5-dibromo-6-ethyltetrahydro-2H-pyran-2-yl)methyl]-6-ethynyl-2,5-dioxabicyclo[2.2.1]heptane C15H19Br3O3 483.888432 NA MeJP NA NA +MJ071618 Aplyparvunin C15H19Br3O3 483.888432 NA MeJP NA NA +MJ071619 Neoobtusin C15H19Br3O3 483.888432 NA MeJP NA NA +MJ071620 Obtusin C15H19Br3O3 483.888432 NA MeJP NA NA +MJ071621 Hamacanthin A C20H14Br2N4O 483.953436 NA MeJP NA NA +MJ071622 Hamacanthin B C20H14Br2N4O 483.953436 NA MeJP NA NA +C00075 UTP C9H15N2O15P3 483.9685 NA KEGG NA NA +MJ071623 Uridine 5'-triphosphate C9H15N2O15P3 483.968527 NA MeJP NA NA +MJ071624 UTP C9H15N2O15P3 483.968527 NA MeJP NA NA +MetaCyc03690 UTP [uridine-triphosphate;uridine-5'-triphosphate;] C9H15N2O15P3 483.968527 63-39-8 metacyc NA NA +HMDB00285 Uridine triphosphate C9H15N2O15P3 483.968536 NA HMDB2010 NA NA +HMDB00285 Uridine triphosphate C9H15N2O15P3 483.96854 http://www.hmdb.ca/metabolites/HMDB00285 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00285 Uridine triphosphate C9H15N2O15P3 483.96854 http://www.hmdb.ca/metabolites/HMDB00285 HMDB NA NA +HMDB00285 Uridine triphosphate C9H15N2O15P3 483.96854 http://www.hmdb.ca/metabolites/HMDB00285 PFEM_hmdb_metabocards_blood NA blood +HMDB00285 Uridine triphosphate C9H15N2O15P3 483.96854 HMDB00285 PFEM_hmdb_metabocards_official NA NA +MJ071625 Trepirium(2+), Diiodide C12H26I2N2O2 484.008364 NA MeJP NA NA +C13378 alpha,beta-Dihydroxyethyl-TPP C14H22N4O9P2S 484.0583 NA KEGG NA NA +C13379 Transferred to D06395 C14H22N4O9P2S 484.0583 NA KEGG NA NA +C13380 Transferred to D01907 C14H22N4O9P2S 484.0583 NA KEGG NA NA +C13381 Transferred to D01908 C14H22N4O9P2S 484.0583 NA KEGG NA NA +C13382 Transferred to D01909 C14H22N4O9P2S 484.0583 NA KEGG NA NA +C13383 Transferred to D01910 C14H22N4O9P2S 484.0583 NA KEGG NA NA +C13384 Transferred to D01911 C14H22N4O9P2S 484.0583 NA KEGG NA NA +C13385 Transferred to D01912 C14H22N4O9P2S 484.0583 NA KEGG NA NA +C13386 Transferred to D01913 C14H22N4O9P2S 484.0583 NA KEGG NA NA +C13387 Transferred to D01914 C14H22N4O9P2S 484.0583 NA KEGG NA NA +C13388 Transferred to D01915 C14H22N4O9P2S 484.0583 NA KEGG NA NA +C13389 Transferred to D01916 C14H22N4O9P2S 484.0583 NA KEGG NA NA +C13968 Cefamandole sodium C18H17N6O5S2 484.06 NA KEGG NA NA +C13969 Transferred to D02192 C18H17N6O5S2 484.06 NA KEGG NA NA +C13970 Transferred to D02193 C18H17N6O5S2 484.06 NA KEGG NA NA +C13971 Transferred to D02194 C18H17N6O5S2 484.06 NA KEGG NA NA +C13972 Transferred to D02195 C18H17N6O5S2 484.06 NA KEGG NA NA +C04101 1-O,6-O-Digalloyl-beta-D-glucose C20H20O14 484.0853 NA KEGG NA NA +MJ071626 1,2-Digalloylglucose; ?-D-Pyranose-form C20H20O14 484.085305 NA MeJP NA NA +MJ071627 1,4-Digalloylglucose; ?-D-Pyranose-form C20H20O14 484.085305 NA MeJP NA NA +MJ071628 1,4-Digalloylglucose; ?-D-Pyranose-form C20H20O14 484.085305 NA MeJP NA NA +MJ071629 1,6-Digalloylglucose; ?-D-Pyranose-form C20H20O14 484.085305 NA MeJP NA NA +MJ071630 2,6-Digalloylglucose C20H20O14 484.085305 NA MeJP NA NA +MJ071631 2-C-Hydroxymethylribose; ?-D-Furanose-form, 2',5-Bis(3,4,5-trihydroxybenzoyl) C20H20O14 484.085305 NA MeJP NA NA +MJ071632 2-C-Hydroxymethylribose; D-Furanose-form, 1,2'-Bis(3,4,5-trihydroxybenzoyl) C20H20O14 484.085305 NA MeJP NA NA +MJ071633 2-C-Hydroxymethylribose; D-Pyranose-form, 2',4-Bis(3,4,5-trihydroxybenzoyl) C20H20O14 484.085305 NA MeJP NA NA +MJ071634 3,4,5-Trihydroxybenzoic acid; 3-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C20H20O14 484.085305 NA MeJP NA NA +MJ071635 3,4,5-Trihydroxybenzoic acid; 4-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C20H20O14 484.085305 NA MeJP NA NA +MJ071636 3,4-Digalloylglucose C20H20O14 484.085305 NA MeJP NA NA +MJ071637 3,6-Digalloylglucose; D-Pyranose-form C20H20O14 484.085305 NA MeJP NA NA +MJ071638 4,6-Digalloylglucose C20H20O14 484.085305 NA MeJP NA NA +MJ071639 Nilocitin C20H20O14 484.085305 NA MeJP NA NA +MetaCyc03691 1-O,6-O-digalloyl-β-D-glucose [3,4,5-trihydroxybenzoic acid [3,4,5-trihydroxy-6-(3,4,5- trihydroxybenzoyl)oxy-tetrahydropyran-2-yl]methyl ester;] C20H20O14 484.085305 NA metacyc NA NA +MJ071640 Crustinic acid C24H20O11 484.100561 NA MeJP NA NA +MJ071641 Hiascic acid C24H20O11 484.100561 NA MeJP NA NA +MJ071642 Lasallic acid C24H20O11 484.100561 NA MeJP NA NA +MJ071643 Falconensin A; 1',2'-Dihydro C23H26Cl2O7 484.105558 NA MeJP NA NA +MJ071644 Stenosporic acid; 3,5-Dichloro, O-de-Me, 2'-Me ether C23H26Cl2O7 484.105558 NA MeJP NA NA +PJ002458 CCEM C16H28N4O7S3 484.112 NA PeJP NA NA +MJ071645 Cassigarol D C28H20O8 484.115817 NA MeJP NA NA +MJ071646 Cassigarol G C28H20O8 484.115817 NA MeJP NA NA +MJ071647 Diphyllin; Benzoyl C28H20O8 484.115817 NA MeJP NA NA +MJ071648 Diuredosan C19H25N4O7PS 484.118156 NA MeJP NA NA +MJ071649 1,2,3,5-Benzenetetrol; 1,3-Di-Me ether, 2-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C21H24O13 484.12169 NA MeJP NA NA +MJ071650 1,2,3,5-Benzenetetrol; 1,3-Di-Me ether, 5-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C21H24O13 484.12169 NA MeJP NA NA +MJ071651 3,3',4,4',5,5',7-Heptahydroxyflavan; 3-O-?-D-Glucopyranoside C21H24O13 484.12169 NA MeJP NA NA +MJ071652 6,7-Dihydroxy-2H-1-benzopyran-2-one; 6-O-[3-Hydroxy-3-methylglutaroyl-(?6)-?-D-glucopyranoside] C21H24O13 484.12169 NA MeJP NA NA +FL6DAGGS0001 Diospyrin C21H24O13 484.12169 27838-81-9 knapsack NA NA +MJ071653 N-[[3-(?-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid C20H24N2O12 484.132924 NA MeJP NA NA +MetaCyc03692 3-(O-β-glucosyl)-2-oxindole-3-acetyl-asp [3-(O-β-glucosyl)-2-oxindole-3-acetyl-aspartic acid;3-(O-β-glucosyl)-2-indolone-3-acetyl-aspartic acid;3-(O-β-glucosyl)-dioxindole-3-acetyl-aspartic acid;] C20H24N2O12 484.132924 NA metacyc NA NA +MJ071654 8-[1-(3,4-Dihydroxyphenyl)-3-methoxy-3-oxopropyl]epicatechin C25H24O10 484.136946 NA MeJP NA NA +MJ071655 Silydianin C25H24O10 484.136946 NA MeJP NA NA +PJ002459 PCCY C20H28N4O6S2 484.145 NA PeJP NA NA +PJ002460 TCMM C17H32N4O6S3 484.1484 NA PeJP NA NA +MJ071656 4-Hydroxy-5-methyl-2H-1-benzopyran-2-one; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C22H28O12 484.158076 NA MeJP NA NA +MJ071657 7-Methyl-1,4,5-naphthalenetriol; 4-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C22H28O12 484.158076 NA MeJP NA NA +MJ071658 Bruceaketolic acid C22H28O12 484.158076 NA MeJP NA NA +PJ002461 GDMY C20H28N4O8S 484.1628 NA PeJP NA NA +MJ071659 3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl), 15-(4-hydroxybenzoyl) C26H28O9 484.173332 NA MeJP NA NA +MJ071660 Brownin D C26H28O9 484.173332 NA MeJP NA NA +MJ071661 Brownin F C26H28O9 484.173332 NA MeJP NA NA +MJ071662 Dukunolide D; 8?,9?-Epoxide C26H28O9 484.173332 NA MeJP NA NA +MJ071663 Evodol C26H28O9 484.173332 NA MeJP NA NA +MJ071664 Perforatin C26H28O9 484.173332 NA MeJP NA NA +PJ002462 PCEH C19H28N6O7S 484.174 NA PeJP NA NA +MJ071665 Glisindamide C24H28N4O5S 484.17804 NA MeJP NA NA +PJ002463 SSEY C20H28N4O10 484.1806 NA PeJP NA NA +PJ002464 GMMF C21H32N4O5S2 484.1814 NA PeJP NA NA +MJ071666 Ulobetasol; 17-Propanoyl C25H31ClF2O5 484.182808 NA MeJP NA NA +MJ071667 5-Hydroxytryptamine; Nb-(4-Hydroxycinnamoyl)(E-), O-?-D-glucopyranoside C25H28N2O8 484.184565 NA MeJP NA NA +MJ071668 Antibiotic UK 2; Antibiotic UK 2A, Demethoxy C25H28N2O8 484.184565 NA MeJP NA NA +MJ071669 Mappicine, 17-Hydroxy, O-?-D-glucopyranoside C25H28N2O8 484.184565 NA MeJP NA NA +MJ071670 6-Chloro-2,8,9,12-tetrahydroxy-5,13-briaradien-18,7-olide; 2,12-Di-Ac C24H33ClO8 484.186395 NA MeJP NA NA +FL1DA9NC0005 Angoluvarin C30H28O6 484.18858 110874-65-2 knapsack NA NA +FL1DA9NC0006 Diuvaretin C30H28O6 484.18858 61463-04-5 knapsack NA NA +FL2F19NC0003 (+)-Tephrorin B;Tephrorin B C30H28O6 484.18858 261767-63-9 knapsack NA NA +MJ071671 Angoluvarin C30H28O6 484.188588 NA MeJP NA NA +MJ071672 Bisparasin C30H28O6 484.188588 NA MeJP NA NA +MJ071673 Diuvaretin C30H28O6 484.188588 NA MeJP NA NA +MJ071674 Isothamnosin A C30H28O6 484.188588 NA MeJP NA NA +MJ071675 Marchantin C; 2'-Hydroxy, 7'?-ethoxy C30H28O6 484.188588 NA MeJP NA NA +MJ071676 Phebalin C30H28O6 484.188588 NA MeJP NA NA +MJ071677 Shancilin C30H28O6 484.188588 NA MeJP NA NA +MJ071678 Thamnosin C30H28O6 484.188588 NA MeJP NA NA +PJ002465 AEEH C19H28N6O9 484.1918 NA PeJP NA NA +PJ002466 GDFF C24H28N4O7 484.1958 NA PeJP NA NA +PJ002467 ATMY C21H32N4O7S 484.1992 NA PeJP NA NA +MJ071679 3-[1-(4-Chlorophenyl)propyl]-7-(6,7-dihydroxy-3,7-dimethyl-2-octenyl)-4-hydroxy-2H-1-benzopyran-2-one C28H33ClO5 484.201651 NA MeJP NA NA +PJ002468 SNQH C18H28N8O8 484.203 NA PeJP NA NA +MJ071680 5-[4-[(1,6-Dihydro-6-oxo-3-pyridazinyl)oxy]-3,4-dihydro-3-hydroxy-2,2,3-trimethyl-2H-1-benzopyran-6-yl]-1H-tetrazole-1-butanoic acid, Et ester C23H28N6O6 484.207032 NA MeJP NA NA +C08178 Hydrocortisone sodium succinate C25H33O8 484.2073 NA KEGG NA NA +MJ071681 Atalantolide C27H32O8 484.209718 NA MeJP NA NA +MJ071682 Binankadsurin A; 7-Angeloyl C27H32O8 484.209718 NA MeJP NA NA +MJ071683 Carapin; 6-Hydroxy C27H32O8 484.209718 NA MeJP NA NA +MJ071684 Chrodrimanin A; 1-Ac C27H32O8 484.209718 NA MeJP NA NA +MJ071685 Deacylschiarisanrin; 10-(2-Methylbutanoyl) C27H32O8 484.209718 NA MeJP NA NA +MJ071686 Isogomisin O; 3-O-De-Me, 7-tigloyl C27H32O8 484.209718 NA MeJP NA NA +MJ071687 Margosinolide C27H32O8 484.209718 NA MeJP NA NA +MJ071688 Mexicanolide; 2?-Hydroxy C27H32O8 484.209718 NA MeJP NA NA +MJ071689 Oriciopsin C27H32O8 484.209718 NA MeJP NA NA +MJ071690 Physodic acid; 3-Me ether C27H32O8 484.209718 NA MeJP NA NA +MJ071691 Physodic acid; 8-Me ether C27H32O8 484.209718 NA MeJP NA NA +MJ071692 Verrucarin J C27H32O8 484.209718 NA MeJP NA NA +PJ002469 PTMH C20H32N6O6S 484.2104 NA PeJP NA NA +MJ071693 Bagougeramine A C17H28N10O7 484.214243 NA MeJP NA NA +MJ071694 Neocondurangotriose C20H36O13 484.215591 NA MeJP NA NA +PJ002470 TTTY C21H32N4O9 484.2169 NA PeJP NA NA +MJ071695 10,11-Dimethoxy-1-methyldeacetylpicraline; Ac C26H32N2O7 484.220951 NA MeJP NA NA +PJ002471 SLEH C20H32N6O8 484.2282 NA PeJP NA NA +MJ071696 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,4-Di-Ac C24H36O10 484.230847 NA MeJP NA NA +MJ071697 Monodontamide B; Deformyl C25H32N4O6 484.232184 NA MeJP NA NA +PJ002472 GVFY C25H32N4O6 484.2322 NA PeJP NA NA +MJ071698 Antibiotic NK 1012-3 C18H36N4O11 484.238058 NA MeJP NA NA +MJ071699 Kanamycin A C18H36N4O11 484.238058 NA MeJP NA NA +MJ071700 Kanamycin C C18H36N4O11 484.238058 NA MeJP NA NA +MJ071701 Nebramycin factor 3 C18H36N4O11 484.238058 NA MeJP NA NA +MetaCyc03693 kanamycin C [] C18H36N4O11 484.238058 NA metacyc NA NA +MetaCyc03694 kanamycin A [] C18H36N4O11 484.238058 NA metacyc NA NA +C01822 Kanamycin A C18H36N4O11 484.2381 NA KEGG NA NA +C01823 Kanamycin C C18H36N4O11 484.2381 NA KEGG NA NA +PJ002473 SNKH C19H32N8O7 484.2394 NA PeJP NA NA +PJ002474 FRY C24H32N6O5 484.2434 NA PeJP NA NA +MJ071702 Segetalin B C24H32N6O5 484.243418 NA MeJP NA NA +MJ071703 1,2,9-Trihydroxydihydro-?-agarofuran, 1E-Cinnamoyl, 2,9-di-Ac C28H36O7 484.246103 NA MeJP NA NA +MJ071704 1,6,9-Trihydroxydihydro-?-agarofuran, 9-Cinnamoyl, 1,6-di-Ac C28H36O7 484.246103 NA MeJP NA NA +MJ071705 12,22-Epoxy-12,17,21-trihydroxy-1-oxoergosta-2,5,24-trien-26,23-olide C28H36O7 484.246103 NA MeJP NA NA +MJ071706 3,4,6,8-Tetrahydroxy-11,13-clerodadien-15,16-olide, 4-Me ether, 6-benzoyl C28H36O7 484.246103 NA MeJP NA NA +MJ071707 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Benzoyl C28H36O7 484.246103 NA MeJP NA NA +MJ071708 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(4-Hydroxybenzoyl) C28H36O7 484.246103 NA MeJP NA NA +MJ071709 3-[3-Acetyl-5-(3,7-dimethyl-2,6-octadienyl)-2,4,6-trihydroxybenzyl]-4-hydroxy-5,6-dimethyl-2H-pyran-2-one; 6-Propyl analogue C28H36O7 484.246103 NA MeJP NA NA +MJ071710 5,6-Epoxy-4,16-dihydroxy-1,18-dioxowitha-2,24-dienolide C28H36O7 484.246103 NA MeJP NA NA +MJ071711 5,6:12,21-Diepoxy-12,17-dihydroxy-1-oxowitha-2,24-dienolide C28H36O7 484.246103 NA MeJP NA NA +MJ071712 5,6:18,20-Diepoxy-4,18-dihydroxy-1-oxowitha-2,24-dienolide C28H36O7 484.246103 NA MeJP NA NA +MJ071713 6,7-Epoxy-5,12-dihydroxy-1-oxowitha-2,24-dienolide, 24S,25S-Epoxide, 12-ketone C28H36O7 484.246103 NA MeJP NA NA +MJ071714 6,7-Epoxy-5,17-dihydroxy-1,12-dioxowitha-2,24-dienolide C28H36O7 484.246103 NA MeJP NA NA +MJ071715 7-O-(3-Hydroxy-7-drimen-11-yl)isofraxidin C28H36O7 484.246103 NA MeJP NA NA +MJ071716 7-O-(3-Hydroxy-8(12)-drimen-11-yl)isofraxidin C28H36O7 484.246103 NA MeJP NA NA +MJ071717 7-[3-(4-Acetyl-3-methoxy-2-propylphenoxy)propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylic acid C28H36O7 484.246103 NA MeJP NA NA +MJ071718 Deparnol; O-Ac C28H36O7 484.246103 NA MeJP NA NA +MJ071719 Gedunin; 1,2-Dihydro C28H36O7 484.246103 NA MeJP NA NA +MJ071720 Jaborosalactone P; 5?,6?-Epoxide C28H36O7 484.246103 NA MeJP NA NA +MJ071721 Jaborosalactone R C28H36O7 484.246103 NA MeJP NA NA +MJ071722 Nimocinolide C28H36O7 484.246103 NA MeJP NA NA +MJ071723 Trechonolide A C28H36O7 484.246103 NA MeJP NA NA +MJ071724 Withaphysalin C C28H36O7 484.246103 NA MeJP NA NA +PJ002475 VVMH C21H36N6O5S 484.2468 NA PeJP NA NA +7494 ACE inhibitor (from bovine b-CN) LNVPGEIVE 484.25195 MH2+ Inhouse_peptide NA peptide +MJ071725 Melibionic acid; Me ester, octa-Me C21H40O12 484.251976 NA MeJP NA NA +MJ071726 Dimerum acid C22H36N4O8 484.253314 NA MeJP NA NA +PJ002476 GSPPK C21H36N6O7 484.2646 NA PeJP NA NA +MJ071727 1,6,10-Farnesatriene-3,12-diol, 3-O-(2,6-Di-O-acetyl-?-D-glucopyranoside) C25H40O9 484.267232 NA MeJP NA NA +MJ071728 1,6,10-Farnesatriene-3,9-diol; 9-O-(2,6-Di-O-acetyl-?-D-glucopyranoside) C25H40O9 484.267232 NA MeJP NA NA +MJ071729 3,5,6,7,10,14,16-Grayanotoxaneheptol, 14-Propanoyl, 6-Ac C25H40O9 484.267232 NA MeJP NA NA +MJ071730 3,5,6,7,10,14,16-Grayanotoxaneheptol, 14-Propanoyl, 7-Ac C25H40O9 484.267232 NA MeJP NA NA +MJ071731 3,5,6,7,10,14,16-Grayanotoxaneheptol, 7-Propanoyl, 6-Ac C25H40O9 484.267232 NA MeJP NA NA +MJ071732 6,8,18-Trihydroxy-13-labden-15,16-olide, 6-O-?-L-Arabinopyranoside C25H40O9 484.267232 NA MeJP NA NA +PJ002477 PVNR C20H36N8O6 484.2758 NA PeJP NA NA +MJ071733 12-Hydroxy-20,24-dimethyl-16,24-dioxo-14,17-scalaradien-25-oic acid; 12?-form, Ac C29H40O6 484.282489 NA MeJP NA NA +MJ071734 14-Hydroxy-4-methyl-3,7,11-trioxoergosta-8,24(28)-dien-26-oic acid C29H40O6 484.282489 NA MeJP NA NA +MJ071735 4-Formyl-8a-[[(hexahydro-7-methyl-3-methylene-2H-furo[2,3-c]pyran-5-yl)oxy]methyl]-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1H)-carboxylic acid C29H40O6 484.282489 NA MeJP NA NA +MJ071736 6,15,19-Trihydroxy-5(10),13-halimadien-3-one, 19-[3-(4-Hydroxyphenyl)propanoyl] ester C29H40O6 484.282489 NA MeJP NA NA +MJ071737 Ardisiaquinone E C29H40O6 484.282489 NA MeJP NA NA +MJ071738 Taonia peroxylactone A C29H40O6 484.282489 NA MeJP NA NA +MJ071739 Zosterdiol A; 1',4'-Di-de-Me, 1',4'-quinone, 5-Ac C29H40O6 484.282489 NA MeJP NA NA +C12150 Stigmatellin Y C29H40O6 484.2825 NA KEGG NA NA +PJ002478 GPRR C19H36N10O5 484.287 NA PeJP NA NA +8199 ACE inhibitor KAPVA 484.288 NA ;SYN:((amino(imino)methyl)(methyl)amino)acetate; ((amino(imino)methyl)(methyl)amino)acetic acid; (alpha-Methylguanido)acetate; (alpha-Methylguanido)acetic acid; Cosmocair C 100; Creatin; Creatine; Creatine hydrate; Kreatin; Krebiozon; Methylguanidoacetate; Methylguanidoacetic acid; N-(Aminoiminomethyl)-N-Methyl-Glycine; N-Methyl-N-guanylglycine; Phosphagen; [[Amino(imino)methyl](methyl)amino]acetate; [[Amino(imino)methyl](methyl)amino]acetic acidH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +MJ071740 6-Bromo-24-methyl-5,9-hexacosadienoic acid C27H49BrO2 484.291593 NA MeJP NA NA +MJ071741 6-Bromo-25-methyl-5,9-hexacosadienoic acid C27H49BrO2 484.291593 NA MeJP NA NA +MJ071742 6-Bromo-5,9,24-heptacosatrienoic acid, 24,25-Dihydro C27H49BrO2 484.291593 NA MeJP NA NA +C13764 Gallopamil C28H40N2O5 484.2937 NA KEGG NA NA +MJ071743 Gallopamil C28H40N2O5 484.293722 NA MeJP NA NA +PJ002479 PLQK C22H40N6O6 484.301 NA PeJP NA NA +MJ071744 12,16,19-Kauranetriol, 19-O-?-D-Glucopyranoside C26H44O8 484.303618 NA MeJP NA NA +MJ071745 15-Pimarene-9,17,18-triol; 9?-form, 18-O-?-D-Glucopyranoside C26H44O8 484.303618 NA MeJP NA NA +MJ071746 16,17,18-Kauranetriol, 18-O-?-D-Glucopyranoside C26H44O8 484.303618 NA MeJP NA NA +MJ071747 16,17,19-Kauranetriol, 19-O-?-D-Glucopyranoside C26H44O8 484.303618 NA MeJP NA NA +MJ071748 2,6,16-Kauranetriol, 2-O-?-D-Glucopyranoside C26H44O8 484.303618 NA MeJP NA NA +MJ071749 27-Norcholestane-3,4,5,6,8,14,15,24-octol, 24-Ketone C26H44O8 484.303618 NA MeJP NA NA +MJ071750 3,16,17-Kauranetriol, 17-O-?-D-Glucopyranoside C26H44O8 484.303618 NA MeJP NA NA +MJ071751 7-Pimarene-3,15,16-triol, 16-O-?-D-Glucopyranoside C26H44O8 484.303618 NA MeJP NA NA +MJ071752 8(14)-Pimarene-3,15,16-triol, 3-O-?-D-Glucopyranoside C26H44O8 484.303618 NA MeJP NA NA +MJ071753 8(14)-Pimarene-3,15,16-triol, 16-O-?-D-Glucopyranoside C26H44O8 484.303618 NA MeJP NA NA +MJ071754 8(17),13-Labdadiene-2,15,19-triol, 15-O-?-D-Glucopyranoside C26H44O8 484.303618 NA MeJP NA NA +MJ071755 8(17),13-Labdadiene-3,15,18-triol, 15-O-?-D-Glucopyranoside C26H44O8 484.303618 NA MeJP NA NA +MJ071756 8(17),13-Labdadiene-3,15,18-triol, 18-O-?-D-Glucopyranoside C26H44O8 484.303618 NA MeJP NA NA +MJ071757 8(17),13-Labdadiene-3,15,19-triol, 15-O-?-D-Glucopyranoside C26H44O8 484.303618 NA MeJP NA NA +MJ071758 8(17),13-Labdadiene-3,6,15-triol, 15-O-?-D-Glucopyranoside C26H44O8 484.303618 NA MeJP NA NA +MJ071759 8(17),13-Labdadiene-6,15,18-triol, 18-O-?-D-Glucopyranoside C26H44O8 484.303618 NA MeJP NA NA +MJ071760 8(17),13-Labdadiene-6,15,19-triol, 15-O-?-D-Glucopyranoside C26H44O8 484.303618 NA MeJP NA NA +MJ071761 8,13-Labdadiene-15,17,19-triol, 19-O-?-D-Glucopyranoside C26H44O8 484.303618 NA MeJP NA NA +MJ071762 Pseudomonic acid C C26H44O8 484.303618 NA MeJP NA NA +MJ071763 Anorldianine C27H40N4O4 484.304955 NA MeJP NA NA +MJ071764 Mucronine J C27H40N4O4 484.304955 NA MeJP NA NA +MJ071765 Avenacein C25H44N2O7 484.314851 NA MeJP NA NA +MJ071766 1,3-Dihydroxy-5,24-withadienolide, 1-Ac C30H44O5 484.318874 NA MeJP NA NA +MJ071767 11-Hydroxy-3,21-dioxo-12-oleanen-28-oic acid; 11?-form C30H44O5 484.318874 NA MeJP NA NA +MJ071768 12,24-Dihydroxy-3-oxocycloarta-1,25-dien-21-oic acid C30H44O5 484.318874 NA MeJP NA NA +MJ071769 15,24-Dihydroxy-12-oleanene-3,11,22-trione; 15?-form C30H44O5 484.318874 NA MeJP NA NA +MJ071770 15-Hydroxy-3,11-dioxo-8,24-lanostadien-26-oic acid C30H44O5 484.318874 NA MeJP NA NA +MJ071771 16,23-Epoxy-2,20-dihydroxycucurbita-5,24-diene-3,11-dione C30H44O5 484.318874 NA MeJP NA NA +MJ071772 16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 3-Ketone C30H44O5 484.318874 NA MeJP NA NA +MJ071773 16-Hydroxy-3,24-dioxolanosta-7,9(11)-dien-21-oic acid; 16?-form C30H44O5 484.318874 NA MeJP NA NA +MJ071774 19-Hydroxy-3,11-dioxo-12-ursen-28-oic acid; 19?-form C30H44O5 484.318874 NA MeJP NA NA +MJ071775 2,19-Dihydroxy-3-oxo-1,12-ursadien-28-oic acid; 19?-form C30H44O5 484.318874 NA MeJP NA NA +MJ071776 20,24-Epoxy-3,16-dihydroxycucurbita-5,23-diene-11,22-dione C30H44O5 484.318874 NA MeJP NA NA +MJ071777 22,25-Epoxy-3,17-dihydroxylanosta-7,9(11)-dien-18,20-olide C30H44O5 484.318874 NA MeJP NA NA +MJ071778 23-Oxo-3,4-secoabieta-4(28),7,14(30)-triene-3,26-dioic acid C30H44O5 484.318874 NA MeJP NA NA +MJ071779 24,25-Epoxy-3,11-dihydroxycycloart-7-ene-16,23-dione C30H44O5 484.318874 NA MeJP NA NA +MJ071780 27(13?18)-Abeo-3-hydroxy-14-taraxerene-28,29-dioic acid, 3-Ketone C30H44O5 484.318874 NA MeJP NA NA +MJ071781 3,11-Dihydroxy-24-methylene-1-oxocycloart-7-en-28-oic acid C30H44O5 484.318874 NA MeJP NA NA +MJ071782 3,11-Dihydroxy-7-oxolanosta-8,24-dien-26,23-olide C30H44O5 484.318874 NA MeJP NA NA +MJ071783 3,18,21-Trihydroxy-11-oxo-12-oleanen-29-oic acid, 29 ?18 Lactone C30H44O5 484.318874 NA MeJP NA NA +MJ071784 3,22,24-Trihydroxy-11-oxo-12-oleanen-30-oic acid, 30?22 Lactone C30H44O5 484.318874 NA MeJP NA NA +MJ071785 3,22,24-Trihydroxy-12-oleanen-29-oic acid, 3,22-Diketone C30H44O5 484.318874 NA MeJP NA NA +MJ071786 3,24-Dihydroxy-16-oxo-11,13(18)-oleanadien-30-oic acid C30H44O5 484.318874 NA MeJP NA NA +MJ071787 3,27-Dihydroxy-11-oxo-12-oleanen-28-oic acid, 3-Ketone C30H44O5 484.318874 NA MeJP NA NA +MJ071788 3,27-Dihydroxy-20(29)-lupen-28-oic acid, 3-Ketone, 27-carboxylic acid C30H44O5 484.318874 NA MeJP NA NA +MJ071789 3,6,19-Trihydroxy-12-ursen-28-oic acid, 3,6-Diketone C30H44O5 484.318874 NA MeJP NA NA +MJ071790 3,x-Dihydroxy-22-oxo-11,13(18)-oleanadien-29-oic acid C30H44O5 484.318874 NA MeJP NA NA +MJ071791 3-Hydroxy-12-ursene-27,28-dioic acid, 3-Ketone C30H44O5 484.318874 NA MeJP NA NA +MJ071792 3-Hydroxy-2,24-dioxo-3-friedelen-29-oic acid C30H44O5 484.318874 NA MeJP NA NA +MJ071793 3-Hydroxyholost-8-ene-16,23-dione C30H44O5 484.318874 NA MeJP NA NA +MJ071794 3-Hydroxyholost-9(11)-ene-16,23-dione C30H44O5 484.318874 NA MeJP NA NA +MJ071795 4-(6-Hydroxy-12-oxo-11(13)-eudesmen-4-yloxy)-11(13)-eudesmen-12,6-olide C30H44O5 484.318874 NA MeJP NA NA +MJ071796 Abrusogenin C30H44O5 484.318874 NA MeJP NA NA +MJ071797 Anhydro-22-deoxo-3-epiisocucurbitacin D C30H44O5 484.318874 NA MeJP NA NA +MJ071798 Arunachalin C30H44O5 484.318874 NA MeJP NA NA +MJ071799 Azadiradionol C30H44O5 484.318874 NA MeJP NA NA +MJ071800 Cordifolin A; 23,24-Didehydro C30H44O5 484.318874 NA MeJP NA NA +MJ071801 Eunicenone B C30H44O5 484.318874 NA MeJP NA NA +MJ071802 Garcinielliptin oxide C30H44O5 484.318874 NA MeJP NA NA +MJ071803 Garsubellin A C30H44O5 484.318874 NA MeJP NA NA +MJ071804 Garsubellin C C30H44O5 484.318874 NA MeJP NA NA +MJ071805 Garsubellin D C30H44O5 484.318874 NA MeJP NA NA +MJ071806 Honuenone C30H44O5 484.318874 NA MeJP NA NA +MJ071807 Hypercalin C C30H44O5 484.318874 NA MeJP NA NA +MJ071808 Jacquinonic acid C30H44O5 484.318874 NA MeJP NA NA +MJ071809 Liquoric acid C30H44O5 484.318874 NA MeJP NA NA +MJ071810 Luffasterol B C30H44O5 484.318874 NA MeJP NA NA +MJ071811 Mimusopsic acid C30H44O5 484.318874 NA MeJP NA NA +MJ071812 Nalanthalide C30H44O5 484.318874 NA MeJP NA NA +MJ071813 Petuniasterone C; 22-Ac C30H44O5 484.318874 NA MeJP NA NA +MJ071814 Petuniasterone D C30H44O5 484.318874 NA MeJP NA NA +MJ071815 Poricoic acid B C30H44O5 484.318874 NA MeJP NA NA +MJ071816 Pseudolarolide C; Parent acid, 3?4 lactone C30H44O5 484.318874 NA MeJP NA NA +MJ071817 Sodwanone A; 10-Deoxy C30H44O5 484.318874 NA MeJP NA NA +MJ071818 Subellinone C30H44O5 484.318874 NA MeJP NA NA +MJ071819 Tigridial C30H44O5 484.318874 NA MeJP NA NA +C08971 Propapyriogenin A2 C30H44O5 484.3189 NA KEGG NA NA +MJ071820 Tangeraxanthin C34H44O2 484.33413 NA MeJP NA NA +C11604 N-tert-Butyloxycarbonyl-deacetyl-leupeptin C23H44N6O5 484.3373 NA KEGG NA NA +PJ002480 PLKK C23H44N6O5 484.3373 NA PeJP NA NA +MJ071821 2,3,4,6,11,19-Hexahydroxy-9,11-secocholest-22-en-9-one, 22,23-Dihydro C27H48O7 484.340003 NA MeJP NA NA +MJ071822 24-Methyl-27-nor-3,6,8,15,16,26-cholestanehexol, 4?-Hydroxy C27H48O7 484.340003 NA MeJP NA NA +MJ071823 Cholestane-3,4,6,8,15,16,26-heptol C27H48O7 484.340003 NA MeJP NA NA +MJ071824 Cholestane-3,5,6,15,16,25,26-heptol C27H48O7 484.340003 NA MeJP NA NA +MJ071825 Cholestane-3,5,6,7,15,16,26-heptol C27H48O7 484.340003 NA MeJP NA NA +MJ071826 Cholestane-3,6,7,8,15,16,26-heptol C27H48O7 484.340003 NA MeJP NA NA +MJ071827 1,3-Dihydroxy-24-methylenecycloartan-28-oic acid, 1-Ketone C31H48O4 484.35526 NA MeJP NA NA +MJ071828 12-Oleanene-3,22,24-triol, 3,24-Carbonate (cyclic ester) C31H48O4 484.35526 NA MeJP NA NA +MJ071829 16,23;24,25-Diepoxy-23-hydroxycycloartan-3-one, Me ether C31H48O4 484.35526 NA MeJP NA NA +MJ071830 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-(3-Oxododecanoyl) C31H48O4 484.35526 NA MeJP NA NA +MJ071831 21,22-Epoxy-3-hydroxy-12-oleanen-28-oic acid, Me ester C31H48O4 484.35526 NA MeJP NA NA +MJ071832 3,15-Dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid C31H48O4 484.35526 NA MeJP NA NA +MJ071833 3,16-Dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid C31H48O4 484.35526 NA MeJP NA NA +MJ071834 3,22-Dihydroxy-12-oleanen-29-oic acid, 3-Ketone, Me ester C31H48O4 484.35526 NA MeJP NA NA +MJ071835 3,22-Dihydroxy-12-ursen-30-oic acid, 3-Ketone, Me ester C31H48O4 484.35526 NA MeJP NA NA +MJ071836 3,23-Dihydroxy-4,4,17-trimethylcholesta-8,14,24-trien-26-oic acid, Me ester C31H48O4 484.35526 NA MeJP NA NA +MJ071837 3,24-Dihydroxy-11,13(18)-oleanadien-30-oic acid, Me ester C31H48O4 484.35526 NA MeJP NA NA +MJ071838 3,28-Dihydroxy-12,20-ursadien-23-oic acid, Me ester C31H48O4 484.35526 NA MeJP NA NA +MJ071839 3,4-Secocycloarta-4(28),24-diene-3,26-dioic acid, 3-Me ester C31H48O4 484.35526 NA MeJP NA NA +MJ071840 3,4-Secocycloarta-4(28),24-diene-3,26-dioic acid, 26-Me ester C31H48O4 484.35526 NA MeJP NA NA +MJ071841 3,4-Secocycloarta-4(28),24-diene-3,26-dioic acid, 3-Me ester C31H48O4 484.35526 NA MeJP NA NA +MJ071842 3,4-Secodammara-4(28),20,24-triene-3,26-dioic acid; 3-Me ester C31H48O4 484.35526 NA MeJP NA NA +MJ071843 3,4-Secotirucalla-4(28),7,24-triene-3,21-dioic acid; 3-Me ester C31H48O4 484.35526 NA MeJP NA NA +MJ071844 3,4-Secotirucalla-4(28),7,24-triene-3,26-dioic acid, 3-Me ester C31H48O4 484.35526 NA MeJP NA NA +MJ071845 3,7-Dihydroxylanosta-9(11),24-dien-26,23-olide, 3-Me ether C31H48O4 484.35526 NA MeJP NA NA +MJ071846 3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-Ketone, 11?-alcohol, 11-Me ether C31H48O4 484.35526 NA MeJP NA NA +MJ071847 3-Hydroxy-11-oxo-12-oleanen-30-oic acid, Me ester C31H48O4 484.35526 NA MeJP NA NA +MJ071848 3-Hydroxy-12-oxo-9(11)-oleanen-28-oic acid, Me ester C31H48O4 484.35526 NA MeJP NA NA +MJ071849 3-Hydroxy-12-ursen-28-oic acid, Formyl C31H48O4 484.35526 NA MeJP NA NA +MJ071850 5,8-Epidioxy-23-norgorgost-6-en-3-ol, Ac C31H48O4 484.35526 NA MeJP NA NA +MJ071851 Abietospiran C31H48O4 484.35526 NA MeJP NA NA +MJ071852 Cimigenol; 25-Deoxy, 25,26-didehydro, 15-Me ether C31H48O4 484.35526 NA MeJP NA NA +MJ071853 Eupha-7,24-diene-3,21,26-triol, 21-Carboxylic acid, 3-ketone, Me ester C31H48O4 484.35526 NA MeJP NA NA +MJ071854 Koellikerigenin; 25-Me ether C31H48O4 484.35526 NA MeJP NA NA +MJ071855 Kulonic acid; Me ester C31H48O4 484.35526 NA MeJP NA NA +MJ071856 Stowardolic acid C31H48O4 484.35526 NA MeJP NA NA +MJ071857 3,20-Diaminopregn-16-en-4-ol, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl), 4-Ac C30H48N2O3 484.366493 NA MeJP NA NA +MJ071858 3,20-Diaminopregn-2-en-4-ol, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl), 4-Ac C30H48N2O3 484.366493 NA MeJP NA NA +MJ071859 12-Oleanen-3-ol, 12?,13?-Epoxide, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071860 12-Oleanene-3,11-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071861 12-Oleanene-3,28-diol, 28-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071862 12-Oleanene-3,28-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071863 12-Ursene-3,11-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071864 12-Ursene-3,19-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071865 12-Ursene-3,28-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071866 14-Serratene-3,21-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071867 14-Serratene-3,21-diol, 21-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071868 14-Serratene-3,21-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071869 14-Taraxerene-3,28-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071870 14-Taraxerene-3,30-diol; 3?-form, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071871 16,28-Dotriacontadiene-2,4,31-triyne-1,6,30-triol; 16,17-Dihydro C32H52O3 484.391645 NA MeJP NA NA +MJ071872 18-Oleanene-3,22-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071873 18-Oleanene-3,28-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071874 2,3-Friedelanediol, 3-Ketone, 2-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071875 20(29)-Lupene-1,3-diol, 1-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071876 20(29)-Lupene-1,3-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071877 20(29)-Lupene-3,28-diol, 3-O-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071878 20(30)-Taraxastene-3,16-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071879 20-Taraxasten-3-ol, 20?,21?-Epoxide, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071880 20-Taraxastene-3,22-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071881 20-Taraxastene-3,6-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071882 20-Ursene-3,22-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071883 22(29)-Hopene-6,21-diol, 6-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071884 24-Methylenelanost-8-ene-3,21-diol, 21-Carboxylic acid, Me ester C32H52O3 484.391645 NA MeJP NA NA +MJ071885 25-Methylpisolactone C32H52O3 484.391645 NA MeJP NA NA +MJ071886 29-Hydroxy-18-methyl-4,27-hentriacontadiene-2,30-diynoic acid C32H52O3 484.391645 NA MeJP NA NA +MJ071887 3,25-Epoxy-22-hopanol, Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071888 3,29-Lupanediol, 29-Aldehyde, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071889 3-Hydroxy-27-friedelanal, Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071890 3-Hydroxycycloartan-24-one, Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071891 9(11)-Fernene-3,12-diol, 12-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071892 9(11)-Fernene-3,19-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071893 Cycloart-23-ene-3,25-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071894 Cycloart-24-ene-1,3-diol, 1-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071895 Cycloart-25-ene-3,24-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071896 Dammara-20,25-diene-3,17-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071897 Dammara-20,25-diene-3,24-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071898 Eupha-7,23-diene-3,25-diol, 3-Ac C32H52O3 484.391645 NA MeJP NA NA +MJ071899 Pellynol I C32H52O3 484.391645 NA MeJP NA NA +MJ071900 20,24-Epoxy-25-ethyl-24-methyldammaran-3-ol, 3-Ketone C33H56O2 484.428031 NA MeJP NA NA +MJ071901 24-Hydroxy-24,25-dimethyllanost-9(11)-en-3-one; 24?-form, Me ether C33H56O2 484.428031 NA MeJP NA NA +MJ071902 34,35-Dinor-6,11-bacteriohopadiene-32,33-diol, 11,12-Dihydro C33H56O2 484.428031 NA MeJP NA NA +MJ071903 7-Drimen-11-ol, O-(9,12-Octadecadienoyl) C33H56O2 484.428031 NA MeJP NA NA +3394 ACE inhibitor FPFEVFGK 484.7405 MH2+ Inhouse_peptide NA peptide +2589 tenecin-1 (17-27) DAACAAHCLFR~ 484.75095 MH2+ Inhouse_peptide NA peptide +3977 ACE inhibitor LDAQSAPLR 484.75595 MH2+ Inhouse_peptide NA peptide +8334 f(30-37) of alpha S1 casein VLNENLLR 484.7744 MH2+ Inhouse_peptide NA peptide +C11336 Mersalyl acid C13H17HgNO6 485.0762 NA KEGG NA NA +MJ071904 Mercuderamide, Me ether C13H17HgNO6 485.076212 NA MeJP NA NA +PJ002481 GTCCC C15H27N5O7S3 485.1073 NA PeJP NA NA +PJ002482 SSSCC C15H27N5O9S2 485.125 NA PeJP NA NA +PJ002483 CCNF C19H27N5O6S2 485.1403 NA PeJP NA NA +C17353 Nocardicin D C23H23N3O9 485.1434 NA KEGG NA NA +MJ071905 Nocardicin D C23H23N3O9 485.143429 NA MeJP NA NA +PJ002484 SCNY C19H27N5O8S 485.158 NA PeJP NA NA +PJ002485 GGSCY C19H27N5O8S 485.1581 NA PeJP NA NA +MJ071906 N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[3-(4-morpholinyl)propoxy]-6-quinazolinyl]-2-propanamide C24H25ClFN5O3 485.162995 NA MeJP NA NA +MJ071907 Rutacridone; 3'-Hydroxy, glucoside C25H27NO9 485.168581 NA MeJP NA NA +PJ002486 SNEH C18H27N7O9 485.187 NA PeJP NA NA +PJ002487 GGSEH C18H27N7O9 485.1871 NA PeJP NA NA +MJ071908 Imiclopazine C25H32ClN5OS 485.201609 NA MeJP NA NA +PJ002488 GSHW C22H27N7O6 485.2023 NA PeJP NA NA +PJ002489 AQMH C19H31N7O6S 485.2057 NA PeJP NA NA +PJ002490 GSPPE C20H31N5O9 485.2122 NA PeJP NA NA +PJ002491 ACHR C18H31N9O5S 485.2169 NA PeJP NA NA +MJ071909 2-Amino-2-deoxy-?-D-mannopyranosyl-(1?3)-2-amino-2-deoxy-?-L-fucopyranosyl-(1?3)-2-amino-2-deoxy-D-galactose C18H35N3O12 485.222073 NA MeJP NA NA +MJ071910 Antibiotic LL-BM 27?; 2-Deoxy C18H35N3O12 485.222073 NA MeJP NA NA +MetaCyc03695 kanamycin X [] C18H35N3O12 485.222074 NA metacyc NA NA +C17999 6-O-Glc-paromamine C18H35N3O12 485.2221 NA KEGG NA NA +PJ002492 SDKH C19H31N7O8 485.2234 NA PeJP NA NA +PJ002493 GGGGAAP C19H31N7O8 485.2235 NA PeJP NA NA +MJ071911 17-Methylparsonsianidine; 24?-Hydroxy C23H35NO10 485.226096 NA MeJP NA NA +PJ002494 SPPW C24H31N5O6 485.2275 NA PeJP NA NA +MJ071912 Antibiotic SF 2513; Antibiotic SF 2513B C22H36N3O7P 485.229087 NA MeJP NA NA +PJ002495 AAPPM C21H35N5O6S 485.2308 NA PeJP NA NA +PJ002496 SSHR C18H31N9O7 485.2347 NA PeJP NA NA +MJ071913 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(3-Pyridinecarbonyl) C27H35NO7 485.241352 NA MeJP NA NA +MJ071914 Antibiotic F 1839A; 2,3-Di-Ac C27H35NO7 485.241352 NA MeJP NA NA +MJ071915 Daphnezomine F; 7-Deoxo, 6,7-didehydro C27H35NO7 485.241352 NA MeJP NA NA +PJ002497 AKMH C20H35N7O5S 485.2421 NA PeJP NA NA +PJ002498 PLQE C21H35N5O8 485.2486 NA PeJP NA NA +EUR886 Lyso PE 20:5 [M-H-CH3]- C25H42NO7P 485.254242 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR886 Lyso PE 20:5 [M-H-CH3]- C25H42NO7P 485.254242 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR886 Lyso PE 20:5 [M-H-CH3]- C25H42NO7P 485.254242 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR886 Lyso PE 20:5 [M-H-CH3]- C25H42NO7P 485.254242 masses lipides attendues Inhousejuil11 NA NA +PJ002499 PVDR C20H35N7O7 485.2598 NA PeJP NA NA +PJ002500 APLW C25H35N5O5 485.2638 NA PeJP NA NA +MJ071916 Roseotoxin S C23H39N3O8 485.273715 NA MeJP NA NA +MJ071917 Sarcodon scabrosus Depsipeptide C23H39N3O8 485.273715 NA MeJP NA NA +EUR822 Lyso PE 15:0 [M+FA-H]- C20H42NO7P 485.274772 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR822 Lyso PE 15:0 [M+FA-H]- C20H42NO7P 485.274772 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR822 Lyso PE 15:0 [M+FA-H]- C20H42NO7P 485.274772 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR822 Lyso PE 15:0 [M+FA-H]- C20H42NO7P 485.274772 masses lipides attendues Inhousejuil11 NA NA +EUR813 Lyso PE 14:0 [M-H+acetate]- C19H40NO7P 485.275342 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR813 Lyso PE 14:0 [M-H+acetate]- C19H40NO7P 485.275342 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR813 Lyso PE 14:0 [M-H+acetate]- C19H40NO7P 485.275342 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR813 Lyso PE 14:0 [M-H+acetate]- C19H40NO7P 485.275342 masses lipides attendues Inhousejuil11 NA NA +MJ071918 Prednisolone; 21-(1-Piperidinoacetate) C28H39NO6 485.277737 NA MeJP NA NA +MJ071919 Prednylidene; 21-Diethylaminoacetyl C28H39NO6 485.277737 NA MeJP NA NA +MJ071920 Spirodihydrobenzofuranlactam I; N-(4-Carboxybutyl) C28H39NO6 485.277737 NA MeJP NA NA +PJ002501 PLKE C22H39N5O7 485.285 NA PeJP NA NA +CJneg0625 Chenodeoxyglycocholic acid [(M+Cl)]- C26H43ClNO5 485.290725 C18rt(min)=8.86 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0625 Chenodeoxyglycocholic acid [(M+Cl)]- C26H43ClNO5 485.290725 C18rt(min)=8.86 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +PJ002502 PTLR C21H39N7O6 485.2962 NA PeJP NA NA +MJ071921 Melochinine; O-?-D-Glucopyranoside C25H43NO8 485.298867 NA MeJP NA NA +MJ071922 Alkaloid LO1 C31H39N3O2 485.304227 NA MeJP NA NA +MJ071923 Delaminomycin A; 5'-Deoxy C29H43NO5 485.314123 NA MeJP NA NA +MJ071924 Scyphostatin C29H43NO5 485.314123 NA MeJP NA NA +PJ002503 LLLQ C23H43N5O6 485.3214 NA PeJP NA NA +PJ002504 VVLR C22H43N7O5 485.3326 NA PeJP NA NA +MJ071925 2-Amino-1,3,4-octadecanetriol, N,O,O,O-Tetra-Ac C26H47NO7 485.335252 NA MeJP NA NA +MJ071926 Daphnimacropine C30H47NO4 485.350508 NA MeJP NA NA +MJ071927 Daphniphyllidine C30H47NO4 485.350508 NA MeJP NA NA +PJ002505 LLLK C24H47N5O5 485.3577 NA PeJP NA NA +C01792 Chlordecone C10Cl10O 485.6834 NA KEGG NA NA +C01793 Chlorophyll C54H69MgN4O5R 485.6834 NA KEGG NA NA +MetaCyc03696 chlordecone [] C10O1CL10 485.683442 143-50-0 metacyc NA NA +MJ071928 2-[[3-Bromo-5-(1-bromopropyl)tetrahydro-2-furanyl]methyl]-5-(1-bromo-2-propynyl)tetrahydro-3-furanol C15H21Br3O3 485.904082 NA MeJP NA NA +MJ071929 3,6,13-Tribromo-4,10:9,12-diepoxy-14-pentadecyn-7-ol C15H21Br3O3 485.904082 NA MeJP NA NA +MJ071930 5-(1-Bromo-2-propynyl)-2-[(3,5-dibromo-6-ethyltetrahydro-2H-pyran-2-yl)methyl]tetrahydro-3-furanol C15H21Br3O3 485.904082 NA MeJP NA NA +MJ071931 Intricata bromoallene C15H21Br3O3 485.904082 NA MeJP NA NA +MJ071932 6,16,16-Tribromo-5,15-hexadecadienoic acid C16H25Br3O2 485.940467 NA MeJP NA NA +MJ071933 Neltenexine C18H20Br2N2O2S 485.961223 NA MeJP NA NA +MJ071934 Hamacanthin A, 3R,4-Dihydro C20H16Br2N4O 485.969086 NA MeJP NA NA +MJ071935 Hamacanthin A, 3S,4-Dihydro C20H16Br2N4O 485.969086 NA MeJP NA NA +MJ071936 Hamacanthin B; 3,4-Dihydro(cis-) C20H16Br2N4O 485.969086 NA MeJP NA NA +MJ071937 Dragmacidon A C21H20Br2N4 486.005471 NA MeJP NA NA +MJ071938 Salazinic acid; 1''-O-Fumaroyl C22H14O13 486.04344 NA MeJP NA NA +MJ071939 Tolufazepam C24H20Cl2N2O3S 486.057168 NA MeJP NA NA +MJ071940 3,8-Dichloro-11,12-dihydroindolo[2,3-a]carbazole; N-?-D-Glucopyranosyl C24H20Cl2N2O5 486.074927 NA MeJP NA NA +MJ071941 3-Ethyl-2-[5-(3-ethyl-2(3H)-benzoxazolylidene)-1,3-pentadienyl]benzoxazolium(1+); Iodide C23H23IN2O2 486.080421 NA MeJP NA NA +MJ071942 Garciduol A C27H18O9 486.095082 NA MeJP NA NA +MJ071943 Garciduol C C27H18O9 486.095082 NA MeJP NA NA +MJ071944 Marinone C25H27BrO5 486.104186 NA MeJP NA NA +PJ002506 CCMM C16H30N4O5S4 486.1099 NA PeJP NA NA +MJ071945 Sirodesmin A C20H26N2O8S2 486.113057 NA MeJP NA NA +C04385 Flavonol 3-O-(6-O-malonyl-beta-D-glucoside) C24H22O11 486.1162 NA KEGG NA NA +C04386 Myelin proteolipid O-palmitoylprotein C20H36N2O4R2 486.1162 NA KEGG NA NA +C04387 N-Acetyl-D-galactosaminyl-polypeptide C20H36N2O4R2 486.1162 NA KEGG NA NA +C12380 Tetracenomycin X C24H22O11 486.1162 NA KEGG NA NA +FL63AGNS0006 Epigallocatechin 3-O-(3,5-di-O-methylgallate) C24H22O11 486.11621 173484-92-9 knapsack NA NA +MJ071946 3,3',4',5,5',7-Hexahydroxyflavan, 3-O-(4-Hydroxy-3,5-dimethoxybenzoyl) C24H22O11 486.116211 NA MeJP NA NA +MJ071947 Alliaroside C24H22O11 486.116211 NA MeJP NA NA +MJ071948 Tetracenomycin C; 8-O-De-Me, O8-Et C24H22O11 486.116211 NA MeJP NA NA +MJ071949 Tetracenomycin C; O10a-Me C24H22O11 486.116211 NA MeJP NA NA +MJ071950 Pyranocyanin B C24H23O11(+) 486.116211 NA MeJP NA NA +MJ071951 Furbenicillin C22H22N4O7S 486.120919 NA MeJP NA NA +PJ002507 CCDF C19H26N4O7S2 486.1243 NA PeJP NA NA +MJ071952 Buprestin B C23H22N2O10 486.127444 NA MeJP NA NA +MJ071953 4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-(3-Chloro-2-hydroxy-2-methylpropanoyl), 9-Ac, Me ester C22H27ClO10 486.129274 NA MeJP NA NA +MJ071954 Bequinostatin A; 6-Deoxy, 5,6-didehydro C28H22O8 486.131467 NA MeJP NA NA +MJ071955 Cassigarol E C28H22O8 486.131467 NA MeJP NA NA +MJ071956 5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H26O13 486.13734 NA MeJP NA NA +MJ071957 5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one; 7-O-[?-D-Glucopyranosyl-(1?2)-apiofuranoside] C21H26O13 486.13734 NA MeJP NA NA +MJ071958 5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C21H26O13 486.13734 NA MeJP NA NA +MJ071959 5,7-Dihydroxy-4H-1-benzopyran-4-one; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C21H26O13 486.13734 NA MeJP NA NA +MJ071960 6,7-Dihydroxy-2H-1-benzopyran-2-one; 6-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C21H26O13 486.13734 NA MeJP NA NA +MJ071961 6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C21H26O13 486.13734 NA MeJP NA NA +MJ071962 7-Hydroxy-2H-1-benzopyran-2-one; O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C21H26O13 486.13734 NA MeJP NA NA +MJ071963 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C21H26O13 486.13734 NA MeJP NA NA +MJ071964 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H26O13 486.13734 NA MeJP NA NA +MJ071965 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C21H26O13 486.13734 NA MeJP NA NA +MJ071966 Leucodrin; 4'-O-?-D-Glucopyranoside C21H26O13 486.13734 NA MeJP NA NA +MJ071967 Plumieride; 6?,7?-Epoxide C21H26O13 486.13734 NA MeJP NA NA +MJ071968 Fluclorolone acetonide C24H29Cl2FO5 486.137607 NA MeJP NA NA +MJ071969 4-[1-[[[(4-Chlorophenyl)sulfonyl]amino]methyl]-4-(3-pyridinyl)butyl]benzenepropanoic acid C25H27ClN2O4S 486.138005 NA MeJP NA NA +PJ002508 SCDY C19H26N4O9S 486.1421 NA PeJP NA NA +C01315 (S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1- C24H26N2O7S 486.1461 NA KEGG NA NA +C06717 Mycothiol C17H30N2O12S 486.1519 NA KEGG NA NA +MetaCyc03697 mycothiol [MSH;AcCys-GlcN-Ins;1-D-myo-inosityl-2-(N-acetylcysteinyl)amido-2-deoxy-α-D-glucopyranoside;1-D-myo-inosityl-2-(N-acetylcysteinyl)amido-2-deoxy-α-D-glucopyranoside;] C17H30N2O12S1 486.151945 NA metacyc NA NA +MJ071970 1,3,8,9-Tetrahydroxy-6-methylanthracene; 3-O-(2,3-Diacetyl-?-L-rhamnopyranoside) C25H26O10 486.152597 NA MeJP NA NA +MJ071971 3-Methoxypodophyllotoxin; 7-Ac C25H26O10 486.152597 NA MeJP NA NA +MJ071972 5,6,7,8-Tetrahydro-5,6,7-trihydroxy-2-[2-(2-hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one, Tetra-Ac C25H26O10 486.152597 NA MeJP NA NA +MJ071973 7-Hydroxy-3',4',5',6-tetramethoxy-4,5-methylenedioxy-2,7'-cyclolignan-9',9-olide, Ac C25H26O10 486.152597 NA MeJP NA NA +MJ071974 Aquayamycin C25H26O10 486.152597 NA MeJP NA NA +MJ071975 Fridamycin A C25H26O10 486.152597 NA MeJP NA NA +MJ071976 Sakyomicin A C25H26O10 486.152597 NA MeJP NA NA +MJ071977 Steffimycin; 3,9-Bisdemethoxy, 7-deoxo, 2'-O-de-Me C25H26O10 486.152597 NA MeJP NA NA +C12412 Aquayamycin C25H26O10 486.1526 NA KEGG NA NA +MJ071978 ?-D-Galactopyranuronosyl-(1?2)-?-L-rhamnopyranosyl-(1?2)-L-rhamnose C18H30O15 486.15847 NA MeJP NA NA +MJ071979 ?-D-Glucuronopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-rhamnopyranose C18H30O15 486.15847 NA MeJP NA NA +PJ002509 ACMY C20H30N4O6S2 486.1607 NA PeJP NA NA +MJ071980 Singapurensine A; 11,12-Methylenedioxy C24H26N2O9 486.16383 NA MeJP NA NA +MJ071981 N-(Phosphinothricylalanylalanyl)phosphinothricin C16H32N4O9P2 486.164451 NA MeJP NA NA +PJ002510 CNNH C17H26N8O7S 486.1645 NA PeJP NA NA +PJ002511 GGGGCH C17H26N8O7S 486.1646 NA PeJP NA NA +MJ071982 Haterumalide NE; 9R-Hydroxy, 3-Ac C23H31ClO9 486.16566 NA MeJP NA NA +3111 adrenocorticotropin hormone fr,:1-4 SYSM 486.1674 celiac toxic Inhouse_peptide NA peptide +FL1C1ANI0026 Isogemichalcone B;3'-(4-Coumaroyloxy-3-methylbutyl-2(E)-enyl)-4,2',4'-trihydroxychalcone C29H26O7 486.16785 189031-28-5 knapsack NA NA +FL1C1ANI0027 Gemichalcone B;3'-(4-Coumaroyloxy-3-methylbutyl-2(Z)-enyl)-4,2',4'-trihydroxychalcone C29H26O7 486.16785 189031-26-3 knapsack NA NA +MJ071983 9,10-Dihydro-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]-6-methoxy-1,2,7-phenanthrenetriol; 10'-Hydroxy C29H26O7 486.167853 NA MeJP NA NA +MJ071984 Gemichalcone A; Demethoxy C29H26O7 486.167853 NA MeJP NA NA +MJ071985 Marchantin C; 2',12-Dihydroxy, 7?-methoxy C29H26O7 486.167853 NA MeJP NA NA +PJ002512 SDEH C18H26N6O10 486.1711 NA PeJP NA NA +PJ002513 PCMH C19H30N6O5S2 486.1719 NA PeJP NA NA +MJ071986 5-(2-Propenyl)-1,2,4-benzenetriol; 1,2-Methylene ether, 4-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C22H30O12 486.173726 NA MeJP NA NA +MJ071987 Arbutin; 2-O-(5-O-Tigloyl-?-D-apiofuranosyl) C22H30O12 486.173726 NA MeJP NA NA +MJ071988 Antibiotic OF 4949; Antibiotic OF 4949I C23H26N4O8 486.175063 NA MeJP NA NA +MJ071989 Nocardicin C C23H26N4O8 486.175063 NA MeJP NA NA +C17351 Nocardicin C C23H26N4O8 486.1751 NA KEGG NA NA +C17352 Isonocardicin C C23H26N4O8 486.1751 NA KEGG NA NA +PJ002514 SSMY C20H30N4O8S 486.1784 NA PeJP NA NA +MJ071990 Haplodimerine C28H26N2O6 486.179086 NA MeJP NA NA +C10691 Haplodimerine C28H26N2O6 486.1791 NA KEGG NA NA +MJ071991 Resormycin C21H31ClN4O7 486.188127 NA MeJP NA NA +FL1C1AGS0011 2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside C26H30O9 486.18898 597550-52-2 knapsack NA NA +MJ071992 1,3,5,11,14-Pentahydroxy-12,19-dioxobufa-20,22-dienolide, 1,3,5-Orthoacetate C26H30O9 486.188982 NA MeJP NA NA +MJ071993 12-O-Acetyl-17-acetoxy-15-epicoleon Z C26H30O9 486.188982 NA MeJP NA NA +MJ071994 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, tri-Ac C26H30O9 486.188982 NA MeJP NA NA +MJ071995 6,14,15-Trihydroxy-8-drimen-12,11-olide, 6-(4-Hydroxybenzoyl), 14,15-Di-Ac C26H30O9 486.188982 NA MeJP NA NA +MJ071996 Kihadanin A C26H30O9 486.188982 NA MeJP NA NA +MJ071997 Physodic acid; 2-Hydroxy C26H30O9 486.188982 NA MeJP NA NA +MJ071998 Physodic acid; 4-Hydroxy C26H30O9 486.188982 NA MeJP NA NA +MJ071999 Rutaevin C26H30O9 486.188982 NA MeJP NA NA +MJ072000 Vittatolic acid C26H30O9 486.188982 NA MeJP NA NA +C08779 Rutaevin C26H30O9 486.189 NA KEGG NA NA +C11608 Nafenopin glucuronide C26H30O9 486.189 NA KEGG NA NA +PJ002515 AEMH C19H30N6O7S 486.1897 NA PeJP NA NA +MJ072001 Antibiotic SF 2415A1 C26H31ClN2O5 486.192149 NA MeJP NA NA +PJ002516 ACFF C24H30N4O5S 486.1937 NA PeJP NA NA +MJ072002 Strophanthobiose; Pyranose-form, 6'-?-D-Glucopyranosyl C19H34O14 486.194855 NA MeJP NA NA +MJ072003 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 1-L-Aspartic acid, 16-L-valine diamide C25H30N2O8 486.200215 NA MeJP NA NA +MJ072004 Chandrine C25H30N2O8 486.200215 NA MeJP NA NA +MJ072005 Kopsaporine; 11,12-Dimethoxy C25H30N2O8 486.200215 NA MeJP NA NA +MJ072006 Kopsidine A C25H30N2O8 486.200215 NA MeJP NA NA +FL3FRNNP0008 Artelastochromene;3,8-Dihydroxy-11,11-dimethyl-13-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H,11H-bis[1]benzopyrano[4,3-b:6',7'-e]pyran-7-one C30H30O6 486.20423 182052-09-1 knapsack NA NA +MJ072007 Cycloheterophyllin; 2-Deoxy C30H30O6 486.204238 NA MeJP NA NA +MJ072008 Euchrenone b17 C30H30O6 486.204238 NA MeJP NA NA +MJ072009 Euchrenone b18 C30H30O6 486.204238 NA MeJP NA NA +MJ072010 Isoplagilin C30H30O6 486.204238 NA MeJP NA NA +MJ072011 Plagilin C30H30O6 486.204238 NA MeJP NA NA +MJ072012 Plagiolin C30H30O6 486.204238 NA MeJP NA NA +HMDB00585 Glucosylgalactosyl hydroxylysine C18H34N2O13 486.206085 NA HMDB2010 NA NA +HMDB00585 Glucosylgalactosyl hydroxylysine C18H34N2O13 486.20609 http://www.hmdb.ca/metabolites/HMDB00585 HMDB NA NA +HMDB00585 Glucosylgalactosyl hydroxylysine C18H34N2O13 486.20609 HMDB00585 PFEM_hmdb_metabocards_official NA NA +PJ002517 TTEH C19H30N6O9 486.2074 NA PeJP NA NA +PJ002518 GGPQE C19H30N6O9 486.2075 NA PeJP NA NA +PJ002519 GHHH C20H26N10O5 486.2088 NA PeJP NA NA +MJ072013 1-Hydroxy-5,10-dioxo-1,10:5,10-diseco-11(13)-eudesmen-12,8-olide, O-(6-O-Acetyl-?-D-glucopyranoside) C23H34O11 486.210111 NA MeJP NA NA +MJ072014 3,4,15-Scirpenetriol, 15-Ac, 4-O-?-D-glucopyranoside C23H34O11 486.210111 NA MeJP NA NA +PJ002520 AAYY C24H30N4O7 486.2115 NA PeJP NA NA +MJ072015 Antibiotic LL-AB 664 C18H30N8O8 486.218659 NA MeJP NA NA +MJ072016 Maculalactone E; 4-Deoxy C34H30O3 486.219494 NA MeJP NA NA +PJ002521 GPQW C23H30N6O6 486.2227 NA PeJP NA NA +MJ072017 7,9-Dihydroxy-3,3',4,4'-tetramethoxy-(8?9')-neolign-7'-ene, 9-O-(2-Hydroxymethyl-2-butenoyl)(Z-) C27H34O8 486.225368 NA MeJP NA NA +MJ072018 Angolensic acid; 6-Hydroxy, Me ester C27H34O8 486.225368 NA MeJP NA NA +MJ072019 Austalide I C27H34O8 486.225368 NA MeJP NA NA +MJ072020 Binankadsurin A; 7-O-(3-Methylbutanoyl) C27H34O8 486.225368 NA MeJP NA NA +MJ072021 Binankadsurin B; 4-O-De-Me, 2'-angeloyl C27H34O8 486.225368 NA MeJP NA NA +MJ072022 Carapin; 6R-Hydroxy, 3?-alcohol C27H34O8 486.225368 NA MeJP NA NA +MJ072023 Cneorin R C27H34O8 486.225368 NA MeJP NA NA +MJ072024 Haperforin E C27H34O8 486.225368 NA MeJP NA NA +MJ072025 Helinudifolin C27H34O8 486.225368 NA MeJP NA NA +MJ072026 Isogomisin O; 3-O-De-Me, 7-(2-methylbutanoyl) C27H34O8 486.225368 NA MeJP NA NA +MJ072027 Ivorensic acid; Me ester C27H34O8 486.225368 NA MeJP NA NA +MJ072028 Mexicanolide; 2?-Hydroxy, 3?-alcohol C27H34O8 486.225368 NA MeJP NA NA +MJ072029 Nimbin; 28-Parent acid, 2,3-dihydro, O-de-Ac C27H34O8 486.225368 NA MeJP NA NA +MJ072030 Olivetoric acid; O4-Me C27H34O8 486.225368 NA MeJP NA NA +MJ072031 Simarolide; 2-Deoxy, 3,4-didehydro C27H34O8 486.225368 NA MeJP NA NA +MJ072032 Strobilurin E; 9-Methoxy C27H34O8 486.225368 NA MeJP NA NA +MJ072033 Swietenolide C27H34O8 486.225368 NA MeJP NA NA +MJ072034 Veprisone C27H34O8 486.225368 NA MeJP NA NA +MJ072035 Verrucarin K C27H34O8 486.225368 NA MeJP NA NA +MJ072036 Xyloccensin K C27H34O8 486.225368 NA MeJP NA NA +PJ002522 SLMH C20H34N6O6S 486.2261 NA PeJP NA NA +MJ072037 Antibiotic CJ 12662; 8'a-Deoxy, deacetoxy C27H35ClN2O4 486.228535 NA MeJP NA NA +MJ072038 Pandangolide 4 C24H38O8S 486.228738 NA MeJP NA NA +PJ002523 PLEE C21H34N4O9 486.2326 NA PeJP NA NA +PJ002524 PPHH C22H30N8O5 486.2339 NA PeJP NA NA +MJ072039 Alvimine C26H34N2O7 486.236601 NA MeJP NA NA +PJ002525 PNKE C20H34N6O8 486.2438 NA PeJP NA NA +MJ072040 Megacidin C24H38O10 486.246497 NA MeJP NA NA +MJ072041 Cylindrocarine, N-Cinnamoyl C30H34N2O4 486.251857 NA MeJP NA NA +PJ002526 SPQR C19H34N8O7 486.2551 NA PeJP NA NA +PJ002527 GPKW C24H34N6O5 486.2591 NA PeJP NA NA +MJ072042 1,2,9-Trihydroxydihydro-?-agarofuran, 9-Benzoyl, 2-(2-Methylpropanoyl), 1-Ac C28H38O7 486.261753 NA MeJP NA NA +MJ072043 1,2,9-Trihydroxydihydro-?-agarofuran, 9-Benzoyl, 2-butanoyl, 1-Ac C28H38O7 486.261753 NA MeJP NA NA +MJ072044 14,17,20,27-Tetrahydroxy-1-oxowitha-3,5,24-trienolide C28H38O7 486.261753 NA MeJP NA NA +MJ072045 14,20-Epoxy-5,6,17-trihydroxy-1-oxowitha-2,24-dienolide C28H38O7 486.261753 NA MeJP NA NA +MJ072046 3-Hydroxycarda-14,16,20(22)-trienolide, 3-O-?-D-Xylopyranoside C28H38O7 486.261753 NA MeJP NA NA +MJ072047 4,14,17,20-Tetrahydroxy-1-oxowitha-2,5,24-trienolide C28H38O7 486.261753 NA MeJP NA NA +MJ072048 4,14,20,27-Tetrahydroxy-1-oxowitha-2,5,24-trienolide C28H38O7 486.261753 NA MeJP NA NA +MJ072049 5,6-Epoxy-4,14,15-trihydroxy-1-oxowitha-2,24-dienolide C28H38O7 486.261753 NA MeJP NA NA +MJ072050 5,6-Epoxy-4,18,20-trihydroxy-1-oxowitha-2,24-dienolide C28H38O7 486.261753 NA MeJP NA NA +MJ072051 5,6-Epoxy-4,7,20-trihydroxy-1-oxowitha-2,24-dienolide C28H38O7 486.261753 NA MeJP NA NA +MJ072052 6,7-Epoxy-5,12,27-trihydroxy-1-oxowitha-2,24-dienolide C28H38O7 486.261753 NA MeJP NA NA +MJ072053 6,7-Epoxy-5,12-dihydroxy-1-oxowitha-2,24-dienolide, 24S,25S-Epoxide C28H38O7 486.261753 NA MeJP NA NA +MJ072054 6,7-Epoxy-5,14,17-trihydroxy-1-oxowitha-2,24-dienolide C28H38O7 486.261753 NA MeJP NA NA +MJ072055 6,7-Epoxy-5,16,17-trihydroxy-1-oxowitha-2,24-dienolide C28H38O7 486.261753 NA MeJP NA NA +MJ072056 6,7-Epoxy-5-hydroxy-1-oxowitha-2,24-dienolide, 20?,27-Dihydroxy C28H38O7 486.261753 NA MeJP NA NA +MJ072057 7,18,20,27-Tetrahydroxy-1-oxowitha-2,4,24-trienolide C28H38O7 486.261753 NA MeJP NA NA +MJ072058 Acnistin E C28H38O7 486.261753 NA MeJP NA NA +MJ072059 Acnistin H C28H38O7 486.261753 NA MeJP NA NA +MJ072060 Bongkrekic acid C28H38O7 486.261753 NA MeJP NA NA +MJ072061 Eucalyptone C28H38O7 486.261753 NA MeJP NA NA +MJ072062 Hyperlatolic acid; 2'-Me ether C28H38O7 486.261753 NA MeJP NA NA +MJ072063 Isohyperlatolic acid; 2'-Me ether C28H38O7 486.261753 NA MeJP NA NA +MJ072064 Jaborosalactol M; 2,3-Didehydro, 26-ketone (lactone) C28H38O7 486.261753 NA MeJP NA NA +MJ072065 Nic 2; 17-Deoxy, 17-epimer, 12-oxo C28H38O7 486.261753 NA MeJP NA NA +MJ072066 Nicandrin B; 15?-Hydroxy C28H38O7 486.261753 NA MeJP NA NA +MJ072067 Nicaphysalin B C28H38O7 486.261753 NA MeJP NA NA +MJ072068 Nicaphysalin D C28H38O7 486.261753 NA MeJP NA NA +MJ072069 Physanolide C28H38O7 486.261753 NA MeJP NA NA +MJ072070 Prasinic acid; O-De-Me C28H38O7 486.261753 NA MeJP NA NA +MJ072071 Prednisolone; 17-Pentanoyl, 21-Ac C28H38O7 486.261753 NA MeJP NA NA +MJ072072 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Benzoyl C28H38O7 486.261753 NA MeJP NA NA +MJ072073 Pregn-5-ene-3,8,12,14,17,20-hexol, 20-Benzoyl C28H38O7 486.261753 NA MeJP NA NA +MJ072074 Viscosalactone A C28H38O7 486.261753 NA MeJP NA NA +MJ072075 Withaferin A; 12?-Hydroxy C28H38O7 486.261753 NA MeJP NA NA +MJ072076 Withajardin A C28H38O7 486.261753 NA MeJP NA NA +MJ072077 Withanolide D; 14?-Hydroxy C28H38O7 486.261753 NA MeJP NA NA +MJ072078 Withanolide D; 17?-Hydroxy C28H38O7 486.261753 NA MeJP NA NA +MJ072079 Withanolide D; 24S,25S-Epoxide C28H38O7 486.261753 NA MeJP NA NA +MJ072080 Withanolide D; 27-Hydroxy C28H38O7 486.261753 NA MeJP NA NA +MJ072081 Withanolide E C28H38O7 486.261753 NA MeJP NA NA +MJ072082 Withanolide Y C28H38O7 486.261753 NA MeJP NA NA +MJ072083 Withanone; 14?-Hydroxy C28H38O7 486.261753 NA MeJP NA NA +MJ072084 Withanone; 14?-Hydroxy C28H38O7 486.261753 NA MeJP NA NA +MJ072085 Withanone; 20-Hydroxy C28H38O7 486.261753 NA MeJP NA NA +MJ072086 Withaperuvin C C28H38O7 486.261753 NA MeJP NA NA +MJ072087 Withastramonolide C28H38O7 486.261753 NA MeJP NA NA +8129 peptide derived from dried bonito VPSGK 486.267 anticancer Inhouse_peptide NA peptide +HMDB11156 PA(20:4(5Z,8Z,11Z,14Z)e/2:0) C25H43O7P 486.274628 NA HMDB2010 NA NA +MJ072088 Virgaurin A; Di-Me ether C32H38O4 486.277009 NA MeJP NA NA +PJ002528 PDKK C21H38N6O7 486.2802 NA PeJP NA NA +MJ072089 8,13-Labdadiene-2,6,15,17,19-pentol, 6-O-?-L-Arabinopyranoside C25H42O9 486.282882 NA MeJP NA NA +MJ072090 Glycerol 1-alkanoates; Glycerol 1-O-(7Z,10Z,13Z-hexadecatrienoate), 3-O-?-D-Galactopyranoside C25H42O9 486.282882 NA MeJP NA NA +MJ072091 1-Mercapto-5-undecen-3-ol; Disulfide, di-O-Ac C26H46O4S2 486.283751 NA MeJP NA NA +PJ002529 SPKR C20H38N8O6 486.2915 NA PeJP NA NA +CJneg0626 Chenodeoxyglycocholic acid [(M+Cl)]- (13C) C2513CH43ClNO5 486.293125 C18rt(min)=8.86 Neg putatively characterized a Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0626 Chenodeoxyglycocholic acid [(M+Cl)]- (13C) C2513CH43ClNO5 486.293125 C18rt(min)=8.86 Neg putatively characterized a base_CJunot_PubAnalChem2012_NEG negative NA +C08176 Hydrocortisone cypionate C29H42O6 486.2981 NA KEGG NA NA +C08177 Transferred to D00977 C29H42O6 486.2981 NA KEGG NA NA +MJ072092 11,17,21-Trihydroxypregn-4-ene-3,20-dione, 21-(3-Cyclopentylpropanoyl) C29H42O6 486.298139 NA MeJP NA NA +MJ072093 3,12-Dihydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oic acid C29H42O6 486.298139 NA MeJP NA NA +MJ072094 3,16,24,28-Tetrahydroxystigmasta-7,9(11)-dien-21,23-olide C29H42O6 486.298139 NA MeJP NA NA +MJ072095 3,8,9-Trihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether, 3-(5-methyl-2E,4E,6E-dodecatrienoyl) C29H42O6 486.298139 NA MeJP NA NA +MJ072096 4-Formyl-8a-[[(hexahydro-3,7-dimethyl-2H-furo[2,3-c]pyran-5-yl)oxy]methyl]-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1H)-carboxylic acid C29H42O6 486.298139 NA MeJP NA NA +MJ072097 5-Labdene-15,16,18,19-tetrol, 16-(4-Hydroxycinnamoyl)(E-) C29H42O6 486.298139 NA MeJP NA NA +MJ072098 Isonahocol D1 C29H42O6 486.298139 NA MeJP NA NA +MJ072099 Kendomycin C29H42O6 486.298139 NA MeJP NA NA +MJ072100 Nahocol A C29H42O6 486.298139 NA MeJP NA NA +MJ072101 Petuniolide E C29H42O6 486.298139 NA MeJP NA NA +MJ072102 Scalarolbutenolide; 12,16-Diepimer, 12-Ac C29H42O6 486.298139 NA MeJP NA NA +MJ072103 Tubelactomicin A C29H42O6 486.298139 NA MeJP NA NA +MJ072104 Withaferin A; 2,3-Dihydro, 3?-methoxy, 27-deoxy C29H42O6 486.298139 NA MeJP NA NA +MJ072105 Zosterdiol A; 1',4'-Di-de-Me, 5-Ac C29H42O6 486.298139 NA MeJP NA NA +PJ002530 GVRR C19H38N10O5 486.3027 NA PeJP NA NA +PJ002531 LLLE C23H42N4O7 486.3054 NA PeJP NA NA +MJ072106 Antibiotic M 9026; Antibiotic M 9026-1 C28H42N2O5 486.309372 NA MeJP NA NA +MJ072107 Fenoxedil C28H42N2O5 486.309372 NA MeJP NA NA +MJ072108 Caryolanemagnolol C33H42O3 486.313395 NA MeJP NA NA +MJ072109 Clovanemagnolol C33H42O3 486.313395 NA MeJP NA NA +PJ002532 RRR C18H38N12O4 486.3139 NA PeJP NA NA +PJ002533 VLQK C22H42N6O6 486.3166 NA PeJP NA NA +MJ072110 13-Labdene-8,15,19-triol, 19-O-?-D-Glucopyranoside C26H46O8 486.319268 NA MeJP NA NA +MJ072111 14-Hydroxy-4,12-eicosadienoic acid; ?-D-Glucopyranosyl ester C26H46O8 486.319268 NA MeJP NA NA +MJ072112 27-Norcholestane-3,4,5,6,8,14,15,24-octol C26H46O8 486.319268 NA MeJP NA NA +MJ072113 8(17)-Labdene-6,15,19-triol, 15-O-?-D-Glucopyranoside C26H46O8 486.319268 NA MeJP NA NA +MJ072114 8-Hydroxy-15-labdanoic acid, 8-O-?-D-Glucopyranoside C26H46O8 486.319268 NA MeJP NA NA +MJ072115 Discarine F C27H42N4O4 486.320605 NA MeJP NA NA +MJ072116 Frangulanine; N-De-Me C27H42N4O4 486.320605 NA MeJP NA NA +MJ072117 Melonovine A C27H42N4O4 486.320605 NA MeJP NA NA +MJ072118 Myrianthine C C27H42N4O4 486.320605 NA MeJP NA NA +PJ002534 ALKR C21H42N8O5 486.3278 NA PeJP NA NA +C08972 Quillaic acid C30H46O5 486.3345 NA KEGG NA NA +C17461 Alisol C C30H46O5 486.3345 NA KEGG NA NA +C17764 Glabric acid C30H46O5 486.3345 NA KEGG NA NA +MJ072119 1,11-Dihydroxy-3-oxo-20(29)-lupen-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072120 1,3-Dihydroxy-23-oxocycloart-24-en-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072121 1,3-Dihydroxy-7-oxolanosta-8,24-dien-29-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072122 11,12-Epoxy-3,13,23-trihydroxy-28-oleananoic acid, 28?13-Lactone C30H46O5 486.334524 NA MeJP NA NA +MJ072123 12-Hydroxy-24-methyl-24-oxo-16-scalaren-25-al; 12?-form, 3-Hydroxybutanoyl C30H46O5 486.334524 NA MeJP NA NA +MJ072124 12-Oleanene-3,22,24,30-tetrol, 30-Carboxylic acid, 22-ketone C30H46O5 486.334524 NA MeJP NA NA +MJ072125 14,15,18,19-Tetrahydro-26,28-dihydroxyspiroirida-15,19-dienal C30H46O5 486.334524 NA MeJP NA NA +MJ072126 14,15-Dihydro-26,29-dihydroxyspiroirida-15(28),16-dienal C30H46O5 486.334524 NA MeJP NA NA +MJ072127 16,23-Epoxy-2,3,20-trihydroxycucurbita-5,24-dien-11-one C30H46O5 486.334524 NA MeJP NA NA +MJ072128 16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol C30H46O5 486.334524 NA MeJP NA NA +MJ072129 17,23-Epoxy-3,29-dihydroxylanost-9-en-26,23-olide C30H46O5 486.334524 NA MeJP NA NA +MJ072130 19,21-Dihydroxy-30-nor-3-oxo-20(29)-friedelen-27-oic acid, Me ester C30H46O5 486.334524 NA MeJP NA NA +MJ072131 19,23-Dihydroxy-3-oxo-12-ursen-28-oic acid; 19?-form C30H46O5 486.334524 NA MeJP NA NA +MJ072132 19,29-Dihydroxy-3-oxo-12-oleanen-28-oic acid; 19?-form C30H46O5 486.334524 NA MeJP NA NA +MJ072133 2,20-Dihydroxy-3-oxo-12-ursen-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072134 2,3,13,23-Tetrahydroxy-11-ursen-28-oic acid, 28?13 Lactone C30H46O5 486.334524 NA MeJP NA NA +MJ072135 2,3,13,24-Tetrahydroxy-11-ursen-28-oic acid, 28?13 Lactone C30H46O5 486.334524 NA MeJP NA NA +MJ072136 2,3,18-Trihydroxy-5,12-oleanadien-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072137 2,3,19-Trihydroxy-12-ursen-28-oic acid, 2-Ketone C30H46O5 486.334524 NA MeJP NA NA +MJ072138 2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-Ketone C30H46O5 486.334524 NA MeJP NA NA +MJ072139 2,3,21,23-Tetrahydroxy-12-oleanen-28-oic acid, 28?21 Lactone C30H46O5 486.334524 NA MeJP NA NA +MJ072140 2,3,23-Trihydroxy-11,13(18)-oleanadien-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072141 2,3,23-Trihydroxy-12,18-ursadien-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072142 2,3,23-Trihydroxy-12,19(29)-ursadien-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072143 2,3,23-Trihydroxy-12,20(30)-ursadien-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072144 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-Ketone C30H46O5 486.334524 NA MeJP NA NA +MJ072145 2,3,23-Trihydroxy-5,12-oleanadien-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072146 2,3,24-Trihydroxy-11,13(18)-oleanadien-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072147 2,3,24-Trihydroxy-12,20(30)-ursadien-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072148 2,3,24-Trihydroxy-12,27-cyclo-14-taraxeren-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072149 2,3,24-Trihydroxy-12-ursen-28-oic acid, 24-Aldehyde C30H46O5 486.334524 NA MeJP NA NA +MJ072150 2,3,24-Trihydroxy-13,27-cyclo-11-oleanen-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072151 2,3,30-Trihydroxy-12-oleanen-28-oic acid, 30-Aldehyde C30H46O5 486.334524 NA MeJP NA NA +MJ072152 2,3-Dihydroxy-11-oxo-12-oleanen-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072153 2,3-Dihydroxy-23-oxo-12-oleanen-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072154 2,3-Dihydroxy-23-oxo-12-ursen-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072155 20(29)-Lupene-3,23,28-triol; 3?-form, 23,28-Dicarboxylic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072156 20,24-Epoxy-6,25-dihydroxycycloartane-3,16-dione C30H46O5 486.334524 NA MeJP NA NA +MJ072157 20,30-Dihydroxy-3-oxo-29,21-lupanolide C30H46O5 486.334524 NA MeJP NA NA +MJ072158 22,23-Dihydroxy-3-oxo-17,22-seco-12,16-oleanadien-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072159 22,25-Epoxy-24-methylfurost-5-ene-3,20-diol, 3-Ac C30H46O5 486.334524 NA MeJP NA NA +MJ072160 22-Hydroxy-3,21-dioxo-29-nor-24-friedelanoic acid; 22?-form, Me ester C30H46O5 486.334524 NA MeJP NA NA +MJ072161 23-Oxo-3,4-secolanosta-4(28),7-diene-3,26-dioic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072162 24,25-Epoxy-1,29-dihydroxytirucall-7-ene-3,23-dione C30H46O5 486.334524 NA MeJP NA NA +MJ072163 24,25-Epoxy-11,23-dihydroxy-3-oxodammar-20(22)-en-19-al C30H46O5 486.334524 NA MeJP NA NA +MJ072164 24,25-Epoxy-3,15,23-trihydroxy-7-cycloarten-16-one C30H46O5 486.334524 NA MeJP NA NA +MJ072165 26-Hydroxy-13-oxaspiroirid-16-enal C30H46O5 486.334524 NA MeJP NA NA +MJ072166 27(13?18)-Abeo-3-hydroxy-14-taraxerene-28,29-dioic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072167 3,11,19,20-Tetrahydroxy-13(18)-ursen-28-oic acid, 28?20 Lactone C30H46O5 486.334524 NA MeJP NA NA +MJ072168 3,11,23-Trihydroxy-20(29)-lupen-28-oic acid, 23-Aldehyde C30H46O5 486.334524 NA MeJP NA NA +MJ072169 3,15,21,30-Tetrahydroxy-12-oleanen-28-oic acid, 28?15 Lactone C30H46O5 486.334524 NA MeJP NA NA +MJ072170 3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072171 3,16,21,30-Tetrahydroxy-12-oleanen-28-oic acid, 28?21-Lactone C30H46O5 486.334524 NA MeJP NA NA +MJ072172 3,16,22,28-Tetrahydroxy-12,18-ursadien-24-al C30H46O5 486.334524 NA MeJP NA NA +MJ072173 3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072174 3,16-Dihydroxy-23-oxo-13(18)-oleanen-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072175 3,18-Dihydroxy-11-oxo-12-oleanen-30-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072176 3,19,24-Trihydroxy-12-ursen-28-oic acid, 3-Ketone C30H46O5 486.334524 NA MeJP NA NA +MJ072177 3,21,23-Trihydroxy-12-oleanen-28-oic acid, 23-Aldehyde C30H46O5 486.334524 NA MeJP NA NA +MJ072178 3,21,24-Trihydroxy-11,13(18)-oleanadien-29-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072179 3,21,24-Trihydroxy-9(11),12-oleanadien-29-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072180 3,21-Dihydroxy-11-oxo-12-oleanen-29-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072181 3,23,29-Trihydroxy-12-oleanen-28-oic acid; 3?-form, 23-Aldehyde C30H46O5 486.334524 NA MeJP NA NA +MJ072182 3,23-Dihydroxy-22-oxo-12-oleanen-29-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072183 3,23-Dihydroxy-30-oxo-12-oleanen-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072184 3,24-Dihydroxy-11-oxo-12-oleanen-29-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072185 3,24-Dihydroxy-11-oxo-12-oleanen-30-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072186 3,24-Dihydroxy-16-oxo-12-oleanen-29-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072187 3,24-Dihydroxy-22-oxo-12-oleanen-29-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072188 3,25-Dihydroxyholost-9(11)-en-16-one C30H46O5 486.334524 NA MeJP NA NA +MJ072189 3,27-Dihydroxy-11-oxo-12-oleanen-28-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072190 3,27-Dihydroxy-20(29)-lupen-28-oic acid, 27-Carboxylic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072191 3,28-Dihydroxy-11-oxo-12-oleanen-30-oic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072192 3,29-Dihydroxy-12-oleanen-27-oic acid; 3?-form, 29-Carboxylic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072193 3,6,19-Trihydroxy-12-ursen-28-oic acid, 3-Ketone C30H46O5 486.334524 NA MeJP NA NA +MJ072194 3-Hydroxy-12-oleanene-23,28-dioic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072195 3-Hydroxy-12-oleanene-27,28-dioic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072196 3-Hydroxy-12-oleanene-28,29-dioic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072197 3-Hydroxy-12-oleanene-28,30-dioic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072198 3-Hydroxy-12-ursene-23,28-dioic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072199 3-Hydroxy-12-ursene-27,28-dioic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072200 3-Hydroxy-13(18)-oleanene-27,28-dioic acid; 3?-form C30H46O5 486.334524 NA MeJP NA NA +MJ072201 3-Hydroxy-18-oleanene-27,28-dioic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072202 3-Hydroxy-3,4-seco-4(24),12-oleanadiene-23,28-dioic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072203 5,6-Epoxy-3,11-dihydroxyergost-22-en-1-one, 11-Ac C30H46O5 486.334524 NA MeJP NA NA +MJ072204 5,6-Epoxy-3,11-dihydroxyergost-22-en-1-one, 22,23-Dihydro, 24,28-didehydro, 11-Ac C30H46O5 486.334524 NA MeJP NA NA +MJ072205 Acerinol C30H46O5 486.334524 NA MeJP NA NA +MJ072206 Acerionol C30H46O5 486.334524 NA MeJP NA NA +MJ072207 Alisol B; 16-Oxo C30H46O5 486.334524 NA MeJP NA NA +MJ072208 Belamcandal; O-de-Ac C30H46O5 486.334524 NA MeJP NA NA +MJ072209 Belamcandal; O-De-Ac C30H46O5 486.334524 NA MeJP NA NA +MJ072210 Ceanothic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072211 Celastolide C30H46O5 486.334524 NA MeJP NA NA +MJ072212 Cimiacerol C30H46O5 486.334524 NA MeJP NA NA +MJ072213 Cneorin NP32 C30H46O5 486.334524 NA MeJP NA NA +MJ072214 Cneorin NP34 C30H46O5 486.334524 NA MeJP NA NA +MJ072215 Cneorin NP38 C30H46O5 486.334524 NA MeJP NA NA +MJ072216 Cordialin A C30H46O5 486.334524 NA MeJP NA NA +MJ072217 Cordifolin A C30H46O5 486.334524 NA MeJP NA NA +MJ072218 Geumonoid C30H46O5 486.334524 NA MeJP NA NA +MJ072219 Glycyrrhiza Triterpene C30H46O5 486.334524 NA MeJP NA NA +MJ072220 Lantic acid; 22?-Hydroxy C30H46O5 486.334524 NA MeJP NA NA +MJ072221 Mimusopic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072222 Rosamultic acid C30H46O5 486.334524 NA MeJP NA NA +MJ072223 Sapelin C C30H46O5 486.334524 NA MeJP NA NA +MJ072224 Sapelin E C30H46O5 486.334524 NA MeJP NA NA +MJ072225 Skimmiarepin A; 3-Deacyl, 3-ketone C30H46O5 486.334524 NA MeJP NA NA +MJ072226 19,30-Tetratriacontadiene-2,4,6,17,33-pentayne-1,8,32-triol, 8-Deoxy C34H46O2 486.34978 NA MeJP NA NA +PJ002535 VLKK C23H46N6O5 486.353 NA PeJP NA NA +MJ072227 Batzelladine E C27H46N6O2 486.368224 NA MeJP NA NA +MJ072228 Dehydrobatzelladine C C27H46N6O2 486.368224 NA MeJP NA NA +MJ072229 1,3-Dihydroxy-24-methylenecycloartan-28-oic acid C31H50O4 486.37091 NA MeJP NA NA +MJ072230 2,3-Dihydroxy-12-oleanen-28-oic acid, Me ester C31H50O4 486.37091 NA MeJP NA NA +MJ072231 2,3-Dihydroxy-12-ursen-28-oic acid, 2-Me ether C31H50O4 486.37091 NA MeJP NA NA +MJ072232 2,3-Dihydroxy-12-ursen-28-oic acid, Me ester C31H50O4 486.37091 NA MeJP NA NA +MJ072233 24,25-Epoxy-3-hydroxylanost-9(11)-en-26-oic acid, Me ester C31H50O4 486.37091 NA MeJP NA NA +MJ072234 24-Methylenecycloart-25-ene-3,21,22,23-tetrol C31H50O4 486.37091 NA MeJP NA NA +MJ072235 3,15-Dihydroxy-24-methylenelanost-8-en-21-oic acid C31H50O4 486.37091 NA MeJP NA NA +MJ072236 3,16-Dihydroxy-24-methylenelanost-8-en-21-oic acid C31H50O4 486.37091 NA MeJP NA NA +MJ072237 3,19-Dihydroxy-12-ursen-28-oic acid, Me ester C31H50O4 486.37091 NA MeJP NA NA +MJ072238 3,22-Dihydroxy-12-oleanen-29-oic acid, Me ester C31H50O4 486.37091 NA MeJP NA NA +MJ072239 3,22-Dihydroxy-12-ursen-30-oic acid, Me ester C31H50O4 486.37091 NA MeJP NA NA +MJ072240 3,27-Dihydroxy-12-oleanen-28-oic acid, Me ester C31H50O4 486.37091 NA MeJP NA NA +MJ072241 3,27-Dihydroxy-20(29)-lupen-28-oic acid; 3?-form, Me ester C31H50O4 486.37091 NA MeJP NA NA +MJ072242 3,30-Dihydroxy-12-oleanen-29-oic acid, Me ester C31H50O4 486.37091 NA MeJP NA NA +MJ072243 3,7,25-Trihydroxycucurbita-5,23-dien-19-al, 25-Me ether C31H50O4 486.37091 NA MeJP NA NA +MJ072244 5,19-Epoxycucurbita-6,23-diene-3,19,25-triol, 19-Me ether C31H50O4 486.37091 NA MeJP NA NA +MJ072245 5,19-Epoxycucurbita-6,23-diene-3,19,25-triol, 25-Me ether C31H50O4 486.37091 NA MeJP NA NA +MJ072246 7,26-Epoxy-2,7-dihydro-?-cycloirid-16-enal C31H50O4 486.37091 NA MeJP NA NA +MJ072247 Cyclamiretin C; 30-Me ether C31H50O4 486.37091 NA MeJP NA NA +MJ072248 Cyclamiretin C; O30-Me C31H50O4 486.37091 NA MeJP NA NA +MJ072249 Iripallidal C31H50O4 486.37091 NA MeJP NA NA +MJ072250 Piceanonol A; 21-Epimer, O3-de-Me, 3-ketone, 21-Me ether C31H50O4 486.37091 NA MeJP NA NA +MJ072251 Polyporenic acid A C31H50O4 486.37091 NA MeJP NA NA +MJ072252 Pterosin A, 4-O-Hexadecanoyl C31H50O4 486.37091 NA MeJP NA NA +MJ072253 Quercinic acid C31H50O4 486.37091 NA MeJP NA NA +MJ072254 3,20-Diaminopregnan-4-ol, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl), O-Ac C30H50N2O3 486.382143 NA MeJP NA NA +MJ072255 3,20-Diaminopregnan-4-ol, N20,N20-Di-Me, N3-tigloyl, O-Ac C30H50N2O3 486.382143 NA MeJP NA NA +MJ072256 Buxidienine I; N20,N20-Di-Me, N3-(2-methylpropanoyl) C30H50N2O3 486.382143 NA MeJP NA NA +MJ072257 Cyclomicrophylline I; N-Tetra-Me, 31-Ac C30H50N2O3 486.382143 NA MeJP NA NA +MJ072258 15,22-Hopanediol; 15?-form, 15-Ac C32H54O3 486.407295 NA MeJP NA NA +MJ072259 16,22-Hopanediol; 16?-form, 16-Ac C32H54O3 486.407295 NA MeJP NA NA +MJ072260 17,21-Epoxy-3,16-hopanediol, 16-Et ether C32H54O3 486.407295 NA MeJP NA NA +MJ072261 20,24-Hopanediol; 20?-form, 20-Ac C32H54O3 486.407295 NA MeJP NA NA +MJ072262 25-Hydroxy-3,4-secocycloart-23-en-3-oic acid; 23E-form, 25-Me ether, Me ester C32H54O3 486.407295 NA MeJP NA NA +MJ072263 29-Hydroxy-18-methyl-4,27-hentriacontadiene-2,30-diynoic acid; 27,28-Dihydro C32H54O3 486.407295 NA MeJP NA NA +MJ072264 3,11-Ursanediol, 3-Ac C32H54O3 486.407295 NA MeJP NA NA +MJ072265 3,20-Lupanediol, 3-Ac C32H54O3 486.407295 NA MeJP NA NA +MJ072266 3,21-Friedelanediol, 21-Ac C32H54O3 486.407295 NA MeJP NA NA +MJ072267 3,22-Hopanediol, 3-Ac C32H54O3 486.407295 NA MeJP NA NA +MJ072268 3,22-Stictanediol, 3-Ac C32H54O3 486.407295 NA MeJP NA NA +MJ072269 3,29-Friedelanediol, 29-Ac C32H54O3 486.407295 NA MeJP NA NA +MJ072270 3,29-Friedelanediol, 3-Ac C32H54O3 486.407295 NA MeJP NA NA +MJ072271 3,4-Seco-4(23)-stictene-3,22-diol; 22?-form, 3-Ac C32H54O3 486.407295 NA MeJP NA NA +MJ072272 3-(4-Hydroxyphenyl)-2-propenoic acid, Tricosyl ester C32H54O3 486.407295 NA MeJP NA NA +MJ072273 6,22-Hopanediol; 6?-form, 6-Ac C32H54O3 486.407295 NA MeJP NA NA +MJ072274 7,22-Hopanediol, 7-Ac C32H54O3 486.407295 NA MeJP NA NA +MJ072275 Glycerol 1-alkanoates; Glycerol 1-(26-hydroxyhexacosanoate) C29H58O5 486.428424 NA MeJP NA NA +MJ072276 2,6,10-Farnesatrien-1-ol, 9-Octadecenoyl C33H58O2 486.443681 NA MeJP NA NA +MJ072277 24,25-Dimethyllanost-9(11)-ene-3,24-diol, 3-Me ether C33H58O2 486.443681 NA MeJP NA NA +MJ072278 7-Drimen-11-ol, O-(9-Octadecenoyl) C33H58O2 486.443681 NA MeJP NA NA +8300 ACE inhibitor EKERERQ 486.74 MH2+ Inhouse_peptide NA peptide +PJ002536 GCCCC C14H25N5O6S4 487.0688 NA PeJP NA NA +MJ072279 CDPcholine C15H27N3O11P2 487.112081 NA MeJP NA NA +C02555 Luciferyl sulfate C26H21N3O5S 487.1202 NA KEGG NA NA +C02556 Mercurial reagent C26H21N3O5S 487.1202 NA KEGG NA NA +MJ072280 Lamellarin H; 5,6-Dihydro, 9,20-di-Me ether C27H21NO8 487.126716 NA MeJP NA NA +MJ072281 Pancratistatin, O2-?-D-Glucopyranoside C20H25NO13 487.132589 NA MeJP NA NA +MJ072282 Rebeccamycin; Bis(dechloro), O-de-Me C26H21N3O7 487.13795 NA MeJP NA NA +PJ002537 CNDH C17H25N7O8S 487.1486 NA PeJP NA NA +MJ072283 Phosmidosine; 1''-N-Me C17H26N7O8P 487.158047 NA MeJP NA NA +C13760 YC 170 C28H26ClN3O3 487.1663 NA KEGG NA NA +PJ002538 GPPCD C19H29N5O8S 487.1737 NA PeJP NA NA +MJ072284 Spiruchostatin B C21H33N3O6S2 487.181077 NA MeJP NA NA +MJ072285 Crebanine, O9-De-Me, O-?-D-glucopyranoside C25H29NO9 487.184231 NA MeJP NA NA +PJ002539 SNMH C18H29N7O7S 487.1849 NA PeJP NA NA +MJ072286 Gymnastatin C; 7-Epimer, 10-deoxy, 9,10-didehydro C24H35Cl2NO5 487.189228 NA MeJP NA NA +MJ072287 2-Amino-2-deoxy-?-D-glucopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-L-rhamnose C18H33NO14 487.190104 NA MeJP NA NA +MJ072288 ?-L-Fucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-galactose C18H33NO14 487.190104 NA MeJP NA NA +MJ072289 ?-L-Fucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-glucose C18H33NO14 487.190104 NA MeJP NA NA +MJ072290 ?-L-Fucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?4)-2-amino-2-deoxy-D-glucose C18H33NO14 487.190104 NA MeJP NA NA +MJ072291 ?-L-Fucopyranosyl-(1?3)-[?-D-galactopyranosyl-(1?4)]-2-amino-2-deoxy-D-glucose C18H33NO14 487.190104 NA MeJP NA NA +MJ072292 ?-L-Fucopyranosyl-(1?4)-[?-D-galactopyranosyl-(1?3)]-2-amino-2-deoxy-D-glucose C18H33NO14 487.190104 NA MeJP NA NA +PJ002540 PNEE C19H29N5O10 487.1915 NA PeJP NA NA +C15674 Myxothiazol A C25H33N3O3S2 487.1963 NA KEGG NA NA +MJ072293 Myxothiazole C25H33N3O3S2 487.196333 NA MeJP NA NA +MJ072294 Cardiopetamine; O15-Ac, 13-ketone C29H29NO6 487.199487 NA MeJP NA NA +PJ002541 GSSTH C18H29N7O9 487.2027 NA PeJP NA NA +PJ002542 GPEW C23H29N5O7 487.2067 NA PeJP NA NA +8052 synthetic peptide PWW 487.21 antioxidative Inhouse_peptide NA peptide +PJ002543 GSPPM C20H33N5O7S 487.2101 NA PeJP NA NA +MJ072295 ?-[4-(3H-Imidazo[4,5-c]pyridin-3-ylmethyl)-2,6-dipropylphenoxy]-1,3-benzodioxole-5-acetic acid C28H29N3O5 487.210721 NA MeJP NA NA +PJ002544 GQHF C22H29N7O6 487.218 NA PeJP NA NA +PJ002545 TCKH C19H33N7O6S 487.2213 NA PeJP NA NA +PJ002546 PWW C27H29N5O4 487.222 NA PeJP NA NA +PJ002547 SSPPT C20H33N5O9 487.2278 NA PeJP NA NA +MJ072296 Goralatide C20H33N5O9 487.227827 NA MeJP NA NA +PJ002548 PDKE C20H33N5O9 487.2279 NA PeJP NA NA +MJ072297 Antibiotic A 2315C C25H33N3O7 487.23185 NA MeJP NA NA +MJ072298 Pokepola ester C23H38NO8P 487.233503 NA MeJP NA NA +PJ002549 SPER C19H33N7O8 487.2391 NA PeJP NA NA +PJ002550 SPVW C24H33N5O6 487.2431 NA PeJP NA NA +PJ002551 PLQM C21H37N5O6S 487.2465 NA PeJP NA NA +PJ002552 GQQR C18H33N9O7 487.2503 NA PeJP NA NA +PJ002553 GKHF C23H33N7O5 487.2543 NA PeJP NA NA +MJ072299 Alkaloid GB11; 14-Me ether, O16-Ac C27H37NO7 487.257002 NA MeJP NA NA +MJ072300 Geyerinine C27H37NO7 487.257002 NA MeJP NA NA +MJ072301 Yuzurimine C27H37NO7 487.257002 NA MeJP NA NA +PJ002554 PCLR C20H37N7O5S 487.2577 NA PeJP NA NA +PJ002555 VLQE C21H37N5O8 487.2642 NA PeJP NA NA +EUR730 Lyso PC 14:1 [M+Na]+ C22H44NO7P 487.267488 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR730 Lyso PC 14:1 [M+Na]+ C22H44NO7P 487.267488 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR730 Lyso PC 14:1 [M+Na]+ C22H44NO7P 487.267488 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR730 Lyso PC 14:1 [M+Na]+ C22H44NO7P 487.267488 masses lipides attendues Inhousejuil11 NA NA +MJ072302 Madumycin II; 13-Deoxy C26H37N3O6 487.268235 NA MeJP NA NA +EUR881 Lyso PE 20:4 [M-H-CH3]- C25H44NO7P 487.269892 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR881 Lyso PE 20:4 [M-H-CH3]- C25H44NO7P 487.269892 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR881 Lyso PE 20:4 [M-H-CH3]- C25H44NO7P 487.269892 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR881 Lyso PE 20:4 [M-H-CH3]- C25H44NO7P 487.269892 masses lipides attendues Inhousejuil11 NA NA +PJ002556 ALER C20H37N7O7 487.2755 NA PeJP NA NA +PJ002557 GLLW C25H37N5O5 487.2795 NA PeJP NA NA +PJ002558 PLKM C22H41N5O5S 487.2829 NA PeJP NA NA +PJ002559 GQKR C19H37N9O6 487.2867 NA PeJP NA NA +MJ072303 Nephilatoxin 11 C24H37N7O4 487.290702 NA MeJP NA NA +7808 ACE inhibitor from caprine b-Lg LVRT 487.3 ACE inhibitor Inhouse_peptide NA peptide +MJ072304 Amastatins; Amastatin B1 C22H41N5O7 487.300598 NA MeJP NA NA +PJ002560 VLKE C22H41N5O7 487.3006 NA PeJP NA NA +MJ072305 Penoctonium(1+); Bromide C26H50BrNO2 487.302492 NA MeJP NA NA +MJ072306 Antibiotic Sch 58149 C27H41N3O5 487.304621 NA MeJP NA NA +MJ072307 Beauveriolide I C27H41N3O5 487.304621 NA MeJP NA NA +MJ072308 Beauverolide H C27H41N3O5 487.304621 NA MeJP NA NA +MJ072309 Cordycepeptide A C27H41N3O5 487.304621 NA MeJP NA NA +MJ072310 Oteromycin C32H41NO3 487.308644 NA MeJP NA NA +MJ072311 Sulpinine B C32H41NO3 487.308644 NA MeJP NA NA +PJ002561 SLLR C21H41N7O6 487.3119 NA PeJP NA NA +PJ002562 GKKR C20H41N9O5 487.3231 NA PeJP NA NA +MJ072312 Ambruticin VS 5; N-Me C29H45NO5 487.329773 NA MeJP NA NA +MJ072313 Cassaine; O-(3-Methyl-2-butenoyl) C29H45NO5 487.329773 NA MeJP NA NA +MJ072314 Piericidin; Piericidin A4, 10'-Me ether, 11',12'-epoxide C29H45NO5 487.329773 NA MeJP NA NA +MJ072315 Spirost-5-ene-3,12,23-triol, 23-Ac C29H45NO5 487.329773 NA MeJP NA NA +MJ072316 3,5-Acarnidine; N-Dedodecanoyl, N-(5Z,8Z,11Z-tetradecatrienoyl) C28H49N5O2 487.388625 NA MeJP NA NA +MJ072317 2-Aminobenzoic acid; N-Docosanoyl, Et ester C31H53NO3 487.402544 NA MeJP NA NA +MJ072318 4-(2-Aminoethyl)phenol; N-Tetracosanoyl C32H57NO2 487.43893 NA MeJP NA NA +MetaCyc03698 chlordecone alcohol [] C10H2O1CL10 487.699092 NA metacyc NA NA +HMDB01219 Chlordecone alcohol C10H2Cl10O 487.699097 NA HMDB2010 NA NA +HMDB01219 Chlordecone alcohol C10H2Cl10O 487.6991 http://www.hmdb.ca/metabolites/HMDB01219 HMDB NA NA +C02817 Chlordecone alcohol C10H2Cl10O 487.6991 NA KEGG NA NA +C02820 Complement factor B C10H2Cl10O 487.6991 NA KEGG NA NA +HMDB01219 Chlordecone alcohol C10H2Cl10O 487.6991 HMDB01219 PFEM_hmdb_metabocards_official NA NA +MJ072319 Tiametonium(2+); Diiodide C12H30I2N2S 488.021906 NA MeJP NA NA +MJ072320 Iron(III) ammonium citrate C12H22FeN3O14 488.045119 NA MeJP NA NA +MJ072321 Oganomycin GH C17H20N4O7S3 488.049411 NA MeJP NA NA +MJ072322 Chicoric acid, 3-Me ether C23H20O12 488.095476 NA MeJP NA NA +MJ072323 Tetracenomycin C; 5-Hydroxy C23H20O12 488.095476 NA MeJP NA NA +C00307 CDP-choline C14H26N4O11P2 488.1073 NA KEGG NA NA +MJ072324 Cytidine diphosphate choline C14H26N4O11P2 488.10733 NA MeJP NA NA +HMDB01413 Citicoline C14H26N4O11P2 488.10733 NA HMDB2010 NA NA +MJ072325 3,4,6,7-Tetrahydro-4,7,10,15,16-pentahydroxy-8-methoxy-3-methyl-1H-naphtho[2',3':6,7]phenanthro[3,2-c]pyran-1,9,14-trione; 4-Deoxy C27H20O9 488.110732 NA MeJP NA NA +MJ072326 Antibiotic WS 79089B; ?-Lactone C27H20O9 488.110732 NA MeJP NA NA +MJ072327 Protocercosporin C27H20O9 488.110732 NA MeJP NA NA +MJ072328 Tipifarnib C27H22Cl2N4O 488.117066 NA MeJP NA NA +MJ072329 Glicetanile C23H25ClN4O4S 488.128503 NA MeJP NA NA +MJ072330 Dendroamide A C21H24N6O4S2 488.130044 NA MeJP NA NA +FL3FA8GS0005 Echioidinin 2'-(6''-acetylglucoside);5,2'-Dihydroxy-7-methoxyflavone 2'-(6''-acetylglucoside);2-[2-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]phenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C24H24O11 488.13186 497918-32-8 knapsack NA NA +FL3FABGS0008 Acacetin 7-(2''-acetylglucoside) C24H24O11 488.13186 78886-64-3 knapsack NA NA +FL3FABGS0013 Acacetin 7-(6''-acetylglucoside) C24H24O11 488.13186 76410-61-2 knapsack NA NA +FL3FCACS0006 Isoswertisin 2''-acetate C24H24O11 488.13186 51693-99-3 knapsack NA NA +FLID1CGS0004 Trifolirhizin 6'-monoacetate;6'-O-Acetyltrifolirhizin C24H24O11 488.13186 60679-70-1 knapsack NA NA +MJ072331 4',6,7-Trihydroxyisoflavone; 6-Me ether, 7-O-(6-O-acetyl-?-D-glucopyranoside) C24H24O11 488.131861 NA MeJP NA NA +MJ072332 5,7-Dihydroxy-4'-methoxyflavone; 7-O-(2-O-Acetyl-?-D-glucopyranoside) C24H24O11 488.131861 NA MeJP NA NA +MJ072333 5,7-Dihydroxy-4'-methoxyflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) C24H24O11 488.131861 NA MeJP NA NA +MJ072334 Maackiain, O-(6-O-Acetyl-?-D-glucopyranoside) C24H24O11 488.131861 NA MeJP NA NA +MJ072335 Phrymarolin II; 6'-Methoxy C24H24O11 488.131861 NA MeJP NA NA +MJ072336 Vitexin; 7-Me ether, 2''-Ac C24H24O11 488.131861 NA MeJP NA NA +C10737 Phrymarolin I C24H24O11 488.1319 NA KEGG NA NA +PJ002563 CDDH C17H24N6O9S 488.1326 NA PeJP NA NA +MJ072337 Tralonide C24H28Cl2F2O4 488.133271 NA MeJP NA NA +PJ002564 TCCY C19H28N4O7S2 488.14 NA PeJP NA NA +MJ072338 2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1,1',4-Tribenzoyl C28H24O8 488.147117 NA MeJP NA NA +MJ072339 Bisosthenon C28H24O8 488.147117 NA MeJP NA NA +MJ072340 Cassigarol A C28H24O8 488.147117 NA MeJP NA NA +MJ072341 Gnetuhainin D C28H24O8 488.147117 NA MeJP NA NA +MJ072342 Grandifloracin C28H24O8 488.147117 NA MeJP NA NA +MJ072343 Khelmarin B C28H24O8 488.147117 NA MeJP NA NA +MJ072344 Khelmarin D C28H24O8 488.147117 NA MeJP NA NA +MJ072345 ?-Viniferin, 7R*,8R*-Dihydroxy, 7,8-dihydro C28H24O8 488.147117 NA MeJP NA NA +MJ072346 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 4'-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C21H28O13 488.15299 NA MeJP NA NA +MJ072347 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, [?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl] ester C21H28O13 488.15299 NA MeJP NA NA +MJ072348 6-O-?-L-Rhamnopyranosyl-D-glucose; ?-Pyranose-form, 1-O-(3,4-Dihydroxycinnamoyl)(E-) C21H28O13 488.15299 NA MeJP NA NA +MJ072349 Evodoulone C26H29ClO7 488.16018 NA MeJP NA NA +MJ072350 Dracorubin C32H24O5 488.162373 NA MeJP NA NA +C09726 Dracorubin C32H24O5 488.1624 NA KEGG NA NA +C04767 O-1,4-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate C14H29N6O11P 488.1632 NA KEGG NA NA +C04768 [Hydroxymethylglutaryl-CoA reductase (NADPH)] phosphate C4H7N2O6PR2 488.1632 NA KEGG NA NA +MJ072351 Bipinnatin B; 11,12-Deepoxy(Z-), 17-carboxylic acid, Me ester C25H28O10 488.168247 NA MeJP NA NA +MJ072352 Egonol; O-?-D-Glucopyranoside C25H28O10 488.168247 NA MeJP NA NA +MJ072353 Isovernozanzibarolide C25H28O10 488.168247 NA MeJP NA NA +MJ072354 Podorhizol, 5'-Methoxy, Ac C25H28O10 488.168247 NA MeJP NA NA +MJ072355 Vernozanzibarolide C25H28O10 488.168247 NA MeJP NA NA +PJ002565 SDMH C18H28N6O8S 488.169 NA PeJP NA NA +PJ002566 GCFY C23H28N4O6S 488.173 NA PeJP NA NA +MJ072356 6-Deoxy-?-D-glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-glucose C18H32O15 488.17412 NA MeJP NA NA +MJ072357 ?-D-Galactopyranosyl-(1?6)-?-D-mannopyranosyl-(1?4)-L-rhamnose C18H32O15 488.17412 NA MeJP NA NA +MJ072358 ?-D-Mannopyranosyl-(1?4)-?-D-galactopyranosyl-(1?4)-L-rhamnose C18H32O15 488.17412 NA MeJP NA NA +MJ072359 ?-D-Mannopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-D-galactose C18H32O15 488.17412 NA MeJP NA NA +MJ072360 ?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-galactose C18H32O15 488.17412 NA MeJP NA NA +MJ072361 Gracillimatriose C18H32O15 488.17412 NA MeJP NA NA +MJ072362 Solatriose C18H32O15 488.17412 NA MeJP NA NA +MJ072363 ?-D-Galactopyranosyl-(1?2)-?-D-mannopyranosyl-(1?4)-L-rhamnose C18H32O15 488.17412 NA MeJP NA NA +MJ072364 ?-D-Galactopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-L-rhamnose C18H32O15 488.17412 NA MeJP NA NA +MJ072365 ?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-L-rhamnose C18H32O15 488.17412 NA MeJP NA NA +MJ072366 ?-D-Glucopyranosyl-(1?3)-?-D-galactopyranosyl-(1?2)-L-rhamnose C18H32O15 488.17412 NA MeJP NA NA +MJ072367 ?-D-Mannopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-D-galactose C18H32O15 488.17412 NA MeJP NA NA +MJ072368 ?-L-Fucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?4)-D-glucose C18H32O15 488.17412 NA MeJP NA NA +MJ072369 ?-L-Fucopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-D-glucose C18H32O15 488.17412 NA MeJP NA NA +MJ072370 ?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-D-glucose C18H32O15 488.17412 NA MeJP NA NA +MJ072371 ?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-D-galactose C18H32O15 488.17412 NA MeJP NA NA +MJ072372 ?-L-Rhamnopyranosyl-(1?6)-[?-D-glucopyranosyl-(1?2)]-D-glucose C18H32O15 488.17412 NA MeJP NA NA +HMDB02094 3-Fucosyllactose C18H32O15 488.17413 http://www.hmdb.ca/metabolites/HMDB02094 HMDB NA NA +HMDB02098 2-Fucosyllactose C18H32O15 488.17413 http://www.hmdb.ca/metabolites/HMDB02098 HMDB NA NA +HMDB06601 B-Trisaccharide C18H32O15 488.17413 http://www.hmdb.ca/metabolites/HMDB06601 HMDB NA NA +HMDB06620 Fucosyllactose C18H32O15 488.17413 http://www.hmdb.ca/metabolites/HMDB06620 HMDB NA NA +HMDB02094 3-Fucosyllactose C18H32O15 488.17413 HMDB02094 PFEM_hmdb_metabocards_official NA NA +HMDB02098 2-Fucosyllactose C18H32O15 488.17413 HMDB02098 PFEM_hmdb_metabocards_official NA NA +HMDB06601 B-Trisaccharide C18H32O15 488.17413 HMDB06601 PFEM_hmdb_metabocards_official NA NA +HMDB06620 Fucosyllactose C18H32O15 488.17413 HMDB06620 PFEM_hmdb_metabocards_official NA NA +HMDB02094 3-Fucosyllactose C18H32O15 488.174133 NA HMDB2010 NA NA +HMDB02098 2-Fucosyllactose C18H32O15 488.174133 NA HMDB2010 NA NA +HMDB06601 B-Trisaccharide C18H32O15 488.174133 NA HMDB2010 NA NA +HMDB06620 Fucosyllactose C18H32O15 488.174133 NA HMDB2010 NA NA +PJ002567 PDEE C19H28N4O11 488.1755 NA PeJP NA NA +MJ072373 11,12-Methylenedioxykopsinaline; 21-Hydroxy, N-methoxycarbonyl, N4-oxide C24H28N2O9 488.17948 NA MeJP NA NA +MJ072374 Israpafant C28H29ClN4S 488.180145 NA MeJP NA NA +MJ072375 Leucettamidine C25H24N6O5 488.180817 NA MeJP NA NA +MJ072376 Arenarin B C29H28O7 488.183503 NA MeJP NA NA +PJ002568 GSPND C18H28N6O10 488.1867 NA PeJP NA NA +PJ002569 AMMH C19H32N6O5S2 488.1876 NA PeJP NA NA +MJ072377 2-Methoxy-4-(2-propenyl)phenol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C22H32O12 488.189376 NA MeJP NA NA +PJ002570 GSYY C23H28N4O8 488.1907 NA PeJP NA NA +MJ072378 Biphenomycin A C23H28N4O8 488.190713 NA MeJP NA NA +PJ002571 NNNQ C17H28N8O9 488.1979 NA PeJP NA NA +PJ002572 GGGGNQ C17H28N8O9 488.198 NA PeJP NA NA +MJ072379 O-1,4-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate C15H33N6O10P 488.199577 NA MeJP NA NA +PJ002573 GEHF C22H28N6O7 488.202 NA PeJP NA NA +C08768 Ichangin C26H32O9 488.2046 NA KEGG NA NA +C16717 Limonoate D-ring-lactone C26H32O9 488.2046 NA KEGG NA NA +C16718 Limonoate A-ring-lactone C26H32O9 488.2046 NA KEGG NA NA +MJ072380 3,3',4,4',5,9,9'-Heptahydroxylignan, 3',4'-Methylene, 3,4,5-tri-Me ether, 9,9'-di-Ac C26H32O9 488.204632 NA MeJP NA NA +MJ072381 Bryotoxin B C26H32O9 488.204632 NA MeJP NA NA +MJ072382 Butyrylmallotolerin C26H32O9 488.204632 NA MeJP NA NA +MJ072383 Estra-1,3,5(10)-triene-3,16,17-triol, 16,17-Bis(3-carboxypropanoyl) C26H32O9 488.204632 NA MeJP NA NA +MJ072384 Ichangin C26H32O9 488.204632 NA MeJP NA NA +MJ072385 Isolimonic acid; 16?17-Lactone C26H32O9 488.204632 NA MeJP NA NA +MJ072386 Isomallotolerin C26H32O9 488.204632 NA MeJP NA NA +MJ072387 Obacunol; 7-Ketone, 1,2-dihydro, 1?,11?-dihydroxy C26H32O9 488.204632 NA MeJP NA NA +MJ072388 Terretonin C26H32O9 488.204632 NA MeJP NA NA +PJ002574 TTMH C19H32N6O7S 488.2053 NA PeJP NA NA +PJ002575 GGGAPM C19H32N6O7S 488.2054 NA PeJP NA NA +3374 ACE inhibitor (from bovine as1-CN) PFPE 488.214 celiac toxic Inhouse_peptide NA peptide +MJ072389 Kopsinaline; 11,12-Dimethoxy, N-(methoxycarbonyl), N4-oxide C25H32N2O8 488.215866 NA MeJP NA NA +PJ002576 PCNR C18H32N8O6S 488.2166 NA PeJP NA NA +PJ002577 HFW C26H28N6O4 488.2172 NA PeJP NA NA +FL2FA9NC0011 Epilumaflavanone B;Lumaflavanone A C30H32O6 488.21988 424838-51-7 knapsack NA NA +FL2FA9NC0012 Epilumaflavanone A;Lumaflavanone B C30H32O6 488.21988 424838-72-2 knapsack NA NA +FL2FACNP0005 Amorin C30H32O6 488.21988 119347-09-0 knapsack NA NA +FL2FALNP0007 Flemichin A C30H32O6 488.21988 54302-59-9 knapsack NA NA +FL2FALNP0014 Euchrenone a11 C30H32O6 488.21988 137319-40-5 knapsack NA NA +FL2FALNP0015 Euchrenone a12 C30H32O6 488.21988 137319-41-6 knapsack NA NA +FL3FALNP0009 Rubraflavone D C30H32O6 488.21988 54835-66-4 knapsack NA NA +FL3FALNP0019 (-)-Sanggenone K;Sanggenone K;(-)-5,7-Dihydroxy-2-[5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-8-yl]-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C30H32O6 488.21988 86450-77-3 knapsack NA NA +FL3FRNNR0004 Artelastin;3,8,10-Trihydroxy-9,11-bis(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one C30H32O6 488.21988 182052-05-7 knapsack NA NA +FL5FA9NP0003 Dorsilurin C;2-(2,2-Dimethyl-2H-1-benzopyran-7-yl)-3,5,7-trihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C30H32O6 488.21988 254101-15-0 knapsack NA NA +MJ072390 Amorin C30H32O6 488.219888 NA MeJP NA NA +MJ072391 Artelastin C30H32O6 488.219888 NA MeJP NA NA +MJ072392 Dorsilurin C C30H32O6 488.219888 NA MeJP NA NA +MJ072393 Euchrenone a11 C30H32O6 488.219888 NA MeJP NA NA +MJ072394 Euchrenone a12 C30H32O6 488.219888 NA MeJP NA NA +MJ072395 Euchrenone b16 C30H32O6 488.219888 NA MeJP NA NA +MJ072396 Flemichin A C30H32O6 488.219888 NA MeJP NA NA +MJ072397 Flemiphilippinin A C30H32O6 488.219888 NA MeJP NA NA +MJ072398 Fruticolide C30H32O6 488.219888 NA MeJP NA NA +MJ072399 Isoamorin C30H32O6 488.219888 NA MeJP NA NA +MJ072400 Kanzonol L C30H32O6 488.219888 NA MeJP NA NA +MJ072401 Rubraflavone D C30H32O6 488.219888 NA MeJP NA NA +MJ072402 Sanggenon J C30H32O6 488.219888 NA MeJP NA NA +MJ072403 Sanggenon K C30H32O6 488.219888 NA MeJP NA NA +MJ072404 Vardenafil C23H32N6O4S 488.220574 NA MeJP NA NA +PJ002578 VNQE C19H32N6O9 488.2231 NA PeJP NA NA +8245 Antioxidative peptide GWNI 488.2269 NA ;SYN:(+)-Aspartate; (+)-Aspartic acid; (2S)-Aspartate; (2S)-Aspartic acid; (L)-Aspartate; (L)-Aspartic acid; (R)-2-aminosuccinate; (S)-(+)-Aspartate; (S)-(+)-Aspartic acid; (S)-2-aminosuccinate; (S)-2-aminosuccinic acid; (S)-Aminobutanedioate; (S)-Aminobutanedioic acid; (S)-Aspartate; (S)-Aspartic acid; (S)-amino-Butanedioate; (S)-amino-Butanedioic acid; 2-Amino-3-methylsuccinate; 2-Amino-3-methylsuccinic acid; 2-Aminosuccinate; 2-Aminosuccinic acid; Aminosuccinate; Asp; Asparagate; Asparagic acid; Asparaginate; Asparaginic acid; Asparatate; Aspartate; H-Asp-OH; L-(+)-Aspartate; L-(+)-Aspartic acid; L-Aminosuccinate; L-Aminosuccinic acid; L-Asparagate; L-Asparagic acid; L-Asparaginate; L-Asparaginic acid; L-Aspartate; alpha-Aminosuccinate; alpha-Aminosuccinic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +MJ072405 Cepaciachelin C24H32N4O7 488.227099 NA MeJP NA NA +PJ002579 PPEF C24H32N4O7 488.2271 NA PeJP NA NA +PJ002580 PLEM C21H36N4O7S 488.2305 NA PeJP NA NA +MJ072406 Tetraphyllicine; N-De-Me, O-(3,4,5-trimethoxybenzoyl) C29H32N2O5 488.231122 NA MeJP NA NA +PJ002581 GQER C18H32N8O8 488.2343 NA PeJP NA NA +PJ002582 GGGGGGK C18H32N8O8 488.2344 NA PeJP NA NA +8081 synthetic peptide RWQ 488.238 inhibitor Inhouse_peptide NA peptide +PJ002583 GVQW C23H32N6O6 488.2384 NA PeJP NA NA +EUR458 Dehydrotestosterone glucuronide F3 F3 488.240575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR458 Dehydrotestosterone glucuronide F3 NA 488.240575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR458 Dehydrotestosterone glucuronide F3 F3 488.240575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR458 Dehydrotestosterone glucuronide F3 NA 488.240575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR458 Dehydrotestosterone glucuronide F3 F3 488.240575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR458 Dehydrotestosterone glucuronide F3 NA 488.240575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR458 Dehydrotestosterone glucuronide F3 F3 488.240575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR458 Déhydrotestosterone glucuronide F3 F3 488.240575 standards wishlist analysés sur QTOF HMDB NA NA +EUR458 Dehydrotestosterone glucuronide F3 F3 488.240575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR458 Dehydrotestosterone glucuronide F3 NA 488.240575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR458 Dehydrotestosterone glucuronide F3 F3 488.240575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR458 Dehydrotestosterone glucuronide F3 F3 488.240575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ072407 2,13,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 2-Propanoyl, 13,14-di-Ac C27H36O8 488.241018 NA MeJP NA NA +MJ072408 2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 19-Tigloyl, 6-Ac C27H36O8 488.241018 NA MeJP NA NA +MJ072409 2,9,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 2-Propanoyl, 9,14-di-Ac C27H36O8 488.241018 NA MeJP NA NA +MJ072410 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Tigloyl, 12-Ac C27H36O8 488.241018 NA MeJP NA NA +MJ072411 8,10,11-Trihydroxy-3-guaien-12,6-olide, 8,11-Diangeloyl, 10-Ac C27H36O8 488.241018 NA MeJP NA NA +MJ072412 8-Daucene-2,4,6,10-tetrol, 6-(4-Methoxybenzoyl), 2,10-di-Ac C27H36O8 488.241018 NA MeJP NA NA +MJ072413 Clausenolide; 1-Et ether C27H36O8 488.241018 NA MeJP NA NA +MJ072414 Cryptochlorophaeic acid; 4,4'-Di-Me ether C27H36O8 488.241018 NA MeJP NA NA +MJ072415 Entilin A C27H36O8 488.241018 NA MeJP NA NA +MJ072416 Prednicarbate C27H36O8 488.241018 NA MeJP NA NA +MJ072417 Simarinolide C27H36O8 488.241018 NA MeJP NA NA +PJ002584 PNKM C20H36N6O6S 488.2417 NA PeJP NA NA +MJ072418 Cyclo(phenylalanylprolylphenylalanylprolyl) C28H32N4O4 488.242355 NA MeJP NA NA +MJ072419 Roccanin C28H32N4O4 488.242355 NA MeJP NA NA +HMDB02421 7-Sulfocholic acid C24H40O8S 488.24438 http://www.hmdb.ca/metabolites/HMDB02421 HMDB NA NA +HMDB02421 7-Sulfocholic acid C24H40O8S 488.24438 HMDB02421 PFEM_hmdb_metabocards_official NA NA +HMDB02421 7-Sulfocholic acid C24H40O8S 488.244385 NA HMDB2010 NA NA +MJ072420 1,21-Heneicosanediol; Di-O-sulfate C21H44O8S2 488.247759 NA MeJP NA NA +MJ072421 Antibiotic TMC 89A C21H36N4O9 488.248228 NA MeJP NA NA +PJ002585 VLEE C21H36N4O9 488.2483 NA PeJP NA NA +MJ072422 Pyroglutamylglycylargininylphenylalaninamide; L-L-L-L-form C22H32N8O5 488.249566 NA MeJP NA NA +PJ002586 QRW C22H32N8O5 488.2496 NA PeJP NA NA +MJ072423 Ajmaline; 21-O-?-D-Glucopyranoside C26H36N2O7 488.252251 NA MeJP NA NA +2607 synthetic peptide inhibitors of (PEP) LYPFVEPI 488.2565 MH2+ Inhouse_peptide NA peptide +PJ002587 VNKE C20H36N6O8 488.2595 NA PeJP NA NA +MJ072424 3,3-Dimethylbicyclo[2.2.1]heptane-2-methanol, O-[3,5-Isopropylidene-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C24H40O10 488.262147 NA MeJP NA NA +MJ072425 4,7-Megastigmadien-9-ol, O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C24H40O10 488.262147 NA MeJP NA NA +MJ072426 Antibiotic MR 387A; 4-Deoxy C25H36N4O6 488.263484 NA MeJP NA NA +PJ002588 PPLY C25H36N4O6 488.2635 NA PeJP NA NA +PJ002589 GKER C19H36N8O7 488.2707 NA PeJP NA NA +PJ002590 GVKW C24H36N6O5 488.2747 NA PeJP NA NA +C13358 Hydrocortisone butyrate propionate C28H40O7 488.2774 NA KEGG NA NA +C13359 Transferred to D01887 C28H40O7 488.2774 NA KEGG NA NA +C13360 Transferred to D01888 C28H40O7 488.2774 NA KEGG NA NA +C13361 Transferred to D01889 C28H40O7 488.2774 NA KEGG NA NA +C13362 Transferred to D01890 C28H40O7 488.2774 NA KEGG NA NA +C13363 Transferred to D01891 C28H40O7 488.2774 NA KEGG NA NA +C13364 Transferred to D01892 C28H40O7 488.2774 NA KEGG NA NA +C13365 Transferred to D01893 C28H40O7 488.2774 NA KEGG NA NA +C13366 Transferred to D01894 C28H40O7 488.2774 NA KEGG NA NA +C13367 Transferred to D01895 C28H40O7 488.2774 NA KEGG NA NA +C13368 Transferred to D01896 C28H40O7 488.2774 NA KEGG NA NA +C13369 Transferred to D01897 C28H40O7 488.2774 NA KEGG NA NA +C13370 Transferred to D01898 C28H40O7 488.2774 NA KEGG NA NA +C13371 Transferred to D01899 C28H40O7 488.2774 NA KEGG NA NA +C13372 Transferred to D01900 C28H40O7 488.2774 NA KEGG NA NA +MJ072427 1-Oxo-14,17,20,22-tetrahydroxy-2,5-ergostadien-26,28-olide C28H40O7 488.277403 NA MeJP NA NA +MJ072428 11,17,21-Trihydroxypregn-4-ene-3,20-dione, 17-Butanoyl, 21-propanoyl C28H40O7 488.277403 NA MeJP NA NA +MJ072429 12,20-Epoxy-3-hydroxy-14,17-pregn-5-ene-11,15-dione, 3-O-(2-Deoxy-3-O-methyl-D-fucoside) C28H40O7 488.277403 NA MeJP NA NA +MJ072430 14,20-Epoxy-5,6,27-trihydroxy-1-oxowith-24-enolide C28H40O7 488.277403 NA MeJP NA NA +MJ072431 3,14,17,20-Tetrahydroxy-1-oxo-5,24-withadienolide C28H40O7 488.277403 NA MeJP NA NA +MJ072432 3,14,20,27-Tetrahydroxy-1-oxo-5,24-withadienolide C28H40O7 488.277403 NA MeJP NA NA +MJ072433 4,5,6,27-Tetrahydroxy-1-oxowith-24-enolide, 2,3-Didehydro C28H40O7 488.277403 NA MeJP NA NA +MJ072434 5,6,14,17-Tetrahydroxy-1-oxowitha-2,24-dienolide C28H40O7 488.277403 NA MeJP NA NA +MJ072435 5,6,21,27-Tetrahydroxy-1-oxowitha-2,24-dienolide C28H40O7 488.277403 NA MeJP NA NA +MJ072436 5,6,7,12-Tetrahydroxy-1-oxowitha-2,24-dienolide C28H40O7 488.277403 NA MeJP NA NA +MJ072437 5,9,12,13-Tetrahydroxy-1,6-tigliadien-3-one, 12,13-Bis(2-methylpropanoyl) C28H40O7 488.277403 NA MeJP NA NA +MJ072438 8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-(3-Acetyl-?-L-fucopyranoside) C28H40O7 488.277403 NA MeJP NA NA +MJ072439 8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-(2-Acetyl-?-L-fucopyranoside) C28H40O7 488.277403 NA MeJP NA NA +MJ072440 8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-(3-Acetyl-?-L-fucopyranoside) C28H40O7 488.277403 NA MeJP NA NA +MJ072441 8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-(4-Acetyl-?-L-fucopyranoside) C28H40O7 488.277403 NA MeJP NA NA +MJ072442 8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 11-Tigloyl, 12-Ac C28H40O7 488.277403 NA MeJP NA NA +MJ072443 9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12,13-Bis(2-methylpropanoyl) C28H40O7 488.277403 NA MeJP NA NA +MJ072444 9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12-Hexanoyl, 13-Ac C28H40O7 488.277403 NA MeJP NA NA +MJ072445 Acnistin F C28H40O7 488.277403 NA MeJP NA NA +MJ072446 Amebucort C28H40O7 488.277403 NA MeJP NA NA +MJ072447 Anhydrohirundigenin; 3-O-(2,6-Dideoxy-3-O-methyl-D-arabino-hexopyranoside) C28H40O7 488.277403 NA MeJP NA NA +MJ072448 Ixocarpanolide; 14?-Hydroxy C28H40O7 488.277403 NA MeJP NA NA +MJ072449 Jabormagellone C28H40O7 488.277403 NA MeJP NA NA +MJ072450 Jaborosalactol M; 2,3-Didehydro C28H40O7 488.277403 NA MeJP NA NA +MJ072451 Jaborosalactol M; 26-Ketone (lactone) C28H40O7 488.277403 NA MeJP NA NA +MJ072452 Jaborosalactol N C28H40O7 488.277403 NA MeJP NA NA +MJ072453 Jaborosalactone F C28H40O7 488.277403 NA MeJP NA NA +MJ072454 Nic 11 C28H40O7 488.277403 NA MeJP NA NA +MJ072455 Nic 2 C28H40O7 488.277403 NA MeJP NA NA +MJ072456 Nicalbin A C28H40O7 488.277403 NA MeJP NA NA +MJ072457 Nicaphysalin A C28H40O7 488.277403 NA MeJP NA NA +MJ072458 Pregnane-3,8,12,14,17,20-hexol, 12-O-Benzoyl C28H40O7 488.277403 NA MeJP NA NA +MJ072459 Viscosalactone B C28H40O7 488.277403 NA MeJP NA NA +MJ072460 Withanolide E; 2,3-Dihydro C28H40O7 488.277403 NA MeJP NA NA +MJ072461 Withaphysacarpin C28H40O7 488.277403 NA MeJP NA NA +MetaCyc03699 phorbol 12,13-dibutanoate [] C28H40O7 488.277404 NA metacyc NA NA +MJ072462 Protomethine; 18-Oxo, N9-E-cinnamoyl C29H36N4O3 488.278741 NA MeJP NA NA +PJ002591 GTRR C18H36N10O6 488.282 NA PeJP NA NA +MJ072463 Amastatins; Amastatin A3 C22H40N4O8 488.284614 NA MeJP NA NA +MJ072464 Amastatins; Amastatin B2 C22H40N4O8 488.284614 NA MeJP NA NA +PJ002592 KRW C23H36N8O4 488.286 NA PeJP NA NA +MJ072465 N-Acetylphenylalanyl-N-[4-[(aminoiminomethyl)amino]-1-boronobutyl]-N2-cyclopentylglycinamide C23H37BN6O5 488.291848 NA MeJP NA NA +PJ002593 VDKK C21H40N6O7 488.2959 NA PeJP NA NA +MJ072466 Melofoline C26H40N4O5 488.29987 NA MeJP NA NA +MJ072467 Mucronine E C26H40N4O5 488.29987 NA MeJP NA NA +PJ002594 PLLF C26H40N4O5 488.2999 NA PeJP NA NA +PJ002595 LLLM C23H44N4O5S 488.3033 NA PeJP NA NA +PJ002596 SVKR C20H40N8O6 488.3071 NA PeJP NA NA +MJ072468 11,15(17)-Trinervitadiene-3,9,13-triol, 3,9,13-Tripropanoyl C29H44O6 488.313789 NA MeJP NA NA +MJ072469 2,3,20,22-Tetrahydroxycholesta-4,7-dien-6-one, 22-Ac C29H44O6 488.313789 NA MeJP NA NA +MJ072470 2,3-Seco-24-nor-12-ursene-2,3,28-trioic acid C29H44O6 488.313789 NA MeJP NA NA +MJ072471 24,25-Epoxy-16-scalarene-12,19,25-triol, 12,19-Di-Ac C29H44O6 488.313789 NA MeJP NA NA +MJ072472 24,25-Epoxy-17(24)-scalarene-12,16,25-triol, 16,25-Di-Ac C29H44O6 488.313789 NA MeJP NA NA +MJ072473 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,3-Dideoxy-?-L-rhamnopyranoside) C29H44O6 488.313789 NA MeJP NA NA +MJ072474 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,3-Dideoxy-?-L-rhamnopyranoside) C29H44O6 488.313789 NA MeJP NA NA +MJ072475 Albertic acid C29H44O6 488.313789 NA MeJP NA NA +MJ072476 Brachycarpone C29H44O6 488.313789 NA MeJP NA NA +MJ072477 Eucosterol; 16?-Hydroxy C29H44O6 488.313789 NA MeJP NA NA +MJ072478 Nahocol A; 12'-Alcohol C29H44O6 488.313789 NA MeJP NA NA +MJ072479 Pectinoacetal A C29H44O6 488.313789 NA MeJP NA NA +MJ072480 Polygalic acid C29H44O6 488.313789 NA MeJP NA NA +MJ072481 Pregna-5,20-dien-3-ol, 3-O-(4-O-Acetyl-?-L-fucopyranoside) C29H44O6 488.313789 NA MeJP NA NA +MJ072482 Pseudolarolide J C29H44O6 488.313789 NA MeJP NA NA +MJ072483 Dithermamine C30H40N4O2 488.315126 NA MeJP NA NA +MJ072484 Eudeshonokiol A C33H44O3 488.329045 NA MeJP NA NA +MJ072485 Eudeshonokiol B C33H44O3 488.329045 NA MeJP NA NA +MJ072486 Eudesmagnolol C33H44O3 488.329045 NA MeJP NA NA +PJ002597 TLKK C22H44N6O6 488.3323 NA PeJP NA NA +MJ072487 Gephyronic acid C26H48O8 488.334918 NA MeJP NA NA +MJ072488 1,2,3-Trihydroxy-12-ursen-23-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072489 1,2,3-Trihydroxy-12-ursen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072490 1,3,11-Trihydroxygorgost-5-en-18-al, 18-Carboxylic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072491 1,3,23-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072492 1,3,24-Trihydroxycycloart-25-en-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072493 1,3,25-Trihydroxycycloart-23-en-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072494 11,13(18)-Oleanadiene-3,16,23,28,30-pentol C30H48O5 488.350174 NA MeJP NA NA +MJ072495 12,15-Oleanadiene-3,21,22,24,28-pentol C30H48O5 488.350174 NA MeJP NA NA +MJ072496 12-Oleanene-3,11,16,23,28-pentol, 11-Ketone C30H48O5 488.350174 NA MeJP NA NA +MJ072497 12-Oleanene-3,15,16,22,28-pentol, 3-Ketone C30H48O5 488.350174 NA MeJP NA NA +MJ072498 12-Oleanene-3,16,21,22,28-pentol, 22-Ketone C30H48O5 488.350174 NA MeJP NA NA +MJ072499 12-Oleanene-3,16,21,22,28-pentol, 28-Aldehyde C30H48O5 488.350174 NA MeJP NA NA +MJ072500 12-Oleanene-3,16,21,22,28-pentol, 3-Ketone C30H48O5 488.350174 NA MeJP NA NA +MJ072501 12-Oleanene-3,16,28,29-tetrol, 29-Carboxylic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072502 14-Serratene-3,21,24,30-tetrol, 24-Carboxylic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072503 16,24:20,24-Diepoxycycloartane-3,7,25-triol C30H48O5 488.350174 NA MeJP NA NA +MJ072504 2,3,16-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072505 2,3,18-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072506 2,3,19-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072507 2,3,19-Trihydroxy-12-oleanen-29-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072508 2,3,19-Trihydroxy-12-ursen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072509 2,3,21-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072510 2,3,23-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072511 2,3,23-Trihydroxy-12-ursen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072512 2,3,23-Trihydroxy-20(29)-lupen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072513 2,3,24-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072514 2,3,24-Trihydroxy-12-ursen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072515 2,3,6-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072516 2,3,6-Trihydroxy-12-ursen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072517 2,3,6-Trihydroxy-20(29)-lupen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072518 20,24-Epoxy-3,16,25-trihydroxycycloartan-12-one C30H48O5 488.350174 NA MeJP NA NA +MJ072519 20,24-Epoxy-3,16,25-trihydroxycycloartan-6-one C30H48O5 488.350174 NA MeJP NA NA +MJ072520 20,24-Epoxy-3,25-dihydroxy-5-cucurbiten-11-one, 16?-Hydroxy C30H48O5 488.350174 NA MeJP NA NA +MJ072521 20,24-Epoxy-6,16,25-trihydroxycycloartan-3-one C30H48O5 488.350174 NA MeJP NA NA +MJ072522 24,25-Epoxy-16,24-dihydroxy-20,24-dimethyl-12-scalaranone, 24-Me ether, 16-Ac C30H48O5 488.350174 NA MeJP NA NA +MJ072523 3,11,20-Trihydroxy-24-dammarene-2,23-dione C30H48O5 488.350174 NA MeJP NA NA +MJ072524 3,11,23-Trihydroxy-20(29)-lupen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072525 3,15,16-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072526 3,15,26-Trihydroxylanosta-8,24-dien-21-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072527 3,16,20,21-Tetrahydroxy-28-lupanoic acid, 28?21 Lactone C30H48O5 488.350174 NA MeJP NA NA +MJ072528 3,16,21-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072529 3,16,23-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072530 3,16,28-Trihydroxy-12-oleanen-30-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072531 3,19,23-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072532 3,19,23-Trihydroxy-12-ursen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072533 3,19,24-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072534 3,19,24-Trihydroxy-12-ursen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072535 3,19-Epoxydammara-20(22),25-diene-3,11,23,24-tetrol C30H48O5 488.350174 NA MeJP NA NA +MJ072536 3,19:17,24:20,24-Triepoxydammarane-3,25-diol C30H48O5 488.350174 NA MeJP NA NA +MJ072537 3,19:24,25-Diepoxydammar-20(22)-ene-3,11,23-triol C30H48O5 488.350174 NA MeJP NA NA +MJ072538 3,20,21,22-Tetrahydroxy-28-lupanoic acid, 28?21 Lactone C30H48O5 488.350174 NA MeJP NA NA +MJ072539 3,20,21,24-Tetrahydroxy-14-serraten-16-one C30H48O5 488.350174 NA MeJP NA NA +MJ072540 3,20,23,27-Tetrahydroxy-28-taraxastanoic acid, 28?20 Lactone C30H48O5 488.350174 NA MeJP NA NA +MJ072541 3,21,23-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072542 3,21,24-Trihydroxy-12-oleanen-29-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072543 3,21,30-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072544 3,22,24-Trihydroxy-12-oleanen-29-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072545 3,23,24-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072546 3,23,29-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072547 3,24,29,30-Tetrahydroxy-12-oleanen-22-one C30H48O5 488.350174 NA MeJP NA NA +MJ072548 3,25-Epoxy-6-oleanene-13,16,27,28-tetrol C30H48O5 488.350174 NA MeJP NA NA +MJ072549 3,6,19-Trihydroxy-12-ursen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072550 3,6,23-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072551 3,6,23-Trihydroxy-12-ursen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072552 3,6,24-Trihydroxy-12-oleanen-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072553 3,7,11-Trihydroxyurs-12-en-28-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072554 3,7,15-Trihydroxylanosta-8,24-dien-26-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072555 3,7,22-Trihydroxylanosta-8,24-dien-26-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072556 3-Hydroxy-27,29-friedelanedioic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072557 4,23-Dihydroxy-22-oxo-3,4-seco-12-oleanen-3-oic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072558 4-Hydroxy-3,4-seco-12-oleanene-3,28-dioic acid; 5à H-form C30H48O5 488.350174 NA MeJP NA NA +MJ072559 5,6-Epoxy-3,11-dihydroxyergost-22-en-1-one, 22,23-Dihydro, 11-Ac C30H48O5 488.350174 NA MeJP NA NA +MJ072560 7,24,25,26-Tetrahydroxylanost-8-en-3-one, 7-Ketone C30H48O5 488.350174 NA MeJP NA NA +MJ072561 Alisol B; 13?,17?-Epoxide C30H48O5 488.350174 NA MeJP NA NA +MJ072562 Alisol F C30H48O5 488.350174 NA MeJP NA NA +MJ072563 Ananasic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072564 Anhydrocrustulinol C30H48O5 488.350174 NA MeJP NA NA +MJ072565 Cimigenol; 15-Epimer C30H48O5 488.350174 NA MeJP NA NA +MJ072566 Cycloorbigenin C30H48O5 488.350174 NA MeJP NA NA +MJ072567 Dahurinol C30H48O5 488.350174 NA MeJP NA NA +MJ072568 Ergosta-5,24(28)-diene-1,3,11,18-tetrol, 18-Ac C30H48O5 488.350174 NA MeJP NA NA +MJ072569 Ergosta-5,24(28)-diene-1,3,11,18-tetrol, 24R,28-Dihydro, 22,23-didehydro, 18-Ac C30H48O5 488.350174 NA MeJP NA NA +MJ072570 Escigenin C30H48O5 488.350174 NA MeJP NA NA +MJ072571 Gouanogenin B C30H48O5 488.350174 NA MeJP NA NA +MJ072572 Hovenolactone C30H48O5 488.350174 NA MeJP NA NA +MJ072573 Isodahurinol C30H48O5 488.350174 NA MeJP NA NA +MJ072574 Melianotriol; 3-Ketone C30H48O5 488.350174 NA MeJP NA NA +MJ072575 Orthosphenic acid C30H48O5 488.350174 NA MeJP NA NA +MJ072576 Sipholenone C C30H48O5 488.350174 NA MeJP NA NA +MJ072577 Sodwanone D C30H48O5 488.350174 NA MeJP NA NA +MJ072578 Sodwanone O C30H48O5 488.350174 NA MeJP NA NA +MJ072579 Toosendantriol C30H48O5 488.350174 NA MeJP NA NA +MJ072580 Trevoagenin D C30H48O5 488.350174 NA MeJP NA NA +MJ072581 Yardenone C30H48O5 488.350174 NA MeJP NA NA +MJ072582 rofuric acid C30H48O5 488.350174 NA MeJP NA NA +C08617 Asiatic acid C30H48O5 488.3502 NA KEGG NA NA +C17538 Cimigenol C30H48O5 488.3502 NA KEGG NA NA +MJ072583 Baleabuxidine I; N20-Me, N3-(2-methylpropanoyl) C29H48N2O4 488.361408 NA MeJP NA NA +C14673 Cholesta-5,7-dien-3beta-ol benzoate C34H48O2 488.3654 NA KEGG NA NA +MJ072584 Buxamine I; N20,N20-Di-Me, N3-benzoyl C33H48N2O 488.376664 NA MeJP NA NA +MJ072585 Batzelladine C C27H48N6O2 488.383874 NA MeJP NA NA +MJ072586 ?-Agatoxin AG 488 C27H49N6O2(+) 488.383874 NA MeJP NA NA +MJ072587 1-Docosanol; 3,4-Dihydroxycinnamoyl(E-) C31H52O4 488.38656 NA MeJP NA NA +MJ072588 16,22-Dihydroxy-23-hopanoic acid, Me ester C31H52O4 488.38656 NA MeJP NA NA +MJ072589 3,22-Dihydroxy-29-hopanoic acid, Me ester C31H52O4 488.38656 NA MeJP NA NA +MJ072590 5,14:7,8-Diepoxy-5-marasmanol, Hexadecanoyl C31H52O4 488.38656 NA MeJP NA NA +MJ072591 Alnustic acid C31H52O4 488.38656 NA MeJP NA NA +MJ072592 Argentatine C C31H52O4 488.38656 NA MeJP NA NA +MJ072593 Piceanonol A C31H52O4 488.38656 NA MeJP NA NA +MJ072594 Tirucall-7-ene-3,23,24,25-tetrol, 3-Ketone, 25-Me ether C31H52O4 488.38656 NA MeJP NA NA +MJ072595 2,29-Diamino-5,9,11,14,17,20-triacontahexaene-3,8,28-triol C30H52N2O3 488.397793 NA MeJP NA NA +MJ072596 2-(4-Hydroxyphenyl)ethanol; 1-O-Tetracosanoyl C32H56O3 488.422945 NA MeJP NA NA +MJ072597 Capiquinones; Capiquinone I C32H56O3 488.422945 NA MeJP NA NA +MJ072598 7-Drimen-11-ol, O-Octadecanoyl C33H60O2 488.459331 NA MeJP NA NA +MJ072599 2-Methyl-4,5-ditridecyl-1,4-cyclohexadiene-1-methanol C34H64O 488.495716 NA MeJP NA NA +3659 NA ITDFQILE 488.74695 MH2+ Inhouse_peptide NA peptide +MJ072600 Purealidin J C15H17Br2N5O4 488.964729 NA MeJP NA NA +MJ072601 Purealidin M C15H17Br2N5O4 488.964729 NA MeJP NA NA +MJ072602 6-Hydroxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; 6-O-?-D-Glucopyranoside C22H19NO12 489.090725 NA MeJP NA NA +MJ072603 Talmetacin C27H20ClNO6 489.097915 NA MeJP NA NA +MJ072604 3-[1-[4-(5-Chloro-1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)butyl]-4-piperidinyl]-2(3H)-benzoxazolone C23H24ClN3O5S 489.112519 NA MeJP NA NA +MJ072605 CMP-N-trimethyl-2-aminoethylphosphonate C14H27N4O11P2 489.115155 NA MeJP NA NA +MetaCyc03700 CDP-choline [citicoline;citicholine;cidifos;cyticholine;cytidine 5'-diphosphocholine;cytidine diphosphate choline;] C14H27N4O11P2 489.115156 987-78-0 metacyc NA NA +HMDB01413 Citicoline C14H27N4O11P2 489.11517 http://www.hmdb.ca/metabolites/HMDB01413 HMDB NA NA +HMDB01413 Citicoline C14H27N4O11P2 489.11517 HMDB01413 PFEM_hmdb_metabocards_official NA NA +MJ072606 3-Hydroxy-1H-indole-2-thiol; SH-form, O,S-Di-?-D-glucopyranoside C20H27NO11S 489.130481 NA MeJP NA NA +MJ072607 1-Hydroxy-5-methoxy-6-methyl-2(1H)-pyridinone; Al complex (3:1) C21H24AlN3O9 489.132792 NA MeJP NA NA +MJ072608 2-Amino-6-(1,2,3,4,5-pentahydroxypentyl)-4(1H)-pteridinone; 2'-O-?-D-Glucuronoside C17H23N5O12 489.134321 NA MeJP NA NA +MJ072609 Polyoxin O C17H23N5O12 489.134321 NA MeJP NA NA +PJ002598 CCQH C17H27N7O6S2 489.1464 NA PeJP NA NA +PJ002599 GACCH C17H27N7O6S2 489.1465 NA PeJP NA NA +PJ002600 GSSCH C17H27N7O8S 489.1642 NA PeJP NA NA +MJ072610 N-Benzyl-N-[3-(pyrazol-3-yl)benzyl]-N'-[2,4-bis(methylthio)-6-methylpyridin-3-yl]urea C26H27N5OS2 489.165701 NA MeJP NA NA +PJ002601 GSPDD C18H27N5O11 489.1707 NA PeJP NA NA +PJ002602 APPCC C19H31N5O6S2 489.1716 NA PeJP NA NA +PJ002603 NNNE C17H27N7O10 489.182 NA PeJP NA NA +PJ002604 CCKH C18H31N7O5S2 489.1828 NA PeJP NA NA +MJ072611 Altemicidin; 5'-N-(2S-Amino-3S-methylpentanoyl) C19H31N5O8S 489.189333 NA MeJP NA NA +PJ002605 PNEM C19H31N5O8S 489.1894 NA PeJP NA NA +PJ002606 GNNW C21H27N7O7 489.1972 NA PeJP NA NA +MJ072612 Menoxymycin B C25H31NO9 489.199881 NA MeJP NA NA +MJ072613 Ryanodine; 10-Deoxy, 9,10-didehydro, 8-oxo C25H31NO9 489.199881 NA MeJP NA NA +PJ002607 PCDR C18H31N7O7S 489.2006 NA PeJP NA NA +PJ002608 GPMW C23H31N5O5S 489.2046 NA PeJP NA NA +PJ002609 VNEE C19H31N5O10 489.2071 NA PeJP NA NA +MJ072614 Antibiotic OA 6129E C21H35N3O8S 489.214485 NA MeJP NA NA +C17376 OA-6129 E C21H35N3O8S 489.2145 NA KEGG NA NA +MJ072615 Cardiopetamine; O15-Ac C29H31NO6 489.215137 NA MeJP NA NA +PJ002610 NNDK C18H31N7O9 489.2183 NA PeJP NA NA +PJ002611 GEER C18H31N7O9 489.2184 NA PeJP NA NA +8072 synthetic peptide RWE 489.222 ACE inhibitor Inhouse_peptide NA peptide +PJ002612 GVEW C23H31N5O7 489.2224 NA PeJP NA NA +PJ002613 PDKM C20H35N5O7S 489.2257 NA PeJP NA NA +PJ002614 SNNR C17H31N9O8 489.2296 NA PeJP NA NA +PJ002615 ERW C22H31N7O6 489.2336 NA PeJP NA NA +MJ072616 Alkaloid GB11; 13?-Acetoxy C26H35NO8 489.236267 NA MeJP NA NA +PJ002616 SPMR C19H35N7O6S 489.237 NA PeJP NA NA +PJ002617 VWW C27H31N5O4 489.2376 NA PeJP NA NA +PJ002618 VDKE C20H35N5O9 489.2435 NA PeJP NA NA +8274 Antioxidative peptide LPTSEAAKY 489.244 MH2+ Inhouse_peptide NA peptide +8277 Anticancer peptide LPTSEAAKY 489.244 MH2+ Inhouse_peptide NA peptide +PJ002619 SVER C19H35N7O8 489.2547 NA PeJP NA NA +MJ072617 Mycalamide A; 13-O-De-Me C23H39NO10 489.257396 NA MeJP NA NA +PJ002620 ATLW C24H35N5O6 489.2588 NA PeJP NA NA +PJ002621 VLQM C21H39N5O6S 489.2621 NA PeJP NA NA +MJ072618 Sanjoinenine C29H35N3O4 489.262756 NA MeJP NA NA +7658 ACE inhibitor from as2-CN (174-811) FALPQYLK 489.27 MH2+ Inhouse_peptide NA peptide +8151 peptide derived from bovine aS2-casein (174û181) FALPQYLK 489.27 MH2+ Inhouse_peptide NA peptide +PJ002622 APFR C23H35N7O5 489.27 NA PeJP NA NA +MJ072619 Delpheline; 2,3-Didehydro, Ac C27H39NO7 489.272652 NA MeJP NA NA +MJ072620 Migrastatin C27H39NO7 489.272652 NA MeJP NA NA +MJ072621 Tubasenecine C27H39NO7 489.272652 NA MeJP NA NA +PJ002623 ALMR C20H39N7O5S 489.2734 NA PeJP NA NA +PJ002624 TLKE C21H39N5O8 489.2799 NA PeJP NA NA +EUR675 Lyso PC 14:0 [M+Na]+ C22H46NO7P 489.283138 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR675 Lyso PC 14:0 [M+Na]+ C22H46NO7P 489.283138 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR675 Lyso PC 14:0 [M+Na]+ C22H46NO7P 489.283138 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR675 Lyso PC 14:0 [M+Na]+ C22H46NO7P 489.283138 masses lipides attendues Inhousejuil11 NA NA +EUR876 Lyso PE 20:3 [M-H-CH3]- C25H46NO7P 489.285542 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR876 Lyso PE 20:3 [M-H-CH3]- C25H46NO7P 489.285542 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR876 Lyso PE 20:3 [M-H-CH3]- C25H46NO7P 489.285542 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR876 Lyso PE 20:3 [M-H-CH3]- C25H46NO7P 489.285542 masses lipides attendues Inhousejuil11 NA NA +PJ002625 TTLR C20H39N7O7 489.2911 NA PeJP NA NA +PJ002626 PVKF C25H39N5O5 489.2951 NA PeJP NA NA +PJ002627 VLKM C22H43N5O5S 489.2985 NA PeJP NA NA +C15687 Borrelidin C28H43NO6 489.309 NA KEGG NA NA +MJ072622 Borrelidin C28H43NO6 489.309038 NA MeJP NA NA +MJ072623 Hapalosin C28H43NO6 489.309038 NA MeJP NA NA +MJ072624 Oxysporidinone C28H43NO6 489.309038 NA MeJP NA NA +MJ072625 Protoverbine; N9-E-Cinnamoyl, N14-(iminomethyl) C29H39N5O2 489.310375 NA MeJP NA NA +MJ072626 Protoverbine; N9-Z-Cinnamoyl, N14-(iminomethyl) C29H39N5O2 489.310375 NA MeJP NA NA +MJ072627 Caledonin C26H43N5O2S 489.313746 NA MeJP NA NA +PJ002628 SKKK C21H43N7O6 489.3275 NA PeJP NA NA +MJ072628 AAL Toxin; AAL Toxin TA1, 4,5-Dideoxy C25H47NO8 489.330167 NA MeJP NA NA +MJ072629 AAL Toxin; AAL Toxin TA2, 4,5-Dideoxy C25H47NO8 489.330167 NA MeJP NA NA +MJ072630 3,6,14-Cevanetriol, 3-Ac, N-oxide C29H47NO5 489.345423 NA MeJP NA NA +MJ072631 Solaphyllidine C29H47NO5 489.345423 NA MeJP NA NA +MJ072632 Emindole PA C33H47NO2 489.360679 NA MeJP NA NA +MJ072633 Agel 505; 4-Deoxy C26H47N7O2 489.379123 NA MeJP NA NA +3401 NA YPVQPFTE 489.725 MH2+ Inhouse_peptide NA peptide +MJ072634 Russuphelin C; 1,4-Di-Me ether C20H14Cl4O6 489.954449 NA MeJP NA NA +C08075 Oxiconazole nitrate C18H13Cl4N3O 489.9769 NA KEGG NA NA +FL3FECNSS009 6-Hydroxyluteolin 6,3'-dimethyl ether 7,4'-disulfate C17H14O13S2 489.98758 111509-39-8 knapsack NA NA +FL5FCENSS002 Ombuin 3,3'-di-O-sulfate C17H14O13S2 489.98758 79174-99-5 knapsack NA NA +MJ072635 3,3',5-Trihydroxy-4',7-dimethoxyflavone; 3,3'-Di-O-sulfate C17H14O13S2 489.987581 NA MeJP NA NA +MJ072636 4',5,7-Trihydroxy-3',6-dimethoxyflavone; 4',7-Di-O-sulfate C17H14O13S2 489.987581 NA MeJP NA NA +MJ072637 Mirabimide E C18H26Cl4N2O5 490.059582 NA MeJP NA NA +MJ072638 3-Indolylmethyl glucosinolate; N-Ac C18H22N2O10S2 490.071586 NA MeJP NA NA +MJ072639 Cefamandoleyl C19H18N6O6S2 490.072923 NA MeJP NA NA +MJ072640 Isoplagiochin C; 12,14'-Dichloro C28H20Cl2O4 490.073864 NA MeJP NA NA +MJ072641 Isoplagiochin C; 6',8'-Dichloro C28H20Cl2O4 490.073864 NA MeJP NA NA +MJ072642 Ellagic acid; 2,3-Methylene, 7-Me ether, 8-O-?-D-glucopyranoside C22H18O13 490.07474 NA MeJP NA NA +MJ072643 Bacillosporin C C26H18O10 490.089996 NA MeJP NA NA +MJ072644 Madurahydroxylactone C26H18O10 490.089996 NA MeJP NA NA +PJ002629 CCCY C18H26N4O6S3 490.1015 NA PeJP NA NA +FL1A3CGS0002 Maritimetin 6-(6''-acetylglucoside) C23H22O12 490.11112 134955-56-9 knapsack NA NA +FL3FACCS0008 Orientin 2''-acetate C23H22O12 490.11112 71880-89-2 knapsack NA NA +FL3FACCS0009 Isoorientin 2''-acetate;2''-O-Acetylisoorientin C23H22O12 490.11112 131508-00-4 knapsack NA NA +FL3FACCS0010 Orientin 6''-acetate;6''-O-Acetylorientin C23H22O12 490.11112 112160-04-0 knapsack NA NA +FL3FACCS0057 Isoorientin 6''-O-acetate C23H22O12 490.11112 - knapsack NA NA +FL3FACGS0055 Luteolin 7-(6''-acetylglucoside) C23H22O12 490.11112 60355-68-2 knapsack NA NA +FL3FAFGS0002 Luteolin 3',4'-dimethyl ether 7-glucuronide C23H22O12 490.11112 74514-36-6 knapsack NA NA +FL3FEAGS0022 Pectolinarigenin 7-glucuronide C23H22O12 490.11112 70938-60-2 knapsack NA NA +FL3FEAGS0033 Scutellarein 6,7-dimethyl ether 4'-glucuronide;4-(5-Hydroxy-6,7-dimethoxy-4-oxo-4H-1-benzopyran-2-yl)phenyl beta-D-glucopyranosiduronic acid C23H22O12 490.11112 149947-23-9 knapsack NA NA +FL3FEAGS0047 Hispidulin 7-methylglucuronide;5-Hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid methyl ester C23H22O12 490.11112 168207-86-1 knapsack NA NA +FL3FF8GS0002 5,7-Dihydroxy-8,2'-dimethoxyflavone 7-glucuronide C23H22O12 490.11112 112408-70-5 knapsack NA NA +FL3FFAGS0009 Isoscutellarein 8,4'-dimethyl ether 7-glucuronide C23H22O12 490.11112 - knapsack NA NA +FL5FAAGL0061 Kaempferol 3-(6''-acetylglucoside);6''-O-Acetylastragalin C23H22O12 490.11112 118169-27-0 knapsack NA NA +FL5FAAGS0007 Kaempferol 3-(6''-ethylglucuronide) C23H22O12 490.11112 93753-27-6 knapsack NA NA +FL5FACGS0048 Quercetin 3-(3''-acetylrhamnoside) C23H22O12 490.11112 69120-15-6 knapsack NA NA +FL5FACGS0049 Quercetin 3-(4''-acetylrhamnoside) C23H22O12 490.11112 69120-16-7 knapsack NA NA +FL5FACGS0092 Quercetin 3-(2''-acetylrhamnoside);Quercitryl-2'' acetate;3-[(2-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C23H22O12 490.11112 61891-39-2 knapsack NA NA +FL5FECGS0069 Viviparum B;3,3'-Dihydroxy-5,4'-dimethoxy-6,7-methylenedioxyflavone 3-xyloside;6-(3-Hydroxy-4-methoxyphenyl)-9-methoxy-7-(beta-D-xylopyranosyloxy)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one C23H22O12 490.11112 340970-66-3 knapsack NA NA +FLIAACCS0003 Orobol 8-C-(6''-acetylglucoside) C23H22O12 490.11112 118949-93-2 knapsack NA NA +FLIAACCS0004 Orobol 6-C-(6''-acetylglucoside) C23H22O12 490.11112 118949-91-0 knapsack NA NA +FLIAECGS0001 Iriflogenin 4'-O-glucoside;Irifloside C23H22O12 490.11112 52591-09-0 knapsack NA NA +FLIAECGS0007 Dalspinin 7-O-galactoside C23H22O12 490.11112 98568-73-1 knapsack NA NA +MJ072645 1,4,5-Naphthalenetriol; 4-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C23H22O12 490.111126 NA MeJP NA NA +MJ072646 2',5,6,7-Tetrahydroxyflavone; 6-Me ether, 7-O-?-D-glucuronopyranoside, Me ester C23H22O12 490.111126 NA MeJP NA NA +MJ072647 2',5,7,8-Tetrahydroxyflavone; 2',8-Di-Me ether, 7-O-?-D-glucuronoside C23H22O12 490.111126 NA MeJP NA NA +MJ072648 3',4',5,6,7-Pentahydroxyisoflavone; 3'-Me, 6,7-methylene ether, 4'-O-?-D-glucopyranoside C23H22O12 490.111126 NA MeJP NA NA +MJ072649 3',4',5,6,7-Pentahydroxyisoflavone; 6-Me, 3',4'-methylene ether, 7-O-?-D-galactopyranoside C23H22O12 490.111126 NA MeJP NA NA +MJ072650 3',4',5,7-Tetrahydroxyflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) C23H22O12 490.111126 NA MeJP NA NA +MJ072651 3',4',6,7-Tetrahydroxyaurone; 6-O-(6-O-Acetyl-?-D-glucopyranoside) C23H22O12 490.111126 NA MeJP NA NA +MJ072652 3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Glucuronoside, Et ester C23H22O12 490.111126 NA MeJP NA NA +MJ072653 4',5,7,8-Tetrahydroxyflavone; 4',8-Di-Me ether, 7-O-?-D-glucuronopyranoside C23H22O12 490.111126 NA MeJP NA NA +MJ072654 4',5-Dihydroxy-6,7-dimethoxyflavone; 4'-O-?-D-Glucuronopyranoside C23H22O12 490.111126 NA MeJP NA NA +MJ072655 4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 5-O-(6-Acetyl-?-D-glucopyranoside) C23H22O12 490.111126 NA MeJP NA NA +MJ072656 5,6,7,8-Tetrahydroxyflavone; 6,8-Di-Me ether, 7-O-?-D-glucuronoside C23H22O12 490.111126 NA MeJP NA NA +MJ072657 5,7,8-Trihydroxy-4'-methoxyflavone; 8-O-?-D-Glucuronopyranoside, Me ester C23H22O12 490.111126 NA MeJP NA NA +MJ072658 5,7-Dihydroxy-3',4'-dimethoxyflavone; 7-O-?-D-Glucuronoside C23H22O12 490.111126 NA MeJP NA NA +MJ072659 5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-?-D-Galacturonopyranoside C23H22O12 490.111126 NA MeJP NA NA +MJ072660 5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-?-D-Glucuronopyranoside C23H22O12 490.111126 NA MeJP NA NA +MJ072661 6-Glucopyranosyl-3',4',5,7-tetrahydroxyisoflavone; 6''-O-Ac C23H22O12 490.111126 NA MeJP NA NA +MJ072662 8-Glucopyranosyl-3',4',5,7-tetrahydroxyisoflavone; 6''-Ac C23H22O12 490.111126 NA MeJP NA NA +MJ072663 Astragalin; 6''-Ac C23H22O12 490.111126 NA MeJP NA NA +MJ072664 Astragalin; Mono-Ac C23H22O12 490.111126 NA MeJP NA NA +MJ072665 Isoorientin; 2''-Ac C23H22O12 490.111126 NA MeJP NA NA +MJ072666 Isoorientin; O''-Ac C23H22O12 490.111126 NA MeJP NA NA +MJ072667 Orientin; 2''-Ac C23H22O12 490.111126 NA MeJP NA NA +MJ072668 Orientin; 6''-Ac C23H22O12 490.111126 NA MeJP NA NA +MJ072669 Quercitrin; 2''-O-Ac C23H22O12 490.111126 NA MeJP NA NA +MJ072670 Quercitrin; 3''-O-Ac C23H22O12 490.111126 NA MeJP NA NA +MJ072671 Quercitrin; 4''-O-Ac C23H22O12 490.111126 NA MeJP NA NA +MJ072672 Trifolin; 2''-Ac C23H22O12 490.111126 NA MeJP NA NA +MJ072673 Trifolin; 6''-Ac C23H22O12 490.111126 NA MeJP NA NA +MJ072674 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(4-O-Acetyl-?-D-glucopyranoside) C23H23O12(+) 490.111126 NA MeJP NA NA +C05560 L-2-Aminoadipate adenylate C16H23N6O10P 490.1213 NA KEGG NA NA +MJ072675 L-2-Aminoadipate adenylate C16H23N6O10P 490.121327 NA MeJP NA NA +HMDB06941 L-2-Aminoadipate adenylate C16H23N6O10P 490.121338 NA HMDB2010 NA NA +MJ072676 Precercosporin C27H22O9 490.126382 NA MeJP NA NA +MJ072677 Indometacin; 4-(Acetylamino)phenyl ester C27H23ClN2O5 490.129549 NA MeJP NA NA +PJ002630 CCEH C17H26N6O7S2 490.1305 NA PeJP NA NA +MJ072678 Dolastatin E C21H26N6O4S2 490.145694 NA MeJP NA NA +FL3FCFCS0001 Isoorientin 7,3',4'-trimethyl ether;3',4',7-Tri-O-methylisoorientin;2-(3,4-Dimethoxyphenyl)-6-beta-D-glucopyranosyl-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C24H26O11 490.14751 4261-30-7 knapsack NA NA +FL3FCFGS0001 Lethedoside A;Luteolin 7,3',4'-trimethyl ether 5-glucoside;2-(3,4-Dimethoxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-methoxy-4H-1-benzopyran-4-one C24H26O11 490.14751 221289-20-9 knapsack NA NA +FL3FEAGS0027 Scutellarein 6,7,4'-trimethyl ether 5-glucoside C24H26O11 490.14751 57877-95-9 knapsack NA NA +FL3FF8GS0003 5-Hydroxy-7,8,2'-trimethoxyflavone 5-glucoside C24H26O11 490.14751 113963-41-0 knapsack NA NA +FL5FCFGS0002 Quercetin 7,3',4'-trimethyl ether 3-rhamnoside C24H26O11 490.14751 34286-87-8 knapsack NA NA +FLIA1LGS0001 7-Hydroxy-2',4',5'-trimethoxyisoflavone 7-O-glucoside C24H26O11 490.14751 - knapsack NA NA +FLIA2CGS0003 Cladrastin 7-O-glucoside C24H26O11 490.14751 59183-50-5 knapsack NA NA +FLIAEAGS0007 5-Methoxyafrormosin 7-O-glucoside C24H26O11 490.14751 64656-92-4 knapsack NA NA +MJ072679 1,11,15-Trihydroxy-2,13-clerodadiene-16,15:17,12:18,19-triolide, 1,11-Di-Ac C24H26O11 490.147511 NA MeJP NA NA +MJ072680 2',4',5',7-Tetrahydroxyisoflavone; 2',4',5'-Tri-Me ether, 7-O-?-D-glucopyranoside C24H26O11 490.147511 NA MeJP NA NA +MJ072681 2',5,7,8-Tetrahydroxyflavone; 2',7,8-Tri-Me ether, 5-O-?-D-glucopyranoside C24H26O11 490.147511 NA MeJP NA NA +MJ072682 3',4',6,7-Tetrahydroxyisoflavone; 3',4',6-Tri-Me ether, 7-O-?-D-glucopyranoside C24H26O11 490.147511 NA MeJP NA NA +MJ072683 3,5-Dihydroxy-3',4',7-trimethoxyflavone; 3-O-?-L-Rhamnopyranoside C24H26O11 490.147511 NA MeJP NA NA +MJ072684 4',5,6,7-Tetrahydroxyflavone; 4',5,6-Tri-Me ether, 7-O-?-D-glucopyranoside C24H26O11 490.147511 NA MeJP NA NA +MJ072685 4',5,6,7-Tetrahydroxyflavone; 5,6,7-Tri-Me ether, 4'-O-?-D-glucopyranoside C24H26O11 490.147511 NA MeJP NA NA +MJ072686 4',5,6,7-Tetrahydroxyisoflavone; 4',5,6-Tri-Me ether, 7-O-?-D-glucopyranoside C24H26O11 490.147511 NA MeJP NA NA +MJ072687 4',5,7,8-Tetrahydroxyisoflavone; 4',5,8-Tri-Me ether, 7-O-?-D-glucopyranoside C24H26O11 490.147511 NA MeJP NA NA +MJ072688 5-Hydroxy-3',4',7-trimethoxyflavone; 5-O-?-D-Glucopyranoside C24H26O11 490.147511 NA MeJP NA NA +MJ072689 5-Hydroxy-4',6,7-trimethoxyflavone; 5-O-?-D-Glucopyranoside C24H26O11 490.147511 NA MeJP NA NA +MJ072690 Isoorientin; 3',4',7-Tri-Me ether C24H26O11 490.147511 NA MeJP NA NA +MJ072691 Khellactone, 10-O-(4-Hydroxycinnamoyl), 9-O-(3-methyl-2-butenoyl), C28H26O8 490.162767 NA MeJP NA NA +MJ072692 Khellactone, 10-O-(4-Hydroxycinnamoyl), 9-angeloyl C28H26O8 490.162767 NA MeJP NA NA +MJ072693 Stypandrol; 3,3'-Dimethoxy C28H26O8 490.162767 NA MeJP NA NA +MJ072694 Vaginidiol; 3'-O-(3-Methyl-2-butenoyl), 1''-O-(4-hydroxycinnamoyl) C28H26O8 490.162767 NA MeJP NA NA +MJ072695 Picrasidine M C29H22N4O4 490.164105 NA MeJP NA NA +MJ072696 Picrasidine N C29H22N4O4 490.164105 NA MeJP NA NA +PJ002631 NNDE C17H26N6O11 490.166 NA PeJP NA NA +MJ072697 Ircinin 1; O-sulfate C25H30O8S 490.166138 NA MeJP NA NA +MJ072698 Ircinin 1; O-Sulfate C25H30O8S 490.166138 NA MeJP NA NA +PJ002632 TCMH C18H30N6O6S2 490.1668 NA PeJP NA NA +MJ072699 7-Chloro-2-[2-[3-[[7-[2-(1H-tetrazol-5-yl)ethyl]-1H-indol-1-yl]methyl]phenyl]ethenyl]quinoline C29H23ClN6 490.167272 NA MeJP NA NA +MJ072700 Bentiamine C26H26N4O4S 490.167476 NA MeJP NA NA +MJ072701 10-Hydroxyloganic acid; 7,10-Di-Ac, Me ester C21H30O13 490.168641 NA MeJP NA NA +MJ072702 2',4',6'-Trihydroxy-3'-methylacetophenone; 6'-Me ether, 4'-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C21H30O13 490.168641 NA MeJP NA NA +MJ072703 2',4',6'-Trihydroxyacetophenone; 2',4'-Di-Me ether, 6'-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C21H30O13 490.168641 NA MeJP NA NA +MJ072704 2',4',6'-Trihydroxyacetophenone; 4'-Me ether, 2'-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C21H30O13 490.168641 NA MeJP NA NA +MJ072705 6-Hydroxyloganin; 6,7-Di-Ac C21H30O13 490.168641 NA MeJP NA NA +MJ072706 6-O-(3,4-Dihydroxycinnamoyl)glucose; ?-D-Pyranose-form, 2,3,4,5-Tetrahydroxyhexyl glycoside C21H30O13 490.168641 NA MeJP NA NA +MJ072707 Shanzhiside; 6,8-Di-Ac, Me ester C21H30O13 490.168641 NA MeJP NA NA +MJ072708 Sweroside; 6'-O-?-D-Apiofuranosyl C21H30O13 490.168641 NA MeJP NA NA +MJ072709 Teuhircoside; 5-O-Rhamnoside C21H30O13 490.168641 NA MeJP NA NA +C14123 BMS-268770 C23H30N4O4S2 490.1708 NA KEGG NA NA +C14124 Transferred to D02285 C23H30N4O4S2 490.1708 NA KEGG NA NA +PJ002633 PDEM C19H30N4O9S 490.1734 NA PeJP NA NA +PJ002634 GNDW C21H26N6O8 490.1812 NA PeJP NA NA +FL2FCBGM0001 5-Hydroxy-7,4'-dimethoxy-6,8-di-C-prenylflavanone 5-O-galactoside C25H30O10 490.18389 85687-90-7 knapsack NA NA +MJ072710 2,6,8-Trihydroxy-4(15),11(13)-elemadiene-3,1:12,9-diolide, 8-Angeloyl, 6-(2,3-epoxy-2-methylbutanoyl) C25H30O10 490.183897 NA MeJP NA NA +MJ072711 4',5,7-Trihydroxy-6,8-dimethylflavanone, 4',7-Di-Me ether, 5-O-?-D-galactopyranoside C25H30O10 490.183897 NA MeJP NA NA +MJ072712 5,6,8-Trihydroxy-28-norisotoonafolin, 12?-Hydroxy C25H30O10 490.183897 NA MeJP NA NA +MJ072713 Brachycalyxolide; 8-Deacyl, 8-(2-methyl-2-propenoyl) C25H30O10 490.183897 NA MeJP NA NA +MJ072714 Cachineside I; 7-O-Cinnamoyl C25H30O10 490.183897 NA MeJP NA NA +MJ072715 Salprotoside C25H30O10 490.183897 NA MeJP NA NA +MJ072716 Scoloposide C C25H30O10 490.183897 NA MeJP NA NA +PJ002635 GSPCQ C18H30N6O8S 490.1846 NA PeJP NA NA +PJ002636 VDEE C19H30N4O11 490.1911 NA PeJP NA NA +FL1DA9NC0008 Piperaduncin A C29H30O7 490.19915 155023-54-4 knapsack NA NA +FL2FA9NR0004 8-Prenyllepidissipyrone C29H30O7 490.19915 122616-68-6 knapsack NA NA +MJ072717 3-(4-Hydroxyphenyl)-5-methoxy-6-(3-methyl-2-butenyl)-3-(2-oxopropyl)-4H,8H-benzo[1,2-b:3',4'-b]dipyran-2,4(3H)-dione C29H30O7 490.199153 NA MeJP NA NA +MJ072718 Lepidissipyrone; 8-(3-Methyl-2-butenyl) C29H30O7 490.199153 NA MeJP NA NA +MJ072719 Piperaduncin A C29H30O7 490.199153 NA MeJP NA NA +PJ002637 GMHF C22H30N6O5S 490.1999 NA PeJP NA NA +3273 NA GRGDS 490.2019 celiac toxic Inhouse_peptide NA peptide +PJ002638 SQQE C18H30N6O10 490.2024 NA PeJP NA NA +PJ002639 PPDY C23H30N4O8 490.2064 NA PeJP NA NA +PJ002640 SNDR C17H30N8O9 490.2136 NA PeJP NA NA +PJ002641 GTQW C22H30N6O7 490.2176 NA PeJP NA NA +CJpos0809 Ketoretinoic acid Glucuronide (and isomers) [(M+H)]+ C26H35O9 490.219775 C18rt(min)=8.85 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0809 Ketoretinoic acid Glucuronide (and isomers) [(M+H)]+ C26H35O9 490.219775 C18rt(min)=8.85 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +MJ072720 1,2,3,6,11-Pentahydroxy-16-kauren-15-one, 6-Ketone, 2,3,11-tri-Ac C26H34O9 490.220282 NA MeJP NA NA +MJ072721 1,3,5,14,16-Pentahydroxy-19-oxobufa-20,22-dienolide, 3-Ac C26H34O9 490.220282 NA MeJP NA NA +MJ072722 1,4,6,8,9-Pentahydroxydihydro-?-agarofuran, 1-Benzoyl, 6,9-di-Ac C26H34O9 490.220282 NA MeJP NA NA +MJ072723 11,12-Epoxy-2,3,14-trihydroxy-5,8(17)-briaradien-18,7-olide, Tri-Ac C26H34O9 490.220282 NA MeJP NA NA +MJ072724 16-Kaurene-1,3,6,7,11,15-hexol, 6,15-Diketone, 1,7,11-tri-Ac C26H34O9 490.220282 NA MeJP NA NA +MJ072725 16-Kaurene-1,3,6,7,11,15-hexol, 6,15-Diketone, 3,7,11-tri-Ac C26H34O9 490.220282 NA MeJP NA NA +MJ072726 19-Acetoxycoleon Q; 6-Ac C26H34O9 490.220282 NA MeJP NA NA +MJ072727 2(3?20)-Abeo-2,5,7,13-tetrahydroxy-4(20),11-taxadiene-9,10-dione, 2,5,13-Tri-Ac C26H34O9 490.220282 NA MeJP NA NA +MJ072728 2,3,5,11,14-Pentahydroxy-12-oxobufa-20,22-dienolide, 2-Ac C26H34O9 490.220282 NA MeJP NA NA +MJ072729 3,3',4,4',5,9,9'-Heptahydroxylignan, 3,3',4',5-Tetra-Me ether, 9,9'-di-Ac C26H34O9 490.220282 NA MeJP NA NA +MJ072730 3,4-Epoxy-5,9,14-trihydroxy-7,11,15(17)-cembratrien-16,2-olide, Tri-Ac C26H34O9 490.220282 NA MeJP NA NA +MJ072731 4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-6,19,20-triol, Tri-Ac C26H34O9 490.220282 NA MeJP NA NA +MJ072732 4,18:15,16-Diepoxy-13(16),14-clerodadiene-3,6,12,19-tetrol, 12-Ketone, 3,6,19-tri-Ac C26H34O9 490.220282 NA MeJP NA NA +MJ072733 7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 11-Ketone, 1,6,15-tri-Ac C26H34O9 490.220282 NA MeJP NA NA +MJ072734 8,17-Epoxy-2,9,14-trihydroxy-5,11-briaradien-18,7-olide; Tri-Ac C26H34O9 490.220282 NA MeJP NA NA +MJ072735 Austalide B; 19?-Hydroxy C26H34O9 490.220282 NA MeJP NA NA +MJ072736 Bryophyllin B C26H34O9 490.220282 NA MeJP NA NA +MJ072737 Coleon R C26H34O9 490.220282 NA MeJP NA NA +MJ072738 Crocetin, Mono-?-D-glucopyranosyl ester C26H34O9 490.220282 NA MeJP NA NA +MJ072739 Havannahine; 1,19-Deepoxy C26H34O9 490.220282 NA MeJP NA NA +MJ072740 Myricanol; 11-O-?-D-Xylopyranoside C26H34O9 490.220282 NA MeJP NA NA +MJ072741 Nomilinic acid; O-De-Ac C26H34O9 490.220282 NA MeJP NA NA +MJ072742 Rabdoepigibberellolide C26H34O9 490.220282 NA MeJP NA NA +MJ072743 Shikokianoic acid; 6-Aldehyde, 11-Ac C26H34O9 490.220282 NA MeJP NA NA +MetaCyc03701 deoxylimononic acid D-ring-lactone [] C26H34O9 490.220283 NA metacyc NA NA +C04251 Deoxylimononic acid D-ring-lactone C26H34O9 490.2203 NA KEGG NA NA +C04253 Electron-transferring flavoprotein C26H34O9 490.2203 NA KEGG NA NA +CJneg0627 Ketoretinoic acid Glucuronide (and isomers) [(M-H)]- C26H33O9 490.220825 C18rt(min)=8.85 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0627 Ketoretinoic acid Glucuronide (and isomers) [(M-H)]- C26H33O9 490.220825 C18rt(min)=8.85 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +PJ002642 VNQM C19H34N6O7S 490.221 NA PeJP NA NA +MJ072744 Glimepiride C24H34N4O5S 490.22499 NA MeJP NA NA +C07669 Glimepiride C24H34N4O5S 490.225 NA KEGG NA NA +PJ002643 PPMF C24H34N4O5S 490.225 NA PeJP NA NA +MJ072745 Murrastifoline D C32H30N2O3 490.225642 NA MeJP NA NA +PJ002644 TLEE C20H34N4O10 490.2275 NA PeJP NA NA +PJ002645 PLMM C21H38N4O5S2 490.2284 NA PeJP NA NA +PJ002646 PTHH C21H30N8O6 490.2289 NA PeJP NA NA +MJ072746 Niludipine C25H34N2O8 490.231516 NA MeJP NA NA +PJ002647 GQMR C18H34N8O6S 490.2322 NA PeJP NA NA +FL2FACNP0002 Amorinin C30H34O6 490.23553 83677-05-8 knapsack NA NA +FL2FACNP0006 Amoridin C30H34O6 490.23553 119347-05-6 knapsack NA NA +FL2FACNP0011 Tanariflavanone B;5,7,4'-Trihydroxy-6-prenyl-6''-methyl,6''-(4-methylpent-3-enyl)-pyrano[2'',3'':3',2']flavanone C30H34O6 490.23553 352276-81-4 knapsack NA NA +FL2FALNP0016 Euchrenone a6 C30H34O6 490.23553 125140-21-8 knapsack NA NA +FL3FALNI0011 Rubraflavone C C30H34O6 490.23553 54835-67-5 knapsack NA NA +FL3FALNI0012 Moralbanone;2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-4H-1-benzopyran-4-one C30H34O6 490.23553 554403-01-9 knapsack NA NA +FL3FALNI0014 Artocommunol CD;2-(2,4-Dihydroxyphenyl)-3-[(2E)-3,7-dimethyl-2,6-octadienyl]-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C30H34O6 490.23553 502627-56-7 knapsack NA NA +FL3FALNI0016 Artelasticin;2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,6,8-tris(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C30H34O6 490.23553 182052-13-7 knapsack NA NA +FL3FALNI0018 Dorsilurin A;2-[2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C30H34O6 490.23553 212071-80-2 knapsack NA NA +FL3FQUNP0001 Dorsilurin E;2,(6Z)-6-(3,4,7,8,12,13-Hexahydro-2,2,6,6,13,13-hexamethyl-2H,6H,10H,11H-tripyrano[3,2-c:2',3'-f:2'',3''-h][1]benzopyran-10-ylidene)-3-hydroxy-4-cyclohexadien-1-one C30H34O6 490.23553 254101-17-2 knapsack NA NA +FLIAALNI0022 Euchrenone b2;5,7,2',4'-Tetrahydroxy-6,8,3'-triprenylisoflavone C30H34O6 490.23553 119061-10-8 knapsack NA NA +MJ072747 2',4',5,7-Tetrahydroxy-3',6,8-triprenylflavone C30H34O6 490.235538 NA MeJP NA NA +MJ072748 2',4',5,7-Tetrahydroxy-3',6,8-triprenylisoflavone C30H34O6 490.235538 NA MeJP NA NA +MJ072749 2',4',5,7-Tetrahydroxy-3,6,8-triprenylflavone C30H34O6 490.235538 NA MeJP NA NA +MJ072750 Amoridin C30H34O6 490.235538 NA MeJP NA NA +MJ072751 Amorinin C30H34O6 490.235538 NA MeJP NA NA +MJ072752 Decathieleanolide C30H34O6 490.235538 NA MeJP NA NA +MJ072753 Dorsilurin E C30H34O6 490.235538 NA MeJP NA NA +MJ072754 Euchrenone a6 C30H34O6 490.235538 NA MeJP NA NA +MJ072755 Isoamoridin C30H34O6 490.235538 NA MeJP NA NA +MJ072756 Rubraflavone A; 5-Hydroxy, 6-(3-methyl-2-butenyl) C30H34O6 490.235538 NA MeJP NA NA +MJ072757 Sanggenol B C30H34O6 490.235538 NA MeJP NA NA +MJ072758 Tanariflavanone B C30H34O6 490.235538 NA MeJP NA NA +MJ072759 Pomisartan C31H30N4O2 490.236876 NA MeJP NA NA +PJ002648 SQKE C19H34N6O9 490.2387 NA PeJP NA NA +PJ002649 GGTKE C19H34N6O9 490.2388 NA PeJP NA NA +PJ002650 PVEF C24H34N4O7 490.2428 NA PeJP NA NA +PJ002651 GCRR C17H34N10O5S 490.2435 NA PeJP NA NA +PJ002652 VLEM C21H38N4O7S 490.2461 NA PeJP NA NA +MJ072760 6-Butyl-2-(2-phenylethyl)-5-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4(1H)-pyrimidinone C30H30N6O 490.248109 NA MeJP NA NA +MJ072761 Jaborosalactone C C28H39ClO5 490.248602 NA MeJP NA NA +MJ072762 Jaborosalactone E C28H39ClO5 490.248602 NA MeJP NA NA +PJ002653 STQR C18H34N8O8 490.25 NA PeJP NA NA +PJ002654 GTKW C23H34N6O6 490.254 NA PeJP NA NA +MJ072763 1,10:4,5-Diepoxy-11(13)-germacrene-3,8,9-triol, 3,8-Diangeloyl, 9-Ac C27H38O8 490.256668 NA MeJP NA NA +MJ072764 1,10:4,5-Diepoxy-11(13)-germacrene-3,8,9-triol, 3,9-Diangeloyl, 8-Ac C27H38O8 490.256668 NA MeJP NA NA +MJ072765 1,10:4,5-Diepoxy-11(13)-germacrene-3,8,9-triol, 3-Angeloyl, 8-(3-methyl-2-butenoyl), 9-Ac C27H38O8 490.256668 NA MeJP NA NA +MJ072766 18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 6-Me ether, 2,18,19-tri-Ac C27H38O8 490.256668 NA MeJP NA NA +MJ072767 2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 14,15-Dihydro, 19-tigloyl, 6-Ac C27H38O8 490.256668 NA MeJP NA NA +MJ072768 2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 19-(2S-Methylbutanoyl), 6-Ac C27H38O8 490.256668 NA MeJP NA NA +MJ072769 2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 14,15-Dihydro, 19-tigloyl, 6-Ac C27H38O8 490.256668 NA MeJP NA NA +MJ072770 3,4:10,11-Diepoxy-7(14)-bisabolene-1,2,8-triol; 1,8-Diangeloyl, 2-Ac C27H38O8 490.256668 NA MeJP NA NA +MJ072771 3,4:10,11-Diepoxy-7(14)-bisabolene-1,2,8-triol; 2,8-Diangeloyl, 1-Ac C27H38O8 490.256668 NA MeJP NA NA +MJ072772 4,18-Epoxy-3,6,19-trihydroxy-13-cleroden-15,16-olide, 19-Tigloyl, 6-Ac C27H38O8 490.256668 NA MeJP NA NA +MJ072773 4,18-Epoxy-6,19-dihydroxy-13-cleroden-15,16-olide, 19-(3-Hydroxy-2-methylenebutanoyl), 6-Ac C27H38O8 490.256668 NA MeJP NA NA +MJ072774 7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 1,11-Isopropylidene, 6,15-di-Ac C27H38O8 490.256668 NA MeJP NA NA +MJ072775 8,15-Isopimaradiene-1,7,14,18-tetrol, 18-Carboxylic acid, 1,7,14-tri-Ac, Me ester C27H38O8 490.256668 NA MeJP NA NA +MJ072776 Ingol; 8-Tigloyl, 12-Ac C27H38O8 490.256668 NA MeJP NA NA +MJ072777 Lucidenic acid H; 7-Ketone, 12?-Hydroxy C27H38O8 490.256668 NA MeJP NA NA +PJ002655 VNKM C20H38N6O6S 490.2574 NA PeJP NA NA +MJ072778 Cytoblastin C28H34N4O4 490.258005 NA MeJP NA NA +MJ072779 Mauritine C C28H34N4O4 490.258005 NA MeJP NA NA +MJ072780 Mobenzoxamine C30H35FN2O3 490.263171 NA MeJP NA NA +PJ002656 VVHH C22H34N8O5 490.2652 NA PeJP NA NA +3331 human beta-casein fr,58-61 LVYP 490.267 celiac toxic Inhouse_peptide NA peptide +MJ072781 Schizanthine E C26H38N2O7 490.267901 NA MeJP NA NA +MJ072782 Schizanthine X; 6-O-Deangeloyl C26H38N2O7 490.267901 NA MeJP NA NA +MJ072783 Schizanthine X; 6-O-deangeloyl C26H38N2O7 490.267901 NA MeJP NA NA +PJ002657 GKMR C19H38N8O5S 490.2686 NA PeJP NA NA +MJ072784 Dexamethasone; 21-(3,3-Dimethylbutanoyl) C28H39FO6 490.273067 NA MeJP NA NA +PJ002658 SKKE C20H38N6O8 490.2751 NA PeJP NA NA +PJ002659 PVLY C25H38N4O6 490.2792 NA PeJP NA NA +MJ072785 4-Chloro-3,23-dioxostigmast-4-en-21-oic acid; 24?-form C29H43ClO4 490.284987 NA MeJP NA NA +PJ002660 STKR C19H38N8O7 490.2864 NA PeJP NA NA +MJ072786 18,19-Epoxy-13(16),14-clerodadiene-2,18,19-triol; 2-(Methylpropanoyl), 18,19-Di-Ac C28H42O7 490.293053 NA MeJP NA NA +MJ072787 2,4,9-Trihydroxy-10(14)-oplopen-3-one, 9-(3-Methyl-2E-pentenoyl), 2-(2-methylbutanoyl), 4-Ac C28H42O7 490.293053 NA MeJP NA NA +MJ072788 3(15),6-Caryophylladien-13-ol, O-(3-O-Acetyl-4-O-angeloyl-6-deoxy-?-D-glucopyranoside) C28H42O7 490.293053 NA MeJP NA NA +MJ072789 3,11,12,14-Tetrahydroxypregn-5-en-20-one, 11-(3-Methylbutanoyl), 12-Ac C28H42O7 490.293053 NA MeJP NA NA +MJ072790 3,11,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3-Methylbutanoyl), 11-Ac C28H42O7 490.293053 NA MeJP NA NA +MJ072791 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl) C28H42O7 490.293053 NA MeJP NA NA +MJ072792 4,5,6,27-Tetrahydroxy-1-oxowith-24-enolide C28H42O7 490.293053 NA MeJP NA NA +MJ072793 6,13-Epoxy-4(18),8-eunicelladiene-2,3,12-triol, 12-Butanoyl, 2,3-di-Ac C28H42O7 490.293053 NA MeJP NA NA +MJ072794 8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 11-(2-Methylbutanoyl), 12-Ac C28H42O7 490.293053 NA MeJP NA NA +MJ072795 Colletotrichin C28H42O7 490.293053 NA MeJP NA NA +MJ072796 Hemibrevetoxin B C28H42O7 490.293053 NA MeJP NA NA +MJ072797 Jaborosalactol M C28H42O7 490.293053 NA MeJP NA NA +MJ072798 Pregn-5-ene-3,12,14,17,20-pentol, 12-Tigloyl, 20-Ac C28H42O7 490.293053 NA MeJP NA NA +PJ002661 CLKK C21H42N6O5S 490.2938 NA PeJP NA NA +PJ002662 VLLF C26H42N4O5 490.3155 NA PeJP NA NA +MJ072799 Acozerine C31H42N2O3 490.319543 NA MeJP NA NA +MJ072800 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 3-Ac C29H46O6 490.329439 NA MeJP NA NA +MJ072801 3,5,6-Trihydroxy-9-oxo-9,11-secocholest-7-en-11-al, 3-Ac C29H46O6 490.329439 NA MeJP NA NA +MJ072802 6,7-Dihydroxy-3,13-clerodadien-15-oic acid, 13,14-Dihydro, 6-(2-methylpropanoyl), 7-angeloyl C29H46O6 490.329439 NA MeJP NA NA +MJ072803 7,13-Labdadiene-3,15-diol, 3-Malonyl, 15-(3-methylpentanoyl) C29H46O6 490.329439 NA MeJP NA NA +MJ072804 7,20,23,29-Tetrahydroxy-28-nor-3,16-lupanedione C29H46O6 490.329439 NA MeJP NA NA +MJ072805 9,11-Epoxycholest-7-ene-3,5,6,19-tetrol, 6-Ac C29H46O6 490.329439 NA MeJP NA NA +MJ072806 Pogosterol C29H46O6 490.329439 NA MeJP NA NA +MJ072807 Homaline C30H42N4O2 490.330776 NA MeJP NA NA +C10599 Homaline C30H42N4O2 490.3308 NA KEGG NA NA +MJ072808 Reticulataxanthin; 7',8'-Dihydro, 8'-hydroxy C33H46O3 490.344695 NA MeJP NA NA +MJ072809 Culantraramine C32H46N2O2 490.355928 NA MeJP NA NA +C08931 Barringtogenol C C30H50O5 490.3658 NA KEGG NA NA +C16783 Meliantriol C30H50O5 490.3658 NA KEGG NA NA +C17459 Alisol A C30H50O5 490.3658 NA KEGG NA NA +MJ072810 11,23,24,25-Tetrahydroxyprotost-13(17)-en-3-one C30H50O5 490.365824 NA MeJP NA NA +MJ072811 12,20,25-Trihydroxy-3,4-secodammara-4(28),23-dien-3-oic acid C30H50O5 490.365824 NA MeJP NA NA +MJ072812 12-Oleanene-2,3,19,23,28-pentol C30H50O5 490.365824 NA MeJP NA NA +MJ072813 12-Oleanene-3,15,16,22,28-pentol C30H50O5 490.365824 NA MeJP NA NA +MJ072814 12-Oleanene-3,16,21,22,28-pentol C30H50O5 490.365824 NA MeJP NA NA +MJ072815 12-Oleanene-3,16,21,23,28-pentol C30H50O5 490.365824 NA MeJP NA NA +MJ072816 12-Oleanene-3,16,22,23,28-pentol C30H50O5 490.365824 NA MeJP NA NA +MJ072817 12-Oleanene-3,21,22,24,29-pentol C30H50O5 490.365824 NA MeJP NA NA +MJ072818 12-Ursene-2,3,19,23,24-pentol C30H50O5 490.365824 NA MeJP NA NA +MJ072819 12-Ursene-3,15,16,22,28-pentol C30H50O5 490.365824 NA MeJP NA NA +MJ072820 13,28-Epoxy-3,16,22,23-oleananetetrol C30H50O5 490.365824 NA MeJP NA NA +MJ072821 13,28-Epoxy-3,16,22,28-oleananetetrol C30H50O5 490.365824 NA MeJP NA NA +MJ072822 14-Serratene-3,20,21,24,30-pentol C30H50O5 490.365824 NA MeJP NA NA +MJ072823 16,22-Epoxy-24-dammarene-3,15,16,20-tetrol C30H50O5 490.365824 NA MeJP NA NA +MJ072824 16,23,24,25-Tetrahydroxycycloartan-3-one C30H50O5 490.365824 NA MeJP NA NA +MJ072825 2-Heneicosyl-5,7-dihydroxy-4H-1-benzopyran-4-one; 2,3-Dihydro, 2-hydroxy C30H50O5 490.365824 NA MeJP NA NA +MJ072826 20,24-Epoxy-24,25-dihydroxy-3,4-secodammar-4(28)-en-3-oic acid C30H50O5 490.365824 NA MeJP NA NA +MJ072827 20,24-Epoxy-3,25,30-trihydroxydammaran-16-one C30H50O5 490.365824 NA MeJP NA NA +MJ072828 20,24-Epoxycycloartane-3,12,16,25-tetrol C30H50O5 490.365824 NA MeJP NA NA +MJ072829 20,24-Epoxycycloartane-3,6,16,25-tetrol C30H50O5 490.365824 NA MeJP NA NA +MJ072830 20,24-Epoxydammarane-3,12,23,25-tetrol, 3-Ketone C30H50O5 490.365824 NA MeJP NA NA +MJ072831 20,24-Epoxylanost-9(11)-ene-3,6,16,25-tetrol C30H50O5 490.365824 NA MeJP NA NA +MJ072832 20,25,26-Trihydroxy-3,4-secodammara-4(28),23-dien-3-oic acid C30H50O5 490.365824 NA MeJP NA NA +MJ072833 22-Dihydroyardenone C30H50O5 490.365824 NA MeJP NA NA +MJ072834 23,24,25-Trihydroxyprotost-13(17)-en-3-one, 13?,17?-Epoxide C30H50O5 490.365824 NA MeJP NA NA +MJ072835 3,19:20,24-Diepoxydammarane-3,17,25-triol C30H50O5 490.365824 NA MeJP NA NA +MJ072836 3,24,25-Trihydroxycycloartan-30-oic acid C30H50O5 490.365824 NA MeJP NA NA +MJ072837 3,24,25-Trihydroxylanost-9(11)-en-30-oic acid C30H50O5 490.365824 NA MeJP NA NA +MJ072838 3,5,25-Trihydroxyergostan-6-one, 25-Ac C30H50O5 490.365824 NA MeJP NA NA +MJ072839 5,6-Epoxy-1,3,11-trihydroxy-9,11-secogorgostan-9-one C30H50O5 490.365824 NA MeJP NA NA +MJ072840 5,6-Epoxy-3,7,11-trihydroxy-9,11-secogorgostan-9-one C30H50O5 490.365824 NA MeJP NA NA +MJ072841 7,24,25,26-Tetrahydroxylanost-8-en-3-one, 7-Ketone, 3?-alcohol C30H50O5 490.365824 NA MeJP NA NA +MJ072842 9(11)-Arborinene-2,3,7,19,28-pentol C30H50O5 490.365824 NA MeJP NA NA +MJ072843 Cordialin B C30H50O5 490.365824 NA MeJP NA NA +MJ072844 Cycloartane-3,6,16,24,25-pentol, 3-Ketone C30H50O5 490.365824 NA MeJP NA NA +MJ072845 Cycloartane-3,6,16,24,25-pentol, 6-Ketone C30H50O5 490.365824 NA MeJP NA NA +MJ072846 Ergost-22-ene-3,5,6,25-tetrol, 25-Ac C30H50O5 490.365824 NA MeJP NA NA +MJ072847 Ergost-22-ene-3,5,6,7-tetrol, 7-Ac C30H50O5 490.365824 NA MeJP NA NA +MJ072848 Ergost-24(28)-ene-3,5,6,11-tetrol, 11-Ac C30H50O5 490.365824 NA MeJP NA NA +MJ072849 Ergosta-5,24(28)-diene-1,3,11,18-tetrol, 24,28-Dihydro, 18-Ac C30H50O5 490.365824 NA MeJP NA NA +MJ072850 Ergosta-5,24(28)-diene-1,3,11,18-tetrol, 5?,6-Dihydro, 18-Ac C30H50O5 490.365824 NA MeJP NA NA +MJ072851 Gorgost-5-ene-1,3,9,11,21-pentol C30H50O5 490.365824 NA MeJP NA NA +MJ072852 Gorgost-5-ene-3,7,9,11,21-pentol C30H50O5 490.365824 NA MeJP NA NA +MJ072853 Iridogermanal; 21-Deoxy, 17?,26-dihydroxy C30H50O5 490.365824 NA MeJP NA NA +MJ072854 Iridogermanal; 22,23-Epoxide C30H50O5 490.365824 NA MeJP NA NA +MJ072855 Lyofoligenic acid C30H50O5 490.365824 NA MeJP NA NA +MJ072856 Melianotriol C30H50O5 490.365824 NA MeJP NA NA +MJ072857 Sapelin D C30H50O5 490.365824 NA MeJP NA NA +MJ072858 Sipholenol C; 16-oxo C30H50O5 490.365824 NA MeJP NA NA +MJ072859 Sodwanone E C30H50O5 490.365824 NA MeJP NA NA +MJ072860 Sodwanone I C30H50O5 490.365824 NA MeJP NA NA +MJ072861 Sodwanone K C30H50O5 490.365824 NA MeJP NA NA +MJ072862 Sodwanone M C30H50O5 490.365824 NA MeJP NA NA +MJ072863 Sodwanone P C30H50O5 490.365824 NA MeJP NA NA +MJ072864 ost-7-ene-3,5,6,25-tetrol, 25-Ac C30H50O5 490.365824 NA MeJP NA NA +MJ072865 3-(Octadecyloxy)-1,2-propanediol, 1-O-?-L-Fucopyranoside C27H54O7 490.386954 NA MeJP NA NA +MJ072866 3-(Octadecyloxy)-1,2-propanediol, 3-O-(6-Deoxy-?-D-allopyranoside) C27H54O7 490.386954 NA MeJP NA NA +MJ072867 Buxamine I; 9a,10-Dihydro, N20,N20-di-Me, N3-benzoyl C33H50N2O 490.392314 NA MeJP NA NA +MJ072868 Pregnane-3,20-diamine, N3,N20,N20-Tri-Me, N3-cinnamoyl(E-) C33H50N2O 490.392314 NA MeJP NA NA +MJ072869 3,11-Dihydroxy-7-drimen-6-one, 3-Deoxy, 7?,8?-epoxy, 11-hexadecanoyl C31H54O4 490.40221 NA MeJP NA NA +MJ072870 Furospinulosin 3 C35H54O 490.417466 NA MeJP NA NA +MJ072871 24-Tritriacontene-2,4-dione C33H62O2 490.474981 NA MeJP NA NA +3569 NA IQSEPKAIP 490.7675 MH2+ Inhouse_peptide NA peptide +MJ072872 N-[[[4-[(5-Bromo-2-pyrimidinyl)oxy]-3-chlorophenyl]amino]carbonyl]-2-nitrobenzamide C18H11BrClN5O5 490.963208 NA MeJP NA NA +C00131 dATP C10H16N5O12P3 491.0008 NA KEGG NA NA +HMDB01532 dATP C10H16N5O12P3 491.00082 http://www.hmdb.ca/metabolites/HMDB01532 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01532 dATP C10H16N5O12P3 491.00082 http://www.hmdb.ca/metabolites/HMDB01532 HMDB NA NA +HMDB01532 dATP C10H16N5O12P3 491.00082 http://www.hmdb.ca/metabolites/HMDB01532 PFEM_hmdb_metabocards_blood NA blood +HMDB01532 dATP C10H16N5O12P3 491.00082 HMDB01532 PFEM_hmdb_metabocards_official NA NA +HMDB01532 dATP C10H16N5O12P3 491.000824 NA HMDB2010 NA NA +MJ072873 dATP C10H16N5O12P3 491.00083 NA MeJP NA NA +MetaCyc03702 dATP [2'-deoxyadenosine triphosphate;deoxy-ATP;deoxyadenosine-triphosphate;2'-deoxyadenosine-5'-triphosphate;] C10H16N5O12P3 491.000831 1927-31-7 metacyc NA NA +MJ072874 Sulisatin C21H17NO9S2 491.034472 NA MeJP NA NA +MJ072875 Cefoxazole C21H18ClN3O7S 491.055398 NA MeJP NA NA +MJ072876 8-(Methylthio)-3-oxooctyl glucosinolate C16H29NO10S3 491.095358 NA MeJP NA NA +FL7AACGA0015 Cyanidin 3-(6-acetylgalactoside) C23H23O12 491.11895 481655-63-4 knapsack NA NA +FL7AACGL0022 Cyanidin 3-(4''-acetylglucoside) C23H23O12 491.11895 88395-42-0 knapsack NA NA +FL7AACGL0023 Cyanidin 3-(6''-acetylglucoside) C23H23O12 491.11895 133080-31-6 knapsack NA NA +MJ072877 2-[4-[4-(7-Chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]butyl]-1,2-benzisothiazol-3(2H)-one; S,S-Dioxide C23H26ClN3O5S 491.128169 NA MeJP NA NA +MJ072878 9-(Methylthio)nonyl glucosinolate C17H33NO9S3 491.131743 NA MeJP NA NA +MJ072879 4-(2-Nitroethyl)phenol; O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranoside] C23H25NO11 491.14276 NA MeJP NA NA +MJ072880 Polyoxin G C17H25N5O12 491.149971 NA MeJP NA NA +MJ072881 Polyoxin J C17H25N5O12 491.149971 NA MeJP NA NA +PJ002663 NDDE C17H25N5O12 491.15 NA PeJP NA NA +FL7ABIGS0001 Capensinin C24H27O11 491.15533 - knapsack NA NA +PJ002664 GDDW C21H25N5O9 491.1653 NA PeJP NA NA +PJ002665 GSPCE C18H29N5O9S 491.1686 NA PeJP NA NA +C11813 Demethylalangiside C24H29NO10 491.1791 NA KEGG NA NA +C11814 Demethylisoalangiside C24H29NO10 491.1791 NA KEGG NA NA +MJ072882 Alangiside; O-De-Me C24H29NO10 491.179146 NA MeJP NA NA +MJ072883 Neoalangiside; O-De-Me C24H29NO10 491.179146 NA MeJP NA NA +PJ002666 NNNM C17H29N7O8S 491.1798 NA PeJP NA NA +PJ002667 GGNNM C17H29N7O8S 491.1799 NA PeJP NA NA +PJ002668 SPCW C22H29N5O6S 491.1839 NA PeJP NA NA +PJ002669 SQEE C18H29N5O11 491.1864 NA PeJP NA NA +PJ002670 PNMM C19H33N5O6S2 491.1872 NA PeJP NA NA +PJ002671 GGPMM C19H33N5O6S2 491.1873 NA PeJP NA NA +MJ072884 3-[[(4-Butoxybenzoyl)oxy]-2-methylbutyl]triethylammonium(1+); Iodide C22H38INO3 491.189637 NA MeJP NA NA +7943 synthetic peptide YYF 491.194 antioxidative Inhouse_peptide NA peptide +7961 synthetic peptide FYY 491.194 antioxidative Inhouse_peptide NA peptide +7963 synthetic peptide YFY 491.194 antioxidative Inhouse_peptide NA peptide +MJ072885 Rocaglatic acid; Methylamide C28H29NO7 491.194402 NA MeJP NA NA +PJ002672 SDDR C17H29N7O10 491.1976 NA PeJP NA NA +PJ002673 GTEW C22H29N5O8 491.2016 NA PeJP NA NA +PJ002674 VNEM C19H33N5O8S 491.205 NA PeJP NA NA +PJ002675 FYY C27H29N3O6 491.2056 NA PeJP NA NA +MJ072886 Barnidipine C27H29N3O6 491.205635 NA MeJP NA NA +MJ072887 Erythrartine; Me ether, O15-de-Me, O-?-D-glucopyranoside C25H33NO9 491.215531 NA MeJP NA NA +MJ072888 Erythrartine; Me ether, O16-de-Me, O-?-D-glucopyranoside C25H33NO9 491.215531 NA MeJP NA NA +MJ072889 Ryania diterpene ester C2 C25H33NO9 491.215531 NA MeJP NA NA +MJ072890 Ryanodine; 8,9-Didehydro C25H33NO9 491.215531 NA MeJP NA NA +MJ072891 Ryanodine; 9,21-Didehydro C25H33NO9 491.215531 NA MeJP NA NA +PJ002676 GEMR C18H33N7O7S 491.2162 NA PeJP NA NA +PJ002677 GGGACK C18H33N7O7S 491.2163 NA PeJP NA NA +PJ002678 TWW C26H29N5O5 491.2169 NA PeJP NA NA +MJ072892 Gliamilide C23H33N5O5S 491.220239 NA MeJP NA NA +PJ002679 GVMW C23H33N5O5S 491.2203 NA PeJP NA NA +MJ072893 Benthocyanin C C31H29N3O3 491.220891 NA MeJP NA NA +CJneg0628 Ketoretinoic acid glucuronide isomer [(M-H)]- (13C) C2513CH33O9 491.221325 C18rt(min)=8.85 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0628 Ketoretinoic acid glucuronide isomer [(M-H)]- (13C) C2513CH33O9 491.221325 C18rt(min)=8.85 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +PJ002680 SKEE C19H33N5O10 491.2228 NA PeJP NA NA +PJ002681 AQHH C20H29N9O6 491.2241 NA PeJP NA NA +7904 NA SALAM 491.2304 antioxidative Inhouse_peptide NA peptide +MJ072894 Hetisan-1,2,9,15-tetrol, 2-Benzoyl, 1-Ac C29H33NO6 491.230787 NA MeJP NA NA +MJ072895 Hetisan-2,11,13,14-tetrol, 13-Benzoyl, 2-Ac C29H33NO6 491.230787 NA MeJP NA NA +MJ072896 Speciosine, O-Me C29H33NO6 491.230787 NA MeJP NA NA +PJ002682 MRW C22H33N7O4S 491.2315 NA PeJP NA NA +PJ002683 STER C18H33N7O9 491.234 NA PeJP NA NA +PJ002684 SSLW C23H33N5O7 491.238 NA PeJP NA NA +PJ002685 VDKM C20H37N5O7S 491.2414 NA PeJP NA NA +MJ072897 Paraherquamide D C28H33N3O5 491.242021 NA MeJP NA NA +MJ072898 Pentacynium(2+); Dichloride C27H39Cl2N3O 491.247018 NA MeJP NA NA +PJ002686 GPRY C22H33N7O6 491.2493 NA PeJP NA NA +MJ072899 Antibiotic BR 040 C26H37NO8 491.251917 NA MeJP NA NA +MJ072900 Dictyocarpinine; 2,3-Didehydro, 6-Ac C26H37NO8 491.251917 NA MeJP NA NA +MJ072901 Epilupinine, O-[?-L-Rhamnopyranosyl-(1?4)-4-hydroxy-3-methoxy-E-cinnamoyl] C26H37NO8 491.251917 NA MeJP NA NA +MJ072902 Keitine; 3'-Demethoxy, O4'-?-D-glucopyranoside C26H37NO8 491.251917 NA MeJP NA NA +MJ072903 Lupinine, O-[?-L-Rhamnopyranosyl-(1?4)-4-hydroxy-3-methoxy-E-cinnamoyl] C26H37NO8 491.251917 NA MeJP NA NA +MJ072904 Pergilone C26H37NO8 491.251917 NA MeJP NA NA +MJ072905 Siwanine A; O14-De-Me C26H37NO8 491.251917 NA MeJP NA NA +PJ002687 SVMR C19H37N7O6S 491.2526 NA PeJP NA NA +PJ002688 GTTTL C20H37N5O9 491.2591 NA PeJP NA NA +MJ072906 Mutamicin 1A C20H37N5O9 491.259127 NA MeJP NA NA +PJ002689 AKHH C21H33N9O5 491.2605 NA PeJP NA NA +2829 PEP inhibitor APPTPPPLPP 491.266 MH2+ Inhouse_peptide NA peptide +MJ072907 Antibiotic AF 140 C30H37NO5 491.267173 NA MeJP NA NA +MJ072908 Pentagydine; 16-Demethoxy, 8-cinnamoyl C30H37NO5 491.267173 NA MeJP NA NA +MJ072909 Zygosporin D; 18-Deoxy, 21-Ac C30H37NO5 491.267173 NA MeJP NA NA +MJ072910 Zygosporin G C30H37NO5 491.267173 NA MeJP NA NA +C12039 Epothilone D C27H41NO5S 491.2705 NA KEGG NA NA +MJ072911 Epothilone D C27H41NO5S 491.270544 NA MeJP NA NA +PJ002690 PTKF C24H37N5O6 491.2744 NA PeJP NA NA +MJ072912 Lidoflazine C30H35F2N3O 491.274819 NA MeJP NA NA +PJ002691 TLKM C21H41N5O6S 491.2778 NA PeJP NA NA +PJ002692 GLFR C23H37N7O5 491.2856 NA PeJP NA NA +MJ072913 Delpheline; 1-Epimer, 6-Ac C27H41NO7 491.288302 NA MeJP NA NA +MJ072914 Delpheline; Ac C27H41NO7 491.288302 NA MeJP NA NA +MJ072915 Funiculosin C27H41NO7 491.288302 NA MeJP NA NA +MJ072916 Talatizamine; O1-De-Me, 8,14-di-Ac C27H41NO7 491.288302 NA MeJP NA NA +MJ072917 Zygadenilic acid ?-lactone C27H41NO7 491.288302 NA MeJP NA NA +C16562 Glutathionylspermine C20H41N7O5S 491.289 NA KEGG NA NA +C03524 N2'-Acetylgentamicin C1a C21H41N5O8 491.2955 NA KEGG NA NA +MetaCyc03703 N2'-acetylgentamicin C1A [] C21H41N5O8 491.295513 NA metacyc NA NA +EUR716 LysoPE(20:2) [M-H-CH3]- C25H48NO7P 491.301192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR871 Lyso PE 20:2 [M-H-CH3]- C25H48NO7P 491.301192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR716 LysoPE(20:2) [M-H-CH3]- C25H48NO7P 491.301192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR871 Lyso PE 20:2 [M-H-CH3]- C25H48NO7P 491.301192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR716 LysoPE(20:2) [M-H-CH3]- C25H48NO7P 491.301192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR871 Lyso PE 20:2 [M-H-CH3]- C25H48NO7P 491.301192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR716 LysoPE(20:2) [M-H-CH3]- C25H48NO7P 491.301192 masses lipides attendues Inhousejuil11 NA NA +EUR871 Lyso PE 20:2 [M-H-CH3]- C25H48NO7P 491.301192 masses lipides attendues Inhousejuil11 NA NA +PJ002693 VVKF C25H41N5O5 491.3108 NA PeJP NA NA +MJ072918 3,14,15-Trihydroxypregn-5-en-20-one, 3-O-(4-Amino-2,4,6-trideoxy-3-O-methyl-?-D-ribo-hexopyranoside) C28H45NO6 491.324688 NA MeJP NA NA +MJ072919 Coumingidine C28H45NO6 491.324688 NA MeJP NA NA +MJ072920 Norcassaidide; 7-Ketone, O3-(3-hydroxy-3-methylbutanoyl) C28H45NO6 491.324688 NA MeJP NA NA +MJ072921 Talatizamine; O8-Et, O14-Ac C28H45NO6 491.324688 NA MeJP NA NA +MJ072922 Antibiotic XK 62-4 C22H45N5O7 491.331898 NA MeJP NA NA +MJ072923 Antibiotic XK 62-6; N6'-Me C22H45N5O7 491.331898 NA MeJP NA NA +MJ072924 Antibiotic XK 62-8 C22H45N5O7 491.331898 NA MeJP NA NA +MJ072925 Phenalamide A1 C32H45NO3 491.339944 NA MeJP NA NA +MJ072926 3,14-Dihydroxypregnan-20-one, 3-O-(2,4,6-Trideoxy-3-O-methyl-4-methylamino-?-D-ribo-hexopyranoside) C29H49NO5 491.361073 NA MeJP NA NA +MJ072927 Lipstatin C29H49NO5 491.361073 NA MeJP NA NA +7854 NA YGGFMRRV~ 491.7497 MH2+ Inhouse_peptide NA peptide +3056 NA GKVLKKRR 491.8285 MH2+ Inhouse_peptide NA peptide +7772 ACTH-like peptide GKVLKKRR 491.8285 MH2+ Inhouse_peptide NA peptide +MJ072928 Waianaeamine A C17H19Br2ClN2O3 491.945095 NA MeJP NA NA +MJ072929 Waianaeamine B C17H19Br2ClN2O3 491.945095 NA MeJP NA NA +FL5FECNSS004 Patuletin 3,3'-di-O-sulfate C16H12O14S2 491.96684 108925-76-4 knapsack NA NA +MJ072930 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3,3'-Di-O-sulfate C16H12O14S2 491.966846 NA MeJP NA NA +C01345 dITP C10H15N4O13P3 491.9848 NA KEGG NA NA +HMDB03537 2'-Deoxyinosine triphosphate C10H15N4O13P3 491.984833 NA HMDB2010 NA NA +MJ072931 dITP C10H15N4O13P3 491.984846 NA MeJP NA NA +MetaCyc03704 dITP [deoxyinosine triphosphate;] C10H15N4O13P3 491.984846 NA metacyc NA NA +HMDB03537 2'-Deoxyinosine triphosphate C10H15N4O13P3 491.98486 http://www.hmdb.ca/metabolites/HMDB03537 HMDB NA NA +HMDB03537 2'-Deoxyinosine triphosphate C10H15N4O13P3 491.98486 HMDB03537 PFEM_hmdb_metabocards_official NA NA +EUR352 Flavine adenine dinucleotide F2 F2 492.014075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR352 Flavine adenine dinucleotide F2 NA 492.014075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR352 Flavine adenine dinucleotide F2 F2 492.014075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR352 Flavine adenine dinucleotide F2 NA 492.014075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR352 Flavine adenine dinucleotide F2 F2 492.014075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR352 Flavine adenine dinucleotide F2 NA 492.014075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR352 Flavine adenine dinucleotide F2 F2 492.014075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR352 Flavine adénine dinucléotide F2 F2 492.014075 standards wishlist analysés sur QTOF HMDB NA NA +EUR352 Flavine adenine dinucleotide F2 F2 492.014075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR352 Flavine adenine dinucleotide F2 NA 492.014075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR352 Flavine adenine dinucleotide F2 F2 492.014075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR352 Flavine adenine dinucleotide F2 F2 492.014075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ072932 Pinnatifidine C19H26Br2O5 492.014699 NA MeJP NA NA +MJ072933 Fringelite F; 11-Hydroxy C28H12O9 492.048131 NA MeJP NA NA +MJ072934 Griseorhodin C; 7,8-Dideoxy, 6-ketone C25H16O11 492.069261 NA MeJP NA NA +MJ072935 Isoplagiochin C; 2,12-Dichloro, 7',8'-dihydro C28H22Cl2O4 492.089514 NA MeJP NA NA +MJ072936 Isoplagiochin C; 6',12-Dichloro, 7',8'-dihydro C28H22Cl2O4 492.089514 NA MeJP NA NA +MJ072937 Isoplagiochin C; 7',12-Dichloro, 7',8'-dihydro C28H22Cl2O4 492.089514 NA MeJP NA NA +MJ072938 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-?-D-Glucuronopyranoside C22H20O13 492.09039 NA MeJP NA NA +MJ072939 3',4',5,7-Tetrahydroxy-6-methoxyflavone; 7-O-?-D-Glucuronopyranoside C22H20O13 492.09039 NA MeJP NA NA +MJ072940 3',5,7,8-Tetrahydroxy-4'-methoxyflavone; 8-O-?-D-Glucuronopyranoside C22H20O13 492.09039 NA MeJP NA NA +MJ072941 3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Glucuronopyranoside, Me ester C22H20O13 492.09039 NA MeJP NA NA +MJ072942 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3'-O-?-D-Glucuronopyranoside C22H20O13 492.09039 NA MeJP NA NA +MJ072943 3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-?-D-Glucuronopyranoside C22H20O13 492.09039 NA MeJP NA NA +MJ072944 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 7-O-?-D-Glucuronopyranoside C22H20O13 492.09039 NA MeJP NA NA +MJ072945 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Glucuronopyranoside C22H20O13 492.09039 NA MeJP NA NA +MJ072946 3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-?-D-Glucuronopyranoside C22H20O13 492.09039 NA MeJP NA NA +MJ072947 4',5,6,7-Tetrahydroxy-3'-methoxyflavone; 7-O-?-D-Glucuronoside C22H20O13 492.09039 NA MeJP NA NA +MJ072948 4',5,7,8-Tetrahydroxy-3'-methoxyflavone; 8-O-?-D-Glucuronopyranoside C22H20O13 492.09039 NA MeJP NA NA +MJ072949 6,7-Dihydroxy-2H-1-benzopyran-2-one; 6-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C22H20O13 492.09039 NA MeJP NA NA +MJ072950 Carmine red C22H20O13 492.09039 NA MeJP NA NA +MJ072951 Ellagic acid; 2,3-Di-Me ether, 8-O-?-D-glucopyranoside C22H20O13 492.09039 NA MeJP NA NA +MJ072952 Ellagic acid; 3,8-Di-Me ether, 2-O-?-D-glucopyranoside C22H20O13 492.09039 NA MeJP NA NA +FL3FAHGS0003 Tricetin 3'-methyl ether 7-glucuronide; 2-(3,4-Dihydroxy-5-methoxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid C22H20O13 492.09039 380468-48-4 knapsack NA NA +FL3FECGS0038 6-Methoxyluteolin 7-glucuronide C22H20O13 492.09039 82657-12-3 knapsack NA NA +FL3FFCGS0016 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide C22H20O13 492.09039 135010-46-7 knapsack NA NA +FL3FFCGS0019 8-Hydroxyluteolin 3'-methyl ether 8-glucuronide;8-Hydroxychrysoeriol 8-glucuronide;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranosiduronic acid C22H20O13 492.09039 151363-21-2 knapsack NA NA +FL5FACGS0009 Quercetin 3-(6''-methylglucuronide) C22H20O13 492.09039 79543-28-5 knapsack NA NA +FL5FADGS0005 Isorhamnetin 3-glucuronide C22H20O13 492.09039 36687-76-0 knapsack NA NA +FL5FBCGS0002 Azaleatin 3-glucuronide C22H20O13 492.09039 - knapsack NA NA +FL5FDCGS0005 Quercetin 3-methyl ether 7-glucuronide C22H20O13 492.09039 98751-52-1 knapsack NA NA +FL5FEAGS0007 6-Methoxykaempferol 3-glucuronide C22H20O13 492.09039 118637-02-8 knapsack NA NA +C11254 Carmine C22H20O13 492.0904 NA KEGG NA NA +MJ072953 14,20-Tricosadiene-3,5,10,12,22-pentayne-1,2-diol, Di-O-sulfate C23H24O8S2 492.091259 NA MeJP NA NA +MJ072954 Gilmaniellin; Dechloro C26H20O10 492.105646 NA MeJP NA NA +MJ072955 Moellendorffiline C26H20O10 492.105646 NA MeJP NA NA +MJ072956 Salvianolic acid B; 3-Deacyl, 2,3-didehydro C26H20O10 492.105646 NA MeJP NA NA +MJ072957 3-Chloro-8,9-dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(2-Acetoxymethyl-2E-butenoyl), 9-Ac C24H25ClO9 492.11871 NA MeJP NA NA +MJ072958 1,1',8,8'-Tetrahydroxy-3,3'-dimethyl-4,7'-bianthracene-9,9',10(10'H)-trione C30H20O7 492.120902 NA MeJP NA NA +FL1C3CGS0003 Okanin 4'-(6''-acetylglucoside) C23H24O12 492.12677 120163-15-7 knapsack NA NA +FL2FACGS0015 Coccinoside A;5,7,3',4'-Tetrahydroxyflavanone 7-(6-acetylglucoside) C23H24O12 492.12677 146555-76-2 knapsack NA NA +FL3FAICS0001 Isopyrenin;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one C23H24O12 492.12677 61252-85-5 knapsack NA NA +FL3FAIGS0002 Tricin 7-glucoside C23H24O12 492.12677 32769-01-0 knapsack NA NA +FL3FAIGS0003 Tricin 5-glucoside C23H24O12 492.12677 32769-00-9 knapsack NA NA +FL3FAIGS0007 Tricin 4'-glucoside C23H24O12 492.12677 71855-50-0 knapsack NA NA +FL3FE8GS0003 5,2',6'-Trihydroxy-6,7-dimethoxyflavone 2'-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-6-hydroxyphenyl]-5-hydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one C23H24O12 492.12677 168293-27-4 knapsack NA NA +FL3FECGS0028 6-Hydroxyluteolin 6,7-dimethyl ether 4'-glucoside C23H24O12 492.12677 41087-98-3 knapsack NA NA +FL3FECGS0029 6-Hydroxyluteolin 6,3'-dimethyl ether 7-glucoside C23H24O12 492.12677 25474-11-7 knapsack NA NA +FL3FECGS0030 6-Hydroxyluteolin 6,4'-dimethyl ether 7-glucoside C23H24O12 492.12677 67557-77-1 knapsack NA NA +FL3FECGS0032 6-Hydroxyluteolin 7,3'-dimethyl ether 6-glucoside C23H24O12 492.12677 60032-93-1 knapsack NA NA +FL3FF8GS0004 5,2',3'-Trihydroxy-7,8-dimethoxyflavone 3'-glucoside C23H24O12 492.12677 113963-38-5 knapsack NA NA +FL3FFCGS0017 8-Hydroxyluteolin 8,3'-dimethyl ether 7-glucoside C23H24O12 492.12677 135043-85-5 knapsack NA NA +FL3FFCGS0024 Hypolaetin 7,3'-dimethyl eter 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-methoxyphenyl]-5,8-dihydroxy-7-methoxy-4H-1-benzopyran-4-one C23H24O12 492.12677 215113-46-5 knapsack NA NA +FL3FGAGS0001 Isothymusin 8-glucoside;8-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one C23H24O12 492.12677 205682-11-7 knapsack NA NA +FL5FA9GS0005 Lagotiside C23H24O12 492.12677 123914-42-1 knapsack NA NA +FL5FAFGS0001 Dillenetin 7-glucoside C23H24O12 492.12677 165460-83-3 knapsack NA NA +FL5FAIGS0002 Syringetin 3-rhamnoside C23H24O12 492.12677 93126-00-2 knapsack NA NA +FL5FAKGS0001 Myricetin 3',4'-dimethyl ether 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-1-benzopyran-4-one C23H24O12 492.12677 362603-38-1 knapsack NA NA +FL5FCDGA0001 Rhamnazin 3-galactoside C23H24O12 492.12677 59359-34-1 knapsack NA NA +FL5FCDGL0001 Rhamnazin 3-glucoside C23H24O12 492.12677 20486-38-8 knapsack NA NA +FL5FCDGS0001 Rhamnazin 4'-glucoside C23H24O12 492.12677 80651-75-8 knapsack NA NA +FL5FCEGA0001 Ombuin 3-galactoside C23H24O12 492.12677 69168-13-4 knapsack NA NA +FL5FCEGL0001 Ombuin 3-glucoside;Yixingensin;5,3'-Dihydroxy-7,4'-dimethoxyflavone 3-O-beta-D-glucopyranoside;3-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C23H24O12 492.12677 158642-42-3 knapsack NA NA +FL5FDCGS0010 Caryatin 7-glucoside;Quercetin 3,5-dimethyl ether 7-glucoside;2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dimethoxy-4H-1-benzopyran-4-one C23H24O12 492.12677 151590-52-2 knapsack NA NA +FL5FDCGS0011 Quercetin 3,7-dimethyl ether 5-glucoside C23H24O12 492.12677 128388-46-5 knapsack NA NA +FL5FDCGS0012 Quercetin 3,7-dimethyl ether 4'-glucoside C23H24O12 492.12677 102693-70-9 knapsack NA NA +FL5FDDGS0001 Quercetin 3,3'-dimethyl ether 7-glucoside C23H24O12 492.12677 2345-97-3 knapsack NA NA +FL5FDDGS0002 Quercetin 3,3'-dimethyl ether 4'-glucoside C23H24O12 492.12677 89648-74-8 knapsack NA NA +FL5FDEGS0001 Quercetin 3,4'-dimethyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one C23H24O12 492.12677 70324-45-7 knapsack NA NA +FL5FEAGA0003 Eupalitin 3-galactoside C23H24O12 492.12677 98604-37-6 knapsack NA NA +FL5FEAGA0004 Betuletol 3-galactoside C23H24O12 492.12677 128450-83-9 knapsack NA NA +FL5FEAGL0006 Eupalitin 3-glucoside C23H24O12 492.12677 83117-60-6 knapsack NA NA +FL5FEAGL0007 Betuletol 3-glucoside C23H24O12 492.12677 144599-04-2 knapsack NA NA +FL5FEAGS0012 6-Hydroxykaempferol 3,6-dimethyl ether 7-glucoside C23H24O12 492.12677 32214-79-2 knapsack NA NA +FL5FEAGS0015 Betuletol 7-glucoside C23H24O12 492.12677 158080-75-2 knapsack NA NA +FL5FECGS0021 Eupatolin C23H24O12 492.12677 29725-50-6 knapsack NA NA +FL5FFAGS0019 Prudomenin C23H24O12 492.12677 24568-40-9 knapsack NA NA +FL5FFCGS0016 Limocitrin 3-rhamnoside C23H24O12 492.12677 90456-56-7 knapsack NA NA +FLIAECGS0002 Iristectorigenin A 7-O-glucoside;Iristectorin A C23H24O12 492.12677 37744-61-9 knapsack NA NA +FLIAECGS0003 Iristectorigenin B 7-O-glucoside;Iristectorin B C23H24O12 492.12677 94396-09-5 knapsack NA NA +FLIAFCGS0001 Homotectorigenin 7-O-glucoside;Homotectoridin;5,7,4'-Trihydroxy-8,3'-dimethoxyisoflavone 7-O-glucoside C23H24O12 492.12677 41744-53-0 knapsack NA NA +MJ072959 1,2,3,4,5,7-Hexahydroxy-6-methylanthraquinone; 2,3-Di-Me ether, 7-O-?-L-rhamnopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072960 1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 2,8-Di-Me ether, 3-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072961 1,2,4,5-Tetrahydroxy-7-hydroxymethylanthraquinone; 2,5-Di-Me ether, 4-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072962 2',3',5,7,8-Pentahydroxyflavone; 7,8-Di-Me ether, 3'-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072963 2',3,3',4,4'-Pentahydroxychalcone, 4'-O-(6-O-Acetyl-?-D-glucopyranoside) C23H24O12 492.126776 NA MeJP NA NA +MJ072964 2',4',5',6,7-Pentahydroxyisoflavone; 4',6-Di-Me ether, 2'-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072965 2',5,6',7,8-Pentahydroxyflavone; 7,8-Di-Me ether, 2'-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072966 2',5,6,6',7-Pentahydroxyflavone; 6,7-Di-Me ether, 2'-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072967 3',4',5,5',7-Pentahydroxyisoflavone; 3',4'-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072968 3',4',5,6,7-Pentahydroxyflavone; 3',7-Di-Me ether, 6-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072969 3',4',5,6,7-Pentahydroxyflavone; 6,7-Di-Me ether, 4'-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072970 3',4',5,6,7-Pentahydroxyisoflavone; 3',6-Di-Me ether, glucoside C23H24O12 492.126776 NA MeJP NA NA +MJ072971 3',4',5,6,7-Pentahydroxyisoflavone; 4',6-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072972 3',4',5,7,8-Pentahydroxyflavone; 3',7-Di-Me ether, 8-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072973 3',4',5,7,8-Pentahydroxyflavone; 3',8-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072974 3',4',5,7,8-Pentahydroxyisoflavone; 3',8-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072975 3',4',5,7-Tetrahydroxyflavanone, 7-O-(6-O-Acetyl-?-D-glucopyranoside) C23H24O12 492.126776 NA MeJP NA NA +MJ072976 3',4',7-Trihydroxy-3,5-dimethoxyflavone; 3' or 4'-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072977 3',4',7-Trihydroxy-3,5-dimethoxyflavone; 7-O-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072978 3',5,7-Trihydroxy-4',6-dimethoxyflavone; 7-O-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072979 3,3',4',5,7-Pentahydroxyflavone; 3',5-Di-Me ether, 3-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072980 3,3',4',5,7-Pentahydroxyflavone; 3,7-Di-Me ether, 4'-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072981 3,3',4',5,7-Pentahydroxyflavone; 3,7-Di-Me ether, 5-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072982 3,3',4',5-Tetrahydroxy-6,7-dimethoxyflavone; 3-O-?-L-Rhamnopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072983 3,3',5,5',7-Pentahydroxyflavone; 3',5'-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072984 3,3',5-Trihydroxy-4',7-dimethoxyflavone; 3-O-?-D-Galactopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072985 3,3',5-Trihydroxy-4',7-dimethoxyflavone; 3-O-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072986 3,4',5,6,7-Pentahydroxyflavone; 3,6-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072987 3,4',5,6,7-Pentahydroxyflavone; 4',7-Di-Me ether, 3-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072988 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-?-L-Rhamnopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072989 3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 3-O-?-L-Rhamnopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072990 3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 7-O-?-L-Rhamnopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072991 3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-?-D-Galactopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072992 3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072993 3,4',5-Trihydroxy-3',7-dimethoxyflavone; 4'-O-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072994 3,4',5-Trihydroxy-6,7-dimethoxyflavone; 3-O-?-D-Galactopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072995 3,4',5-Trihydroxy-6,7-dimethoxyflavone; 3-O-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072996 3,5,7-Trihydroxy-3',4'-dimethoxyflavone; 3-O-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072997 3,5,7-Trihydroxy-3',4'-dimethoxyflavone; 7-O-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072998 3,5,7-Trihydroxy-4',6-dimethoxyflavone; 3-O-?-D-Galactopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ072999 3,5,7-Trihydroxy-4',6-dimethoxyflavone; 3-O-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ073000 3,5,7-Trihydroxy-4',6-dimethoxyflavone; 7-O-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ073001 3,5,7-Trihydroxy-4',8-dimethoxyflavone; 3-O-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ073002 3,5,7-Trihydroxy-4',8-dimethoxyflavone; 7-O-?-D-Glucopyranside C23H24O12 492.126776 NA MeJP NA NA +MJ073003 4',5,6,7,8-Pentahydroxyflavone; 6,7-Di-Me ether, 8-O-?-D-glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ073004 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 4'-O-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ073005 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 5-O-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ073006 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ073007 4',5,7-Trihydroxy-3',6-dimethoxyflavone; 7-O-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ073008 4',5,7-Trihydroxy-3,3'-dimethoxyflavone; 4'-O-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ073009 4',5,7-Trihydroxy-3,3'-dimethoxyflavone; 7-O-?-D-Glucopyranoside C23H24O12 492.126776 NA MeJP NA NA +MJ073010 Isoaffinetin; 3',5'-Di-Me ether C23H24O12 492.126776 NA MeJP NA NA +MJ073011 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3',5-Di-Me ether, 3-O-?-D-galactopyranoside C23H25O12(+) 492.126776 NA MeJP NA NA +MJ073012 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3',5-Di-Me ether, 3-O-?-D-glucopyranoside C23H25O12(+) 492.126776 NA MeJP NA NA +MJ073013 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-?-D-Galactopyranoside C23H25O12(+) 492.126776 NA MeJP NA NA +MJ073014 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-?-D-Glucopyranoside C23H25O12(+) 492.126776 NA MeJP NA NA +MetaCyc03705 cicerin-7-O-glucoside [] C23H24O12 492.126776 NA metacyc NA NA +C10303 Aurantio-obtusin beta-D-glucoside C23H24O12 492.1268 NA KEGG NA NA +MJ073015 Streptonigrin; 10'-O-De-Me C24H20N4O8 492.128113 NA MeJP NA NA +MJ073016 Streptonigrin; 6-O-De-Me C24H20N4O8 492.128113 NA MeJP NA NA +PJ002694 CCMH C17H28N6O5S3 492.1284 NA PeJP NA NA +MJ073017 Leptosin D C25H24N4O3S2 492.128982 NA MeJP NA NA +PJ002695 DDDE C17H24N4O13 492.134 NA PeJP NA NA +MJ073018 Uveoside C27H24O9 492.142032 NA MeJP NA NA +PJ002696 GPCCN C17H28N6O7S2 492.1461 NA PeJP NA NA +MJ073019 3',5'-Diglucosyl-2',4',6'-trihydroxyacetophenone C20H28O14 492.147905 NA MeJP NA NA +MJ073020 3,4-Dihydroxybenzoic acid; 3-Me ether, 4-O-?-D-glucopyranoside, ?-D-glucopyranosyl ester C20H28O14 492.147905 NA MeJP NA NA +MJ073021 4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, 1,6-Anhydro, tetra-Ac C20H28O14 492.147905 NA MeJP NA NA +MJ073022 Acefluranol C25H26F2O8 492.159574 NA MeJP NA NA +FL1C3CGS0020 Okanin 3,4,3'-trimethyl ether 4'-glucoside C24H28O11 492.16316 94285-18-4 knapsack NA NA +FL1CDDGS0001 4,2'-Dihydroxy-3,4',6'-trimethoxychalcone 4-glucoside C24H28O11 492.16316 112572-59-5 knapsack NA NA +MJ073023 1,5-Bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol, 1-Me ether, 2-O-?-D-glucopyranoside C24H28O11 492.163161 NA MeJP NA NA +MJ073024 2',3,3',4,4'-Pentahydroxychalcone, 3,3',4-Tri-Me ether, 4'-O-?-D-glucopyranoside C24H28O11 492.163161 NA MeJP NA NA +MJ073025 2',5,5',7-Tetrahydroxy-6,8-dimethylflavanone, 5'-Me ether, 7-O-?-D-glucopyranoside C24H28O11 492.163161 NA MeJP NA NA +MJ073026 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C24H28O11 492.163161 NA MeJP NA NA +MJ073027 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[4-Hydroxy-3-methoxycinnamoyl-(?4)-?-D-glucopyranoside] C24H28O11 492.163161 NA MeJP NA NA +MJ073028 2-(3,4-Dihydroxyphenyl)ethanol; 4'-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C24H28O11 492.163161 NA MeJP NA NA +MJ073029 3',4',5,7-Tetrahydroxyflavanone, 3',5,7-Tri-Me ether, 4'-O-?-D-glucopyranoside C24H28O11 492.163161 NA MeJP NA NA +MJ073030 4,18:15,16-Diepoxy-3,8,10,19-tetrahydroxy-6-oxo-13(16),14-clerodadien-20,12-olide, 3,19-Di-Ac C24H28O11 492.163161 NA MeJP NA NA +MJ073031 4,5-Epoxy-3,8,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 3-Ketone, 8-(4-acetoxy-3-methyl-2Z-butenoyl), 13-Ac C24H28O11 492.163161 NA MeJP NA NA +MJ073032 Antirrhinoside; 5-Deoxy, 2'-O-(4-hydroxy-E-cinnamoyl) C24H28O11 492.163161 NA MeJP NA NA +MJ073033 Antirrhinoside; 5-Deoxy, 2'-O-(4-hydroxy-Z-cinnamoyl) C24H28O11 492.163161 NA MeJP NA NA +MJ073034 Aucubigenin; 10-O-(4-Hydroxycinnamoyl), 1-O-?-D-glucopyranoside C24H28O11 492.163161 NA MeJP NA NA +MJ073035 Aucubigenin; 6-O-(4-Hydroxycinnamoyl), 1-O-?-D-glucopyranoside C24H28O11 492.163161 NA MeJP NA NA +MJ073036 Catalpol; 10-(Z)-Cinnamoyl C24H28O11 492.163161 NA MeJP NA NA +MJ073037 Catalpol; 10-O-E-Cinnamoyl C24H28O11 492.163161 NA MeJP NA NA +MJ073038 Kutkin C24H28O11 492.163161 NA MeJP NA NA +MJ073039 Macrophylloside C; 4'-Me ether C24H28O11 492.163161 NA MeJP NA NA +PJ002697 NNDM C17H28N6O9S 492.1639 NA PeJP NA NA +PJ002698 SEEE C18H28N4O12 492.1704 NA PeJP NA NA +PJ002699 PDMM C19H32N4O7S2 492.1713 NA PeJP NA NA +MJ073040 Bletilol B; 5'-Methoxy C28H28O8 492.178417 NA MeJP NA NA +MJ073041 Caleahymenone B C28H28O8 492.178417 NA MeJP NA NA +MJ073042 Latisxanthone A; ?3'-Isomer, 2'?-hydroperoxy C28H28O8 492.178417 NA MeJP NA NA +MJ073043 Rocaglatic acid; Me ester C28H28O8 492.178417 NA MeJP NA NA +PJ002700 GCQW C21H28N6O6S 492.1791 NA PeJP NA NA +PJ002701 GSSNE C17H28N6O11 492.1816 NA PeJP NA NA +MJ073044 1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C21H32O13 492.184291 NA MeJP NA NA +MJ073045 6-Deoxyaucubigenin; 1,10-Di-O-?-D-glucopyranoside C21H32O13 492.184291 NA MeJP NA NA +MJ073046 Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-?-L-rhamnopyranoside C21H32O13 492.184291 NA MeJP NA NA +MJ073047 Decaloside; 11-O-Quinovoside C21H32O13 492.184291 NA MeJP NA NA +PJ002702 PDDF C22H28N4O9 492.1857 NA PeJP NA NA +PJ002703 VDEM C19H32N4O9S 492.189 NA PeJP NA NA +MJ073048 Cilnidipine C27H28N2O7 492.189651 NA MeJP NA NA +PJ002704 PCHH C20H28N8O5S 492.1904 NA PeJP NA NA +PJ002705 SSNW C21H28N6O8 492.1969 NA PeJP NA NA +C17507 Palmatoside G C25H32O10 492.1995 NA KEGG NA NA +MJ073049 15,16-Epoxy-19-hydroxy-18-nor-4-oxo-2,13(16),14-clerodatrien-17,12-olide, O-?-D-Glucopyranoside C25H32O10 492.199547 NA MeJP NA NA +MJ073050 15,16-Epoxy-4-hydroxy-18-nor-1-oxo-2,13(16),14-clerodatrien-17,12-olide, 4-O-?-D-Glucopyranoside C25H32O10 492.199547 NA MeJP NA NA +MJ073051 2,3-Dihydro-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-propanol, 3'-Me ether, 9-O-?-rhamnopyranoside C25H32O10 492.199547 NA MeJP NA NA +MJ073052 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3'-Me ether, 4'-O-?-L-rhamnopyranoside C25H32O10 492.199547 NA MeJP NA NA +MJ073053 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3'-Me ether, 9'-O-?-L-rhamnopyranoside C25H32O10 492.199547 NA MeJP NA NA +MJ073054 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3'-Me ether, 9-O-?-L-rhamnopyranoside C25H32O10 492.199547 NA MeJP NA NA +MJ073055 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 9'-O-?-D-xylopyranoside C25H32O10 492.199547 NA MeJP NA NA +MJ073056 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3'-Me ether, 4'-O-?-L-rhamnopyranoside C25H32O10 492.199547 NA MeJP NA NA +MJ073057 3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether, 9'-O-?-D-xylopyranoside C25H32O10 492.199547 NA MeJP NA NA +MJ073058 3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether, 9'-O-?-L-arabinofuranoside C25H32O10 492.199547 NA MeJP NA NA +MJ073059 5,8,9-Trihydroxy-1(10),4(15),11(13)-germacratrien-12,6-olid-14-oic acid, 9-(2-Hydroxymethyl-2E-butenoyl), 8-(2-methylpropanoyl), Me ester C25H32O10 492.199547 NA MeJP NA NA +MJ073060 5,8,9-Trihydroxy-1(10),4(15),11(13)-germacratrien-12,6-olid-14-oic acid, 9-(2R,3R-Epoxy-2-methylbutanoyl), 8-(2-methylpropanoyl), Me ester C25H32O10 492.199547 NA MeJP NA NA +MJ073061 8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-[4-Hydroxy-2-(4-hydroxy-2-hydroxymethyl-2E-butenoyloxymethyl)-2E-butenoyl] C25H32O10 492.199547 NA MeJP NA NA +MJ073062 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-O-(2-Hydroxy-2-methyl-3-oxobutanoyl), 9-O-(2-methylpropanoyl), Me ester (1) C25H32O10 492.199547 NA MeJP NA NA +MJ073063 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-O-(2-Hydroxy-2-methyl-3-oxobutanoyl), 9-O-(2-methylpropanoyl), Me ester (2) C25H32O10 492.199547 NA MeJP NA NA +MJ073064 Glaucarubol; 13,18-Didehydro, 2-ketone, 15-(2-hydroxy-2-methylbutanoyl) C25H32O10 492.199547 NA MeJP NA NA +MJ073065 Hirsutoside C25H32O10 492.199547 NA MeJP NA NA +MJ073066 Undulatone; O-De-Ac C25H32O10 492.199547 NA MeJP NA NA +PJ002706 SQQM C18H32N6O8S 492.2002 NA PeJP NA NA +PJ002707 GGTQM C18H32N6O8S 492.2003 NA PeJP NA NA +MJ073067 Benthocyanin A C31H28N2O4 492.204907 NA MeJP NA NA +MJ073068 Adjuvant peptide C19H32N4O11 492.206757 NA MeJP NA NA +MetaCyc03706 acetylmuramyl-alanyl-isoglutamine [acetylmuramyl-alanyl-iso-glutamine;] C19H32N4O11 492.206758 53678-77-6 metacyc NA NA +PJ002708 AEHH C20H28N8O7 492.2081 NA PeJP NA NA +8089 peptide derived from tuna cooking juice VDYP 492.2099 ACE inhibitor Inhouse_peptide NA peptide +MJ073069 Antimycin A; Antimycin A5 C24H32N2O9 492.21078 NA MeJP NA NA +PJ002709 SCQR C17H32N8O7S 492.2115 NA PeJP NA NA +MJ073070 1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 6-Ketone, 1,9-dibenzoyl C29H32O7 492.214803 NA MeJP NA NA +MJ073071 2,13,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 13-Ketone, 2-benzoyl, 14-Ac C29H32O7 492.214803 NA MeJP NA NA +MJ073072 Uvafzelin C29H32O7 492.214803 NA MeJP NA NA +PJ002710 GCKW C22H32N6O5S 492.2155 NA PeJP NA NA +MJ073073 Betamethasone; 21-(3-Carboxypropanoyl) C26H33FO8 492.215946 NA MeJP NA NA +MJ073074 Dexamethasone; 21-(3-Carboxypropanoyl) C26H33FO8 492.215946 NA MeJP NA NA +MJ073075 Loperamide; N4-Oxide C29H33ClN2O3 492.21797 NA MeJP NA NA +PJ002711 GSSDK C18H32N6O10 492.218 NA PeJP NA NA +PJ002712 PVDY C23H32N4O8 492.222 NA PeJP NA NA +MJ073076 N-Acetyltyrosylvalyl-N-(2-carboxy-1-formylethyl)alaninamide C23H32N4O8 492.222014 NA MeJP NA NA +PJ002713 TLEM C20H36N4O8S 492.2254 NA PeJP NA NA +MJ073077 2-[[4-[2-[[[(2,4-Difluorophenyl)amino]carbonyl]heptylamino]ethyl]phenyl]thio]-2-methylpropanoic acid C26H34F2N2O3S 492.22582 NA MeJP NA NA +MJ073078 Methyl 4-[[17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-6-methoxy-6,14-ethenomorphinan-7-yl]amino]-4-oxo-2-butenoate C28H32N2O6 492.226036 NA MeJP NA NA +PJ002714 GSSSR C17H32N8O9 492.2292 NA PeJP NA NA +MJ073079 N-[[1-[[2-(Acetylthio)-3-methyl-1-oxobutyl]amino]cyclopentyl]carbonyl]-O-methyltyrosine, Et ester C25H36N2O6S 492.229407 NA MeJP NA NA +PJ002715 AQQF C22H32N6O7 492.2333 NA PeJP NA NA +C09070 Caryoptin C26H36O9 492.2359 NA KEGG NA NA +MJ073080 1,2,3,5,14-Vouacapanepentol, 1,2,3-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073081 1,2,3,6,11-Pentahydroxy-16-kauren-15-one, 2,3,11-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073082 1,5,6,7,14-Vouacapanepentol, 1,6,7-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073083 1,6,7,12-Tetrahydroxy-4(18),13-clerodadien-15,16-olide, 1,6,12-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073084 1,7,11,13,14-Pentahydroxy-16-kauren-15-one, 1,7,11-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073085 11,12-Dihydroxyhavanensin-28-oic acid C26H36O9 492.235932 NA MeJP NA NA +MJ073086 13,17-Epoxy-4(20),11-taxadiene-2,5,9,10,13-pentol, 2,9,10-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073087 15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-18,19-olide, 2-O-?-D-Glucopyranoside C26H36O9 492.235932 NA MeJP NA NA +MJ073088 16-Kaurene-1,3,6,7,11,15-hexol, 15-Ketone, 1,3,7-tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073089 16-Kaurene-1,3,6,7,11,15-hexol, 15-Ketone, 1,7,11-tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073090 16-Kaurene-1,3,6,7,11,15-hexol, 15-Ketone, 3,6,7-tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073091 16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 2,3,7-tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073092 16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 2,6,11-tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073093 16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 2,6,7-tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073094 16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 3,6,7-tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073095 16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 3,7,11-tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073096 16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 2,3,6-tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073097 17,18-Epoxy-1(19),6,10(17),13-xenicatetraene-5,8,11,12,18-pentol; 11,12,18-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073098 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 2,5,13-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073099 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 2,7,13-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073100 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 7,10,13-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073101 2(3?20)-Abeo-2,5,7,9,13-pentahydroxy-4(20),11-taxadien-10-one, 2,7,13-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073102 2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-3,6,19-triol, 19-(2-Methylpropanoyl), 6-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073103 2,5,10,13,20-Pentahydroxy-3,8-seco-3,7,11-taxatrien-9-one, 2,10,13-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073104 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 11?,12?-Epoxide, 2,9,10-tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073105 2,8,9,11,12-Pentahydroxy-5,13-briaradien-18,7-olide; 12-Ketone, 2-butanoyl, 9-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073106 2,8,9,11,12-Pentahydroxy-5,13-briaradien-18,7-olide; 12-Ketone, 9-butanoyl, 2-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073107 2,8,9,14-Tetrahydroxy-5,11(20)-briaradien-18,7-olide, 2,9,14-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073108 2,8,9,14-Tetrahydroxy-5,11-briaradien-18,7-olide, 2,9,14-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073109 3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,3',4,4',5,5'-Hexa-Me ether, 9-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073110 4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 13-Ketone, 2,9,10-tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073111 4,18:11,16:15,16-Triepoxy-14-clerodene-2,6,19-triol, Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073112 4,18:11,16:15,16-Triepoxy-14-clerodene-3,6,19-triol, Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073113 4,18:15,16-Diepoxy-13(16),14-clerodadiene-3,6,7,19-tetrol, 3,7,19-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073114 4,18:15,16-Diepoxy-13(16),14-clerodadiene-6,12,19,20-tetrol, 12,19,20-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073115 6,7:17,18-Diepoxy-1(19),10(17),13-xenicatriene-8,11,12,18-tetrol; 11,12,18-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073116 7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 1,11,15-Tri-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073117 8,17-Epoxy-2,9,11,14-tetrahydroxy-5,12-briaradien-18,7-olide; 2-Butanoyl, 14-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073118 8,17-Epoxy-2,9,14-trihydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-butanoyl, 14-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073119 8,9-Epoxy-2,4,6,10-daucanetetrol, 6-(3,4-Dimethoxybenzoyl), 2-Ac C26H36O9 492.235932 NA MeJP NA NA +MJ073120 9,11-Epoxy-15-oxo-16-atisen-19-oic acid, ?-D-Glucopyranosyl ester C26H36O9 492.235932 NA MeJP NA NA +MJ073121 Alcyonolide 3; 15-Acetoxy C26H36O9 492.235932 NA MeJP NA NA +MJ073122 Caudicifolin; 17-O-?-D-Glucopyranoside C26H36O9 492.235932 NA MeJP NA NA +MJ073123 Chromodorolide B C26H36O9 492.235932 NA MeJP NA NA +CJneg0629 Hydroxyretinoic Glucuronide (and isomers) [(M-H)]- C26H35O9 492.236525 C18rt(min)=8.95 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0629 Hydroxyretinoic Glucuronide (and isomers) [(M-H)]- C26H35O9 492.236525 C18rt(min)=8.95 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +PJ002716 SQKM C19H36N6O7S 492.2366 NA PeJP NA NA +PJ002717 PVMF C24H36N4O5S 492.2407 NA PeJP NA NA +PJ002718 VLMM C21H40N4O5S2 492.244 NA PeJP NA NA +PJ002719 GNFR C21H32N8O6 492.2445 NA PeJP NA NA +PJ002720 SCKR C18H36N8O6S 492.2479 NA PeJP NA NA +FL1DACNP0001 2',4',6',3-Tetrahydroxy-3'-geranyl-6'',6''-dimethylpyrano[2'',3'':4,5]dihydrochalcone C30H36O6 492.25118 205109-18-8 knapsack NA NA +FL2FACNI0005 Amorisin C30H36O6 492.25118 83474-70-8 knapsack NA NA +FL2FACNI0015 6-Farnesyl-3',4',5,7-tetrahydroxyflavanone C30H36O6 492.25118 156499-53-5 knapsack NA NA +FL2FALNI0004 Kushenol B C30H36O6 492.25118 99217-64-8 knapsack NA NA +FL2FALNI0010 Lespedezaflavanone E C30H36O6 492.25118 133538-69-9 knapsack NA NA +FL2FALNI0035 Macrourone C;5,7,2',4'-Tetrahydroxy-8-prenyl-6-geranylflavanone C30H36O6 492.25118 344423-27-4 knapsack NA NA +FL4DAANI0009 Sanggenol C;3,5,7,4'-Tetrahydroxy-8-prenyl-3'-geranylflavanone C30H36O6 492.25118 174423-32-6 knapsack NA NA +FLIBALNI0011 Sophoraisoflavanone D C30H36O6 492.25118 133740-39-3 knapsack NA NA +MJ073124 2',4',5,7-Tetrahydroxy-3',6,8-triprenylflavanone C30H36O6 492.251188 NA MeJP NA NA +MJ073125 3',4',5,7-Tetrahydroxy-5',6,8-triprenylflavanone C30H36O6 492.251188 NA MeJP NA NA +MJ073126 5,5'-Dimethoxyalloagerasanin C30H36O6 492.251188 NA MeJP NA NA +MJ073127 6-(3,7-Dimethyl-2,6-octadienyl)-2',4',5,7-tetrahydroxy-8-prenylflavanone C30H36O6 492.251188 NA MeJP NA NA +MJ073128 6-Farnesyl-3',4',5,7-tetrahydroxyflavanone C30H36O6 492.251188 NA MeJP NA NA +MJ073129 Kushenol B C30H36O6 492.251188 NA MeJP NA NA +MJ073130 Netzahualcoyondiol; 22-Ketone C30H36O6 492.251188 NA MeJP NA NA +MJ073131 Nymphaeol C C30H36O6 492.251188 NA MeJP NA NA +MJ073132 Sanggenol C C30H36O6 492.251188 NA MeJP NA NA +MJ073133 Sophoraisoflavanone C, 6'-Hydroxy C30H36O6 492.251188 NA MeJP NA NA +MJ073134 ?-Diplicatin B C30H36O6 492.251188 NA MeJP NA NA +C09237 Roxburghine B C31H32N4O2 492.2525 NA KEGG NA NA +MJ073135 Bezitramide C31H32N4O2 492.252526 NA MeJP NA NA +MJ073136 Isocinchophyllamine; 4',5',6',17-Tetradehydro C31H32N4O2 492.252526 NA MeJP NA NA +MJ073137 Roxburghines C31H32N4O2 492.252526 NA MeJP NA NA +PJ002721 GSTTK C19H36N6O9 492.2544 NA PeJP NA NA +PJ002722 PTLY C24H36N4O7 492.2584 NA PeJP NA NA +PJ002723 AQKF C23H36N6O6 492.2697 NA PeJP NA NA +MJ073138 1,2,3,4,5-Pentahydroxyspirost-25(27)-en-6-one C27H40O8 492.272318 NA MeJP NA NA +MJ073139 2,12,14-Trihydroxy-9-oxo-5,7-briaradien-18-oic acid; 2-Butanoyl, 14-Ac Me ester C27H40O8 492.272318 NA MeJP NA NA +MJ073140 2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 14,15-Dihydro, 19-(2-methylbutanoyl), 6-Ac C27H40O8 492.272318 NA MeJP NA NA +MJ073141 2,19:4,18:15,16-Triepoxy-6,16,19-clerodanetriol, 19-Tigloyl, 6-Ac C27H40O8 492.272318 NA MeJP NA NA +MJ073142 21-Hydroxypregn-4-ene-3,20-dione; ?-D-Glucopyranoside C27H40O8 492.272318 NA MeJP NA NA +MJ073143 3,12-Cyathadiene-11,14,15-triol, 15-Aldehyde, 11-Ac, 14-O-?-D-xylopyranoside C27H40O8 492.272318 NA MeJP NA NA +MJ073144 4,18-Epoxy-6,12,19-trihydroxy-13-cleroden-15,16-olide, 12-(2S-Methylbutanoyl), 19-Ac C27H40O8 492.272318 NA MeJP NA NA +MJ073145 4,18-Epoxy-6,12,19-trihydroxy-13-cleroden-15,16-olide, 12-(2S-Methylbutanoyl), 6-Ac C27H40O8 492.272318 NA MeJP NA NA +MJ073146 4,18:11,16:15,16-Triepoxy-1,6,19-clerodanetriol, 19-Tigloyl, 6-Ac C27H40O8 492.272318 NA MeJP NA NA +MJ073147 5,9-Epoxy-2,12,14-trihydroxy-6,8-briaradien-18-oic acid; 2-Butanoyl, 14-Ac, Me ester C27H40O8 492.272318 NA MeJP NA NA +MJ073148 6,7-Dihydroxy-15,17-isocopalanolid-16-oic acid, 6-Butanoyl, 7-Ac, Me ester C27H40O8 492.272318 NA MeJP NA NA +MJ073149 6,7-Dihydroxy-15,17-isocopalanolid-16-oic acid, 7-Butanoyl, 6-Ac, Me ester C27H40O8 492.272318 NA MeJP NA NA +MJ073150 Plagiochiline I; 13-Octanoyloxy, Ac C27H40O8 492.272318 NA MeJP NA NA +MJ073151 Soraphen A; 10,11-Di-O-de-Me C27H40O8 492.272318 NA MeJP NA NA +MJ073152 Soraphen A; Derivative C27H40O8 492.272318 NA MeJP NA NA +MJ073153 Sordaricin; O-(6-Deoxy-4-O-methyl-?-D-altropyranoside) C27H40O8 492.272318 NA MeJP NA NA +PJ002724 SKKM C20H40N6O6S 492.273 NA PeJP NA NA +MJ073154 Aphelandrine C28H36N4O4 492.273655 NA MeJP NA NA +MJ073155 Chaenorpine C28H36N4O4 492.273655 NA MeJP NA NA +MJ073156 Mucronine A; N-De-Me C28H36N4O4 492.273655 NA MeJP NA NA +C10010 Mucronine B C28H36N4O4 492.2737 NA KEGG NA NA +MJ073157 Pseudothiobinupharidine C30H40N2O2S 492.281049 NA MeJP NA NA +MJ073158 Glidobactin F C25H40N4O6 492.294785 NA MeJP NA NA +PJ002725 VVLY C25H40N4O6 492.2948 NA PeJP NA NA +MJ073159 Flotrenizine C31H38F2N2O 492.29522 NA MeJP NA NA +MJ073160 6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-(12-Methyltetradecanoyl) C30H40N2O4 492.298807 NA MeJP NA NA +MJ073161 Lophocine C30H40N2O4 492.298807 NA MeJP NA NA +PJ002726 AKKF C24H40N6O5 492.306 NA PeJP NA NA +MJ073162 1(10),4-Germacradien-6-ol, O-(2-O-Angeloyl-4-O-acetyl-?-D-fucopyranoside) C28H44O7 492.308703 NA MeJP NA NA +MJ073163 1(10),4-Germacradien-6-ol, O-(3-O-Angeloyl-2-O-acetyl-?-D-fucopyranoside) C28H44O7 492.308703 NA MeJP NA NA +MJ073164 1(10),4-Germacradien-6-ol, O-[3-O-(3-Methyl-2-butenoyl)-2-O-acetyl-?-D-fucopyranoside] C28H44O7 492.308703 NA MeJP NA NA +MJ073165 10-Aromadendranol, O-(2-O-Acetyl-3-O-angeloyl-?-D-fucopyranoside) C28H44O7 492.308703 NA MeJP NA NA +MJ073166 10-Aromadendranol, O-(2-O-Acetyl-4-O-angeloyl-?-D-fucopyranoside) C28H44O7 492.308703 NA MeJP NA NA +MJ073167 10-Aromadendranol, O-[3-Methyl-2-butenoyl-(?3)-2-O-acetyl-?-D-fucopyranoside] C28H44O7 492.308703 NA MeJP NA NA +MJ073168 2,3,14,20,22,25-Hexahydroxyergost-7-en-6-one, 24,28-Didehydro C28H44O7 492.308703 NA MeJP NA NA +MJ073169 2,9:3,16-Diepoxy-7(19)-asbestinene-4,6,11-triol, 4-Hexanoyl, 11-Ac C28H44O7 492.308703 NA MeJP NA NA +MJ073170 22,23-Epoxy-2,3,11,14,20-pentahydroxyergost-7-en-6-one C28H44O7 492.308703 NA MeJP NA NA +MJ073171 3,14,17,20,24,25-Hexahydroxyergosta-7,22-dien-6-one C28H44O7 492.308703 NA MeJP NA NA +MJ073172 6,13-Epoxy-3,4,11-trihydroxy-8-eunicellen-16,12-olide, 11-Octanoyl C28H44O7 492.308703 NA MeJP NA NA +MJ073173 6,13-Epoxy-4,9,11-trihydroxy-8(19)-eunicellen-16,12-olide, 11-Octanoyl C28H44O7 492.308703 NA MeJP NA NA +MJ073174 Lemnabourside B C28H44O7 492.308703 NA MeJP NA NA +MJ073175 Pregn-20-ene-3,4-diol, 4-O-(3-O-Acetyl-?-D-arabinopyranoside) C28H44O7 492.308703 NA MeJP NA NA +MJ073176 Pregn-20-ene-3,4-diol, 4-O-(4-O-Acetyl-?-D-arabinopyranoside) C28H44O7 492.308703 NA MeJP NA NA +MJ073177 Pregn-20-ene-3,4-diol, 4-O-(4-O-Acetyl-?-D-xylopyranoside) C28H44O7 492.308703 NA MeJP NA NA +MJ073178 Pregn-5-ene-3,11,12,14,20-pentol, 12-O-(3-Methylbutanoyl), 11-Ac C28H44O7 492.308703 NA MeJP NA NA +MJ073179 Pregnane-3,12,14,17,20-pentol, 12-Tigloyl, 20-Ac C28H44O7 492.308703 NA MeJP NA NA +MJ073180 Pregnane-3,12,14,17,20-pentol, 20-Tigloyl, 12-Ac C28H44O7 492.308703 NA MeJP NA NA +MJ073181 Protoverbine; N9-(4-Methoxy-E-cinnamoyl) C29H40N4O3 492.310041 NA MeJP NA NA +MJ073182 Protoverbine; N9-(4-Methoxy-Z-cinnamoyl) C29H40N4O3 492.310041 NA MeJP NA NA +MJ073183 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone C32H44O4 492.323959 NA MeJP NA NA +MJ073184 23-Methylergosta-5,22-dien-3-ol, O-Sulfate C29H48O4S 492.32733 NA MeJP NA NA +MJ073185 23-Methylergosta-5,25-dien-3-ol, O-Sulfate C29H48O4S 492.32733 NA MeJP NA NA +MJ073186 Glycerol 1-alkanoates; Glycerol 1-hexadecanoate, 3-O-?-D-Galactopyranoside C25H48O9 492.329833 NA MeJP NA NA +MJ073187 Coryphidine C31H44N2O3 492.335193 NA MeJP NA NA +MJ073188 Bourjotinolone B; 25,26-Dihydro, 25-chloro C30H49ClO3 492.337023 NA MeJP NA NA +MJ073189 Homodolicholide C29H48O6 492.345089 NA MeJP NA NA +MJ073190 Goebeline C30H44N4O2 492.346426 NA MeJP NA NA +MJ073191 17,29-Tritriacontadiene-2,4,6,32-tetrayne-1,8,31-triol C33H48O3 492.360345 NA MeJP NA NA +MJ073192 18,29-Tritriacontadiene-2,4,20,32-tetrayne-1,6,31-triol C33H48O3 492.360345 NA MeJP NA NA +MJ073193 20,24-Epoxy-4,25-dihydroxy-3,4-secodammaran-3-oic acid C30H52O5 492.381474 NA MeJP NA NA +MJ073194 20,24-Epoxydammarane-1,3,12,25-tetrol C30H52O5 492.381474 NA MeJP NA NA +MJ073195 20,24-Epoxydammarane-3,12,17,25-tetrol C30H52O5 492.381474 NA MeJP NA NA +MJ073196 20,24-Epoxydammarane-3,12,23,25-tetrol C30H52O5 492.381474 NA MeJP NA NA +MJ073197 20,24-Epoxydammarane-3,12-25,30-tetrol C30H52O5 492.381474 NA MeJP NA NA +MJ073198 21,28-Epoxy-3,18,23,29-baccharanetetrol C30H52O5 492.381474 NA MeJP NA NA +MJ073199 21-Baccharene-3,18,23,28,29-pentol C30H52O5 492.381474 NA MeJP NA NA +MJ073200 3,14,20,21,24-Serratanepentol C30H52O5 492.381474 NA MeJP NA NA +MJ073201 3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3'-Me ether, 1-O-eicosanoyl C30H52O5 492.381474 NA MeJP NA NA +MJ073202 Cucurbit-5-ene-3,22,23,24,25-pentol C30H52O5 492.381474 NA MeJP NA NA +MJ073203 Cycloartane-3,16,24,25,29-pentol C30H52O5 492.381474 NA MeJP NA NA +MJ073204 Cycloartane-3,6,16,24,25-pentol C30H52O5 492.381474 NA MeJP NA NA +MJ073205 Dammar-23-ene-3,12,17,20,25-pentol C30H52O5 492.381474 NA MeJP NA NA +MJ073206 Dammar-25-ene-3,12,17,20,24-pentol C30H52O5 492.381474 NA MeJP NA NA +MJ073207 Ergostane-3,5,6,25-tetrol, 25-Ac C30H52O5 492.381474 NA MeJP NA NA +MJ073208 Ergostane-3,5,6,7-tetrol, 7-Ac C30H52O5 492.381474 NA MeJP NA NA +MJ073209 Ergostane-3,6,9,25-tetrol, 25-Ac C30H52O5 492.381474 NA MeJP NA NA +MJ073210 Gorgostane-1,3,5,6,11-pentol C30H52O5 492.381474 NA MeJP NA NA +MJ073211 Gorgostane-1,3,5,6,25-pentol C30H52O5 492.381474 NA MeJP NA NA +MJ073212 Lanost-8-ene-2,3,12,24,25-pentol C30H52O5 492.381474 NA MeJP NA NA +MJ073213 Sipholenol A; 15?,16?-Epoxide, 4-ketone C30H52O5 492.381474 NA MeJP NA NA +MJ073214 Sipholenol C; 16-hydroxy C30H52O5 492.381474 NA MeJP NA NA +MJ073215 Teurilene C30H52O5 492.381474 NA MeJP NA NA +MJ073216 Tirucall-7-ene-3,21,23,24,25-pentol C30H52O5 492.381474 NA MeJP NA NA +MJ073217 Araguspongine C; 3?-Methyl C29H52N2O4 492.392708 NA MeJP NA NA +MJ073218 30-Tetratriacontene-2,4,16,33-tetrayne-1,32-diol C34H52O2 492.39673 NA MeJP NA NA +MJ073219 Callyspongyne B C35H56O 492.433116 NA MeJP NA NA +MJ073220 Cyclostellettamine; Cyclostellettamine A C34H56N2 492.444349 NA MeJP NA NA +MJ073221 Corynomycolic acid, 7',8',11,12-Tetradehydro C32H60O3 492.454245 NA MeJP NA NA +MJ073222 Budmunchiamine L5 C30H60N4O 492.476712 NA MeJP NA NA +C08394 Tritriacontane-16,18-dione C33H64O2 492.4906 NA KEGG NA NA +MJ073223 10,12-Tritriacontanedione C33H64O2 492.490631 NA MeJP NA NA +MJ073224 12-Oxotritriacontanal C33H64O2 492.490631 NA MeJP NA NA +MJ073225 16,18-Tritriacontanedione C33H64O2 492.490631 NA MeJP NA NA +MJ073226 14-Methyl-15-tritriacontanone C34H68O 492.527016 NA MeJP NA NA +MJ073227 Pentatriacontane C35H72 492.563402 NA MeJP NA NA +MJ073228 10-Heptyl-10-octyleicosane C35H72 492.563402 NA MeJP NA NA +2613 synthetic peptide inhibitors of (PEP) VYPFPGPIP 492.756 MH2+ Inhouse_peptide NA peptide +3405 ACE inhibitor YANPAVVRP 492.76045 MH2+ Inhouse_peptide NA peptide +C08104 Cefmetazole sodium C15H16N7O5S3 493.0273 NA KEGG NA NA +MJ073229 Cefaparole C19H19N5O5S3 493.05483 NA MeJP NA NA +MJ073230 Kaitocephalin C18H21Cl2N3O9 493.065484 NA MeJP NA NA +C12017 MK826 C21H23N3O7S2 493.0977 NA KEGG NA NA +C17271 Glucohirsutin C16H31NO10S3 493.111 NA KEGG NA NA +MJ073231 8-(Methylthio)octyl glucosinolate; S-Oxide C16H31NO10S3 493.111008 NA MeJP NA NA +MJ073232 Antibiotic SS 228B C29H19NO7 493.116151 NA MeJP NA NA +PJ002727 GPCCD C17H27N5O8S2 493.1301 NA PeJP NA NA +C12140 Malvidin 3-O-glucoside C23H25O12 493.1346 NA KEGG NA NA +FL7AAIGA0001 Primulin;Malvidin 3-O-beta-D-galactopyranoside C23H25O12 493.1346 30113-37-2 knapsack NA NA +FL7AAIGL0001 Oenin;Malvidin 3-O-beta-D-glucopyranoside C23H25O12 493.1346 7228-78-6 knapsack NA NA +FL7AAIGS0005 Malvidin 5-glucoside C23H25O12 493.1346 35775-62-3 knapsack NA NA +FL7ABHGA0001 Europinidin 3-galactoside C23H25O12 493.1346 - knapsack NA NA +FL7ABHGL0001 Europinidin 3-glucoside C23H25O12 493.1346 - knapsack NA NA +C07022 Glyburide C23H28ClN3O5S 493.1438 NA KEGG NA NA +MJ073233 Glibenclamide C23H28ClN3O5S 493.143819 NA MeJP NA NA +PJ002728 NDDM C17H27N5O10S 493.1479 NA PeJP NA NA +PJ002729 GSCNN C16H27N7O9S 493.1591 NA PeJP NA NA +C13269 Aspoxicillin C21H27N5O7S 493.1631 NA KEGG NA NA +C13270 Transferred to D02417 C21H27N5O7S 493.1631 NA KEGG NA NA +C13271 Transferred to D01801 C21H27N5O7S 493.1631 NA KEGG NA NA +C13272 Transferred to D01802 C21H27N5O7S 493.1631 NA KEGG NA NA +C13273 Transferred to D01803 C21H27N5O7S 493.1631 NA KEGG NA NA +C13274 Transferred to D01804 C21H27N5O7S 493.1631 NA KEGG NA NA +C13275 Transferred to D01805 C21H27N5O7S 493.1631 NA KEGG NA NA +C13276 Transferred to D01806 C21H27N5O7S 493.1631 NA KEGG NA NA +C13277 Transferred to D01807 C21H27N5O7S 493.1631 NA KEGG NA NA +C13278 Transferred to D01808 C21H27N5O7S 493.1631 NA KEGG NA NA +C13279 Transferred to D01809 C21H27N5O7S 493.1631 NA KEGG NA NA +PJ002730 GCEW C21H27N5O7S 493.1631 NA PeJP NA NA +MJ073234 Aspoxicillin C21H27N5O7S 493.163118 NA MeJP NA NA +PJ002731 GSSDE C17H27N5O12 493.1656 NA PeJP NA NA +PJ002732 GSPCM C18H31N5O7S2 493.1665 NA PeJP NA NA +MJ073235 Rocaglatic acid; 3'-Hydroxy, amide C27H27NO8 493.173666 NA MeJP NA NA +MJ073236 Stephabenine; 16-Oxo C27H27NO8 493.173666 NA MeJP NA NA +PJ002733 CWW C25H27N5O4S 493.1784 NA PeJP NA NA +PJ002734 SSDW C21H27N5O9 493.1809 NA PeJP NA NA +PJ002735 SQEM C18H31N5O9S 493.1843 NA PeJP NA NA +PJ002736 SCER C17H31N7O8S 493.1955 NA PeJP NA NA +MJ073237 Pyronaamidine C25H27N5O6 493.196133 NA MeJP NA NA +MJ073238 Antibiotic I5B; Antibiotic I5B2 C23H32N3O7P 493.197786 NA MeJP NA NA +PJ002737 GTMW C22H31N5O6S 493.1995 NA PeJP NA NA +PJ002738 GSTTE C18H31N5O11 493.202 NA PeJP NA NA +PJ002739 VNMM C19H35N5O6S2 493.2029 NA PeJP NA NA +PJ002740 SNHH C19H27N9O7 493.2034 NA PeJP NA NA +PJ002741 GMMR C18H35N7O5S2 493.2141 NA PeJP NA NA +3287 NA RGDF 493.2169 celiac toxic Inhouse_peptide NA peptide +PJ002742 STTW C22H31N5O8 493.2173 NA PeJP NA NA +PJ002743 SKEM C19H35N5O8S 493.2207 NA PeJP NA NA +PJ002744 GDFR C21H31N7O7 493.2285 NA PeJP NA NA +MJ073239 Ryanodine C25H35NO9 493.231181 NA MeJP NA NA +C08705 Ryanodine C25H35NO9 493.2312 NA KEGG NA NA +PJ002745 STMR C18H35N7O7S 493.2319 NA PeJP NA NA +PJ002746 AAFW C26H31N5O5 493.2325 NA PeJP NA NA +MJ073240 ?-Lactorphin C26H31N5O5 493.232519 NA MeJP NA NA +PJ002747 PCKF C23H35N5O5S 493.2359 NA PeJP NA NA +PJ002748 SSSTL C19H35N5O10 493.2384 NA PeJP NA NA +PJ002749 CLKM C20H39N5O5S2 493.2393 NA PeJP NA NA +CJneg0630 Hydroxyretinoic Glucuronide (and isomers) [(M-H)]- (13C) C2513CH35O9 493.239825 C18rt(min)=8.95 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0630 Hydroxyretinoic Glucuronide (and isomers) [(M-H)]- (13C) C2513CH35O9 493.239825 C18rt(min)=8.95 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ073241 Kobusine; 6-Hydroxy, O15-(3,4-dimethoxybenzoyl) C29H35NO6 493.246437 NA MeJP NA NA +C12153 Epothilone A C26H39NO6S 493.2498 NA KEGG NA NA +MJ073242 Epothilone A C26H39NO6S 493.249808 NA MeJP NA NA +PJ002750 SPKY C23H35N5O7 493.2537 NA PeJP NA NA +MJ073243 Paraherquamide A C28H35N3O5 493.257671 NA MeJP NA NA +MJ073244 Imatinib C29H31N7O 493.259008 NA MeJP NA NA +7052 bovine hexapeptide derived from lactoferricin B (B RRWQWR 493.2595 MH2+ Inhouse_peptide NA peptide +PJ002751 GVRY C22H35N7O6 493.2649 NA PeJP NA NA +MJ073245 Bonvalol; O6-Ac C26H39NO8 493.267567 NA MeJP NA NA +MJ073246 Dictyocarpinine; 16-De-Me, 14-Me ether, 6-Ac C26H39NO8 493.267567 NA MeJP NA NA +MJ073247 Dictyocarpinine; 6-Ac C26H39NO8 493.267567 NA MeJP NA NA +MJ073248 Erythrophleum C24 Alkaloid; 3-Ac C26H39NO8 493.267567 NA MeJP NA NA +MJ073249 Erythrosuamine; 3?-Acetoxy, N-de-Me C26H39NO8 493.267567 NA MeJP NA NA +PJ002752 RRY C21H35N9O5 493.2761 NA PeJP NA NA +7696 ACE inhibitor from wakame AIYK 493.278 antioxidative Inhouse_peptide NA peptide +MJ073250 Antibiotic L 697318; 18?-Hydroxy C30H39NO5 493.282823 NA MeJP NA NA +MJ073251 Cytochalasin O; O21-Ac C30H39NO5 493.282823 NA MeJP NA NA +MJ073252 Epoxycytochalasin H C30H39NO5 493.282823 NA MeJP NA NA +MJ073253 Zoanthamine; 17-Alcohol, 13,14,17,18-tetradehydro C30H39NO5 493.282823 NA MeJP NA NA +MJ073254 Zygosporin D; 17-Deoxo, 21-Ac C30H39NO5 493.282823 NA MeJP NA NA +MJ073255 3,5,6-Trihydroxy-6-undecyl-2-piperidinecarboxylic acid; 6-O-?-D-Glucopyranoside C23H43NO10 493.288696 NA MeJP NA NA +C15701 Syringolin A C24H39N5O6 493.29 NA KEGG NA NA +MJ073256 Syringolin A C24H39N5O6 493.290034 NA MeJP NA NA +PJ002753 ALKY C24H39N5O6 493.2901 NA PeJP NA NA +PJ002754 PLKH C23H39N7O5 493.3013 NA PeJP NA NA +MJ073257 Chasmanine; 14-Ac C27H43NO7 493.303952 NA MeJP NA NA +MJ073258 Delcorine; O6-Me C27H43NO7 493.303952 NA MeJP NA NA +MJ073259 Dictyocarpinine; 6,10,14-Tri-Me ether C27H43NO7 493.303952 NA MeJP NA NA +MJ073260 Senbusine A; O1,O14-Di-Me, O6-Ac C27H43NO7 493.303952 NA MeJP NA NA +MJ073261 Senbusine C; 15-Epimer, 8,15-O-isopropylidene C27H43NO7 493.303952 NA MeJP NA NA +MJ073262 Zygadenine C27H43NO7 493.303952 NA MeJP NA NA +C10831 Zygadenine C27H43NO7 493.304 NA KEGG NA NA +MJ073263 Combimicin B2 C21H43N5O8 493.311163 NA MeJP NA NA +MJ073264 Gentamicin C; Gentamicin C2b, 2-Hydroxy, 6'-N-Me C21H43N5O8 493.311163 NA MeJP NA NA +MJ073265 Vinylamycin C26H43N3O6 493.315186 NA MeJP NA NA +HMDB10383 LysoPC(16:1(9Z)) C24H48NO7P 493.316833 NA HMDB2010 NA NA +EUR711 LysoPE (20:1) [M-H-CH3]- C25H50NO7P 493.316842 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR719 Lyso PC 16:1 monoisotopic mass C24H48NO7P 493.316842 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR866 Lyso PE 20:1 [M-H-CH3]- C25H50NO7P 493.316842 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR711 LysoPE (20:1) [M-H-CH3]- C25H50NO7P 493.316842 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR719 Lyso PC 16:1 monoisotopic mass C24H48NO7P 493.316842 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR866 Lyso PE 20:1 [M-H-CH3]- C25H50NO7P 493.316842 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR711 LysoPE (20:1) [M-H-CH3]- C25H50NO7P 493.316842 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR719 Lyso PC 16:1 monoisotopic mass C24H48NO7P 493.316842 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR866 Lyso PE 20:1 [M-H-CH3]- C25H50NO7P 493.316842 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR711 LysoPE (20:1) [M-H-CH3]- C25H50NO7P 493.316842 masses lipides attendues Inhousejuil11 NA NA +EUR719 Lyso PC 16:1 monoisotopic mass C24H48NO7P 493.316842 masses lipides attendues Inhousejuil11 NA NA +EUR866 Lyso PE 20:1 [M-H-CH3]- C25H50NO7P 493.316842 masses lipides attendues Inhousejuil11 NA NA +EUR569 LysoPC(16:1) NA 493.316875 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR569 LysoPC(16:1) [M+H]+ 493.316875 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR569 LysoPC(16:1) NA 493.316875 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR569 LysoPC(16:1) [M+H]+ 493.316875 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR569 LysoPC(16:1) NA 493.316875 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR569 LysoPC(16:1) [M+H]+ 493.316875 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR569 LysoPC(16:1) NA 493.316875 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR569 LysoPC(16:1) NA 493.316875 identifiés dans sérum NuGO HMDB NA NA +EUR569 LysoPC(16:1) NA 493.316875 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR569 LysoPC(16:1) [M+H]+ 493.316875 identifies dans serum NuGO Inhousejuil11 NA NA +EUR569 LysoPC(16:1) NA 493.316875 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR569 LysoPC(16:1) NA 493.316875 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +MJ073266 Indanomycin C31H43NO4 493.319208 NA MeJP NA NA +MJ073267 Sarcotragin A C31H43NO4 493.319208 NA MeJP NA NA +MJ073268 Tiamulin C28H47NO4S 493.322579 NA MeJP NA NA +C12065 Tiamulin C28H47NO4S 493.3226 NA KEGG NA NA +MJ073269 Holantogenin; 3-O-(4-Amino-2,4,6-trideoxy-3-O-methyl-?-D-ribo-hexopyranoside) C28H47NO6 493.340338 NA MeJP NA NA +MJ073270 Holantogenin; 3-O-(4-Amino-2,4,6-trideoxy-3-O-methyl-?-D-xylo-hexopyranoside) C28H47NO6 493.340338 NA MeJP NA NA +MJ073271 Holantogenin; 3-O-(4-Amino-2,4,6-trideoxy-3-O-methyl-?-L-arabino-hexopyranoside) C28H47NO6 493.340338 NA MeJP NA NA +MJ073272 Lycocaroline; Didehydro C32H51N3O 493.403213 NA MeJP NA NA +MJ073273 Impacarzine C28H55N5O2 493.435576 NA MeJP NA NA +C14368 Decachlorobiphenyl C12Cl10 493.6885 NA KEGG NA NA +MJ073274 1,4,7-Tribromo-3,6,8-trichloro-3,7-dimethyl-2-octanol C10H16Br3Cl3O 493.781686 NA MeJP NA NA +MJ073275 Amathamide E C15H17Br3N2O2 493.884015 NA MeJP NA NA +MJ073276 Iodoalphionic acid C15H12I2O3 493.887581 NA MeJP NA NA +MetaCyc03707 7,8-dihydroneopterin 3'-triphosphate [6-(L-erythro-1,2-Dihydroxypropyl 3-triphosphate)-7,8-dihydropterin;6-[(1S,2R)-1,2-dihydroxy-3-triphosphooxypropyl]-7,8-dihydropterin;6-(D-erythro-1',2',3'-trihydroxypropyl)-7,8-dihydropterin-3'-triphosphate;H2NTP;2-amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine triphosphate;dihydroneopterin triphosphate;] C9H15N5O13P3 493.98792 NA metacyc NA NA +MJ073277 Mannitol, 1,2,5,6-Tetramesyl C10H22O14S4 493.989238 NA MeJP NA NA +MJ073278 Flurantel C19H12F6N2O7 494.054869 NA MeJP NA NA +MJ073279 Thiazohalostatin C20H25Cl3N2O4S 494.060061 NA MeJP NA NA +FL3FFGGS0001 8-Hydroxytricetin 7-glucuronide C21H18O14 494.06965 119262-69-0 knapsack NA NA +FL5FAGGS0005 Myricetin 3-glucuronide C21H18O14 494.06965 77363-65-6 knapsack NA NA +FL5FFCGS0002 Gossypetin 3-glucuronide C21H18O14 494.06965 36190-94-0 knapsack NA NA +FL5FFCGS0006 Gossypetin 8-glucuronide C21H18O14 494.06965 55366-56-8 knapsack NA NA +MJ073280 3',4',5,5',7,8-Hexahydroxyflavone; 7-O-?-D-Glucuronoside C21H18O14 494.069655 NA MeJP NA NA +MJ073281 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-D-Glucuronopyranoside C21H18O14 494.069655 NA MeJP NA NA +MJ073282 3,3',4',5,7,8-Hexahydroxyflavone; 3-O-?-D-Glucuronoside C21H18O14 494.069655 NA MeJP NA NA +MJ073283 3,3',4',5,7,8-Hexahydroxyflavone; 8-O-?-D-Glucuronopyranoside C21H18O14 494.069655 NA MeJP NA NA +MJ073284 Gliovirin; N-Me C21H22N2O8S2 494.081757 NA MeJP NA NA +C06774 11-O-Demethyl-7-methoxypradinone II C25H18O11 494.0849 NA KEGG NA NA +MJ073285 Griseorhodin C; 7,8-Dideoxy C25H18O11 494.084911 NA MeJP NA NA +MJ073286 3',4',5,5',7-Pentahydroxy-3-methoxyflavone; 3'-O-?-D-Glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073287 3',4',5,6,7,8-Hexahydroxyflavone; 8-Me ether, 7-O-?-D-glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073288 3',4',5,6,7-Pentahydroxy-3-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073289 3,3',4',5',7-Pentahydroxy-5-methoxyflavone; 3-O-Galactoside C22H22O13 494.10604 NA MeJP NA NA +MJ073290 3,3',4',5,5',7,8-Heptahydroxyflavone; 8-Me ether, 3-O-?-L-rhamnopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073291 3,3',4',5,6,7,8-Heptahydroxyflavone; 6,8-Di-Me ether, 3-O-?-L-arabinopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073292 3,3',4',5,6,7-Hexahydroxyflavone; 7-Me ether, 3-O-?-D-glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073293 3,3',4',5,6,7-Hexahydroxyflavone; 7-Me ether, 3-O-galactoside C22H22O13 494.10604 NA MeJP NA NA +MJ073294 3,3',4',5,6,7-Hexahydroxyflavone; 7-Me ether, 4'-O-?-D-glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073295 3,3',4',5,6,7-Hexahydroxyflavone; 7-Me ether, 6-O-?-D-glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073296 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-D-Galactopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073297 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-D-Glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073298 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 5-O-?-D-Glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073299 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073300 3,3',4',5,7-Pentahydroxy-8-methoxyflavone; 3-O-?-D-Galactopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073301 3,3',4',5,7-Pentahydroxy-8-methoxyflavone; 3-O-?-D-Glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073302 3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 3-O-?-D-Glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073303 3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 3-O-D-Galactoside C22H22O13 494.10604 NA MeJP NA NA +MJ073304 3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 8-O-?-D-Galactopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073305 3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 8-O-?-D-Glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073306 3,3',5,5',7-Pentahydroxy-4'-methoxyflavone; 3-O-?-D-Galactopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073307 3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-?-D-Galactopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073308 3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-?-D-Glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073309 3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 5'-O-?-D-Glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073310 3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073311 3,4',5,6,7-Pentahydroxy-3'-methoxyflavone; 3-O-?-D-Galactopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073312 3,4',5,6,7-Pentahydroxy-3'-methoxyflavone; 3-O-?-D-Glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073313 3,4',5,6,7-Pentahydroxy-3'-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073314 3,4',5,7,8-Pentahydroxy-3'-methoxyflavone; 7-O-?-D-Glucopyranoside C22H22O13 494.10604 NA MeJP NA NA +MJ073315 6-Galloylglucose; ?-D-Pyranose-form, 1-(3,4-Dihydroxycinnamoyl)(E-) C22H22O13 494.10604 NA MeJP NA NA +FL3FGCGS0010 Pleurostimin 7-glucoside;5,6,7,3',4'-Pentahydroxy-8-methoxyflavone 7-glucoside C22H22O13 494.10604 - knapsack NA NA +FL5FAHGA0001 Laricitrin 3-galactoside C22H22O13 494.10604 71393-05-0 knapsack NA NA +FL5FAHGL0001 Laricitrin 3-glucoside C22H22O13 494.10604 39986-90-8 knapsack NA NA +FL5FAHGS0002 Laricitrin 7-glucoside C22H22O13 494.10604 89345-45-9 knapsack NA NA +FL5FAHGS0003 Laricitrin 5'-glucoside C22H22O13 494.10604 123442-26-2 knapsack NA NA +FL5FAJGA0002 Myricetin 4'-methyl ether 3-O-beta-D-galactopyranoside;2-(3,5-Dihydroxy-4-methoxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one C22H22O13 494.10604 230283-36-0 knapsack NA NA +FL5FBGGA0001 Myricetin 5-methyl ether 3-galactoside C22H22O13 494.10604 28454-89-9 knapsack NA NA +FL5FBGGL0001 Myricetin 5-methyl ether 3-glucoside C22H22O13 494.10604 56691-93-1 knapsack NA NA +FL5FBGGS0002 Myricetin 5-methyl ether 7-glucoside C22H22O13 494.10604 56691-92-0 knapsack NA NA +FL5FCGGA0001 Europetin 3-galactoside C22H22O13 494.10604 115381-61-8 knapsack NA NA +FL5FDGGS0003 Annulatin 3'-glucoside C22H22O13 494.10604 31105-82-5 knapsack NA NA +FL5FECGA0001 Patuletin 3-galactoside C22H22O13 494.10604 35399-34-9 knapsack NA NA +FL5FECGA0003 Quercetagetin 3'-methyl ether 3-galactoside C22H22O13 494.10604 128351-80-4 knapsack NA NA +FL5FECGL0003 Patuletin 3-glucoside C22H22O13 494.10604 19833-27-3 knapsack NA NA +FL5FECGL0008 Quercetagetin 7-methyl ether 3-glucoside C22H22O13 494.10604 65180-49-6 knapsack NA NA +FL5FECGL0009 Quercetagetin 3'-methyl ether 3-glucoside C22H22O13 494.10604 128351-79-1 knapsack NA NA +FL5FECGS0003 Quercetagetin 3-methyl ether 6-glucoside C22H22O13 494.10604 64190-89-2 knapsack NA NA +FL5FECGS0004 Quercetagetin 3-methyl ether 7-glucoside C22H22O13 494.10604 76060-29-2 knapsack NA NA +FL5FECGS0008 Patuletin 5-glucoside C22H22O13 494.10604 83086-28-6 knapsack NA NA +FL5FECGS0009 Patuletin 7-galactoside C22H22O13 494.10604 146396-37-4 knapsack NA NA +FL5FECGS0010 Patuletin 7-glucoside C22H22O13 494.10604 19833-25-1 knapsack NA NA +FL5FECGS0012 Quercetagetin 3'-methyl ether 7-glucoside C22H22O13 494.10604 29741-08-0 knapsack NA NA +FL5FECGS0060 Quercetagetin 7-methyl ether 6-glucoside;2-(3,4-Dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one C22H22O13 494.10604 224623-24-9 knapsack NA NA +FL5FECGS0061 Quercetagetin 7-methyl ether 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl]-3,5,6-trihydroxy-7-methoxy-4H-1-benzopyran-4-one C22H22O13 494.10604 235741-63-6 knapsack NA NA +FL5FFCGA0002 Ranupenin 3-galactoside C22H22O13 494.10604 67539-55-3 knapsack NA NA +FL5FFCGA0004 Corniculatusin 3-galactoside C22H22O13 494.10604 27560-04-9 knapsack NA NA +FL5FFCGL0004 Ranupenin 8-glucoside C22H22O13 494.10604 67550-03-2 knapsack NA NA +FL5FFCGL0006 Corniculatusin 3-glucoside C22H22O13 494.10604 85966-34-3 knapsack NA NA +FL5FFCGS0012 Haploside B C22H22O13 494.10604 77240-00-7 knapsack NA NA +FL5FFGGS0001 Hibiscetin 8-methyl ether 3-rhamnoside;8-Hydroxymyricetin 8-methyl ether 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-8-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C22H22O13 494.10604 167499-81-2 knapsack NA NA +FL5FGCGS0001 3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone 3-alpha-L-arabinopyranoside C22H22O13 494.10604 122327-79-1 knapsack NA NA +MJ073316 7-Chloro-5-hydroxytetracycline C22H23ClN2O9 494.109208 NA MeJP NA NA +MJ073317 Elsamicin A; 2'-O-Deglycosyl C26H22O10 494.121296 NA MeJP NA NA +MJ073318 Hydnocarpin D; 5'-Methoxy C26H22O10 494.121296 NA MeJP NA NA +MJ073319 Hydnocarpin; 5''-Methoxy C26H22O10 494.121296 NA MeJP NA NA +MJ073320 Salvianolic acid A C26H22O10 494.121296 NA MeJP NA NA +C10492 Salvianolic acid A C26H22O10 494.1213 NA KEGG NA NA +C11162 5'-Methoxyhydnocarpin-D C26H22O10 494.1213 NA KEGG NA NA +MJ073321 Echinothiophene C23H26O10S 494.124667 NA MeJP NA NA +MJ073322 Sucrose; 1'-O-(3,4,5-Trihydroxybenzoyl) C19H26O15 494.12717 NA MeJP NA NA +MJ073323 Sucrose; 2-O-(3,4,5-Trihydroxybenzoyl) C19H26O15 494.12717 NA MeJP NA NA +MJ073324 Sucrose; 4'-O-(3,4,5-Trihydroxybenzoyl) C19H26O15 494.12717 NA MeJP NA NA +MJ073325 Sucrose; 6'-O-(3,4,5-Trihydroxybenzoyl) C19H26O15 494.12717 NA MeJP NA NA +MJ073326 Sucrose; 6-O-(3,4,5-Trihydroxybenzoyl) C19H26O15 494.12717 NA MeJP NA NA +MetaCyc03708 N-adenylyl-L-phenylalanine [] C19H23N6O8P1 494.131498 NA metacyc NA NA +C03709 N-Adenylyl-L-phenylalanine C19H23N6O8P 494.1315 NA KEGG NA NA +PJ002755 DDDM C17H26N4O11S 494.1319 NA PeJP NA NA +MJ073327 Decursidinol, 3'-O-(3-Chloro-2-hydroxy-2-methylbutanoyl), 4'-O-(2,3-epoxy-2-methylbutanoyl) C24H27ClO9 494.13436 NA MeJP NA NA +MJ073328 1,4',5',8,9'-Pentahydroxy-2',6-dimethyl[2,9'-bianthracene]-9,10'(9'H,10H)-dione C30H22O7 494.136553 NA MeJP NA NA +MJ073329 3-[[(6-Methoxy-10-methyl-1H,3H-benzo[h]furo[4,3,2-de]-2-benzopyran-1-yl)oxy]methyl]-5-methylnaphtho[2,3-b]furan-4,9-dione C30H22O7 494.136553 NA MeJP NA NA +MJ073330 Bongosin C30H22O7 494.136553 NA MeJP NA NA +MJ073331 Palmidin B C30H22O7 494.136553 NA MeJP NA NA +FL2F3GGS0001 7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone 4'-O-glucoside C23H26O12 494.14242 115236-25-4 knapsack NA NA +FL2FAIGS0001 Peruvianoside I;Pervianoside I;(2R)-5,7,4'-Trihydroxy-3',5'-methoxyflavanone 5-glucoside C23H26O12 494.14242 450407-24-6 knapsack NA NA +FL2FAIGS0002 Peruvianoside II;(2S)-2,7,4'-Trihydroxy-3',5'-methoxyflavanone 5-glucoside C23H26O12 494.14242 450407-31-5 knapsack NA NA +FL4DFAGS0003 Dihydroprudomenin C23H26O12 494.14242 24512-61-6 knapsack NA NA +MJ073332 2',5,5',7,8-Pentahydroxyflavanone, 7,8-Di-Me ether, 2'-O-?-D-glucopyranoside C23H26O12 494.142426 NA MeJP NA NA +MJ073333 2-Glucosyl-1,3,5,6-tetrahydroxyxanthone; 3,5,6-Tri-Me ether, 7-methoxy C23H26O12 494.142426 NA MeJP NA NA +MJ073334 3',4',5',7,8-Pentahydroxyflavanone, 3',5'-Di-Me ether, 4'-O-?-D-glucopyranoside C23H26O12 494.142426 NA MeJP NA NA +MJ073335 3,4',5,7,8-Pentahydroxyflavanone, 4',8-Di-Me ether, 7-O-?-D-glucopyranoside C23H26O12 494.142426 NA MeJP NA NA +MJ073336 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C23H26O12 494.142426 NA MeJP NA NA +MJ073337 5,7-Dihydroxy-2,8-dimethyl-4H-1-benzopyran-4-one; 7-(2,3,6-Tri-O-acetyl-?-D-glucopyranoside) C23H26O12 494.142426 NA MeJP NA NA +MJ073338 5-(2-Propenyl)-1,2,3-benzenetriol; 1-Me ether, 3-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C23H26O12 494.142426 NA MeJP NA NA +MJ073339 Gardoside; 7-(4-Hydroxybenzoyl) C23H26O12 494.142426 NA MeJP NA NA +MJ073340 Geniposidic acid; 10-(4-Hydroxybenzoyl) C23H26O12 494.142426 NA MeJP NA NA +MJ073341 Sweroside; 2'-O-(2,3-Dihydroxybenzoyl) C23H26O12 494.142426 NA MeJP NA NA +MJ073342 Sweroside; 6'-O-(2,3-Dihydroxybenzoyl) C23H26O12 494.142426 NA MeJP NA NA +PJ002756 GSCND C16H26N6O10S 494.1431 NA PeJP NA NA +MJ073343 Carindacillin C26H26N2O6S 494.151157 NA MeJP NA NA +MJ073344 Gilvocarcin V C27H26O9 494.157682 NA MeJP NA NA +PJ002757 CNQM C17H30N6O7S2 494.1618 NA PeJP NA NA +MJ073345 Antibiotic SF 2415B3 C26H32Cl2O5 494.162679 NA MeJP NA NA +MJ073346 Nikkomycin B C21H26N4O10 494.164893 NA MeJP NA NA +MJ073347 1,5-Bis(1,3-dimethyl-6-lumazinyl)-2-methyl-1,5-pentanedione C22H22N8O6 494.16623 NA MeJP NA NA +PJ002758 SEEM C18H30N4O10S 494.1683 NA PeJP NA NA +PJ002759 CCNR C16H30N8O6S2 494.173 NA PeJP NA NA +MJ073348 2-Hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide C23H25F3N4O5 494.177704 NA MeJP NA NA +C09783 Harpagoside C24H30O11 494.1788 NA KEGG NA NA +MJ073349 1-(2,3,4-Trihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, 3',4,4',5'-Tetra-Me ether, 2-O-?-D-glucopyranoside C24H30O11 494.178811 NA MeJP NA NA +MJ073350 4,5-Epoxy-3,8,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(4-Acetoxy-3-methyl-2Z-butenoyl), 13-Ac C24H30O11 494.178811 NA MeJP NA NA +MJ073351 Ajugol; 6-O-(4-Hydroxy-E-cinnamoyl) C24H30O11 494.178811 NA MeJP NA NA +MJ073352 Dihydrocatalpolgenin; 10-Z-Cinnamoyl, 1-O-?-D-glucopyranoside(1?-) C24H30O11 494.178811 NA MeJP NA NA +MJ073353 Harpagide; 8-O-E-Cinnamoyl C24H30O11 494.178811 NA MeJP NA NA +MJ073354 Harpagide; 8-O-Z-Cinnamoyl C24H30O11 494.178811 NA MeJP NA NA +MJ073355 Loganic acid; 7-O-Benzoyl, Me ester C24H30O11 494.178811 NA MeJP NA NA +MJ073356 Paeonidanin C24H30O11 494.178811 NA MeJP NA NA +PJ002760 GSSNM C17H30N6O9S 494.1795 NA PeJP NA NA +MJ073357 Senacarcin A C25H26N4O7 494.180149 NA MeJP NA NA +PJ002761 PCEF C22H30N4O7S 494.1835 NA PeJP NA NA +PJ002762 VDMM C19H34N4O7S2 494.1869 NA PeJP NA NA +PJ002763 SDHH C19H26N8O8 494.1874 NA PeJP NA NA +C10994 Amdro C25H24F6N4 494.1905 NA KEGG NA NA +MJ073358 8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8-(4-Methoxybenzoyl), 11-(2-methyl-2-butenoyl) C28H30O8 494.194067 NA MeJP NA NA +MJ073359 Tajixanthone; 14-Methoxy, 25-Ac C28H30O8 494.194067 NA MeJP NA NA +MJ073360 Picrasidine C C29H26N4O4 494.195405 NA MeJP NA NA +MJ073361 Staurosporine; 4'-N-Formyl C29H26N4O4 494.195405 NA MeJP NA NA +PJ002764 SSSSQ C17H30N6O11 494.1973 NA PeJP NA NA +PJ002765 CNKM C18H34N6O6S2 494.1981 NA PeJP NA NA +PJ002766 GGCKM C18H34N6O6S2 494.1982 NA PeJP NA NA +MJ073362 Patriscabrol; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C21H34O13 494.199941 NA MeJP NA NA +PJ002767 SPEY C22H30N4O9 494.2013 NA PeJP NA NA +MJ073363 Antibiotic EI 1511-3 C27H30N2O7 494.205301 NA MeJP NA NA +PJ002768 AMHH C20H30N8O5S 494.206 NA PeJP NA NA +MJ073364 6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione, 17,21-Di-Ac C26H32F2O7 494.211609 NA MeJP NA NA +MJ073365 Fluocinolone; 16,17-Acetonide, 21-Ac C26H32F2O7 494.211609 NA MeJP NA NA +PJ002769 GQQY C21H30N6O8 494.2125 NA PeJP NA NA +MJ073366 1,7-Bis(3,4-dihydroxyphenyl)-3-heptanol, 3-O-?-D-Glucopyranoside C25H34O10 494.215197 NA MeJP NA NA +MJ073367 12,16-Dihydro-6,7,12,14-tetrahydroxy-16-oxovinhaticoic acid, 6,7-Di-Ac, Me ester C25H34O10 494.215197 NA MeJP NA NA +MJ073368 2,8,9,15-Tetrahydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Methylpropanoyl), 9-(2-methylbutanoyl), Me ester C25H34O10 494.215197 NA MeJP NA NA +MJ073369 4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, O-(3,6-Di-O-acetyl-?-D-glucopyranoside) C25H34O10 494.215197 NA MeJP NA NA +MJ073370 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Dihydroxy-2-methylbutanoyl), 9-(2-methylpropanoyl), Me ester (1) C25H34O10 494.215197 NA MeJP NA NA +MJ073371 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Dihydroxy-2-methylbutanoyl), 9-(2-methylpropanoyl), Me ester (2) C25H34O10 494.215197 NA MeJP NA NA +MJ073372 Bondenolide C25H34O10 494.215197 NA MeJP NA NA +MJ073373 Gibberellin A20; 13-O-?-D-Glucopyranoside C25H34O10 494.215197 NA MeJP NA NA +MJ073374 Gibberellin A4; ?-D-Glucopyranosyl ester C25H34O10 494.215197 NA MeJP NA NA +MJ073375 Glaucarubol; 2-Ketone, 15-(2-hydroxy-2-methylbutanoyl) C25H34O10 494.215197 NA MeJP NA NA +MJ073376 Glaucarubol; 2-Ketone, 15-(3-hydroxy-3-methylbutanoyl) C25H34O10 494.215197 NA MeJP NA NA +MJ073377 Indaquassin D C25H34O10 494.215197 NA MeJP NA NA +MJ073378 Marmin, 6'-O-?-D-Glucopyranoside C25H34O10 494.215197 NA MeJP NA NA +MJ073379 Marmin, 7'-O-?-D-Glucopyranoside C25H34O10 494.215197 NA MeJP NA NA +MJ073380 Secoisolariciresinol, 9-O-?-D-Xylopyranoside C25H34O10 494.215197 NA MeJP NA NA +C08763 Glaucarubinone C25H34O10 494.2152 NA KEGG NA NA +C08784 Soularubinone C25H34O10 494.2152 NA KEGG NA NA +PJ002770 GSTCK C18H34N6O8S 494.2159 NA PeJP NA NA +MJ073381 Oreganic acid C22H38O10S 494.218568 NA MeJP NA NA +PJ002771 PCLY C23H34N4O6S 494.2199 NA PeJP NA NA +PJ002772 TLMM C20H38N4O6S2 494.2233 NA PeJP NA NA +MJ073382 Clocortolone; 21-(2,2-Dimethylpropanoyl) C27H36ClFO5 494.22353 NA MeJP NA NA +PJ002773 TTHH C20H30N8O7 494.2238 NA PeJP NA NA +MJ073383 1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl C29H34O7 494.230453 NA MeJP NA NA +MJ073384 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl C29H34O7 494.230453 NA MeJP NA NA +MJ073385 1-(3,7-Dimethyl-2,6-octadienyl)-2,3,6,8-tetrahydroxy-7-(3-methyl-2-butenyl)xanthone, 2-Me ether, 4''-hydroxy C29H34O7 494.230453 NA MeJP NA NA +MJ073386 2,14-Dihydroxy-5,8(17),11-briaratrien-18,7-olide, 11?,12?-Epoxide, 2-benzoyl, 14-Ac C29H34O7 494.230453 NA MeJP NA NA +MJ073387 2,3,6,8-Tetrahydroxy-1-(3,7-dimethyl-2,6-octadienyl)-5-prenylxanthone, 2-Me ether, 4''-hydroxy C29H34O7 494.230453 NA MeJP NA NA +MJ073388 Bisevoleptin A C29H34O7 494.230453 NA MeJP NA NA +MJ073389 Forbesione; 7-Methoxy C29H34O7 494.230453 NA MeJP NA NA +MJ073390 Microlenin C29H34O7 494.230453 NA MeJP NA NA +C09510 Microlenin C29H34O7 494.2305 NA KEGG NA NA +MJ073391 Furodysinin, 14-Mercapto, disulfide dimer C30H38O2S2 494.231321 NA MeJP NA NA +PJ002774 SSSSK C18H34N6O10 494.2337 NA PeJP NA NA +MJ073392 2,6-Dimethyl-2,6-octadiene-1,8-diol, 1,8-Di-O-?-D-glucopyranoside C22H38O12 494.236326 NA MeJP NA NA +MJ073393 Ustiloxin D C23H34N4O8 494.237664 NA MeJP NA NA +PJ002775 ALEY C23H34N4O8 494.2377 NA PeJP NA NA +CJneg0631 Hydroxyretinoic Glucuronide (and isomers) [(M-H)]- (18O) C26H35O818O 494.241625 C18rt(min)=8.95 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0631 Hydroxyretinoic Glucuronide (and isomers) [(M-H)]- (18O) C26H35O818O 494.241625 C18rt(min)=8.95 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ073394 Cezomycin C28H34N2O6 494.241686 NA MeJP NA NA +MJ073395 N,N'-Bis(4-amino-2-methyl-6-quinolinyl)-2,2-di-2-propenylpropanediamide C29H30N6O2 494.243024 NA MeJP NA NA +C13783 UCL 1684 C34H30N4 494.247 NA KEGG NA NA +MJ073396 6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione, 21-(2,2-Dimethylpropanoyl) C27H36F2O6 494.247995 NA MeJP NA NA +PJ002776 GQKY C22H34N6O7 494.2489 NA PeJP NA NA +MJ073397 11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 7,9,10-Tri-Ac C26H38O9 494.251582 NA MeJP NA NA +MJ073398 11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 7,9,13-Tri-Ac C26H38O9 494.251582 NA MeJP NA NA +MJ073399 11,15-Dihydroxy-16-kauren-19-oic acid, 15-Ketone, ?-D-glucopyranosyl ester C26H38O9 494.251582 NA MeJP NA NA +MJ073400 12,15-Dihydroxy-16-kauren-19-oic acid, 15-Ketone, ?-D-glucopyranosyl ester C26H38O9 494.251582 NA MeJP NA NA +MJ073401 16-Kaurene-1,3,6,7,11,15-hexol, 1,7,11-Tri-Ac C26H38O9 494.251582 NA MeJP NA NA +MJ073402 16-Kaurene-1,3,6,7,11,15-hexol, 7,11,15-Tri-Ac C26H38O9 494.251582 NA MeJP NA NA +MJ073403 16-Kaurene-2,3,6,7,11,15-hexol, 3,6,7-Tri-Ac C26H38O9 494.251582 NA MeJP NA NA +MJ073404 16-Kaurene-2,3,6,7,11,15-hexol, 3,7,11-Tri-Ac C26H38O9 494.251582 NA MeJP NA NA +MJ073405 18-Hydroxy-3,13-clerodadien-16,15-olide, 18-Carboxylic acid, ?-D-glucopyranosyl ester C26H38O9 494.251582 NA MeJP NA NA +MJ073406 2,19:4,18:11,16:15,16-Tetraepoxy-3,6,19-clerodanetriol, 19-(2-Methylpropanoyl), 6-Ac C26H38O9 494.251582 NA MeJP NA NA +MJ073407 2,19:4,18:11,16:15,16-Tetraepoxy-6,15,19-clerodanetriol, 19-(2-Methylpropanoyl), 6-Ac C26H38O9 494.251582 NA MeJP NA NA +MJ073408 2,8,10,11-Tetrahydroxy-3-guaien-12,6-olide, 2-(2-Methylbutanoyl), 8-butanoyl, 10-Ac C26H38O9 494.251582 NA MeJP NA NA +MJ073409 3,13-Clerodadien-15,12-olid-18-oic acid, ?-D-Glucopyranosyl ester C26H38O9 494.251582 NA MeJP NA NA +MJ073410 3,19-Dihydroxy-8(17),11,13-labdatrien-16,15-olide, 19-O-?-D-Glucopyranoside C26H38O9 494.251582 NA MeJP NA NA +MJ073411 4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 2,10,13-Tri-Ac C26H38O9 494.251582 NA MeJP NA NA +MJ073412 4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 7,9,10-Tri-Ac C26H38O9 494.251582 NA MeJP NA NA +MJ073413 4,18-Epoxy-6,8,11,19-tetrahydroxy-13-cleroden-15,16-olide, 6-(Methylpropanoyl), 11-Ac C26H38O9 494.251582 NA MeJP NA NA +MJ073414 4,18:11,16:15,16-Triepoxy-6,14,19-clerodanetriol, Tri-Ac C26H38O9 494.251582 NA MeJP NA NA +MJ073415 4,18:8,13-Diepoxy-6,11,19-trihydroxy-15,16-clerodanolide, 6-(2-Methylpropanoyl), 19-Ac C26H38O9 494.251582 NA MeJP NA NA +MJ073416 6,13:9,12-Diepoxy-8(19)-eunicellene-2,3,4,9-tetrol, 2,3,4-Tri-Ac C26H38O9 494.251582 NA MeJP NA NA +MJ073417 6,13:9,12-Diepoxy-8(19)-eunicellene-2,3,4,9-tetrol, ?7-Isomer(Z), 2,3,4-tri-Ac C26H38O9 494.251582 NA MeJP NA NA +MJ073418 6,7-Dihydroxy-16-kauren-19-oic acid, 7-Ketone, 6-O-?-D-glucopyranoside C26H38O9 494.251582 NA MeJP NA NA +MJ073419 7,15-Dihydroxy-16-kauren-19-oic acid, 15-Ketone, ?-D-glucopyranosyl ester C26H38O9 494.251582 NA MeJP NA NA +MJ073420 7,20-Epoxy-1,6,7,11,17-pentahydroxy-15-kauranone, 17-Et ether, 1,11-di-Ac C26H38O9 494.251582 NA MeJP NA NA +MJ073421 9,15-Dihydroxy-16-atisen-19-oic acid, 15-Ketone, ?-D-glucopyranosyl ester C26H38O9 494.251582 NA MeJP NA NA +MJ073422 9,15-Dihydroxy-16-kauren-19-oic acid, 15-Ketone, ?-D-glucopyranosyl ester C26H38O9 494.251582 NA MeJP NA NA +MJ073423 Antibiotic SI 4228D C26H38O9 494.251582 NA MeJP NA NA +MJ073424 Luminacin; Luminacin E1 C26H38O9 494.251582 NA MeJP NA NA +MJ073425 Luminacin; Luminacin E3 C26H38O9 494.251582 NA MeJP NA NA +MJ073426 Valtrate; 7,11-Bisdeacyl, 7-O-(3-methylpentanoyl), 11-O-(3-hydroxy-3-methylbutanoyl) C26H38O9 494.251582 NA MeJP NA NA +PJ002777 VVMF C24H38N4O5S 494.2563 NA PeJP NA NA +PJ002778 PNKH C21H34N8O6 494.2602 NA PeJP NA NA +FL1DACNI0002 2',4',6',3,4-Pentahydroxy-3'-geranyl-5-prenyldihydrochalcone C30H38O6 494.26683 205109-19-9 knapsack NA NA +MJ073427 2,3-Dihydroxy-6-oxo-24-nor-1,3,5(10),7-friedelatetraene-23,29-dioic acid; 23-Aldehyde, 29-Me ester C30H38O6 494.266838 NA MeJP NA NA +MJ073428 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-Cinnamoyl C30H38O6 494.266838 NA MeJP NA NA +MJ073429 3-Hydroxyambrosin damsinate C30H38O6 494.266838 NA MeJP NA NA +MJ073430 Artesieversin C30H38O6 494.266838 NA MeJP NA NA +MJ073431 Azadirone; 11?-Acetoxy C30H38O6 494.266838 NA MeJP NA NA +MJ073432 Azadirone; 11?-Acetoxy C30H38O6 494.266838 NA MeJP NA NA +MJ073433 Azadirone; 6?-Acetoxy C30H38O6 494.266838 NA MeJP NA NA +MJ073434 Azadirone; 6?-Acetoxy C30H38O6 494.266838 NA MeJP NA NA +MJ073435 Biperezone C30H38O6 494.266838 NA MeJP NA NA +MJ073436 Caleamyrcenolide C30H38O6 494.266838 NA MeJP NA NA +MJ073437 Celastrol; 21-Oxo, 15?-hydroxy, Me ester C30H38O6 494.266838 NA MeJP NA NA +MJ073438 Netzahualcoyondiol C30H38O6 494.266838 NA MeJP NA NA +MJ073439 Pinoresinol, Bis-O-(3-methyl-2-butenyl) C30H38O6 494.266838 NA MeJP NA NA +MJ073440 Podachaenin C30H38O6 494.266838 NA MeJP NA NA +MJ073441 Ripostatin A C30H38O6 494.266838 NA MeJP NA NA +MJ073442 Ripostatin C C30H38O6 494.266838 NA MeJP NA NA +MJ073443 Buchtienine C31H34N4O2 494.268176 NA MeJP NA NA +MJ073444 Isocinchophyllamine; 4',17-Didehydro C31H34N4O2 494.268176 NA MeJP NA NA +MJ073445 Usambarensine; 1R',2',3',4'-Tetrahydro, Nb-methoxycarbonyl(?-) C31H34N4O2 494.268176 NA MeJP NA NA +MJ073446 3,26-Dihydroxycholesta-7,22-dien-6-one, 26-Sulfate C27H42O6S 494.270209 NA MeJP NA NA +MJ073447 3-Hydroxycholesta-5,24-dien-19-oic acid, 3-Sulfate C27H42O6S 494.270209 NA MeJP NA NA +PJ002779 SLLY C24H38N4O7 494.2741 NA PeJP NA NA +MJ073448 Alteramide A; 25-Deoxy C29H38N2O5 494.278072 NA MeJP NA NA +MJ073449 Antibiotic SS 8201B C29H38N2O5 494.278072 NA MeJP NA NA +MJ073450 Joramine; 2'-Hydroxy C23H38N6O6 494.285282 NA MeJP NA NA +PJ002780 GKKY C23H38N6O6 494.2853 NA PeJP NA NA +MJ073451 1,3-Dihydroxypregn-16-en-20-one, 3-O-?-D-Glucopyranoside C27H42O8 494.287968 NA MeJP NA NA +MJ073452 2,19-Dihydroxy-13(16)-isocopalen-15-oic acid, 2,19-Di-Ac, (1,3-dihydroxy-2-propyl) ester C27H42O8 494.287968 NA MeJP NA NA +MJ073453 2,3,14,22,25-Pentahydroxy-6-oxocholest-7-en-26-oic acid C27H42O8 494.287968 NA MeJP NA NA +MJ073454 3,14-Dihydroxypregn-5-en-20-one, 3-O-?-D-Glucopyranoside C27H42O8 494.287968 NA MeJP NA NA +MJ073455 3,16-Dihydroxy-13(17)-mansumbinen-28-oic acid, 16-O-?-L-Arabinofuranoside C27H42O8 494.287968 NA MeJP NA NA +MJ073456 3,19-Dihydroxy-13(16)-isocopalen-15-oic acid, 3,19-Di-Ac, (1,3-dihydroxy-2-propyl) ester C27H42O8 494.287968 NA MeJP NA NA +MJ073457 3,4-Epoxy-11,14-dihydroxy-12-cyathen-15-al, 11-Et ether, 14-O-?-D-xylopyranoside C27H42O8 494.287968 NA MeJP NA NA +MJ073458 Soraphen A; 12,13-Dihydro, 10,11-bis-O-de-Me C27H42O8 494.287968 NA MeJP NA NA +MJ073459 Soraphen R; 10-Me ether C27H42O8 494.287968 NA MeJP NA NA +MJ073460 N-[[4-[[[6,7-Dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-2H-pyran-4-aminium(1+) C33H39N2O2(+) 494.293328 NA MeJP NA NA +MJ073461 Allothiobinupharidine C30H42N2O2S 494.296699 NA MeJP NA NA +MJ073462 Neothiobinupharidine C30H42N2O2S 494.296699 NA MeJP NA NA +MJ073463 Thiobinupharidine C30H42N2O2S 494.296699 NA MeJP NA NA +C09990 Thiobinupharidine C30H42N2O2S 494.2967 NA KEGG NA NA +MJ073464 Lacrimin A C31H42O5 494.303224 NA MeJP NA NA +MJ073465 Milbemycin ?3 C31H42O5 494.303224 NA MeJP NA NA +MJ073466 6,7?-Oxidodeoxynupharidine dimer C30H42N2O4 494.314457 NA MeJP NA NA +MJ073467 Aragusterol C C29H47ClO4 494.316287 NA MeJP NA NA +PJ002781 LLLH C24H42N6O5 494.3217 NA PeJP NA NA +MJ073468 2,3,11,14,20,22-Hexahydroxyergost-7-en-6-one C28H46O7 494.324353 NA MeJP NA NA +MJ073469 2,3,14,20,22,24-Hexahydroxyergost-7-en-6-one C28H46O7 494.324353 NA MeJP NA NA +MJ073470 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 25-Me ether C28H46O7 494.324353 NA MeJP NA NA +MJ073471 2,3,14,20,22,25-Hexahydroxyergost-7-en-6-one C28H46O7 494.324353 NA MeJP NA NA +MJ073472 2,3,14,20,22,26-Hexahydroxyergost-7-en-6-one C28H46O7 494.324353 NA MeJP NA NA +MJ073473 Ergosta-7,22-diene-2,3,5,6,9,11,19-heptol C28H46O7 494.324353 NA MeJP NA NA +MJ073474 Pregn-5-ene-3,17,20-triol, 3-O-?-D-Digitalopyranoside C28H46O7 494.324353 NA MeJP NA NA +MJ073475 Pregnane-3,12,14,17,20-pentol, 12-(2-Methylbutanoyl), 20-Ac C28H46O7 494.324353 NA MeJP NA NA +C08829 Makisterone B C28H46O7 494.3244 NA KEGG NA NA +C16874 Makisterone A C28H46O7 494.3244 NA KEGG NA NA +C09043 Auricularine C33H42N4 494.3409 NA KEGG NA NA +MJ073476 Auricularine C33H42N4 494.340947 NA MeJP NA NA +MJ073477 Borreverine; N4-Me C33H42N4 494.340947 NA MeJP NA NA +MJ073478 Isoborreverine; N4-Me C33H42N4 494.340947 NA MeJP NA NA +MJ073479 28-Homobrassinolide C29H50O6 494.360739 NA MeJP NA NA +MJ073480 Cholestane-3,5,6,15,18-pentol, 18-Ac C29H50O6 494.360739 NA MeJP NA NA +MJ073481 Schkuhrianol C29H50O6 494.360739 NA MeJP NA NA +MJ073482 Stigmastane-3,5,6,15,29-pentol, 29-Carboxylic acid C29H50O6 494.360739 NA MeJP NA NA +MJ073483 17,29-Tritriacontadiene-2,4,32-triyne-1,6,31-triol; 17,18-Didehydo C33H50O3 494.375995 NA MeJP NA NA +MJ073484 2,6,10,15,19,23-Hexamethyl-6,10,14,18-tetracosatetraene-2,3,22,23-tetrol, 1-Hydroxy C30H54O5 494.397124 NA MeJP NA NA +MJ073485 Quassiol A C30H54O5 494.397124 NA MeJP NA NA +MJ073486 Quassiol C C30H54O5 494.397124 NA MeJP NA NA +MJ073487 20(29)-Lupen-3-ol, 2E-Butenoyl C34H54O2 494.41238 NA MeJP NA NA +MJ073488 28-Hydroxy-7,16,18-hentriacontanetrione C31H58O4 494.43351 NA MeJP NA NA +MJ073489 Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 1'-O-Dodecanoyl C31H58O4 494.43351 NA MeJP NA NA +MJ073490 Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 3-O-Dodecanoyl C31H58O4 494.43351 NA MeJP NA NA +MJ073491 Polyprenol; Betulaprenol 7 C35H58O 494.448766 NA MeJP NA NA +MJ073492 Budmunchiamine C; 10'-Oxo C29H58N4O2 494.455977 NA MeJP NA NA +MJ073493 Budmunchiamine C; 9'-Oxo C29H58N4O2 494.455977 NA MeJP NA NA +MJ073494 Corynomycolic acid, 11,12-Didehydro C32H62O3 494.469895 NA MeJP NA NA +MJ073495 C36 Botryococcene C36H62 494.485151 NA MeJP NA NA +MJ073496 Budmunchiamine K; N1-De-Me C30H62N4O 494.492362 NA MeJP NA NA +MJ073497 Budmunchiamine K; N13-De-Me C30H62N4O 494.492362 NA MeJP NA NA +MJ073498 Budmunchiamine K; N9-De-Me C30H62N4O 494.492362 NA MeJP NA NA +MJ073499 18-Hydroxy-16-tritriacontanone C33H66O2 494.506281 NA MeJP NA NA +MJ073500 28-Hydroxy-10-triacontanone C33H66O2 494.506281 NA MeJP NA NA +MJ073501 Tritriacontanoic acid C33H66O2 494.506281 NA MeJP NA NA +MJ073502 1-Methoxy-2,28-dimethylhentriacontane C34H70O 494.542666 NA MeJP NA NA +MJ073503 1-Tetratriacontanol C34H70O 494.542666 NA MeJP NA NA +MJ073504 11-Methyl-1-tritriacontanol C34H70O 494.542666 NA MeJP NA NA +MJ073505 31-Methyl-1-tritriacontanol C34H70O 494.542666 NA MeJP NA NA +MJ073506 32-Methyl-1-tritriacontanol C34H70O 494.542666 NA MeJP NA NA +7406 celiac sprue gluten epitope found in secalin QQHPQQPQ 494.726 MH2+ Inhouse_peptide NA peptide +2586 tenecin-1 (33-43) YCNGKRVCVCR~ 494.78745 MH2+ Inhouse_peptide NA peptide +MJ073507 Dysidenin; 13-Demethyl, 5-epimer, 11-dechloro C16H22Cl5N3O2S 494.987536 NA MeJP NA NA +MJ073508 Dysidenin; 13-Demethyl, 5-epimer, 9-dechloro C16H22Cl5N3O2S 494.987536 NA MeJP NA NA +MJ073509 Brindoxime C18H19Br2N5O2 494.99055 NA MeJP NA NA +C04895 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine C9H16N5O13P3 494.9957 NA KEGG NA NA +MJ073510 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine triphosphate C9H16N5O13P3 494.995745 NA MeJP NA NA +MetaCyc03709 dihydromonapterin-triphosphate [H2MTP;6-(L-threo-1',2',3'-trihydroxypropyl)-7,8-dihydropterin-3'-triphosphate;] C9H16N5O13P3 494.995745 NA metacyc NA NA +MetaCyc03710 6-[(1S,2R)-1,2-dihydroxy-3-triphosphooxypropyl]-7,8-dihydropterin [2-amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl dihydropteridine triphosphate;6-(L-erythro-1,2-Dihydroxypropyl 3-triphosphate)-7,8-dihydropterin;] C9H16N5O13P3 494.995745 NA metacyc NA NA +HMDB00980 Dihydroneopterin triphosphate C9H16N5O13P3 494.995758 NA HMDB2010 NA NA +HMDB00980 Dihydroneopterin triphosphate C9H16N5O13P3 494.99576 http://www.hmdb.ca/metabolites/HMDB00980 HMDB NA NA +HMDB00980 Dihydroneopterin triphosphate C9H16N5O13P3 494.99576 HMDB00980 PFEM_hmdb_metabocards_official NA NA +MJ073511 1-[(Hydroxymethyl)propyl] glucosinolate; O-Benzoyl C18H25NO11S2 495.086902 NA MeJP NA NA +MJ073512 4-Hydroxybutyl glucosinolate; Benzoyl C18H25NO11S2 495.086902 NA MeJP NA NA +C16426 Isopentenyladenosine-5'-diphosphate C15H23N5O10P2 495.092 NA KEGG NA NA +MetaCyc03711 isopentenyladenosine-5'-diphosphate [iPDP;isopentenyladenosine riboside-5'-diphosphate;iPRDP;] C15H23N5O10P2 495.092015 NA metacyc NA NA +MJ073513 Antibiotic L 640876 C22H21N7O3S2 495.114728 NA MeJP NA NA +MJ073514 Polyoxin L; 5-Fluoro C16H22FN5O12 495.124899 NA MeJP NA NA +PJ002782 GSCDD C16H25N5O11S 495.1272 NA PeJP NA NA +MJ073515 Alkaloid CB2 C24H21N3O9 495.127779 NA MeJP NA NA +PJ002783 APCCC C17H29N5O6S3 495.128 NA PeJP NA NA +PJ002784 CNEM C17H29N5O8S2 495.1458 NA PeJP NA NA +C17731 Sodium folinate C20H22N7O7 495.1478 NA KEGG NA NA +MJ073516 Carminomycin I; 9-Deoxy, 9,10-didehydro C26H25NO9 495.152931 NA MeJP NA NA +PJ002785 CCDR C16H29N7O7S2 495.157 NA PeJP NA NA +MJ073517 Aureonuclemycin; O9-Me, 4-Ac, Me ester C20H25N5O10 495.160142 NA MeJP NA NA +MJ073518 Nikkomycin X C20H25N5O10 495.160142 NA MeJP NA NA +MJ073519 Nikkomycin Z C20H25N5O10 495.160142 NA MeJP NA NA +MJ073520 Nikkomycin pseudo-Z C20H25N5O10 495.160142 NA MeJP NA NA +PJ002786 GCMW C21H29N5O5S2 495.161 NA PeJP NA NA +PJ002787 GSSDM C17H29N5O10S 495.1635 NA PeJP NA NA +PJ002788 STCW C21H29N5O7S 495.1788 NA PeJP NA NA +MJ073521 Nicomorphine C29H25N3O5 495.17942 NA MeJP NA NA +PJ002789 SSSSE C17H29N5O12 495.1813 NA PeJP NA NA +PJ002790 SQMM C18H33N5O7S2 495.1822 NA PeJP NA NA +MJ073522 Clopimozide C28H28ClF2N3O 495.188896 NA MeJP NA NA +PJ002791 SCMR C17H33N7O6S2 495.1934 NA PeJP NA NA +C11201 Isometamidium chloride C28H26N7 495.1938 NA KEGG NA NA +MJ073523 Isometamidium(1+); Chloride C28H26ClN7 495.193821 NA MeJP NA NA +PJ002792 GQEY C21H29N5O9 495.1965 NA PeJP NA NA +PJ002793 GGAEY C21H29N5O9 495.1966 NA PeJP NA NA +PJ002794 GSTTM C18H33N5O9S 495.1999 NA PeJP NA NA +MJ073524 Amipurimycin C20H29N7O8 495.20776 NA MeJP NA NA +PJ002795 PNEH C20H29N7O8 495.2078 NA PeJP NA NA +PJ002796 QYW C25H29N5O6 495.2118 NA PeJP NA NA +PJ002797 AQMF C22H33N5O6S 495.2152 NA PeJP NA NA +C15626 GW 1929 C30H29N3O4 495.2158 NA KEGG NA NA +MJ073525 N-(2-Benzoylphenyl)-O-[2-(methyl-2-pyridinylamino)ethyl]tyrosine C30H29N3O4 495.215806 NA MeJP NA NA +PJ002798 SSTTT C18H33N5O11 495.2177 NA PeJP NA NA +PJ002799 SKMM C19H37N5O6S2 495.2185 NA PeJP NA NA +PJ002800 GPHW C24H29N7O5 495.223 NA PeJP NA NA +MJ073526 7,18-Dihydroxy-16,18-dimethyl-10-phenyl-21,23-dioxa[13]cytochalasa-5,13,19-triene-1,17,22-trione C28H33NO7 495.225702 NA MeJP NA NA +MJ073527 Cytochalasin E C28H33NO7 495.225702 NA MeJP NA NA +PJ002801 ACFR C21H33N7O5S 495.2264 NA PeJP NA NA +PJ002802 GKEY C22H33N5O8 495.2329 NA PeJP NA NA +MJ073528 2,3-Dihydro-1-(3-hydroxypropyl)-5-[2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-indole-7-carboxamide C25H32F3N3O4 495.234491 NA MeJP NA NA +EUR855 Lyso PE 18:4 [M+Na]+ C23H40NO7P 495.236188 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR855 Lyso PE 18:4 [M+Na]+ C23H40NO7P 495.236188 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR855 Lyso PE 18:4 [M+Na]+ C23H40NO7P 495.236188 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR855 Lyso PE 18:4 [M+Na]+ C23H40NO7P 495.236188 masses lipides attendues Inhousejuil11 NA NA +MJ073529 Andrimid; 3-Epimer, 3-hydroxy C27H33N3O6 495.236935 NA MeJP NA NA +MJ073530 Capparidisine C27H33N3O6 495.236935 NA MeJP NA NA +MJ073531 Capparisine; 28-Methoxy C27H33N3O6 495.236935 NA MeJP NA NA +MJ073532 Cerebrocrast C26H35F2NO6 495.243244 NA MeJP NA NA +PJ002803 GTRY C21H33N7O7 495.2442 NA PeJP NA NA +MJ073533 Antibiotic AB 3217A; 13-O-(6-Hydroxy-6-methylheptanoyl) C25H37NO9 495.246831 NA MeJP NA NA +PJ002804 KYW C26H33N5O5 495.2482 NA PeJP NA NA +PJ002805 AKMF C23H37N5O5S 495.2516 NA PeJP NA NA +PJ002806 SPHR C20H33N9O6 495.2554 NA PeJP NA NA +MJ073534 Heteratisine; O6-Benzoyl C29H37NO6 495.262087 NA MeJP NA NA +MJ073535 Lythrancine I; O11-Ac C29H37NO6 495.262087 NA MeJP NA NA +MJ073536 Norzoanthamine; 11-Oxo C29H37NO6 495.262087 NA MeJP NA NA +MJ073537 Zampanolide C29H37NO6 495.262087 NA MeJP NA NA +PJ002807 SVKY C23H37N5O7 495.2693 NA PeJP NA NA +MJ073538 Antibiotic WA 3854; Antibiotic WA 3854A, 1-Aldehyde C28H37N3O5 495.273321 NA MeJP NA NA +PJ002808 VLQH C22H37N7O6 495.2806 NA PeJP NA NA +MJ073539 Browniine; O6-De-Me, O6-Ac C26H41NO8 495.283217 NA MeJP NA NA +MJ073540 Delbine; O1,O14-Di-Me, O8-Ac C26H41NO8 495.283217 NA MeJP NA NA +MJ073541 Delcosine; O14-Ac C26H41NO8 495.283217 NA MeJP NA NA +MJ073542 Delectinine; 14-Ac C26H41NO8 495.283217 NA MeJP NA NA +MJ073543 Delphatine; 19-Oxo C26H41NO8 495.283217 NA MeJP NA NA +MJ073544 Delsoline; O6-De-Me, O6-Ac C26H41NO8 495.283217 NA MeJP NA NA +MJ073545 Neoline; 10-Hydroxy, O14-Ac C26H41NO8 495.283217 NA MeJP NA NA +MJ073546 Pubescenine C26H41NO8 495.283217 NA MeJP NA NA +MJ073547 Senbusine C; 8-Ac C26H41NO8 495.283217 NA MeJP NA NA +MJ073548 Talitine C; O1-De-Ac, O1-Me C26H41NO8 495.283217 NA MeJP NA NA +C07222 Mibefradil C29H38FN3O3 495.2897 NA KEGG NA NA +C07223 Transferred to D00416 C29H38FN3O3 495.2897 NA KEGG NA NA +MJ073549 Mibefradil C29H38FN3O3 495.28972 NA MeJP NA NA +C17705 Antibiotic JI-20B C20H41N5O9 495.2904 NA KEGG NA NA +MJ073550 Antibiotic JI 20B C20H41N5O9 495.290427 NA MeJP NA NA +PJ002809 ALHR C21H37N9O5 495.2918 NA PeJP NA NA +MJ073551 Karakoline; O1-Me ether, O14-benzoyl C30H41NO5 495.298473 NA MeJP NA NA +MJ073552 Karakoline; O14-Me, O1-benzoyl C30H41NO5 495.298473 NA MeJP NA NA +MJ073553 Zoanthamine C30H41NO5 495.298473 NA MeJP NA NA +PJ002810 GPPLL C24H41N5O6 495.3057 NA PeJP NA NA +PJ002811 VLKH C23H41N7O5 495.3169 NA PeJP NA NA +MJ073554 Sabine C27H45NO7 495.319602 NA MeJP NA NA +CJpos0810 Lysophosphatidylcholine LysoPC(16:0) [(M+H)]+ C24H51NO7P 495.331975 C18rt(min)=11.67 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0810 Lysophosphatidylcholine LysoPC(16:0) [(M+H)]+ C24H51NO7P 495.331975 C18rt(min)=11.67 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +MJ073555 Martinelline; Parent acid C27H41N7O2 495.332173 NA MeJP NA NA +EUR581 LysoPC(16:0) NA 495.332175 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR581 LysoPC(16:0) [M+H]+ 495.332175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR581 LysoPC(16:0) NA 495.332175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR581 LysoPC(16:0) [M+H]+ 495.332175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR581 LysoPC(16:0) NA 495.332175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR581 LysoPC(16:0) [M+H]+ 495.332175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR581 LysoPC(16:0) NA 495.332175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR581 LysoPC(16:0) NA 495.332175 identifiés dans sérum NuGO HMDB NA NA +EUR581 LysoPC(16:0) NA 495.332175 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR581 LysoPC(16:0) [M+H]+ 495.332175 identifies dans serum NuGO Inhousejuil11 NA NA +EUR581 LysoPC(16:0) NA 495.332175 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR581 LysoPC(16:0) NA 495.332175 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +HMDB10382 LysoPC(16:0) C24H50NO7P 495.332489 NA HMDB2010 NA NA +MJ073556 ?-Lysolecithin C24H50NO7P 495.332489 NA MeJP NA NA +EUR654 Lyso PC 16:0 monoisotopic mass C24H50NO7P 495.332492 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR706 Lyso PE (20:0) [M-H-CH3]- C25H52NO7P 495.332492 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR861 Lyso PE 20:0 [M-H-CH3]- C25H52NO7P 495.332492 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR654 Lyso PC 16:0 monoisotopic mass C24H50NO7P 495.332492 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR706 Lyso PE (20:0) [M-H-CH3]- C25H52NO7P 495.332492 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR861 Lyso PE 20:0 [M-H-CH3]- C25H52NO7P 495.332492 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR654 Lyso PC 16:0 monoisotopic mass C24H50NO7P 495.332492 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR706 Lyso PE (20:0) [M-H-CH3]- C25H52NO7P 495.332492 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR861 Lyso PE 20:0 [M-H-CH3]- C25H52NO7P 495.332492 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR654 Lyso PC 16:0 monoisotopic mass C24H50NO7P 495.332492 masses lipides attendues Inhousejuil11 NA NA +EUR706 Lyso PE (20:0) [M-H-CH3]- C25H52NO7P 495.332492 masses lipides attendues Inhousejuil11 NA NA +EUR861 Lyso PE 20:0 [M-H-CH3]- C25H52NO7P 495.332492 masses lipides attendues Inhousejuil11 NA NA +MLBis012 Lysophosphatidylcholine 16 0 HMDB10382_RT15.32_add 495.3331 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis012 Lysophosphatidylcholine 16 0 HMDB10382_RT15.32_add 495.3331 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis012 Lysophosphatidylcholine 16 0 HMDB10382_RT15.32_add 495.3331 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis012 Lysophosphatidylcholine 16 0 HMDB10382_RT15.32_add 495.3331 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis012 Lysophosphatidylcholine 16 0 HMDB10382_RT15.32_add 495.3331 Mlbis HMDB NA NA +MLBis012 Lysophosphatidylcholine 16 0 HMDB10382_RT15.32_add 495.3331 Mlbis Inhouse_PFEM NA NA +MLBis012 Lysophosphatidylcholine 16 0 HMDB10382_RT15.32_add 495.3331 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis012 Lysophosphatidylcholine 16 0 HMDB10382_RT15.32_add 495.3331 Mlbis PFEM_hmdb_metabocards_official NA NA +MJ073557 Indanomycin; 8,9-Dihydro C31H45NO4 495.334858 NA MeJP NA NA +MJ073558 Cytosine arabinoside; ?-D-Furanose-form, N4-Octadecyl C27H49N3O5 495.367221 NA MeJP NA NA +MJ073559 Rhodopeptin; Rhodopeptin C2 C26H49N5O4 495.378455 NA MeJP NA NA +MJ073560 Rhodopeptin; Rhodopeptin C3 C26H49N5O4 495.378455 NA MeJP NA NA +MJ073561 Lipstatin; Tetrahydro C29H53NO5 495.392373 NA MeJP NA NA +MJ073562 Lycocaroline C32H53N3O 495.418863 NA MeJP NA NA +3430 NA QTSMTDFY 495.69115 MH2+ Inhouse_peptide NA peptide +2601 tachykinin family from white shrimp Penaeus vannam APSGFLGMRG 495.7387 MH2+ Inhouse_peptide NA peptide +7860 peptide isolated from marine rotifier (Brachionus rotundiformis) LLGPGLTNHA 495.76545 MH2+ Inhouse_peptide NA peptide +MJ073563 2,5,5'-Tribromo-7'-methoxy-3,4'-bi-1H-indole C17H11Br3N2O 495.84215 NA MeJP NA NA +MJ073564 3',5,5'-Tribromo-7'-methoxy-3,4'-bi-1H-indole C17H11Br3N2O 495.84215 NA MeJP NA NA +MJ073565 Echinosu C17H10Br2N2O4S 495.872802 NA MeJP NA NA +MetaCyc03712 D-myo-inositol (1,4,5,6)-tetrakisphosphate [inositol (1,4,5,6)-tetrakisphosphate;1D-myo-inositol (1,4,5,6)-tetrakisphosphate;Ins(1,4,5,6)P4;I(1,4,5,6)P4;] C6H12O18P4 495.89741 NA metacyc NA NA +MetaCyc03713 D-myo-inositol (1,2,3,4) tetrakisphosphate [1D-myo-inositol (1,2,3,4) tetrakisphosphate;myo-inositol (1,2,3,4) tetrakisphosphate;Ins(1,2,3,4)P4;I(1,2,3,4)P4;] C6H12O18P4 495.89741 NA metacyc NA NA +MetaCyc03714 D-myo-inositol (1,2,3,6) tetrakisphosphate [1D-myo-inositol (1,2,3,6) tetrakisphosphate;Ins(1,2,3,6)P4;I(1,2,3,6)P4;] C6H12O18P4 495.89741 NA metacyc NA NA +MetaCyc03715 D-myo-inositol (1,2,5,6) tetrakisphosphate [1D-myo-inositol (1,2,5,6) tetrakisphosphate;Ins(1,2,5,6)P4;I(1,2,5,6)P4;] C6H12O18P4 495.89741 NA metacyc NA NA +MetaCyc03716 D-myo-inositol (1,3,4,5)-tetrakisphosphate [Ins(1,3,4,5)P4;inositol (1,3,4,5)-tetrakisphosphate;1D-myo-inositol (1,3,4,5)-tetrakisphosphate;] C6H12O18P4 495.89741 NA metacyc NA NA +MetaCyc03717 D-myo-inositol (1,3,4,6)-tetrakisphosphate [Ins(1,3,4,6)P4;inositol (1,3,4,6)-tetrakisphosphate;1D-myo -inositol 1,3,4,6-tetrakisphosphate;] C6H12O18P4 495.89741 NA metacyc NA NA +MJ073566 Amathamide E; Dihydro C15H19Br3N2O2 495.899665 NA MeJP NA NA +MJ073567 3,20-Dibromo-21-ethyl-2,6-epoxy-1-oxa-2,5,14,17-cycloheneicosatetraen-11-yn-4-one C22H26Br2O3 496.024869 NA MeJP NA NA +MJ073568 3-Ethyl-2,19-dioxabicyclo[16.3.1]docosa-3,6,9,18(22),21-pentaen-12-yn-20-one; 19,20-Dihydro, 2,19-dibromo C22H26Br2O3 496.024869 NA MeJP NA NA +MJ073569 Galactaric acid; 1,4-Lactone, 3,5-bis-O-(3,4,5-trihydroxybenzoyl) C20H16O15 496.048919 NA MeJP NA NA +MJ073570 Eckol; O2-(2,4,6-Trihydroxyphenyl) C24H16O12 496.064175 NA MeJP NA NA +MJ073571 Laccaic acid B C24H16O12 496.064175 NA MeJP NA NA +MJ073572 Flomoxef C15H18F2N6O7S2 496.064644 NA MeJP NA NA +MJ073573 Euxanmodin A C28H16O9 496.079432 NA MeJP NA NA +MJ073574 Euxanmodin B C28H16O9 496.079432 NA MeJP NA NA +MJ073575 Irieol F C20H34Br2O4 496.082384 NA MeJP NA NA +FL5FFCGL0014 Hibiscetin 3-glucoside C21H20O14 496.0853 482-34-8 knapsack NA NA +MJ073576 3,3',4',5,5',7,8-Heptahydroxyflavone; 3-O-?-D-Glucopyranoside C21H20O14 496.085305 NA MeJP NA NA +MJ073577 Quinic acid, 1,4-Bis(3,4,5-trihydroxybenzoyl) C21H20O14 496.085305 NA MeJP NA NA +MJ073578 Quinic acid, 1,5-Bis(3,4,5-trihydroxybenzoyl) C21H20O14 496.085305 NA MeJP NA NA +MJ073579 Quinic acid, 3,4-Bis(3,4,5-trihydroxybenzoyl) C21H20O14 496.085305 NA MeJP NA NA +MJ073580 Quinic acid, 3,5-Bis(3,4,5-trihydroxybenzoyl) C21H20O14 496.085305 NA MeJP NA NA +MJ073581 Quinic acid, 4,5-Bis(3,4,5-trihydroxybenzoyl) C21H20O14 496.085305 NA MeJP NA NA +MJ073582 Kinamycin F; 1,2,4-Tri-Ac C24H20N2O10 496.111794 NA MeJP NA NA +MJ073583 Kinamycin F; 2,3,4-Tri-Ac C24H20N2O10 496.111794 NA MeJP NA NA +MJ073584 Yuccaol A C29H20O8 496.115817 NA MeJP NA NA +MJ073585 3,3',4',5,5',7-Hexahydroxy-6-methylflavanone, 3'-O-?-D-Glucopyranoside C22H24O13 496.12169 NA MeJP NA NA +FL4DAGGM0001 Cedrinoside C22H24O13 496.12169 75423-03-9 knapsack NA NA +C14803 1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene C20H24N4O9S 496.1264 NA KEGG NA NA +C14804 1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene C20H24N4O9S 496.1264 NA KEGG NA NA +C14805 1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene C20H24N4O9S 496.1264 NA KEGG NA NA +C14806 1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene C20H24N4O9S 496.1264 NA KEGG NA NA +PJ002812 CDEM C17H28N4O9S2 496.1298 NA PeJP NA NA +MJ073586 Aegicin C26H24O10 496.136946 NA MeJP NA NA +MJ073587 Cadensin D; 8-Methoxy C26H24O10 496.136946 NA MeJP NA NA +MJ073588 Gyrophoric acid; 2'',4-Di-Me ether C26H24O10 496.136946 NA MeJP NA NA +MJ073589 Gyrophoric acid; 2,4-Di-Me ether C26H24O10 496.136946 NA MeJP NA NA +MJ073590 Gyrophoric acid; 4-Me ether, Me ester C26H24O10 496.136946 NA MeJP NA NA +PJ002813 GSCCQ C16H28N6O8S2 496.141 NA PeJP NA NA +MJ073591 Napyradiomycin A2 C25H30Cl2O6 496.141944 NA MeJP NA NA +MJ073592 1,5,6,9,12-Pentahydroxy-7-protoilluden-14-al, 5-(3-Chloro-2-hydroxy-4-methoxy-6-methylbenzoyl) C24H29ClO9 496.15001 NA MeJP NA NA +MJ073593 18-Chloro-12,20:15,16-diepoxy-4,7,19,20-tetrahydroxy-7,13(16),14-clerodatrien-6-one, 19,20-di-Ac C24H29ClO9 496.15001 NA MeJP NA NA +MJ073594 18-Chloro-15,16-epoxy-4,6,19-trihydroxy-3-oxo-13(16),14-clerodadien-20,12-olide, 7,19-Di-Ac C24H29ClO9 496.15001 NA MeJP NA NA +MJ073595 6-Chloro-2,3-epoxy-8,9,11-trihydroxy-12-oxo-5(16),13-briaradien-18,7-olide; 9,11-Di-Ac C24H29ClO9 496.15001 NA MeJP NA NA +MJ073596 6-Chloro-2,8,9,11,12-pentahydroxy-3,5(16),13-briaratrien-18,7-olide; 9-Epimer, 12-ketone, 2,9-di-Ac C24H29ClO9 496.15001 NA MeJP NA NA +MJ073597 6-Chloro-2,8,9,11-tetrahydroxy-12-oxo-3,5(16),13-briaratrien-18,7-olide; 2,9-Di-Ac C24H29ClO9 496.15001 NA MeJP NA NA +MJ073598 6-Chloro-2,8-epoxy-3,9,11,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 12-Ketone, 9,11-di-Ac C24H29ClO9 496.15001 NA MeJP NA NA +MJ073599 6,7-Dihydro-1,4',5',6,9-pentahydroxy-2',6-dimethyl[2,9'-bianthracene]-8,10'(5H,9'H)-dione C30H24O7 496.152203 NA MeJP NA NA +MJ073600 1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[4-hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] C23H28O12 496.158076 NA MeJP NA NA +MJ073601 1,5-Bis(3,4-dihydroxyphenyl)-4,5-dihydroxy-1-pentanone, 4-O-?-D-Glucopyranoside C23H28O12 496.158076 NA MeJP NA NA +MJ073602 1-(4-Hydroxyphenyl)-1,2,3-propanetriol, 2-O-[4-Hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] C23H28O12 496.158076 NA MeJP NA NA +MJ073603 1-(4-Hydroxyphenyl)-1,2,3-propanetriol, 3'-Methoxy, 2-O-[4-hydroxybenzoyl-(?6)-?-D-glucopyranoside] C23H28O12 496.158076 NA MeJP NA NA +MJ073604 2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2,3-Dihydroxy-2-methylpropanoyl), 13,14-di-Ac C23H28O12 496.158076 NA MeJP NA NA +MJ073605 2-(3,4-Dihydroxyphenyl)-1-propanol, 3'-Me ether, 4'-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C23H28O12 496.158076 NA MeJP NA NA +MJ073606 3,3',4,4',5,7-Hexahydroxyflavan, 4',7-Di-Me ether, 3-O-?-D-glucopyranoside C23H28O12 496.158076 NA MeJP NA NA +MJ073607 Aucubigenin; 10-O-(4-Hydroxy-3-methoxybenzoyl), 1-O-?-D-glucopyranoside C23H28O12 496.158076 NA MeJP NA NA +MJ073608 Byakangelicin, 2'-O-?-D-Glucopyranoside C23H28O12 496.158076 NA MeJP NA NA +MJ073609 Byakangelicin, 3'-O-?-D-Glucopyranoside C23H28O12 496.158076 NA MeJP NA NA +MJ073610 Isobyakangelicin, 3'-O-?-D-Glucopyranoside C23H28O12 496.158076 NA MeJP NA NA +MJ073611 Loganic acid; 7-Epimer, 7-O-(3-hydroxybenzoyl) C23H28O12 496.158076 NA MeJP NA NA +MJ073612 Loganic acid; 8-Epimer, 7-(4-hydroxybenzoyl) C23H28O12 496.158076 NA MeJP NA NA +MJ073613 Musabalbisiane A C23H28O12 496.158076 NA MeJP NA NA +MJ073614 Mussaendoside L C23H28O12 496.158076 NA MeJP NA NA +MJ073615 Mussaenosidic acid; 2'-(4-Hydroxybenzoyl) C23H28O12 496.158076 NA MeJP NA NA +MJ073616 Mussaenosidic acid; 6'-(4-Hydroxybenzoyl) C23H28O12 496.158076 NA MeJP NA NA +MJ073617 Paeoniflorin; 4''-Hydroxy C23H28O12 496.158076 NA MeJP NA NA +MJ073618 Squalestatin H9 C23H28O12 496.158076 NA MeJP NA NA +MJ073619 Tecomoside; 7-(4-Hydroxybenzoyl) C23H28O12 496.158076 NA MeJP NA NA +PJ002814 SSSCN C16H28N6O10S 496.1588 NA PeJP NA NA +PJ002815 PCDY C21H28N4O8S 496.1628 NA PeJP NA NA +PJ002816 SEMM C18H32N4O8S2 496.1662 NA PeJP NA NA +MJ073620 Bisorbibetanone C27H28O9 496.173332 NA MeJP NA NA +MJ073621 Chrysomycin B C27H28O9 496.173332 NA MeJP NA NA +MJ073622 Gilvocarcin E C27H28O9 496.173332 NA MeJP NA NA +MJ073623 Podophyllotoxin; Angeloyl C27H28O9 496.173332 NA MeJP NA NA +MJ073624 Steganol, 7-Epimer, angeloyl C27H28O9 496.173332 NA MeJP NA NA +MJ073625 Steganol, Angeloyl C27H28O9 496.173332 NA MeJP NA NA +PJ002817 CNNF C20H28N6O7S 496.174 NA PeJP NA NA +PJ002818 GGGGCF C20H28N6O7S 496.1741 NA PeJP NA NA +MJ073626 Staurosporine; 4'-N-Hydroxy, 4'-N-de-Me, 4'-N-formyl C28H24N4O5 496.174669 NA MeJP NA NA +MJ073627 3,11,14-Trihydroxy-12-oxobufa-20,22-dienolide, 3-Sulfate C24H32O9S 496.176703 NA MeJP NA NA +PJ002819 GSCCK C17H32N6O7S2 496.1774 NA PeJP NA NA +MJ073628 4-[4-[4-(3-Oxo-1,2-benzisothiazol-2(3H)-yl)butyl]-1-piperazinyl]-1H-indole-2-carboxylic acid; S,S-Dioxide, Me ester C25H28N4O5S 496.17804 NA MeJP NA NA +PJ002820 GEEY C21H28N4O10 496.1806 NA PeJP NA NA +PJ002821 PCMF C22H32N4O5S2 496.1814 NA PeJP NA NA +MJ073629 Neomangicol A; Dechloro, 23-bromo C25H37BrO5 496.182436 NA MeJP NA NA +MJ073630 [[3,3'-[[2-[2-(4-Morpholinyl)ethyl]-1,3-propanediyl]diimino]bis[3-methyl-2-butanone]dioximato](3-)-N,N',N'',N''']oxotechnetium C19H36N5O4Tc 496.183945 NA MeJP NA NA +MJ073631 Pumiloside; 7-Deoxy C26H28N2O8 496.184565 NA MeJP NA NA +C16725 Deoxypumiloside C26H28N2O8 496.1846 NA KEGG NA NA +PJ002822 CLMM C19H36N4O5S3 496.1848 NA PeJP NA NA +PJ002823 TCHH C19H28N8O6S 496.1853 NA PeJP NA NA +MJ073632 Carsatrin C25H26F2N6OS 496.185686 NA MeJP NA NA +MJ073633 Punaglandin 3 C25H33ClO8 496.186395 NA MeJP NA NA +PJ002824 SNNY C20H28N6O9 496.1918 NA PeJP NA NA +MJ073634 1,4,5,8,10,13-Hexahydroxy-7(11)-muurolen-12,6-olide, 13-Me ether, 8-(2-methylpropenoyl), 5,10-di-Ac C24H32O11 496.194461 NA MeJP NA NA +MJ073635 1-(2,3,4-Trihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',4,4',5'-Tetra-Me ether, 2-O-?-D-glucopyranoside C24H32O11 496.194461 NA MeJP NA NA +MJ073636 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3-Me ether, 4-O-?-D-xylopyranoside C24H32O11 496.194461 NA MeJP NA NA +PJ002825 EYW C25H28N4O7 496.1958 NA PeJP NA NA +PJ002826 SPMY C22H32N4O7S 496.1992 NA PeJP NA NA +MJ073637 1(10?19)-Abeo-7-acetoxyobacun-9(11)-ene; 7?-form C28H32O8 496.209718 NA MeJP NA NA +MJ073638 Drummondin D C28H32O8 496.209718 NA MeJP NA NA +MJ073639 Griffonianone A C28H32O8 496.209718 NA MeJP NA NA +MJ073640 Isodrummondin D C28H32O8 496.209718 NA MeJP NA NA +MJ073641 Territrem C; 3'-Demethoxy, 4'-Me ether C28H32O8 496.209718 NA MeJP NA NA +MJ073642 Trichodimerol C28H32O8 496.209718 NA MeJP NA NA +MJ073643 Citreoindole C29H28N4O4 496.211055 NA MeJP NA NA +MJ073644 Staurosporine; 10-Methoxy C29H28N4O4 496.211055 NA MeJP NA NA +MJ073645 Staurosporine; 5'?-Hydroxy, N-Me C29H28N4O4 496.211055 NA MeJP NA NA +MJ073646 Cerberidol; 3,10-Di-O-?-D-allopyranoside C21H36O13 496.215591 NA MeJP NA NA +PJ002827 SVEY C22H32N4O9 496.2169 NA PeJP NA NA +PJ002828 GHHF C23H28N8O5 496.2183 NA PeJP NA NA +MJ073647 Antibiotic EI 1625-2 C27H32N2O7 496.220951 NA MeJP NA NA +MJ073648 Antibiotic X 14885A C27H32N2O7 496.220951 NA MeJP NA NA +MJ073649 Amcinafide C29H33FO6 496.226116 NA MeJP NA NA +MJ073650 Betamethasone; 17-Benzoyl C29H33FO6 496.226116 NA MeJP NA NA +MJ073651 Flumoxonide C26H34F2O7 496.227259 NA MeJP NA NA +C08760 Glaucarubin C25H36O10 496.2308 NA KEGG NA NA +MJ073652 4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro, 4-O-(2,6-di-O-acetyl-?-D-glucopyranoside) C25H36O10 496.230847 NA MeJP NA NA +MJ073653 Glaucarubol; 15-(2-Hydroxy-2-methylbutanoyl) C25H36O10 496.230847 NA MeJP NA NA +PJ002829 APFY C26H32N4O6 496.2322 NA PeJP NA NA +PJ002830 ALMY C23H36N4O6S 496.2356 NA PeJP NA NA +MJ073654 Asterriquinol D; 1'-(1,1-Dimethyl-2-propenyl), di-Me ether C31H32N2O4 496.236207 NA MeJP NA NA +MJ073655 Asterriquinol D; 7'-(3-Methyl-2-butenyl), di-Me ether C31H32N2O4 496.236207 NA MeJP NA NA +MJ073656 Petromurin A; 5'-Deoxy C31H32N2O4 496.236207 NA MeJP NA NA +MJ073657 Gentamicin A4 C19H36N4O11 496.238058 NA MeJP NA NA +MJ073658 Ribostamycin; N3-Ac C19H36N4O11 496.238058 NA MeJP NA NA +C03009 N3'-Acetylgentamicin C19H36N4O11 496.2381 NA KEGG NA NA +PJ002831 VNQH C20H32N8O7 496.2394 NA PeJP NA NA +PJ002832 PPHF C25H32N6O5 496.2434 NA PeJP NA NA +MJ073659 2,3-Dihydroxy-6-oxo-24-nor-1,3,5(10),7-friedelatetraene-23,29-dioic acid C29H36O7 496.246103 NA MeJP NA NA +MJ073660 3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 14-Ketone, 3-benzoyl, 15-Ac C29H36O7 496.246103 NA MeJP NA NA +MJ073661 3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, ?12-Isomer, 14-ketone, 3-benzoyl, 15-Ac C29H36O7 496.246103 NA MeJP NA NA +MJ073662 4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 13-Ketone, 5-cinnamoyl C29H36O7 496.246103 NA MeJP NA NA +MJ073663 6,19-Dihydroxy-3-oxo-5(10),13-halimadien-15,16-olide; 6?-form, 19-[3-(4-Hydroxyphenyl)propanoyl] C29H36O7 496.246103 NA MeJP NA NA +MJ073664 Macrocarpin B; 3-Me ether C29H36O7 496.246103 NA MeJP NA NA +MJ073665 Toonacilin; 12-Deacetoxy C29H36O7 496.246103 NA MeJP NA NA +MJ073666 Turraflorin B C29H36O7 496.246103 NA MeJP NA NA +PJ002833 PLMH C22H36N6O5S 496.2468 NA PeJP NA NA +MJ073667 Strychnos johnsonii Alkaloid C30H32N4O3 496.24744 NA MeJP NA NA +MJ073668 Antibiotic S 15-1 C18H36N6O10 496.249291 NA MeJP NA NA +PJ002834 GQHR C19H32N10O6 496.2507 NA PeJP NA NA +MJ073669 2,6-Dimethyl-7-octene-2,3,6-triol; 6-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] C22H40O12 496.251976 NA MeJP NA NA +PJ002835 TTLY C23H36N4O8 496.2533 NA PeJP NA NA +MJ073670 Cytosaminomycin C C23H36N4O8 496.253314 NA MeJP NA NA +MJ073671 Cytosaminomycin D C23H36N4O8 496.253314 NA MeJP NA NA +MJ073672 Sarcodictyin A C28H36N2O6 496.257336 NA MeJP NA NA +EUR152 LeukotrieneD4(LTD4) C25H40N2O6S 496.2607 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR152 LeukotrieneD4(LTD4) C25H40N2O6S 496.2607 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR152 LeukotrieneD4(LTD4) C25H40N2O6S 496.2607 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR152 LeukotrieneD4(LTD4) C25H40N2O6S 496.2607 Wishlist Inhousejuil11 NA NA +C05951 Leukotriene D4 C25H40N2O6S 496.2607 NA KEGG NA NA +MJ073673 Leukotriene D4 C25H40N2O6S 496.260707 NA MeJP NA NA +EUR152 LeukotrieneD4(LTD4) C25H40N2O6S 496.26071 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR152 LeukotrieneD4(LTD4) C25H40N2O6S 496.26071 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR152 LeukotrieneD4(LTD4) C25H40N2O6S 496.26071 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR152 LeukotrieneD4(LTD4) C25H40N2O6S 496.26071 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB03080 Leukotriene D4 C25H40N2O6S 496.26071 http://www.hmdb.ca/metabolites/HMDB03080 HMDB NA NA +EUR152 LeukotrieneD4(LTD4) C25H40N2O6S 496.26071 Wishlist HMDB NA NA +EUR152 LeukotrieneD4(LTD4) C25H40N2O6S 496.26071 Wishlist Inhouse_PFEM NA NA +EUR152 LeukotrieneD4(LTD4) C25H40N2O6S 496.26071 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR152 LeukotrieneD4(LTD4) C25H40N2O6S 496.26071 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB03080 Leukotriene D4 C25H40N2O6S 496.26071 HMDB03080 PFEM_hmdb_metabocards_official NA NA +HMDB03080 Leukotriene D4 C25H40N2O6S 496.260712 NA HMDB2010 NA NA +3163 entherostatin APGPR 496.263 celiac toxic Inhouse_peptide NA peptide +PJ002836 VLEH C22H36N6O7 496.2646 NA PeJP NA NA +MJ073674 1,3,6,7,11,17-Hexahydroxy-15-kauranone, 17-Et ether, 3,6-di-Ac C26H40O9 496.267232 NA MeJP NA NA +MJ073675 11,15-Dihydroxy-16-kauren-19-oic acid, ?-D-Glucopyranosyl ester C26H40O9 496.267232 NA MeJP NA NA +MJ073676 11-Hydroxy-15-oxo-19-kauranoic acid, O-?-D-Glucopyranoside C26H40O9 496.267232 NA MeJP NA NA +MJ073677 2,19-Dihydroxy-8(17),13-labdadien-16,15-olide, 19-O-?-D-Glucopyranoside C26H40O9 496.267232 NA MeJP NA NA +MJ073678 2,3,19-Trihydroxy-8,15-isopimaradien-7-one, 19-O-?-D-Altropyranoside C26H40O9 496.267232 NA MeJP NA NA +MJ073679 3,16-Dihydroxy-10(20)-leucothen-5-one, 3-O-?-D-Glucopyranoside C26H40O9 496.267232 NA MeJP NA NA +MJ073680 3,19-Dihydroxy-8(17),13-labdadien-16,15-olide, 19-O-?-D-Glucopyranoside C26H40O9 496.267232 NA MeJP NA NA +MJ073681 3,6,16-Trihydroxy-10(20)-leucothen-5-one, 16-O-?-D-Glucopyranoside C26H40O9 496.267232 NA MeJP NA NA +MJ073682 3,6,16-Trihydroxy-10(20)-leucothen-5-one, 3-O-?-D-Glucopyranoside C26H40O9 496.267232 NA MeJP NA NA +MJ073683 6,13:9,12-Diepoxy-8(19)-eunicellene-2,3,4,9-tetrol, 8?,19-Dihydro, 2,3,4-tri-Ac C26H40O9 496.267232 NA MeJP NA NA +MJ073684 6,14,16-Trihydroxy-7-isopimaren-19-oic acid, (19?6)-Lactone, 16-O-?-D-mannopyranoside C26H40O9 496.267232 NA MeJP NA NA +MJ073685 6,9,16-Trihydroxy-7-isopimaren-19-oic acid, 19?6-Lactone, 16-O-?-D-mannopyranoside C26H40O9 496.267232 NA MeJP NA NA +MJ073686 8,13-Epoxy-14-labdene-1,6,7,11,18-pentol, 1,6,11-Tri-Ac C26H40O9 496.267232 NA MeJP NA NA +MJ073687 9,15-Dihydroxy-16-kauren-19-oic acid, ?-D-Glucopyranosyl ester C26H40O9 496.267232 NA MeJP NA NA +MJ073688 Hyalic acid; 16?,17-Dihydro, ?-D-glucopyranosyl ester C26H40O9 496.267232 NA MeJP NA NA +PJ002837 ALFF C27H36N4O5 496.2686 NA PeJP NA NA +MJ073689 Chaetoglobosin J; 19-Deoxy C32H36N2O3 496.272593 NA MeJP NA NA +C15649 Fexaramine C32H36N2O3 496.2726 NA KEGG NA NA +C17703 Antibiotic G-418 C20H40N4O10 496.2744 NA KEGG NA NA +MJ073690 Gentamicin B1 C20H40N4O10 496.274443 NA MeJP NA NA +MJ073691 Gentamicin G 418 C20H40N4O10 496.274443 NA MeJP NA NA +HMDB06117 APGPR Enterostatin C21H36N8O6 496.275787 NA HMDB2010 NA NA +HMDB06117 APGPR Enterostatin C21H36N8O6 496.27579 http://www.hmdb.ca/metabolites/HMDB06117 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06117 APGPR Enterostatin C21H36N8O6 496.27579 http://www.hmdb.ca/metabolites/HMDB06117 HMDB NA NA +HMDB06117 APGPR Enterostatin C21H36N8O6 496.27579 NA ;SYN:L-N(sup 2)-(Phenylacetyl)glutamine; N(2)-(phenylacetyl)-L-glutamine; Phenylacetyl-l-glutamine; Phenylacetylglutamine; alpha-N-Phenylacetyl-L-glutamineH2Blood; Urine Inhouse_peptide NA peptide +HMDB06117 APGPR Enterostatin C21H36N8O6 496.27579 http://www.hmdb.ca/metabolites/HMDB06117 PFEM_hmdb_metabocards_blood NA blood +HMDB06117 APGPR Enterostatin C21H36N8O6 496.27579 HMDB06117 PFEM_hmdb_metabocards_official NA NA +PJ002838 PPQR C21H36N8O6 496.2758 NA PeJP NA NA +MJ073692 2,3,23-Trihydroxy-24-nor-6-oxo-1,3,5(10),7-friedelatetraen-29-oic acid; 3-Me ether C30H40O6 496.282489 NA MeJP NA NA +MJ073693 5,6-Epoxy-16-hydroxy-1-oxowitha-2,24-dienolide, Ac C30H40O6 496.282489 NA MeJP NA NA +MJ073694 Absinthin C30H40O6 496.282489 NA MeJP NA NA +MJ073695 Anabsin; 3-Deoxy C30H40O6 496.282489 NA MeJP NA NA +MJ073696 Ardisenone C30H40O6 496.282489 NA MeJP NA NA +MJ073697 Arrivacin A; 2-Deoxy, 2,3-didehydro C30H40O6 496.282489 NA MeJP NA NA +MJ073698 Artselenoide C30H40O6 496.282489 NA MeJP NA NA +MJ073699 Azadirone; 6?-Acetoxy, 1,2-dihydro C30H40O6 496.282489 NA MeJP NA NA +MJ073700 Ingenol; 3-(2,4,6-Decatrienoyl) C30H40O6 496.282489 NA MeJP NA NA +MJ073701 Macrocarpin A C30H40O6 496.282489 NA MeJP NA NA +MJ073702 Mikagoyanolide C30H40O6 496.282489 NA MeJP NA NA +MJ073703 Pregn-5-ene-3,12,14,17,20-pentol, 12-Cinnamoyl C30H40O6 496.282489 NA MeJP NA NA +MJ073704 Pregn-5-ene-3,8,12,14,20-pentol, 12-Cinnamoyl C30H40O6 496.282489 NA MeJP NA NA +MJ073705 Pregn-5-ene-3,8,12,14,20-pentol, 20-Cinnamoyl C30H40O6 496.282489 NA MeJP NA NA +MJ073706 Ripostatin B C30H40O6 496.282489 NA MeJP NA NA +MJ073707 Withanolide D; 18-Acetoxy, 4-deoxy, 5,6-deepoxy, 5,6-didehydro C30H40O6 496.282489 NA MeJP NA NA +C09286 Absinthin C30H40O6 496.2825 NA KEGG NA NA +MJ073708 Ceridimine C31H36N4O2 496.283826 NA MeJP NA NA +MJ073709 Cinchophyllamine C31H36N4O2 496.283826 NA MeJP NA NA +MJ073710 Isocinchophyllamine C31H36N4O2 496.283826 NA MeJP NA NA +MJ073711 Usambarensine; 6',10-Dimethoxy, 1'S,2,3,4-tetrahydro C31H36N4O2 496.283826 NA MeJP NA NA +MJ073712 Usambarensine; 6'-Methoxy, 10-hydroxy, 1'S,2,3,4-tetrahydro, N2'-Me C31H36N4O2 496.283826 NA MeJP NA NA +MJ073713 3,26-Dihydroxycholesta-7,22-dien-6-one, 22,23-Dihydro, 26-sulfate C27H44O6S 496.285859 NA MeJP NA NA +MJ073714 3-Hydroxycholesta-5,24-dien-19-oic acid, 24,25-Dihydro, 3-sulfate C27H44O6S 496.285859 NA MeJP NA NA +MJ073715 Cholesta-9(11),24-diene-3,6,20-triol, 3-O-Sulfate C27H44O6S 496.285859 NA MeJP NA NA +PJ002839 GKHR C20H36N10O5 496.287 NA PeJP NA NA +MJ073716 6-Bromo-5,9,24-octacosatrienoic acid C28H49BrO2 496.291593 NA MeJP NA NA +PJ002840 GPPVK C23H40N6O6 496.301 NA PeJP NA NA +C08834 Polypodine B C27H44O8 496.3036 NA KEGG NA NA +C16500 20,26-Dihydroxyecdysone C27H44O8 496.3036 NA KEGG NA NA +C16501 Farnesal C27H44O8 496.3036 NA KEGG NA NA +MJ073717 1,2,3,14,20,22,25-Heptahydroxycholest-7-en-6-one C27H44O8 496.303618 NA MeJP NA NA +MJ073718 2,3,11,14,20,22,25-Heptahydroxycholest-7-en-6-one C27H44O8 496.303618 NA MeJP NA NA +MJ073719 2,3,14,16,20,22,25-Heptahydroxycholest-7-en-6-one C27H44O8 496.303618 NA MeJP NA NA +MJ073720 2,3,14,19,20,22,25-Heptahydroxycholest-7-en-6-one C27H44O8 496.303618 NA MeJP NA NA +MJ073721 2,3,14,20,22,23,25-Heptahydroxycholest-7-en-6-one C27H44O8 496.303618 NA MeJP NA NA +MJ073722 2,3,14,20,22,24,25-Heptahydroxycholest-7-en-6-one C27H44O8 496.303618 NA MeJP NA NA +MJ073723 2,3,14,20,22,25,26-Heptahydroxycholest-7-en-6-one C27H44O8 496.303618 NA MeJP NA NA +MJ073724 2,3,5,11,14,20,22-Heptahydroxycholest-7-en-6-one C27H44O8 496.303618 NA MeJP NA NA +MJ073725 2,3,5,14,20,22,24-Heptahydroxycholest-7-en-6-one C27H44O8 496.303618 NA MeJP NA NA +MJ073726 2,3,5,14,20,22,25-Heptahydroxycholest-7-en-6-one C27H44O8 496.303618 NA MeJP NA NA +MJ073727 2,3,5,14,20,22,26-Heptahydroxycholest-7-en-6-one C27H44O8 496.303618 NA MeJP NA NA +MJ073728 Pregn-5-ene-3,16,20-triol, 3-O-?-D-Glucopyranoside C27H44O8 496.303618 NA MeJP NA NA +MJ073729 Spirostane-1,2,3,4,5,6-hexol C27H44O8 496.303618 NA MeJP NA NA +HMDB10318 Pregnanediol-3-glucuronide C27H44O8 496.303619 NA HMDB2010 NA NA +HMDB10352 3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide C27H44O8 496.303619 NA HMDB2010 NA NA +HMDB05772 Postin C22H40N8O5 496.31216 http://www.hmdb.ca/metabolites/HMDB05772 HMDB NA NA +HMDB05772 Postin C22H40N8O5 496.31216 HMDB05772 PFEM_hmdb_metabocards_official NA NA +HMDB05772 Postin C22H40N8O5 496.312164 NA HMDB2010 NA NA +MJ073730 Postin C22H40N8O5 496.312166 NA MeJP NA NA +PJ002841 PPKR C22H40N8O5 496.3122 NA PeJP NA NA +MJ073731 16-Hydroxy-3-oxofusida-1,17(20),24-trien-21-oic acid, 16-Ac C31H44O5 496.318874 NA MeJP NA NA +MJ073732 7-Hydroxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid, 7-Ketone, Et ester C31H44O5 496.318874 NA MeJP NA NA +MJ073733 Coronalolide; Me ester C31H44O5 496.318874 NA MeJP NA NA +MJ073734 Prostatin C25H44N4O6 496.326085 NA MeJP NA NA +CJpos0811 Lysophosphatidylcholine LysoPC(16:0) [(M+H)]+ (13C) C2313CH51NO7P 496.335275 C18rt(min)=11.67 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0811 Lysophosphatidylcholine LysoPC(16:0) [(M+H)]+ (13C) C2313CH51NO7P 496.335275 C18rt(min)=11.67 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +C11050 25-Hydroxy-24-epi-brassinolide C28H48O7 496.34 NA KEGG NA NA +C11051 26-Hydroxy-24-epi-brassinolide C28H48O7 496.34 NA KEGG NA NA +MJ073735 2,3,4,6,11,19-Hexahydroxy-9,11-secoergost-22-en-9-one C28H48O7 496.340003 NA MeJP NA NA +MJ073736 Ergost-22-ene-3,4,6,8,15,16,26-heptol C28H48O7 496.340003 NA MeJP NA NA +MJ073737 Ergost-24(28)-ene-3,4,6,8,15,16,26-heptol C28H48O7 496.340003 NA MeJP NA NA +C04102 1-Palmitoylglycerophosphocholine C24H51NO7P 496.3403 NA KEGG NA NA +MJ073738 3,13-Dihydroxy-11-ursen-28-oic acid, 28?13 Lactone, 3-Ac C32H48O4 496.35526 NA MeJP NA NA +MJ073739 3,22-Dihydroxy-13,15,17(20),24-isomalabaricatetraen-12-one, 3-Ac C32H48O4 496.35526 NA MeJP NA NA +MJ073740 3,23-Dihydroxy-20(30)-lupen-29-al, 3-Ketone, Ac C32H48O4 496.35526 NA MeJP NA NA +MJ073741 3-Hydroxy-18,20-ursadien-28-oic acid; 3?-form, Ac C32H48O4 496.35526 NA MeJP NA NA +MJ073742 3-Hydroxycycloartan-26,23-olide, 24,25-Didehydro, Ac C32H48O4 496.35526 NA MeJP NA NA +MJ073743 Anguinomycin D C32H48O4 496.35526 NA MeJP NA NA +MJ073744 Echinodol; 3-Ketone C32H48O4 496.35526 NA MeJP NA NA +MJ073745 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 3,17-Diheptanoyl C32H48O4 496.35526 NA MeJP NA NA +MJ073746 Mokupalide; 30-Acetoxy C32H48O4 496.35526 NA MeJP NA NA +MJ073747 Prieurone C32H48O4 496.35526 NA MeJP NA NA +MJ073748 17,29-Tritriacontadiene-2,4,32-triyne-1,6,31-triol C33H52O3 496.391645 NA MeJP NA NA +MJ073749 18,29-Tritriacontadiene-2,4,32-triyne-1,6,31-triol C33H52O3 496.391645 NA MeJP NA NA +MJ073750 31-Hydroxy-4,15,29-tritriacontatriene-2,32-diynoic acid C33H52O3 496.391645 NA MeJP NA NA +MJ073751 31-Hydroxy-4,18,29-tritriacontatriene-2,32-diynoic acid C33H52O3 496.391645 NA MeJP NA NA +MJ073752 Cyclovirobuxeine I; N3,N3,N20-Tri-Me, O-(2-methyl-2E-butenoyl) C32H52N2O2 496.402878 NA MeJP NA NA +MJ073753 12-Ursen-3-ol, Butanoyl C34H56O2 496.428031 NA MeJP NA NA +MJ073754 18-Oleanen-3-ol, O-Butanoyl C34H56O2 496.428031 NA MeJP NA NA +MJ073755 24,24-Dimethylcycloartan-3-ol, 25,26-Didehydro, Ac C34H56O2 496.428031 NA MeJP NA NA +MJ073756 24,25-Dimethyllanosta-9(11),23-dien-3-ol, Ac C34H56O2 496.428031 NA MeJP NA NA +MJ073757 24-Ethylcycloart-25-en-3-ol, Ac C34H56O2 496.428031 NA MeJP NA NA +MJ073758 3-Methyl-34,35-dinor-6,11-bacteriohopadiene-32,33-diol C34H56O2 496.428031 NA MeJP NA NA +MJ073759 Tryptamine; Nb-Tricosanoyl C33H56N2O 496.439264 NA MeJP NA NA +MJ073760 Tetradecanoic acid; 2,3-Dihydroxyheptadecenyl ester C31H60O4 496.44916 NA MeJP NA NA +MJ073761 Skimmiwallichin C35H60O 496.464416 NA MeJP NA NA +MJ073762 Budmunchiamine C; 6'-Hydroxy C29H60N4O2 496.471627 NA MeJP NA NA +MJ073763 Budmunchiamine L1; 16'-Hydroxy C29H60N4O2 496.471627 NA MeJP NA NA +C16793 Corynomycolic acid C32H64O3 496.4855 NA KEGG NA NA +MJ073764 1-Methoxy-2-(methoxymethyl)-12-methylnonacosane C33H68O2 496.521931 NA MeJP NA NA +MJ073765 6,8-Tritriacontanediol C33H68O2 496.521931 NA MeJP NA NA +MJ073766 8,10-Tritriacontanediol C33H68O2 496.521931 NA MeJP NA NA +MetaCyc03718 2'-deoxy-5-hydroxymethylcytidine-5'-triphosphate [] C10H18N3O14P3 497.000162 NA metacyc NA NA +C11039 2'-Deoxy-5-hydroxymethylcytidine-5'-triphosphate C10H18N3O14P3 497.0002 NA KEGG NA NA +MetaCyc03719 amino-hydroxy-hydroxypropyl-dihydropteridin [2-amino-4-hydroxy-6-trihydroxypropyldihydropteridin-P3;] C9H18N5O13P3 497.011395 NA metacyc NA NA +MJ073767 Antibiotic M 101 C15H19N3O12S2 497.041014 NA MeJP NA NA +MJ073768 3-Hydroxy-6-(methylthio)hexyl glucosinolate; S,S-Dioxide C14H27NO12S3 497.069537 NA MeJP NA NA +HMDB06866 2-Methyl-1-hydroxypropyl-ThPP C16H27N4O8P2S 497.102478 NA HMDB2010 NA NA +HMDB06866 2-Methyl-1-hydroxypropyl-ThPP C16H27N4O8P2S 497.10248 http://www.hmdb.ca/metabolites/HMDB06866 HMDB NA NA +HMDB06866 2-Methyl-1-hydroxypropyl-ThPP C16H27N4O8P2S 497.10248 HMDB06866 PFEM_hmdb_metabocards_official NA NA +C15976 2-Methyl-1-hydroxypropyl-ThPP C16H27N4O8P2S 497.1025 NA KEGG NA NA +C15977 [Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] C12H22NO2S2R 497.1025 NA KEGG NA NA +PJ002842 GSCCE C16H27N5O9S2 497.125 NA PeJP NA NA +MJ073769 Indochrome A C20H23N3O12 497.128173 NA MeJP NA NA +PJ002843 SCCW C20H27N5O6S2 497.1403 NA PeJP NA NA +PJ002844 SSSCD C16H27N5O11S 497.1428 NA PeJP NA NA +PJ002845 CNMM C17H31N5O6S3 497.1437 NA PeJP NA NA +PJ002846 CNDF C20H27N5O8S 497.1581 NA PeJP NA NA +PJ002847 GSTCM C17H31N5O8S2 497.1614 NA PeJP NA NA +MJ073770 3-[[1-(4,5-Dihydro-2-thiazolyl)-3-azetidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (2,2-Dimethyl-1-oxopropoxy)methyl ester C22H31N3O6S2 497.165427 NA MeJP NA NA +MJ073771 Akrobomycin; 13-Hydroxy C26H27NO9 497.168581 NA MeJP NA NA +MJ073772 Carminomycin I; 11-Deoxy C26H27NO9 497.168581 NA MeJP NA NA +MJ073773 Idarubicin C26H27NO9 497.168581 NA MeJP NA NA +MJ073774 Stephavanine C26H27NO9 497.168581 NA MeJP NA NA +PJ002848 SNDY C20H27N5O10 497.1758 NA PeJP NA NA +PJ002849 SSSSM C17H31N5O10S 497.1792 NA PeJP NA NA +PJ002850 GQMY C21H31N5O7S 497.1944 NA PeJP NA NA +PJ002851 NNNH C18H27N9O8 497.1983 NA PeJP NA NA +MJ073775 8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-(3,4,5-trimethoxycinnamoyl), 6-O-benzoyl C27H31NO8 497.204966 NA MeJP NA NA +MJ073776 Daunomycin; 11-Deoxy, 13-deoxo C27H31NO8 497.204966 NA MeJP NA NA +PJ002852 GCRY C20H31N7O6S 497.2057 NA PeJP NA NA +C12112 Validamycin A C20H35NO13 497.2108 NA KEGG NA NA +MJ073777 Validamycin D C20H35NO13 497.21084 NA MeJP NA NA +MJ073778 Validoxylamine B; 6-Deoxy, 4-O-?-D-glucopyranoside C20H35NO13 497.21084 NA MeJP NA NA +MJ073779 Viridotriose B C20H35NO13 497.21084 NA MeJP NA NA +MetaCyc03720 validamycin A [] C20H35N1O13 497.21084 NA metacyc NA NA +MetaCyc03721 validamycin [] C20H35N1O13 497.21084 NA metacyc NA NA +PJ002853 STQY C21H31N5O9 497.2122 NA PeJP NA NA +MJ073780 Lahadinine B C26H31N3O7 497.2162 NA MeJP NA NA +MJ073781 2-(?-Hydroxybenzyl)-3,6-tropanediol; O6-Benzoyl, O3-cinnamoyl C31H31NO5 497.220223 NA MeJP NA NA +MJ073782 Dexamethasone; 21-(4-Pyridinecarboxylate) C28H32FNO6 497.221365 NA MeJP NA NA +PJ002854 VNEH C20H31N7O8 497.2234 NA PeJP NA NA +PJ002855 GGGGGPP C20H31N7O8 497.2235 NA PeJP NA NA +PJ002856 GQFF C25H31N5O6 497.2275 NA PeJP NA NA +PJ002857 GKMY C22H35N5O6S 497.2308 NA PeJP NA NA +PJ002858 GEHR C19H31N9O7 497.2347 NA PeJP NA NA +8069 synthetic peptide RHW 497.238 antioxidative Inhouse_peptide NA peptide +8074 synthetic peptide RWH 497.238 ACE inhibitor Inhouse_peptide NA peptide +PJ002859 GVHW C24H31N7O5 497.2387 NA PeJP NA NA +MJ073783 N-[4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-carboxamide C29H31N5O3 497.242689 NA MeJP NA NA +PJ002860 STKY C22H35N5O8 497.2486 NA PeJP NA NA +PJ002861 HRW C23H31N9O4 497.2499 NA PeJP NA NA +EUR850 Lyso PE 18:3 [M+Na]+ C23H42NO7P 497.251838 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR850 Lyso PE 18:3 [M+Na]+ C23H42NO7P 497.251838 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR850 Lyso PE 18:3 [M+Na]+ C23H42NO7P 497.251838 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR850 Lyso PE 18:3 [M+Na]+ C23H42NO7P 497.251838 masses lipides attendues Inhousejuil11 NA NA +MJ073784 N1,N10-Dicoumaroylspermidine; 3',3''-Dimethoxy C27H35N3O6 497.252585 NA MeJP NA NA +MJ073785 N5,N10-Diferuloylspermidine C27H35N3O6 497.252585 NA MeJP NA NA +MJ073786 Antibiotic K 144g C20H39N3O11 497.258459 NA MeJP NA NA +PJ002862 PPER C21H35N7O7 497.2598 NA PeJP NA NA +MJ073787 Potanisine C C25H39NO9 497.262481 NA MeJP NA NA +PJ002863 PPVW C26H35N5O5 497.2638 NA PeJP NA NA +MJ073788 Kanamycin B; 3''-N-Me C19H39N5O10 497.269692 NA MeJP NA NA +PJ002864 SVHR C20H35N9O6 497.2711 NA PeJP NA NA +EUR832 Lyso PE 16:1 [M+FA-H]- C21H42NO7P 497.274772 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR832 Lyso PE 16:1 [M+FA-H]- C21H42NO7P 497.274772 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR832 Lyso PE 16:1 [M+FA-H]- C21H42NO7P 497.274772 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR832 Lyso PE 16:1 [M+FA-H]- C21H42NO7P 497.274772 masses lipides attendues Inhousejuil11 NA NA +MJ073789 Aconosine; O14-Benzoyl, 13-hydroxy C29H39NO6 497.277737 NA MeJP NA NA +MJ073790 Aconosine; O14-Benzoyl, 9-hydroxy C29H39NO6 497.277737 NA MeJP NA NA +MJ073791 Lassiocarpine C29H39NO6 497.277737 NA MeJP NA NA +JH238 Taurocholic acid [M+H-H20]+ NA 497.2796 25.3 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH238 Taurocholic acid [M+H-H20]+ NA 497.2796 25.3 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH238 Taurocholic acid [M+H-H20]+ NA 497.2796 25.3 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH238 Taurocholic acid [M+H-H20]+ NA 497.2796 25.3 Inhousejuil11 NA NA +MJ073792 3-Hydroxy-7-oxocholan-24-oic acid, Taurine amide C26H43NO6S 497.281108 NA MeJP NA NA +PJ002865 APPTL C23H39N5O7 497.285 NA PeJP NA NA +MJ073793 Antibiotic WA 3854; Antibiotic WA 3854A C28H39N3O5 497.288971 NA MeJP NA NA +PJ002866 TLKH C22H39N7O6 497.2962 NA PeJP NA NA +PJ002867 GPVLL C24H43N5O6 497.3214 NA PeJP NA NA +PJ002868 PLLR C23H43N7O5 497.3326 NA PeJP NA NA +MJ073794 Leptinidine; Di-O-Ac C31H47NO4 497.350508 NA MeJP NA NA +MJ073795 Veralkamine; O,O-Di-Ac C31H47NO4 497.350508 NA MeJP NA NA +MJ073796 Antibiotic Sch 40873 C24H51N9O2 497.416571 NA MeJP NA NA +MJ073797 2',3,4',5-Tetrabromo-2-hydroxydiphenyl ether C12H6Br4O2 497.71013 NA MeJP NA NA +MJ073798 2',3,4,4'-Tetrabromo-2-hydroxydiphenyl ether C12H6Br4O2 497.71013 NA MeJP NA NA +MJ073799 2,2',3,4,5-Pentabromo-6-hydroxydiphenyl ether; 3-Debromo C12H6Br4O2 497.71013 NA MeJP NA NA +MJ073800 2,2',3,4,5-Pentabromo-6-hydroxydiphenyl ether; 4-Debromo C12H6Br4O2 497.71013 NA MeJP NA NA +MJ073801 2,2',3,4,5-Pentabromo-6-hydroxydiphenyl ether; 5-Debromo C12H6Br4O2 497.71013 NA MeJP NA NA +MJ073802 2,2',4,4'-Tetrabromo-6-hydroxydiphenyl ether C12H6Br4O2 497.71013 NA MeJP NA NA +8263 f(42-49) of bovine kappa casein YYQQKPVA 497.7465 MH2+ Inhouse_peptide NA peptide +MJ073803 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane C8BrF17 497.891192 NA MeJP NA NA +MJ073804 Eckol; 4'-Iodo C18H11IO9 497.944775 NA MeJP NA NA +MJ073805 Topsentin C C21H16Br2N4O 497.969086 NA MeJP NA NA +MJ073806 Phenaphthazine C16H10N4O11S2 497.978748 NA MeJP NA NA +MJ073807 2,5-Diaminopyrimidine nucleoside triphosphate C9H17N4O14P3 497.99541 NA MeJP NA NA +FL5FAAGSS002 Kaempferol 3-sulfate-7-alpha-arabinopyranoside;7-(alpha-L-Arabinopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 3-(hydrogen sulfate) C20H18O13S 498.04681 396707-55-4 knapsack NA NA +MJ073808 3,3'-Diethyl-2,2',5,5',7,7',8,8'-octahydroxy-6,6'-bi-1,4-naphthoquinone C24H18O12 498.079826 NA MeJP NA NA +MJ073809 6,6'-Diethyl-1,1',4,4',5,5',8,8'-octahydroxy-[2,2'-binaphthalene]-3,3',7,7'-tetrone C24H18O12 498.079826 NA MeJP NA NA +MJ073810 Fucodiphlorethol B C24H18O12 498.079826 NA MeJP NA NA +MJ073811 Fucodiphlorethol C C24H18O12 498.079826 NA MeJP NA NA +MJ073812 Fucodiphlorethol D C24H18O12 498.079826 NA MeJP NA NA +MJ073813 Islandoquinone C24H18O12 498.079826 NA MeJP NA NA +MJ073814 Tetrafucol A C24H18O12 498.079826 NA MeJP NA NA +MJ073815 Tetraphlorethol A C24H18O12 498.079826 NA MeJP NA NA +MJ073816 3,4,5-Trihydroxybenzoic acid; 3-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside], Me ester C21H22O14 498.100955 NA MeJP NA NA +MJ073817 3,6-Digalloylglucose; D-Pyranose-form, Me glycoside C21H22O14 498.100955 NA MeJP NA NA +MJ073818 4,6-Digalloylglucose; ?-D-Pyranose-form, Me glycoside C21H22O14 498.100955 NA MeJP NA NA +MJ073819 6-Galloylglucose; ?-D-Pyranose-form, Me glycoside, O-(3,4-dihydroxybenzoyl) C21H22O14 498.100955 NA MeJP NA NA +PJ002869 GCCCN C15H26N6O7S3 498.1025 NA PeJP NA NA +C03646 Bis-gamma-glutamylcystine C16H26N4O10S2 498.109 NA KEGG NA NA +MJ073820 N-?-Glutamylcysteine; L-L-form, Disulfide C16H26N4O10S2 498.109034 NA MeJP NA NA +MJ073821 Bis-gamma-glutamylcystine C16H26N4O10S2 498.109034 NA MeJP NA NA +MetaCyc03722 bis-γ-glutamylcystine [oxidized γ-glutamylcysteine;L-cysteine, L-γ-glutamyl-, (2-2')-disulfide;γ-Glu-cys disulfide;] C16H26N4O10S2 498.109034 NA metacyc NA NA +MJ073822 3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4'-Methylene, 5-Me ether, 7-O-?-D-apiofuranoside C25H22O11 498.116211 NA MeJP NA NA +MJ073823 3,3',4,4'-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4'-Methylene ether, 3-O-?-D-glucopyranoside C25H22O11 498.116211 NA MeJP NA NA +MJ073824 3-Hydroxyumbilicaric acid C25H22O11 498.116211 NA MeJP NA NA +MJ073825 Cadensin A; 10-Hydroxy, 5'-methoxy, 4'-O-de-Me, 3'-Me ether C25H22O11 498.116211 NA MeJP NA NA +MJ073826 Hiascic acid; 2'-Me ether C25H22O11 498.116211 NA MeJP NA NA +MJ073827 Hiascic acid; 2-Me ether C25H22O11 498.116211 NA MeJP NA NA +MJ073828 Hiascic acid; 5-Me ether C25H22O11 498.116211 NA MeJP NA NA +MJ073829 Binifibrate C25H23ClN2O7 498.119378 NA MeJP NA NA +PJ002870 CDMM C17H30N4O7S3 498.1277 NA PeJP NA NA +MJ073830 1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C22H26O13 498.13734 NA MeJP NA NA +MJ073831 1,2,3,5-Benzenetetrol; 1,3,5-Tri-Me ether, 2-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C22H26O13 498.13734 NA MeJP NA NA +MJ073832 Arbutin; 2-O-[(2-Furancarbonyl)-(?5)-?-D-apiofuranosyl] C22H26O13 498.13734 NA MeJP NA NA +MJ073833 Catalpol; 6-(3,4-Dihydroxybenzoyl) C22H26O13 498.13734 NA MeJP NA NA +PJ002871 CDDF C20H26N4O9S 498.1421 NA PeJP NA NA +MJ073834 Nitrotyrasanguinarine C28H22N2O7 498.142701 NA MeJP NA NA +PJ002872 CCHH C18H26N8O5S2 498.1468 NA PeJP NA NA +FL5FAAGP0001 Ikarisoside E C26H26O10 498.15259 113558-13-7 knapsack NA NA +FL63ACNS0025 Phylloflavan C26H26O10 498.15259 98570-83-3 knapsack NA NA +MJ073835 3,3',4',5,7-Pentahydroxyflavan, 3-O-[5-(3,4-Dihydroxyphenyl)-2R-hydroxypentanoyl] C26H26O10 498.152597 NA MeJP NA NA +MJ073836 Citrusinol; 3-O-?-L-Rhamnopyranoside C26H26O10 498.152597 NA MeJP NA NA +MJ073837 Dukunolide A; 8?,9?-Epoxide C26H26O10 498.152597 NA MeJP NA NA +MJ073838 Hypomycetin C26H26O10 498.152597 NA MeJP NA NA +MJ073839 Clobenoside C25H32Cl2O6 498.157594 NA MeJP NA NA +PJ002873 SDDY C20H26N4O11 498.1598 NA PeJP NA NA +MJ073840 15-Bromo-9(11)-parguerene-2,7,16,19-tetrol, 2,16-Di-Ac C24H35BrO6 498.161701 NA MeJP NA NA +MJ073841 15-Bromo-9(11)-parguerene-2,7,16,19-tetrol, 2,19-Di-Ac C24H35BrO6 498.161701 NA MeJP NA NA +MJ073842 15-Bromo-9(11)-parguerene-2,7,16,19-tetrol, 2,7-Di-Ac C24H35BrO6 498.161701 NA MeJP NA NA +MJ073843 Isoparguerol; 16-Ac C24H35BrO6 498.161701 NA MeJP NA NA +MJ073844 Nauclecosidine C25H26N2O9 498.16383 NA MeJP NA NA +PJ002874 SMMM C18H34N4O6S3 498.1641 NA PeJP NA NA +MJ073845 6-Chloro-2,8,9,11,12-pentahydroxy-3,5(16),13-briaratrien-18,7-olide; 9-Epimer, 2,9-di-Ac C24H31ClO9 498.16566 NA MeJP NA NA +MJ073846 6-Chloro-2,8,9,11,12-pentahydroxy-5(16),13-briaradien-18,7-olide, 12-Ketone, 2,9-di-Ac C24H31ClO9 498.16566 NA MeJP NA NA +MJ073847 6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 13?,14?-Epoxide, 9,12-di-Ac C24H31ClO9 498.16566 NA MeJP NA NA +FL3FQUNP0002 Artonol D;6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthene-7,10,15(9H,12H)-trione C30H26O7 498.16785 186824-60-2 knapsack NA NA +MJ073848 Artonol C; 2',5'-Quinone C30H26O7 498.167853 NA MeJP NA NA +MJ073849 Palodesangrens; Palodesangren A C30H26O7 498.167853 NA MeJP NA NA +MJ073850 Palodesangrens; Palodesangren B C30H26O7 498.167853 NA MeJP NA NA +MJ073851 1,4,5,8,10,13-Hexahydroxy-7(11)-muurolen-12,6-olide, 5,8,10,13-Tetra-Ac C23H30O12 498.173726 NA MeJP NA NA +MJ073852 3-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Benzyl glycoside, 2',3',4'-tri-Ac C23H30O12 498.173726 NA MeJP NA NA +MJ073853 8-Hydroxy-p-menth-1-en-7-oic acid, [3,4,5-Trihydroxybenzoyl-(?1)-?-D-glucopyranos-6-yl] ester C23H30O12 498.173726 NA MeJP NA NA +MJ073854 Ajugol; 6-O-(4-Hydroxy-3-methoxybenzoyl) C23H30O12 498.173726 NA MeJP NA NA +MJ073855 Cypellocarpin A C23H30O12 498.173726 NA MeJP NA NA +MJ073856 Musabalbisiane A; 18-Aldehyde, 19-carboxylic acid, 23-alcohol C23H30O12 498.173726 NA MeJP NA NA +MJ073857 Nishindaside C23H30O12 498.173726 NA MeJP NA NA +MJ073858 Trifochalcanoloside III C23H30O12 498.173726 NA MeJP NA NA +PJ002875 GEMY C21H30N4O8S 498.1785 NA PeJP NA NA +PJ002876 NNDH C18H26N8O9 498.1823 NA PeJP NA NA +MJ073859 N-Acetyl-?-aspartyl-3-[(1-amino-2-phenylethyl)hydroxyphosphinyl]-2-methylpropanoylalaninamide C21H31N4O8P 498.18795 NA MeJP NA NA +MJ073860 5'-[4-(3,4-Dihydroxyphenyl)-2,3-bis(hydroxymethyl)butyl]-5-(3-hydroxy-2-propenyl)-[1,1'-biphenyl]-2,2',3,3'-tetrol C27H30O9 498.188982 NA MeJP NA NA +MJ073861 7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid C27H30O9 498.188982 NA MeJP NA NA +MJ073862 Atalantin; 7-Ketone C27H30O9 498.188982 NA MeJP NA NA +MJ073863 Dehydroaustinol; Ac C27H30O9 498.188982 NA MeJP NA NA +MJ073864 Guarealactone C C27H30O9 498.188982 NA MeJP NA NA +MJ073865 Heteroclitin E C27H30O9 498.188982 NA MeJP NA NA +MJ073866 Leptolepisol C C27H30O9 498.188982 NA MeJP NA NA +MJ073867 Schizantherin D; 7-De-O-benzoyl, 7-O-angeloyl C27H30O9 498.188982 NA MeJP NA NA +MJ073868 Schizantherin L C27H30O9 498.188982 NA MeJP NA NA +PJ002877 PDMH C20H30N6O7S 498.1897 NA PeJP NA NA +MJ073869 Staurosporine; 3,11-Dihydroxy C28H26N4O5 498.190319 NA MeJP NA NA +PJ002878 MYW C25H30N4O5S 498.1937 NA PeJP NA NA +PJ002879 STEY C21H30N4O10 498.1962 NA PeJP NA NA +PJ002880 AMMF C22H34N4O5S2 498.1971 NA PeJP NA NA +3091 gluten A4 exorphin GYYP 498.199 celiac toxic Inhouse_peptide NA peptide +C16724 Strictosamide C26H30N2O8 498.2002 NA KEGG NA NA +MJ073870 Vincosamide C26H30N2O8 498.200215 NA MeJP NA NA +MJ073871 Punaglandin 3; 17,18-Dihydro C25H35ClO8 498.202045 NA MeJP NA NA +MJ073872 Punaglandin 5 C25H35ClO8 498.202045 NA MeJP NA NA +MJ073873 Socotrin-4'-ol C31H30O6 498.204238 NA MeJP NA NA +MJ073874 Conivaptan C32H26N4O2 498.205576 NA MeJP NA NA +PJ002881 VDEH C20H30N6O9 498.2075 NA PeJP NA NA +C11657 Iridodial glucoside tetraacetate C24H34O11 498.2101 NA KEGG NA NA +C11658 8-Epiiridodial glucoside tetraacetate C24H34O11 498.2101 NA KEGG NA NA +MJ073875 1,4,5,8,10,13-Hexahydroxy-7(11)-muurolen-12,6-olide, 13-Me ether, 8-(2-methylpropanoyl), 5,10-di-Ac C24H34O11 498.210111 NA MeJP NA NA +MJ073876 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[5,8-Dihydroxy-2,6-dimethyl-2E,6E-octadienoyl-(?6)-?-D-glucopyranoside] C24H34O11 498.210111 NA MeJP NA NA +MJ073877 Taxagifin III C24H34O11 498.210111 NA MeJP NA NA +PJ002882 GPYY C25H30N4O7 498.2115 NA PeJP NA NA +PJ002883 SVMY C22H34N4O7S 498.2148 NA PeJP NA NA +MJ073878 Pteledimericine C30H30N2O5 498.215472 NA MeJP NA NA +MJ073879 Mildiomycin; 8'-Deoxy C19H30N8O8 498.218659 NA MeJP NA NA +PJ002884 SQQH C19H30N8O8 498.2187 NA PeJP NA NA +MJ073880 7-O-(3-Hydroxy-8(12)-drimen-11-yl)isofraxidin, 3'-Ketone, 2'?-acetoxy C28H34O8 498.225368 NA MeJP NA NA +MJ073881 Ablukast C28H34O8 498.225368 NA MeJP NA NA +MJ073882 Binankadsurin A; Me ether, 7-O-angeloyl C28H34O8 498.225368 NA MeJP NA NA +MJ073883 Binankadsurin A; Me ether, 7-O-tigloyl C28H34O8 498.225368 NA MeJP NA NA +MJ073884 Bisvertinol C28H34O8 498.225368 NA MeJP NA NA +MJ073885 Drummondin E C28H34O8 498.225368 NA MeJP NA NA +MJ073886 Drummondin F C28H34O8 498.225368 NA MeJP NA NA +MJ073887 Garcidepsidone B; 6',7'-Dihydro, 7'-hydroxy C28H34O8 498.225368 NA MeJP NA NA +MJ073888 Gedunin; 6?-Hydroxy C28H34O8 498.225368 NA MeJP NA NA +MJ073889 Gomisin O; Angeloyl C28H34O8 498.225368 NA MeJP NA NA +MJ073890 Gomisin O; Tigloyl C28H34O8 498.225368 NA MeJP NA NA +MJ073891 Guyanin C28H34O8 498.225368 NA MeJP NA NA +MJ073892 Isogomisin O; Angeloyl C28H34O8 498.225368 NA MeJP NA NA +MJ073893 Isouliginosin B C28H34O8 498.225368 NA MeJP NA NA +MJ073894 Nimbandiol; 6-Ac C28H34O8 498.225368 NA MeJP NA NA +MJ073895 Nimbin; O-De-Ac C28H34O8 498.225368 NA MeJP NA NA +MJ073896 Obacunol; 7-Ac C28H34O8 498.225368 NA MeJP NA NA +MJ073897 Physodic acid; Di-Me ether C28H34O8 498.225368 NA MeJP NA NA +MJ073898 Uliginosin B C28H34O8 498.225368 NA MeJP NA NA +C09004 Drummondin A C28H34O8 498.2254 NA KEGG NA NA +PJ002885 FFW C29H30N4O4 498.2267 NA PeJP NA NA +MJ073899 ?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-D-arabino-hexose; ?-Pyranose-form, Me glycoside, 3,3'-di-Me C21H38O13 498.231241 NA MeJP NA NA +3079 hemorphin-7 YPWTQRF 498.234 MH2+ Inhouse_peptide NA peptide +3552 a-lactorphin (50-53) YGLF 498.236 ACE inhibitor Inhouse_peptide NA peptide +3554 a-lactokinin (a-La 50-53) ACE inhibitor YGLF 498.236 ACE inhibitor Inhouse_peptide NA peptide +C07704 Moexipril C27H34N2O7 498.2366 NA KEGG NA NA +C07705 Transferred to D00623 C27H34N2O7 498.2366 NA KEGG NA NA +MJ073900 Moexiprilat; 2-Et ester C27H34N2O7 498.236601 NA MeJP NA NA +MJ073901 N-[1-[(tert-Butylcarbonyl)methyl]-2,3-dihydro-2-oxo-5-(2-pyridyl)-1H-1,4-benzodiazepin-3-yl]-N'-[3-(methylamino)phenyl]urea C28H30N6O3 498.237938 NA MeJP NA NA +PJ002886 TLEH C21H34N6O8 498.2438 NA PeJP NA NA +MJ073902 2,3-Epoxy-5,6,7,9,10,14,16-grayanotoxaneheptol, 14-Propanoyl, 6-Ac C25H38O10 498.246497 NA MeJP NA NA +MJ073903 2,3-Epoxy-5,6,7,9,10,14,16-grayanotoxaneheptol, 6-(7)-Propanoyl, 7(6)-Ac C25H38O10 498.246497 NA MeJP NA NA +PJ002887 GLFY C26H34N4O6 498.2479 NA PeJP NA NA +MJ073904 Kanamycin A; 3''-N-Me C19H38N4O11 498.253708 NA MeJP NA NA +PJ002888 SQKH C20H34N8O7 498.2551 NA PeJP NA NA +PJ002889 PVHF C25H34N6O5 498.2591 NA PeJP NA NA +MJ073905 1,16:4,18:11,16-Triepoxy-6,7,15-clerodanetriol, 6-Cinnamoyl(E-) C29H38O7 498.261753 NA MeJP NA NA +MJ073906 1,16:4,18:11,16-Triepoxy-6,7,15-clerodanetriol, 6-Cinnamoyl(Z-) C29H38O7 498.261753 NA MeJP NA NA +MJ073907 3,4,6,8-Tetrahydroxy-11,13-clerodadien-15,16-olide, 4-Et ether, 6-benzoyl C29H38O7 498.261753 NA MeJP NA NA +MJ073908 3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 3-(3-Methyl-2-butenoyl) C29H38O7 498.261753 NA MeJP NA NA +MJ073909 3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 14-Ac C29H38O7 498.261753 NA MeJP NA NA +MJ073910 3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 15-Ac C29H38O7 498.261753 NA MeJP NA NA +MJ073911 3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 7-Ac C29H38O7 498.261753 NA MeJP NA NA +MJ073912 5,6:12,21-Diepoxy-12,17-dihydroxy-1-oxowitha-2,24-dienolide, 12-Me ether C29H38O7 498.261753 NA MeJP NA NA +MJ073913 8-Daucene-2,4,6-triol, 6-(4-Acetoxybenzoyl), 2-angeloyl C29H38O7 498.261753 NA MeJP NA NA +MJ073914 Achyroclinopyrone C29H38O7 498.261753 NA MeJP NA NA +MJ073915 Nimbocinol; 1,2-Dihydro, 1?-methoxy, 14?,15?-epoxide, 7-Ac C29H38O7 498.261753 NA MeJP NA NA +MJ073916 Nimocinolide; 23-Me ether C29H38O7 498.261753 NA MeJP NA NA +MJ073917 Nimocinolide; 23-Oxo, 21-alcohol, O6-Me C29H38O7 498.261753 NA MeJP NA NA +MJ073918 Superpicrolichenic acid C29H38O7 498.261753 NA MeJP NA NA +MJ073919 Surangin A; 1'''-Acetoxy C29H38O7 498.261753 NA MeJP NA NA +MJ073920 Trechonolide A; 12-Me ether C29H38O7 498.261753 NA MeJP NA NA +PJ002890 VLMH C22H38N6O5S 498.2625 NA PeJP NA NA +MJ073921 22,23-Epoxy-24-norcholest-7-ene-2,3,4-triol, 4-Sulfate C26H42O7S 498.265124 NA MeJP NA NA +3803 NA VGVAPG 498.267 ACE inhibitor Inhouse_peptide NA peptide +MJ073922 Conglobatin C28H38N2O6 498.272986 NA MeJP NA NA +MJ073923 Simetride C28H38N2O6 498.272986 NA MeJP NA NA +MJ073924 Teludipine C28H38N2O6 498.272986 NA MeJP NA NA +MJ073925 Azadirone; O-Benzoyl, O-de-Ac C33H38O4 498.277009 NA MeJP NA NA +PJ002891 GPPTK C22H38N6O7 498.2802 NA PeJP NA NA +MJ073926 10(20)-Grayanotoxene-3,5,6,16-tetrol, 3-O-?-D-Glucopyranoside C26H42O9 498.282882 NA MeJP NA NA +MJ073927 13,16-Dihydroxy-19-kauranoic acid, 13-O-?-D-Glucopyranoside C26H42O9 498.282882 NA MeJP NA NA +MJ073928 15,16-Dihydroxy-9(11)-pimaren-19-oic acid, ?-D-Glucopyranosyl ester C26H42O9 498.282882 NA MeJP NA NA +MJ073929 15-Pimarene-9,17,18-triol; 9?-form, 17-Carboxylic acid, 18-O-?-D-glucopyranoside C26H42O9 498.282882 NA MeJP NA NA +MJ073930 16,17,19-Kauranetriol, 19-Carboxylic acid, 17-O-?-D-glucopyranoside C26H42O9 498.282882 NA MeJP NA NA +MJ073931 16,17,19-Kauranetriol, 19-Carboxylic acid, ?-D-glucopyranosyl ester C26H42O9 498.282882 NA MeJP NA NA +MJ073932 16,17,19-Kauranetriol, 19-Carboxylic acid, 19-?-D-glucopyranosyl ester C26H42O9 498.282882 NA MeJP NA NA +MJ073933 16-Kaurene-3,11,13,15-tetrol, 3-O-?-D-Glucopyranoside C26H42O9 498.282882 NA MeJP NA NA +MJ073934 2,3,16,17-Kauranetetrol, 2-Ketone, 17-O-?-D-glucopyranoside C26H42O9 498.282882 NA MeJP NA NA +MJ073935 2,3,16,17-Kauranetetrol, 3-Ketone, 17-O-?-D-glucopyranoside C26H42O9 498.282882 NA MeJP NA NA +MJ073936 3,8(17)-Dolabelladiene-2,7,9,16,18-pentol, 16-(3-Hydroxy-3-methylglutaroyl) C26H42O9 498.282882 NA MeJP NA NA +MJ073937 5,9-Epoxy-10(20)-grayanotoxene-3,6,16-triol, 10R,20-Dihydro, 6-O-?-D-glucopyranoside C26H42O9 498.282882 NA MeJP NA NA +MJ073938 5,9-Epoxy-10(20)-grayanotoxene-3,6,16-triol, 10S,20-Dihydro, 3-O-?-D-glucopyranoside C26H42O9 498.282882 NA MeJP NA NA +MJ073939 7,15-Isopimaradiene-2,3,6,19-tetrol, 19-O-?-D-Altropyranoside C26H42O9 498.282882 NA MeJP NA NA +MJ073940 8(14)-Pimarene-2,3,15,16-tetrol, 15-Ketone, 16-O-?-D-glucopyranoside C26H42O9 498.282882 NA MeJP NA NA +MJ073941 8(14)-Pimarene-2,3,15,16-tetrol, 2-Ketone, 16-O-?-D-glucopyranoside C26H42O9 498.282882 NA MeJP NA NA +MJ073942 8(14)-Pimarene-2,3,15,16-tetrol, 3-Ketone, 16-O-?-D-glucopyranoside C26H42O9 498.282882 NA MeJP NA NA +MJ073943 8,9-Epoxy-3-dolabellene-2,7,16,18-tetrol, 16-(3-Hydroxy-3-methylglutaryl) C26H42O9 498.282882 NA MeJP NA NA +MJ073944 9-Grayanotoxene-3,5,6,16-tetrol, 3-O-?-D-Glucopyranoside C26H42O9 498.282882 NA MeJP NA NA +MJ073945 Clerodiol C26H42O9 498.282882 NA MeJP NA NA +MJ073946 Pseudomonic acid A; 4',5'-Didehydro C26H42O9 498.282882 NA MeJP NA NA +MJ073947 Chaetoglobosin A; 19-Deoxy, 20-deoxo C32H38N2O3 498.288243 NA MeJP NA NA +MJ073948 Chaetoglobosin J; 19-Deoxy, 20?-alcohol C32H38N2O3 498.288243 NA MeJP NA NA +PJ002892 PVQR C21H38N8O6 498.2915 NA PeJP NA NA +C08806 Cucurbitacin S C30H42O6 498.2981 NA KEGG NA NA +MJ073949 20,24-Epoxy-3,16-dihydroxycucurbita-5,23-diene-7,11,22-trione C30H42O6 498.298139 NA MeJP NA NA +MJ073950 3,25-Epoxy-6,25-dihydroxy-14-taraxerene-1,16,21-trione C30H42O6 498.298139 NA MeJP NA NA +MJ073951 4,9,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 13-(3E,5E-Decadienoyl) C30H42O6 498.298139 NA MeJP NA NA +MJ073952 Ardisiaquinone F C30H42O6 498.298139 NA MeJP NA NA +MJ073953 Azadirolic acid C30H42O6 498.298139 NA MeJP NA NA +MJ073954 Blepharodol; 7?-Hydroxy C30H42O6 498.298139 NA MeJP NA NA +MJ073955 Cucurbitacin S C30H42O6 498.298139 NA MeJP NA NA +MJ073956 Euphohelioscopin A C30H42O6 498.298139 NA MeJP NA NA +MJ073957 Ingenol; 3-(2E,4Z-Decadienoyl) C30H42O6 498.298139 NA MeJP NA NA +MJ073958 Meliac-14-ene-1,3,7-triol, 3,7-Di-Ac C30H42O6 498.298139 NA MeJP NA NA +MJ073959 Pseudolarolide E C30H42O6 498.298139 NA MeJP NA NA +MJ073960 Sodagnitin E; 3-Ketone C30H42O6 498.298139 NA MeJP NA NA +MJ073961 Sodwanone G C30H42O6 498.298139 NA MeJP NA NA +7566 ACE inhibitor VRGPFPIIV 498.299 MH2+ Inhouse_peptide NA peptide +MJ073962 Cinchophyllamine; 18,19-Dihydro C31H38N4O2 498.299476 NA MeJP NA NA +PJ002893 APRR C20H38N10O5 498.3027 NA PeJP NA NA +MJ073963 6-Bromo-26-methyl-5,9-heptacosadienoic acid C28H51BrO2 498.307243 NA MeJP NA NA +MJ073964 6-Bromo-5,9,24-octacosatrienoic acid, 24,25-Dihydro C28H51BrO2 498.307243 NA MeJP NA NA +MJ073965 Hennoxazole A; 4-Deoxy C29H42N2O5 498.309372 NA MeJP NA NA +PJ002894 AAPLK C23H42N6O6 498.3166 NA PeJP NA NA +MJ073966 16,17,18-Kauranetriol, 18-O-(4-O-Methyl-?-D-glucopyranoside) C27H46O8 498.319268 NA MeJP NA NA +MJ073967 16,17,19-Kauranetriol, 19-(4-O-Methyl-?-D-glucopyranoside) C27H46O8 498.319268 NA MeJP NA NA +MJ073968 Hemiasterlin B C28H42N4O4 498.320605 NA MeJP NA NA +PJ002895 PVKR C22H42N8O5 498.3278 NA PeJP NA NA +MJ073969 11-Hydroxy-3,21-dioxo-12-oleanen-28-oic acid; 11?-form, Me ether C31H46O5 498.334524 NA MeJP NA NA +MJ073970 23-Oxo-2,3-seco-20(22),24-dammaradien-2,11-olid-3-oic acid, Me ester C31H46O5 498.334524 NA MeJP NA NA +MJ073971 3,16-Dihydroxyfusida-9(11),17(20)-dien-21-oic acid, 16-Ac C31H46O5 498.334524 NA MeJP NA NA +MJ073972 3,6,16-Trihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid, 3-Ketone C31H46O5 498.334524 NA MeJP NA NA +MJ073973 Anguinomycin A; 1-Alcohol C31H46O5 498.334524 NA MeJP NA NA +MJ073974 Garsubellin B C31H46O5 498.334524 NA MeJP NA NA +MJ073975 Garsubellin C; 18-Epimer, 29-C-methyl C31H46O5 498.334524 NA MeJP NA NA +MJ073976 Garsubellin E C31H46O5 498.334524 NA MeJP NA NA +MJ073977 Poricoic acid A C31H46O5 498.334524 NA MeJP NA NA +MJ073978 Poricoic acid B; 3-Me ester C31H46O5 498.334524 NA MeJP NA NA +MJ073979 Borreverine; 14',15'-Dihydro, 15'-hydroxy C32H42N4O 498.335861 NA MeJP NA NA +MJ073980 Isoborreverine; 15'-Hydroxy, 14',15'-dihydro C32H42N4O 498.335861 NA MeJP NA NA +MJ073981 2-Demethylvitamin K2(25) C35H46O2 498.34978 NA MeJP NA NA +MJ073982 Neurosporaxanthin C35H46O2 498.34978 NA MeJP NA NA +C08607 Neurosporaxanthin C35H46O2 498.3498 NA KEGG NA NA +MJ073983 Dipyrandium(2+); Dichloride C29H52Cl2N2 498.350755 NA MeJP NA NA +MJ073984 1,11-Epoxy-3-hydroxy-24-methylenecycloartan-28-oic acid, Me ester C32H50O4 498.37091 NA MeJP NA NA +MJ073985 12-Oleanene-3,24-diol; 3?-form, 24-Carboxylic acid, Ac C32H50O4 498.37091 NA MeJP NA NA +MJ073986 12-Ursene-3,24-diol; 3?-form, 24-Carboxylic acid, 3-Ac C32H50O4 498.37091 NA MeJP NA NA +MJ073987 12-Ursene-3,29-diol, 29-Carboxylic acid, 3-Ac C32H50O4 498.37091 NA MeJP NA NA +MJ073988 21,23-Epoxy-21,22-dihydroxycycloart-24-en-3-one, 21-Et ether C32H50O4 498.37091 NA MeJP NA NA +MJ073989 24,25-Epoxy-23-hydroxyprotost-13(17)-en-3-one, 23-Ac C32H50O4 498.37091 NA MeJP NA NA +MJ073990 24,25-Epoxytirucall-7-ene-3,23-diol, 3-Ketone, 23-Ac C32H50O4 498.37091 NA MeJP NA NA +MJ073991 3,13-Dihydroxy-28-oleananoic acid, 28?13 Lactone, Ac C32H50O4 498.37091 NA MeJP NA NA +MJ073992 3,13-Dihydroxy-28-ursanoic acid, 28?13 Lactone, 3-Ac C32H50O4 498.37091 NA MeJP NA NA +MJ073993 3,15-Dihydroxy-27-friedelanoic acid, 27?15 Lactone, Ac C32H50O4 498.37091 NA MeJP NA NA +MJ073994 3,16-Dihydroxy-27-friedelanoic acid, 27?16 Lactone, 3-Ac C32H50O4 498.37091 NA MeJP NA NA +MJ073995 3,20,28-Taraxastanetriol, 28-Carboxylic acid, 28?20 lactone, 3-Ac C32H50O4 498.37091 NA MeJP NA NA +MJ073996 3,23-Dihydroxy-20(30)-lupen-29-al, 29-Alcohol, 3-ketone, 29-Ac C32H50O4 498.37091 NA MeJP NA NA +MJ073997 3,25-Epoxy-3-hydroxy-12-oleanen-28-oic acid; Et ether C32H50O4 498.37091 NA MeJP NA NA +MJ073998 3,28-Dihydroxy-12,21-ursadien-27-oic acid, 28-Et ether C32H50O4 498.37091 NA MeJP NA NA +MJ073999 3,4-Secocycloarta-4(28),24-diene-3,26-dioic acid, Di-Me ester C32H50O4 498.37091 NA MeJP NA NA +MJ074000 3-Hydroxy-12-oleanen-27-oic acid, Ac C32H50O4 498.37091 NA MeJP NA NA +MJ074001 3-Hydroxy-12-oleanen-28-oic acid, Ac C32H50O4 498.37091 NA MeJP NA NA +MJ074002 3-Hydroxy-12-ursen-28-oic acid, Ac C32H50O4 498.37091 NA MeJP NA NA +MJ074003 3-Hydroxy-14-taraxeren-28-oic acid, Ac C32H50O4 498.37091 NA MeJP NA NA +MJ074004 3-Hydroxy-14-taraxeren-28-oic acid; 3?-form, Ac C32H50O4 498.37091 NA MeJP NA NA +MJ074005 3-Hydroxy-18-oleanen-28-oic acid, Ac C32H50O4 498.37091 NA MeJP NA NA +MJ074006 3-Hydroxy-8-multifloren-29-oic acid, Ac C32H50O4 498.37091 NA MeJP NA NA +MJ074007 3-Hydroxycycloart-24-en-26-oic acid, 3-Ac C32H50O4 498.37091 NA MeJP NA NA +MJ074008 3-Hydroxycycloartan-26,23-olide, Ac C32H50O4 498.37091 NA MeJP NA NA +MJ074009 3-Hydroxylanosta-8,24-dien-30-oic acid, Ac C32H50O4 498.37091 NA MeJP NA NA +MJ074010 4,4-Dimethylergosta-8,14,24(28)-triene-3,11,12-triol, 12-Ac C32H50O4 498.37091 NA MeJP NA NA +MJ074011 Echinodol C32H50O4 498.37091 NA MeJP NA NA +MJ074012 Lanost-8,24-diene-3,21-diol, 21-Carboxylic acid, Ac C32H50O4 498.37091 NA MeJP NA NA +MJ074013 Lanost-8,24-diene-3,21-diol; 3?-form, 21-Carboxylic acid, Ac C32H50O4 498.37091 NA MeJP NA NA +MJ074014 Rhoiptelic acid; Ac C32H50O4 498.37091 NA MeJP NA NA +MJ074015 12-Ursene-3,11-diol, 11-Me ether, 3-Ac C33H54O3 498.407295 NA MeJP NA NA +MJ074016 13-Hydroxy-2(9),6-protoilludadien-8-one; O-Octadecanoyl C33H54O3 498.407295 NA MeJP NA NA +MJ074017 14-Serratene-3,21-diol, 3-Me ether, 21-Ac C33H54O3 498.407295 NA MeJP NA NA +MJ074018 20-Taraxastene-3,19-diol, 19-Me ether, 3-Ac C33H54O3 498.407295 NA MeJP NA NA +MJ074019 20-Taraxastene-3,22-diol, 22-Me ether, 3-Ac C33H54O3 498.407295 NA MeJP NA NA +MJ074020 10,11:14,15-Diepoxy-2,3,7,10,15,18,22,23-octamethyl-6,19-dimethylene-1,23-tetracosadiene C34H58O2 498.443681 NA MeJP NA NA +MJ074021 3-Methyl-34,35-dinor-6,11-bacteriohopadiene-32,33-diol, 11,12-Dihydro C34H58O2 498.443681 NA MeJP NA NA +MJ074022 3-Methyl-34,35-dinor-6,11-bacteriohopadiene-32,33-diol, 6,7-Dihydro C34H58O2 498.443681 NA MeJP NA NA +MJ074023 Tetradecanoic acid; 2,3-Dihydroxyheptadecyl ester C31H62O4 498.46481 NA MeJP NA NA +MJ074024 Pyrrolomycin F; Pyrrolomycin F1 C11H5Br4NO2 498.705378 NA MeJP NA NA +MJ074025 Convolutamine E C15H20Br3NO3 498.899331 NA MeJP NA NA +MJ074026 Glycobiarsol C8H9AsBiNO6 498.944966 NA MeJP NA NA +MetaCyc03723 5-hydroxy-CTP [] C9H16N3O15P3 498.979426 NA metacyc NA NA +MJ074027 Antibiotic SF 1623 C15H21N3O10S3 499.038905 NA MeJP NA NA +MJ074028 Bis(acetato-O)amminedichloro(cyclohexylamine)platinum; cis,trans,cis-form C10H22Cl2N2O4Pt 499.060437 NA MeJP NA NA +MJ074029 3,4,5-Trimethoxybenzyl glucosinolate C17H25NO12S2 499.081816 NA MeJP NA NA +PJ002896 GCCCD C15H25N5O8S3 499.0866 NA PeJP NA NA +MJ074030 Baker's antifol II C21H24Cl2FN5O2S 499.101179 NA MeJP NA NA +MJ074031 Fosquidone C28H22NO6P 499.118473 NA MeJP NA NA +PJ002897 GSCCM C16H29N5O7S3 499.1229 NA PeJP NA NA +MJ074032 Ericamycin C28H21NO8 499.126716 NA MeJP NA NA +MJ074033 Lamellarin H; 9,12,21-Tri-Me ether C28H21NO8 499.126716 NA MeJP NA NA +MJ074034 Lamellarin H; 9,13,21-Tri-Me ether C28H21NO8 499.126716 NA MeJP NA NA +PJ002898 SSTCC C16H29N5O9S2 499.1407 NA PeJP NA NA +MJ074035 1-(2-Fluorophenyl)-2,3-dihydro-3-[(3-isoquinolinylcarbonyl)amino]-6-methoxy-2-oxo-1H-indole-3-propanoic acid C28H22FN3O5 499.154349 NA MeJP NA NA +PJ002899 CCQF C20H29N5O6S2 499.1559 NA PeJP NA NA +PJ002900 GACCF C20H29N5O6S2 499.156 NA PeJP NA NA +MJ074036 Acrimarine A; O5-De-Me, 6-demethoxy C29H25NO7 499.163102 NA MeJP NA NA +MJ074037 Halofantrine C26H30Cl2F3NO 499.165654 NA MeJP NA NA +C07634 Halofantrine C26H30Cl2F3NO 499.1657 NA KEGG NA NA +PJ002901 NDDH C18H25N7O10 499.1663 NA PeJP NA NA +MetaCyc03724 5-O-(indol-3-ylacetyl-myo-inositol) D-galactoside [] C22H29N1O12 499.168975 NA metacyc NA NA +C04695 5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside C22H29NO12 499.169 NA KEGG NA NA +C04696 7-Methylguanosine 5'-triphospho-5'-polynucleotide C21H34N5O23P4R2 499.169 NA KEGG NA NA +MJ074038 Suplatast(1+), 4-Methylbenzenesulfonate C23H33NO7S2 499.169843 NA MeJP NA NA +PJ002902 SCQY C20H29N5O8S 499.1737 NA PeJP NA NA +C12428 13-Deoxycarminomycin C26H29NO9 499.1842 NA KEGG NA NA +MJ074039 Antibiotic R 20Y7 C26H29NO9 499.184231 NA MeJP NA NA +MJ074040 Carminomycin I; 11-Deoxy, 13-alcohol C26H29NO9 499.184231 NA MeJP NA NA +MJ074041 Feudomycin A; O-De-Me C26H29NO9 499.184231 NA MeJP NA NA +MJ074042 Feudomycin C C26H29NO9 499.184231 NA MeJP NA NA +MJ074043 Oxaunomycin; 6-Deoxy C26H29NO9 499.184231 NA MeJP NA NA +PJ002903 GSPCH C19H29N7O7S 499.1849 NA PeJP NA NA +MJ074044 Adiposin 1 C19H33NO14 499.190104 NA MeJP NA NA +MJ074045 NS Antibiotic complex; NS1 C19H33NO14 499.190104 NA MeJP NA NA +PJ002904 GSSSY C20H29N5O10 499.1915 NA PeJP NA NA +PJ002905 CCKF C21H33N5O5S2 499.1923 NA PeJP NA NA +MJ074046 2-Amino-2-deoxy-?-D-mannopyranuronosyl-(1?4)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)-4-amino-4-deoxy-D-fucose C18H33N3O13 499.201338 NA MeJP NA NA +PJ002906 SQEH C19H29N7O9 499.2027 NA PeJP NA NA +MJ074047 Historphin C24H29N5O7 499.206698 NA MeJP NA NA +PJ002907 GNFY C24H29N5O7 499.2067 NA PeJP NA NA +PJ002908 SCKY C21H33N5O7S 499.2101 NA PeJP NA NA +C07031 N-Acetyl-O-demethylpuromycin C23H29N7O6 499.2179 NA KEGG NA NA +MJ074048 4-[2-[[6-Amino-9-(N-ethyl-?-D-ribofuranuronamidosyl)-9H-purin-2-yl]amino]ethyl]benzenepropanoic acid C23H29N7O6 499.217931 NA MeJP NA NA +MJ074049 N-Acetyl-O-demethylpuromycin C23H29N7O6 499.217931 NA MeJP NA NA +PJ002909 GTHW C23H29N7O6 499.218 NA PeJP NA NA +PJ002910 VNMH C20H33N7O6S 499.2213 NA PeJP NA NA +6986 coeliac toxic peptide QQQP 499.226 antioxidative Inhouse_peptide NA peptide +PJ002911 GPPTE C21H33N5O9 499.2279 NA PeJP NA NA +MJ074050 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 1-L-Asparagine, 16-L-isoleucine diamide C26H33N3O7 499.23185 NA MeJP NA NA +PJ002912 GMHR C19H33N9O5S 499.2326 NA PeJP NA NA +PJ002913 SKEH C20H33N7O8 499.2391 NA PeJP NA NA +PJ002914 PPTW C25H33N5O6 499.2431 NA PeJP NA NA +PJ002915 GPPVM C22H37N5O6S 499.2465 NA PeJP NA NA +PJ002916 STHR C19H33N9O7 499.2503 NA PeJP NA NA +MJ074051 Nodusmicin; 18-Deoxy, 9-(1H-pyrrole-2-carboxylate) C28H37NO7 499.257002 NA MeJP NA NA +PJ002917 PPMR C21H37N7O5S 499.2577 NA PeJP NA NA +PJ002918 AAPLE C22H37N5O8 499.2642 NA PeJP NA NA +EUR845 Lyso PE 18:2 [M+Na]+ C23H44NO7P 499.267488 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR845 Lyso PE 18:2 [M+Na]+ C23H44NO7P 499.267488 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR845 Lyso PE 18:2 [M+Na]+ C23H44NO7P 499.267488 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR845 Lyso PE 18:2 [M+Na]+ C23H44NO7P 499.267488 masses lipides attendues Inhousejuil11 NA NA +EUR884 Lyso PE 20:5 monoisotopic mass C25H42NO7P 499.269892 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR884 Lyso PE 20:5 monoisotopic mass C25H42NO7P 499.269892 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR884 Lyso PE 20:5 monoisotopic mass C25H42NO7P 499.269892 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR884 Lyso PE 20:5 monoisotopic mass C25H42NO7P 499.269892 masses lipides attendues Inhousejuil11 NA NA +HMDB11489 LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z)) C25H42NO7P 499.269897 NA HMDB2010 NA NA +HMDB11519 LysoPE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C25H42NO7P 499.269897 NA HMDB2010 NA NA +MJ074052 Carebastine C32H37NO4 499.272258 NA MeJP NA NA +PJ002919 PVER C21H37N7O7 499.2755 NA PeJP NA NA +MJ074053 4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18-Tetra-Me, N-Et C25H41NO9 499.278131 NA MeJP NA NA +PJ002920 PVVW C26H37N5O5 499.2795 NA PeJP NA NA +EUR827 Lyso PE 16:0 [M+FA-H]- C21H44NO7P 499.290422 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR827 Lyso PE 16:0 [M+FA-H]- C21H44NO7P 499.290422 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR827 Lyso PE 16:0 [M+FA-H]- C21H44NO7P 499.290422 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR827 Lyso PE 16:0 [M+FA-H]- C21H44NO7P 499.290422 masses lipides attendues Inhousejuil11 NA NA +EUR823 Lyso PE 15:0 [M-H+acetate]- C20H42NO7P 499.290992 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR823 Lyso PE 15:0 [M-H+acetate]- C20H42NO7P 499.290992 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR823 Lyso PE 15:0 [M-H+acetate]- C20H42NO7P 499.290992 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR823 Lyso PE 15:0 [M-H+acetate]- C20H42NO7P 499.290992 masses lipides attendues Inhousejuil11 NA NA +MJ074054 Antibiotic F 1839A; 2-Deoxy, N-(3-methoxycarbonylbutyl) C29H41NO6 499.293388 NA MeJP NA NA +HMDB00874 Tauroursodeoxycholic acid C26H45NO6S 499.29675 http://www.hmdb.ca/metabolites/HMDB00874 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00951 Taurochenodesoxycholic acid C26H45NO6S 499.29675 http://www.hmdb.ca/metabolites/HMDB00951 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00874 Tauroursodeoxycholic acid C26H45NO6S 499.29675 http://www.hmdb.ca/metabolites/HMDB00874 HMDB NA NA +HMDB00896 Taurodeoxycholic acid C26H45NO6S 499.29675 http://www.hmdb.ca/metabolites/HMDB00896 HMDB NA NA +HMDB00951 Taurochenodesoxycholic acid C26H45NO6S 499.29675 http://www.hmdb.ca/metabolites/HMDB00951 HMDB NA NA +HMDB00874 Tauroursodeoxycholic acid C26H45NO6S 499.29675 http://www.hmdb.ca/metabolites/HMDB00874 PFEM_hmdb_metabocards_blood NA blood +HMDB00951 Taurochenodesoxycholic acid C26H45NO6S 499.29675 http://www.hmdb.ca/metabolites/HMDB00951 PFEM_hmdb_metabocards_blood NA blood +HMDB00874 Tauroursodeoxycholic acid C26H45NO6S 499.29675 HMDB00874 PFEM_hmdb_metabocards_official NA NA +HMDB00896 Taurodeoxycholic acid C26H45NO6S 499.29675 HMDB00896 PFEM_hmdb_metabocards_official NA NA +HMDB00951 Taurochenodesoxycholic acid C26H45NO6S 499.29675 HMDB00951 PFEM_hmdb_metabocards_official NA NA +HMDB00874 Tauroursodeoxycholic acid C26H45NO6S 499.296753 NA HMDB2010 NA NA +HMDB00896 Taurodeoxycholic acid C26H45NO6S 499.296753 NA HMDB2010 NA NA +HMDB00951 Taurochenodesoxycholic acid C26H45NO6S 499.296753 NA HMDB2010 NA NA +MJ074055 3,7-Dihydroxycholan-24-oic acid, N-(2-Sulfoethyl) C26H45NO6S 499.296758 NA MeJP NA NA +MetaCyc03725 chenodeoxycholoyltaurine [] C26H45N1O6S1 499.296759 NA metacyc NA NA +C05463 Taurodeoxycholate C26H45NO6S 499.2968 NA KEGG NA NA +C05465 Taurochenodeoxycholate C26H45NO6S 499.2968 NA KEGG NA NA +C16868 Tauroursodeoxycholic acid C26H45NO6S 499.2968 NA KEGG NA NA +PJ002921 GPTLL C23H41N5O7 499.3006 NA PeJP NA NA +PJ002922 PQKK C22H41N7O6 499.3119 NA PeJP NA NA +PJ002923 AALLL C24H45N5O6 499.337 NA PeJP NA NA +PJ002924 VLLR C23H45N7O5 499.3482 NA PeJP NA NA +2608 synthetic peptide inhibitors of (PEP) IYPFPGPIP 499.764 MH2+ Inhouse_peptide NA peptide +2906 neuropeptide from eyestalk of Macrobrachium rosenb APALRLRFG 499.7925 MH2+ Inhouse_peptide NA peptide +MJ074056 Broxitalamic acid C12H11Br3N2O5 499.821809 NA MeJP NA NA +MJ074057 Obtusallene I; 10-Bromo C15H16Br3ClO2 499.838895 NA MeJP NA NA +C01272 1D-myo-Inositol 1,3,4,5-tetrakisphosphate C6H16O18P4 499.9287 NA KEGG NA NA +C04477 1D-myo-Inositol 1,3,4,6-tetrakisphosphate C6H16O18P4 499.9287 NA KEGG NA NA +C04520 1D-myo-Inositol 3,4,5,6-tetrakisphosphate C6H16O18P4 499.9287 NA KEGG NA NA +C11555 1D-myo-Inositol 1,4,5,6-tetrakisphosphate C6H16O18P4 499.9287 NA KEGG NA NA +C11556 1-Phosphatidyl-1D-myo-inositol 3,5-bisphosphate C11H19O19P3R2 499.9287 NA KEGG NA NA +C11557 1-Phosphatidyl-1D-myo-inositol 5-phosphate C11H18O16P2R2 499.9287 NA KEGG NA NA +MJ074058 1D-myo-Inositol 1,3,4,5-tetrakisphosphate C6H16O18P4 499.928709 NA MeJP NA NA +MJ074059 1D-myo-Inositol 1,3,4,6-tetrakisphosphate C6H16O18P4 499.928709 NA MeJP NA NA +MJ074060 1D-myo-Inositol 3,4,5,6-tetrakisphosphate C6H16O18P4 499.928709 NA MeJP NA NA +HMDB01059 Inositol 1,3,4,5-tetraphosphate C6H16O18P4 499.92871 http://www.hmdb.ca/metabolites/HMDB01059 HMDB NA NA +HMDB01187 1D-Myo-inositol 1,3,4,6-tetrakisphosphate C6H16O18P4 499.92871 http://www.hmdb.ca/metabolites/HMDB01187 HMDB NA NA +HMDB03848 D-myo-Inositol 3,4,5,6-tetrakisphosphate C6H16O18P4 499.92871 http://www.hmdb.ca/metabolites/HMDB03848 HMDB NA NA +HMDB04527 1D-myo-Inositol 1,4,5,6-tetrakisphosphate C6H16O18P4 499.92871 http://www.hmdb.ca/metabolites/HMDB04527 HMDB NA NA +MetaCyc03726 D-myo-inositol (3,4,5,6)-tetrakisphosphate [Ins(3,4,5,6)P4;Inositol 3,4,5,6-tetrakisphosphate;1D-myo-inositol 3,4,5,6-tetrakisphosphate;I(3,4,5,6)P4;] C6H16O18P4 499.92871 NA metacyc NA NA +HMDB01059 Inositol 1,3,4,5-tetraphosphate C6H16O18P4 499.92871 HMDB01059 PFEM_hmdb_metabocards_official NA NA +HMDB01187 1D-Myo-inositol 1,3,4,6-tetrakisphosphate C6H16O18P4 499.92871 HMDB01187 PFEM_hmdb_metabocards_official NA NA +HMDB03848 D-myo-Inositol 3,4,5,6-tetrakisphosphate C6H16O18P4 499.92871 HMDB03848 PFEM_hmdb_metabocards_official NA NA +HMDB04527 1D-myo-Inositol 1,4,5,6-tetrakisphosphate C6H16O18P4 499.92871 HMDB04527 PFEM_hmdb_metabocards_official NA NA +HMDB01059 Inositol 1,3,4,5-tetraphosphate C6H16O18P4 499.928711 NA HMDB2010 NA NA +HMDB01187 1D-Myo-inositol 1,3,4,6-tetrakisphosphate C6H16O18P4 499.928711 NA HMDB2010 NA NA +HMDB03848 D-Myo-inositol 3,4,5,6-tetrakisphosphate C6H16O18P4 499.928711 NA HMDB2010 NA NA +HMDB04527 1D-Myo-inositol 1,4,5,6-tetrakisphosphate C6H16O18P4 499.928711 NA HMDB2010 NA NA +C18142 Perfluorooctanesulfonic acid C8HF17O3S 499.9375 NA KEGG NA NA +MJ074061 4-Thiouridine; 5'-Triphosphate C9H15N2O14P3S 499.945683 NA MeJP NA NA +MJ074062 Dragmacidon A; N4-Me C22H22Br2N4 500.021122 NA MeJP NA NA +MJ074063 Teclozan C20H28Cl4N2O4 500.080318 NA MeJP NA NA +MJ074064 4,6-Dichloro-5-methyl-1,3-benzenediol; 1-Me ether, 3-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C19H26Cl2O11 500.085217 NA MeJP NA NA +MJ074065 Uredofos C19H25N4O6PS2 500.095312 NA MeJP NA NA +MJ074066 Ampelopsin A, 7-Epimer, 3',14'-dihydroxy, 7',8'-didehydro C28H20O9 500.110732 NA MeJP NA NA +MJ074067 Dicyperaquinone E; Bis-deoxy C28H20O9 500.110732 NA MeJP NA NA +MJ074068 2,4,6-Trihydroxybenzoic acid; 4-O-(Tetra-O-acetyl-?-D-glucopyranoside) C21H24O14 500.116605 NA MeJP NA NA +FL3FAAGS0056 Apigenin 7-(6''-crotonylglucoside) C25H24O11 500.13186 123656-62-2 knapsack NA NA +FL63BINS0001 Epigallocatechin 5,3',5'-trimethyl ether 3-O-gallate C25H24O11 500.13186 148707-36-2 knapsack NA NA +FLIA1ACS0003 Puerarin 4',6''-diacetate C25H24O11 500.13186 24562-39-8 knapsack NA NA +MJ074069 1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(2,3-Di-O-acetyl-?-L-rhamnopyranoside) C25H24O11 500.131861 NA MeJP NA NA +MJ074070 1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(2,4-Di-O-acetyl-?-L-rhamnopyranoside) C25H24O11 500.131861 NA MeJP NA NA +MJ074071 1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(3,4-Di-O-acetyl-?-L-rhamnopyranoside) C25H24O11 500.131861 NA MeJP NA NA +MJ074072 3,3',4',5,5',7-Hexahydroxyflavan, 3',5,5'-Tri-Me ether, 3-O-(3,4,5-trihydroxybenzoyl) C25H24O11 500.131861 NA MeJP NA NA +MJ074073 Cosmosiin; 6''-O-(2E-Butenoyl) C25H24O11 500.131861 NA MeJP NA NA +MJ074074 Puerarin; 4',6''-Di-Ac C25H24O11 500.131861 NA MeJP NA NA +PJ002925 CCEF C20H28N4O7S2 500.14 NA PeJP NA NA +MJ074075 2,8,13-Trihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 4?,5?-Epoxide, 2,13-di-Ac, 8-(3-chloro-2-hydroxy-2-methylpropanoyl) C23H29ClO10 500.144924 NA MeJP NA NA +MJ074076 4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-(3-Chloro-2-hydroxy-2-methylbutanoyl), 9-Ac, Me ester C23H29ClO10 500.144924 NA MeJP NA NA +FL4DAANC0003 Gericudranin D C29H24O8 500.14711 172104-06-2 knapsack NA NA +MJ074077 3,4',7-Trihydroxyflavan-(4?2)-3,3',4',5-tetrahydroxystilbene C29H24O8 500.147117 NA MeJP NA NA +MJ074078 Gericudranin D C29H24O8 500.147117 NA MeJP NA NA +MJ074079 Gnetulin; 3-Demethoxy, 2-hydroxy C29H24O8 500.147117 NA MeJP NA NA +PJ002926 DDDH C18H24N6O11 500.1503 NA PeJP NA NA +MJ074080 1,2,4-Naphthalenetriol; 1,4-Di-O-?-D-glucopyranoside C22H28O13 500.15299 NA MeJP NA NA +MJ074081 4-Hydroxy-5-methyl-2H-1-benzopyran-2-one; O-Cellobioside C22H28O13 500.15299 NA MeJP NA NA +MJ074082 4-Hydroxy-5-methyl-2H-1-benzopyran-2-one; O-Gentiobioside C22H28O13 500.15299 NA MeJP NA NA +MJ074083 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C22H28O13 500.15299 NA MeJP NA NA +MJ074084 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C22H28O13 500.15299 NA MeJP NA NA +C00927 Isonocardicin A C23H24N4O9 500.1543 NA KEGG NA NA +C01941 Nocardicin A C23H24N4O9 500.1543 NA KEGG NA NA +C17350 Nocardicin B C23H24N4O9 500.1543 NA KEGG NA NA +MJ074085 Nocardicin A C23H24N4O9 500.154328 NA MeJP NA NA +MetaCyc03727 nocardicin A [] C23H24N4O9 500.154328 39391-39-4 metacyc NA NA +MetaCyc03728 isonocardicin A [] C23H24N4O9 500.154328 NA metacyc NA NA +PJ002927 SCEY C20H28N4O9S 500.1577 NA PeJP NA NA +C01316 (S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1- C25H28N2O7S 500.1617 NA KEGG NA NA +FL5FAAGI0002 Ikarisoside A C26H28O10 500.16824 55395-07-8 knapsack NA NA +MJ074086 3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-?-L-Rhamnopyranoside C26H28O10 500.168247 NA MeJP NA NA +MJ074087 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-O-?-L-Rhamnopyranoside C26H28O10 500.168247 NA MeJP NA NA +MJ074088 3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethyl-2-propenoyl), 15-(4-hydroxybenzoyl) C26H28O10 500.168247 NA MeJP NA NA +MJ074089 4',5,7-Trihydroxy-6-prenylisoflavone; 7-O-?-D-Glucopyranoside C26H28O10 500.168247 NA MeJP NA NA +MJ074090 Evodol; 12?-Hydroxy C26H28O10 500.168247 NA MeJP NA NA +MJ074091 Grandinal C26H28O10 500.168247 NA MeJP NA NA +MJ074092 Jasmolactone C C26H28O10 500.168247 NA MeJP NA NA +MJ074093 Sideroxylonal A C26H28O10 500.168247 NA MeJP NA NA +C11374 GW1843 C27H24N4O6 500.1696 NA KEGG NA NA +PJ002928 GMMY C21H32N4O6S2 500.1763 NA PeJP NA NA +MJ074094 Singapurensine A; 11,12-Methylenedioxy, Me ether C25H28N2O9 500.17948 NA MeJP NA NA +PJ002929 CNQH C18H28N8O7S 500.1802 NA PeJP NA NA +MJ074095 11(19)-Havannachlorohydrin; O13-De-Ac C24H33ClO9 500.18131 NA MeJP NA NA +MJ074096 2,8,9,14-Tetrahydroxy-5,11-briaradien-18,7-olide, 16-Chloro, 11?,12?-epoxide, 2,14-di-Ac C24H33ClO9 500.18131 NA MeJP NA NA +MJ074097 6-Chloro-2,8,9,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 13?,14?-Epoxide, 2,12-di-Ac C24H33ClO9 500.18131 NA MeJP NA NA +MJ074098 Celesticetin; N,O7-Di-de-Me C22H32N2O9S 500.182851 NA MeJP NA NA +FL3FRNNP0007 Artonol C;9,12-Dihydro-6,10,15-trihydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthen-7-one C30H28O7 500.1835 186824-59-9 knapsack NA NA +MJ074099 Artonol C C30H28O7 500.183503 NA MeJP NA NA +MJ074100 Benastatin A C30H28O7 500.183503 NA MeJP NA NA +MJ074101 Euchretin D C30H28O7 500.183503 NA MeJP NA NA +MJ074102 Euchretin E C30H28O7 500.183503 NA MeJP NA NA +MJ074103 Leachianol F; 7-Epimer, 7-Et ether C30H28O7 500.183503 NA MeJP NA NA +MJ074104 Leachianol F; 7-Et ether C30H28O7 500.183503 NA MeJP NA NA +HMDB05036 Fluticasone C25H31F3O5S 500.184418 NA HMDB2010 NA NA +HMDB05036 Fluticasone C25H31F3O5S 500.18442 http://www.hmdb.ca/metabolites/HMDB05036 HMDB NA NA +HMDB05036 Fluticasone C25H31F3O5S 500.18442 HMDB05036 PFEM_hmdb_metabocards_official NA NA +MJ074105 Fluticasone; 17-Propanoyl C25H31F3O5S 500.184429 NA MeJP NA NA +PJ002930 SEEH C19H28N6O10 500.1867 NA PeJP NA NA +MJ074106 Gliflumide C25H29FN4O4S 500.189354 NA MeJP NA NA +MJ074107 3-(3-Hydroxypropyl)phthalide; O-Rutinoside C23H32O12 500.189376 NA MeJP NA NA +MJ074108 Arbutin; 2-O-[2E-Hexenoyl-(?5)-?-D-apiofuranosyl] C23H32O12 500.189376 NA MeJP NA NA +PJ002931 GDFY C24H28N4O8 500.1907 NA PeJP NA NA +PJ002932 STMY C21H32N4O8S 500.1941 NA PeJP NA NA +PJ002933 GSSNH C18H28N8O9 500.1979 NA PeJP NA NA +PJ002934 GGGSSH C18H28N8O9 500.198 NA PeJP NA NA +MJ074109 Maculalactone E; 4-Epimer, 5-ketone C34H28O4 500.198759 NA MeJP NA NA +MJ074110 1,6,9-Trihydroxydihydro-?-agarofuran, 6,9-Bis(3-furancarbonyl), 1-Ac C27H32O9 500.204632 NA MeJP NA NA +MJ074111 Antibiotic FR 900109 C27H32O9 500.204632 NA MeJP NA NA +MJ074112 Atalantin C27H32O9 500.204632 NA MeJP NA NA +MJ074113 Austin C27H32O9 500.204632 NA MeJP NA NA +MJ074114 Haperforin B1 C27H32O9 500.204632 NA MeJP NA NA +MJ074115 Isoaustin C27H32O9 500.204632 NA MeJP NA NA +MJ074116 Myrotoxin A C27H32O9 500.204632 NA MeJP NA NA +MJ074117 Oxokadsuranol; 2-(2-Methylbutanoyl) C27H32O9 500.204632 NA MeJP NA NA +MJ074118 Pedonin C27H32O9 500.204632 NA MeJP NA NA +MJ074119 Physodic acid; 4-Hydroxy, 3-Me ether C27H32O9 500.204632 NA MeJP NA NA +MJ074120 Pteronialactone; 3-Oxo C27H32O9 500.204632 NA MeJP NA NA +MJ074121 Trijugin B C27H32O9 500.204632 NA MeJP NA NA +MJ074122 Verrucarin A; 2',3'-Didehydro C27H32O9 500.204632 NA MeJP NA NA +MJ074123 Verrucarin B C27H32O9 500.204632 NA MeJP NA NA +MJ074124 Verrucarin J; 13'-Hydroxy C27H32O9 500.204632 NA MeJP NA NA +MJ074125 Verrucarin J; 16-Hydroxy C27H32O9 500.204632 NA MeJP NA NA +MJ074126 Verrucarin L C27H32O9 500.204632 NA MeJP NA NA +PJ002935 VDMH C20H32N6O7S 500.2053 NA PeJP NA NA +PJ002936 GGAPPC C20H32N6O7S 500.2054 NA PeJP NA NA +PJ002937 GMFF C25H32N4O5S 500.2094 NA PeJP NA NA +MJ074127 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 1-L-Aspartic acid, 16-L-isoleucine diamide C26H32N2O8 500.215866 NA MeJP NA NA +MJ074128 Di-4-coumaroylputrescine; 3',3'',5',5''-Tetramethoxy C26H32N2O8 500.215866 NA MeJP NA NA +MJ074129 Kopsidine A; 15-O-De-Me, O15-Et C26H32N2O8 500.215866 NA MeJP NA NA +MJ074130 Tritoqualine C26H32N2O8 500.215866 NA MeJP NA NA +PJ002938 CNKH C19H32N8O6S 500.2166 NA PeJP NA NA +MJ074131 Punaglandin 5; 17,18-Dihydro C25H37ClO8 500.217695 NA MeJP NA NA +CJneg0632 Dehydroepiandrosterone glucuronide [(M+Cl)]- C25H36ClO8 500.218225 C18rt(min)=8.2 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0632 Dehydroepiandrosterone glucuronide [(M+Cl)]- C25H36ClO8 500.218225 C18rt(min)=8.2 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +PJ002939 PQQE C20H32N6O9 500.2231 NA PeJP NA NA +PJ002940 AHHH C21H28N10O5 500.2244 NA PeJP NA NA +7932 synthetic peptide RYY 500.227 antioxidative Inhouse_peptide NA peptide +7935 synthetic peptide YRY 500.227 antioxidative Inhouse_peptide NA peptide +7938 synthetic peptide YYR 500.227 antioxidative Inhouse_peptide NA peptide +PJ002941 GVYY C25H32N4O7 500.2271 NA PeJP NA NA +MJ074132 Paraensidimerine B C30H32N2O5 500.231122 NA MeJP NA NA +MJ074133 Vinmegallate C30H32N2O5 500.231122 NA MeJP NA NA +MJ074134 Kanamycin C; 2-Hydroxy C18H36N4O12 500.232972 NA MeJP NA NA +PJ002942 PNDR C19H32N8O8 500.2343 NA PeJP NA NA +PJ002943 RYY C24H32N6O6 500.2383 NA PeJP NA NA +PJ002944 APQW C24H32N6O6 500.2384 NA PeJP NA NA +3125 fibronectin inhibitor RGDSPASSKP 500.23995 MH2+ Inhouse_peptide NA peptide +MJ074135 1,2,9-Trihydroxydihydro-?-agarofuran, 9-(2,3-Epoxycinnamoyl), 1,2-di-Ac C28H36O8 500.241018 NA MeJP NA NA +MJ074136 1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 9-Cinnamoyl, 1,6-di-Ac C28H36O8 500.241018 NA MeJP NA NA +MJ074137 14,15-Epoxy-3,5,19-trihydroxybufa-20,22-dienolide, 3,19-Di-Ac C28H36O8 500.241018 NA MeJP NA NA +MJ074138 3,4-Dihydroxy-19-norpregna-1,3,5(10),20-tetraen-6-one; 3-O-[4-Acetyl-6-deoxy-?-L-altropyranoside] C28H36O8 500.241018 NA MeJP NA NA +MJ074139 3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 3,5-Di-Ac C28H36O8 500.241018 NA MeJP NA NA +MJ074140 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(4-Hydroxybenzoyl) C28H36O8 500.241018 NA MeJP NA NA +MJ074141 Binankadsurin A; 7-Hexanoyl C28H36O8 500.241018 NA MeJP NA NA +MJ074142 Binankadsurin A; Me ether, 7-O-(2-methylbutanoyl) C28H36O8 500.241018 NA MeJP NA NA +MJ074143 Binankadsurin B; 7-Angeloyl C28H36O8 500.241018 NA MeJP NA NA +MJ074144 Bisvertinol; 2'',3''-Dihydro C28H36O8 500.241018 NA MeJP NA NA +MJ074145 Bisvertinol; 2',3'-Dihydro C28H36O8 500.241018 NA MeJP NA NA +MJ074146 Citreohybridone A; O15-De-Ac C28H36O8 500.241018 NA MeJP NA NA +MJ074147 Confluentic acid C28H36O8 500.241018 NA MeJP NA NA +MJ074148 Daphnetoxin; 21-Dephenyl, 21-(1,3-heptadienyl) C28H36O8 500.241018 NA MeJP NA NA +MJ074149 Isogomisin O; 3-O-De-Me, 7-hexanoyl C28H36O8 500.241018 NA MeJP NA NA +MJ074150 Jaborosalactone P; 4?-Hydroxy, 5?,6?-epoxide C28H36O8 500.241018 NA MeJP NA NA +MJ074151 Jaborosalactone U C28H36O8 500.241018 NA MeJP NA NA +MJ074152 Jaborotetrol; 6-Ketone C28H36O8 500.241018 NA MeJP NA NA +MJ074153 Khivorin; 7-Deacetoxy, 7-oxo, 3-de-Ac C28H36O8 500.241018 NA MeJP NA NA +MJ074154 Melianthusigenin C28H36O8 500.241018 NA MeJP NA NA +MJ074155 Schizandrin; 3'-O-De-Me, 3'-angeloyl C28H36O8 500.241018 NA MeJP NA NA +MJ074156 Schizandrin; 3'-O-De-Me, 3'-tigloyl C28H36O8 500.241018 NA MeJP NA NA +MJ074157 Uliginosin A C28H36O8 500.241018 NA MeJP NA NA +MJ074158 Withaperuvin E C28H36O8 500.241018 NA MeJP NA NA +PJ002945 TLMH C21H36N6O6S 500.2417 NA PeJP NA NA +7486 ACE inhibitor (fr,60-68 of bovine beta-casein) YPFPGPIPN 500.24345 MH2+ Inhouse_peptide NA peptide +MJ074159 Maytansinol; Dechloro, 4,5-deepoxy, 4,5-didehydro, N-de-Me C27H36N2O7 500.252251 NA MeJP NA NA +PJ002946 PQKE C21H36N6O8 500.2595 NA PeJP NA NA +2805 PEP inhibitor RPPPAQAPAP 500.265 MH2+ Inhouse_peptide NA peptide +MJ074160 Albothricin C20H36N8O7 500.270695 NA MeJP NA NA +PJ002947 PTQR C20H36N8O7 500.2707 NA PeJP NA NA +PJ002948 APKW C25H36N6O5 500.2747 NA PeJP NA NA +MJ074161 1,2,9-Trihydroxydihydro-?-agarofuran, 2-(2-Methylbutanoyl), 9-benzoyl, 1-Ac C29H40O7 500.277403 NA MeJP NA NA +MJ074162 18(13?17)-Abeo-6-chloro-16,22-epoxy-4,5-dihydroxy-1-oxoergosta-2,13,24-trien-26-oic acid, 6-Dechloro, 6?-hydroxy, Me ester C29H40O7 500.277403 NA MeJP NA NA +MJ074163 8-Daucene-4,6,10-triol, 6-(3,4-Dimethoxybenzoyl), 10-angeloyl C29H40O7 500.277403 NA MeJP NA NA +MJ074164 9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12-Tigloyl, 13-(2-methylpropanoyl) C29H40O7 500.277403 NA MeJP NA NA +MJ074165 Citreohybridone D; 15-Deacetyl, 15-Me ether C29H40O7 500.277403 NA MeJP NA NA +MJ074166 Desonide; 21-O-(2,2-Dimethylpropanoyl) C29H40O7 500.277403 NA MeJP NA NA +MJ074167 Fevicordin F; 22-Ketone C29H40O7 500.277403 NA MeJP NA NA +MJ074168 Hyperlatolic acid; Di-Me ether C29H40O7 500.277403 NA MeJP NA NA +MJ074169 Isocitreohybridone G C29H40O7 500.277403 NA MeJP NA NA +MJ074170 Isohyperlatolic acid; Di-Me ether C29H40O7 500.277403 NA MeJP NA NA +MJ074171 Micareic acid C29H40O7 500.277403 NA MeJP NA NA +MJ074172 Petuniolide A; 12-Ketone C29H40O7 500.277403 NA MeJP NA NA +MJ074173 Prasinic acid C29H40O7 500.277403 NA MeJP NA NA +2975 ACE inhibitor ALKAWSVAR 500.2845 MH2+ Inhouse_peptide NA peptide +MJ074174 Hennoxazole A; O2-De-Me C28H40N2O6 500.288637 NA MeJP NA NA +MJ074175 Hennoxazole F; 5',6'-Dihydro, 5'-hydroxy C28H40N2O6 500.288637 NA MeJP NA NA +MJ074176 Laprafylline C29H36N6O2 500.289974 NA MeJP NA NA +MJ074177 Fissistigmatin A; 4''-Deoxy, 4'',15''-didehydro C33H40O4 500.292659 NA MeJP NA NA +MJ074178 Plukenetione A C33H40O4 500.292659 NA MeJP NA NA +MJ074179 Plukenetione F C33H40O4 500.292659 NA MeJP NA NA +MJ074180 Plukenetione G C33H40O4 500.292659 NA MeJP NA NA +2575 tuftsin TKPR 500.294 immunomodulating Inhouse_peptide NA peptide +3027 kentsin TPRK 500.294 celiac toxic Inhouse_peptide NA peptide +3624 NA TRKP 500.294 ACE inhibitor Inhouse_peptide NA peptide +3739 NA TKRP 500.294 ACE inhibitor Inhouse_peptide NA peptide +PJ002949 PKKE C22H40N6O7 500.2959 NA PeJP NA NA +C11758 Mupirocin C26H44O9 500.2985 NA KEGG NA NA +C11759 Transferred to D01077 C26H44O9 500.2985 NA KEGG NA NA +MJ074181 12,16,17,19-Kauranetetrol, 19-O-?-D-Glucopyranoside C26H44O9 500.298533 NA MeJP NA NA +MJ074182 15-Pimarene-7,8,11,20-tetrol, 7-O-?-D-Glucopyranoside C26H44O9 500.298533 NA MeJP NA NA +MJ074183 3,13-Clerodadiene-6,15,16,19-tetrol, 19-O-?-D-Glucopyranoside C26H44O9 500.298533 NA MeJP NA NA +MJ074184 3,8(17)-Dolabelladiene-2,7,16,18-tetrol, 18-O-?-D-Glucopyranoside C26H44O9 500.298533 NA MeJP NA NA +MJ074185 3,8(17)-Dolabelladiene-2,7,16,18-tetrol, 7-O-?-D-Glucopyranoside C26H44O9 500.298533 NA MeJP NA NA +MJ074186 3,8-Dolabelladiene-2,7,16,18-tetrol, 7-O-?-D-Glucopyranoside C26H44O9 500.298533 NA MeJP NA NA +MJ074187 7-Pimarene-2,15,16,18-tetrol, 16-O-?-D-Glucopyranoside C26H44O9 500.298533 NA MeJP NA NA +MJ074188 7-Pimarene-3,15,16,18-tetrol, 16-O-?-D-Glucopyranoside C26H44O9 500.298533 NA MeJP NA NA +MJ074189 8(14)-Pimarene-2,3,15,16-tetrol, 16-O-?-D-Glucopyranoside C26H44O9 500.298533 NA MeJP NA NA +MJ074190 Pseudomonic acid A C26H44O9 500.298533 NA MeJP NA NA +MJ074191 Anorldianine; N27-Oxide C27H40N4O5 500.29987 NA MeJP NA NA +MJ074192 Disidein; 6'-Chloro C31H45ClO3 500.305723 NA MeJP NA NA +HMDB05770 Tuftsin C21H40N8O6 500.307068 NA HMDB2010 NA NA +HMDB05776 Kentsin C21H40N8O6 500.307068 NA HMDB2010 NA NA +HMDB05770 Tuftsin C21H40N8O6 500.30707 http://www.hmdb.ca/metabolites/HMDB05770 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05770 Tuftsin C21H40N8O6 500.30707 http://www.hmdb.ca/metabolites/HMDB05770 HMDB NA NA +HMDB05776 Kentsin C21H40N8O6 500.30707 http://www.hmdb.ca/metabolites/HMDB05776 HMDB NA NA +HMDB05770 Tuftsin C21H40N8O6 500.30707 NA ;SYN:(S)-2,4-diamino-Butanoic acid; L-2,4-diamino-Butyric acid; (S)-2,4-Diaminobutyric acid; L-2,4-Diamino-n-butyric acid; L-2,4-Diaminobutanoic acid; L-2,4-Diaminobutyric acid; L-DABA; L-alpha,gamma-Diaminobutyric acid; (S)-2,4-diamino-Butanoate; L-2,4-DiaminobutanoateH2Blood; Urine Inhouse_peptide NA peptide +HMDB05770 Tuftsin C21H40N8O6 500.30707 http://www.hmdb.ca/metabolites/HMDB05770 PFEM_hmdb_metabocards_blood NA blood +HMDB05770 Tuftsin C21H40N8O6 500.30707 HMDB05770 PFEM_hmdb_metabocards_official NA NA +HMDB05776 Kentsin C21H40N8O6 500.30707 HMDB05776 PFEM_hmdb_metabocards_official NA NA +MJ074193 Threonyllysylprolylarginine C21H40N8O6 500.307081 NA MeJP NA NA +MJ074194 Threonylprolylarginyllysine C21H40N8O6 500.307081 NA MeJP NA NA +PJ002950 PTKR C21H40N8O6 500.3071 NA PeJP NA NA +MJ074195 1,22-Dihydroxy-3,4-seco-4(23),20(29)-lupadien-3,11-olid-28-oic acid C30H44O6 500.313789 NA MeJP NA NA +MJ074196 1,3,11-Trihydroxy-7-oxolanosta-8,24-dien-26,23-olide C30H44O6 500.313789 NA MeJP NA NA +MJ074197 11,18:18,20:22,25-Triepoxy-24-methylfurostan-3-ol, 3-Ac C30H44O6 500.313789 NA MeJP NA NA +MJ074198 15,23-Dihydroxy-3,11-dioxolanosta-8,24-dien-26-oic acid C30H44O6 500.313789 NA MeJP NA NA +MJ074199 16,26-Dihydroxy-3,4-secolanosta-4(28),7,9(11),24-tetraene-3,21-dioic acid C30H44O6 500.313789 NA MeJP NA NA +MJ074200 2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,22-dione C30H44O6 500.313789 NA MeJP NA NA +MJ074201 2,3,16,20,25-Pentahydroxycucurbita-5,23-dien-22-one, 2,3-Diketone C30H44O6 500.313789 NA MeJP NA NA +MJ074202 2,3-Dihydroxy-12,18-oleanadiene-24,28-dioic acid C30H44O6 500.313789 NA MeJP NA NA +MJ074203 2,3-Dihydroxy-12,20-ursadiene-24,28-dioic acid C30H44O6 500.313789 NA MeJP NA NA +MJ074204 2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 2-Ketone C30H44O6 500.313789 NA MeJP NA NA +MJ074205 20,24-Epoxy-2,3,16-trihydroxycucurbita-5,23-diene-11,22-dione C30H44O6 500.313789 NA MeJP NA NA +MJ074206 20,24-Epoxy-3,16,25-trihydroxycucurbita-5,23-diene-11,22-dione C30H44O6 500.313789 NA MeJP NA NA +MJ074207 20-Hydroxy-23-oxo-2,3-secodammar-24-ene-2,11:3,1-diolide C30H44O6 500.313789 NA MeJP NA NA +MJ074208 3,12-Dihydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oic acid, Me ester C30H44O6 500.313789 NA MeJP NA NA +MJ074209 3,16,21,30-Tetrahydroxy-12-oleanen-28-oic acid, 30-Carboxylic acid, 28?21-lactone C30H44O6 500.313789 NA MeJP NA NA +MJ074210 3,6,19,23-Tetrahydroxy-12-ursen-28-oic acid, 6-Ketone, 23-aldehyde C30H44O6 500.313789 NA MeJP NA NA +MJ074211 3,7,15-Trihydroxy-11,23-dioxolanost-8-en-26-oic acid, 7-Deoxy, 3-ketone C30H44O6 500.313789 NA MeJP NA NA +MJ074212 3,7-Dihydroxy-11,15-dioxolanosta-8,24-dien-26-oic acid C30H44O6 500.313789 NA MeJP NA NA +MJ074213 3-Hydroxy-7-oxo-12-ursene-27,28-dioic acid C30H44O6 500.313789 NA MeJP NA NA +MJ074214 7,15,24-Trihydroxy-12-oleanene-3,11,22-trione C30H44O6 500.313789 NA MeJP NA NA +MJ074215 9,11-Dihydro-22,25-oxido-11-oxoholothurinogenin C30H44O6 500.313789 NA MeJP NA NA +MJ074216 Amphidinolide E C30H44O6 500.313789 NA MeJP NA NA +MJ074217 Chiisanogenin; 24-Hydroxy C30H44O6 500.313789 NA MeJP NA NA +MJ074218 Ericifolione C30H44O6 500.313789 NA MeJP NA NA +MJ074219 Officinalic acid C30H44O6 500.313789 NA MeJP NA NA +MJ074220 Physalolactone B C30H44O6 500.313789 NA MeJP NA NA +MJ074221 Sodagnitin E C30H44O6 500.313789 NA MeJP NA NA +MJ074222 Sodwanone A C30H44O6 500.313789 NA MeJP NA NA +MJ074223 Zosterdiol A; 1'-De-Me, 5-Ac C30H44O6 500.313789 NA MeJP NA NA +C08807 11-Deoxocucurbitacin I C30H44O6 500.3138 NA KEGG NA NA +PJ002951 GLRR C20H40N10O5 500.3183 NA PeJP NA NA +MJ074224 Aurantimycin D C24H44N4O7 500.320999 NA MeJP NA NA +MJ074225 Antibiotic M 9026; Antibiotic M 9026-2 C29H44N2O5 500.325022 NA MeJP NA NA +PJ002952 LLQK C23H44N6O6 500.3323 NA PeJP NA NA +MJ074226 Cholestane-3,4,6,7,8,15,16,26-octol C27H48O8 500.334918 NA MeJP NA NA +MJ074227 Adouetine X C28H44N4O4 500.336255 NA MeJP NA NA +MJ074228 Discarine E C28H44N4O4 500.336255 NA MeJP NA NA +MJ074229 Franganine C28H44N4O4 500.336255 NA MeJP NA NA +MJ074230 Frangulanine C28H44N4O4 500.336255 NA MeJP NA NA +C09993 Adouetine X C28H44N4O4 500.3363 NA KEGG NA NA +C10003 Frangulanine C28H44N4O4 500.3363 NA KEGG NA NA +PJ002953 VVKR C22H44N8O5 500.3435 NA PeJP NA NA +MJ074231 12-Hydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Hydroxybutanoyl) C31H48O5 500.350174 NA MeJP NA NA +MJ074232 2-Oxo-2,3-seco-12-oleanene-3,30-dioic acid; 3-Me ester C31H48O5 500.350174 NA MeJP NA NA +MJ074233 22,23-Dihydroxy-3-oxo-12-ursen-30-oic acid; 22?-form, Me ester C31H48O5 500.350174 NA MeJP NA NA +MJ074234 23-Norgorgost-5-ene-1,3,11-triol, 5?,6?-Epoxide, 1-ketone, 11-Ac C31H48O5 500.350174 NA MeJP NA NA +MJ074235 3,16,25-Trihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid C31H48O5 500.350174 NA MeJP NA NA +MJ074236 3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid, Me ester C31H48O5 500.350174 NA MeJP NA NA +MJ074237 3,25-Dihydroxyholost-9(11)-en-16-one, 25-Me ether C31H48O5 500.350174 NA MeJP NA NA +MJ074238 3-Hydroxy-12-oleanene-28,29-dioic acid, 28-Me ester C31H48O5 500.350174 NA MeJP NA NA +MJ074239 3-Hydroxy-12-oleanene-28,30-dioic acid, 30-Me ester C31H48O5 500.350174 NA MeJP NA NA +MJ074240 Acerinol; 25-Me ether C31H48O5 500.350174 NA MeJP NA NA +MJ074241 Cimiacerol; 23-Me ether C31H48O5 500.350174 NA MeJP NA NA +MJ074242 Holothurinogenin; 25-Methoxy C31H48O5 500.350174 NA MeJP NA NA +MJ074243 Jessic acid C31H48O5 500.350174 NA MeJP NA NA +MJ074244 Morinin A; 5'-Hexadecanoyloxy C31H48O5 500.350174 NA MeJP NA NA +MJ074245 Roxibolone; Decyl ester C31H48O5 500.350174 NA MeJP NA NA +MJ074246 Spiroveitchionolide C31H48O5 500.350174 NA MeJP NA NA +C15688 Vicenistatin C30H48N2O4 500.3614 NA KEGG NA NA +MJ074247 3,20-Diaminopregn-16-ene-2,4-diol, N20,N20-Di-Me, N3-tigloyl, 4-Ac C30H48N2O4 500.361408 NA MeJP NA NA +MJ074248 Vicenistatin aglycone; O-(2,4,6-Trideoxy-4-methylamino-?-D-ribo-hexopyranoside) C30H48N2O4 500.361408 NA MeJP NA NA +PJ002954 LLKK C24H48N6O5 500.3686 NA PeJP NA NA +MJ074249 Tetrahydro-4-hydroxy-6-(2,4,6-trihydroxyheneicosyl)-2H-pyran-2-one, 2'-Ac C28H52O7 500.371304 NA MeJP NA NA +MJ074250 1,3-Dihydroxy-24-methylenecycloartan-28-oic acid, Me ester C32H52O4 500.38656 NA MeJP NA NA +MJ074251 12-Oleanene-2,3,11-triol, 3-Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074252 12-Oleanene-3,11-diol, 11-Hydroperoxide, 3-Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074253 12-Ursene-1,3,11-triol, 3-Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074254 12-Ursene-2,3,11-triol, 3-Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074255 12-Ursene-3,11-diol, 11-Hydroperoxide, 3-Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074256 2-Alkyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 2-Heneicosyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one C32H52O4 500.38656 NA MeJP NA NA +MJ074257 20,24-Epoxydammarane-3,25-diol, 3-Ketone, 25-Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074258 20,25-Epoxydammarane-3,24-diol, 3-Ketone, 24-Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074259 20-Taraxastene-3,19-diol, 19-Hydroperoxide, 3-Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074260 20-Taraxastene-3,22-diol, 20?,21?-Epoxide, 3-Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074261 3,13-Dihydroxy-12-oleananone, 3-Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074262 3,14,21-Serratanetriol, 21-Ketone, 3-Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074263 3-Hydroxy-18,21-baccharanedione, Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074264 3-Hydroxy-27-friedelanal, 27-Carboxylic acid, Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074265 3-Hydroxy-28-oleananoic acid, Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074266 3-Hydroxycycloartan-21-oic acid; 3?-form, Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074267 5,19-Epoxycucurbita-6,23-diene-3,19,25-triol, 19,25-Di-Me ether C32H52O4 500.38656 NA MeJP NA NA +MJ074268 Cyclamiretin C; O30-Et (30?-) C32H52O4 500.38656 NA MeJP NA NA +MJ074269 Cyclamiretin C; O30-Et (30?-) C32H52O4 500.38656 NA MeJP NA NA +MJ074270 Dammar-24-ene-3,11,20-triol, 3-Ketone, 11-Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074271 Dammar-24-ene-3,12,20-triol, 3-Ketone, 12-Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074272 Dammara-12,24-diene-3,15,26-triol, 26-Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074273 Lanosta-8,23-diene-3,22,25-triol, 22-Ac C32H52O4 500.38656 NA MeJP NA NA +MJ074274 Polyporenic acid A; Me ester C32H52O4 500.38656 NA MeJP NA NA +C15379 3beta-Hydroxylanostane-7,11-dione acetate C32H52O4 500.3866 NA KEGG NA NA +MJ074275 3,20-Diaminopregn-5-en-15-ol, N3,N20,N20-Tri-Me, 18-(3,4-dimethylpent-2-enoyloxy) C31H52N2O3 500.397793 NA MeJP NA NA +MJ074276 3,20-Diaminopregnan-4-ol, N3,N20,N20-Tri-Me, N3-(3-methyl-2-butenoyl), O-Ac C31H52N2O3 500.397793 NA MeJP NA NA +MJ074277 3-(4-Hydroxyphenyl)-2-propenoic acid, Tetracosyl ester C33H56O3 500.422945 NA MeJP NA NA +MJ074278 Cycloartane-3,23,25-triol, 23,25-Isopropylidene C33H56O3 500.422945 NA MeJP NA NA +MJ074279 Cycloartane-3,24,25-triol, 24,25-Isopropylidene C33H56O3 500.422945 NA MeJP NA NA +MJ074280 Lanost-9(11)-ene-3,24,25-triol, 3-Me ether, acetaldehyde 24,25-cyclic acetal C33H56O3 500.422945 NA MeJP NA NA +MJ074281 24,25-Dimethyllanost-9(11)-ene-3,24-diol, Di-Me ether C34H60O2 500.459331 NA MeJP NA NA +MJ074282 5,9,23,27-Tetracontatetraenoic acid C34H60O2 500.459331 NA MeJP NA NA +7874 peptide from rice endosperm protein hydrolysate KHNRGDEF 500.7269 MH2+ Inhouse_peptide NA peptide +MJ074283 Aplysinamisine I C16H17Br2N5O4 500.964729 NA MeJP NA NA +MJ074284 Pseudoceratinine B C18H26Br2N5O2(+) 501.0375 NA MeJP NA NA +PJ002955 ACCCC C15H27N5O6S4 501.0844 NA PeJP NA NA +PJ002956 SSCCC C15H27N5O8S3 501.1022 NA PeJP NA NA +FL7ARXGL0007 5-Carboxypyranopelargonidin 3-O-beta-glucopyranoside C24H21O12 501.1033 680227-23-0 knapsack NA NA +MJ074285 Oganomycin G C17H23N7O7S2 501.110037 NA MeJP NA NA +C08123 Bacampicillin hydrochloride C21H27N3O7S 501.1336 NA KEGG NA NA +PJ002957 CCNY C19H27N5O7S2 501.1352 NA PeJP NA NA +MJ074286 Lamellarin H; 5,6-Dihydro, 9,13,20-tri-Me ether C28H23NO8 501.142366 NA MeJP NA NA +MJ074287 Lamellarin H; 5,6-Dihydro, 9,13,21-tri-Me ether C28H23NO8 501.142366 NA MeJP NA NA +MJ074288 Oxohernandaline C28H23NO8 501.142366 NA MeJP NA NA +MJ074289 Cysfluoretin C25H27NO8S 501.145737 NA MeJP NA NA +MJ074290 2-[[[5-Ethyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1,3,4-thiadiazol-2(3H)-ylidene]amino]carbonyl]-1-cyclopentene-1-carboxylic acid C25H23N7O3S 501.158308 NA MeJP NA NA +MJ074291 Stylopine, 8?-?-D-Glucopyranosyloxy C25H27NO10 501.163496 NA MeJP NA NA +MJ074292 ?1-Rhodomycinone; 10-O-(3-Amino-2,3,6-trideoxy-?-L-lyxo-hexopyranoside) C25H27NO10 501.163496 NA MeJP NA NA +PJ002958 CNEH C18H27N7O8S 501.1642 NA PeJP NA NA +PJ002959 GCHW C22H27N7O5S 501.1795 NA PeJP NA NA +MJ074293 Antibiotic U 71184 C30H23N5O3 501.180089 NA MeJP NA NA +PJ002960 GSSDH C18H27N7O10 501.182 NA PeJP NA NA +PJ002961 GPPCE C20H31N5O8S 501.1894 NA PeJP NA NA +MJ074294 Nuciferine, O2,N-Di-de-Me, N-ethoxycarbonyl, O2-glucopyranoside C26H31NO9 501.199881 NA MeJP NA NA +PJ002962 SQMH C19H31N7O7S 501.2006 NA PeJP NA NA +PJ002963 PPCW C24H31N5O5S 501.2046 NA PeJP NA NA +PJ002964 PQEE C20H31N5O10 501.2071 NA PeJP NA NA +PJ002965 SCHR C18H31N9O6S 501.2118 NA PeJP NA NA +HMDB04270 D-Glucosaminide C18H35N3O13 501.21698 http://www.hmdb.ca/metabolites/HMDB04270 HMDB NA NA +HMDB06578 Chitotriose C18H35N3O13 501.21698 http://www.hmdb.ca/metabolites/HMDB06578 HMDB NA NA +HMDB04270 D-Glucosaminide C18H35N3O13 501.21698 HMDB04270 PFEM_hmdb_metabocards_official NA NA +HMDB06578 Chitotriose C18H35N3O13 501.21698 HMDB06578 PFEM_hmdb_metabocards_official NA NA +HMDB04270 D-Glucosaminide C18H35N3O13 501.21698 NA HMDB2010 NA NA +HMDB06578 Chitotriose C18H35N3O13 501.21698 NA HMDB2010 NA NA +MJ074295 2-Amino-2-deoxy-?-D-glucopyranosyl-(1?3)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)-2-amino-2-deoxy-D-glucose C18H35N3O13 501.216988 NA MeJP NA NA +MJ074296 Antibiotic LL-BM 27? C18H35N3O13 501.216988 NA MeJP NA NA +MetaCyc03729 chitosan [β-1,4-Poly-D-glucosamine;] C18H35N3O13 501.216988 NA metacyc NA NA +PJ002966 GSTTH C19H31N7O9 501.2183 NA PeJP NA NA +PJ002967 PDDR C19H31N7O9 501.2184 NA PeJP NA NA +PJ002968 APEW C24H31N5O7 501.2224 NA PeJP NA NA +PJ002969 GPPTM C21H35N5O7S 501.2257 NA PeJP NA NA +PJ002970 AQHF C23H31N7O6 501.2336 NA PeJP NA NA +MJ074297 Bundlin A; 13-Ac C27H35NO8 501.236267 NA MeJP NA NA +MJ074298 Daphnezomine F C27H35NO8 501.236267 NA MeJP NA NA +MJ074299 Harringtonine; 5'-Deoxy, parent acid C27H35NO8 501.236267 NA MeJP NA NA +MJ074300 Harringtonine; Homologue (n = 1), 5'-deoxy C27H35NO8 501.236267 NA MeJP NA NA +PJ002971 SKMH C20H35N7O6S 501.237 NA PeJP NA NA +MJ074301 Neothricin C16H35N7O11 501.239454 NA MeJP NA NA +PJ002972 PKEE C21H35N5O9 501.2435 NA PeJP NA NA +MJ074302 Madumycin I C26H35N3O7 501.2475 NA MeJP NA NA +MJ074303 Plauracin C26H35N3O7 501.2475 NA MeJP NA NA +MJ074304 Pleuracin ML C26H35N3O7 501.2475 NA MeJP NA NA +MJ074305 Hetisine; O13-Cinnamoyl, 11-Ac C31H35NO5 501.251523 NA MeJP NA NA +PJ002973 PTER C20H35N7O8 501.2547 NA PeJP NA NA +PJ002974 GGGGAAL C20H35N7O8 501.2548 NA PeJP NA NA +MJ074306 Astin; Astin C, Bisdechloro C25H35N5O6 501.258733 NA MeJP NA NA +MJ074307 Pseudostellarin A C25H35N5O6 501.258733 NA MeJP NA NA +PJ002975 SPLW C25H35N5O6 501.2588 NA PeJP NA NA +PJ002976 AAPLM C22H39N5O6S 501.2621 NA PeJP NA NA +PJ002977 AQQR C19H35N9O7 501.266 NA PeJP NA NA +7351 celiac sprue gluten epitope found in omega-gliadin PQPQQPIPV 501.267 MH2+ Inhouse_peptide NA peptide +PJ002978 AKHF C24H35N7O5 501.27 NA PeJP NA NA +MJ074308 Antibiotic F 1839A; N-(3-Methoxycarbonylpropyl) C28H39NO7 501.272652 NA MeJP NA NA +MJ074309 Lobelanidine, O-?-D-Glucopyranoside C28H39NO7 501.272652 NA MeJP NA NA +MJ074310 Spirodihydrobenzofuranlactam I; 2?-Hydroxy, N-(4-carboxybutyl) C28H39NO7 501.272652 NA MeJP NA NA +PJ002979 PVMR C21H39N7O5S 501.2734 NA PeJP NA NA +PJ002980 GNRR C18H35N11O6 501.2772 NA PeJP NA NA +PJ002981 LLQE C22H39N5O8 501.2799 NA PeJP NA NA +EUR840 Lyso PE 18:1 [M+Na]+ C23H46NO7P 501.283138 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR840 Lyso PE 18:1 [M+Na]+ C23H46NO7P 501.283138 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR840 Lyso PE 18:1 [M+Na]+ C23H46NO7P 501.283138 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR840 Lyso PE 18:1 [M+Na]+ C23H46NO7P 501.283138 masses lipides attendues Inhousejuil11 NA NA +MJ074311 2-Aminoethylphosphocholate C25H44NO7P 501.285539 NA MeJP NA NA +EUR746 Lyso PC 18:4 [M-H-CH3]- C26H46NO7P 501.285542 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR879 Lyso PE 20:4 monoisotopic mass C25H44NO7P 501.285542 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR746 Lyso PC 18:4 [M-H-CH3]- C26H46NO7P 501.285542 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR879 Lyso PE 20:4 monoisotopic mass C25H44NO7P 501.285542 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR746 Lyso PC 18:4 [M-H-CH3]- C26H46NO7P 501.285542 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR879 Lyso PE 20:4 monoisotopic mass C25H44NO7P 501.285542 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR746 Lyso PC 18:4 [M-H-CH3]- C26H46NO7P 501.285542 masses lipides attendues Inhousejuil11 NA NA +EUR879 Lyso PE 20:4 monoisotopic mass C25H44NO7P 501.285542 masses lipides attendues Inhousejuil11 NA NA +HMDB11487 LysoPE(0:0/20:4(5Z,8Z,11Z,14Z)) C25H44NO7P 501.285553 NA HMDB2010 NA NA +HMDB11488 LysoPE(0:0/20:4(8Z,11Z,14Z,17Z)) C25H44NO7P 501.285553 NA HMDB2010 NA NA +HMDB11517 LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0) C25H44NO7P 501.285553 NA HMDB2010 NA NA +HMDB11518 LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0) C25H44NO7P 501.285553 NA HMDB2010 NA NA +HMDB05030 Fexofenadine C32H39NO4 501.2879 http://www.hmdb.ca/metabolites/HMDB05030 HMDB NA NA +C06999 Fexofenadine C32H39NO4 501.2879 NA KEGG NA NA +C07000 Transferred to D00321 C32H39NO4 501.2879 NA KEGG NA NA +HMDB05030 Fexofenadine C32H39NO4 501.2879 HMDB05030 PFEM_hmdb_metabocards_official NA NA +HMDB05030 Fexofenadine C32H39NO4 501.287903 NA HMDB2010 NA NA +MJ074312 Aflatrem C32H39NO4 501.287908 NA MeJP NA NA +MJ074313 Fexofenadine C32H39NO4 501.287908 NA MeJP NA NA +MJ074314 Paspalinine; 4-(3-Methyl-2-butenyl) C32H39NO4 501.287908 NA MeJP NA NA +MJ074315 Paspalitrem A C32H39NO4 501.287908 NA MeJP NA NA +PJ002982 VVER C21H39N7O7 501.2911 NA PeJP NA NA +MJ074316 Avasimibe C29H43NO4S 501.291279 NA MeJP NA NA +PJ002983 ALLW C26H39N5O5 501.2951 NA PeJP NA NA +PJ002984 AQKR C20H39N9O6 501.3024 NA PeJP NA NA +MJ074317 Delaminomycin A C29H43NO6 501.309038 NA MeJP NA NA +PJ002985 LLKE C23H43N5O7 501.3163 NA PeJP NA NA +MJ074318 Beauverolide D C28H43N3O5 501.320271 NA MeJP NA NA +PJ002986 TLLR C22H43N7O6 501.3275 NA PeJP NA NA +PJ002987 AKKR C21H43N9O5 501.3387 NA PeJP NA NA +MJ074319 Ambruticin VS 5; N,N-Di-Me C30H47NO5 501.345423 NA MeJP NA NA +MJ074320 Vicenistatin aglycone; O-(2,6-Dideoxy-3-C-methyl-?-D-ribo-hexopyranoside) C30H47NO5 501.345423 NA MeJP NA NA +PJ002988 VKKK C23H47N7O5 501.3639 NA PeJP NA NA +MJ074321 Calcium hydroxide phosphate (Ca5(OH)(PO4)3); Mineral-form Ca5HO13P3 501.675955 NA MeJP NA NA +C18143 Perfluorooctylsulfonyl fluoride C8F18O2S 501.9332 NA KEGG NA NA +C18144 Metiram C8F18O2S 501.9332 NA KEGG NA NA +MJ074322 Dakaramine C15H24I2N2O 501.9978 NA MeJP NA NA +MJ074323 6,6'-Ethylidenebis[2,3,5,7,8-pentahydroxy-1,4-naphthoquinone] C22H14O14 502.038355 NA MeJP NA NA +MJ074324 Bazzanin K C29H20Cl2O4 502.073864 NA MeJP NA NA +MJ074325 Garciduol A; 3''-Hydroxy C27H18O10 502.089996 NA MeJP NA NA +MJ074326 Cloxestradiol; O,O-Di-Ac C24H29Cl3O5 502.108057 NA MeJP NA NA +C16191 Malonyldaidzin C24H22O12 502.1111 NA KEGG NA NA +FL3FAAGS0042 Apigenin 7-(2''-acetyl-6''-methylglucuronide) C24H22O12 502.11112 137162-04-0 knapsack NA NA +MJ074327 1,8-Dihydroxy-3-methylanthraquinone; 8-O-(6-O-Malonyl-?-D-glucopyranoside) C24H22O12 502.111126 NA MeJP NA NA +MJ074328 4',5,7-Trihydroxyflavone; 7-O-(2-O-Acetyl-6-O-methyl-?-D-glucuronopyranoside) C24H22O12 502.111126 NA MeJP NA NA +MJ074329 4',7-Dihydroxyisoflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) C24H22O12 502.111126 NA MeJP NA NA +MJ074330 5,7-Dihydroxyflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) C24H22O12 502.111126 NA MeJP NA NA +MJ074331 6,7-Dihydroxy-2H-1-benzopyran-2-one; 6-O-[?-D-Glucopyranosyl-(?3)-3,4-dihydroxycinnamoyl] C24H22O12 502.111126 NA MeJP NA NA +MJ074332 Chicoric acid, 3,3'-Di-Me ether C24H22O12 502.111126 NA MeJP NA NA +MJ074333 Puerarin; 6''-O-Malonyl C24H22O12 502.111126 NA MeJP NA NA +MJ074334 Pyranocyanin B; 5'-Hydroxy C24H23O12(+) 502.111126 NA MeJP NA NA +MetaCyc03730 malonyldaidzin [] C24H22O12 502.111126 NA metacyc NA NA +PJ002989 CCDY C19H26N4O8S2 502.1192 NA PeJP NA NA +MJ074335 Haematocin C24H26N2O6S2 502.123227 NA MeJP NA NA +MJ074336 Ustilaginoidin F C28H22O9 502.126382 NA MeJP NA NA +C10989 Fluvalinate C26H22ClF3N2O3 502.1271 NA KEGG NA NA +MJ074337 3,7-Dihydroxy-4H-1-benzopyran-4-one; Di-O-?-D-glucopyranoside C21H26O14 502.132255 NA MeJP NA NA +MJ074338 7,8-Dihydroxy-2H-1-benzopyran-2-one; 7,8-Di-O-?-D-glucopyranoside C21H26O14 502.132255 NA MeJP NA NA +MJ074339 Viburnolide C C21H26O14 502.132255 NA MeJP NA NA +PJ002990 CCMF C20H30N4O5S3 502.1379 NA PeJP NA NA +MJ074340 5-[[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-3-phenyl-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one C22H20F6N4O3 502.143959 NA MeJP NA NA +MJ074341 Bistratamide C C22H26N6O4S2 502.145694 NA MeJP NA NA +MJ074342 4',5,7-Trihydroxyflavone; 7-O-?-D-Glucuronopyranoside, butyl ester C25H26O11 502.147511 NA MeJP NA NA +MJ074343 Gentiopicroside; 2'-(4-Hydroxycinnamoyl)(E-) C25H26O11 502.147511 NA MeJP NA NA +PJ002991 CDEH C18H26N6O9S 502.1482 NA PeJP NA NA +MJ074344 3-Deoxy-?-D-manno-2-octulopyranosonosyl-(2?2)-?-D-ribofuranosyl-(1?2)-D-ribose C18H30O16 502.153384 NA MeJP NA NA +MJ074345 3-Deoxy-?-D-manno-2-octulopyranosonosyl-(2?3)-[?-D-ribofuranosyl-(1?2)]-D-ribose C18H30O16 502.153384 NA MeJP NA NA +MJ074346 ?-D-Galactopyranosyl-(1?4)-[?-D-glucopyranuronosyl-(1?3)]-L-rhamnose C18H30O16 502.153384 NA MeJP NA NA +MJ074347 ?-L-Rhamnopyranosyl-(1?3)-[?-D-glucopyranuronosyl-(1?2)]-D-mannose C18H30O16 502.153384 NA MeJP NA NA +C12082 alpha-L-Rhamnopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta- C18H30O16 502.1534 NA KEGG NA NA +PJ002992 SCMY C20H30N4O7S2 502.1556 NA PeJP NA NA +FL1C1LNI0004 Demethoxyisogemichalcone C;3'-(4-Coumaroyloxy-3-methylbutyl-2(E)-enyl)-2,4,2',4'-tetrahydroxychalcone C29H26O8 502.16276 376362-05-9 knapsack NA NA +MJ074348 Antibiotic TAN 1532B; 5,6-Didehydro C29H26O8 502.162767 NA MeJP NA NA +MJ074349 Adozelesin C30H22N4O4 502.164105 NA MeJP NA NA +MJ074350 Phenazostatin C C30H22N4O4 502.164105 NA MeJP NA NA +MJ074351 Sucrose; 6-O-(4-Methoxycinnamoyl)(E-) C22H30O13 502.168641 NA MeJP NA NA +MJ074352 Ussurienoside I; O-De-Me C22H30O13 502.168641 NA MeJP NA NA +FL2FAAGI0002 Phellodensin F;Flavaprin;5,7,4'-Trihydroxy-8-C-prenylflavanone 7-glucoside C26H30O10 502.18389 53846-49-4 knapsack NA NA +MJ074353 4',5,7-Trihydroxy-8-prenylflavanone, 7-O-?-D-Glucopyranoside C26H30O10 502.183897 NA MeJP NA NA +MJ074354 Glaucin A C26H30O10 502.183897 NA MeJP NA NA +MJ074355 Limonexic acid C26H30O10 502.183897 NA MeJP NA NA +MJ074356 Phebalarin C26H30O10 502.183897 NA MeJP NA NA +PJ002993 SEMH C19H30N6O8S 502.1846 NA PeJP NA NA +PJ002994 ACFY C24H30N4O6S 502.1886 NA PeJP NA NA +MJ074357 Asterriquinone D; 6',6''-Bis(3-methyl-1,3-butadienyl)(E,E-), di-O-de-Me C32H26N2O4 502.189257 NA MeJP NA NA +HMDB06598 Isoglobotriaose C19H34O15 502.189758 NA HMDB2010 NA NA +HMDB06598 Isoglobotriaose C19H34O15 502.18976 http://www.hmdb.ca/metabolites/HMDB06598 HMDB NA NA +HMDB06598 Isoglobotriaose C19H34O15 502.18976 HMDB06598 PFEM_hmdb_metabocards_official NA NA +PJ002995 PEEE C20H30N4O11 502.1911 NA PeJP NA NA +MJ074358 Myxothiazole; Parent acid, Me ester C26H34N2O4S2 502.195998 NA MeJP NA NA +C15675 Myxothiazol Z C26H34N2O4S2 502.196 NA KEGG NA NA +FL3FALNP0010 Cycloheterophyllin C30H30O7 502.19915 36545-53-6 knapsack NA NA +FL3FQUNR0001 Artonin O;5,6-Dihydro-3,8,10-trihydroxy-2,9-bis(3-methyl-2-butenyl)-5-(1-methylethenyl)-1H-benzo[c]xanthene-1,4,7-trione C30H30O7 502.19915 151652-48-1 knapsack NA NA +FL3FRNND0002 Artonin M; 5a,6-Dihydro-1,3,8-trihydroxy-5,11,11-trimethyl-5-(4-methyl-3-pentenyl)-5H,7H,11H-benzofuro[3,4-bc]pyrano[2,3-i]xanthen-7-one C30H30O7 502.19915 151627-66-6 knapsack NA NA +FL3FRNND0005 Artonin F; 5a,6-Dihydro-1,3,8-trihydroxy-5,5,11,11-tetramethyl-9-(3-methyl-2-butenyl)-5H,7H,11H-benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one C30H30O7 502.19915 129683-94-9 knapsack NA NA +FL3FRNNP0006 Artonin N;6,7-Dihydro-5,9,11,14-tetrahydroxy-3,3-dimethyl-10-(3-methyl-2-butenyl)-6-(1-methylethenyl)-3H,8H-[1]benzopyrano[7,6-c]xanthen-8-one C30H30O7 502.19915 151606-36-9 knapsack NA NA +FLIG1LNP0002 Euchretin A C30H30O7 502.19915 119459-83-5 knapsack NA NA +MJ074359 5-(3-Carboxybenzoyl)-2-[[6-(4-methoxyphenyl)-5-hexenyl]oxy]benzenepropanoic acid C30H30O7 502.199153 NA MeJP NA NA +MJ074360 Arenarin B; 6-Me ether C30H30O7 502.199153 NA MeJP NA NA +MJ074361 Artonin A C30H30O7 502.199153 NA MeJP NA NA +MJ074362 Artonin B C30H30O7 502.199153 NA MeJP NA NA +MJ074363 Artonin F C30H30O7 502.199153 NA MeJP NA NA +MJ074364 Artonin M C30H30O7 502.199153 NA MeJP NA NA +MJ074365 Artonin N C30H30O7 502.199153 NA MeJP NA NA +MJ074366 Artonin O C30H30O7 502.199153 NA MeJP NA NA +MJ074367 Benastatin A; 5,6-Dihydro C30H30O7 502.199153 NA MeJP NA NA +MJ074368 Brevitaxin C30H30O7 502.199153 NA MeJP NA NA +MJ074369 Cycloheterophyllin C30H30O7 502.199153 NA MeJP NA NA +MJ074370 Euchretin A C30H30O7 502.199153 NA MeJP NA NA +MJ074371 Euchretin I C30H30O7 502.199153 NA MeJP NA NA +MJ074372 Gochnatiolide A C30H30O7 502.199153 NA MeJP NA NA +MJ074373 Gochnatiolide B C30H30O7 502.199153 NA MeJP NA NA +MJ074374 Isocycloheterophyllin C30H30O7 502.199153 NA MeJP NA NA +MJ074375 Paleatin A; 7-Methoxy C30H30O7 502.199153 NA MeJP NA NA +PJ002996 PCHF C23H30N6O5S 502.1999 NA PeJP NA NA +MJ074376 2-Amino-2-deoxy-?-D-glucopyranosyl-(1?2)-[2-amino-2-deoxy-?-D-glucopyranosyl-(1?4)]-D-mannose C18H34N2O14 502.201003 NA MeJP NA NA +MJ074377 2-Amino-2-deoxy-?-D-glucopyranosyl-(1?2)-[2-amino-2-deoxy-?-D-glucopyranosyl-(1?6)]-D-mannose C18H34N2O14 502.201003 NA MeJP NA NA +MJ074378 2-Amino-2-deoxy-?-D-glucopyranosyl-(1?3)-[2-amino-2-deoxy-?-D-glucopyranosyl-(1?6)]-D-mannose C18H34N2O14 502.201003 NA MeJP NA NA +MJ074379 2-Amino-2-deoxy-?-D-glucopyranosyl-(1?3)-[?-D-galactopyranosyl-(1?4)]-2-amino-2-deoxy-D-mannose C18H34N2O14 502.201003 NA MeJP NA NA +MJ074380 2-Amino-2-deoxy-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-?-D-galactopyranosyl-(1?3)-D-galactose C18H34N2O14 502.201003 NA MeJP NA NA +MJ074381 2-Amino-2-deoxy-?-D-galactopyranosyl-(1?3)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-glucose C18H34N2O14 502.201003 NA MeJP NA NA +MJ074382 ?-D-Galactopyranosyl-(1?3)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)-2-amino-2-deoxy-D-galactose C18H34N2O14 502.201003 NA MeJP NA NA +MJ074383 ?-D-Mannopyranosyl-(1?4)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?4)-2-amino-2-deoxy-D-glucose C18H34N2O14 502.201003 NA MeJP NA NA +PJ002997 GSPNE C19H30N6O10 502.2024 NA PeJP NA NA +PJ002998 CLMH C20H34N6O5S2 502.2032 NA PeJP NA NA +PJ002999 GTYY C24H30N4O8 502.2064 NA PeJP NA NA +MJ074384 Phenylbutazone trimethylgallate C29H30N2O6 502.210386 NA MeJP NA NA +MJ074385 Jaborochlorodiol C28H35ClO6 502.212216 NA MeJP NA NA +3580 NA VQGEESNDK 502.2134 MH2+ Inhouse_peptide NA peptide +PJ003000 NNQQ C18H30N8O9 502.2136 NA PeJP NA NA +PJ003001 SPNW C23H30N6O7 502.2176 NA PeJP NA NA +FL5FECNI0002 Geranioloxyalatum flavone;3,5-Dihydroxy-2-[3-hydroxy-4-[(7-hydroxy-3,7-dimethyloctyl)oxy]phenyl]-6,7-dimethoxy-4H-1-benzopyran-4-one C27H34O9 502.22028 252351-60-3 knapsack NA NA +MJ074386 3,3',4',5-Tetrahydroxy-6,7-dimethoxyflavone; 4'-O-(7?-Hydroxy-3?,7-dimethyloctyl) C27H34O9 502.220282 NA MeJP NA NA +MJ074387 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[2-(2-Hydroxymethyl-2E-butenoyloxy)methyl-2E-butenoyl], 3-Ac C27H34O9 502.220282 NA MeJP NA NA +MJ074388 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[4-Hydroxy-2-(tigloyloxymethyl)-2E-butenoyl], 3-Ac C27H34O9 502.220282 NA MeJP NA NA +MJ074389 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[2-(2-Hydroxymethyl-2E-butenoyloxy)methyl-2E-butenoyl], 3-Ac C27H34O9 502.220282 NA MeJP NA NA +MJ074390 Aurovertin B; O-Ac C27H34O9 502.220282 NA MeJP NA NA +MJ074391 Cedrodorin C27H34O9 502.220282 NA MeJP NA NA +MJ074392 Cyclocalamin C27H34O9 502.220282 NA MeJP NA NA +MJ074393 Guanepolide C27H34O9 502.220282 NA MeJP NA NA +MJ074394 Khayalactone C27H34O9 502.220282 NA MeJP NA NA +MJ074395 Pteronialactone; 3?-Hydroxy C27H34O9 502.220282 NA MeJP NA NA +MJ074396 Verrucarin A C27H34O9 502.220282 NA MeJP NA NA +C09746 Verrucarin A C27H34O9 502.2203 NA KEGG NA NA +PJ003002 PQQM C20H34N6O7S 502.221 NA PeJP NA NA +MJ074397 1-(8-Amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-[3-(3,4-dimethoxyphenyl)propyl]-4-piperidinyl]-1-propanone C27H35ClN2O5 502.223449 NA MeJP NA NA +MJ074398 Syndyphalin C25H34N4O5S 502.22499 NA MeJP NA NA +PJ003003 PCQR C19H34N8O6S 502.2322 NA PeJP NA NA +CJneg0633 Androsterone glucuronide [(M+Cl)]- C25H38ClO8 502.233925 C18rt(min)=8.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0633 Androsterone glucuronide [(M+Cl)]- C25H38ClO8 502.233925 C18rt(min)=8.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ074399 Euchrenone b12 C31H34O6 502.235538 NA MeJP NA NA +MJ074400 Euchrenone b16; 2'-Me ether C31H34O6 502.235538 NA MeJP NA NA +MJ074401 Shizukaol A C31H34O6 502.235538 NA MeJP NA NA +MJ074402 Amcinonide C28H35FO7 502.236681 NA MeJP NA NA +PJ003004 VQQE C20H34N6O9 502.2387 NA PeJP NA NA +PJ003005 GGLQE C20H34N6O9 502.2388 NA PeJP NA NA +MJ074403 4,7-Megastigmadiene-3,9-diol, 3-Ketone, 9-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C24H38O11 502.241412 NA MeJP NA NA +MJ074404 4,7-Megastigmadiene-3,9-diol, 3-Ketone, 9-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C24H38O11 502.241412 NA MeJP NA NA +MJ074405 4,7-Megastigmadiene-3,9-diol, 3-Ketone, 9-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C24H38O11 502.241412 NA MeJP NA NA +MJ074406 4,7-Megastigmadiene-3,9-diol, 3-Ketone, 9-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C24H38O11 502.241412 NA MeJP NA NA +MJ074407 4,7-Megastigmadiene-3,9-diol, 3-Ketone, 9-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C24H38O11 502.241412 NA MeJP NA NA +MJ074408 20-Hydroxycylindrocarine; N-Cinnamoyl C30H34N2O5 502.246772 NA MeJP NA NA +MJ074409 Tetraphyllicine; O-(3,4,5-Trimethoxybenzoyl) C30H34N2O5 502.246772 NA MeJP NA NA +MJ074410 Lavendothricin; Lavendothricin F C19H34N8O8 502.24996 NA MeJP NA NA +MJ074411 Streptothricin; Streptothricin F C19H34N8O8 502.24996 NA MeJP NA NA +PJ003006 AQER C19H34N8O8 502.25 NA PeJP NA NA +3298 NA HHPL 502.252 celiac toxic Inhouse_peptide NA peptide +3299 NA LHPH 502.252 celiac toxic Inhouse_peptide NA peptide +3303 NA HPLH 502.252 celiac toxic Inhouse_peptide NA peptide +3306 NA HPHL 502.252 celiac toxic Inhouse_peptide NA peptide +3308 NA HHLP 502.252 celiac toxic Inhouse_peptide NA peptide +3313 NA PLHH 502.252 celiac toxic Inhouse_peptide NA peptide +3315 NA HLHP 502.252 celiac toxic Inhouse_peptide NA peptide +3316 NA HLPH 502.252 celiac toxic Inhouse_peptide NA peptide +3318 NA LPHH 502.252 celiac toxic Inhouse_peptide NA peptide +PJ003007 GLQW C24H34N6O6 502.254 NA PeJP NA NA +7400 celiac sprue gluten epitope found in secalin PQPQQPTPI 502.2565 MH2+ Inhouse_peptide NA peptide +MJ074412 11-Hydroxy-4,5-secoeudesmane-4,5-dione; O-(2-O-Acetyl-?-D-fucopyranoside) C28H38O8 502.256668 NA MeJP NA NA +MJ074413 18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 2-(Methylpropenoyl), 18,19-di-Ac C28H38O8 502.256668 NA MeJP NA NA +MJ074414 2,6,10,14-Phytatetraene-1,16-diol, Difumaroyl C28H38O8 502.256668 NA MeJP NA NA +MJ074415 22-Deacetylyanuthone A; 15-Ketone, 22-O-(4-carboxy-3-hydroxy-3-methylbutanoyl) C28H38O8 502.256668 NA MeJP NA NA +MJ074416 4,14,17,20-Tetrahydroxy-1-oxowitha-2,5,24-trienolide, 28-Hydroxy C28H38O8 502.256668 NA MeJP NA NA +MJ074417 5,6:14,15-Diepoxy-3,4,27-trihydroxy-1-oxowith-24-enolide C28H38O8 502.256668 NA MeJP NA NA +MJ074418 Ixocarpalactone B C28H38O8 502.256668 NA MeJP NA NA +MJ074419 Jaborosalactone P; 5?,6?-Dihydroxy, 5,6-dihydro C28H38O8 502.256668 NA MeJP NA NA +MJ074420 Jaborosalactone S C28H38O8 502.256668 NA MeJP NA NA +MJ074421 Jaborotetrol C28H38O8 502.256668 NA MeJP NA NA +MJ074422 Macrolactin A; 16,17-Dihydro, 15-ketone, 7-O-(3-carboxypropanoyl) C28H38O8 502.256668 NA MeJP NA NA +MJ074423 Macrolactin A; 7-O-(3-Carboxypropanoyl) C28H38O8 502.256668 NA MeJP NA NA +MJ074424 Withajardin A; 5?,6?-Epoxide C28H38O8 502.256668 NA MeJP NA NA +MJ074425 Withanolide E; 28-Hydroxy C28H38O8 502.256668 NA MeJP NA NA +MJ074426 Withanolide E; 4?-Hydroxy C28H38O8 502.256668 NA MeJP NA NA +MJ074427 Withaperuvin C; 28-Hydroxy C28H38O8 502.256668 NA MeJP NA NA +MJ074428 Withaperuvin F C28H38O8 502.256668 NA MeJP NA NA +MJ074429 Withaperuvin G C28H38O8 502.256668 NA MeJP NA NA +PJ003008 PQKM C21H38N6O6S 502.2574 NA PeJP NA NA +2974 LVV-hemorphin-5 LVVYPWTQ 502.2595 MH2+ Inhouse_peptide NA peptide +PJ003009 GDRR C18H34N10O7 502.2612 NA PeJP NA NA +MJ074430 Fusarinine A C22H38N4O9 502.263878 NA MeJP NA NA +MetaCyc03731 rhizobactin 1021 [(E)-4-[[3-(acetylhydroxyamino)propyl]-amino]-2-hydroxy-2-[2-[3-[hydroxy(1-oxo-2-decenyl)amino]propyl]amino]-2-oxoethyl]-4-oxobutanoic acid;] C22H38N4O9 502.263879 NA metacyc NA NA +PJ003010 LLEE C22H38N4O9 502.2639 NA PeJP NA NA +PJ003011 AARW C23H34N8O5 502.2652 NA PeJP NA NA +PJ003012 PCKR C20H38N8O5S 502.2686 NA PeJP NA NA +PJ003013 VQKE C21H38N6O8 502.2751 NA PeJP NA NA +MJ074431 Antibiotic NA 22598A1 C20H38N8O7 502.286345 NA MeJP NA NA +PJ003014 AKER C20H38N8O7 502.2864 NA PeJP NA NA +PJ003015 GLKW C25H38N6O5 502.2904 NA PeJP NA NA +MJ074432 18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 6-Deoxy, 2-(2-methylbutanoyl), 18,19-di-Ac C29H42O7 502.293053 NA MeJP NA NA +MJ074433 3,14-Dihydroxycarda-4,20(22)-dienolide, 3-O-(2,6-Dideoxy-?-D-ribo-hexopyranoside) C29H42O7 502.293053 NA MeJP NA NA +MJ074434 3,14-Dihydroxycarda-4,20(22)-dienolide, 3-O-(2,6-Dideoxy-xylo-hexopyranoside) C29H42O7 502.293053 NA MeJP NA NA +MJ074435 3,14-Dihydroxycarda-5,20(22)-dienolide, 3-O-(2,6-Dideoxy-?-D-arabino-hexopyranoside) C29H42O7 502.293053 NA MeJP NA NA +MJ074436 9,13-Epoxy-7,14-labdadiene-2,3,20-triol, 2-Angeloyl, 3,20-di-Ac C29H42O7 502.293053 NA MeJP NA NA +MJ074437 Deacylantibiotic NF 00659 A; 3-Ac C29H42O7 502.293053 NA MeJP NA NA +MJ074438 Isogosterone C; 22-De-Ac, 22-ketone C29H42O7 502.293053 NA MeJP NA NA +MJ074439 Petuniolide F C29H42O7 502.293053 NA MeJP NA NA +MJ074440 Spirofungin A C29H42O7 502.293053 NA MeJP NA NA +PJ003016 PKKM C22H42N6O5S 502.2938 NA PeJP NA NA +PJ003017 ATRR C19H38N10O6 502.2976 NA PeJP NA NA +C09948 Kolanone C33H42O4 502.3083 NA KEGG NA NA +MJ074441 Clusianone C33H42O4 502.308309 NA MeJP NA NA +MJ074442 Hilarianone C33H42O4 502.308309 NA MeJP NA NA +MJ074443 Nemorosone C33H42O4 502.308309 NA MeJP NA NA +MJ074444 Plukenetione D C33H42O4 502.308309 NA MeJP NA NA +MJ074445 Plukenetione G; 3,4-Dihydro C33H42O4 502.308309 NA MeJP NA NA +MJ074446 Weddellianone A C33H42O4 502.308309 NA MeJP NA NA +PJ003018 VKKE C22H42N6O7 502.3115 NA PeJP NA NA +MJ074447 27-Norcholestane-3,4,5,6,7,8,14,15,24-nonol C26H46O9 502.314183 NA MeJP NA NA +PJ003019 SLKR C21H42N8O6 502.3228 NA PeJP NA NA +C15622 GW 7647 C29H46N2O3S 502.3229 NA KEGG NA NA +MJ074448 2-[[4-[2-[[(Cyclohexylamino)carbonyl](4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-2-methylpropanoic acid C29H46N2O3S 502.322914 NA MeJP NA NA +MJ074449 Phenylalanylisoleucylargininal; NPhe-(3-Methylbutanoyl) C26H42N6O4 502.326753 NA MeJP NA NA +MJ074450 1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid, 2-Ketone C30H46O6 502.329439 NA MeJP NA NA +MJ074451 1,2,3,24-Tetrahydroxy-12,20(30)-ursadien-28-oic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074452 1,3,11-Trihydroxy-7-oxolanosta-8,24-dien-29-oic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074453 11,12-Epoxy-2,3,23-trihydroxy-28,13-oleananolide C30H46O6 502.329439 NA MeJP NA NA +MJ074454 12,13-Epoxy-2,3,21,22-tetrahydroxy-30-oleananoic acid, 30?22 Lactone C30H46O6 502.329439 NA MeJP NA NA +MJ074455 12,16-Dihydroxy-24-methyl-24-oxo-25-scalaranal, Di-Ac C30H46O6 502.329439 NA MeJP NA NA +MJ074456 13,28-Epoxy-2,3,16,22-tetrahydroxy-30-oleananoic acid, 30?22 Lactone C30H46O6 502.329439 NA MeJP NA NA +MJ074457 15,16,21,22,28-Pentahydroxy-1,12-oleanadien-3-one C30H46O6 502.329439 NA MeJP NA NA +MJ074458 17,23-Epoxy-3,24,29-trihydroxylanost-9-en-26,23-olide C30H46O6 502.329439 NA MeJP NA NA +MJ074459 2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11-dione C30H46O6 502.329439 NA MeJP NA NA +MJ074460 2,25-Epoxy-2,3,19-trihydroxy-12-ursen-28-oic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074461 2,3,11,23-Tetrahydroxy-12-ursen-28-oic acid, 11-Ketone C30H46O6 502.329439 NA MeJP NA NA +MJ074462 2,3,16,23-Tetrahydroxy-12-oleanen-28-oic acid, 16-Ketone C30H46O6 502.329439 NA MeJP NA NA +MJ074463 2,3,16,23-Tetrahydroxy-5,13(18)-oleanadien-28-oic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074464 2,3,19,24-Tetrahydroxy-12-oleanen-28-oic acid, 24-Aldehyde C30H46O6 502.329439 NA MeJP NA NA +MJ074465 2,3,19,24-Tetrahydroxy-12-ursen-28-oic acid, 24-Aldehyde C30H46O6 502.329439 NA MeJP NA NA +MJ074466 2,3,23,30-Tetrahydroxy-12-oleanen-28-oic acid, 30-Aldehyde C30H46O6 502.329439 NA MeJP NA NA +MJ074467 2,3-Dihydroxy-12-oleanene-23,28-dioic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074468 2,3-Dihydroxy-9(11)-fernene-23,25-dioic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074469 2,3-Seco-12-oleanene-2,3,28-trioic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074470 20,24-Epoxy-3,16,25-trihydroxycucurbit-5-ene-11,22-dione C30H46O6 502.329439 NA MeJP NA NA +MJ074471 20-Hydroxy-23-oxo-2,3-secodammar-24-en-2,11-olid-3-oic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074472 3,11,23-Trihydroxy-20(29)-lupen-28-oic acid, 23-Carboxylic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074473 3,15,21,22,30-Pentahydroxy-12-oleanen-28-oic acid, 28?15 Lactone C30H46O6 502.329439 NA MeJP NA NA +MJ074474 3,16,20,25-Tetrahydroxycucurbita-5,23-diene-2,11-dione C30H46O6 502.329439 NA MeJP NA NA +MJ074475 3,16,23,28-Tetrahydroxy-11,13(18)-oleanadien-29-oic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074476 3,19,23,24-Tetrahydroxy-12-ursen-28-oic acid, 3-Ketone C30H46O6 502.329439 NA MeJP NA NA +MJ074477 3,19,23-Trihydroxy-12-oleanen-28-oic acid, 23-Carboxylic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074478 3,19-Dihydroxy-12-ursene-23,28-dioic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074479 3,19-Dihydroxy-12-ursene-24,28-dioic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074480 3,22,24-Trihydroxy-11-oxo-12-oleanen-30-oic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074481 3,23-Dihydroxy-12-oleanene-28,30-dioic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074482 3,23-Dihydroxy-20(29)-lupene-27,28-dioic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074483 3,24-Dihydroxy-12-oleanene-28,29-dioic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074484 3,24-Dihydroxy-12-oleanene-28,30-dioic acid; 3?-form C30H46O6 502.329439 NA MeJP NA NA +MJ074485 3,25-Epoxy-1,2,3-trihydroxy-12-ursen-28-oic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074486 3,6,19,23-Tetrahydroxy-12-ursen-28-oic acid, 23-Aldehyde C30H46O6 502.329439 NA MeJP NA NA +MJ074487 3,6,19,23-Tetrahydroxy-12-ursen-28-oic acid, 6-Ketone C30H46O6 502.329439 NA MeJP NA NA +MJ074488 3,6-Dihydroxy-12-oleanene-27,28-dioic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074489 3,7,15-Trihydroxy-11,23-dioxolanost-8-en-26-oic acid, 7-Deoxy C30H46O6 502.329439 NA MeJP NA NA +MJ074490 7,22,24,25-Tetrahydroxyergosta-1,4-dien-3-one, 22-Ac C30H46O6 502.329439 NA MeJP NA NA +MJ074491 Aleurodiscal C30H46O6 502.329439 NA MeJP NA NA +MJ074492 Anhydrochiisanogenoic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074493 Ceanothic acid; 27-Hydroxy C30H46O6 502.329439 NA MeJP NA NA +MJ074494 Granulosic acid C30H46O6 502.329439 NA MeJP NA NA +MJ074495 Ingenol; 3-Decanoyl C30H46O6 502.329439 NA MeJP NA NA +MJ074496 Petuniasterone B C30H46O6 502.329439 NA MeJP NA NA +MJ074497 Platycodogenin C30H46O6 502.329439 NA MeJP NA NA +MJ074498 Saponaceolide B C30H46O6 502.329439 NA MeJP NA NA +MJ074499 Cyclomicrophylline I; 6,7-Dihydro, N3,O16-di-Ac, N20-formyl C29H46N2O5 502.340672 NA MeJP NA NA +MJ074500 19,30-Tetratriacontadiene-2,4,6,17,33-pentayne-1,8,32-triol C34H46O3 502.344695 NA MeJP NA NA +MJ074501 1,3,25-Trihydroxycycloart-23-en-28-oic acid, 25-Me ether C31H50O5 502.365824 NA MeJP NA NA +MJ074502 1,3,7-Trihydroxy-24-methylenecycloartan-28-oic acid C31H50O5 502.365824 NA MeJP NA NA +MJ074503 12,23-Epoxy-3,23-dihydroxy-24-methyllanost-8-en-26-oic acid C31H50O5 502.365824 NA MeJP NA NA +MJ074504 2,3,19-Trihydroxy-12-ursen-28-oic acid, Me ester C31H50O5 502.365824 NA MeJP NA NA +MJ074505 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 2-Me ether C31H50O5 502.365824 NA MeJP NA NA +MJ074506 2,3,23-Trihydroxy-12-oleanen-28-oic acid, Me ester C31H50O5 502.365824 NA MeJP NA NA +MJ074507 3,11,30-Trihydroxy-12-ursen-28-oic acid, 11-Me ether C31H50O5 502.365824 NA MeJP NA NA +MJ074508 3,12-Dihydroxy-24-methyl-23-oxolanost-8-en-26-oic acid C31H50O5 502.365824 NA MeJP NA NA +MJ074509 3,9,23-Trihydroxy-4,4,17-trimethylcholesta-14,24-dien-26-oic acid, Me ester C31H50O5 502.365824 NA MeJP NA NA +MJ074510 7,15,26,27-Tetrahydroxylanosta-8,24-dien-3-one, 7-Me ether C31H50O5 502.365824 NA MeJP NA NA +MJ074511 Ampelozigenin C31H50O5 502.365824 NA MeJP NA NA +MJ074512 Cimigenol; 15-Me ether C31H50O5 502.365824 NA MeJP NA NA +MJ074513 Cimigenol; 25-Me ether C31H50O5 502.365824 NA MeJP NA NA +MJ074514 Holost-9(11)-ene-3,12,17-triol, 12-Me ether C31H50O5 502.365824 NA MeJP NA NA +MJ074515 Juruenolide A C31H50O5 502.365824 NA MeJP NA NA +MJ074516 3,20-Diaminopregnane-2,4-diol, N20,N20-Di-Me, N3-tigloyl, 4-Ac C30H50N2O4 502.377058 NA MeJP NA NA +MJ074517 Baleabuxidine I; N20,N20-Di-Me,N3-(2-methylpropanoyl) C30H50N2O4 502.377058 NA MeJP NA NA +MJ074518 Cycloprotobuxine I; N3,N20,N20-Tri-Me, 6,7-didehydro, N3-benzoyl C34H50N2O 502.392314 NA MeJP NA NA +MJ074519 1,3,22-Hopanetriol, 3-Ac C32H54O4 502.40221 NA MeJP NA NA +MJ074520 2,3,22-Stictanetriol, 2-Ac C32H54O4 502.40221 NA MeJP NA NA +MJ074521 2,3,22-Stictanetriol, 3-Ac C32H54O4 502.40221 NA MeJP NA NA +MJ074522 20,24-Epoxydammarane-3,25-diol, 3-Ac C32H54O4 502.40221 NA MeJP NA NA +MJ074523 20,25-Epoxydammarane-3,24-diol, 3-Ac C32H54O4 502.40221 NA MeJP NA NA +MJ074524 3,11,20-Lupanetriol, 3-Ac C32H54O4 502.40221 NA MeJP NA NA +MJ074525 3,12,22-Hopanetriol, 3-Ac C32H54O4 502.40221 NA MeJP NA NA +MJ074526 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Docosyl ester C32H54O4 502.40221 NA MeJP NA NA +MJ074527 6,16,22-Hopanetriol, 16-Ac C32H54O4 502.40221 NA MeJP NA NA +MJ074528 6,16,22-Hopanetriol, 6-Ac C32H54O4 502.40221 NA MeJP NA NA +MJ074529 6,20,22-Hopanetriol, 20-Ac C32H54O4 502.40221 NA MeJP NA NA +MJ074530 6,7,22-Hopanetriol, 6-Ac C32H54O4 502.40221 NA MeJP NA NA +MJ074531 6,7,22-Hopanetriol, 7-Ac C32H54O4 502.40221 NA MeJP NA NA +MJ074532 Dammar-24-ene-3,11,20-triol, 11-Ac C32H54O4 502.40221 NA MeJP NA NA +MJ074533 Dammar-24-ene-3,16,20-triol, 3-Ac C32H54O4 502.40221 NA MeJP NA NA +C05800 2-Hexaprenylphenol C36H54O 502.4175 NA KEGG NA NA +MJ074534 2-(4-Hydroxyphenyl)ethanol; 1-O-Pentacosanoyl C33H58O3 502.438595 NA MeJP NA NA +MJ074535 24-Hydroxy-1-(4-hydroxyphenyl)-5-propyl-1-tetracosanone C33H58O3 502.438595 NA MeJP NA NA +MJ074536 3(15),6-Caryophylladien-5-ol, O-(6-Hydroxyoctadecanoyl)(S-) C33H58O3 502.438595 NA MeJP NA NA +MJ074537 3-(4-Hydroxyphenyl)-1-propanol; 1-Tetracosanoyl C33H58O3 502.438595 NA MeJP NA NA +MJ074538 5-Alkenyl-2,6-dimethoxyphenols; 2,6-Dimethoxy-4-(16-pentacosenyl)phenol C33H58O3 502.438595 NA MeJP NA NA +MJ074539 7-Drimen-11-ol, O-(6-Oxooctadecanoyl) C33H58O3 502.438595 NA MeJP NA NA +MJ074540 Capiquinones; Capiquinone J C33H58O3 502.438595 NA MeJP NA NA +MJ074541 1,1'-[Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane C28H54N8 502.447143 NA MeJP NA NA +MJ074542 5,9,27-Tetratriacontatrienoic acid C34H62O2 502.474981 NA MeJP NA NA +MJ074543 6,26-Pentatriacontadien-2-one C35H66O 502.511366 NA MeJP NA NA +MJ074544 8,26-Pentatriacontadien-2-one C35H66O 502.511366 NA MeJP NA NA +3335 human beta-casein fr,53-61 AQTQSLVYP 502.7495 MH2+ Inhouse_peptide NA peptide +2790 precursor of thyrotropin hormone (1-8 ) KRQHPGKR 502.7895 MH2+ Inhouse_peptide NA peptide +C10985 Deltamethrin C22H19Br2NO3 502.9732 NA KEGG NA NA +MJ074545 Aerophobin 2 C16H19Br2N5O4 502.980379 NA MeJP NA NA +C17163 Aerophobin 2 C16H19Br2N5O4 502.9804 NA KEGG NA NA +MJ074546 Dysidenamide C15H23Cl6N3O3 502.987057 NA MeJP NA NA +MJ074547 Dichloro(1,1-cyclohexanedimethanamine-N,N')[sulfato(2-)-O,O']platinum C8H18Cl2N2O4PtS 503.001207 NA MeJP NA NA +MJ074548 Oganomycin I C17H21N5O7S3 503.06031 NA MeJP NA NA +MJ074549 Timoxicillin C22H21N3O7S2 503.082091 NA MeJP NA NA +MJ074550 Sporidesmin D C20H26ClN3O6S2 503.095154 NA MeJP NA NA +MetaCyc03732 luciferyl sulfate [] C26H21N3O6S1 503.115106 NA metacyc NA NA +MJ074551 Antibiotic PA 32413-I C18H25N5O10S 503.132212 NA MeJP NA NA +MJ074552 1,1,1-Trifluoro-3-[(3-phenoxyphenyl)[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]-2-propanol C24H20F7NO3 503.13314 NA MeJP NA NA +MJ074553 Wondonine A C23H25N3O8S 503.136235 NA MeJP NA NA +PJ003020 CNMH C18H29N7O6S2 503.1621 NA PeJP NA NA +MJ074554 Gravacridonediol; 2'-O-?-D-Glucopyranoside C25H29NO10 503.179146 NA MeJP NA NA +PJ003021 GSTCH C18H29N7O8S 503.1799 NA PeJP NA NA +MJ074555 2-Butyl-4-chloro-1-[[1-[2-(1H-tetrazol-5-yl)phenyl]-1H-indol-4-yl]methyl]-1H-imidazole-5-carboxylic acid; Et ester C26H26ClN7O2 503.18365 NA MeJP NA NA +MJ074556 2-Amino-2-deoxy-?-D-glucopyranosyl-(1?2)-?-D-mannopyranosyl-(1?3)-D-mannose C18H33NO15 503.185019 NA MeJP NA NA +MJ074557 2-Amino-2-deoxy-?-D-glucopyranosyl-(1?2)-?-D-mannopyranosyl-(1?6)-D-mannose C18H33NO15 503.185019 NA MeJP NA NA +MJ074558 2-Amino-2-deoxy-?-D-glucopyranosyl-(1?4)-?-D-mannopyranosyl-(1?3)-D-mannose C18H33NO15 503.185019 NA MeJP NA NA +MJ074559 2-Amino-2-deoxy-?-D-glucopyranosyl-(1?6)-?-D-mannopyranosyl-(1?6)-D-mannose C18H33NO15 503.185019 NA MeJP NA NA +MJ074560 ?-D-Galactopyranosyl-(1?3)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)-D-galactose C18H33NO15 503.185019 NA MeJP NA NA +MJ074561 ?-D-Galactopyranosyl-(1?4)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?2)-D-mannose C18H33NO15 503.185019 NA MeJP NA NA +MJ074562 ?-D-Galactopyranosyl-(1?4)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)-D-galactose C18H33NO15 503.185019 NA MeJP NA NA +MJ074563 ?-D-Galactopyranosyl-(1?4)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)-D-mannose C18H33NO15 503.185019 NA MeJP NA NA +MJ074564 ?-D-Galactopyranosyl-(1?4)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?4)-D-mannose C18H33NO15 503.185019 NA MeJP NA NA +MJ074565 ?-D-Galactopyranosyl-(1?4)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?6)-D-mannose C18H33NO15 503.185019 NA MeJP NA NA +MJ074566 ?-D-Galactopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-2-amino-2-deoxy-D-glucose C18H33NO15 503.185019 NA MeJP NA NA +MJ074567 ?-D-Galactopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-2-amino-2-deoxy-D-glucose C18H33NO15 503.185019 NA MeJP NA NA +MJ074568 ?-D-Mannopyranosyl-(1?3)-?-D-mannopyranosyl-(1?4)-2-amino-2-deoxy-D-glucose C18H33NO15 503.185019 NA MeJP NA NA +PJ003022 GSPDE C19H29N5O11 503.1864 NA PeJP NA NA +PJ003023 GPPCM C20H33N5O6S2 503.1873 NA PeJP NA NA +MJ074569 Hernandaline, 6a,7-Didehydro C29H29NO7 503.194402 NA MeJP NA NA +PJ003024 SSSSH C18H29N7O10 503.1976 NA PeJP NA NA +PJ003025 SPDW C23H29N5O8 503.2016 NA PeJP NA NA +PJ003026 PQEM C20H33N5O8S 503.205 NA PeJP NA NA +PJ003027 GNQW C22H29N7O7 503.2129 NA PeJP NA NA +MJ074570 Nocamycin I C26H33NO9 503.215531 NA MeJP NA NA +PJ003028 PCER C19H33N7O7S 503.2162 NA PeJP NA NA +PJ003029 APMW C24H33N5O5S 503.2203 NA PeJP NA NA +3291 bovine kappa-casein fr,113-116 NQDK 503.2218 celiac toxic Inhouse_peptide NA peptide +PJ003030 VQEE C20H33N5O10 503.2228 NA PeJP NA NA +PJ003031 PNHH C21H29N9O6 503.2241 NA PeJP NA NA +6989 coeliac toxic peptide QPYP 503.225 antioxidative Inhouse_peptide NA peptide +7896 peptide from human milk b-casein (170-173) PYPQ 503.225 ACE inhibitor Inhouse_peptide NA peptide +MJ074571 Episcopalidine C30H33NO6 503.230787 NA MeJP NA NA +MJ074572 Oxalicine A C30H33NO6 503.230787 NA MeJP NA NA +PJ003032 AEER C19H33N7O9 503.234 NA PeJP NA NA +CJneg0634 Androsterone glucuronide [(M+Cl)]- (13C) C2413CH38ClO8 503.237225 C18rt(min)=8.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0634 Androsterone glucuronide [(M+Cl)]- (13C) C2413CH38ClO8 503.237225 C18rt(min)=8.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ074573 Norplicacetin C24H33N5O7 503.237998 NA MeJP NA NA +PJ003033 GLEW C24H33N5O7 503.238 NA PeJP NA NA +PJ003034 PKEM C21H37N5O7S 503.2414 NA PeJP NA NA +8020 synthetic peptide LWW 503.242 antibacterial Inhouse_peptide NA peptide +PJ003035 SNQR C18H33N9O8 503.2452 NA PeJP NA NA +PJ003036 GNKW C23H33N7O6 503.2493 NA PeJP NA NA +MJ074574 Hetisan-2,3,9,11,13,14-hexol, 2-(2-Methylbutanoyl), 3-Ac C27H37NO8 503.251917 NA MeJP NA NA +MJ074575 Lankacidin R C27H37NO8 503.251917 NA MeJP NA NA +MJ074576 Lankacidinol; 14-Ac C27H37NO8 503.251917 NA MeJP NA NA +PJ003037 PTMR C20H37N7O6S 503.2526 NA PeJP NA NA +PJ003038 LWW C28H33N5O4 503.2533 NA PeJP NA NA +PJ003039 SSPTL C21H37N5O9 503.2591 NA PeJP NA NA +PJ003040 VKEE C21H37N5O9 503.2592 NA PeJP NA NA +MJ074577 Antibiotic 35763 C26H37N3O7 503.26315 NA MeJP NA NA +MJ074578 Madumycin II C26H37N3O7 503.26315 NA MeJP NA NA +2705 erythromycin inhibitor MVVGV 503.2654 NA Inhouse_peptide NA peptide +MJ074579 Suinin C31H37NO5 503.267173 NA MeJP NA NA +PJ003041 SLER C20H37N7O8 503.2704 NA PeJP NA NA +C17008 Mycalamide A C24H41NO10 503.273 NA KEGG NA NA +MJ074580 Mycalamide A C24H41NO10 503.273046 NA MeJP NA NA +PJ003042 SVLW C25H37N5O6 503.2744 NA PeJP NA NA +PJ003043 LLQM C22H41N5O6S 503.2778 NA PeJP NA NA +MJ074581 Roehybridine; 4'-Demethoxy C30H37N3O4 503.278406 NA MeJP NA NA +MJ074582 Roehybridine; 7a,10-Diepimer, 4'-demethoxy C30H37N3O4 503.278406 NA MeJP NA NA +MJ074583 Roehybridine; 9-Epimer, 4'-demethoxy C30H37N3O4 503.278406 NA MeJP NA NA +PJ003044 SNKR C19H37N9O7 503.2816 NA PeJP NA NA +PJ003045 VVMR C21H41N7O5S 503.289 NA PeJP NA NA +PJ003046 GTTLL C22H41N5O8 503.2955 NA PeJP NA NA +EUR700 Lyso PE (18:0) [M+Na]+ C23H48NO7P 503.298788 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR735 Lyso PC 15:0 [M+Na]+ C23H48NO7P 503.298788 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR835 Lyso PE 18:0 [M+Na]+ C23H48NO7P 503.298788 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR700 Lyso PE (18:0) [M+Na]+ C23H48NO7P 503.298788 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR735 Lyso PC 15:0 [M+Na]+ C23H48NO7P 503.298788 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR835 Lyso PE 18:0 [M+Na]+ C23H48NO7P 503.298788 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR700 Lyso PE (18:0) [M+Na]+ C23H48NO7P 503.298788 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR735 Lyso PC 15:0 [M+Na]+ C23H48NO7P 503.298788 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR835 Lyso PE 18:0 [M+Na]+ C23H48NO7P 503.298788 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR700 Lyso PE (18:0) [M+Na]+ C23H48NO7P 503.298788 masses lipides attendues Inhousejuil11 NA NA +EUR735 Lyso PC 15:0 [M+Na]+ C23H48NO7P 503.298788 masses lipides attendues Inhousejuil11 NA NA +EUR835 Lyso PE 18:0 [M+Na]+ C23H48NO7P 503.298788 masses lipides attendues Inhousejuil11 NA NA +HMDB11484 LysoPE(0:0/20:3(11Z,14Z,17Z)) C25H46NO7P 503.301178 NA HMDB2010 NA NA +HMDB11485 LysoPE(0:0/20:3(5Z,8Z,11Z)) C25H46NO7P 503.301178 NA HMDB2010 NA NA +HMDB11486 LysoPE(0:0/20:3(8Z,11Z,14Z)) C25H46NO7P 503.301178 NA HMDB2010 NA NA +HMDB11514 LysoPE(20:3(11Z,14Z,17Z)/0:0) C25H46NO7P 503.301178 NA HMDB2010 NA NA +HMDB11515 LysoPE(20:3(5Z,8Z,11Z)/0:0) C25H46NO7P 503.301178 NA HMDB2010 NA NA +HMDB11516 LysoPE(20:3(8Z,11Z,14Z)/0:0) C25H46NO7P 503.301178 NA HMDB2010 NA NA +EUR726 Lyso PC 18:3 [M-H-CH3]- C26H48NO7P 503.301192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR874 Lyso PE 20:3 monoisotopic mass C25H46NO7P 503.301192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR726 Lyso PC 18:3 [M-H-CH3]- C26H48NO7P 503.301192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR874 Lyso PE 20:3 monoisotopic mass C25H46NO7P 503.301192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR726 Lyso PC 18:3 [M-H-CH3]- C26H48NO7P 503.301192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR874 Lyso PE 20:3 monoisotopic mass C25H46NO7P 503.301192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR726 Lyso PC 18:3 [M-H-CH3]- C26H48NO7P 503.301192 masses lipides attendues Inhousejuil11 NA NA +EUR874 Lyso PE 20:3 monoisotopic mass C25H46NO7P 503.301192 masses lipides attendues Inhousejuil11 NA NA +MJ074584 PC-M5 C32H41NO4 503.303558 NA MeJP NA NA +MJ074585 Phomopsichalasin C32H41NO4 503.303558 NA MeJP NA NA +MJ074586 Sulpinine B; 18?,19?-Epoxide C32H41NO4 503.303558 NA MeJP NA NA +PJ003047 TQKK C21H41N7O7 503.3068 NA PeJP NA NA +C15760 Pederin C25H45NO9 503.3094 NA KEGG NA NA +PJ003048 PLKF C26H41N5O5 503.3108 NA PeJP NA NA +PJ003049 LLKM C23H45N5O5S 503.3142 NA PeJP NA NA +MJ074587 Antillatoxin C28H45N3O5 503.335921 NA MeJP NA NA +PJ003050 TKKK C22H45N7O6 503.3432 NA PeJP NA NA +MJ074588 7-Bromo-2-(3-bromo-1,2-propadienyl)-5-(1-bromopropyl)-8-chlorooctahydro-2H-furo[3,2-b]oxocin C15H20Br3ClO2 503.870195 NA MeJP NA NA +MJ074589 Caespitol; 5?,6-Dihydroxy, 8-Ac C17H27Br2ClO5 503.991376 NA MeJP NA NA +MJ074590 Aranotin; Ac C22H20N2O8S2 504.066107 NA MeJP NA NA +MJ074591 Scabrosine; Di-Ac C22H20N2O8S2 504.066107 NA MeJP NA NA +C07606 Hypericin C30H16O8 504.0845 NA KEGG NA NA +MJ074592 Hypericin C30H16O8 504.084517 NA MeJP NA NA +MJ074593 3',4',5,7-Tetrahydroxyflavone; 3'-O-(4-O-Acetyl-?-D-glucuronopyranoside) C23H20O13 504.09039 NA MeJP NA NA +MJ074594 3',4',5,7-Tetrahydroxyflavone; 3'-O-(O-Acetyl-?-D-glucuronopyranoside) C23H20O13 504.09039 NA MeJP NA NA +MJ074595 3',4',5,7-Tetrahydroxyflavone; 7-O-(2-O-Acetyl-?-D-glucuronopyranoside) C23H20O13 504.09039 NA MeJP NA NA +MJ074596 Ellagic acid; 3-Me ether, 8-O-(2-O-acetyl-?-L-rhamnopyranoside) C23H20O13 504.09039 NA MeJP NA NA +MJ074597 Ellagic acid; 3-Me ether, 8-O-(3-O-acetyl-?-L-rhamnopyranoside) C23H20O13 504.09039 NA MeJP NA NA +MJ074598 Ellagic acid; 3-Me ether, 8-O-(4-O-acetyl-?-L-rhamnopyranoside) C23H20O13 504.09039 NA MeJP NA NA +MJ074599 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(O-Malonyl-?-D-xylopyranoside) C23H21O13(+) 504.09039 NA MeJP NA NA +FL3FACGS0068 Luteolin 3'-(3''-acetylglucuronide) C23H20O13 504.09039 160598-98-1 knapsack NA NA +FL3FACGS0069 Luteolin 3'-(4''-acetylglucuronide) C23H20O13 504.09039 160598-97-0 knapsack NA NA +FL5FEAGS0025 5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide;4-(9-Hydroxy-7-methoxy-8-oxo-8H-1,3-dioxolo[4,5-g][1]benzopyran-6-yl)phenyl beta-D-glucopyranosiduronic acid C23H20O13 504.09039 374680-84-9 knapsack NA NA +MJ074600 [6-Iodo-2-methyl-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl](4-methoxyphenyl)methanone C23H25IN2O3 504.090986 NA MeJP NA NA +MJ074601 Triclonide C24H28Cl3FO4 504.10372 NA MeJP NA NA +MJ074602 3,4,6,7-Tetrahydro-4,7,10,15,16-pentahydroxy-8-methoxy-3-methyl-1H-naphtho[2',3':6,7]phenanthro[3,2-c]pyran-1,9,14-trione C27H20O10 504.105646 NA MeJP NA NA +MJ074603 Antibiotic WS 79089B; ?-Lactone, 1'R-hydroxy C27H20O10 504.105646 NA MeJP NA NA +MJ074604 Duclauxin; O-De-Ac C27H20O10 504.105646 NA MeJP NA NA +FL3FAAGS0043 Apigenin 7-(2''-glucosyllactate) C24H24O12 504.12677 126394-94-3 knapsack NA NA +FL3FADCS0004 Scoparin 6''-acetate C24H24O12 504.12677 65725-05-5 knapsack NA NA +FL3FEAGS0023 Pectolinarigenin 7-(6''-methylglucuronide) C24H24O12 504.12677 70938-59-9 knapsack NA NA +FL5FCAGL0007 Rhamnocitrin 3-(6''-acetylglucoside) C24H24O12 504.12677 123442-25-1 knapsack NA NA +FLIA2LGS0001 Dalpatein 7-O-glucoside;Dalpatin C24H24O12 504.12677 40522-40-5 knapsack NA NA +FLIAECGS0004 Isoplatycarpanetin 7-O-glucoside;Dipteryxine 7-O-glucoside C24H24O12 504.12677 - knapsack NA NA +FLIAFCGS0002 Platycarpanetin 7-O-glucoside C24H24O12 504.12677 52783-55-8 knapsack NA NA +FLNACCGS0003 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside C24H24O12 504.12677 117783-71-8 knapsack NA NA +MJ074605 1,4,5-Naphthalenetriol; 4-O-[(3,5-Dihydroxy-4-methoxybenzoyl)-(?6)-?-D-glucopyranoside] C24H24O12 504.126776 NA MeJP NA NA +MJ074606 2',4',5',6,7-Pentahydroxyisoflavone; 4',5'-Methylene, 2',6-di-Me ether, 7-O-?-D-glucopyranoside C24H24O12 504.126776 NA MeJP NA NA +MJ074607 3',4',5,6,7-Pentahydroxyisoflavone; 5,6-Di-Me, 3',4'-methylene ether, 7-O-?-D-glucopyranoside C24H24O12 504.126776 NA MeJP NA NA +MJ074608 3',4',5,7,8-Pentahydroxyisoflavone; 3',4'-Methylene, 5,8-di-Me ether, 7-O-?-D-glucopyranoside C24H24O12 504.126776 NA MeJP NA NA +MJ074609 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-(6-O-Acetyl-?-D-glucopyranoside) C24H24O12 504.126776 NA MeJP NA NA +MJ074610 4',5,7-Trihydroxy-3'-methoxyflavone; 4'-O-(6-O-Acetyl-?-D-glucopyranoside) C24H24O12 504.126776 NA MeJP NA NA +MJ074611 4',5,7-Trihydroxyflavone; 7-O-(2-?-D-Glucopyranosyloxypropanoyl) C24H24O12 504.126776 NA MeJP NA NA +MJ074612 4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 7-Me ether, 5-O-(6-acetyl-?-D-galactopyranoside) C24H24O12 504.126776 NA MeJP NA NA +MJ074613 5,7-Dihydroxy-3',4'-dimethoxyflavone; 7-O-?-D-Glucuronoside, Me ester C24H24O12 504.126776 NA MeJP NA NA +MJ074614 5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-?-D-Glucuronopyranoside, Me ester C24H24O12 504.126776 NA MeJP NA NA +MJ074615 8-Glucosyl-4',5,7-trihydroxy-3'-methoxyflavone; ?-D-Pyranose-form, 6''-O-Ac C24H24O12 504.126776 NA MeJP NA NA +MJ074616 Garashangin C24H24O12 504.126776 NA MeJP NA NA +MJ074617 Antibiotic C 43219 C19H28N4O8S2 504.134855 NA MeJP NA NA +MJ074618 Bequinostatin A C28H24O9 504.142032 NA MeJP NA NA +PJ003051 CDMH C18H28N6O7S2 504.1461 NA PeJP NA NA +C11728 Clindamycin phosphate C18H34ClN2O8PS 504.1462 NA KEGG NA NA +MJ074619 Clindamycin; O2'-Phosphate C18H34ClN2O8PS 504.1462 NA MeJP NA NA +MJ074620 1-O-p-Coumaroylglucose; ?-D-form, 3'-Hydroxy, 3'-O-?-D-glucopyranoside C21H28O14 504.147905 NA MeJP NA NA +MJ074621 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, [?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester C21H28O14 504.147905 NA MeJP NA NA +MJ074622 6-O-?-D-Glucopyranosyl-D-glucose; 1-O-(3,4-Dihydroxycinnamoyl) C21H28O14 504.147905 NA MeJP NA NA +MJ074623 Sucrose; 6-O-(3,4-Dihydroxycinnamoyl)(E-) C21H28O14 504.147905 NA MeJP NA NA +MJ074624 Cyclosiphonodictyol A; Disulfate C22H32O9S2 504.148774 NA MeJP NA NA +FL1AAKGM0001 6-Hydroxy-5-methyl-3',4',5'-trimethoxyaurone-4-O-alpha-L-rhamnopyranoside C25H28O11 504.16316 828940-04-1 knapsack NA NA +FL1AAKGM0002 6-Hydroxy-7-methyl-3',4',5'-trimethoxyaurone 4-O-rhamnoside C25H28O11 504.16316 571194-61-1 knapsack NA NA +FL5FEAGS0024 6-Hydroxykaempferol 3,5,7,4'-tetramethyl ether 6-rhamnoside;6-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3,5,7-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C25H28O11 504.16316 213137-75-8 knapsack NA NA +MJ074625 3,4',5,6,7-Pentahydroxyflavone; 3,4',5,7-Tetra-Me ether, 6-O-?-L-rhamnopyranoside C25H28O11 504.163161 NA MeJP NA NA +MJ074626 3-(3-Hydroxypropyl)phthalide; O-[6-O-(4-hydroxy-3-methoxybenzoyl)-?-D-glucopyranoside] C25H28O11 504.163161 NA MeJP NA NA +MJ074627 7-Hydroxyugandoside, 7-Cinnamoyl C25H28O11 504.163161 NA MeJP NA NA +MJ074628 Bipinnatin B; 17-Carboxylic acid, Me ester C25H28O11 504.163161 NA MeJP NA NA +MJ074629 Bothriolide C25H28O11 504.163161 NA MeJP NA NA +MJ074630 Neosergeolide C25H28O11 504.163161 NA MeJP NA NA +MJ074631 Sergeolide C25H28O11 504.163161 NA MeJP NA NA +MJ074632 Serratoside B C25H28O11 504.163161 NA MeJP NA NA +MJ074633 Sweroside; 2'-O-(4-Hydroxy-E-cinnamoyl) C25H28O11 504.163161 NA MeJP NA NA +C08782 Sergeolide C25H28O11 504.1632 NA KEGG NA NA +C12410 Urdamycinone F C25H28O11 504.1632 NA KEGG NA NA +PJ003052 GPCND C18H28N6O9S 504.1639 NA PeJP NA NA +PJ003053 GCYY C23H28N4O7S 504.1679 NA PeJP NA NA +C00492 Raffinose C18H32O16 504.169 NA KEGG NA NA +C00713 Panose C18H32O16 504.169 NA KEGG NA NA +C00714 Pectin C18H32O16 504.169 NA KEGG NA NA +C00883 Galactomannan C18H32O16 504.169 NA KEGG NA NA +C01835 Maltotriose C18H32O16 504.169 NA KEGG NA NA +C01836 Neurotensin C18H32O16 504.169 NA KEGG NA NA +C02160 Isomaltotriose C18H32O16 504.169 NA KEGG NA NA +C03367 6-alpha-Maltosylglucose C18H32O16 504.169 NA KEGG NA NA +C03661 1F-beta-D-Fructosylsucrose C18H32O16 504.169 NA KEGG NA NA +C03848 6F-alpha-D-Galactosylsucrose C18H32O16 504.169 NA KEGG NA NA +C03849 Acyl-sn-glycerol 3-phosphate C18H32O16 504.169 NA KEGG NA NA +C05404 D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose C18H32O16 504.169 NA KEGG NA NA +C06219 Cellotriose C18H32O16 504.169 NA KEGG NA NA +C08239 beta-D-Fructofuranosyl C18H32O16 504.169 NA KEGG NA NA +C08243 Melezitose C18H32O16 504.169 NA KEGG NA NA +C08251 Umbelliferose C18H32O16 504.169 NA KEGG NA NA +MJ074634 1-Kestose C18H32O16 504.169034 NA MeJP NA NA +MJ074635 6-Kestose C18H32O16 504.169034 NA MeJP NA NA +MJ074636 ?-D-Fructofuranosyl ?-D-glucopyranosyl-(1?4)-D-glucopyranoside C18H32O16 504.169034 NA MeJP NA NA +MJ074637 ?-D-Galactopyranosyl-(1?2)-[?-D-galactopyranosyl-(1r4)]-D-galactose C18H32O16 504.169034 NA MeJP NA NA +MJ074638 ?-D-Galactopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074639 ?-D-Galactopyranosyl-(1?3)-?-D-galactopyranosyl-(1?6)-D-galactose C18H32O16 504.169034 NA MeJP NA NA +MJ074640 ?-D-Galactopyranosyl-(1?4)-?-D-galactopyranosyl-(1?4)-D-galactose C18H32O16 504.169034 NA MeJP NA NA +MJ074641 ?-D-Galactopyranosyl-(1?4)-?-D-galactopyranosyl-(1?4)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074642 ?-D-Galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?4)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074643 ?-D-Galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?6)-D-galactose C18H32O16 504.169034 NA MeJP NA NA +MJ074644 ?-D-Galactopyranosyl-(1?6)-?-D-mannopyranosyl-(1?2)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074645 ?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074646 ?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074647 ?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074648 ?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?6)]-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074649 ?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074650 ?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-mannose C18H32O16 504.169034 NA MeJP NA NA +MJ074651 ?-D-Glucopyranosyl-(1?4)-?-D-mannopyranosyl-(1?4)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074652 ?-D-Glucopyranosyl-(1?4)-?-D-mannopyranosyl-(1?4)-D-mannose C18H32O16 504.169034 NA MeJP NA NA +MJ074653 ?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074654 ?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074655 ?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-D-mannose C18H32O16 504.169034 NA MeJP NA NA +MJ074656 ?-D-Mannopyranosyl-(1?2)-?-D-mannopyranosyl-(1?2)-D-mannose C18H32O16 504.169034 NA MeJP NA NA +MJ074657 ?-D-Mannopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074658 ?-D-Mannopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-mannose C18H32O16 504.169034 NA MeJP NA NA +MJ074659 ?-D-Mannopyranosyl-(1?4)-?-D-mannopyranosyl-(1?4)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074660 Cellotriose C18H32O16 504.169034 NA MeJP NA NA +MJ074661 Dextrantriose C18H32O16 504.169034 NA MeJP NA NA +MJ074662 Galactotriose C18H32O16 504.169034 NA MeJP NA NA +MJ074663 Gentianose C18H32O16 504.169034 NA MeJP NA NA +MJ074664 Gentiotriose C18H32O16 504.169034 NA MeJP NA NA +MJ074665 Inulotriose C18H32O16 504.169034 NA MeJP NA NA +MJ074666 Isomaltotriulose C18H32O16 504.169034 NA MeJP NA NA +MJ074667 Kojitriose C18H32O16 504.169034 NA MeJP NA NA +MJ074668 Lactulosucrose C18H32O16 504.169034 NA MeJP NA NA +MJ074669 Laminaritriose C18H32O16 504.169034 NA MeJP NA NA +MJ074670 Maltotriose C18H32O16 504.169034 NA MeJP NA NA +MJ074671 Mannimositose C18H32O16 504.169034 NA MeJP NA NA +MJ074672 Mannotriose C18H32O16 504.169034 NA MeJP NA NA +MJ074673 Melezitose C18H32O16 504.169034 NA MeJP NA NA +MJ074674 Neapolitanose C18H32O16 504.169034 NA MeJP NA NA +MJ074675 Neokestose C18H32O16 504.169034 NA MeJP NA NA +MJ074676 Nigeglanose C18H32O16 504.169034 NA MeJP NA NA +MJ074677 Panose C18H32O16 504.169034 NA MeJP NA NA +MJ074678 Planteose C18H32O16 504.169034 NA MeJP NA NA +MJ074679 Raffinose C18H32O16 504.169034 NA MeJP NA NA +MJ074680 Selaginose C18H32O16 504.169034 NA MeJP NA NA +MJ074681 Theanderose C18H32O16 504.169034 NA MeJP NA NA +MJ074682 Umbelliferose C18H32O16 504.169034 NA MeJP NA NA +MJ074683 chiro-Inositol, 2-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] C18H32O16 504.169034 NA MeJP NA NA +MJ074684 ?-D-Galactopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074685 ?-D-Galactopyranosyl-(1?3)-?-D-fructofuranosyl ?-D-glucopyranoside C18H32O16 504.169034 NA MeJP NA NA +MJ074686 ?-D-Galactopyranosyl-(1?3)-[?-D-galactopyranosyl-(1r6)]-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074687 ?-D-Galactopyranosyl-(1?3)-?-D-galactopyranosyl-(1?3)-D-galactose C18H32O16 504.169034 NA MeJP NA NA +MJ074688 ?-D-Galactopyranosyl-(1?4)-?-D-galactopyranosyl-(1?4)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074689 ?-D-Galactopyranosyl-(1?4)-?-D-galactopyranosyl-(1?3)-D-galactose C18H32O16 504.169034 NA MeJP NA NA +MJ074690 ?-D-Galactopyranosyl-(1?6)-?-D-galactofuranosyl-(1?6)-D-galactose C18H32O16 504.169034 NA MeJP NA NA +MJ074691 ?-D-Galactopyranosyl-(1?6)-?-D-mannopyranosyl-(1?4)-D-mannose C18H32O16 504.169034 NA MeJP NA NA +MJ074692 ?-D-Galactopyranosyl-(1?6)-[?-D-mannopyranosyl-(1?4)]-D-mannose C18H32O16 504.169034 NA MeJP NA NA +MJ074693 ?-D-Galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?6)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074694 ?-D-Galactopyranosyl-(1?6)-?-D-mannopyranosyl-(1?4)-D-mannose C18H32O16 504.169034 NA MeJP NA NA +MJ074695 ?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074696 ?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074697 ?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074698 ?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?6)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074699 ?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?6)]-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074700 ?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074701 ?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074702 ?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074703 ?-D-Glucopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?6)]-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074704 ?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?2)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074705 ?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074706 ?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074707 ?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?2)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074708 ?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074709 ?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074710 ?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?2)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074711 ?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-D-glucose C18H32O16 504.169034 NA MeJP NA NA +MJ074712 ?-D-Mannopyranosyl-(1?2)-[?-D-mannopyranosyl-(1?4)]-D-mannose C18H32O16 504.169034 NA MeJP NA NA +MJ074713 ?-D-Mannopyranosyl-(1?2)-[?-D-mannopyranosyl-(1?6)]-D-mannose C18H32O16 504.169034 NA MeJP NA NA +MJ074714 ?-D-Mannopyranosyl-(1?2)-?-D-mannopyranosyl-(1?2)-D-mannose C18H32O16 504.169034 NA MeJP NA NA +MJ074715 ?-D-Mannopyranosyl-(1?2)-?-D-mannopyranosyl-(1?3)-D-galactose C18H32O16 504.169034 NA MeJP NA NA +MJ074716 ?-D-Mannopyranosyl-(1?3)-[?-D-mannopyranosyl-(1?6)]-D-mannose C18H32O16 504.169034 NA MeJP NA NA +MJ074717 ?-D-Mannopyranosyl-(1?4)-?-D-mannopyranosyl-(1?4)-D-mannose C18H32O16 504.169034 NA MeJP NA NA +MJ074718 ?-D-Mannopyranosyl-(1?4)-?-D-mannopyranosyl-(1?4)-D-mannose C18H32O16 504.169034 NA MeJP NA NA +MJ074719 ?-D-Mannopyranosyl-(1?6)-?-D-mannopyranosyl-(1?6)-D-mannose C18H32O16 504.169034 NA MeJP NA NA +MJ074720 Cellotriose C18H32O16 504.169035 NA MeJP NA NA +MJ074721 D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose C18H32O16 504.169035 NA MeJP NA NA +MJ074722 Raffinose C18H32O16 504.169035 NA MeJP NA NA +MetaCyc03733 β-D-fructofuranosyl-(2->1)-β-D-fructofuranosyl α-D-glucopyranoside [2-[2-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl] oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl] oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol;1F-β-D-fructosylsucrose;] C18H32O16 504.169035 NA metacyc NA NA +MetaCyc03734 6F-α-D-galactosylsucrose [Planteose;] C18H32O16 504.169035 470-57-5 metacyc NA NA +MetaCyc03735 raffinose [melitose;melitriose;gossypose;6G-α-D-galactosylsucrose;] C18H32O16 504.169035 512-69-6 metacyc NA NA +MetaCyc03736 6G-kestotriose [kestotriose;] C18H32O16 504.169035 NA metacyc NA NA +MetaCyc03737 6-kestotriose [6-kestose;] C18H32O16 504.169035 NA metacyc NA NA +MetaCyc03738 1-kestotriose [1-kestose;] C18H32O16 504.169035 NA metacyc NA NA +MetaCyc03739 maltodextrin [4-{(1,4)-α-D-glucosyl}(n-1)-D-glucose;maltodextrins;maltodextrin(n);maltodextrin(n-2);n+2 maltodextrin;linear maltodextrin;] C18H32O16 504.169035 NA metacyc NA NA +MetaCyc03740 laminarin [Laminaran;] C18H32O16 504.169035 9008-22-4 metacyc NA NA +MetaCyc03741 maltotriose [Amylotriose;] C18H32O16 504.169035 1109-28-0 metacyc NA NA +MetaCyc03742 cellotriose [2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol;] C18H32O16 504.169035 33404-34-1 metacyc NA NA +HMDB01262 Maltotriose C18H32O16 504.169037 NA HMDB2010 NA NA +HMDB03213 Raffinose C18H32O16 504.169037 NA HMDB2010 NA NA +HMDB03539 Levan C18H32O16 504.169037 NA HMDB2010 NA NA +HMDB06599 3-Galactosyllactose C18H32O16 504.169037 NA HMDB2010 NA NA +HMDB06857 Dextrin C18H32O16 504.169037 NA HMDB2010 NA NA +HMDB11729 1-Kestose C18H32O16 504.169037 NA HMDB2010 NA NA +HMDB11730 Melezitose C18H32O16 504.169037 NA HMDB2010 NA NA +HMDB01262 Maltotriose C18H32O16 504.16904 http://www.hmdb.ca/metabolites/HMDB01262 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03213 Raffinose C18H32O16 504.16904 http://www.hmdb.ca/metabolites/HMDB03213 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01262 Maltotriose C18H32O16 504.16904 http://www.hmdb.ca/metabolites/HMDB01262 HMDB NA NA +HMDB03213 Raffinose C18H32O16 504.16904 http://www.hmdb.ca/metabolites/HMDB03213 HMDB NA NA +HMDB03539 Levan C18H32O16 504.16904 http://www.hmdb.ca/metabolites/HMDB03539 HMDB NA NA +HMDB06599 3-Galactosyllactose C18H32O16 504.16904 http://www.hmdb.ca/metabolites/HMDB06599 HMDB NA NA +HMDB06857 Dextrin C18H32O16 504.16904 http://www.hmdb.ca/metabolites/HMDB06857 HMDB NA NA +HMDB01262 Maltotriose C18H32O16 504.16904 http://www.hmdb.ca/metabolites/HMDB01262 PFEM_hmdb_metabocards_blood NA blood +HMDB03213 Raffinose C18H32O16 504.16904 http://www.hmdb.ca/metabolites/HMDB03213 PFEM_hmdb_metabocards_blood NA blood +HMDB01262 Maltotriose C18H32O16 504.16904 HMDB01262 PFEM_hmdb_metabocards_official NA NA +HMDB03213 Raffinose C18H32O16 504.16904 HMDB03213 PFEM_hmdb_metabocards_official NA NA +HMDB03539 Levan C18H32O16 504.16904 HMDB03539 PFEM_hmdb_metabocards_official NA NA +HMDB06599 3-Galactosyllactose C18H32O16 504.16904 HMDB06599 PFEM_hmdb_metabocards_official NA NA +HMDB06857 Dextrin C18H32O16 504.16904 HMDB06857 PFEM_hmdb_metabocards_official NA NA +MJ074723 Antibiotic TAN 1532B C29H28O8 504.178417 NA MeJP NA NA +MJ074724 Binankadsurin A; 7-Ketone, benzoyl C29H28O8 504.178417 NA MeJP NA NA +MJ074725 Deacylinteriorin; 7-Benzoyl C29H28O8 504.178417 NA MeJP NA NA +MJ074726 Deacylschiarisanrin; 10-Benzoyl C29H28O8 504.178417 NA MeJP NA NA +MJ074727 Gomisin R; Benzoyl C29H28O8 504.178417 NA MeJP NA NA +MJ074728 Oxokadsurane; Benzoyl C29H28O8 504.178417 NA MeJP NA NA +PJ003054 NNEE C18H28N6O11 504.1816 NA PeJP NA NA +PJ003055 SMMH C19H32N6O6S2 504.1825 NA PeJP NA NA +MJ074729 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-2-O-acetyl-?-D-glucopyranoside] C22H32O13 504.184291 NA MeJP NA NA +MJ074730 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1,4'-di-O-?-D-glucopyranoside C22H32O13 504.184291 NA MeJP NA NA +MJ074731 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C22H32O13 504.184291 NA MeJP NA NA +MJ074732 Diderroside; O-De-Ac, O-tigloyl C22H32O13 504.184291 NA MeJP NA NA +PJ003056 PEEM C20H32N4O9S 504.189 NA PeJP NA NA +PJ003057 GSNNN C17H28N8O10 504.1929 NA PeJP NA NA +PJ003058 GNEW C22H28N6O8 504.1969 NA PeJP NA NA +MJ074733 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, di-Ac C26H32O10 504.199547 NA MeJP NA NA +MJ074734 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-2-acetoxymethyl-2E-butenoyl), 3-Ac C26H32O10 504.199547 NA MeJP NA NA +MJ074735 4,18:12,20:15,16-Triepoxy-6,19,20-trihydroxy-13(16),14-clerodadien-7-one, Tri-Ac C26H32O10 504.199547 NA MeJP NA NA +MJ074736 4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, Tri-Ac C26H32O10 504.199547 NA MeJP NA NA +MJ074737 4,18:7,20:15,16-Triepoxy-12,19,20-trihydroxy-13(16),14-clerodadien-6-one, 12,19,20-Tri-Ac C26H32O10 504.199547 NA MeJP NA NA +MJ074738 Galeon, 9-(?-D-Glucopyranosyloxy) C26H32O10 504.199547 NA MeJP NA NA +MJ074739 Galeon, 16-?-D-Glucopyranosyloxy C26H32O10 504.199547 NA MeJP NA NA +MJ074740 Homoegonol; O-?-D-Glucopyranoside C26H32O10 504.199547 NA MeJP NA NA +MJ074741 Teulanigeral C26H32O10 504.199547 NA MeJP NA NA +MJ074742 Teulanigeridin C26H32O10 504.199547 NA MeJP NA NA +MJ074743 Teulanigin C26H32O10 504.199547 NA MeJP NA NA +PJ003059 GSPNM C19H32N6O8S 504.2003 NA PeJP NA NA +MJ074744 Chlorhexidine C22H30Cl2N10 504.203196 NA MeJP NA NA +C06902 Chlorhexidine C22H30Cl2N10 504.2032 NA KEGG NA NA +C06903 Transferred to D00268 C22H30Cl2N10 504.2032 NA KEGG NA NA +C06904 Transferred to D00269 C22H30Cl2N10 504.2032 NA KEGG NA NA +MJ074745 Asterridinone C32H28N2O4 504.204907 NA MeJP NA NA +MJ074746 Asterriquinone D; 6''-(3-Methyl-1,3-butadienyl), 6'-(3-methyl-2-butenyl), di-O-de-Me C32H28N2O4 504.204907 NA MeJP NA NA +MJ074747 Cochliodinone C32H28N2O4 504.204907 NA MeJP NA NA +PJ003060 VEEE C20H32N4O11 504.2068 NA PeJP NA NA +PJ003061 PDHH C21H28N8O7 504.2081 NA PeJP NA NA +MJ074748 1,10-Bis(2-hydroxyethylthio)decane; Bis(3-pyridinecarbonyl) C26H36N2O4S2 504.211649 NA MeJP NA NA +PJ003062 NWW C26H28N6O5 504.2121 NA PeJP NA NA +FL3FALNP0018 Heterophyllin C30H32O7 504.2148 - knapsack NA NA +FL3FRNNP0002 Artocommunol CC;(9S)-8,9-Dihydro-6,12-dihydroxy-9-(1-hydroxy-1-methylethyl)-3-methyl-3-(4-methyl-3-pentenyl)-3H,7H-pyrano[2',3':7,8][1]benzopyrano[3,2-d][1]benzoxepin-7-one C30H32O7 504.2148 502627-55-6 knapsack NA NA +FL4DRNNP0002 Sorocein D C30H32O7 504.2148 157382-81-5 knapsack NA NA +FL4DRNNP0003 Sorocein E C30H32O7 504.2148 163633-91-8 knapsack NA NA +FL4DRNNP0004 Sanggenon L C30H32O7 504.2148 92280-13-2 knapsack NA NA +FL5FACNP0002 Broussoflavonol D C30H32O7 504.2148 104494-30-6 knapsack NA NA +FL5FACNP0004 Poinsettifolin A;2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-8-methyl-6-(3-methyl-2-butenyl)-8-(4-methyl-3-pentenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C30H32O7 504.2148 211183-24-3 knapsack NA NA +FL5FACNP0007 Dorsmanin C;2-(3,4-Dihydroxyphenyl)-6-[(2E)-3,7-dimethyl-2,6-octadienyl]-3,5-dihydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C30H32O7 504.2148 211307-52-7 knapsack NA NA +FLIG1LNI0007 Euchretin C;5,7,4',5'-Tetrahydroxy-6,8,3'-triprenylcoumaronochromone C30H32O7 504.2148 125002-86-0 knapsack NA NA +MJ074749 Artocarpol B C30H32O7 504.214803 NA MeJP NA NA +MJ074750 Artonin G C30H32O7 504.214803 NA MeJP NA NA +MJ074751 Broussoflavonol D C30H32O7 504.214803 NA MeJP NA NA +MJ074752 Dorsmanin C C30H32O7 504.214803 NA MeJP NA NA +MJ074753 Euchretin C C30H32O7 504.214803 NA MeJP NA NA +MJ074754 Heterophyllin C30H32O7 504.214803 NA MeJP NA NA +MJ074755 Lactucin 8-O-hypoglabrate C30H32O7 504.214803 NA MeJP NA NA +MJ074756 Poinsettifolin A C30H32O7 504.214803 NA MeJP NA NA +MJ074757 Poinsettifolin B C30H32O7 504.214803 NA MeJP NA NA +MJ074758 Sanggenon L C30H32O7 504.214803 NA MeJP NA NA +MJ074759 Sorocein D C30H32O7 504.214803 NA MeJP NA NA +MJ074760 Sorocein E C30H32O7 504.214803 NA MeJP NA NA +PJ003063 AMHF C23H32N6O5S 504.2155 NA PeJP NA NA +PJ003064 NDKE C19H32N6O10 504.218 NA PeJP NA NA +MJ074761 6-Pentyl-1,2,4-benzenetriol; 2-Me ether, 4-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C23H36O12 504.220676 NA MeJP NA NA +MJ074762 Furcatoside C C23H36O12 504.220676 NA MeJP NA NA +MJ074763 Patrinoside; 10-Ac C23H36O12 504.220676 NA MeJP NA NA +MJ074764 Patrinoside; 3'-Ac C23H36O12 504.220676 NA MeJP NA NA +PJ003065 PPEY C24H32N4O8 504.222 NA PeJP NA NA +PJ003066 SNER C18H32N8O9 504.2292 NA PeJP NA NA +PJ003067 GGSER C18H32N8O9 504.2293 NA PeJP NA NA +CJneg0635 Androsterone glucuronide [(M+Cl)]- (37Cl) C25H38Cl037ClO8 504.230925 C18rt(min)=8.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0635 Androsterone glucuronide [(M+Cl)]- (37Cl) C25H38Cl037ClO8 504.230925 C18rt(min)=8.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +PJ003068 GDKW C23H32N6O7 504.2333 NA PeJP NA NA +MJ074765 11,12-Epoxy-2,4,14-trihydroxy-5,8(17)-briaradien-18,7-olide; 2-Propanoyl, 4,14-di-Ac C27H36O9 504.235932 NA MeJP NA NA +MJ074766 18,19-Epoxy-2,6,18,19-tetrahydroxy-15-nor-3,12-clerodadien-14-al, 2-(Methylpropenoyl), 18,19-di-Ac C27H36O9 504.235932 NA MeJP NA NA +MJ074767 3,3',4,4',5,9,9'-Heptahydroxylignan, 3,3',4,4',5-Penta-Me ether, 9,9'-di-Ac C27H36O9 504.235932 NA MeJP NA NA +MJ074768 Clavulones, 20-Acetoxy C27H36O9 504.235932 NA MeJP NA NA +MJ074769 Crocetin, ?-D-Flucopyranosyl Me diester C27H36O9 504.235932 NA MeJP NA NA +MJ074770 Ryanodol; 3-Benzoyl C27H36O9 504.235932 NA MeJP NA NA +MJ074771 Simarolide C27H36O9 504.235932 NA MeJP NA NA +MJ074772 Xylarin C27H36O9 504.235932 NA MeJP NA NA +PJ003069 VQQM C20H36N6O7S 504.2366 NA PeJP NA NA +PJ003070 GGGALM C20H36N6O7S 504.2367 NA PeJP NA NA +C15628 SR 12813 C24H42O7P2 504.2406 NA KEGG NA NA +PJ003071 GSRW C22H32N8O6 504.2445 NA PeJP NA NA +PJ003072 AQMR C19H36N8O6S 504.2479 NA PeJP NA NA +FL2FADNP0001 Amoricin C31H36O6 504.25118 119347-01-2 knapsack NA NA +FL3FALNI0010 Brosimone H C31H36O6 504.25118 123064-85-7 knapsack NA NA +MJ074773 1,4,9-Trihydroxydihydro-?-agarofuran, 1-Benzoyl, 9-cinnamoyl C31H36O6 504.251188 NA MeJP NA NA +MJ074774 2',4',5,7-Tetrahydroxy-3',6,8-triprenylisoflavone; 2'-Me ether C31H36O6 504.251188 NA MeJP NA NA +MJ074775 Amoridin, 3'-Me ether C31H36O6 504.251188 NA MeJP NA NA +MJ074776 Brosimone H C31H36O6 504.251188 NA MeJP NA NA +MJ074777 Isoamoridin, 3'-Me ether C31H36O6 504.251188 NA MeJP NA NA +MJ074778 Betamethasone; 17,21-Dipropanoyl C28H37FO7 504.252331 NA MeJP NA NA +MJ074779 Betamethasone; 17-(2-Methylpropanoyl), 21-Ac C28H37FO7 504.252331 NA MeJP NA NA +3290 NA KRDS 504.2539 celiac toxic Inhouse_peptide NA peptide +PJ003073 TQKE C20H36N6O9 504.2544 NA PeJP NA NA +MJ074780 4,7-Megastigmadiene-3,9-diol, 9-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C24H40O11 504.257062 NA MeJP NA NA +MJ074781 7-Megastigmene-3,9-diol, 9-Ketone, 3-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C24H40O11 504.257062 NA MeJP NA NA +MJ074782 9-Hydroxy-4-megastigmen-3-one, O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C24H40O11 504.257062 NA MeJP NA NA +MJ074783 9-Hydroxy-4-megastigmen-3-one, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C24H40O11 504.257062 NA MeJP NA NA +MJ074784 9-Hydroxy-4-megastigmen-3-one, O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C24H40O11 504.257062 NA MeJP NA NA +MJ074785 Antibiotic MR 387A C25H36N4O7 504.258399 NA MeJP NA NA +PJ003074 PLEF C25H36N4O7 504.2584 NA PeJP NA NA +PJ003075 ACRR C18H36N10O5S 504.2591 NA PeJP NA NA +PJ003076 LLEM C22H40N4O7S 504.2618 NA PeJP NA NA +MJ074786 20-Hydroxycylindrocarine; N-(3-Phenylpropanoyl) C30H36N2O5 504.262422 NA MeJP NA NA +PJ003077 SDKR C19H36N8O8 504.2656 NA PeJP NA NA +2900 neuropeptide from eyestalk of Macrobrachium rosenb ADKNFLRF~ 504.2689 MH2+ Inhouse_peptide NA peptide +PJ003078 ATKW C24H36N6O6 504.2697 NA PeJP NA NA +C03634 Phorbol 12,13-dibutanoate C28H40O8 504.2723 NA KEGG NA NA +C03635 Protein N-ubiquityllysine C28H40O8 504.2723 NA KEGG NA NA +C03636 Protein N5-alkylglutamine C6H8N3O3R3 504.2723 NA KEGG NA NA +C03637 Protein serine D-xyloside C9H14N2O7R2 504.2723 NA KEGG NA NA +C03638 RNA 3'-terminal-phosphate C10H18O13P2R2 504.2723 NA KEGG NA NA +C15537 Taxuyunnanin C C28H40O8 504.2723 NA KEGG NA NA +MJ074787 1(15),8(19)-Trinervitadiene-2,3,9,11-tetrol, 11-Epimer, 2,3,9,11-tetra-Ac C28H40O8 504.272318 NA MeJP NA NA +MJ074788 1(15),8(19)-Trinervitadiene-2,3,9,11-tetrol, 2,3,9,11-Tetra-Ac C28H40O8 504.272318 NA MeJP NA NA +MJ074789 1(15),8(19)-Trinervitadiene-2,3,9,13-tetrol, 2,3,9,13-Tetra-Ac C28H40O8 504.272318 NA MeJP NA NA +MJ074790 12,20-Epoxy-3-hydroxy-14,17-pregn-5-ene-11,15-dione, 3-O-(3-O-Methyl-D-fucoside) C28H40O8 504.272318 NA MeJP NA NA +MJ074791 18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 2-(Methylpropanoyl), 18,19-di-Ac C28H40O8 504.272318 NA MeJP NA NA +MJ074792 18,19-Epoxy-3,12,14-clerodatriene-2,7,18,19-tetrol, 7-Butanoyl, 18,19-di-Ac C28H40O8 504.272318 NA MeJP NA NA +MJ074793 18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 2-(2-Methylpropanoyl), 18,19-di-Ac C28H40O8 504.272318 NA MeJP NA NA +MJ074794 22-Deacetylyanuthone A; 22-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl) C28H40O8 504.272318 NA MeJP NA NA +MJ074795 3,8,14-Trihydroxypregna-5,11-dien-18,20-olide, 3-O-?-D-Diginopyranoside C28H40O8 504.272318 NA MeJP NA NA +MJ074796 4(20),11-Taxadiene-2,5,10,14-tetrol, Tetra-Ac C28H40O8 504.272318 NA MeJP NA NA +MJ074797 4(20),11-Taxadiene-5,9,10,13-tetrol, Tetra-Ac C28H40O8 504.272318 NA MeJP NA NA +MJ074798 5,6,12,21,27-Pentahydroxy-1-oxowitha-2,24-dienolide C28H40O8 504.272318 NA MeJP NA NA +MJ074799 5,6,7,12-Tetrahydroxy-1-oxowitha-2,24-dienolide, 24?,25?-Epoxide C28H40O8 504.272318 NA MeJP NA NA +MJ074800 8,14,17,20,27-Pentahydroxy-1-oxowitha-5,24-dienolide C28H40O8 504.272318 NA MeJP NA NA +MJ074801 9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 16-Hydroxy, 12-hexanoyl, 13-Ac C28H40O8 504.272318 NA MeJP NA NA +MJ074802 Abrotanifolone C28H40O8 504.272318 NA MeJP NA NA +MJ074803 Amalogenin A; 3-O-?-D-Diginopyranoside C28H40O8 504.272318 NA MeJP NA NA +MJ074804 Digifologenin; 3-O-(2,6-Dideoxy-3-O-methyl-?-D-arabino-hexopyranoside) C28H40O8 504.272318 NA MeJP NA NA +MJ074805 Digifologenin; 3-O-(2-Deoxy-3-O-methyl-?-D-fucopyranoside) C28H40O8 504.272318 NA MeJP NA NA +MJ074806 Glaucogenin C; 3-O-?-D-Oleandropyranoside C28H40O8 504.272318 NA MeJP NA NA +MJ074807 Ixocarpalactone A C28H40O8 504.272318 NA MeJP NA NA +MJ074808 Macrophorin A; 7'-O-(3-Hydroxy-3-methylglutaroyl) C28H40O8 504.272318 NA MeJP NA NA +MJ074809 Mellerin B C28H40O8 504.272318 NA MeJP NA NA +MJ074810 O-Demethylstriatin C; 10-Deoxy, O15-Me, 30-Ac C28H40O8 504.272318 NA MeJP NA NA +MJ074811 Withajardin E C28H40O8 504.272318 NA MeJP NA NA +MJ074812 Withanolide S C28H40O8 504.272318 NA MeJP NA NA +MetaCyc03743 taxuyunnanin C [] C28H40O8 504.272318 NA metacyc NA NA +PJ003079 VQKM C21H40N6O6S 504.273 NA PeJP NA NA +MJ074813 Amphibine F C29H36N4O4 504.273655 NA MeJP NA NA +MJ074814 Ceanothine B C29H36N4O4 504.273655 NA MeJP NA NA +MJ074815 Lotusine A; N-De-Me C29H36N4O4 504.273655 NA MeJP NA NA +C10001 Ceanothine B C29H36N4O4 504.2737 NA KEGG NA NA +PJ003080 SSRR C18H36N10O7 504.2769 NA PeJP NA NA +PJ003081 VLHH C23H36N8O5 504.2809 NA PeJP NA NA +2628 synthetic fr,of human beta-CN (49-52) ACE inhibitor LIYP 504.283 NA Inhouse_peptide NA peptide +PJ003082 AKMR C20H40N8O5S 504.2843 NA PeJP NA NA +PJ003083 TKKE C21H40N6O8 504.2908 NA PeJP NA NA +PJ003084 PLLY C26H40N4O6 504.2948 NA PeJP NA NA +PJ003085 TTKR C20H40N8O7 504.302 NA PeJP NA NA +MJ074816 Streptin P1 C25H40N6O5 504.306018 NA MeJP NA NA +MJ074817 1,3,5,23,24-Pentahydroxy-30-nor-12,20(29)-oleanadien-28-oic acid C29H44O7 504.308703 NA MeJP NA NA +MJ074818 13,16-Epoxy-24,25-dihydroxy-17-cheilanthen-19,25-olide, 24-(3-Hydroxybutanoyl) C29H44O7 504.308703 NA MeJP NA NA +MJ074819 13,24,25-Trihydroxy-15,17-cheilanthadien-19,25-olide, 24-(3-Hydroxybutanoyl) C29H44O7 504.308703 NA MeJP NA NA +MJ074820 18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 6-Deoxy, 2-(2-methylbutanoyl), 3,4-dihydro, 18,19-di-Ac C29H44O7 504.308703 NA MeJP NA NA +MJ074821 2,3,14,20,22-Pentahydroxycholesta-4,7-dien-6-one, 2-Ac C29H44O7 504.308703 NA MeJP NA NA +MJ074822 2,3,14,20,22-Pentahydroxycholesta-4,7-dien-6-one, 3-Ac C29H44O7 504.308703 NA MeJP NA NA +MJ074823 2,3,16,17-Phyllocladanetetrol, 2-(3-Methyl-2-butenoyl), 3,17-di-Ac C29H44O7 504.308703 NA MeJP NA NA +MJ074824 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-ribo-hexopyranoside) C29H44O7 504.308703 NA MeJP NA NA +MJ074825 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-xylo-hexopyranoside) C29H44O7 504.308703 NA MeJP NA NA +MJ074826 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-ribo-hexopyranoside) C29H44O7 504.308703 NA MeJP NA NA +MJ074827 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-D-xylo-hexopyranoside) C29H44O7 504.308703 NA MeJP NA NA +MJ074828 3,14-Dihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-?-D-arabino-hexopyranoside] C29H44O7 504.308703 NA MeJP NA NA +MJ074829 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-D-xylo-hexopyranoside) C29H44O7 504.308703 NA MeJP NA NA +MJ074830 5,6-Epoxy-3,4,20-trihydroxy-1-oxowithanolide, 3-Me ether C29H44O7 504.308703 NA MeJP NA NA +MJ074831 Atroxigenic acid C29H44O7 504.308703 NA MeJP NA NA +MJ074832 Capitasterone C29H44O7 504.308703 NA MeJP NA NA +PJ003086 VKKM C22H44N6O5S 504.3094 NA PeJP NA NA +MJ074833 Protomethine; N9-(4-Methoxy-E-cinnamoyl) C30H40N4O3 504.310041 NA MeJP NA NA +MJ074834 Protomethine; N9-(4-Methoxy-Z-cinnamoyl) C30H40N4O3 504.310041 NA MeJP NA NA +MJ074835 Protoverbine; N9-E-Cinnamoyl, N14-Ac C30H40N4O3 504.310041 NA MeJP NA NA +MJ074836 Protoverbine; N9-Z-Cinnamoyl, N14-Ac C30H40N4O3 504.310041 NA MeJP NA NA +MJ074837 Dipyridamole C24H40N8O4 504.317251 NA MeJP NA NA +MJ074838 Eudesobovatol A C33H44O4 504.323959 NA MeJP NA NA +MJ074839 Eudesobovatol B C33H44O4 504.323959 NA MeJP NA NA +C10562 Eudesobovatol A C33H44O4 504.324 NA KEGG NA NA +MJ074840 Glycolipid A C26H48O9 504.329833 NA MeJP NA NA +PJ003087 LLLF C27H44N4O5 504.3312 NA PeJP NA NA +MJ074841 1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074842 1,2,3,23-Tetrahydroxy-12-oleanen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074843 1,2,3,24-Tetrahydroxy-12-oleanen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074844 1,2,3,24-Tetrahydroxy-12-ursen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074845 1,3,16,23-Tetrahydroxy-12-oleanen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074846 1,3,19,23-Tetrahydroxy-12-ursen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074847 1,3,22-Trihydroxy-24-oxocycloartan-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074848 11,23,24,25-Tetrahydroxyprotost-13(17)-ene-3,16-dione C30H48O6 504.345089 NA MeJP NA NA +MJ074849 11-Hydroperoxy-3,23-dihydroxy-12-oleanen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074850 12-Oleanene-3,15,16,21,22,28-hexol, 3-Ketone C30H48O6 504.345089 NA MeJP NA NA +MJ074851 12-Oleanene-3,16,21,22,23,28-hexol, 23-Aldehyde C30H48O6 504.345089 NA MeJP NA NA +MJ074852 16,23:16,24-Diepoxy-3,6,7,25-cycloartanetetrol C30H48O6 504.345089 NA MeJP NA NA +MJ074853 2,3,11,19-Tetrahydroxy-12-ursen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074854 2,3,13,16-Tetrahydroxy-23,28-oleananedioic acid, 23-Alcohol, 28?13 lactone C30H48O6 504.345089 NA MeJP NA NA +MJ074855 2,3,16,20,25-Pentahydroxycucurbita-5,23-dien-11-one C30H48O6 504.345089 NA MeJP NA NA +MJ074856 2,3,16,20,25-Pentahydroxycucurbita-5,23-dien-22-one C30H48O6 504.345089 NA MeJP NA NA +MJ074857 2,3,16,21-Tetrahydroxy-12-oleanen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074858 2,3,16,23-Tetrahydroxy-12-oleanen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074859 2,3,19,22-Tetrahydroxy-12-ursen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074860 2,3,19,23-Tetrahydroxy-12-oleanen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074861 2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074862 2,3,19,24-Tetrahydroxy-12-oleanen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074863 2,3,19,24-Tetrahydroxy-12-ursen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074864 2,3,21,23-Tetrahydroxy-12-oleanen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074865 2,3,23,24-Tetrahydroxy-12-oleanen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074866 2,3,23,24-Tetrahydroxy-12-ursen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074867 2,3,23,30-Tetrahydroxy-12-oleanen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074868 2,3,6,23-Tetrahydroxy-12-oleanen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074869 2,3,6,23-Tetrahydroxy-12-ursen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074870 2,3,6,23-Tetrahydroxy-20(29)-lupen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074871 2,3,7,19-Tetrahydroxy-12-ursen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074872 2,3,7,23-Tetrahydroxy-12-oleanen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074873 2,9:3,16-Diepoxy-6-asbestinene-4,11-diol, 4-Octanoyl, 11-Ac C30H48O6 504.345089 NA MeJP NA NA +MJ074874 28-Nor-12-oleanene-2,3,16,17,23-pentol, 17-Formyl C30H48O6 504.345089 NA MeJP NA NA +MJ074875 3,16,20,22,25-Pentahydroxycucurbita-5,23-dien-11-one C30H48O6 504.345089 NA MeJP NA NA +MJ074876 3,16,21,30-Tetrahydroxy-12-oleanen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074877 3,19,21,23-Tetrahydroxy-12-taraxasten-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074878 3,19,21,23-Tetrahydroxy-12-ursen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074879 3,19,23,24-Tetrahydroxy-12-oleanen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074880 3,19,23,24-Tetrahydroxy-12-ursen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074881 3,21,22,24-Tetrahydroxy-12-oleanen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074882 3,21,22,24-Tetrahydroxy-12-oleanen-29-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074883 3,5,6,24-Tetrahydroxy-12-ursen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074884 3,6,19,23-Tetrahydroxy-12-oleanen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074885 3,6,19,23-Tetrahydroxy-12-ursen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074886 3,6,19,24-Tetrahydroxy-12-ursen-28-oic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074887 7,14-Labdadiene-2,3,13,20-tetrol, 2-Angeloyl, 20-(2-methylbutanoyl) C30H48O6 504.345089 NA MeJP NA NA +MJ074888 Centoic acid C30H48O6 504.345089 NA MeJP NA NA +MJ074889 Cycloasgenin A C30H48O6 504.345089 NA MeJP NA NA +MJ074890 Ergosta-7,24(28)-diene-1,3,16,20,23-pentol, 16-Ac C30H48O6 504.345089 NA MeJP NA NA +MJ074891 Ergosta-7,24(28)-diene-3,5,6,9,11-pentol, 6-Ac C30H48O6 504.345089 NA MeJP NA NA +MJ074892 Buxanoldine; 31-Deoxy C33H48N2O2 504.371578 NA MeJP NA NA +MJ074893 Buxidienine I; 30-Deoxy, N20,N20-di-Me, N3-benzoyl C33H48N2O2 504.371578 NA MeJP NA NA +MJ074894 Buxodienine I; N3,N3-Di-Me, N20-benzoyl C33H48N2O2 504.371578 NA MeJP NA NA +MJ074895 Cycloxobuxine I; N20,N20-Di-Me, N3-benzoyl C33H48N2O2 504.371578 NA MeJP NA NA +MJ074896 ?-Agatoxin AG 488; 4-Hydroxy C27H49N6O3(+) 504.378789 NA MeJP NA NA +MJ074897 11,23,24,25-Tetrahydroxyprotost-13(17)-en-3-one, 25-Me ether C31H52O5 504.381474 NA MeJP NA NA +MJ074898 7,24,25,26-Tetrahydroxylanost-8-en-3-one, 7-Me ether C31H52O5 504.381474 NA MeJP NA NA +MJ074899 Aragusterol A; Di-Me ketal C31H52O5 504.381474 NA MeJP NA NA +MJ074900 Baleabuxaline I; N20,N20-Di-Me, N3-(2-methylpropanoyl) C30H52N2O4 504.392708 NA MeJP NA NA +MJ074901 Plagiospirolide A C35H52O2 504.39673 NA MeJP NA NA +HMDB06455 Arachidonyl carnitine C31H54NO4 504.40527 http://www.hmdb.ca/metabolites/HMDB06455 HMDB NA NA +HMDB06455 Arachidonyl carnitine C31H54NO4 504.40527 HMDB06455 PFEM_hmdb_metabocards_official NA NA +HMDB06455 Arachidonyl carnitine C31H54NO4 504.405273 NA HMDB2010 NA NA +MJ074902 Cycloprotobuxine I; N3,N20,N20-Tri-Me, N3-benzoyl C34H52N2O 504.407964 NA MeJP NA NA +MJ074903 16,17,19-Kauranetriol, 19-Dodecanoyl C32H56O4 504.41786 NA MeJP NA NA +MJ074904 3,16,21,22-Hopanetetrol, 22-Et ether C32H56O4 504.41786 NA MeJP NA NA +MJ074905 2,6,10-Farnesatriene-1,9-diol, 6,7-Dihydro, 1-(9-octadecenoyl) C33H60O3 504.454245 NA MeJP NA NA +MJ074906 Anaphalisone C33H60O3 504.454245 NA MeJP NA NA +MJ074907 1,7-Pentatriacontadien-11-ol C35H68O 504.527016 NA MeJP NA NA +MJ074908 21-Methyl-8-pentatriacontene C36H72 504.563402 NA MeJP NA NA +2918 neuropeptide from eyestalk of Macrobrachium rosenb KNEFIRFG 504.76045 MH2+ Inhouse_peptide NA peptide +MJ074909 Purealidin J, 12,13-Dihydro, 13-oxo (12RS)- C15H17Br2N5O5 504.959643 NA MeJP NA NA +MJ074910 3'-Keto-3'-deoxy-ATP C10H14N5O13P3 504.980095 NA MeJP NA NA +C07024 3'-Keto-3'-deoxy-ATP C10H14N5O13P3 504.9801 NA KEGG NA NA +MJ074911 Fluazuron C20H10Cl2F5N3O3 505.001937 NA MeJP NA NA +MJ074912 Bis(gluconato-O,O')oxotechnetate(1-) C12H22O15Tc(-) 505.01091 NA MeJP NA NA +HMDB01512 Thiamin triphosphate C12H20N4O10P3S 505.01129 http://www.hmdb.ca/metabolites/HMDB01512 HMDB NA NA +HMDB01512 Thiamin triphosphate C12H20N4O10P3S 505.01129 HMDB01512 PFEM_hmdb_metabocards_official NA NA +HMDB01512 Thiamin triphosphate C12H20N4O10P3S 505.011292 NA HMDB2010 NA NA +MJ074913 Thiamin triphosphate C12H20N4O10P3S 505.011298 NA MeJP NA NA +MetaCyc03744 thiamin triphosphate [Thiamine triphosphate;] C12H20N4O10P3S1 505.011298 15666-52-1 metacyc NA NA +EUR208 thiamin triphosphate C12H20N4O10P3S 505.0113 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR208 thiamin triphosphate C12H20N4O10P3S 505.0113 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR208 thiamin triphosphate C12H20N4O10P3S 505.0113 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR208 thiamin triphosphate C12H20N4O10P3S 505.0113 Wishlist Inhousejuil11 NA NA +C03028 Thiamin triphosphate C12H20N4O10P3S 505.0113 NA KEGG NA NA +C03029 Transferrin[Fe(II)]2 C12H20N4O10P3S 505.0113 NA KEGG NA NA +EUR208 Thiamin triphosphate C12H20N4O10P3S 505.011307 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR208 Thiamin triphosphate C12H20N4O10P3S 505.011307 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR208 Thiamin triphosphate C12H20N4O10P3S 505.011307 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR208 Thiamin triphosphate C12H20N4O10P3S 505.011307 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR208 Thiamin triphosphate C12H20N4O10P3S 505.011307 Wishlist HMDB NA NA +EUR208 Thiamin triphosphate C12H20N4O10P3S 505.011307 Wishlist Inhouse_PFEM NA NA +EUR208 Thiamin triphosphate C12H20N4O10P3S 505.011307 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR208 Thiamin triphosphate C12H20N4O10P3S 505.011307 Wishlist PFEM_hmdb_metabocards_official NA NA +MJ074914 5'-Adenylic acid monoanhydride with methylenebis[phosphonic acid] C11H18N5O12P3 505.01648 NA MeJP NA NA +MJ074915 Adenosine 5'-[hydrogen [[hydroxy(phosphonooxy)phosphosphinyl]methyl]phosphonate] C11H18N5O12P3 505.01648 NA MeJP NA NA +C13740 alpha,beta-Methylene ATP C11H18N5O12P3 505.0165 NA KEGG NA NA +C13741 beta,gamma-Methylene ATP C11H18N5O12P3 505.0165 NA KEGG NA NA +MJ074916 Sporidesmin C C18H20ClN3O6S3 505.020275 NA MeJP NA NA +MJ074917 Sporidesmin E C18H20ClN3O6S3 505.020275 NA MeJP NA NA +MJ074918 Dihydroxanthommatin, 5-O-Sulfate C20H15N3O11S 505.042729 NA MeJP NA NA +MJ074919 Tropesin C28H24ClNO6 505.129215 NA MeJP NA NA +MJ074920 Polyoxin E C17H23N5O13 505.129235 NA MeJP NA NA +MJ074921 N-[4-[2-[[3-[3-(Aminosulfonyl)phenoxy]-2-hydroxypropyl]amino]ethyl]phenyl]benzenesulfonamide C23H27N3O6S2 505.134126 NA MeJP NA NA +FL7AADGL0011 Peonidin 3-(6''-acetylglucoside) C24H25O12 505.1346 129016-22-4<BR>122796-43-4<BR>114017-67-3 knapsack NA NA +PJ003088 GSCCH C17H27N7O7S2 505.1414 NA PeJP NA NA +MJ074922 10-(Methylthio)decyl glucosinolate C18H35NO9S3 505.147393 NA MeJP NA NA +PJ003089 GPCDD C18H27N5O10S 505.1479 NA PeJP NA NA +PJ003090 NDEE C18H27N5O12 505.1656 NA PeJP NA NA +PJ003091 GGDEE C18H27N5O12 505.1657 NA PeJP NA NA +PJ003092 SPPCC C19H31N5O7S2 505.1665 NA PeJP NA NA +PJ003093 GSNND C17H27N7O11 505.1769 NA PeJP NA NA +PJ003094 GDEW C22H27N5O9 505.1809 NA PeJP NA NA +PJ003095 GSPDM C19H31N5O9S 505.1843 NA PeJP NA NA +MJ074923 Alangiside C25H31NO10 505.194796 NA MeJP NA NA +MJ074924 Alkaloid LA 9 C25H31NO10 505.194796 NA MeJP NA NA +MJ074925 N-(3,4-Dihydroxycinnamoyl)dopamine, 3,3'-Di-Me ether, 4-O-?-D-glucopyranoside C25H31NO10 505.194796 NA MeJP NA NA +MJ074926 N-(3,4-Dihydroxycinnamoyl)dopamine, 3,3'-Di-Me ether, 4-O-?-D-galactopyranoside C25H31NO10 505.194796 NA MeJP NA NA +MJ074927 Neoalangiside C25H31NO10 505.194796 NA MeJP NA NA +C09330 Alangiside C25H31NO10 505.1948 NA KEGG NA NA +C11815 Isoalangiside C25H31NO10 505.1948 NA KEGG NA NA +PJ003096 NNQM C18H31N7O8S 505.1955 NA PeJP NA NA +PJ003097 DWW C26H27N5O6 505.1962 NA PeJP NA NA +PJ003098 PTCW C23H31N5O6S 505.1995 NA PeJP NA NA +MJ074928 Gymnastatin C C24H37Cl2NO6 505.199793 NA MeJP NA NA +PJ003099 TQEE C19H31N5O11 505.202 NA PeJP NA NA +PJ003100 PQMM C20H35N5O6S2 505.2029 NA PeJP NA NA +MJ074929 Tolafentrine C28H31N3O4S 505.203527 NA MeJP NA NA +PJ003101 CNNR C17H31N9O7S 505.2067 NA PeJP NA NA +PJ003102 GGGGCR C17H31N9O7S 505.2068 NA PeJP NA NA +MJ074930 Hernandaline C29H31NO7 505.210052 NA MeJP NA NA +MJ074931 Rocaglatic acid; Dimethylamide C29H31NO7 505.210052 NA MeJP NA NA +PJ003103 SDER C18H31N7O10 505.2133 NA PeJP NA NA +PJ003104 PCMR C19H35N7O5S2 505.2141 NA PeJP NA NA +PJ003105 ATEW C23H31N5O8 505.2173 NA PeJP NA NA +PJ003106 VQEM C20H35N5O8S 505.2207 NA PeJP NA NA +MJ074932 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol; Tris(3-pyridinecarbonyl) C28H31N3O6 505.221285 NA MeJP NA NA +MJ074933 Benidipine C28H31N3O6 505.221285 NA MeJP NA NA +8099 peptide derived from extruded corn gluten FPLEMMPF 505.2234 MH2+ Inhouse_peptide NA peptide +MJ074934 Amprenavir C25H35N3O6S 505.224656 NA MeJP NA NA +C08086 Amprenavir C25H35N3O6S 505.2247 NA KEGG NA NA +3662 NA ITGSE 505.226 ACE inhibitor Inhouse_peptide NA peptide +MetaCyc03745 4-[N-γ-L-glutamyl-γ-L-glutamyl-)-p-(β-aminoethyl)phenoxy-methyl]-2-(aminomethyl)furan [] C24H33N4O8 505.229839 NA metacyc NA NA +MJ074935 Nocamycin I; 8-Alcohol C26H35NO9 505.231181 NA MeJP NA NA +MJ074936 Ryanodine; 3-O-(3-Pyridinecarbonyl) analogue C26H35NO9 505.231181 NA MeJP NA NA +MJ074937 Thalifendlerine; O4'-(?-L-Mannopyranoside) C26H35NO9 505.231181 NA MeJP NA NA +PJ003107 AEMR C19H35N7O7S 505.2319 NA PeJP NA NA +PJ003108 GPFW C27H31N5O5 505.2325 NA PeJP NA NA +MJ074938 Monodontamide D C27H31N5O5 505.232519 NA MeJP NA NA +MJ074939 Triletide C27H31N5O5 505.232519 NA MeJP NA NA +CJneg0636 Androsterone glucuronide [(M+Cl)]- (13C+37Cl) C2413CH38Cl037ClO8 505.234325 C18rt(min)=8.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0636 Androsterone glucuronide [(M+Cl)]- (13C+37Cl) C2413CH38Cl037ClO8 505.234325 C18rt(min)=8.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +PJ003109 GLMW C24H35N5O5S 505.2359 NA PeJP NA NA +PJ003110 TKEE C20H35N5O10 505.2384 NA PeJP NA NA +PJ003111 PKMM C21H39N5O5S2 505.2393 NA PeJP NA NA +PJ003112 VNHH C21H31N9O6 505.2398 NA PeJP NA NA +MJ074940 1-[2-[Tris(4-methoxyphenyl)methoxy]ethyl]-3-piperidinecarboxylic acid C30H35NO6 505.246437 NA MeJP NA NA +PJ003113 TTER C19H35N7O9 505.2496 NA PeJP NA NA +PJ003114 GGGSTK C19H35N7O9 505.2497 NA PeJP NA NA +PJ003115 GHHR C20H31N11O5 505.251 NA PeJP NA NA +PJ003116 STLW C24H35N5O7 505.2537 NA PeJP NA NA +PJ003117 VKEM C21H39N5O7S 505.257 NA PeJP NA NA +PJ003118 APRY C23H35N7O6 505.2649 NA PeJP NA NA +MJ074941 Antibiotic BR 040; 8-Me ether C27H39NO8 505.267567 NA MeJP NA NA +MJ074942 Siwanine A C27H39NO8 505.267567 NA MeJP NA NA +PJ003119 SLMR C20H39N7O6S 505.2683 NA PeJP NA NA +MJ074943 Capromorelin C28H35N5O4 505.268904 NA MeJP NA NA +PJ003120 SSSLL C21H39N5O9 505.2748 NA PeJP NA NA +PJ003121 PPHR C22H35N9O5 505.2761 NA PeJP NA NA +MJ074944 Dexamethasone; 21-(Diethylaminoacetyl) C28H40FNO6 505.283966 NA MeJP NA NA +PJ003122 GSSKK C20H39N7O8 505.286 NA PeJP NA NA +PJ003123 PVKY C25H39N5O6 505.2901 NA PeJP NA NA +2825 PEP inhibitor LPPPPLPPLA 505.3005 MH2+ Inhouse_peptide NA peptide +PJ003124 ALFR C24H39N7O5 505.3013 NA PeJP NA NA +MJ074945 Bicolorine; O1,O8-Di-Me, O6,O14-di-Ac C28H43NO7 505.303952 NA MeJP NA NA +PJ003125 CKKK C21H43N7O5S 505.3047 NA PeJP NA NA +HMDB11483 LysoPE(0:0/20:2(11Z,14Z)) C25H48NO7P 505.316833 NA HMDB2010 NA NA +HMDB11513 LysoPE(20:2(11Z,14Z)/0:0) C25H48NO7P 505.316833 NA HMDB2010 NA NA +EUR661 Lyso PC 18:2 [M-H-CH3]- C26H50NO7P 505.316842 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR714 LysoPE(20:2) monoisotopic mass C25H48NO7P 505.316842 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR869 Lyso PE 20:2 monoisotopic mass C25H48NO7P 505.316842 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR661 Lyso PC 18:2 [M-H-CH3]- C26H50NO7P 505.316842 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR714 LysoPE(20:2) monoisotopic mass C25H48NO7P 505.316842 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR869 Lyso PE 20:2 monoisotopic mass C25H48NO7P 505.316842 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR661 Lyso PC 18:2 [M-H-CH3]- C26H50NO7P 505.316842 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR714 LysoPE(20:2) monoisotopic mass C25H48NO7P 505.316842 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR869 Lyso PE 20:2 monoisotopic mass C25H48NO7P 505.316842 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR661 Lyso PC 18:2 [M-H-CH3]- C26H50NO7P 505.316842 masses lipides attendues Inhousejuil11 NA NA +EUR714 LysoPE(20:2) monoisotopic mass C25H48NO7P 505.316842 masses lipides attendues Inhousejuil11 NA NA +EUR869 Lyso PE 20:2 monoisotopic mass C25H48NO7P 505.316842 masses lipides attendues Inhousejuil11 NA NA +MJ074946 Oteromycin; 4''-Hydroxy, 16,17-dihydro C32H43NO4 505.319208 NA MeJP NA NA +MJ074947 Oteromycin; Stereoisomer, 4''-hydroxy, 16,17-dihydro C32H43NO4 505.319208 NA MeJP NA NA +MJ074948 Terpendole D C32H43NO4 505.319208 NA MeJP NA NA +MJ074949 AAL Toxin; AAL Toxin TA1, 5-Deoxy C25H47NO9 505.325082 NA MeJP NA NA +MJ074950 AAL Toxin; AAL Toxin TA2, 5-Deoxy C25H47NO9 505.325082 NA MeJP NA NA +PJ003126 VLKF C26H43N5O5 505.3264 NA PeJP NA NA +C15684 Mycinamicin VIII C29H47NO6 505.3403 NA KEGG NA NA +MJ074951 Cassaine; O-(3-Hydroxy-3-methylbutanoyl) C29H47NO6 505.340338 NA MeJP NA NA +MJ074952 Mycinamycin VI; 21-(Demycinosyloxy) C29H47NO6 505.340338 NA MeJP NA NA +HMDB10408 LysoPC(P-18:1(9Z)) C26H52NO6P 505.35321 NA HMDB2010 NA NA +MJ074953 Phenalamide B C33H47NO3 505.355594 NA MeJP NA NA +MJ074954 Agel 505 C26H47N7O3 505.374038 NA MeJP NA NA +FL5FFCNSS002 Gossypetin 7,8-dimethyl ether 3,3'-disulfate;2-[4-Hydroxy-3-(sulfooxy)phenyl]-5-hydroxy-7,8-dimethoxy-3-(sulfooxy)-4H-1-benzopyran-4-one C17H14O14S2 505.98249 164163-87-5 knapsack NA NA +MJ074955 3,3',4',5,7,8-Hexahydroxyflavone; 7,8-Di-Me ether, 3,3'-di-O-sulfate C17H14O14S2 505.982496 NA MeJP NA NA +MJ074956 Viridomycin A C21H12FeN3O9 505.992296 NA MeJP NA NA +MJ074957 Dehydrotrigallic acid C21H14O15 506.033269 NA MeJP NA NA +MJ074958 Valoneaic acid C21H14O15 506.033269 NA MeJP NA NA +MJ074959 Cefditoren C19H18N6O5S3 506.050079 NA MeJP NA NA +MJ074960 ?-Rubromycin; 9'-Deoxy C26H18O11 506.084911 NA MeJP NA NA +MJ074961 Nostocyclamide M C20H22N6O4S3 506.086465 NA MeJP NA NA +MJ074962 Tenuecyclamide C C20H22N6O4S3 506.086465 NA MeJP NA NA +MJ074963 4,4',5,5'-Tetrahydroxy-7,7-dimethyl-1,1'-bianthraquinone C30H18O8 506.100167 NA MeJP NA NA +MJ074964 4-[1,4-Dihydro-3-(1-methoxy-1-methylethyl)-1,4-dioxo-2-naphthalenyl]anthra[2,3-c]furan-1,3,5,10-tetrone C30H18O8 506.100167 NA MeJP NA NA +MJ074965 Asphodelin C30H18O8 506.100167 NA MeJP NA NA +MJ074966 Bi-(4'-O-3')-daidzein C30H18O8 506.100167 NA MeJP NA NA +MJ074967 Cassiamin C C30H18O8 506.100167 NA MeJP NA NA +MJ074968 Chrysotalunin C30H18O8 506.100167 NA MeJP NA NA +MJ074969 Kudzuisoflavone A C30H18O8 506.100167 NA MeJP NA NA +MJ074970 Kudzuisoflavone B C30H18O8 506.100167 NA MeJP NA NA +MJ074971 Microcarpin C30H18O8 506.100167 NA MeJP NA NA +MJ074972 Protohypericin C30H18O8 506.100167 NA MeJP NA NA +MJ074973 Siameanin C30H18O8 506.100167 NA MeJP NA NA +C10308 Cassiamin C C30H18O8 506.1002 NA KEGG NA NA +MJ074974 Pinnaterpene A C22H36Br2O3 506.10312 NA MeJP NA NA +MJ074975 2',5,6',7,8-Pentahydroxyflavone; 7,8-Di-Me ether, 2'-O-?-D-glucuronoside C23H22O13 506.10604 NA MeJP NA NA +MJ074976 3',4',5,5',7-Pentahydroxyflavone; 3',4'-Di-Me ether, 7-O-?-D-glucuronopyranoside C23H22O13 506.10604 NA MeJP NA NA +MJ074977 3',4',5,7-Tetrahydroxy-6-methoxyflavone; 7-O-?-D-Glucuronopyranoside, Me ester C23H22O13 506.10604 NA MeJP NA NA +MJ074978 3',5,7,8-Tetrahydroxy-4'-methoxyflavone; 8-O-?-D-Glucuronopyranoside, Me ester C23H22O13 506.10604 NA MeJP NA NA +MJ074979 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-(2-O-Acetyl-?-L-rhamnopyranoside) C23H22O13 506.10604 NA MeJP NA NA +MJ074980 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-(4-O-Acetyl-?-L-fucopyranoside) C23H22O13 506.10604 NA MeJP NA NA +MJ074981 3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Glucuronopyranoside, Et ester C23H22O13 506.10604 NA MeJP NA NA +MJ074982 3,3',4',5,7-Pentahydroxyflavone; 7-Ac, 3'-O-?-D-glucopyranoside C23H22O13 506.10604 NA MeJP NA NA +MJ074983 3,4',5,6,7-Pentahydroxyflavone; 7-O-(Acetyl-?-D-glucopyranoside) C23H22O13 506.10604 NA MeJP NA NA +MJ074984 3,5,7-Trihydroxy-3',4'-dimethoxyflavone; 7-O-?-D-Glucuronopyranoside C23H22O13 506.10604 NA MeJP NA NA +MJ074985 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-?-D-Glucuronopyranoside C23H22O13 506.10604 NA MeJP NA NA +MJ074986 Ellagic acid; 2,3,8-Tri-Me ether, 7-O-?-D-galactopyranoside C23H22O13 506.10604 NA MeJP NA NA +MJ074987 Ellagic acid; 2,3,8-Tri-Me ether, 7-O-?-D-glucopyranoside C23H22O13 506.10604 NA MeJP NA NA +MJ074988 Hyperin; 3''-Ac C23H22O13 506.10604 NA MeJP NA NA +MJ074989 Hyperin; 6''-Ac C23H22O13 506.10604 NA MeJP NA NA +MJ074990 Isobiflorin; 6''-O-(3,4,5-Trihydroxybenzoyl) C23H22O13 506.10604 NA MeJP NA NA +MJ074991 Isoquercitrin; 2''-Ac C23H22O13 506.10604 NA MeJP NA NA +MJ074992 Isoquercitrin; 6''-Ac C23H22O13 506.10604 NA MeJP NA NA +MJ074993 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-(6-O-Acetyl-?-D-galactopyranoside) C23H23O13(+) 506.10604 NA MeJP NA NA +FL3FAIGS0006 Tricin 7-glucuronide C23H22O13 506.10604 32769-02-1 knapsack NA NA +FL3FAKGS0001 Tricetin 3',4'-dimethyl ether 7-glucuronide C23H22O13 506.10604 107668-76-8 knapsack NA NA +FL3FECGS0039 6-Methoxyluteolin 7-glucuronide methyl ester C23H22O13 506.10604 82657-11-2 knapsack NA NA +FL3FF8GS0007 5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide;3-Hydroxy-2-(5-hydroxy-7,8-dimethoxy-4-oxo-4H-1-benzopyran-2-yl)phenyl beta-D-glucopyranosiduronic acid C23H22O13 506.10604 133640-38-7 knapsack NA NA +FL5FACGA0026 Quercetin 3-(3''-acetylgalactoside) C23H22O13 506.10604 72659-76-8<BR>94799-72-1 knapsack NA NA +FL5FACGA0027 Quercetin 3-(6''-acetylgalactoside) C23H22O13 506.10604 94799-71-0 knapsack NA NA +FL5FACGL0053 Quercetin 3-(6''-acetylglucoside) C23H22O13 506.10604 54542-51-7 knapsack NA NA +FL5FACGS0010 Quercetin 3-(6''-ethylglucuronide) C23H22O13 506.10604 93753-28-7 knapsack NA NA +FL5FACGS0059 Quercetin 3'-glucoside-7-acetate C23H22O13 506.10604 - knapsack NA NA +FL5FACGS0093 Quercetin 3-(2''-acetylgalactoside);3-[(2-O-Acetyl-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C23H22O13 506.10604 439266-62-3 knapsack NA NA +FL5FACGS0096 Quercetin 7-(6''-acetylglucoside);7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-1-benzopyran-4-one C23H22O13 506.10604 72659-74-6 knapsack NA NA +FL5FAGGS0012 Myricetin 3-acetylrhamnoside;Myricetin 3-O-(4''-acetyl)-alpha-L-rhamnopyranoside C23H22O13 506.10604 165127-26-4 knapsack NA NA +FL5FAGGS0031 Myricetin 3-(2''-acetylrhamnoside);3-[(2-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C23H22O13 506.10604 244284-60-4 knapsack NA NA +MJ074994 Antibiotic WS 79089B C27H22O10 506.121296 NA MeJP NA NA +MJ074995 Balsaminone A; O-?-D-Glucopyranoside C27H22O10 506.121296 NA MeJP NA NA +FL1C3CGS0014 Okanin 4-methyl ether 3'-(6''-acetylglucoside) C24H26O12 506.14242 135618-13-2 knapsack NA NA +FL1C3CGS0016 Okanin 4-methyl ether 4'-(6''-acetylglucoside) C24H26O12 506.14242 142628-33-9 knapsack NA NA +FL2FADGS0003 Viscumneoside VI C24H26O12 506.14242 118985-26-5 knapsack NA NA +FL3FCKGS0001 Lethedoside C;Tricetin 7,3',4'-trimethyl eter 5-glucoside;5-(beta-D-Glucopyranosyloxy)-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C24H26O12 506.14242 221289-30-1 knapsack NA NA +FL3FECGS0033 6-Hydroxyluteolin 6,7,3'-trimethyl ether 4'-glucoside C24H26O12 506.14242 41087-97-2 knapsack NA NA +FL3FEGGS0004 6-Hydroxytricetin 6,4',5'-trimethyl eter 3'-rhamnoside;2-[3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-4,5-dimethoxyphenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one C24H26O12 506.14242 208662-61-7 knapsack NA NA +FL3FGAGS0002 Nevadensin 5-glucoside;5-(beta-D-Glucopyranosyloxy)-7-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C24H26O12 506.14242 178405-54-4 knapsack NA NA +FL3FGAGS0003 Nevadensin 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C24H26O12 506.14242 210837-37-9 knapsack NA NA +FL3FGAGS0006 5,8-Dihydroxy-6,7,4'-trimethoxyflavone 8-glucoside;8-(beta-D-Glucopyranosyloxy)-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C24H26O12 506.14242 343310-83-8 knapsack NA NA +FL5FALGS0001 Morin 3,7,4'-trimethyl ether 2'-glucoside C24H26O12 506.14242 71827-11-7 knapsack NA NA +FL5FEAGA0005 Mikanin 3-galactoside C24H26O12 506.14242 72945-44-9 knapsack NA NA +FL5FEAGL0008 Candidol 3-glucoside C24H26O12 506.14242 141304-80-5 knapsack NA NA +FL5FEAGS0016 Pendulin C24H26O12 506.14242 14801-84-4 knapsack NA NA +FL5FECGS0026 Jaceidin 7-rhamnoside C24H26O12 506.14242 63959-48-8 knapsack NA NA +FLIAECGS0006 Junipegenin B 7-O-glucoside C24H26O12 506.14242 86849-69-6 knapsack NA NA +MJ074996 1,2,3,6,8-Pentahydroxy-7-methylanthraquinone; 1,2,3-Tri-Me ether, 6-O-?-D-glucopyranoside C24H26O12 506.142426 NA MeJP NA NA +MJ074997 2',3,3',4,4'-Pentahydroxychalcone, 4'-Me ether, 4-O-(6-O-acetyl-?-D-glucopyranoside) C24H26O12 506.142426 NA MeJP NA NA +MJ074998 2',3,3',4,4'-Pentahydroxychalcone, 4-Me ether, 3'-O-(6-O-acetyl-?-D-glucopyranoside) C24H26O12 506.142426 NA MeJP NA NA +MJ074999 2',3,3',4,4'-Pentahydroxychalcone, 4-Me ether, 4'-O-(6-O-acetyl-?-D-glucopyranoside) C24H26O12 506.142426 NA MeJP NA NA +MJ075000 2',3,4',5,7-Pentahydroxyflavone; 3,4',7-Tri-Me ether, 2'-O-?-D-glucopyranoside C24H26O12 506.142426 NA MeJP NA NA +MJ075001 3',4',5,5',6,7-Hexahydroxyflavone; 3',4',6-Tri-Me ether, 5'-O-?-L-rhamnopyranoside C24H26O12 506.142426 NA MeJP NA NA +MJ075002 3',4',5,5',7-Pentahydroxyflavone; 3',4',7-Tri-Me ether, 5-O-?-D-glucopyranoside C24H26O12 506.142426 NA MeJP NA NA +MJ075003 3',4',5,5',7-Pentahydroxyisoflavone; 3',4',7-Tri-Me ether, 5'-O-?-D-glucopyranoside C24H26O12 506.142426 NA MeJP NA NA +MJ075004 3',4',5,6,7-Pentahydroxyflavone; 3',6,7-Tri-Me ether, 4'-O-?-D-glucopyranoside C24H26O12 506.142426 NA MeJP NA NA +MJ075005 3',4',5,6,7-Pentahydroxyisoflavone; 3',4',6-Tri-Me ether, 7-O-?-D-glucopyranoside C24H26O12 506.142426 NA MeJP NA NA +MJ075006 3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether, 7-O-(6-O-acetyl-?-D-glucopyranoside) C24H26O12 506.142426 NA MeJP NA NA +MJ075007 3,4',5,6,7-Pentahydroxyflavone; 3,6,7-Tri-Me ether, 4'-O-?-D-glucopyranoside C24H26O12 506.142426 NA MeJP NA NA +MJ075008 3,4',5,6,7-Pentahydroxyflavone; 4',6,7-Tri-Me ether, 3-O-?-D-galactopyranoside C24H26O12 506.142426 NA MeJP NA NA +MJ075009 3,4',5,6,7-Pentahydroxyflavone; 5,6,7-Tri-Me ether, 3-O-?-D-glucopyranoside C24H26O12 506.142426 NA MeJP NA NA +MJ075010 3-(2-Acetyl-3,5-dihydroxybenzyl)-3,4-dihydro-6,8-dihydroxyisocoumarin; 3'-O-?-D-Glucopyranoside C24H26O12 506.142426 NA MeJP NA NA +MJ075011 3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-(4-Hydroxy-E-cinnamoyl), 4'-O-?-D-glucopyranoside C24H26O12 506.142426 NA MeJP NA NA +MJ075012 4',5,6,7,8-Pentahydroxyflavone; 4',6,7-Tri-Me ether, 8-O-?-D-glucopyranoside C24H26O12 506.142426 NA MeJP NA NA +MJ075013 4',5,6,7,8-Pentahydroxyflavone; 4',6,8-Tri-Me ether, 5-O-?-D-glucopyranoside C24H26O12 506.142426 NA MeJP NA NA +MJ075014 4',5,6,7,8-Pentahydroxyflavone; 4',6,8-Tri-Me ether, 7-O-?-D-glucopyranoside C24H26O12 506.142426 NA MeJP NA NA +MJ075015 4',5,7-Trihydroxy-3,3',6-trimethoxyflavone; 7-O-?-L-Rhamnopyranoside C24H26O12 506.142426 NA MeJP NA NA +MJ075016 Protogenkwanin; 4'-O-(2-O-Acetyl-?-D-glucopyranoside) C24H26O12 506.142426 NA MeJP NA NA +MJ075017 Protogenkwanin; 4'-O-(6-O-Acetyl-?-D-glucopyranoside) C24H26O12 506.142426 NA MeJP NA NA +MJ075018 Streptonigrin C25H22N4O8 506.143763 NA MeJP NA NA +C02081 Streptonigrin C25H22N4O8 506.1438 NA KEGG NA NA +MJ075019 4-(Pentafluoroethyl)-2-propyl-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid C23H19F5N6O2 506.148964 NA MeJP NA NA +PJ003127 DDEE C18H26N4O13 506.1497 NA PeJP NA NA +MJ075020 2-Decarboxybetanidin; 5-O-?-D-Glucopyranoside C23H27N2O11(+) 506.153659 NA MeJP NA NA +MJ075021 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,5',9,9'-hexol, 9-Aldehyde, 3',5,5'-tri-Me ether, 9'-O-(4-hydroxybenzoyl) C28H26O9 506.157682 NA MeJP NA NA +MJ075022 ?-[2-(4-Methoxyphenyl)-2-oxo-1-[(3,4,5-trimethoxyphenyl)methyl]ethylidene]-1,3-benzodioxole-5-acetic acid C28H26O9 506.157682 NA MeJP NA NA +MJ075023 Pannellin C28H26O9 506.157682 NA MeJP NA NA +MJ075024 Rocaglatic acid; 4'-Demethoxy, 3',4'-methylenedioxy, Me ester C28H26O9 506.157682 NA MeJP NA NA +PJ003128 GSNDD C17H26N6O12 506.1609 NA PeJP NA NA +PJ003129 GPCCQ C18H30N6O7S2 506.1618 NA PeJP NA NA +MJ075025 2',4',6'-Trihydroxyacetophenone; 4'-Me ether, 2'-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C21H30O14 506.163555 NA MeJP NA NA +MJ075026 2',4',6'-Trihydroxyacetophenone; 4'-Me ether, 2'-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C21H30O14 506.163555 NA MeJP NA NA +MJ075027 2-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside, penta-Ac C21H30O14 506.163555 NA MeJP NA NA +MJ075028 2-O-?-D-Galactopyranosylglycerol; Hexa-Ac C21H30O14 506.163555 NA MeJP NA NA +MJ075029 3-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside, penta-Ac C21H30O14 506.163555 NA MeJP NA NA +MJ075030 5-O-?-L-Arabinofuranosyl-L-arabinose; ?-Furanose-form, Me glycoside, penta-Ac C21H30O14 506.163555 NA MeJP NA NA +MJ075031 Allobetonicoside C21H30O14 506.163555 NA MeJP NA NA +MJ075032 D-glycero-D-galacto-Heptitol; Hepta-Ac C21H30O14 506.163555 NA MeJP NA NA +MJ075033 Gardoside; 2'-O-Apiofuranoside C21H30O14 506.163555 NA MeJP NA NA +MJ075034 Gonocaryoside B C21H30O14 506.163555 NA MeJP NA NA +MJ075035 Lamalbide; 6,7-Di-Ac C21H30O14 506.163555 NA MeJP NA NA +MJ075036 Lamiide; 7,8-Di-Ac C21H30O14 506.163555 NA MeJP NA NA +MJ075037 Swertiamarin; 6'-O-?-D-Xylopyranosyl C21H30O14 506.163555 NA MeJP NA NA +FL1CALGS0001 4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside C25H30O11 506.17881 256413-65-7 knapsack NA NA +MJ075038 4,4',5,7-Tetrahydroxy-6-hydroxymethyl-8-methylflavan, 4-Ketone, 1'', 4-di-Me ether, 7-O-?-D-glucopyranoside C25H30O11 506.178811 NA MeJP NA NA +MJ075039 4,5-Epoxy-2,8,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 2,13,14-tri-Ac C25H30O11 506.178811 NA MeJP NA NA +MJ075040 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3'-Me ether, 5-O-?-D-glucopyranoside C25H30O11 506.178811 NA MeJP NA NA +MJ075041 8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(2-Methylpropenoyl), 15-O-?-D-glucopyranoside C25H30O11 506.178811 NA MeJP NA NA +MJ075042 Brachycalyxolide C25H30O11 506.178811 NA MeJP NA NA +MJ075043 Cachineside IV; 5-Deoxy, 7-O-cinnamoyl C25H30O11 506.178811 NA MeJP NA NA +MJ075044 Diosbulbinoside D C25H30O11 506.178811 NA MeJP NA NA +MJ075045 Mussaenosidic acid; 2'-Cinnamoyl C25H30O11 506.178811 NA MeJP NA NA +MJ075046 Mussaenosidic acid; 8-O-Cinnamoyl(E-) C25H30O11 506.178811 NA MeJP NA NA +MJ075047 Stansioside; 8-Epimer, 2'-(4-hydroxycinnamoyl) C25H30O11 506.178811 NA MeJP NA NA +MJ075048 Tecomoside; 7-Cinnamoyl (E)- C25H30O11 506.178811 NA MeJP NA NA +PJ003130 NNEM C18H30N6O9S 506.1795 NA PeJP NA NA +MJ075049 1,6-Di-O-?-D-glucopyranosyl-D-mannitol C18H34O16 506.184685 NA MeJP NA NA +PJ003131 TEEE C19H30N4O12 506.186 NA PeJP NA NA +PJ003132 PEMM C20H34N4O7S2 506.1869 NA PeJP NA NA +PJ003133 CNDR C17H30N8O8S 506.1908 NA PeJP NA NA +FL1DA9NC0002 Piperaduncin B C29H30O8 506.19406 155023-55-5 knapsack NA NA +MJ075050 Binankadsurin A; 7-O-Benzoyl C29H30O8 506.194067 NA MeJP NA NA +MJ075051 Enrasentan C29H30O8 506.194067 NA MeJP NA NA +MJ075052 Isogomisin O; 3-O-De-Me, 7-benzoyl C29H30O8 506.194067 NA MeJP NA NA +MJ075053 Piperaduncin B C29H30O8 506.194067 NA MeJP NA NA +MJ075054 Rocaglatic acid; 8b-Me ether, Me ester C29H30O8 506.194067 NA MeJP NA NA +C09829 Piperaduncin B C29H30O8 506.1941 NA KEGG NA NA +PJ003134 GNMW C22H30N6O6S 506.1948 NA PeJP NA NA +PJ003135 GSSQE C18H30N6O11 506.1973 NA PeJP NA NA +PJ003136 GPCCK C19H34N6O6S2 506.1982 NA PeJP NA NA +PJ003137 PDEF C23H30N4O9 506.2013 NA PeJP NA NA +PJ003138 VEEM C20H34N4O9S 506.2047 NA PeJP NA NA +MJ075055 Colabomycin D C28H30N2O7 506.205301 NA MeJP NA NA +MJ075056 Manumycin G C28H30N2O7 506.205301 NA MeJP NA NA +PJ003139 SSQW C22H30N6O8 506.2125 NA PeJP NA NA +MJ075057 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1-Benzoyl, 9,14-di-Ac C26H34O10 506.215197 NA MeJP NA NA +MJ075058 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 1,6,8-tri-Ac C26H34O10 506.215197 NA MeJP NA NA +MJ075059 1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 1,8,14-tri-Ac C26H34O10 506.215197 NA MeJP NA NA +MJ075060 15,16-Epoxy-12-hydroxy-7-oxo-3,13(16),14-clerodatrien-18,19-olide, 12-O-?-D-Glucopyranoside C26H34O10 506.215197 NA MeJP NA NA +MJ075061 15,16-Epoxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, ?-D-Glucopyranosyl ester C26H34O10 506.215197 NA MeJP NA NA +MJ075062 19-Acetoxycoleon Q; 12-De-Ac, 7-Ac, 3?-acetoxy C26H34O10 506.215197 NA MeJP NA NA +MJ075063 2,8,10,11-Tetrahydroxy-3-guaien-12,6-olide, 8-(3-Methyl-2-butenoyl), 2,10,11-tri-Ac C26H34O10 506.215197 NA MeJP NA NA +MJ075064 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 4'-O-?-L-rhamnopyranoside C26H34O10 506.215197 NA MeJP NA NA +MJ075065 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 9'-O-?-L-rhamnopyranoside C26H34O10 506.215197 NA MeJP NA NA +MJ075066 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3'-Me ether, 4'-O-(3-O-methyl-?-L-rhamnopyranoside) C26H34O10 506.215197 NA MeJP NA NA +MJ075067 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 9'-O-?-L-rhamnopyranoside C26H34O10 506.215197 NA MeJP NA NA +MJ075068 3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether, 9'-O-?-L-rhamnopyranoside C26H34O10 506.215197 NA MeJP NA NA +MJ075069 3,4:8,17-Diepoxy-2,9,14-trihydroxy-5-briaren-18,7-olide; Tri-Ac C26H34O10 506.215197 NA MeJP NA NA +MJ075070 4,18:10,12:15,16-Triepoxy-13(16),14-clerodadiene-3,6,12,19-tetrol, 3,6,19-Tri-Ac C26H34O10 506.215197 NA MeJP NA NA +MJ075071 5,8,9-Trihydroxy-1(10),4(15),11(13)-germacratrien-12,6-olid-14-oic acid, 8-O-(2-Hydroxymethyl-2E-butenoyl), 9-O-(2-methylbutanoyl), Me ester C26H34O10 506.215197 NA MeJP NA NA +MJ075072 5,8,9-Trihydroxy-1(10),4(15),11(13)-germacratrien-12,6-olid-14-oic acid, 9-(2-Hydroxymethyl-2E-butenoyl), 8-(2-methylbutanoyl), Me ester C26H34O10 506.215197 NA MeJP NA NA +MJ075073 5,8,9-Trihydroxy-1(10),4(15),11(13)-germacratrien-12,6-olid-14-oic acid, 9-(2R,3R-Epoxy-2-methylbutanoyl), 8-(2-methylbutanoyl), Me ester C26H34O10 506.215197 NA MeJP NA NA +MJ075074 7,20-Epoxy-1,6,7,11,19-pentahydroxy-16-kauren-15-one, 1,11,19-Tri-Ac C26H34O10 506.215197 NA MeJP NA NA +MJ075075 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(8-?-D-Glucopyranosyloxy-3,7-dimethyl-2,6-octadienyl) C26H34O10 506.215197 NA MeJP NA NA +MJ075076 8,17-Epoxy-2,3,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 2,3,14-Tri-Ac C26H34O10 506.215197 NA MeJP NA NA +MJ075077 8,17-Epoxy-2,9,11,14-tetrahydroxy-5,12-briaradien-18,7-olide; 2,9,14-Tri-Ac C26H34O10 506.215197 NA MeJP NA NA +MJ075078 8,17-Epoxy-2,9,14-trihydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2,9,14-tri-Ac C26H34O10 506.215197 NA MeJP NA NA +MJ075079 8,17:11,20-Diepoxy-2,9,14-trihydroxy-5-briaren-18,7-olide; Tri-Ac C26H34O10 506.215197 NA MeJP NA NA +MJ075080 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-O-(2,3-Epoxy-2-methylbutanoyl), 9-O-(3-hydroxy-2-methylbutanoyl), Me ester C26H34O10 506.215197 NA MeJP NA NA +MJ075081 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-O-(2-Hydroxy-2-methyl-3-oxobutanoyl), 9-O-(2-methylbutanoyl), Me ester (1) C26H34O10 506.215197 NA MeJP NA NA +MJ075082 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-O-(2-Hydroxy-2-methyl-3-oxobutanoyl), 9-O-(2-methylbutanoyl), Me ester (2) C26H34O10 506.215197 NA MeJP NA NA +MJ075083 Havannahine C26H34O10 506.215197 NA MeJP NA NA +MJ075084 Helmanticin C26H34O10 506.215197 NA MeJP NA NA +MJ075085 Isolimonic acid C26H34O10 506.215197 NA MeJP NA NA +MJ075086 Nutanocoumarin; 7-O-?-D-Glucopyranoside C26H34O10 506.215197 NA MeJP NA NA +MJ075087 Nutanocoumarin; 9'-O-?-D-Glucopyranoside C26H34O10 506.215197 NA MeJP NA NA +MJ075088 Shikokianoic acid; 6-Aldehyde, 11-Ac, 16?,17-epoxide C26H34O10 506.215197 NA MeJP NA NA +C01593 Limonoate C26H34O10 506.2152 NA KEGG NA NA +PJ003140 NDKM C19H34N6O8S 506.2159 NA PeJP NA NA +PJ003141 PPMY C24H34N4O6S 506.2199 NA PeJP NA NA +MJ075089 Asperphenamate C32H30N2O4 506.220557 NA MeJP NA NA +MJ075090 Asterriquinone C32H30N2O4 506.220557 NA MeJP NA NA +MJ075091 Aurantiamide; O-Benzoyl C32H30N2O4 506.220557 NA MeJP NA NA +MJ075092 Hinnuliquinone C32H30N2O4 506.220557 NA MeJP NA NA +MJ075093 Isoasterriquinone C32H30N2O4 506.220557 NA MeJP NA NA +MJ075094 Neocochliodinol C32H30N2O4 506.220557 NA MeJP NA NA +PJ003142 VDHH C21H30N8O7 506.2238 NA PeJP NA NA +MJ075095 Antimycin A; Antimycin A4 C25H34N2O9 506.22643 NA MeJP NA NA +PJ003143 SNMR C18H34N8O7S 506.2271 NA PeJP NA NA +MJ075096 Pyronaamidine; 9-(N-Methylimide) C26H30N6O5 506.227768 NA MeJP NA NA +PJ003144 GHFF C26H30N6O5 506.2278 NA PeJP NA NA +FL2FA9NC0013 Lumaflavanone C C30H34O7 506.23045 424838-73-3 knapsack NA NA +FL2FALNP0008 Flemichin E C30H34O7 506.23045 72782-82-2 knapsack NA NA +FL2FALNP0017 Exiguaflavanone H C30H34O7 506.23045 156281-18-4 knapsack NA NA +FL2FALNP0018 Exiguaflavanone I C30H34O7 506.23045 156281-19-5 knapsack NA NA +FL3FALNF0001 Artelastofuran;2-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-3,6-bis(3-methyl-2-butenyl)-4H-furo[2,3-h]-1-benzopyran-4-one C30H34O7 506.23045 206271-04-7 knapsack NA NA +FL3FALNI0017 Dorsilurin D;(+)-2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-3,6-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C30H34O7 506.23045 254101-16-1 knapsack NA NA +FL3FALNP0016 Dorsilurin B;(-)-2-(2,4-Dihydroxyphenyl)-9,10-dihydro-5,9-dihydroxy-8,8-dimethyl-3,6-bis(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one C30H34O7 506.23045 212071-81-3 knapsack NA NA +FL3FRNNR0005 Artelastocarpin;6,7-Dihydro-3,9,11-trihydroxy-6-(1-hydroxy-1-methylethyl)-10,12-bis(3-methyl-2-butenyl)-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one C30H34O7 506.23045 404956-32-7 knapsack NA NA +FL4DRNNI0001 Sorocein F C30H34O7 506.23045 163687-42-1 knapsack NA NA +FL4DRNNI0002 Sorocein G C30H34O7 506.23045 163633-92-9 knapsack NA NA +FL4DRNNI0003 Sanggenol I C30H34O7 506.23045 202526-54-3 knapsack NA NA +FL4DRNNI0004 Sanggenol G C30H34O7 506.23045 202526-52-1 knapsack NA NA +FL4DRNNI0005 Sanggenol H C30H34O7 506.23045 202526-53-2 knapsack NA NA +FL5FACNI0003 Broussoflavonol C C30H34O7 506.23045 104494-29-3 knapsack NA NA +FL5FACNI0004 Broussoflavonol G C30H34O7 506.23045 128341-11-7 knapsack NA NA +FL5FACNI0007 Petalostemumol G;2-[3,4-Dihydroxy-2,6-bis(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C30H34O7 506.23045 152253-69-5 knapsack NA NA +FL5FACNP0003 Broussoflavonol E;2-[3,4-Dihydro-8-hydroxy-2,2-dimethyl-5-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-8-(1,1-dimethyl-2-propenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one C30H34O7 506.23045 289621-75-6 knapsack NA NA +MJ075097 1?,10?-Dihydrolactucin 8-O-isohypoglabrate C30H34O7 506.230453 NA MeJP NA NA +MJ075098 2',4',5,7-Tetrahydroxy-3,6,8-triprenylflavone; ?3'''-Isomer, 2'''?-hydroxy C30H34O7 506.230453 NA MeJP NA NA +MJ075099 2,3-Dihydro-5,7-dihydroxy-8-[1-(2-hydroxy-4-methoxy-3,3,5-trimethyl-6-oxo-1,4-cyclohexadien-1-yl)-2-methylpropyl]-6-methyl-2-phenyl-4H-1-benzopyran-4-one C30H34O7 506.230453 NA MeJP NA NA +MJ075100 3,3',4',5,7-Pentahydroxy-2',6',8-triprenylflavone C30H34O7 506.230453 NA MeJP NA NA +MJ075101 3,3',4',5,7-Pentahydroxy-5',6',8-triprenylflavone C30H34O7 506.230453 NA MeJP NA NA +MJ075102 Artelastinin C30H34O7 506.230453 NA MeJP NA NA +MJ075103 Artelastofuran C30H34O7 506.230453 NA MeJP NA NA +MJ075104 Artonin H C30H34O7 506.230453 NA MeJP NA NA +MJ075105 Broussoflavonol C C30H34O7 506.230453 NA MeJP NA NA +MJ075106 Broussoflavonol D; 7',8'-Dihydro C30H34O7 506.230453 NA MeJP NA NA +MJ075107 Dorsilurin B C30H34O7 506.230453 NA MeJP NA NA +MJ075108 Exiguaflavanone H C30H34O7 506.230453 NA MeJP NA NA +MJ075109 Exiguaflavanone I C30H34O7 506.230453 NA MeJP NA NA +MJ075110 Flemichin C C30H34O7 506.230453 NA MeJP NA NA +MJ075111 Flemichin E C30H34O7 506.230453 NA MeJP NA NA +MJ075112 Hydroxybisdihydroencelin C30H34O7 506.230453 NA MeJP NA NA +MJ075113 Lactucin 8-O-hypoglabrate; 11?,13-Dihydro C30H34O7 506.230453 NA MeJP NA NA +MJ075114 Ornativolide C30H34O7 506.230453 NA MeJP NA NA +MJ075115 Sanggenol G C30H34O7 506.230453 NA MeJP NA NA +MJ075116 Sanggenol H C30H34O7 506.230453 NA MeJP NA NA +MJ075117 Sanggenol I C30H34O7 506.230453 NA MeJP NA NA +MJ075118 Sorocein F C30H34O7 506.230453 NA MeJP NA NA +MJ075119 Sorocein G C30H34O7 506.230453 NA MeJP NA NA +PJ003145 ACKW C23H34N6O5S 506.2312 NA PeJP NA NA +PJ003146 GSSKE C19H34N6O10 506.2337 NA PeJP NA NA +PJ003147 PVEY C24H34N4O8 506.2377 NA PeJP NA NA +MJ075120 6-Chloro-4,5,20-trihydroxy-1-oxowitha-2,24-dienolide C28H39ClO6 506.243516 NA MeJP NA NA +MJ075121 6-Chloro-4,5,27-trihydroxy-1-oxowitha-2,24-dienolide C28H39ClO6 506.243516 NA MeJP NA NA +MJ075122 Deacylcylindrol; 5-Chloro, 4'-(3-methylbutanoyl) C28H39ClO6 506.243516 NA MeJP NA NA +PJ003148 GSSTR C18H34N8O9 506.2449 NA PeJP NA NA +PJ003149 SSKW C23H34N6O7 506.2489 NA PeJP NA NA +MJ075123 18,19-Epoxy-2,6,18,19-tetrahydroxy-15-nor-3,12-clerodadien-14-al, 2-(Methylpropanoyl), 18,19-di-Ac C27H38O9 506.251582 NA MeJP NA NA +MJ075124 2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-1,6,19-triol, 14,15-Dihydro, 19-tigloyl, 6-Ac C27H38O9 506.251582 NA MeJP NA NA +MJ075125 2,19:4,18:11,16:15,16-Tetraepoxy-6,15,19-clerodanetriol, 19-Tigloyl, 6-Ac C27H38O9 506.251582 NA MeJP NA NA +MJ075126 2,8,10,11-Tetrahydroxy-3-guaien-12,6-olide, 2-O-(2-Methylbutanoyl), 8-O-angeloyl, 11-Ac C27H38O9 506.251582 NA MeJP NA NA +MJ075127 4,18-Epoxy-6,8,11,19-tetrahydroxy-13-cleroden-15,16-olide, 6-Tigloyl, 19-Ac C27H38O9 506.251582 NA MeJP NA NA +MJ075128 4,18:8,13-Diepoxy-6,11,19-trihydroxy-15,16-clerodanolide, 6-Tigloyl, 19-Ac C27H38O9 506.251582 NA MeJP NA NA +MJ075129 Ingol; O8-Me, 3,7,12-tri-Ac C27H38O9 506.251582 NA MeJP NA NA +HMDB10364 11-Hydroxyprogesterone 11-glucuronide C27H38O9 506.251587 NA HMDB2010 NA NA +PJ003150 TQKM C20H38N6O7S 506.2523 NA PeJP NA NA +PJ003151 PPFF C28H34N4O5 506.2529 NA PeJP NA NA +PJ003152 PLMF C25H38N4O5S 506.2563 NA PeJP NA NA +PJ003153 LLMM C22H42N4O5S2 506.2597 NA PeJP NA NA +PJ003154 GQFR C22H34N8O6 506.2602 NA PeJP NA NA +PJ003155 TCKR C19H38N8O6S 506.2635 NA PeJP NA NA +FL2FADNI0002 Amoritin C31H38O6 506.26683 83474-68-4 knapsack NA NA +FL2FAENI0003 Isoamoritin;5,7,3'-Trihydroxy-4'-methoxy-6,8,5'-triprenylflavanone C31H38O6 506.26683 212069-24-4 knapsack NA NA +MJ075130 3',4',5,7-Tetrahydroxy-5',6,8-triprenylflavanone, 3'-Me ether C31H38O6 506.266838 NA MeJP NA NA +MJ075131 3',4',5,7-Tetrahydroxy-5',6,8-triprenylflavanone, 4'-Me ether C31H38O6 506.266838 NA MeJP NA NA +MJ075132 1,1-Bis(8,9-epoxy-6,8-dimethylergoline) C32H34N4O2 506.268176 NA MeJP NA NA +PJ003156 GTTTK C20H38N6O9 506.27 NA PeJP NA NA +MJ075133 7-Megastigmene-3,9-diol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C24H42O11 506.272712 NA MeJP NA NA +MJ075134 7-Megastigmene-3,9-diol, 9-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C24H42O11 506.272712 NA MeJP NA NA +PJ003157 VLEF C25H38N4O7 506.2741 NA PeJP NA NA +MJ075135 Marine Streptomyces C30H38N2O5 lactam C30H38N2O5 506.278072 NA MeJP NA NA +PJ003158 VNKF C24H38N6O6 506.2853 NA PeJP NA NA +MJ075136 18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 18-Et ether, 7-butanoyl, 19-Ac C28H42O8 506.287968 NA MeJP NA NA +MJ075137 2,6,10,14-Phytatetraene-1,8,12,18-tetrol, Tetra-Ac C28H42O8 506.287968 NA MeJP NA NA +MJ075138 2,7-Dolabelladiene-5,6,10,18-tetrol, Tetra-Ac C28H42O8 506.287968 NA MeJP NA NA +MJ075139 2,9:3,16-Diepoxy-7(19)-asbestinene-4,6,11-triol, 11-Butanoyl, 4,6-di-Ac C28H42O8 506.287968 NA MeJP NA NA +MJ075140 3,11,12,14-Tetrahydroxypregn-5-en-20-one, 12-(2-Hydroxy-3-methylbutanoyl), 11-Ac C28H42O8 506.287968 NA MeJP NA NA +MJ075141 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 12-(3-Methylbutanoyl), 11-Ac C28H42O8 506.287968 NA MeJP NA NA +MJ075142 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 5?,6?-Epoxide, 12-(3,4-dimethyl-2E-pentenoyl) C28H42O8 506.287968 NA MeJP NA NA +MJ075143 3,8,14-Trihydroxypregn-5-en-18,20-olide, 3-O-Diginopyranoside C28H42O8 506.287968 NA MeJP NA NA +MJ075144 4,5,6,19,27-Pentahydroxy-1-oxowith-24-enolide C28H42O8 506.287968 NA MeJP NA NA +MJ075145 5,6,14,20,27-Pentahydroxy-1-oxowith-24-enolide C28H42O8 506.287968 NA MeJP NA NA +MJ075146 Baconipyrone B C28H42O8 506.287968 NA MeJP NA NA +MJ075147 Baconipyrone D C28H42O8 506.287968 NA MeJP NA NA +MJ075148 Cyasterone; 29-Demethyl C28H42O8 506.287968 NA MeJP NA NA +MJ075149 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Tigloyl, 20-Ac C28H42O8 506.287968 NA MeJP NA NA +MJ075150 Pregn-5-ene-3,8,12,14,17,20-hexol, 20-Tigloyl, 12-Ac C28H42O8 506.287968 NA MeJP NA NA +MJ075151 Siphonarin A C28H42O8 506.287968 NA MeJP NA NA +MJ075152 Soraphen A; 10-O-De-Me C28H42O8 506.287968 NA MeJP NA NA +MJ075153 Soraphen A; 11-O-De-Me C28H42O8 506.287968 NA MeJP NA NA +PJ003159 TKKM C21H42N6O6S 506.2887 NA PeJP NA NA +C10009 Mucronine A C29H38N4O4 506.2893 NA KEGG NA NA +MJ075154 Aphelandrine, 17,18-Diepimer, Me ether C29H38N4O4 506.289305 NA MeJP NA NA +MJ075155 Chaenorpine; Me ether C29H38N4O4 506.289305 NA MeJP NA NA +MJ075156 Mucronine A C29H38N4O4 506.289305 NA MeJP NA NA +PJ003160 GKFR C23H38N8O5 506.2965 NA PeJP NA NA +MJ075157 3,12-Dioxo-13,15,17(20),22,24-isomalabaricapentaen-26,22-olide, 3?-Alcohol, 3-Ac C32H42O5 506.303224 NA MeJP NA NA +MJ075158 Petrosynol; 3-Ac C32H42O5 506.303224 NA MeJP NA NA +MJ075159 Rakicidin C C26H42N4O6 506.310435 NA MeJP NA NA +PJ003161 VLLY C26H42N4O6 506.3105 NA PeJP NA NA +MJ075160 6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-(14-Methylpentadecanoyl) C31H42N2O4 506.314457 NA MeJP NA NA +MJ075161 6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-Hexadecanoyl C31H42N2O4 506.314457 NA MeJP NA NA +MJ075162 Antibiotic WA 3854; Antibiotic WA 3854C C25H42N6O5 506.321668 NA MeJP NA NA +MJ075163 2,3,14,20,22,29-Hexahydroxystigmasta-7,24(28)-dien-6-one C29H46O7 506.324353 NA MeJP NA NA +MJ075164 2,3,16,17-Phyllocladanetetrol, 2-(3-Methylbutanoyl), 3,17-di-Ac C29H46O7 506.324353 NA MeJP NA NA +MJ075165 8,13-Labdadiene-2,6,7,15-tetrol, 6-O-(3-Methylbutanoyl), 2,7-di-Ac C29H46O7 506.324353 NA MeJP NA NA +MJ075166 Ajugasterone B C29H46O7 506.324353 NA MeJP NA NA +MJ075167 Esterastin C28H46N2O6 506.335587 NA MeJP NA NA +MJ075168 3,20-Diaminopregn-2-en-4-ol, N20,N20-Di-Me, N3-benzoyl, 4-Ac C32H46N2O3 506.350843 NA MeJP NA NA +MJ075169 Culantraramine, N-Oxide C32H46N2O3 506.350843 NA MeJP NA NA +MJ075170 1,3,24,25-Tetrahydroxycycloartan-28-oic acid C30H50O6 506.360739 NA MeJP NA NA +MJ075171 11,23,24,25-Tetrahydroxyprotost-13(17)-en-3-one, 13?,17?-Epoxide C30H50O6 506.360739 NA MeJP NA NA +MJ075172 12-Oleanene-2,3,16,21,22,28-hexol C30H50O6 506.360739 NA MeJP NA NA +MJ075173 12-Oleanene-3,15,16,21,22,28-hexol C30H50O6 506.360739 NA MeJP NA NA +MJ075174 12-Oleanene-3,16,21,22,23,28-hexol C30H50O6 506.360739 NA MeJP NA NA +MJ075175 12-Oleanene-3,16,21,22,24,28-hexol C30H50O6 506.360739 NA MeJP NA NA +MJ075176 12-Oleanene-3,16,21,22,28,29-hexol C30H50O6 506.360739 NA MeJP NA NA +MJ075177 12-Oleanene-3,6,7,16,23,28-hexol C30H50O6 506.360739 NA MeJP NA NA +MJ075178 12-Oleanene-3,7,15,16,27,28-hexol C30H50O6 506.360739 NA MeJP NA NA +MJ075179 13,28-Epoxy-3,16,22,23,28-oleananepentol C30H50O6 506.360739 NA MeJP NA NA +MJ075180 2,3,16,20,25-Pentahydroxycucurbita-5,23-dien-22-one, 23,24-Dihydro C30H50O6 506.360739 NA MeJP NA NA +MJ075181 20,24-Epoxycycloartane-3,12,15,16,25-pentol C30H50O6 506.360739 NA MeJP NA NA +MJ075182 20,24-Epoxycycloartane-3,15,16,18,25-pentol C30H50O6 506.360739 NA MeJP NA NA +MJ075183 22,24,25,28-Tetrahydroxy-24-(hydroxymethyl)-29-norcycloartan-3-one C30H50O6 506.360739 NA MeJP NA NA +MJ075184 3,19-Epoxydammar-20(22)-ene-3,11,23,24,25-pentol C30H50O6 506.360739 NA MeJP NA NA +MJ075185 3,4,5,25-Tetrahydroxyergostan-6-one, 25-Ac C30H50O6 506.360739 NA MeJP NA NA +MJ075186 6,11,16,24,25-Pentahydroxycycloartan-3-one C30H50O6 506.360739 NA MeJP NA NA +MJ075187 Crustulinol C30H50O6 506.360739 NA MeJP NA NA +MJ075188 Ergost-24(28)-ene-1,3,5,6,11-pentol, 11-Ac C30H50O6 506.360739 NA MeJP NA NA +MJ075189 Muzitone C30H50O6 506.360739 NA MeJP NA NA +MJ075190 Neviotine A C30H50O6 506.360739 NA MeJP NA NA +MJ075191 Sodwanone F C30H50O6 506.360739 NA MeJP NA NA +MJ075192 Sodwanone L C30H50O6 506.360739 NA MeJP NA NA +MJ075193 Toosendanpentol C30H50O6 506.360739 NA MeJP NA NA +MJ075194 18,30-Tetratriacontadiene-2,4,12,33-tetrayne-1,6,32-triol C34H50O3 506.375995 NA MeJP NA NA +MJ075195 Cycloprotobuxoline I; N3-Benzoyl, N3,N20-di-Me C33H50N2O2 506.387228 NA MeJP NA NA +MJ075196 20,24-Epoxy-4,25-dihydroxy-3,4-secodammaran-3-oic acid, Me ester C31H54O5 506.397124 NA MeJP NA NA +MJ075197 1,9-Heptadecadiene-4,6-diyn-3-ol, (Z,Z)-(9,12-Octadecadienoyl) C35H54O2 506.41238 NA MeJP NA NA +MJ075198 Hopromine C30H58N4O2 506.455977 NA MeJP NA NA +MJ075199 Cyclostellettamine; Cyclostellettamine B C35H58N2 506.459999 NA MeJP NA NA +MJ075200 30-Methyl-28-oxo-29-dotriacontenoic acid C33H62O3 506.469895 NA MeJP NA NA +MJ075201 5-Hydroxy-12,14-tritriacontanedione, 5-Ketone C33H62O3 506.469895 NA MeJP NA NA +MJ075202 11-Oxotetratriacontanal C34H66O2 506.506281 NA MeJP NA NA +MJ075203 13-Oxotetratriacontanal C34H66O2 506.506281 NA MeJP NA NA +MJ075204 15-Oxotetratriacontanal C34H66O2 506.506281 NA MeJP NA NA +MJ075205 17-Oxotetratriacontanal C34H66O2 506.506281 NA MeJP NA NA +MJ075206 3-(13,17,21-Dotriacontatrienyl)-5-methyl-2(5H)-furanone, 23,24-Dihydro C34H66O2 506.506281 NA MeJP NA NA +MJ075207 7-Oxotetratriacontanal C34H66O2 506.506281 NA MeJP NA NA +MJ075208 9-Oxotetratriacontanal C34H66O2 506.506281 NA MeJP NA NA +MJ075209 1-Pentatriaconten-17-ol C35H70O 506.542666 NA MeJP NA NA +MJ075210 3-Pentatriacontanone C35H70O 506.542666 NA MeJP NA NA +MJ075211 4-Pentatriacontanone C35H70O 506.542666 NA MeJP NA NA +MJ075212 5-Pentatriacontanone C35H70O 506.542666 NA MeJP NA NA +MJ075213 6-Pentatriacontanone C35H70O 506.542666 NA MeJP NA NA +C00053 3'-Phosphoadenylyl sulfate C10H15N5O13P2S 506.9862 NA KEGG NA NA +C03568 2'-Phosphoadenylylsulfate C10H15N5O13P2S 506.9862 NA KEGG NA NA +MJ075214 3'-Phosphoadenylylsulfate C10H15N5O13P2S 506.986229 NA MeJP NA NA +MetaCyc03746 3'-phosphoadenylyl-sulfate [PAPS;phosphoadenosine phosphosulfate;3'-phosphoadenosine-5'-phosphosulfate;5-phosphoadenosine 3-phosphosulfate;] C10H15N5O13P2S1 506.986229 482-67-7 metacyc NA NA +HMDB01134 Phosphoadenosine phosphosulfate C10H15N5O13P2S 506.986237 NA HMDB2010 NA NA +HMDB01134 Phosphoadenosine phosphosulfate C10H15N5O13P2S 506.98624 http://www.hmdb.ca/metabolites/HMDB01134 HMDB NA NA +HMDB01134 Phosphoadenosine phosphosulfate C10H15N5O13P2S 506.98624 HMDB01134 PFEM_hmdb_metabocards_official NA NA +C00002 ATP C10H16N5O13P3 506.9957 NA KEGG NA NA +C00286 dGTP C10H16N5O13P3 506.9957 NA KEGG NA NA +C00287 Ester CO2R2 506.9957 NA KEGG NA NA +MJ075215 Adenosine triphosphate C10H16N5O13P3 506.995745 NA MeJP NA NA +MJ075216 ATP C10H16N5O13P3 506.995745 NA MeJP NA NA +MJ075217 dGTP C10H16N5O13P3 506.995745 NA MeJP NA NA +MetaCyc03747 ATP [adenylpyrophosphate;adenosine-triphosphate;adenosine-5'-triphosphate;] C10H16N5O13P3 506.995745 56-65-5 metacyc NA NA +MetaCyc03748 dGTP [2'-deoxyguanosine-5'-triphosphate;deoxy-GTP;deoxyguanosine-triphosphate;] C10H16N5O13P3 506.995745 2564-35-4 metacyc NA NA +MetaCyc03749 2-hydroxydeoxyadenosine 5'-triphosphate [] C10H16N5O13P3 506.995745 NA metacyc NA NA +HMDB00538 Adenosine triphosphate C10H16N5O13P3 506.995758 NA HMDB2010 NA NA +HMDB01440 dGTP C10H16N5O13P3 506.995758 NA HMDB2010 NA NA +HMDB00538 Adenosine triphosphate C10H16N5O13P3 506.99576 http://www.hmdb.ca/metabolites/HMDB00538 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01440 dGTP C10H16N5O13P3 506.99576 http://www.hmdb.ca/metabolites/HMDB01440 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00538 Adenosine triphosphate C10H16N5O13P3 506.99576 http://www.hmdb.ca/metabolites/HMDB00538 HMDB NA NA +HMDB01440 dGTP C10H16N5O13P3 506.99576 http://www.hmdb.ca/metabolites/HMDB01440 HMDB NA NA +HMDB00538 Adenosine triphosphate C10H16N5O13P3 506.99576 http://www.hmdb.ca/metabolites/HMDB00538 PFEM_hmdb_metabocards_blood NA blood +HMDB01440 dGTP C10H16N5O13P3 506.99576 http://www.hmdb.ca/metabolites/HMDB01440 PFEM_hmdb_metabocards_blood NA blood +HMDB00538 Adenosine triphosphate C10H16N5O13P3 506.99576 HMDB00538 PFEM_hmdb_metabocards_official NA NA +HMDB01440 dGTP C10H16N5O13P3 506.99576 HMDB01440 PFEM_hmdb_metabocards_official NA NA +EUR311 Nicotinamide adenine di nucleotide phosphate F4 F4 506.996275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR311 Nicotinamide adenine di nucleotide phosphate F4 NA 506.996275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR311 Nicotinamide adenine di nucleotide phosphate F4 F4 506.996275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR311 Nicotinamide adenine di nucleotide phosphate F4 NA 506.996275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR311 Nicotinamide adenine di nucleotide phosphate F4 F4 506.996275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR311 Nicotinamide adenine di nucleotide phosphate F4 NA 506.996275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR311 Nicotinamide adenine di nucleotide phosphate F4 F4 506.996275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR311 Nicotinamide adénine di nucléotide phosphate F4 F4 506.996275 standards wishlist analysés sur QTOF HMDB NA NA +EUR311 Nicotinamide adenine di nucleotide phosphate F4 F4 506.996275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR311 Nicotinamide adenine di nucleotide phosphate F4 NA 506.996275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR311 Nicotinamide adenine di nucleotide phosphate F4 F4 506.996275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR311 Nicotinamide adenine di nucleotide phosphate F4 F4 506.996275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ075218 Aplysinamisine II C16H23Br2N5O4 507.011679 NA MeJP NA NA +MJ075219 Tubulozole C23H23Cl2N3O4S 507.078632 NA MeJP NA NA +MJ075220 8-(Methylthio)-3-oxooctyl glucosinolate; S-Oxide C16H29NO11S3 507.090272 NA MeJP NA NA +FL7AAGGA0017 Delphinidin 3-(6-O-acetylgalactoside) C23H23O13 507.11386 197250-29-6 knapsack NA NA +FL7AAGGL0015 Delphinidin 3-(6''-acetylglucoside) C23H23O13 507.11386 129031-46-5<BR>122711-00-6<BR>66594-00-1 knapsack NA NA +MJ075221 9-(Methylthio)nonyl glucosinolate; S-Oxide C17H33NO10S3 507.126658 NA MeJP NA NA +C17272 Glucoarabin C17H33NO10S3 507.1267 NA KEGG NA NA +MJ075222 Polyoxin B C17H25N5O13 507.144885 NA MeJP NA NA +C06692 Polyoxin B C17H25N5O13 507.1449 NA KEGG NA NA +PJ003162 GSDDD C17H25N5O13 507.1449 NA PeJP NA NA +PJ003163 GPCCE C18H29N5O8S2 507.1458 NA PeJP NA NA +MJ075223 Antibiotic FR 901537 C23H29N3O6S2 507.149777 NA MeJP NA NA +FL7ACIGL0003 Hirsutidin 3-glucoside C24H27O12 507.15025 89418-84-8 knapsack NA NA +MJ075224 Aureonuclemycin; O4-Tigloyl C21H25N5O10 507.160142 NA MeJP NA NA +PJ003164 PCCW C22H29N5O5S2 507.161 NA PeJP NA NA +PJ003165 NDEM C18H29N5O10S 507.1635 NA PeJP NA NA +PJ003166 CDDR C17H29N7O9S 507.1748 NA PeJP NA NA +MJ075225 Naamidine F C25H25N5O7 507.175398 NA MeJP NA NA +PJ003167 GDMW C22H29N5O7S 507.1788 NA PeJP NA NA +PJ003168 GSSEE C18H29N5O12 507.1813 NA PeJP NA NA +PJ003169 GPTCM C19H33N5O7S2 507.1822 NA PeJP NA NA +7945 Antioxidative peptide YYY 507.189 antioxidative Inhouse_peptide NA peptide +MJ075226 Brasiliquinone B; 8-O-(3-Acetamido-2,3,6-trideoxy-?-L-ribo-hexopyranoside) C28H29NO8 507.189316 NA MeJP NA NA +MJ075227 Ravidomycin; N-De-Me, O-de-Ac C28H29NO8 507.189316 NA MeJP NA NA +MJ075228 Rocaglatic acid; 3'-Hydroxy, methylamide C28H29NO8 507.189316 NA MeJP NA NA +PJ003170 SSSNN C17H29N7O11 507.1925 NA PeJP NA NA +PJ003171 SSEW C22H29N5O9 507.1965 NA PeJP NA NA +PJ003172 GGPDY C22H29N5O9 507.1966 NA PeJP NA NA +PJ003173 TQEM C19H33N5O9S 507.1999 NA PeJP NA NA +PJ003174 YYY C27H29N3O7 507.2006 NA PeJP NA NA +MJ075229 2-(Diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-5-(phenylmethoxy)-3-isoquinolinecarboxylic acid C32H29NO5 507.204573 NA MeJP NA NA +PJ003175 NNNF C21H29N7O8 507.2078 NA PeJP NA NA +PJ003176 SDMR C18H33N7O8S 507.2112 NA PeJP NA NA +PJ003177 ATMW C23H33N5O6S 507.2152 NA PeJP NA NA +C07956 Fluphenazine depot C26H32F3N3O2S 507.2167 NA KEGG NA NA +C07957 Transferred to D00794 C26H32F3N3O2S 507.2167 NA KEGG NA NA +C07958 Transferred to D00795 C26H32F3N3O2S 507.2167 NA KEGG NA NA +C07959 Transferred to D00796 C26H32F3N3O2S 507.2167 NA KEGG NA NA +C07960 Transferred to D00797 C26H32F3N3O2S 507.2167 NA KEGG NA NA +C07961 Transferred to D00798 C26H32F3N3O2S 507.2167 NA KEGG NA NA +C07962 Transferred to D00799 C26H32F3N3O2S 507.2167 NA KEGG NA NA +C07963 Transferred to D00800 C26H32F3N3O2S 507.2167 NA KEGG NA NA +MJ075230 Oxaflumazine C26H32F3N3O2S 507.216732 NA MeJP NA NA +PJ003178 GTTTE C19H33N5O11 507.2177 NA PeJP NA NA +PJ003179 VQMM C20H37N5O6S2 507.2185 NA PeJP NA NA +PJ003180 GGLMM C20H37N5O6S2 507.2186 NA PeJP NA NA +PJ003181 SQHH C20H29N9O7 507.219 NA PeJP NA NA +MJ075231 Faurine C29H33NO7 507.225702 NA MeJP NA NA +PJ003182 AMMR C19H37N7O5S2 507.2298 NA PeJP NA NA +PJ003183 TTTW C23H33N5O8 507.2329 NA PeJP NA NA +PJ003184 TKEM C20H37N5O8S 507.2363 NA PeJP NA NA +MJ075232 Cadabicine; 4-Methoxy, N14-Ac C28H33N3O6 507.236935 NA MeJP NA NA +MJ075233 Capparisine; N15-Ac C28H33N3O6 507.236935 NA MeJP NA NA +MJ075234 Paraherquamide A; 16-Oxo C28H33N3O6 507.236935 NA MeJP NA NA +PJ003185 GEFR C22H33N7O7 507.2442 NA PeJP NA NA +MJ075235 Icospiramide C28H31F2N5O2 507.244581 NA MeJP NA NA +MJ075236 Lupinine, O-[?-D-Glucopyranosyl-(1?4)-4-hydroxy-3-methoxy-E-cinnamoyl] C26H37NO9 507.246831 NA MeJP NA NA +MJ075237 Ryanodine; 10-Epimer, 8?-hydroxy, 4-deoxy, 10-Me ether C26H37NO9 507.246831 NA MeJP NA NA +PJ003186 TTMR C19H37N7O7S 507.2475 NA PeJP NA NA +PJ003187 GVFW C27H33N5O5 507.2482 NA PeJP NA NA +3578 NA IQSQPQAFP 507.2495 MH2+ Inhouse_peptide NA peptide +PJ003188 SSTTL C20H37N5O10 507.2541 NA PeJP NA NA +PJ003189 VKMM C21H41N5O5S2 507.2549 NA PeJP NA NA +PJ003190 SKHH C21H33N9O6 507.2554 NA PeJP NA NA +PJ003191 FRW C26H33N7O4 507.2594 NA PeJP NA NA +2886 NA EIEQKQLQ 507.26 MH2+ Inhouse_peptide NA peptide +MJ075238 Cytochalasin C C30H37NO6 507.262087 NA MeJP NA NA +MJ075239 Cytochalasin M C30H37NO6 507.262087 NA MeJP NA NA +MJ075240 Cytochalasin Q C30H37NO6 507.262087 NA MeJP NA NA +MJ075241 Himandrine C30H37NO6 507.262087 NA MeJP NA NA +MJ075242 Yesonine; O15-(3,4-Dimethoxybenzoyl) C30H37NO6 507.262087 NA MeJP NA NA +MJ075243 Zygosporin D; 21-Ac C30H37NO6 507.262087 NA MeJP NA NA +MJ075244 Epothilone B C27H41NO6S 507.265458 NA MeJP NA NA +C12154 Epothilone B C27H41NO6S 507.2655 NA KEGG NA NA +3343 ACE inhibitor ALPHA 507.268 celiac toxic Inhouse_peptide NA peptide +PJ003192 PTKY C24H37N5O7 507.2693 NA PeJP NA NA +MJ075245 Fosinoprilat C27H42NO6P 507.274974 NA MeJP NA NA +MJ075246 ACE inhibitor peptide C 107 C23H37N7O6 507.280531 NA MeJP NA NA +PJ003193 GLRY C23H37N7O6 507.2806 NA PeJP NA NA +C08679 Deltaline C27H41NO8 507.2832 NA KEGG NA NA +MJ075247 Antibiotic FR 901465; 2-Deoxy C27H41NO8 507.283217 NA MeJP NA NA +MJ075248 Delcorine; N-De-Et, N-Me, 6-Ac C27H41NO8 507.283217 NA MeJP NA NA +MJ075249 Dictyocarpinine; 14-Me ether, 6-Ac C27H41NO8 507.283217 NA MeJP NA NA +MJ075250 Dorrigocin A C27H41NO8 507.283217 NA MeJP NA NA +MJ075251 Dorrigocin B C27H41NO8 507.283217 NA MeJP NA NA +MJ075252 Neoline; O16-De-Me, 8,14-di-Ac C27H41NO8 507.283217 NA MeJP NA NA +MJ075253 Neoline; O18-De-Me, 8,14-di-Ac C27H41NO8 507.283217 NA MeJP NA NA +MJ075254 Pictumine C27H41NO8 507.283217 NA MeJP NA NA +MJ075255 Senbusine A; 8,14-Di-Ac C27H41NO8 507.283217 NA MeJP NA NA +EUR457 Dehydrotestosterone glucuronide F2 F2 507.283875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR457 Dehydrotestosterone glucuronide F2 NA 507.283875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR457 Dehydrotestosterone glucuronide F2 F2 507.283875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR457 Dehydrotestosterone glucuronide F2 NA 507.283875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR457 Dehydrotestosterone glucuronide F2 F2 507.283875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR457 Dehydrotestosterone glucuronide F2 NA 507.283875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR457 Dehydrotestosterone glucuronide F2 F2 507.283875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR457 Déhydrotestostérone glucuronide F2 F2 507.283875 standards wishlist analysés sur QTOF HMDB NA NA +EUR457 Dehydrotestosterone glucuronide F2 F2 507.283875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR457 Dehydrotestosterone glucuronide F2 NA 507.283875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR457 Dehydrotestosterone glucuronide F2 F2 507.283875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR457 Dehydrotestosterone glucuronide F2 F2 507.283875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ003194 PVHR C22H37N9O5 507.2918 NA PeJP NA NA +MJ075256 Broussonetinine A; 10'-Deoxo, 9'-oxo, 3-O-?-D-glucopyranoside C24H45NO10 507.304346 NA MeJP NA NA +MJ075257 Broussonetinine A; 3-O-?-D-Glucopyranoside C24H45NO10 507.304346 NA MeJP NA NA +PJ003195 VVKY C25H41N5O6 507.3057 NA PeJP NA NA +MJ075258 1,1a,2,4,4a,5,5a,6,6a,7,8,8a-Dodecahydro-2aH-3-thia-4-azacyclopenta[mno]pentaleno[2,1,6,5-fghi]aceanthrylene-2a-carboxylic acid; 3,5,8-Trimethyldecyl ester C32H45NO2S 507.3171 NA MeJP NA NA +MJ075259 Dihydrogadesine; O1-Me, O14-(2-methylpropanoyl) C28H45NO7 507.319602 NA MeJP NA NA +HMDB11482 LysoPE(0:0/20:1(11Z)) C25H50NO7P 507.332489 NA HMDB2010 NA NA +HMDB11512 LysoPE(20:1(11Z)/0:0) C25H50NO7P 507.332489 NA HMDB2010 NA NA +EUR666 Lyso PC 18:1 [M-H-CH3]- C26H52NO7P 507.332492 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR709 LysoPE (20:1) monoisotopic mass C25H50NO7P 507.332492 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR864 Lyso PE 20:1 monoisotopic mass C25H50NO7P 507.332492 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR666 Lyso PC 18:1 [M-H-CH3]- C26H52NO7P 507.332492 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR709 LysoPE (20:1) monoisotopic mass C25H50NO7P 507.332492 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR864 Lyso PE 20:1 monoisotopic mass C25H50NO7P 507.332492 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR666 Lyso PC 18:1 [M-H-CH3]- C26H52NO7P 507.332492 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR709 LysoPE (20:1) monoisotopic mass C25H50NO7P 507.332492 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR864 Lyso PE 20:1 monoisotopic mass C25H50NO7P 507.332492 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR666 Lyso PC 18:1 [M-H-CH3]- C26H52NO7P 507.332492 masses lipides attendues Inhousejuil11 NA NA +EUR709 LysoPE (20:1) monoisotopic mass C25H50NO7P 507.332492 masses lipides attendues Inhousejuil11 NA NA +EUR864 Lyso PE 20:1 monoisotopic mass C25H50NO7P 507.332492 masses lipides attendues Inhousejuil11 NA NA +EUR528 18 :1 Lyso PC F3 F3 507.332925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR528 18 :1 Lyso PC F3 NA 507.332925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR528 18 :1 Lyso PC F3 F3 507.332925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR528 18 :1 Lyso PC F3 NA 507.332925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR528 18 :1 Lyso PC F3 F3 507.332925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR528 18 :1 Lyso PC F3 NA 507.332925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR528 18 :1 Lyso PC F3 F3 507.332925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR528 18 :1 Lyso PC F3 F3 507.332925 standards wishlist analysés sur QTOF HMDB NA NA +EUR528 18 :1 Lyso PC F3 F3 507.332925 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR528 18 :1 Lyso PC F3 NA 507.332925 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR528 18 :1 Lyso PC F3 F3 507.332925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR528 18 :1 Lyso PC F3 F3 507.332925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ075260 Indanomycin; Homologue (R = CH2CH3) C32H45NO4 507.334858 NA MeJP NA NA +MJ075261 Phenalamide A1; 10?,11?-Epoxide (6E-) C32H45NO4 507.334858 NA MeJP NA NA +MJ075262 20-Aminopregn-5-en-3-ol, N-Di-Me, O-?-D-glucopyranoside C29H49NO6 507.355988 NA MeJP NA NA +MJ075263 Amphiasterin C2 C29H49NO6 507.355988 NA MeJP NA NA +MJ075264 Cassaidine; 3-O-(3-Hydroxy-3-methylbutanoyl) C29H49NO6 507.355988 NA MeJP NA NA +MJ075265 Sphingomyelin C25H52N2O6P 507.356298 NA MeJP NA NA +HMDB13122 LysoPC(P-18:0) C26H54NO6P 507.368866 NA HMDB2010 NA NA +MJ075266 1-(11-Octadecenyl)glycero-3-phosphocholine C26H54NO6P 507.368874 NA MeJP NA NA +8327 Antiinflammatory peptide KGHYAERVG 507.7525 MH2+ Inhouse_peptide NA peptide +7736 Led-NPF-I APSLRLRFG 507.79 MH2+ Inhouse_peptide NA peptide +MJ075267 Bis(thiosulfato)aurate(I)(3-); Tri-Na salt, monohydrate AuH2Na3O7S4 507.804195 NA MeJP NA NA +MJ075268 Amathamide E; N-Me C16H19Br3N2O2 507.899665 NA MeJP NA NA +MJ075269 Dichlorobis(dimethylsulfoxide-S)(1,10-phenanthroline-N1,N10)ruthenium(II) C16H20Cl2N2O2RuS2 507.938674 NA MeJP NA NA +MJ075270 Soluarsphenamine C18H18As2N2O6 507.959679 NA MeJP NA NA +MJ075271 ITP C10H15N4O14P3 507.97976 NA MeJP NA NA +MetaCyc03750 ITP [inosine triphosphate;] C10H15N4O14P3 507.979761 132-06-9 metacyc NA NA +HMDB00189 Inosine triphosphate C10H15N4O14P3 507.979767 NA HMDB2010 NA NA +HMDB00189 Inosine triphosphate C10H15N4O14P3 507.97977 http://www.hmdb.ca/metabolites/HMDB00189 HMDB NA NA +HMDB00189 Inosine triphosphate C10H15N4O14P3 507.97977 HMDB00189 PFEM_hmdb_metabocards_official NA NA +C00081 ITP C10H15N4O14P3 507.9798 NA KEGG NA NA +C01348 dXTP C10H15N4O14P3 507.9798 NA KEGG NA NA +MJ075272 Viridomycin A; Monoalcohol C21H14FeN3O9 508.007946 NA MeJP NA NA +MJ075273 Fringelite F; 10,11-Dihydroxy C28H12O10 508.043046 NA MeJP NA NA +MJ075274 6-Demethyltetracycline; 7-Bromo C21H21BrN2O8 508.048128 NA MeJP NA NA +MJ075275 Griseorhodin A C25H16O12 508.064175 NA MeJP NA NA +C12048 Griseorhodin A C25H16O12 508.0642 NA KEGG NA NA +MJ075276 3-Indolylmethyl glucosinolate; N,4-Dimethoxy C18H24N2O11S2 508.082151 NA MeJP NA NA +FL5FECGS0007 Patuletin 3-glucuronide C22H20O14 508.0853 33530-67-5 knapsack NA NA +MJ075277 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-D-Glucuronopyranoside C22H20O14 508.085305 NA MeJP NA NA +MJ075278 Antibiotic N 1999A2 C27H21ClO8 508.092495 NA MeJP NA NA +MJ075279 1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 1,2,4,4'-Tetra-Ac C26H20O11 508.100561 NA MeJP NA NA +MJ075280 1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 1,2,4,7-Tetra-Ac C26H20O11 508.100561 NA MeJP NA NA +MJ075281 1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 1,2,4,8-Tetra-Ac C26H20O11 508.100561 NA MeJP NA NA +MJ075282 Kirschsteinin C26H20O11 508.100561 NA MeJP NA NA +MJ075283 1,4',5',8,9'-Pentahydroxy-2',6-dimethyl[2,9'-bianthracene]-9,10'(9'H,10H)-dione; 10-Oxo C30H20O8 508.115817 NA MeJP NA NA +MJ075284 Hypericodehydrodianthrone C30H20O8 508.115817 NA MeJP NA NA +MJ075285 Lespedezol B2 C30H20O8 508.115817 NA MeJP NA NA +MJ075286 Rheidin A; 2'-Deoxy C30H20O8 508.115817 NA MeJP NA NA +MJ075287 2',3',5,6',7,8-Hexahydroxyflavone; 2',8-Di-Me ether, 6'-O-?-D-glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075288 2',4',5,5',6,7-Hexahydroxyflavone; 5',6-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075289 3',4',5,6,7,8-Hexahydroxyflavone; 6,7-Di-Me ether, 8-O-?-D-glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075290 3',4',5,6,7,8-Hexahydroxyflavone; 6,8-Di-Me ether, 7-O-?-D-glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075291 3',4',5,6,7,8-Hexahydroxyflavone; 7,8-Di-Me ether, 6-O-?-D-glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075292 3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone; 4'-O-?-D-Glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075293 3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone; 6-O-?-D-Glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075294 3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone; 6-O-D-Galactoside C23H24O13 508.12169 NA MeJP NA NA +MJ075295 3',4',5,7-Tetrahydroxy-3,6-dimethoxyflavone; 7-O-?-D-Glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075296 3,3',4',5,5',6,7-Heptahydroxyflavone; 6,7-Di-Me ether, 3-O-?-L-rhamnopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075297 3,3',4',5,5',7,8-Heptahydroxyflavone; 5',8-Di-Me ether, 3-O-?-L-rhamnopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075298 3,3',4',5,5',7-Hexahydroxyflavone; 3',4'-Di-Me ether, 3-O-?-D-glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075299 3,3',4',5,5',7-Hexahydroxyflavone; 4',7-Di-Me ether, 3-O-D-galactoside C23H24O13 508.12169 NA MeJP NA NA +MJ075300 3,3',4',5,6,7-Hexahydroxyflavone; 3',7-Di-Me ether, 6-O-?-D-glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075301 3,3',4',5,7,8-Hexahydroxyflavone; 4',7-Di-Me ether, 8-O-?-D-glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075302 3,3',4',5,7,8-Hexahydroxyflavone; 4',8-Di-Me ether, 3-O-?-D-glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075303 3,3',4',5,7,8-Hexahydroxyflavone; 7,8-Di-Me ether, 3-O-?-D-glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075304 3,3',4',5,7,8-Hexahydroxyflavone; 7,8-Di-Me ether, 4'-O-?-D-glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075305 3,3',4',5-Tetrahydroxy-6,7-dimethoxyflavone; 3-O-?-D-Galactopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075306 3,3',4',5-Tetrahydroxy-6,7-dimethoxyflavone; 3-O-?-D-Glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075307 3,4',5,7,8-Pentahydroxyflavanone, 8-O-(2-Acetyl-?-D-glucopyranoside) C23H24O13 508.12169 NA MeJP NA NA +MJ075308 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-?-D-Galactopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075309 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-?-D-Glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075310 3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-?-D-Glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075311 3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 7-O-?-D-Glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075312 3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 3-O-?-D-Galactopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075313 3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 3-O-?-D-Glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075314 3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 7-O-?-D-Glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075315 3,4-Dihydro-4,5,8-trihydroxy-1(2H)-naphthalenone, 5-O-[(3,4,5-Trihydroxybenzoyl)-(?6)-?-D-glucopyranoside] C23H24O13 508.12169 NA MeJP NA NA +MJ075316 4',5,6,7-Tetrahydroxy-3,3'-dimethoxyflavone; 7-O-?-D-Glucopyranoside C23H24O13 508.12169 NA MeJP NA NA +MJ075317 6-Glucosyl-3,3',4',5,5',7-hexahydroxyflavone; 3',5'-Di-Me ether C23H24O13 508.12169 NA MeJP NA NA +MJ075318 Bergenin; 11-O-(3-Hydroxy-4,5-dimethoxybenzoyl) C23H24O13 508.12169 NA MeJP NA NA +MJ075319 Bergenin; 11-O-(4-Hydroxy-3,5-dimethoxybenzoyl) C23H24O13 508.12169 NA MeJP NA NA +FL3FF8GS0009 5,7,3',6'-Tetrahydroxy-8,2'-dimethoxyflavone 6'-glucoside C23H24O13 508.12169 155014-34-9 knapsack NA NA +FL3FGCGS0002 5,7,3',4'-Tetrahydroxy-6,8-dimethoxyflavone 7-glucoside C23H24O13 508.12169 76746-57-1 knapsack NA NA +FL3FGCGS0003 5,8,3',4'-Tetrahydroxy-6,7-dimethoxyflavone 8-glucoside C23H24O13 508.12169 93290-68-7 knapsack NA NA +FL3FGCGS0011 Pleurostimin 7-methyl ether 6-glucoside;5,6,3',4'-Tetrahydroxy-7,8-dimethoxyflavone 6-glucoside C23H24O13 508.12169 - knapsack NA NA +FL4DFAGS0002 2''-Acetylcallunin C23H24O13 508.12169 164920-58-5 knapsack NA NA +FL5FAICS0001 Moghanin A;6-beta-D-Glucopyranosyl-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one C23H24O13 508.12169 194782-36-0 knapsack NA NA +FL5FAIGA0001 Syringetin 3-galactoside C23H24O13 508.12169 55025-56-4 knapsack NA NA +FL5FAIGL0001 Syringetin 3-glucoside C23H24O13 508.12169 40039-49-4 knapsack NA NA +FL5FAKGS0002 Myricetin 3',4'-dimethyl ether 3-glucoside;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-1-benzopyran-4-one C23H24O13 508.12169 244775-37-9 knapsack NA NA +FL5FCJGA0001 Myricetin 7,4'-dimethyl ether 3-galactoside C23H24O13 508.12169 86828-99-1 knapsack NA NA +FL5FECGA0004 Eupatolitin 3-galactoside C23H24O13 508.12169 98604-36-5 knapsack NA NA +FL5FECGL0010 Eupatolitin 3-glucoside C23H24O13 508.12169 38900-24-2 knapsack NA NA +FL5FECGL0011 Spinacetin 3-glucoside C23H24O13 508.12169 81563-84-0 knapsack NA NA +FL5FECGS0013 Axillaroside C23H24O13 508.12169 41749-40-0 knapsack NA NA +FL5FECGS0015 Tomentin 6-galactoside C23H24O13 508.12169 76057-15-3 knapsack NA NA +FL5FECGS0016 Tomentin 6-glucoside C23H24O13 508.12169 64190-90-5 knapsack NA NA +FL5FECGS0017 Tomentin 4'-glucoside C23H24O13 508.12169 71827-17-3 knapsack NA NA +FL5FECGS0019 Quercetagetin 3,3'-dimethyl ether 7-glucoside C23H24O13 508.12169 - knapsack NA NA +FL5FECGS0022 Spinacetin 7-glucoside C23H24O13 508.12169 60048-89-7 knapsack NA NA +FL5FECGS0067 Quercetagetin 7,3'-dimethyl ether 6-glucoside;6-(beta-D-Glucopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C23H24O13 508.12169 224623-25-0 knapsack NA NA +FL5FFCGA0006 Limocitrin 3-galactoside C23H24O13 508.12169 103839-19-6 knapsack NA NA +FL5FFCGL0009 Gossypetin 7,8-dimethyl ether 3-glucoside;2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one C23H24O13 508.12169 161895-69-8 knapsack NA NA +FL5FFCGL0010 Limocitrin 3-glucoside C23H24O13 508.12169 38836-51-0 knapsack NA NA +FL5FFCGS0014 Gossypetin 7,8-dimethyl ether 4'-glucoside C23H24O13 508.12169 161895-70-1 knapsack NA NA +FL5FFCGS0015 Gossypetin 7,4'-dimethyl ether 8-glucoside C23H24O13 508.12169 32427-55-7 knapsack NA NA +FL5FFCGS0017 Limocitrin 7-glucoside C23H24O13 508.12169 119628-58-9 knapsack NA NA +FL5FFCGS0025 Gossypetin 3,8-dimethyl ether 5-glucoside;2-(3,4-Dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3,8-dimethoxy-4H-1-benzopyran-4-one C23H24O13 508.12169 637774-69-7 knapsack NA NA +FL5FFGGS0002 Hibiscetin 8,3'-dimethyl ether 3-rhamnoside;8-Hydroxymyricetin 8,5'-dimethyl ether 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one C23H24O13 508.12169 167499-82-3 knapsack NA NA +MJ075320 8-Methoxychlorotetracycline C23H25ClN2O9 508.124858 NA MeJP NA NA +MJ075321 Clomocycline C23H25ClN2O9 508.124858 NA MeJP NA NA +MJ075322 1,8-Dihydroxy-3-hydroxymethyl-10-lyxosyl-9(10H)-anthracenone; 1'-Benzoyl C27H24O10 508.136946 NA MeJP NA NA +MJ075323 Picramnioside E C27H24O10 508.136946 NA MeJP NA NA +MJ075324 Xanthocercin B; 5''-Methoxy C27H24O10 508.136946 NA MeJP NA NA +MJ075325 2-(Diphenylmethyl)-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine C27H29IN2 508.137542 NA MeJP NA NA +PJ003196 DDEM C18H28N4O11S 508.1476 NA PeJP NA NA +MJ075326 Ararobinol; 6-Methoxy C31H24O7 508.152203 NA MeJP NA NA +MJ075327 Ararobinol; 7-Methoxy C31H24O7 508.152203 NA MeJP NA NA +PJ003197 CCHF C21H28N6O5S2 508.1563 NA PeJP NA NA +MJ075328 Antirrhinoside; 5-Epimer, 6'-O-(4-hydroxycinnamoyl) C24H28O12 508.158076 NA MeJP NA NA +MJ075329 Antirrhinoside; 6'-O-(4-Hydroxycinnamoyl) C24H28O12 508.158076 NA MeJP NA NA +MJ075330 Arbutin; 2-O-(5-O-Benzoyl-?-D-apiofuranosyl) C24H28O12 508.158076 NA MeJP NA NA +MJ075331 Aucubigenin; 10-O-(3,4-Dihydroxycinnamoyl), 1-O-?-D-glucopyranoside C24H28O12 508.158076 NA MeJP NA NA +MJ075332 Catalpol; 10-(4-Hydroxy-E-cinnamoyl) C24H28O12 508.158076 NA MeJP NA NA +MJ075333 Catalpol; 10-O-(4-Hydroxy-Z-cinnamoyl) C24H28O12 508.158076 NA MeJP NA NA +MJ075334 Catalpol; 6'-O-(4-Hydroxy-E-cinnamoyl) C24H28O12 508.158076 NA MeJP NA NA +MJ075335 Catalpol; 6-O-(4-Hydroxy-Z-cinnamoyl) C24H28O12 508.158076 NA MeJP NA NA +MJ075336 Catalpol; 6-O-(4-Hydroxycinnamoyl) C24H28O12 508.158076 NA MeJP NA NA +MJ075337 Javanicin C24H28O12 508.158076 NA MeJP NA NA +MJ075338 Monomelittoside; 6-(4-Hydroxy-E-cinnamoyl) C24H28O12 508.158076 NA MeJP NA NA +MJ075339 Monotropein; 10-Benzoyl, Me ester C24H28O12 508.158076 NA MeJP NA NA +PJ003198 GSCNE C17H28N6O10S 508.1588 NA PeJP NA NA +MJ075340 4,7-Didehydroneophysalin B C28H28O9 508.173332 NA MeJP NA NA +MJ075341 Chrysomycin A C28H28O9 508.173332 NA MeJP NA NA +MJ075342 Rocaglatic acid; 3'-Hydroxy, Me ester C28H28O9 508.173332 NA MeJP NA NA +PJ003199 SCNW C21H28N6O7S 508.174 NA PeJP NA NA +PJ003200 SSSND C17H28N6O12 508.1765 NA PeJP NA NA +PJ003201 NNMM C18H32N6O7S2 508.1774 NA PeJP NA NA +MJ075343 Aucubigenin; 1,10-Di-O-?-D-glucopyranoside C21H32O14 508.179205 NA MeJP NA NA +MJ075344 Aucubigenin; 1-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C21H32O14 508.179205 NA MeJP NA NA +MJ075345 Aucubigenin; 1-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C21H32O14 508.179205 NA MeJP NA NA +MJ075346 Catalpol; 6-O-?-L-Rhamnopyranoside C21H32O14 508.179205 NA MeJP NA NA +MJ075347 Catalpol; O6-Me, 6'-O-?-D-xylopyranoside C21H32O14 508.179205 NA MeJP NA NA +MJ075348 Decaloside; 11-O-?-D-Alloside C21H32O14 508.179205 NA MeJP NA NA +MJ075349 Monomelittoside; 5-O-?-D-Glucopyranoside, 10-deoxy C21H32O14 508.179205 NA MeJP NA NA +MJ075350 Mussaenosidic acid; 2'-O-?-D-Apiofuranosyl C21H32O14 508.179205 NA MeJP NA NA +MJ075351 Riboflavine; 5'-?-D-Ribofuranoside C22H28N4O10 508.180543 NA MeJP NA NA +PJ003202 PDDY C22H28N4O10 508.1806 NA PeJP NA NA +PJ003203 TEEM C19H32N4O10S 508.1839 NA PeJP NA NA +PJ003204 PMMM C20H36N4O5S3 508.1848 NA PeJP NA NA +MJ075352 6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 12-Ketone, 2-butanoyl, 9-Ac C26H33ClO8 508.186395 NA MeJP NA NA +MJ075353 3,4-Dihydro-5-methoxy-12-methyl-2,8-diphenyl-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-11,13-diol C32H28O6 508.188588 NA MeJP NA NA +MJ075354 Dracoflavan B1; 3-Deoxy, 5-O-de-Me C32H28O6 508.188588 NA MeJP NA NA +PJ003205 CCQR C17H32N8O6S2 508.1886 NA PeJP NA NA +PJ003206 GACCR C17H32N8O6S2 508.1887 NA PeJP NA NA +MJ075355 Nikkomycin ZT C21H28N6O9 508.191776 NA MeJP NA NA +MJ075356 Wybutosine C21H28N6O9 508.191776 NA MeJP NA NA +PJ003207 NNDF C21H28N6O9 508.1918 NA PeJP NA NA +MJ075357 1,7-Bis(3,4-dihydroxyphenyl)-5-hydroxy-3-heptanone, 5-O-?-D-Glucopyranoside C25H32O11 508.194461 NA MeJP NA NA +MJ075358 1-(Dimethylaminomethyl)-5-isopropyl-3,8-dimethylazulene C25H32O11 508.194461 NA MeJP NA NA +MJ075359 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3'-Me ether, 4'-O-?-D-glucopyranoside C25H32O11 508.194461 NA MeJP NA NA +MJ075360 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3'-Me ether, 5-O-?-D-glucopyranoside C25H32O11 508.194461 NA MeJP NA NA +MJ075361 8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-(2-methylpropenoyl), 15-O-?-D-glucopyranoside C25H32O11 508.194461 NA MeJP NA NA +MJ075362 8,15-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl), 15-O-?-D-glucopyranoside C25H32O11 508.194461 NA MeJP NA NA +MJ075363 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl), 9-Ac, Me ester C25H32O11 508.194461 NA MeJP NA NA +MJ075364 Brachycalyxolide; 16?,17-Dihydro C25H32O11 508.194461 NA MeJP NA NA +MJ075365 Gibberellenic acid; 3-O-?-D-Glucopyranoside C25H32O11 508.194461 NA MeJP NA NA +MJ075366 Gibberellin A3; 3-O-?-D-Glucopyranoside C25H32O11 508.194461 NA MeJP NA NA +MJ075367 Isogibberellic acid; 3-O-?-D-Glucopyranoside C25H32O11 508.194461 NA MeJP NA NA +MJ075368 Ponalactone A; ?-D-Glucopyranoside C25H32O11 508.194461 NA MeJP NA NA +C04070 Gibberellin 2-O-beta-D-glucoside C25H32O11 508.1945 NA KEGG NA NA +PJ003208 GSSQM C18H32N6O9S 508.1952 NA PeJP NA NA +MJ075369 Libecillide C23H32N4O7S 508.19917 NA MeJP NA NA +PJ003209 PDMF C23H32N4O7S 508.1992 NA PeJP NA NA +PJ003210 VEMM C20H36N4O7S2 508.2026 NA PeJP NA NA +PJ003211 SEHH C20H28N8O8 508.203 NA PeJP NA NA +PJ003212 GSSCR C17H32N8O8S 508.2064 NA PeJP NA NA +MJ075370 Mortonin C C29H32O8 508.209718 NA MeJP NA NA +MJ075371 Mortonin D C29H32O8 508.209718 NA MeJP NA NA +MJ075372 Kirondrine C30H28N4O4 508.211055 NA MeJP NA NA +MJ075373 Staurosporine; 4'-N-Ac C30H28N4O4 508.211055 NA MeJP NA NA +MJ075374 Kumujansine; 8',11-Dimethoxy C30H29N4O4(+) 508.211055 NA MeJP NA NA +MJ075375 Picrasidine T, Di-Me ether C30H29N4O4(+) 508.211055 NA MeJP NA NA +PJ003213 SSSTQ C18H32N6O11 508.2129 NA PeJP NA NA +PJ003214 CQKM C19H36N6O6S2 508.2138 NA PeJP NA NA +MJ075376 6-O-Oleuropeoylsucrose C22H36O13 508.215591 NA MeJP NA NA +PJ003215 PTEY C23H32N4O9 508.2169 NA PeJP NA NA +PJ003216 VDEF C23H32N4O9 508.217 NA PeJP NA NA +PJ003217 CLHH C21H32N8O5S 508.2217 NA PeJP NA NA +PJ003218 CCKR C18H36N8O5S2 508.225 NA PeJP NA NA +MJ075377 Strellidimine C34H28N4O 508.226311 NA MeJP NA NA +MJ075378 Difluprednate C27H34F2O7 508.227259 NA MeJP NA NA +MJ075379 Procinonide C27H34F2O7 508.227259 NA MeJP NA NA +PJ003219 AQQY C22H32N6O8 508.2282 NA PeJP NA NA +MJ075380 1,19:7,8:17,18-Triepoxy-10(17),13-xenicadiene-6,11,12,18-tetrol; 11,12,18-Tri-Ac C26H36O10 508.230847 NA MeJP NA NA +MJ075381 11(15?1)-Abeo-2,5,7,9,10,15-hexahydroxy-4(20),11-taxadien-13-one, 2,9,10-Tri-Ac C26H36O10 508.230847 NA MeJP NA NA +MJ075382 11,20-Epoxy-2,8,9,14-tetrahydroxy-5-briaren-18,7-olide; 2,9,14-Tri-Ac C26H36O10 508.230847 NA MeJP NA NA +MJ075383 2,4,8,9,14-Pentahydroxy-5,11(20)-briaradien-18,7-olide; 2,9,14-Tri-Ac C26H36O10 508.230847 NA MeJP NA NA +MJ075384 2,4,8,9,14-Pentahydroxy-5,11-briaradien-18,7-olide, 2,4,14-Tri-Ac C26H36O10 508.230847 NA MeJP NA NA +MJ075385 2,8,10,11-Tetrahydroxy-3-guaien-12,6-olide, 8-(2-Methylbutanoyl), 2,10,11-tri-Ac C26H36O10 508.230847 NA MeJP NA NA +MJ075386 2,8,9,11,12-Pentahydroxy-5,13-briaradien-18,7-olide; 2,9,12-Tri-Ac C26H36O10 508.230847 NA MeJP NA NA +MJ075387 2,8,9,14,16-Pentahydroxy-5,11-briaradien-18,7-olide, 2,9,14-Tri-Ac C26H36O10 508.230847 NA MeJP NA NA +MJ075388 2,9,12,14-Tetrahydroxy-5,8(17)-briaradien-18,7-olide; 8?,17?-Epoxide, 2,9,14-tri-Ac C26H36O10 508.230847 NA MeJP NA NA +MJ075389 3,7,8,10,11-Pentahydroxy-4-guaien-12,6-olide, 3-Angeloyl, 8-butanoyl, 10-Ac C26H36O10 508.230847 NA MeJP NA NA +MJ075390 4,18-Epoxy-6,8,11,19-tetrahydroxy-13-cleroden-15,16-olide, 6,11,19-Tri-Ac C26H36O10 508.230847 NA MeJP NA NA +MJ075391 4,18:8,13-Diepoxy-6,7,19-trihydroxy-15,16-clerodanolide, Tri-Ac C26H36O10 508.230847 NA MeJP NA NA +MJ075392 4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 3-Ketone, 6,7,9-tri-Ac C26H36O10 508.230847 NA MeJP NA NA +MJ075393 8,17-Epoxy-2,9,12,14-tetrahydroxy-5-briaren-18,7-olide; 2,12,14-Tri-Ac C26H36O10 508.230847 NA MeJP NA NA +MJ075394 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Dihydroxy-2-methylbutanoyl), 9-(2-methylbutanoyl), Me ester (1) C26H36O10 508.230847 NA MeJP NA NA +MJ075395 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Dihydroxy-2-methylbutanoyl), 9-(2-methylbutanoyl), Me ester (2) C26H36O10 508.230847 NA MeJP NA NA +MJ075396 Betolide; 17-Alcohol, 14-O-?-D-glucopyranoside C26H36O10 508.230847 NA MeJP NA NA +MJ075397 Betolide; 17-Alcohol, 15-O-?-D-glucopyranoside C26H36O10 508.230847 NA MeJP NA NA +MJ075398 Betolide; 17-Alcohol, 17-O-?-D-glucopyranoside C26H36O10 508.230847 NA MeJP NA NA +MJ075399 Cafamarine C26H36O10 508.230847 NA MeJP NA NA +MJ075400 Gibberellin A15; 3?-Hydroxy, ?-D-glucopyranosyl ester C26H36O10 508.230847 NA MeJP NA NA +MJ075401 Helioxenicin A C26H36O10 508.230847 NA MeJP NA NA +MJ075402 Mascarol; 15-Deoxy, 11-O-?-D-glucopyranoside C26H36O10 508.230847 NA MeJP NA NA +MJ075403 Melianolone C26H36O10 508.230847 NA MeJP NA NA +MJ075404 Secoisolariciresinol, 9-O-?-L-Rhamnopyranoside C26H36O10 508.230847 NA MeJP NA NA +MJ075405 T2 Toxin; Ac C26H36O10 508.230847 NA MeJP NA NA +MJ075406 chiro-Inositol, 1,2,3,5-Tetra-O-angeloyl C26H36O10 508.230847 NA MeJP NA NA +MJ075407 chiro-Inositol, 1,2,4,5-Tetra-O-angeloyl C26H36O10 508.230847 NA MeJP NA NA +MJ075408 myo-Inositol; 1,2,4,5-Tetra-O-angeloyl C26H36O10 508.230847 NA MeJP NA NA +MJ075409 myo-Inositol; 1,2,4,6-Tetra-O-angeloyl C26H36O10 508.230847 NA MeJP NA NA +PJ003220 GSSKM C19H36N6O8S 508.2316 NA PeJP NA NA +PJ003221 PVMY C24H36N4O6S 508.2356 NA PeJP NA NA +MJ075410 Clocortolone; 21-Hexanoyl C28H38ClFO5 508.23918 NA MeJP NA NA +PJ003222 GNRY C21H32N8O7 508.2394 NA PeJP NA NA +FL2FACNP0012 Tanariflavanone A;5,3',4'-Trihydroxy-2'-geranyl-(5''-hydroxy-6'',6''-dimethyldihydropyrano[2'',3'':7,6])flavanone C30H36O7 508.2461 352276-80-3 knapsack NA NA +FL2FALNI0025 Exiguaflavanone J C30H36O7 508.2461 156281-20-8 knapsack NA NA +FL2FALNI0036 Tomentosanol E;5,7,2',4',6'-Pentahydroxy-8-prenyl-6-geranylflavanone C30H36O7 508.2461 202054-74-8 knapsack NA NA +FL4DACNI0002 Petalostemumol C30H36O7 508.2461 152253-68-4 knapsack NA NA +FL4DALNI0002 Kushenol M C30H36O7 508.2461 101236-51-5 knapsack NA NA +FL4DALNI0009 Sanggenol K;3,5,7,2',4'-Pentahydroxy-6-prenyl-3'-geranylflavanone C30H36O7 508.2461 202526-56-5 knapsack NA NA +FL4DALNI0010 Sanggenol D;3,5,7,2',4'-Pentahydroxy-5'-prenyl-3'-geranylflavanone C30H36O7 508.2461 174423-33-7 knapsack NA NA +MJ075411 3,3',4',5,7-Pentahydroxy-2',6',8-triprenylflavanone C30H36O7 508.246103 NA MeJP NA NA +MJ075412 Exiguaflavanone J C30H36O7 508.246103 NA MeJP NA NA +MJ075413 Kushenol M C30H36O7 508.246103 NA MeJP NA NA +MJ075414 Mahonin C30H36O7 508.246103 NA MeJP NA NA +MJ075415 Ornativolide; 2,3-Dihydro C30H36O7 508.246103 NA MeJP NA NA +MJ075416 Pungiolide A C30H36O7 508.246103 NA MeJP NA NA +MJ075417 Sanggenol D C30H36O7 508.246103 NA MeJP NA NA +MJ075418 Sanggenol K C30H36O7 508.246103 NA MeJP NA NA +MJ075419 Tanariflavanone A C30H36O7 508.246103 NA MeJP NA NA +MJ075420 Tomentosanol E C30H36O7 508.246103 NA MeJP NA NA +MJ075421 Argatroban C23H36N6O5S 508.246788 NA MeJP NA NA +C04931 Argatroban C23H36N6O5S 508.2468 NA KEGG NA NA +C15553 PD 123319 C31H32N4O3 508.2474 NA KEGG NA NA +MJ075422 1-[(4-Amino-3-methylphenyl)methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid, N,N-Di-Me C31H32N4O3 508.24744 NA MeJP NA NA +PJ003223 SSSTK C19H36N6O10 508.2493 NA PeJP NA NA +PJ003224 CKKM C20H40N6O5S2 508.2502 NA PeJP NA NA +PJ003225 VVEY C24H36N4O8 508.2533 NA PeJP NA NA +MJ075423 Aestivophoenin B; Debenzoyl C29H36N2O6 508.257336 NA MeJP NA NA +MJ075424 Elegansamine C29H36N2O6 508.257336 NA MeJP NA NA +MJ075425 Gelsamydine C29H36N2O6 508.257336 NA MeJP NA NA +MJ075426 2-Butyl-6-(1-methoxy-1-methylethyl)-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4(3H)-quinazolinone C30H32N6O2 508.258674 NA MeJP NA NA +2826 PEP inhibitor APTMPPPLPP 508.2602 MH2+ Inhouse_peptide NA peptide +PJ003226 AQKY C23H36N6O7 508.2646 NA PeJP NA NA +7573 ACE inhibitor from chicken troponin C RMLGNTPTK 508.26465 MH2+ Inhouse_peptide NA peptide +MJ075427 1,10-Epoxy-11-germacrene-3,4,5,8,9-pentol, 3,8-Diangeloyl, 9-Ac C27H40O9 508.267232 NA MeJP NA NA +MJ075428 1,10-Epoxy-11-germacrene-3,4,5,8,9-pentol, 3-Angeloyl, 8-(3-methyl-2-butenoyl), 9-Ac C27H40O9 508.267232 NA MeJP NA NA +MJ075429 1,2,11-Trihydroxy-12-oxo-7-drimen-15,11-olide, 2-O-(2R-Acetoxydecanoyl) C27H40O9 508.267232 NA MeJP NA NA +MJ075430 15,17-Epoxy-6,15,17-trihydroxy-16-isocopalanoic acid, Tri-Ac, Me ester C27H40O9 508.267232 NA MeJP NA NA +MJ075431 2,12,14-Trihydroxy-9-oxo-5,7-briaradien-18-oic acid; 7?,8?-Epoxide, 2-butanoyl, 14-Ac, Me ester C27H40O9 508.267232 NA MeJP NA NA +MJ075432 2,19:4,18:11,16:15,16-Tetraepoxy-6,15,19-clerodanetriol, 19-(2S-Methylbutanoyl), 6-Ac C27H40O9 508.267232 NA MeJP NA NA +MJ075433 2,19:4,18:15,16-Triepoxy-6,7,16,19-clerodanetetrol, 19-Tigloyl, 6-Ac C27H40O9 508.267232 NA MeJP NA NA +MJ075434 2,8,10,11-Tetrahydroxy-3-guaien-12,6-olide, 8-(2-Methylbutanoyl), 2-(3-methylbutanoyl), 10-Ac C27H40O9 508.267232 NA MeJP NA NA +MJ075435 3,14-Dihydroxypregn-5-ene-7,20-dione, 3-O-?-D-Glucopyranoside C27H40O9 508.267232 NA MeJP NA NA +MJ075436 3,4-Epoxy-7(14)-bisabolene-1,2,8,10,11-pentol; 2,8-Diangeloyl, 1-Ac C27H40O9 508.267232 NA MeJP NA NA +MJ075437 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-(2S-Methylbutanoyl), 19-Ac C27H40O9 508.267232 NA MeJP NA NA +MJ075438 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-(2S-Methylbutanoyl), 6-Ac C27H40O9 508.267232 NA MeJP NA NA +MJ075439 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 12-(2S-Methylbutanoyl), 19-Ac C27H40O9 508.267232 NA MeJP NA NA +MJ075440 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 12-(2S-Methylbutanoyl), 6-Ac C27H40O9 508.267232 NA MeJP NA NA +MJ075441 4,18-Epoxy-6,8,11,19-tetrahydroxy-13-cleroden-15,16-olide, 6-(2-Methylbutanoyl), 11-Ac C27H40O9 508.267232 NA MeJP NA NA +MJ075442 4,5-Epoxy-1(10),11(13)-germacradiene-9,12,14,15-tetrol, 14-(3-Hydroxy-2-methylbutanoyl), 9-(3-methyl-2-butenoyl), 12-Ac C27H40O9 508.267232 NA MeJP NA NA +MJ075443 4,5-Epoxy-1(10),11(13)-germacradiene-9,12,14,15-tetrol, 14-(3-Hydroxy-2-methylbutanoyl), 9-angeloyl, 12-Ac C27H40O9 508.267232 NA MeJP NA NA +MJ075444 4,5-Epoxy-1(10),11(13)-germacradiene-9,12,14,15-tetrol, 14-(3-Hydroxy-2-methylbutanoyl), 9-tigloyl, 12-Ac C27H40O9 508.267232 NA MeJP NA NA +MJ075445 Soraphen A; 12,13-Dihydro, 13?-hydroxy, 10,11-bis-O-de-Me, 11-ketone C27H40O9 508.267232 NA MeJP NA NA +MJ075446 Soraphen A; 3''-Hydroxy, di-O-de-Me C27H40O9 508.267232 NA MeJP NA NA +MJ075447 Spirost-25(27)-ene-1,2,3,4,5,6,7-heptol, 6-Ketone C27H40O9 508.267232 NA MeJP NA NA +MJ075448 Aphelandrine, N6-Hydroxy C28H36N4O5 508.26857 NA MeJP NA NA +PJ003227 PVFF C28H36N4O5 508.2686 NA PeJP NA NA +PJ003228 VLMF C25H40N4O5S 508.272 NA PeJP NA NA +2936 myelopeptide FRPRIMTP 508.2727 MH2+ Inhouse_peptide NA peptide +PJ003229 PQKH C22H36N8O6 508.2758 NA PeJP NA NA +MJ075449 26,26,26,27,27,27-Hexafluoro-9,10-secocholesta-5,7,10(19)-triene-1,3-diol C27H38F6O2 508.277599 NA MeJP NA NA +MJ075450 Amauromine C32H36N4O2 508.283826 NA MeJP NA NA +MJ075451 Fellutanine B; N1''-(1,1-Dimethyl-2-propenyl) C32H36N4O2 508.283826 NA MeJP NA NA +MJ075452 Fellutanine C C32H36N4O2 508.283826 NA MeJP NA NA +MJ075453 Nigrifortine C32H36N4O2 508.283826 NA MeJP NA NA +MJ075454 Usambarensine; 1R',2',3',4'-Tetrahydro, Nb-ethoxycarbonyl(?-) C32H36N4O2 508.283826 NA MeJP NA NA +MJ075455 3-Hydroxyergosta-5,24(28)-dien-19-oic acid, 3-Sulfate C28H44O6S 508.285859 NA MeJP NA NA +MJ075456 7-Megastigmene-3,9-diol, 7,8-Dihydro, 3-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C24H44O11 508.288362 NA MeJP NA NA +PJ003230 TLLY C25H40N4O7 508.2897 NA PeJP NA NA +MJ075457 Aburatubolactam A C30H40N2O5 508.293722 NA MeJP NA NA +MJ075458 Aburatubolactam B; 25-Deoxy C30H40N2O5 508.293722 NA MeJP NA NA +PJ003231 AKKY C24H40N6O6 508.301 NA PeJP NA NA +MJ075459 1(10),4-Germacradien-6-ol, O-(2-O-Angeloyl-6-O-acetyl-?-O-glucopyranoside) C28H44O8 508.303618 NA MeJP NA NA +MJ075460 16-Kaurene-6,15,20-triol, 6-Deoxy, 20-O-(2-acetyl-?-D-glucopyranoside) C28H44O8 508.303618 NA MeJP NA NA +MJ075461 2,3,11,14,20,22,25-Heptahydroxyergost-7-en-6-one, 24,28-Didehydro C28H44O8 508.303618 NA MeJP NA NA +MJ075462 22,23-Epoxy-2,3,11,14,20,25-hexahydroxyergost-7-en-6-one C28H44O8 508.303618 NA MeJP NA NA +MJ075463 3,12,14,17-Tetrahydroxypregn-5-en-20-one, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranoside) C28H44O8 508.303618 NA MeJP NA NA +MJ075464 3,5,6,8,12,14-Hexahydroxypregnan-20-one, 12-(3,4-Dimethyl-2-pentenoyl) C28H44O8 508.303618 NA MeJP NA NA +MJ075465 3,7-Dolabelladiene-2,16,18-triol, 16-(3-Hydroxy-3-methylglutaryl), 18-Ac C28H44O8 508.303618 NA MeJP NA NA +MJ075466 3,7-Dolabelladiene-2,16,18-triol, 16-(3-Hydroxy-3-methylglutaryl), 2-Ac C28H44O8 508.303618 NA MeJP NA NA +MJ075467 Gaudichaudioside F C28H44O8 508.303618 NA MeJP NA NA +MJ075468 Siphonarin A; 3?-Alcohol C28H44O8 508.303618 NA MeJP NA NA +MJ075469 Siserrone A C28H44O8 508.303618 NA MeJP NA NA +MJ075470 Soraphen A; 12,13-Dihydro, 11-O-de-Me C28H44O8 508.303618 NA MeJP NA NA +MJ075471 Soraphen A; 12,13-Dihydro, 18-O-de-Me C28H44O8 508.303618 NA MeJP NA NA +MJ075472 Soraphen R; 10,11-Di-Me ether C28H44O8 508.303618 NA MeJP NA NA +PJ003232 PKKH C23H40N8O5 508.3122 NA PeJP NA NA +MJ075473 Bengazole Z; O2-Tetradecanoyl C27H44N2O7 508.314851 NA MeJP NA NA +MJ075474 Bengazole Z; O3-Tetradecanoyl C27H44N2O7 508.314851 NA MeJP NA NA +MJ075475 Bengazole Z; O4-Tetradecanoyl C27H44N2O7 508.314851 NA MeJP NA NA +MJ075476 Bengazole Z; O6-Tetradecanoyl C27H44N2O7 508.314851 NA MeJP NA NA +MJ075477 3-Hydroxy-12-oxo-13,15,17(20),22,24-isomalabaricapentaen-26-oic acid, Ac C32H44O5 508.318874 NA MeJP NA NA +MJ075478 3-Hydroxy-12-oxo-13,15,17(20),22,24-malabaricapentaen-28-oic acid, 3-Ac C32H44O5 508.318874 NA MeJP NA NA +MJ075479 Paecilospirone C32H44O5 508.318874 NA MeJP NA NA +MJ075480 Pyrextramine C26H48N6S2 508.338186 NA MeJP NA NA +MJ075481 2,3,14,20,22,23-Hexahydroxystigmast-7-en-6-one C29H48O7 508.340003 NA MeJP NA NA +MJ075482 2,3,14,20,22,25-Hexahydroxystigmast-7-en-6-one C29H48O7 508.340003 NA MeJP NA NA +MJ075483 2,3,14,20,22,26-Hexahydroxystigmast-7-en-6-one C29H48O7 508.340003 NA MeJP NA NA +MJ075484 2,3,14,20,22,28-Hexahydroxystigmast-7-en-6-one C29H48O7 508.340003 NA MeJP NA NA +MJ075485 2,3,14,20,22,29-Hexahydroxystigmast-7-en-6-one C29H48O7 508.340003 NA MeJP NA NA +MJ075486 23-Ethyl-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one C29H48O7 508.340003 NA MeJP NA NA +MJ075487 3,11,14,20,22,26-Hexahydroxystigmast-7-en-6-one C29H48O7 508.340003 NA MeJP NA NA +MJ075488 Cholest-7-ene-2,3,5,6,9,11-hexol, 11-Ac C29H48O7 508.340003 NA MeJP NA NA +MJ075489 Contignasterol C29H48O7 508.340003 NA MeJP NA NA +MJ075490 Stigmasta-7,22-diene-2,3,5,6,9,11,19-heptol C29H48O7 508.340003 NA MeJP NA NA +MJ075491 Isoborreverine; N4,N4'-Di-Me C34H44N4 508.356597 NA MeJP NA NA +MJ075492 Avicennamine C32H48N2O3 508.366493 NA MeJP NA NA +MJ075493 Culantraraminol C32H48N2O3 508.366493 NA MeJP NA NA +MJ075494 Lycofoline; 8-Ketone, 1:1 complex with Lycopodine CDK25-X C32H48N2O3 508.366493 NA MeJP NA NA +MJ075495 2'-Apo-?-carotenal C37H48O 508.370516 NA MeJP NA NA +MJ075496 ?-Apo-2'-carotenal C37H48O 508.370516 NA MeJP NA NA +MJ075497 20,24-Epoxydammarane-3,12,23,25,28-pentol C30H52O6 508.376389 NA MeJP NA NA +MJ075498 Ergostane-1,3,5,6,25-pentol, 25-Ac C30H52O6 508.376389 NA MeJP NA NA +MJ075499 Ergostane-3,5,6,25,26-pentol, 25-Ac C30H52O6 508.376389 NA MeJP NA NA +MJ075500 Lanost-8-ene-2,3,12,21,24,25-hexol C30H52O6 508.376389 NA MeJP NA NA +MJ075501 Sodwanone N C30H52O6 508.376389 NA MeJP NA NA +MJ075502 Demethylcacalohastine; 3,4-Didehydro, 14-octadecyloxy, 9-Me ether C34H52O3 508.391645 NA MeJP NA NA +MJ075503 2-[2-(A'-Neo-30-norgammaceran-22-yl)ethyl]thiophene C35H56S 508.410272 NA MeJP NA NA +HMDB07038 DG(14:1(9Z)/14:1(9Z)/0:0) C31H56O5 508.412781 NA HMDB2010 NA NA +MJ075504 20(30)-Taraxasten-3-ol, Tigloyl C35H56O2 508.428031 NA MeJP NA NA +MJ075505 20-Taraxasten-3-ol, Tigloyl C35H56O2 508.428031 NA MeJP NA NA +MJ075506 Nodolidol; Ac C32H60O4 508.44916 NA MeJP NA NA +MJ075507 Alexidine C26H56N10 508.468941 NA MeJP NA NA +MJ075508 4-Hydroxy-16,18-tritriacontanedione C33H64O3 508.485545 NA MeJP NA NA +MJ075509 5-Hydroxy-12,14-tritriacontanedione C33H64O3 508.485545 NA MeJP NA NA +MJ075510 C37 Botryococcene C37H64 508.500802 NA MeJP NA NA +MJ075511 Budmunchiamine K C31H64N4O 508.508012 NA MeJP NA NA +MJ075512 1-Dotriacontanol; Ac C34H68O2 508.521931 NA MeJP NA NA +MJ075513 1-Hydroxy-4-tetratriacontanone C34H68O2 508.521931 NA MeJP NA NA +MJ075514 2,4,6,8-Tetramethyltriacontanoic acid C34H68O2 508.521931 NA MeJP NA NA +MJ075515 22-Hydroxy-13-tetratriacontanone C34H68O2 508.521931 NA MeJP NA NA +MJ075516 28-Hydroxy-6-methyl-5-tritriacontanone C34H68O2 508.521931 NA MeJP NA NA +MJ075517 3-(2-Methoxypropyl)-4-methyl-2-nonacosanone C34H68O2 508.521931 NA MeJP NA NA +MJ075518 31-Methyltritriacontanoic acid C34H68O2 508.521931 NA MeJP NA NA +MJ075519 32-Hydroxy-5-tetratriacontanone C34H68O2 508.521931 NA MeJP NA NA +MJ075520 5-Hydroxy-9-tetratriacontanone C34H68O2 508.521931 NA MeJP NA NA +MJ075521 Hexadecyl octadecanoate C34H68O2 508.521931 NA MeJP NA NA +MJ075522 Tetratriacontanoic acid C34H68O2 508.521931 NA MeJP NA NA +MJ075523 Tritriacontanoic acid; Me ester C34H68O2 508.521931 NA MeJP NA NA +MJ075524 1-Methoxy-16,20,24-trimethylhentriacontane C35H72O 508.558316 NA MeJP NA NA +MJ075525 1-Methoxy-2,30-dimethyldotriacontane C35H72O 508.558316 NA MeJP NA NA +MJ075526 1-Pentatriacontanol C35H72O 508.558316 NA MeJP NA NA +MJ075527 17-Pentatriacontanol C35H72O 508.558316 NA MeJP NA NA +MJ075528 2-Pentatriacontanol C35H72O 508.558316 NA MeJP NA NA +MJ075529 32-Methyl-8-tetratriacontanol C35H72O 508.558316 NA MeJP NA NA +C13756 Dicloxacillin sodium C19H16Cl2N3O5S 509.0191 NA KEGG NA NA +MJ075530 Flumethrin C28H22Cl2FNO3 509.096077 NA MeJP NA NA +MJ075531 5-Hydroxypentyl glucosinolate; O5-Benzoyl C19H27NO11S2 509.102552 NA MeJP NA NA +MJ075532 8-(Methylthio)octyl glucosinolate; S,S-Dioxide C16H31NO11S3 509.105922 NA MeJP NA NA +MJ075533 3,5-Dihydroxy-2-[[1-oxo-3-(3,4,5-trihydroxyphenyl)-2-propenyl]amino]benzoic acid, 5-O-?-Glucopyranoside C22H23NO13 509.116939 NA MeJP NA NA +PJ003233 GCCNN C16H27N7O8S2 509.1363 NA PeJP NA NA +MJ075534 N6,N6,O-Trimethylpuromycin-5'-phosphate C19H24N7O8P 509.142397 NA MeJP NA NA +C07027 N6,N6,O-Tridemethylpuromycin-5'-phosphate C19H24N7O8P 509.1424 NA KEGG NA NA +PJ003234 GSCDE C17H27N5O11S 509.1428 NA PeJP NA NA +PJ003235 GPCCM C18H31N5O6S3 509.1437 NA PeJP NA NA +C11212 NIK250 C26H27N3O4S2 509.1443 NA KEGG NA NA +PJ003236 SCDW C21H27N5O8S 509.1581 NA PeJP NA NA +PJ003237 SSSDD C17H27N5O13 509.1606 NA PeJP NA NA +PJ003238 NDMM C18H31N5O8S2 509.1614 NA PeJP NA NA +MJ075535 Daunomycin; 8-Deoxy, 7,8-didehydro C27H27NO9 509.168581 NA MeJP NA NA +PJ003239 CCER C17H31N7O7S2 509.1727 NA PeJP NA NA +PJ003240 NDDF C21H27N5O10 509.1758 NA PeJP NA NA +PJ003241 ACMW C22H31N5O5S2 509.1767 NA PeJP NA NA +PJ003242 GSSEM C18H31N5O10S 509.1792 NA PeJP NA NA +PJ003243 CNHH C19H27N9O6S 509.1805 NA PeJP NA NA +MJ075536 Antibiotic F 1370B C23H31N3O8S 509.183185 NA MeJP NA NA +MJ075537 Pyronaamidine; 19-Hydroxy C2525H27N5O7 509.191048 NA MeJP NA NA +PJ003244 SSMW C22H31N5O7S 509.1944 NA PeJP NA NA +PJ003245 SSSTE C18H31N5O12 509.1969 NA PeJP NA NA +PJ003246 TQMM C19H35N5O7S2 509.1978 NA PeJP NA NA +PJ003247 GPPCH C21H31N7O6S 509.2057 NA PeJP NA NA +MJ075538 Troxypyrrolium(1+); 4-Methylbenzenesulfonate C25H35NO8S 509.208337 NA MeJP NA NA +PJ003248 TCMR C18H35N7O6S2 509.209 NA PeJP NA NA +PJ003249 AQEY C22H31N5O9 509.2122 NA PeJP NA NA +PJ003250 GTTTM C19H35N5O9S 509.2156 NA PeJP NA NA +PJ003251 GDRY C21H31N7O8 509.2234 NA PeJP NA NA +MJ075539 Ryanodine; 10-Epimer, 9?-hydroxy C25H35NO10 509.226096 NA MeJP NA NA +MJ075540 Dichotomin E C26H31N5O6 509.227433 NA MeJP NA NA +PJ003252 AAYW C26H31N5O6 509.2275 NA PeJP NA NA +PJ003253 PCKY C23H35N5O6S 509.2308 NA PeJP NA NA +MJ075541 Miproxifene, Phosphate ester C29H36NO5P 509.233109 NA MeJP NA NA +PJ003254 STTTT C19H35N5O11 509.2333 NA PeJP NA NA +PJ003255 TKMM C20H39N5O6S2 509.2342 NA PeJP NA NA +7503 ACE inhibitor TQVY 509.236 antioxidative Inhouse_peptide NA peptide +PJ003256 APHW C25H31N7O5 509.2387 NA PeJP NA NA +MJ075542 Trideacetylpyripyropene A; 7,11-Dideoxy, 3,19-di-Ac C29H35NO7 509.241352 NA MeJP NA NA +PJ003257 GMFR C22H35N7O5S 509.2421 NA PeJP NA NA +MJ075543 Epothilone A; 21-Hydroxy C26H39NO7S 509.244723 NA MeJP NA NA +PJ003258 AKEY C23H35N5O8 509.2486 NA PeJP NA NA +MJ075544 Ostreogrycin A; 13-Deoxy C28H35N3O6 509.252585 NA MeJP NA NA +MJ075545 Paraherquamide A; N17-Oxide C28H35N3O6 509.252585 NA MeJP NA NA +MJ075546 Methionylleucylphenylalanine; L-L-L-form, N-tert-Butyloxycarbonyl C25H39N3O6S 509.255956 NA MeJP NA NA +PJ003259 ATRY C22H35N7O7 509.2598 NA PeJP NA NA +PJ003260 CLKF C24H39N5O5S 509.2672 NA PeJP NA NA +MJ075547 Penochalasin C C32H35N3O3 509.267842 NA MeJP NA NA +C03010 N3'-Acetyltobramycin C20H39N5O10 509.2697 NA KEGG NA NA +C03011 Nalpha-Acetylpeptide C4H6NO3R 509.2697 NA KEGG NA NA +8200 ACE inhibitor PTPVP 509.271 NA ;SYN:()-Piperidine-2-carboxylic acid; (+/-)-2-Piperidinecarboxylate; (+/-)-2-Piperidinecarboxylic acid; (+/-)-Pipecolate; (+/-)-Pipecolic acid; (+/-)-Pipecolinate; (+/-)-Pipecolinic acid; (,+/-,)-2-Piperidinecarboxylic acid; (RS)-2-Piperidinecarboxylate; (RS)-2-Piperidinecarboxylic acid; ,alpha,-Pipecolinic acid; 2-Carboxypiperidine; 2-Pipecolinic acid; 2-Piperidinecarboxylate; 2-Piperidinecarboxylic acid; 2-Piperidinylcarboxylic acid; a-Pipecolinate; a-Pipecolinic acid; acide pipecolique; acide piperidine-carboxylique-2; alpha-Pipecolinate; alpha-Pipecolinic acid; Dihydrobaikiane; DL-2-Piperidinecarboxylate; DL-2-Piperidinecarboxylic acid; DL-Homoproline; DL-Pipecolate; DL-Pipecolic acid; DL-Pipecolinate; DL-Pipecolinic acid; Hexahydro-2-picolinate; Hexahydro-2-picolinic acid; Hexahydropicolinate; Hexahydropicolinic acid; Homoproline; pipecolate; pipecolic acid; Pipecolic acid free base; Pipecolinate; Pipecolinic acid; piperidine-2-carboxylic acid; Piperolinate; Piperolinic acidH2Amniotic Fluid; Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ003261 PTHR C21H35N9O6 509.2711 NA PeJP NA NA +MJ075548 Landiolol C25H39N3O8 509.273715 NA MeJP NA NA +MJ075549 7,18,19-Trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(12),13-diene-1,21-dione; 19-Ac C30H39NO6 509.277737 NA MeJP NA NA +MJ075550 Zoanthamine; 11-Oxo C30H39NO6 509.277737 NA MeJP NA NA +3344 ACE inhibitor IVGRPRHQG 509.282 MH2+ Inhouse_peptide NA peptide +36 Actin IVGRPRHQG 509.284 MH2+ Inhouse_peptide NA peptide +PJ003262 SLKY C24H39N5O7 509.285 NA PeJP NA NA +PJ003263 LLQH C23H39N7O6 509.2962 NA PeJP NA NA +MJ075551 8,13-Epoxy-1,6,7,9-tetrahydroxy-14-labden-11-one, 7-Ac, 6-(3-dimethylaminopropanoyl) C27H43NO8 509.298867 NA MeJP NA NA +MJ075552 Browniine; O14-Ac C27H43NO8 509.298867 NA MeJP NA NA +MJ075553 Browniine; O6-De-Me, O14-Me, O6-Ac C27H43NO8 509.298867 NA MeJP NA NA +MJ075554 Cevine C27H43NO8 509.298867 NA MeJP NA NA +MJ075555 Delphatine; O6-De-Me, O6-Ac C27H43NO8 509.298867 NA MeJP NA NA +MJ075556 Deltatsine; 14-Ac C27H43NO8 509.298867 NA MeJP NA NA +MJ075557 Germine C27H43NO8 509.298867 NA MeJP NA NA +MJ075558 Lycoctonine; O18-Ac C27H43NO8 509.298867 NA MeJP NA NA +MJ075559 Veracevine C27H43NO8 509.298867 NA MeJP NA NA +C08654 Acetylbrowniine C27H43NO8 509.2989 NA KEGG NA NA +C08715 Tricornine C27H43NO8 509.2989 NA KEGG NA NA +C10807 Germine C27H43NO8 509.2989 NA KEGG NA NA +C10828 Veracevine C27H43NO8 509.2989 NA KEGG NA NA +PJ003264 VVHR C22H39N9O5 509.3074 NA PeJP NA NA +3412 ACE inhibitor LALPP 509.309 ACE inhibitor Inhouse_peptide NA peptide +7669 ACE inhibitor from k-CN (94-98) IAIPP 509.309 antioxidative Inhouse_peptide NA peptide +PJ003265 APPLL C25H43N5O6 509.3214 NA PeJP NA NA +PJ003266 LLKH C24H43N7O5 509.3326 NA PeJP NA NA +MJ075560 Deltatsine; Tri-O-Me C28H47NO7 509.335252 NA MeJP NA NA +MJ075561 Narbomycin C28H47NO7 509.335252 NA MeJP NA NA +C11998 Narbomycin C28H47NO7 509.3353 NA KEGG NA NA +EUR671 Lyso PC 18:0 [M-H-CH3]- C26H54NO7P 509.348142 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR704 Lyso PE (20:0) monoisotopic mass C25H52NO7P 509.348142 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR859 Lyso PE 20:0 monoisotopic mass C25H52NO7P 509.348142 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR671 Lyso PC 18:0 [M-H-CH3]- C26H54NO7P 509.348142 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR704 Lyso PE (20:0) monoisotopic mass C25H52NO7P 509.348142 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR859 Lyso PE 20:0 monoisotopic mass C25H52NO7P 509.348142 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR671 Lyso PC 18:0 [M-H-CH3]- C26H54NO7P 509.348142 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR704 Lyso PE (20:0) monoisotopic mass C25H52NO7P 509.348142 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR859 Lyso PE 20:0 monoisotopic mass C25H52NO7P 509.348142 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR671 Lyso PC 18:0 [M-H-CH3]- C26H54NO7P 509.348142 masses lipides attendues Inhousejuil11 NA NA +EUR704 Lyso PE (20:0) monoisotopic mass C25H52NO7P 509.348142 masses lipides attendues Inhousejuil11 NA NA +EUR859 Lyso PE 20:0 monoisotopic mass C25H52NO7P 509.348142 masses lipides attendues Inhousejuil11 NA NA +HMDB11481 LysoPE(0:0/20:0) C25H52NO7P 509.348145 NA HMDB2010 NA NA +HMDB11511 LysoPE(20:0/0:0) C25H52NO7P 509.348145 NA HMDB2010 NA NA +HMDB12108 LysoPC(17:0) C25H52NO7P 509.348145 NA HMDB2010 NA NA +MJ075562 20-Aminopregnan-3-ol, N-Di-Me, O-?-D-glucopyranoside C29H51NO6 509.371638 NA MeJP NA NA +MJ075563 Amphiasterin C2; 3-Epimer, 6'',7''-dihydro C29H51NO6 509.371638 NA MeJP NA NA +MJ075564 Amphiasterin C2; 6'',7''-Dihydro C29H51NO6 509.371638 NA MeJP NA NA +MJ075565 Niphatoxin A C35H48N3(+) 509.376998 NA MeJP NA NA +HMDB11149 LysoPC(O-18:0) C26H56NO6P 509.384521 NA HMDB2010 NA NA +MJ075566 Rhodopeptin; Rhodopeptin C4 C27H51N5O4 509.394105 NA MeJP NA NA +MJ075567 Disiquonium(1+); Chloride C27H60ClNO3Si 509.403099 NA MeJP NA NA +MJ075568 2-Amino-4-octadecene-1,3-diol, N-Tetradecanoyl C32H63NO3 509.480794 NA MeJP NA NA +C13916 N-(Tetradecanoyl)-sphing-4-enine C32H63NO3 509.4808 NA KEGG NA NA +C13917 Transferred to D02162 C32H63NO3 509.4808 NA KEGG NA NA +HMDB11773 Cer(d18:1/14:0) C32H63NO3 509.480804 NA HMDB2010 NA NA +MJ075569 2,2',3-Tribromo-3',4,4',5-tetrahydroxy-6'-(methoxymethyl)diphenylmethane C15H13Br3O5 509.831311 NA MeJP NA NA +MJ075570 2,2',3-Tribromo-4,5,5',6'-tetrahydroxy-3'-(methoxymethyl)diphenylmethane C15H13Br3O5 509.831311 NA MeJP NA NA +MJ075571 Taurodispacamide A C13H16Br2N6O4S 509.932049 NA MeJP NA NA +MJ075572 (?-Carbonato)dioxodibismuth CBi2O5 509.935339 NA MeJP NA NA +MJ075573 2,3,5,6,7,15-Hexachloro-14-pentadecen-4-ol, O-Sulfate C15H24Cl6O4S 509.952646 NA MeJP NA NA +MJ075574 Lufenuron C17H8Cl2F8N2O3 509.978423 NA MeJP NA NA +C13016 Carumonam sodium C12H12N6O10S2 509.9852 NA KEGG NA NA +C13017 Transferred to D01561 C12H12N6O10S2 509.9852 NA KEGG NA NA +C13018 Transferred to D01562 C12H12N6O10S2 509.9852 NA KEGG NA NA +C13019 Transferred to D01563 C12H12N6O10S2 509.9852 NA KEGG NA NA +C13020 Transferred to D01564 C12H12N6O10S2 509.9852 NA KEGG NA NA +C13021 Transferred to D01565 C12H12N6O10S2 509.9852 NA KEGG NA NA +C13022 Transferred to D01566 C12H12N6O10S2 509.9852 NA KEGG NA NA +C13023 Transferred to D01567 C12H12N6O10S2 509.9852 NA KEGG NA NA +MJ075575 1-Deoxy-1-[6-[[(3-iodophenyl)methyl]amino]-9H-purin-9-yl]-N-methyl-?-D-ribofuranuronamide C18H19IN6O4 510.051246 NA MeJP NA NA +MJ075576 Antibiotic FCRC 57G C25H18O12 510.079826 NA MeJP NA NA +MJ075577 Griseorhodin C; 8-Deoxy C25H18O12 510.079826 NA MeJP NA NA +MJ075578 (1-Thioglucopyranosato-S)(triethylphosphine)gold C12H26AuO5PS 510.090407 NA MeJP NA NA +MJ075579 Leinamycin C22H26N2O6S3 510.095298 NA MeJP NA NA +C15677 Leinamycin C22H26N2O6S3 510.0953 NA KEGG NA NA +MJ075580 1,3-Hexahydroxydiphenoylglucose; ?-D-Pyranose-form, 4',4''-Di-Me ether C22H22O14 510.100955 NA MeJP NA NA +MJ075581 3,3',4',5,5',7,8-Heptahydroxyflavone; 8-Me ether, 3-O-?-D-glucopyranoside C22H22O14 510.100955 NA MeJP NA NA +MJ075582 Cefuroxime; 1-(Acetyloxy)ethyl ester C20H22N4O10S 510.105663 NA MeJP NA NA +C08107 Cefuroxime axetil C20H22N4O10S 510.1057 NA KEGG NA NA +PJ003267 GCCND C16H26N6O9S2 510.1203 NA PeJP NA NA +MJ075583 8,3'''-Bi[4',7-dihydroxyflavanone] C30H22O8 510.131467 NA MeJP NA NA +MJ075584 Aloeemodin dianthrone C30H22O8 510.131467 NA MeJP NA NA +MJ075585 Anhydrophlegmacin-9,10-quinone A2; Bis(demethoxy) C30H22O8 510.131467 NA MeJP NA NA +MJ075586 Diphyllin; Cinnamoyl C30H22O8 510.131467 NA MeJP NA NA +MJ075587 Diphysin; 3,3'-Diepimer, 5,5'-dideoxy C30H22O8 510.131467 NA MeJP NA NA +MJ075588 Diphysin; 3-Epimer, 5,5'-dideoxy C30H22O8 510.131467 NA MeJP NA NA +MJ075589 Emodinbianthrone C30H22O8 510.131467 NA MeJP NA NA +MJ075590 Erythroaphins C30H22O8 510.131467 NA MeJP NA NA +MJ075591 Lophirone A C30H22O8 510.131467 NA MeJP NA NA +MJ075592 Lophirone B C30H22O8 510.131467 NA MeJP NA NA +MJ075593 Lophirone C C30H22O8 510.131467 NA MeJP NA NA +MJ075594 Palmidin B; 7'-Hydroxy C30H22O8 510.131467 NA MeJP NA NA +MJ075595 Penicilliopsin C30H22O8 510.131467 NA MeJP NA NA +MJ075596 ?-Sorigenin; 8-O-[?-D-Xylopyranosyl-(1?6)-?-D-glopyranoside] C23H26O13 510.13734 NA MeJP NA NA +MJ075597 Swertiamarin; 6'-(2,3-Dihydroxybenzoyl) C23H26O13 510.13734 NA MeJP NA NA +PJ003268 DDMM C18H30N4O9S2 510.1454 NA PeJP NA NA +MJ075598 2,5-Dihydroxybenzyl alcohol; 2-O-(2,6-Di-O-benzoyl-?-D-glucopyranoside) C27H26O10 510.152597 NA MeJP NA NA +MJ075599 2,5-Dihydroxybenzyl alcohol; 2-O-(4,6-Di-O-benzoyl-?-D-glucopyranoside) C27H26O10 510.152597 NA MeJP NA NA +MJ075600 5-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1',3-Dibenzoyl, 1,2,4-tri-Ac C27H26O10 510.152597 NA MeJP NA NA +MJ075601 Gyrophoric acid; 2'',4-Di-Me ether, Me ester C27H26O10 510.152597 NA MeJP NA NA +MJ075602 Gyrophoric acid; 2',4-Di-Me ether, Me ester C27H26O10 510.152597 NA MeJP NA NA +MJ075603 Salicin; 1''-O-(2-Hydroxybenzoyl), 2'-benzoyl C27H26O10 510.152597 NA MeJP NA NA +PJ003269 GSCNM C17H30N6O8S2 510.1567 NA PeJP NA NA +PJ003270 DDDF C21H26N4O11 510.1598 NA PeJP NA NA +MJ075604 Camptothecin, O-?-D-Glucopyranoside C26H26N2O9 510.16383 NA MeJP NA NA +PJ003271 CDHH C19H26N8O7S 510.1645 NA PeJP NA NA +MJ075605 2-(3,4-Dihydro-10-hydroxy-9-methoxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-5-yl)-1,8-dihydroxy-6-methyl-9,10-anthraquinone C31H26O7 510.167853 NA MeJP NA NA +MJ075606 Pirbenicillin C24H26N6O5S 510.168538 NA MeJP NA NA +FL63CIGS0001 Plumerubroside C24H30O12 510.17372 131189-52-1 knapsack NA NA +MJ075607 1,5-Bis(3,4-dihydroxyphenyl)-4,5-dihydroxy-1-pentanone, 5-Me ether, 4-O-?-D-glucopyranoside C24H30O12 510.173726 NA MeJP NA NA +MJ075608 3,3',4',5,5',7-Hexahydroxyflavan, 3',5',7-Tri-Me ether, 5-O-?-D-glucopyranoside C24H30O12 510.173726 NA MeJP NA NA +MJ075609 6-Hydroxyloganin; 7-O-Benzoyl C24H30O12 510.173726 NA MeJP NA NA +MJ075610 Harpagide; 6'-O-(4-Hydroxycinnamoyl) C24H30O12 510.173726 NA MeJP NA NA +MJ075611 Harpagide; 8-O-(2-Hydroxycinnamoyl) C24H30O12 510.173726 NA MeJP NA NA +MJ075612 Harpagide; 8-O-(4-Hydroxycinnamoyl) C24H30O12 510.173726 NA MeJP NA NA +MJ075613 Isoligustrosidic acid C24H30O12 510.173726 NA MeJP NA NA +MJ075614 Paeoniflorin; 4''-Methoxy C24H30O12 510.173726 NA MeJP NA NA +MJ075615 Paulownioside; 7-Epimer, 10-cinnamoyl C24H30O12 510.173726 NA MeJP NA NA +MJ075616 Paulownioside; 8-Epimer, 10-cinnamoyl C24H30O12 510.173726 NA MeJP NA NA +MJ075617 Secologanol; 7-O-(4-Hydroxybenzoyl) C24H30O12 510.173726 NA MeJP NA NA +MJ075618 Shanzhiside; 6'-Benzoyl, Me ester C24H30O12 510.173726 NA MeJP NA NA +MJ075619 Syringalactone A C24H30O12 510.173726 NA MeJP NA NA +MJ075620 Syringopicrogenin A; 3''-Hydroxy, 8-O-?-D-glucopyranoside C24H30O12 510.173726 NA MeJP NA NA +MJ075621 Tecomoside; 7-(4-Methoxybenzoyl) C24H30O12 510.173726 NA MeJP NA NA +PJ003272 SSSCQ C17H30N6O10S 510.1744 NA PeJP NA NA +PJ003273 PCEY C22H30N4O8S 510.1785 NA PeJP NA NA +MJ075622 Aglaiastatin; 5a''',N6'''-Didehydro, 7-O-de-Me C30H26N2O6 510.179086 NA MeJP NA NA +PJ003274 TEMM C19H34N4O8S2 510.1818 NA PeJP NA NA +MJ075623 Tobicillin C27H30N2O6S 510.182457 NA MeJP NA NA +MJ075624 1-(4-Hydroxybenzyl)-2,4,7-phenanthrenetriol; 9,10-Dihydro, 4-Me ether, 4'-O-?-D-glucopyranoside C28H30O9 510.188982 NA MeJP NA NA +MJ075625 25,27-Dihydro-4,7-didehydro-7-deoxyphysalin A C28H30O9 510.188982 NA MeJP NA NA +MJ075626 Isophysalin B C28H30O9 510.188982 NA MeJP NA NA +MJ075627 Physalin B C28H30O9 510.188982 NA MeJP NA NA +MJ075628 Physalin C C28H30O9 510.188982 NA MeJP NA NA +MJ075629 Physalin R C28H30O9 510.188982 NA MeJP NA NA +MJ075630 Territrem A C28H30O9 510.188982 NA MeJP NA NA +MJ075631 salin B C28H30O9 510.188982 NA MeJP NA NA +PJ003275 CNQF C21H30N6O7S 510.1897 NA PeJP NA NA +MJ075632 Antibiotic TAN 1030A; N6-(Methoxymethyl) C29H26N4O5 510.190319 NA MeJP NA NA +PJ003276 GSSSSS C17H30N6O12 510.1922 NA PeJP NA NA +PJ003277 GTCCK C18H34N6O7S2 510.1931 NA PeJP NA NA +MJ075633 Ajugol; 6-Epimer, 8-O-?-D-galactopyranoside C21H34O14 510.194855 NA MeJP NA NA +PJ003278 AEEY C22H30N4O10 510.1962 NA PeJP NA NA +PJ003279 VMMM C20H38N4O5S3 510.2005 NA PeJP NA NA +PJ003280 SMHH C20H30N8O6S 510.2009 NA PeJP NA NA +MJ075634 3-(3,5-Dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2,3-dihydro-2-(4-hydroxyphenyl)benzofuran C32H30O6 510.204238 NA MeJP NA NA +MJ075635 5,5',7,7'-Tetrahydroxy-4,8'-biflavan; 5,5'-Di-Me ether C32H30O6 510.204238 NA MeJP NA NA +MJ075636 Estramustine; 17-L-Alanine ester C26H36Cl2N2O4 510.205213 NA MeJP NA NA +PJ003281 SNQY C21H30N6O9 510.2074 NA PeJP NA NA +PJ003282 GGGGTY C21H30N6O9 510.2075 NA PeJP NA NA +MJ075637 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 4-O-?-D-xylopyranoside C25H34O11 510.210111 NA MeJP NA NA +MJ075638 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3-Me ether, 9'-O-?-L-rhamnopyranoside C25H34O11 510.210111 NA MeJP NA NA +MJ075639 8,15-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 8-(2-methylpropenoyl), 15-O-?-D-glucopyranoside C25H34O11 510.210111 NA MeJP NA NA +MJ075640 Gibberellin A1; ?-D-Glucopyranosyl ester C25H34O11 510.210111 NA MeJP NA NA +MJ075641 Gibberellin A20; 2?-O-(?-D-Glucopyranosyloxy) C25H34O11 510.210111 NA MeJP NA NA +MJ075642 Gibberellin A4; 11-O-?-D-Glucopyranosyloxy C25H34O11 510.210111 NA MeJP NA NA +MJ075643 Indaquassin D; 15?-Hydroxy C25H34O11 510.210111 NA MeJP NA NA +MJ075644 Marmin, 4'?-Hydroxy, 6'-O-?-D-glucopyranoside C25H34O11 510.210111 NA MeJP NA NA +MJ075645 Nagilactone A; 1-Deoxy, 2?-hydroxy, 2-O-?-D-glucopyranoside C25H34O11 510.210111 NA MeJP NA NA +MJ075646 Nagilactone A; 1-O-?-D-Glucopyranoside C25H34O11 510.210111 NA MeJP NA NA +MetaCyc03751 gibberellin 2-O-β-D-glucoside [] C25H34O11 510.210112 NA metacyc NA NA +PJ003283 SSSCK C18H34N6O9S 510.2108 NA PeJP NA NA +PJ003284 PTMY C23H34N4O7S 510.2148 NA PeJP NA NA +C15623 GW 409544 C31H30N2O5 510.2155 NA KEGG NA NA +MJ075647 Aspergillic acid, Zn complex C24H38N4O4Zn 510.218452 NA MeJP NA NA +PJ003285 GSPNH C20H30N8O8 510.2187 NA PeJP NA NA +2774 protease HIV 1 inhibitor LEYS 510.221 NA Inhouse_peptide NA peptide +MJ075648 1,2,3,4,9-Pentahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl C29H34O8 510.225368 NA MeJP NA NA +MJ075649 1,6,9-Trihydroxydihydro-?-agarofuran, 6-(3-Furancarbonyl), 9-benzoyl, 1-Ac C29H34O8 510.225368 NA MeJP NA NA +MJ075650 1,6,9-Trihydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 6-benzoyl, 1-Ac C29H34O8 510.225368 NA MeJP NA NA +MJ075651 2,7,8,11-Tetrahydroxy-1,15-isopimaradiene-3,14-dione, 11-Benzoyl, 7-Ac C29H34O8 510.225368 NA MeJP NA NA +MJ075652 4,18-Epoxy-6,8,19-trihydroxy-11,13-clerodadien-15,16-olide, 6-Benzoyl, 19-Ac C29H34O8 510.225368 NA MeJP NA NA +MJ075653 Amarolide; 11-(4-Hydroxycinnamoyl)(E-) C29H34O8 510.225368 NA MeJP NA NA +MJ075654 Angustidienolide C29H34O8 510.225368 NA MeJP NA NA +MJ075655 Nimbin; 28-Aldehyde C29H34O8 510.225368 NA MeJP NA NA +PJ003286 CNKF C22H34N6O6S 510.2261 NA PeJP NA NA +HMDB00579 Deuteroporphyrin IX C30H30N4O4 510.226715 NA HMDB2010 NA NA +HMDB00579 Deuteroporphyrin IX C30H30N4O4 510.22672 http://www.hmdb.ca/metabolites/HMDB00579 HMDB NA NA +HMDB00579 Deuteroporphyrin IX C30H30N4O4 510.22672 HMDB00579 PFEM_hmdb_metabocards_official NA NA +MJ075656 8-Hydroxy-2,6-dimethyl-2-octenoic acid, 8-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester C22H38O13 510.231241 NA MeJP NA NA +PJ003287 SLEY C23H34N4O9 510.2326 NA PeJP NA NA +PJ003288 AHHF C24H30N8O5 510.2339 NA PeJP NA NA +MJ075657 Flordipine C26H33F3N2O5 510.234156 NA MeJP NA NA +MJ075658 Cezomycin; 3-Hydroxy C28H34N2O7 510.236601 NA MeJP NA NA +MJ075659 Manumycin B C28H34N2O7 510.236601 NA MeJP NA NA +PJ003289 SNKY C22H34N6O8 510.2438 NA PeJP NA NA +MJ075660 11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 2,7,9-Tri-Ac C26H38O10 510.246497 NA MeJP NA NA +MJ075661 2,19:4,18:11,16:15,16-Tetraepoxy-3,6,15,19-clerodanetetrol, 19-(2-Methylpropanoyl), 6-Ac C26H38O10 510.246497 NA MeJP NA NA +MJ075662 2,5,9,10,11,20-Hexahydroxy-3-taxen-13-one, 2,9,10-Tri-Ac C26H38O10 510.246497 NA MeJP NA NA +MJ075663 4,18:11,16:15,16-Triepoxy-3,6,15,19-clerodanetetrol, 3,6,19-Tri-Ac C26H38O10 510.246497 NA MeJP NA NA +MJ075664 6,11-Dihydroxy-15-oxo-16-kauren-19-oic acid, ?-D-Glucopyranosyl ester C26H38O10 510.246497 NA MeJP NA NA +MJ075665 6,9-Dihydroxy-15-oxo-16-kauren-19-oic acid, ?-D-Glucopyranosyl ester C26H38O10 510.246497 NA MeJP NA NA +MJ075666 9,11-Dihydroxy-15-oxo-16-kauren-19-oic acid, ?-D-Glucopyranosyl ester C26H38O10 510.246497 NA MeJP NA NA +MJ075667 Farnesin; 15-O-?-D-Glucopyranoside C26H38O10 510.246497 NA MeJP NA NA +MJ075668 Stercuronium(1+); Iodide C26H43IN2 510.247092 NA MeJP NA NA +PJ003290 PTFF C27H34N4O6 510.2479 NA PeJP NA NA +PJ003291 VVMY C24H38N4O6S 510.2512 NA PeJP NA NA +PJ003292 VQQH C21H34N8O7 510.2551 NA PeJP NA NA +MJ075669 2,3-Dihydroxy-6-oxo-24-nor-1,3,5(10),7-friedelatetraene-23,29-dioic acid; 29-Me ester C30H38O7 510.261753 NA MeJP NA NA +MJ075670 3,15-Dihydroxy-7,11,23-trioxolanosta-8,20(22)-dien-26-oic acid, 3,15-Diketone C30H38O7 510.261753 NA MeJP NA NA +MJ075671 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 15-Cinnamoyl C30H38O7 510.261753 NA MeJP NA NA +MJ075672 4,5-Dihydro-9-hydroxy-5-myrtenylatripliciolide; 8-Angeloyl C30H38O7 510.261753 NA MeJP NA NA +MJ075673 7,8-Epoxy-15-hydroxy-3,12,23-trioxo-9(11),20(22)-lanostadien-26-oic acid, 15-Ketone C30H38O7 510.261753 NA MeJP NA NA +MJ075674 8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 11-Benzoyl, 12-Ac C30H38O7 510.261753 NA MeJP NA NA +MJ075675 Azadirone; 6?-Acetoxy, 14?,15?-epoxide C30H38O7 510.261753 NA MeJP NA NA +MJ075676 Bractatin; 8,8a?-Dihydro, 8?-methoxy, 1-Me ether C30H38O7 510.261753 NA MeJP NA NA +MJ075677 Furanoganoderic acid C30H38O7 510.261753 NA MeJP NA NA +MJ075678 Physagulin A C30H38O7 510.261753 NA MeJP NA NA +MJ075679 Pungiolide A; 2',3'-Dihydro C30H38O7 510.261753 NA MeJP NA NA +C18001 Nebramycin factor 5' C19H38N6O10 510.2649 NA KEGG NA NA +MJ075680 Tobramycin; 2'-N-Carbamoyl C19H38N6O10 510.264941 NA MeJP NA NA +MJ075681 Tobramycin; 6''-N-Carbamoyl C19H38N6O10 510.264941 NA MeJP NA NA +MJ075682 Tobramycin; 6''-O-Carbamoyl C19H38N6O10 510.264941 NA MeJP NA NA +MJ075683 Spirost-5-ene-1,3-diol, 1-O-Sulfate C27H42O7S 510.265124 NA MeJP NA NA +PJ003293 AQHR C20H34N10O6 510.2663 NA PeJP NA NA +3746 NA PGAIPG 510.267 ACE inhibitor Inhouse_peptide NA peptide +MJ075684 Alteramide A C29H38N2O6 510.272986 NA MeJP NA NA +MJ075685 Atrasentan C29H38N2O6 510.272986 NA MeJP NA NA +MJ075686 Catacandin; Catacandin A C29H38N2O6 510.272986 NA MeJP NA NA +MJ075687 Catacandin; Catacandin B C29H38N2O6 510.272986 NA MeJP NA NA +MJ075688 Maltophilin C29H38N2O6 510.272986 NA MeJP NA NA +MJ075689 Sarcodictyin A; Et ester analogue C29H38N2O6 510.272986 NA MeJP NA NA +PJ003294 LLEH C23H38N6O7 510.2802 NA PeJP NA NA +MJ075690 2,3,14,20,22,25-Hexahydroxy-6-oxocholest-7-en-26-oic acid C27H42O9 510.282882 NA MeJP NA NA +MJ075691 4,5-Epoxy-1(10),11(13)-germacradiene-9,12,14,15-tetrol, 14-(3-Hydroxy-2-methylbutanoyl), 9-(2-methylbutanoyl), 12-Ac C27H42O9 510.282882 NA MeJP NA NA +MJ075692 4,5-Epoxy-1(10),11(13)-germacradiene-9,12,14,15-tetrol, 14-(3-Hydroxy-2-methylbutanoyl), 9-(3-methylbutanoyl), 12-Ac C27H42O9 510.282882 NA MeJP NA NA +MJ075693 Neohumidin C27H42O9 510.282882 NA MeJP NA NA +MJ075694 Pleuromutilin; O1'-?-D-Xylopyranoside C27H42O9 510.282882 NA MeJP NA NA +MJ075695 Soraphen A; 12,13-Dihydro, 13?-hydroxy,10,11-bis-O-de-Me C27H42O9 510.282882 NA MeJP NA NA +MJ075696 Spirost-25(27)-ene-1,2,3,4,5,6,7-heptol C27H42O9 510.282882 NA MeJP NA NA +PJ003295 VVFF C28H38N4O5 510.2842 NA PeJP NA NA +PJ003296 AAPPR C22H38N8O6 510.2915 NA PeJP NA NA +MJ075697 Neothiobinupharidine; 6'-Hydroxy C30H42N2O3S 510.291613 NA MeJP NA NA +MJ075698 Neothiobinupharidine; 6-Hydroxy C30H42N2O3S 510.291613 NA MeJP NA NA +MJ075699 Neothiobinupharidine; S-Oxide C30H42N2O3S 510.291613 NA MeJP NA NA +MJ075700 Thiobinupharidine; 1,1'-Diepimer, S-oxide (?-) C30H42N2O3S 510.291613 NA MeJP NA NA +MJ075701 Thiobinupharidine; 1,1'-Diepimer, S-oxide (?-) C30H42N2O3S 510.291613 NA MeJP NA NA +MJ075702 Thiobinupharidine; 6'-Hydroxy C30H42N2O3S 510.291613 NA MeJP NA NA +MJ075703 Thiobinupharidine; 6-Hydroxy C30H42N2O3S 510.291613 NA MeJP NA NA +MJ075704 Thiobinupharidine; S-Oxide (?-) C30H42N2O3S 510.291613 NA MeJP NA NA +MJ075705 Thionuphlutine B; 6-Hydroxy C30H42N2O3S 510.291613 NA MeJP NA NA +MJ075706 Thionuphlutine B; ?-S-Oxide C30H42N2O3S 510.291613 NA MeJP NA NA +MJ075707 Thionuphlutine B; ?-S-Oxide C30H42N2O3S 510.291613 NA MeJP NA NA +MJ075708 Deacylbengazole C; O10-Tridecanoyl C26H42N2O8 510.294116 NA MeJP NA NA +MJ075709 12,14-Labdadiene-1,8,18-triol, 18-(4-Hydroxy-E-cinnamoyl), 1-Ac C31H42O6 510.298139 NA MeJP NA NA +MJ075710 12,14-Labdadiene-1,8,18-triol, 18-(4-Hydroxy-Z-cinnamoyl), 1-Ac C31H42O6 510.298139 NA MeJP NA NA +MJ075711 Helvolic acid; O6-Deacetoxy C31H42O6 510.298139 NA MeJP NA NA +MJ075712 Nemorosinic acid B C31H42O6 510.298139 NA MeJP NA NA +MJ075713 Usambarensine; 6',10-Dimethoxy, 1'S,2,3,4-tetrahydro, N2'-Me C32H38N4O2 510.299476 NA MeJP NA NA +PJ003297 AKHR C21H38N10O5 510.3027 NA PeJP NA NA +MJ075714 N-(1-Oxo-2-propylpentyl)-L-?-aspartyl-N-[4-[(aminoiminomethyl)amino]-1-formylbutyl]-L-prolinamide; Me ester C24H42N6O6 510.316583 NA MeJP NA NA +PJ003298 GPPLK C24H42N6O6 510.3166 NA PeJP NA NA +MJ075715 2,3,11,14,20,22,24-Heptahydroxyergost-7-en-6-one C28H46O8 510.319268 NA MeJP NA NA +MJ075716 2,3,11,14,20,22,25-Heptahydroxyergost-7-en-6-one C28H46O8 510.319268 NA MeJP NA NA +MJ075717 2,3,14,20,22,24,25-Heptahydroxyergost-7-en-6-one C28H46O8 510.319268 NA MeJP NA NA +MJ075718 2,3,5,14,20,22,25-Heptahydroxyergost-7-en-6-one C28H46O8 510.319268 NA MeJP NA NA +MJ075719 2,3,5,14,20,22,26-Heptahydroxyergost-7-en-6-one C28H46O8 510.319268 NA MeJP NA NA +MJ075720 3,14-Dihydroxypregnan-20-one, 3-O-(3-O-Methyl-?-D-glucopyranoside) C28H46O8 510.319268 NA MeJP NA NA +MJ075721 Pregn-5-ene-3,12,14,17,20-pentol, 3-O-?-D-Cymaropyranoside C28H46O8 510.319268 NA MeJP NA NA +MJ075722 Pregnane-3,8,12,14,17,20-hexol, 12-(3-Methylbutanoyl), 20-Ac C28H46O8 510.319268 NA MeJP NA NA +MJ075723 Pregnane-3,8,12,14,17,20-hexol, 20-(2-Methylbutanoyl), 12-Ac C28H46O8 510.319268 NA MeJP NA NA +MJ075724 Stemodin; 16-O-(6-Acetyl-?-D-glucopyranoside) C28H46O8 510.319268 NA MeJP NA NA +PJ003299 VKKH C23H42N8O5 510.3278 NA PeJP NA NA +MJ075725 24,25-Epoxy-23-hydroxy-11,13(17)-protostadiene-3,16-dione, Ac C32H46O5 510.334524 NA MeJP NA NA +MJ075726 3,15-Dihydroxylanosta-7,9(11),24-trien-26-oic acid, 3-Ketone, 15-Ac C32H46O5 510.334524 NA MeJP NA NA +MJ075727 3,18-Dihydroxy-11-oxo-12-oleanen-30-oic acid, 30?18 Lactone, 3-Ac C32H46O5 510.334524 NA MeJP NA NA +MJ075728 Leptofuranin A; 24-Aldehyde C32H46O5 510.334524 NA MeJP NA NA +MJ075729 Malaysic acid C29H50O7 510.355653 NA MeJP NA NA +MJ075730 17,29-Tritriacontadiene-2,4,32-triyne-1,6,31-triol; 16-Oxo C33H50O4 510.37091 NA MeJP NA NA +MJ075731 Buxetine C32H50N2O3 510.382143 NA MeJP NA NA +MJ075732 8,13-Epoxy-14,15,16,19-labdanetetrol, 19-Decanoyl C30H54O6 510.392039 NA MeJP NA NA +MJ075733 Stellettazole B C30H51N6O(+) 510.40461 NA MeJP NA NA +MJ075734 20(29)-Lupen-3-ol, 3-Oxobutanoyl C34H54O3 510.407295 NA MeJP NA NA +MJ075735 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-Hexadecanoyl C34H54O3 510.407295 NA MeJP NA NA +MJ075736 Plakinamine C C33H54N2O2 510.418528 NA MeJP NA NA +HMDB07009 DG(14:0/14:1(9Z)/0:0) C31H58O5 510.428436 NA HMDB2010 NA NA +HMDB07037 DG(14:1(9Z)/14:0/0:0) C31H58O5 510.428436 NA HMDB2010 NA NA +MJ075737 Thonzonium(1+) C32H55N4O(+) 510.429762 NA MeJP NA NA +MJ075738 12-Ursen-3-ol, O-(3-Methylbutanoyl) C35H58O2 510.443681 NA MeJP NA NA +MJ075739 20(29)-Lupen-3-ol, 3-Methylbutanoyl C35H58O2 510.443681 NA MeJP NA NA +MJ075740 20(30)-Taraxasten-3-ol, 3-Methylbutanoyl C35H58O2 510.443681 NA MeJP NA NA +MJ075741 23-Ethyl-24-methylenecycloartan-3-ol, Ac C35H58O2 510.443681 NA MeJP NA NA +MJ075742 Cyclopodmenol, Ac C35H58O2 510.443681 NA MeJP NA NA +MJ075743 Tryptamine; Nb-Tetracosanoyl C34H58N2O 510.454914 NA MeJP NA NA +MJ075744 14,15-Dimethyltriacontanedioic acid C32H62O4 510.46481 NA MeJP NA NA +MJ075745 15,16-Dimethyltriacontanedioic acid C32H62O4 510.46481 NA MeJP NA NA +MJ075746 15,19-Hexatriacontadiene-1,11-diyn-3-ol C36H62O 510.480066 NA MeJP NA NA +MJ075747 Budmunchiamine K; N9-De-Me, 6'-hydroxy C30H62N4O2 510.487277 NA MeJP NA NA +MJ075748 12,21-Tetratriacontanediol C34H70O2 510.537581 NA MeJP NA NA +MJ075749 6,8-Tetratriacontanediol C34H70O2 510.537581 NA MeJP NA NA +MJ075750 7,9-Tetratriacontanediol C34H70O2 510.537581 NA MeJP NA NA +MJ075751 4-[[4-Formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]-2-pyridinyl]azo]-1,3-benzenedisulfonic acid C14H14N3O12PS2 510.97565 NA MeJP NA NA +C13745 Pyridoxalphosphate-6-azophenyl-2',4'-disulfonic acid C14H14N3O12PS2 510.9757 NA KEGG NA NA +MJ075752 Cefmenoxime C16H17N9O5S3 511.051476 NA MeJP NA NA +C16429 trans-Zeatin riboside diphosphate C15H23N5O11P2 511.0869 NA KEGG NA NA +MetaCyc03752 trans-zeatin riboside diphosphate [ZDP;zeatin diphosphate;tZRDP;] C15H23N5O11P2 511.08693 NA metacyc NA NA +PJ003300 GCCDD C16H25N5O10S2 511.1043 NA PeJP NA NA +C15974 3-Methyl-1-hydroxybutyl-ThPP C17H29N4O8P2S 511.1181 NA KEGG NA NA +C15975 [Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] C13H24NO2S2R 511.1181 NA KEGG NA NA +C15978 2-Methyl-1-hydroxybutyl-ThPP C17H29N4O8P2S 511.1181 NA KEGG NA NA +C15979 [Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] C13H24NO2S2R 511.1181 NA KEGG NA NA +HMDB06865 3-Methyl-1-hydroxybutyl-ThPP C17H29N4O8P2S 511.11813 http://www.hmdb.ca/metabolites/HMDB06865 HMDB NA NA +HMDB06865 3-Methyl-1-hydroxybutyl-ThPP C17H29N4O8P2S 511.11813 HMDB06865 PFEM_hmdb_metabocards_official NA NA +HMDB06865 3-Methyl-1-hydroxybutyl-ThPP C17H29N4O8P2S 511.118134 NA HMDB2010 NA NA +HMDB12310 2-Methyl-1-hydroxybutyl-ThPP C17H29N4O8P2S 511.118134 NA HMDB2010 NA NA +PJ003301 SPCCC C17H29N5O7S3 511.1229 NA PeJP NA NA +MJ075753 Indocarbazostatin C28H21N3O7 511.13795 NA MeJP NA NA +PJ003302 GSCDM C17H29N5O9S2 511.1407 NA PeJP NA NA +MJ075754 6-(2,6-Dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one C26H27Cl2N5O2 511.15418 NA MeJP NA NA +MJ075755 Nikkomycin X; 4imidazole-Carboxylic acid C20H25N5O11 511.155056 NA MeJP NA NA +PJ003303 TCCW C21H29N5O6S2 511.1559 NA PeJP NA NA +PJ003304 SSSCE C17H29N5O11S 511.1584 NA PeJP NA NA +PJ003305 CQMM C18H33N5O6S3 511.1593 NA PeJP NA NA +MJ075756 Hygromycin A C23H29NO12 511.168975 NA MeJP NA NA +C17579 Hygromycin A C23H29NO12 511.169 NA KEGG NA NA +PJ003306 CCMR C17H33N7O5S3 511.1706 NA PeJP NA NA +PJ003307 CNEF C21H29N5O8S 511.1737 NA PeJP NA NA +PJ003308 GSSMM C18H33N5O8S2 511.1771 NA PeJP NA NA +MJ075757 Daunomycin; 11-Deoxy C27H29NO9 511.184231 NA MeJP NA NA +MJ075758 Ethyl O-[N-(p-carboxyphenyl)carbamoyl]mycophenolate C27H29NO9 511.184231 NA MeJP NA NA +MJ075759 Stephavanine; 4'-Me ether C27H29NO9 511.184231 NA MeJP NA NA +PJ003309 GCFW C25H29N5O5S 511.189 NA PeJP NA NA +HMDB02235 O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol C20H33NO14 511.19009 http://www.hmdb.ca/metabolites/HMDB02235 HMDB NA NA +HMDB02276 O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol C20H33NO14 511.19009 http://www.hmdb.ca/metabolites/HMDB02276 HMDB NA NA +HMDB02235 O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol C20H33NO14 511.19009 HMDB02235 PFEM_hmdb_metabocards_official NA NA +HMDB02276 O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol C20H33NO14 511.19009 HMDB02276 PFEM_hmdb_metabocards_official NA NA +HMDB02235 O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol C20H33NO14 511.190094 NA HMDB2010 NA NA +HMDB02276 O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol C20H33NO14 511.190094 NA HMDB2010 NA NA +MJ075760 Dapiramicin A C21H29N5O10 511.191442 NA MeJP NA NA +PJ003310 SNEY C21H29N5O10 511.1915 NA PeJP NA NA +PJ003311 SSSTM C18H33N5O10S 511.1948 NA PeJP NA NA +PJ003312 CKMM C19H37N5O5S3 511.1957 NA PeJP NA NA +PJ003313 GSPDH C20H29N7O9 511.2027 NA PeJP NA NA +MJ075761 [2-[(9-Methoxy-7-methyl-5-oxo-5H-furo[3,2-g][1]benzopyran-4-yl)oxy]ethyl]trimethylammonium(1+); Theophylline salt C25H29N5O7 511.206698 NA MeJP NA NA +PJ003314 GSYW C25H29N5O7 511.2067 NA PeJP NA NA +PJ003315 AQMY C22H33N5O7S 511.2101 NA PeJP NA NA +PJ003316 NNQH C19H29N9O8 511.2139 NA PeJP NA NA +PJ003317 GGGGGAH C19H29N9O8 511.214 NA PeJP NA NA +MJ075762 Rhodomycin B; 1,12-Dideoxy C28H33NO8 511.220617 NA MeJP NA NA +PJ003318 ACRY C21H33N7O6S 511.2213 NA PeJP NA NA +C11629 omega-Carboxy-N-acetyl-LTE4 C25H37NO8S 511.224 NA KEGG NA NA +PJ003319 SDKY C22H33N5O9 511.2278 NA PeJP NA NA +PJ003320 SPPPD C22H33N5O9 511.2279 NA PeJP NA NA +MJ075763 Verruculogen C27H33N3O7 511.23185 NA MeJP NA NA +PJ003321 PCHR C20H33N9O5S 511.2326 NA PeJP NA NA +PJ003322 SSRY C21H33N7O8 511.2391 NA PeJP NA NA +MJ075764 Aureofuscin C25H37NO10 511.241746 NA MeJP NA NA +MJ075765 ?-Casorphin C26H33N5O6 511.243083 NA MeJP NA NA +PJ003323 AQFF C26H33N5O6 511.2431 NA PeJP NA NA +PJ003324 AKMY C23H37N5O6S 511.2465 NA PeJP NA NA +MJ075766 Upidosin C31H33N3O4 511.247106 NA MeJP NA NA +PJ003325 AEHR C20H33N9O7 511.2503 NA PeJP NA NA +PJ003326 GLHW C25H33N7O5 511.2543 NA PeJP NA NA +MJ075767 3,11,12,14-Tetrahydroxypregn-5-en-20-one, 11-(3-Pyridinecarbonyl), 12-Ac C29H37NO7 511.257002 NA MeJP NA NA +MJ075768 Tubacetine C29H37NO7 511.257002 NA MeJP NA NA +PJ003327 PKMH C22H37N7O5S 511.2577 NA PeJP NA NA +PJ003328 TTKY C23H37N5O8 511.2642 NA PeJP NA NA +2914 neuropeptide from eyestalk of Macrobrachium rosenb NRNFLRFG 511.2644 MH2+ Inhouse_peptide NA peptide +EUR916 Lyso PE 22:6 [M-H-CH3]- C27H44NO7P 511.269892 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR916 Lyso PE 22:6 [M-H-CH3]- C27H44NO7P 511.269892 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR916 Lyso PE 22:6 [M-H-CH3]- C27H44NO7P 511.269892 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR916 Lyso PE 22:6 [M-H-CH3]- C27H44NO7P 511.269892 masses lipides attendues Inhousejuil11 NA NA +PJ003329 VKEH C22H37N7O7 511.2755 NA PeJP NA NA +MJ075769 Antho-K amide C27H37N5O5 511.279469 NA MeJP NA NA +PJ003330 PPLW C27H37N5O5 511.2795 NA PeJP NA NA +2770 NA WQPPRARI 511.282 MH2+ Inhouse_peptide NA peptide +PJ003331 SLHR C21H37N9O6 511.2867 NA PeJP NA NA +EUR732 Lyso PC 14:1 [M+FA-H]- C22H44NO7P 511.290422 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR732 Lyso PC 14:1 [M+FA-H]- C22H44NO7P 511.290422 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR732 Lyso PC 14:1 [M+FA-H]- C22H44NO7P 511.290422 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR732 Lyso PC 14:1 [M+FA-H]- C22H44NO7P 511.290422 masses lipides attendues Inhousejuil11 NA NA +EUR833 Lyso PE 16:1 [M-H+acetate]- C21H42NO7P 511.290992 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR833 Lyso PE 16:1 [M-H+acetate]- C21H42NO7P 511.290992 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR833 Lyso PE 16:1 [M-H+acetate]- C21H42NO7P 511.290992 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR833 Lyso PE 16:1 [M-H+acetate]- C21H42NO7P 511.290992 masses lipides attendues Inhousejuil11 NA NA +MJ075770 Cyclozoanthamine C30H41NO6 511.293388 NA MeJP NA NA +MJ075771 Cytochalasin O; 6,18-Diepimer, 17-deoxo C30H41NO6 511.293388 NA MeJP NA NA +MJ075772 Zoanthamine; 11?-Hydroxy C30H41NO6 511.293388 NA MeJP NA NA +MJ075773 Zoanthamine; 19-Epimer, 26-hydroxy C30H41NO6 511.293388 NA MeJP NA NA +MJ075774 Zoanthamine; 26-Hydroxy C30H41NO6 511.293388 NA MeJP NA NA +PJ003332 SPPVL C24H41N5O7 511.3006 NA PeJP NA NA +MJ075775 Antibiotic WA 3854; Antibiotic WA 3854B C29H41N3O5 511.304621 NA MeJP NA NA +MJ075776 Leucascandrolide B C27H45NO8 511.314517 NA MeJP NA NA +MJ075777 Tumonoic acid C C27H45NO8 511.314517 NA MeJP NA NA +PJ003333 GPLLL C25H45N5O6 511.337 NA PeJP NA NA +MJ075778 Daphmacrine C32H49NO4 511.366159 NA MeJP NA NA +MJ075779 Naboctate C33H53NO3 511.402544 NA MeJP NA NA +HMDB11759 Cer(d18:0/14:0) C32H65NO3 511.49646 NA HMDB2010 NA NA +MJ075780 Spongiadioxin A C12H4Br4O3 511.689394 NA MeJP NA NA +MJ075781 2',3,4',5-Tetrabromo-2-hydroxydiphenyl ether; Me ether C13H8Br4O2 511.72578 NA MeJP NA NA +MJ075782 2,2',3,4,5-Pentabromo-6-hydroxydiphenyl ether; 4-Debromo, Me ether C13H8Br4O2 511.72578 NA MeJP NA NA +MJ075783 2,2',4,4'-Tetrabromo-6-hydroxydiphenyl ether; Me ether C13H8Br4O2 511.72578 NA MeJP NA NA +MJ075784 Bis(3,5-dibromo-4-hydroxyphenyl)methane C13H8Br4O2 511.72578 NA MeJP NA NA +2909 neuropeptide from eyestalk of Macrobrachium rosenb DRNFLRFG 511.7564 MH2+ Inhouse_peptide NA peptide +MJ075785 2,4',5-Tribromo-2',3',6-trihydroxy-3,6'-bis(hydroxymethyl)diphenyl ether C14H11Br3O6 511.810576 NA MeJP NA NA +MJ075786 Dimecolonium(2+); Diiodide C14H30I2N2O2 512.039665 NA MeJP NA NA +C08102 Cefamandole nafate C19H17N6O6S2 512.0549 NA KEGG NA NA +C15359 6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate C23H30Br2O3 512.0562 NA KEGG NA NA +MJ075787 Diphlorethohydroxycarmalol C24H16O13 512.05909 NA MeJP NA NA +FL3FAACSS001 Vitexin 7-O-sulfate C21H20O13S 512.06246 - knapsack NA NA +FL3FAACSS002 Isovitexin 7-O-sulfate C21H20O13S 512.06246 - knapsack NA NA +FL5FA9GSS001 3,5,7-Trihydroxyflavone 3-glucoside-8-sulfate;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-8-sulfonic acid C21H20O13S 512.06246 776278-57-0 knapsack NA NA +MJ075788 3,5,7-Trihydroxyflavone-8-sulfonic acid; 3-O-?-D-Glucopyranoside C21H20O13S 512.062461 NA MeJP NA NA +MJ075789 4',5,7-Trihydroxyflavone; 7-O-?-D-Galactopyranoside, O-sulfate C21H20O13S 512.062461 NA MeJP NA NA +MJ075790 Afzelin; O''-Sulfate C21H20O13S 512.062461 NA MeJP NA NA +MJ075791 Cosmosiin; 6''-Sulfate C21H20O13S 512.062461 NA MeJP NA NA +MJ075792 Isovitexin; 7-O-Sulfate C21H20O13S 512.062461 NA MeJP NA NA +MJ075793 Vitexin; 7-O-Sulfate C21H20O13S 512.062461 NA MeJP NA NA +MJ075794 Napyradiomycin C1; ?17(19)Isomer, 16-chloro C25H27Cl3O5 512.092407 NA MeJP NA NA +MJ075795 Methyl 10,10a-dihydro-3-[5-hydroxy-4-(methoxycarbonyl)naphtho[1,2-b]furan-2-yl]-5,10-dioxo-4H-naphtho[2,3-b]pyran-4a(5H)-carboxylate C29H20O9 512.110732 NA MeJP NA NA +MJ075796 Decamethonium(2+); Diiodide C16H38I2N2 512.112436 NA MeJP NA NA +MJ075797 5-(Hydroxymethyl)-1,2,3-benzenetriol; 1'-O-(3,4,5-Trihydroxybenzoyl), 2-O-(6-O-acetyl-?-D-glucopyranoside) C22H24O14 512.116605 NA MeJP NA NA +PJ003334 GCCCQ C16H28N6O7S3 512.1182 NA PeJP NA NA +MJ075798 3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4'-Methylene, 4-Me ether, 5-O-?-D-glucopyranoside C26H24O11 512.131861 NA MeJP NA NA +MJ075799 3-Hydroxyumbilicaric acid; 3-Me ether C26H24O11 512.131861 NA MeJP NA NA +MJ075800 Diphyllin; O-?-D-Apiofuranoside C26H24O11 512.131861 NA MeJP NA NA +MJ075801 Diphyllin; O-D-Xylopyranoside C26H24O11 512.131861 NA MeJP NA NA +MJ075802 Gemixanthone A C26H24O11 512.131861 NA MeJP NA NA +MJ075803 Hiascic acid; 4,5-Di-Me ether C26H24O11 512.131861 NA MeJP NA NA +PJ003335 SSCCN C16H28N6O9S2 512.1359 NA PeJP NA NA +MJ075804 Anziaic acid; 3,5-Dichloro, 2'-Me ether C25H30Cl2O7 512.136858 NA MeJP NA NA +PJ003336 CEMM C18H32N4O7S3 512.1433 NA PeJP NA NA +MJ075805 6-Chloro-2,8-epoxy-3,9,11,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 12-Ketone, 9-(hydroxyacetyl), 11-Ac C24H29ClO10 512.144924 NA MeJP NA NA +MJ075806 3,4-Dihydro-6-hydroxy-2-[5-hydroxy-4-carboxynaphtho[1,2-b]furan-2-yl]-2-methyl-2H-naphtho[1,2-b]pyran-5-carboxylic acid; Di-Me ester C30H24O8 512.147117 NA MeJP NA NA +MJ075807 Chrysoaphin fb C30H24O8 512.147117 NA MeJP NA NA +MJ075808 Gnetuhainin F C30H24O8 512.147117 NA MeJP NA NA +MJ075809 Lophirone C; 2',3'-Dihydro C30H24O8 512.147117 NA MeJP NA NA +MJ075810 Lophirone H C30H24O8 512.147117 NA MeJP NA NA +MJ075811 Ventilein A C30H24O8 512.147117 NA MeJP NA NA +MJ075812 3-(3,4-Dihydroxyphenyl)-1,2-propanediol, 3'-Me ether, 2-O-[(3,4,5-trihydroxybenzoyl)(?6)-?-D-glucopyranoside] C23H28O13 512.15299 NA MeJP NA NA +MJ075813 7-Hydroxy-2H-1-benzopyran-2-one; O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C23H28O13 512.15299 NA MeJP NA NA +MJ075814 Catalpol; 10-(4-Hydroxy-3-methoxybenzoyl) C23H28O13 512.15299 NA MeJP NA NA +MJ075815 Catalpol; 6-(4-Hydroxy-3-methoxybenzoyl) C23H28O13 512.15299 NA MeJP NA NA +MJ075816 Plumieride; 13-Ac C23H28O13 512.15299 NA MeJP NA NA +PJ003337 GCCCK C17H32N6O6S3 512.1546 NA PeJP NA NA +PJ003338 CDEF C21H28N4O9S 512.1577 NA PeJP NA NA +MJ075817 2-[[[4-[(2,4-Diamino-6-pteridinyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-7-yl]carbonyl]amino]hexanedioic acid C22H24N8O5S 512.159036 NA MeJP NA NA +MJ075818 Pancratistatin, 7-Deoxy, O1-(2-acetamido-2-deoxy-?-D-glucopyranoside) C22H28N2O12 512.164224 NA MeJP NA NA +FL5FABGP0001 6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside C27H28O10 512.16824 143601-07-4 knapsack NA NA +MJ075819 Citrusinol; 4'-Me ether, 3-O-?-L-rhamnopyranoside C27H28O10 512.168247 NA MeJP NA NA +PJ003339 CNNY C20H28N6O8S 512.1689 NA PeJP NA NA +PJ003340 GGCNY C20H28N6O8S 512.169 NA PeJP NA NA +PJ003341 SDEY C21H28N4O11 512.1755 NA PeJP NA NA +PJ003342 PCMY C22H32N4O6S2 512.1763 NA PeJP NA NA +MJ075820 Lyalosidic acid C26H28N2O9 512.17948 NA MeJP NA NA +MJ075821 Nauclecoside C26H28N2O9 512.17948 NA MeJP NA NA +MJ075822 Ophiorine A C26H28N2O9 512.17948 NA MeJP NA NA +MJ075823 Pumiloside C26H28N2O9 512.17948 NA MeJP NA NA +C16723 Pumiloside C26H28N2O9 512.1795 NA KEGG NA NA +PJ003343 TMMM C19H36N4O6S3 512.1797 NA PeJP NA NA +MJ075824 6-Chloro-4,8-epoxy-2,9,14,17-tetrahydroxy-5(16),11-briaradien-18,7-olide; 2-Propanoyl, 14-Ac C25H33ClO9 512.18131 NA MeJP NA NA +MJ075825 Punaglandin 3; 10?,11?-Epoxide C25H33ClO9 512.18131 NA MeJP NA NA +MJ075826 Palodesangrens; Palodesangren E C31H28O7 512.183503 NA MeJP NA NA +MJ075827 Sorocenol B C31H28O7 512.183503 NA MeJP NA NA +MJ075828 Ajugol; 6-O-(3,4-Dimethoxybenzoyl) C24H32O12 512.189376 NA MeJP NA NA +PJ003344 AEMY C22H32N4O8S 512.1941 NA PeJP NA NA +MJ075829 Clausenamine A C30H28N2O6 512.194736 NA MeJP NA NA +PJ003345 NNEH C19H28N8O9 512.1979 NA PeJP NA NA +PJ003346 GGNEH C19H28N8O9 512.198 NA PeJP NA NA +MJ075830 25,26-Dihydrophysalin C C28H32O9 512.204632 NA MeJP NA NA +MJ075831 ?-Alectoronic acid C28H32O9 512.204632 NA MeJP NA NA +MJ075832 Alectoronic acid C28H32O9 512.204632 NA MeJP NA NA +MJ075833 Bisvertinolone C28H32O9 512.204632 NA MeJP NA NA +MJ075834 Carapolide B C28H32O9 512.204632 NA MeJP NA NA +MJ075835 Physalin C; 25?,27-Dihydro C28H32O9 512.204632 NA MeJP NA NA +MJ075836 Physalin L; 7-Deoxy C28H32O9 512.204632 NA MeJP NA NA +MJ075837 Territrem C C28H32O9 512.204632 NA MeJP NA NA +MJ075838 Walsuranolide; 11?-Acetoxy C28H32O9 512.204632 NA MeJP NA NA +PJ003347 PEMH C21H32N6O7S 512.2053 NA PeJP NA NA +MJ075839 Staurosporine; 7-Methoxy, 4'-N-hydroxy C29H28N4O5 512.20597 NA MeJP NA NA +PJ003348 PCFF C26H32N4O5S 512.2094 NA PeJP NA NA +PJ003349 TTEY C22H32N4O10 512.2119 NA PeJP NA NA +PJ003350 CLMF C23H36N4O5S2 512.2127 NA PeJP NA NA +PJ003351 GNHW C23H28N8O6 512.2132 NA PeJP NA NA +3250 beta-casomorphin YPSF 512.215 celiac toxic Inhouse_peptide NA peptide +MJ075840 Aplidite A C27H32N2O8 512.215866 NA MeJP NA NA +MJ075841 Correantoside C27H32N2O8 512.215866 NA MeJP NA NA +MJ075842 Lobatamide A C27H32N2O8 512.215866 NA MeJP NA NA +MJ075843 Vomilenine; O-?-D-Glucopyranoside C27H32N2O8 512.215866 NA MeJP NA NA +MetaCyc03753 raucaffricine [] C27H32N2O8 512.215866 31282-07-2 metacyc NA NA +C02074 Raucaffricine C27H32N2O8 512.2159 NA KEGG NA NA +C02075 Retinyl ester C21H29O2R 512.2159 NA KEGG NA NA +MJ075844 Homoisosocotrin-4'-ol C32H32O6 512.219888 NA MeJP NA NA +MJ075845 Betamethasone; 21-(2-Hydroxybenzoyl) C29H33FO7 512.221031 NA MeJP NA NA +PJ003352 VEEH C21H32N6O9 512.2231 NA PeJP NA NA +MJ075846 Amareloside C25H36O11 512.225761 NA MeJP NA NA +MJ075847 Monodontamide B C26H32N4O7 512.227099 NA MeJP NA NA +PJ003353 APYY C26H32N4O7 512.2271 NA PeJP NA NA +PJ003354 SLMY C23H36N4O7S 512.2305 NA PeJP NA NA +MJ075848 Petromurin A C31H32N2O5 512.231122 NA MeJP NA NA +MJ075849 Ribostamycin; N3-Carboxymethyl C19H36N4O12 512.232972 NA MeJP NA NA +PJ003355 NDKH C20H32N8O8 512.2343 NA PeJP NA NA +PJ003356 PPNW C25H32N6O6 512.2384 NA PeJP NA NA +C14511 Bisphenol A glycidylmethacrylate C29H36O8 512.241 NA KEGG NA NA +MJ075850 3,4-Epoxy-6,8,11-trihydroxy-13-cleroden-15,16-olide, 6-Benzoyl, 11-Ac C29H36O8 512.241018 NA MeJP NA NA +MJ075851 4,18-Epoxy-6,8,19-trihydroxy-13-cleroden-15,16-olide, 6-Benzoyl, 19-Ac C29H36O8 512.241018 NA MeJP NA NA +MJ075852 4,18:11,16:15,16-Triepoxy-6,7,13-trihydroxy-1-clerodanone, 6-Cinnamoyl (Z-) C29H36O8 512.241018 NA MeJP NA NA +MJ075853 4,18:11,16:15,16-Triepoxy-6,7,13-trihydroxy-1-clerodanone, 6-Cinnamoyl(E-) C29H36O8 512.241018 NA MeJP NA NA +MJ075854 8,13-Epoxy-6,11-dihydroxy-3-oxo-15,16-clerodanolide, 6-Benzoyl, 11-Ac C29H36O8 512.241018 NA MeJP NA NA +MJ075855 Angustinolide C29H36O8 512.241018 NA MeJP NA NA +MJ075856 Arisugacin E; 12a-Hydroxy, 3-Ac C29H36O8 512.241018 NA MeJP NA NA +MJ075857 Elaeodendroside D; 16,17-Didehydro C29H36O8 512.241018 NA MeJP NA NA +MJ075858 Naphthablin C29H36O8 512.241018 NA MeJP NA NA +MJ075859 Nimbin; 28-Alcohol C29H36O8 512.241018 NA MeJP NA NA +MJ075860 Prednisolone; 21-(6-Carboxy-3-cyclohexenecarboxylate) C29H36O8 512.241018 NA MeJP NA NA +MJ075861 Roridin H C29H36O8 512.241018 NA MeJP NA NA +MJ075862 Swietenolide; 6-Deoxy, Ac C29H36O8 512.241018 NA MeJP NA NA +PJ003357 SNHR C19H32N10O7 512.2456 NA PeJP NA NA +MJ075863 Abamagenin C28H42Cl2O4 512.246015 NA MeJP NA NA +MJ075864 19-Iodocholest-5-en-3-ol C27H45IO 512.251509 NA MeJP NA NA +MJ075865 Antibiotic TMC 1A C28H36N2O7 512.252251 NA MeJP NA NA +MJ075866 Antibiotic TMC 1B C28H36N2O7 512.252251 NA MeJP NA NA +MJ075867 Sarcodictyin A; 1?-Hydroxy, ?2-isomer C28H36N2O7 512.252251 NA MeJP NA NA +MJ075868 Sarcodictyin A; 3?-Hydroxy C28H36N2O7 512.252251 NA MeJP NA NA +MJ075869 Lipoxin C4; N-Deglutamyl C25H40N2O7S 512.255622 NA MeJP NA NA +MJ075870 Nimbocinol; 7-O-Benzoyl C33H36O5 512.256274 NA MeJP NA NA +PJ003358 GPPDK C22H36N6O8 512.2595 NA PeJP NA NA +MJ075871 11,16-Epoxy-15,17-dihydroxy-19-kauranoic acid, ?-D-Glucopyranosyl ester C26H40O10 512.262147 NA MeJP NA NA +MJ075872 11,16-Epoxy-9,15-dihydroxy-19-kauranoic acid, ?-D-Glucopyranosyl ester C26H40O10 512.262147 NA MeJP NA NA +MJ075873 2,6,19-Trihydroxy-8,13-labdadien-15,16-olide, 19-O-?-D-Glucopyranoside C26H40O10 512.262147 NA MeJP NA NA +MJ075874 3,14,19-Trihydroxy-8(17),12-labdadien-16,15-olide, 19-O-?-D-Glucopyranoside C26H40O10 512.262147 NA MeJP NA NA +MJ075875 7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 1-O-?-D-Glucopyranoside C26H40O10 512.262147 NA MeJP NA NA +MJ075876 Cuniloside C26H40O10 512.262147 NA MeJP NA NA +CJneg0637 Androsterone glucuronide [(M-H)+(HCOOH)]- C26H39O10 512.262725 C18rt(min)=8.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0637 Androsterone glucuronide [(M-H)+(HCOOH)]- C26H39O10 512.262725 C18rt(min)=8.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ075877 1-Alaninechlamydocin C27H36N4O6 512.263484 NA MeJP NA NA +PJ003359 ALFY C27H36N4O6 512.2635 NA PeJP NA NA +MJ075878 Chaetoglobosin A; 19-Deoxy C32H36N2O4 512.267507 NA MeJP NA NA +MJ075879 Chaetoglobosin B; 19-Deoxy C32H36N2O4 512.267507 NA MeJP NA NA +MJ075880 Chaetoglobosin J C32H36N2O4 512.267507 NA MeJP NA NA +C11301 Sulfoglycolithocholate C26H42NO7S 512.2682 NA KEGG NA NA +MJ075881 Elastatinal A C21H36N8O7 512.270695 NA MeJP NA NA +PJ003360 GSPPR C21H36N8O7 512.2707 NA PeJP NA NA +PJ003361 PLHF C26H36N6O5 512.2747 NA PeJP NA NA +C09143 Pedilstatin C30H40O7 512.2774 NA KEGG NA NA +MJ075882 1,2,9-Trihydroxydihydro-?-agarofuran, 9-Cinnamoyl, 2-(2-Methylpropanoyl), 1-Ac C30H40O7 512.277403 NA MeJP NA NA +MJ075883 1,2,9-Trihydroxydihydro-?-agarofuran, 9-Cinnamoyl, 2-butanoyl, 1-Ac C30H40O7 512.277403 NA MeJP NA NA +MJ075884 12,17-Epoxy-2,3-dihydroxy-7,13-labdadien-15,12-olide, Diangeloyl C30H40O7 512.277403 NA MeJP NA NA +MJ075885 17-Hydroxyingenol; 20-Deoxy, 3,17-diangeloyl C30H40O7 512.277403 NA MeJP NA NA +MJ075886 3,15-Dihydroxy-7,11,23-trioxolanosta-8,20(22)-dien-26-oic acid, 15-Ketone C30H40O7 512.277403 NA MeJP NA NA +MJ075887 3,15-Dihydroxy-7,11,23-trioxolanosta-8,20(22)-dien-26-oic acid, 3-Ketone C30H40O7 512.277403 NA MeJP NA NA +MJ075888 3,7,15-Trihydroxy-11,23-dioxolanost-8-en-26-oic acid, 3,7,15-Triketone C30H40O7 512.277403 NA MeJP NA NA +MJ075889 3,7,15-Trihydroxy-11,23-dioxolanosta-8,20(22)-dien-26-oic acid, 3,15-Diketone C30H40O7 512.277403 NA MeJP NA NA +MJ075890 4,7,27-Trihydroxy-1-oxowitha-2,5,24-trienolide, 7-Ac C30H40O7 512.277403 NA MeJP NA NA +MJ075891 5,6,7-Trihydroxy-12-oxo-16-cassanoic acid, 6-Cinnamoyl, Me ester C30H40O7 512.277403 NA MeJP NA NA +MJ075892 5,6-Epoxy-16,17-dihydroxy-1-oxowitha-2,24-dienolide, 16-Ac C30H40O7 512.277403 NA MeJP NA NA +MJ075893 7,12-Dihydroxymeliac-1-ene-3,15-dione, 1,2-Dihydro, di-Ac C30H40O7 512.277403 NA MeJP NA NA +MJ075894 7,8-Epoxy-15-hydroxy-3,12,23-trioxo-9(11),20(22)-lanostadien-26-oic acid C30H40O7 512.277403 NA MeJP NA NA +MJ075895 8,10,12-Trihydroxy-3-longipinen-5-one, Triangeloyl C30H40O7 512.277403 NA MeJP NA NA +MJ075896 Achyroclinopyrone; 3''-Methylachyroclinopyrone C30H40O7 512.277403 NA MeJP NA NA +MJ075897 Acnistin D C30H40O7 512.277403 NA MeJP NA NA +MJ075898 Aestivalin C30H40O7 512.277403 NA MeJP NA NA +MJ075899 Anabsin C30H40O7 512.277403 NA MeJP NA NA +MJ075900 Chisocheton compound F; 23-Oxo C30H40O7 512.277403 NA MeJP NA NA +MJ075901 Ganosporelactone B; 3-Ketone C30H40O7 512.277403 NA MeJP NA NA +MJ075902 Iochromolide C30H40O7 512.277403 NA MeJP NA NA +MJ075903 Kihadalactone A C30H40O7 512.277403 NA MeJP NA NA +MJ075904 Maritimolide C30H40O7 512.277403 NA MeJP NA NA +MJ075905 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl C30H40O7 512.277403 NA MeJP NA NA +MJ075906 Pregn-5-ene-3,8,12,14,17,20-hexol, 20-Cinnamoyl C30H40O7 512.277403 NA MeJP NA NA +MJ075907 Salimuzzalin C30H40O7 512.277403 NA MeJP NA NA +MJ075908 Sodagnitin E; 12-Oxo, 3-ketone C30H40O7 512.277403 NA MeJP NA NA +MJ075909 Vilasinin; 1,3-Di-Ac C30H40O7 512.277403 NA MeJP NA NA +MJ075910 Withacnistin C30H40O7 512.277403 NA MeJP NA NA +MJ075911 Withanolide D; 18-Acetoxy, 5,6-deepoxy, 5,6-didehydro C30H40O7 512.277403 NA MeJP NA NA +PJ003362 LLMH C23H40N6O5S 512.2781 NA PeJP NA NA +MJ075912 22,23-Epoxycholest-7-ene-2,3,4-triol, 4-Sulfate C27H44O7S 512.280774 NA MeJP NA NA +MJ075913 3,6,20-Trihydroxycholest-9(11)-en-23-one, 3-O-Sulfate C27H44O7S 512.280774 NA MeJP NA NA +MJ075914 3,6,24-Trihydroxycholest-9(11)-en-23-one, 3-O-Sulfate C27H44O7S 512.280774 NA MeJP NA NA +MJ075915 Maltophilin; 14?-Alcohol C29H40N2O6 512.288637 NA MeJP NA NA +MJ075916 Talatizamine; O1,O18-Di-de-Me, 18-O-(2-aminobenzoyl) C29H40N2O6 512.288637 NA MeJP NA NA +PJ003363 APPTK C23H40N6O7 512.2959 NA PeJP NA NA +MJ075917 1,2,3,14,20,22,24,25-Octahydroxycholest-7-en-6-one C27H44O9 512.298533 NA MeJP NA NA +MJ075918 1,2,3,14,20,22,25-Heptahydroxycholest-7-en-6-one, 5?-Hydroxy C27H44O9 512.298533 NA MeJP NA NA +MJ075919 2,3,11,14,20,22,24,25-Octahydroxycholest-7-en-6-one C27H44O9 512.298533 NA MeJP NA NA +MJ075920 2,3,11,14,20,22,25,26-Octahydroxycholest-7-en-6-one C27H44O9 512.298533 NA MeJP NA NA +MJ075921 2,3,5,14,20,22,24,25-Octahydroxycholest-7-en-6-one C27H44O9 512.298533 NA MeJP NA NA +MJ075922 Butyrolactol B C27H44O9 512.298533 NA MeJP NA NA +MJ075923 Cotylenin E; 6'-O-De-Me C27H44O9 512.298533 NA MeJP NA NA +MJ075924 Glycerol 1-alkanoates; Glycerol 1-O-(6Z,9Z,12Z,15Z-octadecatetraenoate), 3-O-?-D-Galactopyranoside C27H44O9 512.298533 NA MeJP NA NA +MJ075925 Muscoride A C28H40N4O5 512.29987 NA MeJP NA NA +MJ075926 Umespirone C28H40N4O5 512.29987 NA MeJP NA NA +MJ075927 ?-Butyl-?-[[[2,2-dimethyl-1-[(methylamino)carbonyl]propyl]amino]carbonyl]-4'-fluoro-[1,1'-biphenyl]-4-hexanoic acid C30H41FN2O4 512.305036 NA MeJP NA NA +PJ003364 PLQR C22H40N8O6 512.3071 NA PeJP NA NA +MJ075928 3,22-Dihydroxy-11-oxo-12-oleanene-27,29-dioic acid, 29?22 Lactone, 27-Me ester C31H44O6 512.313789 NA MeJP NA NA +MJ075929 Anguinomycin A C31H44O6 512.313789 NA MeJP NA NA +MJ075930 Carindone C31H44O6 512.313789 NA MeJP NA NA +MJ075931 Pseudophrynamine A C32H40N4O2 512.315126 NA MeJP NA NA +MJ075932 6-Bromo-27-methyl-5,9-octacosadienoic acid C29H53BrO2 512.322893 NA MeJP NA NA +MJ075933 Ivarimod C30H44N2O5 512.325022 NA MeJP NA NA +3655 NA IKPR 512.331 ACE inhibitor Inhouse_peptide NA peptide +PJ003365 GPVLK C24H44N6O6 512.3323 NA PeJP NA NA +MJ075934 Hemiasterlin C C29H44N4O4 512.336255 NA MeJP NA NA +PJ003366 PLKR C23H44N8O5 512.3435 NA PeJP NA NA +MJ075935 11,12-Epoxy-3-hydroxy-28,13-ursanolide, Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075936 12-Hydroxy-3-oxolanosta-8,24-dien-26-oic acid, Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075937 12-Hydroxy-3-oxolanosta-9(11),24-dien-26-oic acid, Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075938 17,23-Epoxy-3-hydroxycycloartan-26,23-olide, Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075939 2,3,19-Trihydroxy-12-ursen-28-oic acid, 28?19-Lactone, 2-Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075940 24,25-Epoxy-23-hydroxyprotost-13(17)-ene-3,16-dione, Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075941 3,11-Dihydroxy-12-ursen-24-oic acid, 11-Ketone, 3-Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075942 3,11-Dihydroxy-12-ursen-28-oic acid, 11-Ketone, 3-Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075943 3,12,13-Trihydroxy-28-oleananoic acid, 12-Ketone, 28?13 lactone, 3-Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075944 3,13-Dihydroxy-11-oleanen-28-oic acid, 11?,12?-Epoxide, 28?13-lactone, 3-Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075945 3,15-Dihydroxylanosta-7,9(11),24-trien-26-oic acid, 15-Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075946 3,15-Dihydroxylanosta-7,9(11),24-trien-26-oic acid, 3-Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075947 3,15-Dihydroxylanosta-7,9(11),24-trien-26-oic acid, 15-Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075948 3,15-Dihydroxylanosta-7,9(11),24-trien-26-oic acid, 3-Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075949 3,15-Dihydroxylanosta-8,24-dien-21-oic acid, 3-Ketone, 15-Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075950 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075951 3,22,29-Trihydroxy-13,15,17(20),24-isomalabaricatetraen-12-one, 3-Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075952 3,22-Dihydroxylanosta-7,9(11),24-trien-26-oic acid, 22-Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075953 3-Hydroxy-11-oxo-12-oleanen-28-oic acid, Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075954 3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075955 3-Oxolanosta-7,24-dien-26-oic acid, 6?-Acetoxy C32H48O5 512.350174 NA MeJP NA NA +MJ075956 Coronalolic acid; Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075957 Dysoxylic acid A; 3-De-Ac, 3-ketone, 7-Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075958 Holost-8-ene-3,23-diol, 25,26-Didehydro, 23-Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075959 Holosta-7,25-dien-3-ol, 16?-Acetoxy C32H48O5 512.350174 NA MeJP NA NA +MJ075960 Holosta-8,25-dien-3-ol, 23-Ac C32H48O5 512.350174 NA MeJP NA NA +MJ075961 Jacquinonic acid; Et ester C32H48O5 512.350174 NA MeJP NA NA +MJ075962 Lagunapyrone A C32H48O5 512.350174 NA MeJP NA NA +MJ075963 Leptofuranin A C32H48O5 512.350174 NA MeJP NA NA +MJ075964 Leptomycin A; 24-Alcohol C32H48O5 512.350174 NA MeJP NA NA +MJ075965 Perenniporiol C32H48O5 512.350174 NA MeJP NA NA +MJ075966 Poricoic acid A; 3-Me ester C32H48O5 512.350174 NA MeJP NA NA +MJ075967 Prieurone; 29-Hydroxy C32H48O5 512.350174 NA MeJP NA NA +C17734 Acetoxolone C32H48O5 512.3502 NA KEGG NA NA +MJ075968 Neurosporaxanthin; Me ester C36H48O2 512.36543 NA MeJP NA NA +MJ075969 Stigmastane-3,4,6,8,15,16,26-heptol C29H52O7 512.371304 NA MeJP NA NA +MJ075970 14-Serratene-3,21,30-triol, 30-Aldehyde, 3-Me ether, 21-Ac C33H52O4 512.38656 NA MeJP NA NA +MJ075971 17,29-Tritriacontadiene-2,4,32-triyne-1,6,31-triol; 16-Hydroxy C33H52O4 512.38656 NA MeJP NA NA +MJ075972 24-Methylenelanost-8-ene-3,21-diol, 21-Carboxylic acid, Ac C33H52O4 512.38656 NA MeJP NA NA +MJ075973 3,28,33-Trihydroxy-4-tritriacontene-1,29,31-triyn-16-one C33H52O4 512.38656 NA MeJP NA NA +MJ075974 3-Hydroxy-12-oleanen-28-oic acid, Ac, Me ester C33H52O4 512.38656 NA MeJP NA NA +MJ075975 3-Hydroxy-13(18)-oleanen-28-oic acid, Ac, Me ester C33H52O4 512.38656 NA MeJP NA NA +MJ075976 3-Hydroxy-20(29)-lupen-28-oic acid, 3-Ac, Me ester C33H52O4 512.38656 NA MeJP NA NA +MJ075977 5,14:7,8-Diepoxy-5-marasmanol, 9,12-Octadecadienoyl (Z,Z-) C33H52O4 512.38656 NA MeJP NA NA +MJ075978 12-Oleanene-3,11-diol, 11-Et ether, 3-Ac C34H56O3 512.422945 NA MeJP NA NA +MJ075979 12-Ursene-3,11-diol, 11-Et ether, 3-Ac C34H56O3 512.422945 NA MeJP NA NA +HMDB07008 DG(14:0/14:0/0:0) C31H60O5 512.444092 NA HMDB2010 NA NA +C16667 1,2-Dimyristyl-sn-glycerol C31H60O5 512.4441 NA KEGG NA NA +C16669 Polynucleotide 5'-diphosphate C10H19O16P3R2 512.4441 NA KEGG NA NA +MJ075980 5-Methyl-3-(11,15,19-triacontatrienyl)-2(5H)-furanone C35H60O2 512.459331 NA MeJP NA NA +MJ075981 5-Methyl-3-(9,13,17-triacontatrienyl)-2(5H)-furanone C35H60O2 512.459331 NA MeJP NA NA +MJ075982 Cycloartanol; 3-(2-Methylbutanoyl)(R-) C35H60O2 512.459331 NA MeJP NA NA +2614 synthetic peptide inhibitors of (PEP) VYPFPGPIH 512.75895 MH2+ Inhouse_peptide NA peptide +3437 f(1-8) of bovine lactoferrin APRKNVRW 512.78745 MH2+ Inhouse_peptide NA peptide +MJ075983 Cefuzonam C16H15N7O5S4 513.001749 NA MeJP NA NA +HMDB06823 2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine C9H18N5O14P3 513.006287 NA HMDB2010 NA NA +HMDB06821 2,5-Diaminopyrimidine nucleoside triphosphate C9H18N5O14P3 513.00629 http://www.hmdb.ca/metabolites/HMDB06821 HMDB NA NA +HMDB06823 2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine C9H18N5O14P3 513.00629 http://www.hmdb.ca/metabolites/HMDB06823 HMDB NA NA +HMDB06821 2,5-Diaminopyrimidine nucleoside triphosphate C9H18N5O14P3 513.00629 HMDB06821 PFEM_hmdb_metabocards_official NA NA +HMDB06823 2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine C9H18N5O14P3 513.00629 HMDB06823 PFEM_hmdb_metabocards_official NA NA +C05923 2,5-Diaminopyrimidine nucleoside triphosphate C9H18N5O14P3 513.0063 NA KEGG NA NA +C06148 2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)- C9H18N5O14P3 513.0063 NA KEGG NA NA +MJ075984 2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine C9H18N5O14P3 513.006309 NA MeJP NA NA +PJ003367 GCCCE C16H27N5O8S3 513.1022 NA PeJP NA NA +MJ075985 Dynemicin P; 5-Oxo C28H19NO9 513.105981 NA MeJP NA NA +MJ075986 1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid, Nitrile, 1-O-[?-D-rhamnopyranosyl(1?6)-?-D-glucopyranoside], 4-O-sulfate C18H27NO14S 513.115225 NA MeJP NA NA +PJ003368 CCCW C20H27N5O5S3 513.1175 NA PeJP NA NA +PJ003369 SSCCD C16H27N5O10S2 513.12 NA PeJP NA NA +PJ003370 GTCCM C17H31N5O7S3 513.1386 NA PeJP NA NA +MJ075987 Neoacrimarine A C29H23NO8 513.142366 NA MeJP NA NA +PJ003371 CNDY C20H27N5O9S 513.153 NA PeJP NA NA +PJ003372 SSSCM C17H31N5O9S2 513.1563 NA PeJP NA NA +MJ075988 Adriamycin; 11-Deoxy, O4-de-Me C26H27NO10 513.163496 NA MeJP NA NA +MJ075989 Adriamycin; 4'-Epimer C26H27NO10 513.163496 NA MeJP NA NA +MJ075990 Adriamycin; Demethoxy C26H27NO10 513.163496 NA MeJP NA NA +MJ075991 Carminomycin I C26H27NO10 513.163496 NA MeJP NA NA +C12432 Carminomycin C26H27NO10 513.1635 NA KEGG NA NA +PJ003373 CNMF C21H31N5O6S2 513.1716 NA PeJP NA NA +MJ075992 Acrimarine A; O5-De-Me, 6-demethoxy, O3-Me C30H27NO7 513.178752 NA MeJP NA NA +PJ003374 NDEH C19H27N7O10 513.182 NA PeJP NA NA +MJ075993 Antibiotic KA 3093 C23H31NO12 513.184625 NA MeJP NA NA +MJ075994 Methoxyhygromycin C23H31NO12 513.184625 NA MeJP NA NA +PJ003375 SNMY C21H31N5O8S 513.1893 NA PeJP NA NA +PJ003376 GGSMY C21H31N5O8S 513.1894 NA PeJP NA NA +PJ003377 GDHW C23H27N7O7 513.1972 NA PeJP NA NA +MJ075995 Antibiotic K 502; Antibiotic K 502D C27H31NO9 513.199881 NA MeJP NA NA +MJ075996 Daunomycin; 11-Deoxy, 13-alcohol C27H31NO9 513.199881 NA MeJP NA NA +MJ075997 Feudomycin A C27H31NO9 513.199881 NA MeJP NA NA +C12429 13-Deoxydaunorubicin C27H31NO9 513.1999 NA KEGG NA NA +PJ003378 GPTCH C20H31N7O7S 513.2006 NA PeJP NA NA +MJ075998 Validoxylamine B; 4-O-?-D-Glucopyranoside C20H35NO14 513.205754 NA MeJP NA NA +MJ075999 Zeatin, 9-?-D-Ribofuranosyl, O-?-D-glucopyranoside C21H31N5O10 513.207092 NA MeJP NA NA +PJ003379 GSSTY C21H31N5O10 513.2071 NA PeJP NA NA +MJ076000 Toddacoumalone C31H31NO6 513.215137 NA MeJP NA NA +MJ076001 Antibiotic SS 56C; 4-Deoxy C19H35N3O13 513.216988 NA MeJP NA NA +PJ003380 TQEH C20H31N7O9 513.2183 NA PeJP NA NA +PJ003381 GATEH C20H31N7O9 513.2184 NA PeJP NA NA +PJ003382 PPDW C25H31N5O7 513.2224 NA PeJP NA NA +PJ003383 TCKY C22H35N5O7S 513.2257 NA PeJP NA NA +PJ003384 SDHR C19H31N9O8 513.2296 NA PeJP NA NA +MJ076002 N-Acetylpuromycin C24H31N7O6 513.233581 NA MeJP NA NA +C07032 N-Acetylpuromycin C24H31N7O6 513.2336 NA KEGG NA NA +C07033 Transferred to D00337 C24H31N7O6 513.2336 NA KEGG NA NA +PJ003385 ATHW C24H31N7O6 513.2336 NA PeJP NA NA +MJ076003 Anhydroharringtonine C28H35NO8 513.236267 NA MeJP NA NA +PJ003386 VQMH C21H35N7O6S 513.237 NA PeJP NA NA +PJ003387 APPTE C22H35N5O9 513.2435 NA PeJP NA NA +7695 ACE inhibitor from wakame KFYG 513.246 antioxidative Inhouse_peptide NA peptide +MJ076004 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 1-L-Glutamine, 16-L-isoleucine diamide C27H35N3O7 513.2475 NA MeJP NA NA +PJ003388 AMHR C20H35N9O5S 513.2482 NA PeJP NA NA +MJ076005 Phoslactomycin; Phoslactomycin B C25H40NO8P 513.249153 NA MeJP NA NA +C15710 Phoslactomycin B C25H40NO8P 513.2492 NA KEGG NA NA +PJ003389 TKEH C21H35N7O8 513.2547 NA PeJP NA NA +PJ003390 GGGGGPL C21H35N7O8 513.2548 NA PeJP NA NA +C11318 DAMGO C26H35N5O6 513.2587 NA KEGG NA NA +MJ076006 L-Tyrosyl-D-alanylglycyl-N-(2-hydroxyethyl)-N?-methyl-L-phenylalaninamide C26H35N5O6 513.258733 NA MeJP NA NA +PJ003391 GKFY C26H35N5O6 513.2588 NA PeJP NA NA +PJ003392 GPPLM C23H39N5O6S 513.2621 NA PeJP NA NA +MJ076007 Erysodinophorine; O15-De-Me C31H36N3O4(+) 513.262756 NA MeJP NA NA +MJ076008 Erysophorine; O16-De-Me C31H36N3O4(+) 513.262756 NA MeJP NA NA +PJ003393 TTHR C20H35N9O7 513.266 NA PeJP NA NA +CJneg0638 Androsterone glucuronide [(M-H)+(HCOOH)]- (13C) C2513CH39O10 513.266025 C18rt(min)=8.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0638 Androsterone glucuronide [(M-H)+(HCOOH)]- (13C) C2513CH39O10 513.266025 C18rt(min)=8.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +3455 PEP inhibitor LLSPWNINA 513.2689 MH2+ Inhouse_peptide NA peptide +PJ003394 VKMH C22H39N7O5S 513.2734 NA PeJP NA NA +HMDB02639 Sulfolithocholylglycine C26H43NO7S 513.276 http://www.hmdb.ca/metabolites/HMDB02639 PFEM_hmdb_metabocards_urine NA urine +HMDB02639 Sulfolithocholylglycine C26H43NO7S 513.276 http://www.hmdb.ca/metabolites/HMDB02639 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02639 Sulfolithocholylglycine C26H43NO7S 513.276 http://www.hmdb.ca/metabolites/HMDB02639 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB02639 Sulfolithocholylglycine C26H43NO7S 513.276 http://www.hmdb.ca/metabolites/HMDB02639 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB02639 Sulfolithocholylglycine C26H43NO7S 513.276 http://www.hmdb.ca/metabolites/HMDB02639 HMDB NA NA +HMDB02639 Sulfolithocholylglycine C26H43NO7S 513.276 http://www.hmdb.ca/metabolites/HMDB02639 PFEM_hmdb_metabocards_blood NA blood +HMDB02639 Sulfolithocholylglycine C26H43NO7S 513.276 HMDB02639 PFEM_hmdb_metabocards_official NA NA +HMDB02639 Sulfolithocholylglycine C26H43NO7S 513.276 NA ;SYN:(+/-)-3-Amino-2-methylpropanoic acid; (+/-)-3-Aminoisobutyric acid; (+/-)-b-Aminoisobutyric acid; 2-Methyl-b-alanine; 3-Aminoisobutanoate; DL-2-Methyl-b-alanine; DL-3-Amino-2-methylpropionic acid; a-Methyl-b-alanine; b-Aminoisobutyric acid; (+/-)-beta-Aminoisobutyric acid; DL-beta-Aminoisobutyric acid; 2-Methyl-beta-alanine; DL-2-Methyl-beta-alanine; alpha-Methyl-beta-alanine; beta-Aminoisobutyric acid; (+/-)-3-Amino-2-methylpropanoate; 3-Aminoisobutanoic acid; dl-3-Aminoisobutyric acid; 3-aminoisobutyric acid; 3-amino-isobutanoic acid; 3-amino-2-methylpropanoic acid; 3-amino-isobutanoate; 3-amino-2-methylpropanoate; 3-aminoisobutyrateH2Blood; Urine Inhouse_peptide NA peptide +HMDB02639 Sulfolithocholylglycine C26H43NO7S 513.276001 NA HMDB2010 NA NA +3398 ACE inhibitor (as2-casein fragment; 190-197) MKPWIQPK 513.2767 MH2+ Inhouse_peptide NA peptide +7471 coeliac toxic peptide VIPVGGSSALGA 513.2785 MH2+ Inhouse_peptide NA peptide +PJ003395 GPVLE C23H39N5O8 513.2799 NA PeJP NA NA +EUR911 Lyso PE 22:5 [M-H-CH3]- C27H46NO7P 513.285542 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR911 Lyso PE 22:5 [M-H-CH3]- C27H46NO7P 513.285542 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR911 Lyso PE 22:5 [M-H-CH3]- C27H46NO7P 513.285542 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR911 Lyso PE 22:5 [M-H-CH3]- C27H46NO7P 513.285542 masses lipides attendues Inhousejuil11 NA NA +PJ003396 PLER C22H39N7O7 513.2911 NA PeJP NA NA +PJ003397 PVLW C27H39N5O5 513.2951 NA PeJP NA NA +PJ003398 PNKR C21H39N9O6 513.3024 NA PeJP NA NA +EUR564 LysoPC(14:0) [M+FA-H]- 513.306025 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR564 LysoPC(14:0) [M+FA-H]- 513.306025 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR564 LysoPC(14:0) [M+FA-H]- 513.306025 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR564 LysoPC(14:0) [M+FA-H]- 513.306025 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR564 LysoPC(14:0) [M+FA-H]- 513.306025 identifiés dans sérum NuGO HMDB NA NA +EUR564 LysoPC(14:0) [M+FA-H]- 513.306025 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR564 LysoPC(14:0) [M+FA-H]- 513.306025 identifies dans serum NuGO Inhousejuil11 NA NA +EUR564 LysoPC(14:0) [M+FA-H]- 513.306025 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR564 LysoPC(14:0) [M+FA-H]- 513.306025 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR677 Lyso PC 14:0 [M+FA-H]- C22H46NO7P 513.306072 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR677 Lyso PC 14:0 [M+FA-H]- C22H46NO7P 513.306072 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR677 Lyso PC 14:0 [M+FA-H]- C22H46NO7P 513.306072 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR677 Lyso PC 14:0 [M+FA-H]- C22H46NO7P 513.306072 masses lipides attendues Inhousejuil11 NA NA +EUR828 Lyso PE 16:0 [M-H+acetate]- C21H44NO7P 513.306642 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR828 Lyso PE 16:0 [M-H+acetate]- C21H44NO7P 513.306642 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR828 Lyso PE 16:0 [M-H+acetate]- C21H44NO7P 513.306642 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR828 Lyso PE 16:0 [M-H+acetate]- C21H44NO7P 513.306642 masses lipides attendues Inhousejuil11 NA NA +MJ076009 Bisparthenolidine C30H43NO6 513.309038 NA MeJP NA NA +PJ003399 APTLL C24H43N5O7 513.3163 NA PeJP NA NA +PJ003400 AAPKK C23H43N7O6 513.3275 NA PeJP NA NA +MJ076010 Proactinomycin; Proactinomycin A C27H47NO8 513.330167 NA MeJP NA NA +PJ003401 GVLLL C25H47N5O6 513.3527 NA PeJP NA NA +PJ003402 LLLR C24H47N7O5 513.3639 NA PeJP NA NA +MJ076011 Daphmacrine; Lactol C32H51NO4 513.381809 NA MeJP NA NA +MJ076012 1,1,2,6,6-Pentabromo-1,4-octadien-3-one C8H7Br5O 513.641378 NA MeJP NA NA +2590 tenecin-1 (17-27) DAACAAHCLFRG 513.7535 MH2+ Inhouse_peptide NA peptide +MJ076013 Rubrolide E; 3',3'',5''-Tribromo C17H9Br3O4 513.805096 NA MeJP NA NA +MJ076014 Calcium ferrous citrate C12H10Ca2FeO14 513.867179 NA MeJP NA NA +MJ076015 Cefmatilen C15H14N8O5S4 513.996998 NA MeJP NA NA +FL5FACGSS003 Quercetin 3-sulfate-7-alpha-arabinopyranoside; 3-(Hydrogen sulfate)-7-(alpha-L-arabinopyranosyloxy)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-1-benzopyran-4-one C20H18O14S 514.04172 396707-57-6 knapsack NA NA +MJ076016 4',5,7-Trihydroxy-6-prenylflavone; ?3''-Isomer, 2''-hydroxy C20H18O16 514.059484 NA MeJP NA NA +MJ076017 Carpinin D C20H18O16 514.059484 NA MeJP NA NA +MJ076018 Hydroxytetraphlorethol C24H18O13 514.07474 NA MeJP NA NA +MJ076019 Tetrafuhalol B; 4'-Deoxy C24H18O13 514.07474 NA MeJP NA NA +MJ076020 Tetraisofuhalol C24H18O13 514.07474 NA MeJP NA NA +MJ076021 Tetraphlorethol A; 4'''-Hydroxy C24H18O13 514.07474 NA MeJP NA NA +C18032 dTDP-4-oxo-2,3,6-trideoxy-D-glucose C16H24N2O13P2 514.0754 NA KEGG NA NA +MJ076022 Ustilaginoidin A C28H18O10 514.089996 NA MeJP NA NA +MJ076023 altro-2-Heptulose, 1,7-Bis(3,4,5-trihydroxybenzoyl) C21H22O15 514.09587 NA MeJP NA NA +MJ076024 Napyradiomycin B1 C25H29Cl3O5 514.108057 NA MeJP NA NA +C11199 Cefpirome C22H22N6O5S2 514.1093 NA KEGG NA NA +MJ076025 Cefpirome C22H22N6O5S2 514.109309 NA MeJP NA NA +MJ076026 3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, 9-(Shikim-5-yl) ester C25H22O12 514.111126 NA MeJP NA NA +MJ076027 4-(2-Carboxyethenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid, 9'-(3-Carboxy-5,6-dihydroxy-3-cyclohexen-1-yl)(1R,5R,6R-) ester C25H22O12 514.111126 NA MeJP NA NA +MJ076028 Edgeworin; Me ether, 6'-?-D-glucopyranosyloxy C25H22O12 514.111126 NA MeJP NA NA +MJ076029 Edgeworthin; 6-Me ether, 7-O-?-D-galactopyranoside C25H22O12 514.111126 NA MeJP NA NA +MJ076030 Edgeworthin; 6-Me ether, 7-O-?-D-glucopyranoside C25H22O12 514.111126 NA MeJP NA NA +MJ076031 Verlukast C26H27ClN2O3S2 514.115161 NA MeJP NA NA +C11239 MK 571 C26H27ClN2O3S2 514.1152 NA KEGG NA NA +PJ003403 CDDY C20H26N4O10S 514.137 NA PeJP NA NA +PJ003404 CMMM C18H34N4O5S4 514.1412 NA PeJP NA NA +MetaCyc03754 S-formylmycothiol [MSCH2OH;] C18H30N2O13S1 514.14686 NA metacyc NA NA +C06718 S-Formylmycothiol C18H30N2O13S 514.1469 NA KEGG NA NA +MJ076032 3-(4-Hydroxyphenyl)-2-propenoic acid, O-[4-Hydroxy-E-cinnamoyl-(?6)-2-O-acetyl-?-D-glucopyranoside] C26H26O11 514.147511 NA MeJP NA NA +MJ076033 Imbricatine C24H26N4O7S 514.152219 NA MeJP NA NA +PJ003405 CDMF C21H30N4O7S2 514.1556 NA PeJP NA NA +MJ076034 6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 3?,4?:13?,14?-Diepoxide, 2,9-di-Ac C24H31ClO10 514.160574 NA MeJP NA NA +MJ076035 6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 3?,4?:13?,14?-Diepoxide, 9,12-di-Ac C24H31ClO10 514.160574 NA MeJP NA NA +MJ076036 3,5,7-Trihydroxyflavan(4?8)-3,5,7-trihydroxyflavan C30H26O8 514.162767 NA MeJP NA NA +MJ076037 4',7-Dihydroxyflavan(4?6)-3,4',5,7-tetrahydroxyflavan C30H26O8 514.162767 NA MeJP NA NA +MJ076038 4',7-Dihydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan C30H26O8 514.162767 NA MeJP NA NA +MJ076039 Brackenin C30H26O8 514.162767 NA MeJP NA NA +MJ076040 Flavomannin, 3,3'-Dideoxy C30H26O8 514.162767 NA MeJP NA NA +MJ076041 Gnetifolin C C30H26O8 514.162767 NA MeJP NA NA +MJ076042 Gnetulin C30H26O8 514.162767 NA MeJP NA NA +MJ076043 Mbamichalcone C30H26O8 514.162767 NA MeJP NA NA +MJ076044 Peroxisomicin A1 C30H26O8 514.162767 NA MeJP NA NA +MJ076045 Toddasiatin C30H26O8 514.162767 NA MeJP NA NA +C14077 Phthalocyanine C32H18N8 514.1654 NA KEGG NA NA +PJ003406 DDEH C19H26N6O11 514.166 NA PeJP NA NA +MJ076046 3-Methyl-1,2,8-naphthalenetriol; 2,8-Di-O-?-D-glucopyranoside C23H30O13 514.168641 NA MeJP NA NA +MJ076047 Formadicins; Formadicin D C24H26N4O9 514.169978 NA MeJP NA NA +MJ076048 Duoperone C28H26F4N2OS 514.170196 NA MeJP NA NA +MJ076049 Belactin A; N2-?-D-Glucopyranosyl C23H31ClN2O9 514.171808 NA MeJP NA NA +PJ003407 SDMY C21H30N4O9S 514.1734 NA PeJP NA NA +FL5FABGI0001 Icariside II;Baohuoside 1;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C27H30O10 514.18389 113558-15-9 knapsack NA NA +MJ076050 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-?-L-rhamnopyranoside C27H30O10 514.183897 NA MeJP NA NA +MJ076051 Antibiotic T 23W C27H30O10 514.183897 NA MeJP NA NA +MJ076052 Brownin C C27H30O10 514.183897 NA MeJP NA NA +MJ076053 Brownin E C27H30O10 514.183897 NA MeJP NA NA +MJ076054 Brownin H C27H30O10 514.183897 NA MeJP NA NA +MJ076055 Brucein E; 2-Ketone, O15-benzoyl C27H30O10 514.183897 NA MeJP NA NA +MJ076056 Heteroclitin F C27H30O10 514.183897 NA MeJP NA NA +MJ076057 Mutactimycin C; 6-Deoxy C27H30O10 514.183897 NA MeJP NA NA +PJ003408 AMMY C22H34N4O6S2 514.192 NA PeJP NA NA +MJ076058 5-Hydroxytryptamine; Nb-(4-Hydroxy-3-methoxycinnamoyl)(E-), O-?-D-glucopyranoside C26H30N2O9 514.19513 NA MeJP NA NA +MJ076059 Antibiotic UK 2; Antibiotic UK 2A C26H30N2O9 514.19513 NA MeJP NA NA +MJ076060 Vincosamide; 10-Hydroxy C26H30N2O9 514.19513 NA MeJP NA NA +PJ003409 NNMH C19H30N8O7S 514.1958 NA PeJP NA NA +PJ003410 GGGGMH C19H30N8O7S 514.1959 NA PeJP NA NA +MJ076061 Punaglandin 3; 17,18-Dihydro, 10?,11?-epoxide C25H35ClO9 514.19696 NA MeJP NA NA +MJ076062 Celesticetin; N-De-Me C23H34N2O9S 514.198501 NA MeJP NA NA +MJ076063 Celesticetin; O7-De-Me C23H34N2O9S 514.198501 NA MeJP NA NA +MJ076064 Cochinchinenin C31H30O7 514.199153 NA MeJP NA NA +MJ076065 Karwinskione; 10'-Hydroxy, 7'-demethoxy C31H30O7 514.199153 NA MeJP NA NA +PJ003411 TEEH C20H30N6O10 514.2024 NA PeJP NA NA +PJ003412 PMMH C21H34N6O5S2 514.2032 NA PeJP NA NA +PJ003413 GEFY C25H30N4O8 514.2064 NA PeJP NA NA +PJ003414 TTMY C22H34N4O8S 514.2097 NA PeJP NA NA +MJ076066 Cytosaminomycin A C22H34N4O8S 514.209734 NA MeJP NA NA +MJ076067 Mildiomycin C19H30N8O9 514.213574 NA MeJP NA NA +PJ003415 GSSQH C19H30N8O9 514.2136 NA PeJP NA NA +CJpos0812 Hydroxyretinoic Glucuronide (and isomers) [(M+Na)]+ C26H36NaO9 514.217375 C18rt(min)=8.95 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0812 Hydroxyretinoic Glucuronide (and isomers) [(M+Na)]+ C26H36NaO9 514.217375 C18rt(min)=8.95 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +PJ003416 PDHF C24H30N6O7 514.2176 NA PeJP NA NA +MJ076068 1(10?19)-Abeo-7-acetoxyisoobacun-3,10-olide C28H34O9 514.220282 NA MeJP NA NA +MJ076069 Carapolide F; 11-Deoxy C28H34O9 514.220282 NA MeJP NA NA +MJ076070 Citreohybriddione B C28H34O9 514.220282 NA MeJP NA NA +MJ076071 Citreohybriddione C C28H34O9 514.220282 NA MeJP NA NA +MJ076072 Gomisin D; 8'-Deoxy, 8'-epimer C28H34O9 514.220282 NA MeJP NA NA +MJ076073 Gomisin F C28H34O9 514.220282 NA MeJP NA NA +MJ076074 Gomisin P; 7,8-Diepimer, 7-angeloyl C28H34O9 514.220282 NA MeJP NA NA +MJ076075 Gomisin P; 7-Angeloyl C28H34O9 514.220282 NA MeJP NA NA +MJ076076 Gomisin P; 7-Tigloyl C28H34O9 514.220282 NA MeJP NA NA +MJ076077 Javanicin S C28H34O9 514.220282 NA MeJP NA NA +MJ076078 Microphyllinic acid; O-De-Me C28H34O9 514.220282 NA MeJP NA NA +MJ076079 Nomilinic acid; Lactone C28H34O9 514.220282 NA MeJP NA NA +MJ076080 Obacunol; 6?-Acetoxy C28H34O9 514.220282 NA MeJP NA NA +MJ076081 Photogedunin C28H34O9 514.220282 NA MeJP NA NA +C08773 Nomilin C28H34O9 514.2203 NA KEGG NA NA +C17814 Gomisin B C28H34O9 514.2203 NA KEGG NA NA +PJ003417 VEMH C21H34N6O7S 514.221 NA PeJP NA NA +PJ003418 FYW C29H30N4O5 514.2216 NA PeJP NA NA +PJ003419 AMFF C26H34N4O5S 514.225 NA PeJP NA NA +MJ076082 Evertriose C21H38O14 514.226155 NA MeJP NA NA +MJ076083 Sobuzoxane C22H34N4O10 514.227493 NA MeJP NA NA +MJ076084 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 1-L-Glutamic acid, 16-L-isoleucine diamide C27H34N2O8 514.231516 NA MeJP NA NA +PJ003420 CQKH C20H34N8O6S 514.2322 NA PeJP NA NA +MJ076085 Telmisartan C33H30N4O2 514.236876 NA MeJP NA NA +C07710 Telmisartan C33H30N4O2 514.2369 NA KEGG NA NA +PJ003421 SSPPQ C21H34N6O9 514.2387 NA PeJP NA NA +PJ003422 AAPQE C21H34N6O9 514.2388 NA PeJP NA NA +MJ076086 Nemorososide C25H38O11 514.241412 NA MeJP NA NA +PJ003423 GLYY C26H34N4O7 514.2428 NA PeJP NA NA +PJ003424 PNER C20H34N8O8 514.25 NA PeJP NA NA +PJ003425 PVNW C25H34N6O6 514.254 NA PeJP NA NA +MJ076087 Ajugalactone; 2-Ketone C29H38O8 514.256668 NA MeJP NA NA +MJ076088 Ajugalactone; 3-Ketone C29H38O8 514.256668 NA MeJP NA NA +MJ076089 Citreohybridone A; O15-De-Ac, O15-Me C29H38O8 514.256668 NA MeJP NA NA +MJ076090 Confluentic acid; Me ether C29H38O8 514.256668 NA MeJP NA NA +MJ076091 Elaeodendroside D C29H38O8 514.256668 NA MeJP NA NA +MJ076092 Elaeodendroside K C29H38O8 514.256668 NA MeJP NA NA +MJ076093 Gedunin; 1,2-Dihydro, 1?-methoxy C29H38O8 514.256668 NA MeJP NA NA +MJ076094 Glycinoeclepin C C29H38O8 514.256668 NA MeJP NA NA +MJ076095 Ingenol; 3-Angeloyl, 5,20-di-Ac C29H38O8 514.256668 NA MeJP NA NA +MJ076096 Isocitreohybridone A; 17-De-Ac, 17-Me ether C29H38O8 514.256668 NA MeJP NA NA +MJ076097 Lucidenic acid E2; 3-Ketone C29H38O8 514.256668 NA MeJP NA NA +MJ076098 Miophytocen A C29H38O8 514.256668 NA MeJP NA NA +MJ076099 Prasinic acid; 2''-Oxo C29H38O8 514.256668 NA MeJP NA NA +MJ076100 Roridin E C29H38O8 514.256668 NA MeJP NA NA +MJ076101 Setosusin C29H38O8 514.256668 NA MeJP NA NA +PJ003426 APPCK C22H38N6O6S 514.2574 NA PeJP NA NA +MJ076102 Fradicin C30H34N4O4 514.258005 NA MeJP NA NA +PJ003427 GPRW C24H34N8O5 514.2652 NA PeJP NA NA +MJ076103 Maytansinol; Dechloro, 4,5-deepoxy, 4,5-didehydro C28H38N2O7 514.267901 NA MeJP NA NA +PJ003428 CKKH C21H38N8O5S 514.2686 NA PeJP NA NA +PJ003429 AAPKE C22H38N6O8 514.2751 NA PeJP NA NA +MJ076104 13,16,17-Trihydroxy-19-kauranoic acid, ?-D-Glucopyranosyl ester C26H42O10 514.277797 NA MeJP NA NA +MJ076105 3,13,19-Trihydroxy-1,6,10,14-phytatetraen-16-oic acid, 3-O-?-D-Glucopyranoside C26H42O10 514.277797 NA MeJP NA NA +MJ076106 9,16,17-Trihydroxy-19-kauranoic acid, ?-D-Glucopyranosyl ester C26H42O10 514.277797 NA MeJP NA NA +MJ076107 Cinncassiol D1; 19-O-?-D-Glucopyranosyl C26H42O10 514.277797 NA MeJP NA NA +MJ076108 Cinncassiol D4; 2-O-?-D-Glucopyranoside C26H42O10 514.277797 NA MeJP NA NA +MJ076109 Sativanine K C27H38N4O6 514.279134 NA MeJP NA NA +MJ076110 Chaetoglobosin A; 19-Deoxy, 20?-alcohol C32H38N2O4 514.283157 NA MeJP NA NA +MJ076111 Chaetoglobosin J; 21,22-Dihydro C32H38N2O4 514.283157 NA MeJP NA NA +PJ003430 PDKR C21H38N8O7 514.2864 NA PeJP NA NA +PJ003431 VLHF C26H38N6O5 514.2904 NA PeJP NA NA +MJ076112 15-Hydroxy-3,7,11,23-tetraoxolanost-8-en-26-oic acid C30H42O7 514.293053 NA MeJP NA NA +MJ076113 2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione C30H42O7 514.293053 NA MeJP NA NA +MJ076114 3,14-Dihydroxybufa-20,22-dienolide, 3-(Hydrogen adipoyl) C30H42O7 514.293053 NA MeJP NA NA +MJ076115 3,15-Dihydroxy-7,11,23-trioxolanosta-8,20(22)-dien-26-oic acid C30H42O7 514.293053 NA MeJP NA NA +MJ076116 3,20-Dihydroxy-7,11,15-trioxolanosta-8,24-dien-26-oic acid C30H42O7 514.293053 NA MeJP NA NA +MJ076117 3,7,15-Trihydroxy-11,23-dioxolanost-8-en-26-oic acid, 3,15-Diketone C30H42O7 514.293053 NA MeJP NA NA +MJ076118 3,7,15-Trihydroxy-11,23-dioxolanost-8-en-26-oic acid, 7,15-Diketone C30H42O7 514.293053 NA MeJP NA NA +MJ076119 3,7,15-Trihydroxy-11,23-dioxolanosta-8,20(22)-dien-26-oic acid, 15-Ketone C30H42O7 514.293053 NA MeJP NA NA +MJ076120 3,7,15-Trihydroxy-11,23-dioxolanosta-8,20(22)-dien-26-oic acid, 3-Ketone C30H42O7 514.293053 NA MeJP NA NA +MJ076121 7,15,23-Trihydroxy-3,11-dioxolanosta-8,24-dien-26-oic acid, 7,15-Diketone, 3?-alcohol C30H42O7 514.293053 NA MeJP NA NA +MJ076122 8,14-Epoxy-3-hydroxycarda-16,20(22)-dienolide, 3-O-?-D-Diginoside C30H42O7 514.293053 NA MeJP NA NA +MJ076123 Arrivacin A C30H42O7 514.293053 NA MeJP NA NA +MJ076124 Biennin C C30H42O7 514.293053 NA MeJP NA NA +MJ076125 Chisocheton compound F C30H42O7 514.293053 NA MeJP NA NA +MJ076126 Euphohelioscopin A; 4',5'-Epoxide C30H42O7 514.293053 NA MeJP NA NA +MJ076127 Fijianolide A C30H42O7 514.293053 NA MeJP NA NA +MJ076128 Fijianolide B C30H42O7 514.293053 NA MeJP NA NA +MJ076129 Ganosporelactone B C30H42O7 514.293053 NA MeJP NA NA +MJ076130 Havanensin; 1,7-Di-Ac C30H42O7 514.293053 NA MeJP NA NA +MJ076131 Havanensin; 3,7-Di-Ac C30H42O7 514.293053 NA MeJP NA NA +MJ076132 Iochromolide; 24?,25?-Dihydro C30H42O7 514.293053 NA MeJP NA NA +MJ076133 Milbemycin ?16 C30H42O7 514.293053 NA MeJP NA NA +MJ076134 Neolaulimalide C30H42O7 514.293053 NA MeJP NA NA +MJ076135 Petuniolide B; 12-Ketone C30H42O7 514.293053 NA MeJP NA NA +MJ076136 Prasinic acid; 2'-Me ether C30H42O7 514.293053 NA MeJP NA NA +MJ076137 Pregnane-3,12,14,17,20-pentol, 20-Benzoyl, 12-Ac C30H42O7 514.293053 NA MeJP NA NA +MJ076138 Pregnane-3,8,12,14,17,20-hexol, 12-Cinnamoyl C30H42O7 514.293053 NA MeJP NA NA +MJ076139 Pseudolarolide H C30H42O7 514.293053 NA MeJP NA NA +MJ076140 Sodagnitin E; 12-Oxo C30H42O7 514.293053 NA MeJP NA NA +MJ076141 Stigmatellin A C30H42O7 514.293053 NA MeJP NA NA +MJ076142 Withacnistin; 24?,25?-Dihydro C30H42O7 514.293053 NA MeJP NA NA +MetaCyc03755 cucurbitacin I [] C30H42O7 514.293054 NA metacyc NA NA +C08800 Cucurbitacin I C30H42O7 514.2931 NA KEGG NA NA +C12148 Stigmatellin A C30H42O7 514.2931 NA KEGG NA NA +MJ076143 Cholest-7-ene-3,5,6,9-tetrol, 6-Sulfate C27H46O7S 514.296424 NA MeJP NA NA +PJ003432 SPRR C20H38N10O6 514.2976 NA PeJP NA NA +MJ076144 Hennoxazole A C29H42N2O6 514.304287 NA MeJP NA NA +MJ076145 Flavidulol C C34H42O4 514.308309 NA MeJP NA NA +5476 antimicrobial peptide from cathepsin G (human) IIGGR 514.311 ACE inhibitor Inhouse_peptide NA peptide +PJ003433 GPTLK C23H42N6O7 514.3115 NA PeJP NA NA +8315 Anticancer peptide NLHLPLPLL 514.31245 MH2+ Inhouse_peptide NA peptide +MJ076146 Cholest-24-ene-3,4,5,6,7,8,14,15,26-nonol C27H46O9 514.314183 NA MeJP NA NA +MJ076147 Daechuine S7 C28H42N4O5 514.31552 NA MeJP NA NA +MJ076148 Sativanine G C28H42N4O5 514.31552 NA MeJP NA NA +MJ076149 Zizyphus mucronata Alkaloid C28H42N4O5 514.31552 NA MeJP NA NA +PJ003434 VLQR C22H42N8O6 514.3228 NA PeJP NA NA +MJ076150 Serratamolide C26H46N2O8 514.325416 NA MeJP NA NA +MJ076151 16,28-Dihydroxy-24-methylene-3,4-secolanost-4(29),7,9(11)-triene-3,21-dioic acid; 16?-form C31H46O6 514.329439 NA MeJP NA NA +MJ076152 3,12-Dihydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oic acid, Et ester C31H46O6 514.329439 NA MeJP NA NA +MJ076153 3,16-Dihydroxy-12,19(29)-ursadiene-27,28-dioic acid, 3-Me ether C31H46O6 514.329439 NA MeJP NA NA +MJ076154 3,16-Dihydroxyfusida-9(11),17(20)-dien-21-oic acid, 16-Ac, 12-Hydroxy C31H46O6 514.329439 NA MeJP NA NA +MJ076155 3,16-Dihydroxyfusida-9(11),17(20)-dien-21-oic acid, 16-Ac, 9?,11?-Epoxide C31H46O6 514.329439 NA MeJP NA NA +MJ076156 3,24,25-Trihydroxy-12-oxo-13,15,17(20),22-isomalabaricatetraen-29-oic acid, 24-Me ether C31H46O6 514.329439 NA MeJP NA NA +MJ076157 30(8?9)-Abeo-3,11,16-trihydroxyfusida-7,17(20),24-trien-21-oic acid, 16-Ac C31H46O6 514.329439 NA MeJP NA NA +MJ076158 Fusidic acid; 11-Ketone C31H46O6 514.329439 NA MeJP NA NA +MJ076159 Fusidic acid; 3-Ketone C31H46O6 514.329439 NA MeJP NA NA +MJ076160 Milbemycin ?1; 28-Deoxy, 5-O-de-Me C31H46O6 514.329439 NA MeJP NA NA +MJ076161 Murrangatin, 2'-O-Hexadecanoyl C31H46O6 514.329439 NA MeJP NA NA +MJ076162 Poricoic acid D C31H46O6 514.329439 NA MeJP NA NA +PJ003435 ALRR C21H42N10O5 514.334 NA PeJP NA NA +PJ003436 AALLK C24H46N6O6 514.3479 NA PeJP NA NA +PJ003437 VLKR C23H46N8O5 514.3591 NA PeJP NA NA +MJ076163 1,3-Dihydroxy-20(29)-lupen-26-oic acid, 1-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076164 12-Hydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Hydroxypentanoyl) C32H50O5 514.365824 NA MeJP NA NA +MJ076165 12-Hydroxy-20,24-dimethyl-24-oxo-16-scalaren-25-al, 12-(3-Hydroxypentanoyl) C32H50O5 514.365824 NA MeJP NA NA +MJ076166 12-Oleanene-3,16,22,28-tetrol, 28-Aldehyde, 16-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076167 16,26-Dihydroxy-1,3-friedelanedione; 16?-form, 16-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076168 2,3,13-Trihydroxy-28-lupanoic acid, 28?13 Lactone, 3-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076169 2,3-Dihydroxy-12-oleanen-28-oic acid, 3-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076170 2,3-Dihydroxy-12-ursen-28-oic acid, 2-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076171 24,25-Epoxy-23-hydroxyprotost-13(17)-en-3-one, 13?,17?-Epoxide, Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076172 3,11-Dihydroxy-12-ursen-24-oic acid, 3-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076173 3,12,13-Trihydroxy-28-oleananoic acid, 28?13 Lactone, 3-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076174 3,16-Dihydroxylanosta-8,24-dien-21-oic acid, 3-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076175 3,19-Dihydroxy-12-oleanen-28-oic acid, 3-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076176 3,20-Dihydroxy-12-ursen-28-oic acid, 20-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076177 3,20-Dihydroxy-7-lanosten-18,16-olide, 20-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076178 3,24-Dihydroxylanosta-8,25-dien-21-oic acid, 3-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076179 3,29-Dihydroxy-12-oleanen-28-oic acid, 3-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076180 3,29-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 3-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076181 3,6-Dihydroxy-12-oleanen-28-oic acid, 6-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076182 3-Hydroxy-12-oleanene-23,28-dioic acid, Di-Me ester C32H50O5 514.365824 NA MeJP NA NA +MJ076183 3-Hydroxy-12-oleanene-28,29-dioic acid, 29-Et ester C32H50O5 514.365824 NA MeJP NA NA +MJ076184 3-Hydroxy-12-oleanene-28,29-dioic acid, Di-Me ester C32H50O5 514.365824 NA MeJP NA NA +MJ076185 7,19,28-Trihydroxy-9(11)-arborinen-3-one, 28-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076186 Alisol B; 23-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076187 Aphanamixin C32H50O5 514.365824 NA MeJP NA NA +MJ076188 Dysoxylic acid A C32H50O5 514.365824 NA MeJP NA NA +MJ076189 Frondogenin C32H50O5 514.365824 NA MeJP NA NA +MJ076190 Holost-8-ene-3,23-diol, 23-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076191 Holost-9(11)-ene-3,23-diol, 23-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076192 Holosta-8,25-dien-3-ol, 25?,26-Dihydro, 23-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076193 Melianol; 3-Ac C32H50O5 514.365824 NA MeJP NA NA +MJ076194 Radermasinin C32H50O5 514.365824 NA MeJP NA NA +MJ076195 24-Methylenelanost-8-ene-3,22,23-triol, 22-Ac C33H54O4 514.40221 NA MeJP NA NA +MJ076196 3,11-Dihydroxy-7-drimen-6-one, 3-Deoxy, 7?,8?-epoxy, 11-(9,12-octadecadienoyl) C33H54O4 514.40221 NA MeJP NA NA +MJ076197 5,14:7,8-Diepoxy-5-marasmanol, 9Z-Octadecenoyl C33H54O4 514.40221 NA MeJP NA NA +MJ076198 Pisosterol C33H54O4 514.40221 NA MeJP NA NA +MJ076199 Buxidienine I; 16-Deoxy, N3,N20,N20-tri-Me, N3-(2S-hydroxy-3-methylbutanoyl) C32H54N2O3 514.413443 NA MeJP NA NA +MJ076200 3-(4-Hydroxyphenyl)-2-propenoic acid, Pentacosyl ester C34H58O3 514.438595 NA MeJP NA NA +MJ076201 5-Methyl-3-(11,15,19-triacontatrienyl)-2(5H)-furanone, 19',20'-Dihydro C35H62O2 514.474981 NA MeJP NA NA +3423 ACE inhibitor QVSLNSGYY 514.73195 MH2+ Inhouse_peptide NA peptide +C04674 3-D-Glucuronosyl-N2,6-disulfo-beta-D-glucosamine C12H21NO17S2 515.0251 NA KEGG NA NA +MetaCyc03756 3-ADP-glycerate [] C13H19N5O13P2 515.045459 NA metacyc NA NA +MetaCyc03757 lacty (2) diphospho-(5')guanosine [guanosine(5')-diphospho-L-lactate;LPPG;] C13H19N5O13P2 515.045459 NA metacyc NA NA +C02509 3-(ADP)-glycerate C13H19N5O13P2 515.0455 NA KEGG NA NA +C11203 Cefozopran C19H17N9O5S2 515.0794 NA KEGG NA NA +C11204 Transferred to D01053 C19H17N9O5S2 515.0794 NA KEGG NA NA +C11205 Hexadimethrine bromide C19H17N9O5S2 515.0794 NA KEGG NA NA +MJ076202 Cefozopran C19H17N9O5S2 515.079406 NA MeJP NA NA +PJ003438 GCCCM C16H29N5O6S4 515.1001 NA PeJP NA NA +C18033 dTDP-4-amino-2,3,4,6-tetradeoxy-D-glucose C16H27N3O12P2 515.107 NA KEGG NA NA +PJ003439 STCCC C16H29N5O8S3 515.1178 NA PeJP NA NA +MJ076203 Dynemicin P C28H21NO9 515.121631 NA MeJP NA NA +MJ076204 Bulgecin B C17H29N3O13S 515.142108 NA MeJP NA NA +PJ003440 CCQY C20H29N5O7S2 515.1509 NA PeJP NA NA +MJ076205 Lamellarin H; 5,6-Dihydro, 8,9,13,21-tetra-Me ether C29H25NO8 515.158016 NA MeJP NA NA +MJ076206 Lamellarin H; 5,6-Dihydro, 9,12,13,21-tetra-Me ether C29H25NO8 515.158016 NA MeJP NA NA +MJ076207 Neoacrimarine F; 6-Deoxy C29H25NO8 515.158016 NA MeJP NA NA +PJ003441 GPCCH C19H29N7O6S2 515.1621 NA PeJP NA NA +PJ003442 GSSCY C20H29N5O9S 515.1686 NA PeJP NA NA +C12431 13-Dihydrocarminomycin C26H29NO10 515.1791 NA KEGG NA NA +MJ076208 Carminomycinol C26H29NO10 515.179146 NA MeJP NA NA +MJ076209 Feudomycin A; 1-Hydroxy, O-de-Me C26H29NO10 515.179146 NA MeJP NA NA +MJ076210 Feudomycin C; 10?-Hydroxy C26H29NO10 515.179146 NA MeJP NA NA +MJ076211 Oxaunomycin C26H29NO10 515.179146 NA MeJP NA NA +MJ076212 Parfumine; ?-D-Glucoside C26H29NO10 515.179146 NA MeJP NA NA +MJ076213 ?-Rhodomycinone; 10-Epimer, 7-O-(3-amino-2,3,6-trideoxy-?-L-lyxo-hexopyranoside) C26H29NO10 515.179146 NA MeJP NA NA +PJ003443 NDMH C19H29N7O8S 515.1799 NA PeJP NA NA +PJ003444 CCKY C21H33N5O6S2 515.1872 NA PeJP NA NA +MJ076214 Desalicetin; N,O7-Di-de-Me, 2'-(4-amino-2-hydroxybenzoyl) C22H33N3O9S 515.19375 NA MeJP NA NA +PJ003445 ACHW C23H29N7O5S 515.1951 NA PeJP NA NA +PJ003446 GSSEH C19H29N7O10 515.1976 NA PeJP NA NA +PJ003447 GNYY C24H29N5O8 515.2016 NA PeJP NA NA +MJ076215 Antibiotic SF 2513; Antibiotic SF 2513A C22H34N3O9P 515.203266 NA MeJP NA NA +PJ003448 GPPDM C21H33N5O8S 515.205 NA PeJP NA NA +PJ003449 SSHW C23H29N7O7 515.2129 NA PeJP NA NA +MJ076216 Actinoflavoside C27H33NO9 515.215531 NA MeJP NA NA +PJ003450 TQMH C20H33N7O7S 515.2162 NA PeJP NA NA +HMDB06595 A-Trisaccharide C20H37NO14 515.22137 http://www.hmdb.ca/metabolites/HMDB06595 HMDB NA NA +HMDB06595 A-Trisaccharide C20H37NO14 515.22137 HMDB06595 PFEM_hmdb_metabocards_official NA NA +HMDB06595 Alpha-Trisaccharide C20H37NO14 515.221375 NA HMDB2010 NA NA +PJ003451 AAPEE C21H33N5O10 515.2228 NA PeJP NA NA +MJ076217 Malformin; Malformin A2 C22H37N5O5S2 515.22361 NA MeJP NA NA +MJ076218 Malformin; Malformin A4 C22H37N5O5S2 515.22361 NA MeJP NA NA +MJ076219 Malformin; Malformin B2 C22H37N5O5S2 515.22361 NA MeJP NA NA +PJ003452 TCHR C19H33N9O6S 515.2275 NA PeJP NA NA +PJ003453 PDER C20H33N7O9 515.234 NA PeJP NA NA +MJ076220 Astin J C25H33N5O7 515.237998 NA MeJP NA NA +PJ003454 PVDW C25H33N5O7 515.238 NA PeJP NA NA +PJ003455 APPTM C22H37N5O7S 515.2414 NA PeJP NA NA +PJ003456 VNHF C24H33N7O6 515.2493 NA PeJP NA NA +MJ076221 Alkaloid GB11; 14,16-Di-Ac C28H37NO8 515.251917 NA MeJP NA NA +MJ076222 Harringtonine; 5'-Deoxy C28H37NO8 515.251917 NA MeJP NA NA +MJ076223 Isonargenicin A1 C28H37NO8 515.251917 NA MeJP NA NA +MJ076224 Nodusmicin; 9-(1H-Pyrrole-2-carboxylate) C28H37NO8 515.251917 NA MeJP NA NA +MJ076225 Spirodihydrobenzofuranlactam I; N-(1,3-Dicarboxypropyl) C28H37NO8 515.251917 NA MeJP NA NA +PJ003457 TKMH C21H37N7O6S 515.2526 NA PeJP NA NA +PJ003458 PPTTT C22H37N5O9 515.2591 NA PeJP NA NA +PJ003459 GPTLE C22H37N5O9 515.2592 NA PeJP NA NA +3425 ACE inhibitor NRVYVHPF 515.26045 MH2+ Inhouse_peptide NA peptide +PJ003460 GHFR C23H33N9O5 515.2605 NA PeJP NA NA +2828 PEP inhibitor PPAYPPPPVP 515.266 MH2+ Inhouse_peptide NA peptide +PJ003461 GSPQK C21H37N7O8 515.2704 NA PeJP NA NA +7745 ACE inhibitor RMLGQTPTK 515.2722 MH2+ Inhouse_peptide NA peptide +MJ076226 N-[5-[(1,6-Dihydro-2-hydroxy-5-octanamido-6-oxo-3-pyridyl)imino]-1,2,5,6-tetrahydro-2,6-dioxo-3-pyridyl]octanamide C26H37N5O6 515.274383 NA MeJP NA NA +PJ003462 PTLW C26H37N5O6 515.2744 NA PeJP NA NA +18 Troponin C RMLGQTPTK 515.2745 MH2+ Inhouse_peptide NA peptide +PJ003463 GPVLM C23H41N5O6S 515.2778 NA PeJP NA NA +PJ003464 VNQR C20H37N9O7 515.2816 NA PeJP NA NA +PJ003465 PPFR C25H37N7O5 515.2856 NA PeJP NA NA +MJ076227 Candoxatrilat; 2-(5-Indanyl) ester C29H41NO7 515.288302 NA MeJP NA NA +MJ076228 Pregnane-3,11,12,14,20-pentol, 11-O-(3-Pyridinecarboxylate), 12-Ac C29H41NO7 515.288302 NA MeJP NA NA +PJ003466 PLMR C22H41N7O5S 515.289 NA PeJP NA NA +MJ076229 Taurocholic acid C26H45NO7S 515.291673 NA MeJP NA NA +MJ076230 Taurocholate C26H45NO7S 515.291673 NA MeJP NA NA +MetaCyc03758 taurocholate [2-(((3α,5β,7α,12α)-3,7,12-Trihydroxy-24- oxocholan-24-yl)amino)ethanesulphonic acid;2-(((3α,5β,7α,12α)-3,7,12-Trihydroxy-24- oxocholan-24-yl)amino)ethanesulfonic acid;2-((3-α,7-α,12-α-trihydroxy-24-oxo-5-β-cholan- 24-yl)amino)ethanesulfonic acid;3α,7α,12α-trihydroxy-5β-cholanic acid 24-taurine;acidum cholatauricum;cholaic acid;cholyltaurine;ethanesulfonic acid, 2-(((3α,5β,7α,12α)-3,7,12- trihydroxy-24-oxocholan-24-yl)amino)-;N-choloyltaurine;N-choloyl-taurine;] C26H45N1O7S1 515.291673 NA metacyc NA NA +LABER091 Taurocholic acid NA 515.291687 RT 25.03 PFEM_hmdb_metabocards_urine NA urine +LABER091 Taurocholic acid NA 515.291687 RT 25.03 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER091 Taurocholic acid NA 515.291687 RT 25.03 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER091 Taurocholic acid NA 515.291687 RT 25.03 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER091 Taurocholic acid NA 515.291687 RT 25.03 HMDB NA NA +HMDB00036 Taurocholic acid C26H45NO7S 515.291687 NA HMDB2010 NA NA +HMDB00889 Tauroursocholic acid C26H45NO7S 515.291687 NA HMDB2010 NA NA +HMDB00922 Taurallocholic acid C26H45NO7S 515.291687 NA HMDB2010 NA NA +HMDB00932 Tauro-b-muricholic acid C26H45NO7S 515.291687 NA HMDB2010 NA NA +HMDB11637 Taurohyocholate C26H45NO7S 515.291687 NA HMDB2010 NA NA +LABER091 Taurocholic acid NA 515.291687 RT 25.03 Inhouse_PFEM NA NA +LABER091 Taurocholic acid NA 515.291687 RT 25.03 Inhousejuil11 NA NA +LABER091 Taurocholic acid NA 515.291687 RT 25.03 PFEM_hmdb_metabocards_blood NA blood +LABER091 Taurocholic acid NA 515.291687 RT 25.03 PFEM_hmdb_metabocards_official NA NA +HMDB00036 Taurocholic acid C26H45NO7S 515.29169 http://www.hmdb.ca/metabolites/HMDB00036 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00036 Taurocholic acid C26H45NO7S 515.29169 http://www.hmdb.ca/metabolites/HMDB00036 HMDB NA NA +HMDB00889 Tauroursocholic acid C26H45NO7S 515.29169 http://www.hmdb.ca/metabolites/HMDB00889 HMDB NA NA +HMDB00922 Taurallocholic acid C26H45NO7S 515.29169 http://www.hmdb.ca/metabolites/HMDB00922 HMDB NA NA +HMDB00932 Tauro-b-muricholic acid C26H45NO7S 515.29169 http://www.hmdb.ca/metabolites/HMDB00932 HMDB NA NA +HMDB00036 Taurocholic acid C26H45NO7S 515.29169 http://www.hmdb.ca/metabolites/HMDB00036 PFEM_hmdb_metabocards_blood NA blood +HMDB00036 Taurocholic acid C26H45NO7S 515.29169 HMDB00036 PFEM_hmdb_metabocards_official NA NA +HMDB00889 Tauroursocholic acid C26H45NO7S 515.29169 HMDB00889 PFEM_hmdb_metabocards_official NA NA +HMDB00922 Taurallocholic acid C26H45NO7S 515.29169 HMDB00922 PFEM_hmdb_metabocards_official NA NA +HMDB00932 Tauro-b-muricholic acid C26H45NO7S 515.29169 HMDB00932 PFEM_hmdb_metabocards_official NA NA +EUR644 Taurocholic acid [M-H]- 515.2917 identifies dans standard mixture NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR644 Taurocholic acid [M-H]- 515.2917 identifies dans standard mixture NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR644 Taurocholic acid [M-H]- 515.2917 identifies dans standard mixture NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR644 Taurocholic acid [M-H]- 515.2917 identifies dans standard mixture NuGO Inhousejuil11 NA NA +C05122 Taurocholate C26H45NO7S 515.2917 NA KEGG NA NA +C15516 Taurohyocholate C26H45NO7S 515.2917 NA KEGG NA NA +MLBis023 Taurocholic acid HMDB00036_RT9.69_add498,480,462 515.2923 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis023 Taurocholic acid HMDB00036_RT9.69_add498,480,462 515.2923 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis023 Taurocholic acid HMDB00036_RT9.69_add498,480,462 515.2923 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis023 Taurocholic acid HMDB00036_RT9.69_add498,480,462 515.2923 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis023 Taurocholic acid HMDB00036_RT9.69_add498,480,462 515.2923 Mlbis HMDB NA NA +MLBis023 Taurocholic acid HMDB00036_RT9.69_add498,480,462 515.2923 Mlbis Inhouse_PFEM NA NA +MLBis023 Taurocholic acid HMDB00036_RT9.69_add498,480,462 515.2923 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis023 Taurocholic acid HMDB00036_RT9.69_add498,480,462 515.2923 Mlbis PFEM_hmdb_metabocards_official NA NA +PJ003467 GQRR C19H37N11O6 515.2929 NA PeJP NA NA +JH235 Taurocholic acid [M+H]+ C26H45NO7S 515.2943 25.3 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH235 Taurocholic acid [M+H]+ C26H45NO7S 515.2943 25.3 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH235 Taurocholic acid [M+H]+ C26H45NO7S 515.2943 25.3 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH235 Taurocholic acid [M+H]+ C26H45NO7S 515.2943 25.3 Inhousejuil11 NA NA +PJ003468 AALLE C23H41N5O8 515.2955 NA PeJP NA NA +EUR720 Lyso PC 16:1 [M+Na]+ C24H48NO7P 515.298788 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR720 Lyso PC 16:1 [M+Na]+ C24H48NO7P 515.298788 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR720 Lyso PC 16:1 [M+Na]+ C24H48NO7P 515.298788 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR720 Lyso PC 16:1 [M+Na]+ C24H48NO7P 515.298788 masses lipides attendues Inhousejuil11 NA NA +MJ076231 Ciliatocholic acid C26H46NO7P 515.301189 NA MeJP NA NA +EUR744 Lyso PC 18:4 monoisotopic mass C26H46NO7P 515.301192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR906 Lyso PE 22:4 [M-H-CH3]- C27H48NO7P 515.301192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR744 Lyso PC 18:4 monoisotopic mass C26H46NO7P 515.301192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR906 Lyso PE 22:4 [M-H-CH3]- C27H48NO7P 515.301192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR744 Lyso PC 18:4 monoisotopic mass C26H46NO7P 515.301192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR906 Lyso PE 22:4 [M-H-CH3]- C27H48NO7P 515.301192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR744 Lyso PC 18:4 monoisotopic mass C26H46NO7P 515.301192 masses lipides attendues Inhousejuil11 NA NA +EUR906 Lyso PE 22:4 [M-H-CH3]- C27H48NO7P 515.301192 masses lipides attendues Inhousejuil11 NA NA +C05683 2-Aminoethylphosphocholate C26H46NO7P 515.3012 NA KEGG NA NA +HMDB10389 LysoPC(18:4(6Z,9Z,12Z,15Z)) C26H46NO7P 515.301208 NA HMDB2010 NA NA +PJ003469 VLER C22H41N7O7 515.3068 NA PeJP NA NA +PJ003470 VVLW C27H41N5O5 515.3108 NA PeJP NA NA +PJ003471 VNKR C21H41N9O6 515.318 NA PeJP NA NA +MJ076232 Nephilatoxin 12 C26H41N7O4 515.322002 NA MeJP NA NA +MJ076233 Delaminomycin A; 5'-Me ether C30H45NO6 515.324688 NA MeJP NA NA +PJ003472 GKRR C20H41N11O5 515.3292 NA PeJP NA NA +PJ003473 GTLLL C24H45N5O7 515.3319 NA PeJP NA NA +MJ076234 Beauvellide C29H45N3O5 515.335921 NA MeJP NA NA +MJ076235 Beauveriolide II C29H45N3O5 515.335921 NA MeJP NA NA +MJ076236 Beauverolide E C29H45N3O5 515.335921 NA MeJP NA NA +MJ076237 Beauverolide I C29H45N3O5 515.335921 NA MeJP NA NA +MJ076238 Beauverolide La C29H45N3O5 515.335921 NA MeJP NA NA +PJ003474 LQKK C23H45N7O6 515.3431 NA PeJP NA NA +PJ003475 GALKK C23H45N7O6 515.3432 NA PeJP NA NA +MJ076239 3,6,14-Cevanetriol, 3,6-Di-Ac C31H49NO5 515.361073 NA MeJP NA NA +MJ076240 Ambruticin VS 5; N,N,N-Tri-Me C31H49NO5 515.361073 NA MeJP NA NA +PJ003476 LKKK C24H49N7O5 515.3795 NA PeJP NA NA +MJ076241 3,5-Diacyl-1,4-dihydro-4-nonylpyridines; 3,5-Didecanoyl-1,4-dihydro-4-nonylpyridine C34H61NO2 515.47023 NA MeJP NA NA +MJ076242 1,1,2,4,4-Pentabromo-1-octen-3-one C8H9Br5O 515.657028 NA MeJP NA NA +2626 synthetic fr,of human beta-CN (55-63) ACE inhibitor EPIPYGFLP 515.759 MH2+ Inhouse_peptide NA peptide +7319 celiac sprue gluten epitope from gamma-gliadin PLPQPQQPQ 515.762 MH2+ Inhouse_peptide NA peptide +7399 celiac sprue gluten epitope found in secalin PQPQQPIPQ 515.762 MH2+ Inhouse_peptide NA peptide +8147 peptide derived from rice bran proteins (Oryza sativa) VLEANPRSF 515.76345 MH2+ Inhouse_peptide NA peptide +MJ076243 2,2,2-Trichloro-1,1-ethanediol; Phenazone complex C15H18Cl6N2O5 515.934687 NA MeJP NA NA +MJ076244 Thiocarbamizine C21H17AsN2O5S2 515.979484 NA MeJP NA NA +MJ076245 Xanthomonadin I C24H22Br2O3 515.993569 NA MeJP NA NA +MJ076246 Purealidin H; O4-(3-Aminopropyl) C17H22Br2N6O3 516.012013 NA MeJP NA NA +MJ076247 Turbotoxin A; N9-De-Me C16H27I2N2O(+) 516.01345 NA MeJP NA NA +MJ076248 Nitrocefin C21H16N4O8S2 516.040954 NA MeJP NA NA +MJ076249 Antibiotic DC 1149B C20H21ClN2O8S2 516.042784 NA MeJP NA NA +MJ076250 Trisjuglone C30H12O9 516.048131 NA MeJP NA NA +MJ076251 Laurencianol C20H35Br2ClO3 516.064147 NA MeJP NA NA +MJ076252 Edgeworthin; 8-Hydroxy, 7-O-?-D-glucopyranoside C24H20O13 516.09039 NA MeJP NA NA +MJ076253 Leprocybin C24H20O13 516.09039 NA MeJP NA NA +C12447 dTDP-beta-L-rhodinose C16H26N2O13P2 516.091 NA KEGG NA NA +MJ076254 Bacillosporin B; 16-Ac C28H20O10 516.105646 NA MeJP NA NA +MJ076255 Dicyperaquinone E; Monodeoxy C28H20O10 516.105646 NA MeJP NA NA +MJ076256 Ustilaginoidin A, 2,3-Dihydro C28H20O10 516.105646 NA MeJP NA NA +FL3FAACS0080 2'',6''-Di-O-Acetyl isovitexin C25H24O12 516.12677 172286-93-0 knapsack NA NA +FL3FAAGS0048 Apigenin 7-(2'',3''-diacetylglucoside) C25H24O12 516.12677 84323-20-6 knapsack NA NA +FL3FAAGS0049 Apigenin 7-(3'',4''-diacetylglucoside) C25H24O12 516.12677 84323-21-7 knapsack NA NA +FL5FAAGS0052 Kaempferol 3-(2'',4''-diacetylrhamnoside) C25H24O12 516.12677 133882-73-2 knapsack NA NA +FL5FAAGS0053 Kaempferol 3-(3'',4''-diacetylrhamnoside) C25H24O12 516.12677 77307-50-7 knapsack NA NA +FLIA1AGS0008 Formononetin 7-O-glucoside-6''-malonate;Formononetin 7-O-(6''-malonylglucoside) C25H24O12 516.12677 34232-16-1 knapsack NA NA +MJ076257 1,3-Di-O-caffeoylquinic acid C25H24O12 516.126776 NA MeJP NA NA +MJ076258 1,4-Di-O-caffeoylquinic acid C25H24O12 516.126776 NA MeJP NA NA +MJ076259 1,5-Di-O-caffeoylquinic acid C25H24O12 516.126776 NA MeJP NA NA +MJ076260 3,4-Di-O-caffeoylquinic acid C25H24O12 516.126776 NA MeJP NA NA +MJ076261 3,5-Di-O-caffeoylquinic acid C25H24O12 516.126776 NA MeJP NA NA +MJ076262 4,5-Di-O-caffeoylquinic acid C25H24O12 516.126776 NA MeJP NA NA +MJ076263 7-Hydroxy-4'-methoxyisoflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) C25H24O12 516.126776 NA MeJP NA NA +MJ076264 Afzelin; 2'',4''-Di-Ac C25H24O12 516.126776 NA MeJP NA NA +MJ076265 Afzelin; 3'',4''-Di-Ac C25H24O12 516.126776 NA MeJP NA NA +MJ076266 Astragalin; 6''-O-(2-Butenoyl) C25H24O12 516.126776 NA MeJP NA NA +MJ076267 Cosmosiin; 2'',3''-Di-Ac C25H24O12 516.126776 NA MeJP NA NA +MJ076268 Cosmosiin; 3'',4''-Di-Ac C25H24O12 516.126776 NA MeJP NA NA +MJ076269 Isovitexin; 2'',6''-Di-Ac C25H24O12 516.126776 NA MeJP NA NA +MJ076270 Vitisidin B; 3-O-?-D-Glucopyranoside C25H25O12(+) 516.126776 NA MeJP NA NA +MetaCyc03759 formononetin-7-O-glucoside-6''-malonate [] C25H24O12 516.126776 NA metacyc NA NA +C10445 1,3-Dicaffeoylquinic acid C25H24O12 516.1268 NA KEGG NA NA +C10468 Isochlorogenic acid b C25H24O12 516.1268 NA KEGG NA NA +C16222 Formononetin 7-O-glucoside-6''-O-malonate C25H24O12 516.1268 NA KEGG NA NA +MJ076271 ?-D-Galactopyranuronosyl-(1?3)-?-D-galactopyranuronosyl-(1?3)-L-rhamnose C18H28O17 516.132649 NA MeJP NA NA +MJ076272 ?-D-Glucopyranuronosyl-(1?3)-?-D-galactopyranuronosyl-(1?2)-L-rhamnose C18H28O17 516.132649 NA MeJP NA NA +MJ076273 ?-D-Glucopyranuronosyl-(1?3)-?-D-galactopyranuronosyl-(1?2)-L-rhamnose C18H28O17 516.132649 NA MeJP NA NA +C12712 Carindacillin sodium C26H25N2O6S 516.1331 NA KEGG NA NA +C12713 Transferred to D01284 C26H25N2O6S 516.1331 NA KEGG NA NA +C12714 Transferred to D01285 C26H25N2O6S 516.1331 NA KEGG NA NA +C12715 Transferred to D01286 C26H25N2O6S 516.1331 NA KEGG NA NA +C12716 Transferred to D01287 C26H25N2O6S 516.1331 NA KEGG NA NA +PJ003477 CCEY C20H28N4O8S2 516.1349 NA PeJP NA NA +HMDB00632 Dermatan C18H30NO14S 516.13867 http://www.hmdb.ca/metabolites/HMDB00632 HMDB NA NA +HMDB00632 Dermatan C18H30NO14S 516.13867 HMDB00632 PFEM_hmdb_metabocards_official NA NA +HMDB00632 Dermatan C18H30NO14S 516.138672 NA HMDB2010 NA NA +FL4DACNC0003 Gericudranin A C29H24O9 516.14203 169592-15-8 knapsack NA NA +MJ076274 3,3',4',5,7-Pentahydroxy-6,8-bis(4-hydroxybenzyl)flavanone C29H24O9 516.142032 NA MeJP NA NA +MJ076275 Ustilaginoidin E C29H24O9 516.142032 NA MeJP NA NA +MJ076276 Viburnolide C; Me ester C22H28O14 516.147905 NA MeJP NA NA +MJ076277 Cloticasone; 17-Propanoyl C25H31ClF2O5S 516.154878 NA MeJP NA NA +MetaCyc03760 S-hydroxymethylmycothiol [] C18H32N2O13S1 516.16251 NA metacyc NA NA +FL3FAACS0086 Vitexin 2''-O-(2'''-methylbutyryl) C26H28O11 516.16316 681152-43-2 knapsack NA NA +FL5FAAGI0003 Epimedoside C C26H28O11 516.16316 55394-98-4 knapsack NA NA +MJ076278 2',4',5,7-Tetrahydroxy-3'-prenylisoflavone; 4'-O-?-D-Glucopyranoside C26H28O11 516.163161 NA MeJP NA NA +MJ076279 2',4',5,7-Tetrahydroxy-3'-prenylisoflavone; 7-O-?-D-Glucopyranoside C26H28O11 516.163161 NA MeJP NA NA +MJ076280 2',4',5,7-Tetrahydroxy-6-prenylisoflavone; 7-O-?-D-Glucopyranoside C26H28O11 516.163161 NA MeJP NA NA +MJ076281 3,4',5,7-Tetrahydroxy-8-prenylflavone; 7-O-?-D-Glucopyranoside C26H28O11 516.163161 NA MeJP NA NA +MJ076282 Jasmolactone C; 3'-Hydroxy C26H28O11 516.163161 NA MeJP NA NA +MJ076283 Mutactimycin A; Di-O-de-Me C26H28O11 516.163161 NA MeJP NA NA +MJ076284 Perforatinolone C26H28O11 516.163161 NA MeJP NA NA +MJ076285 Steffimycin; 9-Demethoxy, 7-deoxo, 2'-O-de-Me C26H28O11 516.163161 NA MeJP NA NA +PJ003478 DDMH C19H28N6O9S 516.1639 NA PeJP NA NA +PJ003479 TCMY C21H32N4O7S2 516.1713 NA PeJP NA NA +PJ003480 GSCNH C18H28N8O8S 516.1751 NA PeJP NA NA +C10721 Rottlerin C30H28O8 516.1784 NA KEGG NA NA +FL1C1ANI0028 Gemichalcone A;3'-(4-Feruloyloxy-3-methylbutyl-2(Z)-enyl)-4,2',4'-trihydroxychalcone C30H28O8 516.17841 189031-25-2 knapsack NA NA +FL1CRTNP0001 Rottlerin C30H28O8 516.17841 82-08-6 knapsack NA NA +MJ076286 Eleuterogonzalone C30H28O8 516.178417 NA MeJP NA NA +MJ076287 Gemichalcone A C30H28O8 516.178417 NA MeJP NA NA +MJ076288 Gnetifolin D C30H28O8 516.178417 NA MeJP NA NA +MJ076289 Gnetifolin O; (E)-Isomer, 1-deoxy C30H28O8 516.178417 NA MeJP NA NA +MJ076290 Isoallorottlerin C30H28O8 516.178417 NA MeJP NA NA +MJ076291 Microcybin C30H28O8 516.178417 NA MeJP NA NA +MJ076292 Rottlerin C30H28O8 516.178417 NA MeJP NA NA +PJ003481 GPNDD C19H28N6O11 516.1816 NA PeJP NA NA +MJ076293 Ussurienoside I C23H32O13 516.184291 NA MeJP NA NA +PJ003482 GDYY C24H28N4O9 516.1856 NA PeJP NA NA +MJ076294 Ipobscurine C C29H28N2O7 516.189651 NA MeJP NA NA +C08440 Phaseolotoxin C14H33N10O7PS 516.1992 NA KEGG NA NA +C08766 Harrisonin C27H32O10 516.1995 NA KEGG NA NA +C09551 Spicatin C27H32O10 516.1995 NA KEGG NA NA +MJ076295 1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 6,9-Bis(3-furancarbonyl), 1-Ac C27H32O10 516.199547 NA MeJP NA NA +MJ076296 10,14-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-O-[2-(2-Hydroxymethyl-2E-butenoyloxymethyl)-2E-butenoyl], 2-Ac C27H32O10 516.199547 NA MeJP NA NA +MJ076297 2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Angeloyl, 14-(3-methyl-2-butenoyl), 13-Ac C27H32O10 516.199547 NA MeJP NA NA +MJ076298 Baccharinoid B25 C27H32O10 516.199547 NA MeJP NA NA +MJ076299 Deacyltaiwanschirin; 10-(2-Methylbutanoyl) C27H32O10 516.199547 NA MeJP NA NA +MJ076300 Harrisonin C27H32O10 516.199547 NA MeJP NA NA +MJ076301 Khayanolide A C27H32O10 516.199547 NA MeJP NA NA +MJ076302 Leptolepisol D C27H32O10 516.199547 NA MeJP NA NA +PJ003483 TEMH C20H32N6O8S 516.2003 NA PeJP NA NA +MJ076303 Maysenine C27H33ClN2O6 516.202714 NA MeJP NA NA +PJ003484 GMFY C25H32N4O6S 516.2043 NA PeJP NA NA +MJ076304 ?-D-Galactopyranosyl-(1?4)-?-D-galactopyranosyl-(1?4)-L-rhamnose; 2',2''-Di-O-Me C20H36O15 516.20542 NA MeJP NA NA +MJ076305 Mitraphylline; Parent acid , 7-epimer, ?-D-glucopyranosyl ester C26H32N2O9 516.21078 NA MeJP NA NA +MJ076306 Mitraphylline; Parent acid, ?-D-glucopyranosyl ester C26H32N2O9 516.21078 NA MeJP NA NA +MJ076307 Strictosidine; Parent acid C26H32N2O9 516.21078 NA MeJP NA NA +MJ076308 Myxothiazole; Parent acid, Et ester C27H36N2O4S2 516.211649 NA MeJP NA NA +MJ076309 5-Hydroxy-6-(4-hydroxy-3-methyl-1-oxobutyl)-2,2-dimethyl-10-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one; 4''-Cinnamoyl C31H32O7 516.214803 NA MeJP NA NA +MJ076310 5-Hydroxy-6-(4-hydroxy-3-methyl-1-oxobutyl)-8,8-dimethyl-4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one; 4''-O-Cinnamoyl C31H32O7 516.214803 NA MeJP NA NA +MJ076311 Euchrenone b10 C31H32O7 516.214803 NA MeJP NA NA +MJ076312 Euchrenone b11 C31H32O7 516.214803 NA MeJP NA NA +MJ076313 Dolastatin I C24H32N6O5S 516.215488 NA MeJP NA NA +MJ076314 N-[2,3-Dihydro-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)urea C32H28N4O3 516.21614 NA MeJP NA NA +PJ003485 GSPQE C20H32N6O10 516.218 NA PeJP NA NA +PJ003486 VMMH C21H36N6O5S2 516.2189 NA PeJP NA NA +PJ003487 SHHH C21H28N10O6 516.2194 NA PeJP NA NA +PJ003488 ATYY C25H32N4O8 516.222 NA PeJP NA NA +MJ076315 Akuammiline; 5?,10-Dimethoxy, O-de-Ac, O-benzoyl C30H32N2O6 516.226036 NA MeJP NA NA +MJ076316 Picraline; 10-Methoxy, Na-Me, O-de-Ac, O-benzoyl C30H32N2O6 516.226036 NA MeJP NA NA +PJ003489 NQQQ C19H32N8O9 516.2292 NA PeJP NA NA +PJ003490 GGGAQQ C19H32N8O9 516.2293 NA PeJP NA NA +PJ003491 SPQW C24H32N6O7 516.2333 NA PeJP NA NA +MJ076317 1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 1-Cinnamoyl, 6,9-di-Ac C28H36O9 516.235932 NA MeJP NA NA +MJ076318 1,2,6,9-Tetrahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6-tri-Ac C28H36O9 516.235932 NA MeJP NA NA +MJ076319 1,2,9,14-Tetrahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,14-tri-Ac C28H36O9 516.235932 NA MeJP NA NA +MJ076320 1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 9-Cinnamoyl, 1-(hydroxyacetyl), 6-Ac C28H36O9 516.235932 NA MeJP NA NA +MJ076321 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6,8-tri-Ac C28H36O9 516.235932 NA MeJP NA NA +MJ076322 1,6,9,14-Tetrahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6,14-tri-Ac C28H36O9 516.235932 NA MeJP NA NA +MJ076323 1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,8,14-tri-Ac C28H36O9 516.235932 NA MeJP NA NA +MJ076324 6,7,11,15-Tetrahydroxy-1,16-kauradien-3-one, Tetra-Ac C28H36O9 516.235932 NA MeJP NA NA +MJ076325 Amoorastatone C28H36O9 516.235932 NA MeJP NA NA +MJ076326 Amoorstatin C28H36O9 516.235932 NA MeJP NA NA +MJ076327 Austalide B; 13-Ac C28H36O9 516.235932 NA MeJP NA NA +MJ076328 Citreohybriddione A C28H36O9 516.235932 NA MeJP NA NA +PJ003492 AAPQM C21H36N6O7S 516.2366 NA PeJP NA NA +PJ003493 GGGPVM C21H36N6O7S 516.2367 NA PeJP NA NA +PJ003494 GFFF C29H32N4O5 516.2373 NA PeJP NA NA +PJ003495 NNNR C18H32N10O8 516.2405 NA PeJP NA NA +7366 celiac sprue gluten epitope found in hordein PQPQQPNPQ 516.24145 MH2+ Inhouse_peptide NA peptide +MJ076329 Ajmaline; N-De-Me, 17-Ac, 21-O-?-D-glucopyranoside C27H36N2O8 516.247166 NA MeJP NA NA +MJ076330 Altoqualine C27H36N2O8 516.247166 NA MeJP NA NA +PJ003496 PNMR C20H36N8O6S 516.2479 NA PeJP NA NA +C13547 Norcholestenol iodomethyl (131 I) C27H45IO 516.2532 NA KEGG NA NA +7365 celiac sprue gluten epitope found in hordein PQPQEPIPQ 516.254 MH2+ Inhouse_peptide NA peptide +PJ003497 GSPKE C21H36N6O9 516.2544 NA PeJP NA NA +PJ003498 VNER C20H36N8O8 516.2656 NA PeJP NA NA +MJ076331 Streptothricin; Streptothricin F, N5-Me C20H36N8O8 516.26561 NA MeJP NA NA +PJ003499 GGGGAAK C20H36N8O8 516.2657 NA PeJP NA NA +PJ003500 SPKW C25H36N6O6 516.2697 NA PeJP NA NA +C08810 Ajugalactone C29H40O8 516.2723 NA KEGG NA NA +MJ076332 18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 2-(Methylpropenoyl), 6-Me ether, 18,19-di-Ac C29H40O8 516.272318 NA MeJP NA NA +MJ076333 2,6,10,14-Phytatetraene-1,16-diol, O-Fumaroyl, O-(2-methylfumaroyl) C29H40O8 516.272318 NA MeJP NA NA +MJ076334 4,9,13,16,20-Pentahydroxy-1,6-tigliadien-3-one, 16-(2-Methylpropanoyl), 13-angeloyl C29H40O8 516.272318 NA MeJP NA NA +MJ076335 Ajugalactone C29H40O8 516.272318 NA MeJP NA NA +MJ076336 Elaeodendroside B C29H40O8 516.272318 NA MeJP NA NA +MJ076337 Jaborotetrol; 12-Me ether C29H40O8 516.272318 NA MeJP NA NA +MJ076338 Lucidenic acid E2 C29H40O8 516.272318 NA MeJP NA NA +MJ076339 Petuniolide G C29H40O8 516.272318 NA MeJP NA NA +MJ076340 Physalactone C29H40O8 516.272318 NA MeJP NA NA +MJ076341 Trichoverrol A; 12,13-Deepoxy, 12,13-didehydro, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) C29H40O8 516.272318 NA MeJP NA NA +MJ076342 Trichoverrol A; 12,13-Deepoxy, 12,13-didehydro, 6'-epimer, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl), 2'E-isomer C29H40O8 516.272318 NA MeJP NA NA +MJ076343 Trichoverrol A; 7'-Epimer, 12,13-deepoxy, 12,13-didehydro, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) C29H40O8 516.272318 NA MeJP NA NA +PJ003501 AAPKM C22H40N6O6S 516.273 NA PeJP NA NA +PJ003502 GERR C19H36N10O7 516.2769 NA PeJP NA NA +PJ003503 GVRW C24H36N8O5 516.2809 NA PeJP NA NA +8078 synthetic peptide RWR 516.281 inhibitor Inhouse_peptide NA peptide +MJ076344 Plukenetione A; 28?,29-Epoxide C33H40O5 516.287574 NA MeJP NA NA +PJ003504 LQKE C22H40N6O8 516.2908 NA PeJP NA NA +PJ003505 RRW C23H36N10O4 516.2921 NA PeJP NA NA +C11991 L-Olivosyl-oleandolide C26H44O10 516.2934 NA KEGG NA NA +MJ076345 7-Abietene-3,15,16,17,18-pentol, 3-O-?-D-Glucopyranoside C26H44O10 516.293447 NA MeJP NA NA +MJ076346 Pseudomonic acid A; 5-Hydroxy C26H44O10 516.293447 NA MeJP NA NA +MJ076347 Thymocartin C21H40N8O7 516.301995 NA MeJP NA NA +PJ003506 VDKR C21H40N8O7 516.302 NA PeJP NA NA +PJ003507 ALKW C26H40N6O5 516.306 NA PeJP NA NA +C08796 Cucurbitacin D C30H44O7 516.3087 NA KEGG NA NA +C08802 Cucurbitacin L C30H44O7 516.3087 NA KEGG NA NA +C08845 Adynerin C30H44O7 516.3087 NA KEGG NA NA +MJ076348 1,3,12,20-Tetrahydroxywitha-5,24-dienolide, 3-Ac C30H44O7 516.308703 NA MeJP NA NA +MJ076349 1,3,24-Trihydroxycycloart-25-ene-21,28-dioic acid, 24-Ketone C30H44O7 516.308703 NA MeJP NA NA +MJ076350 16,22-Dihydroxy-24-methyl-12,24-dioxo-25-scalaranal; 16?-form, Di-Ac C30H44O7 516.308703 NA MeJP NA NA +MJ076351 18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 6-Deoxy, 2-hexanoyl, 18,19-di-Ac C30H44O7 516.308703 NA MeJP NA NA +MJ076352 2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione, 23,24-Dihydro C30H44O7 516.308703 NA MeJP NA NA +MJ076353 2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione C30H44O7 516.308703 NA MeJP NA NA +MJ076354 22,25-Epoxy-3,11-dihydroxy-24-methylfurostano-18,20-lactone, 3-Ac C30H44O7 516.308703 NA MeJP NA NA +MJ076355 3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranoside) C30H44O7 516.308703 NA MeJP NA NA +MJ076356 3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-D-Diginoside C30H44O7 516.308703 NA MeJP NA NA +MJ076357 3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-D-Sarmentoside C30H44O7 516.308703 NA MeJP NA NA +MJ076358 3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-L-Oleandroside C30H44O7 516.308703 NA MeJP NA NA +MJ076359 3,15-Dihydroxycarda-16,20(22)-dienolide, 3-O-L-Oleandroside C30H44O7 516.308703 NA MeJP NA NA +MJ076360 3,16,20,25-Tetrahydroxycucurbita-5,23-diene-2,11,22-trione C30H44O7 516.308703 NA MeJP NA NA +MJ076361 3,7,15-Trihydroxy-11,23-dioxolanosta-8,20(22)-dien-26-oic acid C30H44O7 516.308703 NA MeJP NA NA +MJ076362 3,7-Dihydroxy-11,15,23-trioxolanost-8-en-26-oic acid C30H44O7 516.308703 NA MeJP NA NA +MJ076363 7,15,23-Trihydroxy-3,11-dioxolanosta-8,24-dien-26-oic acid C30H44O7 516.308703 NA MeJP NA NA +MJ076364 7,15-Dihydroxy-3,11,23-trioxolanost-8-en-26-oic acid C30H44O7 516.308703 NA MeJP NA NA +MJ076365 8,14-Epoxy-3-hydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-lyxo-hexopyranoside) C30H44O7 516.308703 NA MeJP NA NA +MJ076366 Ceanothic acid; 27-Carboxylic acid C30H44O7 516.308703 NA MeJP NA NA +MJ076367 Gnidilatin; 5-Deoxy,12-debenzoyloxy C30H44O7 516.308703 NA MeJP NA NA +MJ076368 Oleagenin; D-Diginoside C30H44O7 516.308703 NA MeJP NA NA +MJ076369 Pseudolarolide K C30H44O7 516.308703 NA MeJP NA NA +MetaCyc03761 cucurbitacin F [] C30H44O7 516.308704 NA metacyc NA NA +MJ076370 Probucol C31H48O2S2 516.309572 NA MeJP NA NA +C07373 Probucol C31H48O2S2 516.3096 NA KEGG NA NA +C07374 Transferred to D00477 C31H48O2S2 516.3096 NA KEGG NA NA +PJ003508 SVRR C20H40N10O6 516.3133 NA PeJP NA NA +MJ076371 Schweinfurthin C C34H44O4 516.323959 NA MeJP NA NA +MJ076372 Antibiotic IC 202C C23H44N6O7 516.327147 NA MeJP NA NA +PJ003509 LKKE C23H44N6O7 516.3272 NA PeJP NA NA +MJ076373 Glycerol 1-alkanoates; Glycerol 1-(9Z,12Z-octadecadienoate), 3-O-?-D-Galactopyranoside C27H48O9 516.329833 NA MeJP NA NA +MJ076374 Dendrocrepine C33H44N2O3 516.335193 NA MeJP NA NA +PJ003510 TLKR C22H44N8O6 516.3384 NA PeJP NA NA +MJ076375 1,3,11-Trihydroxy-7-oxolanosta-8,24-dien-29-oic acid, 11-Me ether C31H48O6 516.345089 NA MeJP NA NA +MJ076376 1,3,25-Trihydroxy-21-oxocycloart-23-en-28-oic acid, Me ester C31H48O6 516.345089 NA MeJP NA NA +MJ076377 12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 12,16-Di-Ac C31H48O6 516.345089 NA MeJP NA NA +MJ076378 12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, Di-Ac C31H48O6 516.345089 NA MeJP NA NA +MJ076379 2,3,25-Trihydroxycholesta-4,7-dien-6-one, 25-(3-Hydroxybutanoyl) C31H48O6 516.345089 NA MeJP NA NA +MJ076380 2,3-Dihydroxy-12-oleanene-28,30-dioic acid, 28-Me ester C31H48O6 516.345089 NA MeJP NA NA +MJ076381 2,3-Dihydroxy-12-oleanene-28,30-dioic acid, 30-Me ester C31H48O6 516.345089 NA MeJP NA NA +MJ076382 21,23-Epoxy-7,21,24,25-tetrahydroxy-1,14-apotirucalladien-3-one, 21-Me ether C31H48O6 516.345089 NA MeJP NA NA +MJ076383 25-Hydroxy-23-oxo-2,3-seco-20(22)-dammaren-2,11-olid-3-oic acid, Me ester C31H48O6 516.345089 NA MeJP NA NA +MJ076384 3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 30-Me ester C31H48O6 516.345089 NA MeJP NA NA +MJ076385 5-Hydroxy-14-oxo-3-cedren-15-oic acid, 4-(16-Hydroxy-9Z-hexadecenoyl) C31H48O6 516.345089 NA MeJP NA NA +MJ076386 Cabraleahydroxylactone; 17?-Acetoxy, 3-Ac C31H48O6 516.345089 NA MeJP NA NA +MJ076387 Eucosterol; 15-Deoxo, 22R-acetoxy C31H48O6 516.345089 NA MeJP NA NA +MJ076388 Fusidic acid C31H48O6 516.345089 NA MeJP NA NA +MJ076389 Pseudolarolide C C31H48O6 516.345089 NA MeJP NA NA +C06694 Fusidic acid C31H48O6 516.3451 NA KEGG NA NA +MJ076390 3,20-Diaminopregnane-2,4-diol, 5?,6?-Epoxide, N20,N20-di-Me, N3-tigloyl, 4-Ac C30H48N2O5 516.356322 NA MeJP NA NA +MJ076391 12-Oleanene-1,2,3,11-tetrol, 3-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076392 12-Oleanene-3,16,22,28-tetrol, 16-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076393 12-Oleanene-3,6,16,28-tetrol, 16-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076394 12-Ursene-1,2,3,11-tetrol, 3-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076395 12-Ursene-2,3,11,20-tetrol, 3-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076396 12-Ursene-3,11-diol, 11-Hydroperoxide, 12?,13?-epoxide, 3-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076397 13,28-Epoxy-3,16,22-oleananetriol, 22-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076398 13,28-Epoxy-3,16-dihydroxy-30-oleanal, 16-Ketone, 30-di-Me acetal C32H52O5 516.381474 NA MeJP NA NA +MJ076399 15,22-Dihydroxy-24-hopanoic acid; 15?-form, 15-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076400 16,22-Dihydroxy-23-hopanoic acid, O16-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076401 22,28-Dihydroxy-23-hopanoic acid; 28-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076402 3,11,13-Trihydroxy-12-oleananone, 3-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076403 3,13,15-Trihydroxy-12-oleananone, 3-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076404 4,4-Dimethylergosta-8,24(28)-diene-2,3,11,12-tetrol, 12-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076405 6,22-Dihydroxy-25-hopanoic acid; 6?-form, 6-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076406 7,22-Dihydroxy-27-hopanoic acid, 7-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076407 9(11)-Arborinene-2,3,7,19-tetrol, 2-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076408 9(11)-Arborinene-2,3,7,19-tetrol, 3-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076409 9,15-Dihydroxy-16-kauren-19-oic acid, 15-Dodecanoyl C32H52O5 516.381474 NA MeJP NA NA +MJ076410 Gorgost-5-ene-3,7,11,12-tetrol, 12-Ac C32H52O5 516.381474 NA MeJP NA NA +MJ076411 Iridogermanal; 16R-Acetoxy, 21-deoxy C32H52O5 516.381474 NA MeJP NA NA +MJ076412 2-Methyl-2-(polyprenylmethyl)-2H-1-benzopyran-6-ol; 2-Methyl-2-(pentaprenylmethyl)-2H-1-benzopyran-6-ol C36H52O2 516.39673 NA MeJP NA NA +MJ076413 2,13-Dihydroxy-6-protoilluden-8-one, 13-Octadecanoyl C33H56O4 516.41786 NA MeJP NA NA +MJ076414 3,11-Dihydroxy-7-drimen-6-one, 3-Deoxy, 7?,8?-epoxy, 11-(9-octadecenoyl) C33H56O4 516.41786 NA MeJP NA NA +MJ076415 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Tricosyl ester C33H56O4 516.41786 NA MeJP NA NA +MJ076416 5,14:7,8-Diepoxy-5-marasmanol, Octadecanoyl C33H56O4 516.41786 NA MeJP NA NA +MJ076417 2-(4-Hydroxyphenyl)ethanol; 1-O-Hexacosanoyl C34H60O3 516.454245 NA MeJP NA NA +MJ076418 3-(4-Hydroxyphenyl)-1-propanol; 1-Pentacosanoyl C34H60O3 516.454245 NA MeJP NA NA +MJ076419 Capiquinones; Capiquinone K C34H60O3 516.454245 NA MeJP NA NA +MJ076420 6,27-Hexatriacontadien-2-one C36H68O 516.527016 NA MeJP NA NA +MJ076421 8,27-Hexatriacontadien-2-one C36H68O 516.527016 NA MeJP NA NA +MJ076422 Aerophobin 2; N-Me (X = NHMe) C17H21Br2N5O4 516.996029 NA MeJP NA NA +MJ076423 Oganomycin H C18H23N5O7S3 517.07596 NA MeJP NA NA +PJ003511 SCCCC C15H27N5O7S4 517.0794 NA PeJP NA NA +MJ076424 [1,2,4-Benzenetricarboxylato(3-)-O1,O2](1,2-cyclohexanediamine-N,N')platinate(II)(1-) C15H17N2O6Pt(-) 517.08126 NA MeJP NA NA +FL7ARXGL0001 5-Carboxypyranocyanidin 3-O-beta-glucopyranoside C24H21O13 517.09821 566942-52-7 knapsack NA NA +C13978 Talampicillin hydrochloride C24H23N3O6S 517.1074 NA KEGG NA NA +C13979 Transferred to D02202 C24H23N3O6S 517.1074 NA KEGG NA NA +MJ076425 Neoacrimarine F; N-De-Me C28H23NO9 517.137281 NA MeJP NA NA +MJ076426 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,8-Di-Me ether, 7-O-(tri-O-acetyl-?-L-rhamnopyranoside) C25H27NO11 517.15841 NA MeJP NA NA +PJ003512 GSCDH C18H27N7O9S 517.1591 NA PeJP NA NA +C14034 Piperacillin C23H27N5O7S 517.1631 NA KEGG NA NA +C14035 Transferred to D02252 C23H27N5O7S 517.1631 NA KEGG NA NA +C14036 Transferred to D02253 C23H27N5O7S 517.1631 NA KEGG NA NA +C14037 Transferred to D02254 C23H27N5O7S 517.1631 NA KEGG NA NA +C14038 Transferred to D02255 C23H27N5O7S 517.1631 NA KEGG NA NA +MJ076427 Piperacillin C23H27N5O7S 517.163118 NA MeJP NA NA +MJ076428 ?-D-Fructofuranosyl-(2?3)-?-D-glucopyranuronosyl-(1?3)-2-amino-2-deoxy-D-galactose C18H31NO16 517.164283 NA MeJP NA NA +PJ003513 GPDDD C19H27N5O12 517.1656 NA PeJP NA NA +PJ003514 CQMH C19H31N7O6S2 517.1777 NA PeJP NA NA +MJ076429 ?,?'-[[[2-[4-(2-Ethoxyethoxy)phenyl]ethyl]imino]bis(methylene)]bis[3-chlorobenzenemethanol] C28H33Cl2NO4 517.178663 NA MeJP NA NA +PJ003515 SPPCD C20H31N5O9S 517.1843 NA PeJP NA NA +PJ003516 CCHR C18H31N9O5S2 517.189 NA PeJP NA NA +PJ003517 GSSMH C19H31N7O8S 517.1955 NA PeJP NA NA +PJ003518 GSPEE C20H31N5O11 517.202 NA PeJP NA NA +PJ003519 APPCM C21H35N5O6S2 517.2029 NA PeJP NA NA +PJ003520 SSSTH C19H31N7O10 517.2133 NA PeJP NA NA +PJ003521 CKMH C20H35N7O5S2 517.2141 NA PeJP NA NA +PJ003522 SPEW C24H31N5O8 517.2173 NA PeJP NA NA +PJ003523 AAPEM C21H35N5O8S 517.2207 NA PeJP NA NA +PJ003524 NNDR C18H31N9O9 517.2245 NA PeJP NA NA +PJ003525 GQQW C23H31N7O7 517.2285 NA PeJP NA NA +MJ076430 1,6,9,14-Tetrahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1,6,14-tri-Ac C27H35NO9 517.231181 NA MeJP NA NA +MJ076431 Harringtonine; Parent acid C27H35NO9 517.231181 NA MeJP NA NA +MJ076432 Isoharringtonine; Parent acid C27H35NO9 517.231181 NA MeJP NA NA +MJ076433 Lankacidin P C27H35NO9 517.231181 NA MeJP NA NA +MJ076434 Nocamycin I; N-Me C27H35NO9 517.231181 NA MeJP NA NA +PJ003526 PDMR C20H35N7O7S 517.2319 NA PeJP NA NA +PJ003527 PCLW C25H35N5O5S 517.2359 NA PeJP NA NA +PJ003528 LQEE C21H35N5O10 517.2384 NA PeJP NA NA +PJ003529 PQHH C22H31N9O6 517.2398 NA PeJP NA NA +2835 oxitocin SYIQNSPLGG 517.24495 MH2+ Inhouse_peptide NA peptide +MJ076435 Sanyonamine; 11?-Acetoxy, 2-benzoyl, Ac C31H35NO6 517.246437 NA MeJP NA NA +PJ003530 NQKE C20H35N7O9 517.2496 NA PeJP NA NA +PJ003531 VDER C20H35N7O9 517.2497 NA PeJP NA NA +MJ076436 Plicacetin C25H35N5O7 517.253648 NA MeJP NA NA +PJ003532 ALEW C25H35N5O7 517.2537 NA PeJP NA NA +PJ003533 GPTLM C22H39N5O7S 517.257 NA PeJP NA NA +PJ003534 SQQR C19H35N9O8 517.2609 NA PeJP NA NA +PJ003535 GQKW C24H35N7O6 517.2649 NA PeJP NA NA +PJ003536 LKEE C22H39N5O9 517.2748 NA PeJP NA NA +PJ003537 PKHH C23H35N9O5 517.2761 NA PeJP NA NA +MJ076437 Paspalitrem B C32H39NO5 517.282823 NA MeJP NA NA +MJ076438 Terpendole K C32H39NO5 517.282823 NA MeJP NA NA +PJ003538 TLER C21H39N7O8 517.286 NA PeJP NA NA +MJ076439 Mycalamide A; 17-Me ether C25H43NO10 517.288696 NA MeJP NA NA +C17009 Mycalamide B C25H43NO10 517.2887 NA KEGG NA NA +PJ003539 SLLW C26H39N5O6 517.29 NA PeJP NA NA +PJ003540 VTLW C26H39N5O6 517.2901 NA PeJP NA NA +PJ003541 AALLM C23H43N5O6S 517.2934 NA PeJP NA NA +PJ003542 SQKR C20H39N9O7 517.2973 NA PeJP NA NA +PJ003543 GKKW C25H39N7O5 517.3013 NA PeJP NA NA +PJ003544 VLMR C22H43N7O5S 517.3047 NA PeJP NA NA +PJ003545 ATTLL C23H43N5O8 517.3112 NA PeJP NA NA +EUR655 Lyso PC 16:0 [M+Na]+ C24H50NO7P 517.314438 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR655 Lyso PC 16:0 [M+Na]+ C24H50NO7P 517.314438 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR655 Lyso PC 16:0 [M+Na]+ C24H50NO7P 517.314438 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR655 Lyso PC 16:0 [M+Na]+ C24H50NO7P 517.314438 masses lipides attendues Inhousejuil11 NA NA +HMDB10387 LysoPC(18:3(6Z,9Z,12Z)) C26H48NO7P 517.316833 NA HMDB2010 NA NA +HMDB10388 LysoPC(18:3(9Z,12Z,15Z)) C26H48NO7P 517.316833 NA HMDB2010 NA NA +EUR724 Lyso PC 18:3 monoisotopic mass C26H48NO7P 517.316842 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR724 Lyso PC 18:3 monoisotopic mass C26H48NO7P 517.316842 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR724 Lyso PC 18:3 monoisotopic mass C26H48NO7P 517.316842 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR724 Lyso PC 18:3 monoisotopic mass C26H48NO7P 517.316842 masses lipides attendues Inhousejuil11 NA NA +EUR565 LysoPC(18:3) NA 517.316875 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR565 LysoPC(18:3) [M+H]+ 517.316875 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR565 LysoPC(18:3) NA 517.316875 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR565 LysoPC(18:3) [M+H]+ 517.316875 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR565 LysoPC(18:3) NA 517.316875 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR565 LysoPC(18:3) [M+H]+ 517.316875 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR565 LysoPC(18:3) NA 517.316875 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR565 LysoPC(18:3) NA 517.316875 identifiés dans sérum NuGO HMDB NA NA +EUR565 LysoPC(18:3) NA 517.316875 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR565 LysoPC(18:3) [M+H]+ 517.316875 identifies dans serum NuGO Inhousejuil11 NA NA +EUR565 LysoPC(18:3) NA 517.316875 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR565 LysoPC(18:3) NA 517.316875 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +PJ003546 DKKK C22H43N7O7 517.3224 NA PeJP NA NA +PJ003547 SKKR C21H43N9O6 517.3336 NA PeJP NA NA +MJ076440 Ambruticin VS 5; N,N-Di-Me, N-oxide C30H47NO6 517.340338 NA MeJP NA NA +MJ076441 Holarosine A C30H47NO6 517.340338 NA MeJP NA NA +MJ076442 Mitiphylline; N-De-Me C30H47NO6 517.340338 NA MeJP NA NA +3814 ileum contracting peptide YPMYPLPR 517.7537 MH2+ Inhouse_peptide NA peptide +7040 synthetic peptide from alpha-gliadin IAPFGIFGTN 517.76245 MH2+ Inhouse_peptide NA peptide +MJ076443 Benziodarone C17H12I2O3 517.887581 NA MeJP NA NA +MJ076444 Dithiazanine(1+); Iodide C23H23IN2S2 518.034733 NA MeJP NA NA +MJ076445 Aluminium carbonate; Basic aluminium carbonate CH30Al4O23 518.043941 NA MeJP NA NA +MJ076446 Swertiabisxanthone I C26H14O12 518.048525 NA MeJP NA NA +MJ076447 Angasiol; Ac C22H32Br2O4 518.066734 NA MeJP NA NA +MJ076448 Sirodesmin A; Trisulfide homologue C20H26N2O8S3 518.085127 NA MeJP NA NA +MJ076449 1-Hydroxy-5-methoxy-6-methyl-2(1H)-pyridinone; Fe complex (3:1) C21H24FeN3O9 518.086196 NA MeJP NA NA +C10020 Apigenin 7-(6''-malonylglucoside) C24H22O13 518.106 NA KEGG NA NA +C16192 Malonylgenistin C24H22O13 518.106 NA KEGG NA NA +MJ076450 3,4',5,7,8-Pentahydroxyflavone; 8-O-(2,3-Di-O-acetyl-?-D-xylopyranoside) C24H22O13 518.10604 NA MeJP NA NA +MJ076451 3,4',5,7,8-Pentahydroxyflavone; 8-O-(3,4-Di-O-acetyl-?-L-arabinopyranoside) C24H22O13 518.10604 NA MeJP NA NA +MJ076452 4',5,7-Trihydroxyflavone; 5-O-(6-O-Malonyl-?-D-glucopyranoside) C24H22O13 518.10604 NA MeJP NA NA +MJ076453 4',5,7-Trihydroxyflavone; 7-O-(2-?-D-Glucuronopyranosyloxypropanoyl) C24H22O13 518.10604 NA MeJP NA NA +MJ076454 4',5,7-Trihydroxyisoflavone; 7-O-(6-O-Malonyl-D-glucoside) C24H22O13 518.10604 NA MeJP NA NA +MJ076455 5,6,7-Trihydroxyflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) C24H22O13 518.10604 NA MeJP NA NA +MJ076456 8-Glucopyranosyl-4',5,7-trihydroxyisoflavone; 6''-O-Malonyl C24H22O13 518.10604 NA MeJP NA NA +MJ076457 Cosmosiin; 6''-O-Malonyl C24H22O13 518.10604 NA MeJP NA NA +MJ076458 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside) C24H23O13(+) 518.10604 NA MeJP NA NA +FL3FAAGS0038 Apigenin 5-(6''-malonylglucoside) C24H22O13 518.10604 130733-28-7 knapsack NA NA +FL3FAAGS0039 Apigenin 7-(6''-malonylglucoside) C24H22O13 518.10604 86546-87-4 knapsack NA NA +FL3FAAGS0044 Apigenin 7-(2''-glucuronosyllactate) C24H22O13 518.10604 126394-92-1 knapsack NA NA +FL3FE9GS0009 5,6,7-Trihydroxyflavone 7-(6''-malonylglucoside) C24H22O13 518.10604 - knapsack NA NA +FL5FFAGS0023 Herbacetin 8-(2'',3''-diacetylxyloside) C24H22O13 518.10604 58902-12-8 knapsack NA NA +FLIAAAGS0008 Genistein 7-O-glucoside-6''-malonate C24H22O13 518.10604 51011-05-3 knapsack NA NA +MetaCyc03762 malonylgenistin [] C24H22O13 518.106041 NA metacyc NA NA +MetaCyc03763 apigenin 7-O-(6-malonyl-β-D-glucoside) [] C24H22O13 518.106041 NA metacyc NA NA +MJ076459 Didethiodi(methylthio)acetylapoaranotin C24H26N2O7S2 518.118142 NA MeJP NA NA +MJ076460 Asystasioside E; 6-O-(4-Hydroxybenzoyl) C22H27ClO12 518.119104 NA MeJP NA NA +MJ076461 Glutinoside; 6-O-(4-Hydroxybenzoyl) C22H27ClO12 518.119104 NA MeJP NA NA +MJ076462 Cephalochromin C28H22O10 518.121296 NA MeJP NA NA +MJ076463 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5,7-Di-O-?-D-glucopyranoside C21H26O15 518.12717 NA MeJP NA NA +MJ076464 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C21H26O15 518.12717 NA MeJP NA NA +PJ003548 CCMY C20H30N4O6S3 518.1328 NA PeJP NA NA +C16224 Medicarpin 3-O-glucoside-6'-malonate C25H26O12 518.1424 NA KEGG NA NA +FL3FEAGS0053 Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside);Lantanoside;7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C25H26O12 518.14242 274687-65-9 knapsack NA NA +FLID1AGS0002 Medicarpin 3-O-(6'-malonylgluclside) C25H26O12 518.14242 131653-24-2 knapsack NA NA +MJ076465 1,4,5-Naphthalenetriol; 4-O-[4-Hydroxy-3,5-dimethoxybenzoyl-(?6)-?-D-glucopyranoside] C25H26O12 518.142426 NA MeJP NA NA +MJ076466 3-Hydroxy-9-methoxypterocarpan, 3-O-(6-O-Malonoyl-?-D-glucopyranoside) C25H26O12 518.142426 NA MeJP NA NA +MJ076467 5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) C25H26O12 518.142426 NA MeJP NA NA +MJ076468 Aloin, 7-Hydroxy, 4',6'-di-Ac C25H26O12 518.142426 NA MeJP NA NA +MJ076469 Trioxacarcin A; Aglycone C25H26O12 518.142426 NA MeJP NA NA +MetaCyc03764 (-)-medicarpin-3-O-glucoside-6''-malonate [] C25H26O12 518.142426 NA metacyc NA NA +MJ076470 Glucametacin C25H27ClN2O8 518.145593 NA MeJP NA NA +MJ076471 ?-D-Glucopyranuronosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-glucose C18H30O17 518.148299 NA MeJP NA NA +MJ076472 ?-D-Glucopyranuronosyl-(1?6)-?-D-galactopyranosyl-(1?6)-D-galactose C18H30O17 518.148299 NA MeJP NA NA +MJ076473 ?-D-Mannopyranuronosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-galactose C18H30O17 518.148299 NA MeJP NA NA +MJ076474 myo-Inositol; 2-O-[?-D-Mannopyranosyl-(1?4)-?-D-glucuronopyranoside] C18H30O17 518.148299 NA MeJP NA NA +MJ076475 ?-D-Galactopyranosyl-(1?3)-[?-D-glucopyranuronosyl-(1?2)]-D-mannose C18H30O17 518.148299 NA MeJP NA NA +MJ076476 ?-D-Glucopyranosyl-(1?2)-?-D-glucopyranuronosyl-(1?3)-D-mannose C18H30O17 518.148299 NA MeJP NA NA +MJ076477 ?-D-Mannopyranosyl-(1?4)-?-D-glucopyranuronosyl-(1?2)-D-mannose C18H30O17 518.148299 NA MeJP NA NA +MJ076478 6,6'-Methylenebis[1,2-dihydro-2,2-dimethyl-4-quinolinemethanesulfonic acid] C25H30N2O6S2 518.154528 NA MeJP NA NA +C12116 Esmeraldic acid C30H22N4O5 518.159 NA KEGG NA NA +PJ003549 CEMH C19H30N6O7S2 518.1618 NA PeJP NA NA +MJ076479 10-Hydroxyoleoside, 6',10-Di-Ac, di-Me ester C22H30O14 518.163555 NA MeJP NA NA +MJ076480 Gentiopicroside; 3'-O-?-D-Glucopyranosyl C22H30O14 518.163555 NA MeJP NA NA +MJ076481 Sucrose; 3'-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) C22H30O14 518.163555 NA MeJP NA NA +MJ076482 Sucrose; 6-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) C22H30O14 518.163555 NA MeJP NA NA +PJ003550 CCFF C24H30N4O5S2 518.1658 NA PeJP NA NA +C09808 Phellamurin C26H30O11 518.1788 NA KEGG NA NA +C10885 Simplexoside C26H30O11 518.1788 NA KEGG NA NA +C16767 Rubratoxin B C26H30O11 518.1788 NA KEGG NA NA +FL2FAAGI0003 Phellodensin E;5,7,4'-Trihydroxy-8-C-(3-hydroxymethyl-2-butenyl)flavanone 7-glucoside C26H30O11 518.17881 531503-85-2 knapsack NA NA +FL4DAAGI0001 Phellamurin C26H30O11 518.17881 52589-11-4 knapsack NA NA +FL4DAAGI0004 Phellochinin A;3,5,7,4'-Tetrahydroxy-3'-prenylflavanone 7-glucoside C26H30O11 518.17881 220860-05-9 knapsack NA NA +FL4DAAGP0001 Phellodendroside C26H30O11 518.17881 40451-69-2 knapsack NA NA +MJ076483 3,4',5,7-Tetrahydroxy-3'-prenylflavanone, 7-O-?-D-Glucopyranoside C26H30O11 518.178811 NA MeJP NA NA +MJ076484 4',5,7-Trihydroxy-8-prenylisoflavone; 2'',3''-Dihydro, 3''-hydroxy, 7-O-?-D-glucopyranoside C26H30O11 518.178811 NA MeJP NA NA +MJ076485 4,18:7,20-Diepoxy-15,19,20-trihydroxy-6-oxo-11-cleroden-16,15-olide, Tri-Ac C26H30O11 518.178811 NA MeJP NA NA +MJ076486 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 9-Aldehyde, 3',5-di-Me ether, 9'-O-?-D-glucopyranoside C26H30O11 518.178811 NA MeJP NA NA +MJ076487 Fibleucin; 4-O-?-D-Glucopyranoside C26H30O11 518.178811 NA MeJP NA NA +MJ076488 Neophellamuretin, 7-O-?-D-Glucopyranoside C26H30O11 518.178811 NA MeJP NA NA +MJ076489 Phellamuretin; 3-O-?-D-Glucopyranoside C26H30O11 518.178811 NA MeJP NA NA +MJ076490 Piperitol, O-?-D-Glucopyranoside C26H30O11 518.178811 NA MeJP NA NA +MJ076491 Rubratoxin A; 25-Ketone C26H30O11 518.178811 NA MeJP NA NA +MJ076492 Rutaevinexic acid C26H30O11 518.178811 NA MeJP NA NA +PJ003551 GPCNE C19H30N6O9S 518.1795 NA PeJP NA NA +PJ003552 ACYY C24H30N4O7S 518.1835 NA PeJP NA NA +MJ076493 chiro-Inositol, 4-Me, 2-O-[?-D-galactopyranosyl-(1?6)-?-D-galactopyranoside] C19H34O16 518.184685 NA MeJP NA NA +HMDB04135 Poly-g-D-glutamate C20H30N4O12 518.186035 NA HMDB2010 NA NA +MJ076494 Antibiotic TAN 1532B; 13-Me ether C30H30O8 518.194067 NA MeJP NA NA +MJ076495 Gossypol C30H30O8 518.194067 NA MeJP NA NA +MJ076496 Mallotus B C30H30O8 518.194067 NA MeJP NA NA +C07667 Gossypol C30H30O8 518.1941 NA KEGG NA NA +PJ003553 PCNW C23H30N6O6S 518.1948 NA PeJP NA NA +PJ003554 NQEE C19H30N6O11 518.1973 NA PeJP NA NA +PJ003555 TMMH C20H34N6O6S2 518.1981 NA PeJP NA NA +MJ076497 5-(2-Propenyl)-1,2,3-benzenetriol; 1,3-Di-Me ether, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C23H34O13 518.199941 NA MeJP NA NA +MJ076498 Jioglutoside B C23H34O13 518.199941 NA MeJP NA NA +PJ003556 SSYY C24H30N4O9 518.2013 NA PeJP NA NA +MJ076499 Ipobscurine B C29H30N2O7 518.205301 NA MeJP NA NA +PJ003557 NDDR C18H30N8O10 518.2085 NA PeJP NA NA +MJ076500 Maculalactone E; 3?,3a?-Epoxide C34H30O5 518.209324 NA MeJP NA NA +PJ003558 GQEW C23H30N6O8 518.2125 NA PeJP NA NA +MJ076501 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-O-[2-[(4-Hydroxy-2-hydroxymethyl-2E-butenoyloxy)methyl]-2E-butenoyl], 3-Ac C27H34O10 518.215197 NA MeJP NA NA +MJ076502 3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[4-Hydroxy-2-(2-hydroxymethyl-2E-butenoyloxy)methyl-2E-butenoyl], 3-Ac C27H34O10 518.215197 NA MeJP NA NA +MJ076503 Cedrodorin; 9?-Hydroxy C27H34O10 518.215197 NA MeJP NA NA +MJ076504 Haperforin D C27H34O10 518.215197 NA MeJP NA NA +MJ076505 Khayanolide B C27H34O10 518.215197 NA MeJP NA NA +MJ076506 Verrucarin A; 16-Hydroxy C27H34O10 518.215197 NA MeJP NA NA +MJ076507 Verrucarin A; 8-Hydroxy C27H34O10 518.215197 NA MeJP NA NA +C09533 Provincialin C27H34O10 518.2152 NA KEGG NA NA +PJ003559 GSPQM C20H34N6O8S 518.2159 NA PeJP NA NA +C16543 NPC C28H30N4O6 518.2165 NA KEGG NA NA +MJ076508 Lurtotecan C28H30N4O6 518.216534 NA MeJP NA NA +3122 a1-chain of collagen fr,:434-438 KDGEA 518.2209 celiac toxic Inhouse_peptide NA peptide +PJ003560 LEEE C21H34N4O11 518.2224 NA PeJP NA NA +PJ003561 PEHH C22H30N8O7 518.2238 NA PeJP NA NA +PJ003562 GSPCR C19H34N8O7S 518.2271 NA PeJP NA NA +PJ003563 QWW C27H30N6O5 518.2278 NA PeJP NA NA +PJ003564 CLHF C24H34N6O5S 518.2312 NA PeJP NA NA +PJ003565 NKEE C20H34N6O10 518.2337 NA PeJP NA NA +3422 ACE inhibitor SAYPGQITSN 518.23445 MH2+ Inhouse_peptide NA peptide +MJ076509 3,4-Dihydroxy-5,7-megastigmadien-9-one; 4-O-[Apiofuranosyl-?-D-glucopyranoside] C24H38O12 518.236326 NA MeJP NA NA +MJ076510 3,5-Dihydroxy-6,7-megastigmadien-9-one; 3-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C24H38O12 518.236326 NA MeJP NA NA +MJ076511 6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C24H38O12 518.236326 NA MeJP NA NA +MJ076512 6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C24H38O12 518.236326 NA MeJP NA NA +MJ076513 6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C24H38O12 518.236326 NA MeJP NA NA +MJ076514 6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C24H38O12 518.236326 NA MeJP NA NA +MJ076515 6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C24H38O12 518.236326 NA MeJP NA NA +3132 ester transferases inhibitor WRMWYVP 518.2412 MH2+ Inhouse_peptide NA peptide +MJ076516 Fumadensine C30H34N2O6 518.241686 NA MeJP NA NA +MJ076517 18(13?17)-Abeo-6-chloro-16,22-epoxy-4,5-dihydroxy-1-oxoergosta-2,13,24-trien-26-oic acid, Me ester C29H39ClO6 518.243516 NA MeJP NA NA +PJ003566 SQER C19H34N8O9 518.2449 NA PeJP NA NA +MJ076518 Cyclo(alanylalanylvalyltyrosylglycylglycyl) C24H34N6O7 518.248897 NA MeJP NA NA +PJ003567 GKEW C24H34N6O7 518.2489 NA PeJP NA NA +MJ076519 1,2-Dihydroxy-3,11(13)-eudesmadien-12,8-olid-14-oic acid, Di-Ac, 4,5-dimethyl-3-oxo-2-heptyl ester C28H38O9 518.251582 NA MeJP NA NA +MJ076520 1,4,9,20-Tetraacetoxy-1,3(20),6,10,14-phytapentaen-19-al C28H38O9 518.251582 NA MeJP NA NA +MJ076521 11,12-Epoxy-2,3,14-trihydroxy-5,8(17)-briaradien-18,7-olide, 2-Butanoyl, 3,14-di-Ac C28H38O9 518.251582 NA MeJP NA NA +MJ076522 11,12-Epoxy-2,4,14-trihydroxy-5,8(17)-briaradien-18,7-olide; 2-Butanoyl, 4,14-di-Ac C28H38O9 518.251582 NA MeJP NA NA +MJ076523 13(16),14-Spongiadiene-2,3,17,19-tetrol, Tetra-Ac C28H38O9 518.251582 NA MeJP NA NA +MJ076524 16-Kaurene-3,6,7,11,15-pentol, 11-Ketone, tetra-Ac C28H38O9 518.251582 NA MeJP NA NA +MJ076525 16-Kaurene-3,6,7,11,15-pentol, 15-Ketone, tetra-Ac C28H38O9 518.251582 NA MeJP NA NA +MJ076526 16-Kaurene-3,6,7,11,15-pentol, 6-Ketone, tetra-Ac C28H38O9 518.251582 NA MeJP NA NA +MJ076527 18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 2-Ketone, 7-butanoyl, 18,19-di-Ac C28H38O9 518.251582 NA MeJP NA NA +MJ076528 2,3,11,15-Tetrahydroxy-16-kauren-6-one, Tetra-Ac C28H38O9 518.251582 NA MeJP NA NA +MJ076529 2,3,6,11-Tetrahydroxy-16-kauren-15-one, Tetra-Ac C28H38O9 518.251582 NA MeJP NA NA +MJ076530 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, Tetra-Ac C28H38O9 518.251582 NA MeJP NA NA +MJ076531 3,14-Dihydroxy-19-oxocarda-4,20(22)-dienolide, 3-O-?-D-Xylopyranoside C28H38O9 518.251582 NA MeJP NA NA +MJ076532 8-Daucene-2,4,6,10-tetrol, 6-(3,4-Dimethoxybenzoyl), 2,10-di-Ac C28H38O9 518.251582 NA MeJP NA NA +MJ076533 Austalide H; 13-Ac C28H38O9 518.251582 NA MeJP NA NA +MJ076534 Chlorodesmin C28H38O9 518.251582 NA MeJP NA NA +MJ076535 Opuntial C28H38O9 518.251582 NA MeJP NA NA +MJ076536 Visconolide C28H38O9 518.251582 NA MeJP NA NA +MJ076537 Xenicin C28H38O9 518.251582 NA MeJP NA NA +PJ003568 GSPKM C21H38N6O7S 518.2523 NA PeJP NA NA +C04217 all-trans-Pentaprenyl diphosphate C25H44O7P2 518.2562 NA KEGG NA NA +C17435 di-trans,poly-cis-Pentaprenyl diphosphate C25H44O7P2 518.2562 NA KEGG NA NA +HMDB12231 Geranylfarnesyl diphosphate C25H44O7P2 518.256226 NA HMDB2010 NA NA +MetaCyc03765 all-trans-pentaprenyl diphosphate [geranylfarnesyl diphosphate;] C25H44O7P2 518.256227 NA metacyc NA NA +PJ003569 GTRW C23H34N8O6 518.2601 NA PeJP NA NA +MJ076538 Ajmaline; N-Propyl, hydrogen tartrate C27H38N2O8 518.262816 NA MeJP NA NA +PJ003570 VNMR C20H38N8O6S 518.2635 NA PeJP NA NA +PJ003571 KWW C28H34N6O4 518.2642 NA PeJP NA NA +MJ076539 Betamethasone; 17-Pentanoyl, 21-Ac C29H39FO7 518.267981 NA MeJP NA NA +PJ003572 SSPTK C21H38N6O9 518.27 NA PeJP NA NA +PJ003573 DKKE C21H38N6O9 518.2701 NA PeJP NA NA +MJ076540 Virenamide B C30H38N4O2S 518.271547 NA MeJP NA NA +MJ076541 5-Megastigmene-3,9-diol, 9-Ketone, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C25H42O11 518.272712 NA MeJP NA NA +MJ076542 9-Hydroxy-4-megastigmen-3-one, O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C25H42O11 518.272712 NA MeJP NA NA +PJ003574 GMRR C19H38N10O5S 518.2748 NA PeJP NA NA +MJ076543 Talassicumine B C31H38N2O5 518.278072 NA MeJP NA NA +PJ003575 SKER C20H38N8O8 518.2813 NA PeJP NA NA +3312 NA LLHH 518.284 celiac toxic Inhouse_peptide NA peptide +MJ076544 Segetalin G C25H38N6O6 518.285282 NA MeJP NA NA +PJ003576 SVKW C25H38N6O6 518.2853 NA PeJP NA NA +MJ076545 16,24-Epoxy-21,24,25-trihydroxy-17-cheilanthen-19,25-olide, 21,24-Di-Ac C29H42O8 518.287968 NA MeJP NA NA +MJ076546 18,19-Epoxy-12,14-clerodadiene-2,6,18,19-tetrol, 2-Tigloyl, 18,19-di-Ac C29H42O8 518.287968 NA MeJP NA NA +MJ076547 18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 2-(Methylpropanoyl), 6-Me ether, 18,19-di-Ac C29H42O8 518.287968 NA MeJP NA NA +MJ076548 18,19-Epoxy-3,12,14-clerodatriene-2,7,18,19-tetrol, 2-Me ether, 7-butanoyl, 18,19-di-Ac C29H42O8 518.287968 NA MeJP NA NA +MJ076549 18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 2-(2-Methylbutanoyl), 18,19-di-Ac C29H42O8 518.287968 NA MeJP NA NA +MJ076550 18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 6-Me ether, 2-(2-methylpropanoyl), 18,19-di-Ac C29H42O8 518.287968 NA MeJP NA NA +MJ076551 18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 2-(2-Methylbutanoyl), 18,19-di-Ac C29H42O8 518.287968 NA MeJP NA NA +MJ076552 2,3,14,20,28-Pentahydroxy-6-oxostigmasta-7,24-dien-26,22-olide C29H42O8 518.287968 NA MeJP NA NA +MJ076553 2,3,14,20-Tetrahydroxy-6,22-dioxostigmast-7-en-26,28-olide C29H42O8 518.287968 NA MeJP NA NA +MJ076554 2,3,14,21,22-Pentahydroxy-6-oxoergosta-7,24(28)-dien-29,25-olide C29H42O8 518.287968 NA MeJP NA NA +MJ076555 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-D-ribo-hexopyranoside) C29H42O8 518.287968 NA MeJP NA NA +MJ076556 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-D-xylo-hexopyranoside) C29H42O8 518.287968 NA MeJP NA NA +MJ076557 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-D-ribo-hexopyranoside) C29H42O8 518.287968 NA MeJP NA NA +MJ076558 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-D-xylo-hexopyranoside) C29H42O8 518.287968 NA MeJP NA NA +MJ076559 3,14-Dihydroxycarda-4,20(22)-dienolide, 3-O-?-L-Rhamnopyranoside C29H42O8 518.287968 NA MeJP NA NA +MJ076560 4(20),11-Taxadiene-2,5,10,14-tetrol, 14-Propanoyl, 2,5,10-tri-Ac C29H42O8 518.287968 NA MeJP NA NA +MJ076561 Colletotrichin; 3''-O-Formyl C29H42O8 518.287968 NA MeJP NA NA +MJ076562 Colletotrichin; 3-O-Formyl C29H42O8 518.287968 NA MeJP NA NA +MJ076563 Gomphoside C29H42O8 518.287968 NA MeJP NA NA +MJ076564 Gomphotin C29H42O8 518.287968 NA MeJP NA NA +PJ003577 LQKM C22H42N6O6S 518.2887 NA PeJP NA NA +C10013 Sativanine B C30H38N4O4 518.2893 NA KEGG NA NA +MJ076565 Lotusine A C30H38N4O4 518.289305 NA MeJP NA NA +MJ076566 Sativanine B C30H38N4O4 518.289305 NA MeJP NA NA +PJ003578 STRR C19H38N10O7 518.2925 NA PeJP NA NA +PJ003579 LLHH C24H38N8O5 518.2965 NA PeJP NA NA +MJ076567 Lebstatin; 17-Demethoxy C28H42N2O7 518.299201 NA MeJP NA NA +PJ003580 CLKR C21H42N8O5S 518.2999 NA PeJP NA NA +C09941 Hypercalin B C33H42O5 518.3032 NA KEGG NA NA +MJ076568 Fissistigmatin A C33H42O5 518.303224 NA MeJP NA NA +MJ076569 Fissistigmatin D C33H42O5 518.303224 NA MeJP NA NA +MJ076570 Hypercalin B C33H42O5 518.303224 NA MeJP NA NA +MJ076571 Nemorosone; 13-Hydroxy C33H42O5 518.303224 NA MeJP NA NA +MJ076572 Sampsonione B C33H42O5 518.303224 NA MeJP NA NA +MJ076573 Sampsonione G C33H42O5 518.303224 NA MeJP NA NA +MJ076574 Sampsonione L C33H42O5 518.303224 NA MeJP NA NA +MJ076575 Xerophenone A C33H42O5 518.303224 NA MeJP NA NA +PJ003581 GTTLK C22H42N6O8 518.3064 NA PeJP NA NA +MJ076576 Calycosidine C33H38N6 518.315795 NA MeJP NA NA +MJ076577 Hodgkinsine C33H38N6 518.315795 NA MeJP NA NA +C09211 Hodgkinsine C33H38N6 518.3158 NA KEGG NA NA +PJ003582 PKKF C26H42N6O5 518.3217 NA PeJP NA NA +MJ076578 1,2,3-Trihydroxy-7-fernene-23,25-dioic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076579 2,16,20,22,25-Pentahydroxycucurbita-5,23-diene-3,11-dione C30H46O7 518.324353 NA MeJP NA NA +MJ076580 2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 23,24-Dihydro C30H46O7 518.324353 NA MeJP NA NA +MJ076581 2,3,13,16-Tetrahydroxy-23,28-oleananedioic acid, 28?13-Lactone C30H46O7 518.324353 NA MeJP NA NA +MJ076582 2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione C30H46O7 518.324353 NA MeJP NA NA +MJ076583 2,3,16-Trihydroxy-12-oleanene-23,28-dioic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076584 2,3,16-Trihydroxy-13(18)-oleanene-23,28-dioic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076585 2,3,18-Trihydroxy-12-oleanene-23,28-dioic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076586 2,3,19-Trihydroxy-12-oleanene-23,28-dioic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076587 2,3,19-Trihydroxy-12-oleanene-24,28-dioic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076588 2,3,19-Trihydroxy-12-ursene-23,28-dioic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076589 2,3,19-Trihydroxy-12-ursene-24,28-dioic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076590 2,3,20-Trihydroxy-12-ursene-24,28-dioic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076591 2,3,23,24-Tetrahydroxy-12-ursen-28-oic acid, 23-Carboxylic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076592 2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076593 2,3,27-Trihydroxy-12-oleanene-23,28-dioic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076594 2,3,6,23-Tetrahydroxy-12-oleanen-28-oic acid, 23-Carboxylic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076595 2,9:3,16-Diepoxy-7(19)-asbestinene-4,6,11-triol, 6-Ketone, 4-octanoyl, 11-Ac C30H46O7 518.324353 NA MeJP NA NA +MJ076596 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-lyxo-hexopyranoside) C30H46O7 518.324353 NA MeJP NA NA +MJ076597 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranoside) C30H46O7 518.324353 NA MeJP NA NA +MJ076598 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-L-arabino-hexopyranoside) C30H46O7 518.324353 NA MeJP NA NA +MJ076599 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-L-ribo-hexopyranoside) C30H46O7 518.324353 NA MeJP NA NA +MJ076600 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-D-xylo-hexopyranoside) C30H46O7 518.324353 NA MeJP NA NA +MJ076601 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-L-ribo-hexopyranoside) C30H46O7 518.324353 NA MeJP NA NA +MJ076602 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-lyxo-hexopyranoside) C30H46O7 518.324353 NA MeJP NA NA +MJ076603 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-xylo-hexopyranoside) C30H46O7 518.324353 NA MeJP NA NA +MJ076604 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-D-xylo-hexopyranoside) C30H46O7 518.324353 NA MeJP NA NA +MJ076605 3,15,29-Trihydroxy-11,23-dioxolanost-8-en-26-oic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076606 3,25-Epoxy-1,2,3,11-tetrahydroxy-12-ursen-28-oic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076607 3,6,19,23-Tetrahydroxy-12-ursen-28-oic acid, 23-Carboxylic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076608 3,7,15-Trihydroxy-11,23-dioxolanost-8-en-26-oic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076609 4(20),11-Taxadiene-2,5,10,14-tetrol, 10-Me ether, 14-(2-methylbutanoyl), 2,5-di-Ac C30H46O7 518.324353 NA MeJP NA NA +MJ076610 Cecropiacic acid C30H46O7 518.324353 NA MeJP NA NA +MJ076611 Galphimine B C30H46O7 518.324353 NA MeJP NA NA +MJ076612 Kraussianin; 21-Epimer, 3-O-debenzoyl, 5,28-dideoxy C30H46O7 518.324353 NA MeJP NA NA +MJ076613 Lurlenic acid; 1-Alcohol C30H46O7 518.324353 NA MeJP NA NA +MJ076614 Musancropic acid A C30H46O7 518.324353 NA MeJP NA NA +MJ076615 Musancropic acid B C30H46O7 518.324353 NA MeJP NA NA +MJ076616 Perulactone C30H46O7 518.324353 NA MeJP NA NA +MJ076617 Saponaceolide A C30H46O7 518.324353 NA MeJP NA NA +C08798 Cucurbitacin F C30H46O7 518.3244 NA KEGG NA NA +C08803 Cucurbitacin O C30H46O7 518.3244 NA KEGG NA NA +PJ003583 LKKM C23H46N6O5S 518.3251 NA PeJP NA NA +MJ076618 Discarine H C28H46N4O5 518.34682 NA MeJP NA NA +MJ076619 Discarine L C28H46N4O5 518.34682 NA MeJP NA NA +MJ076620 Buxalfine C33H46N2O3 518.350843 NA MeJP NA NA +MJ076621 Buxdeltine C33H46N2O3 518.350843 NA MeJP NA NA +MJ076622 1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid, Me ester C31H50O6 518.360739 NA MeJP NA NA +MJ076623 1,3,21,24-Tetrahydroxycycloart-25-en-28-oic acid, Me ester C31H50O6 518.360739 NA MeJP NA NA +MJ076624 2,3,11,23-Tetrahydroxy-12-ursen-28-oic acid, 11-Me ether C31H50O6 518.360739 NA MeJP NA NA +MJ076625 2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, Me ester C31H50O6 518.360739 NA MeJP NA NA +MJ076626 2,3,7,11-Tetrahydroxy-12-ursen-28-oic acid, 11-Me ether C31H50O6 518.360739 NA MeJP NA NA +MJ076627 3,11,15,29-Tetrahydroxystigmast-5-en-7-one, 3-Ac C31H50O6 518.360739 NA MeJP NA NA +MetaCyc03766 13-β-D-glucosyloxydocosanoate [13-[β-D-glucopyranosyloxy]docosanoate;] C28H54O8 518.381869 NA metacyc NA NA +C04103 13-beta-D-Glucosyloxydocosanoate C28H54O8 518.3819 NA KEGG NA NA +MJ076628 Buxidienine I; 16-Deoxy, N3,N20,N20-tri-Me, O30-benzoyl C34H50N2O2 518.387228 NA MeJP NA NA +MJ076629 20,24-Epoxydammarane-3,12,25-triol, 12-Ac C32H54O5 518.397124 NA MeJP NA NA +MJ076630 20,24-Epoxydammarane-3,12,25-triol, 3-Ac C32H54O5 518.397124 NA MeJP NA NA +MJ076631 20,24-Epoxydammarane-3,6,25-triol, 3-Ac C32H54O5 518.397124 NA MeJP NA NA +MJ076632 3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3-Me ether, docosyl ester C32H54O5 518.397124 NA MeJP NA NA +MJ076633 7,24,25,26-Tetrahydroxylanost-8-en-3-one, 7-Et ether C32H54O5 518.397124 NA MeJP NA NA +MJ076634 Dammar-24-ene-3,12,17,20-tetrol, 12-Ac C32H54O5 518.397124 NA MeJP NA NA +MJ076635 Gorgostane-3,5,6,7-tetrol, 7-Ac C32H54O5 518.397124 NA MeJP NA NA +MJ076636 2-Polyprenyl-1,4-benzenediol; 2-Hexaprenyl-1,4-benzenediol C36H54O2 518.41238 NA MeJP NA NA +C05801 2-Hexaprenyl-6-hydroxyphenol C36H54O2 518.4124 NA KEGG NA NA +MJ076637 3,11-Dihydroxy-7-drimen-6-one, 3-Deoxy, 7?,8?-epoxy, 11-octadecanoyl C33H58O4 518.43351 NA MeJP NA NA +MJ076638 8-Daucene-3,4,14-triol, 14-(9-Octadecenoyl)(Z-) C33H58O4 518.43351 NA MeJP NA NA +MJ076639 Cefminox C16H21N7O7S3 519.066458 NA MeJP NA NA +MJ076640 Suproclone C22H22ClN5O4S2 519.080173 NA MeJP NA NA +MJ076641 1-[2,5-Dideoxy-5-[[2-(2,4-dichloro-5-methoxyphenoxy)-1-oxopropyl]amino]-2-fluoro-?-D-arabinofuranosyl]-5-ethyl-2,4(1H,3H)-pyrimidinedione C21H24Cl2FN3O7 519.097533 NA MeJP NA NA +MJ076642 Ceforanide C20H21N7O6S2 519.099472 NA MeJP NA NA +C06884 Ceforanide C20H21N7O6S2 519.0995 NA KEGG NA NA +MJ076643 6-Hydroxy-8-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; O-?-D-Glucopyranoside C23H21NO13 519.101289 NA MeJP NA NA +FL7AAAGL0016 Pelargonidin 3-(6''-malonylglucoside) C24H23O13 519.11386 165070-68-8 knapsack NA NA +MetaCyc03767 pelargonidin-3-O-(6-O-malonyl-β-D-glucoside) [] C24H23O13 519.113866 NA metacyc NA NA +C12642 Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside) C24H23O13 519.1139 NA KEGG NA NA +MJ076644 Antibiotic WS 009B; 6-Deoxy C24H25NO10S 519.119916 NA MeJP NA NA +PJ003584 GTCCH C18H29N7O7S2 519.157 NA PeJP NA NA +PJ003585 GPCDE C19H29N5O10S 519.1635 NA PeJP NA NA +MJ076645 Gravacridonetriol; 2'-O-?-Glucopyranosyl C25H29NO11 519.17406 NA MeJP NA NA +PJ003586 SSSCH C18H29N7O9S 519.1748 NA PeJP NA NA +PJ003587 PCDW C23H29N5O7S 519.1788 NA PeJP NA NA +PJ003588 NEEE C19H29N5O12 519.1813 NA PeJP NA NA +PJ003589 PPTCC C20H33N5O7S2 519.1822 NA PeJP NA NA +MJ076646 Pannellin; Parent acid, dimethylamide C29H29NO8 519.189316 NA MeJP NA NA +MJ076647 Rocaglatic acid; 1-Ac, amide C29H29NO8 519.189316 NA MeJP NA NA +PJ003590 CNHF C22H29N7O6S 519.19 NA PeJP NA NA +PJ003591 DDDR C18H29N7O11 519.1925 NA PeJP NA NA +MJ076648 Adenosine; 6N-Benzyl, 3'-O-?-D-glucopyranosyl C23H29N5O9 519.196527 NA MeJP NA NA +PJ003592 GEEW C23H29N5O9 519.1966 NA PeJP NA NA +PJ003593 GSPEM C20H33N5O9S 519.1999 NA PeJP NA NA +PJ003594 SNNW C22H29N7O8 519.2078 NA PeJP NA NA +MJ076649 Alangiside; 13a-Epimer, Me ether C26H33NO10 519.210446 NA MeJP NA NA +PJ003595 NQQM C19H33N7O8S 519.2111 NA PeJP NA NA +PJ003596 GGQQM C19H33N7O8S 519.2112 NA PeJP NA NA +PJ003597 EWW C27H29N5O6 519.2118 NA PeJP NA NA +MJ076650 Antibiotic SF 2513; Antibiotic SF 2513C C25H34N3O7P 519.213436 NA MeJP NA NA +PJ003598 SPMW C24H33N5O6S 519.2152 NA PeJP NA NA +MJ076651 Antibiotic FK 156 C20H33N5O11 519.217656 NA MeJP NA NA +PJ003599 DKEE C20H33N5O11 519.2177 NA PeJP NA NA +PJ003600 GPCLM C21H37N5O6S2 519.2185 NA PeJP NA NA +PJ003601 AAPMM C21H37N5O6S2 519.2186 NA PeJP NA NA +PJ003602 CNQR C18H33N9O7S 519.2224 NA PeJP NA NA +PJ003603 SEER C19H33N7O10 519.2289 NA PeJP NA NA +MJ076652 Peptide P3A C20H29N11O6 519.230227 NA MeJP NA NA +PJ003604 SVEW C24H33N5O8 519.2329 NA PeJP NA NA +PJ003605 LQEM C21H37N5O8S 519.2363 NA PeJP NA NA +MJ076653 Cadabicine; N14,O-Di-Ac C29H33N3O6 519.236935 NA MeJP NA NA +PJ003606 GSSNR C18H33N9O9 519.2401 NA PeJP NA NA +PJ003607 GGGSSR C18H33N9O9 519.2402 NA PeJP NA NA +8296 ACE inhibitor GVHHA 519.242 NA ;SYN:(3,5-diiodo-4-(-p-hydroxyphenoxy)phenyl)-Alanine; 3',5'-diiodothyronine; 3,5-Diiodo-D-thyronine; 3,5-Diiodo-DL-thyronine; 3,5-Diiodo-L-thyronine; 3,5-Diiodo-dl-thryronine; 3,5-Diiodothyronine; DL-3,5-Diiodothyronine; 3,5-T2; 4-(4-Hydroxyphenoxy)-3,5-diiodophenylalanine; D-O-(4-hydroxyphenyl)-3,5-diiodo-Tyrosine; Diiodo-L-thyronine; Diiodothyronine; L-3,5-Diiodothyronine; L-O-(4-hydroxyphenyl)-3,5-diiodo-Tyrosine; O-(4-hydroxyphenyl)-3,5-diiodo-Tyrosine; DL-DiiodothyronineH2Blood; Urine Inhouse_peptide NA peptide +PJ003608 VDMR C20H37N7O7S 519.2475 NA PeJP NA NA +PJ003609 GGGAKM C20H37N7O7S 519.2476 NA PeJP NA NA +MJ076654 Ergobine C28H33N5O5 519.248169 NA MeJP NA NA +PJ003610 APFW C28H33N5O5 519.2482 NA PeJP NA NA +7397 celiac sprue gluten epitope found in secalin PFPQPQQPT 519.2485 MH2+ Inhouse_peptide NA peptide +PJ003611 ALMW C25H37N5O5S 519.2516 NA PeJP NA NA +PJ003612 GTTLE C21H37N5O10 519.2541 NA PeJP NA NA +PJ003613 VQHH C22H33N9O6 519.2554 NA PeJP NA NA +PJ003614 CNKR C19H37N9O6S 519.2588 NA PeJP NA NA +EUR857 Lyso PE 18:4 [M+FA-H]- C23H40NO7P 519.259122 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR857 Lyso PE 18:4 [M+FA-H]- C23H40NO7P 519.259122 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR857 Lyso PE 18:4 [M+FA-H]- C23H40NO7P 519.259122 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR857 Lyso PE 18:4 [M+FA-H]- C23H40NO7P 519.259122 masses lipides attendues Inhousejuil11 NA NA +PJ003615 GSTQK C20H37N7O9 519.2653 NA PeJP NA NA +PJ003616 AHHR C21H33N11O5 519.2666 NA PeJP NA NA +PJ003617 TTLW C25H37N5O7 519.2693 NA PeJP NA NA +PJ003618 LKEM C22H41N5O7S 519.2727 NA PeJP NA NA +MJ076655 Roehybridine; N-De-Me C30H37N3O5 519.273321 NA MeJP NA NA +3570 NA GIQSEPKAIP 519.278 MH2+ Inhouse_peptide NA peptide +PJ003619 PTFR C24H37N7O6 519.2806 NA PeJP NA NA +MJ076656 Delstaphinine; Di-Ac C28H41NO8 519.283217 NA MeJP NA NA +MJ076657 Neoline; O8,O14-Di-Ac, 1-ketone C28H41NO8 519.283217 NA MeJP NA NA +PJ003620 TLMR C21H41N7O6S 519.2839 NA PeJP NA NA +PJ003621 SSTLL C22H41N5O9 519.2904 NA PeJP NA NA +PJ003622 VKHH C23H37N9O5 519.2918 NA PeJP NA NA +2809 PEP inhibitor PPPLP 519.292 NA Inhouse_peptide NA peptide +MJ076658 Vignatic acid B C27H41N3O7 519.29445 NA MeJP NA NA +MJ076659 Terpendole C C32H41NO5 519.298473 NA MeJP NA NA +PJ003623 GSTKK C21H41N7O8 519.3017 NA PeJP NA NA +MJ076660 Antibiotic PA 133B C25H45NO10 519.304346 NA MeJP NA NA +PJ003624 PLKY C26H41N5O6 519.3057 NA PeJP NA NA +MJ076661 Pentolium(2+) C15H32N22(+) 519.310204 NA MeJP NA NA +PJ003625 VVFR C25H41N7O5 519.3169 NA PeJP NA NA +CJpos0813 1-Linoleoylglycerophosphocholine GPCho(18:2) [(M+H)]+ C26H51NO7P 519.331975 C18rt(min)=11.17 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0813 1-Linoleoylglycerophosphocholine GPCho(18:2) [(M+H)]+ C26H51NO7P 519.331975 C18rt(min)=11.17 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +EUR573 LysoPC(18:2) NA 519.332175 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR573 LysoPC(18:2) [M+H]+ 519.332175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR573 LysoPC(18:2) NA 519.332175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR573 LysoPC(18:2) [M+H]+ 519.332175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR573 LysoPC(18:2) NA 519.332175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR573 LysoPC(18:2) [M+H]+ 519.332175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR573 LysoPC(18:2) NA 519.332175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR573 LysoPC(18:2) NA 519.332175 identifiés dans sérum NuGO HMDB NA NA +EUR573 LysoPC(18:2) NA 519.332175 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR573 LysoPC(18:2) [M+H]+ 519.332175 identifies dans serum NuGO Inhousejuil11 NA NA +EUR573 LysoPC(18:2) NA 519.332175 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR573 LysoPC(18:2) NA 519.332175 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR659 Lyso PC 18:2 monoisotopic mass C26H50NO7P 519.332492 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR901 Lyso PE 22:2 [M-H-CH3]- C27H52NO7P 519.332492 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR659 Lyso PC 18:2 monoisotopic mass C26H50NO7P 519.332492 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR901 Lyso PE 22:2 [M-H-CH3]- C27H52NO7P 519.332492 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR659 Lyso PC 18:2 monoisotopic mass C26H50NO7P 519.332492 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR901 Lyso PE 22:2 [M-H-CH3]- C27H52NO7P 519.332492 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR659 Lyso PC 18:2 monoisotopic mass C26H50NO7P 519.332492 masses lipides attendues Inhousejuil11 NA NA +EUR901 Lyso PE 22:2 [M-H-CH3]- C27H52NO7P 519.332492 masses lipides attendues Inhousejuil11 NA NA +HMDB10386 LysoPC(18:2(9Z,12Z)) C26H50NO7P 519.33252 NA HMDB2010 NA NA +MJ076662 Antibiotic 2158 C33H45NO4 519.334858 NA MeJP NA NA +MJ076663 Fenestin B C27H45N5O5 519.342069 NA MeJP NA NA +PJ003626 LLKF C27H45N5O5 519.3421 NA PeJP NA NA +2610 synthetic peptide inhibitors of (PEP) IYPFPGPIH 519.76705 MH2+ Inhouse_peptide NA peptide +MJ076664 Chartelline A; 17,18-Didebromo C20H15Br2ClN4O 519.930114 NA MeJP NA NA +C10392 Pseudohypericin C30H16O9 520.0794 NA KEGG NA NA +MJ076665 Pseudohypericin C30H16O9 520.079432 NA MeJP NA NA +MJ076666 Pinnaterpene C C22H34Br2O4 520.082384 NA MeJP NA NA +FL5FECGS0038 5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide C23H20O14 520.0853 - knapsack NA NA +MJ076667 3,3',4',5,6,7-Hexahydroxyflavone; 6,7-Methylene, 3-Me ether, 4'-O-?-D-glucuronopyranoside C23H20O14 520.085305 NA MeJP NA NA +MJ076668 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(6-O-Oxalyl-?-D-glucopyranoside) C23H21O14(+) 520.085305 NA MeJP NA NA +MJ076669 Melitric acid B C27H20O11 520.100561 NA MeJP NA NA +C07231 Moxalactam C20H20N6O9S 520.1012 NA KEGG NA NA +C07232 Transferred to D00421 C20H20N6O9S 520.1012 NA KEGG NA NA +C07233 Transferred to D00422 C20H20N6O9S 520.1012 NA KEGG NA NA +C07234 Transferred to D00423 C20H20N6O9S 520.1012 NA KEGG NA NA +MJ076670 Latamoxef C20H20N6O9S 520.101246 NA MeJP NA NA +MJ076671 Dendroamide B C21H24N6O4S3 520.102115 NA MeJP NA NA +MJ076672 Oganomycin GB C23H24N2O10S 520.115165 NA MeJP NA NA +MJ076673 2',5,6',7,8-Pentahydroxyflavone; 2',7,8-Tri-Me ether, 6'-O-?-D-glucuronoside C24H24O13 520.12169 NA MeJP NA NA +MJ076674 3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 8-Ac, 3-O-?-L-rhamnopyranoside C24H24O13 520.12169 NA MeJP NA NA +MJ076675 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-(6-O-Acetyl-?-D-galactopyranoside) C24H24O13 520.12169 NA MeJP NA NA +MJ076676 3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-(6-O-Acetyl-?-D-glucopyranoside) C24H24O13 520.12169 NA MeJP NA NA +MJ076677 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-Ac C24H24O13 520.12169 NA MeJP NA NA +MJ076678 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-Ac C24H24O13 520.12169 NA MeJP NA NA +FL3FACGS0059 Luteolin 7-(2''-glucosyllactate) C24H24O13 520.12169 126394-93-2 knapsack NA NA +FL3FF8GS0008 5,2'-Dihydroxy-7,8,6'-trimethoxyflavone 2'-glucuronide;2-(5-Hydroxy-7,8-dimethoxy-4-oxo-4H-1-benzopyran-2-yl)-3-methoxyphenyl beta-D-glucopyranosiduronic acid C24H24O13 520.12169 133640-37-6 knapsack NA NA +FL5FADGA0020 Isorhamnetin 3-(6''-acetylgalactoside) C24H24O13 520.12169 67214-09-9 knapsack NA NA +FL5FADGL0033 Isorhamnetin 3-(2''-acetylglucoside) C24H24O13 520.12169 119628-57-8 knapsack NA NA +FL5FADGL0034 Isorhamnetin 3-(6''-acetylglucoside) C24H24O13 520.12169 64317-85-7 knapsack NA NA +FL5FAJGS0003 Mearnsetin 3-O-(4''-O-acetyl)-alpha-L-rhamnopyranoside;3-[(4-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C24H24O13 520.12169 402954-88-5 knapsack NA NA +FL5FEAGL0010 6-Methoxykaempferol 3-(6''-acetylglucoside) C24H24O13 520.12169 118201-25-5 knapsack NA NA +FL5FFCGS0019 Purifolin C24H24O13 520.12169 62082-22-8 knapsack NA NA +MetaCyc03768 glycosaminoglycan [] C17H30N1O15S1 520.133615 NA metacyc NA NA +C07817 Mometasone furoate C27H30Cl2O6 520.1419 NA KEGG NA NA +MJ076679 Mometasone; 17-(2-Furanylcarbonyl)oxy C27H30Cl2O6 520.141944 NA MeJP NA NA +MJ076680 4'-O-Demethyl-4?-(4''-nitroanilino)-4-desoxypodophyllotoxin C27H24N2O9 520.14818 NA MeJP NA NA +MJ076681 Albofungin C27H24N2O9 520.14818 NA MeJP NA NA +MJ076682 Antibiotic SF 2415A3 C26H30Cl2N2O5 520.153177 NA MeJP NA NA +FL1DAAGS0006 Zosterin;4,2'-Dihydroxy-4',6'-diacetoxydihydrochalcone 2'-O-glucoside C25H28O12 520.15807 145039-89-0 knapsack NA NA +FL3FCKGS0002 Lethedoside B;Tricetin 7,3',4',5'-trimethyl eter 5-glucoside;5-(beta-D-glucopyranosyloxy)-7-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C25H28O12 520.15807 221289-29-8 knapsack NA NA +FL3FEGGS0006 6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-rhamnoside C25H28O12 520.15807 - knapsack NA NA +FL3FF8GS0005 5-Hydroxy-7,8,2',3'-tetramethoxyflavone 5-glucoside C25H28O12 520.15807 113963-40-9 knapsack NA NA +FL5FDFGS0001 Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside;2-(3,4-Dimethoxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dimethoxy-4H-1-benzopyran-4-one C25H28O12 520.15807 196942-96-8 knapsack NA NA +MJ076683 1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 1,2,3,8-Tetra-Me ether, 7-O-?-D-glucopyranoside C25H28O12 520.158076 NA MeJP NA NA +MJ076684 2',3',5,7,8-Pentahydroxyflavone; 2',3',7,8-Tetra-Me ether, 5-O-?-D-glucopyranoside C25H28O12 520.158076 NA MeJP NA NA +MJ076685 2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 9,13,14-tri-Ac C25H28O12 520.158076 NA MeJP NA NA +MJ076686 2-O-?-D-Apiofuranosyl-D-glucose; ?-Pyranose-form, 1,5'-Dibenzoyl C25H28O12 520.158076 NA MeJP NA NA +MJ076687 3',4',5,5',7-Pentahydroxyflavone; 3',4',5',7-Tetra-Me ether, 5-O-?-D-glucopyranoside C25H28O12 520.158076 NA MeJP NA NA +MJ076688 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4',6'-Di-Ac, 2'-O-?-D-glucopyranoside C25H28O12 520.158076 NA MeJP NA NA +MJ076689 7-Hydroxyugandoside, 7-(4-Hydroxycinnamoyl) C25H28O12 520.158076 NA MeJP NA NA +MJ076690 Asperuloside; 2'-O-[3-(4-Hydroxyphenyl)propanoyl], 10-de-Ac C25H28O12 520.158076 NA MeJP NA NA +MJ076691 Sweroside; 2'-O-(3-Hydroxybenzoyl), 3'-Ac C25H28O12 520.158076 NA MeJP NA NA +MJ076692 Sweroside; 3'-O-(3,4-Dihydroxy-E-cinnamoyl) C25H28O12 520.158076 NA MeJP NA NA +MJ076693 Swertiamarin; 4'-(4-Hydroxycinnamoyl)(E-) C25H28O12 520.158076 NA MeJP NA NA +C10313 Chryso-obtusin glucoside C25H28O12 520.1581 NA KEGG NA NA +PJ003627 CMMH C19H32N6O5S3 520.1597 NA PeJP NA NA +MJ076694 Vaneprim C23H28N4O8S 520.162784 NA MeJP NA NA +PJ003628 DEEE C19H28N4O13 520.1653 NA PeJP NA NA +PJ003629 GCNNN C17H28N8O9S 520.17 NA PeJP NA NA +MJ076695 1-(1,3-Benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-2,3-dihydro-5-propoxy-1H-indene-2-carboxylic acid C29H28O9 520.173332 NA MeJP NA NA +MJ076696 Rocaglatic acid; 1-O-Formyl, Me ester C29H28O9 520.173332 NA MeJP NA NA +MJ076697 Schizantherin D C29H28O9 520.173332 NA MeJP NA NA +MJ076698 Schizantherin P; 7-Epimer, 7-benzoyl C29H28O9 520.173332 NA MeJP NA NA +PJ003630 CDHF C22H28N6O7S 520.174 NA PeJP NA NA +MJ076699 Picrasidine M; 4-Methoxy C30H24N4O5 520.174669 NA MeJP NA NA +PJ003631 GSNDE C18H28N6O12 520.1765 NA PeJP NA NA +PJ003632 GGGSDE C18H28N6O12 520.1766 NA PeJP NA NA +PJ003633 GPCNM C19H32N6O7S2 520.1774 NA PeJP NA NA +MJ076700 2-O-?-L-Rhamnopyranosyl-L-arabinose; ?-Pyranose-form, Me glycoside, penta-Ac C22H32O14 520.179205 NA MeJP NA NA +MJ076701 3-(3,4-Dihydroxyphenyl)propanoic acid; 4-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], Me ester C22H32O14 520.179205 NA MeJP NA NA +MJ076702 Asystasioside B C22H32O14 520.179205 NA MeJP NA NA +MJ076703 Gonocaryoside B; Me ester C22H32O14 520.179205 NA MeJP NA NA +MJ076704 Sucrose; 6-O-[3-(4-Hydroxy-3-methoxyphenyl)propanoyl] C22H32O14 520.179205 NA MeJP NA NA +PJ003634 SNDW C22H28N6O9 520.1918 NA PeJP NA NA +MJ076705 4-[[1-(2-Carboxyethyl)-4-[4-(4-phenoxybutoxy)phenyl]-2-butenyl]thio]benzoic acid C30H32O6S 520.191959 NA MeJP NA NA +MJ076706 1,2,6,8-Tetrahydroxyxanthone; 1,2,6-Tri-Me ether, 8-O-(2,3,4,6-tetra-O-methyl-?-D-glucopyranoside) C26H32O11 520.194461 NA MeJP NA NA +MJ076707 1,3,5,8-Tetrahydroxyxanthone; 3,5,8-Tri-Me ether, 1-O-(2,3,4,6-tetra-O-methyl-?-D-glucopyranoside) C26H32O11 520.194461 NA MeJP NA NA +MJ076708 15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide, O-?-D-Glucopyranoside C26H32O11 520.194461 NA MeJP NA NA +MJ076709 15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide, 4-O-?-D-Glucopyranoside C26H32O11 520.194461 NA MeJP NA NA +MJ076710 2,3-Epoxy-8,9,11,16-tetrahydroxy-12-oxo-5,13-briaradien-18,7-olide; 9,11,16-Tri-Ac C26H32O11 520.194461 NA MeJP NA NA +MJ076711 3,3',4,4',9,9'-Hexahydroxylignan, 3,4;3',4'-Bis(methylene) ether, 9-O-?-D-glucopyranoside C26H32O11 520.194461 NA MeJP NA NA +MJ076712 3,3',4,4',9,9'-Hexahydroxylignan, 3,4:3',4'-Bis(methylene) ether, 9-O-?-D-glucopyranoside C26H32O11 520.194461 NA MeJP NA NA +MJ076713 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 4'-O-?-D-glucopyranoside C26H32O11 520.194461 NA MeJP NA NA +MJ076714 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 9'-O-?-D-glucopyranoside C26H32O11 520.194461 NA MeJP NA NA +MJ076715 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 9-O-?-D-glucopyranoside C26H32O11 520.194461 NA MeJP NA NA +MJ076716 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 4'-O-?-D-glucopyranoside C26H32O11 520.194461 NA MeJP NA NA +MJ076717 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 9'-O-?-D-glucopyranoside C26H32O11 520.194461 NA MeJP NA NA +MJ076718 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 4'-O-?-D-glucopyranoside C26H32O11 520.194461 NA MeJP NA NA +MJ076719 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 9'-O-?-D-glucopyranoside C26H32O11 520.194461 NA MeJP NA NA +MJ076720 Baenzigeride A; O-?-D-Glucopyranoside C26H32O11 520.194461 NA MeJP NA NA +MJ076721 Bruceolide; 15-(3-Methyl-2-butenoyl) C26H32O11 520.194461 NA MeJP NA NA +MJ076722 Bruceosin C26H32O11 520.194461 NA MeJP NA NA +MJ076723 Camaldulenside C26H32O11 520.194461 NA MeJP NA NA +MJ076724 Cypellocarpin B; 2-Deoxy, 2,3-didehydro C26H32O11 520.194461 NA MeJP NA NA +MJ076725 Dehydrobruceolide; 15-(3-Methylbutanoyl) C26H32O11 520.194461 NA MeJP NA NA +MJ076726 Icariside E5; 9'-Aldehyde C26H32O11 520.194461 NA MeJP NA NA +MJ076727 Matairesinol, 4'-O-?-D-Glucopyranoside C26H32O11 520.194461 NA MeJP NA NA +MJ076728 Pinoresinol, 4-O-?-D-Glucopyranoside C26H32O11 520.194461 NA MeJP NA NA +MJ076729 Pinoresinol, 7'-Epimer, 4-O-?-D-glucopyranoside C26H32O11 520.194461 NA MeJP NA NA +MJ076730 Pinoresinol, O-?-D-Glucopyranoside C26H32O11 520.194461 NA MeJP NA NA +MJ076731 Rubratoxin A C26H32O11 520.194461 NA MeJP NA NA +MJ076732 Trachelosiaside C26H32O11 520.194461 NA MeJP NA NA +C08754 Brusatol C26H32O11 520.1945 NA KEGG NA NA +C17529 (-)-Pinoresinol glucoside C26H32O11 520.1945 NA KEGG NA NA +PJ003635 NQEM C19H32N6O9S 520.1952 NA PeJP NA NA +PJ003636 CNER C18H32N8O8S 520.2064 NA PeJP NA NA +MJ076733 4,4'-Dihydroxy-3,3'-dimethoxy-9,9'-epoxylignan; 4-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) C30H32O8 520.209718 NA MeJP NA NA +MJ076734 7-Methoxy-8-[[2-[2-(7-methoxy-2-oxo-2H-1-benzopyran-8-yl)-1,1-dimethylethyl]-5,5-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-1-benzopyran-2-one C30H32O8 520.209718 NA MeJP NA NA +MJ076735 Gomisin O; Benzoyl C30H32O8 520.209718 NA MeJP NA NA +MJ076736 Isogomisin O; Benzoyl C30H32O8 520.209718 NA MeJP NA NA +PJ003637 GQMW C23H32N6O6S 520.2104 NA PeJP NA NA +MJ076737 1,4-Bis[(diphenylamino)carbonyl]-2-piperazinecarboxylic acid C31H28N4O4 520.211055 NA MeJP NA NA +MJ076738 Elinafide C31H28N4O4 520.211055 NA MeJP NA NA +PJ003638 GSTQE C19H32N6O11 520.2129 NA PeJP NA NA +PJ003639 APCCK C20H36N6O6S2 520.2138 NA PeJP NA NA +PJ003640 NNHH C20H28N10O7 520.2143 NA PeJP NA NA +MJ076739 Deacylsuspensolide; 1-O-(2-Methylbutanoyl), 10-Ac C23H36O13 520.215591 NA MeJP NA NA +MJ076740 Deacylsuspensolide; 1-O-(3-Methylbutanoyl), 10-Ac C23H36O13 520.215591 NA MeJP NA NA +MJ076741 Deacylsuspensolide; 1-O-(3-Methylbutanoyl), 7-Ac C23H36O13 520.215591 NA MeJP NA NA +PJ003641 PEEF C24H32N4O9 520.217 NA PeJP NA NA +PJ003642 LEEM C21H36N4O9S 520.2203 NA PeJP NA NA +MJ076742 Alisamycin C29H32N2O7 520.220951 NA MeJP NA NA +MJ076743 Antibiotic EI 1511-5 C29H32N2O7 520.220951 NA MeJP NA NA +MJ076744 Antibiotic U 56407 C29H32N2O7 520.220951 NA MeJP NA NA +MJ076745 Poetamine C29H32N2O7 520.220951 NA MeJP NA NA +PJ003643 GCRW C22H32N8O5S 520.2217 NA PeJP NA NA +MJ076746 9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione, 17,21-Dipropanoyl C28H37ClO7 520.222781 NA MeJP NA NA +MJ076747 Alclometasone; 17,21-Dipropanoyl C28H37ClO7 520.222781 NA MeJP NA NA +MJ076748 Jaborochlorodiol; 4,5-Dihydro, 5?-hydroxy C28H37ClO7 520.222781 NA MeJP NA NA +MJ076749 Jaborosalactone P; 5?-Chloro, 6?-hydroxy, 5,6-dihydro C28H37ClO7 520.222781 NA MeJP NA NA +MJ076750 Physalolactone C C28H37ClO7 520.222781 NA MeJP NA NA +C07813 Beclomethasone dipropionate C28H37ClO7 520.2228 NA KEGG NA NA +PJ003644 GSSDR C18H32N8O10 520.2242 NA PeJP NA NA +MJ076751 Ciprocinonide C28H34F2O7 520.227259 NA MeJP NA NA +PJ003645 STQW C23H32N6O8 520.2282 NA PeJP NA NA +MJ076752 14,15-Epoxy-4-isocedrene-1,3,14,15-tetrol, 3-(2,3-Epoxy-2-methylbutanoyl), 1-propanoyl, 14,15-di-Ac C27H36O10 520.230847 NA MeJP NA NA +MJ076753 3',4,4'5,9'-Pentahydroxy-2,7'-cyclolignan, 3',4,5-Tri-Me ether, 9'-O-?-D-glucopyranoside C27H36O10 520.230847 NA MeJP NA NA +MJ076754 Calamin C27H36O10 520.230847 NA MeJP NA NA +MJ076755 Myricanol; 5-O-?-D-Glucopyranoside C27H36O10 520.230847 NA MeJP NA NA +PJ003646 NKEM C20H36N6O8S 520.2316 NA PeJP NA NA +MJ076756 Cyclo(prolyltyrosylprolyltyrosyl) C28H32N4O6 520.232184 NA MeJP NA NA +MJ076757 Asterriquinone; Mono-Me ether C33H32N2O4 520.236207 NA MeJP NA NA +PJ003647 VEHH C22H32N8O7 520.2394 NA PeJP NA NA +8140 synthetic peptide YPEL 520.241 stimulating Inhouse_peptide NA peptide +MJ076758 [5-[Octahydro-7a-methyl-1-[1-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)-2-pentynyl]cyclopropyl]-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol C27H34F6O3 520.241214 NA MeJP NA NA +MJ076759 Antimycin A7; Antimycin A7a C26H36N2O9 520.24208 NA MeJP NA NA +MJ076760 Antimycin A7; Antimycin A7b C26H36N2O9 520.24208 NA MeJP NA NA +MJ076761 Antimycin A; Antimycin A3 C26H36N2O9 520.24208 NA MeJP NA NA +PJ003648 SQMR C19H36N8O7S 520.2428 NA PeJP NA NA +PJ003649 AHFF C27H32N6O5 520.2434 NA PeJP NA NA +MJ076762 1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 9-Cinnamoyl, 1-benzoyl C31H36O7 520.246103 NA MeJP NA NA +MJ076763 1,6,9-Trihydroxydihydro-?-agarofuran, 6,9-Dibenzoyl, 1-Ac C31H36O7 520.246103 NA MeJP NA NA +PJ003650 GKMW C24H36N6O5S 520.2468 NA PeJP NA NA +MJ076764 6,7-Dihydro-1'-methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]carbonyl]spiro[2H-furo[2,3-f]indole-3(5H),4-piperidine] C32H32N4O3 520.24744 NA MeJP NA NA +MJ076765 Okaramine A C32H32N4O3 520.24744 NA MeJP NA NA +MJ076766 Okaramine H C32H32N4O3 520.24744 NA MeJP NA NA +PJ003651 GSTKE C20H36N6O10 520.2493 NA PeJP NA NA +7388 celiac sprue gluten epitope found in hordein QQPQLPHGH 520.2495 MH2+ Inhouse_peptide NA peptide +MJ076767 5,6-Epoxy-7-megastigmene-3,9-diol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C24H40O12 520.251976 NA MeJP NA NA +MJ076768 6,9-Dihydroxy-4,7-megastigmadien-3-one, 7,8-Dihydro, 9-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C24H40O12 520.251976 NA MeJP NA NA +MJ076769 6,9-Dihydroxy-7-megastigmen-3-one, 9-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C24H40O12 520.251976 NA MeJP NA NA +PJ003652 PLEY C25H36N4O8 520.2533 NA PeJP NA NA +PJ003653 SCRR C18H36N10O6S 520.254 NA PeJP NA NA +MJ076770 Ajmaline; 17-O-(3,4,5-Trimethoxybenzoyl) C30H36N2O6 520.257336 NA MeJP NA NA +PJ003654 GSTTR C19H36N8O9 520.2605 NA PeJP NA NA +PJ003655 STKW C24H36N6O7 520.2646 NA PeJP NA NA +MJ076771 1,3(20),10,13,15-Phytapentaene-1,16,17,19,20-pentol, 1,16,17,20-Tetra-Ac C28H40O9 520.267232 NA MeJP NA NA +MJ076772 16-Kaurene-1,3,7,11,15-pentol, 1,3,7,15-Tetra-Ac C28H40O9 520.267232 NA MeJP NA NA +MJ076773 2,3,5,12,14,20-Hexahydroxy-6,22-dioxoergost-7-en-26,28-olide, 5-Deoxy C28H40O9 520.267232 NA MeJP NA NA +MJ076774 2,5,9,10-Tetrahydroxy-4(20)-taxen-13-one, Tetra-Ac C28H40O9 520.267232 NA MeJP NA NA +MJ076775 2,9,12,14-Tetrahydroxy-5,8(17)-briaradien-18,7-olide; 2-Butanoyl, 9,14-di-Ac C28H40O9 520.267232 NA MeJP NA NA +MJ076776 3,14-Dihydroxypregn-5-ene-11,15,20-trione, 3-O-?-D-Digitaloside C28H40O9 520.267232 NA MeJP NA NA +MJ076777 4(20),11-Taxadiene-1,5,7,9,10-pentol, 1,7,9,10-Tetra-Ac C28H40O9 520.267232 NA MeJP NA NA +MJ076778 4(20),11-Taxadiene-2,5,7,10,14-pentol, 2,5,10,14-Tetra-Ac C28H40O9 520.267232 NA MeJP NA NA +MJ076779 4(20),11-Taxadiene-2,5,9,10,13-pentol, 2,9,10,13-Tetra-Ac C28H40O9 520.267232 NA MeJP NA NA +MJ076780 4(20),11-Taxadiene-5,7,9,10,13-pentol, 7,9,10,13-Tetra-Ac C28H40O9 520.267232 NA MeJP NA NA +MJ076781 4(20),11-Taxadiene-5,9,10,13,14-pentol, 5,9,10,13-Tetra-Ac C28H40O9 520.267232 NA MeJP NA NA +MJ076782 5,6,14,15,17,20-Hexahydroxy-1-oxowitha-2,24-dienone C28H40O9 520.267232 NA MeJP NA NA +MJ076783 6,13-Epoxy-3,8(19)-eunicelladiene-2,9,12,15-tetrol, Tetra-Ac C28H40O9 520.267232 NA MeJP NA NA +MJ076784 Chlorodesmin; 10,11-Dihydro C28H40O9 520.267232 NA MeJP NA NA +MJ076785 Glaucogenin A; 3-O-?-D-Oleandropyranoside C28H40O9 520.267232 NA MeJP NA NA +MJ076786 Glaucogenin C; 3-O-?-D-Thevetoside C28H40O9 520.267232 NA MeJP NA NA +MJ076787 Ingol; 2,3-Diepimer, 8-(2-methylpropanoyl), 7,12-di-Ac C28H40O9 520.267232 NA MeJP NA NA +MJ076788 O-Demethylstriatin C; O15-Me, 30-Ac C28H40O9 520.267232 NA MeJP NA NA +MJ076789 Sacoglossan C28H40O9 520.267232 NA MeJP NA NA +MJ076790 Withaperuvin C28H40O9 520.267232 NA MeJP NA NA +PJ003656 DKKM C21H40N6O7S 520.2679 NA PeJP NA NA +MJ076791 Nummularine S C29H36N4O5 520.26857 NA MeJP NA NA +MJ076792 Paliurine E; N,O-Di-de-Me C29H36N4O5 520.26857 NA MeJP NA NA +MJ076793 Tscheschamine C29H36N4O5 520.26857 NA MeJP NA NA +PJ003657 AQFR C23H36N8O6 520.2758 NA PeJP NA NA +PJ003658 SKMR C20H40N8O6S 520.2792 NA PeJP NA NA +MJ076794 3-Libocedroxythymoquinone C32H40O6 520.282489 NA MeJP NA NA +MJ076795 Epolone A C32H40O6 520.282489 NA MeJP NA NA +PJ003659 SSSLK C21H40N6O9 520.2857 NA PeJP NA NA +3360 NA VKAGF 520.288 celiac toxic Inhouse_peptide NA peptide +8131 peptide derived from dried bonito FVAGK 520.288 anticancer Inhouse_peptide NA peptide +PJ003660 LLEF C26H40N4O7 520.2897 NA PeJP NA NA +MJ076796 Talassicumine C C31H40N2O5 520.293722 NA MeJP NA NA +PJ003661 VQKF C25H40N6O6 520.301 NA PeJP NA NA +C08816 Cyasterone C29H44O8 520.3036 NA KEGG NA NA +C11300 Soraphen A C29H44O8 520.3036 NA KEGG NA NA +MJ076797 18,19-Epoxy-12,14-clerodadiene-2,6,18,19-tetrol, 2-(2-Methylbutanoyl), 18,19-di-Ac C29H44O8 520.303618 NA MeJP NA NA +MJ076798 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-ribo-hexopyranoside) C29H44O8 520.303618 NA MeJP NA NA +MJ076799 3,12,14-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-ribo-hexopyranoside) C29H44O8 520.303618 NA MeJP NA NA +MJ076800 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-ribo-hexopyranoside) C29H44O8 520.303618 NA MeJP NA NA +MJ076801 3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-gulopyranoside) C29H44O8 520.303618 NA MeJP NA NA +MJ076802 3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-D-allopyranoside) C29H44O8 520.303618 NA MeJP NA NA +MJ076803 3,14-Dihydroxycard-20(22)-enolide, 3-O-?-D-Fucopyranoside C29H44O8 520.303618 NA MeJP NA NA +MJ076804 3,14-Dihydroxycard-20(22)-enolide, 3-O-[6-Deoxy-?-D-glucopyranosyl] C29H44O8 520.303618 NA MeJP NA NA +MJ076805 3,14-Dihydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H44O8 520.303618 NA MeJP NA NA +MJ076806 3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-allopyranoside) C29H44O8 520.303618 NA MeJP NA NA +MJ076807 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-ribo-hexopyranoside) C29H44O8 520.303618 NA MeJP NA NA +MJ076808 4(20),11-Taxadiene-2,5,10,14-tetrol, 14-(3-Hydroxy-2-methylbutanoyl), 2,5-di-Ac C29H44O8 520.303618 NA MeJP NA NA +MJ076809 4(20),11-Taxadiene-2,5,10,14-tetrol, 14-(3R-Hydroxy-2S-methylbutanoyl), 2,5-di-Ac C29H44O8 520.303618 NA MeJP NA NA +MJ076810 8(17),14-Labdadiene-2,3,7,13,20-pentol, 2-Angeloyl, 3,20-di-Ac C29H44O8 520.303618 NA MeJP NA NA +MJ076811 8,14-Labdadiene-2,3,7,13,20-pentol, 2-Angeloyl, 3,20-di-Ac C29H44O8 520.303618 NA MeJP NA NA +MJ076812 Baconipyrone A C29H44O8 520.303618 NA MeJP NA NA +MJ076813 Baconipyrone C C29H44O8 520.303618 NA MeJP NA NA +MJ076814 Caloudrin B C29H44O8 520.303618 NA MeJP NA NA +MJ076815 Cyasterone C29H44O8 520.303618 NA MeJP NA NA +MJ076816 Precyasterone C29H44O8 520.303618 NA MeJP NA NA +MJ076817 Siphonarin B C29H44O8 520.303618 NA MeJP NA NA +MJ076818 Soraphen A C29H44O8 520.303618 NA MeJP NA NA +MJ076819 Vulgaroside; 24,25-Di-Ac C29H44O8 520.303618 NA MeJP NA NA +MJ076820 Adouetine Y'; N-De-Me C30H40N4O4 520.304955 NA MeJP NA NA +MJ076821 Integerrenine; N-De-Me C30H40N4O4 520.304955 NA MeJP NA NA +MJ076822 Sanjoinine B C30H40N4O4 520.304955 NA MeJP NA NA +MJ076823 Sativanine A C30H40N4O4 520.304955 NA MeJP NA NA +PJ003662 AKFR C24H40N8O5 520.3122 NA PeJP NA NA +7561 ACE inhibitor from soy hydrolysate IYLL 520.315 antioxidative Inhouse_peptide NA peptide +MJ076824 Quaesitol C33H44O5 520.318874 NA MeJP NA NA +MJ076825 Cycloart-24-ene-3,23-diol, 23-Ketone, 3-O-sulfate C30H48O5S 520.322245 NA MeJP NA NA +PJ003663 LLLY C27H44N4O6 520.3261 NA PeJP NA NA +MJ076826 6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-(14-Methylhexadecanoyl) C32H44N2O4 520.330107 NA MeJP NA NA +CJpos0814 1-Linoleoylglycerophosphocholine GPCho(18:2) [(M+H)]+ (13C) C2513CH51NO7P 520.335275 C18rt(min)=11.17 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0814 1-Linoleoylglycerophosphocholine GPCho(18:2) [(M+H)]+ (13C) C2513CH51NO7P 520.335275 C18rt(min)=11.17 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +PJ003664 VKKF C26H44N6O5 520.3373 NA PeJP NA NA +MJ076827 Antibiotic WA 3854; Antibiotic WA 3854D C26H44N6O5 520.337318 NA MeJP NA NA +C08804 Cucurbitacin P C30H48O7 520.34 NA KEGG NA NA +MJ076828 1,2,3,19,23-Pentahydroxy-12-ursen-28-oic acid C30H48O7 520.340003 NA MeJP NA NA +MJ076829 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 2,3-O-Isopropylidene C30H48O7 520.340003 NA MeJP NA NA +MJ076830 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 20,22-O-Isopropylidene C30H48O7 520.340003 NA MeJP NA NA +MJ076831 2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione, 23,24-Dihydro C30H48O7 520.340003 NA MeJP NA NA +MJ076832 2,3,16,21,23-Pentahydroxy-12-oleanen-28-oic acid C30H48O7 520.340003 NA MeJP NA NA +MJ076833 2,3,16,23,24-Pentahydroxy-12-oleanen-28-oic acid C30H48O7 520.340003 NA MeJP NA NA +MJ076834 2,3,19,23,24-Pentahydroxy-12-oleanen-28-oic acid C30H48O7 520.340003 NA MeJP NA NA +MJ076835 2,3,19,23,24-Pentahydroxy-12-ursen-28-oic acid C30H48O7 520.340003 NA MeJP NA NA +MJ076836 2,3,6,16,23-Pentahydroxy-12-oleanen-28-oic acid C30H48O7 520.340003 NA MeJP NA NA +MJ076837 2,3,6,19,23-Pentahydroxy-12-oleanen-28-oic acid C30H48O7 520.340003 NA MeJP NA NA +MJ076838 2,3,6,19,23-Pentahydroxy-12-ursen-28-oic acid C30H48O7 520.340003 NA MeJP NA NA +MJ076839 2,3,7,19,23-Pentahydroxy-12-ursen-28-oic acid C30H48O7 520.340003 NA MeJP NA NA +MJ076840 2,9:3,16-Diepoxy-7(19)-asbestinene-4,6,11-triol, 4-Octanoyl, 11-Ac C30H48O7 520.340003 NA MeJP NA NA +MJ076841 2,9:3,16-Diepoxy-7-asbestinene-4,6,11-triol, 4-Octanoyl, 11-Ac C30H48O7 520.340003 NA MeJP NA NA +MJ076842 7,22,24,25-Tetrahydroxyergosta-1,4-dien-3-one, 1,2-Dihydro, 1?-acetoxy C30H48O7 520.340003 NA MeJP NA NA +MJ076843 8(17),14-Labdadiene-2,3,7,13,20-pentol, 2-Angeloyl, 20-(2-methylbutanoyl) C30H48O7 520.340003 NA MeJP NA NA +MJ076844 Ajugasterone C; 20,22-Acetonide C30H48O7 520.340003 NA MeJP NA NA +MJ076845 Hippuristanol; 22-Epimer, 2?-Hydroxy, 3-Ac C30H48O7 520.340003 NA MeJP NA NA +MJ076846 Hippuristanol; 2?-Acetoxy C30H48O7 520.340003 NA MeJP NA NA +MJ076847 Pregn-20-ene-3,4-diol, 4-O-(2-O-Acetyl-6-deoxy-3-O-methyl-?-L-galactopyranoside) C30H48O7 520.340003 NA MeJP NA NA +C04100 1-Linoleoylglycerophosphocholine C26H51NO7P 520.3403 NA KEGG NA NA +MJ076848 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-(4-Hexyloxyphenyl)propanoyl C34H48O4 520.35526 NA MeJP NA NA +MJ076849 Buxanoldine C33H48N2O3 520.366493 NA MeJP NA NA +MJ076850 Buxarine F C33H48N2O3 520.366493 NA MeJP NA NA +MJ076851 Buxidienine I; N20,N20-Di-Me, N3-benzoyl C33H48N2O3 520.366493 NA MeJP NA NA +MJ076852 Cyclomicrophylline I; N20,N20-Di-Me, N3-benzoyl C33H48N2O3 520.366493 NA MeJP NA NA +MJ076853 Cycloxobuxoline I; N3-Benzoyl, N20,N20-di-Me C33H48N2O3 520.366493 NA MeJP NA NA +MJ076854 1,3,24-Trihydroxy-24-(hydroxymethyl)cycloartan-28-oic acid C31H52O6 520.376389 NA MeJP NA NA +MJ076855 3,19-Epoxydammar-20(22)-ene-3,11,23,24,25-pentol; 25-Me ether C31H52O6 520.376389 NA MeJP NA NA +MJ076856 Cholestane-3,6,22,25-tetrol, 3,6-Di-Ac C31H52O6 520.376389 NA MeJP NA NA +MJ076857 Toosendanpentol; 21-Me ether C31H52O6 520.376389 NA MeJP NA NA +MJ076858 1,9,16-Heptadecatriene-4,6-diyn-3-ol, 9,10-Epoxide, 9,12-octadecadienoyl(Z,Z-) C35H52O3 520.391645 NA MeJP NA NA +MJ076859 20,31-Pentatriacontadiene-2,4,22,34-tetrayne-1,6,33-triol C35H52O3 520.391645 NA MeJP NA NA +MJ076860 Plagiospirolide C C35H52O3 520.391645 NA MeJP NA NA +MJ076861 Anipamil C34H52N2O2 520.402878 NA MeJP NA NA +MJ076862 Cycloprotobuxoline I; N3-Benzoyl, N3,N20,N20-tri-Me C34H52N2O2 520.402878 NA MeJP NA NA +MJ076863 Sapelenin D C32H56O5 520.412774 NA MeJP NA NA +MJ076864 Stigmast-5-en-3-ol, 4-Hydroxybenzyl ether C36H56O2 520.428031 NA MeJP NA NA +MJ076865 Cyclostellettamine; Cyclostellettamine C C36H60N2 520.475649 NA MeJP NA NA +MJ076866 Cyclostellettamine; Cyclostellettamine D C36H60N2 520.475649 NA MeJP NA NA +MJ076867 3-Methyl-3-buten-1-ol; Triacontanoyl C35H68O2 520.521931 NA MeJP NA NA +MJ076868 5-Hexatriacontanone C36H72O 520.558316 NA MeJP NA NA +MJ076869 5-Methylhexatriacontane C37H76 520.594702 NA MeJP NA NA +MJ076870 Heptatriacontane C37H76 520.594702 NA MeJP NA NA +MJ076871 13,23-Dimethylpentatriacontane C37H76 520.594702 NA MeJP NA NA +7855 NA YGGFMRRVG 520.7522 MH2+ Inhouse_peptide NA peptide +MJ076872 Alternatamide B C17H22Br3N3O 520.9313 NA MeJP NA NA +MJ076873 Heneicosafluorotripropylamine C9F21N 520.969541 NA MeJP NA NA +C06500 5'-Guanosyl-methylene-triphosphate C11H18N5O13P3 521.0114 NA KEGG NA NA +MetaCyc03769 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol [CDP-ME;CDP-methyl-D-erythritol;4-diphosphocytidyl-2C-methyl-D-erythritol;4-diphosphocytidyl-2-C-methylerythritol;] C14H25N3O14P2 521.081176 NA metacyc NA NA +C11435 4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol C14H25N3O14P2 521.0812 NA KEGG NA NA +FL7AACGL0024 Ophrysanin C23H21O14 521.09313 104937-44-2 knapsack NA NA +MJ076874 Dynemicin A; 12-Deoxy C30H19NO8 521.111066 NA MeJP NA NA +MJ076875 Dynemicin A; Aldehyde C30H19NO8 521.111066 NA MeJP NA NA +MJ076876 Endynamicin A; 4-Deoxy C30H19NO8 521.111066 NA MeJP NA NA +PJ003665 GCCCH C17H27N7O6S3 521.1185 NA PeJP NA NA +MJ076877 Polyoxin D C17H23N5O14 521.12415 NA MeJP NA NA +FL7AAHGL0009 Petunidin 3-(6''-acetylglucoside) C24H25O13 521.12951 122731-05-9<BR>129016-21-3 knapsack NA NA +MJ076878 Apalcillin C25H23N5O6S 521.136904 NA MeJP NA NA +MJ076879 10-(Methylthio)decyl glucosinolate; S-Oxide C18H35NO10S3 521.142308 NA MeJP NA NA +PJ003666 PPCCC C19H31N5O6S3 521.1437 NA PeJP NA NA +PJ003667 GCNND C17H27N7O10S 521.154 NA PeJP NA NA +PJ003668 GGGGGCD C17H27N7O10S 521.1541 NA PeJP NA NA +MJ076880 Niceverine C30H23N3O6 521.158685 NA MeJP NA NA +PJ003669 GSDDE C18H27N5O13 521.1606 NA PeJP NA NA +PJ003670 GPCDM C19H31N5O8S2 521.1614 NA PeJP NA NA +MJ076881 Pyridoxine; O1''-Me, O2''-[?-D-glucuronopyranosyl-(1?2)-?-D-glucopyranoside] C21H31NO14 521.174454 NA MeJP NA NA +PJ003671 SDDW C22H27N5O10 521.1758 NA PeJP NA NA +PJ003672 NEEM C19H31N5O10S 521.1792 NA PeJP NA NA +MJ076882 Asaphan C26H33Cl2N3O4 521.184811 NA MeJP NA NA +PJ003673 CDER C18H31N7O9S 521.1904 NA PeJP NA NA +PJ003674 GEMW C23H31N5O7S 521.1944 NA PeJP NA NA +MJ076883 Nalorphine; Dinicotinoyl C31H27N3O5 521.19507 NA MeJP NA NA +PJ003675 GSTEE C19H31N5O12 521.1969 NA PeJP NA NA +PJ003676 GSPMM C20H35N5O7S2 521.1978 NA PeJP NA NA +PJ003677 NDHH C20H27N9O8 521.1983 NA PeJP NA NA +MJ076884 Ravidomycin; O-De-Ac C29H31NO8 521.204966 NA MeJP NA NA +MJ076885 Rocaglatic acid; 3'-Hydroxy, dimethylamide C29H31NO8 521.204966 NA MeJP NA NA +PJ003678 SSSNQ C18H31N7O11 521.2082 NA PeJP NA NA +PJ003679 MWW C27H31N5O4S 521.2097 NA PeJP NA NA +PJ003680 STEW C23H31N5O9 521.2122 NA PeJP NA NA +PJ003681 DKEM C20H35N5O9S 521.2156 NA PeJP NA NA +PJ003682 NNQF C22H31N7O8 521.2234 NA PeJP NA NA +PJ003683 GGGGGAF C22H31N7O8 521.2235 NA PeJP NA NA +MJ076886 Ryanodine; 10-Epimer, 8?-hydroxy, 19,21-didehydro, O4-Me C26H35NO10 521.226096 NA MeJP NA NA +PJ003684 SEMR C19H35N7O8S 521.2268 NA PeJP NA NA +MJ076887 N6-[2-(3,5-Dimethoxyphenyl)-2-(2-methylphenyl)ethyl]adenosine C27H31N5O6 521.227433 NA MeJP NA NA +PJ003685 GPYW C27H31N5O6 521.2275 NA PeJP NA NA +PJ003686 SVMW C24H35N5O6S 521.2308 NA PeJP NA NA +MJ076888 Difenoximide C32H31N3O4 521.231456 NA MeJP NA NA +PJ003687 SSSLE C20H35N5O11 521.2333 NA PeJP NA NA +PJ003688 LQMM C21H39N5O6S2 521.2342 NA PeJP NA NA +PJ003689 TQHH C21H31N9O7 521.2347 NA PeJP NA NA +MJ076889 1,6,9-Trihydroxydihydro-?-agarofuran, 6-(3-Pyridinecarbonyl), 9-benzoyl, 1-Ac C30H35NO7 521.241352 NA MeJP NA NA +MJ076890 9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 20-Aldehyde, 12-(2-methylaminobenzoyl), 13-Ac C30H35NO7 521.241352 NA MeJP NA NA +MJ076891 Faurine; Me ether C30H35NO7 521.241352 NA MeJP NA NA +PJ003690 PCFR C23H35N7O5S 521.2421 NA PeJP NA NA +PJ003691 SSSNK C19H35N7O10 521.2446 NA PeJP NA NA +PJ003692 CLMR C20H39N7O5S2 521.2454 NA PeJP NA NA +PJ003693 PDKY C24H35N5O8 521.2486 NA PeJP NA NA +EUR885 Lyso PE 20:5 [M+Na]+ C25H42NO7P 521.251838 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR885 Lyso PE 20:5 [M+Na]+ C25H42NO7P 521.251838 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR885 Lyso PE 20:5 [M+Na]+ C25H42NO7P 521.251838 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR885 Lyso PE 20:5 [M+Na]+ C25H42NO7P 521.251838 masses lipides attendues Inhousejuil11 NA NA +PJ003694 GTTLM C21H39N5O8S 521.252 NA PeJP NA NA +PJ003695 SPRY C23H35N7O7 521.2598 NA PeJP NA NA +MJ076892 Keitine; 1-Epimer, O4'-?-D-glucopyranoside C27H39NO9 521.262481 NA MeJP NA NA +MJ076893 Keitine; O4'-?-D-Glucopyranoside C27H39NO9 521.262481 NA MeJP NA NA +MJ076894 Staphisadrine C27H39NO9 521.262481 NA MeJP NA NA +PJ003696 GSCKK C20H39N7O7S 521.2632 NA PeJP NA NA +HMDB05777 Morphiceptin C28H35N5O5 521.26379 http://www.hmdb.ca/metabolites/HMDB05777 HMDB NA NA +HMDB05777 Morphiceptin C28H35N5O5 521.26379 HMDB05777 PFEM_hmdb_metabocards_official NA NA +HMDB05777 Morphiceptin C28H35N5O5 521.263794 NA HMDB2010 NA NA +PJ003697 GLFW C28H35N5O5 521.2638 NA PeJP NA NA +MJ076895 Ergobalansine C28H35N5O5 521.263819 NA MeJP NA NA +MJ076896 Tyrosylprolylphenylalanylprolinamide C28H35N5O5 521.263819 NA MeJP NA NA +PJ003698 PKMF C25H39N5O5S 521.2672 NA PeJP NA NA +PJ003699 STTTL C21H39N5O10 521.2697 NA PeJP NA NA +PJ003700 LKMM C22H43N5O5S2 521.2706 NA PeJP NA NA +PJ003701 TKHH C22H35N9O6 521.271 NA PeJP NA NA +EUR852 Lyso PE 18:3 [M+FA-H]- C23H42NO7P 521.274772 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR852 Lyso PE 18:3 [M+FA-H]- C23H42NO7P 521.274772 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR852 Lyso PE 18:3 [M+FA-H]- C23H42NO7P 521.274772 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR852 Lyso PE 18:3 [M+FA-H]- C23H42NO7P 521.274772 masses lipides attendues Inhousejuil11 NA NA +MJ076897 Cytochalasin B; O7-Ac C31H39NO6 521.277737 NA MeJP NA NA +MJ076898 Lythrancine I; 4-Deoxy, di-Ac C31H39NO6 521.277737 NA MeJP NA NA +PJ003702 VLQY C25H39N5O7 521.285 NA PeJP NA NA +PJ003703 ALRY C24H39N7O6 521.2962 NA PeJP NA NA +MJ076899 Delcorine; O6-Ac C28H43NO8 521.298867 NA MeJP NA NA +MJ076900 Neoline; O1,O14-Di-Ac C28H43NO8 521.298867 NA MeJP NA NA +MJ076901 Neoline; O8,O14-Di-Ac C28H43NO8 521.298867 NA MeJP NA NA +MJ076902 Kuramerine C28H44NO8(+) 521.298867 NA MeJP NA NA +PJ003704 PLHR C23H39N9O5 521.3074 NA PeJP NA NA +2812 PEP inhibitor LPPPV 521.308 NA Inhouse_peptide NA peptide +MJ076903 Terpendole I; 17-O-(3-Methyl-2-butenyl) C32H43NO5 521.314123 NA MeJP NA NA +MJ076904 AAL Toxin; AAL Toxin TA1 C25H47NO10 521.319996 NA MeJP NA NA +MJ076905 AAL Toxin; AAL Toxin TA2 C25H47NO10 521.319996 NA MeJP NA NA +PJ003705 VLKY C26H43N5O6 521.3213 NA PeJP NA NA +PJ003706 PPPVL C26H43N5O6 521.3214 NA PeJP NA NA +MJ076906 Dihydrogadesine; O1-Me, O14-(2-methylbutanoyl) C29H47NO7 521.335252 NA MeJP NA NA +MJ076907 Mycinamycin VI; 21-Demycinosyl C29H47NO7 521.335252 NA MeJP NA NA +C15683 Mycinamicin VII C29H47NO7 521.3353 NA KEGG NA NA +EUR526 18 :1 Lyso PC F1 NA 521.346125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR526 18 :1 Lyso PC F1 NA 521.346125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR526 18 :1 Lyso PC F1 NA 521.346125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR526 18 :1 Lyso PC F1 NA 521.346125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR526 18 :1 Lyso PC F1 NA 521.346125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR526 18 :1 Lyso PC F1 NA 521.346125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR526 18 :1 Lyso PC F1 NA 521.346125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR526 18 :1 Lyso PC F1 NA 521.346125 standards wishlist analysés sur QTOF HMDB NA NA +EUR526 18 :1 Lyso PC F1 NA 521.346125 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR526 18 :1 Lyso PC F1 NA 521.346125 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR526 18 :1 Lyso PC F1 NA 521.346125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR526 18 :1 Lyso PC F1 NA 521.346125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +CJpos0815 1-Oleoylglycerophosphocholine LysoPC(18:1) [(M+H)]+ C26H53NO7P 521.347575 C18rt(min)=12 Pos putatively characterized a banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0815 1-Oleoylglycerophosphocholine LysoPC(18:1) [(M+H)]+ C26H53NO7P 521.347575 C18rt(min)=12 Pos putatively characterized a base_CJunot_PubAnalChem2012_POS positive NA +EUR664 Lyso PC 18:1 monoisotopic mass C26H52NO7P 521.348142 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR896 Lyso PE 22:1 [M-H-CH3]- C27H54NO7P 521.348142 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR664 Lyso PC 18:1 monoisotopic mass C26H52NO7P 521.348142 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR896 Lyso PE 22:1 [M-H-CH3]- C27H54NO7P 521.348142 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR664 Lyso PC 18:1 monoisotopic mass C26H52NO7P 521.348142 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR896 Lyso PE 22:1 [M-H-CH3]- C27H54NO7P 521.348142 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR664 Lyso PC 18:1 monoisotopic mass C26H52NO7P 521.348142 masses lipides attendues Inhousejuil11 NA NA +EUR896 Lyso PE 22:1 [M-H-CH3]- C27H54NO7P 521.348142 masses lipides attendues Inhousejuil11 NA NA +HMDB02815 LysoPC(18:1(9Z)) C26H52NO7P 521.348145 NA HMDB2010 NA NA +HMDB10385 LysoPC(18:1(11Z)) C26H52NO7P 521.348145 NA HMDB2010 NA NA +EUR589 LysoPC(18:1) NA 521.348175 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR589 LysoPC(18:1) [M+H]+ 521.348175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR589 LysoPC(18:1) NA 521.348175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR589 LysoPC(18:1) [M+H]+ 521.348175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR589 LysoPC(18:1) NA 521.348175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR589 LysoPC(18:1) [M+H]+ 521.348175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR589 LysoPC(18:1) NA 521.348175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR589 LysoPC(18:1) NA 521.348175 identifiés dans sérum NuGO HMDB NA NA +EUR589 LysoPC(18:1) NA 521.348175 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR589 LysoPC(18:1) [M+H]+ 521.348175 identifies dans serum NuGO Inhousejuil11 NA NA +EUR589 LysoPC(18:1) NA 521.348175 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR589 LysoPC(18:1) NA 521.348175 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +MLBis013 Lysophosphatidylcholine 18 1 9Z HMDB02815_RT15.85_add 521.3488 Mlbis PFEM_hmdb_metabocards_urine NA urine +MLBis013 Lysophosphatidylcholine 18 1 9Z HMDB02815_RT15.85_add 521.3488 Mlbis BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +MLBis013 Lysophosphatidylcholine 18 1 9Z HMDB02815_RT15.85_add 521.3488 Mlbis Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +MLBis013 Lysophosphatidylcholine 18 1 9Z HMDB02815_RT15.85_add 521.3488 Mlbis banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +MLBis013 Lysophosphatidylcholine 18 1 9Z HMDB02815_RT15.85_add 521.3488 Mlbis HMDB NA NA +MLBis013 Lysophosphatidylcholine 18 1 9Z HMDB02815_RT15.85_add 521.3488 Mlbis Inhouse_PFEM NA NA +MLBis013 Lysophosphatidylcholine 18 1 9Z HMDB02815_RT15.85_add 521.3488 Mlbis PFEM_hmdb_metabocards_blood NA blood +MLBis013 Lysophosphatidylcholine 18 1 9Z HMDB02815_RT15.85_add 521.3488 Mlbis PFEM_hmdb_metabocards_official NA NA +MJ076908 Indanomycin; Homologue (R = CH2CH3), 4-methyl C33H47NO4 521.350508 NA MeJP NA NA +MJ076909 Bismuth iodosubgallate C7H6BiIO6 521.901289 NA MeJP NA NA +MJ076910 Tribromospirocacoxanthene; Ac C18H21Br3O3 521.904082 NA MeJP NA NA +MJ076911 Mercury(I) acetate C4H6Hg2O4 521.967859 NA MeJP NA NA +MJ076912 Bromotetracycline C22H23BrN2O8 522.063778 NA MeJP NA NA +MJ076913 Lodazecar C22H24BrClN4O4 522.066945 NA MeJP NA NA +MJ076914 ?-Rubromycin C26H18O12 522.079826 NA MeJP NA NA +MJ076915 Tenuecyclamide C; 14-S-Oxide C20H22N6O5S3 522.081379 NA MeJP NA NA +MJ076916 Cassiamin C; 6-Hydroxy C30H18O9 522.095082 NA MeJP NA NA +MJ076917 Kudzuisoflavone A; 5-Hydroxy C30H18O9 522.095082 NA MeJP NA NA +MJ076918 Madagascarin; 6'-Deoxy C30H18O9 522.095082 NA MeJP NA NA +MJ076919 Roseoskyrin C30H18O9 522.095082 NA MeJP NA NA +MJ076920 Siameanin; 7-Hydroxy C30H18O9 522.095082 NA MeJP NA NA +MJ076921 Skyrin, 2'-Deoxy C30H18O9 522.095082 NA MeJP NA NA +MJ076922 Pinnaterpene A; 18-Hydroxy C22H36Br2O4 522.098034 NA MeJP NA NA +FL5FAIGS0003 Syringetin 3-glucuronide C23H22O14 522.10095 - knapsack NA NA +FL5FECGS0014 Spinatoside C23H22O14 522.10095 65039-74-9 knapsack NA NA +FL5FECGS0040 Quercetagetin 7-(6''-acetylglucoside) C23H22O14 522.10095 168293-29-6 knapsack NA NA +MJ076923 3',4',5,7-Tetrahydroxy-3,6-dimethoxyflavone; 4'-O-?-D-Glucuronopyranoside C23H22O14 522.100955 NA MeJP NA NA +MJ076924 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-(6-O-Acetyl-?-D-galactopyranoside) C23H22O14 522.100955 NA MeJP NA NA +MJ076925 3,3',4',5,6,7-Hexahydroxyflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) C23H22O14 522.100955 NA MeJP NA NA +MJ076926 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-(Acetyl-?-D-glucopyranoside) C23H23O14(+) 522.100955 NA MeJP NA NA +MJ076927 Cefoselis C19H22N8O6S2 522.110371 NA MeJP NA NA +C11210 Cefoselis C19H22N8O6S2 522.1104 NA KEGG NA NA +C11211 Transferred to D01054 C19H22N8O6S2 522.1104 NA KEGG NA NA +C02539 Fenprofen calcium C18H22O5S 522.1355 NA KEGG NA NA +C10465 Iridin C24H26O13 522.1373 NA KEGG NA NA +MJ076928 1,2,4,5,6,7-Hexahydroxy-3-methylanthraquinone; 5,6,7-Tri-Me ether, 2-O-?-D-glucopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076929 1,7-Dihydroxyxanthone; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C24H26O13 522.13734 NA MeJP NA NA +MJ076930 2',3,4',5,5',7-Hexahydroxyflavone; 3,4',7-Tri-Me ether, 2'-O-?-D-glucopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076931 2',5,6',7,8-Pentahydroxyflavanone, 6',7,8-Tri-Me ether, 2'-O-?-D-glucuronopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076932 2',5,6,6',7,8-Hexahydroxyflavone; 6,7,8-Tri-Me ether, 2'-O-?-D-glucopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076933 3',4',5,5',6,7-Hexahydroxyisoflavone; 3',4',6-Tri-Me ether, 7-O-?-D-glucopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076934 3',4',5,5',6,7-Hexahydroxyisoflavone; 3',5',6-Tri-Me ether, 7-O-?-D-glucopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076935 3',4',5-Trihydroxy-3,6,7-trimethoxyflavone; 4'-O-?-D-Glucopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076936 3',5,6-Trihydroxy-3,4',7-trimethoxyflavone; 3'-O-?-D-Glucopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076937 3',5,6-Trihydroxy-3,4',7-trimethoxyflavone; 6-O-?-D-Glucopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076938 3',5,7-Trihydroxy-3,4',6-trimethoxyflavone; 7-O-?-D-Glucopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076939 3,3',4',5,5',7,8-Heptahydroxyflavone; 3',5,8-Tri-Me ether, 3-O-?-L-rhamnopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076940 3,3',4',5,6,7-Hexahydroxyflavone; 3',4',6-Tri-Me ether, 3-O-?-D-glucopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076941 3,3',4',5,7,8-Hexahydroxyflavone; 3',4',7-Tri-Me ether, 8-O-?-D-glucopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076942 3,4-Dihydro-4,5,8-trihydroxy-1(2H)-naphthalenone, 5-O-[(3,5-Dihydroxy-4-methoxybenzoyl)-(?6)-?-D-glucopyranoside] C24H26O13 522.13734 NA MeJP NA NA +MJ076943 3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-(3,4-Dihydroxy-E-cinnamoyl), 4-O-?-D-glucopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076944 3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-[?-D-Glucopyranosyl-(?3)-3,4-dihydroxy-E-cinnamoyl] C24H26O13 522.13734 NA MeJP NA NA +MJ076945 4',5,6-Trihydroxy-3,3',7-trimethoxyflavone; 6-O-?-D-Glucopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076946 4',5,7-Trihydroxy-3',6,8-trimethoxyflavone; 4'-O-?-D-Glucopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076947 4',5,7-Trihydroxy-3',6,8-trimethoxyflavone; 7-O-?-D-Glucopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076948 4',5,7-Trihydroxy-3,3',6-trimethoxyflavone; 5-O-?-D-Glucopyranoside C24H26O13 522.13734 NA MeJP NA NA +MJ076949 4',5,7-Trihydroxy-3,3',6-trimethoxyflavone; 7-O-?-D-Glucopyranoside C24H26O13 522.13734 NA MeJP NA NA +FL2FF8GS0001 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone 2'-O-glucuronide C24H26O13 522.13734 112408-69-2 knapsack NA NA +FL3FG8GS0001 5,2',6'-Trihydroxy-6,7,8-trimethoxyflavone 2'-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-6-hydroxyphenyl]-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one C24H26O13 522.13734 168293-26-3 knapsack NA NA +FL3FGCGS0005 5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-glucoside C24H26O13 522.13734 70575-23-4 knapsack NA NA +FL3FGCGS0006 5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 4'-glucoside C24H26O13 522.13734 70575-17-6 knapsack NA NA +FL5FALGS0002 Chrysosplenoside A C24H26O13 522.13734 23615-30-7 knapsack NA NA +FL5FECGL0013 Quercetagetin 6,3',4'-trimethyl ether 3-glucoside C24H26O13 522.13734 144599-13-3 knapsack NA NA +FL5FECGS0023 Chrysosplenoside D C24H26O13 522.13734 25321-00-0 knapsack NA NA +FL5FECGS0024 Jaceidin 5-glucoside C24H26O13 522.13734 151590-53-3 knapsack NA NA +FL5FECGS0025 Jacein C24H26O13 522.13734 35305-11-4 knapsack NA NA +FL5FECGS0029 Centaurein C24H26O13 522.13734 35595-03-0 knapsack NA NA +FL5FECGS0030 Chrysosplenoside C C24H26O13 522.13734 24274-45-1 knapsack NA NA +FL5FECGS0032 Oxyayanin B 6-glucoside C24H26O13 522.13734 71827-16-2 knapsack NA NA +FL5FECGS0033 Oxyayanin B 3'-glucoside C24H26O13 522.13734 71827-12-8 knapsack NA NA +FL5FELGS0005 Tridaxidone;5,7,2'-Trihydroxy-3,6,4'-trimethoxyflavone 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one C24H26O13 522.13734 439147-54-3 knapsack NA NA +FL5FFGGS0003 Hibiscetin 8,3',5'-trimethyl ether 3-rhamnoside;8-Hydroxymyricetin 8,3',5'-trimethyl ether 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-8-methoxy-4H-1-benzopyran-4-one C24H26O13 522.13734 167499-83-4 knapsack NA NA +FL5FGCGS0003 5,4'-Dihydroxy-6,7,8,3'-tetramethoxyflavone 4'-galactoside C24H26O13 522.13734 - knapsack NA NA +FLIAEGGS0001 Irigenin 7-O-glucoside;Iridin C24H26O13 522.13734 491-74-7 knapsack NA NA +FLIAEGGS0002 5,7,4'-Trihydroxy-6,3',5'-trimethoxyisoflavone 7-O-glucoside C24H26O13 522.13734 86849-70-9 knapsack NA NA +MetaCyc03770 rosmarinic acid 3'-O-β-glucoside [] C24H26O13 522.137341 NA metacyc NA NA +PJ003707 GCNDD C17H26N6O11S 522.138 NA PeJP NA NA +PJ003708 GGGCDD C17H26N6O11S 522.1381 NA PeJP NA NA +MJ076950 8-Methoxychlorotetracycline; N-Me C24H27ClN2O9 522.140508 NA MeJP NA NA +PJ003709 SPCCN C18H30N6O8S2 522.1567 NA PeJP NA NA +PJ003710 DEEM C19H30N4O11S 522.1632 NA PeJP NA NA +MJ076951 Candenatone C32H26O7 522.167853 NA MeJP NA NA +MJ076952 Daljanelin A C32H26O7 522.167853 NA MeJP NA NA +MJ076953 Daljanelin B C32H26O7 522.167853 NA MeJP NA NA +MJ076954 Daljanelin C C32H26O7 522.167853 NA MeJP NA NA +C09501 Melampodinin C25H30O12 522.1737 NA KEGG NA NA +MJ076955 2,3-Epoxy-8,9-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(3S-Acetoxy-2R-hydroxy-2-methylbutanoyl), 9-Ac, Me ester C25H30O12 522.173726 NA MeJP NA NA +MJ076956 Arbutin; 4-O-[3-(3,4-Dimethoxybenzoyloxy)-2-methylpropanoyl](R-) C25H30O12 522.173726 NA MeJP NA NA +MJ076957 Arbutin; 6-O-[3-(3,4-Dimethoxybenzoyloxy)-2-methylpropanoyl](R-) C25H30O12 522.173726 NA MeJP NA NA +MJ076958 Aucubigenin; 10-O-(4-Hydroxy-3-methoxycinnamoyl), 1-O-?-D-glucopyranoside C25H30O12 522.173726 NA MeJP NA NA +MJ076959 Cachineside IV; 7-Cinnamoyl C25H30O12 522.173726 NA MeJP NA NA +MJ076960 Catalpol; 10-O-(4-Methoxy-E-cinnamoyl) C25H30O12 522.173726 NA MeJP NA NA +MJ076961 Catalpol; 10-O-(4-Methoxy-Z-cinnamoyl) C25H30O12 522.173726 NA MeJP NA NA +MJ076962 Loganic acid; 7-(4-Hydroxycinnamoyl)(E-) C25H30O12 522.173726 NA MeJP NA NA +MJ076963 Mussaenosidic acid; 2'-(4-Hydroxy-E-cinnamoyl) C25H30O12 522.173726 NA MeJP NA NA +MJ076964 Mussaenosidic acid; 2'-(4-Hydroxy-Z-cinnamoyl) C25H30O12 522.173726 NA MeJP NA NA +MJ076965 Mussaenosidic acid; 6'-O-(4-Hydroxycinnamoyl) C25H30O12 522.173726 NA MeJP NA NA +MJ076966 Tecomoside; 7-(4-Hydroxycinnamoyl) (E-) C25H30O12 522.173726 NA MeJP NA NA +MJ076967 Tecomoside; 8-Epimer, 2'-(4-hydroxycinnamoyl) (E-) C25H30O12 522.173726 NA MeJP NA NA +PJ003711 GSNDM C18H30N6O10S 522.1744 NA PeJP NA NA +PJ003712 DDHH C20H26N8O9 522.1823 NA PeJP NA NA +MJ076968 Rocaglatic acid; 3'-Methoxy, Me ester C29H30O9 522.188982 NA MeJP NA NA +PJ003713 SCQW C22H30N6O7S 522.1897 NA PeJP NA NA +PJ003714 SSSNE C18H30N6O12 522.1922 NA PeJP NA NA +PJ003715 NQMM C19H34N6O7S2 522.1931 NA PeJP NA NA +MJ076969 Asystasioside B; 7,8?-Dihydro C22H34O14 522.194855 NA MeJP NA NA +MJ076970 Deoxyloganic acid; ?-D-Glucopyranosyl ester C22H34O14 522.194855 NA MeJP NA NA +PJ003716 PDEY C23H30N4O10 522.1962 NA PeJP NA NA +MJ076971 Cliviamartine C28H30N2O8 522.200215 NA MeJP NA NA +MJ076972 3,4-Dihydro-5-methoxy-12-methyl-2,8-diphenyl-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-11,13-diol; 5-Me ether C33H30O6 522.204238 NA MeJP NA NA +MJ076973 Dracoflavan B1; 3-Deoxy C33H30O6 522.204238 NA MeJP NA NA +MJ076974 Magnolignan I C33H30O6 522.204238 NA MeJP NA NA +PJ003717 CNMR C18H34N8O6S2 522.2043 NA PeJP NA NA +PJ003718 GSSSW C22H30N6O9 522.2074 NA PeJP NA NA +PJ003719 GGNEF C22H30N6O9 522.2075 NA PeJP NA NA +C08769 Isobrucein A C26H34O11 522.2101 NA KEGG NA NA +C08777 Quassimarin C26H34O11 522.2101 NA KEGG NA NA +MJ076975 11,12-Epoxy-2,8,9,14,16-pentahydroxy-3,5-briaradien-18,7-olide, 2,9,14-Tri-Ac C26H34O11 522.210111 NA MeJP NA NA +MJ076976 15,16-Epoxy-3-hydroxy-19-nor-4,13(16),14-clerodatrien-17,21-olid-18-oic acid, 3-O-?-D-Glucopyranoside, 18-Me ester C26H34O11 522.210111 NA MeJP NA NA +MJ076977 15,16-Epoxy-6-hydroxy-19-nor-4,13(16),14-clerodatrien-17,12-olid-18-oic acid, O-?-D-Glucopyranoside, Me ester C26H34O11 522.210111 NA MeJP NA NA +MJ076978 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 4'-O-?-D-glucopyranoside C26H34O11 522.210111 NA MeJP NA NA +MJ076979 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 9'-O-?-D-glucopyranoside C26H34O11 522.210111 NA MeJP NA NA +MJ076980 3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether, 9'-O-?-D-glucopyranoside C26H34O11 522.210111 NA MeJP NA NA +MJ076981 3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether, 4'-O-?-D-glucopyranoside C26H34O11 522.210111 NA MeJP NA NA +MJ076982 3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether, 9'-O-?-D-glucopyranoside C26H34O11 522.210111 NA MeJP NA NA +MJ076983 3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether, 9-O-?-D-glucopyranoside C26H34O11 522.210111 NA MeJP NA NA +MJ076984 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether, 4'-O-?-D-glucopyranoside C26H34O11 522.210111 NA MeJP NA NA +MJ076985 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether, 4-O-?-D-glucopyranoside C26H34O11 522.210111 NA MeJP NA NA +MJ076986 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether, 9-O-?-D-glucopyranoside C26H34O11 522.210111 NA MeJP NA NA +MJ076987 5,10-Epoxy-3,8,15-trihydroxy-11(13)-germacren-12,6-olide, 8-(2-Acetoxymethyl-2Z-butenoyl), 3,15-di-Ac C26H34O11 522.210111 NA MeJP NA NA +MJ076988 8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-tigloyl, 15-O-?-D-glucopyranoside C26H34O11 522.210111 NA MeJP NA NA +MJ076989 8,17-Epoxy-2,3,9,11,12-pentahydroxy-5,13-briaradien-18,7-olide, 2,3,9-Tri-Ac C26H34O11 522.210111 NA MeJP NA NA +MJ076990 8,17-Epoxy-2,3,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2,3,14-tri-Ac C26H34O11 522.210111 NA MeJP NA NA +MJ076991 8,17-Epoxy-2,4,9,11,12-pentahydroxy-5,13-briaradien-18,7-olide, 2,4,9-Tri-Ac C26H34O11 522.210111 NA MeJP NA NA +MJ076992 8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2,4,14-tri-Ac C26H34O11 522.210111 NA MeJP NA NA +MJ076993 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Hydroxy-2-methyl-3-oxobutanoyl), 9-(3-hydroxy-2-methylbutanoyl), Me ester C26H34O11 522.210111 NA MeJP NA NA +MJ076994 Alysine B C26H34O11 522.210111 NA MeJP NA NA +MJ076995 Bruceanol A; 15-Deacyl, 15-(3-methylbutanoyl) C26H34O11 522.210111 NA MeJP NA NA +MJ076996 Bruceolide; 15-(3-Methylbutanoyl) C26H34O11 522.210111 NA MeJP NA NA +MJ076997 Helmanticin; 2'',3''-Epoxide C26H34O11 522.210111 NA MeJP NA NA +MJ076998 Icariside E5 C26H34O11 522.210111 NA MeJP NA NA +MJ076999 Teulanigerin C26H34O11 522.210111 NA MeJP NA NA +PJ003720 GSTQM C19H34N6O9S 522.2108 NA PeJP NA NA +PJ003721 PEMF C24H34N4O7S 522.2148 NA PeJP NA NA +MJ077000 Temurtide C20H34N4O12 522.217322 NA MeJP NA NA +PJ003722 LEMM C21H38N4O7S2 522.2182 NA PeJP NA NA +PJ003723 TEHH C21H30N8O8 522.2187 NA PeJP NA NA +PJ003724 GSTCR C18H34N8O8S 522.2221 NA PeJP NA NA +PJ003725 GNFW C26H30N6O6 522.2227 NA PeJP NA NA +FL3FRNNF0006 Carpelastofuran;6,7,10,11-Tetrahydro-3,9-dihydroxy-6,11-bis(1-hydroxy-1-methylethyl)-13-(3-methyl-2-butenyl)-8H-furo[3',2':6,7][1]benzopyrano[3,2-d][1]benzoxepin-8-one C30H34O8 522.22536 404889-57-2 knapsack NA NA +MJ077001 Eupodienone 2; 9-Benzoyl C30H34O8 522.225368 NA MeJP NA NA +MJ077002 Gomisin S; 7-Epimer, benzoyl C30H34O8 522.225368 NA MeJP NA NA +MJ077003 Schizandrin; 3'-O-De-Me, 3'-benzoyl C30H34O8 522.225368 NA MeJP NA NA +PJ003726 SCKW C23H34N6O6S 522.2261 NA PeJP NA NA +PJ003727 SSSDK C19H34N6O11 522.2286 NA PeJP NA NA +PJ003728 NKMM C20H38N6O6S2 522.2294 NA PeJP NA NA +PJ003729 AACKM C20H38N6O6S2 522.2295 NA PeJP NA NA +PJ003730 VEEF C24H34N4O9 522.2326 NA PeJP NA NA +MJ077004 N-[(4-Mercapto-2-pyrrolidinyl)methyl]valyl-1,2,3,4-tetrahydro-3-isoquinolinecarbonylmethionine C25H38N4O4S2 522.233447 NA MeJP NA NA +2868 opioid peptide YPFP 522.235 antibacterial Inhouse_peptide NA peptide +3663 NA DLYYLMDL 522.2361 MH2+ Inhouse_peptide NA peptide +MJ077005 Bargustanine C29H34N2O7 522.236601 NA MeJP NA NA +PJ003731 VMHH C22H34N8O5S 522.2373 NA PeJP NA NA +MJ077006 Physalolactone; 4-Deoxy C28H39ClO7 522.238431 NA MeJP NA NA +MJ077007 Withanolide C C28H39ClO7 522.238431 NA MeJP NA NA +PJ003732 SSSSR C18H34N8O10 522.2398 NA PeJP NA NA +MJ077008 Sinensol F C34H34O5 522.240624 NA MeJP NA NA +PJ003733 VNQY C23H34N6O8 522.2438 NA PeJP NA NA +MJ077009 3,7,8,10,11-Pentahydroxy-4-guaien-12,6-olide, 3-Angeloyl, 8-(2-methylbutanoyl), 10-Ac C27H38O10 522.246497 NA MeJP NA NA +MJ077010 4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 3-Propanoyl, 6,19-di-Ac C27H38O10 522.246497 NA MeJP NA NA +MJ077011 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-tigloyl, 4-Ac C27H38O10 522.246497 NA MeJP NA NA +MJ077012 8,17-Epoxy-2,9,12,14-tetrahydroxy-5-briaren-18,7-olide; 12-Propanoyl, 2,14-di-Ac C27H38O10 522.246497 NA MeJP NA NA +C09563 Trilobolide C27H38O10 522.2465 NA KEGG NA NA +PJ003734 GSTKM C20H38N6O8S 522.2472 NA PeJP NA NA +PJ003735 PPFY C28H34N4O6 522.2479 NA PeJP NA NA +PJ003736 PLMY C25H38N4O6S 522.2512 NA PeJP NA NA +PJ003737 GQRY C22H34N8O7 522.2551 NA PeJP NA NA +FL2FALNI0022 Exiguaflavanone D C31H38O7 522.26175 149725-17-7 knapsack NA NA +MJ077013 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl, 10-Ac C31H38O7 522.261753 NA MeJP NA NA +MJ077014 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl, 2-Ac C31H38O7 522.261753 NA MeJP NA NA +MJ077015 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl, 9-Ac C31H38O7 522.261753 NA MeJP NA NA +MJ077016 5,9,12,13-Tetrahydroxy-1,6-tigliadien-3-one, 12-Benzoyl, 13-(2-methylpropanoyl) C31H38O7 522.261753 NA MeJP NA NA +MJ077017 9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12-Benzoyl, 13-(2-methylpropanoyl) C31H38O7 522.261753 NA MeJP NA NA +MJ077018 Exiguaflavanone D C31H38O7 522.261753 NA MeJP NA NA +MJ077019 Lathyrol; 3-Benzoyl, 5,15-di-Ac C31H38O7 522.261753 NA MeJP NA NA +MJ077020 Netzahualcoyol C31H38O7 522.261753 NA MeJP NA NA +MJ077021 Okaramine C; 1',2'-Didehydro C32H34N4O3 522.26309 NA MeJP NA NA +MJ077022 Okaramine J; 1',2'-Didehydro C32H34N4O3 522.26309 NA MeJP NA NA +MJ077023 Okaramine O; 1'-Deoxy C32H34N4O3 522.26309 NA MeJP NA NA +PJ003738 SSTTK C20H38N6O10 522.265 NA PeJP NA NA +PJ003739 PNHR C21H34N10O6 522.2663 NA PeJP NA NA +MJ077024 7-Megastigmene-3,6,9-triol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C24H42O12 522.267626 NA MeJP NA NA +MJ077025 7-Megastigmene-3,6,9-triol, 9-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C24H42O12 522.267626 NA MeJP NA NA +PJ003740 VLEY C25H38N4O8 522.269 NA PeJP NA NA +3039 inhibitor og fibrinogen and thrombin coagulation GPRPP 522.278 celiac toxic Inhouse_peptide NA peptide +PJ003741 VNKY C24H38N6O7 522.2802 NA PeJP NA NA +MJ077026 16-Kaurene-6,15,20-triol, 6-Ketone, 20-O-(2-acetyl-?-D-glucopyranoside) C28H42O9 522.282882 NA MeJP NA NA +MJ077027 19-Hydroxy-8(17),13-labdadien-16,15-olide; ent-form, O-(6-O-Acetyl-?-D-glucopyranoside) C28H42O9 522.282882 NA MeJP NA NA +MJ077028 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-?-D-Ribopyranoside C28H42O9 522.282882 NA MeJP NA NA +MJ077029 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-?-D-Xylopyranoside C28H42O9 522.282882 NA MeJP NA NA +MJ077030 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-?-L-Arabinopyranoside C28H42O9 522.282882 NA MeJP NA NA +MJ077031 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-?-L-Lyxopyranoside C28H42O9 522.282882 NA MeJP NA NA +MJ077032 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-?-D-Xylopyranoside C28H42O9 522.282882 NA MeJP NA NA +MJ077033 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-D-Ribofuranoside C28H42O9 522.282882 NA MeJP NA NA +MJ077034 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-?-L-Lyxopyranoside C28H42O9 522.282882 NA MeJP NA NA +MJ077035 3,8(17)-Dolabelladiene-2,7,16,18-tetrol, 7-Ketone, 16-(3-hydroxy-3-methylglutaryl), 2-Ac C28H42O9 522.282882 NA MeJP NA NA +MJ077036 4,18:11,16:15,16-Triepoxy-3,6,19-clerodanetriol, 3-(2-Methylpropanoyl), 6,19-di-Ac C28H42O9 522.282882 NA MeJP NA NA +MJ077037 4,18:8,13-Diepoxy-6,7,19-trihydroxy-15,16-clerodanolide, 6,7-Bis(2-methylpropanoyl) C28H42O9 522.282882 NA MeJP NA NA +MJ077038 6,12,15,16-Spongianetetrol, Tetra-Ac C28H42O9 522.282882 NA MeJP NA NA +MJ077039 6,13-Epoxy-7-eunicellene-3,4,9,12-tetrol, Tetra-Ac C28H42O9 522.282882 NA MeJP NA NA +MJ077040 6,13-Epoxy-8(19)-eunicellene-3,4,9,12-tetrol, Tetra-Ac C28H42O9 522.282882 NA MeJP NA NA +MJ077041 8,13-Epoxy-14-labdene-1,6,7,11-tetrol, 1,6,7,11-Tetra-Ac C28H42O9 522.282882 NA MeJP NA NA +MJ077042 Physangulide C28H42O9 522.282882 NA MeJP NA NA +MJ077043 Sengosterone; 29-Nor C28H42O9 522.282882 NA MeJP NA NA +MJ077044 Soraphen A; 12,13-Dihydro, 13,14-didehydro, 12?-hydroxy, 10-O-de-Me C28H42O9 522.282882 NA MeJP NA NA +MJ077045 Soraphen A; 12,13-Dihydro, 7,8-didehydro, 13?-hydroxy, 11-O-de-Me C28H42O9 522.282882 NA MeJP NA NA +MJ077046 Soraphen A; 12?,13?-Epoxide, 11-O-de-Me C28H42O9 522.282882 NA MeJP NA NA +MJ077047 Soraphen A; 20-Hydroxy,11-O-de-Me C28H42O9 522.282882 NA MeJP NA NA +MJ077048 Soraphen A; 8?-Hydroxy, 10-O-de-Me C28H42O9 522.282882 NA MeJP NA NA +MJ077049 Soraphen A; 8?-Hydroxy,11-O-de-Me C28H42O9 522.282882 NA MeJP NA NA +PJ003742 PLFF C29H38N4O5 522.2842 NA PeJP NA NA +MJ077050 Aphelandrine, 17,18-Diepimer, 26-methoxy C29H38N4O5 522.28422 NA MeJP NA NA +MJ077051 Aphelandrine, 17,18-Diepimer, deoxy, 30-methoxy C29H38N4O5 522.28422 NA MeJP NA NA +MJ077052 Nummularine E C29H38N4O5 522.28422 NA MeJP NA NA +PJ003743 LLMF C26H42N4O5S 522.2876 NA PeJP NA NA +2673 synthetic fr, of human beta-CN (121-129) ACE inhibitor LENLHLPLP 522.29145 MH2+ Inhouse_peptide NA peptide +PJ003744 GKRY C23H38N8O6 522.2915 NA PeJP NA NA +MJ077053 Azadironol C32H42O6 522.298139 NA MeJP NA NA +MJ077054 Ingenol; 3-(2,4,6,8-Dodecatetraenoyl) C32H42O6 522.298139 NA MeJP NA NA +MJ077055 Amauromine; 2,3-Diepimer, N1'-Me C33H38N4O2 522.299476 NA MeJP NA NA +MJ077056 5''-Amino-3',4,5''-trideoxybutirosin A C21H42N6O9 522.301326 NA MeJP NA NA +MJ077057 12-Chloro-2,3,13,24-tetrahydroxy-28-oleananoic acid, 28?13 Lactone C30H47ClO5 522.311202 NA MeJP NA NA +PJ003745 TKKF C25H42N6O6 522.3166 NA PeJP NA NA +MJ077058 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 2-Ac C29H46O8 522.319268 NA MeJP NA NA +MJ077059 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 25-Ac C29H46O8 522.319268 NA MeJP NA NA +MJ077060 Pregn-6-ene-3,17,20-triol, 3-O-(3-O-Acetyl-?-D-fucopyranoside) C29H46O8 522.319268 NA MeJP NA NA +MJ077061 Siphonarin B; 3S-Alcohol C29H46O8 522.319268 NA MeJP NA NA +MJ077062 Soraphen A; 12,13-Dihydro C29H46O8 522.319268 NA MeJP NA NA +MJ077063 Protoverbine; 4'-Methoxy, N9-(4-methoxy-Z-cinnamoyl) C30H42N4O4 522.320605 NA MeJP NA NA +MJ077064 Protoverbine; N9-(3,4-Dimethoxy-E-cinnamoyl) C30H42N4O4 522.320605 NA MeJP NA NA +MJ077065 Protoverbine; N9-(3,4-Dimethoxy-Z-cinnamoyl) C30H42N4O4 522.320605 NA MeJP NA NA +MJ077066 Bengazole Z; O2-(13-Methyltetradecanoyl) C28H46N2O7 522.330501 NA MeJP NA NA +MJ077067 Bengazole Z; O2-Pentadecanoyl C28H46N2O7 522.330501 NA MeJP NA NA +MJ077068 Bengazole Z; O3-(13-Methyltetradecanoyl) C28H46N2O7 522.330501 NA MeJP NA NA +MJ077069 Bengazole Z; O4-(13-Methyltetradecanoyl) C28H46N2O7 522.330501 NA MeJP NA NA +MJ077070 Bengazole Z; O6-Pentadecanoyl C28H46N2O7 522.330501 NA MeJP NA NA +MJ077071 Lacrimin C C33H46O5 522.334524 NA MeJP NA NA +MJ077072 Morinin A; 5'-(9,12,15-Octadecatrienoyloxy)(Z,Z,Z-) C33H46O5 522.334524 NA MeJP NA NA +MJ077073 Cycloart-24-ene-3,23-diol, 3-O-Sulfate C30H50O5S 522.337895 NA MeJP NA NA +HMDB02815 Oleoyl lysophosphatidylcholine C26H53NO7P 522.35596 http://www.hmdb.ca/metabolites/HMDB02815 HMDB NA NA +HMDB02815 Oleoyl lysophosphatidylcholine C26H53NO7P 522.35596 HMDB02815 PFEM_hmdb_metabocards_official NA NA +C03916 1-Oleoylglycerophosphocholine C26H53NO7P 522.356 NA KEGG NA NA +MJ077074 Coenzyme Q; Coenzyme Q5 C34H50O4 522.37091 NA MeJP NA NA +MJ077075 Milbemycin ?3; 26-O-(3-Methylbutanoyloxy) C27H54O9 522.376783 NA MeJP NA NA +MJ077076 3,20-Diaminopregnan-12-ol, N3,N20,N20-Tri-Me, N3-benzoyl, 12-Ac C33H50N2O3 522.382143 NA MeJP NA NA +MJ077077 3,20-Diaminopregnan-4-ol, N3,N20,N20-Tri-Me, N3-benzoyl, O-Ac C33H50N2O3 522.382143 NA MeJP NA NA +MJ077078 Cyclomicrophylline I; 6,7-Dihydro, N20,N20-di-Me, N3-benzoyl C33H50N2O3 522.382143 NA MeJP NA NA +MJ077079 Panaxydol; 9,12-Octadecadienoyl(Z,Z-) C35H54O3 522.407295 NA MeJP NA NA +MJ077080 Hoprominol C30H58N4O3 522.450891 NA MeJP NA NA +MJ077081 Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 1'-O-Tetradecanoyl C33H62O4 522.46481 NA MeJP NA NA +MJ077082 Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 3-O-Tetradecanoyl C33H62O4 522.46481 NA MeJP NA NA +MJ077083 Tetrahydro-6-(2-hydroxy-16,19-dimethylhexacosyl)-4-methyl-2H-pyran-2-one C34H66O3 522.501195 NA MeJP NA NA +MJ077084 Hexacosanoic acid; Nonyl ester C35H70O2 522.537581 NA MeJP NA NA +MJ077085 Triacontanoic acid; Pentyl ester C35H70O2 522.537581 NA MeJP NA NA +MJ077086 1-Hexatriacontanol C36H74O 522.573966 NA MeJP NA NA +3463 angiotensin II DRVYIHPF 522.76045 MH2+ Inhouse_peptide NA peptide +8125 secretory peptide hormone - angiotensin II DRVYIHPF 522.76045 MH2+ Inhouse_peptide NA peptide +HMDB01035 Angiotensin II C50H71N13O12 522.767273 MH2+ Inhouse_peptide NA peptide +MJ077087 7,9-Dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4,5]deca-2,6,8-triene-3-carboxylic acid, Amide, N-[4-(methoxycarbonylamino)-2-oxobutyl] C16H19Br2N3O7 522.958975 NA MeJP NA NA +MJ077088 7,9-Dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4,5]deca-2,6,8-triene-3-carboxylic acid, Amide, N-[4-(methoxycarbonylamino)-3-oxobutyl] C16H19Br2N3O7 522.958975 NA MeJP NA NA +C13742 Adenosine 5-O-(3-thiotriphophate) C10H16N5O12P3S 522.9729 NA KEGG NA NA +MJ077089 Guanosine 5'-triphosphate C10H16N5O14P3 522.990659 NA MeJP NA NA +MJ077090 GTP C10H16N5O14P3 522.990659 NA MeJP NA NA +HMDB01273 Guanosine triphosphate C10H16N5O14P3 522.99066 http://www.hmdb.ca/metabolites/HMDB01273 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01273 Guanosine triphosphate C10H16N5O14P3 522.99066 http://www.hmdb.ca/metabolites/HMDB01273 HMDB NA NA +MetaCyc03771 GTP [guanylyl imidodiphosphate;guanosine 5'-triphosphate;guanosine-triphosphate;] C10H16N5O14P3 522.99066 86-01-1 metacyc NA NA +MetaCyc03772 8-hydroxydeoxyguanosine 5'-triphosphate [] C10H16N5O14P3 522.99066 NA metacyc NA NA +HMDB01273 Guanosine triphosphate C10H16N5O14P3 522.99066 http://www.hmdb.ca/metabolites/HMDB01273 PFEM_hmdb_metabocards_blood NA blood +HMDB01273 Guanosine triphosphate C10H16N5O14P3 522.99066 HMDB01273 PFEM_hmdb_metabocards_official NA NA +HMDB01273 Guanosine triphosphate C10H16N5O14P3 522.990662 NA HMDB2010 NA NA +HMDB11615 8-Oxo-dGTP C10H16N5O14P3 522.990662 NA HMDB2010 NA NA +C00044 GTP C10H16N5O14P3 522.9907 NA KEGG NA NA +C00045 Amino acid C2H4NO2R 522.9907 NA KEGG NA NA +C00046 RNA C10H18O13P2R2 522.9907 NA KEGG NA NA +C06149 6-(3'-Triphosphoryl-1'-methylglyceryl)-7-methyl-7,8-dihydrobiopterin C11H20N5O13P3 523.027 NA KEGG NA NA +C06150 D-Inositol C11H20N5O13P3 523.027 NA KEGG NA NA +C06151 L-Inositol C11H20N5O13P3 523.027 NA KEGG NA NA +MJ077091 6-(3'-Triphosphoryl-1'-methylglyceryl)-7-methyl-7,8-dihydrobiopterin C11H20N5O13P3 523.027045 NA MeJP NA NA +MJ077092 Ceftiofur C19H17N5O7S3 523.029009 NA MeJP NA NA +MJ077093 Antibiotic SF 2446A1; Aglycone C26H21NO11 523.11146 NA MeJP NA NA +MJ077094 Chloramphenicol, Compd. with calcium pantothenate (4:1) C20H27Cl2N3O9 523.112434 NA MeJP NA NA +MJ077095 6-Hydroxyhexyl glucosinolate; O6-Benzoyl C20H29NO11S2 523.118202 NA MeJP NA NA +MJ077096 9-(Methylthio)nonyl glucosinolate; S,S-Dioxide C17H33NO11S3 523.121572 NA MeJP NA NA +PJ003746 GCDDD C17H25N5O12S 523.1221 NA PeJP NA NA +MJ077097 Idoxifene C28H30INO 523.137208 NA MeJP NA NA +MJ077098 4,5,6,7-Tetrahydroxydecyl glucosinolate C17H33NO13S2 523.139331 NA MeJP NA NA +PJ003747 SPCCD C18H29N5O9S2 523.1407 NA PeJP NA NA +PJ003748 GCCNQ C17H29N7O8S2 523.1519 NA PeJP NA NA +PJ003749 GSDDM C18H29N5O11S 523.1585 NA PeJP NA NA +MJ077099 Tunichrome An1; 1'Z-Isomer, 3'',3'''-dideoxy C26H25N3O9 523.159079 NA MeJP NA NA +MJ077100 Tunichrome An1; 3'',3'''-Dideoxy C26H25N3O9 523.159079 NA MeJP NA NA +PJ003750 APCCM C19H33N5O6S3 523.1593 NA PeJP NA NA +PJ003751 SSCNN C17H29N7O10S 523.1697 NA PeJP NA NA +MJ077101 Penfluridol C28H27ClF5NO 523.170133 NA MeJP NA NA +PJ003752 SCEW C22H29N5O8S 523.1737 NA PeJP NA NA +PJ003753 SSSDE C18H29N5O13 523.1762 NA PeJP NA NA +PJ003754 NEMM C19H33N5O8S2 523.1771 NA PeJP NA NA +PJ003755 CDMR C18H33N7O7S2 523.1883 NA PeJP NA NA +PJ003756 NDEF C22H29N5O10 523.1915 NA PeJP NA NA +PJ003757 GMMW C23H33N5O5S2 523.1923 NA PeJP NA NA +PJ003758 GSTEM C19H33N5O10S 523.1948 NA PeJP NA NA +PJ003759 CQHH C20H29N9O6S 523.1962 NA PeJP NA NA +PJ003760 NNNY C21H29N7O9 523.2027 NA PeJP NA NA +MJ077102 Cripowellin B C25H33NO11 523.20536 NA MeJP NA NA +MJ077103 Ipecosidic acid; 1-Epimer, 6-Me ether, N-de-Ac C25H33NO11 523.20536 NA MeJP NA NA +MJ077104 Ipecosidic acid; 1-Epimer, 7-Me ether, N-de-Ac C25H33NO11 523.20536 NA MeJP NA NA +MJ077105 Ipecosidic acid; 1-Epimer, N-de-Ac, Me ester C25H33NO11 523.20536 NA MeJP NA NA +MJ077106 Ipecosidic acid; 6-Me ether, N-de-Ac C25H33NO11 523.20536 NA MeJP NA NA +MJ077107 Ipecosidic acid; N-De-Ac, Me ester C25H33NO11 523.20536 NA MeJP NA NA +MetaCyc03773 deacetylisoipecoside [] C25H33N1O11 523.205361 NA metacyc NA NA +MetaCyc03774 deacetylipecoside [] C25H33N1O11 523.205361 NA metacyc NA NA +C07304 Deacetylisoipecoside C25H33NO11 523.2054 NA KEGG NA NA +C07305 Products of ATP breakdown C25H33NO11 523.2054 NA KEGG NA NA +C07307 Deacetylipecoside C25H33NO11 523.2054 NA KEGG NA NA +PJ003761 GDFW C26H29N5O7 523.2067 NA PeJP NA NA +PJ003762 STMW C23H33N5O7S 523.2101 NA PeJP NA NA +PJ003763 SSTTE C19H33N5O12 523.2126 NA PeJP NA NA +PJ003764 DKMM C20H37N5O7S2 523.2135 NA PeJP NA NA +PJ003765 GSSHH C20H29N9O8 523.2139 NA PeJP NA NA +PJ003766 APPCH C22H33N7O6S 523.2213 NA PeJP NA NA +PJ003767 SMMR C19H37N7O6S2 523.2247 NA PeJP NA NA +PJ003768 VNEY C23H33N5O9 523.2278 NA PeJP NA NA +PJ003769 GGVEY C23H33N5O9 523.2279 NA PeJP NA NA +PJ003770 SSSLM C20H37N5O9S 523.2312 NA PeJP NA NA +MJ077108 Ostreogrycin A; 13-Deoxy, 13,14-epoxy C28H33N3O7 523.23185 NA MeJP NA NA +PJ003771 CKHH C21H33N9O5S 523.2326 NA PeJP NA NA +PJ003772 GERY C22H33N7O8 523.2391 NA PeJP NA NA +MJ077109 Ryanodine; 10-Epimer, 8?-hydroxy, O4-Me C26H37NO10 523.241746 NA MeJP NA NA +8082 synthetic peptide RWY 523.243 inhibitor Inhouse_peptide NA peptide +PJ003773 GVYW C27H33N5O6 523.2431 NA PeJP NA NA +PJ003774 VQMF C24H37N5O6S 523.2465 NA PeJP NA NA +PJ003775 TTTTT C20H37N5O11 523.249 NA PeJP NA NA +PJ003776 PDHR C21H33N9O7 523.2503 NA PeJP NA NA +PJ003777 RYW C26H33N7O5 523.2543 NA PeJP NA NA +MJ077110 5,9,12,13,20-Pentahydroxy-1,6-tigladien-3-one, 20-Deoxy, 12-O-(2-methylaminobenzoyl), 13-Ac C30H37NO7 523.257002 NA MeJP NA NA +MJ077111 5,9,12,13,20-Pentahydroxy-1,6-tigladien-3-one, 20-Deoxy, 12-O-(2-Methylaminobenzoyl), 13-Ac C30H37NO7 523.257002 NA MeJP NA NA +MJ077112 9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12-(2-Methylaminobenzoyl), 13-Ac C30H37NO7 523.257002 NA MeJP NA NA +MJ077113 Cytochalasin C; 19,20-Epoxide C30H37NO7 523.257002 NA MeJP NA NA +MJ077114 Cytochalasin C; 19?,20?-Epoxide C30H37NO7 523.257002 NA MeJP NA NA +MJ077115 Cytochalasin C; 5?,6?-Epoxide C30H37NO7 523.257002 NA MeJP NA NA +MJ077116 Cytochalasin Q; 13?,14?-Epoxide C30H37NO7 523.257002 NA MeJP NA NA +MJ077117 Cytochalasin Q; 18-Deoxy, 13?,14?;19?,20?-diepoxide C30H37NO7 523.257002 NA MeJP NA NA +MJ077118 Cytochalasin Q; 19?,20?-Epoxide C30H37NO7 523.257002 NA MeJP NA NA +MJ077119 Himandridine C30H37NO7 523.257002 NA MeJP NA NA +MJ077120 Lathyrol; (3-Pyridinecarbonyl), di-Ac C30H37NO7 523.257002 NA MeJP NA NA +MJ077121 Trideacetylpyripyropene A; 7,11-Dideoxy, 19-propanoyl, 3-Ac C30H37NO7 523.257002 NA MeJP NA NA +MJ077122 Trideacetylpyripyropene A; 7,11-Dideoxy, 3-propanoyl, 19-Ac C30H37NO7 523.257002 NA MeJP NA NA +MJ077123 Zygosporin D; 19?,20?-Epoxide, 21-Ac C30H37NO7 523.257002 NA MeJP NA NA +PJ003778 AMFR C23H37N7O5S 523.2577 NA PeJP NA NA +PJ003779 VDKY C24H37N5O8 523.2642 NA PeJP NA NA +EUR880 Lyso PE 20:4 [M+Na]+ C25H44NO7P 523.267488 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR880 Lyso PE 20:4 [M+Na]+ C25H44NO7P 523.267488 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR880 Lyso PE 20:4 [M+Na]+ C25H44NO7P 523.267488 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR880 Lyso PE 20:4 [M+Na]+ C25H44NO7P 523.267488 masses lipides attendues Inhousejuil11 NA NA +C11309 Calcimycin C29H37N3O6 523.2682 NA KEGG NA NA +MJ077124 Calcimycin C29H37N3O6 523.268235 NA MeJP NA NA +MJ077125 Yakusimycin A C29H37N3O6 523.268235 NA MeJP NA NA +PJ003780 SVRY C23H37N7O7 523.2755 NA PeJP NA NA +MJ077126 Antibiotic FR 901465 C27H41NO9 523.278131 NA MeJP NA NA +MJ077127 Talitine C C27H41NO9 523.278131 NA MeJP NA NA +PJ003781 VKMF C25H41N5O5S 523.2829 NA PeJP NA NA +MJ077128 Butirosin A; 3',4'-Dideoxy C21H41N5O10 523.285342 NA MeJP NA NA +EUR847 Lyso PE 18:2 [M+FA-H]- C23H44NO7P 523.290422 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR847 Lyso PE 18:2 [M+FA-H]- C23H44NO7P 523.290422 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR847 Lyso PE 18:2 [M+FA-H]- C23H44NO7P 523.290422 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR847 Lyso PE 18:2 [M+FA-H]- C23H44NO7P 523.290422 masses lipides attendues Inhousejuil11 NA NA +MJ077129 Aconosine; 14-Benzoyl, 8-Ac C31H41NO6 523.293388 NA MeJP NA NA +MJ077130 Franchetine C31H41NO6 523.293388 NA MeJP NA NA +MJ077131 Zygosporin D; 4'-Methoxy, 17-deoxo, 21-Ac C31H41NO6 523.293388 NA MeJP NA NA +MJ077132 Broussonetinine A; 4-Epimer, 1'R-hydroxy, 10'-deoxo, 9'-oxo, 13'-O-?-D-glucopyranoside C24H45NO11 523.299261 NA MeJP NA NA +MJ077133 Broussonetinine A; 4-Epimer, 1'R-hydroxy, 13'-O-?-D-glucopyranoside C24H45NO11 523.299261 NA MeJP NA NA +PJ003782 TLKY C25H41N5O7 523.3006 NA PeJP NA NA +MJ077134 Alangamide C30H41N3O5 523.304621 NA MeJP NA NA +PJ003783 AALLH C24H41N7O6 523.3119 NA PeJP NA NA +MJ077135 Deltatsine; O1-Me, 14-Ac C28H45NO8 523.314517 NA MeJP NA NA +MJ077136 Deltatsine; O7-Me, 14-Ac C28H45NO8 523.314517 NA MeJP NA NA +PJ003784 VLHR C23H41N9O5 523.3231 NA PeJP NA NA +PJ003785 PPVVL C26H45N5O6 523.337 NA PeJP NA NA +HMDB10384 LysoPC(18:0) C26H54NO7P 523.36377 NA HMDB2010 NA NA +HMDB11128 LysoPC(0:0/18:0) C26H54NO7P 523.36377 NA HMDB2010 NA NA +MJ077137 1-O-Hexadecylglycero-3-phosphocholine, 2-Ac C26H54NO7P 523.363789 NA MeJP NA NA +EUR669 Lyso PC 18:0 monoisotopic mass C26H54NO7P 523.363792 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR891 Lyso PE 22:0 [M-H-CH3]- C27H56NO7P 523.363792 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR669 Lyso PC 18:0 monoisotopic mass C26H54NO7P 523.363792 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR891 Lyso PE 22:0 [M-H-CH3]- C27H56NO7P 523.363792 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR669 Lyso PC 18:0 monoisotopic mass C26H54NO7P 523.363792 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR891 Lyso PE 22:0 [M-H-CH3]- C27H56NO7P 523.363792 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR669 Lyso PC 18:0 monoisotopic mass C26H54NO7P 523.363792 masses lipides attendues Inhousejuil11 NA NA +EUR891 Lyso PE 22:0 [M-H-CH3]- C27H56NO7P 523.363792 masses lipides attendues Inhousejuil11 NA NA +EUR597 LysoPC(18:0) NA 523.364175 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR597 LysoPC(18:0) [M+H]+ 523.364175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR597 LysoPC(18:0) NA 523.364175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR597 LysoPC(18:0) [M+H]+ 523.364175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR597 LysoPC(18:0) NA 523.364175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR597 LysoPC(18:0) [M+H]+ 523.364175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR597 LysoPC(18:0) NA 523.364175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR597 LysoPC(18:0) NA 523.364175 identifiés dans sérum NuGO HMDB NA NA +EUR597 LysoPC(18:0) NA 523.364175 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR597 LysoPC(18:0) [M+H]+ 523.364175 identifies dans serum NuGO Inhousejuil11 NA NA +EUR597 LysoPC(18:0) NA 523.364175 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR597 LysoPC(18:0) NA 523.364175 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +MJ077138 Niphatoxin B C36H50N3(+) 523.392648 NA MeJP NA NA +MJ077139 Edelfosine C27H58NO6P 523.400175 NA MeJP NA NA +MJ077140 Rhodopeptin; Rhodopeptin B5 C28H53N5O4 523.409755 NA MeJP NA NA +MJ077141 2-Amino-4-octadecene-1,3-diol, N-Pentadecanoyl C33H65NO3 523.496444 NA MeJP NA NA +MJ077142 2-Amino-9-octadecene-1,3-diol; N-Pentadecanoyl C33H65NO3 523.496444 NA MeJP NA NA +7401 celiac sprue gluten epitope found in secalin PQPQQQLPL 523.778 MH2+ Inhouse_peptide NA peptide +2585 tenecin-1 (33-43) YCNGKRVCVCRG 523.7899 MH2+ Inhouse_peptide NA peptide +7687 ACE inhibitor from ovalbumin ERKIKVYL 523.815 MH2+ Inhouse_peptide NA peptide +MJ077143 Molybdenum cofactor C10H13MoN5O8PS2 523.899723 NA MeJP NA NA +C16617 6-Mercaptopurine ribonucleoside triphosphate C10H15N4O13P3S 523.9569 NA KEGG NA NA +MJ077144 Securamine A; 16-Bromo C20H19Br2ClN4O 523.961414 NA MeJP NA NA +HMDB00293 Xanthosine 5-triphosphate C10H15N4O15P3 523.97467 http://www.hmdb.ca/metabolites/HMDB00293 HMDB NA NA +HMDB00293 Xanthosine 5-triphosphate C10H15N4O15P3 523.97467 HMDB00293 PFEM_hmdb_metabocards_official NA NA +HMDB00293 Xanthosine 5-triphosphate C10H15N4O15P3 523.97467 NA HMDB2010 NA NA +MJ077145 XTP C10H15N4O15P3 523.974675 NA MeJP NA NA +MetaCyc03775 XTP [] C10H15N4O15P3 523.974675 NA metacyc NA NA +C00700 XTP C10H15N4O15P3 523.9747 NA KEGG NA NA +C00701 Base C10H15N4O15P3 523.9747 NA KEGG NA NA +MJ077146 Isoplagiochin C; 6',8',10'-Trichloro C28H19Cl3O4 524.034892 NA MeJP NA NA +MJ077147 Isoplagiochin C; 6',8',12-Trichloro C28H19Cl3O4 524.034892 NA MeJP NA NA +MJ077148 Bidimazium(1+); Iodide C26H25IN2S 524.078312 NA MeJP NA NA +MJ077149 Falconensin A; 8-Ac C25H26Cl2O8 524.100473 NA MeJP NA NA +MJ077150 Leptosin E C25H24N4O3S3 524.101052 NA MeJP NA NA +MJ077151 1,4',5',8,9'-Pentahydroxy-2',6-dimethyl[2,9'-bianthracene]-9,10'(9'H,10H)-dione; 10-Oxo, 11-hydroxy C30H20O9 524.110732 NA MeJP NA NA +MJ077152 1,4',5',8,9'-Pentahydroxy-2',6-dimethyl[2,9'-bianthracene]-9,10'(9'H,10H)-dione; 10-Oxo, 5-hydroxy C30H20O9 524.110732 NA MeJP NA NA +MJ077153 Calodenin B C30H20O9 524.110732 NA MeJP NA NA +MJ077154 Rheidin A C30H20O9 524.110732 NA MeJP NA NA +MJ077155 Sennidin, 1''-Alcohol C30H20O9 524.110732 NA MeJP NA NA +MJ077156 Urundeuvina A; 1,2-Didehydro C30H20O9 524.110732 NA MeJP NA NA +FL5FELGS0004 5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-3,6-dimethoxy-2-(2,3,4-trihydroxyphenyl)-4H-1-benzopyran-4-one C23H24O14 524.1166 349152-35-8 knapsack NA NA +MJ077157 3,3',4',5,5',6,7-Heptahydroxyflavone; 6,7-Di-Me ether, 3-O-?-D-galactopyranoside C23H24O14 524.116605 NA MeJP NA NA +MJ077158 8-Methoxychlorotetracycline; 4a?-Hydroxy, 6-epimer C23H25ClN2O10 524.119772 NA MeJP NA NA +MJ077159 3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4':4,5-Bis(methylene) ether, 7-O-(3,4-di-O-methyl-?-D-xylopyranoside) C27H24O11 524.131861 NA MeJP NA NA +MJ077160 Anthoceratonic acid C27H24O11 524.131861 NA MeJP NA NA +MJ077161 Mayoside C27H24O11 524.131861 NA MeJP NA NA +PJ003786 GCCNE C17H28N6O9S2 524.1359 NA PeJP NA NA +PJ003787 GGGCCE C17H28N6O9S2 524.136 NA PeJP NA NA +MJ077162 2-(Nitrooxy)propyl 3-(nitrooxy)propyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate C21H24N4O12 524.139072 NA MeJP NA NA +MJ077163 Kinamycin F; 3-O-(2-Methylpropanoyl), 2,4-di-Ac C26H24N2O10 524.143094 NA MeJP NA NA +MJ077164 Kinamycin F; 4-O-(2-Methylpropanoyl), 1,2-di-Ac C26H24N2O10 524.143094 NA MeJP NA NA +MJ077165 1,4',5',8,9'-Pentahydroxy-2',6-dimethyl[2,9'-bianthracene]-9,10'(9'H,10H)-dione; 3-Methoxy C31H24O8 524.147117 NA MeJP NA NA +MJ077166 Lophirone A; 4''-Me ether C31H24O8 524.147117 NA MeJP NA NA +PJ003788 CCNW C21H28N6O6S2 524.1512 NA PeJP NA NA +MJ077167 3,3',4',5,7,8-Hexahydroxyflavan, 5-Me ether, 3-Ac, 8-O-?-D-glucopyranoside C24H28O13 524.15299 NA MeJP NA NA +MJ077168 Arbutin; 2-O-[(4-Hydroxybenzoyl)-(?5)-?-D-apiofuranosyl] C24H28O13 524.15299 NA MeJP NA NA +MJ077169 Catalpol; 10-O-(3,4-Dihydroxy-E-cinnamoyl) C24H28O13 524.15299 NA MeJP NA NA +MJ077170 Catalpol; 6-O-(3,4-Dihydroxycinnamoyl) C24H28O13 524.15299 NA MeJP NA NA +FL63FCGS0001 Barbatoflavan;(2R,3R)-3-(Acetyloxy)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-5-methoxy-2H-1-benzopyran-8-yl beta-D-Glucopyranoside C24H28O13 524.15299 342643-67-8 knapsack NA NA +PJ003789 SSCND C17H28N6O11S 524.1537 NA PeJP NA NA +PJ003790 DEMM C19H32N4O9S2 524.1611 NA PeJP NA NA +MJ077171 2,5-Dihydroxybenzyl 2-(benzoylmethyl)benzoate; 2'-O-?-D-Glucopyranoside C28H28O10 524.168247 NA MeJP NA NA +MJ077172 Aloesin; 2'-O-Cinnamoyl C28H28O10 524.168247 NA MeJP NA NA +MJ077173 Colletotric acid C28H28O10 524.168247 NA MeJP NA NA +MJ077174 Gyrophoric acid; 2',2'',4-Tri-Me ether, Me ester C28H28O10 524.168247 NA MeJP NA NA +PJ003791 GSCQM C18H32N6O8S2 524.1723 NA PeJP NA NA +MJ077175 Unonopsine C34H24N2O4 524.173607 NA MeJP NA NA +MJ077176 3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside, tetra-Ac C21H32O15 524.17412 NA MeJP NA NA +MJ077177 Antirrhinoside; 5-O-Allopyranoside C21H32O15 524.17412 NA MeJP NA NA +MJ077178 Catalpol; 6'-?-D-Galactopyranosyl C21H32O15 524.17412 NA MeJP NA NA +MJ077179 Catalpol; 6-O-?-D-Galactopyranoside C21H32O15 524.17412 NA MeJP NA NA +MJ077180 Decaloside; 7?,8?-Epoxide, 11-O-?-D-alloside C21H32O15 524.17412 NA MeJP NA NA +MJ077181 Decaloside; 7?,8?-Epoxide, 11-O-?-D-glucopyranoside C21H32O15 524.17412 NA MeJP NA NA +MJ077182 Monomelittoside; 5-O-?-D-Glucopyranoside C21H32O15 524.17412 NA MeJP NA NA +PJ003792 DDEF C22H28N4O11 524.1755 NA PeJP NA NA +MJ077183 15-Bromo-9(11)-parguerene-2,7,16-triol, Tri-Ac C26H37BrO6 524.177351 NA MeJP NA NA +PJ003793 CEHH C20H28N8O7S 524.1802 NA PeJP NA NA +MJ077184 6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 2,9,12-Tri-Ac C26H33ClO9 524.18131 NA MeJP NA NA +MJ077185 6-Chloro-2,8,9,14-tetrahydroxy-3,5(16),11(20)-briaratrien-18,7-olide, 2,9,14-Tri-Ac C26H33ClO9 524.18131 NA MeJP NA NA +MJ077186 Daljanelin D C32H28O7 524.183503 NA MeJP NA NA +MJ077187 Xanthorrhone C32H28O7 524.183503 NA MeJP NA NA +PJ003794 GSCCR C17H32N8O7S2 524.1836 NA PeJP NA NA +MJ077188 Nikkomycin ZH C21H28N6O10 524.186691 NA MeJP NA NA +PJ003795 NNDY C21H28N6O10 524.1867 NA PeJP NA NA +MJ077189 N-[[4'-[(2-Ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl][1,1'-biphenyl]-2-yl]sulfonyl]benzamide C30H28N4O3S 524.188211 NA MeJP NA NA +MJ077190 1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 2'-O-De-Me, 9'-O-?-D-glucopyranoside C25H32O12 524.189376 NA MeJP NA NA +MJ077191 1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 7-Epimer, 2'-O-de-Me, 9'-O-?-D-glucopyranoside C25H32O12 524.189376 NA MeJP NA NA +MJ077192 2,3-Epoxy-8,9-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 11?,13-Dihydro, 8-(3S-acetoxy-2R-hydroxy-2-methylbutanoyl), 9-Ac, Me ester C25H32O12 524.189376 NA MeJP NA NA +MJ077193 2-Acetyl-3-methyl-1,8-naphthalenediol; 8-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C25H32O12 524.189376 NA MeJP NA NA +MJ077194 8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl), 9-Ac, Me ester C25H32O12 524.189376 NA MeJP NA NA +MJ077195 Ajugol; 6-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) C25H32O12 524.189376 NA MeJP NA NA +MJ077196 Ajugol; 6-O-(4-Hydroxy-3-methoxy-Z-cinnamoyl) C25H32O12 524.189376 NA MeJP NA NA +MJ077197 Arcusangeloside C25H32O12 524.189376 NA MeJP NA NA +MJ077198 Excelsioside C25H32O12 524.189376 NA MeJP NA NA +MJ077199 Gibberellin A49; 12-Ketone, 3-O-?-D-glucopyranoside C25H32O12 524.189376 NA MeJP NA NA +MJ077200 Iridolinarin C C25H32O12 524.189376 NA MeJP NA NA +MJ077201 Isoligustrosidic acid; Me ester C25H32O12 524.189376 NA MeJP NA NA +MJ077202 Oleuropein; 3''-Deoxy C25H32O12 524.189376 NA MeJP NA NA +PJ003796 SSSNM C18H32N6O10S 524.1901 NA PeJP NA NA +PJ003797 PDMY C23H32N4O8S 524.1941 NA PeJP NA NA +MJ077203 Aglaiastatin; 5a''',N6'''-Didehydro C31H28N2O6 524.194736 NA MeJP NA NA +MJ077204 8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8-(3,4-Dimethoxybenzoyl), 11-(3-methyl-2-butenoyl) C29H32O9 524.204632 NA MeJP NA NA +MJ077205 9,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide; 8-(3,4-Dimethoxybenzoyl),11-angeloyl C29H32O9 524.204632 NA MeJP NA NA +PJ003798 NNMF C22H32N6O7S 524.2053 NA PeJP NA NA +PJ003799 GGGGMF C22H32N6O7S 524.2054 NA PeJP NA NA +PJ003800 GSSSST C18H32N6O12 524.2078 NA PeJP NA NA +MJ077206 Bufotalin; 3-Sulphate C26H36O9S 524.208003 NA MeJP NA NA +PJ003801 GSCKM C19H36N6O7S2 524.2087 NA PeJP NA NA +PJ003802 VDEY C23H32N4O10 524.2119 NA PeJP NA NA +PJ003803 PMMF C24H36N4O5S2 524.2127 NA PeJP NA NA +PJ003804 LMMM C21H40N4O5S3 524.2161 NA PeJP NA NA +PJ003805 TMHH C21H32N8O6S 524.2166 NA PeJP NA NA +7815 ACE inhibitor from chickpea legumin MFDL 524.2193 antibacterial Inhouse_peptide NA peptide +PJ003806 SQQY C22H32N6O9 524.2231 NA PeJP NA NA +MJ077207 12,17-Epoxy-2,5,7,9,10,11-hexahydroxy-4(20)-taxen-13-one; 7,9,10-Tri-Ac C26H36O11 524.225761 NA MeJP NA NA +MJ077208 2,4,8,9,14-Pentahydroxy-5,11(20)-briaradien-18,7-olide; 11?,20-Epoxide, 2,9,14-tri-Ac C26H36O11 524.225761 NA MeJP NA NA +MJ077209 2,8,9,11,14-Pentahydroxy-12-oxo-5-briaren-18,7-olide, 2,9,14-Tri-Ac C26H36O11 524.225761 NA MeJP NA NA +MJ077210 2,8,9,14,16-Pentahydroxy-5,11-briaradien-18,7-olide, 11?,12?-Epoxide, 2,14,16-tri-Ac C26H36O11 524.225761 NA MeJP NA NA +MJ077211 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9'-O-?-L-rhamnopyranoside C26H36O11 524.225761 NA MeJP NA NA +MJ077212 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Hydroxy-3-methylbutanoyl), 3-O-?-D-glucopyranoside C26H36O11 524.225761 NA MeJP NA NA +MJ077213 4,4',9'-Trihydroxy-3,5'-dimethoxy-8,3'-neolignan, 4'-O-?-D-Glucopyranoside C26H36O11 524.225761 NA MeJP NA NA +MJ077214 8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 3,9,14-Tri-Ac C26H36O11 524.225761 NA MeJP NA NA +MJ077215 8,17-Epoxy-2,9,11,12,14-pentahydroxy-5-briaren-18,7-olide, 2,9,14-Tri-Ac C26H36O11 524.225761 NA MeJP NA NA +MJ077216 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Dihydroxy-2-methylbutanoyl), 9-(3-hydroxy-2-methylbutanoyl), Me ester(1) C26H36O11 524.225761 NA MeJP NA NA +MJ077217 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Dihydroxy-2-methylbutanoyl), 9-(3-hydroxy-2-methylbutanoyl), Me ester(2) C26H36O11 524.225761 NA MeJP NA NA +MJ077218 Crepiside C; 8-(2-Hydroxy-3-methylbutanoyl) C26H36O11 524.225761 NA MeJP NA NA +MJ077219 Gibberellin A27; 3-O-?-D-Glucopyranoside C26H36O11 524.225761 NA MeJP NA NA +MJ077220 Gibberellin A44; 3?-Hydroxy, ?-D-glucopyranosyl ester C26H36O11 524.225761 NA MeJP NA NA +MJ077221 Mascarol; 17-O-?-D-Glucopyranoside C26H36O11 524.225761 NA MeJP NA NA +MJ077222 Ovatuside; 8'-Aldehyde C26H36O11 524.225761 NA MeJP NA NA +MJ077223 Secoisolariciresinol, 4-O-?-D-Glucopyranoside C26H36O11 524.225761 NA MeJP NA NA +MJ077224 Secoisolariciresinol, 9-O-?-D-Glucopyranoside C26H36O11 524.225761 NA MeJP NA NA +C09132 Mascaroside C26H36O11 524.2258 NA KEGG NA NA +PJ003807 SSTCK C19H36N6O9S 524.2265 NA PeJP NA NA +PJ003808 PDFF C27H32N4O7 524.2271 NA PeJP NA NA +PJ003809 VEMF C24H36N4O7S 524.2305 NA PeJP NA NA +MJ077225 Elgodipine C29H33FN2O6 524.232265 NA MeJP NA NA +PJ003810 GSPQH C21H32N8O8 524.2343 NA PeJP NA NA +MJ077226 Artelein C30H36O8 524.241018 NA MeJP NA NA +MJ077227 Nimbocinol; 6?-Acetoxy, 14?,15?-epoxide, 7-Ac C30H36O8 524.241018 NA MeJP NA NA +MJ077228 Nimbocinol; 6?-Acetoxy, 17?-hydroxy, 7-Ac C30H36O8 524.241018 NA MeJP NA NA +MJ077229 Pungiolide A; 1'?,5'?-Epoxide C30H36O8 524.241018 NA MeJP NA NA +PJ003811 CQKF C23H36N6O6S 524.2417 NA PeJP NA NA +PJ003812 TLEY C24H36N4O9 524.2482 NA PeJP NA NA +2864 NA YPFV 524.251 antibacterial Inhouse_peptide NA peptide +MJ077230 Gelsamydine; 19-Epimer, 19-hydroxy C29H36N2O7 524.252251 NA MeJP NA NA +PJ003813 SQKY C23H36N6O8 524.2595 NA PeJP NA NA +MJ077231 2,3,6,7,11,17-Hexahydroxy-15-kauranone, 17-Me ether, 3,6,11-tri-Ac C27H40O10 524.262147 NA MeJP NA NA +MJ077232 4,18-Epoxy-6,7,8,11,19-pentahydroxy-13-cleroden-15,16-olide, 6-(2-Methylbutanoyl), 11-Ac C27H40O10 524.262147 NA MeJP NA NA +MJ077233 4,18-Epoxy-6,7,8,11,19-pentahydroxy-13-cleroden-15,16-olide, 7-(2-Methylbutanoyl), 11-Ac C27H40O10 524.262147 NA MeJP NA NA +MJ077234 4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 14,15-Dihydro, 3-propanoyl, 6,19-di-Ac C27H40O10 524.262147 NA MeJP NA NA +MJ077235 4,18:11,16:15,16-Triepoxy-3,6,15,19-clerodanetetrol, 15-Me ether, 3,6,19-tri-Ac C27H40O10 524.262147 NA MeJP NA NA +MJ077236 Safracin A C28H36N4O6 524.263484 NA MeJP NA NA +PJ003814 PVFY C28H36N4O6 524.2635 NA PeJP NA NA +PJ003815 VLMY C25H40N4O6S 524.2669 NA PeJP NA NA +PJ003816 GSPKH C22H36N8O7 524.2707 NA PeJP NA NA +8333 f(21-29) of alpha S1 casein IKHQGLPQE 524.2755 MH2+ Inhouse_peptide NA peptide +PJ003817 CKKF C24H40N6O5S 524.2781 NA PeJP NA NA +MJ077237 Okaramine C C32H36N4O3 524.278741 NA MeJP NA NA +MJ077238 Okaramine J C32H36N4O3 524.278741 NA MeJP NA NA +MJ077239 Asterasterol A C28H44O7S 524.280774 NA MeJP NA NA +PJ003818 VNHR C21H36N10O6 524.282 NA PeJP NA NA +MJ077240 Aburatubolactam B C30H40N2O6 524.288637 NA MeJP NA NA +MJ077241 Crocacin A; Parent acid C30H40N2O6 524.288637 NA MeJP NA NA +PJ003819 GHRR C20H36N12O5 524.2932 NA PeJP NA NA +PJ003820 SKKY C24H40N6O7 524.2959 NA PeJP NA NA +MJ077242 14-Labdene-6,8,12,13,20-pentol, 6,8,12,20-Tetra-Ac C28H44O9 524.298533 NA MeJP NA NA +MJ077243 16-Kaurene-6,15,20-triol, 6-O-(6-Acetyl-?-D-glucopyranoside) C28H44O9 524.298533 NA MeJP NA NA +MJ077244 2,3,14,20,22,25-Hexahydroxy-6-oxocholest-7-en-26-oic acid, Me ester C28H44O9 524.298533 NA MeJP NA NA +MJ077245 3,8(17)-Dolabelladiene-2,7,16,18-tetrol, 2-Ac, 16-(3-hydroxy-3-methylglutaryl) C28H44O9 524.298533 NA MeJP NA NA +MJ077246 Cotylenin E; 3'-Ketone C28H44O9 524.298533 NA MeJP NA NA +MJ077247 Soraphen A; 12,13-Dihydro, 12?-hydroxy, 10-O-de-Me C28H44O9 524.298533 NA MeJP NA NA +MJ077248 Soraphen A; 12,13-Dihydro, 13?-hydroxy, 11-O-de-Me C28H44O9 524.298533 NA MeJP NA NA +MJ077249 Xyloallenolide A C29H40N4O5 524.29987 NA MeJP NA NA +PJ003821 VLFF C29H40N4O5 524.2999 NA PeJP NA NA +HMDB03577 VPGPR Enterostatin C23H40N8O6 524.307068 NA HMDB2010 NA NA +HMDB03577 VPGPR Enterostatin C23H40N8O6 524.30707 http://www.hmdb.ca/metabolites/HMDB03577 HMDB NA NA +HMDB03577 VPGPR Enterostatin C23H40N8O6 524.30707 HMDB03577 PFEM_hmdb_metabocards_official NA NA +PJ003822 GPPVR C23H40N8O6 524.3071 NA PeJP NA NA +MJ077250 Deacylbengazole C; O10-(12-Methyltridecanoyl) C27H44N2O8 524.309766 NA MeJP NA NA +MJ077251 Deacylbengazole C; O10-Tetradecanoyl C27H44N2O8 524.309766 NA MeJP NA NA +MJ077252 Bisacutifolone A; 10'-Deoxy C32H44O6 524.313789 NA MeJP NA NA +MJ077253 Pseudophrynamine A; N8-Me, didehydro C33H40N4O2 524.315126 NA MeJP NA NA +PJ003823 PPRR C22H40N10O5 524.3183 NA PeJP NA NA +3742 NA PKAIP 524.319 ACE inhibitor Inhouse_peptide NA peptide +PJ003824 APPLK C25H44N6O6 524.3323 NA PeJP NA NA +MJ077254 Cholest-7-ene-2,3,5,6,9,11,19-heptol, 11-Ac C29H48O8 524.334918 NA MeJP NA NA +PJ003825 LKKH C24H44N8O5 524.3435 NA PeJP NA NA +MJ077255 3,16-Dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid, 3-Ketone, 16-Ac C33H48O5 524.350174 NA MeJP NA NA +MJ077256 Lanosta-7,9(11),24-triene-3,21-diol, 3-Ketone, 21-malonyl C33H48O5 524.350174 NA MeJP NA NA +MJ077257 Leptofuranin B; 24-Aldehyde C33H48O5 524.350174 NA MeJP NA NA +MJ077258 Morinin A; 5'-(9,12-Octadecadienoyloxy)(Z,Z-) C33H48O5 524.350174 NA MeJP NA NA +MJ077259 3,20-Diaminopregnane-2,4-diol, N20,N20-Di-Me, N3-benzoyl, 4-Ac C32H48N2O4 524.361408 NA MeJP NA NA +MJ077260 Culantraraminol, N-Oxide C32H48N2O4 524.361408 NA MeJP NA NA +MJ077261 Berteric acid C30H52O7 524.371304 NA MeJP NA NA +MJ077262 Cubensic acid C30H52O7 524.371304 NA MeJP NA NA +MJ077263 Ergostane-1,3,5,6,18,25-hexol, 25-Ac C30H52O7 524.371304 NA MeJP NA NA +MJ077264 Glabrescol C30H52O7 524.371304 NA MeJP NA NA +MJ077265 4,15,26-Triacontatriene-1,29-diyne-3,28-diol; Di-Ac C34H52O4 524.38656 NA MeJP NA NA +MJ077266 Flavidulol A; Octadecanoyl C35H56O3 524.422945 NA MeJP NA NA +MJ077267 4-Amino-1,13-diguanidino-5-tridecanone; N4-(9-Guanidinononanoyl) C25H52N10O2 524.42747 NA MeJP NA NA +HMDB07039 DG(14:1(9Z)/15:0/0:0) C32H60O5 524.444092 NA HMDB2010 NA NA +HMDB07067 DG(15:0/14:1(9Z)/0:0) C32H60O5 524.444092 NA HMDB2010 NA NA +EUR087 Retinyl palmitate C36H60O2 524.4593 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR087 Retinyl palmitate C36H60O2 524.4593 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR087 Retinyl palmitate C36H60O2 524.4593 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR087 Retinyl palmitate C36H60O2 524.4593 Wishlist Inhousejuil11 NA NA +C02588 Retinyl palmitate C36H60O2 524.4593 NA KEGG NA NA +C02589 S-Acylglutathione C11H16N3O7SR 524.4593 NA KEGG NA NA +C03455 11-cis-Retinyl palmitate C36H60O2 524.4593 NA KEGG NA NA +C03456 2''-Nucleotidylkanamycin C23H44N4O17PR 524.4593 NA KEGG NA NA +C03457 2''-Nucleotidylsisomicin C24H45N5O13PR 524.4593 NA KEGG NA NA +EUR087 Retinyl palmitate C36H60O2 524.45933 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR087 Retinyl palmitate C36H60O2 524.45933 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR087 Retinyl palmitate C36H60O2 524.45933 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR087 Retinyl palmitate C36H60O2 524.45933 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR087 Retinyl palmitate C36H60O2 524.45933 Wishlist HMDB NA NA +EUR087 Retinyl palmitate C36H60O2 524.45933 Wishlist Inhouse_PFEM NA NA +EUR087 Retinyl palmitate C36H60O2 524.45933 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR087 Retinyl palmitate C36H60O2 524.45933 Wishlist PFEM_hmdb_metabocards_official NA NA +MJ077268 12-Oleanen-3-ol, O-Hexanoyl C36H60O2 524.459331 NA MeJP NA NA +MJ077269 12-Ursen-3-ol, Hexanoyl C36H60O2 524.459331 NA MeJP NA NA +MJ077270 20(29)-Lupen-3-ol, Hexanoyl C36H60O2 524.459331 NA MeJP NA NA +MJ077271 23-Isopropyl-24-methylcycloart-25-en-3-ol, Ac C36H60O2 524.459331 NA MeJP NA NA +MJ077272 24-Methylcycloartan-3-ol, Tigloyl C36H60O2 524.459331 NA MeJP NA NA +MJ077273 Retinol; Hexadecanoyl C36H60O2 524.459331 NA MeJP NA NA +MJ077274 11-cis-Retinyl palmitate C36H60O2 524.459331 NA MeJP NA NA +MJ077275 Retinyl palmitate C36H60O2 524.459331 NA MeJP NA NA +MetaCyc03776 retinol-palmitate [retinyl palmitate;chocola A;aquasol A;vitamin A palmitate;all-trans-Retinyl palmitate;] C36H60O2 524.459331 79-81-2 metacyc NA NA +MetaCyc03777 11-cis-Retinyl palmitate [] C36H60O2 524.459331 NA metacyc NA NA +HMDB03648 Retinyl palmitate C36H60O2 524.45935 http://www.hmdb.ca/metabolites/HMDB03648 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03648 Retinyl palmitate C36H60O2 524.45935 http://www.hmdb.ca/metabolites/HMDB03648 HMDB NA NA +HMDB03648 Retinyl palmitate C36H60O2 524.45935 http://www.hmdb.ca/metabolites/HMDB03648 PFEM_hmdb_metabocards_blood NA blood +HMDB03648 Retinyl palmitate C36H60O2 524.45935 HMDB03648 PFEM_hmdb_metabocards_official NA NA +HMDB03648 Retinyl palmitate C36H60O2 524.459351 NA HMDB2010 NA NA +MJ077276 Tryptamine; Nb-Pentacosanoyl C35H60N2O 524.470564 NA MeJP NA NA +MJ077277 Budmunchiamine K; 6'-Hydroxy C31H64N4O2 524.502927 NA MeJP NA NA +MJ077278 25-Methyl-21-tritriacontene-1,9,11-triol C34H68O3 524.516846 NA MeJP NA NA +MJ077279 6,8-Pentatriacontanediol C35H72O2 524.553231 NA MeJP NA NA +MJ077280 8,10-Pentatriacontanediol C35H72O2 524.553231 NA MeJP NA NA +7812 ACE inhibitor from blue mussel EVMAGNYLPG 524.73565 MH2+ Inhouse_peptide NA peptide +8176 peptide derived from ovine colostral whey VESYVPLFP 524.7645 MH2+ Inhouse_peptide NA peptide +HMDB00582 3,5-Diiodothyronine C15H13I2NO4 524.89337 http://www.hmdb.ca/metabolites/HMDB00582 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00582 3,5-Diiodothyronine C15H13I2NO4 524.89337 http://www.hmdb.ca/metabolites/HMDB00582 HMDB NA NA +HMDB00627 3,5-Diiodo-L-thyronine C15H13I2NO4 524.89337 http://www.hmdb.ca/metabolites/HMDB00627 HMDB NA NA +HMDB00582 3,5-Diiodothyronine C15H13I2NO4 524.89337 http://www.hmdb.ca/metabolites/HMDB00582 PFEM_hmdb_metabocards_blood NA blood +HMDB00582 3,5-Diiodothyronine C15H13I2NO4 524.89337 HMDB00582 PFEM_hmdb_metabocards_official NA NA +HMDB00627 3,5-Diiodo-L-thyronine C15H13I2NO4 524.89337 HMDB00627 PFEM_hmdb_metabocards_official NA NA +MJ077281 3,3'-Diiodothyronine C15H13I2NO4 524.893394 NA MeJP NA NA +MJ077282 3,5-Diiodothyronine C15H13I2NO4 524.893394 NA MeJP NA NA +HMDB00582 3,5-Diiodothyronine C15H13I2NO4 524.89343 Polypeptides ;SYN:Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2H2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00582 3,5-Diiodothyronine C15H13I2NO4 524.893433 NA HMDB2010 NA NA +HMDB05869 3,3'-Diiodothyronine C15H13I2NO4 524.893433 NA HMDB2010 NA NA +MJ077283 Cefotiam C18H23N9O4S3 525.103512 NA MeJP NA NA +PJ003826 GCCDE C17H27N5O10S2 525.12 NA PeJP NA NA +PJ003827 CCDW C21H27N5O7S2 525.1352 NA PeJP NA NA +PJ003828 SSCDD C17H27N5O12S 525.1377 NA PeJP NA NA +PJ003829 PTCCC C18H31N5O7S3 525.1386 NA PeJP NA NA +PJ003830 GSCEM C18H31N5O9S2 525.1563 NA PeJP NA NA +PJ003831 NDDY C21H27N5O11 525.1707 NA PeJP NA NA +PJ003832 SCMW C22H31N5O6S2 525.1716 NA PeJP NA NA +PJ003833 SSSDM C18H31N5O11S 525.1741 NA PeJP NA NA +PJ003834 NMMM C19H35N5O6S3 525.175 NA PeJP NA NA +PJ003835 GSPCY C22H31N5O8S 525.1894 NA PeJP NA NA +PJ003836 GSTMM C19H35N5O8S2 525.1927 NA PeJP NA NA +MJ077284 Stephuline; 6-(3-Hydroxy-4-methoxycinnamoyl), O3-De-Me C28H31NO9 525.199881 NA MeJP NA NA +PJ003837 ACFW C26H31N5O5S 525.2046 NA PeJP NA NA +PJ003838 SQEY C22H31N5O10 525.2071 NA PeJP NA NA +PJ003839 SSTTM C19H35N5O10S 525.2105 NA PeJP NA NA +PJ003840 GSPEH C21H31N7O9 525.2184 NA PeJP NA NA +PJ003841 GTYW C26H31N5O7 525.2224 NA PeJP NA NA +PJ003842 VNMY C23H35N5O7S 525.2257 NA PeJP NA NA +MJ077285 Flosatidil C26H34F3N3O3S 525.227297 NA MeJP NA NA +PJ003843 NQQH C20H31N9O8 525.2296 NA PeJP NA NA +PJ003844 SPHW C25H31N7O6 525.2336 NA PeJP NA NA +MJ077286 Cytochalasin E; 4'-Methoxy C29H35NO8 525.236267 NA MeJP NA NA +PJ003845 GMRY C22H35N7O6S 525.237 NA PeJP NA NA +PJ003846 SKEY C23H35N5O9 525.2435 NA PeJP NA NA +C11299 Virginiamycin M1 C28H35N3O7 525.2475 NA KEGG NA NA +MJ077287 Ostreogrycin A C28H35N3O7 525.2475 NA MeJP NA NA +PJ003847 STRY C22H35N7O8 525.2547 NA PeJP NA NA +PJ003848 VNFF C27H35N5O6 525.2588 NA PeJP NA NA +PJ003849 CLKY C24H39N5O6S 525.2621 NA PeJP NA NA +C03154 N6'-Acetylkanamycin-B C20H39N5O11 525.2646 NA KEGG NA NA +MJ077288 Kanamycin B; N-Ac C20H39N5O11 525.264607 NA MeJP NA NA +MetaCyc03778 N6'-acetylkanamycin-B [] C20H39N5O11 525.264607 NA metacyc NA NA +PJ003850 VDHR C21H35N9O7 525.266 NA PeJP NA NA +7349 celiac sprue gluten epitope found in omega-gliadin PFPQPQQPI 525.267 MH2+ Inhouse_peptide NA peptide +7350 celiac sprue gluten epitope found in omega-gliadin PQPQLPFPQ 525.267 MH2+ Inhouse_peptide NA peptide +7357 celiac sprue gluten epitope found in hordein PFPQQPIPQ 525.267 MH2+ Inhouse_peptide NA peptide +7361 celiac sprue gluten epitope found in hordein PLPQPQQPF 525.267 MH2+ Inhouse_peptide NA peptide +7363 celiac sprue gluten epitope found in hordein PQPFPQQPI 525.267 MH2+ Inhouse_peptide NA peptide +PJ003851 ALHW C26H35N7O5 525.27 NA PeJP NA NA +MJ077289 Cytochalasin O C30H39NO7 525.272652 NA MeJP NA NA +MJ077290 Gadesine; O14-Benzoyl C30H39NO7 525.272652 NA MeJP NA NA +MJ077291 Isodesmosine C24H39N5O8 525.279863 NA MeJP NA NA +MJ077292 Desmosine C24H40N5O8(+) 525.279863 NA MeJP NA NA +PJ003852 APPLE C24H39N5O8 525.2799 NA PeJP NA NA +EUR875 Lyso PE 20:3 [M+Na]+ C25H46NO7P 525.283138 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR875 Lyso PE 20:3 [M+Na]+ C25H46NO7P 525.283138 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR875 Lyso PE 20:3 [M+Na]+ C25H46NO7P 525.283138 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR875 Lyso PE 20:3 [M+Na]+ C25H46NO7P 525.283138 masses lipides attendues Inhousejuil11 NA NA +MJ077293 Tyrostatin C29H39N3O6 525.283885 NA MeJP NA NA +HMDB11496 LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C27H44NO7P 525.285522 NA HMDB2010 NA NA +HMDB11526 LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C27H44NO7P 525.285522 NA HMDB2010 NA NA +EUR914 Lyso PE 22:6 monoisotopic mass C27H44NO7P 525.285542 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR914 Lyso PE 22:6 monoisotopic mass C27H44NO7P 525.285542 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR914 Lyso PE 22:6 monoisotopic mass C27H44NO7P 525.285542 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR914 Lyso PE 22:6 monoisotopic mass C27H44NO7P 525.285542 masses lipides attendues Inhousejuil11 NA NA +PJ003853 LKEH C23H39N7O7 525.2911 NA PeJP NA NA +MJ077294 Protoverine C27H43NO9 525.293781 NA MeJP NA NA +C10817 Protoverine C27H43NO9 525.2938 NA KEGG NA NA +PJ003854 NKKH C22H39N9O6 525.3023 NA PeJP NA NA +PJ003855 TLHR C22H39N9O6 525.3024 NA PeJP NA NA +EUR842 Lyso PE 18:1 [M+FA-H]- C23H46NO7P 525.306072 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR842 Lyso PE 18:1 [M+FA-H]- C23H46NO7P 525.306072 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR842 Lyso PE 18:1 [M+FA-H]- C23H46NO7P 525.306072 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR842 Lyso PE 18:1 [M+FA-H]- C23H46NO7P 525.306072 masses lipides attendues Inhousejuil11 NA NA +EUR733 Lyso PC 14:1 [M-H+acetate]- C22H44NO7P 525.306642 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR733 Lyso PC 14:1 [M-H+acetate]- C22H44NO7P 525.306642 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR733 Lyso PC 14:1 [M-H+acetate]- C22H44NO7P 525.306642 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR733 Lyso PC 14:1 [M-H+acetate]- C22H44NO7P 525.306642 masses lipides attendues Inhousejuil11 NA NA +MJ077295 Talatizamine; O14-Benzoyl C31H43NO6 525.309038 NA MeJP NA NA +PJ003856 SPPLL C25H43N5O7 525.3163 NA PeJP NA NA +PJ003857 GPPKK C24H43N7O6 525.3275 NA PeJP NA NA +MJ077296 Picromycin C28H47NO8 525.330167 NA MeJP NA NA +MJ077297 Tumonoic acid B C28H47NO8 525.330167 NA MeJP NA NA +C11999 Pikromycin C28H47NO8 525.3302 NA KEGG NA NA +MJ077298 Lycorine, O1-Hexadecanoyl C32H47NO5 525.345423 NA MeJP NA NA +PJ003858 APLLL C26H47N5O6 525.3527 NA PeJP NA NA +MJ077299 Ilmofosine C26H56NO5PS 525.361681 NA MeJP NA NA +MJ077300 3-Methyl-2-[6-(3-methyl-2-butenyl)-1H-indol-3-yl]-1,3-butanediol, O2'-Hexadecanoyl C34H55NO3 525.418194 NA MeJP NA NA +C14758 ICI 164384 C34H55NO3 525.4182 NA KEGG NA NA +MJ077301 3-[7-[2-Ethoxy-3-(hexadecyloxy)propoxy]heptyl]thiazolium(1+) C31H60NO3S(+) 525.421565 NA MeJP NA NA +7355 celiac sprue gluten epitope found in hordein PFPQPQQPN 525.74645 MH2+ Inhouse_peptide NA peptide +7354 celiac sprue gluten epitope found in hordein PFPQPQEPI 525.759 MH2+ Inhouse_peptide NA peptide +7707 pyrokinin TENMO-PK-3 HLSPFSPRL~ 525.7895 MH2+ Inhouse_peptide NA peptide +8169 ACE inhibitor GPVRGPFPII 525.8015 MH2+ Inhouse_peptide NA peptide +8286 antioxidative peptide GPVRGPFPII 525.8015 MH2+ Inhouse_peptide NA peptide +FL5FAANSS004 Kaempferol 3,7,4'-tri-O-sulfate C15H10O15S3 525.91818 79174-98-4 knapsack NA NA +MJ077302 3,4',5,7-Tetrahydroxyflavone; 3,4',7-Tri-O-sulfate C15H10O15S3 525.918181 NA MeJP NA NA +MJ077303 Tauroacidin A C13H16Br2N6O5S 525.926963 NA MeJP NA NA +MetaCyc03779 2-amino-4-oxo-6-(erythro-1',2',3'-trihydroxyprolyl)-7,8-dihydroxypteridine triphosphate [] C9H15N5O15P3 525.977749 NA metacyc NA NA +MJ077304 Matchamycin C26H13CuN3O6 526.010036 NA MeJP NA NA +MJ077305 4',5,7-Trihydroxyflavone; 7-O-(O-Sulfo-?-D-glucuronopyranoside) C21H18O14S 526.041725 NA MeJP NA NA +MJ077306 Gilmaniellin C26H19ClO10 526.066674 NA MeJP NA NA +MJ077307 Succinate semialdehyde-thiamin diphosphate anion C16H24N4O10P2S 526.068836 NA MeJP NA NA +MJ077308 Griseorhodin C C25H18O13 526.07474 NA MeJP NA NA +MJ077309 Hiascic acid; 5-Ac C26H22O12 526.111126 NA MeJP NA NA +MJ077310 Mangiferin; 2'-Benzoyl C26H22O12 526.111126 NA MeJP NA NA +MJ077311 Mangiferin; 4'-Benzoyl C26H22O12 526.111126 NA MeJP NA NA +MJ077312 Mangiferin; 6'-Benzoyl C26H22O12 526.111126 NA MeJP NA NA +MJ077313 Falconensin A; 1',2'-Dihydro, 8-Ac C25H28Cl2O8 526.116123 NA MeJP NA NA +C11462 3-Hydroxy-L-tyrosyl-AMP C19H23N6O10P 526.1213 NA KEGG NA NA +C11463 3,4-Dihydroxy-L-phenylalanyl-[pcp] C9H10NO3SR 526.1213 NA KEGG NA NA +C11464 5-Chloro-3,4-dihydroxy-L-phenylalanyl-[pcp] C9H9ClNO3SR 526.1213 NA KEGG NA NA +MJ077314 4',7-Dihydroxyflavanone(3?3')-2',4,4',6'-tetrahydroxychalcone C30H22O9 526.126382 NA MeJP NA NA +MJ077315 Calodenin B; 2'',3''-Dihydro C30H22O9 526.126382 NA MeJP NA NA +MJ077316 Calodenin B; 2,3-Dihydro(trans-) C30H22O9 526.126382 NA MeJP NA NA +MJ077317 Daphnodorin B; 3-Deoxy C30H22O9 526.126382 NA MeJP NA NA +MJ077318 Daphnodorin K C30H22O9 526.126382 NA MeJP NA NA +MJ077319 Genkwanol A; 3-Deoxy, 8,9-diepimer C30H22O9 526.126382 NA MeJP NA NA +MJ077320 Gnetuhainin H; 2,3-Didehydro C30H22O9 526.126382 NA MeJP NA NA +MJ077321 Lophirone C; 3-Hydroxy C30H22O9 526.126382 NA MeJP NA NA +MJ077322 Maackiasin C30H22O9 526.126382 NA MeJP NA NA +MJ077323 Rubellin A C30H22O9 526.126382 NA MeJP NA NA +MJ077324 Rubellin C C30H22O9 526.126382 NA MeJP NA NA +MJ077325 Urundeuvina A C30H22O9 526.126382 NA MeJP NA NA +MJ077326 Wikstrol A; 3-Deoxy C30H22O9 526.126382 NA MeJP NA NA +MJ077327 Wikstrol A; Atropisomer, 3-deoxy C30H22O9 526.126382 NA MeJP NA NA +MJ077328 Antibiotic PB 5582A C16H26N6O12S 526.132941 NA MeJP NA NA +PJ003859 GCCNM C17H30N6O7S3 526.1338 NA PeJP NA NA +8204 peptide from Cornu Bubali (Bubalus Bubalis horn) YEDCTDCGN 526.13485 MH2+ Inhouse_peptide NA peptide +FL6FACGS0002 Viscutin 1 C27H26O11 526.14751 108403-43-6 knapsack NA NA +MJ077329 3',4',5,7-Tetrahydroxyflavan, 5-O-(2-O-p-Hydroxybenzoylxylopyranoside) C27H26O11 526.147511 NA MeJP NA NA +MJ077330 3-Hydroxyumbilicaric acid; 3,4-Di-Me ether C27H26O11 526.147511 NA MeJP NA NA +MJ077331 Diphyllin; O-[4-O-Methyl-?-D-xylopyranoside] C27H26O11 526.147511 NA MeJP NA NA +MJ077332 Hiascic acid; 2,4,5-Tri-Me ether C27H26O11 526.147511 NA MeJP NA NA +MJ077333 Torreyaflavonoloside C27H26O11 526.147511 NA MeJP NA NA +PJ003860 SSCCQ C17H30N6O9S2 526.1516 NA PeJP NA NA +MJ077334 Anziaic acid; 3,5-Dichloro, 2,2'-di-Me ether C26H32Cl2O7 526.152508 NA MeJP NA NA +PJ003861 DDDY C21H26N4O12 526.1547 NA PeJP NA NA +MJ077335 Camptothecin, 9-?-D-Glucopyranosyloxy C26H26N2O10 526.158745 NA MeJP NA NA +PJ003862 DMMM C19H34N4O7S3 526.159 NA PeJP NA NA +MJ077336 4-Amino-2-methyl-1-[6-[(2-methyl-4-quinolinyl)amino]hexyl]quinolinium(1+); Iodide C26H31IN4 526.15934 NA MeJP NA NA +MJ077337 Azobechalcone A C31H26O8 526.162767 NA MeJP NA NA +C09114 Inumakilactone A glycoside C24H30O13 526.1686 NA KEGG NA NA +MJ077338 1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[4-hydroxy-3,5-dimethoxybenzoyl-(?6)-?-D-glucopyranoside] C24H30O13 526.168641 NA MeJP NA NA +MJ077339 Inumakilactone A; 15-O-?-D-Glucopyranoside C24H30O13 526.168641 NA MeJP NA NA +MJ077340 Lamiide; 7-Benzoyl C24H30O13 526.168641 NA MeJP NA NA +MJ077341 Nyctanthoside; 10-Benzoyl C24H30O13 526.168641 NA MeJP NA NA +MJ077342 Oleuropein; 10-Hydroxy, 3''-deoxy, parent acid C24H30O13 526.168641 NA MeJP NA NA +MJ077343 Paeoniflorin; 3''-Methoxy, 4''-hydroxy C24H30O13 526.168641 NA MeJP NA NA +MJ077344 Paulownioside; 8-Epimer, 10-(4-hydroxy-E-cinnamoyl) C24H30O13 526.168641 NA MeJP NA NA +MJ077345 Secologanol; 7-O-(2,5-Dihydroxybenzoyl) C24H30O13 526.168641 NA MeJP NA NA +PJ003863 GSSSSC C17H30N6O11S 526.1693 NA PeJP NA NA +PJ003864 ACCCK C18H34N6O6S3 526.1702 NA PeJP NA NA +PJ003865 DDMF C22H30N4O9S 526.1734 NA PeJP NA NA +MJ077346 Aglaiastatin; 3'-Hydroxy, 5a''',N6'''-didehydro, 7-O-de-Me C30H26N2O7 526.174001 NA MeJP NA NA +MJ077347 N-[2-[5-(Aminoiminomethyl)-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]-3,5-difluoro-4-pyridinyl]-N-methylglycine C25H24F2N6O5 526.177624 NA MeJP NA NA +PJ003866 CMHH C20H30N8O5S2 526.1781 NA PeJP NA NA +FL63ACNC0003 Pilosanol B C28H30O10 526.18389 142542-77-6 knapsack NA NA +FL63ACNC0004 Pilosanol C C28H30O10 526.18389 142542-78-7 knapsack NA NA +MJ077348 3,4,4',5',9,9'-Hexahydroxy-8,2'-neoligna-7,7'-diene, 3,4'-Di-Me ether, tetra-Ac C28H30O10 526.183897 NA MeJP NA NA +MJ077349 Alvaradoin A C28H30O10 526.183897 NA MeJP NA NA +MJ077350 Isophysalin G C28H30O10 526.183897 NA MeJP NA NA +MJ077351 Physalin B; 5?,6?-Epoxide C28H30O10 526.183897 NA MeJP NA NA +MJ077352 Physalin B; 5?,6?-Epoxide C28H30O10 526.183897 NA MeJP NA NA +MJ077353 Physalin B; 7?-Hydroxy C28H30O10 526.183897 NA MeJP NA NA +MJ077354 Physalin C; 7?-Hydroxy C28H30O10 526.183897 NA MeJP NA NA +MJ077355 Physalin G C28H30O10 526.183897 NA MeJP NA NA +MJ077356 Physalin P C28H30O10 526.183897 NA MeJP NA NA +MJ077357 Pilosanol B C28H30O10 526.183897 NA MeJP NA NA +MJ077358 Pilosanol C C28H30O10 526.183897 NA MeJP NA NA +MJ077359 Punarnavoside C28H30O10 526.183897 NA MeJP NA NA +MJ077360 Rhamnose; ?-L-Pyranose-form, 3,4-Bis-O-(4-methoxycinnamoyl)(E,E-), 2-Ac C28H30O10 526.183897 NA MeJP NA NA +MJ077361 Territrem A' C28H30O10 526.183897 NA MeJP NA NA +PJ003867 CNQY C21H30N6O8S 526.1846 NA PeJP NA NA +PJ003868 SSCCK C18H34N6O8S2 526.188 NA PeJP NA NA +MJ077362 Harpagide; 6'-O-?-D-Glucopyranosyl C21H34O15 526.18977 NA MeJP NA NA +MJ077363 Paulownioside; 8-Epimer, 6-O-?-L-rhamnopyranoside C21H34O15 526.18977 NA MeJP NA NA +PJ003869 SEEY C22H30N4O11 526.1911 NA PeJP NA NA +MJ077364 Antibiotic UK 2; Antibiotic UK 2B C27H30N2O9 526.19513 NA MeJP NA NA +MJ077365 Lyaloside C27H30N2O9 526.19513 NA MeJP NA NA +PJ003870 GPCNH C20H30N8O7S 526.1958 NA PeJP NA NA +MJ077366 20-Chloro-7,8:17,19-diepoxy-1(19),10(17),13-xenicatriene-6,11,12,18-tetrol; 11,12,18-Tri-Ac C26H35ClO9 526.19696 NA MeJP NA NA +MJ077367 6-Chloro-2,8,9,14-tetrahydroxy-5(16),11(20)-briaradien-18,7-olide; 2,9,14-Tri-Ac C26H35ClO9 526.19696 NA MeJP NA NA +CJneg0639 Ketoretinoic acid glucuronide isomer [(M+Cl)]- C26H34ClO9 526.197425 C18rt(min)=8.85 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0639 Ketoretinoic acid glucuronide isomer [(M+Cl)]- C26H34ClO9 526.197425 C18rt(min)=8.85 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +FL1CA9NC0001 Kurzichalcolactone C32H30O7 526.19915 150813-89-1 knapsack NA NA +FL2FA9NC0014 Kurziflavolactone A;(2R,12R,14R,16R)-rel-(-)-2,3,9,10,11,12,15,16-Octahydro-5,14-dihydroxy-2-phenyl-14-[(1E)-2-phenylethenyl]-12,16-methano-4H,8H,14H-pyrano[2,3-l][1,7]benzodioxacyclododecin-4,8-dione C32H30O7 526.19915 150813-87-9 knapsack NA NA +FL2FA9NC0015 Kurziflavolactone B;(2R,12S,14S,16S)-rel-(-)-2,3,9,10,11,12,15,16-Octahydro-5,14-dihydroxy-2-phenyl-14-[(1E)-2-phenylethenyl]-2,16-methano-4H,8H,14H-pyrano[2,3-l][1,7]benzodioxacyclododecin-4,8-dione C32H30O7 526.19915 150852-76-9 knapsack NA NA +FL2FA9NC0016 Kurziflavolactone C;(6R,8R,10R,14R)-rel-(-)-3,4,5,6,9,10,13,14-Octahydro-8,11-dihydroxy-14-phenyl-8-[(1E)-2-phenylethenyl]-6,10-methano-2H,8H,12H-pyrano[3,2-m]-1,7-benzodioxacyclododecin-2,12-dione C32H30O7 526.19915 150813-88-0 knapsack NA NA +FL2FA9NC0017 Kurziflavolactone D;(6R,8R,10R,14S)-rel-(-)-3,4,5,6,9,10,13,14-Octahydro-8,11-dihydroxy-14-phenyl-8-[(1E)-2-phenylethenyl]-6,10-methano-2H,8H,12H-pyrano[3,2-m]-1,7-benzodioxacyclododecin-2,12-dione C32H30O7 526.19915 150852-77-0 knapsack NA NA +MJ077368 Kurzichalcolactone C32H30O7 526.199153 NA MeJP NA NA +MJ077369 Kurziflavolactone A C32H30O7 526.199153 NA MeJP NA NA +MJ077370 Kurziflavolactone C C32H30O7 526.199153 NA MeJP NA NA +PJ003871 GSSNY C21H30N6O10 526.2024 NA PeJP NA NA +MJ077371 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3-Me ether, 7-O-?-D-glucopyranoside C25H34O12 526.205026 NA MeJP NA NA +MJ077372 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3-Me ether, 9-O-?-D-glucopyranoside C25H34O12 526.205026 NA MeJP NA NA +MJ077373 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3-Me ether, 3'-O-?-D-glucopyranoside C25H34O12 526.205026 NA MeJP NA NA +MJ077374 Abelioside B; 7-Aldehyde C25H34O12 526.205026 NA MeJP NA NA +MJ077375 Gibberellin A7; 16,17-Dihydro, 16?,17-dihydroxy, 17-O-?-D-glucopyranoside C25H34O12 526.205026 NA MeJP NA NA +MJ077376 Gibberellin A8; 2-O-?-D-Glucopyranoside C25H34O12 526.205026 NA MeJP NA NA +MJ077377 Samaderine C; 2-O-?-D-Glucopyranoside C25H34O12 526.205026 NA MeJP NA NA +PJ003872 VDMY C23H34N4O8S 526.2098 NA PeJP NA NA +MJ077378 Aglaiastatin C31H30N2O6 526.210386 NA MeJP NA NA +PJ003873 NQEH C20H30N8O9 526.2136 NA PeJP NA NA +MJ077379 (4'-O-3')-Bi(eupomatenoid 6) C36H30O4 526.214409 NA MeJP NA NA +MJ077380 11(15?1)-Abeo-5,20:10,5-diepoxy-2,4,7,13-tetrahydroxy-11-taxen-9-one, 2-Benzoyl, 4-Ac C29H34O9 526.220282 NA MeJP NA NA +MJ077381 ?-Alectoronic acid; 6-Me ether C29H34O9 526.220282 NA MeJP NA NA +MJ077382 Alectoronic acid; 3-Me ether C29H34O9 526.220282 NA MeJP NA NA +MJ077383 Angustidienolide; 2-Hydroxy C29H34O9 526.220282 NA MeJP NA NA +MJ077384 Roridin H; 7?,8?-Epoxide C29H34O9 526.220282 NA MeJP NA NA +MJ077385 Territrem C; 4'-Me ether C29H34O9 526.220282 NA MeJP NA NA +PJ003874 CNKY C22H34N6O7S 526.221 NA PeJP NA NA +PJ003875 VMMF C24H38N4O5S2 526.2284 NA PeJP NA NA +PJ003876 GQHW C24H30N8O6 526.2289 NA PeJP NA NA +2847 NA YPFT 526.23 antibacterial Inhouse_peptide NA peptide +MJ077386 4-Chloro-10,11-epoxy-7(14)-bisabolene-1,2,3,8-tetrol; 2,8-Diangeloyl, 1-Ac C27H39ClO8 526.233345 NA MeJP NA NA +MJ077387 4-Chloro-7(14)-bisabolene-1,2,3,8,10,11-hexol, 11-Deoxy, 11,12-didehydro, 1,8-diangeloyl, 2-Ac C27H39ClO8 526.233345 NA MeJP NA NA +MJ077388 Haterumalide NE; 3-Ac, butyl ester C27H39ClO8 526.233345 NA MeJP NA NA +PJ003877 GPPQE C22H34N6O9 526.2387 NA PeJP NA NA +PJ003878 LEEH C22H34N6O9 526.2388 NA PeJP NA NA +PJ003879 PHHH C23H30N10O5 526.2401 NA PeJP NA NA +MJ077389 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,4,10-Tri-Ac C26H38O11 526.241412 NA MeJP NA NA +MJ077390 2,15-Dihydroxy-16-kaurene-18,19-dioic acid, 2-O-?-D-Glucopyranoside C26H38O11 526.241412 NA MeJP NA NA +MJ077391 4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,5,13-Tri-Ac C26H38O11 526.241412 NA MeJP NA NA +MJ077392 4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 5,10,13-Tri-Ac C26H38O11 526.241412 NA MeJP NA NA +MJ077393 Amarolide; 2-O-?-D-Glucopyranoside C26H38O11 526.241412 NA MeJP NA NA +MJ077394 Anhydrosincassiol; 19-O-?-D-Glucopyranoside C26H38O11 526.241412 NA MeJP NA NA +MJ077395 Lamourouxide I C26H38O11 526.241412 NA MeJP NA NA +MJ077396 Ovatuside C26H38O11 526.241412 NA MeJP NA NA +PJ003880 PTFY C27H34N4O7 526.2428 NA PeJP NA NA +PJ003881 TLMY C24H38N4O7S 526.2461 NA PeJP NA NA +PJ003882 NKEH C21H34N8O8 526.25 NA PeJP NA NA +PJ003883 PPQW C26H34N6O6 526.254 NA PeJP NA NA +FL4DALNI0012 Kosamol A;3,5,7,2',4'-Pentahydroxy-6-(3-hydroxy-3-methylbutyl)-8-lavandulylflavanone C30H38O8 526.25666 182556-80-5 knapsack NA NA +MJ077397 3,7,12-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid, 3,7,12-Triketone C30H38O8 526.256668 NA MeJP NA NA +MJ077398 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 12-Benzoyl, 11-Ac C30H38O8 526.256668 NA MeJP NA NA +MJ077399 5,6:18,20-Diepoxy-4,18-dihydroxy-1-oxowith-2-enolide, 24,25-Didehydro, 4-Ac C30H38O8 526.256668 NA MeJP NA NA +MJ077400 7,8-Epoxy-3,20-dihydroxy-12,15,23-trioxo-9(11),16-lanostadien-26-oic acid, 3-Ketone C30H38O8 526.256668 NA MeJP NA NA +MJ077401 Absintholide C30H38O8 526.256668 NA MeJP NA NA +MJ077402 Chisocheton compound G C30H38O8 526.256668 NA MeJP NA NA +MJ077403 Gnidilatin; De(benzoyloxy), 22,23,24,25,26,27-hexadehydro C30H38O8 526.256668 NA MeJP NA NA +MJ077404 Kushenol M; 2'',3''-Dihydro, 3''-hydroxy C30H38O8 526.256668 NA MeJP NA NA +MJ077405 Marnoodin C30H38O8 526.256668 NA MeJP NA NA +MJ077406 Pinoresinol, Bis(3-methylbutanoyl) C30H38O8 526.256668 NA MeJP NA NA +MJ077407 Surenin C30H38O8 526.256668 NA MeJP NA NA +MJ077408 Withangulatin A C30H38O8 526.256668 NA MeJP NA NA +MJ077409 Kanamycin B; 6''-O-Carbamoyl C19H38N6O11 526.259856 NA MeJP NA NA +C18000 Nebramycin factor 4 C19H38N6O11 526.2599 NA KEGG NA NA +PJ003884 SQHR C20H34N10O7 526.2612 NA PeJP NA NA +MJ077410 Murrafoline C C36H34N2O2 526.262028 NA MeJP NA NA +MJ077411 Murrafoline H C36H34N2O2 526.262028 NA MeJP NA NA +MJ077412 Murranimbine C36H34N2O2 526.262028 NA MeJP NA NA +MJ077413 ?-L-Fucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-L-rhamnose; ?-Pyranose-form, Me glycoside, 2,2'',3'',4''-tetra-Me C23H42O13 526.262541 NA MeJP NA NA +MJ077414 Dequalinium(2+); Dichloride C30H40Cl2N4 526.263002 NA MeJP NA NA +PJ003885 GKHW C25H34N8O5 526.2652 NA PeJP NA NA +MJ077415 Antibiotic CJ 12662; Dechloro C29H38N2O7 526.267901 NA MeJP NA NA +2911 neuropeptide from eyestalk of Macrobrachium rosenb SDRNFLRF~ 526.2699 MH2+ Inhouse_peptide NA peptide +PJ003886 GPPKE C23H38N6O8 526.2751 NA PeJP NA NA +MJ077416 1,4,6,12,18,19-Hexahydroxy-13-cleroden-15,16-olide, 1-(2S-Methylbutanoyl), 19-Ac C27H42O10 526.277797 NA MeJP NA NA +MJ077417 Chlamydocin C28H38N4O6 526.279134 NA MeJP NA NA +MJ077418 Iganidipine C28H38N4O6 526.279134 NA MeJP NA NA +PJ003887 VVFY C28H38N4O6 526.2792 NA PeJP NA NA +MJ077419 Itriglumide C33H38N2O4 526.283157 NA MeJP NA NA +PJ003888 GPPTR C22H38N8O7 526.2864 NA PeJP NA NA +MJ077420 Neothiobinupharidine; 6,6'-Dihydroxy C30H42N2O4S 526.286528 NA MeJP NA NA +MJ077421 Thiobinupharidine; 6'S-Hydroxy, S-oxide (?-) C30H42N2O4S 526.286528 NA MeJP NA NA +MJ077422 Thiobinupharidine; 6?,6'?-Dihydroxy C30H42N2O4S 526.286528 NA MeJP NA NA +MJ077423 Thiobinupharidine; 6R-Hydroxy, S-oxide (?-) C30H42N2O4S 526.286528 NA MeJP NA NA +MJ077424 Thiobinupharidine; 6R-Hydroxy, S-oxide (?-) C30H42N2O4S 526.286528 NA MeJP NA NA +MJ077425 Thiobinupharidine; 6?,6'?-Dihydroxy C30H42N2O4S 526.286528 NA MeJP NA NA +MJ077426 Thiobinupharidine; 7-Epimer, 6R-hydroxy, S-oxide (?-) C30H42N2O4S 526.286528 NA MeJP NA NA +MJ077427 Thionuphlutine B; 6'R-Hydroxy, ?-S-oxide C30H42N2O4S 526.286528 NA MeJP NA NA +MJ077428 Thionuphlutine B; 6,6'-Dihydroxy C30H42N2O4S 526.286528 NA MeJP NA NA +HMDB00572 Desmosine C24H40N5O8 526.287659 NA HMDB2010 NA NA +HMDB00739 Isodesmosine C24H40N5O8 526.287659 NA HMDB2010 NA NA +HMDB00572 Desmosine C24H40N5O8 526.28772 http://www.hmdb.ca/metabolites/HMDB00572 HMDB NA NA +HMDB00739 Isodesmosine C24H40N5O8 526.28772 http://www.hmdb.ca/metabolites/HMDB00739 HMDB NA NA +HMDB00572 Desmosine C24H40N5O8 526.28772 HMDB00572 PFEM_hmdb_metabocards_official NA NA +HMDB00739 Isodesmosine C24H40N5O8 526.28772 HMDB00739 PFEM_hmdb_metabocards_official NA NA +MJ077429 Antibiotic SB 291071 C26H42N2O9 526.28903 NA MeJP NA NA +PJ003889 PPKW C27H38N6O5 526.2904 NA PeJP NA NA +MJ077430 1,2,9-Trihydroxydihydro-?-agarofuran, 9E-Cinnamoyl, 2-(2-methylbutanoyl), 1-Ac C31H42O7 526.293053 NA MeJP NA NA +MJ077431 Helvolic acid; O6-De-Ac C31H42O7 526.293053 NA MeJP NA NA +MJ077432 Milbemycin ?1; 5-Ketone C31H42O7 526.293053 NA MeJP NA NA +MJ077433 Picrolichenic acid; Homologue (3) C31H42O7 526.293053 NA MeJP NA NA +MJ077434 Picrolichenic acid; Homologue (4) C31H42O7 526.293053 NA MeJP NA NA +MJ077435 Ceridimine; 16-Hydroxymethyl C32H38N4O3 526.294391 NA MeJP NA NA +MJ077436 22,23-Epoxyergost-7-ene-2,3,4-triol, 4-Sulfate C28H46O7S 526.296424 NA MeJP NA NA +MJ077437 3,6,20-Trihydroxyergost-9(11)-en-23-one, 3-O-Sulfate C28H46O7S 526.296424 NA MeJP NA NA +MJ077438 Ergosta-7,22-diene-3,5,6,9-tetrol, 6-O-Sulfate C28H46O7S 526.296424 NA MeJP NA NA +PJ003890 SKHR C21H38N10O6 526.2976 NA PeJP NA NA +MJ077439 Acobretine A; O8-de-Ac, O14-de-Me C30H42N2O6 526.304287 NA MeJP NA NA +MJ077440 Dihydromonticamine; O1-Me, O4-(2-aminobenzoyl) C30H42N2O6 526.304287 NA MeJP NA NA +PJ003891 SPPVK C24H42N6O7 526.3115 NA PeJP NA NA +MJ077441 Butyrolactol A C28H46O9 526.314183 NA MeJP NA NA +MJ077442 Cotylenin E C28H46O9 526.314183 NA MeJP NA NA +MJ077443 Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[2,6-Dideoxy-3-O-methyl-?-D-hexopyranoside] C28H46O9 526.314183 NA MeJP NA NA +PJ003892 AAPLR C23H42N8O6 526.3228 NA PeJP NA NA +MJ077444 Tryptophyllin L 2.1 C28H42N6O4 526.326753 NA MeJP NA NA +MJ077445 16,17:24,25-Diepoxy-23-hydroxy-12-protostene-3,11-dione, 23-Ac C32H46O6 526.329439 NA MeJP NA NA +MJ077446 20,24-Epoxy-3,16-dihydroxycucurbita-5,23-diene-11,22-dione, 3-Ac C32H46O6 526.329439 NA MeJP NA NA +MJ077447 3,15-Dihydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid, 15-Ac C32H46O6 526.329439 NA MeJP NA NA +MJ077448 3,15-Dihydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid, 3-Ac C32H46O6 526.329439 NA MeJP NA NA +MJ077449 7-Hydroxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid, Ac, Me ester C32H46O6 526.329439 NA MeJP NA NA +MJ077450 Acteol; 26-Deoxy, 7,8-didehydro, 12-Ac C32H46O6 526.329439 NA MeJP NA NA +MJ077451 Anguinomycin B C32H46O6 526.329439 NA MeJP NA NA +MJ077452 Azadirachtol C32H46O6 526.329439 NA MeJP NA NA +MJ077453 Brasiliensic acid C32H46O6 526.329439 NA MeJP NA NA +MJ077454 Inophylloidic acid C32H46O6 526.329439 NA MeJP NA NA +MJ077455 Leptomycin A C32H46O6 526.329439 NA MeJP NA NA +MJ077456 Macrophyllin C32H46O6 526.329439 NA MeJP NA NA +MJ077457 Milbemycin ?2; 28-Deoxy, 5-O-de-Me, 5-ketone C32H46O6 526.329439 NA MeJP NA NA +MJ077458 Petuniasterone C; 7,22-Di-Ac C32H46O6 526.329439 NA MeJP NA NA +MJ077459 Pseudobrasiliensic acid C32H46O6 526.329439 NA MeJP NA NA +PJ003893 PVRR C22H42N10O5 526.334 NA PeJP NA NA +PJ003894 GPLLK C25H46N6O6 526.3479 NA PeJP NA NA +MJ077460 2,3,7,11,15-Pentahydroxy-18-hydroxymethyl-2,6,10,14,16,20-hexamethyl-4,8,12,16-docosatetraenoic acid C29H50O8 526.350568 NA MeJP NA NA +MJ077461 Hemiasterlin C30H46N4O4 526.351905 NA MeJP NA NA +MJ077462 7,8-Didehydro-?,?-carotene C40H46 526.359951 NA MeJP NA NA +MJ077463 7,8-Didehydro-?,?-carotene C40H46 526.359951 NA MeJP NA NA +MJ077464 3,11-Dihydroxy-12-ursen-24-oic acid, 11-Ketone, 3-Ac, Me ester C33H50O5 526.365824 NA MeJP NA NA +MJ077465 3,15-Dihydroxy-24-methylenelanost-8-en-21-oic acid, 3-Ketone, 15-Ac C33H50O5 526.365824 NA MeJP NA NA +MJ077466 3,15-Dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid, 15-Ac C33H50O5 526.365824 NA MeJP NA NA +MJ077467 3,16-Dihydroxy-24-methylenelanost-8-en-21-oic acid, 3-Ketone, 16-Ac C33H50O5 526.365824 NA MeJP NA NA +MJ077468 3,16-Dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid, 3-Ac C33H50O5 526.365824 NA MeJP NA NA +MJ077469 3,27-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone, 27-Ac, Me ester C33H50O5 526.365824 NA MeJP NA NA +MJ077470 Leptofuranin B C33H50O5 526.365824 NA MeJP NA NA +MJ077471 Morinin A; 5'-(9-Octadecenoyloxy)(Z-) C33H50O5 526.365824 NA MeJP NA NA +MJ077472 Flabelliformine; 1:1 Complex with Lycodoline CDK02-O C32H50N2O4 526.377058 NA MeJP NA NA +MJ077473 29-Methylstigmastane-3,5,6,8,15,28,29-heptol C30H54O7 526.386954 NA MeJP NA NA +MJ077474 12-Oleanene-3,28-diol, Di-Ac C34H54O4 526.40221 NA MeJP NA NA +MJ077475 12-Ursene-3,11-diol, Di-Ac C34H54O4 526.40221 NA MeJP NA NA +MJ077476 14-Taraxerene-3,29-diol, Di-Ac C34H54O4 526.40221 NA MeJP NA NA +MJ077477 18-Oleanene-3,16-diol, Di-Ac C34H54O4 526.40221 NA MeJP NA NA +MJ077478 2,3-Dihydroxy-12-oleanen-28-oic acid, 2,3-O-Isopropylidene, Me ester C34H54O4 526.40221 NA MeJP NA NA +MJ077479 2-Octaprenylphenol C38H54O 526.417466 NA MeJP NA NA +MJ077480 Antibiotic SF 2425 C25H54N10O2 526.443121 NA MeJP NA NA +HMDB07010 DG(14:0/15:0/0:0) C32H62O5 526.459717 NA HMDB2010 NA NA +HMDB07066 DG(15:0/14:0/0:0) C32H62O5 526.459717 NA HMDB2010 NA NA +MJ077481 Indoxacarb, ANSI C22H17ClF3N3O7 527.070712 NA MeJP NA NA +HMDB06744 3-carboxy-1-hydroxypropylthiamine diphosphate C16H25N4O10P2S 527.07666 http://www.hmdb.ca/metabolites/HMDB06744 HMDB NA NA +HMDB06744 3-carboxy-1-hydroxypropylthiamine diphosphate C16H25N4O10P2S 527.07666 HMDB06744 PFEM_hmdb_metabocards_official NA NA +HMDB06744 3-carboxy-1-hydroxypropylthiamine diphosphate C16H25N4O10P2S 527.07666 NA HMDB2010 NA NA +MetaCyc03780 succinate-semialdehyde-thiamine PPi [Succinate semialdehyde-thiamin diphosphate anion;succinate-semialdehyde-thiamine pyrophosphate;succinate-semialdehyde-thiamin pyrophosphate;succinate-semialdehyde-thiamin PPi;] C16H25N4O10P2S1 527.076662 NA metacyc NA NA +C05381 3-Carboxy-1-hydroxypropyl-ThPP C16H25N4O10P2S 527.0767 NA KEGG NA NA +PJ003895 PCCCC C17H29N5O6S4 527.1001 NA PeJP NA NA +PJ003896 GCCDM C17H29N5O8S3 527.1179 NA PeJP NA NA +MJ077482 Antibiotic TMC 66 C29H21NO9 527.121631 NA MeJP NA NA +PJ003897 SSCCE C17H29N5O10S2 527.1356 NA PeJP NA NA +MJ077483 Oxyphenisatin; O,O-Bis(3-pyridinecarbonyl) C32H21N3O5 527.14812 NA MeJP NA NA +PJ003898 GSCMM C18H33N5O7S3 527.1542 NA PeJP NA NA +MJ077484 Lumefantrine C30H32Cl3NO 527.154947 NA MeJP NA NA +MJ077485 Beperidium(1+), Iodide C23H34IN3O3 527.164485 NA MeJP NA NA +PJ003899 CNEY C21H29N5O9S 527.1686 NA PeJP NA NA +PJ003900 SSTCM C18H33N5O9S2 527.172 NA PeJP NA NA +C01907 Daunorubicin C27H29NO10 527.1791 NA KEGG NA NA +MJ077486 Adriamycin; 11-Deoxy C27H29NO10 527.179146 NA MeJP NA NA +MJ077487 Adriamycin; 4'-Deoxy C27H29NO10 527.179146 NA MeJP NA NA +MJ077488 Antibiotic D 788-3 C27H29NO10 527.179146 NA MeJP NA NA +MJ077489 Daunomycin C27H29NO10 527.179146 NA MeJP NA NA +MJ077490 Feudomycin B; 4-O-De-Me C27H29NO10 527.179146 NA MeJP NA NA +MJ077491 Pirozadil C27H29NO10 527.179146 NA MeJP NA NA +PJ003901 GPCDH C20H29N7O8S 527.1799 NA PeJP NA NA +PJ003902 GCYW C25H29N5O6S 527.1839 NA PeJP NA NA +MJ077492 Dapiramicin B C21H29N5O11 527.186356 NA MeJP NA NA +PJ003903 GSSDY C21H29N5O11 527.1864 NA PeJP NA NA +PJ003904 CQMF C22H33N5O6S2 527.1872 NA PeJP NA NA +MJ077493 Aristoloterpenate I; 8-Demethoxy C31H29NO7 527.194402 NA MeJP NA NA +MJ077494 Aristophyllide A; 5',12'-Diepimer, demethoxy C31H29NO7 527.194402 NA MeJP NA NA +MJ077495 Aristophyllide A; Demethoxy C31H29NO7 527.194402 NA MeJP NA NA +PJ003905 NEEH C20H29N7O10 527.1976 NA PeJP NA NA +PJ003906 CCFR C21H33N7O5S2 527.1985 NA PeJP NA NA +PJ003907 SQMY C22H33N5O8S 527.205 NA PeJP NA NA +PJ003908 GSNNH C19H29N9O9 527.2088 NA PeJP NA NA +PJ003909 GGGSNH C19H29N9O9 527.2089 NA PeJP NA NA +MJ077496 Gliquidone C27H33N3O6S 527.209006 NA MeJP NA NA +PJ003910 GEHW C24H29N7O7 527.2129 NA PeJP NA NA +MJ077497 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1-benzoyl C28H33NO9 527.215531 NA MeJP NA NA +MJ077498 Alldimycin B; 4-Deoxy, 10-O-deglycosyl C28H33NO9 527.215531 NA MeJP NA NA +MJ077499 Alldimycin B; 4-Deoxy, 7-O-deglycosyl C28H33NO9 527.215531 NA MeJP NA NA +MJ077500 Antibiotic K 502; Antibiotic K 502A C28H33NO9 527.215531 NA MeJP NA NA +MJ077501 Antibiotic K 502; Antibiotic K 502B C28H33NO9 527.215531 NA MeJP NA NA +MJ077502 Iremycin C28H33NO9 527.215531 NA MeJP NA NA +MJ077503 Rhodomycin B; 12-Deoxy C28H33NO9 527.215531 NA MeJP NA NA +PJ003911 SCRY C21H33N7O7S 527.2162 NA PeJP NA NA +PJ003912 GSTTY C22H33N5O10 527.2228 NA PeJP NA NA +PJ003913 CKMF C23H37N5O5S2 527.2236 NA PeJP NA NA +MJ077504 Malformin; Malformin B5 C23H37N5O5S2 527.22361 NA MeJP NA NA +MJ077505 Rolitetracycline C27H33N3O8 527.226765 NA MeJP NA NA +PJ003914 HWW C28H29N7O4 527.2281 NA PeJP NA NA +MJ077506 Celesticetin; ar-Deoxy, ar-amino C24H37N3O8S 527.230135 NA MeJP NA NA +C01688 Destomysin C20H37N3O13 527.2326 NA KEGG NA NA +C01689 Detergents C20H37N3O13 527.2326 NA KEGG NA NA +C01925 Hygromycin B C20H37N3O13 527.2326 NA KEGG NA NA +MJ077507 Antibiotic A 9594 C20H37N3O13 527.232638 NA MeJP NA NA +MJ077508 Antibiotic RH 5012C C20H37N3O13 527.232638 NA MeJP NA NA +MJ077509 Destomycin A C20H37N3O13 527.232638 NA MeJP NA NA +MJ077510 Hygromycin B C20H37N3O13 527.232638 NA MeJP NA NA +MetaCyc03781 hygromycin-B [antibiotic A-396-II;] C20H37N3O13 527.232638 31282-04-9 metacyc NA NA +PJ003915 DKEH C21H33N7O9 527.234 NA PeJP NA NA +PJ003916 PPEW C26H33N5O7 527.238 NA PeJP NA NA +MJ077511 4-(1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl)-?-[(5-quinolinyloxy)methyl]-1-piperazineethanol C32H31F2N3O2 527.238433 NA MeJP NA NA +PJ003917 SKMY C23H37N5O7S 527.2414 NA PeJP NA NA +PJ003918 SEHR C20H33N9O8 527.2452 NA PeJP NA NA +PJ003919 SVHW C25H33N7O6 527.2493 NA PeJP NA NA +PJ003920 LQMH C22H37N7O6S 527.2526 NA PeJP NA NA +PJ003921 SPPVE C23H37N5O9 527.2592 NA PeJP NA NA +MJ077512 Ostreogrycin G C28H37N3O7 527.26315 NA MeJP NA NA +PJ003922 CLHR C21H37N9O5S 527.2639 NA PeJP NA NA +PJ003923 GTTLH C22H37N7O8 527.2704 NA PeJP NA NA +PJ003924 AKFY C27H37N5O6 527.2744 NA PeJP NA NA +PJ003925 APPLM C24H41N5O6S 527.2778 NA PeJP NA NA +MJ077513 Erysodinophorine C32H38N3O4(+) 527.278406 NA MeJP NA NA +MJ077514 Erysophorine C32H38N3O4(+) 527.278406 NA MeJP NA NA +PJ003926 PQQR C21H37N9O7 527.2816 NA PeJP NA NA +PJ003927 PKHF C26H37N7O5 527.2856 NA PeJP NA NA +MJ077515 Aconosine; O14-(4-Methoxybenzoyl), 13-hydroxy C30H41NO7 527.288302 NA MeJP NA NA +MJ077516 Corallopyronin A C30H41NO7 527.288302 NA MeJP NA NA +MJ077517 Corallopyronin C C30H41NO7 527.288302 NA MeJP NA NA +MJ077518 Dihydrogadesine; O14-Benzoyl C30H41NO7 527.288302 NA MeJP NA NA +MJ077519 Pentagyline C30H41NO7 527.288302 NA MeJP NA NA +PJ003928 LKMH C23H41N7O5S 527.289 NA PeJP NA NA +PJ003929 GPLLE C24H41N5O8 527.2955 NA PeJP NA NA +EUR715 LysoPE(20:2) [M+Na]+ C25H48NO7P 527.298788 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR870 Lyso PE 20:2 [M+Na]+ C25H48NO7P 527.298788 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR715 LysoPE(20:2) [M+Na]+ C25H48NO7P 527.298788 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR870 Lyso PE 20:2 [M+Na]+ C25H48NO7P 527.298788 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR715 LysoPE(20:2) [M+Na]+ C25H48NO7P 527.298788 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR870 Lyso PE 20:2 [M+Na]+ C25H48NO7P 527.298788 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR715 LysoPE(20:2) [M+Na]+ C25H48NO7P 527.298788 masses lipides attendues Inhousejuil11 NA NA +EUR870 Lyso PE 20:2 [M+Na]+ C25H48NO7P 527.298788 masses lipides attendues Inhousejuil11 NA NA +EUR766 Lyso PC 20:5 [M-H-CH3]- C28H48NO7P 527.301192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR909 Lyso PE 22:5 monoisotopic mass C27H46NO7P 527.301192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR766 Lyso PC 20:5 [M-H-CH3]- C28H48NO7P 527.301192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR909 Lyso PE 22:5 monoisotopic mass C27H46NO7P 527.301192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR766 Lyso PC 20:5 [M-H-CH3]- C28H48NO7P 527.301192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR909 Lyso PE 22:5 monoisotopic mass C27H46NO7P 527.301192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR766 Lyso PC 20:5 [M-H-CH3]- C28H48NO7P 527.301192 masses lipides attendues Inhousejuil11 NA NA +EUR909 Lyso PE 22:5 monoisotopic mass C27H46NO7P 527.301192 masses lipides attendues Inhousejuil11 NA NA +HMDB11494 LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z)) C27H46NO7P 527.301208 NA HMDB2010 NA NA +HMDB11495 LysoPE(0:0/22:5(7Z,10Z,13Z,16Z,19Z)) C27H46NO7P 527.301208 NA HMDB2010 NA NA +HMDB11524 LysoPE(22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C27H46NO7P 527.301208 NA HMDB2010 NA NA +HMDB11525 LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C27H46NO7P 527.301208 NA HMDB2010 NA NA +PJ003930 GPVQK C23H41N7O7 527.3068 NA PeJP NA NA +PJ003931 PLLW C28H41N5O5 527.3108 NA PeJP NA NA +PJ003932 PQKR C22H41N9O6 527.318 NA PeJP NA NA +EUR702 Lyso PE (18:0) [M+FA-H]- C23H48NO7P 527.321722 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR737 Lyso PC 15:0 [M+FA-H]- C23H48NO7P 527.321722 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR837 Lyso PE 18:0 [M+FA-H]- C23H48NO7P 527.321722 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR702 Lyso PE (18:0) [M+FA-H]- C23H48NO7P 527.321722 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR737 Lyso PC 15:0 [M+FA-H]- C23H48NO7P 527.321722 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR837 Lyso PE 18:0 [M+FA-H]- C23H48NO7P 527.321722 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR702 Lyso PE (18:0) [M+FA-H]- C23H48NO7P 527.321722 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR737 Lyso PC 15:0 [M+FA-H]- C23H48NO7P 527.321722 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR837 Lyso PE 18:0 [M+FA-H]- C23H48NO7P 527.321722 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR702 Lyso PE (18:0) [M+FA-H]- C23H48NO7P 527.321722 masses lipides attendues Inhousejuil11 NA NA +EUR737 Lyso PC 15:0 [M+FA-H]- C23H48NO7P 527.321722 masses lipides attendues Inhousejuil11 NA NA +EUR837 Lyso PE 18:0 [M+FA-H]- C23H48NO7P 527.321722 masses lipides attendues Inhousejuil11 NA NA +EUR678 Lyso PC 14:0 [M-H+acetate]- C22H46NO7P 527.322292 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR678 Lyso PC 14:0 [M-H+acetate]- C22H46NO7P 527.322292 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR678 Lyso PC 14:0 [M-H+acetate]- C22H46NO7P 527.322292 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR678 Lyso PC 14:0 [M-H+acetate]- C22H46NO7P 527.322292 masses lipides attendues Inhousejuil11 NA NA +PJ003933 SPVLL C25H45N5O7 527.3319 NA PeJP NA NA +3621 NA RKPK 527.341 ACE inhibitor Inhouse_peptide NA peptide +PJ003934 GPVKK C24H45N7O6 527.3432 NA PeJP NA NA +C15755 Dihydropicromycin C28H49NO8 527.3458 NA KEGG NA NA +MJ077520 Kayamycin C28H49NO8 527.345817 NA MeJP NA NA +MJ077521 Picromycin; 10,11-Dihydro C28H49NO8 527.345817 NA MeJP NA NA +MJ077522 Proactinomycin; Proactinomycin B C28H49NO8 527.345817 NA MeJP NA NA +PJ003935 PKKR C23H45N9O5 527.3544 NA PeJP NA NA +MJ077523 Daphnezomine D C32H49NO5 527.361073 NA MeJP NA NA +MJ077524 Daphnimacropine; 16-Deoxy, 22-acetoxy C32H49NO5 527.361073 NA MeJP NA NA +MJ077525 Secodaphniphylline; 22S-Acetoxy C32H49NO5 527.361073 NA MeJP NA NA +PJ003936 GLLLL C26H49N5O6 527.3683 NA PeJP NA NA +MJ077526 2,3,5-Tribromo-6-(1,1-dibromopropyl)-4H-pyran-4-one C8H5Br5O2 527.620642 NA MeJP NA NA +HMDB01980 Vasopressin C46H65N13O12S2 527.7158815 MH2+ Inhouse_peptide NA peptide +MJ077527 2,3',4,5'-Tetrabromo-2',6-dihydroxydiphenyl ether; 2'-Me ether C13H8Br4O3 527.720694 NA MeJP NA NA +MJ077528 2,3',4,5'-Tetrabromo-2',6-dihydroxydiphenyl ether; 6-Me ether C13H8Br4O3 527.720694 NA MeJP NA NA +MJ077529 Dibromobis(1-phenyl-1,3-butanedionato-O,O')titanium(IV) C20H18Br2O4Ti 527.905131 NA MeJP NA NA +MJ077530 3,6,13-Tribromo-4,10:9,12-diepoxy-14-pentadecyn-7-ol; Ac C17H23Br3O4 527.914647 NA MeJP NA NA +MJ077531 6,8-Dibromo-2-(3-bromo-1,2-propadienyl)-5-ethyldecahydrofuro[3,2-b]oxonin-9-ol; Ac C17H23Br3O4 527.914647 NA MeJP NA NA +MJ077532 Dysideapyrrolidone C17H22Cl6N2O4 527.971073 NA MeJP NA NA +C08428 (N-Sulfoindol-3-yl)methylglucosinolate C16H20N2O12S3 528.0178 NA KEGG NA NA +MJ077533 Naph3-Indolylmethyl glucosinolate; N-Sulfonic acid C44 528.0178362 NA MeJP NA NA +C06620 dTDP-3,4-dioxo-2,6-dideoxy-D-glucose C16H22N2O14P2 528.0546 NA KEGG NA NA +C11930 dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose C16H22N2O14P2 528.0546 NA KEGG NA NA +C11931 dTDP-2,6-dideoxy-L-glycero-hex-2-enos-4-ulose C16H22N2O14P2 528.0546 NA KEGG NA NA +C17139 dTDP-3,4-dioxo-2,6-dideoxy-L-glucose C16H22N2O14P2 528.0546 NA KEGG NA NA +MJ077534 dTDP-3,4-dioxo-2,6-dideoxy-D-glucose C16H22N2O14P2 528.054626 NA MeJP NA NA +FL3FACCSS001 Orientin 7-O-sulfate C21H20O14S 528.05737 - knapsack NA NA +FL3FACCSS002 Isoorientin 7-O-sulfate C21H20O14S 528.05737 - knapsack NA NA +FL3FACGSS002 Luteolin 7-sulfate-3'-glucoside C21H20O14S 528.05737 33530-70-0 knapsack NA NA +FL3FACGSS003 Luteorin 7-(2''-sulfatoglucoside);Thalassiolin A;2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[(2-O-sulfo-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one C21H20O14S 528.05737 207683-70-3 knapsack NA NA +FL5FAAGLS001 Kaempferol 3-(3''-sulfatoglucoside) C21H20O14S 528.05737 85290-33-1 knapsack NA NA +FL5FAAGLS002 Kaempferol 3-beta-(6''-sulfatoglucoside) C21H20O14S 528.05737 85290-34-2 knapsack NA NA +FL5FACGSS004 Quercetin 3-rhamnoside-3'-sulfate;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-4H-1-benzopyran-4-one C21H20O14S 528.05737 618906-36-8 knapsack NA NA +MJ077535 3',4',5,7-Tetrahydroxyflavone; 3'-O-?-D-Glucopyranoside, 7-O-sulfate C21H20O14S 528.057376 NA MeJP NA NA +MJ077536 3',4',5,7-Tetrahydroxyflavone; 7-O-(2-O-Sulfo-?-D-glucopyranoside) C21H20O14S 528.057376 NA MeJP NA NA +MJ077537 3',4',5,7-Tetrahydroxyflavone; 7-O-(O-Sulfo-?-D-glucopyranoside) C21H20O14S 528.057376 NA MeJP NA NA +MJ077538 Astragalin; 3''-O-Sulfate C21H20O14S 528.057376 NA MeJP NA NA +MJ077539 Astragalin; 6''-O-Sulfate C21H20O14S 528.057376 NA MeJP NA NA +MJ077540 Isoorientin; 7-O-Sulfate C21H20O14S 528.057376 NA MeJP NA NA +MJ077541 Orientin; 7-O-Sulfate C21H20O14S 528.057376 NA MeJP NA NA +MJ077542 Quercitrin; 3'-O-Sulfate C21H20O14S 528.057376 NA MeJP NA NA +MJ077543 Quercitrin; O''-Sulfate C21H20O14S 528.057376 NA MeJP NA NA +MJ077544 Imcarbofos C17H30N4O7P2S2 528.103113 NA MeJP NA NA +MJ077545 Diphyllin; 3,4-Methylenedioxybenzoyl C29H20O10 528.105646 NA MeJP NA NA +MJ077546 Rubrosulphin C29H20O10 528.105646 NA MeJP NA NA +MJ077547 Bis[1-(3,4-dimethoxyphenyl)-1,3-butanedionato-O,O']difluorotitanium(IV) C24H26F2O8Ti 528.107521 NA MeJP NA NA +PJ003937 SCCCN C16H28N6O8S3 528.1131 NA PeJP NA NA +MJ077548 Sirodesmin A; 2a-Ac C22H28N2O9S2 528.123621 NA MeJP NA NA +MJ077549 Antibiotic A 80915A C26H31Cl3O5 528.123707 NA MeJP NA NA +MJ077550 Cefquinome C23H24N6O5S2 528.124959 NA MeJP NA NA +C10234 Mahuannin D C30H24O9 528.142 NA KEGG NA NA +MJ077551 Austrovenetin C30H24O9 528.142032 NA MeJP NA NA +MJ077552 Chrysoaphin sl C30H24O9 528.142032 NA MeJP NA NA +MJ077553 Cordigol C30H24O9 528.142032 NA MeJP NA NA +MJ077554 Cordigone C30H24O9 528.142032 NA MeJP NA NA +MJ077555 Daphnodorin B; 3-Deoxy, 2'',3''-dihydro C30H24O9 528.142032 NA MeJP NA NA +MJ077556 Gnetuhainin H C30H24O9 528.142032 NA MeJP NA NA +MJ077557 Hypocrellin C C30H24O9 528.142032 NA MeJP NA NA +MJ077558 Lophirone F C30H24O9 528.142032 NA MeJP NA NA +MJ077559 Mahuannin D C30H24O9 528.142032 NA MeJP NA NA +MJ077560 Mazatlanone; 1-Me ether C30H24O9 528.142032 NA MeJP NA NA +MJ077561 Shiraiachrome C C30H24O9 528.142032 NA MeJP NA NA +MJ077562 Guaiacylglycerol, 4'-O-(6-O-3,4,5-Trihydroxybenzoyl-?-D-glucopyranoside) C23H28O14 528.147905 NA MeJP NA NA +PJ003938 CDEY C21H28N4O10S 528.1526 NA PeJP NA NA +MJ077563 1,3,8,9-Tetrahydroxy-6-methylanthracene; 3-O-(2,3,4-Tri-O-acetyl-?-L-rhamnopyranoside) C27H28O11 528.163161 NA MeJP NA NA +C09973 Tremulacin C27H28O11 528.1632 NA KEGG NA NA +C11289 17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide) C24H32O11S 528.1665 NA KEGG NA NA +C15207 17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate C24H32O11S 528.1665 NA KEGG NA NA +HMDB10358 17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide) C24H32O11S 528.166504 NA HMDB2010 NA NA +PJ003939 CEMF C22H32N4O7S2 528.1713 NA PeJP NA NA +MJ077564 Lyalosidic acid; 10-Hydroxy C26H28N2O10 528.174395 NA MeJP NA NA +MJ077565 Cyathostemmine C31H28O8 528.178417 NA MeJP NA NA +MJ077566 Palodesangretin I C31H28O8 528.178417 NA MeJP NA NA +PJ003940 DEEH C20H28N6O11 528.1816 NA PeJP NA NA +MJ077567 Harpagide; 8-O-(3,4-Dimethoxybenzoyl) C24H32O13 528.184291 NA MeJP NA NA +C11647 Deoxyloganic acid tetraacetate C24H32O13 528.1843 NA KEGG NA NA +PJ003941 SEMY C22H32N4O9S 528.189 NA PeJP NA NA +PJ003942 GSNDH C19H28N8O10 528.1929 NA PeJP NA NA +MJ077568 Glaucin B C28H32O10 528.199547 NA MeJP NA NA +MJ077569 Italidipyrone C28H32O10 528.199547 NA MeJP NA NA +MJ077570 Physalin C; 7?-Hydroxy, 25?,27-dihydro C28H32O10 528.199547 NA MeJP NA NA +MJ077571 Physalin L C28H32O10 528.199547 NA MeJP NA NA +MJ077572 Physalin S C28H32O10 528.199547 NA MeJP NA NA +MJ077573 Rutaevin; O-Ac C28H32O10 528.199547 NA MeJP NA NA +PJ003943 PCFY C26H32N4O6S 528.2043 NA PeJP NA NA +PJ003944 CLMY C23H36N4O6S2 528.2076 NA PeJP NA NA +3817 NA SYYP 528.21 ACE inhibitor Inhouse_peptide NA peptide +MJ077574 Antibiotic UK 2; Antibiotic UK 2C C27H32N2O9 528.21078 NA MeJP NA NA +MJ077575 Antibiotic UK 2; Antibiotic UK 2D C27H32N2O9 528.21078 NA MeJP NA NA +MJ077576 Aplidite A; 12-Hydroxy C27H32N2O9 528.21078 NA MeJP NA NA +MJ077577 Aplidite A; Geom. isomer, 12-hydroxy C27H32N2O9 528.21078 NA MeJP NA NA +MJ077578 Correantoside; 10-Hydroxy C27H32N2O9 528.21078 NA MeJP NA NA +MJ077579 Lobatamide A; 24E-Isomer, 30-hydroxy C27H32N2O9 528.21078 NA MeJP NA NA +MJ077580 Lobatamide A; 26Z-Isomer, 30-hydroxy C27H32N2O9 528.21078 NA MeJP NA NA +MJ077581 Lobatamide A; 30-Hydroxy C27H32N2O9 528.21078 NA MeJP NA NA +MJ077582 Tetrahydrodeoxycordifoline lactam; 3?-form, 22-Deoxo C27H32N2O9 528.21078 NA MeJP NA NA +PJ003945 NQMH C20H32N8O7S 528.2115 NA PeJP NA NA +MJ077583 Celesticetin C24H36N2O9S 528.214151 NA MeJP NA NA +C09944 Karwinskione C32H32O7 528.2148 NA KEGG NA NA +MJ077584 Cinnabarone C32H32O7 528.214803 NA MeJP NA NA +MJ077585 Karwinskione C32H32O7 528.214803 NA MeJP NA NA +MJ077586 Socotrin-4'-ol; 2'-Methoxy, 4'-deoxy, 5'-hydroxy C32H32O7 528.214803 NA MeJP NA NA +MJ077587 Dexamethasone; 17-(2-Furancarbonyl), 21-Ac C29H33FO8 528.215946 NA MeJP NA NA +PJ003946 SPPND C21H32N6O10 528.218 NA PeJP NA NA +MJ077588 Abelioside B C25H36O12 528.220676 NA MeJP NA NA +MJ077589 Amareloside; 7?,8?-Epoxide C25H36O12 528.220676 NA MeJP NA NA +MJ077590 Ambiguuside C25H36O12 528.220676 NA MeJP NA NA +MJ077591 Gibberellin A4; 16,17-Dihydro, 16?,17-dihydroxy, 17-O-?-D-glucopyranoside C25H36O12 528.220676 NA MeJP NA NA +MJ077592 Kickxioside C25H36O12 528.220676 NA MeJP NA NA +MJ077593 Dutasteride C27H30F6N2O2 528.221147 NA MeJP NA NA +CJpos0816 Phenylacetylglutamine [(2M+H)]+ C26H33N4O8 528.221475 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0816 Phenylacetylglutamine [(2M+H)]+ C26H33N4O8 528.221475 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +PJ003947 SPYY C26H32N4O8 528.222 NA PeJP NA NA +CJneg0640 Phenylacetylglutamine [(2M-H)]- C26H31N4O8 528.222525 C18rt(min)=5.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0640 Phenylacetylglutamine [(2M-H)]- C26H31N4O8 528.222525 C18rt(min)=5.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +PJ003948 CNHR C19H32N10O6S 528.2227 NA PeJP NA NA +MJ077594 Feloprentan C31H32N2O6 528.226036 NA MeJP NA NA +PJ003949 GSTQH C20H32N8O9 528.2292 NA PeJP NA NA +PJ003950 GGGTTH C20H32N8O9 528.2293 NA PeJP NA NA +PJ003951 PEHF C25H32N6O7 528.2333 NA PeJP NA NA +MJ077595 14,17-Epoxy-5,6-dehydrocalotropin C29H36O9 528.235932 NA MeJP NA NA +MJ077596 3,14-Dihydroxy-19-oxobufa-5,7,20,22-tetraenolide, 3-Xyloside C29H36O9 528.235932 NA MeJP NA NA +MJ077597 5,20-Epoxy-1,2,4,7,10-pentahydroxy-11-taxen-9-one, 2-Benzoyl, 4-Ac C29H36O9 528.235932 NA MeJP NA NA +MJ077598 8,13-Epoxy-3,4,6,11-tetrahydroxy-15,16-clerodanolide, 3-Ketone, 6-benzoyl, 11-Ac C29H36O9 528.235932 NA MeJP NA NA +MJ077599 Angolensic acid; 6-Acetoxy, Me ester C29H36O9 528.235932 NA MeJP NA NA +MJ077600 Arisugacin E; 1?,12a-Dihydroxy, 3-Ac C29H36O9 528.235932 NA MeJP NA NA +MJ077601 Elaeodendroside O C29H36O9 528.235932 NA MeJP NA NA +MJ077602 Gomphoside; 19-Oxo, 5,6-didehydro, 3'-ketone C29H36O9 528.235932 NA MeJP NA NA +MJ077603 Javanicin S; 2-Me ether C29H36O9 528.235932 NA MeJP NA NA +MJ077604 Microphyllinic acid C29H36O9 528.235932 NA MeJP NA NA +MJ077605 Mytoxin B C29H36O9 528.235932 NA MeJP NA NA +MJ077606 Roridin J C29H36O9 528.235932 NA MeJP NA NA +MJ077607 Satratoxin H C29H36O9 528.235932 NA MeJP NA NA +MJ077608 Secomahoganin C29H36O9 528.235932 NA MeJP NA NA +MJ077609 Swietenolide; 3-Ac C29H36O9 528.235932 NA MeJP NA NA +MJ077610 Swietenolide; 6-Ac C29H36O9 528.235932 NA MeJP NA NA +MJ077611 Xylocarpin C29H36O9 528.235932 NA MeJP NA NA +PJ003952 LEMH C22H36N6O7S 528.2366 NA PeJP NA NA +PJ003953 GGAPPM C22H36N6O7S 528.2367 NA PeJP NA NA +PJ003954 CLFF C27H36N4O5S 528.2407 NA PeJP NA NA +21 Hemoglobin YTVF 528.247 celiac toxic Inhouse_peptide NA peptide +PJ003955 GPPCR C21H36N8O6S 528.2479 NA PeJP NA NA +MJ077612 Morellin; Deoxy C33H36O6 528.251188 NA MeJP NA NA +MJ077613 Nimbocinol; 14?,15?-Epoxide, 7-O-benzoyl C33H36O6 528.251188 NA MeJP NA NA +PJ003956 GPVQE C22H36N6O9 528.2544 NA PeJP NA NA +PJ003957 VHHH C23H32N10O5 528.2557 NA PeJP NA NA +8117 peptide derived from sardinelle by-products proteins (Sardinella aurita) PHYL 528.257 anticancer Inhouse_peptide NA peptide +MJ077614 11,15,16,17-Tetrahydroxy-19-kauranoic acid, 15-Ketone, ?-D-glucopyranosyl ester C26H40O11 528.257062 NA MeJP NA NA +MJ077615 2,6,18,19-Tetrahydroxy-8,13-labdadien-15,16-olide, 19-O-?-D-Glucopyranoside C26H40O11 528.257062 NA MeJP NA NA +MJ077616 7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 1-O-?-D-Glucopyranoside C26H40O11 528.257062 NA MeJP NA NA +MJ077617 7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 11-O-?-D-Glucopyranoside C26H40O11 528.257062 NA MeJP NA NA +MJ077618 7,20-Epoxy-16-kaurene-1,6,7,14,15-pentol, 1-O-?-D-Glucopyranoside C26H40O11 528.257062 NA MeJP NA NA +MJ077619 7,20-Epoxy-16-kaurene-3,6,7,15,19-pentol, 19-O-?-D-Glucopyranoside C26H40O11 528.257062 NA MeJP NA NA +MJ077620 Coccinin C26H40O11 528.257062 NA MeJP NA NA +MJ077621 Digipenstroside C26H40O11 528.257062 NA MeJP NA NA +8236 Antioxidative peptide WNIP 528.2579 NA ;SYN:(2S,3S)-2-Amino-3-methylpentanoate; (2S,3S)-2-Amino-3-methylpentanoic acid; (2S,3S)-2-amino-3-methyl-Pentanoate; (2S,3S)-2-amino-3-methyl-Pentanoic acid; (2S,3S)-a-Amino-b-methyl-n-valerate; (2S,3S)-a-Amino-b-methyl-n-valeric acid; (2S,3S)-a-Amino-b-methylvalerate; (2S,3S)-a-Amino-b-methylvaleric acid; (2S,3S)-alph-Amino-beta-methylvalerate; (2S,3S)-alph-Amino-beta-methylvaleric acid; (2S,3S)-alpha-Amino-beta-merthyl-n-valerate; (2S,3S)-alpha-Amino-beta-merthyl-n-valeric acid; (2S,3S)-alpha-Amino-beta-merthylvalerate; (2S,3S)-alpha-Amino-beta-merthylvaleric acid; (2S,3S)-alpha-Amino-beta-methyl-n-valerate; (2S,3S)-alpha-Amino-beta-methyl-n-valeric acid; (2S,3S)-alpha-Amino-beta-methylvalerate; (2S,3S)-alpha-Amino-beta-methylvaleric acid; (S)-Isoleucine; (S,S)-Isoleucine; 2-Amino-3-methylpentanoate; 2-Amino-3-methylpentanoic acid; 2-Amino-3-methylvalerate; 2-Amino-3-methylvaleric acid; 2S,3S-Isoleucine; Ile; Isoleucine; L-(+)-Isoleucine; L-Ile; [S-(R*,R*)]-2-Amino-3-methylpentanoate; [S-(R*,R*)]-2-Amino-3-methylpentanoic acid; erythro-L-Isoleucine; iso-leucineH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +PJ003958 ALYY C27H36N4O7 528.2584 NA PeJP NA NA +MJ077622 Chaetoglobosin A C32H36N2O5 528.262422 NA MeJP NA NA +MJ077623 Chaetoglobosin B C32H36N2O5 528.262422 NA MeJP NA NA +MJ077624 Chaetoglobosin D C32H36N2O5 528.262422 NA MeJP NA NA +PJ003959 PQER C21H36N8O8 528.2656 NA PeJP NA NA +PJ003960 GGGGGPK C21H36N8O8 528.2657 NA PeJP NA NA +PJ003961 PVQW C26H36N6O6 528.2697 NA PeJP NA NA +C09198 Terpenoid EA-I C30H40O8 528.2723 NA KEGG NA NA +MJ077625 1,2,9-Trihydroxydihydro-?-agarofuran, 9-(2,3-Epoxycinnamoyl), 2-butanoyl, 1-Ac C30H40O8 528.272318 NA MeJP NA NA +MJ077626 12-Hydroxyvilasinin; 3,12-Di-Ac C30H40O8 528.272318 NA MeJP NA NA +MJ077627 2,3-Dihydroxy-12,17-dioxo-7,13-labdadien-15-oic acid, 2,3-Diangeloyl C30H40O8 528.272318 NA MeJP NA NA +MJ077628 3,21-Dihydroxycarda-8,14,16,20(22)-tetraenolide, 3-O-(6-Deoxy-3-O-methyl-?-D-galactopyranoside) C30H40O8 528.272318 NA MeJP NA NA +MJ077629 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-(2Z,4E-Octadienoyl), 13-Ac C30H40O8 528.272318 NA MeJP NA NA +MJ077630 5,6-Epoxy-4,7,20-trihydroxy-1-oxowitha-2,24-dienolide, 7-Ac C30H40O8 528.272318 NA MeJP NA NA +MJ077631 5,6:18,20-Diepoxy-4,18-dihydroxy-1-oxowith-2-enolide, 4-Ac C30H40O8 528.272318 NA MeJP NA NA +MJ077632 7,12-Dihydroxy-3,11,15,23-tetraoxolanosta-8,20(22)-dien-26-oic acid C30H40O8 528.272318 NA MeJP NA NA +MJ077633 7,12-Dihydroxymeliac-1-ene-3,15-dione, 1,2-Dihydro, 11?-acetoxy, 7-Ac C30H40O8 528.272318 NA MeJP NA NA +MJ077634 7,20-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid, 7-Ketone C30H40O8 528.272318 NA MeJP NA NA +MJ077635 7,8-Epoxy-3,20-dihydroxy-12,15,23-trioxo-9(11),16-lanostadien-26-oic acid C30H40O8 528.272318 NA MeJP NA NA +MJ077636 Ardisiaquinone A C30H40O8 528.272318 NA MeJP NA NA +MJ077637 Ardisiaquinone B C30H40O8 528.272318 NA MeJP NA NA +MJ077638 Artebarrolide C30H40O8 528.272318 NA MeJP NA NA +MJ077639 Artenolide C30H40O8 528.272318 NA MeJP NA NA +MJ077640 Citreohybridone D C30H40O8 528.272318 NA MeJP NA NA +MJ077641 Gnidilatin; De(benzoyloxy), 22,23,24,25-tetradehydro C30H40O8 528.272318 NA MeJP NA NA +MJ077642 Havanensin; 16-Oxo, 1,3-di-Ac C30H40O8 528.272318 NA MeJP NA NA +MJ077643 Iochromolide; 27-Hydroxy C30H40O8 528.272318 NA MeJP NA NA +MJ077644 Matairesinol, 4-O-(6,7-Dihydroxy-3,7-dimethyl-2-octenyl) C30H40O8 528.272318 NA MeJP NA NA +MJ077645 Physapubenolide C30H40O8 528.272318 NA MeJP NA NA +MJ077646 Prasinic acid; 2''-Oxo, 2'-Me ether C30H40O8 528.272318 NA MeJP NA NA +MJ077647 Withacnistin; 16?-Hydroxy C30H40O8 528.272318 NA MeJP NA NA +MJ077648 Withacnistin; 27-Hydroxy C30H40O8 528.272318 NA MeJP NA NA +MJ077649 Withajardin A; 4-Ac C30H40O8 528.272318 NA MeJP NA NA +MJ077650 Withaminimin C30H40O8 528.272318 NA MeJP NA NA +MJ077651 Withanolide D; 18-Acetoxy C30H40O8 528.272318 NA MeJP NA NA +PJ003962 GPPKM C23H40N6O6S 528.273 NA PeJP NA NA +PJ003963 APRW C25H36N8O5 528.2809 NA PeJP NA NA +MJ077652 Lappaconidine; 4-O-(2-Aminobenzoyl) C29H40N2O7 528.283551 NA MeJP NA NA +PJ003964 GPVKE C23H40N6O8 528.2908 NA PeJP NA NA +MJ077653 Chlamydocin; Deepoxy, 7'R-hydroxy C28H40N4O6 528.294785 NA MeJP NA NA +PJ003965 PKER C22H40N8O7 528.302 NA PeJP NA NA +PJ003966 PVKW C27H40N6O5 528.306 NA PeJP NA NA +MJ077654 8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 11,12-Ditigloyl C31H44O7 528.308703 NA MeJP NA NA +MJ077655 Cucurbitacin T C31H44O7 528.308703 NA MeJP NA NA +MJ077656 Isogosterone A; 22?-Acetoxy C31H44O7 528.308703 NA MeJP NA NA +MJ077657 Milbemycin ?1 C31H44O7 528.308703 NA MeJP NA NA +MJ077658 Prasinic acid; Di-Me ether C31H44O7 528.308703 NA MeJP NA NA +MJ077659 Pseudophrynamine A; 1''-Hydroxy C32H40N4O3 528.310041 NA MeJP NA NA +MJ077660 Ergosta-7,22-diene-3,5,6,9-tetrol, 22,23-Dihydro, 6-Osulfate C28H48O7S 528.312074 NA MeJP NA NA +PJ003967 PTRR C21H40N10O6 528.3133 NA PeJP NA NA +MJ077661 Hennoxazole A; O2-De-Me, O2-Et C30H44N2O6 528.319937 NA MeJP NA NA +FL1CA9NR0003 Neolinderachalcone C35H44O4 528.32395 120217-40-5 knapsack NA NA +FL2FA9NR0002 Neolinderatone C35H44O4 528.32395 123297-92-7 knapsack NA NA +MJ077662 Homoferruginin B C35H44O4 528.323959 NA MeJP NA NA +MJ077663 Neolinderatin, 2,3-Didehydro C35H44O4 528.323959 NA MeJP NA NA +MJ077664 Neolinderatone C35H44O4 528.323959 NA MeJP NA NA +MJ077665 Sampsonione H C35H44O4 528.323959 NA MeJP NA NA +PJ003968 APTLK C24H44N6O7 528.3272 NA PeJP NA NA +MJ077666 24-Hydroxymethylcholest-22-ene-3,4,5,6,8,14,15,25-octol C28H48O9 528.329833 NA MeJP NA NA +MJ077667 24-Methylcholest-22-ene-3,4,5,6,8,14,15,25,26-nonol C28H48O9 528.329833 NA MeJP NA NA +PJ003969 LLQR C23H44N8O6 528.3384 NA PeJP NA NA +MJ077668 12,24-Dihydroxy-20,24-dimethyl-15,17-scalaradien-25,24-olide, 12-(3-Hydroxypentanoyl) C32H48O6 528.345089 NA MeJP NA NA +MJ077669 14,15-Dihydro-26,29-dihydroxyspiroirida-15(28),16-dienal; 29-Ac C32H48O6 528.345089 NA MeJP NA NA +MJ077670 16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 25-Ac C32H48O6 528.345089 NA MeJP NA NA +MJ077671 2,3,23-Trihydroxy-12,19(29)-ursadien-28-oic acid, 23-Ac C32H48O6 528.345089 NA MeJP NA NA +MJ077672 23-Hydroxy-2,3-seco-12-ursene-2,3,28-trioic acid; 2?23 Lactone, di-Me ester C32H48O6 528.345089 NA MeJP NA NA +MJ077673 3,15,21,30-Tetrahydroxy-12-oleanen-28-oic acid, 28?15 Lactone, 21-Ac C32H48O6 528.345089 NA MeJP NA NA +MJ077674 3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, 22-Ac C32H48O6 528.345089 NA MeJP NA NA +MJ077675 3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, 3-Ac C32H48O6 528.345089 NA MeJP NA NA +MJ077676 3,25-Epoxy-12-ursene-3,21,22,28-tetrol, 28-Aldehyde, 21-Ac C32H48O6 528.345089 NA MeJP NA NA +MJ077677 3,7,15-Trihydroxylanosta-8,24-dien-26-oic acid, 3-Ketone, 15-Ac C32H48O6 528.345089 NA MeJP NA NA +MJ077678 3-Hydroxy-12-oleanene-23,28-dioic acid, 3-Ac C32H48O6 528.345089 NA MeJP NA NA +MJ077679 3-Hydroxy-12-oleanene-28,29-dioic acid, 3-Ac C32H48O6 528.345089 NA MeJP NA NA +MJ077680 3-Hydroxy-12-oleanene-28,29-dioic acid; 3?-form, 3-Ac C32H48O6 528.345089 NA MeJP NA NA +MJ077681 3-Hydroxy-12-ursene-27,28-dioic acid, Ac C32H48O6 528.345089 NA MeJP NA NA +MJ077682 5,6-Epoxy-3,11-dihydroxyergost-22-en-1-one, Di-Ac C32H48O6 528.345089 NA MeJP NA NA +MJ077683 5-Methyl-2-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,4-benzoquinone; Hydroquinone, 4-O-?-D-arabinopyranoside C32H48O6 528.345089 NA MeJP NA NA +MJ077684 Acerinol; 25-Ac C32H48O6 528.345089 NA MeJP NA NA +MJ077685 Acteol; 26-Deoxy, 12-Ac C32H48O6 528.345089 NA MeJP NA NA +MJ077686 Alisol B; 16-Oxo, 23-Ac C32H48O6 528.345089 NA MeJP NA NA +MJ077687 Belamcandal C32H48O6 528.345089 NA MeJP NA NA +MJ077688 Lantic acid; 22?-Acetoxy C32H48O6 528.345089 NA MeJP NA NA +MJ077689 Milbemycin ?2; 28-Deoxy, 5-O-de-Me C32H48O6 528.345089 NA MeJP NA NA +MJ077690 Naheedin C32H48O6 528.345089 NA MeJP NA NA +MJ077691 Poricoic acid D; 3-Me ester C32H48O6 528.345089 NA MeJP NA NA +MJ077692 Sapelin C; 7-O-Ac C32H48O6 528.345089 NA MeJP NA NA +MJ077693 Scapaundulin A C32H48O6 528.345089 NA MeJP NA NA +MJ077694 Toosendantriol; 3-Ketone, 21-Ac C32H48O6 528.345089 NA MeJP NA NA +PJ003970 VVRR C22H44N10O5 528.3496 NA PeJP NA NA +3548 NA IKVAV 528.351 ACE inhibitor Inhouse_peptide NA peptide +PJ003971 GVLLK C25H48N6O6 528.3636 NA PeJP NA NA +PJ003972 LLKR C24H48N8O5 528.3748 NA PeJP NA NA +C15943 Isorenieratene C40H48 528.3756 NA KEGG NA NA +C15944 Mas7 C40H48 528.3756 NA KEGG NA NA +C15945 Mas8 C40H48 528.3756 NA KEGG NA NA +C15946 Mas17 C40H48 528.3756 NA KEGG NA NA +C15947 Mastoparan C40H48 528.3756 NA KEGG NA NA +C15948 Myomodulin C40H48 528.3756 NA KEGG NA NA +C15949 Neuropeptide Y C40H48 528.3756 NA KEGG NA NA +MJ077695 3,3',4,4',7,7',8,8'-Octadehydro-?,?-carotene C40H48 528.375601 NA MeJP NA NA +MJ077696 Leprotene C40H48 528.375601 NA MeJP NA NA +MJ077697 Renierapurpurin C40H48 528.375601 NA MeJP NA NA +MJ077698 Renieratene C40H48 528.375601 NA MeJP NA NA +MJ077699 1,3-Dihydroxy-24-methylenecycloartan-28-oic acid, 1-Ac C33H52O5 528.381474 NA MeJP NA NA +MJ077700 17,20-Epoxy-23-methylergost-5-ene-3,22-diol, Di-Ac C33H52O5 528.381474 NA MeJP NA NA +MJ077701 2,3,19-Trihydroxy-12-ursen-28-oic acid, 2,3-O-Isopropylidene C33H52O5 528.381474 NA MeJP NA NA +MJ077702 3,15-Dihydroxy-24-methylenelanost-8-en-21-oic acid, 15-Ac C33H52O5 528.381474 NA MeJP NA NA +MJ077703 3,16-Dihydroxy-24-methylenelanost-8-en-21-oic acid, 3-Ac C33H52O5 528.381474 NA MeJP NA NA +MJ077704 3,16-Dihydroxy-24-methyllanosta-8,25-dien-21-oic acid, 3-Ac C33H52O5 528.381474 NA MeJP NA NA +MJ077705 3,27-Dihydroxy-20(29)-lupen-28-oic acid; 3?-form, 3-Ac, Me ester C33H52O5 528.381474 NA MeJP NA NA +MJ077706 Polyporenic acid A; 3-Ac C33H52O5 528.381474 NA MeJP NA NA +MJ077707 Saptarangiquinone A C33H52O5 528.381474 NA MeJP NA NA +C17044 Pachymic acid C33H52O5 528.3815 NA KEGG NA NA +MJ077708 Incarvine A C32H52N2O4 528.392708 NA MeJP NA NA +MJ077709 Hopromalinol C31H52N4O3 528.403941 NA MeJP NA NA +MJ077710 2-Alkyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 5,7-Dihydroxy-6,8-dimethyl-2-tricosyl-4H-1-benzopyran-4-one C34H56O4 528.41786 NA MeJP NA NA +MJ077711 24-Ethylidenelanost-8-ene-3,22,23-triol, 22-Ac C34H56O4 528.41786 NA MeJP NA NA +MJ077712 3,21-Friedelanediol, Di-Ac C34H56O4 528.41786 NA MeJP NA NA +MJ077713 3,22-Stictanediol, Di-Ac C34H56O4 528.41786 NA MeJP NA NA +MJ077714 3,29-Friedelanediol, Di-Ac C34H56O4 528.41786 NA MeJP NA NA +MJ077715 Buxidienine I; 16-Deoxy, N3,N20,N20-tri-Me, N3-(2R-hydroxy-3?-methylpentanoyl) C33H56N2O3 528.429093 NA MeJP NA NA +MJ077716 20,24-Epoxy-25-ethyl-24-methyldammaran-3-ol, Ac C35H60O3 528.454245 NA MeJP NA NA +MJ077717 3-(4-Hydroxyphenyl)-2-propenoic acid, Hexacosyl ester C35H60O3 528.454245 NA MeJP NA NA +MJ077718 Dysidenin; 13-Demethyl C16H21Cl6N3O2S 528.948563 NA MeJP NA NA +MJ077719 Dysidenin; N6-De-Me C16H21Cl6N3O2S 528.948563 NA MeJP NA NA +MJ077720 Dragmacidin D C25H21BrN7O2(+) 529.086185 NA MeJP NA NA +C12318 dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-ulose C16H25N3O13P2 529.0863 NA KEGG NA NA +C17093 dTDP-3-amino-4,6-deoxy-3,4-dehydroglucose C16H25N3O13P2 529.0863 NA KEGG NA NA +PJ003973 SCCCD C16H27N5O9S3 529.0971 NA PeJP NA NA +MJ077721 Diphyllin; 4-Nitrobenzoyl C28H19NO10 529.100895 NA MeJP NA NA +PJ003974 ACCCM C17H31N5O6S4 529.1157 NA PeJP NA NA +PJ003975 SSCCM C17H31N5O8S3 529.1335 NA PeJP NA NA +MJ077722 Cervinomycin A1 C29H23NO9 529.137281 NA MeJP NA NA +MJ077723 Lamellarin H; 7-Hydroxy, 8,9,12,21-tetra-Me ether C29H23NO9 529.137281 NA MeJP NA NA +MJ077724 Lamellarin H; 7-Hydroxy, 8,9,13,21-tetra-Me ether C29H23NO9 529.137281 NA MeJP NA NA +MJ077725 Antibiotic D 788-10 C26H27NO11 529.15841 NA MeJP NA NA +PJ003976 CNMY C21H31N5O7S2 529.1665 NA PeJP NA NA +MJ077726 Acrimarine A; 3-Me ether, N,O6-di-de-Me C30H27NO8 529.173666 NA MeJP NA NA +MJ077727 Acrimarine A; O6-De-Me C30H27NO8 529.173666 NA MeJP NA NA +MJ077728 Acrimarine C C30H27NO8 529.173666 NA MeJP NA NA +MJ077729 Acrimarine J C30H27NO8 529.173666 NA MeJP NA NA +MJ077730 Lamellarin H; 5,6-Dihydro, 8,9,12,13,21-penta-Me ether C30H27NO8 529.173666 NA MeJP NA NA +PJ003977 GSDDH C19H27N7O11 529.1769 NA PeJP NA NA +PJ003978 APCCH C20H31N7O6S2 529.1777 NA PeJP NA NA +PJ003979 GSTCY C21H31N5O9S 529.1843 NA PeJP NA NA +MJ077731 Duborimycin C27H31NO10 529.194796 NA MeJP NA NA +MJ077732 Leucodaunomycin C27H31NO10 529.194796 NA MeJP NA NA +MJ077733 N-[1,3-Bis(methoxycarbonyl)propyl]-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-hydroxymethyl-7-methoxy-5-benzofuranpropenamide C27H31NO10 529.194796 NA MeJP NA NA +C12430 13-Dihydrodaunorubicin C27H31NO10 529.1948 NA KEGG NA NA +C12433 (13S)-13-Dihydrodaunorubicin C27H31NO10 529.1948 NA KEGG NA NA +PJ003980 NEMH C20H31N7O8S 529.1955 NA PeJP NA NA +PJ003981 CNFF C25H31N5O6S 529.1995 NA PeJP NA NA +MJ077734 ?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-2-amino-2-deoxy-D-galactose; ?-Pyranose-form, N-Ac C20H35NO15 529.200669 NA MeJP NA NA +MJ077735 ?-D-Galactopyranosyl-(1?3)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?4)-L-rhamnose; N-Ac C20H35NO15 529.200669 NA MeJP NA NA +MJ077736 ?-L-Fucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-galactose; ?-Pyranose-form, N-Ac C20H35NO15 529.200669 NA MeJP NA NA +HMDB02060 O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose C20H35NO15 529.20068 http://www.hmdb.ca/metabolites/HMDB02060 HMDB NA NA +HMDB06568 Lewis X trisaccharide C20H35NO15 529.20068 http://www.hmdb.ca/metabolites/HMDB06568 HMDB NA NA +HMDB06582 Lewis a trisaccharide C20H35NO15 529.20068 http://www.hmdb.ca/metabolites/HMDB06582 HMDB NA NA +HMDB02060 O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose C20H35NO15 529.20068 HMDB02060 PFEM_hmdb_metabocards_official NA NA +HMDB06568 Lewis X trisaccharide C20H35NO15 529.20068 HMDB06568 PFEM_hmdb_metabocards_official NA NA +HMDB06582 Lewis a trisaccharide C20H35NO15 529.20068 HMDB06582 PFEM_hmdb_metabocards_official NA NA +HMDB02060 O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose C20H35NO15 529.200684 NA HMDB2010 NA NA +HMDB06568 Lewis X trisaccharide C20H35NO15 529.200684 NA HMDB2010 NA NA +HMDB06582 Lewis a trisaccharide C20H35NO15 529.200684 NA HMDB2010 NA NA +PJ003982 SSSSY C21H31N5O11 529.202 NA PeJP NA NA +PJ003983 CDHR C19H31N9O7S 529.2067 NA PeJP NA NA +MJ077737 Desalicetin; 7-O-De-Me, 2'-(4-amino-2-hydroxybenzoyl) C23H35N3O9S 529.2094 NA MeJP NA NA +MJ077738 Desalicetin; N-De-Me, 2'-(4-amino-2-hydroxybenzoyl) C23H35N3O9S 529.2094 NA MeJP NA NA +PJ003984 GMHW C24H31N7O5S 529.2108 NA PeJP NA NA +MJ077739 Antibiotic SS 56C C19H35N3O14 529.211902 NA MeJP NA NA +PJ003985 GSTEH C20H31N7O10 529.2133 NA PeJP NA NA +MJ077740 Kapporphin C25H31N5O8 529.217262 NA MeJP NA NA +PJ003986 GQYY C25H31N5O8 529.2173 NA PeJP NA NA +PJ003987 GPPEM C22H35N5O8S 529.2207 NA PeJP NA NA +CJpos0817 Phenylacetylglutamine [(2M+H)]+ (13C) C2513CH33N4O8 529.224775 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0817 Phenylacetylglutamine [(2M+H)]+ (13C) C2513CH33N4O8 529.224775 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJneg0641 Phenylacetylglutamine [(2M-H)]- (13C) C2513CH31N4O8 529.225925 C18rt(min)=5.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0641 Phenylacetylglutamine [(2M-H)]- (13C) C2513CH31N4O8 529.225925 C18rt(min)=5.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +PJ003988 STHW C24H31N7O7 529.2285 NA PeJP NA NA +PJ003989 DKMH C21H35N7O7S 529.2319 NA PeJP NA NA +PJ003990 PPMW C26H35N5O5S 529.2359 NA PeJP NA NA +PJ003991 GPVEE C22H35N5O10 529.2384 NA PeJP NA NA +MJ077741 Malformin; Malformin A C23H39N5O5S2 529.23926 NA MeJP NA NA +MJ077742 Malformin; Malformin B1 C23H39N5O5S2 529.23926 NA MeJP NA NA +MJ077743 Malformin; Malformin B3 C23H39N5O5S2 529.23926 NA MeJP NA NA +MJ077744 Malformin; Malformin B4 C23H39N5O5S2 529.23926 NA MeJP NA NA +MJ077745 Malformin; Malformin C C23H39N5O5S2 529.23926 NA MeJP NA NA +PJ003992 SMHR C20H35N9O6S 529.2431 NA PeJP NA NA +MJ077746 Naglivan C22H46N4O3S2V 529.245096 NA MeJP NA NA +PJ003993 SSSLH C21H35N7O9 529.2496 NA PeJP NA NA +PJ003994 PEER C21H35N7O9 529.2497 NA PeJP NA NA +MJ077747 Astin J; Me ester C26H35N5O7 529.253648 NA MeJP NA NA +PJ003995 PVEW C26H35N5O7 529.2537 NA PeJP NA NA +PJ003996 SPPVM C23H39N5O7S 529.257 NA PeJP NA NA +PJ003997 GSPNR C20H35N9O8 529.2609 NA PeJP NA NA +PJ003998 VQHF C25H35N7O6 529.2649 NA PeJP NA NA +MJ077748 Harringtonine; Homologue (n = 3), 5'-deoxy C29H39NO8 529.267567 NA MeJP NA NA +MJ077749 Hetisan-2,3,11,13,14-pentol, 2-O-(2-Methylbutanoyl), 3,14-di-Ac C29H39NO8 529.267567 NA MeJP NA NA +MJ077750 Hetisan-2,3,11,13,14-pentol, 2-O-(2-Methylbutanyl), 3,13-di-Ac C29H39NO8 529.267567 NA MeJP NA NA +MJ077751 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-(3-Pyridinecarbonyl), 20-Ac C29H39NO8 529.267567 NA MeJP NA NA +MJ077752 Pregn-5-ene-3,8,12,14,17,20-hexol, 20-(3-Pyridinecarbonyl), 12-Ac C29H39NO8 529.267567 NA MeJP NA NA +C15559 Glycochenodeoxycholate 7-sulfate C26H43NO8S 529.2709 NA KEGG NA NA +HMDB02409 N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Glycine C26H43NO8S 529.270935 NA HMDB2010 NA NA +HMDB02496 N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine C26H43NO8S 529.270935 NA HMDB2010 NA NA +HMDB02497 Glycochenodeoxycholate-3-sulfate C26H43NO8S 529.270935 NA HMDB2010 NA NA +HMDB02409 N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Glycine C26H43NO8S 529.27094 http://www.hmdb.ca/metabolites/HMDB02409 HMDB NA NA +HMDB02496 N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine C26H43NO8S 529.27094 http://www.hmdb.ca/metabolites/HMDB02496 HMDB NA NA +HMDB02497 glycochenodeoxycholate-3-sulfate C26H43NO8S 529.27094 http://www.hmdb.ca/metabolites/HMDB02497 HMDB NA NA +HMDB02409 N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Glycine C26H43NO8S 529.27094 HMDB02409 PFEM_hmdb_metabocards_official NA NA +HMDB02496 N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine C26H43NO8S 529.27094 HMDB02496 PFEM_hmdb_metabocards_official NA NA +HMDB02497 glycochenodeoxycholate-3-sulfate C26H43NO8S 529.27094 HMDB02497 PFEM_hmdb_metabocards_official NA NA +PJ003999 APTLE C23H39N5O9 529.2748 NA PeJP NA NA +MJ077753 Haloperidol; Decanoyl C31H41ClFNO3 529.2759 NA MeJP NA NA +PJ004000 AHFR C24H35N9O5 529.2761 NA PeJP NA NA +MJ077754 N-[1-[[[[4-[[(Aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-?-phenylbenzeneacetamide C29H35N7O3 529.280138 NA MeJP NA NA +PJ004001 GPTQK C22H39N7O8 529.286 NA PeJP NA NA +MJ077755 Glycylprolylphenylalanylprolylisoleucine C27H39N5O6 529.290034 NA MeJP NA NA +MJ077756 Sativanine C C27H39N5O6 529.290034 NA MeJP NA NA +PJ004002 GPPLF C27H39N5O6 529.2901 NA PeJP NA NA +PJ004003 GPLLM C24H43N5O6S 529.2934 NA PeJP NA NA +PJ004004 VQQR C21H39N9O7 529.2973 NA PeJP NA NA +PJ004005 VKHF C26H39N7O5 529.3013 NA PeJP NA NA +PJ004006 AQRR C20H39N11O6 529.3085 NA PeJP NA NA +PJ004007 GVLLE C24H43N5O8 529.3112 NA PeJP NA NA +EUR710 LysoPE (20:1) [M+Na]+ C25H50NO7P 529.314438 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR865 Lyso PE 20:1 [M+Na]+ C25H50NO7P 529.314438 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR710 LysoPE (20:1) [M+Na]+ C25H50NO7P 529.314438 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR865 Lyso PE 20:1 [M+Na]+ C25H50NO7P 529.314438 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR710 LysoPE (20:1) [M+Na]+ C25H50NO7P 529.314438 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR865 Lyso PE 20:1 [M+Na]+ C25H50NO7P 529.314438 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR710 LysoPE (20:1) [M+Na]+ C25H50NO7P 529.314438 masses lipides attendues Inhousejuil11 NA NA +EUR865 Lyso PE 20:1 [M+Na]+ C25H50NO7P 529.314438 masses lipides attendues Inhousejuil11 NA NA +HMDB11493 LysoPE(0:0/22:4(7Z,10Z,13Z,16Z)) C27H48NO7P 529.316833 NA HMDB2010 NA NA +HMDB11523 LysoPE(22:4(7Z,10Z,13Z,16Z)/0:0) C27H48NO7P 529.316833 NA HMDB2010 NA NA +EUR681 Lyso PC 20:4 [M-H-CH3]- C28H50NO7P 529.316842 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR904 Lyso PE 22:4 monoisotopic mass C27H48NO7P 529.316842 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR681 Lyso PC 20:4 [M-H-CH3]- C28H50NO7P 529.316842 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR904 Lyso PE 22:4 monoisotopic mass C27H48NO7P 529.316842 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR681 Lyso PC 20:4 [M-H-CH3]- C28H50NO7P 529.316842 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR904 Lyso PE 22:4 monoisotopic mass C27H48NO7P 529.316842 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR681 Lyso PC 20:4 [M-H-CH3]- C28H50NO7P 529.316842 masses lipides attendues Inhousejuil11 NA NA +EUR904 Lyso PE 22:4 monoisotopic mass C27H48NO7P 529.316842 masses lipides attendues Inhousejuil11 NA NA +PJ004008 LLER C23H43N7O7 529.3224 NA PeJP NA NA +PJ004009 VLLW C28H43N5O5 529.3264 NA PeJP NA NA +PJ004010 VQKR C22H43N9O6 529.3337 NA PeJP NA NA +PJ004011 AKRR C21H43N11O5 529.3449 NA PeJP NA NA +PJ004012 ATLLL C25H47N5O7 529.3476 NA PeJP NA NA +MJ077757 Beauverolide A C30H47N3O5 529.351571 NA MeJP NA NA +PJ004013 AALKK C24H47N7O6 529.3588 NA PeJP NA NA +PJ004014 VKKR C23H47N9O5 529.37 NA PeJP NA NA +MJ077758 Veracintine; 3-O-?-L-Rhamnoside C32H51NO5 529.376723 NA MeJP NA NA +MJ077759 Ambruticin VS 5; N,N,N-Tri-Me, Me ester C32H52NO5(+) 529.376723 NA MeJP NA NA +C07556 Rocuronium C32H53N2O4 529.4005 NA KEGG NA NA +3340 bradykinin RPPGFSPFR 529.7735 MH2+ Inhouse_peptide NA peptide +3101 beta-amyloid protein fragment:25-35 GSNKGAIIGLM 529.78065 MH2+ Inhouse_peptide NA peptide +MJ077760 Pseudotetrafuhalol A C24H18O14 530.069655 NA MeJP NA NA +MJ077761 Tetrafuhalol A C24H18O14 530.069655 NA MeJP NA NA +MJ077762 Tetrafuhalol B C24H18O14 530.069655 NA MeJP NA NA +MJ077763 Tetrafuhalol D C24H18O14 530.069655 NA MeJP NA NA +MJ077764 Tetraphlorethol A; 2',4'''-Dihydroxy C24H18O14 530.069655 NA MeJP NA NA +MJ077765 dTDP-3-oxo-4,6-dideoxy-D-glucose C16H24N2O14P2 530.070276 NA MeJP NA NA +MJ077766 dTDP-4-oxo-2,6-dideoxy-D-glucose C16H24N2O14P2 530.070276 NA MeJP NA NA +MJ077767 dTDP-4-oxo-2,6-dideoxy-L-glucose C16H24N2O14P2 530.070276 NA MeJP NA NA +C06622 dTDP-4-oxo-2,6-dideoxy-L-glucose C16H24N2O14P2 530.0703 NA KEGG NA NA +C11909 dTDP-3-oxo-4,6-dideoxy-D-glucose C16H24N2O14P2 530.0703 NA KEGG NA NA +C11922 dTDP-4-oxo-2,6-dideoxy-D-glucose C16H24N2O14P2 530.0703 NA KEGG NA NA +C11927 dTDP-4-oxo-2,6-dideoxy-L-mannose C16H24N2O14P2 530.0703 NA KEGG NA NA +C11928 dTDP-4-oxo-2,6-dideoxy-D-allose C16H24N2O14P2 530.0703 NA KEGG NA NA +C11932 dTDP-2,6-dideoxy-L-erythro-hexos-3-ulose C16H24N2O14P2 530.0703 NA KEGG NA NA +C18029 dTDP-3-oxo-2,6-dideoxy-D-glucose C16H24N2O14P2 530.0703 NA KEGG NA NA +MJ077768 Juglorubin C28H17O11(-) 530.084911 NA MeJP NA NA +MJ077769 Ustilaginoidin B C28H18O11 530.084911 NA MeJP NA NA +MJ077770 Xenoclauxin C28H18O11 530.084911 NA MeJP NA NA +MJ077771 4,6-Dichloro-5-methyl-1,3-benzenediol; 1-Me ether, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C20H28Cl2O12 530.095781 NA MeJP NA NA +MJ077772 Gulsamanin C25H22O13 530.10604 NA MeJP NA NA +MJ077773 Decursidinol, O,O-Bis(3-chloro-2-hydroxy-2-methylbutanoyl) C24H28Cl2O9 530.111037 NA MeJP NA NA +MJ077774 Antibiotic WS 79089B; ?-Lactone, 6-Ac C29H22O10 530.121296 NA MeJP NA NA +FL3FACGS0083 Luteolin 7-glucoside-4'-(Z-2-methyl-2-butenoate);7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-[3-hydroxy-4-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]phenyl]-4H-1-benzopyran-4-one C26H26O12 530.14242 457624-79-2 knapsack NA NA +FL3FADGS0018 Luteolin 3'-methyl ether 7-(6''-crotonylglucoside) C26H26O12 530.14242 123656-61-1 knapsack NA NA +MJ077775 2',3,4,4',5'-Pentahydroxylign-7-en-9,9'-olide, 3,4:4',5'-Bis(methylene) ether, 2'-O-?-D-glucopyranoside C26H26O12 530.142426 NA MeJP NA NA +MJ077776 3,4-Di-O-caffeoylquinic acid; 3''-Me ether C26H26O12 530.142426 NA MeJP NA NA +MJ077777 3,4-Di-O-caffeoylquinic acid; 3'-Me ether C26H26O12 530.142426 NA MeJP NA NA +MJ077778 3,4-Di-O-caffeoylquinic acid; Me ester C26H26O12 530.142426 NA MeJP NA NA +MJ077779 3,5-Di-O-caffeoylquinic acid; Me ester C26H26O12 530.142426 NA MeJP NA NA +MJ077780 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[6-O-(E)-2-Butenoyl-?-D-glucopyranoside] C26H26O12 530.142426 NA MeJP NA NA +MJ077781 7-Hydroxy-4'-methoxyisoflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside), Me ester C26H26O12 530.142426 NA MeJP NA NA +MJ077782 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranoside] C26H26O12 530.142426 NA MeJP NA NA +MJ077783 Seragakinone A C26H26O12 530.142426 NA MeJP NA NA +HMDB12242 Ketoconazole C26H28Cl2N4O4 530.148743 NA HMDB2010 NA NA +MJ077784 Ketoconazole C26H28Cl2N4O4 530.14876 NA MeJP NA NA +MetaCyc03782 ketoconazole [nizoral;(+-)-cis-1-acetyl-4-(p-((2-(2,4-dichlorophenyl)-2-(imidazol-1- ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine;piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H- imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-;ketoconazol;ketoderm;fungarest;fungoral;ketoisdin;orifungal M;panfungol;] C26H28N4O4CL2 530.148761 NA metacyc NA NA +PJ004015 CDMY C21H30N4O8S2 530.1505 NA PeJP NA NA +MJ077785 3,4',7-Trihydroxyflavan(4?6')-3,3',4',7-tetrahydroxyflavan C30H26O9 530.157682 NA MeJP NA NA +MJ077786 3,4',7-Trihydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 3'''-Deoxy C30H26O9 530.157682 NA MeJP NA NA +MJ077787 3,4',7-Trihydroxyflavan(4?6)-3,3',4',7-tetrahydroxyflavan C30H26O9 530.157682 NA MeJP NA NA +MJ077788 3,4',7-Trihydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'''-Deoxy C30H26O9 530.157682 NA MeJP NA NA +MJ077789 3,4',7-Trihydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3''-Deoxy C30H26O9 530.157682 NA MeJP NA NA +MJ077790 3,4',7-Trihydroxyflavan(4?8)-3,3',4',7-tetrahydroxyflavan C30H26O9 530.157682 NA MeJP NA NA +MJ077791 4',7-Dihydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan C30H26O9 530.157682 NA MeJP NA NA +MJ077792 4',7-Dihydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan C30H26O9 530.157682 NA MeJP NA NA +MJ077793 Ezomycin A2 C19H26N6O12 530.16087 NA MeJP NA NA +MJ077794 Pikuroside C23H30O14 530.163555 NA MeJP NA NA +MJ077795 Formadicins; Formadicin C C24H26N4O10 530.164893 NA MeJP NA NA +MJ077796 4-(Methylthio)-2-propyl-1-[[2'-[[[(propylamino)carbonyl]amino]sulfonyl][1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid C25H30N4O5S2 530.165761 NA MeJP NA NA +PJ004016 CMMF C22H34N4O5S3 530.1692 NA PeJP NA NA +MJ077797 6,8'-Dihydroxy-2,2'-bis(2-phenylethyl)[5,5'-bi-4H-1-benzopyran]-4,4'-dione C34H26O6 530.172938 NA MeJP NA NA +C17749 Curcumin monoglucoside C27H30O11 530.1788 NA KEGG NA NA +FL3FCACS0031 Isoswertisin 2''-O-(2'''-methylbutyrate) C27H30O11 530.17881 681152-39-6 knapsack NA NA +FL3FCACS0032 Isoswertisin 3''-O-(2'''-methylbutyrate) C27H30O11 530.17881 681152-40-9 knapsack NA NA +FL5FABGI0002 Icariside I C27H30O11 530.17881 56725-99-6 knapsack NA NA +FL5FAEGI0001 8-Prenylquercetin 4'-methyl ether 3-rhamnoside;Caohuoside C;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C27H30O11 530.17881 164178-23-8 knapsack NA NA +MJ077798 3',4',5',7-Tetrahydroxy-6-prenylflavone; 4'-Me ether, 7-O-?-D-glucopyranoside C27H30O11 530.178811 NA MeJP NA NA +MJ077799 3,3',4',5,7-Pentahydroxy-8-prenylflavone; 4'-Me ether, 3-O-?-L-rhamnopyranoside C27H30O11 530.178811 NA MeJP NA NA +MJ077800 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-?-D-glucopyranoside C27H30O11 530.178811 NA MeJP NA NA +MJ077801 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 7-O-?-D-glucopyranoside C27H30O11 530.178811 NA MeJP NA NA +MJ077802 Geniposidic acid; 10-(5-Phenyl-2,4-pentadienoyl) (E,E-) C27H30O11 530.178811 NA MeJP NA NA +MJ077803 Mutactimycin A; 3'-O-De-Me C27H30O11 530.178811 NA MeJP NA NA +MJ077804 Mutactimycin C C27H30O11 530.178811 NA MeJP NA NA +MJ077805 Phyllamyricoside B; 9'-Deoxy C27H30O11 530.178811 NA MeJP NA NA +MJ077806 Steffimycin; 9-Demethoxy, 7-deoxo C27H30O11 530.178811 NA MeJP NA NA +PJ004017 DEMH C20H30N6O9S 530.1795 NA PeJP NA NA +PJ004018 CDFF C25H30N4O7S 530.1835 NA PeJP NA NA +MJ077807 ?-D-Mannopyranosyl-(1?4)-?-D-mannopyranosyl-(1?3)-L-rhamnose; ?-Pyranose-form, 3'-Ac C20H34O16 530.184685 NA MeJP NA NA +MJ077808 ?-D-Galactopyranosyl-(1?6)-?-D-mannopyranosyl-(1?4)-L-rhamnose; ?-Pyranose-form, 6''-Ac C20H34O16 530.184685 NA MeJP NA NA +PJ004019 SMMY C22H34N4O7S2 530.1869 NA PeJP NA NA +PJ004020 GSCQH C19H30N8O8S 530.1908 NA PeJP NA NA +FL2F18NC0001 Eriosemaone C;(S)-2',3',6'-Trihydroxy-8-prenyl-5'-(2,4-dihydroxyphenyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone C31H30O8 530.19406 168010-15-9 knapsack NA NA +MJ077809 Artonin Q C31H30O8 530.194067 NA MeJP NA NA +MJ077810 Deacylschiarisanrin; 10-Cinnamoyl(E-) C31H30O8 530.194067 NA MeJP NA NA +MJ077811 Eriosemaone C C31H30O8 530.194067 NA MeJP NA NA +MJ077812 Phenazostatin B C32H26N4O4 530.195405 NA MeJP NA NA +PJ004021 GPNDE C20H30N6O11 530.1973 NA PeJP NA NA +PJ004022 GEYY C25H30N4O9 530.2013 NA PeJP NA NA +7944 synthetic peptide YYW 530.205 antioxidative Inhouse_peptide NA peptide +7962 synthetic peptide WYY 530.205 antioxidative Inhouse_peptide NA peptide +7964 synthetic peptide YWY 530.205 antioxidative Inhouse_peptide NA peptide +MJ077813 Colabomycin A C30H30N2O7 530.205301 NA MeJP NA NA +PJ004023 SSSNH C19H30N8O10 530.2085 NA PeJP NA NA +PJ004024 PNDW C24H30N6O8 530.2125 NA PeJP NA NA +MJ077814 Eurypamide A C24H30N6O8 530.212511 NA MeJP NA NA +MJ077815 4,4',9'-Trihydroxy-3,5'-dimethoxy-8,3'-neolignan, Tetra-Ac C28H34O10 530.215197 NA MeJP NA NA +MJ077816 6-Keto-7-nomilol C28H34O10 530.215197 NA MeJP NA NA +MJ077817 Carapolide F C28H34O10 530.215197 NA MeJP NA NA +MJ077818 Gomisin D C28H34O10 530.215197 NA MeJP NA NA +MJ077819 Isonimbinolide; 22?-Alcohol, 20-ketone, O6-de-Ac C28H34O10 530.215197 NA MeJP NA NA +MJ077820 Isonimbinolide; O6-De-Ac C28H34O10 530.215197 NA MeJP NA NA +MJ077821 Kihadanin A; 21-Ketone(lactone), 23?-alcohol, 7?-alcohol, 7-Ac C28H34O10 530.215197 NA MeJP NA NA +MJ077822 Kihadanin A; 7?-Alcohol, 7-Ac C28H34O10 530.215197 NA MeJP NA NA +MJ077823 Nimbin; 21,23-Dihydro, 21-oxo, 23?-hydroxy, O-de-Ac C28H34O10 530.215197 NA MeJP NA NA +MJ077824 Nimbin; 21,23-Dihydro, 23-oxo, 21?-hydroxy, O-de-Ac C28H34O10 530.215197 NA MeJP NA NA +MJ077825 Rutaevin; 6?-Alcohol, 7-Ac C28H34O10 530.215197 NA MeJP NA NA +PJ004025 SPPCQ C21H34N6O8S 530.2159 NA PeJP NA NA +PJ004026 YYW C29H30N4O6 530.2165 NA PeJP NA NA +PJ004027 AMFY C26H34N4O6S 530.2199 NA PeJP NA NA +PJ004028 NNHF C23H30N8O7 530.2238 NA PeJP NA NA +C03470 3-alpha(S)-Strictosidine C27H34N2O9 530.2264 NA KEGG NA NA +MJ077826 Glabratine C27H34N2O9 530.22643 NA MeJP NA NA +MJ077827 Strictosidine C27H34N2O9 530.22643 NA MeJP NA NA +MJ077828 Tetrahydroalstonine; 9-O-?-D-Glucopyranosyloxy C27H34N2O9 530.22643 NA MeJP NA NA +MJ077829 3-alpha(S)-Strictosidine C27H34N2O9 530.22643 NA MeJP NA NA +MetaCyc03783 strictosidine [3-α(S)-strictosidine;] C27H34N2O9 530.226431 20824-29-7 metacyc NA NA +MetaCyc03784 strictosidine [3-α(S)-strictosidine;] C27H34N2O9 530.226431 NA metacyc NA NA +CJneg0642 Phenylacetylglutamine [(2M-H)]- (18O) C26H31N4O718O 530.226825 C18rt(min)=5.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0642 Phenylacetylglutamine [(2M-H)]- (18O) C26H31N4O718O 530.226825 C18rt(min)=5.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +PJ004029 GSCKH C20H34N8O7S 530.2271 NA PeJP NA NA +CJpos0818 Phenylacetylglutamine [(2M+H)]+ (13C2) C2413C2H33N4O8 530.228175 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0818 Phenylacetylglutamine [(2M+H)]+ (13C2) C2413C2H33N4O8 530.228175 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ077830 1-(Aminoiminomethyl)-N-[[1-[3-hydroxy-2-[(1-naphthalenylsulfonyl)amino]-1-oxopropyl]-2-pyrrolidinyl]methyl]-3-piperidinecarboxamide C25H34N6O5S 530.231138 NA MeJP NA NA +MJ077831 Bistratamide D C25H34N6O5S 530.231138 NA MeJP NA NA +PJ004030 PMHF C25H34N6O5S 530.2312 NA PeJP NA NA +PJ004031 GPTQE C21H34N6O10 530.2337 NA PeJP NA NA +PJ004032 LMMH C22H38N6O5S2 530.2345 NA PeJP NA NA +PJ004033 THHH C22H30N10O6 530.235 NA PeJP NA NA +PJ004034 SVYY C26H34N4O8 530.2377 NA PeJP NA NA +MJ077832 Vincamajine; O-(3,4-Dimethoxybenzoyl) C31H34N2O6 530.241686 NA MeJP NA NA +PJ004035 GSPDR C20H34N8O9 530.2449 NA PeJP NA NA +7713 NA AWQSLQSGW~ 530.248 MH2+ Inhouse_peptide NA peptide +PJ004036 PTQW C25H34N6O7 530.2489 NA PeJP NA NA +MJ077833 11,16:15,16-Diepoxy-4,6,7,13,18-pentahydroxy-1-clerodanone, 7-Cinnamoyl (E-) C29H38O9 530.251582 NA MeJP NA NA +MJ077834 11,16:15,16-Diepoxy-4,6,7,13,18-pentahydroxy-1-clerodanone, 7-Cinnamoyl(Z-) C29H38O9 530.251582 NA MeJP NA NA +MJ077835 14,15-Epoxy-4-isocedrene-3,8,14,15-tetrol, 3,8-Diangeloyl,14,15-di-Ac C29H38O9 530.251582 NA MeJP NA NA +MJ077836 8,13-Epoxy-3,4,6,11-tetrahydroxy-15,16-clerodanolide, 6-Benzoyl, 11-Ac C29H38O9 530.251582 NA MeJP NA NA +MJ077837 CAMT 2 C29H38O9 530.251582 NA MeJP NA NA +MJ077838 EP1 C29H38O9 530.251582 NA MeJP NA NA +MJ077839 Elaeodendroside D; 11?-Hydroxy C29H38O9 530.251582 NA MeJP NA NA +MJ077840 Elaeodendroside R C29H38O9 530.251582 NA MeJP NA NA +MJ077841 Entilin A; 2-Ac C29H38O9 530.251582 NA MeJP NA NA +MJ077842 Entilin D C29H38O9 530.251582 NA MeJP NA NA +MJ077843 Gomisin Q; 7-Angeloyl C29H38O9 530.251582 NA MeJP NA NA +MJ077844 Gomphoside; 19-Oxo, 3'-ketone C29H38O9 530.251582 NA MeJP NA NA +MJ077845 Gomphoside; 19-Oxo, 5,6-didehydro C29H38O9 530.251582 NA MeJP NA NA +MJ077846 Gomphoside; 3'-Epimer, 19-oxo, 5,6-didehydro C29H38O9 530.251582 NA MeJP NA NA +MJ077847 Gomphoside; 3'-Epimer, 19-oxo, 7,8-didehydro C29H38O9 530.251582 NA MeJP NA NA +MJ077848 Humistratin C29H38O9 530.251582 NA MeJP NA NA +MJ077849 Miotoxin B C29H38O9 530.251582 NA MeJP NA NA +MJ077850 Miotoxin D; 2',3'-Didehydro C29H38O9 530.251582 NA MeJP NA NA +MJ077851 Roridin D C29H38O9 530.251582 NA MeJP NA NA +MJ077852 Roridin E; 6',13'-Diepimer, 7?,8?-epoxide C29H38O9 530.251582 NA MeJP NA NA +MJ077853 Roridin L2 C29H38O9 530.251582 NA MeJP NA NA +C08883 Uscharidin C29H38O9 530.2516 NA KEGG NA NA +PJ004037 GPVQM C22H38N6O7S 530.2523 NA PeJP NA NA +PJ004038 AFFF C30H34N4O5 530.2529 NA PeJP NA NA +PJ004039 NNQR C19H34N10O8 530.2561 NA PeJP NA NA +PJ004040 GGGGGAR C19H34N10O8 530.2562 NA PeJP NA NA +3456 PEP inhibitor LSPFWNINA 530.26085 MH2+ Inhouse_peptide NA peptide +MJ077854 Ajmaline; 17-Ac, 21-O-?-D-glucopyranoside C28H38N2O8 530.262816 NA MeJP NA NA +MJ077855 Antibiotic C 33196E6 C28H38N2O8 530.262816 NA MeJP NA NA +MJ077856 Antibiotic C 33196E7 C28H38N2O8 530.262816 NA MeJP NA NA +MJ077857 Herbimycin B C28H38N2O8 530.262816 NA MeJP NA NA +PJ004041 PQMR C21H38N8O6S 530.2635 NA PeJP NA NA +MJ077858 Nemorosinic acid A C33H38O6 530.266838 NA MeJP NA NA +PJ004042 SSPLQ C22H38N6O9 530.27 NA PeJP NA NA +PJ004043 GPTKE C22H38N6O9 530.2701 NA PeJP NA NA +MJ077859 11,15,16,17-Tetrahydroxy-19-kauranoic acid, ?-D-Glucopyranosyl ester C26H42O11 530.272712 NA MeJP NA NA +MJ077860 16,17-Dihydroxy-2,3-seco-2,3-kauranedioic acid, 17-O-?-D-Glucopyranoside C26H42O11 530.272712 NA MeJP NA NA +MJ077861 Cinncassiol D1; 4?-Hydroxy, 19-O-?-D-glucopyranoside C26H42O11 530.272712 NA MeJP NA NA +PJ004044 PCRR C20H38N10O5S 530.2748 NA PeJP NA NA +MJ077862 Chaetoglobosin A; 19-Epimer, 21,22-dihydro C32H38N2O5 530.278072 NA MeJP NA NA +MJ077863 Chaetoglobosin A; 20S-Alcohol C32H38N2O5 530.278072 NA MeJP NA NA +MJ077864 Chaetoglobosin A; 21,22-Dihydro C32H38N2O5 530.278072 NA MeJP NA NA +MJ077865 Chaetoglobosin B; 19-Epimer, 21,22-dihydro C32H38N2O5 530.278072 NA MeJP NA NA +MJ077866 Chaetoglobosin B; 21,22-Dihydro C32H38N2O5 530.278072 NA MeJP NA NA +MJ077867 Chaetoglobosin D; 21,22-Dihydro, 19-ketone, 20?-alcohol C32H38N2O5 530.278072 NA MeJP NA NA +MJ077868 Cortivazol C32H38N2O5 530.278072 NA MeJP NA NA +PJ004045 VQER C21H38N8O8 530.2813 NA PeJP NA NA +PJ004046 PTKW C26H38N6O6 530.2853 NA PeJP NA NA +MJ077869 2,6,10,14-Phytatetraene-1,16-diol, Bis(2-methylfumaroyl) C30H42O8 530.287968 NA MeJP NA NA +MJ077870 3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-?-L-Rhamnopyranoside C30H42O8 530.287968 NA MeJP NA NA +MJ077871 3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-?-L-Rhamnopyranoside C30H42O8 530.287968 NA MeJP NA NA +MJ077872 3,7,12,23-Tetrahydroxy-11,15-dioxolanosta-8,24-dien-26-oic acid, 7-Ketone C30H42O8 530.287968 NA MeJP NA NA +MJ077873 3,7,12-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid, 3-Ketone C30H42O8 530.287968 NA MeJP NA NA +MJ077874 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-Tigloyl, 13-(2-methylbutanoyl) C30H42O8 530.287968 NA MeJP NA NA +MJ077875 7,20-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid C30H42O8 530.287968 NA MeJP NA NA +MJ077876 7,8-Epoxy-3,20-dihydroxy-12,15,23-trioxo-9(11),16-lanostadien-26-oic acid, 12?-Alcohol C30H42O8 530.287968 NA MeJP NA NA +MJ077877 8,14-Epoxy-3-hydroxycarda-16,20(22)-dienolide, 3-O-?-D-Digitaloside C30H42O8 530.287968 NA MeJP NA NA +MJ077878 9,12,13,17-Tetrahydroxy-1,6-tigliadien-3-one, 12,13-Bis(2-methylpropanoyl), 17-Ac C30H42O8 530.287968 NA MeJP NA NA +MJ077879 9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12,13-Bis(2-methylpropanoyl), 20-Ac C30H42O8 530.287968 NA MeJP NA NA +MJ077880 Cochlioquinone A; 21,22-Didehydro(Z-) C30H42O8 530.287968 NA MeJP NA NA +MJ077881 Kihadalactone B C30H42O8 530.287968 NA MeJP NA NA +MJ077882 Micareic acid; 3-Methoxy C30H42O8 530.287968 NA MeJP NA NA +MJ077883 Nic 2; 17-Deoxy, 17-epimer, 16?-acetoxy C30H42O8 530.287968 NA MeJP NA NA +MJ077884 Physapubescin C30H42O8 530.287968 NA MeJP NA NA +MJ077885 Resiniferonol; 6?,7?-Epoxide, 14-(2E,4E-decadienoyl) C30H42O8 530.287968 NA MeJP NA NA +MJ077886 Withacnistin; 2,3-Dihydro, 3?-hydroxy C30H42O8 530.287968 NA MeJP NA NA +PJ004047 GPVKM C23H42N6O6S 530.2887 NA PeJP NA NA +MJ077887 Cholest-22-ene-3,6,8,15,24-pentol, 15-Sulfate C27H46O8S 530.291339 NA MeJP NA NA +PJ004048 AERR C20H38N10O7 530.2925 NA PeJP NA NA +PJ004049 GLRW C25H38N8O5 530.2965 NA PeJP NA NA +PJ004050 PKMR C22H42N8O5S 530.2999 NA PeJP NA NA +PJ004051 AALKE C23H42N6O8 530.3064 NA PeJP NA NA +MJ077888 2-Polyprenyl-1,4-benzenediol; 2-Pentaprenyl-1,4-benzenediol, 1-Sulfate C31H46O5S 530.306595 NA MeJP NA NA +MJ077889 2-Polyprenyl-1,4-benzenediol; 2-Pentaprenyl-1,4-benzenediol, 4-Sulfate C31H46O5S 530.306595 NA MeJP NA NA +MJ077890 1,6,10-Farnesatrien-3-ol, O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H46O10 530.309097 NA MeJP NA NA +MJ077891 Murolic acid, O-?-D-Glucopyranoside C27H46O10 530.309097 NA MeJP NA NA +C11992 L-Oleandrosyl-oleandolide C27H46O10 530.3091 NA KEGG NA NA +C17615 Kukoamine A C28H42N4O6 530.3104 NA KEGG NA NA +C17616 Kukoamine B C28H42N4O6 530.3104 NA KEGG NA NA +C17617 Kukoamine C C28H42N4O6 530.3104 NA KEGG NA NA +C17618 Kukoamine D C28H42N4O6 530.3104 NA KEGG NA NA +MJ077892 Chlamydocin; Deepoxy, 6'R,7'R-diol C28H42N4O6 530.310435 NA MeJP NA NA +MJ077893 Kukoamine A C28H42N4O6 530.310435 NA MeJP NA NA +PJ004052 VKER C22H42N8O7 530.3177 NA PeJP NA NA +PJ004053 VVKW C27H42N6O5 530.3217 NA PeJP NA NA +MJ077894 24,25-Epoxy-17(24)-scalarene-12,16,25-triol, Tri-Ac C31H46O7 530.324353 NA MeJP NA NA +MJ077895 3,14-Dihydroxycard-20(22)-enolide, 3-O-(7-Carboxyheptanoyl) C31H46O7 530.324353 NA MeJP NA NA +MJ077896 8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 12-Tigloyl, 11-(2-methylbutanoyl) C31H46O7 530.324353 NA MeJP NA NA +MJ077897 Amphidinolide A C31H46O7 530.324353 NA MeJP NA NA +MJ077898 Fusilactidic acid C31H46O7 530.324353 NA MeJP NA NA +MJ077899 Milbemycin ?1; 6S-Hydroxy, 28-deoxy, 5-O-de-Me C31H46O7 530.324353 NA MeJP NA NA +PJ004054 SLRR C21H42N10O6 530.3289 NA PeJP NA NA +MJ077900 Ageline B C31H43N6O2(+) 530.336924 NA MeJP NA NA +FL1DA9NR0006 Neolinderatin C35H46O4 530.3396 120217-41-6 knapsack NA NA +FL1DA9NR0013 (-)-Neolinderatin;[1S-[1alpha(1R*,6R*),6beta]]-3-Phenyl-1-[2,4,6-trihydroxy-3,5-bis[3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]phenyl]-1-propanone C35H46O4 530.3396 196089-61-9 knapsack NA NA +MJ077901 Neolinderatin C35H46O4 530.339609 NA MeJP NA NA +PJ004055 GTLLK C24H46N6O7 530.3428 NA PeJP NA NA +PJ004056 QKKK C23H46N8O6 530.354 NA PeJP NA NA +PJ004057 GAKKK C23H46N8O6 530.3541 NA PeJP NA NA +MJ077902 12,16-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Hydroxypentanoyl) C32H50O6 530.360739 NA MeJP NA NA +MJ077903 12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 12-Ketone, 16-O-(3-hydroxypentanoyl) C32H50O6 530.360739 NA MeJP NA NA +MJ077904 12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 16-Propanoyl, 12-Ac C32H50O6 530.360739 NA MeJP NA NA +MJ077905 12,16-Dihydroxy-20,24-dimethyl-25-nor-17-scalaren-24-one, 12-(3-Acetoxybutanoyl) C32H50O6 530.360739 NA MeJP NA NA +MJ077906 13,28-Epoxy-3,16,22-trihydroxy-30-oleanal, 22-Ac C32H50O6 530.360739 NA MeJP NA NA +MJ077907 17,24:20,24-Diepoxydammarane-3,12,25-triol, 3-Ketone, 12-Ac C32H50O6 530.360739 NA MeJP NA NA +MJ077908 2,3,19-Trihydroxy-12-ursen-28-oic acid, 2-Ac C32H50O6 530.360739 NA MeJP NA NA +MJ077909 2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-Ac C32H50O6 530.360739 NA MeJP NA NA +MJ077910 2,3,23-Trihydroxy-12-ursen-28-oic acid, 2-Ac C32H50O6 530.360739 NA MeJP NA NA +MJ077911 2,3,24-Trihydroxy-12-ursen-28-oic acid, 24-Ac C32H50O6 530.360739 NA MeJP NA NA +MJ077912 2,3-Dihydroxy-12-oleanene-23,28-dioic acid, Di-Me ester C32H50O6 530.360739 NA MeJP NA NA +MJ077913 21,23-Epoxy-7,21,24,25-tetrahydroxy-1,14-apotirucalladien-3-one, 21,25-Di-Me ether C32H50O6 530.360739 NA MeJP NA NA +MJ077914 21,24-Epoxy-1,3,21-trihydroxycycloart-25-en-28-oic acid, 21-Me ether, Me ester C32H50O6 530.360739 NA MeJP NA NA +MJ077915 24,25-Epoxy-11,12,23-trihydroxy-13(17)-protosten-3-one, 23-Ac C32H50O6 530.360739 NA MeJP NA NA +MJ077916 24,25-Epoxy-3,11,23-trihydroxyprotost-13(17)-en-2-one, 23-Ac C32H50O6 530.360739 NA MeJP NA NA +MJ077917 3,19:24,25-Diepoxydammar-20(22)-ene-3,11,23-triol, 11-Ac C32H50O6 530.360739 NA MeJP NA NA +MJ077918 3,25-Epoxy-12-ursene-3,21,22,28-tetrol, 28-Ac C32H50O6 530.360739 NA MeJP NA NA +MJ077919 4,4'-[1,4-Phenylenebis(oxy-6,1-hexanediyl)]bis-3,5-heptanedione C32H50O6 530.360739 NA MeJP NA NA +MJ077920 5,6-Epoxy-3,11-dihydroxyergost-22-en-1-one, 22,23-Dihydro, di-Ac C32H50O6 530.360739 NA MeJP NA NA +MJ077921 6,21,22,28-Tetrahydroxy-12-oleanen-3-one, 28-Ac C32H50O6 530.360739 NA MeJP NA NA +MJ077922 Alisol B; 16?-Hydroxy, 23-Ac C32H50O6 530.360739 NA MeJP NA NA +MJ077923 Alisol D C32H50O6 530.360739 NA MeJP NA NA +MJ077924 Cimigenol; 25-Ac C32H50O6 530.360739 NA MeJP NA NA +MJ077925 Glabretal C32H50O6 530.360739 NA MeJP NA NA +MJ077926 Glutinopallal; O5-Hexadecanoyl C32H50O6 530.360739 NA MeJP NA NA +MJ077927 Ingenol; 3-Dodecanoyl C32H50O6 530.360739 NA MeJP NA NA +MJ077928 Raspacionin B C32H50O6 530.360739 NA MeJP NA NA +MJ077929 Toosendantriol; 21-Ac C32H50O6 530.360739 NA MeJP NA NA +PJ004058 KKKK C24H50N8O5 530.3904 NA PeJP NA NA +MJ077930 Anhydroescholtzxanthin C40H50 530.391251 NA MeJP NA NA +MJ077931 Tethyanin C40H50 530.391251 NA MeJP NA NA +MJ077932 Tethyatene C40H50 530.391251 NA MeJP NA NA +MJ077933 3,22-Dihydroxy-29-hopanoic acid, 3-Ac, Me ester C33H54O5 530.397124 NA MeJP NA NA +MJ077934 ?-Tocopherol; 3-Carboxypropanoyl C33H54O5 530.397124 NA MeJP NA NA +MJ077935 5,20-Dipropyl-1,16-dioxa-4,19-diazacyclotriaconta-7,10,22,25-tetraene-15,30-dione C32H54N2O4 530.408358 NA MeJP NA NA +MJ077936 12-Oleanen-3-ol, Benzoyl C37H54O2 530.41238 NA MeJP NA NA +MJ077937 20(29)-Lupen-3-ol, Benzoyl C37H54O2 530.41238 NA MeJP NA NA +MJ077938 20-Taraxasten-3-ol, Benzoyl C37H54O2 530.41238 NA MeJP NA NA +MJ077939 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Tetracosyl ester C34H58O4 530.43351 NA MeJP NA NA +MJ077940 1-(4-Hydroxyphenyl)-24-methoxy-5-propyl-1-pentacosanone C35H62O3 530.469895 NA MeJP NA NA +MJ077941 2-Alkenyl-4,6-dimethoxyphenols; 2-(18-Heptacosenyl)-4,6-dimethoxyphenol C35H62O3 530.469895 NA MeJP NA NA +MJ077942 3-(4-Hydroxyphenyl)-1-propanol; 1-Hexacosanoyl C35H62O3 530.469895 NA MeJP NA NA +MJ077943 5-Alkenyl-2,6-dimethoxyphenols; 4-(18-Heptacosenyl)-2,6-dimethoxyphenol C35H62O3 530.469895 NA MeJP NA NA +MJ077944 Epomuricenin B C35H62O3 530.469895 NA MeJP NA NA +MJ077945 Epoxymurin A C35H62O3 530.469895 NA MeJP NA NA +MJ077946 Sabadelin C35H62O3 530.469895 NA MeJP NA NA +C08484 Epoxymurin-A C35H62O3 530.4699 NA KEGG NA NA +MJ077947 15,22-Heptatriacontadien-2-one C37H70O 530.542666 NA MeJP NA NA +MJ077948 8,28-Heptatriacontadien-2-one C37H70O 530.542666 NA MeJP NA NA +MJ077949 Heptanitrosyltri-?3-thioxotetraferrate(1-) Fe4N7O7S3(-) 530.649725 NA MeJP NA NA +MJ077950 Keronopsin B1; 17-Bromo, O-sulfate C18H15Br2NO6S 530.898683 NA MeJP NA NA +HMDB06911 CDP-diacylglycerol C14H19N3O15P2 531.02911 http://www.hmdb.ca/metabolites/HMDB06911 HMDB NA NA +HMDB06911 CDP-diacylglycerol C14H19N3O15P2 531.02911 HMDB06911 PFEM_hmdb_metabocards_official NA NA +C04297 CDP-4-dehydro-3,6-dideoxy-D-glucose C15H23N3O14P2 531.0655 NA KEGG NA NA +C04298 Citrate (pro-3S)-lyase (thiol form) HSR 531.0655 NA KEGG NA NA +C17326 CDP-4-dehydro-3,6-dideoxy-D-glucose epimer C15H23N3O14P2 531.0655 NA KEGG NA NA +MJ077951 CDP-4-dehydro-3,6-dideoxy-D-glucose C15H23N3O14P2 531.065525 NA MeJP NA NA +MetaCyc03785 CDP-4-dehydro-3,6-dideoxy-D-glucose [] C15H23N3O14P2 531.065525 NA metacyc NA NA +PJ004059 TCCCC C16H29N5O7S4 531.095 NA PeJP NA NA +C11910 dTDP-3-amino-3,4,6-trideoxy-D-glucose C16H27N3O13P2 531.1019 NA KEGG NA NA +C12443 dTDP-beta-L-daunosamine C16H27N3O13P2 531.1019 NA KEGG NA NA +C18030 dTDP-2,6-dideoxy-D-kanosamine C16H27N3O13P2 531.1019 NA KEGG NA NA +C18092 dTDP-L-ristosamine C16H27N3O13P2 531.1019 NA KEGG NA NA +MJ077952 dTDP-3-amino-3,4,6-trideoxy-D-glucose C16H27N3O13P2 531.101911 NA MeJP NA NA +PJ004060 GCCCF C20H29N5O6S3 531.128 NA PeJP NA NA +MJ077953 Ezomycin B2 C19H25N5O13 531.144885 NA MeJP NA NA +PJ004061 GSCCY C20H29N5O8S2 531.1458 NA PeJP NA NA +MJ077954 4-Methoxyoxohernandaline C29H25NO9 531.152931 NA MeJP NA NA +MJ077955 Lamellarin H; 7-Hydroxy, 5,6-dihydro, 8,9,12,21-tetra-Me ether C29H25NO9 531.152931 NA MeJP NA NA +MJ077956 Lamellarin H; 7-Hydroxy, 5,6-dihydro, 8,9,13,21-tetra-Me ether C29H25NO9 531.152931 NA MeJP NA NA +MJ077957 Neoacrimarine F C29H25NO9 531.152931 NA MeJP NA NA +MJ077958 N-Acetyl-D-galactosaminyldiphosphoundecaprenol C19H35NO12P2 531.163448 NA MeJP NA NA +MJ077959 2-Hydroxy-2-phenylacetonitrile, O-[5-O-Benzoyl-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C26H29NO11 531.17406 NA MeJP NA NA +MJ077960 Isorhoeagenine; O-?-D-Glucopyranoside C26H29NO11 531.17406 NA MeJP NA NA +MJ077961 Oxaunomycin; 1-Hydroxy C26H29NO11 531.17406 NA MeJP NA NA +PJ004062 GSCEH C19H29N7O9S 531.1748 NA PeJP NA NA +MJ077962 Terconazole C26H31Cl2N5O3 531.180395 NA MeJP NA NA +C08080 Terconazole C26H31Cl2N5O3 531.1804 NA KEGG NA NA +C08081 Transferred to D00889 C26H31Cl2N5O3 531.1804 NA KEGG NA NA +PJ004063 GPDDE C20H29N5O12 531.1813 NA PeJP NA NA +PJ004064 SCHW C23H29N7O6S 531.19 NA PeJP NA NA +PJ004065 SSSDH C19H29N7O11 531.1925 NA PeJP NA NA +PJ004066 NMMH C20H33N7O6S2 531.1934 NA PeJP NA NA +PJ004067 PDDW C24H29N5O9 531.1966 NA PeJP NA NA +MJ077963 Butropium(1+), Bromide C28H38BrNO4 531.198421 NA MeJP NA NA +MJ077964 Phaseolotoxin C15H34N9O8PS 531.198866 NA MeJP NA NA +PJ004068 SPPCE C21H33N5O9S 531.1999 NA PeJP NA NA +PJ004069 GNNNN C18H29N9O10 531.2038 NA PeJP NA NA +MJ077965 Denticin B C26H33N3O7S 531.203921 NA MeJP NA NA +PJ004070 NDHF C23H29N7O8 531.2078 NA PeJP NA NA +PJ004071 GSTMH C20H33N7O8S 531.2112 NA PeJP NA NA +PJ004072 GPTEE C21H33N5O11 531.2177 NA PeJP NA NA +PJ004073 GPPMM C22H37N5O6S2 531.2185 NA PeJP NA NA +MJ077966 5-(1,3-Benzodioxol-5-yl)-2-butyl-7-[2-(2-carboxypropyl)-4-methoxyphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid C31H33NO7 531.225702 NA MeJP NA NA +MJ077967 Staudine C31H33NO7 531.225702 NA MeJP NA NA +PJ004074 SSTTH C20H33N7O10 531.2289 NA PeJP NA NA +CJneg0643 Phenylacetylglutamine [(2M-H)]- (13C+18O) C2513CH31N4O718O 531.230125 C18rt(min)=5.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0643 Phenylacetylglutamine [(2M-H)]- (13C+18O) C2513CH31N4O718O 531.230125 C18rt(min)=5.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +PJ004075 PTEW C25H33N5O8 531.2329 NA PeJP NA NA +MJ077968 Asterin A C25H33N5O8 531.232913 NA MeJP NA NA +MJ077969 Asterinin A C25H33N5O8 531.232913 NA MeJP NA NA +PJ004076 GPVEM C22H37N5O8S 531.2363 NA PeJP NA NA +PJ004077 NNER C19H33N9O9 531.2401 NA PeJP NA NA +PJ004078 GGNER C19H33N9O9 531.2402 NA PeJP NA NA +MJ077970 2-[[2-[[2-[(2-Amino-3-mercaptopropyl)amino]-3-methylpentyl]oxy]-1-oxo-3-phenylpropyl]amino]-4-(methylsulfonyl)butanoic acid; Me ester C24H41N3O6S2 531.243677 NA MeJP NA NA +PJ004079 AQQW C24H33N7O7 531.2442 NA PeJP NA NA +C10597 Harringtonine C28H37NO9 531.2468 NA KEGG NA NA +MJ077971 2-Hydroxy-1-hydroxymethylpyrrolizidine, O2-Angeloyl, O1'-[?-L-rhamnopyranosyl-(?4)-4-hydroxycinnamoyl] C28H37NO9 531.246831 NA MeJP NA NA +MJ077972 Drupangtonine C28H37NO9 531.246831 NA MeJP NA NA +MJ077973 Harringtonine C28H37NO9 531.246831 NA MeJP NA NA +MJ077974 Isoharringtonine C28H37NO9 531.246831 NA MeJP NA NA +MJ077975 Nargenicin B2 C28H37NO9 531.246831 NA MeJP NA NA +MJ077976 Nargenicin B3 C28H37NO9 531.246831 NA MeJP NA NA +PJ004080 PEMR C21H37N7O7S 531.2475 NA PeJP NA NA +PJ004081 PVMW C26H37N5O5S 531.2516 NA PeJP NA NA +PJ004082 AALEE C22H37N5O10 531.2541 NA PeJP NA NA +PJ004083 GNRW C23H33N9O6 531.2554 NA PeJP NA NA +MJ077977 1-[6-[[2-(1-Cyclopentyl-1H-indol-3-yl)ethyl]amino]-9H-purin-9-yl]-N-cyclopropyl-1-deoxy-?-D-ribofuranuronamide C28H33N7O4 531.259402 NA MeJP NA NA +MJ077978 Cytochalasin K C32H37NO6 531.262087 NA MeJP NA NA +7321 celiac sprue gluten epitope from gamma-gliadin PQPQQQLPQ 531.265 MH2+ Inhouse_peptide NA peptide +7324 celiac sprue gluten epitope from gamma-gliadin PQQQIPQPQ 531.265 MH2+ Inhouse_peptide NA peptide +7325 celiac sprue gluten epitope from gamma-gliadin PQQQLPQPQ 531.265 MH2+ Inhouse_peptide NA peptide +7335 celiac sprue gluten epitope from gamma-gliadin QQPQQPLPQ 531.265 MH2+ Inhouse_peptide NA peptide +7385 celiac sprue gluten epitope found in hordein QQPLPQQPQ 531.265 MH2+ Inhouse_peptide NA peptide +7395 celiac sprue gluten epitope found in hordein* QQPIPQQPQ 531.265 MH2+ Inhouse_peptide NA peptide +PJ004084 VEER C21H37N7O9 531.2653 NA PeJP NA NA +PJ004085 VVEW C26H37N5O7 531.2693 NA PeJP NA NA +PJ004086 APTLM C23H41N5O7S 531.2727 NA PeJP NA NA +PJ004087 NDKR C20H37N9O8 531.2765 NA PeJP NA NA +PJ004088 AQKW C25H37N7O6 531.2805 NA PeJP NA NA +PJ004089 GAAKW C25H37N7O6 531.2806 NA PeJP NA NA +MJ077979 3,8,14,15,16,18-Hexahydroxypregnan-20-one, O18-(2-Methylaminobenzoyl) C29H41NO8 531.283217 NA MeJP NA NA +MJ077980 Pregnane-3,8,12,14,17,20-hexol, 20-O-(3-Pyridinecarbonyl), 12-Ac C29H41NO8 531.283217 NA MeJP NA NA +PJ004090 GPCKK C22H41N7O6S 531.2839 NA PeJP NA NA +MJ077981 Waltherine C C30H37N5O4 531.284554 NA MeJP NA NA +PJ004091 SNRR C19H37N11O7 531.2878 NA PeJP NA NA +MJ077982 Implitapide C35H37N3O2 531.288577 NA MeJP NA NA +PJ004092 PTTTL C23H41N5O9 531.2904 NA PeJP NA NA +PJ004093 GTLLE C23H41N5O9 531.2905 NA PeJP NA NA +PJ004094 QKKE C22H41N7O8 531.3017 NA PeJP NA NA +PJ004095 TLLW C27H41N5O6 531.3057 NA PeJP NA NA +PJ004096 GVLLM C24H45N5O6S 531.3091 NA PeJP NA NA +PJ004097 TQKR C21H41N9O7 531.3129 NA PeJP NA NA +PJ004098 AKKW C26H41N7O5 531.3169 NA PeJP NA NA +PJ004099 LLMR C23H45N7O5S 531.3203 NA PeJP NA NA +HMDB00590 Glutarylglycine C25H53NO5Si3 531.32312 http://www.hmdb.ca/metabolites/HMDB00590 HMDB NA NA +HMDB00590 Glutarylglycine C25H53NO5Si3 531.32312 HMDB00590 PFEM_hmdb_metabocards_official NA NA +PJ004100 SSLLL C24H45N5O8 531.3268 NA PeJP NA NA +EUR705 Lyso PE (20:0) [M+Na]+ C25H52NO7P 531.330088 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR860 Lyso PE 20:0 [M+Na]+ C25H52NO7P 531.330088 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR705 Lyso PE (20:0) [M+Na]+ C25H52NO7P 531.330088 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR860 Lyso PE 20:0 [M+Na]+ C25H52NO7P 531.330088 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR705 Lyso PE (20:0) [M+Na]+ C25H52NO7P 531.330088 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR860 Lyso PE 20:0 [M+Na]+ C25H52NO7P 531.330088 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR705 Lyso PE (20:0) [M+Na]+ C25H52NO7P 531.330088 masses lipides attendues Inhousejuil11 NA NA +EUR860 Lyso PE 20:0 [M+Na]+ C25H52NO7P 531.330088 masses lipides attendues Inhousejuil11 NA NA +EUR761 Lyso PC 20:3 [M-H-CH3]- C28H52NO7P 531.332492 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR761 Lyso PC 20:3 [M-H-CH3]- C28H52NO7P 531.332492 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR761 Lyso PC 20:3 [M-H-CH3]- C28H52NO7P 531.332492 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR761 Lyso PC 20:3 [M-H-CH3]- C28H52NO7P 531.332492 masses lipides attendues Inhousejuil11 NA NA +PJ004101 KKKE C23H45N7O7 531.3381 NA PeJP NA NA +MJ077983 AAL Toxin; AAL Toxin TA1, 4,5-Dideoxy, N-Ac C27H49NO9 531.340732 NA MeJP NA NA +MJ077984 AAL Toxin; AAL Toxin TA2, 4,5-Dideoxy, N-Ac C27H49NO9 531.340732 NA MeJP NA NA +PJ004102 TKKR C22H45N9O6 531.3493 NA PeJP NA NA +MJ077985 Mitiphylline C31H49NO6 531.355988 NA MeJP NA NA +MJ077986 Tetraiodoethylene C2I4 531.617873 NA MeJP NA NA +MJ077987 3,5-Dibromo-4-chloro-2-(2,4-dibromophenoxy)phenol C12H5Br4ClO2 531.671157 NA MeJP NA NA +7386 celiac sprue gluten epitope found in hordein QQPNPQQPQ 531.74445 MH2+ Inhouse_peptide NA peptide +7376 celiac sprue gluten epitope found in hordein QEPIPQQPQ 531.757 MH2+ Inhouse_peptide NA peptide +MJ077988 8-[(3-Nitrobenzoyl)amino]-1,3,5-naphthalenetrisulfonic acid C17H12N2O12S3 531.955235 NA MeJP NA NA +MJ077989 Dichlorobis(1,10-phenanthroline-N1,N10)ruthenium(II) C24H16Cl2N4Ru 531.979551 NA MeJP NA NA +MJ077990 Tetrafucol A; 5'-Chloro C24H17ClO12 532.040853 NA MeJP NA NA +MJ077991 Xanthone 411P C27H16O12 532.064175 NA MeJP NA NA +MJ077992 Cefsulodin C22H20N4O8S2 532.072255 NA MeJP NA NA +C11253 Cefsulodin C22H20N4O8S2 532.0723 NA KEGG NA NA +C11920 dTDP-L-olivose C16H26N2O14P2 532.0859 NA KEGG NA NA +C11923 dTDP-D-olivose C16H26N2O14P2 532.0859 NA KEGG NA NA +C12446 dTDP-D-oliose C16H26N2O14P2 532.0859 NA KEGG NA NA +MJ077993 Ambewelamide A C24H24N2O8S2 532.097407 NA MeJP NA NA +MJ077994 Scabrosine; 4'-Butanoyl, 4-Ac C24H24N2O8S2 532.097407 NA MeJP NA NA +MJ077995 Ustilaginoidin B; 2,3-Dihydro C28H20O11 532.100561 NA MeJP NA NA +MJ077996 Dethiosecoemestrin C27H20N2O10 532.111794 NA MeJP NA NA +MJ077997 2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)benzoquinone; 3,6-Dibenzoyl C32H20O8 532.115817 NA MeJP NA NA +MJ077998 Napyradiomycin B4 C25H31Cl3O6 532.118621 NA MeJP NA NA +MJ077999 1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide C25H20F4N4O3S 532.119224 NA MeJP NA NA +MJ078000 3',4',6,7-Tetrahydroxyaurone; 6-O-(4,6-Di-O-acetyl-?-D-glucopyranoside) C25H24O13 532.12169 NA MeJP NA NA +MJ078001 4',5-Dihydroxy-7-methoxyflavone; 5-O-(6-O-Malonyl-?-D-glucopyranoside) C25H24O13 532.12169 NA MeJP NA NA +MJ078002 5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) C25H24O13 532.12169 NA MeJP NA NA +MJ078003 Isoorientin; 2'',6''-Di-Ac C25H24O13 532.12169 NA MeJP NA NA +MJ078004 Isoquercitrin; 6''-O-(2-Butenoyl) C25H24O13 532.12169 NA MeJP NA NA +MJ078005 Maackiain, O-(6'-O-Malonyl-?-D-glucopyranoside) C25H24O13 532.12169 NA MeJP NA NA +MJ078006 Orientin; 2'',6''-Di-Ac C25H24O13 532.12169 NA MeJP NA NA +FL1A3CGS0004 6,7,3',4'-Tetrahydroxyaurone 6-(4'',6''-diacetylglucoside) C25H24O13 532.12169 - knapsack NA NA +FL1A3CGS0010 Bidenoside A;6,7,3',4'-Tetrahydroxyaurone 6-O-(3'',6''-di-O-acetylglucoside);Maritimetin 6-O-(3'',6''-di-O-acetylglucoside) C25H24O13 532.12169 698392-68-6 knapsack NA NA +FL3FACCS0011 Orientin 2'',6''-diacetate C25H24O13 532.12169 131507-99-8 knapsack NA NA +FL3FACCS0012 Isoorientin 2'',6''-diacetate;2'',6''-Di-O-acetylisoorientin C25H24O13 532.12169 131507-98-7 knapsack NA NA +FL3FCAGS0003 Apigenin 7-methyl ether 5-(6''-malonylglucoside) C25H24O13 532.12169 130733-29-8 knapsack NA NA +FL5FAAGS0112 Kaempferol 3-(3'',4''-diacetylglucoside) C25H24O13 532.12169 - knapsack NA NA +FLIAABGS0006 Bichanin A 7-O-glucoside-6''-malonate C25H24O13 532.12169 34232-17-2 knapsack NA NA +MetaCyc03786 (-)-maackiain-3-O-glucoside-6''-malonate [trifolirhizin-6''-O-malonat;] C25H24O13 532.121691 NA metacyc NA NA +MetaCyc03787 biochanin A 7-O-(6-O-malonyl-β-D-glucoside) [Biochanin A 7-O-β-D-glucoside 6''-O-malonate;] C25H24O13 532.121691 NA metacyc NA NA +MetaCyc03788 biochanin A-7-O-glucoside-6''-malonate [] C25H24O13 532.121691 NA metacyc NA NA +C12625 Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) C25H24O13 532.1217 NA KEGG NA NA +C16197 Malonylglycitin C25H24O13 532.1217 NA KEGG NA NA +C16231 (-)-Maackiain-3-O-glucosyl-6''-O-malonate C25H24O13 532.1217 NA KEGG NA NA +MJ078007 Cephalochromin; 3-Me C29H24O10 532.136946 NA MeJP NA NA +MJ078008 Trichotomine C30H20N4O6 532.138284 NA MeJP NA NA +C09247 Trichotomine C30H20N4O6 532.1383 NA KEGG NA NA +MJ078009 Sakyomicin E C26H28O10S 532.140317 NA MeJP NA NA +MJ078010 4-Amino-6-[(2-amino-1,6-dimethylpyrimidinium-4-yl)amino]-1,2-dimethylquinolinium(2+); Bis(methyl sulfate) C19H28N6O8S2 532.141003 NA MeJP NA NA +MJ078011 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5-Me ether, 7-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C22H28O15 532.14282 NA MeJP NA NA +MJ078012 5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-Me ether, 5-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C22H28O15 532.14282 NA MeJP NA NA +PJ004103 GCCNH C18H28N8O7S2 532.1523 NA PeJP NA NA +FL3FA9GM0001 5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside C26H28O12 532.15807 - knapsack NA NA +FL3FACCS0063 Orientin 2''-O-(2'''-methylbutyrate) C26H28O12 532.15807 681152-44-3 knapsack NA NA +FL3FACGS0066 Luteolin 7-[6''-(2-methylbutyryl)glucoside];2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[[6-O-(2-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C26H28O12 532.15807 144599-14-4 knapsack NA NA +FL3FFAGS0017 Isoscutellarein 4'-methyl ether 8-(6''-n-butylglucuronide);5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranosiduronic acid butyl ester C26H28O12 532.15807 351223-96-6 knapsack NA NA +MJ078013 2,3,3',4,4'-Pentahydroxylign-7-en-9,9'-olide, 3,4-Methylene, 3'-Me ether, 2-O-?-D-glucopyranoside C26H28O12 532.158076 NA MeJP NA NA +MJ078014 3',4',5,7-Tetrahydroxyflavone; 7-O-[2-Methylbutanoyl-(?6)-?-D-glucopyranoside] C26H28O12 532.158076 NA MeJP NA NA +MJ078015 4',5,7-Trihydroxyisoflavone; 7-O-[Xylosyl-(1??)-glucoside] C26H28O12 532.158076 NA MeJP NA NA +MJ078016 5,7,8-Trihydroxy-4'-methoxyflavone; 8-O-?-D-Glucuronopyranoside, butyl ester C26H28O12 532.158076 NA MeJP NA NA +MJ078017 Antibiotic MM 44787 C26H28O12 532.158076 NA MeJP NA NA +MJ078018 Justisolin; O-?-D-Glucopyranoside C26H28O12 532.158076 NA MeJP NA NA +MJ078019 Leptostachyol; Ac C26H28O12 532.158076 NA MeJP NA NA +C04068 Flavonol 3-O-D-xylosylglucoside C26H28O12 532.1581 NA KEGG NA NA +C04069 Flavonol 3-O-D-xylosylglycoside C26H28O12 532.1581 NA KEGG NA NA +C04193 Flavonol 3-O-D-xylosylgalactoside C26H28O12 532.1581 NA KEGG NA NA +FL1C1LNI0005 Isogemichalcone C;3'-(4-Feruloyloxy-3-methylbutyl-2(E)-enyl)-2,4,2',4'-tetrahydroxychalcone C30H28O9 532.17333 376590-14-6 knapsack NA NA +FL1C1LNI0006 Gemichalcone C;3'-(4-Feruloyloxy-3-methylbutyl-2(Z)-enyl)-2,4,2',4'-tetrahydroxychalcone C30H28O9 532.17333 238750-50-0 knapsack NA NA +FL1CAANP0004 4-Hydroxyrottlerin C30H28O9 532.17333 24593-75-7 knapsack NA NA +MJ078020 Gemichalcone C C30H28O9 532.173332 NA MeJP NA NA +MJ078021 Gnetifolin M C30H28O9 532.173332 NA MeJP NA NA +MJ078022 Gnetifolin O C30H28O9 532.173332 NA MeJP NA NA +MJ078023 Gnetuhainin I C30H28O9 532.173332 NA MeJP NA NA +MJ078024 Gnetuhainin P C30H28O9 532.173332 NA MeJP NA NA +MJ078025 Orientalin C30H28O9 532.173332 NA MeJP NA NA +MJ078026 Rottlerin; 4-Hydroxy C30H28O9 532.173332 NA MeJP NA NA +PJ004104 DMMH C20H32N6O7S2 532.1774 NA PeJP NA NA +PJ004105 GNNND C18H28N8O11 532.1878 NA PeJP NA NA +MJ078027 Maculalactone I; 5-Ketone C34H28O6 532.188588 NA MeJP NA NA +PJ004106 DDHF C23H28N6O9 532.1918 NA PeJP NA NA +FL5FABGI0016 Icaritin 3-rhamnoside C27H32O11 532.19446 108195-76-2 knapsack NA NA +MJ078028 2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Angeloyl, 14-(4-hydroxy-3-methyl-2E-butenoyl), 13-Ac C27H32O11 532.194461 NA MeJP NA NA +MJ078029 3,4:10,14-Diepoxy-2,8-dihydroxy-11(13)-guaien-12,6-olide, 8-O-[2-[(2-Hydroxymethyl-2E-butenoyloxy)methyl]-2E-butenoyl], 2-Ac C27H32O11 532.194461 NA MeJP NA NA +MJ078030 Boronialatenolide C27H32O11 532.194461 NA MeJP NA NA +MJ078031 Loganic acid; 8-Epimer, 7-O-(5-phenyl-2,4-pentadienoyl)(E,E-) C27H32O11 532.194461 NA MeJP NA NA +MJ078032 Phyllamyricoside C C27H32O11 532.194461 NA MeJP NA NA +PJ004107 GPNDM C20H32N6O9S 532.1952 NA PeJP NA NA +PJ004108 CHHH C21H28N10O5S 532.1965 NA PeJP NA NA +MJ078033 Maysine; N-De-Me C27H33ClN2O7 532.197629 NA MeJP NA NA +MJ078034 ?-[[4-[[(1,4-Dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl]-2-propynylamino]-2-fluorobenzoyl]amino]-1H-tetrazole-5-butanoic acid C26H25FN8O4 532.198279 NA MeJP NA NA +PJ004109 GMYY C25H32N4O7S 532.1992 NA PeJP NA NA +MJ078035 Tricordatine; N2-De-Me, 1,2-Didehydro C33H28N2O5 532.199822 NA MeJP NA NA +MJ078036 Gossypol, 6-Me ether C31H32O8 532.209718 NA MeJP NA NA +MJ078037 Isogomisin O; 3-O-De-Me, 7-O-E-cinnamoyl C31H32O8 532.209718 NA MeJP NA NA +PJ004110 PCQW C24H32N6O6S 532.2104 NA PeJP NA NA +PJ004111 QQEE C20H32N6O11 532.2129 NA PeJP NA NA +PJ004112 STYY C25H32N4O9 532.2169 NA PeJP NA NA +MJ078038 Minovincinine, O-(3-Methoxy-4,5-methylenedioxybenzoyl) C30H32N2O7 532.220951 NA MeJP NA NA +PJ004113 NDER C19H32N8O10 532.2242 NA PeJP NA NA +PJ004114 AQEW C24H32N6O8 532.2282 NA PeJP NA NA +C08767 12alpha-Hydroxyamoorstatin C28H36O10 532.2308 NA KEGG NA NA +MJ078039 1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 1-(2,3-Epoxycinnamoyl), 2,9-di-Ac C28H36O10 532.230847 NA MeJP NA NA +MJ078040 1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6-tri-Ac C28H36O10 532.230847 NA MeJP NA NA +MJ078041 1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 2,6,14-tri-Ac C28H36O10 532.230847 NA MeJP NA NA +MJ078042 1,4,6,8,14-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6,14-tri-Ac C28H36O10 532.230847 NA MeJP NA NA +MJ078043 1,4,6,8,9-Pentahydroxydihydro-?-agarofuran, 1-Benzoyl, 6,8,9-tri-Ac C28H36O10 532.230847 NA MeJP NA NA +MJ078044 1,4,6,9,15-Pentahydroxydihydro-?-agarofuran, 1-Benzoyl, 6,9,15-tri-Ac C28H36O10 532.230847 NA MeJP NA NA +MJ078045 1,6,8,9,14-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6,14-tri-Ac C28H36O10 532.230847 NA MeJP NA NA +MJ078046 2,3,5,11,14-Pentahydroxy-12-oxobufa-20,22-dienolide, 2,3-Di-Ac C28H36O10 532.230847 NA MeJP NA NA +MJ078047 Amoorastatone; 12?-Hydroxy C28H36O10 532.230847 NA MeJP NA NA +MJ078048 Amoorstatin; 12?-Hydroxy C28H36O10 532.230847 NA MeJP NA NA +MJ078049 Austalide B; 19?-Acetoxy C28H36O10 532.230847 NA MeJP NA NA +MJ078050 Austalide B; 19?-Hydroxy, 13-Ac C28H36O10 532.230847 NA MeJP NA NA +MJ078051 Esulatin E C28H36O10 532.230847 NA MeJP NA NA +MJ078052 Nomilinic acid C28H36O10 532.230847 NA MeJP NA NA +MJ078053 Xenione; 20-Acetoxy C28H36O10 532.230847 NA MeJP NA NA +MJ078054 Xylarin; 4'-O-De-Me, 4'-Ac C28H36O10 532.230847 NA MeJP NA NA +PJ004115 GPTQM C21H36N6O8S 532.2316 NA PeJP NA NA +PJ004116 GFFY C29H32N4O6 532.2322 NA PeJP NA NA +MJ078055 Syndyphalin 25 C26H36N4O6S 532.235555 NA MeJP NA NA +PJ004117 GDRW C23H32N8O7 532.2394 NA PeJP NA NA +PJ004118 GPTCR C20H36N8O7S 532.2428 NA PeJP NA NA +PJ004119 AAWW C28H32N6O5 532.2434 NA PeJP NA NA +PJ004120 PCKW C25H36N6O5S 532.2468 NA PeJP NA NA +MetaCyc03789 L-alanyl-D-glutamyl-meso-2,6-diaminoheptane-D-alanyl-D-alanine [pentapeptide;] C21H36N6O10 532.249291 NA metacyc NA NA +PJ004121 QKEE C21H36N6O10 532.2493 NA PeJP NA NA +MJ078056 6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C25H40O12 532.251976 NA MeJP NA NA +3980 ACE inhibitor VAGTW 532.252 ACE inhibitor Inhouse_peptide NA peptide +3397 ACE inhibitor (fr, of b-casein, 140-143) LQSW 532.253 celiac toxic Inhouse_peptide NA peptide +MJ078057 Seredamine; O-(3,4,5-Trimethyloxybenzoyl) C31H36N2O6 532.257336 NA MeJP NA NA +PJ004122 TQER C20H36N8O9 532.2605 NA PeJP NA NA +PJ004123 GATER C20H36N8O9 532.2606 NA PeJP NA NA +PJ004124 AKEW C25H36N6O7 532.2646 NA PeJP NA NA +C08854 Calactin C29H40O9 532.2672 NA KEGG NA NA +C08855 Calotropin C29H40O9 532.2672 NA KEGG NA NA +C09716 Roridin A C29H40O9 532.2672 NA KEGG NA NA +MJ078058 2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide, 3-O-(4,6-Dideoxy-?-D-ribo-hexopyranoside) C29H40O9 532.267232 NA MeJP NA NA +MJ078059 3,5,14,19-Tetrahydroxycarda-16,20(22)-dienolide, 19-Aldehyde, 3-O-?-D-digitoxoside C29H40O9 532.267232 NA MeJP NA NA +MJ078060 3,5,14-Trihydroxy-19-oxocarda-6,20(22)-dienolide, 3-O-(2,6-Dideoxy-?-D-xylo-hexopyranoside) C29H40O9 532.267232 NA MeJP NA NA +MJ078061 3-Hydroxy-19-oxocarda-14,20(22)-dienolide, 3-O-?-D-Glucopyranoside C29H40O9 532.267232 NA MeJP NA NA +MJ078062 Elaeodendroside S C29H40O9 532.267232 NA MeJP NA NA +MJ078063 Gomphoside; 15?-Hydroxy, 5,6-didehydro C29H40O9 532.267232 NA MeJP NA NA +MJ078064 Gomphoside; 19-Oxo C29H40O9 532.267232 NA MeJP NA NA +MJ078065 Gomphoside; 3'-Epimer, 19-oxo C29H40O9 532.267232 NA MeJP NA NA +MJ078066 Ingol; 12-Tigloyl, 3,7-di-Ac C29H40O9 532.267232 NA MeJP NA NA +MJ078067 Ingol; 7-Tigloyl, 3,12-di-Ac C29H40O9 532.267232 NA MeJP NA NA +MJ078068 Ingol; 8-Tigloyl, 3,12-di-Ac C29H40O9 532.267232 NA MeJP NA NA +MJ078069 Miotoxin D C29H40O9 532.267232 NA MeJP NA NA +MJ078070 Roridin A C29H40O9 532.267232 NA MeJP NA NA +MJ078071 Trichoverrol A; 15-O-(E-5-Hydroxy-3-methyl-2-pentenoyl) C29H40O9 532.267232 NA MeJP NA NA +MJ078072 Trichoverrol A; 15-O-(E-5-Hydroxy-3-methyl-3-pentenoyl) C29H40O9 532.267232 NA MeJP NA NA +MJ078073 Trichoverrol A; 2'E,4'Z-Isomer, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) C29H40O9 532.267232 NA MeJP NA NA +MJ078074 Trichoverrol A; 2'E-Isomer, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) C29H40O9 532.267232 NA MeJP NA NA +MJ078075 Trichoverrol A; 6',7'-Diepimer, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) C29H40O9 532.267232 NA MeJP NA NA +MJ078076 Trichoverrol A; 6'-Epimer, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) C29H40O9 532.267232 NA MeJP NA NA +MJ078077 Trichoverrol A; 7'-Epimer, 15-O-(E-5-Hydroxy-3-methyl-2-pentenoyl) C29H40O9 532.267232 NA MeJP NA NA +MJ078078 Trichoverrol A; 7'-Epimer, 2'E,4'Z-isomer, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) C29H40O9 532.267232 NA MeJP NA NA +MJ078079 Trichoverrol A; 7'-Epimer, 2'E-isomer, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) C29H40O9 532.267232 NA MeJP NA NA +PJ004125 GPTKM C22H40N6O7S 532.2679 NA PeJP NA NA +PJ004126 GGGVLM C22H40N6O7S 532.268 NA PeJP NA NA +MJ078080 1-[2-(Dimethylamino)-1-oxo-3-phenylpropyl]-2,3,3a,13a,14,15,16,18a-octahydro-8-methoxy-5,9-metheno-9H-dipyrrolo[3,2-b:1',2'-e][1,5,8]oxadiazacyclopentadecine-13,18(1H,12H)-dione C30H36N4O5 532.26857 NA MeJP NA NA +PJ004127 SDRR C19H36N10O8 532.2718 NA PeJP NA NA +PJ004128 ATRW C24H36N8O6 532.2758 NA PeJP NA NA +MJ078081 Antibiotic C 33196E4 C28H40N2O8 532.278466 NA MeJP NA NA +MJ078082 Antibiotic C 33196E6R C28H40N2O8 532.278466 NA MeJP NA NA +MJ078083 Antibiotic C 33196E7R C28H40N2O8 532.278466 NA MeJP NA NA +PJ004129 VQMR C21H40N8O6S 532.2792 NA PeJP NA NA +8198 f(92-100) of bovine b-lactoglobulin VLVLDTDYK 532.2809 MH2+ Inhouse_peptide NA peptide +MJ078084 Hanburin C33H40O6 532.282489 NA MeJP NA NA +C08185 Triamcinolone hexacetonide C30H41FO7 532.2836 NA KEGG NA NA +MJ078085 Triamcinolone; 16,17-Acetone ketal, 21-(3,3-dimethylbutanoyl) C30H41FO7 532.283631 NA MeJP NA NA +PJ004130 KKEE C22H40N6O9 532.2857 NA PeJP NA NA +PJ004131 AMRR C20H40N10O5S 532.2904 NA PeJP NA NA +PJ004132 TKER C21H40N8O8 532.2969 NA PeJP NA NA +PJ004133 SLKW C26H40N6O6 532.3009 NA PeJP NA NA +PJ004134 VTKW C26H40N6O6 532.301 NA PeJP NA NA +C08801 Cucurbitacin J C30H44O8 532.3036 NA KEGG NA NA +C09185 Simplexin C30H44O8 532.3036 NA KEGG NA NA +MJ078086 18,19-Epoxy-3,12,14-clerodatriene-2,7,18,19-tetrol, 7,19-Dibutanoyl, 18-Ac C30H44O8 532.303618 NA MeJP NA NA +MJ078087 18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 6-Me ether, 2-(2-methylbutanoyl), 18,19-di-Ac C30H44O8 532.303618 NA MeJP NA NA +MJ078088 2,16,20,24,25-Pentahydroxycucurbit-5-ene-3,11,22-trione, 2-Ketone C30H44O8 532.303618 NA MeJP NA NA +MJ078089 2,3,14-Trihydroxycarda-16,20(22)-dienolide, 3-O-[2,6-Dideoxy-3-O-methyl-?-D-lyxo-hexopyranoside] C30H44O8 532.303618 NA MeJP NA NA +MJ078090 2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,15,22-trione C30H44O8 532.303618 NA MeJP NA NA +MJ078091 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-D-ribo-hexopyranoside) C30H44O8 532.303618 NA MeJP NA NA +MJ078092 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-D-xylo-hexopyranoside) C30H44O8 532.303618 NA MeJP NA NA +MJ078093 3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-D-Digitaloside C30H44O8 532.303618 NA MeJP NA NA +MJ078094 3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-[3-O-Methyl-?-L-rhamnopyranoside] C30H44O8 532.303618 NA MeJP NA NA +MJ078095 3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-[6-Deoxy-3-O-methyl-?-D-glucopyranoside] C30H44O8 532.303618 NA MeJP NA NA +MJ078096 3,14-Dihydroxycarda-4,20(22)-dienolide, 3-(3-O-Methyl-L-rhamnoside) C30H44O8 532.303618 NA MeJP NA NA +MJ078097 3,7,12,23-Tetrahydroxy-11,15-dioxolanosta-8,24-dien-26-oic acid C30H44O8 532.303618 NA MeJP NA NA +MJ078098 3,7,12-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid C30H44O8 532.303618 NA MeJP NA NA +MJ078099 3,7,20-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid C30H44O8 532.303618 NA MeJP NA NA +MJ078100 4(20),11-Taxadiene-2,5,10,14-tetrol, 14-(2-Methylpropanoyl), 2,5,10-tri-Ac C30H44O8 532.303618 NA MeJP NA NA +MJ078101 5,6,14,17,20-Pentahydroxy-1-oxowitha-2,24-dienolide, 5-Et ether C30H44O8 532.303618 NA MeJP NA NA +MJ078102 Cerleaside A C30H44O8 532.303618 NA MeJP NA NA +MJ078103 Cochlioquinone A C30H44O8 532.303618 NA MeJP NA NA +MJ078104 Gnidilatin; De(benzoyloxy) C30H44O8 532.303618 NA MeJP NA NA +MJ078105 Isocochlioquinone A C30H44O8 532.303618 NA MeJP NA NA +MJ078106 Kraussianin; 28-Deoxy, 3-debenzoyl, 3-ketone C30H44O8 532.303618 NA MeJP NA NA +MJ078107 Kraussianin; 3-Debenzoyloxy, 3-oxo, 28-deoxy C30H44O8 532.303618 NA MeJP NA NA +MJ078108 Lurlenic acid C30H44O8 532.303618 NA MeJP NA NA +MJ078109 Oleagenin; D-Digitaloside C30H44O8 532.303618 NA MeJP NA NA +MJ078110 Pseudolarolide I C30H44O8 532.303618 NA MeJP NA NA +MJ078111 Thevetiogenin; 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside) C30H44O8 532.303618 NA MeJP NA NA +MJ078112 Thevetiogenin; 3-O-[3-O-Methyl-?-L-rhamnopyranoside] C30H44O8 532.303618 NA MeJP NA NA +PJ004135 AALKM C23H44N6O6S 532.3043 NA PeJP NA NA +MJ078113 Nummularine G C31H40N4O4 532.304955 NA MeJP NA NA +MJ078114 5beta-Cyprinolsulfate C27H48O8S 532.306989 NA MeJP NA NA +MJ078115 Cholestane-3,5,6,15,16-pentol, 16-Sulfate C27H48O8S 532.306989 NA MeJP NA NA +MJ078116 Cholestane-3,5,6,15,24-pentol, 15-Sulfate C27H48O8S 532.306989 NA MeJP NA NA +MJ078117 Cholestane-3,5,6,15,26-pentol, 26-Sulfate C27H48O8S 532.306989 NA MeJP NA NA +MJ078118 Cholestane-3,6,8,15,24-pentol, 24-Sulfate C27H48O8S 532.306989 NA MeJP NA NA +MJ078119 Cholestane-3,6,8,15,24-pentol, 6-Sulfate C27H48O8S 532.306989 NA MeJP NA NA +MJ078120 Cholestane-3,7,11,26,27-pentol, 26-Sulfate (25R-) C27H48O8S 532.306989 NA MeJP NA NA +MJ078121 Cholestane-3,7,11,26,27-pentol, 26-Sulfate (25S-) C27H48O8S 532.306989 NA MeJP NA NA +MJ078122 Cholestane-3,7,12,26,27-pentol, 26-O-Sulfate (25R-) C27H48O8S 532.306989 NA MeJP NA NA +MJ078123 Cholestane-3,7,12,26,27-pentol, 26-O-Sulfate (25S-) C27H48O8S 532.306989 NA MeJP NA NA +MJ078124 Cholestane-3,7,12,26,27-pentol, 26-O-Sulfate C27H48O8S 532.306989 NA MeJP NA NA +C05468 5beta-Cyprinolsulfate C27H48O8S 532.307 NA KEGG NA NA +HMDB06888 5b-Cyprinol sulfate C27H48O8S 532.307007 NA HMDB2010 NA NA +HMDB06888 5b-Cyprinol sulfate C27H48O8S 532.30701 http://www.hmdb.ca/metabolites/HMDB06888 HMDB NA NA +HMDB06888 5b-Cyprinol sulfate C27H48O8S 532.30701 HMDB06888 PFEM_hmdb_metabocards_official NA NA +PJ004136 TTRR C20H40N10O7 532.3082 NA PeJP NA NA +PJ004137 VKMR C22H44N8O5S 532.3156 NA PeJP NA NA +MJ078125 Antibiotic IC 202B C23H44N6O8 532.322062 NA MeJP NA NA +PJ004138 ATTLK C23H44N6O8 532.3221 NA PeJP NA NA +C17713 dl-alpha-Tocopheryl sodium phosphate C29H50NaO5P 532.3294 NA KEGG NA NA +MJ078126 1,3,24-Trihydroxycycloart-25-ene-21,28-dioic acid, 28-Me ester C31H48O7 532.340003 NA MeJP NA NA +MJ078127 1,3,25-Trihydroxy-21-oxocycloart-23-en-28-oic acid, 25-Hydroperoxide, Me ester C31H48O7 532.340003 NA MeJP NA NA +MJ078128 2,3,16-Trihydroxy-12-oleanene-23,28-dioic acid, 23-Me ester C31H48O7 532.340003 NA MeJP NA NA +MJ078129 2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 30-Me ester C31H48O7 532.340003 NA MeJP NA NA +MJ078130 3,19,23,24-Tetrahydroxy-12-ursen-28-oic acid, 23-Carboxylic acid, 23-Me ester C31H48O7 532.340003 NA MeJP NA NA +MJ078131 4,16,18,22-Tetrahydroxycholest-4-en-3-one, 16,18-Di-Ac C31H48O7 532.340003 NA MeJP NA NA +MJ078132 5,12,14-Trihydroxy-3-cedren-15-oic acid, 14-Aldehyde, 5-O-(16-hydroxy-9Z-hexadecenoyl) C31H48O7 532.340003 NA MeJP NA NA +MJ078133 Cabraleahydroxylactone; 17?-Hydroxy, 12?-acetoxy, 3-Ac C31H48O7 532.340003 NA MeJP NA NA +MJ078134 Cephalosporin P1; 6-Deacetyl C31H48O7 532.340003 NA MeJP NA NA +MJ078135 Viburnol G C31H48O7 532.340003 NA MeJP NA NA +MJ078136 Viburnol I C31H48O7 532.340003 NA MeJP NA NA +MJ078137 Antibiotic M 9026; Antibiotic M 9026-3 C30H48N2O6 532.351237 NA MeJP NA NA +MJ078138 Kazinol C; O3''-(3-Methyl-2-butenyl) C35H48O4 532.35526 NA MeJP NA NA +MJ078139 Buxaminol I; N20-Me, N3-benzoyl, 16-Ac C34H48N2O3 532.366493 NA MeJP NA NA +MJ078140 11,23,24,25-Tetrahydroxyprotost-13(17)-en-3-one, 24-Ac C32H52O6 532.376389 NA MeJP NA NA +MJ078141 11,23,24,25-Tetrahydroxyprotost-13(17)-en-3-one, 23-Ac C32H52O6 532.376389 NA MeJP NA NA +MJ078142 12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 16-O-(3-Hydroxypentanoyl) C32H52O6 532.376389 NA MeJP NA NA +MJ078143 12,16-Dihydroxy-20,24-dimethyl-25-nor-24-scalaranone, 16-(3-Hydroxybutanoyl), 12-Ac C32H52O6 532.376389 NA MeJP NA NA +MJ078144 12-Oleanene-3,16,21,22,28-pentol, 28-Ac C32H52O6 532.376389 NA MeJP NA NA +MJ078145 12-Ursene-1,2,3,11,20-pentol, 3-Ac C32H52O6 532.376389 NA MeJP NA NA +MJ078146 13,28-Epoxy-3,16,22,28-oleananetetrol, 22-Ac C32H52O6 532.376389 NA MeJP NA NA +MJ078147 17,24:20,24-Diepoxydammarane-3,12,25-triol, 12-Ac C32H52O6 532.376389 NA MeJP NA NA +MJ078148 17,24:20,24-Diepoxydammarane-3,12,25-triol, 3-Ac C32H52O6 532.376389 NA MeJP NA NA +MJ078149 21,23-Epoxydammar-9(11)-ene-3,7,21,25-tetrol, 3-Ac C32H52O6 532.376389 NA MeJP NA NA +MJ078150 3,11,15,29-Tetrahydroxystigmast-5-en-7-one, 3-Propanoyl C32H52O6 532.376389 NA MeJP NA NA +MJ078151 6,16,22-Trihydroxy-24-hopanoic acid, 6-Ac C32H52O6 532.376389 NA MeJP NA NA +MJ078152 Antibiotic FD 892 C32H52O6 532.376389 NA MeJP NA NA +MJ078153 Aphananin C32H52O6 532.376389 NA MeJP NA NA +MJ078154 Chisocheton compound B C32H52O6 532.376389 NA MeJP NA NA +MJ078155 Dictyostatin 1 C32H52O6 532.376389 NA MeJP NA NA +C15908 Chlorobactene C40H52 532.4069 NA KEGG NA NA +C16340 beta-Isorenieratene C40H52 532.4069 NA KEGG NA NA +MJ078156 3,3',4,4'-Tetradehydro-?,?-carotene C40H52 532.406901 NA MeJP NA NA +MJ078157 Agelaxanthin A; Deoxy C40H52 532.406901 NA MeJP NA NA +MJ078158 Chlorobactene C40H52 532.406901 NA MeJP NA NA +MJ078159 3,11-Dihydroxy-7-drimen-6-one, 3-Deoxy, 7?,8?-epoxy, 11-(6-oxooctadecanoyl) C33H56O5 532.412774 NA MeJP NA NA +MJ078160 5,20-Dipropyl-1,16-dioxa-4,19-diazacyclotriaconta-7,10,22,25-tetraene-15,30-dione; 7,8-Dihydro C32H56N2O4 532.424008 NA MeJP NA NA +C05802 2-Hexaprenyl-6-methoxyphenol C37H56O2 532.428 NA KEGG NA NA +HMDB06817 2-Hexaprenyl-6-methoxyphenol C37H56O2 532.42804 http://www.hmdb.ca/metabolites/HMDB06817 HMDB NA NA +HMDB06817 2-Hexaprenyl-6-methoxyphenol C37H56O2 532.42804 HMDB06817 PFEM_hmdb_metabocards_official NA NA +HMDB06817 2-Hexaprenyl-6-methoxyphenol C37H56O2 532.42804 NA HMDB2010 NA NA +MJ078161 1-Tricosene-4,6,8,10,12,14,20-heptol, Hepta-Me ether C30H60O7 532.433904 NA MeJP NA NA +MJ078162 16,17,19-Kauranetriol, 19-Tetradecanoyl C34H60O4 532.44916 NA MeJP NA NA +MJ078163 Reticulatamol; 15-Ketone C35H64O3 532.485545 NA MeJP NA NA +MJ078164 9-Octadecenyl 9-octadecenoate C36H68O2 532.521931 NA MeJP NA NA +MJ078165 28-Heptatriaconten-2-one C37H72O 532.558316 NA MeJP NA NA +7310 celiac sprue gluten epitope from gamma-gliadin PFPQPQQPQ 532.754 MH2+ Inhouse_peptide NA peptide +7364 celiac sprue gluten epitope found in hordein PQPFPQQPQ 532.754 MH2+ Inhouse_peptide NA peptide +2897 neuropeptide from eyestalk of Macrobrachium rosenb TNRNFLRF~ 532.7854 MH2+ Inhouse_peptide NA peptide +PJ004139 CCCCC C15H27N5O6S5 533.0565 NA PeJP NA NA +MJ078166 CDP-3,6-dideoxy-D-glucose C15H25N3O14P2 533.081175 NA MeJP NA NA +MJ078167 CDP-3,6-dideoxy-D-mannose C15H25N3O14P2 533.081175 NA MeJP NA NA +MetaCyc03790 CDP-abequose [CDPabequose;] C15H25N3O14P2 533.081176 NA metacyc NA NA +MetaCyc03791 CDP-3,6-dideoxy-D-mannose [4-amino-1-[5-[[[(3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl) oxy-hydroxy-phosphinoyl]oxy-hydroxy-phosphinoyl]oxymethyl]-3,4- dihydroxy-tetrahydrofuran-2-yl]-1H-pyrimidin-2-one;] C15H25N3O14P2 533.081176 NA metacyc NA NA +MetaCyc03792 CDP-3,6-dideoxy-D-glucose [4-amino-1-[5-[[[(3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl) oxy-hydroxy-phosphinoyl]oxy-hydroxy-phosphinoyl]oxymethyl]-3,4- dihydroxy-tetrahydrofuran-2-yl]-1H-pyrimidin-2-one;] C15H25N3O14P2 533.081176 NA metacyc NA NA +C01788 CDP-abequose C15H25N3O14P2 533.0812 NA KEGG NA NA +C03598 CDP-3,6-dideoxy-D-glucose C15H25N3O14P2 533.0812 NA KEGG NA NA +C03599 CDP-3,6-dideoxy-D-mannose C15H25N3O14P2 533.0812 NA KEGG NA NA +C17327 CDP-ascarylose C15H25N3O14P2 533.0812 NA KEGG NA NA +PJ004140 GCCDH C18H27N7O8S2 533.1363 NA PeJP NA NA +C17752 cyclo-Dopa-glucuronylglucoside C21H27NO15 533.1381 NA KEGG NA NA +PJ004141 PPCCD C20H31N5O8S2 533.1614 NA PeJP NA NA +PJ004142 GNNDD C18H27N7O12 533.1718 NA PeJP NA NA +PJ004143 GSCMH C19H31N7O7S2 533.1727 NA PeJP NA NA +PJ004144 GPDDM C20H31N5O10S 533.1792 NA PeJP NA NA +MJ078168 Alangiside; ?8a,12a-Isomer, 13,13a-didehydro, 9R-methoxy C26H31NO11 533.18971 NA MeJP NA NA +MJ078169 Alangiside; ?8a,12a-Isomer, 13,13a-didehydro, 9S-methoxy C26H31NO11 533.18971 NA MeJP NA NA +PJ004145 SSTCH C19H31N7O9S 533.1904 NA PeJP NA NA +PJ004146 PCEW C24H31N5O7S 533.1944 NA PeJP NA NA +MJ078170 Lysodectose C19H35NO16 533.195584 NA MeJP NA NA +PJ004147 QEEE C20H31N5O12 533.1969 NA PeJP NA NA +PJ004148 AADEE C20H31N5O12 533.197 NA PeJP NA NA +PJ004149 SPPCM C21H35N5O7S2 533.1978 NA PeJP NA NA +MetaCyc03793 curcumin monoglucoside [] C27H33O11 533.202287 NA metacyc NA NA +MJ078171 Astin E; 1'''-Deoxy C25H32ClN5O6 533.204111 NA MeJP NA NA +MJ078172 Rocaglatic acid; 1-Ac, methylamide C30H31NO8 533.204966 NA MeJP NA NA +PJ004150 CQHF C23H31N7O6S 533.2057 NA PeJP NA NA +PJ004151 DDER C19H31N7O11 533.2082 NA PeJP NA NA +MJ078173 Tefenperate C29H37Cl2NO4 533.209964 NA MeJP NA NA +PJ004152 AEEW C24H31N5O9 533.2122 NA PeJP NA NA +PJ004153 GPTEM C21H35N5O9S 533.2156 NA PeJP NA NA +PJ004154 SNQW C23H31N7O8 533.2234 NA PeJP NA NA +MJ078174 Harringtonine; 1''S-Hydroxy, parent acid C27H35NO10 533.226096 NA MeJP NA NA +PJ004155 QQQM C20H35N7O8S 533.2268 NA PeJP NA NA +PJ004156 PTMW C25H35N5O6S 533.2308 NA PeJP NA NA +PJ004157 KEEE C21H35N5O11 533.2333 NA PeJP NA NA +PJ004158 GPVMM C22H39N5O6S2 533.2342 NA PeJP NA NA +PJ004159 GSPHH C22H31N9O7 533.2347 NA PeJP NA NA +PJ004160 NNMR C19H35N9O7S 533.238 NA PeJP NA NA +PJ004161 GGGGMR C19H35N9O7S 533.2381 NA PeJP NA NA +MJ078175 Cossonine C31H35NO7 533.241352 NA MeJP NA NA +MJ078176 Cytochalasin V C31H35NO7 533.241352 NA MeJP NA NA +MJ078177 Hetidine; O3-(4-Methoxybenzoyl), O2-Ac C31H35NO7 533.241352 NA MeJP NA NA +MJ078178 Hetisan-1,2,11,13-tetrol, 11-Benzoyl, 1,2-di-Ac C31H35NO7 533.241352 NA MeJP NA NA +MJ078179 Hetisan-1,2,11,13-tetrol, 2-Benzoyl, 1,11-di-Ac C31H35NO7 533.241352 NA MeJP NA NA +MJ078180 Hetisan-1,2,9,15-tetrol, 2-Benzoyl, 1,15-di-Ac C31H35NO7 533.241352 NA MeJP NA NA +PJ004162 CKHF C24H35N7O5S 533.2421 NA PeJP NA NA +PJ004163 TEER C20H35N7O10 533.2446 NA PeJP NA NA +PJ004164 PMMR C21H39N7O5S2 533.2454 NA PeJP NA NA +MJ078181 Plicacetin; 3'?-Hydroxy C25H35N5O8 533.248563 NA MeJP NA NA +PJ004165 SLEW C25H35N5O8 533.2486 NA PeJP NA NA +PJ004166 AALEM C22H39N5O8S 533.252 NA PeJP NA NA +PJ004167 GSSQR C19H35N9O9 533.2558 NA PeJP NA NA +PJ004168 SNKW C24H35N7O7 533.2598 NA PeJP NA NA +MJ078182 Dictyocarpinine; 2,3-Didehydro, O16-de-Me, 14-Me ether, 6,16-di-Ac C28H39NO9 533.262481 NA MeJP NA NA +7330 celiac sprue gluten epitope from gamma-gliadin QIPQTQQPQ 533.2625 MH2+ Inhouse_peptide NA peptide +7392 celiac sprue gluten epitope found in hordein QQTIPQQPQ 533.2625 MH2+ Inhouse_peptide NA peptide +PJ004169 VEMR C21H39N7O7S 533.2632 NA PeJP NA NA +MJ078183 Ergobutine C29H35N5O5 533.263819 NA MeJP NA NA +MJ078184 Ergovaline C29H35N5O5 533.263819 NA MeJP NA NA +7359 celiac sprue gluten epitope found in hordein PIPQQPQPY 533.2645 MH2+ Inhouse_peptide NA peptide +PJ004170 VVMW C26H39N5O5S 533.2672 NA PeJP NA NA +PJ004171 ATTLE C22H39N5O10 533.2697 NA PeJP NA NA +PJ004172 LQHH C23H35N9O6 533.2711 NA PeJP NA NA +2920 neuropeptide from eyestalk of Macrobrachium rosenb ADKNFLRFG 533.27135 MH2+ Inhouse_peptide NA peptide +PJ004173 CQKR C20H39N9O6S 533.2744 NA PeJP NA NA +EUR858 Lyso PE 18:4 [M-H+acetate]- C23H40NO7P 533.275342 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR858 Lyso PE 18:4 [M-H+acetate]- C23H40NO7P 533.275342 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR858 Lyso PE 18:4 [M-H+acetate]- C23H40NO7P 533.275342 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR858 Lyso PE 18:4 [M-H+acetate]- C23H40NO7P 533.275342 masses lipides attendues Inhousejuil11 NA NA +PJ004174 GTTQK C21H39N7O9 533.2809 NA PeJP NA NA +PJ004175 GSDKK C21H39N7O9 533.281 NA PeJP NA NA +PJ004176 AAPLY C26H39N5O7 533.285 NA PeJP NA NA +PJ004177 GTLLM C23H43N5O7S 533.2883 NA PeJP NA NA +MJ078185 Roehybridine C31H39N3O5 533.288971 NA MeJP NA NA +PJ004178 GSSKR C20H39N9O8 533.2922 NA PeJP NA NA +PJ004179 PVRY C25H39N7O6 533.2962 NA PeJP NA NA +PJ004180 QKKM C22H43N7O6S 533.2996 NA PeJP NA NA +PJ004181 STTLL C23H43N5O9 533.3061 NA PeJP NA NA +PJ004182 LKHH C24H39N9O5 533.3074 NA PeJP NA NA +PJ004183 CKKR C21H43N9O5S 533.3108 NA PeJP NA NA +PJ004184 GTTKK C22H43N7O8 533.3173 NA PeJP NA NA +3670 NA KGWHKRKK 533.3175 MH2+ Inhouse_peptide NA peptide +PJ004185 AALLF C27H43N5O6 533.3214 NA PeJP NA NA +PJ004186 VLFR C26H43N7O5 533.3326 NA PeJP NA NA +PJ004187 KKKM C23H47N7O5S 533.336 NA PeJP NA NA +EUR756 Lyso PC 20:2 [M-H-CH3]- C28H54NO7P 533.348142 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR899 Lyso PE 22:2 monoisotopic mass C27H52NO7P 533.348142 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR756 Lyso PC 20:2 [M-H-CH3]- C28H54NO7P 533.348142 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR899 Lyso PE 22:2 monoisotopic mass C27H52NO7P 533.348142 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR756 Lyso PC 20:2 [M-H-CH3]- C28H54NO7P 533.348142 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR899 Lyso PE 22:2 monoisotopic mass C27H52NO7P 533.348142 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR756 Lyso PC 20:2 [M-H-CH3]- C28H54NO7P 533.348142 masses lipides attendues Inhousejuil11 NA NA +EUR899 Lyso PE 22:2 monoisotopic mass C27H52NO7P 533.348142 masses lipides attendues Inhousejuil11 NA NA +HMDB11492 LysoPE(0:0/22:2(13Z,16Z)) C27H52NO7P 533.348145 NA HMDB2010 NA NA +HMDB11522 LysoPE(22:2(13Z,16Z)/0:0) C27H52NO7P 533.348145 NA HMDB2010 NA NA +MJ078186 Droxinavir C29H51N5O4 533.394105 NA MeJP NA NA +MJ078187 2-Amino-4,8,10-octadecatriene-1,3-diol, N-Hexadecanoyl C34H63NO3 533.480794 NA MeJP NA NA +MJ078188 2,3,6-Tribromo-4,5-dihydroxybenzyl alcohol; 1',4-Disulfate C7H5Br3O9S2 533.692511 NA MeJP NA NA +3106 adrenocorticotropin hormone Y fr:4-9 YMEHFRW 533.7257 MH2+ Inhouse_peptide NA peptide +7382 celiac sprue gluten epitope found in hordein QQPFPQQPV 533.762 MH2+ Inhouse_peptide NA peptide +C07574 Tartrazine C16H9N4O9S2 533.9504 NA KEGG NA NA +MJ078189 [1,1':3',1''-Terphenyl]-2,2',2'',4,4',4'',6,6',6''-nonol; 2,2''-Di-O-sulfate C18H14O15S2 533.977411 NA MeJP NA NA +MJ078190 Citorellamine C22H24Br2N4S 534.008842 NA MeJP NA NA +C16155 UDP-L-Ara4O C14H20N2O16P2 534.0288 NA KEGG NA NA +MetaCyc03794 UDP-L-Ara4O [UDP-4-keto-pyranose;uridine 5'-β-L-threo-pentapyranosyl-4-ulose diphosphate;''] C14H20N2O16P2 534.028806 NA metacyc NA NA +MJ078191 2,4,6-Trichloro-5-methyl-1,3-benzenediol; 1-Me ether, 3-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C19H25Cl3O11 534.046244 NA MeJP NA NA +MJ078192 Hypericincarboxylic acid C30H14O10 534.058696 NA MeJP NA NA +MetaCyc03795 dUDP-L-rhamnose [dUDP-rhamnose;] C15H24N2O15P2 534.065191 NA metacyc NA NA +MJ078193 Xanthone 411P; 2',3'-Dihydro C27H18O12 534.079826 NA MeJP NA NA +FL3FACGS0001 Luteolin 7-O-(6''-malonylglucoside) C24H22O14 534.10095 98767-38-5 knapsack NA NA +FL3FACGS0054 Luteolin 5-(6''-malonylglucoside) C24H22O14 534.10095 130733-27-6 knapsack NA NA +FL3FACGS0060 Luteolin 7-(2''-glucuronosyllactate) C24H22O14 534.10095 126394-91-0 knapsack NA NA +FL3FEAGS0014 Scutellarein 7-(6''-malonylglucoside) C24H22O14 534.10095 127350-67-8 knapsack NA NA +FL5FAAGA0028 Kaempferol 3-(6''-malonylgalactoside) C24H22O14 534.10095 81202-52-0 knapsack NA NA +FL5FAAGL0062 Kaempferol 3-(6''-malonylglucoside) C24H22O14 534.10095 81149-02-2 knapsack NA NA +FL5FACGS0090 Quercetin 3-(4''-malonylrhamnoside);3-[[4-O-(Carboxyacetyl)-6-deoxy-alpha-L-mannopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C24H22O14 534.10095 354527-08-5 knapsack NA NA +FL5FECGS0039 5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide C24H22O14 534.10095 - knapsack NA NA +FLIAACGS0003 Orobol 7-O-(6''-malonylglucoside) C24H22O14 534.10095 92632-64-9 knapsack NA NA +MJ078194 2',4',5,7-Tetrahydroxyisoflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) C24H22O14 534.100955 NA MeJP NA NA +MJ078195 3',4',5,7-Tetrahydroxyflavone; 5-O-(6-O-Malonyl-?-D-glucopyranoside) C24H22O14 534.100955 NA MeJP NA NA +MJ078196 3',4',5,7-Tetrahydroxyflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) C24H22O14 534.100955 NA MeJP NA NA +MJ078197 3,3',4',5,6,7-Hexahydroxyflavone; 6,7-Methylene, 3,3'-di-Me ether, 4'-O-?-D-glucuronopyranoside C24H22O14 534.100955 NA MeJP NA NA +MJ078198 4',5,6,7-Tetrahydroxyflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) C24H22O14 534.100955 NA MeJP NA NA +MJ078199 Astragalin; 6''-O-Malonoyl C24H22O14 534.100955 NA MeJP NA NA +MJ078200 Quercitrin; 4''-O-Malonyl C24H22O14 534.100955 NA MeJP NA NA +MJ078201 Trifolin; 6''-O-Malonyl C24H22O14 534.100955 NA MeJP NA NA +MJ078202 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(3-O-Malonyl-?-D-glucopyranoside) C24H23O14(+) 534.100955 NA MeJP NA NA +MJ078203 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside) C24H23O14(+) 534.100955 NA MeJP NA NA +C10103 Luteolin 7-O-(6''-malonylglucoside) C24H22O14 534.101 NA KEGG NA NA +MJ078204 Rocepafant C26H23ClN6OS2 534.106328 NA MeJP NA NA +MJ078205 Didethiodi(methylthio)acetylaranotin C24H26N2O8S2 534.113057 NA MeJP NA NA +MJ078206 Nocardicin A; 3'-Chloro C23H23ClN4O9 534.115356 NA MeJP NA NA +MJ078207 1,2-Dihydroxyanthraquinone; 2-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C25H26O13 534.13734 NA MeJP NA NA +MJ078208 2',3,3',4,4'-Pentahydroxychalcone, 4'-O-(3,4-Di-O-acetyl-?-D-glucopyranoside) C25H26O13 534.13734 NA MeJP NA NA +MJ078209 2',3,3',4,4'-Pentahydroxychalcone, 4'-O-(3,6-Di-O-acetyl-?-D-glucopyranoside) C25H26O13 534.13734 NA MeJP NA NA +MJ078210 2',3,3',4,4'-Pentahydroxychalcone, 4'-O-(4,6-Di-O-acetyl-?-D-glucopyranoside) C25H26O13 534.13734 NA MeJP NA NA +MJ078211 3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, 4-O-?-D-Glucopyranoside, 9'-Me ester C25H26O13 534.13734 NA MeJP NA NA +MJ078212 3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Glucuronopyranoside, butyl ester C25H26O13 534.13734 NA MeJP NA NA +MJ078213 3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-(6-O-Acetyl-?-D-glucopyranoside) C25H26O13 534.13734 NA MeJP NA NA +MJ078214 6,8-Di-C-pentosylapigenin C25H26O13 534.13734 NA MeJP NA NA +MJ078215 6,8-Diarabinopyranosyl-4',5,7-trihydroxyflavone C25H26O13 534.13734 NA MeJP NA NA +MJ078216 6,9-Dihydroxy-2,3,10-trimethoxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one; 9-O-?-D-Glucopyranoside C25H26O13 534.13734 NA MeJP NA NA +MJ078217 6-Glucosyl-5,7-dihydroxy-2-isopropyl-4H-1-benzopyran-4-one; 2'-O-(3,4,5-Trihydroxybenzoyl) C25H26O13 534.13734 NA MeJP NA NA +MJ078218 8-Arabinopyranosyl-4',5,7-trihydroxy-6-xylopyranosylflavone C25H26O13 534.13734 NA MeJP NA NA +MJ078219 8-Glucosyl-5,7-dihydroxy-2-isopropyl-4H-1-benzopyran-4-one; 2'-O-(3,4,5-Trihydroxybenzoyl) C25H26O13 534.13734 NA MeJP NA NA +MJ078220 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-(6-O-Acetyl-?-D-glucopyranoside) C25H27O13(+) 534.13734 NA MeJP NA NA +FL1C3CGS0021 Okanin 4'-O-(4'',6''-di-O-acetylglucoside);3,4,2',3',4'-Pentahydroxychalcone 4'-O-(4'',6''-di-O-acetylglucoside) C25H26O13 534.13734 194600-20-9 knapsack NA NA +FL3FAACS0011 6-C-beta-D-Xylopyranosyl-8-C-alpha-L-arabinopyranosylapigenin C25H26O13 534.13734 85700-46-5 knapsack NA NA +FL3FAACS0045 6,8-Di-C-alpha-L-arabinopyranosylapigenin C25H26O13 534.13734 73140-47-3 knapsack NA NA +FL3FAACS0046 6,8-Di-C-beta-D-arabinopyranosylapigenin C25H26O13 534.13734 107911-03-5 knapsack NA NA +FL3FAACS0068 6-C-alpha-L-Arabinopyranosyl-8-C-beta-L-arabinopyranosylapigenin C25H26O13 534.13734 677021-29-3 knapsack NA NA +FL3FAACS0069 6-O-beta-L-Arabinopyranosyl-8-C-alpha-L-arabinopyranosylapigenin C25H26O13 534.13734 477933-34-9 knapsack NA NA +FL5FACGS0094 Parthenosin;Quercetin 3-(6''-n-butylglucuronide);2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranosiduronic acid butyl ester C25H26O13 534.13734 166196-16-3 knapsack NA NA +FL5FCDGL0003 Rhamnazin 3-(6''-acetylglucoside) C25H26O13 534.13734 108886-00-6 knapsack NA NA +MJ078221 Carbolonium(2+); Dibromide C18H40Br2N4O4 534.141631 NA MeJP NA NA +MJ078222 Aprepitant C23H21F7N4O3 534.150187 NA MeJP NA NA +MJ078223 Cercosporin C29H26O10 534.152597 NA MeJP NA NA +MJ078224 Neosporin C29H26O10 534.152597 NA MeJP NA NA +MJ078225 Rocaglatic acid; 4'-Demethoxy, 3',4'-methylenedioxy, 1-O-formyl, Me ester C29H26O10 534.152597 NA MeJP NA NA +C10309 Cercosporin C29H26O10 534.1526 NA KEGG NA NA +PJ004188 GNDDD C18H26N6O13 534.1558 NA PeJP NA NA +MJ078226 4-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Hexa-Ac C22H30O15 534.15847 NA MeJP NA NA +PJ004189 CCFY C24H30N4O6S2 534.1607 NA PeJP NA NA +C10416 Dalpanin C26H30O12 534.1737 NA KEGG NA NA +FL1C9CGS0001 3,4-Dihydroxychalcone 4-beta-L-arabinopyranosyl-(1->4)-galactoside C26H30O12 534.17372 80680-25-7 knapsack NA NA +FL2FA9GM0003 5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xyloside C26H30O12 534.17372 - knapsack NA NA +FL4DACGI0001 3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside C26H30O12 534.17372 340997-06-0 knapsack NA NA +FL5FAAGI0001 Phellatin C26H30O12 534.17372 32507-68-9 knapsack NA NA +FL5FAAGI0015 Amurensin C26H30O12 534.17372 641-94-1 knapsack NA NA +FLIBALCF0001 Dalpanin C26H30O12 534.17372 37376-13-9 knapsack NA NA +MJ078227 ,7-Dihydroxy-6-methylflavanone, 7-O-[?-D-Xylopyranosyl-(1?3)-?-D-xylopyranoside] C26H30O12 534.173726 NA MeJP NA NA +MJ078228 10-Hydroxyaloin, 1''-O-(3-Hydroxy-2-methylbutanoyl)(2R,3S-) C26H30O12 534.173726 NA MeJP NA NA +MJ078229 2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Angeloyl, 9,13,14-tri-Ac C26H30O12 534.173726 NA MeJP NA NA +MJ078230 2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Tigloyl, 9,13,14-tri-Ac C26H30O12 534.173726 NA MeJP NA NA +MJ078231 3,3',4',5,7-Pentahydroxy-6-prenylflavanone, 7-O-?-D-Glucopyranoside C26H30O12 534.173726 NA MeJP NA NA +MJ078232 3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 3,4:3',4'-Bis(methylene) ether, 9-O-?-D-glucopyranoside C26H30O12 534.173726 NA MeJP NA NA +MJ078233 3,4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavone; 3''-O-?-D-Glucopyranoside C26H30O12 534.173726 NA MeJP NA NA +MJ078234 3,4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavone; 7-O-?-D-Glucopyranoside C26H30O12 534.173726 NA MeJP NA NA +MJ078235 3,4-Dihydroxychalcone; 4-O-(?-D-Arabinopyranosyl-?-D-galactopyranoside) C26H30O12 534.173726 NA MeJP NA NA +MJ078236 5,7-Dihydroxy-6-methylflavanone, 7-O-[?-D-Xylopyranosyl-(1?3)-?-D-xylopyranoside] C26H30O12 534.173726 NA MeJP NA NA +MJ078237 Dalpanin C26H30O12 534.173726 NA MeJP NA NA +MJ078238 Phellatin C26H30O12 534.173726 NA MeJP NA NA +MJ078239 Striatoside A C26H30O12 534.173726 NA MeJP NA NA +PJ004190 SPCND C19H30N6O10S 534.1744 NA PeJP NA NA +PJ004191 SCYY C24H30N4O8S 534.1784 NA PeJP NA NA +PJ004192 EEEE C20H30N4O13 534.181 NA PeJP NA NA +PJ004193 GCNNQ C18H30N8O9S 534.1857 NA PeJP NA NA +MJ078240 Rocaglatic acid; 1-Ac, Me ester C30H30O9 534.188982 NA MeJP NA NA +PJ004194 CEHF C23H30N6O7S 534.1897 NA PeJP NA NA +PJ004195 GSNEE C19H30N6O12 534.1922 NA PeJP NA NA +PJ004196 GPCQM C20H34N6O7S2 534.1931 NA PeJP NA NA +C18004 5''-Phosphoribostamycin C17H35N4O13P 534.1938 NA KEGG NA NA +MJ078241 Benzyl alcohol; O-[?-D-Apiofuranosyl-(1?2)-[?-D-xylopyranosyl-(1?6)]-?-D-glucopyranoside] C23H34O14 534.194855 NA MeJP NA NA +MJ078242 Glaucobiose; ?-Pyranose-form, Penta-Ac C23H34O14 534.194855 NA MeJP NA NA +MJ078243 Sinapyl alcohol, 1,4'-Di-O-?-D-glucopyranoside C23H34O14 534.194855 NA MeJP NA NA +MJ078244 Sinapyl alcohol, 4'-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C23H34O14 534.194855 NA MeJP NA NA +PJ004197 SSNNN C18H30N8O11 534.2034 NA PeJP NA NA +MJ078245 Maculalactone E; 3?,3a?-Epoxide, 1'?-hydroxy C34H30O6 534.204238 NA MeJP NA NA +MJ078246 Maculalactone I C34H30O6 534.204238 NA MeJP NA NA +MJ078247 Maculalactone J C34H30O6 534.204238 NA MeJP NA NA +PJ004198 GPCCR C19H34N8O6S2 534.2043 NA PeJP NA NA +PJ004199 SNEW C23H30N6O9 534.2074 NA PeJP NA NA +PJ004200 GGSEW C23H30N6O9 534.2075 NA PeJP NA NA +C08787 Undulatone C27H34O11 534.2101 NA KEGG NA NA +C16915 Arctiin C27H34O11 534.2101 NA KEGG NA NA +C17048 Forsythin C27H34O11 534.2101 NA KEGG NA NA +FL6DBAGI0001 3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside C27H34O11 534.21011 118555-85-4 knapsack NA NA +MJ078248 1,5-Bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol, 1-Butyl ether, 2-O-?-D-glucopyranoside C27H34O11 534.210111 NA MeJP NA NA +MJ078249 1,6,8,14,30-Pentahydroxy-3-oxotricyclo[3.3.110,2.11,4]meliac-7-oic acid, Me ester C27H34O11 534.210111 NA MeJP NA NA +MJ078250 15,16-Epoxy-6-hydroxy-3,7,13(16),14-clerodatetraen-17,12-olid-18-oic acid, 6-O-?-D-Glucopyranoside, Me ester C27H34O11 534.210111 NA MeJP NA NA +MJ078251 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 9'-O-(4-O-methyl-?-D-glucopyranoside) C27H34O11 534.210111 NA MeJP NA NA +MJ078252 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5,9-Tri-Me ether, 9'-O-?-D-glucopyranoside C27H34O11 534.210111 NA MeJP NA NA +MJ078253 Arctigenin, O-?-D-Glucopyranoside C27H34O11 534.210111 NA MeJP NA NA +MJ078254 Myricanol; Ketone, 12-hydroxy, 5-O-?-D-glucopyranoside C27H34O11 534.210111 NA MeJP NA NA +MJ078255 Phillygenin, O-?-D-Glucopyranoside C27H34O11 534.210111 NA MeJP NA NA +MJ078256 Pinoresinol, 4-Me ether, 4'-O-?-D-glucopyranoside C27H34O11 534.210111 NA MeJP NA NA +MJ078257 Undulatone C27H34O11 534.210111 NA MeJP NA NA +MJ078258 Verrucarin A; 16-Hydroxy, 9,10-epoxide C27H34O11 534.210111 NA MeJP NA NA +PJ004201 QQEM C20H34N6O9S 534.2108 NA PeJP NA NA +MJ078259 Maytansinol; 4,5-Deepoxy, 4,5-didehydro, N-de-Me C27H35ClN2O7 534.213279 NA MeJP NA NA +MJ078260 Cocsoline, N-De-Me C33H30N2O5 534.215472 NA MeJP NA NA +PJ004202 NDMR C19H34N8O8S 534.2221 NA PeJP NA NA +PJ004203 GSWW C27H30N6O6 534.2227 NA PeJP NA NA +MJ078261 Sarothralin C31H34O8 534.225368 NA MeJP NA NA +C09969 Sarothralin C31H34O8 534.2254 NA KEGG NA NA +PJ004204 AQMW C24H34N6O6S 534.2261 NA PeJP NA NA +MJ078262 Triamcinolone; 16,17-Acetone ketal, 21-hemisuccinate C28H35FO9 534.22651 NA MeJP NA NA +MJ078263 Okaramine E; 2,3-Didehydro C32H30N4O4 534.226705 NA MeJP NA NA +PJ004205 GSDKE C20H34N6O11 534.2286 NA PeJP NA NA +MJ078264 Daturametelin F C28H38O8S 534.228738 NA MeJP NA NA +PJ004206 GPCKM C21H38N6O6S2 534.2294 NA PeJP NA NA +PJ004207 NQHH C21H30N10O7 534.2299 NA PeJP NA NA +6988 coeliac toxic peptide QQPY 534.231 antioxidative Inhouse_peptide NA peptide +MJ078265 Manumycin E C30H34N2O7 534.236601 NA MeJP NA NA +PJ004208 ACRW C23H34N8O5S 534.2373 NA PeJP NA NA +MJ078266 9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione, 21-Ac, 17-pentanoyl C29H39ClO7 534.238431 NA MeJP NA NA +MJ078267 Jaborochlorodiol; 4,5-Dihydro, 5?-hydroxy, 12-Me ether C29H39ClO7 534.238431 NA MeJP NA NA +MJ078268 Jaborosalactone T C29H39ClO7 534.238431 NA MeJP NA NA +PJ004209 GSSER C19H34N8O10 534.2398 NA PeJP NA NA +MJ078269 Etamestrol C35H34O5 534.240624 NA MeJP NA NA +PJ004210 SDKW C24H34N6O8 534.2438 NA PeJP NA NA +CJneg0644 Androsterone glucuronide [(M-H)+(HCOONa)]- C26H38NaO10 534.244625 C18rt(min)=8.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0644 Androsterone glucuronide [(M-H)+(HCOONa)]- C26H38NaO10 534.244625 C18rt(min)=8.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +MJ078270 1,2,3,6,11-Pentahydroxy-16-kauren-15-one, 6-Ketone, 15?-alcohol, 2,3,11,15-tetra-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078271 16-Kaurene-1,3,6,7,11,15-hexol, 15-Ketone, 1,6,7,11-tetra-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078272 16-Kaurene-1,3,6,7,11,15-hexol, 15-Ketone, 3,6,7,11-tetra-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078273 16-Kaurene-1,3,6,7,11,15-hexol, 6-Ketone, 1,7,11,15-tetra-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078274 16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 2,6,7,11-tetra-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078275 16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 3,6,7,11-tetra-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078276 16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 2,3,6,11-tetra-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078277 16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 2,3,6,7-tetra-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078278 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 2,5,7,13-Tetra-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078279 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 2,7,10,13-Tetra-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078280 2,5,10,13,20-Pentahydroxy-3,8-seco-3,7,11-taxatrien-9-one, 2,10,13,20-Tetra-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078281 2,5,10,13,20-Pentahydroxy-3,8-seco-3,7,11-taxatrien-9-one, 2,5,10,13-Tetra-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078282 3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,3',4,4',5,5'-Hexa-Me ether, 9,9'-di-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078283 3,4:8,17-Diepoxy-2,9,14-trihydroxy-5-briaren-18,7-olide; 2-Butanoyl, 9,14-di-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078284 4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 13-Ketone, 2,7,9,10-tetra-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078285 7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 1,6,11,15-Tetra-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078286 8,17-Epoxy-2,3,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 3-Butanoyl, 2,14-di-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078287 8,17-Epoxy-2,9,14-trihydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-butanoyl, 9,14-di-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078288 8,9-Epoxy-2,4,6,10-daucanetetrol, 2,10-Di-Ac, 6-(3,4-dimethoxybenzoyl) C28H38O10 534.246497 NA MeJP NA NA +MJ078289 Ayamycin A2 C28H38O10 534.246497 NA MeJP NA NA +MJ078290 Ingol; 2-Epimer, tetra-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078291 Ingol; Tetra-Ac C28H38O10 534.246497 NA MeJP NA NA +MJ078292 Sakuraresinol; 1'''-Carboxylic acid, butyl ester C28H38O10 534.246497 NA MeJP NA NA +MJ078293 Shikokianoic acid; 6-Alcohol, di-Ac C28H38O10 534.246497 NA MeJP NA NA +PJ004211 QKEM C21H38N6O8S 534.2472 NA PeJP NA NA +MJ078294 Asterriquinone D; 2',2''-Bis(1,1-dimethyl-2-propenyl) C34H34N2O4 534.251857 NA MeJP NA NA +MJ078295 Asterriquinone D; 2',N1''-Bis(1,1-dimethyl-2-propenyl) C34H34N2O4 534.251857 NA MeJP NA NA +MJ078296 Asterriquinone D; 7''-(3-Methyl-2-butenyl), 2'-(1,1-dimethyl-2-propenyl) C34H34N2O4 534.251857 NA MeJP NA NA +MJ078297 Asterriquinone D; 7'-(3-Methyl-2-butenyl), 2'-(1,1-dimethyl-2-propenyl) C34H34N2O4 534.251857 NA MeJP NA NA +MJ078298 Asterriquinone; Di-Me ether C34H34N2O4 534.251857 NA MeJP NA NA +PJ004212 SSRW C23H34N8O7 534.2551 NA PeJP NA NA +MJ078299 Antimycin A8; Antimycin A8a C27H38N2O9 534.25773 NA MeJP NA NA +MJ078300 Antimycin A8; Antimycin A8b C27H38N2O9 534.25773 NA MeJP NA NA +MJ078301 Antimycin A; Antimycin A2 C27H38N2O9 534.25773 NA MeJP NA NA +PJ004213 TQMR C20H38N8O7S 534.2584 NA PeJP NA NA +PJ004214 AKMW C25H38N6O5S 534.2625 NA PeJP NA NA +MJ078302 1'-Ethyl-6,7-dihydro-5-[[2'-methyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-yl]carbonyl]spiro[2H-furo[2,3-f]indole-3(5H),4'-piperidine] C33H34N4O3 534.26309 NA MeJP NA NA +MJ078303 N-Phenyl-N'-[2,3,4,5-tetrahydro-2,4-dioxo-1-phenyl-5-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-1H-1,5-benzodiazepin-3-yl]urea C33H34N4O3 534.26309 NA MeJP NA NA +C15096 GV 150013X C33H34N4O3 534.2631 NA KEGG NA NA +C18064 Pyropheophorbide a C33H34N4O3 534.2631 NA KEGG NA NA +PJ004215 GTTKE C21H38N6O10 534.265 NA PeJP NA NA +3773 dipeptidyl aminopeptidase inhibitor EPPPPEPPPI 534.266 MH2+ Inhouse_peptide NA peptide +PJ004216 NKHH C22H34N10O6 534.2663 NA PeJP NA NA +MJ078304 5,7-Megastigmadiene-3,9-diol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C25H42O12 534.267626 NA MeJP NA NA +MJ078305 5,7-Megastigmadiene-3,9-diol, 3,9-Di-O-?-D-glucopyranoside C25H42O12 534.267626 NA MeJP NA NA +MJ078306 6,9-Dihydroxy-4,7-megastigmadien-3-one, 7,8-Dihydro, 9-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C25H42O12 534.267626 NA MeJP NA NA +MJ078307 Eleganoside C; 7-O-De-Me, 7-octyl ether C25H42O12 534.267626 NA MeJP NA NA +PJ004217 TCRR C19H38N10O6S 534.2697 NA PeJP NA NA +PJ004218 GTTTR C20H38N8O9 534.2762 NA PeJP NA NA +PJ004219 TTKW C25H38N6O7 534.2802 NA PeJP NA NA +MJ078308 18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 2-Me ether, 18-butanoyl, 6,19-di-Ac C29H42O9 534.282882 NA MeJP NA NA +MJ078309 18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 2-Me ether, 7-butanoyl, 18,19-di-Ac C29H42O9 534.282882 NA MeJP NA NA +MJ078310 2,3,11,14,20,22-Hexahydroxy-6-oxostigmasta-7,24(28)-dien-29,25-olide C29H42O9 534.282882 NA MeJP NA NA +MJ078311 2,3,5,12,14,20-Hexahydroxy-6,22-dioxostigmast-7-en-26,28-olide, 5-Deoxy C29H42O9 534.282882 NA MeJP NA NA +MJ078312 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H42O9 534.282882 NA MeJP NA NA +MJ078313 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-D-allopyranoside) C29H42O9 534.282882 NA MeJP NA NA +MJ078314 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-ribo-hexopyranoside) C29H42O9 534.282882 NA MeJP NA NA +MJ078315 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-xylo-hexopyranoside) C29H42O9 534.282882 NA MeJP NA NA +MJ078316 4,18-Epoxy-6,12,19-trihydroxy-13-cleroden-15,16-olide, 12-(2S-Methylbutanoyl), di-Ac C29H42O9 534.282882 NA MeJP NA NA +MJ078317 4,18:11,16:15,16-Triepoxy-1,6,19-clerodanetriol, 1-Tigloyl, 6,19-di-Ac C29H42O9 534.282882 NA MeJP NA NA +MJ078318 4,18:11,16:15,16-Triepoxy-14-clerodene-2,6,19-triol, 2-(2-Methylbutanoyl), 6,19-di-Ac C29H42O9 534.282882 NA MeJP NA NA +MJ078319 5,9-Epoxy-2,12,14-trihydroxy-6,8-briaradien-18-oic acid; 2-Butanoyl, 12,14-di-Ac, Me ester C29H42O9 534.282882 NA MeJP NA NA +MJ078320 Eriocarpin C29H42O9 534.282882 NA MeJP NA NA +MJ078321 Gomphoside; 15?-Hydroxy C29H42O9 534.282882 NA MeJP NA NA +MJ078322 Gomphoside; 17?-Hydroxy C29H42O9 534.282882 NA MeJP NA NA +MJ078323 Gomphoside; 17?-Hydroxy C29H42O9 534.282882 NA MeJP NA NA +MJ078324 Gomphoside; 3'-Epimer, 4'?-hydroxy C29H42O9 534.282882 NA MeJP NA NA +MJ078325 Sordaricin; O-(3-O-Acetyl-6-deoxy-4-O-methyl-?-D-altropyranoside) C29H42O9 534.282882 NA MeJP NA NA +C08869 Helveticoside C29H42O9 534.2829 NA KEGG NA NA +C17525 Corotoxigenin-3-o-alpha-L-rhamnopyranoside C29H42O9 534.2829 NA KEGG NA NA +PJ004220 KKEM C22H42N6O7S 534.2836 NA PeJP NA NA +MJ078326 Paliurine E; O-De-Me C30H38N4O5 534.28422 NA MeJP NA NA +PJ004221 VNFR C24H38N8O6 534.2914 NA PeJP NA NA +PJ004222 GGVFR C24H38N8O6 534.2915 NA PeJP NA NA +MJ078327 Antibiotic C 33196E4R C28H42N2O8 534.294116 NA MeJP NA NA +MJ078328 Lebstatin; 17-O-Demethyl C28H42N2O8 534.294116 NA MeJP NA NA +PJ004223 TKMR C21H42N8O6S 534.2948 NA PeJP NA NA +MJ078329 Ingenol; 20-Deoxy, 3-hexanoyl, 5-benzoyl C33H42O6 534.298139 NA MeJP NA NA +MJ078330 Vitixanthin C33H42O6 534.298139 NA MeJP NA NA +PJ004224 SSTLK C22H42N6O9 534.3013 NA PeJP NA NA +PJ004225 GFRR C23H38N10O5 534.3027 NA PeJP NA NA +PJ004226 PKKY C26H42N6O6 534.3166 NA PeJP NA NA +MJ078331 2,16,20,24,25-Pentahydroxycucurbit-5-ene-3,11,22-trione C30H46O8 534.319268 NA MeJP NA NA +MJ078332 2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,15,22-trione, 23,24-Dihydro C30H46O8 534.319268 NA MeJP NA NA +MJ078333 2,3,16,21-Tetrahydroxy-12-oleanene-24,28-dioic acid C30H46O8 534.319268 NA MeJP NA NA +MJ078334 2,3,16,23-Tetrahydroxy-12-oleanene-24,28-dioic acid C30H46O8 534.319268 NA MeJP NA NA +MJ078335 2,3,19,24-Tetrahydroxy-12-ursene-23,28-dioic acid C30H46O8 534.319268 NA MeJP NA NA +MJ078336 2,3,22,27-Tetrahydroxy-12-oleanene-23,28-dioic acid C30H46O8 534.319268 NA MeJP NA NA +MJ078337 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-xylo-hexopyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078338 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-D-lyxo-hexopyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078339 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-L-arabino-hexopyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078340 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-3-O-methyl-?-L-lyxo-hexopyranoside] C30H46O8 534.319268 NA MeJP NA NA +MJ078341 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-lyxo-hexopyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078342 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-xylo-hexopyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078343 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-L-arabino-hexopyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078344 3,14,19-Trihydroxycard-20(22)-enolide, 3-O-(3,6-Dideoxy-3-O-methyl-ribo-hexopyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078345 3,14,19-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-D-xylo-hexopyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078346 3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-galactopyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078347 3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-glucopyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078348 3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-altropyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078349 3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078350 3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-altropyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078351 3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078352 3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-mannopyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078353 3,14-Dihydroxycard-20(22)-enolide, 3-O-[6-Deoxy-3-O-methyl-?-L-glucopyranoside] C30H46O8 534.319268 NA MeJP NA NA +MJ078354 3,14-Dihydroxycard-20(22)-enolide, 3-O-[6-Deoxy-3-O-methyl-?-L-mannopyranoside] C30H46O8 534.319268 NA MeJP NA NA +MJ078355 3,14-Dihydroxycard-20(22)-enolide, 3-O-(3-O-Methyl-?-L-rhamnopyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078356 3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078357 3,14-Dihydroxycard-20(22)-enolide, 3-O-[6-Deoxy-3-O-methyl-?-D-galactopyranoside] C30H46O8 534.319268 NA MeJP NA NA +MJ078358 3,16,20,24,25-Pentahydroxycucurbit-5-ene-2,11,22-trione C30H46O8 534.319268 NA MeJP NA NA +MJ078359 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-lyxo-hexopyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078360 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranoside) C30H46O8 534.319268 NA MeJP NA NA +MJ078361 3,7,15,20-Tetrahydroxy-11,23-dioxolanost-8-en-26-oic acid C30H46O8 534.319268 NA MeJP NA NA +MJ078362 Cecropiacic acid; 15?-Hydroxy C30H46O8 534.319268 NA MeJP NA NA +MJ078363 Cecropiacic acid; 22?-Hydroxy C30H46O8 534.319268 NA MeJP NA NA +MJ078364 Cochliohydroquinone C30H46O8 534.319268 NA MeJP NA NA +MJ078365 Musangic acid C30H46O8 534.319268 NA MeJP NA NA +MJ078366 Neriagenin; 3-?-D-Diginosyl C30H46O8 534.319268 NA MeJP NA NA +MJ078367 Saponaceolide B; 3?,10?-Dihydroxy C30H46O8 534.319268 NA MeJP NA NA +MJ078368 Saponaceolide B; 7?,10?-Dihydroxy C30H46O8 534.319268 NA MeJP NA NA +C08799 Cucurbitacin H C30H46O8 534.3193 NA KEGG NA NA +C08863 Divaricoside C30H46O8 534.3193 NA KEGG NA NA +C08864 Divostroside C30H46O8 534.3193 NA KEGG NA NA +C08876 Neriifolin C30H46O8 534.3193 NA KEGG NA NA +C10005 Integerrenine C31H42N4O4 534.3206 NA KEGG NA NA +MJ078369 Adouetine Y' C31H42N4O4 534.320605 NA MeJP NA NA +MJ078370 Discarine C C31H42N4O4 534.320605 NA MeJP NA NA +MJ078371 Frangufoline C31H42N4O4 534.320605 NA MeJP NA NA +MJ078372 Integerrenine C31H42N4O4 534.320605 NA MeJP NA NA +MJ078373 Myrianthine A C31H42N4O4 534.320605 NA MeJP NA NA +MJ078374 Nummularine M C31H42N4O4 534.320605 NA MeJP NA NA +MJ078375 Protomethine; N9-(3,4-Dimethoxy-E-cinnamoyl) C31H42N4O4 534.320605 NA MeJP NA NA +MJ078376 Protomethine; N9-(3,4-Dimethoxy-Z-cinnamoyl) C31H42N4O4 534.320605 NA MeJP NA NA +MJ078377 Scutianine C C31H42N4O4 534.320605 NA MeJP NA NA +MJ078378 Waltherine A C31H42N4O4 534.320605 NA MeJP NA NA +MJ078379 Milbemycin IV; 7-Deoxy, 2,5,6,7-tetradehydro C34H46O5 534.334524 NA MeJP NA NA +MJ078380 Quaesitol; 3-Me ether C34H46O5 534.334524 NA MeJP NA NA +MJ078381 Tetromycin B C34H46O5 534.334524 NA MeJP NA NA +MJ078382 Ircinol; Sulfate C31H50O5S 534.337895 NA MeJP NA NA +7864 peptide from prawn muscle (Penaeus japonicus) FIKK 534.34 anticancer Inhouse_peptide NA peptide +MJ078383 6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-(16-Methylheptadecanoyl) C33H46N2O4 534.345757 NA MeJP NA NA +PJ004227 LKKF C27H46N6O5 534.353 NA PeJP NA NA +MJ078384 Cholest-8-ene-3,5,6,7,11-pentol, 6,7-Di-Ac C31H50O7 534.355653 NA MeJP NA NA +MJ078385 Passifloric acid C31H50O7 534.355653 NA MeJP NA NA +MJ078386 Pectinoacetal C C31H50O7 534.355653 NA MeJP NA NA +MJ078387 Viburnol F C31H50O7 534.355653 NA MeJP NA NA +MJ078388 Pyrano[7,28-b]hyperforin C35H50O4 534.37091 NA MeJP NA NA +MJ078389 Pyrohyperforin C35H50O4 534.37091 NA MeJP NA NA +MJ078390 Cyclomicrophylline I; N3,N20,N20-Tri-Me, N3-benzoyl C34H50N2O3 534.382143 NA MeJP NA NA +MJ078391 Raspacionin; 21-Deacetyl C32H54O6 534.392039 NA MeJP NA NA +MJ078392 Stigmast-5-ene-3,26-diol, 26-Benzoyl C36H54O3 534.407295 NA MeJP NA NA +MJ078393 Toxicol B C36H54O3 534.407295 NA MeJP NA NA +MJ078394 3,3',4,4'-Tetradehydro-?,?-carotene; 3',4'-Dihydro C40H54 534.422551 NA MeJP NA NA +MJ078395 ?,?-Carotene; 3',4'-Didehydro C40H54 534.422551 NA MeJP NA NA +MJ078396 ?-Carotene; 3',4'-Didehydro C40H54 534.422551 NA MeJP NA NA +MJ078397 Isocarotene C40H54 534.422551 NA MeJP NA NA +MJ078398 Lycopene, 3,4-Didehydro C40H54 534.422551 NA MeJP NA NA +MJ078399 Retrodehydro-?-carotene C40H54 534.422551 NA MeJP NA NA +C08613 Torulene C40H54 534.4226 NA KEGG NA NA +C15867 3,4-Dehydrolycopene C40H54 534.4226 NA KEGG NA NA +C15868 Neuromedin N C40H54 534.4226 NA KEGG NA NA +C15869 Neuromedin U C40H54 534.4226 NA KEGG NA NA +C15910 1',2'-Dihydrochlorobactene C40H54 534.4226 NA KEGG NA NA +MJ078400 Dammarane-3,12,20,24,25-pentol, 24,25-Isopropylidene C33H58O5 534.428424 NA MeJP NA NA +MJ078401 5,20-Dipropyl-1,16-dioxa-4,19-diazacyclotriaconta-7,10,22,25-tetraene-15,30-dione; 7,8,22,23-Tetrahydro C32H58N2O4 534.439658 NA MeJP NA NA +MJ078402 Cyclostellettamine; Cyclostellettamine E C37H62N2 534.491299 NA MeJP NA NA +MJ078403 Reticulatamol C35H66O3 534.501195 NA MeJP NA NA +MJ078404 13-Oxohexatriacontanal C36H70O2 534.537581 NA MeJP NA NA +MJ078405 15-Oxohexatriacontanal C36H70O2 534.537581 NA MeJP NA NA +MJ078406 17-Oxohexatriacontanal C36H70O2 534.537581 NA MeJP NA NA +MJ078407 2-Phyten-1-ol, Hexadecanoyl C36H70O2 534.537581 NA MeJP NA NA +MJ078408 3-(2-Methoxybutyl)-29-hentriaconten-2-one C36H70O2 534.537581 NA MeJP NA NA +MJ078409 7-Oxohexatriacontanal C36H70O2 534.537581 NA MeJP NA NA +MJ078410 9-Oxohexatriacontanal C36H70O2 534.537581 NA MeJP NA NA +MJ078411 4-Heptatriacontanone C37H74O 534.573966 NA MeJP NA NA +MJ078412 Octatriacontane C38H78 534.610352 NA MeJP NA NA +7315 celiac sprue gluten epitope from gamma-gliadin PFPQQPQQT 534.7515 MH2+ Inhouse_peptide NA peptide +7317 celiac sprue gluten epitope from gamma-gliadin PFPQTQQPQ 534.7515 MH2+ Inhouse_peptide NA peptide +7367 celiac sprue gluten epitope found in hordein PQPTQQFPQ 534.7515 MH2+ Inhouse_peptide NA peptide +7348 celiac sprue gluten epitope found in omega-gliadin PFPQPQLPF 534.772 MH2+ Inhouse_peptide NA peptide +MJ078413 Alternatamide B; N1-Me C18H24Br3N3O 534.94695 NA MeJP NA NA +MJ078414 3-[[(3-Carboxy-4-nitrophenyl)thio]methyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid C21H17N3O8S3 535.017776 NA MeJP NA NA +MJ078415 Cefetecol C20H17N5O9S2 535.046768 NA MeJP NA NA +C16153 UDP-L-Ara4N C14H23N3O15P2 535.0604 NA KEGG NA NA +MetaCyc03796 UDP-L-Ara4N [uridine 5''-diphospho-{β}-4-deoxy-4-amino-L-arabinose;UDP-4-amino-4-deoxy-L-arabinose;] C14H23N3O15P2 535.06044 NA metacyc NA NA +C16238 Lipoyl-AMP C18H26N5O8PS2 535.096 NA KEGG NA NA +C16239 Lipoyl-[acp] C8H13OS3R 535.096 NA KEGG NA NA +C16240 Apoprotein NH2R 535.096 NA KEGG NA NA +MetaCyc03797 lipoyl-AMP [] C18H26N5O8P1S2 535.096041 NA metacyc NA NA +MJ078416 Antibiotic BE 19412A C28H22ClNO8 535.103394 NA MeJP NA NA +FL7AACGL0025 Cyanidin 3-(3''-malonylglucoside) C24H23O14 535.10878 180129-51-5 knapsack NA NA +FL7AACGL0026 Cyanidin 3-(6''-malonylglucoside);Cyanidin-3-O-(6-O-malonyl-beta-D-glucopyranoside) C24H23O14 535.10878 94977-38-5 knapsack NA NA +C12643 Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside) C24H23O14 535.1088 NA KEGG NA NA +C06776 11-O-Demethylpradimicinone I C27H21NO11 535.1115 NA KEGG NA NA +MJ078417 Rebeccamycin; 11-Dechloro C27H22ClN3O7 535.114627 NA MeJP NA NA +MJ078418 Antibiotic WS 009B C24H25NO11S 535.114831 NA MeJP NA NA +PJ004228 ACCCH C18H29N7O6S3 535.1342 NA PeJP NA NA +PJ004229 GDDDD C18H25N5O14 535.1398 NA PeJP NA NA +FL7AAIGL0010 Malvidin 3-(6''-acetylglucoside) C25H27O13 535.14516 101072-66-6<BR>114051-26-2<BR>122798-00-9 knapsack NA NA +PJ004230 SSCCH C18H29N7O8S2 535.1519 NA PeJP NA NA +MJ078419 11-(Methylsulfinyl)undecyl glucosinolate C19H37NO10S3 535.157958 NA MeJP NA NA +PJ004231 SPCDD C19H29N5O11S 535.1585 NA PeJP NA NA +FL63ACGCN001 Davallioside A C25H29NO12 535.16897 131747-15-4 knapsack NA NA +MJ078420 Davallioside A C25H29NO12 535.168975 NA MeJP NA NA +PJ004232 GCNNE C18H29N7O10S 535.1697 NA PeJP NA NA +MJ078421 Xenytropium(1+), Bromide C30H34BrNO3 535.172206 NA MeJP NA NA +MJ078422 (3-Acetyl-5-chloro-2-hydroxybenzyl)dimethyl(2-phenoxyethyl)ammonium(1+); 3-Hydroxy-2-naphthalenecarboxylate C30H30ClNO6 535.176165 NA MeJP NA NA +PJ004233 GSDEE C19H29N5O13 535.1762 NA PeJP NA NA +PJ004234 GPCEM C20H33N5O8S2 535.1771 NA PeJP NA NA +MJ078423 Prestreptovarone C29H29NO9 535.184231 NA MeJP NA NA +MJ078424 Rocaglatic acid; 3'-Methoxy, 1-oxime, Me ester C29H29NO9 535.184231 NA MeJP NA NA +PJ004235 CNNW C22H29N7O7S 535.1849 NA PeJP NA NA +PJ004236 GGGGCW C22H29N7O7S 535.185 NA PeJP NA NA +PJ004237 SSNND C18H29N7O12 535.1874 NA PeJP NA NA +PJ004238 GGGGSSD C18H29N7O12 535.1875 NA PeJP NA NA +PJ004239 SDEW C23H29N5O10 535.1915 NA PeJP NA NA +PJ004240 PCMW C24H33N5O5S2 535.1923 NA PeJP NA NA +PJ004241 QEEM C20H33N5O10S 535.1948 NA PeJP NA NA +C11597 Grepafloxacin glucuronide C25H30FN3O9 535.1966 NA KEGG NA NA +8135 peptide derived from rice (Oryza sativa L,) DHHQ 535.2009 stimulating Inhouse_peptide NA peptide +PJ004242 DDMR C19H33N7O9S 535.2061 NA PeJP NA NA +MJ078425 Antibiotic K 26 C25H34N3O8P 535.208351 NA MeJP NA NA +PJ004243 AEMW C24H33N5O7S 535.2101 NA PeJP NA NA +PJ004244 GTTEE C20H33N5O12 535.2126 NA PeJP NA NA +PJ004245 GPTMM C21H37N5O7S2 535.2135 NA PeJP NA NA +PJ004246 NEHH C21H29N9O8 535.2139 NA PeJP NA NA +7878 peptide from b-casein (ovine milk) YQEP 535.215 ACE inhibitor Inhouse_peptide NA peptide +MJ078426 Scopinast C31H31F2NO5 535.217029 NA MeJP NA NA +PJ004247 GSCNR C18H33N9O8S 535.2173 NA PeJP NA NA +MJ078427 Astin; Astin C, 3'-Dechloro C25H34ClN5O6 535.219761 NA MeJP NA NA +MJ078428 Neoharringtonine C30H33NO8 535.220617 NA MeJP NA NA +MJ078429 Rocaglatic acid; 3'-Hydroxy, 8b-Et ether, methylamide C30H33NO8 535.220617 NA MeJP NA NA +MJ078430 Rocaglatic acid; 3'-Methoxy, dimethylamide C30H33NO8 535.220617 NA MeJP NA NA +MJ078431 Thaliadine C30H33NO8 535.220617 NA MeJP NA NA +MJ078432 Asperlicin C31H29N5O4 535.221954 NA MeJP NA NA +C11688 Asperlicin C31H29N5O4 535.222 NA KEGG NA NA +PJ004248 SSSQQ C19H33N7O11 535.2238 NA PeJP NA NA +PJ004249 TTEW C24H33N5O9 535.2278 NA PeJP NA NA +PJ004250 GAPEY C24H33N5O9 535.2279 NA PeJP NA NA +PJ004251 GHHW C25H29N9O5 535.2292 NA PeJP NA NA +PJ004252 KEEM C21H37N5O9S 535.2312 NA PeJP NA NA +PJ004253 NQQF C23H33N7O8 535.2391 NA PeJP NA NA +PJ004254 TEMR C20H37N7O8S 535.2425 NA PeJP NA NA +PJ004255 APYW C28H33N5O6 535.2431 NA PeJP NA NA +MJ078433 Geodiamolide D; Chloro analogue C27H38ClN3O6 535.244913 NA MeJP NA NA +PJ004256 SLMW C25H37N5O6S 535.2465 NA PeJP NA NA +MJ078434 Fluphenazine; Hexanoyl C28H36F3N3O2S 535.248032 NA MeJP NA NA +PJ004257 SSTLE C21H37N5O11 535.249 NA PeJP NA NA +PJ004258 GCLLM C22H41N5O6S2 535.2498 NA PeJP NA NA +PJ004259 AALMM C22H41N5O6S2 535.2499 NA PeJP NA NA +PJ004260 DKHH C22H33N9O7 535.2503 NA PeJP NA NA +3202 chymotrypsin inhibitor TPGVY 535.251 celiac toxic Inhouse_peptide NA peptide +PJ004261 PPHW C27H33N7O5 535.2543 NA PeJP NA NA +MJ078435 Cytochalasin U C31H37NO7 535.257002 NA MeJP NA NA +MJ078436 Nicocortonide C31H37NO7 535.257002 NA MeJP NA NA +PJ004262 SSSQK C20H37N7O10 535.2602 NA PeJP NA NA +PJ004263 VMMR C21H41N7O5S2 535.2611 NA PeJP NA NA +PJ004264 SHHR C21H33N11O6 535.2615 NA PeJP NA NA +PJ004265 PKEY C25H37N5O8 535.2642 NA PeJP NA NA +PJ004266 ATTLM C22H41N5O8S 535.2676 NA PeJP NA NA +MJ078437 Quantamycin C24H37N7O7 535.275446 NA MeJP NA NA +PJ004267 PTRY C24H37N7O7 535.2755 NA PeJP NA NA +MJ078438 Dictyocarpinine; 16-De-Me, 14-Me ether, 6,16-di-Ac C28H41NO9 535.278131 NA MeJP NA NA +MJ078439 Dictyocarpinine; 6,14-Di-Ac C28H41NO9 535.278131 NA MeJP NA NA +PJ004268 GTCKK C21H41N7O7S 535.2788 NA PeJP NA NA +MJ078440 Tyrosylprolyl-N-methylphenylalanylprolinamide C29H37N5O5 535.279469 NA MeJP NA NA +PJ004269 ALFW C29H37N5O5 535.2795 NA PeJP NA NA +PJ004270 TTTTL C22H41N5O10 535.2854 NA PeJP NA NA +MJ078441 Blasticidin S; 3''-N-Leucyl C23H37N9O6 535.286679 NA MeJP NA NA +EUR853 Lyso PE 18:3 [M-H+acetate]- C23H42NO7P 535.290992 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR853 Lyso PE 18:3 [M-H+acetate]- C23H42NO7P 535.290992 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR853 Lyso PE 18:3 [M-H+acetate]- C23H42NO7P 535.290992 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR853 Lyso PE 18:3 [M-H+acetate]- C23H42NO7P 535.290992 masses lipides attendues Inhousejuil11 NA NA +MJ078442 Sulpinine C C32H41NO6 535.293388 NA MeJP NA NA +MJ078443 Terpendole C; 14?-Hydroxy C32H41NO6 535.293388 NA MeJP NA NA +MJ078444 Terpendole C; 33,34-Epoxide C32H41NO6 535.293388 NA MeJP NA NA +PJ004271 SSSKK C21H41N7O9 535.2966 NA PeJP NA NA +3545 ACE inhibitor VHLAP 535.299 ACE inhibitor Inhouse_peptide NA peptide +PJ004272 LLQY C26H41N5O7 535.3006 NA PeJP NA NA +PJ004273 VVRY C25H41N7O6 535.3119 NA PeJP NA NA +MJ078445 Labiatamide A C29H45NO8 535.314517 NA MeJP NA NA +MJ078446 Neoline; O8,O14-Di-Ac, O1-Me C29H45NO8 535.314517 NA MeJP NA NA +MJ078447 Zygadenine; O3-Ac C29H45NO8 535.314517 NA MeJP NA NA +PJ004274 LLKY C27H45N5O6 535.337 NA PeJP NA NA +HMDB11491 LysoPE(0:0/22:1(13Z)) C27H54NO7P 535.36377 NA HMDB2010 NA NA +HMDB11521 LysoPE(22:1(13Z)/0:0) C27H54NO7P 535.36377 NA HMDB2010 NA NA +EUR751 Lyso PC 20:1 [M-H-CH3]- C28H56NO7P 535.363792 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR894 Lyso PE 22:1 monoisotopic mass C27H54NO7P 535.363792 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR751 Lyso PC 20:1 [M-H-CH3]- C28H56NO7P 535.363792 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR894 Lyso PE 22:1 monoisotopic mass C27H54NO7P 535.363792 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR751 Lyso PC 20:1 [M-H-CH3]- C28H56NO7P 535.363792 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR894 Lyso PE 22:1 monoisotopic mass C27H54NO7P 535.363792 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR751 Lyso PC 20:1 [M-H-CH3]- C28H56NO7P 535.363792 masses lipides attendues Inhousejuil11 NA NA +EUR894 Lyso PE 22:1 monoisotopic mass C27H54NO7P 535.363792 masses lipides attendues Inhousejuil11 NA NA +C12981 dl-alpha-Tocopherol nicotinate C35H53NO3 535.4025 NA KEGG NA NA +C12982 Transferred to D01531 C35H53NO3 535.4025 NA KEGG NA NA +C12983 Transferred to D01532 C35H53NO3 535.4025 NA KEGG NA NA +C12984 Transferred to D01533 C35H53NO3 535.4025 NA KEGG NA NA +C12985 Transferred to D01534 C35H53NO3 535.4025 NA KEGG NA NA +MJ078448 2-Amino-4,11-octadecadiene-1,3-diol, N-Hexadecanoyl C34H65NO3 535.496444 NA MeJP NA NA +MJ078449 2-Amino-4,8-docosadiene-1,3-diol, N-Dodecanoyl C34H65NO3 535.496444 NA MeJP NA NA +MJ078450 2-Amino-4,8-octadecadiene-1,3-diol, N-Hexadecanoyl C34H65NO3 535.496444 NA MeJP NA NA +HMDB01018 UDP-D-Xylose C14H22N2O16P2 536.04443 http://www.hmdb.ca/metabolites/HMDB01018 HMDB NA NA +HMDB01018 UDP-D-Xylose C14H22N2O16P2 536.04443 HMDB01018 PFEM_hmdb_metabocards_official NA NA +HMDB01018 UDP-D-Xylose C14H22N2O16P2 536.044434 NA HMDB2010 NA NA +HMDB12301 UDP-D-apiose C14H22N2O16P2 536.044434 NA HMDB2010 NA NA +HMDB12303 UDP-L-arabinose C14H22N2O16P2 536.044434 NA HMDB2010 NA NA +MJ078451 UDP-D-xylose C14H22N2O16P2 536.044455 NA MeJP NA NA +MJ078452 UDP-L-arabinose C14H22N2O16P2 536.044455 NA MeJP NA NA +MJ078453 UDPapiose C14H22N2O16P2 536.044455 NA MeJP NA NA +MetaCyc03798 UDP-L-arabinose [UDP-arabinose;UDP-β-L-arabinose;] C14H22N2O16P2 536.044456 NA metacyc NA NA +MetaCyc03799 UDP-D-xylulose [UDP-xylulose;] C14H22N2O16P2 536.044456 NA metacyc NA NA +MetaCyc03800 UDP-D-xylose [udp-xylose;UDP-α-D-xylose;] C14H22N2O16P2 536.044456 06/06/3616 metacyc NA NA +MetaCyc03801 UDP-D-apiose [] C14H22N2O16P2 536.044456 NA metacyc NA NA +C00190 UDP-D-xylose C14H22N2O16P2 536.0445 NA KEGG NA NA +C00935 UDP-L-arabinose C14H22N2O16P2 536.0445 NA KEGG NA NA +C01623 UDP-apiose C14H22N2O16P2 536.0445 NA KEGG NA NA +C18094 UDP-L-arabinofuranose C14H22N2O16P2 536.0445 NA KEGG NA NA +MJ078454 4-[[2-[6-(Aminosulfonyl)-7-chloro-1,2,3,4-tetrahydro-4-oxo-2-quinazolinyl]ethyl]thio]-1-(3-mercapto-2-methyl-1-oxopropyl)proline C19H25ClN4O6S3 536.062474 NA MeJP NA NA +MJ078455 ?-Rubromycin C27H20O12 536.095476 NA MeJP NA NA +MJ078456 Sagecoumarin C27H20O12 536.095476 NA MeJP NA NA +MJ078457 Schizotenuin C1 C27H20O12 536.095476 NA MeJP NA NA +MJ078458 Schizotenuin C2 C27H20O12 536.095476 NA MeJP NA NA +MJ078459 Trilobatin C C27H20O12 536.095476 NA MeJP NA NA +MJ078460 Dendroamide B; S9-Oxide C21H24N6O5S3 536.097029 NA MeJP NA NA +MJ078461 1,5',8,10'-Tetrahydroxy-3-methoxy-2',6-dimethyl[2,9'-bianthracene]-1',4',9,10-tetrone C31H20O9 536.110732 NA MeJP NA NA +MJ078462 Ismailin C31H20O9 536.110732 NA MeJP NA NA +FL5FAHGL0006 Laricitrin 3-(6''-acetylglucoside) C24H24O14 536.1166 174541-14-1 knapsack NA NA +FL5FECGL0014 Patuletin 3-(6''-acetylglucoside) C24H24O14 536.1166 118201-24-4 knapsack NA NA +FL5FECGS0027 Jaceidin 4'-glucuronide C24H24O14 536.1166 - knapsack NA NA +FL5FFCGS0020 Haploside A C24H24O14 536.1166 75055-89-9 knapsack NA NA +MJ078463 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-(6-O-Acetyl-?-D-glucopyranoside) C24H24O14 536.116605 NA MeJP NA NA +MJ078464 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-(Acetyl-?-D-glucopyranoside) C24H24O14 536.116605 NA MeJP NA NA +MJ078465 3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-(6-O-Acetyl-?-D-glucopyranoside) C24H24O14 536.116605 NA MeJP NA NA +MJ078466 3,4',5,7,8-Pentahydroxy-3'-methoxyflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) C24H24O14 536.116605 NA MeJP NA NA +MJ078467 4',5,7-Trihydroxy-3,3',6-trimethoxyflavone; 4'-O-?-D-Glucuronopyranoside C24H24O14 536.116605 NA MeJP NA NA +MJ078468 1,7-Dihydroxyxanthone; 1-Me ether, 7-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C25H28O13 536.15299 NA MeJP NA NA +MJ078469 1,7-Dihydroxyxanthone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C25H28O13 536.15299 NA MeJP NA NA +MJ078470 2',3',4',5,7,8-Hexahydroxyflavone; 2',3',7,8-Tetra-Me ether, 5-O-?-D-glucopyranoside C25H28O13 536.15299 NA MeJP NA NA +MJ078471 2',3,4',5,5',7-Hexahydroxyflavone; 3,4',5',7-Tetra-Me ether, 2'-O-?-D-glucopyranoside C25H28O13 536.15299 NA MeJP NA NA +MJ078472 2',4',5,5',6,7-Hexahydroxyisoflavone; 2',4',5',6-Tetra-Me ether, 7-O-glucopyranoside C25H28O13 536.15299 NA MeJP NA NA +MJ078473 2',4',5,5',7,8-Hexahydroxyisoflavone; 2',4',5',8-Tetra-Me ether, 7-O-?-D-glucopyranoside C25H28O13 536.15299 NA MeJP NA NA +MJ078474 2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl), 9,13,14-tri-Ac C25H28O13 536.15299 NA MeJP NA NA +MJ078475 3',5-Dihydroxy-3,4',6,7-tetramethoxyflavone; 3'-O-?-D-Glucopyranoside C25H28O13 536.15299 NA MeJP NA NA +MJ078476 3,4-Dihydro-4,5,8-trihydroxy-1(2H)-naphthalenone, 5-O-[(4-Hydroxy-3,5-dimethoxybenzoyl)-?-D-glucopyranoside] C25H28O13 536.15299 NA MeJP NA NA +MJ078477 3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-[?-D-Glucopyranosyl-(?3)-3,4-dihydroxy-E-cinnamoyl], Me ester C25H28O13 536.15299 NA MeJP NA NA +MJ078478 4',5-Dihydroxy-3',6,7,8-tetramethoxyflavone; 4'-O-?-D-Galactopyranoside C25H28O13 536.15299 NA MeJP NA NA +MJ078479 4',5-Dihydroxy-3,3',6,7-tetramethoxyflavone; 4'-O-?-D-Galactopyranoside C25H28O13 536.15299 NA MeJP NA NA +MJ078480 4',5-Dihydroxy-3,3',6,7-tetramethoxyflavone; 4'-O-?-D-Glucopyranoside C25H28O13 536.15299 NA MeJP NA NA +MJ078481 8-Glucosyl-2',4',5,5',6,7-hexahydroxyisoflavone; 2',4',5',6-Tetra-Me ether C25H28O13 536.15299 NA MeJP NA NA +MJ078482 Clitoriacetal; 11-Deoxy, 6-O-?-D-glucopyranoside C25H28O13 536.15299 NA MeJP NA NA +MJ078483 Clitoriacetal; 6-Deoxy, 11-O-?-D-glucopyranoside C25H28O13 536.15299 NA MeJP NA NA +MJ078484 Ibotalactone A C25H28O13 536.15299 NA MeJP NA NA +MJ078485 Monotropein; 10-O-(p-Hydroxy-E-cinnamoyl) C25H28O13 536.15299 NA MeJP NA NA +MJ078486 Monotropein; 10-O-(p-Hydroxy-Z-cinnamoyl) C25H28O13 536.15299 NA MeJP NA NA +MJ078487 Sweroside; 7R-(3,4-Dihydroxycinnamoyloxy) C25H28O13 536.15299 NA MeJP NA NA +MJ078488 Sweroside; 7S-(3,4-Dihydroxycinnamoyloxy) C25H28O13 536.15299 NA MeJP NA NA +FL3FFGCS0001 5,7-Dihydroxy-8,3',4',5'-tetramethoxyflavone 6-C-glucoside C25H28O13 536.15299 - knapsack NA NA +FL3FFLGS0001 5,4'-Dihidroxy-7,8,2',3'-tetramethoxy flavone 5-glucoside C25H28O13 536.15299 113963-42-1 knapsack NA NA +FL5FALGS0003 Chrysosplenoside E C25H28O13 536.15299 27625-90-7 knapsack NA NA +FL5FECGS0034 Galactobuxin C25H28O13 536.15299 133362-61-5 knapsack NA NA +FL5FECGS0035 Chrysosplenin C25H28O13 536.15299 23279-19-8 knapsack NA NA +FL5FECGS0036 Casticin 3'-glucoside C25H28O13 536.15299 71827-14-0 knapsack NA NA +FLIAELCS0001 Dalpaniculin C25H28O13 536.15299 133956-26-0 knapsack NA NA +FLIAELGS0001 Caviunin 7-O-glucoside C25H28O13 536.15299 50299-68-8 knapsack NA NA +FLIAFLGS0001 Isocaviunin 7-O-glucoside;Isocaviudin C25H28O13 536.15299 74148-49-5 knapsack NA NA +PJ004275 GCNDE C18H28N6O11S 536.1537 NA PeJP NA NA +HMDB06944 1,4-beta-D-Glucan C18H32O18 536.158875 NA HMDB2010 NA NA +MJ078489 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] C29H28O10 536.168247 NA MeJP NA NA +MJ078490 2,2'-Methylenebis[7-acetyl-3,6,8-trihydroxy-4,4-dimethyl]1(4H)naphthalenone C29H28O10 536.168247 NA MeJP NA NA +MJ078491 Deacyltaiwanschirin; 10-Benzoyl C29H28O10 536.168247 NA MeJP NA NA +MJ078492 Pannellin; 3'-Methoxy C29H28O10 536.168247 NA MeJP NA NA +MJ078493 Rocaglatic acid; 3'-Hydroxy, 1-O-formyl, Me ester C29H28O10 536.168247 NA MeJP NA NA +PJ004276 CNDW C22H28N6O8S 536.169 NA PeJP NA NA +PJ004277 SSNDD C18H28N6O13 536.1715 NA PeJP NA NA +PJ004278 SPCCQ C19H32N6O8S2 536.1723 NA PeJP NA NA +MJ078494 Arborescosidic acid; ?-D-Glucopyranosyl ester C22H32O15 536.17412 NA MeJP NA NA +MJ078495 Geniposidic acid; ?-D-Glucopyranosyl ester C22H32O15 536.17412 NA MeJP NA NA +MJ078496 Gonocaryoside B; Me ester, 5'-hydroxy C22H32O15 536.17412 NA MeJP NA NA +MJ078497 Swertiamarin; 6'-O-?-D-Glucopyranosyl C22H32O15 536.17412 NA MeJP NA NA +PJ004279 EEEM C20H32N4O11S 536.1789 NA PeJP NA NA +MJ078498 Asticolorin A; 29-Ketone C33H28O7 536.183503 NA MeJP NA NA +PJ004280 CMHF C23H32N6O5S2 536.1876 NA PeJP NA NA +FL2FEGGS0001 5-Hydroxy-6,7,3',4',5'-pentamethoxyflavanone 5-O-rhamnoside C26H32O12 536.18937 63355-11-3 knapsack NA NA +FL4DAAGI0002 Phellavin C26H32O12 536.18937 32507-67-8 knapsack NA NA +MJ078499 15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide, 2?,3?-Epoxide, 4-O-?-D-glucopyranoside C26H32O12 536.189376 NA MeJP NA NA +MJ078500 15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide, 2?,3?-Epoxide, O-?-D-glucopyranoside C26H32O12 536.189376 NA MeJP NA NA +MJ078501 15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide, 2?,3?-Epoxide, 4-O-?-D-glucopyranoside C26H32O12 536.189376 NA MeJP NA NA +MJ078502 15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide, 2?,3?-Epoxide, O-?-D-glucopyranoside C26H32O12 536.189376 NA MeJP NA NA +MJ078503 3',4',5,5',6,7-Hexahydroxyflavanone, 3',4',5',6,7-Penta-Me ether, 5-O-?-L-rhamnopyranoside C26H32O12 536.189376 NA MeJP NA NA +MJ078504 3,3',4,4',8-Pentahydroxylignan-9,9'-olide, 3',4'-Di-Me ether, 4-O-?-D-glucopyranoside C26H32O12 536.189376 NA MeJP NA NA +MJ078505 3,5-Dihydroxystilbene, Di-O-?-D-glucopyranoside C26H32O12 536.189376 NA MeJP NA NA +MJ078506 8-Hydroxypinoresinol; 4'-O-?-D-Glucopyranoside C26H32O12 536.189376 NA MeJP NA NA +MJ078507 8-Hydroxypinoresinol; 4-O-?-D-Glucopyranoside C26H32O12 536.189376 NA MeJP NA NA +MJ078508 8-Hydroxypinoresinol; 8-O-?-D-Glucopyranoside C26H32O12 536.189376 NA MeJP NA NA +MJ078509 Harpagide; 8-O-E-Cinnamoyl, 6'-Ac C26H32O12 536.189376 NA MeJP NA NA +MJ078510 Iridolinaroside B C26H32O12 536.189376 NA MeJP NA NA +MJ078511 Iridolinaroside C C26H32O12 536.189376 NA MeJP NA NA +MJ078512 Iridolinaroside D C26H32O12 536.189376 NA MeJP NA NA +MJ078513 Loganic acid; 2'-(4-Methoxycinnamoyl)(E-) C26H32O12 536.189376 NA MeJP NA NA +MJ078514 Loganic acid; 8-Epimer, 7-(4-methoxycinnamoyl)(E-) C26H32O12 536.189376 NA MeJP NA NA +MJ078515 Phellatin; 2,3-Dihydro C26H32O12 536.189376 NA MeJP NA NA +MJ078516 Tecomoside; 7-(4-Methoxycinnamoyl) (E-) C26H32O12 536.189376 NA MeJP NA NA +MJ078517 Verticillatoside A C26H32O12 536.189376 NA MeJP NA NA +MJ078518 Wikstromol, 4-O-?-D-Glucopyranoside C26H32O12 536.189376 NA MeJP NA NA +PJ004281 GSNEM C19H32N6O10S 536.1901 NA PeJP NA NA +PJ004282 DEHH C21H28N8O9 536.198 NA PeJP NA NA +MJ078519 Semotiadil C29H32N2O6S 536.198107 NA MeJP NA NA +PJ004283 GSCDR C18H32N8O9S 536.2013 NA PeJP NA NA +C10881 Schisantherin A C30H32O9 536.2046 NA KEGG NA NA +C17684 Lappaol A C30H32O9 536.2046 NA KEGG NA NA +MJ078520 Gomisin F; O7-Deangeloyl, 7-O-benzoyl C30H32O9 536.204632 NA MeJP NA NA +MJ078521 Gomisin P; 7,8-Diepimer, 7-benzoyl C30H32O9 536.204632 NA MeJP NA NA +MJ078522 Gomisin P; 7-Benzoyl C30H32O9 536.204632 NA MeJP NA NA +MJ078523 Hedyotol A C30H32O9 536.204632 NA MeJP NA NA +MJ078524 Herpetotriol C30H32O9 536.204632 NA MeJP NA NA +MJ078525 Lappaol A C30H32O9 536.204632 NA MeJP NA NA +PJ004284 SNMW C23H32N6O7S 536.2053 NA PeJP NA NA +PJ004285 GGGPCF C23H32N6O7S 536.2054 NA PeJP NA NA +PJ004286 SSSQE C19H32N6O12 536.2078 NA PeJP NA NA +PJ004287 QQMM C20H36N6O7S2 536.2087 NA PeJP NA NA +MJ078526 3-Pentyl-1,2,4,5-benzenetetrol; 2,4-Di-O-?-D-glucopyranoside C23H36O14 536.210505 NA MeJP NA NA +PJ004288 PEEY C24H32N4O10 536.2119 NA PeJP NA NA +PJ004289 CQMR C19H36N8O6S2 536.2199 NA PeJP NA NA +PJ004290 GSSTW C23H32N6O9 536.2231 NA PeJP NA NA +MJ078527 1,2,3,6,8,14-Hexahydroxytricyclo[4.2.110,30.11,4]meliac-7-oic acid, Me ester C27H36O11 536.225761 NA MeJP NA NA +MJ078528 15,16-Epoxy-12-hydroxy-3,13(16),14-clerodatrien-17,6-olid-18-oic acid, 12-O-?-D-Glucopyranoside, Me ester C27H36O11 536.225761 NA MeJP NA NA +MJ078529 15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, 2-O-?-D-Glucopyranoside, Me ester C27H36O11 536.225761 NA MeJP NA NA +MJ078530 15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, O-?-D-Glucoside, Me ester C27H36O11 536.225761 NA MeJP NA NA +MJ078531 15,16-Epoxy-6-hydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, 6-O-?-D-Glucopyranoside, Me ester C27H36O11 536.225761 NA MeJP NA NA +MJ078532 2,8,9,14,16-Pentahydroxy-5,11-briaradien-18,7-olide, 16-Carboxylic acid, 2,9,14-tri-Ac, Me ester C27H36O11 536.225761 NA MeJP NA NA +MJ078533 8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-propanoyl, 4,14-di-Ac C27H36O11 536.225761 NA MeJP NA NA +MJ078534 Bruceanol A; 15-Deacyl, 15-hexanoyl C27H36O11 536.225761 NA MeJP NA NA +MJ078535 Simalikalactone D; 2'-Acetoxy C27H36O11 536.225761 NA MeJP NA NA +HMDB10345 Aldosterone 18-glucuronide C27H36O11 536.225769 NA HMDB2010 NA NA +PJ004291 GSDKM C20H36N6O9S 536.2265 NA PeJP NA NA +PJ004292 CCRR C18H36N10O5S2 536.2312 NA PeJP NA NA +MJ078536 Griseococcin D C21H36N4O12 536.232972 NA MeJP NA NA +MJ078537 N,N'-1,2-Ethanediylbis[N-[(3,4,5-trimethoxyphenyl)methyl]glycine] C26H36N2O10 536.236995 NA MeJP NA NA +PJ004293 GSSMR C19H36N8O8S 536.2377 NA PeJP NA NA +PJ004294 GQFW C27H32N6O6 536.2384 NA PeJP NA NA +MJ078538 1,2,4,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2-Ac C31H36O8 536.241018 NA MeJP NA NA +MJ078539 1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 6-Ac C31H36O8 536.241018 NA MeJP NA NA +MJ078540 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 6-Ac C31H36O8 536.241018 NA MeJP NA NA +MJ078541 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 8-Ac C31H36O8 536.241018 NA MeJP NA NA +MJ078542 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 6-Ac C31H36O8 536.241018 NA MeJP NA NA +MJ078543 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 6-Ac C31H36O8 536.241018 NA MeJP NA NA +PJ004295 TCKW C24H36N6O6S 536.2417 NA PeJP NA NA +MJ078544 Okaramine E C32H32N4O4 536.242355 NA MeJP NA NA +MJ078545 Okaramine R C32H32N4O4 536.242355 NA MeJP NA NA +PJ004296 SSSKE C20H36N6O11 536.2442 NA PeJP NA NA +PJ004297 QKMM C21H40N6O6S2 536.2451 NA PeJP NA NA +3826 peptide from soybean b-conglycinin (Glycine max) LVNPHDHQN 536.24535 MH2+ Inhouse_peptide NA peptide +PJ004298 LEEF C25H36N4O9 536.2483 NA PeJP NA NA +PJ004299 PHHF C26H32N8O5 536.2496 NA PeJP NA NA +MJ078546 Manumycin C C30H36N2O7 536.252251 NA MeJP NA NA +PJ004300 LMHH C23H36N8O5S 536.253 NA PeJP NA NA +PJ004301 SSSTR C19H36N8O10 536.2555 NA PeJP NA NA +PJ004302 CKMR C20H40N8O5S2 536.2563 NA PeJP NA NA +PJ004303 VQQY C24H36N6O8 536.2595 NA PeJP NA NA +MJ078547 16-Kaurene-1,3,6,7,11,15-hexol, 1,6,11,15-Tetra-Ac C28H40O10 536.262147 NA MeJP NA NA +MJ078548 16-Kaurene-1,3,6,7,11,15-hexol, 1,6,7,11-Tetra-Ac C28H40O10 536.262147 NA MeJP NA NA +MJ078549 16-Kaurene-1,3,6,7,11,15-hexol, 6,7,11,15-Tetra-Ac C28H40O10 536.262147 NA MeJP NA NA +MJ078550 2,3,5,12,14,20-Hexahydroxy-6,22-dioxoergost-7-en-26,28-olide C28H40O10 536.262147 NA MeJP NA NA +MJ078551 2,9,12,14-Tetrahydroxy-5,8(17)-briaradien-18,7-olide; 8?,17?-Epoxide, 2-butanoyl, 9,14-di-Ac C28H40O10 536.262147 NA MeJP NA NA +MJ078552 4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 2,7,9,10-Tetra-Ac C28H40O10 536.262147 NA MeJP NA NA +MJ078553 4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 7,9,10,13-Tetra-Ac C28H40O10 536.262147 NA MeJP NA NA +MJ078554 4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 3-(2-Methylpropanoyl), 6,19-di-Ac C28H40O10 536.262147 NA MeJP NA NA +MJ078555 4,18:8,13-Diepoxy-6,11,19-trihydroxy-15,16-clerodanolide, 6-(2-Methylpropanoyl), 11,19-di-Ac C28H40O10 536.262147 NA MeJP NA NA +MJ078556 6,13-Epoxy-7-eunicellene-2,3,4,9,12-pentol, 9-Ketone, 2,3,4,12-tetra-Ac C28H40O10 536.262147 NA MeJP NA NA +MJ078557 6,13-Epoxy-8(19)-eunicellene-2,3,4,9,12-pentol, 9-Ketone, 2,3,4,12-tetra-Ac C28H40O10 536.262147 NA MeJP NA NA +MJ078558 Glaucarubol; 2-Ketone, 15-O-(3-ethyl-3S-hydroxy-4-methylpentanoyl) C28H40O10 536.262147 NA MeJP NA NA +MJ078559 Glaucogenin C; 7?-Hydroxy, 3-O-?-D-thevetopyranoside C28H40O10 536.262147 NA MeJP NA NA +MJ078560 Sambacein I; 10-Deacyl C28H40O10 536.262147 NA MeJP NA NA +MJ078561 Sambacein I; 7-Deacyl C28H40O10 536.262147 NA MeJP NA NA +PJ004304 GTTKM C21H40N6O8S 536.2629 NA PeJP NA NA +MJ078562 Asterriquinol D; 1',1''-Bis(1,1-dimethyl-2-propenyl) C34H36N2O4 536.267507 NA MeJP NA NA +C07773 Ambenonium C28H42Cl2N4O2 536.2685 NA KEGG NA NA +PJ004305 AQRY C23H36N8O7 536.2707 NA PeJP NA NA +2775 protease HIV 1 inhibitor LLEY 536.273 NA Inhouse_peptide NA peptide +PJ004306 GKFW C28H36N6O5 536.2747 NA PeJP NA NA +MJ078563 14,20:18,20-Diepoxypregnane-3,11,12-triol, 12-Cinnamoyl, 11-Ac C32H40O7 536.277403 NA MeJP NA NA +MJ078564 Lathyrol; 3-(Phenylacetyl), 5,15-di-Ac C32H40O7 536.277403 NA MeJP NA NA +MJ078565 Mozenavir C33H36N4O3 536.278741 NA MeJP NA NA +PJ004307 STTTK C21H40N6O10 536.2806 NA PeJP NA NA +PJ004308 KKMM C22H44N6O5S2 536.2815 NA PeJP NA NA +PJ004309 PQHR C22H36N10O6 536.282 NA PeJP NA NA +2620 synthetic fr,of human beta-CN (77-81) ACE inhibitor PVPQP 536.282 NA Inhouse_peptide NA peptide +MJ078566 5-Megastigmene-3,9-diol, 3,9-Di-O-?-D-glucopyranoside C25H44O12 536.283276 NA MeJP NA NA +MJ078567 7-Megastigmene-3,9-diol, 3,9-Di-O-?-D-glucopyranoside C25H44O12 536.283276 NA MeJP NA NA +PJ004310 LLEY C26H40N4O8 536.2846 NA PeJP NA NA +MJ078568 Senegenin C30H45ClO6 536.290466 NA MeJP NA NA +MJ078569 2-[4-(3,5-Dihydroxy-2-biphenylyl)-2,2-dimethylbutyl]-2,3-dihydro-6-hydroxy-3,3-dimethyl-4-phenylbenzofuran; 4',6-Di-Me ether C36H40O4 536.292659 NA MeJP NA NA +PJ004311 VQKY C25H40N6O7 536.2959 NA PeJP NA NA +C08877 Rhodexin A C29H44O9 536.2985 NA KEGG NA NA +C17522 Mallogenin-3-o-alpha-L-rhamnopyranoside C29H44O9 536.2985 NA KEGG NA NA +C17524 Coroglaucigenin-3-o-alpha-L-rhamnopyranoside C29H44O9 536.2985 NA KEGG NA NA +MJ078570 1,3,14-Trihydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H44O9 536.298533 NA MeJP NA NA +MJ078571 15,17-Epoxy-6,15,17-trihydroxy-16-isocopalanoic acid, 6-Butanoyl,15,17-di-Ac, Me ester C29H44O9 536.298533 NA MeJP NA NA +MJ078572 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H44O9 536.298533 NA MeJP NA NA +MJ078573 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-D-gulopyranoside) C29H44O9 536.298533 NA MeJP NA NA +MJ078574 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H44O9 536.298533 NA MeJP NA NA +MJ078575 3,12,14,16-Tetrahydroxycard-20(22)-enolide, 3-O-Digitoxoside C29H44O9 536.298533 NA MeJP NA NA +MJ078576 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H44O9 536.298533 NA MeJP NA NA +MJ078577 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-Fucoside C29H44O9 536.298533 NA MeJP NA NA +MJ078578 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H44O9 536.298533 NA MeJP NA NA +MJ078579 3,14,17-Trihydroxycard-20(22)-enolide, 3-O-D-Allomethyloside C29H44O9 536.298533 NA MeJP NA NA +MJ078580 3,14,19-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-glucopyranoside) C29H44O9 536.298533 NA MeJP NA NA +MJ078581 3,14,19-Trihydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H44O9 536.298533 NA MeJP NA NA +MJ078582 3,14,19-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-allopyranoside) C29H44O9 536.298533 NA MeJP NA NA +MJ078583 3,14,19-Trihydroxycard-20(22)-enolide, 3-O-Rhamnoside C29H44O9 536.298533 NA MeJP NA NA +MJ078584 3,14-Dihydroxycard-20(22)-enolide, 3-O-?-D-Allopyranoside C29H44O9 536.298533 NA MeJP NA NA +MJ078585 3,14-Dihydroxycard-20(22)-enolide, 3-O-?-D-Glucopyranoside C29H44O9 536.298533 NA MeJP NA NA +MJ078586 3,14-Dihydroxycard-20(22)-enolide, 3-O-?-D-Allopyranoside C29H44O9 536.298533 NA MeJP NA NA +MJ078587 3,14-Dihydroxycard-20(22)-enolide, 3-O-?-D-Glucopyranoside C29H44O9 536.298533 NA MeJP NA NA +MJ078588 3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-xylo-hexopyranoside) C29H44O9 536.298533 NA MeJP NA NA +MJ078589 3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-D-ribo-hexopyranoside) C29H44O9 536.298533 NA MeJP NA NA +MJ078590 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(2-Deoxy-?-D-lyxo-hexopyranoside) C29H44O9 536.298533 NA MeJP NA NA +MJ078591 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(2-Deoxy-?-D-xylo-hexopyranoside) C29H44O9 536.298533 NA MeJP NA NA +MJ078592 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H44O9 536.298533 NA MeJP NA NA +MJ078593 4,18:11,16:15,16-Triepoxy-1,6,19-clerodanetriol, 1-(2-Methylbutanoyl), 6,19-di-Ac C29H44O9 536.298533 NA MeJP NA NA +MJ078594 Actodigigenin; 3-O-?-D-Glucopyranoside C29H44O9 536.298533 NA MeJP NA NA +MJ078595 SK 1 C29H44O9 536.298533 NA MeJP NA NA +MJ078596 Sengosterone C29H44O9 536.298533 NA MeJP NA NA +MJ078597 Soraphen A; 12-Methoxy(Z-), 11-O-de-Me C29H44O9 536.298533 NA MeJP NA NA +MJ078598 Soraphen A; 8?-Hydroxy C29H44O9 536.298533 NA MeJP NA NA +MJ078599 Aphelandrine, 17,18-Diepimer, 30-methoxy, Me ether C30H40N4O5 536.29987 NA MeJP NA NA +MJ078600 Melonovine B C30H40N4O5 536.29987 NA MeJP NA NA +MJ078601 Schweinine C30H40N4O5 536.29987 NA MeJP NA NA +PJ004312 AKRY C24H40N8O6 536.3071 NA PeJP NA NA +MJ078602 Vitixanthin; 4,5-Dihydro C33H44O6 536.313789 NA MeJP NA NA +MJ078603 Cycloart-24-ene-3,23,28-triol, 23-Ketone, 3-O-sulfate C30H48O6S 536.317159 NA MeJP NA NA +MJ078604 Cycloart-24-ene-3,23,28-triol; 3?-form, 23-Ketone, 28-O-sulfate C30H48O6S 536.317159 NA MeJP NA NA +MJ078605 Ergosta-5,24(28)-diene-3,7-diol, 3-Sulfate, 7-Ac C30H48O6S 536.317159 NA MeJP NA NA +PJ004313 PKHR C23H40N10O5 536.3183 NA PeJP NA NA +MJ078606 Glidobactin D C27H44N4O7 536.320999 NA MeJP NA NA +MJ078607 Glidobactin G C27H44N4O7 536.320999 NA MeJP NA NA +MJ078608 dobactin E C27H44N4O7 536.320999 NA MeJP NA NA +MJ078609 Annotine; 1:1 Complex with Acrifoline GPC47-P C32H44N2O5 536.325022 NA MeJP NA NA +PJ004314 VKKY C26H44N6O6 536.3322 NA PeJP NA NA +PJ004315 PPPVK C26H44N6O6 536.3323 NA PeJP NA NA +MJ078610 15-Hydroxy-3,4-seco-4(18),7-labdadien-3-oic acid, 15-O-[4-O-(Methylpropenoyl)-?-L-arabinopyranoside] C30H48O8 536.334918 NA MeJP NA NA +MJ078611 2,3,5,14,20,22,25-Heptahydroxycholest-7-en-6-one, 20,22-O-Isopropylidene C30H48O8 536.334918 NA MeJP NA NA +MJ078612 Calyculaglycoside B C30H48O8 536.334918 NA MeJP NA NA +MJ078613 Ergosta-7,22-diene-2,3,5,6,9,11,19-heptol, 11-Ac C30H48O8 536.334918 NA MeJP NA NA +MJ078614 Bengazole Z; O2-(14-Methylpentadecanoyl) C29H48N2O7 536.346151 NA MeJP NA NA +MJ078615 Bengazole Z; O2-Hexadecanoyl C29H48N2O7 536.346151 NA MeJP NA NA +MJ078616 Bengazole Z; O6-(14-Methylpentadecanoyl) C29H48N2O7 536.346151 NA MeJP NA NA +MJ078617 Bengazole Z; O6-Hexadecanoyl C29H48N2O7 536.346151 NA MeJP NA NA +MJ078618 Baleabuxidine I; N20,N20-Di-Me,N3-benzoyl C33H48N2O4 536.361408 NA MeJP NA NA +MJ078619 1,3,16,24-Tetrahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid C31H52O7 536.371304 NA MeJP NA NA +MJ078620 1,3,20,24-Tetrahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid C31H52O7 536.371304 NA MeJP NA NA +MJ078621 1,3,22,24-Tetrahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid C31H52O7 536.371304 NA MeJP NA NA +MJ078622 Hyperforin C35H52O4 536.38656 NA MeJP NA NA +C07608 Hyperforin C35H52O4 536.3866 NA KEGG NA NA +MJ078623 Quassiol A; 18-Ac C32H56O6 536.407689 NA MeJP NA NA +HMDB00561 b-Carotene C40H56 536.43817 http://www.hmdb.ca/metabolites/HMDB00561 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03000 Lycopene C40H56 536.43817 http://www.hmdb.ca/metabolites/HMDB03000 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03993 alpha-Carotene C40H56 536.43817 http://www.hmdb.ca/metabolites/HMDB03993 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00561 b-Carotene C40H56 536.43817 http://www.hmdb.ca/metabolites/HMDB00561 HMDB NA NA +HMDB02297 cis-y,y-Carotene C40H56 536.43817 http://www.hmdb.ca/metabolites/HMDB02297 HMDB NA NA +HMDB02935 cis-b,b-Carotene C40H56 536.43817 http://www.hmdb.ca/metabolites/HMDB02935 HMDB NA NA +HMDB03000 Lycopene C40H56 536.43817 http://www.hmdb.ca/metabolites/HMDB03000 HMDB NA NA +HMDB03993 alpha-Carotene C40H56 536.43817 http://www.hmdb.ca/metabolites/HMDB03993 HMDB NA NA +HMDB00561 b-Carotene C40H56 536.43817 http://www.hmdb.ca/metabolites/HMDB00561 PFEM_hmdb_metabocards_blood NA blood +HMDB03000 Lycopene C40H56 536.43817 http://www.hmdb.ca/metabolites/HMDB03000 PFEM_hmdb_metabocards_blood NA blood +HMDB03993 alpha-Carotene C40H56 536.43817 http://www.hmdb.ca/metabolites/HMDB03993 PFEM_hmdb_metabocards_blood NA blood +HMDB00561 b-Carotene C40H56 536.43817 HMDB00561 PFEM_hmdb_metabocards_official NA NA +HMDB02297 cis-y,y-Carotene C40H56 536.43817 HMDB02297 PFEM_hmdb_metabocards_official NA NA +HMDB02935 cis-b,b-Carotene C40H56 536.43817 HMDB02935 PFEM_hmdb_metabocards_official NA NA +HMDB03000 Lycopene C40H56 536.43817 HMDB03000 PFEM_hmdb_metabocards_official NA NA +HMDB03993 alpha-Carotene C40H56 536.43817 HMDB03993 PFEM_hmdb_metabocards_official NA NA +EUR189 Beta-Carotene C40H56 536.4382 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR191 Lycopene C40H56 536.4382 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR189 ?-Carotene C40H56 536.4382 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR190 ?-Carotene C40H56 536.4382 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR191 Lycopene C40H56 536.4382 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR189 Beta-Carotene C40H56 536.4382 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR189 ?-Carotene C40H56 536.4382 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR190 ?-Carotene C40H56 536.4382 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR191 Lycopene C40H56 536.4382 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR189 Beta-Carotene C40H56 536.4382 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR189 ?-Carotene C40H56 536.4382 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR190 ?-Carotene C40H56 536.4382 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR191 Lycopene C40H56 536.4382 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR189 Beta-Carotene C40H56 536.4382 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR189 Beta-Carotene C40H56 536.4382 Wishlist HMDB NA NA +EUR191 Lycopene C40H56 536.4382 Wishlist HMDB NA NA +EUR189 Beta-Carotene C40H56 536.4382 Wishlist Inhouse_PFEM NA NA +EUR191 Lycopene C40H56 536.4382 Wishlist Inhouse_PFEM NA NA +EUR189 ?-Carotene C40H56 536.4382 Wishlist Inhousejuil11 NA NA +EUR190 ?-Carotene C40H56 536.4382 Wishlist Inhousejuil11 NA NA +EUR191 Lycopene C40H56 536.4382 Wishlist Inhousejuil11 NA NA +C02094 beta-Carotene C40H56 536.4382 NA KEGG NA NA +C05432 Lycopene C40H56 536.4382 NA KEGG NA NA +C05433 alpha-Carotene C40H56 536.4382 NA KEGG NA NA +C05435 gamma-Carotene C40H56 536.4382 NA KEGG NA NA +C08586 delta-Carotene C40H56 536.4382 NA KEGG NA NA +C15858 7,9,7',9'-Tetra-cis-lycopene C40H56 536.4382 NA KEGG NA NA +C16276 epsilon-Carotene C40H56 536.4382 NA KEGG NA NA +EUR189 Beta-Carotene C40H56 536.4382 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR191 Lycopene C40H56 536.4382 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR189 Beta-Carotene C40H56 536.4382 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR191 Lycopene C40H56 536.4382 Wishlist PFEM_hmdb_metabocards_official NA NA +MJ078624 3,4-Didehydro-1,2-dihydrolycopene C40H56 536.438201 NA MeJP NA NA +MJ078625 ?,?-Carotene C40H56 536.438201 NA MeJP NA NA +MJ078626 ?-Carotene C40H56 536.438201 NA MeJP NA NA +MJ078627 Lycopene C40H56 536.438201 NA MeJP NA NA +MJ078628 ?-Carotene C40H56 536.438201 NA MeJP NA NA +MJ078629 Lycopene C40H56 536.438201 NA MeJP NA NA +MJ078630 alpha-Carotene C40H56 536.438201 NA MeJP NA NA +MJ078631 beta-Carotene C40H56 536.438201 NA MeJP NA NA +MJ078632 gamma-Carotene C40H56 536.438201 NA MeJP NA NA +MetaCyc03802 β-carotene [] C40H56 536.438202 7235-40-7 metacyc NA NA +MetaCyc03803 γ-carotene [β,ψ-carotene;] C40H56 536.438202 NA metacyc NA NA +MetaCyc03804 α-carotene [] C40H56 536.438202 NA metacyc NA NA +MetaCyc03805 δ-carotene [ε,ψ-carotene;] C40H56 536.438202 NA metacyc NA NA +MetaCyc03806 trans-lycopene [ψ,ψ-carotene;] C40H56 536.438202 NA metacyc NA NA +MetaCyc03807 7,9-di-cis-lycopene [] C40H56 536.438202 NA metacyc NA NA +MetaCyc03808 prolycopene [7,9,9',7'-tetra-cis-lycopene;] C40H56 536.438202 NA metacyc NA NA +MetaCyc03809 ε-carotene [ε,ε-carotene;] C40H56 536.438202 NA metacyc NA NA +HMDB00561 B-Carotene C40H56 536.438232 NA HMDB2010 NA NA +HMDB02297 cis-y,y-Carotene C40H56 536.438232 NA HMDB2010 NA NA +HMDB02935 cis-b,b-Carotene C40H56 536.438232 NA HMDB2010 NA NA +HMDB03000 Lycopene C40H56 536.438232 NA HMDB2010 NA NA +HMDB03993 Alpha-Carotene C40H56 536.438232 NA HMDB2010 NA NA +MJ078633 Dammarane-3,12,20,24,25-pentol, 24,25-Isopropylidene (24-epimer 1) C33H60O5 536.444075 NA MeJP NA NA +MJ078634 Dammarane-3,12,20,24,25-pentol, 24,25-Isopropylidene (24-epimer 2) C33H60O5 536.444075 NA MeJP NA NA +HMDB07041 DG(14:1(9Z)/16:1(9Z)/0:0) C33H60O5 536.444092 NA HMDB2010 NA NA +HMDB07125 DG(16:1(9Z)/14:1(9Z)/0:0) C33H60O5 536.444092 NA HMDB2010 NA NA +MJ078635 2,4,6,8-Tetramethyldotriacontanoic acid C36H72O2 536.553231 NA MeJP NA NA +MJ078636 2,4,6-Trimethyltridecanoic acid; Eicosyl ester C36H72O2 536.553231 NA MeJP NA NA +MJ078637 25-Hydroxy-33-methyl-6-pentatriacontanone C36H72O2 536.553231 NA MeJP NA NA +MJ078638 34-Hydroxy-4-hexatriacontanone C36H72O2 536.553231 NA MeJP NA NA +MJ078639 Hentriacontanoic acid; Pentyl ester C36H72O2 536.553231 NA MeJP NA NA +MJ078640 Hexatriacontanoic acid C36H72O2 536.553231 NA MeJP NA NA +MJ078641 Triacontanoic acid; Hexyl ester C36H72O2 536.553231 NA MeJP NA NA +MJ078642 1-Heptatriacontanol C37H76O 536.589617 NA MeJP NA NA +MJ078643 10,11,32-Trimethyl-1-tetratriacontanol C37H76O 536.589617 NA MeJP NA NA +MJ078644 Sporidesmin G C18H20ClN3O6S4 536.992345 NA MeJP NA NA +MJ078645 CDPribitol C14H25N3O15P2 537.07609 NA MeJP NA NA +MetaCyc03810 CDP-ribitol [] C14H25N3O15P2 537.07609 NA metacyc NA NA +C00789 CDP-ribitol C14H25N3O15P2 537.0761 NA KEGG NA NA +MJ078646 Laccaic acid A1 C26H19NO12 537.090725 NA MeJP NA NA +MJ078647 Dynemicin A C30H19NO9 537.105981 NA MeJP NA NA +MJ078648 Endynamicin A C30H19NO9 537.105981 NA MeJP NA NA +C11471 Dynemicin A C30H19NO9 537.106 NA KEGG NA NA +MJ078649 Antibiotic FR 86521 C19H24N9O6S2(+) 537.12127 NA MeJP NA NA +MJ078650 10-(Methylthio)decyl glucosinolate; S,S-Dioxide C18H35NO11S3 537.137223 NA MeJP NA NA +PJ004316 GCDDE C18H27N5O12S 537.1377 NA PeJP NA NA +PJ004317 CDDW C22H27N5O9S 537.153 NA PeJP NA NA +MJ078651 Kirigamycin B C18H27N5O14 537.15545 NA MeJP NA NA +PJ004318 SSDDD C18H27N5O14 537.1555 NA PeJP NA NA +PJ004319 SPCCE C19H31N5O9S2 537.1563 NA PeJP NA NA +PJ004320 GCNNM C18H31N7O8S2 537.1676 NA PeJP NA NA +MJ078652 Aureonuclemycin; O9-Me, O4-(2-hydroxymethylbutenoyl) C22H27N5O11 537.170706 NA MeJP NA NA +PJ004321 GSDEM C19H31N5O11S 537.1741 NA PeJP NA NA +PJ004322 GPCMM C20H35N5O6S3 537.175 NA PeJP NA NA +MJ078653 Asaphan, 4''-Hydroxy C26H33Cl2N3O5 537.179726 NA MeJP NA NA +MJ078654 Cripowellin A C25H31NO12 537.184625 NA MeJP NA NA +MJ078655 Simmondsin; 3-O-De-Me, 2'-(4-hydroxy-3-methoxy-Z-cinnamoyl) C25H31NO12 537.184625 NA MeJP NA NA +MJ078656 Simmondsin; 4-O-De-Me, 2'-(4-hydroxy-3-methoxy-E-cinnamoyl) C25H31NO12 537.184625 NA MeJP NA NA +PJ004323 SSCNQ C18H31N7O10S 537.1853 NA PeJP NA NA +PJ004324 SDMW C23H31N5O8S 537.1894 NA PeJP NA NA +PJ004325 SSTDE C19H31N5O13 537.1918 NA PeJP NA NA +PJ004326 SSSEE C19H31N5O13 537.1919 NA PeJP NA NA +PJ004327 QEMM C20H35N5O8S2 537.1927 NA PeJP NA NA +MJ078657 Ravidomycin; O-De-Ac, N-oxide C29H31NO9 537.199881 NA MeJP NA NA +PJ004328 GSSSSN C18H31N7O12 537.2031 NA PeJP NA NA +PJ004329 CEMR C19H35N7O7S2 537.204 NA PeJP NA NA +PJ004330 GSPDY C23H31N5O10 537.2071 NA PeJP NA NA +PJ004331 AMMW C24H35N5O5S2 537.208 NA PeJP NA NA +PJ004332 GTTEM C20H35N5O10S 537.2105 NA PeJP NA NA +MJ078658 Saframycin A; Decyano C28H31N3O8 537.211114 NA MeJP NA NA +PJ004333 NMHH C21H31N9O6S 537.2118 NA PeJP NA NA +PJ004334 NNQY C22H31N7O9 537.2183 NA PeJP NA NA +PJ004335 GGGGQY C22H31N7O9 537.2184 NA PeJP NA NA +MJ078659 Ipecosidic acid; 1-Epimer, 6,7-di-Me ether, N-de-Ac C26H35NO11 537.22101 NA MeJP NA NA +PJ004336 SSCNK C19H35N7O9S 537.2217 NA PeJP NA NA +PJ004337 GEFW C27H31N5O7 537.2224 NA PeJP NA NA +PJ004338 TTMW C24H35N5O7S 537.2257 NA PeJP NA NA +PJ004339 STTTE C20H35N5O12 537.2282 NA PeJP NA NA +PJ004340 KEMM C21H39N5O7S2 537.2291 NA PeJP NA NA +PJ004341 GSTHH C21H31N9O8 537.2296 NA PeJP NA NA +MJ078660 1,2,6,9-Tetrahydroxydihydro-?-agarofuran, 6-(3-Pyridinecarbonyl), 9-benzoyl, 1-Ac C30H35NO8 537.236267 NA MeJP NA NA +MJ078661 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 6-benzoyl, 1-Ac C30H35NO8 537.236267 NA MeJP NA NA +MJ078662 1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 9-benzoyl, 1-Ac C30H35NO8 537.236267 NA MeJP NA NA +MJ078663 Ipalbidine, O-[4--Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C30H35NO8 537.236267 NA MeJP NA NA +MJ078664 Ipalbidine, O-[4--Hydroxy-Z-cinnamoyl-(?6)-?-D-glucopyranoside] C30H35NO8 537.236267 NA MeJP NA NA +MJ078665 Yaoundamine A; 6-O-?-L-Rhamnopyranoside C30H35NO8 537.236267 NA MeJP NA NA +PJ004342 PCRY C23H35N7O6S 537.237 NA PeJP NA NA +PJ004343 FWW C31H31N5O4 537.2376 NA PeJP NA NA +PJ004344 TMMR C20H39N7O6S2 537.2403 NA PeJP NA NA +PJ004345 VQEY C24H35N5O9 537.2435 NA PeJP NA NA +PJ004346 SSTLM C21H39N5O9S 537.2469 NA PeJP NA NA +PJ004347 AERY C23H35N7O8 537.2547 NA PeJP NA NA +PJ004348 GLYW C28H35N5O6 537.2588 NA PeJP NA NA +PJ004349 PKMY C25H39N5O6S 537.2621 NA PeJP NA NA +PJ004350 PEHR C22H35N9O7 537.266 NA PeJP NA NA +PJ004351 PVHW C27H35N7O5 537.27 NA PeJP NA NA +MJ078666 Lythrancine I; 3-Epimer, O3, O11-di-Ac C31H39NO7 537.272652 NA MeJP NA NA +MJ078667 Lythrancine I; 3-Epimer, O3,O4-di-Ac C31H39NO7 537.272652 NA MeJP NA NA +MJ078668 Lythrancine I; O3,O11-Di-Ac C31H39NO7 537.272652 NA MeJP NA NA +PJ004352 CLFR C24H39N7O5S 537.2734 NA PeJP NA NA +JH240 Taurocholic acid [M+Na]+ NA 537.2772 25.3 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH240 Taurocholic acid [M+Na]+ NA 537.2772 25.3 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH240 Taurocholic acid [M+Na]+ NA 537.2772 25.3 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH240 Taurocholic acid [M+Na]+ NA 537.2772 25.3 Inhousejuil11 NA NA +PJ004353 VKEY C25H39N5O8 537.2799 NA PeJP NA NA +EUR745 Lyso PC 18:4 [M+Na]+ C26H46NO7P 537.283138 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR745 Lyso PC 18:4 [M+Na]+ C26H46NO7P 537.283138 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR745 Lyso PC 18:4 [M+Na]+ C26H46NO7P 537.283138 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR745 Lyso PC 18:4 [M+Na]+ C26H46NO7P 537.283138 masses lipides attendues Inhousejuil11 NA NA +PJ004354 SLRY C24H39N7O7 537.2911 NA PeJP NA NA +PJ004355 PKFF C29H39N5O5 537.2951 NA PeJP NA NA +PJ004356 LKMF C26H43N5O5S 537.2985 NA PeJP NA NA +MJ078669 Butirosin A; 3',4'-Dideoxy, 6'-N-Me C22H43N5O10 537.300992 NA MeJP NA NA +MJ078670 Butirosin A; 3',4'-Dideoxy, 6'-N-methyl, 3''-epimer C22H43N5O10 537.300992 NA MeJP NA NA +EUR848 Lyso PE 18:2 [M-H+acetate]- C23H44NO7P 537.306642 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR848 Lyso PE 18:2 [M-H+acetate]- C23H44NO7P 537.306642 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR848 Lyso PE 18:2 [M-H+acetate]- C23H44NO7P 537.306642 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR848 Lyso PE 18:2 [M-H+acetate]- C23H44NO7P 537.306642 masses lipides attendues Inhousejuil11 NA NA +3259 beta-lactokinin HIRL 537.327 celiac toxic Inhouse_peptide NA peptide +PJ004357 GVLLH C25H43N7O6 537.3275 NA PeJP NA NA +MJ078671 Browniine; O14-(2-Methylpropanoyl) C29H47NO8 537.330167 NA MeJP NA NA +MJ078672 Mycinamycin II; 14-Deoxy, 21-O-demycinosyl C29H47NO8 537.330167 NA MeJP NA NA +MJ078673 Sabine; O3-Ac C29H47NO8 537.330167 NA MeJP NA NA +PJ004358 LLHR C24H43N9O5 537.3387 NA PeJP NA NA +2657 synthetic fr, of human beta-CN (161-165) ACE inhibitor VLPIP 537.34 NA Inhouse_peptide NA peptide +PJ004359 PPVLL C27H47N5O6 537.3527 NA PeJP NA NA +EUR741 Lyso PC 20:0 [M-H-CH3]- C28H58NO7P 537.379442 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR889 Lyso PE 22:0 monoisotopic mass C27H56NO7P 537.379442 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR741 Lyso PC 20:0 [M-H-CH3]- C28H58NO7P 537.379442 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR889 Lyso PE 22:0 monoisotopic mass C27H56NO7P 537.379442 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR741 Lyso PC 20:0 [M-H-CH3]- C28H58NO7P 537.379442 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR889 Lyso PE 22:0 monoisotopic mass C27H56NO7P 537.379442 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR741 Lyso PC 20:0 [M-H-CH3]- C28H58NO7P 537.379442 masses lipides attendues Inhousejuil11 NA NA +EUR889 Lyso PE 22:0 monoisotopic mass C27H56NO7P 537.379442 masses lipides attendues Inhousejuil11 NA NA +HMDB11490 LysoPE(0:0/22:0) C27H56NO7P 537.379456 NA HMDB2010 NA NA +HMDB11520 LysoPE(22:0/0:0) C27H56NO7P 537.379456 NA HMDB2010 NA NA +MJ078674 Nabazenil C35H55NO3 537.418194 NA MeJP NA NA +HMDB00790 N-Palmitoylsphingosine C34H67NO3 537.51208 http://www.hmdb.ca/metabolites/HMDB00790 HMDB NA NA +HMDB04949 Ceramide (d18:1/16:0) C34H67NO3 537.51208 http://www.hmdb.ca/metabolites/HMDB04949 HMDB NA NA +HMDB00790 N-Palmitoylsphingosine C34H67NO3 537.51208 HMDB00790 PFEM_hmdb_metabocards_official NA NA +HMDB04949 Ceramide (d18:1/16:0) C34H67NO3 537.51208 HMDB04949 PFEM_hmdb_metabocards_official NA NA +HMDB00790 N-Palmitoylsphingosine C34H67NO3 537.512085 NA HMDB2010 NA NA +HMDB04949 Ceramide (d18:1/16:0) C34H67NO3 537.512085 NA HMDB2010 NA NA +MJ078675 2-Amino-4-octadecene-1,3-diol, N-Hexadecanoyl C34H67NO3 537.512095 NA MeJP NA NA +7352 celiac sprue gluten epitope found in omega-gliadin PYPQQPYPS 537.741 MH2+ Inhouse_peptide NA peptide +MJ078676 Amathamide E; N-Me, 15-methoxy C17H21Br3N2O3 537.91023 NA MeJP NA NA +MJ078677 Securamine C; 18-Bromo C20H17Br2ClN4O2 537.940678 NA MeJP NA NA +MJ078678 ?-Rubromycin; 4?-Hydroxy C26H18O13 538.07474 NA MeJP NA NA +MJ078679 Laccaic acid B; 2''-Ac C26H18O13 538.07474 NA MeJP NA NA +MJ078680 3',5-Bigenistein C30H18O10 538.089996 NA MeJP NA NA +MJ078681 4',4''',5,5'',7,7''-Hexahydroxy-3,8''-biflavone C30H18O10 538.089996 NA MeJP NA NA +MJ078682 5,5'',6,6'',7,7''-Hexahydroxy-8,8''-biflavone C30H18O10 538.089996 NA MeJP NA NA +MJ078683 8,8-Bi(4',5,7-trihydroxyflavone) C30H18O10 538.089996 NA MeJP NA NA +MJ078684 Agathisflavone C30H18O10 538.089996 NA MeJP NA NA +MJ078685 Amentoflavone C30H18O10 538.089996 NA MeJP NA NA +MJ078686 Cassiamin C; 6,6'-Dihydroxy C30H18O10 538.089996 NA MeJP NA NA +MJ078687 Cladofulvin C30H18O10 538.089996 NA MeJP NA NA +MJ078688 Disulfuretin C30H18O10 538.089996 NA MeJP NA NA +MJ078689 Hinokiflavone C30H18O10 538.089996 NA MeJP NA NA +MJ078690 Iridoskyrine C30H18O10 538.089996 NA MeJP NA NA +MJ078691 Isoskyrin C30H18O10 538.089996 NA MeJP NA NA +MJ078692 Kudzuisoflavone A; 5,5'''-Dihydroxy C30H18O10 538.089996 NA MeJP NA NA +MJ078693 Lanaroflavone C30H18O10 538.089996 NA MeJP NA NA +MJ078694 Madagascarin C30H18O10 538.089996 NA MeJP NA NA +MJ078695 Ochnaflavone C30H18O10 538.089996 NA MeJP NA NA +MJ078696 Rhodoislandin A C30H18O10 538.089996 NA MeJP NA NA +MJ078697 Rhodoislandin B C30H18O10 538.089996 NA MeJP NA NA +MJ078698 Robustaflavone C30H18O10 538.089996 NA MeJP NA NA +MJ078699 Sennidin C30H18O10 538.089996 NA MeJP NA NA +MJ078700 Skyrin C30H18O10 538.089996 NA MeJP NA NA +MJ078701 Taiwaniaflavone C30H18O10 538.089996 NA MeJP NA NA +C10017 Agathisflavone C30H18O10 538.09 NA KEGG NA NA +C10018 Amentoflavone C30H18O10 538.09 NA KEGG NA NA +C10034 Cupressuflavone C30H18O10 538.09 NA KEGG NA NA +C10057 Hinokiflavone C30H18O10 538.09 NA KEGG NA NA +C10179 Robustaflavone C30H18O10 538.09 NA KEGG NA NA +HMDB02895 Sennidin B C30H18O10 538.090027 NA HMDB2010 NA NA +HMDB02895 Sennidin B C30H18O10 538.09003 http://www.hmdb.ca/metabolites/HMDB02895 HMDB NA NA +HMDB02895 Sennidin B C30H18O10 538.09003 HMDB02895 PFEM_hmdb_metabocards_official NA NA +MJ078702 Irieol F; 10-Ac C22H36Br2O5 538.092949 NA MeJP NA NA +MJ078703 Irieol F; 7-Ac C22H36Br2O5 538.092949 NA MeJP NA NA +C08745 Lithospermic acid C27H22O12 538.1111 NA KEGG NA NA +MJ078704 Lithospermic acid A C27H22O12 538.111126 NA MeJP NA NA +MJ078705 Salvianolic acid I C27H22O12 538.111126 NA MeJP NA NA +MJ078706 Salvianolic acid J C27H22O12 538.111126 NA MeJP NA NA +MJ078707 Yunnaneic acid D; 4-Ketone C27H22O12 538.111126 NA MeJP NA NA +MJ078708 Rheidin A; 2'-Me ether C31H22O9 538.126382 NA MeJP NA NA +FL5FEGGL0001 6-Hydroxymyricetin 6,3',5'-trimethyl ether 3-glucoside C24H26O14 538.13225 67963-64-8 knapsack NA NA +FL5FGCGL0001 Limocitrol 3-glucoside C24H26O14 538.13225 77133-42-7 knapsack NA NA +FL5FGCGL0003 Isolimocitrol 3-glucoside C24H26O14 538.13225 - knapsack NA NA +MJ078709 2-Glucosyl-1,3,7-trihydroxyxanthone; 2'-O-?-D-Apiofuranosyl C24H26O14 538.132255 NA MeJP NA NA +MJ078710 2-Glucosyl-1,3,7-trihydroxyxanthone; 6'-O-?-D-Apiofuranosyl C24H26O14 538.132255 NA MeJP NA NA +MJ078711 3,3',4',5,5',6,7-Heptahydroxyflavone; 3',5',6-Tri-Me ether, 3-O-?-D-glucopyranoside C24H26O14 538.132255 NA MeJP NA NA +MJ078712 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',6,8-Tri-Me ether, 3-O-?-D-glucopyranoside C24H26O14 538.132255 NA MeJP NA NA +MJ078713 3,3',4',5,6,7,8-Heptahydroxyflavone; 4',6,8-Tri-Me ether, 3-O-?-D-glucopyranoside C24H26O14 538.132255 NA MeJP NA NA +MJ078714 6-Galloylglucose; ?-D-Pyranose-form, 1-(4-Hydroxy-3,5-dimethoxycinnamoyl)(E-) C24H26O14 538.132255 NA MeJP NA NA +MJ078715 Prohibicin C19H23N8O9P 538.13256 NA MeJP NA NA +PJ004360 PCCCN C18H30N6O7S3 538.1338 NA PeJP NA NA +MJ078716 6-Glucosyl-4',5,7-trihydroxy-6-(4-hydroxybenzyl)flavone C28H26O11 538.147511 NA MeJP NA NA +MJ078717 8-Glucosyl-4',5,7-trihydroxy-6-(4-hydroxybenzyl)flavone C28H26O11 538.147511 NA MeJP NA NA +MJ078718 Gyrophoric acid; 4-Me ether, 2-Ac, Me ester, C28H26O11 538.147511 NA MeJP NA NA +PJ004361 GCNDM C18H30N6O9S2 538.1516 NA PeJP NA NA +MJ078719 Deoxycordifoline lactam C27H26N2O10 538.158745 NA MeJP NA NA +MJ078720 6-Chloro-2,8-epoxy-3,9,11,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 12-Ketone, 3,9,11-tri-Ac C26H31ClO10 538.160574 NA MeJP NA NA +MJ078721 6-Chloro-4,8,9,11-tetrahydroxy-12-oxo-2,5(16),13-briaratrien-18,7-olide; 4,9,11-Tri-Ac C26H31ClO10 538.160574 NA MeJP NA NA +MJ078722 Erythrolide A C26H31ClO10 538.160574 NA MeJP NA NA +MJ078723 2,2',4,4',6,6',7,7'-Octahydroxy-1,1'-biphenanthrene; 4,4',6,6'-Tetra-Me ether C32H26O8 538.162767 NA MeJP NA NA +MJ078724 2,2',4,4',6,6',7,7'-Octahydroxy-1,1'-biphenanthrene; 4,4',7,7'-Tetra-Me ether C32H26O8 538.162767 NA MeJP NA NA +MJ078725 2,2',4,4',7,7',8,8'-Octahydroxy-1,1'-biphenanthrene; 4,4',8,8'-Tetra-Me ether C32H26O8 538.162767 NA MeJP NA NA +MJ078726 Ararobinol; 6,6'-Dimethoxy C32H26O8 538.162767 NA MeJP NA NA +MJ078727 Emodinbianthrone; 2,2'-Di-Me ether C32H26O8 538.162767 NA MeJP NA NA +MJ078728 Rhuschalcone 1 C32H26O8 538.162767 NA MeJP NA NA +MJ078729 Shikometabolin D C32H26O8 538.162767 NA MeJP NA NA +MJ078730 Volucrin C32H26O8 538.162767 NA MeJP NA NA +PJ004362 CCQW C22H30N6O6S2 538.1668 NA PeJP NA NA +PJ004363 GACCW C22H30N6O6S2 538.1669 NA PeJP NA NA +MJ078731 1H-Naphtho[2,3-c]pyran-5,10-diol; Di-O-?-D-glucopyranoside C25H30O13 538.168641 NA MeJP NA NA +MJ078732 Bis(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)methane; 6-O-?-D-Glucopyranoside C25H30O13 538.168641 NA MeJP NA NA +MJ078733 Cachineside IV; 7-O-(4-Hydroxycinnamoyl) C25H30O13 538.168641 NA MeJP NA NA +MJ078734 Caryoptosidic acid; 6'-(4-Hydroxycinnamoyl)(E-) C25H30O13 538.168641 NA MeJP NA NA +MJ078735 Catalpol; 10-(3-Hydroxy-4-methoxy-E-cinnamoyl) C25H30O13 538.168641 NA MeJP NA NA +MJ078736 Catalpol; 6-(4-Hydroxy-3-methoxycinnamoyl) C25H30O13 538.168641 NA MeJP NA NA +MJ078737 Catalpol; 6-O-(3-Hydroxy-4-methoxycinnamoyl) C25H30O13 538.168641 NA MeJP NA NA +MJ078738 Fraxamoside C25H30O13 538.168641 NA MeJP NA NA +MJ078739 Grandifloroside C25H30O13 538.168641 NA MeJP NA NA +MJ078740 Mussaenosidic acid; 2'-(3,4-Dihydroxycinnamoyl) C25H30O13 538.168641 NA MeJP NA NA +MJ078741 Secologanol; 11-Carboxylic acid, 2'-(3,4-dihydroxycinnamoyl)(E-) C25H30O13 538.168641 NA MeJP NA NA +PJ004364 SSCNE C18H30N6O11S 538.1693 NA PeJP NA NA +PJ004365 GGSSCE C18H30N6O11S 538.1694 NA PeJP NA NA +MJ078742 Aglaroxin C C31H26N2O7 538.174001 NA MeJP NA NA +PJ004366 EEMM C20H34N4O9S2 538.1767 NA PeJP NA NA +MJ078743 8-Glucosyl-7-hydroxy-5-methyl-2-(1-propenyl)-4H-1-benzopyran-4-one; 7-Me ether, 2'-O-(4-hydroxy-E-cinnamoyl) C29H30O10 538.183897 NA MeJP NA NA +MJ078744 Aloesin; 7-Me ether, 2'-O-E-cinnamoyl C29H30O10 538.183897 NA MeJP NA NA +MJ078745 Thielavin B; Di-O-de-Me C29H30O10 538.183897 NA MeJP NA NA +PJ004367 GSSCW C22H30N6O8S 538.1846 NA PeJP NA NA +MJ078746 Picrasidine R C30H26N4O6 538.185234 NA MeJP NA NA +PJ004368 GSSSSD C18H30N6O13 538.1871 NA PeJP NA NA +PJ004369 GSNMM C19H34N6O8S2 538.188 NA PeJP NA NA +MJ078747 Loganic acid; 6'-O-?-D-Glucopyranosyl C22H34O15 538.18977 NA MeJP NA NA +MJ078748 Loganic acid; 6'-O-?-D-Glucopyranosyl C22H34O15 538.18977 NA MeJP NA NA +MJ078749 Loganic acid; 8-Epimer, ?-D-glucopyranosyl ester C22H34O15 538.18977 NA MeJP NA NA +HMDB00545 Chenodeoxycholic acid disulfate C23H38O10S2 538.19061 http://www.hmdb.ca/metabolites/HMDB00545 HMDB NA NA +HMDB00545 Chenodeoxycholic acid disulfate C23H38O10S2 538.19061 HMDB00545 PFEM_hmdb_metabocards_official NA NA +PJ004370 DEEF C23H30N4O11 538.1911 NA PeJP NA NA +PJ004371 DMHH C21H30N8O7S 538.1958 NA PeJP NA NA +MJ078750 6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 12-Propanoyl, 2,9-di-Ac C27H35ClO9 538.19696 NA MeJP NA NA +MJ078751 Punaglandin 3; 12-Ac C27H35ClO9 538.19696 NA MeJP NA NA +MJ078752 Punaglandin 3; 7Z-Isomer, 12-Ac C27H35ClO9 538.19696 NA MeJP NA NA +FL6FA9NC0001 8-trans-[2-(6-Benzoyloxy-4-hydroxy-2-methoxy-3-methylphenyl)ethenyl]-5-methoxyflavan-7-ol C33H30O7 538.19915 61136-14-9 knapsack NA NA +MJ078753 3,4-Dihydro-5-methoxy-12-methyl-2,8-diphenyl-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-11,13-diol; 3-Hydroxy, 5-Me ether C33H30O7 538.199153 NA MeJP NA NA +MJ078754 5,7-Dihydroxy-8-[2-(2,4,6-trihydroxy-3-methylphenyl)ethenyl]flavan; 2'',5-Di-Me ether, 6''-O-benzoyl C33H30O7 538.199153 NA MeJP NA NA +MJ078755 7-(8-Hydroxy-6-methoxy-7-methyl-2-phenyl-1,3-benzodioxepin-2-yl)-5-methoxyflavan C33H30O7 538.199153 NA MeJP NA NA +MJ078756 Asticolorin A C33H30O7 538.199153 NA MeJP NA NA +MJ078757 Dracoflavan B1 C33H30O7 538.199153 NA MeJP NA NA +MJ078758 Dracooxepine C33H30O7 538.199153 NA MeJP NA NA +PJ004372 GTCCR C18H34N8O7S2 538.1992 NA PeJP NA NA +PJ004373 NNEY C22H30N6O10 538.2024 NA PeJP NA NA +PJ004374 CCKW C23H34N6O5S2 538.2032 NA PeJP NA NA +MJ078759 1,4,5,8,10,13-Hexahydroxy-7(11)-muurolen-12,6-olide, 13-Tigloyl, 5,8,10-tri-Ac C26H34O12 538.205026 NA MeJP NA NA +MJ078760 1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 4-Deoxy, 5-?-D-glucopyranosyloxy C26H34O12 538.205026 NA MeJP NA NA +MJ078761 1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 4-O-?-D-Glucopyranoside C26H34O12 538.205026 NA MeJP NA NA +MJ078762 1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 9'-O-?-D-Glucopyranoside C26H34O12 538.205026 NA MeJP NA NA +MJ078763 1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; Diastereoisomer, 4-O-?-D-glucopyranoside C26H34O12 538.205026 NA MeJP NA NA +MJ078764 15,16-Epoxy-3,4-dihydroxy-13(16),14-clerodadiene-17,12:18,6-diolide, 3-O-?-D-Glucopyranoside C26H34O12 538.205026 NA MeJP NA NA +MJ078765 15,16-Epoxy-3,8-dihydroxy-19-nor-4,13(16),14-clerodatrien-17,12-olid-18-oic acid, 3-O-?-D-Glucopyranoside, Me ester C26H34O12 538.205026 NA MeJP NA NA +MJ078766 15,16-Epoxy-6,8-dihydroxy-19-nor-4,13(16),14-clerodatrien-17,12-olid-18-oic acid, 6-O-?-D-Glucopyranoside, Me ester C26H34O12 538.205026 NA MeJP NA NA +MJ078767 3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether, 7'-O-?-D-allopyranoside C26H34O12 538.205026 NA MeJP NA NA +MJ078768 3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether, 7'-O-?-D-glucopyranoside C26H34O12 538.205026 NA MeJP NA NA +MJ078769 7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 2'-Angeloyl, 3'-O-glucopyranoside C26H34O12 538.205026 NA MeJP NA NA +MJ078770 Ajugol; 6-O-(3,4-Dimethoxycinnamoyl)(E-) C26H34O12 538.205026 NA MeJP NA NA +MJ078771 Ajugol; 6-O-(3,4-Dimethoxycinnamoyl)(Z-) C26H34O12 538.205026 NA MeJP NA NA +MJ078772 Cycloolivil, 4-O-?-D-Glucopyranoside C26H34O12 538.205026 NA MeJP NA NA +MJ078773 Cypellocarpin B C26H34O12 538.205026 NA MeJP NA NA +MJ078774 Diosbulbinoside F C26H34O12 538.205026 NA MeJP NA NA +MJ078775 Neoolivil; 4-O-?-D-Glucopyranoside C26H34O12 538.205026 NA MeJP NA NA +MJ078776 Neoolivil; 9-O-?-D-Glucopyranoside C26H34O12 538.205026 NA MeJP NA NA +MJ078777 Olivil; 4'-O-?-D-Glucopyranoside C26H34O12 538.205026 NA MeJP NA NA +MJ078778 Olivil; 4-O-?-D-Glucopyranoside C26H34O12 538.205026 NA MeJP NA NA +PJ004375 SSSQM C19H34N6O10S 538.2057 NA PeJP NA NA +PJ004376 PEMY C24H34N4O8S 538.2098 NA PeJP NA NA +C11194 Morfamquat C26H36N4O4 538.2114 NA KEGG NA NA +PJ004377 GPNDH C21H30N8O9 538.2136 NA PeJP NA NA +PJ004378 SSSCR C18H34N8O9S 538.217 NA PeJP NA NA +PJ004379 GNYW C26H30N6O7 538.2176 NA PeJP NA NA +MJ078779 3,3',4,4',9-Pentahydroxy-7,9':7',9-diepoxylignan, 3,4'-Di-Me ether, 3',4-diangeloyl C30H34O9 538.220282 NA MeJP NA NA +MJ078780 Abiesol A C30H34O9 538.220282 NA MeJP NA NA +MJ078781 Cedrelone; 11?,12?-Diacetoxy C30H34O9 538.220282 NA MeJP NA NA +MJ078782 Gomisin Q; 5'-O-De-Me, 7-benzoyl C30H34O9 538.220282 NA MeJP NA NA +MJ078783 Sesquipinsapol A C30H34O9 538.220282 NA MeJP NA NA +PJ004380 NQMF C23H34N6O7S 538.221 NA PeJP NA NA +MJ078784 Antibiotic TAN 1030A; N6-(Isopropoxymethyl) C31H30N4O5 538.22162 NA MeJP NA NA +PJ004381 GSSSTT C19H34N6O12 538.2235 NA PeJP NA NA +PJ004382 GTCKM C20H38N6O7S2 538.2244 NA PeJP NA NA +MJ078785 Miharamycin A; N3-Deoxy C20H30N10O8 538.224807 NA MeJP NA NA +PJ004383 VEEY C24H34N4O10 538.2275 NA PeJP NA NA +PJ004384 CNFR C22H34N8O6S 538.2322 NA PeJP NA NA +MJ078786 Physalolactone C28H39ClO8 538.233345 NA MeJP NA NA +PJ004385 NDKY C23H34N6O9 538.2387 NA PeJP NA NA +PJ004386 GGDKY C23H34N6O9 538.2388 NA PeJP NA NA +MJ078787 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Hydroxy-3-methylpentanoyl), 3-O-O-?-D-glucopyranoside C27H38O11 538.241412 NA MeJP NA NA +MJ078788 Crepiside C; 8-(2-Hydroxy-3-methylpentanoyl) C27H38O11 538.241412 NA MeJP NA NA +MJ078789 Glaucarubol; 15-(2-Acetoxy-2-methylbutanoyl) C27H38O11 538.241412 NA MeJP NA NA +MJ078790 Javanicin B; 16?-O-?-D-Glucopyranoside C27H38O11 538.241412 NA MeJP NA NA +MJ078791 Picrasin B; 2-O-?-D-Glucopyranoside C27H38O11 538.241412 NA MeJP NA NA +PJ004387 SSSKM C20H38N6O9S 538.2421 NA PeJP NA NA +PJ004388 PPYY C28H34N4O7 538.2428 NA PeJP NA NA +PJ004389 LEMF C25H38N4O7S 538.2461 NA PeJP NA NA +3649 heparin-binding peptide APAKNVAWCT 538.24695 MH2+ Inhouse_peptide NA peptide +PJ004390 SNRY C22H34N8O8 538.25 NA PeJP NA NA +FL4DALNI0003 Kenusanone C C31H38O8 538.25666 144180-17-6 knapsack NA NA +MJ078792 18,19-Epoxy-3,12,14-clerodatriene-2,18,19-triol, 2-(4-Hydroxybenzoyl), 18,19-di-Ac C31H38O8 538.256668 NA MeJP NA NA +MJ078793 3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 14-Ketone, 3-benzoyl, 7,15-di-Ac C31H38O8 538.256668 NA MeJP NA NA +MJ078794 3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 7-Ketone, 3-benzoyl, 14,15-di-Ac C31H38O8 538.256668 NA MeJP NA NA +MJ078795 3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 14-Ketone, 3-benzoyl, 7,15-di-Ac C31H38O8 538.256668 NA MeJP NA NA +MJ078796 3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 7-Ketone, 3-benzoyl, 14,15-di-Ac C31H38O8 538.256668 NA MeJP NA NA +MJ078797 4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 13-Ketone, 5-cinnamoyl, 10-Ac C31H38O8 538.256668 NA MeJP NA NA +MJ078798 4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 13-Ketone, 5-cinnamoyl, 9-Ac C31H38O8 538.256668 NA MeJP NA NA +MJ078799 4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 13-Ketone, 5-cinnamoyl(E-), 10-Ac C31H38O8 538.256668 NA MeJP NA NA +MJ078800 6-Geranyl-2',3,4',5,6',7-hexahydroxy-8-prenylflavanone, 4'-Me ether C31H38O8 538.256668 NA MeJP NA NA +MJ078801 Onopordum illyricum Neolignan C31H38O8 538.256668 NA MeJP NA NA +MJ078802 Phototaxicin I; 5-Cinnamoyl (E-), 10-Ac C31H38O8 538.256668 NA MeJP NA NA +MJ078803 Phototaxicin I; 5-Cinnamoyl (E-), 9-Ac C31H38O8 538.256668 NA MeJP NA NA +MJ078804 Phototaxicin I; 5-Cinnamoyl (Z-), 10-Ac C31H38O8 538.256668 NA MeJP NA NA +MJ078805 Saucerneol C31H38O8 538.256668 NA MeJP NA NA +MJ078806 Turraflorin B; Ac C31H38O8 538.256668 NA MeJP NA NA +PJ004391 NKMF C24H38N6O6S 538.2574 NA PeJP NA NA +MJ078807 Okaramine O C32H34N4O4 538.258005 NA MeJP NA NA +MJ078808 Okaramine P C32H34N4O4 538.258005 NA MeJP NA NA +MJ078809 7-Megastigmene-3,5,6,9-tetrol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C24H42O13 538.262541 NA MeJP NA NA +PJ004392 VHHF C26H34N8O5 538.2652 NA PeJP NA NA +7899 peptide from human milk b-casein (50-53) IYPF 538.267 antioxidative Inhouse_peptide NA peptide +MJ078810 Antibiotic TMC 1C C30H38N2O7 538.267901 NA MeJP NA NA +8118 peptide derived from sardinelle by-products proteins (Sardinella aurita) GALAAH 538.274 anticancer Inhouse_peptide NA peptide +PJ004393 TQKY C24H38N6O8 538.2751 NA PeJP NA NA +MJ078811 11,15-Dihydroxy-16-kauren-19-oic acid, 15-Ac, 19-?-D-glucopyranosyl ester C28H42O10 538.277797 NA MeJP NA NA +MJ078812 3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-?-D-Xylopyranoside C28H42O10 538.277797 NA MeJP NA NA +MJ078813 3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-?-L-Lyxopyranoside C28H42O10 538.277797 NA MeJP NA NA +MJ078814 4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 14,15-Dihydro, 3-(2-methylpropanoyl), 6,19-di-Ac C28H42O10 538.277797 NA MeJP NA NA +MJ078815 4,18:11,16:15,16-Triepoxy-3,6,15,19-clerodanetetrol, 15-Et ether, 3,6,19-tri-Ac C28H42O10 538.277797 NA MeJP NA NA +MJ078816 6,13-Epoxy-7-eunicellene-2,3,4,9,12-pentol, 2,3,4,12-Tetra-Ac C28H42O10 538.277797 NA MeJP NA NA +MJ078817 6,13-Epoxy-7-eunicellene-2,3,4,9,12-pentol, 2,3,4,9-Tetra-Ac C28H42O10 538.277797 NA MeJP NA NA +MJ078818 6,13-Epoxy-8(19)-eunicellene-2,3,4,9,12-pentol, 2,3,4,9-Tetra-Ac C28H42O10 538.277797 NA MeJP NA NA +PJ004394 PLFY C29H38N4O6 538.2792 NA PeJP NA NA +PJ004395 LLMY C26H42N4O6S 538.2825 NA PeJP NA NA +MJ078819 Nafiverine C34H38N2O4 538.283157 NA MeJP NA NA +PJ004396 GPTKH C23H38N8O7 538.2864 NA PeJP NA NA +MJ078820 3,11,12,14-Tetrahydroxypregnan-20-one, 12-Cinnamoyl, 11-Ac C32H42O7 538.293053 NA MeJP NA NA +MJ078821 5,9,12,13,20-Pentahydroxy-1,6-tigladien-3-one, 20-Deoxy, 12-(2,4,6-decatrienoyl)(2Z,4E,6?-), 13-Ac C32H42O7 538.293053 NA MeJP NA NA +MJ078822 9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12-(2Z,4E,6?-Decatrienoyl), 13-Ac C32H42O7 538.293053 NA MeJP NA NA +MJ078823 Ivesianin C C32H42O7 538.293053 NA MeJP NA NA +MJ078824 Nimocinolide; 23-Me ether, 7-O-de-Ac, 7-O-(3-methyl-2-butenoyl) C32H42O7 538.293053 NA MeJP NA NA +C09091 Euphorbia factor Ti2 C32H42O7 538.2931 NA KEGG NA NA +MJ078825 5''-Amino-4',5''-dideoxybutirosin A C21H42N6O10 538.296241 NA MeJP NA NA +PJ004397 VQHR C22H38N10O6 538.2976 NA PeJP NA NA +MJ078826 Batrachotoxinin A; O20-2,4-Dimethyl-3-pyrrolecarboxylate C31H42N2O6 538.304287 NA MeJP NA NA +MJ078827 Crocacin A C31H42N2O6 538.304287 NA MeJP NA NA +C13750 Batrachotoxin C31H42N2O6 538.3043 NA KEGG NA NA +PJ004398 AHRR C21H38N12O5 538.3088 NA PeJP NA NA +PJ004399 TKKY C25H42N6O7 538.3115 NA PeJP NA NA +MJ078828 1,2,3,14,20,22,25-Heptahydroxycholest-7-en-6-one, 25-Ac C29H46O9 538.314183 NA MeJP NA NA +MJ078829 2,3,5,14,20,22,25-Heptahydroxycholest-7-en-6-one, 20-Ac C29H46O9 538.314183 NA MeJP NA NA +MJ078830 Antibiotic 2911-2 C29H46O9 538.314183 NA MeJP NA NA +MJ078831 Soraphen A; 12,13-Dihydro, 13?-hydroxy C29H46O9 538.314183 NA MeJP NA NA +PJ004400 LLFF C30H42N4O5 538.3155 NA PeJP NA NA +MJ078832 Pandaminine C30H42N4O5 538.31552 NA MeJP NA NA +MJ078833 Sanjoinine G2 C30H42N4O5 538.31552 NA MeJP NA NA +PJ004401 GPPLR C24H42N8O6 538.3228 NA PeJP NA NA +MJ078834 Thiobinupharidine; 6- or 6'-Ethoxy C32H46N2O3S 538.322914 NA MeJP NA NA +MJ078835 Deacylbengazole C; O10-(12-Methyltetradecanoyl) C28H46N2O8 538.325416 NA MeJP NA NA +MJ078836 Deacylbengazole C; O10-(13-Methyltetradecanoyl) C28H46N2O8 538.325416 NA MeJP NA NA +MJ078837 Deacylbengazole C; O10-Pentadecanoyl C28H46N2O8 538.325416 NA MeJP NA NA +MJ078838 1,3,5-Trihydroxyxanthone; 3,5-Di-Me ether, 1-octadecanoyl C33H46O6 538.329439 NA MeJP NA NA +MJ078839 7-Labdene-2,15-diol, 2-Ac, 15-O-(4-acetoxycinnamoyl) C33H46O6 538.329439 NA MeJP NA NA +MJ078840 Dilactonmycin C33H46O6 538.329439 NA MeJP NA NA +MJ078841 Cycloart-24-ene-3,23,28-triol, 3-O-Sulfate C30H50O6S 538.33281 NA MeJP NA NA +PJ004402 VKHR C23H42N10O5 538.334 NA PeJP NA NA +MJ078842 Virenamide A C31H46N4O2S 538.334147 NA MeJP NA NA +MJ078843 Gelliodesxanthin C37H46O3 538.344695 NA MeJP NA NA +PJ004403 PPVVK C26H46N6O6 538.3479 NA PeJP NA NA +MJ078844 7-Labdene-2,3,15-triol, 3-(2-Methylpropenoyl), 2-O-?-L-rhamnopyranoside C30H50O8 538.350568 NA MeJP NA NA +MJ078845 7-Labdene-2,3,15-triol, 3-Angeloyl, 2-O-?-xylopyranoside C30H50O8 538.350568 NA MeJP NA NA +MJ078846 Milnamide A C31H46N4O4 538.351905 NA MeJP NA NA +MJ078847 3,22-Dihydroxy-13,15,17(20),24-isomalabaricatetraen-12-one, Di-Ac C34H50O5 538.365824 NA MeJP NA NA +MJ078848 3,20-Diaminopregnane-4,12-diol, N3,N20,N20-Tri-Me, N3-benzoyl, 4-Ac C33H50N2O4 538.377058 NA MeJP NA NA +MJ078849 3,20-Diaminopregnane-4,16-diol, N3,N20,N20-Tri-Me, N3-benzoyl, 4-Ac C33H50N2O4 538.377058 NA MeJP NA NA +MJ078850 Dipiperitylmagnolol C38H50O2 538.38108 NA MeJP NA NA +C11903 Methanophenazine C37H50N2O 538.3923 NA KEGG NA NA +MJ078851 2-Phenazinol; O-(3,7,11,15,19-Pentamethyl-6,10,14,18-eicosatetraenyl)(3?,6E,10E,14E) C37H50N2O 538.392314 NA MeJP NA NA +MetaCyc03811 methanophenazine [] C37H50N2O1 538.392314 NA metacyc NA NA +MJ078852 8,13-Epoxy-14,15,16,19-labdanetetrol, 19-Dodecanoyl C32H58O6 538.423339 NA MeJP NA NA +MJ078853 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-Octadecanoyl C36H58O3 538.438595 NA MeJP NA NA +MJ078854 Ipexidine C26H54N10O2 538.443121 NA MeJP NA NA +MJ078855 1,2-Dihydrolycopene C40H58 538.453851 NA MeJP NA NA +MJ078856 7,7'-Dihydro-?-carotene C40H58 538.453851 NA MeJP NA NA +MJ078857 7,8-Dihydrolycopene C40H58 538.453851 NA MeJP NA NA +MJ078858 ?-Carotene; 1',2'-Dihydro C40H58 538.453851 NA MeJP NA NA +MJ078859 ?-Carotene; 7',8'-Dihydro C40H58 538.453851 NA MeJP NA NA +MJ078860 ?-Zeacarotene C40H58 538.453851 NA MeJP NA NA +MJ078861 Neurosporene C40H58 538.453851 NA MeJP NA NA +MJ078862 beta-Zeacarotene C40H58 538.453851 NA MeJP NA NA +MetaCyc03812 neurosporene [] C40H58 538.453852 NA metacyc NA NA +MetaCyc03813 proneurosporene [7,9,9'-tri-cis-neurosporene;] C40H58 538.453852 NA metacyc NA NA +MetaCyc03814 α-zeacarotene [] C40H58 538.453852 NA metacyc NA NA +MetaCyc03815 β-zeacarotene [] C40H58 538.453852 NA metacyc NA NA +HMDB03114 Neurosporene C40H58 538.453857 NA HMDB2010 NA NA +HMDB03114 Neurosporene C40H58 538.45386 http://www.hmdb.ca/metabolites/HMDB03114 HMDB NA NA +HMDB03114 Neurosporene C40H58 538.45386 HMDB03114 PFEM_hmdb_metabocards_official NA NA +C05431 Neurosporene C40H58 538.4539 NA KEGG NA NA +C05434 beta-Zeacarotene C40H58 538.4539 NA KEGG NA NA +C14146 alpha-Zeacarotene C40H58 538.4539 NA KEGG NA NA +C15907 1',2'-Dihydro-gamma-carotene C40H58 538.4539 NA KEGG NA NA +C16291 7,8-Dihydro-beta-carotene C40H58 538.4539 NA KEGG NA NA +HMDB07012 DG(14:0/16:1(9Z)/0:0) C33H62O5 538.459717 NA HMDB2010 NA NA +HMDB07040 DG(14:1(9Z)/16:0/0:0) C33H62O5 538.459717 NA HMDB2010 NA NA +HMDB07096 DG(16:0/14:1(9Z)/0:0) C33H62O5 538.459717 NA HMDB2010 NA NA +HMDB07124 DG(16:1(9Z)/14:0/0:0) C33H62O5 538.459717 NA HMDB2010 NA NA +MJ078863 20(29)-Lupen-3-ol, Heptanoyl C37H62O2 538.474981 NA MeJP NA NA +MJ078864 Tryptamine; Nb-Hexacosanoyl C36H62N2O 538.486214 NA MeJP NA NA +MJ078865 1,9-Tridecanediol; 1-Docosanoyl C35H70O3 538.532496 NA MeJP NA NA +MJ078866 6,8-Hexatriacontanediol C36H74O2 538.568881 NA MeJP NA NA +MJ078867 7,9-Hexatriacontanediol C36H74O2 538.568881 NA MeJP NA NA +7320 celiac sprue gluten epitope from gamma-gliadin PQPQQPQQQ 538.752 MH2+ Inhouse_peptide NA peptide +3413 ACE inhibitor LNPPHQIYP 538.77295 MH2+ Inhouse_peptide NA peptide +7576 ACE inhibitor from chicken muscle IVGRRRHQG 538.8065 MH2+ Inhouse_peptide NA peptide +MJ078868 Discorhabdin C; 14-Bromo C18H12Br3N3O2 538.847964 NA MeJP NA NA +HMDB12261 Molybdenum cofactor (sulfide) C10H12MoN5O7PS3 538.86908 NA HMDB2010 NA NA +C01806 GTP-gamma-S C10H16N5O13P3S 538.9678 NA KEGG NA NA +MJ078869 Laccaic acid C C25H17NO13 539.069989 NA MeJP NA NA +MJ078870 Mezlocillin C21H25N5O8S2 539.114454 NA MeJP NA NA +C07221 Mezlin C21H25N5O8S2 539.1145 NA KEGG NA NA +PJ004404 PCCCD C18H29N5O8S3 539.1179 NA PeJP NA NA +MJ078871 Cadystin B C18H29N5O10S2 539.135583 NA MeJP NA NA +PJ004405 GCDDM C18H29N5O10S2 539.1356 NA PeJP NA NA +C07361 Piperacillin sodium C23H26N5O7S 539.1451 NA KEGG NA NA +PJ004406 SCCNN C17H29N7O9S2 539.1468 NA PeJP NA NA +PJ004407 GGGGSCC C17H29N7O9S2 539.1469 NA PeJP NA NA +MJ078872 Thiangazole C26H29N5O2S3 539.148337 NA MeJP NA NA +PJ004408 CCEW C22H29N5O7S2 539.1509 NA PeJP NA NA +PJ004409 SSCDE C18H29N5O12S 539.1534 NA PeJP NA NA +MJ078873 Tunicome An1; 1'Z-Isomer, 3''-deoxy C26H25N3O10 539.153994 NA MeJP NA NA +MJ078874 Tunichrome An1; 3''-Deoxy C26H25N3O10 539.153994 NA MeJP NA NA +PJ004410 SPCCM C19H33N5O7S3 539.1542 NA PeJP NA NA +PJ004411 GSDMM C19H33N5O9S2 539.172 NA PeJP NA NA +PJ004412 NDEY C22H29N5O11 539.1864 NA PeJP NA NA +PJ004413 TCMW C23H33N5O6S2 539.1872 NA PeJP NA NA +PJ004414 APCCF C23H33N5O6S2 539.1873 NA PeJP NA NA +PJ004415 SSSEM C19H33N5O11S 539.1897 NA PeJP NA NA +MJ078875 Isotrityrosine C27H29N3O9 539.190379 NA MeJP NA NA +MJ078876 Pulcherosine C27H29N3O9 539.190379 NA MeJP NA NA +MJ078877 Trityrosine C27H29N3O9 539.190379 NA MeJP NA NA +PJ004416 QMMM C20H37N5O6S3 539.1906 NA PeJP NA NA +PJ004417 GSCHH C20H29N9O7S 539.1911 NA PeJP NA NA +PJ004418 GPDDH C21H29N7O10 539.1976 NA PeJP NA NA +PJ004419 GDYW C26H29N5O8 539.2016 NA PeJP NA NA +PJ004420 CMMR C19H37N7O5S3 539.2019 NA PeJP NA NA +PJ004421 GPTCY C23H33N5O8S 539.205 NA PeJP NA NA +PJ004422 GTTMM C20H37N5O8S2 539.2084 NA PeJP NA NA +MJ078878 8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-(3,4,5-Trimethoxycinnamoyl), 6-O-benzoyl, 7-Ac C29H33NO9 539.215531 NA MeJP NA NA +MJ078879 Stephavanine; N,O,O-Tri-Me C29H33NO9 539.215531 NA MeJP NA NA +MJ078880 Stephuline; 6-(3-Hydroxy-4-methoxycinnamoyl) C29H33NO9 539.215531 NA MeJP NA NA +PJ004423 CDFR C22H33N7O7S 539.2162 NA PeJP NA NA +33 Myofibrillar SIDDQEELM 539.219 MH2+ Inhouse_peptide NA peptide +PJ004424 GMFW C27H33N5O5S 539.2203 NA PeJP NA NA +PJ004425 TQEY C23H33N5O10 539.2228 NA PeJP NA NA +PJ004426 STTTM C20H37N5O10S 539.2261 NA PeJP NA NA +MJ078881 Saframycin A; Decyano, 25-alcohol C28H33N3O8 539.226765 NA MeJP NA NA +PJ004427 KMMM C21H41N5O5S3 539.227 NA PeJP NA NA +PJ004428 SDRY C22H33N7O9 539.234 NA PeJP NA NA +MJ078882 Antibiotic UCH 15A C23H29N11O5 539.235313 NA MeJP NA NA +MJ078883 Pyrronamycin A C23H29N11O5 539.235313 NA MeJP NA NA +PJ004429 ATYW C27H33N5O7 539.238 NA PeJP NA NA +2746 activating kinases and phosphatases peptide EPFYVNVPD 539.2414 antibacterial Inhouse_peptide NA peptide +PJ004430 VQMY C24H37N5O7S 539.2414 NA PeJP NA NA +MJ078884 Scutianene C C32H33N3O5 539.242021 NA MeJP NA NA +MJ078885 Palonidipine C29H34FN3O6 539.243164 NA MeJP NA NA +PJ004431 QQQH C21H33N9O8 539.2452 NA PeJP NA NA +PJ004432 PTHW C26H33N7O6 539.2493 NA PeJP NA NA +7362 celiac sprue gluten epitope found in hordein PQHQFPQPT 539.2515 MH2+ Inhouse_peptide NA peptide +MJ078886 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-O-(2-Methylaminobenzoyl), 13-Ac C30H37NO8 539.251917 NA MeJP NA NA +MJ078887 5,9,12,13,20-Pentahydroxy-1,6-tigladien-3-one, 12-O-(2-Methylaminobenzoyl), 13-Ac C30H37NO8 539.251917 NA MeJP NA NA +MJ078888 Cytochalasin C; 5?,6?:19?,20?-Diepoxide C30H37NO8 539.251917 NA MeJP NA NA +MJ078889 Cytochalasin Q; 13?,14?;19?,20?-Diepoxide C30H37NO8 539.251917 NA MeJP NA NA +MJ078890 Trideacetylpyripyropene A; 7-Deoxy, 19-propanoyl, 3-Ac C30H37NO8 539.251917 NA MeJP NA NA +PJ004433 AMRY C23H37N7O6S 539.2526 NA PeJP NA NA +PJ004434 NNHR C20H33N11O7 539.2565 NA PeJP NA NA +PJ004435 TKEY C24H37N5O9 539.2591 NA PeJP NA NA +PJ004436 PPPTE C24H37N5O9 539.2592 NA PeJP NA NA +MJ078891 Bannucine C29H37N3O7 539.26315 NA MeJP NA NA +PJ004437 PMHR C22H37N9O5S 539.2639 NA PeJP NA NA +PJ004438 TTRY C23H37N7O8 539.2704 NA PeJP NA NA +PJ004439 VQFF C28H37N5O6 539.2744 NA PeJP NA NA +PJ004440 VKMY C25H41N5O6S 539.2778 NA PeJP NA NA +MJ078892 Apramycin C21H41N5O11 539.280257 NA MeJP NA NA +MJ078893 Butirosin A; 4'-Deoxy C21H41N5O11 539.280257 NA MeJP NA NA +C01555 Apramycin C21H41N5O11 539.2803 NA KEGG NA NA +C01556 Azocasein C21H41N5O11 539.2803 NA KEGG NA NA +PJ004441 VEHR C22H37N9O7 539.2816 NA PeJP NA NA +PJ004442 VVHW C27H37N7O5 539.2856 NA PeJP NA NA +MJ078894 7-[3-[2-(Cyclopropylmethyl)-3-methoxy-4-[(methylamino)carbonyl]phenoxy]propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-propanoic acid C31H41NO7 539.288302 NA MeJP NA NA +MJ078895 Aconosine; 13-Acetoxy, 14-benzoyl C31H41NO7 539.288302 NA MeJP NA NA +MJ078896 Pyrodelphinine C31H41NO7 539.288302 NA MeJP NA NA +7360 celiac sprue gluten epitope found in hordein PLPRPQQPF 539.2885 MH2+ Inhouse_peptide NA peptide +7495 ACE inhibitor (from bovine b-CN) NIPPLTQTPV 539.29345 MH2+ Inhouse_peptide NA peptide +PJ004443 PPVVE C25H41N5O8 539.2955 NA PeJP NA NA +EUR725 Lyso PC 18:3 [M+Na]+ C26H48NO7P 539.298788 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR725 Lyso PC 18:3 [M+Na]+ C26H48NO7P 539.298788 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR725 Lyso PC 18:3 [M+Na]+ C26H48NO7P 539.298788 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR725 Lyso PC 18:3 [M+Na]+ C26H48NO7P 539.298788 masses lipides attendues Inhousejuil11 NA NA +EUR926 Lyso PE 24:6 [M-H-CH3]- C29H48NO7P 539.301192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR926 Lyso PE 24:6 [M-H-CH3]- C29H48NO7P 539.301192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR926 Lyso PE 24:6 [M-H-CH3]- C29H48NO7P 539.301192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR926 Lyso PE 24:6 [M-H-CH3]- C29H48NO7P 539.301192 masses lipides attendues Inhousejuil11 NA NA +PJ004444 GTLLH C24H41N7O7 539.3068 NA PeJP NA NA +PJ004445 VKFF C29H41N5O5 539.3108 NA PeJP NA NA +PJ004446 QKKH C23H41N9O6 539.318 NA PeJP NA NA +EUR722 Lyso PC 16:1 [M+FA-H]- C24H48NO7P 539.321722 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR722 Lyso PC 16:1 [M+FA-H]- C24H48NO7P 539.321722 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR722 Lyso PC 16:1 [M+FA-H]- C24H48NO7P 539.321722 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR722 Lyso PC 16:1 [M+FA-H]- C24H48NO7P 539.321722 masses lipides attendues Inhousejuil11 NA NA +EUR570 LysoPC(16:1) [M+FA-H]- 539.321725 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR570 LysoPC(16:1) [M+FA-H]- 539.321725 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR570 LysoPC(16:1) [M+FA-H]- 539.321725 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR570 LysoPC(16:1) [M+FA-H]- 539.321725 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR570 LysoPC(16:1) [M+FA-H]- 539.321725 identifiés dans sérum NuGO HMDB NA NA +EUR570 LysoPC(16:1) [M+FA-H]- 539.321725 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR570 LysoPC(16:1) [M+FA-H]- 539.321725 identifies dans serum NuGO Inhousejuil11 NA NA +EUR570 LysoPC(16:1) [M+FA-H]- 539.321725 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR570 LysoPC(16:1) [M+FA-H]- 539.321725 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR843 Lyso PE 18:1 [M-H+acetate]- C23H46NO7P 539.322292 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR843 Lyso PE 18:1 [M-H+acetate]- C23H46NO7P 539.322292 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR843 Lyso PE 18:1 [M-H+acetate]- C23H46NO7P 539.322292 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR843 Lyso PE 18:1 [M-H+acetate]- C23H46NO7P 539.322292 masses lipides attendues Inhousejuil11 NA NA +MJ078897 Isariin D C26H45N5O7 539.331898 NA MeJP NA NA +PJ004447 PPTLL C26H45N5O7 539.3319 NA PeJP NA NA +PJ004448 APPKK C25H45N7O6 539.3432 NA PeJP NA NA +MJ078898 Tumonoic acid B; Me ester C29H49NO8 539.345817 NA MeJP NA NA +PJ004449 KKKH C24H45N9O5 539.3544 NA PeJP NA NA +7415 ACE inhibitor VLIVP 539.356 antioxidative Inhouse_peptide NA peptide +MJ078899 Halichomycin C33H49NO5 539.361073 NA MeJP NA NA +PJ004450 PVVLL C27H49N5O6 539.3683 NA PeJP NA NA +HMDB06347 Hexacosanoyl carnitine C33H65NO4 539.49133 http://www.hmdb.ca/metabolites/HMDB06347 HMDB NA NA +HMDB06347 Hexacosanoyl carnitine C33H65NO4 539.49133 HMDB06347 PFEM_hmdb_metabocards_official NA NA +HMDB06347 Hexacosanoyl carnitine C33H65NO4 539.491333 NA HMDB2010 NA NA +HMDB11760 Cer(d18:0/16:0) C34H69NO3 539.527771 NA HMDB2010 NA NA +C14184 Mirex C10Cl12 539.6262 NA KEGG NA NA +MJ078900 3,3',4,4'-Tetrabromo-5,5'-dichloro-1,1'-dimethyl-2,2'-bi-1H-pyrrole C10H6Br4Cl2N2 539.664154 NA MeJP NA NA +C13620 Tetrabromobisphenol A C15H12Br4O2 539.7571 NA KEGG NA NA +MJ078901 Antibiotic BE 55051 C22H9Cl5N2O4 539.900495 NA MeJP NA NA +MJ078902 Antibiotic SQ 14359 C18H20N8O6S3 540.066792 NA MeJP NA NA +MJ078903 Griseorhodin C; 8-Me ether C26H20O13 540.09039 NA MeJP NA NA +MJ078904 4',4''',5,5'',7,7''-Hexahydroxy-3',3'''-biflavone; 2S,3-Dihydro C30H20O10 540.105646 NA MeJP NA NA +MJ078905 Amentoflavone; 2'',3''-Dihydro C30H20O10 540.105646 NA MeJP NA NA +MJ078906 Amentoflavone; 2,3-Dihydro C30H20O10 540.105646 NA MeJP NA NA +MJ078907 Hinokiflavone; 2,3-Dihydro C30H20O10 540.105646 NA MeJP NA NA +MJ078908 Lanceolatin A C30H20O10 540.105646 NA MeJP NA NA +MJ078909 Mesuaferrone A; 2,3-Didehydro C30H20O10 540.105646 NA MeJP NA NA +MJ078910 Ochnaflavone; 2'',3''-Dihydro C30H20O10 540.105646 NA MeJP NA NA +MJ078911 Ochnaflavone; 2,3-Dihydro C30H20O10 540.105646 NA MeJP NA NA +MJ078912 Rhusflavanone; 2'',3''-Didehydro C30H20O10 540.105646 NA MeJP NA NA +MJ078913 Tectograndone C30H20O10 540.105646 NA MeJP NA NA +MJ078914 Volkensiflavone C30H20O10 540.105646 NA MeJP NA NA +MJ078915 Hiascic acid; 4-Me ether, 5-Ac C27H24O12 540.126776 NA MeJP NA NA +MJ078916 Yunnaneic acid D C27H24O12 540.126776 NA MeJP NA NA +PJ004451 SCCND C17H28N6O10S2 540.1309 NA PeJP NA NA +MJ078917 Sceptrin; 3'-Debromo C22H25BrN10O2 540.134532 NA MeJP NA NA +MJ078918 ?-Sorigenin; 6-Methoxy, 8-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C24H28O14 540.147905 NA MeJP NA NA +MJ078919 Adoxosidic acid; 10-O-(4-Carboxy-2-hydroxybenzoyl) C24H28O14 540.147905 NA MeJP NA NA +MJ078920 Kingiside; 8-Epimer, 6'-O-(2,5-dihydroxybenzoyl) C24H28O14 540.147905 NA MeJP NA NA +PJ004452 GCCQM C18H32N6O7S3 540.1495 NA PeJP NA NA +MJ078921 N,N'-Bis(?-glutamyl)-3,3'-(1,2-propylenedithio)dialanine C19H32N4O10S2 540.155984 NA MeJP NA NA +PJ004453 GCCCR C17H32N8O6S3 540.1607 NA PeJP NA NA +MJ078922 Aloesin; 2'-O-(4-Hydroxy-E-cinnamoyl) C28H28O11 540.163161 NA MeJP NA NA +MJ078923 Aloesin; 2'-O-(4-Hydroxy-Z-cinnamoyl) C28H28O11 540.163161 NA MeJP NA NA +MJ078924 Aloesin; 6'-O-(4-Hydroxy-E-cinnamoyl) C28H28O11 540.163161 NA MeJP NA NA +MJ078925 Dehydrobruceolide; 15-Benzoyl C28H28O11 540.163161 NA MeJP NA NA +MJ078926 Diphyllin; O-[3,4-Di-O-methyl-D-xylopyranoside] C28H28O11 540.163161 NA MeJP NA NA +MJ078927 Dukunolide A; 30?-Acetoxy C28H28O11 540.163161 NA MeJP NA NA +C10548 Cleistanthin A C28H28O11 540.1632 NA KEGG NA NA +C17781 2''-o-p-Coumaroylaloesin C28H28O11 540.1632 NA KEGG NA NA +PJ004454 SSCNM C18H32N6O9S2 540.1672 NA PeJP NA NA +MJ078928 Hyperlatolic acid; 3,5-Dichloro, O-de-Me, 2'-Me ether C27H34Cl2O7 540.168158 NA MeJP NA NA +MJ078929 Antirrhinoside; 10-Hydroxy, 5-O-?-D-glucopyranoside C21H32O16 540.169034 NA MeJP NA NA +PJ004455 DDEY C22H28N4O12 540.1704 NA PeJP NA NA +MJ078930 15-Bromo-9(11)-parguerene-2,7,16,19-tetrol, 2,16,19-Tri-Ac C26H37BrO7 540.172266 NA MeJP NA NA +MJ078931 15-Bromo-9(11)-parguerene-2,7,16,19-tetrol, 2,7,16-Tri-Ac C26H37BrO7 540.172266 NA MeJP NA NA +MJ078932 Isoparguerol; 7,16-Di-Ac C26H37BrO7 540.172266 NA MeJP NA NA +MJ078933 Pauridianthoside C27H28N2O10 540.174395 NA MeJP NA NA +PJ004456 EMMM C20H36N4O7S3 540.1746 NA PeJP NA NA +MJ078934 6-Chloro-2,8,9,11,12-pentahydroxy-3,5(16),13-briaratrien-18,7-olide; 2,9,12-Tri-Ac C26H33ClO10 540.176224 NA MeJP NA NA +MJ078935 6-Chloro-2,8,9,11,12-pentahydroxy-3,5(16),13-briaratrien-18,7-olide; 9-Epimer, 2,9,12-tri-Ac C26H33ClO10 540.176224 NA MeJP NA NA +MJ078936 6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 13?,14?-Epoxide, 2,9,12-tri-Ac C26H33ClO10 540.176224 NA MeJP NA NA +MJ078937 6-Chloro-2,8,9,14-tetrahydroxy-3,5(16),11(20)-briaratrien-18,7-olide, 11?,20-Epoxide, 2,9,14-tri-Ac C26H33ClO10 540.176224 NA MeJP NA NA +MJ078938 6-Chloro-2,8-epoxy-3,9,11,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 9,11,12-Tri-Ac C26H33ClO10 540.176224 NA MeJP NA NA +MJ078939 6-Chloro-4,8-epoxy-2,4,9,14-tetrahydroxy-5(16),11(20)-briaradien-18,7-olide; 2,9,14-Tri-Ac C26H33ClO10 540.176224 NA MeJP NA NA +MJ078940 6-Chloro-4,8-epoxy-2,4,9,14-tetrahydroxy-5(16),11(20)-briaradien-18,7-olide; Enantiomer, 2,9,14-tri-Ac C26H33ClO10 540.176224 NA MeJP NA NA +MJ078941 2',4',7-Trihydroxy-3-(2',4',7-trihydroxyisoflavan-5'-yl)-2-flavene, 4',4''-Di-Me ether C32H28O8 540.178417 NA MeJP NA NA +MJ078942 2',4',7-Trihydroxy-3-(2',4',7-trihydroxyisoflavan-6-yl)flav-2-ene, 4',4'''-Di-Me ether C32H28O8 540.178417 NA MeJP NA NA +MJ078943 2-(3,4-Dihydro-10-hydroxy-9-methoxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-5-yl)-1,8-dihydroxy-6-methyl-9,10-anthraquinone; 7'-Methoxy C32H28O8 540.178417 NA MeJP NA NA +MJ078944 Shikometabolin C C32H28O8 540.178417 NA MeJP NA NA +MJ078945 Xanthorrhone; 4'-Hydroxy C32H28O8 540.178417 NA MeJP NA NA +MJ078946 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C25H32O13 540.184291 NA MeJP NA NA +MJ078947 2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 6-Me ether, 8-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C25H32O13 540.184291 NA MeJP NA NA +MJ078948 2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 6-Me ether, 8-O-[?-D-xylopyranosyl-(1?6)-?-D- glucopyranoside] C25H32O13 540.184291 NA MeJP NA NA +MJ078949 2-Acetyl-3-methyl-1,8-naphthalenediol; 8-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C25H32O13 540.184291 NA MeJP NA NA +MJ078950 Dihydrooroselol, O-[Apiofuranosyl-?-D-glucopyranoside] C25H32O13 540.184291 NA MeJP NA NA +MJ078951 Harpagide; 8-O-(4-Hydroxy-3-methoxycinnamoyl) C25H32O13 540.184291 NA MeJP NA NA +MJ078952 Iridolinarin C; 7'?-Hydroxy C25H32O13 540.184291 NA MeJP NA NA +MJ078953 Isoligustrosidic acid; 3''-Hydroxy, Me ester C25H32O13 540.184291 NA MeJP NA NA +MJ078954 Ligustaloside B C25H32O13 540.184291 NA MeJP NA NA +MJ078955 Oleuropein C25H32O13 540.184291 NA MeJP NA NA +MJ078956 Oleuroside C25H32O13 540.184291 NA MeJP NA NA +MJ078957 Paulownioside; 7-Epimer, 10-(4-methoxy-E-cinnamoyl) C25H32O13 540.184291 NA MeJP NA NA +MJ078958 Paulownioside; 7-Epimer, 10-(4-methoxy-Z-cinnamoyl) C25H32O13 540.184291 NA MeJP NA NA +MJ078959 Paulownioside; 8-Epimer, 10-(4-methoxy-E-cinnamoyl) C25H32O13 540.184291 NA MeJP NA NA +MJ078960 Paulownioside; 8-Epimer, 10-(4-methoxy-Z-cinnamoyl) C25H32O13 540.184291 NA MeJP NA NA +MJ078961 Syringopicrogenin A; 3'-Methoxy, 3''-hydroxy, 8-O-?-D-glucopyranoside C25H32O13 540.184291 NA MeJP NA NA +JH241 Oleuropein [M+H]+ C25H32O13 540.1843 14.15 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH241 Oleuropein [M+H]+ C25H32O13 540.1843 14.15 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH241 Oleuropein [M+H]+ C25H32O13 540.1843 14.15 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH241 Oleuropein [M+H]+ C25H32O13 540.1843 14.15 Inhousejuil11 NA NA +C09794 Oleuropein C25H32O13 540.1843 NA KEGG NA NA +C11664 10-Deoxygeniposide tetraacetate C25H32O13 540.1843 NA KEGG NA NA +C11665 7-Deoxygardoside metyl ester tetraacetate C25H32O13 540.1843 NA KEGG NA NA +PJ004457 GSSSTC C18H32N6O11S 540.185 NA PeJP NA NA +PJ004458 GCCKM C19H36N6O6S3 540.1859 NA PeJP NA NA +PJ004459 DEMF C23H32N4O9S 540.189 NA PeJP NA NA +MJ078962 Aglaiastatin; 3'-Hydroxy, 5a''',N6'''-didehydro C31H28N2O7 540.189651 NA MeJP NA NA +FL63ACNC0002 Pilosanol A C29H32O10 540.19954 142542-76-5 knapsack NA NA +MJ078963 Aloesinol, 7-Me ether, 2''-O-cinnamoyl(E-) C29H32O10 540.199547 NA MeJP NA NA +MJ078964 Daphnetoxin; 12?-Acetoxy C29H32O10 540.199547 NA MeJP NA NA +MJ078965 Pilosanol A C29H32O10 540.199547 NA MeJP NA NA +MJ078966 Schizantherin L; Ac C29H32O10 540.199547 NA MeJP NA NA +PJ004460 NNMY C22H32N6O8S 540.2002 NA PeJP NA NA +PJ004461 GGNMY C22H32N6O8S 540.2003 NA PeJP NA NA +PJ004462 SSSSSS C18H32N6O13 540.2027 NA PeJP NA NA +PJ004463 STCCK C19H36N6O8S2 540.2036 NA PeJP NA NA +MJ078967 Heteropsine C35H28N2O4 540.204907 NA MeJP NA NA +PJ004464 TEEY C23H32N4O11 540.2068 NA PeJP NA NA +PJ004465 PMMY C24H36N4O6S2 540.2076 NA PeJP NA NA +MJ078968 Antibiotic FR 183739 C24H36N4O6S2 540.207626 NA MeJP NA NA +MJ078969 Antibiotic FR 901228 C24H36N4O6S2 540.207626 NA MeJP NA NA +MJ078970 Vincosamide; 3-Epimer, 2'-Ac C28H32N2O9 540.21078 NA MeJP NA NA +MJ078971 Lyaloside; Nb-Me C28H33N2O9(+) 540.21078 NA MeJP NA NA +PJ004466 GPCQH C21H32N8O7S 540.2115 NA PeJP NA NA +MJ078972 Punaglandin 3; 17,18-Dihydro, 12-Ac C27H37ClO9 540.21261 NA MeJP NA NA +MJ078973 Punaglandin 3; 17,18-Dihydro, 7Z-isomer, 12-Ac C27H37ClO9 540.21261 NA MeJP NA NA +MJ078974 Punaglandin 5; 12-Ac C27H37ClO9 540.21261 NA MeJP NA NA +FL2FA9NC0007 Leucadenone A C33H32O7 540.2148 249915-34-2 knapsack NA NA +FL2FA9NC0008 Leucadenone B C33H32O7 540.2148 249915-36-4 knapsack NA NA +FL2FA9NC0009 Leucadenone C C33H32O7 540.2148 249915-38-6 knapsack NA NA +FL2FA9NC0010 Leucadenone D C33H32O7 540.2148 249915-39-7 knapsack NA NA +MJ078975 Citrumarin B C33H32O7 540.214803 NA MeJP NA NA +MJ078976 Citrumarin D C33H32O7 540.214803 NA MeJP NA NA +MJ078977 Dacroidain C33H32O7 540.214803 NA MeJP NA NA +MJ078978 Dalcriodain C33H32O7 540.214803 NA MeJP NA NA +MJ078979 Leucadenone A C33H32O7 540.214803 NA MeJP NA NA +PJ004467 GSSQY C22H32N6O10 540.218 NA PeJP NA NA +MJ078980 2,3,8,9,11,12,17-Heptahydroxy-5,13-briaradien-18,7-olide, 2,3,9-Tri-Ac C26H36O12 540.220676 NA MeJP NA NA +MJ078981 2,8,9,11,12,14,16-Heptahydroxy-3,5-briaradien-18,7-olide, 2,9,14-Tri-Ac C26H36O12 540.220676 NA MeJP NA NA +MJ078982 3,3',4,5',7,9,9'-Heptahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9'-O-?-L-rhamnopyranoside C26H36O12 540.220676 NA MeJP NA NA +MJ078983 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9'-O-?-D-glucopyranoside C26H36O12 540.220676 NA MeJP NA NA +MJ078984 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 4-O-?-D-glucopyranoside C26H36O12 540.220676 NA MeJP NA NA +MJ078985 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 7-O-?-D-glucopyranoside C26H36O12 540.220676 NA MeJP NA NA +MJ078986 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9'-O-?-D-glucopyranoside C26H36O12 540.220676 NA MeJP NA NA +MJ078987 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 7-O-?-D-glucopyranoside C26H36O12 540.220676 NA MeJP NA NA +MJ078988 Chaparrin; 2-O-?-D-Glucopyranoside, 13,18-didehydro C26H36O12 540.220676 NA MeJP NA NA +MJ078989 Foliamenthin C26H36O12 540.220676 NA MeJP NA NA +MJ078990 Jasminin; 8,9-Didehydro C26H36O12 540.220676 NA MeJP NA NA +PJ004468 PDFY C27H32N4O8 540.222 NA PeJP NA NA +MJ078991 Pyridomycin C27H32N4O8 540.222014 NA MeJP NA NA +PJ004469 VEMY C24H36N4O8S 540.2254 NA PeJP NA NA +PJ004470 QQEH C21H32N8O9 540.2292 NA PeJP NA NA +PJ004471 GAQEH C21H32N8O9 540.2293 NA PeJP NA NA +PJ004472 NNFF C26H32N6O7 540.2333 NA PeJP NA NA +MJ078992 1-(3,4-Dimethoxyphenyl)-3-(3-ethyl-1-oxopentyl)-4-hydroxy-6,7,8-trimethoxy-2-naphthalenecarboxylic acid; Me ester C30H36O9 540.235932 NA MeJP NA NA +MJ078993 15,16-Epoxy-2,3-dihydroxy-13(16),14-clerodadiene-18,19:20,12-diolide, 2-(3-Methyl-2-butenoyl), 3-angeloyl C30H36O9 540.235932 NA MeJP NA NA +MJ078994 15,16-Epoxy-2,3-dihydroxy-13(16),14-clerodadiene-18,19:20,12-diolide, 2-Angeloyl, 3-(3-methyl-2-butenoyl) C30H36O9 540.235932 NA MeJP NA NA +MJ078995 Gedunin; 11?-Acetoxy C30H36O9 540.235932 NA MeJP NA NA +MJ078996 Gedunin; 6?-Acetoxy C30H36O9 540.235932 NA MeJP NA NA +MJ078997 Isonimolicinolide C30H36O9 540.235932 NA MeJP NA NA +MJ078998 Nimbin C30H36O9 540.235932 NA MeJP NA NA +MJ078999 Sesquipinsapol A; 9?-Alcohol (lactol) C30H36O9 540.235932 NA MeJP NA NA +MJ079000 Sesquipinsapol B C30H36O9 540.235932 NA MeJP NA NA +PJ004473 CQKY C23H36N6O7S 540.2366 NA PeJP NA NA +PJ004474 GAPPPC C23H36N6O7S 540.2367 NA PeJP NA NA +PJ004475 NDHR C20H32N10O8 540.2405 NA PeJP NA NA +PJ004476 PMFF C28H36N4O5S 540.2407 NA PeJP NA NA +PJ004477 LMMF C25H40N4O5S2 540.244 NA PeJP NA NA +PJ004478 AQHW C25H32N8O6 540.2445 NA PeJP NA NA +PJ004479 GPCKH C22H36N8O6S 540.2479 NA PeJP NA NA +MJ079001 Ingenol; 20-Deoxy, 3,5-dibenzoyl C34H36O6 540.251188 NA MeJP NA NA +PJ004480 GSSKY C23H36N6O9 540.2544 NA PeJP NA NA +HMDB10357 Tetrahydroaldosterone-3-glucuronide C27H40O11 540.25708 NA HMDB2010 NA NA +MJ079002 Safracin A; 8-Hydroxy C28H36N4O7 540.258399 NA MeJP NA NA +PJ004481 PVYY C28H36N4O7 540.2584 NA PeJP NA NA +MJ079003 Saccharocin C21H40N4O12 540.264272 NA MeJP NA NA +C17998 Saccharocin C21H40N4O12 540.2643 NA KEGG NA NA +PJ004482 GPPDR C22H36N8O8 540.2656 NA PeJP NA NA +PJ004483 AAPPW C27H36N6O6 540.2697 NA PeJP NA NA +MJ079004 11,16:15,16-Diepoxy-1,6,7-trihydroxy-18-clerodanal, 7-Cinnamoyl(E-), 1-Ac C31H40O8 540.272318 NA MeJP NA NA +MJ079005 3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 14,15-di-Ac C31H40O8 540.272318 NA MeJP NA NA +MJ079006 3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 7,14-di-Ac C31H40O8 540.272318 NA MeJP NA NA +MJ079007 3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 14,15-di-Ac C31H40O8 540.272318 NA MeJP NA NA +MJ079008 3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 7,14-di-Ac C31H40O8 540.272318 NA MeJP NA NA +MJ079009 3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 7,15-di-Ac C31H40O8 540.272318 NA MeJP NA NA +MJ079010 5,11-Jatrophadiene-3,7,9,14,15-pentol, 7-Ketone, 3-benzoyl, 9,14-di-Ac C31H40O8 540.272318 NA MeJP NA NA +MJ079011 7-O-(3-Hydroxy-7-drimen-11-yl)isofraxidin, 6'-Oxo, 3'-O-(3-methylbutanoyl) C31H40O8 540.272318 NA MeJP NA NA +MJ079012 Acrovestone; O-De-Me C31H40O8 540.272318 NA MeJP NA NA +MJ079013 Calbistrin A C31H40O8 540.272318 NA MeJP NA NA +MJ079014 Swietenolide; 6-Deoxy, 3-butanoyl C31H40O8 540.272318 NA MeJP NA NA +MJ079015 Swietenolide; 6-Deoxy, O-(2-methylpropanoyl) C31H40O8 540.272318 NA MeJP NA NA +PJ004484 CKKY C24H40N6O6S 540.273 NA PeJP NA NA +MJ079016 Gypsetin C32H36N4O4 540.273655 NA MeJP NA NA +PJ004485 TQHR C21H36N10O7 540.2769 NA PeJP NA NA +MJ079017 Chrestifoline C C37H36N2O2 540.277678 NA MeJP NA NA +MJ079018 Murrastifoline C C37H36N2O2 540.277678 NA MeJP NA NA +PJ004486 AKHW C26H36N8O5 540.2809 NA PeJP NA NA +MJ079019 Antibiotic TMC 1C; 4',5'-Dihydro C30H40N2O7 540.283551 NA MeJP NA NA +MJ079020 Caribaeoside; Aglycone, 15-Ac C30H40N2O7 540.283551 NA MeJP NA NA +PJ004487 APPKE C24H40N6O8 540.2908 NA PeJP NA NA +MJ079021 14-Labdene-3,6,8,12,13,20-hexol, 6,8,12,20-Tetra-Ac C28H44O10 540.293447 NA MeJP NA NA +MJ079022 16,17,19-Kauranetriol, 19-Carboxylic acid, 17-Ac, ?-D-glucopyranosyl ester C28H44O10 540.293447 NA MeJP NA NA +MJ079023 2,3,5,14,20,22,25-Heptahydroxy-6-oxocholest-7-en-26-oic acid, Me ester C28H44O10 540.293447 NA MeJP NA NA +MJ079024 3,8(17)-Dolabelladiene-2,7,9,16,18-pentol, 16-(3-Hydroxy-3-methylglutaroyl), 18-Ac C28H44O10 540.293447 NA MeJP NA NA +MJ079025 3,8(17)-Dolabelladiene-2,7,9,16,18-pentol, 16-(3-Hydroxy-3-methylglutaroyl), 2-Ac C28H44O10 540.293447 NA MeJP NA NA +MJ079026 8,9-Epoxy-3-dolabellene-2,7,16,18-tetrol, 16-(3-Hydroxy-3-methylglutaryl), 18-Ac C28H44O10 540.293447 NA MeJP NA NA +MJ079027 8,9-Epoxy-3-dolabellene-2,7,16,18-tetrol, 16-(3-Hydroxy-3-methylglutaryl), 2-Ac C28H44O10 540.293447 NA MeJP NA NA +MJ079028 4,4'-[(1,3-Dioxo-1,3-propanediyl)diimino]bisbenzoic acid; Bis[2-(diethylamino)ethyl] ester C29H40N4O6 540.294785 NA MeJP NA NA +MJ079029 Phoenistatin C29H40N4O6 540.294785 NA MeJP NA NA +PJ004488 VLFY C29H40N4O6 540.2948 NA PeJP NA NA +PJ004489 APPTR C23H40N8O7 540.302 NA PeJP NA NA +7703 pyrokinin TENMO-PK-1 HVVNFTPRL~ 540.30245 MH2+ Inhouse_peptide NA peptide +MJ079030 3,25-Dihydroxy-12,15-dioxo-13,16,20(22),23-isomalabaricatetraen-29-oic acid, 3-Ac C32H44O7 540.308703 NA MeJP NA NA +MJ079031 3,3',4,4',9,9'-Hexahydroxylignan, 3,4:3',4'-Bis(methylene) ether, 9-O-dodecanoyl C32H44O7 540.308703 NA MeJP NA NA +MJ079032 3-Hydroxy-23-oxoeupha-7,24-dien-21,16-olid-28-oic acid, 3-Ac C32H44O7 540.308703 NA MeJP NA NA +MJ079033 Bisacutifolone A C32H44O7 540.308703 NA MeJP NA NA +MJ079034 Bufogenin; 3-(7-Carboxyheptanoyl) C32H44O7 540.308703 NA MeJP NA NA +MJ079035 Ciclesonide C32H44O7 540.308703 NA MeJP NA NA +MJ079036 Ingenol; 3-(2E,4Z-Decadienoyl), 20-Ac C32H44O7 540.308703 NA MeJP NA NA +MJ079037 Milbemycin ?3; 5-Ketone C32H44O7 540.308703 NA MeJP NA NA +MJ079038 Pregnane-3,12,14,17,20-pentol, 12-Cinnamoyl, 20-Ac C32H44O7 540.308703 NA MeJP NA NA +MJ079039 Pregnane-3,12,14,17,20-pentol, 20-Cinnamoyl, 12-Ac C32H44O7 540.308703 NA MeJP NA NA +MJ079040 Tricholidic acid C32H44O7 540.308703 NA MeJP NA NA +MJ079041 Vilasinin; 1-(2-Methylpropanoyl), 3-Ac C32H44O7 540.308703 NA MeJP NA NA +PJ004490 TKHR C22H40N10O6 540.3133 NA PeJP NA NA +MJ079042 Crocacin A; 5,6-Dihydro C31H44N2O6 540.319937 NA MeJP NA NA +MJ079043 Talatizamine; O18-De-Me, O14-Me, 18-O-(2-aminobenzoyl) C31H44N2O6 540.319937 NA MeJP NA NA +MJ079044 Panduratin B C36H44O4 540.323959 NA MeJP NA NA +7799 ACE inhibitor AVVRP 540.326 ACE inhibitor Inhouse_peptide NA peptide +PJ004491 SPPLK C25H44N6O7 540.3272 NA PeJP NA NA +MJ079045 16,17,19-Kauranetriol, 19-O-(4-O-Methyl-?-D-glucopyranoside), O17-Ac C29H48O9 540.329833 NA MeJP NA NA +MJ079046 16,17,19-Kauranetriol, 19-O-(6-O-Acetyl-4-O-methyl-?-D-glucopyranoside) C29H48O9 540.329833 NA MeJP NA NA +PJ004492 GPVLR C24H44N8O6 540.3384 NA PeJP NA NA +MJ079047 Antibiotic YM 32890A C33H48O6 540.345089 NA MeJP NA NA +MJ079048 Antibiotic YM 32890B C33H48O6 540.345089 NA MeJP NA NA +MJ079049 Bruceajavanin A; 20-De-Ac, O20-Me C33H48O6 540.345089 NA MeJP NA NA +MJ079050 Leptomycin B C33H48O6 540.345089 NA MeJP NA NA +MJ079051 Milbemycin E; 28-Deoxy, O-de-Me, 5-ketone C33H48O6 540.345089 NA MeJP NA NA +MJ079052 Erythreine; Complex with Erythreidine CGF96-P C34H44N4O2 540.346426 NA MeJP NA NA +PJ004493 PLRR C23H44N10O5 540.3496 NA PeJP NA NA +MJ079053 Aragusterol C; 3-Di-Me ketal C31H53ClO5 540.358152 NA MeJP NA NA +PJ004494 APLLK C26H48N6O6 540.3636 NA PeJP NA NA +MJ079054 7-Labdene-2,3,15-triol, 3-(2-Methylpropanoyl), 2-O-?-fucopyranoside C30H52O8 540.366218 NA MeJP NA NA +MJ079055 Longilene peroxide C30H52O8 540.366218 NA MeJP NA NA +MJ079056 3,22-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone, 22-(2-methylpropanoyl) C34H52O5 540.381474 NA MeJP NA NA +MJ079057 3,23-Dihydroxy-20(30)-lupen-29-al, Di-Ac C34H52O5 540.381474 NA MeJP NA NA +MJ079058 Lagunapyrone B C34H52O5 540.381474 NA MeJP NA NA +MJ079059 Buxidienine I; N20,N20-Di-Me, N3-angeloyl, O16-Ac C33H52N2O4 540.392708 NA MeJP NA NA +MetaCyc03816 dihydromethanophenazine [] C37H52N2O1 540.407964 NA metacyc NA NA +C11904 Dihydromethanophenazine C37H52N2O 540.408 NA KEGG NA NA +MJ079060 1,3,5-Tris(decanoyl)benzene C36H60O3 540.454245 NA MeJP NA NA +MJ079061 24-Hydroxy-3-ursanone; 24-(2-Hydroxy-3E-hexen-2-yl) ether C36H60O3 540.454245 NA MeJP NA NA +HMDB03063 (9-cis,9'-cis)-7,7',8,8'-tetrahydro-y,y-Carotene C40H60 540.46948 http://www.hmdb.ca/metabolites/HMDB03063 HMDB NA NA +HMDB03063 (9-cis,9'-cis)-7,7',8,8'-tetrahydro-y,y-Carotene C40H60 540.46948 HMDB03063 PFEM_hmdb_metabocards_official NA NA +HMDB03063 (9-cis,9'-cis)-7,7',8,8'-Tetrahydro-y,y-Carotene C40H60 540.469482 NA HMDB2010 NA NA +C05430 zeta-Carotene C40H60 540.4695 NA KEGG NA NA +C15857 9,9'-Di-cis-zeta-carotene C40H60 540.4695 NA KEGG NA NA +MJ079062 zeta-Carotene C40H60 540.469501 NA MeJP NA NA +MJ079063 1,1',2,2'-Tetrahydrolycopene C40H60 540.469501 NA MeJP NA NA +MJ079064 1,2,7,8-Tetrahydrolycopene C40H60 540.469501 NA MeJP NA NA +MJ079065 7',8',11',12'-Tetrahydro-?,?-carotene C40H60 540.469501 NA MeJP NA NA +MJ079066 7,7',8,8'-Tetrahydrolycopene C40H60 540.469501 NA MeJP NA NA +MJ079067 7,8,11,12-Tetrahydrolycopene C40H60 540.469501 NA MeJP NA NA +MJ079068 ?,?-Carotene; 7',8',11',12'-Tetrahydro C40H60 540.469501 NA MeJP NA NA +MetaCyc03817 ζ-carotene [] C40H60 540.469502 NA metacyc NA NA +MetaCyc03818 9,15,9'-cis-ζ-carotene [] C40H60 540.469502 NA metacyc NA NA +MetaCyc03819 9,9'-di-cis-ζ-carotene [] C40H60 540.469502 NA metacyc NA NA +HMDB07011 DG(14:0/16:0/0:0) C33H64O5 540.475403 NA HMDB2010 NA NA +HMDB07068 DG(15:0/15:0/0:0) C33H64O5 540.475403 NA HMDB2010 NA NA +HMDB07095 DG(16:0/14:0/0:0) C33H64O5 540.475403 NA HMDB2010 NA NA +HMDB03603 Cholesteryl decanoate C37H64O2 540.4906 http://www.hmdb.ca/metabolites/HMDB03603 HMDB NA NA +HMDB03603 Cholesteryl decanoate C37H64O2 540.4906 HMDB03603 PFEM_hmdb_metabocards_official NA NA +HMDB03603 CE(10:0) C37H64O2 540.490601 NA HMDB2010 NA NA +MJ079069 3-(11,15,19-Dotriacontatrienyl)-5-methyl-2(5H)-furanone C37H64O2 540.490631 NA MeJP NA NA +MJ079070 3-(13,17,21-Dotriacontatrienyl)-5-methyl-2(5H)-furanone C37H64O2 540.490631 NA MeJP NA NA +7326 celiac sprue gluten epitope from gamma-gliadin PQTQQPQQQ 540.7495 MH2+ Inhouse_peptide NA peptide +7369 celiac sprue gluten epitope found in hordein PQPYPQQPQ 540.7515 MH2+ Inhouse_peptide NA peptide +7413 celiac sprue gluten epitope found in secalin* PQPQQPYPQ 540.7515 MH2+ Inhouse_peptide NA peptide +7312 celiac sprue gluten epitope from gamma-gliadin PFPQPQQQL 540.77 MH2+ Inhouse_peptide NA peptide +7316 celiac sprue gluten epitope from gamma-gliadin PFPQQQQPL 540.77 MH2+ Inhouse_peptide NA peptide +7332 celiac sprue gluten epitope from gamma-gliadin QLPFPQQPQ 540.77 MH2+ Inhouse_peptide NA peptide +7333 celiac sprue gluten epitope from gamma-gliadin QQPQLPFPQ 540.77 MH2+ Inhouse_peptide NA peptide +7334 celiac sprue gluten epitope from gamma-gliadin QQPQQPFPL 540.77 MH2+ Inhouse_peptide NA peptide +7381 celiac sprue gluten epitope found in hordein QQPFPQQPI 540.77 MH2+ Inhouse_peptide NA peptide +7396 celiac sprue gluten epitope found in secalin IQPQQPFPQ 540.77 MH2+ Inhouse_peptide NA peptide +7398 celiac sprue gluten epitope found in secalin PFPQQPQQI 540.77 MH2+ Inhouse_peptide NA peptide +MJ079071 Clioxanide C15H10ClI2NO3 540.843857 NA MeJP NA NA +MJ079072 Discorhabdin C; 14-Bromo, 3-alcohol C18H14Br3N3O2 540.863614 NA MeJP NA NA +C05922 Formamidopyrimidine nucleoside triphosphate C10H18N5O15P3 541.0012 NA KEGG NA NA +HMDB06822 Formamidopyrimidine nucleoside triphosphate C10H18N5O15P3 541.00122 http://www.hmdb.ca/metabolites/HMDB06822 HMDB NA NA +HMDB06822 Formamidopyrimidine nucleoside triphosphate C10H18N5O15P3 541.00122 HMDB06822 PFEM_hmdb_metabocards_official NA NA +MJ079073 Formamidopyrimidine nucleoside triphosphate C10H18N5O15P3 541.001224 NA MeJP NA NA +MJ079074 N-[3-[[(3-Bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxy]methyl]-2,4-dichlorophenyl]-2-[[(ethylamino)carbonyl]amino]-N-methylacetamide C21H22BrCl2N5O3 541.028307 NA MeJP NA NA +C13050 Cyclic ADP-ribose C15H21N5O13P2 541.0611 NA KEGG NA NA +MJ079075 Cyclic ADP-ribose C15H21N5O13P2 541.061108 NA MeJP NA NA +C15635 GW 4064 C28H22Cl3NO4 541.0614 NA KEGG NA NA +EUR262 Nicotinamide adenine di nucleotide F2 F2 541.067275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR262 Nicotinamide adenine di nucleotide F2 NA 541.067275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR262 Nicotinamide adenine di nucleotide F2 F2 541.067275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR262 Nicotinamide adenine di nucleotide F2 NA 541.067275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR262 Nicotinamide adenine di nucleotide F2 F2 541.067275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR262 Nicotinamide adenine di nucleotide F2 NA 541.067275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR262 Nicotinamide adenine di nucleotide F2 F2 541.067275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR262 Nicotinamide adénine di nucléotide F2 F2 541.067275 standards wishlist analysés sur QTOF HMDB NA NA +EUR262 Nicotinamide adenine di nucleotide F2 F2 541.067275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR262 Nicotinamide adenine di nucleotide F2 NA 541.067275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR262 Nicotinamide adenine di nucleotide F2 F2 541.067275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR262 Nicotinamide adenine di nucleotide F2 F2 541.067275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ004495 SCCDD C17H27N5O11S2 541.1149 NA PeJP NA NA +PJ004496 GCCEM C18H31N5O8S3 541.1335 NA PeJP NA NA +PJ004497 CCMW C22H31N5O5S3 541.1488 NA PeJP NA NA +PJ004498 SSCDM C18H31N5O10S2 541.1513 NA PeJP NA NA +PJ004499 GPCCY C22H31N5O7S2 541.1665 NA PeJP NA NA +PJ004500 GTCMM C19H35N5O7S3 541.1699 NA PeJP NA NA +PJ004501 NDMY C22H31N5O9S 541.1843 NA PeJP NA NA +PJ004502 SSSMM C19H35N5O9S2 541.1876 NA PeJP NA NA +MJ079076 Aklavine; N,N-Di-de-Me C28H31NO10 541.194796 NA MeJP NA NA +MJ079077 Antibiotic D 788-3; 7-Me ether C28H31NO10 541.194796 NA MeJP NA NA +MJ079078 Feudomycin B C28H31NO10 541.194796 NA MeJP NA NA +MJ079079 Menogaril C28H31NO10 541.194796 NA MeJP NA NA +PJ004503 GPCEH C21H31N7O8S 541.1955 NA PeJP NA NA +PJ004504 ACYW C26H31N5O6S 541.1995 NA PeJP NA NA +PJ004505 GSSEY C22H31N5O11 541.202 NA PeJP NA NA +PJ004506 NMMF C23H35N5O6S2 541.2029 NA PeJP NA NA +C06450 Myxochlin C C27H31N3O9 541.206 NA KEGG NA NA +PJ004507 PCHW C25H31N7O5S 541.2108 NA PeJP NA NA +C13441 Dimethylaminoethyl reserpilinate dihydrochloride C26H35N3O5 541.211 NA KEGG NA NA +C13442 Transferred to D01951 C26H35N3O5 541.211 NA KEGG NA NA +C13443 Transferred to D01952 C26H35N3O5 541.211 NA KEGG NA NA +C13444 Transferred to D01953 C26H35N3O5 541.211 NA KEGG NA NA +C13445 Transferred to D01954 C26H35N3O5 541.211 NA KEGG NA NA +C13446 Transferred to D01955 C26H35N3O5 541.211 NA KEGG NA NA +C13447 Transferred to D01956 C26H35N3O5 541.211 NA KEGG NA NA +C13448 Transferred to D01957 C26H35N3O5 541.211 NA KEGG NA NA +C13449 Transferred to D01958 C26H35N3O5 541.211 NA KEGG NA NA +PJ004508 QEEH C21H31N7O10 541.2133 NA PeJP NA NA +PJ004509 SSYW C26H31N5O8 541.2173 NA PeJP NA NA +PJ004510 TQMY C23H35N5O8S 541.2206 NA PeJP NA NA +PJ004511 GATMY C23H35N5O8S 541.2207 NA PeJP NA NA +PJ004512 DDHR C20H31N9O9 541.2245 NA PeJP NA NA +MJ079080 Uvarindole B C36H31NO4 541.225308 NA MeJP NA NA +PJ004513 AEHW C25H31N7O7 541.2285 NA PeJP NA NA +PJ004514 TCRY C22H35N7O7S 541.2319 NA PeJP NA NA +MJ079081 Tuberactinomycin N; De(hydroxylysyl) C19H31N11O8 541.235707 NA MeJP NA NA +PJ004515 GTTTY C23H35N5O10 541.2384 NA PeJP NA NA +MJ079082 Destomycin A; 4',4''-Diepimer, N3-Me C21H39N3O13 541.248288 NA MeJP NA NA +MJ079083 Destomycin A; N3-Me C21H39N3O13 541.248288 NA MeJP NA NA +PJ004516 SPTTH C22H35N7O9 541.2496 NA PeJP NA NA +PJ004517 KEEH C22H35N7O9 541.2497 NA PeJP NA NA +PJ004518 VNFY C27H35N5O7 541.2537 NA PeJP NA NA +PJ004519 TKMY C24H39N5O7S 541.257 NA PeJP NA NA +PJ004520 TEHR C21H35N9O8 541.2609 NA PeJP NA NA +PJ004521 SLHW C26H35N7O6 541.2649 NA PeJP NA NA +MJ079084 Gadesine; 10?-Hydroxy, O14-Benzoyl C30H39NO8 541.267567 NA MeJP NA NA +PJ004522 AALMH C23H39N7O6S 541.2683 NA PeJP NA NA +PJ004523 SPPLE C24H39N5O9 541.2748 NA PeJP NA NA +MJ079085 APEC C25H35N9O5 541.276115 NA MeJP NA NA +PJ004524 VMHR C22H39N9O5S 541.2795 NA PeJP NA NA +PJ004525 ATTLH C23H39N7O8 541.286 NA PeJP NA NA +PJ004526 AAAAAAP C23H39N7O8 541.2861 NA PeJP NA NA +7701 ACE inhibitor from human plasma YLYEIARR 541.2875 MH2+ Inhouse_peptide NA peptide +PJ004527 TKFF C28H39N5O6 541.29 NA PeJP NA NA +MetaCyc03820 psychosine sulfate [] C24H47N1O10S1 541.292067 NA metacyc NA NA +C02744 Psychosine sulfate C24H47NO10S 541.2921 NA KEGG NA NA +C02745 Reduced flavodoxin C24H47NO10S 541.2921 NA KEGG NA NA +PJ004528 PPVVM C25H43N5O6S 541.2934 NA PeJP NA NA +PJ004529 AAPQR C22H39N9O7 541.2973 NA PeJP NA NA +MJ079086 Anopterine C31H43NO7 541.303952 NA MeJP NA NA +MJ079087 Corallopyronin B C31H43NO7 541.303952 NA MeJP NA NA +MJ079088 Dihydrogadesine; O1-Me, O14-benzoyl C31H43NO7 541.303952 NA MeJP NA NA +MJ079089 Neoline; O14-Benzoyl C31H43NO7 541.303952 NA MeJP NA NA +C08658 Anopterine C31H43NO7 541.304 NA KEGG NA NA +PJ004530 PNRR C21H39N11O6 541.3085 NA PeJP NA NA +PJ004531 APLLE C25H43N5O8 541.3112 NA PeJP NA NA +EUR660 Lyso PC 18:2 [M+Na]+ C26H50NO7P 541.314438 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR660 Lyso PC 18:2 [M+Na]+ C26H50NO7P 541.314438 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR660 Lyso PC 18:2 [M+Na]+ C26H50NO7P 541.314438 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR660 Lyso PC 18:2 [M+Na]+ C26H50NO7P 541.314438 masses lipides attendues Inhousejuil11 NA NA +HMDB10397 LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)) C28H48NO7P 541.316833 NA HMDB2010 NA NA +EUR764 Lyso PC 20:5 monoisotopic mass C28H48NO7P 541.316842 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR764 Lyso PC 20:5 monoisotopic mass C28H48NO7P 541.316842 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR764 Lyso PC 20:5 monoisotopic mass C28H48NO7P 541.316842 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR764 Lyso PC 20:5 monoisotopic mass C28H48NO7P 541.316842 masses lipides attendues Inhousejuil11 NA NA +EUR567 LysoPC(20:5) NA 541.316875 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR567 LysoPC(20:5) [M+H]+ 541.316875 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR567 LysoPC(20:5) NA 541.316875 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR567 LysoPC(20:5) [M+H]+ 541.316875 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR567 LysoPC(20:5) NA 541.316875 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR567 LysoPC(20:5) [M+H]+ 541.316875 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR567 LysoPC(20:5) NA 541.316875 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR567 LysoPC(20:5) NA 541.316875 identifiés dans sérum NuGO HMDB NA NA +EUR567 LysoPC(20:5) NA 541.316875 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR567 LysoPC(20:5) [M+H]+ 541.316875 identifies dans serum NuGO Inhousejuil11 NA NA +EUR567 LysoPC(20:5) NA 541.316875 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR567 LysoPC(20:5) NA 541.316875 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +PJ004532 GPLQK C24H43N7O7 541.3224 NA PeJP NA NA +PJ004533 AAPKR C23H43N9O6 541.3337 NA PeJP NA NA +EUR582 LysoPC(16:0) [M+FA-H]- 541.337325 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR582 LysoPC(16:0) [M+FA-H]- 541.337325 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR582 LysoPC(16:0) [M+FA-H]- 541.337325 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR582 LysoPC(16:0) [M+FA-H]- 541.337325 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR582 LysoPC(16:0) [M+FA-H]- 541.337325 identifiés dans sérum NuGO HMDB NA NA +EUR582 LysoPC(16:0) [M+FA-H]- 541.337325 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR582 LysoPC(16:0) [M+FA-H]- 541.337325 identifies dans serum NuGO Inhousejuil11 NA NA +EUR582 LysoPC(16:0) [M+FA-H]- 541.337325 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR582 LysoPC(16:0) [M+FA-H]- 541.337325 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR657 Lyso PC 16:0 [M+FA-H]- C24H50NO7P 541.337372 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR657 Lyso PC 16:0 [M+FA-H]- C24H50NO7P 541.337372 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR657 Lyso PC 16:0 [M+FA-H]- C24H50NO7P 541.337372 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR657 Lyso PC 16:0 [M+FA-H]- C24H50NO7P 541.337372 masses lipides attendues Inhousejuil11 NA NA +EUR703 Lyso PE (18:0) [M-H+acetate]- C23H48NO7P 541.337942 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR738 Lyso PC 15:0 [M-H+acetate]- C23H48NO7P 541.337942 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR838 Lyso PE 18:0 [M-H+acetate]- C23H48NO7P 541.337942 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR703 Lyso PE (18:0) [M-H+acetate]- C23H48NO7P 541.337942 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR738 Lyso PC 15:0 [M-H+acetate]- C23H48NO7P 541.337942 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR838 Lyso PE 18:0 [M-H+acetate]- C23H48NO7P 541.337942 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR703 Lyso PE (18:0) [M-H+acetate]- C23H48NO7P 541.337942 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR738 Lyso PC 15:0 [M-H+acetate]- C23H48NO7P 541.337942 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR838 Lyso PE 18:0 [M-H+acetate]- C23H48NO7P 541.337942 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR703 Lyso PE (18:0) [M-H+acetate]- C23H48NO7P 541.337942 masses lipides attendues Inhousejuil11 NA NA +EUR738 Lyso PC 15:0 [M-H+acetate]- C23H48NO7P 541.337942 masses lipides attendues Inhousejuil11 NA NA +EUR838 Lyso PE 18:0 [M-H+acetate]- C23H48NO7P 541.337942 masses lipides attendues Inhousejuil11 NA NA +MJ079090 Antibiotic 3127 C26H47N5O7 541.347548 NA MeJP NA NA +MJ079091 Poststatin C26H47N5O7 541.347548 NA MeJP NA NA +PJ004534 SPLLL C26H47N5O7 541.3476 NA PeJP NA NA +PJ004535 GPLKK C25H47N7O6 541.3588 NA PeJP NA NA +MJ079092 Lunacridine, 3',4'-Didehydro, O-hexadecanoyl C33H51NO5 541.376723 NA MeJP NA NA +PJ004536 ALLLL C27H51N5O6 541.384 NA PeJP NA NA +MJ079093 5-(2,3-Epoxy-3-methylbutyl)-3-[2-hydroxy-1-(hydroxymethyl)-2-methylpropyl]-1H-indole, 5'-Hexadecanoyl C34H55NO4 541.413109 NA MeJP NA NA +MJ079094 2,3',4,5'-Tetrabromo-2',6-dihydroxydiphenyl ether; Di-Me ether C14H10Br4O3 541.736344 NA MeJP NA NA +3324 NA HDMNKVLDL 541.76255 MH2+ Inhouse_peptide NA peptide +7346 celiac sprue gluten epitope found in glutenin QFPQQQIPV 541.778 MH2+ Inhouse_peptide NA peptide +MJ079095 Cacoxanthene; 2?,5,7,13-Tetrabromo C16H18Br4O 541.809115 NA MeJP NA NA +FL5FACNSS007 Quercetin 3,7,3'-tri-O-sulfate C15H10O16S3 541.91309 97763-24-1 knapsack NA NA +FL5FACNSS008 Quercetin 3,7,4'-tri-O-sulfate C15H10O16S3 541.91309 71368-05-3 knapsack NA NA +MJ079096 3,3',4',5,7-Pentahydroxyflavone; 3,3',7-Tri-O-sulfate C15H10O16S3 541.913096 NA MeJP NA NA +MJ079097 3,3',4',5,7-Pentahydroxyflavone; 3,4',7-Tri-O-sulfate C15H10O16S3 541.913096 NA MeJP NA NA +MetaCyc03821 quercetin 3,3',7-trissulfate [] C15H10O16S3 541.913096 NA metacyc NA NA +C03897 Quercetin 3,3',7-trissulfate C15H10O16S3 541.9131 NA KEGG NA NA +C03898 Quercetin 3,4',7-trissulfate C15H10O16S3 541.9131 NA KEGG NA NA +C03899 S-(2-Hydroxyacyl)glutathione C12H18N3O8SR 541.9131 NA KEGG NA NA +MJ079098 2-Methyl-1,4-naphthalenediol; Bis(x-sulfobenzoyl) C25H18O10S2 542.034138 NA MeJP NA NA +C06882 Cefonicid C18H18N6O8S3 542.0348 NA KEGG NA NA +MJ079099 Cefonicid C18H18N6O8S3 542.034823 NA MeJP NA NA +MJ079100 3',4',5,7-Tetrahydroxyflavone; 7-O-(O-Sulfo-?-D-glucuronopyranoside) C21H18O15S 542.03664 NA MeJP NA NA +MJ079101 3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Glucuronopyranoside, 7-O-sulfate C21H18O15S 542.03664 NA MeJP NA NA +FL3FFAGSS002 8-Hydroxyapigenin 8-(2''-sulfatoglucuronide) C21H18O15S 542.03664 - knapsack NA NA +FL5FAAGSS001 Kaempferol 3-glucuronide-7-sulfate C21H18O15S 542.03664 56857-61-5 knapsack NA NA +FL3FFAGSS001 Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucoside) C22H22O14S 542.07302 136516-95-5 knapsack NA NA +MJ079102 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-(Sulfato-?-D-glucopyranoside) C22H22O14S 542.073026 NA MeJP NA NA +MJ079103 5,7,8-Trihydroxy-4'-methoxyflavone; 8-O-(2-O-Sulfo-?-D-glucopyranoside) C22H22O14S 542.073026 NA MeJP NA NA +MJ079104 Mangiferin; 2'-O-(4-Hydroxybenzoyl) C26H22O13 542.10604 NA MeJP NA NA +MJ079105 3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone; 2''-Epimer, 3''-deoxy C30H22O10 542.121296 NA MeJP NA NA +MJ079106 3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone; 3''-Deoxy C30H22O10 542.121296 NA MeJP NA NA +MJ079107 3',4',4''',5,5'',7''-Hexahydroxy-8,3'''-biflavanone C30H22O10 542.121296 NA MeJP NA NA +MJ079108 4',4''',5,5'',7,7''-Hexahydroxy-3',3'''-biflavanone C30H22O10 542.121296 NA MeJP NA NA +MJ079109 Amentoflavone; 2,2'',3,3''-Tetrahydro C30H22O10 542.121296 NA MeJP NA NA +MJ079110 Austrovenetin; 10'-Oxo C30H22O10 542.121296 NA MeJP NA NA +MJ079111 Chamaechromone C30H22O10 542.121296 NA MeJP NA NA +MJ079112 Chamaejasmin C30H22O10 542.121296 NA MeJP NA NA +MJ079113 Daphnodorin B C30H22O10 542.121296 NA MeJP NA NA +MJ079114 Daphnodorin G; 3-Deoxy, 2,2',3'-triepimer C30H22O10 542.121296 NA MeJP NA NA +MJ079115 Daphnodorin G; 3-Deoxy, 2-epimer C30H22O10 542.121296 NA MeJP NA NA +MJ079116 Diphysin C30H22O10 542.121296 NA MeJP NA NA +MJ079117 Genkwanol A C30H22O10 542.121296 NA MeJP NA NA +MJ079118 Genkwanol B; 3-Deoxy C30H22O10 542.121296 NA MeJP NA NA +MJ079119 Hinokiflavone; 2,2'',3,3''-Tetrahydro C30H22O10 542.121296 NA MeJP NA NA +MJ079120 Larixinol C30H22O10 542.121296 NA MeJP NA NA +MJ079121 Mesuaferrone A C30H22O10 542.121296 NA MeJP NA NA +MJ079122 Rhodoaphin be C30H22O10 542.121296 NA MeJP NA NA +MJ079123 Rhusflavanone C30H22O10 542.121296 NA MeJP NA NA +MJ079124 Robustaflavone; 2,2'',3,3''-Tetrahydro C30H22O10 542.121296 NA MeJP NA NA +MJ079125 Rubellin A; 4-Hydroxy C30H22O10 542.121296 NA MeJP NA NA +MJ079126 Rubellin C; 4-Hydroxy C30H22O10 542.121296 NA MeJP NA NA +MJ079127 Rugulosin C30H22O10 542.121296 NA MeJP NA NA +MJ079128 Semecarpuflavanone C30H22O10 542.121296 NA MeJP NA NA +MJ079129 Succedaneaflavanone C30H22O10 542.121296 NA MeJP NA NA +MJ079130 Wikstrol A C30H22O10 542.121296 NA MeJP NA NA +MJ079131 Yuccaol A; 3-Epimer, 3''',5'''-dihydroxy, 4'''-Me ether C30H22O10 542.121296 NA MeJP NA NA +C09758 Isochamaejasmin C30H22O10 542.1213 NA KEGG NA NA +C16764 Rugulosin C30H22O10 542.1213 NA KEGG NA NA +PJ004537 SCCCQ C17H30N6O8S3 542.1287 NA PeJP NA NA +PJ004538 GGTCCC C17H30N6O8S3 542.1288 NA PeJP NA NA +MJ079132 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 4'-O-[3,4,5-Trihydroxybenzoyl-(?2)-?-D-glucopyranoside] C27H26O12 542.142426 NA MeJP NA NA +MJ079133 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 4'-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C27H26O12 542.142426 NA MeJP NA NA +MJ079134 2',4,4',5,5'-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4',5'-Methylene, 4,5-di-Me ether, 2'-O-?-D-glucopyranoside C27H26O12 542.142426 NA MeJP NA NA +MJ079135 Diphyllin; O-?-D-Glucopyranoside C27H26O12 542.142426 NA MeJP NA NA +PJ004539 GSSSCC C17H30N6O10S2 542.1465 NA PeJP NA NA +MJ079136 Ventilein A; 8'-Methoxy C31H26O9 542.157682 NA MeJP NA NA +PJ004540 GCCNF C21H30N6O7S2 542.1618 NA PeJP NA NA +MJ079137 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C24H30O14 542.163555 NA MeJP NA NA +MJ079138 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-L-Rhamnopyranosyl-(1?6)-2-O-acetyl-?-D-glucopyranoside] C24H30O14 542.163555 NA MeJP NA NA +MJ079139 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], Ac C24H30O14 542.163555 NA MeJP NA NA +MJ079140 Secologanol; 7-O-(3,4,5-Trihydroxybenzoyl) C24H30O14 542.163555 NA MeJP NA NA +MJ079141 Swertiamarin; 2',3',4',6'-Tetra-Ac C24H30O14 542.163555 NA MeJP NA NA +PJ004541 SCCCK C18H34N6O7S3 542.1651 NA PeJP NA NA +PJ004542 DDMY C22H30N4O10S 542.1683 NA PeJP NA NA +PJ004543 MMMM C20H38N4O5S4 542.1725 NA PeJP NA NA +FL5FAAGI0016 Ikarisoside D C28H30O11 542.17881 113558-12-6 knapsack NA NA +MJ079142 3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-(4-Acetyl-?-L-rhamnopyranoside) C28H30O11 542.178811 NA MeJP NA NA +MJ079143 Alvaradoin C C28H30O11 542.178811 NA MeJP NA NA +MJ079144 Bruceanol A C28H30O11 542.178811 NA MeJP NA NA +MJ079145 Bruceolide; 15-Benzoyl C28H30O11 542.178811 NA MeJP NA NA +PJ004544 GSCNY C21H30N6O9S 542.1795 NA PeJP NA NA +PJ004545 DMMF C23H34N4O7S2 542.1869 NA PeJP NA NA +MJ079146 Tetrahydrodeoxycordifoline lactam C27H30N2O10 542.190045 NA MeJP NA NA +MJ079147 11(19)-Havannachlorohydrin C26H35ClO10 542.191875 NA MeJP NA NA +MJ079148 6-Chloro-11,12-epoxy-2,8,9,14-tetrahydroxy-5(16)-briaren-18,7-olide; 2,9,14-Tri-Ac C26H35ClO10 542.191875 NA MeJP NA NA +MJ079149 6-Chloro-2,8,9,11,12-pentahydroxy-5(16),13-briaradien-18,7-olide, 2,9,12-Tri-Ac C26H35ClO10 542.191875 NA MeJP NA NA +MJ079150 6-Chloro-2,8,9,11,14-pentahydroxy-3,5(16)-briaradien-18,7-olide; 2,9,14-Tri-Ac C26H35ClO10 542.191875 NA MeJP NA NA +MJ079151 6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 3?,4?:13?,14?-Diepoxide, 12-butanoyl, 9-Ac C26H35ClO10 542.191875 NA MeJP NA NA +MJ079152 7(18)-Havannachlorohydrin C26H35ClO10 542.191875 NA MeJP NA NA +MJ079153 4-(6',7-Dihydroxy-4'-methoxyisoflavan-3'-yl)-2',7-dihydroxy-4'-methoxyisoflavan C32H30O8 542.194067 NA MeJP NA NA +PJ004546 EEEH C21H30N6O11 542.1973 NA PeJP NA NA +C11646 Deoxyloganin tetraacetate C25H34O13 542.1999 NA KEGG NA NA +C11650 8-Epideoxyloganin tetraacetate C25H34O13 542.1999 NA KEGG NA NA +MJ079154 Hovetrichoside F C25H34O13 542.199941 NA MeJP NA NA +PJ004547 DDFF C26H30N4O9 542.2013 NA PeJP NA NA +PJ004548 TEMY C23H34N4O9S 542.2047 NA PeJP NA NA +PJ004549 CHHF C24H30N8O5S 542.206 NA PeJP NA NA +PJ004550 GSNEH C20H30N8O10 542.2085 NA PeJP NA NA +MJ079155 1,3,5,15-Tetrahydroxy-16,19-dioxobufa-14,20,22-trienolide, 15-Me ether, 1,3-di-Ac C29H34O10 542.215197 NA MeJP NA NA +MJ079156 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-[4-Hydroxyphenylacetyl-(?4)-?-D-glucopyranoside] C29H34O10 542.215197 NA MeJP NA NA +MJ079157 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-[4-Hydroxyphenylacetyl-(?6)-?-D-glucopyranoside] C29H34O10 542.215197 NA MeJP NA NA +MJ079158 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9,10-Diketone, 2-benzoyl, 4-Ac C29H34O10 542.215197 NA MeJP NA NA +MJ079159 7?,8?:2',3'-Diepoxyroridin H C29H34O10 542.215197 NA MeJP NA NA +MJ079160 Daphnetoxin; 1,2-Dihydro, 12?-acetoxy C29H34O10 542.215197 NA MeJP NA NA +MJ079161 Ecuadorin C29H34O10 542.215197 NA MeJP NA NA +MJ079162 Elaeodendroside N; 12-Ketone C29H34O10 542.215197 NA MeJP NA NA +MJ079163 Satratoxin G; 13'-Ketone C29H34O10 542.215197 NA MeJP NA NA +MJ079164 Spathelin C29H34O10 542.215197 NA MeJP NA NA +MJ079165 Territrem B' C29H34O10 542.215197 NA MeJP NA NA +MJ079166 Trijugin B; Ac C29H34O10 542.215197 NA MeJP NA NA +MJ079167 Verrucarin L; 8-Ac C29H34O10 542.215197 NA MeJP NA NA +MJ079168 Vertisporin; 7',8'-Didehydro C29H34O10 542.215197 NA MeJP NA NA +MJ079169 Wallifoliol C29H34O10 542.215197 NA MeJP NA NA +PJ004551 VMMY C24H38N4O6S2 542.2233 NA PeJP NA NA +PJ004552 SNHW C24H30N8O7 542.2238 NA PeJP NA NA +3784 NA YYPT 542.225 ACE inhibitor Inhouse_peptide NA peptide +PJ004553 QQMH C21H34N8O7S 542.2271 NA PeJP NA NA +PJ004554 GGAAMH C21H34N8O7S 542.2272 NA PeJP NA NA +MJ079170 Haterumalide NE; 9R-Hydroxy, 3-Ac, butyl ester C27H39ClO9 542.22826 NA MeJP NA NA +PJ004555 SPPNE C22H34N6O10 542.2337 NA PeJP NA NA +MJ079171 Casteloside C C26H38O12 542.236326 NA MeJP NA NA +MJ079172 Chaparrin; 2-O-?-D-Glucopyranoside C26H38O12 542.236326 NA MeJP NA NA +MJ079173 Cinncassiol C1; 19-O-?-D-Glucopyranoside C26H38O12 542.236326 NA MeJP NA NA +MJ079174 Foliamenthin; 2',3'-Dihydro (R-) C26H38O12 542.236326 NA MeJP NA NA +MJ079175 Isojasminin C26H38O12 542.236326 NA MeJP NA NA +MJ079176 Jasminin C26H38O12 542.236326 NA MeJP NA NA +MJ079177 Mussaenosidic acid; 6'-O-(6-Hydroxy-2,6-dimethyl-2,7-octadienoyl) C26H38O12 542.236326 NA MeJP NA NA +MJ079178 Nudifloside B; 4-Deacyl C26H38O12 542.236326 NA MeJP NA NA +MJ079179 Casoxin 6; De(Serylarginyl) C27H34N4O8 542.237664 NA MeJP NA NA +PJ004556 PTYY C27H34N4O8 542.2377 NA PeJP NA NA +PJ004557 CQHR C20H34N10O6S 542.2384 NA PeJP NA NA +PJ004558 GSDKH C21H34N8O9 542.2449 NA PeJP NA NA +PJ004559 GSPPW C26H34N6O7 542.2489 NA PeJP NA NA +MJ079180 1,2,8,9-Tetrahydroxydihydro-?-agarofuran, 9-Cinnamoyl, 1,2,8-tri-Ac C30H38O9 542.251582 NA MeJP NA NA +MJ079181 15,16-Epoxy-2,3-dihydroxy-13(16),14-clerodadiene-18,19:20,12-diolide, 2-Angeloyl, 3-(2-methylbutanoyl) C30H38O9 542.251582 NA MeJP NA NA +MJ079182 Citreohybridone A C30H38O9 542.251582 NA MeJP NA NA +MJ079183 Detigloylswietenine; 3-Propanoyl C30H38O9 542.251582 NA MeJP NA NA +MJ079184 Elaeodendroside B C30H38O9 542.251582 NA MeJP NA NA +MJ079185 Isocitreohybridone A C30H38O9 542.251582 NA MeJP NA NA +MJ079186 Khivorin; 7-Deacetoxy, 7-oxo C30H38O9 542.251582 NA MeJP NA NA +MJ079187 Kihadalactone A; 16-Oxo, 14?,15?-epoxide C30H38O9 542.251582 NA MeJP NA NA +MJ079188 Microphyllinic acid; 2'-Me ether C30H38O9 542.251582 NA MeJP NA NA +MJ079189 Nimbocinolide; 23-Ketone(lactone), 21-alcohol(lactol), 11-O-deacyl, 11-Ac C30H38O9 542.251582 NA MeJP NA NA +MJ079190 Peddiea factor A1 C30H38O9 542.251582 NA MeJP NA NA +MJ079191 Physagulin C C30H38O9 542.251582 NA MeJP NA NA +MJ079192 Sapxanthone C30H38O9 542.251582 NA MeJP NA NA +PJ004560 APPQM C23H38N6O7S 542.2523 NA PeJP NA NA +PJ004561 GSSHR C20H34N10O8 542.2561 NA PeJP NA NA +PJ004562 VMFF C28H38N4O5S 542.2563 NA PeJP NA NA +8163 antimicrobial peptide derived from aS1-casein (10-14) GLPQE 542.257 antibacterial Inhouse_peptide NA peptide +7356 celiac sprue gluten epitope found in hordein PFPQQPFPQ 542.259 MH2+ Inhouse_peptide NA peptide +MJ079193 2-[1-(1,2-Dimethylpropyl)-10-methylundecyl]-3,4-dihydro-5-iodo-2,8-dimethyl-2H-1-benzopyran-6-ol C28H47IO2 542.262074 NA MeJP NA NA +PJ004563 APPCR C22H38N8O6S 542.2635 NA PeJP NA NA +PJ004564 PPTTQ C23H38N6O9 542.27 NA PeJP NA NA +PJ004565 GPLQE C23H38N6O9 542.2701 NA PeJP NA NA +PJ004566 LHHH C24H34N10O5 542.2714 NA PeJP NA NA +HMDB10320 Cortolone-3-glucuronide C27H42O11 542.272705 NA HMDB2010 NA NA +MJ079194 Javanicin L; 16-O-?-D-Glucopyranoside C27H42O11 542.272712 NA MeJP NA NA +PJ004567 VVYY C28H38N4O7 542.2741 NA PeJP NA NA +PJ004568 CKHR C21H38N10O5S 542.2748 NA PeJP NA NA +MJ079195 Chaetoglobosin P C33H38N2O5 542.278072 NA MeJP NA NA +PJ004569 AAPER C22H38N8O8 542.2813 NA PeJP NA NA +MJ079196 Thiobinupharidine; 6R,6'S-Dihydroxy, S-oxide (?-) C30H42N2O5S 542.281443 NA MeJP NA NA +PJ004570 PLQW C27H38N6O6 542.2853 NA PeJP NA NA +MJ079197 5,11-Jatrophadiene-3,7,9,14,15-pentol, 3-Benzoyl, 7,14-di-Ac C31H42O8 542.287968 NA MeJP NA NA +MJ079198 5,11-Jatrophadiene-3,7,9,14,15-pentol, 3-Benzoyl, 9,14-di-Ac C31H42O8 542.287968 NA MeJP NA NA +MJ079199 Ardisiaquinone B; Me ether (R1 = R2 = CH3) C31H42O8 542.287968 NA MeJP NA NA +MJ079200 Calbistrin C C31H42O8 542.287968 NA MeJP NA NA +MJ079201 Fevicordin F; 22-Ketone, O25-Ac C31H42O8 542.287968 NA MeJP NA NA +MJ079202 Oscillatoxin D C31H42O8 542.287968 NA MeJP NA NA +MJ079203 Superolivetoric acid; 2'-Me ether C31H42O8 542.287968 NA MeJP NA NA +MJ079204 Superolivetoric acid; 4-Me ether C31H42O8 542.287968 NA MeJP NA NA +PJ004571 APPKM C24H42N6O6S 542.2887 NA PeJP NA NA +PJ004572 PDRR C21H38N10O7 542.2925 NA PeJP NA NA +MJ079205 Puberanidine C30H42N2O7 542.299201 NA MeJP NA NA +PJ004573 KKMH C23H42N8O5S 542.2999 NA PeJP NA NA +MJ079206 Sampsonione E C35H42O5 542.303224 NA MeJP NA NA +PJ004574 GPLKE C24H42N6O8 542.3064 NA PeJP NA NA +MJ079207 1,3-Dibutyl-5-[5-(1,3-dibutylhexahydro-2,4,6-trioxo-5-pyrimidinyl)-2,4-pentadienylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione C29H42N4O6 542.310435 NA MeJP NA NA +MJ079208 Belladonnine C34H42N2O4 542.314457 NA MeJP NA NA +C10845 Belladonnine C34H42N2O4 542.3145 NA KEGG NA NA +PJ004575 GPTLR C23H42N8O7 542.3177 NA PeJP NA NA +PJ004576 PLKW C28H42N6O5 542.3217 NA PeJP NA NA +MJ079209 16,20,25-Trihydroxycucurbita-5,23-diene-3,11,22-trione, 25-Ac C32H46O7 542.324353 NA MeJP NA NA +MJ079210 3,14-Dihydroxybufa-20,22-dienolide, 3-(Hydrogen suberoyl) C32H46O7 542.324353 NA MeJP NA NA +MJ079211 Antibiotic TAN 1515 C32H46O7 542.324353 NA MeJP NA NA +MJ079212 Kazusamycin B C32H46O7 542.324353 NA MeJP NA NA +MJ079213 Milbemycin ?1; 5-Me ether C32H46O7 542.324353 NA MeJP NA NA +MJ079214 Milbemycin ?3 C32H46O7 542.324353 NA MeJP NA NA +MJ079215 Petuniasterone C; 22-(Methylmalonyl) C32H46O7 542.324353 NA MeJP NA NA +MJ079216 Vannusal A; 26-O-De-Ac C32H46O7 542.324353 NA MeJP NA NA +PJ004577 SPVLK C25H46N6O7 542.3428 NA PeJP NA NA +PJ004578 AALLR C24H46N8O6 542.3541 NA PeJP NA NA +MJ079217 12-Hydroxy-20,24-dimethyl-24-oxo-16-scalaren-25-al, 12-(3-Acetoxybutanoyl) C33H50O6 542.360739 NA MeJP NA NA +MJ079218 22,23-Dihydroxy-3-oxo-12-ursen-30-oic acid; 22?-form, 22-Ac, Me ester C33H50O6 542.360739 NA MeJP NA NA +MJ079219 3,27-Dihydroxy-20(29)-lupen-28-oic acid; 3?-form, 27-Carboxylic acid, 3-Ac, 28-Me ester C33H50O6 542.360739 NA MeJP NA NA +MJ079220 3,6,16-Trihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid, 3-Ac C33H50O6 542.360739 NA MeJP NA NA +MJ079221 3-Hydroxy-12-oleanene-28,30-dioic acid, 3-Ac, 30-Me ester C33H50O6 542.360739 NA MeJP NA NA +MJ079222 3-Hydroxy-12-ursen-28-oic acid, Malonyl ester C33H50O6 542.360739 NA MeJP NA NA +MJ079223 Milbemycin ?2; 28-Deoxy C33H50O6 542.360739 NA MeJP NA NA +PJ004579 VLRR C23H46N10O5 542.3653 NA PeJP NA NA +PJ004580 GLLLK C26H50N6O6 542.3792 NA PeJP NA NA +MJ079224 2,3,22-Stictanetriol, 22-Ketone, 2,3-di-Ac C34H54O5 542.397124 NA MeJP NA NA +MJ079225 2,3-Dihydroxy-12-oleanen-28-oic acid, 2-Me ether, 3-Ac, Me ester C34H54O5 542.397124 NA MeJP NA NA +MJ079226 3,11-Dihydroxy-12-ursen-28-oic acid, 11-Me ether, 3-Ac, Me ester C34H54O5 542.397124 NA MeJP NA NA +MJ079227 2-Octaprenyl-6-hydroxyphenol C38H54O2 542.412381 NA MeJP NA NA +MJ079228 29-(2,3,4,5-Tetrahydroxypentyl)-6,11-hopadiene C35H58O4 542.43351 NA MeJP NA NA +MJ079229 29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-Carboxylic acid, (35?32)-lactone C35H58O4 542.43351 NA MeJP NA NA +MJ079230 4,11-Eudesmanediol; 4?-form, 4-Ether with 15-position of 8(17),13E-labdadien-19-oic acid C35H58O4 542.43351 NA MeJP NA NA +MJ079231 5,7-Dihydroxy-6-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; 5,7-Di-Me, 1'-(2-phytenyl) ether C35H58O4 542.43351 NA MeJP NA NA +MJ079232 3-(4-Hydroxyphenyl)-2-propenoic acid, Heptacosyl ester C36H62O3 542.469895 NA MeJP NA NA +MJ079233 7,18-Trachylobanediol, 18-Hexadecanoyl C36H62O3 542.469895 NA MeJP NA NA +MJ079234 1,1',2,2',7,8-Hexahydrolycopene C40H62 542.485151 NA MeJP NA NA +MJ079235 1,2,7,7',8,8'-Hexahydrolycopene C40H62 542.485151 NA MeJP NA NA +MJ079236 1,2,7,8,11,12-Hexahydrolycopene C40H62 542.485151 NA MeJP NA NA +MJ079237 7,7',8,8',11,12-Hexahydrolycopene C40H62 542.485151 NA MeJP NA NA +MJ079238 Phytofluene C40H62 542.485152 NA MeJP NA NA +MetaCyc03822 phytofluene [2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene;7,8,11,12,7',8'-hexahydro-ψ,ψ-carotene;] C40H62 542.485152 NA metacyc NA NA +HMDB02272 7,7',8,8',11,11',12,12'-Hexahydro-y,y-Carotene C40H62 542.485168 NA HMDB2010 NA NA +HMDB02871 Phytofluene C40H62 542.485168 NA HMDB2010 NA NA +HMDB02936 cis-7,7',8,8',11,12-Hexahydro-Carotene C40H62 542.485168 NA HMDB2010 NA NA +HMDB02871 Phytofluene C40H62 542.48517 http://www.hmdb.ca/metabolites/HMDB02871 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02936 cis-7,7',8,8',11,12-hexahydro-Carotene C40H62 542.48517 http://www.hmdb.ca/metabolites/HMDB02936 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02272 7,7',8,8',11,11',12,12'-hexahydro-y,y-Carotene C40H62 542.48517 http://www.hmdb.ca/metabolites/HMDB02272 HMDB NA NA +HMDB02871 Phytofluene C40H62 542.48517 http://www.hmdb.ca/metabolites/HMDB02871 HMDB NA NA +HMDB02936 cis-7,7',8,8',11,12-hexahydro-Carotene C40H62 542.48517 http://www.hmdb.ca/metabolites/HMDB02936 HMDB NA NA +HMDB02871 Phytofluene C40H62 542.48517 http://www.hmdb.ca/metabolites/HMDB02871 PFEM_hmdb_metabocards_blood NA blood +HMDB02936 cis-7,7',8,8',11,12-hexahydro-Carotene C40H62 542.48517 http://www.hmdb.ca/metabolites/HMDB02936 PFEM_hmdb_metabocards_blood NA blood +HMDB02272 7,7',8,8',11,11',12,12'-hexahydro-y,y-Carotene C40H62 542.48517 HMDB02272 PFEM_hmdb_metabocards_official NA NA +HMDB02871 Phytofluene C40H62 542.48517 HMDB02871 PFEM_hmdb_metabocards_official NA NA +HMDB02936 cis-7,7',8,8',11,12-hexahydro-Carotene C40H62 542.48517 HMDB02936 PFEM_hmdb_metabocards_official NA NA +C05414 Phytofluene C40H62 542.4852 NA KEGG NA NA +MJ079239 3-(11,15,19-Dotriacontatrienyl)-5-methyl-2(5H)-furanone, 13,14-Dihydro C37H66O2 542.506281 NA MeJP NA NA +MJ079240 3-(11,15,19-Dotriacontatrienyl)-5-methyl-2(5H)-furanone, 21,22-Dihydro C37H66O2 542.506281 NA MeJP NA NA +MJ079241 9,16,23-Octatriacontatrien-3-one C38H70O 542.542666 NA MeJP NA NA +7384 celiac sprue gluten epitope found in hordein QQPFPQQTI 542.7675 MH2+ Inhouse_peptide NA peptide +7411 celiac sprue gluten epitope found in secalin QQTQQPFPL 542.7675 MH2+ Inhouse_peptide NA peptide +MJ079242 Dysidenin C17H23Cl6N3O2S 542.964213 NA MeJP NA NA +MetaCyc03823 NAD stem group [] C15H23N5O13P2 543.076759 NA metacyc NA NA +MJ079243 Cefempidone C22H21N7O6S2 543.099472 NA MeJP NA NA +C12319 dTDP-3-amino-2,3,6-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose C17H27N3O13P2 543.1019 NA KEGG NA NA +C12320 dTDP-L-4-oxovancosamine C17H27N3O13P2 543.1019 NA KEGG NA NA +MJ079244 CMP-3-deoxy-D-manno-octulosonate C17H26N3O15P 543.110153 NA MeJP NA NA +MetaCyc03824 CMP-3-deoxy-D-manno-octulosonate [CMP-2-dehydro-3-deoxy-D-octonate;CMP-KDO;] C17H26N3O15P1 543.110154 NA metacyc NA NA +C04121 CMP-3-deoxy-D-manno-octulosonate C17H26N3O15P 543.1102 NA KEGG NA NA +PJ004581 SCCCE C17H29N5O9S3 543.1128 NA PeJP NA NA +PJ004582 GCCMM C18H33N5O6S4 543.1314 NA PeJP NA NA +MJ079245 Antibiotic A 2121; Antibiotic A 2121-1, 4A,12a-Bis-O-deglycosyl C26H25NO12 543.137675 NA MeJP NA NA +C18034 dTDP-D-forosamine C18H31N3O12P2 543.1383 NA KEGG NA NA +PJ004583 GCCDF C21H29N5O8S2 543.1458 NA PeJP NA NA +PJ004584 STCCM C18H33N5O8S3 543.1491 NA PeJP NA NA +MJ079246 Lamellarin H; 7-Hydroxy, 7,8,9,12,21-penta-Me ether C30H25NO9 543.152931 NA MeJP NA NA +MJ079247 Lamellarin H; 7-Methoxy, 8,9,13,21-tetra-Me ether C30H25NO9 543.152931 NA MeJP NA NA +PJ004585 GSCDY C21H29N5O10S 543.1635 NA PeJP NA NA +MJ079248 Adriamycin C27H29NO11 543.17406 NA MeJP NA NA +MJ079249 Antibiotic D 788-10; Me ester C27H29NO11 543.17406 NA MeJP NA NA +MJ079250 Carbolbicin C27H29NO11 543.17406 NA MeJP NA NA +MJ079251 Carminomycin I; 13-Alcohol, N-formyl C27H29NO11 543.17406 NA MeJP NA NA +C01661 Adriamycin C27H29NO11 543.1741 NA KEGG NA NA +C11230 Epirubicin C27H29NO11 543.1741 NA KEGG NA NA +C12427 10-Carboxy-13-deoxycarminomycin C27H29NO11 543.1741 NA KEGG NA NA +C11618 Puromycin dihydrochloride C22H29N7O5 543.1764 NA KEGG NA NA +PJ004586 CQMY C22H33N5O7S2 543.1822 NA PeJP NA NA +PJ004587 GCNNH C19H29N9O8S 543.186 NA PeJP NA NA +MJ079252 Acrimarine A C31H29NO8 543.189316 NA MeJP NA NA +MJ079253 Acrimarine C C31H29NO8 543.189316 NA MeJP NA NA +PJ004588 GSDEH C20H29N7O11 543.1925 NA PeJP NA NA +PJ004589 CCRY C21H33N7O6S2 543.1934 NA PeJP NA NA +MJ079254 Phosphoramidon C23H34N3O10P 543.19818 NA MeJP NA NA +MJ079255 Talopeptin C23H34N3O10P 543.19818 NA MeJP NA NA +C00563 Phosphoramidon C23H34N3O10P 543.1982 NA KEGG NA NA +PJ004590 GSSMY C22H33N5O9S 543.1999 NA PeJP NA NA +PJ004591 SDHW C24H29N7O8 543.2078 NA PeJP NA NA +MJ079256 Alldimycin B; 10-O-Deglycosyl C28H33NO10 543.210446 NA MeJP NA NA +MJ079257 Alldimycin B; 7-O-Deglycosyl C28H33NO10 543.210446 NA MeJP NA NA +MJ079258 Caeseorhodomycin C28H33NO10 543.210446 NA MeJP NA NA +MJ079259 Obelmycin G C28H33NO10 543.210446 NA MeJP NA NA +MJ079260 Rhodomycin B C28H33NO10 543.210446 NA MeJP NA NA +PJ004592 QEMH C21H33N7O8S 543.2112 NA PeJP NA NA +PJ004593 CQFF C26H33N5O6S 543.2152 NA PeJP NA NA +MJ079261 ?-L-Fucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-galactose; 2''-Me, N-Ac C21H37NO15 543.216319 NA MeJP NA NA +MetaCyc03825 trans-zeatin-O-glucoside-7-N-glucoside [] C22H33N5O11 543.217657 NA metacyc NA NA +PJ004594 SSSTY C22H33N5O11 543.2177 NA PeJP NA NA +PJ004595 CKMY C23H37N5O6S2 543.2185 NA PeJP NA NA +MJ079262 Morphocycline C27H33N3O9 543.221679 NA MeJP NA NA +PJ004596 CEHR C20H33N9O7S 543.2224 NA PeJP NA NA +MJ079263 Desalicetin; 2'-(4-Amino-2-hydroxybenzoyl) C24H37N3O9S 543.22505 NA MeJP NA NA +PJ004597 AMHW C25H33N7O5S 543.2264 NA PeJP NA NA +MetaCyc03826 partly acetylated chitosan [] C20H37N3O14 543.227553 NA metacyc NA NA +PJ004598 GTTEH C21H33N7O10 543.2289 NA PeJP NA NA +PJ004599 NHHH C22H29N11O6 543.2303 NA PeJP NA NA +7715 NA NWGQFHGGW~ 543.23195 MH2+ Inhouse_peptide NA peptide +PJ004600 AQYY C26H33N5O8 543.2329 NA PeJP NA NA +PJ004601 APPEM C23H37N5O8S 543.2363 NA PeJP NA NA +PJ004602 TTHW C25H33N7O7 543.2442 NA PeJP NA NA +PJ004603 KEMH C22H37N7O7S 543.2475 NA PeJP NA NA +PJ004604 CKFF C27H37N5O5S 543.2516 NA PeJP NA NA +PJ004605 GPLEE C23H37N5O10 543.2541 NA PeJP NA NA +PJ004606 GPPHH C24H33N9O6 543.2554 NA PeJP NA NA +PJ004607 TMHR C21H37N9O6S 543.2588 NA PeJP NA NA +MJ079264 Antibiotic FR 901463 C27H42ClNO8 543.259895 NA MeJP NA NA +PJ004608 SSTLH C22H37N7O9 543.2653 NA PeJP NA NA +PJ004609 PLEW C27H37N5O7 543.2693 NA PeJP NA NA +PJ004610 SPPLM C24H41N5O7S 543.2727 NA PeJP NA NA +MJ079265 Elziverine C32H37N3O5 543.273321 NA MeJP NA NA +PJ004611 GSPQR C21H37N9O8 543.2765 NA PeJP NA NA +PJ004612 PNKW C26H37N7O6 543.2805 NA PeJP NA NA +PJ004613 GGPKW C26H37N7O6 543.2806 NA PeJP NA NA +MJ079266 Delterine; 1,14-Di-O-de-Me, 14-benzoyl C30H41NO8 543.283217 NA MeJP NA NA +MJ079267 Gracinine C30H41NO8 543.283217 NA MeJP NA NA +MJ079268 Harringtonine; Homologue (n = 4), 5'-deoxy C30H41NO8 543.283217 NA MeJP NA NA +MJ079269 Antibiotic BA 17039A C24H41N5O9 543.290427 NA MeJP NA NA +PJ004614 SPVLE C24H41N5O9 543.2905 NA PeJP NA NA +PJ004615 GPDKK C23H41N7O8 543.3017 NA PeJP NA NA +PJ004616 APPLF C28H41N5O6 543.3057 NA PeJP NA NA +PJ004617 APLLM C25H45N5O6S 543.3091 NA PeJP NA NA +PJ004618 GSPKR C22H41N9O7 543.3129 NA PeJP NA NA +PJ004619 LKHF C27H41N7O5 543.3169 NA PeJP NA NA +PJ004620 VNRR C21H41N11O6 543.3242 NA PeJP NA NA +PJ004621 GLLLE C25H45N5O8 543.3268 NA PeJP NA NA +EUR665 Lyso PC 18:1 [M+Na]+ C26H52NO7P 543.330088 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR665 Lyso PC 18:1 [M+Na]+ C26H52NO7P 543.330088 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR665 Lyso PC 18:1 [M+Na]+ C26H52NO7P 543.330088 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR665 Lyso PC 18:1 [M+Na]+ C26H52NO7P 543.330088 masses lipides attendues Inhousejuil11 NA NA +EUR575 LysoPC(20:4) NA 543.332175 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR575 LysoPC(20:4) [M+H]+ 543.332175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR575 LysoPC(20:4) NA 543.332175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR575 LysoPC(20:4) [M+H]+ 543.332175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR575 LysoPC(20:4) NA 543.332175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR575 LysoPC(20:4) [M+H]+ 543.332175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR575 LysoPC(20:4) NA 543.332175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR575 LysoPC(20:4) NA 543.332175 identifiés dans sérum NuGO HMDB NA NA +EUR575 LysoPC(20:4) NA 543.332175 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR575 LysoPC(20:4) [M+H]+ 543.332175 identifies dans serum NuGO Inhousejuil11 NA NA +EUR575 LysoPC(20:4) NA 543.332175 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR575 LysoPC(20:4) NA 543.332175 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR679 Lyso PC 20:4 monoisotopic mass C28H50NO7P 543.332492 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR679 Lyso PC 20:4 monoisotopic mass C28H50NO7P 543.332492 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR679 Lyso PC 20:4 monoisotopic mass C28H50NO7P 543.332492 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR679 Lyso PC 20:4 monoisotopic mass C28H50NO7P 543.332492 masses lipides attendues Inhousejuil11 NA NA +HMDB10395 LysoPC(20:4(5Z,8Z,11Z,14Z)) C28H50NO7P 543.33252 NA HMDB2010 NA NA +HMDB10396 LysoPC(20:4(8Z,11Z,14Z,17Z)) C28H50NO7P 543.33252 NA HMDB2010 NA NA +PJ004622 GRRR C20H41N13O5 543.3354 NA PeJP NA NA +PJ004623 APTKK C24H45N7O7 543.3381 NA PeJP NA NA +PJ004624 LLLW C29H45N5O5 543.3421 NA PeJP NA NA +PJ004625 LQKR C23H45N9O6 543.3493 NA PeJP NA NA +MJ079270 Daphnimacropine; 16-Deoxy, 22-acetoxy, N-oxide C32H49NO6 543.355988 NA MeJP NA NA +MJ079271 Ergokonin B; 3-O-(2-Amino-2-methylpropanoyl) C32H49NO6 543.355988 NA MeJP NA NA +PJ004626 SVLLL C26H49N5O7 543.3632 NA PeJP NA NA +MJ079272 Beauverolide B C31H49N3O5 543.367221 NA MeJP NA NA +MJ079273 Isarolide B C31H49N3O5 543.367221 NA MeJP NA NA +PJ004627 GVLKK C25H49N7O6 543.3745 NA PeJP NA NA +MJ079274 Antibiotic SF 2748; Antibiotic SF 2748E C29H53NO8 543.377117 NA MeJP NA NA +PJ004628 LKKR C24H49N9O5 543.3857 NA PeJP NA NA +MJ079275 Squalamine; 24-Desulfo, 24-ketone, 25,26-didehydro C34H61N3O2 543.476378 NA MeJP NA NA +MJ079276 3,5-Diacyl-1,4-dihydro-4-nonylpyridines; 3-Decanoyl-5-dodecanoyl-1,4-dihydro-4-nonylpyridine C36H65NO2 543.50153 NA MeJP NA NA +MJ079277 2,2',3,3'-Tetrabromo-4,4',5,5'-tetrahydroxydiphenylmethane C13H8Br4O4 543.715609 NA MeJP NA NA +MJ079278 2,2',5,5'-Tetrabromo-3,3'-bi-1H-indole C16H8Br4N2 543.742098 NA MeJP NA NA +MJ079279 2,2',6,6'-Tetrabromo-3,3'-bi-1H-indole C16H8Br4N2 543.742098 NA MeJP NA NA +7813 ACE inhibitor from yellowfish sole MIFPGAGGPEL 543.7612 MH2+ Inhouse_peptide NA peptide +MJ079280 1-[2-Chloro-6-[[(3-iodophenyl)methyl]amino]-9H-purin-9-yl]-1-deoxy-N-methyl-?-D-ribofuranuronamide C18H18ClIN6O4 544.012274 NA MeJP NA NA +MJ079281 3',4',5,7,8-Pentahydroxyflavone; 8-O-?-D-Glucopyranoside, 3'-O-sulfate C21H20O15S 544.05229 NA MeJP NA NA +MJ079282 Isoquercitrin; 3''-O-Sulfate C21H20O15S 544.05229 NA MeJP NA NA +MJ079283 Isoquercitrin; O''-Sulfate C21H20O15S 544.05229 NA MeJP NA NA +FL3FFCGSS001 8-Hydroxyluteolin 8-glucoside-3'-sulfate C21H20O15S 544.05229 63109-34-2 knapsack NA NA +FL3FFCGSS003 Hypolaetin 7-sulfate-8-glucoside;8-Hydroxyluteolin 7-sulfate-8-glucoside;2-(3,4-Dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-5-hydroxy-7-(sulfooxy)-4H-1-benzopyran-4-one C21H20O15S 544.05229 215113-45-4 knapsack NA NA +FL5FACGLS001 Quercetin 3-(3''-sulfatoglucoside) C21H20O15S 544.05229 86203-13-6 knapsack NA NA +FL5FACGSS005 Quercetin 3-glucoside-3'-sulfate;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-4H-1-benzopyran-4-one C21H20O15S 544.05229 754176-91-5 knapsack NA NA +C11915 dTDP-3-methyl-4-oxo-2,6-dideoxy-L-glucose C17H26N2O14P2 544.0859 NA KEGG NA NA +C18035 dTDP-3-methyl-4-oxo-2,6-dideoxy-D-glucose C17H26N2O14P2 544.0859 NA KEGG NA NA +MJ079284 dTDP-4-oxo-3-methyl-2,6-dideoxy-L-glucose C17H26N2O14P2 544.085926 NA MeJP NA NA +PJ004629 CCCCN C16H28N6O7S4 544.0903 NA PeJP NA NA +MJ079285 Viopurpurin C29H20O11 544.100561 NA MeJP NA NA +MJ079286 3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone; 6''-(4-Hydroxybenzoyl) C26H24O13 544.12169 NA MeJP NA NA +MJ079287 Hybocarpone C26H24O13 544.12169 NA MeJP NA NA +MJ079288 Asystasioside E; 10-(4-Hydroxycinnamoyl)(E-) C24H29ClO12 544.134754 NA MeJP NA NA +MJ079289 Asystasioside E; 10-(4-Hydroxycinnamoyl)(Z-) C24H29ClO12 544.134754 NA MeJP NA NA +MJ079290 2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)benzoquinone; 2,5-Bis-O-(4S,5S-epoxy-2Z-hexenoyl) C30H24O10 544.136946 NA MeJP NA NA +MJ079291 3,4',5,7-Tetrahydroxyflavan(2?7,4?8)-3,4',5,7-tetrahydroxyflavan C30H24O10 544.136946 NA MeJP NA NA +MJ079292 3,4',7,8-Tetrahydroxyflavan(3?4,4?5)-3,4',7,8-tetrahydroxyflavan C30H24O10 544.136946 NA MeJP NA NA +MJ079293 6,13-Bis(3,4-dihydroxyphenyl)-6a,7a,13a,14a-tetrahydro-6H,13H-[1,4]-dioxino[2,3-c:5,6-c']bis[1]benzopyran-3,10-diol C30H24O10 544.136946 NA MeJP NA NA +MJ079294 Cephalochromin; 3,3'-Di-Me, 2,3-didehydro C30H24O10 544.136946 NA MeJP NA NA +MJ079295 Flavoskyrin C30H24O10 544.136946 NA MeJP NA NA +MJ079296 Listvenol C30H24O10 544.136946 NA MeJP NA NA +MJ079297 Mahuannin C C30H24O10 544.136946 NA MeJP NA NA +MJ079298 1,5-Di-O-caffeoylquinic acid, 3',3''-Di-Me ether C27H28O12 544.158076 NA MeJP NA NA +MJ079299 3,4-Di-O-caffeoylquinic acid; 3''-Me ether, Me ester C27H28O12 544.158076 NA MeJP NA NA +MJ079300 Aranciamycin C27H28O12 544.158076 NA MeJP NA NA +MJ079301 Homaloside D C27H28O12 544.158076 NA MeJP NA NA +MJ079302 Poliothrysin; 6''-Benzoyl C27H28O12 544.158076 NA MeJP NA NA +MJ079303 Steffimycin; 9-Demethoxy C27H28O12 544.158076 NA MeJP NA NA +C12384 Premithramycin A1 C27H28O12 544.1581 NA KEGG NA NA +HMDB10356 Estriol 3-sulfate 16-glucuronide C24H32O12S 544.161438 NA HMDB2010 NA NA +PJ004630 CEMY C22H32N4O8S2 544.1662 NA PeJP NA NA +PJ004631 GCNDH C19H28N8O9S 544.17 NA PeJP NA NA +MJ079304 Isosulfan Blue C27H32N2O6S2 544.170178 NA MeJP NA NA +MJ079305 Sulphan blue C27H32N2O6S2 544.170178 NA MeJP NA NA +MJ079306 15-Chloro-1,4-epoxy-5,8,9-trihydroxy-11(13)-germacren-12,6-olid-14-oic acid, 8-(2-Hydroxymethyl-2-butenoyl), 9-(2-methylpropanoyl), Me ester C25H33ClO11 544.171139 NA MeJP NA NA +MJ079307 Verbenachalcone C31H28O9 544.173332 NA MeJP NA NA +MJ079308 Prednisolone; 21-(3-Sulfobenzoate) C28H32O9S 544.176703 NA MeJP NA NA +MJ079309 2-Butyl-4-(methylthio)-1-[[2'-[[[(propylamino)carbonyl]amino]sulfonyl][1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid C26H32N4O5S2 544.181411 NA MeJP NA NA +MJ079310 Octotiamine C23H36N4O5S3 544.184782 NA MeJP NA NA +MJ079311 Mutactimycin A C28H32O11 544.194461 NA MeJP NA NA +MJ079312 Physalin D C28H32O11 544.194461 NA MeJP NA NA +MJ079313 Physalin E C28H32O11 544.194461 NA MeJP NA NA +PJ004632 EEMH C21H32N6O9S 544.1952 NA PeJP NA NA +PJ004633 PCYY C26H32N4O7S 544.1992 NA PeJP NA NA +PJ004634 TMMY C23H36N4O7S2 544.2026 NA PeJP NA NA +MJ079314 Cadambine C27H32N2O10 544.205695 NA MeJP NA NA +MJ079315 Palinine C27H32N2O10 544.205695 NA MeJP NA NA +MJ079316 Strictosidine; 5-Oxo C27H32N2O10 544.205695 NA MeJP NA NA +PJ004635 GSNMH C20H32N8O8S 544.2064 NA PeJP NA NA +MJ079317 19-Chloro-7,8:17,18-diepoxy-10(17),13-xenicadiene-1,6,11,12,18-pentol; 11,12,18-Tri-Ac C26H37ClO10 544.207525 NA MeJP NA NA +MJ079318 Karwinskione; 10'-Hydroxy C32H32O8 544.209718 NA MeJP NA NA +MJ079319 Shikometabolin E C32H32O8 544.209718 NA MeJP NA NA +MJ079320 Toddasin C32H32O8 544.209718 NA MeJP NA NA +MJ079321 Fluperamide C30H32ClF3N2O2 544.21044 NA MeJP NA NA +PJ004636 GPNEE C21H32N6O11 544.2129 NA PeJP NA NA +PJ004637 DHHH C22H28N10O7 544.2143 NA PeJP NA NA +PJ004638 AEYY C26H32N4O9 544.2169 NA PeJP NA NA +MJ079322 Aestivophoenin A C31H32N2O7 544.220951 NA MeJP NA NA +MJ079323 Lanciferine C31H32N2O7 544.220951 NA MeJP NA NA +PJ004639 SSSQH C20H32N8O10 544.2242 NA PeJP NA NA +MJ079324 2-[3-[3-[(5-Ethyl-4'-fluoro-2-hydroxy[1,1'-biphenyl]-4-yl)oxy]propoxy]-2-propylphenoxy]benzoic acid C33H33FO6 544.226116 NA MeJP NA NA +PJ004640 PNEW C25H32N6O8 544.2282 NA PeJP NA NA +C11700 10-Deacetylbaccatin III C29H36O10 544.2308 NA KEGG NA NA +MJ079325 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 4-Ac C29H36O10 544.230847 NA MeJP NA NA +MJ079326 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 13-Ketone, 2-benzoyl, 4-Ac C29H36O10 544.230847 NA MeJP NA NA +MJ079327 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 4-Ac C29H36O10 544.230847 NA MeJP NA NA +MJ079328 Baccharinoid B13; 13'-Epimer, 8-Ketone C29H36O10 544.230847 NA MeJP NA NA +MJ079329 Cabralin C29H36O10 544.230847 NA MeJP NA NA +MJ079330 Cedrodorin; 6-Ac C29H36O10 544.230847 NA MeJP NA NA +MJ079331 Detigloylswietenine; 8?,30?-Epoxide, 3-Ac C29H36O10 544.230847 NA MeJP NA NA +MJ079332 Elaeodendroside A C29H36O10 544.230847 NA MeJP NA NA +MJ079333 Elaeodendroside D; 11-Oxo, 12?-hydroxy C29H36O10 544.230847 NA MeJP NA NA +MJ079334 Elaeodendroside N C29H36O10 544.230847 NA MeJP NA NA +MJ079335 Mytoxin A C29H36O10 544.230847 NA MeJP NA NA +MJ079336 Roridin J; 9?,10?-Epoxide C29H36O10 544.230847 NA MeJP NA NA +MJ079337 Satratoxin G C29H36O10 544.230847 NA MeJP NA NA +MJ079338 Swietenolide; 2-Hydroxy, 3-Ac C29H36O10 544.230847 NA MeJP NA NA +MJ079339 Vertisporin C29H36O10 544.230847 NA MeJP NA NA +MJ079340 Xylocarpin; 2-Hydroxy C29H36O10 544.230847 NA MeJP NA NA +MetaCyc03827 10-deacetylbaccatin III [] C29H36O10 544.230847 NA metacyc NA NA +PJ004641 SPPNM C22H36N6O8S 544.2316 NA PeJP NA NA +PJ004642 CLFY C27H36N4O6S 544.2356 NA PeJP NA NA +PJ004643 NQHF C24H32N8O7 544.2394 NA PeJP NA NA +MJ079341 Strictosidine; 3-Epimer, N4-Me C28H36N2O9 544.24208 NA MeJP NA NA +MJ079342 Strictosidine; N4-Me C28H36N2O9 544.24208 NA MeJP NA NA +PJ004644 GTCKH C21H36N8O7S 544.2428 NA PeJP NA NA +PJ004645 GPWW C29H32N6O5 544.2434 NA PeJP NA NA +MJ079343 4-Chloro-7(14)-bisabolene-1,2,3,8,10,11-hexol, 1,8-Diangeloyl, 2-Ac C27H41ClO9 544.24391 NA MeJP NA NA +C10085 Morellin C33H36O7 544.2461 NA KEGG NA NA +MJ079344 Gedunin; O-De-Ac, O-benzoyl C33H36O7 544.246103 NA MeJP NA NA +MJ079345 Morellin C33H36O7 544.246103 NA MeJP NA NA +PJ004646 GPDKE C22H36N6O10 544.2493 NA PeJP NA NA +MJ079346 2,3,12-Calamenenetriol; 11-Epimer, 3-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C26H40O12 544.251976 NA MeJP NA NA +MJ079347 2,3,12-Calamenenetriol; 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C26H40O12 544.251976 NA MeJP NA NA +MJ079348 7,20-Epoxy-16-kaurene-1,3,6,7,15,19-hexol, 19-O-?-D-Glucopyranoside C26H40O12 544.251976 NA MeJP NA NA +MJ079349 9,11,16,17-Tetrahydroxy-15-oxo-19-kauranoic acid, ?-D-Glucopyranosyl ester C26H40O12 544.251976 NA MeJP NA NA +MJ079350 Cinncassiol A; 19-O-?-D-Glucopyranoside C26H40O12 544.251976 NA MeJP NA NA +MJ079351 Penstriatoside; 8''-Deacyl C26H40O12 544.251976 NA MeJP NA NA +PJ004647 SLYY C27H36N4O8 544.2533 NA PeJP NA NA +MJ079352 Disidein; 6'-Bromo C31H45BrO3 544.255207 NA MeJP NA NA +7313 celiac sprue gluten epitope from gamma-gliadin PFPQPQQTF 544.2565 MH2+ Inhouse_peptide NA peptide +PJ004648 SSSKH C21H36N8O9 544.2605 NA PeJP NA NA +MJ079353 Streptothricin; Streptothricin F, N?-Ac C21H36N8O9 544.260524 NA MeJP NA NA +PJ004649 GSPER C21H36N8O9 544.2606 NA PeJP NA NA +PJ004650 PDKW C26H36N6O7 544.2646 NA PeJP NA NA +MJ079354 1,10:4,5-Diepoxy-3,6,8-trihydroxy-11-germacren-9-one, Triangeloyl C30H40O9 544.267232 NA MeJP NA NA +MJ079355 Acnistin E; 7?-Acetoxy C30H40O9 544.267232 NA MeJP NA NA +MJ079356 Affinoside C; 16,17-Didehydro C30H40O9 544.267232 NA MeJP NA NA +MJ079357 Citreohybridone D; 23-Carboxylic acid C30H40O9 544.267232 NA MeJP NA NA +MJ079358 Khivorin; 3-De-Ac C30H40O9 544.267232 NA MeJP NA NA +MJ079359 Sendandal C30H40O9 544.267232 NA MeJP NA NA +MJ079360 Withajardin A; 5?,6?-Epoxide, 4-Ac C30H40O9 544.267232 NA MeJP NA NA +MJ079361 Withaminimin; 16?,17?-Epoxide C30H40O9 544.267232 NA MeJP NA NA +PJ004651 GPLQM C23H40N6O7S 544.2679 NA PeJP NA NA +PJ004652 GGAPLM C23H40N6O7S 544.268 NA PeJP NA NA +PJ004653 NQQR C20H36N10O8 544.2718 NA PeJP NA NA +MJ079362 Difenoxin; 2-Phenoxyethyl ester C36H36N2O3 544.272593 NA MeJP NA NA +7572 ACE inhibitor from myosin heavy chain ITTNP 544.2729 antioxidative Inhouse_peptide NA peptide +7 Myosin ITTNP 544.275 celiac toxic Inhouse_peptide NA peptide +PJ004654 SPRW C25H36N8O6 544.2758 NA PeJP NA NA +MJ079363 Macbecin I; O11-De-Me C29H40N2O8 544.278466 NA MeJP NA NA +MJ079364 Macbecin I; O12-De-Me C29H40N2O8 544.278466 NA MeJP NA NA +MJ079365 Macbecin I; O15-De-Me C29H40N2O8 544.278466 NA MeJP NA NA +PJ004655 AAPMR C22H40N8O6S 544.2792 NA PeJP NA NA +MJ079366 Tryptophyllin L 3.2; 4-Amide C30H36N6O4 544.279803 NA MeJP NA NA +PJ004656 APTKE C23H40N6O9 544.2857 NA PeJP NA NA +HMDB05821 beta-Cortol C27H44O11 544.28833 http://www.hmdb.ca/metabolites/HMDB05821 HMDB NA NA +HMDB05821 beta-Cortol C27H44O11 544.28833 HMDB05821 PFEM_hmdb_metabocards_official NA NA +MJ079367 Difficol; O-Phosphate C31H45O6P 544.295375 NA MeJP NA NA +PJ004657 LQER C22H40N8O8 544.2969 NA PeJP NA NA +PJ004658 VLQW C27H40N6O6 544.301 NA PeJP NA NA +MJ079368 3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-(4-O-Methyl-?-L-rhamnopyranoside) C31H44O8 544.303618 NA MeJP NA NA +MJ079369 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 11,12-Ditigloyl C31H44O8 544.303618 NA MeJP NA NA +MJ079370 Cleoamblynol A C31H44O8 544.303618 NA MeJP NA NA +MJ079371 Fevicordin F; 23,24-Dihydro, 22-ketone, 25-Ac C31H44O8 544.303618 NA MeJP NA NA +MJ079372 Implexin C31H44O8 544.303618 NA MeJP NA NA +MJ079373 Milbemycin ?1; 26-Hydroxy C31H44O8 544.303618 NA MeJP NA NA +MJ079374 Nymania 2 C31H44O8 544.303618 NA MeJP NA NA +MJ079375 Petuniolide A C31H44O8 544.303618 NA MeJP NA NA +PJ004659 GPLKM C24H44N6O6S 544.3043 NA PeJP NA NA +MJ079376 Ergost-22-ene-3,5,6,15,26-pentol, 26-Sulfate C28H48O8S 544.306989 NA MeJP NA NA +MJ079377 Ergost-22-ene-3,5,6,15,28-pentol, 28-Sulfate C28H48O8S 544.306989 NA MeJP NA NA +PJ004660 VDRR C21H40N10O7 544.3082 NA PeJP NA NA +PJ004661 ALRW C26H40N8O5 544.3122 NA PeJP NA NA +FL1C1CNI0002 5,3'-Digeranyl-3,4,2',4'-tetrahydroxychalcone;Prorepensin C35H44O5 544.31887 441772-63-0 knapsack NA NA +PJ004662 GVLKE C24H44N6O8 544.3221 NA PeJP NA NA +MJ079378 Glidobactin PF1 C29H44N4O6 544.326085 NA MeJP NA NA +PJ004663 LKER C23H44N8O7 544.3333 NA PeJP NA NA +PJ004664 VLKW C28H44N6O5 544.3373 NA PeJP NA NA +MJ079379 24,25-Epoxy-11,12,23-trihydroxy-13(17)-protostene-3,16-dione, 23-Ac C32H48O7 544.340003 NA MeJP NA NA +MJ079380 3,19-Dihydroxy-1-oxo-12-ursene-23,28-dioic acid, Di-Me ester C32H48O7 544.340003 NA MeJP NA NA +MJ079381 7,21,23,25-Tetrahydroxy-1,14-apotirucalladiene-3,24-dione, 7-Ac C32H48O7 544.340003 NA MeJP NA NA +MJ079382 Alismalactone; Ac C32H48O7 544.340003 NA MeJP NA NA +MJ079383 Hovenidulcigenin A C32H48O7 544.340003 NA MeJP NA NA +MJ079384 Ilikonapyrone C32H48O7 544.340003 NA MeJP NA NA +MJ079385 Milbemycin ?1 C32H48O7 544.340003 NA MeJP NA NA +MJ079386 Milbemycin ?2; 5-O-De-Me C32H48O7 544.340003 NA MeJP NA NA +MJ079387 Onchitriol I C32H48O7 544.340003 NA MeJP NA NA +MJ079388 Petuniasterone B; 22-Ac C32H48O7 544.340003 NA MeJP NA NA +MJ079389 Petuniasterone S C32H48O7 544.340003 NA MeJP NA NA +MJ079390 Sapelin C; 7-O-Ac, 24?-hydroxy C32H48O7 544.340003 NA MeJP NA NA +PJ004665 TLRR C22H44N10O6 544.3446 NA PeJP NA NA +MJ079391 Hexahydro-1,4-bis[4-(3,4,5-trimethoxyphenyl)butyl]-1H-1,4-diazepine C31H48N2O6 544.351237 NA MeJP NA NA +PJ004666 ATLLK C25H48N6O7 544.3585 NA PeJP NA NA +MJ079392 Buxaltine H C35H48N2O3 544.366493 NA MeJP NA NA +PJ004667 AAKKK C24H48N8O6 544.3697 NA PeJP NA NA +MJ079393 Leprotene; 3-Hydroxy C40H48O 544.370516 NA MeJP NA NA +MJ079394 12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 12-Ketone, 16-O-(3S-hydroxy-4-methylpentanoyl) C33H52O6 544.376389 NA MeJP NA NA +MJ079395 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 2-Ac, Me ester C33H52O6 544.376389 NA MeJP NA NA +MJ079396 3,7,15-Trihydroxylanosta-8,24-dien-26-oic acid, 7-Me ether, 3-Ac C33H52O6 544.376389 NA MeJP NA NA +MJ079397 3,7,22-Trihydroxylanosta-8,24-dien-26-oic acid, 22-Ac, 7-Me ether C33H52O6 544.376389 NA MeJP NA NA +MJ079398 Alisol B; 23-Ac, 16?-methoxy C33H52O6 544.376389 NA MeJP NA NA +MJ079399 Incarvine A; N-Oxide C32H52N2O5 544.387622 NA MeJP NA NA +MJ079400 7,9(11)-Multifloradiene-3,29-diol; 3?-form, 3-O-Benzoyl C37H52O3 544.391645 NA MeJP NA NA +MJ079401 2,3,22-Stictanetriol, 2,3-Di-Ac C34H56O5 544.412774 NA MeJP NA NA +MJ079402 20,24-Epoxydammarane-3,25-diol, Di-Ac C34H56O5 544.412774 NA MeJP NA NA +MJ079403 6,16,22-Hopanetriol, 6,16-Di-Ac C34H56O5 544.412774 NA MeJP NA NA +MJ079404 29-(2,3,4,5-Tetrahydroxypentyl)-6-hopene C35H60O4 544.44916 NA MeJP NA NA +MJ079405 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, Hexacosyl ester C35H60O4 544.44916 NA MeJP NA NA +MJ079406 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Pentacosyl ester C35H60O4 544.44916 NA MeJP NA NA +MJ079407 2-(4-Hydroxyphenyl)ethanol; 1-O-Octacosanoyl C36H64O3 544.485545 NA MeJP NA NA +HMDB02181 7,7',8,8',11,12,-octahydro-y,y-Carotene C40H64 544.50079 http://www.hmdb.ca/metabolites/HMDB02181 HMDB NA NA +HMDB02181 7,7',8,8',11,12,-octahydro-y,y-Carotene C40H64 544.50079 HMDB02181 PFEM_hmdb_metabocards_official NA NA +HMDB02181 Phytoene C40H64 544.500793 NA HMDB2010 NA NA +C05413 Phytoene C40H64 544.5008 NA KEGG NA NA +C05421 15-cis-Phytoene C40H64 544.5008 NA KEGG NA NA +MJ079408 Phytoene C40H64 544.500802 NA MeJP NA NA +MJ079409 1,2,7,7',8,8',11,12-Octahydrolycopene C40H64 544.500802 NA MeJP NA NA +MJ079410 7,7',8,8',11,11',12,12'-Octahydrolycopene C40H64 544.500802 NA MeJP NA NA +MetaCyc03828 phytoene [7,7',8,8',11,11',12,12'-octahydro-ψ,ψ-caro;] C40H64 544.500802 540-04-5 metacyc NA NA +MJ079411 16,23-Octatriacontadien-3-one C38H72O 544.558316 NA MeJP NA NA +3108 adrenocorticotropin hormone fr,:4-11 MEHFRWGK 544.7517 MH2+ Inhouse_peptide NA peptide +8243 Antioxidative peptide LVEKGDVAFI 544.79645 MH2+ Inhouse_peptide NA peptide +C13143 Ceftiofur sodium C19H16N5O7S3 545.011 NA KEGG NA NA +PJ004668 CCCCD C16H27N5O8S4 545.0743 NA PeJP NA NA +MJ079412 Dragmacidin F C25H20BrN7O3 545.0811 NA MeJP NA NA +MJ079413 Plastatin C28H19NO11 545.09581 NA MeJP NA NA +MJ079414 Technetium siboroxime C16H29BClN6O6Tc 545.100231 NA MeJP NA NA +PJ004669 SCCCM C17H31N5O7S4 545.1107 NA PeJP NA NA +C12321 dTDP-L-epivancosamine C17H29N3O13P2 545.1176 NA KEGG NA NA +C12322 dTDP-L-vancosamine C17H29N3O13P2 545.1176 NA KEGG NA NA +MJ079415 Dynemicin P; 5-Me ether, 3'-hydroxy C29H23NO10 545.132195 NA MeJP NA NA +MJ079416 Fibracillin C26H28ClN3O6S 545.138734 NA MeJP NA NA +PJ004670 ACCCF C21H31N5O6S3 545.1437 NA PeJP NA NA +MJ079417 2-(Phenylthio)ethyl 7,8,9,10-tetrahydro-2-(2-hydroxyethoxy)-6a,10a-epoxy-6,10-[3]hexene[1,5]diynophenanthridine-5(6H)-carboxylate; S,S-Dioxide C30H27NO7S 545.150822 NA MeJP NA NA +PJ004671 GCDDH C19H27N7O10S 545.154 NA PeJP NA NA +MJ079418 3-[3-(Aminoiminomethyl)phenyl]-N-[2'-(aminosulfonyl)[1,1'-biphenyl]-4-yl]-4,5-dihydro-5-(1H-tetrazol-1-ylmethyl)-5-isoxazolecarboxamide C25H23N9O4S 545.15937 NA MeJP NA NA +MJ079419 2-Amino-6-(hydroxymethyl)-4(1H)-pteridinone; O-[4-O-Methyl-?-D-glucuronopyranosyl-(1?6)-?-D-galactopyranoside] C20H27N5O13 545.160535 NA MeJP NA NA +PJ004672 GTCCY C21H31N5O8S2 545.1614 NA PeJP NA NA +MJ079420 Lamellarin H; 7-Hydroxy, 5,6-dihydro, 7,8,9,12,21-penta-Me ether C30H27NO9 545.168581 NA MeJP NA NA +PJ004673 SPCCH C20H31N7O7S2 545.1727 NA PeJP NA NA +PJ004674 SSSCY C21H31N5O10S 545.1792 NA PeJP NA NA +MJ079421 Adriamycin; 13S-Alcohol C27H31NO11 545.18971 NA MeJP NA NA +MJ079422 Antibiotic GPI C27H31NO11 545.18971 NA MeJP NA NA +PJ004675 GSDMH C20H31N7O9S 545.1904 NA PeJP NA NA +PJ004676 CNFY C25H31N5O7S 545.1944 NA PeJP NA NA +HMDB06592 Lacto-N-triaose C20H35NO16 545.195557 NA HMDB2010 NA NA +HMDB06592 Lacto-N-triaose C20H35NO16 545.19556 http://www.hmdb.ca/metabolites/HMDB06592 HMDB NA NA +HMDB06592 Lacto-N-triaose C20H35NO16 545.19556 HMDB06592 PFEM_hmdb_metabocards_official NA NA +MJ079423 2-Amino-2-deoxy-?-D-glucopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-D-glucose; N-Ac C20H35NO16 545.195584 NA MeJP NA NA +MJ079424 ?-D-Galactopyranosyl-(1?3)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)-D-galactose; 2'-N-Ac C20H35NO16 545.195584 NA MeJP NA NA +MJ079425 ?-D-Galactopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?6)]-2-amino-2-deoxy-D-mannose; ?-Pyranose-form, N-Ac C20H35NO16 545.195584 NA MeJP NA NA +MJ079426 ?-D-Galactopyranosyl-(1?4)-?-D-galactopyranosyl-(1?4)-2-amino-2-deoxy-D-glucose; ?-Pyranose-form, N-Ac C20H35NO16 545.195584 NA MeJP NA NA +MetaCyc03829 α-D-galactosyl-(1,3)-β-D-galactosyl-(1,4)-N-acetyl-D-glucosamine [] C20H35N1O16 545.195584 NA metacyc NA NA +C04428 alpha-D-Galactosyl-N-acetyllactosamine C20H35NO16 545.1956 NA KEGG NA NA +C04429 beta-D-Glucosylpoly(ribitol phosphate) C20H35NO16 545.1956 NA KEGG NA NA +C04847 alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosamine C20H35NO16 545.1956 NA KEGG NA NA +C04848 Variant-surface-glycoprotein 1,2-dimyristyl-sn-phosphatidylinositol C89H159N3O53PR 545.1956 NA KEGG NA NA +PJ004677 GPDEE C21H31N5O12 545.1969 NA PeJP NA NA +PJ004678 APDDE C21H31N5O12 545.197 NA PeJP NA NA +PJ004679 TCHW C24H31N7O6S 545.2057 NA PeJP NA NA +PJ004680 SSSEH C20H31N7O11 545.2082 NA PeJP NA NA +PJ004681 QMMH C21H35N7O6S2 545.209 NA PeJP NA NA +PJ004682 GAMMH C21H35N7O6S2 545.2091 NA PeJP NA NA +PJ004683 PDEW C25H31N5O9 545.2122 NA PeJP NA NA +PJ004684 SPPDM C22H35N5O9S 545.2156 NA PeJP NA NA +PJ004685 GNNNQ C19H31N9O10 545.2194 NA PeJP NA NA +MJ079427 Denticin B; N2-Me C27H35N3O7S 545.219571 NA MeJP NA NA +PJ004686 CMHR C20H35N9O5S2 545.2203 NA PeJP NA NA +PJ004687 NEHF C24H31N7O8 545.2234 NA PeJP NA NA +PJ004688 GTTMH C21H35N7O8S 545.2268 NA PeJP NA NA +PJ004689 APTEE C22H35N5O11 545.2333 NA PeJP NA NA +MetaCyc03830 dihydrozeatin-9-N-glucoside-O-glucoside [] C22H35N5O11 545.233307 NA metacyc NA NA +HMDB12212 Dihydrozeatin-9-N-glucoside-O-glucoside C22H35N5O11 545.233337 NA HMDB2010 NA NA +PJ004690 APPMM C23H39N5O6S2 545.2342 NA PeJP NA NA +PJ004691 GPCNR C20H35N9O7S 545.238 NA PeJP NA NA +PJ004692 GGGPCR C20H35N9O7S 545.2381 NA PeJP NA NA +PJ004693 GHFW C28H31N7O5 545.2387 NA PeJP NA NA +PJ004694 STTTH C21H35N7O10 545.2446 NA PeJP NA NA +PJ004695 KMMH C22H39N7O5S2 545.2454 NA PeJP NA NA +MJ079428 Asterin A; Me ester C26H35N5O8 545.248563 NA MeJP NA NA +MJ079429 Asterinin A; Me ester C26H35N5O8 545.248563 NA MeJP NA NA +MJ079430 Asterinin C C26H35N5O8 545.248563 NA MeJP NA NA +PJ004696 GPPEF C26H35N5O8 545.2486 NA PeJP NA NA +PJ004697 GPLEM C23H39N5O8S 545.252 NA PeJP NA NA +MJ079431 Anthraserpine; 11-Demethoxy C31H35N3O6 545.252585 NA MeJP NA NA +PJ004698 NQER C20H35N9O9 545.2558 NA PeJP NA NA +PJ004699 VNQW C25H35N7O7 545.2598 NA PeJP NA NA +MJ079432 Cephalezomine A; 4''-Deoxy C29H39NO9 545.262481 NA MeJP NA NA +MJ079433 Harringtonine; Homologue (n = 3) C29H39NO9 545.262481 NA MeJP NA NA +MJ079434 Hetisan-2,3,9,11,13,14-hexol, 2-(2-Methylbutanoyl), 3,13-di-Ac C29H39NO9 545.262481 NA MeJP NA NA +PJ004700 GPNKM C22H39N7O7S 545.2632 NA PeJP NA NA +PJ004701 PPFW C30H35N5O5 545.2638 NA PeJP NA NA +HMDB02640 N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine C26H43NO9S 545.265869 NA HMDB2010 NA NA +HMDB02644 N-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-Glycine C26H43NO9S 545.265869 NA HMDB2010 NA NA +HMDB02640 N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine C26H43NO9S 545.26587 http://www.hmdb.ca/metabolites/HMDB02640 HMDB NA NA +HMDB02644 N-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-Glycine C26H43NO9S 545.26587 http://www.hmdb.ca/metabolites/HMDB02644 HMDB NA NA +HMDB02640 N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine C26H43NO9S 545.26587 HMDB02640 PFEM_hmdb_metabocards_official NA NA +HMDB02644 N-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-Glycine C26H43NO9S 545.26587 HMDB02644 PFEM_hmdb_metabocards_official NA NA +PJ004702 PLMW C27H39N5O5S 545.2672 NA PeJP NA NA +PJ004703 GVLEE C23H39N5O10 545.2697 NA PeJP NA NA +PJ004704 ANRW C24H35N9O6 545.271 NA PeJP NA NA +PJ004705 GQRW C24H35N9O6 545.2711 NA PeJP NA NA +3371 ACE inhibitor from b-CN AVPYP 545.272 celiac toxic Inhouse_peptide NA peptide +EUR887 Lyso PE 20:5 [M+FA-H]- C25H42NO7P 545.274772 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR887 Lyso PE 20:5 [M+FA-H]- C25H42NO7P 545.274772 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR887 Lyso PE 20:5 [M+FA-H]- C25H42NO7P 545.274772 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR887 Lyso PE 20:5 [M+FA-H]- C25H42NO7P 545.274772 masses lipides attendues Inhousejuil11 NA NA +PJ004706 SSPQK C22H39N7O9 545.2809 NA PeJP NA NA +PJ004707 LEER C22H39N7O9 545.281 NA PeJP NA NA +PJ004708 PHHR C23H35N11O5 545.2823 NA PeJP NA NA +PJ004709 VLEW C27H39N5O7 545.285 NA PeJP NA NA +7390 celiac sprue gluten epitope found in hordein QQPQQPLPR 545.2865 MH2+ Inhouse_peptide NA peptide +PJ004710 SPVLM C24H43N5O7S 545.2883 NA PeJP NA NA +MJ079435 Gentiacraline C32H39N3O5 545.288971 NA MeJP NA NA +PJ004711 NKER C21H39N9O8 545.2922 NA PeJP NA NA +PJ004712 VNKW C26H39N7O6 545.2962 NA PeJP NA NA +PJ004713 APCKK C23H43N7O6S 545.2996 NA PeJP NA NA +C09996 Americine C31H39N5O4 545.3002 NA KEGG NA NA +MJ079436 Americine C31H39N5O4 545.300204 NA MeJP NA NA +MJ079437 Ergocornam C31H39N5O4 545.300204 NA MeJP NA NA +PJ004714 SQRR C20H39N11O7 545.3034 NA PeJP NA NA +PJ004715 ATLLE C24H43N5O9 545.3061 NA PeJP NA NA +PJ004716 GKRW C25H39N9O5 545.3074 NA PeJP NA NA +MJ079438 Tridecanochelerythrine C34H43NO5 545.314123 NA MeJP NA NA +PJ004717 AAKKE C23H43N7O8 545.3173 NA PeJP NA NA +PJ004718 GPLLF C28H43N5O6 545.3214 NA PeJP NA NA +PJ004719 GLLLM C25H47N5O6S 545.3247 NA PeJP NA NA +PJ004720 DKKR C22H43N9O7 545.3286 NA PeJP NA NA +PJ004721 SKRR C21H43N11O6 545.3398 NA PeJP NA NA +PJ004722 STLLL C25H47N5O8 545.3425 NA PeJP NA NA +EUR670 Lyso PC 18:0 [M+Na]+ C26H54NO7P 545.345738 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR670 Lyso PC 18:0 [M+Na]+ C26H54NO7P 545.345738 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR670 Lyso PC 18:0 [M+Na]+ C26H54NO7P 545.345738 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR670 Lyso PC 18:0 [M+Na]+ C26H54NO7P 545.345738 masses lipides attendues Inhousejuil11 NA NA +EUR759 Lyso PC 20:3 monoisotopic mass C28H52NO7P 545.348142 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR759 Lyso PC 20:3 monoisotopic mass C28H52NO7P 545.348142 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR759 Lyso PC 20:3 monoisotopic mass C28H52NO7P 545.348142 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR759 Lyso PC 20:3 monoisotopic mass C28H52NO7P 545.348142 masses lipides attendues Inhousejuil11 NA NA +HMDB10393 LysoPC(20:3(5Z,8Z,11Z)) C28H52NO7P 545.348145 NA HMDB2010 NA NA +HMDB10394 LysoPC(20:3(8Z,11Z,14Z)) C28H52NO7P 545.348145 NA HMDB2010 NA NA +EUR583 LysoPC(20:3) NA 545.348175 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR583 LysoPC(20:3) [M+H]+ 545.348175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR583 LysoPC(20:3) NA 545.348175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR583 LysoPC(20:3) [M+H]+ 545.348175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR583 LysoPC(20:3) NA 545.348175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR583 LysoPC(20:3) [M+H]+ 545.348175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR583 LysoPC(20:3) NA 545.348175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR583 LysoPC(20:3) NA 545.348175 identifiés dans sérum NuGO HMDB NA NA +EUR583 LysoPC(20:3) NA 545.348175 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR583 LysoPC(20:3) [M+H]+ 545.348175 identifies dans serum NuGO Inhousejuil11 NA NA +EUR583 LysoPC(20:3) NA 545.348175 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR583 LysoPC(20:3) NA 545.348175 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +PJ004723 GTLKK C24H47N7O7 545.3537 NA PeJP NA NA +MJ079439 Stacopin P1 C29H47N5O5 545.357719 NA MeJP NA NA +MJ079440 Veracintine; 3-O-?-D-Glucopyranoside C32H51NO6 545.371638 NA MeJP NA NA +MJ079441 29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-Deoxy, 35-amino C35H63NO3 545.480794 NA MeJP NA NA +MJ079442 Iron(II) citrate C12H10Fe3O14 545.811881 NA MeJP NA NA +C15143 (2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone C19H16I2O3 545.9189 NA KEGG NA NA +HMDB01399 4,6-Dideoxy-4-oxo-dTDP-D-glucose C16H24N2O15P2 546.065186 NA HMDB2010 NA NA +HMDB01399 4,6-Dideoxy-4-oxo-dTDP-D-glucose C16H24N2O15P2 546.06519 http://www.hmdb.ca/metabolites/HMDB01399 HMDB NA NA +HMDB01399 4,6-Dideoxy-4-oxo-dTDP-D-glucose C16H24N2O15P2 546.06519 HMDB01399 PFEM_hmdb_metabocards_official NA NA +MJ079443 dTDP-3-oxo-6-deoxy-D-glucose C16H24N2O15P2 546.065191 NA MeJP NA NA +MJ079444 dTDP-4-dehydro-6-deoxy-D-glucose C16H24N2O15P2 546.065191 NA MeJP NA NA +MJ079445 dTDP-4-dehydro-6-deoxy-L-mannose C16H24N2O15P2 546.065191 NA MeJP NA NA +MetaCyc03831 dTDP-4-dehydro-6-deoxy-L-mannose [dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose;dTDP-4-dehydro-L-rhamnose;] C16H24N2O15P2 546.065191 NA metacyc NA NA +MetaCyc03832 dTDP-4-dehydro-6-deoxy-D-glucose [TDP-4-keto-6-deoxy-D-glucose;TDP-4-oxo-6-deoxy-D-glucose;dTDP-4-oxo-6-deoxy-D-glucose;] C16H24N2O15P2 546.065191 NA metacyc NA NA +C00688 dTDP-4-dehydro-6-deoxy-L-mannose C16H24N2O15P2 546.0652 NA KEGG NA NA +C11907 4,6-Dideoxy-4-oxo-dTDP-D-glucose C16H24N2O15P2 546.0652 NA KEGG NA NA +C11908 3,6-Dideoxy-3-oxo-dTDP-D-glucose C16H24N2O15P2 546.0652 NA KEGG NA NA +C11926 dTDP-4-oxo-6-deoxy-D-allose C16H24N2O15P2 546.0652 NA KEGG NA NA +MJ079446 Ustilaginoidin C C28H18O12 546.079826 NA MeJP NA NA +MJ079447 Xanthomegnin; Di-O-de-Me C28H18O12 546.079826 NA MeJP NA NA +C06889 Ceftazidime C22H22N6O7S2 546.0991 NA KEGG NA NA +MJ079448 Ceftazidime C22H22N6O7S2 546.099138 NA MeJP NA NA +MJ079449 dTDP-L-mycarose C17H28N2O14P2 546.101576 NA MeJP NA NA +C11916 dTDP-L-mycarose C17H28N2O14P2 546.1016 NA KEGG NA NA +C11921 dTDP-L-oleandrose C17H28N2O14P2 546.1016 NA KEGG NA NA +C12444 dTDP-D-mycarose C17H28N2O14P2 546.1016 NA KEGG NA NA +MJ079450 ?-D-Galactopyranuronosyl-(1?4)-?-D-galactopyranuronosyl-(1?4)-D-galacturonic acid C18H26O19 546.106828 NA MeJP NA NA +MJ079451 Duclauxin C29H22O11 546.116211 NA MeJP NA NA +MJ079452 Antibiotic A 80915C C26H33Cl3O6 546.134271 NA MeJP NA NA +MJ079453 2',4',5',7-Tetrahydroxyisoflavene; 2'-Me, 4',5'-methylene ether, 7-O-(6-O-malonyl-?-D-glucopyranoside) C26H26O13 546.13734 NA MeJP NA NA +MJ079454 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-(2E-Butenoyl) C26H26O13 546.13734 NA MeJP NA NA +MJ079455 4',6,7-Trihydroxyisoflavone; 4',6-Di-Me ether, 7-O-(6-O-malonyl-?-D-glucopyranoside) C26H26O13 546.13734 NA MeJP NA NA +MJ079456 5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside), Me ester C26H26O13 546.13734 NA MeJP NA NA +MJ079457 Quercimeritrin; 6''-O-Tigloyl C26H26O13 546.13734 NA MeJP NA NA +FL3FEAGS0032 Scutellarein 4'-methyl ether 7-(2'',6''-diacetylalloside) C26H26O13 546.13734 - knapsack NA NA +FL5FACGI0001 Quercetin 7-(6''-tiglylglucoside) C26H26O13 546.13734 56365-37-8 knapsack NA NA +FL5FADGL0036 Isorhamnetin 3-[6''-(2-(E)-butenoyl)-glucoside];(E)-5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[[6-O-(1-oxo-2-butenyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C26H26O13 546.13734 145204-82-6 knapsack NA NA +FLIA2AGS0006 Afrormosin 7-O-(6''-malonylglucoside) C26H26O13 546.13734 131670-16-1 knapsack NA NA +MJ079458 10-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,9-diol C30H26O10 546.152597 NA MeJP NA NA +MJ079459 3',4',7-Trihydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan C30H26O10 546.152597 NA MeJP NA NA +MJ079460 3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4,4',7-pentahydroxyflavan, 4'-Deoxy C30H26O10 546.152597 NA MeJP NA NA +MJ079461 3,3',4',7-Tetrahydroxyflavan(4?8)-3,3',4',7-tetrahydroxyflavan C30H26O10 546.152597 NA MeJP NA NA +MJ079462 3,3',4',7-Tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan C30H26O10 546.152597 NA MeJP NA NA +MJ079463 3,4',5,7-Tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan C30H26O10 546.152597 NA MeJP NA NA +MJ079464 3,4',7-Trihydroxyflavan(4?6')-3,3',4',7-tetrahydroxyflavan, 3''-Hydroxy C30H26O10 546.152597 NA MeJP NA NA +MJ079465 3,4',7-Trihydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan C30H26O10 546.152597 NA MeJP NA NA +MJ079466 3,4',7-Trihydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan C30H26O10 546.152597 NA MeJP NA NA +MJ079467 4',7,8-Trihydroxyflavan(4?6)-3,4,4',7,8-pentahydroxyflavan C30H26O10 546.152597 NA MeJP NA NA +MJ079468 4',7-Dihydroxyflavan(4?8)-3,3',4',5,5',7-hexahydroxyflavan C30H26O10 546.152597 NA MeJP NA NA +MJ079469 4-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-3,4,7,8-tetrahydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3,7-diol C30H26O10 546.152597 NA MeJP NA NA +MJ079470 6-(3,7-Dihydroxychroman-2-yl)-4-(2,4-dihydroxyphenyl)-3,3',4',8-tetrahydroxyflavan C30H26O10 546.152597 NA MeJP NA NA +MJ079471 Atrovirin B C30H26O10 546.152597 NA MeJP NA NA +MJ079472 Cephalochromin; 3,3'-Di-Me C30H26O10 546.152597 NA MeJP NA NA +MJ079473 Elsinochrome D C30H26O10 546.152597 NA MeJP NA NA +MJ079474 Flavomannin C30H26O10 546.152597 NA MeJP NA NA +MJ079475 Hypocrellin C30H26O10 546.152597 NA MeJP NA NA +MJ079476 Isohypocrellin C30H26O10 546.152597 NA MeJP NA NA +MJ079477 Madurahydroxylactone; 3-O-Butyl C30H26O10 546.152597 NA MeJP NA NA +MJ079478 Shiraiachrome A C30H26O10 546.152597 NA MeJP NA NA +MJ079479 Shiraiachrome B C30H26O10 546.152597 NA MeJP NA NA +MJ079480 Spiromentin E C30H26O10 546.152597 NA MeJP NA NA +MJ079481 Spiromentin G C30H26O10 546.152597 NA MeJP NA NA +MJ079482 Spiromentin I C30H26O10 546.152597 NA MeJP NA NA +MJ079483 Vioxanthin C30H26O10 546.152597 NA MeJP NA NA +MJ079484 Xanthoaphin fb C30H26O10 546.152597 NA MeJP NA NA +MJ079485 Xanthoaphin sl-1 C30H26O10 546.152597 NA MeJP NA NA +MJ079486 Xanthoaphin sl-2 C30H26O10 546.152597 NA MeJP NA NA +MJ079487 [p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',3'-Bis(4S,5S-epoxy-2Z-hexenoyl) C30H26O10 546.152597 NA MeJP NA NA +MetaCyc03833 xanthoaphin [] C30H26O10 546.152597 1674-44-8 metacyc NA NA +C01863 Xanthoaphin C30H26O10 546.1526 NA KEGG NA NA +C10209 Afzelechin-(4alpha->8)-afzelechin C30H26O10 546.1526 NA KEGG NA NA +C10231 Guibourtinidol-(4alpha->6)-catechin C30H26O10 546.1526 NA KEGG NA NA +PJ004724 CMMY C22H34N4O6S3 546.1641 NA PeJP NA NA +PJ004725 GCCQH C19H30N8O7S2 546.1679 NA PeJP NA NA +C04194 Flavonol 3-O-[alpha-L-rhamnosyl-(1->6)-beta-D-glucoside] C27H30O12 546.1737 NA KEGG NA NA +C04195 Glycoprotein phosphatidylinositol C27H30O12 546.1737 NA KEGG NA NA +C04196 Heparosan-N-sulfate D-glucuronate C27H30O12 546.1737 NA KEGG NA NA +MJ079488 2,3,3',4,4'-Pentahydroxylign-7-en-9,9'-olide, 3,4-Methylene, 3',4'-di-Me ether, 2-O-?-D-glucopyranoside C27H30O12 546.173726 NA MeJP NA NA +MJ079489 4',7-Dihydroxyisoflavone; 4',7-Di-O-?-L-rhamnopyranoside C27H30O12 546.173726 NA MeJP NA NA +MJ079490 4'-Demethylpodophyllotoxin; 7-Deoxy, 4'-O-?-glucopyranoside C27H30O12 546.173726 NA MeJP NA NA +MJ079491 5'-Demethoxy-?-peltatin A; O-?-D-Glucopyranoside C27H30O12 546.173726 NA MeJP NA NA +MJ079492 Anthracycline XF 1 C27H30O12 546.173726 NA MeJP NA NA +MJ079493 Aranciamycin; 1?-Alcohol C27H30O12 546.173726 NA MeJP NA NA +MJ079494 Bruceanic acid A; 15-Deacyl, 15-benzoyl C27H30O12 546.173726 NA MeJP NA NA +MJ079495 Phyllamyricoside B C27H30O12 546.173726 NA MeJP NA NA +MJ079496 Steffimycin; 7-Deoxo, O3-de-Me C27H30O12 546.173726 NA MeJP NA NA +PJ004726 CDFY C25H30N4O8S 546.1785 NA PeJP NA NA +MJ079497 Xylotetraose C20H34O17 546.179599 NA MeJP NA NA +PJ004727 SSCNH C19H30N8O9S 546.1857 NA PeJP NA NA +MJ079498 Lehmbachol A C31H30O9 546.188982 NA MeJP NA NA +PJ004728 SPNDD C20H30N6O12 546.1922 NA PeJP NA NA +PJ004729 EMMH C21H34N6O7S2 546.1931 NA PeJP NA NA +PJ004730 SDYY C25H30N4O10 546.1962 NA PeJP NA NA +PJ004731 CMFF C26H34N4O5S2 546.1971 NA PeJP NA NA +PJ004732 GNNNE C19H30N8O11 546.2034 NA PeJP NA NA +PJ004733 GGGGGGGE C19H30N8O11 546.2035 NA PeJP NA NA +PJ004734 GCCKH C20H34N8O6S2 546.2043 NA PeJP NA NA +PJ004735 DEHF C24H30N6O9 546.2075 NA PeJP NA NA +MJ079499 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-Ketone, 9-benzoyl, 1,2,6-tri-Ac C28H34O11 546.210111 NA MeJP NA NA +MJ079500 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-Ketone, 1-benzoyl, 6,9,14-tri-Ac C28H34O11 546.210111 NA MeJP NA NA +MJ079501 3-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Benzyl glycoside, 4,6-O-benzylidene, 2-Ac C28H34O11 546.210111 NA MeJP NA NA +MJ079502 3-Phenyl-2-propen-1-ol, O-[?-L-Rhamnopyranosyl-(1?6)-4-O-benzoyl-?-D-glucopyranoside] C28H34O11 546.210111 NA MeJP NA NA +MJ079503 Dehydrobruceolide; 15-O-(3,4-Dimethyl-2E-pentenoyl) C28H34O11 546.210111 NA MeJP NA NA +PJ004736 GPNEM C21H34N6O9S 546.2108 NA PeJP NA NA +MJ079504 Maysine C28H35ClN2O7 546.213279 NA MeJP NA NA +PJ004737 AMYY C26H34N4O7S 546.2148 NA PeJP NA NA +MJ079505 Apateline; 1,2-Didehydro C34H30N2O5 546.215472 NA MeJP NA NA +MJ079506 Apateline; Me ether, 1,2-didehydro, N2'-de-Me C34H30N2O5 546.215472 NA MeJP NA NA +MJ079507 Cocsoline, 1,2-Didehydro C34H30N2O5 546.215472 NA MeJP NA NA +MJ079508 Farglitazar C34H30N2O5 546.215472 NA MeJP NA NA +PJ004738 NNNW C23H30N8O8 546.2187 NA PeJP NA NA +7871 peptide from soybean protein isolate: b-conglycinin TTYY 546.22 antioxidative Inhouse_peptide NA peptide +MJ079509 3?-Dihydrocadambine C27H34N2O10 546.221345 NA MeJP NA NA +MJ079510 Brachycerine C27H34N2O10 546.221345 NA MeJP NA NA +MJ079511 Isodihydrocadambine C27H34N2O10 546.221345 NA MeJP NA NA +PJ004739 GPCDR C20H34N8O8S 546.2221 NA PeJP NA NA +MJ079512 Gaudispirolactone C32H34O8 546.225368 NA MeJP NA NA +MJ079513 Gossypol, 6,6'-Di-Me ether C32H34O8 546.225368 NA MeJP NA NA +MJ079514 N-[(4-Methylphenyl)sulfonyl]-3-[[[5,6,7,8-tetrahydro-4-oxo-5-[2-(4-piperidinyl)ethyl]-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]carbonyl]amino]alanine C25H34N6O6S 546.226053 NA MeJP NA NA +PJ004740 PNMW C25H34N6O6S 546.2261 NA PeJP NA NA +PJ004741 AAQEE C21H34N6O11 546.2286 NA PeJP NA NA +PJ004742 PPCCK C22H38N6O6S2 546.2294 NA PeJP NA NA +MJ079515 Valerosidatum; 2',3'-Di-Ac C25H38O13 546.231241 NA MeJP NA NA +MJ079516 Valerosidatum; 2',7-Di-Ac C25H38O13 546.231241 NA MeJP NA NA +MJ079517 Valerosidatum; O-Deacyl, O-(2-methylbutanoyl), 2',3'-di-Ac C25H38O13 546.231241 NA MeJP NA NA +MJ079518 Viburnalloside C25H38O13 546.231241 NA MeJP NA NA +PJ004743 TTYY C26H34N4O9 546.2326 NA PeJP NA NA +C12099 Asukamycin C31H34N2O7 546.2366 NA KEGG NA NA +MJ079519 10,11-Dimethoxy-1-methyldeacetylpicraline; Benzoyl C31H34N2O7 546.236601 NA MeJP NA NA +MJ079520 Akuammiline; O-De-Ac, O-(3,4,5-trimethoxybenzoyl) C31H34N2O7 546.236601 NA MeJP NA NA +MJ079521 Asukamycin C31H34N2O7 546.236601 NA MeJP NA NA +MJ079522 Quebrachidine; O-3,4,5-Trimethoxybenzoyl C31H34N2O7 546.236601 NA MeJP NA NA +MJ079523 Vincamajine; N1-De-Me, N1-(3,4,5-trimethoxybenzoyl) C31H34N2O7 546.236601 NA MeJP NA NA +MJ079524 Vincamajine; O-(4-Hydroxy-3,5-dimethoxybenzoyl) C31H34N2O7 546.236601 NA MeJP NA NA +MJ079525 Physagulin B C30H39ClO7 546.238431 NA MeJP NA NA +PJ004744 NEER C20H34N8O10 546.2398 NA PeJP NA NA +PJ004745 VNEW C25H34N6O8 546.2438 NA PeJP NA NA +MJ079526 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2-Benzoyl, 4-Ac C29H38O10 546.246497 NA MeJP NA NA +MJ079527 11,16:15,16-Diepoxy-2,4,6,7,13,18-hexahydroxy-1-clerodanone, 7-Cinnamoyl(E-) C29H38O10 546.246497 NA MeJP NA NA +MJ079528 2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-1,6,19-triol, 1-Tigloyl, 6,19-di-Ac C29H38O10 546.246497 NA MeJP NA NA +MJ079529 2,3,16-Trihydroxy-22,23,24,25,26,27,29-heptanorcucurbita-1,3,5(10),6-tetraene-11,20-dione; 16?-form, 2-O-?-D-Glucopyranoside C29H38O10 546.246497 NA MeJP NA NA +MJ079530 2,3,5,11,14-Pentahydroxy-12-oxobufa-20,22-dienolide, 2-Ac, 3-propanoyl C29H38O10 546.246497 NA MeJP NA NA +MJ079531 Affinoside F; 3'-O-De-Me C29H38O10 546.246497 NA MeJP NA NA +MJ079532 Affinoside R; 3'-O-De-Me C29H38O10 546.246497 NA MeJP NA NA +MJ079533 Amoorastatone; 12?-Hydroxy, 29-Me ether C29H38O10 546.246497 NA MeJP NA NA +MJ079534 Baccharinoid B13 C29H38O10 546.246497 NA MeJP NA NA +MJ079535 Baccharinoid B16 C29H38O10 546.246497 NA MeJP NA NA +MJ079536 Baccharinoid B9 C29H38O10 546.246497 NA MeJP NA NA +MJ079537 Elaeodendroside P C29H38O10 546.246497 NA MeJP NA NA +MJ079538 Elaeodendroside Q C29H38O10 546.246497 NA MeJP NA NA +MJ079539 Gomphoside; 19-Oxo, 4'?-hydroxy, 5,6-didehydro C29H38O10 546.246497 NA MeJP NA NA +MJ079540 Gomphoside; 3'-Epimer, 19-oxo, 15?-hydroxy, 5,6-didehydro C29H38O10 546.246497 NA MeJP NA NA +MJ079541 Gomphoside; 3'-Epimer, 19-oxo, 15?-hydroxy, 7,8-didehydro C29H38O10 546.246497 NA MeJP NA NA +MJ079542 Gomphoside; 3'-Epimer, 19-oxo, 16?-hydroxy, 5,6-didehydro C29H38O10 546.246497 NA MeJP NA NA +MJ079543 Gomphoside; 3'-Epimer, 19-oxo, 17?-hydroxy, 7,8-didehydro C29H38O10 546.246497 NA MeJP NA NA +MJ079544 Roridin D; 3-Hydroxy C29H38O10 546.246497 NA MeJP NA NA +MJ079545 Roridin D; 8?-Hydroxy C29H38O10 546.246497 NA MeJP NA NA +MJ079546 Roridin D; 9?,10?-Epoxide C29H38O10 546.246497 NA MeJP NA NA +MJ079547 Roridin L2; 16-Hydroxy C29H38O10 546.246497 NA MeJP NA NA +PJ004746 GPDKM C22H38N6O8S 546.2472 NA PeJP NA NA +PJ004747 AFFY C30H34N4O6 546.2479 NA PeJP NA NA +PJ004748 GSNNR C19H34N10O9 546.251 NA PeJP NA NA +PJ004749 GGGSNR C19H34N10O9 546.2511 NA PeJP NA NA +PJ004750 GERW C24H34N8O7 546.2551 NA PeJP NA NA +MJ079548 Antibiotic TAN 420; Antibiotic TAN 420A, Quinone C28H38N2O9 546.25773 NA MeJP NA NA +MJ079549 Geldanamycin; O17-De-Me C28H38N2O9 546.25773 NA MeJP NA NA +PJ004751 GSPMR C21H38N8O7S 546.2584 NA PeJP NA NA +8080 synthetic peptide RWW 546.259 inhibitor Inhouse_peptide NA peptide +PJ004752 GVWW C29H34N6O5 546.2591 NA PeJP NA NA +MJ079550 1,2,9-Trihydroxydihydro-?-agarofuran, 9E-Cinnamoyl, 2-benzoyl, 1-Ac C33H38O7 546.261753 NA MeJP NA NA +MJ079551 1,6,9-Trihydroxydihydro-?-agarofuran, 9-Benzoyl, 6-cinnamoyl, 1-Ac C33H38O7 546.261753 NA MeJP NA NA +MJ079552 Gaudichaudione A C33H38O7 546.261753 NA MeJP NA NA +MJ079553 Japoangelol C C33H38O7 546.261753 NA MeJP NA NA +MJ079554 Japoangelol D C33H38O7 546.261753 NA MeJP NA NA +MJ079555 Morellin; (E)-Isomer, 29-alcohol C33H38O7 546.261753 NA MeJP NA NA +MJ079556 Morellin; 29-Alcohol C33H38O7 546.261753 NA MeJP NA NA +PJ004753 LMHF C26H38N6O5S 546.2625 NA PeJP NA NA +3274 NA VTRGD 546.2639 celiac toxic Inhouse_peptide NA peptide +2838 oryzatensin - smooth musles contracting peptide GYPMYPLPR 546.2642 MH2+ Inhouse_peptide NA peptide +2839 oryzatensin GYPMYPLPR 546.2642 MH2+ Inhouse_peptide NA peptide +2840 oryzatensin GYPMYPLPR 546.2642 MH2+ Inhouse_peptide NA peptide +PJ004754 AAKEE C22H38N6O10 546.265 NA PeJP NA NA +MJ079557 1,3,5-Bisabolatriene-2,10,11-triol; 10-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucopyranoside] C26H42O12 546.267626 NA MeJP NA NA +MJ079558 6,7,13,16,17-Pentahydroxy-19-kauranoic acid, 17-O-?-D-Glucopyranoside C26H42O12 546.267626 NA MeJP NA NA +MJ079559 Rishitin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C26H42O12 546.267626 NA MeJP NA NA +PJ004755 RWW C28H34N8O4 546.2703 NA PeJP NA NA +MJ079560 Channaine C32H38N2O6 546.272986 NA MeJP NA NA +PJ004756 DKER C21H38N8O9 546.2762 NA PeJP NA NA +PJ004757 VDKW C26H38N6O7 546.2802 NA PeJP NA NA +MJ079561 12,15,20-Trihydroxy-3,7,11,23-tetraoxolanost-8-en-26-oic acid C30H42O9 546.282882 NA MeJP NA NA +MJ079562 3,12,14-Trihydroxybufa-4,20,22-trienolide, 3-O-?-L-Rhamnopyranoside C30H42O9 546.282882 NA MeJP NA NA +MJ079563 3,14,16-Trihydroxybufa-4,20,22-trienolide, 3-O-?-L-Rhamnopyranoside C30H42O9 546.282882 NA MeJP NA NA +MJ079564 3,14-Dihydroxy-11,12-dioxocard-20(22)-enolide, 3-O-L-Oleandroside C30H42O9 546.282882 NA MeJP NA NA +MJ079565 3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-?-D-Glucopyranoside C30H42O9 546.282882 NA MeJP NA NA +MJ079566 3,5,14-Trihydroxy-19-oxocarda-6,20(22)-dienolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-arabino-hexopyranoside) C30H42O9 546.282882 NA MeJP NA NA +MJ079567 9,12,13,17,20-Pentahydroxy-1,6-tigliadien-3-one, 12,13-Bis(2-methylpropanoyl), 17-Ac C30H42O9 546.282882 NA MeJP NA NA +MJ079568 Affinoside C C30H42O9 546.282882 NA MeJP NA NA +MJ079569 Ingol; O8-Me, 7-angeloyl, 3,12-di-Ac C30H42O9 546.282882 NA MeJP NA NA +MJ079570 Ingol; O8-Me, 7-tigloyl, 3,12-di-Ac C30H42O9 546.282882 NA MeJP NA NA +MJ079571 Pregnane-3,5,6,8,12,14,17,20-octol, 12-Cinnamoyl C30H42O9 546.282882 NA MeJP NA NA +C08860 Decoside C30H42O9 546.2829 NA KEGG NA NA +PJ004758 APTKM C23H42N6O7S 546.2836 NA PeJP NA NA +MJ079572 Cholest-22-ene-3,5,6,15,25,26-hexol, 26-Sulfate C27H46O9S 546.286253 NA MeJP NA NA +PJ004759 SERR C20H38N10O8 546.2874 NA PeJP NA NA +4011 LDT 2, beta-chain ALCSEK 546.289 haemolytic Inhouse_peptide NA peptide +PJ004760 SVRW C25H38N8O6 546.2914 NA PeJP NA NA +PJ004761 PQFR C25H38N8O6 546.2915 NA PeJP NA NA +MJ079573 Macbecin II; O11-De-Me C29H42N2O8 546.294116 NA MeJP NA NA +MJ079574 Macbecin II; O12-De-Me C29H42N2O8 546.294116 NA MeJP NA NA +MJ079575 Macbecin II; O15-De-Me C29H42N2O8 546.294116 NA MeJP NA NA +PJ004762 LQMR C22H42N8O6S 546.2948 NA PeJP NA NA +PJ004763 PTTTK C23H42N6O9 546.3013 NA PeJP NA NA +PJ004764 GTLKE C23H42N6O9 546.3014 NA PeJP NA NA +MJ079576 2-Methyl-1-phenylpropyl [2-[[7-[(aminocarbonyl)amino]heptyl]amino]-1-[(2,3-difluorophenyl)methyl]1-methyl-2-oxoethyl]carbamate C29H40F2N4O4 546.301762 NA MeJP NA NA +PJ004765 CLRR C21H42N10O5S 546.3061 NA PeJP NA NA +PJ004766 GTTLR C22H42N8O8 546.3126 NA PeJP NA NA +MJ079577 Cycloxazoline C27H42N6O6 546.316583 NA MeJP NA NA +C15739 Westiellamide C27H42N6O6 546.3166 NA KEGG NA NA +PJ004767 TLKW C27H42N6O6 546.3166 NA PeJP NA NA +MJ079578 2,3,23-Trihydroxy-11-oxo-12-oleanene-28,30-dioic acid, 30-Me ester C31H46O8 546.319268 NA MeJP NA NA +MJ079579 3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-(2-O-Methyl-D-digitaloside) C31H46O8 546.319268 NA MeJP NA NA +MJ079580 4(20),11-Taxadiene-2,5,10,14-tetrol, 14-(2-Methylbutanoyl), 2,5,10-tri-Ac C31H46O8 546.319268 NA MeJP NA NA +MJ079581 Cochlioquinol C31H46O8 546.319268 NA MeJP NA NA +MJ079582 Isogosterone C C31H46O8 546.319268 NA MeJP NA NA +PJ004768 GVLKM C24H46N6O6S 546.32 NA PeJP NA NA +PJ004769 PKFR C26H42N8O5 546.3278 NA PeJP NA NA +PJ004770 LKMR C23H46N8O5S 546.3312 NA PeJP NA NA +PJ004771 SSLLK C24H46N6O8 546.3377 NA PeJP NA NA +MJ079583 3-O-Mycarosylerythronolide B C28H50O10 546.340397 NA MeJP NA NA +MJ079584 3-O-(?-L-Mycarosyl)-8-hydroxyerythronolide B; 8-Deoxy C28H50O10 546.340397 NA MeJP NA NA +MJ079585 3-O-(?-L-Mycarosyl)-8-hydroxyerythronolide B; 8-Epimer, 8-deoxy C28H50O10 546.340397 NA MeJP NA NA +C06630 3-O-Mycarosylerythronolide B C28H50O10 546.3404 NA KEGG NA NA +MJ079586 Glidobactin B C29H46N4O6 546.341735 NA MeJP NA NA +MJ079587 Buxidienine I; 30-Aldehyde, N20-Me, N3-benzoyl, O16-Ac C34H46N2O4 546.345757 NA MeJP NA NA +MJ079588 Idiospermuline C35H42N6 546.347095 NA MeJP NA NA +PJ004772 GSKKK C23H46N8O7 546.349 NA PeJP NA NA +MJ079589 3,14,21,30-Tetrahydroxy-12-pachanen-28-oic acid, 21-Ac C32H50O7 546.355653 NA MeJP NA NA +MJ079590 Heracleifolinol C32H50O7 546.355653 NA MeJP NA NA +MJ079591 Hippuristanol; 22-Epimer, 3,11-di-Ac C32H50O7 546.355653 NA MeJP NA NA +MJ079592 Hovenidulcigenin A; 24,25?-Dihydro C32H50O7 546.355653 NA MeJP NA NA +MJ079593 3,11-Dihydroxystigmasta-7,20-dien-6-one, 3-Benzoyl C36H50O4 546.37091 NA MeJP NA NA +MJ079594 Glycerol 2-alkanoates; Glycerol 2-(9Z-eicosenoate), 1-O-?-D-Glucopyranoside C29H54O9 546.376783 NA MeJP NA NA +MJ079595 Buxanoldine; 31-Deoxy, O16-Ac C35H50N2O3 546.382143 NA MeJP NA NA +MJ079596 Buxodienine I; N20,N20-Di-Me, N3-benzoyl, O-Ac C35H50N2O3 546.382143 NA MeJP NA NA +MJ079597 Buxodienine I; N3,N3-Di-Me, N20-benzoyl, O-Ac C35H50N2O3 546.382143 NA MeJP NA NA +MJ079598 3',4',7,7',8,8'-Hexadehydro-?,?-caroten-3-ol C40H50O 546.386166 NA MeJP NA NA +MJ079599 Tedaniaxanthin C40H50O 546.386166 NA MeJP NA NA +MJ079600 3,11,15,29-Tetrahydroxystigmast-5-en-7-one, 3-(2-Methylpropanoyl) C33H54O6 546.392039 NA MeJP NA NA +MJ079601 Ergosta-7,22-diene-3,5-diol, 3-O-?-D-Xylopyranoside C33H54O6 546.392039 NA MeJP NA NA +MJ079602 Phellochrysein C33H54O6 546.392039 NA MeJP NA NA +HMDB06816 3-hexaprenyl-4-hydroxybenzoic acid C37H54O3 546.407288 NA HMDB2010 NA NA +HMDB06818 2-Hexaprenyl-6-methoxy-1,4-benzoquinone C37H54O3 546.407288 NA HMDB2010 NA NA +HMDB06816 3-hexaprenyl-4-hydroxybenzoate C37H54O3 546.40729 http://www.hmdb.ca/metabolites/HMDB06816 HMDB NA NA +HMDB06818 2-Hexaprenyl-6-methoxy-1,4-benzoquinone C37H54O3 546.40729 http://www.hmdb.ca/metabolites/HMDB06818 HMDB NA NA +HMDB06816 3-hexaprenyl-4-hydroxybenzoate C37H54O3 546.40729 HMDB06816 PFEM_hmdb_metabocards_official NA NA +HMDB06818 2-Hexaprenyl-6-methoxy-1,4-benzoquinone C37H54O3 546.40729 HMDB06818 PFEM_hmdb_metabocards_official NA NA +MJ079603 Ergost-5-en-3-ol, 4-Hydroxycinnamoyl C37H54O3 546.407295 NA MeJP NA NA +C05803 2-Hexaprenyl-6-methoxy-1,4-benzoquinone C37H54O3 546.4073 NA KEGG NA NA +C13425 3-Hexaprenyl-4-hydroxybenzoate C37H54O3 546.4073 NA KEGG NA NA +MJ079604 24,26-Dimethylcholest-5-en-3-ol, 3-O-?-D-Xylopyranoside C34H58O5 546.428424 NA MeJP NA NA +MJ079605 Dammar-22-ene-3,20,24,25-tetrol, 20,24-Di-Me ether, 3-Ac C34H58O5 546.428424 NA MeJP NA NA +MJ079606 Stigmast-5-en-3-ol, O-?-D-Xylopyranoside C34H58O5 546.428424 NA MeJP NA NA +MJ079607 2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 1-O-hexacosanoyl C35H62O4 546.46481 NA MeJP NA NA +MJ079608 29-(2,3,4,5-Tetrahydroxypentyl)hopane C35H62O4 546.46481 NA MeJP NA NA +MJ079609 AML 1 C35H62O4 546.46481 NA MeJP NA NA +MJ079610 Coriacycloenin C35H62O4 546.46481 NA MeJP NA NA +MJ079611 Diepomuricanin B C35H62O4 546.46481 NA MeJP NA NA +MJ079612 Diepoxymontin C35H62O4 546.46481 NA MeJP NA NA +MJ079613 Epoxymurin A; 19,20-Epoxide C35H62O4 546.46481 NA MeJP NA NA +MJ079614 1,2,7,7',8,8',11,11',12,12'-Decahydrolycopene C40H66 546.516452 NA MeJP NA NA +MJ079615 7'(6'?5')-Abeo-?,?-carotane C40H66 546.516452 NA MeJP NA NA +MJ079616 Cefazedone C18H15Cl2N5O5S3 546.961236 NA MeJP NA NA +MJ079617 Turbotoxin A C17H30I2N2O2(+) 547.03184 NA MeJP NA NA +MJ079618 Tris(8-quinolinolato-N1,O8)indium(III) C27H18InN3O3 547.038694 NA MeJP NA NA +C01219 CDP-4-dehydro-6-deoxy-D-glucose C15H23N3O15P2 547.0604 NA KEGG NA NA +MJ079619 CDP-4-dehydro-6-deoxy-D-glucose C15H23N3O15P2 547.06044 NA MeJP NA NA +MetaCyc03834 CDP-4-dehydro-6-deoxy-D-glucose [] C15H23N3O15P2 547.06044 NA metacyc NA NA +C14817 BMS 379224 C23H20F2N5O5PS 547.0891 NA KEGG NA NA +C13089 Cefetamet pivoxil hydrochloride C20H25N5O7S2 547.0962 NA KEGG NA NA +C13090 Transferred to D01630 C20H25N5O7S2 547.0962 NA KEGG NA NA +C13091 Transferred to D01631 C20H25N5O7S2 547.0962 NA KEGG NA NA +C13092 Transferred to D01632 C20H25N5O7S2 547.0962 NA KEGG NA NA +C13093 Transferred to D01633 C20H25N5O7S2 547.0962 NA KEGG NA NA +C13094 Transferred to D01634 C20H25N5O7S2 547.0962 NA KEGG NA NA +C13095 Transferred to D01635 C20H25N5O7S2 547.0962 NA KEGG NA NA +C13096 Transferred to D01636 C20H25N5O7S2 547.0962 NA KEGG NA NA +C13097 Transferred to D01637 C20H25N5O7S2 547.0962 NA KEGG NA NA +C13098 Transferred to D01638 C20H25N5O7S2 547.0962 NA KEGG NA NA +C13099 Transferred to D01639 C20H25N5O7S2 547.0962 NA KEGG NA NA +C13100 Transferred to D01640 C20H25N5O7S2 547.0962 NA KEGG NA NA +MJ079620 Aleurinin B C24H21NO14 547.096204 NA MeJP NA NA +C04268 dTDP-4-amino-4,6-dideoxy-D-glucose C16H27N3O14P2 547.0968 NA KEGG NA NA +C04346 dTDP-4-amino-4,6-dideoxy-D-galactose C16H27N3O14P2 547.0968 NA KEGG NA NA +C04347 (+)-2,3-Dienoyl fatty acyl thioesters C4H3OSR 547.0968 NA KEGG NA NA +C11925 dTDP-3-amino-3,6-dideoxy-D-glucose C16H27N3O14P2 547.0968 NA KEGG NA NA +C17087 dTDP-(3R)-amino-3,6-dideoxy-D-glucose C16H27N3O14P2 547.0968 NA KEGG NA NA +MetaCyc03835 dTDP-D-fucosamine [TDP-fucosamine;TDP-FucN;TDP-D-fucosamine;] C16H27N3O14P2 547.096826 NA metacyc NA NA +MetaCyc03836 dTDP-4-amino-4,6-dideoxy-D-glucose [] C16H27N3O14P2 547.096826 157296-99-6 metacyc NA NA +MJ079621 Tris[1,2-ethanediylbis[dimethylphosphine]-P,P']technetium(1+) C18H48P6Tc(+) 547.117561 NA MeJP NA NA +C12479 Coumermic acid C27H21N3O10 547.1227 NA KEGG NA NA +PJ004773 GCCCY C20H29N5O7S3 547.1229 NA PeJP NA NA +PJ004774 GCCEH C19H29N7O8S2 547.1519 NA PeJP NA NA +MJ079622 2,3-Dihydro-3,5-dihydroxy-2-oxo-1H-indole-3-acetic acid, 5-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C22H29NO15 547.153719 NA MeJP NA NA +MJ079623 2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid, 5-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C22H29NO15 547.153719 NA MeJP NA NA +PJ004775 CCHW C23H29N7O5S2 547.1672 NA PeJP NA NA +PJ004776 SSCDH C19H29N7O10S 547.1697 NA PeJP NA NA +PJ004777 SPDDD C20H29N5O13 547.1762 NA PeJP NA NA +PJ004778 PPCCE C21H33N5O8S2 547.1771 NA PeJP NA NA +MJ079624 Acrignine A C30H29NO9 547.184231 NA MeJP NA NA +PJ004779 GNNDE C19H29N7O12 547.1874 NA PeJP NA NA +PJ004780 GGGNDE C19H29N7O12 547.1875 NA PeJP NA NA +PJ004781 GTCMH C20H33N7O7S2 547.1883 NA PeJP NA NA +PJ004782 GPDEM C21H33N5O10S 547.1948 NA PeJP NA NA +MJ079625 Antibiotic K 13 C29H29N3O8 547.195464 NA MeJP NA NA +PJ004783 NNDW C23H29N7O9 547.2027 NA PeJP NA NA +MJ079626 3-Demethylcolchicine; O-?-D-Glucopyranoside C27H33NO11 547.20536 NA MeJP NA NA +C17963 Colchicoside C27H33NO11 547.2054 NA KEGG NA NA +PJ004784 SSSMH C20H33N7O9S 547.2061 NA PeJP NA NA +PJ004785 PDMW C25H33N5O7S 547.2101 NA PeJP NA NA +PJ004786 AAEEE C21H33N5O12 547.2126 NA PeJP NA NA +PJ004787 PPTCM C22H37N5O7S2 547.2135 NA PeJP NA NA +MJ079627 Rocaglatic acid; 1-Ac, dimethylamide C31H33NO8 547.220617 NA MeJP NA NA +MJ079628 Rocaglatic acid; Tetrahydro-2-furanamide(R-) C31H33NO8 547.220617 NA MeJP NA NA +MJ079629 Rocaglatic acid; Tetrahydro-2-furanamide(S-) C31H33NO8 547.220617 NA MeJP NA NA +2743 activating kinases and phosphatases peptide EPFYVNDPD 547.22085 MH2+ Inhouse_peptide NA peptide +PJ004788 NMHF C24H33N7O6S 547.2213 NA PeJP NA NA +PJ004789 DEER C20H33N7O11 547.2238 NA PeJP NA NA +PJ004790 VDEW C25H33N5O9 547.2279 NA PeJP NA NA +PJ004791 APTEM C22H37N5O9S 547.2312 NA PeJP NA NA +PJ004792 GSNDR C19H33N9O10 547.2351 NA PeJP NA NA +PJ004793 SQQW C24H33N7O8 547.2391 NA PeJP NA NA +MJ079630 Isoharringtonine; 3''-Hydroxy C28H37NO10 547.241746 NA MeJP NA NA +MJ079631 Isoharringtonine; 3'-Epimer, 3''-hydroxy C28H37NO10 547.241746 NA MeJP NA NA +PJ004794 AAQQM C21H37N7O8S 547.2425 NA PeJP NA NA +PJ004795 GPPMF C26H37N5O6S 547.2465 NA PeJP NA NA +PJ004796 GTLEE C22H37N5O11 547.249 NA PeJP NA NA +PJ004797 PVVCM C23H41N5O6S2 547.2498 NA PeJP NA NA +PJ004798 GPLMM C23H41N5O6S2 547.2499 NA PeJP NA NA +PJ004799 GPTHH C23H33N9O7 547.2503 NA PeJP NA NA +3376 NA DFVAP 547.2519 celiac toxic Inhouse_peptide NA peptide +PJ004800 NQMR C20H37N9O7S 547.2537 NA PeJP NA NA +MJ079632 Cytochalasin L C32H37NO7 547.257002 NA MeJP NA NA +PJ004801 GSQKE C21H37N7O10 547.2602 NA PeJP NA NA +MJ079633 Testiphenone C31H43Cl2NO3 547.261999 NA MeJP NA NA +PJ004802 TLEW C26H37N5O8 547.2642 NA PeJP NA NA +MJ079634 Plicacetin; 3'?-Hydroxy, 4''-N-Me C26H37N5O8 547.264213 NA MeJP NA NA +PJ004803 CNRR C19H37N11O6S 547.2649 NA PeJP NA NA +8189 peptide from buckwheat VFPW 547.267 Dipeptides ;SYN:Beta-Alanyl-L-histidine; Carnosine; Ignotine; Karnozin; Karnozzn; L-Carnosine; N-(3-Aminopropanoyl)histidine; N-(b-Alanyl)-L-histidine; N-b-alanyl-L-Histidine; N-beta-alanyl-L-Histidine; b-Alanyl-L-histidine; b-Alanylhistidine; beta-Alanylhistidine; SevitinH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +EUR915 Lyso PE 22:6 [M+Na]+ C27H44NO7P 547.267488 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR915 Lyso PE 22:6 [M+Na]+ C27H44NO7P 547.267488 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR915 Lyso PE 22:6 [M+Na]+ C27H44NO7P 547.267488 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR915 Lyso PE 22:6 [M+Na]+ C27H44NO7P 547.267488 masses lipides attendues Inhousejuil11 NA NA +PJ004804 GVLEM C23H41N5O8S 547.2676 NA PeJP NA NA +PJ004805 GSTQR C20H37N9O9 547.2714 NA PeJP NA NA +PJ004806 GGGTTR C20H37N9O9 547.2715 NA PeJP NA NA +PJ004807 SQKW C25H37N7O7 547.2755 NA PeJP NA NA +PJ004808 LEMR C22H41N7O7S 547.2788 NA PeJP NA NA +PJ004809 GGGVKM C22H41N7O7S 547.2789 NA PeJP NA NA +MJ079635 Avellanin B C30H37N5O5 547.279469 NA MeJP NA NA +MJ079636 Ergobutyrine C30H37N5O5 547.279469 NA MeJP NA NA +MJ079637 Ergonine C30H37N5O5 547.279469 NA MeJP NA NA +MJ079638 Ergosine C30H37N5O5 547.279469 NA MeJP NA NA +C09167 Ergosine C30H37N5O5 547.2795 NA KEGG NA NA +PJ004810 PVFW C30H37N5O5 547.2795 NA PeJP NA NA +PJ004811 VLMW C27H41N5O5S 547.2829 NA PeJP NA NA +PJ004812 SSLLE C23H41N5O10 547.2854 NA PeJP NA NA +PJ004813 AALHH C24H37N9O6 547.2867 NA PeJP NA NA +MJ079639 Detoxin D1 C28H41N3O8 547.289365 NA MeJP NA NA +PJ004814 NKMR C21H41N9O6S 547.2901 NA PeJP NA NA +EUR882 Lyso PE 20:4 [M+FA-H]- C25H44NO7P 547.290422 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR882 Lyso PE 20:4 [M+FA-H]- C25H44NO7P 547.290422 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR882 Lyso PE 20:4 [M+FA-H]- C25H44NO7P 547.290422 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR882 Lyso PE 20:4 [M+FA-H]- C25H44NO7P 547.290422 masses lipides attendues Inhousejuil11 NA NA +2710 erythromycin inhibitor MTIAI 547.2924 NA Inhouse_peptide NA peptide +PJ004815 GSKKE C22H41N7O9 547.2966 NA PeJP NA NA +PJ004816 VHHR C23H37N11O5 547.2979 NA PeJP NA NA +3540 ACE inhibitor IYPR 547.3 ACE inhibitor Inhouse_peptide NA peptide +PJ004817 GPVLY C27H41N5O7 547.3006 NA PeJP NA NA +PJ004818 ATLLM C24H45N5O7S 547.304 NA PeJP NA NA +MJ079640 Roehybridine; 7a,10-Diepimer, Me ether C32H41N3O5 547.304621 NA MeJP NA NA +MJ079641 Roehybridine; Me ether C32H41N3O5 547.304621 NA MeJP NA NA +PJ004819 GSTKR C21H41N9O8 547.3078 NA PeJP NA NA +PJ004820 SKKW C26H41N7O6 547.3118 NA PeJP NA NA +PJ004821 PLRY C26H41N7O6 547.3119 NA PeJP NA NA +MJ079642 7-Demethylpiericidin A1; 4'-O-?-L-Rhamnopyranoside C30H45NO8 547.314517 NA MeJP NA NA +PJ004822 AAKKM C23H45N7O6S 547.3152 NA PeJP NA NA +PJ004823 TTTLL C24H45N5O9 547.3217 NA PeJP NA NA +MJ079643 Petuniasterone C; 22-(3-Pyridinecarbonyl) C34H45NO5 547.329773 NA MeJP NA NA +PJ004824 ATTKK C23H45N7O8 547.333 NA PeJP NA NA +MJ079644 AAL Toxin; AAL Toxin TA1, 5-Deoxy, N-Ac C27H49NO10 547.335646 NA MeJP NA NA +MJ079645 AAL Toxin; AAL Toxin TA2, 5-Deoxy, N-Ac C27H49NO10 547.335646 NA MeJP NA NA +PJ004825 GVLLF C28H45N5O6 547.337 NA PeJP NA NA +MJ079646 Trimethidinium(2+) C17H36N22(+) 547.341504 NA MeJP NA NA +PJ004826 LLFR C27H45N7O5 547.3482 NA PeJP NA NA +HMDB10392 LysoPC(20:2(11Z,14Z)) C28H54NO7P 547.36377 NA HMDB2010 NA NA +EUR593 LysoPC(20:2) NA 547.363775 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR593 LysoPC(20:2) [M+H]+ 547.363775 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR593 LysoPC(20:2) NA 547.363775 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR593 LysoPC(20:2) [M+H]+ 547.363775 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR593 LysoPC(20:2) NA 547.363775 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR593 LysoPC(20:2) [M+H]+ 547.363775 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR593 LysoPC(20:2) NA 547.363775 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR593 LysoPC(20:2) NA 547.363775 identifiés dans sérum NuGO HMDB NA NA +EUR593 LysoPC(20:2) NA 547.363775 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR593 LysoPC(20:2) [M+H]+ 547.363775 identifies dans serum NuGO Inhousejuil11 NA NA +EUR593 LysoPC(20:2) NA 547.363775 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR593 LysoPC(20:2) NA 547.363775 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR754 Lyso PC 20:2 monoisotopic mass C28H54NO7P 547.363792 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR754 Lyso PC 20:2 monoisotopic mass C28H54NO7P 547.363792 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR754 Lyso PC 20:2 monoisotopic mass C28H54NO7P 547.363792 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR754 Lyso PC 20:2 monoisotopic mass C28H54NO7P 547.363792 masses lipides attendues Inhousejuil11 NA NA +MJ079647 Pyrinodemin B; Lower homologue (n = 7) C36H57N3O 547.450163 NA MeJP NA NA +MJ079648 Rubrolide E; 3',3'',5''-Tribromo, 2-chloro C17H8Br3ClO4 547.766124 NA MeJP NA NA +HMDB06811 1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate C11H19O19P3 547.97333 http://www.hmdb.ca/metabolites/HMDB06811 HMDB NA NA +HMDB06811 1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate C11H19O19P3 547.97333 HMDB06811 PFEM_hmdb_metabocards_official NA NA +HMDB12300 UDP-4-dehydro-6-deoxy-D-glucose C15H22N2O16P2 548.044434 NA HMDB2010 NA NA +MJ079649 UDP-4-dehydro-6-deoxy-D-glucose C15H22N2O16P2 548.044455 NA MeJP NA NA +MetaCyc03837 UDP-4-dehydro-6-deoxy-D-glucose [UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;] C15H22N2O16P2 548.044456 NA metacyc NA NA +C04089 UDP-4-dehydro-6-deoxy-D-glucose C15H22N2O16P2 548.0445 NA KEGG NA NA +C04090 Ubiquitin C-terminal thiolester C15H22N2O16P2 548.0445 NA KEGG NA NA +C17328 UDP-4-keto-rhamnose C15H22N2O16P2 548.0445 NA KEGG NA NA +MJ079650 Glutathionarsenoxide C18H25AsN4O9S 548.05582 NA MeJP NA NA +C03187 dTDP-6-deoxy-L-talose C16H26N2O15P2 548.0808 NA KEGG NA NA +C03188 omega-Carboxyacyl-CoA C23H36N7O19P3S 548.0808 NA KEGG NA NA +C03319 dTDP-6-deoxy-L-mannose C16H26N2O15P2 548.0808 NA KEGG NA NA +C03323 (2,1-beta-D-Fructosyl)n C6H12O6 548.0808 NA KEGG NA NA +C03442 dTDP-L-dihydrostreptose C16H26N2O15P2 548.0808 NA KEGG NA NA +C07277 dTDP-D-fucose C16H26N2O15P2 548.0808 NA KEGG NA NA +C11912 dTDP-6-deoxy-D-allose C16H26N2O15P2 548.0808 NA KEGG NA NA +HMDB06354 Deoxythymidine diphosphate-l-rhamnose C16H26N2O15P2 548.08081 http://www.hmdb.ca/metabolites/HMDB06354 HMDB NA NA +HMDB06354 Deoxythymidine diphosphate-l-rhamnose C16H26N2O15P2 548.08081 HMDB06354 PFEM_hmdb_metabocards_official NA NA +HMDB06354 Deoxythymidine diphosphate-l-rhamnose C16H26N2O15P2 548.080811 NA HMDB2010 NA NA +MJ079651 dTDP-6-deoxy-L-mannose C16H26N2O15P2 548.080841 NA MeJP NA NA +MJ079652 dTDP-6-deoxy-L-talose C16H26N2O15P2 548.080841 NA MeJP NA NA +MJ079653 dTDP-L-dihydrostreptose C16H26N2O15P2 548.080841 NA MeJP NA NA +MetaCyc03838 dTDP-D-fucose [] C16H26N2O15P2 548.080841 NA metacyc NA NA +MetaCyc03839 dTDP-6-deoxy-L-talose [] C16H26N2O15P2 548.080841 NA metacyc NA NA +MetaCyc03840 dTDP-α-L-rhamnose [dTDP-6-deoxy-L-mannose;dTDP-L-rhamnose;dTDP-rhamnose;] C16H26N2O15P2 548.080841 572-96-3 metacyc NA NA +MJ079654 Aurantioemestrin C27H20N2O9S 548.08895 NA MeJP NA NA +MJ079655 Ustilaginoidin C; 2,3-Dihydro C28H20O12 548.095476 NA MeJP NA NA +FL3FADGS0019 Luteolin 3'-methyl ether 7-malonylglucoside C25H24O14 548.1166 - knapsack NA NA +FL3FAEGS0008 Luteolin 4'-methyl ether 7-(6''-malonylglucoside) C25H24O14 548.1166 98767-39-6 knapsack NA NA +FL5FAAGS0058 Kaempferol 7-(6''-p-succinylglucoside) C25H24O14 548.1166 72947-91-2 knapsack NA NA +FL5FACGA0034 Quercetin 3-(3'',6''-diacetylgalactoside) C25H24O14 548.1166 146018-88-4 knapsack NA NA +FL5FAGGS0034 Myricetin 3-(3'',4''-diacetylrhamnoside);3-[(3,4-Di-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C25H24O14 548.1166 184533-13-9 knapsack NA NA +FLIAAEGS0002 Pratensein 7-O-(6''-malonylglucoside) C25H24O14 548.1166 92632-65-0 knapsack NA NA +MJ079656 3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) C25H24O14 548.116605 NA MeJP NA NA +MJ079657 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-(3,4-Di-O-acetyl-?-L-rhamnopyranoside) C25H24O14 548.116605 NA MeJP NA NA +MJ079658 3,4',5,7,8-Pentahydroxyflavone; 8-O-(Di-O-acetyl-?-D-glucofuranoside) C25H24O14 548.116605 NA MeJP NA NA +MJ079659 3,4',5,7,8-Pentahydroxyflavone; 8-O-(Di-O-acetyl-?-D-glucopyranoside) C25H24O14 548.116605 NA MeJP NA NA +MJ079660 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-(Malonyl-?-D-glucopyranoside) C25H24O14 548.116605 NA MeJP NA NA +MJ079661 4-Hydroxy-1,2,9,10-anthracenetetrone; 4-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C25H24O14 548.116605 NA MeJP NA NA +MJ079662 Hyperin; 3'',6''-Di-Ac C25H24O14 548.116605 NA MeJP NA NA +MJ079663 Isoquercitrin; 3',4'-Di-Ac C25H24O14 548.116605 NA MeJP NA NA +MJ079664 Isoquercitrin; Di-O''-Ac C25H24O14 548.116605 NA MeJP NA NA +MJ079665 Populnin; 6''-O-Succinoyl C25H24O14 548.116605 NA MeJP NA NA +MJ079666 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(6-O-Succinoyl-?-D-glucopyranoside) C25H25O14(+) 548.116605 NA MeJP NA NA +MJ079667 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[2-Hydroxysuccinoyl-(?6)-?-D-glucopyranoside] C25H25O14(+) 548.116605 NA MeJP NA NA +MJ079668 Betanidin; 14,15-Didehydro, 5-O-?-D-glucopyranoside C24H24N2O13 548.127838 NA MeJP NA NA +MJ079669 Clecarmycin C; 8-Ketone C29H24O11 548.131861 NA MeJP NA NA +MJ079670 4',5,7-Trihydroxyflavylium(1+); 5-O-[3,4-Dihydroxycinnamoyl-(?5)?-L-arabinofuranoside] C29H25O11(+) 548.131861 NA MeJP NA NA +MJ079671 1,2-Dihydroxyanthraquinone; 1-Me ether, 2-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C26H28O13 548.15299 NA MeJP NA NA +MJ079672 1,3-Dihydroxy-2-methylanthraquinone; 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C26H28O13 548.15299 NA MeJP NA NA +MJ079673 1,6-Dihydroxy-2-methylanthraquinone; 6-O-?-Primeveroside C26H28O13 548.15299 NA MeJP NA NA +MJ079674 1,8-Dihydroxy-3-methylanthraquinone; 8-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C26H28O13 548.15299 NA MeJP NA NA +MJ079675 2',3,4,4',5,5'-Hexahydroxylignan-9,9'-olide, 3,4:4',5'-Bis(methylene) ether, 2'-O-?-D-glucopyranoside C26H28O13 548.15299 NA MeJP NA NA +MJ079676 3,4',5,7-Tetrahydroxyflavanone, 7-O-[4-Hydroxy-2-methylenebutanoyl-(?6)-?-D-glucopyranoside] C26H28O13 548.15299 NA MeJP NA NA +MJ079677 3,4',7-Trihydroxyflavone; 3-O-D-Apio-?-D-furanoside, 7-O-?-L-rhamnopyranoside C26H28O13 548.15299 NA MeJP NA NA +MJ079678 4',7-Dihydroxyflavone; 7-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C26H28O13 548.15299 NA MeJP NA NA +MJ079679 4',7-Dihydroxyisoflavone; 7-O-?-D-Glucopyranoside, 4'-apioside C26H28O13 548.15299 NA MeJP NA NA +MJ079680 4',7-Dihydroxyisoflavone; 7-O-[Apiosyl-(1?6)-?-D-glucopyranoside] C26H28O13 548.15299 NA MeJP NA NA +MJ079681 6,8-Diarabinopyranosyl-4',5,7-trihydroxyflavone; 7-Me ether C26H28O13 548.15299 NA MeJP NA NA +MJ079682 6-Arabinopyranosyl-8-glucopyranosyl-5,7-dihydroxyflavone C26H28O13 548.15299 NA MeJP NA NA +MJ079683 8-Arabinopyranosyl-6-glucopyranosyl-5,7-dihydroxyflavone C26H28O13 548.15299 NA MeJP NA NA +MJ079684 Cerarvensin; 2''-O-?-L-Rhamnopyranoside C26H28O13 548.15299 NA MeJP NA NA +MJ079685 Cleomiscosin B; 6-Demethoxy, 5''-methoxy, 4''-O-?-D-glucopyranoside C26H28O13 548.15299 NA MeJP NA NA +MJ079686 Gummadiol; 9'-Epimer, 9-O-?-D-glucopyranoside C26H28O13 548.15299 NA MeJP NA NA +MJ079687 Mollupentin; 2''-O-?-L-Rhamnopyranoside C26H28O13 548.15299 NA MeJP NA NA +MJ079688 Mollupentin; 7-Me ether, 2''-O-D-xyloside C26H28O13 548.15299 NA MeJP NA NA +MJ079689 Puerarin; 6''-O-?-D-Apioside C26H28O13 548.15299 NA MeJP NA NA +MJ079690 Puerarin; 6''-O-?-D-Xylopyranoside C26H28O13 548.15299 NA MeJP NA NA +MJ079691 Puerarin; 6''-O-D-Apio-?-D-furanoside C26H28O13 548.15299 NA MeJP NA NA +MJ079692 Puerarin; O-Xyloside C26H28O13 548.15299 NA MeJP NA NA +MJ079693 Trilobatin B C26H28O13 548.15299 NA MeJP NA NA +FL3FA9CS0001 Chrysin 6-C-glucoside-8-C-alpha-L-arabinopyranoside C26H28O13 548.15299 81091-21-6 knapsack NA NA +FL3FA9CS0002 Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside C26H28O13 548.15299 81091-22-7 knapsack NA NA +FL3FAACS0042 Mollupentin 2''-O-rhamnoside C26H28O13 548.15299 146177-28-8 knapsack NA NA +FL3FAACS0054 Cerarvensin 2''-O-rhamnoside C26H28O13 548.15299 33569-09-4 knapsack NA NA +FL3FAACS0076 Hemsleyanoside;Isomollupentin 4''-O-rhamnoside C26H28O13 548.15299 466645-85-2 knapsack NA NA +FL3FAACS0079 Isohemsleyanoside;8-[4-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C26H28O13 548.15299 466645-91-0 knapsack NA NA +FL3FCACS0007 Almeidein C26H28O13 548.15299 70521-81-2 knapsack NA NA +FL3FCACS0008 Molludistin 2''-O-xyloside C26H28O13 548.15299 101843-07-6 knapsack NA NA +FL4DAAGS0012 (2R,3R)-3,5,7,4'-Tetrahydroxyflavanone 7-(6-[4-Hydroxy-2-methylenebutanoyl]glucoside) C26H28O13 548.15299 348087-79-6 knapsack NA NA +FLIA1ACS0004 Mirificin C26H28O13 548.15299 103654-50-8 knapsack NA NA +FLIA1ACS0005 Pueraria glycoside 2;Puerarin 6''-O-xyloside C26H28O13 548.15299 114240-18-5 knapsack NA NA +FLIA1AGS0009 Daidzein 7-O-glucoside-4'-O-apioside C26H28O13 548.15299 108069-01-8 knapsack NA NA +FLIA1AGS0010 Daidzein 7-O-apiosyl-(1->6)-glucoside;Ambonin C26H28O13 548.15299 108044-04-8 knapsack NA NA +C17057 Puerarin xyloside C26H28O13 548.153 NA KEGG NA NA +FL1CACNP0001 3,4-Dihydroxyrottlerin C30H28O10 548.16824 24650-82-6 knapsack NA NA +MJ079694 Elsinochrome C1 C30H28O10 548.168247 NA MeJP NA NA +MJ079695 Hypomycin A C30H28O10 548.168247 NA MeJP NA NA +MJ079696 Pannellin; 1-Ac C30H28O10 548.168247 NA MeJP NA NA +MJ079697 Rocaglatic acid; 4'-Demethoxy, 3',4'-methylenedioxy, 1-Ac, Me ester C30H28O10 548.168247 NA MeJP NA NA +MJ079698 Rottlerin; 3,4-Dihydroxy C30H28O10 548.168247 NA MeJP NA NA +PJ004827 GNDDE C19H28N6O13 548.1715 NA PeJP NA NA +MJ079699 [1-[[2-Methoxy-4-[[(phenylsulfonyl)amino]carbonyl]phenyl]methyl]-1H-indazol-6-yl]carbamic acid; Cyclopentyl ester C28H28N4O6S 548.172955 NA MeJP NA NA +MJ079700 2,4,6-Trihydroxy-7-methyl-3(2H)-benzofuranone, 2,6-Di-Me ether, 4-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C23H32O15 548.17412 NA MeJP NA NA +MJ079701 2-O-?-L-Rhamnopyranosyl-L-arabinose; ?-Pyranose-form, Hexa-Ac C23H32O15 548.17412 NA MeJP NA NA +MJ079702 Sucrose; 3'-O-(4-Hydroxy-3,5-dimethoxy-E-cinnamoyl) C23H32O15 548.17412 NA MeJP NA NA +MJ079703 Sucrose; 6-O-(4-Hydroxy-3,5-dimethoxycinnamoyl) C23H32O15 548.17412 NA MeJP NA NA +MJ079704 ?-[[[1-(7-Chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl]carbonyl]amino]cyclohexaneacetic acid C29H29ClN4O5 548.182647 NA MeJP NA NA +PJ004828 NDDW C23H28N6O10 548.1867 NA PeJP NA NA +FL1AUNGS0002 Ambofuracin C27H32O12 548.18937 82358-50-7 knapsack NA NA +MJ079705 3',4',5,7-Tetrahydroxy-6-methoxyflavone; 7-O-[2-Methylbutyl-(?6)-?-D-glucopyranoside] C27H32O12 548.189376 NA MeJP NA NA +MJ079706 3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3',4'-Methylene 3,4-di-Me ether, 5-O-?-D-glucopyranoside C27H32O12 548.189376 NA MeJP NA NA +MJ079707 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,5',9,9'-hexol, 9-Aldehyde, 3',5,5'-tri-Me ether, 9'-O-?-D-glucopyranoside C27H32O12 548.189376 NA MeJP NA NA +MJ079708 Striatoside A; 5''-Me ether C27H32O12 548.189376 NA MeJP NA NA +C15579 Flavanone 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside] C27H32O12 548.1894 NA KEGG NA NA +PJ004829 SPCNE C20H32N6O10S 548.1901 NA PeJP NA NA +PJ004830 MMMH C21H36N6O5S3 548.191 NA PeJP NA NA +PJ004831 TCYY C25H32N4O8S 548.1941 NA PeJP NA NA +PJ004832 GNNNM C19H32N8O9S 548.2013 NA PeJP NA NA +PJ004833 GSPCW C24H32N6O7S 548.2053 NA PeJP NA NA +PJ004834 GSQEE C20H32N6O12 548.2078 NA PeJP NA NA +PJ004835 GGGTEE C20H32N6O12 548.2079 NA PeJP NA NA +PJ004836 GPNMM C21H36N6O7S2 548.2087 NA PeJP NA NA +PJ004837 GSDDR C19H32N8O11 548.2191 NA PeJP NA NA +PJ004838 APCCR C20H36N8O6S2 548.22 NA PeJP NA NA +PJ004839 SQEW C24H32N6O9 548.2231 NA PeJP NA NA +FL6DDAGI0001 3,7-Dihydroxy-4,5-dimethoxy-8-prenylflavan 7-O-beta-D-glucopyranoside C28H36O11 548.22576 118555-86-5 knapsack NA NA +MJ079709 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6-tri-Ac C28H36O11 548.225761 NA MeJP NA NA +MJ079710 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1-Benzoyl, 6,9,14-tri-Ac C28H36O11 548.225761 NA MeJP NA NA +MJ079711 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6,14-tri-Ac C28H36O11 548.225761 NA MeJP NA NA +MJ079712 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 6,8,14-tri-Ac C28H36O11 548.225761 NA MeJP NA NA +MJ079713 11,12-Epoxy-2,3,9,14-tetrahydroxy-5,8(17)-briaradien-18,7-olide; Tetra-Ac C28H36O11 548.225761 NA MeJP NA NA +MJ079714 2,3,5,9,15-Pentahydroxy-6,11-euphoperfoliadiene-8,14-dione, 2,3,5,15-Tetra-Ac C28H36O11 548.225761 NA MeJP NA NA +MJ079715 4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-3,6,19,20-tetrol, Tetra-Ac C28H36O11 548.225761 NA MeJP NA NA +MJ079716 8,17-Epoxy-2,3,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 2,3,9,14-Tetra-Ac C28H36O11 548.225761 NA MeJP NA NA +MJ079717 Bruceanol A; 15-Deacyl, 15-(3,4-dimethyl-2E-pentenoyl) C28H36O11 548.225761 NA MeJP NA NA +MJ079718 Bruceolide; 15-(3,4-Dimethyl-2E-pentenoyl) C28H36O11 548.225761 NA MeJP NA NA +MJ079719 Yadanzioside N; Deglucosyl C28H36O11 548.225761 NA MeJP NA NA +C08749 Bruceantin C28H36O11 548.2258 NA KEGG NA NA +PJ004840 AAQEM C21H36N6O9S 548.2265 NA PeJP NA NA +PJ004841 GFYY C29H32N4O7 548.2271 NA PeJP NA NA +MJ079720 Apateline C34H32N2O5 548.231122 NA MeJP NA NA +MJ079721 Asterriquinone D; 2',2''-Bis(3-methyl-2-butenyl), di-O-de-Me, O-Ac C34H32N2O5 548.231122 NA MeJP NA NA +MJ079722 Asterriquinone; Mono-Ac C34H32N2O5 548.231122 NA MeJP NA NA +MJ079723 Cocsoline C34H32N2O5 548.231122 NA MeJP NA NA +MJ079724 Pachyovatamine C34H32N2O5 548.231122 NA MeJP NA NA +MJ079725 Tricordatine C34H32N2O5 548.231122 NA MeJP NA NA +MJ079726 Trilobine; N-De-Me C34H32N2O5 548.231122 NA MeJP NA NA +PJ004842 NEMR C20H36N8O8S 548.2377 NA PeJP NA NA +PJ004843 GTWW C28H32N6O6 548.2384 NA PeJP NA NA +MJ079727 Artanomaloide C32H36O8 548.241018 NA MeJP NA NA +MJ079728 Arteminolide; 8-Deacyl, 8-Ac C32H36O8 548.241018 NA MeJP NA NA +MJ079729 Cycloshizukaol A C32H36O8 548.241018 NA MeJP NA NA +MJ079730 Shizukaol J C32H36O8 548.241018 NA MeJP NA NA +PJ004844 VNMW C25H36N6O6S 548.2417 NA PeJP NA NA +PJ004845 GSKEE C21H36N6O11 548.2442 NA PeJP NA NA +PJ004846 APCKM C22H40N6O6S2 548.2451 NA PeJP NA NA +PJ004847 QQHH C22H32N10O7 548.2456 NA PeJP NA NA +MJ079731 27-Norcholest-25-ene-2,3-diol, Di-O-sulfate C26H44O8S2 548.247759 NA MeJP NA NA +PJ004848 CDRR C19H36N10O7S 548.2489 NA PeJP NA NA +MJ079732 Minovincinine, 19-Epimer, O-(3,4,5-trimethoxybenzoyl) C31H36N2O7 548.252251 NA MeJP NA NA +MJ079733 Minovincinine, O-(3,4,5-Trimethoxybenzoyl) C31H36N2O7 548.252251 NA MeJP NA NA +PJ004849 GMRW C24H36N8O5S 548.253 NA PeJP NA NA +PJ004850 GSTER C20H36N8O10 548.2555 NA PeJP NA NA +7314 celiac sprue gluten epitope from gamma-gliadin PFPQQPQQQ 548.257 MH2+ Inhouse_peptide NA peptide +7322 celiac sprue gluten epitope from gamma-gliadin PQQQFPQPQ 548.257 MH2+ Inhouse_peptide NA peptide +7327 celiac sprue gluten epitope from gamma-gliadin PQQQQPFPQ 548.257 MH2+ Inhouse_peptide NA peptide +7328 celiac sprue gluten epitope from gamma-gliadin QFPQPQQPQ 548.257 MH2+ Inhouse_peptide NA peptide +PJ004851 SKEW C25H36N6O8 548.2595 NA PeJP NA NA +C09296 Archangelolide C29H40O10 548.2621 NA KEGG NA NA +MJ079734 11,13-Epoxy-4,8,9-trihydroxy-3-oxo-10(14)-oplopen-12-oic acid, 8-(3-Methyl-2-pentenoyl), 9-(2-methylbutanoyl), 4-Ac, Me ester C29H40O10 548.262147 NA MeJP NA NA +MJ079735 14,15-Epoxy-4-isocedrene-1,3,14,15-tetrol, 3-(2,3-Epoxy-2-methylbutanoyl), 1-(2-methylbutanoyl), 14,15-di-Ac C29H40O10 548.262147 NA MeJP NA NA +MJ079736 14,15-Epoxy-4-isocedrene-1,3,14,15-tetrol, 3-(2,3-Epoxy-2-methylbutanoyl), 1-(3-methylbutanoyl), 14,15-di-Ac C29H40O10 548.262147 NA MeJP NA NA +MJ079737 14,15-Epoxy-4-isocedrene-3,8,9,14,15-pentol, 3-Angeloyl, 8-(2-methylbutanoyl),14,15-di-Ac C29H40O10 548.262147 NA MeJP NA NA +MJ079738 14,15-Epoxy-4-isocedrene-3,8,9,14,15-pentol, 3-Angeloyl, 8-(3-methylbutanoyl),14,15-di-Ac C29H40O10 548.262147 NA MeJP NA NA +MJ079739 18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 2-Me ether, 6,7,18,19-tetra Ac C29H40O10 548.262147 NA MeJP NA NA +MJ079740 19-Hydroxyingol; 8-Tigloyl, 12,19-di-Ac C29H40O10 548.262147 NA MeJP NA NA +MJ079741 2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-1,6,19-triol, 14,15-Dihydro, 1-tigloyl, 6,19-di-Ac C29H40O10 548.262147 NA MeJP NA NA +MJ079742 2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide, 3-O-(6-Deoxy-?-D-gulopyranoside) C29H40O10 548.262147 NA MeJP NA NA +MJ079743 2,8,10,11-Tetrahydroxy-3-guaien-12,6-olide, 2-O-Angeloyl, 8-O-(2-methylbutanoyl), 10,11-di-Ac C29H40O10 548.262147 NA MeJP NA NA +MJ079744 3,14,19-Trihydroxycarda-5,20(22)-dienolide, 19-Aldehyde, 3-O-?-D-glucopyranoside C29H40O10 548.262147 NA MeJP NA NA +MJ079745 3,5,11,14-Tetrahydroxy-19-oxocarda-6,20(22)-dienolide, 3-O-(2,6-Dideoxy-?-D-xylo-hexopyranoside) C29H40O10 548.262147 NA MeJP NA NA +MJ079746 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-Tigloyl, 6,19-di-Ac C29H40O10 548.262147 NA MeJP NA NA +MJ079747 4,18-Epoxy-3,6,19-trihydroxy-1-oxo-13-cleroden-15,16-olide, 3-(2-Methylbutanoyl), 6,19-di-Ac C29H40O10 548.262147 NA MeJP NA NA +MJ079748 4,18-Epoxy-6,8,11,19-tetrahydroxy-13-cleroden-15,16-olide, 6-Tigloyl, 11,19-di-Ac C29H40O10 548.262147 NA MeJP NA NA +MJ079749 4,18:11,16:15,16-Triepoxy-14-clerodene-1,3,6,19-tetrol, 1-Tigloyl, 6,19-di-Ac C29H40O10 548.262147 NA MeJP NA NA +MJ079750 4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 3-Tigloyl, 6,19-di-Ac C29H40O10 548.262147 NA MeJP NA NA +MJ079751 4,18:11,16:15,16-Triepoxy-7,14-clerodadiene-2,3,6,19-tetrol, 3-(2-Methylbutanoyl), 6,19-di-Ac C29H40O10 548.262147 NA MeJP NA NA +MJ079752 4,18:8,13-Diepoxy-6,11,19-trihydroxy-15,16-clerodanolide, 6-Tigloyl, 11,19-di-Ac C29H40O10 548.262147 NA MeJP NA NA +MJ079753 4,18:8,13-Diepoxy-6,7,19-trihydroxy-15,16-clerodanolide, 6-Tigloyl, 7,19-di-Ac C29H40O10 548.262147 NA MeJP NA NA +MJ079754 8,13-Epoxy-1,6,7,11-tetrahydroxy-4(18)-cleroden-15,16-olide, 7-(3-Methyl-2-butenoyl), 1,11-di-Ac C29H40O10 548.262147 NA MeJP NA NA +MJ079755 Affinoside C; 4'?-Hydroxy, O-de-Me C29H40O10 548.262147 NA MeJP NA NA +MJ079756 Andirobicin B; 2-O-?-D-Glucopyranoside C29H40O10 548.262147 NA MeJP NA NA +MJ079757 Baccharinoid B1 C29H40O10 548.262147 NA MeJP NA NA +MJ079758 Baccharinoid B9; 13'-Epimer, 2',3'-Dihydro C29H40O10 548.262147 NA MeJP NA NA +MJ079759 Gomphoside; 19-Oxo, 16?-hydroxy C29H40O10 548.262147 NA MeJP NA NA +MJ079760 Gomphoside; 19-Oxo, 17?-hydroxy C29H40O10 548.262147 NA MeJP NA NA +MJ079761 Gomphoside; 19-Oxo, 17?-hydroxy C29H40O10 548.262147 NA MeJP NA NA +MJ079762 Gomphoside; 19-Oxo, 4'?-hydroxy C29H40O10 548.262147 NA MeJP NA NA +MJ079763 Gomphoside; 3'-Epimer, 19-oxo, 15?-hydroxy C29H40O10 548.262147 NA MeJP NA NA +MJ079764 Roridin A; 16-Hydroxy C29H40O10 548.262147 NA MeJP NA NA +MJ079765 Roridin A; 8?-Hydroxy C29H40O10 548.262147 NA MeJP NA NA +MJ079766 Roridin A; 9?,10?-Epoxide C29H40O10 548.262147 NA MeJP NA NA +MJ079767 Trichoverrol A; 6',7'-Diepimer, 8?-hydroxy, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) C29H40O10 548.262147 NA MeJP NA NA +MJ079768 Trichoverrol A; 6',7'-Diepimer, 9?,10?-epoxide, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) C29H40O10 548.262147 NA MeJP NA NA +MJ079769 Trichoverrol A; 6'-Epimer, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl), 9?,10?-epoxide C29H40O10 548.262147 NA MeJP NA NA +PJ004852 AAKEM C22H40N6O8S 548.2629 NA PeJP NA NA +MJ079770 Murabutide C23H40N4O11 548.269358 NA MeJP NA NA +PJ004853 STRW C24H36N8O7 548.2707 NA PeJP NA NA +MJ079771 Antibiotic TAN 420; Antibiotic TAN 420A C28H40N2O9 548.27338 NA MeJP NA NA +MJ079772 Antimycin A; Antimycin A1 C28H40N2O9 548.27338 NA MeJP NA NA +MetaCyc03841 antimycin A [] C28H40N2O9 548.273381 NA metacyc NA NA +C11339 Antimycin A1 C28H40N2O9 548.2734 NA KEGG NA NA +PJ004854 DKMR C21H40N8O7S 548.2741 NA PeJP NA NA +PJ004855 VHFF C29H36N6O5 548.2747 NA PeJP NA NA +FL6F1ANC0002 (+)-Myristinin A;Myristinin A;trans-(+)-1-[3-[3,4-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxyphenyl]-1-dodecanone C33H40O7 548.2774 145904-69-4 knapsack NA NA +MJ079773 4-(3-Dodecanoyl-2,4,6-trihydroxyphenyl)-4',7-dihydroxyflavan C33H40O7 548.277403 NA MeJP NA NA +MJ079774 Eupenifeldin C33H40O7 548.277403 NA MeJP NA NA +MJ079775 Pycnidione C33H40O7 548.277403 NA MeJP NA NA +PJ004856 CLKW C26H40N6O5S 548.2781 NA PeJP NA NA +PJ004857 ATTKE C22H40N6O10 548.2806 NA PeJP NA NA +PJ004858 QKHH C23H36N10O6 548.282 NA PeJP NA NA +MJ079776 15-Isopimarene-1,3,6,8,11,12,19-heptol, 12-O-?-D-Glucopyranoride C26H44O12 548.283276 NA MeJP NA NA +PJ004859 SMRR C20H40N10O6S 548.2853 NA PeJP NA NA +MJ079777 Narcissamine C32H40N2O6 548.288637 NA MeJP NA NA +PJ004860 SSSLR C21H40N8O9 548.2918 NA PeJP NA NA +PJ004861 AAPKY C26H40N6O7 548.2959 NA PeJP NA NA +C08859 Cymarin C30H44O9 548.2985 NA KEGG NA NA +MJ079778 1,3,14-Trihydroxycarda-4,20(22)-dienolide, 3-O-(3-O-Methyl-L-rhamnoside) C30H44O9 548.298533 NA MeJP NA NA +MJ079779 11,12-Epoxy-3,14-dihydroxycard-20(22)-enolide, 3-O-L-Thevetoside C30H44O9 548.298533 NA MeJP NA NA +MJ079780 18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 18,19-Dibutanoyl, 6-Ac C30H44O9 548.298533 NA MeJP NA NA +MJ079781 18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 7,18-Dibutanoyl, 19-Ac C30H44O9 548.298533 NA MeJP NA NA +MJ079782 18,20-Epoxy-3,14-dihydroxy-19-oxo-24-norcholan-23,21-olide, 3-O-?-D-Cymaropyranoside C30H44O9 548.298533 NA MeJP NA NA +MJ079783 3,11,14-Trihydroxy-12-oxocard-20(22)-enolide, 3-O-L-Diginoside C30H44O9 548.298533 NA MeJP NA NA +MJ079784 3,11,14-Trihydroxy-12-oxocard-20(22)-enolide, 3-O-L-Oleandroside C30H44O9 548.298533 NA MeJP NA NA +MJ079785 3,12,14-Trihydroxy-11-oxocard-20(22)-enolide, 3-O-D-Sarmentoside C30H44O9 548.298533 NA MeJP NA NA +MJ079786 3,12,14-Trihydroxy-11-oxocard-20(22)-enolide, 3-O-Diginoside C30H44O9 548.298533 NA MeJP NA NA +MJ079787 3,12,14-Trihydroxy-11-oxocard-20(22)-enolide, 3-O-L-Diginoside C30H44O9 548.298533 NA MeJP NA NA +MJ079788 3,12,14-Trihydroxy-11-oxocard-20(22)-enolide, 3-O-L-Oleandroside C30H44O9 548.298533 NA MeJP NA NA +MJ079789 3,14-Dihydroxy-11-oxocard-20(22)-enolide, 3-O-D-Digitaloside C30H44O9 548.298533 NA MeJP NA NA +MJ079790 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside) C30H44O9 548.298533 NA MeJP NA NA +MJ079791 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-D-galactopyranoside) C30H44O9 548.298533 NA MeJP NA NA +MJ079792 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranoside) C30H44O9 548.298533 NA MeJP NA NA +MJ079793 Cyasterone; 28-Demethyl, 2-Ac C30H44O9 548.298533 NA MeJP NA NA +MJ079794 Cyasterone; 28-Demethyl, 3-Ac C30H44O9 548.298533 NA MeJP NA NA +MJ079795 Gitaloxigenin; 3-O-Digitoxopyranoside C30H44O9 548.298533 NA MeJP NA NA +MJ079796 Gossweiloside C30H44O9 548.298533 NA MeJP NA NA +MJ079797 Tanghinigenin; 17-Epimer, 3-O-(6-Deoxy-3-O-methyl-L-glucopyranoside) C30H44O9 548.298533 NA MeJP NA NA +MJ079798 Tanghinigenin; 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside) C30H44O9 548.298533 NA MeJP NA NA +PJ004862 GTLKM C23H44N6O7S 548.2992 NA PeJP NA NA +MJ079799 Chaenorhine C31H40N4O5 548.29987 NA MeJP NA NA +MJ079800 Nummularine C C31H40N4O5 548.29987 NA MeJP NA NA +MJ079801 Paliurine E C31H40N4O5 548.29987 NA MeJP NA NA +MJ079802 Paliurine F C31H40N4O5 548.29987 NA MeJP NA NA +C16261 5beta-Scymnol sulfate C27H48O9S 548.3019 NA KEGG NA NA +MJ079803 Cholestane-3,5,6,15,16,26-hexol, 15-Sulfate C27H48O9S 548.301903 NA MeJP NA NA +MJ079804 Cholestane-3,5,6,15,16,26-hexol, 16-Sulfate C27H48O9S 548.301903 NA MeJP NA NA +MJ079805 Cholestane-3,5,6,15,16,26-hexol, 26-Sulfate C27H48O9S 548.301903 NA MeJP NA NA +MJ079806 Cholestane-3,5,6,15,16,26-hexol, 3-Sulfate C27H48O9S 548.301903 NA MeJP NA NA +MJ079807 Cholestane-3,7,12,24,26,27-hexol, 27-Sulfate C27H48O9S 548.301903 NA MeJP NA NA +MJ079808 [2-(2-Phenoxyethyl)-1,3-propanediyl]bisphosphonic acid; Tetrabutyl ester C27H50O7P2 548.303176 NA MeJP NA NA +MJ079809 N-(2-Hydroxy-3-phenylpropanoyl)leucylarginylaspartamide C25H40N8O6 548.307081 NA MeJP NA NA +PJ004863 VQFR C25H40N8O6 548.3071 NA PeJP NA NA +MJ079810 Geldanamycin; 18,21-Hydroquinone, 21-deoxy, 4,5-dihydro C29H44N2O8 548.309766 NA MeJP NA NA +MJ079811 Lebstatin C29H44N2O8 548.309766 NA MeJP NA NA +MJ079812 Ibupred C34H44O6 548.313789 NA MeJP NA NA +MJ079813 Ingenol; 3-(2,4,6,8,10-Tetradecapentaenoyl) C34H44O6 548.313789 NA MeJP NA NA +MJ079814 Limocinin C34H44O6 548.313789 NA MeJP NA NA +MJ079815 Schweinfurthin A C34H44O6 548.313789 NA MeJP NA NA +PJ004864 STTLK C23H44N6O9 548.317 NA PeJP NA NA +MJ079816 Halisulfate 1 C31H48O6S 548.317159 NA MeJP NA NA +PJ004865 AFRR C24H40N10O5 548.3183 NA PeJP NA NA +MJ079817 Peloruside A C27H48O11 548.319662 NA MeJP NA NA +PJ004866 AALKF C27H44N6O6 548.3323 NA PeJP NA NA +MJ079818 1(10),4-Germacradien-6-ol, O-(3,4-Di-O-angeloyl-?-D-glucopyranoside) C31H48O8 548.334918 NA MeJP NA NA +MJ079819 1,3,25-Trihydroxy-21-oxocycloart-23-en-28-oic acid, 21-Carboxylic acid, 25-hydroperoxide, 28-Me ester C31H48O8 548.334918 NA MeJP NA NA +MJ079820 Pluchidionol C31H48O8 548.334918 NA MeJP NA NA +PJ004867 VKFR C26H44N8O5 548.3435 NA PeJP NA NA +MJ079821 Manzamine A C36H44N4O 548.351512 NA MeJP NA NA +MJ079822 Glidobactin C C29H48N4O6 548.357385 NA MeJP NA NA +MJ079823 Chisocheton compound C C32H52O7 548.371304 NA MeJP NA NA +MJ079824 Raspacionin; 15,21-Dideacetyl, 10,28-dihydro, 10?-acetoxy, 4,21-diketone C32H52O7 548.371304 NA MeJP NA NA +MJ079825 Raspacionin; 15,21-Dideacetyl, 10,28-dihydro, 10?-acetoxy, 4,21-diketone C32H52O7 548.371304 NA MeJP NA NA +MJ079826 3,11-Dihydroxystigmast-7-en-6-one, 3-Benzoyl C36H52O4 548.38656 NA MeJP NA NA +MJ079827 3,22-Dihydroxy-4-methylergost-7-en-6-one, 3-Benzoyl C36H52O4 548.38656 NA MeJP NA NA +MJ079828 Cyclomicrophylline I; N-Tetra-Me, O16-benzoyl C35H52N2O3 548.397793 NA MeJP NA NA +MJ079829 Nabitan C35H52N2O3 548.397793 NA MeJP NA NA +MJ079830 3',4',7',8'-Tetradehydro-?,?-caroten-3-ol C40H52O 548.401816 NA MeJP NA NA +MJ079831 3',4'-Didehydro-?,?-caroten-4-one C40H52O 548.401816 NA MeJP NA NA +MJ079832 3,4-Didehydro-?,?-caroten-16-al C40H52O 548.401816 NA MeJP NA NA +MJ079833 3,4-Didehydro-?,?-caroten-2-one C40H52O 548.401816 NA MeJP NA NA +MJ079834 Agelaxanthin A C40H52O 548.401816 NA MeJP NA NA +MJ079835 Echinenone; 3',4'-Didehydro C40H52O 548.401816 NA MeJP NA NA +MJ079836 Isoagelaxanthin A C40H52O 548.401816 NA MeJP NA NA +MJ079837 Torularhodin; 16'-Aldehyde C40H52O 548.401816 NA MeJP NA NA +MJ079838 Ergost-5-ene-3,25-diol, 3-O-?-D-Arabinopyranoside C33H56O6 548.407689 NA MeJP NA NA +MetaCyc03842 cholesteryl-β-D-glucoside [] C33H56O6 548.40769 NA metacyc NA NA +C03855 Cholesteryl-beta-D-glucoside C33H56O6 548.4077 NA KEGG NA NA +C03856 Complement subcomponent C1s- C33H56O6 548.4077 NA KEGG NA NA +MJ079839 20,34-Heptatriacontadiene-2,4,6,36-tetrayne-1,8,33-triol C37H56O3 548.422945 NA MeJP NA NA +HMDB12148 2-Hexaprenyl-6-methoxy-1,4-benzoquinol C37H56O3 548.422974 NA HMDB2010 NA NA +MJ079840 Cadabalone C35H64O4 548.48046 NA MeJP NA NA +MJ079841 Cohibin A C35H64O4 548.48046 NA MeJP NA NA +MJ079842 Cohibin B C35H64O4 548.48046 NA MeJP NA NA +MJ079843 Cyclostellettamine; Cyclostellettamine F C38H64N2 548.50695 NA MeJP NA NA +MJ079844 3-Methyl-3-buten-1-ol; Dotriacontanoyl C37H72O2 548.553231 NA MeJP NA NA +MJ079845 4-Methyl-1-heptatriaconten-10-ol C38H76O 548.589617 NA MeJP NA NA +MJ079846 2-(3,5-Dibromo-2-hydroxyphenyl)-3,4,5-tribromopyrrole C10H4Br5NO 548.620976 NA MeJP NA NA +MJ079847 11,21-Dimethylheptatriacontane C39H80 548.626002 NA MeJP NA NA +MJ079848 11,23-Dimethylheptatriacontane C39H80 548.626002 NA MeJP NA NA +MJ079849 13,25-Dimethylheptatriacontane C39H80 548.626002 NA MeJP NA NA +MJ079850 15,19-Dimethylheptatriacontane C39H80 548.626002 NA MeJP NA NA +MJ079851 17,21-Dimethylheptatriacontane C39H80 548.626002 NA MeJP NA NA +7379 celiac sprue gluten epitope found in hordein QQPFPPQQE 548.749 MH2+ Inhouse_peptide NA peptide +7308 celiac sprue gluten epitope from alpha-gliadin QYPQPQQPI 548.7675 MH2+ Inhouse_peptide NA peptide +2841 orphanin FQ/nociceptin peptide [FQ/N (1-11)] FGGFTGARKSA 548.7735 MH2+ Inhouse_peptide NA peptide +3395 NA AMKPWIQPK 548.79515 MH2+ Inhouse_peptide NA peptide +7497 ACE inhibitor (from bovine as2-CN) AMKPWIQPK 548.7952 MH2+ Inhouse_peptide NA peptide +FL7AACGL0093 Cyanidin 3-O-(6''-O-succinyl-beta-glucopyranoside) C25H25O14 549.12443 749192-65-2 knapsack NA NA +FL7AADGL0012 Peonidin 3-(6''-malonylglucoside) C25H25O14 549.12443 122856-11-5 knapsack NA NA +C06777 Pradimicinone I C28H23NO11 549.1271 NA KEGG NA NA +FL7DAAGS0004 Apigeninidin 5-(5''-caffeylarabinoside) C29H25O11 549.13968 131400-98-1 knapsack NA NA +MJ079852 Oganomycin B C24H27N3O10S 549.141714 NA MeJP NA NA +PJ004868 GCCMH C19H31N7O6S3 549.1498 NA PeJP NA NA +MJ079853 Ezomycin D2 C19H27N5O14 549.15545 NA MeJP NA NA +PJ004869 GDDDE C19H27N5O14 549.1555 NA PeJP NA NA +PJ004870 STCCH C19H31N7O8S2 549.1676 NA PeJP NA NA +PJ004871 DDDW C23H27N5O11 549.1707 NA PeJP NA NA +MJ079854 2-Propyl-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4-[2-(trifluoroacetyl)-1H-pyrrol-1-yl]-1H-imidazole-5-carboxylic acid C27H22F3N7O3 549.173622 NA MeJP NA NA +PJ004872 SPCDE C20H31N5O11S 549.1741 NA PeJP NA NA +PJ004873 PPCCM C21H35N5O6S3 549.175 NA PeJP NA NA +PJ004874 GNNDM C19H31N7O10S 549.1853 NA PeJP NA NA +PJ004875 GGGGGDM C19H31N7O10S 549.1854 NA PeJP NA NA +PJ004876 GSEEE C20H31N5O13 549.1919 NA PeJP NA NA +PJ004877 GPDMM C21H35N5O8S2 549.1927 NA PeJP NA NA +MJ079855 Astin E C25H32ClN5O7 549.199026 NA MeJP NA NA +MJ079856 Jadomycin; 6-O-(2,6-Dideoxyhexopyranoside) C30H31NO9 549.199881 NA MeJP NA NA +MJ079857 Ravidomycin; 10-O-De-Me C30H31NO9 549.199881 NA MeJP NA NA +MJ079858 Ravidomycin; N-De-Me C30H31NO9 549.199881 NA MeJP NA NA +MJ079859 Rocaglatic acid; 3'-Hydroxy, 1-Ac, methylamide C30H31NO9 549.199881 NA MeJP NA NA +C12395 Jadomycin B C30H31NO9 549.1999 NA KEGG NA NA +PJ004878 CNQW C23H31N7O7S 549.2006 NA PeJP NA NA +PJ004879 SSNNE C19H31N7O12 549.2031 NA PeJP NA NA +MJ079860 Rotamicillin C28H31N5O5S 549.204589 NA MeJP NA NA +PJ004880 SEEW C24H31N5O10 549.2071 NA PeJP NA NA +PJ004881 AAEEM C21H35N5O10S 549.2105 NA PeJP NA NA +PJ004882 GPCHH C22H31N9O6S 549.2118 NA PeJP NA NA +PJ004883 GSSNW C23H31N7O9 549.2183 NA PeJP NA NA +PJ004884 GGGSSW C23H31N7O9 549.2184 NA PeJP NA NA +PJ004885 DEMR C20H35N7O9S 549.2217 NA PeJP NA NA +MJ079861 Saframycin YD-2 C28H31N5O7 549.222348 NA MeJP NA NA +PJ004886 VDMW C25H35N5O7S 549.2257 NA PeJP NA NA +MJ079862 17-(3-Carboxy-1-oxopropoxy)-21-chloro-11-[4-(dimethylamino)phenyl]-19-norpregna-4,9-dien-20-yn-3-one C32H36ClNO5 549.2282 NA MeJP NA NA +PJ004887 ATTEE C21H35N5O12 549.2282 NA PeJP NA NA +PJ004888 APTMM C22H39N5O7S2 549.2291 NA PeJP NA NA +PJ004889 QEHH C22H31N9O8 549.2296 NA PeJP NA NA +PJ004890 GSCQR C19H35N9O8S 549.233 NA PeJP NA NA +MJ079863 Neoharringtonine; Homologue (n=2) C31H35NO8 549.236267 NA MeJP NA NA +MJ079864 Rocaglatic acid; 3'-Hydroxy, 8b-Et ether, dimethylamide C31H35NO8 549.236267 NA MeJP NA NA +MJ079865 Rocaglatic acid; 4-Hydroxybutylamide C31H35NO8 549.236267 NA MeJP NA NA +PJ004891 CNKW C24H35N7O6S 549.237 NA PeJP NA NA +PJ004892 SSNDK C20H35N7O11 549.2395 NA PeJP NA NA +PJ004893 AAPEY C25H35N5O9 549.2435 NA PeJP NA NA +PJ004894 AHHW C26H31N9O5 549.2448 NA PeJP NA NA +PJ004895 GTLEM C22H39N5O9S 549.2469 NA PeJP NA NA +PJ004896 SSSNR C19H35N9O10 549.2507 NA PeJP NA NA +PJ004897 PDRY C24H35N7O8 549.2547 NA PeJP NA NA +PJ004898 GGGGGVF C24H35N7O8 549.2548 NA PeJP NA NA +PJ004899 GSQKM C21H39N7O8S 549.2581 NA PeJP NA NA +PJ004900 PTFW C29H35N5O6 549.2588 NA PeJP NA NA +MJ079866 Geodiamolide A; Chloro analogue C28H40ClN3O6 549.260563 NA MeJP NA NA +PJ004901 TLMW C26H39N5O6S 549.2621 NA PeJP NA NA +MJ079867 Fluphenazine; Heptanoyl C29H38F3N3O2S 549.263682 NA MeJP NA NA +C07955 Fluphenazine enanthate C29H38F3N3O2S 549.2637 NA KEGG NA NA +PJ004902 STTLE C22H39N5O11 549.2646 NA PeJP NA NA +PJ004903 GVLMM C23H43N5O6S2 549.2655 NA PeJP NA NA +MJ079868 Antibiotic KSA 9342 C23H35N9O7 549.265944 NA MeJP NA NA +PJ004904 NNFR C23H35N9O7 549.266 NA PeJP NA NA +3789 NA YPASL 549.268 ACE inhibitor Inhouse_peptide NA peptide +PJ004905 GSCKR C20H39N9O7S 549.2693 NA PeJP NA NA +MJ079869 Zygosporin D; 7,21-Di-Ac C32H39NO7 549.272652 NA MeJP NA NA +PJ004906 PMFR C25H39N7O5S 549.2734 NA PeJP NA NA +PJ004907 SSTQK C21H39N7O10 549.2759 NA PeJP NA NA +PJ004908 LMMR C22H43N7O5S2 549.2767 NA PeJP NA NA +PJ004909 THHR C22H35N11O6 549.2772 NA PeJP NA NA +PJ004910 GPTLY C26H39N5O8 549.2799 NA PeJP NA NA +EUR910 Lyso PE 22:5 [M+Na]+ C27H46NO7P 549.283138 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR910 Lyso PE 22:5 [M+Na]+ C27H46NO7P 549.283138 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR910 Lyso PE 22:5 [M+Na]+ C27H46NO7P 549.283138 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR910 Lyso PE 22:5 [M+Na]+ C27H46NO7P 549.283138 masses lipides attendues Inhousejuil11 NA NA +PJ004911 TTCLL C23H43N5O8S 549.2832 NA PeJP NA NA +PJ004912 SSLLM C23H43N5O8S 549.2833 NA PeJP NA NA +MJ079870 Roehybridine; N-Oxide (?-) C31H39N3O6 549.283885 NA MeJP NA NA +PJ004913 VEFR C25H39N7O7 549.2911 NA PeJP NA NA +PJ004914 GSKKM C22H43N7O7S 549.2945 NA PeJP NA NA +PJ004915 VVFW C30H39N5O5 549.2951 NA PeJP NA NA +MJ079871 Ergosine; 9,10?-Dihydro C30H39N5O5 549.295119 NA MeJP NA NA +MJ079872 ?-Lactorphin; 2-L-Leucine analogue C30H39N5O5 549.295119 NA MeJP NA NA +EUR877 Lyso PE 20:3 [M+FA-H]- C25H46NO7P 549.306072 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR877 Lyso PE 20:3 [M+FA-H]- C25H46NO7P 549.306072 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR877 Lyso PE 20:3 [M+FA-H]- C25H46NO7P 549.306072 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR877 Lyso PE 20:3 [M+FA-H]- C25H46NO7P 549.306072 masses lipides attendues Inhousejuil11 NA NA +MJ079873 Petunianine B C33H43NO6 549.309038 NA MeJP NA NA +PJ004916 SSTKK C22H43N7O9 549.3122 NA PeJP NA NA +7801 ACE inhibitor from as2-casein VRYL 549.316 ACE inhibitor Inhouse_peptide NA peptide +PJ004917 AALLY C27H43N5O7 549.3163 NA PeJP NA NA +PJ004918 VLRY C26H43N7O6 549.3275 NA PeJP NA NA +MJ079874 Isostrychnopentamine B C35H43N5O 549.346761 NA MeJP NA NA +MJ079875 Strychnopentamine C35H43N5O 549.346761 NA MeJP NA NA +PJ004919 KKKF C27H47N7O5 549.3639 NA PeJP NA NA +EUR749 Lyso PC 20:1 monoisotopic mass C28H56NO7P 549.379442 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR921 Lyso PE 24:1 [M-H-CH3]- C29H58NO7P 549.379442 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR749 Lyso PC 20:1 monoisotopic mass C28H56NO7P 549.379442 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR921 Lyso PE 24:1 [M-H-CH3]- C29H58NO7P 549.379442 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR749 Lyso PC 20:1 monoisotopic mass C28H56NO7P 549.379442 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR921 Lyso PE 24:1 [M-H-CH3]- C29H58NO7P 549.379442 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR749 Lyso PC 20:1 monoisotopic mass C28H56NO7P 549.379442 masses lipides attendues Inhousejuil11 NA NA +EUR921 Lyso PE 24:1 [M-H-CH3]- C29H58NO7P 549.379442 masses lipides attendues Inhousejuil11 NA NA +HMDB10391 LysoPC(20:1(11Z)) C28H56NO7P 549.379456 NA HMDB2010 NA NA +HMDB11148 PC(18:1(9Z)e/2:0) C28H56NO7P 549.379456 NA HMDB2010 NA NA +EUR599 LysoPC(20:1) NA 549.379475 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR599 LysoPC(20:1) [M+H]+ 549.379475 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR599 LysoPC(20:1) NA 549.379475 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR599 LysoPC(20:1) [M+H]+ 549.379475 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR599 LysoPC(20:1) NA 549.379475 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR599 LysoPC(20:1) [M+H]+ 549.379475 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR599 LysoPC(20:1) NA 549.379475 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR599 LysoPC(20:1) NA 549.379475 identifiés dans sérum NuGO HMDB NA NA +EUR599 LysoPC(20:1) NA 549.379475 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR599 LysoPC(20:1) [M+H]+ 549.379475 identifies dans serum NuGO Inhousejuil11 NA NA +EUR599 LysoPC(20:1) NA 549.379475 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR599 LysoPC(20:1) NA 549.379475 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +MJ079876 3-Methyl-2-[6-(3-methyl-2-butenyl)-1H-indol-3-yl]-1,3-butanediol, O2'-(9Z,12Z-Octadecadienoyl) C36H55NO3 549.418194 NA MeJP NA NA +MJ079877 2-Amino-17-methyl-4,8-octadecadiene-1,3-diol, N-Hexadecanoyl C35H67NO3 549.512095 NA MeJP NA NA +MJ079878 2-Amino-4,8-octadecadiene-1,3-diol, N-Me, N-hexadecanoyl C35H67NO3 549.512095 NA MeJP NA NA +2880 opioid fragment of b-lipotropin beta-neoendorph YGGFLRKYP 549.7835 MH2+ Inhouse_peptide NA peptide +7779 Streptococcus mutans inhibitor TFFRLFNR 549.78995 MH2+ Inhouse_peptide NA peptide +MJ079879 Sirodesmin A; Tetrasulfide homologue C20H26N2O8S4 550.057198 NA MeJP NA NA +MJ079880 Sirodesmin D C20H26N2O8S4 550.057198 NA MeJP NA NA +C01009 UDP-2-deoxyglucose C15H24N2O16P2 550.0601 NA KEGG NA NA +C02199 UDP-L-rhamnose C15H24N2O16P2 550.0601 NA KEGG NA NA +MJ079881 UDP-L-rhamnose C15H24N2O16P2 550.060105 NA MeJP NA NA +MetaCyc03843 UDP-L-rhamnose [UDP-rhamnose;] C15H24N2O16P2 550.060106 NA metacyc NA NA +HMDB12305 UDP-L-rhamnose C15H24N2O16P2 550.06012 NA HMDB2010 NA NA +MJ079882 3',4',5,6,7-Pentahydroxyflavone; 7-O-(6-Malonyl-?-D-glucopyranoside) C24H22O15 550.09587 NA MeJP NA NA +MJ079883 Hyperin; 6''-O-Malonoyl C24H22O15 550.09587 NA MeJP NA NA +MJ079884 Isoquercitrin; 6''-O-Malonoyl C24H22O15 550.09587 NA MeJP NA NA +MJ079885 3,3',4',5,6,7-Hexahydroxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside) C24H23O15(+) 550.09587 NA MeJP NA NA +FL3FECGS0020 6-Hydroxyluteolin 7-(6''-malonylglucoside) C24H22O15 550.09587 98767-37-4 knapsack NA NA +FL5FACGA0028 Quercetin 3-(6''-malonylgalactoside) C24H22O15 550.09587 84392-08-5 knapsack NA NA +FL5FACGL0054 Quercetin 3-(6''-malonylglucoside) C24H22O15 550.09587 96862-01-0 knapsack NA NA +FL5FAGGS0027 Myricetin 3-(4''-malonylrhamnoside);3-[[4-O-(Carboxyacetyl)-6-deoxy-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C24H22O15 550.09587 354527-07-4 knapsack NA NA +C12638 Quercetin 3-O-(6-O-malonyl-beta-D-glucoside) C24H22O15 550.0959 NA KEGG NA NA +MJ079886 1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 1,2,4,7,8-Penta-Ac C28H22O12 550.111126 NA MeJP NA NA +MJ079887 Mebezonium(2+); Iodide C19H40I2N2 550.128086 NA MeJP NA NA +FL3FACCS0042 6,8-Di-C-arabionopyranosylluteolin C25H26O14 550.13225 152128-82-0 knapsack NA NA +FL3FEAGS0045 Scutellarein 7-xylosyl-(1->2)-xyloside;6-Hydroxyapigenin 7-xylosyl-(1->2)-xyloside;5,6-Dihydroxy-2-(4-hydroxyphenyl)-7-[(2-O-beta-D-xylopyranosyl-beta-D-xylopyranosyl)oxy]-4H-1-benzopyran-4-one C25H26O14 550.13225 340757-46-2 knapsack NA NA +FL5FAAGS0032 Kaempferol 3,4'-dixyloside C25H26O14 550.13225 78468-28-7 knapsack NA NA +FL5FAIGL0004 Syringetin 3-(6''-acetylglucoside) C25H26O14 550.13225 - knapsack NA NA +FL5FECGS0053 Quercetagetin 7-(6''-isobutyrylglucoside);6-Hydroxyquercetin 7-(6''-isobutyrylglucoside);2-(3,4-Dihydroxyphenyl)-3,5,6-trihydroxy-7-[[6-O-(2-methyl-1-oxopropyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C25H26O14 550.13225 239133-33-6 knapsack NA NA +FL5FFCGS0022 Limocitrin 7-(6''-acetylglucoside) C25H26O14 550.13225 97744-93-9 knapsack NA NA +MJ079888 2,5,7,8-Tetrahydroxy-6-[2-(2-methoxyethoxy)-3-[(methoxymethoxy)methoxy]propanoyl]-4-methylanthraquinone-1-carboxylic acid C25H26O14 550.132255 NA MeJP NA NA +MJ079889 3,3',4',5,6,7-Hexahydroxyflavone; 7-O-[2-Methylpropanoyl-(?6)-?-D-glucopyranoside] C25H26O14 550.132255 NA MeJP NA NA +MJ079890 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-(6-O-Acetyl-?-D-glucopyranoside) C25H26O14 550.132255 NA MeJP NA NA +MJ079891 3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) C25H26O14 550.132255 NA MeJP NA NA +MJ079892 3,4',5,7-Tetrahydroxyflavone; 3,4'-Di-O-D-xyloside C25H26O14 550.132255 NA MeJP NA NA +MJ079893 3,4',5,7-Tetrahydroxyflavone; 3,7-Diarabinoside C25H26O14 550.132255 NA MeJP NA NA +MJ079894 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-arabinopyranoside] C25H26O14 550.132255 NA MeJP NA NA +MJ079895 4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?2)-?-D-xylopyranoside] C25H26O14 550.132255 NA MeJP NA NA +MJ079896 6,8-Diarabinosyl-3',4',5,7-tetrahydroxyflavone C25H26O14 550.132255 NA MeJP NA NA +MJ079897 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[Xylosyl-(1??)-arabinoside] C25H27O14(+) 550.132255 NA MeJP NA NA +MJ079898 Cefclidin C21H26N8O6S2 550.141671 NA MeJP NA NA +C11202 Cefclidin C21H26N8O6S2 550.1417 NA KEGG NA NA +MJ079899 Betanidin; 15-Epimer, 5-O-?-D-glucopyranoside C24H26N2O13 550.143488 NA MeJP NA NA +MJ079900 Betanidin; 15-Epimer, 6-O-?-D-glucopyranoside C24H26N2O13 550.143488 NA MeJP NA NA +MJ079901 Betanidin; 5-O-?-D-Glucopyranoside C24H26N2O13 550.143488 NA MeJP NA NA +MJ079902 Betanidin; 6-O-?-D-Glucopyranoside C24H26N2O13 550.143488 NA MeJP NA NA +C08540 Betanin C24H26N2O13 550.1435 NA KEGG NA NA +C08544 Gomphrenin-I C24H26N2O13 550.1435 NA KEGG NA NA +C08551 Isobetanin C24H26N2O13 550.1435 NA KEGG NA NA +FLIA1AGS0014 Formononetin 7-O-(2''-p-hydroxybenzoylglucoside) C29H26O11 550.14751 122130-27-2 knapsack NA NA +MJ079903 7-Hydroxy-4'-methoxyisoflavone; 7-O-[4-Hydroxybenzoyl-(?2)-?-D-glucopyranoside] C29H26O11 550.147511 NA MeJP NA NA +MJ079904 Clecarmycin C C29H26O11 550.147511 NA MeJP NA NA +PJ004920 PCCND C19H30N6O9S2 550.1516 NA PeJP NA NA +PJ004921 CCYY C24H30N4O7S2 550.1556 NA PeJP NA NA +FL1C1AGS0004 Licuroside C26H30O13 550.16864 29913-71-1 knapsack NA NA +FL1CAAGS0006 Chalconaringenin 2'-rhamnosyl-(1->4)-xyloside C26H30O13 550.16864 82344-84-1 knapsack NA NA +FL2F1AGS0003 Liquiritigenin 4'-O-apiosyl(1->2)-glucoside C26H30O13 550.16864 74639-14-8 knapsack NA NA +FL2F1AGS0004 Liquiritigenin 7-apiofuranoside-4'-glucoside;7,4'-Dihydroxyflavanone 7-apiofuranoside-4'-glucoside C26H30O13 550.16864 199796-12-8 knapsack NA NA +MJ079905 1,3,8,9-Tetrahydroxy-6-methylanthracene; Glycoside C26H30O13 550.168641 NA MeJP NA NA +MJ079906 10-Hydroxyoleoside, 10-Cinnamoyl(E-), 7-Me ester C26H30O13 550.168641 NA MeJP NA NA +MJ079907 2',4,4',6'-Tetrahydroxychalcone; 2'-O-[Rhamnosyl-(1?4)-xyloside] C26H30O13 550.168641 NA MeJP NA NA +MJ079908 2',4,4'-Trihydroxychalcone; 4'-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C26H30O13 550.168641 NA MeJP NA NA +MJ079909 2',4,4'-Trihydroxychalcone; 4-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C26H30O13 550.168641 NA MeJP NA NA +MJ079910 3,4',5,7-Tetrahydroxy-8-prenylflavone; 2'',3''-Dihydro, 2'',3''-dihydroxy, 7-O-?-D-glucopyranoside C26H30O13 550.168641 NA MeJP NA NA +MJ079911 4',7-Dihydroxyflavanone, 4'-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C26H30O13 550.168641 NA MeJP NA NA +MJ079912 4',7-Dihydroxyflavanone, 7-O-?-D-Apiofuranoside, 4'-O-?-D-glucopyranoside C26H30O13 550.168641 NA MeJP NA NA +MJ079913 4',7-Dihydroxyflavanone, 7-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C26H30O13 550.168641 NA MeJP NA NA +MJ079914 4'-Hydroxyacetophenone; O-[4-Hydroxybenzoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C26H30O13 550.168641 NA MeJP NA NA +MJ079915 Castavinol C26H30O13 550.168641 NA MeJP NA NA +MJ079916 Dunnisinoside C26H30O13 550.168641 NA MeJP NA NA +MJ079917 Hydrangenol, 4'-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C26H30O13 550.168641 NA MeJP NA NA +MJ079918 Kingiside; 8-Epimer, 6'-O-(4-hydroxy-E-cinnamoyl) C26H30O13 550.168641 NA MeJP NA NA +MJ079919 Kingiside; 8-Epimer, 6'-O-(4-hydroxy-Z-cinnamoyl) C26H30O13 550.168641 NA MeJP NA NA +MJ079920 Scandoside; 6-O-(4-Hydroxycinnamoyl)(E-), Me ester C26H30O13 550.168641 NA MeJP NA NA +MJ079921 Scandoside; 6-O-(4-Hydroxycinnamoyl)(Z-), Me ester C26H30O13 550.168641 NA MeJP NA NA +MJ079922 Scandoside; 6-O-(4-Methoxycinnamoyl)(E-) C26H30O13 550.168641 NA MeJP NA NA +MJ079923 Swertiamarin; 4'-(4-Hydroxy-3-methoxycinnamoyl)(E-) C26H30O13 550.168641 NA MeJP NA NA +PJ004922 GNDDM C19H30N6O11S 550.1694 NA PeJP NA NA +PJ004923 SCNNN C18H30N8O10S 550.1806 NA PeJP NA NA +FL4DCBNC0001 Rel-5-hydroxy-7,4'-dimethoxy-2''S-(2,4,5-trimethoxy-E-styryl)-tetrahydrofuro[4''R,5''R:2,3]flavanonol C30H30O10 550.18389 412928-29-1 knapsack NA NA +FL4DCBNC0002 Rel-5-Hydroxy-7,4'-dimethoxy-3''S-(2,4,5-trimethoxy-Estyryl)tetrahydrofuro[4''R,5''R:2,3]flavanonol C30H30O10 550.18389 412956-25-3 knapsack NA NA +MJ079924 Erabulenol B C30H30O10 550.183897 NA MeJP NA NA +MJ079925 Phleichrome C30H30O10 550.183897 NA MeJP NA NA +MJ079926 Rocaglatic acid; 3'-Hydroxy, 1-Ac, Me ester C30H30O10 550.183897 NA MeJP NA NA +PJ004924 CNEW C23H30N6O8S 550.1846 NA PeJP NA NA +PJ004925 SSNDE C19H30N6O13 550.1871 NA PeJP NA NA +PJ004926 SPCNM C20H34N6O8S2 550.188 NA PeJP NA NA +MJ079927 Caeruleoside C C23H34O15 550.18977 NA MeJP NA NA +MJ079928 Geniposidic acid; 6'-O-?-D-Glucopyranosyl, Me ester C23H34O15 550.18977 NA MeJP NA NA +C16965 Genipin 1-beta-gentiobioside C23H34O15 550.1898 NA KEGG NA NA +MJ079929 5-Hydroxy-6-(4-hydroxy-3-methyl-1-oxobutyl)-2,2-dimethyl-10-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one, 4'-O-Cinnamoyl C34H30O7 550.199153 NA MeJP NA NA +MJ079930 5-Hydroxy-6-(4-hydroxy-3-methyl-1-oxobutyl)-8,8-dimethyl-4-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, 4'-O-Cinnamoyl C34H30O7 550.199153 NA MeJP NA NA +MJ079931 Raocyclamide A C27H30N6O5S 550.199838 NA MeJP NA NA +PJ004927 GCWW C27H30N6O5S 550.1999 NA PeJP NA NA +PJ004928 GSSDW C23H30N6O10 550.2024 NA PeJP NA NA +CJpos0819 Phenylacetylglutamine [(2M+Na)]+ C26H32N4NaO8 550.203375 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0819 Phenylacetylglutamine [(2M+Na)]+ C26H32N4NaO8 550.203375 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +CJneg0645 Phenylacetylglutamine [(2M-2H+Na)]- C26H30N4NaO8 550.204525 C18rt(min)=5.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0645 Phenylacetylglutamine [(2M-2H+Na)]- C26H30N4NaO8 550.204525 C18rt(min)=5.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +C10560 Eucommin A C27H34O12 550.205 NA KEGG NA NA +MJ079932 1,2,5,6,8-Pentahydroxyxanthone; 1,2,5,6-Tetra-Me ether, 8-O-(2,3,4,6-tetra-O-methyl-?-D-glucopyranoside) C27H34O12 550.205026 NA MeJP NA NA +MJ079933 1,3,4,5,8-Pentahydroxyxanthone; 3,4,5,8-Tetra-Me ether, 1-O-(2,3,4,6-tetra-O-methyl-?-D-glucopyranoside) C27H34O12 550.205026 NA MeJP NA NA +MJ079934 15,16-Epoxy-2,6-dihydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, 2-Ketone, 6-O-?-D-glucopyranoside, Me ester C27H34O12 550.205026 NA MeJP NA NA +MJ079935 3,3',4,4',8-Pentahydroxylignan-9,9'-olide, 3,3',4'-Tri-Me ether, 4-O-?-D-glucopyranoside C27H34O12 550.205026 NA MeJP NA NA +MJ079936 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,5',9,9'-hexol, 3',5,5'-Tri-Me ether, 4'-O-?-D-glucopyranoside C27H34O12 550.205026 NA MeJP NA NA +MJ079937 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Diacetoxy-2-methylbutanoyl), 9-Ac, Me ester C27H34O12 550.205026 NA MeJP NA NA +MJ079938 Medioresinol, 4'-O-?-D-Glucopyranoside C27H34O12 550.205026 NA MeJP NA NA +MJ079939 Medioresinol, 4-O-?-D-Glucopyranoside C27H34O12 550.205026 NA MeJP NA NA +PJ004929 GSQEM C20H34N6O10S 550.2057 NA PeJP NA NA +MJ079940 Asterriquinone D; 2',2''-Bis(3-methyl-2-butenyl), 7'-carboxy, di-O-de-Me C33H30N2O6 550.210386 NA MeJP NA NA +MJ079941 Cocsulinine; Di-N-de-Me C33H30N2O6 550.210386 NA MeJP NA NA +PJ004930 EEHH C22H30N8O9 550.2136 NA PeJP NA NA +PJ004931 GSCER C19H34N8O9S 550.217 NA PeJP NA NA +MJ079942 1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 6-Ketone, 1,9-dibenzoyl, 2-Ac C31H34O9 550.220282 NA MeJP NA NA +MJ079943 1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 2-Ketone, 8,9-dibenzoyl, 6-Ac C31H34O9 550.220282 NA MeJP NA NA +MJ079944 Lappaol B C31H34O9 550.220282 NA MeJP NA NA +C17685 Lappaol B C31H34O9 550.2203 NA KEGG NA NA +PJ004932 SQMW C24H34N6O7S 550.221 NA PeJP NA NA +PJ004933 SSTQE C20H34N6O12 550.2235 NA PeJP NA NA +PJ004934 AAQMM C21H38N6O7S2 550.2244 NA PeJP NA NA +PJ004935 GSNHH C21H30N10O8 550.2248 NA PeJP NA NA +MJ079945 1,1'-[[2,4-Bis(6-methoxy-1,3-benzodioxol-5-yl)-1,3-cyclobutanediyl]dicarbonyl]bispyrrolidine C30H34N2O8 550.231516 NA MeJP NA NA +PJ004936 SCRW C23H34N8O6S 550.2322 NA PeJP NA NA +PJ004937 SSSDR C19H34N8O11 550.2347 NA PeJP NA NA +PJ004938 NMMR C20H38N8O6S2 550.2356 NA PeJP NA NA +7670 ACE inhibitor from k-CN (76-80) PNSHP 550.2369 antioxidative Inhouse_peptide NA peptide +PJ004939 GSTTW C24H34N6O9 550.2387 NA PeJP NA NA +PJ004940 GGGPTY C24H34N6O9 550.2388 NA PeJP NA NA +MJ079946 2,4,8,9,14-Pentahydroxy-5,11(20)-briaradien-18,7-olide; 2,4,9,14-Tetra-Ac C28H38O11 550.241412 NA MeJP NA NA +MJ079947 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1,6,12,19-Tetra-Ac C28H38O11 550.241412 NA MeJP NA NA +MJ079948 6,7:17,18-Diepoxy-1(19),10(17),13-xenicatriene-8,11,12,18-tetrol; 20-Acetoxy, 11,12,18-tri-Ac C28H38O11 550.241412 NA MeJP NA NA +MJ079949 8,17-Epoxy-2,3,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-butanoyl, 3,14-di-Ac C28H38O11 550.241412 NA MeJP NA NA +MJ079950 8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-butanoyl, 4,14-di-Ac C28H38O11 550.241412 NA MeJP NA NA +MJ079951 8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-butanoyl, 9,14-di-Ac C28H38O11 550.241412 NA MeJP NA NA +MJ079952 8,17-Epoxy-2,9,12,14-tetrahydroxy-5-briaren-18,7-olide; Tetra-Ac C28H38O11 550.241412 NA MeJP NA NA +MJ079953 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl), 9-(2-methylbutanoyl), Me ester C28H38O11 550.241412 NA MeJP NA NA +MJ079954 Bruceanol A; 3,4?-Dihydro, 15-deacyl, 15-(3,4-dimethyl-2E-pentenoyl) C28H38O11 550.241412 NA MeJP NA NA +MJ079955 Bruceanol G; Deacetoxy C28H38O11 550.241412 NA MeJP NA NA +MJ079956 Helioxenicin A; 6-Ac C28H38O11 550.241412 NA MeJP NA NA +PJ004941 GSKEM C21H38N6O9S 550.2421 NA PeJP NA NA +PJ004942 NDFR C23H34N8O8 550.25 NA PeJP NA NA +MJ079957 Fantofarone C31H38N2O5S 550.250143 NA MeJP NA NA +MJ079958 Tetrahydro-4-(2-hydroxyethyl)-4-iodo-6-methyl-2H-pyran-2-one; Octadecanoyl C26H47IO4 550.251903 NA MeJP NA NA +PJ004943 GSTMR C20H38N8O8S 550.2534 NA PeJP NA NA +PJ004944 AQFW C28H34N6O6 550.254 NA PeJP NA NA +7323 celiac sprue gluten epitope from gamma-gliadin PQQQFPQTQ 550.2545 MH2+ Inhouse_peptide NA peptide +7329 celiac sprue gluten epitope from gamma-gliadin QFPQTQQPQ 550.2545 MH2+ Inhouse_peptide NA peptide +7339 celiac sprue gluten epitope from gamma-gliadin QQTFPQQPQ 550.2545 MH2+ Inhouse_peptide NA peptide +7342 celiac sprue gluten epitope from gamma-gliadin QTQQPQQPF 550.2545 MH2+ Inhouse_peptide NA peptide +7358 celiac sprue gluten epitope found in hordein PFPQQPQPY 550.2565 MH2+ Inhouse_peptide NA peptide +7368 celiac sprue gluten epitope found in hordein PQPYPQQPF 550.2565 MH2+ Inhouse_peptide NA peptide +7393 celiac sprue gluten epitope found in hordein* PFPQQPYPQ 550.2565 MH2+ Inhouse_peptide NA peptide +7402 celiac sprue gluten epitope found in secalin PYPQQPFPQ 550.2565 MH2+ Inhouse_peptide NA peptide +MJ079959 17-Hydroxyingenol; 17-Benzoyl, 20-angeloyl C32H38O8 550.256668 NA MeJP NA NA +PJ004945 SKMW C25H38N6O6S 550.2574 NA PeJP NA NA +PJ004946 SSTKE C21H38N6O11 550.2599 NA PeJP NA NA +PJ004947 GCLKM C22H42N6O6S2 550.2607 NA PeJP NA NA +PJ004948 AAKMM C22H42N6O6S2 550.2608 NA PeJP NA NA +MJ079960 9,13-Dihydroxy-4-megastigmen-3-one; 9-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C25H42O13 550.262541 NA MeJP NA NA +C12111 Manumycin A C31H38N2O7 550.2679 NA KEGG NA NA +MJ079961 Manumycin A C31H38N2O7 550.267901 NA MeJP NA NA +PJ004949 SSTTR C20H38N8O10 550.2711 NA PeJP NA NA +7331 celiac sprue gluten epitope from gamma-gliadin QLPFPQQPF 550.275 MH2+ Inhouse_peptide NA peptide +PJ004950 GSPKY C25H38N6O8 550.2751 NA PeJP NA NA +MJ079962 1,10-Epoxy-11-germacrene-3,4,5,8,9-pentol, 3,8-Diangeloyl, 5,9-di-Ac C29H42O10 550.277797 NA MeJP NA NA +MJ079963 1,10-Epoxy-11-germacrene-3,4,5,8,9-pentol, 3-Angeloyl, 8-(3-methyl-2-butenoyl), 5,9-di-Ac C29H42O10 550.277797 NA MeJP NA NA +MJ079964 2,12,14-Trihydroxy-9-oxo-5,7-briaradien-18-oic acid; 7?,8?-Epoxide, 2-butanoyl, 12,14-di-Ac, Me ester C29H42O10 550.277797 NA MeJP NA NA +MJ079965 2,3,5,12,14,20-Hexahydroxy-6,22-dioxostigmast-7-en-26,28-olide C29H42O10 550.277797 NA MeJP NA NA +MJ079966 3,14,16-Trihydroxy-19-oxo-5?H-card-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H42O10 550.277797 NA MeJP NA NA +MJ079967 3,14,17,19-Tetrahydroxycard-20(22)-enolide, 19-Aldehyde, 3-O-D-allomethyloside C29H42O10 550.277797 NA MeJP NA NA +MJ079968 3,14,17,19-Tetrahydroxycard-20(22)-enolide, 19-Aldehyde, 3-O-?-D-allomethyloside C29H42O10 550.277797 NA MeJP NA NA +MJ079969 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Glucopyranoside C29H42O10 550.277797 NA MeJP NA NA +MJ079970 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(2-Deoxy-?-D-arabino-hexopyranoside) C29H42O10 550.277797 NA MeJP NA NA +MJ079971 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(2-Deoxy-?-D-xylo-hexopyranoside) C29H42O10 550.277797 NA MeJP NA NA +MJ079972 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-?-D-allopyranoside) C29H42O10 550.277797 NA MeJP NA NA +MJ079973 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-?-D-glucopyranoside) C29H42O10 550.277797 NA MeJP NA NA +MJ079974 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-?-D-gulopyranoside) C29H42O10 550.277797 NA MeJP NA NA +MJ079975 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Rhamnopyranoside C29H42O10 550.277797 NA MeJP NA NA +MJ079976 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H42O10 550.277797 NA MeJP NA NA +MJ079977 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H42O10 550.277797 NA MeJP NA NA +MJ079978 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-(2S-Methylbutanoyl), 6,12-di-Ac C29H42O10 550.277797 NA MeJP NA NA +MJ079979 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-(2S-Methylbutanoyl), 6,19-di-Ac C29H42O10 550.277797 NA MeJP NA NA +MJ079980 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 12-(2S-Methylbutanoyl), 6,19-di-Ac C29H42O10 550.277797 NA MeJP NA NA +MJ079981 4,18-Epoxy-3,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 12-(2-Methylbutanoyl), 6,19-di-Ac C29H42O10 550.277797 NA MeJP NA NA +MJ079982 4,18-Epoxy-6,8,11,19-tetrahydroxy-13-cleroden-15,16-olide, 6-(2-Methylbutanoyl), 11,19-di-Ac C29H42O10 550.277797 NA MeJP NA NA +MJ079983 4,18:11,16:15,16-Triepoxy-1,3,6,19-clerodanetetrol, 1-Angeloyl, 6,19-di-Ac C29H42O10 550.277797 NA MeJP NA NA +MJ079984 4,18:11,16:15,16-Triepoxy-1,3,6,19-clerodanetetrol, 1-Tigloyl, 6,19-di-Ac C29H42O10 550.277797 NA MeJP NA NA +MJ079985 4,18:11,16:15,16-Triepoxy-14-clerodene-1,3,6,19-tetrol, 1-(2-Methylbutanoyl), 6,19-di-Ac C29H42O10 550.277797 NA MeJP NA NA +MJ079986 4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 3-(2-Methylbutanoyl), 6,19-di-Ac C29H42O10 550.277797 NA MeJP NA NA +MJ079987 4,18:8,13-Diepoxy-6,7,19-trihydroxy-15,16-clerodanolide, 6-(2S-Methylbutanoyl), 7,19-di-Ac C29H42O10 550.277797 NA MeJP NA NA +MJ079988 7,8-Epoxy-3,12,14-trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-allopyranoside) C29H42O10 550.277797 NA MeJP NA NA +MJ079989 Erysium Aglucone; O-(6-Deoxyglucoside) C29H42O10 550.277797 NA MeJP NA NA +MJ079990 Gomphoside; 15?,17?-Dihydroxy C29H42O10 550.277797 NA MeJP NA NA +MJ079991 Gomphoside; 15?,17?-Dihydroxy C29H42O10 550.277797 NA MeJP NA NA +MJ079992 Gomphoside; 3'-Epimer, 15?,17?-dihydroxy C29H42O10 550.277797 NA MeJP NA NA +MJ079993 Gomphoside; 4'?,15?-Dihydroxy C29H42O10 550.277797 NA MeJP NA NA +C08843 Adonitoxin C29H42O10 550.2778 NA KEGG NA NA +C08850 Aspecioside C29H42O10 550.2778 NA KEGG NA NA +C08858 Convallatoxin C29H42O10 550.2778 NA KEGG NA NA +PJ004951 ATTKM C22H42N6O8S 550.2785 NA PeJP NA NA +MJ079994 Aphelandrine, N6-Acetoxy C30H38N4O6 550.279134 NA MeJP NA NA +PJ004952 VNRY C24H38N8O7 550.2864 NA PeJP NA NA +PJ004953 AKFW C29H38N6O5 550.2904 NA PeJP NA NA +MJ079995 4(20),11-Taxadiene-5,9,10,13-tetrol, 5-Cinnamoyl, 9,10-di-Ac C33H42O7 550.293053 NA MeJP NA NA +MJ079996 Plukenetione C C33H42O7 550.293053 NA MeJP NA NA +PJ004954 TTTTK C22H42N6O10 550.2963 NA PeJP NA NA +MJ079997 3,23-Dihydroxy-29-norcycloart-24-en-28-oic acid, 23-Ketone, 3-O-sulfate, 28-Me ester C30H46O7S 550.296424 NA MeJP NA NA +MJ079998 3,23-Dihydroxy-29-norlanosta-8,24-dien-28-oic acid, 23-Ketone, 3-O-sulfate, 28-Me ester C30H46O7S 550.296424 NA MeJP NA NA +PJ004955 GRRY C23H38N10O6 550.2976 NA PeJP NA NA +2661 synthetic fr, of human beta-CN (139-143) ACE inhibitor PQPIP 550.298 NA Inhouse_peptide NA peptide +C08307 Hordatine A C28H38N8O4 550.3016 NA KEGG NA NA +MJ079999 Rescinnaminol C32H42N2O6 550.304287 NA MeJP NA NA +PJ004956 LQKY C26H42N6O7 550.3115 NA PeJP NA NA +MJ080000 1,10-Epoxy-11-germacrene-2,3,4,5,8,9-hexol, 2-Deoxy, 3,9-diangeloyl, 8-(2-methylbutanoyl) C30H46O9 550.314183 NA MeJP NA NA +MJ080001 1,3,14-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-talopyranoside) C30H46O9 550.314183 NA MeJP NA NA +MJ080002 1,3,14-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-talopyranoside) C30H46O9 550.314183 NA MeJP NA NA +MJ080003 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-galactopyranoside) C30H46O9 550.314183 NA MeJP NA NA +MJ080004 3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-(2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside) C30H46O9 550.314183 NA MeJP NA NA +MJ080005 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-glucopyranoside) C30H46O9 550.314183 NA MeJP NA NA +MJ080006 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-galactopyranoside) C30H46O9 550.314183 NA MeJP NA NA +MJ080007 3,14,19-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside) C30H46O9 550.314183 NA MeJP NA NA +MJ080008 3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-D-ribo-hexopyranoside) C30H46O9 550.314183 NA MeJP NA NA +MJ080009 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(3-O-Methyl-?-D-fucopyranoside) C30H46O9 550.314183 NA MeJP NA NA +MJ080010 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-galactopyranoside) C30H46O9 550.314183 NA MeJP NA NA +MJ080011 3,7-Dolabelladiene-2,16,18-triol, 16-(3-Hydroxy-3-methylglutaryl), 2,18-di-Ac C30H46O9 550.314183 NA MeJP NA NA +MJ080012 3,8,14-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside) C30H46O9 550.314183 NA MeJP NA NA +MJ080013 Arriagoside C30H46O9 550.314183 NA MeJP NA NA +MJ080014 Sanjoinine B; 15-Hydroxy, N24-Me C31H42N4O5 550.31552 NA MeJP NA NA +MJ080015 Scutianine H C31H42N4O5 550.31552 NA MeJP NA NA +PJ004957 TKFR C25H42N8O6 550.3228 NA PeJP NA NA +MJ080016 Antibiotic VM 54339 C34H46O6 550.329439 NA MeJP NA NA +MJ080017 4,4-Dimethylergosta-7,9(11),24(28)-triene-2,3,12-triol, 12-Me ether, 3-O-sulfate C31H50O6S 550.33281 NA MeJP NA NA +MJ080018 3,20-Diaminopregnane-2,4-diol, N20,N20-Di-Me, N3-phthalimide, 4-Ac C33H46N2O5 550.340672 NA MeJP NA NA +PJ004958 LKKY C27H46N6O6 550.3479 NA PeJP NA NA +MJ080019 3-Hydroxychol-5-en-24-oic acid, 3-O-?-D-Glucopyranoside, Me ester C31H50O8 550.350568 NA MeJP NA NA +MJ080020 5-Hydroxy-14-oxo-3-cedren-15-oic acid, 4-(9R,10S,16-Trihydroxyhexadecanoyl) C31H50O8 550.350568 NA MeJP NA NA +MJ080021 7,13-Labdadiene-2,3,15-triol, 3-Angeloyl, 2-O-?-L-rhamnopyranoside C31H50O8 550.350568 NA MeJP NA NA +MJ080022 Antibiotic AB 023; Antibiotic AB 023A C31H50O8 550.350568 NA MeJP NA NA +MJ080023 Blancasterol C31H50O8 550.350568 NA MeJP NA NA +MJ080024 Manzamine A, 3,4-Dihydro C36H46N4O 550.367162 NA MeJP NA NA +MJ080025 Manzamine B C36H46N4O 550.367162 NA MeJP NA NA +MJ080026 Manzamine J C36H46N4O 550.367162 NA MeJP NA NA +MJ080027 20,24-Epoxydammarane-3,12,17,25-tetrol, 12-Ac C32H54O7 550.386954 NA MeJP NA NA +MJ080028 Predehydrovenustatriol; 18-Ac C32H54O7 550.386954 NA MeJP NA NA +MJ080029 Raspacionin; 15,21-Dideacetyl, 10,28-dihydro, 10?-acetoxy, 4-ketone C32H54O7 550.386954 NA MeJP NA NA +MJ080030 Haliclotriol B C36H54O4 550.40221 NA MeJP NA NA +MJ080031 Cyclomicrophylline I; 6,7-Dihydro, N-tetra-Me, O16-benzoyl C35H54N2O3 550.413443 NA MeJP NA NA +MJ080032 20-Lycopenal C40H54O 550.417466 NA MeJP NA NA +MJ080033 4-Keto-?-carotene C40H54O 550.417466 NA MeJP NA NA +MJ080034 ?,?-Caroten-2-one C40H54O 550.417466 NA MeJP NA NA +MJ080035 ?,?-Caroten-2-ol; 2-Ketone C40H54O 550.417466 NA MeJP NA NA +MJ080036 ?,?-Caroten-4-one C40H54O 550.417466 NA MeJP NA NA +MJ080037 Celaxanthin C40H54O 550.417466 NA MeJP NA NA +MJ080038 Chlorobactene; 1',2'-Dihydro, 1'-hydroxy C40H54O 550.417466 NA MeJP NA NA +MJ080039 Echinenone C40H54O 550.417466 NA MeJP NA NA +MJ080040 Monadoxanthin; 3'-Deoxy C40H54O 550.417466 NA MeJP NA NA +MJ080041 Rhodopinol; 1-Deoxy, 3,4-didehydro, 20-aldehyde C40H54O 550.417466 NA MeJP NA NA +HMDB02890 cis-3-hydroxy-b,e-Caroten-3'-one C40H54O 550.41748 http://www.hmdb.ca/metabolites/HMDB02890 HMDB NA NA +HMDB02890 cis-3-hydroxy-b,e-Caroten-3'-one C40H54O 550.41748 HMDB02890 PFEM_hmdb_metabocards_official NA NA +HMDB02890 3-cis-Hydroxy-b,e-Caroten-3'-one C40H54O 550.41748 NA HMDB2010 NA NA +C08592 Echinenone C40H54O 550.4175 NA KEGG NA NA +C15911 Hydroxychlorobactene C40H54O 550.4175 NA KEGG NA NA +C15912 Granuliberin R C40H54O 550.4175 NA KEGG NA NA +C15913 HA Peptide C40H54O 550.4175 NA KEGG NA NA +C13864 1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol C35H66O4 550.4961 NA KEGG NA NA +C13865 Transferred to D02591 C35H66O4 550.4961 NA KEGG NA NA +C13866 Transferred to D02592 C35H66O4 550.4961 NA KEGG NA NA +MJ080042 Artemoin A C35H66O4 550.49611 NA MeJP NA NA +MJ080043 Artemoin B C35H66O4 550.49611 NA MeJP NA NA +MJ080044 Artemoin C C35H66O4 550.49611 NA MeJP NA NA +MJ080045 Artemoin D C35H66O4 550.49611 NA MeJP NA NA +MJ080046 Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 1'-O-Hexadecanoyl C35H66O4 550.49611 NA MeJP NA NA +MJ080047 Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 3-O-Hexadecanoyl C35H66O4 550.49611 NA MeJP NA NA +MJ080048 Octenidine C36H62N4 550.497448 NA MeJP NA NA +MJ080049 Eicosanoic acid; Heptadecyl ester C37H74O2 550.568881 NA MeJP NA NA +MJ080050 1-Octatriacontanol C38H78O 550.605267 NA MeJP NA NA +3579 NA SIQSQPQAFP 550.7655 MH2+ Inhouse_peptide NA peptide +7067 coeliac toxic peptide PYPQPQLPY 550.767 MH2+ Inhouse_peptide NA peptide +2633 synthetic fr, of human beta-CN (44-52) ACE inhibitor FQPQPLIYP 550.7855 MH2+ Inhouse_peptide NA peptide +MJ080051 Bufeniode C19H23I2NO2 550.981815 NA MeJP NA NA +HMDB03369 CDP-glucose C14H23N3O16P2 551.05536 http://www.hmdb.ca/metabolites/HMDB03369 HMDB NA NA +HMDB03369 CDP-glucose C14H23N3O16P2 551.05536 HMDB03369 PFEM_hmdb_metabocards_official NA NA +FL7AAGGL0016 Delphinidin 3-(6''-malonylglucoside) C24H23O15 551.10369 122856-09-1 knapsack NA NA +FL7AECGL0003 6-Hydroxycyanidin 3-(6-malonylglucoside) C24H23O15 551.10369 356536-38-4 knapsack NA NA +C16301 Delphinidin 3-O-(6-O-malonyl-beta-D-glucoside) C24H23O15 551.1037 NA KEGG NA NA +MJ080052 Pradimicin P C27H21NO12 551.106375 NA MeJP NA NA +C06778 11-O-Demethylpradimicinone II C27H21NO12 551.1064 NA KEGG NA NA +MJ080053 Bulgecin A C16H29N3O14S2 551.109094 NA MeJP NA NA +PJ004959 SCCCH C18H29N7O7S3 551.1291 NA PeJP NA NA +PJ004960 PCCDD C19H29N5O10S2 551.1356 NA PeJP NA NA +MJ080054 N-Acetyl-N6,N6,O-tridemethylpuromycin-5'-phosphate C21H26N7O9P 551.152962 NA MeJP NA NA +C07028 N-Acetyl-N6,N6,O-tridemethylpuromycin-5'-phosphate C21H26N7O9P 551.153 NA KEGG NA NA +PJ004961 GDDDM C19H29N5O12S 551.1534 NA PeJP NA NA +PJ004962 SCNND C18H29N7O11S 551.1646 NA PeJP NA NA +PJ004963 CDEW C23H29N5O9S 551.1686 NA PeJP NA NA +PJ004964 SSDDE C19H29N5O14 551.1711 NA PeJP NA NA +PJ004965 SPCDM C20H33N5O9S2 551.172 NA PeJP NA NA +PJ004966 GCNQM C19H33N7O8S2 551.1832 NA PeJP NA NA +MJ080055 Bosentan C27H29N5O6S 551.183854 NA MeJP NA NA +MJ080056 Aureonuclemycin; O9-Me, O4-(2-hydroxymethyl-2E-butenoyl), Me ester C23H29N5O11 551.186356 NA MeJP NA NA +PJ004967 GSEEM C20H33N5O11S 551.1898 NA PeJP NA NA +PJ004968 APCMM C21H37N5O6S3 551.1906 NA PeJP NA NA +PJ004969 GCCNR C18H33N9O7S2 551.1945 NA PeJP NA NA +MJ080057 Ipecosidic acid C26H33NO12 551.200275 NA MeJP NA NA +MJ080058 Simmondsin; 2'-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) C26H33NO12 551.200275 NA MeJP NA NA +PJ004970 SSNNM C19H33N7O10S 551.201 NA PeJP NA NA +PJ004971 SEMW C24H33N5O8S 551.205 NA PeJP NA NA +CJpos0820 Phenylacetylglutamine [(2M+Na)]+ (13C) C2513CH32N4NaO8 551.206775 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0820 Phenylacetylglutamine [(2M+Na)]+ (13C) C2513CH32N4NaO8 551.206775 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +PJ004972 SSTEE C20H33N5O13 551.2075 NA PeJP NA NA +PJ004973 AAEMM C21H37N5O8S2 551.2084 NA PeJP NA NA +PJ004974 GSDHH C21H29N9O9 551.2089 NA PeJP NA NA +MJ080059 Saredutant C31H35Cl2N3O2 551.210632 NA MeJP NA NA +MJ080060 Astin I C25H34ClN5O7 551.214676 NA MeJP NA NA +MJ080061 8-(4-Hydroxybenzyl)-2-methoxy-3,10,11-berbintriol, O10-?-Xylopyranoside C30H33NO9 551.215531 NA MeJP NA NA +MJ080062 8-(4-Hydroxybenzyl)-2-methoxy-3,9,10-berbintriol; 8?-form, O10-?-Xylopyranoside C30H33NO9 551.215531 NA MeJP NA NA +MJ080063 Jacpaniculine C30H33NO9 551.215531 NA MeJP NA NA +MJ080064 Neoharringtonine; 1''S-Hydroxy C30H33NO9 551.215531 NA MeJP NA NA +MJ080065 Asperlicin; 1'-Hydroxy C31H29N5O5 551.216869 NA MeJP NA NA +PJ004975 GSSSSQ C19H33N7O12 551.2187 NA PeJP NA NA +PJ004976 DMMR C20H37N7O7S2 551.2196 NA PeJP NA NA +PJ004977 PCFW C28H33N5O5S 551.2203 NA PeJP NA NA +PJ004978 GSPEY C24H33N5O10 551.2228 NA PeJP NA NA +PJ004979 CLMW C25H37N5O5S2 551.2236 NA PeJP NA NA +2732 regulating the frequency of heart muscles contraction peptide GWFGGADWHA 551.22395 MH2+ Inhouse_peptide NA peptide +PJ004980 ATTEM C21H37N5O10S 551.2261 NA PeJP NA NA +PJ004981 QMHH C22H33N9O6S 551.2275 NA PeJP NA NA +PJ004982 NQQY C23H33N7O9 551.234 NA PeJP NA NA +PJ004983 SSCQK C20H37N7O9S 551.2374 NA PeJP NA NA +PJ004984 SPYW C28H33N5O7 551.238 NA PeJP NA NA +PJ004985 CHHR C21H33N11O5S 551.2387 NA PeJP NA NA +PJ004986 AAPMY C25H37N5O7S 551.2414 NA PeJP NA NA +PJ004987 TTTTE C21H37N5O12 551.2439 NA PeJP NA NA +PJ004988 GTLMM C22H41N5O7S2 551.2448 NA PeJP NA NA +PJ004989 GTTHH C22H33N9O8 551.2452 NA PeJP NA NA +MJ080066 Alkaloid GB11; 13?-Benzoyloxy C31H37NO8 551.251917 NA MeJP NA NA +PJ004990 APPMH C24H37N7O6S 551.2526 NA PeJP NA NA +PJ004991 GSSSSK C20H37N7O11 551.2551 NA PeJP NA NA +PJ004992 ACCKK C21H41N7O6S2 551.256 NA PeJP NA NA +PJ004993 LQEY C25H37N5O9 551.2591 NA PeJP NA NA +PJ004994 GALEY C25H37N5O9 551.2592 NA PeJP NA NA +PJ004995 STTLM C22H41N5O9S 551.2625 NA PeJP NA NA +PJ004996 KMHH C23H37N9O5S 551.2639 NA PeJP NA NA +7347 celiac sprue gluten epitope found in glutenin QQPIQQQPH 551.268 MH2+ Inhouse_peptide NA peptide +PJ004997 VDRY C24H37N7O8 551.2704 NA PeJP NA NA +PJ004998 SSCKK C21H41N7O8S 551.2738 NA PeJP NA NA +PJ004999 ALYW C29H37N5O6 551.2744 NA PeJP NA NA +PJ005000 AALMF C26H41N5O6S 551.2778 NA PeJP NA NA +PJ005001 GPNKH C23H37N9O7 551.2816 NA PeJP NA NA +MJ080067 Lemonomycin C27H41N3O9 551.284279 NA MeJP NA NA +PJ005002 PLHW C28H37N7O5 551.2856 NA PeJP NA NA +PJ005003 VMFR C25H41N7O5S 551.289 NA PeJP NA NA +PJ005004 LKEY C26H41N5O8 551.2955 NA PeJP NA NA +EUR905 Lyso PE 22:4 [M+Na]+ C27H48NO7P 551.298788 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR905 Lyso PE 22:4 [M+Na]+ C27H48NO7P 551.298788 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR905 Lyso PE 22:4 [M+Na]+ C27H48NO7P 551.298788 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR905 Lyso PE 22:4 [M+Na]+ C27H48NO7P 551.298788 masses lipides attendues Inhousejuil11 NA NA +PJ005005 TLRY C25H41N7O7 551.3068 NA PeJP NA NA +MJ080068 Veracevine; O3-Ac C29H45NO9 551.309432 NA MeJP NA NA +EUR717 LysoPE(20:2) [M+FA-H]- C25H48NO7P 551.321722 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR872 Lyso PE 20:2 [M+FA-H]- C25H48NO7P 551.321722 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR717 LysoPE(20:2) [M+FA-H]- C25H48NO7P 551.321722 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR872 Lyso PE 20:2 [M+FA-H]- C25H48NO7P 551.321722 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR717 LysoPE(20:2) [M+FA-H]- C25H48NO7P 551.321722 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR872 Lyso PE 20:2 [M+FA-H]- C25H48NO7P 551.321722 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR717 LysoPE(20:2) [M+FA-H]- C25H48NO7P 551.321722 masses lipides attendues Inhousejuil11 NA NA +EUR872 Lyso PE 20:2 [M+FA-H]- C25H48NO7P 551.321722 masses lipides attendues Inhousejuil11 NA NA +PJ005006 GLLLH C26H45N7O6 551.3432 NA PeJP NA NA +MJ080069 Browniine; O14-(2-Methylbutanoyl) C30H49NO8 551.345817 NA MeJP NA NA +MJ080070 O-Deethyltalaroconvolutin C; 4'-Et ether C34H49NO5 551.361073 NA MeJP NA NA +PJ005007 PPLLL C28H49N5O6 551.3683 NA PeJP NA NA +MJ080071 Juvenimicin B1; 20-Deoxy C31H53NO7 551.382203 NA MeJP NA NA +MJ080072 Aliskiren C30H53N3O6 551.393436 NA MeJP NA NA +HMDB10390 LysoPC(20:0) C28H58NO7P 551.395081 NA HMDB2010 NA NA +MJ080073 1-O-Octadecylglycero-3-phosphocholine, 2-Ac C28H58NO7P 551.395089 NA MeJP NA NA +EUR739 Lyso PC 20:0 monoisotopic mass C28H58NO7P 551.395092 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR739 Lyso PC 20:0 monoisotopic mass C28H58NO7P 551.395092 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR739 Lyso PC 20:0 monoisotopic mass C28H58NO7P 551.395092 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR739 Lyso PC 20:0 monoisotopic mass C28H58NO7P 551.395092 masses lipides attendues Inhousejuil11 NA NA +MJ080074 Dosergoside C34H53N3O3 551.408692 NA MeJP NA NA +MJ080075 3-Methyl-2-[6-(3-methyl-2-butenyl)-1H-indol-3-yl]-1,3-butanediol, O2'-(9Z-Octadecenoyl) C36H57NO3 551.433844 NA MeJP NA NA +MJ080076 N-[14-Methyl-3-(13-methyl-4-tetradecenoyloxy)pentadecanoyl]glycine C33H61NO5 551.454974 NA MeJP NA NA +7505 ACE inhibitor SKVYPFPGPI 551.793 MH2+ Inhouse_peptide NA peptide +MJ080077 3,3',4',5,5',7-Hexahydroxyflavanone, 3-O-(3,4,5-Trihydroxybenzoyl), 3'-sulfate C22H16O15S 552.02099 NA MeJP NA NA +FL4DAGNSS001 Myricatin C22H16O15S 552.02099 87338-96-3 knapsack NA NA +MJ080078 ?-Rubromycin; 3,4-Epoxy, 3'-hydroxy C26H16O14 552.054005 NA MeJP NA NA +MJ080079 ?-Rubromycin; 3'-Hydroxy C27H20O13 552.09039 NA MeJP NA NA +MJ080080 Theaflagallin; 3-Epimer, 3-O-(3,4,5-trihydroxybenzoyl) C27H20O13 552.09039 NA MeJP NA NA +MJ080081 8,8-Bi(4',5,7-trihydroxyflavone); 4'-Me ether C31H20O10 552.105646 NA MeJP NA NA +MJ080082 8,8-Bi(4',5,7-trihydroxyflavone); 7-Me ether C31H20O10 552.105646 NA MeJP NA NA +MJ080083 Agathisflavone; 7''-Me ether C31H20O10 552.105646 NA MeJP NA NA +MJ080084 Agathisflavone; 7-Me ether C31H20O10 552.105646 NA MeJP NA NA +MJ080085 Amentoflavone; 4'''-Me ether C31H20O10 552.105646 NA MeJP NA NA +MJ080086 Amentoflavone; 4'-Me ether C31H20O10 552.105646 NA MeJP NA NA +MJ080087 Amentoflavone; 7''-Me ether C31H20O10 552.105646 NA MeJP NA NA +MJ080088 Amentoflavone; 7-Me ether C31H20O10 552.105646 NA MeJP NA NA +MJ080089 Hinokiflavone; 4'''-Me ether C31H20O10 552.105646 NA MeJP NA NA +MJ080090 Hinokiflavone; 7''-Me ether C31H20O10 552.105646 NA MeJP NA NA +MJ080091 Hinokiflavone; 7-Me ether C31H20O10 552.105646 NA MeJP NA NA +MJ080092 Ochnaflavone; 4'-Me ether C31H20O10 552.105646 NA MeJP NA NA +MJ080093 Ochnaflavone; 7''-Me ether C31H20O10 552.105646 NA MeJP NA NA +MJ080094 Robustaflavone; 4'''-Me ether C31H20O10 552.105646 NA MeJP NA NA +MJ080095 Robustaflavone; 7''-Me ether C31H20O10 552.105646 NA MeJP NA NA +MJ080096 Taiwaniaflavone; 7''-Me ether C31H20O10 552.105646 NA MeJP NA NA +FL3FAACS0032 Vitexin 2''-p-hydroxybenzoate C28H24O12 552.12677 10576-90-6 knapsack NA NA +FL3FACGS0081 Luteolin 7-(6''-p-benzoyglucoside) C28H24O12 552.12677 - knapsack NA NA +MJ080097 Astragalin; O''-Benzoyl C28H24O12 552.126776 NA MeJP NA NA +MJ080098 Furfuric acid C28H24O12 552.126776 NA MeJP NA NA +MJ080099 Salvianolic acid I; 8''Z-Isomer, 8''-Me ester C28H24O12 552.126776 NA MeJP NA NA +MJ080100 Vitexin; 2''-O-(4-Hydroxybenzoyl) C28H24O12 552.126776 NA MeJP NA NA +MJ080101 Floribundone 2 C32H24O9 552.142032 NA MeJP NA NA +FL5FEGGS0001 6-Hydroxymyricetin 3,6,3',5'-tetramethyl ether 7-glucoside C25H28O14 552.1479 67963-63-7 knapsack NA NA +FL5FELGS0001 5,2',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone 5'-glucoside C25H28O14 552.1479 71827-15-1 knapsack NA NA +MJ080102 1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 2-O-[?-L-rhamnopyranosyl-(1?2)-?-D-xylopyranoside] C25H28O14 552.147905 NA MeJP NA NA +MJ080103 1,3,7-Trihydroxyxanthone; 3-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C25H28O14 552.147905 NA MeJP NA NA +MJ080104 1,3,7-Trihydroxyxanthone; 3-Me ether, 7-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C25H28O14 552.147905 NA MeJP NA NA +MJ080105 1,3,7-Trihydroxyxanthone; 7-Me ether, 3-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C25H28O14 552.147905 NA MeJP NA NA +MJ080106 2',3,4',5,5',6,7-Heptahydroxyflavone; 3,4',6,7-Tetra-Me ether, 5'-O-?-D-glucopyranoside C25H28O14 552.147905 NA MeJP NA NA +MJ080107 3',4',5,7-Tetrahydroxyflavanone, 7-O-[?-D-Xylopyranosyl-(1?4)-?-D-arabinopyranoside] C25H28O14 552.147905 NA MeJP NA NA +MJ080108 3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',5',6-Tetra-Me ether, 7-O-?-D-glucopyranoside C25H28O14 552.147905 NA MeJP NA NA +MJ080109 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',5,6,8-Tetra-Me ether, 3-O-?-D-glucopyranoside C25H28O14 552.147905 NA MeJP NA NA +MJ080110 Clitoriacetal; 11-O-?-D-Glucopyranoside C25H28O14 552.147905 NA MeJP NA NA +MJ080111 Ibotalactone A; 3''-Hydroxy C25H28O14 552.147905 NA MeJP NA NA +PJ005008 SCNDD C18H28N6O12S 552.1486 NA PeJP NA NA +PJ005009 PCCCQ C19H32N6O7S3 552.1495 NA PeJP NA NA +FL3FAACC0001 Cucumerin B C29H28O11 552.16316 613254-11-8 knapsack NA NA +FL3FAACC0002 Cucumerin A;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[1-(4-hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one C29H28O11 552.16316 613253-63-7 knapsack NA NA +MJ080112 2,5-Dihydroxybenzyl alcohol; 2-O-[6-O-Benzoyl-2-O-(4-hydroxycinnamoyl)-?-D-glucopyranoside] C29H28O11 552.163161 NA MeJP NA NA +PJ005010 GCNEM C19H32N6O9S2 552.1672 NA PeJP NA NA +PJ005011 GGGCEM C19H32N6O9S2 552.1673 NA PeJP NA NA +MJ080113 Forsythide; 11-O-?-D-Glucopyranosyl ester C22H32O16 552.169034 NA MeJP NA NA +MJ080114 Ranunculoside C22H32O16 552.169034 NA MeJP NA NA +MJ080115 Kinamycin F; 2,4-Bis-O-(2-methylpropanoyl), 1-Ac C28H28N2O10 552.174395 NA MeJP NA NA +PJ005012 GCCDR C18H32N8O8S2 552.1785 NA PeJP NA NA +C08087 Delavirdine mesylate C22H28N6O3S 552.1825 NA KEGG NA NA +PJ005013 CNMW C23H32N6O6S2 552.1825 NA PeJP NA NA +MJ080116 1-(4-Hydroxyphenyl)-2-(2,3,5-trihydroxyphenyl)ethylene; 2-O-?-D-Glucopyranoside, 3-O-?-L-rhamnopyranoside C26H32O13 552.184291 NA MeJP NA NA +MJ080117 10-Hydroxyloganic acid; 10-O-(4-Hydroxycinnamoyl)(E-), Me ester C26H32O13 552.184291 NA MeJP NA NA +MJ080118 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2'-O-[Xylosyl-(1??)-?-D-glucopyranoside] C26H32O13 552.184291 NA MeJP NA NA +MJ080119 5-Hydroxysecologanol; 7-O-(4-Hydroxycinnamoyl) C26H32O13 552.184291 NA MeJP NA NA +MJ080120 6-Hydroxyloganin; 7-O-(4-Hydroxycinnamoyl)(E-) C26H32O13 552.184291 NA MeJP NA NA +MJ080121 Grandifloroside; 3'-Me ether C26H32O13 552.184291 NA MeJP NA NA +MJ080122 Grandifloroside; Me ester C26H32O13 552.184291 NA MeJP NA NA +MJ080123 Haenkeanoside C26H32O13 552.184291 NA MeJP NA NA +MJ080124 Harpagide; 6'-O-(4-Hydroxycinnamoyl)(E-), 8-Ac C26H32O13 552.184291 NA MeJP NA NA +MJ080125 Harpagide; 6'-O-(4-Hydroxycinnamoyl)(Z-), 8-Ac C26H32O13 552.184291 NA MeJP NA NA +MJ080126 Lamiide; 7-Cinnamoyl(E-) C26H32O13 552.184291 NA MeJP NA NA +MJ080127 Lamiide; 7-Cinnamoyl(Z-) C26H32O13 552.184291 NA MeJP NA NA +MJ080128 Loganic acid; 2'-(4-Hydroxy-3-methoxycinnamoyl)(E-) C26H32O13 552.184291 NA MeJP NA NA +MJ080129 Loganic acid; 7-(3,4-Dihydroxycinnamoyl)(E-), Me ester C26H32O13 552.184291 NA MeJP NA NA +MJ080130 Loganic acid; 7-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) C26H32O13 552.184291 NA MeJP NA NA +MJ080131 Loganic acid; 7-O-(4-Hydroxy-3-methoxycinnamoyl)(Z-) C26H32O13 552.184291 NA MeJP NA NA +MJ080132 Mussaenosidic acid; 6'-(3,4-Dihydroxycinnamoyl), Me ester C26H32O13 552.184291 NA MeJP NA NA +MJ080133 Neophellamuretin, 2'',3''-Dihydro, 2'',3''-dihydroxy, 7-O-?-D-glucopyranoside C26H32O13 552.184291 NA MeJP NA NA +MJ080134 Officinosidic acid C26H32O13 552.184291 NA MeJP NA NA +MJ080135 Syringaresinol, 5,5'-Di-O-de-Me, 4-O-?-D-glucopyranoside C26H32O13 552.184291 NA MeJP NA NA +PJ005014 SSNDM C19H32N6O11S 552.185 NA PeJP NA NA +PJ005015 PCCCK C20H36N6O6S3 552.1859 NA PeJP NA NA +MJ080136 Elisartan C27H29ClN6O5 552.188795 NA MeJP NA NA +MJ080137 Arctignan C C30H32O10 552.199547 NA MeJP NA NA +MJ080138 Herpetrione C30H32O10 552.199547 NA MeJP NA NA +MJ080139 Lappaol C; 7''-Ketone C30H32O10 552.199547 NA MeJP NA NA +MJ080140 Saussol C30H32O10 552.199547 NA MeJP NA NA +MJ080141 Thielavin D C30H32O10 552.199547 NA MeJP NA NA +MJ080142 Trivaric acid C30H32O10 552.199547 NA MeJP NA NA +PJ005016 GSTCW C23H32N6O8S 552.2003 NA PeJP NA NA +PJ005017 ASSSSD C19H32N6O13 552.2027 NA PeJP NA NA +PJ005018 GSSSSE C19H32N6O13 552.2028 NA PeJP NA NA +PJ005019 GSQMM C20H36N6O8S2 552.2036 NA PeJP NA NA +MJ080143 Trivalvone C36H28N2O4 552.204907 NA MeJP NA NA +MJ080144 3,7-Dihydroxycholan-24-oic acid, 3,7-Disulfate C24H40O10S2 552.206288 NA MeJP NA NA +HMDB00545 Chenodeoxycholic acid disulfate C24H40O10S2 552.206299 NA HMDB2010 NA NA +HMDB00659 Deoxycholic acid disulfate C24H40O10S2 552.206299 NA HMDB2010 NA NA +HMDB00659 Deoxycholic acid disulfate C24H40O10S2 552.2063 http://www.hmdb.ca/metabolites/HMDB00659 HMDB NA NA +HMDB00659 Deoxycholic acid disulfate C24H40O10S2 552.2063 HMDB00659 PFEM_hmdb_metabocards_official NA NA +PJ005020 EEEF C24H32N4O11 552.2068 NA PeJP NA NA +PJ005021 EMHH C22H32N8O7S 552.2115 NA PeJP NA NA +MJ080145 Haterumalide NE; 3-Ac, 2-methylene-3-oxobutyl ester C28H37ClO9 552.21261 NA MeJP NA NA +MJ080146 5,7-Dihydroxy-6-(4-hydroxy-3-methyl-1-oxobutyl)-8-(3-methyl-2-butenyl)-4-phenyl-2H-1-benzopyran-2-one, 4'-O-Cinnamoyl C34H32O7 552.214803 NA MeJP NA NA +MJ080147 Iryantherin D C34H32O7 552.214803 NA MeJP NA NA +PJ005022 GSCMR C19H36N8O7S2 552.2149 NA PeJP NA NA +PJ005023 CHFF C27H32N6O5S 552.2155 NA PeJP NA NA +MJ080148 Ozemycin C C23H32N6O10 552.217991 NA MeJP NA NA +PJ005024 SSSSW C23H32N6O10 552.218 NA PeJP NA NA +C12937 Clocapramine dihydrochloride C28H37ClN4O 552.2189 NA KEGG NA NA +C12938 Transferred to D01490 C28H37ClN4O 552.2189 NA KEGG NA NA +C12939 Transferred to D01491 C28H37ClN4O 552.2189 NA KEGG NA NA +C12940 Transferred to D01492 C28H37ClN4O 552.2189 NA KEGG NA NA +C12941 Transferred to D01493 C28H37ClN4O 552.2189 NA KEGG NA NA +C12942 Paraformaldehyde C28H37ClN4O 552.2189 NA KEGG NA NA +C12943 Transferred to D01495 C28H37ClN4O 552.2189 NA KEGG NA NA +C12944 Transferred to D01496 C28H37ClN4O 552.2189 NA KEGG NA NA +C12945 Transferred to D01497 C28H37ClN4O 552.2189 NA KEGG NA NA +MJ080149 15,16-Epoxy-2,12-dihydroxy-3,13(16),14-clerodatrien-17,6-olid-18-oic acid, 12-O-?-D-Glucopyranoside, Me ester C27H36O12 552.220676 NA MeJP NA NA +MJ080150 15,16-Epoxy-2,6-dihydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, 6-O-?-D-Glucopyranoside, Me ester C27H36O12 552.220676 NA MeJP NA NA +MJ080151 2,4-Dihydroxy-10(14),11(13)-guaiadien-12,8-olide, 4-O-(2,6-Di-O-acetyl-?-D-glucopyranoside), 2-Ac C27H36O12 552.220676 NA MeJP NA NA +MJ080152 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 5'-Methoxy, 3',5-di-Me ether, 9-O-?-D-glucopyranoside C27H36O12 552.220676 NA MeJP NA NA +MJ080153 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-?-L-arabinopyranoside C27H36O12 552.220676 NA MeJP NA NA +MJ080154 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-?-D-xylopyranoside C27H36O12 552.220676 NA MeJP NA NA +MJ080155 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9-O-xyloside C27H36O12 552.220676 NA MeJP NA NA +MJ080156 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-?-D-xylopyranoside C27H36O12 552.220676 NA MeJP NA NA +MJ080157 3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5,5'-Tetra-Me ether, 9-O-?-D-xylopyranoside C27H36O12 552.220676 NA MeJP NA NA +MJ080158 3,3',4,4',5,9,9'-Heptahydroxy-2,7'-cyclolignan, 3,3',5-Tri-Me ether, 9'-O-?-D-glucopyranoside C27H36O12 552.220676 NA MeJP NA NA +MJ080159 3,3',4,4',5,9-Hexahydroxy-7,9'-epoxylignan, 3,3',5-Tri-Me ether, 9-O-?-D-glucopyranoside C27H36O12 552.220676 NA MeJP NA NA +MJ080160 Bruceanic acid A C27H36O12 552.220676 NA MeJP NA NA +PJ005025 SSTQM C20H36N6O10S 552.2214 NA PeJP NA NA +PJ005026 GPNEH C22H32N8O9 552.2293 NA PeJP NA NA +PJ005027 SSTCR C19H36N8O9S 552.2326 NA PeJP NA NA +PJ005028 GQYW C27H32N6O7 552.2333 NA PeJP NA NA +MJ080161 1,2,3,4,9-Pentahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2-Ac C31H36O9 552.235932 NA MeJP NA NA +MJ080162 1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 6-Ac C31H36O9 552.235932 NA MeJP NA NA +MJ080163 2,7,8,11-Tetrahydroxy-1,15-isopimaradiene-3,14-dione, 11-Benzoyl, 2,7-di-Ac C31H36O9 552.235932 NA MeJP NA NA +MJ080164 2-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Benzyl glycoside, 3,4-dibenzyl C31H36O9 552.235932 NA MeJP NA NA +MJ080165 Dysoxylin; Tigloyl C31H36O9 552.235932 NA MeJP NA NA +MJ080166 Gomisin Q; 7-Benzoyl C31H36O9 552.235932 NA MeJP NA NA +MJ080167 Phomoidride B C31H36O9 552.235932 NA MeJP NA NA +PJ005029 QQMF C24H36N6O7S 552.2366 NA PeJP NA NA +PJ005030 GGAAMF C24H36N6O7S 552.2367 NA PeJP NA NA +PJ005031 GSSTTT C20H36N6O12 552.2391 NA PeJP NA NA +PJ005032 GSKMM C21H40N6O7S2 552.24 NA PeJP NA NA +PJ005033 LEEY C25H36N4O10 552.2432 NA PeJP NA NA +PJ005034 PNHW C26H32N8O6 552.2445 NA PeJP NA NA +MJ080168 Pithomycolide C30H36N2O8 552.247166 NA MeJP NA NA +PJ005035 CQFR C23H36N8O6S 552.2479 NA PeJP NA NA +3559 heparin-binding peptide APRANVAWCT 552.25045 MH2+ Inhouse_peptide NA peptide +3576 heparin-binding peptide APAANVRWCT 552.25045 MH2+ Inhouse_peptide NA peptide +PJ005036 NKEY C24H36N6O9 552.2544 NA PeJP NA NA +MJ080169 1-(3,4,5-Trihydroxyphenyl)-1-(2,3,4-trihydroxy-6-propylphenyl)propane, 2'',3',4'',5'-Tetra-Me ether, 3''-O-?-D-glucopyranoside C28H40O11 552.257062 NA MeJP NA NA +MJ080170 11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 2,7,9,13-Tetra-Ac C28H40O11 552.257062 NA MeJP NA NA +MJ080171 4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 3,6,7,14-Tetra-Ac C28H40O11 552.257062 NA MeJP NA NA +MJ080172 4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 6,7,9,14-Tetra-Ac C28H40O11 552.257062 NA MeJP NA NA +MJ080173 7,15-Dihydroxy-3,13-clerodadien-15,16-olid-18-oic acid, 15-Deoxy, 7-Ac, 18-O-?-D-glucopyranosyl ester C28H40O11 552.257062 NA MeJP NA NA +MJ080174 7,15-Dihydroxy-3,13-clerodadien-15,16-olid-18-oic acid, 16-Deoxo,15-ketone (lactone), 7-Ac, 18-O-?-D-glucopyranosyl ester C28H40O11 552.257062 NA MeJP NA NA +MJ080175 8,17-Epoxy-2,9,11,12,14-pentahydroxy-5-briaren-18,7-olide, 2-Butanoyl, 9,14-di-Ac C28H40O11 552.257062 NA MeJP NA NA +MJ080176 Nigakihemiacetal B; 16?-O-?-D-Glucopyranoside C28H40O11 552.257062 NA MeJP NA NA +PJ005037 SSTKM C21H40N6O9S 552.2578 NA PeJP NA NA +PJ005038 SQRY C23H36N8O8 552.2656 NA PeJP NA NA +PJ005039 GKYW C28H36N6O6 552.2697 NA PeJP NA NA +MJ080177 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 12-Cinnamoyl, 11-Ac C32H40O8 552.272318 NA MeJP NA NA +MJ080178 Detigloylswietenine; 6-Deoxy, 3-tigloyl C32H40O8 552.272318 NA MeJP NA NA +MJ080179 Gracigenin C32H40O8 552.272318 NA MeJP NA NA +MJ080180 Hyperbrasilol B C32H40O8 552.272318 NA MeJP NA NA +MJ080181 Isohyperbrasilol B C32H40O8 552.272318 NA MeJP NA NA +MJ080182 Lathyrol; 6?,17-Epoxide, 3-(phenylacetyl), 5,15-di-Ac C32H40O8 552.272318 NA MeJP NA NA +MJ080183 Saucerneol; 4-Me ether C32H40O8 552.272318 NA MeJP NA NA +MJ080184 Swietenolide; 6-Deoxy, 3-tigloyl C32H40O8 552.272318 NA MeJP NA NA +MJ080185 Tetronolide C32H40O8 552.272318 NA MeJP NA NA +7309 celiac sprue gluten epitope from gamma-gliadin IFPQPQQTF 552.2725 MH2+ Inhouse_peptide NA peptide +PJ005040 QKMF C25H40N6O6S 552.273 NA PeJP NA NA +MJ080186 Canthiumine C33H36N4O4 552.273655 NA MeJP NA NA +C10000 Canthiumine C33H36N4O4 552.2737 NA KEGG NA NA +PJ005041 GSPHR C22H36N10O7 552.2769 NA PeJP NA NA +PJ005042 LHHF C27H36N8O5 552.2809 NA PeJP NA NA +MJ080187 Manumycin D C31H40N2O7 552.283551 NA MeJP NA NA +PJ005043 CKFR C24H40N8O5S 552.2843 NA PeJP NA NA +MJ080188 Atroxigenin C30H45ClO7 552.285381 NA MeJP NA NA +PJ005044 DKKY C25H40N6O8 552.2908 NA PeJP NA NA +C08848 Antioside C29H44O10 552.2934 NA KEGG NA NA +C08851 Bipindoside C29H44O10 552.2934 NA KEGG NA NA +C08874 Lokundjoside C29H44O10 552.2934 NA KEGG NA NA +C17523 Panogenin-3-o-alpha-L-rhamnopyranoside C29H44O10 552.2934 NA KEGG NA NA +MJ080189 3,11,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H44O10 552.293447 NA MeJP NA NA +MJ080190 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-?-D-Allopyranoside C29H44O10 552.293447 NA MeJP NA NA +MJ080191 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-?-D-Glucopyranoside C29H44O10 552.293447 NA MeJP NA NA +MJ080192 3,14,16,19-Tetrahydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H44O10 552.293447 NA MeJP NA NA +MJ080193 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-?-D-Glucopyranoside C29H44O10 552.293447 NA MeJP NA NA +MJ080194 3,14,19-Trihydroxycard-20(22)-enolide, 3-O-?-D-Glucopyranoside C29H44O10 552.293447 NA MeJP NA NA +MJ080195 3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-gulopyranoside) C29H44O10 552.293447 NA MeJP NA NA +MJ080196 3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-L-glucopyranoside) C29H44O10 552.293447 NA MeJP NA NA +MJ080197 3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-L-talopyranoside) C29H44O10 552.293447 NA MeJP NA NA +MJ080198 3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H44O10 552.293447 NA MeJP NA NA +MJ080199 3,5,12,14-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-allopyranoside) C29H44O10 552.293447 NA MeJP NA NA +MJ080200 3,5,12,14-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-gulopyranoside) C29H44O10 552.293447 NA MeJP NA NA +MJ080201 3,5,12,14-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-L-mannopyranoside) C29H44O10 552.293447 NA MeJP NA NA +MJ080202 3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-allopyranoside) C29H44O10 552.293447 NA MeJP NA NA +MJ080203 3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-gulopyranoside) C29H44O10 552.293447 NA MeJP NA NA +MJ080204 3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H44O10 552.293447 NA MeJP NA NA +MJ080205 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-?-D-Allopyranoside C29H44O10 552.293447 NA MeJP NA NA +MJ080206 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-?-D-Glucopyranoside C29H44O10 552.293447 NA MeJP NA NA +MJ080207 4,18:11,16:15,16-Triepoxy-1,3,6,19-clerodanetetrol, 1-(2S-Methylbutanoyl), 6,19-di-Ac C29H44O10 552.293447 NA MeJP NA NA +MJ080208 4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 14,15-Dihydro, 3-(2-methylbutanoyl), 6,19-di-Ac C29H44O10 552.293447 NA MeJP NA NA +MJ080209 4,18:11,16:15,16-Triepoxy-2,6,15,19-clerodanetetrol, 2-(2-Methylbutanoyl), 6,19-di-Ac C29H44O10 552.293447 NA MeJP NA NA +MJ080210 Ornithogalum Substance C C29H44O10 552.293447 NA MeJP NA NA +PJ005045 SKRY C24H40N8O7 552.302 NA PeJP NA NA +MJ080211 Hedaquinium(2+); Dichloride C34H46Cl2N2 552.303804 NA MeJP NA NA +MJ080212 Antibiotic SB 291071; Homologue (R = -C11H21) C28H44N2O9 552.304681 NA MeJP NA NA +MJ080213 8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 12-Benzoyl, 11-(2-methylbutanoyl) C33H44O7 552.308703 NA MeJP NA NA +MJ080214 Kijanolide C33H44O7 552.308703 NA MeJP NA NA +MJ080215 Vilasinin; 1-Tigloyl, 3-Ac C33H44O7 552.308703 NA MeJP NA NA +MJ080216 Vilasinin; 3-Tigloyl, 1-Ac C33H44O7 552.308703 NA MeJP NA NA +PJ005046 KKMF C26H44N6O5S 552.3094 NA PeJP NA NA +MJ080217 3',4'-Dideoxykanamycin B; N1-(4-Amino-2-hydroxybutanoyl) C22H44N6O10 552.311891 NA MeJP NA NA +HMDB04309 Triterpenoid C30H48O7S 552.31207 http://www.hmdb.ca/metabolites/HMDB04309 HMDB NA NA +HMDB04309 Triterpenoid C30H48O7S 552.31207 HMDB04309 PFEM_hmdb_metabocards_official NA NA +HMDB04309 Triterpenoid C30H48O7S 552.312073 NA HMDB2010 NA NA +MJ080218 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-Sulfate C30H48O7S 552.312074 NA MeJP NA NA +MJ080219 3,23-Dihydroxy-29-norcycloart-24-en-28-oic acid, 3-O-Sulfate, 28-Me ester C30H48O7S 552.312074 NA MeJP NA NA +MJ080220 3,23-Dihydroxy-29-norlanosta-8,24-dien-28-oic acid, 3-O-Sulfate, 28-Me ester C30H48O7S 552.312074 NA MeJP NA NA +PJ005047 LQHR C23H40N10O6 552.3133 NA PeJP NA NA +MJ080221 Batrachotoxinin A; O20-2,4-Dimethyl-3-pyrrolecarboxylate, O3-Me C32H44N2O6 552.319937 NA MeJP NA NA +MJ080222 Batrachotoxinin A; O20-2-Ethyl-4-methyl-3-pyrrolecarboxylate C32H44N2O6 552.319937 NA MeJP NA NA +MJ080223 Toxiferine I; Bis(deoxy), di-N-de-Me C38H40N4 552.325297 NA MeJP NA NA +PJ005048 PPVLQ C26H44N6O7 552.3272 NA PeJP NA NA +HMDB02513 Lithocholate 3-O-glucuronide C30H48O9 552.32983 http://www.hmdb.ca/metabolites/HMDB02513 HMDB NA NA +HMDB02513 Lithocholate 3-O-glucuronide C30H48O9 552.32983 HMDB02513 PFEM_hmdb_metabocards_official NA NA +MJ080224 6,13-Epoxy-8-eunicellene-2,3,4,11,12-pentol, 2,12-Dibutanoyl, 3-Ac C30H48O9 552.329833 NA MeJP NA NA +MJ080225 7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-(2-methylpropenoyl), 2-O-fucopyranoside C30H48O9 552.329833 NA MeJP NA NA +MJ080226 Fluorin C30H48O9 552.329833 NA MeJP NA NA +HMDB02513 Lithocholate 3-O-glucuronide C30H48O9 552.329834 NA HMDB2010 NA NA +MJ080227 Discarine G C31H44N4O5 552.33117 NA MeJP NA NA +MJ080228 Pandamine C31H44N4O5 552.33117 NA MeJP NA NA +MJ080229 Sanjoinine G1 C31H44N4O5 552.33117 NA MeJP NA NA +C10012 Pandamine C31H44N4O5 552.3312 NA KEGG NA NA +PJ005049 APPLR C25H44N8O6 552.3384 NA PeJP NA NA +MJ080230 Deacylbengazole C; O10-(13-Methylpentadecanoyl) C29H48N2O8 552.341066 NA MeJP NA NA +MJ080231 Deacylbengazole C; O10-Hexadecanoyl C29H48N2O8 552.341066 NA MeJP NA NA +MJ080232 3,14,22,25-Tetrahydroxycholest-7-en-6-one, 25-Benzoyl C34H48O6 552.345089 NA MeJP NA NA +MJ080233 Huratoxin; 5-Deoxy, 6,7-deepoxy, 6,7-didehydro C34H48O6 552.345089 NA MeJP NA NA +MJ080234 Milbemycin IV; 5-Ketone C34H48O6 552.345089 NA MeJP NA NA +MJ080235 Spirostane-2,3,6-triol, 6-Benzoyl C34H48O6 552.345089 NA MeJP NA NA +PJ005050 LKHR C24H44N10O5 552.3496 NA PeJP NA NA +C00373 Elastin C27H48N6O6 552.3635 NA KEGG NA NA +C00374 Heparin C27H48N6O6 552.3635 NA KEGG NA NA +C00375 Primary amine CH4NR 552.3635 NA KEGG NA NA +PJ005051 PPVLK C27H48N6O6 552.3636 NA PeJP NA NA +MJ080236 1,3,16,20,24-Pentahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid C31H52O8 552.366218 NA MeJP NA NA +MJ080237 7-Labdene-2,3,15-triol, 3-Angeloyl, 2-O-?-fucopyranoside C31H52O8 552.366218 NA MeJP NA NA +MJ080238 7-Labdene-2,3,15-triol, 3-Angeloyl, 2-O-?-L-rhamnopyranoside C31H52O8 552.366218 NA MeJP NA NA +MJ080239 Pregnane-3,8,12,14,17,20-hexol, 12,20-Bis(3-methylbutanoyl) C31H52O8 552.366218 NA MeJP NA NA +MJ080240 3,22-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone, 22-(3-methyl-2-butenoyl) C35H52O5 552.381474 NA MeJP NA NA +MJ080241 3,22-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone, 22-angeloyl C35H52O5 552.381474 NA MeJP NA NA +MJ080242 8-Hydroxyhyperforin 8,1-hemiacetal C35H52O5 552.381474 NA MeJP NA NA +MJ080243 Furohyperforin C35H52O5 552.381474 NA MeJP NA NA +MJ080244 Oxepahyperforin C35H52O5 552.381474 NA MeJP NA NA +MJ080245 Manzamine A, 1R,2,3,4-Tetrahydro C36H48N4O 552.382812 NA MeJP NA NA +MJ080246 Manzamine J; 3',4'-Dihydro C36H48N4O 552.382812 NA MeJP NA NA +MJ080247 Cyclovirobuxine I; N3,N20-Di-Me, O-(3-hydroxy-4-methoxybenzoyl) C34H52N2O4 552.392708 NA MeJP NA NA +MJ080248 Eurylene; 14-De-Ac C32H56O7 552.402604 NA MeJP NA NA +C08587 beta-Carotene 5,6-epoxide C40H56O 552.4331 NA KEGG NA NA +C08590 Zeinoxanthin C40H56O 552.4331 NA KEGG NA NA +C08591 beta-Cryptoxanthin C40H56O 552.4331 NA KEGG NA NA +C08603 Lycoxanthin C40H56O 552.4331 NA KEGG NA NA +C08605 Mutatochrome C40H56O 552.4331 NA KEGG NA NA +C08611 Rubixanthin C40H56O 552.4331 NA KEGG NA NA +C15860 1'-Hydroxytorulene C40H56O 552.4331 NA KEGG NA NA +C15874 3,4-Dehydrorhodopin C40H56O 552.4331 NA KEGG NA NA +C15875 Kemptide C40H56O 552.4331 NA KEGG NA NA +C15876 Katacalcin C40H56O 552.4331 NA KEGG NA NA +C15981 alpha-Cryptoxanthin C40H56O 552.4331 NA KEGG NA NA +C15982 Thermocryptoxanthin C53H78O7 552.4331 NA KEGG NA NA +C15983 Thermozeaxanthin C53H78O8 552.4331 NA KEGG NA NA +C15984 Thermobiszeaxanthin C66H100O14 552.4331 NA KEGG NA NA +HMDB02268 Beta-Cryptoxanthin C40H56O 552.433105 NA HMDB2010 NA NA +HMDB02268 beta-Cryptoxanthin C40H56O 552.43311 http://www.hmdb.ca/metabolites/HMDB02268 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02268 beta-Cryptoxanthin C40H56O 552.43311 http://www.hmdb.ca/metabolites/HMDB02268 HMDB NA NA +HMDB02268 beta-Cryptoxanthin C40H56O 552.43311 http://www.hmdb.ca/metabolites/HMDB02268 PFEM_hmdb_metabocards_blood NA blood +HMDB02268 beta-Cryptoxanthin C40H56O 552.43311 HMDB02268 PFEM_hmdb_metabocards_official NA NA +MJ080249 1',2'-Epoxy-1',2'-dihydro-?,?-carotene C40H56O 552.433116 NA MeJP NA NA +MJ080250 3',4'-Didehydro-1',2'-dihydro-?,?-caroten-1'-ol C40H56O 552.433116 NA MeJP NA NA +MJ080251 3-Hydroxy-?-carotene C40H56O 552.433116 NA MeJP NA NA +MJ080252 ?,?-Carotene-2,2'-diol, Monodeoxy C40H56O 552.433116 NA MeJP NA NA +MJ080253 ?,?-Caroten-2-ol C40H56O 552.433116 NA MeJP NA NA +MJ080254 ?,?-Caroten-4-one, 4-Alcohol C40H56O 552.433116 NA MeJP NA NA +MJ080255 ?-Carotene epoxide C40H56O 552.433116 NA MeJP NA NA +MJ080256 ?-Carotene; 3',4'-Didehydro, 1',2'-dihydro, 2'-hydroxy C40H56O 552.433116 NA MeJP NA NA +MJ080257 ?-Cryptoxanthin C40H56O 552.433116 NA MeJP NA NA +MJ080258 Aleuriaxanthin C40H56O 552.433116 NA MeJP NA NA +MJ080259 Anhydrorhodovibrin; O-De-Me C40H56O 552.433116 NA MeJP NA NA +MJ080260 Echinenone; 4-Alcohol C40H56O 552.433116 NA MeJP NA NA +MJ080261 Flavochrome C40H56O 552.433116 NA MeJP NA NA +MJ080262 Lycopene, 1,2S-Epoxide C40H56O 552.433116 NA MeJP NA NA +MJ080263 Lycopene, 5,6-Epoxide C40H56O 552.433116 NA MeJP NA NA +MJ080264 Lycophyll; Deoxy C40H56O 552.433116 NA MeJP NA NA +MJ080265 Mutatochrome C40H56O 552.433116 NA MeJP NA NA +MJ080266 Rhodopinol; 1-Deoxy, 1,2-didehydro C40H56O 552.433116 NA MeJP NA NA +MJ080267 Rubixanthin C40H56O 552.433116 NA MeJP NA NA +MJ080268 ?-Carotene 5,6-epoxide C40H56O 552.433116 NA MeJP NA NA +MJ080269 ?-Cryptoxanthin C40H56O 552.433116 NA MeJP NA NA +MJ080270 ?-Carotene; 1',2'-Epoxide C40H56O 552.433116 NA MeJP NA NA +MetaCyc03844 α-cryptoxanthin [β,ε-caroten-3'-ol;] C40H56O1 552.433116 NA metacyc NA NA +MetaCyc03845 ε,ε-carotene-3-diol [] C40H56O1 552.433116 NA metacyc NA NA +MetaCyc03846 β-cryptoxanthin [β,β-carotene-3-ol;] C40H56O1 552.433116 NA metacyc NA NA +MetaCyc03847 zeinoxanthin [β,ε-carotene-3-ol;] C40H56O1 552.433116 NA metacyc NA NA +MetaCyc03848 ε,ψ-carotene-3-ol [] C40H56O1 552.433116 NA metacyc NA NA +HMDB07070 DG(15:0/16:1(9Z)/0:0) C34H64O5 552.475403 NA HMDB2010 NA NA +HMDB07126 DG(16:1(9Z)/15:0/0:0) C34H64O5 552.475403 NA HMDB2010 NA NA +MJ080271 12-Oleanen-3-ol, O-Octanoyl C38H64O2 552.490631 NA MeJP NA NA +MJ080272 12-Ursen-3-ol, Octanoyl C38H64O2 552.490631 NA MeJP NA NA +MJ080273 20(29)-Lupen-3-ol, Octanoyl C38H64O2 552.490631 NA MeJP NA NA +MJ080274 ?,?-Carotane C40H72 552.563402 NA MeJP NA NA +MJ080275 Thiamine; O-Triphosphate C12H20N4O13P3S 552.996041 NA MeJP NA NA +PJ005052 SCDDD C18H27N5O13S 553.1326 NA PeJP NA NA +PJ005053 PCCCE C19H31N5O8S3 553.1335 NA PeJP NA NA +MJ080276 Antibiotic OA 6129B1; 6-O-Sulfate C20H31N3O11S2 553.14 NA MeJP NA NA +PJ005054 GCDEM C19H31N5O10S2 553.1513 NA PeJP NA NA +MJ080277 Amidepsine B C28H27NO11 553.15841 NA MeJP NA NA +PJ005055 SCCNQ C18H31N7O9S2 553.1625 NA PeJP NA NA +PJ005056 CDMW C23H31N5O7S2 553.1665 NA PeJP NA NA +PJ005057 SSDDM C19H31N5O12S 553.169 NA PeJP NA NA +PJ005058 PTCCM C20H35N5O7S3 553.1699 NA PeJP NA NA +MJ080278 Asaphan, 3'',4''-Dihydroxy C26H33Cl2N3O6 553.174641 NA MeJP NA NA +MJ080279 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,8-Di-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranoside] C25H31NO13 553.17954 NA MeJP NA NA +PJ005059 GSSSCN C18H31N7O11S 553.1802 NA PeJP NA NA +PJ005060 GGGSSSC C18H31N7O11S 553.1803 NA PeJP NA NA +PJ005061 GPCDY C23H31N5O9S 553.1843 NA PeJP NA NA +PJ005062 GSEMM C20H35N5O9S2 553.1876 NA PeJP NA NA +PJ005063 GCNNF C22H31N7O8S 553.1955 NA PeJP NA NA +PJ005064 SCCNK C19H35N7O8S2 553.1989 NA PeJP NA NA +MJ080280 N-[2-[4-[3-[4-Amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-oxopropyl]-1-piperidinyl]ethyl]methanesulfonamide C26H36ClN3O6S 553.201334 NA MeJP NA NA +PJ005065 NEEY C23H31N5O11 553.202 NA PeJP NA NA +PJ005066 SMMW C24H35N5O6S2 553.2029 NA PeJP NA NA +PJ005067 SSTEM C20H35N5O11S 553.2054 NA PeJP NA NA +MJ080281 Saframycin A; Decyano, 14-oxo, ring E hydroquinone C28H31N3O9 553.206029 NA MeJP NA NA +MJ080282 Saframycin S C28H31N3O9 553.206029 NA MeJP NA NA +PJ005068 AAMMM C21H39N5O6S3 553.2063 NA PeJP NA NA +PJ005069 GTCHH C21H31N9O7S 553.2067 NA PeJP NA NA +MJ080283 Carbazomarin A C33H31NO7 553.210052 NA MeJP NA NA +PJ005070 GSNNY C22H31N7O10 553.2133 NA PeJP NA NA +PJ005071 GEYW C27H31N5O8 553.2173 NA PeJP NA NA +PJ005072 GSPMY C24H35N5O8S 553.2207 NA PeJP NA NA +PJ005073 ATTMM C21H39N5O8S2 553.224 NA PeJP NA NA +PJ005074 SSSHH C21H31N9O9 553.2245 NA PeJP NA NA +PJ005075 PDHW C26H31N7O7 553.2285 NA PeJP NA NA +MJ080284 1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 9-benzoyl, 6-Ac C30H35NO9 553.231181 NA MeJP NA NA +MJ080285 1,4,6,8,9-Pentahydroxydihydro-?-agarofuran, 6-(3-Pyridinecarbonyl), 1-benzoyl, 9-Ac C30H35NO9 553.231181 NA MeJP NA NA +PJ005076 CEFR C23H35N7O7S 553.2319 NA PeJP NA NA +PJ005077 YWW C31H31N5O5 553.2325 NA PeJP NA NA +PJ005078 AMFW C28H35N5O5S 553.2359 NA PeJP NA NA +PJ005079 DKEY C24H35N5O10 553.2384 NA PeJP NA NA +PJ005080 NHHF C25H31N9O6 553.2398 NA PeJP NA NA +PJ005081 TTTTM C21H39N5O10S 553.2418 NA PeJP NA NA +MJ080286 4-[(2-Hydroxy-3-phenoxypropyl)amino]butyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate C29H35N3O8 553.242415 NA MeJP NA NA +JH239 Taurocholic acid [M+K]+ NA 553.2429 25.3 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH239 Taurocholic acid [M+K]+ NA 553.2429 25.3 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH239 Taurocholic acid [M+K]+ NA 553.2429 25.3 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH239 Taurocholic acid [M+K]+ NA 553.2429 25.3 Inhousejuil11 NA NA +PJ005082 SERY C23H35N7O9 553.2496 NA PeJP NA NA +PJ005083 APTEH C23H35N7O9 553.2497 NA PeJP NA NA +PJ005084 SVYW C28H35N5O7 553.2537 NA PeJP NA NA +PJ005085 LQMY C25H39N5O7S 553.257 NA PeJP NA NA +PJ005086 AAQQH C22H35N9O8 553.2609 NA PeJP NA NA +PJ005087 GPPHF C27H35N7O6 553.2649 NA PeJP NA NA +MJ080287 Trideacetylpyripyropene A; 7-Deoxy, 3,19-dipropanoyl C31H39NO8 553.267567 NA MeJP NA NA +PJ005088 CLRY C24H39N7O6S 553.2683 NA PeJP NA NA +PJ005089 NQHR C21H35N11O7 553.2721 NA PeJP NA NA +PJ005090 GTTLY C25H39N5O9 553.2748 NA PeJP NA NA +MJ080288 Vignatic acid A C30H39N3O7 553.2788 NA MeJP NA NA +3774 PEP inhibitor MPPPL 553.2804 ACE inhibitor Inhouse_peptide NA peptide +3775 PEP inhibitor MPPLP 553.2804 ACE inhibitor Inhouse_peptide NA peptide +3042 inhibitor of fibrinogen and thrombin coagulation GPRGPA 553.284 celiac toxic Inhouse_peptide NA peptide +PJ005091 GVLEH C24H39N7O8 553.286 NA PeJP NA NA +PJ005092 PKFY C29H39N5O6 553.29 NA PeJP NA NA +PJ005093 LQFF C29H39N5O6 553.2901 NA PeJP NA NA +PJ005094 LKMY C26H43N5O6S 553.2934 NA PeJP NA NA +PJ005095 LEHR C23H39N9O7 553.2973 NA PeJP NA NA +PJ005096 VLHW C28H39N7O5 553.3013 NA PeJP NA NA +MJ080289 Pyrochasmaconitine C32H43NO7 553.303952 NA MeJP NA NA +PJ005097 NKHR C22H39N11O6 553.3085 NA PeJP NA NA +PJ005098 PPVLE C26H43N5O8 553.3112 NA PeJP NA NA +HMDB11499 LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)) C29H48NO7P 553.316833 NA HMDB2010 NA NA +HMDB11529 LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0) C29H48NO7P 553.316833 NA HMDB2010 NA NA +EUR796 Lyso PC 22:6 [M-H-CH3]- C30H50NO7P 553.316842 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR924 Lyso PE 24:6 monoisotopic mass C29H48NO7P 553.316842 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR796 Lyso PC 22:6 [M-H-CH3]- C30H50NO7P 553.316842 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR924 Lyso PE 24:6 monoisotopic mass C29H48NO7P 553.316842 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR796 Lyso PC 22:6 [M-H-CH3]- C30H50NO7P 553.316842 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR924 Lyso PE 24:6 monoisotopic mass C29H48NO7P 553.316842 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR796 Lyso PC 22:6 [M-H-CH3]- C30H50NO7P 553.316842 masses lipides attendues Inhousejuil11 NA NA +EUR924 Lyso PE 24:6 monoisotopic mass C29H48NO7P 553.316842 masses lipides attendues Inhousejuil11 NA NA +PJ005099 ATLLH C25H43N7O7 553.3224 NA PeJP NA NA +PJ005100 LKFF C30H43N5O5 553.3264 NA PeJP NA NA +PJ005101 GPPKR C24H43N9O6 553.3337 NA PeJP NA NA +EUR712 LysoPE (20:1) [M+FA-H]- C25H50NO7P 553.337372 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR867 Lyso PE 20:1 [M+FA-H]- C25H50NO7P 553.337372 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR712 LysoPE (20:1) [M+FA-H]- C25H50NO7P 553.337372 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR867 Lyso PE 20:1 [M+FA-H]- C25H50NO7P 553.337372 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR712 LysoPE (20:1) [M+FA-H]- C25H50NO7P 553.337372 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR867 Lyso PE 20:1 [M+FA-H]- C25H50NO7P 553.337372 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR712 LysoPE (20:1) [M+FA-H]- C25H50NO7P 553.337372 masses lipides attendues Inhousejuil11 NA NA +EUR867 Lyso PE 20:1 [M+FA-H]- C25H50NO7P 553.337372 masses lipides attendues Inhousejuil11 NA NA +EUR723 Lyso PC 16:1 [M-H+acetate]- C24H48NO7P 553.337942 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR723 Lyso PC 16:1 [M-H+acetate]- C24H48NO7P 553.337942 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR723 Lyso PC 16:1 [M-H+acetate]- C24H48NO7P 553.337942 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR723 Lyso PC 16:1 [M-H+acetate]- C24H48NO7P 553.337942 masses lipides attendues Inhousejuil11 NA NA +MJ080290 Antibiotic SH 50 C26H47N7O6 553.358782 NA MeJP NA NA +MJ080291 Izenamicin B2 C30H51NO8 553.361467 NA MeJP NA NA +PJ005102 PVLLL C28H51N5O6 553.384 NA PeJP NA NA +MJ080292 Antibiotic SAB 711 C27H51N7O5 553.395167 NA MeJP NA NA +MJ080293 Topostin B553 C33H63NO5 553.470624 NA MeJP NA NA +MJ080294 2-Amino-4-octadecene-1,3-diol, N-(2-Hydroxyhexadecanoyl) C34H67NO4 553.507009 NA MeJP NA NA +2745 activating kinases and phosphatases peptide EPFYQNVPD 553.7364 MH2+ Inhouse_peptide NA peptide +3135 ester transferases inhibitor WRMWYVPA 553.7597 MH2+ Inhouse_peptide NA peptide +MJ080295 Sepazonium(1+), Chloride C26H23Cl5N2O 554.025301 NA MeJP NA NA +MJ080296 Ceftriaxone C18H18N8O7S3 554.046057 NA MeJP NA NA +C06683 Ceftriaxone C18H18N8O7S3 554.0461 NA KEGG NA NA +MJ080297 Zolasartan C24H20BrClN6O3 554.046878 NA MeJP NA NA +C13505 Cefsulodin sodium C22H19N4O8S2 554.0542 NA KEGG NA NA +C13506 Transferred to D02006 C22H19N4O8S2 554.0542 NA KEGG NA NA +C13508 Sulfoquinovosyldiacylglycerol C11H16O12SR2 554.0542 NA KEGG NA NA +C13509 Transferred to D02008 C11H16O12SR2 554.0542 NA KEGG NA NA +C13510 Transferred to D02009 C11H16O12SR2 554.0542 NA KEGG NA NA +MJ080298 ?-Rubromycin; 3,3'-Dihydroxy C26H18O14 554.069655 NA MeJP NA NA +MJ080299 4',4''',5,5'',7,7''-Hexahydroxy-3,8''-biflavone; 6''-Hydroxy C30H18O11 554.084911 NA MeJP NA NA +MJ080300 Amentoflavone; 3'-Hydroxy C30H18O11 554.084911 NA MeJP NA NA +MJ080301 Amentoflavone; 5'''-Hydroxy C30H18O11 554.084911 NA MeJP NA NA +MJ080302 Dicatenarin; 2'-Deoxy C30H18O11 554.084911 NA MeJP NA NA +MJ080303 Dicatenarin; 8'-Deoxy C30H18O11 554.084911 NA MeJP NA NA +MJ080304 Dicranolomin; 3'''-Deoxy C30H18O11 554.084911 NA MeJP NA NA +MJ080305 Oxyskyrine C30H18O11 554.084911 NA MeJP NA NA +MJ080306 Robustaflavone; 5'''-Hydroxy C30H18O11 554.084911 NA MeJP NA NA +MJ080307 Cephachlomazine C23H27ClN4O4S3 554.088295 NA MeJP NA NA +MJ080308 Albofungin; 11-Chloro C27H23ClN2O9 554.109208 NA MeJP NA NA +MJ080309 Antibiotic A 80915B C26H29Cl3N2O5 554.114205 NA MeJP NA NA +MJ080310 Amentoflavone; 2'',3''-Dihydro, 7''-Me ether (S-) C31H22O10 554.121296 NA MeJP NA NA +MJ080311 Hinokiflavone; 2'',3''-Dihydro(S-), 7''-Me ether C31H22O10 554.121296 NA MeJP NA NA +MJ080312 Lanceolatin A; 7''-Me ether C31H22O10 554.121296 NA MeJP NA NA +MJ080313 Ochnaflavone; 2'',3''-Dihydro, 7''-Me ether C31H22O10 554.121296 NA MeJP NA NA +MJ080314 Ochnaflavone; 2,3-Dihydro, 7-Me ether C31H22O10 554.121296 NA MeJP NA NA +MJ080315 Agrocinopin A C17H31O18P 554.1248 NA MeJP NA NA +MJ080316 1,2,6,8-Tetrahydroxyxanthone; 8-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C24H26O15 554.12717 NA MeJP NA NA +MJ080317 Diphyllin; O-[5-O-Acetyl-?-D-apiofuranoside] C28H26O12 554.142426 NA MeJP NA NA +MJ080318 Diphyllin; O-[Acetyl-D-xylopyranoside] C28H26O12 554.142426 NA MeJP NA NA +PJ005103 SCCNE C18H30N6O10S2 554.1465 NA PeJP NA NA +MJ080319 6-Chloro-2,3-epoxy-8,9,11-trihydroxy-12-oxo-5(16),13-briaradien-18,7-olide; 9-(Acetoxyacetyl), 11-Ac C26H31ClO11 554.155489 NA MeJP NA NA +MJ080320 6-Chloro-2,8-epoxy-3,9,11,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 12-Ketone, 9-(acetoxyacetyl), 11-Ac C26H31ClO11 554.155489 NA MeJP NA NA +C14122 R207910 C32H31BrN2O2 554.1569 NA KEGG NA NA +MJ080321 2',4',7-Trihydroxy-2-(2',4',7-trihydroxyisoflavan-5-yl)isoflavone, 4',4'''-Di-Me ether C32H26O9 554.157682 NA MeJP NA NA +MJ080322 2',7-Dihydroxy-4'-methoxyflavone(3?5')-2',7-dihydroxy-4'-methoxyisoflavan C32H26O9 554.157682 NA MeJP NA NA +PJ005104 GSCCW C22H30N6O7S2 554.1618 NA PeJP NA NA +MJ080323 ?-Sorigenin; 6-Methoxy, 8-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C25H30O14 554.163555 NA MeJP NA NA +MJ080324 Arbutin; 2-O-[(4-Hydroxy-3-methoxybenzoyl)-(?5)-?-D-apiofuranosyl] C25H30O14 554.163555 NA MeJP NA NA +MJ080325 Caryoptosidic acid; 6'-(3,4-Dihydroxycinnamoyl)(E-) C25H30O14 554.163555 NA MeJP NA NA +MJ080326 Kingiside; 6'-(4-Hydroxy-3-methoxybenzoyl) C25H30O14 554.163555 NA MeJP NA NA +MJ080327 Ligustrosidic acid C25H30O14 554.163555 NA MeJP NA NA +PJ005105 GSSSCD C18H30N6O12S 554.1643 NA PeJP NA NA +PJ005106 GCNMM C19H34N6O7S3 554.1651 NA PeJP NA NA +PJ005107 ACCCR C18H34N8O6S3 554.1764 NA PeJP NA NA +MJ080328 4,4',7-Trihydroxyflavan, 4-Me ether, 7-O-[4-hydroxybenzoyl-(?6)-?-D-glucopyranoside] C29H30O11 554.178811 NA MeJP NA NA +MJ080329 Aloesin; 7-Me ether, 2'-O-(4-hydroxy-E-cinnamoyl) C29H30O11 554.178811 NA MeJP NA NA +MJ080330 Diphyllin; O-[2,3,5-Tri-O-methyl-D-xylofuranoside] C29H30O11 554.178811 NA MeJP NA NA +PJ005108 GCNDF C22H30N6O9S 554.1795 NA PeJP NA NA +PJ005109 SSCQM C19H34N6O9S2 554.1829 NA PeJP NA NA +MJ080331 [[[N-(Methoxy-3-phenyl)-N-(N-methyl-N-phenylcarbamoylmethyl)carbamoylmethyl]-3-ureido]-3-phenyl]-2-ethylsulfonate C27H30N4O7S 554.18352 NA MeJP NA NA +PJ005110 DEEY C23H30N4O12 554.186 NA PeJP NA NA +MJ080332 6-Chloro-2,3,8,9-tetrahydroxy-12-oxo-5(16),13-briaradien-18,7-olide; 3,9-Di-Ac, 2-propanoyl C27H35ClO10 554.191875 NA MeJP NA NA +MJ080333 Gliricidin C33H30O8 554.194067 NA MeJP NA NA +PJ005111 SSCCR C18H34N8O8S2 554.1941 NA PeJP NA NA +PJ005112 GSNDY C22H30N6O11 554.1973 NA PeJP NA NA +C17476 Osthenol-7-O-beta-D-gentiobioside C26H34O13 554.1999 NA KEGG NA NA +MJ080334 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C26H34O13 554.199941 NA MeJP NA NA +MJ080335 3,3',4,4',8,8',9-Heptahydroxy-7,9'-epoxylignan; 3,3'-Di-Me ether, 4'-O-?-D-glucopyranoside C26H34O13 554.199941 NA MeJP NA NA +MJ080336 4-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside, 3'-benzyl, tetra-Ac C26H34O13 554.199941 NA MeJP NA NA +MJ080337 5,7-Dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C26H34O13 554.199941 NA MeJP NA NA +MJ080338 Harpagide; 8-O-(3,4-Dimethoxycinnamoyl) C26H34O13 554.199941 NA MeJP NA NA +MJ080339 Osthenol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C26H34O13 554.199941 NA MeJP NA NA +PJ005113 GSSSSM C19H34N6O11S 554.2006 NA PeJP NA NA +PJ005114 ACCKM C20H38N6O6S3 554.2015 NA PeJP NA NA +PJ005115 EEMF C24H34N4O9S 554.2047 NA PeJP NA NA +MJ080340 Aglaiastatin; 3'-Methoxy, 5a''',N6'''-didehydro C32H30N2O7 554.205301 NA MeJP NA NA +PJ005116 MMHH C22H34N8O5S2 554.2094 NA PeJP NA NA +MJ080341 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9'-O-(4-hydroxy-3-methoxy-E-cinnamoyl) C30H34O10 554.215197 NA MeJP NA NA +MJ080342 Abiesol B C30H34O10 554.215197 NA MeJP NA NA +MJ080343 Arctignan A C30H34O10 554.215197 NA MeJP NA NA +MJ080344 Cerberalignan D C30H34O10 554.215197 NA MeJP NA NA +MJ080345 Cerberalignan E C30H34O10 554.215197 NA MeJP NA NA +MJ080346 Hirtin; O-De-Ac C30H34O10 554.215197 NA MeJP NA NA +MJ080347 Lappaol C C30H34O10 554.215197 NA MeJP NA NA +MJ080348 Lappaol E C30H34O10 554.215197 NA MeJP NA NA +C17686 Lappaol C C30H34O10 554.2152 NA KEGG NA NA +PJ005117 NQMY C23H34N6O8S 554.2159 NA PeJP NA NA +PJ005118 SSSSST C19H34N6O13 554.2184 NA PeJP NA NA +PJ005119 SSCKM C20H38N6O8S2 554.2193 NA PeJP NA NA +PJ005120 GNNNH C20H30N10O9 554.2197 NA PeJP NA NA +MJ080349 Miharamycin A C20H30N10O9 554.219722 NA MeJP NA NA +PJ005121 GGGNNH C20H30N10O9 554.2198 NA PeJP NA NA +MJ080350 Heteropsine; N6-Me C36H30N2O4 554.220557 NA MeJP NA NA +MJ080351 Antibiotic FR 183742 C25H38N4O6S2 554.223276 NA MeJP NA NA +MJ080352 Antibiotic FR 183743 C25H38N4O6S2 554.223276 NA MeJP NA NA +PJ005122 DHHF C25H30N8O7 554.2238 NA PeJP NA NA +PJ005123 CNRY C22H34N8O7S 554.2271 NA PeJP NA NA +PJ005124 GGGPMH C22H34N8O7S 554.2272 NA PeJP NA NA +MJ080353 Physalolactone; 23?-Hydroxy C28H39ClO9 554.22826 NA MeJP NA NA +2744 activating kinases and phosphatases peptide EPFYENVPD 554.2284 MH2+ Inhouse_peptide NA peptide +MJ080354 Citrumarin B; 7-Me ether C34H34O7 554.230453 NA MeJP NA NA +PJ005125 GSTQY C23H34N6O10 554.2337 NA PeJP NA NA +MJ080355 2,7-Cadalenediol; Di-O-?-D-glucopyranoside C27H38O12 554.236326 NA MeJP NA NA +MJ080356 3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,3',5,5'-Tetra-Me ether, 9-O-xylopyranoside C27H38O12 554.236326 NA MeJP NA NA +MJ080357 3,3',4,5,7,9,9'-Heptahydroxy-8,4'-oxyneolignan, 3,3',5-Tri-Me ether, 9'-O-?-L-rhamnopyranoside C27H38O12 554.236326 NA MeJP NA NA +MJ080358 Jaspofoliamoside E; 6'-Deacyl, (1''?6')lactone C27H38O12 554.236326 NA MeJP NA NA +MJ080359 Antibiotic TMC 2A; 4-Epimer, 5-deoxy C28H34N4O8 554.237664 NA MeJP NA NA +MJ080360 Antibiotic TMC 2A; 5-Deoxy C28H34N4O8 554.237664 NA MeJP NA NA +PJ005126 PEFY C28H34N4O8 554.2377 NA PeJP NA NA +PJ005127 LEMY C25H38N4O8S 554.2411 NA PeJP NA NA +HMDB03828 D-Pantethine C22H42N4O8S2 554.24438 http://www.hmdb.ca/metabolites/HMDB03828 HMDB NA NA +HMDB03828 D-Pantethine C22H42N4O8S2 554.24438 HMDB03828 PFEM_hmdb_metabocards_official NA NA +HMDB03828 D-Pantethine C22H42N4O8S2 554.244385 NA HMDB2010 NA NA +C12661 Pantethine C22H42N4O8S2 554.2444 NA KEGG NA NA +MJ080361 Pantethine C22H42N4O8S2 554.244405 NA MeJP NA NA +PJ005128 AAQEH C22H34N8O9 554.2449 NA PeJP NA NA +PJ005129 NQFF C27H34N6O7 554.2489 NA PeJP NA NA +MJ080362 11(15?1)-Abeo-2,5,9,10,15-pentahydroxy-4(20),11-taxadien-13-one, 10-Benzoyl, 2,9-di-Ac C31H38O9 554.251582 NA MeJP NA NA +MJ080363 18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 2-(4-Hydroxybenzoyl), 18,19-di-Ac C31H38O9 554.251582 NA MeJP NA NA +MJ080364 18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 6-(4-Hydroxybenzoyl), 18,19-di-Ac C31H38O9 554.251582 NA MeJP NA NA +MJ080365 Detigloylswietenine; 3-(2-Methylpropenoyl) C31H38O9 554.251582 NA MeJP NA NA +MJ080366 Ingol; 2,3-Diepimer, 8-benzoyl, 7,12-di-Ac C31H38O9 554.251582 NA MeJP NA NA +MJ080367 Ingol; 8-Benzoyl, 3,12-di-Ac C31H38O9 554.251582 NA MeJP NA NA +MJ080368 Toonacilin C31H38O9 554.251582 NA MeJP NA NA +C08785 Toonacilin C31H38O9 554.2516 NA KEGG NA NA +PJ005130 NKMY C24H38N6O7S 554.2523 NA PeJP NA NA +PJ005131 NEHR C21H34N10O8 554.2561 NA PeJP NA NA +MJ080369 2-Amino-N-[7,7-dimethyl-1-[[[4-(2-methylphenyl)-1-piperazinyl]sulfonyl]methyl]bicyclo[2.2.1]hept-2-yl]-4-(methylsulfonyl)butanamide C26H42N4O5S2 554.259661 NA MeJP NA NA +PJ005132 VNHW C26H34N8O6 554.2602 NA PeJP NA NA +3309 NA LPYY 554.262 celiac toxic Inhouse_peptide NA peptide +3310 NA LYPY 554.262 celiac toxic Inhouse_peptide NA peptide +7890 NA YLYP 554.262 ACE inhibitor Inhouse_peptide NA peptide +MJ080370 Sarcodictyin A; 3?-Acetoxy C30H38N2O8 554.262816 NA MeJP NA NA +PJ005133 APCKH C23H38N8O6S 554.2635 NA PeJP NA NA +PJ005134 GSTKY C24H38N6O9 554.27 NA PeJP NA NA +PJ005135 PPVNE C24H38N6O9 554.2701 NA PeJP NA NA +PJ005136 GHRW C25H34N10O5 554.2714 NA PeJP NA NA +MJ080371 11-Taxene-2,5,7,9,10,13,20-heptol, 2,5,10,13-Tetra-Ac C28H42O11 554.272712 NA MeJP NA NA +MJ080372 4,18:11,16:15,16-Triepoxy-2,3,6,15,19-clerodanepentol, 3-(2-Methylpropanoyl), 6,19-di-Ac C28H42O11 554.272712 NA MeJP NA NA +MJ080373 Nigakihemiacetal C; 11,12-Methylene ether, 16-O-?-D-glucopyranoside(16?-) C28H42O11 554.272712 NA MeJP NA NA +PJ005137 PLYY C29H38N4O7 554.2741 NA PeJP NA NA +MJ080374 Chaetoglobosin K; 19-Ketone C34H38N2O5 554.278072 NA MeJP NA NA +MJ080375 Elastatinal B C23H38N8O8 554.28126 NA MeJP NA NA +MJ080376 Elastatinal C C23H38N8O8 554.28126 NA MeJP NA NA +PJ005138 GPPER C23H38N8O8 554.2813 NA PeJP NA NA +PJ005139 GPPVW C28H38N6O6 554.2853 NA PeJP NA NA +MJ080377 18,20-Epoxypregnane-3,11,12,14,20-pentol, 12-Cinnamoyl, 11-Ac C32H42O8 554.287968 NA MeJP NA NA +MJ080378 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-(2Z,4E,6-Decatrienoyl), 13-Ac C32H42O8 554.287968 NA MeJP NA NA +MJ080379 5,9,12,13,20-Pentahydroxy-1,6-tigladien-3-one, 12-(2,4,6-Decatrienoyl)(2Z,4E,6?-), 13-Ac C32H42O8 554.287968 NA MeJP NA NA +MJ080380 6,18:11,16:15,16-Triepoxy-1,7,18-clerodanetriol, 18-Me ether, 7-cinnamoyl(E-), 1-Ac C32H42O8 554.287968 NA MeJP NA NA +MJ080381 6,18:11,16:15,16-Triepoxy-1,7,18-clerodanetriol, 18-Me ether, 7-cinnamoyl(Z-), 1-Ac C32H42O8 554.287968 NA MeJP NA NA +MJ080382 Acrovestone C32H42O8 554.287968 NA MeJP NA NA +MJ080383 Detigloylswietenine; 6-Deoxy, 3-(2-methylbutanoyl) C32H42O8 554.287968 NA MeJP NA NA +MJ080384 Hyperbrasilol C C32H42O8 554.287968 NA MeJP NA NA +MJ080385 Meliacinol C32H42O8 554.287968 NA MeJP NA NA +MJ080386 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl, 20-Ac C32H42O8 554.287968 NA MeJP NA NA +MJ080387 Salannic acid; 1-(3-Methyl-2-butenoyl), Me ester C32H42O8 554.287968 NA MeJP NA NA +MJ080388 Salannic acid; 1-O-Tigloyl, Me ester C32H42O8 554.287968 NA MeJP NA NA +C09916 Acrovestone C32H42O8 554.288 NA KEGG NA NA +C10006 Integerressine C33H38N4O4 554.2893 NA KEGG NA NA +MJ080389 Aralionine B C33H38N4O4 554.289305 NA MeJP NA NA +MJ080390 Integerressine C33H38N4O4 554.289305 NA MeJP NA NA +MJ080391 22,23-Epoxycholest-7-ene-2,3,4-triol, 4-Sulfate, 2-Ac C29H46O8S 554.291339 NA MeJP NA NA +MJ080392 22,23-Epoxycholest-7-ene-2,3,4-triol, 4-Sulfate, 3-Ac C29H46O8S 554.291339 NA MeJP NA NA +PJ005140 DKHR C22H38N10O7 554.2925 NA PeJP NA NA +PJ005141 PPRW C27H38N8O5 554.2965 NA PeJP NA NA +3255 beta-lactorphin (102-105) ACE inhibitor YLLF 554.299 celiac toxic Inhouse_peptide NA peptide +3256 beta-lactorphin (102-105) YLLF 554.299 celiac toxic Inhouse_peptide NA peptide +MJ080393 Batrachotoxinin A; 4?-Hydroxy, O20-2,4-dimethyl-3-pyrrolecarboxylate C31H42N2O7 554.299201 NA MeJP NA NA +PJ005142 SHRR C21H38N12O6 554.3038 NA PeJP NA NA +MJ080394 Betamethasone; 21-Adamantoyl C33H43FO6 554.304367 NA MeJP NA NA +PJ005143 PPVDK C25H42N6O8 554.3064 NA PeJP NA NA +MJ080395 3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 3-(3-Acetoxyhexadecanoyl), 4,5-di-Ac C29H46O10 554.309097 NA MeJP NA NA +PJ005144 LLFY C30H42N4O6 554.3104 NA PeJP NA NA +MJ080396 Antibiotic PF 1070B C30H42N4O6 554.310435 NA MeJP NA NA +MJ080397 Spermine; Bis(4-hydroxy-3-methoxycinnamoyl) C30H42N4O6 554.310435 NA MeJP NA NA +PJ005145 SPPVR C24H42N8O7 554.3177 NA PeJP NA NA +MJ080398 Antibiotic SB 291071; Homologue (R = -(CH2)10CH3) C28H46N2O9 554.320331 NA MeJP NA NA +MJ080399 Antibiotic SB 315021 C28H46N2O9 554.320331 NA MeJP NA NA +MJ080400 Antibiotic C 076; Antibiotic C 076IIc C33H46O7 554.324353 NA MeJP NA NA +C11961 6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone C33H46O7 554.3244 NA KEGG NA NA +PJ005146 PPTLK C26H46N6O7 554.3428 NA PeJP NA NA +MJ080401 2,3,16-Trihydroxy-22,23,24,25,26,27-hexanor-20-cucurbitanone, 2-O-?-D-Glucopyranoside C30H50O9 554.345483 NA MeJP NA NA +MJ080402 2-Hydroxy-6-(16-hydroxyheptadecyl)benzoic acid, 16'-O-?-D-Mannopyranoside C30H50O9 554.345483 NA MeJP NA NA +PJ005147 GPLLR C25H46N8O6 554.3541 NA PeJP NA NA +FL4DAANI0010 Muscanone;5,7,4'-Trihydroxy-3-O-(1,8,14-trimethylhexadecanyl)flavanone C34H50O6 554.36073 556014-15-4 knapsack NA NA +MJ080403 2,3-Dihydroxy-12,18-ursadien-28-oic acid, Di-Ac C34H50O6 554.360739 NA MeJP NA NA +MJ080404 2,3-Dihydroxy-5,12-oleanadien-28-oic acid, Di-Ac C34H50O6 554.360739 NA MeJP NA NA +MJ080405 3,15-Dihydroxylanosta-7,9(11),24-trien-26-oic acid, Di-Ac C34H50O6 554.360739 NA MeJP NA NA +MJ080406 3,22,28-Trihydroxy-13,15,17(20),24-malabaricatetraen-12-one, 3,28-Di-Ac C34H50O6 554.360739 NA MeJP NA NA +MJ080407 3,22,29-Trihydroxy-13,15,17(20),24-isomalabaricatetraen-12-one, 3,22-Di-Ac C34H50O6 554.360739 NA MeJP NA NA +MJ080408 3,22-Dihydroxylanosta-7,9(11),24-trien-26-oic acid, Di-Ac C34H50O6 554.360739 NA MeJP NA NA +MJ080409 Ingenol; 3-(2E,4Z-Tetradecadienoyl) C34H50O6 554.360739 NA MeJP NA NA +MJ080410 Milbemycin IV C34H50O6 554.360739 NA MeJP NA NA +MJ080411 Perenniporiol; 3-Ac C34H50O6 554.360739 NA MeJP NA NA +MJ080412 Epoxomicin C28H50N4O7 554.367949 NA MeJP NA NA +PJ005148 PVVLK C27H50N6O6 554.3792 NA PeJP NA NA +MJ080413 3,22-Dihydroxy-12-oleanen-28-oic acid, 22-Angeloyl C35H54O5 554.397124 NA MeJP NA NA +MJ080414 3,22-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone, 22-(S-2-methylbutanoyl) C35H54O5 554.397124 NA MeJP NA NA +MJ080415 Lagunapyrone C C35H54O5 554.397124 NA MeJP NA NA +MJ080416 Manzamine B; 1?,2,3,4-Tetrahydro C36H50N4O 554.398462 NA MeJP NA NA +MJ080417 Manzamine J; 1'R,2',3',4'-Tetrahydro C36H50N4O 554.398462 NA MeJP NA NA +MJ080418 Manzamine J; 1'S,2',3',4'-Tetrahydro C36H50N4O 554.398462 NA MeJP NA NA +MJ080419 Sapelenin B; 10,11-Dihydro, 10,11-dihydroxy, 7-Ac C32H58O7 554.418254 NA MeJP NA NA +MJ080420 Sapelenin B; 22,23-Dihydro, 22,23-dihydroxy, 7-Ac C32H58O7 554.418254 NA MeJP NA NA +MJ080421 1',2'-Dihydro-?-caroten-1'-ol C40H58O 554.448766 NA MeJP NA NA +MJ080422 Rhodopin C40H58O 554.448766 NA MeJP NA NA +MJ080423 Spheroidene; O-De-Me C40H58O 554.448766 NA MeJP NA NA +MetaCyc03849 hydroxy-β-zeacarotene [7',8'-dihydro-β,ψ-carotene-3-ol;] C40H58O1 554.448766 NA metacyc NA NA +C15859 1'-Hydroxy-gamma-carotene C40H58O 554.4488 NA KEGG NA NA +C15870 Rhodopin C40H58O 554.4488 NA KEGG NA NA +C15871 Nocistatin C40H58O 554.4488 NA KEGG NA NA +C15872 Kinetensin C40H58O 554.4488 NA KEGG NA NA +C15873 Kassinin C40H58O 554.4488 NA KEGG NA NA +C15898 Demethylspheroidene C40H58O 554.4488 NA KEGG NA NA +C15899 Fibrinogen binding peptide C40H58O 554.4488 NA KEGG NA NA +HMDB00548 Capric acid triglyceride C33H62O6 554.45465 http://www.hmdb.ca/metabolites/HMDB00548 HMDB NA NA +HMDB00548 Capric acid triglyceride C33H62O6 554.45465 HMDB00548 PFEM_hmdb_metabocards_official NA NA +HMDB00548 TG(10:0/10:0/10:0)[iso] C33H62O6 554.454651 NA HMDB2010 NA NA +HMDB07069 DG(15:0/16:0/0:0) C34H66O5 554.491028 NA HMDB2010 NA NA +HMDB07097 DG(16:0/15:0/0:0) C34H66O5 554.491028 NA HMDB2010 NA NA +MJ080424 ?,?-Carotane C40H74 554.579052 NA MeJP NA NA +MJ080425 Poduran C40H74 554.579052 NA MeJP NA NA +7708 pyrokinin TENMO-PK-3 HLSPFSPRLG 554.792 MH2+ Inhouse_peptide NA peptide +HMDB11104 3-Phosphoadenylylselenate C10H15N5O13P2Se 554.930664 NA HMDB2010 NA NA +C05696 3'-Phosphoadenylylselenate C10H15N5O13P2Se 554.9307 NA KEGG NA NA +PJ005149 CCCNN C17H29N7O8S3 555.124 NA PeJP NA NA +PJ005150 SCCDE C18H29N5O11S2 555.1305 NA PeJP NA NA +PJ005151 PCCCM C19H33N5O6S4 555.1314 NA PeJP NA NA +MJ080426 Tunichrome An1 C26H25N3O11 555.148908 NA MeJP NA NA +PJ005152 GCDMM C19H33N5O8S3 555.1492 NA PeJP NA NA +PJ005153 GCDDF C22H29N5O10S 555.1635 NA PeJP NA NA +PJ005154 SSCEM C19H33N5O10S2 555.1669 NA PeJP NA NA +PJ005155 GCCHH C20H29N9O6S2 555.1682 NA PeJP NA NA +MJ080427 Baumycin C1 C28H29NO11 555.17406 NA MeJP NA NA +MJ080428 Simmondsin; Di-O-de-Me, 2,4-di-O-benzoyl C28H29NO11 555.17406 NA MeJP NA NA +MJ080429 Simmondsin; Di-O-de-Me, 3,4-di-O-benzoyl C28H29NO11 555.17406 NA MeJP NA NA +PJ005156 GSDDY C22H29N5O12 555.1813 NA PeJP NA NA +PJ005157 APCCY C23H33N5O7S2 555.1822 NA PeJP NA NA +PJ005158 GSMMM C20H37N5O7S3 555.1855 NA PeJP NA NA +PJ005159 PPCCH C22H33N7O6S2 555.1934 NA PeJP NA NA +MJ080430 Fiduxosin C30H29N5O4S 555.194025 NA MeJP NA NA +MJ080431 Tiapamil C26H37NO8S2 555.196058 NA MeJP NA NA +C13765 Tiapamil C26H37NO8S2 555.1961 NA KEGG NA NA +PJ005160 NEMY C23H33N5O9S 555.1999 NA PeJP NA NA +PJ005161 SSTMM C20H37N5O9S2 555.2033 NA PeJP NA NA +PJ005162 GNNDH C20H29N9O10 555.2038 NA PeJP NA NA +C12475 Desmethyldescarbamoylnovobiocin C29H33NO10 555.2104 NA KEGG NA NA +MJ080432 Aklavine; N-De-Me C29H33NO10 555.210446 NA MeJP NA NA +MJ080433 Auramycin C; 4'-Deglycosyl C29H33NO10 555.210446 NA MeJP NA NA +PJ005163 CDRY C22H33N7O8S 555.2112 NA PeJP NA NA +PJ005164 GMYW C27H33N5O6S 555.2152 NA PeJP NA NA +PJ005165 GSTEY C23H33N5O11 555.2177 NA PeJP NA NA +PJ005166 QMMF C24H37N5O6S2 555.2185 NA PeJP NA NA +PJ005167 ACCLF C24H37N5O6S2 555.2186 NA PeJP NA NA +MJ080434 Saframycin A; Decyano, 14?-hydroxy, ring E hydroquinone C28H33N3O9 555.221679 NA MeJP NA NA +PJ005168 AAEEH C22H33N7O10 555.2289 NA PeJP NA NA +PJ005169 CMFR C23H37N7O5S2 555.2298 NA PeJP NA NA +MJ080435 Antibiotic UCH 15A; N4'-Hydroxy C23H29N11O6 555.230227 NA MeJP NA NA +MJ080436 Pyrronamycin A; 7'-N-Hydroxy C23H29N11O6 555.230227 NA MeJP NA NA +PJ005170 STYW C27H33N5O8 555.2329 NA PeJP NA NA +PJ005171 DKMY C24H37N5O8S 555.2363 NA PeJP NA NA +PJ005172 GSQQH C21H33N9O9 555.2401 NA PeJP NA NA +PJ005173 DEHR C21H33N9O9 555.2402 NA PeJP NA NA +7711 NA GWNNLHEGW~ 555.2429 MH2+ Inhouse_peptide NA peptide +PJ005174 VDHW C26H33N7O7 555.2442 NA PeJP NA NA +MJ080437 Nicotaxine C30H37NO9 555.246831 NA MeJP NA NA +PJ005175 SMRY C23H37N7O7S 555.2475 NA PeJP NA NA +PJ005176 GFFW C31H33N5O5 555.2482 NA PeJP NA NA +PJ005177 SSSLY C24H37N5O10 555.2541 NA PeJP NA NA +PJ005178 KMMF C25H41N5O5S2 555.2549 NA PeJP NA NA +2879 opioid fragment of beta-lipotropin L-enkephalin YGGFL 555.257 antibacterial Inhouse_peptide NA peptide +8122 secretory peptide hormone - (Leu)enkephalin YGGFL 555.257 anticancer Inhouse_peptide NA peptide +7804 ACE inhibitor from as2-casein ALNEINQFY 555.2609 MH2+ Inhouse_peptide NA peptide +MJ080438 Viridenomycin C34H37NO6 555.262087 NA MeJP NA NA +PJ005179 GTLEH C23H37N7O9 555.2653 NA PeJP NA NA +HMDB01045 Enkephalin L C28H37N5O7 555.269287 NA HMDB2010 NA NA +HMDB01045 Enkephalin L C28H37N5O7 555.26929 http://www.hmdb.ca/metabolites/HMDB01045 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01045 Enkephalin L C28H37N5O7 555.26929 http://www.hmdb.ca/metabolites/HMDB01045 HMDB NA NA +HMDB01045 Enkephalin L C28H37N5O7 555.26929 NA ;SYN:Thyroxine sulfate; Thyroxine sulfic acid;L-Thyroxine sulfate; T4S; 3,5,3',5'-tetraiodo-L-thyronine 4'-O-sulfate; 3-[4-(4-hydroxy-3,5-diiodophenoxy-4-O-sulfate)-3,5-diiodophenyl]-L-alanine; O-(4-hydroxy-3,5-diiodophenyl-4-O-sulfate)-3,5-diiodo-L-tyrosine; 3,5,3',5'-tetraiodo-L-thyronine 4-O-sulfate; L-Thyroxine 4'-O-sulfateH2Blood Inhouse_peptide NA peptide +HMDB01045 Enkephalin L C28H37N5O7 555.26929 http://www.hmdb.ca/metabolites/HMDB01045 PFEM_hmdb_metabocards_blood NA blood +HMDB01045 Enkephalin L C28H37N5O7 555.26929 HMDB01045 PFEM_hmdb_metabocards_official NA NA +PJ005180 VQFY C28H37N5O7 555.2693 NA PeJP NA NA +2917 neuropeptide from eyestalk of Macrobrachium rosenb SDRNFLRFG 555.2724 MH2+ Inhouse_peptide NA peptide +MJ080439 Butirosin A C21H41N5O12 555.275171 NA MeJP NA NA +MJ080440 Nebramycin factor 7 C21H41N5O12 555.275171 NA MeJP NA NA +C17585 Butirosin A C21H41N5O12 555.2752 NA KEGG NA NA +C17586 Butirosin B C21H41N5O12 555.2752 NA KEGG NA NA +C17997 Oxyapramycin C21H41N5O12 555.2752 NA KEGG NA NA +PJ005181 GSQKH C22H37N9O8 555.2765 NA PeJP NA NA +PJ005182 TLHW C27H37N7O6 555.2805 NA PeJP NA NA +PJ005183 GPVHF C27H37N7O6 555.2806 NA PeJP NA NA +MJ080441 Beiwudine C31H41NO8 555.283217 NA MeJP NA NA +MJ080442 Pyrohypaconitine C31H41NO8 555.283217 NA MeJP NA NA +PJ005184 GVLMH C24H41N7O6S 555.2839 NA PeJP NA NA +PJ005185 PPTLE C25H41N5O9 555.2905 NA PeJP NA NA +PJ005186 PHFR C26H37N9O5 555.2918 NA PeJP NA NA +PJ005187 LMHR C23H41N9O5S 555.2952 NA PeJP NA NA +PJ005188 SSLLH C24H41N7O8 555.3017 NA PeJP NA NA +PJ005189 VKFY C29H41N5O6 555.3057 NA PeJP NA NA +PJ005190 PPVLM C26H45N5O6S 555.3091 NA PeJP NA NA +3793 NA QRPR 555.312 ACE inhibitor Inhouse_peptide NA peptide +PJ005191 GPVQR C23H41N9O7 555.3129 NA PeJP NA NA +MJ080443 Pateamine C31H45N3O4S 555.313077 NA MeJP NA NA +MJ080444 Talatizamine; O1,O18-Di-de-Me, O8,O14-di-Me, 18-O-(2-methoxybenzoyl) C32H45NO7 555.319602 NA MeJP NA NA +PJ005192 PQRR C22H41N11O6 555.3242 NA PeJP NA NA +PJ005193 PVVLE C26H45N5O8 555.3268 NA PeJP NA NA +EUR900 Lyso PE 22:2 [M+Na]+ C27H52NO7P 555.330088 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR900 Lyso PE 22:2 [M+Na]+ C27H52NO7P 555.330088 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR900 Lyso PE 22:2 [M+Na]+ C27H52NO7P 555.330088 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR900 Lyso PE 22:2 [M+Na]+ C27H52NO7P 555.330088 masses lipides attendues Inhousejuil11 NA NA +EUR791 Lyso PC 22:5 [M-H-CH3]- C30H52NO7P 555.332492 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR791 Lyso PC 22:5 [M-H-CH3]- C30H52NO7P 555.332492 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR791 Lyso PC 22:5 [M-H-CH3]- C30H52NO7P 555.332492 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR791 Lyso PC 22:5 [M-H-CH3]- C30H52NO7P 555.332492 masses lipides attendues Inhousejuil11 NA NA +PJ005194 SPPKK C25H45N7O7 555.3381 NA PeJP NA NA +PJ005195 GPVKR C24H45N9O6 555.3493 NA PeJP NA NA +EUR707 Lyso PE (20:0) [M+FA-H]- C25H52NO7P 555.353022 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR862 Lyso PE 20:0 [M+FA-H]- C25H52NO7P 555.353022 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR707 Lyso PE (20:0) [M+FA-H]- C25H52NO7P 555.353022 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR862 Lyso PE 20:0 [M+FA-H]- C25H52NO7P 555.353022 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR707 Lyso PE (20:0) [M+FA-H]- C25H52NO7P 555.353022 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR862 Lyso PE 20:0 [M+FA-H]- C25H52NO7P 555.353022 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR707 Lyso PE (20:0) [M+FA-H]- C25H52NO7P 555.353022 masses lipides attendues Inhousejuil11 NA NA +EUR862 Lyso PE 20:0 [M+FA-H]- C25H52NO7P 555.353022 masses lipides attendues Inhousejuil11 NA NA +EUR658 Lyso PC 16:0 [M-H+acetate]- C24H50NO7P 555.353592 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR658 Lyso PC 16:0 [M-H+acetate]- C24H50NO7P 555.353592 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR658 Lyso PC 16:0 [M-H+acetate]- C24H50NO7P 555.353592 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR658 Lyso PC 16:0 [M-H+acetate]- C24H50NO7P 555.353592 masses lipides attendues Inhousejuil11 NA NA +PJ005196 PKRR C23H45N11O5 555.3605 NA PeJP NA NA +MJ080445 Fellutamide A; 1''-Deoxy C27H49N5O7 555.363198 NA MeJP NA NA +PJ005197 PTLLL C27H49N5O7 555.3632 NA PeJP NA NA +PJ005198 APLKK C26H49N7O6 555.3745 NA PeJP NA NA +PJ005199 VVLLL C28H53N5O6 555.3996 NA PeJP NA NA +MJ080446 Didemniserinolipid A; O-De-Ac C31H57NO7 555.413503 NA MeJP NA NA +HMDB10697 Ceramide (t18:0/16:0) C34H69NO4 555.522644 NA HMDB2010 NA NA +MJ080447 2-Amino-1,3,4-octadecanetriol, N-Hexadexanoyl C34H69NO4 555.522659 NA MeJP NA NA +3123 a1-chain of collagen fr,:431-438 PAGKNGETGPQG 555.75445 MH2+ Inhouse_peptide NA peptide +3684 NA KKFHIRKR 555.847 MH2+ Inhouse_peptide NA peptide +MJ080448 Almagate C2H14Al2Mg6O20 555.881171 NA MeJP NA NA +MJ080449 Echinosulfonic acid C C19H14Br2N2O6S 555.893932 NA MeJP NA NA +FL5FADNSS005 Isorhamnetin 3,7,4'-tri-O-sulfate C16H12O16S3 555.92874 79175-00-1 knapsack NA NA +FL5FCCNSS002 Rhamnetin 3,5,4'-tri-O-sulfate C16H12O16S3 555.92874 - knapsack NA NA +FL5FCCNSS004 Quercetin 7-methyl ether 3,3',4'-trisulfate;Rhamnetin 3,3',4'-trisulfate;2-[3,4-Bis(sulfooxy)phenyl]-5-hydroxy-7-methoxy-3-(sulfooxy)-4H-1-benzopyran-4-one C16H12O16S3 555.92874 116353-84-5 knapsack NA NA +MJ080450 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3,3',4'-Tri-O-sulfate C16H12O16S3 555.928746 NA MeJP NA NA +MJ080451 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3,4',7-Tri-O-sulfate C16H12O16S3 555.928746 NA MeJP NA NA +MJ080452 3'-Phosphoadenylylselenate C10H16N5O13P2Se 555.938505 NA MeJP NA NA +MJ080453 Mauritamide A C15H22Br2N6O5S 555.973913 NA MeJP NA NA +MJ080454 5,7,8-Trihydroxy-4'-methoxyflavone; 8-O-(2-O-Sulfo-?-D-glucuronopyranoside) C22H20O15S 556.05229 NA MeJP NA NA +FL3FFAGSS003 Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucuronide);5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranosiduronic acid 2-(hydrogen sulfate) C22H20O15S 556.05229 351223-97-7 knapsack NA NA +MJ080455 Cassiamin C; 6-Hydroxy, 7-chloro C30H17ClO9 556.056109 NA MeJP NA NA +MJ080456 Leptosin F C25H24N4O3S4 556.073123 NA MeJP NA NA +MJ080457 Amentoflavone; 2'',3''-Dihydro, 5'''-hydroxy (S-) C30H20O11 556.100561 NA MeJP NA NA +MJ080458 Dicranolomin; 3'''-Deoxy, 2,3-dihydro C30H20O11 556.100561 NA MeJP NA NA +MJ080459 Ephedrannin A C30H20O11 556.100561 NA MeJP NA NA +MJ080460 Fuscofusarin C30H20O11 556.100561 NA MeJP NA NA +MJ080461 Hegoflavone A C30H20O11 556.100561 NA MeJP NA NA +MJ080462 Morelloflavone C30H20O11 556.100561 NA MeJP NA NA +MJ080463 Robustaflavone; 5'''-Hydroxy, 2,3-dihydro C30H20O11 556.100561 NA MeJP NA NA +MJ080464 Volkensiflavone, 3'-Hydroxy C30H20O11 556.100561 NA MeJP NA NA +MJ080465 Volkensiflavone, 3''-Hydroxy C30H20O11 556.100561 NA MeJP NA NA +PJ005200 CCCND C17H28N6O9S3 556.108 NA PeJP NA NA +MJ080466 Salvianolic acid K C27H24O13 556.12169 NA MeJP NA NA +MJ080467 Oxysceptrin; Monodebromo C22H25BrN10O3 556.129447 NA MeJP NA NA +MJ080468 Cefluprenam C20H25FN8O6S2 556.13225 NA MeJP NA NA +C08995 Aurasperone D C31H24O10 556.1369 NA KEGG NA NA +MJ080469 Amentoflavone; 2,2'',3,3''-Tetrahydro, 7-Me ether C31H24O10 556.136946 NA MeJP NA NA +MJ080470 Aurasperone C; 2,2'-Dideoxy, 2,2',3,3'-tetradehydro C31H24O10 556.136946 NA MeJP NA NA +MJ080471 Aurasperone D C31H24O10 556.136946 NA MeJP NA NA +MJ080472 Chamaejasmin, 4'-Me ether C31H24O10 556.136946 NA MeJP NA NA +MJ080473 Nigerone; 6-O-De-Me C31H24O10 556.136946 NA MeJP NA NA +MJ080474 Ochnaflavone; 2,2'',3,3''-Tetrahydro, 7-Me ether C31H24O10 556.136946 NA MeJP NA NA +MJ080475 Rubioncolin B C31H24O10 556.136946 NA MeJP NA NA +MJ080476 [p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2'-Benzoyl, 3',5',6'-tri-Ac C31H24O10 556.136946 NA MeJP NA NA +MJ080477 Adoxosidic acid; 10-O-(4-Carboxy-2,5-dihydroxybenzoyl) C24H28O15 556.14282 NA MeJP NA NA +PJ005201 SCCNM C18H32N6O8S3 556.1444 NA PeJP NA NA +FL63ACGS0025 Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate;(2R,3R)-3-(Benzoyloxy)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-2H-1-benzopyran-5-yl beta-D-glucopyranoside C28H28O12 556.15807 323586-47-6 knapsack NA NA +MJ080478 3,3',4',5,7-Pentahydroxyflavan, 3-Benzoyl, 5-O-?-D-glucopyranoside C28H28O12 556.158076 NA MeJP NA NA +MJ080479 3-(4-Hydroxyphenyl)-2-propenoic acid, O-[4-Hydroxy-E-cinnamoyl-(?6)-2,4-di-O-acetyl-?-D-glucopyranoside] C28H28O12 556.158076 NA MeJP NA NA +MJ080480 Diphyllin; O-[3-O-Methyl-?-D-glucopyranoside] C28H28O12 556.158076 NA MeJP NA NA +MJ080481 Iresinoside C28H28O12 556.158076 NA MeJP NA NA +MJ080482 Niceritrol C29H24N4O8 556.159413 NA MeJP NA NA +PJ005202 GSSTCC C18H32N6O10S2 556.1622 NA PeJP NA NA +MJ080483 Camptothecin, 9-Methoxy, 10-?-D-glucopyranosyloxy C27H28N2O11 556.169309 NA MeJP NA NA +MJ080484 Desoxycordifolinic acid C27H28N2O11 556.169309 NA MeJP NA NA +MJ080485 6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 3?,4?:13?,14?-Diepoxide, 2,9,12-tri-Ac C26H33ClO11 556.171139 NA MeJP NA NA +MJ080486 7-Hydroxy-4'-methoxyisoflavan-2',5'-quinone(4?5')-2',7-dihydroxy-4'-methoxyisoflavan C32H28O9 556.173332 NA MeJP NA NA +MJ080487 Anhydrophlegmacin-9,10-quinone A2; 10-Deoxo C32H28O9 556.173332 NA MeJP NA NA +MJ080488 Shikometabolin A C32H28O9 556.173332 NA MeJP NA NA +MJ080489 Shikometabolin B C32H28O9 556.173332 NA MeJP NA NA +MJ080490 Torosanin C32H28O9 556.173332 NA MeJP NA NA +PJ005203 GCCQF C22H32N6O7S2 556.1774 NA PeJP NA NA +C11668 7-Dehydrologanin tetraacetate C25H32O14 556.1792 NA KEGG NA NA +C11669 Deutzioside pentaacetate C25H32O14 556.1792 NA KEGG NA NA +MJ080491 2-Acetyl-1,3,6,8-naphthalenetetrol; 1,6-Di-Me ether, 3-O-?-D-apiofuranoside, 8-O-?-D-glucopyranoside C25H32O14 556.179205 NA MeJP NA NA +MJ080492 5-Acetonyl-6-glucosyl-7-hydroxy-2-methyl-4H-1-benzopyran-4-one; 2''-O-?-D-Glucopyranoside C25H32O14 556.179205 NA MeJP NA NA +MJ080493 Isoaloesin; 2''-O-?-D-Glucopyranoside C25H32O14 556.179205 NA MeJP NA NA +MJ080494 Ligustaloside B; 3'-Hydroxy C25H32O14 556.179205 NA MeJP NA NA +MJ080495 Oleuropein; 10-Hydroxy C25H32O14 556.179205 NA MeJP NA NA +PJ005204 SSSSSC C18H32N6O12S 556.1799 NA PeJP NA NA +PJ005205 TCCCK C19H36N6O7S3 556.1808 NA PeJP NA NA +PJ005206 DEMY C23H32N4O10S 556.1839 NA PeJP NA NA +PJ005207 GNDDH C20H28N8O11 556.1878 NA PeJP NA NA +MJ080496 Aloesinol, 1'-Hydroxy, 7-Me ether, 2''-O-cinnamoyl(E-) C29H32O11 556.194461 NA MeJP NA NA +MJ080497 Aloesinol, 7-Me ether, 2''-O-(4-hydroxycinnamoyl)(E-) C29H32O11 556.194461 NA MeJP NA NA +MJ080498 Cordyanhydride B C29H32O11 556.194461 NA MeJP NA NA +MJ080499 Deacylkadsulignan E; 7'-Angeloyl, 7-Ac C29H32O11 556.194461 NA MeJP NA NA +MJ080500 Dehydroaustinol; 7?-Acetoxy, Ac C29H32O11 556.194461 NA MeJP NA NA +MJ080501 Vertisporin; 7',8'-Didehydro, 2',3'-epoxide, 14'-ketone C29H32O11 556.194461 NA MeJP NA NA +PJ005208 GSCQY C22H32N6O9S 556.1952 NA PeJP NA NA +PJ005209 EMMF C24H36N4O7S2 556.2026 NA PeJP NA NA +MJ080502 4-[(4-Bromophenyl)(ethoxyimino)methyl]-1'-[(2,4-dimethyl-3-pyridinyl)carbonyl]-4'-methyl-1,4'-bipiperidine, N-Oxide C28H37BrN4O3 556.204903 NA MeJP NA NA +MJ080503 Macrolidine C28H32N2O10 556.205695 NA MeJP NA NA +PJ005210 SPCNH C21H32N8O8S 556.2064 NA PeJP NA NA +MJ080504 Punaglandin 1 C27H37ClO10 556.207525 NA MeJP NA NA +MJ080505 Khelmarin A C33H32O8 556.209718 NA MeJP NA NA +MJ080506 Nordenletin C33H32O8 556.209718 NA MeJP NA NA +MJ080507 Piperaduncin C C33H32O8 556.209718 NA MeJP NA NA +PJ005211 SSSNY C22H32N6O11 556.2129 NA PeJP NA NA +PJ005212 GCCKF C23H36N6O6S2 556.2138 NA PeJP NA NA +MJ080508 15,16-Epoxy-1,2,4,8-tetrahydroxy-18,19-dinor-13(16),14-clerodadien-17,12-olide, 1-Ac, 4-O-?-D-glucopyranoside C26H36O13 556.215591 NA MeJP NA NA +MJ080509 5-Isopropyl-3-methyl-1,2,7-naphthalenetriol; 2,7-Di-O-?-D-glucopyranoside C26H36O13 556.215591 NA MeJP NA NA +MJ080510 Glaucarubol; 2-Ketone, 15-O-?-D-glucopyranoside C26H36O13 556.215591 NA MeJP NA NA +MJ080511 Urceolatoside B C26H36O13 556.215591 NA MeJP NA NA +C11666 11-Hydroxyiridodial glucoside pentaacetate C26H36O13 556.2156 NA KEGG NA NA +C11667 8-epi-11-Hydroxyiridodial glucoside pentaacetate C26H36O13 556.2156 NA KEGG NA NA +PJ005213 PDYY C27H32N4O9 556.2169 NA PeJP NA NA +PJ005214 DEFF C27H32N4O9 556.217 NA PeJP NA NA +PJ005215 GSQEH C21H32N8O10 556.2242 NA PeJP NA NA +PJ005216 NNFY C26H32N6O8 556.2282 NA PeJP NA NA +MJ080512 Ehletianol C C30H36O10 556.230847 NA MeJP NA NA +MJ080513 Javanicin S; 2-Ac C30H36O10 556.230847 NA MeJP NA NA +MJ080514 Leptolepisol A C30H36O10 556.230847 NA MeJP NA NA +MJ080515 Obacunol; 6?-Acetoxy, 7-Ac C30H36O10 556.230847 NA MeJP NA NA +MJ080516 Orbicuside B; 12-Ketone C30H36O10 556.230847 NA MeJP NA NA +MJ080517 Sesquimarocanol A C30H36O10 556.230847 NA MeJP NA NA +PJ005217 GSCKY C23H36N6O8S 556.2316 NA PeJP NA NA +C18157 3-Vinylbacteriochlorophyllide d C33H32MgN4O3 556.2325 NA KEGG NA NA +PJ005218 PMFY C28H36N4O6S 556.2356 NA PeJP NA NA +MJ080518 6,8'-Bismurrayamine A C36H32N2O4 556.236207 NA MeJP NA NA +MJ080519 8,8'-Bismurrayamine A C36H32N2O4 556.236207 NA MeJP NA NA +MJ080520 Kwangsine C36H32N2O4 556.236207 NA MeJP NA NA +MJ080521 Urabaine C36H32N2O4 556.236207 NA MeJP NA NA +PJ005219 LMMY C25H40N4O6S2 556.2389 NA PeJP NA NA +PJ005220 SQHW C25H32N8O7 556.2394 NA PeJP NA NA +MJ080522 Cinepaxadil C29H36N2O9 556.24208 NA MeJP NA NA +PJ005221 AAQMH C22H36N8O7S 556.2428 NA PeJP NA NA +MJ080523 6-Chloro-2,8,9,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 13?,14?-Epoxide, 12-hexanoyl, 2-Ac C28H41ClO9 556.24391 NA MeJP NA NA +C09113 Ingenol 3,20-dibenzoate C34H36O7 556.2461 NA KEGG NA NA +MJ080524 11,14,15-Trihydroxy-3,12-cyathadien-17-oic acid, 14-Ketone, 11,15-dibenzoyl C34H36O7 556.246103 NA MeJP NA NA +MJ080525 11,14,15-Trihydroxy-3,12-cyathadien-17-oic acid; 14-Ketone, 11,15-dibenzoyl C34H36O7 556.246103 NA MeJP NA NA +MJ080526 Ingenol; 20-Deoxy, 16-benzoyloxy, 3-benzoyl C34H36O7 556.246103 NA MeJP NA NA +MJ080527 Ingenol; 3,20-Dibenzoyl C34H36O7 556.246103 NA MeJP NA NA +MJ080528 Iryantherin G C34H36O7 556.246103 NA MeJP NA NA +PJ005222 SPPQE C23H36N6O10 556.2493 NA PeJP NA NA +2735 regulating the frequency of heart muscles contraction peptide IWGCSGKLIC 556.2495 MH2+ Inhouse_peptide NA peptide +MJ080529 Jaspolinaloside C27H40O12 556.251976 NA MeJP NA NA +MJ080530 Javanicinoside I C27H40O12 556.251976 NA MeJP NA NA +MJ080531 Loganic acid; 6'-(6-Hydroxy-2E,6-dimethyl-2,7-octadienoyl), Me ester C27H40O12 556.251976 NA MeJP NA NA +MJ080532 Loganic acid; 7-(6-Hydroxy-2E,6-dimethyl-2,7-octadienoyl), Me ester C27H40O12 556.251976 NA MeJP NA NA +MJ080533 Picconioside II C27H40O12 556.251976 NA MeJP NA NA +PJ005223 VEFY C28H36N4O8 556.2533 NA PeJP NA NA +PJ005224 NMHR C21H36N10O6S 556.254 NA PeJP NA NA +7403 celiac sprue gluten epitope found in secalin PYPQQPQQQ 556.2545 MH2+ Inhouse_peptide NA peptide +MJ080534 Butirosin A; 6'-Deamino, 6'-hydroxy C21H40N4O13 556.259187 NA MeJP NA NA +MJ080535 Saccharocin; 3'-Hydroxy C21H40N4O13 556.259187 NA MeJP NA NA +PJ005225 ATTQH C22H36N8O9 556.2605 NA PeJP NA NA +PJ005226 GSKEH C22H36N8O9 556.2606 NA PeJP NA NA +PJ005227 GPPTW C27H36N6O7 556.2646 NA PeJP NA NA +MJ080536 11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 10-Benzoyl, 7,9-di-Ac C31H40O9 556.267232 NA MeJP NA NA +MJ080537 4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 2-Benzoyl, 9,10-di-Ac C31H40O9 556.267232 NA MeJP NA NA +MJ080538 Detigloylswietenine; 3-(2-Methylpropanoyl) C31H40O9 556.267232 NA MeJP NA NA +MJ080539 Humilinolide C; 2,3-Dideacyl, 3-(2-methylpropanoyl) C31H40O9 556.267232 NA MeJP NA NA +MJ080540 Microphyllinic acid; 2'-Me ether, Me ester C31H40O9 556.267232 NA MeJP NA NA +MJ080541 Roridin E; 13'-Ac C31H40O9 556.267232 NA MeJP NA NA +MJ080542 Xylocarpin; 3-O-De-Ac, 3-O-(2-methylpropanoyl) C31H40O9 556.267232 NA MeJP NA NA +PJ005228 PPVNM C24H40N6O7S 556.2679 NA PeJP NA NA +PJ005229 GGPPVM C24H40N6O7S 556.268 NA PeJP NA NA +PJ005230 PFFF C32H36N4O5 556.2686 NA PeJP NA NA +MJ080543 Tripynadine C32H37ClN6O 556.271737 NA MeJP NA NA +PJ005231 GSTHR C21H36N10O8 556.2718 NA PeJP NA NA +PJ005232 LMFF C29H40N4O5S 556.272 NA PeJP NA NA +7371 celiac sprue gluten epitope found in hordein PQQLPQQQF 556.273 MH2+ Inhouse_peptide NA peptide +7378 celiac sprue gluten epitope found in hordein QLPQQQFPQ 556.273 MH2+ Inhouse_peptide NA peptide +7404 celiac sprue gluten epitope found in secalin QFPQQPQQI 556.273 MH2+ Inhouse_peptide NA peptide +PJ005233 SKHW C26H36N8O6 556.2758 NA PeJP NA NA +MJ080544 Pacifidine C30H40N2O8 556.278466 NA MeJP NA NA +PJ005234 GPPMR C23H40N8O6S 556.2792 NA PeJP NA NA +PJ005235 SPPKE C24H40N6O9 556.2857 NA PeJP NA NA +MJ080545 10(20)-Grayanotoxene-3,5,6,14,16-pentol, O6-Ac, 3-O-?-D-glucopyranoside C28H44O11 556.288362 NA MeJP NA NA +MJ080546 3,6,9-Trihydroxy-13-labden-16,15-olide, 3-O-?-D-Glucopyranoside, 6-Ac C28H44O11 556.288362 NA MeJP NA NA +MJ080547 Nigakihemiacetal C; 12-Me ether, 16-O-?-D-glucopyranoside(16?-) C28H44O11 556.288362 NA MeJP NA NA +MJ080548 N-Methyltyrosyl-N-methyltyrosylleucylalanine; L-L-L-form C29H40N4O7 556.289699 NA MeJP NA NA +PJ005236 VLYY C29H40N4O7 556.2897 NA PeJP NA NA +MJ080549 Chaetoglobosin K C34H40N2O5 556.293722 NA MeJP NA NA +PJ005237 GPVER C23H40N8O8 556.2969 NA PeJP NA NA +MJ080550 Dronedarone C31H44N2O5S 556.297093 NA MeJP NA NA +PJ005238 AAPLW C28H40N6O6 556.301 NA PeJP NA NA +C08797 Cucurbitacin E C32H44O8 556.3036 NA KEGG NA NA +MJ080551 2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione, 20-Ac C32H44O8 556.303618 NA MeJP NA NA +MJ080552 2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione, 25-Ac C32H44O8 556.303618 NA MeJP NA NA +MJ080553 3,12-Dihydroxy-23-oxoeupha-7,24-dien-21,16-olid-28-oic acid, 3-Ac C32H44O8 556.303618 NA MeJP NA NA +MJ080554 3,16,20,25-Tetrahydroxycucurbita-1(10),5,23-triene-2,11,22-trione, 25-Ac C32H44O8 556.303618 NA MeJP NA NA +MJ080555 9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 16-Hydroxy, 12-(2E,4E-decadienoyl), 13-Ac C32H44O8 556.303618 NA MeJP NA NA +MJ080556 Havanensin; Tri-Ac C32H44O8 556.303618 NA MeJP NA NA +MJ080557 Milbemycin ?3; 23S-Hydroxy, 5-ketone C32H44O8 556.303618 NA MeJP NA NA +MJ080558 Oscillatoxin D; 30?-Methyl C32H44O8 556.303618 NA MeJP NA NA +MJ080559 Salannic acid; 1-(3-Methylbutanoyl), Me ester C32H44O8 556.303618 NA MeJP NA NA +MJ080560 Superolivetoric acid; 2',4-Di-Me ether C32H44O8 556.303618 NA MeJP NA NA +MJ080561 Wikstrotoxin B C32H44O8 556.303618 NA MeJP NA NA +MetaCyc03850 cucurbitacin E [] C32H44O8 556.303618 NA metacyc NA NA +PJ005239 PPCLK C25H44N6O6S 556.3043 NA PeJP NA NA +PJ005240 PERR C22H40N10O7 556.3082 NA PeJP NA NA +3747 NA LGTIPG 556.309 ACE inhibitor Inhouse_peptide NA peptide +PJ005241 PVRW C27H40N8O5 556.3122 NA PeJP NA NA +MJ080562 Hennoxazole A; 4-Ac C31H44N2O7 556.314851 NA MeJP NA NA +MJ080563 Lappaconidine; O4-(2-Methylaminobenzoyl), O1-Me C31H44N2O7 556.314851 NA MeJP NA NA +PJ005242 APLKE C25H44N6O8 556.3221 NA PeJP NA NA +PJ005243 APTLR C24H44N8O7 556.3333 NA PeJP NA NA +MJ080564 3,22,25-Trihydroxy-12-oxo-13,15,17(20),23-isomalabaricatetraen-29-oic acid, 22-Me ether, 3-Ac C33H48O7 556.340003 NA MeJP NA NA +MJ080565 3,24,25-Trihydroxy-12-oxo-13,15,17(20),22-isomalabaricatetraen-29-oic acid, 24-Me ether, 3-Ac C33H48O7 556.340003 NA MeJP NA NA +MJ080566 Deoxyazadirachtolide C33H48O7 556.340003 NA MeJP NA NA +MJ080567 Kazusamycin C33H48O7 556.340003 NA MeJP NA NA +MJ080568 Milbemycin D C33H48O7 556.340003 NA MeJP NA NA +MJ080569 Milbemycin ?3; 5-Me ether C33H48O7 556.340003 NA MeJP NA NA +7485 ACE inhibitor (fr,198-202 of bovine as2-casein) TKVIP 556.345 antioxidative Inhouse_peptide NA peptide +MJ080570 Hennoxazole A; O2-De-Me, O2-butyl C32H48N2O6 556.351237 NA MeJP NA NA +PJ005244 SPLLK C26H48N6O7 556.3585 NA PeJP NA NA +PJ005245 GVLLR C25H48N8O6 556.3697 NA PeJP NA NA +MJ080571 12-Hydroxy-20,24-dimethyl-24-oxo-16-scalaren-25-al, 12-(3-Acetoxypentanoyl) C34H52O6 556.376389 NA MeJP NA NA +MJ080572 12-Hydroxy-20,24-dimethyl-24-oxo-16-scalaren-25-al, 12-(3-Propanoyloxybutanoyl) C34H52O6 556.376389 NA MeJP NA NA +MJ080573 2,19,25-Trihydroxy-1,12-ursadien-28-oic acid; 19?-form, 1-(2-Methylpropanoyl) C34H52O6 556.376389 NA MeJP NA NA +MJ080574 2,3-Dihydroxy-12-ursen-28-oic acid, Di-Ac C34H52O6 556.376389 NA MeJP NA NA +MJ080575 3,15-Dihydroxylanosta-8,24-dien-21-oic acid, Di-Ac C34H52O6 556.376389 NA MeJP NA NA +MJ080576 3,15-Dihydroxylanosta-8,24-dien-26-oic acid, Di-Ac C34H52O6 556.376389 NA MeJP NA NA +MJ080577 3-Hydroxy-12-oleanen-28-oic acid, 3-O-(3-Carboxypropanoyl) C34H52O6 556.376389 NA MeJP NA NA +MJ080578 3-Hydroxy-12-oleanene-28,29-dioic acid, 3-Ac, di-Me ester C34H52O6 556.376389 NA MeJP NA NA +MJ080579 C17-Obtusilactone dimer C34H52O6 556.376389 NA MeJP NA NA +MJ080580 Colletochin; O-(2R-Hydroxy-3S-methylpentanoyl) C34H52O6 556.376389 NA MeJP NA NA +MJ080581 Colletochin; O-(2R-Hydroxy-4-methylpentanoyl) C34H52O6 556.376389 NA MeJP NA NA +MJ080582 Deloxolone C34H52O6 556.376389 NA MeJP NA NA +MJ080583 YW 3699 C34H52O6 556.376389 NA MeJP NA NA +PJ005246 LLRR C24H48N10O5 556.3809 NA PeJP NA NA +PJ005247 ALLLK C27H52N6O6 556.3949 NA PeJP NA NA +MJ080584 12-Oleanene-3,16,22,28-tetrol, 16-Angeloyl C35H56O5 556.412774 NA MeJP NA NA +MJ080585 12-Oleanene-3,16,22,28-tetrol, 16-O-(3-Methyl-2-butenoyl) C35H56O5 556.412774 NA MeJP NA NA +MJ080586 12-Oleanene-3,16,22,28-tetrol, 16-Tigloyl C35H56O5 556.412774 NA MeJP NA NA +MJ080587 12-Oleanene-3,16,22,28-tetrol, 22-(3-Methyl-2-butenoyl) C35H56O5 556.412774 NA MeJP NA NA +MJ080588 12-Oleanene-3,16,22,28-tetrol, 22-Angeloyl C35H56O5 556.412774 NA MeJP NA NA +MJ080589 3,19-Dihydroxy-12-ursen-28-oic acid, 3-(3-Methylbutanoyl) C35H56O5 556.412774 NA MeJP NA NA +MJ080590 3,22-Dihydroxy-12-ursen-28-oic acid, 3-(3-Methylbutanoyl) C35H56O5 556.412774 NA MeJP NA NA +MJ080591 3-(3,7-Dimethyl-5-oxo-2,6-octadienyl)-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde; 5'-Deoxo, 1'-O-hexadecanoyl C35H56O5 556.412774 NA MeJP NA NA +MJ080592 2-Octaprenyl-6-methoxyphenol C39H56O2 556.428031 NA MeJP NA NA +MJ080593 12-Oleanen-3-ol, O-Cinnamoyl C39H56O2 556.428031 NA MeJP NA NA +MJ080594 12-Ursen-3-ol, Cinnamoyl C39H56O2 556.428031 NA MeJP NA NA +MJ080595 18-Oleanen-3-ol, O-Cinnamoyl C39H56O2 556.428031 NA MeJP NA NA +MJ080596 20(29)-Lupen-3-ol, Cinnamoyl C39H56O2 556.428031 NA MeJP NA NA +MJ080597 Eupha-8,24-dien-3-ol, O-Cinnamoyl C39H56O2 556.428031 NA MeJP NA NA +MJ080598 2-Alkyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 5,7-Dihydroxy-6,8-dimethyl-2-pentacosyl-4H-1-benzopyran-4-one C36H60O4 556.44916 NA MeJP NA NA +MJ080599 2-Heptacosyl-5,7-dihydroxy-4H-1-benzopyran-4-one C36H60O4 556.44916 NA MeJP NA NA +MJ080600 3-Methyl-29-(2,3,4,5-tetrahydroxypentyl)-6,11-hopadiene C36H60O4 556.44916 NA MeJP NA NA +C15892 Chloroxanthin C40H60O 556.4644 NA KEGG NA NA +C15893 Exendin-3 C40H60O 556.4644 NA KEGG NA NA +C15894 Exendin-4 C40H60O 556.4644 NA KEGG NA NA +MJ080601 7,7',8,8'-Tetrahydrolycopene; 1?,2?-Epoxide C40H60O 556.464416 NA MeJP NA NA +MJ080602 Rhodopin; 7',8'-Dihydro C40H60O 556.464416 NA MeJP NA NA +MJ080603 Rhapsamine C34H60N4O2 556.471627 NA MeJP NA NA +MJ080604 3-(4-Hydroxyphenyl)-2-propenoic acid, Octacosyl ester C37H64O3 556.485545 NA MeJP NA NA +MJ080605 8(17)-Labden-15-ol, Carboxylic acid, 9-octadecenyl ester C38H68O2 556.521931 NA MeJP NA NA +3124 a1-chain of collagen fr,:430-438 GPAGKDGEAGAQG 556.74445 MH2+ Inhouse_peptide NA peptide +MJ080606 3-Amino-2,4,6-triiodobenzoic acid; N-Ac C9H6I3NO3 556.748173 NA MeJP NA NA +C14164 Acetrizoic acid C9H6I3NO3 556.7482 NA KEGG NA NA +2844 orphanin FQ/nociceptin analog [FQ/N (1-11)] YGGFTGARKSA 556.771 MH2+ Inhouse_peptide NA peptide +MetaCyc03851 dermatan sulfate disaccharide [DUA-GalNAC-4S;] C14H23N1O18S2 557.035654 NA metacyc NA NA +FL3FFCGSS002 8-Hydroxyluteolin 4'-methyl ether 8-glucoside-3'-sulfate C22H21O15S 557.06011 131622-65-6 knapsack NA NA +PJ005248 CCCDD C17H27N5O10S3 557.092 NA PeJP NA NA +C08115 Cefpodoxime proxetil C21H27N5O9S2 557.125 NA KEGG NA NA +C08116 Transferred to D00921 C21H27N5O9S2 557.125 NA KEGG NA NA +MJ080607 Cefdaloxime; Me ether, 1-[[(1-methylethoxy)carbonyl]oxy]ethyl ester C21H27N5O9S2 557.125018 NA MeJP NA NA +PJ005249 SCCDM C18H31N5O9S3 557.1284 NA PeJP NA NA +PJ005250 ACCMM C19H35N5O6S4 557.147 NA PeJP NA NA +PJ005251 GCCEF C22H31N5O8S2 557.1614 NA PeJP NA NA +PJ005252 SSCMM C19H35N5O8S3 557.1648 NA PeJP NA NA +PJ005253 GDDDH C20H27N7O12 557.1718 NA PeJP NA NA +PJ005254 CCFW C26H31N5O5S2 557.1767 NA PeJP NA NA +PJ005255 GSCEY C22H31N5O10S 557.1792 NA PeJP NA NA +C11282 Azidopine C27H26F3N5O5 557.1886 NA KEGG NA NA +MJ080608 Azidopine C27H26F3N5O5 557.188603 NA MeJP NA NA +C12426 Rhodomycin D C28H31NO11 557.1897 NA KEGG NA NA +MJ080609 Baumycin C1; 8-De-Ac, 8-(1-hydroxyethyl) C28H31NO11 557.18971 NA MeJP NA NA +MJ080610 Carbolbicin; Me ester C28H31NO11 557.18971 NA MeJP NA NA +PJ005256 SPCDH C21H31N7O9S 557.1904 NA PeJP NA NA +PJ005257 SCYW C26H31N5O7S 557.1944 NA PeJP NA NA +PJ005258 SSSDY C22H31N5O12 557.1969 NA PeJP NA NA +PJ005259 NMMY C23H35N5O7S2 557.1978 NA PeJP NA NA +PJ005260 GCNQH C20H31N9O8S 557.2017 NA PeJP NA NA +MJ080611 Acrimarine A; 3-Me ether C32H31NO8 557.204966 NA MeJP NA NA +MJ080612 Aristoloterpenate I C32H31NO8 557.204966 NA MeJP NA NA +MJ080613 Aristophyllide A C32H31NO8 557.204966 NA MeJP NA NA +PJ005261 GSEEH C21H31N7O11 557.2082 NA PeJP NA NA +PJ005262 PVCCH C22H35N7O6S2 557.209 NA PeJP NA NA +PJ005263 APCMH C22H35N7O6S2 557.2091 NA PeJP NA NA +PJ005264 NDFY C26H31N5O9 557.2122 NA PeJP NA NA +PJ005265 GSTMY C23H35N5O9S 557.2156 NA PeJP NA NA +PJ005266 SSNNH C20H31N9O10 557.2194 NA PeJP NA NA +MJ080614 Uvarindole E C36H31NO5 557.220223 NA MeJP NA NA +PJ005267 SEHW C25H31N7O8 557.2234 NA PeJP NA NA +PJ005268 AAEMH C22H35N7O8S 557.2268 NA PeJP NA NA +MJ080615 Antibiotic LL-BM 547? C19H31N11O9 557.230621 NA MeJP NA NA +PJ005269 NMFF C27H35N5O6S 557.2308 NA PeJP NA NA +MJ080616 ?-L-Fucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-galactose; 2'',4'-Di-Me, N-Ac C22H39NO15 557.231969 NA MeJP NA NA +PJ005270 SSTTY C23H35N5O11 557.2333 NA PeJP NA NA +PJ005271 DMHR C21H35N9O7S 557.238 NA PeJP NA NA +PJ005272 GGGCKH C21H35N9O7S 557.2381 NA PeJP NA NA +PJ005273 CLHW C26H35N7O5S 557.2421 NA PeJP NA NA +PJ005274 ATTEH C22H35N7O10 557.2446 NA PeJP NA NA +PJ005275 QHHH C23H31N11O6 557.2459 NA PeJP NA NA +C12011 DMG-MINO C27H35N5O8 557.2486 NA KEGG NA NA +PJ005276 VNYY C27H35N5O8 557.2486 NA PeJP NA NA +PJ005277 PPVDM C24H39N5O8S 557.252 NA PeJP NA NA +PJ005278 GPNDR C21H35N9O9 557.2558 NA PeJP NA NA +PJ005279 PQQW C26H35N7O7 557.2598 NA PeJP NA NA +MJ080617 Nodusmicin; 9-(1H-Pyrrole-2-carboxylate), 18-Ac C30H39NO9 557.262481 NA MeJP NA NA +PJ005280 GTLMH C23H39N7O7S 557.2632 NA PeJP NA NA +PJ005281 APLEE C24H39N5O10 557.2697 NA PeJP NA NA +PJ005282 APPHH C25H35N9O6 557.2711 NA PeJP NA NA +MJ080618 N1,N10-Dicoumaroylspermidine; 3',3'',5',5''-Tetramethoxy C29H39N3O8 557.273715 NA MeJP NA NA +PJ005283 STTLH C23H39N7O9 557.2809 NA PeJP NA NA +PJ005284 GPQKE C23H39N7O9 557.281 NA PeJP NA NA +PJ005285 KHHH C24H35N11O5 557.2823 NA PeJP NA NA +PJ005286 TKFY C28H39N5O7 557.285 NA PeJP NA NA +PJ005287 PPTLM C25H43N5O7S 557.2883 NA PeJP NA NA +MJ080619 ?-[[3-(1H-Indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]benzenebutanoic acid C33H39N3O5 557.288971 NA MeJP NA NA +MJ080620 Propikacin C21H43N5O12 557.290821 NA MeJP NA NA +PJ005288 GPTQR C22H39N9O8 557.2922 NA PeJP NA NA +PJ005289 PQKW C27H39N7O6 557.2962 NA PeJP NA NA +MJ080621 Anopterine; 7?-Hydroxy C31H43NO8 557.298867 NA MeJP NA NA +MJ080622 Delcosine; O14-Benzoyl C31H43NO8 557.298867 NA MeJP NA NA +MJ080623 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-(2-Methylaminobenzoyl), 20-Ac C31H43NO8 557.298867 NA MeJP NA NA +MJ080624 Amphibine G C32H39N5O4 557.300204 NA MeJP NA NA +PJ005290 SPLLE C25H43N5O9 557.3061 NA PeJP NA NA +PJ005291 VHFR C26H39N9O5 557.3074 NA PeJP NA NA +MJ080625 Phomalide C30H43N3O7 557.3101 NA MeJP NA NA +PJ005292 GPKKE C24H43N7O8 557.3173 NA PeJP NA NA +PJ005293 GGGAALL C24H43N7O8 557.3174 NA PeJP NA NA +MJ080626 Nummularine P C29H43N5O6 557.321334 NA MeJP NA NA +PJ005294 PPVVF C29H43N5O6 557.3214 NA PeJP NA NA +PJ005295 PVVLM C26H47N5O6S 557.3247 NA PeJP NA NA +PJ005296 GPTKR C23H43N9O7 557.3286 NA PeJP NA NA +PJ005297 PKKW C28H43N7O5 557.3326 NA PeJP NA NA +PJ005298 VQRR C22H43N11O6 557.3398 NA PeJP NA NA +PJ005299 ALLLE C26H47N5O8 557.3425 NA PeJP NA NA +EUR895 Lyso PE 22:1 [M+Na]+ C27H54NO7P 557.345738 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR895 Lyso PE 22:1 [M+Na]+ C27H54NO7P 557.345738 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR895 Lyso PE 22:1 [M+Na]+ C27H54NO7P 557.345738 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR895 Lyso PE 22:1 [M+Na]+ C27H54NO7P 557.345738 masses lipides attendues Inhousejuil11 NA NA +EUR786 Lyso PC 22:4 [M-H-CH3]- C30H54NO7P 557.348142 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR786 Lyso PC 22:4 [M-H-CH3]- C30H54NO7P 557.348142 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR786 Lyso PC 22:4 [M-H-CH3]- C30H54NO7P 557.348142 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR786 Lyso PC 22:4 [M-H-CH3]- C30H54NO7P 557.348142 masses lipides attendues Inhousejuil11 NA NA +PJ005300 ARRR C21H43N13O5 557.351 NA PeJP NA NA +PJ005301 SPVKK C25H47N7O7 557.3537 NA PeJP NA NA +PJ005302 AALKR C24H47N9O6 557.365 NA PeJP NA NA +PJ005303 VKRR C23H47N11O5 557.3762 NA PeJP NA NA +PJ005304 SLLLL C27H51N5O7 557.3789 NA PeJP NA NA +PJ005305 GLLKK C26H51N7O6 557.3901 NA PeJP NA NA +C07553 Vecuronium C34H57N2O4 557.4318 NA KEGG NA NA +7311 celiac sprue gluten epitope from gamma-gliadin PFPQPQQQF 557.762 MH2+ Inhouse_peptide NA peptide +7377 celiac sprue gluten epitope found in hordein QFPQPQQPF 557.762 MH2+ Inhouse_peptide NA peptide +7380 celiac sprue gluten epitope found in hordein QQPFPQQPF 557.762 MH2+ Inhouse_peptide NA peptide +MJ080627 Phenobutiodil C10H9I3O3 557.768574 NA MeJP NA NA +7516 ACE inhibitor from myosin light chain RMLGQTPWK 557.7882 MH2+ Inhouse_peptide NA peptide +MJ080628 Tribromospirocacoxanthene; 7-Bromo C16H18Br4O2 557.80403 NA MeJP NA NA +MJ080629 Isoplagiochin C; 6',8',10',12-Tetrachloro C28H18Cl4O4 557.995919 NA MeJP NA NA +MJ080630 Isoplagiochin C; 6',8',10,14'-Tetrachloro C28H18Cl4O4 557.995919 NA MeJP NA NA +FL5FACGSS001 Quercetin 3-glucuronide-7-sulfate C21H18O16S 558.03155 56857-62-6 knapsack NA NA +FL5FACGSS002 Quercetin 3-glucuronide-3'-sulfate C21H18O16S 558.03155 - knapsack NA NA +MJ080631 3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Glucuronopyranoside, 3'-O-sulfate C21H18O16S 558.031555 NA MeJP NA NA +MJ080632 3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Glucuronopyranoside, 7-O-sulfate C21H18O16S 558.031555 NA MeJP NA NA +MJ080633 Napyradiomycin B1; 3'-Dechloro, 3'-bromo C25H29BrCl2O5 558.057542 NA MeJP NA NA +MJ080634 Purealidin H; O4-(3-Trimethylaminopropyl) C20H29Br2N6O3(+) 558.058964 NA MeJP NA NA +MJ080635 3',5,7,8-Tetrahydroxy-4'-methoxyflavone; 8-O-?-D-Glucopyranoside, 3'-O-sulfate C22H22O15S 558.06794 NA MeJP NA NA +MJ080636 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-?-D-Glucopyranoside, 7-O-sulfate C22H22O15S 558.06794 NA MeJP NA NA +FL5FAEGLS001 Tamarixetin 3-glucoside-7-sulfate;Quercetin 4'-methyl ether 3-glucoside-7-sulfate;3-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(sulfooxy)-4H-1-benzopyran-4-one C22H22O15S 558.06794 156606-91-6 knapsack NA NA +FL5FDCGSS001 Quercetin 3-methyl ether 5-glucoside-3'-sulfate C22H22O15S 558.06794 - knapsack NA NA +MJ080637 Isoxylospyrin C33H18O9 558.095082 NA MeJP NA NA +MJ080638 Xylospyrin C33H18O9 558.095082 NA MeJP NA NA +MJ080639 Periconin B C20H29Cl3N4O8 558.105097 NA MeJP NA NA +MJ080640 Peritoxin A; 4-Deoxy C20H29Cl3N4O8 558.105097 NA MeJP NA NA +MJ080641 Peritoxin A; 7''-Deoxy C20H29Cl3N4O8 558.105097 NA MeJP NA NA +PJ005306 CCCCQ C17H30N6O7S4 558.1059 NA PeJP NA NA +MJ080642 Halopredone; 17,21-Di-Ac C25H29BrF2O7 558.106472 NA MeJP NA NA +MJ080643 3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone C30H22O11 558.116211 NA MeJP NA NA +MJ080644 3,3'',4',4''',5,5'',7,7''-Octahydroxy-3',3'''-biflavanone; 3''-Deoxy C30H22O11 558.116211 NA MeJP NA NA +MJ080645 4',5,7-Trihydroxyflavanone(3?3')-?,2',4,4',6'-pentahydroxychalcone C30H22O11 558.116211 NA MeJP NA NA +MJ080646 4',5,7-Trihydroxyflavanone-(3?5)-2,4,4',6-tetrahydroxybenzylcoumaranone C30H22O11 558.116211 NA MeJP NA NA +MJ080647 4',5,7-Trihydroxyisoflavanone-(2?7)-2,4,4',6-tetrahydroxybenzylcoumaranone C30H22O11 558.116211 NA MeJP NA NA +MJ080648 4,4',6-Trihydroxybenzylcoumaranone(2?7)-2,4,4',6-tetrahydroxybenzylcoumaranone C30H22O11 558.116211 NA MeJP NA NA +MJ080649 4a-Oxyrugulosin C30H22O11 558.116211 NA MeJP NA NA +MJ080650 Androyol C30H22O11 558.116211 NA MeJP NA NA +MJ080651 Daphnodorin G C30H22O11 558.116211 NA MeJP NA NA +MJ080652 Galluflavanone C30H22O11 558.116211 NA MeJP NA NA +MJ080653 Genkwanol B C30H22O11 558.116211 NA MeJP NA NA +MJ080654 Jeediflavanone C30H22O11 558.116211 NA MeJP NA NA +MJ080655 Morelloflavone, 2'',3''-Dihydro C30H22O11 558.116211 NA MeJP NA NA +MJ080656 Rubroskyrin; 1-Deoxy C30H22O11 558.116211 NA MeJP NA NA +MJ080657 Rugulosin, 8-Hydroxy C30H22O11 558.116211 NA MeJP NA NA +MJ080658 Viomellein; 3,4-Didehydro C30H22O11 558.116211 NA MeJP NA NA +MJ080659 Zeyherin C30H22O11 558.116211 NA MeJP NA NA +MJ080660 Emitefur C28H19FN4O8 558.118691 NA MeJP NA NA +PJ005307 GSSCCC C17H30N6O9S3 558.1237 NA PeJP NA NA +MJ080661 Albanol B C34H22O8 558.131467 NA MeJP NA NA +MJ080662 Losulazine C27H22F4N4O3S 558.134874 NA MeJP NA NA +MJ080663 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 4'-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C27H26O13 558.13734 NA MeJP NA NA +MJ080664 1-(4-Hydroxyphenyl)-2-(2,3,5-trihydroxyphenyl)ethylene; 2-O-[3,4,5-Trihydroxybenzoyl-(?2)-?-D-glucopyranoside] C27H26O13 558.13734 NA MeJP NA NA +MJ080665 1-(4-Hydroxyphenyl)-2-(2,3,5-trihydroxyphenyl)ethylene; 2-O-[3,4,5-Trihydroxybenzoyl-(?3)-?-D-glucopyranoside] C27H26O13 558.13734 NA MeJP NA NA +MJ080666 Erigoster A C27H26O13 558.13734 NA MeJP NA NA +MJ080667 Vitisidin B; 3-O-(O-Acetyl-?-D-glucopyranoside) C27H27O13(+) 558.13734 NA MeJP NA NA +PJ005308 CCCCK C18H34N6O6S4 558.1423 NA PeJP NA NA +MJ080668 Asystasioside E; 10-(4-Methoxycinnamoyl)(E-) C25H31ClO12 558.150404 NA MeJP NA NA +MJ080669 Asystasioside E; 10-(4-Methoxycinnamoyl)(Z-) C25H31ClO12 558.150404 NA MeJP NA NA +MJ080670 3,4',5,7-Tetrahydroxyflavan(2?7,4?8)-3,4',5,7-tetrahydroxyflavan, 7-Me ether C31H26O10 558.152597 NA MeJP NA NA +MJ080671 7-[2-(3,4-Dihydroxyphenyl)-3,4-dihydro-3,7-dihydroxy-2H-1-benzopyran-6-yl]-5,6a,7,12a-tetrahydro[2]benzopyrano[4,3-b][1]benzopyran-3,4,10-triol C31H26O10 558.152597 NA MeJP NA NA +MJ080672 Cardinalin 4; 10a-Deoxy, 4a,10a-didehydro C31H26O10 558.152597 NA MeJP NA NA +MJ080673 Mazatlanone; 7-Methoxy, 1-Me ether C31H26O10 558.152597 NA MeJP NA NA +MJ080674 Mopanane(4?8)-3,3',4,7-tetrahydroxyflavan C31H26O10 558.152597 NA MeJP NA NA +MJ080675 Planifolin C31H26O10 558.152597 NA MeJP NA NA +PJ005309 GCCNY C21H30N6O8S2 558.1567 NA PeJP NA NA +MJ080676 Isoplagiochin G C35H26O7 558.167853 NA MeJP NA NA +MJ080677 Granaticin A; 15-O-(?-L-Rhodinopyranoside) C28H30O12 558.173726 NA MeJP NA NA +MJ080678 Physalin K C28H30O12 558.173726 NA MeJP NA NA +MJ080679 Pillaromycin A C28H30O12 558.173726 NA MeJP NA NA +PJ005310 DMMY C23H34N4O8S2 558.1818 NA PeJP NA NA +MJ080680 Alatrofloxacin C26H25F3N6O5 558.183852 NA MeJP NA NA +PJ005311 GCNEH C20H30N8O9S 558.1857 NA PeJP NA NA +MJ080681 15-Chloro-1,4-epoxy-5,8,9-trihydroxy-11(13)-germacren-12,6-olid-14-oic acid, 8-(2-Hydroxymethyl-2-butenoyl), 9-(2-methylbutanoyl), Me ester C26H35ClO11 558.186789 NA MeJP NA NA +MJ080682 4-(6',7-Dihydroxy-4'-methoxyisoflavan-3'-yl)-2',7-dihydroxy-4'-methoxyisoflavan, 3'-Hydroxy C32H30O9 558.188982 NA MeJP NA NA +MJ080683 Biscyclolobin C32H30O9 558.188982 NA MeJP NA NA +MJ080684 7-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid; Me ether, [?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C25H34O14 558.194855 NA MeJP NA NA +MJ080685 Peucedanol, 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C25H34O14 558.194855 NA MeJP NA NA +MJ080686 Peucedanol, 3'-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C25H34O14 558.194855 NA MeJP NA NA +C11662 7-Epiloganin tetraacetate C25H34O14 558.1949 NA KEGG NA NA +PJ005312 DDFY C26H30N4O10 558.1962 NA PeJP NA NA +MJ080687 Ustiloxin C C23H34N4O10S 558.199564 NA MeJP NA NA +PJ005313 MMMF C24H38N4O5S3 558.2005 NA PeJP NA NA +PJ005314 CNHW C24H30N8O6S 558.2009 NA PeJP NA NA +PJ005315 SSNDH C20H30N8O11 558.2034 NA PeJP NA NA +MJ080688 15-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 15-O-(2-O-p-Hydroxyphenylacetyl-?-D-glucopyranoside) C29H34O11 558.210111 NA MeJP NA NA +MJ080689 15-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 15-O-(6-O-p-Hydroxyphenylacetyl-?-D-glucopyranoside) C29H34O11 558.210111 NA MeJP NA NA +MJ080690 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-[4-Hydroxyphenylacetyl-(?6)-?-D-glucopyranoside] C29H34O11 558.210111 NA MeJP NA NA +MJ080691 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-O-(4-Hydroxyphenylacetyl), 3-O-?-D-glucopyranoside C29H34O11 558.210111 NA MeJP NA NA +MJ080692 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-[4-Hydroxyphenylacetyl-(?6)-?-D-glucopyranoside] C29H34O11 558.210111 NA MeJP NA NA +MJ080693 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-O-(4-Hydroxyphenylacetyl), 3-O-?-D-glucopyranoside C29H34O11 558.210111 NA MeJP NA NA +MJ080694 8,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 15-O-[4-Hydroxyphenylacetyl-(?2)-?-D-glucopyranoside] C29H34O11 558.210111 NA MeJP NA NA +MJ080695 9,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 15-O-[3-(4-Hydroxyphenyl)acetyl-?-D-glucopyranoside] C29H34O11 558.210111 NA MeJP NA NA +MJ080696 9,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 15-[4-(4-Hydroxyphenyl)acetyl-?-D-glucopyranoside] C29H34O11 558.210111 NA MeJP NA NA +MJ080697 9,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 15-[6-(4-Hydroxyphenyl)acetyl-?-D-glucopyranoside] C29H34O11 558.210111 NA MeJP NA NA +MJ080698 Brownin G C29H34O11 558.210111 NA MeJP NA NA +MJ080699 Crepiside C; 8-Epimer, 8-O-(p-hydroxyphenylacetyl) C29H34O11 558.210111 NA MeJP NA NA +MJ080700 Kadsurarin; O3-De-Me C29H34O11 558.210111 NA MeJP NA NA +MJ080701 Mutactimycin A; 4'-Me ether C29H34O11 558.210111 NA MeJP NA NA +MJ080702 Myrotoxin A; 12'-Epimer, 8?-acetoxy C29H34O11 558.210111 NA MeJP NA NA +MJ080703 Myrotoxin A; 8?-Acetoxy C29H34O11 558.210111 NA MeJP NA NA +MJ080704 Physalin D; 5-Me ether C29H34O11 558.210111 NA MeJP NA NA +MJ080705 Trijugin A C29H34O11 558.210111 NA MeJP NA NA +MJ080706 Vertisporin; 7',8'-Didehydro, 2',3'-epoxide C29H34O11 558.210111 NA MeJP NA NA +PJ005316 PPCNE C22H34N6O9S 558.2108 NA PeJP NA NA +PJ005317 DMFF C27H34N4O7S 558.2148 NA PeJP NA NA +MJ080707 Trigilletimine C35H30N2O5 558.215472 NA MeJP NA NA +MJ080708 Antibiotic FR 901375 C24H38N4O7S2 558.21819 NA MeJP NA NA +PJ005318 GSQMH C21H34N8O8S 558.2221 NA PeJP NA NA +MJ080709 Olmesartan; (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl ester C29H30N6O6 558.222682 NA MeJP NA NA +MJ080710 Punaglandin 1; 17,18-Dihydro C27H39ClO10 558.223175 NA MeJP NA NA +MJ080711 Cassumunarin A C33H34O8 558.225368 NA MeJP NA NA +MJ080712 Cassumunin A C33H34O8 558.225368 NA MeJP NA NA +MJ080713 Cassumunin C C33H34O8 558.225368 NA MeJP NA NA +MJ080714 Napsagatran C26H34N6O6S 558.226053 NA MeJP NA NA +PJ005319 GPPCW C26H34N6O6S 558.2261 NA PeJP NA NA +PJ005320 GPQEE C22H34N6O11 558.2286 NA PeJP NA NA +PJ005321 EHHH C23H30N10O7 558.2299 NA PeJP NA NA +MJ080715 4,12-Tetradecadiene-8,10-diyne-1,6,7-triol; 6-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C26H38O13 558.231241 NA MeJP NA NA +MJ080716 Glaucarubol; 15-O-?-D-Glucopyranoside C26H38O13 558.231241 NA MeJP NA NA +MJ080717 Glaucarubol; 2-O-?-D-Glucopyranoside C26H38O13 558.231241 NA MeJP NA NA +MJ080718 Isojasminin; 4''-Hydroxy C26H38O13 558.231241 NA MeJP NA NA +MJ080719 Jasminin; 2''?-Hydroxy C26H38O13 558.231241 NA MeJP NA NA +PJ005322 VDYY C27H34N4O9 558.2326 NA PeJP NA NA +PJ005323 GSCHR C20H34N10O7S 558.2333 NA PeJP NA NA +PJ005324 GPDDR C21H34N8O10 558.2398 NA PeJP NA NA +PJ005325 PQEW C26H34N6O8 558.2438 NA PeJP NA NA +MJ080720 Affinoside F; 16,17-Didehydro C30H38O10 558.246497 NA MeJP NA NA +MJ080721 Nomilinic acid; Lactone, 7-deoxo, 7?-acetoxy C30H38O10 558.246497 NA MeJP NA NA +MJ080722 O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone, 3'-Ketone, O-?-D-glucopyranoside C30H38O10 558.246497 NA MeJP NA NA +MJ080723 Orbicuside B C30H38O10 558.246497 NA MeJP NA NA +MJ080724 Picrasin C; 11-De-Ac, 11-O-(3-methoxy-4,5-methylenedioxybenzoyl) C30H38O10 558.246497 NA MeJP NA NA +MJ080725 Schizantherin K C30H38O10 558.246497 NA MeJP NA NA +MJ080726 Sesquimarocanol B C30H38O10 558.246497 NA MeJP NA NA +MJ080727 Xylocarpin; 6R-Hydroxy, O-de-Ac, 3-O-propanoyl C30H38O10 558.246497 NA MeJP NA NA +PJ005326 SPPQM C23H38N6O8S 558.2472 NA PeJP NA NA +MJ080728 Phycocyanobilin C31H34N4O6 558.247834 NA MeJP NA NA +MJ080729 Phytochromobilin C31H34N4O6 558.247834 NA MeJP NA NA +MJ080730 Urobilins C31H34N4O6 558.247834 NA MeJP NA NA +MJ080731 3,6-Dihydroxypregn-9(11)-en-20-one, 6-O-(6-Deoxy-?-D-glucopyranoside), 3-O-sulfate C27H42O10S 558.249868 NA MeJP NA NA +PJ005327 VMFY C28H38N4O6S 558.2512 NA PeJP NA NA +HMDB05006 Atorvastatin C33H35FN2O5 558.25299 http://www.hmdb.ca/metabolites/HMDB05006 HMDB NA NA +HMDB05006 Atorvastatin C33H35FN2O5 558.25299 HMDB05006 PFEM_hmdb_metabocards_official NA NA +HMDB05006 Atorvastatin C33H35FN2O5 558.252991 NA HMDB2010 NA NA +C06834 Atorvastatin C33H35FN2O5 558.253 NA KEGG NA NA +MJ080732 Atorvastatin C33H35FN2O5 558.253 NA MeJP NA NA +7370 celiac sprue gluten epitope found in hordein PQPYPQQPY 558.254 MH2+ Inhouse_peptide NA peptide +7375 celiac sprue gluten epitope found in hordein PYPQQPQPY 558.254 MH2+ Inhouse_peptide NA peptide +PJ005328 QQHF C25H34N8O7 558.2551 NA PeJP NA NA +PJ005329 SPPCR C22H38N8O7S 558.2584 NA PeJP NA NA +PJ005330 APWW C30H34N6O5 558.2591 NA PeJP NA NA +MJ080733 4-Chloro-7(14)-bisabolene-1,2,3,8,10,11-hexol, 11-Me ether, 1,8-diangeloyl, 2-Ac C28H43ClO9 558.25956 NA MeJP NA NA +MJ080734 4-Chloro-7(14)-bisabolene-1,2,3,8,10,11-hexol, 11-Me ether, 2,8-diangeloyl, 1-Ac C28H43ClO9 558.25956 NA MeJP NA NA +MJ080735 11,14,15-Trihydroxy-3,12-cyathadien-17-oic acid, 11,15-Dibenzoyl C34H38O7 558.261753 NA MeJP NA NA +MJ080736 11,14,15-Trihydroxy-3,12-cyathadien-17-oic acid; 11,15-Dibenzoyl C34H38O7 558.261753 NA MeJP NA NA +PJ005331 GPKEE C23H38N6O10 558.265 NA PeJP NA NA +3585 NA PQAFP 558.267 ACE inhibitor Inhouse_peptide NA peptide +MJ080737 1,6,15-Trihydroxy-4(15),11(13)-eudesmadien-12-oic acid; 1-(2-Hydroxy-3-methylbutanoyl), 15-O-?-D-glucopyranoside, Me ester C27H42O12 558.267626 NA MeJP NA NA +MJ080738 2,3,12-Calamenenetriol; 3-Me ether, 11-epimer, 12-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H42O12 558.267626 NA MeJP NA NA +MJ080739 2,3,12-Calamenenetriol; 3-Me ether, 12-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H42O12 558.267626 NA MeJP NA NA +MJ080740 Javanicinoside D C27H42O12 558.267626 NA MeJP NA NA +MJ080741 Javanicinoside L C27H42O12 558.267626 NA MeJP NA NA +MJ080742 Picconioside III; 6'',7''-Dihydro C27H42O12 558.267626 NA MeJP NA NA +MJ080743 Solanascone; 3?-Hydroxy, 3-O-?-sophoroside C27H42O12 558.267626 NA MeJP NA NA +PJ005332 TLYY C28H38N4O8 558.269 NA PeJP NA NA +MJ080744 4-(1,3-Benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid C33H38N2O6 558.272986 NA MeJP NA NA +PJ005333 GPTER C22H38N8O9 558.2762 NA PeJP NA NA +MJ080745 Annomuricatin A C27H38N6O7 558.280197 NA MeJP NA NA +PJ005334 PKEW C27H38N6O7 558.2802 NA PeJP NA NA +2618 synthetic fr,of human beta-CN (97-101) ACE inhibitor GRVMP 558.2824 NA Inhouse_peptide NA peptide +MJ080746 1,2,6,9-Tetrahydroxydihydro-?-agarofuran, 9-Benzoyl, 2-(2-methylbutanoyl), 1,6-di-Ac C31H42O9 558.282882 NA MeJP NA NA +MJ080747 4,9,13,16,20-Pentahydroxy-1,6-tigliadien-3-one, 16-(2-Methylpropanoyl), 13-angeloyl, 20-Ac C31H42O9 558.282882 NA MeJP NA NA +MJ080748 Citreohybridone D; 23-Carboxylic acid, Me ester C31H42O9 558.282882 NA MeJP NA NA +MJ080749 Glycinoeclepin B C31H42O9 558.282882 NA MeJP NA NA +PJ005335 SPPKM C24H42N6O7S 558.2836 NA PeJP NA NA +PJ005336 VFFF C32H38N4O5 558.2842 NA PeJP NA NA +PJ005337 QQQR C21H38N10O8 558.2874 NA PeJP NA NA +PJ005338 GGGGGVR C21H38N10O8 558.2875 NA PeJP NA NA +PJ005339 PTRW C26H38N8O6 558.2914 NA PeJP NA NA +PJ005340 GAKHF C26H38N8O6 558.2915 NA PeJP NA NA +MJ080750 Macbecin I C30H42N2O8 558.294116 NA MeJP NA NA +MJ080751 Ranaconine; O4-(2-Aminobenzoyl) C30H42N2O8 558.294116 NA MeJP NA NA +MJ080752 Sepaconitine C30H42N2O8 558.294116 NA MeJP NA NA +PJ005341 GPVMR C23H42N8O6S 558.2948 NA PeJP NA NA +FL5FAANR0001 Denticulaflavonol;(-)-6-[(2E)-5-(Decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-2-pentenyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C35H42O6 558.29813 443776-53-2 knapsack NA NA +PJ005342 NNRR C20H38N12O7 558.2987 NA PeJP NA NA +PJ005343 PTTLQ C24H42N6O9 558.3013 NA PeJP NA NA +PJ005344 SPVKE C24H42N6O9 558.3014 NA PeJP NA NA +MJ080753 Petuniasterone A C32H46O6S 558.301509 NA MeJP NA NA +MJ080754 Petuniasterone C; 22-O-[(Methylthio)carbonyl]acetyl C32H46O6S 558.301509 NA MeJP NA NA +MJ080755 7(14)-Bisabolene-1,2,3,4,5,8,10,11-octol; 2-Angeloyl, 5,8-bis(2-methylpropanoyl) C28H46O11 558.304012 NA MeJP NA NA +PJ005345 PMRR C22H42N10O5S 558.3061 NA PeJP NA NA +PJ005346 AALER C23H42N8O8 558.3126 NA PeJP NA NA +PJ005347 LLQW C28H42N6O6 558.3166 NA PeJP NA NA +MJ080756 2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 25-Ac C32H46O8 558.319268 NA MeJP NA NA +MJ080757 3,11,14-Trihydroxybufa-20,22-dienolide, 3-O-(7-Carboxyheptanoyl) C32H46O8 558.319268 NA MeJP NA NA +MJ080758 3,16,20,25-Tetrahydroxycucurbita-1(10),5,23-triene-2,11,22-trione, 23,24-Dihydro, 25-Ac C32H46O8 558.319268 NA MeJP NA NA +MJ080759 3,16,20,25-Tetrahydroxycucurbita-5,23-diene-2,11,22-trione, 25-Ac C32H46O8 558.319268 NA MeJP NA NA +MJ080760 Milbemycin ?1; 23S-Hydroxy, 5-Me ether C32H46O8 558.319268 NA MeJP NA NA +MJ080761 Milbemycin ?1; 26-Hydroxy, 5-Me ether C32H46O8 558.319268 NA MeJP NA NA +MJ080762 Milbemycin ?3; 23S-Hydroxy C32H46O8 558.319268 NA MeJP NA NA +MJ080763 Milbemycin ?3; 26-Hydroxy C32H46O8 558.319268 NA MeJP NA NA +MJ080764 Petuniasterone P1 C32H46O8 558.319268 NA MeJP NA NA +MJ080765 Petuniolide B C32H46O8 558.319268 NA MeJP NA NA +MJ080766 Piscidinol D; 16-Deoxy C32H46O8 558.319268 NA MeJP NA NA +MJ080767 Vilasinin; 20,21,22,23-Tetrahydro, 23-oxo, 1-(2-methylpropanoyl), 3-Ac C32H46O8 558.319268 NA MeJP NA NA +MetaCyc03852 cucurbitacin B [] C32H46O8 558.319268 NA metacyc NA NA +C08794 Cucurbitacin B C32H46O8 558.3193 NA KEGG NA NA +PJ005348 APLKM C25H46N6O6S 558.32 NA PeJP NA NA +PJ005349 VERR C22H42N10O7 558.3238 NA PeJP NA NA +PJ005350 VVRW C27H42N8O5 558.3278 NA PeJP NA NA +PJ005351 GLLKE C25H46N6O8 558.3377 NA PeJP NA NA +MJ080768 Erythromycin; 5-De(glucosyloxy), 12-deoxy, 5-oxo C29H50O10 558.340397 NA MeJP NA NA +PJ005352 GTLLR C24H46N8O7 558.349 NA PeJP NA NA +PJ005353 LLKW C29H46N6O5 558.353 NA PeJP NA NA +MJ080769 12,20-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Hydroxybutanoyl), 20-Ac C33H50O7 558.355653 NA MeJP NA NA +MJ080770 2,3-Dihydroxy-12-oleanene-28,30-dioic acid, 2-Ac, 28-Me ester C33H50O7 558.355653 NA MeJP NA NA +MJ080771 2,3-Dihydroxy-12-oleanene-28,30-dioic acid, 3-Ac, 28-Me ester C33H50O7 558.355653 NA MeJP NA NA +MJ080772 Auripyrone A C33H50O7 558.355653 NA MeJP NA NA +MJ080773 Cholesta-5,22-diene-2,3,16,18-tetrol, 2,16,18-Tri-Ac C33H50O7 558.355653 NA MeJP NA NA +MJ080774 Milbemycin ?2 C33H50O7 558.355653 NA MeJP NA NA +PJ005354 QKKR C23H46N10O6 558.3602 NA PeJP NA NA +MJ080775 3,13-Dihydroxy-11-oleanen-28-oic acid, 28?13 Lactone, 3-benzoyl C37H50O4 558.37091 NA MeJP NA NA +MJ080776 3-Hydroxy-11,13(18)-oleanadien-28-oic acid, 3-Benzoyl C37H50O4 558.37091 NA MeJP NA NA +MJ080777 Celastromelidine C38H46N4 558.372247 NA MeJP NA NA +MJ080778 Celastromeline C38H46N4 558.372247 NA MeJP NA NA +MJ080779 Strempeliopsis Bisindole base C38H46N4 558.372247 NA MeJP NA NA +PJ005355 SVLLK C26H50N6O7 558.3741 NA PeJP NA NA +MJ080780 Dasypogalactone C30H54O9 558.376783 NA MeJP NA NA +PJ005356 GVKKK C25H50N8O6 558.3854 NA PeJP NA NA +MJ080781 3,11,13-Trihydroxy-12-oleananone, 3,11-Di-Ac C34H54O6 558.392039 NA MeJP NA NA +MJ080782 Glutinopallal; O5-Octadecanoyl C34H54O6 558.392039 NA MeJP NA NA +MJ080783 Stigmasta-8,14,22-triene-3,5-diol, 3-O-?-D-Xylopyranoside C34H54O6 558.392039 NA MeJP NA NA +PJ005357 KKKR C24H50N10O5 558.3966 NA PeJP NA NA +MJ080784 Stigmasta-5,22-dien-3-ol, 3-O-(4-Hydroxycinnamoyl) C38H54O3 558.407295 NA MeJP NA NA +HMDB07048 DG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C35H58O5 558.428406 NA HMDB2010 NA NA +HMDB07328 DG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)/0:0) C35H58O5 558.428406 NA HMDB2010 NA NA +MJ080785 Stigmasta-5,24(28)-dien-3-ol, 3-O-?-L-Rhamnopyranoside C35H58O5 558.428424 NA MeJP NA NA +MJ080786 20(29)-Lupen-3-ol, 3-Phenylpropanoyl C39H58O2 558.443681 NA MeJP NA NA +MJ080787 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 4'-Me ether, hexacosyl ester C36H62O4 558.46481 NA MeJP NA NA +MJ080788 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Hexacosyl ester C36H62O4 558.46481 NA MeJP NA NA +MJ080789 3-Methyl-29-(2,3,4,5-tetrahydroxypentyl)-11-hopene C36H62O4 558.46481 NA MeJP NA NA +MJ080790 3-Methyl-29-(2,3,4,5-tetrahydroxypentyl)-6-hopene C36H62O4 558.46481 NA MeJP NA NA +MJ080791 2-Alkenyl-4,6-dimethoxyphenols; 2,4-Dimethoxy-6-(20-nonacosenyl)phenol C37H66O3 558.501195 NA MeJP NA NA +MJ080792 5-Alkenyl-2,6-dimethoxyphenols; 2,6-Dimethoxy-4-(20-nonacosenyl)phenol C37H66O3 558.501195 NA MeJP NA NA +MJ080793 Epomusenin A C37H66O3 558.501195 NA MeJP NA NA +MJ080794 Epomusenin B C37H66O3 558.501195 NA MeJP NA NA +MJ080795 Docosahydrocarotene C40H78 558.610352 NA MeJP NA NA +MJ080796 Lycopadiene C40H78 558.610352 NA MeJP NA NA +HMDB01178 Adenosine diphosphate ribose C15H23N5O14P2 559.071655 NA HMDB2010 NA NA +HMDB12276 Phosphoribosyl-AMP C15H23N5O14P2 559.071655 NA HMDB2010 NA NA +HMDB01178 Adenosine diphosphate ribose C15H23N5O14P2 559.07166 http://www.hmdb.ca/metabolites/HMDB01178 HMDB NA NA +HMDB01178 Adenosine diphosphate ribose C15H23N5O14P2 559.07166 HMDB01178 PFEM_hmdb_metabocards_official NA NA +MJ080797 Adenosine diphosphate ribose C15H23N5O14P2 559.071673 NA MeJP NA NA +MJ080798 Phosphoribosyl-AMP C15H23N5O14P2 559.071673 NA MeJP NA NA +MetaCyc03853 phosphoribosyl-AMP [1-(5-Phosphoribosyl)-AMP;N1-(5-phospho-D-ribosyl)-AMP;5-phosphoribosyl-AMP;N-(5-phospho-D-ribosyl)-AMP;N-(5'-phospho-D-ribosyl)-AMP;] C15H23N5O14P2 559.071673 NA metacyc NA NA +MetaCyc03854 ADP-ribose [ADP-D-ribose;adenosine diphosphate ribose;] C15H23N5O14P2 559.071673 20762-30-5 metacyc NA NA +C00301 ADP-ribose C15H23N5O14P2 559.0717 NA KEGG NA NA +C01882 ADP-D-ribose C15H23N5O14P2 559.0717 NA KEGG NA NA +C01883 Acetic ester C2H3O2R 559.0717 NA KEGG NA NA +C01884 Acyldolichol C21H35O2R 559.0717 NA KEGG NA NA +C01885 1-Acylglycerol C4H7O4R 559.0717 NA KEGG NA NA +C01887 Alkylnitrile CNR 559.0717 NA KEGG NA NA +C02741 Phosphoribosyl-AMP C15H23N5O14P2 559.0717 NA KEGG NA NA +C02743 Protein L-cysteine C4H6N2O2SR2 559.0717 NA KEGG NA NA +PJ005358 CCCCE C17H29N5O8S4 559.0899 NA PeJP NA NA +MJ080799 Gadoteric acid C16H25GdN4O8 559.091339 NA MeJP NA NA +MJ080800 Deacylconvolutamide; N-Tetradecanoyl C24H35Br2NO4 559.093283 NA MeJP NA NA +PJ005359 TCCCM C18H33N5O7S4 559.1263 NA PeJP NA NA +MJ080801 Gadoteridol C17H29GdN4O7 559.127724 NA MeJP NA NA +C11911 dTDP-D-desosamine C18H31N3O13P2 559.1332 NA KEGG NA NA +C11919 dTDP-L-megosamine C18H31N3O13P2 559.1332 NA KEGG NA NA +C18031 dTDP-D-angolosamine C18H31N3O13P2 559.1332 NA KEGG NA NA +MJ080802 dTDP-D-desosamine C18H31N3O13P2 559.133211 NA MeJP NA NA +PJ005360 GCCDY C21H29N5O9S2 559.1407 NA PeJP NA NA +PJ005361 GCCMF C22H33N5O6S3 559.1593 NA PeJP NA NA +PJ005362 GCDEH C20H29N7O10S 559.1697 NA PeJP NA NA +PJ005363 GSCMY C22H33N5O8S2 559.1771 NA PeJP NA NA +MJ080803 Lamellarin H; 7-Hydroxy, 5,6-dihydro, 7,8,9,12,13,21-hexa-Me ether C31H29NO9 559.184231 NA MeJP NA NA +MJ080804 Neoacrimarine K C31H29NO9 559.184231 NA MeJP NA NA +PJ005364 CDHW C24H29N7O7S 559.1849 NA PeJP NA NA +PJ005365 SSDDH C20H29N7O12 559.1874 NA PeJP NA NA +PJ005366 PTCCH C21H33N7O7S2 559.1883 NA PeJP NA NA +PJ005367 SSTCY C22H33N5O10S 559.1948 NA PeJP NA NA +MJ080805 Obelmycin A C28H33NO11 559.20536 NA MeJP NA NA +MJ080806 Obelmycin G; 7-Hydroxy C28H33NO11 559.20536 NA MeJP NA NA +PJ005368 GSEMH C21H33N7O9S 559.2061 NA PeJP NA NA +PJ005369 CQFY C26H33N5O7S 559.2101 NA PeJP NA NA +PJ005370 GPEEE C22H33N5O12 559.2126 NA PeJP NA NA +PJ005371 SMHW C25H33N7O6S 559.2213 NA PeJP NA NA +PJ005372 SSTEH C21H33N7O11 559.2238 NA PeJP NA NA +PJ005373 AAMMH C22H37N7O6S2 559.2247 NA PeJP NA NA +PJ005374 SQYY C26H33N5O9 559.2278 NA PeJP NA NA +PJ005375 PEEW C26H33N5O9 559.2279 NA PeJP NA NA +MJ080807 Clathrynamide A; N-(1-Methyl-4-oxopentyl) C30H42BrNO4 559.229721 NA MeJP NA NA +PJ005376 SPPEM C23H37N5O9S 559.2312 NA PeJP NA NA +PJ005377 GNNQQ C20H33N9O10 559.2351 NA PeJP NA NA +PJ005378 GSPNW C25H33N7O8 559.2391 NA PeJP NA NA +PJ005379 ATTMH C22H37N7O8S 559.2425 NA PeJP NA NA +PJ005380 CKFY C27H37N5O6S 559.2465 NA PeJP NA NA +PJ005381 SPVEE C23H37N5O11 559.249 NA PeJP NA NA +PJ005382 PPCLM C24H41N5O6S2 559.2498 NA PeJP NA NA +7714 NA AWQSLQSGWG 559.2505 MH2+ Inhouse_peptide NA peptide +PJ005383 GPCQR C21H37N9O7S 559.2537 NA PeJP NA NA +PJ005384 AHFW C29H33N7O5 559.2543 NA PeJP NA NA +PJ005385 TTTTH C22H37N7O10 559.2602 NA PeJP NA NA +8235 Antioxidative peptide AGWNI 559.2639 NA ;SYN:(-)-Asparagine; (S)-2,4-Diamino-4-oxobutanoate; (S)-2,4-Diamino-4-oxobutanoic acid; (S)-Asparagine; 2-Aminosuccinamate; 2-Aminosuccinamic acid; Agedoite; Altheine; Asn; Asparagine; Asparagine acid; Asparamide; Aspartamate; Aspartamic acid; Aspartic acid amide; Aspartic acid b-amide; Aspartic acid beta amide; B2,4-(S)-diamino-4-oxo-utanoate; B2,4-(S)-diamino-4-oxo-utanoic acid; Crystal VI; L-2,4-Diamino-4-oxobutanoate; L-2,4-Diamino-4-oxobutanoic acid; L-Aspartamine; L-b-Asparagine; L-beta-Asparagine; a-Aminosuccinamate; a-Aminosuccinamic acid; alpha Amminosuccinamate; alpha Amminosuccinamic acid; alpha-Aminosuccinamate; alpha-Aminosuccinamic acid; l-AsparagineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ005386 SKYY C27H37N5O8 559.2642 NA PeJP NA NA +PJ005387 APLEM C24H41N5O8S 559.2676 NA PeJP NA NA +PJ005388 QQER C21H37N9O9 559.2714 NA PeJP NA NA +PJ005389 GAQER C21H37N9O9 559.2715 NA PeJP NA NA +MJ080808 2-[[2-[[2-[(2-Amino-3-mercaptopropyl)amino]-3-methylpentyl]oxy]-1-oxo-3-phenylpropyl]amino]-4-(methylsulfonyl)butanoic acid; Isopropyl ester C26H45N3O6S2 559.274977 NA MeJP NA NA +PJ005390 VQQW C26H37N7O7 559.2755 NA PeJP NA NA +PJ005391 GPQKM C23H41N7O7S 559.2788 NA PeJP NA NA +PJ005392 GGAPKM C23H41N7O7S 559.2789 NA PeJP NA NA +MJ080809 1,1-Dimethylethyl [1-(1H-indol-3-ylmethyl)-2-[[octahydro-1,3-dioxo-2-(phenylmethyl)-1H-pyrido[1,2-c]pyrimidin-5-yl]amino]-2-oxoethyl]carbamate C31H37N5O5 559.279469 NA MeJP NA NA +PJ005393 NDRR C20H37N11O8 559.2827 NA PeJP NA NA +PJ005394 GLLEE C24H41N5O10 559.2854 NA PeJP NA NA +PJ005395 AQRW C25H37N9O6 559.2867 NA PeJP NA NA +PJ005396 GPCKR C22H41N9O6S 559.2901 NA PeJP NA NA +EUR888 Lyso PE 20:5 [M-H+acetate]- C25H42NO7P 559.290992 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR888 Lyso PE 20:5 [M-H+acetate]- C25H42NO7P 559.290992 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR888 Lyso PE 20:5 [M-H+acetate]- C25H42NO7P 559.290992 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR888 Lyso PE 20:5 [M-H+acetate]- C25H42NO7P 559.290992 masses lipides attendues Inhousejuil11 NA NA +PJ005397 GVQKE C23H41N7O9 559.2966 NA PeJP NA NA +PJ005398 LLEW C28H41N5O7 559.3006 NA PeJP NA NA +PJ005399 SPLLM C25H45N5O7S 559.304 NA PeJP NA NA +PJ005400 QKER C22H41N9O8 559.3078 NA PeJP NA NA +MJ080810 Glycylalanylprolylmethionylphenylalanylvalinamide; 4-L-Alanine analogue C27H41N7O6 559.311832 NA MeJP NA NA +PJ005401 VQKW C27H41N7O6 559.3119 NA PeJP NA NA +C10280 Auriculine C31H45NO8 559.3145 NA KEGG NA NA +MJ080811 Merresectine B C31H45NO8 559.314517 NA MeJP NA NA +MJ080812 Paludosine C31H45NO8 559.314517 NA MeJP NA NA +MJ080813 Pregnane-3,8,12,14,17,20-hexol, O12-(2-Methylaminobenzoyl), O20-Ac C31H45NO8 559.314517 NA MeJP NA NA +PJ005402 GPKKM C24H45N7O6S 559.3152 NA PeJP NA NA +MJ080814 Americine; N-Me C32H41N5O4 559.315854 NA MeJP NA NA +MJ080815 Discarine I C32H41N5O4 559.315854 NA MeJP NA NA +MJ080816 Ergocryptam C32H41N5O4 559.315854 NA MeJP NA NA +PJ005403 TQRR C21H41N11O7 559.3191 NA PeJP NA NA +PJ005404 SVLLE C25H45N5O9 559.3218 NA PeJP NA NA +PJ005405 AKRW C26H41N9O5 559.3231 NA PeJP NA NA +PJ005406 GVKKE C24H45N7O8 559.333 NA PeJP NA NA +PJ005407 APLLF C29H45N5O6 559.337 NA PeJP NA NA +PJ005408 ALLLM C26H49N5O6S 559.3404 NA PeJP NA NA +PJ005409 KKER C23H45N9O7 559.3442 NA PeJP NA NA +PJ005410 VKKW C28H45N7O5 559.3482 NA PeJP NA NA +MJ080817 Lanepitant C33H45N5O3 559.35224 NA MeJP NA NA +PJ005411 TKRR C22H45N11O6 559.3555 NA PeJP NA NA +PJ005412 TTLLL C26H49N5O8 559.3581 NA PeJP NA NA +EUR890 Lyso PE 22:0 [M+Na]+ C27H56NO7P 559.361388 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR890 Lyso PE 22:0 [M+Na]+ C27H56NO7P 559.361388 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR890 Lyso PE 22:0 [M+Na]+ C27H56NO7P 559.361388 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR890 Lyso PE 22:0 [M+Na]+ C27H56NO7P 559.361388 masses lipides attendues Inhousejuil11 NA NA +PJ005413 ATLKK C25H49N7O7 559.3694 NA PeJP NA NA +MJ080818 Solanidine; O-?-D-Galactopyranoside C33H53NO6 559.387288 NA MeJP NA NA +MJ080819 Solanidine; O-?-D-Glucopyranoside C33H53NO6 559.387288 NA MeJP NA NA +MJ080820 Veralinine; Stereoisomer, 3-?-D-Glucopyranoside C33H53NO6 559.387288 NA MeJP NA NA +MJ080821 Verazine; 3-O-?-D-Glucopyranoside C33H53NO6 559.387288 NA MeJP NA NA +MJ080822 7,9(11)-Multifloradiene-3,29-diol; 3?-form, 3-O-(4-Aminobenzoyl) C37H53NO3 559.402544 NA MeJP NA NA +MJ080823 Pyrinodemin B; 4',5'-Didehydro(Z-) C37H57N3O 559.450163 NA MeJP NA NA +C18203 2,2',4,4',5-Pentabromodiphenyl ether C12H5Br5O 559.6257 NA KEGG NA NA +MJ080824 Antibiotic DC 1149B; Bromo analogue C20H21BrN2O8S2 559.992269 NA MeJP NA NA +MJ080825 [[9-(4-Iodophenyl)nonyl]telluro]pentanoic acid C20H31IO2Te 560.043096 NA MeJP NA NA +FL5FFCGSS001 Gossypetin 8-glucoside-3-sulfate C21H20O16S 560.0472 63109-35-3 knapsack NA NA +MJ080826 3,3',4',5,7,8-Hexahydroxyflavone; 8-O-?-D-Glucopyranoside, 3-O-sulfate C21H20O16S 560.047205 NA MeJP NA NA +MJ080827 Trichochrome B C23H20N4O9S2 560.067169 NA MeJP NA NA +MJ080828 Trichochrome C C23H20N4O9S2 560.067169 NA MeJP NA NA +C11460 dTDP-4-oxo-5-C-methyl-L-rhamnose C17H26N2O15P2 560.0808 NA KEGG NA NA +MJ080829 Xanthomegnin; O-De-Me C29H20O12 560.095476 NA MeJP NA NA +MJ080830 Sirodesmin A; Trisulfide homologue, 2a-Ac C22H28N2O9S3 560.095692 NA MeJP NA NA +MetaCyc03855 FAD stem group [] C15H26N6O13P2 560.103308 NA metacyc NA NA +MJ080831 Galpinone C33H20O9 560.110732 NA MeJP NA NA +MJ080832 Sulfamazone C23H24N6O7S2 560.114788 NA MeJP NA NA +FL5FFAGS0024 Herbacetin 8-(2'',3'',4''-triacetylxyloside) C26H24O14 560.1166 58902-13-9 knapsack NA NA +MJ080833 3,4',5,7,8-Pentahydroxyflavone; 8-O-(2,3,4-Tri-O-acetyl-?-D-xylopyranoside) C26H24O14 560.116605 NA MeJP NA NA +MJ080834 5-Carboxy-3,8-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)pyrano[4,3,2-de]-1-benzopyrylium; 3-O-?-D-Glucopyranoside C26H25O14(+) 560.116605 NA MeJP NA NA +MJ080835 Vitisidin A; 3-O-?-D-Glucopyranoside C26H25O14(+) 560.116605 NA MeJP NA NA +MJ080836 Ambewelamide A; 6-O-Debutanoyl, 6-hexanoyl C26H28N2O8S2 560.128707 NA MeJP NA NA +MJ080837 Scabrosine; 4'-Hexanoyl, 4-Ac C26H28N2O8S2 560.128707 NA MeJP NA NA +MJ080838 Scabrosine; Dibutanoyl C26H28N2O8S2 560.128707 NA MeJP NA NA +MJ080839 3',4',5,7-Tetrahydroxyflavan(4?8)-3',4',5,7-tetrahydroxyflavanone C30H24O11 560.131861 NA MeJP NA NA +MJ080840 3,4',5,7-Tetrahydroxyflavan(2?7,4?8)-3,3',5,5',7-pentahydroxyflavan C30H24O11 560.131861 NA MeJP NA NA +MJ080841 3,4',5,7-Tetrahydroxyflavan(2?7,4?8)-3,4',5,7-tetrahydroxyflavan, 3'-Hydroxy C30H24O11 560.131861 NA MeJP NA NA +MJ080842 3,4',5,7-Tetrahydroxyflavan(2?7,4?8)-3,4',5,7-tetrahydroxyflavan, 3'''-Hydroxy C30H24O11 560.131861 NA MeJP NA NA +MJ080843 3,4',7,8-Tetrahydroxyflavan(4?7,5?6)-3,4,4',7,8-pentahydroxyflavan C30H24O11 560.131861 NA MeJP NA NA +MJ080844 Viomellein C30H24O11 560.131861 NA MeJP NA NA +MJ080845 Mulberrofuran I C34H24O8 560.147117 NA MeJP NA NA +MJ080846 Mentzefoliol; 11-O-?-D-Glucopyranoside C21H33ClO15 560.150798 NA MeJP NA NA +MJ080847 3,3',4',5,7-Pentahydroxy-4-(2,4,6-trihydroxyphenyl)flavan, 3-O-?-L-Rhamnopyranoside C27H28O13 560.15299 NA MeJP NA NA +MJ080848 3,4-Di-O-caffeoylquinic acid; 5''-Methoxy, 3''-Me ether C27H28O13 560.15299 NA MeJP NA NA +MJ080849 Cassiaoccidentalin B; 3'-Deoxy C27H28O13 560.15299 NA MeJP NA NA +MJ080850 Maysin; 3'-Deoxy C27H28O13 560.15299 NA MeJP NA NA +FL3FAACS0056 3'-Deoxymaysin;Apimaysin;2,6-Anhydro-1-deoxy-5-O-(6-deoxy-alpha-L-mannopyranosyl)-6-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-xylo-3-hexulose C27H28O13 560.15299 74158-04-6 knapsack NA NA +FL3FAACS0078 Cassiaoccidentalin A;6-[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-L-ribo-hexopyranos-3-ulos-1-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C27H28O13 560.15299 259875-99-5 knapsack NA NA +MJ080851 ?-D-Glucopyranosyl-(1?3)-?-D-galactopyranuronosyl-(1?3)-D-mannose; 4'-Ac C20H32O18 560.158864 NA MeJP NA NA +MJ080852 11-Hydroxycanthin-6-one; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C26H28N2O12 560.164224 NA MeJP NA NA +MJ080853 5-Hydroxycanthin-6-one; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C26H28N2O12 560.164224 NA MeJP NA NA +MJ080854 Sucrose; 3'-O-(4-Hydroxy-3-methoxycinnamoyl), 1'-Ac C24H32O15 560.17412 NA MeJP NA NA +MJ080855 ?-L-Arabinofuranosyl-(1?3)-?-D-xylopyranosyl-(1?4)-D-xylose; Pyranose-form, 5''-(4-Hydroxy-E-cinnamoyl) C24H32O15 560.17412 NA MeJP NA NA +PJ005414 GCNMH C20H32N8O7S2 560.1836 NA PeJP NA NA +MJ080856 2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 14-(3-methyl-2-butenoyl), 9,13-di-Ac C28H32O12 560.189376 NA MeJP NA NA +MJ080857 Granatomycin D; 19-O-L-Rhodinoside C28H32O12 560.189376 NA MeJP NA NA +MJ080858 Mutactimycin A; 14-Hydroxy C28H32O12 560.189376 NA MeJP NA NA +MJ080859 Steffimycin; 7-Deoxo C28H32O12 560.189376 NA MeJP NA NA +PJ005415 CEFY C26H32N4O8S 560.1941 NA PeJP NA NA +MJ080860 Kohatine; 1',2',3',4'-Tetradehydro C34H28N2O6 560.194736 NA MeJP NA NA +MJ080861 5S-Carboxystrictosidine; Parent acid C27H32N2O11 560.200609 NA MeJP NA NA +PJ005416 SSCQH C20H32N8O9S 560.2013 NA PeJP NA NA +MJ080862 Lehmbachol A; O10-De-Me, O10-Et C32H32O9 560.204632 NA MeJP NA NA +PJ005417 SPNDE C21H32N6O12 560.2078 NA PeJP NA NA +PJ005418 GGSPDE C21H32N6O12 560.2079 NA PeJP NA NA +PJ005419 PPCNM C22H36N6O7S2 560.2087 NA PeJP NA NA +MJ080863 Suspensolide C C25H36O14 560.210505 NA MeJP NA NA +PJ005420 SEYY C26H32N4O10 560.2119 NA PeJP NA NA +MJ080864 Lanciferine; 10-Hydroxy C31H32N2O8 560.215866 NA MeJP NA NA +PJ005421 GSSSSH C20H32N8O11 560.2191 NA PeJP NA NA +PJ005422 ACCKH C21H36N8O6S2 560.22 NA PeJP NA NA +CJneg0646 Hydroxyretinoic Glucuronide (and isomers) [(M-H)+(HCOONa)]- C27H36NaO11 560.221325 C18rt(min)=8.95 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0646 Hydroxyretinoic Glucuronide (and isomers) [(M-H)+(HCOONa)]- C27H36NaO11 560.221325 C18rt(min)=8.95 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +PJ005423 GSPDW C25H32N6O9 560.2231 NA PeJP NA NA +MJ080865 14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(4-Hydroxyphenylacetyl), 15-O-?-D-glucopyranoside C29H36O11 560.225761 NA MeJP NA NA +MJ080866 3,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 3-O-[6-O-(4-Hydroxyphenylacetyl)-?-D-glucopyranoside] C29H36O11 560.225761 NA MeJP NA NA +MJ080867 5,20-Epoxy-1,2,4,7,10,13,14-heptahydroxy-11-taxen-9-one, 14-Benzoyl, 4-Ac C29H36O11 560.225761 NA MeJP NA NA +MJ080868 5,20-Epoxy-1,2,4,7,10,13,14-heptahydroxy-11-taxen-9-one, 2-Benzoyl, 4-Ac C29H36O11 560.225761 NA MeJP NA NA +MJ080869 8,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 15-O-[4-hydroxyphenylacetyl-(?2)-?-D-glucopyranoside] C29H36O11 560.225761 NA MeJP NA NA +MJ080870 Affinoside A; 3'-O-De-Me C29H36O11 560.225761 NA MeJP NA NA +MJ080871 Detigloylswietenine; 2?-Hydroxy, 8?,30?-epoxide, 3-Ac C29H36O11 560.225761 NA MeJP NA NA +MJ080872 Phragmalin C29H36O11 560.225761 NA MeJP NA NA +MJ080873 Syriobioside; 3',12-Diketone C29H36O11 560.225761 NA MeJP NA NA +C08870 Labriformidin C29H36O11 560.2258 NA KEGG NA NA +PJ005424 GPQEM C22H36N6O9S 560.2265 NA PeJP NA NA +PJ005425 MHHH C23H32N10O5S 560.2278 NA PeJP NA NA +MJ080874 Antibiotic CJ 12662 C29H37ClN2O7 560.228929 NA MeJP NA NA +PJ005426 CLYY C27H36N4O7S 560.2305 NA PeJP NA NA +MJ080875 Apateline; Me ether, 1,2-didehydro C35H32N2O5 560.231122 NA MeJP NA NA +PJ005427 NNQW C24H32N8O8 560.2343 NA PeJP NA NA +PJ005428 GPCER C21H36N8O8S 560.2377 NA PeJP NA NA +MJ080876 Morellin; (E)-Isomer, 29-carboxylic acid C33H36O8 560.241018 NA MeJP NA NA +MJ080877 Morellin; 29-Carboxylic acid C33H36O8 560.241018 NA MeJP NA NA +PJ005429 PQMW C26H36N6O6S 560.2417 NA PeJP NA NA +MJ080878 Chloramphenicol, Hexadecanoyl C27H42Cl2N2O6 560.241992 NA MeJP NA NA +C11726 Chloramphenicol palmitate C27H42Cl2N2O6 560.242 NA KEGG NA NA +PJ005430 GVQEE C22H36N6O11 560.2442 NA PeJP NA NA +PJ005431 GPNHH C23H32N10O7 560.2456 NA PeJP NA NA +MJ080879 Vincamajine; O-(3,4,5-Trimethoxybenzoyl) C32H36N2O7 560.252251 NA MeJP NA NA +PJ005432 PCRW C25H36N8O5S 560.253 NA PeJP NA NA +PJ005433 QEER C21H36N8O10 560.2555 NA PeJP NA NA +PJ005434 VQEW C26H36N6O8 560.2595 NA PeJP NA NA +MJ080880 2,3,5,11,14-Pentahydroxy-12-oxobufa-20,22-dienolide, 2-Ac, 3-(methylpropanoyl) C30H40O10 560.262147 NA MeJP NA NA +MJ080881 Affinoside B C30H40O10 560.262147 NA MeJP NA NA +MJ080882 Affinoside C; 4,5-Didehydro, 12-oxo, 11?-alcohol C30H40O10 560.262147 NA MeJP NA NA +MJ080883 Affinoside F C30H40O10 560.262147 NA MeJP NA NA +MJ080884 Affinoside R C30H40O10 560.262147 NA MeJP NA NA +MJ080885 Anodendroside F; 16,17-Didehydro,5?-form C30H40O10 560.262147 NA MeJP NA NA +MJ080886 Cauferin; 6'-O-?-D-Glucopyranoside C30H40O10 560.262147 NA MeJP NA NA +MJ080887 Scilliglaucogenin; 5-O-?-D-Glucopyranoside C30H40O10 560.262147 NA MeJP NA NA +MJ080888 Scilliglaucosidin; 3-O-?-D-Glucopyranoside C30H40O10 560.262147 NA MeJP NA NA +MJ080889 Xenicin; 8-Deacetyl, 8-acetoacetyl C30H40O10 560.262147 NA MeJP NA NA +PJ005435 GPKEM C23H40N6O8S 560.2629 NA PeJP NA NA +MJ080890 Phycoerythrobilin C31H36N4O6 560.263484 NA MeJP NA NA +PJ005436 TFFF C31H36N4O6 560.2635 NA PeJP NA NA +MJ080891 Pregn-9(11)-ene-3,6,20-triol, 6-O-(6-Deoxy-?-D-glucopyranoside), 3-O-sulfate C27H44O10S 560.265518 NA MeJP NA NA +MJ080892 Pregn-9(11)-ene-3,6,20-triol, 6-O-(6-Deoxy-?-D-glucopyranoside), 4'-O-sulfate C27H44O10S 560.265518 NA MeJP NA NA +MJ080893 Spirostane-1,2,3,4,5-pentol, 4-Sulfate C27H44O10S 560.265518 NA MeJP NA NA +PJ005437 DDRR C20H36N10O9 560.2667 NA PeJP NA NA +PJ005438 AERW C25H36N8O7 560.2707 NA PeJP NA NA +MJ080894 Antibiotic TAN 420; Antibiotic TAN 420C, Quinone C29H40N2O9 560.27338 NA MeJP NA NA +MJ080895 Geldanamycin C29H40N2O9 560.27338 NA MeJP NA NA +C11222 Geldanamycin C29H40N2O9 560.2734 NA KEGG NA NA +PJ005439 GPTMR C22H40N8O7S 560.2741 NA PeJP NA NA +PJ005440 GLWW C30H36N6O5 560.2747 NA PeJP NA NA +PJ005441 PKMW C27H40N6O5S 560.2781 NA PeJP NA NA +3277 NA KREE 560.279 celiac toxic Inhouse_peptide NA peptide +PJ005442 GVKEE C23H40N6O10 560.2806 NA PeJP NA NA +MJ080896 Difficol; 6-Hydroxy, 16-O-phosphate C31H45O7P 560.29029 NA MeJP NA NA +PJ005443 SPTTR C22H40N8O9 560.2918 NA PeJP NA NA +PJ005444 KEER C22H40N8O9 560.2919 NA PeJP NA NA +PJ005445 VKEW C27H40N6O7 560.2959 NA PeJP NA NA +MJ080897 3,14-Dihydroxy-19-oxobufa-20,22-dienolide, 3-O-(6-Deoxy-3-O-methyl-D-glucopyranoside) C31H44O9 560.298533 NA MeJP NA NA +MJ080898 Antibiotic TAN 1446B C31H44O9 560.298533 NA MeJP NA NA +MJ080899 Gomphoside; 3'-Ac C31H44O9 560.298533 NA MeJP NA NA +MJ080900 Gomphoside; 3'-Epimer, 3'-Ac C31H44O9 560.298533 NA MeJP NA NA +MJ080901 Plagiochiline I; 13-(2E,4E-Dodecadienoyloxy), 12-hydroxy, Ac C31H44O9 560.298533 NA MeJP NA NA +MJ080902 Sindurol C31H44O9 560.298533 NA MeJP NA NA +PJ005446 SPVKM C24H44N6O7S 560.2992 NA PeJP NA NA +PJ005447 GGALLM C24H44N6O7S 560.2993 NA PeJP NA NA +MJ080903 Ergost-22-ene-3,5,6,15,25,26-hexol, 26-Sulfate C28H48O9S 560.301903 NA MeJP NA NA +MJ080904 Ergost-22-ene-3,5,6,8,15,28-hexol, 28-Sulfate C28H48O9S 560.301903 NA MeJP NA NA +PJ005448 TERR C21H40N10O8 560.3031 NA PeJP NA NA +PJ005449 SLRW C26H40N8O6 560.3071 NA PeJP NA NA +MJ080905 Macbecin II C30H44N2O8 560.309766 NA MeJP NA NA +PJ005450 AALMR C23H44N8O6S 560.3105 NA PeJP NA NA +MJ080906 Tryptophyllin L 1.2 C31H40N6O4 560.311103 NA MeJP NA NA +MJ080907 Betamethasone; 17,21-Dipentanoyl C32H45FO7 560.314931 NA MeJP NA NA +PJ005451 ATLKE C24H44N6O9 560.317 NA PeJP NA NA +PJ005452 VMRR C22H44N10O5S 560.3217 NA PeJP NA NA +PJ005453 ATTLR C23H44N8O8 560.3282 NA PeJP NA NA +PJ005454 GPLKF C28H44N6O6 560.3323 NA PeJP NA NA +C08795 Cucurbitacin C C32H48O8 560.3349 NA KEGG NA NA +C08805 Cucurbitacin Q C32H48O8 560.3349 NA KEGG NA NA +C09135 Montanin C32H48O8 560.3349 NA KEGG NA NA +MJ080908 18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 2-Octanoyl, 18,19-di-Ac C32H48O8 560.334918 NA MeJP NA NA +MJ080909 2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione, 25-Ac C32H48O8 560.334918 NA MeJP NA NA +MJ080910 2,3-Dihydroxy-12-oleanene-23,28,30-trioic acid, 23,28-Di-Me ester C32H48O8 560.334918 NA MeJP NA NA +MJ080911 3,12-Dihydroxy-25,26,27-trinordammaran-24,20-olide, 3-Malonyl, 12-Ac C32H48O8 560.334918 NA MeJP NA NA +MJ080912 3,16,19,20,25-Pentahydroxycucurbita-5,23-diene-11,22-dione, 25-Ac C32H48O8 560.334918 NA MeJP NA NA +MJ080913 3,16,20,25-Tetrahydroxycucurbita-5,23-diene-2,11,22-trione, 23,24-Dihydro, 25-Ac C32H48O8 560.334918 NA MeJP NA NA +MJ080914 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-Decanoyl, 13-Ac C32H48O8 560.334918 NA MeJP NA NA +MJ080915 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Decanoyl, 12-Ac C32H48O8 560.334918 NA MeJP NA NA +MJ080916 Huratoxin; 13',14'-Dinor, 2',3',4',5'-tetrahydro C32H48O8 560.334918 NA MeJP NA NA +MJ080917 Milbemycin ?1; 6S-Hydroxy C32H48O8 560.334918 NA MeJP NA NA +MJ080918 Petuniasterone O C32H48O8 560.334918 NA MeJP NA NA +MJ080919 Spirosta-5,25(27)-diene-1,3-diol, 1-O-?-L-Arabinopyranoside C32H48O8 560.334918 NA MeJP NA NA +MJ080920 Vilasinin; 20,21,22,23-Tetrahydro, 23?-hydroxy, 1-(2-methylpropanoyl), 3-Ac C32H48O8 560.334918 NA MeJP NA NA +MetaCyc03856 23,24-dihydrocucurbitacin B [] C32H48O8 560.334919 NA metacyc NA NA +PJ005455 GLLKM C25H48N6O6S 560.3356 NA PeJP NA NA +MJ080921 Stigmastane-3,5,6,15,29-pentol, 29-Sulfate C29H52O8S 560.338289 NA MeJP NA NA +MJ080922 Aeruginosamide C30H48N4O4S 560.339626 NA MeJP NA NA +MJ080923 Antibiotic Sch 23831 C31H48N2O7 560.346151 NA MeJP NA NA +MJ080924 Deferoxamine C25H48N6O8 560.353362 NA MeJP NA NA +MetaCyc03857 deferoxamine [] C25H48N6O8 560.353363 NA metacyc NA NA +C06940 Deferoxamine C25H48N6O8 560.3534 NA KEGG NA NA +PJ005456 STLLK C25H48N6O8 560.3534 NA PeJP NA NA +MJ080925 2-Dehydroxy-O2-buxafuranamine C35H48N2O4 560.361408 NA MeJP NA NA +MJ080926 Cyclovirobuxeine F C35H48N2O4 560.361408 NA MeJP NA NA +MJ080927 O10-Buxafuranamine; Deoxy C35H48N2O4 560.361408 NA MeJP NA NA +PJ005457 GTKKK C24H48N8O7 560.3646 NA PeJP NA NA +MJ080928 3,3',4,4'-Tetradehydro-?,?-carotene-2,2'-dione C40H48O2 560.36543 NA MeJP NA NA +MJ080929 Isotedanin C40H48O2 560.36543 NA MeJP NA NA +MJ080930 Leprotene; 3,3'-Dihydroxy C40H48O2 560.36543 NA MeJP NA NA +MJ080931 Tedanin C40H48O2 560.36543 NA MeJP NA NA +MJ080932 12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 16-(3R-Hydroxybutanoyl), 12-Ac C33H52O7 560.371304 NA MeJP NA NA +MJ080933 17,20-Epoxy-16,22,25-trihydroxy-23-methylergostan-3-one, 22,25-Di-Ac C33H52O7 560.371304 NA MeJP NA NA +MJ080934 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 2,3:20,22-Di-O-isopropylidene C33H52O7 560.371304 NA MeJP NA NA +MJ080935 23,25-Cyclo-12,16,25-trihydroxy-20,24-dimethyl-24-scalaranone, 16-(2-Hydroxybutanoyl), 12-Ac C33H52O7 560.371304 NA MeJP NA NA +MJ080936 3,6-Dihydroxycholesta-9(11),20(22)-dien-23-one, 6-O-(6-Deoxy-?-D-glucopyranoside) C33H52O7 560.371304 NA MeJP NA NA +MJ080937 Cholest-5-ene-2,3,16,18-tetrol, 2,16,18-Tri-Ac C33H52O7 560.371304 NA MeJP NA NA +MJ080938 Cholest-5-ene-3,7,15,18-tetrol, 7,15,18-Tri-Ac C33H52O7 560.371304 NA MeJP NA NA +MJ080939 Spirost-5-en-3-ol, 3-O-?-L-Rhamnopyranoside C33H52O7 560.371304 NA MeJP NA NA +MJ080940 3,12-Dihydroxy-28-ursanoic acid, 28?12 Lactone, 3-benzoyl C37H52O4 560.38656 NA MeJP NA NA +MJ080941 3,16-Dihydroxy-27-friedelanoic acid, 27?16 Lactone, 3-benzoyl C37H52O4 560.38656 NA MeJP NA NA +MJ080942 3,29-Dihydroxy-8-multifloren-7-one; 3?-form, 3-Benzoyl C37H52O4 560.38656 NA MeJP NA NA +MJ080943 Strempeliopidine C38H48N4 560.387897 NA MeJP NA NA +MJ080944 Cyclovirobuxeine I; N3,N3,N20-Tri-Me, O-(4-hydroxycinnamoyl) C36H52N2O3 560.397793 NA MeJP NA NA +MJ080945 Tedaniaxanthin; Me ether C41H52O 560.401816 NA MeJP NA NA +MJ080946 2,3,19,24-Tetrahydroxy-12-ursen-28-oic acid, 24-Butyl ether C34H56O6 560.407689 NA MeJP NA NA +MJ080947 20,24-Epoxydammarane-3,12,25-triol, 3,12-Di-Ac C34H56O6 560.407689 NA MeJP NA NA +MJ080948 20,24-Epoxydammarane-3,12,25-triol, 3,25-Di-Ac C34H56O6 560.407689 NA MeJP NA NA +MJ080949 Ergosta-5,24(28)-diene-3,16-diol, 3-O-?-L-Fucopyranoside C34H56O6 560.407689 NA MeJP NA NA +MJ080950 Stigmast-5-en-3-ol, O-?-D-Xyluronofuranoside C34H56O6 560.407689 NA MeJP NA NA +MJ080951 Stigmast-5-en-3-ol, O-?-D-Riburonofuranoside C34H56O6 560.407689 NA MeJP NA NA +MJ080952 Stigmast-5-en-3-ol, O-?-D-Xyluronofuranoside C34H56O6 560.407689 NA MeJP NA NA +C05804 2-Hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinone C38H56O3 560.4229 NA KEGG NA NA +HMDB06819 2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone C38H56O3 560.42297 http://www.hmdb.ca/metabolites/HMDB06819 HMDB NA NA +HMDB06819 2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone C38H56O3 560.42297 HMDB06819 PFEM_hmdb_metabocards_official NA NA +HMDB06819 2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone C38H56O3 560.422974 NA HMDB2010 NA NA +MJ080953 Corepoxylone C35H60O5 560.444075 NA MeJP NA NA +MJ080954 Stigmast-5-en-3-ol, O-(2-Deoxy-?-D-ribo-hexopyranoside) C35H60O5 560.444075 NA MeJP NA NA +MJ080955 Stigmast-5-en-3-ol, O-?-L-Rhamnopyranoside C35H60O5 560.444075 NA MeJP NA NA +HMDB07019 DG(14:0/18:4(6Z,9Z,12Z,15Z)/0:0) C35H60O5 560.444092 NA HMDB2010 NA NA +HMDB07046 DG(14:1(9Z)/18:3(6Z,9Z,12Z)/0:0) C35H60O5 560.444092 NA HMDB2010 NA NA +HMDB07047 DG(14:1(9Z)/18:3(9Z,12Z,15Z)/0:0) C35H60O5 560.444092 NA HMDB2010 NA NA +HMDB07270 DG(18:3(6Z,9Z,12Z)/14:1(9Z)/0:0) C35H60O5 560.444092 NA HMDB2010 NA NA +HMDB07299 DG(18:3(9Z,12Z,15Z)/14:1(9Z)/0:0) C35H60O5 560.444092 NA HMDB2010 NA NA +HMDB07327 DG(18:4(6Z,9Z,12Z,15Z)/14:0/0:0) C35H60O5 560.444092 NA HMDB2010 NA NA +MJ080956 12-Methyl-29-(2,3,4,5-tetrahydroxypentyl)hopane C36H64O4 560.48046 NA MeJP NA NA +MJ080957 16,17,19-Kauranetriol, 19-Hexadecanoyl C36H64O4 560.48046 NA MeJP NA NA +MJ080958 2-Methyl-32,33,34,35-bacteriohopanetetrol C36H64O4 560.48046 NA MeJP NA NA +MJ080959 3-(3,4-Dihydroxyphenyl)-1-propanol; 3'-Me ether, 1-O-hexacosanoyl C36H64O4 560.48046 NA MeJP NA NA +MJ080960 3-Methyl-29-(2,3,4,5-tetrahydroxypentyl)hopane C36H64O4 560.48046 NA MeJP NA NA +MJ080961 7,7',8,8',11,11',12,12'-Octahydrolycopene; 1,2-Epoxide C40H64O 560.495716 NA MeJP NA NA +3982 fragment 222-230 of bovine lactoferrin ADRDQYELL 560.7614 MH2+ Inhouse_peptide NA peptide +7344 celiac sprue gluten epitope found in glutenin PIQQQPHQF 560.773 MH2+ Inhouse_peptide NA peptide +MJ080962 ADPribose C15H25N5O14P2 561.087323 NA MeJP NA NA +PJ005458 CCCCM C17H31N5O6S5 561.0878 NA PeJP NA NA +C11461 dTDP-4-amino-4,6-dideoxy-5-C-methyl-L-mannose C17H29N3O14P2 561.1125 NA KEGG NA NA +FL7ARXGL0003 Malvidin 3-glucoside-pyruvate C26H25O14 561.12443 388089-38-1 knapsack NA NA +PJ005459 ACCCY C21H31N5O7S3 561.1386 NA PeJP NA NA +PJ005460 PCCCH C20H31N7O6S3 561.1498 NA PeJP NA NA +PJ005461 SSCCY C21H31N5O9S2 561.1563 NA PeJP NA NA +MJ080963 Lamellarin H; 5?,7-Dihydroxy, 5,6-dihydro, 7,8,9,12,20-penta-Me ether C30H27NO10 561.163496 NA MeJP NA NA +MJ080964 Lamellarin H; 7-Methoxy, 5?-hydroxy, 5,6-dihydro, 8,9,13,21-tetra-Me ether C30H27NO10 561.163496 NA MeJP NA NA +MJ080965 2-Cyclopropyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]oxy]-4-quinolinecarboxylic acid; (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl ester C31H23N5O6 561.164833 NA MeJP NA NA +PJ005462 GCDMH C20H31N7O8S2 561.1676 NA PeJP NA NA +PJ005463 SSCEH C20H31N7O10S 561.1853 NA PeJP NA NA +PJ005464 GGGGPCD C20H31N7O10S 561.1854 NA PeJP NA NA +PJ005465 CNYY C25H31N5O8S 561.1893 NA PeJP NA NA +PJ005466 GGCYY C25H31N5O8S 561.1894 NA PeJP NA NA +MJ080966 5-Ethyl 1-[1-(phenylmethyl)-4-piperidinyl] 3,6-dihydro-4-methyl-2-thioxo-6-[2-(trifluoromethyl)phenyl]-1,5(2H)-pyrimidinedicarboxylate C28H30F3N3O4S 561.190911 NA MeJP NA NA +PJ005467 SPDDE C21H31N5O13 561.1919 NA PeJP NA NA +PJ005468 PPCDM C22H35N5O8S2 561.1927 NA PeJP NA NA +PJ005469 GNNEE C20H31N7O12 561.2031 NA PeJP NA NA +PJ005470 GSMMH C21H35N7O7S2 561.204 NA PeJP NA NA +PJ005471 GPEEM C22H35N5O10S 561.2105 NA PeJP NA NA +PJ005472 SNNNN C19H31N9O11 561.2143 NA PeJP NA NA +PJ005473 GGGGGGGGS C19H31N9O11 561.2144 NA PeJP NA NA +PJ005474 NNEW C24H31N7O9 561.2183 NA PeJP NA NA +PJ005475 GGNEW C24H31N7O9 561.2184 NA PeJP NA NA +MJ080967 ?-Lumicolchicine; 5,9-Diepimer, N-Me, O3-de-Me, O3-?-D-glucopyranoside C28H35NO11 561.22101 NA MeJP NA NA +PJ005476 SSTMH C21H35N7O9S 561.2217 NA PeJP NA NA +PJ005477 PEMW C26H35N5O7S 561.2257 NA PeJP NA NA +PJ005478 SPTEE C22H35N5O12 561.2282 NA PeJP NA NA +PJ005479 GVEEE C22H35N5O12 561.2283 NA PeJP NA NA +PJ005480 SPPMM C23H39N5O7S2 561.2291 NA PeJP NA NA +PJ005481 GPDHH C23H31N9O8 561.2296 NA PeJP NA NA +PJ005482 GNWW C28H31N7O6 561.2336 NA PeJP NA NA +PJ005483 QMHF C25H35N7O6S 561.237 NA PeJP NA NA +PJ005484 EEER C21H35N7O11 561.2395 NA PeJP NA NA +MJ080968 Astin J; 4'S,4''''S-Dihydroxy, Me ester C26H35N5O9 561.243477 NA MeJP NA NA +PJ005485 VEEW C26H35N5O9 561.2435 NA PeJP NA NA +MJ080969 Clathrynamide A; N-(4-Hydroxy-1-methylpentyl) C30H44BrNO4 561.245371 NA MeJP NA NA +PJ005486 SPVEM C23H39N5O9S 561.2469 NA PeJP NA NA +MJ080970 Anthraserpine; O17-De-Me C31H35N3O7 561.2475 NA MeJP NA NA +PJ005487 CHFR C24H35N9O5S 561.2482 NA PeJP NA NA +PJ005488 GSNER C20H35N9O10 561.2507 NA PeJP NA NA +PJ005489 NDKW C25H35N7O8 561.2547 NA PeJP NA NA +PJ005490 GGGGAPF C25H35N7O8 561.2548 NA PeJP NA NA +MJ080971 Cephalezomine A C29H39NO10 561.257396 NA MeJP NA NA +MJ080972 Harringtonine; Homologue (n = 3), 1''S-hydroxy C29H39NO10 561.257396 NA MeJP NA NA +MJ080973 Nargenicin B1 C29H39NO10 561.257396 NA MeJP NA NA +PJ005491 GVQQM C22H39N7O8S 561.2581 NA PeJP NA NA +PJ005492 PPYW C30H35N5O6 561.2588 NA PeJP NA NA +PJ005493 APPMF C27H39N5O6S 561.2621 NA PeJP NA NA +PJ005494 ATLEE C23H39N5O11 561.2646 NA PeJP NA NA +PJ005495 APLMM C24H43N5O6S2 561.2655 NA PeJP NA NA +PJ005496 SNRW C24H35N9O7 561.266 NA PeJP NA NA +PJ005497 QQMR C21H39N9O7S 561.2693 NA PeJP NA NA +PJ005498 GGAAMR C21H39N9O7S 561.2694 NA PeJP NA NA +PJ005499 KMHF C26H39N7O5S 561.2734 NA PeJP NA NA +PJ005500 GTQKE C22H39N7O10 561.2759 NA PeJP NA NA +PJ005501 SPPVY C27H39N5O8 561.2799 NA PeJP NA NA +PJ005502 CQRR C20H39N11O6S 561.2806 NA PeJP NA NA +PJ005503 PTTLM C24H43N5O8S 561.2832 NA PeJP NA NA +PJ005504 GLLEM C24H43N5O8S 561.2833 NA PeJP NA NA +MJ080974 2-Butyl-6-(hexahydro-2-methylpyrrolo[1,2-b]isoxazol-2-yl)-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4(3H)-quinazolinone C33H35N7O2 561.285223 NA MeJP NA NA +PJ005505 GSDKR C21H39N9O9 561.2871 NA PeJP NA NA +MJ080975 Dapitant C37H39NO4 561.287908 NA MeJP NA NA +PJ005506 TQKW C26H39N7O7 561.2911 NA PeJP NA NA +MJ080976 Altamycin A C30H43NO9 561.293781 NA MeJP NA NA +PJ005507 GVQKM C23H43N7O7S 561.2945 NA PeJP NA NA +C09162 Ergocornine C31H39N5O5 561.2951 NA KEGG NA NA +PJ005508 PLFW C31H39N5O5 561.2951 NA PeJP NA NA +MJ080977 2,6-Diethyl-1,4-dihydro-N-[3-(4-hydroxy-4-phenyl-1-piperidinyl)propyl]-4-(4-nitrophenyl)-3,5-pyridinedicarboxamide C31H39N5O5 561.295119 NA MeJP NA NA +MJ080978 ?-Ergoptine C31H39N5O5 561.295119 NA MeJP NA NA +MJ080979 Avellanin A C31H39N5O5 561.295119 NA MeJP NA NA +MJ080980 Ergocornine C31H39N5O5 561.295119 NA MeJP NA NA +MJ080981 Ergohexine C31H39N5O5 561.295119 NA MeJP NA NA +MJ080982 Ergoptine C31H39N5O5 561.295119 NA MeJP NA NA +MJ080983 Mauritine A; N-De-Me C31H39N5O5 561.295119 NA MeJP NA NA +MJ080984 Carolisterol A; 6-Epimer, 5-deoxy C27H47NO9S 561.297152 NA MeJP NA NA +PJ005509 GSSRR C20H39N11O8 561.2983 NA PeJP NA NA +PJ005510 LLMW C28H43N5O5S 561.2985 NA PeJP NA NA +PJ005511 STLLE C24H43N5O10 561.301 NA PeJP NA NA +PJ005512 GVLHH C25H39N9O6 561.3024 NA PeJP NA NA +MJ080985 Detoxin D1; O-De-Ac, O-propanoyl C29H43N3O8 561.305015 NA MeJP NA NA +PJ005513 QKMR C22H43N9O6S 561.3057 NA PeJP NA NA +EUR747 Lyso PC 18:4 [M+FA-H]- C26H46NO7P 561.306072 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR747 Lyso PC 18:4 [M+FA-H]- C26H46NO7P 561.306072 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR747 Lyso PC 18:4 [M+FA-H]- C26H46NO7P 561.306072 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR747 Lyso PC 18:4 [M+FA-H]- C26H46NO7P 561.306072 masses lipides attendues Inhousejuil11 NA NA +EUR883 Lyso PE 20:4 [M-H+acetate]- C25H44NO7P 561.306642 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR883 Lyso PE 20:4 [M-H+acetate]- C25H44NO7P 561.306642 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR883 Lyso PE 20:4 [M-H+acetate]- C25H44NO7P 561.306642 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR883 Lyso PE 20:4 [M-H+acetate]- C25H44NO7P 561.306642 masses lipides attendues Inhousejuil11 NA NA +2719 erythromycin inhibitor MVLTV 561.3074 NA Inhouse_peptide NA peptide +PJ005514 GTKKE C23H43N7O9 561.3122 NA PeJP NA NA +PJ005515 ASKKE C23H43N7O9 561.3123 NA PeJP NA NA +PJ005516 LHHR C24H39N11O5 561.3136 NA PeJP NA NA +3525 ACE inhibitor VHIPP 561.314 ACE inhibitor Inhouse_peptide NA peptide +3526 ACE inhibitor VHLPP 561.314 ACE inhibitor Inhouse_peptide NA peptide +PJ005517 GPLLY C28H43N5O7 561.3163 NA PeJP NA NA +PJ005518 CKRR C21H43N11O5S 561.317 NA PeJP NA NA +PJ005519 SVLLM C25H47N5O7S 561.3196 NA PeJP NA NA +PJ005520 GTTKR C22H43N9O8 561.3235 NA PeJP NA NA +PJ005521 TKKW C27H43N7O6 561.3275 NA PeJP NA NA +MJ080986 Piericidin; Piericidin A1, 4-O-(6-Deoxy-?-D-talopyranoside) C31H47NO8 561.330167 NA MeJP NA NA +MJ080987 Piericidin; Piericidin A1, 4-O-Rhamnoside C31H47NO8 561.330167 NA MeJP NA NA +PJ005522 GVKKM C24H47N7O6S 561.3309 NA PeJP NA NA +PJ005523 KKMR C23H47N9O5S 561.3421 NA PeJP NA NA +PJ005524 SSLKK C24H47N7O8 561.3486 NA PeJP NA NA +C11296 N-Acetyl-leu-leu-leu-tyr-amide C29H47N5O6 561.3526 NA KEGG NA NA +MJ080988 Stacopin P1; 4-Hydroxy C29H47N5O6 561.352634 NA MeJP NA NA +PJ005525 GLLLF C29H47N5O6 561.3527 NA PeJP NA NA +EUR781 Lyso PC 22:2 [M-H-CH3]- C30H58NO7P 561.379442 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR781 Lyso PC 22:2 [M-H-CH3]- C30H58NO7P 561.379442 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR781 Lyso PC 22:2 [M-H-CH3]- C30H58NO7P 561.379442 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR781 Lyso PC 22:2 [M-H-CH3]- C30H58NO7P 561.379442 masses lipides attendues Inhousejuil11 NA NA +MJ080989 Edpetilidinine; 3-O-?-D-Xylopyranoside C33H55NO6 561.402938 NA MeJP NA NA +MJ080990 Verazine; 22S,N-Dihydro, 3-O-?-D-glucopyranoside C33H55NO6 561.402938 NA MeJP NA NA +HMDB10699 CerP(d18:1/12:0) C30H60NO6P 561.415833 NA HMDB2010 NA NA +EUR538 12 :0 SM F5 F5 561.417125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR538 12 :0 SM F5 NA 561.417125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR538 12 :0 SM F5 F5 561.417125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR538 12 :0 SM F5 NA 561.417125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR538 12 :0 SM F5 F5 561.417125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR538 12 :0 SM F5 NA 561.417125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR538 12 :0 SM F5 F5 561.417125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR538 12 :0 SM F5 F5 561.417125 standards wishlist analysés sur QTOF HMDB NA NA +EUR538 12 :0 SM F5 F5 561.417125 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR538 12 :0 SM F5 NA 561.417125 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR538 12 :0 SM F5 F5 561.417125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR538 12 :0 SM F5 F5 561.417125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ080991 Pyrinodemin B C37H59N3O 561.465813 NA MeJP NA NA +MJ080992 35-Amino-30,31,32,33,34-bacteriohopanepentol, 30-Deoxy C35H63NO4 561.475709 NA MeJP NA NA +MJ080993 2-Amino-4-octadecene-1,3-diol, N-(9Z,12Z-Octadecadienoyl) C36H67NO3 561.512095 NA MeJP NA NA +7374 celiac sprue gluten epitope found in hordein PWPQQPFPQ 561.7645 MH2+ Inhouse_peptide NA peptide +7394 celiac sprue gluten epitope found in hordein* PQPQQPFPW 561.7645 MH2+ Inhouse_peptide NA peptide +2916 neuropeptide from eyestalk of Macrobrachium rosenb TNRNFLRFG 561.7879 MH2+ Inhouse_peptide NA peptide +MJ080994 Cyplatate C12H22N3O8PPt 562.079225 NA MeJP NA NA +C12481 dTDP-5-dimethyl-L-lyxose C17H28N2O15P2 562.0965 NA KEGG NA NA +C12482 2-Pyrroline-2-carboxyl-[pcp] C5H6NOSR 562.0965 NA KEGG NA NA +C12483 Pyrrole-2-carboxyl-[pcp] C5H4NOSR 562.0965 NA KEGG NA NA +C12484 5-Methyl-pyrrole-2-carboxyl-[pcp] C6H6NOSR 562.0965 NA KEGG NA NA +C12485 Transferred to D01088 C6H6NOSR 562.0965 NA KEGG NA NA +MJ080995 Cryptoclauxin C29H22O12 562.111126 NA MeJP NA NA +MJ080996 3,4',5,7,8-Pentahydroxyflavone; 8-O-[2-Methylbutanoyl-(?2)-?-D-glucuronopyranoside] C26H26O14 562.132255 NA MeJP NA NA +MJ080997 Trilobatin A C26H26O14 562.132255 NA MeJP NA NA +MJ080998 3,3',4',5,7-Pentahydroxyflavylium(1+); 3,7-Di-O-oxalyl-?-D-glucopyranoside C19H31O19(+) 562.138128 NA MeJP NA NA +C10228 Gambiriin C C30H26O11 562.1475 NA KEGG NA NA +C17775 Gambiriin B1 C30H26O11 562.1475 NA KEGG NA NA +C17776 Gambiriin B2 C30H26O11 562.1475 NA KEGG NA NA +C17777 Gambiriin B3 C30H26O11 562.1475 NA KEGG NA NA +MJ080999 10-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,9-triol C30H26O11 562.147511 NA MeJP NA NA +MJ081000 3',4',7-Trihydroxyflavan(4?8)-3,3',4',5,5',7-hexahydroxyflavan C30H26O11 562.147511 NA MeJP NA NA +MJ081001 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan C30H26O11 562.147511 NA MeJP NA NA +MJ081002 3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4',5',7-pentahydroxyflavan C30H26O11 562.147511 NA MeJP NA NA +MJ081003 3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan C30H26O11 562.147511 NA MeJP NA NA +MJ081004 3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4',7,8-pentahydroxyflavan C30H26O11 562.147511 NA MeJP NA NA +MJ081005 3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4,4',7-pentahydroxyflavan C30H26O11 562.147511 NA MeJP NA NA +MJ081006 3,3',4',7-Tetrahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan C30H26O11 562.147511 NA MeJP NA NA +MJ081007 3,4',5,7-Tetrahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan C30H26O11 562.147511 NA MeJP NA NA +MJ081008 3,4',7,8-Tetrahydroxyflavan(4?5)-3,4,4',7,8-pentahydroxyflavan C30H26O11 562.147511 NA MeJP NA NA +MJ081009 3,4',7,8-Tetrahydroxyflavan(4?6)-3,4,4',7,8-pentahydroxyflavan C30H26O11 562.147511 NA MeJP NA NA +MJ081010 3,4',7,8-Tetrahydroxyflavan(4?O?4)-3,4',7,8-tetrahydroxyflavan C30H26O11 562.147511 NA MeJP NA NA +MJ081011 4,4',7,8-Tetrahydroxyflavan(3?O?4)-3,4',7,8-tetrahydroxyflavan C30H26O11 562.147511 NA MeJP NA NA +MJ081012 4-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-3,4,7,8-tetrahydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3,7-diol, 5-Hydroxy C30H26O11 562.147511 NA MeJP NA NA +MJ081013 4-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,9-triol C30H26O11 562.147511 NA MeJP NA NA +MJ081014 8-(2,4-Dihydroxyphenyl)-2,10-bis(3,4-dihydroxyphenyl)-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,9-triol C30H26O11 562.147511 NA MeJP NA NA +MJ081015 Gambiriin B1 C30H26O11 562.147511 NA MeJP NA NA +MJ081016 Gambiriin B3 C30H26O11 562.147511 NA MeJP NA NA +MJ081017 Physalin B; 5,6-Dihydro, 5?-chloro, 6?-hydroxy C28H31ClO10 562.160574 NA MeJP NA NA +MJ081018 Albanol A C34H26O8 562.162767 NA MeJP NA NA +MJ081019 Kuwanol B C34H26O8 562.162767 NA MeJP NA NA +MJ081020 Torreonin C34H26O8 562.162767 NA MeJP NA NA +C08738 Albanol A C34H26O8 562.1628 NA KEGG NA NA +PJ005526 SCCNH C19H30N8O8S2 562.1628 NA PeJP NA NA +JH244 Oleuropein [M+Na]+ NA 562.1642 14.15 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH244 Oleuropein [M+Na]+ NA 562.1642 14.15 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH244 Oleuropein [M+Na]+ NA 562.1642 14.15 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH244 Oleuropein [M+Na]+ NA 562.1642 14.15 Inhousejuil11 NA NA +C15581 Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside C27H30O13 562.1686 NA KEGG NA NA +FL1A98GS0001 Dalmaisione D;2'-Hydroxyaurone 2'-O-glucosyl-(1'''->6'')-glucoside;2'-Hydroxyaurone 2'-gentiobioside C27H30O13 562.16864 418810-16-9 knapsack NA NA +FL3F1ACS0002 Sophoraflavone A C27H30O13 562.16864 105594-08-9 knapsack NA NA +FL3F1AGS0003 7,4'-Dihydroxyflavone 7-rutinoside C27H30O13 562.16864 27576-43-8 knapsack NA NA +FL3FA9GS0005 Chrysin 7-rutinoside C27H30O13 562.16864 35775-52-1 knapsack NA NA +FL3FAACS0058 6,8-Di-C-rhamnosylapigenin C27H30O13 562.16864 34524-53-3 knapsack NA NA +FL3FAADS0039 Rhamnellaflavoside A;6-C-beta-D-Oliopyranosylapigenin 4'-O-beta-D-glucopyranoside C27H30O13 562.16864 681287-08-1 knapsack NA NA +FL3FAADS0040 Rhamnellaflavoside B;6-C-beta-D-Boivinopyranosylapigenin 4'-O-beta-D-glucopyranoside C27H30O13 562.16864 681287-09-2 knapsack NA NA +FL3FAADS0041 Rhamnellaflavoside C;6-C-beta-D-Epioliosylapigenin 4'-O-beta-D-glucopyranoside C27H30O13 562.16864 681287-10-5 knapsack NA NA +FL3FCACS0014 Molludistin 2''-O-rhamnoside C27H30O13 562.16864 66274-23-5 knapsack NA NA +FL3FCBCS0003 5-Hydroxy-7,4'-dimethoxyflavone 6,8-di-C-arabinopyranoside C27H30O13 562.16864 77390-43-3 knapsack NA NA +FL3FECGS0040 6-Methoxyluteolin 7-[6''-(2-methylbutyryl) glucoside];2-(3,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[[6-O-(2-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C27H30O13 562.16864 144599-15-5 knapsack NA NA +FLIA1AGS0012 Formononetin 7-O-apiosyl-(1->2)-glucoside;Glycyroside C27H30O13 562.16864 125310-04-5 knapsack NA NA +FLIA1AGS0013 Formononetin 7-O-xylosyl-(1->6)-glucoside;Kushenol O C27H30O13 562.16864 102390-91-0 knapsack NA NA +MJ081021 1,3-Dihydroxy-2-methylanthraquinone; 1-Me ether, 3-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O13 562.168641 NA MeJP NA NA +MJ081022 1,5-Dihydroxy-2-methylanthraquinone; 1-O-Rutinoside C27H30O13 562.168641 NA MeJP NA NA +MJ081023 3,5,7-Trihydroxyflavone; 3,7-Di-O-?-L-rhamnopyranoside C27H30O13 562.168641 NA MeJP NA NA +MJ081024 4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(??)-?-L-rhamnopyranoside] C27H30O13 562.168641 NA MeJP NA NA +MJ081025 4',7-Dihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O13 562.168641 NA MeJP NA NA +MJ081026 4',7-Dihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C27H30O13 562.168641 NA MeJP NA NA +MJ081027 4',7-Dihydroxyisoflavone; 7-O-(Rhamnosylglucoside) C27H30O13 562.168641 NA MeJP NA NA +MJ081028 4'-Demethylpodophyllotoxin; 7-O-?-D-Glucopyranoside C27H30O13 562.168641 NA MeJP NA NA +MJ081029 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-L-Arabinopyranosyl-(1??)-?-L-rhamnopyranoside] C27H30O13 562.168641 NA MeJP NA NA +MJ081030 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C27H30O13 562.168641 NA MeJP NA NA +MJ081031 5,7-Dihydroxyflavone; 7-O-Rutinoside C27H30O13 562.168641 NA MeJP NA NA +MJ081032 6,8-Diarabinopyranosyl-4',5,7-trihydroxyflavone; 4',7-Di-Me ether C27H30O13 562.168641 NA MeJP NA NA +MJ081033 7-Hydroxy-4'-methoxyisoflavone; 7-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C27H30O13 562.168641 NA MeJP NA NA +MJ081034 7-Hydroxy-4'-methoxyisoflavone; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O13 562.168641 NA MeJP NA NA +MJ081035 Asperuloside; 2'-O-[3-(4-Hydroxyphenyl)propanoyl] C27H30O13 562.168641 NA MeJP NA NA +MJ081036 Mollupentin; 7-Me ether, 2''-O-?-L-rhamnopyranoside C27H30O13 562.168641 NA MeJP NA NA +MJ081037 Salicortin; 6'-O-(1-Hydroxy-6-oxo-2-cyclohexene-1-carbonyl) C27H30O13 562.168641 NA MeJP NA NA +MJ081038 Swertiamarin; 4'-(4-Hydroxycinnamoyl)(E-), 2'-Ac C27H30O13 562.168641 NA MeJP NA NA +MJ081039 Swertiamarin; 4'-(4-Hydroxycinnamoyl)(Z-), 2'-Ac C27H30O13 562.168641 NA MeJP NA NA +MJ081040 ?-Peltatin; 6-O-?-D-Glucopyranoside C27H30O13 562.168641 NA MeJP NA NA +PJ005527 PCNDD C20H30N6O11S 562.1693 NA PeJP NA NA +PJ005528 GGPCDD C20H30N6O11S 562.1694 NA PeJP NA NA +MJ081041 Ecamsule C28H34O8S2 562.169509 NA MeJP NA NA +PJ005529 CDYY C25H30N4O9S 562.1734 NA PeJP NA NA +MJ081042 Artonin Q; ?1'-Isomer, 3'-hydroperoxy C31H30O10 562.183897 NA MeJP NA NA +MJ081043 Schizantherin P; 7-Epimer, 7-benzoyl, 7'-Ac C31H30O10 562.183897 NA MeJP NA NA +PJ005530 GNDEE C20H30N6O13 562.1871 NA PeJP NA NA +PJ005531 GSPPCC C21H34N6O8S2 562.188 NA PeJP NA NA +MJ081044 Sucrose; 3'-O-(3,4,5-Trimethoxycinnamoyl)(E-) C24H34O15 562.18977 NA MeJP NA NA +MJ081045 Sucrose; 6-O-(3,4,5-Trimethoxy-E-cinnamoyl) C24H34O15 562.18977 NA MeJP NA NA +PJ005532 CMFY C26H34N4O6S2 562.192 NA PeJP NA NA +PJ005533 SNNND C19H30N8O12 562.1983 NA PeJP NA NA +PJ005534 GGGGSND C19H30N8O12 562.1984 NA PeJP NA NA +PJ005535 NDEW C24H30N6O10 562.2024 NA PeJP NA NA +FL5FABGI0029 Caohuoside D;8-(3''-Hydroxy-3''-methylbutyl)kaempferol 4'-methyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-3,5-dihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C28H34O12 562.20502 161504-79-6 knapsack NA NA +MJ081046 2,3-Epoxy-8,9-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(3S-Acetoxy-2R-hydroxy-2-methylbutanoyl), 9-tigloyl, Me ester C28H34O12 562.205026 NA MeJP NA NA +MJ081047 3',4',5,7-Tetrahydroxy-8-prenylisoflavone; 2'',3''-Dihydro, 3''-hydroxy, 3',4'-di-Me ether, 7-O-?-D-glucopyranoside C28H34O12 562.205026 NA MeJP NA NA +MJ081048 3,4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavone; 3'',4'-Di-Me ether, 7-O-?-D-glucopyranoside C28H34O12 562.205026 NA MeJP NA NA +MJ081049 Dehydrobruceolide; 15-(3-Hydroxy-2-isopropylidenebutanoyl) C28H34O12 562.205026 NA MeJP NA NA +PJ005536 SPNDM C21H34N6O10S 562.2057 NA PeJP NA NA +MJ081050 Saframycin A C29H30N4O8 562.206363 NA MeJP NA NA +PJ005537 SMYY C26H34N4O8S 562.2097 NA PeJP NA NA +MJ081051 4,10-Dichloro-7(14)-bisabolene-1,2,3,8,11-pentol, 1,8-Diangeloyl, 2-Ac C27H40Cl2O8 562.210023 NA MeJP NA NA +MJ081052 Cocsupendine C34H30N2O6 562.210386 NA MeJP NA NA +MJ081053 Kohatine; 1',2'-Didehydro C34H30N2O6 562.210386 NA MeJP NA NA +MJ081054 Pangkoramine; 1',2',3',4'-Tetradehydro C34H30N2O6 562.210386 NA MeJP NA NA +MJ081055 Thiamine disulfide C24H34N8O4S2 562.214442 NA MeJP NA NA +PJ005538 GNNQM C20H34N8O9S 562.217 NA PeJP NA NA +PJ005539 GDWW C28H30N6O7 562.2176 NA PeJP NA NA +MJ081056 Antibiotic ES 242-4; 4'-Deoxy C32H34O9 562.220282 NA MeJP NA NA +MJ081057 Antibiotic ES 242-7 C32H34O9 562.220282 NA MeJP NA NA +MJ081058 Antibiotic ES 242-8 C32H34O9 562.220282 NA MeJP NA NA +MJ081059 Toddalosin C32H34O9 562.220282 NA MeJP NA NA +PJ005540 GPTCW C25H34N6O7S 562.221 NA PeJP NA NA +PJ005541 GTQEE C21H34N6O12 562.2235 NA PeJP NA NA +PJ005542 GPQMM C22H38N6O7S2 562.2244 NA PeJP NA NA +PJ005543 CFFF C30H34N4O5S 562.225 NA PeJP NA NA +MJ081060 Deacylsuspensolide; 1-O-(3-Methylbutanoyl), 2',10-di-Ac C25H38O14 562.226155 NA MeJP NA NA +MJ081061 Deacylsuspensolide; 1-O-(3-Methylbutanoyl), 2',7-di-Ac C25H38O14 562.226155 NA MeJP NA NA +MJ081062 Suspensolide A C25H38O14 562.226155 NA MeJP NA NA +MJ081063 24-Norcholesta-5,22-diene-2,3,21-triol, 3,21-Disulfate C26H42O9S2 562.227024 NA MeJP NA NA +PJ005544 GCNNR C19H34N10O8S 562.2282 NA PeJP NA NA +MJ081064 Minovincinine, 11-Methoxy, O-(3-methoxy-4,5-methylenedioxybenzoyl) C31H34N2O8 562.231516 NA MeJP NA NA +MJ081065 Picraline; (Z)-Isomer, O-de-Ac, O-(3,4,5-trimethoxybenzoyl) C31H34N2O8 562.231516 NA MeJP NA NA +MJ081066 Picraline; O-De-Ac, O-(3,4,5-trimethoxybenzoyl) C31H34N2O8 562.231516 NA MeJP NA NA +MJ081067 Polycephalin C; 1-N-De-Me C31H34N2O8 562.231516 NA MeJP NA NA +PJ005545 GSDER C20H34N8O11 562.2347 NA PeJP NA NA +C15659 TMC 126 C28H38N2O8S 562.2349 NA KEGG NA NA +MJ081068 Bulbocodine C36H34O6 562.235538 NA MeJP NA NA +MJ081069 Magnolignan H C36H34O6 562.235538 NA MeJP NA NA +MJ081070 Shanciguol; 5'-(4-Hydroxybenzyl), 3-Me ether C36H34O6 562.235538 NA MeJP NA NA +PJ005546 GPCMR C21H38N8O6S2 562.2356 NA PeJP NA NA +3118 adrenocoritcotropin hormone fr,:4-10 YMEHFRWG 562.2362 MH2+ Inhouse_peptide NA peptide +PJ005547 TQEW C25H34N6O9 562.2387 NA PeJP NA NA +PJ005548 GATEW C25H34N6O9 562.2388 NA PeJP NA NA +MJ081071 Otilonium(1+); Bromide C29H43BrN2O4 562.24062 NA MeJP NA NA +C08865 Eriocarpin C29H38O11 562.2414 NA KEGG NA NA +MJ081072 Baccharinol C29H38O11 562.241412 NA MeJP NA NA +MJ081073 Fumigatonin C29H38O11 562.241412 NA MeJP NA NA +PJ005549 GVQEM C22H38N6O9S 562.2421 NA PeJP NA NA +PJ005550 AFYY C30H34N4O7 562.2428 NA PeJP NA NA +MJ081074 Angchibangkine C35H34N2O5 562.246772 NA MeJP NA NA +MJ081075 Apateline; Me ether C35H34N2O5 562.246772 NA MeJP NA NA +MJ081076 Apateline; N-Me C35H34N2O5 562.246772 NA MeJP NA NA +MJ081077 Cocsoline, Me ether C35H34N2O5 562.246772 NA MeJP NA NA +MJ081078 Cocsoline, N-Me C35H34N2O5 562.246772 NA MeJP NA NA +MJ081079 Cocsoline, Me ether C35H34N2O5 562.246772 NA MeJP NA NA +MJ081080 Tiliacorine, N-De-Me C35H34N2O5 562.246772 NA MeJP NA NA +MJ081081 Tiliacorinine; N2'-De-Me C35H34N2O5 562.246772 NA MeJP NA NA +MJ081082 Tiliacorinine; N2-De-Me C35H34N2O5 562.246772 NA MeJP NA NA +MJ081083 Tiliarine C35H34N2O5 562.246772 NA MeJP NA NA +MJ081084 Tricordatine; O12-Me C35H34N2O5 562.246772 NA MeJP NA NA +MJ081085 Trilobine C35H34N2O5 562.246772 NA MeJP NA NA +C09669 Trilobine C35H34N2O5 562.2468 NA KEGG NA NA +PJ005551 SDRW C24H34N8O8 562.25 NA PeJP NA NA +PJ005552 QEMR C21H38N8O8S 562.2534 NA PeJP NA NA +PJ005553 ATWW C29H34N6O6 562.254 NA PeJP NA NA +MJ081086 1,2,9-Trihydroxydihydro-?-agarofuran, 9-(2,3-Epoxycinnamoyl), 2-benzoyl, 1-Ac C33H38O8 562.256668 NA MeJP NA NA +MJ081087 Gaudichaudione A; ?13-Isomer, 11-hydroxy C33H38O8 562.256668 NA MeJP NA NA +MJ081088 Gaudichaudione A; ?18-Isomer, 16-hydroxy C33H38O8 562.256668 NA MeJP NA NA +MJ081089 Gaudichaudione D C33H38O8 562.256668 NA MeJP NA NA +MJ081090 Gaudichaudione G C33H38O8 562.256668 NA MeJP NA NA +MJ081091 Shizukaol E C33H38O8 562.256668 NA MeJP NA NA +MJ081092 ?-Guttiferin C33H38O8 562.256668 NA MeJP NA NA +PJ005554 VQMW C26H38N6O6S 562.2574 NA PeJP NA NA +HMDB00241 Protoporphyrin IX C34H34N4O4 562.257996 NA HMDB2010 NA NA +HMDB00241 Protoporphyrin IX C34H34N4O4 562.258 http://www.hmdb.ca/metabolites/HMDB00241 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00241 Protoporphyrin IX C34H34N4O4 562.258 http://www.hmdb.ca/metabolites/HMDB00241 HMDB NA NA +C02191 Protoporphyrin C34H34N4O4 562.258 NA KEGG NA NA +HMDB00241 Protoporphyrin IX C34H34N4O4 562.258 http://www.hmdb.ca/metabolites/HMDB00241 PFEM_hmdb_metabocards_blood NA blood +HMDB00241 Protoporphyrin IX C34H34N4O4 562.258 HMDB00241 PFEM_hmdb_metabocards_official NA NA +MJ081093 Protoporphyrin C34H34N4O4 562.258005 NA MeJP NA NA +MetaCyc03858 protoporphyrin IX [protoporphyrin;] C34H34N4O4 562.258006 553-12-8 metacyc NA NA +PJ005555 GTKEE C22H38N6O11 562.2599 NA PeJP NA NA +PJ005556 PCCLK C23H42N6O6S2 562.2607 NA PeJP NA NA +PJ005557 GPKMM C23H42N6O6S2 562.2608 NA PeJP NA NA +PJ005558 AAQHH C23H34N10O7 562.2612 NA PeJP NA NA +MJ081094 [[4'-[(2-Ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-5-propyl[1,1'-biphenyl]-2-yl]sulfonyl]carbamic acid; Butyl ester C31H38N4O4S 562.261376 NA MeJP NA NA +MJ081095 6-Hydroxy-2,6-dimethyl-2,7-octadienoic acid, [?-D-Glucopyranosyl-(1?3)-4-O-(2-methylbutanoyl)-?-L-arabinopyranoside] C26H42O13 562.262541 NA MeJP NA NA +MJ081096 Cinnzeylanol; 19-Hydroxy, 19-?-D-glucopyranoside C26H42O13 562.262541 NA MeJP NA NA +MJ081097 Cholest-5-ene-3,21-diol, Disulfate C27H46O8S2 562.263409 NA MeJP NA NA +PJ005559 CERR C20H38N10O7S 562.2646 NA PeJP NA NA +PJ005560 AMRW C25H38N8O5S 562.2686 NA PeJP NA NA +PJ005561 GTTER C21H38N8O10 562.2711 NA PeJP NA NA +PJ005562 NHHR C22H34N12O6 562.2724 NA PeJP NA NA +PJ005563 GGHHR C22H34N12O6 562.2725 NA PeJP NA NA +PJ005564 TKEW C26H38N6O8 562.2751 NA PeJP NA NA +MJ081098 1,3,4,5,8,10-Hexahydroxy-7(14),11-bisaboladien-2-one; 1,4,8-Triangeloyl C30H42O10 562.277797 NA MeJP NA NA +MJ081099 11,13-Epoxy-4,8,9-trihydroxy-3-oxo-10(14)-oplopen-12-oic acid, 8-(3-Methyl-2-pentenoyl), 9-(3-methylpentanoyl), 4-Ac, Me ester C30H42O10 562.277797 NA MeJP NA NA +MJ081100 18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 7-Butanoyl, 2,18,19-tri-Ac C30H42O10 562.277797 NA MeJP NA NA +MJ081101 18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 7-Butanoyl, 6,18,19-tri-Ac C30H42O10 562.277797 NA MeJP NA NA +MJ081102 2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide, 3-O-[6-Deoxy-3-O-methyl-?-D-galactopyranoside] C30H42O10 562.277797 NA MeJP NA NA +MJ081103 2,3-Epoxy-1,5,8,10,11-pentahydroxy-7(14)-bisabolen-4-one; 1,5,8-Tri-O-angeloyl C30H42O10 562.277797 NA MeJP NA NA +MJ081104 3,14,16-Trihydroxybufa-4,20,22-trienolide, 3-O-?-D-Glucopyranoside C30H42O10 562.277797 NA MeJP NA NA +MJ081105 3,8,12,14-Tetrahydroxybufa-4,20,22-trienolide, 3-O-?-D-Rhamnopyranoside C30H42O10 562.277797 NA MeJP NA NA +MJ081106 3,8,14-Trihydroxybufa-4,20,22-trienolide, 3-O-?-D-Glucopyranoside C30H42O10 562.277797 NA MeJP NA NA +MJ081107 3,9,12,14-Tetrahydroxybufa-4,20,22-trienolide, 3-O-?-L-Rhamnopyranoside C30H42O10 562.277797 NA MeJP NA NA +MJ081108 4(20),11-Taxadiene-2,5,9,10,13-pentol, Penta-Ac C30H42O10 562.277797 NA MeJP NA NA +MJ081109 4(20),11-Taxadiene-2,5,9,10,14-pentol, Penta-Ac C30H42O10 562.277797 NA MeJP NA NA +MJ081110 4(20),11-Taxadiene-5,7,9,10,13-pentol, Penta-Ac C30H42O10 562.277797 NA MeJP NA NA +MJ081111 7,8-Epoxy-3,11,14-trihydroxy-12-oxocard-20(22)-enolide, 3-Diginoside C30H42O10 562.277797 NA MeJP NA NA +MJ081112 7,8-Epoxy-3,11,14-trihydroxy-12-oxocard-20(22)-enolide, 3-O-D-Sarmentoside C30H42O10 562.277797 NA MeJP NA NA +MJ081113 7,8-Epoxy-3,11,14-trihydroxy-12-oxocard-20(22)-enolide, 3-O-?-L-Oleandroside C30H42O10 562.277797 NA MeJP NA NA +MJ081114 7,8-Epoxy-3,12,14-trihydroxy-11-oxocard-20(22)-enolide, 3-O-?-L-Oleandroside C30H42O10 562.277797 NA MeJP NA NA +MJ081115 Affinoside C; 12-Oxo, 11?-alcohol C30H42O10 562.277797 NA MeJP NA NA +MJ081116 Affinoside C; 12?-Hydroxy C30H42O10 562.277797 NA MeJP NA NA +MJ081117 Affinoside C; 4'?-Hydroxy C30H42O10 562.277797 NA MeJP NA NA +MJ081118 Anodendroside F C30H42O10 562.277797 NA MeJP NA NA +MJ081119 Hexanorcucurbitacin F; 2,3-Diketone, 2-O-?-D-glucopyranoside (of enol) C30H42O10 562.277797 NA MeJP NA NA +MJ081120 Ingol; 2-Epimer, 7-(2-methylpropanoyl), 3,8,12-tri-Ac C30H42O10 562.277797 NA MeJP NA NA +MJ081121 Kopeolin; 3'-O-?-D-Glucopyranoside C30H42O10 562.277797 NA MeJP NA NA +7341 celiac sprue gluten epitope from gamma-gliadin QRPQQPFPQ 562.2785 MH2+ Inhouse_peptide NA peptide +7389 celiac sprue gluten epitope found in hordein QQPQQPFPR 562.2785 MH2+ Inhouse_peptide NA peptide +7407 celiac sprue gluten epitope found in secalin QQPFPQRPQ 562.2785 MH2+ Inhouse_peptide NA peptide +PJ005565 GVKEM C23H42N6O8S 562.2785 NA PeJP NA NA +MJ081122 D-Urobilinogen C31H38N4O6 562.279135 NA MeJP NA NA +MJ081123 Cholest-22-ene-3,4,6,8,15,16,24-heptol, 3-Sulfate C27H46O10S 562.281168 NA MeJP NA NA +MJ081124 Cholest-24-ene-3,4,6,8,14,15,26-heptol, 15-Sulfate C27H46O10S 562.281168 NA MeJP NA NA +PJ005566 TTRW C25H38N8O7 562.2864 NA PeJP NA NA +MJ081125 Antibiotic TAN 420; Antibiotic TAN 420C C29H42N2O9 562.28903 NA MeJP NA NA +MJ081126 Geldanamycin; 4,5-Dihydro C29H42N2O9 562.28903 NA MeJP NA NA +PJ005567 KEMR C22H42N8O7S 562.2897 NA PeJP NA NA +PJ005568 GGACKK C22H42N8O7S 562.2898 NA PeJP NA NA +PJ005569 LHFF C30H38N6O5 562.2904 NA PeJP NA NA +MJ081127 Scortechinone A C34H42O7 562.293053 NA MeJP NA NA +PJ005570 VKMW C27H42N6O5S 562.2938 NA PeJP NA NA +PJ005571 SSLKE C23H42N6O10 562.2963 NA PeJP NA NA +PJ005572 GPPHR C24H38N10O6 562.2976 NA PeJP NA NA +MJ081128 1,3(15),6-Farnesatriene-10,11-diol; 10-O-[?-D-Glucopyranosyl(1?4)-?-D-glucopyranoside] C27H46O12 562.298926 NA MeJP NA NA +MJ081129 4(15)-Eudesmene-2,11-diol; 2?-form, 2,11-Di-O-?-D-glucopyranoside C27H46O12 562.298926 NA MeJP NA NA +PJ005573 TMRR C21H42N10O6S 562.301 NA PeJP NA NA +PJ005574 SSTLR C22H42N8O9 562.3075 NA PeJP NA NA +2574 tuftsin YKPR 562.31 antibacterial Inhouse_peptide NA peptide +8177 tuftsin (human Fc region of IgG) YKPR 562.31 antibacterial Inhouse_peptide NA peptide +7661 ACE inhibitor from as1-CN (136-139) LFRQ 562.311 antioxidative Inhouse_peptide NA peptide +PJ005575 GPVKY C27H42N6O7 562.3115 NA PeJP NA NA +MJ081130 18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 2-Me ether, 7,18-dibutanoyl, 19-Ac C31H46O9 562.314183 NA MeJP NA NA +MJ081131 4(20),11-Taxadiene-2,5,10,14-tetrol, 14-(3-Hydroxy-2-methylbutanoyl), 2,5,10-tri-Ac C31H46O9 562.314183 NA MeJP NA NA +MJ081132 4(20),11-Taxadiene-2,5,7,9,10-pentol, 2-(2-Methylbutanoyl), 7,9,10-tri-Ac C31H46O9 562.314183 NA MeJP NA NA +MJ081133 4(20),11-Taxadiene-2,5,9,10,14-pentol, 14-(2-Methylbutanoyl), 2,9,10-tri-Ac C31H46O9 562.314183 NA MeJP NA NA +MJ081134 5,9-Epoxy-2,12,14-trihydroxy-6,8-briaradien-18-oic acid; 2,12-Dibutanoyl, 14-Ac, Me ester C31H46O9 562.314183 NA MeJP NA NA +MJ081135 Cyasterone; 22-Ac C31H46O9 562.314183 NA MeJP NA NA +MJ081136 Cyasterone; 3-Ac C31H46O9 562.314183 NA MeJP NA NA +PJ005576 ATLKM C24H46N6O7S 562.3149 NA PeJP NA NA +C12896 Carpipramine maleate C28H38N4O 562.3155 NA KEGG NA NA +C12898 Transferred to D01451 C28H38N4O 562.3155 NA KEGG NA NA +C12899 Transferred to D01452 C28H38N4O 562.3155 NA KEGG NA NA +C12900 Transferred to D01453 C28H38N4O 562.3155 NA KEGG NA NA +C12901 Transferred to D01454 C28H38N4O 562.3155 NA KEGG NA NA +C12902 Transferred to D01455 C28H38N4O 562.3155 NA KEGG NA NA +C12903 Transferred to D01456 C28H38N4O 562.3155 NA KEGG NA NA +C12904 Transferred to D01457 C28H38N4O 562.3155 NA KEGG NA NA +MJ081137 Ergostane-3,5,6,15,16,26-hexol, 26-Sulfate C28H50O9S 562.317553 NA MeJP NA NA +MJ081138 Ergostane-3,5,6,15,24,28-hexol, 28-Sulfate C28H50O9S 562.317553 NA MeJP NA NA +PJ005577 PKRY C26H42N8O6 562.3228 NA PeJP NA NA +PJ005578 GCKKK C23H46N8O6S 562.3261 NA PeJP NA NA +MJ081139 Calozeylanic acid C35H46O6 562.329439 NA MeJP NA NA +MJ081140 Laxifloranone C35H46O6 562.329439 NA MeJP NA NA +MJ081141 Mesuanic acid C35H46O6 562.329439 NA MeJP NA NA +MJ081142 Schweinfurthin A; 5-Me ether C35H46O6 562.329439 NA MeJP NA NA +PJ005579 TTTLK C24H46N6O9 562.3326 NA PeJP NA NA +MJ081143 3-O-(?-L-Mycarosyl)-8-hydroxyerythronolide B C28H50O11 562.335312 NA MeJP NA NA +PJ005580 GVLKF C28H46N6O6 562.3479 NA PeJP NA NA +MJ081144 6,13-Epoxy-4,9,11-trihydroxy-8(19)-eunicellen-16,12-olide, 11-Octanoyl, 9-butanoyl C32H50O8 562.350568 NA MeJP NA NA +MJ081145 6,7-Epoxy-4,5,9,13,20-pentahydroxy-1-tiglien-3-one, 13-Dodecanoyl C32H50O8 562.350568 NA MeJP NA NA +MJ081146 Amphidinolide B C32H50O8 562.350568 NA MeJP NA NA +MJ081147 Amphidinolide G C32H50O8 562.350568 NA MeJP NA NA +MJ081148 Amphidinolide L C32H50O8 562.350568 NA MeJP NA NA +MJ081149 Hippuristanol; 22-Epimer,2?-acetoxy, 3-Ac C32H50O8 562.350568 NA MeJP NA NA +C09065 Baliospermin C32H50O8 562.3506 NA KEGG NA NA +PJ005581 LKFR C27H46N8O5 562.3591 NA PeJP NA NA +MJ081150 24-Nor-4(23),22(29)-hopadiene-3,6,7-triol, 7-(4-Hydroxybenzoyl) C36H50O5 562.365824 NA MeJP NA NA +MJ081151 Buxanaldinine C35H50N2O4 562.377058 NA MeJP NA NA +MJ081152 Buxanoldine; O16-Ac C35H50N2O4 562.377058 NA MeJP NA NA +MJ081153 Buxanoldine; O31-Ac C35H50N2O4 562.377058 NA MeJP NA NA +MJ081154 Buxidienine I; N20,N20-Di-Me, N3-benzoyl, O16-Ac C35H50N2O4 562.377058 NA MeJP NA NA +MJ081155 Buxidienine I; N20,N20-Di-Me, N3-benzoyl, O30-Ac C35H50N2O4 562.377058 NA MeJP NA NA +MJ081156 Cyclomicrophylline I; N20,N20-Di-Me, N3-benzoyl, O16-Ac C35H50N2O4 562.377058 NA MeJP NA NA +MJ081157 Cycloxobuxoline I; N3-Benzoyl, N20,N20-di-Me, O-Ac C35H50N2O4 562.377058 NA MeJP NA NA +MJ081158 Lycodiflexine C35H50N2O4 562.377058 NA MeJP NA NA +MJ081159 3,4-Didehydro-?,?-carotene-2,2'-dione C40H50O2 562.38108 NA MeJP NA NA +MJ081160 Eschscholtzxanthin; Diketone C40H50O2 562.38108 NA MeJP NA NA +MJ081161 Eutreptiellanone C40H50O2 562.38108 NA MeJP NA NA +MJ081162 Isoclathriaxanthin C40H50O2 562.38108 NA MeJP NA NA +C08610 Rhodoxanthin C40H50O2 562.3811 NA KEGG NA NA +MJ081163 20,24-Epoxydammarane-3,12,25-triol, 3-Malonyl C33H54O7 562.386954 NA MeJP NA NA +MJ081164 5-Tricosene-1,2,3,4-tetrol; 1-O-(4-Hydroxy-3-methoxycinnamoyl) C33H54O7 562.386954 NA MeJP NA NA +MJ081165 Cholesta-7,9(11)-diene-3,15,24-triol, 3-(2-O-Methyl-?-D-xylopyranoside) C33H54O7 562.386954 NA MeJP NA NA +HMDB10330 Cholesterol glucuronide C33H54O7 562.386963 NA HMDB2010 NA NA +C05200 3-Hexaprenyl-4,5-dihydroxybenzoate C37H54O4 562.4022 NA KEGG NA NA +MJ081166 3-Hexaprenyl-4,5-dihydroxybenzoate C37H54O4 562.40221 NA MeJP NA NA +MJ081167 3,22-Dihydroxy-4-methylstigmast-7-en-6-one, 3-Benzoyl C37H54O4 562.40221 NA MeJP NA NA +MJ081168 Cholest-5-en-3-ol, 3-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) C37H54O4 562.40221 NA MeJP NA NA +MJ081169 Ergost-5-en-3-ol, 3,4-Dihydroxycinnamoyl C37H54O4 562.40221 NA MeJP NA NA +MJ081170 Prunusol A C37H54O4 562.40221 NA MeJP NA NA +MetaCyc03859 3-hexaprenyl-4,5-dihydroxybenzoate [3-(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid;] C37H54O4 562.40221 NA metacyc NA NA +HMDB01063 3-Hexaprenyl-4,5-Dihydroxybenzoic acid C37H54O4 562.40222 http://www.hmdb.ca/metabolites/HMDB01063 HMDB NA NA +HMDB01063 3-Hexaprenyl-4,5-Dihydroxybenzoic acid C37H54O4 562.40222 HMDB01063 PFEM_hmdb_metabocards_official NA NA +HMDB01063 3-Hexaprenyl-4,5-Dihydroxybenzoic acid C37H54O4 562.402222 NA HMDB2010 NA NA +MJ081171 Isoagelaxanthin A; Me ether C41H54O 562.417466 NA MeJP NA NA +MJ081172 Ergost-5-en-3-ol, O-?-D-Glucopyranoside C34H58O6 562.423339 NA MeJP NA NA +MJ081173 Ergost-5-ene-3,25-diol, 3-O-?-L-Fucopyranoside C34H58O6 562.423339 NA MeJP NA NA +HMDB12147 2-Hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinol C38H58O3 562.438599 NA HMDB2010 NA NA +MJ081174 1-Tricosene-4,6,8,10,12,14,16,18-octol, Octa-Me ether C31H62O8 562.444468 NA MeJP NA NA +HMDB07017 DG(14:0/18:3(6Z,9Z,12Z)/0:0) C35H62O5 562.459717 NA HMDB2010 NA NA +HMDB07018 DG(14:0/18:3(9Z,12Z,15Z)/0:0) C35H62O5 562.459717 NA HMDB2010 NA NA +HMDB07045 DG(14:1(9Z)/18:2(9Z,12Z)/0:0) C35H62O5 562.459717 NA HMDB2010 NA NA +HMDB07241 DG(18:2(9Z,12Z)/14:1(9Z)/0:0) C35H62O5 562.459717 NA HMDB2010 NA NA +HMDB07269 DG(18:3(6Z,9Z,12Z)/14:0/0:0) C35H62O5 562.459717 NA HMDB2010 NA NA +HMDB07298 DG(18:3(9Z,12Z,15Z)/14:0/0:0) C35H62O5 562.459717 NA HMDB2010 NA NA +MJ081175 29-(1,2,3,4,5-Pentahydroxypentyl)hopane C35H62O5 562.459725 NA MeJP NA NA +MJ081176 29-(2,3,4,5-Tetrahydroxypentyl)-29-hopanol C35H62O5 562.459725 NA MeJP NA NA +MJ081177 Robustocin C35H62O5 562.459725 NA MeJP NA NA +MJ081178 1-Hydroxy-1,2-dihydrophytoene C40H66O 562.511366 NA MeJP NA NA +MJ081179 7,7',8,8',11,11',12,12',15,15'-Decahydrolycopene; 15-Hydroxy C40H66O 562.511366 NA MeJP NA NA +MJ081180 Isohydroxylycopersene C40H66O 562.511366 NA MeJP NA NA +MJ081181 Polyprenol; Betulaprenol 8 C40H66O 562.511366 NA MeJP NA NA +MJ081182 Prephytoene alcohol C40H66O 562.511366 NA MeJP NA NA +MetaCyc03860 farnesylfarnesylgeraniol [] C40H66O1 562.511367 NA metacyc NA NA +MJ081183 Sinulamide C34H67N4O2(+) 562.518577 NA MeJP NA NA +MJ081184 15,19,23-Trimethylheptatriacontane C40H82 562.641652 NA MeJP NA NA +3571 NA SGIQSEPKAIP 562.794 MH2+ Inhouse_peptide NA peptide +MJ081185 Bis(glucoheptonato)oxotechnetate(V)(1-) C14H24O17Tc(-) 563.01639 NA MeJP NA NA +MetaCyc03861 UDP-L-Ara4-Formyl-N [] C15H23N3O16P2 563.055355 NA metacyc NA NA +C16154 UDP-L-Ara4FN C15H23N3O16P2 563.0554 NA KEGG NA NA +C13031 Estramustine phosphate sodium C23H30Cl2NO6P 563.0983 NA KEGG NA NA +C13032 Transferred to D01575 C23H30Cl2NO6P 563.0983 NA KEGG NA NA +C13033 Transferred to D01576 C23H30Cl2NO6P 563.0983 NA KEGG NA NA +C13034 Transferred to D01577 C23H30Cl2NO6P 563.0983 NA KEGG NA NA +C13035 Transferred to D01578 C23H30Cl2NO6P 563.0983 NA KEGG NA NA +C13036 Transferred to D01579 C23H30Cl2NO6P 563.0983 NA KEGG NA NA +MJ081186 Mercaptomerin C16H27HgNO6S 563.126533 NA MeJP NA NA +MJ081187 Pradimicin P; 6-Deoxy, 7,11-di-Me ether C29H25NO11 563.14276 NA MeJP NA NA +PJ005582 SCCDH C19H29N7O9S2 563.1468 NA PeJP NA NA +PJ005583 PCDDD C20H29N5O12S 563.1534 NA PeJP NA NA +MJ081188 Cephamycin B; Deoxy C25H29N3O10S 563.157364 NA MeJP NA NA +PJ005584 ACCMH C20H33N7O6S3 563.1655 NA PeJP NA NA +MJ081189 Fentonium(1+); Bromide C31H34BrNO4 563.167121 NA MeJP NA NA +PJ005585 GDDEE C20H29N5O14 563.1711 NA PeJP NA NA +PJ005586 SNNDD C19H29N7O13 563.1824 NA PeJP NA NA +MJ081190 Thiocolchicoside C27H33NO10S 563.182516 NA MeJP NA NA +PJ005587 SSCMH C20H33N7O8S2 563.1832 NA PeJP NA NA +PJ005588 DDEW C24H29N5O11 563.1864 NA PeJP NA NA +PJ005589 SPDDM C21H33N5O11S 563.1898 NA PeJP NA NA +MJ081191 Polygonapholine C34H29NO7 563.194402 NA MeJP NA NA +MJ081192 Neoipecoside; 3,4-Didehydro C27H33NO12 563.200275 NA MeJP NA NA +PJ005590 GNNEM C20H33N7O10S 563.201 NA PeJP NA NA +PJ005591 GTEEE C21H33N5O13 563.2075 NA PeJP NA NA +PJ005592 GPEMM C22H37N5O8S2 563.2084 NA PeJP NA NA +PJ005593 GCNDR C19H33N9O9S 563.2122 NA PeJP NA NA +MJ081193 Ravidomycin C31H33NO9 563.215531 NA MeJP NA NA +MJ081194 Rocaglatic acid; 3'-Hydroxy, 1-Ac, dimethylamide C31H33NO9 563.215531 NA MeJP NA NA +PJ005594 NNMW C24H33N7O7S 563.2162 NA PeJP NA NA +PJ005595 GGGGMW C24H33N7O7S 563.2163 NA PeJP NA NA +PJ005596 SSNQE C20H33N7O12 563.2187 NA PeJP NA NA +PJ005597 GGGGSTE C20H33N7O12 563.2188 NA PeJP NA NA +PJ005598 PCCNK C21H37N7O7S2 563.2196 NA PeJP NA NA +PJ005599 TEEW C25H33N5O10 563.2228 NA PeJP NA NA +C14125 UR-12947 C26H37N5O5S2 563.2236 NA KEGG NA NA +PJ005600 PMMW C26H37N5O5S2 563.2236 NA PeJP NA NA +PJ005601 GVEEM C22H37N5O10S 563.2261 NA PeJP NA NA +PJ005602 APCHH C23H33N9O6S 563.2275 NA PeJP NA NA +PJ005603 GSSQW C24H33N7O9 563.234 NA PeJP NA NA +PJ005604 EEMR C21H37N7O9S 563.2374 NA PeJP NA NA +PJ005605 PDFW C29H33N5O7 563.238 NA PeJP NA NA +MJ081195 Geodiamolide G; Chloro analogue C28H38ClN3O7 563.239828 NA MeJP NA NA +PJ005606 VEMW C26H37N5O7S 563.2414 NA PeJP NA NA +MJ081196 Elacridar C34H33N3O5 563.242021 NA MeJP NA NA +PJ005607 SSLEE C22H37N5O12 563.2439 NA PeJP NA NA +PJ005608 SPVMM C23H41N5O7S2 563.2448 NA PeJP NA NA +PJ005609 AAEHH C23H33N9O8 563.2452 NA PeJP NA NA +PJ005610 GSNMR C20H37N9O8S 563.2486 NA PeJP NA NA +PJ005611 NHFF C28H33N7O6 563.2493 NA PeJP NA NA +PJ005612 CQKW C25H37N7O6S 563.2526 NA PeJP NA NA +MJ081197 Frakefamide C30H34FN5O5 563.254397 NA MeJP NA NA +PJ005613 SSNKE C21H37N7O11 563.2551 NA PeJP NA NA +PJ005614 DHHR C22H33N11O7 563.2565 NA PeJP NA NA +MJ081198 3-Hydroxycholan-24-oic acid, N-(2-Sulfoethyl)amide, 3-sulfate C26H45NO8S2 563.258658 NA MeJP NA NA +MetaCyc03862 taurolithocholate sulfate [3α-sulfatolithocholyltaurine;taurolithocholic acid 3-sulfate;] C26H45N1O8S2 563.258659 NA metacyc NA NA +HMDB02580 Taurolithocholic acid 3-sulfate C26H45NO8S2 563.258667 NA HMDB2010 NA NA +HMDB02580 Taurolithocholic acid 3-sulfate C26H45NO8S2 563.25867 http://www.hmdb.ca/metabolites/HMDB02580 HMDB NA NA +HMDB02580 Taurolithocholic acid 3-sulfate C26H45NO8S2 563.25867 HMDB02580 PFEM_hmdb_metabocards_official NA NA +C03642 Taurolithocholate sulfate C26H45NO8S2 563.2587 NA KEGG NA NA +C03643 [Tyrosine-3-monoxygenase] C26H45NO8S2 563.2587 NA KEGG NA NA +C03645 alpha-L-Arabinofuranoside C5H9O5R 563.2587 NA KEGG NA NA +PJ005615 SPPTY C26H37N5O9 563.2591 NA PeJP NA NA +PJ005616 GPVEY C26H37N5O9 563.2592 NA PeJP NA NA +PJ005617 ATLEM C23H41N5O9S 563.2625 NA PeJP NA NA +PJ005618 SSSQR C20H37N9O10 563.2664 NA PeJP NA NA +PJ005619 GSSKW C25H37N7O8 563.2704 NA PeJP NA NA +PJ005620 GTQKM C22H41N7O8S 563.2737 NA PeJP NA NA +PJ005621 ASQKM C22H41N7O8S 563.2738 NA PeJP NA NA +PJ005622 PVYW C30H37N5O6 563.2744 NA PeJP NA NA +MJ081199 2-Propyl-4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid C31H33N9O2 563.275721 NA MeJP NA NA +PJ005623 GPLMF C27H41N5O6S 563.2778 NA PeJP NA NA +PJ005624 TTTLE C23H41N5O11 563.2803 NA PeJP NA NA +PJ005625 GLLMM C24H45N5O6S2 563.2811 NA PeJP NA NA +PJ005626 AVLMM C24H45N5O6S2 563.2812 NA PeJP NA NA +PJ005627 NQFR C24H37N9O7 563.2816 NA PeJP NA NA +PJ005628 GTCKR C21H41N9O7S 563.285 NA PeJP NA NA +PJ005629 CKKW C26H41N7O5S 563.289 NA PeJP NA NA +PJ005630 SSDKK C22H41N7O10 563.2915 NA PeJP NA NA +PJ005631 APTLY C27H41N5O8 563.2955 NA PeJP NA NA +MJ081200 Proctolin; 1-L-Alanine analogue C27H41N5O8 563.295513 NA MeJP NA NA +EUR765 Lyso PC 20:5 [M+Na]+ C28H48NO7P 563.298788 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR765 Lyso PC 20:5 [M+Na]+ C28H48NO7P 563.298788 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR765 Lyso PC 20:5 [M+Na]+ C28H48NO7P 563.298788 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR765 Lyso PC 20:5 [M+Na]+ C28H48NO7P 563.298788 masses lipides attendues Inhousejuil11 NA NA +PJ005632 STLLM C24H45N5O8S 563.2989 NA PeJP NA NA +MJ081201 Fosinoprilat; 1'-Propanoyl ester C30H46NO7P 563.301189 NA MeJP NA NA +C07016 Fosinopril C30H46NO7P 563.3012 NA KEGG NA NA +C07017 Transferred to D00331 C30H46NO7P 563.3012 NA KEGG NA NA +C07018 Transferred to D00332 C30H46NO7P 563.3012 NA KEGG NA NA +C07019 Transferred to D00333 C30H46NO7P 563.3012 NA KEGG NA NA +C07020 Transferred to D00334 C30H46NO7P 563.3012 NA KEGG NA NA +C07021 Transferred to D00335 C30H46NO7P 563.3012 NA KEGG NA NA +PJ005633 SSSKR C21H41N9O9 563.3027 NA PeJP NA NA +PJ005634 LEFR C26H41N7O7 563.3068 NA PeJP NA NA +MJ081202 Dictyocarpinine; 14-O-(2-Methylpropanoyl), 6-Ac C30H45NO9 563.309432 NA MeJP NA NA +MJ081203 Neoline; Tri-Ac C30H45NO9 563.309432 NA MeJP NA NA +PJ005635 GTKKM C23H45N7O7S 563.3101 NA PeJP NA NA +PJ005636 VLFW C31H41N5O5 563.3108 NA PeJP NA NA +PJ005637 NKFR C25H41N9O6 563.318 NA PeJP NA NA +EUR532 18 :0 Lyso PE F2 F2 563.318925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR532 18 :0 Lyso PE F2 NA 563.318925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR532 18 :0 Lyso PE F2 F2 563.318925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR532 18 :0 Lyso PE F2 NA 563.318925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR532 18 :0 Lyso PE F2 F2 563.318925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR532 18 :0 Lyso PE F2 NA 563.318925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR532 18 :0 Lyso PE F2 F2 563.318925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR532 18 :0 Lyso PE F2 F2 563.318925 standards wishlist analysés sur QTOF HMDB NA NA +EUR532 18 :0 Lyso PE F2 F2 563.318925 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR532 18 :0 Lyso PE F2 NA 563.318925 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR532 18 :0 Lyso PE F2 F2 563.318925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR532 18 :0 Lyso PE F2 F2 563.318925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR727 Lyso PC 18:3 [M+FA-H]- C26H48NO7P 563.321722 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR727 Lyso PC 18:3 [M+FA-H]- C26H48NO7P 563.321722 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR727 Lyso PC 18:3 [M+FA-H]- C26H48NO7P 563.321722 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR727 Lyso PC 18:3 [M+FA-H]- C26H48NO7P 563.321722 masses lipides attendues Inhousejuil11 NA NA +EUR566 LysoPC(18:3) [M+FA-H]- 563.321725 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR566 LysoPC(18:3) [M+FA-H]- 563.321725 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR566 LysoPC(18:3) [M+FA-H]- 563.321725 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR566 LysoPC(18:3) [M+FA-H]- 563.321725 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR566 LysoPC(18:3) [M+FA-H]- 563.321725 identifiés dans sérum NuGO HMDB NA NA +EUR566 LysoPC(18:3) [M+FA-H]- 563.321725 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR566 LysoPC(18:3) [M+FA-H]- 563.321725 identifies dans serum NuGO Inhousejuil11 NA NA +EUR566 LysoPC(18:3) [M+FA-H]- 563.321725 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR566 LysoPC(18:3) [M+FA-H]- 563.321725 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR878 Lyso PE 20:3 [M-H+acetate]- C25H46NO7P 563.322292 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR878 Lyso PE 20:3 [M-H+acetate]- C25H46NO7P 563.322292 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR878 Lyso PE 20:3 [M-H+acetate]- C25H46NO7P 563.322292 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR878 Lyso PE 20:3 [M-H+acetate]- C25H46NO7P 563.322292 masses lipides attendues Inhousejuil11 NA NA +MJ081204 Petunianine A C34H45NO6 563.324688 NA MeJP NA NA +PJ005638 STTKK C23H45N7O9 563.3279 NA PeJP NA NA +MJ081205 Destruxin A; Destruxin A, N3-De-Me C28H45N5O7 563.331898 NA MeJP NA NA +MJ081206 Destruxin A; Destruxin A2 C28H45N5O7 563.331898 NA MeJP NA NA +PJ005639 GVLLY C28H45N5O7 563.3319 NA PeJP NA NA +MJ081207 Beauverolide F C33H45N3O5 563.335921 NA MeJP NA NA +PJ005640 LLRY C27H45N7O6 563.3432 NA PeJP NA NA +MJ081208 Desocriptine C32H45N5O4 563.347154 NA MeJP NA NA +MJ081209 O-Deethyltalaroconvolutin C; 4',5'-Isopropylidene C35H49NO5 563.361073 NA MeJP NA NA +HMDB11498 LysoPE(0:0/24:1(15Z)) C29H58NO7P 563.395081 NA HMDB2010 NA NA +HMDB11528 LysoPE(24:1(15Z)/0:0) C29H58NO7P 563.395081 NA HMDB2010 NA NA +EUR776 Lyso PC 22:1 [M-H-CH3]- C30H60NO7P 563.395092 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR919 Lyso PE 24:1 monoisotopic mass C29H58NO7P 563.395092 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR776 Lyso PC 22:1 [M-H-CH3]- C30H60NO7P 563.395092 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR919 Lyso PE 24:1 monoisotopic mass C29H58NO7P 563.395092 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR776 Lyso PC 22:1 [M-H-CH3]- C30H60NO7P 563.395092 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR919 Lyso PE 24:1 monoisotopic mass C29H58NO7P 563.395092 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR776 Lyso PC 22:1 [M-H-CH3]- C30H60NO7P 563.395092 masses lipides attendues Inhousejuil11 NA NA +EUR919 Lyso PE 24:1 monoisotopic mass C29H58NO7P 563.395092 masses lipides attendues Inhousejuil11 NA NA +MJ081210 2-Amino-4-octadecene-1,3-diol, N-(9-Octadecenoyl) C36H69NO3 563.527745 NA MeJP NA NA +HMDB04948 Ceramide (d18:1/9Z-18:1) C36H69NO3 563.52777 http://www.hmdb.ca/metabolites/HMDB04948 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04948 Ceramide (d18:1/9Z-18:1) C36H69NO3 563.52777 http://www.hmdb.ca/metabolites/HMDB04948 HMDB NA NA +HMDB04948 Ceramide (d18:1/9Z-18:1) C36H69NO3 563.52777 http://www.hmdb.ca/metabolites/HMDB04948 PFEM_hmdb_metabocards_blood NA blood +HMDB04948 Ceramide (d18:1/9Z-18:1) C36H69NO3 563.52777 HMDB04948 PFEM_hmdb_metabocards_official NA NA +HMDB04948 Ceramide (d18:1/9Z-18:1) C36H69NO3 563.527771 NA HMDB2010 NA NA +HMDB11774 Cer(d18:1/18:1(11Z)) C36H69NO3 563.527771 NA HMDB2010 NA NA +7336 celiac sprue gluten epitope from gamma-gliadin QQPQQQFPQ 563.76 MH2+ Inhouse_peptide NA peptide +7337 celiac sprue gluten epitope from gamma-gliadin QQQQFPQPQ 563.76 MH2+ Inhouse_peptide NA peptide +7410 celiac sprue gluten epitope found in secalin QQQFPQQPQ 563.76 MH2+ Inhouse_peptide NA peptide +MJ081211 2-[Bromo(3,5-dibromo-6-ethyltetrahydro-2H-pyran-2-yl)methyl]-5-(1-bromo-2-propynyl)tetrahydro-3-furanol C15H20Br4O3 563.814595 NA MeJP NA NA +MJ081212 2-[Bromo[3-bromo-5-(1-bromopropyl)tetrahydro-2-furanyl]methyl]-5-(3-bromo-1,2-propadienyl)tetrahydro-3-furanol C15H20Br4O3 563.814595 NA MeJP NA NA +MJ081213 3,6,8,15-Tetrabromo-4,10:9,12-diepoxy-13,14-pentadecadien-7-ol C15H20Br4O3 563.814595 NA MeJP NA NA +MJ081214 Oganomycin GF C18H20N4O9S4 564.011311 NA MeJP NA NA +MJ081215 Dibrospidium (2+); Dichloride C18H32Br2Cl2N4O2 564.026906 NA MeJP NA NA +C12210 UDP-3-ketoglucose C15H22N2O17P2 564.0394 NA KEGG NA NA +MJ081216 Antibiotic FCE 20637 C18H16N10O6S3 564.04164 NA MeJP NA NA +HMDB01328 dTDP-D-glucose C16H26N2O16P2 564.07574 http://www.hmdb.ca/metabolites/HMDB01328 HMDB NA NA +HMDB06876 dTDP-D-galactose C16H26N2O16P2 564.07574 http://www.hmdb.ca/metabolites/HMDB06876 HMDB NA NA +HMDB01328 dTDP-D-glucose C16H26N2O16P2 564.07574 HMDB01328 PFEM_hmdb_metabocards_official NA NA +HMDB06876 dTDP-D-galactose C16H26N2O16P2 564.07574 HMDB06876 PFEM_hmdb_metabocards_official NA NA +HMDB01328 dTDP-D-glucose C16H26N2O16P2 564.075745 NA HMDB2010 NA NA +HMDB06876 dTDP-D-galactose C16H26N2O16P2 564.075745 NA HMDB2010 NA NA +MJ081217 dTDPgalactose C16H26N2O16P2 564.075755 NA MeJP NA NA +MJ081218 dTDPglucose C16H26N2O16P2 564.075755 NA MeJP NA NA +MetaCyc03863 dTDP-D-glucose [dTDP-glucose;] C16H26N2O16P2 564.075756 2009-24-7 metacyc NA NA +MetaCyc03864 dTDP-D-galactose [dTDP-galactose;] C16H26N2O16P2 564.075756 NA metacyc NA NA +C00842 dTDP-glucose C16H26N2O16P2 564.0758 NA KEGG NA NA +C02097 dTDP-galactose C16H26N2O16P2 564.0758 NA KEGG NA NA +MJ081219 9,10-Diiodooctadecanoic acid; Et ester C20H38I2O2 564.096117 NA MeJP NA NA +MJ081220 Pretamazium(1+); Iodide C29H29IN2S 564.109613 NA MeJP NA NA +MJ081221 3,3',5,5',7-Pentahydroxy-4'-methoxyflavone; 3-O-(4-O-Malonyl-?-L-rhamnopyranoside) C25H24O15 564.11152 NA MeJP NA NA +MJ081222 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-Malonyl C25H24O15 564.11152 NA MeJP NA NA +MJ081223 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[6-O-(2-Hydroxysuccinoyl)-?-D-glucopyranoside] C25H25O15(+) 564.11152 NA MeJP NA NA +FL5FADGL0035 Isorhamnetin 3-(6''-malonylglucoside) C25H24O15 564.11152 86555-37-5 knapsack NA NA +FL5FAHGS0005 Larycitrin 3-(4''-malonylrhamnoside);Myricetin 3' methyl ether 3-(4''-malonylrhamnoside) C25H24O15 564.11152 - knapsack NA NA +HMDB05788 Theaflavin C29H24O12 564.12677 http://www.hmdb.ca/metabolites/HMDB05788 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05788 Theaflavin C29H24O12 564.12677 http://www.hmdb.ca/metabolites/HMDB05788 HMDB NA NA +FL5FAAGS0046 Kaempferol 3-(2''-p-coumaryl-alpha-L-arabinopyranoside) C29H24O12 564.12677 - knapsack NA NA +FL5FAAGS0102 Kaempferol 3-(2''-(E)-p-coumaroyl-alpha-L-arabinofuranoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-arabinofuranosyl]oxy]-4H-1-benzopyran-4-one C29H24O12 564.12677 67214-05-5 knapsack NA NA +HMDB05788 Theaflavin C29H24O12 564.12677 http://www.hmdb.ca/metabolites/HMDB05788 PFEM_hmdb_metabocards_blood NA blood +HMDB05788 Theaflavin C29H24O12 564.12677 HMDB05788 PFEM_hmdb_metabocards_official NA NA +HMDB05788 Theaflavin C29H24O12 564.12677 NA HMDB2010 NA NA +MJ081224 3,4',5,7-Tetrahydroxyflavone; 3-O-[4-Hydroxycinnamoyl-(?2)-?-L-arabinofuranoside] C29H24O12 564.126776 NA MeJP NA NA +MJ081225 Theaflavin C29H24O12 564.126776 NA MeJP NA NA +MJ081226 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[3,4-Dihydroxycinnamoyl-(??)-arabinoside] C29H25O12(+) 564.126776 NA MeJP NA NA +MJ081227 Tantazole A C24H32N6O2S4 564.146957 NA MeJP NA NA +MJ081228 Tantazole F C24H32N6O2S4 564.146957 NA MeJP NA NA +C04858 Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside] C26H28O14 564.1479 NA KEGG NA NA +C10110 Neoschaftoside C26H28O14 564.1479 NA KEGG NA NA +C10181 Schaftoside C26H28O14 564.1479 NA KEGG NA NA +C16803 Glucofrangulin B C26H28O14 564.1479 NA KEGG NA NA +FL1A3CGS0008 Leptosidin 6-xylosyl-(1->4)-arabinoside C26H28O14 564.1479 98570-82-2 knapsack NA NA +FL3FAACS0012 Kachimoside;Cachimoside;Vitexin 6''-O-xyloside C26H28O14 564.1479 11054-09-4 knapsack NA NA +FL3FAACS0013 Vicenin 1 C26H28O14 564.1479 35927-38-9 knapsack NA NA +FL3FAACS0014 Schaftoside C26H28O14 564.1479 51938-32-0 knapsack NA NA +FL3FAACS0015 Isocorymboside C26H28O14 564.1479 65634-13-1 knapsack NA NA +FL3FAACS0016 Neocorymboside C26H28O14 564.1479 117065-26-6 knapsack NA NA +FL3FAACS0017 Vitexin 2''-O-alpha-D-arabinofuranoside C26H28O14 564.1479 155346-48-8 knapsack NA NA +FL3FAACS0018 6-C-Xylopyranosyl-8-C-galactopyranosylapigenin C26H28O14 564.1479 142759-73-7 knapsack NA NA +FL3FAACS0019 6-C-Galactopyranosyl-8-C-xylopyranosylapigenin C26H28O14 564.1479 142759-71-5 knapsack NA NA +FL3FAACS0038 Apigenin 8-C-[xylosyl-(1->2)-galactoside] C26H28O14 564.1479 155474-81-0 knapsack NA NA +FL3FAACS0047 Vitexin 2''-O-xyloside C26H28O14 564.1479 11044-10-3 knapsack NA NA +FL3FAACS0048 Isovitexin 2''-O-xyloside C26H28O14 564.1479 53609-37-3 knapsack NA NA +FL3FAACS0049 Vicenin 3 C26H28O14 564.1479 59914-91-9 knapsack NA NA +FL3FAACS0050 Isoschaftoside;Apigenin 6-C-alpha-L-arabinopyranoside-8-C-beta-D-glucopyranoside;Isoshaftoside C26H28O14 564.1479 52012-29-0 knapsack NA NA +FL3FAACS0051 Neoschaftoside C26H28O14 564.1479 61328-41-4 knapsack NA NA +FL3FAACS0052 Neoisoschaftoside C26H28O14 564.1479 71976-87-9 knapsack NA NA +FL3FAACS0053 Isomollupentin 2''-O-glucoside C26H28O14 564.1479 97641-06-0 knapsack NA NA +FL3FAACS0066 6-C-beta-D-Glucopyranosyl-8-C-beta-D-apiofuranosylapigenin;8-D-Apio-beta-D-furanosyl-6-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C26H28O14 564.1479 628708-66-7 knapsack NA NA +FL3FAACS0067 Corymboside;6-alpha-L-Arabinopyranosyl-8-beta-D-galactopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C26H28O14 564.1479 73543-87-0 knapsack NA NA +FL3FAACS0071 Isovitexin 2''-O-arabinoside C26H28O14 564.1479 53382-71-1 knapsack NA NA +FL3FAADS0001 Isovitexin 7-O-xyloside C26H28O14 564.1479 54951-90-5 knapsack NA NA +FL3FAADS0022 Vitexin 4'-O-xyloside C26H28O14 564.1479 28759-40-2 knapsack NA NA +FL3FAADS0023 Isomollupentin 7-O-glucoside C26H28O14 564.1479 97673-60-4 knapsack NA NA +FL3FAADS0024 Isomollupentin 4'-O-glucoside C26H28O14 564.1479 97641-05-9 knapsack NA NA +FL3FAADS0025 Cerarvensin 7-O-glucoside C26H28O14 564.1479 83161-44-8 knapsack NA NA +FL3FAAGS0002 Apiin C26H28O14 564.1479 26544-34-3 knapsack NA NA +FL3FAAGS0016 Apigenin 7-alpha-L-arabinofuranosyl-(1->6)-glucoside C26H28O14 564.1479 111537-39-4 knapsack NA NA +FL3FAAGS0017 Apigenin 7-alpha-L-arabinopyranosyl-(1->6)-glucoside C26H28O14 564.1479 111537-38-3 knapsack NA NA +FL3FAAGS0018 Apigenin 7-xylosyl-(1->2)-glucoside C26H28O14 564.1479 - knapsack NA NA +FL3FAAGS0019 Apigenin 7-xylosyl-(1->6)-glucoside C26H28O14 564.1479 111537-37-2 knapsack NA NA +FL3FAAGS0057 Apigenin 7-apiofuranosyl-(1->6)-glucoside;5,7,4'-Trihydroxyflavone 7-apiofuranosyl-(1->6)-glucoside;7-[(6-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C26H28O14 564.1479 165073-98-3 knapsack NA NA +FL3FACCS0023 6-C-Xylosylluteolin 2''-O-rhamnoside C26H28O14 564.1479 33569-10-7 knapsack NA NA +FL3FADGS0014 Luteolin 3'-methyl ether 7,4'-dixyloside C26H28O14 564.1479 - knapsack NA NA +FL3FEAGS0007 Scutellarein 7-xylosyl-(1->4)rhamnoside C26H28O14 564.1479 28620-94-2 knapsack NA NA +FL3FEAGS0012 Scutellarein 6-xyloside-7-rhamnoside C26H28O14 564.1479 83531-16-2 knapsack NA NA +FL3FEAGS0049 Hispidulin 7-xylosyl-(1->2)-xyloside;Mahuangchiside;5-Hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2-O-beta-D-xylopyranosyl-beta-D-xylopyranosyl)oxy]-4H-1-benzopyran-4-one C26H28O14 564.1479 261361-51-7 knapsack NA NA +FL3FGCGS0004 5,7,3'-Trihydroxy-6.8,4'-trimethoxyflavone 5-(6''-acetylglucoside) C26H28O14 564.1479 72209-43-9 knapsack NA NA +FL5FAAGS0019 Kaempferol 3-rhamnosyl-(1->4)-xyloside C26H28O14 564.1479 61402-81-1 knapsack NA NA +FL5FAAGS0020 Kaempferol 3-xylosyl-(1->2)-rhamnoside C26H28O14 564.1479 130931-80-5 knapsack NA NA +FL5FAAGS0023 Kaempferol 3-alpha-L-arabinofuranoside-7-rhamnoside C26H28O14 564.1479 89946-00-9 knapsack NA NA +FL5FAAGS0025 Lepidoside C26H28O14 564.1479 102733-90-4 knapsack NA NA +FL5FAAGS0026 Kaempferol 3-rhamnoside-7-alpha-L-arabionopyranoside C26H28O14 564.1479 71801-95-1 knapsack NA NA +FL5FAAGS0027 Kaempferol 3-rhamnoside-7-xyloside C26H28O14 564.1479 132618-21-4 knapsack NA NA +FL5FAAGS0033 Kaempferol 3-rhamnoside-4'-xyloside C26H28O14 564.1479 132536-65-3 knapsack NA NA +FL5FAAGS0071 Artabotryside B;Kaempferol 3-rhamnosyl-(1->2)-alpha-L-arabinofuranoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinofuranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-Bbenzopyran-4-one C26H28O14 564.1479 188837-52-7 knapsack NA NA +FL5FECGS0057 Patuletin 7-(6''-isobutyrylglucoside);Quercetagetin 6-methyl ether 7-(6''-isobutyrylglucoside);2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[[6-O-(2-methyl-1-oxopropyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C26H28O14 564.1479 239133-35-8 knapsack NA NA +FLIAAACS0003 8-C-Glucopyranosylgenistein 6''-O-apioside C26H28O14 564.1479 114240-17-4 knapsack NA NA +FLIAAAGS0010 Genistein 7-O-apiosyl-(1->6)-glucoside;Ambocin C26H28O14 564.1479 108044-05-9 knapsack NA NA +FLIAAAGS0012 Genistein 7-O-glucoside-4'-O-apioside;Neobacin C26H28O14 564.1479 108069-00-7 knapsack NA NA +MJ081229 7-O-(beta-D-apiofuranosyl-1,2-beta-D-glucosyl)-5,7,4'-trihydroxyflavone C26H28O14 564.147905 NA MeJP NA NA +MJ081230 1,2,3-Trihydroxyanthraquinone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C26H28O14 564.147905 NA MeJP NA NA +MJ081231 1,2,5-Trihydroxy-6-methylanthraquinone; 2-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C26H28O14 564.147905 NA MeJP NA NA +MJ081232 1,2,7-Trihydroxy-6-methylanthraquinone; O2-?-Primeveroside C26H28O14 564.147905 NA MeJP NA NA +MJ081233 1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-?-D-Apiofuranoside, 1-O-?-D-glucopyranoside C26H28O14 564.147905 NA MeJP NA NA +MJ081234 1,3-Dihydroxy-2-hydroxymethylanthraquinone; 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C26H28O14 564.147905 NA MeJP NA NA +MJ081235 3',4',5,7-Tetrahydroxy 6-xylopyranosylflavone; ?-D-form, 2''-O-?-L-Rhamnopyranosyl C26H28O14 564.147905 NA MeJP NA NA +MJ081236 3',4',6,7-Tetrahydroxyaurone; 7-Me ether, 6-O-[?-D-xylopyranosyl-(1?4)-?-D-arabinopyranoside] C26H28O14 564.147905 NA MeJP NA NA +MJ081237 3',5,7-Trihydroxy-4',6,8-trimethoxyflavone; 5-O-(6-O-Acetyl-?-D-glucopyranoside) C26H28O14 564.147905 NA MeJP NA NA +MJ081238 3,3',4',5,6,7-Hexahydroxyflavone; 7-O-[2-Methylbutanoyl-(?6)-?-D-glucopyranoside] C26H28O14 564.147905 NA MeJP NA NA +MJ081239 3,3',4',5,6,7-Hexahydroxyflavone; 7-O-[3-Methylbutanoyl-(?6)-?-D-glucopyranoside] C26H28O14 564.147905 NA MeJP NA NA +MJ081240 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 7-O-[2-Methylpropanoyl-(?6)-?-D-glucopyranoside] C26H28O14 564.147905 NA MeJP NA NA +MJ081241 3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Arabinofuranoside, 7-O-?-L-rhamnofuranoside C26H28O14 564.147905 NA MeJP NA NA +MJ081242 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside] C26H28O14 564.147905 NA MeJP NA NA +MJ081243 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinofuranoside] C26H28O14 564.147905 NA MeJP NA NA +MJ081244 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-xylopyranoside] C26H28O14 564.147905 NA MeJP NA NA +MJ081245 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1??)-xyloside] C26H28O14 564.147905 NA MeJP NA NA +MJ081246 3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Arabinofuranoside, 7-O-?-L-rhamnofuranoside C26H28O14 564.147905 NA MeJP NA NA +MJ081247 3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 4'-O-?-D-xylopyranoside C26H28O14 564.147905 NA MeJP NA NA +MJ081248 3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-?-D-xylopyranoside C26H28O14 564.147905 NA MeJP NA NA +MJ081249 4',5,6,7-Tetrahydroxyflavone; 6-O-?-D-Xylopyranoside, 7-O-?-L-rhamnoside C26H28O14 564.147905 NA MeJP NA NA +MJ081250 4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?4)-?-L-rhamnopyranoside] C26H28O14 564.147905 NA MeJP NA NA +MJ081251 4',5,7-Trihydroxy-3'-methoxyflavone; 4',7-Di-O-?-D-xylopyranoside C26H28O14 564.147905 NA MeJP NA NA +MJ081252 4',5,7-Trihydroxy-6-methoxyflavone; 7-O-[?-D-Xylopyranosyl-(1?2)-?-D-xylopyranoside] C26H28O14 564.147905 NA MeJP NA NA +MJ081253 4',5,7-Trihydroxy-6-xylosyl-8-glucosylflavone C26H28O14 564.147905 NA MeJP NA NA +MJ081254 4',5,7-Trihydroxyflavone; 4'-O-[?-D-Xylofuranosyl-(1?4)-?-D-glucopyranoside] C26H28O14 564.147905 NA MeJP NA NA +MJ081255 4',5,7-Trihydroxyflavone; 7-O-[Arabinosyl-(1??)-glucoside] C26H28O14 564.147905 NA MeJP NA NA +MJ081256 4',5,7-Trihydroxyflavone; 7-O-[Xylosyl-(1??)-glucoside] C26H28O14 564.147905 NA MeJP NA NA +MJ081257 4',5,7-Trihydroxyisoflavone; 4'-O-?-D-Apiofuranoside, 7-O-?-D-glucopyranoside C26H28O14 564.147905 NA MeJP NA NA +MJ081258 4',5,7-Trihydroxyisoflavone; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C26H28O14 564.147905 NA MeJP NA NA +MJ081259 8-Galactopyranosyl-4',5,7-trihydroxyflavone; 2''-O-?-D-Xylopyranosyl C26H28O14 564.147905 NA MeJP NA NA +MJ081260 8-Glucopyranosyl-4',5,7-trihydroxyisoflavone; 6''-O-Apiosyl C26H28O14 564.147905 NA MeJP NA NA +MJ081261 Afzelin; 7-O-?-L-Arabinopyranoside C26H28O14 564.147905 NA MeJP NA NA +MJ081262 Afzelin; O''-?-D-Xylopyranosyl C26H28O14 564.147905 NA MeJP NA NA +MJ081263 Cerarvensin; 7-O-?-D-Glucopyranoside C26H28O14 564.147905 NA MeJP NA NA +MJ081264 Corymboside C26H28O14 564.147905 NA MeJP NA NA +MJ081265 Cosmosiin; 2''-?-D-Apiofuranosyl C26H28O14 564.147905 NA MeJP NA NA +MJ081266 Cosmosiin; 2''-O-?-D-Xylopyranosyl C26H28O14 564.147905 NA MeJP NA NA +MJ081267 Cosmosiin; 6''-O-?-D-Apiofuranosyl C26H28O14 564.147905 NA MeJP NA NA +MJ081268 Cosmosiin; 6''-O-?-D-Xylopyranosyl C26H28O14 564.147905 NA MeJP NA NA +MJ081269 Cosmosiin; 6''-O-?-L-Arabinofuranosyl C26H28O14 564.147905 NA MeJP NA NA +MJ081270 Cosmosiin; 6''-O-?-L-Arabinopyranosyl C26H28O14 564.147905 NA MeJP NA NA +MJ081271 Cosmosiin; O''-?-L-Arabinopyranosyl C26H28O14 564.147905 NA MeJP NA NA +MJ081272 Isomollupentin; 2''-O-?-D-Glucopyranoside C26H28O14 564.147905 NA MeJP NA NA +MJ081273 Isomollupentin; 4'-O-?-D-Glucopyranoside C26H28O14 564.147905 NA MeJP NA NA +MJ081274 Isomollupentin; 7-O-?-D-Glucopyranoside C26H28O14 564.147905 NA MeJP NA NA +MJ081275 Isoschaftoside C26H28O14 564.147905 NA MeJP NA NA +MJ081276 Isovitexin; 2''-O-?-D-Xylopyranosyl C26H28O14 564.147905 NA MeJP NA NA +MJ081277 Isovitexin; 2''-O-?-L-Arabinopyranosyl C26H28O14 564.147905 NA MeJP NA NA +MJ081278 Isovitexin; 4'-O-Arabinoside C26H28O14 564.147905 NA MeJP NA NA +MJ081279 Isovitexin; 6''-O-Arabinosyl C26H28O14 564.147905 NA MeJP NA NA +MJ081280 Isovitexin; 7-O-Xyloside C26H28O14 564.147905 NA MeJP NA NA +MJ081281 Neocorymboside C26H28O14 564.147905 NA MeJP NA NA +MJ081282 Neoisoschaftoside C26H28O14 564.147905 NA MeJP NA NA +MJ081283 Schaftoside C26H28O14 564.147905 NA MeJP NA NA +MJ081284 Vicenin 1 C26H28O14 564.147905 NA MeJP NA NA +MJ081285 Vitexin; 2''-O-?-D-Xylopyranosyl C26H28O14 564.147905 NA MeJP NA NA +MJ081286 Vitexin; 2''-O-?-D-Arabinofuranosyl C26H28O14 564.147905 NA MeJP NA NA +MJ081287 Vitexin; 4'-O-D-Xyloside C26H28O14 564.147905 NA MeJP NA NA +MJ081288 Vitexin; 6''-O-Xylosyl C26H28O14 564.147905 NA MeJP NA NA +MJ081289 ?-Rhamnoisorobin; 3-O-?-D-Xylopyranoside C26H28O14 564.147905 NA MeJP NA NA +MJ081290 ?-Rhamnoisorobin; 3-O-?-L-Arabinofuranoside C26H28O14 564.147905 NA MeJP NA NA +MJ081291 ?-Rhamnoisorobin; 3-O-?-L-Arabinopyranoside C26H28O14 564.147905 NA MeJP NA NA +MJ081292 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside] C26H29O14(+) 564.147905 NA MeJP NA NA +MJ081293 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside] C26H29O14(+) 564.147905 NA MeJP NA NA +MJ081294 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C26H29O14(+) 564.147905 NA MeJP NA NA +MJ081295 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[Xylosyl-(1??)-galactoside] C26H29O14(+) 564.147905 NA MeJP NA NA +MJ081296 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[Xylosyl-(??)-?-D-glucopyranoside] C26H29O14(+) 564.147905 NA MeJP NA NA +MetaCyc03865 7-O-(β-D-apiofuranosyl-(1-2)-β-D-glucosyl)-apigenin [apiin;apioside;7-[(2-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;7-O-(β-D-apiofuranosyl-(1-2)-β-D-glucosyl)-5,7,4'-trihydroxyflavone;] C26H28O14 564.147906 26544-34-3 metacyc NA NA +MetaCyc03866 homoferreirin-7-O-glucoside-6''-malonate [] C26H28O14 564.147906 NA metacyc NA NA +MJ081297 Aloin, 6'-O-(p-Hydroxycinnamoyl) C30H28O11 564.163161 NA MeJP NA NA +MJ081298 Aloin, 6'-(p-Hydroxycinnamoyl) C30H28O11 564.163161 NA MeJP NA NA +MJ081299 Rhododactynaphin jc-2 C30H28O11 564.163161 NA MeJP NA NA +MJ081300 Xanthodactynaphin jc-1; 3-Deoxy C30H28O11 564.163161 NA MeJP NA NA +MetaCyc03867 protoaphin aglucone [] C30H28O11 564.163162 NA metacyc NA NA +C02879 Protoaphin aglucone C30H28O11 564.1632 NA KEGG NA NA +PJ005641 SNDDD C19H28N6O14 564.1664 NA PeJP NA NA +PJ005642 PCCNE C20H32N6O9S2 564.1672 NA PeJP NA NA +PJ005643 GGPCCE C20H32N6O9S2 564.1673 NA PeJP NA NA +MJ081301 5,6,6a,14a-Tetrahydro-5,6-dihydroxy-3,10-bis(2-phenylethyl)-1H,12H-[1]benzopyrano[7,6-b]pyrano[3,2-f][1,4]benzodioxin-1,12-dione C34H28O8 564.178417 NA MeJP NA NA +MJ081302 Kuwanol A C34H28O8 564.178417 NA MeJP NA NA +PJ005644 GPCCW C24H32N6O6S2 564.1825 NA PeJP NA NA +FL1C1AGS0006 Isoliquiritigenin 2'-glucosyl-(1->4)-rhamnoside C27H32O13 564.18429 78795-34-3 knapsack NA NA +FL2FA9GS0001 Pinocembrin 7-rhamnosylglucoside;Pinocembrin 7-O-neohesperidoside C27H32O13 564.18429 13241-31-1 knapsack NA NA +FL2FDAGS0001 Naringenin 5,7-dimethyl ether 4'-O-xylosyl-(1->4)-arabinoside C27H32O13 564.18429 73485-86-6 knapsack NA NA +MJ081303 1,8-Dihydroxy-3-methyl-9(10H)-anthracenone; O-Diglucoside C27H32O13 564.184291 NA MeJP NA NA +MJ081304 10-Hydroxyoleoside, 10-Cinnamoyl(E-), di-Me ester C27H32O13 564.184291 NA MeJP NA NA +MJ081305 2',4',6'-Trihydroxyacetophenone; 2'-O-(3-Hydroxy-3-methylbutanoyl), 4'-O-[4-hydroxyphenylacetyl-(?4)-?-D-glucopyranoside] C27H32O13 564.184291 NA MeJP NA NA +MJ081306 2',4,4'-Trihydroxychalcone; 2'-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C27H32O13 564.184291 NA MeJP NA NA +MJ081307 2',4,4'-Trihydroxychalcone; 4-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C27H32O13 564.184291 NA MeJP NA NA +MJ081308 2,4,7-Phenanthrenetriol; 4-Me ether, 2,7-di-O-?-D-glucopyranoside C27H32O13 564.184291 NA MeJP NA NA +MJ081309 4',5,7-Trihydroxyflavanone, 5,7-Di-Me ether, 4'-O-[?-D-xylopyranosyl-?-D-arabinopyranoside] C27H32O13 564.184291 NA MeJP NA NA +MJ081310 4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] C27H32O13 564.184291 NA MeJP NA NA +MJ081311 4',7-Dihydroxyflavanone, 4'-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C27H32O13 564.184291 NA MeJP NA NA +MJ081312 5,7-Dihydroxyflavanone, 7-O-Rutinoside C27H32O13 564.184291 NA MeJP NA NA +MJ081313 5,7-Dihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H32O13 564.184291 NA MeJP NA NA +MJ081314 Aloin, 1''-Deoxy, 8-O-?-D-glucopyranoside C27H32O13 564.184291 NA MeJP NA NA +MJ081315 Aloin, 1''-O-?-L-Rhamnopyranoside C27H32O13 564.184291 NA MeJP NA NA +MJ081316 Aloin, 1''-Deoxy, 8-O-?-D-glucopyranoside C27H32O13 564.184291 NA MeJP NA NA +MJ081317 Aloin, 1''-O-?-L-Rhamnopyranoside C27H32O13 564.184291 NA MeJP NA NA +MJ081318 Cytifoliol; Glycoside C27H32O13 564.184291 NA MeJP NA NA +MJ081319 Cytifolioside C27H32O13 564.184291 NA MeJP NA NA +MJ081320 Geniposidic acid; 10-(3,4-Dimethoxycinnamoyl)(E-) C27H32O13 564.184291 NA MeJP NA NA +MJ081321 Scandoside; 6-O-(4-Methoxycinnamoyl)(E-), Me ester C27H32O13 564.184291 NA MeJP NA NA +MJ081322 Scandoside; 6-O-(4-Methoxycinnamoyl)(Z-), Me ester C27H32O13 564.184291 NA MeJP NA NA +C09828 Pinocembrin 7-rhamnosylglucoside C27H32O13 564.1843 NA KEGG NA NA +C16800 Cascaroside D C27H32O13 564.1843 NA KEGG NA NA +C16801 Cascaroside C C27H32O13 564.1843 NA KEGG NA NA +C17779 Aloinoside A C27H32O13 564.1843 NA KEGG NA NA +C17780 Aloinoside B C27H32O13 564.1843 NA KEGG NA NA +PJ005645 GNDEM C20H32N6O11S 564.185 NA PeJP NA NA +PJ005646 GCDDR C19H32N8O10S 564.1962 NA PeJP NA NA +PJ005647 GGGGGGTC C19H32N8O10S 564.1963 NA PeJP NA NA +MJ081323 Quanolirone I; 4''-Deglycosyl C31H32O10 564.199547 NA MeJP NA NA +PJ005648 NDMW C24H32N6O8S 564.2003 NA PeJP NA NA +PJ005649 SSNEE C20H32N6O13 564.2028 NA PeJP NA NA +PJ005650 SPCQM C21H36N6O8S2 564.2036 NA PeJP NA NA +C03281 Kanamycin A 3'-phosphate C18H37N4O14P 564.2044 NA KEGG NA NA +C03282 Killer toxin precursor C18H37N4O14P 564.2044 NA KEGG NA NA +MJ081324 ?-D-Glucopyranosyl-(1?2)-[?-D-apiofuranosyl(1?6)]-D-glucose; ?-D-Pyranose-form, Benzyl glycoside C24H36O15 564.20542 NA MeJP NA NA +MJ081325 Benzyl alcohol; O-[?-D-Apiofuranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C24H36O15 564.20542 NA MeJP NA NA +MJ081326 Renieramycin A; 1-Oxo, 3-deoxy C30H32N2O9 564.21078 NA MeJP NA NA +PJ005651 GSSSNN C19H32N8O12 564.214 NA PeJP NA NA +PJ005652 SPCCR C20H36N8O7S2 564.2149 NA PeJP NA NA +PJ005653 ACWW C28H32N6O5S 564.2155 NA PeJP NA NA +PJ005654 GSSEW C24H32N6O10 564.218 NA PeJP NA NA +PJ005655 MMHF C25H36N6O5S2 564.2189 NA PeJP NA NA +MJ081327 1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3,4'-Di-Me ether, 5-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H36O12 564.220676 NA MeJP NA NA +MJ081328 2,3-Epoxy-8,9-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(3S-Acetoxy-2R-hydroxy-2-methylbutanoyl), 9-(2-methylbutanoyl), Me ester C28H36O12 564.220676 NA MeJP NA NA +MJ081329 3,3',4,4',5'-Pentahydroxylignan-9,9'-olide, 3,3',4',5'-Tetra-Me ether, 4-O-?-D-glucopyranoside C28H36O12 564.220676 NA MeJP NA NA +MJ081330 8,17-Epoxy-2,3,9,11,12-pentahydroxy-5,13-briaradien-18,7-olide, 2,3,9,12-Tetra-Ac C28H36O12 564.220676 NA MeJP NA NA +MJ081331 8,17-Epoxy-2,3,9,13,14-pentahydroxy-5,11-briaradien-18,7-olide, 2,3,9,14-Tetra-Ac C28H36O12 564.220676 NA MeJP NA NA +MJ081332 8,17-Epoxy-2,3,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, tetra-Ac C28H36O12 564.220676 NA MeJP NA NA +MJ081333 8,17-Epoxy-2,4,9,11,12-pentahydroxy-5,13-briaradien-18,7-olide, 2,4,9,12-Tetra-Ac C28H36O12 564.220676 NA MeJP NA NA +MJ081334 8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2,4,9,14-tetra-Ac C28H36O12 564.220676 NA MeJP NA NA +MJ081335 Bruceolide; 15-(4-Hydroxy-3,4-dimethyl-2E-pentenoyl) C28H36O12 564.220676 NA MeJP NA NA +MJ081336 Hydramacroside A C28H36O12 564.220676 NA MeJP NA NA +MJ081337 Woorenogenin; 9-O-?-D-Glucopyranoside C28H36O12 564.220676 NA MeJP NA NA +PJ005656 GTQEM C21H36N6O10S 564.2214 NA PeJP NA NA +PJ005657 GYYY C29H32N4O8 564.222 NA PeJP NA NA +MJ081338 Saframycin A; 25-Alcohol C29H32N4O8 564.222014 NA MeJP NA NA +MJ081339 Maytansinol C28H37ClN2O8 564.223843 NA MeJP NA NA +MJ081340 Apateline; 5'-Hydroxy C34H32N2O6 564.226036 NA MeJP NA NA +MJ081341 Cocsoline, N2'-Oxide(?-) C34H32N2O6 564.226036 NA MeJP NA NA +MJ081342 Cocsulinine; N-De-Me C34H32N2O6 564.226036 NA MeJP NA NA +MJ081343 Kohatine C34H32N2O6 564.226036 NA MeJP NA NA +MJ081344 Pachygonamine C34H32N2O6 564.226036 NA MeJP NA NA +MJ081345 Pangkoramine; 1',2'-Didehydro C34H32N2O6 564.226036 NA MeJP NA NA +MJ081346 Aerobactin C22H36N4O13 564.227887 NA MeJP NA NA +MetaCyc03868 aerobactin [aerobactin minus Fe3;] C22H36N4O13 564.227887 NA metacyc NA NA +C05554 Aerobactin C22H36N4O13 564.2279 NA KEGG NA NA +C05555 Aminoadip. C22H36N4O13 564.2279 NA KEGG NA NA +HMDB04051 Aerobactin C22H36N4O13 564.227905 NA HMDB2010 NA NA +HMDB04051 Aerobactin C22H36N4O13 564.22791 http://www.hmdb.ca/metabolites/HMDB04051 HMDB NA NA +HMDB04051 Aerobactin C22H36N4O13 564.22791 HMDB04051 PFEM_hmdb_metabocards_official NA NA +PJ005658 GNNNF C23H32N8O9 564.2292 NA PeJP NA NA +PJ005659 GGGNNF C23H32N8O9 564.2293 NA PeJP NA NA +PJ005660 GSDMR C20H36N8O9S 564.2326 NA PeJP NA NA +PJ005661 SSWW C28H32N6O7 564.2333 NA PeJP NA NA +PJ005662 TQMW C25H36N6O7S 564.2366 NA PeJP NA NA +PJ005663 GGGPMF C25H36N6O7S 564.2367 NA PeJP NA NA +PJ005664 SSDKE C21H36N6O12 564.2391 NA PeJP NA NA +PJ005665 GVQMM C22H40N6O7S2 564.24 NA PeJP NA NA +PJ005666 GSQHH C22H32N10O8 564.2405 NA PeJP NA NA +MJ081347 9,13-Dihydroxy-4-megastigmen-3-one; 13-Carboxylic acid, 9-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C25H40O14 564.241805 NA MeJP NA NA +MJ081348 Raunescine C31H36N2O8 564.247166 NA MeJP NA NA +PJ005667 TCRW C24H36N8O6S 564.2479 NA PeJP NA NA +PJ005668 SSSER C20H36N8O11 564.2504 NA PeJP NA NA +MJ081349 Magnolignan F C36H36O6 564.251188 NA MeJP NA NA +MJ081350 ?-Diohobanin C36H36O6 564.251188 NA MeJP NA NA +PJ005669 QMMR C21H40N8O6S2 564.2512 NA PeJP NA NA +PJ005670 GAMMR C21H40N8O6S2 564.2513 NA PeJP NA NA +PJ005671 GTTTW C25H36N6O9 564.2544 NA PeJP NA NA +MJ081351 11(15?1)-Abeo-11-taxene-2,4,5,7,9,10,13,15,20-nonol, 2-Benzoyl, 20-Ac C29H40O11 564.257062 NA MeJP NA NA +MJ081352 11(15?1)-Abeo-11-taxene-2,4,5,7,9,10,13,15,20-nonol, 20-Benzoyl, 5-Ac C29H40O11 564.257062 NA MeJP NA NA +MJ081353 2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide, 2-O-?-D-Glucopyranoside C29H40O11 564.257062 NA MeJP NA NA +MJ081354 2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide, 3-O-?-D-Glucopyranoside C29H40O11 564.257062 NA MeJP NA NA +MJ081355 Neocynaversicoside C29H40O11 564.257062 NA MeJP NA NA +MJ081356 Roridin A; 9?,10?-Epoxy, 16-hydroxy C29H40O11 564.257062 NA MeJP NA NA +MJ081357 Sarmentosigenin E; 3-O-L-Talomethyloside C29H40O11 564.257062 NA MeJP NA NA +MJ081358 Syriobioside C29H40O11 564.257062 NA MeJP NA NA +PJ005672 GTKEM C22H40N6O9S 564.2578 NA PeJP NA NA +PJ005673 CMRR C20H40N10O5S2 564.2625 NA PeJP NA NA +PJ005674 NEFR C24H36N8O8 564.2656 NA PeJP NA NA +PJ005675 GTTMR C21H40N8O8S 564.269 NA PeJP NA NA +MJ081359 Pseudotheonamide D C29H36N6O6 564.269632 NA MeJP NA NA +PJ005676 VNFW C29H36N6O6 564.2697 NA PeJP NA NA +MJ081360 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl, 2,10-di-Ac C33H40O8 564.272318 NA MeJP NA NA +MJ081361 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl, 2,9-di-Ac C33H40O8 564.272318 NA MeJP NA NA +MJ081362 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl, 9,10-di-Ac C33H40O8 564.272318 NA MeJP NA NA +MJ081363 Depsidellin A C33H40O8 564.272318 NA MeJP NA NA +MJ081364 Morinol A C33H40O8 564.272318 NA MeJP NA NA +MJ081365 Zuelanin; 2?-Hydroxy, 6?-cinnamoyloxy C33H40O8 564.272318 NA MeJP NA NA +MJ081366 Zuelanin; 2?-Hydroxy, 6?-cinnamoyloxy C33H40O8 564.272318 NA MeJP NA NA +MJ081367 Zuelanin; 6?-Hydroxy, 2?-cinnamoyloxy C33H40O8 564.272318 NA MeJP NA NA +PJ005677 TKMW C26H40N6O6S 564.273 NA PeJP NA NA +PJ005678 STTKE C22H40N6O11 564.2755 NA PeJP NA NA +PJ005679 GVKMM C23H44N6O6S2 564.2764 NA PeJP NA NA +PJ005680 GSKHH C23H36N10O7 564.2769 NA PeJP NA NA +MJ081368 Cholestane-3,21-diol, Disulfate C27H48O8S2 564.279059 NA MeJP NA NA +PJ005681 GFRW C28H36N8O5 564.2809 NA PeJP NA NA +PJ005682 STTTR C21H40N8O10 564.2868 NA PeJP NA NA +PJ005683 KMMR C22H44N8O5S2 564.2876 NA PeJP NA NA +2741 regulating the frequency of heart muscles contraction peptide KLDAPTNKWG 564.2889 MH2+ Inhouse_peptide NA peptide +PJ005684 GPTKY C26H40N6O8 564.2908 NA PeJP NA NA +C08875 Musaroside C30H44O10 564.2934 NA KEGG NA NA +C08884 Vernadigin C30H44O10 564.2934 NA KEGG NA NA +MJ081369 18,20-Epoxy-3,5,14-trihydroxy-19-oxo-24-norcholan-23,21-olide, 3-O-?-D-Cymaropyranoside C30H44O10 564.293447 NA MeJP NA NA +MJ081370 2,3,14-Trihydroxy-11-oxo-20(22)-cardenolide, 3-O-[6-Deoxy-3-O-methyl-?-D-galactopyranoside] C30H44O10 564.293447 NA MeJP NA NA +MJ081371 2,8,9,13,14-Pentahydroxy-5,11-briaradien-18-7-olide; 2-Hexanoyl, 13,14-di-Ac C30H44O10 564.293447 NA MeJP NA NA +MJ081372 3,12,14-Trihydroxy-11-oxocard-20(22)-enolide, 3-O-D-Digitaloside C30H44O10 564.293447 NA MeJP NA NA +MJ081373 3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Diginoside C30H44O10 564.293447 NA MeJP NA NA +MJ081374 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-allopyranoside) C30H44O10 564.293447 NA MeJP NA NA +MJ081375 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-galactopyranoside) C30H44O10 564.293447 NA MeJP NA NA +MJ081376 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-glucopyranoside) C30H44O10 564.293447 NA MeJP NA NA +MJ081377 3,8(17)-Dolabelladiene-2,7,16,18-tetrol, 7-Ketone, 2,18-di-Ac, 16-(3-hydroxy-3-methylglutaryl) C30H44O10 564.293447 NA MeJP NA NA +MJ081378 Cannogeninic acid; 3-O-(6-Deoxy-3-O-methyl-L-glucopyranoside) C30H44O10 564.293447 NA MeJP NA NA +MJ081379 Macrolactin A; 15-O-?-D-Glucopyranoside C30H44O10 564.293447 NA MeJP NA NA +MJ081380 Macrolactin A; 7-O-?-D-Glucopyranoside C30H44O10 564.293447 NA MeJP NA NA +MJ081381 Strophanthidinic acid; 3-O-(2,6-Dideoxy-3-O-methyl-ribo-hexopyranoside) C30H44O10 564.293447 NA MeJP NA NA +MJ081382 Walleside C30H44O10 564.293447 NA MeJP NA NA +PJ005685 TTCLK C23H44N6O8S 564.2941 NA PeJP NA NA +PJ005686 SSLKM C23H44N6O8S 564.2942 NA PeJP NA NA +MJ081383 Asterriquinol D; 1',1''-Bis(1,1-dimethyl-2-propenyl), di-Me ether C36H40N2O4 564.298807 NA MeJP NA NA +PJ005687 VQRY C25H40N8O7 564.302 NA PeJP NA NA +MJ081384 Geldanamycin; 18,21-Hydroquinone C29H44N2O9 564.304681 NA MeJP NA NA +C09050 Bonafousine C35H40N4O3 564.31 NA KEGG NA NA +MJ081385 Bonafousine C35H40N4O3 564.310041 NA MeJP NA NA +MJ081386 Isobonafousine C35H40N4O3 564.310041 NA MeJP NA NA +MJ081387 Cycloart-24-ene-3,23,28-triol, 28-Carboxylic acid, 23-ketone, 3-O-sulfate, Me ester C31H48O7S 564.312074 NA MeJP NA NA +PJ005688 SFRR C24H40N10O6 564.3132 NA PeJP NA NA +PJ005689 ARRY C24H40N10O6 564.3133 NA PeJP NA NA +MJ081388 Actinioerythrol; Diketone C38H44O4 564.323959 NA MeJP NA NA +PJ005690 PHRR C23H40N12O5 564.3245 NA PeJP NA NA +PJ005691 AALKY C27H44N6O7 564.3272 NA PeJP NA NA +MJ081389 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,3-Di-O-methyl-?-D-glucopyranoside) C31H48O9 564.329833 NA MeJP NA NA +MJ081390 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(2,3-Di-O-methyl-?-D-fucopyranoside) C31H48O9 564.329833 NA MeJP NA NA +MJ081391 Cholesta-7,22-diene-2,3,5,6,9,11,19-heptol, 11,19-Di-Ac C31H48O9 564.329833 NA MeJP NA NA +PJ005692 VKRY C26H44N8O6 564.3384 NA PeJP NA NA +MJ081392 Manzamine A, 2-N-Oxide C36H44N4O2 564.346426 NA MeJP NA NA +MJ081393 Manzamine A, 31,34-Epoxide, 32,33-dihydro C36H44N4O2 564.346426 NA MeJP NA NA +MJ081394 Manzamine A, 31-Oxo, 32,33-dihydro C36H44N4O2 564.346426 NA MeJP NA NA +MJ081395 Manzamine A, 6-Hydroxy C36H44N4O2 564.346426 NA MeJP NA NA +MJ081396 Manzamine A, 8-Hydroxy C36H44N4O2 564.346426 NA MeJP NA NA +MJ081397 Manzamine M C36H44N4O2 564.346426 NA MeJP NA NA +MJ081398 11-Hydroxyhexadecanoic acid, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] C28H52O11 564.350962 NA MeJP NA NA +MJ081399 Valnemulin C31H52N2O5S 564.359693 NA MeJP NA NA +C12066 Valnemulin C31H52N2O5S 564.3597 NA KEGG NA NA +MJ081400 Antibiotic AB 023; Antibiotic AB 023B C32H52O8 564.366218 NA MeJP NA NA +MJ081401 Spirostane-2,3-diol, 2-O-?-L-Arabinopyranoside C32H52O8 564.366218 NA MeJP NA NA +MJ081402 3,27-Dihydroxy-12-ursen-28-oic acid, 27-O-(4-Hydroxyphenyl) C36H52O5 564.381474 NA MeJP NA NA +MJ081403 3,28-Dihydroxy-12-ursen-27-oic acid, 28-(4-Hydroxyphenyl) ether C36H52O5 564.381474 NA MeJP NA NA +MJ081404 Semperviraminol C35H52N2O4 564.392708 NA MeJP NA NA +C08583 Canthaxanthin C40H52O2 564.3967 NA KEGG NA NA +HMDB02193 E,e-Carotene-3,3'-dione C40H52O2 564.396729 NA HMDB2010 NA NA +HMDB03154 Canthaxanthin C40H52O2 564.396729 NA HMDB2010 NA NA +HMDB03154 Canthaxanthin C40H52O2 564.39673 http://www.hmdb.ca/metabolites/HMDB03154 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02193 e,e-Carotene-3,3'-dione C40H52O2 564.39673 http://www.hmdb.ca/metabolites/HMDB02193 HMDB NA NA +HMDB03154 Canthaxanthin C40H52O2 564.39673 http://www.hmdb.ca/metabolites/HMDB03154 HMDB NA NA +MJ081405 3,4-Didehydro-?,?-caroten-2-one; 2'-Hydroxy C40H52O2 564.39673 NA MeJP NA NA +MJ081406 3-Hydroxy-2,3-didehydro-?,?-caroten-4-one C40H52O2 564.39673 NA MeJP NA NA +MJ081407 3-Hydroxy-?,?-caroten-4-one; 3',4'-Didehydro C40H52O2 564.39673 NA MeJP NA NA +MJ081408 ?,?-Carotene-2,2'-dione C40H52O2 564.39673 NA MeJP NA NA +MJ081409 ?,?-Carotene-4,4'-dione C40H52O2 564.39673 NA MeJP NA NA +MJ081410 Eschscholtzxanthin; Monoketone C40H52O2 564.39673 NA MeJP NA NA +MJ081411 Isozeaxanthin; Diketone C40H52O2 564.39673 NA MeJP NA NA +MJ081412 Pectenoxanthin C40H52O2 564.39673 NA MeJP NA NA +MJ081413 Torularhodin C40H52O2 564.39673 NA MeJP NA NA +MJ081414 ?,?-Carotene-3,3'-dione C40H52O2 564.39673 NA MeJP NA NA +HMDB03154 Canthaxanthin C40H52O2 564.39673 http://www.hmdb.ca/metabolites/HMDB03154 PFEM_hmdb_metabocards_blood NA blood +HMDB02193 e,e-Carotene-3,3'-dione C40H52O2 564.39673 HMDB02193 PFEM_hmdb_metabocards_official NA NA +HMDB03154 Canthaxanthin C40H52O2 564.39673 HMDB03154 PFEM_hmdb_metabocards_official NA NA +MJ081415 Secamine; 15,15',20,20'-Tetrahydro, bis(demethoxycarbonyl) C38H52N4 564.419197 NA MeJP NA NA +HMDB11661 2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinol C38H60O3 564.454224 NA HMDB2010 NA NA +MJ081416 Annotemoyin 1 C35H64O5 564.475375 NA MeJP NA NA +MJ081417 Panatellin C35H64O5 564.475375 NA MeJP NA NA +MJ081418 Solamin C35H64O5 564.475375 NA MeJP NA NA +HMDB05221 DG(16:1(9Z)/16:1(9Z)/0:0) C35H64O5 564.4754 http://www.hmdb.ca/metabolites/HMDB05221 HMDB NA NA +HMDB05221 DG(16:1(9Z)/16:1(9Z)/0:0) C35H64O5 564.4754 HMDB05221 PFEM_hmdb_metabocards_official NA NA +HMDB07016 DG(14:0/18:2(9Z,12Z)/0:0) C35H64O5 564.475403 NA HMDB2010 NA NA +HMDB07043 DG(14:1(9Z)/18:1(11Z)/0:0) C35H64O5 564.475403 NA HMDB2010 NA NA +HMDB07044 DG(14:1(9Z)/18:1(9Z)/0:0) C35H64O5 564.475403 NA HMDB2010 NA NA +HMDB07128 DG(16:1(9Z)/16:1(9Z)/0:0) C35H64O5 564.475403 NA HMDB2010 NA NA +HMDB07183 DG(18:1(11Z)/14:1(9Z)/0:0) C35H64O5 564.475403 NA HMDB2010 NA NA +HMDB07212 DG(18:1(9Z)/14:1(9Z)/0:0) C35H64O5 564.475403 NA HMDB2010 NA NA +HMDB07240 DG(18:2(9Z,12Z)/14:0/0:0) C35H64O5 564.475403 NA HMDB2010 NA NA +MJ081419 34-Phenyl-5,32-tetratriacontadienal C40H68O 564.527016 NA MeJP NA NA +MJ081420 2,4,6,8-Tetramethyltetratriacontanoic acid C38H76O2 564.584531 NA MeJP NA NA +MJ081421 34-Hydroxy-8-methyl-5-heptatriacontanone C38H76O2 564.584531 NA MeJP NA NA +MJ081422 Nortopsentin D C23H17Br2N7O 564.986133 NA MeJP NA NA +HMDB03369 CDP-glucose C15H25N3O16P2 565.070984 NA HMDB2010 NA NA +C00501 CDP-glucose C15H25N3O16P2 565.071 NA KEGG NA NA +C02200 UDP-glucosamine C15H25N3O16P2 565.071 NA KEGG NA NA +C02467 UDP-galactosamine C15H25N3O16P2 565.071 NA KEGG NA NA +C12211 UDP-kanosamine C15H25N3O16P2 565.071 NA KEGG NA NA +MJ081423 CDPglucose C15H25N3O16P2 565.071004 NA MeJP NA NA +MetaCyc03869 CDP-D-glucose [CDP-glc;CDP-glucose;] C15H25N3O16P2 565.071005 NA metacyc NA NA +C11583 4-Glutathionyl cyclophosphamide C17H30Cl2N5O8PS 565.093 NA KEGG NA NA +MJ081424 4,14-Dihydroxyoctadecanoic acid; 14-O-Diglucoside, Et ester C32H21O10 565.113471 NA MeJP NA NA +C13524 Prochlorperazine mesylate C20H24ClN3S 565.1142 NA KEGG NA NA +C13525 Transferred to D02023 C20H24ClN3S 565.1142 NA KEGG NA NA +FL7AACGL0027 Cyanidin 3-(6''-malylglucoside) C25H25O15 565.11934 104934-16-9 knapsack NA NA +FL7AAHGL0010 Petunidin 3-(6''-malonylglucoside) C25H25O15 565.11934 122856-10-4 knapsack NA NA +C06779 11-O-Demethyl-7-methoxypradimicinone II C28H23NO12 565.122 NA KEGG NA NA +C06780 Pradimicinone II C28H23NO12 565.122 NA KEGG NA NA +MJ081425 Benanomicin A; Aglycone, 7-hydroxy C28H23NO12 565.122025 NA MeJP NA NA +MJ081426 Scriptene C20H24N9O9P 565.143459 NA MeJP NA NA +PJ005693 TCCCH C19H31N7O7S3 565.1447 NA PeJP NA NA +PJ005694 SDDDD C19H27N5O15 565.1504 NA PeJP NA NA +PJ005695 PCCDE C20H31N5O10S2 565.1513 NA PeJP NA NA +FL7AAAGA0002 Pelargonidin 3-lathyroside C26H29O14 565.15573 345306-89-0 knapsack NA NA +FL7AAAGL0003 Pelargonidin 3-sambubioside C26H29O14 565.15573 - knapsack NA NA +C07029 N-Acetyl-N6,O-didemethylpuromycin-5'-phosphate C22H28N7O9P 565.1686 NA KEGG NA NA +MJ081427 N-Acetyl-N6,O-didemethylpuromycin-5'-phosphate C22H28N7O9P 565.168612 NA MeJP NA NA +PJ005696 GDDEM C20H31N5O12S 565.169 NA PeJP NA NA +MJ081428 Carbonarin C C33H27NO8 565.173666 NA MeJP NA NA +MJ081429 Carbonarin D C33H27NO8 565.173666 NA MeJP NA NA +PJ005697 GCCHF C23H31N7O6S2 565.1777 NA PeJP NA NA +PJ005698 SCNNE C19H31N7O11S 565.1802 NA PeJP NA NA +PJ005699 GGSCNE C19H31N7O11S 565.1803 NA PeJP NA NA +PJ005700 DDMW C24H31N5O9S 565.1843 NA PeJP NA NA +PJ005701 SSDEE C20H31N5O14 565.1868 NA PeJP NA NA +PJ005702 SPCEM C21H35N5O9S2 565.1876 NA PeJP NA NA +MJ081430 Antibiotic A 51493A C30H31NO10 565.194796 NA MeJP NA NA +MJ081431 Viridicatumtoxin C30H31NO10 565.194796 NA MeJP NA NA +PJ005703 GSCNW C23H31N7O8S 565.1955 NA PeJP NA NA +PJ005704 GSSSND C19H31N7O13 565.198 NA PeJP NA NA +PJ005705 GNNMM C20H35N7O8S2 565.1989 NA PeJP NA NA +PJ005706 GPDDY C24H31N5O11 565.202 NA PeJP NA NA +MJ081432 Aureonuclemycin; O9-Me, O4-(2-hydroxymethyl-2E-pentenoyl), Me ester C24H31N5O11 565.202006 NA MeJP NA NA +PJ005707 PPCCF C25H35N5O6S2 565.2029 NA PeJP NA NA +PJ005708 GTEEM C21H35N5O11S 565.2054 NA PeJP NA NA +PJ005709 GPMMM C22H39N5O6S3 565.2063 NA PeJP NA NA +MJ081433 Dioxinoacrimarine A C34H31NO7 565.210052 NA MeJP NA NA +PJ005710 GCCQR C19H35N9O7S2 565.2101 NA PeJP NA NA +PJ005711 GNNDF C23H31N7O10 565.2133 NA PeJP NA NA +C09464 Ipecoside C27H35NO12 565.2159 NA KEGG NA NA +MJ081434 Ipecosidic acid; Me ester C27H35NO12 565.215925 NA MeJP NA NA +MJ081435 Neoipecoside C27H35NO12 565.215925 NA MeJP NA NA +PJ005712 SSNQM C20H35N7O10S 565.2166 NA PeJP NA NA +PJ005713 TEMW C25H35N5O8S 565.2207 NA PeJP NA NA +PJ005714 TTTDE C21H35N5O13 565.2231 NA PeJP NA NA +PJ005715 STTEE C21H35N5O13 565.2232 NA PeJP NA NA +PJ005716 GVEMM C22H39N5O8S2 565.224 NA PeJP NA NA +MJ081436 Cicortonide C29H37ClFNO7 565.224258 NA MeJP NA NA +PJ005717 GSEHH C22H31N9O9 565.2245 NA PeJP NA NA +PJ005718 SSCNR C19H35N9O9S 565.2279 NA PeJP NA NA +MJ081437 Ravidomycin; 1'',2''-Dihydro C31H35NO9 565.231181 NA MeJP NA NA +PJ005719 GSSSTQ C20H35N7O12 565.2344 NA PeJP NA NA +PJ005720 EMMR C21H39N7O7S2 565.2353 NA PeJP NA NA +PJ005721 GPTEY C25H35N5O10 565.2384 NA PeJP NA NA +PJ005722 VMMW C26H39N5O5S2 565.2393 NA PeJP NA NA +PJ005723 SHHW C26H31N9O6 565.2398 NA PeJP NA NA +3082 hemorphin-4 YPWT 565.241 celiac toxic Inhouse_peptide NA peptide +PJ005724 SSLEM C22H39N5O10S 565.2418 NA PeJP NA NA +PJ005725 AAMHH C23H35N9O6S 565.2431 NA PeJP NA NA +PJ005726 GCCKR C20H39N9O6S2 565.2465 NA PeJP NA NA +2714 erythromycin inhibitor MSMVV 565.2488 NA Inhouse_peptide NA peptide +PJ005727 QQQY C24H35N7O9 565.2496 NA PeJP NA NA +PJ005728 GGAAQY C24H35N7O9 565.2497 NA PeJP NA NA +7372 celiac sprue gluten epitope found in hordein PQQQFPQQM 565.2512 MH2+ Inhouse_peptide NA peptide +PJ005729 SSNKM C21H39N7O9S 565.253 NA PeJP NA NA +PJ005730 PTYW C29H35N5O7 565.2537 NA PeJP NA NA +MJ081438 Geodiamolide L; Chloro analogue C28H40ClN3O7 565.255478 NA MeJP NA NA +PJ005731 GPVMY C26H39N5O7S 565.257 NA PeJP NA NA +PJ005732 ATLMM C23H43N5O7S2 565.2604 NA PeJP NA NA +PJ005733 NNRY C23H35N9O8 565.2609 NA PeJP NA NA +MJ081439 Himandridine; O13-Ac C32H39NO8 565.267567 NA MeJP NA NA +MJ081440 Himandridine; O20-Ac C32H39NO8 565.267567 NA MeJP NA NA +PJ005734 PMRY C25H39N7O6S 565.2683 NA PeJP NA NA +C15719 Coelichelin C21H39N7O11 565.2708 NA KEGG NA NA +PJ005735 GSSSTK C21H39N7O11 565.2708 NA PeJP NA NA +PJ005736 GCKKM C22H43N7O6S2 565.2716 NA PeJP NA NA +PJ005737 AALEY C26H39N5O9 565.2748 NA PeJP NA NA +PJ005738 TTTLM C23H43N5O9S 565.2782 NA PeJP NA NA +PJ005739 VERY C25H39N7O8 565.286 NA PeJP NA NA +PJ005740 STCKK C22H43N7O8S 565.2894 NA PeJP NA NA +PJ005741 TLFW C30H39N5O6 565.29 NA PeJP NA NA +PJ005742 VVYW C30H39N5O6 565.2901 NA PeJP NA NA +PJ005743 GVLMF C27H43N5O6S 565.2934 NA PeJP NA NA +MJ081441 Rodaplutin C24H39N9O7 565.297244 NA MeJP NA NA +PJ005744 GPQKH C24H39N9O7 565.2973 NA PeJP NA NA +PJ005745 PFFR C29H39N7O5 565.3013 NA PeJP NA NA +PJ005746 LMFR C26H43N7O5S 565.3047 NA PeJP NA NA +PJ005747 GTLLY C27H43N5O8 565.3112 NA PeJP NA NA +EUR680 Lyso PC 20:4 [M+Na]+ C28H50NO7P 565.314438 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR680 Lyso PC 20:4 [M+Na]+ C28H50NO7P 565.314438 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR680 Lyso PC 20:4 [M+Na]+ C28H50NO7P 565.314438 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR680 Lyso PC 20:4 [M+Na]+ C28H50NO7P 565.314438 masses lipides attendues Inhousejuil11 NA NA +MJ081442 Antibiotic FR 900848 C32H43N3O6 565.315186 NA MeJP NA NA +PJ005748 QKKY C26H43N7O7 565.3224 NA PeJP NA NA +PJ005749 GPKKH C25H43N9O6 565.3337 NA PeJP NA NA +EUR574 LysoPC(18:2) [M+FA-H]- 565.337325 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR574 LysoPC(18:2) [M+FA-H]- 565.337325 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR574 LysoPC(18:2) [M+FA-H]- 565.337325 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR574 LysoPC(18:2) [M+FA-H]- 565.337325 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR574 LysoPC(18:2) [M+FA-H]- 565.337325 identifiés dans sérum NuGO HMDB NA NA +EUR574 LysoPC(18:2) [M+FA-H]- 565.337325 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR574 LysoPC(18:2) [M+FA-H]- 565.337325 identifies dans serum NuGO Inhousejuil11 NA NA +EUR574 LysoPC(18:2) [M+FA-H]- 565.337325 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR574 LysoPC(18:2) [M+FA-H]- 565.337325 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR662 Lyso PC 18:2 [M+FA-H]- C26H50NO7P 565.337372 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR662 Lyso PC 18:2 [M+FA-H]- C26H50NO7P 565.337372 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR662 Lyso PC 18:2 [M+FA-H]- C26H50NO7P 565.337372 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR662 Lyso PC 18:2 [M+FA-H]- C26H50NO7P 565.337372 masses lipides attendues Inhousejuil11 NA NA +EUR718 LysoPE(20:2) [M-H+acetate]- C25H48NO7P 565.337942 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR873 Lyso PE 20:2 [M-H+acetate]- C25H48NO7P 565.337942 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR718 LysoPE(20:2) [M-H+acetate]- C25H48NO7P 565.337942 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR873 Lyso PE 20:2 [M-H+acetate]- C25H48NO7P 565.337942 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR718 LysoPE(20:2) [M-H+acetate]- C25H48NO7P 565.337942 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR873 Lyso PE 20:2 [M-H+acetate]- C25H48NO7P 565.337942 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR718 LysoPE(20:2) [M-H+acetate]- C25H48NO7P 565.337942 masses lipides attendues Inhousejuil11 NA NA +EUR873 Lyso PE 20:2 [M-H+acetate]- C25H48NO7P 565.337942 masses lipides attendues Inhousejuil11 NA NA +MJ081443 Strychnophylline C35H43N5O2 565.341675 NA MeJP NA NA +MJ081444 Destruxin A3 C28H47N5O7 565.347548 NA MeJP NA NA +MJ081445 Destruxin B; Destruxin B, NVal,NAla-Di-de-Me C28H47N5O7 565.347548 NA MeJP NA NA +MJ081446 Destruxin B; Destruxin B2, NVal-De-Me C28H47N5O7 565.347548 NA MeJP NA NA +MJ081447 Nephila clavata Neurotoxin 3 JSTX-3 C27H47N7O6 565.358782 NA MeJP NA NA +C13931 JSTX-3 C27H47N7O6 565.3588 NA KEGG NA NA +PJ005750 KKKY C27H47N7O6 565.3588 NA PeJP NA NA +MJ081448 Repromicin C31H51NO8 565.361467 NA MeJP NA NA +MJ081449 Cytosine arabinoside; ?-D-Furanose-form, N-Docosanoyl C31H55N3O6 565.409086 NA MeJP NA NA +EUR771 Lyso PC 22:0 [M-H-CH3]- C30H62NO7P 565.410742 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR771 Lyso PC 22:0 [M-H-CH3]- C30H62NO7P 565.410742 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR771 Lyso PC 22:0 [M-H-CH3]- C30H62NO7P 565.410742 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR771 Lyso PC 22:0 [M-H-CH3]- C30H62NO7P 565.410742 masses lipides attendues Inhousejuil11 NA NA +HMDB11497 LysoPE(0:0/24:0) C29H60NO7P 565.410767 NA HMDB2010 NA NA +HMDB11527 LysoPE(24:0/0:0) C29H60NO7P 565.410767 NA HMDB2010 NA NA +MJ081450 5-(2,3-Epoxy-3-methylbutyl)-3-[2-hydroxy-1-(hydroxymethyl)-2-methylpropyl]-1H-indole, 5'-(9,12-Octadecadienoyl)(Z,Z-) C36H55NO4 565.413109 NA MeJP NA NA +MJ081451 Heinsiagenin A C36H55NO4 565.413109 NA MeJP NA NA +MJ081452 Heinsiagenin B C36H55NO4 565.413109 NA MeJP NA NA +MJ081453 Viscumamide C30H55N5O5 565.420319 NA MeJP NA NA +MJ081454 N-[15-Methyl-3-(13-methyl-4-tetradecenoyloxy)hexadecanoyl]glycine C34H63NO5 565.470624 NA MeJP NA NA +MJ081455 2-Amino-4-octadecene-1,3-diol, N-Octadecanoyl C36H71NO3 565.543395 NA MeJP NA NA +HMDB00829 N-Stearoylsphingosine C36H71NO3 565.543396 NA HMDB2010 NA NA +HMDB04950 Ceramide (d18:1/18:0) C36H71NO3 565.543396 NA HMDB2010 NA NA +HMDB11762 Cer(d18:0/18:1(11Z)) C36H71NO3 565.543396 NA HMDB2010 NA NA +HMDB11763 Cer(d18:0/18:1(9Z)) C36H71NO3 565.543396 NA HMDB2010 NA NA +HMDB00829 N-Stearoylsphingosine C36H71NO3 565.5434 http://www.hmdb.ca/metabolites/HMDB00829 HMDB NA NA +HMDB04950 Ceramide (d18:1/18:0) C36H71NO3 565.5434 http://www.hmdb.ca/metabolites/HMDB04950 HMDB NA NA +HMDB00829 N-Stearoylsphingosine C36H71NO3 565.5434 HMDB00829 PFEM_hmdb_metabocards_official NA NA +HMDB04950 Ceramide (d18:1/18:0) C36H71NO3 565.5434 HMDB04950 PFEM_hmdb_metabocards_official NA NA +7383 celiac sprue gluten epitope found in hordein QQPFPQQPY 565.7595 MH2+ Inhouse_peptide NA peptide +7409 celiac sprue gluten epitope found in secalin QQPYPQQPF 565.7595 MH2+ Inhouse_peptide NA peptide +MJ081456 Brovanexine C24H28Br2N2O4 566.041582 NA MeJP NA NA +MJ081457 N-[2-[3,5-Dibromo-4-[3-[(3-methyl-1-oxo-2-butenyl)amino]propoxy]phenyl]ethyl]-4-hydroxybenzeneacetamide C24H28Br2N2O4 566.041582 NA MeJP NA NA +HMDB00286 Uridine diphosphate glucose C15H24N2O17P2 566.05499 http://www.hmdb.ca/metabolites/HMDB00286 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00286 Uridine diphosphate glucose C15H24N2O17P2 566.05499 http://www.hmdb.ca/metabolites/HMDB00286 HMDB NA NA +HMDB00302 Uridine diphosphategalactose C15H24N2O17P2 566.05499 http://www.hmdb.ca/metabolites/HMDB00302 HMDB NA NA +HMDB00286 Uridine diphosphate glucose C15H24N2O17P2 566.05499 http://www.hmdb.ca/metabolites/HMDB00286 PFEM_hmdb_metabocards_blood NA blood +HMDB00286 Uridine diphosphate glucose C15H24N2O17P2 566.05499 HMDB00286 PFEM_hmdb_metabocards_official NA NA +HMDB00302 Uridine diphosphategalactose C15H24N2O17P2 566.05499 HMDB00302 PFEM_hmdb_metabocards_official NA NA +HMDB00286 Uridine diphosphate glucose C15H24N2O17P2 566.054993 NA HMDB2010 NA NA +HMDB00302 Uridine diphosphategalactose C15H24N2O17P2 566.054993 NA HMDB2010 NA NA +C00029 UDP-glucose C15H24N2O17P2 566.055 NA KEGG NA NA +C00030 Reduced acceptor C15H24N2O17P2 566.055 NA KEGG NA NA +C00052 UDP-D-galactose C15H24N2O17P2 566.055 NA KEGG NA NA +C03733 UDP-alpha-D-galacto-1,4-furanose C15H24N2O17P2 566.055 NA KEGG NA NA +MJ081458 Uridine diphosphate glucose C15H24N2O17P2 566.05502 NA MeJP NA NA +MJ081459 UDP-D-galactose C15H24N2O17P2 566.05502 NA MeJP NA NA +MJ081460 UDPglucose C15H24N2O17P2 566.05502 NA MeJP NA NA +MetaCyc03870 UDP-galactose [UDP-D-galactopyranose;UDP-D-galactose;uridine diphosphate galactose;] C15H24N2O17P2 566.05502 2956-16-3 metacyc NA NA +MetaCyc03871 UDP-D-galacto-1,4-furanose [UDP-galactofuranose;] C15H24N2O17P2 566.05502 638-23-3 metacyc NA NA +MetaCyc03872 UDP-D-glucose [UDPG;UDP-glucose;] C15H24N2O17P2 566.05502 133-89-1 metacyc NA NA +MJ081461 Quinuronium(2+); Di(methylsulfate) C23H26N4O9S2 566.114119 NA MeJP NA NA +MJ081462 1,1',8,8'-Tetrahydroxy-3,3'-dimethoxy-6,6'-dimethyl-2,2'-bianthraquinone C32H22O10 566.121296 NA MeJP NA NA +MJ081463 4',4''',5,5'',7,7''-Hexahydroxy-6,6''-biflavone; 7,7''-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081464 6-C-Methylamentoflavone; 7-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081465 8,8-Bi(4',5,7-trihydroxyflavone); 4',4'''-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081466 8,8-Bi(4',5,7-trihydroxyflavone); 7,7''-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081467 Agathisflavone; 4',7''-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081468 Agathisflavone; 7,7''-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081469 Amentoflavone; 4''',7''-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081470 Amentoflavone; 4''',7-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081471 Amentoflavone; 4',4'''-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081472 Amentoflavone; 4',7''-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081473 Amentoflavone; 4',7-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081474 Amentoflavone; 7,7''-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081475 Floribundone 2; 10-Oxo C32H22O10 566.121296 NA MeJP NA NA +MJ081476 Hinokiflavone; 4''',7''-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081477 Hinokiflavone; 7,7''-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081478 Isosengulone C32H22O10 566.121296 NA MeJP NA NA +MJ081479 Ochnaflavone; 4',7-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081480 Robustaflavone; 4''',7''-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081481 Robustaflavone; 4''',7-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081482 Robustaflavone; 7,7''-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +MJ081483 Sengulone C32H22O10 566.121296 NA MeJP NA NA +MJ081484 Taiwaniaflavone; 4',7''-Di-Me ether C32H22O10 566.121296 NA MeJP NA NA +C10048 Ginkgetin C32H22O10 566.1213 NA KEGG NA NA +MJ081485 3',4',5,6,7-Pentahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?2)-?-D-xylopyranoside] C25H26O15 566.12717 NA MeJP NA NA +MJ081486 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)-?-D-xylopyranoside] C25H26O15 566.12717 NA MeJP NA NA +MJ081487 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)-?-L-arabinopyranoside] C25H26O15 566.12717 NA MeJP NA NA +MJ081488 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-arabinofuranoside] C25H26O15 566.12717 NA MeJP NA NA +MJ081489 3,3',4',5,7-Pentahydroxyflavone; 3-O-[Arabinosyl-(1??)-D-xyloside] C25H26O15 566.12717 NA MeJP NA NA +MJ081490 3,3',4',5,7-Pentahydroxyflavone; 3-O-[Arabinosyl-(1??)-arabinoside] C25H26O15 566.12717 NA MeJP NA NA +MJ081491 3,3',4',5,7-Pentahydroxyflavone; 3-O-[Xylosyl-(1??)-xyloside] C25H26O15 566.12717 NA MeJP NA NA +MJ081492 3,4',5,7,8-Pentahydroxyflavone; 4',8-Di-O-?-D-xylopyranoside C25H26O15 566.12717 NA MeJP NA NA +MJ081493 3,4',5,7,8-Pentahydroxyflavone; 4'-O-?-D-Xylopyranoside, 8-O-?-L-arabinopyranoside C25H26O15 566.12717 NA MeJP NA NA +MJ081494 6,8-Diarabinopyranosyl-3',4',5,5',7-pentahydroxyflavone C25H26O15 566.12717 NA MeJP NA NA +FL3FAGCS0006 6,8-Di-C-arabinopyranosyltricetin C25H26O15 566.12717 152128-81-9 knapsack NA NA +FL3FECGS0043 6-Hydroxyluteolin 7-xylosyl-(1->2)-xyloside;2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-[(2-O-beta-D-xylopyranosyl-beta-D-xylopyranosyl)oxy]-4H-1-benzopyran-4-one C25H26O15 566.12717 259257-39-1 knapsack NA NA +FL5FACGS0020 Quercetin 3-apiosyl-(1->2)-alpha-L-arabinopyranoside C25H26O15 566.12717 99816-60-1 knapsack NA NA +FL5FACGS0021 Quercetin 3-xylosyl-(1->2)-alpha-L-arabinofuranoside C25H26O15 566.12717 112693-20-6 knapsack NA NA +FL5FACGS0023 Quercetin 3-apiosyl-(1->2)-xyloside C25H26O15 566.12717 99883-41-7 knapsack NA NA +FL5FFAGS0015 Herbacetin 8-alpha-L-arabinopyranoside-4'-xyloside C25H26O15 566.12717 72055-94-8 knapsack NA NA +FL5FFAGS0016 Herbacetin 8,4'-dixyloside C25H26O15 566.12717 90193-30-9 knapsack NA NA +FL2FAAGC0001 Poriolide C29H26O12 566.14242 39262-30-1 knapsack NA NA +FL2FAAGC0002 Isoporiolide C29H26O12 566.14242 39262-31-2 knapsack NA NA +MJ081495 Poriolide C29H26O12 566.142426 NA MeJP NA NA +MJ081496 ?-Rhamnoisorobin; 2''-O-(2-Methoxybenzoyl) C29H26O12 566.142426 NA MeJP NA NA +MJ081497 ?-Rhamnoisorobin; 3''-O-(2-Methoxybenzoyl) C29H26O12 566.142426 NA MeJP NA NA +C13725 Patent blue C27H31N2O6S2 566.1521 NA KEGG NA NA +C13726 Pentosan sulfate C27H31N2O6S2 566.1521 NA KEGG NA NA +MJ081498 Kinamycin F; 3-O-(2-Methylpropanoyl), 1,2,4-tri-Ac C28H26N2O11 566.153659 NA MeJP NA NA +MJ081499 Carbonarin A; 5'-Deoxy C33H26O9 566.157682 NA MeJP NA NA +PJ005751 CCNNN C18H30N8O9S2 566.1577 NA PeJP NA NA +PJ005752 GGGGCCN C18H30N8O9S2 566.1578 NA PeJP NA NA +FL1C1CGS0003 Butein 4'-arabinosyl-(1->4)-galactoside C26H30O14 566.16355 71926-06-2 knapsack NA NA +FL2FAAGS0015 5,7,4'-Trihydroxyflavanone 7-O-arabinosylglucoside C26H30O14 566.16355 86828-01-5 knapsack NA NA +FL2FAAGS0018 5,7,4'-Trihydroxyflavonone 4'-O-xylosylglucoside C26H30O14 566.16355 74545-39-4 knapsack NA NA +FL2FBCGS0001 Eriodictyol 5-methyl ether 7-O-xylosyl-(1->4)-arabinoside C26H30O14 566.16355 81074-96-6 knapsack NA NA +FL5FELGS0002 5,5'-Dihydroxy-3,6,7,2',4'-pentamethoxyflavone 5'-glucoside C26H30O14 566.16355 71827-13-9 knapsack NA NA +FL5FELGS0003 Chrysosplenoside H;Brickellin 2'-glucoside;5,2'-Dihydroxy-3,6,7,4',5'-pentamethoxyflavone 2'-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-4,5-dimethoxyphenyl]-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one C26H30O14 566.16355 86880-87-7 knapsack NA NA +MJ081500 1,3,5-Trihydroxyxanthone; 3,5-Di-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C26H30O14 566.163555 NA MeJP NA NA +MJ081501 10-Hydroxyoleoside, 10-(4-Hydroxycinnamoyl)(E-), 7-Me ester C26H30O14 566.163555 NA MeJP NA NA +MJ081502 10-Hydroxyoleoside, 10-(4-Hydroxycinnamoyl)(Z-), 7-Me ester C26H30O14 566.163555 NA MeJP NA NA +MJ081503 2',3,4',5,5',6,7-Heptahydroxyflavone; 2',3,4',6,7-Penta-Me ether, 5'-O-?-D-glucopyranoside C26H30O14 566.163555 NA MeJP NA NA +MJ081504 2',3,4',5,5',6,7-Heptahydroxyflavone; 3,4',5',6,7-Penta-Me ether, 2'-O-?-D-glucopyranoside C26H30O14 566.163555 NA MeJP NA NA +MJ081505 4',5,7-Trihydroxyflavanone, 4'-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] C26H30O14 566.163555 NA MeJP NA NA +MJ081506 4',5,7-Trihydroxyflavanone, 4'-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] C26H30O14 566.163555 NA MeJP NA NA +MJ081507 4',5,7-Trihydroxyflavanone, 4'-O-[?-D-Xylopyranosyl-(1??)-?-D-glucopyranoside] C26H30O14 566.163555 NA MeJP NA NA +MJ081508 4',5,7-Trihydroxyflavanone, 7-O-[-?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C26H30O14 566.163555 NA MeJP NA NA +MJ081509 4',5,7-Trihydroxyflavanone, 7-O-[?-L-Arabinosyl-(1??)-?-D-glucopyranoside] C26H30O14 566.163555 NA MeJP NA NA +MJ081510 5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 8-Me ether, 6-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C26H30O14 566.163555 NA MeJP NA NA +MJ081511 Asperxanthone; 10-O-De-Me, 10-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C26H30O14 566.163555 NA MeJP NA NA +MJ081512 Castavinol; 5'-Hydroxy C26H30O14 566.163555 NA MeJP NA NA +MJ081513 Eustomoside; 4'-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) C26H30O14 566.163555 NA MeJP NA NA +PJ005753 SCNDE C19H30N6O12S 566.1643 NA PeJP NA NA +PJ005754 PCCNM C20H34N6O7S3 566.1651 NA PeJP NA NA +CJpos0821 Phenylacetylglutamine [(2M+K)]+ C26H32KN4O8 566.177375 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0821 Phenylacetylglutamine [(2M+K)]+ C26H32KN4O8 566.177375 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ081514 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 4'-Me ether, 3'-O-[4-hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C30H30O11 566.178811 NA MeJP NA NA +MJ081515 4,5-Dihydro-6-hydroxy-3-(hydroxyphenylmethyl)-2(6H)-benzofuranone; 6-O-[4-O-(4-Hydroxycinnamoyl)-?-D-glucopyranoside](E-) C30H30O11 566.178811 NA MeJP NA NA +MJ081516 Ascochrome C30H30O11 566.178811 NA MeJP NA NA +PJ005755 GSCDW C23H30N6O9S 566.1795 NA PeJP NA NA +PJ005756 GSSSDD C19H30N6O14 566.182 NA PeJP NA NA +PJ005757 GNDMM C20H34N6O9S2 566.1829 NA PeJP NA NA +MJ081517 Monomelittoside; 5-O-?-D-Glucopyranoside, 6-Ac C23H34O16 566.184685 NA MeJP NA NA +MJ081518 Oleoside; 7-?-D-Glucopyranosyl ester, 11-Me ester C23H34O16 566.184685 NA MeJP NA NA +MJ081519 Theveside; 6'-O-?-D-Glucopyranoside, Me ester C23H34O16 566.184685 NA MeJP NA NA +MJ081520 Theveside; Me ester, 10-O-?-D-fructofuranoside C23H34O16 566.184685 NA MeJP NA NA +MJ081521 Theveside; Me ester, 10-O-?-D-glucopyranoside C23H34O16 566.184685 NA MeJP NA NA +MJ081522 Theveside; Me ester, 3'-O-?-D-glucopyranoside C23H34O16 566.184685 NA MeJP NA NA +MJ081523 AH10 C34H30O8 566.194067 NA MeJP NA NA +MJ081524 AH13 C34H30O8 566.194067 NA MeJP NA NA +MJ081525 Alopecurone F; 2'-Deoxy C34H30O8 566.194067 NA MeJP NA NA +MJ081526 Crinemodin bianthrone C34H30O8 566.194067 NA MeJP NA NA +MJ081527 Emodinbianthrone; 2,2',4,4'-Tetra-Me ether C34H30O8 566.194067 NA MeJP NA NA +PJ005758 GCCER C19H34N8O8S2 566.1941 NA PeJP NA NA +PJ005759 GNDDF C23H30N6O11 566.1973 NA PeJP NA NA +PJ005760 CQMW C24H34N6O6S2 566.1981 NA PeJP NA NA +MJ081528 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 4'-Me ether, 3''-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H34O13 566.199941 NA MeJP NA NA +MJ081529 6-Hydroxyloganin; 6'-(4-Methoxycinnamoyl) C27H34O13 566.199941 NA MeJP NA NA +MJ081530 6-Hydroxyloganin; 7-O-(4-Methoxycinnamoyl) C27H34O13 566.199941 NA MeJP NA NA +MJ081531 8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Diacetoxy-2-methylbutanoyl), 9-Ac, Me ester C27H34O13 566.199941 NA MeJP NA NA +MJ081532 Fraxiresinol; 8-O-?-D-Glucopyranoside C27H34O13 566.199941 NA MeJP NA NA +MJ081533 Haenkeanoside; 7-Me ether C27H34O13 566.199941 NA MeJP NA NA +MJ081534 Haenkeanoside; Z-isomer, 7-Me ether C27H34O13 566.199941 NA MeJP NA NA +MJ081535 Loganic acid; 2'-(3,4-Dimethoxycinnamoyl)(E-) C27H34O13 566.199941 NA MeJP NA NA +PJ005761 SSNEM C20H34N6O11S 566.2006 NA PeJP NA NA +PJ005762 GGSSEM C20H34N6O11S 566.2007 NA PeJP NA NA +PJ005763 GCNHH C21H30N10O7S 566.202 NA PeJP NA NA +PJ005764 CCRW C23H34N8O5S2 566.2094 NA PeJP NA NA +PJ005765 SSCDR C19H34N8O10S 566.2119 NA PeJP NA NA +MJ081536 3,3',4,4',5,9-Hexahydroxy-7,9'-epoxylignan, 3,3',5-Tri-Me ether, 9-O-(4-hydroxy-3-methoxycinnamoyl) C31H34O10 566.215197 NA MeJP NA NA +MJ081537 Antibiotic BA 12100MY1; 6-Deoxy, 3'-O-(2,3-dideoxy-?-D-rhamnopyranoside) C31H34O10 566.215197 NA MeJP NA NA +MJ081538 Hedyotol A; 5-Methoxy C31H34O10 566.215197 NA MeJP NA NA +MJ081539 Lappaol B; 2?-Hydroxy C31H34O10 566.215197 NA MeJP NA NA +MJ081540 Thielavin B C31H34O10 566.215197 NA MeJP NA NA +C12405 100-1 C31H34O10 566.2152 NA KEGG NA NA +PJ005766 GSSMW C24H34N6O8S 566.2159 NA PeJP NA NA +PJ005767 GSSSTE C20H34N6O13 566.2184 NA PeJP NA NA +PJ005768 GTQMM C21H38N6O8S2 566.2193 NA PeJP NA NA +MJ081541 Meclorisone; 17,21-Dibutanoyl C30H40Cl2O6 566.220194 NA MeJP NA NA +MJ081542 Renieramycin A C30H34N2O9 566.22643 NA MeJP NA NA +PJ005769 PPCNH C23H34N8O7S 566.2271 NA PeJP NA NA +PJ005770 GGPPCH C23H34N8O7S 566.2272 NA PeJP NA NA +MJ081543 Calyxin B; 4'-Deoxy C35H34O7 566.230453 NA MeJP NA NA +MJ081544 Iryantherin D; 5-Me ether C35H34O7 566.230453 NA MeJP NA NA +PJ005771 GTCMR C20H38N8O7S2 566.2305 NA PeJP NA NA +PJ005772 SSSTW C24H34N6O10 566.2337 NA PeJP NA NA +PJ005773 CKMW C25H38N6O5S2 566.2345 NA PeJP NA NA +MJ081545 12,17-Epoxy-2,5,7,9,10,11-hexahydroxy-4(20)-taxen-13-one; 2,7,9,10-Tetra-Ac C28H38O12 566.236326 NA MeJP NA NA +MJ081546 15,16:18,19-Diepoxy-6,18-dihydroxy-13(16),14-clerodadien-20,12-olide, 18-O-?-D-Glucopyranoside, 16-Ac C28H38O12 566.236326 NA MeJP NA NA +MJ081547 2,4,8,9,14-Pentahydroxy-5,11(20)-briaradien-18,7-olide; 11?,20-Epoxide, 2,4,9,14-tetra-Ac C28H38O12 566.236326 NA MeJP NA NA +MJ081548 2,4,8,9,14-Pentahydroxy-5,11-briaradien-18,7-olide, 11?,12?-Epoxide, 2,4,9,14-tetra-Ac C28H38O12 566.236326 NA MeJP NA NA +MJ081549 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-?-L-rhamnopyranoside C28H38O12 566.236326 NA MeJP NA NA +MJ081550 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9-O-?-L-rhamnopyranoside C28H38O12 566.236326 NA MeJP NA NA +MJ081551 6,20:7,8:17,18-Triepoxy-10(17),13-xenicadiene-1,11,12,18,19-pentol; 11,12,18,19-Tetra-Ac C28H38O12 566.236326 NA MeJP NA NA +MJ081552 8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 2,3,9,14-Tetra-Ac C28H38O12 566.236326 NA MeJP NA NA +MJ081553 8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl), 9-(3-hydroxy-3-methylbutanoyl), Me ester C28H38O12 566.236326 NA MeJP NA NA +MJ081554 Bruceanic acid A; Me ester C28H38O12 566.236326 NA MeJP NA NA +MJ081555 Isoligustrosidic acid; Butyl ester C28H38O12 566.236326 NA MeJP NA NA +PJ005774 SSDKM C21H38N6O10S 566.237 NA PeJP NA NA +MJ081556 Daphnoline; N-De-Me C34H34N2O6 566.241686 NA MeJP NA NA +MJ081557 Digracine C34H34N2O6 566.241686 NA MeJP NA NA +MJ081558 Obamegine; Di-N-de-Me C34H34N2O6 566.241686 NA MeJP NA NA +MJ081559 Pangkoramine C34H34N2O6 566.241686 NA MeJP NA NA +PJ005775 NDRY C23H34N8O9 566.2449 NA PeJP NA NA +PJ005776 HHHH C24H30N12O5 566.2462 NA PeJP NA NA +PJ005777 SSSMR C20H38N8O9S 566.2483 NA PeJP NA NA +PJ005778 AQYW C28H34N6O7 566.2489 NA PeJP NA NA +PJ005779 GPCKY C25H38N6O7S 566.2523 NA PeJP NA NA +MJ081560 2,3,14,22,25-Pentahydroxycholest-7-en-6-one, 22-Sulfate, Na salt C27H43NaO9S 566.252548 NA MeJP NA NA +MJ081561 Okaramine B C33H34N4O5 566.25292 NA MeJP NA NA +PJ005780 SSSSSL C21H38N6O12 566.2548 NA PeJP NA NA +MJ081562 Daturametelin E C29H42O9S 566.254953 NA MeJP NA NA +PJ005781 GTKMM C22H42N6O7S2 566.2557 NA PeJP NA NA +PJ005782 PQHW C27H34N8O6 566.2601 NA PeJP NA NA +PJ005783 GAPHW C27H34N8O6 566.2602 NA PeJP NA NA +PJ005784 NMFR C24H38N8O6S 566.2635 NA PeJP NA NA +PJ005785 QKEY C25H38N6O9 566.27 NA PeJP NA NA +PJ005786 GAKEY C25H38N6O9 566.2701 NA PeJP NA NA +MJ081563 Virenamide C C34H38N4O2S 566.271547 NA MeJP NA NA +C08847 alpha-Antiarin C29H42O11 566.2727 NA KEGG NA NA +MJ081564 2,3,6,7,11,17-Hexahydroxy-15-kauranone, 17-Me ether, 2,3,6,11-tetra-Ac C29H42O11 566.272712 NA MeJP NA NA +MJ081565 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Glucopyranoside C29H42O11 566.272712 NA MeJP NA NA +MJ081566 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 19-Carboxylic acid, 3-O-?-D-glucopyranoside C29H42O11 566.272712 NA MeJP NA NA +MJ081567 3,5,11,14-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-?-L-talopyranoside) C29H42O11 566.272712 NA MeJP NA NA +MJ081568 3,5,11,14-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Gulomethyloside C29H42O11 566.272712 NA MeJP NA NA +MJ081569 3,5,11,14-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-L-Rhamnopyranoside C29H42O11 566.272712 NA MeJP NA NA +MJ081570 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Allopyranoside C29H42O11 566.272712 NA MeJP NA NA +MJ081571 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Glucofuranoside C29H42O11 566.272712 NA MeJP NA NA +MJ081572 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Glucopyranoside C29H42O11 566.272712 NA MeJP NA NA +MJ081573 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-L-Mannopyranoside C29H42O11 566.272712 NA MeJP NA NA +MJ081574 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-L-Mannopyranoside C29H42O11 566.272712 NA MeJP NA NA +MJ081575 3,5,6,14-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-6-Deoxy-L-taloside C29H42O11 566.272712 NA MeJP NA NA +MJ081576 3,5,6,14-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H42O11 566.272712 NA MeJP NA NA +MJ081577 Antiarigenin; 3-O-(6-Deoxy-?-D-allopyranoside) C29H42O11 566.272712 NA MeJP NA NA +MJ081578 Antiarigenin; 3-O-(6-Deoxy-?-D-gulopyranoside) C29H42O11 566.272712 NA MeJP NA NA +MJ081579 Antiarigenin; 3-O-Rhamnoside C29H42O11 566.272712 NA MeJP NA NA +MJ081580 Ghalakinoside C29H42O11 566.272712 NA MeJP NA NA +PJ005787 STTKM C22H42N6O9S 566.2734 NA PeJP NA NA +MJ081581 Hexahydro-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one C35H38N2O5 566.278072 NA MeJP NA NA +C15662 Dmp 323 C35H38N2O5 566.2781 NA KEGG NA NA +PJ005788 TQRY C24H38N8O8 566.2813 NA PeJP NA NA +PJ005789 AKYW C29H38N6O6 566.2853 NA PeJP NA NA +MJ081582 12-Hydroxyvilasinin; 12-Ketone, 7-tigloyl, 1-Ac C33H42O8 566.287968 NA MeJP NA NA +MJ081583 4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-Cinnamoyl, 10,13-di-Ac C33H42O8 566.287968 NA MeJP NA NA +MJ081584 4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-Cinnamoyl, 9,10-di-Ac C33H42O8 566.287968 NA MeJP NA NA +MJ081585 4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-Cinnamoyl, 9,13-di-Ac C33H42O8 566.287968 NA MeJP NA NA +MJ081586 4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-Cinnamoyl(E-), 10,13-di-Ac C33H42O8 566.287968 NA MeJP NA NA +MJ081587 4,9,13,16,20-Pentahydroxy-1,6-tigliadien-3-one, 16-(2-Methylbutanoyl), 13-(phenylacetyl) C33H42O8 566.287968 NA MeJP NA NA +MJ081588 5,11-Jatrophadiene-3,7,9,14,15-pentol, 15-Deoxy, 14,15-didehydro, 3-benzoyl, 7,9,14-tri-Ac C33H42O8 566.287968 NA MeJP NA NA +MJ081589 Japonicin B C33H42O8 566.287968 NA MeJP NA NA +MJ081590 Sarothralen B C33H42O8 566.287968 NA MeJP NA NA +PJ005790 AAKMF C26H42N6O6S 566.2887 NA PeJP NA NA +MJ081591 Dexamethasone; 21-(3,6,9-Trioxaundecanoyl) C30H43FO9 566.289111 NA MeJP NA NA +HMDB02379 Mesoporphyrin IX C34H38N4O4 566.289307 NA HMDB2010 NA NA +HMDB02379 Mesoporphyrin IX C34H38N4O4 566.28931 http://www.hmdb.ca/metabolites/HMDB02379 HMDB NA NA +HMDB02379 Mesoporphyrin IX C34H38N4O4 566.28931 HMDB02379 PFEM_hmdb_metabocards_official NA NA +PJ005791 GPTHR C23H38N10O7 566.2925 NA PeJP NA NA +PJ005792 PKHW C28H38N8O5 566.2965 NA PeJP NA NA +MJ081592 Hordatine B; O-De-Me C28H38N8O5 566.296516 NA MeJP NA NA +MJ081593 C-Curarine; Di-N-de-Me C38H38N4O 566.304561 NA MeJP NA NA +MJ081594 Longicaudatine Z; 17'-Deoxy, 3',4',5',6',16',17'-hexadehydro C38H39N4O(+) 566.304561 NA MeJP NA NA +PJ005793 KKEY C26H42N6O8 566.3064 NA PeJP NA NA +MJ081595 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(3-O-Methyl-?-D-glucopyranoside) C30H46O10 566.309097 NA MeJP NA NA +MJ081596 3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-D-galactopyranoside) C30H46O10 566.309097 NA MeJP NA NA +MJ081597 4,18:11,16:15,16-Triepoxy-3,6,15,19-clerodanetetrol, 15-Me ether, 3-(2-methylbutanoyl), 6,19-di-Ac C30H46O10 566.309097 NA MeJP NA NA +MJ081598 Hexanorcucurbitacin F; 2-O-?-D-Glucopyranoside C30H46O10 566.309097 NA MeJP NA NA +MJ081599 Hexanorcucurbitacin F; 3-O-?-D-Glucopyranoside C30H46O10 566.309097 NA MeJP NA NA +PJ005794 TKRY C25H42N8O7 566.3177 NA PeJP NA NA +MJ081600 9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12-(2,4,6-Decatrienoyl), 13-(2-methylpropanoyl) C34H46O7 566.324353 NA MeJP NA NA +MJ081601 Milbemycin IV; 27-Oxo, 5-ketone C34H46O7 566.324353 NA MeJP NA NA +MJ081602 Vulgaroside; 25-Cinnamoyl C34H46O7 566.324353 NA MeJP NA NA +MJ081603 Cycloart-24-ene-3,23,28-triol, 28-Carboxylic acid, 3-O-sulfate, 28-Me ester C31H50O7S 566.327724 NA MeJP NA NA +PJ005795 AALHR C24H42N10O6 566.3289 NA PeJP NA NA +MJ081604 Batrachotoxinin A; O20-2-Ethyl-4-methyl-3-pyrrolecarboxylate, O3-Me C33H46N2O6 566.335587 NA MeJP NA NA +PJ005796 VHRR C23H42N12O5 566.3401 NA PeJP NA NA +PJ005797 PPLLQ C27H46N6O7 566.3428 NA PeJP NA NA +MJ081605 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 22-O-(3-Hydroxybutanoyl)(R-) C31H50O9 566.345483 NA MeJP NA NA +MJ081606 5,12,14-Trihydroxy-3-cedren-15-oic acid, 14-Aldehyde, 5-O-(9R,10R,16-trihydroxyhexadecanoyl) C31H50O9 566.345483 NA MeJP NA NA +MJ081607 7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-(3-methyl-2-butenoyl), 2-O-fucopyranoside C31H50O9 566.345483 NA MeJP NA NA +MJ081608 7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-angeloyl, 2-O-L-fucopyranoside C31H50O9 566.345483 NA MeJP NA NA +MJ081609 7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-angeloyl, 2-O-?-L-rhamnopyranoside C31H50O9 566.345483 NA MeJP NA NA +MJ081610 7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-tigloyl, 2-O-fucopyranoside C31H50O9 566.345483 NA MeJP NA NA +MJ081611 Antibiotic FD 895 C31H50O9 566.345483 NA MeJP NA NA +MJ081612 Cholest-7-ene-2,3,5,6,9,11,19-heptol, 11,19-Di-Ac C31H50O9 566.345483 NA MeJP NA NA +MJ081613 Fusicoccin D; 19-Deoxy, O-de-Me C31H50O9 566.345483 NA MeJP NA NA +MJ081614 Fusicoccin D; 3-Epimer, 19-deoxy, O-de-Me C31H50O9 566.345483 NA MeJP NA NA +MJ081615 Sanjoinine G1; Me ether C32H46N4O5 566.34682 NA MeJP NA NA +PJ005798 PPVVR C26H46N8O6 566.3541 NA PeJP NA NA +MJ081616 8-[(2-Oxo-3-piperidinyl)amino]-8-oxooctyl 5,9-anhydro-2,3,8-trideoxy-8-(5-hydroxy-4-methyl-2-hexenyl)-3-methyl-DL-glycero-LD-allo-non-2-enonoate; 4-Deoxy C30H50N2O8 566.356716 NA MeJP NA NA +MJ081617 Manzamine A, 3,4-Dihydro, 2-N-oxide C36H46N4O2 566.362076 NA MeJP NA NA +MJ081618 Manzamine A, 6-Hydroxy, 3,4-dihydro C36H46N4O2 566.362076 NA MeJP NA NA +MJ081619 Manzamine J; N2'-Oxide C36H46N4O2 566.362076 NA MeJP NA NA +EUR409 Zeaxanthine F1 F1 566.362275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR409 Zeaxanthine F1 NA 566.362275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR409 Zeaxanthine F1 F1 566.362275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR409 Zeaxanthine F1 NA 566.362275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR409 Zeaxanthine F1 F1 566.362275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR409 Zeaxanthine F1 NA 566.362275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR409 Zeaxanthine F1 F1 566.362275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR409 Zeaxanthine F1 F1 566.362275 standards wishlist analysés sur QTOF HMDB NA NA +EUR409 Zeaxanthine F1 F1 566.362275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR409 Zeaxanthine F1 NA 566.362275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR409 Zeaxanthine F1 F1 566.362275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR409 Zeaxanthine F1 F1 566.362275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ081620 3,20-Diaminopregnane-2,4-diol, N20,N20-Di-Me, N3-benzoyl, 2,4-di-Ac C34H50N2O5 566.371972 NA MeJP NA NA +PJ005799 PPLLK C28H50N6O6 566.3792 NA PeJP NA NA +EUR412 Luteine F1 C40H56O2 566.407875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR412 Luteine F1 NA 566.407875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR412 Luteine F1 C40H56O2 566.407875 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR412 Luteine F1 NA 566.407875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR412 Luteine F1 C40H56O2 566.407875 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR412 Luteine F1 NA 566.407875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR412 Luteine F1 C40H56O2 566.407875 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR412 Lutéine F1 C40H56O2 566.407875 standards wishlist analysés sur QTOF HMDB NA NA +EUR412 Luteine F1 C40H56O2 566.407875 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR412 Luteine F1 NA 566.407875 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR412 Luteine F1 C40H56O2 566.407875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR412 Luteine F1 C40H56O2 566.407875 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB02020 3'-hydroxy-e,e-caroten-3-one C40H54O2 566.41235 http://www.hmdb.ca/metabolites/HMDB02020 HMDB NA NA +HMDB03448 3-hydroxy-b,e-Caroten-3'-one C40H54O2 566.41235 http://www.hmdb.ca/metabolites/HMDB03448 HMDB NA NA +HMDB02020 3'-hydroxy-e,e-caroten-3-one C40H54O2 566.41235 HMDB02020 PFEM_hmdb_metabocards_official NA NA +HMDB03448 3-hydroxy-b,e-Caroten-3'-one C40H54O2 566.41235 HMDB03448 PFEM_hmdb_metabocards_official NA NA +HMDB02020 3'-hydroxy-e,e-caroten-3-one C40H54O2 566.412354 NA HMDB2010 NA NA +HMDB03448 3-Hydroxy-b,e-caroten-3'-one C40H54O2 566.412354 NA HMDB2010 NA NA +MJ081621 2-Demethylvitamin K2(30) C40H54O2 566.41238 NA MeJP NA NA +MJ081622 3-Hydroxy-?,?-caroten-4-one C40H54O2 566.41238 NA MeJP NA NA +MJ081623 ?,?-Carotene-2,2'-diol, Monoketone C40H54O2 566.41238 NA MeJP NA NA +MJ081624 ?,?-Carotene-3',6'-dione C40H54O2 566.41238 NA MeJP NA NA +MJ081625 Diatoxanthin C40H54O2 566.41238 NA MeJP NA NA +MJ081626 Echinenone; 2-Hydroxy C40H54O2 566.41238 NA MeJP NA NA +MJ081627 Echinenone; 3'-Hydroxy C40H54O2 566.41238 NA MeJP NA NA +MJ081628 Echinenone; 3S-Hydroxy C40H54O2 566.41238 NA MeJP NA NA +MJ081629 Echinenone; 4'-Hydroxy C40H54O2 566.41238 NA MeJP NA NA +MJ081630 Eschscholtzxanthin C40H54O2 566.41238 NA MeJP NA NA +MJ081631 Flexixanthin; 3-Deoxy C40H54O2 566.41238 NA MeJP NA NA +MJ081632 Lutein; 3'-Ketone C40H54O2 566.41238 NA MeJP NA NA +MJ081633 Micromonol; 19'-Aldehyde, 3'-deoxy, 3',4'-didehydro C40H54O2 566.41238 NA MeJP NA NA +MJ081634 Monadoxanthin C40H54O2 566.41238 NA MeJP NA NA +MJ081635 Plectaniaxanthin, 2'-Ketone C40H54O2 566.41238 NA MeJP NA NA +MJ081636 Ternstroemiaxanthin C40H54O2 566.41238 NA MeJP NA NA +MJ081637 Tunaxanthin, Monoketone C40H54O2 566.41238 NA MeJP NA NA +C08593 Eschscholtzxanthin C40H54O2 566.4124 NA KEGG NA NA +C15965 3'-Hydroxyechinenone C40H54O2 566.4124 NA KEGG NA NA +C15966 3-Hydroxyechinenone C40H54O2 566.4124 NA KEGG NA NA +MJ081638 Antibiotic X 14889D C33H58O7 566.418254 NA MeJP NA NA +MJ081639 Griseochelin; 24,25-Didehydro C33H58O7 566.418254 NA MeJP NA NA +MJ081640 3',4'-Didehydro-1',2'-dihydro-?,?-caroten-1'-ol; Me ether C41H58O 566.448766 NA MeJP NA NA +MJ081641 Anhydrorhodovibrin C41H58O 566.448766 NA MeJP NA NA +C15877 Anhydrorhodovibrin C41H58O 566.4488 NA KEGG NA NA +MJ081642 8,13-Epoxy-14,15,16,19-labdanetetrol, 19-Tetradecanoyl C34H62O6 566.454639 NA MeJP NA NA +MJ081643 Giganin; 17-Deoxy, 13,14-dihydro C35H66O5 566.491025 NA MeJP NA NA +HMDB07014 DG(14:0/18:1(11Z)/0:0) C35H66O5 566.491028 NA HMDB2010 NA NA +HMDB07015 DG(14:0/18:1(9Z)/0:0) C35H66O5 566.491028 NA HMDB2010 NA NA +HMDB07042 DG(14:1(9Z)/18:0/0:0) C35H66O5 566.491028 NA HMDB2010 NA NA +HMDB07099 DG(16:0/16:1(9Z)/0:0) C35H66O5 566.491028 NA HMDB2010 NA NA +HMDB07127 DG(16:1(9Z)/16:0/0:0) C35H66O5 566.491028 NA HMDB2010 NA NA +HMDB07154 DG(18:0/14:1(9Z)/0:0) C35H66O5 566.491028 NA HMDB2010 NA NA +HMDB07182 DG(18:1(11Z)/14:0/0:0) C35H66O5 566.491028 NA HMDB2010 NA NA +HMDB07211 DG(18:1(9Z)/14:0/0:0) C35H66O5 566.491028 NA HMDB2010 NA NA +HMDB05203 DG(16:0/16:1(9Z)/0:0)[iso2] C35H66O5 566.49103 http://www.hmdb.ca/metabolites/HMDB05203 HMDB NA NA +HMDB05203 DG(16:0/16:1(9Z)/0:0)[iso2] C35H66O5 566.49103 HMDB05203 PFEM_hmdb_metabocards_official NA NA +MJ081644 1,3-Octatriacontanediol C38H78O2 566.600181 NA MeJP NA NA +7391 celiac sprue gluten epitope found in hordein QQQQLPQQH 566.771 MH2+ Inhouse_peptide NA peptide +MJ081645 3-[[[[1-(2-Amino-4-thiazolyl)-2-[(2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino]-2-oxoethylidene]amino]oxy]methyl]-6,7-dihydroxy-2-quinoxalinecarboxylic acid C19H17N7O10S2 567.047831 NA MeJP NA NA +FL7AEGGL0002 6-Hydroxydelphinidin 3-(6-malonylglucoside) C24H23O16 567.0986 478693-92-4 knapsack NA NA +PJ005800 CCCCH C18H29N7O6S4 567.1062 NA PeJP NA NA +MJ081646 Everninonitrose C23H31Cl2NO11 567.127416 NA MeJP NA NA +PJ005801 CCNND C18H29N7O10S2 567.1418 NA PeJP NA NA +PJ005802 SCDDE C19H29N5O13S 567.1483 NA PeJP NA NA +PJ005803 PCCDM C20H33N5O8S3 567.1492 NA PeJP NA NA +PJ005804 GDDMM C20H33N5O10S2 567.1669 NA PeJP NA NA +MJ081647 Amidepsine B; 2-Me ether C29H29NO11 567.17406 NA MeJP NA NA +PJ005805 SCNNM C19H33N7O9S2 567.1781 NA PeJP NA NA +PJ005806 GGGGSCM C19H33N7O9S2 567.1782 NA PeJP NA NA +CJpos0822 Phenylacetylglutamine [(2M+K)]+ (13C) C2513CH32KN4O8 567.180675 C18rt(min)=5.95 Pos identified a,b,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0822 Phenylacetylglutamine [(2M+K)]+ (13C) C2513CH32KN4O8 567.180675 C18rt(min)=5.95 Pos identified a,b,c,d base_CJunot_PubAnalChem2012_POS positive NA +PJ005807 GDDDF C23H29N5O12 567.1813 NA PeJP NA NA +PJ005808 CEMW C24H33N5O7S2 567.1822 NA PeJP NA NA +PJ005809 SSDEM C20H33N5O12S 567.1847 NA PeJP NA NA +PJ005810 SPCMM C21H37N5O7S3 567.1855 NA PeJP NA NA +PJ005811 GCDHH C21H29N9O8S 567.186 NA PeJP NA NA +MJ081648 Neoacrimarine D C33H29NO8 567.189316 NA MeJP NA NA +PJ005812 GSSSCQ C19H33N7O11S 567.1959 NA PeJP NA NA +PJ005813 GPCEY C24H33N5O9S 567.1999 NA PeJP NA NA +PJ005814 GTEMM C21H37N5O9S2 567.2033 NA PeJP NA NA +PJ005815 GCNQF C23H33N7O8S 567.2112 NA PeJP NA NA +PJ005816 SSSSSN C19H33N7O13 567.2136 NA PeJP NA NA +PJ005817 SCCQK C20H37N7O8S2 567.2145 NA PeJP NA NA +PJ005818 PCYW C28H33N5O6S 567.2152 NA PeJP NA NA +PJ005819 QEEY C24H33N5O11 567.2177 NA PeJP NA NA +PJ005820 TMMW C25H37N5O6S2 567.2185 NA PeJP NA NA +PJ005821 APCMF C25H37N5O6S2 567.2186 NA PeJP NA NA +PJ005822 STTEM C21H37N5O11S 567.221 NA PeJP NA NA +MJ081649 Saframycin A; Decyano, 14?-methoxy C29H33N3O9 567.221679 NA MeJP NA NA +PJ005823 GVMMM C22H41N5O6S3 567.2219 NA PeJP NA NA +PJ005824 GSMHH C22H33N9O7S 567.2224 NA PeJP NA NA +PJ005825 DDRY C23H33N7O10 567.2289 NA PeJP NA NA +PJ005826 GSSSCK C20H37N7O10S 567.2323 NA PeJP NA NA +PJ005827 AEYW C28H33N5O8 567.2329 NA PeJP NA NA +PJ005828 MMMR C21H41N7O5S3 567.2332 NA PeJP NA NA +PJ005829 GPTMY C25H37N5O8S 567.2363 NA PeJP NA NA +PJ005830 SSLMM C22H41N5O8S2 567.2397 NA PeJP NA NA +PJ005831 SSTHH C22H33N9O9 567.2401 NA PeJP NA NA +PJ005832 GGSPNH C22H33N9O9 567.2402 NA PeJP NA NA +PJ005833 PEHW C27H33N7O7 567.2442 NA PeJP NA NA +MJ081650 Ipalbidine, O-[4--Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranoside] C31H37NO9 567.246831 NA MeJP NA NA +PJ005834 DMFR C24H37N7O7S 567.2475 NA PeJP NA NA +PJ005835 GGGCKF C24H37N7O7S 567.2476 NA PeJP NA NA +MJ081651 Streptomycin; N-De-Me C20H37N7O12 567.250019 NA MeJP NA NA +PJ005836 SCCKK C21H41N7O7S2 567.2509 NA PeJP NA NA +PJ005837 CLFW C29H37N5O5S 567.2516 NA PeJP NA NA +PJ005838 KEEY C25H37N5O10 567.2541 NA PeJP NA NA +PJ005839 QHHF C26H33N9O6 567.2554 NA PeJP NA NA +7901 peptide from bovine b-lactoglobulin WYSL 567.258 antioxidative Inhouse_peptide NA peptide +PJ005840 TERY C24H37N7O9 567.2653 NA PeJP NA NA +PJ005841 SLYW C29H37N5O7 567.2693 NA PeJP NA NA +7489 b-lactokinin (fr, of b-lactoglobulin: 142-146) ALPMH 567.2714 antioxidative Inhouse_peptide NA peptide +PJ005842 AALMY C26H41N5O7S 567.2727 NA PeJP NA NA +PJ005843 GVQQH C23H37N9O8 567.2765 NA PeJP NA NA +PJ005844 GGGGALH C23H37N9O8 567.2766 NA PeJP NA NA +PJ005845 APPHF C28H37N7O6 567.2806 NA PeJP NA NA +PJ005846 VMRY C25H41N7O6S 567.2839 NA PeJP NA NA +C03755 3'-Deoxydihydrostreptomycin C21H41N7O11 567.2864 NA KEGG NA NA +C03756 3'-Nucleoside monophosphate C5H10O7PR 567.2864 NA KEGG NA NA +PJ005847 QQHR C22H37N11O7 567.2878 NA PeJP NA NA +PJ005848 ATTLY C26H41N5O9 567.2904 NA PeJP NA NA +MJ081652 Methyl 6-(3,4-difluorophenyl)-1,6-dihydro-1-[5-[4-(methoxycarbonyl)-4-phenyl-1-piperidinyl]pentyl]-2,4-dimethyl-5-pyrimidinecarboxylate C32H39F2N3O4 567.290863 NA MeJP NA NA +PJ005849 KHHF C27H37N9O5 567.2918 NA PeJP NA NA +PJ005850 GLLEH C25H41N7O8 567.3017 NA PeJP NA NA +PJ005851 AALFF C30H41N5O6 567.3057 NA PeJP NA NA +PJ005852 APPQR C24H41N9O7 567.3129 NA PeJP NA NA +MJ081653 Nelfinavir C32H45N3O4S 567.313077 NA MeJP NA NA +C07257 Nelfinavir C32H45N3O4S 567.3131 NA KEGG NA NA +C11246 6alpha-Glucuronosylhyodeoxycholate C30H47O10 567.3169 NA KEGG NA NA +PJ005853 LLHW C29H41N7O5 567.3169 NA PeJP NA NA +MJ081654 Bicolorine; O1,O8-Di-Me, O14-benzoyl, O6-Ac C33H45NO7 567.319602 NA MeJP NA NA +MJ081655 Dihydrogadesine; O1-Me, O14-cinnamoyl(E-) C33H45NO7 567.319602 NA MeJP NA NA +MJ081656 Dihydrogadesine; O1-Me, O14-cinnamoyl(Z)- C33H45NO7 567.319602 NA MeJP NA NA +MJ081657 Icumazole A C33H45NO7 567.319602 NA MeJP NA NA +MJ081658 Talatizamine; 8-Benzoyl, 14-Ac C33H45NO7 567.319602 NA MeJP NA NA +PJ005854 QKHR C23H41N11O6 567.3242 NA PeJP NA NA +PJ005855 PPLLE C27H45N5O8 567.3268 NA PeJP NA NA +EUR760 Lyso PC 20:3 [M+Na]+ C28H52NO7P 567.330088 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR760 Lyso PC 20:3 [M+Na]+ C28H52NO7P 567.330088 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR760 Lyso PC 20:3 [M+Na]+ C28H52NO7P 567.330088 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR760 Lyso PC 20:3 [M+Na]+ C28H52NO7P 567.330088 masses lipides attendues Inhousejuil11 NA NA +EUR794 Lyso PC 22:6 monoisotopic mass C30H50NO7P 567.332492 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR794 Lyso PC 22:6 monoisotopic mass C30H50NO7P 567.332492 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR794 Lyso PC 22:6 monoisotopic mass C30H50NO7P 567.332492 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR794 Lyso PC 22:6 monoisotopic mass C30H50NO7P 567.332492 masses lipides attendues Inhousejuil11 NA NA +HMDB10404 LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C30H50NO7P 567.33252 NA HMDB2010 NA NA +MJ081659 Penitrem C; Dechloro C37H45NO4 567.334858 NA MeJP NA NA +PJ005856 SVLLH C26H45N7O7 567.3381 NA PeJP NA NA +PJ005857 APPKR C25H45N9O6 567.3493 NA PeJP NA NA +EUR667 Lyso PC 18:1 [M+FA-H]- C26H52NO7P 567.353022 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR667 Lyso PC 18:1 [M+FA-H]- C26H52NO7P 567.353022 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR667 Lyso PC 18:1 [M+FA-H]- C26H52NO7P 567.353022 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR667 Lyso PC 18:1 [M+FA-H]- C26H52NO7P 567.353022 masses lipides attendues Inhousejuil11 NA NA +EUR590 LysoPC(18:1) [M+FA-H]- 567.353025 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR590 LysoPC(18:1) [M+FA-H]- 567.353025 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR590 LysoPC(18:1) [M+FA-H]- 567.353025 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR590 LysoPC(18:1) [M+FA-H]- 567.353025 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR590 LysoPC(18:1) [M+FA-H]- 567.353025 identifiés dans sérum NuGO HMDB NA NA +EUR590 LysoPC(18:1) [M+FA-H]- 567.353025 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR590 LysoPC(18:1) [M+FA-H]- 567.353025 identifies dans serum NuGO Inhousejuil11 NA NA +EUR590 LysoPC(18:1) [M+FA-H]- 567.353025 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR590 LysoPC(18:1) [M+FA-H]- 567.353025 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR713 LysoPE (20:1) [M-H+acetate]- C25H50NO7P 567.353592 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR868 Lyso PE 20:1 [M-H+acetate]- C25H50NO7P 567.353592 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR713 LysoPE (20:1) [M-H+acetate]- C25H50NO7P 567.353592 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR868 Lyso PE 20:1 [M-H+acetate]- C25H50NO7P 567.353592 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR713 LysoPE (20:1) [M-H+acetate]- C25H50NO7P 567.353592 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR868 Lyso PE 20:1 [M-H+acetate]- C25H50NO7P 567.353592 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR713 LysoPE (20:1) [M-H+acetate]- C25H50NO7P 567.353592 masses lipides attendues Inhousejuil11 NA NA +EUR868 Lyso PE 20:1 [M-H+acetate]- C25H50NO7P 567.353592 masses lipides attendues Inhousejuil11 NA NA +EUR527 18 :1 Lyso PC F2 F2 567.353825 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR527 18 :1 Lyso PC F2 NA 567.353825 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR527 18 :1 Lyso PC F2 F2 567.353825 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR527 18 :1 Lyso PC F2 NA 567.353825 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR527 18 :1 Lyso PC F2 F2 567.353825 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR527 18 :1 Lyso PC F2 NA 567.353825 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR527 18 :1 Lyso PC F2 F2 567.353825 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR527 18 :1 Lyso PC F2 F2 567.353825 standards wishlist analysés sur QTOF HMDB NA NA +EUR527 18 :1 Lyso PC F2 F2 567.353825 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR527 18 :1 Lyso PC F2 NA 567.353825 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR527 18 :1 Lyso PC F2 F2 567.353825 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR527 18 :1 Lyso PC F2 F2 567.353825 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ005858 KKHR C24H45N11O5 567.3605 NA PeJP NA NA +MJ081660 Isariin C C28H49N5O7 567.363198 NA MeJP NA NA +PJ005859 PPVKK C27H49N7O6 567.3745 NA PeJP NA NA +C12001 5-O-beta-D-Mycaminosyltylactone C31H53NO8 567.3771 NA KEGG NA NA +MJ081661 Juvenimicin B1 C31H53NO8 567.377117 NA MeJP NA NA +MJ081662 Protylonolide; 5-O-(3,6-Dideoxy-3-dimethylamino-?-D-glucopyranoside) C31H53NO8 567.377117 NA MeJP NA NA +MJ081663 Rosamicin; 20-Deoxo C31H53NO8 567.377117 NA MeJP NA NA +EUR410 Zeaxanthine F2 F2 567.389475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR410 Zeaxanthine F2 NA 567.389475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR410 Zeaxanthine F2 F2 567.389475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR410 Zeaxanthine F2 NA 567.389475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR410 Zeaxanthine F2 F2 567.389475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR410 Zeaxanthine F2 NA 567.389475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR410 Zeaxanthine F2 F2 567.389475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR410 Zeaxanthine F2 F2 567.389475 standards wishlist analysés sur QTOF HMDB NA NA +EUR410 Zeaxanthine F2 F2 567.389475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR410 Zeaxanthine F2 NA 567.389475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR410 Zeaxanthine F2 F2 567.389475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR410 Zeaxanthine F2 F2 567.389475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ005860 PLLLL C29H53N5O6 567.3996 NA PeJP NA NA +EUR413 Luteine F2 F2 567.413575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR413 Luteine F2 NA 567.413575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR413 Luteine F2 F2 567.413575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR413 Luteine F2 NA 567.413575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR413 Luteine F2 F2 567.413575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR413 Luteine F2 NA 567.413575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR413 Luteine F2 F2 567.413575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR413 Luteine F2 F2 567.413575 standards wishlist analysés sur QTOF HMDB NA NA +EUR413 Luteine F2 F2 567.413575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR413 Luteine F2 NA 567.413575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR413 Luteine F2 F2 567.413575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR413 Luteine F2 F2 567.413575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ081664 5-(2,3-Epoxy-3-methylbutyl)-3-[2-hydroxy-1-(hydroxymethyl)-2-methylpropyl]-1H-indole, 5'-(9-Octadecenoyl)(Z-) C36H57NO4 567.428759 NA MeJP NA NA +MJ081665 N-[15-Methyl-3-(13-methyl-4-tetradecenoyloxy)hexadecanoyl]glycine, 4',5'-Dihydro C34H65NO5 567.486274 NA MeJP NA NA +HMDB11761 Cer(d18:0/18:0) C36H73NO3 567.559021 NA HMDB2010 NA NA +7699 ACE inhibitor from yeast GADPH KKIATYQER 567.81 MH2+ Inhouse_peptide NA peptide +MJ081666 2,2',2''-Stibylidynetris[thio]trisbutanedioic acid C12H15O12S3Sb 567.876381 NA MeJP NA NA +MJ081667 N-[4-[2-[[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-4-iodobenzenesulfonamide C23H25IN2O5S 568.052886 NA MeJP NA NA +MJ081668 Anhydrobartramiaflavone C30H16O12 568.064175 NA MeJP NA NA +MJ081669 Riccionidin A; Dimer C30H17O12(+) 568.064176 NA MeJP NA NA +MJ081670 1,8-Dihydroxy-3-methylanthraquinone; 8-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C28H24O13 568.12169 NA MeJP NA NA +MJ081671 3',4',5,7-Tetrahydroxyflavone; 7-O-[4-Hydroxybenzoyl-(?6)-?-D-glucopyranoside] C28H24O13 568.12169 NA MeJP NA NA +MJ081672 Astragalin; O''-(4-Hydroxybenzoyl) C28H24O13 568.12169 NA MeJP NA NA +MJ081673 Isoorientin; 2''-O-(4-Hydroxybenzoyl) C28H24O13 568.12169 NA MeJP NA NA +MJ081674 Trifolin; 6''-O-(4-Hydroxybenzoyl) C28H24O13 568.12169 NA MeJP NA NA +FL3FACCS0034 Isoorientin 2''-p-hydroxybenzoate C28H24O13 568.12169 67308-38-7 knapsack NA NA +FL3FACCS0048 2''-O-p-Hydroxybenzoylorientin C28H24O13 568.12169 865111-98-4 knapsack NA NA +FL3FACCS0059 Perfoliatumin A;Isoorientin 6''-O-p-hydroxybenzoate C28H24O13 568.12169 325772-31-4 knapsack NA NA +PJ005861 CCNDD C18H28N6O11S2 568.1258 NA PeJP NA NA +MJ081675 Amentoflavone; 2'',3''-Dihydro, 4''',7''-di-Me ether C32H24O10 568.136946 NA MeJP NA NA +MJ081676 Cynandione B C32H24O10 568.136946 NA MeJP NA NA +MJ081677 Robustaflavone; 2R,3-Dihydro, 4''',7-di-Me ether C32H24O10 568.136946 NA MeJP NA NA +MJ081678 Rugulin C32H24O10 568.136946 NA MeJP NA NA +MJ081679 Xylindein C32H24O10 568.136946 NA MeJP NA NA +MJ081680 nandione B; Stereoisomer C32H24O10 568.136946 NA MeJP NA NA +MJ081681 Ceftizoxime; N-(2-Amino-1-oxopropyl); (2,2-dimethyl-1-oxopropoxy)methyl ester C22H28N6O8S2 568.141003 NA MeJP NA NA +MJ081682 1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 1-O-[?-D-xylopyranosyl-(1?2)-?-D-glucopyranoside] C25H28O15 568.14282 NA MeJP NA NA +MJ081683 1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C25H28O15 568.14282 NA MeJP NA NA +MJ081684 1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 2-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C25H28O15 568.14282 NA MeJP NA NA +MJ081685 1,3,5,6-Tetrahydroxyxanthone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C25H28O15 568.14282 NA MeJP NA NA +MJ081686 1,3,5,8-Tetrahydroxyxanthone; 3-Me ether, 8-O-[?-D-xylopyranosyl-(1?6)-D-glucopyranoside] C25H28O15 568.14282 NA MeJP NA NA +MJ081687 3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',6,8-Tetra-Me ether, 3'-O-?-D-glucopyranoside C25H28O15 568.14282 NA MeJP NA NA +MJ081688 Mangiferin; 7-Me ether, 6'-O-?-D-apiofuranoside C25H28O15 568.14282 NA MeJP NA NA +MJ081689 Wubangziside C C25H28O15 568.14282 NA MeJP NA NA +FL5FGGGS0001 5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone 3'-glucoside C25H28O15 568.14282 101021-27-6 knapsack NA NA +PJ005862 GSPCCC C19H32N6O8S3 568.1444 NA PeJP NA NA +MJ081690 Cefuroxime; 1-(2-Methoxy-2-methyl-1-oxopropoxy)ethyl ester C23H28N4O11S 568.147528 NA MeJP NA NA +FL5FF8NN0001 6,8-Dimethoxy-2,3-trans-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-hydroxymethyl-2,3-dihydro-7H-1,4-dioxono[2,3-h]chromene-7-one C29H28O12 568.15807 162663-69-6 knapsack NA NA +FL6FACGS0003 Viscutin 2 C29H28O12 568.15807 108403-44-7 knapsack NA NA +MJ081691 2,3-Dihydro-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-hydroxymethyl-6,8-dimethoxy-7H-1,4-dioxino[2,3-h]chromen-7-one C29H28O12 568.158076 NA MeJP NA NA +MJ081692 3',4',5,7-Tetrahydroxyflavan, 5-O-(2-O-Caffeoylxylopyranoside) C29H28O12 568.158076 NA MeJP NA NA +MJ081693 Helisterculin A C29H28O12 568.158076 NA MeJP NA NA +PJ005863 SCNDM C19H32N6O10S2 568.1622 NA PeJP NA NA +C11376 SN38 glucuronide C28H28N2O11 568.1693 NA KEGG NA NA +C11377 alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-D- C25H41N2O19R 568.1693 NA KEGG NA NA +MJ081694 6-Hydroxy-2-[2,3,3a,6-tetrahydro-7-hydroxy-4-(1-hydroxy-1-methylethyl)-2-methyl-6-oxo-6H-benzo[h]pyrano[3,4,5-de]-1-benzopyran-2-yl]naphtho[1,2-b]furan-4-carboxylic acid; Me ester C33H28O9 568.173332 NA MeJP NA NA +MJ081695 Asticolorin C C33H28O9 568.173332 NA MeJP NA NA +PJ005864 GTCCW C23H32N6O7S2 568.1774 NA PeJP NA NA +MJ081696 1-(2,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3',4-Di-O-?-D-glucopyranoside C26H32O14 568.179205 NA MeJP NA NA +MJ081697 1-(4-Hydroxyphenyl)-2-(2,3,5-trihydroxyphenyl)ethylene; 2,3-Di-O-?-D-glucopyranoside C26H32O14 568.179205 NA MeJP NA NA +MJ081698 10-Hydroxyloganic acid; 10-O-(3,4-Dihydroxycinnamoyl)(E-), Me ester C26H32O14 568.179205 NA MeJP NA NA +MJ081699 2-Hydroxybenzyl 2-hydroxybenzoate; Di-O-?-D-glucopyranoside C26H32O14 568.179205 NA MeJP NA NA +MJ081700 3,4-Dihydroxybenzyl alcohol; 1'-O-Benzoyl, 3,4-di-O-?-D-glucopyranoside C26H32O14 568.179205 NA MeJP NA NA +MJ081701 Eleutherol, 4-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C26H32O14 568.179205 NA MeJP NA NA +MJ081702 Lamiide; 7-(4-Hydroxycinnamoyl)(E-) C26H32O14 568.179205 NA MeJP NA NA +MJ081703 Lamiide; 7-(4-Hydroxycinnamoyl)(Z-) C26H32O14 568.179205 NA MeJP NA NA +MJ081704 Lamiide; 7-Benzoyl, 8-Ac C26H32O14 568.179205 NA MeJP NA NA +MJ081705 Shanzhiside; 6-O-(4-Hydroxy-3-methoxycinnamoyl) C26H32O14 568.179205 NA MeJP NA NA +PJ005865 GSSSCE C19H32N6O12S 568.1799 NA PeJP NA NA +PJ005866 GCQMM C20H36N6O7S3 568.1808 NA PeJP NA NA +PJ005867 GCCMR C19H36N8O6S3 568.192 NA PeJP NA NA +MJ081706 Bistratamide A; 11,12-Didehydro C27H32N6O4S2 568.192644 NA MeJP NA NA +MJ081707 8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(3-Phenylpropenoyl), 15-O-?-D-glucopyranoside C30H32O11 568.194461 NA MeJP NA NA +MJ081708 Pterolactone B; 12-Deoxy, 10-O-(4-O-4-hydroxycinnamoyl-?-D-glucopyranoside) C30H32O11 568.194461 NA MeJP NA NA +PJ005868 SSSCW C23H32N6O9S 568.1952 NA PeJP NA NA +PJ005869 SSSSSD C19H32N6O14 568.1977 NA PeJP NA NA +PJ005870 SSNMM C20H36N6O9S2 568.1985 NA PeJP NA NA +MJ081709 10-Hydroxyloganic acid; 10-O-?-D-Glucopyranoside, Me ester C23H36O16 568.200335 NA MeJP NA NA +MJ081710 Shanzhiside; 6'-O-?-D-glucopyranosyl, Me ester C23H36O16 568.200335 NA MeJP NA NA +PJ005871 EEEY C24H32N4O12 568.2017 NA PeJP NA NA +MJ081711 6-Chloro-2,8,9,12,14-pentahydroxy-3,5(16)-briaradien-18,7-olide; 12-Ketone,14-butanoyl, 2,9-di-Ac C28H37ClO10 568.207525 NA MeJP NA NA +MJ081712 6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 13?,14?-Epoxide, 2-butanoyl, 9,12-di-Ac C28H37ClO10 568.207525 NA MeJP NA NA +PJ005872 STCCR C19H36N8O8S2 568.2098 NA PeJP NA NA +PJ005873 CNFW C27H32N6O6S 568.2104 NA PeJP NA NA +MJ081713 Raocyclamide B C27H32N6O6S 568.210403 NA MeJP NA NA +MJ081714 2-Amino-2-deoxy-?-L-galactopyranuronosyl-(1?3)-2-amino-2-deoxy-?-D-quinovosyl-(1?3)-D-rhamnose; ?-Pyranose-form, 2'N,2''N-Di-Ac C22H36N2O15 568.211568 NA MeJP NA NA +PJ005874 GSNEY C23H32N6O11 568.2129 NA PeJP NA NA +MJ081715 1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 5'-Methoxy, 4-O-?-D-glucopyranoside C27H36O13 568.215591 NA MeJP NA NA +MJ081716 1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 5-Methoxy, 4-O-?-D-glucopyranoside C27H36O13 568.215591 NA MeJP NA NA +MJ081717 12,16-Dihydroxy-3,13-clerodadiene-15,16:17,6-diolid-18-oic acid, 12-O-?-D-Glucopyranoside, Me ester C27H36O13 568.215591 NA MeJP NA NA +MJ081718 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol; 1'-O-[ 4-Hydroxy-3-methoxybenzoyl-(1? 6)-?-D-glucopyranoside] C27H36O13 568.215591 NA MeJP NA NA +MJ081719 3,3',4,4',5,7',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5-Tri-Me-ether, 7'-O-?-D-glucopyranoside C27H36O13 568.215591 NA MeJP NA NA +MJ081720 6,15-Dihydroxy-3,13-clerodadiene-16,15:17,12-diolid-18-oic acid, 6-O-?-D-Glucopyranoside, Me ester C27H36O13 568.215591 NA MeJP NA NA +MJ081721 Bruceanic acid A; 15-Deacyl, 15-(4-hydroxy-3,4-dimethyl-2-pentenoyl) C27H36O13 568.215591 NA MeJP NA NA +PJ005875 GSSSTM C20H36N6O11S 568.2163 NA PeJP NA NA +MJ081722 Antibiotic B 4317 C28H32N4O9 568.216928 NA MeJP NA NA +PJ005876 GCKMM C21H40N6O6S3 568.2172 NA PeJP NA NA +MJ081723 Formocortal C29H38ClFO8 568.223924 NA MeJP NA NA +PJ005877 SPNDH C22H32N8O10 568.2242 NA PeJP NA NA +PJ005878 SNYW C27H32N6O8 568.2282 NA PeJP NA NA +C17812 Lappaol D C31H36O10 568.2308 NA KEGG NA NA +MJ081724 1,2,6,9-Tetrahydroxydihydro-?-agarofuran, 6-(3-Furancarbonyl), 9-benzoyl, 1,2-di-Ac C31H36O10 568.230847 NA MeJP NA NA +MJ081725 Lappaol D C31H36O10 568.230847 NA MeJP NA NA +PJ005879 QQMY C24H36N6O8S 568.2315 NA PeJP NA NA +PJ005880 GAQMY C24H36N6O8S 568.2316 NA PeJP NA NA +PJ005881 SSSSTT C20H36N6O13 568.234 NA PeJP NA NA +MJ081726 Hydroxyzine, 3,4,5-Trimethoxybenzoyl C31H37ClN2O6 568.234014 NA MeJP NA NA +PJ005882 STCKM C21H40N6O8S2 568.2349 NA PeJP NA NA +PJ005883 GNNQH C21H32N10O9 568.2354 NA PeJP NA NA +PJ005884 EHHF C26H32N8O7 568.2394 NA PeJP NA NA +PJ005885 CQRY C23H36N8O7S 568.2428 NA PeJP NA NA +MJ081727 Itrocinonide C29H38F2O9 568.248389 NA MeJP NA NA +PJ005886 GSDKY C24H36N6O10 568.2493 NA PeJP NA NA +MJ081728 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,4,7,9-Tetra-Ac C28H40O12 568.251976 NA MeJP NA NA +MJ081729 4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,5,10,13-Tetra-Ac C28H40O12 568.251976 NA MeJP NA NA +MJ081730 4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 1,2,9,13-Tetra-Ac C28H40O12 568.251976 NA MeJP NA NA +MJ081731 4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,5,10,13-Tetra Ac C28H40O12 568.251976 NA MeJP NA NA +MJ081732 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2,4,10,13-Tetra-Ac C28H40O12 568.251976 NA MeJP NA NA +MJ081733 Amarolide; 11-Ac, 2-O-?-D-glucopyranoside C28H40O12 568.251976 NA MeJP NA NA +MJ081734 Musabalbisiane A; 18,19,23-Tris-alcohol, 3-angeloyl C28H40O12 568.251976 NA MeJP NA NA +PJ005887 GPCHR C22H36N10O6S 568.254 NA PeJP NA NA +MJ081735 ?-Morphine C34H36N2O6 568.257336 NA MeJP NA NA +MJ081736 Lindoldhamine C34H36N2O6 568.257336 NA MeJP NA NA +7345 celiac sprue gluten epitope found in glutenin PQQHQQFPQ 568.26 MH2+ Inhouse_peptide NA peptide +7387 celiac sprue gluten epitope found in hordein QQPQHQFPQ 568.26 MH2+ Inhouse_peptide NA peptide +PJ005888 GSSRY C23H36N8O9 568.2605 NA PeJP NA NA +PJ005889 GVQEH C23H36N8O9 568.2606 NA PeJP NA NA +PJ005890 QQFF C28H36N6O7 568.2646 NA PeJP NA NA +MJ081737 18,19-Epoxy-3,12,14-clerodatriene-2,18,19-triol, 2-(4-Hydroxy-3-methoxybenzoyl), 18,19-di-Ac C32H40O9 568.267232 NA MeJP NA NA +MJ081738 Detigloylswietenine; 2?-Hydroxy, 6-deoxy, 3-tigloyl C32H40O9 568.267232 NA MeJP NA NA +MJ081739 Detigloylswietenine; 3-Tigloyl C32H40O9 568.267232 NA MeJP NA NA +MJ081740 Detigloylswietenine; 6-Deoxy, 8?,30?-epoxide, 3-tigloyl C32H40O9 568.267232 NA MeJP NA NA +MJ081741 Humilinolide C; 2-De-Ac C32H40O9 568.267232 NA MeJP NA NA +MJ081742 Ingol; O8-Me, 7-benzoyl, 3,12-di-Ac C32H40O9 568.267232 NA MeJP NA NA +MJ081743 Monachosorin A; 2,12'-Dihydro, 14'-O-?-D-glucopyranoside C32H40O9 568.267232 NA MeJP NA NA +MJ081744 Swietenolide; 3-Tigloyl C32H40O9 568.267232 NA MeJP NA NA +PJ005891 QKMY C25H40N6O7S 568.2679 NA PeJP NA NA +PJ005892 GAPPPM C25H40N6O7S 568.268 NA PeJP NA NA +PJ005893 QEHR C22H36N10O8 568.2718 NA PeJP NA NA +PJ005894 VQHW C27H36N8O6 568.2758 NA PeJP NA NA +PJ005895 CKRY C24H40N8O6S 568.2792 NA PeJP NA NA +EUR154 LeukotrieneF4(LTF4) C28H44N2O8S 568.2818 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR154 LeukotrieneF4(LTF4) C28H44N2O8S 568.2818 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR154 LeukotrieneF4(LTF4) C28H44N2O8S 568.2818 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR154 LeukotrieneF4(LTF4) C28H44N2O8S 568.2818 Wishlist Inhousejuil11 NA NA +C06462 Leukotriene F4 C28H44N2O8S 568.2818 NA KEGG NA NA +MJ081745 Leukotriene F4 C28H44N2O8S 568.281837 NA MeJP NA NA +EUR154 LeukotrieneF4(LTF4) C28H44N2O8S 568.28184 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR154 LeukotrieneF4(LTF4) C28H44N2O8S 568.28184 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR154 LeukotrieneF4(LTF4) C28H44N2O8S 568.28184 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR154 LeukotrieneF4(LTF4) C28H44N2O8S 568.28184 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR154 LeukotrieneF4(LTF4) C28H44N2O8S 568.28184 Wishlist HMDB NA NA +EUR154 LeukotrieneF4(LTF4) C28H44N2O8S 568.28184 Wishlist Inhouse_PFEM NA NA +EUR154 LeukotrieneF4(LTF4) C28H44N2O8S 568.28184 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR154 LeukotrieneF4(LTF4) C28H44N2O8S 568.28184 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB06465 leukotriene F4 C28H44N2O8S 568.28186 http://www.hmdb.ca/metabolites/HMDB06465 HMDB NA NA +HMDB06465 leukotriene F4 C28H44N2O8S 568.28186 HMDB06465 PFEM_hmdb_metabocards_official NA NA +HMDB06465 Leukotriene F4 C28H44N2O8S 568.28186 NA HMDB2010 NA NA +MJ081746 Castanaguyone C36H40O6 568.282489 NA MeJP NA NA +PJ005896 GTTKY C25H40N6O9 568.2857 NA PeJP NA NA +PJ005897 AHRW C26H36N10O5 568.287 NA PeJP NA NA +MJ081747 1,3,5,11,14-Pentahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-L-talopyranoside) C29H44O11 568.288362 NA MeJP NA NA +MJ081748 1,3,5,14-Tetrahydroxycard-20(22)-enolide, 3-O-?-D-Glucopyranoside C29H44O11 568.288362 NA MeJP NA NA +MJ081749 3,5,11,14,19-Pentahydroxycard-20(22)-enolide, 3-O-Rhamnoside C29H44O11 568.288362 NA MeJP NA NA +MJ081750 3,5,11,14,19-Pentahydroxycard-20(22)-enolide, 3-O-Talomethyloside C29H44O11 568.288362 NA MeJP NA NA +MJ081751 3,5,11,14-Tetrahydroxy-19-oxocard-20(22)-enolide, 19-Alcohol, 3-O-?-D-Gulomethyloside C29H44O11 568.288362 NA MeJP NA NA +MJ081752 3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-?-D-Glucofuranoside C29H44O11 568.288362 NA MeJP NA NA +MJ081753 4,18:11,16:15,16-Triepoxy-2,3,6,15,19-clerodanepentol, 15-Me ether, 3-(2-methylpropanoyl), 6,19-di-Ac C29H44O11 568.288362 NA MeJP NA NA +MJ081754 4,18:11,16:15,16-Triepoxy-2,3,6,15,19-clerodanepentol, 15-Me ether, 3-(2-methylpropanoyl), 6,19-di Ac C29H44O11 568.288362 NA MeJP NA NA +MJ081755 4,18:11,16:15,16-Triepoxy-2,3,6,15,19-clerodanepentol, 15-Me ether, 3-(2-methylpropanoyl), 6,19-di-Ac C29H44O11 568.288362 NA MeJP NA NA +MJ081756 Nigakihemiacetal B; 11?-Alcohol, 16-epimer, O16-Me, 11-O-?-D-glucopyranoside C29H44O11 568.288362 NA MeJP NA NA +C08878 Sarmentoloside C29H44O11 568.2884 NA KEGG NA NA +PJ005898 APPER C24H40N8O8 568.2969 NA PeJP NA NA +PJ005899 GPPLW C29H40N6O6 568.301 NA PeJP NA NA +C11962 5-Oxoavermectin ''1b'' aglycone C33H44O8 568.3036 NA KEGG NA NA +MJ081757 12-Hydroxyvilasinin; 7-Tigloyl, 12-Ac C33H44O8 568.303618 NA MeJP NA NA +MJ081758 Helvolic acid C33H44O8 568.303618 NA MeJP NA NA +MJ081759 Hyperbrasilol A C33H44O8 568.303618 NA MeJP NA NA +MJ081760 Sarothralin A C33H44O8 568.303618 NA MeJP NA NA +PJ005900 KKMY C26H44N6O6S 568.3043 NA PeJP NA NA +HMDB01097 Protoporphyrinogen IX C34H40N4O4 568.30493 http://www.hmdb.ca/metabolites/HMDB01097 HMDB NA NA +HMDB01097 Protoporphyrinogen IX C34H40N4O4 568.30493 HMDB01097 PFEM_hmdb_metabocards_official NA NA +HMDB01097 Protoporphyrinogen IX C34H40N4O4 568.304932 NA HMDB2010 NA NA +MJ081761 Adouetine Y C34H40N4O4 568.304955 NA MeJP NA NA +MJ081762 Ceanothine E C34H40N4O4 568.304955 NA MeJP NA NA +MJ081763 Crenatine A C34H40N4O4 568.304955 NA MeJP NA NA +MJ081764 Deoxoaralionine A C34H40N4O4 568.304955 NA MeJP NA NA +MJ081765 Discarine D C34H40N4O4 568.304955 NA MeJP NA NA +MJ081766 Scutianine B C34H40N4O4 568.304955 NA MeJP NA NA +MJ081767 Scutianine L C34H40N4O4 568.304955 NA MeJP NA NA +MJ081768 Protoporphyrinogen IX C34H40N4O4 568.304955 NA MeJP NA NA +MetaCyc03873 protoporphyrinogen IX [protoporphyrinogen;] C34H40N4O4 568.304956 7412-77-3 metacyc NA NA +C01079 Protoporphyrinogen IX C34H40N4O4 568.305 NA KEGG NA NA +C09994 Adouetine Y C34H40N4O4 568.305 NA KEGG NA NA +C10002 Crenatine A C34H40N4O4 568.305 NA KEGG NA NA +MJ081769 22,23-Epoxyergost-7-ene-2,3,4-triol, 4-Sulfate, 2-Ac C30H48O8S 568.306989 NA MeJP NA NA +MJ081770 22,23-Epoxyergost-7-ene-2,3,4-triol, 4-Sulfate, 3-Ac C30H48O8S 568.306989 NA MeJP NA NA +MJ081771 22,23-Epoxyergost-7-ene-2,3,4-triol, 4-Sulfate, 2-Ac C30H48O8S 568.306989 NA MeJP NA NA +MJ081772 22,23-Epoxyergost-7-ene-2,3,4-triol, 4-Sulfate, 3-Ac C30H48O8S 568.306989 NA MeJP NA NA +PJ005901 KEHR C23H40N10O7 568.3082 NA PeJP NA NA +PJ005902 VKHW C28H40N8O5 568.3122 NA PeJP NA NA +MJ081773 Batrachotoxinin A; 4?-Hydroxy, O20-2-ethyl-4-methyl-3-pyrrolecarboxylate C32H44N2O7 568.314851 NA MeJP NA NA +MJ081774 Puberanidine; 9-Deoxy, N-Ac C32H44N2O7 568.314851 NA MeJP NA NA +MJ081775 Talatizamine; O18-De-Me, 18-O-(2-acetamidobenzoyl) C32H44N2O7 568.314851 NA MeJP NA NA +PJ005903 THRR C22H40N12O6 568.3194 NA PeJP NA NA +MJ081776 Dolichocurine C38H40N4O 568.320211 NA MeJP NA NA +MJ081777 Longicaudatine C38H40N4O 568.320211 NA MeJP NA NA +MJ081778 Strychnofuranine C38H40N4O 568.320211 NA MeJP NA NA +MJ081779 Toxiferine I; Bis(deoxy), di-N-de-Me, N4-oxide C38H40N4O 568.320211 NA MeJP NA NA +MJ081780 Toxiferine I; Monodeoxy, di-N-de-Me C38H40N4O 568.320211 NA MeJP NA NA +PJ005904 PPVKE C26H44N6O8 568.3221 NA PeJP NA NA +HMDB02430 (3a,5b,7a)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid C30H48O10 568.324768 NA HMDB2010 NA NA +HMDB02596 Deoxycholic acid 3-glucuronide C30H48O10 568.324768 NA HMDB2010 NA NA +HMDB02430 (3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid C30H48O10 568.32477 http://www.hmdb.ca/metabolites/HMDB02430 HMDB NA NA +HMDB02596 Deoxycholic acid 3-glucuronide C30H48O10 568.32477 http://www.hmdb.ca/metabolites/HMDB02596 HMDB NA NA +HMDB02430 (3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid C30H48O10 568.32477 HMDB02430 PFEM_hmdb_metabocards_official NA NA +HMDB02596 Deoxycholic acid 3-glucuronide C30H48O10 568.32477 HMDB02596 PFEM_hmdb_metabocards_official NA NA +MJ081781 Antibiotic PF 1070A C31H44N4O6 568.326085 NA MeJP NA NA +MJ081782 Antibiotic WF 3161 C31H44N4O6 568.326085 NA MeJP NA NA +PJ005905 SPPLR C25H44N8O7 568.3333 NA PeJP NA NA +PJ005906 KKFF C30H44N6O5 568.3373 NA PeJP NA NA +C11977 6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone C34H48O7 568.34 NA KEGG NA NA +MJ081783 3,15-Dihydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid, Di-Ac C34H48O7 568.340003 NA MeJP NA NA +MJ081784 7-Labdene-2,15-diol, 2-Ac, 15-O-(4-acetoxy-3-methoxycinnamoyl) C34H48O7 568.340003 NA MeJP NA NA +MJ081785 9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12-(2,4-Decadienoyl), 13-(2-methylpropanoyl) C34H48O7 568.340003 NA MeJP NA NA +MJ081786 Antibiotic C 076; Antibiotic C 076IIb C34H48O7 568.340003 NA MeJP NA NA +MJ081787 Antibiotic VM 44866; 22-Deoxy C34H48O7 568.340003 NA MeJP NA NA +MJ081788 Bruceajavanin A C34H48O7 568.340003 NA MeJP NA NA +MJ081789 Milbemycin IV; 27-Hydroxy, 5-ketone C34H48O7 568.340003 NA MeJP NA NA +MJ081790 Milbemycin IV; 27-Oxo C34H48O7 568.340003 NA MeJP NA NA +MJ081791 Spirostane-2,3,5,6-tetrol, O2-Benzoyl C34H48O7 568.340003 NA MeJP NA NA +MJ081792 Spirostane-2,3,5,6-tetrol, O3-Benzoyl C34H48O7 568.340003 NA MeJP NA NA +MJ081793 Acobretine A; O8-De-Ac, O8-Et C33H48N2O6 568.351237 NA MeJP NA NA +MJ081794 Actinioerythrol C38H48O4 568.35526 NA MeJP NA NA +MJ081795 Chamone II C38H48O4 568.35526 NA MeJP NA NA +MJ081796 Sampsonione D C38H48O4 568.35526 NA MeJP NA NA +PJ005907 PVLLQ C27H48N6O7 568.3585 NA PeJP NA NA +MJ081797 7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-(3-methylbutanoyl), 2-O-fucopyranoside C31H52O9 568.361133 NA MeJP NA NA +PJ005908 APLLR C26H48N8O6 568.3697 NA PeJP NA NA +MJ081798 3,22,24-Trihydroxy-12-oleanen-28-oic acid, 3-Ketone, 22-angeloyl C35H52O6 568.376389 NA MeJP NA NA +MJ081799 3,25-Epoxy-3,22-dihydroxy-12-oleanen-28-oic acid, 22-(3-Methyl-2-butenoyl) C35H52O6 568.376389 NA MeJP NA NA +MJ081800 3,25-Epoxy-3,22-dihydroxy-12-oleanen-28-oic acid, 22-Angeloyl C35H52O6 568.376389 NA MeJP NA NA +MJ081801 Manzamine A, 8-Hydroxy, 1,2,3,4-tetrahydro C36H48N4O2 568.377726 NA MeJP NA NA +EUR411 Zeaxanthine F3 F3 568.394475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR411 Zeaxanthine F3 NA 568.394475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR411 Zeaxanthine F3 F3 568.394475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR411 Zeaxanthine F3 NA 568.394475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR411 Zeaxanthine F3 F3 568.394475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR411 Zeaxanthine F3 NA 568.394475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR411 Zeaxanthine F3 F3 568.394475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR411 Zeaxanthine F3 F3 568.394475 standards wishlist analysés sur QTOF HMDB NA NA +EUR411 Zeaxanthine F3 F3 568.394475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR411 Zeaxanthine F3 NA 568.394475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR411 Zeaxanthine F3 F3 568.394475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR411 Zeaxanthine F3 F3 568.394475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ005909 PVLLK C28H52N6O6 568.3949 NA PeJP NA NA +MJ081802 Bengamide Z; 6-Deoxy, N-de-Me, 5'-O-tetradecanoyl C31H56N2O7 568.408752 NA MeJP NA NA +EUR414 Luteine F3 F3 568.422275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR414 Luteine F3 NA 568.422275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR414 Luteine F3 F3 568.422275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR414 Luteine F3 NA 568.422275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR414 Luteine F3 F3 568.422275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR414 Luteine F3 NA 568.422275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR414 Luteine F3 F3 568.422275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR414 Lutéine F3 F3 568.422275 standards wishlist analysés sur QTOF HMDB NA NA +EUR414 Luteine F3 F3 568.422275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR414 Luteine F3 NA 568.422275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR414 Luteine F3 F3 568.422275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR414 Luteine F3 F3 568.422275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR001 Lutein C40H56O2 568.428 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR082 Zeaxanthin C40H56O2 568.428 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR001 Lutein C40H56O2 568.428 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR082 Zeaxanthin C40H56O2 568.428 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR001 Lutein C40H56O2 568.428 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR082 Zeaxanthin C40H56O2 568.428 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR001 Lutein C40H56O2 568.428 Wishlist Inhousejuil11 NA NA +EUR082 Zeaxanthin C40H56O2 568.428 Wishlist Inhousejuil11 NA NA +C06098 Zeaxanthin C40H56O2 568.428 NA KEGG NA NA +C08599 Lactucaxanthin C40H56O2 568.428 NA KEGG NA NA +C08601 Lutein C40H56O2 568.428 NA KEGG NA NA +C15933 Deoxymyxol C40H56O2 568.428 NA KEGG NA NA +C16270 Rhodopinal C40H56O2 568.428 NA KEGG NA NA +EUR001 Lutein C40H56O2 568.42803 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR082 Zeaxanthin C40H56O2 568.42803 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR001 Lutein C40H56O2 568.42803 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR082 Zeaxanthin C40H56O2 568.42803 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR001 Lutein C40H56O2 568.42803 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR082 Zeaxanthin C40H56O2 568.42803 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR001 Lutein C40H56O2 568.42803 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR082 Zeaxanthin C40H56O2 568.42803 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR001 Lutein C40H56O2 568.42803 Wishlist HMDB NA NA +EUR082 Zeaxanthin C40H56O2 568.42803 Wishlist HMDB NA NA +EUR001 Lutein C40H56O2 568.42803 Wishlist Inhouse_PFEM NA NA +EUR082 Zeaxanthin C40H56O2 568.42803 Wishlist Inhouse_PFEM NA NA +EUR001 Lutein C40H56O2 568.42803 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR082 Zeaxanthin C40H56O2 568.42803 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR001 Lutein C40H56O2 568.42803 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR082 Zeaxanthin C40H56O2 568.42803 Wishlist PFEM_hmdb_metabocards_official NA NA +MJ081803 Zeaxanthin C40H56O2 568.428031 NA MeJP NA NA +MJ081804 4'-Hydroxy-5',6'-dihydro-?,?-caroten-4-one C40H56O2 568.428031 NA MeJP NA NA +MJ081805 5,8-Epidioxy-5,8-dihydro-?,?-carotene C40H56O2 568.428031 NA MeJP NA NA +MJ081806 ?,?-Carotene-2,2'-diol C40H56O2 568.428031 NA MeJP NA NA +MJ081807 ?,?-Carotene-2,3-diol C40H56O2 568.428031 NA MeJP NA NA +MJ081808 ?,?-Carotene-3,4-diol C40H56O2 568.428031 NA MeJP NA NA +MJ081809 ?,?-Caroten-2-ol; 5?,6?-Epoxide C40H56O2 568.428031 NA MeJP NA NA +MJ081810 ?,?-Carotene-2,3'-diol C40H56O2 568.428031 NA MeJP NA NA +MJ081811 ?-Carotene diepoxide C40H56O2 568.428031 NA MeJP NA NA +MJ081812 ?-Cryptoxanthin; 5'?,6'?-Epoxide C40H56O2 568.428031 NA MeJP NA NA +MJ081813 ?-Cryptoxanthin; 5R,6S-Epoxide C40H56O2 568.428031 NA MeJP NA NA +MJ081814 Auroxanthin; 3,3'-Dideoxy C40H56O2 568.428031 NA MeJP NA NA +MJ081815 Capsanthin; 3-Deoxy C40H56O2 568.428031 NA MeJP NA NA +MJ081816 Ferrubietolide C40H56O2 568.428031 NA MeJP NA NA +MJ081817 Flexixanthin; 3-Deoxy, 3',4'-dihydro C40H56O2 568.428031 NA MeJP NA NA +MJ081818 Isozeaxanthin C40H56O2 568.428031 NA MeJP NA NA +MJ081819 Lutein C40H56O2 568.428031 NA MeJP NA NA +MJ081820 Luteochrome C40H56O2 568.428031 NA MeJP NA NA +MJ081821 Lycophyll C40H56O2 568.428031 NA MeJP NA NA +MJ081822 Micromonol; 3'-Deoxy, 3',4'-didehydro C40H56O2 568.428031 NA MeJP NA NA +MJ081823 Mutatochrome; 3-Hydroxy C40H56O2 568.428031 NA MeJP NA NA +MJ081824 Plectaniaxanthin C40H56O2 568.428031 NA MeJP NA NA +MJ081825 Rhodopinol; 20-Aldehyde C40H56O2 568.428031 NA MeJP NA NA +MJ081826 Rubichrome C40H56O2 568.428031 NA MeJP NA NA +MJ081827 Saproxanthin C40H56O2 568.428031 NA MeJP NA NA +MJ081828 Semi-?-carotenone C40H56O2 568.428031 NA MeJP NA NA +MJ081829 Semi-?-carotenone C40H56O2 568.428031 NA MeJP NA NA +MJ081830 Spheroidenone; O-De-Me C40H56O2 568.428031 NA MeJP NA NA +MJ081831 Tunaxanthin C40H56O2 568.428031 NA MeJP NA NA +MJ081832 Zeaxanthin C40H56O2 568.428031 NA MeJP NA NA +MetaCyc03874 zeaxanthin [β,β-carotene-3,3'-diol;] C40H56O2 568.428031 NA metacyc NA NA +MetaCyc03875 lutein [] C40H56O2 568.428031 NA metacyc NA NA +MetaCyc03876 lactucaxanthin [ε,ε-carotene-3,3'-diol;] C40H56O2 568.428031 NA metacyc NA NA +HMDB02789 Zeaxanthin C40H56O2 568.42804 http://www.hmdb.ca/metabolites/HMDB02789 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03233 Lutein C40H56O2 568.42804 http://www.hmdb.ca/metabolites/HMDB03233 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02198 (3R,3'R,6'R,9-cis)-Carotene-3,3'-diol C40H56O2 568.42804 http://www.hmdb.ca/metabolites/HMDB02198 HMDB NA NA +HMDB02789 Zeaxanthin C40H56O2 568.42804 http://www.hmdb.ca/metabolites/HMDB02789 HMDB NA NA +HMDB02950 (3R,3'R,6'R,9'-cis)-b,e-Carotene-3,3'-diol C40H56O2 568.42804 http://www.hmdb.ca/metabolites/HMDB02950 HMDB NA NA +HMDB03112 (3R,3'R,13-cis)-b,b-Carotene-3,3'-diol C40H56O2 568.42804 http://www.hmdb.ca/metabolites/HMDB03112 HMDB NA NA +HMDB03146 (3R,3'R,9-cis)-b,b-Carotene-3,3'-diol C40H56O2 568.42804 http://www.hmdb.ca/metabolites/HMDB03146 HMDB NA NA +HMDB03233 Lutein C40H56O2 568.42804 http://www.hmdb.ca/metabolites/HMDB03233 HMDB NA NA +HMDB03240 (3R,3'R,15-cis)-b,b-Carotene-3,3'-diol C40H56O2 568.42804 http://www.hmdb.ca/metabolites/HMDB03240 HMDB NA NA +HMDB03415 (3R,3'S,6'R)-b,e-Carotene-3,3'-diol C40H56O2 568.42804 http://www.hmdb.ca/metabolites/HMDB03415 HMDB NA NA +HMDB03451 (3R,3'R,6'R,13-cis)-b,e-Carotene-3,3'-diol C40H56O2 568.42804 http://www.hmdb.ca/metabolites/HMDB03451 HMDB NA NA +HMDB02789 Zeaxanthin C40H56O2 568.42804 http://www.hmdb.ca/metabolites/HMDB02789 PFEM_hmdb_metabocards_blood NA blood +HMDB03233 Lutein C40H56O2 568.42804 http://www.hmdb.ca/metabolites/HMDB03233 PFEM_hmdb_metabocards_blood NA blood +HMDB02198 (3R,3'R,6'R,9-cis)-Carotene-3,3'-diol C40H56O2 568.42804 HMDB02198 PFEM_hmdb_metabocards_official NA NA +HMDB02789 Zeaxanthin C40H56O2 568.42804 HMDB02789 PFEM_hmdb_metabocards_official NA NA +HMDB02950 (3R,3'R,6'R,9'-cis)-b,e-Carotene-3,3'-diol C40H56O2 568.42804 HMDB02950 PFEM_hmdb_metabocards_official NA NA +HMDB03112 (3R,3'R,13-cis)-b,b-Carotene-3,3'-diol C40H56O2 568.42804 HMDB03112 PFEM_hmdb_metabocards_official NA NA +HMDB03146 (3R,3'R,9-cis)-b,b-Carotene-3,3'-diol C40H56O2 568.42804 HMDB03146 PFEM_hmdb_metabocards_official NA NA +HMDB03233 Lutein C40H56O2 568.42804 HMDB03233 PFEM_hmdb_metabocards_official NA NA +HMDB03240 (3R,3'R,15-cis)-b,b-Carotene-3,3'-diol C40H56O2 568.42804 HMDB03240 PFEM_hmdb_metabocards_official NA NA +HMDB03415 (3R,3'S,6'R)-b,e-Carotene-3,3'-diol C40H56O2 568.42804 HMDB03415 PFEM_hmdb_metabocards_official NA NA +HMDB03451 (3R,3'R,6'R,13-cis)-b,e-Carotene-3,3'-diol C40H56O2 568.42804 HMDB03451 PFEM_hmdb_metabocards_official NA NA +HMDB02198 (3R,3'R,6'R,9-cis)-Carotene-3,3'-diol C40H56O2 568.42804 NA HMDB2010 NA NA +HMDB02789 Zeaxanthin C40H56O2 568.42804 NA HMDB2010 NA NA +HMDB02950 (3R,3'R,6'R,9'-cis)-b,e-Carotene-3,3'-diol C40H56O2 568.42804 NA HMDB2010 NA NA +HMDB03112 (3R,3'R,13-cis)-b,b-Carotene-3,3'-diol C40H56O2 568.42804 NA HMDB2010 NA NA +HMDB03146 (3R,3'R,9-cis)-b,b-Carotene-3,3'-diol C40H56O2 568.42804 NA HMDB2010 NA NA +HMDB03233 Lutein C40H56O2 568.42804 NA HMDB2010 NA NA +HMDB03240 (3R,3'R,15-cis)-b,b-Carotene-3,3'-diol C40H56O2 568.42804 NA HMDB2010 NA NA +HMDB03415 (3R,3'S,6'R)-b,e-Carotene-3,3'-diol C40H56O2 568.42804 NA HMDB2010 NA NA +HMDB03451 (3R,3'R,6'R,13-cis)-b,e-Carotene-3,3'-diol C40H56O2 568.42804 NA HMDB2010 NA NA +MJ081833 Griseochelin C33H60O7 568.433904 NA MeJP NA NA +C15886 3,4-Dihydroanhydrorhodovibrin C41H60O 568.4644 NA KEGG NA NA +C15900 Spheroidene C41H60O 568.4644 NA KEGG NA NA +C15901 Galanin C41H60O 568.4644 NA KEGG NA NA +MJ081834 Spheroidene C41H60O 568.464416 NA MeJP NA NA +MJ081835 15,16-Epoxy-8(17),13(16),14-labdatrien-19-oic acid, 19-Alcohol, 19-O-octadecanoyl C38H64O3 568.485545 NA MeJP NA NA +HMDB05200 DG(16:0/16:0/0:0)[rac] C35H68O5 568.50665 http://www.hmdb.ca/metabolites/HMDB05200 HMDB NA NA +HMDB05200 DG(16:0/16:0/0:0)[rac] C35H68O5 568.50665 HMDB05200 PFEM_hmdb_metabocards_official NA NA +HMDB07013 DG(14:0/18:0/0:0) C35H68O5 568.506653 NA HMDB2010 NA NA +HMDB07098 DG(16:0/16:0/0:0) C35H68O5 568.506653 NA HMDB2010 NA NA +HMDB07153 DG(18:0/14:0/0:0) C35H68O5 568.506653 NA HMDB2010 NA NA +MJ081836 Glycerol 1,3-dialkanoates; Glycerol 1,3-dihexadecanoate C35H68O5 568.506675 NA MeJP NA NA +HMDB02262 Cholesteryl lauric acid C39H68O2 568.52191 http://www.hmdb.ca/metabolites/HMDB02262 HMDB NA NA +HMDB02262 Cholesteryl lauric acid C39H68O2 568.52191 HMDB02262 PFEM_hmdb_metabocards_official NA NA +HMDB02262 CE(12:0) C39H68O2 568.521912 NA HMDB2010 NA NA +MJ081837 Sarcostigmer C36H72O4 568.54306 NA MeJP NA NA +7408 celiac sprue gluten epitope found in secalin QQPQRPEQQ 568.7685 MH2+ Inhouse_peptide NA peptide +3652 NA KKWHKRKK 568.854 MH2+ Inhouse_peptide NA peptide +MetaCyc03877 oxidized watasenia luciferin [] C25H19N3O9S2 569.056271 NA metacyc NA NA +MJ081838 Rebeccamycin C27H21Cl2N3O7 569.075655 NA MeJP NA NA +PJ005910 CCDDD C18H27N5O12S2 569.1098 NA PeJP NA NA +C15343 HR1917 C26H23N7O4 569.1345 NA KEGG NA NA +PJ005911 CCCNQ C18H31N7O8S3 569.1396 NA PeJP NA NA +PJ005912 GGCCCQ C18H31N7O8S3 569.1397 NA PeJP NA NA +PJ005913 SCDDM C19H31N5O11S2 569.1462 NA PeJP NA NA +MJ081839 Lactonamycin C28H27NO12 569.153325 NA MeJP NA NA +PJ005914 GSSCCN C18H31N7O10S2 569.1574 NA PeJP NA NA +PJ005915 GCEMM C20H35N5O8S3 569.1648 NA PeJP NA NA +PJ005916 CCCNK C19H35N7O7S3 569.176 NA PeJP NA NA +PJ005917 GCDEF C23H31N5O10S 569.1792 NA PeJP NA NA +PJ005918 CMMW C24H35N5O5S3 569.1801 NA PeJP NA NA +MJ081840 Astin; Astin C C25H33Cl2N5O6 569.180789 NA MeJP NA NA +PJ005919 SSDMM C20H35N5O10S2 569.1826 NA PeJP NA NA +PJ005920 ACCHH C21H31N9O6S2 569.1839 NA PeJP NA NA +MJ081841 Daunomycin; N-Ac C29H31NO11 569.18971 NA MeJP NA NA +PJ005921 GCNNY C22H31N7O9S 569.1904 NA PeJP NA NA +PJ005922 CDFW C27H31N5O7S 569.1944 NA PeJP NA NA +PJ005923 GSDEY C23H31N5O12 569.1969 NA PeJP NA NA +MJ081842 Capuramycin C23H31N5O12 569.196921 NA MeJP NA NA +PJ005924 GPCMY C24H35N5O7S2 569.1978 NA PeJP NA NA +PJ005925 GTMMM C21H39N5O7S3 569.2012 NA PeJP NA NA +PJ005926 SSCHH C21H31N9O8S 569.2017 NA PeJP NA NA +PJ005927 SPDDH C22H31N7O11 569.2082 NA PeJP NA NA +PJ005928 SDYW C27H31N5O9 569.2122 NA PeJP NA NA +PJ005929 QEMY C24H35N5O9S 569.2156 NA PeJP NA NA +PJ005930 STTMM C21H39N5O9S2 569.2189 NA PeJP NA NA +PJ005931 GNNEH C21H31N9O10 569.2194 NA PeJP NA NA +MJ081843 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 6-(3-furancarbonyl), 1,8-di-Ac C30H35NO10 569.226096 NA MeJP NA NA +MJ081844 Aklavine C30H35NO10 569.226096 NA MeJP NA NA +MJ081845 Novobiocin; O-Decarbamoyl C30H35NO10 569.226096 NA MeJP NA NA +C09937 Celapanine C30H35NO10 569.2261 NA KEGG NA NA +C12476 Descarbamoylnovobiocin C30H35NO10 569.2261 NA KEGG NA NA +PJ005932 CERY C23H35N7O8S 569.2268 NA PeJP NA NA +PJ005933 AMYW C28H35N5O6S 569.2308 NA PeJP NA NA +PJ005934 GTTEY C24H35N5O11 569.2333 NA PeJP NA NA +PJ005935 AAMMF C25H39N5O6S2 569.2342 NA PeJP NA NA +PJ005936 NNHW C25H31N9O7 569.2347 NA PeJP NA NA +MJ081846 Verruculogen; 8?-Acetoxy C29H35N3O9 569.237329 NA MeJP NA NA +PJ005937 PMHW C27H35N7O5S 569.2421 NA PeJP NA NA +PJ005938 GVEEH C23H35N7O10 569.2446 NA PeJP NA NA +PJ005939 TTYW C28H35N5O8 569.2486 NA PeJP NA NA +PJ005940 KEMY C25H39N5O8S 569.252 NA PeJP NA NA +PJ005941 EEHR C22H35N9O9 569.2558 NA PeJP NA NA +PJ005942 VEHW C27H35N7O7 569.2598 NA PeJP NA NA +PJ005943 TMRY C24H39N7O7S 569.2632 NA PeJP NA NA +PJ005944 AFFW C32H35N5O5 569.2638 NA PeJP NA NA +PJ005945 GSNHR C21H35N11O8 569.267 NA PeJP NA NA +PJ005946 SSTLY C25H39N5O10 569.2697 NA PeJP NA NA +PJ005947 PPTQQ C24H39N7O9 569.2809 NA PeJP NA NA +PJ005948 ATLEH C24H39N7O9 569.281 NA PeJP NA NA +PJ005949 PKYY C29H39N5O7 569.285 NA PeJP NA NA +MJ081847 Gentamicin B; 1-N-[(S)-3-Amino-2-hydroxypropanoyl] C22H43N5O12 569.290821 NA MeJP NA NA +PJ005950 SPPNR C23H39N9O8 569.2922 NA PeJP NA NA +PJ005951 TFFR C28H39N7O6 569.2962 NA PeJP NA NA +MJ081848 Mithaconitine C32H43NO8 569.298867 NA MeJP NA NA +PJ005952 GLLMH C25H43N7O6S 569.2996 NA PeJP NA NA +7704 pyrokinin TENMO-PK-1 HVVNFTPRLG 569.30495 MH2+ Inhouse_peptide NA peptide +PJ005953 STLLH C25H43N7O8 569.3173 NA PeJP NA NA +PJ005954 GGGGPLL C25H43N7O8 569.3174 NA PeJP NA NA +PJ005955 LKFY C30H43N5O6 569.3213 NA PeJP NA NA +MJ081849 Hysodricanine C C30H43N5O6 569.321334 NA MeJP NA NA +MJ081850 Sativanine D C30H43N5O6 569.321334 NA MeJP NA NA +PJ005956 PPPLF C30H43N5O6 569.3214 NA PeJP NA NA +PJ005957 PPLLM C27H47N5O6S 569.3247 NA PeJP NA NA +MJ081851 Leucylglycylprolylalanylglycylarginine C24H43N9O7 569.328544 NA MeJP NA NA +PJ005958 GPLQR C24H43N9O7 569.3286 NA PeJP NA NA +8202 ACE inhibitor VIPEL 569.33 Dipeptides ;SYN:L-Cysteinylglycine; N-L-Cysteinylglycine; N-L-cysteinyl-Glycine; N-cysteinyl Glycine; N-cysteinyl-Glycine;Cys-GlyH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +PJ005959 AAPRR C23H43N11O6 569.3398 NA PeJP NA NA +PJ005960 PVLLE C27H47N5O8 569.3425 NA PeJP NA NA +EUR755 Lyso PC 20:2 [M+Na]+ C28H54NO7P 569.345738 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR755 Lyso PC 20:2 [M+Na]+ C28H54NO7P 569.345738 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR755 Lyso PC 20:2 [M+Na]+ C28H54NO7P 569.345738 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR755 Lyso PC 20:2 [M+Na]+ C28H54NO7P 569.345738 masses lipides attendues Inhousejuil11 NA NA +EUR789 Lyso PC 22:5 monoisotopic mass C30H52NO7P 569.348142 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR789 Lyso PC 22:5 monoisotopic mass C30H52NO7P 569.348142 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR789 Lyso PC 22:5 monoisotopic mass C30H52NO7P 569.348142 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR789 Lyso PC 22:5 monoisotopic mass C30H52NO7P 569.348142 masses lipides attendues Inhousejuil11 NA NA +HMDB10402 LysoPC(22:5(4Z,7Z,10Z,13Z,16Z)) C30H52NO7P 569.348145 NA HMDB2010 NA NA +HMDB10403 LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)) C30H52NO7P 569.348145 NA HMDB2010 NA NA +EUR577 LysoPC(22:5) NA 569.348175 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR577 LysoPC(22:5) [M+H]+ 569.348175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR577 LysoPC(22:5) NA 569.348175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR577 LysoPC(22:5) [M+H]+ 569.348175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR577 LysoPC(22:5) NA 569.348175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR577 LysoPC(22:5) [M+H]+ 569.348175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR577 LysoPC(22:5) NA 569.348175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR577 LysoPC(22:5) NA 569.348175 identifiés dans sérum NuGO HMDB NA NA +EUR577 LysoPC(22:5) NA 569.348175 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR577 LysoPC(22:5) [M+H]+ 569.348175 identifies dans serum NuGO Inhousejuil11 NA NA +EUR577 LysoPC(22:5) NA 569.348175 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR577 LysoPC(22:5) NA 569.348175 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +MJ081852 Janthitrem E; 22,34-Dideoxy, 34,35-didehydro C37H47NO4 569.350508 NA MeJP NA NA +PJ005961 PPTKK C26H47N7O7 569.3537 NA PeJP NA NA +PJ005962 GPLKR C25H47N9O6 569.365 NA PeJP NA NA +EUR598 LysoPC(18:0) [M+FA-H]- 569.368625 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR598 LysoPC(18:0) [M+FA-H]- 569.368625 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR598 LysoPC(18:0) [M+FA-H]- 569.368625 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR598 LysoPC(18:0) [M+FA-H]- 569.368625 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR598 LysoPC(18:0) [M+FA-H]- 569.368625 identifiés dans sérum NuGO HMDB NA NA +EUR598 LysoPC(18:0) [M+FA-H]- 569.368625 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR598 LysoPC(18:0) [M+FA-H]- 569.368625 identifies dans serum NuGO Inhousejuil11 NA NA +EUR598 LysoPC(18:0) [M+FA-H]- 569.368625 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR598 LysoPC(18:0) [M+FA-H]- 569.368625 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR672 Lyso PC 18:0 [M+FA-H]- C26H54NO7P 569.368672 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR672 Lyso PC 18:0 [M+FA-H]- C26H54NO7P 569.368672 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR672 Lyso PC 18:0 [M+FA-H]- C26H54NO7P 569.368672 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR672 Lyso PC 18:0 [M+FA-H]- C26H54NO7P 569.368672 masses lipides attendues Inhousejuil11 NA NA +EUR708 Lyso PE (20:0) [M-H+acetate]- C25H52NO7P 569.369242 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR863 Lyso PE 20:0 [M-H+acetate]- C25H52NO7P 569.369242 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR708 Lyso PE (20:0) [M-H+acetate]- C25H52NO7P 569.369242 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR863 Lyso PE 20:0 [M-H+acetate]- C25H52NO7P 569.369242 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR708 Lyso PE (20:0) [M-H+acetate]- C25H52NO7P 569.369242 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR863 Lyso PE 20:0 [M-H+acetate]- C25H52NO7P 569.369242 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR708 Lyso PE (20:0) [M-H+acetate]- C25H52NO7P 569.369242 masses lipides attendues Inhousejuil11 NA NA +EUR863 Lyso PE 20:0 [M-H+acetate]- C25H52NO7P 569.369242 masses lipides attendues Inhousejuil11 NA NA +PJ005963 PVVKK C27H51N7O6 569.3901 NA PeJP NA NA +PJ005964 VLLLL C29H55N5O6 569.4153 NA PeJP NA NA +MJ081853 2-Amino-1,3,4-tetradecanetriol, N-Heneicosanoyl C35H71NO4 569.538309 NA MeJP NA NA +MJ081854 2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxy-21-methyldocosanoyl) C33H79NO5 569.595824 NA MeJP NA NA +MJ081855 Zinc(II) citrate C12H10O14Zn3 569.794494 NA MeJP NA NA +7483 ACE inhibitor (fr, of as1-casein, 1-9) RPKHPIKHQ 569.8255 MH2+ Inhouse_peptide NA peptide +MJ081856 Echinosulfonic acid C; 1''-Me ether C20H16Br2N2O6S 569.909582 NA MeJP NA NA +MJ081857 C.I. Reactive Red 2 C19H12Cl2N6O7S2 569.958593 NA MeJP NA NA +MJ081858 ?-Rubromycin; 3,3',4-Trihydroxy C26H18O15 570.064569 NA MeJP NA NA +MJ081859 3',3''',4',4'',5,5'',7,7''-Octahydroxy-2',8''-biflavone C30H18O12 570.079826 NA MeJP NA NA +MJ081860 3',4',4''',5,5'',5''',7,7''-Octahydroxy-8,3'''-biflavone C30H18O12 570.079826 NA MeJP NA NA +MJ081861 Aulacomniumbiaureusidin C30H18O12 570.079826 NA MeJP NA NA +MJ081862 Aurofusarin C30H18O12 570.079826 NA MeJP NA NA +MJ081863 Biaureusidin C30H18O12 570.079826 NA MeJP NA NA +MJ081864 Bryoflavone C30H18O12 570.079826 NA MeJP NA NA +MJ081865 Dicatenarin C30H18O12 570.079826 NA MeJP NA NA +MJ081866 Dicranolomin C30H18O12 570.079826 NA MeJP NA NA +MJ081867 Heterobryoflavone C30H18O12 570.079826 NA MeJP NA NA +MJ081868 Lupinalbisone A C30H18O12 570.079826 NA MeJP NA NA +MJ081869 Lupinalbisone B C30H18O12 570.079826 NA MeJP NA NA +MJ081870 Robustaflavone; 3',5'''-Dihydroxy C30H18O12 570.079826 NA MeJP NA NA +MJ081871 Skyrin, 1'',1'''-Dihydroxy C30H18O12 570.079826 NA MeJP NA NA +MJ081872 Vahliabiflavone C30H18O12 570.079826 NA MeJP NA NA +MJ081873 Xanthomegnin; 3,4,3',4'-Tetradehydro C30H18O12 570.079826 NA MeJP NA NA +C12557 Cefepime hydrochloride C19H25N6O5S2 570.0889 NA KEGG NA NA +C12558 Transferred to D01158 C19H25N6O5S2 570.0889 NA KEGG NA NA +C12559 Transferred to D01159 C19H25N6O5S2 570.0889 NA KEGG NA NA +FL5FAAGS0045 Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside) C27H22O14 570.10095 149998-42-5 knapsack NA NA +MJ081874 3,4',5,7-Tetrahydroxyflavone; 3-O-[2-O-(3,4,5-Trihydroxybenzoyl)-?-L-arabinopyranoside] C27H22O14 570.100955 NA MeJP NA NA +MJ081875 Morelloflavone, 3'''-Me ether C31H22O11 570.116211 NA MeJP NA NA +PJ005965 CCCNE C18H30N6O9S3 570.1237 NA PeJP NA NA +PJ005966 GCCCW C22H30N6O6S3 570.1389 NA PeJP NA NA +PJ005967 GSSCCD C18H30N6O11S2 570.1414 NA PeJP NA NA +MJ081876 Amentoflavone; 2,2'',3,3''-Tetrahydro, 7,7''-di-Me ether C32H26O10 570.152597 NA MeJP NA NA +MJ081877 Anhydroflavomannin-9,10-quinone; 3,3'-Di-Me ether C32H26O10 570.152597 NA MeJP NA NA +MJ081878 Anhydrophlegmacin-9,10-quinone A2 C32H26O10 570.152597 NA MeJP NA NA +MJ081879 Anhydropseudophlegmacin 9,10-quinone C32H26O10 570.152597 NA MeJP NA NA +MJ081880 Asperinine A C32H26O10 570.152597 NA MeJP NA NA +MJ081881 Aurasperone A C32H26O10 570.152597 NA MeJP NA NA +MJ081882 Chamaejasmin, 4',4'''-Di-Me ether C32H26O10 570.152597 NA MeJP NA NA +MJ081883 Fonsecinone A C32H26O10 570.152597 NA MeJP NA NA +MJ081884 Hinokiflavone; 2,2'',3,3''-Tetrahydro(S,S-), 7,7''-di-Me ether C32H26O10 570.152597 NA MeJP NA NA +MJ081885 Isoaurasperone A C32H26O10 570.152597 NA MeJP NA NA +MJ081886 Isonigerone C32H26O10 570.152597 NA MeJP NA NA +MJ081887 Mesuaferrone A; 4',4'''-Di-Me ether C32H26O10 570.152597 NA MeJP NA NA +MJ081888 Nigerone C32H26O10 570.152597 NA MeJP NA NA +MJ081889 Presengulone C32H26O10 570.152597 NA MeJP NA NA +MJ081890 Torosanin; 10'-Oxo C32H26O10 570.152597 NA MeJP NA NA +MJ081891 Fuzlocillin C25H26N6O8S 570.153282 NA MeJP NA NA +MJ081892 Ligustrosidic acid; 3''-Hydroxy C25H30O15 570.15847 NA MeJP NA NA +PJ005968 SCCQM C19H34N6O8S3 570.16 NA PeJP NA NA +PJ005969 GGTCCM C19H34N6O8S3 570.1601 NA PeJP NA NA +PJ005970 SCCCR C18H34N8O7S3 570.1713 NA PeJP NA NA +MJ081893 Aloesin; 2'-O-(4-Hydroxy-3-methoxycinnamoyl) C29H30O12 570.173726 NA MeJP NA NA +MJ081894 Aloesin; 7-Me ether, 2'-O-(3,4-dihydroxy-E-cinnamoyl) C29H30O12 570.173726 NA MeJP NA NA +MJ081895 Rutaretin, 1'-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] C29H30O12 570.173726 NA MeJP NA NA +MJ081896 Sweroside; 2'-O-(3,3'-Dihydroxy-2-biphenylcarboxylate) C29H30O12 570.173726 NA MeJP NA NA +PJ005971 GCNDY C22H30N6O10S 570.1744 NA PeJP NA NA +PJ005972 GSSSCM C19H34N6O10S2 570.1778 NA PeJP NA NA +MJ081897 Pteroylglutamic acid; Homologue (n = 2) C24H26N8O9 570.182274 NA MeJP NA NA +MJ081898 Cordifoline; Deoxy C28H30N2O11 570.184959 NA MeJP NA NA +FL4DRNNR0001 Sanggenon B C33H30O9 570.18898 81381-67-1 knapsack NA NA +MJ081899 Sanggenon B C33H30O9 570.188982 NA MeJP NA NA +PJ005973 GCNMF C23H34N6O7S2 570.1931 NA PeJP NA NA +MJ081900 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C26H34O14 570.194855 NA MeJP NA NA +MJ081901 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C26H34O14 570.194855 NA MeJP NA NA +MJ081902 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C26H34O14 570.194855 NA MeJP NA NA +MJ081903 2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 6-Me ether, 8-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C26H34O14 570.194855 NA MeJP NA NA +MJ081904 Dihydrooroselol, O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C26H34O14 570.194855 NA MeJP NA NA +MJ081905 Oleuropein; ?-Methoxy (R-) C26H34O14 570.194855 NA MeJP NA NA +MJ081906 Oleuropein; ?-Methoxy (S-) C26H34O14 570.194855 NA MeJP NA NA +MJ081907 Rutaretin; 9-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C26H34O14 570.194855 NA MeJP NA NA +C09257 Decuroside III C26H34O14 570.1949 NA KEGG NA NA +PJ005974 SSSSTC C19H34N6O12S 570.1956 NA PeJP NA NA +PJ005975 SCCKM C20H38N6O7S3 570.1964 NA PeJP NA NA +PJ005976 EEMY C24H34N4O10S 570.1996 NA PeJP NA NA +PJ005977 GNDEH C21H30N8O11 570.2034 NA PeJP NA NA +MJ081908 Bistratamide A C27H34N6O4S2 570.208294 NA MeJP NA NA +MJ081909 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-[3,4-Dihydroxycinnamoyl-(?2)-?-D-glucopyranoside] C30H34O11 570.210111 NA MeJP NA NA +MJ081910 8,15-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 8-(3-Phenylpropenoyl), 15-O-?-D-glucopyranoside C30H34O11 570.210111 NA MeJP NA NA +MJ081911 Gigasol C30H34O11 570.210111 NA MeJP NA NA +MJ081912 Lappaol E; 7'R-Hydroxy C30H34O11 570.210111 NA MeJP NA NA +PJ005978 GSNMY C23H34N6O9S 570.2108 NA PeJP NA NA +PJ005979 NDHW C25H30N8O8 570.2187 NA PeJP NA NA +MJ081913 Aplidite A; 12-Hydroxy, 15-Ac C29H34N2O10 570.221345 NA MeJP NA NA +MJ081914 Aplidite A; Geom. isomer, 12-acetoxy C29H34N2O10 570.221345 NA MeJP NA NA +MJ081915 Aplidite A; Geom. isomer, 12-hydroxy, 15-Ac C29H34N2O10 570.221345 NA MeJP NA NA +PJ005980 SPCQH C22H34N8O8S 570.2221 NA PeJP NA NA +MJ081916 6-Chloro-2,8,9,12,14-pentahydroxy-3,5(16)-briaradien-18,7-olide; 14-Butanoyl, 2,9-di-Ac C28H39ClO10 570.223175 NA MeJP NA NA +MJ081917 5,6,7-Trihydroxy-2-vouacapen-19-oic acid, 6,7-Dibenzoyl C34H34O8 570.225368 NA MeJP NA NA +MJ081918 Iryantherin I C34H34O8 570.225368 NA MeJP NA NA +MJ081919 Staurosporine; 4'-N-Benzoyl C35H30N4O4 570.226705 NA MeJP NA NA +PJ005981 SSSQY C23H34N6O11 570.2286 NA PeJP NA NA +MJ081920 Tetronothiodin C31H38O8S 570.228738 NA MeJP NA NA +PJ005982 ACCKF C24H38N6O6S2 570.2295 NA PeJP NA NA +MJ081921 Diathymosulfone C32H34N4O4S 570.230076 NA MeJP NA NA +MJ081922 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C27H38O13 570.231241 NA MeJP NA NA +MJ081923 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C27H38O13 570.231241 NA MeJP NA NA +MJ081924 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C27H38O13 570.231241 NA MeJP NA NA +MJ081925 Abelioside B; 7-Ac C27H38O13 570.231241 NA MeJP NA NA +MJ081926 Arbutin; 2-O-[6?-Hydroxy-2,6-dimethyl-2,7-octadienoyl-(?5)-?-D-apiofuranosyl] C27H38O13 570.231241 NA MeJP NA NA +MJ081927 Laciniatoside III C27H38O13 570.231241 NA MeJP NA NA +MJ081928 Antibiotic TMC 2A C28H34N4O9 570.232578 NA MeJP NA NA +PJ005983 PEYY C28H34N4O9 570.2326 NA PeJP NA NA +PJ005984 MHHF C26H34N8O5S 570.2373 NA PeJP NA NA +PJ005985 GTQEH C22H34N8O10 570.2398 NA PeJP NA NA +PJ005986 GPPDW C27H34N6O8 570.2438 NA PeJP NA NA +MJ081929 1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 11-Ketone, 1-benzoyl, 2,3-di-Ac C31H38O10 570.246497 NA MeJP NA NA +MJ081930 4,18-Epoxy-6,8,11,19-tetrahydroxy-13-cleroden-15,16-olide, 6-Benzoyl, 11,19-di-Ac C31H38O10 570.246497 NA MeJP NA NA +MJ081931 4,18:8,13-Diepoxy-6,11,19-trihydroxy-15,16-clerodanolide, 6-Benzoyl, 11,19-di-Ac C31H38O10 570.246497 NA MeJP NA NA +MJ081932 5,20-Epoxy-1,2,4,7,10-pentahydroxy-11-taxen-9-one, 2-Benzoyl, 4,10-di-Ac C31H38O10 570.246497 NA MeJP NA NA +MJ081933 5,20-Epoxy-2,4,7,10,13-pentahydroxy-11-taxen-9-one, 2-Benzoyl, 4,10-di-Ac C31H38O10 570.246497 NA MeJP NA NA +MJ081934 5,6;12,15-Diepoxy-3,7,9,11,14-jatrophanepentol, 11,14-Diketone, 3-benzoyl, 7,9-di-Ac C31H38O10 570.246497 NA MeJP NA NA +MJ081935 Dysoxylone C31H38O10 570.246497 NA MeJP NA NA +MJ081936 Nymania 3 C31H38O10 570.246497 NA MeJP NA NA +MJ081937 Phomoidride A C31H38O10 570.246497 NA MeJP NA NA +MJ081938 Picrajavanin A; 2-Debenzoyl, 2-Ac C31H38O10 570.246497 NA MeJP NA NA +MJ081939 Polystachin; 11-O-Deformyl C31H38O10 570.246497 NA MeJP NA NA +MJ081940 Rohituka 13; 15-De-Ac, 15-ketone C31H38O10 570.246497 NA MeJP NA NA +MJ081941 Swietenolide; Di-Ac C31H38O10 570.246497 NA MeJP NA NA +PJ005987 GTCKY C24H38N6O8S 570.2472 NA PeJP NA NA +PJ005988 GSDHR C21H34N10O9 570.2511 NA PeJP NA NA +MJ081942 Benthophoenin C37H34N2O4 570.251857 NA MeJP NA NA +MJ081943 Urabaine; N-Me C37H34N2O4 570.251857 NA MeJP NA NA +PJ005989 TQHW C26H34N8O7 570.2551 NA PeJP NA NA +PJ005990 GVQMH C23H38N8O7S 570.2584 NA PeJP NA NA +PJ005991 GGGLMH C23H38N8O7S 570.2585 NA PeJP NA NA +FL3FRNND0003 Artoindonesianin A;13-[(2E)-3,7-Dimethyl-2,6-octadienyl]-5a,6-dihydro-1,3,8-trihydroxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[2,3-i]xanthen-7-one C35H38O7 570.26175 223386-73-0 knapsack NA NA +MJ081944 Artoindonesianin A C35H38O7 570.261753 NA MeJP NA NA +MJ081945 Iryantherin B C35H38O7 570.261753 NA MeJP NA NA +PJ005992 SSSKY C24H38N6O10 570.265 NA PeJP NA NA +MJ081946 11-Taxen-2,4,5,7,9,10,13,20-octol, 7,9,10,13-Tetra-Ac C28H42O12 570.267626 NA MeJP NA NA +MJ081947 Saframycin Mx 2 C29H38N4O8 570.268964 NA MeJP NA NA +PJ005993 LEFY C29H38N4O8 570.269 NA PeJP NA NA +PJ005994 QMHR C22H38N10O6S 570.2697 NA PeJP NA NA +3485 ACE inhibitors derived from yeast GADPH PANLPWGSSNV 570.2714 MH2+ Inhouse_peptide NA peptide +MJ081948 Chaetoglobosin A; O-Ac C34H38N2O6 570.272986 NA MeJP NA NA +MJ081949 Chaetoglobosin B; 19-Ac C34H38N2O6 570.272986 NA MeJP NA NA +MJ081950 Chaetoglobosin D; 19-Ac C34H38N2O6 570.272986 NA MeJP NA NA +MJ081951 Pipercyclobutanamide A C34H38N2O6 570.272986 NA MeJP NA NA +MJ081952 Scopadonnine C34H38N2O6 570.272986 NA MeJP NA NA +PJ005995 SPPDR C23H38N8O9 570.2762 NA PeJP NA NA +PJ005996 APPTW C28H38N6O7 570.2802 NA PeJP NA NA +PJ005997 CHRR C21H38N12O5S 570.2809 NA PeJP NA NA +MJ081953 12-Hydroxyvilasinin; 1,3,12-Tri-Ac C32H42O9 570.282882 NA MeJP NA NA +MJ081954 14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 3-(5-Carboxypentanoyl), 16-Ac C32H42O9 570.282882 NA MeJP NA NA +MJ081955 17-Hydroxyingenol; 3,17-Diangeloyl, 20-Ac C32H42O9 570.282882 NA MeJP NA NA +MJ081956 3,7,12-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid, 3,7-Diketone, 12-Ac C32H42O9 570.282882 NA MeJP NA NA +MJ081957 5,6-Epoxy-4,12,16-trihydroxy-1-oxowitha-2,24-dienolide, 12,16-Di-Ac C32H42O9 570.282882 NA MeJP NA NA +MJ081958 5,6-Epoxy-4,16,18-trihydroxy-1-oxowitha-2,24-dienolide, 16,18-Di-Ac C32H42O9 570.282882 NA MeJP NA NA +MJ081959 6,6'-(Oxyethylidene)bis[5,7,8-trimethoxy-2,2-dimethyl-2H-1-benzopyran] C32H42O9 570.282882 NA MeJP NA NA +MJ081960 Ardisiaquinone B; Mono-Ac C32H42O9 570.282882 NA MeJP NA NA +MJ081961 Detigloylswietenine; 3-(2-Methylbutanoyl) C32H42O9 570.282882 NA MeJP NA NA +MJ081962 Havanensin; 16-Oxo, tri-Ac C32H42O9 570.282882 NA MeJP NA NA +MJ081963 Kihadalactone A; 6?-Acetoxy C32H42O9 570.282882 NA MeJP NA NA +MJ081964 Xyloccensin G; 30-Deacyloxy C32H42O9 570.282882 NA MeJP NA NA +PJ005998 PPVQM C25H42N6O7S 570.2836 NA PeJP NA NA +PJ005999 GTTHR C22H38N10O8 570.2874 NA PeJP NA NA +PJ006000 GGGGAPR C22H38N10O8 570.2875 NA PeJP NA NA +PJ006001 TKHW C27H38N8O6 570.2914 NA PeJP NA NA +MJ081965 Magireol B C30H51BrO5 570.291987 NA MeJP NA NA +MJ081966 Pacifidine; O8-Me C31H42N2O8 570.294116 NA MeJP NA NA +MJ081967 Puberanidine; O1-De-Me, N-Ac C31H42N2O8 570.294116 NA MeJP NA NA +PJ006002 APPMR C24H42N8O6S 570.2948 NA PeJP NA NA +MJ081968 3'-(8,17-Epoxy-16-oxo-12,14-labdadien-15-yl)-2',4'-dihydroxy-6'-methoxychalcone C36H42O6 570.298139 NA MeJP NA NA +PJ006003 PPTKE C25H42N6O9 570.3014 NA PeJP NA NA +MJ081969 2,3-Epoxy-7(14)-bisabolene-1,4,5,8,10,11-hexol; 5,8,10-Tris(2-methylpropanoyl), 4-Ac C29H46O11 570.304012 NA MeJP NA NA +PJ006004 LLYY C30H42N4O7 570.3054 NA PeJP NA NA +PJ006005 KMHR C23H42N10O5S 570.3061 NA PeJP NA NA +PJ006006 GPLER C24H42N8O8 570.3126 NA PeJP NA NA +PJ006007 GPVLW C29H42N6O6 570.3166 NA PeJP NA NA +MJ081970 1-[7-(2-Hexyl-3-methylcyclopropyl)heptyl]lysoplasmanylinositol C26H51O11P 570.316898 NA MeJP NA NA +MJ081971 3,8,11,12,14-Pentahydroxypregnan-20-one, 11(12)-Benzoyl, 12(11)-(3-methylbutanoyl) C33H46O8 570.319268 NA MeJP NA NA +MJ081972 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-(2,4-Undecadienoyl), 13-Ac C33H46O8 570.319268 NA MeJP NA NA +MJ081973 Deoxyazadirachtolide; 23-Oxo C33H46O8 570.319268 NA MeJP NA NA +MJ081974 Taonia hemilactal; Tri-Ac C33H46O8 570.319268 NA MeJP NA NA +MJ081975 Vilasinin; 20,21,22,23-Tetrahydro, 23-oxo, 7-tigloyl, 3-Ac C33H46O8 570.319268 NA MeJP NA NA +C11963 Avermectin B1b aglycone C33H46O8 570.3193 NA KEGG NA NA +PJ006008 PPVKM C26H46N6O6S 570.32 NA PeJP NA NA +PJ006009 GPNKR C23H42N10O7 570.3238 NA PeJP NA NA +PJ006010 PLRW C28H42N8O5 570.3278 NA PeJP NA NA +MJ081976 Pyrrhoxanthinol C37H46O5 570.334524 NA MeJP NA NA +MJ081977 Longicaudatine Z; 17'-Deoxy, 16',17'-didehydro C38H42N4O 570.335861 NA MeJP NA NA +MJ081978 Longicaudatine; 19',20'?-Dihydro C38H42N4O 570.335861 NA MeJP NA NA +MJ081979 Matopensine C38H42N4O 570.335861 NA MeJP NA NA +PJ006011 PVVKE C26H46N6O8 570.3377 NA PeJP NA NA +MJ081980 Byssomeruliol A; 12'-Deoxy, 14'-O-D-mannopyranoside C30H50O10 570.340397 NA MeJP NA NA +PJ006012 SPVLR C25H46N8O7 570.349 NA PeJP NA NA +MJ081981 2,3,18-Trihydroxy-5,12-oleanadien-28-oic acid, 2,3-Di-Ac C34H50O7 570.355653 NA MeJP NA NA +MJ081982 21,23-Epoxy-1,7-dihydroxy-3,4-secoapotirucalla-4(28),14,24-trien-3-oic acid, Di-Ac C34H50O7 570.355653 NA MeJP NA NA +MJ081983 3,13,16-Trihydroxy-23-oxo-28-oleananoic acid, 28?13 Lactone, 3,16-di-Ac C34H50O7 570.355653 NA MeJP NA NA +MJ081984 3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, 3,15-Di-Ac C34H50O7 570.355653 NA MeJP NA NA +MJ081985 3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, 15,22-Di-Ac C34H50O7 570.355653 NA MeJP NA NA +MJ081986 3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, 3,22-Di-Ac C34H50O7 570.355653 NA MeJP NA NA +MJ081987 3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, 3,15-Di-Ac C34H50O7 570.355653 NA MeJP NA NA +MJ081988 3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, 15,22-Di-Ac C34H50O7 570.355653 NA MeJP NA NA +MJ081989 3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, 3,22-Di-Ac C34H50O7 570.355653 NA MeJP NA NA +MJ081990 3,17,25-Trihydroxy-12-oxo-13,15,20(22),23-isomalabaricatetraen-29-oic acid, 17,25-Di-Me ether, 3-Ac C34H50O7 570.355653 NA MeJP NA NA +MJ081991 3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-(3-Carboxypropanoyl) C34H50O7 570.355653 NA MeJP NA NA +MJ081992 5-Methyl-2-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,4-benzoquinone; Hydroquinone, 4-O-(4-O-acetyl-?-D-arabinopyranoside) C34H50O7 570.355653 NA MeJP NA NA +MJ081993 Amphidinolide U C34H50O7 570.355653 NA MeJP NA NA +MJ081994 Antibiotic C 076; Antibiotic C 076IIa C34H50O7 570.355653 NA MeJP NA NA +MJ081995 Bruceajavanin A; 1,2-Dihydro C34H50O7 570.355653 NA MeJP NA NA +MJ081996 Milbemycin D; O5-Me C34H50O7 570.355653 NA MeJP NA NA +MJ081997 Quercinic acid; 24,31-Didehydro, 3-carboxyacetyl C34H50O7 570.355653 NA MeJP NA NA +MJ081998 Stowardolic acid; 3-[(Carboxyacetyl)oxy] C34H50O7 570.355653 NA MeJP NA NA +MJ081999 Chamone I C38H50O4 570.37091 NA MeJP NA NA +MJ082000 Spiritone C38H50O4 570.37091 NA MeJP NA NA +MJ082001 Weddellianone B C38H50O4 570.37091 NA MeJP NA NA +PJ006013 PTLLK C27H50N6O7 570.3741 NA PeJP NA NA +PJ006014 GLLLR C26H50N8O6 570.3854 NA PeJP NA NA +MJ082002 Bengamide Z; N-De-Me, 6-O-tridecanoyl C30H54N2O8 570.388016 NA MeJP NA NA +MJ082003 12-Hydroxy-20,24-dimethyl-24-oxo-16-scalaren-25-al, 12-(3-Propanoyloxypentanoyl) C35H54O6 570.392039 NA MeJP NA NA +MJ082004 2,3-Dihydroxy-12-oleanen-28-oic acid, Di-Ac, Me ester C35H54O6 570.392039 NA MeJP NA NA +MJ082005 2,3-Dihydroxy-12-ursen-28-oic acid, Di-Ac, Me ester C35H54O6 570.392039 NA MeJP NA NA +MJ082006 3,16-Dihydroxy-24-methylenelanost-8-en-21-oic acid, Di-Ac C35H54O6 570.392039 NA MeJP NA NA +MJ082007 3,22,24-Trihydroxy-12-oleanen-28-oic acid, 22-Angeloyl C35H54O6 570.392039 NA MeJP NA NA +MJ082008 3,23-Dihydroxy-12-oleanen-28-oic acid, Di-Ac, Me ester C35H54O6 570.392039 NA MeJP NA NA +MJ082009 3,27-Dihydroxy-20(29)-lupen-28-oic acid, Di-Ac, Me ester C35H54O6 570.392039 NA MeJP NA NA +MJ082010 3-(3,7-Dimethyl-5-oxo-2,6-octadienyl)-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde; 1'-O-Hexadecanoyl C35H54O6 570.392039 NA MeJP NA NA +MJ082011 Glabretal; 7-Deacetyl, 3-tigloyl C35H54O6 570.392039 NA MeJP NA NA +MJ082012 Hericenone F C35H54O6 570.392039 NA MeJP NA NA +MJ082013 Nidohottin C35H54O6 570.392039 NA MeJP NA NA +MJ082014 2-Octaprenyl-6-methoxy-1,4-benzoquinone C39H54O3 570.407295 NA MeJP NA NA +MJ082015 3-Octaprenyl-4-hydroxybenzoate C39H54O3 570.407295 NA MeJP NA NA +PJ006015 VVLLK C28H54N6O6 570.4105 NA PeJP NA NA +HMDB02746 cis-5,6-dihydro-5,6-dihydroxy-Carotene C40H58O2 570.44366 http://www.hmdb.ca/metabolites/HMDB02746 HMDB NA NA +HMDB02746 cis-5,6-dihydro-5,6-dihydroxy-Carotene C40H58O2 570.44366 HMDB02746 PFEM_hmdb_metabocards_official NA NA +HMDB02746 cis-5,6-Dihydro-5,6-dihydroxy-carotene C40H58O2 570.443665 NA HMDB2010 NA NA +MJ082016 4'-Hydroxy-5,6,5',6',-tetrahydro-?,?-caroten-4-one C40H58O2 570.443681 NA MeJP NA NA +MJ082017 5-Hydroxy-5,6-seco-?,?-caroten-6-one C40H58O2 570.443681 NA MeJP NA NA +MJ082018 Lutein; 7',8'-Dihydro C40H58O2 570.443681 NA MeJP NA NA +MJ082019 Podototarin C40H58O2 570.443681 NA MeJP NA NA +MJ082020 Rhodopinol C40H58O2 570.443681 NA MeJP NA NA +MJ082021 Zeaxanthin; 7',8'-Dihydro C40H58O2 570.443681 NA MeJP NA NA +MJ082022 Spheroidene; 11',12'-Dihydro C41H62O 570.480066 NA MeJP NA NA +C15895 3,4-Dihydrospheroidene C41H62O 570.4801 NA KEGG NA NA +C15897 Fibrinogen binding inhibitor peptide C41H62O 570.4801 NA KEGG NA NA +C08217 Iopanoic acid C11H12I3NO2 570.8002 NA KEGG NA NA +C08218 Transferred to D01015 C11H12I3NO2 570.8002 NA KEGG NA NA +MJ082023 Iopanoic acid C11H12I3NO2 570.800208 NA MeJP NA NA +C03888 Oxidized Watasenia luciferin C25H21N3O9S2 571.0719 NA KEGG NA NA +C03889 Palmitoylphosphatidylcholine C25H49NO8PR 571.0719 NA KEGG NA NA +C03890 Peptide(N-Glu, Asp, Cystine) C15H23N4O10S2R 571.0719 NA KEGG NA NA +C03892 Phosphatidylglycerophosphate C8H14O13P2R2 571.0719 NA KEGG NA NA +C03893 Poly(alpha-L-1,4-guluronate) C8H14O13P2R2 571.0719 NA KEGG NA NA +MJ082024 Watasenia Oxyluciferin C25H21N3O9S2 571.07192 NA MeJP NA NA +MJ082025 2-Hydroxy-2-phenylethyl glucosinolate, 2-O-?-L-Arabinopyranoside C20H29NO14S2 571.102946 NA MeJP NA NA +MJ082026 4-Hydroxybenzyl glucosinolate; 4-O-?-L-Rhamnopyranoside C20H29NO14S2 571.102946 NA MeJP NA NA +MJ082027 Isoglucosinalbin; O-?-L-Rhamnopyranoside C20H29NO14S2 571.102946 NA MeJP NA NA +PJ006016 CCCDE C18H29N5O10S3 571.1077 NA PeJP NA NA +PJ006017 SCCEM C19H33N5O9S3 571.1441 NA PeJP NA NA +PJ006018 GCDDY C22H29N5O11S 571.1585 NA PeJP NA NA +PJ006019 PCCCF C23H33N5O6S3 571.1593 NA PeJP NA NA +MJ082028 Cyclochlorotine C24H31Cl2N5O7 571.160053 NA MeJP NA NA +MJ082029 Islanditoxin C24H31Cl2N5O7 571.160053 NA MeJP NA NA +PJ006020 GCMMM C20H37N5O6S4 571.1627 NA PeJP NA NA +PJ006021 SPCCY C23H33N5O8S2 571.1771 NA PeJP NA NA +PJ006022 STCMM C20H37N5O8S3 571.1804 NA PeJP NA NA +PJ006023 GDDEH C21H29N7O12 571.1875 NA PeJP NA NA +PJ006024 GSDMY C23H33N5O10S 571.1948 NA PeJP NA NA +PJ006025 DDHW C25H29N7O9 571.2027 NA PeJP NA NA +PJ006026 SPCEH C22H33N7O9S 571.2061 NA PeJP NA NA +PJ006027 TCYW C27H33N5O7S 571.2101 NA PeJP NA NA +PJ006028 SSSEY C23H33N5O12 571.2126 NA PeJP NA NA +PJ006029 QMMY C24H37N5O7S2 571.2135 NA PeJP NA NA +PJ006030 GNNMH C21H33N9O8S 571.2173 NA PeJP NA NA +PJ006031 GTEEH C22H33N7O11 571.2238 NA PeJP NA NA +PJ006032 CMRY C23H37N7O6S2 571.2247 NA PeJP NA NA +PJ006033 NEFY C27H33N5O9 571.2278 NA PeJP NA NA +PJ006034 GGEFY C27H33N5O9 571.2279 NA PeJP NA NA +PJ006035 GTTMY C24H37N5O9S 571.2312 NA PeJP NA NA +MJ082030 1-N-Amidino-1-N-demethyl-2-hydroxydestomycin A C20H37N5O14 571.2337 NA MeJP NA NA +PJ006036 SSNQH C21H33N9O10 571.2351 NA PeJP NA NA +PJ006037 TEHW C26H33N7O8 571.2391 NA PeJP NA NA +PJ006038 GVEMH C23H37N7O8S 571.2425 NA PeJP NA NA +PJ006039 GFYW C31H33N5O6 571.2431 NA PeJP NA NA +PJ006040 QMFF C28H37N5O6S 571.2465 NA PeJP NA NA +PJ006041 STTTY C24H37N5O11 571.249 NA PeJP NA NA +PJ006042 KMMY C25H41N5O6S2 571.2498 NA PeJP NA NA +PJ006043 EMHR C22H37N9O7S 571.2537 NA PeJP NA NA +PJ006044 VMHW C27H37N7O5S 571.2577 NA PeJP NA NA +PJ006045 SSLEH C23H37N7O10 571.2602 NA PeJP NA NA +PJ006046 AAHHH C24H33N11O6 571.2616 NA PeJP NA NA +PJ006047 VQYY C28H37N5O8 571.2642 NA PeJP NA NA +7848 NA YPFF~ 571.267 ACE inhibitor Inhouse_peptide NA peptide +PJ006048 PPVEM C25H41N5O8S 571.2676 NA PeJP NA NA +MJ082031 Butirosin A; 2S-Hydroxy C21H41N5O13 571.270086 NA MeJP NA NA +PJ006049 SSNKH C22H37N9O9 571.2714 NA PeJP NA NA +PJ006050 GPNER C22H37N9O9 571.2715 NA PeJP NA NA +PJ006051 AAPQW C27H37N7O7 571.2755 NA PeJP NA NA +MJ082032 Hetisan-2,3,11,13,14-pentol, 2-O-(2-Methylbutanoyl), 3,11,13-tri-Ac C31H41NO9 571.278131 NA MeJP NA NA +MJ082033 Pyroaconitine; N-De-Et, N-Me C31H41NO9 571.278131 NA MeJP NA NA +PJ006052 ATLMH C24H41N7O7S 571.2788 NA PeJP NA NA +PJ006053 GAPPCK C24H41N7O7S 571.2789 NA PeJP NA NA +HMDB05774 Endomorphin-2 C32H37N5O5 571.27948 http://www.hmdb.ca/metabolites/HMDB05774 HMDB NA NA +HMDB05774 Endomorphin-2 C32H37N5O5 571.27948 HMDB05774 PFEM_hmdb_metabocards_official NA NA +HMDB05774 Endomorphin-2 C32H37N5O5 571.27948 NA HMDB2010 NA NA +PJ006054 KMFF C29H41N5O5S 571.2829 NA PeJP NA NA +PJ006055 PVVEE C25H41N5O10 571.2854 NA PeJP NA NA +PJ006056 PNRW C26H37N9O6 571.2867 NA PeJP NA NA +PJ006057 GCKKH C23H41N9O6S 571.2901 NA PeJP NA NA +EUR917 Lyso PE 22:6 [M+FA-H]- C27H44NO7P 571.290422 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR917 Lyso PE 22:6 [M+FA-H]- C27H44NO7P 571.290422 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR917 Lyso PE 22:6 [M+FA-H]- C27H44NO7P 571.290422 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR917 Lyso PE 22:6 [M+FA-H]- C27H44NO7P 571.290422 masses lipides attendues Inhousejuil11 NA NA +PJ006058 TTTLH C24H41N7O9 571.2966 NA PeJP NA NA +PJ006059 VKYY C29H41N5O7 571.3006 NA PeJP NA NA +MJ082034 Butikacin C22H45N5O12 571.306471 NA MeJP NA NA +PJ006060 GPDKR C23H41N9O8 571.3078 NA PeJP NA NA +PJ006061 AAPKW C28H41N7O6 571.3119 NA PeJP NA NA +MJ082035 Browniine; O14-Benzoyl C32H45NO8 571.314517 NA MeJP NA NA +MJ082036 Senbusine A; O1-Me, 14-O-(4-methoxybenzoyl) C32H45NO8 571.314517 NA MeJP NA NA +PJ006062 PPCKK C25H45N7O6S 571.3152 NA PeJP NA NA +PJ006063 GSPRR C22H41N11O7 571.3191 NA PeJP NA NA +PJ006064 PTLLE C26H45N5O9 571.3217 NA PeJP NA NA +PJ006065 LHFR C27H41N9O5 571.3231 NA PeJP NA NA +PJ006066 APKKE C25H45N7O8 571.333 NA PeJP NA NA +MJ082037 Nummularine P; N?-Me C30H45N5O6 571.336984 NA MeJP NA NA +PJ006067 PPVLF C30H45N5O6 571.337 NA PeJP NA NA +PJ006068 PVLLM C27H49N5O6S 571.3404 NA PeJP NA NA +PJ006069 APTKR C24H45N9O7 571.3442 NA PeJP NA NA +MJ082038 Veratramine; 20-Epimer, O23-?-D-glucopyranoside C33H49NO7 571.350902 NA MeJP NA NA +MJ082039 Veratramine; O3-?-D-Glucopyranoside C33H49NO7 571.350902 NA MeJP NA NA +PJ006070 LQRR C23H45N11O6 571.3555 NA PeJP NA NA +PJ006071 VVLLE C27H49N5O8 571.3581 NA PeJP NA NA +MJ082040 Fellutamide A C27H49N5O8 571.358113 NA MeJP NA NA +MJ082041 Tabilautide C27H49N5O8 571.358113 NA MeJP NA NA +EUR750 Lyso PC 20:1 [M+Na]+ C28H56NO7P 571.361388 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR750 Lyso PC 20:1 [M+Na]+ C28H56NO7P 571.361388 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR750 Lyso PC 20:1 [M+Na]+ C28H56NO7P 571.361388 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR750 Lyso PC 20:1 [M+Na]+ C28H56NO7P 571.361388 masses lipides attendues Inhousejuil11 NA NA +HMDB10401 LysoPC(22:4(7Z,10Z,13Z,16Z)) C30H54NO7P 571.36377 NA HMDB2010 NA NA +EUR591 LysoPC(22:4) NA 571.363775 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR591 LysoPC(22:4) [M+H]+ 571.363775 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR591 LysoPC(22:4) NA 571.363775 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR591 LysoPC(22:4) [M+H]+ 571.363775 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR591 LysoPC(22:4) NA 571.363775 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR591 LysoPC(22:4) [M+H]+ 571.363775 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR591 LysoPC(22:4) NA 571.363775 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR591 LysoPC(22:4) NA 571.363775 identifiés dans sérum NuGO HMDB NA NA +EUR591 LysoPC(22:4) NA 571.363775 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR591 LysoPC(22:4) [M+H]+ 571.363775 identifies dans serum NuGO Inhousejuil11 NA NA +EUR591 LysoPC(22:4) NA 571.363775 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR591 LysoPC(22:4) NA 571.363775 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR784 Lyso PC 22:4 monoisotopic mass C30H54NO7P 571.363792 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR784 Lyso PC 22:4 monoisotopic mass C30H54NO7P 571.363792 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR784 Lyso PC 22:4 monoisotopic mass C30H54NO7P 571.363792 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR784 Lyso PC 22:4 monoisotopic mass C30H54NO7P 571.363792 masses lipides attendues Inhousejuil11 NA NA +MJ082042 PC-M4 C37H49NO4 571.366159 NA MeJP NA NA +PJ006072 SPLKK C26H49N7O7 571.3694 NA PeJP NA NA +PJ006073 GVLKR C25H49N9O6 571.3806 NA PeJP NA NA +PJ006074 LKRR C24H49N11O5 571.3918 NA PeJP NA NA +PJ006075 TLLLL C28H53N5O7 571.3945 NA PeJP NA NA +PJ006076 ALLKK C27H53N7O6 571.4058 NA PeJP NA NA +MJ082043 Plakoridine A C35H57NO5 571.423673 NA MeJP NA NA +MJ082044 3,5-Diacyl-1,4-dihydro-4-nonylpyridines; 3,5-Didodecanoyl-1,4-dihydro-4-nonylpyridine C38H69NO2 571.53283 NA MeJP NA NA +3078 hemorphin-8 YPWTQRFF 571.768 MH2+ Inhouse_peptide NA peptide +MJ082045 Iophenoic acid C11H11I3O3 571.784224 NA MeJP NA NA +MJ082046 Dibromotetrakis(dimethyl sulfoxide)ruthenium(II) C8H24Br2O4RuS4 571.796766 NA MeJP NA NA +MJ082047 Dichlorobis(1-phenyl-1,3-butanedionato-O,O')hafnium(IV) C20H18Cl2HfO4 572.004763 NA MeJP NA NA +MJ082048 Hypericin; 2,5-Dichloro C30H14Cl2O8 572.006572 NA MeJP NA NA +MJ082049 Fangchinoline, Isomorph C37H4N2O6 572.006935 NA MeJP NA NA +FL5FADGSS001 Isorhamnetin 3-glucuronide-7-sulfate C22H20O16S 572.0472 56857-63-7 knapsack NA NA +MJ082050 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Glucuronopyranoside, 7-O-sulfate C22H20O16S 572.047205 NA MeJP NA NA +MJ082051 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-(O-Sulfo-?-D-glucopyranoside) C23H24O15S 572.08359 NA MeJP NA NA +MJ082052 3',3''',4',4'',5,5'',7,7''-Octahydroxy-2',8''-biflavone; 2'',3''-Dihydro C30H20O12 572.095476 NA MeJP NA NA +MJ082053 3',3''',4',4'',5,5'',7,7''-Octahydroxy-2',8''-biflavone; 2,3-Dihydro (2S-) C30H20O12 572.095476 NA MeJP NA NA +MJ082054 3,3'',4',4''',5,5'',7,7''-Octahydroxy-3',3'''-biflavone; 2,3-Dihydro C30H20O12 572.095476 NA MeJP NA NA +MJ082055 Amentoflavone; 2'',3''-Dihydro, 3',5'''-dihydroxy (S-) C30H20O12 572.095476 NA MeJP NA NA +MJ082056 Campylopusaurone C30H20O12 572.095476 NA MeJP NA NA +MJ082057 Dicranolomin; 2,3-Dihydro C30H20O12 572.095476 NA MeJP NA NA +MJ082058 Ephedrannin A; 3'''-Hydroxy C30H20O12 572.095476 NA MeJP NA NA +MJ082059 Hegoflavone A; 3'-Hydroxy C30H20O12 572.095476 NA MeJP NA NA +MJ082060 Lumiluteoskyrin C30H20O12 572.095476 NA MeJP NA NA +MJ082061 Morelloflavone, 3''-Hydroxy C30H20O12 572.095476 NA MeJP NA NA +MJ082062 Robustaflavone; 3',5'''-Dihydroxy, 2'',3''-dihydro C30H20O12 572.095476 NA MeJP NA NA +MJ082063 Robustaflavone; 3',5'''-Dihydroxy, 2,3-dihydro C30H20O12 572.095476 NA MeJP NA NA +MJ082064 Xanthomegnin; 3,4-Didehydro C30H20O12 572.095476 NA MeJP NA NA +MJ082065 Yunnaneic acid E C27H24O14 572.116605 NA MeJP NA NA +PJ006077 CCCNM C18H32N6O7S4 572.1216 NA PeJP NA NA +MJ082066 Antibiotic A 80915D C26H31Cl3N2O6 572.124769 NA MeJP NA NA +MJ082067 6-C-Methylandroyol C31H24O11 572.131861 NA MeJP NA NA +MJ082068 Guibourtinidol-(3'?4')-ent-epimopanone C31H24O11 572.131861 NA MeJP NA NA +MJ082069 Xanthoquinodin A1 C31H24O11 572.131861 NA MeJP NA NA +MJ082070 Xanthoquinodin A3 C31H24O11 572.131861 NA MeJP NA NA +MJ082071 Xanthoquinodin B1 C31H24O11 572.131861 NA MeJP NA NA +MJ082072 Xanthoquinodin B3 C31H24O11 572.131861 NA MeJP NA NA +PJ006078 GSTCCC C18H32N6O9S3 572.1393 NA PeJP NA NA +MJ082073 3',4,4',5,6',7-Hexahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4'-Methylene, 4,5,7-tri-Me ether, 6'-O-?-D-glucopyranoside C28H28O13 572.15299 NA MeJP NA NA +MJ082074 4',6,7-Trihydroxyisoflavone; 6-Me ether, 7-O-(2,4,6-tri-O-acetyl-?-D-glucopyranoside) C28H28O13 572.15299 NA MeJP NA NA +MJ082075 Diphyllin; 6'-O-[?-D-Glucopyranosyloxy], Me ether C28H28O13 572.15299 NA MeJP NA NA +PJ006079 SSSSCC C18H32N6O11S2 572.1571 NA PeJP NA NA +MJ082076 6-Chloro-11,20-epoxy-2,8,9,12,13,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 2,9,13-Tri-Ac C26H33ClO12 572.166054 NA MeJP NA NA +MJ082077 6-(2',3',4',7-Tetrahydroxyisoflavan-4-yl)-4',5,7-trihydroxyflavanone, 2''',4'''-Di-Me ether C32H28O10 572.168247 NA MeJP NA NA +MJ082078 Candicanin C32H28O10 572.168247 NA MeJP NA NA +MJ082079 Cyclorivulobirin A C32H28O10 572.168247 NA MeJP NA NA +MJ082080 Fesumtuorin D C32H28O10 572.168247 NA MeJP NA NA +MJ082081 Fesumtuorin G; 12,13-Dideoxy, 12,13-epoxide C32H28O10 572.168247 NA MeJP NA NA +MJ082082 Rivulobirin A C32H28O10 572.168247 NA MeJP NA NA +MJ082083 Rivulobirin C; 2,2'-Diepimer, 2'',3''-dideoxy, 2'',3''-epoxide C32H28O10 572.168247 NA MeJP NA NA +PJ006080 GCCQY C22H32N6O8S2 572.1723 NA PeJP NA NA +PJ006081 PCCNH C21H32N8O7S2 572.1836 NA PeJP NA NA +FLIF1LGF0001 Amorphigenin O-glucoside C29H32O12 572.18937 23708-98-7 knapsack NA NA +MJ082084 15-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,8-diolide, 15-O-[6-O-(4-Hydroxyphenylacetyl)-?-D-glucopyranoside] C29H32O12 572.189376 NA MeJP NA NA +MJ082085 8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(4-Hydroxyphenylacetyl), 15-O-?-D-glucopyranoside C29H32O12 572.189376 NA MeJP NA NA +MJ082086 Aloesinol, 7-Me ether, 2''-O-(3,4-dihydroxycinnamoyl)(E-) C29H32O12 572.189376 NA MeJP NA NA +MJ082087 Amorphigenin; O-?-D-Glucopyranoside C29H32O12 572.189376 NA MeJP NA NA +MJ082088 Dalpanol; 6a,12a-Didehydro, O-?-D-glucopyranoside C29H32O12 572.189376 NA MeJP NA NA +MJ082089 Vertisporin; 7',8'-Didehydro, 2',3';9?,10?-diepoxide, 14'-ketone C29H32O12 572.189376 NA MeJP NA NA +PJ006082 SSCNY C22H32N6O10S 572.1901 NA PeJP NA NA +PJ006083 EMMY C24H36N4O8S2 572.1975 NA PeJP NA NA +MJ082090 5S-Carboxystrictosidine; 3,4-Didehydro C28H32N2O11 572.200609 NA MeJP NA NA +MJ082091 Rubenine C28H32N2O11 572.200609 NA MeJP NA NA +PJ006084 GNDMH C21H32N8O9S 572.2013 NA PeJP NA NA +MJ082092 4-(6',7-Dihydroxy-4'-methoxyisoflavan-3'-yl)-2',7-dihydroxy-4'-methoxyisoflavan, 3'-Hydroxy, 2'-Me ether C33H32O9 572.204632 NA MeJP NA NA +MJ082093 4-(6',7-Dihydroxy-4'-methoxyisoflavan-3'-yl)-2',7-dihydroxy-4'-methoxyisoflavan, 5'-Methoxy C33H32O9 572.204632 NA MeJP NA NA +PJ006085 GCCKY C23H36N6O7S2 572.2087 NA PeJP NA NA +MJ082094 Eurycomanol; 2-O-?-D-Glucopyranoside C26H36O14 572.210505 NA MeJP NA NA +MJ082095 Glaucarubol; 18-Hydroxy, 2-ketone, 15-O-?-D-glucopyranoside C26H36O14 572.210505 NA MeJP NA NA +MJ082096 Iridolinarin B C26H36O14 572.210505 NA MeJP NA NA +MJ082097 Jasminin; 2''?-Hydroxy, carboxylic acid C26H36O14 572.210505 NA MeJP NA NA +MJ082098 Peucedanol, 7-Me ether, 3'-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C26H36O14 572.210505 NA MeJP NA NA +PJ006086 DEFY C27H32N4O10 572.2119 NA PeJP NA NA +PJ006087 CQHW C25H32N8O6S 572.2166 NA PeJP NA NA +PJ006088 SSNEH C21H32N8O11 572.2191 NA PeJP NA NA +PJ006089 NNYY C26H32N6O9 572.2231 NA PeJP NA NA +MJ082099 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-O-(4-Methoxyphenylacetyl), 3-O-?-D-glucopyranoside C30H36O11 572.225761 NA MeJP NA NA +MJ082100 Affinoside A; 16,17-Didehydro C30H36O11 572.225761 NA MeJP NA NA +MJ082101 Anodendroside A C30H36O11 572.225761 NA MeJP NA NA +MJ082102 Cerberalignan F C30H36O11 572.225761 NA MeJP NA NA +MJ082103 Cerberalignan J C30H36O11 572.225761 NA MeJP NA NA +MJ082104 Isonimbinolide C30H36O11 572.225761 NA MeJP NA NA +MJ082105 Kadsurarin C30H36O11 572.225761 NA MeJP NA NA +MJ082106 Nimbin; 21,23-Dihydro, 21-oxo, 23?-hydroxy C30H36O11 572.225761 NA MeJP NA NA +MJ082107 Orbicuside B; 12-Ketone, 6?-hydroxy C30H36O11 572.225761 NA MeJP NA NA +PJ006090 PPNDM C23H36N6O9S 572.2265 NA PeJP NA NA +MJ082108 Cryptophycin 6 C30H37ClN2O7 572.228929 NA MeJP NA NA +PJ006091 PMYY C28H36N4O7S 572.2305 NA PeJP NA NA +PJ006092 GSSHW C25H32N8O8 572.2343 NA PeJP NA NA +7716 NA NWGQFHGGWG 572.23445 MH2+ Inhouse_peptide NA peptide +MJ082109 Strictosidine; 3-Epimer, N4-Ac C29H36N2O10 572.236995 NA MeJP NA NA +PJ006093 GTQMH C22H36N8O8S 572.2377 NA PeJP NA NA +MJ082110 5,6,7-Trihydroxy-19-vouacapanoic acid, 6,7-Dibenzoyl C34H36O8 572.241018 NA MeJP NA NA +PJ006094 APPCW C27H36N6O6S 572.2417 NA PeJP NA NA +PJ006095 APQEE C23H36N6O11 572.2442 NA PeJP NA NA +MJ082111 Hastatoside; 8-Epimer, 6?-alcohol, 6-O-(8-hydroxy-2,6-dimethyl-2E,6E-octadienoyl) C27H40O13 572.246891 NA MeJP NA NA +MJ082112 Jaspofoliamoside E; 6'-Deacyl C27H40O13 572.246891 NA MeJP NA NA +PJ006096 VEYY C28H36N4O9 572.2482 NA PeJP NA NA +PJ006097 GTCHR C21H36N10O7S 572.2489 NA PeJP NA NA +PJ006098 CKHW C26H36N8O5S 572.253 NA PeJP NA NA +PJ006099 GPDER C22H36N8O10 572.2555 NA PeJP NA NA +PJ006100 AAPEW C27H36N6O8 572.2595 NA PeJP NA NA +MJ082113 1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 1-Benzoyl, 2,3-di-Ac C31H40O10 572.262147 NA MeJP NA NA +MJ082114 11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 9-Benzoyl, 2,7-di-Ac C31H40O10 572.262147 NA MeJP NA NA +MJ082115 17-Hydroxyingenol; 3-Angeloyl, 5,17,20-tri-Ac C31H40O10 572.262147 NA MeJP NA NA +MJ082116 3,5,7,8,14,15-Hexahydroxy-6(17),11-jatrophadien-9-one, 3-Benzoyl, 5,7-di-Ac C31H40O10 572.262147 NA MeJP NA NA +MJ082117 5,20-Epoxy-11-taxene-1,2,4,7,9,10-hexol, 2-Benzoyl, 4,10-di-Ac C31H40O10 572.262147 NA MeJP NA NA +MJ082118 5,6;12,15-Diepoxy-3,7,9,11,14-jatrophanepentol, 11-Ketone, 3-benzoyl, 7,9-di-Ac C31H40O10 572.262147 NA MeJP NA NA +MJ082119 Detigloylswietenine; 8?,30?-Epoxide, 3-(2-methylpropanoyl) C31H40O10 572.262147 NA MeJP NA NA +MJ082120 EP1; 15?-Acetoxy, 2-Deacetoxy, 3-Ac C31H40O10 572.262147 NA MeJP NA NA +MJ082121 Elaeodendroside D; 16?-Acetoxy C31H40O10 572.262147 NA MeJP NA NA +MJ082122 Gomphoside; 3'-Epimer, 19-oxo, 5,6-didehydro, 3'-Ac C31H40O10 572.262147 NA MeJP NA NA +MJ082123 Tyledoside F; 2'-Ketone C31H40O10 572.262147 NA MeJP NA NA +PJ006101 PPTQM C24H40N6O8S 572.2629 NA PeJP NA NA +PJ006102 PFFY C32H36N4O6 572.2635 NA PeJP NA NA +PJ006103 SSSHR C21H36N10O9 572.2667 NA PeJP NA NA +PJ006104 LMFY C29H40N4O6S 572.2669 NA PeJP NA NA +PJ006105 PDRW C26H36N8O7 572.2707 NA PeJP NA NA +MJ082124 Lycoctonine; 18-O-(2-Aminobenzoyl), 19-oxo, N-de-Et C30H40N2O9 572.27338 NA MeJP NA NA +7340 celiac sprue gluten epitope from gamma-gliadin QQTYPQRPQ 572.2735 MH2+ Inhouse_peptide NA peptide +PJ006106 PPTCR C23H40N8O7S 572.2741 NA PeJP NA NA +MJ082125 1,2,9-Trihydroxydihydro-?-agarofuran, 2,9-Dicinnamoyl, 1-Ac C35H40O7 572.277403 NA MeJP NA NA +PJ006107 APKEE C24H40N6O10 572.2806 NA PeJP NA NA +PJ006108 NHFR C25H36N10O6 572.282 NA PeJP NA NA +MJ082126 Nigakihemiacetal A; 16-O-?-D-Glucopyranoside(16?-) C28H44O12 572.283276 NA MeJP NA NA +PJ006109 STTKH C23H40N8O9 572.2918 NA PeJP NA NA +PJ006110 APTER C23H40N8O9 572.2919 NA PeJP NA NA +PJ006111 GPTLW C28H40N6O7 572.2959 NA PeJP NA NA +MJ082127 3,7,12-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid, 7-Ketone, 12-Ac C32H44O9 572.298533 NA MeJP NA NA +MJ082128 Piscidinol D; 7-Ketone C32H44O9 572.298533 NA MeJP NA NA +PJ006112 PPTKM C25H44N6O7S 572.2992 NA PeJP NA NA +PJ006113 GGPVLM C25H44N6O7S 572.2993 NA PeJP NA NA +MJ082129 4-Amino-?-[[3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]benzenebutanoic acid C33H40N4O5 572.29987 NA MeJP NA NA +PJ006114 LFFF C33H40N4O5 572.2999 NA PeJP NA NA +PJ006115 AAQQR C22H40N10O8 572.3031 NA PeJP NA NA +3653 NA DKPTL 572.3039 ACE inhibitor Inhouse_peptide NA peptide +PJ006116 GPPFR C27H40N8O6 572.3071 NA PeJP NA NA +MJ082130 Delectinine; O18-(2-Aminobenzoyl) C31H44N2O8 572.309766 NA MeJP NA NA +MJ082131 Lycoctonine; 18-O-(2-Aminobenzoyl), O6-de-Me C31H44N2O8 572.309766 NA MeJP NA NA +MJ082132 Schizanthine X C31H44N2O8 572.309766 NA MeJP NA NA +PJ006117 GPLMR C24H44N8O6S 572.3105 NA PeJP NA NA +PJ006118 NQRR C21H40N12O7 572.3143 NA PeJP NA NA +PJ006119 SPLKE C25H44N6O9 572.317 NA PeJP NA NA +PJ006120 GVLER C24H44N8O8 572.3282 NA PeJP NA NA +PJ006121 GGGAALK C24H44N8O8 572.3283 NA PeJP NA NA +PJ006122 AALLW C29H44N6O6 572.3323 NA PeJP NA NA +MJ082133 1-(9-Methylhexadecyl)lysoplasmanylinositol C26H53O11P 572.332549 NA MeJP NA NA +C11953 6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2b'' aglycone C33H48O8 572.3349 NA KEGG NA NA +MJ082134 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Octanoyl, 12-tigloyl C33H48O8 572.334918 NA MeJP NA NA +MJ082135 Milbemycin ?3; 26-Hydroxy, 5-Me ether C33H48O8 572.334918 NA MeJP NA NA +MJ082136 Vilasinin; 20,21,22,23-Tetrahydro, 21?-hydroxy, 1-tigloyl, 3-Ac C33H48O8 572.334918 NA MeJP NA NA +PJ006123 PVVKM C26H48N6O6S 572.3356 NA PeJP NA NA +PJ006124 LERR C23H44N10O7 572.3395 NA PeJP NA NA +PJ006125 VLRW C28H44N8O5 572.3435 NA PeJP NA NA +MJ082137 Spinuloplagin A C37H48O5 572.350174 NA MeJP NA NA +MJ082138 Spinuloplagin B C37H48O5 572.350174 NA MeJP NA NA +PJ006126 NKRR C22H44N12O6 572.3507 NA PeJP NA NA +MJ082139 Geissolosimine C38H44N4O 572.351512 NA MeJP NA NA +MJ082140 Longicaudatine Z; 17'-Deoxy, 16',17'-didehydro, 19,20?-dihydro C38H44N4O 572.351512 NA MeJP NA NA +PJ006127 ALLKE C26H48N6O8 572.3534 NA PeJP NA NA +PJ006128 ATLLR C25H48N8O7 572.3646 NA PeJP NA NA +HMDB10344 Vitamin D2 3-glucuronide C34H52O7 572.371277 NA HMDB2010 NA NA +MJ082141 1,3,22-Trihydroxy-20(29)-lupen-26-oic acid, 1,3-Di-Ac C34H52O7 572.371304 NA MeJP NA NA +MJ082142 12,20-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Hydroxybutanoyl), 20-propanoyl C34H52O7 572.371304 NA MeJP NA NA +MJ082143 12,20-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Hydroxypentanoyl), 20-Ac C34H52O7 572.371304 NA MeJP NA NA +MJ082144 12,20-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Hydroxybutanoyl), 20-propanoyl C34H52O7 572.371304 NA MeJP NA NA +MJ082145 12,20-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Hydroxypentanoyl), 20-Ac C34H52O7 572.371304 NA MeJP NA NA +MJ082146 2,3,23-Trihydroxy-12-ursen-28-oic acid, 2,23-Di-Ac C34H52O7 572.371304 NA MeJP NA NA +MJ082147 3,6,19-Trihydroxy-12-ursen-28-oic acid, 3,6-Di-Ac C34H52O7 572.371304 NA MeJP NA NA +MJ082148 3,7,15-Trihydroxylanosta-8,24-dien-26-oic acid, 3,15-Di-Ac C34H52O7 572.371304 NA MeJP NA NA +MJ082149 3,7,15-Trihydroxylanosta-8,24-dien-26-oic acid, 3,7-Di-Ac C34H52O7 572.371304 NA MeJP NA NA +MJ082150 Ergosta-5,24(28)-diene-2,3,15,18-tetrol, 2,15,18-Tri Ac C34H52O7 572.371304 NA MeJP NA NA +MJ082151 Milbemycin E C34H52O7 572.371304 NA MeJP NA NA +MJ082152 Quercinic acid; 3-Carboxyacetyl C34H52O7 572.371304 NA MeJP NA NA +PJ006129 AAKKR C24H48N10O6 572.3759 NA PeJP NA NA +MJ082153 Nephilatoxin 1; Deoxy C29H48N8O4 572.379852 NA MeJP NA NA +MJ082154 Fusarochromanone; 3'-N-Ac, 4'-O-(14-methylpentadecanoyl) C33H52N2O6 572.382537 NA MeJP NA NA +MJ082155 Actinioerythrol; Dialcohol C38H52O4 572.38656 NA MeJP NA NA +MJ082156 Antibiotic IC 202A C27H52N6O7 572.389748 NA MeJP NA NA +PJ006130 SLLLK C27H52N6O7 572.3898 NA PeJP NA NA +PJ006131 GLKKK C26H52N8O6 572.401 NA PeJP NA NA +MJ082157 12-Oleanene-3,15,16,22,28-pentol, 22-Angeloyl C35H56O6 572.407689 NA MeJP NA NA +MJ082158 12-Oleanene-3,15,16,22,28-pentol, 22-O-(2-Methyl-2-butenoyl) C35H56O6 572.407689 NA MeJP NA NA +MJ082159 12-Oleanene-3,15,16,22,28-pentol, 22-O-(3-Methyl-2-butenoyl) C35H56O6 572.407689 NA MeJP NA NA +MJ082160 12-Oleanene-3,15,16,22,28-pentol, 28-Angeloyl C35H56O6 572.407689 NA MeJP NA NA +MJ082161 12-Oleanene-3,16,21,22,28-pentol, 21-Angeloyl C35H56O6 572.407689 NA MeJP NA NA +MJ082162 12-Oleanene-3,16,21,22,28-pentol, 21-Tigloyl C35H56O6 572.407689 NA MeJP NA NA +MJ082163 12-Oleanene-3,16,21,22,28-pentol, 22-(3-Methyl-2-butenoyl) C35H56O6 572.407689 NA MeJP NA NA +MJ082164 12-Oleanene-3,16,21,22,28-pentol, 22-Angeloyl C35H56O6 572.407689 NA MeJP NA NA +MJ082165 Skimmiarepin A C35H56O6 572.407689 NA MeJP NA NA +MJ082166 Stigmasta-5,22,25-trien-3-ol, 3-O-?-D-Galactopyranoside C35H56O6 572.407689 NA MeJP NA NA +MJ082167 Stigmasta-7,22,25-trien-3-ol, O-?-D-Glucopyranoside C35H56O6 572.407689 NA MeJP NA NA +MJ082168 12-Oleanen-3-ol, O-(4-Hydroxy-E-cinnamoyl) C39H56O3 572.422945 NA MeJP NA NA +MJ082169 12-Oleanen-3-ol, O-(4-Hydroxy-Z-cinnamoyl) C39H56O3 572.422945 NA MeJP NA NA +MJ082170 12-Ursen-3-ol, 4-Hydroxycinnamoyl(E-) C39H56O3 572.422945 NA MeJP NA NA +MJ082171 12-Ursen-3-ol, 4-Hydroxycinnamoyl(Z-) C39H56O3 572.422945 NA MeJP NA NA +MJ082172 14-Taraxeren-3-ol, O-(4-Hydroxycinnamoyl)(E-) C39H56O3 572.422945 NA MeJP NA NA +MJ082173 14-Taraxeren-3-ol, O-(4-Hydroxycinnamoyl)(Z-) C39H56O3 572.422945 NA MeJP NA NA +MJ082174 20(29)-Lupen-3-ol, 4-Hydroxycinnamoyl C39H56O3 572.422945 NA MeJP NA NA +MJ082175 Cycloart-24-en-3-ol, 3-O-(4-Hydroxycinnamoyl) (E-) C39H56O3 572.422945 NA MeJP NA NA +MJ082176 20(29)-Lupen-3-ol, O-?-L-Rhamnopyranoside C36H60O5 572.444075 NA MeJP NA NA +C07551 Pancuronium C35H60N2O4 572.4553 NA KEGG NA NA +MJ082177 1,1',2,2'-Tetrahydro-1,1'-dihydroxylycopene C40H60O2 572.459331 NA MeJP NA NA +MJ082178 5,5',6,6'-Tetrahydro-?,?-carotene-4,4'-diol C40H60O2 572.459331 NA MeJP NA NA +MJ082179 Kitol A C40H60O2 572.459331 NA MeJP NA NA +MJ082180 Zeaxanthin; 7,7',8,8'-Tetrahydro C40H60O2 572.459331 NA MeJP NA NA +HMDB03071 5,6-dihydro-5,6-dihydroxy-y,y-Carotene C40H60O2 572.45935 http://www.hmdb.ca/metabolites/HMDB03071 HMDB NA NA +HMDB03071 5,6-dihydro-5,6-dihydroxy-y,y-Carotene C40H60O2 572.45935 HMDB03071 PFEM_hmdb_metabocards_official NA NA +HMDB03071 5,6-Dihydro-5,6-dihydroxy-y,y-carotene C40H60O2 572.459351 NA HMDB2010 NA NA +MJ082181 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Heptacosyl ester C37H64O4 572.48046 NA MeJP NA NA +MJ082182 Coriacyclodienin C37H64O4 572.48046 NA MeJP NA NA +MJ082183 Dieporeticenin C37H64O4 572.48046 NA MeJP NA NA +MJ082184 Spheroidene; 3,4,11',12'-Tetrahydro C41H64O 572.495716 NA MeJP NA NA +MJ082185 2-(4-Hydroxyphenyl)ethanol; 1-O-Triacontanoyl C38H68O3 572.516846 NA MeJP NA NA +3586 heparin-binding peptide WQARMKKAGA 572.7992 MH2+ Inhouse_peptide NA peptide +MJ082186 Purpuramine C C25H26Br2N3O3(+) 573.026267 NA MeJP NA NA +C05136 GDP-3,6-dideoxy-D-galactose C16H25N5O14P2 573.0873 NA KEGG NA NA +MJ082187 Guanosine diphosphate colitose C16H25N5O14P2 573.087323 NA MeJP NA NA +PJ006132 CCCDM C18H31N5O8S4 573.1056 NA PeJP NA NA +MJ082188 Biotinyl-5'-AMP C20H28N7O9PS 573.140682 NA MeJP NA NA +MetaCyc03878 bio-5'-AMP [biotinyl-5'-adenylate;] C20H28N7O9P1S1 573.140683 NA metacyc NA NA +HMDB04220 Biotinyl-5'-AMP C20H28N7O9PS 573.140686 NA HMDB2010 NA NA +HMDB04220 Biotinyl-5'-AMP C20H28N7O9PS 573.14069 http://www.hmdb.ca/metabolites/HMDB04220 HMDB NA NA +HMDB04220 Biotinyl-5'-AMP C20H28N7O9PS 573.14069 HMDB04220 PFEM_hmdb_metabocards_official NA NA +C05921 Biotinyl-5'-AMP C20H28N7O9PS 573.1407 NA KEGG NA NA +PJ006133 SCCMM C19H35N5O7S4 573.142 NA PeJP NA NA +PJ006134 GCCEY C22H31N5O9S2 573.1563 NA PeJP NA NA +PJ006135 PCCDH C21H31N7O8S2 573.1676 NA PeJP NA NA +MJ082189 Pancratistatin, 1-O-(3-?-D-Glucopyranosyloxybutanoyl) C24H31NO15 573.169369 NA MeJP NA NA +PJ006136 CCYW C26H31N5O6S2 573.1716 NA PeJP NA NA +MJ082190 N-?-Alanyl-5-(S-glutathionyl)-3,4-dihydroxyphenylalanine C22H31N5O11S 573.174077 NA MeJP NA NA +PJ006137 SSCDY C22H31N5O11S 573.1741 NA PeJP NA NA +PJ006138 ACCMF C23H35N5O6S3 573.175 NA PeJP NA NA +MJ082191 Antibiotic GPIyl C28H31NO12 573.184625 NA MeJP NA NA +PJ006139 GDDMH C21H31N7O10S 573.1853 NA PeJP NA NA +PJ006140 GTCMY C23H35N5O8S2 573.1927 NA PeJP NA NA +PJ006141 SCNNH C20H31N9O9S 573.1966 NA PeJP NA NA +PJ006142 CEHW C25H31N7O7S 573.2006 NA PeJP NA NA +PJ006143 SSDEH C21H31N7O12 573.2031 NA PeJP NA NA +PJ006144 SPCMH C22H35N7O7S2 573.204 NA PeJP NA NA +MetaCyc03879 THF-L-glutamate [tetrahydrofolate glutamate;] C24H29N8O9 573.20575 NA metacyc NA NA +PJ006145 NDYY C26H31N5O10 573.2071 NA PeJP NA NA +PJ006146 SSSMY C23H35N5O10S 573.2105 NA PeJP NA NA +2877 opioid fragment of beta-lipotropin M-enkephalin YGGFM 573.2134 antibacterial Inhouse_peptide NA peptide +7853 NA YGGFM 573.2134 ACE inhibitor Inhouse_peptide NA peptide +8123 secretory peptide hormone - (Met)enkephalin YGGFM 573.2134 anticancer Inhouse_peptide NA peptide +PJ006147 GTEMH C22H35N7O9S 573.2217 NA PeJP NA NA +C13851 BRL 32872 C29H35N3O7 573.2242 NA KEGG NA NA +C11684 MET-enkephalin C27H35N5O7S 573.2257 NA KEGG NA NA +PJ006148 NMFY C27H35N5O7S 573.2257 NA PeJP NA NA +PJ006149 PVDDE C23H35N5O12 573.2282 NA PeJP NA NA +PJ006150 APEEE C23H35N5O12 573.2283 NA PeJP NA NA +MJ082192 Kidamycin; 8-Deglycosyl, 4''-Ac C33H35NO8 573.236267 NA MeJP NA NA +PJ006151 TMHW C26H35N7O6S 573.237 NA PeJP NA NA +PJ006152 STTEH C22H35N7O11 573.2395 NA PeJP NA NA +PJ006153 GVMMH C23H39N7O6S2 573.2403 NA PeJP NA NA +PJ006154 ACLMH C23H39N7O6S2 573.2404 NA PeJP NA NA +PJ006155 GSHHH C23H31N11O7 573.2408 NA PeJP NA NA +MJ082193 Butirosin A; 3'-Deoxy, 3'-chloro C21H40ClN5O11 573.241284 NA MeJP NA NA +PJ006156 TQYY C27H35N5O9 573.2435 NA PeJP NA NA +PJ006157 PPTEM C24H39N5O9S 573.2469 NA PeJP NA NA +PJ006158 GNQQQ C21H35N9O10 573.2507 NA PeJP NA NA +PJ006159 MMHR C22H39N9O5S2 573.2516 NA PeJP NA NA +PJ006160 GSPQW C26H35N7O8 573.2547 NA PeJP NA NA +MJ082194 Alkaloid GB11; 13?-Acetoxy, Di-Ac C30H39NO10 573.257396 NA MeJP NA NA +PJ006161 SSLMH C23H39N7O8S 573.2581 NA PeJP NA NA +PJ006162 NFFF C31H35N5O6 573.2588 NA PeJP NA NA +PJ006163 GNNNR C20H35N11O9 573.2619 NA PeJP NA NA +PJ006164 GGGNNR C20H35N11O9 573.262 NA PeJP NA NA +MJ082195 N-[3-[1,1'-Biphenyl]-4-yl-N-(3,5-dimethylbenzoyl)-N-methyl-D-alanyl]-L-tryptophan C36H35N3O4 573.262756 NA MeJP NA NA +PJ006165 SPLEE C24H39N5O11 573.2646 NA PeJP NA NA +PJ006166 PPVMM C25H43N5O6S2 573.2655 NA PeJP NA NA +PJ006167 DHFR C25H35N9O7 573.266 NA PeJP NA NA +8156 ACE inhibitor from b-CN (180-197) YPQRDMPIQ 573.26765 MH2+ Inhouse_peptide NA peptide +PJ006168 GPNMR C22H39N9O7S 573.2693 NA PeJP NA NA +PJ006169 GGGPMR C22H39N9O7S 573.2694 NA PeJP NA NA +PJ006170 SPNKE C23H39N7O10 573.2759 NA PeJP NA NA +MJ082196 Uscharin; 19-Deoxo C31H43NO7S 573.276023 NA MeJP NA NA +C03183 Z-Gly-Pro-Leu-Gly-Pro C28H39N5O8 573.2799 NA KEGG NA NA +PJ006171 TKYY C28H39N5O8 573.2799 NA PeJP NA NA +PJ006172 PVVEM C25H43N5O8S 573.2833 NA PeJP NA NA +PJ006173 AAQER C22H39N9O9 573.2871 NA PeJP NA NA +PJ006174 GSPKW C27H39N7O7 573.2911 NA PeJP NA NA +MJ082197 4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O1,O6,O16,O18,N-Penta-Me, 14-benzoyl C31H43NO9 573.293781 NA MeJP NA NA +MJ082198 Anopterine; 4',7?-Dihydroxy C31H43NO9 573.293781 NA MeJP NA NA +MJ082199 Guayewuanine A C31H43NO9 573.293781 NA MeJP NA NA +MJ082200 Hemsleyanidine C31H43NO9 573.293781 NA MeJP NA NA +PJ006175 APQKM C24H43N7O7S 573.2945 NA PeJP NA NA +PJ006176 NERR C21H39N11O8 573.2983 NA PeJP NA NA +PJ006177 ALLEE C25H43N5O10 573.301 NA PeJP NA NA +PJ006178 VNRW C26H39N9O6 573.3023 NA PeJP NA NA +PJ006179 GGVRW C26H39N9O6 573.3024 NA PeJP NA NA +PJ006180 APCKR C23H43N9O6S 573.3057 NA PeJP NA NA +EUR912 Lyso PE 22:5 [M+FA-H]- C27H46NO7P 573.306072 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR912 Lyso PE 22:5 [M+FA-H]- C27H46NO7P 573.306072 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR912 Lyso PE 22:5 [M+FA-H]- C27H46NO7P 573.306072 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR912 Lyso PE 22:5 [M+FA-H]- C27H46NO7P 573.306072 masses lipides attendues Inhousejuil11 NA NA +PJ006181 GLQKE C24H43N7O9 573.3122 NA PeJP NA NA +PJ006182 AVQKE C24H43N7O9 573.3123 NA PeJP NA NA +PJ006183 GRRW C25H39N11O5 573.3136 NA PeJP NA NA +7806 ACE inhibitor from caprine b-Lg LQKW 573.315 ACE inhibitor Inhouse_peptide NA peptide +PJ006184 PPVVY C29H43N5O7 573.3163 NA PeJP NA NA +PJ006185 PTLLM C26H47N5O7S 573.3196 NA PeJP NA NA +PJ006186 AAKER C23H43N9O8 573.3235 NA PeJP NA NA +PJ006187 LQKW C28H43N7O6 573.3275 NA PeJP NA NA +MJ082201 2,3,14,20,24,25-Hexahydroxycholest-7-en-6-one, 24-O-(2-Pyrrolecarbonyl) C32H47NO8 573.330167 NA MeJP NA NA +MJ082202 Zygadenilic acid ?-lactone; O16-Angeloyl C32H47NO8 573.330167 NA MeJP NA NA +MJ082203 Paludosine; N-Me C32H48NO8(+) 573.330167 NA MeJP NA NA +PJ006188 APKKM C25H47N7O6S 573.3309 NA PeJP NA NA +C09997 Amphibine A C33H43N5O4 573.3315 NA KEGG NA NA +MJ082204 ?,?-Ergoannam C33H43N5O4 573.331504 NA MeJP NA NA +MJ082205 Amphibine A C33H43N5O4 573.331504 NA MeJP NA NA +MJ082206 Discarine A C33H43N5O4 573.331504 NA MeJP NA NA +MJ082207 Discarine B C33H43N5O4 573.331504 NA MeJP NA NA +MJ082208 Discarine X C33H43N5O4 573.331504 NA MeJP NA NA +MJ082209 Nummularine K C33H43N5O4 573.331504 NA MeJP NA NA +MJ082210 Texensine C33H43N5O4 573.331504 NA MeJP NA NA +MJ082211 Waltherine B C33H43N5O4 573.331504 NA MeJP NA NA +PJ006189 DKRR C22H43N11O7 573.3347 NA PeJP NA NA +PJ006190 SLLLE C26H47N5O9 573.3374 NA PeJP NA NA +MJ082212 Dolastatin D C31H47N3O7 573.3414 NA MeJP NA NA +MJ082213 Leualacin C31H47N3O7 573.3414 NA MeJP NA NA +2725 erythromycin inhibitor MILVV 573.3444 NA Inhouse_peptide NA peptide +MJ082214 Lycorine, O1-(5,8,11,14-Eicosatetraenoyl)(all-Z-) C36H47NO5 573.345423 NA MeJP NA NA +PJ006191 SRRR C21H43N13O6 573.346 NA PeJP NA NA +3608 NA RTAKV 573.347 ACE inhibitor Inhouse_peptide NA peptide +PJ006192 GLKKE C25H47N7O8 573.3486 NA PeJP NA NA +PJ006193 PVVLF C30H47N5O6 573.3527 NA PeJP NA NA +PJ006194 VVLLM C27H51N5O6S 573.356 NA PeJP NA NA +PJ006195 GTLKR C24H47N9O7 573.3599 NA PeJP NA NA +3057 NA YGKVLKKRR 573.36 MH2+ Inhouse_peptide NA peptide +PJ006196 LKKW C29H47N7O5 573.3639 NA PeJP NA NA +MJ082215 Jervine; 11-Deoxo, 3-O-?-D-glucopyranoside C33H51NO7 573.366552 NA MeJP NA NA +MJ082216 Mitiphylline; N-Ac C33H51NO7 573.366552 NA MeJP NA NA +MJ082217 Veratra-5,11,13-triene-3,23-diol, 23-O-?-D-Glucopyranoside C33H51NO7 573.366552 NA MeJP NA NA +EUR740 Lyso PC 20:0 [M+Na]+ C28H58NO7P 573.377038 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR740 Lyso PC 20:0 [M+Na]+ C28H58NO7P 573.377038 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR740 Lyso PC 20:0 [M+Na]+ C28H58NO7P 573.377038 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR740 Lyso PC 20:0 [M+Na]+ C28H58NO7P 573.377038 masses lipides attendues Inhousejuil11 NA NA +PJ006197 SVLKK C26H51N7O7 573.385 NA PeJP NA NA +MJ082218 Sevcoridine; 3-O-?-D-Glucopyranosyl C34H55NO6 573.402938 NA MeJP NA NA +MJ082219 Pyrinodemin A C38H59N3O 573.465813 NA MeJP NA NA +MJ082220 Bis(2,3-dibromo-4,5-dihydroxybenzyl) ether C14H10Br4O5 573.726174 NA MeJP NA NA +MJ082221 2,3',5,5'-Tetrabromo-7'-methoxy-3,4'-bi-1H-indole C17H10Br4N2O 573.752663 NA MeJP NA NA +MJ082222 3,3',5,5'-Tetrabromo-7'-methoxy-1,4'-bi-1H-indole C17H10Br4N2O 573.752663 NA MeJP NA NA +7353 celiac sprue gluten epitope found in omega-gliadin QQPYPQQPY 573.757 MH2+ Inhouse_peptide NA peptide +3708 NA RNKPFKFVL 573.83595 MH2+ Inhouse_peptide NA peptide +MJ082223 ?-Hydroxydiphenyldimercury(1+) C12H11Hg2O(+) 574.014416 NA MeJP NA NA +FL5FFCGSS002 Gossypetin 8-glucuronide-3-sulfate C21H18O17S 574.02646 - knapsack NA NA +MJ082224 3,3',4',5,7,8-Hexahydroxyflavone; 8-O-?-D-Glucuronopyranoside, 3-O-sulfate C21H18O17S 574.026469 NA MeJP NA NA +FL5FECGLS001 Patuletin 3-glucoside-7-sulfate C22H22O16S 574.06285 33530-69-7 knapsack NA NA +MJ082225 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-D-Glucopyranoside, 7-O-sulfate C22H22O16S 574.062855 NA MeJP NA NA +MJ082226 Distigmine(2+); Dibromide C22H32Br2N4O4 574.07903 NA MeJP NA NA +MJ082227 Mangiferin; 6'-O-(3,4,5-Trihydroxybenzoyl) C26H22O15 574.09587 NA MeJP NA NA +MJ082228 Peritoxin A C20H29Cl3N4O9 574.100011 NA MeJP NA NA +PJ006198 GSCCCC C17H30N6O8S4 574.1008 NA PeJP NA NA +MJ082229 Gadodiamide C16H26GdN5O8 574.102238 NA MeJP NA NA +C16763 Luteoskyrin C30H22O12 574.1111 NA KEGG NA NA +MJ082230 3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone; 3'''-Hydroxy C30H22O12 574.111126 NA MeJP NA NA +MJ082231 3,3'',4',4''',5,5'',7,7''-Octahydroxy-3',3'''-biflavanone C30H22O12 574.111126 NA MeJP NA NA +MJ082232 3,3',4',5',7-Pentahydroxyflavan(4?2')-3',4',5',7-tetrahydroxyflavone C30H22O12 574.111126 NA MeJP NA NA +MJ082233 3,3',4',7-Tetrahydroxyflavan(4?2')-3,3',4',5',7-pentahydroxyflavone C30H22O12 574.111126 NA MeJP NA NA +MJ082234 8,9b-Bis(3,4-dihydro-3,5,7-trihydroxy-4-oxo-2H-1-benzopyran-2-yl)-4a,9b-dihydro-3(4H)dibenzofuranone C30H22O12 574.111126 NA MeJP NA NA +MJ082235 Hypnumbiflavanoid A C30H22O12 574.111126 NA MeJP NA NA +MJ082236 Hypnumbiflavanoid B C30H22O12 574.111126 NA MeJP NA NA +MJ082237 Larixinol; 3',3''-Dihydroxy C30H22O12 574.111126 NA MeJP NA NA +MJ082238 Rubroskyrin C30H22O12 574.111126 NA MeJP NA NA +MJ082239 Rugulosin, 8,8'-Dihydroxy C30H22O12 574.111126 NA MeJP NA NA +MJ082240 Xanthomegnin C30H22O12 574.111126 NA MeJP NA NA +MJ082241 Mulberrofuran P C34H22O9 574.126382 NA MeJP NA NA +MJ082242 Prunolide A; Octakis(debromo) C34H22O9 574.126382 NA MeJP NA NA +FL1A3CGS0005 6,7,3',4'-Tetrahydroxyaurone 6-(2'',4'',6''-triacetylglucoside) C27H26O14 574.13225 - knapsack NA NA +FL1A3CGS0011 6,7,3',4'-Tetrahydroxyaurone 6-O-(3'',4'',6''-tri-O-acetylglucoside);Maritimetin 6-O-(3'',4'',6''-tri-O-acetylglucoside) C27H26O14 574.13225 194600-18-5 knapsack NA NA +MJ082243 3',4',6,7-Tetrahydroxyaurone; 6-O-(2,4,6-Tri-O-acetyl-?-D-glucopyranoside) C27H26O14 574.132255 NA MeJP NA NA +MJ082244 3',4',6,7-Tetrahydroxyaurone; 6-O-(3,4,6-Tri-O-acetyl-?-D-glucopyranoside) C27H26O14 574.132255 NA MeJP NA NA +MJ082245 2,2'-Dihydroxy-9,9'-bis(4-hydroxyphenyl)-[3,3'-bi-1H-phenalene]-1,1'-dione C38H22O6 574.141638 NA MeJP NA NA +MJ082246 Anigorootin C38H22O6 574.141638 NA MeJP NA NA +MJ082247 1-[2-(3,4-Dihydroxyphenyl)-3,4-dihydro-3,7-dihydroxy-2H-1-benzopyran-4-yl]-5,6a,7,12a-tetrahydro[2]benzopyrano[4,3-b][1]benzopyran-2,3,7,10-tetrol C31H26O11 574.147511 NA MeJP NA NA +MJ082248 Diphyllin; 3,4,5-Trimethoxybenzoyl C31H26O11 574.147511 NA MeJP NA NA +MJ082249 Viniferal C35H26O8 574.162767 NA MeJP NA NA +MJ082250 Rutaretin, 1'-O-[4-Hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] C28H30O13 574.168641 NA MeJP NA NA +MJ082251 Steffimycin C28H30O13 574.168641 NA MeJP NA NA +MJ082252 Mioflazine C29H30Cl2F2N4O2 574.171388 NA MeJP NA NA +PJ006199 SCNDH C20H30N8O10S 574.1806 NA PeJP NA NA +MJ082253 3',3'''-Bis(2',4,4',6'-tetrahydroxydihydrochalcone); 4,4''-Di-Me ether C32H30O10 574.183897 NA MeJP NA NA +MJ082254 Cardinalin 1; 4a,4'a,10a,10'a-Tetradehydro, 5-ketone C32H30O10 574.183897 NA MeJP NA NA +MJ082255 Flavomannin, 3,3'-Di-Me ether C32H30O10 574.183897 NA MeJP NA NA +MJ082256 Occidentalol II C32H30O10 574.183897 NA MeJP NA NA +MJ082257 Talaroderxine A C32H30O10 574.183897 NA MeJP NA NA +MJ082258 Torosaol III C32H30O10 574.183897 NA MeJP NA NA +PJ006200 PNDDD C21H30N6O13 574.1871 NA PeJP NA NA +PJ006201 DDYY C26H30N4O11 574.1911 NA PeJP NA NA +PJ006202 MMMY C24H38N4O6S3 574.1954 NA PeJP NA NA +FL2FA9NC0004 Uvarinol C36H30O7 574.19915 66754-55-0 knapsack NA NA +FL2FA9NC0006 Isouvarinol;(S)-5,7-Dihydroxy-6-(2-hydroxybenzyl)-8-(2x2-hydroxybenzyl)flavanone C36H30O7 574.19915 152841-80-0 knapsack NA NA +MJ082259 Isouvarinol C36H30O7 574.199153 NA MeJP NA NA +MJ082260 Uvarinol C36H30O7 574.199153 NA MeJP NA NA +PJ006203 GCQMH C21H34N8O7S2 574.1992 NA PeJP NA NA +FLIF1LGF0003 Dalpanol O-glucoside C29H34O12 574.20502 52059-86-6 knapsack NA NA +MJ082261 1,4,6,8,9-Pentahydroxydihydro-?-agarofuran, 6,9-Bis(3-furancarbonyl), 1,8-di-Ac C29H34O12 574.205026 NA MeJP NA NA +MJ082262 2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Angeloyl, 14-(3-methyl-2-butenoyl), 9,13-di-Ac C29H34O12 574.205026 NA MeJP NA NA +MJ082263 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 15-O-[4-Hydroxyphenylacetyl-(?2)-?-D-glucopyranoside] C29H34O12 574.205026 NA MeJP NA NA +MJ082264 8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 15-O-[4-Hydroxyphenylacetyl-(?6)-?-D-glucopyranoside] C29H34O12 574.205026 NA MeJP NA NA +MJ082265 Amorphigenin; 12?-Alcohol, 2'-O-?-D-glucopyranoside C29H34O12 574.205026 NA MeJP NA NA +MJ082266 Dalpanol; O-?-D-Glucopyranoside C29H34O12 574.205026 NA MeJP NA NA +MJ082267 Elegantin A C29H34O12 574.205026 NA MeJP NA NA +MJ082268 Harrisonin; 12?-Acetoxy C29H34O12 574.205026 NA MeJP NA NA +MJ082269 Pterosin T; 14-Deoxy, 15-hydroxy, 10-O-(4-O-caffeoyl-?-D-glucopyranoside) C29H34O12 574.205026 NA MeJP NA NA +MJ082270 Steffimycin; 7-Deoxo, 4'-Me ether C29H34O12 574.205026 NA MeJP NA NA +PJ006204 GSPPCD C22H34N6O10S 574.2057 NA PeJP NA NA +MJ082271 Adiphene C30H30N4O8 574.206363 NA MeJP NA NA +PJ006205 DMFY C27H34N4O8S 574.2098 NA PeJP NA NA +MJ082272 Kohatine; 1',2',3',4'-Tetradehydro, O12-Me C35H30N2O6 574.210386 NA MeJP NA NA +MJ082273 Stephasubine; N-De-Me, 1,2-didehydro C35H30N2O6 574.210386 NA MeJP NA NA +PJ006206 GCCHR C20H34N10O6S2 574.2104 NA PeJP NA NA +HMDB06825 Tetrahydrofolyl-[Glu](2) C24H30N8O9 574.21356 http://www.hmdb.ca/metabolites/HMDB06825 HMDB NA NA +HMDB06826 Tetrahydrofolyl-[Glu](n) C24H30N8O9 574.21356 http://www.hmdb.ca/metabolites/HMDB06826 HMDB NA NA +HMDB06825 Tetrahydrofolyl-[Glu](2) C24H30N8O9 574.21356 HMDB06825 PFEM_hmdb_metabocards_official NA NA +HMDB06826 Tetrahydrofolyl-[Glu](n) C24H30N8O9 574.21356 HMDB06826 PFEM_hmdb_metabocards_official NA NA +HMDB06825 Tetrahydrofolyl-[Glu](2) C24H30N8O9 574.213562 NA HMDB2010 NA NA +C09332 Tetrahydrofolyl-[Glu](2) C24H30N8O9 574.2136 NA KEGG NA NA +MJ082274 5S-Carboxystrictosidine C28H34N2O11 574.216259 NA MeJP NA NA +PJ006207 SSNMH C21H34N8O9S 574.217 NA PeJP NA NA +PJ006208 SPNEE C22H34N6O12 574.2235 NA PeJP NA NA +PJ006209 PPCQM C23H38N6O7S2 574.2244 NA PeJP NA NA +MJ082275 Brucein E; 2-O-?-D-Glucopyranoside C26H38O14 574.226155 NA MeJP NA NA +MJ082276 Razinodil C27H34N4O10 574.227493 NA MeJP NA NA +PJ006210 TEYY C27H34N4O10 574.2275 NA PeJP NA NA +PJ006211 MMFF C28H38N4O5S2 574.2284 NA PeJP NA NA +MJ082277 TSAO-C C23H42N4O7SSi2 574.231273 NA MeJP NA NA +MJ082278 Lanciferine; 10-Methoxy C32H34N2O8 574.231516 NA MeJP NA NA +PJ006212 GSSSTH C21H34N8O11 574.2347 NA PeJP NA NA +PJ006213 GGGGGAAE C21H34N8O11 574.2348 NA PeJP NA NA +PJ006214 PPCCR C22H38N8O6S2 574.2356 NA PeJP NA NA +PJ006215 GSPEW C26H34N6O9 574.2388 NA PeJP NA NA +MJ082279 1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 9-Cinnamoyl, 1-(hydroxyacetyl), 2,6-di-Ac C30H38O11 574.241412 NA MeJP NA NA +MJ082280 1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6,14-tetra-Ac C30H38O11 574.241412 NA MeJP NA NA +MJ082281 1,2,8,9,14-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,8,14-tetra-Ac C30H38O11 574.241412 NA MeJP NA NA +MJ082282 1,6,8,9,14-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6,8,14-tetra-Ac C30H38O11 574.241412 NA MeJP NA NA +MJ082283 1,6,8,9,14-Pentahydroxydihydro-?-agarofuran, 8-Benzoyl, 1,6,9,14-tetra-Ac C30H38O11 574.241412 NA MeJP NA NA +MJ082284 1,6,8,9,14-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6,8,14-tetra-Ac C30H38O11 574.241412 NA MeJP NA NA +MJ082285 3,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-O-?-D-Glucopyranoside, 9-(4-methoxyphenylacetyl) C30H38O11 574.241412 NA MeJP NA NA +MJ082286 Affinoside A C30H38O11 574.241412 NA MeJP NA NA +MJ082287 Amoorastatone; 12?-Acetoxy C30H38O11 574.241412 NA MeJP NA NA +MJ082288 Amoorstatin; 12?-Acetoxy C30H38O11 574.241412 NA MeJP NA NA +MJ082289 Anodendroside E1; 16,17-Didehydro C30H38O11 574.241412 NA MeJP NA NA +MJ082290 Austalide B; 19?-Acetoxy, 13-Ac C30H38O11 574.241412 NA MeJP NA NA +MJ082291 Leptolepisol B C30H38O11 574.241412 NA MeJP NA NA +PJ006216 APQEM C23H38N6O9S 574.2421 NA PeJP NA NA +PJ006217 DFFF C31H34N4O7 574.2428 NA PeJP NA NA +PJ006218 GNNDR C20H34N10O10 574.246 NA PeJP NA NA +PJ006219 VMYY C28H38N4O7S 574.2461 NA PeJP NA NA +PJ006220 NQQW C25H34N8O8 574.25 NA PeJP NA NA +PJ006221 GPDMR C22H38N8O8S 574.2534 NA PeJP NA NA +PJ006222 SPWW C30H34N6O6 574.254 NA PeJP NA NA +PJ006223 AAPMW C27H38N6O6S 574.2574 NA PeJP NA NA +PJ006224 GLQEE C23H38N6O11 574.2599 NA PeJP NA NA +PJ006225 PPCKM C24H42N6O6S2 574.2607 NA PeJP NA NA +PJ006226 GPQHH C24H34N10O7 574.2612 NA PeJP NA NA +2637 synthetic fr, of human beta-CN (42-46) ACE inhibitor PSFQP 574.262 NA Inhouse_peptide NA peptide +MJ082292 Jasmesosidic acid; Me ester C27H42O13 574.262541 NA MeJP NA NA +MJ082293 Jasuroside E C27H42O13 574.262541 NA MeJP NA NA +MJ082294 Jasuroside F C27H42O13 574.262541 NA MeJP NA NA +PJ006227 AAEER C22H38N8O10 574.2711 NA PeJP NA NA +PJ006228 LQEW C27H38N6O8 574.2751 NA PeJP NA NA +MJ082295 5,6;12,15-Diepoxy-3,7,9,11,14-jatrophanepentol, 3-Benzoyl, 7,9-di-Ac C31H42O10 574.277797 NA MeJP NA NA +MJ082296 7,8-Epoxy-2,3,14-trihydroxybufa-20,22-dienolide, Glycoside C31H42O10 574.277797 NA MeJP NA NA +MJ082297 Elaeodendroside B; 16?-Acetoxy C31H42O10 574.277797 NA MeJP NA NA +MJ082298 Elaeodendroside B; 3'-Epimer, 16?-Acetoxy C31H42O10 574.277797 NA MeJP NA NA +MJ082299 Gomphoside; 3'-Epimer, 19-oxo, 3'-Ac C31H42O10 574.277797 NA MeJP NA NA +MJ082300 Ingol; 12-Tigloyl, 3,7,8-tri-Ac C31H42O10 574.277797 NA MeJP NA NA +MJ082301 Ingol; 7-Angeloyl, 3,8,12-tri-Ac C31H42O10 574.277797 NA MeJP NA NA +MJ082302 Ingol; 7-Tigloyl, 3,8,12-tri-Ac C31H42O10 574.277797 NA MeJP NA NA +MJ082303 Ingol; 8-Angeloyl, 3,7,12-tri-Ac C31H42O10 574.277797 NA MeJP NA NA +MJ082304 Ingol; 8-Tigloyl, 3,7,12-tri-Ac C31H42O10 574.277797 NA MeJP NA NA +MJ082305 Papulacandin D C31H42O10 574.277797 NA MeJP NA NA +MJ082306 Tyledoside F C31H42O10 574.277797 NA MeJP NA NA +C08849 Asclepin C31H42O10 574.2778 NA KEGG NA NA +PJ006229 APKEM C24H42N6O8S 574.2785 NA PeJP NA NA +PJ006230 VFFY C32H38N4O6 574.2792 NA PeJP NA NA +PJ006231 DERR C21H38N10O9 574.2823 NA PeJP NA NA +PJ006232 GGGTQR C21H38N10O9 574.2824 NA PeJP NA NA +PJ006233 VDRW C26H38N8O7 574.2864 NA PeJP NA NA +C11225 Herbimycin C30H42N2O9 574.289 NA KEGG NA NA +MJ082307 Herbimycin A C30H42N2O9 574.28903 NA MeJP NA NA +MJ082308 Ranaconine; 10?-Hydroxy, O4-(2-aminobenzoyl) C30H42N2O9 574.28903 NA MeJP NA NA +PJ006234 APTMR C23H42N8O7S 574.2897 NA PeJP NA NA +PJ006235 ALWW C31H38N6O5 574.2904 NA PeJP NA NA +MJ082309 4-[2,4,6-Trihydroxy-3-(9-tetradecenoyl)phenyl]-4',7-dihydroxyflavan C35H42O7 574.293053 NA MeJP NA NA +MJ082310 Vilasinin; 1-Benzoyl, 3-Ac C35H42O7 574.293053 NA MeJP NA NA +PJ006236 GLKEE C24H42N6O10 574.2963 NA PeJP NA NA +MJ082311 Petuniasterone A; 17?-Hydroxy C32H46O7S 574.296424 NA MeJP NA NA +MJ082312 Petuniasterone A; 30-Hydroxy C32H46O7S 574.296424 NA MeJP NA NA +PJ006237 GPKHH C25H38N10O6 574.2976 NA PeJP NA NA +MJ082313 7(14)-Bisabolene-1,2,3,4,5,8,9,10,11-nonol; 2-Angeloyl, 5,8-bis(2-methylpropanoyl) C28H46O12 574.298926 NA MeJP NA NA +MJ082314 Thesine C34H42N2O6 574.304287 NA MeJP NA NA +PJ006238 GTLER C23H42N8O9 574.3075 NA PeJP NA NA +PJ006239 LKEW C28H42N6O7 574.3115 NA PeJP NA NA +MJ082315 2,16,19,20,25-Pentahydroxycucurbita-5,23-diene-3,11,22-trione, 25-Ac C32H46O9 574.314183 NA MeJP NA NA +MJ082316 3,7,12-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid, 12-Ac C32H46O9 574.314183 NA MeJP NA NA +MJ082317 3,7,12-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid, 7-Ketone, 15?-alcohol, 12-Ac C32H46O9 574.314183 NA MeJP NA NA +MJ082318 Aplysiatoxin; Debromo, 3-deoxy, 3,4-didehydro C32H46O9 574.314183 NA MeJP NA NA +MJ082319 Piscidinol D C32H46O9 574.314183 NA MeJP NA NA +MetaCyc03880 cucurbitacin A [] C32H46O9 574.314183 NA metacyc NA NA +C08793 Cucurbitacin A C32H46O9 574.3142 NA KEGG NA NA +PJ006240 SPLKM C25H46N6O7S 574.3149 NA PeJP NA NA +MJ082320 23-Methylergost-22-ene-3,5,6,15,25,26-hexol, 26-Sulfate C29H50O9S 574.317553 NA MeJP NA NA +PJ006241 GSQKR C22H42N10O8 574.3187 NA PeJP NA NA +PJ006242 TLRW C27H42N8O6 574.3228 NA PeJP NA NA +PJ006243 GVLMR C24H46N8O6S 574.3261 NA PeJP NA NA +PJ006244 TTLLQ C25H46N6O9 574.3326 NA PeJP NA NA +PJ006245 SVLKE C25H46N6O9 574.3327 NA PeJP NA NA +PJ006246 PFRR C26H42N10O5 574.334 NA PeJP NA NA +PJ006247 LMRR C23H46N10O5S 574.3374 NA PeJP NA NA +PJ006248 SSLLR C24H46N8O8 574.3439 NA PeJP NA NA +PJ006249 APLKF C29H46N6O6 574.3479 NA PeJP NA NA +MJ082321 Microginin 91A C28H51ClN4O6 574.349713 NA MeJP NA NA +MJ082322 2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-Ac, 30-Me ester C33H50O8 574.350568 NA MeJP NA NA +MJ082323 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Octanoyl, 12-(2S-methylbutanoyl) C33H50O8 574.350568 NA MeJP NA NA +MJ082324 Cephalosporin P1 C33H50O8 574.350568 NA MeJP NA NA +MJ082325 Milbemycin ?2; 6S-Hydroxy C33H50O8 574.350568 NA MeJP NA NA +MJ082326 Spirosta-5,25(27)-dien-3-ol; 3?-form, 3-O-?-D-Glucopyranoside C33H50O8 574.350568 NA MeJP NA NA +PJ006250 ALLKM C26H50N6O6S 574.3513 NA PeJP NA NA +PJ006251 GSKKR C23H46N10O7 574.3551 NA PeJP NA NA +MJ082327 3,11-Dihydroxy-12-ursen-28-oic acid, 11-Ketone, 3-benzoyl C37H50O5 574.365824 NA MeJP NA NA +MJ082328 3,6-Dihydroxy-12-ursen-28-oic acid, 6-Ketone, 3-benzoyl C37H50O5 574.365824 NA MeJP NA NA +PJ006252 TTLLK C26H50N6O8 574.369 NA PeJP NA NA +PJ006253 ATKKK C25H50N8O7 574.3803 NA PeJP NA NA +MJ082329 12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 16-(3-Hydroxypentanoyl), 12-Ac C34H54O7 574.386954 NA MeJP NA NA +MJ082330 12-Oleanene-3,16,22,23,28-pentol, 22,28-Di-Ac C34H54O7 574.386954 NA MeJP NA NA +MJ082331 4,5,9,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Tetradecanoyl C34H54O7 574.386954 NA MeJP NA NA +MJ082332 Antibiotic YW 3548 C34H54O7 574.386954 NA MeJP NA NA +MJ082333 Irumanolide I C34H54O7 574.386954 NA MeJP NA NA +MJ082334 Oxohygrolidin C34H54O7 574.386954 NA MeJP NA NA +MJ082335 3-Hydroxy-12-oleanen-29-oic acid; 3?-form, 3-Benzoyl, Me ester C38H54O4 574.40221 NA MeJP NA NA +MJ082336 6,8-Multifloradiene-3,29-diol; 3?-form, 3-(4-Methoxybenzoyl) C38H54O4 574.40221 NA MeJP NA NA +MJ082337 12-Oleanene-3,15,16,22,28-pentol, 22-O-(2-Methylbutanoyl) C35H58O6 574.423339 NA MeJP NA NA +MJ082338 14-Serratene-3,21-diol, 3-O-?-L-Arabinopyranoside C35H58O6 574.423339 NA MeJP NA NA +MJ082339 Stigmasta-5,22-dien-3-ol, 3-O-?-D-Galactopyranoside C35H58O6 574.423339 NA MeJP NA NA +MJ082340 Stigmasta-5,22-dien-3-ol, 3-O-?-D-Glucopyranoside C35H58O6 574.423339 NA MeJP NA NA +MJ082341 Stigmasta-5,24(28)-dien-3-ol, 3-O-?-D-Glucopyranoside C35H58O6 574.423339 NA MeJP NA NA +MJ082342 Stigmasta-5,24(28)-dien-3-ol, 3-O-?-D-Galactopyranoside C35H58O6 574.423339 NA MeJP NA NA +MJ082343 Stigmasta-5,25-dien-3-ol, 3-O-?-D-Glucopyranoside C35H58O6 574.423339 NA MeJP NA NA +MJ082344 Stigmasta-7,22-dien-3-ol, O-?-D-Glucopyranoside C35H58O6 574.423339 NA MeJP NA NA +MJ082345 Stigmasta-7,22-dien-3-ol, O-?-D-Galactopyranoside C35H58O6 574.423339 NA MeJP NA NA +MJ082346 Stigmasta-7,22-dien-3-ol, O-?-D-Glucopyranoside C35H58O6 574.423339 NA MeJP NA NA +MJ082347 12-Oleanen-3-ol, O-[3-(4-Hydroxyphenyl)propanoyl] C39H58O3 574.438595 NA MeJP NA NA +MJ082348 29-Hopanol, O-(4-Hydroxycinnamoyl) C39H58O3 574.438595 NA MeJP NA NA +MJ082349 Lanost-24-ene-3,20-diol, 3-Cinnamoyl C39H58O3 574.438595 NA MeJP NA NA +MJ082350 1,3,25-Hexacosanetriol, 3-Ketone, 1-O-?-D-glucopyranoside C32H62O8 574.444468 NA MeJP NA NA +HMDB07077 DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0) C36H62O5 574.459717 NA HMDB2010 NA NA +HMDB07329 DG(18:4(6Z,9Z,12Z,15Z)/15:0/0:0) C36H62O5 574.459717 NA HMDB2010 NA NA +MJ082351 1(19),7,10,12-Xenecatetraene-6,14,17,18-tetrol, 17-Hexadecanoyl C36H62O5 574.459725 NA MeJP NA NA +MJ082352 2-Heptacosyl-5,7-dihydroxy-4H-1-benzopyran-4-one; 2,3-Dihydro, 2-hydroxy C36H62O5 574.459725 NA MeJP NA NA +MJ082353 2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 1-O-octacosanoyl C37H66O4 574.49611 NA MeJP NA NA +MJ082354 Dieporeticanin; Dieporeticanin 1 C37H66O4 574.49611 NA MeJP NA NA +MJ082355 Dieporeticanin; Dieporeticanin 2 C37H66O4 574.49611 NA MeJP NA NA +MJ082356 Diepoxyrollin C37H66O4 574.49611 NA MeJP NA NA +MJ082357 Montecristin C37H66O4 574.49611 NA MeJP NA NA +MJ082358 7,11,15,19-Tetramethyl-3-methylene-2-(3,7,11-trimethyl-2-dodecenyl)-1-eicosanol C40H78O 574.605267 NA MeJP NA NA +MJ082359 Epoxylycopaene C40H78O 574.605267 NA MeJP NA NA +MJ082360 Trianthenol C40H78O 574.605267 NA MeJP NA NA +MetaCyc03881 D-myo-inositol (1,2,3,4,5)-pentakisphosphate [1-myo-inositol (1,2,3,4,5)-pentakisphosphate;inositol (1,2,3,4,5)-pentakisphosphate;myo-inositol (1,2,3,4,5)-pentakisphosphate;1L-myo-inositol (1,2,3,4,5)-pentakisphosphate;1D-myo-inositol (1,2,3,4,5)-pentakisphosphate;I(1,2,3,4,5)P5;Ins(1,2,3,4,5)P5;] C6H12O21P5 574.855915 NA metacyc NA NA +MetaCyc03882 D-myo-inositol (1,2,3,5,6) pentakisphosphate [1D-myo-inositol (1,2,3,5,6) pentakisphosphate;Ins(1,2,3,5,6)P5;I(1,2,3,5,6)P5;] C6H12O21P5 574.855915 NA metacyc NA NA +MetaCyc03883 D-myo-inositol (1,2,3,4,6)-pentakisphosphate [Ins(1,2,3,4,6)P5;1D-myo-inositol (1,2,3,4,6)-pentakisphosphate;inositol (1,2,3,4,6)-pentakisphosphate;] C6H12O21P5 574.855915 NA metacyc NA NA +MetaCyc03884 D-myo-inositol (1,2,4,5,6)-pentakisphosphate [1D-myo-inositol 1,2,4,5,6-pentakisphosphate;myo-inositol 1,2,4,5,6-pentakisphosphate;inositol 1,2,4,5,6-pentakisphosphate;Ins(1,2,4,5,6)P5;] C6H12O21P5 574.855915 20298-95-7 metacyc NA NA +MetaCyc03885 D-myo-inositol (1,3,4,5,6)-pentakisphosphate [Ins(1,3,4,5,6)P5;1D-myo-inositol (1,3,4,5,6)-pentakisphosphate;inositol (1,3,4,5,6)-pentakisphosphate;I(1,3,4,5,6)P5;] C6H12O21P5 574.855915 NA metacyc NA NA +C06886 Cefotetan C17H17N7O8S4 575.0021 NA KEGG NA NA +MJ082361 Cefotetan C17H17N7O8S4 575.002143 NA MeJP NA NA +C16424 Isopentenyladenosine-5'-triphosphate C15H24N5O13P3 575.0583 NA KEGG NA NA +MetaCyc03886 isopentenyladenosine-5'-triphosphate [iPTP;isopentenyladenosine riboside-5'-triphosphate;iPRTP;] C15H24N5O13P3 575.058345 NA metacyc NA NA +CJpos0823 Hippuric acid [(3M-H+Ca)]+ C27H26CaN3O9 575.121075 C18rt(min)=5.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0823 Hippuric acid [(3M-H+Ca)]+ C27H26CaN3O9 575.121075 C18rt(min)=5.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +C11933 dTDP-D-mycaminose C18H31N3O14P2 575.1281 NA KEGG NA NA +PJ006254 GCCMY C22H33N5O7S3 575.1542 NA PeJP NA NA +C12472 Novclobiocin 105 C28H30ClNO10 575.1558 NA KEGG NA NA +MJ082362 Cartormin C27H29NO13 575.16389 NA MeJP NA NA +PJ006255 SCDDH C20H29N7O11S 575.1646 NA PeJP NA NA +PJ006256 PDDDD C21H29N5O14 575.1711 NA PeJP NA NA +PJ006257 STCCY C22H33N5O9S2 575.172 NA PeJP NA NA +C14855 4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene C30H29N3O7S 575.1726 NA KEGG NA NA +C14856 7,8-Dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene C30H29N3O7S 575.1726 NA KEGG NA NA +C11603 Monochloro-monoglutathionyl melphalan C23H34ClN5O8S 575.1817 NA KEGG NA NA +PJ006258 GCEMH C21H33N7O8S2 575.1832 NA PeJP NA NA +PJ006259 GCCFF C26H33N5O6S2 575.1872 NA PeJP NA NA +PJ006260 CMHW C25H33N7O5S2 575.1985 NA PeJP NA NA +PJ006261 SSDMH C21H33N7O10S 575.201 NA PeJP NA NA +PJ006262 CQYY C26H33N5O8S 575.205 NA PeJP NA NA +PJ006263 SPDEE C22H33N5O13 575.2075 NA PeJP NA NA +PJ006264 PPCEM C23H37N5O8S2 575.2084 NA PeJP NA NA +C07206 Zafirlukast C31H33N3O6S 575.209 NA KEGG NA NA +MJ082363 Zafirlukast C31H33N3O6S 575.209006 NA MeJP NA NA +PJ006265 GPCNW C25H33N7O7S 575.2162 NA PeJP NA NA +PJ006266 GGGPCW C25H33N7O7S 575.2163 NA PeJP NA NA +PJ006267 GNQEE C21H33N7O12 575.2187 NA PeJP NA NA +PJ006268 GGGQEE C21H33N7O12 575.2188 NA PeJP NA NA +PJ006269 GTMMH C22H37N7O7S2 575.2196 NA PeJP NA NA +PJ006270 GSSYY C26H33N5O10 575.2228 NA PeJP NA NA +PJ006271 APEEM C23H37N5O10S 575.2261 NA PeJP NA NA +PJ006272 GNDDR C20H33N9O11 575.23 NA PeJP NA NA +PJ006273 NQEW C25H33N7O9 575.234 NA PeJP NA NA +MJ082364 1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1,2,6,15-tetra-Ac C29H37NO11 575.236661 NA MeJP NA NA +MJ082365 1,6,8,9,14-Pentahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1,6,8,14-tetra-Ac C29H37NO11 575.236661 NA MeJP NA NA +PJ006274 STTMH C22H37N7O9S 575.2374 NA PeJP NA NA +PJ006275 CKYY C27H37N5O7S 575.2414 NA PeJP NA NA +PJ006276 GLEEE C23H37N5O12 575.2439 NA PeJP NA NA +PJ006277 PPTMM C24H41N5O7S2 575.2448 NA PeJP NA NA +PJ006278 GPEHH C24H33N9O8 575.2452 NA PeJP NA NA +MJ082366 3-[2-Hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-4-thiazolidinecarboxamide C32H37N3O5S 575.245391 NA MeJP NA NA +PJ006279 SPCNR C21H37N9O8S 575.2486 NA PeJP NA NA +PJ006280 GQWW C29H33N7O6 575.2493 NA PeJP NA NA +MJ082367 Antibiotic SF 2587C C33H37NO8 575.251917 NA MeJP NA NA +PJ006281 AAMHF C26H37N7O6S 575.2526 NA PeJP NA NA +PJ006282 GNKEE C22H37N7O11 575.2551 NA PeJP NA NA +MJ082368 Foroxymithine C22H37N7O11 575.255105 NA MeJP NA NA +PJ006283 LEEW C27H37N5O9 575.2592 NA PeJP NA NA +PJ006284 PHHW C28H33N9O5 575.2605 NA PeJP NA NA +PJ006285 SPLEM C24H41N5O9S 575.2625 NA PeJP NA NA +MJ082369 Anthraserpine C32H37N3O7 575.26315 NA MeJP NA NA +3807 peptide from soybean b-conglycinin (Glycine max) LLPHHADADY 575.2634 MH2+ Inhouse_peptide NA peptide +PJ006286 GSQER C21H37N9O10 575.2664 NA PeJP NA NA +PJ006287 NKEW C26H37N7O8 575.2704 NA PeJP NA NA +MJ082370 Nodusmicin; 19,20-Dimethoxy, 9-(1H-pyrrole-2-carboxylate) C30H41NO10 575.273046 NA MeJP NA NA +PJ006288 GLQQM C23H41N7O8S 575.2737 NA PeJP NA NA +PJ006289 SPNKM C23H41N7O8S 575.2738 NA PeJP NA NA +MJ082371 Carolisterol A; 6-Ketone C27H45NO10S 575.276417 NA MeJP NA NA +PJ006290 PPCLF C28H41N5O6S 575.2778 NA PeJP NA NA +PJ006291 SVLEE C24H41N5O11 575.2803 NA PeJP NA NA +PJ006292 PCLLM C25H45N5O6S2 575.2811 NA PeJP NA NA +PJ006293 PVVMM C25H45N5O6S2 575.2812 NA PeJP NA NA +PJ006294 SQRW C25H37N9O7 575.2816 NA PeJP NA NA +PJ006295 AAQMR C22H41N9O7S 575.285 NA PeJP NA NA +PJ006296 GKWW C30H37N7O5 575.2856 NA PeJP NA NA +PJ006297 GDKKE C23H41N7O10 575.2915 NA PeJP NA NA +PJ006298 SPPLY C28H41N5O8 575.2955 NA PeJP NA NA +PJ006299 NMRR C21H41N11O6S 575.2962 NA PeJP NA NA +2704 erythromycin inhibitor MGQKL 575.2974 NA Inhouse_peptide NA peptide +EUR925 Lyso PE 24:6 [M+Na]+ C29H48NO7P 575.298788 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR925 Lyso PE 24:6 [M+Na]+ C29H48NO7P 575.298788 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR925 Lyso PE 24:6 [M+Na]+ C29H48NO7P 575.298788 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR925 Lyso PE 24:6 [M+Na]+ C29H48NO7P 575.298788 masses lipides attendues Inhousejuil11 NA NA +PJ006300 ALLEM C25H45N5O8S 575.2989 NA PeJP NA NA +2619 synthetic fr,of human beta-CN (92-101) ACE inhibitor TVYTKGRVMP 575.3007 MH2+ Inhouse_peptide NA peptide +PJ006301 GSKER C22H41N9O9 575.3027 NA PeJP NA NA +PJ006302 ASDKR C22H41N9O9 575.3028 NA PeJP NA NA +PJ006303 DKKW C27H41N7O7 575.3068 NA PeJP NA NA +MJ082372 Viridiofungin A; 4''-Deoxy C31H45NO9 575.309432 NA MeJP NA NA +PJ006304 GLQKM C24H45N7O7S 575.3101 NA PeJP NA NA +PJ006305 GGALKM C24H45N7O7S 575.3102 NA PeJP NA NA +MJ082373 ?-Ergocryptine C32H41N5O5 575.310769 NA MeJP NA NA +MJ082374 Ergocornine; Me ether C32H41N5O5 575.310769 NA MeJP NA NA +MJ082375 Mauritine A C32H41N5O5 575.310769 NA MeJP NA NA +MJ082376 ?-Ergocryptine C32H41N5O5 575.310769 NA MeJP NA NA +C07545 alpha-Ergocryptine C32H41N5O5 575.3108 NA KEGG NA NA +PJ006306 GSTRR C21H41N11O8 575.314 NA PeJP NA NA +PJ006307 TTLLE C25H45N5O10 575.3167 NA PeJP NA NA +PJ006308 SKRW C26H41N9O6 575.318 NA PeJP NA NA +MJ082377 Detoxin D1; O-De-Ac, O-(2-methylpropanoyl) C30H45N3O8 575.320665 NA MeJP NA NA +MJ082378 Detoxin D1; O-De-Ac, O-butanoyl C30H45N3O8 575.320665 NA MeJP NA NA +PJ006309 AAKMR C23H45N9O6S 575.3214 NA PeJP NA NA +EUR907 Lyso PE 22:4 [M+FA-H]- C27H48NO7P 575.321722 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR907 Lyso PE 22:4 [M+FA-H]- C27H48NO7P 575.321722 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR907 Lyso PE 22:4 [M+FA-H]- C27H48NO7P 575.321722 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR907 Lyso PE 22:4 [M+FA-H]- C27H48NO7P 575.321722 masses lipides attendues Inhousejuil11 NA NA +EUR748 Lyso PC 18:4 [M-H+acetate]- C26H46NO7P 575.322292 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR748 Lyso PC 18:4 [M-H+acetate]- C26H46NO7P 575.322292 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR748 Lyso PC 18:4 [M-H+acetate]- C26H46NO7P 575.322292 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR748 Lyso PC 18:4 [M-H+acetate]- C26H46NO7P 575.322292 masses lipides attendues Inhousejuil11 NA NA +PJ006310 ATKKE C24H45N7O9 575.3279 NA PeJP NA NA +2666 synthetic fr, of human beta-CN (125-129) ACE inhibitor HLPLP 575.33 NA Inhouse_peptide NA peptide +PJ006311 APLLY C29H45N5O7 575.3319 NA PeJP NA NA +PJ006312 SLLLM C26H49N5O7S 575.3353 NA PeJP NA NA +PJ006313 ATTKR C23H45N9O8 575.3391 NA PeJP NA NA +PJ006314 GPKKF C28H45N7O6 575.3432 NA PeJP NA NA +MJ082379 Zygadenine; O3-Angeloyl C32H49NO8 575.345817 NA MeJP NA NA +PJ006315 GLKKM C25H49N7O6S 575.3465 NA PeJP NA NA +3669 NA KKWHLRKR 575.3525 MH2+ Inhouse_peptide NA peptide +PJ006316 STLKK C25H49N7O8 575.3643 NA PeJP NA NA +MJ082380 Erythromycin; 3-O-Deglycosyl C29H53NO10 575.366946 NA MeJP NA NA +PJ006317 ALLLF C30H49N5O6 575.3683 NA PeJP NA NA +MJ082381 16,28-Secosolanida-5,22(28)-diene-3,16-diol, 3-O-?-D-Glucopyranoside C33H53NO7 575.382203 NA MeJP NA NA +MJ082382 3,6-Cevanediol, 6-Ketone, 3-O-?-D-glucopyranoside C33H53NO7 575.382203 NA MeJP NA NA +MJ082383 3,6-Cevanediol, 3-Ketone, 6-O-?-D-glucopyranoside C33H53NO7 575.382203 NA MeJP NA NA +MJ082384 3,6-Cevanediol, 6-Ketone, 3-O-?-D-glucopyranoside C33H53NO7 575.382203 NA MeJP NA NA +MJ082385 Isorubijervine; O3-?-D-Glucopyranoside C33H53NO7 575.382203 NA MeJP NA NA +MJ082386 Leptinidine; 3-O-?-D-Glucopyranoside C33H53NO7 575.382203 NA MeJP NA NA +MJ082387 Petiline, O-?-D-Glucopyranoside C33H53NO7 575.382203 NA MeJP NA NA +MJ082388 Solangustidine; Glucoside C33H53NO7 575.382203 NA MeJP NA NA +MJ082389 Spirosol-5-en-3-ol, 3-O-?-D-Glucopyranoside C33H53NO7 575.382203 NA MeJP NA NA +HMDB10400 LysoPC(22:2(13Z,16Z)) C30H58NO7P 575.395081 NA HMDB2010 NA NA +EUR779 Lyso PC 22:2 monoisotopic mass C30H58NO7P 575.395092 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR779 Lyso PC 22:2 monoisotopic mass C30H58NO7P 575.395092 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR779 Lyso PC 22:2 monoisotopic mass C30H58NO7P 575.395092 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR779 Lyso PC 22:2 monoisotopic mass C30H58NO7P 575.395092 masses lipides attendues Inhousejuil11 NA NA +MJ082390 Sulfobacin B C32H65NO5S 575.458344 NA MeJP NA NA +MJ082391 35-Amino-3-methyl-30,31,32,33,34-bacteriohopanepentol, 30-Deoxy C36H65NO4 575.491359 NA MeJP NA NA +MJ082392 2',3,4,4',5-Pentabromo-2-hydroxydiphenyl ether C12H5Br5O2 575.620642 NA MeJP NA NA +MJ082393 2',3,4,4'-Tetrabromo-2-hydroxydiphenyl ether; 6-Bromo C12H5Br5O2 575.620642 NA MeJP NA NA +MJ082394 2,2',3,4,4'-Pentabromo-6-hydroxydiphenyl ether C12H5Br5O2 575.620642 NA MeJP NA NA +MJ082395 2,2',3,4,5-Pentabromo-6-hydroxydiphenyl ether C12H5Br5O2 575.620642 NA MeJP NA NA +7373 celiac sprue gluten epitope found in hordein PRPQQPFPW 575.786 MH2+ Inhouse_peptide NA peptide +MJ082396 Tetrafucol A; 5'-Bromo C24H17BrO12 575.990338 NA MeJP NA NA +MJ082397 Vinaxanthone C28H16O14 576.054005 NA MeJP NA NA +MJ082398 [29H,31H-Phthalocyaninato(2-)-N29,N30,N31,N32]zinc C32H16N8Zn 576.078939 NA MeJP NA NA +MJ082399 Aurantricholone C33H20O10 576.105646 NA MeJP NA NA +MJ082400 Arbutin; 4,6-Bis-O-(3,4,5-trihydroxybenzoyl) C26H24O15 576.11152 NA MeJP NA NA +FL5FAGGS0035 Myricetin 3-(2'',3'',4''-triacetylxyloside);5,7-Dihydroxy-3-[(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C26H24O15 576.11152 481070-27-3 knapsack NA NA +CJpos0824 Hippuric acid [(3M-H+Ca)]+ (13C) C2613CH26CaN3O9 576.124475 C18rt(min)=5.87 Pos identified a,c,d banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0824 Hippuric acid [(3M-H+Ca)]+ (13C) C2613CH26CaN3O9 576.124475 C18rt(min)=5.87 Pos identified a,c,d base_CJunot_PubAnalChem2012_POS positive NA +MJ082401 Bisbendazole C28H28N6S4 576.125827 NA MeJP NA NA +MJ082402 3,3',4',5,7-Pentahydroxyflavan(2?5,4?6)-3,3',4',5,7-pentahydroxyflavan C30H24O12 576.126776 NA MeJP NA NA +MJ082403 3,3',4',5,7-Pentahydroxyflavan(2?7,4?6)-3,3',4',5,7-pentahydroxyflavan C30H24O12 576.126776 NA MeJP NA NA +MJ082404 3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavanone C30H24O12 576.126776 NA MeJP NA NA +MJ082405 Procyanidin A1 C30H24O12 576.126776 NA MeJP NA NA +C10237 Proanthocyanidin A2 C30H24O12 576.1268 NA KEGG NA NA +MJ082406 Mulberrofuran S C34H24O9 576.142032 NA MeJP NA NA +MJ082407 Plumbazeylanone C34H24O9 576.142032 NA MeJP NA NA +FL1C3CGS0006 Okanin 4'-(2'',4'',6''-triacetylglucoside) C27H28O14 576.1479 115070-74-1 knapsack NA NA +FL1C3CGS0007 Okanin 4'-(3'',4'',6''-triacetylglucoside) C27H28O14 576.1479 135618-14-3 knapsack NA NA +FL2F3CGS0003 7,8,3',4'-Tetrahydroxyflavanone 7-(2,4,6-triacetylglucoside) C27H28O14 576.1479 194600-21-0 knapsack NA NA +FL3FAACS0041 Vitexin 6''-(3-hydroxy-3-methylglutarate) C27H28O14 576.1479 154639-29-9 knapsack NA NA +FL3FAAGS0067 Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside];Chamaemeloside;7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C27H28O14 576.1479 173356-77-9 knapsack NA NA +FL3FACCS0044 Maysin C27H28O14 576.1479 70255-49-1 knapsack NA NA +FL3FACCS0054 Cassiaoccidentalin B;6-[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-L-ribo-hexopyranos-3-ulos-1-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C27H28O14 576.1479 259876-00-1 knapsack NA NA +MJ082408 2',3,3',4,4'-Pentahydroxychalcone, 4'-O-(3,4,6-Tri-O-acetyl-?-D-glucopyranoside) C27H28O14 576.147905 NA MeJP NA NA +MJ082409 2,5-Dihydroxybenzyl 1,2,6-trihydroxy-5-oxo-3-cyclohexene-1-carboxylate; 2'-O-(6-O-Benzoyl-?-D-glucopyranoside) C27H28O14 576.147905 NA MeJP NA NA +MJ082410 3',4',7,8-Tetrahydroxyflavanone, 7-O-(2,4,6-Tri-O-acetyl-?-D-glucopyranoside) C27H28O14 576.147905 NA MeJP NA NA +MJ082411 5,7-Dihydroxy-4'-methoxy-8-hexosyl-6-pentosylflavone C27H28O14 576.147905 NA MeJP NA NA +MJ082412 Cassiaoccidentalin B C27H28O14 576.147905 NA MeJP NA NA +MJ082413 Cosmosiin; 6''-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl) C27H28O14 576.147905 NA MeJP NA NA +MJ082414 Maysin C27H28O14 576.147905 NA MeJP NA NA +MJ082415 Trilobatin A; 1''-Me ester C27H28O14 576.147905 NA MeJP NA NA +MJ082416 Vitexin; 6''-O-(3-Hydroxy-3-methylglutaroyl) C27H28O14 576.147905 NA MeJP NA NA +MJ082417 Cardinalin 4 C31H28O11 576.163161 NA MeJP NA NA +MJ082418 Cercosporin; Diastereoisomer, 2'-Ac C31H28O11 576.163161 NA MeJP NA NA +MJ082419 Ventiloquinone N C31H28O11 576.163161 NA MeJP NA NA +PJ006318 SCCQH C20H32N8O8S2 576.1785 NA PeJP NA NA +MJ082420 Dexamethasone; 21-(3-Sulfobenzoyl) C29H33FO9S 576.182931 NA MeJP NA NA +FLIA1AGS0006 Formononetin 7-O-rutinoside C28H32O13 576.18429 51351-35-0 knapsack NA NA +MJ082421 10-Hydroxyaloin, 1''-O-(3-Hydroxy-2-methylbutanoyl)(2R,3S-), 6'-Ac C28H32O13 576.184291 NA MeJP NA NA +MJ082422 2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl), 14-(3-methyl-2-butenoyl), 9,13-di-Ac C28H32O13 576.184291 NA MeJP NA NA +MJ082423 2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 14-(4-hydroxy-3-methyl-2E-butenoyl), 9,13-di-Ac C28H32O13 576.184291 NA MeJP NA NA +MJ082424 5,6,7-Trihydroxyflavone; 7-Me ether, 6-O-[?-L-rhamnopyranosyl-(1?2)-?-D-fucopyranoside] C28H32O13 576.184291 NA MeJP NA NA +MJ082425 7-Hydroxy-4'-methoxyisoflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O13 576.184291 NA MeJP NA NA +MJ082426 7-Hydroxy-4'-methoxyisoflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C28H32O13 576.184291 NA MeJP NA NA +MJ082427 Antibiotic MM 44785 C28H32O13 576.184291 NA MeJP NA NA +MJ082428 Podophyllotoxin; 7-O-?-D-Glucopyranoside C28H32O13 576.184291 NA MeJP NA NA +MJ082429 Podophyllotoxin; 8'-Epimer, O-?-D-glucopyranoside C28H32O13 576.184291 NA MeJP NA NA +MJ082430 ?-Peltatin; 4'-Me ether, 6-O-?-D-glucopyranoside C28H32O13 576.184291 NA MeJP NA NA +PJ006319 PCNDE C21H32N6O11S 576.185 NA PeJP NA NA +PJ006320 CEYY C26H32N4O9S 576.189 NA PeJP NA NA +PJ006321 GSSSCH C20H32N8O10S 576.1962 NA PeJP NA NA +PJ006322 GPCDW C25H32N6O8S 576.2003 NA PeJP NA NA +PJ006323 GNEEE C21H32N6O13 576.2028 NA PeJP NA NA +PJ006324 GPPTCC C22H36N6O8S2 576.2036 NA PeJP NA NA +PJ006325 GCNHF C24H32N8O7S 576.2115 NA PeJP NA NA +PJ006326 GDDDR C20H32N8O12 576.214 NA PeJP NA NA +PJ006327 SCCKH C21H36N8O7S2 576.2149 NA PeJP NA NA +PJ006328 NEEW C25H32N6O10 576.218 NA PeJP NA NA +MJ082431 1,6,8,14,30-Pentahydroxy-3-oxo[3.3.110,2.11,4]tricyclomeliac-7-oic acid; 1-Ac, Me ester C29H36O12 576.220676 NA MeJP NA NA +MJ082432 2-(4-Hydroxyphenyl)ethanol; 1-O-[4-O-Cinnamoyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H36O12 576.220676 NA MeJP NA NA +MJ082433 Hinokiresinol, Di-O-?-D-glucopyranoside C29H36O12 576.220676 NA MeJP NA NA +PJ006329 SPNEM C22H36N6O10S 576.2214 NA PeJP NA NA +MJ082434 Saframycin AD-1 C30H32N4O8 576.222014 NA MeJP NA NA +PJ006330 TMYY C27H36N4O8S 576.2254 NA PeJP NA NA +MJ082435 Dehatridine C35H32N2O6 576.226036 NA MeJP NA NA +MJ082436 Kohatine; 1',2'-Didehydro, O12'-Me C35H32N2O6 576.226036 NA MeJP NA NA +MJ082437 Kohatine; 1',2'-Didehydro, di-Me ether, N2-De-Me C35H32N2O6 576.226036 NA MeJP NA NA +MJ082438 Menisarine; O-De-Me C35H32N2O6 576.226036 NA MeJP NA NA +MJ082439 Philogaline C35H32N2O6 576.226036 NA MeJP NA NA +MJ082440 Stephasubine; N-De-Me C35H32N2O6 576.226036 NA MeJP NA NA +PJ006331 GSNNW C24H32N8O9 576.2292 NA PeJP NA NA +PJ006332 GGGSNW C24H32N8O9 576.2293 NA PeJP NA NA +PJ006333 SPCDR C21H36N8O9S 576.2326 NA PeJP NA NA +PJ006334 GEWW C29H32N6O7 576.2333 NA PeJP NA NA +MJ082441 Morellin; 29-Carboxylic acid, ?18-isomer, 17-hydroxy C33H36O9 576.235932 NA MeJP NA NA +PJ006335 GSPMW C26H36N6O7S 576.2366 NA PeJP NA NA +PJ006336 ATQEE C22H36N6O12 576.2391 NA PeJP NA NA +PJ006337 GDKEE C22H36N6O12 576.2392 NA PeJP NA NA +PJ006338 APQMM C23H40N6O7S2 576.24 NA PeJP NA NA +MJ082442 Ebuloside; 6'-O-Apiosyl C26H40O14 576.241805 NA MeJP NA NA +MJ082443 Jasmesosidic acid; 9''-Hydroxy C26H40O14 576.241805 NA MeJP NA NA +MJ082444 Cholest-5-ene-2,3,21-triol, 24,25-Didehydro, 2,21-disulfate C27H44O9S2 576.242674 NA MeJP NA NA +MJ082445 Cholesta-5,22-diene-2,3,21-triol, 3,21-Disulfate C27H44O9S2 576.242674 NA MeJP NA NA +MJ082446 Cholesta-5,22-diene-3,4,21-triol, 3,21-Disulfate C27H44O9S2 576.242674 NA MeJP NA NA +MJ082447 Cholesta-5,25-diene-3,4,21-triol, 3,21-Disulfate C27H44O9S2 576.242674 NA MeJP NA NA +PJ006339 GCNQR C20H36N10O8S 576.2438 NA PeJP NA NA +PJ006340 GGGCQR C20H36N10O8S 576.2439 NA PeJP NA NA +MJ082448 Deserpideine C32H36N2O8 576.247166 NA MeJP NA NA +MJ082449 Picraline; 10-Methoxy, Na-Me, O-de-Ac, O-(3,4-dimethoxybenzoyl) C32H36N2O8 576.247166 NA MeJP NA NA +MJ082450 Polycephalin C C32H36N2O8 576.247166 NA MeJP NA NA +MJ082451 Vincamajine; 10-Hydroxy, O-(3,4,5-trimethoxybenzoyl) C32H36N2O8 576.247166 NA MeJP NA NA +MJ082452 Vincamajine; O-(3,4,5-Trimethoxybenzoyl), N4-oxide C32H36N2O8 576.247166 NA MeJP NA NA +PJ006341 WWW C33H32N6O4 576.2485 NA PeJP NA NA +PJ006342 GSEER C21H36N8O11 576.2504 NA PeJP NA NA +PJ006343 PVCCR C22H40N8O6S2 576.2512 NA PeJP NA NA +PJ006344 APCMR C22H40N8O6S2 576.2513 NA PeJP NA NA +PJ006345 DKEW C26H36N6O9 576.2544 NA PeJP NA NA +PJ006346 HHHF C27H32N10O5 576.2557 NA PeJP NA NA +MJ082453 16-Kaurene-1,3,6,7,11,15-hexol, 15-Ketone, penta-Ac C30H40O11 576.257062 NA MeJP NA NA +MJ082454 16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, penta-Ac C30H40O11 576.257062 NA MeJP NA NA +MJ082455 5,11,14-Trihydroxy-19-oxobufa-3,20,22-trienolide, 5-O-?-D-Glucopyranoside C30H40O11 576.257062 NA MeJP NA NA +MJ082456 8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 2-Butanoyl, 4,9,14-tri-Ac C30H40O11 576.257062 NA MeJP NA NA +MJ082457 8,17-Epoxy-2,9,12,14-tetrahydroxy-3,5-briaradien-18,7-olide; 12-Butanoyl, 2,9,14-tri-Ac C30H40O11 576.257062 NA MeJP NA NA +MJ082458 Affinoside B; 4'?-Hydroxy C30H40O11 576.257062 NA MeJP NA NA +MJ082459 Anodendroside E1 C30H40O11 576.257062 NA MeJP NA NA +MJ082460 Taxamaitriene C30H40O11 576.257062 NA MeJP NA NA +PJ006347 GLQEM C23H40N6O9S 576.2578 NA PeJP NA NA +PJ006348 TFFY C31H36N4O7 576.2584 NA PeJP NA NA +PJ006349 SSNNR C20H36N10O10 576.2616 NA PeJP NA NA +C09667 Tiliacorine C36H36N2O5 576.2624 NA KEGG NA NA +MJ082461 Apateline; Me ether, N-Me C36H36N2O5 576.262422 NA MeJP NA NA +MJ082462 Dinklacorine C36H36N2O5 576.262422 NA MeJP NA NA +MJ082463 Isotrilobine C36H36N2O5 576.262422 NA MeJP NA NA +MJ082464 Tiliacorine C36H36N2O5 576.262422 NA MeJP NA NA +MJ082465 Tiliacorinine C36H36N2O5 576.262422 NA MeJP NA NA +MJ082466 Tiliaresine C36H36N2O5 576.262422 NA MeJP NA NA +MJ082467 Yanangcorinine C36H36N2O5 576.262422 NA MeJP NA NA +PJ006350 SERW C25H36N8O8 576.2656 NA PeJP NA NA +PJ006351 AAEMR C22H40N8O8S 576.269 NA PeJP NA NA +PJ006352 SVWW C30H36N6O6 576.2697 NA PeJP NA NA +MJ082468 Japoangelol A C34H40O8 576.272318 NA MeJP NA NA +MJ082469 Japoangelol B C34H40O8 576.272318 NA MeJP NA NA +MJ082470 Moreollin; (E)-Isomer, 10-O-de-Et, 10-O-Me C34H40O8 576.272318 NA MeJP NA NA +PJ006353 LQMW C27H40N6O6S 576.273 NA PeJP NA NA +PJ006354 ATKEE C23H40N6O11 576.2755 NA PeJP NA NA +PJ006355 APKMM C24H44N6O6S2 576.2764 NA PeJP NA NA +PJ006356 GVQHH C24H36N10O7 576.2769 NA PeJP NA NA +MJ082471 1,4,6,15-Tetrahydroxy-11(13)-eudesmen-12-oic acid, 1-(2-Hydroxy-3-methylbutanoyl), 15-O-?-D-glucopyranoside, Me ester C27H44O13 576.278191 NA MeJP NA NA +MJ082472 3,11-Dihydroxy-3-eudesmen-2-one; 3,11-Di-O-?-D-glucopyranoside C27H44O13 576.278191 NA MeJP NA NA +PJ006357 DMRR C21H40N10O7S 576.2802 NA PeJP NA NA +PJ006358 GGGCKR C21H40N10O7S 576.2803 NA PeJP NA NA +3336 human beta-casein fr, 52-61 FAQTQSLVYP 576.2835 MH2+ Inhouse_peptide NA peptide +7664 ACE inhibitor YAEERYPIL 576.284 MH2+ Inhouse_peptide NA peptide +PJ006359 CLRW C26H40N8O5S 576.2843 NA PeJP NA NA +PJ006360 ATTER C22H40N8O10 576.2868 NA PeJP NA NA +PJ006361 QHHR C23H36N12O6 576.2881 NA PeJP NA NA +PJ006362 GTTLW C27H40N6O8 576.2908 NA PeJP NA NA +MJ082473 18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 2-Me ether, 7-butanoyl, 6,18,19-tri-Ac C31H44O10 576.293447 NA MeJP NA NA +MJ082474 3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 3-O-(6-Deoxy-3-O-methyl-?-D-galactopyranoside) C31H44O10 576.293447 NA MeJP NA NA +MJ082475 Ingol; 2-Epimer, 7-(2-methylbutanoyl), 3,8,12-tri-Ac C31H44O10 576.293447 NA MeJP NA NA +MJ082476 Ingol; 8-(2-Methylbutanoyl), 3,7,12-tri-Ac C31H44O10 576.293447 NA MeJP NA NA +MJ082477 Ingol; 8-(3-Methylbutanoyl), 3,7,12-tri-Ac C31H44O10 576.293447 NA MeJP NA NA +MJ082478 Oscillatoxin B1; 31-De-Me C31H44O10 576.293447 NA MeJP NA NA +PJ006363 PTTKM C24H44N6O8S 576.2941 NA PeJP NA NA +PJ006364 GLKEM C24H44N6O8S 576.2942 NA PeJP NA NA +MJ082479 2,3,4,6,7,22-Hexahydroxyergostan-15-one, 2-Sulfate C28H48O10S 576.296818 NA MeJP NA NA +7481 ACE inhibitor (fragment of k-casein: 185-190) VTSTAV 576.299 antioxidative Inhouse_peptide NA peptide +PJ006365 AAPRY C26H40N8O7 576.302 NA PeJP NA NA +MJ082480 Antibiotic TAN 420; Antibiotic TAN 420E C30H44N2O9 576.304681 NA MeJP NA NA +PJ006366 GTLMR C23H44N8O7S 576.3054 NA PeJP NA NA +PJ006367 PKFW C31H40N6O5 576.306 NA PeJP NA NA +MJ082481 Tryptophyllin L 4.1 C31H40N6O5 576.306018 NA MeJP NA NA +FL4DALNI0011 Sanggenol E;3,5,7,2',4'-Pentahydroxy-8,5'-diprenyl-3'-geranylflavanone C35H44O7 576.3087 174423-34-8 knapsack NA NA +MJ082482 Sanggenol E C35H44O7 576.308703 NA MeJP NA NA +MJ082483 Vilasinin; 20,21,22,23-Tetrahydro, 23-oxo, 1-cinnamoyl C35H44O7 576.308703 NA MeJP NA NA +PJ006368 LKMW C28H44N6O5S 576.3094 NA PeJP NA NA +PJ006369 STLKE C24H44N6O10 576.3119 NA PeJP NA NA +PJ006370 APPHR C25H40N10O6 576.3133 NA PeJP NA NA +2726 erythromycin inhibitor MSLKV 576.3184 NA Inhouse_peptide NA peptide +MJ082484 Paspalinine; 14?-(2-Dimethylamino-3-methylbutoxy)(S-) C34H44N2O6 576.319937 NA MeJP NA NA +PJ006371 STTLR C23H44N8O9 576.3231 NA PeJP NA NA +PJ006372 GGSTKK C23H44N8O9 576.3232 NA PeJP NA NA +PJ006373 KHHR C24H40N12O5 576.3245 NA PeJP NA NA +PJ006374 GPLKY C28H44N6O7 576.3272 NA PeJP NA NA +MJ082485 18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 2-(3-Hydroxyoctanoyl), 18,19-di-Ac C32H48O9 576.329833 NA MeJP NA NA +MJ082486 3,11,24-Trihydroxy-25,26,27-trinorcycloart-7-ene-16,23-dione, 3-O-?-D-Xylopyranoside C32H48O9 576.329833 NA MeJP NA NA +MJ082487 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(2,6-dideoxy-3-O-methyl-?-D-lyxo-hexopyranoside) C32H48O9 576.329833 NA MeJP NA NA +MJ082488 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(2,6-dideoxy-3-O-methyl-D-ribo-hexopyranoside) C32H48O9 576.329833 NA MeJP NA NA +MJ082489 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(2,6-dideoxy-3-O-methyl-L-arabino-hexopyranoside) C32H48O9 576.329833 NA MeJP NA NA +MJ082490 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(2,6-dideoxy-3-O-methyl-xylo-hexopyranoside) C32H48O9 576.329833 NA MeJP NA NA +MJ082491 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(2,6-dideoxy-3-O-methyl-?-L-ribo-hexopyranoside) C32H48O9 576.329833 NA MeJP NA NA +MJ082492 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2-O-Acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside) C32H48O9 576.329833 NA MeJP NA NA +MJ082493 3,14-Dihydroxycard-20(22)-enolide, 3-O-(2-O-Acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside) C32H48O9 576.329833 NA MeJP NA NA +MJ082494 3,14-Dihydroxycard-20(22)-enolide, 3-O-(O-Acetyl-6-deoxy-3-O-methyl-?-L-allopyranoside) C32H48O9 576.329833 NA MeJP NA NA +MJ082495 3,14-Dihydroxycard-20(22)-enolide, 3-O-(O-Acetyl-6-deoxy-3-O-methyl-?-L-mannopyranoside) C32H48O9 576.329833 NA MeJP NA NA +MJ082496 Foetidinol; 3-O-?-D-Xylopyranoside C32H48O9 576.329833 NA MeJP NA NA +MJ082497 Galphimine B; 6?-Acetoxy C32H48O9 576.329833 NA MeJP NA NA +MJ082498 Spirostane-2,3,4-triol, 3-Methoxalyl, 4-Ac C32H48O9 576.329833 NA MeJP NA NA +MetaCyc03887 23,24-dihydrocucurbitacin A [] C32H48O9 576.329833 NA metacyc NA NA +PJ006375 SVLKM C25H48N6O7S 576.3305 NA PeJP NA NA +PJ006376 AALFR C27H44N8O6 576.3384 NA PeJP NA NA +PJ006377 ACKKK C24H48N8O6S 576.3418 NA PeJP NA NA +MJ082499 Tetromycin B; 9-Ac C36H48O6 576.345089 NA MeJP NA NA +PJ006378 VFRR C26H44N10O5 576.3496 NA PeJP NA NA +MJ082500 Buxafuranamide C35H48N2O5 576.356322 NA MeJP NA NA +MJ082501 Buxapapinolamine C35H48N2O5 576.356322 NA MeJP NA NA +MJ082502 O10-Buxafuranamine C35H48N2O5 576.356322 NA MeJP NA NA +MJ082503 O6-Buxafuranamine C35H48N2O5 576.356322 NA MeJP NA NA +PJ006379 SSKKK C24H48N8O8 576.3595 NA PeJP NA NA +PJ006380 GLLKF C29H48N6O6 576.3636 NA PeJP NA NA +MJ082504 3,6-Dihydroxycholesta-9(11),24-dien-23-one, 6-O-(?-D-Glucopyranoside) C33H52O8 576.366218 NA MeJP NA NA +MJ082505 6-Hydroxyspirostan-3-one, 6-O-?-L-Rhamnopyranoside C33H52O8 576.366218 NA MeJP NA NA +MJ082506 Antibiotic PD 118576 C33H52O8 576.366218 NA MeJP NA NA +MJ082507 Cholest-7-ene-3,4,6,11,22-pentol, 3,4,6-Tri-Ac C33H52O8 576.366218 NA MeJP NA NA +MJ082508 Cholest-8-ene-3,5,6,7,11-pentol, 3,6,7-Tri-Ac C33H52O8 576.366218 NA MeJP NA NA +MJ082509 Spirost-5-en-3-ol, 3-O-?-D-Galactopyranoside C33H52O8 576.366218 NA MeJP NA NA +MJ082510 Spirost-5-en-3-ol, 3-O-?-D-Glucopyranoside C33H52O8 576.366218 NA MeJP NA NA +MJ082511 3-Hydroxy-14-taraxeren-28-oic acid, 3-(4-Hydroxybenzoyl) C37H52O5 576.381474 NA MeJP NA NA +MJ082512 Exophilin A C30H56O10 576.387348 NA MeJP NA NA +MJ082513 Thorexanthin C41H52O2 576.39673 NA MeJP NA NA +MJ082514 1,5,6,7,14-Vouacapanepentol, O-Tetradecanoyl C34H56O7 576.402604 NA MeJP NA NA +MJ082515 Ergosta-5,24(28)-diene-3,7,16-triol, 3-O-?-L-Fucopyranoside C34H56O7 576.402604 NA MeJP NA NA +MJ082516 Phomenolactone C34H56O7 576.402604 NA MeJP NA NA +MJ082517 Raspacionin C34H56O7 576.402604 NA MeJP NA NA +MJ082518 Venturicidin B; Aglycone C34H56O7 576.402604 NA MeJP NA NA +3754 NA KLKLLLKLKG 576.4085 MH2+ Inhouse_peptide NA peptide +HMDB00977 3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid C38H56O4 576.417847 NA HMDB2010 NA NA +HMDB06820 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone C38H56O4 576.417847 NA HMDB2010 NA NA +HMDB00977 3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid C38H56O4 576.41785 http://www.hmdb.ca/metabolites/HMDB00977 HMDB NA NA +HMDB06820 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone C38H56O4 576.41785 http://www.hmdb.ca/metabolites/HMDB06820 HMDB NA NA +HMDB00977 3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid C38H56O4 576.41785 HMDB00977 PFEM_hmdb_metabocards_official NA NA +HMDB06820 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone C38H56O4 576.41785 HMDB06820 PFEM_hmdb_metabocards_official NA NA +MJ082519 12,28-Epoxy-3,28-ursanediol, 28-Me ether, 3-benzoyl C38H56O4 576.41786 NA MeJP NA NA +MJ082520 Ergost-5-en-3-ol, 4-Hydroxy-3-methoxycinnamoyl C38H56O4 576.41786 NA MeJP NA NA +MetaCyc03888 3-hexaprenyl-4-hydroxy-5-methoxybenzoate [3-(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid;] C38H56O4 576.41786 NA metacyc NA NA +C05313 3-Hexaprenyl-4-hydroxy-5-methoxybenzoate C38H56O4 576.4179 NA KEGG NA NA +C05805 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone C38H56O4 576.4179 NA KEGG NA NA +C05807 2-Polyprenylphenol C11H14O 576.4179 NA KEGG NA NA +C05808 5-Hydroxy-2-polyprenylphenol C11H14O2 576.4179 NA KEGG NA NA +MJ082521 10,10'-Methylenebis(norvallesamidine) C39H52N4 576.419197 NA MeJP NA NA +MJ082522 Menabitan C37H56N2O3 576.429093 NA MeJP NA NA +MJ082523 Dammarane-3,12,20,24,25-pentol, 24,25-Isopropylidene, 12-Ac C35H60O6 576.438989 NA MeJP NA NA +MJ082524 Stigmast-5-en-3-ol, O-?-D-Galactopyranoside C35H60O6 576.438989 NA MeJP NA NA +MJ082525 Stigmast-5-en-3-ol, O-?-D-Glucopyranoside C35H60O6 576.438989 NA MeJP NA NA +MJ082526 Stigmast-7-en-3-ol, 3-O-?-D-Glucopyranoside C35H60O6 576.438989 NA MeJP NA NA +MJ082527 1,3,25-Hexacosanetriol, 1-O-?-D-Glucopyranoside C32H64O8 576.460119 NA MeJP NA NA +MJ082528 2-Methyl-29-(1,2,3,4,5-pentahydroxypentyl)hopane C36H64O5 576.475375 NA MeJP NA NA +MJ082529 2-Methyl-29-(2,3,4,5-tetrahydroxypentyl)-29-hopanol C36H64O5 576.475375 NA MeJP NA NA +HMDB07075 DG(15:0/18:3(6Z,9Z,12Z)/0:0) C36H64O5 576.475403 NA HMDB2010 NA NA +HMDB07076 DG(15:0/18:3(9Z,12Z,15Z)/0:0) C36H64O5 576.475403 NA HMDB2010 NA NA +HMDB07271 DG(18:3(6Z,9Z,12Z)/15:0/0:0) C36H64O5 576.475403 NA HMDB2010 NA NA +HMDB07300 DG(18:3(9Z,12Z,15Z)/15:0/0:0) C36H64O5 576.475403 NA HMDB2010 NA NA +MJ082530 Fritillebinide C; 3-Deacetoxy C40H64O2 576.490631 NA MeJP NA NA +MJ082531 Cohibin C C37H68O4 576.51176 NA MeJP NA NA +MJ082532 Cohibin D C37H68O4 576.51176 NA MeJP NA NA +MJ082533 1-Hydroxy-1,2-dihydrophytoene; Me ether C41H68O 576.527016 NA MeJP NA NA +MJ082534 3-Methyl-3-buten-1-ol; Tetratriacontanoyl C39H76O2 576.584531 NA MeJP NA NA +MJ082535 13,17-Dimethylnonatriacontane C41H84 576.657302 NA MeJP NA NA +5447 cearidin 1,4 GLLDGLLGGLGLG 576.82845 MH2+ Inhouse_peptide NA peptide +MJ082536 Antibiotic M 138 C15H19N3O15S3 576.997829 NA MeJP NA NA +MJ082537 Cuprimyxin C26H18CuN4O8 577.042064 NA MeJP NA NA +C04896 5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)- C15H25N5O15P2 577.0822 NA KEGG NA NA +C04898 Oligosaccharide with terminal C7H9O6 577.0822 NA KEGG NA NA +C04916 N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D- C15H25N5O15P2 577.0822 NA KEGG NA NA +C04917 N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,3)- C24H40N3O16R 577.0822 NA KEGG NA NA +HMDB12277 PhosphoribosylformiminoAICAR-phosphate C15H25N5O15P2 577.082214 NA HMDB2010 NA NA +HMDB12278 Phosphoribulosylformimino-AICAR-P C15H25N5O15P2 577.082214 NA HMDB2010 NA NA +MJ082538 5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide C15H25N5O15P2 577.082238 NA MeJP NA NA +MJ082539 N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)-4-imidazolecarboxamide C15H25N5O15P2 577.082238 NA MeJP NA NA +MetaCyc03889 phosphoribulosylformimino-AICAR-P [5-[(5-phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide;N-(5'-phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phosphoribosyl)-4-imidazolecarboxamide;phosphoribulosylformiminoAICAR-phosphate;phosphoribulosyl-formimino-5-aminoimidazole-4-carboxamide ribotide phosphate;phosphoribulosyl-formimino-5-aminoimidazole-4-carboxamide ribonucleotide phosphate;PRFAR;N-(5'phospho-D-1'-ribulosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;] C15H25N5O15P2 577.082238 NA metacyc NA NA +MetaCyc03890 phosphoribosylformiminoAICAR-phosphate [1-(5-Phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide;phosphoribosyl-formimino-aicar-P;phosphoribosylformiminoAICAR-P;5-(5-phospho-D-ribosyl-aminoformimino)-1-(5-phosphoribosyl)-imidazole4-carboxamide;5-(5'-phospho-D-ribosyl-aminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-5-phosphoribosyl-formimino-5-amino-imidazole-4-carboxamide ribonucleotide;N-(5'-phospho-D-ribosylformimino)-5-amino-1-(5''-phosphoribosyl)-4-imidazolecarboxamide;] C15H25N5O15P2 577.082238 NA metacyc NA NA +PJ006381 CCCCF C21H31N5O6S4 577.1157 NA PeJP NA NA +PJ006382 SCCCY C21H31N5O8S3 577.1335 NA PeJP NA NA +MJ082540 Aqua[10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato]gadolinium C17H31GdN4O8 577.138289 NA MeJP NA NA +MJ082541 N-[6-(2-Hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(1H-tetrazol-5-yl)-4-pyridinyl]-4-pyrimidinyl]-5-methyl-2-pyridinesulfonamide C25H23N9O6S 577.1492 NA MeJP NA NA +PJ006383 SCCEH C20H31N7O9S2 577.1625 NA PeJP NA NA +PJ006384 PCDDE C21H31N5O12S 577.169 NA PeJP NA NA +PJ006385 GCMMH C21H35N7O6S3 577.1811 NA PeJP NA NA +PJ006386 GDEEE C21H31N5O14 577.1868 NA PeJP NA NA +MJ082542 Oxyphenisatin; O,O-Bis(3-phenyl-2-propenoyl) C38H27NO5 577.188922 NA MeJP NA NA +PJ006387 CNNNN C19H31N9O10S 577.1915 NA PeJP NA NA +MJ082543 Ravidomycin; N,N-Di-de-Me, N-Ac C31H31NO10 577.194796 NA MeJP NA NA +MJ082544 Stilbazium(1+); Iodide C31H36IN3 577.195391 NA MeJP NA NA +PJ006388 GCDHF C24H31N7O8S 577.1955 NA PeJP NA NA +PJ006389 SNNDE C20H31N7O13 577.198 NA PeJP NA NA +PJ006390 STCMH C21H35N7O8S2 577.1989 NA PeJP NA NA +PJ006391 DEEW C25H31N5O11 577.202 NA PeJP NA NA +PJ006392 SPDEM C22H35N5O11S 577.2054 NA PeJP NA NA +PJ006393 PPCMM C23H39N5O6S3 577.2063 NA PeJP NA NA +PJ006394 GSNDW C24H31N7O10 577.2133 NA PeJP NA NA +PJ006395 GNQEM C21H35N7O10S 577.2166 NA PeJP NA NA +PJ006396 GGGGAEM C21H35N7O10S 577.2167 NA PeJP NA NA +PJ006397 PPCDF C26H35N5O8S 577.2207 NA PeJP NA NA +PJ006398 ATEEE C22H35N5O13 577.2232 NA PeJP NA NA +PJ006399 APEMM C23H39N5O8S2 577.224 NA PeJP NA NA +PJ006400 GCNER C20H35N9O9S 577.2279 NA PeJP NA NA +MJ082545 Barbisine C32H35NO9 577.231181 NA MeJP NA NA +MJ082546 Vakognavine; O15-De-Ac C32H35NO9 577.231181 NA MeJP NA NA +PJ006401 NQMW C25H35N7O7S 577.2319 NA PeJP NA NA +PJ006402 SSQQE C21H35N7O12 577.2344 NA PeJP NA NA +PJ006403 PCCQK C22H39N7O7S2 577.2353 NA PeJP NA NA +PJ006404 GNNHH C22H31N11O8 577.2357 NA PeJP NA NA +PJ006405 GGGGGHH C22H31N11O8 577.2358 NA PeJP NA NA +PJ006406 SPPDY C26H35N5O10 577.2384 NA PeJP NA NA +PJ006407 GLEEM C23H39N5O10S 577.2418 NA PeJP NA NA +PJ006408 CNRW C24H35N9O6S 577.2431 NA PeJP NA NA +PJ006409 SSNDR C20H35N9O11 577.2456 NA PeJP NA NA +PJ006410 GSTQW C25H35N7O9 577.2496 NA PeJP NA NA +PJ006411 GGGTTW C25H35N7O9 577.2497 NA PeJP NA NA +PJ006412 GNKEM C22H39N7O9S 577.253 NA PeJP NA NA +PJ006413 PEFW C30H35N5O7 577.2537 NA PeJP NA NA +PJ006414 LEMW C27H39N5O7S 577.257 NA PeJP NA NA +PJ006415 STLEE C23H39N5O12 577.2595 NA PeJP NA NA +PJ006416 SPLMM C24H43N5O7S2 577.2604 NA PeJP NA NA +PJ006417 GVEHH C24H35N9O8 577.2609 NA PeJP NA NA +PJ006418 GSQMR C21H39N9O8S 577.2642 NA PeJP NA NA +PJ006419 ASNMR C21H39N9O8S 577.2643 NA PeJP NA NA +PJ006420 QHFF C29H35N7O6 577.2649 NA PeJP NA NA +PJ006421 NKMW C26H39N7O6S 577.2683 NA PeJP NA NA +PJ006422 SSQKE C22H39N7O11 577.2708 NA PeJP NA NA +PJ006423 PCCKK C23H43N7O6S2 577.2716 NA PeJP NA NA +PJ006424 EHHR C23H35N11O7 577.2721 NA PeJP NA NA +PJ006425 GPLEY C27H39N5O9 577.2748 NA PeJP NA NA +PJ006426 GSCRR C20H39N11O7S 577.2755 NA PeJP NA NA +PJ006427 VHHW C28H35N9O5 577.2761 NA PeJP NA NA +PJ006428 SVLEM C24H43N5O9S 577.2782 NA PeJP NA NA +PJ006429 SSTQR C21H39N9O10 577.282 NA PeJP NA NA +PJ006430 GSTKW C26H39N7O8 577.286 NA PeJP NA NA +PJ006431 GDKKM C23H43N7O8S 577.2894 NA PeJP NA NA +PJ006432 PLYW C31H39N5O6 577.29 NA PeJP NA NA +PJ006433 APPFF C31H39N5O6 577.2901 NA PeJP NA NA +MJ082547 Carolisterol A C27H47NO10S 577.292067 NA MeJP NA NA +PJ006434 APLMF C28H43N5O6S 577.2934 NA PeJP NA NA +PJ006435 ALLMM C25H47N5O6S2 577.2968 NA PeJP NA NA +PJ006436 QQFR C25H39N9O7 577.2973 NA PeJP NA NA +3332 human beta-casein fr, 57-61 SLVYP 577.299 celiac toxic Inhouse_peptide NA peptide +3787 NA YPVSL 577.299 ACE inhibitor Inhouse_peptide NA peptide +PJ006437 GSKMR C22H43N9O7S 577.3006 NA PeJP NA NA +PJ006438 KHFF C30H39N7O5 577.3013 NA PeJP NA NA +PJ006439 SSKKE C23H43N7O10 577.3072 NA PeJP NA NA +PJ006440 SPVLY C28H43N5O8 577.3112 NA PeJP NA NA +PJ006441 TTLLM C25H47N5O8S 577.3145 NA PeJP NA NA +PJ006442 SSTKR C22H43N9O9 577.3184 NA PeJP NA NA +PJ006443 GVQKF C27H43N7O7 577.3224 NA PeJP NA NA +MJ082548 Dictyocarpinine; 14-O-(R)-2-Methylbutanoyl, 6-Ac C31H47NO9 577.325082 NA MeJP NA NA +MJ082549 Piericidin; Piericidin A1, 10'-O-?-D-Glucopyranoside C31H47NO9 577.325082 NA MeJP NA NA +MJ082550 Piericidin; Piericidin A1, 4-O-D-Glucopyranoside C31H47NO9 577.325082 NA MeJP NA NA +PJ006444 ATKKM C24H47N7O7S 577.3258 NA PeJP NA NA +PJ006445 LLFW C32H43N5O5 577.3264 NA PeJP NA NA +MJ082551 Dihydroergocryptine C32H43N5O5 577.326419 NA MeJP NA NA +PJ006446 QKFR C26H43N9O6 577.3337 NA PeJP NA NA +EUR728 Lyso PC 18:3 [M-H+acetate]- C26H48NO7P 577.337942 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR728 Lyso PC 18:3 [M-H+acetate]- C26H48NO7P 577.337942 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR728 Lyso PC 18:3 [M-H+acetate]- C26H48NO7P 577.337942 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR728 Lyso PC 18:3 [M-H+acetate]- C26H48NO7P 577.337942 masses lipides attendues Inhousejuil11 NA NA +PJ006447 TTTKK C24H47N7O9 577.3435 NA PeJP NA NA +MJ082552 Destruxin A; Destruxin A C29H47N5O7 577.347548 NA MeJP NA NA +PJ006448 GLLLY C29H47N5O7 577.3476 NA PeJP NA NA +PJ006449 GVKKF C28H47N7O6 577.3588 NA PeJP NA NA +MJ082553 Coumingaine C32H51NO8 577.361467 NA MeJP NA NA +MJ082554 Zygadenine; O3-(R)-2-Methylbutanoyl C32H51NO8 577.361467 NA MeJP NA NA +PJ006450 KKFR C27H47N9O5 577.37 NA PeJP NA NA +MJ082555 16,28-Secosolanid-22(28)-ene-3,6-diol, O3-?-D-Glucopyranoside C33H55NO7 577.397853 NA MeJP NA NA +MJ082556 16,28-Secosolanid-5-ene-3,16-diol, 3-O-?-D-Glucopyranoside C33H55NO7 577.397853 NA MeJP NA NA +MJ082557 16,28-Secosolanid-5-ene-3,16-diol, 3-O-?-D-Galactopyranoside C33H55NO7 577.397853 NA MeJP NA NA +MJ082558 3,6-Cevanediol, 3-O-?-D-Glucopyranoside C33H55NO7 577.397853 NA MeJP NA NA +MJ082559 Spirosolan-3-ol, O-?-D-Glucopyranoside C33H55NO7 577.397853 NA MeJP NA NA +MJ082560 Vertaline B; 16-Deoxy, 3-O-?-D-glucopyranoside C33H55NO7 577.397853 NA MeJP NA NA +EUR774 Lyso PC 22:1 monoisotopic mass C30H60NO7P 577.410742 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR774 Lyso PC 22:1 monoisotopic mass C30H60NO7P 577.410742 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR774 Lyso PC 22:1 monoisotopic mass C30H60NO7P 577.410742 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR774 Lyso PC 22:1 monoisotopic mass C30H60NO7P 577.410742 masses lipides attendues Inhousejuil11 NA NA +HMDB10399 LysoPC(22:1(13Z)) C30H60NO7P 577.410767 NA HMDB2010 NA NA +MJ082561 35-Amino-30,31,32,33,34-bacteriohopanepentol C35H63NO5 577.470624 NA MeJP NA NA +MJ082562 2-Amino-4,8-octadecadiene-1,3-diol, N-Nonadecanoyl C37H71NO3 577.543395 NA MeJP NA NA +MJ082563 3,3',5,5'-Tetrabromo[1,1'-biphenyl]-2,2'-diol; Dihydrogen phosphate C12H7Br4O5P 577.67646 NA MeJP NA NA +3252 beta-casokinin-10 YQQPVLGPVR 577.8125 MH2+ Inhouse_peptide NA peptide +3369 b-casokinin-10 (193-202) YQQPVLGPVR 577.8125 MH2+ Inhouse_peptide NA peptide +MJ082564 Purealidin D C22H25Br2N6O3(+) 578.027663 NA MeJP NA NA +C03034 dTDP-D-galacturonate C16H24N2O17P2 578.055 NA KEGG NA NA +C06017 dTDP-D-glucuronate C16H24N2O17P2 578.055 NA KEGG NA NA +MJ082565 dTDP-D-galacturonate C16H24N2O17P2 578.05502 NA MeJP NA NA +MetaCyc03891 dTDP-D-galacturonate [] C16H24N2O17P2 578.05502 NA metacyc NA NA +MJ082566 Vinaxanthone; 2',3'-Dihydro C28H18O14 578.069655 NA MeJP NA NA +MJ082567 Xanthofulvin C28H18O14 578.069655 NA MeJP NA NA +MJ082568 2',4',5,5',7-Pentahydroxyisoflavanone, 4',5'-Methylene, 2'-Me ether, 7-O-(6-O-malonyl-?-D-glucopyranoside) C26H26O15 578.12717 NA MeJP NA NA +MJ082569 4',5,7-Trihydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1??)-?-D-glucuronopyranoside] C26H26O15 578.12717 NA MeJP NA NA +MetaCyc03892 cicerin-7-O-glucoside-6''-malonate [] C26H26O15 578.12717 NA metacyc NA NA +JH243 Oleuropein [M+K]+ NA 578.1359 14.15 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH243 Oleuropein [M+K]+ NA 578.1359 14.15 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH243 Oleuropein [M+K]+ NA 578.1359 14.15 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH243 Oleuropein [M+K]+ NA 578.1359 14.15 Inhousejuil11 NA NA +PJ006451 CCCNH C19H30N8O7S3 578.14 NA PeJP NA NA +C10221 Epicatechin-(4beta->8)-ent-epicatechin C30H26O12 578.1424 NA KEGG NA NA +C10238 Procyanidin B4 C30H26O12 578.1424 NA KEGG NA NA +C17639 Procyanidin B2 C30H26O12 578.1424 NA KEGG NA NA +C17640 Procyanidin B5 C30H26O12 578.1424 NA KEGG NA NA +FL3FAACS0034 Vitexin 2''-O-p-coumarate C30H26O12 578.14242 59282-55-2 knapsack NA NA +FL3FAAGN0001 Apigenin 7-glucoside-4'-p-coumarate C30H26O12 578.14242 61237-20-5 knapsack NA NA +FL3FAAGS0034 Apigenin 7-(4''-Z-p-coumarylglucoside) C30H26O12 578.14242 - knapsack NA NA +FL3FAAGS0035 Apigenin 7-(4''-E-p-coumarylglucoside) C30H26O12 578.14242 105815-91-6 knapsack NA NA +FL3FAAGS0036 Apigenin 7-(6''-p-coumarylglucoside) C30H26O12 578.14242 105815-90-5 knapsack NA NA +FL3FAAGS0064 Apigenin 7-(2''-E-p-coumaroylglucoside;Echitin (glycoside);(E)-5-Hydroxy-2-(4-hydroxyphenyl)-7-[[2-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C30H26O12 578.14242 177535-49-8 knapsack NA NA +FL3FAAGS0065 Apigenin 7-(3''-p-coumaroylglucoside) C30H26O12 578.14242 - knapsack NA NA +FL3FAAGS0066 Apigenin 7-(6''-E-p-coumaroylgalactoside);5-Hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]oxy]-4H-1-benzopyran-4-one C30H26O12 578.14242 480453-57-4 knapsack NA NA +FL3FACGS0061 Luteolin 7-(6''-E-cinnamylglucoside) C30H26O12 578.14242 111150-40-4 knapsack NA NA +FL5FAAGL0066 Kaempferol 3-(6''-(Z)-cinnamylglucoside) C30H26O12 578.14242 134779-23-0 knapsack NA NA +FL5FAAGS0050 Kaempferol 3-(2-(E)-p-coumarylrhamnoside);3-[[6-Deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C30H26O12 578.14242 151455-10-6 knapsack NA NA +FL5FAAGS0051 Kaempferol 3-(4''-p-coumarylrhamnoside) C30H26O12 578.14242 166321-98-8 knapsack NA NA +FL5FAAGS0103 Kaempferol 3-(2''-(Z)-p-coumaroylrhamnoside); (Z)-3-[[6-Deoxy-2-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C30H26O12 578.14242 151455-11-7 knapsack NA NA +FLIAAAGS0011 Genistein 7-O-(2''-p-coumaroylglucoside) C30H26O12 578.14242 106915-84-8 knapsack NA NA +MJ082570 3',4',5,7-Tetrahydroxyflavone; 7-O-[E-Cinnamoyl-(?6)-?-D-glucopyranoside] C30H26O12 578.142426 NA MeJP NA NA +MJ082571 3,3',4',5',7-Pentahydroxyflavan(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 5'''-Deoxy C30H26O12 578.142426 NA MeJP NA NA +MJ082572 3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan C30H26O12 578.142426 NA MeJP NA NA +MJ082573 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan C30H26O12 578.142426 NA MeJP NA NA +MJ082574 3,3',4',5,7-Pentahydroxyflavan(6'?8)-3,3',4',5,7-pentahydroxyflavan C30H26O12 578.142426 NA MeJP NA NA +MJ082575 3,3',4',7,8-Pentahydroxyflavan(4?6)-3,3',4,4',7,8-hexahydroxyflavan, 4'-Deoxy C30H26O12 578.142426 NA MeJP NA NA +MJ082576 3,3',4',7,8-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan C30H26O12 578.142426 NA MeJP NA NA +MJ082577 3,3',4',7,8-Pentahydroxyflavan(4?O?4)-3,4',7,8-tetrahydroxyflavan C30H26O12 578.142426 NA MeJP NA NA +MJ082578 3,3',4',7,8-Pentahydroxyflavan(5?6')-3,3',4',7,8-pentahydroxyflavan C30H26O12 578.142426 NA MeJP NA NA +MJ082579 3,3',4',7,8-Pentahydroxyflavan(5?8)-3,3',4',5,7-pentahydroxyflavan C30H26O12 578.142426 NA MeJP NA NA +MJ082580 3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 5''-Hydroxy C30H26O12 578.142426 NA MeJP NA NA +MJ082581 4',5,7-Trihydroxyisoflavone; 7-O-[4-Hydroxycinnamoyl-(?2)-?-D-glucopyranoside] C30H26O12 578.142426 NA MeJP NA NA +MJ082582 Afzelin; 2''-O-(4-Hydroxycinnamoyl) C30H26O12 578.142426 NA MeJP NA NA +MJ082583 Afzelin; 4''-O-(4-Hydroxycinnamoyl) C30H26O12 578.142426 NA MeJP NA NA +MJ082584 Astragalin; 6''-O-(Z-Cinnamoyl) C30H26O12 578.142426 NA MeJP NA NA +MJ082585 Cosmosiin; 2''-O-(4-Hydroxy-E-cinnamoyl) C30H26O12 578.142426 NA MeJP NA NA +MJ082586 Cosmosiin; 3''-O-(4-Hydroxycinnamoyl) C30H26O12 578.142426 NA MeJP NA NA +MJ082587 Cosmosiin; 4''-O-(4-Hydroxy-E-cinnamoyl) C30H26O12 578.142426 NA MeJP NA NA +MJ082588 Cosmosiin; 4''-O-(4-Hydroxy-Z-cinnamoyl) C30H26O12 578.142426 NA MeJP NA NA +MJ082589 Cosmosiin; 4'-O-(4-Hydroxycinnamoyl) C30H26O12 578.142426 NA MeJP NA NA +MJ082590 Cosmosiin; 6''-O-(4-Hydroxycinnamoyl) C30H26O12 578.142426 NA MeJP NA NA +MJ082591 Flavomannin, 5?,5'?-Dihydroxy C30H26O12 578.142426 NA MeJP NA NA +MJ082592 Vitexin; 2''-O-(4-Hydroxycinnamoyl) C30H26O12 578.142426 NA MeJP NA NA +MJ082593 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(Cinnamoyl-?-D-glucopyranoside) C30H27O12(+) 578.142426 NA MeJP NA NA +MetaCyc03893 2,3-trans-proanthocyanidin [] C30H26O12 578.142426 NA metacyc NA NA +MetaCyc03894 2,3-cis-proanthocyanidin [proanthocyanidin;] C30H26O12 578.142426 NA metacyc NA NA +MJ082594 Beccapoline; 8-Demethoxy C36H22N2O6 578.147786 NA MeJP NA NA +MJ082595 Tantazole B C25H34N6O2S4 578.162607 NA MeJP NA NA +FL1AAAGS0002 6,4'-Dihydroxyaurone 4-O-rutinoside C27H30O14 578.16355 828940-16-5 knapsack NA NA +FL1AAAGS0004 6,4'-Dihydroxyaurone-4-O-neohesperidoside C27H30O14 578.16355 571194-67-7 knapsack NA NA +FL3F1CGS0003 7,3',4'-Trihydroxyflavone 7-rutinoside C27H30O14 578.16355 27576-42-7 knapsack NA NA +FL3F2CGS0001 7,3',4'-Trihydroxy-6-methoxyflavone 7-rhamnoside-3'-xyloside C27H30O14 578.16355 147526-77-0 knapsack NA NA +FL3FA9GS0006 Chrysin 7-gentiobioside C27H30O14 578.16355 88640-89-5 knapsack NA NA +FL3FAACS0020 Vitexin 2''-O-rhamnoside C27H30O14 578.16355 64820-99-1 knapsack NA NA +FL3FAACS0021 Abietin;Vitexin 6''-O-rhamnoside C27H30O14 578.16355 54302-43-1 knapsack NA NA +FL3FAACS0023 Isovitexin 2''-O-rhamnoside C27H30O14 578.16355 72036-50-1 knapsack NA NA +FL3FAACS0026 Violanthin C27H30O14 578.16355 40581-17-7 knapsack NA NA +FL3FAACS0031 Isoviolanthin C27H30O14 578.16355 40788-84-9 knapsack NA NA +FL3FAACS0057 Vitexin 4''-O-rhamnoside C27H30O14 578.16355 13263-81-5 knapsack NA NA +FL3FAACS0070 Violarvensin;6-C-beta-D-Glucopyranosyl-8-C-beta-D-6-deoxygulopyranosylapigenin C27H30O14 578.16355 201546-08-9 knapsack NA NA +FL3FAACS0073 Isovitexin 6''-O-rhamnoside;Dulcinoside;6-[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C27H30O14 578.16355 869669-58-9 knapsack NA NA +FL3FAADS0006 Isovitexin 7-O-rhamnoside C27H30O14 578.16355 90706-62-0 knapsack NA NA +FL3FAADS0008 Isofurcatain 7-O-glucoside C27H30O14 578.16355 83463-97-2 knapsack NA NA +FL3FAADS0038 Isovitexin 4'-O-rhamnopyranoside;Isovitexin 4'-rhamnoside C27H30O14 578.16355 63848-10-2 knapsack NA NA +FL3FAAGS0020 Apigenin 7-rutinoside C27H30O14 578.16355 552-57-8 knapsack NA NA +FL3FAAGS0021 Apigenin 7-neohesperidoside C27H30O14 578.16355 17306-46-6 knapsack NA NA +FL3FABCS0009 Isocytisoside 3''-O-beta-D-xylopyranoside C27H30O14 578.16355 - knapsack NA NA +FL3FABCS0010 Isocytisoside 6''-O-beta-D-apiofuranoside C27H30O14 578.16355 360562-71-6 knapsack NA NA +FL3FABGS0017 Acacetin 7-glucosyl-(1->4)-xyloside;Apigenin 4'-methyl ether 7-glucosyl-(1->4)-xyloside;7-[(4-O-beta-D-Glucopyranosyl-alpha-D-xylopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C27H30O14 578.16355 201738-97-8 knapsack NA NA +FL3FABGS0018 Acacetin 7-apiosyl (1->6)-glucopyranoside;Apigenin 4'-methyl ether 7-apiosyl (1->6)-glucopyranoside;5-Hydroxy-2-(4-methoxyphenyl)-7-[(6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one C27H30O14 578.16355 239106-94-6 knapsack NA NA +FL3FACCS0039 6,8-Di-C-rhamnopyranosylluteolin C27H30O14 578.16355 145204-84-8 knapsack NA NA +FL3FACCS0052 2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-luteolin C27H30O14 578.16355 - knapsack NA NA +FL3FACCS0053 2''-O-alpha-L-Rhamnosyl-6-C-quinovopyranosyl-luteolin C27H30O14 578.16355 - knapsack NA NA +FL3FACDS0021 8-C-Rhamnopyranosylluteolin 7-O-rhamnoside C27H30O14 578.16355 - knapsack NA NA +FL3FCACS0009 Swertisin 2''-O-arabinoside C27H30O14 578.16355 117715-06-7 knapsack NA NA +FL3FCACS0010 Isoswertisin 2''-O-xyloside C27H30O14 578.16355 89613-14-9 knapsack NA NA +FL3FCACS0011 6-C-Glucopyranosyl-8-C-arabinopyranosylgenkwanin C27H30O14 578.16355 101843-08-7 knapsack NA NA +FL3FCACS0012 Isomolludistin 2''-O-glucoside C27H30O14 578.16355 70521-83-4 knapsack NA NA +FL3FCACS0013 Molludistin 2''-O-glucoside C27H30O14 578.16355 70521-82-3 knapsack NA NA +FL3FCACS0015 Swertisin 2''-O-xyloside C27H30O14 578.16355 155474-80-9 knapsack NA NA +FL3FCACS0029 Precatorin III;6-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C27H30O14 578.16355 211568-81-9 knapsack NA NA +FL3FCACS0030 Isoswertisin 2''-O-beta-arabinoside C27H30O14 578.16355 157530-33-1 knapsack NA NA +FL3FCAGS0005 Genkwanin 4'-alpha-L-arabinopyranosyl-(1->6)-galactoside;Apigenin 7-methyl ether 4'-alpha-L-arabinopyranosyl-(1->6)-galactoside;2-[4-[(6-O-alpha-L-Arabinopyranosyl-beta-D-galactopyranosyl)oxy]phenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C27H30O14 578.16355 426821-22-9 knapsack NA NA +FL3FEAGS0013 Scutellarein 7,4'-dirhamnoside C27H30O14 578.16355 35128-73-5 knapsack NA NA +FL3FEAGS0042 Scutellarein 7-methyl ether 6-rhamnosyl-(1->4)-xyloside C27H30O14 578.16355 - knapsack NA NA +FL5FA9GL0002 Galanginoside C27H30O14 578.16355 16268-50-1 knapsack NA NA +FL5FA9GS0003 Galangin 3-galactosyl-(1->4)-rhamnoside C27H30O14 578.16355 73030-72-5 knapsack NA NA +FL5FAAGS0029 Kaempferitrin;Kaempferol 3,7-dirhamnoside;Lespedin C27H30O14 578.16355 482-38-2 knapsack NA NA +FL5FAAGS0038 Kaempferol 7,4'-dirhamnoside C27H30O14 578.16355 99816-51-0 knapsack NA NA +FL5FAAGS0072 Kaempferol 3-rhamnoside-(1->2)-rhamnoside;3-[[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-1-benzopyran-4-one C27H30O14 578.16355 221455-13-6 knapsack NA NA +FL5FABGS0005 Kaempferide 3-rhamnoside-7-xyloside C27H30O14 578.16355 158753-18-5 knapsack NA NA +FL5FECGS0058 Patuletin 7-[6''-(2-methylbutyryl)-glucoside];Quercetagetin 6-methyl ether 7-[6''-(2-methylbutyryl)-glucoside];2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[[6-O-(2-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C27H30O14 578.16355 254886-93-6 knapsack NA NA +FLIA1ADS0001 Puerarin 4'-O-glucoside C27H30O14 578.16355 117047-08-2 knapsack NA NA +FLIA1AGS0005 Daidzein 7,4'-di-O-glucoside C27H30O14 578.16355 53681-67-7 knapsack NA NA +FLIAAAGS0005 Genistein 7-O-rutinoside;Sphaerobioside C27H30O14 578.16355 14988-20-6 knapsack NA NA +FLIAAAGS0006 Genistein 4'-O-neohesperidoside;Sophorabioside C27H30O14 578.16355 2945-88-2 knapsack NA NA +FLIAABGS0004 Biochanin A 7-O-xylosyl-(1->6)-glucoside;Kakkanin C27H30O14 578.16355 63770-91-2 knapsack NA NA +FLIAABGS0005 Biochanin A 7-O-apiosyl-(1->6)-glucoside;Lanceolarin C27H30O14 578.16355 15914-68-8 knapsack NA NA +MJ082596 1,2,3-Trihydroxyanthraquinone; 1-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082597 1,2,5-Trihydroxy-6-methylanthraquinone; 1-Me ether, 2-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082598 1,2,5-Trihydroxy-6-methylanthraquinone; 2-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082599 1,3,6-Trihydroxy-2-methylanthraquinone; 3-O-?-Rhamnosyl-(1?2)-?-glucoside C27H30O14 578.163555 NA MeJP NA NA +MJ082600 1,3,8-Trihydroxy-2-methylanthraquinone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082601 1,3,8-Trihydroxy-2-methylanthraquinone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082602 1,3,8-Trihydroxy-6-methylanthraquinone; 1-O-?-D-Glucopyranoside, 3-O-?-L-rhamnopyranoside C27H30O14 578.163555 NA MeJP NA NA +MJ082603 1,3,8-Trihydroxy-6-methylanthraquinone; 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082604 1,3,8-Trihydroxy-6-methylanthraquinone; 8-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082605 1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1-Me ether, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082606 1,8-Dihydroxy-3-methylanthraquinone; 8-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082607 3',4',5',7-Tetrahydroxyisoflavone; Di-O-?-L-rhamnopyranoside(?) C27H30O14 578.163555 NA MeJP NA NA +MJ082608 3',4',5,7-Tetrahydroxy-6,8-di-?-L-rhamnopyranosylflavone C27H30O14 578.163555 NA MeJP NA NA +MJ082609 3',4',5,7-Tetrahydroxy-8-rhamnosylflavone; ?-L-Pyranose-form, 7-O-?-L-Rhamnopyranoside C27H30O14 578.163555 NA MeJP NA NA +MJ082610 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-L-rhamnopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082611 3',4',6,7-Tetrahydroxyflavone; 6-Me ether, 3'-O-?-D-xylopyranoside, 7-O-?-L-rhamnopyranoside C27H30O14 578.163555 NA MeJP NA NA +MJ082612 3',4',7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082613 3',4',7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082614 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 7-O-[2-Methylbutanoyl-(?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082615 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 7-O-[3-Methylbutanoyl-(?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082616 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082617 3,4',5,7-Tetrahydroxyflavone; Di-O-?-L-rhamnopyranoside C27H30O14 578.163555 NA MeJP NA NA +MJ082618 3,4',7-Trihydroxyflavone; 7-O-Rutinoside C27H30O14 578.163555 NA MeJP NA NA +MJ082619 3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-?-D-xylopyranoside C27H30O14 578.163555 NA MeJP NA NA +MJ082620 3,5,7-Trihydroxyflavone; 3-O-[?-D-Galactopyranosyl-(1?4)-?-L-rhamnopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082621 3,5,7-Trihydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082622 4',5,6,7-Tetrahydroxyflavone; 4',7-Di-O-?-L-rhamnofuranoside C27H30O14 578.163555 NA MeJP NA NA +MJ082623 4',5,7-Trihydroxyflavone; 5-Me ether, 7-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082624 4',5,7-Trihydroxyflavone; 5-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082625 4',5,7-Trihydroxyflavone; 5-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082626 4',5,7-Trihydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-L-rhamnopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082627 4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082628 4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082629 4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082630 4',5,7-Trihydroxyisoflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082631 4',5,7-Trihydroxyisoflavone; 5-Me ether, 7-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082632 4',5,7-Trihydroxyisoflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082633 4',5-Dihydroxy-7-methoxyflavone; 4'-O-[?-D-Glucopyranosyl-(1?3)-?-D-xylopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082634 4',5-Dihydroxy-7-methoxyflavone; 5-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082635 4',5-Dihydroxy-7-methoxyflavone; 5-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082636 4',5-Dihydroxy-7-methoxyisoflavone; 4'-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082637 4',6,7-Trihydroxyisoflavone; 6-Me ether, 7-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082638 4',7-Dihydroxy-5-methoxyisoflavone; 7-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082639 4',7-Dihydroxyisoflavone; 4',7-Di-O-?-D-glucopyranoside C27H30O14 578.163555 NA MeJP NA NA +MJ082640 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082641 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082642 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082643 5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082644 5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-[D-Apio-?-D-furanosyl-(1?6)-?-D-glucopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082645 5,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one; 7-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside] C27H30O14 578.163555 NA MeJP NA NA +MJ082646 5,7-Dihydroxyflavone; 7-O-Gentiobioside C27H30O14 578.163555 NA MeJP NA NA +MJ082647 6-O-?-D-Apiofuranosyl-D-glucose; ?-Pyranose-form, 1-O-Benzoyl, 5'-O-(3,4-dihydroxycinnamoyl)(E-) C27H30O14 578.163555 NA MeJP NA NA +MJ082648 Afzelin; 3''-O-?-L-Rhamnopyranosyl C27H30O14 578.163555 NA MeJP NA NA +MJ082649 Afzelin; 7-O-?-L-Rhamnopyranoside C27H30O14 578.163555 NA MeJP NA NA +MJ082650 Cosmosiin; 6''-O-?-L-Rhamnopyranosyl C27H30O14 578.163555 NA MeJP NA NA +MJ082651 Isocytisoside; 3''-O-?-D-Apiofuranosyl C27H30O14 578.163555 NA MeJP NA NA +MJ082652 Isocytisoside; 6''-O-?-D-Xylopyranosyl C27H30O14 578.163555 NA MeJP NA NA +MJ082653 Isofurcatain; 7-O-?-D-Glucopyranoside C27H30O14 578.163555 NA MeJP NA NA +MJ082654 Isomollupentin; 7-Me ether, 2''-O-?-D-glucopyranoside C27H30O14 578.163555 NA MeJP NA NA +MJ082655 Isoviolanthin C27H30O14 578.163555 NA MeJP NA NA +MJ082656 Isovitexin; 2''-O-?-D-Apiofuranosyl, 7-Me ether C27H30O14 578.163555 NA MeJP NA NA +MJ082657 Isovitexin; 2''-O-?-L-Rhamnopyranosyl C27H30O14 578.163555 NA MeJP NA NA +MJ082658 Isovitexin; 7-O-?-L-Rhamnopyranoside C27H30O14 578.163555 NA MeJP NA NA +MJ082659 Isovitexin; O-?-L-Rhamnopyranoside C27H30O14 578.163555 NA MeJP NA NA +MJ082660 Maysin; 4''?-Alcohol C27H30O14 578.163555 NA MeJP NA NA +MJ082661 Maysin; 4''?-Alcohol C27H30O14 578.163555 NA MeJP NA NA +MJ082662 Mollupentin; 7-Me ether, 2''-O-?-D-glucopyranoside C27H30O14 578.163555 NA MeJP NA NA +MJ082663 Nivyaside C27H30O14 578.163555 NA MeJP NA NA +MJ082664 Puerarin; 4'-O-?-D-Glucopyranoside C27H30O14 578.163555 NA MeJP NA NA +MJ082665 Swertisin; 2''-O-?-D-Xylopyranosyl C27H30O14 578.163555 NA MeJP NA NA +MJ082666 Swertisin; 2''-O-Arabinosyl C27H30O14 578.163555 NA MeJP NA NA +MJ082667 Violanthin C27H30O14 578.163555 NA MeJP NA NA +MJ082668 Vitexin; 2''-O-?-L-Rhamnopyranosyl C27H30O14 578.163555 NA MeJP NA NA +MJ082669 Vitexin; 4'-O-?-L-Rhamnopyranoside C27H30O14 578.163555 NA MeJP NA NA +MJ082670 Vitexin; 6''-O-?-L-Rhamnopyranosyl C27H30O14 578.163555 NA MeJP NA NA +MJ082671 Vitexin; 7-Me ether, 2''-O-?-arabinopyranosyl C27H30O14 578.163555 NA MeJP NA NA +MJ082672 Vitexin; 7-Me ether, 2''-O-D-xylosyl C27H30O14 578.163555 NA MeJP NA NA +MJ082673 Vitexin; O-?-L-Rhamnopyranoside C27H30O14 578.163555 NA MeJP NA NA +MJ082674 ?-Rhamnoisorobin; 4'-O-?-L-Rhamnopyranoside C27H30O14 578.163555 NA MeJP NA NA +MJ082675 3',4',5,7-Tetrahydroxyflavylium(1+); 5-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H31O14(+) 578.163555 NA MeJP NA NA +MJ082676 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H31O14(+) 578.163555 NA MeJP NA NA +MJ082677 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-galactopyranoside] C27H31O14(+) 578.163555 NA MeJP NA NA +MJ082678 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H31O14(+) 578.163555 NA MeJP NA NA +MJ082679 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C27H31O14(+) 578.163555 NA MeJP NA NA +MJ082680 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-?-L-Rhamnopyranoside, 5-O-?-D-glucopyranoside C27H31O14(+) 578.163555 NA MeJP NA NA +MJ082681 4',5,7-Trihydroxyflavylium(1+); 5,7-Di-O-?-D-glucopyranoside C27H31O14(+) 578.163555 NA MeJP NA NA +MJ082682 4',5,7-Trihydroxyflavylium(1+); 5-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C27H31O14(+) 578.163555 NA MeJP NA NA +MJ082683 4',5,7-Trihydroxyflavylium(1+); 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C27H31O14(+) 578.163555 NA MeJP NA NA +MetaCyc03895 vitexin 2-O-β-L-rhamnoside''$$$''$$$'' [] C27H30O14 578.163556 NA metacyc NA NA +MetaCyc03896 kaempferol-3-rhamnoside-7-rhamnoside [kaempferol-3-O-rhamnopyranoside-7-O-rhamnopyranoside;] C27H30O14 578.163556 NA metacyc NA NA +HMDB05799 Scolymoside C27H30O14 578.16357 http://www.hmdb.ca/metabolites/HMDB05799 HMDB NA NA +HMDB05799 Scolymoside C27H30O14 578.16357 HMDB05799 PFEM_hmdb_metabocards_official NA NA +HMDB05799 Scolymoside C27H30O14 578.163574 NA HMDB2010 NA NA +C10196 Violanthin C27H30O14 578.1636 NA KEGG NA NA +C12627 Apigenin 7-O-neohesperidoside C27H30O14 578.1636 NA KEGG NA NA +C12628 Vitexin 2''-O-beta-L-rhamnoside C27H30O14 578.1636 NA KEGG NA NA +C16802 Glucofrangulin A C27H30O14 578.1636 NA KEGG NA NA +C16981 Kaempferitrin C27H30O14 578.1636 NA KEGG NA NA +PJ006452 GPPCCC C21H34N6O7S3 578.1651 NA PeJP NA NA +MJ082684 7(18),11(19)-Havannadichlorohydrin C26H36Cl2O10 578.168552 NA MeJP NA NA +PJ006453 CNNND C19H30N8O11S 578.1755 NA PeJP NA NA +MJ082685 Deacylkadsulignan C; 7'-Benzoyl, 7-Ac C31H30O11 578.178811 NA MeJP NA NA +MJ082686 Haedoxan B C31H30O11 578.178811 NA MeJP NA NA +PJ006454 SNDDE C20H30N6O14 578.182 NA PeJP NA NA +PJ006455 PCNDM C21H34N6O9S2 578.1829 NA PeJP NA NA +MJ082687 Arborescosidic acid; 10-Ac, ?-D-glucopyranosyl ester C24H34O16 578.184685 NA MeJP NA NA +MJ082688 D-erythro-D-galacto-Octitol; Octa-Ac C24H34O16 578.184685 NA MeJP NA NA +PJ006456 CMYY C26H34N4O7S2 578.1869 NA PeJP NA NA +MJ082689 Renieramycin H C30H30N2O10 578.190045 NA MeJP NA NA +PJ006457 GSDDW C24H30N6O11 578.1973 NA PeJP NA NA +PJ006458 APCCW C25H34N6O6S2 578.1982 NA PeJP NA NA +C10876 Podorhizol beta-D-glucoside C28H34O13 578.1999 NA KEGG NA NA +MJ082690 2',5,6',7,8-Pentahydroxyflavanone, 6',7,8-Tri-Me ether, 2'-O-?-D-glucuronopyranoside, butyl ester C28H34O13 578.199941 NA MeJP NA NA +MJ082691 2-(4-Hydroxyphenyl)ethanol; 1-O-[4-Hydroxycinnamoyl-(?5)-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C28H34O13 578.199941 NA MeJP NA NA +MJ082692 8-Hydroxypinoresinol; 8-Ac, 4-O-?-D-glucopyranoside C28H34O13 578.199941 NA MeJP NA NA +MJ082693 Alloimperatorin; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H34O13 578.199941 NA MeJP NA NA +MJ082694 Deoxypodophyllic acid; ?-D-Glucopyranosyl ester C28H34O13 578.199941 NA MeJP NA NA +MJ082695 Podorhizol, 7-O-?-D-Glucopyranoside C28H34O13 578.199941 NA MeJP NA NA +PJ006459 GNEEM C21H34N6O11S 578.2007 NA PeJP NA NA +MJ082696 Saframycin A; 14-Oxo, ring E hydroquinone C29H30N4O9 578.201278 NA MeJP NA NA +MJ082697 Saframycin A; 14?-Hydroxy C29H30N4O9 578.201278 NA MeJP NA NA +MJ082698 Kohatine; 1',2'-Didehydro, 2?-N-oxide C34H30N2O7 578.205301 NA MeJP NA NA +PJ006460 GCDER C20H34N8O10S 578.2119 NA PeJP NA NA +MJ082699 Antibiotic ES 242-4 C32H34O10 578.215197 NA MeJP NA NA +MJ082700 Cardinalin 1; 4'a,10'a-Didehydro C32H34O10 578.215197 NA MeJP NA NA +PJ006461 NEMW C25H34N6O8S 578.2159 NA PeJP NA NA +PJ006462 SSQEE C21H34N6O13 578.2184 NA PeJP NA NA +PJ006463 SPNMM C22H38N6O8S2 578.2193 NA PeJP NA NA +PJ006464 GNDHH C22H30N10O9 578.2198 NA PeJP NA NA +PJ006465 CFFY C30H34N4O6S 578.2199 NA PeJP NA NA +MJ082701 2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C25H38O15 578.22107 NA MeJP NA NA +MJ082702 2-Phenylethanol; O-[?-D-Glucopyranosyl-(1?2)-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C25H38O15 578.22107 NA MeJP NA NA +PJ006466 CDRW C24H34N8O7S 578.2271 NA PeJP NA NA +2751 activating kinases and phosphatases peptide EPFYENDPF 578.2284 MH2+ Inhouse_peptide NA peptide +PJ006467 SSDDR C20H34N8O12 578.2296 NA PeJP NA NA +PJ006468 GGGGGSST C20H34N8O12 578.2297 NA PeJP NA NA +PJ006469 PTCCR C21H38N8O7S2 578.2305 NA PeJP NA NA +PJ006470 GMWW C29H34N6O5S 578.2312 NA PeJP NA NA +MJ082703 Triamcinolone; 16,17-Acetone ketal, 21-O-(2-benzofuran-2-carboxylate) C33H35FO8 578.231596 NA MeJP NA NA +PJ006471 GSTEW C25H34N6O10 578.2337 NA PeJP NA NA +MJ082704 1,2,3,6,8,14-Hexahydroxytricyclo[4.2.110,30.11,4]meliac-7-oic acid, Me ester, 1-Ac C29H38O12 578.236326 NA MeJP NA NA +MJ082705 15,16-Epoxy-6,18-dihydroxy-19-nor-4,13(16),14-clerodatrien-20,12-olide, 6-O-(2-Acetyl-?-D-glucopyranoside), 18-Ac C29H38O12 578.236326 NA MeJP NA NA +MJ082706 8,17-Epoxy-2,4,9,11,12-pentahydroxy-5,13-briaradien-18,7-olide, 4-Propanoyl, 2,9,12-tri-Ac C29H38O12 578.236326 NA MeJP NA NA +MJ082707 8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-propanoyl, 4,9,14-tri-Ac C29H38O12 578.236326 NA MeJP NA NA +MJ082708 Hydrangenoside E; 13-Ketone C29H38O12 578.236326 NA MeJP NA NA +MJ082709 Hydrangenoside G C29H38O12 578.236326 NA MeJP NA NA +PJ006472 GDKEM C22H38N6O10S 578.237 NA PeJP NA NA +PJ006473 AYYY C30H34N4O8 578.2377 NA PeJP NA NA +MJ082710 Apateline; Me ether, 5'-hydroxy C35H34N2O6 578.241686 NA MeJP NA NA +MJ082711 Cepharanthine; O12,N2-Di-de-Me C35H34N2O6 578.241686 NA MeJP NA NA +MJ082712 Cocsoline, Me ether, N2'-oxide (?-) C35H34N2O6 578.241686 NA MeJP NA NA +MJ082713 Cocsoline, N-Me, N2-oxide C35H34N2O6 578.241686 NA MeJP NA NA +MJ082714 Cocsulinine C35H34N2O6 578.241686 NA MeJP NA NA +MJ082715 Gilletine C35H34N2O6 578.241686 NA MeJP NA NA +MJ082716 Kohatine; O12'-Me C35H34N2O6 578.241686 NA MeJP NA NA +MJ082717 Pachygonamine; N2-Me C35H34N2O6 578.241686 NA MeJP NA NA +MJ082718 Pendine C35H34N2O6 578.241686 NA MeJP NA NA +MJ082719 Pendulinine C35H34N2O6 578.241686 NA MeJP NA NA +MJ082720 Yanangine; N2'-De-Me C35H34N2O6 578.241686 NA MeJP NA NA +PJ006474 GNNQF C24H34N8O9 578.2449 NA PeJP NA NA +MJ082721 Elymoclavine; O-[?-D-Fructofuranosyl-(2?1)-?-D-fructofuranoside] C28H38N2O11 578.24756 NA MeJP NA NA +PJ006475 GSEMR C21H38N8O9S 578.2483 NA PeJP NA NA +PJ006476 STWW C29H34N6O7 578.2489 NA PeJP NA NA +MJ082722 1,2,6,9-Tetrahydroxydihydro-?-agarofuran, 6,9-Dibenzoyl, 1,2-di-Ac C33H38O9 578.251582 NA MeJP NA NA +MJ082723 1,4,6,9,14-Pentahydroxydihydro-?-agarofuran, 14-Cinnamoyl, 9-benzoyl, 1-Ac C33H38O9 578.251582 NA MeJP NA NA +MJ082724 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 6,8-di-Ac C33H38O9 578.251582 NA MeJP NA NA +MJ082725 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 1,6-di-Ac C33H38O9 578.251582 NA MeJP NA NA +MJ082726 Gaudichaudione A; ?18,22Z-Isomer, 16-hydroxy, 24-carboxylic acid C33H38O9 578.251582 NA MeJP NA NA +MJ082727 Gaudichaudione D; 22Z-Isomer, 24-carboxylic acid C33H38O9 578.251582 NA MeJP NA NA +MJ082728 Lateriflorone C33H38O9 578.251582 NA MeJP NA NA +MJ082729 Shizukaol B; 4-Deoxy, 13,15-dideacyl, 15-Ac C33H38O9 578.251582 NA MeJP NA NA +PJ006477 DKMW C26H38N6O7S 578.2523 NA PeJP NA NA +C18063 C-132-Carboxypyropheophorbide a C34H34N4O5 578.2529 NA KEGG NA NA +PJ006478 SSKEE C22H38N6O12 578.2548 NA PeJP NA NA +MJ082730 Withaperuvin H C30H42O9S 578.254953 NA MeJP NA NA +PJ006479 GLQMM C23H42N6O7S2 578.2557 NA PeJP NA NA +PJ006480 GTQHH C23H34N10O8 578.2561 NA PeJP NA NA +MJ082731 4,9-Epoxycholestane-3,21-diol, Disulfate C27H46O9S2 578.258324 NA MeJP NA NA +MJ082732 Cholest-24-ene-2,3,21-triol, 3,21-Disulfate C27H46O9S2 578.258324 NA MeJP NA NA +MJ082733 Cholest-5-ene-1,3,21-triol, 3,21-Disulfate C27H46O9S2 578.258324 NA MeJP NA NA +MJ082734 Cholest-5-ene-2,3,21-triol, 2,21-Disulfate C27H46O9S2 578.258324 NA MeJP NA NA +MJ082735 Cholest-5-ene-2,3,21-triol, 3,21-Disulfate C27H46O9S2 578.258324 NA MeJP NA NA +MJ082736 Cholest-5-ene-3,11,21-triol, 3,21-Disulfate C27H46O9S2 578.258324 NA MeJP NA NA +MJ082737 Cholest-5-ene-3,4,21-triol, 3,21-Disulfate C27H46O9S2 578.258324 NA MeJP NA NA +MJ082738 Cholest-9(11)-ene-3,6,23-triol, 3,6-Disulfate C27H46O9S2 578.258324 NA MeJP NA NA +C06541 Deserpidine C32H38N2O8 578.2628 NA KEGG NA NA +MJ082739 Deserpidine C32H38N2O8 578.262816 NA MeJP NA NA +MJ082740 Mefeserpine C32H38N2O8 578.262816 NA MeJP NA NA +MJ082741 Reserpic acid; O-(3,4-Dimethoxybenzoyl), Me ester C32H38N2O8 578.262816 NA MeJP NA NA +PJ006481 SMRW C25H38N8O6S 578.2635 NA PeJP NA NA +PJ006482 SSTER C21H38N8O11 578.266 NA PeJP NA NA +PJ006483 AAMMR C22H42N8O6S2 578.2669 NA PeJP NA NA +PJ006484 SSSLW C26H38N6O9 578.27 NA PeJP NA NA +MJ082742 Manduca sexta Midgut myotropin I C26H38N6O9 578.270026 NA MeJP NA NA +PJ006485 GPDKY C26H38N6O9 578.2701 NA PeJP NA NA +MJ082743 11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 5,7,9,10,13-Penta-Ac C30H42O11 578.272712 NA MeJP NA NA +MJ082744 16-Kaurene-1,3,6,7,11,15-hexol, 1,3,6,7,11-Penta-Ac C30H42O11 578.272712 NA MeJP NA NA +MJ082745 16-Kaurene-1,3,6,7,11,15-hexol, 1,6,7,11,15-Penta-Ac C30H42O11 578.272712 NA MeJP NA NA +MJ082746 16-Kaurene-2,3,6,7,11,15-hexol, 2,3,6,7,11-Penta-Ac C30H42O11 578.272712 NA MeJP NA NA +MJ082747 17-Hydroxyandrosta-4,6,15-trien-3-one; 17?-form, 17-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C30H42O11 578.272712 NA MeJP NA NA +MJ082748 3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 3-O-?-D-Glucopyranoside C30H42O11 578.272712 NA MeJP NA NA +MJ082749 4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 2,7,9,10,13-Penta-Ac C30H42O11 578.272712 NA MeJP NA NA +MJ082750 4(20),11-Taxadiene-2,5,7,9,10-pentol, 4,20-Epoxide, penta-Ac C30H42O11 578.272712 NA MeJP NA NA +MJ082751 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 12-(2-Methylpropanoyl), 1,6,19-tri-Ac C30H42O11 578.272712 NA MeJP NA NA +MJ082752 5,20-Epoxy-11-taxene-2,4,7,9,10-pentol, Penta-Ac C30H42O11 578.272712 NA MeJP NA NA +MJ082753 7,8-Epoxy-3,11,14-trihydroxy-12-oxocard-20(22)-enolide, 3-O-D-Digitaloside C30H42O11 578.272712 NA MeJP NA NA +MJ082754 8,17-Epoxy-2,4,9,11,12-pentahydroxy-5,13-briaradien-18,7-olide, 4-Hexanoyl, 2,9-di-Ac C30H42O11 578.272712 NA MeJP NA NA +MJ082755 8,17-Epoxy-2,9,12,14-tetrahydroxy-5-briaren-18,7-olide; 2-Butanoyl, 9,12,14-tri-Ac C30H42O11 578.272712 NA MeJP NA NA +MJ082756 Affinoside C; 4'?,12?-Dihydroxy C30H42O11 578.272712 NA MeJP NA NA +MJ082757 Affinoside C; 4'?,12?-Dihydroxy C30H42O11 578.272712 NA MeJP NA NA +MJ082758 Affinoside C; 5,12?-Dihydroxy C30H42O11 578.272712 NA MeJP NA NA +MJ082759 Perdeacyldecipinone; 5-Butanoyl, 3,13,15-tri-Ac C30H42O11 578.272712 NA MeJP NA NA +PJ006486 ATKEM C23H42N6O9S 578.2734 NA PeJP NA NA +7412 celiac sprue gluten epitope found in secalin QRPEQQFPQ 578.2735 MH2+ Inhouse_peptide NA peptide +PJ006487 GSPRY C25H38N8O8 578.2813 NA PeJP NA NA +PJ006488 ATTMR C22H42N8O8S 578.2847 NA PeJP NA NA +PJ006489 VQFW C30H38N6O6 578.2853 NA PeJP NA NA +MJ082760 Atrataphloroglucinol A C34H42O8 578.287968 NA MeJP NA NA +MJ082761 Depsidellin C C34H42O8 578.287968 NA MeJP NA NA +PJ006490 GPKMF C27H42N6O6S 578.2887 NA PeJP NA NA +PJ006491 TTTKE C23H42N6O11 578.2912 NA PeJP NA NA +PJ006492 GLKMM C24H46N6O6S2 578.292 NA PeJP NA NA +PJ006493 AVKMM C24H46N6O6S2 578.2921 NA PeJP NA NA +PJ006494 GTKHH C24H38N10O7 578.2925 NA PeJP NA NA +MJ082762 Difebarbamate C28H42N4O9 578.295178 NA MeJP NA NA +PJ006495 AFRW C29H38N8O5 578.2965 NA PeJP NA NA +PJ006496 TTTTR C22H42N8O10 578.3024 NA PeJP NA NA +PJ006497 APTKY C27H42N6O8 578.3064 NA PeJP NA NA +MJ082763 2,12,14-Trihydroxy-9-oxo-5,7-briaradien-18-oic acid; 7?,8?-Epoxide, 2,12-dibutanoyl, 14-Ac, Me ester C31H46O10 578.309097 NA MeJP NA NA +MJ082764 2,8,9,13,14-Pentahydroxy-5,11-briaradien-18-7-olide; 13,14-Dibutanoyl, 2-propanoyl C31H46O10 578.309097 NA MeJP NA NA +MJ082765 2,8,9,13,14-Pentahydroxy-5,11-briaradien-18-7-olide; 2-Hexanoyl, 14-propanoyl, 13-Ac C31H46O10 578.309097 NA MeJP NA NA +MJ082766 3,14,19-Trihydroxycard-20(22)-enolide, 19-Ac, 3-O-(6-deoxy-?-D-allopyranoside) C31H46O10 578.309097 NA MeJP NA NA +MJ082767 3,18-Dihydroxy-8(17),13-labdadien-15,16-olide, 3-Angeloyl, 18-O-?-D-glucopyranoside C31H46O10 578.309097 NA MeJP NA NA +MJ082768 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,3-Di-O-methyl-?-D-fucopyranoside) C31H46O10 578.309097 NA MeJP NA NA +MJ082769 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-2,3-di-O-methyl-?-D-glucopyranoside) C31H46O10 578.309097 NA MeJP NA NA +MJ082770 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(6-O-Acetyl-2-deoxy-?-D-lyxo-hexopyranoside) C31H46O10 578.309097 NA MeJP NA NA +MJ082771 3,5,7,8,15-Pentahydroxy-6(17)11-jatrophadiene-9,14-dione, 5,7-Bis(2-methylpropanoyl), 3-propanoyl C31H46O10 578.309097 NA MeJP NA NA +MJ082772 Gitaloxigenin; 3-O-D-Digitaloside C31H46O10 578.309097 NA MeJP NA NA +MJ082773 Oscillatoxin A C31H46O10 578.309097 NA MeJP NA NA +C16771 Oscillatoxin A C31H46O10 578.3091 NA KEGG NA NA +PJ006498 STLKM C24H46N6O8S 578.3098 NA PeJP NA NA +PJ006499 LQRY C26H42N8O7 578.3177 NA PeJP NA NA +PJ006500 VKFW C31H42N6O5 578.3217 NA PeJP NA NA +MJ082774 Hermonionic acid C35H46O7 578.324353 NA MeJP NA NA +PJ006501 TFRR C25H42N10O6 578.3289 NA PeJP NA NA +MJ082775 Echinophyllin B C34H46N2O6 578.335587 NA MeJP NA NA +MJ082776 Echinophyllin E C34H46N2O6 578.335587 NA MeJP NA NA +MJ082777 Roserythrin C39H46O4 578.339609 NA MeJP NA NA +PJ006502 GVLKY C28H46N6O7 578.3428 NA PeJP NA NA +MJ082778 Spirost-4-ene-2,3,11-triol, 11-O-(?-L-Arabinopyranoside) C32H50O9 578.345483 NA MeJP NA NA +PJ006503 LKRY C27H46N8O6 578.3541 NA PeJP NA NA +C13554 Prednisolone 21-all-cis-farnesylate C36H50O6 578.3607 NA KEGG NA NA +C13555 Transferred to D02050 C36H50O6 578.3607 NA KEGG NA NA +MJ082779 34-Ethylhuratoxin; 5-Deoxy, 6,7-deepoxy, 6,7,26,27-tetradehydro C36H50O6 578.360739 NA MeJP NA NA +MJ082780 Hugonone A; 3-Ketone C36H50O6 578.360739 NA MeJP NA NA +MJ082781 Baleabuxidine I; N20,N20-Di-Me, N3-benzoyl, O16-Ac C35H50N2O5 578.371972 NA MeJP NA NA +MJ082782 Buxalongifolamidine C35H50N2O5 578.371972 NA MeJP NA NA +MJ082783 Buxoxybenzamine C35H50N2O5 578.371972 NA MeJP NA NA +MJ082784 Anhydroamarouciaxanthin B C40H50O3 578.375995 NA MeJP NA NA +MJ082785 Gelliodenone C40H50O3 578.375995 NA MeJP NA NA +MJ082786 Antibiotic FD 892; 8?,9?-Epoxide, 10?-hydroxy, 25-Me ether C33H54O8 578.381868 NA MeJP NA NA +MJ082787 Antibiotic MA 2664-II C33H54O8 578.381868 NA MeJP NA NA +MJ082788 Cholesta-5,24-diene-3,11,16,22-tetrol, 16-O-?-L-Rhamnopyranoside C33H54O8 578.381868 NA MeJP NA NA +MJ082789 Cholesta-7,9(11)-diene-3,4,15,24-tetrol, 3-(2-O-Methyl-?-D-xylopyranoside) C33H54O8 578.381868 NA MeJP NA NA +MJ082790 Spirostan-3-ol, 3-O-?-D-Galactopyranoside C33H54O8 578.381868 NA MeJP NA NA +MJ082791 Spirostan-3-ol, 3-O-?-D-Glucopyranoside C33H54O8 578.381868 NA MeJP NA NA +MJ082792 Spirostan-3-ol, 3-O-?-D-Galactopyranoside C33H54O8 578.381868 NA MeJP NA NA +MJ082793 Spirostan-3-ol, 3-O-?-D-Glucopyranoside C33H54O8 578.381868 NA MeJP NA NA +MJ082794 Spirostane-1,3-diol, 1-O-?-L-Fucopyranoside C33H54O8 578.381868 NA MeJP NA NA +MetaCyc03897 (25S)-5-β-spirostan-3-β-ol 3-0-β-D-glucoside [] C33H54O8 578.381869 NA metacyc NA NA +MetaCyc03898 (25S)-5β-spirostan-3β-ol 3-O-β-D- glucoside [] C33H54O8 578.381869 NA metacyc NA NA +C08886 Asparagoside A C33H54O8 578.3819 NA KEGG NA NA +C17074 Timosaponin A-I C33H54O8 578.3819 NA KEGG NA NA +MJ082795 Antibiotic A 9828 C30H58O10 578.402998 NA MeJP NA NA +MJ082796 Buxanoldine; 9,11-Dihydro, N3-Me, O16-Ac C36H54N2O4 578.408358 NA MeJP NA NA +MJ082797 Okenone C41H54O2 578.41238 NA MeJP NA NA +MJ082798 Ergost-5-ene-3,16,25-triol, 3-O-?-L-Fucopyranoside C34H58O7 578.418254 NA MeJP NA NA +HMDB12146 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol C38H58O4 578.433533 NA HMDB2010 NA NA +MJ082799 29-(2,3,4,5-Tetrahydroxypentyl)-6,11-hopanediol C35H62O6 578.454639 NA MeJP NA NA +MJ082800 Annonacin; 4-Deoxy, 10-ketone C35H62O6 578.454639 NA MeJP NA NA +MJ082801 Asimilobin C35H62O6 578.454639 NA MeJP NA NA +MJ082802 Atemoyin C35H62O6 578.454639 NA MeJP NA NA +MJ082803 Goniotrionin C35H62O6 578.454639 NA MeJP NA NA +MJ082804 Murisolinone, 11,12Z-Didehydro C35H62O6 578.454639 NA MeJP NA NA +MJ082805 Parviflorin; 22-Epimer, 4-deoxy C35H62O6 578.454639 NA MeJP NA NA +MJ082806 Rollidecin C C35H62O6 578.454639 NA MeJP NA NA +MJ082807 Rollimembrin; 4-Deoxy C35H62O6 578.454639 NA MeJP NA NA +HMDB07074 DG(15:0/18:2(9Z,12Z)/0:0) C36H66O5 578.491028 NA HMDB2010 NA NA +HMDB07242 DG(18:2(9Z,12Z)/15:0/0:0) C36H66O5 578.491028 NA HMDB2010 NA NA +MJ082808 14-Oxoheptadecanoic acid; 15-Oxoeicosyl ester C37H70O4 578.52741 NA MeJP NA NA +MJ082809 Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 1'-O-Octadecanoyl C37H70O4 578.52741 NA MeJP NA NA +MJ082810 Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 3-O-Octadecanoyl C37H70O4 578.52741 NA MeJP NA NA +MJ082811 Tonkinelin C37H70O4 578.52741 NA MeJP NA NA +MJ082812 35-Hydroxynonatriacontanal C39H78O2 578.600181 NA MeJP NA NA +MJ082813 2-Tetracontanol C40H82O 578.636567 NA MeJP NA NA +5531 hevein CPNNLCCSQWGWCG 578.7559 MH2+ Inhouse_peptide NA peptide +2892 neuropeptide from eyestalk of Macrobrachium rosenb GYNRSFLRF~ 578.79845 MH2+ Inhouse_peptide NA peptide +8316 Anticancer peptide ENLHLPLPLL 578.83345 MH2+ Inhouse_peptide NA peptide +PJ006504 CCCDH C19H29N7O8S3 579.124 NA PeJP NA NA +FL7AAIGL0011 Malvidin 3-(6''-malonylglucoside) C26H27O15 579.13499 122856-12-6 knapsack NA NA +MJ082814 Benanomicin A; Aglycone, 7-methoxy C29H25NO12 579.137675 NA MeJP NA NA +C06781 7-Methoxypradimicinone II C29H25NO12 579.1377 NA KEGG NA NA +FL7AAAGL0017 Pelargonidin 3-p-coumarylglucoside C30H27O12 579.15025 - knapsack NA NA +MetaCyc03899 pelargonidin 3-O-β-D-p-coumaroylglucoside [] C30H27O12 579.150251 NA metacyc NA NA +C16368 Pelargonidin 3-(6-p-coumaroyl)glucoside C30H27O12 579.1503 NA KEGG NA NA +MJ082815 Cephamycin B C25H29N3O11S 579.152279 NA MeJP NA NA +PJ006505 CNNDD C19H29N7O12S 579.1595 NA PeJP NA NA +PJ006506 SCCMH C20H33N7O7S3 579.1604 NA PeJP NA NA +PJ006507 SDDDE C20H29N5O15 579.166 NA PeJP NA NA +PJ006508 PCDDM C21H33N5O10S2 579.1669 NA PeJP NA NA +FL7AAAGA0003 Pelargonidin 3-robinobioside C27H31O14 579.17138 54594-31-9 knapsack NA NA +FL7AAAGL0006 Pelargonidin 3-neohesperidoside;Pelargonidin 3-(2-rhamnosylglucoside) C27H31O14 579.17138 118964-12-8 knapsack NA NA +FL7AAAGL0007 Pelargonidin 3-rutinoside C27H31O14 579.17138 33978-17-5 knapsack NA NA +FL7AAAGS0004 Pelargonidin 3-rhamnoside-5-glucoside C27H31O14 579.17138 53925-32-9 knapsack NA NA +FL7DAAGS0003 Apigeninidin 5,7-diglucoside C27H31O14 579.17138 53948-04-2 knapsack NA NA +MetaCyc03900 pelargonidin-3-O-rutinoside [pelargonidin-3-O-rhamnoglucoside;] C27H31O14 579.171381 NA metacyc NA NA +C12644 Pelargonidin 3-O-rutinoside C27H31O14 579.1714 NA KEGG NA NA +PJ006509 GSPCCN C20H33N7O9S2 579.1781 NA PeJP NA NA +PJ006510 GGGSPCC C20H33N7O9S2 579.1782 NA PeJP NA NA +MJ082816 N-Acetyl-O-demethylpuromycin-5'-phosphate C23H30N7O9P 579.184262 NA MeJP NA NA +C07030 N-Acetyl-O-demethylpuromycin-5'-phosphate C23H30N7O9P 579.1843 NA KEGG NA NA +PJ006511 GDEEM C21H33N5O12S 579.1847 NA PeJP NA NA +PJ006512 ACCHF C24H33N7O6S2 579.1934 NA PeJP NA NA +MJ082817 Geodiamolide D; Bromo analogue C27H38BrN3O6 579.194398 NA MeJP NA NA +PJ006513 SNNDM C20H33N7O11S 579.1959 NA PeJP NA NA +PJ006514 DEMW C25H33N5O9S 579.1999 NA PeJP NA NA +PJ006515 SSEEE C21H33N5O14 579.2024 NA PeJP NA NA +PJ006516 SPDMM C22H37N5O9S2 579.2033 NA PeJP NA NA +PJ006517 GDDHH C22H29N9O10 579.2038 NA PeJP NA NA +MJ082818 Denticin A C30H33N3O7S 579.203921 NA MeJP NA NA +MJ082819 Ravidomycin; 1'',2''-Epoxide C31H33NO10 579.210446 NA MeJP NA NA +MJ082820 Ravidomycin; N-Oxide C31H33NO10 579.210446 NA MeJP NA NA +PJ006518 GSCQW C24H33N7O8S 579.2112 NA PeJP NA NA +PJ006519 ASSSND C20H33N7O13 579.2136 NA PeJP NA NA +PJ006520 GSSSNE C20H33N7O13 579.2137 NA PeJP NA NA +PJ006521 GNQMM C21H37N7O8S2 579.2145 NA PeJP NA NA +PJ006522 GPDEY C25H33N5O11 579.2177 NA PeJP NA NA +PJ006523 ATEEM C22H37N5O11S 579.2211 NA PeJP NA NA +PJ006524 APMMM C23H41N5O6S3 579.2219 NA PeJP NA NA +PJ006525 SPCHH C23H33N9O7S 579.2224 NA PeJP NA NA +PJ006526 GCNMR C20H37N9O7S2 579.2258 NA PeJP NA NA +PJ006527 SSSNW C24H33N7O10 579.2289 NA PeJP NA NA +MJ082821 Ipecosidic acid; 6-Me ether, Me ester C28H37NO12 579.231575 NA MeJP NA NA +MJ082822 Ipecosidic acid; 7-Me ether, Me ester C28H37NO12 579.231575 NA MeJP NA NA +MJ082823 Neoipecoside; 7-Me ether C28H37NO12 579.231575 NA MeJP NA NA +PJ006528 SSQQM C21H37N7O10S 579.2323 NA PeJP NA NA +PJ006529 PDYW C29H33N5O8 579.2329 NA PeJP NA NA +PJ006530 PPTCY C26H37N5O8S 579.2363 NA PeJP NA NA +PJ006531 TTTEE C22H37N5O13 579.2388 NA PeJP NA NA +PJ006532 GLEMM C23H41N5O8S2 579.2397 NA PeJP NA NA +PJ006533 GTEHH C23H33N9O9 579.2402 NA PeJP NA NA +PJ006534 SSCQR C20H37N9O9S 579.2435 NA PeJP NA NA +PJ006535 NNFW C28H33N7O7 579.2442 NA PeJP NA NA +MJ082824 1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 6-(3-Pyridinecarbonyl), 1-cinnamoyl, 9-Ac C32H37NO9 579.246831 NA MeJP NA NA +MJ082825 1,2,6,9-Tetrahydroxydihydro-?-agarofuran, 3-(3-Pyridinecarbonyl), 9-benzoyl, 1,2-di-Ac C32H37NO9 579.246831 NA MeJP NA NA +MJ082826 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 6-benzoyl, 1,8-di-Ac C32H37NO9 579.246831 NA MeJP NA NA +MJ082827 1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 14-(2-Pyridinecarbonyl), 9-benzoyl, 1,8-di-Ac C32H37NO9 579.246831 NA MeJP NA NA +MJ082828 1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 9-benzoyl, 1,8-di-Ac C32H37NO9 579.246831 NA MeJP NA NA +MJ082829 1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 14-benzoyl, 1,8-di-Ac C32H37NO9 579.246831 NA MeJP NA NA +PJ006536 GSCKW C25H37N7O7S 579.2475 NA PeJP NA NA +MJ082830 1-[[(2-Nitrophenyl)amino]carbonyl]prolyl-N-methyl-3-(2-naphthalenyl)-N-phenylmethylalaninamide C33H33N5O5 579.248169 NA MeJP NA NA +PJ006537 GSSSDK C21H37N7O12 579.25 NA PeJP NA NA +PJ006538 GNKMM C22H41N7O7S2 579.2509 NA PeJP NA NA +PJ006539 PMFW C30H37N5O5S 579.2516 NA PeJP NA NA +HMDB02486 Taurochenodeoxycholate-3-sulfate C26H45NO9S2 579.25354 http://www.hmdb.ca/metabolites/HMDB02486 HMDB NA NA +HMDB02486 Taurochenodeoxycholate-3-sulfate C26H45NO9S2 579.25354 HMDB02486 PFEM_hmdb_metabocards_official NA NA +HMDB02486 Taurochenodeoxycholate-3-sulfate C26H45NO9S2 579.253601 NA HMDB2010 NA NA +HMDB02498 Taurochenodeoxycholate-7-sulfate C26H45NO9S2 579.253601 NA HMDB2010 NA NA +PJ006540 APTEY C26H37N5O10 579.2541 NA PeJP NA NA +PJ006541 LMMW C27H41N5O5S2 579.2549 NA PeJP NA NA +PJ006542 THHW C27H33N9O6 579.2554 NA PeJP NA NA +3263 b-casomorphin-5 (60-64) YPFPG 579.256 ACE inhibitor Inhouse_peptide NA peptide +PJ006543 STLEM C23H41N5O10S 579.2574 NA PeJP NA NA +PJ006544 GVMHH C24H37N9O6S 579.2588 NA PeJP NA NA +PJ006545 GSSSSR C20H37N9O11 579.2613 NA PeJP NA NA +PJ006546 ACCKR C21H41N9O6S2 579.2622 NA PeJP NA NA +7338 celiac sprue gluten epitope from gamma-gliadin QQQQQQFPQ 579.263 MH2+ Inhouse_peptide NA peptide +PJ006547 AAQQY C25H37N7O9 579.2653 NA PeJP NA NA +PJ006548 SSQKM C22H41N7O9S 579.2687 NA PeJP NA NA +MJ082831 Deprolorphin C30H37N5O7 579.269298 NA MeJP NA NA +PJ006549 VEFW C30H37N5O7 579.2693 NA PeJP NA NA +PJ006550 MHHR C23H37N11O5S 579.27 NA PeJP NA NA +PJ006551 GPLMY C27H41N5O7S 579.2727 NA PeJP NA NA +PJ006552 SVLMM C24H45N5O7S2 579.2761 NA PeJP NA NA +PJ006553 NQRY C24H37N9O8 579.2765 NA PeJP NA NA +PJ006554 GGGGPVH C24H37N9O8 579.2766 NA PeJP NA NA +3790 NA YPTSL 579.278 ACE inhibitor Inhouse_peptide NA peptide +PJ006555 SSCKR C21H41N9O8S 579.2799 NA PeJP NA NA +MJ082832 Anopterine; O11-Detigloyl, O11-(4-hydroxybenzoyl) C33H41NO8 579.283217 NA MeJP NA NA +MJ082833 Lythrancine I; 3-Epimer, tri-Ac C33H41NO8 579.283217 NA MeJP NA NA +MJ082834 Lythrancine I; Tri-Ac C33H41NO8 579.283217 NA MeJP NA NA +PJ006556 PPVMH C26H41N7O6S 579.2839 NA PeJP NA NA +MJ082835 5-?-Indolylmethyl-8-N-(N-methylvalyl)-9-phenylphencyclopeptine C34H37N5O4 579.284554 NA MeJP NA NA +PJ006557 GSSTTK C22H41N7O11 579.2864 NA PeJP NA NA +PJ006558 ACKKM C23H45N7O6S2 579.2873 NA PeJP NA NA +PJ006559 GPNHR C23H37N11O7 579.2878 NA PeJP NA NA +PJ006560 SPTLY C27H41N5O9 579.2904 NA PeJP NA NA +PJ006561 GVLEY C27H41N5O9 579.2905 NA PeJP NA NA +3497 ACE inhibitor (from bovine as1-CN) FFVAP 579.293 ACE inhibitor Inhouse_peptide NA peptide +MJ082836 Verruculogen; O13-3-Methyl-2-butenyl C32H41N3O7 579.29445 NA MeJP NA NA +3044 inhibitor of fibrinogen and thrombin coagulation GPRGPP 579.299 celiac toxic Inhouse_peptide NA peptide +PJ006562 LERY C26H41N7O8 579.3017 NA PeJP NA NA +PJ006563 TTCKK C23H45N7O8S 579.305 NA PeJP NA NA +PJ006564 SSKKM C23H45N7O8S 579.3051 NA PeJP NA NA +PJ006565 VLYW C31H41N5O6 579.3057 NA PeJP NA NA +PJ006566 GLLMF C28H45N5O6S 579.3091 NA PeJP NA NA +PJ006567 NKRY C25H41N9O7 579.3129 NA PeJP NA NA +MJ082837 Rhizoxin; 2,3:11,12-Bisdeepoxy, 2,3,11,12-tetradehydro, O-de-Me C34H45NO7 579.319602 NA MeJP NA NA +PJ006568 ATLLY C28H45N5O8 579.3268 NA PeJP NA NA +MJ082838 Destruxin E; Destruxin E2 C28H45N5O8 579.326813 NA MeJP NA NA +PJ006569 AAKKY C27H45N7O7 579.3381 NA PeJP NA NA +MJ082839 Apicidin; Pyrrolidine analogue, N-demethoxy C32H45N5O5 579.342069 NA MeJP NA NA +PJ006570 APKKH C26H45N9O6 579.3493 NA PeJP NA NA +EUR902 Lyso PE 22:2 [M+FA-H]- C27H52NO7P 579.353022 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR902 Lyso PE 22:2 [M+FA-H]- C27H52NO7P 579.353022 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR902 Lyso PE 22:2 [M+FA-H]- C27H52NO7P 579.353022 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR902 Lyso PE 22:2 [M+FA-H]- C27H52NO7P 579.353022 masses lipides attendues Inhousejuil11 NA NA +EUR663 Lyso PC 18:2 [M-H+acetate]- C26H50NO7P 579.353592 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR663 Lyso PC 18:2 [M-H+acetate]- C26H50NO7P 579.353592 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR663 Lyso PC 18:2 [M-H+acetate]- C26H50NO7P 579.353592 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR663 Lyso PC 18:2 [M-H+acetate]- C26H50NO7P 579.353592 masses lipides attendues Inhousejuil11 NA NA +MJ082840 Destruxin A; Destruxin A, Dihydro C29H49N5O7 579.363198 NA MeJP NA NA +MJ082841 Destruxin B; Destruxin B, NVal-De-Me C29H49N5O7 579.363198 NA MeJP NA NA +MJ082842 Destruxin B; Destruxin B2 C29H49N5O7 579.363198 NA MeJP NA NA +PJ006571 VVLLH C28H49N7O6 579.3745 NA PeJP NA NA +MJ082843 Hexanolamino-PAF C30H62NO7P 579.426389 NA MeJP NA NA +EUR769 Lyso PC 22:0 monoisotopic mass C30H62NO7P 579.426392 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR769 Lyso PC 22:0 monoisotopic mass C30H62NO7P 579.426392 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR769 Lyso PC 22:0 monoisotopic mass C30H62NO7P 579.426392 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB10398 LysoPC(22:0) C30H62NO7P 579.426392 NA HMDB2010 NA NA +EUR769 Lyso PC 22:0 monoisotopic mass C30H62NO7P 579.426392 masses lipides attendues Inhousejuil11 NA NA +C01284 1D-myo-Inositol 1,3,4,5,6-pentakisphosphate C6H17O21P5 579.895 NA KEGG NA NA +C04563 D-myo-Inositol 1,2,4,5,6-pentakisphosphate C6H17O21P5 579.895 NA KEGG NA NA +C04564 [Isocitrate dehydrogenase (NADP+)] phosphate C4H7N2O6PR2 579.895 NA KEGG NA NA +C04565 Low-density lipoprotein O-phospho-L-serine C4H7N2O6PR2 579.895 NA KEGG NA NA +C04566 Membrane-derived-oligosaccharide D-glucose C4H7N2O6PR2 579.895 NA KEGG NA NA +C04570 Reduced electron-transferring flavoprotein C4H7N2O6PR2 579.895 NA KEGG NA NA +C04579 Inositol 1,2,3,5,6-pentakisphosphate C6H17O21P5 579.895 NA KEGG NA NA +C15990 1L-myo-Inositol 1,2,3,4,6-pentakisphosphate C6H17O21P5 579.895 NA KEGG NA NA +C15991 myo-Inositol pentakisphosphate C6H17O21P5 579.895 NA KEGG NA NA +HMDB03529 Inositol 1,3,4,5,6-pentakisphosphate C6H17O21P5 579.89502 http://www.hmdb.ca/metabolites/HMDB03529 HMDB NA NA +HMDB03529 Inositol 1,3,4,5,6-pentakisphosphate C6H17O21P5 579.89502 HMDB03529 PFEM_hmdb_metabocards_official NA NA +HMDB03529 Inositol 1,3,4,5,6-pentakisphosphate C6H17O21P5 579.89502 NA HMDB2010 NA NA +MJ082844 1D-myo-Inositol 1,3,4,5,6-pentakisphosphate C6H17O21P5 579.89504 NA MeJP NA NA +MJ082845 D-myo-Inositol 1,2,4,5,6-pentakisphosphate C6H17O21P5 579.89504 NA MeJP NA NA +MJ082846 Inositol 1,2,3,4,5-pentakisphosphate C6H17O21P5 579.89504 NA MeJP NA NA +MetaCyc03901 L-myo-inositol 1,2,3,4,6-pentakisphosphate [Ins(12346)P5;] C6H17O21P5 579.89504 NA metacyc NA NA +MJ082847 Dragmacidon A; 7'-Bromo, 4'-hydroxy C21H19Br3N4O 579.910899 NA MeJP NA NA +MJ082848 UDP-D-galacturonate C15H22N2O18P2 580.034284 NA MeJP NA NA +MJ082849 UDP-L-iduronate C15H22N2O18P2 580.034284 NA MeJP NA NA +MJ082850 UDPglucuronate C15H22N2O18P2 580.034284 NA MeJP NA NA +MetaCyc03902 UDP-D-galacturonate [UDP-galacturonate;] C15H22N2O18P2 580.034285 NA metacyc NA NA +MetaCyc03903 UDP-L-iduronate [] C15H22N2O18P2 580.034285 NA metacyc NA NA +MetaCyc03904 UDP-D-glucuronate [udp-glcua;UDP-glucuronate;uridine diphosphate glucuronate;uridine diphosphate glucuronic acid;] C15H22N2O18P2 580.034285 2616-64-0 metacyc NA NA +HMDB00935 Uridine diphosphate glucuronic acid C15H22N2O18P2 580.0343 http://www.hmdb.ca/metabolites/HMDB00935 HMDB NA NA +C00167 UDP-glucuronate C15H22N2O18P2 580.0343 NA KEGG NA NA +C00617 UDP-D-galacturonate C15H22N2O18P2 580.0343 NA KEGG NA NA +C02330 UDP-L-iduronate C15H22N2O18P2 580.0343 NA KEGG NA NA +HMDB00935 Uridine diphosphate glucuronic acid C15H22N2O18P2 580.0343 HMDB00935 PFEM_hmdb_metabocards_official NA NA +HMDB00935 Uridine diphosphate glucuronic acid C15H22N2O18P2 580.034302 NA HMDB2010 NA NA +HMDB12302 UDP-D-galacturonate C15H22N2O18P2 580.034302 NA HMDB2010 NA NA +HMDB12304 UDP-L-iduronate C15H22N2O18P2 580.034302 NA HMDB2010 NA NA +MJ082851 Theaflavic acid; 3-Epimer, 3-O-(3,4,5-trihydroxybenzoyl) C28H20O14 580.085305 NA MeJP NA NA +MJ082852 Sprodiamide C16H26DyN5O8 580.107308 NA MeJP NA NA +C15624 GW 2433 C28H28Cl3FN2O4 580.1099 NA KEGG NA NA +C10182 Sciadopitysin C33H24O10 580.1369 NA KEGG NA NA +MJ082853 6-C-Methylamentoflavone; 4',7-Di-Me ether C33H24O10 580.136946 NA MeJP NA NA +MJ082854 Abiesin C33H24O10 580.136946 NA MeJP NA NA +MJ082855 Agathisflavone; 4''',7,7''-Tri-Me ether C33H24O10 580.136946 NA MeJP NA NA +MJ082856 Amentoflavone; 4''',7,7''-Tri-Me ether C33H24O10 580.136946 NA MeJP NA NA +MJ082857 Amentoflavone; 4',4''',7''-Tri-Me ether C33H24O10 580.136946 NA MeJP NA NA +MJ082858 Amentoflavone; 4',4''',7-Tri-Me ether C33H24O10 580.136946 NA MeJP NA NA +MJ082859 Amentoflavone; 4',7,7''-Tri-Me ether C33H24O10 580.136946 NA MeJP NA NA +MJ082860 Robustaflavone; 4''',7,7''-Tri-Me ether C33H24O10 580.136946 NA MeJP NA NA +MJ082861 Sinapiquinone C33H24O10 580.136946 NA MeJP NA NA +C10026 Carlinoside C26H28O15 580.1428 NA KEGG NA NA +C10109 Neocarlinoside C26H28O15 580.1428 NA KEGG NA NA +MJ082862 3',4',5,6,7-Pentahydroxyflavone; 4'-O-?-L-Rhamnopyranoside, 7-O-L-arabinopyranoside C26H28O15 580.14282 NA MeJP NA NA +MJ082863 3',4',5,6,7-Pentahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?4)-D-xylopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082864 3',4',5,7-Tetrahydroxyflavone; 3'-O-Xylopyranoside, 7-O-glucopyranoside C26H28O15 580.14282 NA MeJP NA NA +MJ082865 3',4',5,7-Tetrahydroxyflavone; 3'-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082866 3',4',5,7-Tetrahydroxyflavone; 5(7)-Galactoside, 7(5)-xyloside C26H28O15 580.14282 NA MeJP NA NA +MJ082867 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082868 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Galactopyranosyl-(1?4)-?-L-arabinopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082869 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?4)-?-L-arabinopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082870 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082871 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082872 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082873 3',4',5,7-Tetrahydroxyflavone; 7-O-[Arabinosyl-(1??)-?-D-glucopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082874 3',4',5,7-Tetrahydroxyflavone; 7-O-[D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082875 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082876 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082877 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnofuranosyl-(1?2)-?-L-arabinopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082878 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinofuranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082879 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082880 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1??)-xyloside] C26H28O15 580.14282 NA MeJP NA NA +MJ082881 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[Arabinosyl-(1??)-arabinoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082882 3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-[Xylosyl-(1??)-arabinoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082883 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Glucopyranosyl-?-D-xylofuranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082884 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082885 3,4',5,7-Tetrahydroxyflavone; 3-O-[Arabinosyl-(1??)-glucoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082886 3,4',5,7-Tetrahydroxyflavone; 3-O-[Xylosyl-(??)-glucoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082887 3,4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082888 4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082889 4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-galactopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082890 4',5,7,8-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082891 4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 5-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C26H28O15 580.14282 NA MeJP NA NA +MJ082892 Astragalin; 2''-O-?-D-Apiofuranosyl C26H28O15 580.14282 NA MeJP NA NA +MJ082893 Astragalin; 6''-O-?-L-Arabinopyranosyl C26H28O15 580.14282 NA MeJP NA NA +MJ082894 Astragalin; 7-O-Xylopyranoside C26H28O15 580.14282 NA MeJP NA NA +MJ082895 Astragalin; 7-O-?-L-Arabinopyranoside C26H28O15 580.14282 NA MeJP NA NA +MJ082896 Astragalin; O''-Xylosyl C26H28O15 580.14282 NA MeJP NA NA +MJ082897 Carlinoside C26H28O15 580.14282 NA MeJP NA NA +MJ082898 Isocarlinoside C26H28O15 580.14282 NA MeJP NA NA +MJ082899 Isoorientin; 2''-O-?-D-Xylopyranosyl C26H28O15 580.14282 NA MeJP NA NA +MJ082900 Isoorientin; 2''-O-?-L-Arabinofuranosyl C26H28O15 580.14282 NA MeJP NA NA +MJ082901 Isoorientin; 6''-O-?-L-Arabinopyranosyl C26H28O15 580.14282 NA MeJP NA NA +MJ082902 Lucenin 1 C26H28O15 580.14282 NA MeJP NA NA +MJ082903 Lucenin 3 C26H28O15 580.14282 NA MeJP NA NA +MJ082904 Neocarlinoside C26H28O15 580.14282 NA MeJP NA NA +MJ082905 Orientin; 2''-O-?-Arabinopyranosyl C26H28O15 580.14282 NA MeJP NA NA +MJ082906 Orientin; 2''-O-?-D-Xylopyranosyl C26H28O15 580.14282 NA MeJP NA NA +MJ082907 Orientin; 2''-O-?-L-Arabinofuranosyl C26H28O15 580.14282 NA MeJP NA NA +MJ082908 Orientin; 6''-O-?-D-Xylopyranosyl C26H28O15 580.14282 NA MeJP NA NA +MJ082909 Populnin; 3-O-D-Xyloside C26H28O15 580.14282 NA MeJP NA NA +MJ082910 Quercitrin; 2''-O-?-D-Xylopyranosyl C26H28O15 580.14282 NA MeJP NA NA +MJ082911 Quercitrin; 2''-O-?-L-Arabinopyranosyl C26H28O15 580.14282 NA MeJP NA NA +MJ082912 Quercitrin; 3''-O-?-D-Xylopyranosyl C26H28O15 580.14282 NA MeJP NA NA +MJ082913 Trifolin; 2''-O-?-D-Apiofuranosyl C26H28O15 580.14282 NA MeJP NA NA +MJ082914 Trifolin; 2''-O-?-D-Xylopyranosyl C26H28O15 580.14282 NA MeJP NA NA +MJ082915 Trifolin; 6''-O-L-Arabinopyranosyl C26H28O15 580.14282 NA MeJP NA NA +MJ082916 Vincetoxicoside B; 3-O-Arabinoside C26H28O15 580.14282 NA MeJP NA NA +MJ082917 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside] C26H29O15(+) 580.14282 NA MeJP NA NA +MJ082918 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C26H29O15(+) 580.14282 NA MeJP NA NA +MJ082919 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-glucopyranoside] C26H29O15(+) 580.14282 NA MeJP NA NA +MJ082920 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?4)-D-glucopyranoside] C26H29O15(+) 580.14282 NA MeJP NA NA +MJ082921 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[Arabinosyl-(1??)-galactoside] C26H29O15(+) 580.14282 NA MeJP NA NA +MJ082922 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[Arabinosyl-(1??)-glucoside] C26H29O15(+) 580.14282 NA MeJP NA NA +MJ082923 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[Xylosyl-(1??)-galactoside] C26H29O15(+) 580.14282 NA MeJP NA NA +MJ082924 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[Xylosyl-(1??)-glucoside] C26H29O15(+) 580.14282 NA MeJP NA NA +MJ082925 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[Xylosyl-(??)-galactoside] C26H29O15(+) 580.14282 NA MeJP NA NA +MJ082926 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1??)-arabinoside] C26H29O15(+) 580.14282 NA MeJP NA NA +FL3FACCS0013 Orientin 2''-O-beta-L-arabinofuranoside C26H28O15 580.14282 - knapsack NA NA +FL3FACCS0014 Adonivernith C26H28O15 580.14282 11003-05-7 knapsack NA NA +FL3FACCS0015 Isoorientin 6''-O-alpha-L-arabinoside C26H28O15 580.14282 79078-23-2 knapsack NA NA +FL3FACCS0016 Isoorientin 2''-O-xyloside C26H28O15 580.14282 53563-66-9 knapsack NA NA +FL3FACCS0017 Isoorientin 2''-O-beta-L-arabinofuranoside C26H28O15 580.14282 - knapsack NA NA +FL3FACCS0018 Lucenin 1 C26H28O15 580.14282 35927-39-0 knapsack NA NA +FL3FACCS0019 Lucenin 3 C26H28O15 580.14282 12656-83-6<BR>35927-40-3 knapsack NA NA +FL3FACCS0020 Carlinoside;Lucenin 5;Luteolin 6-C-beta-D-glucopyranoside-8-C-alpha-L-arabinopyranoside C26H28O15 580.14282 59952-97-5 knapsack NA NA +FL3FACCS0021 Isocarlinoside C26H28O15 580.14282 83151-90-0 knapsack NA NA +FL3FACCS0022 Neocarlinoside C26H28O15 580.14282 83151-89-7 knapsack NA NA +FL3FACCS0024 Orientin 2''-O-beta-arabinopyranoside C26H28O15 580.14282 157530-32-0 knapsack NA NA +FL3FACCS0050 Isoorientin 2''-O-apiofuranoside;6-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C26H28O15 580.14282 605671-18-9 knapsack NA NA +FL3FACCS0051 Isoorientin 2''-O-arabinoside C26H28O15 580.14282 182951-72-0 knapsack NA NA +FL3FACDS0001 Isoorientin 7-O-xyloside C26H28O15 580.14282 152231-10-2 knapsack NA NA +FL3FACDS0022 Isoorientin 7-O-apiofuranoside C26H28O15 580.14282 151649-39-7 knapsack NA NA +FL3FACGS0019 Luteolin 7-arabinofuranosyl-(1->6)-glucoside C26H28O15 580.14282 111537-40-7 knapsack NA NA +FL3FACGS0020 Luteolin 7-arabinopyranosyl-(1->6)-glucoside C26H28O15 580.14282 52714-82-6 knapsack NA NA +FL3FACGS0021 Luteolin 7-sambubioside C26H28O15 580.14282 99694-75-4 knapsack NA NA +FL3FACGS0022 Luteolin 7-apiosyl-(1->2)-glucoside;Luteolin 7-O-[2-(beta-D-apiofuranosyl)-beta-D-glucopyranoside] C26H28O15 580.14282 506410-53-3 knapsack NA NA +FL3FACGS0029 Luteolin 7-glucoside-3'-xyloside C26H28O15 580.14282 102506-55-8 knapsack NA NA +FL3FACGS0073 Luteolin 7-glucosyl(1->4)-alpha-L-arabinopyranoside;2-(3,4-Dihydroxyphenyl)-7-[(4-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-5-hydroxy-4H-1-benzopyran-4-one C26H28O15 580.14282 186466-43-3 knapsack NA NA +FL3FACGS0074 Luteolin 7-primeveroside;Luteolin 7-xylosyl(1->6)glucoside;2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one C26H28O15 580.14282 19870-44-1 knapsack NA NA +FL3FACGS0075 Luteolin 7-apiosyl(1->6)glucoside;7-[(6-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one C26H28O15 580.14282 211561-67-0 knapsack NA NA +FL3FACGS0079 Luteolin 3'-xylosyl(1->2)glucoside;5,7-Dihydroxy-2-[4-hydroxy-3-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]phenyl]-4H-1-benzopyran-4-one C26H28O15 580.14282 220916-55-2 knapsack NA NA +FL3FEAGS0028 6-Hydroxyapigenin 7-xylosyl-(1->6)-galactoside;Scutellarein 7-xylosyl-(1->6)-galactoside;5,6-Dihydroxy-2-(4-hydroxyphenyl)-7-[(6-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy]-4H-1-benzopyran-4-one C26H28O15 580.14282 151767-51-0 knapsack NA NA +FL3FECGS0014 6-Hydroxyluteolin 7-rhamnosyl-(1->4)-xyloside C26H28O15 580.14282 67604-93-7 knapsack NA NA +FL3FECGS0019 6-Hydroxyluteolin 7-arabinoside-4'-rhamnoside C26H28O15 580.14282 53020-88-5 knapsack NA NA +FL3FFAGS0013 8-Hydroxyapigenin 7-glucosyl-(1->2)-xyloside;7-[(2-O-beta-D-Glucopyranosyl-beta-D-xylopyranosyl)oxy]-5,8-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C26H28O15 580.14282 175923-47-4 knapsack NA NA +FL5FAAGA0003 Kaempferol 3-apiosyl-(1->2)-galactoside C26H28O15 580.14282 132294-84-9 knapsack NA NA +FL5FAAGA0004 Kaempferol 3-lathyroside C26H28O15 580.14282 83144-68-7 knapsack NA NA +FL5FAAGL0003 Kaempferol 3-apiosyl-(1->2)-glucoside C26H28O15 580.14282 99816-59-8 knapsack NA NA +FL5FAAGL0004 Kaempferol 3-vicianoside C26H28O15 580.14282 110352-79-9 knapsack NA NA +FL5FAAGL0005 Leucoside;Kaempferol 3-sambubioside;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one C26H28O15 580.14282 27661-51-4 knapsack NA NA +FL5FAAGL0012 Kaempferol 3-glucoside-7-alpha-L-arabinopyranoside C26H28O15 580.14282 71539-82-7 knapsack NA NA +FL5FAAGL0013 Kaempferol 3-glucoside-7-xyloside C26H28O15 580.14282 61032-88-0 knapsack NA NA +FL5FAAGS0024 Kaempferol 3-xyloside-7-glucoside C26H28O15 580.14282 96751-10-9 knapsack NA NA +FL5FAAGS0034 Kaempferol 7-glucosyl-(1->4)-xyloside C26H28O15 580.14282 152950-73-7 knapsack NA NA +FL5FACGS0022 Quercetin 3-rhamnosyl-(1->2)-alpha-L-arabinopyranoside C26H28O15 580.14282 86749-52-2 knapsack NA NA +FL5FACGS0026 Quercetin 3-xylosyl-(1->2)-rhamnoside C26H28O15 580.14282 130866-55-6 knapsack NA NA +FL5FACGS0032 Quercetin 3-xyloside-7-rhamnoside C26H28O15 580.14282 102733-91-5 knapsack NA NA +FL5FACGS0033 Quercetin 3-rhamnoside-7-alpha-L-arabinopyranoside C26H28O15 580.14282 165673-60-9 knapsack NA NA +FL5FACGS0065 Artabotryside A;Quercetin 3-rhamnosyl-(1->2)-alpha-L-arabinofuranoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinofuranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C26H28O15 580.14282 188837-51-6 knapsack NA NA +FLNAACGS0002 5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-apiosyl-(1->6)-glucoside C26H28O15 580.14282 116329-90-9 knapsack NA NA +PJ006572 CNDDD C19H28N6O13S 580.1435 NA PeJP NA NA +FL1C3AGS0001 4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-p-coumaroyl)glucoside C30H28O12 580.15807 597550-50-0 knapsack NA NA +FL1C3AGS0002 4,2',3',4'-Tetrahydroxychalcone 4'-O-(6''-O-p-coumaroyl)glucoside C30H28O12 580.15807 186145-46-0 knapsack NA NA +FL1CAAGS0002 Chalconaringenin 2'-(6''-p-coumarylglucoside) C30H28O12 580.15807 27960-53-8 knapsack NA NA +FL2FAAGS0011 Prunin 6''-p-coumarate C30H28O12 580.15807 96686-70-3 knapsack NA NA +FL2FAAGS0012 Prunin 3''-p-coumarate C30H28O12 580.15807 84813-73-0 knapsack NA NA +FL2FAAGS0024 Naringenin 7-(2-p-Coumaroylglucoside);5,7,4'-Trihydroxyflavanone 7-(2-p-Coumaroylglucoside) C30H28O12 580.15807 172089-70-2 knapsack NA NA +FL4DACGS0030 Taxifolin 3-(3-cinnamoylrhamnoside) C30H28O12 580.15807 398473-13-7 knapsack NA NA +MJ082927 2',3',4,4'-Tetrahydroxychalcone, 4'-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C30H28O12 580.158076 NA MeJP NA NA +MJ082928 2',4,4',6'-Tetrahydroxychalcone; 4-O-(p-Hydroxycinnamoyl-?-D-glucopyranoside) C30H28O12 580.158076 NA MeJP NA NA +MJ082929 4',5,7-Trihydroxyflavanone, 7-O-[4-Hydroxy-E-cinnamoyl-(?4)-?-D-glucopyranoside] C30H28O12 580.158076 NA MeJP NA NA +MJ082930 4',5,7-Trihydroxyflavanone, 7-O-[4-Hydroxycinnamoyl-(?3)-?-D-glucopyranoside] C30H28O12 580.158076 NA MeJP NA NA +MJ082931 4',5,7-Trihydroxyflavanone, 7-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] C30H28O12 580.158076 NA MeJP NA NA +MJ082932 6-[1-(3,4-Dihydroxyphenyl)-2-hydroxy-3-(3,4,5-trihydroxyphenyl)propyl]-3,3',4',7,8-pentahydroxyflavan C30H28O12 580.158076 NA MeJP NA NA +MJ082933 Diphyllin; O-[2-Butenoyl-D-xylopyranoside] C30H28O12 580.158076 NA MeJP NA NA +MJ082934 Gambiriin A1 C30H28O12 580.158076 NA MeJP NA NA +MJ082935 Gambiriin A3 C30H28O12 580.158076 NA MeJP NA NA +MJ082936 Rhododactynaphin jc-2; 4?-Hydroxy C30H28O12 580.158076 NA MeJP NA NA +MJ082937 Xanthodactynaphin jc-1 C30H28O12 580.158076 NA MeJP NA NA +C17772 Gambiriin A1 C30H28O12 580.1581 NA KEGG NA NA +C17773 Gambiriin A2 C30H28O12 580.1581 NA KEGG NA NA +C17774 Gambiriin A3 C30H28O12 580.1581 NA KEGG NA NA +PJ006573 GSPCCD C20H32N6O10S2 580.1622 NA PeJP NA NA +C08928 Mulberrofuran C C34H28O9 580.1733 NA KEGG NA NA +MJ082938 Albafuran C C34H28O9 580.173332 NA MeJP NA NA +MJ082939 Mulberrofuran C34H28O9 580.173332 NA MeJP NA NA +MJ082940 Setomimycin C34H28O9 580.173332 NA MeJP NA NA +PJ006574 CCNNQ C19H32N8O9S2 580.1734 NA PeJP NA NA +HMDB02927 Naringin C27H32O14 580.179199 NA HMDB2010 NA NA +HMDB02927 Naringin C27H32O14 580.1792 http://www.hmdb.ca/metabolites/HMDB02927 HMDB NA NA +C09789 Naringin C27H32O14 580.1792 NA KEGG NA NA +C09793 Narirutin C27H32O14 580.1792 NA KEGG NA NA +C10307 Cascaroside A C27H32O14 580.1792 NA KEGG NA NA +C16423 Naringin chalcone C27H32O14 580.1792 NA KEGG NA NA +C16799 Cascaroside B C27H32O14 580.1792 NA KEGG NA NA +FL1C1AGS0005 Isoliquiritigenin 4,4'-diglucoside C27H32O14 580.1792 69262-36-8 knapsack NA NA +FL1CAAGS0007 Chalconaringenin 2'-rhamnosyl-(1->4)-glucoside C27H32O14 580.1792 81139-16-4 knapsack NA NA +FL2FAAGS0001 Naringin C27H32O14 580.1792 10236-47-2 knapsack NA NA +FL2FAAGS0002 Narirutin C27H32O14 580.1792 14259-46-2 knapsack NA NA +FL2FAAGS0006 Naringenin 5-O-neohesperidoside C27H32O14 580.1792 88795-39-5 knapsack NA NA +FL2FAAGS0017 5,7,4'-Trihydroxyflavanone 4'-O-rutinoside C27H32O14 580.1792 71481-41-9 knapsack NA NA +FL2FABGS0009 Isosakuranetin 7-alpha-L-arabinofuranosyl-(1->6)-glucoside;5,7-Dihydroxy-4'-methoxyflavanone 7-alpha-L-arabinofuranosyl-(1->6)-glucoside C27H32O14 580.1792 340816-07-1 knapsack NA NA +FL4D1AGS0002 Kushenol J C27H32O14 580.1792 101236-48-0 knapsack NA NA +HMDB02927 Naringin C27H32O14 580.1792 HMDB02927 PFEM_hmdb_metabocards_official NA NA +MJ082941 1,3,8,9-Tetrahydroxy-6-methylanthracene; O-Diglucoside C27H32O14 580.179205 NA MeJP NA NA +MJ082942 1,8-Dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone; O-Diglucoside C27H32O14 580.179205 NA MeJP NA NA +MJ082943 10-Hydroxyoleoside, 10-(4-Hydroxycinnamoyl)(E-), di-Me ester C27H32O14 580.179205 NA MeJP NA NA +MJ082944 10-Hydroxyoleoside, 10-(4-Hydroxycinnamoyl)(Z-), di-Me ester C27H32O14 580.179205 NA MeJP NA NA +MJ082945 2',4,4'-Trihydroxychalcone; 4'-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C27H32O14 580.179205 NA MeJP NA NA +MJ082946 2',4,4'-Trihydroxychalcone; 4,4'-Di-O-?-D-glucopyranoside C27H32O14 580.179205 NA MeJP NA NA +MJ082947 3',4',5,5',6,7,8-Heptahydroxyflavone; 3',4',5',6,7,8-Hexa-Me ether, 5-O-?-D-glucopyranoside C27H32O14 580.179205 NA MeJP NA NA +MJ082948 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4',5,6,7,8-Hexa-Me ether, 3-O-?-D-glucopyranoside C27H32O14 580.179205 NA MeJP NA NA +MJ082949 3,4',7-Trihydroxyflavanone, 4'-Me ether, 7-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O14 580.179205 NA MeJP NA NA +MJ082950 4',5,7-Trihydroxyflavanone, 4'-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C27H32O14 580.179205 NA MeJP NA NA +MJ082951 4',5,7-Trihydroxyflavanone, 5-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H32O14 580.179205 NA MeJP NA NA +MJ082952 4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H32O14 580.179205 NA MeJP NA NA +MJ082953 4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H32O14 580.179205 NA MeJP NA NA +MJ082954 4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O14 580.179205 NA MeJP NA NA +MJ082955 4',5-Dihydroxy-7-methoxyflavanone, 5-O-[?-D-Lyxopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O14 580.179205 NA MeJP NA NA +MJ082956 4',7-Dihydroxyflavanone, 4',7-Di-O-?-D-glucopyranoside C27H32O14 580.179205 NA MeJP NA NA +MJ082957 5,7-Dihydroxyflavanone, 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O14 580.179205 NA MeJP NA NA +MJ082958 8-Glucopyranosyl-4',5,7-trihydroxyflavanone, 2''-O-?-L-Rhamnopyranosyl C27H32O14 580.179205 NA MeJP NA NA +MJ082959 Aloin, 1''-Deoxy, 6-hydroxy, 8-O-?-D-glucopyranoside C27H32O14 580.179205 NA MeJP NA NA +MJ082960 Aloin, 8-O-?-D-Glucopyranoside C27H32O14 580.179205 NA MeJP NA NA +MJ082961 Aloin, 1''-Deoxy, 6-hydroxy, 8-O-?-D-glucopyranoside C27H32O14 580.179205 NA MeJP NA NA +MJ082962 Aloin, 8-O-?-D-Glucopyranoside C27H32O14 580.179205 NA MeJP NA NA +MJ082963 Castavinol; 5'-Methoxy C27H32O14 580.179205 NA MeJP NA NA +MJ082964 Quinquangulin; 6-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C27H32O14 580.179205 NA MeJP NA NA +MJ082965 Scandoside; 6-O-(4-Hydroxy-3-methoxycinnamoyl)(E-), Me ester C27H32O14 580.179205 NA MeJP NA NA +MJ082966 Scandoside; 6-O-(4-Hydroxy-3-methoxycinnamoyl)(Z-), Me ester C27H32O14 580.179205 NA MeJP NA NA +MetaCyc03905 narirutin [naringenin-7-O-rutinoside;] C27H32O14 580.179206 NA metacyc NA NA +MetaCyc03906 naringin [naringenin 7-O-(β-L-rhamnosyl-(1,2)-β-D-glucoside);] C27H32O14 580.179206 NA metacyc NA NA +PJ006575 SNDDM C20H32N6O12S 580.1799 NA PeJP NA NA +PJ006576 PCCQM C21H36N6O7S3 580.1808 NA PeJP NA NA +PJ006577 GSSCNN C19H32N8O11S 580.1911 NA PeJP NA NA +PJ006578 GGGSSCN C19H32N8O11S 580.1912 NA PeJP NA NA +PJ006579 PCCCR C20H36N8O6S3 580.192 NA PeJP NA NA +PJ006580 GSCEW C24H32N6O9S 580.1952 NA PeJP NA NA +PJ006581 GSSSDE C20H32N6O14 580.1977 NA PeJP NA NA +PJ006582 GNEMM C21H36N6O9S2 580.1985 NA PeJP NA NA +PJ006583 GGGEMM C21H36N6O9S2 580.1986 NA PeJP NA NA +MJ082967 Renieramycin A; 1-Oxo C30H32N2O10 580.205695 NA MeJP NA NA +PJ006584 GCDMR C20H36N8O8S2 580.2098 NA PeJP NA NA +PJ006585 SCWW C28H32N6O6S 580.2104 NA PeJP NA NA +PJ006586 SSSDW C24H32N6O11 580.2129 NA PeJP NA NA +PJ006587 NMMW C25H36N6O6S2 580.2138 NA PeJP NA NA +MJ082968 8,17-Epoxy-2,3,4,9,11,12-hexahydroxy-5,13-briaradien-18,7-olide, 2,3,4,9-Tetra-Ac C28H36O13 580.215591 NA MeJP NA NA +MJ082969 8,17-Epoxy-2,3,9,13,14-pentahydroxy-5,11-briaradien-18,7-olide, 11?,12?-Epoxide, 2,3,9,14-tetra-Ac C28H36O13 580.215591 NA MeJP NA NA +MJ082970 Neoolivil; 4-O-?-D-Glucopyranoside, 9-Ac C28H36O13 580.215591 NA MeJP NA NA +MJ082971 Syringaresinol, 7-Epimer, 4-O-?-D-glucopyranoside C28H36O13 580.215591 NA MeJP NA NA +MJ082972 Syringaresinol, Mono-O-?-D-glucopyranoside C28H36O13 580.215591 NA MeJP NA NA +MJ082973 Syringaresinol, 4-O-?-D-Glucopyranoside C28H36O13 580.215591 NA MeJP NA NA +C10890 (+)-Syringaresinol O-beta-D-glucoside C28H36O13 580.2156 NA KEGG NA NA +PJ006588 SSQEM C21H36N6O11S 580.2163 NA PeJP NA NA +PJ006589 PCCKM C22H40N6O6S3 580.2172 NA PeJP NA NA +PJ006590 GCQHH C22H32N10O7S 580.2176 NA PeJP NA NA +PJ006591 GGACHH C22H32N10O7S 580.2177 NA PeJP NA NA +MJ082974 Maytansinol; 15R-Hydroxy C28H37ClN2O9 580.218758 NA MeJP NA NA +MJ082975 Maytansinol; 15S-Hydroxy C28H37ClN2O9 580.218758 NA MeJP NA NA +PJ006592 GNNNY C23H32N8O10 580.2242 NA PeJP NA NA +PJ006593 SSCER C20H36N8O10S 580.2275 NA PeJP NA NA +PJ006594 NDFW C28H32N6O8 580.2282 NA PeJP NA NA +MJ082976 Antibiotic NF 00634-4 C32H36O10 580.230847 NA MeJP NA NA +MJ082977 Cardinalin 1 C32H36O10 580.230847 NA MeJP NA NA +MJ082978 Cytonic acid A C32H36O10 580.230847 NA MeJP NA NA +MJ082979 Cytonic acid B C32H36O10 580.230847 NA MeJP NA NA +MJ082980 Schizantherin L; O-Angeloyl C32H36O10 580.230847 NA MeJP NA NA +MJ082981 Schizantherin L; O-Tigloyl C32H36O10 580.230847 NA MeJP NA NA +MJ082982 Thielavin C C32H36O10 580.230847 NA MeJP NA NA +PJ006595 GSTMW C25H36N6O8S 580.2316 NA PeJP NA NA +MetaCyc03907 biliverdin [dehydrobilirubin;uteroverdine;biliverdine;biliverdin-IX-α;] C33H32N4O6 580.232185 NA metacyc NA NA +PJ006596 SSSSVD C21H36N6O13 580.234 NA PeJP NA NA +PJ006597 GSSTTE C21H36N6O13 580.2341 NA PeJP NA NA +PJ006598 GDKMM C22H40N6O8S2 580.2349 NA PeJP NA NA +PJ006599 SSNHH C22H32N10O9 580.2354 NA PeJP NA NA +MJ082983 1,1'-[[2,4-Bis(6-methoxy-1,3-benzodioxol-5-yl)-1,3-cyclobutanediyl]dicarbonyl]bispyrrolidine; 3'-Methoxy C31H36N2O9 580.24208 NA MeJP NA NA +PJ006600 PPCQH C24H36N8O7S 580.2428 NA PeJP NA NA +PJ006601 GSMMR C21H40N8O7S2 580.2462 NA PeJP NA NA +PJ006602 MHFF C29H36N6O5S 580.2468 NA PeJP NA NA +PJ006603 SSTTW C25H36N6O10 580.2493 NA PeJP NA NA +MJ082984 Hydrangenoside E C29H40O12 580.251976 NA MeJP NA NA +PJ006604 SSKEM C22H40N6O10S 580.2527 NA PeJP NA NA +PJ006605 GCKHH C23H36N10O6S 580.254 NA PeJP NA NA +C09418 Daphnoline C35H36N2O6 580.2573 NA KEGG NA NA +MJ082985 7-O-Demethylpeinamine C35H36N2O6 580.257336 NA MeJP NA NA +MJ082986 Chondocurine, 2'-N-De-Me C35H36N2O6 580.257336 NA MeJP NA NA +MJ082987 Curine, O6'-De-Me C35H36N2O6 580.257336 NA MeJP NA NA +MJ082988 Daphnoline C35H36N2O6 580.257336 NA MeJP NA NA +MJ082989 Thalrugosine; Di-N-De-Me C35H36N2O6 580.257336 NA MeJP NA NA +PJ006606 NERY C24H36N8O9 580.2605 NA PeJP NA NA +PJ006607 GGERY C24H36N8O9 580.2606 NA PeJP NA NA +PJ006608 SSTMR C21H40N8O9S 580.2639 NA PeJP NA NA +PJ006609 VNYW C29H36N6O7 580.2646 NA PeJP NA NA +MJ082990 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-Cinnamoyl(E-), 2,13-di-Ac C33H40O9 580.267232 NA MeJP NA NA +MJ082991 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-Cinnamoyl, 10,13-di-Ac C33H40O9 580.267232 NA MeJP NA NA +MJ082992 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-Cinnamoyl, 7,13-di-Ac C33H40O9 580.267232 NA MeJP NA NA +MJ082993 2,5,7,9,10-Pentahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl, 2,10-di-Ac C33H40O9 580.267232 NA MeJP NA NA +MJ082994 4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 13-Ketone, 5-cinnamoyl, 2,10-di-Ac C33H40O9 580.267232 NA MeJP NA NA +MJ082995 4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 13-Ketone, 5-cinnamoyl, 2,9-di-Ac C33H40O9 580.267232 NA MeJP NA NA +PJ006610 APCKY C26H40N6O7S 580.2679 NA PeJP NA NA +PJ006611 GGGLMF C26H40N6O7S 580.268 NA PeJP NA NA +PJ006612 SSSSTL C22H40N6O12 580.2704 NA PeJP NA NA +PJ006613 ATKMM C23H44N6O7S2 580.2713 NA PeJP NA NA +PJ006614 GPDHR C23H36N10O8 580.2718 NA PeJP NA NA +MJ082996 Cholestane-3,4,21-triol, 3,21-Di-O-sulfate C27H48O9S2 580.273974 NA MeJP NA NA +PJ006615 GRYW C28H36N8O6 580.2758 NA PeJP NA NA +MJ082997 Pithomycolide; Valine analogue C32H40N2O8 580.278466 NA MeJP NA NA +PJ006616 QMFR C25H40N8O6S 580.2792 NA PeJP NA NA +MJ082998 14-Angeloyloxy-12-(cacalohastin-14-yl)cacalohastine C37H40O6 580.282489 NA MeJP NA NA +PJ006617 AAKEY C26H40N6O9 580.2857 NA PeJP NA NA +MJ082999 1,3,4,5,8,10,11-Heptahydroxy-7(14)-bisabolen-2-one; 1,4,8-Triangeloyl C30H44O11 580.288362 NA MeJP NA NA +MJ083000 3,5,14,19-Tetrahydroxybufa-20,22-dienolide, 3-O-?-Glucoside C30H44O11 580.288362 NA MeJP NA NA +MJ083001 6,13-Epoxy-7-eunicellene-2,3,4,9,12-pentol, Penta-Ac C30H44O11 580.288362 NA MeJP NA NA +MJ083002 6,13-Epoxy-8(19)-eunicellene-2,3,4,9,12-pentol, Penta-Ac C30H44O11 580.288362 NA MeJP NA NA +MJ083003 Antiarigenin; 3-O-(2-O-Methyl-?-D-fucopyranoside) C30H44O11 580.288362 NA MeJP NA NA +MJ083004 Antiarigenin; 3-O-(6-Deoxy-2-O-methyl-?-D-allopyranoside) C30H44O11 580.288362 NA MeJP NA NA +MJ083005 Antiarigenin; 3-O-(6-Deoxy-2-O-methyl-?-D-glucopyranoside) C30H44O11 580.288362 NA MeJP NA NA +MJ083006 Antiarigenin; 3-O-(6-Deoxy-2-O-methyl-?-D-gulopyranoside) C30H44O11 580.288362 NA MeJP NA NA +PJ006618 TTTKM C23H44N6O9S 580.2891 NA PeJP NA NA +PJ006619 CFRR C24H40N10O5S 580.2904 NA PeJP NA NA +PJ006620 DKRY C25H40N8O8 580.2969 NA PeJP NA NA +PJ006621 TKFW C30H40N6O6 580.301 NA PeJP NA NA +PJ006622 GVKMF C27H44N6O6S 580.3043 NA PeJP NA NA +MJ083007 Halitulin C35H40N4O4 580.304955 NA MeJP NA NA +PJ006623 SRRY C24H40N10O7 580.3082 NA PeJP NA NA +2862 NA LVVYPWTQR 580.31 MH2+ Inhouse_peptide NA peptide +3402 ACE inhibitor LVVYPWTQR 580.31 MH2+ Inhouse_peptide NA peptide +MJ083008 Hordatine B C29H40N8O5 580.312166 NA MeJP NA NA +C08308 Hordatine B C29H40N8O5 580.3122 NA KEGG NA NA +PJ006624 KMFR C26H44N8O5S 580.3156 NA PeJP NA NA +PJ006625 GTLKY C27H44N6O8 580.3221 NA PeJP NA NA +MJ083009 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-(2,3-Di-O-methyl-?-D-glucopyranoside) C31H48O10 580.324747 NA MeJP NA NA +MJ083010 3,14,19-Trihydroxycard-20(22)-enolide, 3-O-(2,3-Di-O-methyl-?-D-glucoside) C31H48O10 580.324747 NA MeJP NA NA +MJ083011 3,5,7,8,9,15-Hexahydroxy-6(17),11-jatrophadien-14-one, 8-(2-Methylbutanoyl), 7-(2-methylpropanoyl), 3-Ac C31H48O10 580.324747 NA MeJP NA NA +MJ083012 Strevertenes; Strevertene A C31H48O10 580.324747 NA MeJP NA NA +PJ006626 SPLKH C26H44N8O7 580.3333 NA PeJP NA NA +MJ083013 Antibiotic SB 291071; Homologue (R = -C13H25) C30H48N2O9 580.335981 NA MeJP NA NA +MJ083014 Bacillaene C35H48O7 580.340003 NA MeJP NA NA +MJ083015 Schweinfurthin A; 7''-Hydroxy, 6'',7''-dihydro, 5-Me ether C35H48O7 580.340003 NA MeJP NA NA +MJ083016 Manzamine A, 6-Hydroxy, 31?,34?-epoxide, 32,33-dihydro C36H44N4O3 580.341341 NA MeJP NA NA +MJ083017 Manzamine A, 8-Hydroxy, 31-oxo, 32,33-dihydro C36H44N4O3 580.341341 NA MeJP NA NA +PJ006627 GVLHR C25H44N10O6 580.3446 NA PeJP NA NA +C04265 alpha,alpha'-Trehalose 6-palmitate C28H52O12 580.3459 NA KEGG NA NA +C04266 alpha-D-Glucosyllipopolysaccharide C28H52O12 580.3459 NA KEGG NA NA +MJ083018 Oscillaginin A; Dechloro C29H48N4O8 580.347214 NA MeJP NA NA +MJ083019 FLRF amide C30H44N8O4 580.348551 NA MeJP NA NA +PJ006628 LHRR C24H44N12O5 580.3558 NA PeJP NA NA +PJ006629 AAPPLL C28H48N6O7 580.3585 NA PeJP NA NA +C08893 Convallasaponin A C32H52O9 580.3611 NA KEGG NA NA +C08916 Tokoronin C32H52O9 580.3611 NA KEGG NA NA +MJ083020 Fusicoccin D; 19-Deoxy C32H52O9 580.361133 NA MeJP NA NA +MJ083021 Spirostane-1,2,3-triol, 1-O-?-L-Arabinopyranoside C32H52O9 580.361133 NA MeJP NA NA +MJ083022 Spirostane-1,3,5-triol, 3-O-?-L-Arabinoside C32H52O9 580.361133 NA MeJP NA NA +MJ083023 Spirostane-2,3,11-triol, 11-O-?-L-Arabinopyranoside C32H52O9 580.361133 NA MeJP NA NA +PJ006630 PPVLR C27H48N8O6 580.3697 NA PeJP NA NA +MJ083024 2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaen-1-ol; O-D-Glucopyranoside C36H52O6 580.376389 NA MeJP NA NA +MJ083025 Deacylantibiotic NF 00659 A; 12-Deoxy, 3-(6-methyl-2,4-octadienoyl)(E,E) C36H52O6 580.376389 NA MeJP NA NA +MJ083026 Homoegonol; Hexadecanoyl C36H52O6 580.376389 NA MeJP NA NA +MJ083027 Hugonone A C36H52O6 580.376389 NA MeJP NA NA +C15967 Phoenicoxanthin C40H52O3 580.3916 NA KEGG NA NA +MJ083028 2,3-Didehydro-3,3'-dihydroxy-?,?-caroten-4-one C40H52O3 580.391645 NA MeJP NA NA +MJ083029 4'-Hydroxy-3-oxoechinenone C40H52O3 580.391645 NA MeJP NA NA +MJ083030 7,7',8,8'-Tetradehydro-?,?-carotene-3,3',4-triol C40H52O3 580.391645 NA MeJP NA NA +MJ083031 ?-Cryptoeutreptiellanone C40H52O3 580.391645 NA MeJP NA NA +MJ083032 ?-Doradecin C40H52O3 580.391645 NA MeJP NA NA +MJ083033 Adonirubin C40H52O3 580.391645 NA MeJP NA NA +MJ083034 Isozeaxanthin; Diketone, 2-hydroxy C40H52O3 580.391645 NA MeJP NA NA +MJ083035 Loniceraxanthin C40H52O3 580.391645 NA MeJP NA NA +MJ083036 Pectenol; 4-Ketone C40H52O3 580.391645 NA MeJP NA NA +MJ083037 Trikentriorhodin C40H52O3 580.391645 NA MeJP NA NA +MJ083038 ?-Doradexanthin; 3'-Ketone C40H52O3 580.391645 NA MeJP NA NA +MJ083039 Cholesta-5,24-diene-3,11,16,22-tetrol, 24,25-Dihydro-16-O-?-L-rhamnopyranoside C33H56O8 580.397518 NA MeJP NA NA +MJ083040 Stigmast-5-ene-3,7-diol, 3-O-(4-Hydroxy-3-methoxybenzoyl) C37H56O5 580.412774 NA MeJP NA NA +MJ083041 Dagapamil C36H56N2O4 580.424008 NA MeJP NA NA +MJ083042 Rhodopinol; 3,4-Didehydro, 20-aldehyde, 1-Me ether C41H56O2 580.428031 NA MeJP NA NA +MJ083043 Sorangiolide A C34H60O7 580.433904 NA MeJP NA NA +MJ083044 Annoreticuin; 4-Deoxy C35H64O6 580.470289 NA MeJP NA NA +MJ083045 Giganin C35H64O6 580.470289 NA MeJP NA NA +MJ083046 Gigantetrocin A; 4-Deoxy C35H64O6 580.470289 NA MeJP NA NA +MJ083047 Goniothalamicin; 4-Deoxy C35H64O6 580.470289 NA MeJP NA NA +MJ083048 Murisolin C35H64O6 580.470289 NA MeJP NA NA +MJ083049 onacin; 4-Deoxy C35H64O6 580.470289 NA MeJP NA NA +C08488 Giganin C35H64O6 580.4703 NA KEGG NA NA +MJ083050 Hexahydro-4,7-dimethyl-3-(stigmast-5-en-3-yloxy)-cyclopenta[c]pyran-1(3H)-one C39H64O3 580.485545 NA MeJP NA NA +HMDB07072 DG(15:0/18:1(11Z)/0:0) C36H68O5 580.506653 NA HMDB2010 NA NA +HMDB07073 DG(15:0/18:1(9Z)/0:0) C36H68O5 580.506653 NA HMDB2010 NA NA +HMDB07184 DG(18:1(11Z)/15:0/0:0) C36H68O5 580.506653 NA HMDB2010 NA NA +HMDB07213 DG(18:1(9Z)/15:0/0:0) C36H68O5 580.506653 NA HMDB2010 NA NA +MJ083051 12-Oleanen-3-ol, O-Decanoyl C40H68O2 580.521931 NA MeJP NA NA +MJ083052 2-Phyten-1-ol, 5,8,11,14,17-Eicosapentaenoyl(all-Z) C40H68O2 580.521931 NA MeJP NA NA +C13862 1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol C37H72O4 580.5431 NA KEGG NA NA +3605 heparin-binding peptide APRKNVAWCT 580.77895 MH2+ Inhouse_peptide NA peptide +3226 bradykinin derivative KRPAGFSPFR 580.813 MH2+ Inhouse_peptide NA peptide +MJ083053 Nakamuric acid C20H21Br2N7O4 581.002177 NA MeJP NA NA +MetaCyc03908 watasenia luciferin [] C26H19N3O9S2 581.056271 NA metacyc NA NA +MJ083054 Lamellarin H; 5,6-Dihydro, 8,13,21-tri-Me ether, 20-sulfate C28H23NO11S 581.099181 NA MeJP NA NA +MJ083055 Lamellarin H; 5,6-Dihydro, 9,13,20-tri-Me ether, 8-sulfate C28H23NO11S 581.099181 NA MeJP NA NA +MJ083056 Lamellarin H; 5,6-Dihydro, 9,13,21-tri-Me ether, 20-sulfate C28H23NO11S 581.099181 NA MeJP NA NA +MJ083057 Technetium teboroxime C19H29BClN6O6Tc 581.100231 NA MeJP NA NA +PJ006631 CDDDD C19H27N5O14S 581.1276 NA PeJP NA NA +FL7AACGA0002 Cyanidin 3-lathyroside C26H29O15 581.15064 31073-32-2 knapsack NA NA +FL7AACGL0005 Sambicyanin;Cyanidin 3-xyloglucoside;Cyanidine 3-sambubioside C26H29O15 581.15064 33012-73-6 knapsack NA NA +FL7AACGS0005 Cyanidin 3-arabinoside-5-glucoside C26H29O15 581.15064 - knapsack NA NA +PJ006632 CCNNE C19H31N7O10S2 581.1574 NA PeJP NA NA +PJ006633 SDDDM C20H31N5O13S 581.1639 NA PeJP NA NA +PJ006634 PCCEM C21H35N5O8S3 581.1648 NA PeJP NA NA +PJ006635 GCCNW C23H31N7O7S2 581.1727 NA PeJP NA NA +PJ006636 GSSCND C19H31N7O12S 581.1752 NA PeJP NA NA +PJ006637 GDEMM C21H35N5O10S2 581.1826 NA PeJP NA NA +MJ083058 Amidepsine B; 2,2'-Di-Me ether C30H31NO11 581.18971 NA MeJP NA NA +MJ083059 Amidepsine C C30H31NO11 581.18971 NA MeJP NA NA +MJ083060 Simmondsin; Di-O-de-Me, 2-O-E-cinnamoyl, 4-O-benzoyl C30H31NO11 581.18971 NA MeJP NA NA +MJ083061 Simmondsin; Di-O-de-Me, 3-O-E-cinnamoyl, 4-O-benzoyl C30H31NO11 581.18971 NA MeJP NA NA +PJ006638 SCNQM C20H35N7O9S2 581.1938 NA PeJP NA NA +C15631 GW 3965 C33H31ClF3NO3 581.1945 NA KEGG NA NA +PJ006639 GDDEF C24H31N5O12 581.1969 NA PeJP NA NA +PJ006640 ADDDF C24H31N5O12 581.197 NA PeJP NA NA +PJ006641 DMMW C25H35N5O7S2 581.1978 NA PeJP NA NA +PJ006642 SSEEM C21H35N5O12S 581.2003 NA PeJP NA NA +PJ006643 PTCMM C22H39N5O7S3 581.2012 NA PeJP NA NA +PJ006644 GCEHH C22H31N9O8S 581.2017 NA PeJP NA NA +PJ006645 SCCNR C19H35N9O8S2 581.205 NA PeJP NA NA +PJ006646 GNNDY C23H31N7O11 581.2082 NA PeJP NA NA +PJ006647 GSSSNM C20H35N7O11S 581.2115 NA PeJP NA NA +PJ006648 GGGSSSM C20H35N7O11S 581.2116 NA PeJP NA NA +PJ006649 DDFW C28H31N5O9 581.2122 NA PeJP NA NA +PJ006650 GPDMY C25H35N5O9S 581.2156 NA PeJP NA NA +PJ006651 CHHW C26H31N9O5S 581.2169 NA PeJP NA NA +PJ006652 ATEMM C22H39N5O9S2 581.2189 NA PeJP NA NA +PJ006653 SSDHH C22H31N9O10 581.2194 NA PeJP NA NA +MJ083062 8-(4-Hydroxybenzyl)-2-methoxy-3,10,11-berbintriol, O10-?-Glucopyranoside C31H35NO10 581.226096 NA MeJP NA NA +MJ083063 8-(4-Hydroxybenzyl)-2-methoxy-3,10,11-berbintriol; 8?-form, O10-?-Glucopyranoside C31H35NO10 581.226096 NA MeJP NA NA +MJ083064 8-(4-Hydroxybenzyl)-2-methoxy-3,9,10-berbintriol, O9-?-Glucopyranoside C31H35NO10 581.226096 NA MeJP NA NA +MJ083065 8-(4-Hydroxybenzyl)-2-methoxy-3,9,10-berbintriol; 8?-form, O10-?-Glucopyranoside C31H35NO10 581.226096 NA MeJP NA NA +MJ083066 8-(4-Hydroxybenzyl)-2-methoxy-3,9,10-berbintriol; 8?-form, O4'-?-Glucopyranoside C31H35NO10 581.226096 NA MeJP NA NA +MJ083067 8-(4-Hydroxybenzyl)-3-methoxy-2,9,10-berbintriol; 9-Deoxy, 11-hydroxy, O10-?-glucopyranoside C31H35NO10 581.226096 NA MeJP NA NA +MJ083068 Pyridomacrolidin C31H35NO10 581.226096 NA MeJP NA NA +MJ083069 Ravidomycin; 1'',2''-Dihydro, 1''-hydroxy C31H35NO10 581.226096 NA MeJP NA NA +PJ006654 GNNMF C24H35N7O8S 581.2268 NA PeJP NA NA +PJ006655 SSSSSQ C20H35N7O13 581.2293 NA PeJP NA NA +PJ006656 SCNKM C21H39N7O8S2 581.2302 NA PeJP NA NA +PJ006657 AAEEY C25H35N5O11 581.2333 NA PeJP NA NA +PJ006658 GPMMF C26H39N5O6S2 581.2342 NA PeJP NA NA +PJ006659 TTTEM C22H39N5O11S 581.2367 NA PeJP NA NA +PJ006660 GLMMM C23H43N5O6S3 581.2376 NA PeJP NA NA +PJ006661 GTMHH C23H35N9O7S 581.238 NA PeJP NA NA +PJ006662 DERY C24H35N7O10 581.2446 NA PeJP NA NA +PJ006663 GSSTCK C21H39N7O10S 581.2479 NA PeJP NA NA +PJ006664 VDYW C29H35N5O8 581.2486 NA PeJP NA NA +PJ006665 APTMY C26H39N5O8S 581.252 NA PeJP NA NA +PJ006666 STLMM C23H43N5O8S2 581.2553 NA PeJP NA NA +PJ006667 STTHH C23H35N9O9 581.2558 NA PeJP NA NA +MJ083070 Trideacetylpyripyropene A; 11-Deoxy, 7-propanoyl, 3,19-di-Ac C32H39NO9 581.262481 NA MeJP NA NA +PJ006668 EMFR C25H39N7O7S 581.2632 NA PeJP NA NA +C07544 Ergotamine C33H35N5O5 581.2638 NA KEGG NA NA +MJ083071 Ergotamine C33H35N5O5 581.263819 NA MeJP NA NA +MJ083072 Streptomycin C21H39N7O12 581.265669 NA MeJP NA NA +MetaCyc03909 streptomycin [] C21H39N7O12 581.26567 57-92-1 metacyc NA NA +C00413 Streptomycin C21H39N7O12 581.2657 NA KEGG NA NA +PJ006669 SSSSSK C21H39N7O12 581.2657 NA PeJP NA NA +PJ006670 TCCKK C22H43N7O7S2 581.2666 NA PeJP NA NA +PJ006671 VMFW C30H39N5O5S 581.2672 NA PeJP NA NA +PJ006672 GTLEY C26H39N5O10 581.2697 NA PeJP NA NA +PJ006673 AAHHF C27H35N9O6 581.2711 NA PeJP NA NA +PJ006674 GSQKY C25H39N7O9 581.2809 NA PeJP NA NA +PJ006675 GGGTKY C25H39N7O9 581.281 NA PeJP NA NA +PJ006676 TLYW C30H39N5O7 581.285 NA PeJP NA NA +PJ006677 GVLMY C27H43N5O7S 581.2883 NA PeJP NA NA +C02856 N3'-Acetylapramycin C23H43N5O12 581.2908 NA KEGG NA NA +C02857 N3'-Acetylkanamycin C20H35N3O11R2 581.2908 NA KEGG NA NA +C02858 N5-Acyl-L-ornithine C6H11N2O3R 581.2908 NA KEGG NA NA +C02860 N6-Alkylaminopurine C5H4N5R 581.2908 NA KEGG NA NA +PJ006678 SPNKH C24H39N9O8 581.2922 NA PeJP NA NA +PJ006679 PFRY C29H39N7O6 581.2962 NA PeJP NA NA +PJ006680 LMRY C26H43N7O6S 581.2996 NA PeJP NA NA +PJ006681 AAQHR C23H39N11O7 581.3034 NA PeJP NA NA +PJ006682 SSLLY C27H43N5O9 581.3061 NA PeJP NA NA +PJ006683 NHRR C22H39N13O6 581.3147 NA PeJP NA NA +PJ006684 GSKKY C26H43N7O8 581.3173 NA PeJP NA NA +PJ006685 GGAAPPL C26H43N7O8 581.3174 NA PeJP NA NA +PJ006686 GVLFF C31H43N5O6 581.3214 NA PeJP NA NA +PJ006687 PPVNR C25H43N9O7 581.3286 NA PeJP NA NA +PJ006688 LFFR C30H43N7O5 581.3326 NA PeJP NA NA +PJ006689 GPPRR C24H43N11O6 581.3398 NA PeJP NA NA +PJ006690 SLLLH C27H47N7O7 581.3537 NA PeJP NA NA +MJ083073 Repromicin; 23-Hydroxy C31H51NO9 581.356382 NA MeJP NA NA +MJ083074 Rosamicin C31H51NO9 581.356382 NA MeJP NA NA +MJ083075 Tylonolide; 23-Deoxy, 5-O-(3,6-dideoxy-3-dimethylamino-?-D-glucopyranoside) C31H51NO9 581.356382 NA MeJP NA NA +MJ083076 tert-Butyl [1-[[1-methyl-2-phenyl-1-[(7-ureidoheptyl)carbamoyl]ethyl]carbamoyl]-2-phenylethyl]carbamate C32H47N5O5 581.357719 NA MeJP NA NA +PJ006691 GLKKH C26H47N9O6 581.365 NA PeJP NA NA +EUR897 Lyso PE 22:1 [M+FA-H]- C27H54NO7P 581.368672 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR897 Lyso PE 22:1 [M+FA-H]- C27H54NO7P 581.368672 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR897 Lyso PE 22:1 [M+FA-H]- C27H54NO7P 581.368672 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR897 Lyso PE 22:1 [M+FA-H]- C27H54NO7P 581.368672 masses lipides attendues Inhousejuil11 NA NA +EUR530 18 :1 Lyso PC F5 F5 581.369225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR530 18 :1 Lyso PC F5 NA 581.369225 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR530 18 :1 Lyso PC F5 F5 581.369225 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR530 18 :1 Lyso PC F5 NA 581.369225 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR530 18 :1 Lyso PC F5 F5 581.369225 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR530 18 :1 Lyso PC F5 NA 581.369225 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR530 18 :1 Lyso PC F5 F5 581.369225 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR530 18 :1 Lyso PC F5 F5 581.369225 standards wishlist analysés sur QTOF HMDB NA NA +EUR530 18 :1 Lyso PC F5 F5 581.369225 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR530 18 :1 Lyso PC F5 NA 581.369225 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR530 18 :1 Lyso PC F5 F5 581.369225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR530 18 :1 Lyso PC F5 F5 581.369225 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR668 Lyso PC 18:1 [M-H+acetate]- C26H52NO7P 581.369242 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR668 Lyso PC 18:1 [M-H+acetate]- C26H52NO7P 581.369242 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR668 Lyso PC 18:1 [M-H+acetate]- C26H52NO7P 581.369242 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR668 Lyso PC 18:1 [M-H+acetate]- C26H52NO7P 581.369242 masses lipides attendues Inhousejuil11 NA NA +PJ006692 PPLKK C28H51N7O6 581.3901 NA PeJP NA NA +MJ083077 Myxovirescin G1; 4-Demethyl, 7-oxo C32H55NO8 581.392767 NA MeJP NA NA +MJ083078 Heinsiagenin A; 18-Hydroxy C36H55NO5 581.408023 NA MeJP NA NA +MJ083079 Myxovirescin G1 C33H59NO7 581.429153 NA MeJP NA NA +MJ083080 Symbioramide C36H71NO4 581.538309 NA MeJP NA NA +C12040 Telomestatin C26H14N8O7S 582.0706 NA KEGG NA NA +MJ083081 Telomestatin C26H14N8O7S 582.070615 NA MeJP NA NA +MJ083082 Amentoflavone; 5'''-Methoxy, 4'''-Me ether C32H22O11 582.116211 NA MeJP NA NA +MJ083083 Floribundone 2; 10-Oxo, 1'''-hydroxy, atropisomer C32H22O11 582.116211 NA MeJP NA NA +MJ083084 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[Xylosyl-(1??)-xyloside] C25H26O16 582.122084 NA MeJP NA NA +MJ083085 6-O-?-D-Xylopyranosyl-D-glucose; ?-Pyranose-form, 1-Chloro, hexa-Ac C23H31ClO15 582.135148 NA MeJP NA NA +FL3FAACS0064 2''-O-Vanilloylvitexin C29H26O13 582.13734 861691-31-8 knapsack NA NA +FL3FACCS0060 Perfoliatumin B;Isoorientin 6''-O-p-methoxybenzoate C29H26O13 582.13734 325772-32-5 knapsack NA NA +PJ006693 CCNDE C19H30N6O11S2 582.1414 NA PeJP NA NA +MJ083086 Amentoflavone; 2'',3''-Dihydro, 4',4''',7''-tri-Me ether C33H26O10 582.152597 NA MeJP NA NA +MJ083087 Austroviridin A C33H26O10 582.152597 NA MeJP NA NA +MJ083088 Carbonarin A C33H26O10 582.152597 NA MeJP NA NA +MJ083089 Carbonarin B C33H26O10 582.152597 NA MeJP NA NA +MJ083090 Robustaflavone; 2R,3-Dihydro, 4''',7,7''-tri-Me ether C33H26O10 582.152597 NA MeJP NA NA +MJ083091 Santalin A C33H26O10 582.152597 NA MeJP NA NA +PJ006694 GCCDW C23H30N6O8S2 582.1567 NA PeJP NA NA +MJ083092 1,2,6,8-Tetrahydroxyxanthone; 1,6-Di-Me ether, 2-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C26H30O15 582.15847 NA MeJP NA NA +MJ083093 1,2,6,8-Tetrahydroxyxanthone; 1,6-Di-Me ether, 8-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C26H30O15 582.15847 NA MeJP NA NA +MJ083094 1,2,6,8-Tetrahydroxyxanthone; 2,6-Di-Me ether, 8-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C26H30O15 582.15847 NA MeJP NA NA +MJ083095 1,2,6,8-Tetrahydroxyxanthone; 2,8-Di-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C26H30O15 582.15847 NA MeJP NA NA +MJ083096 1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 2-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C26H30O15 582.15847 NA MeJP NA NA +MJ083097 1,3,4,7-Tetrahydroxyxanthone; 4,7-Di-Me ether, 3-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C26H30O15 582.15847 NA MeJP NA NA +MJ083098 10-Hydroxyoleoside, 10-(3,4-Dihydroxycinnamoyl)(E-), 7-Me ester C26H30O15 582.15847 NA MeJP NA NA +MJ083099 2',3,3',4,4'-Pentahydroxychalcone, 4'-O-[?-L-Arabinofuranosyl-(1?4)-?-D-glucopyranoside] C26H30O15 582.15847 NA MeJP NA NA +MJ083100 3',4',5,7-Tetrahydroxyflavanone, 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C26H30O15 582.15847 NA MeJP NA NA +MJ083101 3,4',5,7-Tetrahydroxyflavanone, 4'-O-[?-D-Glucopyranosyl-(1?6)-?-D-xylopyranoside] C26H30O15 582.15847 NA MeJP NA NA +MJ083102 5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 6-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C26H30O15 582.15847 NA MeJP NA NA +FL1C3CGS0011 Okanin 4'-alpha-L-arabinofuranosyl-(1->4)-glucoside C26H30O15 582.15847 77587-43-0 knapsack NA NA +FL2FACGS0016 5,7,3',4'-Tetrahydroxyflavanone 7-alpha-L-arabinofuranosyl-(1->6)-glucoside C26H30O15 582.15847 340816-09-3 knapsack NA NA +C11655 Asperuloside tetraacetate C26H30O15 582.1585 NA KEGG NA NA +PJ006695 GSSCDD C19H30N6O13S 582.1592 NA PeJP NA NA +PJ006696 GPTCCC C20H34N6O8S3 582.1601 NA PeJP NA NA +MJ083103 Antibiotic B 90063 C28H30N4O6S2 582.160676 NA MeJP NA NA +FL63ACGS0003 Epicatechin 3-O-(2-trans-cinnamoyl-beta-D-allopyranoside) C30H30O12 582.17372 98752-08-0 knapsack NA NA +FL63ACGS0004 Epicatechin 3-O-(3-trans-cinnamoyl-beta-D-allopyranoside) C30H30O12 582.17372 98752-09-1 knapsack NA NA +MJ083104 3,3',4',5,7-Pentahydroxyflavan, 3-O-[2-O-E-Cinnamoyl-?-D-allopyranoside] C30H30O12 582.173726 NA MeJP NA NA +MJ083105 3,3',4',5,7-Pentahydroxyflavan, 3-O-[3-O-E-Cinnamoyl-?-D-allopyranoside] C30H30O12 582.173726 NA MeJP NA NA +PJ006697 SCNEM C20H34N6O10S2 582.1778 NA PeJP NA NA +MJ083106 15-Bromo-9(11)-parguerene-2,7,16,19-tetrol, Tetra-Ac C28H39BrO8 582.18283 NA MeJP NA NA +MJ083107 Microcyclamide C26H30N8O4S2 582.183142 NA MeJP NA NA +MJ083108 6-Chloro-4,8-epoxy-2,3,9,14-tetrahydroxy-5(16),11(20)-briaradien-18,7-olide; Tetra-Ac C28H35ClO11 582.186789 NA MeJP NA NA +MJ083109 AH15 C34H30O9 582.188982 NA MeJP NA NA +MJ083110 Alopecurone F C34H30O9 582.188982 NA MeJP NA NA +MJ083111 Crinemodin bianthrone; 1''-Hydroxy C34H30O9 582.188982 NA MeJP NA NA +MJ083112 Kuwanon P C34H30O9 582.188982 NA MeJP NA NA +MJ083113 Kuwanon X C34H30O9 582.188982 NA MeJP NA NA +MJ083114 Kuwanon Y C34H30O9 582.188982 NA MeJP NA NA +MJ083115 Semecarpetin C34H30O9 582.188982 NA MeJP NA NA +MJ083116 Sophoraflavanone H C34H30O9 582.188982 NA MeJP NA NA +MJ083117 Trianguletin; 4'-Demethoxy, 3-Me ether C34H30O9 582.188982 NA MeJP NA NA +PJ006698 SCCDR C19H34N8O9S2 582.189 NA PeJP NA NA +MJ083118 Ozemycin B C23H30N6O12 582.19217 NA MeJP NA NA +PJ006699 GNDDY C23H30N6O12 582.1922 NA PeJP NA NA +PJ006700 GSCMW C24H34N6O7S2 582.1931 NA PeJP NA NA +MJ083119 1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3'-Me ether, 3'',4'-di-O-?-D-glucopyranoside C27H34O14 582.194855 NA MeJP NA NA +MJ083120 2-(4-Hydroxyphenyl)ethanol; 1-O-[4-Hydroxy-3-methoxybenzoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C27H34O14 582.194855 NA MeJP NA NA +MJ083121 Lamiide; 7-(4-Methoxycinnamoyl)(E-) C27H34O14 582.194855 NA MeJP NA NA +MJ083122 Lamiide; 7-(4-Methoxycinnamoyl)(Z-) C27H34O14 582.194855 NA MeJP NA NA +MJ083123 Oleuropein; 10-Acetoxy, 3''-deoxy C27H34O14 582.194855 NA MeJP NA NA +MetaCyc03910 naringin dihydrochalcone [] C27H34O14 582.194856 NA metacyc NA NA +PJ006701 GSSSDM C20H34N6O12S 582.1956 NA PeJP NA NA +PJ006702 GNMMM C21H38N6O7S3 582.1964 NA PeJP NA NA +MJ083124 Histidinomycin C22H30N8O11 582.203403 NA MeJP NA NA +MJ083125 3,3'-Bi[7,8-dihydro-9-phenyl-9H-phenalene-1,2,6-triol] C38H30O6 582.204238 NA MeJP NA NA +MJ083126 Phenylmethyl N-[2-[[[2-amino-4-(methylthio)butyl]dithio]methyl]-1-oxo-3-phenylpropyl]phenylalaninate C31H38N2O3S3 582.204455 NA MeJP NA NA +C08046 Kanamycin sulfate C18H36N4O11 582.2054 NA KEGG NA NA +C08047 Transferred to D00867 C18H36N4O11 582.2054 NA KEGG NA NA +C08048 Transferred to D00868 C18H36N4O11 582.2054 NA KEGG NA NA +C08049 Transferred to D00869 C18H36N4O11 582.2054 NA KEGG NA NA +PJ006703 ACCMR C20H38N8O6S3 582.2077 NA PeJP NA NA +MJ083127 Auriculatin; 4'-O-?-D-Glucopyranoside C31H34O11 582.210111 NA MeJP NA NA +MJ083128 Buddlenol B; 9-Aldehyde C31H34O11 582.210111 NA MeJP NA NA +PJ006704 SSTCW C24H34N6O9S 582.2108 NA PeJP NA NA +PJ006705 SSSSSE C20H34N6O14 582.2133 NA PeJP NA NA +PJ006706 SSQMM C21H38N6O9S2 582.2142 NA PeJP NA NA +FL1CBANC0002 Calyxin B C35H34O8 582.22536 164991-53-1 knapsack NA NA +FL2FBANC0001 Calyxin C;2,3-Dihydro-7-hydroxy-8-[(1S,2E,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)-2-heptenyl]-2-(4-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-one C35H34O8 582.22536 193816-82-9 knapsack NA NA +FL2FBANC0002 Calyxin D;2,3-Dihydro-7-hydroxy-8-[(1R,2E,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)-2-heptenyl]-2-(4-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-one C35H34O8 582.22536 193816-86-3 knapsack NA NA +FL2FBANC0003 Calyxin G C35H34O8 582.22536 205313-10-6 knapsack NA NA +FL2FBANC0005 Calyxin K C35H34O8 582.22536 332877-78-8 knapsack NA NA +FL2FBANC0006 Calyxin M C35H34O8 582.22536 332877-84-6 knapsack NA NA +FL2FBANC0007 Epicalyxin C C35H34O8 582.22536 193816-85-2 knapsack NA NA +FL2FBANC0008 Epicalyxin D C35H34O8 582.22536 193816-93-2 knapsack NA NA +FL2FBANC0009 Epicalyxin G C35H34O8 582.22536 205313-11-7 knapsack NA NA +FL2FBANC0011 Epicalyxin K C35H34O8 582.22536 332877-79-9 knapsack NA NA +FL2FBANC0012 Epicalyxin M C35H34O8 582.22536 332396-26-6 knapsack NA NA +MJ083129 Calyxin B C35H34O8 582.225368 NA MeJP NA NA +MJ083130 Calyxin C C35H34O8 582.225368 NA MeJP NA NA +MJ083131 Calyxin E C35H34O8 582.225368 NA MeJP NA NA +MJ083132 Calyxin F C35H34O8 582.225368 NA MeJP NA NA +MJ083133 Calyxin G C35H34O8 582.225368 NA MeJP NA NA +MJ083134 Calyxin L C35H34O8 582.225368 NA MeJP NA NA +MJ083135 Calyxin M C35H34O8 582.225368 NA MeJP NA NA +MJ083136 Deoxycalyxin A C35H34O8 582.225368 NA MeJP NA NA +PJ006707 SSCMR C20H38N8O8S2 582.2254 NA PeJP NA NA +PJ006708 CQFW C28H34N6O6S 582.2261 NA PeJP NA NA +PJ006709 GSQEY C24H34N6O11 582.2286 NA PeJP NA NA +MJ083137 2,3,8,9,11,12,17-Heptahydroxy-5,13-briaradien-18,7-olide, 2,3,9,12-Tetra-Ac C28H38O13 582.231241 NA MeJP NA NA +MJ083138 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-?-D-glucopyranoside C28H38O13 582.231241 NA MeJP NA NA +MJ083139 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9-O-?-D-glucopyranoside C28H38O13 582.231241 NA MeJP NA NA +MJ083140 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-?-D-glucopyranoside C28H38O13 582.231241 NA MeJP NA NA +MJ083141 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9-O-?-D-glucopyranoside C28H38O13 582.231241 NA MeJP NA NA +MJ083142 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-?-D-glucopyranoside C28H38O13 582.231241 NA MeJP NA NA +MJ083143 3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5,5'-Tetra-Me ether, 4'-O-?-D-glucopyranoside C28H38O13 582.231241 NA MeJP NA NA +MJ083144 3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5,5'-Tetra-Me ether, 9-O-?-D-glucopyranoside C28H38O13 582.231241 NA MeJP NA NA +MJ083145 6,15-Dihydroxy-3,13-clerodadiene-16,15:17,12-diolid-18-oic acid, 15-Me ether, 6-O-?-D-glucopyranoside, Me ester C28H38O13 582.231241 NA MeJP NA NA +MJ083146 8,17-Epoxy-2,3,9,12,13,14-hexahydroxy-5-briaren-18,7-olide, 2,3,9,14-Tetra-Ac C28H38O13 582.231241 NA MeJP NA NA +PJ006710 GSSTTM C21H38N6O11S 582.2319 NA PeJP NA NA +PJ006711 ACKMM C22H42N6O6S3 582.2328 NA PeJP NA NA +MJ083147 [[3-[4-[(2-Ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(2-methylpropyl)-2-thienyl]sulfonyl]carbamic acid; Butyl ester C30H38N4O4S2 582.233447 NA MeJP NA NA +PJ006712 SPNEH C23H34N8O10 582.2398 NA PeJP NA NA +PJ006713 SQYW C28H34N6O8 582.2438 NA PeJP NA NA +MJ083148 Cardinalin 11; 4a-Deoxy C32H38O10 582.246497 NA MeJP NA NA +PJ006714 AAQMY C25H38N6O8S 582.2472 NA PeJP NA NA +HMDB01008 Biliverdin C33H34N4O6 582.2478 http://www.hmdb.ca/metabolites/HMDB01008 HMDB NA NA +C00500 Biliverdin C33H34N4O6 582.2478 NA KEGG NA NA +HMDB01008 Biliverdin C33H34N4O6 582.2478 HMDB01008 PFEM_hmdb_metabocards_official NA NA +MJ083149 Biliverdin C33H34N4O6 582.247834 NA MeJP NA NA +MJ083150 Azelnidipine C33H34N4O6 582.247834 NA MeJP NA NA +MJ083151 Biliverdin C33H34N4O6 582.247834 NA MeJP NA NA +MJ083152 Okaramine B; 12-Hydroxy C33H34N4O6 582.247834 NA MeJP NA NA +MetaCyc03911 bilirubin [] C33H34N4O6 582.247835 NA metacyc NA NA +MetaCyc03912 (3Z)-phytochromobilin [] C33H34N4O6 582.247835 NA metacyc NA NA +MetaCyc03913 15,16-dihydrobiliverdin [] C33H34N4O6 582.247835 NA metacyc NA NA +HMDB01008 Biliverdin C33H34N4O6 582.247864 NA HMDB2010 NA NA +PJ006715 SSSTTT C21H38N6O13 582.2497 NA PeJP NA NA +PJ006716 SSKMM C22H42N6O8S2 582.2506 NA PeJP NA NA +PJ006717 GNQQH C22H34N10O9 582.251 NA PeJP NA NA +PJ006718 GGGQQH C22H34N10O9 582.2511 NA PeJP NA NA +PJ006719 GSPHW C27H34N8O7 582.2551 NA PeJP NA NA +PJ006720 NMRY C24H38N8O7S 582.2584 NA PeJP NA NA +PJ006721 GAAPMH C24H38N8O7S 582.2585 NA PeJP NA NA +PJ006722 CKFW C29H38N6O5S 582.2625 NA PeJP NA NA +PJ006723 GSKEY C25H38N6O10 582.265 NA PeJP NA NA +MJ083153 Sarmentosigenin A acid; 3-O-?-L-Rhamnoside C29H42O12 582.267626 NA MeJP NA NA +MJ083154 Sarmentosigenin A acid; 3-O-?-L-Talomethyloside C29H42O12 582.267626 NA MeJP NA NA +MJ083155 p-Mentha-1,3,5-triene-2,3-diol; 3-O-[3-O-Angeloyl-?-D-fucopyranosyl-(1?3)-4-O-acetyl-?-D-fucopyranoside] C29H42O12 582.267626 NA MeJP NA NA +PJ006724 APCHR C23H38N10O6S 582.2697 NA PeJP NA NA +MJ083156 27-Norcholestane-3,4,5,6,7,8,14,15,24-nonol, 6-Sulfate C26H46O12S 582.270997 NA MeJP NA NA +MJ083157 Proticin C31H44NaO7P 582.272234 NA MeJP NA NA +MJ083158 Berbamunine, N-De-Me C35H38N2O6 582.272986 NA MeJP NA NA +MJ083159 Lindoldhamine; N2'-Me C35H38N2O6 582.272986 NA MeJP NA NA +MJ083160 Lindoldhamine; N2-Me C35H38N2O6 582.272986 NA MeJP NA NA +MJ083161 Lindoldhamine; O12-Me C35H38N2O6 582.272986 NA MeJP NA NA +MJ083162 Lindoldhamine; O7'-Me C35H38N2O6 582.272986 NA MeJP NA NA +MJ083163 Lindoldhamine; O7-Me C35H38N2O6 582.272986 NA MeJP NA NA +MJ083164 Thalibrine; N2',O7,O12-Tri-de-Me C35H38N2O6 582.272986 NA MeJP NA NA +MJ083165 2'-Norberbamunine C35H38N2O6 582.272987 NA MeJP NA NA +C06512 2'-Norberbamunine C35H38N2O6 582.273 NA KEGG NA NA +PJ006725 GSTRY C24H38N8O9 582.2762 NA PeJP NA NA +PJ006726 SKYW C29H38N6O7 582.2802 NA PeJP NA NA +MJ083166 11,16:15,16-Diepoxy-1,6,7-trihydroxy-18-clerodanal, 6-Cinnamoyl(E-), 1,7-di-Ac C33H42O9 582.282882 NA MeJP NA NA +MJ083167 11,16:15,16-Diepoxy-1,6,7-trihydroxy-18-clerodanal, 6-Cinnamoyl(Z-), 1,7-di-Ac C33H42O9 582.282882 NA MeJP NA NA +MJ083168 3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 7,14,15-tri-Ac C33H42O9 582.282882 NA MeJP NA NA +MJ083169 4(20),11-Taxadiene-2,5,9,10,13-pentol, 4?,20-Epoxide, 5-cinnamoyl, 2,13-di-Ac C33H42O9 582.282882 NA MeJP NA NA +MJ083170 Nimbolinin; 12-Ketone(lactone), 7-tigloyl, 1-Ac C33H42O9 582.282882 NA MeJP NA NA +MJ083171 Nimbolinin; 12-Ketone(lactone), 7-tigloyl, 3-Ac C33H42O9 582.282882 NA MeJP NA NA +PJ006727 AAKMY C26H42N6O7S 582.2836 NA PeJP NA NA +C09999 Aralionine A C34H38N4O5 582.2842 NA KEGG NA NA +MJ083172 Aralionine A C34H38N4O5 582.28422 NA MeJP NA NA +PJ006728 AAEHR C23H38N10O8 582.2874 NA PeJP NA NA +PJ006729 GGGGAKH C23H38N10O8 582.2875 NA PeJP NA NA +PJ006730 LQHW C28H38N8O6 582.2914 NA PeJP NA NA +PJ006731 GALHW C28H38N8O6 582.2915 NA PeJP NA NA +PJ006732 APKMH C25H42N8O6S 582.2948 NA PeJP NA NA +PJ006733 DHRR C22H38N12O7 582.2987 NA PeJP NA NA +MJ083173 Caracurine II C38H38N4O2 582.299476 NA MeJP NA NA +MJ083174 Strychnochrysine C38H39N4O2(+) 582.299476 NA MeJP NA NA +PJ006734 ATTKY C26H42N6O9 582.3013 NA PeJP NA NA +PJ006735 PPLQE C26H42N6O9 582.3014 NA PeJP NA NA +MJ083175 14-Labdene-3,6,8,12,13,20-hexol, 3,6,8,12,20-Penta-Ac C30H46O11 582.304012 NA MeJP NA NA +MJ083176 4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 14,15-Dihydro, 15-ethoxy, 3-(2-methylpropanoyl), 6,19-di-Ac C30H46O11 582.304012 NA MeJP NA NA +MJ083177 4,18:11,16:15,16-Triepoxy-2,3,6,15,19-clerodanepentol, 15-Me ether, 3-(2-methylbutanoyl), 6,19-di-Ac C30H46O11 582.304012 NA MeJP NA NA +PJ006736 PPVDR C25H42N8O8 582.3126 NA PeJP NA NA +PJ006737 APPLW C30H42N6O6 582.3166 NA PeJP NA NA +C11978 5-Oxoavermectin ''1a'' aglycone C34H46O8 582.3193 NA KEGG NA NA +PJ006738 GTLHR C24H42N10O7 582.3238 NA PeJP NA NA +PJ006739 LKHW C29H42N8O5 582.3278 NA PeJP NA NA +MJ083178 Acobretine A C33H46N2O7 582.330501 NA MeJP NA NA +MJ083179 Talatizamine; O18-De-Me, O14-Me, 18-O-(2-acetamidobenzoyl) C33H46N2O7 582.330501 NA MeJP NA NA +PJ006740 PPLKE C27H46N6O8 582.3377 NA PeJP NA NA +MJ083180 7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-angeloyl, 2-O-?-D-glucopyranoside C31H50O10 582.340397 NA MeJP NA NA +PJ006741 PPTLR C26H46N8O7 582.349 NA PeJP NA NA +MJ083181 Thiobinupharidine; 6,6'-Diethoxy C34H50N2O4S 582.349128 NA MeJP NA NA +MJ083182 8-[(2-Oxo-3-piperidinyl)amino]-8-oxooctyl 5,9-anhydro-2,3,8-trideoxy-8-(5-hydroxy-4-methyl-2-hexenyl)-3-methyl-DL-glycero-LD-allo-non-2-enonoate C30H50N2O9 582.351631 NA MeJP NA NA +MJ083183 Antibiotic SB 291071; Homologue (R = -(CH2)12CH3) C30H50N2O9 582.351631 NA MeJP NA NA +MJ083184 Astasin C35H50O7 582.355653 NA MeJP NA NA +MJ083185 2,3-Dihydroxy-2-nor-?,?-carotene-3,4-dione C39H50O4 582.37091 NA MeJP NA NA +MJ083186 2-Norastaxanthin C39H50O4 582.37091 NA MeJP NA NA +PJ006742 PLLLQ C28H50N6O7 582.3741 NA PeJP NA NA +PJ006743 PVVLR C27H50N8O6 582.3854 NA PeJP NA NA +MJ083187 3,25-Epoxy-3,22-dihydroxy-12-oleanen-28-oic acid, 3-Me ether, 22-angeloyl C36H54O6 582.392039 NA MeJP NA NA +MJ083188 Lantic acid; 3-Me ether, 22?-angeloyloxy C36H54O6 582.392039 NA MeJP NA NA +MJ083189 Manzamine A, 8-Hydroxy, 1,2,3,4-tetrahydro, N2-Me C37H50N4O2 582.393376 NA MeJP NA NA +MJ083190 2,3-Dihydroxy-?,?-caroten-4-one C40H54O3 582.407295 NA MeJP NA NA +MJ083191 3',4'-Didehydro-1',2'-dihydro-1',2'-dihydroxy-?,?-caroten-4-one C40H54O3 582.407295 NA MeJP NA NA +MJ083192 7,8-Didehydro-?,?-carotene-3,3',6'-triol C40H54O3 582.407295 NA MeJP NA NA +MJ083193 Adonixanthin C40H54O3 582.407295 NA MeJP NA NA +MJ083194 Capsanthin; 3'-Ketone C40H54O3 582.407295 NA MeJP NA NA +MJ083195 Diadinochrome C40H54O3 582.407295 NA MeJP NA NA +MJ083196 Diadinoxanthin A C40H54O3 582.407295 NA MeJP NA NA +MJ083197 Flexixanthin C40H54O3 582.407295 NA MeJP NA NA +MJ083198 Pectenol C40H54O3 582.407295 NA MeJP NA NA +MJ083199 Prasinoxanthin; 3'-Deoxy, 3',4'-didehydro C40H54O3 582.407295 NA MeJP NA NA +MJ083200 ?-Cryptoeutreptiellanone C40H54O3 582.407295 NA MeJP NA NA +MJ083201 ?-Doradexanthin C40H54O3 582.407295 NA MeJP NA NA +C15968 Adonixanthin C40H54O3 582.4073 NA KEGG NA NA +C16347 Deinoxanthin C40H54O3 582.4073 NA KEGG NA NA +PJ006744 PLLLK C29H54N6O6 582.4105 NA PeJP NA NA +MJ083202 Bengamide Z; 6-Deoxy, 5'-O-tetradecanoyl C32H58N2O7 582.424402 NA MeJP NA NA +MJ083203 3-(3,7-Dimethyl-5-oxo-2,6-octadienyl)-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde; 5'-Deoxo, 1'-O-(9Z-octadecenoyl) C37H58O5 582.428424 NA MeJP NA NA +MJ083204 Polidocanol C30H62O10 582.434298 NA MeJP NA NA +C13493 Polidocanol C30H62O10 582.4343 NA KEGG NA NA +C13494 Transferred to D01994 C30H62O10 582.4343 NA KEGG NA NA +C13495 Transferred to D01995 C30H62O10 582.4343 NA KEGG NA NA +C13496 Transferred to D01996 C30H62O10 582.4343 NA KEGG NA NA +C13497 Transferred to D01997 C30H62O10 582.4343 NA KEGG NA NA +C13498 Transferred to D01998 C30H62O10 582.4343 NA KEGG NA NA +C13499 Transferred to D01999 C30H62O10 582.4343 NA KEGG NA NA +C13500 Kitasamycin tartrate C35H57NO13 582.4343 NA KEGG NA NA +C13501 Transferred to D02001 C35H57NO13 582.4343 NA KEGG NA NA +C13502 Transferred to D02002 C35H57NO13 582.4343 NA KEGG NA NA +MJ083205 1,2-Dihydro-1-methoxy-?,?-caroten-4-one C41H58O2 582.443681 NA MeJP NA NA +MJ083206 12-Oleanen-3-ol, O-(5-Phenyl-2,4-pentadienoyl) C41H58O2 582.443681 NA MeJP NA NA +MJ083207 Bacteriopurpurin C41H58O2 582.443681 NA MeJP NA NA +MJ083208 Rhodopinol; 20-Aldehyde, 1-Me ether C41H58O2 582.443681 NA MeJP NA NA +MJ083209 Saproxanthin; 1'-Me ether C41H58O2 582.443681 NA MeJP NA NA +MJ083210 Spheroidenone C41H58O2 582.443681 NA MeJP NA NA +MJ083211 Thiothece 474 C41H58O2 582.443681 NA MeJP NA NA +C15879 Hydroxyspirilloxanthin C41H58O2 582.4437 NA KEGG NA NA +C15880 Allatostatin I C41H58O2 582.4437 NA KEGG NA NA +C15903 Spheroidenone C41H58O2 582.4437 NA KEGG NA NA +C15904 Galantide C41H58O2 582.4437 NA KEGG NA NA +C16277 R.g.-Keto I C41H58O2 582.4437 NA KEGG NA NA +C16279 Thiothece-474 C41H58O2 582.4437 NA KEGG NA NA +C16280 Okenone C41H58O2 582.4437 NA KEGG NA NA +MJ083212 Donhexocin; 19,20-Dideoxy C35H66O6 582.485939 NA MeJP NA NA +MJ083213 Gardnerilin B C35H66O6 582.485939 NA MeJP NA NA +MJ083214 N,N'-Bis[6-[[(2-methoxyphenyl)methyl]amino]hexyl]-1,8-octanediamine C36H62N4O2 582.487277 NA MeJP NA NA +HMDB07071 DG(15:0/18:0/0:0) C36H70O5 582.522339 NA HMDB2010 NA NA +HMDB07155 DG(18:0/15:0/0:0) C36H70O5 582.522339 NA HMDB2010 NA NA +HMDB11146 DG(16:0e/18:0/0:0) C37H74O4 582.558716 NA HMDB2010 NA NA +2742 activating kinases and phosphatases peptide EPFYVNWPD 582.7469 MH2+ Inhouse_peptide NA peptide +3603 heparin-binding peptide PSITCVRRAF 582.795 MH2+ Inhouse_peptide NA peptide +3696 NA KKWHRRKK 582.8575 MH2+ Inhouse_peptide NA peptide +C02894 Watasenia luciferin C26H21N3O9S2 583.0719 NA KEGG NA NA +MJ083215 Coelenterazine; 4',4'''-Di-O-sulfate C26H21N3O9S2 583.07192 NA MeJP NA NA +PJ006745 CCDDE C19H29N5O12S2 583.1254 NA PeJP NA NA +PJ006746 CCNNM C19H33N7O8S3 583.1553 NA PeJP NA NA +PJ006747 SCDEM C20H33N5O11S2 583.1618 NA PeJP NA NA +PJ006748 PCCMM C21H37N5O6S4 583.1627 NA PeJP NA NA +PJ006749 GSSCCQ C19H33N7O10S2 583.1731 NA PeJP NA NA +PJ006750 GDDDY C23H29N5O13 583.1762 NA PeJP NA NA +PJ006751 PCCDF C24H33N5O8S2 583.1771 NA PeJP NA NA +PJ006752 GDMMM C21H37N5O8S3 583.1804 NA PeJP NA NA +PJ006753 VCCEM C21H37N5O8S3 583.1805 NA PeJP NA NA +MJ083216 Neoacrimarine C; 10-Deoxy C33H29NO9 583.184231 NA MeJP NA NA +PJ006754 SSSSCN C19H33N7O12S 583.1908 NA PeJP NA NA +PJ006755 CCCQK C20H37N7O7S3 583.1917 NA PeJP NA NA +PJ006756 SPCDY C24H33N5O10S 583.1948 NA PeJP NA NA +PJ006757 SSEMM C21H37N5O10S2 583.1982 NA PeJP NA NA +PJ006758 GCMHH C22H33N9O6S2 583.1995 NA PeJP NA NA +PJ006759 GCNQY C23H33N7O9S 583.2061 NA PeJP NA NA +PJ006760 GSSCCK C20H37N7O9S2 583.2094 NA PeJP NA NA +PJ006761 CEFW C28H33N5O7S 583.2101 NA PeJP NA NA +PJ006762 GSEEY C24H33N5O12 583.2126 NA PeJP NA NA +PJ006763 APCMY C25H37N5O7S2 583.2135 NA PeJP NA NA +PJ006764 ATMMM C22H41N5O7S3 583.2168 NA PeJP NA NA +PJ006765 STCHH C22H33N9O8S 583.2173 NA PeJP NA NA +PJ006766 SSNNY C23H33N7O11 583.2238 NA PeJP NA NA +PJ006767 PPCMH C24H37N7O6S2 583.2247 NA PeJP NA NA +PJ006768 SEYW C28H33N5O9 583.2278 NA PeJP NA NA +PJ006769 CCCKK C21H41N7O6S3 583.2281 NA PeJP NA NA +PJ006770 AAEMY C25H37N5O9S 583.2312 NA PeJP NA NA +MJ083217 Hikizimycin C21H37N5O14 583.2337 NA MeJP NA NA +PJ006771 TTTMM C22H41N5O9S2 583.2346 NA PeJP NA NA +PJ006772 GNQEH C22H33N9O10 583.2351 NA PeJP NA NA +MJ083218 Trideacetylpyripyropene A; 3,7,19-Tri-Ac C31H37NO10 583.241746 NA MeJP NA NA +PJ006773 DMRY C24H37N7O8S 583.2425 NA PeJP NA NA +PJ006774 CLYW C29H37N5O6S 583.2465 NA PeJP NA NA +PJ006775 ATTEY C25H37N5O11 583.249 NA PeJP NA NA +PJ006776 ACLMF C26H41N5O6S2 583.2498 NA PeJP NA NA +PJ006777 GVMMF C26H41N5O6S2 583.2499 NA PeJP NA NA +PJ006778 NQHW C26H33N9O7 583.2503 NA PeJP NA NA +PJ006779 GLEEH C24H37N7O10 583.2602 NA PeJP NA NA +MJ083219 Methyl 1-[3-[[[5-(aminocarbonyl)-6-(3,4-difluorophenyl)-4-ethyl-3,4-dihydro-2-oxo-1(2H)-pyrimidinyl]carbonyl]amino]propyl]-4-phenyl-4-piperidinecarboxylate C30H35F2N5O5 583.260625 NA MeJP NA NA +PJ006780 MMFR C25H41N7O5S2 583.2611 NA PeJP NA NA +PJ006781 GPHHH C25H33N11O6 583.2616 NA PeJP NA NA +PJ006782 AAPYY C29H37N5O8 583.2642 NA PeJP NA NA +PJ006783 GTLMY C26H41N5O8S 583.2676 NA PeJP NA NA +C18069 N1,N5,N10-Tricoumaroyl spermidine C34H37N3O6 583.2682 NA KEGG NA NA +MJ083220 Spermidine; N,N',N''-Tris(4-hydroxycinnamoyl) C34H37N3O6 583.268235 NA MeJP NA NA +PJ006784 ATQQH C23H37N9O9 583.2714 NA PeJP NA NA +PJ006785 GNKEH C23H37N9O9 583.2715 NA PeJP NA NA +PJ006786 LEHW C28H37N7O7 583.2755 NA PeJP NA NA +PJ006787 SPLMH C25H41N7O7S 583.2788 NA PeJP NA NA +MJ083221 Ergotamine; Dihydro C33H37N5O5 583.279469 NA MeJP NA NA +C07798 Dihydroergotamine C33H37N5O5 583.2795 NA KEGG NA NA +C07799 Transferred to D00679 C33H37N5O5 583.2795 NA KEGG NA NA +C07800 Transferred to D00680 C33H37N5O5 583.2795 NA KEGG NA NA +C07801 Transferred to D00681 C33H37N5O5 583.2795 NA KEGG NA NA +C07802 Transferred to D00682 C33H37N5O5 583.2795 NA KEGG NA NA +C07803 Transferred to D00683 C33H37N5O5 583.2795 NA KEGG NA NA +C07804 Transferred to D00684 C33H37N5O5 583.2795 NA KEGG NA NA +C01023 Dihydrostreptomycin C21H41N7O12 583.2813 NA KEGG NA NA +MJ083222 Dihydrostreptomycin C21H41N7O12 583.281319 NA MeJP NA NA +PJ006788 GSQHR C22H37N11O8 583.2827 NA PeJP NA NA +PJ006789 STTLY C26H41N5O10 583.2854 NA PeJP NA NA +PJ006790 NKHW C27H37N9O6 583.2867 NA PeJP NA NA +PJ006791 SVLEH C25H41N7O9 583.2966 NA PeJP NA NA +MJ083223 Tiprostanide C33H45NO6S 583.296758 NA MeJP NA NA +PJ006792 AALFY C30H41N5O7 583.3006 NA PeJP NA NA +MJ083224 Youlemycin C23H45N5O12 583.306471 NA MeJP NA NA +PJ006793 SPPQR C24H41N9O8 583.3078 NA PeJP NA NA +PJ006794 GPPKW C29H41N7O6 583.3119 NA PeJP NA NA +MJ083225 Pyrochasmaconitine; 4'-Methoxy C33H45NO8 583.314517 NA MeJP NA NA +MJ083226 Senbusine A; O1-Me, O14-benzoyl, O8-Ac C33H45NO8 583.314517 NA MeJP NA NA +MJ083227 Taxine B C33H45NO8 583.314517 NA MeJP NA NA +PJ006795 ALLMH C26H45N7O6S 583.3152 NA PeJP NA NA +PJ006796 GSKHR C23H41N11O7 583.3191 NA PeJP NA NA +MJ083228 10-Hydroxy-18-(N-naphthalenyl-N-phenylamino)betaenone C C37H45NO5 583.329773 NA MeJP NA NA +MJ083229 Penitrem A; 15-Deoxy, dechloro C37H45NO5 583.329773 NA MeJP NA NA +MJ083230 Shearinine A C37H45NO5 583.329773 NA MeJP NA NA +PJ006797 TTLLH C26H45N7O8 583.333 NA PeJP NA NA +PJ006798 SPPKR C25H45N9O7 583.3442 NA PeJP NA NA +PJ006799 GPVRR C24H45N11O6 583.3555 NA PeJP NA NA +PJ006800 PLLLE C28H49N5O8 583.3581 NA PeJP NA NA +PJ006801 PRRR C23H45N13O5 583.3667 NA PeJP NA NA +PJ006802 PVLQK C27H49N7O7 583.3694 NA PeJP NA NA +MJ083231 Antibiotic M 2845 C31H53NO9 583.372032 NA MeJP NA NA +MJ083232 Rosamicin; 20-Alcohol C31H53NO9 583.372032 NA MeJP NA NA +MJ083233 Tylonolide; 20-Deoxo, 5-O-(3,6-dideoxy-3-dimethylamino-?-D-glucopyranoside) C31H53NO9 583.372032 NA MeJP NA NA +PJ006803 APLKR C26H49N9O6 583.3806 NA PeJP NA NA +EUR892 Lyso PE 22:0 [M+FA-H]- C27H56NO7P 583.384322 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR892 Lyso PE 22:0 [M+FA-H]- C27H56NO7P 583.384322 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR892 Lyso PE 22:0 [M+FA-H]- C27H56NO7P 583.384322 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR892 Lyso PE 22:0 [M+FA-H]- C27H56NO7P 583.384322 masses lipides attendues Inhousejuil11 NA NA +EUR673 Lyso PC 18:0 [M-H+acetate]- C26H54NO7P 583.384892 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR673 Lyso PC 18:0 [M-H+acetate]- C26H54NO7P 583.384892 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR673 Lyso PC 18:0 [M-H+acetate]- C26H54NO7P 583.384892 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR673 Lyso PC 18:0 [M-H+acetate]- C26H54NO7P 583.384892 masses lipides attendues Inhousejuil11 NA NA +MJ083234 Antibiotic 1656G C29H53N5O7 583.394499 NA MeJP NA NA +PJ006804 PVLKK C28H53N7O6 583.4058 NA PeJP NA NA +PJ006805 LLLLL C30H57N5O6 583.4309 NA PeJP NA NA +MJ083235 Didemniserinolipid A; O-De-Ac, Et ester C33H61NO7 583.444803 NA MeJP NA NA +MJ083236 2-Amino-1,3,4-tridecanetriol, N-Tricosanoyl C36H73NO4 583.553959 NA MeJP NA NA +7318 celiac sprue gluten epitope from gamma-gliadin PHQQQQQQF 583.763 MH2+ Inhouse_peptide NA peptide +7405 celiac sprue gluten epitope found in secalin QHQQFPQQQ 583.763 MH2+ Inhouse_peptide NA peptide +7038 synthetic peptide from alpha-gliadin AMCNVYIPPYCT 583.77465 MH2+ Inhouse_peptide NA peptide +FL5FACNSS009 Quercetin 3-acetate 7,3',4'-tri-O-sulfate C17H12O17S3 583.92366 60534-79-4 knapsack NA NA +MJ083237 3,3',4',5,7-Pentahydroxyflavone; 3-Ac, 3',4',7-tri-O-sulfate C17H12O17S3 583.923661 NA MeJP NA NA +MJ083238 Echinosulfonic acid C; 1''-Et ether C21H18Br2N2O6S 583.925232 NA MeJP NA NA +MJ083239 Cefodizime C20H20N6O7S4 584.027629 NA MeJP NA NA +MJ083240 Antibiotic Sch 202596 C25H22Cl2O12 584.048831 NA MeJP NA NA +MJ083241 3',3''',4',4'',5,5'',7,7''-Octahydroxy-2',8''-biflavone; 4'''-Me ether C31H20O12 584.095476 NA MeJP NA NA +MJ083242 Glucose 3-nitropropanoates; 1,2,3,6-Tetrakis-(3-nitropropanoyl)-?-D-glucopyranose C18H24N4O18 584.108559 NA MeJP NA NA +MJ083243 Glucose 3-nitropropanoates; 1,2,4,6-Tetrakis-(3-nitropropanoyl)-?-D-glucopyranose C18H24N4O18 584.108559 NA MeJP NA NA +MJ083244 Glucose 3-nitropropanoates; 1,3,4,6-Tetrakis-(3-nitropropanoyl)-?-D-glucopyranose C18H24N4O18 584.108559 NA MeJP NA NA +MJ083245 Glucose 3-nitropropanoates; 2,3,4,6-Tetrakis(3-nitropropanoyl)-?-D-glucopyranose C18H24N4O18 584.108559 NA MeJP NA NA +FL3FAACS0083 2''-O-Galloylisovitexin C28H24O14 584.1166 267883-58-9 knapsack NA NA +FL3FAACS0087 Vitexin 2''-O-gallate C28H24O14 584.1166 267883-59-0 knapsack NA NA +FL5FACGA0030 Quercetin 3-(6''-p-hydroxybenzoylgalactoside) C28H24O14 584.1166 72672-58-3 knapsack NA NA +FL5FAGGS0028 Myricetin 3-(2''-p-hydroxybenzoylrhamnoside);3-[[6-Deoxy-2-O-(4-hydroxybenzoyl)-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C28H24O14 584.1166 284684-23-7 knapsack NA NA +MJ083246 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[4-Hydroxybenzoyl-(?2)-?-L-rhamnopyranoside] C28H24O14 584.116605 NA MeJP NA NA +MJ083247 4',5,7-Trihydroxyflavone; 5-O-[3,4,5-Trihydroxybenzoyl-(??)-?-D-glucopyranoside] C28H24O14 584.116605 NA MeJP NA NA +MJ083248 Hyperin; 6''-O-(4-Hydroxybenzoyl) C28H24O14 584.116605 NA MeJP NA NA +MJ083249 Isovitexin; 2''-O-(3,4,5-Trihydroxybenzoyl) C28H24O14 584.116605 NA MeJP NA NA +MJ083250 Vitexin; 2''-O-(3,4,5-Trihydroxybenzoyl) C28H24O14 584.116605 NA MeJP NA NA +PJ006806 GPCCCC C19H32N6O7S4 584.1216 NA PeJP NA NA +MJ083251 Rugulosin, 2,2'-Diepimer, 2-O-Ac C32H24O11 584.131861 NA MeJP NA NA +MJ083252 ?-D-Galactopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-D-mannose; ?-D-Pyranose-form, 1-Phosphate C18H33O19P 584.135365 NA MeJP NA NA +MJ083253 ?-D-Mannopyranosyl-(1?2)-?-D-mannopyranosyl-(1?6)-D-mannose; ?-Pyranose-form, 6'-Phosphate C18H33O19P 584.135365 NA MeJP NA NA +MJ083254 1,2,6,8-Tetrahydroxyxanthone; 1-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C25H28O16 584.137734 NA MeJP NA NA +MJ083255 1,2,6,8-Tetrahydroxyxanthone; 6,8-Di-O-?-D-glucopyranoside C25H28O16 584.137734 NA MeJP NA NA +MJ083256 1,2,6,8-Tetrahydroxyxanthone; 8-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C25H28O16 584.137734 NA MeJP NA NA +MJ083257 1,2,6,8-Tetrahydroxyxanthone; 8-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C25H28O16 584.137734 NA MeJP NA NA +MJ083258 Isomangiferin; O-?-D-Glucopyranosyl (1) C25H28O16 584.137734 NA MeJP NA NA +MJ083259 Isomangiferin; O-?-D-Glucopyranosyl (2) C25H28O16 584.137734 NA MeJP NA NA +MJ083260 Mangiferin; 6-O-?-D-Glucopyranoside C25H28O16 584.137734 NA MeJP NA NA +MJ083261 Mangiferin; 7-O-?-D-Glucopyranoside C25H28O16 584.137734 NA MeJP NA NA +MJ083262 Mangiferin; O-?-D-Glucopyranoside C25H28O16 584.137734 NA MeJP NA NA +MJ083263 Mangiferin; O-Glucosyl C25H28O16 584.137734 NA MeJP NA NA +PJ006807 CCNDM C19H32N6O9S3 584.1393 NA PeJP NA NA +MJ083264 3,3',4',5,7-Pentahydroxyflavanone, 3'-O-(6-O-Phenylacetyl-?-D-glucopyranoside) C29H28O13 584.15299 NA MeJP NA NA +FL4DACGS0020 Taxifolin 3'-(6''-phenylacetylglucoside) C29H28O13 584.15299 95519-27-0 knapsack NA NA +PJ006808 ACCCW C23H32N6O6S3 584.1546 NA PeJP NA NA +PJ006809 GSSCCE C19H32N6O11S2 584.1571 NA PeJP NA NA +MJ083265 3',4',4''',5,5'',7''-Hexahydroxy-8,3'''-biflavanone, 4',4''',7''-Tri-Me ether C33H28O10 584.168247 NA MeJP NA NA +MJ083266 Amentoflavone; 2,2'',3,3''-Tetrahydro, 4',7,7''-tri-Me ether C33H28O10 584.168247 NA MeJP NA NA +MJ083267 Anhydrophlegmacin-9,10-quinone A2; 5'-Me ether C33H28O10 584.168247 NA MeJP NA NA +MJ083268 Anhydropseudophlegmacin 9,10-quinone; 1-Me ether C33H28O10 584.168247 NA MeJP NA NA +MJ083269 Chamaejasmin, 4',4''',7-Tri-Me ether C33H28O10 584.168247 NA MeJP NA NA +MJ083270 Dermocanarin 1 C33H28O10 584.168247 NA MeJP NA NA +MJ083271 Hexaspermone C C33H28O10 584.168247 NA MeJP NA NA +MJ083272 [p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2'-(3-Phenylpropanoyl), 3',5',6'-tri-Ac C33H28O10 584.168247 NA MeJP NA NA +PJ006810 SSCCW C23H32N6O8S2 584.1723 NA PeJP NA NA +MJ083273 1,2,4-Benzenetriol; 2-Me ether, 4-O-[4-hydroxy-3-methoxybenzoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C26H32O15 584.17412 NA MeJP NA NA +MJ083274 Arbutin; 2-O-[(4-Hydroxy-3,5-dimethoxybenzoyl)-(?5)-?-D-apiofuranosyl] C26H32O15 584.17412 NA MeJP NA NA +MJ083275 Nyctanthoside; 10-O-(3,4-Dihydroxy-E-cinnamoyl) C26H32O15 584.17412 NA MeJP NA NA +MJ083276 Nyctanthoside; 7-O-(3,4-Dihydroxycinnamoyl) C26H32O15 584.17412 NA MeJP NA NA +PJ006811 SSSSCD C19H32N6O13S 584.1748 NA PeJP NA NA +PJ006812 SCNMM C20H36N6O8S3 584.1757 NA PeJP NA NA +MJ083277 7,7'-Oxybis[6-methyl-5,8-dioxo-1-isoquinolinemethanol]; Diangeloyl C32H28N2O9 584.17948 NA MeJP NA NA +PJ006813 TCCCR C19H36N8O7S3 584.1869 NA PeJP NA NA +FL63ACGN0001 Sachaliside 2 C30H32O12 584.18937 132185-21-8 knapsack NA NA +MJ083278 2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-[(4-Hydroxy-3-methoxy-E-cinnamoyl)-(?6)-?-D-glucopyranoside] C30H32O12 584.189376 NA MeJP NA NA +MJ083279 Albiflorin; 6'-O-Benzoyl C30H32O12 584.189376 NA MeJP NA NA +MJ083280 Aloesin; 7-Me ether, 2'-O-(4-hydroxy-3-methoxy-E-cinnamoyl) C30H32O12 584.189376 NA MeJP NA NA +MJ083281 Paeonidaninol A C30H32O12 584.189376 NA MeJP NA NA +MJ083282 Paeoniflorin; 6'-O-Benzoyl C30H32O12 584.189376 NA MeJP NA NA +MJ083283 Sachaliside 2 C30H32O12 584.189376 NA MeJP NA NA +PJ006814 GCNEY C23H32N6O10S 584.1901 NA PeJP NA NA +PJ006815 GSSTCM C20H36N6O10S2 584.1935 NA PeJP NA NA +PJ006816 PCNDH C22H32N8O9S 584.2013 NA PeJP NA NA +MJ083284 6-Chloro-2,8,9,13,14-pentahydroxy-5(16),11(20)-briaradien-18,7-olide; 2,9,13,14-Tetra-Ac C28H37ClO11 584.202439 NA MeJP NA NA +PJ006817 CNYW C27H32N6O7S 584.2053 NA PeJP NA NA +PJ006818 SSNDY C23H32N6O12 584.2078 NA PeJP NA NA +MJ083285 Ozemycin A C23H32N6O12 584.20782 NA MeJP NA NA +PJ006819 GCQMF C24H36N6O7S2 584.2087 NA PeJP NA NA +MJ083286 Laciniatoside V; 7-Aldehyde C27H36O14 584.210505 NA MeJP NA NA +MJ083287 Scaevoloside C27H36O14 584.210505 NA MeJP NA NA +MJ083288 Sylvestroside IV C27H36O14 584.210505 NA MeJP NA NA +PJ006820 SSSSSM C20H36N6O12S 584.2112 NA PeJP NA NA +PJ006821 TCCKM C21H40N6O7S3 584.2121 NA PeJP NA NA +2708 erythromycin inhibitor MTITC 584.2184 NA Inhouse_peptide NA peptide +PJ006822 GNEEH C22H32N8O11 584.2191 NA PeJP NA NA +PJ006823 GCCFR C23H36N8O6S2 584.2199 NA PeJP NA NA +MJ083289 Buddlenol B C31H36O11 584.225761 NA MeJP NA NA +MJ083290 Buddlenol E C31H36O11 584.225761 NA MeJP NA NA +MJ083291 Ficusesquilignan B C31H36O11 584.225761 NA MeJP NA NA +MJ083292 Hedyotol C C31H36O11 584.225761 NA MeJP NA NA +PJ006824 GSQMY C24H36N6O9S 584.2265 NA PeJP NA NA +MetaCyc03914 Mg-protoporphyrin [Mg-protoporphyrin IX;Mg-protoporphyrin;magnesium protoporphyrin;MgP;] C34H32N4O4MG1 584.227397 NA metacyc NA NA +C03516 Magnesium protoporphyrin C34H32MgN4O4 584.2274 NA KEGG NA NA +C03517 Monoterpenyl diphosphate P2H3O7R 584.2274 NA KEGG NA NA +C03518 N-Acetyl-D-glucosaminide C8H14NO6R 584.2274 NA KEGG NA NA +PJ006825 SNNNH C21H32N10O10 584.2303 NA PeJP NA NA +PJ006826 NEHW C26H32N8O8 584.2343 NA PeJP NA NA +PJ006827 GSCRY C23H36N8O8S 584.2377 NA PeJP NA NA +MJ083293 18-Chloro-1,4,6,12,19-pentahydroxy-13-cleroden-15,16-olide, 1-Tigloyl, 6,19-di-Ac C29H41ClO10 584.238825 NA MeJP NA NA +MJ083294 Antibiotic C 104 C35H36O8 584.241018 NA MeJP NA NA +MJ083295 Iryantherin C C35H36O8 584.241018 NA MeJP NA NA +PJ006828 SSTQY C24H36N6O11 584.2442 NA PeJP NA NA +PJ006829 GCKMF C25H40N6O6S2 584.2451 NA PeJP NA NA +7712 NA GWNNLHEGWG 584.2454 MH2+ Inhouse_peptide NA peptide +MJ083296 3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,3',5',9-Tetra-Me ether, 9'-O-?-D-glucopyranoside C28H40O13 584.246891 NA MeJP NA NA +3712 NA FYQQ 584.247 ACE inhibitor Inhouse_peptide NA peptide +PJ006830 GHWW C30H32N8O5 584.2496 NA PeJP NA NA +MJ083297 Sampatrilat C26H40N4O9S 584.251599 NA MeJP NA NA +PJ006831 GDKEH C23H36N8O10 584.2555 NA PeJP NA NA +PJ006832 GPPEW C28H36N6O8 584.2595 NA PeJP NA NA +MJ083298 19-Hydroxyingol; 7-Phenylacetyl, 3,19-di-Ac C32H40O10 584.262147 NA MeJP NA NA +MJ083299 Detigloylswietenine; 2?-Hydroxy, 3-tigloyl C32H40O10 584.262147 NA MeJP NA NA +MJ083300 Detigloylswietenine; 8?,30?-Epoxide, 3-tigloyl C32H40O10 584.262147 NA MeJP NA NA +MJ083301 Xylocarpin; 3-O-De-Ac, 3-O-tigloyl, 2-hydroxy C32H40O10 584.262147 NA MeJP NA NA +MJ083302 Xylocarpin; 6R-Hydroxy, O-de-Ac, 3-O-tigloyl C32H40O10 584.262147 NA MeJP NA NA +PJ006833 ATCKY C25H40N6O8S 584.2628 NA PeJP NA NA +PJ006834 GSKMY C25H40N6O8S 584.2629 NA PeJP NA NA +EUR562 bilirubin NA 584.263175 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR562 bilirubin [M+H]+ 584.263175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR562 bilirubin NA 584.263175 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR562 bilirubin [M+H]+ 584.263175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR562 bilirubin NA 584.263175 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR562 bilirubin [M+H]+ 584.263175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR562 bilirubin NA 584.263175 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR562 bilirubin NA 584.263175 identifiés dans sérum NuGO HMDB NA NA +EUR562 bilirubin NA 584.263175 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR562 bilirubin [M+H]+ 584.263175 identifies dans serum NuGO Inhousejuil11 NA NA +EUR562 bilirubin NA 584.263175 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR562 bilirubin NA 584.263175 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +MJ083303 Bilirubin C33H36N4O6 584.263484 NA MeJP NA NA +HMDB00054 Bilirubin C33H36N4O6 584.263489 NA HMDB2010 NA NA +HMDB00488 4E,15Z-Bilirubin IXa C33H36N4O6 584.263489 NA HMDB2010 NA NA +HMDB00054 Bilirubin C33H36N4O6 584.26349 http://www.hmdb.ca/metabolites/HMDB00054 PFEM_hmdb_metabocards_urine NA urine +HMDB00054 Bilirubin C33H36N4O6 584.26349 http://www.hmdb.ca/metabolites/HMDB00054 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00054 Bilirubin C33H36N4O6 584.26349 http://www.hmdb.ca/metabolites/HMDB00054 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00054 Bilirubin C33H36N4O6 584.26349 http://www.hmdb.ca/metabolites/HMDB00054 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00054 Bilirubin C33H36N4O6 584.26349 http://www.hmdb.ca/metabolites/HMDB00054 HMDB NA NA +HMDB00488 4E,15Z-Bilirubin IXa C33H36N4O6 584.26349 http://www.hmdb.ca/metabolites/HMDB00488 HMDB NA NA +HMDB00054 Bilirubin C33H36N4O6 584.26349 http://www.hmdb.ca/metabolites/HMDB00054 PFEM_hmdb_metabocards_blood NA blood +HMDB00054 Bilirubin C33H36N4O6 584.26349 HMDB00054 PFEM_hmdb_metabocards_official NA NA +HMDB00488 4E,15Z-Bilirubin IXa C33H36N4O6 584.26349 HMDB00488 PFEM_hmdb_metabocards_official NA NA +C00486 Bilirubin C33H36N4O6 584.2635 NA KEGG NA NA +C05913 (3Z)-Phytochromobilin C33H36N4O6 584.2635 NA KEGG NA NA +C05914 Bathorhodopsin C20H28R 584.2635 NA KEGG NA NA +C05915 Lumirhodopsin C20H28R 584.2635 NA KEGG NA NA +C05916 Metarhodopsin C20H28R 584.2635 NA KEGG NA NA +C05917 Iodopsin C20H28R 584.2635 NA KEGG NA NA +C11630 15,16-Dihydrobiliverdin C33H36N4O6 584.2635 NA KEGG NA NA +PJ006835 GSEHR C22H36N10O9 584.2667 NA PeJP NA NA +MJ083304 8,8'-Bismurrayamine A; Di-Me ether C38H36N2O4 584.267507 NA MeJP NA NA +MJ083305 Urabaine; N,N'-Di-Me C38H36N2O4 584.267507 NA MeJP NA NA +PJ006836 DKHW C27H36N8O7 584.2707 NA PeJP NA NA +PJ006837 GLQMH C24H40N8O7S 584.2741 NA PeJP NA NA +PJ006838 PPWW C32H36N6O5 584.2747 NA PeJP NA NA +MJ083306 4-Chloro-7(14)-bisabolene-1,2,3,8,10,11-hexol, 10,11-Isopropylidene, 1,8-diangeloyl, 2-Ac C30H45ClO9 584.27521 NA MeJP NA NA +PJ006839 SSTKY C25H40N6O10 584.2806 NA PeJP NA NA +PJ006840 SHRW C26H36N10O6 584.2819 NA PeJP NA NA +MJ083307 1,3,5,11,14,19-Hexahydroxycard-20(22)-enolide, 3-(6-Deoxy-L-taloside) C29H44O12 584.283276 NA MeJP NA NA +MJ083308 1,3,5,11,14,19-Hexahydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H44O12 584.283276 NA MeJP NA NA +MJ083309 1,3,5,11,14,19-Hexahydroxycard-20(22)-enolide, 3-(6-Deoxy-L-taloside) C29H44O12 584.283276 NA MeJP NA NA +MJ083310 1,3,5,11,14,19-Hexahydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside C29H44O12 584.283276 NA MeJP NA NA +C01443 Ouabain C29H44O12 584.2833 NA KEGG NA NA +PJ006841 AAMHR C23H40N10O6S 584.2853 NA PeJP NA NA +MJ083311 Linetastine C35H40N2O6 584.288637 NA MeJP NA NA +PJ006842 ATKEH C24H40N8O9 584.2918 NA PeJP NA NA +PJ006843 SPPER C24H40N8O9 584.2919 NA PeJP NA NA +MJ083312 Antibiotic WS 7338; Antibiotic WS 7338D C29H40N6O7 584.295847 NA MeJP NA NA +MJ083313 Cleromyrin II C29H40N6O7 584.295847 NA MeJP NA NA +PJ006844 SPPVW C29H40N6O7 584.2959 NA PeJP NA NA +MJ083314 5,11-Jatrophadiene-3,7,9,14,15-pentol, 3-Benzoyl, 7,9,14-tri-Ac C33H44O9 584.298533 NA MeJP NA NA +MJ083315 Nimbolinin B; 1-De-Ac C33H44O9 584.298533 NA MeJP NA NA +MJ083316 Nimbolinin B; O7-Detigloyl, O1-de-Ac, O1-tigloyl(12?-) C33H44O9 584.298533 NA MeJP NA NA +MJ083317 Sarothralen B; 3',4'-Dihydro, 3'-hydroxy C33H44O9 584.298533 NA MeJP NA NA +MJ083318 Sarothralin D C33H44O9 584.298533 NA MeJP NA NA +MJ083319 Superphyllinic acid; 4-O-De-Me, 2'-Me ether C33H44O9 584.298533 NA MeJP NA NA +PJ006845 PPLQM C26H44N6O7S 584.2992 NA PeJP NA NA +PJ006846 GAPPLM C26H44N6O7S 584.2993 NA PeJP NA NA +MJ083320 Aralionine C C34H40N4O5 584.29987 NA MeJP NA NA +MJ083321 Scutianine D C34H40N4O5 584.29987 NA MeJP NA NA +PJ006847 ATTHR C23H40N10O8 584.3031 NA PeJP NA NA +PJ006848 GPKHF C28H40N8O6 584.3071 NA PeJP NA NA +MJ083322 Isolappaconitine C32H44N2O8 584.309766 NA MeJP NA NA +MJ083323 Puberanidine; N-Ac C32H44N2O8 584.309766 NA MeJP NA NA +C08694 Lappaconitine C32H44N2O8 584.3098 NA KEGG NA NA +2677 NA GGCRIGPITWVCGG 584.31 MH2+ Inhouse_peptide NA peptide +PJ006849 PPCLR C25H44N8O6S 584.3105 NA PeJP NA NA +C09100 Caracurine V C38H40N4O2 584.3151 NA KEGG NA NA +MJ083324 Caracurine V C38H40N4O2 584.315126 NA MeJP NA NA +MJ083325 Divaricine C38H40N4O2 584.315126 NA MeJP NA NA +MJ083326 Longicaudatine; N4-Oxide C38H40N4O2 584.315126 NA MeJP NA NA +MJ083327 Toxiferine I; Bis(deoxy), di-N-de-Me, N4,N4'-dioxide C38H40N4O2 584.315126 NA MeJP NA NA +PJ006850 PVLQE C26H44N6O9 584.317 NA PeJP NA NA +HMDB02577 Cholic acid glucuronide C30H48O11 584.31964 http://www.hmdb.ca/metabolites/HMDB02577 HMDB NA NA +HMDB02577 Cholic acid glucuronide C30H48O11 584.31964 HMDB02577 PFEM_hmdb_metabocards_official NA NA +HMDB02577 Cholic acid glucuronide C30H48O11 584.319641 NA HMDB2010 NA NA +MJ083328 Cyl-1 C31H44N4O7 584.320999 NA MeJP NA NA +PJ006851 APLER C25H44N8O8 584.3282 NA PeJP NA NA +PJ006852 GGGGPLK C25H44N8O8 584.3283 NA PeJP NA NA +PJ006853 KKFY C30H44N6O6 584.3322 NA PeJP NA NA +MJ083329 Cleromyrine I C30H44N6O6 584.332233 NA MeJP NA NA +PJ006854 GPLLW C30H44N6O6 584.3323 NA PeJP NA NA +C09108 Huratoxin C34H48O8 584.3349 NA KEGG NA NA +C11964 Avermectin A1b aglycone C34H48O8 584.3349 NA KEGG NA NA +C11979 Avermectin B1a aglycone C34H48O8 584.3349 NA KEGG NA NA +MJ083330 18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 6-(2Z,4E-Decadienoyl), 18,19-di-Ac C34H48O8 584.334918 NA MeJP NA NA +MJ083331 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 22-Benzoyl C34H48O8 584.334918 NA MeJP NA NA +MJ083332 Antibiotic S 541; Antibiotic S 541C C34H48O8 584.334918 NA MeJP NA NA +MJ083333 Antibiotic VM 44866 C34H48O8 584.334918 NA MeJP NA NA +MJ083334 Huratoxin C34H48O8 584.334918 NA MeJP NA NA +MJ083335 Petuniasterone D; 12?-Acetoxy, 7-Ac C34H48O8 584.334918 NA MeJP NA NA +MJ083336 Vannusal A C34H48O8 584.334918 NA MeJP NA NA +PJ006855 PPLKM C27H48N6O6S 584.3356 NA PeJP NA NA +PJ006856 GPQKR C24H44N10O7 584.3395 NA PeJP NA NA +MJ083337 Acinetoferrin C28H48N4O9 584.342129 NA MeJP NA NA +MJ083338 Sampsonione I C38H48O5 584.350174 NA MeJP NA NA +MJ083339 Sampsonione J C38H48O5 584.350174 NA MeJP NA NA +PJ006857 PVLKE C27H48N6O8 584.3534 NA PeJP NA NA +PJ006858 SPLLR C26H48N8O7 584.3646 NA PeJP NA NA +MJ083340 Gentinone A C35H52O7 584.371304 NA MeJP NA NA +MJ083341 Milbemycin IV; 23?-Hydroxy, O5-Me C35H52O7 584.371304 NA MeJP NA NA +MJ083342 Nidohottin; 6-Oxo C35H52O7 584.371304 NA MeJP NA NA +PJ006859 GPKKR C25H48N10O6 584.3759 NA PeJP NA NA +PJ006860 VLLLQ C28H52N6O7 584.3898 NA PeJP NA NA +MJ083343 Cholestane-3,6,7,15,24-pentol, 24-O-?-D-Xylopyranoside C32H56O9 584.392433 NA MeJP NA NA +MJ083344 Cholestane-3,6,8,15,24-pentol, 24-O-?-Xylopyranoside C32H56O9 584.392433 NA MeJP NA NA +MJ083345 Cholestane-3,6,8,15,24-pentol, 24-O-?-L-Arabinofuranoside C32H56O9 584.392433 NA MeJP NA NA +PJ006861 ALLLR C27H52N8O6 584.401 NA PeJP NA NA +MJ083346 Bengamide Z; 6-O-Tridecanoyl C31H56N2O8 584.403666 NA MeJP NA NA +MJ083347 Bengamide Z; N-De-Me, 6-O-(12-methyltridecanoyl) C31H56N2O8 584.403666 NA MeJP NA NA +MJ083348 Bengamide Z; N-De-Me, 6-O-tetradecanoyl C31H56N2O8 584.403666 NA MeJP NA NA +MJ083349 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3,23-Isopropylidene, 2-Ac, Me ester C36H56O6 584.407689 NA MeJP NA NA +MJ083350 Maeganedin A C37H52N4O2 584.409026 NA MeJP NA NA +C08579 Antheraxanthin C40H56O3 584.4229 NA KEGG NA NA +C08584 Capsanthin C40H56O3 584.4229 NA KEGG NA NA +C08594 Flavoxanthin C40H56O3 584.4229 NA KEGG NA NA +C08602 Lutein 5,6-epoxide C40H56O3 584.4229 NA KEGG NA NA +C15919 Myxol C40H56O3 584.4229 NA KEGG NA NA +C15920 Heparin binding peptide C40H56O3 584.4229 NA KEGG NA NA +C15921 Histatin 5 C40H56O3 584.4229 NA KEGG NA NA +C15922 Indolicidin C40H56O3 584.4229 NA KEGG NA NA +C16282 Caloxanthin C40H56O3 584.4229 NA KEGG NA NA +MJ083351 4,5'-Retro-?,?-carotene-3,3',5'-triol C40H56O3 584.422945 NA MeJP NA NA +MJ083352 5,8-Epoxy-5,8-dihydro-?,?-carotene-3,3'-diol C40H56O3 584.422945 NA MeJP NA NA +MJ083353 ?,?-Carotene-3,3',4-triol C40H56O3 584.422945 NA MeJP NA NA +MJ083354 ?,?-Carotene-3,4,4'-triol C40H56O3 584.422945 NA MeJP NA NA +MJ083355 ?,?-Carotene-3,3',4-triol C40H56O3 584.422945 NA MeJP NA NA +MJ083356 Antheraxanthin C40H56O3 584.422945 NA MeJP NA NA +MJ083357 Capsanthin C40H56O3 584.422945 NA MeJP NA NA +MJ083358 Cryptoxanthin 5,6:5',8'-diepoxide C40H56O3 584.422945 NA MeJP NA NA +MJ083359 Cucurbitaxanthin A C40H56O3 584.422945 NA MeJP NA NA +MJ083360 Deepoxyneoxanthin C40H56O3 584.422945 NA MeJP NA NA +MJ083361 Loroxanthin C40H56O3 584.422945 NA MeJP NA NA +MJ083362 Lutein epoxide C40H56O3 584.422945 NA MeJP NA NA +MJ083363 Micromonol; 19'-Aldehyde C40H56O3 584.422945 NA MeJP NA NA +MJ083364 Mutatoxanthin C40H56O3 584.422945 NA MeJP NA NA +MJ083365 Myxol C40H56O3 584.422945 NA MeJP NA NA +MJ083366 Nostoxanthin; 2'-Deoxy C40H56O3 584.422945 NA MeJP NA NA +MJ083367 Plectaniaxanthin, 2?-Hydroxy C40H56O3 584.422945 NA MeJP NA NA +MJ083368 Pyrenoxanthin C40H56O3 584.422945 NA MeJP NA NA +MJ083369 Triphasiaxanthin C40H56O3 584.422945 NA MeJP NA NA +MJ083370 Violaxanthin, Monodeoxy C40H56O3 584.422945 NA MeJP NA NA +MJ083371 2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone C40H56O3 584.422945 NA MeJP NA NA +MetaCyc03915 capsanthin [] C40H56O3 584.422946 NA metacyc NA NA +MetaCyc03916 antheraxanthin [] C40H56O3 584.422946 NA metacyc NA NA +PJ006862 VLLLK C29H56N6O6 584.4262 NA PeJP NA NA +C08553 PM-Toxin A C33H60O8 584.4288 NA KEGG NA NA +MJ083372 4,12,20,28-Tetrahydroxy-2,10,18,26-tritriacontanetetrone C33H60O8 584.428818 NA MeJP NA NA +MJ083373 Antibiotic X 14889A C33H60O8 584.428818 NA MeJP NA NA +MJ083374 3-(3,7-Dimethyl-5-oxo-2,6-octadienyl)-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde; 5'-Deoxo, 1'-O-octadecanoyl C37H60O5 584.444075 NA MeJP NA NA +MJ083375 4,11-Eudesmanediol; 4?-form, 4-[15-Acetoxy-8(17),13E-labdadien-19-oyl] ester C37H60O5 584.444075 NA MeJP NA NA +MJ083376 Polyporenic acid A; 3-Hexanoyl C37H60O5 584.444075 NA MeJP NA NA +HMDB07056 DG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C37H60O5 584.444092 NA HMDB2010 NA NA +HMDB07560 DG(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)/0:0) C37H60O5 584.444092 NA HMDB2010 NA NA +C15878 Rhodovibrin C41H60O2 584.4593 NA KEGG NA NA +MJ083377 1,2-Dihydro-1-methoxy-?,?-caroten-4-one; 7',8'-Dihydro C41H60O2 584.459331 NA MeJP NA NA +MJ083378 2-Methyl-2-(polyprenylmethyl)-2H-1-benzopyran-6-ol; 2-(Hexaprenylmethyl)-2-methyl-2H-1-benzopyran-6-ol C41H60O2 584.459331 NA MeJP NA NA +MJ083379 Bacteriopurpurin; 3,4-Dihydro C41H60O2 584.459331 NA MeJP NA NA +MJ083380 16-Kaurene-7,18-diol, 18-Hexadecanoyl, 7-Ac C38H64O4 584.48046 NA MeJP NA NA +MJ083381 3-(4-Hydroxyphenyl)-2-propenoic acid, Triacontyl ester C39H68O3 584.516846 NA MeJP NA NA +C07596 HLo7 C15H17N5O4 584.937 NA KEGG NA NA +MJ083382 Deacylconvolutamide; N-(9Z-Hexadecenoyl) C26H37Br2NO4 585.108933 NA MeJP NA NA +PJ006863 CCDDM C19H31N5O10S3 585.1233 NA PeJP NA NA +PJ006864 GSCCCN C18H31N7O9S3 585.1346 NA PeJP NA NA +MJ083383 [1,1,1-Tris[(5-methoxysalicylaldiminato)methyl]ethane]gallium C29H30GaN3O6 585.139041 NA MeJP NA NA +PJ006865 SCDMM C20H35N5O9S3 585.1597 NA PeJP NA NA +C11375 SN38 glucuronide carboxylate form C28H29N2O12 585.172 NA KEGG NA NA +PJ006866 GCDEY C23H31N5O11S 585.1741 NA PeJP NA NA +MJ083384 Astin; Astin A C25H33Cl2N5O7 585.175703 NA MeJP NA NA +MJ083385 Astin; Astin B C25H33Cl2N5O7 585.175703 NA MeJP NA NA +PJ006867 ACMMM C21H39N5O6S4 585.1783 NA PeJP NA NA +PJ006868 SCCHH C21H31N9O7S2 585.1788 NA PeJP NA NA +MJ083386 Antibiotic D 788-9 C29H31NO12 585.184625 NA MeJP NA NA +MJ083387 Daunomycin; N-(Methoxycarbonyl) C29H31NO12 585.184625 NA MeJP NA NA +PJ006869 PCDDH C22H31N7O10S 585.1853 NA PeJP NA NA +PJ006870 CDYW C27H31N5O8S 585.1894 NA PeJP NA NA +MJ083388 Amprenavir; 2-Phosphate C25H36N3O9PS 585.190986 NA MeJP NA NA +PJ006871 SSDDY C23H31N5O13 585.1919 NA PeJP NA NA +PJ006872 PTCCY C24H35N5O8S2 585.1927 NA PeJP NA NA +PJ006873 SSMMM C21H39N5O8S3 585.1961 NA PeJP NA NA +PJ006874 GDEEH C22H31N7O12 585.2031 NA PeJP NA NA +PJ006875 CMFW C28H35N5O5S2 585.208 NA PeJP NA NA +C07482 Montelukast C35H36ClNO3S 585.2104 NA KEGG NA NA +C07483 Transferred to D00529 C35H36ClNO3S 585.2104 NA KEGG NA NA +MJ083389 Montelukast C35H36ClNO3S 585.210442 NA MeJP NA NA +PJ006876 GSEMY C24H35N5O10S 585.2105 NA PeJP NA NA +PJ006877 SNNDH C21H31N9O11 585.2143 NA PeJP NA NA +PJ006878 DEHW C26H31N7O9 585.2184 NA PeJP NA NA +MJ083390 Epelmycin C; 4A-O-Deglycosyl C30H35NO11 585.22101 NA MeJP NA NA +MJ083391 Griseusin B, 4-Hydroxy, lactone, 3'-O-[?-D-2,3,4,6-tetradeoxy-4-(dimethylamino)-erythro-hexopyranoside] C30H35NO11 585.22101 NA MeJP NA NA +MJ083392 Nocardicyclin A C30H35NO11 585.22101 NA MeJP NA NA +MJ083393 Pyrromycin C30H35NO11 585.22101 NA MeJP NA NA +PJ006879 SPDMH C23H35N7O9S 585.2217 NA PeJP NA NA +PJ006880 SMYW C28H35N5O7S 585.2257 NA PeJP NA NA +PJ006881 SSTEY C24H35N5O12 585.2282 NA PeJP NA NA +PJ006882 AAMMY C25H39N5O7S2 585.2291 NA PeJP NA NA +MJ083394 Pecocycline C29H35N3O10 585.232244 NA MeJP NA NA +PJ006883 ACQQH C22H35N9O8S 585.2329 NA PeJP NA NA +PJ006884 GNQMH C22H35N9O8S 585.233 NA PeJP NA NA +PJ006885 ATEEH C23H35N7O11 585.2395 NA PeJP NA NA +PJ006886 APMMH C24H39N7O6S2 585.2403 NA PeJP NA NA +PJ006887 GSPYY C28H35N5O9 585.2435 NA PeJP NA NA +PJ006888 GCNHR C21H35N11O7S 585.2442 NA PeJP NA NA +PJ006889 ATTMY C25H39N5O9S 585.2469 NA PeJP NA NA +MJ083395 Bluensomycin C21H39N5O14 585.24935 NA MeJP NA NA +C17573 Bluensomycin C21H39N5O14 585.2494 NA KEGG NA NA +PJ006890 SSQQH C22H35N9O10 585.2507 NA PeJP NA NA +PJ006891 GPEHF C27H35N7O8 585.2547 NA PeJP NA NA +PJ006892 GLEMH C24H39N7O8S 585.2581 NA PeJP NA NA +PJ006893 AFYW C32H35N5O6 585.2588 NA PeJP NA NA +MJ083396 5'-Hydroxy-2''-N-demethyldihydrostreptomycin C20H39N7O13 585.260584 NA MeJP NA NA +PJ006894 AAMFF C29H39N5O6S 585.2621 NA PeJP NA NA +PJ006895 TTTTY C25H39N5O11 585.2646 NA PeJP NA NA +PJ006896 PPCNR C23H39N9O7S 585.2693 NA PeJP NA NA +PJ006897 GGPPCR C23H39N9O7S 585.2694 NA PeJP NA NA +PJ006898 PHFW C31H35N7O5 585.27 NA PeJP NA NA +PJ006899 LMHW C28H39N7O5S 585.2734 NA PeJP NA NA +PJ006900 STLEH C24H39N7O10 585.2759 NA PeJP NA NA +PJ006901 GVHHH C25H35N11O6 585.2772 NA PeJP NA NA +8244 Antioxidative peptide GWNIP 585.2789 NA ;SYN:(+)-Aspartate; (+)-Aspartic acid; (2S)-Aspartate; (2S)-Aspartic acid; (L)-Aspartate; (L)-Aspartic acid; (R)-2-aminosuccinate; (S)-(+)-Aspartate; (S)-(+)-Aspartic acid; (S)-2-aminosuccinate; (S)-2-aminosuccinic acid; (S)-Aminobutanedioate; (S)-Aminobutanedioic acid; (S)-Aspartate; (S)-Aspartic acid; (S)-amino-Butanedioate; (S)-amino-Butanedioic acid; 2-Amino-3-methylsuccinate; 2-Amino-3-methylsuccinic acid; 2-Aminosuccinate; 2-Aminosuccinic acid; Aminosuccinate; Asp; Asparagate; Asparagic acid; Asparaginate; Asparaginic acid; Asparatate; Aspartate; H-Asp-OH; L-(+)-Aspartate; L-(+)-Aspartic acid; L-Aminosuccinate; L-Aminosuccinic acid; L-Asparagate; L-Asparagic acid; L-Asparaginate; L-Asparaginic acid; L-Aspartate; alpha-Aminosuccinate; alpha-Aminosuccinic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +MJ083397 4,7-Bis(dimethylamino)-9-[[[(1,1-dimethylethyl)amino]acetyl]amino]-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide C29H39N5O8 585.279863 NA MeJP NA NA +C12012 Tigecycline C29H39N5O8 585.2799 NA KEGG NA NA +PJ006902 LQYY C29H39N5O8 585.2799 NA PeJP NA NA +7571 ACE inhibitor from myosin heavy chain MNPPK 585.2813 antioxidative Inhouse_peptide NA peptide +PJ006903 PPLEM C26H43N5O8S 585.2833 NA PeJP NA NA +7719 NA EPAWSNLGIW~ 585.28445 MH2+ Inhouse_peptide NA peptide +C06820 Amikacin C22H43N5O13 585.2857 NA KEGG NA NA +MJ083398 Amikacin C22H43N5O13 585.285736 NA MeJP NA NA +PJ006904 GPQER C23H39N9O9 585.2871 NA PeJP NA NA +PJ006905 HHHR C24H35N13O5 585.2884 NA PeJP NA NA +PJ006906 GPVQW C28H39N7O7 585.2911 NA PeJP NA NA +MJ083399 Pyroaconitine C32H43NO9 585.293781 NA MeJP NA NA +PJ006907 SVLMH C25H43N7O7S 585.2945 NA PeJP NA NA +PJ006908 PVLEE C26H43N5O10 585.301 NA PeJP NA NA +PJ006909 PQRW C27H39N9O6 585.3024 NA PeJP NA NA +MJ083400 Terdecamycin C31H43N3O8 585.305015 NA MeJP NA NA +PJ006910 ACKKH C24H43N9O6S 585.3057 NA PeJP NA NA +EUR918 Lyso PE 22:6 [M-H+acetate]- C27H44NO7P 585.306642 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR918 Lyso PE 22:6 [M-H+acetate]- C27H44NO7P 585.306642 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR918 Lyso PE 22:6 [M-H+acetate]- C27H44NO7P 585.306642 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR918 Lyso PE 22:6 [M-H+acetate]- C27H44NO7P 585.306642 masses lipides attendues Inhousejuil11 NA NA +PJ006911 PVNKE C25H43N7O9 585.3122 NA PeJP NA NA +PJ006912 GGPVKE C25H43N7O9 585.3123 NA PeJP NA NA +MJ083401 Nummularine P; N?-Formyl C30H43N5O7 585.316248 NA MeJP NA NA +PJ006913 LKYY C30H43N5O7 585.3163 NA PeJP NA NA +MJ083402 Matlystatin A1; N-Deoxy C27H47N5O7S 585.319619 NA MeJP NA NA +PJ006914 GPKER C24H43N9O8 585.3235 NA PeJP NA NA +PJ006915 GPVKW C29H43N7O6 585.3275 NA PeJP NA NA +MJ083403 Chasmanine; 14-O-(4-Methoxybenzoyl) C33H47NO8 585.330167 NA MeJP NA NA +PJ006916 GPTRR C23H43N11O7 585.3347 NA PeJP NA NA +PJ006917 PKRW C28H43N9O5 585.3387 NA PeJP NA NA +MJ083404 Janthitrem E; 10-Ketone, 22-deoxy C37H47NO5 585.345423 NA MeJP NA NA +MJ083405 Janthitrem E; 34-Deoxy, 34,35-didehydro C37H47NO5 585.345423 NA MeJP NA NA +MJ083406 Penitremone C C37H47NO5 585.345423 NA MeJP NA NA +PJ006918 PVDKK C26H47N7O8 585.3486 NA PeJP NA NA +PJ006919 GGGVVVV C26H47N7O8 585.3487 NA PeJP NA NA +MJ083407 Antibiotic B 2847à L C30H51NO10 585.351296 NA MeJP NA NA +PJ006920 PPLLF C31H47N5O6 585.3527 NA PeJP NA NA +PJ006921 PLLLM C28H51N5O6S 585.356 NA PeJP NA NA +PJ006922 SPVKR C25H47N9O7 585.3599 NA PeJP NA NA +MJ083408 Angiolam A; 6'-Ketone C34H51NO7 585.366552 NA MeJP NA NA +3618 NA KTPKI 585.371 ACE inhibitor Inhouse_peptide NA peptide +PJ006923 AALRR C24H47N11O6 585.3711 NA PeJP NA NA +PJ006924 VLLLE C28H51N5O8 585.3738 NA PeJP NA NA +EUR920 Lyso PE 24:1 [M+Na]+ C29H58NO7P 585.377038 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR920 Lyso PE 24:1 [M+Na]+ C29H58NO7P 585.377038 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR920 Lyso PE 24:1 [M+Na]+ C29H58NO7P 585.377038 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR920 Lyso PE 24:1 [M+Na]+ C29H58NO7P 585.377038 masses lipides attendues Inhousejuil11 NA NA +MJ083409 Myrophine C38H51NO4 585.381809 NA MeJP NA NA +PJ006925 VRRR C23H47N13O5 585.3823 NA PeJP NA NA +PJ006926 PTLKK C27H51N7O7 585.385 NA PeJP NA NA +PJ006927 GLLKR C26H51N9O6 585.3963 NA PeJP NA NA +PJ006928 VVLKK C28H55N7O6 585.4214 NA PeJP NA NA +2978 kinetensin IARRHPYFL 585.82395 MH2+ Inhouse_peptide NA peptide +MJ083410 Fludazonium(1+), Chloride C26H20Cl5FN2O2 585.995144 NA MeJP NA NA +C08105 Cefonicid sodium C18H16N6O8S3 585.9987 NA KEGG NA NA +MJ083411 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-(O-Sulfo-?-D-glucuronopyranoside) C23H22O16S 586.062855 NA MeJP NA NA +MJ083412 Bartramiaflavone C30H18O13 586.07474 NA MeJP NA NA +MJ083413 3,3',4',5,7-Pentahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?2)-?-L-arabinopyranoside] C27H22O15 586.09587 NA MeJP NA NA +FL5FACGS0047 Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside) C27H22O15 586.09587 128700-95-8 knapsack NA NA +MJ083414 ?-Actinorhodin C31H22O12 586.111126 NA MeJP NA NA +PJ006929 GSCCCD C18H30N6O10S3 586.1186 NA PeJP NA NA +FL2FAAGS0010 Prunin 6''-O-gallate C28H26O14 586.13225 54835-98-2 knapsack NA NA +MJ083415 4',5,7-Trihydroxyflavanone, 7-O-[3,4,5-Trihydroxybenzoyl-(?3)-?-D-glucopyranoside] C28H26O14 586.132255 NA MeJP NA NA +MJ083416 4',5,7-Trihydroxyflavanone, 7-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C28H26O14 586.132255 NA MeJP NA NA +PJ006930 CCCQM C19H34N6O7S4 586.1372 NA PeJP NA NA +MJ083417 Protosappanin E1 C32H26O11 586.147511 NA MeJP NA NA +PJ006931 CCCCR C18H34N8O6S4 586.1484 NA PeJP NA NA +PJ006932 GSSCCM C19H34N6O9S3 586.155 NA PeJP NA NA +C09767 Amarogentin C29H30O13 586.1686 NA KEGG NA NA +C10870 Phyllanthostatin A C29H30O13 586.1686 NA KEGG NA NA +MJ083418 3,5-Di-O-caffeoylquinic acid; 1-O-(2-Methylpropanoyl) C29H30O13 586.168641 NA MeJP NA NA +MJ083419 Phyllanthostatin A C29H30O13 586.168641 NA MeJP NA NA +MJ083420 Sweroside; 2'-O-(3,3',5-Trihydroxy-2-biphenylcarboxylate) C29H30O13 586.168641 NA MeJP NA NA +PJ006933 SSSTCC C19H34N6O11S2 586.1727 NA PeJP NA NA +PJ006934 CCCKM C20H38N6O6S4 586.1736 NA PeJP NA NA +MJ083421 Cordifoline C28H30N2O12 586.179874 NA MeJP NA NA +MJ083422 Santalin Y C33H30O10 586.183897 NA MeJP NA NA +MJ083423 Polyoxin K C22H30N6O13 586.187085 NA MeJP NA NA +PJ006935 GCNMY C23H34N6O8S2 586.188 NA PeJP NA NA +MJ083424 2-[[[1-(7-Chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl]carbonyl]amino]tricyclo[3.3.1.13,7]decane-2-carboxylic acid C32H31ClN4O5 586.198297 NA MeJP NA NA +PJ006936 SNDDH C21H30N8O12 586.1983 NA PeJP NA NA +PJ006937 GGSDDH C21H30N8O12 586.1984 NA PeJP NA NA +MJ083425 Blestrianol B; 9',10'-Didehydro C37H30O7 586.199153 NA MeJP NA NA +PJ006938 PCCQH C22H34N8O7S2 586.1992 NA PeJP NA NA +MJ083426 5,6-Dibromocholestan-3-ol, Ac C29H48Br2O2 586.202106 NA MeJP NA NA +MJ083427 Physalin E; 7-Ac C30H34O12 586.205026 NA MeJP NA NA +MJ083428 Quiflapon C34H35ClN2O3S 586.205691 NA MeJP NA NA +PJ006939 SSCQY C23H34N6O10S 586.2057 NA PeJP NA NA +MJ083429 7-Hydro-8-methylpteroylglutamylglutamic acid C25H30N8O9 586.213574 NA MeJP NA NA +PJ006940 GNEMH C22H34N8O9S 586.217 NA PeJP NA NA +MJ083430 6,6'-[Oxybis(tetrahydro-2H-pyran-2,5-diyl)]bis[2-methoxy-7-methyl-1,4-naphthalenedione] C34H34O9 586.220282 NA MeJP NA NA +PJ006941 GCNFF C27H34N6O7S 586.221 NA PeJP NA NA +MJ083431 2-Amino-2-deoxy-?-D-glucopyranosyl-(1?3)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-glucose; N,N'-Di-Ac C22H38N2O16 586.222133 NA MeJP NA NA +MJ083432 2-Amino-2-deoxy-?-D-glucopyranosyl-(1?3)-[2-amino-2-deoxy-?-D-glucopyranosyl-(1?6)]-D-galactose; N,N'-Di-Ac C22H38N2O16 586.222133 NA MeJP NA NA +MJ083433 2-Amino-2-deoxy-?-D-glucopyranosyl-(1?6)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-glucose; N,N'-Di-Ac C22H38N2O16 586.222133 NA MeJP NA NA +MJ083434 2-Amino-2-deoxy-?-D-galactopyranosyl-(1?3)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-glucose; N,N'-Di-Ac C22H38N2O16 586.222133 NA MeJP NA NA +MJ083435 2-Amino-2-deoxy-?-D-galactopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-2-amino-2-deoxy-D-glucose; N,N'-Di-Ac C22H38N2O16 586.222133 NA MeJP NA NA +MJ083436 2-Amino-2-deoxy-?-D-galactopyranosyl-(1?4)-?-D-galactopyranosyl-(1?4)-2-amino-2-deoxy-D-glucose; N,N'-Di-Ac C22H38N2O16 586.222133 NA MeJP NA NA +PJ006942 GSSSSY C23H34N6O12 586.2235 NA PeJP NA NA +PJ006943 ACCKY C24H38N6O7S2 586.2244 NA PeJP NA NA +MJ083437 Laciniatoside V C27H38O14 586.226155 NA MeJP NA NA +MJ083438 Sylvestroside IV; 3?-Alcohol (lactol) C27H38O14 586.226155 NA MeJP NA NA +MJ083439 Sylvestroside IV; 7'-Alcohol C27H38O14 586.226155 NA MeJP NA NA +PJ006944 EEFY C28H34N4O10 586.2275 NA PeJP NA NA +PJ006945 GCDHR C21H34N10O8S 586.2282 NA PeJP NA NA +PJ006946 NMHW C26H34N8O6S 586.2322 NA PeJP NA NA +PJ006947 SSQEH C22H34N8O11 586.2347 NA PeJP NA NA +PJ006948 GGGGGGPE C22H34N8O11 586.2348 NA PeJP NA NA +PJ006949 PCCKH C23H38N8O6S2 586.2356 NA PeJP NA NA +PJ006950 NQYY C27H34N6O9 586.2387 NA PeJP NA NA +PJ006951 GGGAYY C27H34N6O9 586.2388 NA PeJP NA NA +C11900 Baccatin III C31H38O11 586.2414 NA KEGG NA NA +MJ083440 21-Hydroxytoonacilide C31H38O11 586.241412 NA MeJP NA NA +MJ083441 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 13-Ketone, 2-benzoyl, 4,10-di-Ac C31H38O11 586.241412 NA MeJP NA NA +MJ083442 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 1,4-di-Ac C31H38O11 586.241412 NA MeJP NA NA +MJ083443 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 4,10-di-Ac C31H38O11 586.241412 NA MeJP NA NA +MJ083444 Angolensic acid; 6,12?-Diacetoxy, Me ester C31H38O11 586.241412 NA MeJP NA NA +MJ083445 Buddlenol B; 7,8-Dihydro C31H38O11 586.241412 NA MeJP NA NA +MJ083446 Humilinolide C; 6R-Acetoxy, 2,3-dideacyl, 3-Ac C31H38O11 586.241412 NA MeJP NA NA +MJ083447 Severinolide C31H38O11 586.241412 NA MeJP NA NA +MJ083448 Tyledoside F; 2'-Ketone, 12-oxo C31H38O11 586.241412 NA MeJP NA NA +MetaCyc03917 baccatin III [] C31H38O11 586.241412 NA metacyc NA NA +PJ006952 SSCKY C24H38N6O9S 586.2421 NA PeJP NA NA +MJ083449 Urabaine; 3-Methoxy C37H34N2O5 586.246772 NA MeJP NA NA +MJ083450 Antibiotic FR 183737 C26H42N4O7S2 586.249491 NA MeJP NA NA +PJ006953 GSTHW C26H34N8O8 586.25 NA PeJP NA NA +PJ006954 PPCDR C23H38N8O8S 586.2534 NA PeJP NA NA +PJ006955 GPPMW C28H38N6O6S 586.2574 NA PeJP NA NA +PJ006956 PVNEE C24H38N6O11 586.2599 NA PeJP NA NA +MJ083451 11-Taxene-1,2,4,5,7,9,10,13,20-nonol, 7,9,10,13-Tetra-Ac C28H42O13 586.262541 NA MeJP NA NA +MJ083452 Javanicinoside K C28H42O13 586.262541 NA MeJP NA NA +MJ083453 Pipacycline C29H38N4O9 586.263878 NA MeJP NA NA +PJ006957 LEYY C29H38N4O9 586.2639 NA PeJP NA NA +PJ006958 GSMHR C22H38N10O7S 586.2646 NA PeJP NA NA +PJ006959 HHFF C30H34N8O5 586.2652 NA PeJP NA NA +MJ083454 Vincamajine; O-(3,4,5-Trimethoxycinnamoyl) C34H38N2O7 586.267901 NA MeJP NA NA +PJ006960 GPEER C23H38N8O10 586.2711 NA PeJP NA NA +PJ006961 GPVEW C28H38N6O8 586.2751 NA PeJP NA NA +MJ083455 Azedarachin C C32H42O10 586.277797 NA MeJP NA NA +MJ083456 EP6 C32H42O10 586.277797 NA MeJP NA NA +MJ083457 Gnidilatidin; 12-Debenzoyl, 12-Ac C32H42O10 586.277797 NA MeJP NA NA +MJ083458 Heudebolin C32H42O10 586.277797 NA MeJP NA NA +MJ083459 Isoazadirolide C32H42O10 586.277797 NA MeJP NA NA +MJ083460 Khivorin C32H42O10 586.277797 NA MeJP NA NA +MJ083461 Nimbocinolide C32H42O10 586.277797 NA MeJP NA NA +PJ006962 PPDKM C25H42N6O8S 586.2785 NA PeJP NA NA +C05786 (3Z)-Phycocyanobilin C33H38N4O6 586.2791 NA KEGG NA NA +C05912 (3Z)-Phycoerythrobilin C33H38N4O6 586.2791 NA KEGG NA NA +C16641 Irinotecan C33H38N4O6 586.2791 NA KEGG NA NA +MJ083462 1-[2-Methoxy-4-[[1-[(2-methyl-1-oxido-3-pyridinyl)methyl]-4-piperidinyl]oxy]benzoyl]-4-(2-oxo-2H-3,1-benzoxazin-1(4H)-yl)piperidine C33H38N4O6 586.279134 NA MeJP NA NA +MJ083463 Irinotecan C33H38N4O6 586.279134 NA MeJP NA NA +MetaCyc03918 (3Z)-phycoerythrobilin [] C33H38N4O6 586.279135 NA metacyc NA NA +PJ006963 SSTHR C22H38N10O9 586.2823 NA PeJP NA NA +PJ006964 GGSPNR C22H38N10O9 586.2824 NA PeJP NA NA +PJ006965 PERW C27H38N8O7 586.2864 NA PeJP NA NA +MJ083464 15-Anhydrothyrsiferol; 10-Epimer C30H51BrO6 586.286902 NA MeJP NA NA +MJ083465 15-Anhydrothyrsiferol; 18,19-Diepimer C30H51BrO6 586.286902 NA MeJP NA NA +MJ083466 15-Anhydrothyrsiferol; ?15(28)-Isomer C30H51BrO6 586.286902 NA MeJP NA NA +MJ083467 Enshuol C30H51BrO6 586.286902 NA MeJP NA NA +MJ083468 Isodehydrothyrsiferol C30H51BrO6 586.286902 NA MeJP NA NA +PJ006966 SPPMR C24H42N8O7S 586.2897 NA PeJP NA NA +PJ006967 PVWW C32H38N6O5 586.2904 NA PeJP NA NA +PJ006968 PVDKE C25H42N6O10 586.2963 NA PeJP NA NA +PJ006969 QHFR C26H38N10O6 586.2976 NA PeJP NA NA +20 Hemoglobin WVPSV 586.3 celiac toxic Inhouse_peptide NA peptide +PJ006970 SPVER C24H42N8O9 586.3075 NA PeJP NA NA +PJ006971 APTLW C29H42N6O7 586.3115 NA PeJP NA NA +MJ083469 Havanensin; 16-Oxo, 1-Ac, 7-O-(2-hydroxy-3-methylbutanoyl) C33H46O9 586.314183 NA MeJP NA NA +MJ083470 Plagiochiline I; 13-(2E,4E,8Z-Tetradecatrienoyloxy), 12-hydroxy, Ac C33H46O9 586.314183 NA MeJP NA NA +MJ083471 Sordaricin; O-[2Z,4E-Hexadienoyl-(?3)-6-deoxy-4-O-methyl-?-D-altropyranoside] C33H46O9 586.314183 NA MeJP NA NA +C11954 5-Oxoavermectin ''2b'' aglycone C33H46O9 586.3142 NA KEGG NA NA +PJ006972 PVLQM C26H46N6O7S 586.3149 NA PeJP NA NA +PJ006973 GVQQR C23H42N10O8 586.3187 NA PeJP NA NA +C01230 all-trans-Hexaprenyl diphosphate C30H52O7P2 586.3188 NA KEGG NA NA +C03428 Presqualene diphosphate C30H52O7P2 586.3188 NA KEGG NA NA +C03429 Protein 5-hydroxylysine C7H13N3O3R2 586.3188 NA KEGG NA NA +C17434 di-trans,poly-cis-Hexaprenyl diphosphate C30H52O7P2 586.3188 NA KEGG NA NA +PJ006974 GGGGALR C23H42N10O8 586.3188 NA PeJP NA NA +MJ083472 Presqualene diphosphate C30H52O7P2 586.318827 NA MeJP NA NA +MJ083473 all-trans-Hexaprenyl diphosphate C30H52O7P2 586.318827 NA MeJP NA NA +MJ083474 Presqualene alcohol; Diphosphate C30H52O7P2 586.318827 NA MeJP NA NA +MetaCyc03919 presqualene diphosphate [] C30H52O7P2 586.318827 NA metacyc NA NA +MetaCyc03920 all-trans-hexaprenyl diphosphate [] C30H52O7P2 586.318827 NA metacyc NA NA +HMDB01278 Presqualene diphosphate C30H52O7P2 586.318848 NA HMDB2010 NA NA +HMDB12188 All-trans-hexaprenyl diphosphate C30H52O7P2 586.318848 NA HMDB2010 NA NA +HMDB01278 Presqualene diphosphate C30H52O7P2 586.31885 http://www.hmdb.ca/metabolites/HMDB01278 HMDB NA NA +HMDB01278 Presqualene diphosphate C30H52O7P2 586.31885 HMDB01278 PFEM_hmdb_metabocards_official NA NA +3692 NA EIPKT 586.319 ACE inhibitor Inhouse_peptide NA peptide +3693 NA TKPIE 586.319 ACE inhibitor Inhouse_peptide NA peptide +PJ006975 APPFR C28H42N8O6 586.3228 NA PeJP NA NA +C08659 Anthranoyllycoctonine C32H46N2O8 586.3254 NA KEGG NA NA +MJ083475 Delvestine C32H46N2O8 586.325416 NA MeJP NA NA +MJ083476 Lycoctonine; 18-O-(2-Aminobenzoyl) C32H46N2O8 586.325416 NA MeJP NA NA +PJ006976 APLMR C25H46N8O6S 586.3261 NA PeJP NA NA +MJ083477 Gambogin C37H46O6 586.329439 NA MeJP NA NA +PJ006977 QQRR C22H42N12O7 586.33 NA PeJP NA NA +MJ083478 C-Alkaloid D; Di-N-de-Me C38H42N4O2 586.330776 NA MeJP NA NA +MJ083479 Longicaudatine Z; 17'-Deoxy, 16',17'-didehydro, 18'-hydroxy C38H42N4O2 586.330776 NA MeJP NA NA +MJ083480 Matopensine; 18-Hydroxy C38H42N4O2 586.330776 NA MeJP NA NA +MJ083481 Matopensine; Mono-N-oxide C38H42N4O2 586.330776 NA MeJP NA NA +PJ006978 PTLKE C26H46N6O9 586.3326 NA PeJP NA NA +PJ006979 VVLQE C26H46N6O9 586.3327 NA PeJP NA NA +PJ006980 KHFR C27H42N10O5 586.334 NA PeJP NA NA +MJ083482 Byssomeruliol A; 12'-O-D-Mannopyranoside C30H50O11 586.335312 NA MeJP NA NA +MJ083483 Byssomeruliol A; 14'-O-D-Mannopyranoside C30H50O11 586.335312 NA MeJP NA NA +PJ006981 GLLER C25H46N8O8 586.3439 NA PeJP NA NA +PJ006982 GVLLW C30H46N6O6 586.3479 NA PeJP NA NA +MJ083484 6,6'-Biembelin C34H50O8 586.350568 NA MeJP NA NA +MJ083485 Onchitriol I; 4,13-Diepimer, 15-Ac C34H50O8 586.350568 NA MeJP NA NA +MJ083486 Tetronomycin C34H50O8 586.350568 NA MeJP NA NA +C11969 6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2a'' aglycone C34H50O8 586.3506 NA KEGG NA NA +PJ006983 PVLKM C27H50N6O6S 586.3513 NA PeJP NA NA +PJ006984 GVQKR C24H46N10O7 586.3551 NA PeJP NA NA +PJ006985 LLRW C29H46N8O5 586.3591 NA PeJP NA NA +MJ083487 Sampsonione A C38H50O5 586.365824 NA MeJP NA NA +MJ083488 Sampsonione D; 22,23-Dihydro, 22-hydroxy C38H50O5 586.365824 NA MeJP NA NA +MJ083489 Sampsonione F C38H50O5 586.365824 NA MeJP NA NA +MJ083490 Sampsonione K C38H50O5 586.365824 NA MeJP NA NA +MJ083491 Sampsonione M C38H50O5 586.365824 NA MeJP NA NA +PJ006986 QKRR C23H46N12O6 586.3664 NA PeJP NA NA +PJ006987 VVLKE C27H50N6O8 586.369 NA PeJP NA NA +MJ083492 Sansalvamide C32H50N4O6 586.373035 NA MeJP NA NA +PJ006988 SVLLR C26H50N8O7 586.3803 NA PeJP NA NA +MJ083493 12-Oleanene-3,16,21,22,23,28-hexol, 23-Aldehyde, 22-angeloyl C35H54O7 586.386954 NA MeJP NA NA +MJ083494 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 2-Me ether, 3,23-di-Ac C35H54O7 586.386954 NA MeJP NA NA +MJ083495 3,7,22-Trihydroxylanosta-8,24-dien-26-oic acid, 3,22-Di-Ac, 7-Me ether C35H54O7 586.386954 NA MeJP NA NA +MJ083496 3-Hydroxy-12,18-ursadien-28-oic acid, 3-O-?-D-Xylofuranoside C35H54O7 586.386954 NA MeJP NA NA +MJ083497 Conyaegyptin C35H54O7 586.386954 NA MeJP NA NA +MJ083498 Nidohottin; 6-Hydroxy C35H54O7 586.386954 NA MeJP NA NA +C08957 Ilexolide A C35H54O7 586.387 NA KEGG NA NA +PJ006989 GVKKR C25H50N10O6 586.3915 NA PeJP NA NA +MJ083499 20(29)-Lupene-3,28-diol, 28-O-Aldehyde, 3-O-(4-hydroxy-E-cinnamoyl) C39H54O4 586.40221 NA MeJP NA NA +PJ006990 KKRR C24H50N12O5 586.4027 NA PeJP NA NA +PJ006991 TLLLK C28H54N6O7 586.4054 NA PeJP NA NA +PJ006992 ALKKK C27H54N8O6 586.4167 NA PeJP NA NA +MJ083500 2,3,22-Stictanetriol, Tri-Ac C36H58O6 586.423339 NA MeJP NA NA +MJ083501 4,9,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 13-Hexadecanoyl C36H58O6 586.423339 NA MeJP NA NA +MJ083502 Ingenol; 20-Hexadecanoyl C36H58O6 586.423339 NA MeJP NA NA +MJ083503 Ingenol; 3-Hexadecanoyl C36H58O6 586.423339 NA MeJP NA NA +MJ083504 24-Methylenecycloartan-3-ol, 3-(4-Hydroxy-E-cinnamoyl) C40H58O3 586.438595 NA MeJP NA NA +MJ083505 5,6-Dihydro-?,?-carotene-3,3',5-triol C40H58O3 586.438595 NA MeJP NA NA +MJ083506 Micromonol C40H58O3 586.438595 NA MeJP NA NA +MJ083507 6,14,22,30,32-Pentahydroxy-8,16,24-tritriacontanetrione C33H62O8 586.444468 NA MeJP NA NA +C16785 PM-toxin B C33H62O8 586.4445 NA KEGG NA NA +HMDB07027 DG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C37H62O5 586.459717 NA HMDB2010 NA NA +HMDB07054 DG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C37H62O5 586.459717 NA HMDB2010 NA NA +HMDB07055 DG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C37H62O5 586.459717 NA HMDB2010 NA NA +HMDB07135 DG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C37H62O5 586.459717 NA HMDB2010 NA NA +HMDB07331 DG(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)/0:0) C37H62O5 586.459717 NA HMDB2010 NA NA +HMDB07502 DG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/0:0) C37H62O5 586.459717 NA HMDB2010 NA NA +HMDB07531 DG(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)/0:0) C37H62O5 586.459717 NA HMDB2010 NA NA +HMDB07559 DG(20:5(5Z,8Z,11Z,14Z,17Z)/14:0/0:0) C37H62O5 586.459717 NA HMDB2010 NA NA +MJ083508 1,2-Dihydro-1-methoxy-?,?-caroten-4-one; 7',8',11',12'-Tetrahydro C41H62O2 586.474981 NA MeJP NA NA +MJ083509 2-Methyl-2-(polyprenylmethyl)-2H-1-benzopyran-6-ol; 2-(Hexaprenylmethyl)-2-methyl-2H-1-benzopyran-6-ol, 3,4-Dihydro C41H62O2 586.474981 NA MeJP NA NA +MJ083510 2-Polyprenyl-1,4-benzenediol; 2-Heptaprenyl-1,4-benzenediol C41H62O2 586.474981 NA MeJP NA NA +MJ083511 Bacteriopurpurin; 3,4,7,8-Tetrahydro C41H62O2 586.474981 NA MeJP NA NA +C15887 3',4'-Dihydrorhodovibrin C41H62O2 586.475 NA KEGG NA NA +C15902 Hydroxyspheroidene C41H62O2 586.475 NA KEGG NA NA +MJ083512 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 4'-Me ether, octacosyl ester C38H66O4 586.49611 NA MeJP NA NA +MJ083513 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Octacosyl ester C38H66O4 586.49611 NA MeJP NA NA +MJ083514 2-Alkenyl-4,6-dimethoxyphenols; 2-(22-Hentriacontenyl)-4,6-dimethoxyphenol C39H70O3 586.532496 NA MeJP NA NA +MJ083515 5-Alkenyl-2,6-dimethoxyphenols; 4-(22-Hentriacontenyl)-2,6-dimethoxyphenol C39H70O3 586.532496 NA MeJP NA NA +2846 orphanin FQ/nociceptin analog [FQ/N (1-11)] FGGFTGARKYA 586.789 MH2+ Inhouse_peptide NA peptide +MJ083516 Adenosine tetraphosphate C10H17N5O16P4 586.962075 NA MeJP NA NA +MetaCyc03921 adenosine tetraphosphate [Adenosine 5'-tetraphosphate;] C10H17N5O16P4 586.962076 58337-43-2 metacyc NA NA +HMDB01364 Adenosine tetraphosphate C10H17N5O16P4 586.962097 NA HMDB2010 NA NA +HMDB01364 Adenosine tetraphosphate C10H17N5O16P4 586.9621 http://www.hmdb.ca/metabolites/HMDB01364 HMDB NA NA +C03483 Adenosine tetraphosphate C10H17N5O16P4 586.9621 NA KEGG NA NA +C03484 Apyrimidinic site in DNA C10H17N5O16P4 586.9621 NA KEGG NA NA +HMDB01364 Adenosine tetraphosphate C10H17N5O16P4 586.9621 HMDB01364 PFEM_hmdb_metabocards_official NA NA +MJ083517 GDP-4-dehydro-6-deoxy-D-mannose C16H23N5O15P2 587.066588 NA MeJP NA NA +MJ083518 GDP-4-dehydro-6-deoxy-L-mannose C16H23N5O15P2 587.066588 NA MeJP NA NA +MJ083519 GDP-4-oxo-L-fucose C16H23N5O15P2 587.066588 NA MeJP NA NA +MetaCyc03922 GDP-4-dehydro-6-L-deoxygalactose [GDP-4-keto-6-L-deoxygalactose;] C16H23N5O15P2 587.066588 NA metacyc NA NA +MetaCyc03923 GDP-4-dehydro-6-deoxy-D-mannose [GDP-4-keto-6-deoxymannose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-oxo-6-deoxymannose;] C16H23N5O15P2 587.066588 NA metacyc NA NA +HMDB01346 GDP-4-Dehydro-6-deoxy-D-mannose C16H23N5O15P2 587.066589 NA HMDB2010 NA NA +HMDB01391 GDP-4-Dehydro-6-L-deoxygalactose C16H23N5O15P2 587.066589 NA HMDB2010 NA NA +HMDB01346 GDP-4-Dehydro-6-deoxy-D-mannose C16H23N5O15P2 587.06659 http://www.hmdb.ca/metabolites/HMDB01346 HMDB NA NA +HMDB01346 GDP-4-Dehydro-6-deoxy-D-mannose C16H23N5O15P2 587.06659 HMDB01346 PFEM_hmdb_metabocards_official NA NA +C01222 GDP-4-dehydro-6-deoxy-D-mannose C16H23N5O15P2 587.0666 NA KEGG NA NA +C05344 GDP-4-dehydro-6-deoxy-L-mannose C16H23N5O15P2 587.0666 NA KEGG NA NA +C14830 GDP-4-keto-6-L-deoxygalactose C16H23N5O15P2 587.0666 NA KEGG NA NA +PJ006993 CCCEM C19H33N5O8S4 587.1212 NA PeJP NA NA +MJ083520 Deacylconvolutamide; N-Hexadecanoyl C26H39Br2NO4 587.124584 NA MeJP NA NA +MJ083521 N-[2,3-Dihydro-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-1H-1,4-benzodiazepin-3-yl]-2,4-bis(trifluoromethyl)benzeneacetamide C27H18F9N3O2 587.12553 NA MeJP NA NA +MJ083522 Dihydroxanthommatin, 5-O-?-D-Glucopyranoside C26H25N3O13 587.138737 NA MeJP NA NA +PJ006994 PCCCY C23H33N5O7S3 587.1542 NA PeJP NA NA +PJ006995 TCCMM C20H37N5O7S4 587.1576 NA PeJP NA NA +PJ006996 GCDMY C23H33N5O9S2 587.172 NA PeJP NA NA +PJ006997 SDDDH C21H29N7O13 587.1824 NA PeJP NA NA +PJ006998 PCCEH C22H33N7O8S2 587.1832 NA PeJP NA NA +PJ006999 SSCEY C23H33N5O11S 587.1897 NA PeJP NA NA +PJ007000 GCMMF C24H37N5O6S3 587.1906 NA PeJP NA NA +PJ007001 GDEMH C22H33N7O10S 587.201 NA PeJP NA NA +PJ007002 GCDFF C27H33N5O8S 587.205 NA PeJP NA NA +PJ007003 GSMMY C24H37N5O8S2 587.2084 NA PeJP NA NA +PJ007004 SCNQH C21H33N9O9S 587.2122 NA PeJP NA NA +PJ007005 DMHW C26H33N7O7S 587.2162 NA PeJP NA NA +PJ007006 SSEEH C22H33N7O12 587.2187 NA PeJP NA NA +PJ007007 GGPNDE C22H33N7O12 587.2188 NA PeJP NA NA +PJ007008 PTCMH C23H37N7O7S2 587.2196 NA PeJP NA NA +PJ007009 NEYY C27H33N5O10 587.2228 NA PeJP NA NA +HMDB01445 N-Acetyl-D-glucosaminyldiphosphodolichol C23H43NO12P2 587.22607 http://www.hmdb.ca/metabolites/HMDB01445 HMDB NA NA +HMDB01445 N-Acetyl-D-glucosaminyldiphosphodolichol C23H43NO12P2 587.22607 HMDB01445 PFEM_hmdb_metabocards_official NA NA +HMDB01445 N-Acetyl-D-glucosaminyldiphosphodolichol C23H43NO12P2 587.226074 NA HMDB2010 NA NA +PJ007010 SSTMY C24H37N5O10S 587.2261 NA PeJP NA NA +PJ007011 GSSSNH C21H33N9O11 587.23 NA PeJP NA NA +PJ007012 GPNDW C26H33N7O9 587.234 NA PeJP NA NA +MJ083523 8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-(3,4,5-Trimethoxy-E-cinnamoyl), 6-O-(3,4,5-trimethoxybenzoyl) C30H37NO11 587.236661 NA MeJP NA NA +MJ083524 Nothramicin C30H37NO11 587.236661 NA MeJP NA NA +PJ007013 ATEMH C23H37N7O9S 587.2374 NA PeJP NA NA +PJ007014 GYYW C31H33N5O7 587.238 NA PeJP NA NA +PJ007015 QMFY C28H37N5O7S 587.2414 NA PeJP NA NA +PJ007016 PVDEE C24H37N5O12 587.2439 NA PeJP NA NA +PJ007017 GNNHF C25H33N9O8 587.2452 NA PeJP NA NA +PJ007018 SCNKH C22H37N9O8S 587.2486 NA PeJP NA NA +MJ083525 4-(Benzoylamino)phenyl 7-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]-4-heptenoate C34H37NO8 587.251917 NA MeJP NA NA +PJ007019 CFRY C27H37N7O6S 587.2526 NA PeJP NA NA +MJ083526 2,3,4,5-Tetrahydro-3-(1H-indazol-3-ylmethyl)-N-(4-methoxyphenyl)-N-(1-methylethyl)-2,4-dioxo-5-phenyl-1H-1,5-benzodiazepine-1-acetamide C35H33N5O4 587.253254 NA MeJP NA NA +PJ007020 TTTEH C23H37N7O11 587.2551 NA PeJP NA NA +MJ083527 Uscharin C31H41NO8S 587.255287 NA MeJP NA NA +PJ007021 GLMMH C24H41N7O6S2 587.256 NA PeJP NA NA +PJ007022 GTHHH C24H33N11O7 587.2565 NA PeJP NA NA +PJ007023 DKYY C28H37N5O9 587.2591 NA PeJP NA NA +PJ007024 PPPDY C28H37N5O9 587.2592 NA PeJP NA NA +PJ007025 ANQQQ C22H37N9O10 587.2663 NA PeJP NA NA +PJ007026 SPNDR C22H37N9O10 587.2664 NA PeJP NA NA +PJ007027 GPTQW C27H37N7O8 587.2704 NA PeJP NA NA +MJ083528 Polyschistine C C31H41NO10 587.273046 NA MeJP NA NA +PJ007028 PVNQM C24H41N7O8S 587.2737 NA PeJP NA NA +PJ007029 STLMH C24H41N7O8S 587.2738 NA PeJP NA NA +PJ007030 QFFF C32H37N5O6 587.2744 NA PeJP NA NA +PJ007031 GNNQR C21H37N11O9 587.2776 NA PeJP NA NA +PJ007032 KMFY C29H41N5O6S 587.2778 NA PeJP NA NA +PJ007033 PTLEE C25H41N5O11 587.2803 NA PeJP NA NA +PJ007034 PPLMM C26H45N5O6S2 587.2812 NA PeJP NA NA +PJ007035 EHFR C26H37N9O7 587.2816 NA PeJP NA NA +PJ007036 GPQMR C23H41N9O7S 587.285 NA PeJP NA NA +PJ007037 VHFW C31H37N7O5 587.2856 NA PeJP NA NA +PJ007038 SPQKE C24H41N7O10 587.2915 NA PeJP NA NA +PJ007039 PPVEF C29H41N5O8 587.2955 NA PeJP NA NA +PJ007040 GPCRR C22H41N11O6S 587.2962 NA PeJP NA NA +PJ007041 PVLEM C26H45N5O8S 587.2989 NA PeJP NA NA +PJ007042 GVQER C23H41N9O9 587.3027 NA PeJP NA NA +PJ007043 GGGLER C23H41N9O9 587.3028 NA PeJP NA NA +3429 NA EILDV 587.3049 ACE inhibitor Inhouse_peptide NA peptide +PJ007044 GPTKW C28H41N7O7 587.3068 NA PeJP NA NA +MJ083529 4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-benzoyl C32H45NO9 587.309432 NA MeJP NA NA +MJ083530 Ludaconitine C32H45NO9 587.309432 NA MeJP NA NA +MJ083531 Virescenine; 9-Hydroxy, O1-Me, O14-(4-methoxybenzoyl), C32H45NO9 587.309432 NA MeJP NA NA +MJ083532 ?-Lipomycin C32H45NO9 587.309432 NA MeJP NA NA +7469 coeliac toxic peptide VVKVGGSSSLGW 587.31 MH2+ Inhouse_peptide NA peptide +PJ007045 PVNKM C25H45N7O7S 587.3101 NA PeJP NA NA +PJ007046 GGPVKM C25H45N7O7S 587.3102 NA PeJP NA NA +MJ083533 Nummularine R C33H41N5O5 587.310769 NA MeJP NA NA +MJ083534 Sativanine E C33H41N5O5 587.310769 NA MeJP NA NA +PJ007047 KFFF C33H41N5O5 587.3108 NA PeJP NA NA +PJ007048 QERR C22H41N11O8 587.314 NA PeJP NA NA +PJ007049 VVLEE C26H45N5O10 587.3167 NA PeJP NA NA +PJ007050 VQRW C27H41N9O6 587.318 NA PeJP NA NA +2652 synthetic fr, of human beta-CN (168-172) ACE inhibitor VLPYP 587.319 NA Inhouse_peptide NA peptide +PJ007051 GPKMR C24H45N9O6S 587.3214 NA PeJP NA NA +EUR767 Lyso PC 20:5 [M+FA-H]- C28H48NO7P 587.321722 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR767 Lyso PC 20:5 [M+FA-H]- C28H48NO7P 587.321722 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR767 Lyso PC 20:5 [M+FA-H]- C28H48NO7P 587.321722 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR767 Lyso PC 20:5 [M+FA-H]- C28H48NO7P 587.321722 masses lipides attendues Inhousejuil11 NA NA +EUR568 LysoPC(20:5) [M+FA-H]- 587.321725 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR568 LysoPC(20:5) [M+FA-H]- 587.321725 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR568 LysoPC(20:5) [M+FA-H]- 587.321725 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR568 LysoPC(20:5) [M+FA-H]- 587.321725 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR568 LysoPC(20:5) [M+FA-H]- 587.321725 identifiés dans sérum NuGO HMDB NA NA +EUR568 LysoPC(20:5) [M+FA-H]- 587.321725 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR568 LysoPC(20:5) [M+FA-H]- 587.321725 identifies dans serum NuGO Inhousejuil11 NA NA +EUR568 LysoPC(20:5) [M+FA-H]- 587.321725 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR568 LysoPC(20:5) [M+FA-H]- 587.321725 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR913 Lyso PE 22:5 [M-H+acetate]- C27H46NO7P 587.322292 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR913 Lyso PE 22:5 [M-H+acetate]- C27H46NO7P 587.322292 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR913 Lyso PE 22:5 [M-H+acetate]- C27H46NO7P 587.322292 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR913 Lyso PE 22:5 [M-H+acetate]- C27H46NO7P 587.322292 masses lipides attendues Inhousejuil11 NA NA +3613 NA RKLDG 587.3269 ACE inhibitor Inhouse_peptide NA peptide +3616 NA KRLDG 587.3269 ACE inhibitor Inhouse_peptide NA peptide +PJ007052 SPKKE C25H45N7O9 587.3279 NA PeJP NA NA +PJ007053 ARRW C26H41N11O5 587.3292 NA PeJP NA NA +PJ007054 PPVLY C30H45N5O7 587.3319 NA PeJP NA NA +PJ007055 GVKER C24H45N9O8 587.3391 NA PeJP NA NA +PJ007056 GGGAAKK C24H45N9O8 587.3392 NA PeJP NA NA +MJ083535 Glycylalanylprolylmethionylphenylalanylvalinamide; 4-L-Valine analogue C29H45N7O6 587.343132 NA MeJP NA NA +PJ007057 AALKW C29H45N7O6 587.3432 NA PeJP NA NA +MJ083536 Jervine; O3-?-D-Glucopyranoside C33H49NO8 587.345817 NA MeJP NA NA +PJ007058 PCLKK C26H49N7O6S 587.3465 NA PeJP NA NA +PJ007059 KERR C23H45N11O7 587.3504 NA PeJP NA NA +PJ007060 TLLLE C27H49N5O9 587.353 NA PeJP NA NA +PJ007061 VKRW C28H45N9O5 587.3544 NA PeJP NA NA +2718 erythromycin inhibitor MVIIL 587.3604 NA Inhouse_peptide NA peptide +MJ083537 Terpendole L C37H49NO5 587.361073 NA MeJP NA NA +PJ007062 TRRR C22H45N13O6 587.3616 NA PeJP NA NA +PJ007063 ALKKE C26H49N7O8 587.3643 NA PeJP NA NA +PJ007064 PVLLF C31H49N5O6 587.3683 NA PeJP NA NA +PJ007065 VLLLM C28H53N5O6S 587.3717 NA PeJP NA NA +PJ007066 ATLKR C25H49N9O7 587.3755 NA PeJP NA NA +MJ083538 Angiolam A C34H53NO7 587.382203 NA MeJP NA NA +PJ007067 SLLKK C27H53N7O7 587.4007 NA PeJP NA NA +PJ007068 GKKKK C26H53N9O6 587.4119 NA PeJP NA NA +EUR537 12 :0 SM F4 F4 587.432125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR537 12 :0 SM F4 NA 587.432125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR537 12 :0 SM F4 F4 587.432125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR537 12 :0 SM F4 NA 587.432125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR537 12 :0 SM F4 F4 587.432125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR537 12 :0 SM F4 NA 587.432125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR537 12 :0 SM F4 F4 587.432125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR537 12 :0 SM F4 F4 587.432125 standards wishlist analysés sur QTOF HMDB NA NA +EUR537 12 :0 SM F4 F4 587.432125 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR537 12 :0 SM F4 NA 587.432125 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR537 12 :0 SM F4 F4 587.432125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR537 12 :0 SM F4 F4 587.432125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +3561 heparin-binding peptide APRKAARWCT 587.7925 MH2+ Inhouse_peptide NA peptide +MJ083539 Inosine 5'-tetraphosphate C10H16N4O17P4 587.946091 NA MeJP NA NA +C03614 Inosine 5'-tetraphosphate C10H16N4O17P4 587.9461 NA KEGG NA NA +C03617 L-Methionylaminoacyl-tRNA C17H28N2O12PSR3 587.9461 NA KEGG NA NA +MJ083540 4,6-Hexahydroxydiphenoylglucose; (R)axial-?-D-Pyranose-form, 2-(Hydroxymethyl)phenyl glycoside C27H24O15 588.11152 NA MeJP NA NA +MJ083541 4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 2-(Hydroxymethyl)phenyl glycoside C27H24O15 588.11152 NA MeJP NA NA +PJ007069 GTCCCC C18H32N6O8S4 588.1165 NA PeJP NA NA +MJ083542 3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone; 3'''-Hydroxy, 4'''-Me ether C31H24O12 588.126776 NA MeJP NA NA +C09761 Kolaflavanone C31H24O12 588.1268 NA KEGG NA NA +PJ007070 SSSCCC C18H32N6O10S3 588.1342 NA PeJP NA NA +MJ083543 Aklavinone, 7-O-?-D-Glucopyranuroside C28H28O14 588.147905 NA MeJP NA NA +MJ083544 Tetracenomycin C; 3-O-De-Me, 3-O-(2,6-dideoxy-?-D-arabino-hexopyranoside) C28H28O14 588.147905 NA MeJP NA NA +PJ007071 CCCNF C22H32N6O7S3 588.1495 NA PeJP NA NA +MJ083545 Scabrosine; 4'-Hexanoyl, 4-butanoyl C28H32N2O8S2 588.160007 NA MeJP NA NA +MJ083546 Aurasperone A; 2',3'-Dihydro, 2'-hydroxy C32H28O11 588.163161 NA MeJP NA NA +MJ083547 Aurasperone A; 2,3-Dihydro, 2-hydroxy C32H28O11 588.163161 NA MeJP NA NA +MJ083548 Dermocanarin 4 C32H28O11 588.163161 NA MeJP NA NA +MJ083549 Fonsecinone A; 2',3'-Dihydro, 2'-hydroxy C32H28O11 588.163161 NA MeJP NA NA +PJ007072 SCCNY C22H32N6O9S2 588.1672 NA PeJP NA NA +FL3FA9GM0002 Matteuorienate C;5,7-Dihydroxy-6,8-di-C-methylflavone 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one C29H32O13 588.18429 171439-54-6 knapsack NA NA +FLIFHXGF0001 Dalbinol O-glucoside;Dalbin C29H32O13 588.18429 68401-03-6 knapsack NA NA +MJ083550 5,7-Dihydroxy-6,8-dimethylflavone; 7-O-[6-O-(3-Hydroxy-3-methylglutaroyl)-?-D-glucopyranoside] C29H32O13 588.184291 NA MeJP NA NA +MJ083551 Dalbinol; 2'-O-?-D-Glucopyranoside C29H32O13 588.184291 NA MeJP NA NA +MJ083552 Etoposide C29H32O13 588.184291 NA MeJP NA NA +MJ083553 Steffimycin; 4'-Me ether C29H32O13 588.184291 NA MeJP NA NA +C01576 Etoposide C29H32O13 588.1843 NA KEGG NA NA +C01577 Factor Xa C29H32O13 588.1843 NA KEGG NA NA +C01579 Flavonoid C29H32O13 588.1843 NA KEGG NA NA +MJ083554 Antrafenine C30H26F6N4O2 588.195995 NA MeJP NA NA +PJ007073 SCNEH C21H32N8O10S 588.1962 NA PeJP NA NA +MJ083555 Dermocanarin 5; 3-Epimer C33H32O10 588.199547 NA MeJP NA NA +MJ083556 Flavomannin, 1,3,3'-Tri-Me ether C33H32O10 588.199547 NA MeJP NA NA +MJ083557 Occidentalol I C33H32O10 588.199547 NA MeJP NA NA +PJ007074 PNDDE C22H32N6O13 588.2028 NA PeJP NA NA +PJ007075 DEYY C27H32N4O11 588.2068 NA PeJP NA NA +PJ007076 GSCHW C25H32N8O7S 588.2115 NA PeJP NA NA +PJ007077 GSSSDH C21H32N8O12 588.214 NA PeJP NA NA +MJ083558 Blestrianol B C37H32O7 588.214803 NA MeJP NA NA +PJ007078 GNMMH C22H36N8O7S2 588.2149 NA PeJP NA NA +PJ007079 GPDDW C26H32N6O10 588.218 NA PeJP NA NA +MJ083559 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-Ketone, 1-benzoyl, 2,6,9,14-tetra-Ac C30H36O12 588.220676 NA MeJP NA NA +MJ083560 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-Ketone, 2-benzoyl, 1,6,9,14-tetra-Ac C30H36O12 588.220676 NA MeJP NA NA +MJ083561 3,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 3-O-[6-O-(3,4-Dihydroxycinnamoyl)-?-D-glucopyranoside] C30H36O12 588.220676 NA MeJP NA NA +MJ083562 3,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-[2-Hydroxy-3-(4-hydroxyphenyl)propanoyl], 3-O-?-D-glucopyranoside C30H36O12 588.220676 NA MeJP NA NA +MJ083563 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-O-[2-Hydroxy-3-(4-hydroxyphenyl)propanoyl], 3-O-?-D-glucopyranoside C30H36O12 588.220676 NA MeJP NA NA +MJ083564 3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 3-O-[3,4-Dihydroxycinnamoyl(?2)-?-D-glucopyranoside] C30H36O12 588.220676 NA MeJP NA NA +MJ083565 8,14-Epoxy-14,15-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-Me ether, 15-O-[4-hydroxyphenylacetyl-(?6)-?-D-glucopyranoside] C30H36O12 588.220676 NA MeJP NA NA +PJ007080 GSPPCE C23H36N6O10S 588.2214 NA PeJP NA NA +PJ007081 NNNNN C20H32N10O11 588.2252 NA PeJP NA NA +PJ007082 GGGGGGGGN C20H32N10O11 588.2253 NA PeJP NA NA +PJ007083 EMFY C28H36N4O8S 588.2254 NA PeJP NA NA +PJ007084 ACCHR C21H36N10O6S2 588.2261 NA PeJP NA NA +PJ007085 GNDHF C25H32N8O9 588.2293 NA PeJP NA NA +PJ007086 SSQMH C22H36N8O9S 588.2326 NA PeJP NA NA +MJ083566 1,12-Epoxy-6,7,8,12-tetrahydroxy-4(18),13-clerodadien-15,16-olide, 6,7-Dibenzoyl C34H36O9 588.235932 NA MeJP NA NA +MJ083567 3,5,6,7-Tetrahydroxy-19-vouacapanoic acid, 6,7-Dibenzoyl C34H36O9 588.235932 NA MeJP NA NA +MJ083568 Cassumunarin A; 2'-Epimer, 2''-methoxy C34H36O9 588.235932 NA MeJP NA NA +MJ083569 Cassumunin A; 2''-Methoxy C34H36O9 588.235932 NA MeJP NA NA +PJ007087 SPPCW C27H36N6O7S 588.2366 NA PeJP NA NA +3083 NA DSDPR 588.2388 celiac toxic Inhouse_peptide NA peptide +3327 NA DSDPR 588.2388 celiac toxic Inhouse_peptide NA peptide +PJ007088 SPQEE C23H36N6O12 588.2391 NA PeJP NA NA +PJ007089 GGPTEE C23H36N6O12 588.2392 NA PeJP NA NA +PJ007090 PPNMM C24H40N6O7S2 588.24 NA PeJP NA NA +MJ083570 Furcatoside C; 2',3'-Di-Ac C27H40O14 588.241805 NA MeJP NA NA +MJ083571 Patrinoside; 2',7,10-Tri-Ac C27H40O14 588.241805 NA MeJP NA NA +PJ007091 SSCHR C21H36N10O8S 588.2439 NA PeJP NA NA +MJ083572 Pentigetide C22H36N8O11 588.250354 NA MeJP NA NA +PJ007092 SPDDR C22H36N8O11 588.2504 NA PeJP NA NA +PJ007093 ACKMH C23H40N8O6S2 588.2512 NA PeJP NA NA +PJ007094 VCCKH C23H40N8O6S2 588.2513 NA PeJP NA NA +PJ007095 GPTEW C27H36N6O9 588.2544 NA PeJP NA NA +MJ083573 11(15?1)-Abeo-4,20-epoxy-11-taxene-2,5,7,9,10,13,15-heptol, 9-Benzoyl, 2,7-di-Ac C31H40O11 588.257062 NA MeJP NA NA +MJ083574 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 10-Benzoyl, 2,4-di-Ac C31H40O11 588.257062 NA MeJP NA NA +MJ083575 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2-Benzoyl, 4,13-di-Ac C31H40O11 588.257062 NA MeJP NA NA +MJ083576 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2-Benzoyl, 4,7-di-Ac C31H40O11 588.257062 NA MeJP NA NA +MJ083577 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 7-Benzoyl, 2,4-di-Ac C31H40O11 588.257062 NA MeJP NA NA +MJ083578 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 9-Benzoyl, 2,4-di-Ac C31H40O11 588.257062 NA MeJP NA NA +MJ083579 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2-Benzoyl, 4,10-di-Ac C31H40O11 588.257062 NA MeJP NA NA +MJ083580 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2-Benzoyl, 4,13-di-Ac C31H40O11 588.257062 NA MeJP NA NA +MJ083581 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2-Benzoyl, 4,7-di-Ac C31H40O11 588.257062 NA MeJP NA NA +MJ083582 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2-Benzoyl, 4,13-di-Ac C31H40O11 588.257062 NA MeJP NA NA +MJ083583 Detigloylswietenine; 2?-Hydroxy, 8?,30?-epoxide, 3-(2-methylpropanoyl) C31H40O11 588.257062 NA MeJP NA NA +MJ083584 EP1; 15?-Acetoxy C31H40O11 588.257062 NA MeJP NA NA +MJ083585 Humilinolide A C31H40O11 588.257062 NA MeJP NA NA +MJ083586 Sandoricin C31H40O11 588.257062 NA MeJP NA NA +MJ083587 Tyledoside F; 12-Oxo C31H40O11 588.257062 NA MeJP NA NA +PJ007096 PVNEM C24H40N6O9S 588.2578 NA PeJP NA NA +PJ007097 PFYY C32H36N4O7 588.2584 NA PeJP NA NA +MJ083588 Magnesium protoporphyrin C34H36MgN4O4 588.258697 NA MeJP NA NA +PJ007098 GNNER C21H36N10O10 588.2616 NA PeJP NA NA +PJ007099 LMYY C29H40N4O7S 588.2618 NA PeJP NA NA +PJ007100 QQQW C26H36N8O8 588.2656 NA PeJP NA NA +PJ007101 GGGGGVW C26H36N8O8 588.2657 NA PeJP NA NA +MJ083589 N,N'-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinylmethyl 2,2-dimethylpropanoate C30H40N2O10 588.268295 NA MeJP NA NA +PJ007102 GPEMR C23H40N8O8S 588.269 NA PeJP NA NA +MJ083590 5,6,7,8-Tetrahydro-6-(4-hydroxyphenyl)-6-methyl-5-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-2-naphthalenol C31H41F5O3S 588.269656 NA MeJP NA NA +PJ007103 PTWW C31H36N6O6 588.2697 NA PeJP NA NA +MJ083591 Ohchinal C35H40O8 588.272318 NA MeJP NA NA +PJ007104 GPVMW C28H40N6O6S 588.273 NA PeJP NA NA +MJ083592 4-Hydoxy-1-[(1-methyl-1H-indol-3-yl)carbonyl]-L-prolyl-N-methyl-3-(2-naphthalenyl)-N-(phenylmethyl)-L-alaninamide C36H36N4O4 588.273655 NA MeJP NA NA +PJ007105 SPKEE C24H40N6O11 588.2755 NA PeJP NA NA +PJ007106 NNRW C25H36N10O7 588.2769 NA PeJP NA NA +MJ083593 Pallidiflorine C34H40N2O7 588.283551 NA MeJP NA NA +PJ007107 PMRW C27H40N8O5S 588.2843 NA PeJP NA NA +PJ007108 GVEER C23H40N8O10 588.2868 NA PeJP NA NA +PJ007109 AALEW C28H40N6O8 588.2908 NA PeJP NA NA +MJ083594 2,19:4,18:11,16:15,16-Tetraepoxy-6,7,19-clerodanetriol, 7,19-Ditigloyl, 6-Ac C32H44O10 588.293447 NA MeJP NA NA +MJ083595 3,14,16-Trihydroxybufa-4,20,22-trienolide, 3-O-?-L-Rhamnopyranoside, 16-Ac C32H44O10 588.293447 NA MeJP NA NA +MJ083596 Pregnane-3,5,6,8,12,14,17,20-octol, 12-Cinnamoyl, 20-Ac C32H44O10 588.293447 NA MeJP NA NA +PJ007110 PTLQM C25H44N6O8S 588.2941 NA PeJP NA NA +PJ007111 PVDKM C25H44N6O8S 588.2942 NA PeJP NA NA +MJ083597 Trapoxin B C33H40N4O6 588.294785 NA MeJP NA NA +HMDB04161 D-Urobilin C33H40N4O6 588.2948 http://www.hmdb.ca/metabolites/HMDB04161 HMDB NA NA +C05795 D-Urobilin C33H40N4O6 588.2948 NA KEGG NA NA +C05796 Galactan C33H40N4O6 588.2948 NA KEGG NA NA +PJ007112 LFFY C33H40N4O6 588.2948 NA PeJP NA NA +HMDB04161 D-Urobilin C33H40N4O6 588.2948 HMDB04161 PFEM_hmdb_metabocards_official NA NA +HMDB04161 D-Urobilin C33H40N4O6 588.2948 NA HMDB2010 NA NA +PJ007113 EERR C22H40N10O9 588.298 NA PeJP NA NA +MJ083598 Bismurrayafoline B C38H40N2O4 588.298807 NA MeJP NA NA +MJ083599 Flupentixol, Decanoyl C33H43F3N2O2S 588.299733 NA MeJP NA NA +MJ083600 Cilengitide C27H40N8O7 588.301995 NA MeJP NA NA +PJ007114 VERW C27H40N8O7 588.302 NA PeJP NA NA +MJ083601 Magireol A C30H53BrO6 588.302552 NA MeJP NA NA +PJ007115 SPVMR C24H44N8O7S 588.3054 NA PeJP NA NA +PJ007116 VVWW C32H40N6O5 588.306 NA PeJP NA NA +PJ007117 GSNRR C21H40N12O8 588.3092 NA PeJP NA NA +PJ007118 ALKEE C25H44N6O10 588.3119 NA PeJP NA NA +PJ007119 APKHH C26H40N10O6 588.3133 NA PeJP NA NA +MJ083602 7(14)-Bisabolene-1,2,3,4,5,8,10,11-octol; 2,5,8-Tris-(2-methylpropanoyl), 4-Ac C29H48O12 588.314577 NA MeJP NA NA +PJ007120 ATLER C24H44N8O9 588.3231 NA PeJP NA NA +PJ007121 SVVER C24H44N8O9 588.3232 NA PeJP NA NA +PJ007122 GTLLW C29H44N6O7 588.3272 NA PeJP NA NA +C11955 Avermectin B2b aglycone C33H48O9 588.3298 NA KEGG NA NA +MJ083603 Piscidinol F C33H48O9 588.329833 NA MeJP NA NA +MJ083604 Viridominic acid A C33H48O9 588.329833 NA MeJP NA NA +PJ007123 PTLKM C26H48N6O7S 588.3305 NA PeJP NA NA +PJ007124 GGVLLM C26H48N6O7S 588.3306 NA PeJP NA NA +PJ007125 GTQKR C23H44N10O8 588.3344 NA PeJP NA NA +PJ007126 QKKW C28H44N8O6 588.3384 NA PeJP NA NA +PJ007127 GLLMR C25H48N8O6S 588.3418 NA PeJP NA NA +MJ083605 Hydratopyrrhoxanthinol C37H48O6 588.345089 NA MeJP NA NA +MJ083606 Peridininol C37H48O6 588.345089 NA MeJP NA NA +MJ083607 Longicaudatine Z C38H44N4O2 588.346426 NA MeJP NA NA +MJ083608 Panganensine R C38H44N4O2 588.346426 NA MeJP NA NA +PJ007128 SLLKE C26H48N6O9 588.3483 NA PeJP NA NA +2724 erythromycin inhibitor MVLKV 588.3544 NA Inhouse_peptide NA peptide +PJ007129 STLLR C25H48N8O8 588.3595 NA PeJP NA NA +PJ007130 PVVKF C30H48N6O6 588.3636 NA PeJP NA NA +HMDB10342 25-Hydroxyvitamin D2-25-glucuronide C34H52O8 588.366211 NA HMDB2010 NA NA +HMDB10360 25-Hydroxyvitamin D2 25-(beta-glucuronide) C34H52O8 588.366211 NA HMDB2010 NA NA +MJ083609 12-Oleanene-3,16,21,22,23,28-hexol, 23-Aldehyde, 21,22-di-Ac C34H52O8 588.366218 NA MeJP NA NA +MJ083610 2,3,11,19-Tetrahydroxy-12-ursen-28-oic acid, 2,11-Di-Ac C34H52O8 588.366218 NA MeJP NA NA +MJ083611 3,23-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-?-L-Arabinopyranoside C34H52O8 588.366218 NA MeJP NA NA +MJ083612 3,7,15,22-Tetrahydroxylanosta-8,24-dien-26-oic acid, 3,22-Di-Ac C34H52O8 588.366218 NA MeJP NA NA +MJ083613 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-Dodecanoyl, 13-Ac C34H52O8 588.366218 NA MeJP NA NA +MJ083614 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Dodecanoyl, 12-Ac C34H52O8 588.366218 NA MeJP NA NA +MJ083615 9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 16-Hydroxy, 12-dodecanoyl, 13-Ac C34H52O8 588.366218 NA MeJP NA NA +MJ083616 Gnidilatin; 30-Butyl, de(benzoyloxy) C34H52O8 588.366218 NA MeJP NA NA +MJ083617 Quercinic acid; 31-Hydroxy, 3-carboxyacetyl C34H52O8 588.366218 NA MeJP NA NA +PJ007131 VVLKM C27H52N6O6S 588.3669 NA PeJP NA NA +PJ007132 GTKKR C24H48N10O7 588.3708 NA PeJP NA NA +MJ083618 Nephilatoxin 1 C29H48N8O5 588.374766 NA MeJP NA NA +PJ007133 KKKW C29H48N8O5 588.3748 NA PeJP NA NA +PJ007134 SVKKK C26H52N8O7 588.3959 NA PeJP NA NA +MJ083619 12-Oleanene-3,15,16,21,22,28-hexol, 21-(2-Methyl-2-butenoyl) C35H56O7 588.402604 NA MeJP NA NA +MJ083620 12-Oleanene-3,15,16,21,22,28-hexol, 21-Angeloyl C35H56O7 588.402604 NA MeJP NA NA +MJ083621 12-Oleanene-3,15,16,21,22,28-hexol, 22-Angeloyl C35H56O7 588.402604 NA MeJP NA NA +MJ083622 12-Oleanene-3,15,16,21,22,28-hexol, 22-Tigloyl C35H56O7 588.402604 NA MeJP NA NA +MJ083623 12-Oleanene-3,16,21,22,23,28-hexol, 21-Angeloyl C35H56O7 588.402604 NA MeJP NA NA +MJ083624 12-Oleanene-3,16,21,22,23,28-hexol, 21-Tigloyl C35H56O7 588.402604 NA MeJP NA NA +MJ083625 12-Oleanene-3,16,21,22,23,28-hexol, 22-Angeloyl C35H56O7 588.402604 NA MeJP NA NA +MJ083626 12-Oleanene-3,16,21,22,24,28-hexol, 21-Angeloyl C35H56O7 588.402604 NA MeJP NA NA +MJ083627 12-Oleanene-3,16,21,22,24,28-hexol, 21-Tigloyl C35H56O7 588.402604 NA MeJP NA NA +MJ083628 21,23-Epoxy-4,7-dihydroxy-3,4-secoapotirucalla-14,24-dien-3-oic acid, 7-(2R-Hydroxy-3-methylbutanoyl) C35H56O7 588.402604 NA MeJP NA NA +MJ083629 3-Hydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside C35H56O7 588.402604 NA MeJP NA NA +MJ083630 3-Hydroxy-18-oleanen-28-oic acid, 3-O-Arabinoside C35H56O7 588.402604 NA MeJP NA NA +MJ083631 3-Hydroxy-27-nor-13-oleanen-28-oic acid, 3-O-(6-Deoxy-?-D-galactopyranoside) C35H56O7 588.402604 NA MeJP NA NA +MJ083632 3-Hydroxy-27-nor-13-oleanen-28-oic acid, 3-O-?-L-Rhamnopyranoside C35H56O7 588.402604 NA MeJP NA NA +MJ083633 Dammar-24-ene-3,12,20-triol, 3-Malonyl, 12-Ac C35H56O7 588.402604 NA MeJP NA NA +MJ083634 Glabretal; 7-Deacetyl, 3-tigloyl, 24?,25-glycol C35H56O7 588.402604 NA MeJP NA NA +MJ083635 Lansiolic acid; 3-O-?-D-Xylopyranoside C35H56O7 588.402604 NA MeJP NA NA +MJ083636 Oleanolic acid 3-glycosides; Monoglycosides, 3-O-?-D-Xylopyranoside C35H56O7 588.402604 NA MeJP NA NA +MJ083637 Oleanolic acid 3-glycosides; Monoglycosides, 3-O-?-L-Arabinopyranoside C35H56O7 588.402604 NA MeJP NA NA +MJ083638 12-Oleanene-3,28-diol, 3-(4-Hydroxycinnamoyl)(E-) C39H56O4 588.41786 NA MeJP NA NA +MJ083639 12-Oleanene-3,28-diol, 3-(4-Hydroxycinnamoyl)(Z-) C39H56O4 588.41786 NA MeJP NA NA +MJ083640 20(29)-Lupen-3-ol, (3,4-Dihydroxycinnamoyl)(E-) C39H56O4 588.41786 NA MeJP NA NA +MJ083641 20(29)-Lupene-3,11-diol, 11-(4-Hydroxycinnamoyl)(E-) C39H56O4 588.41786 NA MeJP NA NA +MJ083642 Cycloart-24-en-3-ol, 3-O-(3,4-Dihydroxycinnamoyl)(E-) C39H56O4 588.41786 NA MeJP NA NA +MJ083643 12-Ursen-3-ol, 3-O-?-D-Glucopyranoside C36H60O6 588.438989 NA MeJP NA NA +MJ083644 31-Norcycloswietenol; 3-O-?-D-Glucopyranoside C36H60O6 588.438989 NA MeJP NA NA +MJ083645 Cycloeucalenol; 3-O-?-D-Glucopyranoside C36H60O6 588.438989 NA MeJP NA NA +MJ083646 ?,?-Carotene-3,4,4'-triol; 5,5',6,6'-Tetrahydro C40H60O3 588.454245 NA MeJP NA NA +MJ083647 Acutifloric acid C40H60O3 588.454245 NA MeJP NA NA +MJ083648 Annodienin C37H64O5 588.475375 NA MeJP NA NA +MJ083649 Tripoxyrollin C37H64O5 588.475375 NA MeJP NA NA +HMDB07025 DG(14:0/20:4(5Z,8Z,11Z,14Z)/0:0) C37H64O5 588.475403 NA HMDB2010 NA NA +HMDB07026 DG(14:0/20:4(8Z,11Z,14Z,17Z)/0:0) C37H64O5 588.475403 NA HMDB2010 NA NA +HMDB07052 DG(14:1(9Z)/20:3(5Z,8Z,11Z)/0:0) C37H64O5 588.475403 NA HMDB2010 NA NA +HMDB07053 DG(14:1(9Z)/20:3(8Z,11Z,14Z)/0:0) C37H64O5 588.475403 NA HMDB2010 NA NA +HMDB07106 DG(16:0/18:4(6Z,9Z,12Z,15Z)/0:0) C37H64O5 588.475403 NA HMDB2010 NA NA +HMDB07133 DG(16:1(9Z)/18:3(6Z,9Z,12Z)/0:0) C37H64O5 588.475403 NA HMDB2010 NA NA +HMDB07134 DG(16:1(9Z)/18:3(9Z,12Z,15Z)/0:0) C37H64O5 588.475403 NA HMDB2010 NA NA +HMDB07273 DG(18:3(6Z,9Z,12Z)/16:1(9Z)/0:0) C37H64O5 588.475403 NA HMDB2010 NA NA +HMDB07302 DG(18:3(9Z,12Z,15Z)/16:1(9Z)/0:0) C37H64O5 588.475403 NA HMDB2010 NA NA +HMDB07330 DG(18:4(6Z,9Z,12Z,15Z)/16:0/0:0) C37H64O5 588.475403 NA HMDB2010 NA NA +HMDB07444 DG(20:3(5Z,8Z,11Z)/14:1(9Z)/0:0) C37H64O5 588.475403 NA HMDB2010 NA NA +HMDB07473 DG(20:3(8Z,11Z,14Z)/14:1(9Z)/0:0) C37H64O5 588.475403 NA HMDB2010 NA NA +HMDB07501 DG(20:4(5Z,8Z,11Z,14Z)/14:0/0:0) C37H64O5 588.475403 NA HMDB2010 NA NA +HMDB07530 DG(20:4(8Z,11Z,14Z,17Z)/14:0/0:0) C37H64O5 588.475403 NA HMDB2010 NA NA +MJ083650 1,1',2,2',7,8-Hexahydro-?,?-carotene-1,1'-diol; 1'-Me ether C41H64O2 588.490631 NA MeJP NA NA +MJ083651 8(17)-Labdene-15,19-diol, 19-Carboxylic acid, 15-octadecanoyl C38H68O4 588.51176 NA MeJP NA NA +MJ083652 2-Phyten-1-ol, 1-Carboxylic acid, 2-phytenyl ester(E-) C40H76O2 588.584531 NA MeJP NA NA +C04613 UDP-2-acetamido-4-dehydro-2,6-dideoxyglucose C17H25N3O16P2 589.071 NA KEGG NA NA +C04614 alpha-D-Mannosyl-1,3-(R1)-beta-D-mannosyl-R2 C12H21O11R 589.071 NA KEGG NA NA +C04615 alpha-D-Mannosylchitobiosyldiphosphodolichol C42H74N2O22P2 589.071 NA KEGG NA NA +C00325 GDP-L-fucose C16H25N5O15P2 589.0822 NA KEGG NA NA +C00326 Glycoprotein C16H25N5O15P2 589.0822 NA KEGG NA NA +C00498 ADP-glucose C16H25N5O15P2 589.0822 NA KEGG NA NA +C02977 GDP-6-deoxy-D-talose C16H25N5O15P2 589.0822 NA KEGG NA NA +C03117 GDP-6-deoxy-D-mannose C16H25N5O15P2 589.0822 NA KEGG NA NA +C03119 Glucuronoarabinoxylan C16H25N5O15P2 589.0822 NA KEGG NA NA +C03120 Glycerophosphodiester C3H8O6PR 589.0822 NA KEGG NA NA +C03121 Glycoprotein inositol C3H8O6PR 589.0822 NA KEGG NA NA +C05386 GDP-6-deoxy-L-mannose C16H25N5O15P2 589.0822 NA KEGG NA NA +C05392 Oligouronide with 4-deoxy-alpha-L-erythro-hex-4-enopyranuronosyl C6H8O6 589.0822 NA KEGG NA NA +C05393 3-Deoxy-D-manno-octulosono-lipid(A) C6H8O6 589.0822 NA KEGG NA NA +C06192 ADP-mannose C16H25N5O15P2 589.0822 NA KEGG NA NA +HMDB01095 GDP-L-fucose C16H25N5O15P2 589.08221 http://www.hmdb.ca/metabolites/HMDB01095 HMDB NA NA +HMDB01499 GDP-D-Rhamnose C16H25N5O15P2 589.08221 http://www.hmdb.ca/metabolites/HMDB01499 HMDB NA NA +HMDB06369 ADP-Mannose C16H25N5O15P2 589.08221 http://www.hmdb.ca/metabolites/HMDB06369 HMDB NA NA +HMDB06557 ADP-glucose C16H25N5O15P2 589.08221 http://www.hmdb.ca/metabolites/HMDB06557 HMDB NA NA +HMDB01095 GDP-L-fucose C16H25N5O15P2 589.08221 HMDB01095 PFEM_hmdb_metabocards_official NA NA +HMDB01499 GDP-D-Rhamnose C16H25N5O15P2 589.08221 HMDB01499 PFEM_hmdb_metabocards_official NA NA +HMDB06369 ADP-Mannose C16H25N5O15P2 589.08221 HMDB06369 PFEM_hmdb_metabocards_official NA NA +HMDB06557 ADP-glucose C16H25N5O15P2 589.08221 HMDB06557 PFEM_hmdb_metabocards_official NA NA +HMDB01095 GDP-L-fucose C16H25N5O15P2 589.082214 NA HMDB2010 NA NA +HMDB01499 GDP-D-Rhamnose C16H25N5O15P2 589.082214 NA HMDB2010 NA NA +HMDB06369 ADP-Mannose C16H25N5O15P2 589.082214 NA HMDB2010 NA NA +HMDB06557 ADP-glucose C16H25N5O15P2 589.082214 NA HMDB2010 NA NA +MJ083653 Adenosine 5'-diphosphoglucose C16H25N5O15P2 589.082238 NA MeJP NA NA +MJ083654 ADPglucose C16H25N5O15P2 589.082238 NA MeJP NA NA +MJ083655 ADPmannose C16H25N5O15P2 589.082238 NA MeJP NA NA +MJ083656 GDP-6-deoxy-D-mannose C16H25N5O15P2 589.082238 NA MeJP NA NA +MJ083657 GDP-6-deoxy-D-talose C16H25N5O15P2 589.082238 NA MeJP NA NA +MJ083658 GDP-6-deoxy-L-mannose C16H25N5O15P2 589.082238 NA MeJP NA NA +MJ083659 GDP-L-fucose C16H25N5O15P2 589.082238 NA MeJP NA NA +MetaCyc03924 GDP-L-fucose [guanosine diphosphate fucose;guanosine 5'-(trihydrogen diphosphate), P'-(6-deoxy-β-L- galactopyranosyl) ester;2-amino-9-[3,4-dihydroxy-5-[[hydroxy-[hydroxy-(3,4,5-trihydroxy- 6-methyl-tetrahydropyran-2-yl)oxy-phosphinoyl]oxy-phosphinoyl] oxymethyl]tetrahydrofuran-2-yl]-1,9-dihydropurin-6-one;] C16H25N5O15P2 589.082238 15839-70-0 metacyc NA NA +MetaCyc03925 GDP-6-deoxy-D-talose [] C16H25N5O15P2 589.082238 NA metacyc NA NA +MetaCyc03926 GDP-D-rhamnose [GDP-6-deoxy-D-mannose;] C16H25N5O15P2 589.082238 NA metacyc NA NA +MetaCyc03927 ADP-D-glucose [adenosine diphosphate glucose;ADP-glucose;] C16H25N5O15P2 589.082238 2140-58-1 metacyc NA NA +HMDB00290 Uridine diphosphate-N-acetylglucosamine C18H29N3O15P2 589.10736 http://www.hmdb.ca/metabolites/HMDB00290 HMDB NA NA +HMDB00290 Uridine diphosphate-N-acetylglucosamine C18H29N3O15P2 589.10736 HMDB00290 PFEM_hmdb_metabocards_official NA NA +HMDB12222 dTDP-4-acetamido-4,6-dideoxy-D-galactose C18H29N3O15P2 589.107361 NA HMDB2010 NA NA +MetaCyc03928 dTDP-4-acetamido-4,6-dideoxy-D-galactose [dTDP-4-acetamido-4,6-dideoxy-D-galactose;TDP-Fuc4NAc;] C18H29N3O15P2 589.10739 NA metacyc NA NA +C06018 dTDP-4-acetamido-4,6-dideoxy-D-glucose C18H29N3O15P2 589.1074 NA KEGG NA NA +PJ007135 CCCMM C19H35N5O6S5 589.1191 NA PeJP NA NA +PJ007136 CCCDF C22H31N5O8S3 589.1335 NA PeJP NA NA +MJ083660 Pinaverium(1+); Bromide C26H41Br2NO4 589.140234 NA MeJP NA NA +C11447 dTDP-4-dimethylamino-4,6-dideoxy-5-C-methyl-L-mannose C19H33N3O14P2 589.1438 NA KEGG NA NA +PJ007137 SCCDY C22H31N5O10S2 589.1513 NA PeJP NA NA +PJ007138 ACCMY C23H35N5O7S3 589.1699 NA PeJP NA NA +C12473 Novclobiocin 104 C29H32ClNO10 589.1715 NA KEGG NA NA +PJ007139 CCNNH C20H31N9O8S2 589.1737 NA PeJP NA NA +PJ007140 SCDEH C21H31N7O11S 589.1803 NA PeJP NA NA +PJ007141 PCCMH C22H35N7O6S3 589.1811 NA PeJP NA NA +PJ007142 PDDDE C22H31N5O14 589.1868 NA PeJP NA NA +PJ007143 SSCMY C23H35N5O9S2 589.1876 NA PeJP NA NA +PJ007144 GDMMH C22H35N7O8S2 589.1989 NA PeJP NA NA +PJ007145 ACCFF C27H35N5O6S2 589.2029 NA PeJP NA NA +PJ007146 NNNND C20H31N9O12 589.2092 NA PeJP NA NA +PJ007147 GGGGNND C20H31N9O12 589.2093 NA PeJP NA NA +PJ007148 GDDHF C25H31N7O10 589.2133 NA PeJP NA NA +PJ007149 SSEMH C22H35N7O10S 589.2166 NA PeJP NA NA +PJ007150 GGGGPDM C22H35N7O10S 589.2167 NA PeJP NA NA +PJ007151 GCHHH C23H31N11O6S 589.218 NA PeJP NA NA +PJ007152 NMYY C27H35N5O8S 589.2206 NA PeJP NA NA +PJ007153 GGMYY C27H35N5O8S 589.2207 NA PeJP NA NA +PJ007154 SPEEE C23H35N5O13 589.2232 NA PeJP NA NA +PJ007155 PPDMM C24H39N5O8S2 589.224 NA PeJP NA NA +MJ083661 TSAO-T C24H43N3O8SSi2 589.230939 NA MeJP NA NA +MJ083662 Ankinomycin C33H35NO9 589.231181 NA MeJP NA NA +MJ083663 Saptomycin E C33H35NO9 589.231181 NA MeJP NA NA +PJ007156 GPCQW C26H35N7O7S 589.2319 NA PeJP NA NA +PJ007157 GQQEE C22H35N7O12 589.2344 NA PeJP NA NA +PJ007158 ATMMH C23H39N7O7S2 589.2353 NA PeJP NA NA +PJ007159 GSTYY C27H35N5O10 589.2384 NA PeJP NA NA +PJ007160 PVDEM C24H39N5O10S 589.2418 NA PeJP NA NA +PJ007161 PPCHH C25H35N9O6S 589.2431 NA PeJP NA NA +PJ007162 GNDER C21H35N9O11 589.2456 NA PeJP NA NA +PJ007163 GGGGGGGAT C21H35N9O11 589.2457 NA PeJP NA NA +PJ007164 QQEW C26H35N7O9 589.2496 NA PeJP NA NA +PJ007165 GAQEW C26H35N7O9 589.2497 NA PeJP NA NA +PJ007166 TTTMH C23H39N7O9S 589.253 NA PeJP NA NA +PJ007167 NFFY C31H35N5O7 589.2537 NA PeJP NA NA +PJ007168 ALEEE C24H39N5O12 589.2595 NA PeJP NA NA +PJ007169 VVDEE C24H39N5O12 589.2596 NA PeJP NA NA +PJ007170 NDRW C25H35N9O8 589.2609 NA PeJP NA NA +PJ007171 PTCNR C22H39N9O8S 589.2642 NA PeJP NA NA +PJ007172 SPCQR C22H39N9O8S 589.2643 NA PeJP NA NA +PJ007173 AQWW C30H35N7O6 589.2649 NA PeJP NA NA +PJ007174 GPCKW C27H39N7O6S 589.2683 NA PeJP NA NA +PJ007175 GQKEE C23H39N7O11 589.2708 NA PeJP NA NA +MJ083664 Uscharin; 15?-Hydroxy, 19-deoxo C31H43NO8S 589.270938 NA MeJP NA NA +MJ083665 Uscharin; 3'',4''-Dihydro C31H43NO8S 589.270938 NA MeJP NA NA +PJ007176 PPVDY C28H39N5O9 589.2748 NA PeJP NA NA +PJ007177 PTLEM C25H43N5O9S 589.2782 NA PeJP NA NA +PJ007178 MHFR C26H39N9O5S 589.2795 NA PeJP NA NA +MJ083666 Cyclomethasone C32H44ClNO7 589.28063 NA MeJP NA NA +PJ007179 GTQER C22H39N9O10 589.282 NA PeJP NA NA +PJ007180 QKEW C27H39N7O8 589.286 NA PeJP NA NA +MJ083667 4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18,N-Penta-Me, 14-benzoyl C31H43NO10 589.288696 NA MeJP NA NA +PJ007181 SPQKM C24H43N7O8S 589.2894 NA PeJP NA NA +PJ007182 GSDRR C21H39N11O9 589.2933 NA PeJP NA NA +PJ007183 PPVMF C29H43N5O6S 589.2934 NA PeJP NA NA +PJ007184 SLLEE C25H43N5O11 589.2959 NA PeJP NA NA +PJ007185 PVLMM C26H47N5O6S2 589.2968 NA PeJP NA NA +PJ007186 TQRW C26H39N9O7 589.2973 NA PeJP NA NA +PJ007187 GVQMR C23H43N9O7S 589.3006 NA PeJP NA NA +PJ007188 GGGLMR C23H43N9O7S 589.3007 NA PeJP NA NA +PJ007189 AKWW C31H39N7O5 589.3013 NA PeJP NA NA +PJ007190 GKKEE C24H43N7O10 589.3072 NA PeJP NA NA +PJ007191 PPTLY C29H43N5O8 589.3112 NA PeJP NA NA +PJ007192 QMRR C22H43N11O6S 589.3119 NA PeJP NA NA +EUR795 Lyso PC 22:6 [M+Na]+ C30H50NO7P 589.314438 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR795 Lyso PC 22:6 [M+Na]+ C30H50NO7P 589.314438 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR795 Lyso PC 22:6 [M+Na]+ C30H50NO7P 589.314438 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR795 Lyso PC 22:6 [M+Na]+ C30H50NO7P 589.314438 masses lipides attendues Inhousejuil11 NA NA +PJ007193 VVLEM C26H47N5O8S 589.3146 NA PeJP NA NA +PJ007194 GTKER C23H43N9O9 589.3184 NA PeJP NA NA +PJ007195 KKEW C28H43N7O7 589.3224 NA PeJP NA NA +PJ007196 CRRR C21H43N13O5S 589.3231 NA PeJP NA NA +PJ007197 SPKKM C25H47N7O7S 589.3258 NA PeJP NA NA +MJ083668 Ergogaline C33H43N5O5 589.326419 NA MeJP NA NA +MJ083669 Ergoheptine C33H43N5O5 589.326419 NA MeJP NA NA +MJ083670 Mauritine H C33H43N5O5 589.326419 NA MeJP NA NA +MJ083671 Mergocriptine C33H43N5O5 589.326419 NA MeJP NA NA +MJ083672 ?-Ergocryptine; Me ether C33H43N5O5 589.326419 NA MeJP NA NA +PJ007198 GTTRR C22H43N11O8 589.3296 NA PeJP NA NA +PJ007199 TKRW C27H43N9O6 589.3337 NA PeJP NA NA +MJ083673 Detoxin D1; O-De-Ac, O-(3-methylbutanoyl) C31H47N3O8 589.336315 NA MeJP NA NA +PJ007200 GVKMR C24H47N9O6S 589.337 NA PeJP NA NA +EUR576 LysoPC(20:4) [M+FA-H]- 589.337325 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR576 LysoPC(20:4) [M+FA-H]- 589.337325 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR576 LysoPC(20:4) [M+FA-H]- 589.337325 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR576 LysoPC(20:4) [M+FA-H]- 589.337325 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR576 LysoPC(20:4) [M+FA-H]- 589.337325 identifiés dans sérum NuGO HMDB NA NA +EUR576 LysoPC(20:4) [M+FA-H]- 589.337325 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR576 LysoPC(20:4) [M+FA-H]- 589.337325 identifies dans serum NuGO Inhousejuil11 NA NA +EUR576 LysoPC(20:4) [M+FA-H]- 589.337325 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR576 LysoPC(20:4) [M+FA-H]- 589.337325 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR682 Lyso PC 20:4 [M+FA-H]- C28H50NO7P 589.337372 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR682 Lyso PC 20:4 [M+FA-H]- C28H50NO7P 589.337372 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR682 Lyso PC 20:4 [M+FA-H]- C28H50NO7P 589.337372 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR682 Lyso PC 20:4 [M+FA-H]- C28H50NO7P 589.337372 masses lipides attendues Inhousejuil11 NA NA +EUR908 Lyso PE 22:4 [M-H+acetate]- C27H48NO7P 589.337942 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR908 Lyso PE 22:4 [M-H+acetate]- C27H48NO7P 589.337942 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR908 Lyso PE 22:4 [M-H+acetate]- C27H48NO7P 589.337942 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR908 Lyso PE 22:4 [M-H+acetate]- C27H48NO7P 589.337942 masses lipides attendues Inhousejuil11 NA NA +2720 erythromycin inhibitor MIITI 589.3394 NA Inhouse_peptide NA peptide +MJ083674 Petuniasterone C; 22-(3-Pyridinecarbonyl), 7-Ac C36H47NO6 589.340338 NA MeJP NA NA +PJ007201 TTLQK C25H47N7O9 589.3435 NA PeJP NA NA +PJ007202 SVKKE C25H47N7O9 589.3436 NA PeJP NA NA +PJ007203 PVVLY C30H47N5O7 589.3476 NA PeJP NA NA +PJ007204 KMRR C23H47N11O5S 589.3483 NA PeJP NA NA +PJ007205 TLLLM C27H51N5O7S 589.3509 NA PeJP NA NA +PJ007206 SSLKR C24H47N9O8 589.3548 NA PeJP NA NA +PJ007207 APKKF C29H47N7O6 589.3588 NA PeJP NA NA +MJ083675 21-(3,4-Dihydro-3-methyl-2H-pyrrol-5-yl)-3-hydroxy-20-methylpregnane-6,21-dione, O-?-D-Glucopyranoside C33H51NO8 589.361467 NA MeJP NA NA +MJ083676 Petisine; 3-O-?-D-Glucopyranosyl C33H51NO8 589.361467 NA MeJP NA NA +PJ007208 ALKKM C26H51N7O6S 589.3622 NA PeJP NA NA +PJ007209 TTLKK C26H51N7O8 589.3799 NA PeJP NA NA +MJ083677 Peptaibolin C31H51N5O6 589.383934 NA MeJP NA NA +PJ007210 VVLLF C31H51N5O6 589.384 NA PeJP NA NA +MJ083678 Angiolam A; 9',10'-Dihydro C34H55NO7 589.397853 NA MeJP NA NA +MJ083679 Korsevine; 3-O-?-D-Glucoside C34H55NO7 589.397853 NA MeJP NA NA +MJ083680 2-Amino-3-hydroxy-15-methyl-4-hexadecene-1-sulfonic acid, N-(2R-Hydroxy-13-methyltetradecanoyl) C32H63NO6S 589.437609 NA MeJP NA NA +MJ083681 35-Amino-3-methyl-11-bacteriohopene-30,31,32,33,34-pentol C36H63NO5 589.470624 NA MeJP NA NA +MJ083682 2-Amino-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxy-15R-methyl-3E-octadecenoyl) C37H67NO4 589.507009 NA MeJP NA NA +3710 NA RNKPFKFML 589.82215 MH2+ Inhouse_peptide NA peptide +MJ083683 N-[[4-[Bis(2-iodoethyl)amino]phenoxy]carbonyl]glutamic acid C16H20I2N2O6 589.941073 NA MeJP NA NA +PJ007211 GCCCCC C17H30N6O7S5 590.078 NA PeJP NA NA +C04630 UDP-2-acetamido-4-amino-2,4,6-trideoxyglucose C17H28N4O15P2 590.1026 NA KEGG NA NA +C09763 Manniflavanone C30H22O13 590.106 NA KEGG NA NA +MJ083684 3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone; 3',3'''-Dihydroxy C30H22O13 590.10604 NA MeJP NA NA +MJ083685 3,3'',3''',4',4''',5,5'',7,7''-Nonahydroxy-3',6''-biflavanone C30H22O13 590.10604 NA MeJP NA NA +MJ083686 3,3',4',7-Tetrahydroxyflavan(4?2')-3,3',4',5',7-pentahydroxyflavone, 5''-Hydroxy C30H22O13 590.10604 NA MeJP NA NA +MJ083687 4a-Oxyrugulosin; 8,8'-Dihydroxy C30H22O13 590.10604 NA MeJP NA NA +MJ083688 Chiratanin C30H22O13 590.10604 NA MeJP NA NA +MJ083689 Julichrome Q5.5 C34H22O10 590.121296 NA MeJP NA NA +MJ083690 Mulberrofuran M C34H22O10 590.121296 NA MeJP NA NA +MJ083691 Antibiotic L 656575 C24H26N6O8S2 590.125353 NA MeJP NA NA +MJ083692 Hyperin; 2'',3'',6''-Tri-Ac C27H26O15 590.12717 NA MeJP NA NA +MJ083693 Salicin; 4',6'-Bis-O-(3,4,5-trihydroxybenzoyl) C27H26O15 590.12717 NA MeJP NA NA +FL5FACGA0035 Quercetin 3-(2'',3'',4''-triacetylgalactoside) C27H26O15 590.12717 146018-89-5 knapsack NA NA +MJ083694 2'-(3,4-Dihydroxyphenyl)-3,3',4,4'-tetrahydro-3,3',5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-[4,6'-bi-2H-1-benzopyran]-8'-carboxylic acid C31H26O12 590.142426 NA MeJP NA NA +MJ083695 2'-(3,4-Dihydroxyphenyl)-3,3',4,4'-tetrahydro-3,3',5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-[4,8'-bi-2H-benzopyran]-6'-carboxylic acid C31H26O12 590.142426 NA MeJP NA NA +PJ007212 CCNDH C20H30N8O9S2 590.1577 NA PeJP NA NA +PJ007213 GGCCDH C20H30N8O9S2 590.1578 NA PeJP NA NA +FL3FADCS0020 3'-O-Methylmaysin C28H30O14 590.16355 74158-05-7 knapsack NA NA +FL3FAECS0008 Cassiaoccidentalin C;6-C-(6-Deoxy-ribo-hexos-3-ulosyl)diomestin 2''-O-rhamnoside C28H30O14 590.16355 259876-01-2 knapsack NA NA +MJ083696 7-Hydroxy-3',4'-methylenedioxyisoflavone; O-Rutinoside C28H30O14 590.163555 NA MeJP NA NA +MJ083697 Cassiaoccidentalin B; 4'-Me ether C28H30O14 590.163555 NA MeJP NA NA +MJ083698 Maysin; 3'-Me ether C28H30O14 590.163555 NA MeJP NA NA +MJ083699 Fesumtuorin C C32H30O11 590.178811 NA MeJP NA NA +MJ083700 Fesumtuorin G C32H30O11 590.178811 NA MeJP NA NA +MJ083701 Flavomannin, 5?-Hydroxy, 3,3'-di-Me ether C32H30O11 590.178811 NA MeJP NA NA +MJ083702 Rivulobirin C C32H30O11 590.178811 NA MeJP NA NA +MJ083703 Rivulobirin E C32H30O11 590.178811 NA MeJP NA NA +PJ007214 GPPCCD C22H34N6O9S2 590.1829 NA PeJP NA NA +PJ007215 NNNDD C20H30N8O13 590.1933 NA PeJP NA NA +PJ007216 SCNMH C21H34N8O8S2 590.1941 NA PeJP NA NA +FL2FA9GM0004 Matteuorienate B; Matterionate B;5,7-Dihydroxy-6,8-di-C-methylflavanone 7-[6-(3-hydroxy-3-methylglutaryl)glucoside] C29H34O13 590.19994 161161-69-9 knapsack NA NA +FLIF1LGF0004 Amorphigenol O-glucoside C29H34O13 590.19994 29360-13-2 knapsack NA NA +FLIFHXGF0002 12-Dihydrodalbinol O-glucoside;12-Dihydrodalbin C29H34O13 590.19994 97640-97-6 knapsack NA NA +MJ083704 2,3-Epoxy-4,8,9,13,14-pentahydroxy-1(10),5,7(11)-germacratrien-12,6-olide, 8-Angeloyl, 14-(4-hydroxy-3-methyl-2E-butenoyl), 9,13-di-Ac C29H34O13 590.199941 NA MeJP NA NA +MJ083705 2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Angeloyl, 14-(4-hydroxy-3-methyl-2E-butenoyl), 9,13-di-Ac C29H34O13 590.199941 NA MeJP NA NA +MJ083706 5,7-Dihydroxy-6,8-dimethylflavanone, 7-O-[6-O-(3-Hydroxy-3-methylglutaroyl)-?-D-glucopyranoside] C29H34O13 590.199941 NA MeJP NA NA +MJ083707 Amorphigenin; 1',3'-Dihydro, 1'-hydroxy, 1'-O-?-D-glucopyranoside C29H34O13 590.199941 NA MeJP NA NA +MJ083708 Dalbinol; 6?-Alcohol, 2'-O-?-D-Glucopyranoside C29H34O13 590.199941 NA MeJP NA NA +MJ083709 Haperforin B3 C29H34O13 590.199941 NA MeJP NA NA +PJ007217 PNDDM C22H34N6O11S 590.2007 NA PeJP NA NA +PJ007218 DMYY C27H34N4O9S 590.2047 NA PeJP NA NA +PJ007219 GSSTCH C21H34N8O10S 590.2119 NA PeJP NA NA +PJ007220 GPCEW C26H34N6O8S 590.2159 NA PeJP NA NA +MJ083710 Gualamycin C21H38N2O17 590.217047 NA MeJP NA NA +PJ007221 GQEEE C22H34N6O13 590.2184 NA PeJP NA NA +PJ007222 GSPPCM C23H38N6O8S2 590.2193 NA PeJP NA NA +PJ007223 MMFY C28H38N4O6S2 590.2233 NA PeJP NA NA +PJ007224 GCQHF C25H34N8O7S 590.2271 NA PeJP NA NA +PJ007225 GGACHF C25H34N8O7S 590.2272 NA PeJP NA NA +PJ007226 ADDDR C21H34N8O12 590.2296 NA PeJP NA NA +PJ007227 GDDER C21H34N8O12 590.2297 NA PeJP NA NA +FL1DA9NC0009 Triuvaretin C37H34O7 590.23045 137398-70-0 knapsack NA NA +FL1DA9NC0010 Isotriuvaretin C37H34O7 590.23045 137397-72-9 knapsack NA NA +MJ083711 Isotriuvaretin C37H34O7 590.230453 NA MeJP NA NA +MJ083712 Triuvaretin C37H34O7 590.230453 NA MeJP NA NA +PJ007228 TCCKH C22H38N8O7S2 590.2305 NA PeJP NA NA +PJ007229 PCWW C30H34N6O5S 590.2312 NA PeJP NA NA +PJ007230 QEEW C26H34N6O10 590.2337 NA PeJP NA NA +MJ083713 1,15-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 1-[2-Hydroxy-3-(4-hydroxyphenyl)propanoyl], 15-O-?-D-glucopyranoside C30H38O12 590.236326 NA MeJP NA NA +MJ083714 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6,14-tetra-Ac C30H38O12 590.236326 NA MeJP NA NA +MJ083715 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6,14-tetra-Ac C30H38O12 590.236326 NA MeJP NA NA +MJ083716 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6,8-tetra-Ac C30H38O12 590.236326 NA MeJP NA NA +MJ083717 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-Benzoyl, 2,6,9,14-tetra-Ac C30H38O12 590.236326 NA MeJP NA NA +MJ083718 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6,8-tetra-Ac C30H38O12 590.236326 NA MeJP NA NA +MJ083719 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1-Benzoyl, 6,8,9,14-tetra-Ac C30H38O12 590.236326 NA MeJP NA NA +MJ083720 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6,8,14-tetra-Ac C30H38O12 590.236326 NA MeJP NA NA +MJ083721 2,14-Epoxy-1,2,3,6,8-pentahydroxy[4.2.11,4.110,30]tricyclomeliac-7-oic acid; 2-Me ether, Me ester, 1-Ac C30H38O12 590.236326 NA MeJP NA NA +MJ083722 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 4?,15-Dihydro, 8-[2-hydroxy-3-(4-hydroxyphenyl)propanoyl], 3-O-?-D-glucopyranoside C30H38O12 590.236326 NA MeJP NA NA +MJ083723 4,5,9,10-Tetrahydro-1,6-dimethyl-2,7-pyrenediol; Di-O-?-D-glucopyranoside C30H38O12 590.236326 NA MeJP NA NA +MJ083724 Affinoside A; 16?-Hydroxy C30H38O12 590.236326 NA MeJP NA NA +PJ007231 SPQEM C23H38N6O10S 590.237 NA PeJP NA NA +PJ007232 DFFY C31H34N4O8 590.2377 NA PeJP NA NA +MJ083725 Caryolivine C36H34N2O6 590.241686 NA MeJP NA NA +MJ083726 Cycleatjehine C36H34N2O6 590.241686 NA MeJP NA NA +MJ083727 Menisarine C36H34N2O6 590.241686 NA MeJP NA NA +MJ083728 Sciadoline C36H34N2O6 590.241686 NA MeJP NA NA +MJ083729 Stebisimine C36H34N2O6 590.241686 NA MeJP NA NA +MJ083730 Stephasubine C36H34N2O6 590.241686 NA MeJP NA NA +PJ007233 DDRW C25H34N8O9 590.2449 NA PeJP NA NA +PJ007234 SPCER C22H38N8O9S 590.2483 NA PeJP NA NA +PJ007235 AEWW C30H34N6O7 590.2489 NA PeJP NA NA +MJ083731 Detigloylswietenine; 3-Benzoyl C34H38O9 590.251582 NA MeJP NA NA +PJ007236 GPTMW C27H38N6O7S 590.2523 NA PeJP NA NA +3328 NA DTEAR 590.2539 celiac toxic Inhouse_peptide NA peptide +PJ007237 GKEEE C23H38N6O12 590.2548 NA PeJP NA NA +PJ007238 PVNMM C24H42N6O7S2 590.2557 NA PeJP NA NA +PJ007239 SPNHH C24H34N10O8 590.2561 NA PeJP NA NA +PJ007240 MFFF C32H38N4O5S 590.2563 NA PeJP NA NA +MJ083732 Jasmesosidic acid; 9''-Hydroxy, Me ester C27H42O14 590.257456 NA MeJP NA NA +MJ083733 Ergosta-5,24(28)-diene-3,4,21-triol, 3,21-Disulfate C28H46O9S2 590.258324 NA MeJP NA NA +PJ007241 GNNMR C21H38N10O8S 590.2595 NA PeJP NA NA +MJ083734 Rescimetol C33H38N2O8 590.262816 NA MeJP NA NA +PJ007242 GCKHF C26H38N8O6S 590.2635 NA PeJP NA NA +PJ007243 GTEER C22H38N8O11 590.266 NA PeJP NA NA +PJ007244 GPMMR C23H42N8O6S2 590.2669 NA PeJP NA NA +PJ007245 ASVEW C27H38N6O9 590.27 NA PeJP NA NA +PJ007246 KEEW C27H38N6O9 590.2701 NA PeJP NA NA +MJ083735 19-Hydroxyingol; 8-Tigloyl, 3,12,19-tri-Ac C31H42O11 590.272712 NA MeJP NA NA +MJ083736 3,5,14-Trihydroxy-16,19-dioxobufa-20,22-dienolide, 3-O-L-Thevetoside C31H42O11 590.272712 NA MeJP NA NA +MJ083737 4,18-Epoxy-1,3,6,19-tetrahydroxy-13-cleroden-15,16-olide, 19-Tigloyl, 1,3,6-tri-Ac C31H42O11 590.272712 NA MeJP NA NA +MJ083738 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-Tigloyl, tri-Ac C31H42O11 590.272712 NA MeJP NA NA +MJ083739 Bovocryptoside C31H42O11 590.272712 NA MeJP NA NA +MJ083740 Euphorianin C31H42O11 590.272712 NA MeJP NA NA +MJ083741 Gomphoside; 19-Oxo, 16?-acetoxy C31H42O11 590.272712 NA MeJP NA NA +MJ083742 Miotoxin B; 3'-Acetoxy, 4'-alcohol C31H42O11 590.272712 NA MeJP NA NA +PJ007247 SPKEM C24H42N6O9S 590.2734 NA PeJP NA NA +PJ007248 VFYY C32H38N4O7 590.2741 NA PeJP NA NA +PJ007249 SSNQR C21H38N10O10 590.2773 NA PeJP NA NA +PJ007250 TERW C26H38N8O8 590.2813 NA PeJP NA NA +PJ007251 GQQKM C23H42N8O8S 590.2846 NA PeJP NA NA +PJ007252 GVEMR C23H42N8O8S 590.2847 NA PeJP NA NA +PJ007253 SLWW C31H38N6O6 590.2853 NA PeJP NA NA +MJ083743 12-Hydroxyvilasinin; 1-Benzoyl, 12-Ac C35H42O8 590.287968 NA MeJP NA NA +MJ083744 12-Hydroxyvilasinin; 12-Benzoyl, 1-Ac C35H42O8 590.287968 NA MeJP NA NA +MJ083745 Arteminolide C35H42O8 590.287968 NA MeJP NA NA +MJ083746 Morellin; Di-Me acetal C35H42O8 590.287968 NA MeJP NA NA +MJ083747 Moreollin C35H42O8 590.287968 NA MeJP NA NA +MJ083748 Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Dibenzoyl C35H42O8 590.287968 NA MeJP NA NA +PJ007254 AALMW C28H42N6O6S 590.2887 NA PeJP NA NA +MJ083749 Lecimibide C34H40F2N4OS 590.289089 NA MeJP NA NA +HMDB00810 Dimethylprotoporphyrin IX dimethyl ester C36H38N4O4 590.289307 NA HMDB2010 NA NA +HMDB00810 Dimethylprotoporphyrin IX dimethyl ester C36H38N4O4 590.28931 http://www.hmdb.ca/metabolites/HMDB00810 HMDB NA NA +HMDB00810 Dimethylprotoporphyrin IX dimethyl ester C36H38N4O4 590.28931 HMDB00810 PFEM_hmdb_metabocards_official NA NA +PJ007255 SVKEE C24H42N6O11 590.2912 NA PeJP NA NA +PJ007256 PCLKM C25H46N6O6S2 590.292 NA PeJP NA NA +PJ007257 GLQHH C25H38N10O7 590.2925 NA PeJP NA NA +PJ007258 EMRR C22H42N10O7S 590.2959 NA PeJP NA NA +2713 erythromycin inhibitor MIIQS 590.2984 NA Inhouse_peptide NA peptide +MJ083750 Cryptophycin 4; O-De-Me C34H42N2O7 590.299201 NA MeJP NA NA +PJ007259 VMRW C27H42N8O5S 590.2999 NA PeJP NA NA +PJ007260 SSLER C23H42N8O10 590.3024 NA PeJP NA NA +PJ007261 AAHHR C24H38N12O6 590.3038 NA PeJP NA NA +PJ007262 ATTLW C28H42N6O8 590.3064 NA PeJP NA NA +MJ083751 11,12-Epoxy-3,14-dihydroxycard-20(22)-enolide, 3-O-(2-O-Acetyl-L-thevetoside) C32H46O10 590.309097 NA MeJP NA NA +MJ083752 2,19:4,18:15,16-Triepoxy-6,7,16,19-clerodanetetrol, 7,19-Ditigloyl, 6-Ac C32H46O10 590.309097 NA MeJP NA NA +MJ083753 Gnidiglaucin C32H46O10 590.309097 NA MeJP NA NA +MJ083754 Oscillatoxin B1 C32H46O10 590.309097 NA MeJP NA NA +MJ083755 Tanghinigenin; 3-O-(2-O-Acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside) C32H46O10 590.309097 NA MeJP NA NA +PJ007263 ALKEM C25H46N6O8S 590.3098 NA PeJP NA NA +C05791 D-Urobilinogen C33H42N4O6 590.3104 NA KEGG NA NA +C05792 Urobilins C33H42N4O6 590.3104 NA KEGG NA NA +C05794 Urobilin C33H42N4O6 590.3104 NA KEGG NA NA +HMDB04158 D-Urobilinogen C33H42N4O6 590.31042 http://www.hmdb.ca/metabolites/HMDB04158 HMDB NA NA +HMDB04160 I-Urobilin C33H42N4O6 590.31042 http://www.hmdb.ca/metabolites/HMDB04160 HMDB NA NA +HMDB04158 D-Urobilinogen C33H42N4O6 590.31042 HMDB04158 PFEM_hmdb_metabocards_official NA NA +HMDB04160 I-Urobilin C33H42N4O6 590.31042 HMDB04160 PFEM_hmdb_metabocards_official NA NA +HMDB04158 D-Urobilinogen C33H42N4O6 590.310425 NA HMDB2010 NA NA +HMDB04160 I-Urobilin C33H42N4O6 590.310425 NA HMDB2010 NA NA +MJ083756 23-(Hydroxymethyl)ergost-22-ene-3,5,6,15,25,26-hexol, 26-Sulfate C29H50O10S 590.312468 NA MeJP NA NA +MJ083757 Stigmast-22-ene-3,5,6,8,15,25,26-heptol, 26-Sulfate C29H50O10S 590.312468 NA MeJP NA NA +MJ083758 Stigmast-22-ene-3,5,6,8,15,28,29-heptol, 28-Sulfate C29H50O10S 590.312468 NA MeJP NA NA +PJ007264 SSNKR C22H42N10O9 590.3136 NA PeJP NA NA +PJ007265 GGSSKR C22H42N10O9 590.3137 NA PeJP NA NA +8265 f(141-146) of bovine kappa casein STVATL 590.315 NA ;SYN:3,3',5-Triiodo-L-thyronine; 3,3',5-Triiodothyronine; 3,5,3'-Triiodothyronine; 3,3',5'-triiodothyronine; 4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine; Cyronine; L-3,3',5-Triiodothyronine; L-3,3',5-triiodo-Thyronine; L-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-Alanine; L-Liothyronine; L-T3; L-Triiodothyronine; Liothyronin; Liothyronine; O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-Tyrosine; T3; Tresitope; Triiodo-L-thyronine; Triiodothyronine; 3,3',5'-triiodo-L-thyronineH2Blood; Saliva; Urine Inhouse_peptide NA peptide +PJ007266 GPVRY C27H42N8O7 590.3177 NA PeJP NA NA +PJ007267 ATLMR C24H46N8O7S 590.321 NA PeJP NA NA +PJ007268 GGAKKM C24H46N8O7S 590.3211 NA PeJP NA NA +PJ007269 TTLKE C25H46N6O10 590.3276 NA PeJP NA NA +PJ007270 PRRY C26H42N10O6 590.3289 NA PeJP NA NA +PJ007271 GCKKR C23H46N10O6S 590.3323 NA PeJP NA NA +MJ083759 2-[1,4'-Bipiperidin]-1'-yl-1-[2-[(4-chlorophenoxy)methyl]-1-[3-(3-piperidinyl)propyl]-1H-indol-3-yl]ethanone C35H47ClN4O2 590.338754 NA MeJP NA NA +PJ007272 TTTLR C24H46N8O9 590.3388 NA PeJP NA NA +PJ007273 APLKY C29H46N6O7 590.3428 NA PeJP NA NA +MJ083760 Viridominic acid A; 11?-Alcohol C33H50O9 590.345483 NA MeJP NA NA +PJ007274 SLLKM C26H50N6O7S 590.3462 NA PeJP NA NA +PJ007275 GVLFR C28H46N8O6 590.3541 NA PeJP NA NA +PJ007276 GKKKM C25H50N8O6S 590.3574 NA PeJP NA NA +MJ083761 Hunteriamine C38H46N4O2 590.362076 NA MeJP NA NA +MJ083762 Panganensine X C38H46N4O2 590.362076 NA MeJP NA NA +PJ007277 LFRR C27H46N10O5 590.3653 NA PeJP NA NA +MJ083763 Benextramine C32H54N4O2S2 590.368818 NA MeJP NA NA +PJ007278 STKKK C25H50N8O8 590.3752 NA PeJP NA NA +PJ007279 ALLKF C30H50N6O6 590.3792 NA PeJP NA NA +MJ083764 18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 18-Et ether, 7-decanoyl, 19-Ac C34H54O8 590.381868 NA MeJP NA NA +MJ083765 6,7-Epoxy-4,5,9,13,20-pentahydroxy-1-tiglien-3-one, 13-Tetradecanoyl C34H54O8 590.381868 NA MeJP NA NA +MJ083766 Ergosterol peroxide; 3-O-?-D-Glucopyranoside C34H54O8 590.381868 NA MeJP NA NA +MJ083767 Fusapyrone; 26-Deoxy C34H54O8 590.381868 NA MeJP NA NA +MJ083768 Huratoxin; 1,2,2',3',4',5'-Hexahydro C34H54O8 590.381868 NA MeJP NA NA +MJ083769 Huratoxin; 15,16,2',3',4',5'-Hexahydro C34H54O8 590.381868 NA MeJP NA NA +MJ083770 Isolasalocid A C34H54O8 590.381868 NA MeJP NA NA +MJ083771 Lasalocid A C34H54O8 590.381868 NA MeJP NA NA +MJ083772 12-Oleanene-1,3,23-triol, 3-O-?-L-Arabinopyranoside C35H58O7 590.418254 NA MeJP NA NA +MJ083773 12-Oleanene-3,15,16,21,22,28-hexol, 22-(3-Methylbutanoyl) C35H58O7 590.418254 NA MeJP NA NA +MJ083774 12-Oleanene-3,16,21,22,23,28-hexol, 21-(2-Methylbutanoyl) C35H58O7 590.418254 NA MeJP NA NA +MJ083775 12-Oleanene-3,16,21,22,23,28-hexol, 21-(3-Methylbutanoyl) C35H58O7 590.418254 NA MeJP NA NA +MJ083776 12-Oleanene-3,22,24-triol, 3-O-?-L-Arabinopyranoside C35H58O7 590.418254 NA MeJP NA NA +MJ083777 Cucurbita-5,24-diene-3,7,16-triol, 3-O-?-D-Xylopyranoside C35H58O7 590.418254 NA MeJP NA NA +MJ083778 Stigmast-5-en-3-ol, O-?-D-Glucuronopyranoside C35H58O7 590.418254 NA MeJP NA NA +MJ083779 Stigmast-5-ene-3,7-diol, 7-Ketone, 3-O-?-D-glucopyranoside C35H58O7 590.418254 NA MeJP NA NA +MJ083780 Stigmasta-5,28-diene-3,24-diol, 3-O-?-D-Glucopyranoside C35H58O7 590.418254 NA MeJP NA NA +MJ083781 Staphinine; Demethoxy C41H54N2O 590.423614 NA MeJP NA NA +C17568 Ubiquinone-6 C39H58O4 590.4335 NA KEGG NA NA +MJ083782 3,20-Lupanediol, 3-(4-Hydroxy-E-cinnamoyl) C39H58O4 590.43351 NA MeJP NA NA +MJ083783 3,20-Lupanediol, 3-(4-Hydroxy-Z-cinnamoyl) C39H58O4 590.43351 NA MeJP NA NA +MJ083784 7,8-Dimethoxy-2,5-dimethyl-2-(4,8,12,16,20-pentamethyl-3,7,11,15,19-heneicosapentaenyl)-2H-1-benzopyran-6-ol C39H58O4 590.43351 NA MeJP NA NA +MJ083785 Coenzyme Q; Coenzyme Q6 C39H58O4 590.43351 NA MeJP NA NA +MJ083786 Dammar-24-ene-3,20-diol, 3-(4-Hydroxycinnamoyl)(E-) C39H58O4 590.43351 NA MeJP NA NA +MJ083787 Stigmast-5-en-3-ol, O-(4-Hydroxy-3-methoxycinnamoyl) C39H58O4 590.43351 NA MeJP NA NA +MetaCyc03929 ubiquinone-6 [ubiquinone(6);] C39H58O4 590.43351 NA metacyc NA NA +MJ083788 Lanceolactin C40H62O3 590.469895 NA MeJP NA NA +MJ083789 ent-16?-Hydroxykauran-17-yl ent-15-kauren-17-oate C40H62O3 590.469895 NA MeJP NA NA +MJ083790 1-Pentacosene-4,6,8,10,12,14,16,22-octol, Octa-Me ether C33H66O8 590.475769 NA MeJP NA NA +MJ083791 Annojahnin C37H66O5 590.491025 NA MeJP NA NA +MJ083792 Uvariamicin I; 23,24-Didehydro(Z-) C37H66O5 590.491025 NA MeJP NA NA +HMDB07023 DG(14:0/20:3(5Z,8Z,11Z)/0:0) C37H66O5 590.491028 NA HMDB2010 NA NA +HMDB07024 DG(14:0/20:3(8Z,11Z,14Z)/0:0) C37H66O5 590.491028 NA HMDB2010 NA NA +HMDB07051 DG(14:1(9Z)/20:2(11Z,14Z)/0:0) C37H66O5 590.491028 NA HMDB2010 NA NA +HMDB07104 DG(16:0/18:3(6Z,9Z,12Z)/0:0) C37H66O5 590.491028 NA HMDB2010 NA NA +HMDB07105 DG(16:0/18:3(9Z,12Z,15Z)/0:0) C37H66O5 590.491028 NA HMDB2010 NA NA +HMDB07132 DG(16:1(9Z)/18:2(9Z,12Z)/0:0) C37H66O5 590.491028 NA HMDB2010 NA NA +HMDB07244 DG(18:2(9Z,12Z)/16:1(9Z)/0:0) C37H66O5 590.491028 NA HMDB2010 NA NA +HMDB07272 DG(18:3(6Z,9Z,12Z)/16:0/0:0) C37H66O5 590.491028 NA HMDB2010 NA NA +HMDB07301 DG(18:3(9Z,12Z,15Z)/16:0/0:0) C37H66O5 590.491028 NA HMDB2010 NA NA +HMDB07415 DG(20:2(11Z,14Z)/14:1(9Z)/0:0) C37H66O5 590.491028 NA HMDB2010 NA NA +HMDB07443 DG(20:3(5Z,8Z,11Z)/14:0/0:0) C37H66O5 590.491028 NA HMDB2010 NA NA +HMDB07472 DG(20:3(8Z,11Z,14Z)/14:0/0:0) C37H66O5 590.491028 NA HMDB2010 NA NA +HMDB05224 DG(16:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] C37H66O5 590.49103 http://www.hmdb.ca/metabolites/HMDB05224 HMDB NA NA +HMDB05224 DG(16:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] C37H66O5 590.49103 HMDB05224 PFEM_hmdb_metabocards_official NA NA +MJ083793 1,1',2,2',7,8-Hexahydro-?,?-carotene-1,1'-diol; 11,12-Dihydro, 1'-Me ether C41H66O2 590.506281 NA MeJP NA NA +MJ083794 2-[14-[3-(1,5-Dimethylhexyl)cyclopentyl]-3,7,11-trimethyltetradecyl]-3-methyl-1,4-naphthoquinone C41H66O2 590.506281 NA MeJP NA NA +C17566 Coixenolide C38H70O4 590.5274 NA KEGG NA NA +MJ083795 Coixenolide C38H70O4 590.52741 NA MeJP NA NA +MJ083796 1-Phytanoic acid, 2-Phytenyl ester (E-) C40H78O2 590.600181 NA MeJP NA NA +MJ083797 Lycopadiene; 13R,14R:13'S,14'S-Diepoxide C40H78O2 590.600181 NA MeJP NA NA +MetaCyc03930 trans-zeatin riboside triphosphate [ZTP;zeatin triphosphate;tZRTP;] C15H24N5O14P3 591.05326 NA metacyc NA NA +C16428 trans-Zeatin riboside triphosphate C15H24N5O14P3 591.0533 NA KEGG NA NA +MJ083798 Vancomycinic acid; 3-Dechloro C26H26ClN3O11 591.125586 NA MeJP NA NA +PJ007280 CCDDH C20H29N7O10S2 591.1418 NA PeJP NA NA +MJ083799 3-[6-(Acetylamino)-3-pyridinyl]-N-[2-[[2,4-dichloro-3-[[(2-methyl-8-quinolinyl)oxy]methyl]phenyl]methylamino]-2-oxoethyl]-2-propenamide C30H27Cl2N5O4 591.144009 NA MeJP NA NA +PJ007281 TCCCY C22H33N5O8S3 591.1491 NA PeJP NA NA +PJ007282 NNDDD C20H29N7O14 591.1773 NA PeJP NA NA +PJ007283 SCDMH C21H33N7O9S2 591.1781 NA PeJP NA NA +PJ007284 GCCFY C26H33N5O7S2 591.1822 NA PeJP NA NA +PJ007285 PDDDM C22H33N5O12S 591.1847 NA PeJP NA NA +PJ007286 GSPCND C21H33N7O11S 591.1959 NA PeJP NA NA +PJ007287 ACMMH C22H37N7O6S3 591.1968 NA PeJP NA NA +PJ007288 GSCYY C26H33N5O9S 591.1999 NA PeJP NA NA +MJ083800 ?-D-Neuraminopyranosyl-(2?3)-?-D-galactopyranosyl-(1?4)-D-glucose; Pyranose-form C21H37NO18 591.201063 NA MeJP NA NA +MJ083801 Antibiotic C 8030B C22H33N5O14 591.2024 NA MeJP NA NA +PJ007289 GEEEE C22H33N5O14 591.2024 NA PeJP NA NA +PJ007290 CNNNQ C20H33N9O10S 591.2071 NA PeJP NA NA +PJ007291 GGGGGGCQ C20H33N9O10S 591.2072 NA PeJP NA NA +PJ007292 GCEHF C25H33N7O8S 591.2112 NA PeJP NA NA +PJ007293 SNNEE C21H33N7O13 591.2137 NA PeJP NA NA +PJ007294 SSMMH C22H37N7O8S2 591.2145 NA PeJP NA NA +PJ007295 EEEW C26H33N5O11 591.2177 NA PeJP NA NA +PJ007296 SPEEM C23H37N5O11S 591.2211 NA PeJP NA NA +PJ007297 GSSNNN C20H33N9O12 591.2249 NA PeJP NA NA +PJ007298 PCCNR C21H37N9O7S2 591.2258 NA PeJP NA NA +PJ007299 CHFW C29H33N7O5S 591.2264 NA PeJP NA NA +PJ007300 GSNEW C25H33N7O10 591.2289 NA PeJP NA NA +MJ083802 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1,2,6,14-tetra-Ac C29H37NO12 591.231575 NA MeJP NA NA +PJ007301 GQQEM C22H37N7O10S 591.2323 NA PeJP NA NA +PJ007302 PPCEF C27H37N5O8S 591.2363 NA PeJP NA NA +PJ007303 SVEEE C23H37N5O13 591.2388 NA PeJP NA NA +PJ007304 PVDMM C24H41N5O8S2 591.2397 NA PeJP NA NA +PJ007305 SPDHH C24H33N9O9 591.2402 NA PeJP NA NA +PJ007306 GNDMR C21H37N9O9S 591.2435 NA PeJP NA NA +PJ007307 SNWW C29H33N7O7 591.2442 NA PeJP NA NA +MJ083803 Rocaglatic acid; 4-Hydroxybutylamide, 1-Ac C33H37NO9 591.246831 NA MeJP NA NA +PJ007308 QQMW C26H37N7O7S 591.2475 NA PeJP NA NA +PJ007309 GGAAMW C26H37N7O7S 591.2476 NA PeJP NA NA +PJ007310 SNDKE C22H37N7O12 591.25 NA PeJP NA NA +PJ007311 GGSDKE C22H37N7O12 591.2501 NA PeJP NA NA +PJ007312 PCNKM C23H41N7O7S2 591.2509 NA PeJP NA NA +PJ007313 GNQHH C23H33N11O8 591.2514 NA PeJP NA NA +PJ007314 SPPEY C27H37N5O10 591.2541 NA PeJP NA NA +PJ007315 ALEEM C24H41N5O10S 591.2574 NA PeJP NA NA +PJ007316 CQRW C25H37N9O6S 591.2588 NA PeJP NA NA +PJ007317 SSNER C21H37N9O11 591.2613 NA PeJP NA NA +MJ083804 Antibiotic SF 2240 C26H37N7O9 591.265275 NA MeJP NA NA +PJ007318 GSDKW C26H37N7O9 591.2653 NA PeJP NA NA +PJ007319 GQKEM C23H41N7O9S 591.2687 NA PeJP NA NA +PJ007320 PPCLY C28H41N5O7S 591.2727 NA PeJP NA NA +PJ007321 TTLEE C24H41N5O12 591.2752 NA PeJP NA NA +PJ007322 PTLMM C25H45N5O7S2 591.2761 NA PeJP NA NA +PJ007323 GSSRW C25H37N9O8 591.2765 NA PeJP NA NA +2733 regulating the frequency of heart muscles contraction peptide DRFGDKDIAF 591.27685 MH2+ Inhouse_peptide NA peptide +2939 myelopeptide VVYPD 591.2779 celiac toxic Inhouse_peptide NA peptide +PJ007324 GTQMR C22H41N9O8S 591.2799 NA PeJP NA NA +PJ007325 AAHFF C30H37N7O6 591.2806 NA PeJP NA NA +PJ007326 QKMW C27H41N7O6S 591.2839 NA PeJP NA NA +PJ007327 STQKE C23H41N7O11 591.2864 NA PeJP NA NA +PJ007328 GNKHH C24H37N11O7 591.2878 NA PeJP NA NA +PJ007329 APLEY C28H41N5O9 591.2905 NA PeJP NA NA +PJ007330 GTCRR C21H41N11O7S 591.2911 NA PeJP NA NA +PJ007331 LHHW C29H37N9O5 591.2918 NA PeJP NA NA +PJ007332 SLLEM C25H45N5O9S 591.2938 NA PeJP NA NA +PJ007333 CKRW C26H41N9O5S 591.2952 NA PeJP NA NA +PJ007334 SSDKR C22H41N9O10 591.2977 NA PeJP NA NA +PJ007335 GTTKW C27H41N7O8 591.3017 NA PeJP NA NA +MJ083805 Viridiofungin A C31H45NO10 591.304346 NA MeJP NA NA +PJ007336 TCLQK C24H45N7O8S 591.305 NA PeJP NA NA +PJ007337 GKKEM C24H45N7O8S 591.3051 NA PeJP NA NA +MJ083806 Amphibine H; N-De-Me C32H41N5O6 591.305684 NA MeJP NA NA +MJ083807 Mauritine E C32H41N5O6 591.305684 NA MeJP NA NA +MJ083808 Nummularine N C32H41N5O6 591.305684 NA MeJP NA NA +MJ083809 ?-Ergocryptine; 8?-Hydroxy C32H41N5O6 591.305684 NA MeJP NA NA +PJ007338 SSSRR C21H41N11O9 591.3089 NA PeJP NA NA +PJ007339 PVVMF C29H45N5O6S 591.3091 NA PeJP NA NA +MJ083810 Fluphenazine; Decanoyl C32H44F3N3O2S 591.310632 NA MeJP NA NA +PJ007340 VVLMM C26H49N5O6S2 591.3125 NA PeJP NA NA +PJ007341 AAQFR C26H41N9O7 591.3129 NA PeJP NA NA +3087 gluten C exorphin YPISL 591.315 celiac toxic Inhouse_peptide NA peptide +3788 NA YPLSL 591.315 ACE inhibitor Inhouse_peptide NA peptide +PJ007342 GTKMR C23H45N9O7S 591.3163 NA PeJP NA NA +PJ007343 KKMW C28H45N7O5S 591.3203 NA PeJP NA NA +PJ007344 STKKE C24H45N7O10 591.3228 NA PeJP NA NA +PJ007345 NFRR C25H41N11O6 591.3241 NA PeJP NA NA +PJ007346 GGFRR C25H41N11O6 591.3242 NA PeJP NA NA +PJ007347 SPLLY C29H45N5O8 591.3268 NA PeJP NA NA +EUR790 Lyso PC 22:5 [M+Na]+ C30H52NO7P 591.330088 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR790 Lyso PC 22:5 [M+Na]+ C30H52NO7P 591.330088 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR790 Lyso PC 22:5 [M+Na]+ C30H52NO7P 591.330088 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR790 Lyso PC 22:5 [M+Na]+ C30H52NO7P 591.330088 masses lipides attendues Inhousejuil11 NA NA +PJ007348 STTKR C23H45N9O9 591.334 NA PeJP NA NA +PJ007349 GPKKY C28H45N7O7 591.3381 NA PeJP NA NA +MJ083811 Germine; O15-Angeloyl C32H49NO9 591.340732 NA MeJP NA NA +MJ083812 Veracevine; 3-(Z)-2-Methyl-2-butenoyl C32H49NO9 591.340732 NA MeJP NA NA +PJ007350 SVKKM C25H49N7O7S 591.3414 NA PeJP NA NA +MJ083813 Discarine K C33H45N5O5 591.342069 NA MeJP NA NA +PJ007351 AAKFR C27H45N9O6 591.3493 NA PeJP NA NA +EUR762 Lyso PC 20:3 [M+FA-H]- C28H52NO7P 591.353022 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR762 Lyso PC 20:3 [M+FA-H]- C28H52NO7P 591.353022 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR762 Lyso PC 20:3 [M+FA-H]- C28H52NO7P 591.353022 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR762 Lyso PC 20:3 [M+FA-H]- C28H52NO7P 591.353022 masses lipides attendues Inhousejuil11 NA NA +EUR584 LysoPC(20:3) [M+FA-H]- 591.353025 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR584 LysoPC(20:3) [M+FA-H]- 591.353025 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR584 LysoPC(20:3) [M+FA-H]- 591.353025 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR584 LysoPC(20:3) [M+FA-H]- 591.353025 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR584 LysoPC(20:3) [M+FA-H]- 591.353025 identifiés dans sérum NuGO HMDB NA NA +EUR584 LysoPC(20:3) [M+FA-H]- 591.353025 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR584 LysoPC(20:3) [M+FA-H]- 591.353025 identifies dans serum NuGO Inhousejuil11 NA NA +EUR584 LysoPC(20:3) [M+FA-H]- 591.353025 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR584 LysoPC(20:3) [M+FA-H]- 591.353025 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +MJ083814 Destruxin A4 C30H49N5O7 591.363198 NA MeJP NA NA +MJ083815 Destruxin A; Destruxin A1 C30H49N5O7 591.363198 NA MeJP NA NA +MJ083816 Roseotoxin B C30H49N5O7 591.363198 NA MeJP NA NA +PJ007352 ALLLY C30H49N5O7 591.3632 NA PeJP NA NA +MJ083817 Beauverolide C C35H49N3O5 591.367221 NA MeJP NA NA +PJ007353 GLKKF C29H49N7O6 591.3745 NA PeJP NA NA +MJ083818 Cevane-3,6,20-triol, 6-Ketone, 3-O-?-D-glucopyranoside C33H53NO8 591.377117 NA MeJP NA NA +MJ083819 Imperialine; O3-?-D-Glucoside C33H53NO8 591.377117 NA MeJP NA NA +MJ083820 Myxovirescin A; Myxovirescin A1, 33-Demethoxy, 2,3-didehydro C34H57NO7 591.413503 NA MeJP NA NA +MJ083821 Ningpeisine; O-?-D-Glucopyranoside C34H57NO7 591.413503 NA MeJP NA NA +MJ083822 Rhinolidine; 3-O-?-D-Glucopyranoside C34H57NO7 591.413503 NA MeJP NA NA +EUR806 Lyso PC 24:1 [M-H-CH3]- C32H64NO7P 591.426392 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR806 Lyso PC 24:1 [M-H-CH3]- C32H64NO7P 591.426392 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR806 Lyso PC 24:1 [M-H-CH3]- C32H64NO7P 591.426392 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR806 Lyso PC 24:1 [M-H-CH3]- C32H64NO7P 591.426392 masses lipides attendues Inhousejuil11 NA NA +MJ083823 Ocular age pigment A2-E C42H58NO(+) 591.444015 NA MeJP NA NA +MJ083824 35-Amino-3-methyl-30,31,32,33,34-bacteriohopanepentol C36H65NO5 591.486274 NA MeJP NA NA +MJ083825 2,2',3,4,4'-Pentabromo-6,6'-dihydroxydiphenyl ether C12H5Br5O3 591.615557 NA MeJP NA NA +MJ083826 2,3',4,5'-Tetrabromo-2',6-dihydroxydiphenyl ether; 3-Bromo C12H5Br5O3 591.615557 NA MeJP NA NA +MJ083827 2,3',4,5'-Tetrabromo-2',6-dihydroxydiphenyl ether; 5-Bromo C12H5Br5O3 591.615557 NA MeJP NA NA +MJ083828 Rubrolide E; 3',3'',5',5''-Tetrabromo C17H8Br4O4 591.715609 NA MeJP NA NA +3989 Human urotensin II ETPDCFWKYCV 591.76995 MH2+ Inhouse_peptide NA peptide +3664 NA RNIAEIIKDI 591.8399 MH2+ Inhouse_peptide NA peptide +MJ083829 Isoplagiochin C; 2,6',8',10,10'-Pentachloro C28H17Cl5O4 591.956947 NA MeJP NA NA +MJ083830 Isoplagiochin C; 6',8',10,10',14'-Pentachloro C28H17Cl5O4 591.956947 NA MeJP NA NA +MJ083831 Sirodesmin A; Tetrasulfide homologue, 2a-Ac C22H28N2O9S4 592.067763 NA MeJP NA NA +MJ083832 Glochiin M1 C26H24O16 592.106434 NA MeJP NA NA +MJ083833 1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; Hexa-Ac C30H24O13 592.12169 NA MeJP NA NA +MJ083834 3,3',4',5',7-Pentahydroxyflavan(4?2')-3,3',4',5',7-pentahydroxyflavanone C30H24O13 592.12169 NA MeJP NA NA +MJ083835 3,3',4',5',7-Pentahydroxyflavan(4?6)-3,3',4',5',7-pentahydroxyflavanone C30H24O13 592.12169 NA MeJP NA NA +MJ083836 3,3',4',5',7-Pentahydroxyflavan(4?8)-3,3',4',5',7-pentahydroxyflavanone C30H24O13 592.12169 NA MeJP NA NA +MJ083837 3,3',4',5,5',7-Hexahydroxyflavan-(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan C30H24O13 592.12169 NA MeJP NA NA +MJ083838 3,3',4',5,7-Pentahydroxyflavan(2'?2')-3,3',4',5,7-pentahydroxyflavanone C30H24O13 592.12169 NA MeJP NA NA +MJ083839 3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavanone, 5'''-Hydroxy C30H24O13 592.12169 NA MeJP NA NA +MJ083840 Mulberrofuran Q C34H24O10 592.136946 NA MeJP NA NA +MJ083841 Stentorin C34H24O10 592.136946 NA MeJP NA NA +MJ083842 3',4',5,7-Tetrahydroxyflavone; 7-O-[3''-O-Acetyl-?-D-apiofuranosyl-(1?2)-?-D-xylopyranoside] C27H28O15 592.14282 NA MeJP NA NA +MJ083843 3',4',5,7-Tetrahydroxyflavone; 7-O-[3-Hydroxy-3-methylglutaryl-(?6)-?-D-glucopyranoside] C27H28O15 592.14282 NA MeJP NA NA +MJ083844 4',5,6,7-Tetrahydroxyflavone; 7-O-[3-Hydroxy-3-methylglutaroyl-(1?6)-?-D-glucopyranoside] C27H28O15 592.14282 NA MeJP NA NA +MJ083845 4',5,7-Trihydroxyflavone; 4'-O-?-L-Rhamnopyranoside, 7-O-?-D-glucuronopyranoside C27H28O15 592.14282 NA MeJP NA NA +MJ083846 4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galacturonopyranoside] C27H28O15 592.14282 NA MeJP NA NA +MJ083847 4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranoside] C27H28O15 592.14282 NA MeJP NA NA +MJ083848 Astragalin; 6''-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl) C27H28O15 592.14282 NA MeJP NA NA +MetaCyc03931 apigenin 7-O-neohesperidoside [] C27H28O15 592.14282 NA metacyc NA NA +FL3FAAGS0024 Apigenin 7-rhamnosyl-(1->2)-galacturonide C27H28O15 592.14282 124167-97-1 knapsack NA NA +FL3FAAGS0028 Apigenin 7-glucuronide-4'-rhamnoside C27H28O15 592.14282 58970-78-8 knapsack NA NA +FL3FACGS0056 Luteolin 7-(3'''-acetylapiosyl-(1->2)-xyloside) C27H28O15 592.14282 63902-77-2 knapsack NA NA +FL3FACGS0067 Luteolin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one C27H28O15 592.14282 151750-81-1 knapsack NA NA +FL3FEAGS0029 6-Hydroxyapigenin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside];Scutellarein 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,6-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C27H28O15 592.14282 151750-82-2 knapsack NA NA +FL5FAAGL0063 Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside];3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C27H28O15 592.14282 157407-84-6 knapsack NA NA +FL5FAIGL0005 3',5'-O-Dimethylmyricetin 3-O-beta-D-2'',3''-diacetylglucopyranoside;Syringetin 3-(2'',3''-diacetylglucoside);3-[(2,3-Di-O-acetyl-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one C27H28O15 592.14282 600736-89-8 knapsack NA NA +MJ083849 7a,8a,15b,15c-Tetrahydro-1,7a,8a,15-tetrahydroxy-6,10-diphenyl-7H,9H-diphenaleno[1,2-b:1,2-d]furan-7,9-dione C38H24O7 592.152203 NA MeJP NA NA +MJ083850 2-Decarboxybetanidin; 5-O-(6-O-Malonyl-?-D-glucopyranoside) C26H29N2O14(+) 592.154053 NA MeJP NA NA +PJ007354 CCCQH C20H32N8O7S3 592.1556 NA PeJP NA NA +MJ083851 3',4',5,7-Tetrahydroxyisoflavone; 7-Me ether, 3'-O-[3-O-E-cinnamoyl-?-D-glucopyranoside] C31H28O12 592.158076 NA MeJP NA NA +MJ083852 3,4',5,7-Tetrahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 5'''-Hydroxy, 4'''-Me ether C31H28O12 592.158076 NA MeJP NA NA +MJ083853 Aurasperone C C31H28O12 592.158076 NA MeJP NA NA +MJ083854 Fomidacillin C24H28N6O10S 592.158761 NA MeJP NA NA +PJ007355 NDDDD C20H28N6O15 592.1613 NA PeJP NA NA +PJ007356 GSSCCH C20H32N8O9S2 592.1734 NA PeJP NA NA +C04275 1,2-Bis-O-sinapoyl-beta-D-glucoside C28H32O14 592.1792 NA KEGG NA NA +C04276 1,6-alpha-D-Mannosyloligosaccharide C12H21O10 592.1792 NA KEGG NA NA +C12629 7-O-Methylvitexin 2''-O-beta-L-rhamnoside C28H32O14 592.1792 NA KEGG NA NA +FL2F1AGS0005 Liquiritigenin 7-(3-acetylapiofuranoside)-4'-glucoside;7,4'-Dihydroxyflavanone 7-(3-acetylapiofuranoside)-4'-glucoside C28H32O14 592.1792 199796-13-9 knapsack NA NA +FL2F1AGS0006 Liquiritigenin 4'-[3-acetylapiosyl-(1->2)-glucoside];7,4'-Dihydroxyflavanone 4'-[3-acetylapiosy-l(1->2)-glucoside] C28H32O14 592.1792 226946-10-7 knapsack NA NA +FL3FABCS0004 Isomargaritene C28H32O14 592.1792 64271-11-0 knapsack NA NA +FL3FABCS0005 Margaritene C28H32O14 592.1792 64271-10-9 knapsack NA NA +FL3FABCS0008 Isocytisoside 3''-O-alpha-L-rhamnopyranoside;6-[3-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C28H32O14 592.1792 71926-07-3 knapsack NA NA +FL3FABCS0011 Cytisoside 3''-O-beta-D-rhamnopyranoside C28H32O14 592.1792 360562-72-7 knapsack NA NA +FL3FABGS0005 Acacetin 7-rutinoside C28H32O14 592.1792 480-36-4 knapsack NA NA +FL3FABGS0006 Acacetin 7-neohesperidoside C28H32O14 592.1792 20633-93-6 knapsack NA NA +FL3FADCS0021 2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteoiin C28H32O14 592.1792 - knapsack NA NA +FL3FAEDS0001 Torosaflavone B 3'-O-beta-D-glucopyranoside C28H32O14 592.1792 141360-87-4 knapsack NA NA +FL3FBBGS0001 5,4'-Dimethoxyflavone 7-xylosyl-(1->6)-glucoside;5-Methoxy-2-(4-methoxyphenyl)-7-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one C28H32O14 592.1792 251660-68-1 knapsack NA NA +FL3FCACS0016 Swertisin 2''-O-rhamnoside C28H32O14 592.1792 83889-78-5 knapsack NA NA +FL3FCACS0018 Fagovatin C28H32O14 592.1792 113919-56-5 knapsack NA NA +FL3FCACS0021 Isoswertisin 2''-O-rhamnoside C28H32O14 592.1792 64821-00-7 knapsack NA NA +FL3FCADS0002 Flavocummelin;Swertisin 4'-O-rhamnoside C28H32O14 592.1792 68027-86-1 knapsack NA NA +FL3FCADS0006 Isoswertisin 4'-O-rhamnoside C28H32O14 592.1792 83668-89-7 knapsack NA NA +FL3FCBCS0004 Isomollupentin 7,4'-dimethyl ether 2''-O-glucoside C28H32O14 592.1792 77390-44-4 knapsack NA NA +FL3FCBCS0009 7,4'-Di-O-Methylisomollupentin 2''-O-glucoside C28H32O14 592.1792 - knapsack NA NA +FL3FE9GS0012 Baicalein 6-methyl ether 7-glucosyl-(1->3)-rhamnoside C28H32O14 592.1792 - knapsack NA NA +FL5FA9GL0003 Cannabin C28H32O14 592.1792 26260-14-0 knapsack NA NA +FL5FABGS0007 Kaempferide 3,7-dirhamnoside C28H32O14 592.1792 111128-11-1 knapsack NA NA +FLIA1AGS0007 Formononetin 7-O-laminaribioside C28H32O14 592.1792 56222-47-0 knapsack NA NA +FLIA3AGS0001 Retusin 7-O-neohesperidoside C28H32O14 592.1792 78386-04-6 knapsack NA NA +FLIAABGS0002 Biochanin A 7-O-rutinoside C28H32O14 592.1792 53840-60-1 knapsack NA NA +MJ083855 1,3,6-Trihydroxy-7-methylanthraquinone; 1-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083856 1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083857 1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083858 1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 8-O-[?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083859 1,3-Dihydroxy-6-methylanthraquinone; 3-Me ether, 1-O-?-gentiobioside C28H32O14 592.179205 NA MeJP NA NA +MJ083860 2',5,7-Trihydroxyflavanone, 2'-Me ether, 7-glycoside C28H32O14 592.179205 NA MeJP NA NA +MJ083861 2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl), 14-(4-hydroxy-3-methyl-2E-butenoyl), 9,13-di-Ac C28H32O14 592.179205 NA MeJP NA NA +MJ083862 3',4',7-Trihydroxyisoflavone; 4'-Me ether, 7-O-[?-L-rhamnopyranosyl-(1??)-?-D-glucopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083863 3,5,7-Trihydroxy-4'-methoxyflavone; 3,7-Di-O-?-L-rhamnopyranoside C28H32O14 592.179205 NA MeJP NA NA +MJ083864 3,5,7-Trihydroxyflavone; 7-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083865 4',5,7-Trihydroxyflavone; 4',5-Di-Me ether, 7-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083866 4',5-Dihydroxy-7-methoxyflavone; 4'-O-[Glucosyl-(1??)-rhamnoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083867 4',5-Dihydroxy-7-methoxyflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083868 4',5-Dihydroxy-7-methoxyflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083869 4',6,7-Trihydroxyisoflavone; 4',6-Di-Me ether, 7-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083870 4',7,8-Trihydroxyisoflavone; 4'-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083871 4',7-Dihydroxyflavanone, 4'-O-[3-O-Acetyl-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083872 4',7-Dihydroxyflavanone, 7-O-(3-O-Acetyl-?-D-apiofuranoside), 4'-O-?-D-glucopyranoside C28H32O14 592.179205 NA MeJP NA NA +MJ083873 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083874 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083875 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083876 5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-(Rhamnosylglucoside) C28H32O14 592.179205 NA MeJP NA NA +MJ083877 5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-Rutinoside C28H32O14 592.179205 NA MeJP NA NA +MJ083878 5,7-Dihydroxy-6-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083879 5-Hydroxy-4',7-dimethoxyflavone; 5-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083880 7-Hydroxy-4'-methoxyisoflavone; 7-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083881 7-Hydroxy-4'-methoxyisoflavone; 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O14 592.179205 NA MeJP NA NA +MJ083882 Isocytisoside; 2''-O-?-L-Rhamnopyranosyl C28H32O14 592.179205 NA MeJP NA NA +MJ083883 Isocytisoside; 3''-O-?-L-Rhamnopyranosyl C28H32O14 592.179205 NA MeJP NA NA +MJ083884 Isomollupentin; 4',7-Di-Me ether, 2''-O-?-D-glucopyranoside C28H32O14 592.179205 NA MeJP NA NA +MJ083885 Maysin; 4''?-Alcohol, 3'-Me ether C28H32O14 592.179205 NA MeJP NA NA +MJ083886 Picrodendrin N C28H32O14 592.179205 NA MeJP NA NA +MJ083887 Swertiamarin; 4'-(4-Hydroxy-3-methoxycinnamoyl)(E-), 2'-Ac C28H32O14 592.179205 NA MeJP NA NA +MJ083888 Swertiamarin; 4'-(4-Hydroxy-3-methoxycinnamoyl)(Z-), 2'-Ac C28H32O14 592.179205 NA MeJP NA NA +MJ083889 Swertisin; 2''-O-?-L-Rhamnopyranosyl C28H32O14 592.179205 NA MeJP NA NA +MJ083890 Swertisin; 4'-O-?-L-Rhamnopyranoside C28H32O14 592.179205 NA MeJP NA NA +MJ083891 Swertisin; 6''-O-?-L-Rhamnopyranosyl C28H32O14 592.179205 NA MeJP NA NA +MJ083892 Torosaflavone B; 3'-O-?-D-Glucopyranoside C28H32O14 592.179205 NA MeJP NA NA +MJ083893 Vitexin; 4'-Me ether, 2''-O-?-L-rhamnopyranosyl C28H32O14 592.179205 NA MeJP NA NA +MJ083894 Vitexin; 7-Me ether, 2''-O-?-L-rhamnopyranosyl C28H32O14 592.179205 NA MeJP NA NA +MetaCyc03932 7-O-methylvitexin 2-O-β-L-rhamnoside''$$$''$$$'' [] C28H32O14 592.179206 NA metacyc NA NA +MetaCyc03933 1,2-di-O-sinapoyl-β-D-glucose [1,2-bis-O-sinapoyl-β-D-glucoside;] C28H32O14 592.179206 NA metacyc NA NA +PJ007357 GSPCDD C21H32N6O12S 592.1799 NA PeJP NA NA +PJ007358 APPCCC C22H36N6O7S3 592.1808 NA PeJP NA NA +PJ007359 CNNNE C20H32N8O11S 592.1911 NA PeJP NA NA +PJ007360 GGCNNE C20H32N8O11S 592.1912 NA PeJP NA NA +PJ007361 CCCKH C21H36N8O6S3 592.192 NA PeJP NA NA +PJ007362 SNDEE C21H32N6O14 592.1977 NA PeJP NA NA +PJ007363 PCNEM C22H36N6O9S2 592.1985 NA PeJP NA NA +PJ007364 GGPCEM C22H36N6O9S2 592.1986 NA PeJP NA NA +MJ083895 Phoeniceroside C25H36O16 592.200335 NA MeJP NA NA +PJ007365 GCNNW C24H32N8O8S 592.2064 NA PeJP NA NA +PJ007366 GSSNND C20H32N8O13 592.2089 NA PeJP NA NA +PJ007367 PCCDR C21H36N8O8S2 592.2098 NA PeJP NA NA +PJ007368 GSDEW C25H32N6O11 592.2129 NA PeJP NA NA +PJ007369 GPCMW C26H36N6O6S2 592.2138 NA PeJP NA NA +MJ083896 8-Hydroxypinoresinol; 4'-Me ether, 8-Ac, 4-O-?-D-glucopyranoside C29H36O13 592.215591 NA MeJP NA NA +MJ083897 Campneoside I; Demethoxy, 3',4'-dideoxy C29H36O13 592.215591 NA MeJP NA NA +PJ007370 GQEEM C22H36N6O11S 592.2163 NA PeJP NA NA +MJ083898 Maytansinol; N-De-Me, 3-Ac C29H37ClN2O9 592.218758 NA MeJP NA NA +MJ083899 Punjabine C35H32N2O7 592.220951 NA MeJP NA NA +PJ007371 GDDMR C21H36N8O10S 592.2275 NA PeJP NA NA +PJ007372 GGGGGGTM C21H36N8O10S 592.2276 NA PeJP NA NA +PJ007373 SDWW C29H32N6O8 592.2282 NA PeJP NA NA +MJ083900 Gaudichaudiic acid C C33H36O10 592.230847 NA MeJP NA NA +MJ083901 Nomilinic acid; Lactone, O-de-Ac, O-(4-hydroxybenzoyl) C33H36O10 592.230847 NA MeJP NA NA +PJ007374 QEMW C26H36N6O8S 592.2316 NA PeJP NA NA +PJ007375 TTNEE C22H36N6O13 592.234 NA PeJP NA NA +PJ007376 STQEE C22H36N6O13 592.2341 NA PeJP NA NA +PJ007377 SPQMM C23H40N6O8S2 592.2349 NA PeJP NA NA +PJ007378 GNEHH C23H32N10O9 592.2354 NA PeJP NA NA +MJ083902 Cholest-5-ene-2,3,4,21-tetrol, 24,25-Didehydro, 3,21-disulfate C27H44O10S2 592.237589 NA MeJP NA NA +MJ083903 Cholesta-5,25-diene-3,4,21,24-tetrol, 3,21-Disulfate C27H44O10S2 592.237589 NA MeJP NA NA +PJ007379 SCNNR C20H36N10O9S 592.2388 NA PeJP NA NA +MJ083904 Reserpic acid; O-(3-Methoxy-4,5-methylenedioxybenzoyl), Me ester C32H36N2O9 592.24208 NA MeJP NA NA +PJ007380 CERW C25H36N8O7S 592.2428 NA PeJP NA NA +PJ007381 SSDER C21H36N8O12 592.2453 NA PeJP NA NA +PJ007382 SPCMR C22H40N8O7S2 592.2462 NA PeJP NA NA +PJ007383 AMWW C30H36N6O5S 592.2468 NA PeJP NA NA +PJ007384 GTTEW C26H36N6O10 592.2493 NA PeJP NA NA +PJ007385 NHHW C27H32N10O6 592.2506 NA PeJP NA NA +PJ007386 GGHHW C27H32N10O6 592.2507 NA PeJP NA NA +MJ083905 1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 1-[2-Hydroxy-3-(4-hydroxyphenyl)propanoyl], 15-O-?-D-glucopyranoside C30H40O12 592.251976 NA MeJP NA NA +MJ083906 1,7-Bis(4-hydroxyphenyl)-3-heptanone; 4''-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C30H40O12 592.251976 NA MeJP NA NA +MJ083907 2,3,5,7,15-Pentahydroxy-6(17),11-jatrophadiene-9,14-dione, Penta-Ac C30H40O12 592.251976 NA MeJP NA NA +MJ083908 4,18:11,16:15,16-Triepoxy-7,14-clerodadiene-2,3,6,19-tetrol, 3-(2-Acetoxy-2-methylpropanoyl), 6,19-di-Ac C30H40O12 592.251976 NA MeJP NA NA +MJ083909 4,18:15,16-Diepoxy-13(16),14-clerodadiene-3,6,12,19,20-pentol, Penta-Ac C30H40O12 592.251976 NA MeJP NA NA +MJ083910 4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 3-Ketone, 6,7,9,14,20-penta-Ac C30H40O12 592.251976 NA MeJP NA NA +MJ083911 8,17-Epoxy-2,3,9,13,14-pentahydroxy-5,11-briaradien-18,7-olide, 3-Butanoyl, 2,9,14-tri-Ac C30H40O12 592.251976 NA MeJP NA NA +MJ083912 8,17-Epoxy-2,4,9,11,12-pentahydroxy-5,13-briaradien-18,7-olide, 12-Butanoyl, 2,4,9-tri-Ac C30H40O12 592.251976 NA MeJP NA NA +MJ083913 8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-butanoyl, 4,9,14-tri-Ac C30H40O12 592.251976 NA MeJP NA NA +MJ083914 Acerogenin A, 12-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C30H40O12 592.251976 NA MeJP NA NA +PJ007387 GKEEM C23H40N6O10S 592.2527 NA PeJP NA NA +PJ007388 TFYY C31H36N4O8 592.2533 NA PeJP NA NA +MJ083915 Cepharanthine; N2'-De-Me C36H36N2O6 592.257336 NA MeJP NA NA +MJ083916 Cepharanthine; N2-De-Me C36H36N2O6 592.257336 NA MeJP NA NA +MJ083917 Cepharanthine; O12-De-Me C36H36N2O6 592.257336 NA MeJP NA NA +MJ083918 Coclobine; O12-De-Me C36H36N2O6 592.257336 NA MeJP NA NA +MJ083919 Cocsulinine; 6'-Me ether C36H36N2O6 592.257336 NA MeJP NA NA +MJ083920 Epistephanine, O12-De-Me C36H36N2O6 592.257336 NA MeJP NA NA +MJ083921 Isotrilobine, 2-N-Oxide C36H36N2O6 592.257336 NA MeJP NA NA +MJ083922 Limacusine, N2-De-Me, 1,2-didehydro C36H36N2O6 592.257336 NA MeJP NA NA +MJ083923 O-Methyldeoxopunjabine C36H36N2O6 592.257336 NA MeJP NA NA +MJ083924 Ocotosine, O6-De-Me C36H36N2O6 592.257336 NA MeJP NA NA +MJ083925 Pachygonamine; N2,O6-Di-Me C36H36N2O6 592.257336 NA MeJP NA NA +MJ083926 Pendine; Me ether C36H36N2O6 592.257336 NA MeJP NA NA +MJ083927 Sciadoline; 3,4-Dihydro C36H36N2O6 592.257336 NA MeJP NA NA +MJ083928 Stephasubine; 3',4'-Dihydro C36H36N2O6 592.257336 NA MeJP NA NA +MJ083929 Thalmethine C36H36N2O6 592.257336 NA MeJP NA NA +MJ083930 Thalmiculatimine C36H36N2O6 592.257336 NA MeJP NA NA +MJ083931 Thalsivasine C36H36N2O6 592.257336 NA MeJP NA NA +MJ083932 Tiliacorinine; 2'-N-Oxide C36H36N2O6 592.257336 NA MeJP NA NA +MJ083933 Tiliafunimine C36H36N2O6 592.257336 NA MeJP NA NA +MJ083934 Warifteine C36H36N2O6 592.257336 NA MeJP NA NA +MJ083935 Yanangine C36H36N2O6 592.257336 NA MeJP NA NA +PJ007389 GNQQF C25H36N8O9 592.2605 NA PeJP NA NA +PJ007390 GGGQQF C25H36N8O9 592.2606 NA PeJP NA NA +PJ007391 GTEMR C22H40N8O9S 592.2639 NA PeJP NA NA +PJ007392 TTWW C30H36N6O7 592.2646 NA PeJP NA NA +MJ083936 Moreollin; Carboxylic acid, O10-de-Et, O10-Me C34H40O9 592.267232 NA MeJP NA NA +MJ083937 Scortechinone B C34H40O9 592.267232 NA MeJP NA NA +PJ007393 KEMW C27H40N6O7S 592.2679 NA PeJP NA NA +PJ007394 GAAPMF C27H40N6O7S 592.268 NA PeJP NA NA +MetaCyc03934 pheophorbide a [pheide a;] C35H36N4O5 592.26857 NA metacyc NA NA +C18021 Pheophorbide a C35H36N4O5 592.2686 NA KEGG NA NA +PJ007395 STKEE C23H40N6O12 592.2704 NA PeJP NA NA +PJ007396 SPKMM C24H44N6O7S2 592.2713 NA PeJP NA NA +PJ007397 GDKHH C24H36N10O8 592.2718 NA PeJP NA NA +PJ007398 GPPHW C29H36N8O6 592.2758 NA PeJP NA NA +PJ007399 TMRW C26H40N8O6S 592.2792 NA PeJP NA NA +PJ007400 STTER C22H40N8O11 592.2817 NA PeJP NA NA +MJ083938 Blepharocalyxin D C38H40O6 592.282489 NA MeJP NA NA +PJ007401 ACLMR C23H44N8O6S2 592.2825 NA PeJP NA NA +PJ007402 GVMMR C23H44N8O6S2 592.2826 NA PeJP NA NA +PJ007403 GSHHR C23H36N12O7 592.283 NA PeJP NA NA +PJ007404 SSTLW C27H40N6O9 592.2857 NA PeJP NA NA +MJ083939 3,14,16-Trihydroxy-19-oxo-5?H-card-20(22)-enolide, 3-O-(3-O-Acetyl-?-L-rhamnopyranoside) C31H44O11 592.288362 NA MeJP NA NA +MJ083940 3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 16-Ac, 3-O-(2,6-Deoxy-?-L-xylohexopyranoside) C31H44O11 592.288362 NA MeJP NA NA +MJ083941 3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 16-Ac, 3-O-(2,6-Dideoxy-?-D-ribohexopyranoside) C31H44O11 592.288362 NA MeJP NA NA +MJ083942 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-(2S-Methylbutanoyl), tri-Ac C31H44O11 592.288362 NA MeJP NA NA +MJ083943 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 12-(2-Methylbutanoyl), 1,6,19-tri-Ac C31H44O11 592.288362 NA MeJP NA NA +MJ083944 Bovoneoside C31H44O11 592.288362 NA MeJP NA NA +MJ083945 Euphorrepinol; 7-Tigloyl, 3,5,15-tri-Ac C31H44O11 592.288362 NA MeJP NA NA +PJ007405 SVKEM C24H44N6O9S 592.2891 NA PeJP NA NA +MJ083946 2,3,4,6,7,22,23-Heptahydroxyergostan-15-one, 2-Sulfate C28H48O11S 592.291733 NA MeJP NA NA +PJ007406 MMRR C22H44N10O5S2 592.2938 NA PeJP NA NA +PJ007407 GPTRY C26H40N8O8 592.2969 NA PeJP NA NA +MJ083947 Hexobendine C30H44N2O10 592.299595 NA MeJP NA NA +PJ007408 SSLMR C23H44N8O8S 592.3003 NA PeJP NA NA +PJ007409 PKYW C31H40N6O6 592.3009 NA PeJP NA NA +PJ007410 LQFW C31H40N6O6 592.301 NA PeJP NA NA +MJ083948 4(20),11-Taxadiene-5,9,10,13-tetrol, 5-Cinnamoyl, 9,10,13-tri-Ac C35H44O8 592.303618 NA MeJP NA NA +MJ083949 Depsidellin B C35H44O8 592.303618 NA MeJP NA NA +MJ083950 Pregnane-3,8,12,14,17,20-hexol, 12,20-Dibenzoyl C35H44O8 592.303618 NA MeJP NA NA +PJ007411 APKMF C28H44N6O6S 592.3043 NA PeJP NA NA +PJ007412 SSSSLL C24H44N6O11 592.3068 NA PeJP NA NA +PJ007413 ALKMM C25H48N6O6S2 592.3077 NA PeJP NA NA +PJ007414 DFRR C25H40N10O7 592.3082 NA PeJP NA NA +7504 ACE inhibitor SKVYP 592.309 antioxidative Inhouse_peptide NA peptide +PJ007415 GSSSKK C23H44N8O10 592.3181 NA PeJP NA NA +2671 synthetic fr, of human beta-CN (123-127) ACE inhibitor NLHLP 592.3209 NA Inhouse_peptide NA peptide +PJ007416 SPVKY C28H44N6O8 592.3221 NA PeJP NA NA +C05148 Debromoaplysiatoxin C32H48O10 592.3247 NA KEGG NA NA +MJ083951 1,10-Epoxy-11-germacrene-2,3,4,5,8,9-hexol, 2-Deoxy, 3,9-diangeloyl, 8-(2-methylbutanoyl), 5-Ac C32H48O10 592.324747 NA MeJP NA NA +MJ083952 1,3,14-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-talopyranoside), 1-Ac C32H48O10 592.324747 NA MeJP NA NA +MJ083953 1,3,14-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-talopyranoside), 1-Ac C32H48O10 592.324747 NA MeJP NA NA +MJ083954 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(6-deoxy-3-O-methyl-?-D-galactopyranoside) C32H48O10 592.324747 NA MeJP NA NA +MJ083955 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(6-deoxy-3-O-methyl-?-D-glucopyranoside) C32H48O10 592.324747 NA MeJP NA NA +MJ083956 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(6-deoxy-3-O-methyl-L-mannopyranoside) C32H48O10 592.324747 NA MeJP NA NA +MJ083957 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(6-deoxy-3-O-methyl-?-D-galactopyranoside) C32H48O10 592.324747 NA MeJP NA NA +MJ083958 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(6-deoxy-3-O-methyl-?-L-altropyranoside) C32H48O10 592.324747 NA MeJP NA NA +MJ083959 Aplysiatoxin; Debromo C32H48O10 592.324747 NA MeJP NA NA +MJ083960 Foetidinol; 15?-Hydroxy, 3-O-?-D-xylopyranoside C32H48O10 592.324747 NA MeJP NA NA +PJ007417 TTLKM C25H48N6O8S 592.3254 NA PeJP NA NA +C05790 I-Urobilinogen C33H44N4O6 592.3261 NA KEGG NA NA +HMDB01898 Mesobilirubinogen C33H44N4O6 592.32611 http://www.hmdb.ca/metabolites/HMDB01898 HMDB NA NA +HMDB01898 Mesobilirubinogen C33H44N4O6 592.32611 HMDB01898 PFEM_hmdb_metabocards_official NA NA +HMDB01898 Mesobilirubinogen C33H44N4O6 592.326111 NA HMDB2010 NA NA +MJ083961 Stigmastane-3,5,6,15,16,25,26-heptol, 26-Sulfate C29H52O10S 592.328118 NA MeJP NA NA +MJ083962 Stigmastane-3,5,6,8,15,16,29-heptol, 29-Sulfate C29H52O10S 592.328118 NA MeJP NA NA +MJ083963 Stigmastane-3,5,6,8,15,28,29-heptol, 29-Sulfate C29H52O10S 592.328118 NA MeJP NA NA +MJ083964 3-4-(Hydroxy-7-methoxy-10-oxo-3,5,9-trioxa-11-aza-4-phosphanonacos-1-yl)thiazolium hydroxide inner salt P-oxide C28H53N2O7PS 592.331109 NA MeJP NA NA +PJ007418 AALRY C27H44N8O7 592.3333 NA PeJP NA NA +PJ007419 SCKKK C24H48N8O7S 592.3367 NA PeJP NA NA +PJ007420 LKFW C32H44N6O5 592.3373 NA PeJP NA NA +MJ083965 Antibiotic S 541; Antibiotic S 541A, 7-Deoxy, 2,5,6,7-tetradehydro C36H48O7 592.340003 NA MeJP NA NA +MJ083966 Vilasinin; 1,7-Ditigloyl C36H48O7 592.340003 NA MeJP NA NA +PJ007421 VRRY C26H44N10O6 592.3446 NA PeJP NA NA +MJ083967 7,7',8,8'-Tetradehydroastaxanthin C40H48O4 592.35526 NA MeJP NA NA +MJ083968 Crustaxanthin; Tetraketone C40H48O4 592.35526 NA MeJP NA NA +PJ007422 GLLKY C29H48N6O7 592.3585 NA PeJP NA NA +C04859 (20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol C33H52O9 592.3611 NA KEGG NA NA +C08885 Agavoside A C33H52O9 592.3611 NA KEGG NA NA +MJ083969 16,26-Dihydroxycholest-4-ene-3,22-dione, 26-O-?-D-Glucopyranoside C33H52O9 592.361133 NA MeJP NA NA +MJ083970 22,26-Dihydroxyfurost-4-en-3-one, 26-O-?-D-Glucopyranoside C33H52O9 592.361133 NA MeJP NA NA +MJ083971 3,26-Dihydroxycholest-5-ene-16,22-dione, 3-O-?-D-Glucopyranoside C33H52O9 592.361133 NA MeJP NA NA +MJ083972 3-Hydroxyspirostan-12-one, 3-O-?-D-Galactopyranoside C33H52O9 592.361133 NA MeJP NA NA +MJ083973 3-Hydroxyspirostan-12-one, 3-O-?-D-Glucopyranoside C33H52O9 592.361133 NA MeJP NA NA +MJ083974 7,13-Labdadiene-2,3,15-triol, 3-Angeloyl, 15-Ac, 2-O-?-L-rhamnopyranoside C33H52O9 592.361133 NA MeJP NA NA +MJ083975 Spirost-20-ene-1,3-diol, 3-O-?-D-Glucopyranoside C33H52O9 592.361133 NA MeJP NA NA +MJ083976 Spirost-25(27)-ene-1,3-diol, 3-O-?-D-Glucopyranoside C33H52O9 592.361133 NA MeJP NA NA +MJ083977 Spirost-5-ene-3,14-diol, 3-O-?-D-Glucopyranoside C33H52O9 592.361133 NA MeJP NA NA +MJ083978 Spirost-5-ene-3,17-diol, 3-O-?-D-Glucopyranoside C33H52O9 592.361133 NA MeJP NA NA +MJ083979 Stigmasta-7,22-diene-2,3,5,6,9,11,19-heptol, 11,19-Di-Ac C33H52O9 592.361133 NA MeJP NA NA +MJ083980 Tomentoside I; O-De-Et C33H52O9 592.361133 NA MeJP NA NA +MetaCyc03935 (20S,22S,25S)-22,25-epoxyfurost-5-ene-3-β,26-diol 3-o-β-D-glucoside [] C33H52O9 592.361133 NA metacyc NA NA +PJ007423 PVLKH C28H48N8O6 592.3697 NA PeJP NA NA +MJ083981 1,3-Dihydroxy-14-taraxeren-28-oic acid, 3-(4-Hydroxybenzoyl) C37H52O6 592.376389 NA MeJP NA NA +MJ083982 2,3-Dihydroxy-14-taraxeren-28-oic acid, 2-(4-Hydroxybenzoyl) C37H52O6 592.376389 NA MeJP NA NA +MJ083983 2,3-Dihydroxy-14-taraxeren-28-oic acid, 3-(4-Hydroxybenzoyl) C37H52O6 592.376389 NA MeJP NA NA +MJ083984 2,3-Dihydroxy-14-taraxeren-28-oic acid, 2-(4-Hydroxybenzoyl) C37H52O6 592.376389 NA MeJP NA NA +MJ083985 3,16,21-Trihydroxy-12-oxo-30-oleananal, 21-Benzoyl C37H52O6 592.376389 NA MeJP NA NA +C10170 (-)-Santiaguine C38H48N4O2 592.3777 NA KEGG NA NA +MJ083986 Melaxillarinine C38H48N4O2 592.377726 NA MeJP NA NA +MJ083987 Santiaguine C38H48N4O2 592.377726 NA MeJP NA NA +MJ083988 Exophilin A; 9-Hydroxy C30H56O11 592.382262 NA MeJP NA NA +MJ083989 Ergosta-5,24(28)-diene-3,9,11,16-tetrol, 3-O-?-L-Fucopyranoside C34H56O8 592.397518 NA MeJP NA NA +MJ083990 Glycerol 1-alkanoates; Glycerol 1-(22-hydroxydocosanoate), 22'-O-(3,4-Dihydroxycinnamoyl) C34H56O8 592.397518 NA MeJP NA NA +MJ083991 Hygrolidin; Defumaryl C34H56O8 592.397518 NA MeJP NA NA +MJ083992 Irumanolide II C34H56O8 592.397518 NA MeJP NA NA +MJ083993 Lanost-8-ene-3,17,24,25,26-pentol, 3-O-Succinoyl C34H56O8 592.397518 NA MeJP NA NA +MJ083994 Raspacionin A C34H56O8 592.397518 NA MeJP NA NA +MJ083995 Raspacionin; 15-Deacetyl, 10,28-dihydro, 10?-acetoxy, 4-ketone C34H56O8 592.397518 NA MeJP NA NA +MJ083996 Raspacionin; 21-Deacetyl, 10,28-dihydro, 10?-acetoxy, 4-ketone C34H56O8 592.397518 NA MeJP NA NA +MJ083997 Stigmasta-8(14),24(28)-diene-3,6,15,29-tetrol, 29-O-?-D-Xylopyranoside C34H56O8 592.397518 NA MeJP NA NA +MJ083998 3,14,21-Serratanetriol, 3-O-?-L-Arabinopyranoside C35H60O7 592.433904 NA MeJP NA NA +MJ083999 Aromin C35H60O7 592.433904 NA MeJP NA NA +MJ084000 Montanacin D C35H60O7 592.433904 NA MeJP NA NA +MJ084001 Stigmast-5-ene-3,29-diol, 3-O-?-D-Glucopyranoside C35H60O7 592.433904 NA MeJP NA NA +MJ084002 Stigmast-5-ene-3,7-diol, 3-O-?-D-Glucopyranoside C35H60O7 592.433904 NA MeJP NA NA +HMDB12299 Ubiquinol-6 C39H60O4 592.449158 NA HMDB2010 NA NA +MJ084003 Stigmastan-3-ol, O-(4-Hydroxy-3-methoxycinnamoyl) C39H60O4 592.44916 NA MeJP NA NA +MJ084004 Fritillebin C C40H64O3 592.485545 NA MeJP NA NA +HMDB05207 DG(16:0/18:2(9Z,12Z)/0:0)[iso2] C37H68O5 592.50665 http://www.hmdb.ca/metabolites/HMDB05207 HMDB NA NA +HMDB05222 DG(16:1(9Z)/18:1(9Z)/0:0)[iso2] C37H68O5 592.50665 http://www.hmdb.ca/metabolites/HMDB05222 HMDB NA NA +HMDB05207 DG(16:0/18:2(9Z,12Z)/0:0)[iso2] C37H68O5 592.50665 HMDB05207 PFEM_hmdb_metabocards_official NA NA +HMDB05222 DG(16:1(9Z)/18:1(9Z)/0:0)[iso2] C37H68O5 592.50665 HMDB05222 PFEM_hmdb_metabocards_official NA NA +HMDB07022 DG(14:0/20:2(11Z,14Z)/0:0) C37H68O5 592.506653 NA HMDB2010 NA NA +HMDB07050 DG(14:1(9Z)/20:1(11Z)/0:0) C37H68O5 592.506653 NA HMDB2010 NA NA +HMDB07103 DG(16:0/18:2(9Z,12Z)/0:0) C37H68O5 592.506653 NA HMDB2010 NA NA +HMDB07130 DG(16:1(9Z)/18:1(11Z)/0:0) C37H68O5 592.506653 NA HMDB2010 NA NA +HMDB07131 DG(16:1(9Z)/18:1(9Z)/0:0) C37H68O5 592.506653 NA HMDB2010 NA NA +HMDB07186 DG(18:1(11Z)/16:1(9Z)/0:0) C37H68O5 592.506653 NA HMDB2010 NA NA +HMDB07215 DG(18:1(9Z)/16:1(9Z)/0:0) C37H68O5 592.506653 NA HMDB2010 NA NA +HMDB07243 DG(18:2(9Z,12Z)/16:0/0:0) C37H68O5 592.506653 NA HMDB2010 NA NA +HMDB07386 DG(20:1(11Z)/14:1(9Z)/0:0) C37H68O5 592.506653 NA HMDB2010 NA NA +HMDB07414 DG(20:2(11Z,14Z)/14:0/0:0) C37H68O5 592.506653 NA HMDB2010 NA NA +MJ084005 Reticulatain 1 C37H68O5 592.506675 NA MeJP NA NA +MJ084006 Uvariamicin I C37H68O5 592.506675 NA MeJP NA NA +MJ084007 1,1',2,2',7,8-Hexahydro-?,?-carotene-1,1'-diol; 7',8',11',12'-Tetrahydro, 1''-Me ether C41H68O2 592.521931 NA MeJP NA NA +MJ084008 Tryptamine; Nb-(25-Triacontenoyl)(Z-) C40H68N2O 592.533164 NA MeJP NA NA +MJ084009 Dihydroxyglycopaene C40H80O2 592.615831 NA MeJP NA NA +MJ084010 Tricosanoic acid; Heptadecyl ester C40H80O2 592.615831 NA MeJP NA NA +7343 celiac sprue gluten epitope from gamma-gliadin QWPQQQQPF 592.7705 MH2+ Inhouse_peptide NA peptide +3484 ACE inhibitors derived from yeast GADPH GHKIATFQER 592.805 MH2+ Inhouse_peptide NA peptide +MJ084011 Oganomycin F C19H23N5O9S4 593.03786 NA MeJP NA NA +FL7AACGL0116 Cyanidin 3-(6''-dioxalylglucoside) C25H21O17 593.07787 398454-26-7 knapsack NA NA +PJ007424 CCCCY C21H31N5O7S4 593.1107 NA PeJP NA NA +PJ007425 CCCEH C20H31N7O8S3 593.1397 NA PeJP NA NA +PJ007426 DDDDD C20H27N5O16 593.1453 NA PeJP NA NA +MJ084012 Cefteram; (2,2-Dimethyl-1-oxopropoxy)methyl ester C22H27N9O7S2 593.147485 NA MeJP NA NA +FL1CQUCCN001 Tinctormine C27H31NO14 593.17445 149475-43-4 knapsack NA NA +PJ007427 CNNDE C20H31N7O12S 593.1752 NA PeJP NA NA +PJ007428 TCCMH C21H35N7O7S3 593.176 NA PeJP NA NA +PJ007429 SDDEE C21H31N5O15 593.1817 NA PeJP NA NA +PJ007430 PCDEM C22H35N5O10S2 593.1826 NA PeJP NA NA +PJ007431 GCNDW C24H31N7O9S 593.1904 NA PeJP NA NA +PJ007432 GSSNDD C20H31N7O14 593.1929 NA PeJP NA NA +PJ007433 GSPCCQ C21H35N7O9S2 593.1938 NA PeJP NA NA +PJ007434 GEEEM C22H35N5O12S 593.2003 NA PeJP NA NA +PJ007435 GCMHF C25H35N7O6S2 593.2091 NA PeJP NA NA +MJ084013 Geodiamolide A; Bromo analogue C28H40BrN3O6 593.210048 NA MeJP NA NA +PJ007436 SNNEM C21H35N7O11S 593.2115 NA PeJP NA NA +PJ007437 GGSNEM C21H35N7O11S 593.2116 NA PeJP NA NA +PJ007438 EEMW C26H35N5O9S 593.2156 NA PeJP NA NA +PJ007439 STEEE C22H35N5O14 593.2181 NA PeJP NA NA +PJ007440 SPEMM C23H39N5O9S2 593.2189 NA PeJP NA NA +PJ007441 GDEHH C23H31N9O10 593.2194 NA PeJP NA NA +PJ007442 SCNDR C20H35N9O10S 593.2228 NA PeJP NA NA +PJ007443 GSNMW C25H35N7O8S 593.2268 NA PeJP NA NA +PJ007444 GSSSQE C21H35N7O13 593.2293 NA PeJP NA NA +PJ007445 GQQMM C22H39N7O8S2 593.2302 NA PeJP NA NA +PJ007446 GPEEY C26H35N5O11 593.2333 NA PeJP NA NA +PJ007447 PPCMF C27H39N5O6S2 593.2342 NA PeJP NA NA +PJ007448 DHHW C27H31N9O7 593.2347 NA PeJP NA NA +PJ007449 SVEEM C23H39N5O11S 593.2367 NA PeJP NA NA +PJ007450 PCLMM C24H43N5O6S3 593.2376 NA PeJP NA NA +PJ007451 PTCHH C24H35N9O7S 593.238 NA PeJP NA NA +PJ007452 GCQMR C21H39N9O7S2 593.2414 NA PeJP NA NA +PJ007453 SSSQW C25H35N7O10 593.2446 NA PeJP NA NA +PJ007454 SNDKM C22H39N7O10S 593.2479 NA PeJP NA NA +PJ007455 PEYW C30H35N5O8 593.2486 NA PeJP NA NA +PJ007456 SPPMY C27H39N5O8S 593.252 NA PeJP NA NA +PJ007457 GCCRR C20H39N11O6S2 593.2527 NA PeJP NA NA +PJ007458 ALEMM C24H43N5O8S2 593.2553 NA PeJP NA NA +PJ007459 ATEHH C24H35N9O9 593.2558 NA PeJP NA NA +PJ007460 SSNMR C21H39N9O9S 593.2592 NA PeJP NA NA +PJ007461 NQFW C29H35N7O7 593.2598 NA PeJP NA NA +MJ084014 1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 9-benzoyl, 1-propanoyl, 8-Ac C33H39NO9 593.262481 NA MeJP NA NA +MJ084015 Himbosine; O20-Deacetyl C33H39NO9 593.262481 NA MeJP NA NA +PJ007462 GTCKW C26H39N7O7S 593.2632 NA PeJP NA NA +PJ007463 GSSSKE C22H39N7O12 593.2657 NA PeJP NA NA +PJ007464 GQKMM C23H43N7O7S2 593.2666 NA PeJP NA NA +MJ084016 Ergoladinine C31H39N5O5S 593.26719 NA MeJP NA NA +PJ007465 SPVEY C27H39N5O10 593.2697 NA PeJP NA NA +PJ007466 GPHHF C28H35N9O6 593.2711 NA PeJP NA NA +PJ007467 TTLEM C24H43N5O10S 593.2731 NA PeJP NA NA +PJ007468 GLMHH C25H39N9O6S 593.2744 NA PeJP NA NA +PJ007469 GSSSTR C21H39N9O11 593.2769 NA PeJP NA NA +PJ007470 GCKMR C22H43N9O6S2 593.2778 NA PeJP NA NA +PJ007471 SSSKW C26H39N7O9 593.2809 NA PeJP NA NA +PJ007472 GGGLQY C26H39N7O9 593.281 NA PeJP NA NA +PJ007473 STQKM C23H43N7O9S 593.2843 NA PeJP NA NA +PJ007474 LEFW C31H39N5O7 593.285 NA PeJP NA NA +PJ007475 APLMY C28H43N5O7S 593.2883 NA PeJP NA NA +PJ007476 SLLMM C25H47N5O7S2 593.2917 NA PeJP NA NA +PJ007477 QQRY C25H39N9O8 593.2922 NA PeJP NA NA +PJ007478 STCKR C22H43N9O8S 593.2956 NA PeJP NA NA +MJ084017 Chymostatin; Chymostatin B C30H39N7O6 593.296182 NA MeJP NA NA +PJ007479 NKFW C30H39N7O6 593.2962 NA PeJP NA NA +PJ007480 PPLMH C27H43N7O6S 593.2996 NA PeJP NA NA +C10007 Integerrine C35H39N5O4 593.3002 NA KEGG NA NA +MJ084018 Ergocristam C35H39N5O4 593.300204 NA MeJP NA NA +MJ084019 Integerrine C35H39N5O4 593.300204 NA MeJP NA NA +PJ007481 GSTTTK C23H43N7O11 593.3021 NA PeJP NA NA +PJ007482 GKKMM C24H47N7O6S2 593.3029 NA PeJP NA NA +PJ007483 CCLKK C24H47N7O6S2 593.303 NA PeJP NA NA +PJ007484 GPQHR C24H39N11O7 593.3034 NA PeJP NA NA +3119 fragment of bovine beta-casein (63-68 ) PGPIPN 593.3039 celiac toxic Inhouse_peptide NA peptide +PJ007485 GLLEY C28H43N5O9 593.3061 NA PeJP NA NA +PJ007486 GVQKY C27H43N7O8 593.3173 NA PeJP NA NA +PJ007487 GGGPPPL C27H43N7O8 593.3174 NA PeJP NA NA +MJ084020 Piercidinol A1; 10-O-?-D-Glucopyranoside C31H47NO10 593.319996 NA MeJP NA NA +MJ084021 Piercidinol A1; 3-Epimer, 10-O-?-D-glucopyranoside C31H47NO10 593.319996 NA MeJP NA NA +MJ084022 Piericidin; Piericidin A1, 13'-Hydroxy, 10'-O-?-D-glucopyranoside C31H47NO10 593.319996 NA MeJP NA NA +PJ007488 STKKM C24H47N7O8S 593.3207 NA PeJP NA NA +PJ007489 LLYW C32H43N5O6 593.3213 NA PeJP NA NA +PJ007490 APLFF C32H43N5O6 593.3214 NA PeJP NA NA +PJ007491 ALLMF C29H47N5O6S 593.3247 NA PeJP NA NA +PJ007492 QKRY C26H43N9O7 593.3286 NA PeJP NA NA +MJ084023 Rhizoxin; 2,3:11,12-Bisdeepoxy, 2,3,11,12-tetradehydro C35H47NO7 593.335252 NA MeJP NA NA +MJ084024 Talatizamine; O8-(E-Cinnamoyl), O14-Ac C35H47NO7 593.335252 NA MeJP NA NA +PJ007493 GPKHR C25H43N11O6 593.3398 NA PeJP NA NA +MJ084025 Destruxin E; Destruxin E C29H47N5O8 593.342463 NA MeJP NA NA +PJ007494 SVLLY C29H47N5O8 593.3425 NA PeJP NA NA +EUR785 Lyso PC 22:4 [M+Na]+ C30H54NO7P 593.345738 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR785 Lyso PC 22:4 [M+Na]+ C30H54NO7P 593.345738 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR785 Lyso PC 22:4 [M+Na]+ C30H54NO7P 593.345738 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR785 Lyso PC 22:4 [M+Na]+ C30H54NO7P 593.345738 masses lipides attendues Inhousejuil11 NA NA +PJ007495 GVKKY C28H47N7O7 593.3537 NA PeJP NA NA +MJ084026 Germine; O15-(R)-2-Methylbutanoyl C32H51NO9 593.356382 NA MeJP NA NA +MJ084027 Germine; O16-(2-Methylbutanoyl) C32H51NO9 593.356382 NA MeJP NA NA +MJ084028 Germine; O3-(R)-2-Methylbutanoyl C32H51NO9 593.356382 NA MeJP NA NA +MJ084029 Apicidin; N-Demethoxy C33H47N5O5 593.357719 NA MeJP NA NA +PJ007496 KKRY C27H47N9O6 593.365 NA PeJP NA NA +EUR594 LysoPC(20:2) [M+FA-H]- 593.368625 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR594 LysoPC(20:2) [M+FA-H]- 593.368625 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR594 LysoPC(20:2) [M+FA-H]- 593.368625 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR594 LysoPC(20:2) [M+FA-H]- 593.368625 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR594 LysoPC(20:2) [M+FA-H]- 593.368625 identifiés dans sérum NuGO HMDB NA NA +EUR594 LysoPC(20:2) [M+FA-H]- 593.368625 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR594 LysoPC(20:2) [M+FA-H]- 593.368625 identifies dans serum NuGO Inhousejuil11 NA NA +EUR594 LysoPC(20:2) [M+FA-H]- 593.368625 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR594 LysoPC(20:2) [M+FA-H]- 593.368625 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR757 Lyso PC 20:2 [M+FA-H]- C28H54NO7P 593.368672 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR757 Lyso PC 20:2 [M+FA-H]- C28H54NO7P 593.368672 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR757 Lyso PC 20:2 [M+FA-H]- C28H54NO7P 593.368672 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR757 Lyso PC 20:2 [M+FA-H]- C28H54NO7P 593.368672 masses lipides attendues Inhousejuil11 NA NA +EUR903 Lyso PE 22:2 [M-H+acetate]- C27H52NO7P 593.369242 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR903 Lyso PE 22:2 [M-H+acetate]- C27H52NO7P 593.369242 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR903 Lyso PE 22:2 [M-H+acetate]- C27H52NO7P 593.369242 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR903 Lyso PE 22:2 [M-H+acetate]- C27H52NO7P 593.369242 masses lipides attendues Inhousejuil11 NA NA +MJ084030 ?-[[[[2,6-Bis(1-methylethyl)phenyl]amino]carbonyl]amino]-?-methyl-N-[[1-(2-pyridinyl)cyclohexyl]methyl]-1H-indole-3-propanamide C37H47N5O2 593.372975 NA MeJP NA NA +MJ084031 Bursaphelocide A C30H51N5O7 593.378849 NA MeJP NA NA +MJ084032 Destruxin B; Destruxin B C30H51N5O7 593.378849 NA MeJP NA NA +PJ007497 VLLLH C29H51N7O6 593.3901 NA PeJP NA NA +MJ084033 3-Aminospirostan-6-ol, Glycoside C33H55NO8 593.392767 NA MeJP NA NA +MJ084034 Cevane-3,6,20-triol, 3-O-?-D-Glucopyranoside C33H55NO8 593.392767 NA MeJP NA NA +MJ084035 Discodermolide C33H55NO8 593.392767 NA MeJP NA NA +C16746 Discodermolide C33H55NO8 593.3928 NA KEGG NA NA +MJ084036 Myxovirescin A; Myxovirescin A1, 33-Demethoxy C34H59NO7 593.429153 NA MeJP NA NA +MJ084037 Myxovirescin A; Myxovirescin A1, 4-Epimer, 33-demethoxy C34H59NO7 593.429153 NA MeJP NA NA +MJ084038 Pamamycin; Pamamycin 593 C34H59NO7 593.429153 NA MeJP NA NA +EUR801 Lyso PC 24:0 [M-H-CH3]- C32H66NO7P 593.442042 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR801 Lyso PC 24:0 [M-H-CH3]- C32H66NO7P 593.442042 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR801 Lyso PC 24:0 [M-H-CH3]- C32H66NO7P 593.442042 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR801 Lyso PC 24:0 [M-H-CH3]- C32H66NO7P 593.442042 masses lipides attendues Inhousejuil11 NA NA +MJ084039 Human ocular retinal pigment C42H59NO 593.459665 NA MeJP NA NA +MJ084040 2-Amino-4-octadecene-1,3-diol, N-Eicosanoyl C38H75NO3 593.574695 NA MeJP NA NA +HMDB04951 Ceramide (d18:1/20:0) C38H75NO3 593.574707 NA HMDB2010 NA NA +HMDB04951 Ceramide (d18:1/20:0) C38H75NO3 593.57471 http://www.hmdb.ca/metabolites/HMDB04951 HMDB NA NA +HMDB04951 Ceramide (d18:1/20:0) C38H75NO3 593.57471 HMDB04951 PFEM_hmdb_metabocards_official NA NA +MJ084041 Prepolycitrin A C16H6Br4O5 593.694873 NA MeJP NA NA +7039 synthetic peptide from alpha-gliadin IPPYCTIAPFGI 593.822 MH2+ Inhouse_peptide NA peptide +MJ084042 Ceftiolene C20H18N8O8S3 594.040971 NA MeJP NA NA +MJ084043 dTDP-D-glucuronate C16H24N2O18P2 594.049935 NA MeJP NA NA +FL63ACNS0015 Epicatechin 3,5-di-O-gallate C29H22O14 594.10095 37484-74-5 knapsack NA NA +FL63ACNS0016 Catechin 3,7,-di-O-galate C29H22O14 594.10095 128397-04-6 knapsack NA NA +FL63ACNS0017 Catechin 5,7,-di-O-gallate C29H22O14 594.10095 - knapsack NA NA +FL63ACNS0018 Catechin 5,3'-di-O-gallate C29H22O14 594.10095 - knapsack NA NA +FL63ACNS0019 Catechin 5,4'-di-O-gallate C29H22O14 594.10095 - knapsack NA NA +FL63ACNS0020 Catechin 7,3'-di-O-gallate C29H22O14 594.10095 110784-26-4 knapsack NA NA +FL63ACNS0021 Catechin 7,4'-di-O-gallate C29H22O14 594.10095 110784-25-3 knapsack NA NA +MJ084044 3,3',4',5,7-Pentahydroxyflavan, 3,5-Bis(3,4,5-trihydroxybenzoyl) C29H22O14 594.100955 NA MeJP NA NA +MJ084045 3,3',4',5,7-Pentahydroxyflavan, 3',5-Bis-O-(3,4,5-trihydroxybenzoyl) C29H22O14 594.100955 NA MeJP NA NA +MJ084046 3,3',4',5,7-Pentahydroxyflavan, 3',7-Bis-O-(3,4,5-trihydroxybenzoyl) C29H22O14 594.100955 NA MeJP NA NA +MJ084047 3,3',4',5,7-Pentahydroxyflavan, 3,7-Bis-O-(3,4,5-trihydroxybenzoyl) C29H22O14 594.100955 NA MeJP NA NA +MJ084048 3,3',4',5,7-Pentahydroxyflavan, 4',5-Bis-O-(3,4,5-trihydroxybenzoyl) C29H22O14 594.100955 NA MeJP NA NA +MJ084049 3,3',4',5,7-Pentahydroxyflavan, 4',7-Bis-O-(3,4,5-trihydroxybenzoyl) C29H22O14 594.100955 NA MeJP NA NA +MJ084050 3,3',4',5,7-Pentahydroxyflavan, 5,7-Bis-O-(3,4,5-trihydroxybenzoyl) C29H22O14 594.100955 NA MeJP NA NA +MJ084051 1,3,4-Trihydroxyanthraquinone-2-carboxylic acid; O4-Primeveroside C26H26O16 594.122084 NA MeJP NA NA +C17140 Tribuloside C30H26O13 594.1373 NA KEGG NA NA +C17141 [Heparan sulfate]-glucosamine C30H26O13 594.1373 NA KEGG NA NA +C17142 [Heparan sulfate]-N-sulfoglucosamine C30H26O13 594.1373 NA KEGG NA NA +MJ084052 3',4',5,7-Tetrahydroxyflavone; 7-O-[4-Hydroxycinnamoyl-(?2)-?-D-glucopyranoside] C30H26O13 594.13734 NA MeJP NA NA +MJ084053 3',4',5,7-Tetrahydroxyflavone; 7-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] C30H26O13 594.13734 NA MeJP NA NA +MJ084054 3',4',6,7-Tetrahydroxyaurone; 6-O-[4-Hydroxycinnamoyl-(?4)-?-D-glucopyranoside] C30H26O13 594.13734 NA MeJP NA NA +MJ084055 3,3',4',5',7-Pentahydroxyflavan(4?2')-3,3',4,4',5',7-hexahydroxyflavan C30H26O13 594.13734 NA MeJP NA NA +MJ084056 3,3',4',5',7-Pentahydroxyflavan(4?6)-3,3',4',5,5',7-hexahydroxyflavan C30H26O13 594.13734 NA MeJP NA NA +MJ084057 3,3',4',5',7-Pentahydroxyflavan(4?6)-3,3',4,4',5',7-hexahydroxyflavan C30H26O13 594.13734 NA MeJP NA NA +MJ084058 3,3',4',5',7-Pentahydroxyflavan(4?8)-3,3',4',5,5',7-hexahydroxyflavan C30H26O13 594.13734 NA MeJP NA NA +MJ084059 3,3',4',5,5',7-Hexahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan C30H26O13 594.13734 NA MeJP NA NA +MJ084060 3,3',4',5,5',7-Hexahydroxyflavan(7?4')-3,3',4',5,5',7-hexahydroxyflavan C30H26O13 594.13734 NA MeJP NA NA +MJ084061 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'''-Deoxy C30H26O13 594.13734 NA MeJP NA NA +MJ084062 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3''-Deoxy C30H26O13 594.13734 NA MeJP NA NA +MJ084063 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'''-Deoxy C30H26O13 594.13734 NA MeJP NA NA +MJ084064 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3''-Deoxy C30H26O13 594.13734 NA MeJP NA NA +MJ084065 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'''-Deoxy C30H26O13 594.13734 NA MeJP NA NA +MJ084066 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3''-Deoxy C30H26O13 594.13734 NA MeJP NA NA +MJ084067 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4,4',5,7-hexahydroxyflavan C30H26O13 594.13734 NA MeJP NA NA +MJ084068 3,3',4',7,8-Pentahydroxyflavan(4?6)-3,3',4,4',7,8-hexahydroxyflavan C30H26O13 594.13734 NA MeJP NA NA +MJ084069 3,3',4',7,8-Pentahydroxyflavan(4?O?4)-3,3',4',7,8-pentahydroxyflavan C30H26O13 594.13734 NA MeJP NA NA +MJ084070 3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 5'',5'''-Dihydroxy C30H26O13 594.13734 NA MeJP NA NA +MJ084071 4',5,7,8-Tetrahydroxyflavone; 8-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C30H26O13 594.13734 NA MeJP NA NA +MJ084072 Astragalin; 2''-O-(E-4-Hydroxycinnamoyl) C30H26O13 594.13734 NA MeJP NA NA +MJ084073 Astragalin; 3''-O-(4-Hydroxycinnamoyl) C30H26O13 594.13734 NA MeJP NA NA +MJ084074 Astragalin; 4'-O-(4-Hydroxycinnamoyl) C30H26O13 594.13734 NA MeJP NA NA +MJ084075 Astragalin; 6''-O-(4-Hydroxycinnamoyl) C30H26O13 594.13734 NA MeJP NA NA +MJ084076 Astragalin; 7-O-(4-Hydroxycinnamoyl) C30H26O13 594.13734 NA MeJP NA NA +MJ084077 Cosmosiin; 3''-O-(3,4-Dihydroxycinnamoyl) C30H26O13 594.13734 NA MeJP NA NA +MJ084078 Cosmosiin; 4'-O-(3,4-Dihydroxycinnamoyl) C30H26O13 594.13734 NA MeJP NA NA +MJ084079 Cosmosiin; 6''-O-(3,4-Dihydroxy-E-cinnamoyl) C30H26O13 594.13734 NA MeJP NA NA +MJ084080 Isoorientin; 2''-O-(4-Hydroxycinnamoyl) C30H26O13 594.13734 NA MeJP NA NA +MJ084081 Populnin; 6''-O-(4-Hydroxycinnamoyl) C30H26O13 594.13734 NA MeJP NA NA +MJ084082 Trifolin; 6''-O-(4-Hydroxycinnamoyl) C30H26O13 594.13734 NA MeJP NA NA +MJ084083 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] C30H27O13(+) 594.13734 NA MeJP NA NA +MJ084084 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(3,4-Dihydroxycinnamoyl), 5-O-?-D-glucopyranoside C30H27O13(+) 594.13734 NA MeJP NA NA +MJ084085 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C30H27O13(+) 594.13734 NA MeJP NA NA +FL1A3CGS0003 Maritimetin 6-(6''-p-coumarylglucoside) C30H26O13 594.13734 134955-55-8 knapsack NA NA +FL3FAAGN0002 Apigenin 7-glucoside-4'-trans-caffeate C30H26O13 594.13734 20196-92-3 knapsack NA NA +FL3FAAGS0037 Apigenin 7-(6''-E-Caffeoylglucoside);7-[[6-O-[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C30H26O13 594.13734 52073-84-4 knapsack NA NA +FL3FACCS0035 Isoorientin 2''-O-(E)-p-coumarate C30H26O13 594.13734 73328-49-1 knapsack NA NA +FL3FACGS0052 Luteolin 7-(2''-p-coumaroylglucoside) C30H26O13 594.13734 95596-61-5 knapsack NA NA +FL3FACGS0062 Luteolin 7-(6''-p-coumarylglucoside) C30H26O13 594.13734 111188-76-2 knapsack NA NA +FL3FFAGS0015 8-Hydroxyapigenin 8-(6''-E-p-coumaroylglucoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C30H26O13 594.13734 219316-01-5 knapsack NA NA +FL5FAAGA0030 Kaempferol 3-(6''-p-coumarylgalactoside) C30H26O13 594.13734 72691-81-7<BR>68170-52-5 knapsack NA NA +FL5FAAGL0067 Kaempferol 3-(2''-p-coumarylglucoside) C30H26O13 594.13734 137018-32-7 knapsack NA NA +FL5FAAGL0068 Kaempferol 3-(3''-p-coumarylglucoside) C30H26O13 594.13734 74712-68-8 knapsack NA NA +FL5FAAGL0069 Tiliroside C30H26O13 594.13734 20316-62-5 knapsack NA NA +FL5FAAGS0060 Kaempferol 7-(6''-p-coumarylglucoside);Biondnoid A;Buddlenoid A C30H26O13 594.13734 142750-32-1 knapsack NA NA +FL5FAAGS0104 Kaempferol 3-(2''-(Z)-p-coumaroylglucoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[2-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C30H26O13 594.13734 189098-16-6 knapsack NA NA +FL5FAAGS0105 Kaempferol 3-(4''-p-coumaroylglucoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[4-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C30H26O13 594.13734 331448-63-6 knapsack NA NA +FL5FAAGS0107 Kaempferol 3-(5''-feruloylapioside);[3S-[3alpha,3(E),4alpha,5beta]]-3-(4-Hydroxy-3-methoxyphenyl)-, [5-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl]oxy]tetrahydro-3,4-dihydroxy-3-furanyl]methyl ester 2-propenoic acid C30H26O13 594.13734 185066-55-1 knapsack NA NA +MJ084086 Sultamicillin C25H30N4O9S2 594.145419 NA MeJP NA NA +MJ084087 8,8-Bi(4',5,7-trihydroxyflavone); 4',4''',7,7''-Tetra-Me ether C34H26O10 594.152597 NA MeJP NA NA +MJ084088 Amentoflavone; 4',4''',7,7''-Tetra-Me ether C34H26O10 594.152597 NA MeJP NA NA +MJ084089 Endococcin C34H26O10 594.152597 NA MeJP NA NA +MJ084090 Kuwanon Z C34H26O10 594.152597 NA MeJP NA NA +MJ084091 Trachypone C34H26O10 594.152597 NA MeJP NA NA +MJ084092 1,2,5-Trihydroxy-6-methylanthraquinone; 2-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084093 1,3,8-Trihydroxy-6-methylanthraquinone; 1-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084094 1,3,8-Trihydroxy-6-methylanthraquinone; 1-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084095 1,8-Dihydroxy-3-hydroxymethylanthraquinone; 1,8-Di-?-D-glucoside C27H30O15 594.15847 NA MeJP NA NA +MJ084096 2',3,5,7-Tetrahydroxyflavone; 3-O-Rutinoside C27H30O15 594.15847 NA MeJP NA NA +MJ084097 2',4',7-Trihydroxyisoflavone; 4',7-Di-O-?-D-glucopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084098 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-?-L-Rhamnopyranoside, 3'-O-?-D-xylopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084099 3',4',5,7-Tetrahydroxyflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084100 3',4',5,7-Tetrahydroxyflavone; 4-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084101 3',4',5,7-Tetrahydroxyflavone; 5-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084102 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-L-rhamnopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084103 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084104 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084105 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084106 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084107 3',4',5,7-Tetrahydroxyisoflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084108 3',4',5-Trihydroxy-7-methoxyflavone; 5-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084109 3',4',6-Trihydroxyaurone; 3',6-Di-O-?-D-glucopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084110 3',4',6-Trihydroxyaurone; 6-O-(Glucosylglucoside) C27H30O15 594.15847 NA MeJP NA NA +MJ084111 3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084112 3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084113 3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[Xylosyl-(1??)-glucoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084114 3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084115 3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084116 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-Arabinoside, 3'-O-?-L-rhamnopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084117 3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-[Rhamnosyl-(1??)-arabinoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084118 3,3',4',7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084119 3,4',5,6,7-Pentahydroxyflavone; 3,6-Di-O-?-L-rhamnopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084120 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-rhamnopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084121 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-L-Arabinopyranoside, 7-O-?-L-rhamnopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084122 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-L-rhamnopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084123 3,4',5,7-Tetrahydroxyflavone; 3-O-[Rhamnosyl-(1??)-galactoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084124 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084125 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084126 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084127 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084128 3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Glucopyranoside, 7-O-?-L-rhamnopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084129 3,4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Galactopyranosyl-(1?4)-?-L-rhamnopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084130 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084131 3,4',6,7-Tetrahydroxy-5-methoxyflavone; 3-O-(Arabinosylrhamnoside) C27H30O15 594.15847 NA MeJP NA NA +MJ084132 3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-L-Arabinopyranoside, 7-O-?-D-glucopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084133 3,6-Diglucopyranosyl-4',5,7-trihydroxyflavone C27H30O15 594.15847 NA MeJP NA NA +MJ084134 3,8-Diglucopyranosyl-4',5,7-trihydroxyflavone C27H30O15 594.15847 NA MeJP NA NA +MJ084135 4',5,6,7-Tetrahydroxyflavone; 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084136 4',5,6,7-Tetrahydroxyflavone; 6-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084137 4',5,6,7-Tetrahydroxyflavone; 7-Me ether, 6-O-[?-L-arabinopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084138 4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084139 4',5,6,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084140 4',5,6,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084141 4',5,6,7-Tetrahydroxyisoflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084142 4',5,7,8-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084143 4',5,7,8-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084144 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-(Glucosylarabinoside) C27H30O15 594.15847 NA MeJP NA NA +MJ084145 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084146 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084147 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-L-Arabinofuranosyl-(1?2)-?-D-galactopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084148 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084149 4',5,7-Trihydroxy-6-methoxyisoflavone; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084150 4',5,7-Trihydroxy-6-methoxyisoflavone; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084151 4',5,7-Trihydroxyflavone; 4',7-Di-O-?-D-allopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084152 4',5,7-Trihydroxyflavone; 4',7-Di-O-?-D-glucopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084153 4',5,7-Trihydroxyflavone; 7-O-[?-D-Galactopyranosyl-(1?4)-?-D-mannopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084154 4',5,7-Trihydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084155 4',5,7-Trihydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084156 4',5,7-Trihydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084157 4',5,7-Trihydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084158 4',5,7-Trihydroxyisoflavone; 4',7-Di-O-?-D-glucopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084159 4',5,7-Trihydroxyisoflavone; 7-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084160 4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 7-Me ether, 5-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084161 5,7,8-Trihydroxy-4'-methoxyflavone; 8-O-[Xylosyl-(1??)-glucoside] C27H30O15 594.15847 NA MeJP NA NA +MJ084162 6,8-Diarabinopyranosyl-3',4',5,5',7-pentahydroxyflavone; 3',4'-Di-Me ether C27H30O15 594.15847 NA MeJP NA NA +MJ084163 6,8-Diarabinopyranosyl-3',4',5,5',7-pentahydroxyflavone; 3',5'-Di-Me ether C27H30O15 594.15847 NA MeJP NA NA +MJ084164 6,8-Digalactopyranosyl-4',5,7-trihydroxyflavone C27H30O15 594.15847 NA MeJP NA NA +MJ084165 6,8-Diglucosyl-3',4',7-trihydroxyflavone C27H30O15 594.15847 NA MeJP NA NA +MJ084166 8-Galactopyranosyl-6-glucopyranosyl-4',5,7-trihydroxyflavone C27H30O15 594.15847 NA MeJP NA NA +MJ084167 8-Glucopyranosyl-3',4',7-trihydroxyisoflavone; 4'-O-?-D-Glucopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084168 8-Glucopyranosyl-4',5,7-trihydroxyisoflavone; 4'-O-D-Glucopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084169 8-Glucosyl-4',5,7-trihydroxy-3'-methoxyflavone; ?-D-Pyranose-form, 2''-O-?-D-Xylopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084170 9,10-Dihydro-4,5-dihydroxy-10-oxo-2-anthracenecarboxylic acid; O-Diglucoside C27H30O15 594.15847 NA MeJP NA NA +MJ084171 Afzelin; 2''-O-?-D-Glucopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084172 Afzelin; 4''-O-?-D-Glucopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084173 Aloin, 1''-Carboxylic acid, 8-O-?-D-glucopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084174 Astragalin; 3''-O-?-L-Rhamnopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084175 Astragalin; 4'-O-?-L-Rhamnopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084176 Astragalin; 7-O-?-L-Rhamnopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084177 Carlinoside; 3'-Me ether C27H30O15 594.15847 NA MeJP NA NA +MJ084178 Cosmosiin; 2''-O-?-D-Allopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084179 Cosmosiin; 4''-O-?-D-Glucopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084180 Cosmosiin; 4'-O-?-D-Glucopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084181 Cosmosiin; O''-?-Glucopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084182 Isocarlinoside; 3'-Me ether C27H30O15 594.15847 NA MeJP NA NA +MJ084183 Isoorientin; 2''-O-?-L-Rhamnopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084184 Isoorientin; 6''-O-?-L-Rhamnopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084185 Isovitexin; 2''-O-?-D-Galactopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084186 Isovitexin; 2''-O-?-D-Glucopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084187 Isovitexin; 4'-O-?-D-Glucopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084188 Isovitexin; 6''-O-?-D-Glucopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084189 Isovitexin; 7-O-?-D-Galactopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084190 Isovitexin; 7-O-?-D-Glucopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084191 Lucenin 1; 3'-Me ether C27H30O15 594.15847 NA MeJP NA NA +MJ084192 Lucenin 3; 3'-Me ether C27H30O15 594.15847 NA MeJP NA NA +MJ084193 Nodosin C27H30O15 594.15847 NA MeJP NA NA +MJ084194 Orientin; 2''-O-?-L-Rhamnopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084195 Orientin; 7-Me ether, 2''-O-?-arabinopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084196 Orientin; 7-O-?-L-Rhamnopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084197 Paniculatin C27H30O15 594.15847 NA MeJP NA NA +MJ084198 Populnin; 2''-O-Rhamnopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084199 Populnin; 3-O-?-L-Rhamnopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084200 Quercitrin; 2''-O-?-L-Rhamnopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084201 Quercitrin; 4'-O-?-L-Rhamnopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084202 Quercitrin; 7-O-?-L-Rhamnopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084203 Safflor Yellow A C27H30O15 594.15847 NA MeJP NA NA +MJ084204 Trifolin; 2''-O-?-L-Rhamnopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084205 Vicenin 2 C27H30O15 594.15847 NA MeJP NA NA +MJ084206 Vitexin; 2''-O-?-D-Glucopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084207 Vitexin; 4''-O-?-D-Glucopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084208 Vitexin; 4'-O-?-D-Galactopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084209 Vitexin; 4'-O-?-D-Glucopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084210 Vitexin; 7-O-?-D-Glucopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084211 ?-Rhamnoisorobin; 2''-O-?-D-Glucopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084212 ?-Rhamnoisorobin; 3''-O-?-D-Glucopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084213 ?-Rhamnoisorobin; 3-O-?-D-Galactofuranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084214 ?-Rhamnoisorobin; 3-O-?-D-Galactopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084215 ?-Rhamnoisorobin; 4''-O-?-D-Galactopyranosyl C27H30O15 594.15847 NA MeJP NA NA +MJ084216 ?-Rhamnoisorobin; 4'-O-?-D-Glucopyranoside C27H30O15 594.15847 NA MeJP NA NA +MJ084217 3',4',5,7-Tetrahydroxyflavylium(1+); 5,7-Di-O-?-D-glucopyranoside C27H31O15(+) 594.15847 NA MeJP NA NA +MJ084218 3',4',5,7-Tetrahydroxyflavylium(1+); 5-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C27H31O15(+) 594.15847 NA MeJP NA NA +MJ084219 3',4',5,7-Tetrahydroxyflavylium(1+); 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H31O15(+) 594.15847 NA MeJP NA NA +MJ084220 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?4)-D-galactopyranoside] C27H31O15(+) 594.15847 NA MeJP NA NA +MJ084221 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C27H31O15(+) 594.15847 NA MeJP NA NA +MJ084222 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-L-Rhamnoside, 5-O-?-D-glucopyranoside C27H31O15(+) 594.15847 NA MeJP NA NA +MJ084223 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-Arabinoside, 5-O-?-D-glucopyranoside C27H31O15(+) 594.15847 NA MeJP NA NA +MJ084224 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside] C27H31O15(+) 594.15847 NA MeJP NA NA +MJ084225 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C27H31O15(+) 594.15847 NA MeJP NA NA +MJ084226 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-L-Arabinopyranosyl-(1?4)-?-D-glucopyranoside] C27H31O15(+) 594.15847 NA MeJP NA NA +MJ084227 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[Xylosyl-(1??)-galactoside] C27H31O15(+) 594.15847 NA MeJP NA NA +MJ084228 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[Xylosyl-(1??)-glucoside] C27H31O15(+) 594.15847 NA MeJP NA NA +MJ084229 3,4',5,7-Tetrahydroxyflavylium(1+); 3,5-Di-O-?-D-Glucopyranoside C27H31O15(+) 594.15847 NA MeJP NA NA +MJ084230 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C27H31O15(+) 594.15847 NA MeJP NA NA +MJ084231 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H31O15(+) 594.15847 NA MeJP NA NA +MJ084232 Keracyanin C27H31O15(+) 594.15847 NA MeJP NA NA +MetaCyc03936 vitexin 2-O-β-D-glucoside''$$$''$$$'' [] C27H30O15 594.15847 NA metacyc NA NA +MetaCyc03937 isovitexin 2-O-β-D-glucoside''$$$''$$$'' [] C27H30O15 594.15847 NA metacyc NA NA +MetaCyc03938 kaempferol-3-glucoside-7-rhamnoside [kaempferol-3-O-glucopyranoside-7-O-rhamnopyranoside;] C27H30O15 594.15847 NA metacyc NA NA +MetaCyc03939 luteolin 7-O-neohesperidoside [] C27H30O15 594.15847 NA metacyc NA NA +FL1A1CGS0002 Palasitrin C27H30O15 594.15847 494-49-5 knapsack NA NA +FL1AAAGS0003 4,6,4'-Trihydroxyaurone 4,6-di-O-glucoside C27H30O15 594.15847 - knapsack NA NA +FL1CQUCS0001 Safflor yellow A C27H30O15 594.15847 85532-77-0 knapsack NA NA +FL3FAACS0022 Isovitexin 2''-O-galactoside C27H30O15 594.15847 101977-24-6 knapsack NA NA +FL3FAACS0024 Meloside A;Isovitexin 2''-O-glucoside C27H30O15 594.15847 60767-80-8 knapsack NA NA +FL3FAACS0025 Vicenin 2 C27H30O15 594.15847 23666-13-9 knapsack NA NA +FL3FAACS0027 3,6-Di-C-glucosylapigenin C27H30O15 594.15847 90456-55-6 knapsack NA NA +FL3FAACS0028 3,8-Di-C-glucopyranosylapigenin C27H30O15 594.15847 97218-31-0 knapsack NA NA +FL3FAACS0029 6,8-Di-C-galactopyranosylapigenin C27H30O15 594.15847 82043-11-6 knapsack NA NA +FL3FAACS0030 6-C-Glucopyranosyl-8-C-galactopyranosylapigenin C27H30O15 594.15847 90898-93-4 knapsack NA NA +FL3FAACS0055 Flavosativaside;Vitexin 2''-O-glucoside C27H30O15 594.15847 61360-94-9 knapsack NA NA +FL3FAACS0065 2''-O-beta-L-galactopyranosylvitexin C27H30O15 594.15847 861691-35-2 knapsack NA NA +FL3FAACS0072 Isovitexin 6''-O-glucoside C27H30O15 594.15847 191615-66-4 knapsack NA NA +FL3FAACS0074 Vitexin 6''-O-glucoside;8-(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C27H30O15 594.15847 639850-16-1 knapsack NA NA +FL3FAACS0077 6-C-Galactosylapigenin 6''-O-galactoside;6-(6-O-beta-D-Galactopyranosyl-beta-D-galactopyranosyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C27H30O15 594.15847 615558-90-2 knapsack NA NA +FL3FAADS0002 Vitexin 4'-O-galactoside C27H30O15 594.15847 85986-96-5 knapsack NA NA +FL3FAADS0003 Vitexin 7-O-glucoside C27H30O15 594.15847 35109-95-6 knapsack NA NA +FL3FAADS0004 Vitexin 4'-O-glucoside C27H30O15 594.15847 38950-94-6 knapsack NA NA +FL3FAADS0005 Neosaponarin C27H30O15 594.15847 72059-32-6 knapsack NA NA +FL3FAADS0007 Saponarin C27H30O15 594.15847 20310-89-8 knapsack NA NA +FL3FAADS0027 Isosaponarin C27H30O15 594.15847 19416-87-6 knapsack NA NA +FL3FAAGS0022 Apigenin 7-allosyl-(1->2)-glucoside C27H30O15 594.15847 113471-88-8 knapsack NA NA +FL3FAAGS0023 Apigenin 7-sophoroside C27H30O15 594.15847 52073-83-3 knapsack NA NA +FL3FAAGS0026 Apigenin 7,4'-dialloside C27H30O15 594.15847 95693-63-3 knapsack NA NA +FL3FAAGS0029 Apigenin 7,4'-diglucoside;7-(beta-D-glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-4H-1-benzopyran-4-one C27H30O15 594.15847 31737-50-5 knapsack NA NA +FL3FAAGS0058 Apigenin 7-cellobioside;5,7,4'-Trihydroxyflavone 7-cellobioside;7-[(4-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C27H30O15 594.15847 211096-97-8 knapsack NA NA +FL3FACCS0026 Orientin 2''-O-rhamnoside C27H30O15 594.15847 81398-30-3 knapsack NA NA +FL3FACCS0027 Isoorientin 2''-O-rhamnoside C27H30O15 594.15847 50980-94-4 knapsack NA NA +FL3FACCS0028 Isoorientin 6''-O-rhamnoside C27H30O15 594.15847 108602-35-3 knapsack NA NA +FL3FACCS0033 Elatin(flavonoid) C27H30O15 594.15847 145364-53-0 knapsack NA NA +FL3FACDS0004 Orientin 7-O-rhamnoside C27H30O15 594.15847 29432-29-9 knapsack NA NA +FL3FACDS0025 Isoorientin 7-O-rhamnoside;6-beta-D-glucopyranosyl-3',4',5,7-tetrahydroxyflavone 7-(6-deoxy-a-L-mannopyranoside) C27H30O15 594.15847 29432-30-2 knapsack NA NA +FL3FACGS0023 Luteolin 7-rutinoside C27H30O15 594.15847 20633-84-5 knapsack NA NA +FL3FACGS0024 Luteolin 7-neohesperidoside C27H30O15 594.15847 25694-72-8 knapsack NA NA +FL3FACGS0039 Luteolin 4'-neohesperidoside C27H30O15 594.15847 70404-48-7 knapsack NA NA +FL3FACGS0065 Luteolin 4'-rutinoside;2-[4-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one C27H30O15 594.15847 150460-69-8 knapsack NA NA +FL3FACGS0072 Luteolin 5-O-rutinoside;5,7,3',4'-Tetrahydroxyflavone 5-O-rutinoside;5-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one C27H30O15 594.15847 140380-87-6 knapsack NA NA +FL3FACGS0076 Luteolin 7-rhamnosyl(1->6)galactoside;Luteolin 7-robinobioside;7-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one C27H30O15 594.15847 160698-21-5 knapsack NA NA +FL3FADCS0005 Scoparin 2''-O-xyloside C27H30O15 594.15847 124934-30-1 knapsack NA NA +FL3FADCS0006 Chrysoeriol 6-C-glucoside-8-C-arabinopyranoside C27H30O15 594.15847 87261-15-2 knapsack NA NA +FL3FADCS0007 Chrysoeriol 6-C-arabinopyranoside-8-C-glucoside C27H30O15 594.15847 87245-43-0 knapsack NA NA +FL3FADCS0008 6-C-Xylopyranosyl-8-C-glucopyranosylchrysoeriol C27H30O15 594.15847 140366-47-8 knapsack NA NA +FL3FADCS0009 6-C-Glucopyranosyl-8-C-xylopyranosylchrysoeriol C27H30O15 594.15847 140366-46-7 knapsack NA NA +FL3FADCS0022 5,7,4'-Trihydroxy-3'-methoxyflavone-8-C-beta-D-xylopyranoside-2''-O-glucoside;8-C-xylopyranosylchrysoeriol 2''-O-glucoside C27H30O15 594.15847 381734-31-2 knapsack NA NA +FL3FADGS0007 Luteolin 3'-methyl ether 7-arabinosyl-(1->2)-galactoside C27H30O15 594.15847 28543-46-6 knapsack NA NA +FL3FADGS0008 Luteolin 3'-methyl ether 7-apiosyl-(1->2)-glucoside C27H30O15 594.15847 33579-63-4 knapsack NA NA +FL3FADGS0021 Chrysoeriol 7-alpha-L-arabinofuranosyl-(1->6)-glucoside;7-[(6-O-alpha-L-Arabinofuranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C27H30O15 594.15847 189282-68-6 knapsack NA NA +FL3FADGS0022 Chrysoeriol 7-apiosyl-(1->6)-glucoside;7-[(6-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C27H30O15 594.15847 211561-68-1 knapsack NA NA +FL3FAEGS0003 Luteolin 4'-methyl ether 7-alpha-L-arabinofuranosyl-(1->6)-beta-D-glucoside C27H30O15 594.15847 7077-96-5 knapsack NA NA +FL3FAEGS0004 Luteolin 4'-methyl ether 7-beta-L-arabinofuranosyl-(1->6)-beta-D-glucoside C27H30O15 594.15847 7139-65-3 knapsack NA NA +FL3FAEGS0005 Luteolin 4'-methyl ether 7-xylosyl-(1->6)-glucoside C27H30O15 594.15847 108153-68-0 knapsack NA NA +FL3FAGGS0007 Tricetin 3'-rhamnosyl-(1->4)-rhamnoside;2-[3-[[6-Deoxy-4-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy]-4,5-dihydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one C27H30O15 594.15847 261912-75-8 knapsack NA NA +FL3FAICS0002 6,8-Di-C-arabinopyranosyltricin C27H30O15 594.15847 79504-24-8 knapsack NA NA +FL3FAKCS0001 6,8-Di-C-arabinopyranosylapometzgerin C27H30O15 594.15847 79504-27-1 knapsack NA NA +FL3FBCGS0002 Luteolin 5-methyl ether 7-xylosyl-(1->6)-glucoside C27H30O15 594.15847 - knapsack NA NA +FL3FEAGS0008 Scutellarein 7-glucosyl-(1->4)-rhamnoside C27H30O15 594.15847 104602-65-5 knapsack NA NA +FL3FEAGS0009 Scutellarein 7-rutinoside C27H30O15 594.15847 36285-12-8 knapsack NA NA +FL3FEAGS0010 Scutellarein 7-neohesperidoside C27H30O15 594.15847 85852-24-0 knapsack NA NA +FL3FEAGS0011 Scutellarein 6-rhamnosyl-(1->2)-galactoside C27H30O15 594.15847 137182-32-2 knapsack NA NA +FL3FECGS0049 Nepetin 7-rhamnoside-3'-xyloside C27H30O15 594.15847 - knapsack NA NA +FL3FFAGS0003 Isoscutellarein 7-neohesperidoside C27H30O15 594.15847 110011-53-5 knapsack NA NA +FL5F1CGS0003 Fisetin 7-rutinoside C27H30O15 594.15847 27576-44-9 knapsack NA NA +FL5FA8GL0002 Datiscin C27H30O15 594.15847 16310-92-2 knapsack NA NA +FL5FAAGA0007 Kaempferol 3-rhamnosyl-(1->2)-galactoside C27H30O15 594.15847 108906-96-3 knapsack NA NA +FL5FAAGA0008 Kaempferol 3-robinobioside C27H30O15 594.15847 17297-56-2 knapsack NA NA +FL5FAAGA0011 Kaempferol 3-galactoside-7-rhamnoside C27H30O15 594.15847 38784-79-1 knapsack NA NA +FL5FAAGL0009 Kaempferol 3-neohesperidoside C27H30O15 594.15847 32602-81-6 knapsack NA NA +FL5FAAGL0010 Kaempferol 3-rungioside C27H30O15 594.15847 28447-29-2 knapsack NA NA +FL5FAAGL0011 Nicotiflorin C27H30O15 594.15847 17650-84-9 knapsack NA NA +FL5FAAGL0016 Kaempferol 3-alpha-D-glucoside-7-rhamnoside C27H30O15 594.15847 115404-54-1 knapsack NA NA +FL5FAAGL0017 Kaempferol 3-glucoside-7-rhamnoside C27H30O15 594.15847 2392-95-2 knapsack NA NA +FL5FAAGS0021 Kaempferol 3-glucosyl-(1->2)-rhamnoside;3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C27H30O15 594.15847 142451-65-8 knapsack NA NA +FL5FAAGS0022 Multiflorin B C27H30O15 594.15847 52657-01-9 knapsack NA NA +FL5FAAGS0028 Kaempferol 3-rhamnoside-7-glucoside C27H30O15 594.15847 64323-49-5 knapsack NA NA +FL5FAAGS0035 Kaempferol 7-neohesperidoside;7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C27H30O15 594.15847 17353-03-6 knapsack NA NA +FL5FAAGS0036 Kaempferol 7-galactosyl-(1->4)-rhamnoside C27H30O15 594.15847 140845-19-8 knapsack NA NA +FL5FAAGS0037 Crenuloside;Kaempferol 7-(3-glucosylrhamnoside);Kaempferol 7-glucosyl-(1->4)-xyloside;7-[(6-Deoxy-3-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C27H30O15 594.15847 159768-66-8 knapsack NA NA +FL5FAAGS0075 Kaempferol 7-rhamnoside-4'-glucoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-3,5-dihydroxy-4H-1-benzopyran-4-one C27H30O15 594.15847 205876-37-5 knapsack NA NA +FL5FACGS0035 Quercetin 3,7-dirhamnoside C27H30O15 594.15847 28638-13-3 knapsack NA NA +FL5FACGS0067 Horridin (flavone);Quercetin 3-rhamnosyl-(1->2)-rhamnoside;3-[[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C27H30O15 594.15847 219806-32-3 knapsack NA NA +FL5FADGS0011 Isorhamnetin 3-alpha-L-arabinopyranosyl-(1->2)-rhamnoside C27H30O15 594.15847 29556-94-3 knapsack NA NA +FL5FADGS0013 Isorhamnetin 3-alpha-L-arabinopyranoside-7-rhamnoside C27H30O15 594.15847 69760-70-9 knapsack NA NA +FL5FCAGA0002 Rhamnocitrin 3-lathyroside C27H30O15 594.15847 117047-49-1 knapsack NA NA +FL5FCAGL0002 Rhamnocitrin 3-apiosyl-(1->2)-glucoside C27H30O15 594.15847 148031-68-9 knapsack NA NA +FL5FDCGS0009 Quercetin 3-methyl ether 7-rhamnoside-3'-xyloside C27H30O15 594.15847 93373-13-8 knapsack NA NA +FLIA1LGS0002 2'-Hydroxydaidzein 7,4'-di-O-glucoside C27H30O15 594.15847 88048-22-0 knapsack NA NA +FLIAAACS0001 Paniculatin C27H30O15 594.15847 32361-88-9 knapsack NA NA +FLIAAADS0001 8-C-Glucopyranosylgenistein 4'-O-glucoside C27H30O15 594.15847 147879-67-2 knapsack NA NA +FLIAAAGS0004 Genistein 7,4'-di-O-glucoside C27H30O15 594.15847 36190-98-4 knapsack NA NA +FLNACCGS0004 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-xylosyl-(1->6)-glucoside C27H30O15 594.15847 116310-59-9 knapsack NA NA +C03870 Isoorientin 2''-O-rhamnoside C27H30O15 594.1585 NA KEGG NA NA +C04024 Vitexin 2''-O-beta-D-glucoside C27H30O15 594.1585 NA KEGG NA NA +C04025 alpha,omega-Dicarboxylic acid C2H2O4 594.1585 NA KEGG NA NA +C04026 alpha-N-Substituted L-arginine C6H13N4O2R 594.1585 NA KEGG NA NA +C04199 Isovitexin 2''-O-beta-D-glucoside C27H30O15 594.1585 NA KEGG NA NA +C08064 Saponarin C27H30O15 594.1585 NA KEGG NA NA +C10195 Vicenin-2 C27H30O15 594.1585 NA KEGG NA NA +C10513 Paniculatin C27H30O15 594.1585 NA KEGG NA NA +C12630 Scolymoside C27H30O15 594.1585 NA KEGG NA NA +C17600 Multiflorin B C27H30O15 594.1585 NA KEGG NA NA +PJ007498 CNDDE C20H30N6O13S 594.1592 NA PeJP NA NA +MJ084233 Rilozarone C32H36BrClN2O2 594.164868 NA MeJP NA NA +MJ084234 Haedoxan A; 4'',6''-Bis(demethoxy) C31H30O12 594.173726 NA MeJP NA NA +PJ007499 GCDDW C24H30N6O10S 594.1744 NA PeJP NA NA +PJ007500 GSSDDD C20H30N6O15 594.1769 NA PeJP NA NA +PJ007501 GSPCCE C21H34N6O10S2 594.1778 NA PeJP NA NA +PJ007502 CNNNM C20H34N8O9S2 594.189 NA PeJP NA NA +PJ007503 GGGGGGCM C20H34N8O9S2 594.1891 NA PeJP NA NA +PJ007504 SPCCW C25H34N6O7S2 594.1931 NA PeJP NA NA +FL1CDAGS0002 4,2'-Dihydroxy-4',6'-dimethoxychalcone 4-apiosyl-(1->2)-glucoside C28H34O14 594.19485 112526-49-5 knapsack NA NA +FL2FAAGM0004 Miconioside B;Farrerol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside;5,7,4-Trihydroxy-6,8-di-C-methylflavanone 7-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside C28H34O14 594.19485 495396-20-8 knapsack NA NA +FL2FAAGS0027 Fumotonaringin;Naringenin 7-rhamnosyl-(1->2)-(4-O-methylglucoside);5,7,4'-Trihydroxyflavanone 7-rhamnosyl-(1->2)-(4-O-methylglucoside) C28H34O14 594.19485 147659-04-9 knapsack NA NA +FL2FABGS0001 Poncirin C28H34O14 594.19485 14941-08-3 knapsack NA NA +FL2FABGS0005 Didymin C28H34O14 594.19485 14259-47-3 knapsack NA NA +FL2FABGS0006 Acinoside C28H34O14 594.19485 - knapsack NA NA +MJ084235 1,3,8,9-Tetrahydroxy-6-methylanthracene; 3-Me ether, O-diglucoside C28H34O14 594.194855 NA MeJP NA NA +MJ084236 3',5,7-Trihydroxyflavanone, 3'-Me ether, 7-O-rutinoside C28H34O14 594.194855 NA MeJP NA NA +MJ084237 5,7-Dihydroxy-4'-methoxyflavanone, 7-O-Neohesperidoside C28H34O14 594.194855 NA MeJP NA NA +MJ084238 5,7-Dihydroxy-4'-methoxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C28H34O14 594.194855 NA MeJP NA NA +MJ084239 5,7-Dihydroxy-4'-methoxyflavanone, 7-Rutinoside C28H34O14 594.194855 NA MeJP NA NA +MJ084240 Shanzhiside; 6-(4-Hydroxycinnamoyl)(E-), 8-Ac, Me ester C28H34O14 594.194855 NA MeJP NA NA +MJ084241 Shanzhiside; 6-(4-Hydroxycinnamoyl)(Z-), 8-Ac, Me ester C28H34O14 594.194855 NA MeJP NA NA +C09830 Poncirin C28H34O14 594.1949 NA KEGG NA NA +PJ007505 SNDEM C21H34N6O12S 594.1956 NA PeJP NA NA +PJ007506 PCNMM C22H38N6O7S3 594.1964 NA PeJP NA NA +MJ084242 Cannabisin A C34H30N2O8 594.200215 NA MeJP NA NA +PJ007507 SCDDR C20H34N8O11S 594.2068 NA PeJP NA NA +PJ007508 GSDMW C25H34N6O9S 594.2108 NA PeJP NA NA +PJ007509 GSSSEE C21H34N6O14 594.2133 NA PeJP NA NA +PJ007510 GQEMM C22H38N6O9S2 594.2142 NA PeJP NA NA +PJ007511 CFYY C30H34N4O7S 594.2148 NA PeJP NA NA +MJ084243 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-?-D-Glucopyranoside, 3'-O-[?-L-arabinopyranosyl-(1?2)-?-L-rhamnopyranosyl] C25H38O16 594.215985 NA MeJP NA NA +MJ084244 Benzyl alcohol; O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C25H38O16 594.215985 NA MeJP NA NA +C17565 Zizybeoside II C25H38O16 594.216 NA KEGG NA NA +MJ084245 Renieramycin A; 1-Oxo, Me ether C31H34N2O10 594.221345 NA MeJP NA NA +PJ007512 SSSSNN C20H34N8O13 594.2245 NA PeJP NA NA +PJ007513 GGSSSSN C20H34N8O13 594.2246 NA PeJP NA NA +PJ007514 GCEMR C21H38N8O8S2 594.2254 NA PeJP NA NA +PJ007515 TCWW C29H34N6O6S 594.2261 NA PeJP NA NA +PJ007516 SSSEW C25H34N6O11 594.2286 NA PeJP NA NA +PJ007517 QMMW C26H38N6O6S2 594.2294 NA PeJP NA NA +MJ084246 Syringaresinol, 4-Me ether, 4'-O-?-D-glucopyranoside C29H38O13 594.231241 NA MeJP NA NA +PJ007518 STQEM C22H38N6O11S 594.2319 NA PeJP NA NA +PJ007519 GGTTEM C22H38N6O11S 594.232 NA PeJP NA NA +PJ007520 SYYY C30H34N4O9 594.2326 NA PeJP NA NA +PJ007521 GNMHH C23H34N10O7S 594.2333 NA PeJP NA NA +MJ084247 Gilletine; Stereoisomer, N2-oxide C35H34N2O7 594.236601 NA MeJP NA NA +MJ084248 Allosamidin; N,N-Di-de-Me C23H38N4O14 594.238451 NA MeJP NA NA +PJ007522 GNNQY C24H34N8O10 594.2398 NA PeJP NA NA +PJ007523 CMRW C25H38N8O5S2 594.2407 NA PeJP NA NA +PJ007524 SSDMR C21H38N8O10S 594.2432 NA PeJP NA NA +PJ007525 NEFW C29H34N6O8 594.2438 NA PeJP NA NA +MJ084249 1,2,3,4,9-Pentahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,3-di-Ac C33H38O10 594.246497 NA MeJP NA NA +MJ084250 1,2,3,6,9-Pentahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,6-di-Ac C33H38O10 594.246497 NA MeJP NA NA +MJ084251 1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,6-di-Ac C33H38O10 594.246497 NA MeJP NA NA +MJ084252 4,18-Epoxy-6,7,8,19-tetrahydroxy-11,13-clerodadien-15,16-olide, 6-Cinnamoyl, 7,19-di-Ac C33H38O10 594.246497 NA MeJP NA NA +MJ084253 6,11,12-Trihydroxy-3,7-dioxo-1,5,14-meliacatrien-29-oic acid; 12?-form, 12-(Methylpropanoyl), 11-Ac, Me ester C33H38O10 594.246497 NA MeJP NA NA +PJ007526 GTTMW C26H38N6O8S 594.2472 NA PeJP NA NA +PJ007527 GSTTTE C22H38N6O13 594.2497 NA PeJP NA NA +PJ007528 GKEMM C23H42N6O8S2 594.2506 NA PeJP NA NA +PJ007529 SSQHH C23H34N10O9 594.251 NA PeJP NA NA +PJ007530 GGSTHH C23H34N10O9 594.2511 NA PeJP NA NA +MJ084254 Cholest-22-ene-3,4,11,21-tetrol, 3,21-Disulfate C27H46O10S2 594.253239 NA MeJP NA NA +MJ084255 Cholest-5-ene-2,3,21,26-tetrol, 2,21-Disulfate C27H46O10S2 594.253239 NA MeJP NA NA +MJ084256 Cholest-5-ene-2,3,4,21-tetrol, 3,21-Disulfate C27H46O10S2 594.253239 NA MeJP NA NA +MJ084257 Raugustine C32H38N2O9 594.25773 NA MeJP NA NA +MJ084258 Renieramycin A; Et ether C32H38N2O9 594.25773 NA MeJP NA NA +MJ084259 Reserpine, O17-De-Me C32H38N2O9 594.25773 NA MeJP NA NA +PJ007531 GPCRY C25H38N8O7S 594.2584 NA PeJP NA NA +PJ007532 GGPPMH C25H38N8O7S 594.2585 NA PeJP NA NA +PJ007533 GFWW C33H34N6O5 594.2591 NA PeJP NA NA +PJ007534 GTMMR C22H42N8O7S2 594.2618 NA PeJP NA NA +PJ007535 STTTW C26H38N6O10 594.265 NA PeJP NA NA +PJ007536 KMMW C27H42N6O5S2 594.2658 NA PeJP NA NA +MJ084260 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 1,2-dibutanoyl, 14-Ac C30H42O12 594.267626 NA MeJP NA NA +MJ084261 3,6,8,12,14-Pentahydroxybufa-4,20,22-trienolide, 3-O-?-D-Glucopyranoside C30H42O12 594.267626 NA MeJP NA NA +MJ084262 4(20),11-Taxadiene-1,2,5,7,9,10,13-heptol, 2,7,9,10,13-Penta-Ac C30H42O12 594.267626 NA MeJP NA NA +MJ084263 4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 4?,20-Epoxide, 2,7,9,10,13-penta-Ac C30H42O12 594.267626 NA MeJP NA NA +MJ084264 4(20),12-Taxadiene-2,5,7,9,10,11,13-heptol, 2,7,9,10,13-Penta-Ac C30H42O12 594.267626 NA MeJP NA NA +MJ084265 4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 3-(2-Acetoxy-2-methylpropanoyl), 6,19-di-Ac C30H42O12 594.267626 NA MeJP NA NA +MJ084266 4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 3,6,7,14,20-Penta-Ac C30H42O12 594.267626 NA MeJP NA NA +MJ084267 4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 3,6,7,9,11,14-Hexa-Ac C30H42O12 594.267626 NA MeJP NA NA +MJ084268 4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 3,6,7,9,14-Penta-Ac C30H42O12 594.267626 NA MeJP NA NA +MJ084269 4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 3,6,7,9,20-Penta-Ac C30H42O12 594.267626 NA MeJP NA NA +MJ084270 4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 6,7,9,14,20-Penta-Ac C30H42O12 594.267626 NA MeJP NA NA +MJ084271 5,20-Epoxy-11-taxene-2,4,7,9,10,13-hexol, 2,7,9,10,13-Penta-Ac C30H42O12 594.267626 NA MeJP NA NA +MJ084272 8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 3-Butanoyl, 2,9,14-tri-Ac C30H42O12 594.267626 NA MeJP NA NA +MJ084273 Centrolobol, 3-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C30H42O12 594.267626 NA MeJP NA NA +MJ084274 Centrolobol, 4''-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C30H42O12 594.267626 NA MeJP NA NA +3088 gluten B5 exorphin YGGWL 594.268 celiac toxic Inhouse_peptide NA peptide +PJ007537 STKEM C23H42N6O10S 594.2683 NA PeJP NA NA +PJ007538 ACKHH C24H38N10O6S 594.2697 NA PeJP NA NA +MJ084275 7-O-Demethylpeinamine, O7-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084276 7-O-Demethylpeinamine, N2-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084277 7-O-Demethylpeinamine, O7-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084278 Antioquine, N2-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084279 Aromoline C36H38N2O6 594.272986 NA MeJP NA NA +MJ084280 Atherospermoline C36H38N2O6 594.272986 NA MeJP NA NA +MJ084281 Baluchistine C36H38N2O6 594.272986 NA MeJP NA NA +MJ084282 Berbamine; O6-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084283 Chondocurine C36H38N2O6 594.272986 NA MeJP NA NA +MJ084284 Curine C36H38N2O6 594.272986 NA MeJP NA NA +MJ084285 Daphnandrine C36H38N2O6 594.272986 NA MeJP NA NA +MJ084286 Dryadodaphnine C36H38N2O6 594.272986 NA MeJP NA NA +MJ084287 Fangchinoline, N2'-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084288 Fangchinoline, N2-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084289 Isochondodendrine C36H38N2O6 594.272986 NA MeJP NA NA +MJ084290 Isothalicberine; O7-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084291 Khyberine C36H38N2O6 594.272986 NA MeJP NA NA +MJ084292 Lauberine; O12-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084293 Lauberine; O6-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084294 Limacusine, N2-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084295 Limacusine, O12-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084296 Obamegine C36H38N2O6 594.272986 NA MeJP NA NA +MJ084297 Oxyacanthine; N2'-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084298 Oxyacanthine; N2-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084299 Pakistanamine; O1,O6'-Di-de-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084300 Pakistanamine; O1,O6-Di-de-Me, 13-epimer C36H38N2O6 594.272986 NA MeJP NA NA +MJ084301 Pakistanamine; O1,O7'-Di-de-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084302 Pakistanine; N2'-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084303 Pakistanine; O6'-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084304 Pakistanine; O7'-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084305 Panurensine; N2'-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084306 Protocuridine C36H38N2O6 594.272986 NA MeJP NA NA +MJ084307 Pycnamine, 2-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084308 Repandine; N2-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084309 Tetrandrine, Di-N-de-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084310 Thalbadenzine C36H38N2O6 594.272986 NA MeJP NA NA +MJ084311 Thalicberine; O7-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084312 Thaliphylline; N2'-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084313 Thalmine; 2-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084314 Thalrugosine; N2-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084315 Tiliageine; 1'-Epimer, O7-Me, N2,N2'-di-de-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084316 Tiliageine; N2'-De-Me C36H38N2O6 594.272986 NA MeJP NA NA +MJ084317 Warifteine; 1,2-Dihydro C36H38N2O6 594.272986 NA MeJP NA NA +MJ084318 Aromoline C36H38N2O6 594.272987 NA MeJP NA NA +MJ084319 Obamegine C36H38N2O6 594.272987 NA MeJP NA NA +C06513 Obamegine C36H38N2O6 594.273 NA KEGG NA NA +C06514 Aromoline C36H38N2O6 594.273 NA KEGG NA NA +C09352 (+)-Bebeerine C36H38N2O6 594.273 NA KEGG NA NA +C09415 Daphnandrine C36H38N2O6 594.273 NA KEGG NA NA +C09543 Isochondrodendrine C36H38N2O6 594.273 NA KEGG NA NA +C11141 (+)-Atherospermoline C36H38N2O6 594.273 NA KEGG NA NA +PJ007539 QERY C25H38N8O9 594.2762 NA PeJP NA NA +JH184 Genistein N/A NA 594.2763 18.64 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +JH184 Genistein N/A NA 594.2763 18.64 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +JH184 Genistein N/A NA 594.2763 18.64 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +JH184 Genistein N/A NA 594.2763 18.64 Inhousejuil11 NA NA +PJ007540 STTMR C22H42N8O9S 594.2796 NA PeJP NA NA +PJ007541 VQYW C30H38N6O7 594.2802 NA PeJP NA NA +PJ007542 GPKMY C27H42N6O7S 594.2836 NA PeJP NA NA +PJ007543 SSSTTL C23H42N6O12 594.2861 NA PeJP NA NA +PJ007544 SVKMM C24H46N6O7S2 594.287 NA PeJP NA NA +PJ007545 GPEHR C24H38N10O8 594.2874 NA PeJP NA NA +MJ084320 4(15)-Eudesmene-1,6,11,14-tetrol, 6-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H46O14 594.288756 NA MeJP NA NA +PJ007546 ARYW C29H38N8O6 594.2914 NA PeJP NA NA +PJ007547 GPVHW C29H38N8O6 594.2915 NA PeJP NA NA +8166 peptide derived from human fibrinogen ?-chain (400-411) HHLGGAKQAGDV 594.29195 MH2+ Inhouse_peptide NA peptide +PJ007548 AAMFR C26H42N8O6S 594.2948 NA PeJP NA NA +7475 coeliac toxic peptide VEKIGGASSRGE 594.2975 MH2+ Inhouse_peptide NA peptide +3165 laminin-like peptide YIGSR 594.301 celiac toxic Inhouse_peptide NA peptide +3427 NA YIGSR 594.301 ACE inhibitor Inhouse_peptide NA peptide +PJ007549 SPTKY C27H42N6O9 594.3013 NA PeJP NA NA +PJ007550 GVKEY C27H42N6O9 594.3014 NA PeJP NA NA +3482 ACE inhibitor SFQPQPLIYP 594.3015 MH2+ Inhouse_peptide NA peptide +PJ007551 PHRW C28H38N10O5 594.3027 NA PeJP NA NA +MJ084321 1,3,4,5,8,10,11-Heptahydroxy-7(14)-bisabolen-2-one; 11-Me ether, 1,4,8-triangeloyl C31H46O11 594.304012 NA MeJP NA NA +MJ084322 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(6-O-Acetyl-?-D-allopyranoside) C31H46O11 594.304012 NA MeJP NA NA +MJ084323 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[6-O-Acetyl-?-D-glucopyranoside] C31H46O11 594.304012 NA MeJP NA NA +MJ084324 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-?-D-glucopyranoside C31H46O11 594.304012 NA MeJP NA NA +MJ084325 3,14,19-Trihydroxycard-20(22)-enolide, 19-Ac, 3-O-?-D-glucopyranoside C31H46O11 594.304012 NA MeJP NA NA +PJ007552 KERY C26H42N8O8 594.3126 NA PeJP NA NA +PJ007553 VKYW C31H42N6O6 594.3166 NA PeJP NA NA +MJ084326 Ingenol; 16-Angeloyloxy, 3-(2,4,6-decatrienoyl) C35H46O8 594.319268 NA MeJP NA NA +MJ084327 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl, 20-tigloyl C35H46O8 594.319268 NA MeJP NA NA +PJ007554 GLKMF C28H46N6O6S 594.32 NA PeJP NA NA +MJ084328 4,4-Dimethylergosta-8,14,24(28)-triene-2,3,11,12-tetrol, 12-Ac, 3-O-sulfate C32H50O8S 594.322639 NA MeJP NA NA +PJ007555 TRRY C25H42N10O7 594.3238 NA PeJP NA NA +MJ084329 Murrafoline A C41H42N2O2 594.324628 NA MeJP NA NA +MJ084330 Orthenthose C28H50O13 594.325141 NA MeJP NA NA +MJ084331 Trienomycin; Trienomycin F C34H46N2O7 594.330501 NA MeJP NA NA +PJ007556 ATLKY C28H46N6O8 594.3377 NA PeJP NA NA +MJ084332 3,5,7,8,9,15-Hexahydroxy-6(17),11-jatrophadien-14-one, 5,7,8-Tris(2-methylpropanoyl) C32H50O10 594.340397 NA MeJP NA NA +MJ084333 Strevertenes; Strevertene B C32H50O10 594.340397 NA MeJP NA NA +MJ084334 Strevertenes; Strevertene C C32H50O10 594.340397 NA MeJP NA NA +MJ084335 Tedanolide; 13-Deoxy C32H50O10 594.340397 NA MeJP NA NA +C16861 13-Deoxytedanolide C32H50O10 594.3404 NA KEGG NA NA +C05793 L-Urobilin C33H46N4O6 594.3417 NA KEGG NA NA +HMDB04159 L-Urobilin C33H46N4O6 594.341736 NA HMDB2010 NA NA +HMDB04159 L-Urobilin C33H46N4O6 594.34174 http://www.hmdb.ca/metabolites/HMDB04159 HMDB NA NA +HMDB04159 L-Urobilin C33H46N4O6 594.34174 HMDB04159 PFEM_hmdb_metabocards_official NA NA +CJneg0647 L-urobilin [(M-H)]- C33H45N4O6 594.342325 C18rt(min)=9.33 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0647 L-urobilin [(M-H)]- C33H45N4O6 594.342325 C18rt(min)=9.33 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +PJ007557 PTLKH C27H46N8O7 594.349 NA PeJP NA NA +MJ084336 3,14,22,25-Tetrahydroxycholest-7-en-6-one, 25-Benzoyl, 22-Ac C36H50O7 594.355653 NA MeJP NA NA +MJ084337 3,3'-Dicaffeic acid, Di-Me ether, dioctyl ester C36H50O7 594.355653 NA MeJP NA NA +C16147 Glycosyl-4,4'-diaponeurosporenoate C36H50O7 594.3557 NA KEGG NA NA +PJ007558 GLLHR C26H46N10O6 594.3602 NA PeJP NA NA +2621 synthetic fr,of human beta-CN (72-77) ACE inhibitor PAVVLP 594.361 NA Inhouse_peptide NA peptide +MJ084338 2,3-Didehydro-3,3'-dihydroxy-?,?-carotene-4,4'-dione C40H50O4 594.37091 NA MeJP NA NA +MJ084339 7,7',8,8'-Tetradehydro-3,3',4'-trihydroxy-?,?-caroten-4-one C40H50O4 594.37091 NA MeJP NA NA +MJ084340 7,7',8,8'-Tetradehydroastaxanthin; 7',8'-Dihydro C40H50O4 594.37091 NA MeJP NA NA +PJ007559 GPPVLL C29H50N6O7 594.3741 NA PeJP NA NA +MJ084341 Aldecalmycin C33H54O9 594.376783 NA MeJP NA NA +MJ084342 Cotylenin E; 4'-O-(1,1-Dimethyl-2-propenyl) C33H54O9 594.376783 NA MeJP NA NA +MJ084343 Furost-5-ene-3,22,26-triol, 26-O-?-D-Glucopyranoside C33H54O9 594.376783 NA MeJP NA NA +MJ084344 Spirostane-1,3-diol, 3-O-?-D-Glucopyranoside C33H54O9 594.376783 NA MeJP NA NA +MJ084345 Spirostane-2,3-diol, 3-O-?-D-Galactopyranoside C33H54O9 594.376783 NA MeJP NA NA +MJ084346 Spirostane-3,11-diol, 11-O-?-D-Galactopyranoside C33H54O9 594.376783 NA MeJP NA NA +PJ007560 PPLLR C28H50N8O6 594.3854 NA PeJP NA NA +MJ084347 Buxaminol I; N3,N3-Di-Me, O-(4-hydroxy-3,5-dimethoxybenzoyl) C35H52N3O5 594.390696 NA MeJP NA NA +MJ084348 12-Oleanene-3,16,21,22,28-pentol, 21-Benzoyl C37H54O6 594.392039 NA MeJP NA NA +MJ084349 3,11,12-Trihydroxy-20-ursen-28-oic acid, 3-O-(4-Hydroxyphenyl), 11-Me ether C37H54O6 594.392039 NA MeJP NA NA +MJ084350 3-(3,7-Dimethyl-5-oxo-2,6-octadienyl)-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde; 1'-O-(9Z,12Z-Octadecadienoyl) C37H54O6 594.392039 NA MeJP NA NA +MJ084351 Hericenone H C37H54O6 594.392039 NA MeJP NA NA +MJ084352 Ingenol; 3-(2Z,4Z-Tetradecadienoyl), 5,20-acetonide C37H54O6 594.392039 NA MeJP NA NA +MJ084353 Eurylene C34H58O8 594.413168 NA MeJP NA NA +MJ084354 Huratoxin; 3-Alcohol, 1,2,2',3',4',5',15,16-octahydro C34H58O8 594.413168 NA MeJP NA NA +MJ084355 Phomenoic acid C34H58O8 594.413168 NA MeJP NA NA +MJ084356 Raspacionin; 21-Deacetyl, 10,28-dihydro, 10?-acetoxy C34H58O8 594.413168 NA MeJP NA NA +MJ084357 Echinenone; 4'-Ethoxy C42H58O2 594.443681 NA MeJP NA NA +MJ084358 6-Hydroxydesacetyluvaricin (incorr.) C35H62O7 594.449554 NA MeJP NA NA +MJ084359 Annocherin C35H62O7 594.449554 NA MeJP NA NA +MJ084360 Annonacin; 10-Ketone C35H62O7 594.449554 NA MeJP NA NA +MJ084361 Annonacin; 19,20-Diepimer, 10-ketone C35H62O7 594.449554 NA MeJP NA NA +MJ084362 Annoreticuin; 9-Deoxy, 11-oxo C35H62O7 594.449554 NA MeJP NA NA +MJ084363 Annoreticuin; 9-Ketone C35H62O7 594.449554 NA MeJP NA NA +MJ084364 Atemoyin; 21-Epimer, 26?-hydroxy C35H62O7 594.449554 NA MeJP NA NA +MJ084365 Isoannonacin A; 10-Ketone, 20-epimer C35H62O7 594.449554 NA MeJP NA NA +MJ084366 Isomolvizarin 1 C35H62O7 594.449554 NA MeJP NA NA +MJ084367 Longimicin B C35H62O7 594.449554 NA MeJP NA NA +MJ084368 Longimicin C C35H62O7 594.449554 NA MeJP NA NA +MJ084369 Molvizarin C35H62O7 594.449554 NA MeJP NA NA +MJ084370 Parviflorin C35H62O7 594.449554 NA MeJP NA NA +MJ084371 Rollimembrin C35H62O7 594.449554 NA MeJP NA NA +MJ084372 Rollinacin C35H62O7 594.449554 NA MeJP NA NA +MJ084373 Squamolinone C35H62O7 594.449554 NA MeJP NA NA +MJ084374 Squamone C35H62O7 594.449554 NA MeJP NA NA +MJ084375 Stigmastane-3,5-diol, 3-O-?-D-Glucopyranoside C35H62O7 594.449554 NA MeJP NA NA +MJ084376 Xylopianin; 8-Ketone C35H62O7 594.449554 NA MeJP NA NA +MJ084377 8,13-Epoxy-14,15,16,19-labdanetetrol, 19-Hexadecanoyl C36H66O6 594.485939 NA MeJP NA NA +C13861 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol C37H70O5 594.5223 NA KEGG NA NA +HMDB07021 DG(14:0/20:1(11Z)/0:0) C37H70O5 594.522339 NA HMDB2010 NA NA +HMDB07049 DG(14:1(9Z)/20:0/0:0) C37H70O5 594.522339 NA HMDB2010 NA NA +HMDB07101 DG(16:0/18:1(11Z)/0:0) C37H70O5 594.522339 NA HMDB2010 NA NA +HMDB07102 DG(16:0/18:1(9Z)/0:0) C37H70O5 594.522339 NA HMDB2010 NA NA +HMDB07129 DG(16:1(9Z)/18:0/0:0) C37H70O5 594.522339 NA HMDB2010 NA NA +HMDB07157 DG(18:0/16:1(9Z)/0:0) C37H70O5 594.522339 NA HMDB2010 NA NA +HMDB07185 DG(18:1(11Z)/16:0/0:0) C37H70O5 594.522339 NA HMDB2010 NA NA +HMDB07214 DG(18:1(9Z)/16:0/0:0) C37H70O5 594.522339 NA HMDB2010 NA NA +HMDB07357 DG(20:0/14:1(9Z)/0:0) C37H70O5 594.522339 NA HMDB2010 NA NA +HMDB07385 DG(20:1(11Z)/14:0/0:0) C37H70O5 594.522339 NA HMDB2010 NA NA +HMDB05204 DG(16:0/18:1(11Z)/0:0) C37H70O5 594.52234 http://www.hmdb.ca/metabolites/HMDB05204 HMDB NA NA +HMDB05205 DG(16:0/18:1(9Z)/0:0) C37H70O5 594.52234 http://www.hmdb.ca/metabolites/HMDB05205 HMDB NA NA +HMDB05219 DG(16:1(9Z)/18:0/0:0)[iso2] C37H70O5 594.52234 http://www.hmdb.ca/metabolites/HMDB05219 HMDB NA NA +HMDB05226 DG(18:1(9Z)/16:0/0:0) C37H70O5 594.52234 http://www.hmdb.ca/metabolites/HMDB05226 HMDB NA NA +HMDB05204 DG(16:0/18:1(11Z)/0:0) C37H70O5 594.52234 HMDB05204 PFEM_hmdb_metabocards_official NA NA +HMDB05205 DG(16:0/18:1(9Z)/0:0) C37H70O5 594.52234 HMDB05205 PFEM_hmdb_metabocards_official NA NA +HMDB05219 DG(16:1(9Z)/18:0/0:0)[iso2] C37H70O5 594.52234 HMDB05219 PFEM_hmdb_metabocards_official NA NA +HMDB05226 DG(18:1(9Z)/16:0/0:0) C37H70O5 594.52234 HMDB05226 PFEM_hmdb_metabocards_official NA NA +HMDB10367 CE(14:1(9Z)) C41H70O2 594.537598 NA HMDB2010 NA NA +MJ084378 3,7,11,15,18,22,26,30-Octamethyl-1,32-dotriacontanediol C40H82O2 594.631481 NA MeJP NA NA +2731 renin inhibitor PHPFHFFVY 594.7775 MH2+ Inhouse_peptide NA peptide +2845 orphanin FQ/nociceptin analog [FQ/N (1-11)] FGGFTGARKSY 594.7865 MH2+ Inhouse_peptide NA peptide +MetaCyc03940 heparin [enoxaparin;] C12H21N1O20S3 594.981904 9005-49-6 metacyc NA NA +MetaCyc03941 3-adp-2-phosphoglycerate [] C13H20N5O16P3 595.011789 NA metacyc NA NA +C03673 3-(ADP)-2-phosphoglycerate C13H20N5O16P3 595.0118 NA KEGG NA NA +C03674 3-Carbamoyloxymethylcephem C10H9N3O6SR2 595.0118 NA KEGG NA NA +MJ084379 Nakamuric acid; Me ester C21H23Br2N7O4 595.017827 NA MeJP NA NA +MJ084380 Dichloro(5,7,8,10,11,13,14,16-octahydro[1,4,7,10]tetraoxacyclohexadecino[13,12-b:14,15-b']bipyridine-N1,N20)platinum C18H22Cl2N2O4Pt 595.060437 NA MeJP NA NA +MJ084381 Pyritidium(2+); Dibromide C26H27Br2N7 595.069469 NA MeJP NA NA +MJ084382 Lamellarin H; 5,6-Dihydro, 8,9,13,21-tetra-Me ether, 20-sulfate C29H25NO11S 595.114831 NA MeJP NA NA +PJ007561 CCCMH C20H33N7O6S4 595.1375 NA PeJP NA NA +PJ007562 CDDDE C20H29N5O14S 595.1432 NA PeJP NA NA +FL7AAAGL0018 Pelargonidin 3-(6''-caffeylglucoside) C30H27O13 595.14516 - knapsack NA NA +FL7AACGL0030 Hyacinthin;Cyanidin 3-(6-O-p-coumarylglucoside) C30H27O13 595.14516 56767-17-0 knapsack NA NA +MetaCyc03942 pelargonidin 3-O-β-D-caffeoylglucoside [] C30H27O13 595.145166 NA metacyc NA NA +C12095 Cyanidin 3-O-(6-O-p-coumaroyl)glucoside C30H27O13 595.1452 NA KEGG NA NA +C16297 Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) C30H27O13 595.1452 NA KEGG NA NA +MJ084383 Cephamycin B; 3'-Hydroxy C25H29N3O12S 595.147194 NA MeJP NA NA +PJ007563 GPCCCN C20H33N7O8S3 595.1553 NA PeJP NA NA +FL7AAAGA0004 Pelargonidin 3-galactoside-5-glucoside C27H31O15 595.16629 - knapsack NA NA +FL7AAAGL0001 Pelargonin;Pelargonidin 3,5-di-beta-D-glucoside C27H31O15 595.16629 17334-58-6 knapsack NA NA +FL7AAAGL0004 Pelargonidin 3-sophoroside C27H31O15 595.16629 34365-81-6 knapsack NA NA +FL7AAAGL0005 Pelargonidin 3-gentiobioside C27H31O15 595.16629 103102-91-6 knapsack NA NA +FL7AAAGL0056 Pelargonidin 3,7-di-glucoside C27H31O15 595.16629 102521-86-8 knapsack NA NA +FL7AACGA0003 Cyanidin 3-robinobioside C27H31O15 595.16629 54542-59-5 knapsack NA NA +FL7AACGL0002 Cyanidin 3-rutinoside C27H31O15 595.16629 18719-76-1 knapsack NA NA +FL7AACGL0009 Cyanidin 3-neohesperidoside;Cyanidin 3-(2-rhamnosylglucoside) C27H31O15 595.16629 54947-80-7 knapsack NA NA +FL7AACGL0012 Cyanidin 3-glucoside-7-rhamnoside C27H31O15 595.16629 26784-20-3 knapsack NA NA +FL7AACGS0006 Cyanidin 3-rhamnoside-5-glucoside C27H31O15 595.16629 53859-12-4 knapsack NA NA +FL7AADGA0003 Peonidin 3-[2-(xylosyl)galactoside] C27H31O15 595.16629 155380-00-0 knapsack NA NA +FL7AADGL0003 Peonidin 3-sambubioside C27H31O15 595.16629 80950-34-1 knapsack NA NA +FL7AADGL0027 Peonidin 3-(4'-arabinosylglucoside) C27H31O15 595.16629 73818-28-7 knapsack NA NA +FL7AEAGL0001 6-Hydroxypelargonidin 3-rutinoside C27H31O15 595.16629 554450-50-9 knapsack NA NA +FL7DACGS0004 Luteolinidin 5,7-diglucoside C27H31O15 595.16629 53947-98-1 knapsack NA NA +MetaCyc03943 pelargonidin-3,5-diglucoside [] C27H31O15 595.166295 NA metacyc NA NA +MetaCyc03944 cyanidin 3-O-rhamnosylglucoside [CYANIDIN-3-O-D-RHAMNOSYL-(1,6)-D-GLUCOSIDE;] C27H31O15 595.166295 NA metacyc NA NA +MetaCyc03945 cyanidin 3-rutinoside [antirrhinin;sambucin;keracyanin;cyanidin 3-rhamnoglucoside;] C27H31O15 595.166295 NA metacyc NA NA +C08620 Cyanidin 3-O-rutinoside C27H31O15 595.1663 NA KEGG NA NA +C08725 Pelargonin C27H31O15 595.1663 NA KEGG NA NA +C16305 Pelargonidin 3-O-sophoroside C27H31O15 595.1663 NA KEGG NA NA +PJ007564 CNNDM C20H33N7O10S2 595.1731 NA PeJP NA NA +PJ007565 SDDEM C21H33N5O13S 595.1796 NA PeJP NA NA +PJ007566 PCDMM C22H37N5O8S3 595.1804 NA PeJP NA NA +PJ007567 GCCQW C24H33N7O7S2 595.1883 NA PeJP NA NA +MJ084384 Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,8-Di-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-2-O-acetyl-?-L-rhamnopyranoside] C27H33NO14 595.190104 NA MeJP NA NA +PJ007568 GSSCNE C20H33N7O12S 595.1908 NA PeJP NA NA +PJ007569 PCDDF C25H33N5O10S 595.1948 NA PeJP NA NA +PJ007570 GEEMM C22H37N5O10S2 595.1982 NA PeJP NA NA +PJ007571 PCCHH C23H33N9O6S2 595.1995 NA PeJP NA NA +MJ084385 N-[2-[[1-[(2-Bromophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazol-6-yl]oxy]ethyl]-N-(1-methylethyl)-2-propanamine C31H38BrN3O4 595.204569 NA MeJP NA NA +PJ007572 SSCNW C24H33N7O9S 595.2061 NA PeJP NA NA +MJ084386 Tauroselcholic acid C26H45NO7SSe 595.208195 NA MeJP NA NA +PJ007573 SSSSND C20H33N7O14 595.2086 NA PeJP NA NA +PJ007574 SNNMM C21H37N7O9S2 595.2094 NA PeJP NA NA +PJ007575 GGGGSMM C21H37N7O9S2 595.2095 NA PeJP NA NA +PJ007576 SPDDY C25H33N5O12 595.2126 NA PeJP NA NA +PJ007577 EMMW C26H37N5O7S2 595.2135 NA PeJP NA NA +PJ007578 STEEM C22H37N5O12S 595.216 NA PeJP NA NA +PJ007579 SPMMM C23H41N5O7S3 595.2168 NA PeJP NA NA +PJ007580 GDMHH C23H33N9O8S 595.2173 NA PeJP NA NA +MJ084387 Acrimarine J; O5-De-Me, 6-deoxy C35H33NO8 595.220617 NA MeJP NA NA +PJ007581 SCCQR C20H37N9O8S2 595.2207 NA PeJP NA NA +PJ007582 GNNEY C24H33N7O11 595.2238 NA PeJP NA NA +PJ007583 GCCKW C25H37N7O6S2 595.2247 NA PeJP NA NA +PJ007584 GSSSQM C21H37N7O11S 595.2272 NA PeJP NA NA +PJ007585 DEFW C29H33N5O9 595.2279 NA PeJP NA NA +PJ007586 GPEMY C26H37N5O9S 595.2312 NA PeJP NA NA +PJ007587 SVEMM C23H41N5O9S2 595.2346 NA PeJP NA NA +PJ007588 SSEHH C23H33N9O10 595.2351 NA PeJP NA NA +PJ007589 GSSSCR C20H37N9O10S 595.2384 NA PeJP NA NA +PJ007590 NNYW C28H33N7O8 595.2391 NA PeJP NA NA +MJ084388 1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 2-benzoyl, 1,6-di-Ac C32H37NO10 595.241746 NA MeJP NA NA +MJ084389 1,2,8,9,14-Pentahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 9-benzoyl, 1,2-di-Ac C32H37NO10 595.241746 NA MeJP NA NA +MJ084390 1,4,6,8,9-Pentahydroxydihydro-?-agarofuran, 6-(3-Pyridinecarbonyl), 1-benzoyl, 8,9-di-Ac C32H37NO10 595.241746 NA MeJP NA NA +PJ007591 GNQMF C25H37N7O8S 595.2425 NA PeJP NA NA +PJ007592 SSSSTQ C21H37N7O13 595.2449 NA PeJP NA NA +PJ007593 GGSSSTT C21H37N7O13 595.245 NA PeJP NA NA +PJ007594 SCQKM C22H41N7O8S2 595.2458 NA PeJP NA NA +PJ007595 PMYW C30H37N5O6S 595.2465 NA PeJP NA NA +HMDB02581 Taurocholic acid 3-sulfate C26H45NO10S2 595.24847 http://www.hmdb.ca/metabolites/HMDB02581 HMDB NA NA +HMDB02581 Taurocholic acid 3-sulfate C26H45NO10S2 595.24847 HMDB02581 PFEM_hmdb_metabocards_official NA NA +HMDB02581 Taurocholic acid 3-sulfate C26H45NO10S2 595.248474 NA HMDB2010 NA NA +PJ007596 GVEEY C26H37N5O11 595.249 NA PeJP NA NA +PJ007597 APMMF C27H41N5O6S2 595.2498 NA PeJP NA NA +PJ007598 ALMMM C24H45N5O6S3 595.2532 NA PeJP NA NA +PJ007599 GCNFR C24H37N9O7S 595.2537 NA PeJP NA NA +PJ007600 SCCKR C21H41N9O7S2 595.2571 NA PeJP NA NA +PJ007601 EERY C25H37N7O10 595.2602 NA PeJP NA NA +PJ007602 GSSSKM C22H41N7O10S 595.2636 NA PeJP NA NA +PJ007603 VEYW C30H37N5O8 595.2642 NA PeJP NA NA +PJ007604 SPVMY C27H41N5O8S 595.2676 NA PeJP NA NA +PJ007605 TTLMM C24H45N5O8S2 595.271 NA PeJP NA NA +PJ007606 GSNRY C24H37N9O9 595.2714 NA PeJP NA NA +PJ007607 GGGSRY C24H37N9O9 595.2715 NA PeJP NA NA +MJ084391 Anopterine; O11-Detigloyl, 11-(4-hydroxybenzoyl), 7?-hydroxy C33H41NO9 595.278131 NA MeJP NA NA +PJ007608 GNKMF C26H41N7O7S 595.2788 NA PeJP NA NA +PJ007609 GGGKMF C26H41N7O7S 595.2789 NA PeJP NA NA +MJ084392 Ergostine C34H37N5O5 595.279469 NA MeJP NA NA +MJ084393 Ergotamine; N1-Me C34H37N5O5 595.279469 NA MeJP NA NA +PJ007610 PFFW C34H37N5O5 595.2795 NA PeJP NA NA +PJ007611 SSSSTK C22H41N7O12 595.2813 NA PeJP NA NA +PJ007612 SCKKM C23H45N7O7S2 595.2822 NA PeJP NA NA +PJ007613 LMFW C31H41N5O5S 595.2829 NA PeJP NA NA +PJ007614 ATLEY C27H41N5O10 595.2854 NA PeJP NA NA +PJ007615 GVHHF C28H37N9O6 595.2867 NA PeJP NA NA +2625 synthetic fr,of human beta-CN (59-63) ACE inhibitor YGFLP 595.288 NA Inhouse_peptide NA peptide +2866 NA YGFLP 595.288 antibacterial Inhouse_peptide NA peptide +PJ007616 GTQKY C26H41N7O9 595.2966 NA PeJP NA NA +PJ007617 HHFR C27H37N11O5 595.2979 NA PeJP NA NA +MJ084394 Brevigellin C31H41N5O7 595.300598 NA MeJP NA NA +C15654 Kni 102 C31H41N5O7 595.3006 NA KEGG NA NA +PJ007618 GPLFY C31H41N5O7 595.3006 NA PeJP NA NA +PJ007619 GLLMY C28H45N5O7S 595.304 NA PeJP NA NA +PJ007620 SPQKH C25H41N9O8 595.3078 NA PeJP NA NA +HMDB00950 Tricosanamide C41H41NO3 595.30865 http://www.hmdb.ca/metabolites/HMDB00950 HMDB NA NA +HMDB00950 Tricosanamide C41H41NO3 595.30865 HMDB00950 PFEM_hmdb_metabocards_official NA NA +MJ084395 Chymostatin; Chymostatin B, 1'-Alcohol C30H41N7O6 595.311832 NA MeJP NA NA +MJ084396 SP-Chymostatin B C30H41N7O6 595.311832 NA MeJP NA NA +PJ007621 PPVHF C30H41N7O6 595.3119 NA PeJP NA NA +MJ084397 Antibiotic WF 1360D C34H45NO8 595.314517 NA MeJP NA NA +MJ084398 Rhizoxin; 2,3-Deepoxy, 2,3-didehydro, O-de-Me C34H45NO8 595.314517 NA MeJP NA NA +3409 ACE inhibitor LLNPPHQIYP 595.31495 MH2+ Inhouse_peptide NA peptide +PJ007622 ACKKF C27H45N7O6S 595.3152 NA PeJP NA NA +PJ007623 GVQHR C24H41N11O7 595.3191 NA PeJP NA NA +PJ007624 STLLY C28H45N5O9 595.3217 NA PeJP NA NA +PJ007625 QHRR C23H41N13O6 595.3303 NA PeJP NA NA +PJ007626 GTKKY C27H45N7O8 595.333 NA PeJP NA NA +PJ007627 GLLFF C32H45N5O6 595.337 NA PeJP NA NA +MJ084399 Hexakis(tert-butyl isocyanide)technetium(1+) C30H54N6Tc(+) 595.340386 NA MeJP NA NA +PJ007628 PPVQR C26H45N9O7 595.3442 NA PeJP NA NA +CJneg0648 L-urobilin [(M-H)]- (13C) C3213CH45N4O6 595.345625 C18rt(min)=9.33 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0648 L-urobilin [(M-H)]- (13C) C3213CH45N4O6 595.345625 C18rt(min)=9.33 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ084400 Kahalalide D C31H45N7O5 595.348217 NA MeJP NA NA +PJ007629 APPRR C25H45N11O6 595.3555 NA PeJP NA NA +MJ084401 Destruxin C; Destruxin C, N3-De-Me C29H49N5O8 595.358113 NA MeJP NA NA +MJ084402 Destruxin C; Destruxin C2 C29H49N5O8 595.358113 NA MeJP NA NA +MJ084403 Destruxin F C29H49N5O8 595.358113 NA MeJP NA NA +PJ007630 KHRR C24H45N13O5 595.3667 NA PeJP NA NA +PJ007631 TLLLH C28H49N7O7 595.3694 NA PeJP NA NA +PJ007632 PPVKR C27H49N9O6 595.3806 NA PeJP NA NA +EUR752 Lyso PC 20:1 [M+FA-H]- C28H56NO7P 595.384322 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR752 Lyso PC 20:1 [M+FA-H]- C28H56NO7P 595.384322 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR752 Lyso PC 20:1 [M+FA-H]- C28H56NO7P 595.384322 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR752 Lyso PC 20:1 [M+FA-H]- C28H56NO7P 595.384322 masses lipides attendues Inhousejuil11 NA NA +EUR600 LysoPC(20:1) [M+FA-H]- 595.384325 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR600 LysoPC(20:1) [M+FA-H]- 595.384325 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR600 LysoPC(20:1) [M+FA-H]- 595.384325 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR600 LysoPC(20:1) [M+FA-H]- 595.384325 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR600 LysoPC(20:1) [M+FA-H]- 595.384325 identifiés dans sérum NuGO HMDB NA NA +EUR600 LysoPC(20:1) [M+FA-H]- 595.384325 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR600 LysoPC(20:1) [M+FA-H]- 595.384325 identifies dans serum NuGO Inhousejuil11 NA NA +EUR600 LysoPC(20:1) [M+FA-H]- 595.384325 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR600 LysoPC(20:1) [M+FA-H]- 595.384325 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR898 Lyso PE 22:1 [M-H+acetate]- C27H54NO7P 595.384892 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR898 Lyso PE 22:1 [M-H+acetate]- C27H54NO7P 595.384892 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR898 Lyso PE 22:1 [M-H+acetate]- C27H54NO7P 595.384892 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR898 Lyso PE 22:1 [M-H+acetate]- C27H54NO7P 595.384892 masses lipides attendues Inhousejuil11 NA NA +MJ084404 Isariin B C30H53N5O7 595.394499 NA MeJP NA NA +MJ084405 Jurubine C33H57NO8 595.408417 NA MeJP NA NA +MJ084406 Stevastelin C3; 13-Deoxy, 12,13-didehydro C32H57N3O7 595.419651 NA MeJP NA NA +MJ084407 Myxovirescin A; Myxovirescin A1, 13-De-Et, 13-Me, 4-epimer, 9-deoxo C34H61NO7 595.444803 NA MeJP NA NA +MJ084408 Myxovirescin A; Myxovirescin A1, 13-De-Et, 13-Me, 9-deoxo C34H61NO7 595.444803 NA MeJP NA NA +MJ084409 2-[[[(2,2-Dimethylpropyl)nonyl]amino]carbonylamino]cyclohexyl N-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonyl]-?-alaninate C33H61N3O6 595.456036 NA MeJP NA NA +HMDB11764 Cer(d18:0/20:0) C38H77NO3 595.590332 NA HMDB2010 NA NA +C15641 XCT 790 C23H13F9N4O3S 596.0565 NA KEGG NA NA +C11600 IACI C26H27IN6O3 596.1191 NA KEGG NA NA +MJ084410 3''',4',4''',5,5'',7,7''-Heptahydroxy-3,6''-biflavone; 3''',4',5-Tri-Me ether C33H24O11 596.131861 NA MeJP NA NA +MJ084411 3''',4',4''',5,5'',7,7''-Heptahydroxy-3,6''-biflavone; 3''',4',7-Tri-Me ether C33H24O11 596.131861 NA MeJP NA NA +MJ084412 3-(3,4-Dihydroxyphenyl)-9-hydroxy-6-(4-hydroxyphenyl)-2-(2,4,6-trihydroxybenzoyl)-8H-furo[2,3-g][1]benzopyran-8-one; 2'',3''',4'-Tri-Me ether C33H24O11 596.131861 NA MeJP NA NA +MJ084413 3-(3,4-Dihydroxyphenyl)-9-hydroxy-6-(4-hydroxyphenyl)-2-(2,4,6-trihydroxybenzoyl)-8H-furo[2,3-g][1]benzopyran-8-one; 2'',4',4'''-Tri-Me ether C33H24O11 596.131861 NA MeJP NA NA +MJ084414 3-(3,4-Dihydroxyphenyl)-9-hydroxy-6-(4-hydroxyphenyl)-2-(2,4,6-trihydroxybenzoyl)-8H-furo[2,3-g][1]benzopyran-8-one; 3'''-Deoxy, 2'',4'''-di-Me ether, 3'-methoxy C33H24O11 596.131861 NA MeJP NA NA +MJ084415 6-(3,4-Dihydroxyphenyl)-9-hydroxy-2-(4-hydroxyphenyl)-3-(2,4,6-trihydroxybenzoyl)-8H-furo[2,3-g][1]benzopyran-8-one; 2'',3',4'''-Tri-Me ether C33H24O11 596.131861 NA MeJP NA NA +C12637 Quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside] C26H28O16 596.1377 NA KEGG NA NA +FL3FAGCS0003 Tricetin 6-C-glucoside-8-C-arabinoside C26H28O16 596.13773 71815-37-7 knapsack NA NA +FL3FAGCS0004 Tricetin 6-C-arabinoside-8-C-glucoside C26H28O16 596.13773 86022-78-8 knapsack NA NA +FL3FALGS0004 Isoetin 7-glucoside-2'-xyloside C26H28O16 596.13773 134981-97-8 knapsack NA NA +FL3FECGS0034 6-Hydroxyluteolin 7-sambubioside C26H28O16 596.13773 150565-99-4 knapsack NA NA +FL3FECGS0044 6-Hydroxyluteolin 7-xylosyl-(1->6)-glucoside;2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one C26H28O16 596.13773 340757-50-8 knapsack NA NA +FL5FACGA0002 Quercetin 3-apiosyl-(1->2)-galactoside C26H28O16 596.13773 99816-58-7 knapsack NA NA +FL5FACGA0003 Quercetin 3-alpha-L-arabinopyranosyl-(1->6)-galactoside C26H28O16 596.13773 13241-30-0 knapsack NA NA +FL5FACGA0004 Quercetin 3-lathyroside C26H28O16 596.13773 83144-69-8 knapsack NA NA +FL5FACGA0012 Quercetin 3-galactoside-7-xyloside C26H28O16 596.13773 - knapsack NA NA +FL5FACGL0002 Quercetin 3-apiosyl-(1->2)-glucoside C26H28O16 596.13773 99882-09-4 knapsack NA NA +FL5FACGL0003 Quercetin 3-alpha-arabinopyranosyl-(1->2)-glucoside C26H28O16 596.13773 161404-86-0 knapsack NA NA +FL5FACGL0004 Quercetin 3-vicianoside C26H28O16 596.13773 23284-18-6 knapsack NA NA +FL5FACGL0005 Quercetin 3-sambubioside C26H28O16 596.13773 83048-35-5 knapsack NA NA +FL5FACGL0006 Quercetin 3-xylosyl-(1->6)-glucoside C26H28O16 596.13773 142905-18-8 knapsack NA NA +FL5FACGL0014 Quercetin 3-glucoside-7-alpha-L-arabionopyranoside C26H28O16 596.13773 71539-81-6 knapsack NA NA +FL5FACGS0024 Quercetin 3-glucosyl-(1->2)-xyloside C26H28O16 596.13773 159030-04-3 knapsack NA NA +FL5FACGS0030 Quercetin 3-alpha-L-arabionopyranoside-7-glucoside C26H28O16 596.13773 28452-84-8 knapsack NA NA +FL5FACGS0031 Quercetin 3-xyloside-7-glucoside C26H28O16 596.13773 35972-56-1 knapsack NA NA +FL5FACGS0066 Quercetin 3-alpha-L-arabinofuranosyl-(1->2)-glucoside C26H28O16 596.13773 - knapsack NA NA +FL5FAGGS0009 Myricetin 3-xylosyl-(1->2)-rhamnoside C26H28O16 596.13773 130866-56-7 knapsack NA NA +FL5FAGGS0021 Myricetin 3-xylosyl-(1->3)-rhamnoside;3-[(6-Deoxy-3-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C26H28O16 596.13773 481070-37-5 knapsack NA NA +FL5FFAGL0002 Herbacetin 3-glucoside-8-xyloside C26H28O16 596.13773 94696-37-4 knapsack NA NA +MJ084416 2',4',5,5',7-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside, 2'-O-?-D-xylopyranoside C26H28O16 596.137734 NA MeJP NA NA +MJ084417 3',4',5,6,7-Pentahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C26H28O16 596.137734 NA MeJP NA NA +MJ084418 3',4',5,6,7-Pentahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C26H28O16 596.137734 NA MeJP NA NA +MJ084419 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside] C26H28O16 596.137734 NA MeJP NA NA +MJ084420 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Galactopyranosyl-(1??)-arabinoside] C26H28O16 596.137734 NA MeJP NA NA +MJ084421 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside] C26H28O16 596.137734 NA MeJP NA NA +MJ084422 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C26H28O16 596.137734 NA MeJP NA NA +MJ084423 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1??)-galactofuranoside] C26H28O16 596.137734 NA MeJP NA NA +MJ084424 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-galactopyranoside] C26H28O16 596.137734 NA MeJP NA NA +MJ084425 3,4',5,7,8-Pentahydroxyflavone; 3-O-?-D-Glucopyranoside, 8-?-D-xylopyranoside C26H28O16 596.137734 NA MeJP NA NA +MJ084426 6-Arabinopyranosyl-8-glucopyranosyl-3',4',5,5',7-pentahydroxyflavone C26H28O16 596.137734 NA MeJP NA NA +MJ084427 8-Arabinopyranosyl-6-glucopyranosyl-3',4',5,5',7-pentahydroxyflavone C26H28O16 596.137734 NA MeJP NA NA +MJ084428 Hyperin; 2''-O-?-D-Apiofuranosyl C26H28O16 596.137734 NA MeJP NA NA +MJ084429 Hyperin; 2''-O-?-D-Xylopyranosyl C26H28O16 596.137734 NA MeJP NA NA +MJ084430 Hyperin; 6''-O-?-L-Arabinopyranosyl C26H28O16 596.137734 NA MeJP NA NA +MJ084431 Hyperin; 7-O-?-D-Xylopyranoside C26H28O16 596.137734 NA MeJP NA NA +MJ084432 Isoquercitrin; 2''-O-?-D-Apiofuranosyl C26H28O16 596.137734 NA MeJP NA NA +MJ084433 Isoquercitrin; 2''-O-?-D-Xylopyranosyl C26H28O16 596.137734 NA MeJP NA NA +MJ084434 Isoquercitrin; 6''-O-?-D-Xylopyranosyl C26H28O16 596.137734 NA MeJP NA NA +MJ084435 Isoquercitrin; 6''-O-?-L-Arabinopyranosyl C26H28O16 596.137734 NA MeJP NA NA +MJ084436 Isoquercitrin; 7-O-D-Xyloside C26H28O16 596.137734 NA MeJP NA NA +MJ084437 Isoquercitrin; 7-O-?-L-Arabinopyranoside C26H28O16 596.137734 NA MeJP NA NA +MJ084438 Isoquercitrin; O''-Xylosyl C26H28O16 596.137734 NA MeJP NA NA +MJ084439 Quercimeritrin; 3-O-?-L-Arabinofuranoside C26H28O16 596.137734 NA MeJP NA NA +MJ084440 Quercimeritrin; 3-O-?-D-Xylopyranoside C26H28O16 596.137734 NA MeJP NA NA +MJ084441 Quercimeritrin; 3-O-?-L-Arabinopyranoside C26H28O16 596.137734 NA MeJP NA NA +MJ084442 Quercimeritrin; 6''-O-?-L-Arabinopyranoside C26H28O16 596.137734 NA MeJP NA NA +MJ084443 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside] C26H29O16(+) 596.137734 NA MeJP NA NA +MJ084444 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C26H29O16(+) 596.137734 NA MeJP NA NA +MJ084445 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1??)-?-D-glucopyranoside] C26H29O16(+) 596.137734 NA MeJP NA NA +MJ084446 3,3',4',5,5',7-Hexahydroxyflavylium(1+); Glycoside C26H29O16(+) 596.137734 NA MeJP NA NA +PJ007633 GPCCCD C20H32N6O9S3 596.1393 NA PeJP NA NA +MJ084447 Aloin, 5-Hydroxy, 6'-O-(3,4-dihydroxycinnamoyl)(E-) C30H28O13 596.15299 NA MeJP NA NA +FL1C3CGS0004 Okanin 4'-(6''-p-coumarylglucoside) C30H28O13 596.15299 115070-75-2 knapsack NA NA +FL2FACGS0017 (2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-p-coumaroylglucoside) C30H28O13 596.15299 467437-59-8 knapsack NA NA +FL2FACGS0018 (2S)-5,7,3',4'-Tetrahydroxyflavanone 3'-(6-p-coumaroylglucoside) C30H28O13 596.15299 522623-06-9 knapsack NA NA +PJ007634 CNDDM C20H32N6O11S2 596.1571 NA PeJP NA NA +MJ084448 6-Chloro-2,8-epoxy-3,9,11,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 12-Ketone, 9-(acetoxyacetyl) 3,11-di-Ac C28H33ClO12 596.166054 NA MeJP NA NA +MJ084449 Carbonarin A; 5'-Deoxy, 3''-methoxy C34H28O10 596.168247 NA MeJP NA NA +MJ084450 Santalin A; 3''-Me ether C34H28O10 596.168247 NA MeJP NA NA +MJ084451 Santalin A; Me ether (?) C34H28O10 596.168247 NA MeJP NA NA +MJ084452 Santarubin B C34H28O10 596.168247 NA MeJP NA NA +PJ007635 GSCCNN C19H32N8O10S2 596.1683 NA PeJP NA NA +PJ007636 GCCEW C24H32N6O8S2 596.1723 NA PeJP NA NA +C08649 Isobutrin C27H32O15 596.1741 NA KEGG NA NA +C09616 Butrin C27H32O15 596.1741 NA KEGG NA NA +C09732 Eriocitrin C27H32O15 596.1741 NA KEGG NA NA +C09805 Neoeriocitrin C27H32O15 596.1741 NA KEGG NA NA +MJ084453 1,2,3,4-Tetrahydroxyxanthone; 2,3,4-Tri-Me ether, 1-O-[?-D-xylofuranosyl-(1?6)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084454 1,2,3,5-Tetrahydroxyxanthone; 2,3,5-Tri-Me ether, 1-O-[?-D-xylofuranosyl-(1?6)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084455 1,2,3,5-Tetrahydroxyxanthone; 2,3,5-Tri-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084456 1,2,3,7-Tetrahydroxyxanthone; 2,3,7-Tri-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084457 1,2,6,8-Tetrahydroxyxanthone; 1,2,6-Tri-Me ether, 8-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084458 1,2,6,8-Tetrahydroxyxanthone; 1,2,6-Tri-Me ether, 8-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084459 1,3,4,5-Tetrahydroxyxanthone; 3,4,5-Tri-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084460 1,3,6,8-Tetrahydroxyxanthone; 3,6,8-Tri-Me ether, 1-O-primeveroside C27H32O15 596.17412 NA MeJP NA NA +MJ084461 10-Hydroxyoleoside, 10-(4-Hydroxy-3-methoxycinnamoyl)(E-), 7-Me ester C27H32O15 596.17412 NA MeJP NA NA +MJ084462 10-Hydroxyoleoside, 10-(4-Hydroxy-3-methoxycinnamoyl)(Z-), 7-Me ester C27H32O15 596.17412 NA MeJP NA NA +MJ084463 2',3,3',4,4'-Pentahydroxychalcone, 4-Me ether, 4'-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084464 2',3,4,4'-Tetrahydroxychalcone; 2',3-Di-O-?-D-glucopyranoside C27H32O15 596.17412 NA MeJP NA NA +MJ084465 2',3,4,4'-Tetrahydroxychalcone; 3,4'-Di-O-?-D-glucopyranoside C27H32O15 596.17412 NA MeJP NA NA +MJ084466 2',3,4,4'-Tetrahydroxychalcone; 4'-O-(Glucosylglucoside) C27H32O15 596.17412 NA MeJP NA NA +MJ084467 2',4,4',6'-Tetrahydroxychalcone; 2',4'-Di-O-?-D-glucopyranoside C27H32O15 596.17412 NA MeJP NA NA +MJ084468 3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether, 4'-O-?-D-apiofuranoside, 7-O-?-D-glucopyranoside C27H32O15 596.17412 NA MeJP NA NA +MJ084469 3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether, 7-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084470 3',4',5,7-Tetrahydroxyflavanone, 5-Me ether, 7-O-[xylosyl-(1??)-arabinoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084471 3',4',5,7-Tetrahydroxyflavanone, 5-Me ether, 7-O-[xylosyl-(1??)-galactoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084472 3',4',5,7-Tetrahydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084473 3',4',5,7-Tetrahydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084474 3',4',7-Trihydroxyflavanone, 3',7-Di-O-?-D-glucopyranoside C27H32O15 596.17412 NA MeJP NA NA +MJ084475 3,3',4',5,7-Pentahydroxyflavanone, 3,5-Di-O-?-L-rhamnopyranoside C27H32O15 596.17412 NA MeJP NA NA +MJ084476 3,3',4',5,7-Pentahydroxyflavanone, 3,7-Di-O-?-L-rhamnopyranoside C27H32O15 596.17412 NA MeJP NA NA +MJ084477 3,4',5,7-Tetrahydroxyflavanone, 3-O-?-L-Rhamnopyranoside, 5-O-?-D-glucopyranoside C27H32O15 596.17412 NA MeJP NA NA +MJ084478 3,4',5,7-Tetrahydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-galactopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084479 3,5,7-Trihydroxyflavanone, 5-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084480 4',5,7-Trihydroxyflavanone, 5,7-Di-O-?-D-glucopyranoside C27H32O15 596.17412 NA MeJP NA NA +MJ084481 4',5,7-Trihydroxyflavanone, 5-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084482 4',5,7-Trihydroxyflavanone, 7-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084483 5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 8-Me ether, 6-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084484 5,7,9,10-Tetrahydroxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one; 5,7-Di-Me ether, 9-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084485 6,8-Diglucopyranosyl-4',5,7-trihydroxyflavanone C27H32O15 596.17412 NA MeJP NA NA +MJ084486 Alphitonin; 3'-Deoxy, 4-O-?-D-glucopyranoside, 4'-O-?-L-rhamnopyranoside C27H32O15 596.17412 NA MeJP NA NA +MJ084487 Asperxanthone; 10-O-De-Me, 10-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MJ084488 Toralactone; 9-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O15 596.17412 NA MeJP NA NA +MetaCyc03946 flavonol-3-O-L-rhamnosylglucoside [] C27H32O15 596.17412 NA metacyc NA NA +FL1BAAGS0003 Hovetrichoside D;2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 4-glucoside 4'-rhamnoside;Maesopsin 4-glucoside 4'-rhamnoside C27H32O15 596.17412 210050-29-6 knapsack NA NA +FL1C1AGS0001 Isobutrin C27H32O15 596.17412 536-01-6 knapsack NA NA +FL1C1CGS0002 Butein 3,2'-diglucoside C27H32O15 596.17412 - knapsack NA NA +FL1C3CGS0017 Okanin 4-methyl ether 4'-primveroside C27H32O15 596.17412 146257-94-5 knapsack NA NA +FL1CAAGS0008 Chalconaringenin 2',4'-di-O-glucoside;4,2',4',6'-Tetrahydroxychalcone 2',4'-di-O-glucoside C27H32O15 596.17412 6198-23-8 knapsack NA NA +FL2F1CGS0001 Butrin C27H32O15 596.17412 492-13-7 knapsack NA NA +FL2FA8GS0002 5,7,2',5'-Tetrahydroxyflavanone 7-O-rutinoside C27H32O15 596.17412 - knapsack NA NA +FL2FAACS0003 6,8-Di-C-glucopyranosylnaringenin C27H32O15 596.17412 81426-09-7 knapsack NA NA +FL2FAAGS0014 Naringenin 5,7-di-O-glucoside C27H32O15 596.17412 5180-65-4 knapsack NA NA +FL2FAAGS0016 5,7,4'-Trihydroxyflavanone 7-O-galactosylglucoside C27H32O15 596.17412 81244-23-7 knapsack NA NA +FL2FACGS0001 Neoeriocitrin C27H32O15 596.17412 13241-32-2 knapsack NA NA +FL2FACGS0008 Eriocitrin C27H32O15 596.17412 13463-28-0 knapsack NA NA +FL2FADGS0001 Viscumneoside III C27H32O15 596.17412 118985-27-6 knapsack NA NA +FL2FCDGS0001 Viscumneoside I C27H32O15 596.17412 108886-01-7 knapsack NA NA +FL4DA9GS0001 Pinobanksin 5-galactosyl-(1->4)-glucoside C27H32O15 596.17412 91925-95-0 knapsack NA NA +FL4DAAGS0010 Aromadendrin 3-rhamnoside-5-glucoside C27H32O15 596.17412 135545-93-6 knapsack NA NA +FL4DAAGS0011 Aromadendrin 7-rhamnosyl-(1->4)-galactoside C27H32O15 596.17412 151749-25-6 knapsack NA NA +FL4DACGS0025 Taxifolin 3,5-dirhamnoside C27H32O15 596.17412 74545-40-7 knapsack NA NA +FL4DACGS0031 Taxifolin 3,7-dirhamnoside C27H32O15 596.17412 185145-43-1 knapsack NA NA +HMDB05811 Eriocitrin C27H32O15 596.17413 http://www.hmdb.ca/metabolites/HMDB05811 HMDB NA NA +HMDB05811 Eriocitrin C27H32O15 596.17413 HMDB05811 PFEM_hmdb_metabocards_official NA NA +HMDB05811 Eriocitrin C27H32O15 596.174133 NA HMDB2010 NA NA +PJ007637 GSSCDE C20H32N6O13S 596.1748 NA PeJP NA NA +PJ007638 GSPCCM C21H36N6O8S3 596.1757 NA PeJP NA NA +PJ007639 CCWW C28H32N6O5S2 596.1876 NA PeJP NA NA +MJ084489 Fridamycin D C31H32O12 596.189376 NA MeJP NA NA +MJ084490 Saquayamycin A; 3-O-Deglycosyl C31H32O12 596.189376 NA MeJP NA NA +MJ084491 Saquayamycin B; 3-O-Deglycosyl C31H32O12 596.189376 NA MeJP NA NA +PJ007640 SSCDW C24H32N6O10S 596.1901 NA PeJP NA NA +PJ007641 SSSSDD C20H32N6O15 596.1926 NA PeJP NA NA +PJ007642 SNDMM C21H36N6O10S2 596.1935 NA PeJP NA NA +MJ084492 AH13; 7-Methoxy C35H32O9 596.204632 NA MeJP NA NA +PJ007643 SCCER C20H36N8O9S2 596.2047 NA PeJP NA NA +PJ007644 GNDEY C24H32N6O12 596.2078 NA PeJP NA NA +MJ084493 Nikkomycin Qx C24H32N6O12 596.20782 NA MeJP NA NA +MJ084494 Nikkomycin Qz C24H32N6O12 596.20782 NA MeJP NA NA +PJ007645 GGGDEY C24H32N6O12 596.2079 NA PeJP NA NA +PJ007646 GTCMW C25H36N6O7S2 596.2087 NA PeJP NA NA +MJ084495 8-Hydroxysyringaresinol; 8-O-?-D-Glucopyranoside C28H36O14 596.210505 NA MeJP NA NA +MJ084496 Ciwujiatone; 4-O-?-D-Glucopyranoside C28H36O14 596.210505 NA MeJP NA NA +PJ007647 GSSSEM C21H36N6O12S 596.2112 NA PeJP NA NA +PJ007648 GQMMM C22H40N6O7S3 596.2121 NA PeJP NA NA +PJ007649 SCNHH C22H32N10O8S 596.2126 NA PeJP NA NA +MJ084497 Cannabisin B C34H32N2O8 596.215866 NA MeJP NA NA +PJ007650 PNDDH C23H32N8O11 596.2191 NA PeJP NA NA +PJ007651 NDYW C28H32N6O9 596.2231 NA PeJP NA NA +PJ007652 GCMMR C21H40N8O6S3 596.2233 NA PeJP NA NA +MJ084498 3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5,5'-Tetra-Me ether, 9-O-(4-hydroxy-3-methoxycinnamoyl)(E-) C32H36O11 596.225761 NA MeJP NA NA +MJ084499 Cardinalin 11; 5-Ketone C32H36O11 596.225761 NA MeJP NA NA +MJ084500 Deacylkadsulignan C; 7,7'-Diangeloyl C32H36O11 596.225761 NA MeJP NA NA +MJ084501 Deacylkadsulignan E; 7,7'-Diangeloyl C32H36O11 596.225761 NA MeJP NA NA +MJ084502 Hirtin C32H36O11 596.225761 NA MeJP NA NA +PJ007653 SSSMW C25H36N6O9S 596.2265 NA PeJP NA NA +PJ007654 SSSSTE C21H36N6O14 596.229 NA PeJP NA NA +PJ007655 STQMM C22H40N6O9S2 596.2298 NA PeJP NA NA +MJ084503 Renieramycin A; 1?-Hydroxy, Me ether C31H36N2O10 596.236995 NA MeJP NA NA +PJ007656 GCDFR C24H36N8O8S 596.2377 NA PeJP NA NA +MJ084504 6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 13?,14?-Epoxide, 2,12-dibutanoyl, 9-Ac C30H41ClO10 596.238825 NA MeJP NA NA +MJ084505 Dependensin C36H36O8 596.241018 NA MeJP NA NA +MJ084506 Magnolignan G C36H36O8 596.241018 NA MeJP NA NA +MJ084507 ?-Diceroptene C36H36O8 596.241018 NA MeJP NA NA +PJ007657 STCMR C21H40N8O8S2 596.2411 NA PeJP NA NA +HMDB05775 Tetragastrin C29H36N6O6S 596.241699 NA HMDB2010 NA NA +HMDB05775 Tetragastrin C29H36N6O6S 596.2417 http://www.hmdb.ca/metabolites/HMDB05775 HMDB NA NA +PJ007658 NMFW C29H36N6O6S 596.2417 NA PeJP NA NA +HMDB05775 Tetragastrin C29H36N6O6S 596.2417 HMDB05775 PFEM_hmdb_metabocards_official NA NA +MJ084508 Tetragastrin C29H36N6O6S 596.241703 NA MeJP NA NA +MJ084509 Tryptophanylmethionylaspartylphenylalanine amide C29H36N6O6S 596.241703 NA MeJP NA NA +PJ007659 GTQEY C25H36N6O11 596.2442 NA PeJP NA NA +PJ007660 PCCKF C26H40N6O6S2 596.2451 NA PeJP NA NA +PJ007661 GSTTTM C22H40N6O11S 596.2476 NA PeJP NA NA +PJ007662 GKMMM C23H44N6O6S3 596.2485 NA PeJP NA NA +PJ007663 GSDRY C24H36N8O10 596.2555 NA PeJP NA NA +PJ007664 TQYW C29H36N6O8 596.2595 NA PeJP NA NA +MJ084510 17,18-Epoxy-1(19),6,10(17),13-xenicatetraene-8,9,11,12,18-pentol; 12-Benzoyl, 8,11,18-tri-Ac C33H40O10 596.262147 NA MeJP NA NA +MJ084511 18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 6-(4-Hydroxybenzoyl), 2,18,19-tri-Ac C33H40O10 596.262147 NA MeJP NA NA +MJ084512 Ingol; 2-Epimer, 7-benzoyl, 3,8,12-tri-Ac C33H40O10 596.262147 NA MeJP NA NA +MJ084513 Ingol; 2-Epimer, 8-benzoyl, 3,7,12-tri-Ac C33H40O10 596.262147 NA MeJP NA NA +MJ084514 Ingol; 8-Benzoyl, 3,7,12-tri-Ac C33H40O10 596.262147 NA MeJP NA NA +PJ007665 ACLQY C26H40N6O8S 596.2628 NA PeJP NA NA +PJ007666 GVQMY C26H40N6O8S 596.2629 NA PeJP NA NA +PJ007667 SSTTTT C22H40N6O13 596.2653 NA PeJP NA NA +PJ007668 STKMM C23H44N6O8S2 596.2662 NA PeJP NA NA +PJ007669 GQQQH C23H36N10O9 596.2667 NA PeJP NA NA +MJ084515 Cholestane-2,3,21,26-tetrol, 3,21-Disulfate C27H48O10S2 596.268889 NA MeJP NA NA +MJ084516 Cholestane-3,4,11,21-tetrol, 3,21-Disulfate C27H48O10S2 596.268889 NA MeJP NA NA +PJ007670 GPTHW C28H36N8O7 596.2707 NA PeJP NA NA +PJ007671 QMRY C25H40N8O7S 596.2741 NA PeJP NA NA +PJ007672 HFFF C33H36N6O5 596.2747 NA PeJP NA NA +PJ007673 GNNHR C22H36N12O8 596.2779 NA PeJP NA NA +PJ007674 GGGGGHR C22H36N12O8 596.278 NA PeJP NA NA +7672 ACE inhibitor from b-CN (49-59), mouse SSIQSQPQAFT 596.279 MH2+ Inhouse_peptide NA peptide +PJ007675 GTKEY C26H40N6O10 596.2806 NA PeJP NA NA +MJ084517 11-Taxene-2,5,7,9,10,13,20-heptol, 5,7,9,10,13-Penta-Ac C30H44O12 596.283276 NA MeJP NA NA +MJ084518 Sarmentosigenin A acid; 3-O-?-L-Rhamnoside, Me ester C30H44O12 596.283276 NA MeJP NA NA +MJ084519 Sarmentosigenin A acid; 3-O-?-L-Talomethyloside, Me ester C30H44O12 596.283276 NA MeJP NA NA +PJ007676 CRRY C24H40N10O6S 596.2853 NA PeJP NA NA +C05177 Berbamunine C36H40N2O6 596.2886 NA KEGG NA NA +C06511 Guattegaumerine C36H40N2O6 596.2886 NA KEGG NA NA +C06515 Magnoline C36H40N2O6 596.2886 NA KEGG NA NA +MJ084520 Berbamunine C36H40N2O6 596.288637 NA MeJP NA NA +MJ084521 Guattegaumerine C36H40N2O6 596.288637 NA MeJP NA NA +MJ084522 Berbamunine C36H40N2O6 596.288637 NA MeJP NA NA +MJ084523 Daurisoline; N2'-De-Me C36H40N2O6 596.288637 NA MeJP NA NA +MJ084524 Daurisoline; O6,O6''-Di-O-de-Me, O7-Me C36H40N2O6 596.288637 NA MeJP NA NA +MJ084525 Espinine C36H40N2O6 596.288637 NA MeJP NA NA +MJ084526 Lindoldhamine; N,N'-Di-Me C36H40N2O6 596.288637 NA MeJP NA NA +MJ084527 Neosutchuenenine C36H40N2O6 596.288637 NA MeJP NA NA +MJ084528 Pipercyclobutanamide B C36H40N2O6 596.288637 NA MeJP NA NA +MJ084529 Pisopowiaridine; 2'-N-De-Me C36H40N2O6 596.288637 NA MeJP NA NA +MJ084530 Sutchueneneonine C36H40N2O6 596.288637 NA MeJP NA NA +MJ084531 Sutchuenenine C36H40N2O6 596.288637 NA MeJP NA NA +MetaCyc03947 berbamunine [(1S)-1,2,3,4-tetrahydro-1-[ [4-[2-hydroxy-5-[ [ (1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl ]methyl ]phenoxy ]phenyl ]methyl ]-6-methoxy-2-methyl-7-isoquinolinol;] C36H40N2O6 596.288637 485-18-7 metacyc NA NA +PJ007677 GTTRY C25H40N8O9 596.2918 NA PeJP NA NA +PJ007678 SPKEH C25H40N8O9 596.2919 NA PeJP NA NA +PJ007679 TKYW C30H40N6O7 596.2959 NA PeJP NA NA +MJ084532 Lysofungin C27H49O12P 596.296163 NA MeJP NA NA +C08780 Salannin C34H44O9 596.2985 NA KEGG NA NA +MJ084533 Neobonaspectin A; Deacetoxy C34H44O9 596.298533 NA MeJP NA NA +MJ084534 Salannic acid; 1-O-Tigloyl, 3-Ac, Me ester C34H44O9 596.298533 NA MeJP NA NA +PJ007680 GVKMY C27H44N6O7S 596.2992 NA PeJP NA NA +PJ007681 GPPPVM C27H44N6O7S 596.2993 NA PeJP NA NA +PJ007682 GVEHR C24H40N10O8 596.3031 NA PeJP NA NA +PJ007683 AALHW C29H40N8O6 596.3071 NA PeJP NA NA +PJ007684 KMRY C26H44N8O6S 596.3105 NA PeJP NA NA +PJ007685 EHRR C23H40N12O7 596.3143 NA PeJP NA NA +PJ007686 SSLKY C27H44N6O9 596.317 NA PeJP NA NA +PJ007687 VHRW C28H40N10O5 596.3183 NA PeJP NA NA +MJ084535 15,16-Epoxy-8,13(16),14-labdatrien-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside] C31H48O11 596.319662 NA MeJP NA NA +3483 ACE inhibitors derived from yeast GADPH GKKIATYQER 596.3205 MH2+ Inhouse_peptide NA peptide +PJ007688 PPVER C26H44N8O8 596.3282 NA PeJP NA NA +PJ007689 GGAAPPK C26H44N8O8 596.3283 NA PeJP NA NA +PJ007690 PPVVW C31H44N6O6 596.3323 NA PeJP NA NA +3503 ACE inhibitor (bCN fr,80-90) TPVVVPPFLQP 596.33445 MH2+ Inhouse_peptide NA peptide +MJ084536 7-Labdene-2,15-diol, 2-Ac, 15-O-(3,4-diacetoxycinnamoyl) C35H48O8 596.334918 NA MeJP NA NA +MJ084537 4,4-Dimethylergosta-8,24(28)-diene-2,3,11,12-tetrol, 12-Ac, 3-sulfate C32H52O8S 596.338289 NA MeJP NA NA +PJ007691 ATLHR C25H44N10O7 596.3395 NA PeJP NA NA +MJ084538 Bdelloura candida Neuropeptide 2 C30H44N8O5 596.343466 NA MeJP NA NA +PJ007692 KFFR C30H44N8O5 596.3435 NA PeJP NA NA +MJ084539 Talatizamine; O18-De-Me, O8-Et, 18-O-(2-acetamidobenzoyl) C34H48N2O7 596.346151 NA MeJP NA NA +MJ084540 Trienomycin; Trienomycin B C34H48N2O7 596.346151 NA MeJP NA NA +MJ084541 Trienomycin; Trienomycin C C34H48N2O7 596.346151 NA MeJP NA NA +C09144 C-Curarine C40H44N4O 596.3515 NA KEGG NA NA +PJ007693 GPPTLL C28H48N6O8 596.3534 NA PeJP NA NA +MJ084542 2-Methyl-2-(polyprenylmethyl)-2H-1-benzopyran-6-ol; 2-Methyl-2-(pentaprenylmethyl)-2H-1-benzopyran-6-ol, Sulfate C36H52O5S 596.353545 NA MeJP NA NA +MJ084543 2,3,14,20,22-Pentahydroxycholest-7-en-6-one, 3-O-?-D-Xylopyranoside C32H52O10 596.356047 NA MeJP NA NA +MJ084544 Fusicoccin D C32H52O10 596.356047 NA MeJP NA NA +MJ084545 Norchainin C32H52O10 596.356047 NA MeJP NA NA +MJ084546 Spirostane-1,2,3,4-tetrol, 1-O-?-L-Arabinopyranoside C32H52O10 596.356047 NA MeJP NA NA +MJ084547 Spirostane-1,3,4,5-tetrol, 5-O-?-L-Arabinopyranoside C32H52O10 596.356047 NA MeJP NA NA +CJpos0825 L-urobilinogen [(M+H)]+ C33H49N4O6 596.356875 C18rt(min)=9.4 Pos putatively identified a,b banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +CJpos0825 L-urobilinogen [(M+H)]+ C33H49N4O6 596.356875 C18rt(min)=9.4 Pos putatively identified a,b base_CJunot_PubAnalChem2012_POS positive NA +HMDB04157 L-Urobilinogen C33H48N4O6 596.35736 http://www.hmdb.ca/metabolites/HMDB04157 HMDB NA NA +HMDB04157 L-Urobilinogen C33H48N4O6 596.35736 HMDB04157 PFEM_hmdb_metabocards_official NA NA +HMDB04157 L-Urobilinogen C33H48N4O6 596.357361 NA HMDB2010 NA NA +C05789 L-Urobilinogen C33H48N4O6 596.3574 NA KEGG NA NA +CJneg0649 L-urobilinogen [(M-H)]- C33H47N4O6 596.357925 C18rt(min)=9.4 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0649 L-urobilinogen [(M-H)]- C33H47N4O6 596.357925 C18rt(min)=9.4 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +PJ007694 SLLKH C27H48N8O7 596.3646 NA PeJP NA NA +HMDB01477 L-Phosphatidic acid C29H57O10P 596.36896 http://www.hmdb.ca/metabolites/HMDB01477 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01477 L-Phosphatidic acid C29H57O10P 596.36896 http://www.hmdb.ca/metabolites/HMDB01477 HMDB NA NA +HMDB01477 L-Phosphatidic acid C29H57O10P 596.36896 http://www.hmdb.ca/metabolites/HMDB01477 PFEM_hmdb_metabocards_blood NA blood +HMDB01477 L-Phosphatidic acid C29H57O10P 596.36896 HMDB01477 PFEM_hmdb_metabocards_official NA NA +MJ084548 Deacylantibiotic NF 00659 A; 3-(6-Methyl-2,4-octadienoyl)(E,E) C36H52O7 596.371304 NA MeJP NA NA +PJ007695 GKKKH C26H48N10O6 596.3759 NA PeJP NA NA +MJ084549 Fusarochromanone; 3'-N-Ac, 4'-O-(10,12-octadecadienoyl) C35H52N2O6 596.382537 NA MeJP NA NA +HMDB02204 Astaxanthin C40H52O4 596.386536 NA HMDB2010 NA NA +HMDB02204 Astaxanthin C40H52O4 596.38654 http://www.hmdb.ca/metabolites/HMDB02204 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02204 Astaxanthin C40H52O4 596.38654 http://www.hmdb.ca/metabolites/HMDB02204 HMDB NA NA +HMDB02204 Astaxanthin C40H52O4 596.38654 http://www.hmdb.ca/metabolites/HMDB02204 PFEM_hmdb_metabocards_blood NA blood +HMDB02204 Astaxanthin C40H52O4 596.38654 HMDB02204 PFEM_hmdb_metabocards_official NA NA +MJ084550 2,3-Dihydroxy-?,?-carotene-4,4'-dione C40H52O4 596.38656 NA MeJP NA NA +MJ084551 7',8'-Didehydro-3,3',4'-trihydroxy-?,?-caroten-4-one C40H52O4 596.38656 NA MeJP NA NA +MJ084552 Amarouciaxanthin B C40H52O4 596.38656 NA MeJP NA NA +MJ084553 Astaxanthin C40H52O4 596.38656 NA MeJP NA NA +MJ084554 Capsorubin; Diketone C40H52O4 596.38656 NA MeJP NA NA +MJ084555 Mytiloxanthin; 3'-Ketone C40H52O4 596.38656 NA MeJP NA NA +MJ084556 Phillipsiaxanthin C40H52O4 596.38656 NA MeJP NA NA +MJ084557 Uriolide; 3'-Deoxy, 3',4'-didehydro C40H52O4 596.38656 NA MeJP NA NA +C08580 Astaxanthin C40H52O4 596.3866 NA KEGG NA NA +PJ007696 AAPLLL C29H52N6O7 596.3898 NA PeJP NA NA +MJ084558 Furostane-3,22,26-triol, 26-O-?-D-Glucopyranoside C33H56O9 596.392433 NA MeJP NA NA +MJ084559 Khafrefungin C33H56O9 596.392433 NA MeJP NA NA +PJ007697 PVLLR C28H52N8O6 596.401 NA PeJP NA NA +MJ084560 Prednisone; 21-Hexadecanoyl C37H56O6 596.407689 NA MeJP NA NA +MJ084561 Stigmast-5-ene-3,7,15-triol, 3-(4-Hydroxy-3-methoxybenzoyl) C37H56O6 596.407689 NA MeJP NA NA +MJ084562 Fawcettiine, 8-Epimer, Ac, 1:1 complex with Lycopodine CDK25-X C36H56N2O5 596.418922 NA MeJP NA NA +MJ084563 3',4'-Didehydro-1',2'-dihydro-3-hydroxy-1'-methoxy-?,?-caroten-19'-al C41H56O3 596.422945 NA MeJP NA NA +MJ084564 Antibiotic X 14873G C34H60O8 596.428818 NA MeJP NA NA +MJ084565 Sorangiolide A; 6-Hydroxy C34H60O8 596.428818 NA MeJP NA NA +MJ084566 Bengamide Z; 6-Deoxy, N-de-Me, 5'-O-hexadecanoyl C33H60N2O7 596.440052 NA MeJP NA NA +C15881 Spirilloxanthin C42H60O2 596.4593 NA KEGG NA NA +MJ084567 Bacteriopurpurin; Me ether C42H60O2 596.459331 NA MeJP NA NA +MJ084568 Lutein; Di-Me ether C42H60O2 596.459331 NA MeJP NA NA +MJ084569 Annomolin C35H64O7 596.465204 NA MeJP NA NA +MJ084570 Annonacin C35H64O7 596.465204 NA MeJP NA NA +MJ084571 Annoreticuin C35H64O7 596.465204 NA MeJP NA NA +MJ084572 Asitrilobin B C35H64O7 596.465204 NA MeJP NA NA +MJ084573 Asitrocinone C35H64O7 596.465204 NA MeJP NA NA +MJ084574 Donnaienin A C35H64O7 596.465204 NA MeJP NA NA +MJ084575 Gigantetrocin A C35H64O7 596.465204 NA MeJP NA NA +MJ084576 Gigantetrocinone C35H64O7 596.465204 NA MeJP NA NA +MJ084577 Glacin A C35H64O7 596.465204 NA MeJP NA NA +MJ084578 Glacin B C35H64O7 596.465204 NA MeJP NA NA +MJ084579 Glaucafilin C35H64O7 596.465204 NA MeJP NA NA +MJ084580 Goniothalamicin C35H64O7 596.465204 NA MeJP NA NA +MJ084581 Isoannonacin A C35H64O7 596.465204 NA MeJP NA NA +MJ084582 Isoannoreticuin C35H64O7 596.465204 NA MeJP NA NA +MJ084583 Itrabin C35H64O7 596.465204 NA MeJP NA NA +MJ084584 Javoricin C35H64O7 596.465204 NA MeJP NA NA +MJ084585 Muricatetrocin A C35H64O7 596.465204 NA MeJP NA NA +MJ084586 Plagionicin A C35H64O7 596.465204 NA MeJP NA NA +MJ084587 Pyragonicin C35H64O7 596.465204 NA MeJP NA NA +MJ084588 Pyranicin C35H64O7 596.465204 NA MeJP NA NA +MJ084589 Rolliacocin C35H64O7 596.465204 NA MeJP NA NA +MJ084590 Squamoxinone C C35H64O7 596.465204 NA MeJP NA NA +MJ084591 Xylopianin C35H64O7 596.465204 NA MeJP NA NA +MJ084592 Minalemines; Minalemine A C29H60N10O3 596.484985 NA MeJP NA NA +MJ084593 12-Oleanene-3,28-diol, 3-Decanoyl C40H68O3 596.516846 NA MeJP NA NA +HMDB05201 DG(16:0/18:0/0:0)[iso2] C37H72O5 596.53796 http://www.hmdb.ca/metabolites/HMDB05201 HMDB NA NA +HMDB05209 DG(18:0/16:0/0:0) C37H72O5 596.53796 http://www.hmdb.ca/metabolites/HMDB05209 HMDB NA NA +HMDB05201 DG(16:0/18:0/0:0)[iso2] C37H72O5 596.53796 HMDB05201 PFEM_hmdb_metabocards_official NA NA +HMDB05209 DG(18:0/16:0/0:0) C37H72O5 596.53796 HMDB05209 PFEM_hmdb_metabocards_official NA NA +HMDB07020 DG(14:0/20:0/0:0) C37H72O5 596.537964 NA HMDB2010 NA NA +HMDB07100 DG(16:0/18:0/0:0) C37H72O5 596.537964 NA HMDB2010 NA NA +HMDB07156 DG(18:0/16:0/0:0) C37H72O5 596.537964 NA HMDB2010 NA NA +HMDB07356 DG(20:0/14:0/0:0) C37H72O5 596.537964 NA HMDB2010 NA NA +HMDB06725 Cholestryl myristic acid C41H72O2 596.55322 http://www.hmdb.ca/metabolites/HMDB06725 HMDB NA NA +HMDB06725 Cholestryl myristic acid C41H72O2 596.55322 HMDB06725 PFEM_hmdb_metabocards_official NA NA +HMDB06725 CE(14:0) C41H72O2 596.553223 NA HMDB2010 NA NA +MJ084594 Lysolipin I C29H24ClNO11 597.103788 NA MeJP NA NA +PJ007698 CDDDM C20H31N5O12S2 597.1411 NA PeJP NA NA +FL7AAGGA0002 Delphinidin 3-lathyroside C26H29O16 597.14555 57029-72-8 knapsack NA NA +FL7AAGGL0003 Delphinidin 3-sambubioside C26H29O16 597.14555 53158-73-9 knapsack NA NA +PJ007699 GSCCND C19H31N7O11S2 597.1523 NA PeJP NA NA +PJ007700 CCNQM C20H35N7O8S3 597.1709 NA PeJP NA NA +PJ007701 GGCCQM C20H35N7O8S3 597.171 NA PeJP NA NA +MJ084595 Cyclothialidines; Cyclothialidine D C24H31N5O11S 597.174077 NA MeJP NA NA +PJ007702 SDDMM C21H35N5O11S2 597.1775 NA PeJP NA NA +PJ007703 CCCNR C19H35N9O7S3 597.1822 NA PeJP NA NA +MJ084596 Cronidipine C30H32ClN3O8 597.187792 NA MeJP NA NA +PJ007704 GSSCNM C20H35N7O10S2 597.1887 NA PeJP NA NA +PJ007705 GDDEY C24H31N5O13 597.1919 NA PeJP NA NA +PJ007706 PCCEF C25H35N5O8S2 597.1927 NA PeJP NA NA +PJ007707 GEMMM C22H39N5O8S3 597.1961 NA PeJP NA NA +PJ007708 SCDHH C22H31N9O9S 597.1966 NA PeJP NA NA +PJ007709 PDDDH C23H31N7O12 597.2031 NA PeJP NA NA +MJ084597 Perphenazine; 3,4,5-Trimethoxybenzoyl C31H36ClN3O5S 597.206419 NA MeJP NA NA +PJ007710 SSSSCQ C20H35N7O12S 597.2065 NA PeJP NA NA +PJ007711 DDYW C28H31N5O10 597.2071 NA PeJP NA NA +PJ007712 CCNKM C21H39N7O7S3 597.2073 NA PeJP NA NA +PJ007713 SPCEY C25H35N5O10S 597.2105 NA PeJP NA NA +PJ007714 MMMW C26H39N5O5S3 597.2114 NA PeJP NA NA +PJ007715 STEMM C22H39N5O10S2 597.2139 NA PeJP NA NA +PJ007716 ACMHH C23H35N9O6S2 597.2152 NA PeJP NA NA +MJ084598 8-(4-Hydroxybenzyl)-3-methoxy-2,9,10-berbintriol; O-?-Glucopyranoside, N-oxide C31H35NO11 597.22101 NA MeJP NA NA +MJ084599 Sulfurmycin C; 4'-O-Deglycosyl C31H35NO11 597.22101 NA MeJP NA NA +PJ007717 GNNMY C24H35N7O9S 597.2217 NA PeJP NA NA +PJ007718 GSSSSSS C20H35N7O14 597.2242 NA PeJP NA NA +PJ007719 GSTCCK C21H39N7O9S2 597.2251 NA PeJP NA NA +PJ007720 DMFW C29H35N5O7S 597.2257 NA PeJP NA NA +PJ007721 GTEEY C25H35N5O12 597.2282 NA PeJP NA NA +PJ007722 GPMMY C26H39N5O7S2 597.2291 NA PeJP NA NA +PJ007723 SVMMM C23H43N5O7S3 597.2325 NA PeJP NA NA +PJ007724 SSMHH C23H35N9O8S 597.233 NA PeJP NA NA +PJ007725 SSNQY C24H35N7O11 597.2395 NA PeJP NA NA +PJ007726 SSSSCK C21H39N7O11S 597.2428 NA PeJP NA NA +PJ007727 TEYW C29H35N5O9 597.2435 NA PeJP NA NA +PJ007728 GVEMY C26H39N5O9S 597.2469 NA PeJP NA NA +PJ007729 GQQEH C23H35N9O10 597.2507 NA PeJP NA NA +PJ007730 GNNFF C28H35N7O8 597.2547 NA PeJP NA NA +PJ007731 GGGGGFF C28H35N7O8 597.2548 NA PeJP NA NA +MJ084600 Ingol; 8-(3-Pyridinecarbonyl), 3,7,12-tri-Ac C32H39NO10 597.257396 NA MeJP NA NA +MJ084601 Ipalbidine, O-[4--Hydroxy-3,5-dimethoxycinnamoyl-(?6)-?-D-glucopyranoside] C32H39NO10 597.257396 NA MeJP NA NA +MJ084602 Trideacetylpyripyropene A; 19-Propanoyl, 3,7-di-Ac C32H39NO10 597.257396 NA MeJP NA NA +MJ084603 Trideacetylpyripyropene A; 3-Propanoyl, 7,19-di-Ac C32H39NO10 597.257396 NA MeJP NA NA +MJ084604 Trideacetylpyripyropene A; 7-Propanoyl, 3,19-di-Ac C32H39NO10 597.257396 NA MeJP NA NA +PJ007732 EMRY C25H39N7O8S 597.2581 NA PeJP NA NA +MJ084605 Ergotamine; 8-Hydroxy C33H35N5O6 597.258733 NA MeJP NA NA +MJ084606 Hydroxystreptomycin C21H39N7O13 597.260584 NA MeJP NA NA +C17571 5'-Hydroxystreptomycin C21H39N7O13 597.2606 NA KEGG NA NA +PJ007733 GNDHR C22H35N11O9 597.262 NA PeJP NA NA +PJ007734 VMYW C30H39N5O6S 597.2621 NA PeJP NA NA +PJ007735 SSLEY C26H39N5O11 597.2646 NA PeJP NA NA +PJ007736 GLMMF C27H43N5O6S2 597.2655 NA PeJP NA NA +PJ007737 QQHW C27H35N9O7 597.266 NA PeJP NA NA +PJ007738 PCNKH C24H39N9O7S 597.2693 NA PeJP NA NA +PJ007739 GGPCKH C24H39N9O7S 597.2694 NA PeJP NA NA +PJ007740 SSNKY C25H39N7O10 597.2759 NA PeJP NA NA +PJ007741 APHHH C26H35N11O6 597.2772 NA PeJP NA NA +3534 ACE inhibitor YPRY 597.279 ACE inhibitor Inhouse_peptide NA peptide +3794 NA RYYP 597.279 ACE inhibitor Inhouse_peptide NA peptide +7679 ACE inhibitor from bonito bowels YRPY 597.279 antioxidative Inhouse_peptide NA peptide +MJ084607 Rubellidin 1.1 C30H39N5O8 597.279863 NA MeJP NA NA +PJ007742 GPVYY C30H39N5O8 597.2799 NA PeJP NA NA +PJ007743 ATLMY C27H43N5O8S 597.2832 NA PeJP NA NA +PJ007744 SVVMY C27H43N5O8S 597.2833 NA PeJP NA NA +PJ007745 PPNDR C24H39N9O9 597.2871 NA PeJP NA NA +PJ007746 APPQW C29H39N7O7 597.2911 NA PeJP NA NA +MJ084608 Dictyocarpinine; 14-O-Benzoyl, 6-Ac C33H43NO9 597.293781 NA MeJP NA NA +PJ007747 GCKKY C26H43N7O7S 597.2945 NA PeJP NA NA +PJ007748 VFFW C34H39N5O5 597.2951 NA PeJP NA NA +PJ007749 GTQHR C23H39N11O8 597.2983 NA PeJP NA NA +PJ007750 TTTLY C27H43N5O10 597.301 NA PeJP NA NA +2570 VV-hemorphin-7 VVYPWTQRF 597.302 MH2+ Inhouse_peptide NA peptide +PJ007751 QKHW C28H39N9O6 597.3023 NA PeJP NA NA +PJ007752 GAKHW C28H39N9O6 597.3024 NA PeJP NA NA +PJ007753 SLLEH C26H43N7O9 597.3122 NA PeJP NA NA +PJ007754 GAPPKE C26H43N7O9 597.3123 NA PeJP NA NA +PJ007755 GVLFY C31H43N5O7 597.3163 NA PeJP NA NA +MJ084609 Afrocurarine C39H42N4O2(+) 597.322951 NA MeJP NA NA +PJ007756 PPTQR C25H43N9O8 597.3235 NA PeJP NA NA +MJ084610 SP-Chymostatin B; 1-Alcohol C30H43N7O6 597.327482 NA MeJP NA NA +MJ084611 Tyrosylarginylisoleucinamide; L-L-L-form, N1-(2-Hydroxy-3-phenylpropanoyl)(S-) C30H43N7O6 597.327482 NA MeJP NA NA +PJ007757 APPKW C30H43N7O6 597.3275 NA PeJP NA NA +MJ084612 Chasmanine; 1-Epimer, 14-benzoyl, 8-Ac C34H47NO8 597.330167 NA MeJP NA NA +MJ084613 Chasmanine; 14-O-Benzoyl, 8-Ac C34H47NO8 597.330167 NA MeJP NA NA +MJ084614 Chasmanine; 8-O-Benzoyl, 14-Ac C34H47NO8 597.330167 NA MeJP NA NA +MJ084615 Delphiperegrine C34H47NO8 597.330167 NA MeJP NA NA +MJ084616 Talatizamine; O1-De-Me, 14-O-(3,4-dimethoxycinnamoyl) C34H47NO8 597.330167 NA MeJP NA NA +MJ084617 Talatizamine; O8-(4-Methoxybenzoyl), O14-Ac C34H47NO8 597.330167 NA MeJP NA NA +MJ084618 Taxine B; 13?-Alcohol, 1-deoxy, N-de-Me, 13-Ac C34H47NO8 597.330167 NA MeJP NA NA +PJ007758 VVLMH C27H47N7O6S 597.3309 NA PeJP NA NA +PJ007759 GTKHR C24H43N11O7 597.3347 NA PeJP NA NA +PJ007760 KKHW C29H43N9O5 597.3387 NA PeJP NA NA +MJ084619 Yanucamide A C33H47N3O7 597.3414 NA MeJP NA NA +PJ007761 PPKKE C27H47N7O8 597.3486 NA PeJP NA NA +MJ084620 Cirramycin A1 C31H51NO10 597.351296 NA MeJP NA NA +MJ084621 Rosamicin; 20-Carboxylic acid C31H51NO10 597.351296 NA MeJP NA NA +MJ084622 Rosamicin; 23-Hydroxy C31H51NO10 597.351296 NA MeJP NA NA +MJ084623 Tylonolide; 5-O-(3,6-Dideoxy-3-dimethylamino-?-D-glucopyranoside) C31H51NO10 597.351296 NA MeJP NA NA +C12002 5-O-beta-D-Mycaminosyltylonolide C31H51NO10 597.3513 NA KEGG NA NA +C10016 Zizyphine F C32H47N5O6 597.3526 NA KEGG NA NA +MJ084624 Zizyphine A; N-De-Me C32H47N5O6 597.352634 NA MeJP NA NA +MJ084625 Zizyphine A; O-De-Me C32H47N5O6 597.352634 NA MeJP NA NA +PJ007762 PPTKR C26H47N9O7 597.3599 NA PeJP NA NA +CJneg0650 L-urobilinogen [(M-H)]- (13C) C3213CH47N4O6 597.361325 C18rt(min)=9.4 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0650 L-urobilinogen [(M-H)]- (13C) C3213CH47N4O6 597.361325 C18rt(min)=9.4 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ084626 Amphilactam A C35H51NO7 597.366552 NA MeJP NA NA +PJ007763 GPLRR C25H47N11O6 597.3711 NA PeJP NA NA +EUR780 Lyso PC 22:2 [M+Na]+ C30H58NO7P 597.377038 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR780 Lyso PC 22:2 [M+Na]+ C30H58NO7P 597.377038 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR780 Lyso PC 22:2 [M+Na]+ C30H58NO7P 597.377038 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR780 Lyso PC 22:2 [M+Na]+ C30H58NO7P 597.377038 masses lipides attendues Inhousejuil11 NA NA +PJ007764 PLLQK C28H51N7O7 597.385 NA PeJP NA NA +MJ084627 Mauritine D C33H51N5O5 597.389019 NA MeJP NA NA +PJ007765 PVVKR C27H51N9O6 597.3963 NA PeJP NA NA +EUR742 Lyso PC 20:0 [M+FA-H]- C28H58NO7P 597.399972 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR742 Lyso PC 20:0 [M+FA-H]- C28H58NO7P 597.399972 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR742 Lyso PC 20:0 [M+FA-H]- C28H58NO7P 597.399972 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR742 Lyso PC 20:0 [M+FA-H]- C28H58NO7P 597.399972 masses lipides attendues Inhousejuil11 NA NA +EUR893 Lyso PE 22:0 [M-H+acetate]- C27H56NO7P 597.400542 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR893 Lyso PE 22:0 [M-H+acetate]- C27H56NO7P 597.400542 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR893 Lyso PE 22:0 [M-H+acetate]- C27H56NO7P 597.400542 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR893 Lyso PE 22:0 [M-H+acetate]- C27H56NO7P 597.400542 masses lipides attendues Inhousejuil11 NA NA +PJ007766 PLLKK C29H55N7O6 597.4214 NA PeJP NA NA +MJ084628 Didemniserinolipid A C33H59NO8 597.424067 NA MeJP NA NA +MJ084629 Tenuilobine C33H71N7O2 597.566924 NA MeJP NA NA +2748 activating kinases and phosphatases peptide EPFYENWPD 597.7339 MH2+ Inhouse_peptide NA peptide +C18093 Iopodic acid C12H13I3N2O2 597.8111 NA KEGG NA NA +MJ084630 Iopodic acid C12H13I3N2O2 597.811107 NA MeJP NA NA +MJ084631 Chartelline A; 17-Debromo C20H14Br3ClN4O 597.840626 NA MeJP NA NA +MJ084632 Sulfarsphenamine; Na salt C14H14As2N2Na2O8S2 597.841888 NA MeJP NA NA +MJ084633 Emestrin C27H22N2O10S2 598.071586 NA MeJP NA NA +MJ084634 1,1',6,6',8,8'-Hexahydroxy-3,3'-bis(2-oxopropyl)[2,2'-bi-9H-xanthene]-9,9'-dione C32H22O12 598.111126 NA MeJP NA NA +MJ084635 1,1',8,8'-Tetrahydroxy-3,3'-dimethoxy-6,6'-dimethyl-2,2'-bianthraquinone; 5,5'-Dihydroxy C32H22O12 598.111126 NA MeJP NA NA +MJ084636 4,4'-Bis[1,3,8-trihydroxy-6-methoxy-2-methylanthraquinone] C32H22O12 598.111126 NA MeJP NA NA +MJ084637 6,6'-Bierythroglaucin C32H22O12 598.111126 NA MeJP NA NA +MJ084638 Antibiotic SC 2051 C32H22O12 598.111126 NA MeJP NA NA +MJ084639 Crisamicin A C32H22O12 598.111126 NA MeJP NA NA +MJ084640 Fusaroskyrin C32H22O12 598.111126 NA MeJP NA NA +MJ084641 Mesuferrol A C32H22O12 598.111126 NA MeJP NA NA +MJ084642 Oryzachlorin C26H31ClN2O8S2 598.121035 NA MeJP NA NA +MJ084643 Yunnaneic acid F C29H26O14 598.132255 NA MeJP NA NA +PJ007767 GSCCDD C19H30N6O12S2 598.1363 NA PeJP NA NA +PJ007768 APCCCC C20H34N6O7S4 598.1372 NA PeJP NA NA +MJ084644 Dermocanarin 2 C33H26O11 598.147511 NA MeJP NA NA +MJ084645 Santarubin C C33H26O11 598.147511 NA MeJP NA NA +MJ084646 1,2,5,6,8-Pentahydroxyxanthone; 5,6-Di-Me ether, 2-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C26H30O16 598.153384 NA MeJP NA NA +MJ084647 1,3,5,8-Tetrahydroxyxanthone; 3-Me ether, 8-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C26H30O16 598.153384 NA MeJP NA NA +PJ007769 CCNEM C20H34N6O9S3 598.155 NA PeJP NA NA +PJ007770 CCCDR C19H34N8O8S3 598.1662 NA PeJP NA NA +MJ084648 Jacaranose C30H30O13 598.168641 NA MeJP NA NA +PJ007771 GCCMW C24H34N6O6S3 598.1702 NA PeJP NA NA +PJ007772 GSSCDM C20H34N6O11S2 598.1727 NA PeJP NA NA +MJ084649 10-Formyltetrahydrofolyl L-glutamate C25H26N8O10 598.177189 NA MeJP NA NA +MJ084650 6-Chloro-11,20-epoxy-2,8,9,12,14-pentahydroxy-3,5(16)-briaradien-18,7-olide; 2,9,12,14-Tetra-Ac C28H35ClO12 598.181704 NA MeJP NA NA +MJ084651 6-Chloro-11,20-epoxy-2,8,9,13,14-pentahydroxy-3,5(16)-briaradien-18,7-olide; 2,9,13,14-Tetra-Ac C28H35ClO12 598.181704 NA MeJP NA NA +MJ084652 6-Chloro-4,8-epoxy-2,3,9,14-tetrahydroxy-5(16),11(20)-briaradien-18,7-olide; 11?,20-Epoxide, tetra-Ac C28H35ClO12 598.181704 NA MeJP NA NA +MJ084653 2,2',3,3',4,4',7,7',9,9'-Decahydroxy-1,1'-biphenanthrene; 3,3',4,4',9,9'-Hexa-Me ether C34H30O10 598.183897 NA MeJP NA NA +MJ084654 2,2',3,4,5',6',7,7',9,10'-Decahydroxy-1,1'-biphenanthrene; 3,4,5',6',9,10'-Hexa-Me ether C34H30O10 598.183897 NA MeJP NA NA +MJ084655 3',4',4''',5,5'',7''-Hexahydroxy-8,3'''-biflavanone, 3',4',4''',7''-Tetra-Me ether C34H30O10 598.183897 NA MeJP NA NA +MJ084656 Antibiotic A 39183A C34H30O10 598.183897 NA MeJP NA NA +MJ084657 Antibiotic A 39183C C34H30O10 598.183897 NA MeJP NA NA +MJ084658 Crinemodin bianthrone; 1'',1'''-Dihydroxy C34H30O10 598.183897 NA MeJP NA NA +MJ084659 Hexaspermone C; 4'-Me ether C34H30O10 598.183897 NA MeJP NA NA +MJ084660 Hexaspermone C; 5-Me ether C34H30O10 598.183897 NA MeJP NA NA +MJ084661 Sophoraflavanone H; 4''-Hydroxy C34H30O10 598.183897 NA MeJP NA NA +MJ084662 Trianguletin C34H30O10 598.183897 NA MeJP NA NA +MJ084663 7-N-[2-[[2-(?-L-Glutamylamino)ethyl]dithio]ethyl]mitomycin C C24H34N6O8S2 598.187953 NA MeJP NA NA +PJ007773 STCCW C24H34N6O8S2 598.188 NA PeJP NA NA +MJ084664 1-(3,5-Diglucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone C27H34O15 598.18977 NA MeJP NA NA +MJ084665 2-Hydroxy-6-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzoic acid, 6-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester C27H34O15 598.18977 NA MeJP NA NA +MJ084666 2-Hydroxybenzyl 2,6-dihydroxybenzoate; 2-Me ether, 2',6-di-O-?-D-glucopyranoside C27H34O15 598.18977 NA MeJP NA NA +MJ084667 3,3',4',5,7-Pentahydroxyflavan, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H34O15 598.18977 NA MeJP NA NA +MJ084668 Eranthin; 4'-O-?-D-Gentiobioside C27H34O15 598.18977 NA MeJP NA NA +MJ084669 Geniposidic acid; Penta-Ac, Me ester C27H34O15 598.18977 NA MeJP NA NA +MJ084670 Lamiide; 7-(3-Hydroxy-4-methoxycinnamoyl)(E-) C27H34O15 598.18977 NA MeJP NA NA +MJ084671 Oleuropein; 10-Acetoxy C27H34O15 598.18977 NA MeJP NA NA +MJ084672 Semivioxanthin, 9-O-[?-D-Allopyranosyl-(1?6)-?-D-glucopyranoside] C27H34O15 598.18977 NA MeJP NA NA +MJ084673 Semivioxanthin, 9-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H34O15 598.18977 NA MeJP NA NA +FL1DAACS0002 Phloretin 3',5'-Di-C-glucoside C27H34O15 598.18977 357401-40-2 knapsack NA NA +FL63ACGS0008 Catechin 3-O-rutinoside C27H34O15 598.18977 155260-73-4 knapsack NA NA +C11639 Geniposide pentaacetate C27H34O15 598.1898 NA KEGG NA NA +PJ007774 SSSSCE C20H34N6O13S 598.1905 NA PeJP NA NA +PJ007775 SCQMM C21H38N6O8S3 598.1913 NA PeJP NA NA +PJ007776 GGTCMM C21H38N6O8S3 598.1914 NA PeJP NA NA +PJ007777 SCCMR C20H38N8O7S3 598.2026 NA PeJP NA NA +MJ084674 Landomycin A; 3B-Deglycosyl C31H34O12 598.205026 NA MeJP NA NA +MJ084675 Saquayamycin A; 3-O-Deglycosyl, 2'',3''-dihydro C31H34O12 598.205026 NA MeJP NA NA +PJ007778 GNDMY C24H34N6O10S 598.2057 NA PeJP NA NA +PJ007779 GSSSMM C21H38N6O10S2 598.2091 NA PeJP NA NA +PJ007780 PCNEH C23H34N8O9S 598.217 NA PeJP NA NA +MJ084676 Punaglandin 1; 12-Ac C29H39ClO11 598.218089 NA MeJP NA NA +FL1CBANC0001 Calyxin A C35H34O9 598.22028 164991-52-0 knapsack NA NA +MJ084677 Calyxin F; 6S-Hydroxy C35H34O9 598.220282 NA MeJP NA NA +MJ084678 Deoxycalyxin A; 3'-Hydroperoxide C35H34O9 598.220282 NA MeJP NA NA +PJ007781 CQYW C28H34N6O7S 598.221 NA PeJP NA NA +C18149 Tributyltin oxide C24H54OSn2 598.2219 NA KEGG NA NA +MJ084679 Streptidine; Octa-Ac C24H34N6O12 598.22347 NA MeJP NA NA +PJ007782 SSNEY C24H34N6O12 598.2235 NA PeJP NA NA +PJ007783 GNMMF C25H38N6O7S2 598.2244 NA PeJP NA NA +MJ084680 1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 5,5'-Dimethoxy, 4-O-?-D-glucopyranoside C28H38O14 598.226155 NA MeJP NA NA +MJ084681 15,16-Epoxy-1,2,4,8-tetrahydroxy-18,19-dinor-13(16),14-clerodadien-17,12-olide, 1,2-Di-Ac, 4-O-?-D-Glucopyranoside C28H38O14 598.226155 NA MeJP NA NA +MJ084682 2,3,4,8,9,11,12,17-Octahydroxy-5,13-briaradien-18,7-olide, 2,3,4,9-Tetra-Ac C28H38O14 598.226155 NA MeJP NA NA +MJ084683 3,3',4,4',5,5',9,9'-Octahydroxy-7,7'-epoxylignan, 3,3',5,5'-Tetra-Me ether, 9-or 9'-O-?-D-glucopyranoside C28H38O14 598.226155 NA MeJP NA NA +PJ007784 SSSSTM C21H38N6O12S 598.2269 NA PeJP NA NA +PJ007785 SCKMM C22H42N6O7S3 598.2277 NA PeJP NA NA +PJ007786 GPCHW C27H34N8O6S 598.2322 NA PeJP NA NA +PJ007787 GQEEH C23H34N8O11 598.2347 NA PeJP NA NA +PJ007788 ACCFR C24H38N8O6S2 598.2356 NA PeJP NA NA +PJ007789 GSSYW C28H34N6O9 598.2387 NA PeJP NA NA +PJ007790 GNDFF C28H34N6O9 598.2388 NA PeJP NA NA +MJ084684 Cardinalin 11 C32H38O11 598.241412 NA MeJP NA NA +MJ084685 Gedunin; 6?,11?-Diacetoxy C32H38O11 598.241412 NA MeJP NA NA +MJ084686 Kadsurarin; O3'-De-Me, O-de-Ac, O7-angeloyl C32H38O11 598.241412 NA MeJP NA NA +MJ084687 Polystachin C32H38O11 598.241412 NA MeJP NA NA +PJ007791 GTQMY C25H38N6O9S 598.2421 NA PeJP NA NA +C04536 Magnesium protoporphyrin monomethyl ester C35H34MgN4O4 598.243 NA KEGG NA NA +C04537 N,N'-Diacetylchitobiosyldiphosphodolichol C36H64N2O17P2 598.243 NA KEGG NA NA +C04539 N-Acetyl-D-glucosaminyllipopolysaccharide C36H64N2O17P2 598.243 NA KEGG NA NA +MetaCyc03948 Mg-protoporphyrin monomethyl ester [magnesium-protoporphyrin IX 13-monomethyl ester;Mg-protoporphyrin monomethyl ester;magnesium protoporphyrin monomethyl ester;MgPMME;magnesium-protoporphyrin IX 13-methyl ester;MgP monomethyl ester;] C35H34N4O4MG1 598.243048 NA metacyc NA NA +PJ007792 GDDHR C22H34N10O10 598.246 NA PeJP NA NA +PJ007793 QEHW C27H34N8O8 598.25 NA PeJP NA NA +PJ007794 GTCRY C24H38N8O8S 598.2534 NA PeJP NA NA +MJ084688 1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 1,6,9-Tribenzoyl C36H38O8 598.256668 NA MeJP NA NA +MJ084689 Tinyatoxin C36H38O8 598.256668 NA MeJP NA NA +C09201 Tinyatoxin C36H38O8 598.2567 NA KEGG NA NA +PJ007795 CKYW C29H38N6O6S 598.2574 NA PeJP NA NA +PJ007796 SSDKY C25H38N6O11 598.2599 NA PeJP NA NA +PJ007797 ACKMF C26H42N6O6S2 598.2607 NA PeJP NA NA +PJ007798 VCCKF C26H42N6O6S2 598.2608 NA PeJP NA NA +MJ084690 15,16-Epoxy-6,15,16-trihydroxy-3,13-clerodadien-17,12-olid-18-oic acid, 15,16-Di-Me ether, 6-O-?-D-glucopyranoside, Me ester C29H42O13 598.262541 NA MeJP NA NA +MJ084691 4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid; 4-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester C29H42O13 598.262541 NA MeJP NA NA +PJ007799 SPCHR C23H38N10O7S 598.2646 NA PeJP NA NA +PJ007800 AHWW C31H34N8O5 598.2652 NA PeJP NA NA +PJ007801 SSSRY C24H38N8O10 598.2711 NA PeJP NA NA +PJ007802 APPEW C29H38N6O8 598.2751 NA PeJP NA NA +MJ084692 1,3,5,14,15-Pentahydroxy-9-paralianone, 3-Benzoyl, 1,5,14-tri-Ac C33H42O10 598.277797 NA MeJP NA NA +MJ084693 11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 10-Benzoyl, 7,9,13-tri-Ac C33H42O10 598.277797 NA MeJP NA NA +MJ084694 11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 9-Benzoyl, 7,10,13-tri-Ac C33H42O10 598.277797 NA MeJP NA NA +MJ084695 2,3,5,14,15-Pentahydroxy-9-paralianone, 3-Benzoyl, 2,5,14-tri-Ac C33H42O10 598.277797 NA MeJP NA NA +MJ084696 3,5,7,14,15-Pentahydroxy-6(17),11-jatrophadien-9-one, 3-Benzoyl, 5,7,14-tri-Ac C33H42O10 598.277797 NA MeJP NA NA +MJ084697 3,5,7,8,15-Pentahydroxy-6(17)11-jatrophadiene-9,14-dione, 5-Benzoyl, 3,7-dipropanoyl C33H42O10 598.277797 NA MeJP NA NA +MJ084698 3,5,8,14,15-Pentahydroxy-9-paralianone, 3-Benzoyl, 5,8,14-tri-Ac C33H42O10 598.277797 NA MeJP NA NA +MJ084699 4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 2-Benzoyl, 9,10,13-tri-Ac C33H42O10 598.277797 NA MeJP NA NA +MJ084700 Piscidofuran C33H42O10 598.277797 NA MeJP NA NA +PJ007803 GTKMY C26H42N6O8S 598.2785 NA PeJP NA NA +HMDB00668 Hematoporphyrin IX C34H38N4O6 598.27911 http://www.hmdb.ca/metabolites/HMDB00668 HMDB NA NA +HMDB00668 Hematoporphyrin IX C34H38N4O6 598.27911 HMDB00668 PFEM_hmdb_metabocards_official NA NA +HMDB00668 Hematoporphyrin IX C34H38N4O6 598.279114 NA HMDB2010 NA NA +MJ084701 Haematoporphyrin C34H38N4O6 598.279134 NA MeJP NA NA +MetaCyc03949 (3Z)-phycocyanobilin [] C34H38N4O6 598.279135 NA metacyc NA NA +MJ084702 4-[[2-[(4-Fluorophenyl)methyl]-6-methyl-5-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-1,4-dioxoheptyl]amino]-5-(2-oxo-3-pyrrolidinyl)-2-pentenoic acid; Et ester C31H39FN4O7 598.280277 NA MeJP NA NA +PJ007804 GTEHR C23H38N10O9 598.2823 NA PeJP NA NA +PJ007805 GGSNKH C23H38N10O9 598.2824 NA PeJP NA NA +PJ007806 KEHW C28H38N8O7 598.2864 NA PeJP NA NA +PJ007807 SPKMH C25H42N8O7S 598.2897 NA PeJP NA NA +PJ007808 GAALMH C25H42N8O7S 598.2898 NA PeJP NA NA +2893 neuropeptide from eyestalk of Macrobrachium rosenb FMRF~ 598.2934 antibacterial Inhouse_peptide NA peptide +MJ084703 Glicaramide C30H42N6O5S 598.293739 NA MeJP NA NA +PJ007809 STTKY C26H42N6O10 598.2963 NA PeJP NA NA +PJ007810 THRW C27H38N10O6 598.2976 NA PeJP NA NA +MJ084704 Nigakihemiacetal C; 12-Me ether, 11-Ac, 16-O-?-D-glucopyranoside(16?-) C30H46O12 598.298926 NA MeJP NA NA +PJ007811 GVMHR C24H42N10O6S 598.301 NA PeJP NA NA +PJ007812 PPTER C25H42N8O9 598.3075 NA PeJP NA NA +MJ084705 Antibiotic WS 7338; Antibiotic WS 7338A C30H42N6O7 598.311497 NA MeJP NA NA +PJ007813 SPPLW C30H42N6O7 598.3115 NA PeJP NA NA +PJ007814 MHRR C23H42N12O5S 598.3122 NA PeJP NA NA +MJ084706 14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 3-(7-Carboxyheptanoyl), 16-Ac C34H46O9 598.314183 NA MeJP NA NA +MJ084707 Nimbolinin B; 12-Me ether, O7-detigloyl, O1-de-Ac, O1-tigloyl C34H46O9 598.314183 NA MeJP NA NA +MJ084708 Salannic acid; 1-(3-Methylbutanoyl), 3-Ac, Me ester C34H46O9 598.314183 NA MeJP NA NA +MJ084709 Superphyllinic acid; 2'-Me ether C34H46O9 598.314183 NA MeJP NA NA +MJ084710 Superphyllinic acid; 4-O-De-Me, 2,2'-di-Me ether C34H46O9 598.314183 NA MeJP NA NA +PJ007815 AAPPLM C27H46N6O7S 598.3149 NA PeJP NA NA +PJ007816 SSLHR C24H42N10O8 598.3187 NA PeJP NA NA +PJ007817 GGGGPVR C24H42N10O8 598.3188 NA PeJP NA NA +PJ007818 APKHF C29H42N8O6 598.3228 NA PeJP NA NA +PJ007819 PPVMR C26H46N8O6S 598.3261 NA PeJP NA NA +PJ007820 GPNRR C23H42N12O7 598.33 NA PeJP NA NA +PJ007821 PLLQE C27H46N6O9 598.3326 NA PeJP NA NA +PJ007822 GAPLLE C27H46N6O9 598.3327 NA PeJP NA NA +MJ084711 Androst-8-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C31H50O11 598.335312 NA MeJP NA NA +MJ084712 Cyl-2 C32H46N4O7 598.336649 NA MeJP NA NA +PJ007823 PVVER C26H46N8O8 598.3439 NA PeJP NA NA +PJ007824 APLLW C31H46N6O6 598.3479 NA PeJP NA NA +MJ084713 Antibiotic S 541; Antibiotic S 541B C35H50O8 598.350568 NA MeJP NA NA +MJ084714 Antibiotic S 541; Antibiotic S 541D C35H50O8 598.350568 NA MeJP NA NA +MJ084715 Antibiotic VM 44866; 5-Me ether C35H50O8 598.350568 NA MeJP NA NA +MJ084716 Nemadectin ? C35H50O8 598.350568 NA MeJP NA NA +MJ084717 Wikstrotoxin A C35H50O8 598.350568 NA MeJP NA NA +C11980 Avermectin A1a aglycone C35H50O8 598.3506 NA KEGG NA NA +PJ007825 APQKR C25H46N10O7 598.3551 NA PeJP NA NA +PJ007826 PLLKE C28H50N6O8 598.369 NA PeJP NA NA +MJ084718 2-Polyprenyl-1,4-benzenediol; 2-Hexaprenyl-1,4-benzenediol, 1-Sulfate C36H54O5S 598.369195 NA MeJP NA NA +MJ084719 2-Polyprenyl-1,4-benzenediol; 2-Hexaprenyl-1,4-benzenediol, 4-Sulfate C36H54O5S 598.369195 NA MeJP NA NA +MJ084720 3,14-Clerodadiene-6,13-diol, 13-O-?-L-Fucopyranoside, 6-O-?-L-rhamnopyranoside C32H54O10 598.371697 NA MeJP NA NA +MJ084721 3,14-Clerodadiene-6,13-diol, 13-O-[?-L-Fucopyranosyl-(1?2)-?-L-rhamnopyranoside] C32H54O10 598.371697 NA MeJP NA NA +MJ084722 3,14-Clerodadiene-6,13-diol, 6-O-?-D-Fucopyranoside, 13-O-?-L-rhamnopyranoside C32H54O10 598.371697 NA MeJP NA NA +MJ084723 3,14-Clerodadiene-6,13-diol, 6-O-[?-D-Fucopyranosyl-(1?2)-?-L-rhamnopyranoside] C32H54O10 598.371697 NA MeJP NA NA +MJ084724 Tocofenoxate C37H55ClO4 598.378887 NA MeJP NA NA +PJ007827 PTLLR C27H50N8O7 598.3803 NA PeJP NA NA +PJ007828 APKKR C26H50N10O6 598.3915 NA PeJP NA NA +MJ084725 Fusarochromanone; 3'-N-Ac, 4'-O-(9-octadecenoyl) C35H54N2O6 598.398187 NA MeJP NA NA +C15928 4-Ketomyxol C40H54O4 598.4022 NA KEGG NA NA +C15929 Leucokinin VIII C40H54O4 598.4022 NA KEGG NA NA +MJ084726 2,2',3,3'-Tetrahydroxy-?,?-carotene-4,4'-dione; 4'-Deoxo, 2'-deoxy C40H54O4 598.40221 NA MeJP NA NA +MJ084727 3,3',4'-Trihydroxy-?,?-caroten-4-one C40H54O4 598.40221 NA MeJP NA NA +MJ084728 Amarouciaxanthin B; 4,5?-Dihydro C40H54O4 598.40221 NA MeJP NA NA +MJ084729 Crassostreaxanthin A C40H54O4 598.40221 NA MeJP NA NA +MJ084730 Crassostreaxanthin B C40H54O4 598.40221 NA MeJP NA NA +MJ084731 Flexixanthin; 2'-Hydroxy C40H54O4 598.40221 NA MeJP NA NA +MJ084732 Halocynthiaxanthin C40H54O4 598.40221 NA MeJP NA NA +MJ084733 Lilixanthin; 4-Ketone C40H54O4 598.40221 NA MeJP NA NA +MJ084734 Mytiloxanthin C40H54O4 598.40221 NA MeJP NA NA +MJ084735 Uriolide; Deepoxy C40H54O4 598.40221 NA MeJP NA NA +HMDB03162 7-Methylhypoxanthine C40H54O4 598.40222 http://www.hmdb.ca/metabolites/HMDB03162 HMDB NA NA +HMDB03162 7-Methylhypoxanthine C40H54O4 598.40222 HMDB03162 PFEM_hmdb_metabocards_official NA NA +HMDB03162 7-Methylhypoxanthine C40H54O4 598.402222 NA HMDB2010 NA NA +PJ007829 LLLLQ C29H54N6O7 598.4054 NA PeJP NA NA +MJ084736 Cholestane-3,4,6,15,24-pentol, 3-(2-O-Methyl-?-D-xylopyranoside) C33H58O9 598.408083 NA MeJP NA NA +MJ084737 Cholestane-3,6,8,15,24-pentol, 24-O-(3-O-Methyl-?-D-xylopyranoside) C33H58O9 598.408083 NA MeJP NA NA +MJ084738 Cholestane-3,6,8,15,24-pentol, 24-O-(3-O-Methyl-?-L-arabinofuranoside) C33H58O9 598.408083 NA MeJP NA NA +PJ007830 VVLLR C28H54N8O6 598.4167 NA PeJP NA NA +MJ084739 Bengamide Z; 6-O-(12-Methyltridecanoyl) C32H58N2O8 598.419316 NA MeJP NA NA +MJ084740 Bengamide Z; 6-O-Tetradecanoyl C32H58N2O8 598.419316 NA MeJP NA NA +MJ084741 Bengamide Z; N-De-Me, 6-O-(13-methyltetradecanoyl) C32H58N2O8 598.419316 NA MeJP NA NA +MJ084742 Bengamide Z; N-De-Me, 6-O-pentadecanoyl C32H58N2O8 598.419316 NA MeJP NA NA +MJ084743 12-Oleanene-3,16,22,28-tetrol, 22-Angeloyl, 16-Ac C37H58O6 598.423339 NA MeJP NA NA +MJ084744 3-(3,7-Dimethyl-5-oxo-2,6-octadienyl)-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde; 1'-O-Octadecanoyl C37H58O6 598.423339 NA MeJP NA NA +MJ084745 Hericenone G C37H58O6 598.423339 NA MeJP NA NA +MJ084746 Prednisolone; 21-Hexadecanoyl C37H58O6 598.423339 NA MeJP NA NA +PJ007831 LLLLK C30H58N6O6 598.4418 NA PeJP NA NA +MJ084747 Bacteriopurpurin; 3,4-Dihydro, Me ether C42H62O2 598.474981 NA MeJP NA NA +MJ084748 Sulfolobusquinone C39H66O2S 598.478352 NA MeJP NA NA +MJ084749 Jetein C35H66O7 598.480854 NA MeJP NA NA +MJ084750 5,7-Dihydroxy-6-methyl-2-nonacosyl-4H-1-benzopyran-4-one C39H66O4 598.49611 NA MeJP NA NA +MJ084751 Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 3-O-(5,8,11,14-Eicosatetraenoyl)(all-Z) C39H66O4 598.49611 NA MeJP NA NA +2747 activating kinases and phosphatases peptide EPFYMNWPD 598.7331 MH2+ Inhouse_peptide NA peptide +MJ084752 3-Amino-2,4,6-triiodobenzoic acid; N,N-Di-Ac C11H8I3NO4 598.758738 NA MeJP NA NA +5446 caeridin 1,1 GLLDGLLGTLGLG 598.84145 MH2+ Inhouse_peptide NA peptide +MJ084753 Clionamide, Tetra-Ac C27H26BrN3O8 599.090327 NA MeJP NA NA +PJ007832 CCDEM C20H33N5O10S3 599.139 NA PeJP NA NA +PJ007833 GSCCCQ C19H33N7O9S3 599.1502 NA PeJP NA NA +PJ007834 SSSCCN C19H33N7O11S2 599.168 NA PeJP NA NA +PJ007835 PCCDY C24H33N5O9S2 599.172 NA PeJP NA NA +PJ007836 SCEMM C21H37N5O9S3 599.1754 NA PeJP NA NA +PJ007837 CCNNF C23H33N7O8S2 599.1832 NA PeJP NA NA +PJ007838 GSCCCK C20H37N7O8S3 599.1866 NA PeJP NA NA +PJ007839 GCEEY C24H33N5O11S 599.1897 NA PeJP NA NA +PJ007840 GDDMY C24H33N5O11S 599.1898 NA PeJP NA NA +PJ007841 PCCMF C25H37N5O6S3 599.1906 NA PeJP NA NA +PJ007842 GMMMM C22H41N5O6S4 599.194 NA PeJP NA NA +PJ007843 TCCHH C22H33N9O7S2 599.1945 NA PeJP NA NA +MJ084754 Daunomycin; N-(Ethoxycarbonyl) C30H33NO12 599.200275 NA MeJP NA NA +PJ007844 SCNNY C23H33N7O10S 599.201 NA PeJP NA NA +PJ007845 CEYW C28H33N5O8S 599.205 NA PeJP NA NA +MJ084755 Microciona Cell aggregation factor C23H37NO17 599.206148 NA MeJP NA NA +PJ007846 SSDEY C24H33N5O13 599.2075 NA PeJP NA NA +PJ007847 SPCMY C25H37N5O8S2 599.2084 NA PeJP NA NA +PJ007848 STMMM C22H41N5O8S3 599.2117 NA PeJP NA NA +PJ007849 GEEEH C23H33N7O12 599.2187 NA PeJP NA NA +PJ007850 VDDDH C23H33N7O12 599.2188 NA PeJP NA NA +PJ007851 GDDFF C28H33N5O10 599.2228 NA PeJP NA NA +PJ007852 GTEMY C25H37N5O10S 599.2261 NA PeJP NA NA +PJ007853 GCHHF C26H33N9O6S 599.2275 NA PeJP NA NA +PJ007854 SNNEH C22H33N9O11 599.23 NA PeJP NA NA +PJ007855 EEHW C27H33N7O9 599.234 NA PeJP NA NA +MJ084756 Epelmycin C; 4A-O-Deglycosyl, 4-Me ether C31H37NO11 599.236661 NA MeJP NA NA +PJ007856 SPEMH C24H37N7O9S 599.2374 NA PeJP NA NA +PJ007857 TMYW C29H37N5O7S 599.2414 NA PeJP NA NA +PJ007858 STTEY C25H37N5O12 599.2439 NA PeJP NA NA +PJ007859 GVMMY C26H41N5O7S2 599.2448 NA PeJP NA NA +PJ007860 GSNHW C26H33N9O8 599.2452 NA PeJP NA NA +3090 gluten A5 exorphin GYYPT 599.246 celiac toxic Inhouse_peptide NA peptide +PJ007861 GQQMH C23H37N9O8S 599.2486 NA PeJP NA NA +MJ084757 1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 6-(3-Pyridinecarbonyl), 1,9-dibenzoyl C35H37NO8 599.251917 NA MeJP NA NA +PJ007862 PPCHF C28H37N7O6S 599.2526 NA PeJP NA NA +PJ007863 SVEEH C24H37N7O11 599.2551 NA PeJP NA NA +PJ007864 MMRY C25H41N7O6S2 599.256 NA PeJP NA NA +PJ007865 GPTYY C29H37N5O9 599.2591 NA PeJP NA NA +PJ007866 GVDFY C29H37N5O9 599.2592 NA PeJP NA NA +PJ007867 GCQHR C22H37N11O7S 599.2598 NA PeJP NA NA +PJ007868 GGACHR C22H37N11O7S 599.2599 NA PeJP NA NA +PJ007869 SSLMY C26H41N5O9S 599.2625 NA PeJP NA NA +MJ084758 Spermidine; N,N''-Bis(4-hydroxycinnamoyl), N'-(3,4-dihydroxycinnamoyl) C34H37N3O7 599.26315 NA MeJP NA NA +MJ084759 Spermidine; N,N'-Bis(4-hydroxycinnamoyl), N''-(3,4-dihydroxycinnamoyl) C34H37N3O7 599.26315 NA MeJP NA NA +PJ007870 SNDKH C23H37N9O10 599.2664 NA PeJP NA NA +PJ007871 SPPNW C28H37N7O8 599.2704 NA PeJP NA NA +PJ007872 PPQQM C25H41N7O8S 599.2737 NA PeJP NA NA +PJ007873 ALEMH C25H41N7O8S 599.2738 NA PeJP NA NA +PJ007874 TFFW C33H37N5O6 599.2744 NA PeJP NA NA +PJ007875 SSNHR C22H37N11O9 599.2776 NA PeJP NA NA +PJ007876 GVMFF C30H41N5O6S 599.2778 NA PeJP NA NA +PJ007877 PPCQR C24H41N9O7S 599.285 NA PeJP NA NA +MJ084760 Phoslactomycin; Phoslactomycin A C29H46NO10P 599.285933 NA MeJP NA NA +PJ007878 MFFR C29H41N7O5S 599.289 NA PeJP NA NA +PJ007879 TTLEH C25H41N7O10 599.2915 NA PeJP NA NA +PJ007880 GLHHH C26H37N11O6 599.2929 NA PeJP NA NA +PJ007881 AALYY C30H41N5O8 599.2955 NA PeJP NA NA +PJ007882 GCKHR C23H41N11O6S 599.2962 NA PeJP NA NA +MJ084761 Lividomycin A; 4'''-Deglycosyl C23H45N5O13 599.301386 NA MeJP NA NA +MJ084762 Paromomycin; 5'''-Epimer, 6-deoxy C23H45N5O13 599.301386 NA MeJP NA NA +MJ084763 Paromomycin; 6-Deoxy C23H45N5O13 599.301386 NA MeJP NA NA +C18003 Lividomycin B C23H45N5O13 599.3014 NA KEGG NA NA +PJ007883 APQER C24H41N9O9 599.3027 NA PeJP NA NA +PJ007884 GAAPER C24H41N9O9 599.3028 NA PeJP NA NA +PJ007885 GPLQW C29H41N7O7 599.3068 NA PeJP NA NA +C08677 Delphinine C33H45NO9 599.3094 NA KEGG NA NA +MJ084764 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-(3S-Dimethylamino-2S-hydroxy-3-phenylpropanoyl), 13-Ac C33H45NO9 599.309432 NA MeJP NA NA +MJ084765 Isodelphinine C33H45NO9 599.309432 NA MeJP NA NA +PJ007886 SLLMH C26H45N7O7S 599.3101 NA PeJP NA NA +PJ007887 GAPPKM C26H45N7O7S 599.3102 NA PeJP NA NA +PJ007888 GPDRR C23H41N11O8 599.314 NA PeJP NA NA +PJ007889 PLLEE C27H45N5O10 599.3167 NA PeJP NA NA +PJ007890 AAPRW C28H41N9O6 599.318 NA PeJP NA NA +PJ007891 PPCKR C25H45N9O6S 599.3214 NA PeJP NA NA +EUR927 Lyso PE 24:6 [M+FA-H]- C29H48NO7P 599.321722 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR927 Lyso PE 24:6 [M+FA-H]- C29H48NO7P 599.321722 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR927 Lyso PE 24:6 [M+FA-H]- C29H48NO7P 599.321722 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR927 Lyso PE 24:6 [M+FA-H]- C29H48NO7P 599.321722 masses lipides attendues Inhousejuil11 NA NA +MJ084766 Penitrem A; 10-Oxo, 11?,33-dihydro, 15-deoxy, dechloro C37H45NO6 599.324688 NA MeJP NA NA +MJ084767 Penitrem A; Dechloro C37H45NO6 599.324688 NA MeJP NA NA +PJ007892 PVQKE C26H45N7O9 599.3279 NA PeJP NA NA +PJ007893 APKER C25H45N9O8 599.3391 NA PeJP NA NA +PJ007894 GGGGPKK C25H45N9O8 599.3392 NA PeJP NA NA +PJ007895 GPLKW C30H45N7O6 599.3432 NA PeJP NA NA +PJ007896 PPKKM C27H49N7O6S 599.3465 NA PeJP NA NA +PJ007897 APTRR C24H45N11O7 599.3504 NA PeJP NA NA +3614 NA RTPKV 599.362 ACE inhibitor Inhouse_peptide NA peptide +PJ007898 PVKKE C27H49N7O8 599.3643 NA PeJP NA NA +MJ084768 Icadamide B C31H53NO10 599.366946 NA MeJP NA NA +MJ084769 Tylonolide; 20-Alcohol, 5-O-(3,6-dideoxy-3-dimethylamino-?-D-glucopyranoside) C31H53NO10 599.366946 NA MeJP NA NA +PJ007899 SPLKR C26H49N9O7 599.3755 NA PeJP NA NA +PJ007900 GVLRR C25H49N11O6 599.3868 NA PeJP NA NA +PJ007901 LLLLE C29H53N5O8 599.3894 NA PeJP NA NA +EUR775 Lyso PC 22:1 [M+Na]+ C30H60NO7P 599.392688 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR775 Lyso PC 22:1 [M+Na]+ C30H60NO7P 599.392688 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR775 Lyso PC 22:1 [M+Na]+ C30H60NO7P 599.392688 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR775 Lyso PC 22:1 [M+Na]+ C30H60NO7P 599.392688 masses lipides attendues Inhousejuil11 NA NA +PJ007902 LRRR C24H49N13O5 599.398 NA PeJP NA NA +PJ007903 VLLQK C28H53N7O7 599.4007 NA PeJP NA NA +MJ084770 N-[[4-(1,1-Dimethylethyl)phenyl]methyl]-N-methylleucyl-N-(1,1-dimethylethyl)-O-(phenylmethyl)tyrosinamide C38H53N3O3 599.408692 NA MeJP NA NA +PJ007904 ALLKR C27H53N9O6 599.4119 NA PeJP NA NA +PJ007905 VLLKK C29H57N7O6 599.4371 NA PeJP NA NA +MJ084771 3,3',4,4',5,5'-Hexabromo-2,2'-bi-1H-pyrrole C8H2Br6N2 599.531823 NA MeJP NA NA +MJ084772 2-Amino-1,3,4-octadecanetriol, N-(2R-Hydroxyoctadecanoyl) C36H73NO5 599.548874 NA MeJP NA NA +MJ084773 Acalyphamide C40H73NO2 599.56413 NA MeJP NA NA +3971 ACE inhibitor (fragment of bovine a-La) VGINYWLAHK 599.81545 MH2+ Inhouse_peptide NA peptide +MJ084774 Oganomycin GA C23H24N2O13S2 600.07198 NA MeJP NA NA +MJ084775 3',4',5,7-Tetrahydroxyflavone; 7-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C28H24O15 600.11152 NA MeJP NA NA +MJ084776 Astragalin; 2''-O-(3,4,5-Trihydroxybenzoyl) C28H24O15 600.11152 NA MeJP NA NA +MJ084777 Astragalin; 6''-O-(3,4,5-Trihydroxybenzoyl) C28H24O15 600.11152 NA MeJP NA NA +MJ084778 Isoorientin; 6''-O-(3,4,5-Trihydroxybenzoyl) C28H24O15 600.11152 NA MeJP NA NA +MJ084779 Populnin; 6''-O-(3,4,5-Trihydroxybenzoyl) C28H24O15 600.11152 NA MeJP NA NA +MJ084780 Quercitrin; 2''-O-(3,4,5-Trihydroxybenzoyl) C28H24O15 600.11152 NA MeJP NA NA +MJ084781 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(2-O-Galloyl-?-D-galactopyranoside) C28H25O15(+) 600.11152 NA MeJP NA NA +MJ084782 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[3,4,5-Trihydroxybenzoyl-(?2)-?-D-glucopyranoside] C28H25O15(+) 600.11152 NA MeJP NA NA +FL3FACCS0056 Isoorientin 2''-O-gallate C28H24O15 600.11152 438000-11-4 knapsack NA NA +FL3FACCS0062 Orientin 2''-O-gallate C28H24O15 600.11152 438000-12-5 knapsack NA NA +FL5FAAGA0029 Kaempferol 3-(6''-galloylgalactoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-galactopyranosyl]oxy]-4H-1-benzopyran-4-one C28H24O15 600.11152 56317-06-7 knapsack NA NA +FL5FAAGL0064 Kaempferol 3-(2''-galloylglucoside) C28H24O15 600.11152 76343-90-3 knapsack NA NA +FL5FAAGL0065 Kaempferol 3-(6''-galloylglucoside) C28H24O15 600.11152 56317-05-6 knapsack NA NA +FL5FAAGS0059 Kaempferol 7-(6''-galloylglucoside) C28H24O15 600.11152 85933-23-9 knapsack NA NA +FL5FACGS0050 Quercetin 3-(2''-galloylrhamnoside) C28H24O15 600.11152 80229-08-9 knapsack NA NA +MJ084783 Thermorubin A C32H24O12 600.126776 NA MeJP NA NA +PJ007906 GSCCCE C19H32N6O10S3 600.1342 NA PeJP NA NA +MJ084784 Nicofuranose C30H24N4O10 600.149243 NA MeJP NA NA +PJ007907 SCCCW C23H32N6O7S3 600.1495 NA PeJP NA NA +PJ007908 SSSCCD C19H32N6O12S2 600.152 NA PeJP NA NA +PJ007909 CCNMM C20H36N6O7S4 600.1529 NA PeJP NA NA +MJ084785 Anhydrophlegmacin-9,10-quinone A2; 3'-Hydroxy, 5'-Me ether C33H28O11 600.163161 NA MeJP NA NA +PJ007910 CCNDF C23H32N6O9S2 600.1672 NA PeJP NA NA +PJ007911 GGCCDF C23H32N6O9S2 600.1673 NA PeJP NA NA +PJ007912 GSTCCM C20H36N6O9S3 600.1706 NA PeJP NA NA +MJ084786 Paeoniflorin; 4''-Hydroxy, 6'-benzoyl C30H32O13 600.184291 NA MeJP NA NA +MJ084787 Paeoniflorin; 6'-(4-Hydroxybenzoyl) C30H32O13 600.184291 NA MeJP NA NA +MJ084788 Rutaretin, 1'-O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranoside] C30H32O13 600.184291 NA MeJP NA NA +PJ007913 SCNDY C23H32N6O11S 600.185 NA PeJP NA NA +PJ007914 SSSSCM C20H36N6O11S2 600.1884 NA PeJP NA NA +MJ084789 2,8,9,11,12,14,16-Heptahydroxy-3,5-briaradien-18,7-olide, 16-Deoxy, 16-chloro, 2,9,12,14-tetra-Ac C28H37ClO12 600.197354 NA MeJP NA NA +MJ084790 6-Chloro-11,20-epoxy-2,8,9,12,14-pentahydroxy-5(16)-briaren-18,7-olide; 2,9,12,14-Tetra-Ac C28H37ClO12 600.197354 NA MeJP NA NA +MJ084791 6-Chloro-11,20-epoxy-2,8,9,13,14-pentahydroxy-5(16)-briaren-18,7-olide; 2,9,13,14-Tetra-Ac C28H37ClO12 600.197354 NA MeJP NA NA +MJ084792 6-Chloro-4,8-epoxy-2,4,9,12,14-pentahydroxy-5(16)-briaren-18,7-olide; 2,9,12,14-Tetra-Ac C28H37ClO12 600.197354 NA MeJP NA NA +MJ084793 1,2-Bis(2,4-dihydroxy-6-methoxybenzoyl)-3,4-bis(4-methoxyphenyl)cyclobutane C34H32O10 600.199547 NA MeJP NA NA +MJ084794 Calycopterone; O4-De-Me C34H32O10 600.199547 NA MeJP NA NA +MJ084795 Rubioncolin A C34H32O10 600.199547 NA MeJP NA NA +MJ084796 Polyoxin H C23H32N6O13 600.202735 NA MeJP NA NA +PJ007915 GCQMY C24H36N6O8S2 600.2036 NA PeJP NA NA +C11663 Loganin pentaacetate C27H36O15 600.2054 NA KEGG NA NA +PJ007916 CNNNH C21H32N10O9S 600.2075 NA PeJP NA NA +PJ007917 SNDEH C22H32N8O12 600.214 NA PeJP NA NA +PJ007918 GCCRY C23H36N8O7S2 600.2149 NA PeJP NA NA +MJ084797 5,20-Epoxy-1,2,4,7,10,13,19-heptahydroxy-11-taxen-9-one, 13-Ketone, 2-benzoyl, 4,10-di-Ac C31H36O12 600.220676 NA MeJP NA NA +MJ084798 Aquayamycin; 12b-O-(2,3-Dideoxy-?-L-rhamnopyranoside) C31H36O12 600.220676 NA MeJP NA NA +MJ084799 Javanicinoside B; 16-Deglucosyl, 16-ketone C31H36O12 600.220676 NA MeJP NA NA +C12408 100-2 C31H36O12 600.2207 NA KEGG NA NA +PJ007919 SSNMY C24H36N6O10S 600.2214 NA PeJP NA NA +PJ007920 GSDHW C26H32N8O9 600.2293 NA PeJP NA NA +PJ007921 GQEMH C23H36N8O9S 600.2326 NA PeJP NA NA +MJ084800 Punaglandin 1; 17,18-Dihydro, 12-Ac C29H41ClO11 600.233739 NA MeJP NA NA +MJ084801 2-[4-(2,4-Decadienoyl)-2,6-dideoxy-?-D-arabino-hexopyranosyl]-1,6,10-trihydroxy-8-methyl-5,12-naphthacenedione C35H36O9 600.235932 NA MeJP NA NA +MJ084802 Antibiotic C 104; 6-Hydroxy C35H36O9 600.235932 NA MeJP NA NA +PJ007922 GCQFF C28H36N6O7S 600.2366 NA PeJP NA NA +PJ007923 GGACFF C28H36N6O7S 600.2367 NA PeJP NA NA +PJ007924 GSSSTY C24H36N6O12 600.2391 NA PeJP NA NA +PJ007925 GSPPDE C24H36N6O12 600.2392 NA PeJP NA NA +PJ007926 GCKMY C25H40N6O7S2 600.24 NA PeJP NA NA +PJ007927 GCEHR C22H36N10O8S 600.2439 NA PeJP NA NA +MJ084803 Paraensidimerine A; 1,2,10,11-Tetramethoxy, 16,16a-didehydro C34H36N2O8 600.247166 NA MeJP NA NA +PJ007928 QMHW C27H36N8O6S 600.2479 NA PeJP NA NA +PJ007929 STQEH C23H36N8O11 600.2504 NA PeJP NA NA +PJ007930 GNHHH C24H32N12O7 600.2517 NA PeJP NA NA +PJ007931 SPPDW C28H36N6O9 600.2544 NA PeJP NA NA +MJ084804 3,9-Dihydroxy-7-illuden-1-one, 9-[2-O-Acetyl-4-(p-hydroxy-E-cinnamoyl)-?-D-glucopyranoside] C32H40O11 600.257062 NA MeJP NA NA +MJ084805 3,9-Dihydroxy-7-illuden-1-one, 9-[2-O-Acetyl-4-(p-hydroxy-Z-cinnamoyl)-?-D-glucopyranoside] C32H40O11 600.257062 NA MeJP NA NA +MJ084806 6,14:8,14-Diepoxy-3,5,7,13,15,17-hexahydroxy-9-presegetanone, 3-Benzoyl, 5-angeloyl C32H40O11 600.257062 NA MeJP NA NA +MJ084807 Azadirachtanin C32H40O11 600.257062 NA MeJP NA NA +MJ084808 Cedrelanolide I C32H40O11 600.257062 NA MeJP NA NA +MJ084809 Detigloylswietenine; 2-Hydroxy, 3-tigloyl C32H40O11 600.257062 NA MeJP NA NA +MJ084810 Detigloylswietenine; 8?,30?-Epoxide, 3-propanoyl, 6-Ac C32H40O11 600.257062 NA MeJP NA NA +MJ084811 Estrone; O-(2,3,4,6-Tetra-O-acetyl-?-D-glucopyranoside) C32H40O11 600.257062 NA MeJP NA NA +MJ084812 Rohituka 5; 15-Deacetyl, 15-ketone C32H40O11 600.257062 NA MeJP NA NA +PJ007932 STCKY C25H40N6O9S 600.2578 NA PeJP NA NA +PJ007933 CHRW C26H36N10O5S 600.2591 NA PeJP NA NA +PJ007934 SSDHR C22H36N10O10 600.2616 NA PeJP NA NA +PJ007935 GTTHW C27H36N8O8 600.2656 NA PeJP NA NA +PJ007936 GGGGAPW C27H36N8O8 600.2657 NA PeJP NA NA +PJ007937 PPCER C24H40N8O8S 600.269 NA PeJP NA NA +MJ084813 1,2-Bis(3,4-dimethoxyphenyl)-3,4-bis(3,5-dimethoxyphenyl)cyclobutane C36H40O8 600.272318 NA MeJP NA NA +MJ084814 1,3-Bis(3,4-dimethoxyphenyl)-2,4-bis(3,5-dimethoxyphenyl)cyclobutane C36H40O8 600.272318 NA MeJP NA NA +PJ007938 APPMW C29H40N6O6S 600.273 NA PeJP NA NA +MJ084815 Metkefamide C29H40N6O6S 600.273003 NA MeJP NA NA +PJ007939 PVQEE C25H40N6O11 600.2755 NA PeJP NA NA +PJ007940 PPNHH C26H36N10O7 600.2769 NA PeJP NA NA +MJ084816 Javanicinoside L; 12-Ac C29H44O13 600.278191 NA MeJP NA NA +PJ007941 GTMHR C23H40N10O7S 600.2802 NA PeJP NA NA +PJ007942 KMHW C28H40N8O5S 600.2843 NA PeJP NA NA +PJ007943 APEER C24H40N8O10 600.2868 NA PeJP NA NA +PJ007944 GPLEW C29H40N6O8 600.2908 NA PeJP NA NA +MJ084817 Meliaquinal C33H44O10 600.293447 NA MeJP NA NA +PJ007945 PPKEM C26H44N6O8S 600.2942 NA PeJP NA NA +MJ084818 Aplysioviolin C34H40N4O6 600.294785 NA MeJP NA NA +MJ084819 Scutianine J C34H40N4O6 600.294785 NA MeJP NA NA +PJ007946 STTHR C23H40N10O9 600.298 NA PeJP NA NA +3251 beta-casomorphin-11 (60-70) YPFPGPIPNSL 600.30145 MH2+ Inhouse_peptide NA peptide +PJ007947 GPNKW C28H40N8O7 600.302 NA PeJP NA NA +MJ084820 Lycoctonine; 18-O-(2-Aminobenzoyl), 19-oxo C32H44N2O9 600.304681 NA MeJP NA NA +MJ084821 Ranaconine; O4-(2-Acetamidobenzoyl) C32H44N2O9 600.304681 NA MeJP NA NA +MJ084822 Sepaconitine; N-Ac C32H44N2O9 600.304681 NA MeJP NA NA +MJ084823 Streptolydigin C32H44N2O9 600.304681 NA MeJP NA NA +PJ007948 PPTMR C25H44N8O7S 600.3054 NA PeJP NA NA +PJ007949 PLWW C33H40N6O5 600.306 NA PeJP NA NA +MJ084824 Vilasinin; 1-Cinnamoyl, 3-Ac C37H44O7 600.308703 NA MeJP NA NA +MJ084825 Caracurine V; Nb-Oxide C38H40N4O3 600.310041 NA MeJP NA NA +MJ084826 N-[2-[[[1-[Methyl[(4-methylphenyl)acetyl]amino]-2-(2-naphthalenyl)ethyl]amino]carbonyl]cyclohexyl]-1H-indole-3-carboxamide C38H40N4O3 600.310041 NA MeJP NA NA +PJ007950 PVKEE C26H44N6O10 600.3119 NA PeJP NA NA +PJ007951 AAHFR C27H40N10O6 600.3133 NA PeJP NA NA +MJ084827 7(14)-Bisabolene-1,2,3,4,5,8,10,11-octol; 2-Angeloyl, 5,10-bis(2-methylpropanoyl), 4-Ac C30H48O12 600.314577 NA MeJP NA NA +MJ084828 7(14)-Bisabolene-1,2,3,4,5,8,10,11-octol; 2-Angeloyl, 5,8-bis(2-methylpropanoyl), 4-Ac C30H48O12 600.314577 NA MeJP NA NA +MJ084829 Tridiurecaine C31H44N4O8 600.315914 NA MeJP NA NA +MJ084830 Mooniine A C36H44N2O6 600.319937 NA MeJP NA NA +PJ007952 SPLER C25H44N8O9 600.3231 NA PeJP NA NA +PJ007953 GGPDKK C25H44N8O9 600.3232 NA PeJP NA NA +PJ007954 SPVLW C30H44N6O7 600.3272 NA PeJP NA NA +C11970 5-Oxoavermectin ''2a'' aglycone C34H48O9 600.3298 NA KEGG NA NA +MJ084831 2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 16,25-Di-Ac C34H48O9 600.329833 NA MeJP NA NA +MJ084832 2,3,5,14,20,22,25-Heptahydroxycholest-7-en-6-one, 22-Benzoyl C34H48O9 600.329833 NA MeJP NA NA +MJ084833 Daturametelin C; 21-Deoxy, O27-de-Me, 27-O-?-D-glucopyranoside C34H48O9 600.329833 NA MeJP NA NA +MJ084834 Milbemycin ?1; 26-O-(Propanoyloxy) C34H48O9 600.329833 NA MeJP NA NA +MJ084835 Petuniasterone D; 11?-Hydroxy, 12?-acetoxy, 7-Ac C34H48O9 600.329833 NA MeJP NA NA +MJ084836 Phebaloparvilactone C34H48O9 600.329833 NA MeJP NA NA +MJ084837 Sordaricin; O-[2-Methyl-2E,4E-hexadienoyl-(?3)-6-deoxy-4-O-methyl-?-D-altropyranoside] C34H48O9 600.329833 NA MeJP NA NA +MJ084838 Sordaricin; O-[2-Methyl-2E,4Z-hexadienoyl-(?3)-6-deoxy-4-O-methyl-?-D-altropyranoside] C34H48O9 600.329833 NA MeJP NA NA +MJ084839 Sordaricin; O-[2-Methyl-2Z,4E-hexadienoyl-(?3)-6-deoxy-4-O-methyl-?-D-altropyranoside] C34H48O9 600.329833 NA MeJP NA NA +MJ084840 Sordaricin; O-[2-Methyl-2Z,4Z-hexadienoyl-(?3)-6-deoxy-4-O-methyl-?-D-altropyranoside] C34H48O9 600.329833 NA MeJP NA NA +PJ007955 PLLQM C27H48N6O7S 600.3305 NA PeJP NA NA +PJ007956 GAPLLM C27H48N6O7S 600.3306 NA PeJP NA NA +PJ007957 SPNKR C24H44N10O8 600.3344 NA PeJP NA NA +MJ084841 3-[3-[[Bis[4-(2-methylpropyl)phenyl]methyl]amino]benzoyl]-1H-indole-1-butanoic acid C40H44N2O3 600.335193 NA MeJP NA NA +MJ084842 Eisenia Inhibitory peptapeptides; EIPP 2 C29H44N8O6 600.338381 NA MeJP NA NA +PJ007958 GLKHF C29H44N8O6 600.3384 NA PeJP NA NA +MJ084843 Delvestine; O1-Me C33H48N2O8 600.341066 NA MeJP NA NA +MJ084844 Lycoctonine; 18-O-(2-Methylaminobenzoyl) C33H48N2O8 600.341066 NA MeJP NA NA +PJ007959 PVVMR C26H48N8O6S 600.3418 NA PeJP NA NA +MJ084845 Gambogenin; 29-Deoxo C38H48O6 600.345089 NA MeJP NA NA +PJ007960 AAQRR C23H44N12O7 600.3456 NA PeJP NA NA +MJ084846 Divarine C39H44N4O2 600.346426 NA MeJP NA NA +MJ084847 Matopensine; 16-Methoxy, 16'-epimer C39H44N4O2 600.346426 NA MeJP NA NA +MJ084848 Monogagaine C39H44N4O2 600.346426 NA MeJP NA NA +MJ084849 Pseudovobparicine C39H44N4O2 600.346426 NA MeJP NA NA +MJ084850 Vobparicine C39H44N4O2 600.346426 NA MeJP NA NA +MJ084851 Nocardamine C27H48N6O9 600.348277 NA MeJP NA NA +PJ007961 VLLQE C27H48N6O9 600.3483 NA PeJP NA NA +MJ084852 15-Pimarene-7,8,11,20-tetrol, 7-O-?-D-Glucopyranoside, 20-(3-hydroxy-3-methylbutanoyl) C31H52O11 600.350962 NA MeJP NA NA +PJ007962 NRRR C22H44N14O6 600.3569 NA PeJP NA NA +PJ007963 ALLER C26H48N8O8 600.3595 NA PeJP NA NA +PJ007964 GLLLW C31H48N6O6 600.3636 NA PeJP NA NA +C09157 Phorbol 12-tiglate 13-decanoate C35H52O8 600.3662 NA KEGG NA NA +MJ084853 3,19,20-Trihydroxy-11,13(18)-ursadien-28-oic acid, 28?20 Lactone, 3-O-?-L-arabinopyranoside C35H52O8 600.366218 NA MeJP NA NA +MJ084854 3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3,23-Di-Ac, 28-Me ester C35H52O8 600.366218 NA MeJP NA NA +MJ084855 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Decanoyl, 12-tigloyl C35H52O8 600.366218 NA MeJP NA NA +MJ084856 Cimicinol C35H52O8 600.366218 NA MeJP NA NA +MJ084857 Milbemycin IV; 22?, 27-Dihydroxy, O5-Me C35H52O8 600.366218 NA MeJP NA NA +MJ084858 Milbemycin IV; 6,22?-Dihydroxy, O5-Me C35H52O8 600.366218 NA MeJP NA NA +MJ084859 Onchitriol I; 4,13-Diepimer, 15-propanoyl C35H52O8 600.366218 NA MeJP NA NA +MJ084860 Vilangin C35H52O8 600.366218 NA MeJP NA NA +PJ007965 PLLKM C28H52N6O6S 600.3669 NA PeJP NA NA +PJ007966 GLQKR C25H48N10O7 600.3708 NA PeJP NA NA +MJ084861 3,13-Dihydroxy-11-ursen-28-oic acid, 28?13-Lactone, 3-O-(p-hydroxycinnamoyl) C39H52O5 600.381474 NA MeJP NA NA +MJ084862 3-Hydroxy-7,9(11)-multifloradien-29-oic acid; 3?-form, 3-(4-Hydroxycinnamoyl) C39H52O5 600.381474 NA MeJP NA NA +PJ007967 AAKRR C24H48N12O6 600.382 NA PeJP NA NA +PJ007968 VLLKE C28H52N6O8 600.3847 NA PeJP NA NA +MJ084863 Cholestane-3,4,6,8,15,24-hexol, 24-O-?-L-Arabinofuranoside C32H56O10 600.387348 NA MeJP NA NA +MJ084864 Cholestane-3,4,6,8,15,26-hexol, 26-O-?-D-Xylopyranoside C32H56O10 600.387348 NA MeJP NA NA +MJ084865 Sansalvamide; N9-Me C33H52N4O6 600.388685 NA MeJP NA NA +PJ007969 SLLLR C27H52N8O7 600.3959 NA PeJP NA NA +MJ084866 21,23-Epoxy-4,7-dihydroxy-3,4-secoapotirucalla-14,24-dien-3-oic acid, 7-(2R-Hydroxy-3-methyl-3E-pentenoyl) C36H56O7 600.402604 NA MeJP NA NA +PJ007970 GLKKR C26H52N10O6 600.4072 NA PeJP NA NA +MJ084867 Fusarochromanone; 3'-N-Ac, 4'-O-(16-methylheptadecanoyl) C35H56N2O6 600.413837 NA MeJP NA NA +HMDB03020 Neoxanthin C40H56O4 600.417847 NA HMDB2010 NA NA +HMDB03101 Violaxanthin C40H56O4 600.417847 NA HMDB2010 NA NA +HMDB03020 Neoxanthin C40H56O4 600.41785 http://www.hmdb.ca/metabolites/HMDB03020 HMDB NA NA +HMDB03101 Violaxanthin C40H56O4 600.41785 http://www.hmdb.ca/metabolites/HMDB03101 HMDB NA NA +HMDB03020 Neoxanthin C40H56O4 600.41785 HMDB03020 PFEM_hmdb_metabocards_official NA NA +HMDB03101 Violaxanthin C40H56O4 600.41785 HMDB03101 PFEM_hmdb_metabocards_official NA NA +MJ084868 3,6-Epoxy-5,6-dihydro-3',5-dihydroxy-?,?-caroten-6'-one C40H56O4 600.41786 NA MeJP NA NA +MJ084869 3,6-Epoxy-5,6-dihydro-5-hydroxy-?,?-caroten-6'-one C40H56O4 600.41786 NA MeJP NA NA +MJ084870 ?-Carotenone C40H56O4 600.41786 NA MeJP NA NA +MJ084871 Auroxanthin C40H56O4 600.41786 NA MeJP NA NA +MJ084872 Capsanthin; 5?,6?-Epoxide C40H56O4 600.41786 NA MeJP NA NA +MJ084873 Capsochrome C40H56O4 600.41786 NA MeJP NA NA +MJ084874 Capsoneoxanthin C40H56O4 600.41786 NA MeJP NA NA +MJ084875 Capsorubin C40H56O4 600.41786 NA MeJP NA NA +MJ084876 Crustaxanthin C40H56O4 600.41786 NA MeJP NA NA +MJ084877 Cucurbitaxanthin A; 5'?,6'?-Epoxide C40H56O4 600.41786 NA MeJP NA NA +MJ084878 Cunninghamic acid A C40H56O4 600.41786 NA MeJP NA NA +MJ084879 Cyclodione C40H56O4 600.41786 NA MeJP NA NA +MJ084880 Cycloviolaxanthin C40H56O4 600.41786 NA MeJP NA NA +MJ084881 Heteroxanthin C40H56O4 600.41786 NA MeJP NA NA +MJ084882 Lilixanthin C40H56O4 600.41786 NA MeJP NA NA +MJ084883 Mimulaxanthin C40H56O4 600.41786 NA MeJP NA NA +MJ084884 Neoxanthin C40H56O4 600.41786 NA MeJP NA NA +MJ084885 Nostoxanthin C40H56O4 600.41786 NA MeJP NA NA +MJ084886 Prasinoxanthin C40H56O4 600.41786 NA MeJP NA NA +MJ084887 Prepasinoxanthin C40H56O4 600.41786 NA MeJP NA NA +MJ084888 Salmoxanthin C40H56O4 600.41786 NA MeJP NA NA +MJ084889 Siphonaxanthin C40H56O4 600.41786 NA MeJP NA NA +MJ084890 Trollichrome C40H56O4 600.41786 NA MeJP NA NA +MJ084891 Violaxanthin C40H56O4 600.41786 NA MeJP NA NA +MJ084892 Webbiaxanthin C40H56O4 600.41786 NA MeJP NA NA +MJ084893 2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone C40H56O4 600.41786 NA MeJP NA NA +MetaCyc03950 9'-cis-neoxanthin [9cNeox;9c-neoxanthin;9'-cis-neoxanthin;] C40H56O4 600.41786 NA metacyc NA NA +MetaCyc03951 trans-neoxanthin [] C40H56O4 600.41786 NA metacyc NA NA +MetaCyc03952 violaxanthin [5,6,5',6'-diepoxy-5,6,5',6'-tetrahydro-β,β-carotene-3,3'-diol;] C40H56O4 600.41786 NA metacyc NA NA +MetaCyc03953 capsanthin-5,6-epoxide [] C40H56O4 600.41786 NA metacyc NA NA +MetaCyc03954 9-cis-violaxanthin [9-c-violaxanthin;9cViol;] C40H56O4 600.41786 NA metacyc NA NA +C08585 Capsorubin C40H56O4 600.4179 NA KEGG NA NA +C08606 Neoxanthin C40H56O4 600.4179 NA KEGG NA NA +C08614 Violaxanthin C40H56O4 600.4179 NA KEGG NA NA +C13431 9'-cis-Neoxanthin C40H56O4 600.4179 NA KEGG NA NA +C13432 Transferred to D01942 C40H56O4 600.4179 NA KEGG NA NA +C13433 9-cis-Violaxanthin C40H56O4 600.4179 NA KEGG NA NA +C13434 Transferred to D01943 C40H56O4 600.4179 NA KEGG NA NA +C13435 Transferred to D01944 C40H56O4 600.4179 NA KEGG NA NA +C13436 Transferred to D01945 C40H56O4 600.4179 NA KEGG NA NA +C13437 Transferred to D01946 C40H56O4 600.4179 NA KEGG NA NA +C13438 Transferred to D01947 C40H56O4 600.4179 NA KEGG NA NA +C13439 Transferred to D01948 C40H56O4 600.4179 NA KEGG NA NA +C15932 4-Hydroxymyxol C40H56O4 600.4179 NA KEGG NA NA +C16274 (2S,2'S)-Oscillol C40H56O4 600.4179 NA KEGG NA NA +C16284 Nostoxanthin C40H56O4 600.4179 NA KEGG NA NA +PJ007971 VVKKK C28H56N8O6 600.4323 NA PeJP NA NA +MJ084894 12-Oleanene-3,16,22,28-tetrol, 22-(2-Methylbutanoyl), 16-Ac C37H60O6 600.438989 NA MeJP NA NA +C15905 Hydroxyspheroidenone C41H60O3 600.4542 NA KEGG NA NA +C15906 Glucose-dependent insulinotropic peptide C41H60O3 600.4542 NA KEGG NA NA +MJ084895 24-Ethyl-4,14,24-trimethyl-9,19-cyclocholest-25-en-3-ol, 3-(4-Hydroxyphenyl-2Z-propenoyl) C41H60O3 600.454245 NA MeJP NA NA +MJ084896 Spheroidenone; 1',2'-Dihydro, 1'-hydroxy C41H60O3 600.454245 NA MeJP NA NA +MJ084897 Thiothece-OH 484 C41H60O3 600.454245 NA MeJP NA NA +HMDB07085 DG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C38H64O5 600.475403 NA HMDB2010 NA NA +HMDB07561 DG(20:5(5Z,8Z,11Z,14Z,17Z)/15:0/0:0) C38H64O5 600.475403 NA HMDB2010 NA NA +C15888 3,4,3',4'-Tetrahydrospirilloxanthin C42H64O2 600.4906 NA KEGG NA NA +C15889 Dermaseptin C42H64O2 600.4906 NA KEGG NA NA +C15890 Endomorphin-1 C42H64O2 600.4906 NA KEGG NA NA +C15891 Endomorphin-2 C42H64O2 600.4906 NA KEGG NA NA +MJ084898 1,1',2,2'-Tetrahydro-1,1'-dihydroxylycopene; Di-Me ether C42H64O2 600.490631 NA MeJP NA NA +MJ084899 Methoxyspheroidene C42H64O2 600.490631 NA MeJP NA NA +MJ084900 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, Triacontyl ester C39H68O4 600.51176 NA MeJP NA NA +MJ084901 Norsolanesene C44H72 600.563402 NA MeJP NA NA +7474 coeliac toxic peptide VLKVGGTSDVEV 600.81995 MH2+ Inhouse_peptide NA peptide +MJ084902 7-[2-(2-Amino-5-chlorothiazol-4-yl)-2-(hydroxyimino)acetamido]-3-[3-(aminoethylthiomethyl)pyrid-4-ylthio]-3-cephem-4-carboxylic acid C20H20ClN7O5S4 601.009727 NA MeJP NA NA +C11436 2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol C14H26N3O17P3 601.0475 NA KEGG NA NA +MetaCyc03955 2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol [CDP-ME-2P;CDP-methyl-D-erylthritol 2-phosphate;4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate;4-diphosphocytidyl-2-C-methylerythritol 2-phosphate;] C14H26N3O17P3 601.047506 NA metacyc NA NA +PJ007972 GCCCCN C18H31N7O8S4 601.1117 NA PeJP NA NA +FL7AACGA0006 Cyanidin 3-(2''-galloylgalactoside) C28H25O15 601.11934 142609-12-9 knapsack NA NA +FL7AACGL0028 Cyanidin 3-(2''-galloylglucoside) C28H25O15 601.11934 140447-90-1 knapsack NA NA +PJ007973 CCDMM C20H35N5O8S4 601.1369 NA PeJP NA NA +PJ007974 CCDDF C23H31N5O10S2 601.1513 NA PeJP NA NA +PJ007975 CCCHH C21H31N9O6S3 601.156 NA PeJP NA NA +MJ084903 Aristolactam I; N-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] C32H27NO11 601.15841 NA MeJP NA NA +MJ084904 Ladirubicin C29H31NO11S 601.161781 NA MeJP NA NA +PJ007976 SCDDY C23H31N5O12S 601.169 NA PeJP NA NA +PJ007977 SCMMM C21H39N5O7S4 601.1732 NA PeJP NA NA +PJ007978 GCEMY C24H35N5O9S2 601.1876 NA PeJP NA NA +PJ007979 CNNDH C21H31N9O10S 601.1915 NA PeJP NA NA +PJ007980 SDDEH C22H31N7O13 601.198 NA PeJP NA NA +PJ007981 PCDMH C23H35N7O8S2 601.1989 NA PeJP NA NA +PJ007982 CMYW C28H35N5O6S2 601.2029 NA PeJP NA NA +PJ007983 SSDMY C24H35N5O11S 601.2054 NA PeJP NA NA +PJ007984 ACMMF C25H39N5O6S3 601.2063 NA PeJP NA NA +MJ084905 Ecteinascidin 597; N-De-Me C29H35N3O9S 601.2094 NA MeJP NA NA +PJ007985 GEEMH C23H35N7O10S 601.2166 NA PeJP NA NA +PJ007986 GGGPPCD C23H35N7O10S 601.2167 NA PeJP NA NA +PJ007987 GPCYY C28H35N5O8S 601.2207 NA PeJP NA NA +PJ007988 GTMMY C25H39N5O8S2 601.224 NA PeJP NA NA +PJ007989 SNNMH C22H35N9O9S 601.2279 NA PeJP NA NA +PJ007990 EMHW C27H35N7O7S 601.2319 NA PeJP NA NA +PJ007991 STEEH C23H35N7O12 601.2344 NA PeJP NA NA +MJ084906 5,6-Didehydrocalotropin 3'-thiazolidinone C31H39NO9S 601.234552 NA MeJP NA NA +MJ084907 Uscharin; 3'-Oxo, 5,6-didehydro, 3',4'-dihydro C31H39NO9S 601.234552 NA MeJP NA NA +PJ007992 SPMMH C24H39N7O7S2 601.2353 NA PeJP NA NA +PJ007993 GDHHH C24H31N11O8 601.2357 NA PeJP NA NA +PJ007994 CFFW C32H35N5O5S 601.2359 NA PeJP NA NA +PJ007995 QEYY C28H35N5O10 601.2384 NA PeJP NA NA +PJ007996 STTMY C25H39N5O10S 601.2418 NA PeJP NA NA +PJ007997 GSSSQH C22H35N9O11 601.2456 NA PeJP NA NA +PJ007998 GGGGGGGSP C22H35N9O11 601.2457 NA PeJP NA NA +PJ007999 SPDHF C27H35N7O9 601.2496 NA PeJP NA NA +PJ008000 GPNEW C27H35N7O9 601.2497 NA PeJP NA NA +PJ008001 SVEMH C24H39N7O9S 601.253 NA PeJP NA NA +PJ008002 AYYW C32H35N5O7 601.2537 NA PeJP NA NA +PJ008003 AAMFY C29H39N5O7S 601.257 NA PeJP NA NA +MJ084908 4-[[1-[[4-(Aminoiminomethyl)phenyl]methyl]-2-oxo-2-(1-piperidinyl)ethyl]amino]-3-[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]-4-oxobutanoic acid C29H39N5O7S 601.257019 NA MeJP NA NA +PJ008004 PVEEE C25H39N5O12 601.2596 NA PeJP NA NA +PJ008005 GNQHF C26H35N9O8 601.2609 NA PeJP NA NA +PJ008006 SCQKH C23H39N9O8S 601.2642 NA PeJP NA NA +PJ008007 GGTCKH C23H39N9O8S 601.2643 NA PeJP NA NA +PJ008008 PNWW C31H35N7O6 601.2649 NA PeJP NA NA +PJ008009 APMHF C28H39N7O6S 601.2683 NA PeJP NA NA +3275 NA RGDSPA 601.2699 celiac toxic Inhouse_peptide NA peptide +PJ008010 PNDKE C24H39N7O11 601.2708 NA PeJP NA NA +PJ008011 ALMMH C25H43N7O6S2 601.2716 NA PeJP NA NA +PJ008012 VCLMH C25H43N7O6S2 601.2717 NA PeJP NA NA +PJ008013 ATHHH C25H35N11O7 601.2721 NA PeJP NA NA +PJ008014 KEYY C29H39N5O9 601.2748 NA PeJP NA NA +PJ008015 SPNER C23H39N9O10 601.282 NA PeJP NA NA +PJ008016 GPDKW C28H39N7O8 601.286 NA PeJP NA NA +MJ084909 4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O6,O16,O18,N-Tetra-Me, 14-benzoyl, 8-Ac C32H43NO10 601.288696 NA MeJP NA NA +PJ008017 TTLMH C25H43N7O8S 601.2894 NA PeJP NA NA +PJ008018 AAFFF C33H39N5O6 601.2901 NA PeJP NA NA +PJ008019 GNQQR C22H39N11O9 601.2932 NA PeJP NA NA +PJ008020 GGGQQR C22H39N11O9 601.2933 NA PeJP NA NA +MJ084910 Penitrem C C37H44ClNO4 601.295886 NA MeJP NA NA +PJ008021 GSPRW C27H39N9O7 601.2973 NA PeJP NA NA +7025 synthetic peptide from alpha-gliadin SQCQAIHNVVHA 601.30045 MH2+ Inhouse_peptide NA peptide +PJ008022 APQMR C24H43N9O7S 601.3006 NA PeJP NA NA +PJ008023 GAAPMR C24H43N9O7S 601.3007 NA PeJP NA NA +PJ008024 LHFW C32H39N7O5 601.3013 NA PeJP NA NA +PJ008025 PTQKE C25H43N7O10 601.3072 NA PeJP NA NA +PJ008026 PPLEF C30H43N5O8 601.3112 NA PeJP NA NA +PJ008027 APCRR C23H43N11O6S 601.3119 NA PeJP NA NA +7678 ACE inhibitor from dried bonito LKPMN 601.3133 antioxidative Inhouse_peptide NA peptide +MJ084911 Antibiotic BE 19093 C27H47N5O8S 601.314534 NA MeJP NA NA +MJ084912 Matlystatin A1 C27H47N5O8S 601.314534 NA MeJP NA NA +PJ008028 PLLEM C27H47N5O8S 601.3146 NA PeJP NA NA +PJ008029 GLQER C24H43N9O9 601.3184 NA PeJP NA NA +PJ008030 APTKW C29H43N7O7 601.3224 NA PeJP NA NA +MJ084913 4-Methylaconitane-1,3,6,8,14,16,18-heptol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-(4-Methoxybenzoyl) C33H47NO9 601.325082 NA MeJP NA NA +MJ084914 4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O1,O6,O8,O16,O18-Penta-Me, N-Et, 14-benzoyl C33H47NO9 601.325082 NA MeJP NA NA +PJ008031 PVQKM C26H47N7O7S 601.3258 NA PeJP NA NA +PJ008032 AAERR C23H43N11O8 601.3296 NA PeJP NA NA +PJ008033 GGGGAKR C23H43N11O8 601.3297 NA PeJP NA NA +PJ008034 VLLEE C27H47N5O10 601.3323 NA PeJP NA NA +MJ084915 Pyroglutamylleucylglycylargininylphenylalaninamide C28H43N9O6 601.33363 NA MeJP NA NA +PJ008035 LQRW C28H43N9O6 601.3337 NA PeJP NA NA +2629 synthetic fr,of human beta-CN (48-52) ACE inhibitor PLIYP 601.335 NA Inhouse_peptide NA peptide +PJ008036 APKMR C25H47N9O6S 601.337 NA PeJP NA NA +EUR768 Lyso PC 20:5 [M-H+acetate]- C28H48NO7P 601.337942 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR768 Lyso PC 20:5 [M-H+acetate]- C28H48NO7P 601.337942 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR768 Lyso PC 20:5 [M-H+acetate]- C28H48NO7P 601.337942 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR768 Lyso PC 20:5 [M-H+acetate]- C28H48NO7P 601.337942 masses lipides attendues Inhousejuil11 NA NA +MJ084916 Penitremone C; 23,24-Epoxide C37H47NO6 601.340338 NA MeJP NA NA +MJ084917 Shearinine C; 1'-Deoxy, 1',2'-didehydro, 3?-alcohol C37H47NO6 601.340338 NA MeJP NA NA +PJ008037 DRRR C22H43N13O7 601.3409 NA PeJP NA NA +PJ008038 PTKKE C26H47N7O9 601.3435 NA PeJP NA NA +PJ008039 VVQKE C26H47N7O9 601.3436 NA PeJP NA NA +PJ008040 PPLLY C31H47N5O7 601.3476 NA PeJP NA NA +MJ084918 Toxiferine XII C39H46N4O2(+) 601.354251 NA MeJP NA NA +PJ008041 GLKER C25H47N9O8 601.3548 NA PeJP NA NA +MJ084919 Glycylalanylprolylmethionylphenylalanylvalinamide; 4-L-Leucine analogue C30H47N7O6 601.358782 NA MeJP NA NA +PJ008042 GVLKW C30H47N7O6 601.3588 NA PeJP NA NA +PJ008043 PVKKM C27H51N7O6S 601.3622 NA PeJP NA NA +PJ008044 GTLRR C24H47N11O7 601.366 NA PeJP NA NA +PJ008045 LKRW C29H47N9O5 601.37 NA PeJP NA NA +PJ008046 VVKKE C27H51N7O8 601.3799 NA PeJP NA NA +PJ008047 PLLLF C32H51N5O6 601.384 NA PeJP NA NA +PJ008048 LLLLM C29H55N5O6S 601.3873 NA PeJP NA NA +PJ008049 SVLKR C26H51N9O7 601.3912 NA PeJP NA NA +EUR770 Lyso PC 22:0 [M+Na]+ C30H62NO7P 601.408338 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR770 Lyso PC 22:0 [M+Na]+ C30H62NO7P 601.408338 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR770 Lyso PC 22:0 [M+Na]+ C30H62NO7P 601.408338 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR770 Lyso PC 22:0 [M+Na]+ C30H62NO7P 601.408338 masses lipides attendues Inhousejuil11 NA NA +PJ008050 TLLKK C28H55N7O7 601.4163 NA PeJP NA NA +PJ008051 AKKKK C27H55N9O6 601.4276 NA PeJP NA NA +8091 peptide derived from bovine aS2-casein NIQFNEQKAL 601.8054 MH2+ Inhouse_peptide NA peptide +MJ084920 Aplysillin A C16H12Br2O11S2 601.818777 NA MeJP NA NA +MJ084921 Hydrotalcite CH24Al2Mg6O23 601.944165 NA MeJP NA NA +MJ084922 Bis(?-acetato-O,O)bis(2-formylpyridine thiosemicarbazonato-N,N',S)dicopper(II) C18H20Cu2N8O4S2 601.964094 NA MeJP NA NA +C10242 Terminalin C28H10O16 601.9969 NA KEGG NA NA +MJ084923 Fazadinium(2+); Dibromide C28H24Br2N6 602.04292 NA MeJP NA NA +MJ084924 2,3,4-Trihydroxybutanoic acid, 4-O-(3,4-Dihydroxy-E-cinnamoyl), 2,3-bis-O-(3,4,5-trihydroxybenzoyl) C27H22O16 602.090783999999 NA MeJP NA NA +PJ008052 GCCCCD C18H30N6O9S4 602.0957 NA PeJP NA NA +MJ084925 Vitisidin A; 3-O-(O-Acetyl-?-D-glucopyranoside) C28H27O15(+) 602.12717 NA MeJP NA NA +FL2FACGS0019 (2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside) C28H26O15 602.12717 467437-60-1 knapsack NA NA +PJ008053 GSCCCM C19H34N6O8S4 602.1321 NA PeJP NA NA +MJ084926 Erythritol; Tetrakis(4-hydroxybenzoyl) C32H26O12 602.142426 NA MeJP NA NA +PJ008054 SSTCCC C19H34N6O10S3 602.1499 NA PeJP NA NA +MJ084927 3,4',5,7-Tetrahydroxy-8-prenylflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) C29H30O14 602.163555 NA MeJP NA NA +MJ084928 Swertiamarin; 2'-O-(3,3',5-Trihydroxy-2-biphenylcarbonyl) C29H30O14 602.163555 NA MeJP NA NA +C17519 Amaroswerin C29H30O14 602.1636 NA KEGG NA NA +PJ008055 CCCQF C23H34N6O7S3 602.1651 NA PeJP NA NA +MJ084929 2-Hydroxy-1,2,4-butanetricarboxylic acid, O-[?-D-Ribofuranosyl-(1?2)-?-D-ribofuranosyl-(1?3)-?-D-ribofuranoside] C22H34O19 602.169428 NA MeJP NA NA +PJ008056 CNDDH C21H30N8O11S 602.1755 NA PeJP NA NA +MJ084930 Dermocanarin 8 C33H30O11 602.178811 NA MeJP NA NA +PJ008057 SCCQY C23H34N6O9S2 602.1829 NA PeJP NA NA +PJ008058 GSPCCH C22H34N8O8S2 602.1941 NA PeJP NA NA +MJ084931 Picrotoxinin; Compd. with picrotin (1:1) C30H34O13 602.199941 NA MeJP NA NA +PJ008059 GSSSCY C23H34N6O11S 602.2006 NA PeJP NA NA +PJ008060 GPPCDD C23H34N6O11S 602.2007 NA PeJP NA NA +PJ008061 CCCKF C24H38N6O6S3 602.2015 NA PeJP NA NA +MJ084932 Tipranavir C31H33F3N2O5S 602.206227 NA MeJP NA NA +C05928 10-Formyltetrahydrofolyl L-glutamate C25H30N8O10 602.2085 NA KEGG NA NA +C05929 10-Formyltetrahydrofolylpolyglutamate C25H30N8O10 602.2085 NA KEGG NA NA +C05930 Poly-L-glutamate C10H16N2O7 602.2085 NA KEGG NA NA +PJ008062 SNDMH C22H34N8O10S 602.2119 NA PeJP NA NA +MJ084933 20-Chloro-7,8:17,18-diepoxy-10(17),13-xenicadiene-1,6,11,12,18,19-hexol; 11,12,18,19-Tetra-Ac C28H39ClO12 602.213004 NA MeJP NA NA +MJ084934 12-Hydroxydaphnetoxin; 12?-form, 12-Benzoyl C34H34O10 602.215197 NA MeJP NA NA +MJ084935 Singueanol I C34H34O10 602.215197 NA MeJP NA NA +PJ008063 GCNFY C27H34N6O8S 602.2159 NA PeJP NA NA +PJ008064 PNDEE C23H34N6O13 602.2184 NA PeJP NA NA +PJ008065 SCCKY C24H38N6O8S2 602.2193 NA PeJP NA NA +MJ084936 Frameroside C27H38O15 602.22107 NA MeJP NA NA +MJ084937 Mexoticin, 3'-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C27H38O15 602.22107 NA MeJP NA NA +PJ008066 EEYY C28H34N4O11 602.2224 NA PeJP NA NA +PJ008067 GTCHW C26H34N8O7S 602.2271 NA PeJP NA NA +PJ008068 GSSSEH C22H34N8O12 602.2296 NA PeJP NA NA +PJ008069 GGGSPND C22H34N8O12 602.2297 NA PeJP NA NA +PJ008070 GQMMH C23H38N8O7S2 602.2305 NA PeJP NA NA +PJ008071 GPDEW C27H34N6O10 602.2337 NA PeJP NA NA +FL2F9AGI0001 5,4'-Dihydroxy-6-C-prenylflavanone 4'-xylosyl-(1->2)-rhamnoside C31H38O12 602.23632 316363-85-6 knapsack NA NA +MJ084938 5,20-Epoxy-1,2,4,7,10,13,19-heptahydroxy-11-taxen-9-one, 2-Benzoyl, 4,10-di-Ac C31H38O12 602.236326 NA MeJP NA NA +PJ008072 GSPPDM C24H38N6O10S 602.237 NA PeJP NA NA +PJ008073 NNNNQ C21H34N10O11 602.2409 NA PeJP NA NA +MJ084939 Glycobismine A C37H34N2O6 602.241686 NA MeJP NA NA +C10685 Glycobismine A C37H34N2O6 602.2417 NA KEGG NA NA +PJ008074 GCMHR C22H38N10O6S2 602.2418 NA PeJP NA NA +PJ008075 SSSHW C26H34N8O9 602.2449 NA PeJP NA NA +PJ008076 STQMH C23H38N8O9S 602.2483 NA PeJP NA NA +PJ008077 PDWW C31H34N6O7 602.2489 NA PeJP NA NA +PJ008078 PPTCW C28H38N6O7S 602.2523 NA PeJP NA NA +PJ008079 PTQEE C24H38N6O12 602.2548 NA PeJP NA NA +PJ008080 PPQMM C25H42N6O7S2 602.2557 NA PeJP NA NA +MJ084940 Lymecycline C29H38N4O10 602.258793 NA MeJP NA NA +PJ008081 STCHR C22H38N10O8S 602.2595 NA PeJP NA NA +PJ008082 NHFW C30H34N8O6 602.2602 NA PeJP NA NA +MJ084941 Araliopdimerine A C34H38N2O8 602.262816 NA MeJP NA NA +MJ084942 Paraensidimerine A; 1,2,10,11-Tetramethoxy C34H38N2O8 602.262816 NA MeJP NA NA +MJ084943 Paraensidimerine A; 16a-Epimer, 1,2,10,11-tetramethoxy C34H38N2O8 602.262816 NA MeJP NA NA +MJ084944 Vepridimerine C C34H38N2O8 602.262816 NA MeJP NA NA +MJ084945 Vincamajine; 10-Hydroxy, O-(3,4,5-trimethoxycinnamoyl) C34H38N2O8 602.262816 NA MeJP NA NA +PJ008083 SPDER C23H38N8O11 602.266 NA PeJP NA NA +PJ008084 GGGGGGLE C23H38N8O11 602.2661 NA PeJP NA NA +PJ008085 PPCMR C24H42N8O6S2 602.2669 NA PeJP NA NA +MJ084946 Copper tetramibi tetrafluoroborate C24H44BCuF4N4O4 602.268775 NA MeJP NA NA +PJ008086 APTEW C28H38N6O9 602.27 NA PeJP NA NA +PJ008087 SPVDW C28H38N6O9 602.2701 NA PeJP NA NA +MJ084947 Amoorastatone; 12?-Hydroxy, 29-(2-methylpropanoyl) C32H42O11 602.272712 NA MeJP NA NA +MJ084948 Buchaninoside C32H42O11 602.272712 NA MeJP NA NA +MJ084949 Khivorin; 11?-Hydroxy C32H42O11 602.272712 NA MeJP NA NA +MJ084950 Taccalonolide G C32H42O11 602.272712 NA MeJP NA NA +MJ084951 Trichilin B; 12-Deoxy, 2-O-de-Ac, 29-deacyl, 29-(2-methylpropenoyl) C32H42O11 602.272712 NA MeJP NA NA +MJ084952 Volkensinin C32H42O11 602.272712 NA MeJP NA NA +PJ008088 PVQEM C25H42N6O9S 602.2734 NA PeJP NA NA +PJ008089 GNQER C22H38N10O10 602.2773 NA PeJP NA NA +PJ008090 AAQQW C27H38N8O8 602.2813 NA PeJP NA NA +MJ084953 15-Anhydrothyrsiferol; ?15(28)-Isomer, 16?-hydroxy C30H51BrO7 602.281816 NA MeJP NA NA +MJ084954 Callicladol C30H51BrO7 602.281816 NA MeJP NA NA +PJ008091 STKMH C24H42N8O8S 602.2846 NA PeJP NA NA +PJ008092 APEMR C24H42N8O8S 602.2847 NA PeJP NA NA +PJ008093 GPPFW C32H38N6O6 602.2853 NA PeJP NA NA +MJ084955 Ohchinin C36H42O8 602.287968 NA MeJP NA NA +MJ084956 Sarothralin G C36H42O8 602.287968 NA MeJP NA NA +PJ008094 GPLMW C29H42N6O6S 602.2887 NA PeJP NA NA +PJ008095 PTKEE C25H42N6O11 602.2912 NA PeJP NA NA +PJ008096 PPKMM C26H46N6O6S2 602.2921 NA PeJP NA NA +PJ008097 NQRW C26H38N10O7 602.2925 NA PeJP NA NA +8278 Antioxidative peptide VPYPQ 602.293 NA ;SYN:(+-)-5-Hydroxytryptophan; (S)-5-Hydroxytryptophan; 5-hydroxy-L-Tryptophan; 5-Hydroxy-tryptophan; 5-Hydroxyl-L-tryptophan; 5-Hydroxytryptophan; 5-Hydroxytryptophan L form; 5-Hydroxytryptophan L-form; Cincofarm; Hydroxytryptophan; Levothym; Levotinine; Oxitriptan; Oxyfan; Oxytryptophan; Pretonine; Quietim; Serotonyl; Telesol; Triptene; L-5-HydroxytryptophanH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ008098 GLEER C24H42N8O10 602.3024 NA PeJP NA NA +PJ008099 GPHHR C25H38N12O6 602.3038 NA PeJP NA NA +PJ008100 GVLEW C29H42N6O8 602.3064 NA PeJP NA NA +MJ084957 7-Hydroperoxy-4,9,12,13,20-pentahydroxy-1,5-tigliadien-3-one, 12-(2,4-Undecadienoyl), 13-Ac C33H46O10 602.309097 NA MeJP NA NA +MJ084958 Cleoamblynol A; 15?-Acetoxy C33H46O10 602.309097 NA MeJP NA NA +MJ084959 Cleoamblynol A; 7?-Acetoxy C33H46O10 602.309097 NA MeJP NA NA +PJ008101 PVKEM C26H46N6O8S 602.3098 NA PeJP NA NA +MJ084960 Trapoxin A C34H42N4O6 602.310435 NA MeJP NA NA +PJ008102 GNKER C23H42N10O9 602.3136 NA PeJP NA NA +PJ008103 GGGKER C23H42N10O9 602.3137 NA PeJP NA NA +MJ084961 Asterriquinone D; 7',7''-Bis(3-methyl-2-butenyl), 2'-(1,1-dimethyl-2-propenyl) C39H42N2O4 602.314457 NA MeJP NA NA +MJ084962 Asterriquinone D; 7'-(3-Methyl-2-butenyl), 2',2''-bis(1,1-dimethyl-2-propenyl) C39H42N2O4 602.314457 NA MeJP NA NA +PJ008104 LERW C28H42N8O7 602.3177 NA PeJP NA NA +PJ008105 SPLMR C25H46N8O7S 602.321 NA PeJP NA NA +PJ008106 GAPCKK C25H46N8O7S 602.3211 NA PeJP NA NA +PJ008107 VLWW C33H42N6O5 602.3217 NA PeJP NA NA +PJ008108 GSQRR C22H42N12O8 602.3249 NA PeJP NA NA +MJ084963 Matopensine; 18,18'-Dihydroxy C38H42N4O3 602.325691 NA MeJP NA NA +PJ008109 VVKEE C26H46N6O10 602.3276 NA PeJP NA NA +PJ008110 NKRW C27H42N10O6 602.3289 NA PeJP NA NA +PJ008111 SVLER C25H46N8O9 602.3388 NA PeJP NA NA +PJ008112 ATLLW C30H46N6O7 602.3428 NA PeJP NA NA +MJ084964 5,6,14,17,20-Pentahydroxy-1-oxowitha-2,24-dienolide, 5-Butyl ether, 6-Ac C34H50O9 602.345483 NA MeJP NA NA +MJ084965 Prohuratoxin C34H50O9 602.345483 NA MeJP NA NA +MJ084966 Resiniferonol; 5?-Hydroxy, 6?,7?-epoxide, 14-(2E,4E-tetradecadienoyl) C34H50O9 602.345483 NA MeJP NA NA +C11956 Avermectin A2b aglycone C34H50O9 602.3455 NA KEGG NA NA +C11971 Avermectin B2a aglycone C34H50O9 602.3455 NA KEGG NA NA +PJ008113 VLLQM C27H50N6O7S 602.3462 NA PeJP NA NA +MJ084967 Beauverolide Ja C35H46N4O5 602.34682 NA MeJP NA NA +PJ008114 GDKKR C24H46N10O8 602.35 NA PeJP NA NA +PJ008115 AAKKW C29H46N8O6 602.3541 NA PeJP NA NA +PJ008116 ALLMR C26H50N8O6S 602.3574 NA PeJP NA NA +C09929 Garcinol C38H50O6 602.3607 NA KEGG NA NA +C09979 Xanthochymol C38H50O6 602.3607 NA KEGG NA NA +MJ084968 Guttiferone A C38H50O6 602.360739 NA MeJP NA NA +MJ084969 Guttiferone E C38H50O6 602.360739 NA MeJP NA NA +PJ008117 GSKRR C23H46N12O7 602.3613 NA PeJP NA NA +MJ084970 Kopsia Alkaloid dimer C39H46N4O2 602.362076 NA MeJP NA NA +MJ084971 Tabernamine; N4-De-Me C39H46N4O2 602.362076 NA MeJP NA NA +PJ008118 TLLKE C27H50N6O9 602.3639 NA PeJP NA NA +PJ008119 GSTLLL C27H50N6O9 602.364 NA PeJP NA NA +PJ008120 TTLLR C26H50N8O8 602.3752 NA PeJP NA NA +PJ008121 PVLKF C31H50N6O6 602.3792 NA PeJP NA NA +MJ084972 Tetronasin C35H53O8(-) 602.381868 NA MeJP NA NA +MJ084973 18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 2-Undecanoyl, 18,19-di-Ac C35H54O8 602.381868 NA MeJP NA NA +MJ084974 25-Anhydrocimigenol; 3-O-?-D-Xylopyranoside C35H54O8 602.381868 NA MeJP NA NA +MJ084975 3,7,15,22-Tetrahydroxylanosta-8,24-dien-26-oic acid, 3,22-Di-Ac, 7-Me ether C35H54O8 602.381868 NA MeJP NA NA +MJ084976 3-Hydroxy-28-norolean-12-en-16-one, 3-O-?-D-Glucuronopyranoside C35H54O8 602.381868 NA MeJP NA NA +MJ084977 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-Decanoyl, 13-(2-methylbutanoyl) C35H54O8 602.381868 NA MeJP NA NA +MJ084978 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Decanoyl, 12-(2S-methylbutanoyl) C35H54O8 602.381868 NA MeJP NA NA +MJ084979 Antibiotic PF 1032B C35H54O8 602.381868 NA MeJP NA NA +MJ084980 Cimigenol; 25-Deoxy, 25,26-didehydro, 3-O-?-D-xylopyranoside C35H54O8 602.381868 NA MeJP NA NA +MJ084981 Gentinone A; Deepoxy, 24R,25-dihydroxy C35H54O8 602.381868 NA MeJP NA NA +MJ084982 ?-Ilexanolic acid; 3-O-?-L-Arabinopyranoside C35H54O8 602.381868 NA MeJP NA NA +PJ008122 VLLKM C28H54N6O6S 602.3826 NA PeJP NA NA +PJ008123 ATKKR C25H50N10O7 602.3864 NA PeJP NA NA +MJ084983 12-Oleanene-3,28-diol, 28-Aldehyde, 3-(3,4-dihydroxycinnamoyl)(E-) C39H54O5 602.397124 NA MeJP NA NA +MJ084984 20(29)-Lupene-3,28-diol, 28-O-Aldehyde, 3-O-(3,4-dihydroxycinnamoyl) C39H54O5 602.397124 NA MeJP NA NA +MJ084985 3,21-Dihydroxy-12-oleanen-28-oic acid, 21-Cinnamoyl C39H54O5 602.397124 NA MeJP NA NA +MJ084986 3-Hydroxy-12-oleanen-28-oic acid, 3-O-(4-Hydroxycinnamoyl)(E-) C39H54O5 602.397124 NA MeJP NA NA +MJ084987 3-Hydroxy-12-oleanen-28-oic acid, 3-O-(4-Hydroxycinnamoyl)(Z-) C39H54O5 602.397124 NA MeJP NA NA +MJ084988 3-Hydroxy-12-ursen-28-oic acid, 3-(4-Hydroxycinnamoyl) C39H54O5 602.397124 NA MeJP NA NA +MJ084989 3-Hydroxy-14-taraxeren-28-oic acid, 3-(4-Hydroxycinnamoyl)(E-) C39H54O5 602.397124 NA MeJP NA NA +MJ084990 Octoxinol 9 C32H58O10 602.402998 NA MeJP NA NA +PJ008124 SLKKK C27H54N8O7 602.4116 NA PeJP NA NA +MJ084991 11,13(18)-Oleanadiene-3,22-diol, 3-O-?-D-Glucopyranoside C36H58O7 602.418254 NA MeJP NA NA +MJ084992 17,24:20,24-Diepoxydammarane-3,12,25-triol, 25-Et ether, 3,12-di-Ac C36H58O7 602.418254 NA MeJP NA NA +MJ084993 17-Hydroxyingenol; 20-Hexadecanoyl C36H58O7 602.418254 NA MeJP NA NA +MJ084994 21,23-Epoxy-4,7-dihydroxy-3,4-secoapotirucalla-14,24-dien-3-oic acid, 7-(2R-Hydroxy-3R-methylpentanoyl) C36H58O7 602.418254 NA MeJP NA NA +MJ084995 3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-?-L-Rhamnopyranoside C36H58O7 602.418254 NA MeJP NA NA +MJ084996 4,9,13,16,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Hexadecanoyl C36H58O7 602.418254 NA MeJP NA NA +MJ084997 5,6-Dihydro-?,?-carotene-3,3',5,6-tetrol C40H58O4 602.43351 NA MeJP NA NA +MJ084998 5,6-Dihydro-?,?-carotene-3,3',5,6-tetrol C40H58O4 602.43351 NA MeJP NA NA +MJ084999 Cycloart-24-en-3-ol, 3-(4-Hydroxy-3-methoxycinnamoyl) C40H58O4 602.43351 NA MeJP NA NA +MJ085000 Cycloeucalenol; 3-O-(4-Hydroxy-3-methoxycinnamoyl) (E-) C40H58O4 602.43351 NA MeJP NA NA +MJ085001 4,12,20,24,26,28-Hexahydroxy-2,10,18-tritriacontanetrione C33H62O9 602.439383 NA MeJP NA NA +MJ085002 2-Polyprenyl-1,4-benzenediol; 2-Heptaprenyl-1,4-benzenediol, 29-Hydroxy C41H62O3 602.469895 NA MeJP NA NA +MJ085003 Rg keto VII C41H62O3 602.469895 NA MeJP NA NA +MJ085004 Stigmast-5-ene-3,7-diol, 7-Ketone, 3-(4-pentylbenzoyl) C41H62O3 602.469895 NA MeJP NA NA +MJ085005 1,3,27-Octacosanetriol, 27-Ketone, 1-O-?-D-glucopyranoside C34H66O8 602.475769 NA MeJP NA NA +MJ085006 1,3,27-Octacosanetriol, 3-Ketone, 1-O-?-D-galactopyranoside C34H66O8 602.475769 NA MeJP NA NA +MJ085007 1,3,27-Octacosanetriol, 3-Ketone, 1-O-?-D-glucopyranoside C34H66O8 602.475769 NA MeJP NA NA +C07554 Pipecuronium C35H62N4O4 602.4771 NA KEGG NA NA +MJ085008 1(19),7,10,12-Xenecatetraene-6,14,17,18-tetrol, 17-Octadecanoyl C38H66O5 602.491025 NA MeJP NA NA +HMDB07083 DG(15:0/20:4(5Z,8Z,11Z,14Z)/0:0) C38H66O5 602.491028 NA HMDB2010 NA NA +HMDB07084 DG(15:0/20:4(8Z,11Z,14Z,17Z)/0:0) C38H66O5 602.491028 NA HMDB2010 NA NA +HMDB07503 DG(20:4(5Z,8Z,11Z,14Z)/15:0/0:0) C38H66O5 602.491028 NA HMDB2010 NA NA +HMDB07532 DG(20:4(8Z,11Z,14Z,17Z)/15:0/0:0) C38H66O5 602.491028 NA HMDB2010 NA NA +MJ085009 1,1',2,2',7,8-Hexahydro-?,?-carotene-1,1'-diol; Di-Me ether C42H66O2 602.506281 NA MeJP NA NA +MJ085010 Bombiprenone C43H70O 602.542666 NA MeJP NA NA +MJ085011 Guanosine 3',5'-bis(diphosphate) C10H17N5O17P4 602.95699 NA MeJP NA NA +MetaCyc03956 guanosine tetraphosphate [] C10H17N5O17P4 602.95699 33503-72-9 metacyc NA NA +MetaCyc03957 guanosine 5'-diphosphate,3'-diphosphate [guanosine tetraphosphate;ppGpp;guanosine 3',5'-bispyrophosphate;guanosine 3',5'-bis(diphosphate);Guanosine 3'-diphosphate 5'-diphosphate;] C10H17N5O17P4 602.95699 NA metacyc NA NA +C01228 Guanosine 3',5'-bis(diphosphate) C10H17N5O17P4 602.957 NA KEGG NA NA +C01229 Phospholipid olefinic fatty acid C14H22O8PR3 602.957 NA KEGG NA NA +EUR310 Nicotinamide adenine di nucleotide phosphate F3 F3 603.017375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR310 Nicotinamide adenine di nucleotide phosphate F3 NA 603.017375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR310 Nicotinamide adenine di nucleotide phosphate F3 F3 603.017375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR310 Nicotinamide adenine di nucleotide phosphate F3 NA 603.017375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR310 Nicotinamide adenine di nucleotide phosphate F3 F3 603.017375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR310 Nicotinamide adenine di nucleotide phosphate F3 NA 603.017375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR310 Nicotinamide adenine di nucleotide phosphate F3 F3 603.017375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR310 Nicotinamide adénine di nucléotide phosphate F3 F3 603.017375 standards wishlist analysés sur QTOF HMDB NA NA +EUR310 Nicotinamide adenine di nucleotide phosphate F3 F3 603.017375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR310 Nicotinamide adenine di nucleotide phosphate F3 NA 603.017375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR310 Nicotinamide adenine di nucleotide phosphate F3 F3 603.017375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR310 Nicotinamide adenine di nucleotide phosphate F3 F3 603.017375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +FL7ARXGL0002 5-Carboxypyranocyanidin 3-O-(6''-O-malonyl-beta-glucopyranoside) C27H23O16 603.0986 566942-53-8 knapsack NA NA +PJ008125 CCCEF C23H33N5O8S3 603.1492 NA PeJP NA NA +PJ008126 CDDDH C21H29N7O12S 603.1595 NA PeJP NA NA +PJ008127 SCCEY C23H33N5O10S2 603.1669 NA PeJP NA NA +MJ085012 1,2,9-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Di-Me ether, N-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl] C32H29NO11 603.17406 NA MeJP NA NA +PJ008128 GCMMY C24H37N5O7S3 603.1855 NA PeJP NA NA +PJ008129 CCNQH C21H33N9O8S2 603.1894 NA PeJP NA NA +PJ008130 SDDMH C22H33N7O11S 603.1959 NA PeJP NA NA +MJ085013 Draflazine C30H33Cl2F2N5O2 603.197937 NA MeJP NA NA +PJ008131 GCDFY C27H33N5O9S 603.1999 NA PeJP NA NA +PJ008132 PDDEE C23H33N5O14 603.2024 NA PeJP NA NA +PJ008133 STCMY C24H37N5O9S2 603.2033 NA PeJP NA NA +PJ008134 GSSCNH C21H33N9O10S 603.2071 NA PeJP NA NA +PJ008135 GSPNDD C22H33N7O13 603.2137 NA PeJP NA NA +PJ008136 GEMMH C23H37N7O8S2 603.2145 NA PeJP NA NA +PJ008137 GSDYY C27H33N5O11 603.2177 NA PeJP NA NA +PJ008138 GCMFF C28H37N5O6S2 603.2185 NA PeJP NA NA +PJ008139 NNNNE C21H33N9O12 603.2249 NA PeJP NA NA +PJ008140 CCNKH C22H37N9O7S2 603.2258 NA PeJP NA NA +PJ008141 GDEHF C26H33N7O10 603.2289 NA PeJP NA NA +PJ008142 MMHW C27H37N7O5S2 603.2298 NA PeJP NA NA +PJ008143 STEMH C23H37N7O10S 603.2323 NA PeJP NA NA +PJ008144 ACHHH C24H33N11O6S 603.2336 NA PeJP NA NA +PJ008145 QMYY C28H37N5O8S 603.2363 NA PeJP NA NA +PJ008146 PTEEE C24H37N5O13 603.2388 NA PeJP NA NA +PJ008147 PPEMM C25H41N5O8S2 603.2397 NA PeJP NA NA +PJ008148 GNNNW C25H33N9O9 603.2401 NA PeJP NA NA +PJ008149 GGGNNW C25H33N9O9 603.2402 NA PeJP NA NA +PJ008150 PCNDR C22H37N9O9S 603.2435 NA PeJP NA NA +PJ008151 DHFW C30H33N7O7 603.2442 NA PeJP NA NA +MJ085014 TSAO-T; N3-Me C25H45N3O8SSi2 603.246589 NA MeJP NA NA +PJ008152 GPNMW C27H37N7O7S 603.2475 NA PeJP NA NA +PJ008153 GGGPMW C27H37N7O7S 603.2476 NA PeJP NA NA +PJ008154 AQQEE C23H37N7O12 603.25 NA PeJP NA NA +PJ008155 GAAQEE C23H37N7O12 603.2501 NA PeJP NA NA +MJ085015 Uscharin; 16?-Hydroxy C31H41NO9S 603.250202 NA MeJP NA NA +MJ085016 Uscharin; 17-Epimer, 17-Hydroxy C31H41NO9S 603.250202 NA MeJP NA NA +PJ008156 SVMMH C24H41N7O7S2 603.2509 NA PeJP NA NA +PJ008157 SSHHH C24H33N11O8 603.2514 NA PeJP NA NA +PJ008158 ASTYY C28H37N5O10 603.254 NA PeJP NA NA +PJ008159 GTTYY C28H37N5O10 603.2541 NA PeJP NA NA +PJ008160 PVEEM C25H41N5O10S 603.2574 NA PeJP NA NA +PJ008161 GNEER C22H37N9O11 603.2613 NA PeJP NA NA +PJ008162 AAQEW C27H37N7O9 603.2653 NA PeJP NA NA +MJ085017 4-Methylaconitane-1,6,8,10,13,14,15,16,18-nonol, O6,O16,O18-Tri-Me, 14-benzoyl, 8-Ac C31H41NO11 603.267961 NA MeJP NA NA +MJ085018 Hordenine; O-[6-O-Cinnamoyl-?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranoside] C31H41NO11 603.267961 NA MeJP NA NA +PJ008163 PNDKM C24H41N7O9S 603.2687 NA PeJP NA NA +PJ008164 QFFY C32H37N5O7 603.2693 NA PeJP NA NA +PJ008165 SNNNR C21H37N11O10 603.2725 NA PeJP NA NA +PJ008166 KMYY C29H41N5O7S 603.2727 NA PeJP NA NA +PJ008167 VVEEE C25H41N5O12 603.2752 NA PeJP NA NA +PJ008168 NERW C26H37N9O8 603.2765 NA PeJP NA NA +PJ008169 SPNMR C23H41N9O8S 603.2799 NA PeJP NA NA +PJ008170 VNWW C31H37N7O6 603.2805 NA PeJP NA NA +PJ008171 GGVWW C31H37N7O6 603.2806 NA PeJP NA NA +C11365 CPT-11 carboxylate form C33H39N4O7 603.2819 NA KEGG NA NA +PJ008172 APCKW C28H41N7O6S 603.2839 NA PeJP NA NA +PJ008173 AQKEE C24H41N7O11 603.2864 NA PeJP NA NA +PJ008174 PPVEY C29H41N5O9 603.2905 NA PeJP NA NA +PJ008175 GRWW C30H37N9O5 603.2918 NA PeJP NA NA +3289 NA NIMEILRGDF 603.2971 MH2+ Inhouse_peptide NA peptide +PJ008176 SNQQK C23H41N9O10 603.2976 NA PeJP NA NA +PJ008177 GDKER C23H41N9O10 603.2977 NA PeJP NA NA +PJ008178 AAKEW C28H41N7O8 603.3017 NA PeJP NA NA +MJ085019 4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-benzoyl, 8-Ac C32H45NO10 603.304346 NA MeJP NA NA +MJ085020 4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-benzoyl C32H45NO10 603.304346 NA MeJP NA NA +MJ085021 Hemsleyasine C32H45NO10 603.304346 NA MeJP NA NA +PJ008179 PTQKM C25H45N7O8S 603.305 NA PeJP NA NA +PJ008180 GAPTKM C25H45N7O8S 603.3051 NA PeJP NA NA +PJ008181 KFFY C33H41N5O6 603.3057 NA PeJP NA NA +PJ008182 GSERR C22H41N11O9 603.3089 NA PeJP NA NA +PJ008183 PPLMF C30H45N5O6S 603.3091 NA PeJP NA NA +PJ008184 TLLEE C26H45N5O11 603.3116 NA PeJP NA NA +PJ008185 PLLMM C27H49N5O6S2 603.3124 NA PeJP NA NA +PJ008186 DKRW C27H41N9O7 603.3129 NA PeJP NA NA +PJ008187 GLQMR C24H45N9O7S 603.3163 NA PeJP NA NA +MJ085022 Pregnane-3,12,14,17,20-pentol, 20-(3-Pyridinecarbonyl), 12-cinnamoyl C36H45NO7 603.319602 NA MeJP NA NA +PJ008188 AKKEE C25H45N7O10 603.3228 NA PeJP NA NA +PJ008189 SRRW C26H41N11O6 603.3241 NA PeJP NA NA +PJ008190 PVLEF C30H45N5O8 603.3268 NA PeJP NA NA +PJ008191 AAMRR C23H45N11O6S 603.3275 NA PeJP NA NA +PJ008192 VLLEM C27H49N5O8S 603.3302 NA PeJP NA NA +PJ008193 ATKER C24H45N9O9 603.334 NA PeJP NA NA +PJ008194 GGTTLR C24H45N9O9 603.3341 NA PeJP NA NA +PJ008195 GTLKW C29H45N7O7 603.3381 NA PeJP NA NA +PJ008196 PTKKM C26H49N7O7S 603.3414 NA PeJP NA NA +PJ008197 GGVLKM C26H49N7O7S 603.3415 NA PeJP NA NA +PJ008198 ATTRR C23H45N11O8 603.3453 NA PeJP NA NA +PJ008199 GPKFR C28H45N9O6 603.3493 NA PeJP NA NA +MJ085023 Antibiotic B 1371E C32H49N3O8 603.351965 NA MeJP NA NA +PJ008200 GLKMR C25H49N9O6S 603.3527 NA PeJP NA NA +EUR683 Lyso PC 20:4 [M-H+acetate]- C28H50NO7P 603.353592 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR683 Lyso PC 20:4 [M-H+acetate]- C28H50NO7P 603.353592 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR683 Lyso PC 20:4 [M-H+acetate]- C28H50NO7P 603.353592 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR683 Lyso PC 20:4 [M-H+acetate]- C28H50NO7P 603.353592 masses lipides attendues Inhousejuil11 NA NA +MJ085024 Janthitrem E C37H49NO6 603.355988 NA MeJP NA NA +PJ008201 SLKKE C26H49N7O9 603.3592 NA PeJP NA NA +MJ085025 Benzonatate C30H53NO11 603.361861 NA MeJP NA NA +MJ085026 Fumonisin A1; 15-Deacyl, 15-ketone C30H53NO11 603.361861 NA MeJP NA NA +PJ008202 PVLLY C31H49N5O7 603.3632 NA PeJP NA NA +PJ008203 STLKR C25H49N9O8 603.3704 NA PeJP NA NA +PJ008204 VVKKM C27H53N7O6S 603.3778 NA PeJP NA NA +PJ008205 VLLLF C32H53N5O6 603.3996 NA PeJP NA NA +MJ085027 Fluvirucin B; Fluvirucin B5 C34H57N3O6 603.424736 NA MeJP NA NA +3560 heparin-binding peptide APRKSSRWCT 603.7875 MH2+ Inhouse_peptide NA peptide +C14760 Amaranth C20H11N2O10S3 603.9269 NA KEGG NA NA +PJ008206 ACCCCC C18H32N6O7S5 604.0936 NA PeJP NA NA +PJ008207 SSCCCC C18H32N6O9S4 604.1114 NA PeJP NA NA +MJ085028 3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone; 3',3'''-Dihydroxy, 4'-Me ether C31H24O13 604.12169 NA MeJP NA NA +MJ085029 Pyranoamentoflavone C35H24O10 604.136946 NA MeJP NA NA +MJ085030 2-(4-Hydroxyphenyl)ethanol; 1-O-[4,6-Bis-O-(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] C28H28O15 604.14282 NA MeJP NA NA +MJ085031 2-(4-Hydroxyphenyl)ethanol; 4'-O-3,4,5-Trihydroxybenzoyl, 1-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C28H28O15 604.14282 NA MeJP NA NA +MJ085032 ?-Rhodomycinone; 1-O-?-D-Glucuronopyranoside C28H28O15 604.14282 NA MeJP NA NA +FL5FADGL0041 Isorhamnetin 3-O-beta-D-2'',3'',4''-triacetylglucopyranoside;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2,3,4-tri-O-acetyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one C28H28O15 604.14282 600736-88-7 knapsack NA NA +PJ008208 CCCNY C22H32N6O8S3 604.1444 NA PeJP NA NA +PJ008209 CCNEH C21H32N8O9S2 604.1734 NA PeJP NA NA +MJ085033 2-Hydroxymethyl-2-butene-1,4-diol; 4-(3,4-Dihydroxycinnamoyl), 1-O-[6-O-(3,4-dihydroxycinnamoyl)-?-D-glucopyranoside] C29H32O14 604.179205 NA MeJP NA NA +MJ085034 Neophellamuretin, 7-O-(6-O-Malonyl-?-D-glucopyranoside) C29H32O14 604.179205 NA MeJP NA NA +MJ085035 Salicortin; 2'-O-Ac, 6'-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carbonyl) C29H32O14 604.179205 NA MeJP NA NA +PJ008210 GCCHW C25H32N8O6S2 604.1886 NA PeJP NA NA +PJ008211 GSSCDH C21H32N8O11S 604.1912 NA PeJP NA NA +PJ008212 GSPDDD C22H32N6O14 604.1977 NA PeJP NA NA +PJ008213 GPPCCE C23H36N6O9S2 604.1986 NA PeJP NA NA +MJ085036 Modipafant C34H29ClN6O3 604.198966 NA MeJP NA NA +PJ008214 NNNDE C21H32N8O13 604.2089 NA PeJP NA NA +PJ008215 SCQMH C22H36N8O8S2 604.2098 NA PeJP NA NA +PJ008216 PPCCW C27H36N6O6S2 604.2138 NA PeJP NA NA +MJ085037 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-Ketone, 9-benzoyl, 1,2,6,14-tetra-Ac C30H36O13 604.215591 NA MeJP NA NA +MJ085038 Hemoregulatory peptide 5b C23H36N6O11S 604.216276 NA MeJP NA NA +PJ008217 PNDEM C23H36N6O11S 604.2163 NA PeJP NA NA +PJ008218 EMYY C28H36N4O9S 604.2203 NA PeJP NA NA +MJ085039 Cancentrine; 31,32-Didehydro C36H32N2O7 604.220951 NA MeJP NA NA +MJ085040 Cancentrine; 8,14-Didehydro C36H32N2O7 604.220951 NA MeJP NA NA +PJ008219 SCCHR C21H36N10O7S2 604.221 NA PeJP NA NA +PJ008220 GNNDW C25H32N8O10 604.2242 NA PeJP NA NA +PJ008221 PCDDR C22H36N8O10S 604.2275 NA PeJP NA NA +PJ008222 GGGGGPTC C22H36N8O10S 604.2276 NA PeJP NA NA +MJ085041 Antibiotic ES 242-4; 4-Deoxy, 4'-Ac C34H36O10 604.230847 NA MeJP NA NA +MJ085042 Daphnetoxin; 1,2-Dihydro, 12-benzoyloxy C34H36O10 604.230847 NA MeJP NA NA +PJ008223 GPDMW C27H36N6O8S 604.2316 NA PeJP NA NA +PJ008224 AQEEE C23H36N6O13 604.2341 NA PeJP NA NA +PJ008225 GPPTCM C24H40N6O8S2 604.2349 NA PeJP NA NA +MJ085043 Chromoviridan; Deoxy C41H28N6 604.237544 NA MeJP NA NA +3218 Casoxin YPYY 604.241 celiac toxic Inhouse_peptide NA peptide +PJ008226 GNMHF C26H36N8O7S 604.2428 NA PeJP NA NA +MJ085044 Antibiotic TAN 422A C32H41ClO9 604.24391 NA MeJP NA NA +PJ008227 GDEER C22H36N8O12 604.2453 NA PeJP NA NA +PJ008228 SCKMH C23H40N8O7S2 604.2462 NA PeJP NA NA +PJ008229 AAEEW C27H36N6O10 604.2493 NA PeJP NA NA +MJ085045 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15,19-octol, 2-Benzoyl, 4,19-di-Ac C31H40O12 604.251976 NA MeJP NA NA +MJ085046 Sandoricin; 6R-Hydroxy C31H40O12 604.251976 NA MeJP NA NA +PJ008230 PTQEM C24H40N6O10S 604.2527 NA PeJP NA NA +PJ008231 PYYY C32H36N4O8 604.2533 NA PeJP NA NA +MJ085047 Antibiotic Al-R2397 C31H41ClN2O8 604.255144 NA MeJP NA NA +PJ008232 SNNDR C21H36N10O11 604.2565 NA PeJP NA NA +3120 alpha-thymosin-1 K23 fr,:23-27 KEEAE 604.257 celiac toxic Inhouse_peptide NA peptide +MJ085048 Cycleatjehine; O12-Me C37H36N2O6 604.257336 NA MeJP NA NA +MJ085049 Berbacolorflammine C37H37N2O6(+) 604.257336 NA MeJP NA NA +MJ085050 Fangchinoline, 1,3,4-Tridehydro C37H37N2O6(+) 604.257336 NA MeJP NA NA +MJ085051 Stephasubine; N2'-Me C37H37N2O6(+) 604.257336 NA MeJP NA NA +PJ008233 GSQQW C26H36N8O9 604.2605 NA PeJP NA NA +PJ008234 DERW C26H36N8O9 604.2606 NA PeJP NA NA +PJ008235 SPDMR C23H40N8O9S 604.2639 NA PeJP NA NA +PJ008236 VDWW C31H36N6O7 604.2646 NA PeJP NA NA +MJ085052 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 8-Cinnamoyl, 9-benzoyl, 1,6-di-Ac C35H40O9 604.267232 NA MeJP NA NA +PJ008237 APTMW C28H40N6O7S 604.2679 NA PeJP NA NA +PJ008238 GGPPMF C28H40N6O7S 604.268 NA PeJP NA NA +PJ008239 AKEEE C24H40N6O12 604.2704 NA PeJP NA NA +PJ008240 GGTLEE C24H40N6O12 604.2705 NA PeJP NA NA +PJ008241 PVQMM C25H44N6O7S2 604.2713 NA PeJP NA NA +PJ008242 SPQHH C25H36N10O8 604.2718 NA PeJP NA NA +PJ008243 GNQMR C22H40N10O8S 604.2751 NA PeJP NA NA +PJ008244 GGGQMR C22H40N10O8S 604.2752 NA PeJP NA NA +PJ008245 ACKHF C27H40N8O6S 604.2792 NA PeJP NA NA +PJ008246 ATEER C23H40N8O11 604.2817 NA PeJP NA NA +PJ008247 APMMR C24H44N8O6S2 604.2825 NA PeJP NA NA +3134 ester transferases inhibitor TWRMWYVPA 604.2832 MH2+ Inhouse_peptide NA peptide +MJ085053 Amicetin; N-De-Me C28H40N6O9 604.285676 NA MeJP NA NA +PJ008248 GTLEW C28H40N6O9 604.2857 NA PeJP NA NA +PJ008249 GCNRR C21H40N12O7S 604.2864 NA PeJP NA NA +MJ085054 2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide, 3-O-(4-O-Acetyl-6-deoxy-3-O-methyl-?-D-galactopyranoside) C32H44O11 604.288362 NA MeJP NA NA +MJ085055 2,3,5,14-Tetrahydroxy-19-oxo-20,22-bufadienolide, 2-Ac, 3-O-(4,6-dideoxy-?-arabino-hexopyranoside) C32H44O11 604.288362 NA MeJP NA NA +MJ085056 3,14,16-Trihydroxybufa-4,20,22-trienolide, 3-O-?-D-Glucopyranoside, 16-Ac C32H44O11 604.288362 NA MeJP NA NA +MJ085057 3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 5-Ac, 3-O-?-L-rhamnopyranoside C32H44O11 604.288362 NA MeJP NA NA +MJ085058 Karatavicinol; 11'-Ac, 10'-O-?-D-glucopyranoside C32H44O11 604.288362 NA MeJP NA NA +C08857 Cerbertin C32H44O11 604.2884 NA KEGG NA NA +C08873 Lanceotoxin B C32H44O11 604.2884 NA KEGG NA NA +PJ008250 PTKEM C25H44N6O9S 604.2891 NA PeJP NA NA +PJ008251 LFYY C33H40N4O7 604.2897 NA PeJP NA NA +MJ085059 Magnesium protoporphyrin monomethyl ester C35H40MgN4O4 604.289997 NA MeJP NA NA +PJ008252 SSQQR C22H40N10O10 604.2929 NA PeJP NA NA +PJ008253 GSQKW C27H40N8O8 604.2969 NA PeJP NA NA +MJ085060 Aurilol C30H53BrO7 604.297466 NA MeJP NA NA +MJ085061 Thyrsiferol C30H53BrO7 604.297466 NA MeJP NA NA +MJ085062 Dilazep C31H44N2O10 604.299595 NA MeJP NA NA +PJ008254 GLEMR C24H44N8O8S 604.3003 NA PeJP NA NA +PJ008255 TLWW C32H40N6O6 604.301 NA PeJP NA NA +PJ008256 GVLMW C29H44N6O6S 604.3043 NA PeJP NA NA +PJ008257 SLKEE C25H44N6O11 604.3068 NA PeJP NA NA +PJ008258 PVKMM C26H48N6O6S2 604.3077 NA PeJP NA NA +PJ008259 SPKHH C26H40N10O7 604.3082 NA PeJP NA NA +3469 analogue of human b-CN (54-59) VGGIPY 604.309 ACE inhibitor Inhouse_peptide NA peptide +PJ008260 GNKMR C23H44N10O7S 604.3115 NA PeJP NA NA +PJ008261 GGGKMR C23H44N10O7S 604.3116 NA PeJP NA NA +PJ008262 PFRW C31H40N8O5 604.3122 NA PeJP NA NA +MJ085063 Cryptophycin 4 C35H44N2O7 604.314851 NA MeJP NA NA +PJ008263 LMRW C28H44N8O5S 604.3156 NA PeJP NA NA +PJ008264 STLER C24H44N8O10 604.3181 NA PeJP NA NA +PJ008265 GVHHR C25H40N12O6 604.3194 NA PeJP NA NA +MJ085064 Bengamide Z; N-De-Me, 6S-(3R,4S,5R-trihydroxy-2R-methoxy-8-methyl-6-nonenoyl) C28H48N2O12 604.320725 NA MeJP NA NA +PJ008266 SSLLW C29H44N6O8 604.3221 NA PeJP NA NA +MJ085065 18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 2-Me ether, 7,18-dibutanoyl, 6,19-di-Ac C33H48O10 604.324747 NA MeJP NA NA +MJ085066 18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 2-Me ether, 7,19-dibutanoyl, 6,18-di-Ac C33H48O10 604.324747 NA MeJP NA NA +MJ085067 4(20),11-Taxadiene-2,5,7,9,10-pentol, 2-(2-Methylbutanoyl), 5,7,9,10-tetra-Ac C33H48O10 604.324747 NA MeJP NA NA +MJ085068 4(20),11-Taxadiene-2,5,9,10,14-pentol, 14-(2-Methylbutanoyl), 2,5,9,10-tetra-Ac C33H48O10 604.324747 NA MeJP NA NA +MJ085069 Implexin, 4?,5-Dihydro, 5-acetoxy C33H48O10 604.324747 NA MeJP NA NA +MJ085070 Prasinic acid; Decarboxy, O-de-Me, 2-O-?-D-galactofuranoside C33H48O10 604.324747 NA MeJP NA NA +MJ085071 Viridominic acid A; 12?-Hydroxy C33H48O10 604.324747 NA MeJP NA NA +PJ008267 TLLQM C26H48N6O8S 604.3254 NA PeJP NA NA +2723 erythromycin inhibitor MSLRV 604.3254 NA Inhouse_peptide NA peptide +PJ008268 VVKEM C26H48N6O8S 604.3255 NA PeJP NA NA +PJ008269 SSQKR C23H44N10O9 604.3293 NA PeJP NA NA +PJ008270 HHRR C24H40N14O5 604.3306 NA PeJP NA NA +PJ008271 GSKKW C28H44N8O7 604.3333 NA PeJP NA NA +PJ008272 SVLMR C25H48N8O7S 604.3367 NA PeJP NA NA +MJ085072 N-[N-[N-[(Hexahydro-1H-azepin-1-yl)carbonyl]-L-leucyl]-1-methyl-D-tryptophyl]-3-(2-pyridinyl)-D-alanine C33H44N6O5 604.337318 NA MeJP NA NA +MJ085073 Telinavir C33H44N6O5 604.337318 NA MeJP NA NA +PJ008273 GTTTLL C26H48N6O10 604.3432 NA PeJP NA NA +MJ085074 Antipain C27H44N10O6 604.344529 NA MeJP NA NA +PJ008274 PPVHR C27H44N10O6 604.3446 NA PeJP NA NA +MJ085075 3-O-?-L-Rhamnopyranosyl-L-rhamnose; ?-Pyranose-form, Octyl glycoside, 4-O-hexanoyl, 2',3'-di-Ac C30H52O12 604.345877 NA MeJP NA NA +MJ085076 3-O-?-L-Rhamnopyranosyl-L-rhamnose; ?-Pyranose-form, Octyl glycoside, 4-O-hexanoyl, 2',4'-di-Ac C30H52O12 604.345877 NA MeJP NA NA +MJ085077 Candida bombicola Sophorolipid lactone C30H52O12 604.345877 NA MeJP NA NA +PJ008275 ACKKR C24H48N10O6S 604.3479 NA PeJP NA NA +2728 erythromycin inhibitor MILKT 604.3494 NA Inhouse_peptide NA peptide +3734 NA RKSSK 604.353 ACE inhibitor Inhouse_peptide NA peptide +PJ008276 SDKKK C25H48N8O9 604.3544 NA PeJP NA NA +PJ008277 GSSVKK C25H48N8O9 604.3545 NA PeJP NA NA +MJ085078 Aeruginosin 298A C30H48N6O7 604.358447 NA MeJP NA NA +PJ008278 PVVKY C30H48N6O7 604.3585 NA PeJP NA NA +MJ085079 Hippuristanol; 22-Epimer, 2?-Acetoxy, 3,11-di-Ac C34H52O9 604.361133 NA MeJP NA NA +MJ085080 Hippuristanol; 2?-Acetoxy, 3,11-di-Ac C34H52O9 604.361133 NA MeJP NA NA +MJ085081 Periplocagenin; 20-O-(2,6-Dideoxy-arabino-hexopyranoside) C34H52O9 604.361133 NA MeJP NA NA +MJ085082 Tiacumicin A C34H52O9 604.361133 NA MeJP NA NA +PJ008279 TLLKM C27H52N6O7S 604.3618 NA PeJP NA NA +PJ008280 SSKKR C24H48N10O8 604.3657 NA PeJP NA NA +PJ008281 GLLFR C29H48N8O6 604.3697 NA PeJP NA NA +PJ008282 AKKKM C26H52N8O6S 604.3731 NA PeJP NA NA +MJ085083 3,16-Dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid, 3-(4-Hydroxybenzoyl) C38H52O6 604.376389 NA MeJP NA NA +PJ008283 TTKKK C26H52N8O8 604.3908 NA PeJP NA NA +PJ008284 VVLKF C31H52N6O6 604.3949 NA PeJP NA NA +C08632 Papyriferic acid C35H56O8 604.3975 NA KEGG NA NA +C08953 Hederagenin 3-O-arabinoside C35H56O8 604.3975 NA KEGG NA NA +MJ085084 1,3-Dihydroxycycloart-24-en-28-oic acid, 3-O-?-L-Arabinopyranoside C35H56O8 604.397518 NA MeJP NA NA +MJ085085 12-Oleanene-3,15,16,21,22,24,28-heptol, 21-Angeloyl C35H56O8 604.397518 NA MeJP NA NA +MJ085086 20(29)-Lupene-3,23,28-triol, 28-Carboxylic acid, 3-O-?-L-arabinopyranoside C35H56O8 604.397518 NA MeJP NA NA +MJ085087 20,24-Dihydroxy-3,4-secodammara-4(28),11,25-trien-3-oic acid, 24-?-L-Arabinopyranoside C35H56O8 604.397518 NA MeJP NA NA +MJ085088 20,24-Epoxydammarane-3,12,25-triol, 3-Malonyl, 12-Ac C35H56O8 604.397518 NA MeJP NA NA +MJ085089 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-L-Arabinopyranoside C35H56O8 604.397518 NA MeJP NA NA +MJ085090 3,16-Dihydroxydammara-20,24-dien-28-oic acid, 16-O-?-L-Arabinofuranoside C35H56O8 604.397518 NA MeJP NA NA +MJ085091 3,19-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Xylopyranoside C35H56O8 604.397518 NA MeJP NA NA +MJ085092 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-D-Xylopyranoside C35H56O8 604.397518 NA MeJP NA NA +MJ085093 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinoside C35H56O8 604.397518 NA MeJP NA NA +MJ085094 3,23-Dihydroxy-12-oleanen-28-oic acid, 23-O-?-L-Arabinopyranoside C35H56O8 604.397518 NA MeJP NA NA +MJ085095 3,24-Dihydroxy-12-ursen-28-oic acid, 24-O-?-D-Xylopyranoside C35H56O8 604.397518 NA MeJP NA NA +MJ085096 3,24-Dihydroxy-12-ursen-28-oic acid, 3-O-?-D-Xylopyranoside C35H56O8 604.397518 NA MeJP NA NA +MJ085097 Anemoclemoside A C35H56O8 604.397518 NA MeJP NA NA +MJ085098 Bafilomycin D C35H56O8 604.397518 NA MeJP NA NA +MJ085099 Dammar-23-ene-3,12,20,25-tetrol, 3-Malonyl, 12-Ac C35H56O8 604.397518 NA MeJP NA NA +MJ085100 Dammar-24-ene-3,12,17,20-tetrol, 3-Malonyl, 12-Ac C35H56O8 604.397518 NA MeJP NA NA +MJ085101 Dammar-25-ene-3,12,20,24-tetrol, 3-Malonyl, 12-Ac C35H56O8 604.397518 NA MeJP NA NA +MJ085102 Hederagenin 3-glycosides; Monoglycosides, 3-O-?-L-Arabinopyranoside C35H56O8 604.397518 NA MeJP NA NA +MJ085103 Jujubogenin; 3-O-?-L-Arabinopyranoside C35H56O8 604.397518 NA MeJP NA NA +MJ085104 Lasalocid B C35H56O8 604.397518 NA MeJP NA NA +MJ085105 Lasalocid C C35H56O8 604.397518 NA MeJP NA NA +MJ085106 Lasalocid D C35H56O8 604.397518 NA MeJP NA NA +MJ085107 Lasalocid E C35H56O8 604.397518 NA MeJP NA NA +MJ085108 12-Oleanene-3,16,22,28-tetrol, 16-(E-Cinnamoyl) C39H56O5 604.412774 NA MeJP NA NA +MJ085109 12-Oleanene-3,28-diol, 3-(3,4-Dihydroxycinnamoyl)(E-) C39H56O5 604.412774 NA MeJP NA NA +MJ085110 20(29)-Lupene-3,28-diol, 3-O-(3,4-Dihydroxycinnamoyl) C39H56O5 604.412774 NA MeJP NA NA +MJ085111 12-Gammacerene-3,21-diol, 3-O-?-D-Glucopyranoside C36H60O7 604.433904 NA MeJP NA NA +MJ085112 12-Oleanene-3,22,24-triol, 22-O-?-L-Rhamnopyranoside C36H60O7 604.433904 NA MeJP NA NA +MJ085113 Cucurbita-5,24-diene-3,7,16-triol, O7-Me, 3-O-?-D-xylopyranoside C36H60O7 604.433904 NA MeJP NA NA +MJ085114 Dammara-20(22),24-diene-3,12-diol, 3-O-?-D-Glucopyranoside C36H60O7 604.433904 NA MeJP NA NA +MJ085115 24-Methylenedammarane-3,20-diol, 3-O-(4-Hydroxy-E-cinnamoyl) C40H60O4 604.44916 NA MeJP NA NA +MJ085116 24-Methylenedammarane-3,20-diol, 3-O-(4-Hydroxy-Z-cinnamoyl) C40H60O4 604.44916 NA MeJP NA NA +MJ085117 Acritopappuslactone A C40H60O4 604.44916 NA MeJP NA NA +MJ085118 Bismagdalenic acid C40H60O4 604.44916 NA MeJP NA NA +MJ085119 Cycloartanol; 3-(4-Hydroxy-3-methoxycinnamoyl) C40H60O4 604.44916 NA MeJP NA NA +MJ085120 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 3,17-Bis(10-undecenoyl) C40H60O4 604.44916 NA MeJP NA NA +MJ085121 Isoozic acid dimer C40H60O4 604.44916 NA MeJP NA NA +MJ085122 Lanceolatic acid C40H60O4 604.44916 NA MeJP NA NA +MJ085123 Maytenone C40H60O4 604.44916 NA MeJP NA NA +MJ085124 Goniodenin C37H64O6 604.470289 NA MeJP NA NA +MJ085125 23,37-Hentetracontadiene-2,4,6,40-tetrayne-1,8,39-triol C41H64O3 604.485545 NA MeJP NA NA +MJ085126 1,3,27-Octacosanetriol, 1-O-?-D-Glucopyranoside C34H68O8 604.491419 NA MeJP NA NA +MJ085127 1,3,27-Octacosanetriol, 1-O-?-D-Galactopyranoside C34H68O8 604.491419 NA MeJP NA NA +MJ085128 1,3,27-Octacosanetriol, 1-O-?-D-Glucopyranoside C34H68O8 604.491419 NA MeJP NA NA +MJ085129 Drostanolone; Azine C40H64N2O2 604.496779 NA MeJP NA NA +HMDB07081 DG(15:0/20:3(5Z,8Z,11Z)/0:0) C38H68O5 604.506653 NA HMDB2010 NA NA +HMDB07082 DG(15:0/20:3(8Z,11Z,14Z)/0:0) C38H68O5 604.506653 NA HMDB2010 NA NA +HMDB07445 DG(20:3(5Z,8Z,11Z)/15:0/0:0) C38H68O5 604.506653 NA HMDB2010 NA NA +HMDB07474 DG(20:3(8Z,11Z,14Z)/15:0/0:0) C38H68O5 604.506653 NA HMDB2010 NA NA +MJ085130 1,1',2,2',7,8-Hexahydro-?,?-carotene-1,1'-diol; 11,12-Dihydro, di-Me ether C42H68O2 604.521931 NA MeJP NA NA +MJ085131 Triclobisonium(2+); Dichloride C36H74Cl2N2 604.522905 NA MeJP NA NA +MJ085132 4-Eicosenoic acid, (3-Hydroxy-11Z-eicosenyl) ester C40H76O3 604.579446 NA MeJP NA NA +MJ085133 3-Methyl-3-buten-1-ol; Hexatriacontanoyl C41H80O2 604.615831 NA MeJP NA NA +HMDB01163 Guanosine diphosphate mannose C16H25N5O16P2 605.077148 NA HMDB2010 NA NA +HMDB03351 GDP-glucose C16H25N5O16P2 605.077148 NA HMDB2010 NA NA +HMDB01163 Guanosine diphosphate mannose C16H25N5O16P2 605.07715 http://www.hmdb.ca/metabolites/HMDB01163 HMDB NA NA +HMDB03351 GDP-glucose C16H25N5O16P2 605.07715 http://www.hmdb.ca/metabolites/HMDB03351 HMDB NA NA +HMDB01163 Guanosine diphosphate mannose C16H25N5O16P2 605.07715 HMDB01163 PFEM_hmdb_metabocards_official NA NA +HMDB03351 GDP-glucose C16H25N5O16P2 605.07715 HMDB03351 PFEM_hmdb_metabocards_official NA NA +MJ085134 GDPglucose C16H25N5O16P2 605.077152 NA MeJP NA NA +MJ085135 GDPmannose C16H25N5O16P2 605.077152 NA MeJP NA NA +MJ085136 Guanosine diphosphate mannose C16H25N5O16P2 605.077152 NA MeJP NA NA +MetaCyc03958 GDP-D-mannose [guanosine pyrophosphate mannose;guanosine diphosphomannose;guanosine diphosphate mannose;GDP-mannose;] C16H25N5O16P2 605.077153 NA metacyc NA NA +MetaCyc03959 GDP-L-galactose [] C16H25N5O16P2 605.077153 NA metacyc NA NA +MetaCyc03960 GDP-galactose [GDP-D-galactose;] C16H25N5O16P2 605.077153 NA metacyc NA NA +MetaCyc03961 GDP-D-glucose [GDP-glucose;] C16H25N5O16P2 605.077153 NA metacyc NA NA +MetaCyc03962 GDP-L-gulose [] C16H25N5O16P2 605.077153 NA metacyc NA NA +C00096 GDP-mannose C16H25N5O16P2 605.0772 NA KEGG NA NA +C00394 GDP-glucose C16H25N5O16P2 605.0772 NA KEGG NA NA +C00395 Penicillin C9H11N2O4SR 605.0772 NA KEGG NA NA +C01581 GDPhexose C16H25N5O16P2 605.0772 NA KEGG NA NA +C02280 GDP-L-galactose C16H25N5O16P2 605.0772 NA KEGG NA NA +C02281 Gelatin type IV C16H25N5O16P2 605.0772 NA KEGG NA NA +C02282 Glutaminyl-tRNA C20H29N7O12PR 605.0772 NA KEGG NA NA +C15925 GDP-L-gulose C16H25N5O16P2 605.0772 NA KEGG NA NA +C16288 Pelargonidin 3-O-3'',6''-O-dimalonylglucoside C27H25O16 605.1143 NA KEGG NA NA +PJ008285 CCCDY C22H31N5O9S3 605.1284 NA PeJP NA NA +MJ085137 Gadobutrol C18H31GdN4O9 605.133204 NA MeJP NA NA +PJ008286 CCCMF C23H35N5O6S4 605.147 NA PeJP NA NA +MJ085138 Dicolinium(2+) C16H34N2O22(+) 605.152495 NA MeJP NA NA +PJ008287 CCDEH C21H31N7O10S2 605.1574 NA PeJP NA NA +PJ008288 SCCMY C23H35N5O8S3 605.1648 NA PeJP NA NA +MJ085139 Tezosentan C27H27N9O6S 605.1805 NA MeJP NA NA +PJ008289 NNDDE C21H31N7O14 605.1929 NA PeJP NA NA +PJ008290 SCEMH C22H35N7O9S2 605.1938 NA PeJP NA NA +PJ008291 ACCFY C27H35N5O7S2 605.1978 NA PeJP NA NA +PJ008292 PDDEM C23H35N5O12S 605.2003 NA PeJP NA NA +PJ008293 GNDDW C25H31N7O11 605.2082 NA PeJP NA NA +PJ008294 PCCHF C26H35N7O6S2 605.209 NA PeJP NA NA +PJ008295 GSPCNE C22H35N7O11S 605.2116 NA PeJP NA NA +PJ008296 GMMMH C23H39N7O6S3 605.2124 NA PeJP NA NA +PJ008297 GTCYY C27H35N5O9S 605.2156 NA PeJP NA NA +PJ008298 AEEEE C23H35N5O14 605.2181 NA PeJP NA NA +PJ008299 NNNNM C21H35N9O10S 605.2228 NA PeJP NA NA +PJ008300 SPCNW C26H35N7O8S 605.2268 NA PeJP NA NA +PJ008301 SNQEE C22H35N7O13 605.2293 NA PeJP NA NA +PJ008302 STMMH C23H39N7O8S2 605.2302 NA PeJP NA NA +PJ008303 SSSYY C27H35N5O11 605.2333 NA PeJP NA NA +PJ008304 PTEEM C24H39N5O11S 605.2367 NA PeJP NA NA +PJ008305 PPMMM C25H43N5O6S3 605.2376 NA PeJP NA NA +PJ008306 SNDDR C21H35N9O12 605.2405 NA PeJP NA NA +PJ008307 GGSDDR C21H35N9O12 605.2406 NA PeJP NA NA +PJ008308 PCCQR C22H39N9O7S2 605.2414 NA PeJP NA NA +PJ008309 GSQEW C26H35N7O10 605.2446 NA PeJP NA NA +PJ008310 AQQEM C23H39N7O10S 605.2479 NA PeJP NA NA +PJ008311 NFYY C31H35N5O8 605.2486 NA PeJP NA NA +PJ008312 PPDMF C28H39N5O8S 605.252 NA PeJP NA NA +PJ008313 SLEEE C24H39N5O13 605.2545 NA PeJP NA NA +PJ008314 PVEMM C25H43N5O8S2 605.2553 NA PeJP NA NA +PJ008315 SPEHH C25H35N9O9 605.2558 NA PeJP NA NA +MJ085140 Osanetant C35H41Cl2N3O2 605.257582 NA MeJP NA NA +PJ008316 GNEMR C22H39N9O9S 605.2592 NA PeJP NA NA +PJ008317 SQWW C30H35N7O7 605.2598 NA PeJP NA NA +PJ008318 AAQMW C27H39N7O7S 605.2632 NA PeJP NA NA +PJ008319 SNKEE C23H39N7O12 605.2657 NA PeJP NA NA +PJ008320 PCQKM C24H43N7O7S2 605.2666 NA PeJP NA NA +PJ008321 GQQHH C24H35N11O8 605.267 NA PeJP NA NA +PJ008322 PPTEY C28H39N5O10 605.2697 NA PeJP NA NA +PJ008323 GCDRR C21H39N11O8S 605.2704 NA PeJP NA NA +2715 erythromycin inhibitor MINQT 605.2723 NA Inhouse_peptide NA peptide +PJ008324 VVEEM C25H43N5O10S 605.2731 NA PeJP NA NA +MJ085141 Anthraserpine; 11-Demethoxy, 4',5'-dimethoxy C33H39N3O8 605.273715 NA MeJP NA NA +PJ008325 NMRW C26H39N9O6S 605.2744 NA PeJP NA NA +PJ008326 SSQER C22H39N9O11 605.2769 NA PeJP NA NA +PJ008327 PCCKR C23H43N9O6S2 605.2778 NA PeJP NA NA +PJ008328 ASDKW C27H39N7O9 605.2809 NA PeJP NA NA +PJ008329 GSKEW C27H39N7O9 605.281 NA PeJP NA NA +PJ008330 AQKEM C24H43N7O9S 605.2843 NA PeJP NA NA +PJ008331 PPVMY C29H43N5O7S 605.2883 NA PeJP NA NA +PJ008332 GSTRW C26H39N9O8 605.2922 NA PeJP NA NA +PJ008333 ATQMR C23H43N9O8S 605.2955 NA PeJP NA NA +PJ008334 GDKMR C23H43N9O8S 605.2956 NA PeJP NA NA +PJ008335 SKWW C31H39N7O6 605.2962 NA PeJP NA NA +PJ008336 AAKMW C28H43N7O6S 605.2996 NA PeJP NA NA +PJ008337 SDKKE C24H43N7O11 605.3021 NA PeJP NA NA +PJ008338 PCKKM C25H47N7O6S2 605.3029 NA PeJP NA NA +PJ008339 GQKHH C25H39N11O7 605.3034 NA PeJP NA NA +PJ008340 PVVEY C29H43N5O9 605.3061 NA PeJP NA NA +PJ008341 GSMRR C22H43N11O7S 605.3068 NA PeJP NA NA +PJ008342 HFFR C30H39N9O5 605.3074 NA PeJP NA NA +PJ008343 TLLEM C26H47N5O9S 605.3095 NA PeJP NA NA +PJ008344 SSKER C23H43N9O10 605.3133 NA PeJP NA NA +PJ008345 ATTKW C28H43N7O8 605.3173 NA PeJP NA NA +MJ085142 Nazumamide A C28H43N7O8 605.317311 NA MeJP NA NA +PJ008346 GGGGVLF C28H43N7O8 605.3174 NA PeJP NA NA +PJ008347 AKKEM C25H47N7O8S 605.3207 NA PeJP NA NA +MJ085143 Amphibine H C33H43N5O6 605.321334 NA MeJP NA NA +PJ008348 PPVFF C33H43N5O6 605.3214 NA PeJP NA NA +PJ008349 SSTRR C22H43N11O9 605.3245 NA PeJP NA NA +PJ008350 PVLMF C30H47N5O6S 605.3247 NA PeJP NA NA +PJ008351 VLLMM C27H51N5O6S2 605.3281 NA PeJP NA NA +PJ008352 GVQFR C27H43N9O7 605.3286 NA PeJP NA NA +MJ085144 Detajmium (1+); Hydrogen tartrate (1:1) C31H47N3O9 605.33123 NA MeJP NA NA +PJ008353 ATKMR C24H47N9O7S 605.3319 NA PeJP NA NA +PJ008354 TTKKE C25H47N7O10 605.3385 NA PeJP NA NA +PJ008355 QFRR C26H43N11O6 605.3398 NA PeJP NA NA +PJ008356 PTLLY C30H47N5O8 605.3425 NA PeJP NA NA +PJ008357 TTTKR C24H47N9O9 605.3497 NA PeJP NA NA +PJ008358 APKKY C29H47N7O7 605.3537 NA PeJP NA NA +PJ008359 SLKKM C26H51N7O7S 605.3571 NA PeJP NA NA +PJ008360 GVKFR C28H47N9O6 605.365 NA PeJP NA NA +EUR763 Lyso PC 20:3 [M-H+acetate]- C28H52NO7P 605.369242 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR763 Lyso PC 20:3 [M-H+acetate]- C28H52NO7P 605.369242 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR763 Lyso PC 20:3 [M-H+acetate]- C28H52NO7P 605.369242 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR763 Lyso PC 20:3 [M-H+acetate]- C28H52NO7P 605.369242 masses lipides attendues Inhousejuil11 NA NA +PJ008361 KFRR C27H47N11O5 605.3762 NA PeJP NA NA +MJ085145 Destruxin A5 C31H51N5O7 605.378849 NA MeJP NA NA +PJ008362 VVLLY C31H51N5O7 605.3789 NA PeJP NA NA +PJ008363 ALKKF C30H51N7O6 605.3901 NA PeJP NA NA +MJ085146 2-(2-Acetyl-6-methoxy-3,9-dioxo-4,8-dioxa-2,10-diazaoctacos-1-yl)-1-ethylpyridinium(1+) C34H60N3O6(+) 605.440386 NA MeJP NA NA +HMDB10406 LysoPC(24:1(15Z)) C32H64NO7P 605.442017 NA HMDB2010 NA NA +EUR804 Lyso PC 24:1 monoisotopic mass C32H64NO7P 605.442042 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR804 Lyso PC 24:1 monoisotopic mass C32H64NO7P 605.442042 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR804 Lyso PC 24:1 monoisotopic mass C32H64NO7P 605.442042 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR804 Lyso PC 24:1 monoisotopic mass C32H64NO7P 605.442042 masses lipides attendues Inhousejuil11 NA NA +MJ085147 2,3',4,5'-Tetrabromo-2',6-dihydroxydiphenyl ether; 3-Bromo, 2'-Me ether C13H7Br5O3 605.631207 NA MeJP NA NA +MJ085148 2,3',4,5'-Tetrabromo-2',6-dihydroxydiphenyl ether; 5-Bromo, 6-Me ether C13H7Br5O3 605.631207 NA MeJP NA NA +MJ085149 Diphyllin; 6-Bromo-3,4-methylenedioxybenzoyl C29H19BrO10 606.016159 NA MeJP NA NA +MJ085150 1-O-Galloyl-3-O-brevifolincarboxyl-?-D-glucopyranose C26H22O17 606.085699 NA MeJP NA NA +MJ085151 3,3',4',5,7-Pentahydroxyflavanone(5'?5''')-3,3',4',5,7-pentahydroxyflavanone C30H22O14 606.100955 NA MeJP NA NA +MJ085152 Xanthoepocin C30H22O14 606.100955 NA MeJP NA NA +MJ085153 1,2,4-Benzenetriol; 2-Me ether, 4-O-[2,6-bis(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] C27H26O16 606.122084 NA MeJP NA NA +MJ085154 6''-Prenylamentoflavone C35H26O10 606.152597 NA MeJP NA NA +MJ085155 1,3,6-Trihydroxy-2-methylanthraquinone; 3-O-[?-D-Xylopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] C28H30O15 606.15847 NA MeJP NA NA +MJ085156 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-galacturonopyranoside] C28H30O15 606.15847 NA MeJP NA NA +MJ085157 6,8-Dihexosyl-4',5-dihydroxy-7-methoxyflavone C28H30O15 606.15847 NA MeJP NA NA +MJ085158 7-Hydroxy-3',4'-methylenedioxyisoflavone; O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C28H30O15 606.15847 NA MeJP NA NA +MJ085159 Cosmosiin; 2''-?-D-Apiofuranosyl, 6''-Ac C28H30O15 606.15847 NA MeJP NA NA +MJ085160 Vicenin 1; 6''-O-Ac C28H30O15 606.15847 NA MeJP NA NA +MJ085161 ?-Rhamnoisorobin; 3-O-(3-O-Acetyl-?-L-arabinofuranoside) C28H30O15 606.15847 NA MeJP NA NA +FL3FAACS0093 Vicenin-1 6''-O-acetate C28H30O15 606.15847 163345-99-1 knapsack NA NA +FL5FAAGS0064 Kaempferol 3-(3''-acetyl-alpha-L-arabinofuranoside)-7-rhamnoside C28H30O15 606.15847 90332-30-2 knapsack NA NA +FLIA1CGS0002 Pseudobaptigenin 7-O-laminaribioside C28H30O15 606.15847 - knapsack NA NA +PJ008364 CCNMH C21H34N8O7S3 606.1713 NA PeJP NA NA +FL1C3AGS0003 4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-acetyl-6''-O-cinnamoyl)glucoside C32H30O12 606.17372 213473-58-6 knapsack NA NA +FL3FF8GS0011 Skullcapflavone I 2'-(2''-E-cinnamoylglucoside);5-Hydroxy-7,8-dimethoxy-2-[2-[[2-O-[(2E)-1-oxo-3-phenyl-2-propenyl]-beta-D-glucopyranosyl]oxy]phenyl]-4H-1-benzopyran-4-one C32H30O12 606.17372 245472-32-6 knapsack NA NA +FL3FF8GS0012 Skullcapflavone I 2'-(4''-E-Cinnamoylglucoside);5-Hydroxy-7,8-dimethoxy-2-[2-[[4-O-[(2E)-1-oxo-3-phenyl-2-propenyl]-beta-D-glucopyranosyl]oxy]phenyl]-4H-1-benzopyran-4-one C32H30O12 606.17372 393825-51-9 knapsack NA NA +MJ085162 2',3',4,4'-Tetrahydroxychalcone, 4'-O-(2-O-Acetyl-6-O-E-cinnamoyl-?-D-glucopyranoside) C32H30O12 606.173726 NA MeJP NA NA +MJ085163 2',5,7,8-Tetrahydroxyflavone; 7,8-Di-Me ether, 2'-O-(2-O-cinnamoyl-?-D-glucopyranoside)(E-) C32H30O12 606.173726 NA MeJP NA NA +MJ085164 2',5,7,8-Tetrahydroxyflavone; 7,8-Di-Me ether, 2'-O-(3-O-cinnamoyl-?-D-glucopyranoside)(E-) C32H30O12 606.173726 NA MeJP NA NA +MJ085165 Aurasperone C; 8-Me ether C32H30O12 606.173726 NA MeJP NA NA +MJ085166 Flavomannin, 5?,5'?-Dihydroxy, 3,3'-di-Me ether C32H30O12 606.173726 NA MeJP NA NA +MJ085167 Fonsecinone A; 2,2',3,3'-Tetrahydro, 2,2'-dihydroxy C32H30O12 606.173726 NA MeJP NA NA +PJ008365 NDDDE C21H30N6O15 606.1769 NA PeJP NA NA +PJ008366 GGDDDE C21H30N6O15 606.177 NA PeJP NA NA +MJ085168 4-O-?-D-Glucopyranosyl-D-xylose; Pyranose-form, Hepta-Ac C25H34O17 606.179599 NA MeJP NA NA +MJ085169 4-O-?-D-Xylopyranosyl-D-allose; ?-Pyranose-form, Hepta-Ac C25H34O17 606.179599 NA MeJP NA NA +MJ085170 6-O-?-D-Xylopyranosyl-D-glucose; ?-Pyranose-form, Hepta-Ac C25H34O17 606.179599 NA MeJP NA NA +MJ085171 6-O-?-D-Xylopyranosyl-D-glucose; ?-Pyranose-form, Hepta-Ac C25H34O17 606.179599 NA MeJP NA NA +PJ008367 GSTCCH C21H34N8O9S2 606.189 NA PeJP NA NA +PJ008368 GGGGGPCC C21H34N8O9S2 606.1891 NA PeJP NA NA +PJ008369 GDDDW C25H30N6O12 606.1922 NA PeJP NA NA +FL2FA9GS0004 Pinocembrin 7-O-neohesperidoside 2'''-O-acetate C29H34O14 606.19485 79541-04-1 knapsack NA NA +FL2FA9GS0005 Pinocembrin 7-O-neohesperidoside 3'''-O-acetate C29H34O14 606.19485 82206-44-8 knapsack NA NA +FL2FA9GS0006 Pinocembrin 7-O-neohesperidoside 4'''-O-acetate C29H34O14 606.19485 80443-11-4 knapsack NA NA +FL2FA9GS0007 Pinocembrin 7-O-neohesperidoside 6''-O-acetate C29H34O14 606.19485 82206-45-9 knapsack NA NA +FL3FCBCS0005 Embinin C29H34O14 606.19485 52589-13-6 knapsack NA NA +MJ085172 1,3,8-Trihydroxy-6-methylanthraquinone; 1,3-Di-Me ether, 8-O-[?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C29H34O14 606.194855 NA MeJP NA NA +MJ085173 1,5-Bis(3,4-dihydroxyphenyl)-1-penten-4-yne; 4,4'-Di-O-?-D-glucopyranoside C29H34O14 606.194855 NA MeJP NA NA +MJ085174 4',6,7-Trihydroxyisoflavone; 4',6-Di-Me ether, 7-O-[?-L-rhamnopyranosyl-(1??)-?-D-glucopyranoside] C29H34O14 606.194855 NA MeJP NA NA +MJ085175 4',7,8-Trihydroxyisoflavone; 4',8-Di-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O14 606.194855 NA MeJP NA NA +MJ085176 5,7-Dihydroxyflavanone, 7-O-[3-O-Acetyl-?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O14 606.194855 NA MeJP NA NA +MJ085177 5,7-Dihydroxyflavanone, 7-O-[4-O-Acetyl-?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O14 606.194855 NA MeJP NA NA +MJ085178 5,7-Dihydroxyflavanone, 7-O-[?-D-Glucopyranosyl-(1?6)-2-O-acetyl-?-D-glucopyranoside] C29H34O14 606.194855 NA MeJP NA NA +MJ085179 7-Hydroxy-3',4',5',6-tetramethoxy-4,5-methylenedioxy-2,7'-cyclolignan-9',9-olide, 7-O-?-D-Glucopyranoside C29H34O14 606.194855 NA MeJP NA NA +MJ085180 Puerol A; 2''-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O14 606.194855 NA MeJP NA NA +MJ085181 Swertisin; 6''-O-?-L-Rhamopyranosyl, 4'-Me ether C29H34O14 606.194855 NA MeJP NA NA +PJ008370 GSPCDE C22H34N6O12S 606.1956 NA PeJP NA NA +PJ008371 GPPCCM C23H38N6O7S3 606.1964 NA PeJP NA NA +MJ085182 Ambenonium(2+); Dichloride C28H42Cl4N4O2 606.206187 NA MeJP NA NA +PJ008372 SSSSCH C21H34N8O11S 606.2068 NA PeJP NA NA +PJ008373 SPCDW C26H34N6O9S 606.2108 NA PeJP NA NA +PJ008374 SNEEE C22H34N6O14 606.2133 NA PeJP NA NA +PJ008375 PNDMM C23H38N6O9S2 606.2142 NA PeJP NA NA +PJ008376 MMYY C28H38N4O7S2 606.2182 NA PeJP NA NA +PJ008377 ACNNW C25H34N8O8S 606.222 NA PeJP NA NA +PJ008378 GCNQW C25H34N8O8S 606.2221 NA PeJP NA NA +PJ008379 SDDDR C21H34N8O13 606.2246 NA PeJP NA NA +PJ008380 PCCER C22H38N8O8S2 606.2254 NA PeJP NA NA +PJ008381 GSEEW C26H34N6O11 606.2286 NA PeJP NA NA +PJ008382 APCMW C27H38N6O6S2 606.2294 NA PeJP NA NA +C08750 Bruceantinol C30H38O13 606.2312 NA KEGG NA NA +MJ085183 8,17-Epoxy-2,3,4,9,14-pentahydroxy-5,11-briaradien-18,7-olide; Penta-Ac C30H38O13 606.231241 NA MeJP NA NA +MJ085184 Bruceanol A; 15-Deacyl, 15-(4-acetoxy-3,4-dimethyl-2E-pentenoyl) C30H38O13 606.231241 NA MeJP NA NA +MJ085185 Bruceolide; 15-(4-Acetoxy-3,4-dimethyl-2E-pentenoyl) C30H38O13 606.231241 NA MeJP NA NA +MJ085186 Hydramacroside B C30H38O13 606.231241 NA MeJP NA NA +MJ085187 Woorenogenin; 9-O-?-D-Glucopyranoside, 9'-Ac C30H38O13 606.231241 NA MeJP NA NA +PJ008383 AQEEM C23H38N6O11S 606.2319 NA PeJP NA NA +PJ008384 GAAEEM C23H38N6O11S 606.232 NA PeJP NA NA +PJ008385 DFYY C31H34N4O9 606.2326 NA PeJP NA NA +PJ008386 PCNHH C24H34N10O7S 606.2333 NA PeJP NA NA +MJ085188 Maytansinol; 3-Ac C30H39ClN2O9 606.234408 NA MeJP NA NA +MJ085189 Maytansinol; N-De-Me, 3-O-propanoyl C30H39ClN2O9 606.234408 NA MeJP NA NA +C09370 Cancentrine C36H34N2O7 606.2366 NA KEGG NA NA +MJ085190 Cancentrine C36H34N2O7 606.236601 NA MeJP NA NA +MJ085191 Cheratamine C36H34N2O7 606.236601 NA MeJP NA NA +MJ085192 Punjabine; Me ether C36H34N2O7 606.236601 NA MeJP NA NA +MJ085193 Sciadoline; 1''-Hydroxy C36H34N2O7 606.236601 NA MeJP NA NA +MJ085194 Secolucidine C36H34N2O7 606.236601 NA MeJP NA NA +PJ008387 SSNNW C25H34N8O10 606.2398 NA PeJP NA NA +PJ008388 GDEMR C22H38N8O10S 606.2432 NA PeJP NA NA +PJ008389 SEWW C30H34N6O8 606.2438 NA PeJP NA NA +CJneg0651 Indoleacetyl glutamine [(2M-H)]- C30H33N6O8 606.244325 C18rt(min)=6.05 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0651 Indoleacetyl glutamine [(2M-H)]- C30H33N6O8 606.244325 C18rt(min)=6.05 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +MJ085195 Nomilinic acid; Lactone, O-de-Ac, O-(4-methoxybenzoyl) C34H38O10 606.246497 NA MeJP NA NA +PJ008390 AAEMW C27H38N6O8S 606.2472 NA PeJP NA NA +MetaCyc03963 pheophorbide b [pheide b;] C35H34N4O6 606.247835 NA metacyc NA NA +PJ008391 SDKEE C23H38N6O13 606.2497 NA PeJP NA NA +PJ008392 PTQMM C24H42N6O8S2 606.2506 NA PeJP NA NA +PJ008393 ANEHH C24H34N10O9 606.251 NA PeJP NA NA +PJ008394 GQEHH C24H34N10O9 606.2511 NA PeJP NA NA +PJ008395 MFFY C32H38N4O6S 606.2512 NA PeJP NA NA +MJ085196 Penstemide; 4'-O-?-D-Allopyranoside C27H42O15 606.25237 NA MeJP NA NA +MJ085197 Penstemide; 4'-O-?-D-Glucopyranoside C27H42O15 606.25237 NA MeJP NA NA +MJ085198 Penstemide; 6'-O-?-D-Glucopyranoside C27H42O15 606.25237 NA MeJP NA NA +PJ008396 SCNQR C21H38N10O9S 606.2544 NA PeJP NA NA +MJ085199 Akuammiline; 5?,10-Dimethoxy, O-de-Ac, O-(3,4,5-trimethoxybenzoyl) C33H38N2O9 606.25773 NA MeJP NA NA +MJ085200 Deserpideine; 11-Methoxy C33H38N2O9 606.25773 NA MeJP NA NA +PJ008397 DMRW C26H38N8O7S 606.2584 NA PeJP NA NA +PJ008398 GGGCKW C26H38N8O7S 606.2585 NA PeJP NA NA +PJ008399 SSEER C22H38N8O12 606.2609 NA PeJP NA NA +PJ008400 GGGSSDK C22H38N8O12 606.261 NA PeJP NA NA +PJ008401 PTCMR C23H42N8O7S2 606.2618 NA PeJP NA NA +PJ008402 CLWW C31H38N6O5S 606.2625 NA PeJP NA NA +PJ008403 ATTEW C27H38N6O10 606.265 NA PeJP NA NA +PJ008404 QHHW C28H34N10O6 606.2663 NA PeJP NA NA +C09074 Clerodendrin A C31H42O12 606.2676 NA KEGG NA NA +MJ085201 2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2,3-Diangeloyl, 8-butanoyl, 10-Ac C31H42O12 606.267626 NA MeJP NA NA +MJ085202 4,18-Epoxy-1,3,6,19-tetrahydroxy-13-cleroden-15,16-olide, 19-(3-Hydroxy-2-methylenebutanoyl), 1,3,6-tri-Ac C31H42O12 606.267626 NA MeJP NA NA +MJ085203 4,18:11,16:15,16-Triepoxy-7,14-clerodadiene-2,3,6,19-tetrol, 3-(2-Acetoxy-2-methylbutanoyl), 6,19-di-Ac C31H42O12 606.267626 NA MeJP NA NA +PJ008405 AKEEM C24H42N6O10S 606.2683 NA PeJP NA NA +PJ008406 VYYY C32H38N4O8 606.269 NA PeJP NA NA +PJ008407 GSSSNR C21H38N10O11 606.2722 NA PeJP NA NA +MJ085204 Cepharanthine C37H38N2O6 606.272986 NA MeJP NA NA +MJ085205 Coclobine C37H38N2O6 606.272986 NA MeJP NA NA +MJ085206 Dehatrine C37H38N2O6 606.272986 NA MeJP NA NA +MJ085207 Epistephanine C37H38N2O6 606.272986 NA MeJP NA NA +MJ085208 Insularoline C37H38N2O6 606.272986 NA MeJP NA NA +MJ085209 Medelline C37H38N2O6 606.272986 NA MeJP NA NA +MJ085210 Ocotosine C37H38N2O6 606.272986 NA MeJP NA NA +MJ085211 Pachygonamine; N2,N2',O6-Tri-Me C37H38N2O6 606.272986 NA MeJP NA NA +MJ085212 Thalmethine; Me ether C37H38N2O6 606.272986 NA MeJP NA NA +MJ085213 Warifteine; 7'-Me ether C37H38N2O6 606.272986 NA MeJP NA NA +C09391 Cepharanthine C37H38N2O6 606.273 NA KEGG NA NA +PJ008408 GPDRY C26H38N8O9 606.2762 NA PeJP NA NA +PJ008409 ATEMR C23H42N8O9S 606.2796 NA PeJP NA NA +PJ008410 AAPYW C31H38N6O7 606.2802 NA PeJP NA NA +MJ085214 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl, 2,9,10-tri-Ac C35H42O9 606.282882 NA MeJP NA NA +MJ085215 4(20),11-Taxadiene-5,7,9,10,13-pentol, 13-Ketone, 5-cinnamoyl(E-), 7,9,10-tri-Ac C35H42O9 606.282882 NA MeJP NA NA +MJ085216 Nimbolinin B; O7-Detigloyl, O7-benzoyl, O1-de-Ac C35H42O9 606.282882 NA MeJP NA NA +MJ085217 Pregn-5-ene-3,7,8,12,14,17,20-heptol, 12,20-Dibenzoyl C35H42O9 606.282882 NA MeJP NA NA +MJ085218 Taxuspine C C35H42O9 606.282882 NA MeJP NA NA +MJ085219 Zuelanin; ?13(16)-Isomer, 2?-acetoxy, 6?-cinnamoyloxy C35H42O9 606.282882 NA MeJP NA NA +PJ008411 GTLMW C28H42N6O7S 606.2836 NA PeJP NA NA +PJ008412 FFFF C36H38N4O5 606.2842 NA PeJP NA NA +PJ008413 TTKEE C24H42N6O12 606.2861 NA PeJP NA NA +PJ008414 PTKMM C25H46N6O7S2 606.287 NA PeJP NA NA +PJ008415 GNNFR C25H38N10O8 606.2874 NA PeJP NA NA +PJ008416 GGGGGFR C25H38N10O8 606.2875 NA PeJP NA NA +PJ008417 SCNKR C22H42N10O8S 606.2908 NA PeJP NA NA +PJ008418 APPHW C30H38N8O6 606.2915 NA PeJP NA NA +MJ085220 Arenastatin A C34H42N2O8 606.294116 NA MeJP NA NA +PJ008419 GPMFR C27H42N8O6S 606.2948 NA PeJP NA NA +PJ008420 TTTER C23H42N8O11 606.2973 NA PeJP NA NA +PJ008421 GLMMR C24H46N8O6S2 606.2982 NA PeJP NA NA +PJ008422 GTHHR C24H38N12O7 606.2987 NA PeJP NA NA +PJ008423 STTLW C28H42N6O9 606.3013 NA PeJP NA NA +PJ008424 APKEY C28H42N6O9 606.3014 NA PeJP NA NA +PJ008425 KHHW C29H38N10O5 606.3027 NA PeJP NA NA +MJ085221 3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-(6-Deoxy-?-L-glucopyranoside), 6-Ac C32H46O11 606.304012 NA MeJP NA NA +MJ085222 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1,12-Bis(2-methylpropanoyl), 6,19-di-Ac C32H46O11 606.304012 NA MeJP NA NA +MJ085223 4,18:11,16:15,16-Triepoxy-14-clerodene-6,19-diol, 19-[3S-(3S-Acetoxybutanoyloxy)butanoyl], 6-Ac C32H46O11 606.304012 NA MeJP NA NA +MJ085224 8,17-Epoxy-2,4,9,11,12-pentahydroxy-5,13-briaradien-18,7-olide, 4-Octanoyl, 2,9-di-Ac C32H46O11 606.304012 NA MeJP NA NA +PJ008426 SLKEM C25H46N6O9S 606.3047 NA PeJP NA NA +PJ008427 APTRY C27H42N8O8 606.3126 NA PeJP NA NA +PJ008428 STLMR C24H46N8O8S 606.3159 NA PeJP NA NA +PJ008429 VTTMR C24H46N8O8S 606.316 NA PeJP NA NA +PJ008430 AALFW C32H42N6O6 606.3166 NA PeJP NA NA +MJ085225 Fulvestrant C32H47F5O3S 606.316607 NA MeJP NA NA +MJ085226 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-(2,4,6,8,10-Tetradecapentaenoyl), 13-Ac C36H46O8 606.319268 NA MeJP NA NA +MJ085227 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-(2,4,6,8,10-Tetradecapentaenoyl), 12-Ac C36H46O8 606.319268 NA MeJP NA NA +MJ085228 Atrataphloroglucinol A; 8'-Ethyl C36H46O8 606.319268 NA MeJP NA NA +PJ008431 PCLKF C29H46N6O6S 606.32 NA PeJP NA NA +PJ008432 SSSTLL C25H46N6O11 606.3225 NA PeJP NA NA +PJ008433 VVKMM C26H50N6O6S2 606.3234 NA PeJP NA NA +PJ008434 EFRR C26H42N10O7 606.3238 NA PeJP NA NA +PJ008435 VFRW C31H42N8O5 606.3278 NA PeJP NA NA +7470 coeliac toxic peptide VIQVGGSNVLDI 606.3289 MH2+ Inhouse_peptide NA peptide +PJ008436 GSSTKK C24H46N8O10 606.3337 NA PeJP NA NA +PJ008437 SPLKY C29H46N6O8 606.3377 NA PeJP NA NA +HMDB10361 (23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide) C33H50O10 606.340393 NA HMDB2010 NA NA +MJ085229 Tautomycetin C33H50O10 606.340397 NA MeJP NA NA +MJ085230 N-[N-[N-(N,N-Di-2-propenyl-L-tyrosyl)-2-methylalanyl]-L-phenylalanyl]-L-leucine C34H46N4O6 606.341735 NA MeJP NA NA +PJ008438 GVLRY C28H46N8O7 606.349 NA PeJP NA NA +PJ008439 TCKKK C25H50N8O7S 606.3523 NA PeJP NA NA +PJ008440 LRRY C27H46N10O6 606.3602 NA PeJP NA NA +MJ085231 Candida bombicola Sophorolipid lactone; 9'',10''-Dihydro C30H54O12 606.361527 NA MeJP NA NA +MJ085232 Superstolide A; 25-Deoxy, 24,25-didehydro C36H50N2O6 606.366887 NA MeJP NA NA +PJ008441 ALLKY C30H50N6O7 606.3741 NA PeJP NA NA +MJ085233 3-(4-Deoxy-?-L-xylo-hexopyranosyl)-4-hydroxy-6-[2-hydroxy-7-(hydroxymethyl)-1,1,5,9,11-pentamethyl-3,5,8-heptadecatrienyl]-2H-pyran-2-one C34H54O9 606.376783 NA MeJP NA NA +MJ085234 Fusapyrone C34H54O9 606.376783 NA MeJP NA NA +MJ085235 Roxaticin C34H54O9 606.376783 NA MeJP NA NA +PJ008442 GKKKF C29H50N8O6 606.3854 NA PeJP NA NA +MJ085236 Deacylantibiotic NF 00659 A; 12-Deoxy, 3-(8-methyl-2,4,6-decadienoyl)(E,E)- C38H54O6 606.392039 NA MeJP NA NA +MJ085237 Taiwaniadduct H C38H54O6 606.392039 NA MeJP NA NA +MJ085238 Mirabimides; Mirabimide B C32H54N4O7 606.39925 NA MeJP NA NA +MJ085239 Mirabimides; Mirabimide C C32H54N4O7 606.39925 NA MeJP NA NA +MJ085240 Rakicidin A C32H54N4O7 606.39925 NA MeJP NA NA +MJ085241 12-Oleanene-3,21,22,24-tetrol, 22-O-?-L-Arabinopyranoside C35H58O8 606.413168 NA MeJP NA NA +MJ085242 12-Oleanene-3,21,22,28-tetrol, 28-?-D-Xylopyranoside C35H58O8 606.413168 NA MeJP NA NA +MJ085243 3,11,16-Trihydroxycycloartan-24-one, 16-O-?-L-Arabinopyranoside C35H58O8 606.413168 NA MeJP NA NA +MJ085244 Bengazole Z; O6-Heneicosanoyl C34H58N2O7 606.424402 NA MeJP NA NA +MJ085245 14-Serratene-3,21-diol, 3-O-(3,4-Dihydroxyphenylpropanoyl) C39H58O5 606.428424 NA MeJP NA NA +MJ085246 2,3,27-Ursanetriol, 27-(4-Hydroxycinnamoyl) C39H58O5 606.428424 NA MeJP NA NA +MJ085247 Dammar-24-ene-3,20,26-triol, 3-(4-Hydroxycinnamoyl) (E-) C39H58O5 606.428424 NA MeJP NA NA +MJ085248 Dammar-24-ene-3,20-diol, 3-(3,4-Dihydroxycinnamoyl) C39H58O5 606.428424 NA MeJP NA NA +MJ085249 Isoozic acid dimer; 13'-Nor, 13'-oxo C39H58O5 606.428424 NA MeJP NA NA +MJ085250 2,6,10,15,19,23-Hexamethyl-2,6,10,12,14,18,22-tetracosaheptaene; 10,11,12,13-Tetrahydro, 10,11-dihydroxy, 11-O-?-D-mannopyranoside C36H62O7 606.449554 NA MeJP NA NA +C08712 Staphidine C42H58N2O 606.4549 NA KEGG NA NA +MJ085251 Staphisine; Demethoxy C42H58N2O 606.454914 NA MeJP NA NA +MJ085252 Asiminenin A C37H66O6 606.485939 NA MeJP NA NA +MJ085253 Coriacin; 4-Deoxy C37H66O6 606.485939 NA MeJP NA NA +MJ085254 Coriadienin C37H66O6 606.485939 NA MeJP NA NA +MJ085255 Giganenin C37H66O6 606.485939 NA MeJP NA NA +MJ085256 Gigantetronenin; 4-Deoxy C37H66O6 606.485939 NA MeJP NA NA +MJ085257 Glycerol trialkanoates (diacid, symmetrical); Glycerol 1,3-ditetradecanoate 2-(2E,4E-hexadienoate) C37H66O6 606.485939 NA MeJP NA NA +MJ085258 Reticulatain 1; 21-Epimer, 10-oxo C37H66O6 606.485939 NA MeJP NA NA +MJ085259 Rollidecin D C37H66O6 606.485939 NA MeJP NA NA +MJ085260 Squamocin L C37H66O6 606.485939 NA MeJP NA NA +MJ085261 Venezenin C37H66O6 606.485939 NA MeJP NA NA +HMDB07080 DG(15:0/20:2(11Z,14Z)/0:0) C38H70O5 606.522339 NA HMDB2010 NA NA +HMDB07416 DG(20:2(11Z,14Z)/15:0/0:0) C38H70O5 606.522339 NA HMDB2010 NA NA +7472 coeliac toxic peptide VIRVGGASEVEV 606.826 MH2+ Inhouse_peptide NA peptide +HMDB00304 Uridine diphosphate-N-acetylgalactosamine C17H27N3O17P2 607.08154 http://www.hmdb.ca/metabolites/HMDB00304 HMDB NA NA +HMDB00304 Uridine diphosphate-N-acetylgalactosamine C17H27N3O17P2 607.08154 HMDB00304 PFEM_hmdb_metabocards_official NA NA +HMDB00290 Uridine diphosphate-N-acetylglucosamine C17H27N3O17P2 607.081543 NA HMDB2010 NA NA +HMDB00304 Uridine diphosphate-N-acetylgalactosamine C17H27N3O17P2 607.081543 NA HMDB2010 NA NA +MJ085262 UDP-N-acetyl-D-galactosamine C17H27N3O17P2 607.081569 NA MeJP NA NA +MJ085263 UDP-N-acetyl-D-glucosamine C17H27N3O17P2 607.081569 NA MeJP NA NA +MJ085264 UDP-N-acetyl-D-mannosamine C17H27N3O17P2 607.081569 NA MeJP NA NA +MetaCyc03964 UDP-N-acetyl-D-galactosamine [UDP-N-acetylgalactosamine;uridine diphosphate N-acetylgalactosamine;] C17H27N3O17P2 607.081569 7277-98-7 metacyc NA NA +MetaCyc03965 UDP-N-acetyl-D-glucosamine [UDP-acetyl-D-glucosamine;UDP-GlcNAc;UDP-N-acetyl-glucosamine;uridine diphosphate N-acetylglucosamine;N-[2-[[[5-[(2,4-dioxo-1H-pyrimidin-1-yl)]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinoyl]oxy-hydroxy-phosphinoyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide;] C17H27N3O17P2 607.081569 528-04-1 metacyc NA NA +MetaCyc03966 UDP-N-acetyl-D-mannosamine [uridine diphosphate N-acetylmannosamine;uridine 5'-(trihydrogen diphosphate), P'-(2-(acetylamino)-2-deoxy-α-D-mannopyranosyl) ester;UDP-acetylmannosamine;UDP-ManNAc;] C17H27N3O17P2 607.081569 NA metacyc NA NA +C00043 UDP-N-acetyl-D-glucosamine C17H27N3O17P2 607.0816 NA KEGG NA NA +C00203 UDP-N-acetyl-D-galactosamine C17H27N3O17P2 607.0816 NA KEGG NA NA +C01170 UDP-N-acetyl-D-mannosamine C17H27N3O17P2 607.0816 NA KEGG NA NA +PJ008443 CCDMH C21H33N7O8S3 607.1553 NA PeJP NA NA +PJ008444 DDDDE C21H29N5O16 607.161 NA PeJP NA NA +PJ008445 GPCCND C21H33N7O10S2 607.1731 NA PeJP NA NA +PJ008446 GCCYY C26H33N5O8S2 607.1771 NA PeJP NA NA +MJ085265 Geodiamolide G; Bromo analogue C28H38BrN3O7 607.189313 NA MeJP NA NA +MJ085266 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[L-Rhamnopyranosylamino-(1?6)-6-deoxy-?-D-glucopyranoside] C28H33NO14 607.190104 NA MeJP NA NA +PJ008447 NNDDM C21H33N7O12S 607.1908 NA PeJP NA NA +PJ008448 SCMMH C22H37N7O7S3 607.1917 NA PeJP NA NA +PJ008449 SDEEE C22H33N5O15 607.1973 NA PeJP NA NA +PJ008450 PDDMM C23H37N5O10S2 607.1982 NA PeJP NA NA +MetaCyc03967 7''-O-phosphohygromycin [] C20H38N3O16P1 607.198969 NA metacyc NA NA +C03368 7''-O-Phosphohygromycin C20H38N3O16P 607.199 NA KEGG NA NA +C03371 Acyl-protein thioester C20H38N3O16P 607.199 NA KEGG NA NA +C03372 Acylglycerone phosphate C4H6O7PR 607.199 NA KEGG NA NA +PJ008451 GSCNNN C20H33N9O11S 607.202 NA PeJP NA NA +PJ008452 GGGSCNN C20H33N9O11S 607.2021 NA PeJP NA NA +PJ008453 GCNEW C25H33N7O9S 607.2061 NA PeJP NA NA +PJ008454 GSSNDE C21H33N7O14 607.2086 NA PeJP NA NA +PJ008455 GSPCNM C22H37N7O9S2 607.2094 NA PeJP NA NA +PJ008456 PDDDF C26H33N5O12 607.2126 NA PeJP NA NA +PJ008457 AEEEM C23H37N5O12S 607.216 NA PeJP NA NA +PJ008458 PCDHH C24H33N9O8S 607.2173 NA PeJP NA NA +PJ008459 CNWW C29H33N7O6S 607.2213 NA PeJP NA NA +PJ008460 SSNDW C25H33N7O11 607.2238 NA PeJP NA NA +PJ008461 ACMHF C26H37N7O6S2 607.2247 NA PeJP NA NA +MJ085267 1,2,3,4,6,9,14-Heptahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1,2,6,14-tetra-Ac C29H37NO13 607.22649 NA MeJP NA NA +PJ008462 SNQEM C22H37N7O11S 607.2272 NA PeJP NA NA +PJ008463 PPCEY C27H37N5O9S 607.2312 NA PeJP NA NA +PJ008464 TTEEE C23H37N5O14 607.2337 NA PeJP NA NA +PJ008465 PTEMM C24H41N5O9S2 607.2346 NA PeJP NA NA +PJ008466 GEEHH C24H33N9O10 607.2351 NA PeJP NA NA +PJ008467 SCNER C21H37N9O10S 607.2384 NA PeJP NA NA +PJ008468 SVCNW C26H37N7O8S 607.2424 NA PeJP NA NA +PJ008469 GSQMW C26H37N7O8S 607.2425 NA PeJP NA NA +PJ008470 GSSSSSP C22H37N7O13 607.2449 NA PeJP NA NA +PJ008471 GSSTQE C22H37N7O13 607.245 NA PeJP NA NA +PJ008472 AQQMM C23H41N7O8S2 607.2458 NA PeJP NA NA +PJ008473 SNNHH C23H33N11O9 607.2463 NA PeJP NA NA +PJ008474 APEEY C27H37N5O11 607.249 NA PeJP NA NA +PJ008475 EHHW C28H33N9O7 607.2503 NA PeJP NA NA +PJ008476 SLEEM C24H41N5O11S 607.2523 NA PeJP NA NA +PJ008477 VTEEM C24H41N5O11S 607.2524 NA PeJP NA NA +PJ008478 PVMMM C25H45N5O6S3 607.2532 NA PeJP NA NA +PJ008479 GSCRW C25H37N9O7S 607.2537 NA PeJP NA NA +PJ008480 GSSSDR C21H37N9O12 607.2562 NA PeJP NA NA +PJ008481 GNMMR C22H41N9O7S2 607.2571 NA PeJP NA NA +PJ008482 SSTQW C26H37N7O10 607.2602 NA PeJP NA NA +PJ008483 SNKEM C23H41N7O10S 607.2636 NA PeJP NA NA +PJ008484 PPTMY C28H41N5O8S 607.2676 NA PeJP NA NA +PJ008485 ACCRR C21H41N11O6S2 607.2683 NA PeJP NA NA +PJ008486 VVEMM C25H45N5O8S2 607.271 NA PeJP NA NA +PJ008487 SVEHH C25H37N9O9 607.2714 NA PeJP NA NA +PJ008488 GNDFR C25H37N9O9 607.2715 NA PeJP NA NA +PJ008489 SSQMR C22H41N9O9S 607.2748 NA PeJP NA NA +PJ008490 QQFW C30H37N7O7 607.2755 NA PeJP NA NA +7061 coeliac toxic peptide QPQQSFPQQQ 607.276 MH2+ Inhouse_peptide NA peptide +MJ085268 1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 9-benzoyl, 1-(2-methylpropanoyl), 8-Ac C34H41NO9 607.278131 NA MeJP NA NA +MJ085269 1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 9-benzoyl, 8-(2-methylpropanoyl), 1-Ac C34H41NO9 607.278131 NA MeJP NA NA +PJ008491 GSKMW C27H41N7O7S 607.2788 NA PeJP NA NA +PJ008492 GGPCKF C27H41N7O7S 607.2789 NA PeJP NA NA +PJ008493 GSSTKE C23H41N7O12 607.2813 NA PeJP NA NA +PJ008494 AQKMM C24H45N7O7S2 607.2822 NA PeJP NA NA +PJ008495 SPLEY C28H41N5O10 607.2854 NA PeJP NA NA +PJ008496 SSCRR C21H41N11O8S 607.286 NA PeJP NA NA +PJ008497 APHHF C29H37N9O6 607.2867 NA PeJP NA NA +PJ008498 ALMHH C26H41N9O6S 607.2901 NA PeJP NA NA +PJ008499 GSSTTR C22H41N9O11 607.2926 NA PeJP NA NA +PJ008500 ACKMR C23H45N9O6S2 607.2934 NA PeJP NA NA +PJ008501 VCCKR C23H45N9O6S2 607.2935 NA PeJP NA NA +PJ008502 SSTKW C27H41N7O9 607.2966 NA PeJP NA NA +PJ008503 SDKKM C24H45N7O9S 607.3 NA PeJP NA NA +PJ008504 PPTFF C32H41N5O7 607.3006 NA PeJP NA NA +2899 neuropeptide from eyestalk of Macrobrachium rosenb NYDKNFLRF~ 607.30335 MH2+ Inhouse_peptide NA peptide +PJ008505 PVVMY C29H45N5O7S 607.304 NA PeJP NA NA +2577 calreticulin QEQVPLVQQF 607.307 MH2+ Inhouse_peptide NA peptide +PJ008506 TLLMM C26H49N5O7S2 607.3074 NA PeJP NA NA +PJ008507 AAQRY C26H41N9O8 607.3078 NA PeJP NA NA +PJ008508 SSKMR C23H45N9O8S 607.3112 NA PeJP NA NA +C11308 Chymostatin C31H41N7O6 607.3118 NA KEGG NA NA +MJ085270 Chymostatin; Chymostatin A C31H41N7O6 607.311832 NA MeJP NA NA +MJ085271 Chymostatin; Chymostatin C C31H41N7O6 607.311832 NA MeJP NA NA +PJ008509 QKFW C31H41N7O6 607.3119 NA PeJP NA NA +PJ008510 SSSSLK C24H45N7O11 607.3177 NA PeJP NA NA +PJ008511 AKKMM C25H49N7O6S2 607.3186 NA PeJP NA NA +PJ008512 NRRY C25H41N11O7 607.3191 NA PeJP NA NA +PJ008513 ALLEY C29H45N5O9 607.3217 NA PeJP NA NA +PJ008514 VVVEY C29H45N5O9 607.3218 NA PeJP NA NA +PJ008515 GLQKY C28H45N7O8 607.333 NA PeJP NA NA +PJ008516 TTKKM C25H49N7O8S 607.3363 NA PeJP NA NA +PJ008517 PVVFF C33H45N5O6 607.337 NA PeJP NA NA +PJ008518 VVLMF C30H49N5O6S 607.3404 NA PeJP NA NA +PJ008519 AAKRY C27H45N9O7 607.3442 NA PeJP NA NA +PJ008520 KKFW C32H45N7O5 607.3482 NA PeJP NA NA +MJ085272 Petunianine C C36H49NO7 607.350902 NA MeJP NA NA +MJ085273 Petuniasterone B; 22-(3-Pyridinecarbonyl) C36H49NO7 607.350902 NA MeJP NA NA +PJ008521 APKHR C26H45N11O6 607.3555 NA PeJP NA NA +PJ008522 SLLLY C30H49N5O8 607.3581 NA PeJP NA NA +MJ085274 Destruxin E; Destruxin E1 C30H49N5O8 607.358113 NA MeJP NA NA +PJ008523 GLKKY C29H49N7O7 607.3694 NA PeJP NA NA +MJ085275 Malyngamide J C33H53NO9 607.372032 NA MeJP NA NA +MJ085276 Repromicin; 3-Ac C33H53NO9 607.372032 NA MeJP NA NA +PJ008524 PVKKH C28H49N9O6 607.3806 NA PeJP NA NA +EUR758 Lyso PC 20:2 [M-H+acetate]- C28H54NO7P 607.384892 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR758 Lyso PC 20:2 [M-H+acetate]- C28H54NO7P 607.384892 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR758 Lyso PC 20:2 [M-H+acetate]- C28H54NO7P 607.384892 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR758 Lyso PC 20:2 [M-H+acetate]- C28H54NO7P 607.384892 masses lipides attendues Inhousejuil11 NA NA +MJ085277 Bursaphelocide B C31H53N5O7 607.394499 NA MeJP NA NA +MJ085278 Destruxin B; Destruxin B1 C31H53N5O7 607.394499 NA MeJP NA NA +MJ085279 Homodestruxin B C31H53N5O7 607.394499 NA MeJP NA NA +MJ085280 Roseocardin C31H53N5O7 607.394499 NA MeJP NA NA +PJ008525 LLLLH C30H53N7O6 607.4058 NA PeJP NA NA +MJ085281 Myxovirescin A; Myxovirescin A1, 2,3-Didehydro, 33-O-de-Me C34H57NO8 607.408417 NA MeJP NA NA +MJ085282 Myxovirescin A; Myxovirescin A1, 33-Demethoxy, 5-oxo C34H57NO8 607.408417 NA MeJP NA NA +MJ085283 Pingbeinine; 3-O-?-D-Glucopyranoside C34H57NO8 607.408417 NA MeJP NA NA +MJ085284 Myxovirescin A; Myxovirescin A1, 9-Deoxo, 2,3-didehydro C35H61NO7 607.444803 NA MeJP NA NA +MJ085285 Pamamycin; Pamamycin 607 C35H61NO7 607.444803 NA MeJP NA NA +EUR799 Lyso PC 24:0 monoisotopic mass C32H66NO7P 607.457692 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR799 Lyso PC 24:0 monoisotopic mass C32H66NO7P 607.457692 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR799 Lyso PC 24:0 monoisotopic mass C32H66NO7P 607.457692 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR799 Lyso PC 24:0 monoisotopic mass C32H66NO7P 607.457692 masses lipides attendues Inhousejuil11 NA NA +HMDB10405 LysoPC(24:0) C32H66NO7P 607.457703 NA HMDB2010 NA NA +MJ085286 2-Amino-4-hexadecene-1,3-diol, N-(21-Methyldocosanoyl) C39H77NO3 607.590345 NA MeJP NA NA +MJ085287 2,2',3,4',5-Pentabromo-3',4,6'-trihydroxydiphenyl ether C12H5Br5O4 607.610471 NA MeJP NA NA +2915 neuropeptide from eyestalk of Macrobrachium rosenb GYNRSFLRFG 607.80095 MH2+ Inhouse_peptide NA peptide +8298 ACE inhibitor VTVNPYKWLP 607.82495 MH2+ Inhouse_peptide NA peptide +MJ085288 3',4',5,7-Tetrahydroxyflavone; 7-O-(Disulfoglucoside) C21H20O17S2 608.01419 NA MeJP NA NA +MJ085289 Chlorotris(1-phenyl-1,3-butanedionato-O,O')zirconium(IV) C30H27ClO6Zr 608.054319 NA MeJP NA NA +MJ085290 Celenamide E C28H25BrN4O7 608.090661 NA MeJP NA NA +MJ085291 Technepine C24H33FN3O4S2Tc 608.096866 NA MeJP NA NA +MJ085292 Prodelphinidin A2; 3'-Epimer C30H24O14 608.116605 NA MeJP NA NA +FL3FACGS0036 Luteolin 7-glucuronide-4'-rhamnoside C27H28O16 608.13773 58970-80-2 knapsack NA NA +FL3FECGS0035 6-Hydroxyluteolin 7-[3''-(3-hydroxy-3-methylglutaryl)glucoside] C27H28O16 608.13773 151750-80-0 knapsack NA NA +FL3FECGS0036 6-Hydroxyluteolin 7-[4''-(3-hydroxy-3-methylglutaryl)glucoside] C27H28O16 608.13773 151750-79-7 knapsack NA NA +FL3FECGS0037 6-Hydroxyluteolin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside] C27H28O16 608.13773 151750-78-6 knapsack NA NA +FL5FAAGS0030 Kaempferol 3-rhamnoside-7-galacturonide C27H28O16 608.13773 124167-98-2 knapsack NA NA +FL5FACGA0029 Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside] C27H28O16 608.13773 106915-93-9 knapsack NA NA +MJ085293 3',4',5,6,7-Pentahydroxyflavone; 7-O-[3-Hydroxy-3-methylglutaroyl-(?3)-?-D-glucopyranoside] C27H28O16 608.137734 NA MeJP NA NA +MJ085294 3',4',5,6,7-Pentahydroxyflavone; 7-O-[3-Hydroxy-3-methylglutaroyl-(?4)-?-D-glucopyranoside] C27H28O16 608.137734 NA MeJP NA NA +MJ085295 3',4',5,6,7-Pentahydroxyflavone; 7-O-[3-Hydroxy-3-methylglutaroyl-(?6)-?-D-glucopyranoside] C27H28O16 608.137734 NA MeJP NA NA +MJ085296 3',4',5,7-Tetrahydroxyflavone; 4'-O-?-L-Rhamnopyranoside, 7-O-?-D-glucuronopyranoside C27H28O16 608.137734 NA MeJP NA NA +MJ085297 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranoside] C27H28O16 608.137734 NA MeJP NA NA +MJ085298 3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-?-D-galacturonopyranoside C27H28O16 608.137734 NA MeJP NA NA +MJ085299 Cosmosiin; O''-Galacturonosyl C27H28O16 608.137734 NA MeJP NA NA +MJ085300 Hyperin; 6''-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl) C27H28O16 608.137734 NA MeJP NA NA +PJ008526 GSCCCH C20H32N8O8S3 608.1506 NA PeJP NA NA +MJ085301 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3''-Deoxy, 4'''-Me ether C31H28O13 608.15299 NA MeJP NA NA +MJ085302 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside] C31H28O13 608.15299 NA MeJP NA NA +MJ085303 Isovitexin; 2''-O-(4-Hydroxy-3-methoxycinnamoyl) C31H28O13 608.15299 NA MeJP NA NA +FL3FAACS0035 Vitexin 2''-O-(E)-ferulate C31H28O13 608.15299 64763-03-7 knapsack NA NA +FL3FADGS0020 Luteolin 3'-methyl ether 7-(3''-E-p-coumarylglucoside) C31H28O13 608.15299 103450-98-2 knapsack NA NA +FL3FADGS0025 Chrysoeriol 7-(3''-Z-p-coumaroylglucoside);5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[[3-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C31H28O13 608.15299 498547-25-4 knapsack NA NA +FL3FEAGS0050 Hispidulin 7-(6''-E-p-Coumaroylglucoside);5-Hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-6-methoxy-4H-1-benzopyran-4-one C31H28O13 608.15299 487040-42-6 knapsack NA NA +MJ085304 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside] C31H29O13(+) 608.152991 NA MeJP NA NA +MJ085305 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(4-Hydroxy-3-methoxycinnamoyl), 5-O-?-D-glucopyranoside C31H29O13(+) 608.152991 NA MeJP NA NA +MJ085306 4-Glucosyloxy-8-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)pyrano[4,3,2-de]-1-benzopyrylium(1+) C31H29O13(+) 608.152991 NA MeJP NA NA +PJ008527 GPCCDD C21H32N6O11S2 608.1571 NA PeJP NA NA +MJ085307 Beccapoline C37H24N2O7 608.158351 NA MeJP NA NA +MJ085308 Amentoflavone; 4',4''',5,7,7''-Penta-Me ether C35H28O10 608.168247 NA MeJP NA NA +C10039 Diosmin C28H32O15 608.1741 NA KEGG NA NA +C10382 Physcion 8-gentiobioside C28H32O15 608.1741 NA KEGG NA NA +C17834 Spinosin C28H32O15 608.1741 NA KEGG NA NA +MJ085309 1,2,4-Trihydroxy-7-methylanthraquinone; 2-Me ether, 4-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085310 1,3,6,8-Tetrahydroxy-2-methylanthraquinone; 6-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085311 1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 8-O-[?-D-galactopyranosyl-(1?4)-?-D-galactopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085312 1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 8-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085313 2',3,5,7-Tetrahydroxyflavone; 7-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085314 3',4',6,7-Tetrahydroxyaurone; 7-Me ether, 6-O-[?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085315 3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085316 3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085317 3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085318 3',5-Dihydroxy-4',7-dimethoxyflavone; 5-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085319 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085320 3,4',5,6,7-Pentahydroxyflavone; 4'-Me ether, 3,7-di-O-?-L-rhamnopyranoside C28H32O15 608.17412 NA MeJP NA NA +MJ085321 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3,7-Di-O-?-L-rhamnopyranoside C28H32O15 608.17412 NA MeJP NA NA +MJ085322 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085323 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1??)-?-L-rhamnopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085324 3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3,7-Di-O-?-D-rhamnopyranoside C28H32O15 608.17412 NA MeJP NA NA +MJ085325 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085326 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085327 3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-D-Glucopyranoside, 7-O-?-L-rhamnopyranoside C28H32O15 608.17412 NA MeJP NA NA +MJ085328 3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085329 3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-?-D-glucopyranoside C28H32O15 608.17412 NA MeJP NA NA +MJ085330 3,6-Diglucopyranosyl-4',5,7-trihydroxyflavone; 4'-Me ether C28H32O15 608.17412 NA MeJP NA NA +MJ085331 4',5,6,7-Tetrahydroxyflavone; 7-Me ether, 6-O-[?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085332 4',5,6,7-Tetrahydroxyisoflavone; 4',6-Di-Me ether, 7-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085333 4',5,6,7-Tetrahydroxyisoflavone; 4',6-Di-Me ether, 7-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085334 4',5,6,7-Tetrahydroxyisoflavone; 6,7-Di-Me ether, 4'-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085335 4',5,7,8-Tetrahydroxyflavone; 8-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085336 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085337 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085338 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085339 4',5,7-Trihydroxy-3-methoxyflavone; 7-O-Rutinoside C28H32O15 608.17412 NA MeJP NA NA +MJ085340 4',5,7-Trihydroxy-6-methoxyflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085341 4',5,7-Trihydroxy-6-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085342 4',5,7-Trihydroxy-6-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085343 4',5-Dihydroxy-3',7-dimethoxyflavone; 4'-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085344 4',5-Dihydroxy-7-methoxyflavone; 5-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085345 4',7-Dihydroxy-5-methoxyisoflavone; 4',7-Di-O-?-D-glucopyranoside C28H32O15 608.17412 NA MeJP NA NA +MJ085346 5,6,7-Trihydroxy-4'-methoxyflavone; 6-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085347 5,6-Dihydroxy-4',7-dimethoxyflavone; 6-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085348 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C28H32O15 608.17412 NA MeJP NA NA +MJ085349 5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-Gentiobioside C28H32O15 608.17412 NA MeJP NA NA +MJ085350 6-C-Glucopyranosyl-4',5,7,8-tetrahydroxyflavone; 7,8-Di-Me ether, 2''-O-?-D-apiofuranosyl C28H32O15 608.17412 NA MeJP NA NA +MJ085351 8-Galactopyranosyl-6-glucopyranosyl-4',5,7-trihydroxyflavone; 7-Me ether C28H32O15 608.17412 NA MeJP NA NA +MJ085352 8-Glucosyl-4',5,7-trihydroxy-3'-methoxyflavone; ?-D-Pyranose-form, 2''-O-?-L-Rhamnopyranoside C28H32O15 608.17412 NA MeJP NA NA +MJ085353 Abrusin; 2''-O-?-Apiofuranosyl C28H32O15 608.17412 NA MeJP NA NA +MJ085354 Isocytisoside; 2''-O-?-D-Glucopyranosyl C28H32O15 608.17412 NA MeJP NA NA +MJ085355 Isocytisoside; 7-O-?-D-Glucopyranoside C28H32O15 608.17412 NA MeJP NA NA +MJ085356 Isoscoparin; 2''-O-?-L-Rhamnopyranosyl C28H32O15 608.17412 NA MeJP NA NA +MJ085357 Orientin; 4'-Me ether, 2''-O-?-L-rhamnopyranosyl C28H32O15 608.17412 NA MeJP NA NA +MJ085358 Swertiajaponin; 2''-O-?-L-Rhamnopyranoside C28H32O15 608.17412 NA MeJP NA NA +MJ085359 Swertiajaponin; 4'-O-?-L-Rhamnopyranoside C28H32O15 608.17412 NA MeJP NA NA +MJ085360 Swertisin; 2''-O-?-D-Glucopyranosyl C28H32O15 608.17412 NA MeJP NA NA +MJ085361 Swertisin; 4''-O-?-D-Glucopyranosyl C28H32O15 608.17412 NA MeJP NA NA +MJ085362 Swertisin; 4'-O-?-D-Glucopyranoside C28H32O15 608.17412 NA MeJP NA NA +MJ085363 Swertisin; 5-O-?-D-Glucopyranoside C28H32O15 608.17412 NA MeJP NA NA +MJ085364 Vicenin 2; 7-Me ether C28H32O15 608.17412 NA MeJP NA NA +MJ085365 Vitexin; 4'-Me ether, 7-O-?-D-glucopyranoside C28H32O15 608.17412 NA MeJP NA NA +MJ085366 Vitexin; 7-Me ether, 2''-O-?-D-glucopyranosyl C28H32O15 608.17412 NA MeJP NA NA +MJ085367 Vitexin; 7-Me ether, 4'-O-?-D-glucopyranoside C28H32O15 608.17412 NA MeJP NA NA +MJ085368 Vitexin; 7-Me ether, 5-O-?-D-glucopyranoside C28H32O15 608.17412 NA MeJP NA NA +MJ085369 3,3',5,7-Tetrahydroxy-4'-methoxyflavylium(1+); 3-O-Rutinoside C28H33O15(+) 608.17412 NA MeJP NA NA +MJ085370 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C28H33O15(+) 608.17412 NA MeJP NA NA +MJ085371 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H33O15(+) 608.17412 NA MeJP NA NA +MJ085372 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-?-L-Rhamnopyranoside, 5-O-?-D-glucopyranoside C28H33O15(+) 608.17412 NA MeJP NA NA +FL1A3CGS0009 Leptosidin 6-glucosyl-(1->4)-rhamnoside C28H32O15 608.17412 81532-14-1 knapsack NA NA +FL3FABCS0003 Isocytisoside 2''-O-glucoside C28H32O15 608.17412 - knapsack NA NA +FL3FABCS0006 3,6-Di-C-glucopyranosylacacetin C28H32O15 608.17412 98891-91-9 knapsack NA NA +FL3FABDS0001 Isocytisoside 7-O-glucoside C28H32O15 608.17412 61252-87-7 knapsack NA NA +FL3FABDS0002 Cytisoside 7-O-glucoside C28H32O15 608.17412 18456-23-0 knapsack NA NA +FL3FADCS0011 Isoscoparin 2''-O-rhamnoside C28H32O15 608.17412 78570-70-4 knapsack NA NA +FL3FADCS0012 Scoparin 2''-O-rhamnoside C28H32O15 608.17412 87454-40-8 knapsack NA NA +FL3FADGS0009 Luteolin 3'-methyl ether 7-rutinoside C28H32O15 608.17412 32061-83-9 knapsack NA NA +FL3FADGS0023 Chrysoeriol 7-neohesperidoside;7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C28H32O15 608.17412 111133-90-5 knapsack NA NA +FL3FAECS0004 8-C-beta-D-Glucopyranosyldiosmetin 2''-O-rhamnoside C28H32O15 608.17412 98891-92-0 knapsack NA NA +FL3FAECS0007 8-C-Glucosyldiosmetin 4''-O-rhamnopyranoside C28H32O15 608.17412 229471-74-3 knapsack NA NA +FL3FAEGS0006 Luteolin 4'-methyl ether 7-rutinoside C28H32O15 608.17412 520-27-4 knapsack NA NA +FL3FAEGS0011 Diosmetin 7-neohesperidoside;Neodiosmin;7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one C28H32O15 608.17412 38665-01-9 knapsack NA NA +FL3FCACS0017 Zivulgarin C28H32O15 608.17412 108657-24-5 knapsack NA NA +FL3FCACS0019 Spinosin C28H32O15 608.17412 72063-39-9 knapsack NA NA +FL3FCACS0020 Isoswertisin 2''-O-glucoside C28H32O15 608.17412 89701-83-7 knapsack NA NA +FL3FCACS0022 6,8-Di-C-glucopyranosylgenkwanin C28H32O15 608.17412 128397-01-3 knapsack NA NA +FL3FCACS0026 6-C-Glucopyranosyl-8-C-galactopyranosylgenkwanin C28H32O15 608.17412 - knapsack NA NA +FL3FCADS0001 Flavocommelin; Flavocommelitin 4'-beta-D-glucopyranoside;Swertisin 4'-beta-D-glucopyranoside C28H32O15 608.17412 16049-42-6 knapsack NA NA +FL3FCADS0003 Isoswertisin 4'-O-glucoside C28H32O15 608.17412 35480-14-9 knapsack NA NA +FL3FCADS0004 Isoswertisin 5-O-glucoside C28H32O15 608.17412 73051-76-0 knapsack NA NA +FL3FCADS0005 Swertisin 5-O-glucoside C28H32O15 608.17412 73051-75-9 knapsack NA NA +FL3FCCCS0004 Swertiajaponin 2''-O-rhamnoside C28H32O15 608.17412 75474-16-7 knapsack NA NA +FL3FCCDS0002 Swertiajaponin 4'-O-rhamnoside C28H32O15 608.17412 87440-82-2 knapsack NA NA +FL3FCDGS0004 Luteolin 7,3'-dimethyl ether 4'-apiosyl-(1->2)-glucoside;Homoflavoyadorinin B;2-[4-[(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-3-methoxyphenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C28H32O15 608.17412 30422-47-0 knapsack NA NA +FL3FCEGS0002 Luteolin 7,4'-dimethyl ether 5-xylosyl-(1->6)-glucoside C28H32O15 608.17412 50675-76-8 knapsack NA NA +FL3FEACS0002 Abrusin 2''-O-beta-apiofuranoside C28H32O15 608.17412 120727-04-0 knapsack NA NA +FL3FEAGS0031 Scutellarein 6-metnyl ether 7-neohesperidoside;Hispidulin 7-neohesperidoside;7-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one C28H32O15 608.17412 156186-00-4 knapsack NA NA +FL3FEAGS0036 Scutellarein 7,4'-dimethyl ether 6-xylosyl-(1->2)-glucoside;Gelomuloside B;5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one C28H32O15 608.17412 149998-39-0 knapsack NA NA +FL3FEAGS0039 Hispidulin 7-rutinoside C28H32O15 608.17412 94240-34-3 knapsack NA NA +FL3FEAGS0051 Scutellarein 4'-methyl ether 7-rutinoside;7-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,6-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C28H32O15 608.17412 485396-26-7 knapsack NA NA +FL3FFACS0003 Precatorin II;6-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one C28H32O15 608.17412 211568-62-6 knapsack NA NA +FL5FABGL0003 Kaempferide 3-glucoside-7-rhamnoside C28H32O15 608.17412 93078-66-1 knapsack NA NA +FL5FABGS0006 Kaempferide 3-rhamnoside-7-glucoside C28H32O15 608.17412 89764-20-5 knapsack NA NA +FL5FABGS0010 Kaempferol 4'-methyl ether 3-neohesperidoside;Kaempferide 3-O-neohesperidoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C28H32O15 608.17412 261159-42-6 knapsack NA NA +FL5FADGS0012 Isorhamnetin 3-rhamnosyl-(1->2)-rhamnoside C28H32O15 608.17412 121064-69-5 knapsack NA NA +FL5FADGS0015 Isorhamnetin 3,7-dirhamnoside C28H32O15 608.17412 113137-49-8 knapsack NA NA +FL5FCAGL0003 Rhamnocitrin 3-neohesperidoside C28H32O15 608.17412 129885-17-2 knapsack NA NA +FL5FCAGL0004 Rhamnocitrin 3-rutinoside C28H32O15 608.17412 73706-68-0 knapsack NA NA +FL5FCCGS0006 Rhamnetin 3-rhamnosyl-(1->4)-rhamnoside C28H32O15 608.17412 105755-71-3 knapsack NA NA +FL5FDAGS0003 Isokaempferide 7-rutinoside C28H32O15 608.17412 18467-06-6 knapsack NA NA +FL5FE9GS0001 5,7-Dihydroxy-3,6-dimethoxyflavone 5-alpha-L-arabinosyl-(1->6)-glucoside;5-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-7-hydroxy-3,6-dimethoxy-2-phenyl-4H-1-benzopyran-4-one C28H32O15 608.17412 420112-29-4 knapsack NA NA +FL5FEAGS0010 6-Methoxykaempferol 3,7-dirhamnoside C28H32O15 608.17412 124962-15-8 knapsack NA NA +FL5FEAGS0011 6-Hydroxykaempferol 4'-methyl ether 3,7-dirhamnoside C28H32O15 608.17412 58942-17-9 knapsack NA NA +FLIAABGS0003 Biochanin A 7-O-gentiobioside C28H32O15 608.17412 63770-90-1 knapsack NA NA +PJ008528 NDDDM C21H32N6O13S 608.1748 NA PeJP NA NA +PJ008529 SPPCCC C22H36N6O8S3 608.1757 NA PeJP NA NA +PJ008530 GSCNND C20H32N8O12S 608.1861 NA PeJP NA NA +MJ085373 4-(4-Hydroxyphenyl)-2-butanone; O-[3,4,5-Trihydroxybenzoyl-(?2)-6-O-cinnamoyl-?-D-glucopyranoside] C32H32O12 608.189376 NA MeJP NA NA +MJ085374 4-(4-Hydroxyphenyl)-2-butanone; O-[3,4,5-Trihydroxybenzoyl-(?6)-2E-cinnamoyl-?-D-glucopyranoside] C32H32O12 608.189376 NA MeJP NA NA +PJ008531 GCDEW C25H32N6O10S 608.1901 NA PeJP NA NA +PJ008532 GSSDDE C21H32N6O15 608.1926 NA PeJP NA NA +PJ008533 GSPCDM C22H36N6O10S2 608.1935 NA PeJP NA NA +PJ008534 CNNQM C21H36N8O9S2 608.2047 NA PeJP NA NA +PJ008535 CDWW C29H32N6O7S 608.2053 NA PeJP NA NA +PJ008536 SSDDW C25H32N6O12 608.2078 NA PeJP NA NA +MJ085375 Nikkomycin RZ C25H32N6O12 608.20782 NA MeJP NA NA +PJ008537 PTCCW C26H36N6O7S2 608.2087 NA PeJP NA NA +FL2FABGM0002 Matteucinol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside;5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside C29H36O14 608.2105 348149-66-6 knapsack NA NA +FL2FABGM0003 Miconioside A;Matteucinol 7-O-alpha-L-arabinopyranosyl(1->6)-beta-D-glucopyranoside;5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-O-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside C29H36O14 608.2105 495396-19-5 knapsack NA NA +MJ085376 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C29H36O14 608.210505 NA MeJP NA NA +MJ085377 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] C29H36O14 608.210505 NA MeJP NA NA +MJ085378 2-(4-Hydroxyphenyl)ethanol; 1-O-[4-Hydroxy-3-methoxycinnamoyl-(?5)-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C29H36O14 608.210505 NA MeJP NA NA +MJ085379 4',5,7-Trihydroxy-6,8-dimethylflavanone, 4'-Me ether, 7-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C29H36O14 608.210505 NA MeJP NA NA +MJ085380 4',5,7-Trihydroxyflavanone, 5,7-Di-Me ether, 4'-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C29H36O14 608.210505 NA MeJP NA NA +MJ085381 Shanzhiside; 6-(4-Methoxycinnamoyl)(E), 8-Ac, Me ester C29H36O14 608.210505 NA MeJP NA NA +MJ085382 Shanzhiside; 6-(4-Methoxycinnamoyl)(Z-), 8-Ac, Me ester C29H36O14 608.210505 NA MeJP NA NA +PJ008538 SNEEM C22H36N6O12S 608.2112 NA PeJP NA NA +PJ008539 PCQMM C23H40N6O7S3 608.2121 NA PeJP NA NA +PJ008540 CCNNR C20H36N10O8S2 608.2159 NA PeJP NA NA +MJ085383 N-Deacyltunicamycin C23H36N4O15 608.217716 NA MeJP NA NA +PJ008541 SCDER C21H36N8O11S 608.2224 NA PeJP NA NA +PJ008542 TCDDR C21H36N8O11S 608.2225 NA PeJP NA NA +PJ008543 PCCMR C22H40N8O6S3 608.2233 NA PeJP NA NA +MJ085384 1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 2-Ketone, 8,9-dibenzoyl, 1,6-di-Ac C33H36O11 608.225761 NA MeJP NA NA +PJ008544 GSEMW C26H36N6O9S 608.2265 NA PeJP NA NA +PJ008545 GSSTEE C22H36N6O14 608.229 NA PeJP NA NA +PJ008546 AQEMM C23H40N6O9S2 608.2298 NA PeJP NA NA +PJ008547 GAAEMM C23H40N6O9S2 608.2299 NA PeJP NA NA +PJ008548 SNDHH C23H32N10O10 608.2303 NA PeJP NA NA +MJ085385 Renieramycin A; 1-Oxo, Et ether C32H36N2O10 608.236995 NA MeJP NA NA +PJ008549 SSSSNQ C21H36N8O13 608.2402 NA PeJP NA NA +PJ008550 GDMMR C22H40N8O8S2 608.2411 NA PeJP NA NA +PJ008551 SMWW C30H36N6O6S 608.2417 NA PeJP NA NA +PJ008552 SSTEW C26H36N6O11 608.2442 NA PeJP NA NA +PJ008553 AAMMW C27H40N6O6S2 608.2451 NA PeJP NA NA +MJ085386 12,17-Epoxy-2,5,7,9,10,11-hexahydroxy-4(20)-taxen-13-one; 2,5,7,9,10-Penta-Ac C30H40O13 608.246891 NA MeJP NA NA +MJ085387 2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 2,3,5,7,15-Penta-Ac C30H40O13 608.246891 NA MeJP NA NA +MJ085388 5-Hydroxy-1,7-bis(4-hydroxyphenyl)-3-heptanone, 5-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C30H40O13 608.246891 NA MeJP NA NA +MJ085389 5-Hydroxy-1,7-bis(4-hydroxyphenyl)-3-heptanone, 5-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C30H40O13 608.246891 NA MeJP NA NA +MJ085390 8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; Penta-Ac C30H40O13 608.246891 NA MeJP NA NA +MJ085391 8,17-Epoxy-2,3,9,13,14-pentahydroxy-5,11-briaradien-18,7-olide, 11?,12?-Epoxide, 3-butanoyl, 2,9,14-tri-Ac C30H40O13 608.246891 NA MeJP NA NA +MJ085392 9,10-Dihydro-4-(hydroxymethyl)-1,8-dimethyl-2,7-phenanthrenediol; 2-Me ether, 1',7-di-O-?-D-glucopyranoside C30H40O13 608.246891 NA MeJP NA NA +MJ085393 Bruceanol G C30H40O13 608.246891 NA MeJP NA NA +MJ085394 Patrinoside; 7-[3-(4-Hydroxyphenyl)-2-propenoyl](E) C30H40O13 608.246891 NA MeJP NA NA +MJ085395 Agelasine G C31H42BrN6O2(+) 608.247437 NA MeJP NA NA +PJ008554 SDKEM C23H40N6O11S 608.2476 NA PeJP NA NA +PJ008555 TYYY C31H36N4O9 608.2482 NA PeJP NA NA +PJ008556 PCKMM C24H44N6O6S3 608.2485 NA PeJP NA NA +PJ008557 GQMHH C24H36N10O7S 608.2489 NA PeJP NA NA +PJ008558 GGAMHH C24H36N10O7S 608.249 NA PeJP NA NA +MJ085396 Punjabine; Me ether, 1'''-alcohol C36H36N2O7 608.252251 NA MeJP NA NA +MJ085397 Somniferine C36H36N2O7 608.252251 NA MeJP NA NA +MJ085398 Thalmiculimine; O12-De-Me C36H36N2O7 608.252251 NA MeJP NA NA +MJ085399 Allosamidin; N-De-Me C24H40N4O14 608.254102 NA MeJP NA NA +PJ008559 ANNQY C25H36N8O10 608.2554 NA PeJP NA NA +PJ008560 GNQQY C25H36N8O10 608.2555 NA PeJP NA NA +PJ008561 SSEMR C22H40N8O10S 608.2588 NA PeJP NA NA +PJ008562 GSPYW C30H36N6O8 608.2595 NA PeJP NA NA +PJ008563 GCHHR C23H36N12O6S 608.2602 NA PeJP NA NA +MJ085400 17-Hydroxyingenol; 13?-Acetoxy, 17-benzoyl, 3-angeloyl C34H40O10 608.262147 NA MeJP NA NA +MJ085401 Antibiotic NK 00634-5 C34H40O10 608.262147 NA MeJP NA NA +PJ008564 ATTMW C27H40N6O8S 608.2628 NA PeJP NA NA +PJ008565 SSVMW C27H40N6O8S 608.2629 NA PeJP NA NA +HMDB00683 Harderoporphyrin C35H36N4O6 608.263489 NA HMDB2010 NA NA +HMDB00683 Harderoporphyrin C35H36N4O6 608.26349 http://www.hmdb.ca/metabolites/HMDB00683 HMDB NA NA +HMDB00683 Harderoporphyrin C35H36N4O6 608.26349 HMDB00683 PFEM_hmdb_metabocards_official NA NA +PJ008566 ASTTTE C23H40N6O13 608.2653 NA PeJP NA NA +PJ008567 SSSSLE C23H40N6O13 608.2654 NA PeJP NA NA +PJ008568 AKEMM C24H44N6O8S2 608.2662 NA PeJP NA NA +PJ008569 STQHH C24H36N10O9 608.2667 NA PeJP NA NA +MJ085402 Ergost-24(28)-ene-2,3,21,26-tetrol, 3,21-Disulfate C28H48O10S2 608.268889 NA MeJP NA NA +MJ085403 Ergost-24(28)-ene-3,4,11,21-tetrol, 3,21-Disulfate C28H48O10S2 608.268889 NA MeJP NA NA +MJ085404 Methoserpidine C33H40N2O9 608.27338 NA MeJP NA NA +MJ085405 Reserpine C33H40N2O9 608.27338 NA MeJP NA NA +MJ085406 Subhirsine C33H40N2O9 608.27338 NA MeJP NA NA +C06539 Reserpine C33H40N2O9 608.2734 NA KEGG NA NA +PJ008570 APCRY C26H40N8O7S 608.2741 NA PeJP NA NA +PJ008571 AFWW C34H36N6O5 608.2747 NA PeJP NA NA +PJ008572 SSSSNK C22H40N8O12 608.2766 NA PeJP NA NA +PJ008573 ATMMR C23H44N8O7S2 608.2775 NA PeJP NA NA +PJ008574 TTTTW C27H40N6O10 608.2806 NA PeJP NA NA +MJ085407 2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-(3-Methylbutanoyl), 3-angeloyl, 8-butanoyl, 10-Ac C31H44O12 608.283276 NA MeJP NA NA +MJ085408 3,5,11,14-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-L-Talomethyloside, 11-Ac C31H44O12 608.283276 NA MeJP NA NA +MJ085409 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[6-O-Acetyl-?-D-allopyranoside] C31H44O12 608.283276 NA MeJP NA NA +MJ085410 3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-4-O-cis-(4-hydroxycinnamoyl)-?-D-glucopyranoside] C31H44O12 608.283276 NA MeJP NA NA +MJ085411 3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-4-O-trans-(4-hydroxycinnamoyl)-?-D-glucopyranoside] C31H44O12 608.283276 NA MeJP NA NA +MJ085412 3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C31H44O12 608.283276 NA MeJP NA NA +MJ085413 3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-Z-cinnamoyl-(?4)]-?-D-glucopyranoside] C31H44O12 608.283276 NA MeJP NA NA +MJ085414 3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxycinnamoyl-(?6)-]?-D-glucopyronoside] C31H44O12 608.283276 NA MeJP NA NA +MJ085415 4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 3-(2-Acetoxy-2-methylbutanoyl), 6,19-di-Ac C31H44O12 608.283276 NA MeJP NA NA +PJ008575 TTKEM C24H44N6O10S 608.284 NA PeJP NA NA +PJ008576 PPCHR C25H40N10O6S 608.2853 NA PeJP NA NA +C09357 Berbamine C37H40N2O6 608.2886 NA KEGG NA NA +C09458 Gyrocarpine C37H40N2O6 608.2886 NA KEGG NA NA +C09598 Oxyacanthine C37H40N2O6 608.2886 NA KEGG NA NA +C09615 Pycnamine C37H40N2O6 608.2886 NA KEGG NA NA +C09659 Thalmine C37H40N2O6 608.2886 NA KEGG NA NA +MJ085416 12-O-Methylcurine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085417 6',7,12'-Trimethoxy-2,2'-dimethyloxyacanth-6-ol C37H40N2O6 608.288637 NA MeJP NA NA +MJ085418 Antioquine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085419 Berbamine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085420 Chondocurine, O12-Me C37H40N2O6 608.288637 NA MeJP NA NA +MJ085421 Cissampentin C37H40N2O6 608.288637 NA MeJP NA NA +MJ085422 Curine, O7-Me C37H40N2O6 608.288637 NA MeJP NA NA +MJ085423 Cycleanine, N2'-De-Me C37H40N2O6 608.288637 NA MeJP NA NA +MJ085424 Cycleanine, O7-De-Me C37H40N2O6 608.288637 NA MeJP NA NA +MJ085425 Cycleanorine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085426 Dryadodaphnine; 6-Me ether C37H40N2O6 608.288637 NA MeJP NA NA +MJ085427 Dryadodaphnine; O12-Me ether C37H40N2O6 608.288637 NA MeJP NA NA +MJ085428 Fangchinoline C37H40N2O6 608.288637 NA MeJP NA NA +MJ085429 Gyroamericine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085430 Homoaromoline C37H40N2O6 608.288637 NA MeJP NA NA +MJ085431 Isotetrandrine; 2'-N-De-Me C37H40N2O6 608.288637 NA MeJP NA NA +MJ085432 Isotetrandrine; 2-N-De-Me C37H40N2O6 608.288637 NA MeJP NA NA +MJ085433 Isotetrandrine; O6-De-Me C37H40N2O6 608.288637 NA MeJP NA NA +MJ085434 Isothalicberine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085435 Khyberine; 7'-Me ether C37H40N2O6 608.288637 NA MeJP NA NA +MJ085436 Lauberine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085437 Limacusine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085438 Nemuarine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085439 O-Methylrepandine; O6'-De-Me C37H40N2O6 608.288637 NA MeJP NA NA +MJ085440 Obaberine; 2'-N-De-Me C37H40N2O6 608.288637 NA MeJP NA NA +MJ085441 Oxyacanthine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085442 Pakistanamine; O1-De-Me C37H40N2O6 608.288637 NA MeJP NA NA +MJ085443 Pakistanamine; O7'-De-Me C37H40N2O6 608.288637 NA MeJP NA NA +MJ085444 Pakistanine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085445 Panurensine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085446 Pycnamine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085447 Repandine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085448 Rodiasine; 2'-N-De-Me C37H40N2O6 608.288637 NA MeJP NA NA +MJ085449 Rodiasine; N-De-Me C37H40N2O6 608.288637 NA MeJP NA NA +MJ085450 Rodiasine; O6'-De-Me C37H40N2O6 608.288637 NA MeJP NA NA +MJ085451 Rupancamine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085452 Sciadenine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085453 Tetrandrine, N2-De-Me C37H40N2O6 608.288637 NA MeJP NA NA +MJ085454 Thalbadenzine; O6'-Me C37H40N2O6 608.288637 NA MeJP NA NA +MJ085455 Thalicberine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085456 Thaliphylline C37H40N2O6 608.288637 NA MeJP NA NA +MJ085457 Thalmine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085458 Thalrugosine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085459 Tiliageine C37H40N2O6 608.288637 NA MeJP NA NA +MJ085460 Warifteine; 1,2-Dihydro, 7'-Me ether C37H40N2O6 608.288637 NA MeJP NA NA +MJ085461 Aromoline, 2'-N-Me C37H41N2O6(+) 608.288637 NA MeJP NA NA +PJ008577 SSPRY C26H40N8O9 608.2918 NA PeJP NA NA +PJ008578 AAERY C26H40N8O9 608.2919 NA PeJP NA NA +PJ008579 TTTMR C23H44N8O9S 608.2952 NA PeJP NA NA +PJ008580 LQYW C31H40N6O7 608.2959 NA PeJP NA NA +C09068 Candletoxin A C35H44O9 608.2985 NA KEGG NA NA +MJ085462 4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-Cinnamoyl, 2,10,13-tri-Ac C35H44O9 608.298533 NA MeJP NA NA +MJ085463 4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-Cinnamoyl, 2,9,13-tri-Ac C35H44O9 608.298533 NA MeJP NA NA +MJ085464 4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-Cinnamoyl, 9,10,13-tri-Ac C35H44O9 608.298533 NA MeJP NA NA +MJ085465 4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-Cinnamoyl, 7,9,10-tri-Ac C35H44O9 608.298533 NA MeJP NA NA +MJ085466 4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-Cinnamoyl, 9,10,13-tri-Ac C35H44O9 608.298533 NA MeJP NA NA +MJ085467 4,9,13,16,20-Pentahydroxy-1,6-tigliadien-3-one, 16-(2-Methylbutanoyl), 13-(phenylacetyl), 20-Ac C35H44O9 608.298533 NA MeJP NA NA +PJ008581 APKMY C28H44N6O7S 608.2992 NA PeJP NA NA +PJ008582 GAALMF C28H44N6O7S 608.2993 NA PeJP NA NA +MJ085468 Methyl 5-[[[3-(4,4-diphenyl-1-piperidinyl)propyl]amino]carbonyl]-1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-3-pyridinecarboxylate C36H40N4O5 608.29987 NA MeJP NA NA +PJ008583 SSTTTL C24H44N6O12 608.3017 NA PeJP NA NA +PJ008584 SLKMM C25H48N6O7S2 608.3026 NA PeJP NA NA +PJ008585 DRRY C25H40N10O8 608.3031 NA PeJP NA NA +4013 LDC, beta-chain ISCDKF 608.3049 antifungal Inhouse_peptide NA peptide +PJ008586 TFRW C30H40N8O6 608.3071 NA PeJP NA NA +MJ085469 Convolvidine C34H44N2O8 608.309766 NA MeJP NA NA +PJ008587 GVMFR C27H44N8O6S 608.3105 NA PeJP NA NA +MJ085470 Microginin 91A; 10-Chloro C28H50Cl2N4O6 608.31074 NA MeJP NA NA +MJ085471 Exochelin MS C23H44N8O11 608.312954 NA MeJP NA NA +PJ008588 CCKKK C24H48N8O6S2 608.3139 NA PeJP NA NA +PJ008589 GLKEY C28H44N6O9 608.317 NA PeJP NA NA +MJ085472 Rocuronium(1+); Bromide C32H53BrN2O4 608.31887 NA MeJP NA NA +MJ085473 1,10-Epoxy-11-germacrene-2,3,4,5,8,9-hexol, 3,9-Diangeloyl, 8-(2-methylbutanoyl), 2-Ac C32H48O11 608.319662 NA MeJP NA NA +MJ085474 1,10-Epoxy-11-germacrene-2,3,4,5,8,9-hexol, 3,9-Diangeloyl, 8-(2-methylbutanoyl), 5-Ac C32H48O11 608.319662 NA MeJP NA NA +MJ085475 1,3-Dihydroxypregna-5,16-dien-20-one, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C32H48O11 608.319662 NA MeJP NA NA +MJ085476 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(6-O-Propanoyl-?-D-allopyranoside) C32H48O11 608.319662 NA MeJP NA NA +PJ008590 MFRR C26H44N10O5S 608.3217 NA PeJP NA NA +2707 erythromycin inhibitor MFKAL 608.3234 NA Inhouse_peptide NA peptide +MJ085477 Jolantinine C38H44N2O5 608.325022 NA MeJP NA NA +PJ008591 GTLRY C27H44N8O8 608.3282 NA PeJP NA NA +PJ008592 GGGPPPK C27H44N8O8 608.3283 NA PeJP NA NA +PJ008593 LKYW C32H44N6O6 608.3322 NA PeJP NA NA +MJ085478 Microcin SF608 C32H44N6O6 608.332233 NA MeJP NA NA +PJ008594 PPPLW C32H44N6O6 608.3323 NA PeJP NA NA +MJ085479 34-Ethylhuratoxin; 26,27,28,29-Tetradehydro C36H48O8 608.334918 NA MeJP NA NA +MJ085480 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-(2,4,6,8-Tetradecatetraenoyl), 13-Ac C36H48O8 608.334918 NA MeJP NA NA +MJ085481 Vulgaroside; 25-Cinnamoyl, 24-Ac C36H48O8 608.334918 NA MeJP NA NA +PJ008595 ALKMF C29H48N6O6S 608.3356 NA PeJP NA NA +PJ008596 SPLHR C26H44N10O7 608.3395 NA PeJP NA NA +PJ008597 SVLKY C29H48N6O8 608.3534 NA PeJP NA NA +MJ085482 3,5,7,8,9,15-Hexahydroxy-6(17),11-jatrophadien-14-one, 8-(2-Methylbutanoyl), 5,7-bis(methylpropanoyl) C33H52O10 608.356047 NA MeJP NA NA +MJ085483 3,5,7,8,9,15-Hexahydroxy-6(17),11-jatrophadien-14-one, x,y-Bis(2-methylpropanoyl), z-(2-methylbutanoyl) C33H52O10 608.356047 NA MeJP NA NA +MJ085484 Antibiotic MA 2664-I C33H52O10 608.356047 NA MeJP NA NA +MJ085485 Spirost-5-ene-3,17,27-triol, 3-O-?-D-Galactopyranoside C33H52O10 608.356047 NA MeJP NA NA +MJ085486 Strevertenes; Strevertene D C33H52O10 608.356047 NA MeJP NA NA +MJ085487 Strevertenes; Strevertene E C33H52O10 608.356047 NA MeJP NA NA +PJ008598 VLLQH C28H48N8O7 608.3646 NA PeJP NA NA +MJ085488 Antibiotic SB 291071; Homologue (R = -C15H29) C32H52N2O9 608.367281 NA MeJP NA NA +MJ085489 2,3-Dihydroxy-12-lupen-28-oic acid, 3-(3,4-Dihydroxybenzoyl) C37H52O7 608.371304 NA MeJP NA NA +MJ085490 20(29)-Lupene-2,3,28-triol, 28-Carboxylic acid, 2-(3,4-dihydroxybenzoyl) C37H52O7 608.371304 NA MeJP NA NA +MJ085491 3,16,21,23-Tetrahydroxy-12-oxo-30-oleananal, 21-Benzoyl C37H52O7 608.371304 NA MeJP NA NA +PJ008599 ALLHR C27H48N10O6 608.3759 NA PeJP NA NA +PJ008600 GPPLLL C30H52N6O7 608.3898 NA PeJP NA NA +MJ085492 Furostane-3,22,26-triol, 3-Ketone, 22-Me ether, 26-O-?-D-glucopyranoside C34H56O9 608.392433 NA MeJP NA NA +MJ085493 Pregn-5-ene-3,14,20-triol, 3-O-[2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C34H56O9 608.392433 NA MeJP NA NA +PJ008601 VLLKH C29H52N8O6 608.401 NA PeJP NA NA +MJ085494 Haliclotriol A C38H56O6 608.407689 NA MeJP NA NA +MJ085495 Batzelladine H C35H57N6O3(+) 608.441389 NA MeJP NA NA +MJ085496 4'-O-Geranylsinapyl alcohol; 1-O-(9,12-Octadecadienoyl)(Z,Z) C39H60O5 608.444075 NA MeJP NA NA +HMDB07338 DG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C39H60O5 608.444092 NA HMDB2010 NA NA +MJ085497 Dimethylmenaquinone C43H60O2 608.459331 NA MeJP NA NA +MJ085498 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 3,17-Diundecanoyl C40H64O4 608.48046 NA MeJP NA NA +MJ085499 Hexahydro-3-(28-hydroxy-20(29)-lupen-3-yl)-4,7-dimethylcyclopenta[c]pyran-1(3H)-one C40H64O4 608.48046 NA MeJP NA NA +MJ085500 2,4-cis-Venezinone C37H68O6 608.501589 NA MeJP NA NA +MJ085501 Annomontacin; 4-Deoxy C37H68O6 608.501589 NA MeJP NA NA +MJ085502 Calamistrin A C37H68O6 608.501589 NA MeJP NA NA +MJ085503 Calamistrin C C37H68O6 608.501589 NA MeJP NA NA +MJ085504 Glaucabellin C37H68O6 608.501589 NA MeJP NA NA +MJ085505 Jahnonacin C37H68O6 608.501589 NA MeJP NA NA +MJ085506 Longicoricin C37H68O6 608.501589 NA MeJP NA NA +MJ085507 Muricatenol C37H68O6 608.501589 NA MeJP NA NA +MJ085508 Tonkinecin C37H68O6 608.501589 NA MeJP NA NA +HMDB07079 DG(15:0/20:1(11Z)/0:0) C38H72O5 608.537964 NA HMDB2010 NA NA +HMDB07387 DG(20:1(11Z)/15:0/0:0) C38H72O5 608.537964 NA HMDB2010 NA NA +MJ085509 12-Oleanen-3-ol, O-Dodecanoyl C42H72O2 608.553231 NA MeJP NA NA +MJ085510 12-Ursen-3-ol, Dodecanoyl C42H72O2 608.553231 NA MeJP NA NA +MJ085511 Achilleol A; Dodecanoyl C42H72O2 608.553231 NA MeJP NA NA +MJ085512 3-O-Sulfo-?-D-galactopyranosyl(1?3)-[(?-L-fucopyranosyl)(1?4)]-2-acetamido-2-deoxy-D-glucopyranose C20H35NO18S 609.157484 NA MeJP NA NA +PJ008602 DDDDM C21H31N5O14S 609.1589 NA PeJP NA NA +FL7AADGL0013 Peonidin 3-(6''-p-coumarylglucoside) C31H29O13 609.16081 139973-96-9<BR>71802-54-5<BR>114128-01-7 knapsack NA NA +FL7ARXGL0004 Malvidin 3-glucoside-4-vinylphenol C31H29O13 609.16081 388089-39-2 knapsack NA NA +PJ008603 GSCNDD C20H31N7O13S 609.1701 NA PeJP NA NA +PJ008604 APCCCN C21H35N7O8S3 609.1709 NA PeJP NA NA +PJ008605 GPCCCQ C21H35N7O8S3 609.171 NA PeJP NA NA +FL7AADGL0006 Peonidin 3-rutinoside C28H33O15 609.18194 27539-32-8 knapsack NA NA +FL7AADGS0003 Peonidin 3-rhamnoside-5-glucoside C28H33O15 609.18194 53859-11-3 knapsack NA NA +PJ008606 CNNEM C21H35N7O10S2 609.1887 NA PeJP NA NA +PJ008607 SDEEM C22H35N5O13S 609.1952 NA PeJP NA NA +PJ008608 PCEMM C23H39N5O8S3 609.1961 NA PeJP NA NA +PJ008609 CCNDR C20H35N9O9S2 609.1999 NA PeJP NA NA +PJ008610 GGCCDR C20H35N9O9S2 609.2 NA PeJP NA NA +PJ008611 GCNMW C25H35N7O7S2 609.204 NA PeJP NA NA +MJ085513 Geodiamolide L; Bromo analogue C28H40BrN3O7 609.204963 NA MeJP NA NA +MJ085514 Geodiamolide O; Bromo analogue C28H40BrN3O7 609.204963 NA MeJP NA NA +MJ085515 3-Acetyloxy-8-chloro-2,3-dihydro-2-(4-methoxyphenyl)-5-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-1,5-benzothiazepin-4(5H)-one C32H36ClN3O5S 609.206419 NA MeJP NA NA +PJ008612 GSSNDM C21H35N7O12S 609.2065 NA PeJP NA NA +PJ008613 GPCCCK C22H39N7O7S3 609.2073 NA PeJP NA NA +PJ008614 PCDEF C26H35N5O10S 609.2105 NA PeJP NA NA +MJ085516 Kirigamycin A C22H35N5O15 609.212965 NA MeJP NA NA +PJ008615 AEEMM C23H39N5O10S2 609.2139 NA PeJP NA NA +PJ008616 SDDHH C23H31N9O11 609.2143 NA PeJP NA NA +MJ085517 N-[6-[(2,3-Dihydroxypropoxy)-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)-4-pyrimidinyl]]-4-(1,1-dimethylethyl)benzenesulfonamide C31H35N3O8S 609.214485 NA MeJP NA NA +PJ008617 SSCQW C25H35N7O9S 609.2217 NA PeJP NA NA +PJ008618 SSSSNE C21H35N7O14 609.2242 NA PeJP NA NA +PJ008619 SNQMM C22H39N7O9S2 609.2251 NA PeJP NA NA +PJ008620 SPDEY C26H35N5O12 609.2282 NA PeJP NA NA +PJ008621 GEEEF C26H35N5O12 609.2283 NA PeJP NA NA +PJ008622 PPCMY C27H39N5O7S2 609.2291 NA PeJP NA NA +PJ008623 TTEEM C23H39N5O12S 609.2316 NA PeJP NA NA +PJ008624 PTMMM C24H43N5O7S3 609.2325 NA PeJP NA NA +PJ008625 GEMHH C24H35N9O8S 609.233 NA PeJP NA NA +PJ008626 SCNMR C21H39N9O8S2 609.2363 NA PeJP NA NA +PJ008627 GCHFF C29H35N7O6S 609.237 NA PeJP NA NA +HMDB06730 QYNAD C25H35N7O11 609.23944 http://www.hmdb.ca/metabolites/HMDB06730 HMDB NA NA +HMDB06730 QYNAD C25H35N7O11 609.23944 HMDB06730 PFEM_hmdb_metabocards_official NA NA +HMDB06730 QYNAD C25H35N7O11 609.239441 NA HMDB2010 NA NA +PJ008628 GSSSSW C25H35N7O11 609.2395 NA PeJP NA NA +PJ008629 ACCKW C26H39N7O6S2 609.2403 NA PeJP NA NA +PJ008630 GSSTQM C22H39N7O11S 609.2428 NA PeJP NA NA +PJ008631 GGGSTTM C22H39N7O11S 609.2429 NA PeJP NA NA +PJ008632 EEFW C30H35N5O9 609.2435 NA PeJP NA NA +PJ008633 APEMY C27H39N5O9S 609.2469 NA PeJP NA NA +PJ008634 MHHW C28H35N9O5S 609.2482 NA PeJP NA NA +PJ008635 SLEMM C24H43N5O9S2 609.2502 NA PeJP NA NA +PJ008636 STEHH C24H35N9O10 609.2507 NA PeJP NA NA +PJ008637 GSSTCR C21H39N9O10S 609.2541 NA PeJP NA NA +PJ008638 NQYW C29H35N7O8 609.2547 NA PeJP NA NA +PJ008639 SSCKW C26H39N7O8S 609.2581 NA PeJP NA NA +PJ008640 SSSSDK C22H39N7O13 609.2606 NA PeJP NA NA +PJ008641 SNKMM C23H43N7O8S2 609.2615 NA PeJP NA NA +PJ008642 PPCFF C31H39N5O6S 609.2621 NA PeJP NA NA +PJ008643 GLEEY C27H39N5O11 609.2646 NA PeJP NA NA +PJ008644 PCLMF C28H43N5O6S2 609.2655 NA PeJP NA NA +PJ008645 GPNHW C28H35N9O7 609.266 NA PeJP NA NA +PJ008646 VVMMM C25H47N5O6S3 609.2689 NA PeJP NA NA +PJ008647 GCQFR C25H39N9O7S 609.2693 NA PeJP NA NA +PJ008648 GGACFR C25H39N9O7S 609.2694 NA PeJP NA NA +PJ008649 SSSSSR C21H39N9O12 609.2718 NA PeJP NA NA +PJ008650 TCCKR C22H43N9O7S2 609.2727 NA PeJP NA NA +PJ008651 SVNQY C26H39N7O10 609.2758 NA PeJP NA NA +PJ008652 GNKEY C26H39N7O10 609.2759 NA PeJP NA NA +PJ008653 GSSTKM C23H43N7O10S 609.2792 NA PeJP NA NA +PJ008654 LEYW C31H39N5O8 609.2799 NA PeJP NA NA +PJ008655 SPLMY C28H43N5O8S 609.2832 NA PeJP NA NA +PJ008656 ALEMF C28H43N5O8S 609.2833 NA PeJP NA NA +MJ085518 Niguldipine C36H39N3O6 609.283885 NA MeJP NA NA +C11236 Niguldipine C36H39N3O6 609.2839 NA KEGG NA NA +PJ008657 GSQRY C25H39N9O9 609.2871 NA PeJP NA NA +PJ008658 NKYW C30H39N7O7 609.2911 NA PeJP NA NA +PJ008659 GQKMF C27H43N7O7S 609.2945 NA PeJP NA NA +C09164 Ergocristine C35H39N5O5 609.2951 NA KEGG NA NA +MJ085519 Ergocristine C35H39N5O5 609.295119 NA MeJP NA NA +C07547 Tubocurarine C37H41N2O6 609.2965 NA KEGG NA NA +C09580 Macoline C37H41N2O6 609.2965 NA KEGG NA NA +PJ008660 SSSTTK C23H43N7O12 609.297 NA PeJP NA NA +PJ008661 TCKKM C24H47N7O7S2 609.2979 NA PeJP NA NA +PJ008662 SPNHR C24H39N11O8 609.2983 NA PeJP NA NA +PJ008663 SVLEY C28H43N5O10 609.301 NA PeJP NA NA +PJ008664 GLHHF C29H39N9O6 609.3024 NA PeJP NA NA +PJ008665 GCKFR C26H43N9O6S 609.3057 NA PeJP NA NA +PJ008666 GDKKY C27H43N7O9 609.3122 NA PeJP NA NA +PJ008667 GAATKY C27H43N7O9 609.3123 NA PeJP NA NA +PJ008668 APLFY C32H43N5O7 609.3163 NA PeJP NA NA +PJ008669 ALLMY C29H47N5O7S 609.3196 NA PeJP NA NA +PJ008670 GSKRY C26H43N9O8 609.3235 NA PeJP NA NA +MJ085520 Chymostatin; Chymostatin A, 1'-Alcohol C31H43N7O6 609.327482 NA MeJP NA NA +MJ085521 Chymostatin; Chymostatin C, 1'-Alcohol C31H43N7O6 609.327482 NA MeJP NA NA +MJ085522 Segetalin A C31H43N7O6 609.327482 NA MeJP NA NA +PJ008671 PPLHF C31H43N7O6 609.3275 NA PeJP NA NA +MJ085523 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-(3-Dimethylamino-3-phenylpropanoyl), 2,10-di-Ac C35H47NO8 609.330167 NA MeJP NA NA +MJ085524 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-(3-Dimethylamino-3-phenylpropanoyl), 2,9-di-Ac C35H47NO8 609.330167 NA MeJP NA NA +MJ085525 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-(3-Dimethylamino-3-phenylpropanoyl), 9,10-di-Ac C35H47NO8 609.330167 NA MeJP NA NA +MJ085526 Rhizoxin; 2,3-Deepoxy, 2,3-didehydro C35H47NO8 609.330167 NA MeJP NA NA +PJ008672 GKKMF C28H47N7O6S 609.3309 NA PeJP NA NA +PJ008673 GLQHR C25H43N11O7 609.3347 NA PeJP NA NA +MJ085527 Destruxin D; Destruxin D2 C29H47N5O9 609.337378 NA MeJP NA NA +PJ008674 TTLLY C29H47N5O9 609.3374 NA PeJP NA NA +PJ008675 AAHRR C24H43N13O6 609.346 NA PeJP NA NA +PJ008676 ATKKY C28H47N7O8 609.3486 NA PeJP NA NA +MJ085528 Apicidin; Pyrrolidine analogue C33H47N5O6 609.352634 NA MeJP NA NA +MJ085529 Apicidin; Valine analogue C33H47N5O6 609.352634 NA MeJP NA NA +PJ008677 ALLFF C33H47N5O6 609.3527 NA PeJP NA NA +PJ008678 PPLQR C27H47N9O7 609.3599 NA PeJP NA NA +MJ085530 Boophiline C33H55NO7S 609.369923 NA MeJP NA NA +PJ008679 GLKHR C26H47N11O6 609.3711 NA PeJP NA NA +MJ085531 Destruxin C; Destruxin C C30H51N5O8 609.373763 NA MeJP NA NA +PJ008680 GPPVLK C29H51N7O7 609.385 NA PeJP NA NA +MJ085532 Juvenimicin B1; 3-Ac C33H55NO9 609.387682 NA MeJP NA NA +PJ008681 PPLKR C28H51N9O6 609.3963 NA PeJP NA NA +EUR922 Lyso PE 24:1 [M+FA-H]- C29H58NO7P 609.399972 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR922 Lyso PE 24:1 [M+FA-H]- C29H58NO7P 609.399972 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR922 Lyso PE 24:1 [M+FA-H]- C29H58NO7P 609.399972 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR922 Lyso PE 24:1 [M+FA-H]- C29H58NO7P 609.399972 masses lipides attendues Inhousejuil11 NA NA +EUR753 Lyso PC 20:1 [M-H+acetate]- C28H56NO7P 609.400542 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR753 Lyso PC 20:1 [M-H+acetate]- C28H56NO7P 609.400542 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR753 Lyso PC 20:1 [M-H+acetate]- C28H56NO7P 609.400542 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR753 Lyso PC 20:1 [M-H+acetate]- C28H56NO7P 609.400542 masses lipides attendues Inhousejuil11 NA NA +MJ085533 Myxovirescin A; Myxovirescin A1, 13-De-Et, 13-Me C34H59NO8 609.424067 NA MeJP NA NA +MJ085534 Myxovirescin A; Myxovirescin A1, 33-O-De-Me C34H59NO8 609.424067 NA MeJP NA NA +MJ085535 Myxovirescin A; Myxovirescin A1, 4-Epimer, 33-O-de-Me C34H59NO8 609.424067 NA MeJP NA NA +MJ085536 Myxovirescin A; Myxovirescin A1, 4-Epimer, 9-deoxo C35H63NO7 609.460453 NA MeJP NA NA +MJ085537 Myxovirescin A; Myxovirescin A1, 9-Deoxo C35H63NO7 609.460453 NA MeJP NA NA +MJ085538 Rubrolide G C17H10Br4O5 609.726174 NA MeJP NA NA +7037 synthetic peptide from alpha-gliadin ALQTLPAMCNVY 609.80665 MH2+ Inhouse_peptide NA peptide +3701 NA ENRKQDKRF 609.8139 MH2+ Inhouse_peptide NA peptide +MJ085539 Saprisartan C25H22BrF3N4O4S 610.049723 NA MeJP NA NA +MJ085540 Diphenazithionin C30H18N4O9S 610.079448 NA MeJP NA NA +MJ085541 3,3',4',5,5',7-Hexahydroxyflavan, 3,3'-Bis(3,4,5-trihydroxybenzoyl) C29H22O15 610.09587 NA MeJP NA NA +MJ085542 3,3',4',5,5',7-Hexahydroxyflavan, 3,4'-Bis(3,4,5-trihydroxybenzoyl) C29H22O15 610.09587 NA MeJP NA NA +MJ085543 3,3',4',5,5',7-Hexahydroxyflavan, 3,5-Bis(3,4,5-trihydroxybenzoyl) C29H22O15 610.09587 NA MeJP NA NA +MJ085544 3,3',4',5,5',7-Hexahydroxyflavan, 5,7-Bis(3,4,5-trihydroxybenzoyl) C29H22O15 610.09587 NA MeJP NA NA +MJ085545 3,3',4',5,5',7-Hexahydroxyflavan, 3',7-Bis-O-(3,4,5-trihydroxybenzoyl) C29H22O15 610.09587 NA MeJP NA NA +MJ085546 3,3',4',5,5',7-Hexahydroxyflavan, 4',7-Bis-O-(3,4,5-trihydroxybenzoyl) C29H22O15 610.09587 NA MeJP NA NA +FL63AGNS0009 Epigallocatechin 3,5,-di-O-gallate C29H22O15 610.09587 37484-73-4 knapsack NA NA +FL63AGNS0010 Epigallocatechin 3,3',-di-O-gallate C29H22O15 610.09587 89013-66-1 knapsack NA NA +FL63AGNS0011 Epigallocatechin 3,4',-di-O-gallate C29H22O15 610.09587 89013-67-2 knapsack NA NA +FL63AGNS0012 Epigallocatechin 5,7,-di-O-gallate C29H22O15 610.09587 96658-19-4 knapsack NA NA +FL63AGNS0013 Gallocatechin 7,3'-di-O-gallate C29H22O15 610.09587 142784-35-8 knapsack NA NA +FL63AGNS0014 Gallocatechin 7,4'-di-O-gallate C29H22O15 610.09587 142784-36-9 knapsack NA NA +MJ085547 Dolabellin C24H32Cl2N2O8S2 610.097712 NA MeJP NA NA +MJ085548 Ellagic acid; 2-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C26H26O17 610.116999 NA MeJP NA NA +FL3FACCS0036 Isoorientin 2''-O-(E)-caffeate;2''-trans-Caffeoylisoorientin C30H26O14 610.13225 57186-26-2 knapsack NA NA +FL3FACCS0043 Orientin 7-O-caffeate C30H26O14 610.13225 156298-99-6 knapsack NA NA +FL3FACCS0058 Isoorientin 6''-O-caffeate C30H26O14 610.13225 172377-88-7 knapsack NA NA +FL3FACCS0061 Orientin 2''-O-caffeate C30H26O14 610.13225 220726-08-9 knapsack NA NA +FL5FAAGS0106 Kaempferol 3-(6''-caffeoylglucoside);3-[[6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C30H26O14 610.13225 190328-43-9 knapsack NA NA +FL5FACGL0057 Quercetin 3-(2''-p-coumarylglucoside) C30H26O14 610.13225 115909-21-2 knapsack NA NA +FL5FACGL0058 Quercetin 3-(3''-p-coumarylglucoside) C30H26O14 610.13225 70286-61-2<BR>67214-04-4 knapsack NA NA +FL5FACGL0059 Helichrysoside C30H26O14 610.13225 56343-26-1 knapsack NA NA +MJ085549 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan C30H26O14 610.132255 NA MeJP NA NA +MJ085550 Astragalin; 6''-O-(3,4-Dihydroxy-E-cinnamoyl) C30H26O14 610.132255 NA MeJP NA NA +MJ085551 Ergochromes; Ergochrome CC C30H26O14 610.132255 NA MeJP NA NA +MJ085552 Floccosin C30H26O14 610.132255 NA MeJP NA NA +MJ085553 Isoorientin; 2''-O-(3,4-Dihydroxycinnamoyl) C30H26O14 610.132255 NA MeJP NA NA +MJ085554 Isoorientin; 6''-O-(3,4-Dihydroxy-E-cinnnamoyl) C30H26O14 610.132255 NA MeJP NA NA +MJ085555 Isoquercitrin; 2''-O-(4-Hydroxycinnamoyl) C30H26O14 610.132255 NA MeJP NA NA +MJ085556 Isoquercitrin; 3''-O-(4-Hydroxycinnamoyl) C30H26O14 610.132255 NA MeJP NA NA +MJ085557 Isoquercitrin; 6''-O-(4-Hydroxycinnamoyl) C30H26O14 610.132255 NA MeJP NA NA +MJ085558 Isoquercitrin; O''-(4-Hydroxycinnamoyl) C30H26O14 610.132255 NA MeJP NA NA +MJ085559 Orientin; 2''-O-(3,4-Dihydroxycinnamoyl) C30H26O14 610.132255 NA MeJP NA NA +MJ085560 Theasinensin C C30H26O14 610.132255 NA MeJP NA NA +MJ085561 Trifolin; 6''-O-(3,4-Dihydroxy-E-cinnamoyl) C30H26O14 610.132255 NA MeJP NA NA +MJ085562 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-galactopyranoside] C30H27O14(+) 610.132255 NA MeJP NA NA +MJ085563 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?3)-?-D-glucopyranoside] C30H27O14(+) 610.132255 NA MeJP NA NA +MJ085564 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] C30H27O14(+) 610.132255 NA MeJP NA NA +MJ085565 3,3',4',5,5',7-Hexahydroxyflavylium(1+); Glycoside C30H27O14(+) 610.132255 NA MeJP NA NA +MJ085566 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[3,4-Dihydroxycinnamoyl-(??)-?-D-glucopyranoside] C30H27O14(+) 610.132255 NA MeJP NA NA +C10227 Gallocatechin-(4alpha->8)-epigallocatechin C30H26O14 610.1323 NA KEGG NA NA +HMDB03249 Rutin C27H30O16 610.15338 http://www.hmdb.ca/metabolites/HMDB03249 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03249 Rutin C27H30O16 610.15338 http://www.hmdb.ca/metabolites/HMDB03249 HMDB NA NA +FL1AACGS0005 Aureusidin 4,6-diglucoside C27H30O16 610.15338 89648-26-0 knapsack NA NA +FL3FAADS0042 6-C-Glucosylkaempferol 3-O-glucoside C27H30O16 610.15338 562068-71-7 knapsack NA NA +FL3FACCS0025 Flavocannabiside C27H30O16 610.15338 64661-76-3 knapsack NA NA +FL3FACCS0029 Isoorientin 2''-O-glucopyranoside;Meloside L C27H30O16 610.15338 55196-48-0 knapsack NA NA +FL3FACCS0030 Isoorientin 6''-O-glucoside C27H30O16 610.15338 98568-80-0 knapsack NA NA +FL3FACCS0031 Isoorientin 2''-O-alpha-D-mannoside C27H30O16 610.15338 108195-77-3 knapsack NA NA +FL3FACCS0032 Lucenin 2 C27H30O16 610.15338 29428-58-8 knapsack NA NA +FL3FACCS0047 2''-O-beta-L-galactopyranosylorientin C27H30O16 610.15338 861691-37-4 knapsack NA NA +FL3FACCS0055 8-C-Glucosylquercetin 2''-O-rhamnoside C27H30O16 610.15338 182062-20-0 knapsack NA NA +FL3FACDS0002 Orientin 4'-glucoside C27H30O16 610.15338 38950-95-7 knapsack NA NA +FL3FACDS0003 Orientin 7-glucoside C27H30O16 610.15338 61361-16-8 knapsack NA NA +FL3FACDS0005 Isoorientin 4'-O-glucoside C27H30O16 610.15338 38950-96-8 knapsack NA NA +FL3FACDS0006 Lutonarin C27H30O16 610.15338 35450-86-3 knapsack NA NA +FL3FACDS0007 Isoorientin 3'-O-glucoside C27H30O16 610.15338 53098-95-6 knapsack NA NA +FL3FACDS0008 Isoorientin 7-O-galactoside C27H30O16 610.15338 119976-99-7 knapsack NA NA +FL3FACDS0009 Orientin 3'-O-glucoside C27H30O16 610.15338 85708-47-0 knapsack NA NA +FL3FACGS0025 Luteolin 7-gentiobioside C27H30O16 610.15338 70855-41-3 knapsack NA NA +FL3FACGS0026 Luteolin 7-laminaribioside C27H30O16 610.15338 29276-58-2 knapsack NA NA +FL3FACGS0027 Luteolin 7-allosyl-(1->2)-glucoside C27H30O16 610.15338 113471-89-9 knapsack NA NA +FL3FACGS0030 Luteolin 7,3'-diglucoside C27H30O16 610.15338 52187-80-1 knapsack NA NA +FL3FACGS0034 Luteolin 7,4'-diglucoside C27H30O16 610.15338 70404-47-6 knapsack NA NA +FL3FACGS0035 Luteolin 7-galactoside-4'-glucoside C27H30O16 610.15338 - knapsack NA NA +FL3FACGS0040 Luteolin 3',4'-diglucoside C27H30O16 610.15338 - knapsack NA NA +FL3FACGS0064 Luteolin 7-galactosyl-(1->6)-galactoside;2-(3,4-Dihydroxyphenyl)-7-[(6-O-beta-D-galactopyranosyl-beta-D-galactopyranosyl)oxy]-5-hydroxy-4H-1-benzopyran-4-one C27H30O16 610.15338 142561-45-3 knapsack NA NA +FL3FACGS0077 Luteolin 7-sophoroside;Luteolin 7-O-(beta-D-glucopyranosyl-2-glucopyranoside);2-(3,4-Dihydroxyphenyl)-7-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-4H-1-benzopyran-4-one C27H30O16 610.15338 52146-61-9 knapsack NA NA +FL3FECGS0015 6-Hydroxyluteolin 6-glucoside-3'-rhamnoside C27H30O16 610.15338 132391-78-7 knapsack NA NA +FL3FECGS0016 6-Hydroxyluteolin 7-rutinoside C27H30O16 610.15338 93252-38-1 knapsack NA NA +FL3FFAGS0004 Isoscutellarein 7-allosyl-(1->2)-glucoside C27H30O16 610.15338 96627-12-2 knapsack NA NA +FL3FFAGS0011 8-Hydroxyapigenin 7-sophoroside C27H30O16 610.15338 - knapsack NA NA +FL3FFAGS0014 8-Hydroxyapigenin 8-sophoroside;8-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C27H30O16 610.15338 68116-43-8 knapsack NA NA +FL5F1CGL0002 Fisetin 3,7-diglucoside C27H30O16 610.15338 83086-31-1 knapsack NA NA +FL5F1GGS0002 Robinetin 3-rutinoside;5-Deoxymyricetin 3-rutinoside;3,7,3',4',5'-Pentahydroxyflavone 3-rutinoside C27H30O16 610.15338 - knapsack NA NA +FL5F1LGL0001 3,7,2',3',4'-Pentahydroxyflavone 3-neohesperidoside C27H30O16 610.15338 83841-48-9 knapsack NA NA +FL5FAAGA0005 Panasenoside C27H30O16 610.15338 31512-06-8 knapsack NA NA +FL5FAAGA0006 Kaempferol 3-glucosyl-(1->6)-galactoside C27H30O16 610.15338 73803-52-8 knapsack NA NA +FL5FAAGA0009 Kaempferol 3,5-digalactoside C27H30O16 610.15338 91377-10-5 knapsack NA NA +FL5FAAGA0010 Kaempferol 3,7-digalactoside C27H30O16 610.15338 54557-66-3 knapsack NA NA +FL5FAAGA0012 Kaempferol 3-galactoside-4'-glucoside C27H30O16 610.15338 127419-65-2 knapsack NA NA +FL5FAAGL0006 Camelliaside C C27H30O16 610.15338 152390-63-1 knapsack NA NA +FL5FAAGL0007 Kaempferol 3-sophoroside C27H30O16 610.15338 19895-95-5 knapsack NA NA +FL5FAAGL0008 Kaempferol 3-gentiobioside C27H30O16 610.15338 22149-35-5 knapsack NA NA +FL5FAAGL0014 Kaempferol 3-glucoside-7-galactoside C27H30O16 610.15338 99883-42-8 knapsack NA NA +FL5FAAGL0015 Kaempferol 3,7-diglucoside C27H30O16 610.15338 25615-14-9 knapsack NA NA +FL5FAAGL0019 Kaempferol 3,4'-diglucoside;3-(beta-D-Glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one C27H30O16 610.15338 71939-16-7 knapsack NA NA +FL5FAAGS0073 Kaempferol 7-sophoroside;7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C27H30O16 610.15338 195621-97-7 knapsack NA NA +FL5FAAGS0074 Kaempferol 3,5-diglucoside;3,5-Bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C27H30O16 610.15338 205103-97-5 knapsack NA NA +FL5FAAGS0076 Kaempferol 7,4'-diglucoside;7-(beta-D-Glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-3,5-dihydroxy-4H-1-benzopyran-4-one C27H30O16 610.15338 87338-64-5 knapsack NA NA +FL5FACGA0009 Quercetin 3-rhamnosyl-(1->2)-galactoside C27H30O16 610.15338 117611-67-3 knapsack NA NA +FL5FACGA0010 Quercetin 3-robinobioside C27H30O16 610.15338 52525-35-6 knapsack NA NA +FL5FACGA0014 Quercetin 3-galactoside-7-rhamnoside C27H30O16 610.15338 38784-81-5 knapsack NA NA +FL5FACGL0012 Quercetin 3-neohesperidoside C27H30O16 610.15338 32453-36-4 knapsack NA NA +FL5FACGL0013 Rutin;3,3',4',5,7-Pentahydroxyflavone 3-rutinoside;3-Rutinosylquercetin;Birutan;Quercetin 3-beta-rutinoside;Quercetin 3-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside C27H30O16 610.15338 153-18-4 knapsack NA NA +FL5FACGL0016 Quercetin 3-glucoside-7-rhamnoside C27H30O16 610.15338 18016-58-5 knapsack NA NA +FL5FACGS0027 Quercetin 3-galactosyl-(1->4)-rhamnoside C27H30O16 610.15338 98618-77-0 knapsack NA NA +FL5FACGS0028 Quercetin 3-glucosyl-(1->2)-rhamnoside C27H30O16 610.15338 - knapsack NA NA +FL5FACGS0029 Quercetin 3-glucosyl-(1->4)-rhamnoside C27H30O16 610.15338 59262-54-3 knapsack NA NA +FL5FACGS0034 Quercetin 3-rhamnoside-7-glucoside C27H30O16 610.15338 17306-45-5 knapsack NA NA +FL5FACGS0038 Quercetin 7-rutinoside C27H30O16 610.15338 147714-62-3 knapsack NA NA +FL5FACGS0068 Quercetin 3-glucosyl-(1->2)-rhamnoside;3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C27H30O16 610.15338 143016-74-4 knapsack NA NA +FL5FACGS0069 Quercetin 3-galactosyl-(1->2)-rhamnoside;3-[(6-Deoxy-2-O-beta-D-galactopyranosyl-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C27H30O16 610.15338 189135-70-4 knapsack NA NA +FL5FACGS0072 Quercetin 3-rhamnoside-3'-glucoside;3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one C27H30O16 610.15338 200353-66-8 knapsack NA NA +FL5FADGA0002 Isorhamnetin 3-L-arabinopyranosyl-(1->6)-galactoside;Quercetin 3'-methyl ether 3-alpha-arabinopyranosyl-(1->6)-galactoside;3-[(6-O-alpha-L-arabinopyranosyl-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C27H30O16 610.15338 75909-23-8 knapsack NA NA +FL5FADGL0002 Isorhamnetin 3-vicianoside C27H30O16 610.15338 74365-54-1 knapsack NA NA +FL5FADGL0003 Isorhamnetin 3-sambubioside;Quercetin 3'-methyl ether 3-xylosyl-(1->2)-glucoside;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one C27H30O16 610.15338 142059-76-5 knapsack NA NA +FL5FADGL0004 Isorhamnetin 3-xylosyl-(1->6)-glucoside C27H30O16 610.15338 142905-19-9 knapsack NA NA +FL5FADGL0012 Isorhamnetin 3-glucoside-7-alpha-L-arabinopyranoside C27H30O16 610.15338 50819-03-9 knapsack NA NA +FL5FADGL0013 Isorhamnetin 3-glucoside-7-xyloside C27H30O16 610.15338 - knapsack NA NA +FL5FADGS0020 Isorhamnetin 3-xylosyl-(1->2)-galactoside;Quercetin 3'-methyl ether 3-xylosyl-(1->2)-galactoside;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy]-4H-1-benzopyran-4-one C27H30O16 610.15338 396679-28-0 knapsack NA NA +FL5FADGS0021 Isorhamnetin 3-apiosyl-(1->2)-glucoside;Quercetin 3'-methyl ether 3-apiosyl-(1->2)-glucoside;3-[(2-O-D-Apio-beta-D-furanosyl-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C27H30O16 610.15338 512172-32-6 knapsack NA NA +FL5FADGS0022 Isorhamnetin 3-apiosyl-(1->2)-galactoside;Quercetin 3'-methyl ether 3-apiosyl-(1->2)-galactoside;3-[(2-O-D-Apio-beta-D-furanosyl-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C27H30O16 610.15338 182355-30-2 knapsack NA NA +FL5FAGGS0019 Myricetin 3,4'-di-O-alpha-L-rhamnopyranoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-[4-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-3,5-dihydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one C27H30O16 610.15338 200353-68-0 knapsack NA NA +FL5FAGGS0022 Myricetin 3-rhamnosyl-(1->2)-rhamnoside;3-[[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C27H30O16 610.15338 244775-36-8 knapsack NA NA +FL5FCCGS0008 Quercetin 7-methyl ether 3-alpha-L-arabinopyranosyl-(1->3)-galactoside;Rhamnetin 3-alpha-L-arabinopyranosyl-(1->3)-galactoside;3-[(3-O-alpha-L-arabinopyranosyl-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C27H30O16 610.15338 475109-05-8 knapsack NA NA +FL5FDCGS0013 Quercetin 3-methyl ether 7-alpha-L-arabinofuranosyl-(1->6)-glucoside;7-[(6-O-alpha-L-Arabinofuranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-4H-1-benzopyran-4-one C27H30O16 610.15338 184485-41-4 knapsack NA NA +FL5FDGGS0004 Annulatin 7-rhamnoside-3'-xyloside C27H30O16 610.15338 93373-15-0 knapsack NA NA +FL5FEAGS0002 6-Hydroxykaempferol 7-rutinoside C27H30O16 610.15338 137196-24-8 knapsack NA NA +FL5FEAGS0021 6-Hydroxykaempferol 3-rutinoside;5,6,7,4'-Tetrahydroxyflavonol 3-O-rutinoside;3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C27H30O16 610.15338 205527-00-0 knapsack NA NA +FL5FFAGS0011 Herbacetin 7-glucosyl-(1->3)-rhamnoside C27H30O16 610.15338 86831-54-1 knapsack NA NA +FL5FFAGS0012 Herbacetin 7-rhamnoside-8-glucoside C27H30O16 610.15338 94696-40-9 knapsack NA NA +FL5FFAGS0014 Herbacetin 8-rutinoside C27H30O16 610.15338 106009-63-6 knapsack NA NA +FL5FFAGS0026 Herbacetin 3-rhamnoside-8-glucoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-8-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C27H30O16 610.15338 194609-62-6 knapsack NA NA +FL5FFCGS0024 Gossypetin 8-methyl ether 3-xylosyl-(1->2)-rhamnoside;3-[(6-Deoxy-2-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one C27H30O16 610.15338 223695-08-7 knapsack NA NA +FLIAACCS0005 Orobol 6,8-di-C-glucoside C27H30O16 610.15338 118949-94-3 knapsack NA NA +FLIAACGS0004 Orobol 7-O-sophoroside;Compactin(Genista) C27H30O16 610.15338 101072-83-7 knapsack NA NA +HMDB03249 Rutin C27H30O16 610.15338 http://www.hmdb.ca/metabolites/HMDB03249 PFEM_hmdb_metabocards_blood NA blood +HMDB03249 Rutin C27H30O16 610.15338 HMDB03249 PFEM_hmdb_metabocards_official NA NA +HMDB03249 Rutin C27H30O16 610.153381 NA HMDB2010 NA NA +MJ085567 Rutin C27H30O16 610.153384 NA MeJP NA NA +MJ085568 2',3,3',4',7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085569 2',3,4',5,7-Pentahydroxyflavone; Glycoside C27H30O16 610.153384 NA MeJP NA NA +MJ085570 2-(3,4-Dihydroxyphenyl)-4,6-dihydroxy-3-benzofurancarboxylic acid; [?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranosyl] ester C27H30O16 610.153384 NA MeJP NA NA +MJ085571 3',4',5,5',7-Pentahydroxy-3-methoxyflavone; 7-O-L-Rhamnopyranoside, 3'-O-?-D-xylopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085572 3',4',5,6,7-Pentahydroxyflavone; 3'-O-?-L-Rhamnopyranoside, 6-O-?-D-glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085573 3',4',5,6,7-Pentahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085574 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-[?-L-Arabinofuranosyl-(1?6)-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085575 3',4',5,7-Tetrahydroxyflavone; 3',4'-Di-O-?-D-glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085576 3',4',5,7-Tetrahydroxyflavone; 3',7-Di-O-?-D-glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085577 3',4',5,7-Tetrahydroxyflavone; 4',7-Di-O-?-D-glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085578 3',4',5,7-Tetrahydroxyflavone; 4'-O-?-D-Glucopyranoside, 7-O-?-D-galactopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085579 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Allopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085580 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085581 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Galactopyranosyl-(1??)-?-D-galactopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085582 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Galactopyranosyl-(1??)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085583 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-D-galactopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085584 3',4',5,7-Tetrahydroxyisoflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085585 3',4,4',6-Tetrahydroxyaurone; 4,6-Di-O-?-D-Glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085586 3,3',4',5,5',7-Hexahydroxyflavone; 3,4'-Di-O-?-L-rhamnopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085587 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085588 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1??)-?-L-rhamnopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085589 3,3',4',5,7-Pentahydroxy-8-methoxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085590 3,3',4',5,7-Pentahydroxyflavone; 3-O-(?-D-Glucofuranosyl-?-L-rhamnofuranoside) C27H30O16 610.153384 NA MeJP NA NA +MJ085591 3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Glucofuranoside, 5-O-?-L-rhamnofuranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085592 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactofuranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085593 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085594 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085595 3,3',4',5,7-Pentahydroxyflavone; O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085596 3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-[Arabinosyl-(1??)-galactoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085597 3,3',4',7-Tetrahydroxyflavone; 3,7-Di-O-?-D-glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085598 3,4',5,6,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085599 3,4',5,6,7-Pentahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085600 3,4',5,7,8-Pentahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 8-O-?-D-glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085601 3,4',5,7,8-Pentahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085602 3,4',5,7,8-Pentahydroxyflavone; 7-O-?-L-Rhamnopyranoside, 8-O-?-D-glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085603 3,4',5,7,8-Pentahydroxyflavone; 8-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085604 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-Arabinopyranoside, 7-O-?-D-glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085605 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)-?-D-galactopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085606 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085607 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085608 3,4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085609 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Xylopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085610 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-D-Xylopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085611 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-L-Arabinopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085612 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 7-O-Xyloside C27H30O16 610.153384 NA MeJP NA NA +MJ085613 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 7-O-?-L-Arabinopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085614 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; O''-D-Xylosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085615 4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085616 4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Mannopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085617 4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085618 4',5,7,8-Tetrahydroxyflavone; 4'-O-[?-D-Mannopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085619 4',5,7,8-Tetrahydroxyflavone; 7-O-[?-D-Allopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085620 4',5,7,8-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O16 610.153384 NA MeJP NA NA +MJ085621 6,8-Diglucopyranosyl-3',4',5,7-tetrahydroxyisoflavone C27H30O16 610.153384 NA MeJP NA NA +MJ085622 8-Glucosyl-3,3',4',5,7-pentahydroxyflavone; 2''-O-?-L-Rhamnopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085623 Astragalin; 2''-O-?-D-Galactopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085624 Astragalin; 4''-O-?-D-Glucopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085625 Astragalin; 4'-O-?-D-Glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085626 Astragalin; 5-O-?-D-Glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085627 Astragalin; 7-O-?-D-Galactopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085628 Astragalin; 7-O-?-D-Glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085629 Astragalin; O''-?-D-Galactopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085630 Hyperin; 2''-O-?-L-Rhamnopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085631 Hyperin; 6''-O-?-L-Rhamnopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085632 Hyperin; 7-O-?-L-Rhamnopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085633 Isoorientin; 2''-O-?-D-Glucopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085634 Isoorientin; 2''-O-?-D-Mannopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085635 Isoorientin; 3'-O-?-D-Glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085636 Isoorientin; 4'-O-?-D-Glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085637 Isoorientin; 6''-O-?-D-Glucopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085638 Isoorientin; 7-O-?-D-Galactopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085639 Isoorientin; 7-O-?-D-Glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085640 Isoquercitrin; 4''-O-?-L-Rhamnopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085641 Isoquercitrin; 6''-O-?-L-Rhamnofuranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085642 Isoquercitrin; 6''-O-?-L-Rhamnopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085643 Isoquercitrin; 7-O-?-L-Rhamnofuranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085644 Isoquercitrin; 7-O-?-L-Rhamnofuranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085645 Isoquercitrin; 7-O-?-L-Rhamnopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085646 Isoquercitrin; O''-Rhamnosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085647 Lucenin 2 C27H30O16 610.153384 NA MeJP NA NA +MJ085648 Orientin; 2''-O-?-D-Glucopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085649 Orientin; 3'-O-?-D-Glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085650 Orientin; 4'-O-?-D-Glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085651 Orientin; 7-O-?-D-Glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085652 Quercimeritrin; 3-O-?-L-Rhamnopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085653 Quercimeritrin; O''-Rhamnosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085654 Quercitrin; 2''-O-?-D-Galactopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085655 Quercitrin; 2''-O-?-D-Glucopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085656 Quercitrin; 3'-O-?-D-Glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085657 Quercitrin; 4''-O-?-D-Galactopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085658 Quercitrin; 4''-O-?-D-Glucopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085659 Rheinoside A C27H30O16 610.153384 NA MeJP NA NA +MJ085660 Rutin C27H30O16 610.153384 NA MeJP NA NA +MJ085661 Trifolin; 2''-O-?-D-Glucopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085662 Trifolin; 4'-O-?-D-Glucopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085663 Trifolin; 5-O-?-D-Galactopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085664 Trifolin; 6''-O-?-D-Glucopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085665 Trifolin; 7-O-?-D-Galactopyranoside C27H30O16 610.153384 NA MeJP NA NA +MJ085666 Trifolin; O''-?-D-Galactopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085667 Vincetoxicoside B; O''-?-D-Glucopyranosyl C27H30O16 610.153384 NA MeJP NA NA +MJ085668 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H31O16(+) 610.153384 NA MeJP NA NA +MJ085669 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C27H31O16(+) 610.153384 NA MeJP NA NA +MJ085670 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H31O16(+) 610.153384 NA MeJP NA NA +MJ085671 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-?-L-Rhamnopyranoside, 5-O-?-D-glucopyranoside C27H31O16(+) 610.153384 NA MeJP NA NA +MJ085672 3,3',4',5,6,7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H31O16(+) 610.153384 NA MeJP NA NA +MJ085673 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C27H31O16(+) 610.153384 NA MeJP NA NA +MJ085674 3,3',4',5,7-Pentahydroxyflavylium(1+); 3,3'-Di-O-?-D-glucopyranoside C27H31O16(+) 610.153384 NA MeJP NA NA +MJ085675 3,3',4',5,7-Pentahydroxyflavylium(1+); 3,4'-Di-O-?-D-glucopyranoside C27H31O16(+) 610.153384 NA MeJP NA NA +MJ085676 3,3',4',5,7-Pentahydroxyflavylium(1+); 3,5-Di-O-?-D-glucofuranoside C27H31O16(+) 610.153384 NA MeJP NA NA +MJ085677 3,3',4',5,7-Pentahydroxyflavylium(1+); 3,5-Di-O-?-D-glucopyranoside C27H31O16(+) 610.153384 NA MeJP NA NA +MJ085678 3,3',4',5,7-Pentahydroxyflavylium(1+); 3,7-Di-O-?-D-glucopyranoside C27H31O16(+) 610.153384 NA MeJP NA NA +MJ085679 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Glucofuranoside, 5-O-?-D-glucopyranoside C27H31O16(+) 610.153384 NA MeJP NA NA +MJ085680 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-Galactoside, 5-O-?-D-glucopyranoside C27H31O16(+) 610.153384 NA MeJP NA NA +MetaCyc03968 quercetin 3-O-[β-L-rhamnosyl-(1->6)-β-D-glucoside] [hydroxyethylrutoside;quercetin 3-O-rutinoside;rutin;] C27H30O16 610.153385 153-18-4 metacyc NA NA +MetaCyc03969 quercetin-3-O-glucoside-7-O-rhamnoside [] C27H30O16 610.153385 NA metacyc NA NA +C05625 Rutin C27H30O16 610.1534 NA KEGG NA NA +C10102 Lucenin-2 C27H30O16 610.1534 NA KEGG NA NA +C12634 Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside C27H30O16 610.1534 NA KEGG NA NA +C16490 Kaempferol 3-O-beta-D-glucosylgalactoside C27H30O16 610.1534 NA KEGG NA NA +C16491 Isovitexin 2''-O-arabinoside C27H30O16 610.1534 NA KEGG NA NA +C17563 Multinoside A C27H30O16 610.1534 NA KEGG NA NA +PJ008682 GSCDDD C20H30N6O14S 610.1541 NA PeJP NA NA +PJ008683 GPCCCE C21H34N6O9S3 610.155 NA PeJP NA NA +FL1C3CGS0024 Okanin 4-methyl ether 4'-O-(6''-O-p-coumaroylglucoside);3,4,2',3',4'-Pentahydroxy-4-methoxychalcone 4'-O-(6''-O-p-coumaroylglucoside) C31H30O13 610.16864 142628-32-8 knapsack NA NA +FL2FEAGS0003 4'-O-Methylcarthamidin 7-(2-p-coumaroylglucoside);5,6,7-Trihydroxy-4'-methoxyflavanone 7-(2-p-coumaroylglucoside) C31H30O13 610.16864 292156-63-9 knapsack NA NA +MJ085681 2',3,3',4,4'-Pentahydroxychalcone, 4'-Me ether, 4-O-[4-hydroxycinnamoyl-(?6)-?-D-glucopyranoside] C31H30O13 610.168641 NA MeJP NA NA +MJ085682 Haedoxan I C31H30O13 610.168641 NA MeJP NA NA +PJ008684 PCCCW C25H34N6O6S3 610.1702 NA PeJP NA NA +PJ008685 CNDEM C21H34N6O11S2 610.1727 NA PeJP NA NA +MJ085683 3,6-Dihydroxyandrost-9(11)-en-17-one, 6-O-[4-O-Sulfo-6-deoxy-?-D-glucopyranoside], 3-sulfate C25H38O13S2 610.175382 NA MeJP NA NA +MJ085684 Santarubin B; 3'-Me ether C35H30O10 610.183897 NA MeJP NA NA +MetaCyc03970 glutathione amide disulfide [GASSGA;] C20H34N8O10S2 610.183931 NA metacyc NA NA +PJ008686 CCDDR C20H34N8O10S2 610.184 NA PeJP NA NA +PJ008687 GCDMW C25H34N6O8S2 610.188 NA PeJP NA NA +HMDB03265 Hesperidin C28H34O15 610.189758 NA HMDB2010 NA NA +HMDB03265 Hesperidin C28H34O15 610.18976 http://www.hmdb.ca/metabolites/HMDB03265 HMDB NA NA +HMDB03265 Hesperidin C28H34O15 610.18976 HMDB03265 PFEM_hmdb_metabocards_official NA NA +MJ085685 2',4,4',6'-Tetrahydroxychalcone; 2'-Me ether, 4,4'-di-O-?-D-glucopyranoside C28H34O15 610.18977 NA MeJP NA NA +MJ085686 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?2)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C28H34O15 610.18977 NA MeJP NA NA +MJ085687 3',4',5,7-Tetrahydroxy-5'-methylflavanone, 3'-O-[?-D-Galactopyranosyl-(1?4)-?-L-rhamnopyranoside] C28H34O15 610.18977 NA MeJP NA NA +MJ085688 3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H34O15 610.18977 NA MeJP NA NA +MJ085689 3',4',5,7-Tetrahydroxyflavanone, 3',7-Di-Me ether, 4'-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C28H34O15 610.18977 NA MeJP NA NA +MJ085690 3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C28H34O15 610.18977 NA MeJP NA NA +MJ085691 3',5,7-Trihydroxy-4'-methoxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C28H34O15 610.18977 NA MeJP NA NA +MJ085692 3',5,7-Trihydroxy-4'-methoxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H34O15 610.18977 NA MeJP NA NA +MJ085693 3,3',5,7-Tetrahydroxyflavanone, 3'-Me ether, 7-O-neohesperidoside C28H34O15 610.18977 NA MeJP NA NA +MJ085694 4'-Hydroxyacetophenone; O-[4-Hydroxy-3,5-dimethoxybenzoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C28H34O15 610.18977 NA MeJP NA NA +MJ085695 5,7,9,10-Tetrahydroxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one; 5,7-Di-Me ether, 9-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H34O15 610.18977 NA MeJP NA NA +MJ085696 Calceolarioside C C28H34O15 610.18977 NA MeJP NA NA +MJ085697 Calceolarioside E C28H34O15 610.18977 NA MeJP NA NA +MJ085698 Conandroside C28H34O15 610.18977 NA MeJP NA NA +MJ085699 Isonuomioside A C28H34O15 610.18977 NA MeJP NA NA +MetaCyc03971 hesperidin [] C28H34O15 610.18977 NA metacyc NA NA +MetaCyc03972 neohesperidin [] C28H34O15 610.18977 NA metacyc NA NA +FL1CBAGS0003 4,2',4'-Trihydroxy-6'-methoxychalcone 4,4'-di-beta-glucoside C28H34O15 610.18977 162440-77-9 knapsack NA NA +FL1CBAGS0004 Helichrysetin 4,4'-di-O-alpha-glucoside;4,2',4'-Trihydroxy-6'-methoxychalcone 4,4'-di-O-alpha-glucoside C28H34O15 610.18977 203193-16-2 knapsack NA NA +FL2FACGM0002 Mesuein C28H34O15 610.18977 111128-08-6 knapsack NA NA +FL2FADGS0005 Clematin;Clematine;5,7,3'-Trihydroxy-4'-methoxyflavanone 7-beta-L-rhamnosyl-(1->6)-glucoside C28H34O15 610.18977 150172-22-8 knapsack NA NA +FL2FAEGS0001 Hesperidin C28H34O15 610.18977 520-26-3 knapsack NA NA +FL2FAEGS0002 Neohesperidin C28H34O15 610.18977 13241-33-3 knapsack NA NA +FL2FCDGS0002 (2S)-5,4'-Dihydroxy-7,3'-dimethoxyflavanone 4'-apiosyl-(1->2)-glucoside C28H34O15 610.18977 247580-66-1 knapsack NA NA +C09755 Hesperidin C28H34O15 610.1898 NA KEGG NA NA +C09806 Neohesperidin C28H34O15 610.1898 NA KEGG NA NA +PJ008688 GSSDDM C21H34N6O13S 610.1905 NA PeJP NA NA +PJ008689 ASPCCM C22H38N6O8S3 610.1913 NA PeJP NA NA +PJ008690 GPTCCM C22H38N6O8S3 610.1914 NA PeJP NA NA +C10644 Atalanine C34H30N2O9 610.1951 NA KEGG NA NA +MJ085700 Atalanine C34H30N2O9 610.19513 NA MeJP NA NA +PJ008691 SSSCNN C20H34N8O12S 610.2017 NA PeJP NA NA +PJ008692 SSCEW C25H34N6O10S 610.2057 NA PeJP NA NA +MetaCyc03973 divinyl protochlorophyllide a [divinylprotochlorophyllide;divinyl protochlrophyllide a;] C35H30N4O5MG1 610.206662 NA metacyc NA NA +C11831 Divinylprotochlorophyllide C35H30MgN4O5 610.2067 NA KEGG NA NA +PJ008693 SSSSDE C21H34N6O15 610.2082 NA PeJP NA NA +PJ008694 SNEMM C22H38N6O10S2 610.2091 NA PeJP NA NA +PJ008695 CYYY C30H34N4O8S 610.2097 NA PeJP NA NA +PJ008696 CNNNF C24H34N8O9S 610.217 NA PeJP NA NA +MJ085701 4',7-Dihydroxyflavanone(3?3')-2',4,4',6'-tetrahydroxychalcone, Hexa-Me ether C36H34O9 610.220282 NA MeJP NA NA +PJ008697 SCDMR C21H38N8O9S2 610.2203 NA PeJP NA NA +PJ008698 GGGSCCK C21H38N8O9S2 610.2204 NA PeJP NA NA +PJ008699 GNEEY C25H34N6O12 610.2235 NA PeJP NA NA +PJ008700 GSMMW C26H38N6O7S2 610.2244 NA PeJP NA NA +MJ085702 4,5,7-Trihydroxy-6,8-dimethylflavan, 5,7-Di-O-?-D-glucopyranoside C29H38O14 610.226155 NA MeJP NA NA +MJ085703 Bruceanic acid A; 15-Deacyl, 15-(4-acetoxy-3,4-dimethyl-2-pentenoyl) C29H38O14 610.226155 NA MeJP NA NA +PJ008701 GSSTEM C22H38N6O12S 610.2269 NA PeJP NA NA +PJ008702 AQMMM C23H42N6O7S3 610.2277 NA PeJP NA NA +PJ008703 SCQHH C23H34N10O8S 610.2282 NA PeJP NA NA +MJ085704 Cannabisin B, 6-Me ether C35H34N2O8 610.231516 NA MeJP NA NA +MJ085705 Grossamide; 3'-O-De-Me C35H34N2O8 610.231516 NA MeJP NA NA +PJ008704 SNNNY C24H34N8O11 610.2347 NA PeJP NA NA +PJ008705 NEYW C29H34N6O9 610.2387 NA PeJP NA NA +PJ008706 GGEYW C29H34N6O9 610.2388 NA PeJP NA NA +PJ008707 ACMMR C22H42N8O6S3 610.239 NA PeJP NA NA +MJ085706 1,2,3,4,6,9-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,6-di-Ac C33H38O11 610.241412 NA MeJP NA NA +MJ085707 1,2,3,4,6,9-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 3,6-di-Ac C33H38O11 610.241412 NA MeJP NA NA +MJ085708 1,2,3,4,8,9-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,8-di-Ac C33H38O11 610.241412 NA MeJP NA NA +MJ085709 1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 1,6-di-Ac C33H38O11 610.241412 NA MeJP NA NA +MJ085710 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 2,9-Dibenzoyl, 6,14-di-Ac C33H38O11 610.241412 NA MeJP NA NA +MJ085711 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,8-Dibenzoyl, 9,14-di-Ac C33H38O11 610.241412 NA MeJP NA NA +MJ085712 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 6,14-di-Ac C33H38O11 610.241412 NA MeJP NA NA +MJ085713 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 6,14-di-Ac C33H38O11 610.241412 NA MeJP NA NA +MJ085714 Rocaglatic acid; Decarboxy, 3'-(3-O-methyl-?-L-rhamnopyranosyloxy) C33H38O11 610.241412 NA MeJP NA NA +PJ008708 SSTMW C26H38N6O9S 610.2421 NA PeJP NA NA +PJ008709 SSSTTE C22H38N6O14 610.2446 NA PeJP NA NA +PJ008710 SDKMM C23H42N6O9S2 610.2455 NA PeJP NA NA +PJ008711 GSSSHH C23H34N10O10 610.246 NA PeJP NA NA +PJ008712 GPDHW C28H34N8O8 610.25 NA PeJP NA NA +PJ008713 GCEFR C25H38N8O8S 610.2534 NA PeJP NA NA +C07709 Candesartan cilexetil C33H34N6O6 610.254 NA KEGG NA NA +PJ008714 GYWW C33H34N6O6 610.254 NA PeJP NA NA +PJ008715 SSMMR C22H42N8O8S2 610.2567 NA PeJP NA NA +PJ008716 QMFW C30H38N6O6S 610.2574 NA PeJP NA NA +PJ008717 GDKEY C26H38N6O11 610.2599 NA PeJP NA NA +PJ008718 GNHHF C27H34N10O7 610.2612 NA PeJP NA NA +MJ085715 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,4,7,9,10-Penta-Ac C30H42O13 610.262541 NA MeJP NA NA +MJ085716 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,4,7,9,13-Penta-Ac C30H42O13 610.262541 NA MeJP NA NA +MJ085717 2,20-Epoxy-11-taxene-1,4,5,7,9,10,13-heptol, 4,7,9,10,13-Penta-Ac C30H42O13 610.262541 NA MeJP NA NA +MJ085718 4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,5,7,10,13-Penta-Ac C30H42O13 610.262541 NA MeJP NA NA +MJ085719 4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,5,7,9,10-Penta-Ac C30H42O13 610.262541 NA MeJP NA NA +MJ085720 4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,5,7,9,13-Penta-Ac C30H42O13 610.262541 NA MeJP NA NA +MJ085721 4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,5,9,10,13-Penta-Ac C30H42O13 610.262541 NA MeJP NA NA +MJ085722 4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,7,9,10,13-Penta-Ac C30H42O13 610.262541 NA MeJP NA NA +MJ085723 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2,7,9,10,13-Penta-Ac C30H42O13 610.262541 NA MeJP NA NA +PJ008719 SSSSLM C23H42N6O11S 610.2632 NA PeJP NA NA +PJ008720 AKMMM C24H46N6O6S3 610.2641 NA PeJP NA NA +PJ008721 SCKHH C24H38N10O7S 610.2646 NA PeJP NA NA +MJ085724 Jhelumine C36H38N2O7 610.267901 NA MeJP NA NA +PJ008722 CFRW C29H38N8O5S 610.2686 NA PeJP NA NA +PJ008723 GSERY C25H38N8O10 610.2711 NA PeJP NA NA +PJ008724 DKYW C30H38N6O8 610.2751 NA PeJP NA NA +MJ085725 Detigloylswietenine; 3-Tigloyl, 6-Ac C34H42O10 610.277797 NA MeJP NA NA +MJ085726 Handelin C34H42O10 610.277797 NA MeJP NA NA +MJ085727 Humilinolide C C34H42O10 610.277797 NA MeJP NA NA +MJ085728 Ingol; 7-(Phenylacetyl), 3,8,12-tri-Ac C34H42O10 610.277797 NA MeJP NA NA +MJ085729 Swietenolide; 3-Tigloyl, 6-Ac C34H42O10 610.277797 NA MeJP NA NA +7846 NA YPFW~ 610.278 immunomodulating Inhouse_peptide NA peptide +PJ008725 GLQMY C27H42N6O8S 610.2785 NA PeJP NA NA +MJ085730 Manidipine C35H38N4O6 610.279134 NA MeJP NA NA +PJ008726 STTTTT C23H42N6O13 610.281 NA PeJP NA NA +PJ008727 TTKMM C24H46N6O8S2 610.2819 NA PeJP NA NA +PJ008728 SPDHR C24H38N10O9 610.2823 NA PeJP NA NA +PJ008729 GAAQQH C24H38N10O9 610.2824 NA PeJP NA NA +MJ085731 Segetalin H C29H38N8O7 610.286345 NA MeJP NA NA +PJ008730 SRYW C29H38N8O7 610.2864 NA PeJP NA NA +PJ008731 AAMRY C26H42N8O7S 610.2897 NA PeJP NA NA +PJ008732 GGPLMH C26H42N8O7S 610.2898 NA PeJP NA NA +HMDB05773 Endomorphin-1 C34H38N6O5 610.29034 http://www.hmdb.ca/metabolites/HMDB05773 HMDB NA NA +HMDB05773 Endomorphin-1 C34H38N6O5 610.29034 HMDB05773 PFEM_hmdb_metabocards_official NA NA +HMDB05773 Endomorphin-1 C34H38N6O5 610.290344 NA HMDB2010 NA NA +MJ085732 Blepharocalyxin C C38H42O7 610.293053 NA MeJP NA NA +PJ008733 GNQHR C23H38N12O8 610.2936 NA PeJP NA NA +PJ008734 KMFW C31H42N6O5S 610.2938 NA PeJP NA NA +PJ008735 ATKEY C27H42N6O10 610.2963 NA PeJP NA NA +MJ085733 15,16-Epoxy-8,13(16),14-labdatrien-19-oic acid; [?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl] ester C31H46O12 610.298926 NA MeJP NA NA +MJ085734 4,18:11,16:15,16-Triepoxy-1,2,3,6,19-clerodanepentol, 3-(2-Methylbutanoyl), 2,6,19-tri-Ac C31H46O12 610.298926 NA MeJP NA NA +MJ085735 Acarbathogenin; 3-O-L-Talomethyloside C31H46O12 610.298926 NA MeJP NA NA +MJ085736 Acarbathogenin; 3-O-?-L-Rhamnopyranoside C31H46O12 610.298926 NA MeJP NA NA +MJ085737 Ichangensin 17-?-D-glucopyranoside C31H46O12 610.298926 NA MeJP NA NA +PJ008736 APMHR C25H42N10O6S 610.301 NA PeJP NA NA +MJ085738 Cuspidaline C37H42N2O6 610.304287 NA MeJP NA NA +MJ085739 Dauricine; N'-De-Me C37H42N2O6 610.304287 NA MeJP NA NA +MJ085740 Dauricine; N-De-Me C37H42N2O6 610.304287 NA MeJP NA NA +MJ085741 Daurisoline C37H42N2O6 610.304287 NA MeJP NA NA +MJ085742 Espinine, 12-Me ether C37H42N2O6 610.304287 NA MeJP NA NA +MJ085743 Espinine, 6'-Me ether C37H42N2O6 610.304287 NA MeJP NA NA +MJ085744 Grisabine C37H42N2O6 610.304287 NA MeJP NA NA +MJ085745 Isodaurisoline C37H42N2O6 610.304287 NA MeJP NA NA +MJ085746 Neferine; O12'-De-Me C37H42N2O6 610.304287 NA MeJP NA NA +MJ085747 Neferine; O7-De-Me C37H42N2O6 610.304287 NA MeJP NA NA +MJ085748 Pisopowetine; N2'-De-Me C37H42N2O6 610.304287 NA MeJP NA NA +MJ085749 Pisopowiaridine C37H42N2O6 610.304287 NA MeJP NA NA +MJ085750 Popisonine C37H42N2O6 610.304287 NA MeJP NA NA +MJ085751 Thalibrine; 2'-N-De-Me C37H42N2O6 610.304287 NA MeJP NA NA +MJ085752 Tubocurarine(2+) C37H42N2O6 610.304287 NA MeJP NA NA +MJ085753 Pheganomycin C26H42N8O9 610.307474 NA MeJP NA NA +PJ008737 ATTRY C26H42N8O9 610.3075 NA PeJP NA NA +MJ085754 Cyclo(D-?-aspartyl-L-prolyl-D-valyl-L-leucyl-D-tryptophyl) C31H42N6O7 610.311497 NA MeJP NA NA +C11587 BQ 123 C31H42N6O7 610.3115 NA KEGG NA NA +PJ008738 GPKFY C31H42N6O7 610.3115 NA PeJP NA NA +MJ085755 12-Hydroxyvilasinin; 1-Tigloyl, 3,12-di-Ac C35H46O9 610.314183 NA MeJP NA NA +MJ085756 12-Hydroxyvilasinin; 7-Tigloyl, 1,3-di-Ac C35H46O9 610.314183 NA MeJP NA NA +MJ085757 Dregeana 4; 7,12-Dideacyl, 29-deoxy, 7-tigloyl, 12-Ac C35H46O9 610.314183 NA MeJP NA NA +PJ008739 GLKMY C28H46N6O7S 610.3149 NA PeJP NA NA +8101 peptide derived from bigeye tuna dark muscle (Thunnus obesus) LNLPTAVYMVT 610.31665 MH2+ Inhouse_peptide NA peptide +PJ008740 GLEHR C25H42N10O8 610.3187 NA PeJP NA NA +PJ008741 GVLHW C30H42N8O6 610.3228 NA PeJP NA NA +MJ085758 Ansatrienin A2 C34H46N2O8 610.325416 NA MeJP NA NA +MJ085759 Ansatrienin A3 C34H46N2O8 610.325416 NA MeJP NA NA +MJ085760 Ansatrienin B; N-Deacyl, N-tigloyl C34H46N2O8 610.325416 NA MeJP NA NA +PJ008742 PVKMH C27H46N8O6S 610.3261 NA PeJP NA NA +PJ008743 GNKHR C24H42N12O7 610.33 NA PeJP NA NA +PJ008744 STLKY C28H46N6O9 610.3326 NA PeJP NA NA +PJ008745 GPPVLE C28H46N6O9 610.3327 NA PeJP NA NA +PJ008746 LHRW C29H42N10O5 610.334 NA PeJP NA NA +MJ085761 15,16-Epoxy-8,13(16),14-labdatrien-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C32H50O11 610.335312 NA MeJP NA NA +MJ085762 8(14),15-Isopimaradiene-3,7-diol, 7-Ketone, 3-O-[?-L-rhamnopyranosyl(1?2)-?-D-glucopyranoside] C32H50O11 610.335312 NA MeJP NA NA +MJ085763 Tedanolide C32H50O11 610.335312 NA MeJP NA NA +PJ008747 PPLER C27H46N8O8 610.3439 NA PeJP NA NA +PJ008748 PPVLW C32H46N6O6 610.3479 NA PeJP NA NA +MJ085764 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 2-Cinnamoyl C36H50O8 610.350568 NA MeJP NA NA +MJ085765 34-Ethylhuratoxin; 26,27-Didehydro C36H50O8 610.350568 NA MeJP NA NA +MJ085766 4'-Hydroxy-4,4'-diaponeurosporen-4-oic acid; O-?-D-Glucopyranoside C36H50O8 610.350568 NA MeJP NA NA +MJ085767 Antibiotic S 541; Antibiotic S 541A, 5-Ketone C36H50O8 610.350568 NA MeJP NA NA +PJ008749 SVLHR C26H46N10O7 610.3551 NA PeJP NA NA +MJ085768 Acobretine A; O8-De-Ac, O8-Et, N-Ac C35H50N2O7 610.361801 NA MeJP NA NA +MJ085769 Trienomycin; Trienomycin E C35H50N2O7 610.361801 NA MeJP NA NA +PJ008750 APPTLL C29H50N6O8 610.369 NA PeJP NA NA +MJ085770 3,14,22,25-Tetrahydroxycholest-7-en-6-one, 25-?-D-Glucopyranoside C33H54O10 610.371697 NA MeJP NA NA +MJ085771 3,14,22,25-Tetrahydroxycholest-7-en-6-one, 3-?-D-Glucopyranoside C33H54O10 610.371697 NA MeJP NA NA +MJ085772 3,14,22,25-Tetrahydroxycholest-7-en-6-one, 3-O-?-D-Glucopyranoside C33H54O10 610.371697 NA MeJP NA NA +MJ085773 Chainin C33H54O10 610.371697 NA MeJP NA NA +MJ085774 Pregn-6-ene-3,17,20-triol, 3-O-?-D-Fucopyranoside, 20-(2,6-dideoxy-?-D-arabino-hexopyranoside) C33H54O10 610.371697 NA MeJP NA NA +MJ085775 Spirostane-1,2,3-triol, 1-O-?-D-Glucopyranoside C33H54O10 610.371697 NA MeJP NA NA +MJ085776 Spirostane-1,3,25-triol, 3-O-?-D-Glucopyranoside C33H54O10 610.371697 NA MeJP NA NA +PJ008751 TLLKH C28H50N8O7 610.3803 NA PeJP NA NA +PJ008752 AKKKH C27H50N10O6 610.3915 NA PeJP NA NA +PJ008753 GPVLLL C30H54N6O7 610.4054 NA PeJP NA NA +MJ085777 3,22,23-Trihydroxyergostan-6-one, 3-O-?-D-Glucopyranoside C34H58O9 610.408083 NA MeJP NA NA +MJ085778 Stigmast-5-en-3-ol, O-[2-(4-Chlorophenoxy)-2-methylpropanoyl] C39H59ClO3 610.415273 NA MeJP NA NA +PJ008754 PLLLR C29H54N8O6 610.4167 NA PeJP NA NA +MJ085779 14-Nor-7-protoilludene-5,6-diol, 5-(2,4-Dihydroxy-6-methylbenzoyl), 6-hexadecanoyl C38H58O6 610.423339 NA MeJP NA NA +MJ085780 Rhodobacterioxanthin C42H58O3 610.438595 NA MeJP NA NA +C15884 2-Ketospirilloxanthin C42H58O3 610.4386 NA KEGG NA NA +MJ085781 Anmontanin B C35H62O8 610.444468 NA MeJP NA NA +MJ085782 Anmontanin C C35H62O8 610.444468 NA MeJP NA NA +MJ085783 Annoglaxin C35H62O8 610.444468 NA MeJP NA NA +MJ085784 Annonacin; 19,20-Diepimer, 8-hydroxy, 10-ketone C35H62O8 610.444468 NA MeJP NA NA +MJ085785 Annonacin; 8-Hydroxy, 10-ketone C35H62O8 610.444468 NA MeJP NA NA +MJ085786 Montanacin B C35H62O8 610.444468 NA MeJP NA NA +MJ085787 Parvifloracin C35H62O8 610.444468 NA MeJP NA NA +MJ085788 Parviflorin; 8-Hydroxy C35H62O8 610.444468 NA MeJP NA NA +MJ085789 Trilobalicin C35H62O8 610.444468 NA MeJP NA NA +HMDB07063 DG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C39H62O5 610.459717 NA HMDB2010 NA NA +HMDB07280 DG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C39H62O5 610.459717 NA HMDB2010 NA NA +HMDB07309 DG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C39H62O5 610.459717 NA HMDB2010 NA NA +HMDB07336 DG(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/0:0) C39H62O5 610.459717 NA HMDB2010 NA NA +HMDB07337 DG(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/0:0) C39H62O5 610.459717 NA HMDB2010 NA NA +HMDB07763 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/0:0) C39H62O5 610.459717 NA HMDB2010 NA NA +MJ085790 Moldenin C40H66O4 610.49611 NA MeJP NA NA +MJ085791 Minalemines; Minalemine B C30H62N10O3 610.500635 NA MeJP NA NA +MJ085792 Glycerol trialkanoates (diacid, symmetrical); Glycerol 1,3-didodecanoate 2-decanoate C37H70O6 610.517239 NA MeJP NA NA +MJ085793 Glycerol trialkanoates (triacid); Glycerol 1-dodecanoate 2-tetradecanoate 3-octanoate C37H70O6 610.517239 NA MeJP NA NA +HMDB07078 DG(15:0/20:0/0:0) C38H74O5 610.55365 NA HMDB2010 NA NA +HMDB07358 DG(20:0/15:0/0:0) C38H74O5 610.55365 NA HMDB2010 NA NA +MJ085794 Ergost-5-en-3-ol, Tetradecanoyl C42H74O2 610.568881 NA MeJP NA NA +FL7AACGL0031 Cyanidin 3-(6''-caffeylglucoside) C30H27O14 611.14008 28983-74-6 knapsack NA NA +FL7AAGGA0010 Delphinidin 3-O-beta-D-(6-O-(E)-p-coumaryl)galactopyranoside C30H27O14 611.14008 339080-03-4 knapsack NA NA +FL7AAGGL0017 Delphinidin 3-(6''-p-coumarylglucoside) C30H27O14 611.14008 136031-08-8<BR>51939-70-9 knapsack NA NA +C16369 Cyanidin 3-(6-p-caffeoyl)glucoside C30H27O14 611.1401 NA KEGG NA NA +C16370 Delphinidin 3-(6-p-coumaroyl)glucoside C30H27O14 611.1401 NA KEGG NA NA +PJ008755 CDDEM C21H33N5O12S2 611.1567 NA PeJP NA NA +C08639 Cyanin C27H31O16 611.1612 NA KEGG NA NA +C16306 Cyanidin 3-O-sophoroside C27H31O16 611.1612 NA KEGG NA NA +C16315 Tulipanin C27H31O16 611.1612 NA KEGG NA NA +FL7AACGA0004 Cyanidin 3-galactoside-5-glucoside C27H31O16 611.1612 28454-88-8 knapsack NA NA +FL7AACGA0014 Cyanidin 3-(2-glucosylgalactoside) C27H31O16 611.1612 220726-09-0 knapsack NA NA +FL7AACGL0004 Cyanin;Cyanidin 3,5-diglucoside C27H31O16 611.1612 2611-67-8 knapsack NA NA +FL7AACGL0006 Cyanidin 3-sophoroside C27H31O16 611.1612 38820-68-7<BR>18376-31-3 knapsack NA NA +FL7AACGL0007 Cyanidin 3-laminaribioside C27H31O16 611.1612 214424-04-1 knapsack NA NA +FL7AACGL0008 Cyanidin 3-gentiobioside C27H31O16 611.1612 4453-78-5 knapsack NA NA +FL7AACGL0011 Seranin C27H31O16 611.1612 64963-53-7 knapsack NA NA +FL7AACGL0013 Cyanidin 3,3'-diglucoside C27H31O16 611.1612 64963-54-8 knapsack NA NA +FL7AACGL0014 Cyanidin 3,4'-diglucoside C27H31O16 611.1612 27459-78-5 knapsack NA NA +FL7AAGGA0003 Vincanin B;Delphinidin 3-(6-rhamnosylgalactoside) C27H31O16 611.1612 68735-95-5 knapsack NA NA +FL7AAGGL0005 Delhpinidin 3-neohesperidoside;Delhpinidin 3-(2rhamnosylglucoside) C27H31O16 611.1612 120727-37-9 knapsack NA NA +FL7AAGGL0006 Tulipanin;Delphinidin 3-rutinoside;Delphinidin 3-(6-rhamnosylglucosuide) C27H31O16 611.1612 15674-58-5 knapsack NA NA +FL7AAGGS0005 Delphinidin 3-rhamnoside-5-glucoside C27H31O16 611.1612 779266-92-1<BR>53925-31-8 knapsack NA NA +FL7AAHGL0016 Petunidin 3-sambubioside;Petunidin 3-O-beta-D-sambubioside;Petunidin 3-(2-xylosylglucoside) C27H31O16 611.1612 260256-24-4 knapsack NA NA +FL7AECGL0002 6-Hydroxycyanidin 3-rutinoside C27H31O16 611.1612 99124-25-1 knapsack NA NA +MetaCyc03974 delphinidin 3-rutinoside [delphinidin 3-rhamnoglucoside;] C27H31O16 611.16121 NA metacyc NA NA +MetaCyc03975 cyanidin-3,5-diglucoside [] C27H31O16 611.16121 NA metacyc NA NA +PJ008756 CCCHF C24H33N7O6S3 611.1655 NA PeJP NA NA +PJ008757 GSCCNE C20H33N7O11S2 611.168 NA PeJP NA NA +PJ008758 SCCNW C24H33N7O8S2 611.1832 NA PeJP NA NA +PJ008759 SSSCND C20H33N7O13S 611.1857 NA PeJP NA NA +PJ008760 CNNMM C21H37N7O8S3 611.1866 NA PeJP NA NA +MJ085795 Cyclothialidines; Cyclothialidine B C25H33N5O11S 611.189727 NA MeJP NA NA +MJ085796 Cyclothialidines; Cyclothialidine E C25H33N5O11S 611.189727 NA MeJP NA NA +PJ008761 PCDDY C25H33N5O11S 611.1898 NA PeJP NA NA +PJ008762 SDEMM C22H37N5O11S2 611.1931 NA PeJP NA NA +PJ008763 PCMMM C23H41N5O6S4 611.194 NA PeJP NA NA +PJ008764 CCCQR C20H37N9O7S3 611.1978 NA PeJP NA NA +PJ008765 CNNDF C24H33N7O10S 611.201 NA PeJP NA NA +PJ008766 GSSCQM C21H37N7O10S2 611.2044 NA PeJP NA NA +PJ008767 GDEEY C25H33N5O13 611.2075 NA PeJP NA NA +PJ008768 PCDMF C26H37N5O8S2 611.2084 NA PeJP NA NA +PJ008769 AEMMM C23H41N5O8S3 611.2117 NA PeJP NA NA +PJ008770 CLDMM C23H41N5O8S3 611.2118 NA PeJP NA NA +PJ008771 SCEHH C23H33N9O9S 611.2122 NA PeJP NA NA +PJ008772 GSSCCR C20H37N9O9S2 611.2156 NA PeJP NA NA +PJ008773 SNNDY C24H33N7O12 611.2187 NA PeJP NA NA +PJ008774 GGGGSDY C24H33N7O12 611.2188 NA PeJP NA NA +MJ085797 Lycorine, O1,O2-Di-O-?-D-glucopyranoside C28H37NO14 611.221404 NA MeJP NA NA +PJ008775 SSSSNM C21H37N7O12S 611.2221 NA PeJP NA NA +PJ008776 DEYW C29H33N5O10 611.2228 NA PeJP NA NA +PJ008777 CCQKM C22H41N7O7S3 611.223 NA PeJP NA NA +PJ008778 SPDMY C26H37N5O10S 611.2261 NA PeJP NA NA +PJ008779 TTEMM C23H41N5O10S2 611.2295 NA PeJP NA NA +PJ008780 GMMHH C24H37N9O6S2 611.2309 NA PeJP NA NA +PJ008781 CCCKR C21H41N9O6S3 611.2342 NA PeJP NA NA +MJ085798 1,2,3,4,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 2-benzoyl, 1,14-di-Ac C32H37NO11 611.236661 NA MeJP NA NA +MJ085799 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1-benzoyl, 8,14-di-Ac C32H37NO11 611.236661 NA MeJP NA NA +PJ008782 GNQMY C25H37N7O9S 611.2374 NA PeJP NA NA +PJ008783 GSSSSST C21H37N7O14 611.2399 NA PeJP NA NA +PJ008784 GSSCKM C22H41N7O9S2 611.2407 NA PeJP NA NA +PJ008785 NNNNH C22H33N11O10 611.2412 NA PeJP NA NA +PJ008786 EMFW C30H37N5O7S 611.2414 NA PeJP NA NA +PJ008787 ATEEY C26H37N5O12 611.2439 NA PeJP NA NA +PJ008788 APMMY C27H41N5O7S2 611.2448 NA PeJP NA NA +PJ008789 GDHHF C27H33N9O8 611.2452 NA PeJP NA NA +PJ008790 SLMMM C24H45N5O7S3 611.2481 NA PeJP NA NA +PJ008791 GCNRY C24H37N9O8S 611.2486 NA PeJP NA NA +PJ008792 SSQQY C25H37N7O11 611.2551 NA PeJP NA NA +PJ008793 PPMMH C26H41N7O6S2 611.256 NA PeJP NA NA +PJ008794 SSSTCK C22H41N7O11S 611.2585 NA PeJP NA NA +PJ008795 APDFY C30H37N5O9 611.2591 NA PeJP NA NA +PJ008796 GPEFY C30H37N5O9 611.2592 NA PeJP NA NA +PJ008797 CCKKM C23H45N7O6S3 611.2594 NA PeJP NA NA +PJ008798 GLEMY C27H41N5O9S 611.2625 NA PeJP NA NA +PJ008799 AQQEH C24H37N9O10 611.2664 NA PeJP NA NA +PJ008800 GNQFF C29H37N7O8 611.2704 NA PeJP NA NA +MJ085800 Trideacetylpyripyropene A; 3,19-Dipropanoyl, 7-Ac C33H41NO10 611.273046 NA MeJP NA NA +MJ085801 Trideacetylpyripyropene A; 3,7-Dipropanoyl, 19-Ac C33H41NO10 611.273046 NA MeJP NA NA +MJ085802 Trideacetylpyripyropene A; 7,19-Dipropanoyl, 3-Ac C33H41NO10 611.273046 NA MeJP NA NA +PJ008801 GNKMY C26H41N7O8S 611.2737 NA PeJP NA NA +PJ008802 GGGKMY C26H41N7O8S 611.2738 NA PeJP NA NA +PJ008803 PFYW C34H37N5O6 611.2744 NA PeJP NA NA +PJ008804 GNEHR C23H37N11O9 611.2776 NA PeJP NA NA +PJ008805 LMYW C31H41N5O6S 611.2778 NA PeJP NA NA +PJ008806 STLEY C27H41N5O11 611.2803 NA PeJP NA NA +PJ008807 ALMMF C28H45N5O6S2 611.2811 NA PeJP NA NA +PJ008808 VCLMF C28H45N5O6S2 611.2812 NA PeJP NA NA +PJ008809 AAQHW C28H37N9O7 611.2816 NA PeJP NA NA +PJ008810 PCQKH C25H41N9O7S 611.285 NA PeJP NA NA +PJ008811 SSQKY C26H41N7O10 611.2915 NA PeJP NA NA +PJ008812 NHRW C27H37N11O6 611.2929 NA PeJP NA NA +8145 peptide derived from jumbo squid skin gelatin (Dosidicus gigas) NGPLQAGQPGER 611.29495 MH2+ Inhouse_peptide NA peptide +PJ008813 GPLYY C31H41N5O8 611.2955 NA PeJP NA NA +PJ008814 SVLMY C28H45N5O8S 611.2989 NA PeJP NA NA +MJ085803 Lercanidipine C36H41N3O6 611.299536 NA MeJP NA NA +PJ008815 PPNER C25H41N9O9 611.3027 NA PeJP NA NA +PJ008816 GGPPER C25H41N9O9 611.3028 NA PeJP NA NA +MJ085804 SP-Chymostatin B; 2-Epimer, 4''-hydroxy C30H41N7O7 611.306746 NA MeJP NA NA +MJ085805 SP-Chymostatin B; 4''-Hydroxy C30H41N7O7 611.306746 NA MeJP NA NA +PJ008817 PPVNW C30H41N7O7 611.3068 NA PeJP NA NA +MJ085806 Rhizoxin; O-De-Me C34H45NO9 611.309432 NA MeJP NA NA +MJ085807 Salannolactam 21 C34H45NO9 611.309432 NA MeJP NA NA +PJ008818 ACKKY C27H45N7O7S 611.3101 NA PeJP NA NA +MJ085808 Ergocristine; 9,10-Dihydro C35H41N5O5 611.310769 NA MeJP NA NA +PJ008819 LFFW C35H41N5O5 611.3108 NA PeJP NA NA +PJ008820 GDKHR C24H41N11O8 611.314 NA PeJP NA NA +PJ008821 GPPRW C29H41N9O6 611.318 NA PeJP NA NA +PJ008822 PCKKH C26H45N9O6S 611.3214 NA PeJP NA NA +PJ008823 GSHRR C23H41N13O7 611.3252 NA PeJP NA NA +PJ008824 SSKKY C27H45N7O9 611.3279 NA PeJP NA NA +MJ085809 Melanostatin II C28H41N11O5 611.329213 NA MeJP NA NA +MJ085810 Platenomycin A1; Demycarosyl, 9-ketone C31H49NO11 611.330561 NA MeJP NA NA +PJ008825 GLLFY C32H45N5O7 611.3319 NA PeJP NA NA +MJ085811 C-Curarine C40H44N4O2(+) 611.338601 NA MeJP NA NA +PJ008826 PPDKR C26H45N9O8 611.3391 NA PeJP NA NA +PJ008827 PVLHF C31H45N7O6 611.3432 NA PeJP NA NA +MJ085812 Talatizamine; 14-O-(3,4-Dimethoxycinnamoyl) C35H49NO8 611.345817 NA MeJP NA NA +MJ085813 Taxine B; 13?-Alcohol, 1-deoxy, 13-Ac C35H49NO8 611.345817 NA MeJP NA NA +PJ008828 VLLMH C28H49N7O6S 611.3465 NA PeJP NA NA +PJ008829 SPPRR C25H45N11O7 611.3504 NA PeJP NA NA +MJ085814 Destruxin F; 5''-Hydroxy C29H49N5O9 611.353028 NA MeJP NA NA +MJ085815 Yanucamide B C34H49N3O7 611.35705 NA MeJP NA NA +3419 NA IRPVQ 611.363 ACE inhibitor Inhouse_peptide NA peptide +PJ008830 GPPTLK C28H49N7O8 611.3643 NA PeJP NA NA +MJ085816 Zizyphine A C33H49N5O6 611.368284 NA MeJP NA NA +C10015 Zizyphine A C33H49N5O6 611.3683 NA KEGG NA NA +MJ085817 ACE inhibitor peptide C 112 C27H49N9O7 611.375494 NA MeJP NA NA +PJ008831 PVLQR C27H49N9O7 611.3755 NA PeJP NA NA +MJ085818 Enniatin B; N,N'-Di-de-Me C31H53N3O9 611.37818 NA MeJP NA NA +MJ085819 Amphilactam B C36H53NO7 611.382203 NA MeJP NA NA +PJ008832 APLRR C26H49N11O6 611.3868 NA PeJP NA NA +PJ008833 AAPLLK C29H53N7O7 611.4007 NA PeJP NA NA +PJ008834 PVLKR C28H53N9O6 611.4119 NA PeJP NA NA +EUR743 Lyso PC 20:0 [M-H+acetate]- C28H58NO7P 611.416192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR743 Lyso PC 20:0 [M-H+acetate]- C28H58NO7P 611.416192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR743 Lyso PC 20:0 [M-H+acetate]- C28H58NO7P 611.416192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR743 Lyso PC 20:0 [M-H+acetate]- C28H58NO7P 611.416192 masses lipides attendues Inhousejuil11 NA NA +MJ085820 2-Amino-5-heptadecene-1,3,4-triol, N-(2-Hydroxyeicosanoyl) C37H73NO5 611.548874 NA MeJP NA NA +MJ085821 Emodinbianthrone; 1,3,3'-Trichloro C30H19Cl3O8 612.01455 NA MeJP NA NA +MJ085822 Cefpiramide C25H24N8O7S2 612.120936 NA MeJP NA NA +MJ085823 Meralluride C16H22HgN6O7 612.125622 NA MeJP NA NA +MJ085824 Mesuabixanthone A C33H24O12 612.126776 NA MeJP NA NA +MJ085825 Mesuferrol A; 5-Me ether C33H24O12 612.126776 NA MeJP NA NA +MJ085826 Pentagrametin C33H24O12 612.126776 NA MeJP NA NA +FL5FAGGL0002 Myricetin 3-sambubioside C26H28O17 612.13264 142449-93-2 knapsack NA NA +MJ085827 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[Xylosyl-(1??)-?-D-glucopyranoside] C26H28O17 612.132649 NA MeJP NA NA +MJ085828 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[Xylosyl-(1??)-galactopyranoside] C26H28O17 612.132649 NA MeJP NA NA +PJ008835 GCCCNN C19H32N8O9S3 612.1455 NA PeJP NA NA +EUR299 Glutathione oxidized F1 C20H32N6O12S1 612.150575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR299 Gluthation oxyde F1 NA 612.150575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR299 Glutathione oxidized F1 C20H32N6O12S1 612.150575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR299 Gluthation oxyde F1 NA 612.150575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR299 Glutathione oxidized F1 C20H32N6O12S1 612.150575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR299 Gluthation oxyde F1 NA 612.150575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR299 Glutathione oxidized F1 C20H32N6O12S1 612.150575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR299 Glutathione oxidized F1 C20H32N6O12S1 612.150575 standards wishlist analysés sur QTOF HMDB NA NA +EUR299 Glutathione oxidized F1 C20H32N6O12S1 612.150575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR299 Gluthation oxyde F1 NA 612.150575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR299 Glutathione oxidized F1 C20H32N6O12S1 612.150575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR299 Glutathione oxidized F1 C20H32N6O12S1 612.150575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ085829 Oxidized glutathione C20H32N6O12S2 612.151961 NA MeJP NA NA +MetaCyc03976 glutathione disulfide [glutathione oxidized;glutathione ox;GSSG;glutathione;GSH;ox. glutathione;oxidized glutathione;] C20H32N6O12S2 612.151962 27025-41-8 metacyc NA NA +HMDB03337 Oxidized glutathione C20H32N6O12S2 612.151978 NA HMDB2010 NA NA +HMDB03337 Oxidized glutathione C20H32N6O12S2 612.15198 http://www.hmdb.ca/metabolites/HMDB03337 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03337 Oxidized glutathione C20H32N6O12S2 612.15198 http://www.hmdb.ca/metabolites/HMDB03337 HMDB NA NA +HMDB03337 Oxidized glutathione C20H32N6O12S2 612.15198 NA ;SYN:a-keto-d-Guanidinovaleric acid; d-Guanidino-a-oxovaleric acid; d-Guanido-a-ketovaleric acid; 2-Oxo-5-guanidinovaleric acid; 5-Guanidino-2-oxovaleric acid; alpha-keto-delta-Guanidinovaleric acid; delta-Guanidino-alpha-oxovaleric acid; delta-Guanido-alpha-ketovaleric acid; 5-(diaminomethylideneamino)-2-oxopentanoic acid; 5-(diaminomethylideneamino)-2-oxopentanoateH2Blood; Cerebrospinal Fluid Inhouse_peptide NA peptide +HMDB03337 Oxidized glutathione C20H32N6O12S2 612.15198 http://www.hmdb.ca/metabolites/HMDB03337 PFEM_hmdb_metabocards_blood NA blood +HMDB03337 Oxidized glutathione C20H32N6O12S2 612.15198 HMDB03337 PFEM_hmdb_metabocards_official NA NA +EUR075 Oxidized glutathione C20H32N6O12S2 612.152 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR075 Oxidized glutathione C20H32N6O12S2 612.152 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR075 Oxidized glutathione C20H32N6O12S2 612.152 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR075 Oxidized glutathione C20H32N6O12S2 612.152 Wishlist Inhousejuil11 NA NA +C00127 Glutathione disulfide C20H32N6O12S2 612.152 NA KEGG NA NA +PJ008836 GSCCDE C20H32N6O12S2 612.152 NA PeJP NA NA +PJ008837 GPCCCM C21H36N6O7S4 612.1529 NA PeJP NA NA +MJ085830 Carbonarin A; 3''-Methoxy C34H28O11 612.163161 NA MeJP NA NA +PJ008838 SCCDW C24H32N6O9S2 612.1672 NA PeJP NA NA +FL1C3CGS0010 Okanin 3',4'-diglucoside C27H32O16 612.16903 120181-06-8 knapsack NA NA +FL1C3CGS0012 Okanin 4'-gentiobioside C27H32O16 612.16903 120181-05-7 knapsack NA NA +FL2FACGS0007 Eriodictyol 5,3'-di-O-glucoside C27H32O16 612.16903 33983-44-7 knapsack NA NA +FL2FEAGS0002 5,6,7,4'-Tetrahydroxyflavanone 6,7-diglucoside C27H32O16 612.16903 501434-65-7 knapsack NA NA +FL4D1CGS0003 Fustin 3,7-diglucoside C27H32O16 612.16903 - knapsack NA NA +FL4DACGS0023 Huangqioside E C27H32O16 612.16903 138822-69-2 knapsack NA NA +FL4DACGS0024 Taxifolin 3-glucosyl-(1->4)-rhamnoside C27H32O16 612.16903 81645-92-3 knapsack NA NA +FL4DACGS0026 Flavoplatycoside C27H32O16 612.16903 147714-60-1 knapsack NA NA +MJ085831 1,2,3,4,7-Pentahydroxyxanthone; 2,3,4-Tri-Me-ether, 1-O-[?-D-xylopranosyl-(1?6)-?-D-glucopyranoside] C27H32O16 612.169034 NA MeJP NA NA +MJ085832 1,2,5,6,8-Pentahydroxyxanthone; 2,6-Di-Me ether, 5-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C27H32O16 612.169034 NA MeJP NA NA +MJ085833 2',3',5,5',7-Pentahydroxyflavanone, 7-O-Rutinoside C27H32O16 612.169034 NA MeJP NA NA +MJ085834 2',3,3',4,4'-Pentahydroxychalcone, 3',4'-Di-O-?-D-glucopyranoside C27H32O16 612.169034 NA MeJP NA NA +MJ085835 2',3,3',4,4'-Pentahydroxychalcone, 4'-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O16 612.169034 NA MeJP NA NA +MJ085836 2',4'-Dihydroxyacetophenone; 4'-Me ether, O-[4-O-galloyl-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O16 612.169034 NA MeJP NA NA +MJ085837 2',4'-Dihydroxyacetophenone; 4'-Me ether, O-[5-O-galloyl-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C27H32O16 612.169034 NA MeJP NA NA +MJ085838 2',4'-Dihydroxyacetophenone; 4'-Me ether, O-[?-D-apiofuranosyl-(1?6)-4-O-galloyl-?-D-glucopyranoside] C27H32O16 612.169034 NA MeJP NA NA +MJ085839 2',4'-Dihydroxyacetophenone; 4'-Me ether, O-[?-L-arabinopyranosyl-(1?6)-4-O-galloyl-?-D-glucopyranoside] C27H32O16 612.169034 NA MeJP NA NA +MJ085840 3',4',5,7-Tetrahydroxyflavanone, 3',5-Di-O-?-D-Glucopyranoside C27H32O16 612.169034 NA MeJP NA NA +MJ085841 3,3',4',5',7-Pentahydroxyflavanone, 7-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C27H32O16 612.169034 NA MeJP NA NA +MJ085842 3,3',4',5,7-Pentahydroxyflavanone, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranoside] C27H32O16 612.169034 NA MeJP NA NA +MJ085843 3,3',4',5,7-Pentahydroxyflavanone, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C27H32O16 612.169034 NA MeJP NA NA +MJ085844 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 5-Glycoside C27H32O16 612.169034 NA MeJP NA NA +MJ085845 3,4',5,7-Tetrahydroxyflavanone, 3,7-Di-O-?-D-glucopyranoside C27H32O16 612.169034 NA MeJP NA NA +MJ085846 Hydroxysafflor yellow A C27H32O16 612.169034 NA MeJP NA NA +MJ085847 Safflomin A C27H32O16 612.169034 NA MeJP NA NA +MJ085848 Staunoside F C27H32O16 612.169034 NA MeJP NA NA +PJ008839 SSSCDD C20H32N6O14S 612.1697 NA PeJP NA NA +PJ008840 CNDMM C21H36N6O9S3 612.1706 NA PeJP NA NA +PJ008841 CCCER C20H36N8O8S3 612.1819 NA PeJP NA NA +PJ008842 CNDDF C24H32N6O11S 612.185 NA PeJP NA NA +PJ008843 ACCMW C25H36N6O6S3 612.1859 NA PeJP NA NA +MJ085849 N-[5-[5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]dec-8-yl)-1-oxopentyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide C27H31F3N4O7S 612.186554 NA MeJP NA NA +PJ008844 GSSCEM C21H36N6O11S2 612.1884 NA PeJP NA NA +PJ008845 CCNHH C22H32N10O7S2 612.1897 NA PeJP NA NA +PJ008846 SNDDY C24H32N6O13 612.2027 NA PeJP NA NA +PJ008847 GGSDDY C24H32N6O13 612.2028 NA PeJP NA NA +PJ008848 SSCMW C25H36N6O8S2 612.2036 NA PeJP NA NA +MJ085850 2-(4-Hydroxyphenyl)ethanol; 1-O-[4-Hydroxy-3,5-dimethoxybenzoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C28H36O15 612.20542 NA MeJP NA NA +MJ085851 3,4-Dihydro-3,6,8,9-tetrahydroxy-3-methyl-1(2H)-anthracenone, 6-Me ether, 8-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C28H36O15 612.20542 NA MeJP NA NA +MJ085852 5,9,10-Trihydroxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-4(3H)-one, 9-Me ether, 5-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C28H36O15 612.20542 NA MeJP NA NA +MJ085853 Lamiide; 7-(3,4-Dimethoxycinnamoyl)(E-) C28H36O15 612.20542 NA MeJP NA NA +MJ085854 Melampyroside; 6'-O-Glucopyranoside C28H36O15 612.20542 NA MeJP NA NA +MetaCyc03977 neohesperidin dihydrochalcone [] C28H36O15 612.20542 NA metacyc NA NA +PJ008849 SSSSDM C21H36N6O13S 612.2061 NA PeJP NA NA +PJ008850 SNMMM C22H40N6O8S3 612.207 NA PeJP NA NA +PJ008851 GPPCCH C24H36N8O7S2 612.2149 NA PeJP NA NA +PJ008852 TCCMR C21H40N8O7S3 612.2182 NA PeJP NA NA +MJ085855 1,7-Bis(3,4-dihydroxyphenyl)-5-hydroxy-3-heptanone, 5-O-(6-O-Benzoyl-?-D-glucopyranoside) C32H36O12 612.220676 NA MeJP NA NA +MJ085856 Filixic acids; Filixic acid ABA C32H36O12 612.220676 NA MeJP NA NA +PJ008853 GNEMY C25H36N6O10S 612.2214 NA PeJP NA NA +C02880 Protochlorophyllide C35H32MgN4O5 612.2223 NA KEGG NA NA +C02881 PyroGlu-His-Xaa-Gly C35H32MgN4O5 612.2223 NA KEGG NA NA +C02882 S-Aryl-L-cysteine C3H6NO2SR 612.2223 NA KEGG NA NA +C11830 13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester C35H32MgN4O5 612.2223 NA KEGG NA NA +C11832 Divinyl chlorophyllide a C35H32MgN4O5 612.2223 NA KEGG NA NA +MetaCyc03978 divinylchlorophyllide a [] C35H32N4O5MG1 612.222312 NA metacyc NA NA +MetaCyc03979 131-oxo-magnesium-protoporphyrin IX 13-monomethyl ester [] C35H32N4O5MG1 612.222312 NA metacyc NA NA +MetaCyc03980 monovinyl protochlorophyllide a [protochlorophyllide;monovinyl protochlrophyllide a;] C35H32N4O5MG1 612.222312 14751-08-7 metacyc NA NA +MJ085857 Chloroserpidine C32H37ClN2O8 612.223843 NA MeJP NA NA +PJ008854 GSSTMM C22H40N6O10S2 612.2248 NA PeJP NA NA +PJ008855 NNNDH C22H32N10O11 612.2252 NA PeJP NA NA +PJ008856 GGGGGGDH C22H32N10O11 612.2253 NA PeJP NA NA +C05080 Novobiocin C31H36N2O11 612.2319 NA KEGG NA NA +C05085 Sulphometuron methyl C31H36N2O11 612.2319 NA KEGG NA NA +MJ085858 Novobiocin C31H36N2O11 612.23191 NA MeJP NA NA +PJ008857 GCDRY C24H36N8O9S 612.2326 NA PeJP NA NA +MJ085859 6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 3?,4?:13?,14?-Diepoxide,12-hexanoyl, 2,9-di-Ac C30H41ClO11 612.233739 NA MeJP NA NA +PJ008858 NMYW C29H36N6O7S 612.2366 NA PeJP NA NA +PJ008859 SSQEY C25H36N6O12 612.2391 NA PeJP NA NA +PJ008860 PCCKY C26H40N6O7S2 612.24 NA PeJP NA NA +PJ008861 SSSTTM C22H40N6O12S 612.2425 NA PeJP NA NA +PJ008862 TCKMM C23H44N6O7S3 612.2434 NA PeJP NA NA +PJ008863 APCHW C28H36N8O6S 612.2479 NA PeJP NA NA +PJ008864 AQEEH C24H36N8O11 612.2504 NA PeJP NA NA +PJ008865 GCMFR C25H40N8O6S2 612.2513 NA PeJP NA NA +PJ008866 GSTYW C29H36N6O9 612.2544 NA PeJP NA NA +MJ085860 1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 11-Ketone, 1-benzoyl, 2,3,7-tri-Ac C33H40O11 612.257062 NA MeJP NA NA +MJ085861 11(15?1)-Abeo-2,5,7,9,10,15-hexahydroxy-4(20),11-taxadien-13-one, 10-Benzoyl, 2,7,9-tri-Ac C33H40O11 612.257062 NA MeJP NA NA +MJ085862 19-Hydroxyingol; 8-Benzoyl, 3,7,12-tri-Ac C33H40O11 612.257062 NA MeJP NA NA +MJ085863 Karajinone B C33H40O11 612.257062 NA MeJP NA NA +MJ085864 Limbocidin; 11,12-Bis(deoxy) C33H40O11 612.257062 NA MeJP NA NA +MJ085865 Perdeacyldecipinone; 5-Benzoyl, 3,13,15-tri-Ac C33H40O11 612.257062 NA MeJP NA NA +MJ085866 Toonacilin; 6-Acetoxy C33H40O11 612.257062 NA MeJP NA NA +MJ085867 Trichilia lactone D4 C33H40O11 612.257062 NA MeJP NA NA +PJ008867 GDKMY C26H40N6O9S 612.2578 NA PeJP NA NA +PJ008868 GDEHR C23H36N10O10 612.2616 NA PeJP NA NA +MJ085868 Cholestane-3,4,11,12,21-pentol, 3,21-Disulfate C27H48O11S2 612.263803 NA MeJP NA NA +PJ008869 AAEHW C28H36N8O8 612.2656 NA PeJP NA NA +PJ008870 GSMRY C25H40N8O8S 612.269 NA PeJP NA NA +PJ008871 NFFW C33H36N6O6 612.2697 NA PeJP NA NA +MJ085869 2,9-Bis[2-(1-piperidinyl)ethyl]anthra[2,1,9-def:6,5,10-d',e',f']diisoquinoline-1,3,8,10(2H,9H)-tetrone C38H36N4O4 612.273655 NA MeJP NA NA +PJ008872 SSKEY C26H40N6O11 612.2755 NA PeJP NA NA +PJ008873 GKMMF C27H44N6O6S2 612.2764 NA PeJP NA NA +PJ008874 DHRW C27H36N10O7 612.2769 NA PeJP NA NA +MJ085870 2,3,4,8,9,11,12,17-Octahydroxy-5,13-briaradien-18,7-olide, 4-Hexanoyl, 2,9-di-Ac C30H44O13 612.278191 NA MeJP NA NA +MJ085871 Picrasinoside H C30H44O13 612.278191 NA MeJP NA NA +PJ008875 PTCHR C24H40N10O7S 612.2802 NA PeJP NA NA +MJ085872 Aestivophoenin B C36H40N2O7 612.283551 NA MeJP NA NA +PJ008876 SSTRY C25H40N8O10 612.2867 NA PeJP NA NA +PJ008877 PPDER C25H40N8O10 612.2868 NA PeJP NA NA +MJ085873 Spumigin C C30H40N6O8 612.290762 NA MeJP NA NA +PJ008878 PPVDW C30H40N6O8 612.2908 NA PeJP NA NA +MJ085874 3,5,7,8,15-Pentahydroxy-6(17)11-jatrophadiene-9,14-dione, 5-Benzoyl, 7-(2-methylpropanoyl), 3-propanoyl C34H44O10 612.293447 NA MeJP NA NA +MJ085875 Ohchinolal C34H44O10 612.293447 NA MeJP NA NA +MJ085876 Orevactaene C34H44O10 612.293447 NA MeJP NA NA +PJ008879 ATKMY C27H44N6O8S 612.2941 NA PeJP NA NA +PJ008880 APPPTM C27H44N6O8S 612.2942 NA PeJP NA NA +7709 NA DWNKDLHIW~ 612.29535 MH2+ Inhouse_peptide NA peptide +4001 Substance P 7-11 FFGLM~ 612.2974 haemolytic Inhouse_peptide NA peptide +PJ008881 ATEHR C24H40N10O9 612.298 NA PeJP NA NA +MJ085877 Phytonadiol diphosphate C31H50O8P2 612.298091 NA MeJP NA NA +MJ085878 1,4,6,11,14-Eudesmanepentol, 6-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H48O15 612.29932 NA MeJP NA NA +PJ008882 GTLHW C29H40N8O7 612.302 NA PeJP NA NA +PJ008883 PTKMH C26H44N8O7S 612.3054 NA PeJP NA NA +PJ008884 TTTKY C27H44N6O10 612.3119 NA PeJP NA NA +PJ008885 GPHFR C28H40N10O6 612.3133 NA PeJP NA NA +MJ085879 15-Hydroxy-16-kauren-19-oic acid, 15-O-?-L-Arabinopyranoside, ?-D-glucopyranosyl ester C31H48O12 612.314577 NA MeJP NA NA +MJ085880 4-O-?-D-Arabinopyranosyl-D-arabinose; 2,2',3-Tri-Ac, 1-O-(3,7,11-trimethyl-2,6,10-dodecatrienyl) C31H48O12 612.314577 NA MeJP NA NA +PJ008886 GLMHR C25H44N10O6S 612.3166 NA PeJP NA NA +PJ008887 SLKEH C26H44N8O9 612.3231 NA PeJP NA NA +PJ008888 GSSLLH C26H44N8O9 612.3232 NA PeJP NA NA +MJ085881 Antibiotic WS 7338; Antibiotic WS 7338B C31H44N6O7 612.327147 NA MeJP NA NA +MJ085882 Antibiotic WS 7338; Antibiotic WS 7338C C31H44N6O7 612.327147 NA MeJP NA NA +MJ085883 Spumigin B1; 1'-Alcohol C31H44N6O7 612.327147 NA MeJP NA NA +PJ008889 PPTLW C31H44N6O7 612.3272 NA PeJP NA NA +MJ085884 14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 3-(7-Methoxycarbonylheptanoyl), 16-Ac C35H48O9 612.329833 NA MeJP NA NA +PJ008890 APPCLL C28H48N6O7S 612.3305 NA PeJP NA NA +PJ008891 GPPVLM C28H48N6O7S 612.3306 NA PeJP NA NA +PJ008892 STLHR C25H44N10O8 612.3344 NA PeJP NA NA +PJ008893 KFRY C30H44N8O6 612.3384 NA PeJP NA NA +PJ008894 PPLMR C27H48N8O6S 612.3418 NA PeJP NA NA +MJ085885 Pyrrhoxanthinol; 3-Ac C39H48O6 612.345089 NA MeJP NA NA +MJ085886 Bagougeramine B C24H44N12O7 612.345591 NA MeJP NA NA +PJ008895 GPQRR C24H44N12O7 612.3456 NA PeJP NA NA +MJ085887 Hazuntiphyllidine; 2'-Deoxy, 2',16'-didehydro C40H44N4O2 612.346426 NA MeJP NA NA +MJ085888 Pycnanthine C40H44N4O2 612.346426 NA MeJP NA NA +MJ085889 Strychnobiline; 16',17'-Diepimer, 16,17-didehydro C40H44N4O2 612.346426 NA MeJP NA NA +PJ008896 AAPLLE C28H48N6O9 612.3483 NA PeJP NA NA +MJ085890 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 3-O-?-D-Xylopyranoside C32H52O11 612.350962 NA MeJP NA NA +MJ085891 Spirostane-1,2,3,4,5-pentol, 1-O-?-D-Xylopyranoside C32H52O11 612.350962 NA MeJP NA NA +PJ008897 PVLER C27H48N8O8 612.3595 NA PeJP NA NA +PJ008898 PVVLW C32H48N6O6 612.3636 NA PeJP NA NA +C09127 Mancinellin C36H52O8 612.3662 NA KEGG NA NA +MJ085892 3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, Tri-Ac C36H52O8 612.366218 NA MeJP NA NA +MJ085893 6,7-Epoxy-4,5,9,13,20-pentahydroxy-1-tiglien-3-one, 13-(2E,4E,6E-Hexadecatrienoyl) C36H52O8 612.366218 NA MeJP NA NA +MJ085894 Antibiotic S 541; Antibiotic S 541A C36H52O8 612.366218 NA MeJP NA NA +MJ085895 Antibiotic S 541; Antibiotic S 541E C36H52O8 612.366218 NA MeJP NA NA +MJ085896 Antibiotic UK 86956 C36H52O8 612.366218 NA MeJP NA NA +MJ085897 Meilingmycin C36H52O8 612.366218 NA MeJP NA NA +PJ008899 PVNKR C26H48N10O7 612.3708 NA PeJP NA NA +MJ085898 Eisenia Inhibitory peptapeptides; EIPP 3 C31H48N8O5 612.374766 NA MeJP NA NA +MJ085899 2,2',3,3'-Tetrahydroxy-?,?-carotene-4,4'-dione; 2'-Deoxy C40H52O5 612.381474 NA MeJP NA NA +MJ085900 Mytiloxanthin; 4-Oxo C40H52O5 612.381474 NA MeJP NA NA +MJ085901 Uriolide; 3-Ketone C40H52O5 612.381474 NA MeJP NA NA +PJ008900 GPKRR C25H48N12O6 612.382 NA PeJP NA NA +PJ008901 GPTLLL C29H52N6O8 612.3847 NA PeJP NA NA +HMDB10355 Cholestane-3,7,12,25-tetrol-3-glucuronide C33H56O10 612.387329 NA HMDB2010 NA NA +MJ085902 3,14,20,22-Tetrahydroxycholestan-6-one, 3-O-?-D-Allopyranoside C33H56O10 612.387348 NA MeJP NA NA +MJ085903 3,14,20,22-Tetrahydroxycholestan-6-one, 3-O-?-D-Glucopyranoside C33H56O10 612.387348 NA MeJP NA NA +MJ085904 Furostane-2,3,22,26-tetrol, 26-O-?-D-Glucopyranoside C33H56O10 612.387348 NA MeJP NA NA +PJ008902 PLQKK C28H52N8O7 612.3959 NA PeJP NA NA +MJ085905 Nemadectin ?2; 6-Deoxy, O5-Me C37H56O7 612.402604 NA MeJP NA NA +PJ008903 AALLLL C30H56N6O7 612.4211 NA PeJP NA NA +PJ008904 VLLLR C29H56N8O6 612.4323 NA PeJP NA NA +MJ085906 Bistellettadine A C30H52N12O2 612.433618 NA MeJP NA NA +MJ085907 Bengamide Z; 6-O-(13-Methyltetradecanoyl) C33H60N2O8 612.434966 NA MeJP NA NA +MJ085908 Bengamide Z; 6-O-Pentadecanoyl C33H60N2O8 612.434966 NA MeJP NA NA +MJ085909 17-Methylandrost-5-ene-3,17-diol, 3,17-Bis(3-oxononanoyl) C38H60O6 612.438989 NA MeJP NA NA +MJ085910 1,1'-Dimethoxy-3',4'-didehydro-1,1',2,2'-tetrahydro-?,?-caroten-4-one C42H60O3 612.454245 NA MeJP NA NA +MJ085911 Annomuricin A C35H64O8 612.460119 NA MeJP NA NA +MJ085912 Annomuricin-D-one C35H64O8 612.460119 NA MeJP NA NA +MJ085913 Annonacin; 8-Hydroxy C35H64O8 612.460119 NA MeJP NA NA +MJ085914 Annonacin; Stereoisomer, 8-hydroxy C35H64O8 612.460119 NA MeJP NA NA +MJ085915 Annopentocin A C35H64O8 612.460119 NA MeJP NA NA +MJ085916 Annoreticuin; 9-Deoxy, 8,13-dihydroxy C35H64O8 612.460119 NA MeJP NA NA +MJ085917 Donnaienin C35H64O8 612.460119 NA MeJP NA NA +MJ085918 Goniodonin C35H64O8 612.460119 NA MeJP NA NA +MJ085919 Muricapentocin C35H64O8 612.460119 NA MeJP NA NA +MJ085920 Muricatalicin C35H64O8 612.460119 NA MeJP NA NA +MJ085921 Muricatalin C35H64O8 612.460119 NA MeJP NA NA +MJ085922 Muricatin A C35H64O8 612.460119 NA MeJP NA NA +MJ085923 Glycerol 1,3-dialkanoates; Glycerol 1,3-di-(9Z,12Z,15Z-octadecatrienoate) C39H64O5 612.475375 NA MeJP NA NA +HMDB07034 DG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C39H64O5 612.475403 NA HMDB2010 NA NA +HMDB07061 DG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C39H64O5 612.475403 NA HMDB2010 NA NA +HMDB07062 DG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C39H64O5 612.475403 NA HMDB2010 NA NA +HMDB07143 DG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C39H64O5 612.475403 NA HMDB2010 NA NA +HMDB07251 DG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C39H64O5 612.475403 NA HMDB2010 NA NA +HMDB07278 DG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/0:0) C39H64O5 612.475403 NA HMDB2010 NA NA +HMDB07279 DG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/0:0) C39H64O5 612.475403 NA HMDB2010 NA NA +HMDB07307 DG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/0:0) C39H64O5 612.475403 NA HMDB2010 NA NA +HMDB07308 DG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/0:0) C39H64O5 612.475403 NA HMDB2010 NA NA +HMDB07335 DG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/0:0) C39H64O5 612.475403 NA HMDB2010 NA NA +HMDB07563 DG(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)/0:0) C39H64O5 612.475403 NA HMDB2010 NA NA +HMDB07705 DG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/0:0) C39H64O5 612.475403 NA HMDB2010 NA NA +HMDB07734 DG(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/0:0) C39H64O5 612.475403 NA HMDB2010 NA NA +HMDB07762 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0/0:0) C39H64O5 612.475403 NA HMDB2010 NA NA +MJ085924 1-Dotriacontanol; p-Hydroxycinnamoyl C41H72O3 612.548146 NA MeJP NA NA +MJ085925 Ioprocemic acid C13H14I3NO3 612.810773 NA MeJP NA NA +MJ085926 Maedamine A; N-De-Me C22H22Br3N3O3 612.921129 NA MeJP NA NA +MJ085927 N-[6-[2-[(5-Bromo-2-pyrimidinyl)oxy]ethoxy]-5-(4-methylphenyl)-4-pyrimidinyl]-4-(2-hydroxy-1,1-dimethylethyl)benzenesulfonamide C27H28BrN5O5S 613.099452 NA MeJP NA NA +MJ085928 4-Hydroxybenzyl glucosinolate; 4-(4-O-Acetyl-?-L-rhamnopyranoside) C22H31NO15S2 613.11351 NA MeJP NA NA +PJ008905 GCCCND C19H31N7O10S3 613.1295 NA PeJP NA NA +MJ085929 Deacylconvolutamide; N-(9Z-Octadecenoyl) C28H41Br2NO4 613.140234 NA MeJP NA NA +PJ008906 CDDMM C21H35N5O10S3 613.1546 NA PeJP NA NA +PJ008907 GSCCNM C20H35N7O9S3 613.1659 NA PeJP NA NA +PJ008908 CDDDF C24H31N5O12S 613.169 NA PeJP NA NA +PJ008909 CCDHH C22H31N9O8S2 613.1737 NA PeJP NA NA +PJ008910 SSSCCQ C20H35N7O11S2 613.1836 NA PeJP NA NA +PJ008911 SDDDY C24H31N5O14 613.1868 NA PeJP NA NA +PJ008912 PCCEY C25H35N5O9S2 613.1876 NA PeJP NA NA +PJ008913 SDMMM C22H39N5O9S3 613.191 NA PeJP NA NA +PJ008914 CCNQF C24H35N7O8S2 613.1989 NA PeJP NA NA +PJ008915 GSSSSSC C20H35N7O13S 613.2014 NA PeJP NA NA +PJ008916 GTCCCK C21H39N7O8S3 613.2023 NA PeJP NA NA +PJ008917 GDEMY C25H35N5O11S 613.2054 NA PeJP NA NA +PJ008918 NNDDH C22H31N9O12 613.2092 NA PeJP NA NA +PJ008919 GGNDDH C22H31N9O12 613.2093 NA PeJP NA NA +PJ008920 AMMMM C23H43N5O6S4 613.2096 NA PeJP NA NA +PJ008921 SCMHH C23H35N9O7S2 613.2101 NA PeJP NA NA +PJ008922 SCNQY C24H35N7O10S 613.2166 NA PeJP NA NA +PJ008923 SSSCCK C21H39N7O10S2 613.22 NA PeJP NA NA +PJ008924 DMYW C29H35N5O8S 613.2207 NA PeJP NA NA +PJ008925 SSEEY C25H35N5O13 613.2231 NA PeJP NA NA +PJ008926 PTCMY C26H39N5O8S2 613.224 NA PeJP NA NA +PJ008927 TTMMM C23H43N5O8S3 613.2274 NA PeJP NA NA +PJ008928 GSPCNH C23H35N9O9S 613.2279 NA PeJP NA NA +MJ085930 Neoacrimarine E C35H35NO9 613.231181 NA MeJP NA NA +PJ008929 GSSSNY C24H35N7O12 613.2344 NA PeJP NA NA +PJ008930 CCNKF C25H39N7O7S2 613.2353 NA PeJP NA NA +MJ085931 Pseudolycorine; O1,O2-Di-O-?-D-glucopyranoside C28H39NO14 613.237054 NA MeJP NA NA +PJ008931 GPDYY C29H35N5O10 613.2384 NA PeJP NA NA +PJ008932 MMFW C30H39N5O5S2 613.2393 NA PeJP NA NA +PJ008933 ATEMY C26H39N5O10S 613.2418 NA PeJP NA NA +PJ008934 ACHHF C27H35N9O6S 613.2431 NA PeJP NA NA +PJ008935 SNQEH C23H35N9O11 613.2456 NA PeJP NA NA +PJ008936 GNNFY C28H35N7O9 613.2496 NA PeJP NA NA +PJ008937 GGGNFY C28H35N7O9 613.2497 NA PeJP NA NA +PJ008938 SCNKY C25H39N7O9S 613.253 NA PeJP NA NA +PJ008939 DFFW C33H35N5O7 613.2537 NA PeJP NA NA +PJ008940 GPMFY C30H39N5O7S 613.257 NA PeJP NA NA +PJ008941 TTTEY C26H39N5O12 613.2595 NA PeJP NA NA +PJ008942 GLMMY C27H43N5O7S2 613.2604 NA PeJP NA NA +PJ008943 GSQHW C27H35N9O8 613.2609 NA PeJP NA NA +PJ008944 AQQMH C24H39N9O8S 613.2642 NA PeJP NA NA +PJ008945 GAAQMH C24H39N9O8S 613.2643 NA PeJP NA NA +C07597 Ferroxamine C25H45FeN6O8 613.2648 NA KEGG NA NA +PJ008946 SLEEH C25H39N7O11 613.2708 NA PeJP NA NA +PJ008947 PVMMH C26H43N7O6S2 613.2716 NA PeJP NA NA +PJ008948 SPHHH C26H35N11O7 613.2721 NA PeJP NA NA +PJ008949 APTYY C30H39N5O9 613.2748 NA PeJP NA NA +PJ008950 GNMHR C23H39N11O7S 613.2755 NA PeJP NA NA +7891 peptide from bovine b-lactoglobulin A WYSLAMAASDI 613.27615 MH2+ Inhouse_peptide NA peptide +PJ008951 STLMY C27H43N5O9S 613.2782 NA PeJP NA NA +C17589 6'''-Deamino-6'''-dehydro-6'''-oxoneomycin C C23H43N5O14 613.2807 NA KEGG NA NA +PJ008952 SNKEH C24H39N9O10 613.282 NA PeJP NA NA +PJ008953 SPPQW C29H39N7O8 613.286 NA PeJP NA NA +PJ008954 VVEMH C26H43N7O8S 613.2894 NA PeJP NA NA +PJ008955 VFYW C34H39N5O6 613.2901 NA PeJP NA NA +PJ008956 SSQHR C23H39N11O9 613.2932 NA PeJP NA NA +PJ008957 GGSTHR C23H39N11O9 613.2933 NA PeJP NA NA +PJ008958 GLMFF C31H43N5O6S 613.2934 NA PeJP NA NA +PJ008959 GSKHW C28H39N9O7 613.2973 NA PeJP NA NA +PJ008960 PPNMR C25H43N9O7S 613.3006 NA PeJP NA NA +PJ008961 GGPPMR C25H43N9O7S 613.3007 NA PeJP NA NA +MJ085932 Phoslactomycin; Phoslactomycin C C30H48NO10P 613.301583 NA MeJP NA NA +MJ085933 Phosphazomycin C2 C30H48NO10P 613.301583 NA MeJP NA NA +PJ008962 GSPPKE C26H43N7O10 613.3072 NA PeJP NA NA +PJ008963 ALHHH C27H39N11O6 613.3085 NA PeJP NA NA +PJ008964 GVLYY C31H43N5O8 613.3112 NA PeJP NA NA +PJ008965 ACKHR C24H43N11O6S 613.3119 NA PeJP NA NA +PJ008966 PVNER C25H43N9O9 613.3184 NA PeJP NA NA +PJ008967 SPPKW C30H43N7O7 613.3224 NA PeJP NA NA +MJ085934 4-Methylaconitane-1,3,6,8,14,16,18-heptol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-benzoyl, 8-Ac C34H47NO9 613.325082 NA MeJP NA NA +MJ085935 Isodelphinine; N-De-Me, N-Et C34H47NO9 613.325082 NA MeJP NA NA +MJ085936 Oleficin C34H47NO9 613.325082 NA MeJP NA NA +PJ008968 TLLMH C27H47N7O7S 613.3258 NA PeJP NA NA +PJ008969 GPERR C24H43N11O8 613.3296 NA PeJP NA NA +PJ008970 GPVRW C29H43N9O6 613.3337 NA PeJP NA NA +PJ008971 AKKMH C26H47N9O6S 613.337 NA PeJP NA NA +EUR797 Lyso PC 22:6 [M+FA-H]- C30H50NO7P 613.337372 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR797 Lyso PC 22:6 [M+FA-H]- C30H50NO7P 613.337372 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR797 Lyso PC 22:6 [M+FA-H]- C30H50NO7P 613.337372 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR797 Lyso PC 22:6 [M+FA-H]- C30H50NO7P 613.337372 masses lipides attendues Inhousejuil11 NA NA +EUR928 Lyso PE 24:6 [M-H+acetate]- C29H48NO7P 613.337942 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR928 Lyso PE 24:6 [M-H+acetate]- C29H48NO7P 613.337942 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR928 Lyso PE 24:6 [M-H+acetate]- C29H48NO7P 613.337942 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR928 Lyso PE 24:6 [M-H+acetate]- C29H48NO7P 613.337942 masses lipides attendues Inhousejuil11 NA NA +PJ008972 PLQKE C27H47N7O9 613.3435 NA PeJP NA NA +PJ008973 GAPLKE C27H47N7O9 613.3436 NA PeJP NA NA +PJ008974 PRRW C28H43N11O5 613.3449 NA PeJP NA NA +MJ085937 Platenomycin A1; Demycarosyl C31H51NO11 613.346211 NA MeJP NA NA +MJ085938 Toxiferine I; Monodeoxy C40H46N4O2(+) 613.354251 NA MeJP NA NA +PJ008975 PVDKR C26H47N9O8 613.3548 NA PeJP NA NA +PJ008976 APLKW C31H47N7O6 613.3588 NA PeJP NA NA +C07051 Indinavir C36H47N5O4 613.3628 NA KEGG NA NA +MJ085939 Indinavir C36H47N5O4 613.362805 NA MeJP NA NA +PJ008977 SPVRR C25H47N11O7 613.366 NA PeJP NA NA +PJ008978 PLKKE C28H51N7O8 613.3799 NA PeJP NA NA +PJ008979 GGAALLL C28H51N7O8 613.38 NA PeJP NA NA +PJ008980 PTLKR C27H51N9O7 613.3912 NA PeJP NA NA +PJ008981 GLLRR C26H51N11O6 613.4024 NA PeJP NA NA +PJ008982 LLLQK C29H55N7O7 613.4163 NA PeJP NA NA +PJ008983 VVLKR C28H55N9O6 613.4276 NA PeJP NA NA +MJ085940 Stevastelin C3 C32H59N3O8 613.430215 NA MeJP NA NA +PJ008984 LLLKK C30H59N7O6 613.4527 NA PeJP NA NA +MJ085941 Pirralkonium(1+); Bromide C35H72BrN3 613.490961 NA MeJP NA NA +MJ085942 2-Amino-1,3,4-tricosanetriol, N-(2R-Hydroxytetradecanoyl) C37H75NO5 613.564524 NA MeJP NA NA +MJ085943 3,5-Diamino-2,4,6-triiodobenzoic acid; N,N'-Di-Ac C11H9I3N2O4 613.769637 NA MeJP NA NA +MJ085944 Iotalamic acid C11H9I3N2O4 613.769637 NA MeJP NA NA +MJ085945 5,5'-(1,2-Dibromo-1,2-ethanediylidene)bis[4-bromo-3-butyl-2(5H)-furanone] C18H18Br4O4 613.793859 NA MeJP NA NA +MJ085946 Iocetamic acid C12H13I3N2O3 613.806022 NA MeJP NA NA +MJ085947 Iomeglamic acid C12H13I3N2O3 613.806022 NA MeJP NA NA +7663 ACE inhibitor from b-CN (193-202) YQEPVLQPVR 613.823 MH2+ Inhouse_peptide NA peptide +2881 opioid fragment of b-lipotropin b/a-neoendorphin YGGFLRKYPK 613.8305 MH2+ Inhouse_peptide NA peptide +MJ085948 N-[2-[3,5-Dibromo-4-[3-[(3-methyl-1-oxo-2-butenyl)amino]propoxy]phenyl]ethyl]-4-hydroxybenzeneacetamide; Monoiodo analogue C24H28BrIN2O4 614.027713 NA MeJP NA NA +MJ085949 Castacrenin A C27H18O17 614.054399 NA MeJP NA NA +MJ085950 Castacrenin B C27H18O17 614.054399 NA MeJP NA NA +MJ085951 Castacrenin C C27H18O17 614.054399 NA MeJP NA NA +MJ085952 Crisamicin A; 1-Hydroxy C32H22O13 614.10604 NA MeJP NA NA +MJ085953 Crisamicin A; 4'a,10'a-Epoxide C32H22O13 614.10604 NA MeJP NA NA +MJ085954 Crisamicin A; 9'-Hydroxy C32H22O13 614.10604 NA MeJP NA NA +MJ085955 Triumbellatin; 7'-O-D-Apiofuranoside C32H22O13 614.10604 NA MeJP NA NA +PJ008985 GCCCDD C19H30N6O11S3 614.1135 NA PeJP NA NA +MJ085956 2-Cinnamoyl-1,6-digalloylglucose; ?-D-Pyranose-form C29H26O15 614.12717 NA MeJP NA NA +MJ085957 6-O-Cinnamoylglucose; ?-D-form, 1,2-Bis(3,4,5-trihydroxybenzoyl) C29H26O15 614.12717 NA MeJP NA NA +PJ008986 SPCCCC C20H34N6O8S4 614.1321 NA PeJP NA NA +MJ085958 CMP-N-acetylneuraminate C20H31N4O16P 614.147267 NA MeJP NA NA +MetaCyc03981 CMP-N-acetylneuraminate [cytidine monophosphate N-acetylneuraminate;cytidine monophosphate N-acetylneuraminic acid;] C20H31N4O16P1 614.147267 3063-71-6 metacyc NA NA +HMDB01176 Cytidine monophosphate N-acetylneuraminic acid C20H31N4O16P 614.147278 NA HMDB2010 NA NA +HMDB01176 Cytidine monophosphate N-acetylneuraminic acid C20H31N4O16P 614.14728 http://www.hmdb.ca/metabolites/HMDB01176 HMDB NA NA +HMDB01176 Cytidine monophosphate N-acetylneuraminic acid C20H31N4O16P 614.14728 HMDB01176 PFEM_hmdb_metabocards_official NA NA +C00128 CMP-N-acetylneuraminate C20H31N4O16P 614.1473 NA KEGG NA NA +PJ008987 GSCCDM C20H34N6O10S3 614.1499 NA PeJP NA NA +FL1CQUCN0001 Safflomin C C30H30O14 614.16355 126093-98-9 knapsack NA NA +MJ085959 Cinchonain Ic; 8-Epimer, 9-O-?-D-glucopyranoside C30H30O14 614.163555 NA MeJP NA NA +MJ085960 Safflomin C C30H30O14 614.163555 NA MeJP NA NA +PJ008988 TCCCW C24H34N6O7S3 614.1651 NA PeJP NA NA +PJ008989 SSSCCE C20H34N6O12S2 614.1676 NA PeJP NA NA +PJ008990 CCQMM C21H38N6O7S4 614.1685 NA PeJP NA NA +MJ085961 16-Chloro-11,20-epoxy-2,8,9,12,13,14-hexahydroxy-3,5-briaradien-18,7-olide; 2,9,13,14-Tetra-Ac C28H35ClO13 614.176618 NA MeJP NA NA +MJ085962 6-Chloro-11,20-epoxy-2,8,9,12,13,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 2,9,13,14-Tetra-Ac C28H35ClO13 614.176618 NA MeJP NA NA +MJ085963 Trianguletin; 4'''-Hydroxy C34H30O11 614.178811 NA MeJP NA NA +PJ008991 CCCMR C20H38N8O6S4 614.1797 NA PeJP NA NA +PJ008992 CCNEF C24H34N6O9S2 614.1829 NA PeJP NA NA +FL63ACGS0021 Catechin 5,3'-di-O-beta-D-glucopyranoside C27H34O16 614.18468 105330-54-9 knapsack NA NA +FL63ACGS0022 Catechin 5,4'-di-O-beta-D-glucopyranoside C27H34O16 614.18468 105330-56-1 knapsack NA NA +FL63ACGS0023 Catechin 7,3'-di-O-beta-D-glucopyranoside C27H34O16 614.18468 105330-53-8 knapsack NA NA +FL63ACGS0024 Catechin 3',4'-di-O-beta-D-glucopyranoside C27H34O16 614.18468 105330-55-0 knapsack NA NA +FL63ECGS0001 3,5,7,3',4'-Pentahydroxy-6-methoxyflavan 3-O-[glucopyranosyl-(4->1)-alpha-D-xylopyranoside] C27H34O16 614.18468 73566-31-1 knapsack NA NA +MJ085964 2',3,4,4'-Tetrahydroxychalcone; 4'-O-(Arabinosylgalactoside) C27H34O16 614.184685 NA MeJP NA NA +MJ085965 3,3',4',5,7-Pentahydroxyflavan, 3',4'-Di-O-?-D-glucopyranoside C27H34O16 614.184685 NA MeJP NA NA +MJ085966 3,3',4',5,7-Pentahydroxyflavan, 3',5-Di-O-?-D-glucopyranoside C27H34O16 614.184685 NA MeJP NA NA +MJ085967 3,3',4',5,7-Pentahydroxyflavan, 3',7-Di-O-?-D-glucopyranoside C27H34O16 614.184685 NA MeJP NA NA +MJ085968 3,3',4',5,7-Pentahydroxyflavan, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H34O16 614.184685 NA MeJP NA NA +MJ085969 3,3',4',5,7-Pentahydroxyflavan, 4',5-Di-O-?-D-glucopyranoside C27H34O16 614.184685 NA MeJP NA NA +C10805 Leiocarposide C27H34O16 614.1847 NA KEGG NA NA +PJ008993 GSSCMM C21H38N6O9S3 614.1863 NA PeJP NA NA +PJ008994 NDDDH C22H30N8O13 614.1933 NA PeJP NA NA +PJ008995 GCCFW C28H34N6O6S2 614.1981 NA PeJP NA NA +MJ085970 6-Hydroxyloganin; 6,7-Dibenzoyl C31H34O13 614.199941 NA MeJP NA NA +MJ085971 Paeoniflorin; 6'-(4-Methoxybenzoyl) C31H34O13 614.199941 NA MeJP NA NA +MJ085972 Resinoside A C31H34O13 614.199941 NA MeJP NA NA +PJ008996 SCNEY C24H34N6O11S 614.2006 NA PeJP NA NA +PJ008997 GGSCEY C24H34N6O11S 614.2007 NA PeJP NA NA +PJ008998 SSSTCM C21H38N6O11S2 614.204 NA PeJP NA NA +PJ008999 CCKMM C22H42N6O6S4 614.2049 NA PeJP NA NA +PJ009000 GSPCDH C23H34N8O10S 614.2119 NA PeJP NA NA +MJ085973 Calycopterone C35H34O10 614.215197 NA MeJP NA NA +PJ009001 GSCYW C28H34N6O8S 614.2159 NA PeJP NA NA +PJ009002 GSSSDY C24H34N6O13 614.2184 NA PeJP NA NA +PJ009003 GNMMY C25H38N6O8S2 614.2193 NA PeJP NA NA +MJ085974 2,3,9-Trihydroxy-15-cadalenoic acid; 3,9-Di-O-?-D-glucopyranoside, Me ester C28H38O15 614.22107 NA MeJP NA NA +MJ085975 Asaolaside C28H38O15 614.22107 NA MeJP NA NA +PJ009004 CNNQH C22H34N10O9S 614.2231 NA PeJP NA NA +MJ085976 ?-[[1-Butyl-5-[2-[(2-carboxyphenyl)methoxy]-4-methoxyphenyl]-1H-pyrazol-4-yl]methylene]-6-methoxy-1,3-benzodioxole-5-propanoic acid C34H34N2O9 614.22643 NA MeJP NA NA +PJ009005 SNEEH C23H34N8O12 614.2296 NA PeJP NA NA +PJ009006 GGSEEH C23H34N8O12 614.2297 NA PeJP NA NA +PJ009007 ACCRY C24H38N8O7S2 614.2305 NA PeJP NA NA +PJ009008 GNDFY C28H34N6O10 614.2337 NA PeJP NA NA +MJ085977 Buddlenol E; 5''-Methoxy C32H38O12 614.236326 NA MeJP NA NA +MJ085978 Buddlenol E; 5'-Methoxy C32H38O12 614.236326 NA MeJP NA NA +MJ085979 Luminamicin C32H38O12 614.236326 NA MeJP NA NA +PJ009009 SSQMY C25H38N6O10S 614.237 NA PeJP NA NA +MJ085980 Protochlorophyllide C35H34MgN4O5 614.237962 NA MeJP NA NA +MetaCyc03982 chlorophyllide [chlorophyllide a;] C35H34N4O5MG1 614.237962 14897-06-4 metacyc NA NA +MetaCyc03983 131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester [131-hydroxy-Mg-protoporphyrin IX 13-monomethyl ester;] C35H34N4O5MG1 614.237962 NA metacyc NA NA +MetaCyc03984 chlorophyllide a [chlorophyllide a;] C35H34N4O5MG1 614.237962 NA metacyc NA NA +C02139 Chlorophyllide C35H34MgN4O5 614.238 NA KEGG NA NA +C11829 13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester C35H34MgN4O5 614.238 NA KEGG NA NA +PJ009010 GSSNNH C22H34N10O11 614.2409 NA PeJP NA NA +PJ009011 PCCHR C23H38N10O6S2 614.2417 NA PeJP NA NA +PJ009012 GSEHW C27H34N8O9 614.2449 NA PeJP NA NA +PJ009013 SSCRY C24H38N8O9S 614.2483 NA PeJP NA NA +MJ085981 Antibiotic X 1008 C29H38N6O7S 614.252268 NA MeJP NA NA +PJ009014 GNMFF C29H38N6O7S 614.2523 NA PeJP NA NA +PJ009015 GSSTTY C25H38N6O12 614.2548 NA PeJP NA NA +PJ009016 ACKMY C26H42N6O7S2 614.2557 NA PeJP NA NA +PJ009017 GDMHR C23H38N10O8S 614.2595 NA PeJP NA NA +PJ009018 SHWW C31H34N8O6 614.2601 NA PeJP NA NA +PJ009019 AAMHW C28H38N8O6S 614.2635 NA PeJP NA NA +PJ009020 SDKEH C24H38N8O11 614.266 NA PeJP NA NA +PJ009021 GGGGGPVD C24H38N8O11 614.2661 NA PeJP NA NA +PJ009022 PCKMH C25H42N8O6S2 614.2669 NA PeJP NA NA +PJ009023 GQHHH C25H34N12O7 614.2674 NA PeJP NA NA +PJ009024 SPPEW C29H38N6O9 614.27 NA PeJP NA NA +PJ009025 PPTDW C29H38N6O9 614.2701 NA PeJP NA NA +MJ085982 11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 10-Benzoyl, 2,7,9-tri-Ac C33H42O11 614.272712 NA MeJP NA NA +MJ085983 11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 9-Benzoyl, 2,7,13-tri-Ac C33H42O11 614.272712 NA MeJP NA NA +MJ085984 3,5,7,8,14,15-Hexahydroxy-6(17),11-jatrophadien-9-one, 3-Benzoyl, 5,7,14-tri-Ac C33H42O11 614.272712 NA MeJP NA NA +MJ085985 3,5,7,8,14,15-Hexahydroxy-6(17),11-jatrophadien-9-one, 3-Benzoyl, 5,7,8-tri-Ac C33H42O11 614.272712 NA MeJP NA NA +MJ085986 Detigloylswietenine; 8?,30?-Epoxide, 3-(2-methylpropanoyl), 6-Ac C33H42O11 614.272712 NA MeJP NA NA +MJ085987 Rohituka 13 C33H42O11 614.272712 NA MeJP NA NA +PJ009026 SSKMY C26H42N6O9S 614.2734 NA PeJP NA NA +PJ009027 SSEHR C23H38N10O10 614.2773 NA PeJP NA NA +PJ009028 ATTHW C28H38N8O8 614.2813 NA PeJP NA NA +PJ009029 SLQMH C25H42N8O8S 614.2846 NA PeJP NA NA +PJ009030 PPDMR C25H42N8O8S 614.2847 NA PeJP NA NA +7720 NA EPAWSNLGIWG 614.28695 MH2+ Inhouse_peptide NA peptide +PJ009031 PPCLW C30H42N6O6S 614.2887 NA PeJP NA NA +PJ009032 PLQEE C26H42N6O11 614.2912 NA PeJP NA NA +MJ085988 Petuniasterone R C34H46O8S 614.291339 NA MeJP NA NA +PJ009033 PPQHH C27H38N10O7 614.2925 NA PeJP NA NA +MJ085989 Nigakihemiacetal A; 16-O-?-D-Glycopyranoside(16?-), 11-Ac C30H46O13 614.293841 NA MeJP NA NA +MJ085990 Antibiotic 15G256? C31H42N4O9 614.295178 NA MeJP NA NA +PJ009034 ATMHR C24H42N10O7S 614.2959 NA PeJP NA NA +PJ009035 PVDER C25H42N8O10 614.3024 NA PeJP NA NA +PJ009036 GKHHH C26H38N12O6 614.3038 NA PeJP NA NA +PJ009037 APLEW C30H42N6O8 614.3064 NA PeJP NA NA +MJ085991 Oscillaginin A C29H47ClN4O8 614.308242 NA MeJP NA NA +MJ085992 Ingol; 7,8-Ditigloyl, 3,12-di-Ac C34H46O10 614.309097 NA MeJP NA NA +MJ085993 Wikstroelide H C34H46O10 614.309097 NA MeJP NA NA +PJ009038 GPPTLM C27H46N6O8S 614.3098 NA PeJP NA NA +HMDB02160 Harderoporphyrinogen C35H42N4O6 614.31042 http://www.hmdb.ca/metabolites/HMDB02160 HMDB NA NA +HMDB02160 Harderoporphyrinogen C35H42N4O6 614.31042 HMDB02160 PFEM_hmdb_metabocards_official NA NA +HMDB02160 Harderoporphyrinogen C35H42N4O6 614.310425 NA HMDB2010 NA NA +MJ085994 4-[[2-[[3-(1H-Indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid C35H42N4O6 614.310435 NA MeJP NA NA +MJ085995 Neomycin B C23H46N6O13 614.312285 NA MeJP NA NA +MJ085996 Neomycin C C23H46N6O13 614.312285 NA MeJP NA NA +C01737 Neomycin B C23H46N6O13 614.3123 NA KEGG NA NA +C15652 Neomycin C C23H46N6O13 614.3123 NA KEGG NA NA +C15653 Peptide-L-methionine (R)-S-oxide C6H10N2O3SR2 614.3123 NA KEGG NA NA +PJ009039 TTTHR C24H42N10O9 614.3136 NA PeJP NA NA +PJ009040 GGPTQR C24H42N10O9 614.3137 NA PeJP NA NA +PJ009041 GPQKW C29H42N8O7 614.3177 NA PeJP NA NA +MJ085997 4-[4-[5-[2-[Bis(phenylmethyl)amino]-2-oxoethyl]-2-heptyl-4-oxo-3-thiazolidinyl]butyl]benzoic acid C37H46N2O4S 614.317828 NA MeJP NA NA +3587 NA WWPK~ 614.32 ACE inhibitor Inhouse_peptide NA peptide +MJ085998 Delectinine; O18-(2-Acetamidobenzoyl) C33H46N2O9 614.320331 NA MeJP NA NA +MJ085999 Delectinine; O18-(2-Aminobenzoyl), O14-Ac C33H46N2O9 614.320331 NA MeJP NA NA +MJ086000 Viridiofungin C C33H46N2O9 614.320331 NA MeJP NA NA +PJ009042 SLKMH C26H46N8O7S 614.321 NA PeJP NA NA +MJ086001 Gambogenin C38H46O7 614.324353 NA MeJP NA NA +PJ009043 PLKEE C27H46N6O10 614.3276 NA PeJP NA NA +PJ009044 GVHFR C28H42N10O6 614.3289 NA PeJP NA NA +MJ086002 Spermine; Bis(4-hydroxy-3,5-dimethoxycinnamoyl) C32H46N4O8 614.331564 NA MeJP NA NA +3593 heparin-binding peptide WQWRGKKLGA 614.334 MH2+ Inhouse_peptide NA peptide +3516 ACE inhibitor IRAQQ 614.338 ACE inhibitor Inhouse_peptide NA peptide +PJ009045 PTLER C26H46N8O9 614.3388 NA PeJP NA NA +PJ009046 HFRR C27H42N12O5 614.3401 NA PeJP NA NA +PJ009047 SPLLW C31H46N6O7 614.3428 NA PeJP NA NA +MJ086003 2,3,11,14,20,22,24-Heptahydroxyergost-7-en-6-one, 20,22-(4-Hydroxybenzylidene) acetal C35H50O9 614.345483 NA MeJP NA NA +MJ086004 Antibiotic VM 44866; 13?-Hydroxy, 5-Me ether C35H50O9 614.345483 NA MeJP NA NA +MJ086005 Milbemycin ?3; 26-(Propanoyloxy) C35H50O9 614.345483 NA MeJP NA NA +PJ009048 AAPLLM C28H50N6O7S 614.3462 NA PeJP NA NA +PJ009049 SPQKR C25H46N10O8 614.35 NA PeJP NA NA +PJ009050 GGGGVLR C25H46N10O8 614.3501 NA PeJP NA NA +MJ086006 Electrin 4 C30H46N8O6 614.354031 NA MeJP NA NA +PJ009051 GPKKW C30H46N8O6 614.3541 NA PeJP NA NA +PJ009052 PVLMR C27H50N8O6S 614.3574 NA PeJP NA NA +PJ009053 GVQRR C24H46N12O7 614.3613 NA PeJP NA NA +MJ086007 Aristoaristone C40H46N4O2 614.362076 NA MeJP NA NA +MJ086008 Bisaristone A C40H46N4O2 614.362076 NA MeJP NA NA +MJ086009 Insulopinine C40H46N4O2 614.362076 NA MeJP NA NA +MJ086010 Matopensine; 16-Ethoxy,16'-epimer C40H46N4O2 614.362076 NA MeJP NA NA +MJ086011 Pycnanthine; 14',15'-Dihydro C40H46N4O2 614.362076 NA MeJP NA NA +MJ086012 Pycnanthinine C40H46N4O2 614.362076 NA MeJP NA NA +MJ086013 Strychnobiline C40H46N4O2 614.362076 NA MeJP NA NA +C09246 Toxiferine I C40H46N4O2 614.3621 NA KEGG NA NA +PJ009054 LLLQE C28H50N6O9 614.3639 NA PeJP NA NA +PJ009055 GALLLE C28H50N6O9 614.364 NA PeJP NA NA +MJ086014 Adociasulfate 4 C36H54O6S 614.36411 NA MeJP NA NA +MJ086015 Adociasulfate 5 C36H54O6S 614.36411 NA MeJP NA NA +MJ086016 Adociasulfate 6 C36H54O6S 614.36411 NA MeJP NA NA +MJ086017 Toxicol B; 4'-Sulfate C36H54O6S 614.36411 NA MeJP NA NA +MJ086018 1,6,10,14-Phytatetraene-3,13-diol, 13-O[?-L-Fucopyranosyl(1?6)-?-D-glucopyranoside] C32H54O11 614.366612 NA MeJP NA NA +MJ086019 3,14-Clerodadiene-6,13-diol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C32H54O11 614.366612 NA MeJP NA NA +MJ086020 6,16,17-Kauranetriol, Glycoside C32H54O11 614.366612 NA MeJP NA NA +MJ086021 8(17),13-Labdadiene-3,15-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C32H54O11 614.366612 NA MeJP NA NA +MJ086022 8(17),14-Labdadiene-13,18-diol, 18-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C32H54O11 614.366612 NA MeJP NA NA +MJ086023 8(17),14-Labdadiene-3,13-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C32H54O11 614.366612 NA MeJP NA NA +PJ009056 QRRR C23H46N14O6 614.3725 NA PeJP NA NA +PJ009057 VVLER C27H50N8O8 614.3752 NA PeJP NA NA +PJ009058 ALLLW C32H50N6O6 614.3792 NA PeJP NA NA +MJ086024 12,16-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Acetoxypentanoyl), 16-Ac C36H54O8 614.381868 NA MeJP NA NA +MJ086025 Nemadectin ?2 C36H54O8 614.381868 NA MeJP NA NA +MJ086026 Synaptolepis factor K1 C36H54O8 614.381868 NA MeJP NA NA +C09192 Synaptolepis factor K1 C36H54O8 614.3819 NA KEGG NA NA +PJ009059 SPKKR C26H50N10O7 614.3864 NA PeJP NA NA +C11321 3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate C32H58N2O7S 614.3965 NA KEGG NA NA +MJ086027 2,2',3,3'-Tetrahydroxy-?,?-carotene-4,4'-dione; 4'-Deoxo C40H54O5 614.397124 NA MeJP NA NA +MJ086028 Amarouciaxanthin A C40H54O5 614.397124 NA MeJP NA NA +MJ086029 Gyroxanthin C40H54O5 614.397124 NA MeJP NA NA +MJ086030 Uriolide C40H54O5 614.397124 NA MeJP NA NA +PJ009060 GVKRR C25H50N12O6 614.3977 NA PeJP NA NA +PJ009061 LLLKE C29H54N6O8 614.4003 NA PeJP NA NA +MJ086031 Antibiotic X 14889C C33H58O10 614.402998 NA MeJP NA NA +MJ086032 Cholestane-3,4,6,8,15,24-hexol, 3-O-(2-O-Methyl-?-D-xylopyranoside) C33H58O10 614.402998 NA MeJP NA NA +MJ086033 Cholestane-3,4,6,8,15,24-hexol, 24-O-(3-O-Methyl-?-D-xylopyranoside) C33H58O10 614.402998 NA MeJP NA NA +MJ086034 Cholestane-3,6,8,15,16,26-hexol, 3-O-(2-O-Methyl-?-D-xylopyranoside) C33H58O10 614.402998 NA MeJP NA NA +PJ009062 KRRR C24H50N14O5 614.4089 NA PeJP NA NA +PJ009063 TLLLR C28H54N8O7 614.4116 NA PeJP NA NA +MJ086035 12-Oleanene-3,16,21,22,28-pentol, 21-(Methylbutenoyl), 22-Ac C37H58O7 614.418254 NA MeJP NA NA +MJ086036 12-Oleanene-3,16,21,22,28-pentol, 21-Tigloyl, 22-Ac C37H58O7 614.418254 NA MeJP NA NA +MJ086037 12-Oleanene-3,16,21,22,28-pentol, 21-Tigloyl, 28-Ac C37H58O7 614.418254 NA MeJP NA NA +MJ086038 Lanost-8,24-diene-3,21-diol; 3?-form, 21-Carboxylic acid, 3-O-(3-hydroxy-4-methoxycarbonyl-3-methylbutanoyl) C37H58O7 614.418254 NA MeJP NA NA +PJ009064 ALKKR C27H54N10O6 614.4228 NA PeJP NA NA +MetaCyc03985 capsorubin [] C41H58O4 614.43351 NA metacyc NA NA +MJ086039 Antibiotic X 14873A; Decarboxy C34H62O9 614.439383 NA MeJP NA NA +PJ009065 VLKKK C29H58N8O6 614.448 NA PeJP NA NA +MJ086040 3,3',4,4'-Tetrahydrospirilloxanthin-20-al C42H62O3 614.469895 NA MeJP NA NA +MJ086041 Methoxyspheroidene; 2'-Ketone C42H62O3 614.469895 NA MeJP NA NA +MJ086042 Donhexocin C35H66O8 614.475769 NA MeJP NA NA +MJ086043 Gardnerilin A C35H66O8 614.475769 NA MeJP NA NA +HMDB07032 DG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07033 DG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07060 DG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07114 DG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07141 DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07142 DG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07193 DG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07222 DG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07249 DG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07250 DG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07277 DG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07306 DG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07333 DG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07334 DG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07505 DG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07534 DG(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07562 DG(20:5(5Z,8Z,11Z,14Z,17Z)/16:0/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07676 DG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07704 DG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB07733 DG(22:5(7Z,10Z,13Z,16Z,19Z)/14:0/0:0) C39H66O5 614.491028 NA HMDB2010 NA NA +HMDB05225 DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] C39H66O5 614.49103 http://www.hmdb.ca/metabolites/HMDB05225 HMDB NA NA +HMDB05225 DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] C39H66O5 614.49103 HMDB05225 PFEM_hmdb_metabocards_official NA NA +MJ086044 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Triacontyl ester C40H70O4 614.52741 NA MeJP NA NA +MJ086045 3-(4-Hydroxyphenyl)-1-propanol; 1-Dotriacontanoyl C41H74O3 614.563796 NA MeJP NA NA +MJ086046 2-Propylthio-?,?-difluoromethylene ATP C14H22F2N5O12P3S 615.016657 NA MeJP NA NA +MJ086047 Lysolipin X C29H26ClNO12 615.114353 NA MeJP NA NA +PJ009066 GCCCCQ C19H33N7O8S4 615.1274 NA PeJP NA NA +PJ009067 SSCCCN C19H33N7O10S3 615.1451 NA PeJP NA NA +PJ009068 CCEMM C21H37N5O8S4 615.1525 NA PeJP NA NA +MJ086048 Deacylconvolutamide; N-Octadecanoyl C28H43Br2NO4 615.155884 NA MeJP NA NA +PJ009069 GCCCCK C20H37N7O7S4 615.1638 NA PeJP NA NA +PJ009070 CCDEF C24H33N5O10S2 615.1669 NA PeJP NA NA +PJ009071 DDDDH C22H29N7O14 615.1773 NA PeJP NA NA +PJ009072 CCNNY C23H33N7O9S2 615.1781 NA PeJP NA NA +PJ009073 GGGGCCY C23H33N7O9S2 615.1782 NA PeJP NA NA +PJ009074 SCDEY C24H33N5O12S 615.1847 NA PeJP NA NA +PJ009075 PCCMY C25H37N5O7S3 615.1855 NA PeJP NA NA +MJ086049 5,16-Bis[(ethylthio)methyl]-2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid, Me ester C33H33N3O5S2 615.186162 NA MeJP NA NA +PJ009076 TCMMM C22H41N5O7S4 615.1889 NA PeJP NA NA +PJ009077 GDMMY C25H37N5O9S2 615.2033 NA PeJP NA NA +PJ009078 CNNEH C22H33N9O10S 615.2071 NA PeJP NA NA +PJ009079 GGGGCEH C22H33N9O10S 615.2072 NA PeJP NA NA +PJ009080 SDEEH C23H33N7O13 615.2137 NA PeJP NA NA +PJ009081 PCEMH C24H37N7O8S2 615.2145 NA PeJP NA NA +PJ009082 GDDFY C28H33N5O11 615.2177 NA PeJP NA NA +PJ009083 PCCFF C29H37N5O6S2 615.2185 NA PeJP NA NA +PJ009084 SSEMY C25H37N5O11S 615.221 NA PeJP NA NA +PJ009085 GMMMF C26H41N5O6S3 615.2219 NA PeJP NA NA +PJ009086 GCNHW C26H33N9O7S 615.2224 NA PeJP NA NA +PJ009087 GSSNDH C22H33N9O12 615.2249 NA PeJP NA NA +PJ009088 AEEMH C24H37N7O10S 615.2323 NA PeJP NA NA +PJ009089 APCYY C29H37N5O8S 615.2363 NA PeJP NA NA +PJ009090 ATMMY C26H41N5O8S2 615.2397 NA PeJP NA NA +PJ009091 SNQMH C23H37N9O9S 615.2435 NA PeJP NA NA +MJ086050 Saptomycin D C35H37NO9 615.246831 NA MeJP NA NA +PJ009092 PPCNW C28H37N7O7S 615.2475 NA PeJP NA NA +PJ009093 TTEEH C24H37N7O12 615.25 NA PeJP NA NA +PJ009094 GGPQEE C24H37N7O12 615.2501 NA PeJP NA NA +PJ009095 PTMMH C25H41N7O7S2 615.2509 NA PeJP NA NA +PJ009096 GEHHH C25H33N11O8 615.2514 NA PeJP NA NA +PJ009097 SSPYY C29H37N5O10 615.254 NA PeJP NA NA +PJ009098 AAEYY C29H37N5O10 615.2541 NA PeJP NA NA +PJ009099 SCNHR C22H37N11O8S 615.2547 NA PeJP NA NA +PJ009100 GGSCHR C22H37N11O8S 615.2548 NA PeJP NA NA +PJ009101 TTTMY C26H41N5O10S 615.2574 NA PeJP NA NA +MJ086051 Spermidine; N-(4-Hydroxycinnamoyl), N',N''-bis(3,4-dihydroxycinnamoyl) C34H37N3O8 615.258065 NA MeJP NA NA +PJ009102 PNDDR C23H37N9O11 615.2613 NA PeJP NA NA +PJ009103 GPQEW C28H37N7O9 615.2653 NA PeJP NA NA +PJ009104 HHHW C29H33N11O5 615.2666 NA PeJP NA NA +MJ086052 Merckonine C32H41NO11 615.267961 NA MeJP NA NA +PJ009105 SLEMH C25H41N7O9S 615.2687 NA PeJP NA NA +PJ009106 TFYW C33H37N5O7 615.2693 NA PeJP NA NA +PJ009107 GVMFY C30H41N5O7S 615.2727 NA PeJP NA NA +PJ009108 PLEEE C26H41N5O12 615.2752 NA PeJP NA NA +PJ009109 GQQHF C27H37N9O8 615.2765 NA PeJP NA NA +PJ009110 GGGAAHF C27H37N9O8 615.2766 NA PeJP NA NA +PJ009111 GSPPCR C24H41N9O8S 615.2799 NA PeJP NA NA +PJ009112 PQWW C32H37N7O6 615.2806 NA PeJP NA NA +PJ009113 MFRY C29H41N7O6S 615.2839 NA PeJP NA NA +PJ009114 PNKEE C25H41N7O11 615.2864 NA PeJP NA NA +PJ009115 VVMMH C26H45N7O6S2 615.2873 NA PeJP NA NA +PJ009116 SVHHH C26H37N11O7 615.2878 NA PeJP NA NA +MJ086053 Protocidin C29H45NO13 615.28909 NA MeJP NA NA +PJ009117 GTLYY C30H41N5O9 615.2904 NA PeJP NA NA +C00832 Paromomycin C23H45N5O14 615.2963 NA KEGG NA NA +C00833 Procollagen C23H45N5O14 615.2963 NA KEGG NA NA +C00834 Prothrombin C23H45N5O14 615.2963 NA KEGG NA NA +C17588 6'''-Deamino-6'''-hydroxyneomycin C C23H45N5O14 615.2963 NA KEGG NA NA +C17712 Paromomycin II C23H45N5O14 615.2963 NA KEGG NA NA +MJ086054 Inosamycin A C23H45N5O14 615.296301 NA MeJP NA NA +MJ086055 Inosamycin B C23H45N5O14 615.296301 NA MeJP NA NA +MJ086056 Neomycin B; 6'''-Deamino, 6'''-hydroxy C23H45N5O14 615.296301 NA MeJP NA NA +MJ086057 Neomycin C; 6'''-Deamino, 6'''-hydroxy C23H45N5O14 615.296301 NA MeJP NA NA +MJ086058 Paromomycin C23H45N5O14 615.296301 NA MeJP NA NA +PJ009118 SPQER C24H41N9O10 615.2977 NA PeJP NA NA +PJ009119 GPKEW C29H41N7O8 615.3017 NA PeJP NA NA +C08688 Hypaconitine C33H45NO10 615.3043 NA KEGG NA NA +MJ086059 4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O1,O6,O16,O18,N-Penta-Me, 14-benzoyl, 8-Ac C33H45NO10 615.304346 NA MeJP NA NA +MJ086060 Balfourine C33H45NO10 615.304346 NA MeJP NA NA +MJ086061 Pyroaconitine; 4'-Methoxy C33H45NO10 615.304346 NA MeJP NA NA +MJ086062 Secojesaconitine C33H45NO10 615.304346 NA MeJP NA NA +PJ009120 PLQQM C26H45N7O8S 615.305 NA PeJP NA NA +PJ009121 GSPPKM C26H45N7O8S 615.3051 NA PeJP NA NA +PJ009122 GVFFF C34H41N5O6 615.3057 NA PeJP NA NA +PJ009123 GQQQR C23H41N11O9 615.3089 NA PeJP NA NA +PJ009124 GPTRW C28H41N9O7 615.3129 NA PeJP NA NA +PJ009125 PVNMR C25H45N9O7S 615.3163 NA PeJP NA NA +PJ009126 PKWW C33H41N7O5 615.3169 NA PeJP NA NA +PJ009127 GNNRR C22H41N13O8 615.3201 NA PeJP NA NA +PJ009128 GGGGGRR C22H41N13O8 615.3202 NA PeJP NA NA +PJ009129 PDKKE C26H45N7O10 615.3228 NA PeJP NA NA +PJ009130 GPMRR C24H45N11O6S 615.3275 NA PeJP NA NA +PJ009131 SPKER C25H45N9O9 615.334 NA PeJP NA NA +PJ009132 GAALER C25H45N9O9 615.3341 NA PeJP NA NA +3320 NA HHPLL 615.336 celiac toxic Inhouse_peptide NA peptide +3772 peptide from soybean b-conglycinin (Glycine max) LLPHH 615.336 ACE inhibitor Inhouse_peptide NA peptide +PJ009133 SPVKW C30H45N7O7 615.3381 NA PeJP NA NA +MJ086063 Chasmanine; 14-O-(3,4-Dimethoxybenzoyl) C34H49NO9 615.340732 NA MeJP NA NA +PJ009134 PLQKM C27H49N7O7S 615.3414 NA PeJP NA NA +PJ009135 GAPLKM C27H49N7O7S 615.3415 NA PeJP NA NA +MJ086064 Hysodricanine A C35H45N5O5 615.342069 NA MeJP NA NA +PJ009136 GVERR C24H45N11O8 615.3453 NA PeJP NA NA +7070 b-Lg fragment (10-14) LDIQK 615.3469 antioxidative Inhouse_peptide NA peptide +PJ009137 LLLEE C28H49N5O10 615.348 NA PeJP NA NA +PJ009138 AALRW C29H45N9O6 615.3493 NA PeJP NA NA +PJ009139 PCLKR C26H49N9O6S 615.3527 NA PeJP NA NA +EUR792 Lyso PC 22:5 [M+FA-H]- C30H52NO7P 615.353022 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR792 Lyso PC 22:5 [M+FA-H]- C30H52NO7P 615.353022 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR792 Lyso PC 22:5 [M+FA-H]- C30H52NO7P 615.353022 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR792 Lyso PC 22:5 [M+FA-H]- C30H52NO7P 615.353022 masses lipides attendues Inhousejuil11 NA NA +EUR578 LysoPC(22:5) [M+FA-H]- 615.353025 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR578 LysoPC(22:5) [M+FA-H]- 615.353025 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR578 LysoPC(22:5) [M+FA-H]- 615.353025 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR578 LysoPC(22:5) [M+FA-H]- 615.353025 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR578 LysoPC(22:5) [M+FA-H]- 615.353025 identifiés dans sérum NuGO HMDB NA NA +EUR578 LysoPC(22:5) [M+FA-H]- 615.353025 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR578 LysoPC(22:5) [M+FA-H]- 615.353025 identifies dans serum NuGO Inhousejuil11 NA NA +EUR578 LysoPC(22:5) [M+FA-H]- 615.353025 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR578 LysoPC(22:5) [M+FA-H]- 615.353025 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +PJ009140 ERRR C23H45N13O7 615.3565 NA PeJP NA NA +PJ009141 VLQKE C27H49N7O9 615.3592 NA PeJP NA NA +PJ009142 VRRW C28H45N11O5 615.3605 NA PeJP NA NA +MJ086065 Miamycin C31H53NO11 615.361861 NA MeJP NA NA +PJ009143 ALKER C26H49N9O8 615.3704 NA PeJP NA NA +PJ009144 GLLKW C31H49N7O6 615.3745 NA PeJP NA NA +PJ009145 PLKKM C28H53N7O6S 615.3778 NA PeJP NA NA +PJ009146 ATLRR C25H49N11O7 615.3817 NA PeJP NA NA +3060 laminin SIKVAV 615.383 celiac toxic Inhouse_peptide NA peptide +3651 NA SIKVAV 615.383 ACE inhibitor Inhouse_peptide NA peptide +PJ009147 VLKKE C28H53N7O8 615.3956 NA PeJP NA NA +PJ009148 SLLKR C27H53N9O7 615.4068 NA PeJP NA NA +PJ009149 GKKKR C26H53N11O6 615.4181 NA PeJP NA NA +FL5FACGA0031 Quercetin 3-(2''-galloylgalactoside) C28H24O16 616.10643 - knapsack NA NA +FL5FACGA0032 Quercetin 3-(6''-galloylgalactoside) C28H24O16 616.10643 53171-28-1 knapsack NA NA +FL5FACGL0055 Quercetin 3-(2''-galloylglucoside) C28H24O16 616.10643 69624-79-9 knapsack NA NA +FL5FACGL0056 Quercetin 3-(6''-galloylglucoside) C28H24O16 616.10643 56316-75-7 knapsack NA NA +FL5FACGS0053 Quercetin 4'-(6''-galloylglucoside) C28H24O16 616.10643 149998-41-4 knapsack NA NA +FL5FACGS0095 Quercetin 7-(6''-galloylglucoside);2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-[[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C28H24O16 616.10643 231289-25-1 knapsack NA NA +FL5FAGGS0013 Desmanthin 1 C28H24O16 616.10643 56939-52-7 knapsack NA NA +FL5FAGGS0014 Myricetin 3-(3''-galloylrhamnoside) C28H24O16 616.10643 143202-36-2 knapsack NA NA +FL5FAGGS0015 Myricetin 3-(4''-galloylrhamnoside) C28H24O16 616.10643 85541-03-3 knapsack NA NA +MJ086066 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?2)-?-L-rhamnopyranoside] C28H24O16 616.106434 NA MeJP NA NA +MJ086067 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?3)-?-L-rhamnopyranoside] C28H24O16 616.106434 NA MeJP NA NA +MJ086068 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?4)-?-L-rhamnopyranoside] C28H24O16 616.106434 NA MeJP NA NA +MJ086069 3,3',4',5,7-Pentahydroxyflavone; 4'-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C28H24O16 616.106434 NA MeJP NA NA +MJ086070 Hyperin; 2''-O-(3,4,5-Trihydroxybenzoyl) C28H24O16 616.106434 NA MeJP NA NA +MJ086071 Hyperin; 6''-O-(3,4,5-Trihydroxybenzoyl) C28H24O16 616.106434 NA MeJP NA NA +MJ086072 Isoquercitrin; 2''-O-(3,4,5-Trihydroxybenzoyl) C28H24O16 616.106434 NA MeJP NA NA +MJ086073 Isoquercitrin; 6''-O-(3,4,5-Trihydroxybenzoyl) C28H24O16 616.106434 NA MeJP NA NA +MJ086074 Quercimeritrin; 6''-O-(3,4,5-Trihydroxybenzoyl) C28H24O16 616.106434 NA MeJP NA NA +MJ086075 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3'-O-[3,4,5-Trihydroxybenzoyl-(?2)-?-D-galactopyranoside] C28H25O16(+) 616.106434 NA MeJP NA NA +PJ009150 GCCCCE C19H32N6O9S4 616.1114 NA PeJP NA NA +MJ086076 2-(2,3-Dihydro-2,5,9,10-tetrahydroxy-7-methoxy-2-methyl-1,4-dioxoanthracen-6-yl)-1,5,8-trihydroxy-3-methoxy-6-methyl-9,10-anthraquinone C32H24O13 616.12169 NA MeJP NA NA +MJ086077 6,7-Dihydro-1,1',5',6,8',9,10-heptahydroxy-3,3'-dimethoxy-6,6'-dimethyl-[2,2'-bianthracene]-5,8,9',10'-tetrone C32H24O13 616.12169 NA MeJP NA NA +PJ009151 CCCCW C23H32N6O6S4 616.1266 NA PeJP NA NA +PJ009152 SSCCCD C19H32N6O11S3 616.1291 NA PeJP NA NA +MJ086078 3,5-Di-O-caffeoylquinic acid; 4-O-Succinoyl C29H28O15 616.14282 NA MeJP NA NA +PJ009153 GTCCCM C20H36N6O8S4 616.1478 NA PeJP NA NA +MJ086079 Antibiotic PI 063 C29H32N2O9S2 616.154922 NA MeJP NA NA +MJ086080 Kelletinin II C33H28O12 616.158076 NA MeJP NA NA +PJ009154 CCNDY C23H32N6O10S2 616.1621 NA PeJP NA NA +PJ009155 GGCCDY C23H32N6O10S2 616.1622 NA PeJP NA NA +PJ009156 SSSCCM C20H36N6O10S3 616.1655 NA PeJP NA NA +MetaCyc03986 protoheme IX [heme;hemin;ferroprotoporphyrin;protoheme;heme b;hematin;haemin;] C34H32N4O4FE1 616.177298 14875-96-8 metacyc NA NA +C00032 Heme C34H32FeN4O4 616.1773 NA KEGG NA NA +HMDB03178 Heme C34H32FeN4O4 616.177307 NA HMDB2010 NA NA +HMDB03178 Heme C34H32FeN4O4 616.17731 http://www.hmdb.ca/metabolites/HMDB03178 HMDB NA NA +HMDB03178 Heme C34H32FeN4O4 616.17731 HMDB03178 PFEM_hmdb_metabocards_official NA NA +MJ086081 7-Hydroxy-2H-1-benzopyran-2-one; O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxycinnamoyl-(?2)]-?-D-glucopyranoside] C30H32O14 616.179205 NA MeJP NA NA +MJ086082 Loganic acid; 7-Epimer, 7-O-[3-[(3-hydroxybenzoyl)oxy]benzoyl] C30H32O14 616.179205 NA MeJP NA NA +MJ086083 Paeoniflorin; 4''-Hydroxy, 6'-(4-hydroxybenzoyl) C30H32O14 616.179205 NA MeJP NA NA +MJ086084 Plumieride; 13-O-(4-Hydroxycinnamoyl) C30H32O14 616.179205 NA MeJP NA NA +PJ009157 CCNMF C24H36N6O7S3 616.1808 NA PeJP NA NA +PJ009158 CNDEH C22H32N8O11S 616.1911 NA PeJP NA NA +PJ009159 GGCDEH C22H32N8O11S 616.1912 NA PeJP NA NA +MJ086085 6-Chloro-2,8,9,11,12,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 3?,4?-Epoxide, 2,9,12,14-tetra-Ac C28H37ClO13 616.192268 NA MeJP NA NA +MJ086086 3-(3,5-Dihydroxyphenyl)-5-[2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-2-(4-hydroxyphenyl)benzofuran, 3'''-O-?-D-Glucopyranoside C34H32O11 616.194461 NA MeJP NA NA +MJ086087 3-(3,5-Dihydroxyphenyl)-5-[2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-2-(4-hydroxyphenyl)benzofuran, 3''-O-?-D-Glucopyranoside C34H32O11 616.194461 NA MeJP NA NA +MJ086088 Pallidol; 3-O-?-D-Glucopyranoside C34H32O11 616.194461 NA MeJP NA NA +MJ086089 ?-[[1-Butyl-5-[2-[(2-carboxyphenyl)methoxy]-4-chlorophenyl]-1H-pyrazol-4-yl]methylene]-2,3-dihydro-5-methoxy-6-benzofuranpropanoic acid C34H33ClN2O7 616.197629 NA MeJP NA NA +MJ086090 Polyoxin A C23H32N6O14 616.197649 NA MeJP NA NA +PJ009160 SCNMY C24H36N6O9S2 616.1985 NA PeJP NA NA +MJ086091 Doliculide C27H41IN2O6 616.20093 NA MeJP NA NA +MJ086092 Isoquinocycline A; 1''-Ketone C33H32N2O10 616.205695 NA MeJP NA NA +PJ009161 GCDHW C26H32N8O8S 616.2064 NA PeJP NA NA +PJ009162 GSSDDH C22H32N8O13 616.2089 NA PeJP NA NA +MJ086093 Dimoracin C38H32O8 616.209718 NA MeJP NA NA +PJ009163 GPTCCH C23H36N8O8S2 616.2098 NA PeJP NA NA +PJ009164 GSSTCY C24H36N6O11S 616.2163 NA PeJP NA NA +MJ086094 Daphnine C37H32N2O7 616.220951 NA MeJP NA NA +PJ009165 SNEMH C23H36N8O10S 616.2275 NA PeJP NA NA +PJ009166 SCNFF C28H36N6O8S 616.2315 NA PeJP NA NA +PJ009167 PPCDW C28H36N6O8S 616.2316 NA PeJP NA NA +PJ009168 SSSSSY C24H36N6O13 616.234 NA PeJP NA NA +PJ009169 PNEEE C24H36N6O13 616.2341 NA PeJP NA NA +PJ009170 TCCKY C25H40N6O8S2 616.2349 NA PeJP NA NA +MJ086095 Laciniatoside VI C28H40O15 616.23672 NA MeJP NA NA +MJ086096 Loasafolioside C28H40O15 616.23672 NA MeJP NA NA +PJ009171 SCDHR C22H36N10O9S 616.2388 NA PeJP NA NA +PJ009172 GSMHW C27H36N8O7S 616.2428 NA PeJP NA NA +PJ009173 PDDDR C23H36N8O12 616.2453 NA PeJP NA NA +PJ009174 AQMMH C24H40N8O7S2 616.2462 NA PeJP NA NA +PJ009175 GPEEW C28H36N6O10 616.2493 NA PeJP NA NA +MJ086097 1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 9-Cinnamoyl, 1-(acetoxyacetyl), 2,6-di-Ac C32H40O12 616.251976 NA MeJP NA NA +MJ086098 Azadirachtanin; 14?,15?-Epoxide C32H40O12 616.251976 NA MeJP NA NA +MJ086099 Javanicin D C32H40O12 616.251976 NA MeJP NA NA +MJ086100 Nomilinic acid; Lactone, 7-deoxo, 7?,11?-diacetoxy C32H40O12 616.251976 NA MeJP NA NA +MJ086101 Tyledoside C C32H40O12 616.251976 NA MeJP NA NA +PJ009176 GSPPEM C25H40N6O10S 616.2527 NA PeJP NA NA +MJ086102 Ascomycete A9738 Cyclopeptide C33H36N4O8 616.253314 NA MeJP NA NA +C18152 3-Vinylbacteriochlorophyllide a C35H36MgN4O5 616.2536 NA KEGG NA NA +MJ086103 Chlorophyllide C35H36MgN4O5 616.253612 NA MeJP NA NA +PJ009177 NNNQQ C22H36N10O11 616.2565 NA PeJP NA NA +PJ009178 GGGGGGAAN C22H36N10O11 616.2566 NA PeJP NA NA +MJ086104 Urabaine; 3,3'-Dimethoxy C38H36N2O6 616.257336 NA MeJP NA NA +PJ009179 ACMHR C23H40N10O6S2 616.2574 NA PeJP NA NA +PJ009180 SSTHW C27H36N8O9 616.2605 NA PeJP NA NA +PJ009181 GGSPNW C27H36N8O9 616.2606 NA PeJP NA NA +PJ009182 SDKMH C24H40N8O9S 616.2639 NA PeJP NA NA +PJ009183 PEWW C32H36N6O7 616.2646 NA PeJP NA NA +PJ009184 SPPMW C29H40N6O7S 616.2679 NA PeJP NA NA +PJ009185 GPPPCF C29H40N6O7S 616.268 NA PeJP NA NA +PJ009186 SSPPTE C25H40N6O12 616.2704 NA PeJP NA NA +PJ009187 PDKEE C25H40N6O12 616.2705 NA PeJP NA NA +PJ009188 AAPPMM C26H44N6O7S2 616.2713 NA PeJP NA NA +MJ086105 Cycloartane-3,23,28-triol, 24,25-Didehydro, 23-ketone, 3,28-disulfate C30H48O9S2 616.273974 NA MeJP NA NA +PJ009189 SSMHR C23H40N10O8S 616.2751 NA PeJP NA NA +PJ009190 GGPCQR C23H40N10O8S 616.2752 NA PeJP NA NA +PJ009191 QHFW C31H36N8O6 616.2758 NA PeJP NA NA +MJ086106 Vincamajine; 10-Methoxy, O-(3,4,5-trimethoxycinnamoyl) C35H40N2O8 616.278466 NA MeJP NA NA +MJ086107 Inosamycin C C23H44N4O15 616.280316 NA MeJP NA NA +MJ086108 Inosamycin D C23H44N4O15 616.280316 NA MeJP NA NA +MJ086109 Paromomycin; 5'''-Epimer, 6'''-deamino, 6'''-hydroxy C23H44N4O15 616.280316 NA MeJP NA NA +MJ086110 Paromomycin; 6'''-Deamino, 6'''-hydroxy C23H44N4O15 616.280316 NA MeJP NA NA +PJ009192 SPEER C24H40N8O11 616.2817 NA PeJP NA NA +PJ009193 AKMMH C25H44N8O6S2 616.2825 NA PeJP NA NA +PJ009194 SPVEW C29H40N6O9 616.2857 NA PeJP NA NA +MJ086111 5,6;12,15-Diepoxy-3,7,9,11,14-jatrophanepentol, 3-Benzoyl, 7,9,11-tri-Ac C33H44O11 616.288362 NA MeJP NA NA +MJ086112 Amoorastatone; 12?-Hydroxy, 29-(2-methylbutanoyl) C33H44O11 616.288362 NA MeJP NA NA +MJ086113 Antibiotic YM 47524 C33H44O11 616.288362 NA MeJP NA NA +MJ086114 Azadirachtanin; 14?,15?-Epoxide, 12,29-di-de-Ac, 29-(2-methylbutanoyl) C33H44O11 616.288362 NA MeJP NA NA +MJ086115 Azecin 4 C33H44O11 616.288362 NA MeJP NA NA +MJ086116 Trichilin B; 12-Deoxy, 2-O-de-Ac C33H44O11 616.288362 NA MeJP NA NA +MJ086117 Trichilin B; 12-Deoxy, 3-O-de-Ac C33H44O11 616.288362 NA MeJP NA NA +PJ009195 PLQEM C26H44N6O9S 616.2891 NA PeJP NA NA +PJ009196 GQQER C23H40N10O10 616.2929 NA PeJP NA NA +PJ009197 GVQQW C28H40N8O8 616.2969 NA PeJP NA NA +MJ086118 Potanisine C; 18-O-(2-Aminobenzoyl) C32H44N2O10 616.299595 NA MeJP NA NA +MJ086119 Ranaconine; 10?-Hydroxy, O4-(2-acetamidobenzoyl) C32H44N2O10 616.299595 NA MeJP NA NA +PJ009198 PVDMR C25H44N8O8S 616.3003 NA PeJP NA NA +PJ009199 APPFW C33H40N6O6 616.301 NA PeJP NA NA +MJ086120 12-Hydroxyvilasinin; 1-Cinnamoyl, 12-Ac C37H44O8 616.303618 NA MeJP NA NA +MJ086121 12-Hydroxyvilasinin; 12-Cinnamoyl, 1-Ac C37H44O8 616.303618 NA MeJP NA NA +MJ086122 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl, 20-benzoyl C37H44O8 616.303618 NA MeJP NA NA +PJ009200 GNDRR C22H40N12O9 616.3042 NA PeJP NA NA +PJ009201 APLMW C30H44N6O6S 616.3043 NA PeJP NA NA +MJ086123 Caracurine V; Nb,Nb'-Dioxide C38H40N4O4 616.304955 NA MeJP NA NA +PJ009202 VLQEE C26H44N6O11 616.3068 NA PeJP NA NA +MJ086124 Petuniasterone A; 17?-Hydroxy, 7-Ac C34H48O8S 616.306989 NA MeJP NA NA +MJ086125 Petuniasterone P1; 24-Deacetyl, 24-(methylthiocarbonyl)acetyl C34H48O8S 616.306989 NA MeJP NA NA +MJ086126 Petuniasterone P1; 24-Deacetyl, 25-(methylthiocarbonyl)acetyl C34H48O8S 616.306989 NA MeJP NA NA +MJ086127 Petuniasterone Q C34H48O8S 616.306989 NA MeJP NA NA +PJ009203 QQRW C27H40N10O7 616.3082 NA PeJP NA NA +PJ009204 PCNKR C24H44N10O7S 616.3115 NA PeJP NA NA +PJ009205 GGPCKR C24H44N10O7S 616.3116 NA PeJP NA NA +PJ009206 KHFW C32H40N8O5 616.3122 NA PeJP NA NA +PJ009207 ALEER C25H44N8O10 616.3181 NA PeJP NA NA +PJ009208 APHHR C26H40N12O6 616.3194 NA PeJP NA NA +PJ009209 GLLEW C30H44N6O8 616.3221 NA PeJP NA NA +MJ086128 1,3,7,11,12-Pentahydroxy-14-meliacen-28-oic acid, 12-(2-Methylbutanoyl), 1-Ac, Me ester C34H48O10 616.324747 NA MeJP NA NA +MJ086129 14,20-Epoxy-3-hydroxy-1-oxowitha-5,24-dienolide, 3-O-?-D-Glucopyranoside C34H48O10 616.324747 NA MeJP NA NA +MJ086130 7,27-Dihydroxy-1-oxowitha-2,5,24-trienolide, 27-O-?-D-Glucopyranoside C34H48O10 616.324747 NA MeJP NA NA +MJ086131 Daturametelin C; O27-De-Me, 27-O-?-D-glucopyranoside C34H48O10 616.324747 NA MeJP NA NA +MJ086132 Daturametelin D; O27-De-Me, 27-O-?-D-glucopyranoside C34H48O10 616.324747 NA MeJP NA NA +MJ086133 Sordaricin; O-[2-Methyl-2Z,4E-hexadienoyl-(?3)-4-O-methyl-?-D-altropyranoside] C34H48O10 616.324747 NA MeJP NA NA +PJ009210 PLKEM C27H48N6O8S 616.3255 NA PeJP NA NA +MJ086134 Chondramide A; Demethoxy C35H44N4O6 616.326085 NA MeJP NA NA +PJ009211 GQKER C24H44N10O9 616.3293 NA PeJP NA NA +MJ086135 Benzoquinonium(2+); Dichloride C34H50Cl2N4O2 616.331082 NA MeJP NA NA +PJ009212 GVQKW C29H44N8O7 616.3333 NA PeJP NA NA +PJ009213 PTLMR C26H48N8O7S 616.3367 NA PeJP NA NA +PJ009214 LLWW C34H44N6O5 616.3373 NA PeJP NA NA +MJ086136 N-(Cyclohexylcarbonyl)glycyl-L-alanyl-D-tryptophyl-N,N-dimethyl-L-phenylalaninamide C34H44N6O5 616.337318 NA MeJP NA NA +PJ009215 GTQRR C23H44N12O8 616.3405 NA PeJP NA NA +MJ086137 Vobparicine; N4-Oxide C39H44N4O3 616.341341 NA MeJP NA NA +PJ009216 VLKEE C27H48N6O10 616.3432 NA PeJP NA NA +PJ009217 QKRW C28H44N10O6 616.3446 NA PeJP NA NA +MJ086138 8(17),13-Labdadiene-3,15,18-triol, 15-O-[?-L-Arabinofuranosyl(1?6)-?-D-glucopyranoside] C31H52O12 616.345877 NA MeJP NA NA +MJ086139 Antibiotic SF 1540A C34H50NO9 616.348557 NA MeJP NA NA +PJ009218 SLLER C26H48N8O9 616.3544 NA PeJP NA NA +PJ009219 VTLER C26H48N8O9 616.3545 NA PeJP NA NA +PJ009220 SVLLW C31H48N6O7 616.3585 NA PeJP NA NA +C11972 Avermectin A2a aglycone C35H52O9 616.3611 NA KEGG NA NA +MJ086140 20,24-Epoxy-3,16-dihydroxycucurbita-5,23-diene-11,22-dione, 3-O-?-D-Xylopyranoside C35H52O9 616.361133 NA MeJP NA NA +MJ086141 24,25-Epoxy-3,11-dihydroxycycloart-7-ene-16,23-dione, 3-O-?-D-Xylopyranoside C35H52O9 616.361133 NA MeJP NA NA +MJ086142 24,25-Epoxy-3,11-dihydroxycycloart-7-ene-16,23-dione, 3-O-?-L-Arabinopyranoside C35H52O9 616.361133 NA MeJP NA NA +MJ086143 3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-?-D-Glucuronopyranoside C35H52O9 616.361133 NA MeJP NA NA +MJ086144 Amphidinolide F C35H52O9 616.361133 NA MeJP NA NA +MJ086145 Milbemycin IV; 6,23?,27-Trihydroxy, O5-Me C35H52O9 616.361133 NA MeJP NA NA +MJ086146 Pfaffic acid; 28-O-?-D-Glucuronopyranosyl ester C35H52O9 616.361133 NA MeJP NA NA +MJ086147 Pfaffic acid; 3-O-?-D-Glucuronopyranoside C35H52O9 616.361133 NA MeJP NA NA +MJ086148 Resiniferonol; 5?-Hydroxy, 6?,7?-epoxide, 14-(2E,4E-pentadecadienoyl) C35H52O9 616.361133 NA MeJP NA NA +PJ009221 LLLQM C28H52N6O7S 616.3618 NA PeJP NA NA +PJ009222 GALLLM C28H52N6O7S 616.3619 NA PeJP NA NA +PJ009223 GKKER C25H48N10O8 616.3657 NA PeJP NA NA +MJ086149 Glycylalanylprolylmethionylphenylalanylvalinamide; 4-L-Lysine analogue C30H48N8O6 616.369681 NA MeJP NA NA +PJ009224 GVKKW C30H48N8O6 616.3697 NA PeJP NA NA +PJ009225 VVLMR C27H52N8O6S 616.3731 NA PeJP NA NA +MJ086150 2,3-Dihydroxy-12,20(30)-ursadien-28-oic acid, 3-O-(3-Hydroxycinnamoyl)(Z-) C39H52O6 616.376389 NA MeJP NA NA +PJ009226 GTKRR C24H48N12O7 616.3769 NA PeJP NA NA +C09085 Calebassone C40H48N4O2 616.3777 NA KEGG NA NA +C09242 Tabernamine C40H48N4O2 616.3777 NA KEGG NA NA +MJ086151 Capuvosidine C40H48N4O2 616.377726 NA MeJP NA NA +MJ086152 Guillauminiine C40H48N4O2 616.377726 NA MeJP NA NA +MJ086153 Kopsoffinol; Deoxy C40H48N4O2 616.377726 NA MeJP NA NA +MJ086154 Paucivenine C40H48N4O2 616.377726 NA MeJP NA NA +MJ086155 Pleiomutine; N-De-Me C40H48N4O2 616.377726 NA MeJP NA NA +MJ086156 Tabernamine C40H48N4O2 616.377726 NA MeJP NA NA +PJ009227 GTTLLL C28H52N6O9 616.3796 NA PeJP NA NA +PJ009228 KKRW C29H48N10O5 616.3809 NA PeJP NA NA +MJ086157 Cholestane-3,4,6,8,15,16,26-heptol, 26-O-?-D-Xylopyranoside C32H56O11 616.382262 NA MeJP NA NA +PJ009229 VDKKK C27H52N8O8 616.3908 NA PeJP NA NA +PJ009230 PLLKF C32H52N6O6 616.3949 NA PeJP NA NA +C05151 12-O-Tetradecanoylphorbol 13-acetate C36H56O8 616.3975 NA KEGG NA NA +C05152 Salfredin C36H56O8 616.3975 NA KEGG NA NA +MJ086158 3-Hydroxy-9(11),12-oleanadien-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H56O8 616.397518 NA MeJP NA NA +MJ086159 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-Tetradecanoyl, 13-Ac C36H56O8 616.397518 NA MeJP NA NA +MJ086160 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Hexadecanoyl, 8-(2-methylbutanoyl) C36H56O8 616.397518 NA MeJP NA NA +PJ009231 LLLKM C29H56N6O6S 616.3982 NA PeJP NA NA +PJ009232 SVKKR C26H52N10O7 616.4021 NA PeJP NA NA +MJ086161 14-Hydroxy-8(17),12-labdadien-16,15-olide, 14-[15-Oxo-8(17),11,13-labdatrien-16-oyl] ester C40H56O5 616.412774 NA MeJP NA NA +MJ086162 Cryptomeria acetal B C40H56O5 616.412774 NA MeJP NA NA +MJ086163 Fucoxanthinol C40H56O5 616.412774 NA MeJP NA NA +MJ086164 Isofucoxanthinol C40H56O5 616.412774 NA MeJP NA NA +MJ086165 Siphonaxanthin; 6'-Hydroxy C40H56O5 616.412774 NA MeJP NA NA +MJ086166 Vaucheriaxanthin C40H56O5 616.412774 NA MeJP NA NA +MJ086167 Nonoxinol 9 C33H60O10 616.418648 NA MeJP NA NA +PJ009233 TLKKK C28H56N8O7 616.4272 NA PeJP NA NA +MJ086168 14-Serratene-3,21-diol, 21-Ac, 3-O-?-L-arabinopyranoside C37H60O7 616.433904 NA MeJP NA NA +MJ086169 Lanost-8,24-diene-3,21-diol; 3?-form, 3-Ac, 21-O-?-D-xylopyranoside C37H60O7 616.433904 NA MeJP NA NA +MJ086170 24-Methylenecycloartan-3-ol, 3-(4-Hydroxy-3-methoxycinnamoyl) C41H60O4 616.44916 NA MeJP NA NA +MJ086171 1(19),7,10,12-Xenecatetraene-6,14,17,18-tetrol, 17-Hexadecanoyl, 18-Ac C38H64O6 616.470289 NA MeJP NA NA +MJ086172 Bacchalatifolin C38H64O6 616.470289 NA MeJP NA NA +MJ086173 C19-Obtusilactone dimer C38H64O6 616.470289 NA MeJP NA NA +MJ086174 2,27-Diamino-26-hydroxy-11-octacosanone; O-?-D-Glucopyranoside C34H68N2O7 616.502652 NA MeJP NA NA +HMDB05208 DG(16:0/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] C39H68O5 616.50665 http://www.hmdb.ca/metabolites/HMDB05208 HMDB NA NA +HMDB05236 DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0) C39H68O5 616.50665 http://www.hmdb.ca/metabolites/HMDB05236 HMDB NA NA +HMDB05208 DG(16:0/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] C39H68O5 616.50665 HMDB05208 PFEM_hmdb_metabocards_official NA NA +HMDB05236 DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0) C39H68O5 616.50665 HMDB05236 PFEM_hmdb_metabocards_official NA NA +HMDB07031 DG(14:0/22:4(7Z,10Z,13Z,16Z)/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07112 DG(16:0/20:4(5Z,8Z,11Z,14Z)/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07113 DG(16:0/20:4(8Z,11Z,14Z,17Z)/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07139 DG(16:1(9Z)/20:3(5Z,8Z,11Z)/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07140 DG(16:1(9Z)/20:3(8Z,11Z,14Z)/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07164 DG(18:0/18:4(6Z,9Z,12Z,15Z)/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07191 DG(18:1(11Z)/18:3(6Z,9Z,12Z)/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07192 DG(18:1(11Z)/18:3(9Z,12Z,15Z)/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07220 DG(18:1(9Z)/18:3(6Z,9Z,12Z)/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07221 DG(18:1(9Z)/18:3(9Z,12Z,15Z)/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07248 DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07275 DG(18:3(6Z,9Z,12Z)/18:1(11Z)/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07276 DG(18:3(6Z,9Z,12Z)/18:1(9Z)/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07304 DG(18:3(9Z,12Z,15Z)/18:1(11Z)/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07305 DG(18:3(9Z,12Z,15Z)/18:1(9Z)/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07332 DG(18:4(6Z,9Z,12Z,15Z)/18:0/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07447 DG(20:3(5Z,8Z,11Z)/16:1(9Z)/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07476 DG(20:3(8Z,11Z,14Z)/16:1(9Z)/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07504 DG(20:4(5Z,8Z,11Z,14Z)/16:0/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07533 DG(20:4(8Z,11Z,14Z,17Z)/16:0/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +HMDB07675 DG(22:4(7Z,10Z,13Z,16Z)/14:0/0:0) C39H68O5 616.506653 NA HMDB2010 NA NA +MJ086175 Amiodarone; N-De-Et C23H25I2NO3 616.99238 NA MeJP NA NA +MJ086176 Trityrosine; 5-Bromo C27H28BrN3O9 617.100892 NA MeJP NA NA +FL7AAGGA0006 Delphinidin 3-(2''-galloylgalactoside) C28H25O16 617.11425 142609-11-8 knapsack NA NA +FL7AAGGS0006 Delphinidin 3'-O-(2''-O-galloyl-beta-galactopyranoside) C28H25O16 617.11425 740786-46-3 knapsack NA NA +PJ009234 CCDDY C23H31N5O11S2 617.1462 NA PeJP NA NA +PJ009235 CCMMM C21H39N5O6S5 617.1504 NA PeJP NA NA +PJ009236 CCDMF C24H35N5O8S3 617.1648 NA PeJP NA NA +PJ009237 CDDEH C22H31N7O12S 617.1752 NA PeJP NA NA +PJ009238 SCDMY C24H35N5O10S2 617.1825 NA PeJP NA NA +PJ009239 TCCEY C24H35N5O10S2 617.1826 NA PeJP NA NA +PJ009240 ACMMY C25H39N5O7S3 617.2012 NA PeJP NA NA +PJ009241 CNNMH C22H35N9O8S2 617.205 NA PeJP NA NA +PJ009242 SDEMH C23H35N7O11S 617.2115 NA PeJP NA NA +PJ009243 TDDMH C23H35N7O11S 617.2116 NA PeJP NA NA +PJ009244 PCMMH C24H39N7O6S3 617.2124 NA PeJP NA NA +PJ009245 GCEFY C28H35N5O9S 617.2156 NA PeJP NA NA +PJ009246 PDEEE C24H35N5O14 617.2181 NA PeJP NA NA +PJ009247 SSMMY C25H39N5O9S2 617.2189 NA PeJP NA NA +PJ009248 GSSCQH C22H35N9O10S 617.2228 NA PeJP NA NA +PJ009249 PCDHF C27H35N7O8S 617.2268 NA PeJP NA NA +PJ009250 GSPNDE C23H35N7O13 617.2293 NA PeJP NA NA +MJ086177 5,6-Didehydrocalotropin 3'-thiazolidinone, S-Oxide C31H39NO10S 617.229467 NA MeJP NA NA +MJ086178 Labriformine C31H39NO10S 617.229467 NA MeJP NA NA +MJ086179 Uscharin; 5'-Epimer, 3'-oxo, 5,6-didehydro, 3',4'-dihydro, S-oxide C31H39NO10S 617.229467 NA MeJP NA NA +C08871 Labriformin C31H39NO10S 617.2295 NA KEGG NA NA +PJ009251 AEMMH C24H39N7O8S2 617.2302 NA PeJP NA NA +PJ009252 CFYW C32H35N5O6S 617.2308 NA PeJP NA NA +PJ009253 GSEYY C28H35N5O11 617.2333 NA PeJP NA NA +PJ009254 ACMFF C29H39N5O6S2 617.2342 NA PeJP NA NA +PJ009255 SSSSNH C22H35N9O12 617.2405 NA PeJP NA NA +PJ009256 GGGGNQE C22H35N9O12 617.2406 NA PeJP NA NA +PJ009257 CCQKH C23H39N9O7S2 617.2414 NA PeJP NA NA +PJ009258 SPNDW C27H35N7O10 617.2446 NA PeJP NA NA +PJ009259 TTEMH C24H39N7O10S 617.2479 NA PeJP NA NA +PJ009260 SYYW C32H35N5O8 617.2486 NA PeJP NA NA +PJ009261 GMHHH C25H35N11O6S 617.2493 NA PeJP NA NA +PJ009262 AAMYY C29H39N5O8S 617.2519 NA PeJP NA NA +PJ009263 GCLYY C29H39N5O8S 617.252 NA PeJP NA NA +PJ009264 GNNQW C26H35N9O9 617.2558 NA PeJP NA NA +PJ009265 PCNER C23H39N9O9S 617.2592 NA PeJP NA NA +PJ009266 EHFW C31H35N7O7 617.2598 NA PeJP NA NA +PJ009267 GPQMW C28H39N7O7S 617.2632 NA PeJP NA NA +PJ009268 VNQEE C24H39N7O12 617.2657 NA PeJP NA NA +PJ009269 SLMMH C25H43N7O7S2 617.2666 NA PeJP NA NA +PJ009270 STHHH C25H35N11O8 617.267 NA PeJP NA NA +PJ009271 ATTYY C29H39N5O10 617.2697 NA PeJP NA NA +PJ009272 PLEEM C26H43N5O10S 617.2731 NA PeJP NA NA +PJ009273 GPCRW C27H39N9O6S 617.2744 NA PeJP NA NA +PJ009274 GQEER C23H39N9O11 617.2769 NA PeJP NA NA +PJ009275 GGGGGADK C23H39N9O11 617.277 NA PeJP NA NA +PJ009276 CCKKH C24H43N9O6S2 617.2778 NA PeJP NA NA +PJ009277 AVNEW C28H39N7O9 617.2809 NA PeJP NA NA +PJ009278 GVQEW C28H39N7O9 617.281 NA PeJP NA NA +MJ086180 1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1-(2S-methylbutanoyl), 2,6,14-tri-Ac C32H43NO11 617.283611 NA MeJP NA NA +MJ086181 4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18-Tetra-Me, 14-benzoyl, 8-Ac C32H43NO11 617.283611 NA MeJP NA NA +PJ009279 PNKEM C25H43N7O9S 617.2843 NA PeJP NA NA +PJ009280 AAFFY C33H39N5O7 617.285 NA PeJP NA NA +PJ009281 GDDRR C22H39N11O10 617.2882 NA PeJP NA NA +PJ009282 VLEEE C26H43N5O12 617.2908 NA PeJP NA NA +MJ086182 Penitrem A; 15-Deoxy C37H44ClNO5 617.290801 NA MeJP NA NA +PJ009283 LLDEE C26H43N5O12 617.2909 NA PeJP NA NA +PJ009284 QERW C27H39N9O8 617.2922 NA PeJP NA NA +PJ009285 SPQMR C24H43N9O8S 617.2955 NA PeJP NA NA +PJ009286 GGPTMR C24H43N9O8S 617.2956 NA PeJP NA NA +PJ009287 VQWW C32H39N7O6 617.2962 NA PeJP NA NA +MJ086183 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-(3-Pyridinecarbonyl), 20-cinnamoyl C36H43NO8 617.298867 NA MeJP NA NA +MJ086184 Pregn-5-ene-3,8,12,14,17,20-hexol, 20-(3-Pyridinecarbonyl), 12-cinnamoyl C36H43NO8 617.298867 NA MeJP NA NA +PJ009288 GPKMW C29H43N7O6S 617.2996 NA PeJP NA NA +PJ009289 VNKEE C25H43N7O11 617.3021 NA PeJP NA NA +3864 NA PKNYP 617.3039 neuropeptide Inhouse_peptide NA peptide +PJ009290 PPLEY C30H43N5O9 617.3061 NA PeJP NA NA +PJ009291 SPCRR C23H43N11O7S 617.3068 NA PeJP NA NA +PJ009292 ARWW C31H39N9O5 617.3074 NA PeJP NA NA +PJ009293 GKEER C24H43N9O10 617.3133 NA PeJP NA NA +PJ009294 GVKEW C29H43N7O8 617.3173 NA PeJP NA NA +PJ009295 GGGAPLF C29H43N7O8 617.3174 NA PeJP NA NA +MJ086185 4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O8, O16,O18-Penta-Me, N-Et, 14-benzoyl C33H47NO10 617.319996 NA MeJP NA NA +MJ086186 Yunaconitine; O-De-Ac C33H47NO10 617.319996 NA MeJP NA NA +PJ009296 PDKKM C26H47N7O8S 617.3207 NA PeJP NA NA +PJ009297 GTERR C23H43N11O9 617.3245 NA PeJP NA NA +PJ009298 GGSNKR C23H43N11O9 617.3246 NA PeJP NA NA +4009 LTD 1 EQLTK 617.325 haemolytic Inhouse_peptide NA peptide +PJ009299 KERW C28H43N9O7 617.3286 NA PeJP NA NA +PJ009300 SPKMR C25H47N9O7S 617.3319 NA PeJP NA NA +PJ009301 GAALMR C25H47N9O7S 617.332 NA PeJP NA NA +PJ009302 VKWW C33H43N7O5 617.3326 NA PeJP NA NA +MJ086187 Penitremone C; 23,24-Epoxide, 15-hydroxy C37H47NO7 617.335252 NA MeJP NA NA +MJ086188 Shearinine C C37H47NO7 617.335252 NA MeJP NA NA +PJ009303 VDKKE C26H47N7O10 617.3385 NA PeJP NA NA +PJ009304 TRRW C27H43N11O6 617.3398 NA PeJP NA NA +PJ009305 PLLEF C31H47N5O8 617.3425 NA PeJP NA NA +PJ009306 GVMRR C24H47N11O6S 617.3432 NA PeJP NA NA +3359 NA KVLAGM 617.3444 celiac toxic Inhouse_peptide NA peptide +PJ009307 LLLEM C28H51N5O8S 617.3459 NA PeJP NA NA +PJ009308 SVKER C25H47N9O9 617.3497 NA PeJP NA NA +PJ009309 ATLKW C30H47N7O7 617.3537 NA PeJP NA NA +PJ009310 MRRR C23H47N13O5S 617.3544 NA PeJP NA NA +PJ009311 VLQKM C27H51N7O7S 617.3571 NA PeJP NA NA +MJ086189 Lasiodine B C35H47N5O5 617.357719 NA MeJP NA NA +MJ086190 Lotusine C C35H47N5O5 617.357719 NA MeJP NA NA +MJ086191 Mauritine B C35H47N5O5 617.357719 NA MeJP NA NA +PJ009312 SSLRR C24H47N11O8 617.3609 NA PeJP NA NA +PJ009313 APKFR C29H47N9O6 617.365 NA PeJP NA NA +MJ086192 Libanomycin B C33H51N3O8 617.367615 NA MeJP NA NA +PJ009314 ALKMR C26H51N9O6S 617.3683 NA PeJP NA NA +EUR592 LysoPC(22:4) [M+FA-H]- 617.368625 identifies dans serum NuGO PFEM_hmdb_metabocards_urine NA urine +EUR592 LysoPC(22:4) [M+FA-H]- 617.368625 identifies dans serum NuGO BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR592 LysoPC(22:4) [M+FA-H]- 617.368625 identifies dans serum NuGO Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR592 LysoPC(22:4) [M+FA-H]- 617.368625 identifies dans serum NuGO banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR592 LysoPC(22:4) [M+FA-H]- 617.368625 identifiés dans sérum NuGO HMDB NA NA +EUR592 LysoPC(22:4) [M+FA-H]- 617.368625 identifies dans serum NuGO Inhouse_PFEM NA NA +EUR592 LysoPC(22:4) [M+FA-H]- 617.368625 identifies dans serum NuGO Inhousejuil11 NA NA +EUR592 LysoPC(22:4) [M+FA-H]- 617.368625 identifies dans serum NuGO PFEM_hmdb_metabocards_blood NA blood +EUR592 LysoPC(22:4) [M+FA-H]- 617.368625 identifies dans serum NuGO PFEM_hmdb_metabocards_official NA NA +EUR787 Lyso PC 22:4 [M+FA-H]- C30H54NO7P 617.368672 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR787 Lyso PC 22:4 [M+FA-H]- C30H54NO7P 617.368672 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR787 Lyso PC 22:4 [M+FA-H]- C30H54NO7P 617.368672 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR787 Lyso PC 22:4 [M+FA-H]- C30H54NO7P 617.368672 masses lipides attendues Inhousejuil11 NA NA +PJ009315 TLKKE C27H51N7O9 617.3748 NA PeJP NA NA +PJ009316 GSTLLK C27H51N7O9 617.3749 NA PeJP NA NA +PJ009317 PLLLY C32H51N5O7 617.3789 NA PeJP NA NA +PJ009318 TTLKR C26H51N9O8 617.3861 NA PeJP NA NA +PJ009319 PVKKF C31H51N7O6 617.3901 NA PeJP NA NA +MJ086193 16,28-Secosolanida-5,22(28)-diene-3,16-diol, 16-Ac, 3-O-?-D-glucopyranoside C35H55NO8 617.392767 NA MeJP NA NA +PJ009320 VLKKM C28H55N7O6S 617.3935 NA PeJP NA NA +PJ009321 LLLLF C33H55N5O6 617.4153 NA PeJP NA NA +PJ009322 SKKKK C27H55N9O7 617.4225 NA PeJP NA NA +MJ086194 Sulfobacin A; 4,5-Didehydro(E-) C34H67NO6S 617.468909 NA MeJP NA NA +HMDB10700 CerP(d18:1/16:0) C34H68NO6P 617.478455 NA HMDB2010 NA NA +8111 peptide derived from lecithin-free egg yolk LMSYMWSTSM 617.7451 MH2+ Inhouse_peptide NA peptide +C17166 Sceptrin C22H24Br2N10O2 618.045 NA KEGG NA NA +MJ086195 Ageliferin C22H24Br2N10O2 618.045045 NA MeJP NA NA +MJ086196 Sceptrin C22H24Br2N10O2 618.045045 NA MeJP NA NA +MJ086197 Ascoquinone A C30H18O15 618.064569 NA MeJP NA NA +MJ086198 3,4-Hexahydroxydiphenoyl-proto-quercitol; (S)axial-form, 5-O-(3,4,5-Trihydroxybenzoyl) C27H22O17 618.085699 NA MeJP NA NA +PJ009323 GCCCCM C19H34N6O7S5 618.1093 NA PeJP NA NA +MJ086199 Micacocidins; Fe complex C27H36FeN3O4S3 618.121735 NA MeJP NA NA +FL4DACGS0010 Taxillusin C28H26O16 618.12208 66656-93-7 knapsack NA NA +MJ086200 3,3',4',5,7-Pentahydroxyflavanone, 3-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C28H26O16 618.122084 NA MeJP NA NA +PJ009324 STCCCC C19H34N6O9S4 618.127 NA PeJP NA NA +MJ086201 Alterporriol B C32H26O13 618.13734 NA MeJP NA NA +MJ086202 Alterporriol C C32H26O13 618.13734 NA MeJP NA NA +MJ086203 5,7-Dihydroxy-4'-methoxy-8-hexosyl-6-pentosylflavone; Mono-Ac C29H30O15 618.15847 NA MeJP NA NA +PJ009325 CCCQY C23H34N6O8S3 618.16 NA PeJP NA NA +PJ009326 GACCCY C23H34N6O8S3 618.1601 NA PeJP NA NA +PJ009327 GPCCCH C22H34N8O7S3 618.1713 NA PeJP NA NA +MJ086204 Cercosporin; 2',2''-Di-Ac C33H30O12 618.173726 NA MeJP NA NA +PJ009328 GSSCCY C23H34N6O10S2 618.1778 NA PeJP NA NA +PJ009329 CNDMH C22H34N8O9S2 618.189 NA PeJP NA NA +PJ009330 GGCDMH C22H34N8O9S2 618.1891 NA PeJP NA NA +MJ086205 Heme C34H34FeN4O4 618.192947 NA MeJP NA NA +PJ009331 CCCKY C24H38N6O7S3 618.1964 NA PeJP NA NA +PJ009332 ACCHW C26H34N8O6S2 618.2043 NA PeJP NA NA +PJ009333 GSSCEH C22H34N8O11S 618.2068 NA PeJP NA NA +MJ086206 Torosaol I C34H34O11 618.210111 NA MeJP NA NA +PJ009334 GCNYY C27H34N6O9S 618.2108 NA PeJP NA NA +PJ009335 GSPDDE C23H34N6O14 618.2133 NA PeJP NA NA +PJ009336 GPPCDM C24H38N6O9S2 618.2142 NA PeJP NA NA +MJ086207 Isoquinocycline A C33H34N2O10 618.221345 NA MeJP NA NA +PJ009337 SSCHW C26H34N8O8S 618.2221 NA PeJP NA NA +PJ009338 SSSSDH C22H34N8O13 618.2246 NA PeJP NA NA +PJ009339 SNMMH C23H38N8O8S2 618.2254 NA PeJP NA NA +PJ009340 SPDDW C27H34N6O11 618.2286 NA PeJP NA NA +MJ086208 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1,9-Bis(3-furancarbonyl), 2-butanoyl, 14-Ac C31H38O13 618.231241 NA MeJP NA NA +MJ086209 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 9-O-[4-hydroxy-2-methylenebutanoyl-(?6)-?-D-glucopyranoside] C31H38O13 618.231241 NA MeJP NA NA +PJ009341 PNEEM C24H38N6O11S 618.232 NA PeJP NA NA +PJ009342 GSNNNN C21H34N10O12 618.2358 NA PeJP NA NA +MJ086210 Glycobismine B C37H34N2O7 618.236601 NA MeJP NA NA +MJ086211 Oxofangchirine C37H34N2O7 618.236601 NA MeJP NA NA +MJ086212 Simulanoquinoline C37H34N2O7 618.236601 NA MeJP NA NA +PJ009343 TCCHR C22H38N10O7S2 618.2367 NA PeJP NA NA +PJ009344 GNNEW C26H34N8O10 618.2398 NA PeJP NA NA +PJ009345 PCDER C23H38N8O10S 618.2432 NA PeJP NA NA +MJ086213 Capoamycin C35H38O10 618.246497 NA MeJP NA NA +MJ086214 Javanicin S; 2-Benzoyl C35H38O10 618.246497 NA MeJP NA NA +PJ009346 GPEMW C28H38N6O8S 618.2472 NA PeJP NA NA +PJ009347 VNEEE C24H38N6O13 618.2497 NA PeJP NA NA +PJ009348 GSPPMM C25H42N6O8S2 618.2506 NA PeJP NA NA +PJ009349 PNDHH C25H34N10O9 618.2511 NA PeJP NA NA +PJ009350 NNWW C30H34N8O7 618.2551 NA PeJP NA NA +PJ009351 GQMHF C27H38N8O7S 618.2584 NA PeJP NA NA +PJ009352 GGAMHF C27H38N8O7S 618.2585 NA PeJP NA NA +PJ009353 ADEER C23H38N8O12 618.2609 NA PeJP NA NA +PJ009354 GEEER C23H38N8O12 618.261 NA PeJP NA NA +PJ009355 TCKMH C24H42N8O7S2 618.2618 NA PeJP NA NA +PJ009356 PMWW C32H38N6O5S 618.2625 NA PeJP NA NA +PJ009357 GVEEW C28H38N6O10 618.265 NA PeJP NA NA +C08853 Bryotoxin A C32H42O12 618.2676 NA KEGG NA NA +MJ086215 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1-(2-methylpropanoyl), 2,6,14-tri-Ac C32H42O12 618.267626 NA MeJP NA NA +MJ086216 2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2,3,8-[Bis-(3-methyl-2-butenoyl), angeloyl], 10-Ac C32H42O12 618.267626 NA MeJP NA NA +MJ086217 2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2,3-Diangeloyl, 8-(3-methyl-2-butenoyl), 10-Ac C32H42O12 618.267626 NA MeJP NA NA +MJ086218 3,5,11,14-Tetrahydroxy-12,19-dioxobufa-20,22-dienolide, 3-O-(3-O-Acetyl-4,6-dideoxy-?-D-arabino-hexopyranoside) C32H42O12 618.267626 NA MeJP NA NA +MJ086219 5,14,16-Trihydroxy-19-oxobufa-3,20,22-trienolide, 5-O-?-D-Glucopyranoside, 16-Ac C32H42O12 618.267626 NA MeJP NA NA +MJ086220 Meliacarpinin; 11-Methoxy, 1-deoxy, 3-(2-methylpropenoyl) C32H42O12 618.267626 NA MeJP NA NA +MJ086221 Taccalonolide M C32H42O12 618.267626 NA MeJP NA NA +PJ009358 PDKEM C25H42N6O10S 618.2683 NA PeJP NA NA +C16542 APC C33H38N4O8 618.269 NA KEGG NA NA +PJ009359 GCHFR C26H38N10O6S 618.2697 NA PeJP NA NA +PJ009360 SNNER C22H38N10O11 618.2722 NA PeJP NA NA +PJ009361 EERW C27H38N8O9 618.2762 NA PeJP NA NA +MJ086222 Thyrsenol A C30H51BrO8 618.276731 NA MeJP NA NA +MJ086223 Nolpitantium(1+) C37H45Cl2N2O2(+) 618.277984 NA MeJP NA NA +PJ009362 SPEMR C24H42N8O9S 618.2796 NA PeJP NA NA +PJ009363 VEWW C32H38N6O7 618.2802 NA PeJP NA NA +PJ009364 SPVMW C29H42N6O7S 618.2836 NA PeJP NA NA +PJ009365 VDKEE C25H42N6O12 618.2861 NA PeJP NA NA +PJ009366 PLQMM C26H46N6O7S2 618.287 NA PeJP NA NA +PJ009367 GSNRW C26H38N10O8 618.2874 NA PeJP NA NA +MJ086224 Cycloartane-3,23,28-triol, 23-Ketone, 3,28-disulfate C30H50O9S2 618.289624 NA MeJP NA NA +PJ009368 GQQMR C23H42N10O8S 618.2908 NA PeJP NA NA +PJ009369 PPCFR C28H42N8O6S 618.2948 NA PeJP NA NA +PJ009370 SVEER C24H42N8O11 618.2973 NA PeJP NA NA +MJ086225 Spiranthesol C40H42O6 618.298139 NA MeJP NA NA +PJ009371 PCLMR C25H46N8O6S2 618.2982 NA PeJP NA NA +PJ009372 SVVEW C29H42N6O9 618.3013 NA PeJP NA NA +MJ086226 Amicetin C29H42N6O9 618.301326 NA MeJP NA NA +PJ009373 ATLEW C29H42N6O9 618.3014 NA PeJP NA NA +PJ009374 GCQRR C22H42N12O7S 618.302 NA PeJP NA NA +PJ009375 GGACRR C22H42N12O7S 618.3021 NA PeJP NA NA +MJ086227 Antibiotic YM 47524; 1'',2''-Dihydro C33H46O11 618.304012 NA MeJP NA NA +PJ009376 VLQEM C26H46N6O9S 618.3047 NA PeJP NA NA +PJ009377 SNDKR C23H42N10O10 618.3086 NA PeJP NA NA +PJ009378 GTQKW C28H42N8O8 618.3126 NA PeJP NA NA +PJ009379 VNQKM C25H46N8O8S 618.3159 NA PeJP NA NA +PJ009380 ALEMR C25H46N8O8S 618.316 NA PeJP NA NA +MJ086228 Cycloamanide A C33H42N6O6 618.316583 NA MeJP NA NA +PJ009381 GPLFW C33H42N6O6 618.3166 NA PeJP NA NA +PJ009382 SSNRR C22H42N12O9 618.3198 NA PeJP NA NA +PJ009383 GLLMW C30H46N6O6S 618.32 NA PeJP NA NA +PJ009384 TLKEE C26H46N6O11 618.3225 NA PeJP NA NA +MJ086229 Petuniasterone A; 1,2-Dihydro, 1-Acetoxy C34H50O8S 618.322639 NA MeJP NA NA +MJ086230 Petuniasterone B; 22-O-[(Methylthio)carbonyl]acetyl C34H50O8S 618.322639 NA MeJP NA NA +PJ009385 PLKMM C27H50N6O6S2 618.3233 NA PeJP NA NA +PJ009386 PTKHH C27H42N10O7 618.3238 NA PeJP NA NA +MJ086231 Dolastatin 18 C35H46N4O4S 618.323976 NA MeJP NA NA +C15657 BILA 2185BS C35H46N4O4S 618.324 NA KEGG NA NA +2934 myelopeptide LVCYPQ 618.325 celiac toxic Inhouse_peptide NA peptide +PJ009387 GQKMR C24H46N10O7S 618.3272 NA PeJP NA NA +MJ086232 Antibiotic 8510-I C25H46N8O10 618.333689 NA MeJP NA NA +MJ086233 Minosaminomycin C25H46N8O10 618.333689 NA MeJP NA NA +C17969 Minosaminomycin C25H46N8O10 618.3337 NA KEGG NA NA +PJ009388 TTLER C25H46N8O10 618.3337 NA PeJP NA NA +PJ009389 GLHHR C26H42N12O6 618.3351 NA PeJP NA NA +MJ086234 Bengamide Z; 6-O-(3R,4S,5R-Trihydroxy-2R-methoxy-8-methyl-6-nonenoyl) C29H50N2O12 618.336375 NA MeJP NA NA +PJ009390 STLLW C30H46N6O8 618.3377 NA PeJP NA NA +PJ009391 GCKRR C23H46N12O6S 618.3384 NA PeJP NA NA +PJ009392 VLKEM C27H50N6O8S 618.3411 NA PeJP NA NA +PJ009393 STQKR C24H46N10O9 618.3449 NA PeJP NA NA +PJ009394 GGTTKR C24H46N10O9 618.345 NA PeJP NA NA +MJ086235 Pandaca caducifolia Alkaloid G C40H46N2O4 618.345757 NA MeJP NA NA +PJ009395 GTKKW C29H46N8O7 618.349 NA PeJP NA NA +PJ009396 SLLMR C26H50N8O7S 618.3523 NA PeJP NA NA +PJ009397 GGVKKM C26H50N8O7S 618.3524 NA PeJP NA NA +MJ086236 Alphitexolide C38H50O7 618.355653 NA MeJP NA NA +MJ086237 Tabernamine; 3'-Hydroxy, N4-de-Me C39H46N4O3 618.356991 NA MeJP NA NA +PJ009398 SSSLLL C27H50N6O10 618.3589 NA PeJP NA NA +PJ009399 PPLHR C28H46N10O6 618.3602 NA PeJP NA NA +3523 ACE inhibitor LYPVK 618.361 ACE inhibitor Inhouse_peptide NA peptide +PJ009400 GKKMR C25H50N10O6S 618.3636 NA PeJP NA NA +PJ009401 SKKKE C26H50N8O9 618.3701 NA PeJP NA NA +MJ086238 Ficus Latex peptide 2 C31H50N6O7 618.374097 NA MeJP NA NA +PJ009402 PVLKY C31H50N6O7 618.3741 NA PeJP NA NA +MJ086239 16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 3-O-?-D-Xylopyranoside C35H54O9 618.376783 NA MeJP NA NA +MJ086240 16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 3-O-?-L-Arabinopyranoside C35H54O9 618.376783 NA MeJP NA NA +MJ086241 16,23:22,25-Diepoxycycloart-7-ene-3,23,24-triol, 3-O-?-D-Xylopyranoside C35H54O9 618.376783 NA MeJP NA NA +MJ086242 20,24-Epoxy-6,25-dihydroxycycloartane-3,16-dione, 6-O-?-D-Xylopyranoside C35H54O9 618.376783 NA MeJP NA NA +MJ086243 3,14,16-Trihydroxycard-20(22)-enolide, 16-O-(3-Methylbutanoyl), 3-O-[2,6-dideoxy-3-O-methyl-lyxo-hexopyranoside] C35H54O9 618.376783 NA MeJP NA NA +MJ086244 3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Xylopyranoside C35H54O9 618.376783 NA MeJP NA NA +MJ086245 Antibiotic PF 1032 C35H54O9 618.376783 NA MeJP NA NA +MJ086246 Cholest-5-ene-2,3,7,15,18-pentol, 2,7,15,18-Tetra-Ac C35H54O9 618.376783 NA MeJP NA NA +MJ086247 Gentinin C35H54O9 618.376783 NA MeJP NA NA +PJ009403 STKKR C25H50N10O8 618.3813 NA PeJP NA NA +PJ009404 ALLFR C30H50N8O6 618.3854 NA PeJP NA NA +PJ009405 CLKKK C27H54N8O6S 618.3887 NA PeJP NA NA +MJ086248 2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-(4-E-Hydroxycinnamoyl) C39H54O6 618.392039 NA MeJP NA NA +MJ086249 2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-(4-Z-Hydroxycinnamoyl) C39H54O6 618.392039 NA MeJP NA NA +MJ086250 2,3-Dihydroxy-12-ursen-28-oic acid, 2-(4-Hydroxycinnamoyl) (E-) C39H54O6 618.392039 NA MeJP NA NA +MJ086251 2,3-Dihydroxy-12-ursen-28-oic acid, 2-(4-Hydroxycinnamoyl) (Z-) C39H54O6 618.392039 NA MeJP NA NA +MJ086252 2,3-Dihydroxy-12-ursen-28-oic acid, 3-(4-Hydroxycinnamoyl) (E-) C39H54O6 618.392039 NA MeJP NA NA +MJ086253 2,3-Dihydroxy-12-ursen-28-oic acid, 3-(4-Hydroxycinnamoyl) (Z-) C39H54O6 618.392039 NA MeJP NA NA +MJ086254 20(29)-Lupene-2,3,28-triol, 28-Carboxylic acid, 3-(4-hydroxy-E-cinnamoyl) C39H54O6 618.392039 NA MeJP NA NA +MJ086255 20(29)-Lupene-2,3,28-triol, 28-Carboxylic acid, 3-(4-hydroxy-Z-cinnamoyl) C39H54O6 618.392039 NA MeJP NA NA +MJ086256 3,24-Dihydroxy-12-ursen-28-oic acid, 24-(4-Hydroxycinnamoyl)(E-) C39H54O6 618.392039 NA MeJP NA NA +MJ086257 3,27-Dihydroxy-12-oleanen-28-oic acid, 27-(4-Hydroxycinnamoyl)(E-) C39H54O6 618.392039 NA MeJP NA NA +MJ086258 3,27-Dihydroxy-12-oleanen-28-oic acid, 27-(4-Hydroxycinnamoyl)(Z-) C39H54O6 618.392039 NA MeJP NA NA +MJ086259 3,27-Dihydroxy-12-oleanen-28-oic acid, 27-Benzoyl, 3-Ac C39H54O6 618.392039 NA MeJP NA NA +MJ086260 3,27-Dihydroxy-12-ursen-28-oic acid, 27-(4-Hydroxycinnamoyl)(E-) C39H54O6 618.392039 NA MeJP NA NA +MJ086261 3,27-Dihydroxy-12-ursen-28-oic acid, 27-(4-Hydroxycinnamoyl)(Z-) C39H54O6 618.392039 NA MeJP NA NA +MJ086262 3,27-Dihydroxy-12-ursen-30-oic acid, 27-(4-Hydroxycinnamoyl) C39H54O6 618.392039 NA MeJP NA NA +MJ086263 3,27-Dihydroxy-20(29)-lupen-28-oic acid, 27-O-(4-Hydroxy-E-cinnamoyl) C39H54O6 618.392039 NA MeJP NA NA +MJ086264 3,27-Dihydroxy-20(29)-lupen-28-oic acid, 27-O-(4-Hydroxy-Z-cinnamoyl) C39H54O6 618.392039 NA MeJP NA NA +MJ086265 3,28-Dihydroxy-12-ursen-27-oic acid, 28-4-Hydroxycinnamoyl ester (E)- C39H54O6 618.392039 NA MeJP NA NA +MJ086266 3,28-Dihydroxy-12-ursen-27-oic acid, 28-4-Hydroxycinnamoyl ester (Z-) C39H54O6 618.392039 NA MeJP NA NA +MJ086267 3,30-Dihydroxy-12-ursen-28-oic acid, 3-O-(4-Hydroxycinnamoyl) C39H54O6 618.392039 NA MeJP NA NA +MJ086268 3,30-Dihydroxy-12-ursen-28-oic acid, 30-O-(4-Hydroxycinnamoyl) C39H54O6 618.392039 NA MeJP NA NA +MJ086269 3,9-Dihydroxy-20(29)-lupen-7-one, 3-(3,4-Dihydroxyphenyl-2-propenoyl) C39H54O6 618.392039 NA MeJP NA NA +MJ086270 3-Hydroxy-12-oleanen-28-oic acid, 3-O-(3,4-Dihydroxycinnamoyl) C39H54O6 618.392039 NA MeJP NA NA +MJ086271 3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-(3,4-Dihydroxycinnamoyl) C39H54O6 618.392039 NA MeJP NA NA +MJ086272 3-Hydroxy-20(29)-lupen-28-oic acid; 3?-form, 3-O-(3,4-Dihydroxycinnamoyl) C39H54O6 618.392039 NA MeJP NA NA +MJ086273 Ceanothanolic acid; 2-O-(4-Hydroxy-E-cinnamoyl) C39H54O6 618.392039 NA MeJP NA NA +MJ086274 Paracentrone; 19-Hexanoyloxy, 3-Ac C39H54O6 618.392039 NA MeJP NA NA +MJ086275 Taiwaniadduct I C39H54O6 618.392039 NA MeJP NA NA +MJ086276 Capuvosidine; Dihydro C40H50N4O2 618.393376 NA MeJP NA NA +MJ086277 Capuvosine; Deoxy C40H50N4O2 618.393376 NA MeJP NA NA +MJ086278 Tabernaebovine C40H50N4O2 618.393376 NA MeJP NA NA +MJ086279 Tabernamine; 19,20-Dihydro C40H50N4O2 618.393376 NA MeJP NA NA +MJ086280 Exophilin A; 3'-Ac C32H58O11 618.397912 NA MeJP NA NA +MJ086281 Fluvirucin B; Fluvirucin B3, 4'-Epimer, 2'-O-?-D-glucopyranoside C31H58N2O10 618.409146 NA MeJP NA NA +PJ009406 VLLKF C32H54N6O6 618.4105 NA PeJP NA NA +MJ086282 11,13(18)-Oleanadiene-1,3,22-triol, 3-O-?-D-Glucopyranoside C36H58O8 618.413168 NA MeJP NA NA +MJ086283 24-Hydroxy-12-oleanen-23-oic acid; 24-O-?-D-Glucopyranoside C36H58O8 618.413168 NA MeJP NA NA +MJ086284 3,13-Dihydroxy-28-oleananoic acid, 28?13 Lactone, 3-O-?-D-glucopyranoside C36H58O8 618.413168 NA MeJP NA NA +MJ086285 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-D-Arabinopyranoside, Me ester C36H58O8 618.413168 NA MeJP NA NA +MJ086286 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-L-Rhamnopyranoside C36H58O8 618.413168 NA MeJP NA NA +MJ086287 3,7-Dihydroxy-24-methylenelanost-8-en-21-oic acid, 7-O-?-D-Xylopyranoside C36H58O8 618.413168 NA MeJP NA NA +MJ086288 3-Hydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside C36H58O8 618.413168 NA MeJP NA NA +MJ086289 3-Hydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O8 618.413168 NA MeJP NA NA +MJ086290 3-Hydroxy-12-ursen-28-oic acid, 3-O-?-D-Glucopyranoside C36H58O8 618.413168 NA MeJP NA NA +MJ086291 34-Ethylhuratoxin; 1,2,22,23,24,25-Hexahydro C36H58O8 618.413168 NA MeJP NA NA +MJ086292 34-Ethylhuratoxin; 15,16,22,23,24,25-Hexahydro C36H58O8 618.413168 NA MeJP NA NA +MJ086293 5,19-Epoxycucurbita-6,23-diene-3,25-diol, 3-O-?-D-Allopyranoside C36H58O8 618.413168 NA MeJP NA NA +MJ086294 5,19-Epoxycucurbita-6,23-diene-3,25-diol, 3-O-?-D-Glucopyranoside C36H58O8 618.413168 NA MeJP NA NA +MJ086295 Antibiotic CP 101765 C36H58O8 618.413168 NA MeJP NA NA +MJ086296 Ergosta-5,24(28)-diene-3,7,16-triol, 3-O-(4-O-Acetyl-?-L-fucopyranoside) C36H58O8 618.413168 NA MeJP NA NA +MJ086297 Ergosta-5,24(28)-diene-3,7,16-triol, 3-O-?-L-Fucopyranoside, 7-Ac C36H58O8 618.413168 NA MeJP NA NA +MJ086298 Hederagenin 3-glycosides; Monoglycosides, 3-O-?-L-Rhamnopyranoside C36H58O8 618.413168 NA MeJP NA NA +MJ086299 Lanost-8-ene-2,3,24,25-tetrol, 3-Ketone, 2-(3-hydroxy-3-methylglutaroyl) C36H58O8 618.413168 NA MeJP NA NA +MJ086300 Lansiolic acid; 3-O-?-D-Glucopyranoside C36H58O8 618.413168 NA MeJP NA NA +MJ086301 Oleanolic acid 3-glycosides; Monoglycosides, 3-O-?-D-Glucopyranoside C36H58O8 618.413168 NA MeJP NA NA +MJ086302 Oleanolic acid glycosyl esters; Monoglycosides, ?-D-Glucopyranosyl ester C36H58O8 618.413168 NA MeJP NA NA +MJ086303 14-Serratene-3,21-diol, 3-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) C40H58O5 618.428424 NA MeJP NA NA +MJ086304 20(29)-Lupen-3-ol, 3-(3,4-Dihydroxy-5-methoxycinnamoyl) C40H58O5 618.428424 NA MeJP NA NA +MJ086305 20(29)-Lupene-3,28-diol, 3-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) C40H58O5 618.428424 NA MeJP NA NA +MJ086306 3,6-Epoxy-5,5',6,6'-tetrahydro-?,?-carotene-3',5,5',6'-tetrol C40H58O5 618.428424 NA MeJP NA NA +MJ086307 3-Hydroxy-12-ursen-28-oic acid, Ac, 2-methoxybenzyl ester C40H58O5 618.428424 NA MeJP NA NA +MJ086308 3-Hydroxy-12-ursen-28-oic acid, Ac, 4-methoxybenzyl ester C40H58O5 618.428424 NA MeJP NA NA +MJ086309 Latochrome C40H58O5 618.428424 NA MeJP NA NA +MJ086310 Latoxanthin C40H58O5 618.428424 NA MeJP NA NA +MJ086311 Neoflor C40H58O5 618.428424 NA MeJP NA NA +MJ086312 1,3,25,27-Octacosanetetrol, 25-Ketone, 1-O-?-D-glucopyranoside C34H66O9 618.470683 NA MeJP NA NA +MJ086313 1,3,25,27-Octacosanetetrol, 25-Ketone, 1-O-?-D-mannopyranoside C34H66O9 618.470683 NA MeJP NA NA +MJ086314 1,3,25,27-Octacosanetetrol, 3-Ketone, 1-O-?-D-glucopyranoside C34H66O9 618.470683 NA MeJP NA NA +HMDB07059 DG(14:1(9Z)/22:2(13Z,16Z)/0:0) C39H70O5 618.522339 NA HMDB2010 NA NA +HMDB07110 DG(16:0/20:3(5Z,8Z,11Z)/0:0) C39H70O5 618.522339 NA HMDB2010 NA NA +HMDB07111 DG(16:0/20:3(8Z,11Z,14Z)/0:0) C39H70O5 618.522339 NA HMDB2010 NA NA +HMDB07138 DG(16:1(9Z)/20:2(11Z,14Z)/0:0) C39H70O5 618.522339 NA HMDB2010 NA NA +HMDB07162 DG(18:0/18:3(6Z,9Z,12Z)/0:0) C39H70O5 618.522339 NA HMDB2010 NA NA +HMDB07163 DG(18:0/18:3(9Z,12Z,15Z)/0:0) C39H70O5 618.522339 NA HMDB2010 NA NA +HMDB07190 DG(18:1(11Z)/18:2(9Z,12Z)/0:0) C39H70O5 618.522339 NA HMDB2010 NA NA +HMDB07219 DG(18:1(9Z)/18:2(9Z,12Z)/0:0) C39H70O5 618.522339 NA HMDB2010 NA NA +HMDB07246 DG(18:2(9Z,12Z)/18:1(11Z)/0:0) C39H70O5 618.522339 NA HMDB2010 NA NA +HMDB07247 DG(18:2(9Z,12Z)/18:1(9Z)/0:0) C39H70O5 618.522339 NA HMDB2010 NA NA +HMDB07274 DG(18:3(6Z,9Z,12Z)/18:0/0:0) C39H70O5 618.522339 NA HMDB2010 NA NA +HMDB07303 DG(18:3(9Z,12Z,15Z)/18:0/0:0) C39H70O5 618.522339 NA HMDB2010 NA NA +HMDB07418 DG(20:2(11Z,14Z)/16:1(9Z)/0:0) C39H70O5 618.522339 NA HMDB2010 NA NA +HMDB07446 DG(20:3(5Z,8Z,11Z)/16:0/0:0) C39H70O5 618.522339 NA HMDB2010 NA NA +HMDB07475 DG(20:3(8Z,11Z,14Z)/16:0/0:0) C39H70O5 618.522339 NA HMDB2010 NA NA +HMDB07647 DG(22:2(13Z,16Z)/14:1(9Z)/0:0) C39H70O5 618.522339 NA HMDB2010 NA NA +HMDB05230 DG(18:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] C39H70O5 618.52234 http://www.hmdb.ca/metabolites/HMDB05230 HMDB NA NA +HMDB05230 DG(18:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] C39H70O5 618.52234 HMDB05230 PFEM_hmdb_metabocards_official NA NA +MJ086315 9-Tetracosenoic acid, Octadecyl ester C42H82O2 618.631481 NA MeJP NA NA +C14007 Cefotetan disodium C17H15N7O8S4 618.966 NA KEGG NA NA +C14008 Transferred to D02229 C17H15N7O8S4 618.966 NA KEGG NA NA +C14009 Transferred to D02230 C17H15N7O8S4 618.966 NA KEGG NA NA +C00976 GDP-D-mannuronate C16H23N5O17P2 619.0564 NA KEGG NA NA +MJ086316 GDP-D-mannuronate C16H23N5O17P2 619.056417 NA MeJP NA NA +MetaCyc03987 GDP-mannuronate [GDP-mannuronic acid;GDP-D-mannuronic acid;GDP-D-mannuronate;] C16H23N5O17P2 619.056417 NA metacyc NA NA +MJ086317 1-Methyl-4-[[4-[[[4-[(1-methylpyridinium-4-yl)amino]phenyl]amino]carbonyl]phenyl]amino]quinolinium(2+); Dibromide C29H27Br2N5O 619.058235 NA MeJP NA NA +C06397 ADP-D-glycero-D-manno-heptose C17H27N5O16P2 619.0928 NA KEGG NA NA +C06398 ADP-L-glycero-D-manno-heptose C17H27N5O16P2 619.0928 NA KEGG NA NA +MetaCyc03988 ADP-L-glycero-D-manno-heptose [2-[[[5-[(6-amino-9H-purin-9-yl)]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinoyl]oxy-hydroxy-phosphinoyl]oxy-6-(1,2-dihydroxyethyl)tetrahydropyran-3,4,5-triol;ADP-L-glycero-D-manno-heptose;] C17H27N5O16P2 619.092803 NA metacyc NA NA +MetaCyc03989 ADP-D-glycero-D-manno-heptose [] C17H27N5O16P2 619.092803 119-61-9 metacyc NA NA +MJ086318 1-[[5-Chloro-3-(2-chlorophenyl)-1-[(3,4-dimethoxyphenyl)sulfonyl]-2,3-dihydro-3-hydroxy-1H-indol-2-yl]carbonyl]-2-pyrrolidinecarboxamide C28H27Cl2N3O7S 619.094676 NA MeJP NA NA +PJ009407 CCCEY C23H33N5O9S3 619.1441 NA PeJP NA NA +MJ086319 N-[1-[3,5-Bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]-4-piperidinyl]-4-quinolinecarboxamide C31H24ClF6N3O2 619.146123 NA MeJP NA NA +PJ009408 CDDMH C22H33N7O10S2 619.1731 NA PeJP NA NA +PJ009409 TCCMY C24H37N5O8S3 619.1804 NA PeJP NA NA +PJ009410 GSCCNH C21H33N9O9S2 619.1843 NA PeJP NA NA +PJ009411 GPCNDD C22H33N7O12S 619.1908 NA PeJP NA NA +PJ009412 GCDYY C27H33N5O10S 619.1948 NA PeJP NA NA +MJ086320 3-Deoxy-?-D-manno-2-octulopyranosonosyl-(2?4)-3-deoxy-?-D-manno-2-octulopyranosonosyl-(2?6)-2-amino-2-deoxy-D-glucose C22H37NO19 619.195978 NA MeJP NA NA +PJ009413 NNDEE C22H33N7O14 619.2086 NA PeJP NA NA +PJ009414 SDMMH C23H37N7O9S2 619.2094 NA PeJP NA NA +PJ009415 GCMFY C28H37N5O7S2 619.2135 NA PeJP NA NA +PJ009416 PDEEM C24H37N5O12S 619.216 NA PeJP NA NA +PJ009417 GSNNND C21H33N9O13 619.2198 NA PeJP NA NA +PJ009418 GNDEW C26H33N7O11 619.2238 NA PeJP NA NA +PJ009419 GSPNDM C23H37N7O11S 619.2272 NA PeJP NA NA +PJ009420 AMMMH C24H41N7O6S3 619.2281 NA PeJP NA NA +PJ009421 SCHHH C24H33N11O7S 619.2285 NA PeJP NA NA +PJ009422 GSMYY C28H37N5O9S 619.2312 NA PeJP NA NA +PJ009423 VDEEE C24H37N5O14 619.2337 NA PeJP NA NA +PJ009424 PDDHH C25H33N9O10 619.2351 NA PeJP NA NA +PJ009425 NNNQM C22H37N9O10S 619.2384 NA PeJP NA NA +PJ009426 GGGGGGQM C22H37N9O10S 619.2385 NA PeJP NA NA +PJ009427 NDWW C30H33N7O8 619.2391 NA PeJP NA NA +MJ086321 Vakognavine C34H37NO10 619.241746 NA MeJP NA NA +PJ009428 SPCQW C27H37N7O8S 619.2424 NA PeJP NA NA +PJ009429 PTCNW C27H37N7O8S 619.2425 NA PeJP NA NA +PJ009430 SQQEE C23H37N7O13 619.2449 NA PeJP NA NA +PJ009431 GGTQEE C23H37N7O13 619.245 NA PeJP NA NA +PJ009432 TTMMH C24H41N7O8S2 619.2458 NA PeJP NA NA +PJ009433 GCFFF C32H37N5O6S 619.2465 NA PeJP NA NA +PJ009434 SSTYY C28H37N5O11 619.249 NA PeJP NA NA +PJ009435 CNNNR C21H37N11O9S 619.2497 NA PeJP NA NA +PJ009436 SNDER C22H37N9O12 619.2562 NA PeJP NA NA +PJ009437 PCNMR C23H41N9O7S2 619.2571 NA PeJP NA NA +PJ009438 MHFW C31H37N7O5S 619.2577 NA PeJP NA NA +PJ009439 GTQEW C27H37N7O10 619.2602 NA PeJP NA NA +7870 peptide from sauce of blue mussel (Mytilus edulis) FGHPY 619.262 antioxidative Inhouse_peptide NA peptide +MJ086322 Hordenine; O-[6-O-(4-Hydroxycinnamoyl)-?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranoside] C31H41NO12 619.262875 NA MeJP NA NA +PJ009440 VNQEM C24H41N7O10S 619.2636 NA PeJP NA NA +PJ009441 QFYY C32H37N5O8 619.2642 NA PeJP NA NA +PJ009442 PPEMF C29H41N5O8S 619.2676 NA PeJP NA NA +PJ009443 TLEEE C25H41N5O13 619.2701 NA PeJP NA NA +PJ009444 PLEMM C26H45N5O8S2 619.271 NA PeJP NA NA +PJ009445 GSDRW C26H37N9O9 619.2715 NA PeJP NA NA +PJ009446 GQEMR C23H41N9O9S 619.2748 NA PeJP NA NA +PJ009447 TQWW C31H37N7O7 619.2755 NA PeJP NA NA +MJ086323 Cardiopidine; O3-Deacyl, O2-(2-methylpropanoyl) C35H41NO9 619.278131 NA MeJP NA NA +MJ086324 Cardiopidine; O3-Deacyl, O3-(2-methylpropanoyl) C35H41NO9 619.278131 NA MeJP NA NA +PJ009448 GVQMW C28H41N7O7S 619.2788 NA PeJP NA NA +PJ009449 GGGLMW C28H41N7O7S 619.2789 NA PeJP NA NA +PJ009450 SQKEE C24H41N7O12 619.2813 NA PeJP NA NA +PJ009451 GGTKEE C24H41N7O12 619.2814 NA PeJP NA NA +PJ009452 PNKMM C25H45N7O7S2 619.2822 NA PeJP NA NA +PJ009453 AQQHH C25H37N11O8 619.2827 NA PeJP NA NA +PJ009454 PVEEF C29H41N5O10 619.2854 NA PeJP NA NA +PJ009455 GCERR C22H41N11O8S 619.2861 NA PeJP NA NA +PJ009456 VLEEM C26H45N5O10S 619.2887 NA PeJP NA NA +PJ009457 QMRW C27H41N9O6S 619.2901 NA PeJP NA NA +PJ009458 STQER C23H41N9O11 619.2926 NA PeJP NA NA +PJ009459 GNHHR C24H37N13O7 619.2939 NA PeJP NA NA +PJ009460 GTKEW C28H41N7O9 619.2966 NA PeJP NA NA +PJ009461 VNKEM C25H45N7O9S 619.3 NA PeJP NA NA +MJ086325 Amphibine H; N-De-Me, N-formyl C33H41N5O7 619.300598 NA MeJP NA NA +PJ009462 KFYY C33H41N5O7 619.3006 NA PeJP NA NA +PJ009463 CRRW C26H41N11O5S 619.3013 NA PeJP NA NA +PJ009464 SSDRR C22H41N11O10 619.3038 NA PeJP NA NA +PJ009465 PPLMY C30H45N5O7S 619.304 NA PeJP NA NA +MJ086326 Cryptoechinulin D C38H41N3O5 619.304621 NA MeJP NA NA +PJ009466 GTTRW C27H41N9O8 619.3078 NA PeJP NA NA +MJ086327 Osteostatin C27H41N9O8 619.307809 NA MeJP NA NA +7556 ACE inhibitor from spinach YPLDL 619.3099 antioxidative Inhouse_peptide NA peptide +PJ009467 GKEMR C24H45N9O8S 619.3112 NA PeJP NA NA +PJ009468 TKWW C32H41N7O6 619.3119 NA PeJP NA NA +MJ086328 Pregnane-3,8,12,14,17,20-hexol, 20-O-(3-Pyridinecarbonyl), 12-O-cinnamoyl C36H45NO8 619.314517 NA MeJP NA NA +PJ009469 GVKMW C29H45N7O6S 619.3152 NA PeJP NA NA +MJ086329 Glycylalanylprolylmethionylphenylalanylvalinamide C29H45N7O6S 619.315202 NA MeJP NA NA +PJ009470 SKKEE C25H45N7O11 619.3177 NA PeJP NA NA +PJ009471 PPNHR C26H41N11O7 619.3191 NA PeJP NA NA +PJ009472 PVLEY C30H45N5O9 619.3217 NA PeJP NA NA +PJ009473 GTMRR C23H45N11O7S 619.3224 NA PeJP NA NA +PJ009474 KMRW C28H45N9O5S 619.3265 NA PeJP NA NA +PJ009475 STKER C24H45N9O10 619.329 NA PeJP NA NA +PJ009476 SSLKW C29H45N7O8 619.333 NA PeJP NA NA +PJ009477 TLQKM C26H49N7O8S 619.3363 NA PeJP NA NA +PJ009478 VDKKM C26H49N7O8S 619.3364 NA PeJP NA NA +MJ086330 N-[N-[N-[(Hexahydro-1H-azepin-1-yl)carbonyl]-L-leucyl]-1-methyl-D-tryptophyl]-D-tyrosine C34H45N5O6 619.336984 NA MeJP NA NA +PJ009479 PPLFF C34H45N5O6 619.337 NA PeJP NA NA +PJ009480 STTRR C23H45N11O9 619.3402 NA PeJP NA NA +PJ009481 PLLMF C31H49N5O6S 619.3404 NA PeJP NA NA +PJ009482 LLLMM C28H53N5O6S2 619.3438 NA PeJP NA NA +PJ009483 GPKRY C28H45N9O7 619.3442 NA PeJP NA NA +PJ009484 SVKMR C25H49N9O7S 619.3476 NA PeJP NA NA +PJ009485 GTTTLK C26H49N7O10 619.3541 NA PeJP NA NA +PJ009486 AAFRR C27H45N11O6 619.3555 NA PeJP NA NA +PJ009487 VLLEF C31H49N5O8 619.3581 NA PeJP NA NA +PJ009488 PTKKF C30H49N7O7 619.3694 NA PeJP NA NA +PJ009489 TLKKM C27H53N7O7S 619.3727 NA PeJP NA NA +MJ086331 Eisenia Inhibitory peptapeptides; EIPP I C29H49N9O6 619.38058 NA MeJP NA NA +PJ009490 GLKFR C29H49N9O6 619.3806 NA PeJP NA NA +PJ009491 VLLLY C32H53N5O7 619.3945 NA PeJP NA NA +PJ009492 VVKKF C31H53N7O6 619.4058 NA PeJP NA NA +MJ086332 7,26-Dihydroxycholest-4-en-3-one, 7-O-[2-(Acetylamino)-2-deoxy-?-D-glucopyranosyl] C35H57NO8 619.408417 NA MeJP NA NA +MJ086333 Sulfobacin A C34H69NO6S 619.484559 NA MeJP NA NA +HMDB10698 CerP(d18:0/16:0) C34H70NO6P 619.49408 NA HMDB2010 NA NA +HMDB11775 Cer(d18:1/22:1(13Z)) C40H77NO3 619.590332 NA HMDB2010 NA NA +MJ086334 2-Amino-4-octadecene-1,3-diol, N-(13Z-Docosenoyl) C40H77NO3 619.590345 NA MeJP NA NA +HMDB05790 Tannin C26H20O18 620.06494 http://www.hmdb.ca/metabolites/HMDB05790 HMDB NA NA +HMDB05790 Tannin C26H20O18 620.06494 HMDB05790 PFEM_hmdb_metabocards_official NA NA +HMDB05790 Tannin C26H20O18 620.064941 NA HMDB2010 NA NA +PJ009493 SCCCCC C18H32N6O8S5 620.0885 NA PeJP NA NA +MJ086335 1,5-Anhydroglucitol, 2-O-(3,4,5-Trihydroxybenzoyl), 6-O-(dihydroxy-3,4,5-trihydroxybenzoyloxybenzoyl) C27H24O17 620.101349 NA MeJP NA NA +MJ086336 proto-Quercitol, 1,3,5-Tris(3,4,5-trihydroxybenzoyl) C27H24O17 620.101349 NA MeJP NA NA +MJ086337 proto-Quercitol, 1,4,5-Tris(3,4,5-trihydroxybenzoyl) C27H24O17 620.101349 NA MeJP NA NA +MJ086338 proto-Quercitol, 2,4,5-Tris(3,4,5-trihydroxybenzoyl) C27H24O17 620.101349 NA MeJP NA NA +MJ086339 proto-Quercitol, 3,4,5-Tris(3,4,5-trihydroxybenzoyl) C27H24O17 620.101349 NA MeJP NA NA +MJ086340 scyllo-Quercitol; 1,2,3-Tris-O-(3,4,5-trihydroxybenzoyl) C27H24O17 620.101349 NA MeJP NA NA +MJ086341 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(3,6-Di-O-malonyl-?-D-glucopyranoside) C27H25O17(+) 620.101349 NA MeJP NA NA +MJ086342 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(Di-O-malonyl-?-D-glucopyranoside) C27H25O17(+) 620.101349 NA MeJP NA NA +MJ086343 Cosmosiin; 6''-O-(4-Hydroxy-E-cinnamoyl), 3''-Ac C32H28O13 620.15299 NA MeJP NA NA +FL3FAAGS0069 Apigenin 7-(3''-acetyl-6''-E-p-coumaroylglucoside);7-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C32H28O13 620.15299 474766-92-2 knapsack NA NA +MJ086344 Garcilivin A C36H28O10 620.168247 NA MeJP NA NA +MJ086345 Garcilivin B C36H28O10 620.168247 NA MeJP NA NA +PJ009494 GSCCDH C21H32N8O10S2 620.1683 NA PeJP NA NA +MJ086346 1,3,6-Trihydroxy-2-methylanthraquinone; 3-O-[3-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C29H32O15 620.17412 NA MeJP NA NA +MJ086347 1,3,6-Trihydroxy-2-methylanthraquinone; 3-O-[6-O-Acetyl-?-rhamnosyl-(1?2)-?-glucoside] C29H32O15 620.17412 NA MeJP NA NA +MJ086348 4',5,7-Trihydroxyflavone; 5-O-[?-L-Rhamnopyranosyl-(1?4)-6-O-acetyl-?-D-glucopyranoside] C29H32O15 620.17412 NA MeJP NA NA +MJ086349 4',5,7-Trihydroxyflavone; 7-O-[6-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C29H32O15 620.17412 NA MeJP NA NA +MJ086350 Vitexin; 2''-O-(4-O-Acetyl-?-L-rhamnopyranosyl) C29H32O15 620.17412 NA MeJP NA NA +MJ086351 Vitexin; 6''-Ac, 2''-O-?-L-rhamnopyranosyl C29H32O15 620.17412 NA MeJP NA NA +MJ086352 Vitexin; 6''-Ac, 4''-O-?-L-rhamnopyranosyl C29H32O15 620.17412 NA MeJP NA NA +MJ086353 ?-Rhamnoisorobin; 3-O-(3-O-Acetyl-?-L-rhamnopyranoside) C29H32O15 620.17412 NA MeJP NA NA +MJ086354 ?-Rhamnoisorobin; 3-O-(4-O-Acetyl-?-L-rhamnopyranoside) C29H32O15 620.17412 NA MeJP NA NA +MJ086355 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[2-O-Acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H33O15(+) 620.17412 NA MeJP NA NA +FL3FAACS0033 Vitexin 2''-O-rhamnoside-4'''-acetate;Swertisin 6'''-O-feruloyl 2''-O-glucoside C29H32O15 620.17412 80537-98-0 knapsack NA NA +FL3FAACS0059 Cratenacin C29H32O15 620.17412 28329-82-0 knapsack NA NA +FL3FAACS0060 Vitexin 2''-O-rhamnoside 6''-acetate C29H32O15 620.17412 140242-24-6 knapsack NA NA +FL3FAACS0085 Vitexin 2''-O-acetyl 4''-O-rhamnoside C29H32O15 620.17412 - knapsack NA NA +FL3FAAGS0051 Apigenin 5-rhamnosyl-(1->2)-(6''-acetylglucoside) C29H32O15 620.17412 125300-52-9 knapsack NA NA +FL5FAAGS0065 Sutchuenoside A C29H32O15 620.17412 138079-60-4 knapsack NA NA +PJ009495 GPCDDD C22H32N6O13S 620.1748 NA PeJP NA NA +PJ009496 CCQMH C22H36N8O7S3 620.1869 NA PeJP NA NA +PJ009497 NDDEE C22H32N6O15 620.1926 NA PeJP NA NA +PJ009498 SPPCCD C23H36N6O10S2 620.1935 NA PeJP NA NA +MJ086356 3-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Hepta-Ac C26H36O17 620.195249 NA MeJP NA NA +PJ009499 CCCHR C21H36N10O6S3 620.1982 NA PeJP NA NA +PJ009500 GSNNDD C21H32N8O14 620.2038 NA PeJP NA NA +PJ009501 GSSCMH C22H36N8O9S2 620.2047 NA PeJP NA NA +PJ009502 GDDEW C26H32N6O12 620.2078 NA PeJP NA NA +FL2FABGM0005 Matterionate A;Matteuorienate A;5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-[6-(3-hydroxy-3-methylglutaryl)glucoside] C30H36O14 620.2105 161161-68-8 knapsack NA NA +FL5FA9GM0001 5,7-Dihydroxy-6,8-di-C-methyl-3-methyoxflavone 7-galactosyl-(1->2)-rhamnoside;7-[(6-Deoxy-2-O-beta-D-galactopyranosyl-alpha-L-mannopyranosyl)oxy]-5-hydroxy-3-methoxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one C30H36O14 620.2105 221038-15-9 knapsack NA NA +MJ086357 3,5,7-Trihydroxy-6,8-dimethylflavone; 3-Me ether, 7-O-[?-D-galactopyranosyl-(1?2)-?-D-rhamnopyranoside] C30H36O14 620.210505 NA MeJP NA NA +MJ086358 3-(4-Hydroxyphenyl)-2-propen-1-ol, 1-O-[?-D-Glucopyranosyl-(1?2)-[4-hydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C30H36O14 620.210505 NA MeJP NA NA +MJ086359 3-(4-Hydroxyphenyl)-2-propen-1-ol, 1-O-[?-D-Glucopyranosyl-(1?2)-[4-hydroxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] C30H36O14 620.210505 NA MeJP NA NA +MJ086360 4',5,7-Trihydroxy-6,8-dimethylflavanone, 4'-Me ether, 7-O-[4-carboxy-3-hydroxy-3-methylbutanoyl-(?6)-?-D-glucopyranoside] C30H36O14 620.210505 NA MeJP NA NA +MJ086361 Egonol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C30H36O14 620.210505 NA MeJP NA NA +PJ009503 GSPDDM C23H36N6O12S 620.2112 NA PeJP NA NA +PJ009504 APPCCM C24H40N6O7S3 620.2121 NA PeJP NA NA +MJ086362 Cancentrine; 10-Oxo C36H32N2O8 620.215866 NA MeJP NA NA +MJ086363 Ristotetrose C23H40O19 620.216379 NA MeJP NA NA +PJ009505 SSSTCH C22H36N8O11S 620.2224 NA PeJP NA NA +PJ009506 GGNNEM C22H36N8O11S 620.2225 NA PeJP NA NA +PJ009507 DDWW C30H32N6O9 620.2231 NA PeJP NA NA +PJ009508 CCKMH C23H40N8O6S3 620.2233 NA PeJP NA NA +MJ086364 1,2,6,9-Tetrahydroxydihydro-?-agarofuran, 2,6-Bis(furancarbonyl), 9-benzoyl, 1-Ac C34H36O11 620.225761 NA MeJP NA NA +MJ086365 Antibiotic ES 242-4; 4-Ac C34H36O11 620.225761 NA MeJP NA NA +PJ009509 SPCEW C27H36N6O9S 620.2265 NA PeJP NA NA +PJ009510 SQEEE C23H36N6O14 620.229 NA PeJP NA NA +PJ009511 PNEMM C24H40N6O9S2 620.2298 NA PeJP NA NA +PJ009512 GGPEMM C24H40N6O9S2 620.2299 NA PeJP NA NA +MJ086366 2-Hydroxy-2-(2-methylpropyl)butanedioic acid, O-?-D-Glucopyranoside, 1-(4-?-D-glucopyranosyloxybenzyl) ester, C27H40O16 620.231635 NA MeJP NA NA +MJ086367 Chromoviridan C41H28N6O 620.232459 NA MeJP NA NA +PJ009513 CNNDR C21H36N10O10S 620.2337 NA PeJP NA NA +PJ009514 GNNMW C26H36N8O8S 620.2377 NA PeJP NA NA +PJ009515 SDDER C22H36N8O13 620.2402 NA PeJP NA NA +PJ009516 PCDMR C23H40N8O8S2 620.2411 NA PeJP NA NA +PJ009517 GTEEW C27H36N6O11 620.2442 NA PeJP NA NA +PJ009518 GPMMW C28H40N6O6S2 620.2451 NA PeJP NA NA +MJ086368 1,3-Diacetyl-11,19-deoxa-11-oxomeliacarpin C31H40O13 620.246891 NA MeJP NA NA +MJ086369 Grandifolin C31H40O13 620.246891 NA MeJP NA NA +MJ086370 Hydrangenoside A C31H40O13 620.246891 NA MeJP NA NA +MJ086371 Rubellin C31H40O13 620.246891 NA MeJP NA NA +PJ009519 VNEEM C24H40N6O11S 620.2476 NA PeJP NA NA +PJ009520 EFYY C32H36N4O9 620.2482 NA PeJP NA NA +MJ086372 Agrobactin; 3'-Deoxy C32H36N4O9 620.248228 NA MeJP NA NA +MJ086373 Saframycin H C32H36N4O9 620.248228 NA MeJP NA NA +PJ009521 PCQHH C25H36N10O7S 620.2489 NA PeJP NA NA +PJ009522 GAPCHH C25H36N10O7S 620.249 NA PeJP NA NA +MJ086374 Maytansinol; 3-O-Propanoyl C31H41ClN2O9 620.250058 NA MeJP NA NA +MJ086375 Maytansinol; N-De-Me, 3-O-(2-methylpropanoyl) C31H41ClN2O9 620.250058 NA MeJP NA NA +MJ086376 Curicycleatjine C37H36N2O7 620.252251 NA MeJP NA NA +MJ086377 Isothalmidine C37H36N2O7 620.252251 NA MeJP NA NA +MJ086378 Ocotosine, 12-O-De-Me, 12'-Me, ?'-ketone C37H36N2O7 620.252251 NA MeJP NA NA +MJ086379 Oxoepistephanine C37H36N2O7 620.252251 NA MeJP NA NA +MJ086380 Repanduline C37H36N2O7 620.252251 NA MeJP NA NA +MJ086381 Fenfangjine H; 1''-Aldehyde C37H37N2O7(+) 620.252251 NA MeJP NA NA +PJ009523 SSNQW C26H36N8O10 620.2555 NA PeJP NA NA +PJ009524 GEEMR C23H40N8O10S 620.2588 NA PeJP NA NA +PJ009525 GGGGAATM C23H40N8O10S 620.2589 NA PeJP NA NA +PJ009526 TEWW C31H36N6O8 620.2595 NA PeJP NA NA +MJ086382 1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 1-Cinnamoyl, 9-benzoyl, 2,6-di-Ac C35H40O10 620.262147 NA MeJP NA NA +PJ009527 GVEMW C28H40N6O8S 620.2629 NA PeJP NA NA +PJ009528 SKEEE C24H40N6O13 620.2654 NA PeJP NA NA +PJ009529 PDKMM C25H44N6O8S2 620.2662 NA PeJP NA NA +PJ009530 AQEHH C25H36N10O9 620.2667 NA PeJP NA NA +PJ009531 SNNMR C22H40N10O9S 620.2701 NA PeJP NA NA +PJ009532 GNHFF C30H36N8O7 620.2707 NA PeJP NA NA +MJ086383 Araliopdimerine A; 17,18-Dihydro, 18-hydroxy C34H40N2O9 620.27338 NA MeJP NA NA +MJ086384 Reserpic acid; O-(3,4,5-Trimethoxycinnamoyl), O17-de-Me, Me ester C34H40N2O9 620.27338 NA MeJP NA NA +PJ009533 EMRW C27H40N8O7S 620.2741 NA PeJP NA NA +PJ009534 STEER C23H40N8O12 620.2766 NA PeJP NA NA +PJ009535 SPMMR C24H44N8O7S2 620.2775 NA PeJP NA NA +PJ009536 GDHHR C24H36N12O8 620.2779 NA PeJP NA NA +PJ009537 VMWW C32H40N6O5S 620.2781 NA PeJP NA NA +PJ009538 SSLEW C28H40N6O10 620.2806 NA PeJP NA NA +PJ009539 AAHHW C29H36N10O6 620.282 NA PeJP NA NA +MJ086385 2,3,5,7,15-Pentahydroxy-6(17),11-jatrophadiene-9,14-dione, 7-(2-Methylpropanoyl), 2,3,5,15-tetra-Ac C32H44O12 620.283276 NA MeJP NA NA +MJ086386 2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2,3-Diangeloyl, 8-(2-methylbutanoyl), 10-Ac C32H44O12 620.283276 NA MeJP NA NA +MJ086387 2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-(3-Methyl-2-butenoyl), 3-angeloyl, 8-(2-methylbutanoyl), 10-Ac C32H44O12 620.283276 NA MeJP NA NA +MJ086388 3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 5-Ac, 3-O-(6-deoxy-L-mannonoyl) C32H44O12 620.283276 NA MeJP NA NA +MJ086389 3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 5-Ac, 3-O-?-D-glucopyranoside C32H44O12 620.283276 NA MeJP NA NA +MJ086390 3,5,7,8,15-Pentahydroxy-6(17),11-jatrophadiene-9,14-dione, 7-(2-Methylpropanoyl), 3,5,8,15-tetra-Ac C32H44O12 620.283276 NA MeJP NA NA +MJ086391 3,5,7,8,15-Pentahydroxy-6(17),11-jatrophadiene-9,14-dione, 8-(2-Methylpropanoyl), 3,5,7,15-tetra-Ac C32H44O12 620.283276 NA MeJP NA NA +MJ086392 3,6,8,14-Tetrahydroxybufa-4,20,22-trienolide, 6-Ac, 3-O-?-D-glucopyranoside C32H44O12 620.283276 NA MeJP NA NA +MJ086393 3,8,14,16-Tetrahydroxybufa-4,20,22-trienolide, 3-O-?-D-Glucopyranoside, 16-Ac C32H44O12 620.283276 NA MeJP NA NA +MJ086394 4(20),11-Taxadiene-2,5,7,9,10,13-hexol, Hexa-Ac C32H44O12 620.283276 NA MeJP NA NA +MJ086395 8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2,4-dibutanoyl, 9,14-di-Ac C32H44O12 620.283276 NA MeJP NA NA +MJ086396 Perdeacyldecipinone; 5-Butanoyl, 3,7,13,17-tetra-Ac C32H44O12 620.283276 NA MeJP NA NA +C08872 Lanceotoxin A C32H44O12 620.2833 NA KEGG NA NA +C08880 Scilliroside C32H44O12 620.2833 NA KEGG NA NA +PJ009540 VDKEM C25H44N6O10S 620.284 NA PeJP NA NA +PJ009541 LYYY C33H40N4O8 620.2846 NA PeJP NA NA +PJ009542 PCKHH C26H40N10O6S 620.2853 NA PeJP NA NA +PJ009543 GSSSQR C22H40N10O11 620.2878 NA PeJP NA NA +MJ086397 Cycleanine, 3,4-Didehydro C38H40N2O6 620.288637 NA MeJP NA NA +MJ086398 Insularoline; Me ether C38H40N2O6 620.288637 NA MeJP NA NA +MJ086399 Warifteine; Di-Me ether C38H40N2O6 620.288637 NA MeJP NA NA +PJ009544 SSNKW C27H40N8O9 620.2918 NA PeJP NA NA +PJ009545 GGSSKW C27H40N8O9 620.2919 NA PeJP NA NA +PJ009546 SVEMR C24H44N8O9S 620.2952 NA PeJP NA NA +PJ009547 GPVYW C32H40N6O7 620.2959 NA PeJP NA NA +MJ086400 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 8-(2-methylbutanoyl), 6-Ac C36H44O9 620.298533 NA MeJP NA NA +MJ086401 Nimbolinin B; 12-Me ether, O7-detigloyl, O1-de-Ac, O1-benzoyl C36H44O9 620.298533 NA MeJP NA NA +PJ009548 ATLMW C29H44N6O7S 620.2992 NA PeJP NA NA +PJ009549 GGPLMF C29H44N6O7S 620.2993 NA PeJP NA NA +MJ086402 Lotusanine B C37H40N4O5 620.29987 NA MeJP NA NA +PJ009550 GTTTLE C25H44N6O12 620.3017 NA PeJP NA NA +PJ009551 VLQMM C26H48N6O7S2 620.3026 NA PeJP NA NA +PJ009552 GNQFR C26H40N10O8 620.3031 NA PeJP NA NA +MJ086403 Cycloartane-3,23,28-triol, 3,28-Disulfate C30H52O9S2 620.305274 NA MeJP NA NA +PJ009553 SCQKR C23H44N10O8S 620.3064 NA PeJP NA NA +PJ009554 GGTCKR C23H44N10O8S 620.3065 NA PeJP NA NA +PJ009555 PRYW C31H40N8O6 620.3071 NA PeJP NA NA +MJ086404 Cryptophycin 4; 7R*,8R*-Epoxide C35H44N2O8 620.309766 NA MeJP NA NA +PJ009556 GCKKW C28H44N8O6S 620.3105 NA PeJP NA NA +PJ009557 GSSDKK C24H44N8O11 620.313 NA PeJP NA NA +PJ009558 ALMMR C25H48N8O6S2 620.3138 NA PeJP NA NA +PJ009559 VCLMR C25H48N8O6S2 620.3139 NA PeJP NA NA +PJ009560 ATHHR C25H40N12O7 620.3143 NA PeJP NA NA +PJ009561 TTTLW C29H44N6O9 620.317 NA PeJP NA NA +MJ086405 11,12-Epoxy-10(14)-oplopene-2,3,4,9-tetrol, 9-(4-Acetoxy-3-methyl-2E-pentenoyl), 2,3-bis(2-methylpropanoyl), 4-Ac C33H48O11 620.319662 NA MeJP NA NA +MJ086406 3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside), 6-Ac C33H48O11 620.319662 NA MeJP NA NA +MJ086407 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-(2-Methylbutanoyl), 12-(2-methylpropanoyl), 6,19-di-Ac C33H48O11 620.319662 NA MeJP NA NA +MJ086408 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 12-(2-Methylbutanoyl), 1-(2-methylpropanoyl), 6,19-di-Ac C33H48O11 620.319662 NA MeJP NA NA +MJ086409 5,6-Epoxy-4(15)-eudesmene-3,7,11-triol, 11-O-(3-Acetyl-2,4-diangeloyl-?-D-fucopyranoside) C33H48O11 620.319662 NA MeJP NA NA +PJ009562 TLKEM C26H48N6O9S 620.3204 NA PeJP NA NA +PJ009563 GSSSKR C23H44N10O10 620.3242 NA PeJP NA NA +MJ086410 Terlakiren C31H48N4O7S 620.32437 NA MeJP NA NA +PJ009564 SPVRY C28H44N8O8 620.3282 NA PeJP NA NA +PJ009565 GGGGVKF C28H44N8O8 620.3283 NA PeJP NA NA +MJ086411 Butobendine C32H48N2O10 620.330895 NA MeJP NA NA +PJ009566 TTLMR C25H48N8O8S 620.3316 NA PeJP NA NA +PJ009567 GVLFW C33H44N6O6 620.3323 NA PeJP NA NA +MJ086412 Melianin C C37H48O8 620.334918 NA MeJP NA NA +PJ009568 PVKMF C30H48N6O6S 620.3356 NA PeJP NA NA +MJ086413 Keenamide A C30H48N6O6S 620.335603 NA MeJP NA NA +PJ009569 SSTTLL C26H48N6O11 620.3381 NA PeJP NA NA +PJ009570 VLKMM C27H52N6O6S2 620.339 NA PeJP NA NA +PJ009571 GNKFR C27H44N10O7 620.3395 NA PeJP NA NA +PJ009572 SCKKR C24H48N10O7S 620.3428 NA PeJP NA NA +PJ009573 LFRW C32H44N8O5 620.3435 NA PeJP NA NA +MJ086414 Trienomycin; Trienomycin D C36H48N2O7 620.346151 NA MeJP NA NA +PJ009574 GSTTKK C25H48N8O10 620.3494 NA PeJP NA NA +PJ009575 PTLKY C30H48N6O8 620.3534 NA PeJP NA NA +MJ086415 1,3,20-Trihydroxywitha-5,24-dienolide, 3-O-?-D-Glucopyranoside C34H52O10 620.356047 NA MeJP NA NA +MJ086416 Physagulin D C34H52O10 620.356047 NA MeJP NA NA +MJ086417 Pubescenin C34H52O10 620.356047 NA MeJP NA NA +PJ009576 GLLRY C29H48N8O7 620.3646 NA PeJP NA NA +PJ009577 SKKKM C26H52N8O7S 620.368 NA PeJP NA NA +MJ086418 Capuvosine; N-De-Me C39H48N4O3 620.372641 NA MeJP NA NA +PJ009578 PVLHR C28H48N10O6 620.3759 NA PeJP NA NA +MJ086419 Buxoxybenzamine; 7-Deacetoxy, 16?-acetoxy, 2-Ac C37H52N2O6 620.382537 NA MeJP NA NA +MJ086420 Buxoxybenzamine; O-Ac C37H52N2O6 620.382537 NA MeJP NA NA +MJ086421 Buxpapinine C37H52N2O6 620.382537 NA MeJP NA NA +MJ086422 Kopsirachin C37H52N2O6 620.382537 NA MeJP NA NA +MJ086423 Fla-P5 C42H52O4 620.38656 NA MeJP NA NA +PJ009579 VVLKY C31H52N6O7 620.3898 NA PeJP NA NA +MJ086424 16,23:22,25-Diepoxycycloart-7-ene-3,23,24-triol, 7,8?-Dihydro, 3-O-?-D-xylopyranoside C35H56O9 620.392433 NA MeJP NA NA +MJ086425 16,23:24,28-Diepoxy-3-hydroxystigmastan-7-one, 3-O-?-D-Glucopyranoside C35H56O9 620.392433 NA MeJP NA NA +MJ086426 16,24:20,24-Diepoxycycloartane-3,7,25-triol, 3-O-?-D-Xylopyranoside C35H56O9 620.392433 NA MeJP NA NA +MJ086427 2,3,19-Trihydroxy-12-oleanen-28-oic acid, ?-D-Xylopyranosyl ester C35H56O9 620.392433 NA MeJP NA NA +MJ086428 20,24-Epoxy-3,16,25-trihydroxycycloartan-12-one, 3-O-?-D-Xylopyranoside C35H56O9 620.392433 NA MeJP NA NA +MJ086429 3,16,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-L-Arabinopyranoside C35H56O9 620.392433 NA MeJP NA NA +MJ086430 3,19,24-Trihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside C35H56O9 620.392433 NA MeJP NA NA +MJ086431 ?-Ilexanolic acid; 3-O-?-L-Arabinopyranoside C35H56O9 620.392433 NA MeJP NA NA +MJ086432 Cimigenol; 3-O-Xyloside C35H56O9 620.392433 NA MeJP NA NA +MJ086433 Cimigenol; 3-O-?-L-Arabinopyranoside C35H56O9 620.392433 NA MeJP NA NA +MJ086434 Cycloorbigenin; 3-O-?-D-Xylopyranoside C35H56O9 620.392433 NA MeJP NA NA +MJ086435 Dammar-23-ene-3,12,17,20,25-pentol, 3-Malonyl, 12-Ac C35H56O9 620.392433 NA MeJP NA NA +MJ086436 Dammar-25-ene-3,12,17,20,24-pentol, 3-Malonyl ester, 12-Ac C35H56O9 620.392433 NA MeJP NA NA +MJ086437 Shengmanol; 3-O-?-D-Xylopyranoside C35H56O9 620.392433 NA MeJP NA NA +MJ086438 Tomentoside I C35H56O9 620.392433 NA MeJP NA NA +PJ009580 AKKKF C30H52N8O6 620.401 NA PeJP NA NA +MJ086439 12-Oleanene-3,23,28-triol, 23-(3,4-Dihydroxycinnamoyl)(E-) C39H56O6 620.407689 NA MeJP NA NA +MJ086440 12-Oleanene-3,23,28-triol, 3-(3,4-Dihydroxycinnamoyl)(E-) C39H56O6 620.407689 NA MeJP NA NA +MJ086441 14-Serratene-3,21,24,30-tetrol, 30-(4-Hydroxycinnamoyl) C39H56O6 620.407689 NA MeJP NA NA +MJ086442 Ergosterol peroxide; 3-(2-Hydroxy-4-methoxy-6-propylbenzoyl) C39H56O6 620.407689 NA MeJP NA NA +MJ086443 Mirabimides; Mirabimide A C33H56N4O7 620.4149 NA MeJP NA NA +MJ086444 Rakicidin B C33H56N4O7 620.4149 NA MeJP NA NA +MJ086445 Martinelline C33H52N10O2 620.42747 NA MeJP NA NA +MJ086446 12,20-Dihydroxy-3,4-secodammara-4(28),24-dien-3-oic acid; 12?-form, 12-O-?-D-Xylopyranoside, Me ester C36H60O8 620.428818 NA MeJP NA NA +MJ086447 12-Oleanene-3,16,28-triol, 3-O-?-D-Galactopyranoside C36H60O8 620.428818 NA MeJP NA NA +MJ086448 12-Oleanene-3,16,28-triol, 3-O-?-D-Glucopyranoside C36H60O8 620.428818 NA MeJP NA NA +MJ086449 12-Oleanene-3,22,24-triol, 22-O-?-D-Glucopyranoside C36H60O8 620.428818 NA MeJP NA NA +MJ086450 12-Oleanene-3,22,24-triol, 24-O-?-D-Glucopyranoside C36H60O8 620.428818 NA MeJP NA NA +MJ086451 Cucurbita-5,24-diene-3,7,23-triol, 7-O-?-D-Glucopyranoside C36H60O8 620.428818 NA MeJP NA NA +MJ086452 Dammara-20(22),24-diene-3,6,12-triol, 6-O-?-D-Glucopyranoside C36H60O8 620.428818 NA MeJP NA NA +MJ086453 Fasciculic acid B; 12-Deoxy C36H60O8 620.428818 NA MeJP NA NA +MJ086454 Staphinine C42H56N2O2 620.434179 NA MeJP NA NA +MJ086455 Staphisine; 19-Oxo, demethoxy C42H56N2O2 620.434179 NA MeJP NA NA +MJ086456 Efrapeptin A C32H58N7O5 620.449943 NA MeJP NA NA +MJ086457 Aromicin C37H64O7 620.465204 NA MeJP NA NA +MJ086458 Asimin; 24-Epimer, 10-ketone C37H64O7 620.465204 NA MeJP NA NA +MJ086459 Asitribin; 20,24-Diepimer, 28-ketone C37H64O7 620.465204 NA MeJP NA NA +MJ086460 Goniocin C37H64O7 620.465204 NA MeJP NA NA +MJ086461 Mosinone A C37H64O7 620.465204 NA MeJP NA NA +MJ086462 1,3,25,27-Octacosanetetrol, 1-O-?-D-Glucopyranoside C34H68O9 620.486333 NA MeJP NA NA +MJ086463 1,3,25,27-Octacosanetetrol, 1-O-?-D-Mannopyranoside C34H68O9 620.486333 NA MeJP NA NA +MJ086464 1-Pentacosene-4,6,8,10,12,14,16,18,20-nonol, Nona-Me ether C34H68O9 620.486333 NA MeJP NA NA +MJ086465 3,4-Didehydro-1,2-dihydro-1-hydroxy-2-(3-methyl-2-butenyl)-?,?-carotene C45H64O 620.495716 NA MeJP NA NA +MJ086466 5-(1-Hydroxy-1-methylethyl)-2,8,12,16,21,25,29,33-octamethyl-2,6,8,10,12,14,16,18,20,22,24,26,28,32-tetratricontatetradecaene C45H64O 620.495716 NA MeJP NA NA +HMDB05214 DG(18:0/18:2(9Z,12Z)/0:0)[iso2] C39H72O5 620.53796 http://www.hmdb.ca/metabolites/HMDB05214 HMDB NA NA +HMDB05223 DG(16:1(9Z)/20:1(11Z)/0:0)[iso2] C39H72O5 620.53796 http://www.hmdb.ca/metabolites/HMDB05223 HMDB NA NA +HMDB05228 DG(18:1(9Z)/18:1(9Z)/0:0) C39H72O5 620.53796 http://www.hmdb.ca/metabolites/HMDB05228 HMDB NA NA +HMDB05214 DG(18:0/18:2(9Z,12Z)/0:0)[iso2] C39H72O5 620.53796 HMDB05214 PFEM_hmdb_metabocards_official NA NA +HMDB05223 DG(16:1(9Z)/20:1(11Z)/0:0)[iso2] C39H72O5 620.53796 HMDB05223 PFEM_hmdb_metabocards_official NA NA +HMDB05228 DG(18:1(9Z)/18:1(9Z)/0:0) C39H72O5 620.53796 HMDB05228 PFEM_hmdb_metabocards_official NA NA +HMDB07030 DG(14:0/22:2(13Z,16Z)/0:0) C39H72O5 620.537964 NA HMDB2010 NA NA +HMDB07058 DG(14:1(9Z)/22:1(13Z)/0:0) C39H72O5 620.537964 NA HMDB2010 NA NA +HMDB07109 DG(16:0/20:2(11Z,14Z)/0:0) C39H72O5 620.537964 NA HMDB2010 NA NA +HMDB07137 DG(16:1(9Z)/20:1(11Z)/0:0) C39H72O5 620.537964 NA HMDB2010 NA NA +HMDB07161 DG(18:0/18:2(9Z,12Z)/0:0) C39H72O5 620.537964 NA HMDB2010 NA NA +HMDB07188 DG(18:1(11Z)/18:1(11Z)/0:0) C39H72O5 620.537964 NA HMDB2010 NA NA +HMDB07189 DG(18:1(11Z)/18:1(9Z)/0:0) C39H72O5 620.537964 NA HMDB2010 NA NA +HMDB07217 DG(18:1(9Z)/18:1(11Z)/0:0) C39H72O5 620.537964 NA HMDB2010 NA NA +HMDB07218 DG(18:1(9Z)/18:1(9Z)/0:0) C39H72O5 620.537964 NA HMDB2010 NA NA +HMDB07245 DG(18:2(9Z,12Z)/18:0/0:0) C39H72O5 620.537964 NA HMDB2010 NA NA +HMDB07389 DG(20:1(11Z)/16:1(9Z)/0:0) C39H72O5 620.537964 NA HMDB2010 NA NA +HMDB07417 DG(20:2(11Z,14Z)/16:0/0:0) C39H72O5 620.537964 NA HMDB2010 NA NA +HMDB07618 DG(22:1(13Z)/14:1(9Z)/0:0) C39H72O5 620.537964 NA HMDB2010 NA NA +HMDB07646 DG(22:2(13Z,16Z)/14:0/0:0) C39H72O5 620.537964 NA HMDB2010 NA NA +MJ086467 Papakusterol; 3-(4,8,12-Trimethyltridecanoyl) C43H72O2 620.553231 NA MeJP NA NA +MJ086468 2-Nonacosyl-3-tridecene-1,10-diol C42H84O2 620.647131 NA MeJP NA NA +EUR309 Nicotinamide adenine di nucleotide phosphate F2 F2 621.024475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR309 Nicotinamide adenine di nucleotide phosphate F2 NA 621.024475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR309 Nicotinamide adenine di nucleotide phosphate F2 F2 621.024475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR309 Nicotinamide adenine di nucleotide phosphate F2 NA 621.024475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR309 Nicotinamide adenine di nucleotide phosphate F2 F2 621.024475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR309 Nicotinamide adenine di nucleotide phosphate F2 NA 621.024475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR309 Nicotinamide adenine di nucleotide phosphate F2 F2 621.024475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR309 Nicotinamide adénine di nucléotide phosphate F2 F2 621.024475 standards wishlist analysés sur QTOF HMDB NA NA +EUR309 Nicotinamide adenine di nucleotide phosphate F2 F2 621.024475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR309 Nicotinamide adenine di nucleotide phosphate F2 NA 621.024475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR309 Nicotinamide adenine di nucleotide phosphate F2 F2 621.024475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR309 Nicotinamide adenine di nucleotide phosphate F2 F2 621.024475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB11671 ADP-ribose 1''-2'' cyclic phosphate C15H22N5O16P3 621.027466 NA HMDB2010 NA NA +C04427 UDP-N-acetyl-beta-D-mannosaminouronate C17H25N3O18P2 621.0608 NA KEGG NA NA +C04573 UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate C17H25N3O18P2 621.0608 NA KEGG NA NA +C06240 UDP-N-acetyl-D-mannosaminouronate C17H25N3O18P2 621.0608 NA KEGG NA NA +C13952 UDP-N-acetyl-D-galactosaminuronic acid C17H25N3O18P2 621.0608 NA KEGG NA NA +C13953 Transferred to D02177 C17H25N3O18P2 621.0608 NA KEGG NA NA +C13954 Transferred to D02178 C17H25N3O18P2 621.0608 NA KEGG NA NA +C13955 Transferred to D02179 C17H25N3O18P2 621.0608 NA KEGG NA NA +C13956 Transferred to D00107 C17H25N3O18P2 621.0608 NA KEGG NA NA +C13957 Transferred to D02181 C17H25N3O18P2 621.0608 NA KEGG NA NA +MJ086469 UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate C17H25N3O18P2 621.060834 NA MeJP NA NA +MJ086470 UDP-N-acetyl-D-mannosaminouronate C17H25N3O18P2 621.060834 NA MeJP NA NA +MetaCyc03990 UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate [] C17H25N3O18P2 621.060834 NA metacyc NA NA +MetaCyc03991 UDP-N-acetyl-β-D-mannosaminouronate [UDP-N-acetyl-mannosaminouronic acid;UDP-ManNAcA;UDP-N-acetyl-D-mannosaminouronic-acid;UDP-N-acetyl-D-mannosaminouronate;] C17H25N3O18P2 621.060834 NA metacyc NA NA +FL7AACGL0029 Cyanidin 3-(3'',6''-dimalonylglucoside) C27H25O17 621.10917 180129-50-4 knapsack NA NA +MetaCyc03992 cyanidin 3-O-(36\-O-dimalonyl-β-glucopyranoside) [] C27H25O17 621.109174 NA metacyc NA NA +C16289 Cyanidin 3-O-3'',6''-O-dimalonylglucoside C27H25O17 621.1092 NA KEGG NA NA +MJ086471 Micacocidins; Ni complex C27H37N3NiO4S3 621.129966 NA MeJP NA NA +PJ009581 CCCMY C23H35N5O7S4 621.1419 NA PeJP NA NA +HMDB11669 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol C21H36NO18P 621.166992 NA HMDB2010 NA NA +PJ009582 CCEMH C22H35N7O8S3 621.1709 NA PeJP NA NA +PJ009583 CCCFF C27H35N5O6S3 621.175 NA PeJP NA NA +PJ009584 DDDEE C22H31N5O16 621.1766 NA PeJP NA NA +FL7AAAGL0066 Pelargonidin 3-(2'-acetylrutinoside) C29H33O15 621.18194 259813-58-6 knapsack NA NA +PJ009585 GSNDDD C21H31N7O15 621.1878 NA PeJP NA NA +PJ009586 GGGSDDD C21H31N7O15 621.1879 NA PeJP NA NA +PJ009587 GPCCNE C22H35N7O10S2 621.1887 NA PeJP NA NA +PJ009588 ACCYY C27H35N5O8S2 621.1927 NA PeJP NA NA +PJ009589 PCCNW C26H35N7O7S2 621.204 NA PeJP NA NA +PJ009590 NNDEM C22H35N7O12S 621.2065 NA PeJP NA NA +PJ009591 TCMMH C23H39N7O7S3 621.2073 NA PeJP NA NA +PJ009592 SSCYY C27H35N5O10S 621.2105 NA PeJP NA NA +PJ009593 SEEEE C23H35N5O15 621.213 NA PeJP NA NA +PJ009594 PDEMM C24H39N5O10S2 621.2139 NA PeJP NA NA +PJ009595 CNDDR C21H35N9O11S 621.2177 NA PeJP NA NA +PJ009596 GNDMW C26H35N7O9S 621.2217 NA PeJP NA NA +PJ009597 GSSNEE C22H35N7O14 621.2242 NA PeJP NA NA +PJ009598 GSPCQM C23H39N7O9S2 621.2251 NA PeJP NA NA +PJ009599 PDDEF C27H35N5O12 621.2282 NA PeJP NA NA +PJ009600 VDEEM C24H39N5O12S 621.2316 NA PeJP NA NA +PJ009601 PCEHH C25H35N9O8S 621.233 NA PeJP NA NA +PJ009602 SSSNNN C21H35N9O13 621.2354 NA PeJP NA NA +PJ009603 GGSSSNN C21H35N9O13 621.2355 NA PeJP NA NA +PJ009604 GSPCCR C22H39N9O8S2 621.2363 NA PeJP NA NA +PJ009605 CQWW C30H35N7O6S 621.237 NA PeJP NA NA +PJ009606 SSNEW C26H35N7O11 621.2395 NA PeJP NA NA +PJ009607 GMMHF C27H39N7O6S2 621.2403 NA PeJP NA NA +PJ009608 SQQEM C23H39N7O11S 621.2428 NA PeJP NA NA +PJ009609 GGTQEM C23H39N7O11S 621.2429 NA PeJP NA NA +PJ009610 NYYY C31H35N5O9 621.2435 NA PeJP NA NA +PJ009611 PPDMY C28H39N5O9S 621.2469 NA PeJP NA NA +PJ009612 NNNNF C25H35N9O10 621.2507 NA PeJP NA NA +PJ009613 SNDMR C22H39N9O10S 621.2541 NA PeJP NA NA +PJ009614 GSSWW C30H35N7O8 621.2547 NA PeJP NA NA +PJ009615 GTQMW C27H39N7O8S 621.2581 NA PeJP NA NA +PJ009616 GSSDKE C23H39N7O13 621.2606 NA PeJP NA NA +PJ009617 VNQMM C24H43N7O8S2 621.2615 NA PeJP NA NA +PJ009618 SNQHH C24H35N11O9 621.2619 NA PeJP NA NA +PJ009619 GGSQHH C24H35N11O9 621.262 NA PeJP NA NA +PJ009620 PVDEY C28H39N5O11 621.2646 NA PeJP NA NA +PJ009621 PPMMF C29H43N5O6S2 621.2655 NA PeJP NA NA +PJ009622 TLEEM C25H43N5O11S 621.268 NA PeJP NA NA +PJ009623 PLMMM C26H47N5O6S3 621.2689 NA PeJP NA NA +PJ009624 GTCRW C26H39N9O7S 621.2693 NA PeJP NA NA +PJ009625 GSSSER C22H39N9O12 621.2718 NA PeJP NA NA +PJ009626 GQMMR C23H43N9O7S2 621.2727 NA PeJP NA NA +PJ009627 CKWW C31H39N7O5S 621.2734 NA PeJP NA NA +PJ009628 STTQW C27H39N7O10 621.2758 NA PeJP NA NA +PJ009629 SSDKW C27H39N7O10 621.2759 NA PeJP NA NA +PJ009630 SQKEM C24H43N7O10S 621.2792 NA PeJP NA NA +PJ009631 PPDFF C32H39N5O8 621.2799 NA PeJP NA NA +PJ009632 PVEMF C29H43N5O8S 621.2833 NA PeJP NA NA +PJ009633 GCMRR C22H43N11O6S2 621.284 NA PeJP NA NA +PJ009634 VLEMM C26H47N5O8S2 621.2866 NA PeJP NA NA +PJ009635 SSSRW C26H39N9O9 621.2871 NA PeJP NA NA +PJ009636 STQMR C23H43N9O9S 621.2905 NA PeJP NA NA +PJ009637 AAQFW C31H39N7O7 621.2911 NA PeJP NA NA +MJ086472 1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 9-benzoyl, 8-(2-methylbutanoyl), 1-Ac C35H43NO9 621.293781 NA MeJP NA NA +PJ009638 GTKMW C28H43N7O7S 621.2945 NA PeJP NA NA +MJ086473 Rugosanine B C36H39N5O5 621.295119 NA MeJP NA NA +PJ009639 GSTTKE C24H43N7O12 621.297 NA PeJP NA NA +PJ009640 VNKMM C25H47N7O7S2 621.2979 NA PeJP NA NA +PJ009641 SNKHH C25H39N11O8 621.2983 NA PeJP NA NA +PJ009642 PTLEY C29H43N5O10 621.301 NA PeJP NA NA +PJ009643 STCRR C22H43N11O8S 621.3017 NA PeJP NA NA +C02334 Z-Arg-Arg-NHMec C30H39N9O6 621.3023 NA KEGG NA NA +PJ009644 NFRW C30H39N9O6 621.3023 NA PeJP NA NA +PJ009645 GGFRW C30H39N9O6 621.3024 NA PeJP NA NA +2861 fragment of human as1-casein YVPFP 621.303 antibacterial Inhouse_peptide NA peptide +PJ009646 VVMHH C27H43N9O6S 621.3057 NA PeJP NA NA +PJ009647 GSTTTR C23H43N9O11 621.3082 NA PeJP NA NA +PJ009648 GKMMR C24H47N9O6S2 621.3091 NA PeJP NA NA +PJ009649 STTKW C28H43N7O9 621.3122 NA PeJP NA NA +PJ009650 GGPTKY C28H43N7O9 621.3123 NA PeJP NA NA +PJ009651 SKKEM C25H47N7O9S 621.3156 NA PeJP NA NA +PJ009652 PPVFY C33H43N5O7 621.3163 NA PeJP NA NA +PJ009653 PVLMY C30H47N5O7S 621.3196 NA PeJP NA NA +PJ009654 GVQRY C27H43N9O8 621.3235 NA PeJP NA NA +PJ009655 STKMR C24H47N9O8S 621.3268 NA PeJP NA NA +PJ009656 AAKFW C32H43N7O6 621.3275 NA PeJP NA NA +PJ009657 PCKKF C29H47N7O6S 621.3309 NA PeJP NA NA +PJ009658 SSSTLK C25H47N7O11 621.3334 NA PeJP NA NA +PJ009659 CLKKM C26H51N7O6S2 621.3342 NA PeJP NA NA +PJ009660 QRRY C26H43N11O7 621.3347 NA PeJP NA NA +PJ009661 VVLEY C30H47N5O9 621.3374 NA PeJP NA NA +3607 heparin-binding peptide WQWRAKKLGA 621.342 MH2+ Inhouse_peptide NA peptide +PJ009662 GPHRR C25H43N13O6 621.346 NA PeJP NA NA +PJ009663 SPKKY C29H47N7O8 621.3486 NA PeJP NA NA +PJ009664 PVLFF C34H47N5O6 621.3527 NA PeJP NA NA +PJ009665 VLLMF C31H51N5O6S 621.356 NA PeJP NA NA +2924 neuropeptide from eyestalk of Macrobrachium rosenb DRTPALRLRF~ 621.35895 MH2+ Inhouse_peptide NA peptide +PJ009666 GVKRY C28H47N9O7 621.3599 NA PeJP NA NA +PJ009667 KRRY C27H47N11O6 621.3711 NA PeJP NA NA +PJ009668 TLLLY C31H51N5O8 621.3738 NA PeJP NA NA +MJ086474 Septacidin C30H51N7O7 621.384997 NA MeJP NA NA +MJ086475 Spicamycin C30H51N7O7 621.384997 NA MeJP NA NA +C15751 Spicamycin C30H51N7O7 621.385 NA KEGG NA NA +C15754 Septacidin C30H51N7O7 621.385 NA KEGG NA NA +PJ009669 ALKKY C30H51N7O7 621.385 NA PeJP NA NA +MJ086476 Antibiotic 6108D C34H55NO9 621.387682 NA MeJP NA NA +PJ009670 PLKKH C29H51N9O6 621.3963 NA PeJP NA NA +EUR782 Lyso PC 22:2 [M+FA-H]- C30H58NO7P 621.399972 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR782 Lyso PC 22:2 [M+FA-H]- C30H58NO7P 621.399972 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR782 Lyso PC 22:2 [M+FA-H]- C30H58NO7P 621.399972 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR782 Lyso PC 22:2 [M+FA-H]- C30H58NO7P 621.399972 masses lipides attendues Inhousejuil11 NA NA +MJ086477 Myxovirescin A; Myxovirescin A1, 2,3-Didehydro C35H59NO8 621.424067 NA MeJP NA NA +MJ086478 Myxovirescin N1 C35H59NO8 621.424067 NA MeJP NA NA +MJ086479 Pamamycin; Pamamycin 621A C36H63NO7 621.460453 NA MeJP NA NA +MJ086480 Pamamycin; Pamamycin 621B C36H63NO7 621.460453 NA MeJP NA NA +MJ086481 Pamamycin; Pamamycin 621C C36H63NO7 621.460453 NA MeJP NA NA +MJ086482 Pamamycin; Pamamycin 621D C36H63NO7 621.460453 NA MeJP NA NA +MJ086483 2-Amino-15-methyl-4-hexadecene-1,3-diol, N-(21-Methyldocosanoyl) C40H79NO3 621.605995 NA MeJP NA NA +MJ086484 2-Amino-15-methyl-4-hexadecene-1,3-diol, N-Tricosanoyl C40H79NO3 621.605995 NA MeJP NA NA +MJ086485 2-Amino-16-methyl-4-heptadecene-1,3-diol, N-Docosanoyl C40H79NO3 621.605995 NA MeJP NA NA +MJ086486 2-Amino-4-octadecene-1,3-diol, N-Docosanoyl C40H79NO3 621.605995 NA MeJP NA NA +HMDB04952 Ceramide (d18:1/22:0) C40H79NO3 621.606018 NA HMDB2010 NA NA +HMDB11766 Cer(d18:0/22:1(13Z)) C40H79NO3 621.606018 NA HMDB2010 NA NA +HMDB04952 Ceramide (d18:1/22:0) C40H79NO3 621.60602 http://www.hmdb.ca/metabolites/HMDB04952 HMDB NA NA +HMDB04952 Ceramide (d18:1/22:0) C40H79NO3 621.60602 HMDB04952 PFEM_hmdb_metabocards_official NA NA +3598 heparin-binding peptide WQCRMKKCGA 621.7622 MH2+ Inhouse_peptide NA peptide +MJ086487 Tiratricol C14H9I3O4 621.763489 NA MeJP NA NA +2644 synthetic fr, of human beta-CN, ACE inhibitor TDQHQDKIYP 621.7839 MH2+ Inhouse_peptide NA peptide +2921 neuropeptide from eyestalk of Macrobrachium rosenb GGRSPSLRLRF~ 621.8565 MH2+ Inhouse_peptide NA peptide +MJ086488 3,3',4',5,7-Pentahydroxyflavone; 3,3',4',7-Tetra-O-sulfate C15H10O19S4 621.86991 NA MeJP NA NA +FL5FACNSS010 Quercetin 3,7,3',4'-tetra-O-sulfate C15H10O19S4 621.86991 37791-22-3 knapsack NA NA +C04418 N-Acetyl-L-phenylalanyl-L-diiodotyrosine C20H20I2N2O5 621.9462 NA KEGG NA NA +C04419 Carboxybiotin-carboxyl-carrier protein C18H26N5O6SR2 621.9462 NA KEGG NA NA +FL3FFAGSS004 8-Hydroxyapigenin 8-(2'',4''-disulfatoglucuronide);5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl beta-D-Glucopyranosiduronic acid 2,4-bis(hydrogen sulfate) C21H18O18S2 621.99345 351224-00-5 knapsack NA NA +MJ086489 4',5,7,8-Tetrahydroxyflavone; 8-O-(2,4-Di-O-sulfo-?-D-glucuronopyranoside) C21H18O18S2 621.993455 NA MeJP NA NA +MJ086490 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-(Disulfo-?-D-glucopyranoside) C22H22O17S2 622.02984 NA MeJP NA NA +MJ086491 Diphyllin; 6-Bromo-3,4-dimethoxybenzoyl C30H23BrO10 622.047459 NA MeJP NA NA +MJ086492 Beticolin 0 C31H23ClO12 622.087803 NA MeJP NA NA +MJ086493 Cebetin A; 14',15'-Deepoxy, 14',15'-didehydro C31H23ClO12 622.087803 NA MeJP NA NA +MJ086494 Pentaphlorethol A C30H22O15 622.09587 NA MeJP NA NA +FL3FAAGS0025 Apigenin 7-glucuronosyl-(1->2)-glucuronide C27H26O17 622.11699 74696-01-8 knapsack NA NA +FL3FAAGS0027 Apigenin 7,4'-diglucuronide C27H26O17 622.11699 51008-82-3 knapsack NA NA +MJ086495 4',5,7-Trihydroxyflavone; 4',7-Di-O-?-D-glucuronopyranoside C27H26O17 622.116999 NA MeJP NA NA +MJ086496 4',5,7-Trihydroxyflavone; 7-O-[?-D-Galacturonopyranosyl-(1??)-?-D-galacturonopyranoside] C27H26O17 622.116999 NA MeJP NA NA +MJ086497 4',5,7-Trihydroxyflavone; 7-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C27H26O17 622.116999 NA MeJP NA NA +MJ086498 5-(Hydroxymethyl)-1,2,3-benzenetriol; 2-O-(4,6-Di-O-galloyl-?-D-glucopyranoside) C27H26O17 622.116999 NA MeJP NA NA +MJ086499 5-(Hydroxymethyl)-1,2,3-benzenetriol; 2-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside], 1'-O-(3,4,5-trihydroxybenzoyl) C27H26O17 622.116999 NA MeJP NA NA +MJ086500 Micacocidins; Co complex C27H37CoN3O4S3 622.127818 NA MeJP NA NA +MJ086501 3,18-Dihydroxy-11-oxo-12-oleanen-30-oic acid, 30?18 Lactone, 3-ketone, 2,2-dibromo C30H40Br2O4 622.129335 NA MeJP NA NA +MJ086502 Calcein C30H26N2O13 622.143488 NA MeJP NA NA +MJ086503 6''-Prenylamentoflavone; ?11''-Isomer, 10''-hydroxy C35H26O11 622.147511 NA MeJP NA NA +FL3FADGS0016 Luteolin 3'-methyl ether 7-glucuronide-4'-rhamnoside C28H30O16 622.15338 58970-79-9 knapsack NA NA +FL3FECGS0041 6-Hydroxyluteolin 3'-methyl ether 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C28H30O16 622.15338 151750-86-6 knapsack NA NA +FL5FAAGA0031 Kaempferol 3-[2'''-acetyl-alpha-L-arabinopyranosyl-(1->6)-galactoside] C28H30O16 622.15338 - knapsack NA NA +FL5FAAGS0118 Kaempferol 3-(3''-acetyl-alpha-L-arabinopyranosyl)-(1->6)-glucoside;3-[[6-O-(3-O-Acetyl-alpha-L-arabinopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C28H30O16 622.15338 329319-01-9 knapsack NA NA +MJ086504 3',4',5,7-Tetrahydroxyisoflavone; 3',4'-Methylene ether, 7-O-[?-D-glucosylpyranosyl-(1??)-?-D-glucopyranoside] C28H30O16 622.153384 NA MeJP NA NA +MJ086505 3,4',5,7-Tetrahydroxyflavone; 3-O-[2-O-Acetyl-?-L-arabinopyranosyl-(1?6)-?-D-galactopyranoside] C28H30O16 622.153384 NA MeJP NA NA +MJ086506 4',5,6,7-Tetrahydroxy-3'-methoxyflavone; 7-O-[6-O-(3-Hydroxy-3-methylglutaryl)-?-D-glucopyranoside] C28H30O16 622.153384 NA MeJP NA NA +MJ086507 4',5,7-Trihydroxy-3'-methoxyflavone; 4'-O-?-L-Rhamnopyranoside, 7-O-?-D-glucuronopyranoside C28H30O16 622.153384 NA MeJP NA NA +MJ086508 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranoside] C28H30O16 622.153384 NA MeJP NA NA +MJ086509 5,6,7-Trihydroxyflavone; 7-Me ether, 5-O-[?-D-glucuronopyranosyl-(1??)-?-D-glucopyranoside] C28H30O16 622.153384 NA MeJP NA NA +MJ086510 Trifolin; 6''-O-(2-O-Acetyl-?-L-arabinopyranosyl) C28H30O16 622.153384 NA MeJP NA NA +MJ086511 Trifolin; 7-O-?-Arabinopyranoside, 2''-Ac C28H30O16 622.153384 NA MeJP NA NA +PJ009671 GTCCCH C21H34N8O8S3 622.1662 NA PeJP NA NA +FL1C3AGS0004 4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-p-coumaroyl-6''-O-acetyl)glucoside C32H30O13 622.16864 597550-51-1 knapsack NA NA +FL2FAAGS0025 Naringenin 7-[3-acetyl-6-p-coumaroylglucoside];5,7,4'-Trihydroxyflavanone 7-[3-acetyl-6-p-coumaroylglucoside] C32H30O13 622.16864 - knapsack NA NA +FL5FCBGL0002 Kaempferol 7,4'-dimethyl ether 3-(6''-(E)-p-coumarylglucoside) C32H30O13 622.16864 - knapsack NA NA +MJ086512 3,5-Dihydroxy-4',7-dimethoxyflavone; 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] C32H30O13 622.168641 NA MeJP NA NA +MJ086513 4',5,7-Trihydroxyflavanone, 7-O-[4-Hydroxycinnamoyl-(?6)-3-O-acetyl-?-D-glucopyranoside] C32H30O13 622.168641 NA MeJP NA NA +PJ009672 GSDDDD C21H30N6O16 622.1719 NA PeJP NA NA +PJ009673 GPCCDE C22H34N6O11S2 622.1727 NA PeJP NA NA +MJ086514 Beccapoline; N6-Me C38H27N2O7(+) 622.174001 NA MeJP NA NA +MJ086515 Amentoflavone; Hexa-Me ether C36H30O10 622.183897 NA MeJP NA NA +PJ009674 SSSCCH C21H34N8O10S2 622.184 NA PeJP NA NA +PJ009675 PCCDW C26H34N6O8S2 622.188 NA PeJP NA NA +MJ086516 1,3,6,8-Tetrahydroxy-2-methylanthraquinone; 6,8-Di-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O15 622.18977 NA MeJP NA NA +MJ086517 3',4',7-Trihydroxyisoflavone; 3',4'-Di-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] C29H34O15 622.18977 NA MeJP NA NA +MJ086518 3,4-Dihydroxyphenylacetaldehyde; Enol-form, 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C29H34O15 622.18977 NA MeJP NA NA +MJ086519 4',5,6,7-Tetrahydroxyisoflavone; 6,7-Di-Me ether, 4'-O-[?-L-rhamnopyranosyl-(1??)-?-D-glucopyranoside] C29H34O15 622.18977 NA MeJP NA NA +MJ086520 4',5-Dihydroxy-3,7-dimethoxyflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O15 622.18977 NA MeJP NA NA +MJ086521 4',5-Dihydroxy-6,7-dimethoxyflavone; 4'-O-Rutinoside C29H34O15 622.18977 NA MeJP NA NA +MJ086522 4',6,7-Trihydroxyisoflavone; 4',6-Di-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] C29H34O15 622.18977 NA MeJP NA NA +MJ086523 4',7,8-Trihydroxyisoflavone; 4',8-Di-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-D-glucopyranoside] C29H34O15 622.18977 NA MeJP NA NA +MJ086524 5,6-Dihydroxy-4',7-dimethoxyflavone; 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C29H34O15 622.18977 NA MeJP NA NA +MJ086525 5,7-Dihydroxy-3',4'-dimethoxyflavone; 7-O-Neohesperidoside C29H34O15 622.18977 NA MeJP NA NA +MJ086526 5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C29H34O15 622.18977 NA MeJP NA NA +MJ086527 5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O15 622.18977 NA MeJP NA NA +MJ086528 5,7-Dihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] C29H34O15 622.18977 NA MeJP NA NA +MJ086529 5-Hydroxy-3',4',7-trimethoxyflavone; 5-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O15 622.18977 NA MeJP NA NA +MJ086530 7-Hydroxy-3',4',5-trimethoxyflavone; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O15 622.18977 NA MeJP NA NA +MJ086531 Crenatoside C29H34O15 622.18977 NA MeJP NA NA +MJ086532 Sucrose; 3'-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 4-O-benzoyl C29H34O15 622.18977 NA MeJP NA NA +MJ086533 Sucrose; 3'-O-(4-Hydroxy-3-methoxycinnamoyl), 6-O-benzoyl C29H34O15 622.18977 NA MeJP NA NA +MJ086534 Swertisin; 2''-O-?-D-Glucopyranosyl, 4'-Me ether C29H34O15 622.18977 NA MeJP NA NA +MJ086535 Swertisin; 4'-Me ether, 5-O-?-D-glucopyranoside C29H34O15 622.18977 NA MeJP NA NA +FL3F4AGS0001 6,8-Dihydroxy-7,4'-dimethoxyflavone 6-rutinoside;Dicliripariside C;6-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-8-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C29H34O15 622.18977 491613-67-3 knapsack NA NA +FL3FBFGS0001 7,5',4'-Trimethoxyflavone 7-xylosyl-(1->6)-glucoside;2-(3,4-Dimethoxyphenyl)-5-methoxy-7-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one C29H34O15 622.18977 251660-69-2 knapsack NA NA +FL3FCBCS0006 Embinoidin C29H34O15 622.18977 88721-10-2 knapsack NA NA +FL3FEAGS0019 Scutellarein 6,7-dimethyl ether 4'-rutinoside C29H34O15 622.18977 32214-78-1 knapsack NA NA +FL3FEAGS0024 Pectolinarigenin 7-rutinoside C29H34O15 622.18977 28978-02-1 knapsack NA NA +FL3FEAGS0037 Scutellarein 7,4'-dimethyl ether 6-rhamnosyl-(1->2)-glucoside C29H34O15 622.18977 149998-38-9 knapsack NA NA +FL5FCBGS0001 Kaempferol 7,4'-dimethyl ether 3-neohesperidoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C29H34O15 622.18977 318498-23-6 knapsack NA NA +FLIA1CGS0005 Cladrin 7-O-laminaribioside C29H34O15 622.18977 - knapsack NA NA +FLIA2AGS0005 Afrormosin 7-O-laminaribioside C29H34O15 622.18977 68862-17-9 knapsack NA NA +FLIA3AGS0003 8-O-Methylretusin 7-O-laminaribioside C29H34O15 622.18977 56222-46-9 knapsack NA NA +PJ009676 NDDEM C22H34N6O13S 622.1905 NA PeJP NA NA +PJ009677 PPTCCC C23H38N6O8S3 622.1914 NA PeJP NA NA +PJ009678 CCNHF C25H34N8O7S2 622.1992 NA PeJP NA NA +PJ009679 CDDDR C21H34N8O12S 622.2017 NA PeJP NA NA +PJ009680 GDDMW C26H34N6O10S 622.2057 NA PeJP NA NA +PJ009681 GSSDEE C22H34N6O15 622.2082 NA PeJP NA NA +PJ009682 GSPCEM C23H38N6O10S2 622.2091 NA PeJP NA NA +MJ086536 2',4'-Dihydroxyacetophenone; 4'-Me ether, O-[?-L-arabinopyranosyl-(1?6)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C26H38O17 622.210899 NA MeJP NA NA +PJ009683 SCNNW C25H34N8O9S 622.217 NA PeJP NA NA +PJ009684 SSSNND C21H34N8O14 622.2195 NA PeJP NA NA +PJ009685 NNNMM C22H38N8O9S2 622.2203 NA PeJP NA NA +PJ009686 GGGGNMM C22H38N8O9S2 622.2204 NA PeJP NA NA +PJ009687 CEWW C30H34N6O7S 622.221 NA PeJP NA NA +PJ009688 SSDEW C26H34N6O12 622.2235 NA PeJP NA NA +PJ009689 SPCMW C27H38N6O7S2 622.2244 NA PeJP NA NA +MJ086537 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C30H38O14 622.226155 NA MeJP NA NA +MJ086538 8,17-Epoxy-2,3,4,9,14-pentahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, penta-Ac C30H38O14 622.226155 NA MeJP NA NA +MJ086539 8,17-Epoxy-2,3,9,13,14-pentahydroxy-5,11-briaradien-18,7-olide, 11?,12?-Epoxide, 2,3,9,13,14-penta-Ac C30H38O14 622.226155 NA MeJP NA NA +MJ086540 8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 16-acetoxy, 2,4,9,14-tetra-Ac C30H38O14 622.226155 NA MeJP NA NA +MJ086541 Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-(2-O-cinnamoyl-?-L-rhamnopyranoside) C30H38O14 622.226155 NA MeJP NA NA +MJ086542 Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-(3-O-cinnamoyl-?-L-rhamnopyranoside) C30H38O14 622.226155 NA MeJP NA NA +MJ086543 Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-(4-O-cinnamoyl-?-L-rhamnopyranoside) C30H38O14 622.226155 NA MeJP NA NA +MJ086544 Azadirachtin; 11-Deoxy, O1-detigloyl C30H38O14 622.226155 NA MeJP NA NA +MJ086545 Neoolivil; 4-O-?-D-Glucopyranoside, 9,9'-di-Ac C30H38O14 622.226155 NA MeJP NA NA +PJ009690 SQEEM C23H38N6O12S 622.2269 NA PeJP NA NA +MJ086546 Fluvibactin C31H34N4O10 622.227493 NA MeJP NA NA +MJ086547 Saframycin R C31H34N4O10 622.227493 NA MeJP NA NA +PJ009691 DYYY C31H34N4O10 622.2275 NA PeJP NA NA +PJ009692 PNMMM C24H42N6O7S3 622.2277 NA PeJP NA NA +MJ086548 Maytansinol; 15R-Hydroxy, 3-Ac C30H39ClN2O10 622.229323 NA MeJP NA NA +MJ086549 Maytansinol; 15S-Hydroxy, 3-Ac C30H39ClN2O10 622.229323 NA MeJP NA NA +MJ086550 Maytansinol; 30-Hydroxy, 3-Ac C30H39ClN2O10 622.229323 NA MeJP NA NA +MJ086551 Punjabine; Carboxylic acid, Me ester C36H34N2O8 622.231516 NA MeJP NA NA +PJ009693 CCNQR C21H38N10O8S2 622.2316 NA PeJP NA NA +PJ009694 NNNDF C25H34N8O11 622.2347 NA PeJP NA NA +PJ009695 GGGGGGDF C25H34N8O11 622.2348 NA PeJP NA NA +PJ009696 SDDMR C22H38N8O11S 622.2381 NA PeJP NA NA +PJ009697 GTEMW C27H38N6O9S 622.2421 NA PeJP NA NA +PJ009698 GSTTEE C23H38N6O14 622.2446 NA PeJP NA NA +PJ009699 VNEMM C24H42N6O9S2 622.2455 NA PeJP NA NA +PJ009700 SNEHH C24H34N10O10 622.246 NA PeJP NA NA +PJ009701 MFYY C32H38N4O7S 622.2461 NA PeJP NA NA +PJ009702 GSSCNR C21H38N10O10S 622.2493 NA PeJP NA NA +MJ086552 Deserpideine; 11-Methoxy, Nb-Oxide C33H38N2O10 622.252645 NA MeJP NA NA +C11294 Irinotecan hydrochloride C33H38N4O6 622.2558 NA KEGG NA NA +PJ009703 SSSSQQ C22H38N8O13 622.2558 NA PeJP NA NA +PJ009704 GGSSSTQ C22H38N8O13 622.2559 NA PeJP NA NA +PJ009705 GEMMR C23H42N8O8S2 622.2567 NA PeJP NA NA +PJ009706 TMWW C31H38N6O6S 622.2574 NA PeJP NA NA +PJ009707 STTEW C27H38N6O11 622.2599 NA PeJP NA NA +PJ009708 ACLMW C28H42N6O6S2 622.2607 NA PeJP NA NA +PJ009709 GVMMW C28H42N6O6S2 622.2608 NA PeJP NA NA +PJ009710 GSHHW C28H34N10O7 622.2612 NA PeJP NA NA +MJ086553 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 14-(2-methylbutanoyl), 1,2,6-tri-Ac C31H42O13 622.262541 NA MeJP NA NA +MJ086554 1,6,15-Trihydroxy-3,11(13)-eudesmadien-12-oic acid, 1-[2-Hydroxy-3-(4-hydroxyphenyl)propanoyl], 15-O-?-D-glucopyranoside, Me ester C31H42O13 622.262541 NA MeJP NA NA +MJ086555 8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 12-Propanoyl, 2,3,9,14-tetra-Ac C31H42O13 622.262541 NA MeJP NA NA +MJ086556 Helmanticin; 3'-Deangeloyl, 3'-O-[3-(angeloyloxy)-2-hydroxy-2-methylbutanoyl] C31H42O13 622.262541 NA MeJP NA NA +PJ009711 SKEEM C24H42N6O11S 622.2632 NA PeJP NA NA +PJ009712 TDKEM C24H42N6O11S 622.2633 NA PeJP NA NA +PJ009713 AQMHH C25H38N10O7S 622.2646 NA PeJP NA NA +MJ086557 Cepharanthine; N2'-Oxide (?-) C37H38N2O7 622.267901 NA MeJP NA NA +MJ086558 Dielsine C37H38N2O7 622.267901 NA MeJP NA NA +MJ086559 Fangchinoline, 1,3,4-Tridehydro, hydroxide C37H38N2O7 622.267901 NA MeJP NA NA +MJ086560 Oxandrine C37H38N2O7 622.267901 NA MeJP NA NA +MJ086561 Pseudorepanduline C37H38N2O7 622.267901 NA MeJP NA NA +MJ086562 Pseudoxandrine C37H38N2O7 622.267901 NA MeJP NA NA +MJ086563 Somniferine; 3-Me ether C37H38N2O7 622.267901 NA MeJP NA NA +MJ086564 Tenuipine, O7-De-Me C37H38N2O7 622.267901 NA MeJP NA NA +MJ086565 Thalmiculimine C37H38N2O7 622.267901 NA MeJP NA NA +MJ086566 Thalsimidine C37H38N2O7 622.267901 NA MeJP NA NA +MJ086567 Fenfangjine H C37H39N2O7(+) 622.267901 NA MeJP NA NA +PJ009714 CCNKR C22H42N10O7S2 622.268 NA PeJP NA NA +MJ086568 Allosamidin C25H42N4O14 622.269752 NA MeJP NA NA +C05346 Allosamidine C25H42N4O14 622.2698 NA KEGG NA NA +C05347 Phosphonoacetohydroxamate C25H42N4O14 622.2698 NA KEGG NA NA +C05348 Phosphoglycolohydroxamate C25H42N4O14 622.2698 NA KEGG NA NA +PJ009715 GQQQY C26H38N8O10 622.2711 NA PeJP NA NA +PJ009716 MMRW C27H42N8O5S2 622.272 NA PeJP NA NA +PJ009717 STEMR C23H42N8O10S 622.2745 NA PeJP NA NA +PJ009718 GPTYW C31H38N6O8 622.2751 NA PeJP NA NA +PJ009719 ACHHR C24H38N12O6S 622.2758 NA PeJP NA NA +MJ086569 13,17-Epoxy-4(20),11-taxadiene-2,5,9,10,13-pentol, 5-Cinnamoyl(E-), 2,9,10-tri-Ac C35H42O10 622.277797 NA MeJP NA NA +MJ086570 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-Cinnamoyl, 2,7,13-tri-Ac C35H42O10 622.277797 NA MeJP NA NA +MJ086571 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-Cinnamoyl, 7,10,13-tri-Ac C35H42O10 622.277797 NA MeJP NA NA +MJ086572 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 11?,12?-Epoxide, 5-cinnamoyl, 2,9,10-tri-Ac C35H42O10 622.277797 NA MeJP NA NA +MJ086573 4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 13-Ketone, 5-cinnamoyl(E-), 2,7,9-tri-Ac C35H42O10 622.277797 NA MeJP NA NA +MJ086574 Taxuspine C; 1-Hydroxy C35H42O10 622.277797 NA MeJP NA NA +PJ009720 SSLMW C28H42N6O8S 622.2785 NA PeJP NA NA +PJ009721 FFFY C36H38N4O6 622.2792 NA PeJP NA NA +PJ009722 SSSTLE C24H42N6O13 622.281 NA PeJP NA NA +PJ009723 VDKMM C25H46N6O8S2 622.2819 NA PeJP NA NA +PJ009724 GNNRY C25H38N10O9 622.2823 NA PeJP NA NA +PJ009725 GGGNRY C25H38N10O9 622.2824 NA PeJP NA NA +PJ009726 DFRW C30H38N8O7 622.2864 NA PeJP NA NA +PJ009727 GPMRY C27H42N8O7S 622.2897 NA PeJP NA NA +PJ009728 GPPCLH C27H42N8O7S 622.2898 NA PeJP NA NA +PJ009729 SSSSQK C23H42N8O12 622.2922 NA PeJP NA NA +PJ009730 SVMMR C24H46N8O7S2 622.2931 NA PeJP NA NA +PJ009731 SSHHR C24H38N12O8 622.2936 NA PeJP NA NA +PJ009732 SPKEY C28H42N6O10 622.2963 NA PeJP NA NA +MJ086575 2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-Hexanoyl, 3-angeloyl, 8-butanoyl, 10-Ac C32H46O12 622.298926 NA MeJP NA NA +MJ086576 2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-(3-Methylbutanoyl), 3-angeloyl, 8-(2-methylbutanoyl), 10-Ac C32H46O12 622.298926 NA MeJP NA NA +MJ086577 3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-?-D-Glucopyranoside, 6-Ac C32H46O12 622.298926 NA MeJP NA NA +MJ086578 4,18:11,16:15,16-Triepoxy-14-clerodene-2,6,19-triol, 19-[3S-(3S-Acetoxybutanoyloxy)butanoyl], 6-Ac C32H46O12 622.298926 NA MeJP NA NA +MJ086579 4,18:8,13-Diepoxy-1,6,11,12-tetrahydroxy-15,16-clerodanolide, 1,12-Bis(methylpropanoyl), 6,11-di-Ac C32H46O12 622.298926 NA MeJP NA NA +MJ086580 8,17-Epoxy-2,3,4,9,11,12-hexahydroxy-5,13-briaradien-18,7-olide, 4-Octanoyl, 2,9-di-Ac C32H46O12 622.298926 NA MeJP NA NA +MJ086581 Premyrsinol; 5-(2-Methylpropanoyl), 3,7,13,17-tri-Ac C32H46O12 622.298926 NA MeJP NA NA +MJ086582 p-Mentha-1,3,5-triene-2,3-diol; 3-O-[3-O-Angeloyl-?-D-fucopyranosyl-(1?3)-4-O-angeloyl-?-D-fucopyranoside] C32H46O12 622.298926 NA MeJP NA NA +PJ009733 GTTTLM C25H46N6O10S 622.2996 NA PeJP NA NA +PJ009734 AKMHH C26H42N10O6S 622.301 NA PeJP NA NA +MJ086583 12-O-Methylcurine, Me ether C38H42N2O6 622.304287 NA MeJP NA NA +MJ086584 6',7,12'-Trimethoxy-2,2'-dimethyloxyacanth-6-ol, Me ether C38H42N2O6 622.304287 NA MeJP NA NA +MJ086585 Antioquine, 12'-Me ether C38H42N2O6 622.304287 NA MeJP NA NA +MJ086586 Cycleaneonine C38H42N2O6 622.304287 NA MeJP NA NA +MJ086587 Cycleanine C38H42N2O6 622.304287 NA MeJP NA NA +MJ086588 Isotetrandrine C38H42N2O6 622.304287 NA MeJP NA NA +MJ086589 Isothalicberine; Me ether C38H42N2O6 622.304287 NA MeJP NA NA +MJ086590 Limacusine, Me ether C38H42N2O6 622.304287 NA MeJP NA NA +MJ086591 Melanthioidine C38H42N2O6 622.304287 NA MeJP NA NA +MJ086592 O-Methylrepandine C38H42N2O6 622.304287 NA MeJP NA NA +MJ086593 Obaberine C38H42N2O6 622.304287 NA MeJP NA NA +MJ086594 Pakistanamine C38H42N2O6 622.304287 NA MeJP NA NA +MJ086595 Pakistanine; O1-Me C38H42N2O6 622.304287 NA MeJP NA NA +MJ086596 Rodiasine C38H42N2O6 622.304287 NA MeJP NA NA +MJ086597 Tetrandrine C38H42N2O6 622.304287 NA MeJP NA NA +MJ086598 Thalicberine; Me ether C38H42N2O6 622.304287 NA MeJP NA NA +MJ086599 Thalmine; Me ether C38H42N2O6 622.304287 NA MeJP NA NA +MJ086600 Tiliageine; O7-Me C38H42N2O6 622.304287 NA MeJP NA NA +MJ086601 Warifteine; Di-Me ether, dihydro C38H42N2O6 622.304287 NA MeJP NA NA +MJ086602 Berbamine; 2'-N-Me C38H43N2O6(+) 622.304287 NA MeJP NA NA +MJ086603 Fangchinoline, N2-Me C38H43N2O6(+) 622.304287 NA MeJP NA NA +MJ086604 Oxyacanthine; N2'-Me C38H43N2O6(+) 622.304287 NA MeJP NA NA +C09590 (+)-O-Methylthalicberine C38H42N2O6 622.3043 NA KEGG NA NA +C09596 Obaberine C38H42N2O6 622.3043 NA KEGG NA NA +C09624 Rodiasine C38H42N2O6 622.3043 NA KEGG NA NA +C09654 (+)-Tetrandrine C38H42N2O6 622.3043 NA KEGG NA NA +C17060 Isotetrandrine C38H42N2O6 622.3043 NA KEGG NA NA +C17387 Cycleanine C38H42N2O6 622.3043 NA KEGG NA NA +PJ009735 GVERY C27H42N8O9 622.3075 NA PeJP NA NA +PJ009736 GSTCKK C24H46N8O9S 622.3109 NA PeJP NA NA +MJ086605 Delavayin B C32H42N6O7 622.311497 NA MeJP NA NA +PJ009737 AALYW C32H42N6O7 622.3115 NA PeJP NA NA +PJ009738 PCLKY C29H46N6O7S 622.3149 NA PeJP NA NA +PJ009739 STTTTL C25H46N6O12 622.3174 NA PeJP NA NA +PJ009740 TLKMM C26H50N6O7S2 622.3183 NA PeJP NA NA +PJ009741 ERRY C26H42N10O8 622.3187 NA PeJP NA NA +PJ009742 VRYW C31H42N8O6 622.3228 NA PeJP NA NA +PJ009743 GLMFR C28H46N8O6S 622.3261 NA PeJP NA NA +PJ009744 SSSSKK C24H46N8O11 622.3286 NA PeJP NA NA +PJ009745 ALKEY C29H46N6O9 622.3326 NA PeJP NA NA +PJ009746 VVDKY C29H46N6O9 622.3327 NA PeJP NA NA +MJ086606 Cotylenin A C33H50O11 622.335312 NA MeJP NA NA +MJ086607 Spirosta-5,25(27)-diene-1,2,3,12-tetrol, 3-O-?-D-Galactopyranoside C33H50O11 622.335312 NA MeJP NA NA +PJ009747 ATLRY C28H46N8O8 622.3439 NA PeJP NA NA +MJ086608 Ceanothic acid; 3-(3,4-Dihydroxybenzoyl) C37H50O8 622.350568 NA MeJP NA NA +MJ086609 Kraussianin; 5,28-Dideoxy C37H50O8 622.350568 NA MeJP NA NA +MJ086610 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl, 20-(3,4-dimethyl-2-pentenoyl) C37H50O8 622.350568 NA MeJP NA NA +PJ009748 VVKMF C30H50N6O6S 622.3513 NA PeJP NA NA +PJ009749 PTLHR C27H46N10O7 622.3551 NA PeJP NA NA +C11606 NAc-FnorLRF-amide C32H46N8O5 622.3591 NA KEGG NA NA +MJ086611 Trienomycin; Trienomycin A C36H50N2O7 622.361801 NA MeJP NA NA +PJ009750 SLLKY C30H50N6O8 622.369 NA PeJP NA NA +MJ086612 1(15?14)-Abeo-3,5,7,8,9,14-hexahydroxy-6(17),11-jatrophadien-15-one, 5,8-Bis(2-methylbutanoyl), 7-(2-methylpropanoyl) C34H54O10 622.371697 NA MeJP NA NA +MJ086613 3,5,7,8,9,15-Hexahydroxy-6(17),11-jatrophadien-14-one, 5,8-Bis(2-methylbutanoyl), 7-(2-methylpropanoyl) C34H54O10 622.371697 NA MeJP NA NA +MJ086614 7,22,24,25-Tetrahydroxyergosta-1,4-dien-3-one, 22-O-?-D-Glucopyranoside C34H54O10 622.371697 NA MeJP NA NA +MJ086615 Strevertenes; Strevertene F C34H54O10 622.371697 NA MeJP NA NA +PJ009751 GKKKY C29H50N8O7 622.3803 NA PeJP NA NA +MJ086616 Deacylantibiotic NF 00659 A; 3-(8-Methyl-2,4,6-decatrienoyl)(all-E) C38H54O7 622.386954 NA MeJP NA NA +PJ009752 VVLHR C28H50N10O6 622.3915 NA PeJP NA NA +MJ086617 Thiothece 484 C42H54O4 622.40221 NA MeJP NA NA +PJ009753 APPLLL C31H54N6O7 622.4054 NA PeJP NA NA +MJ086618 12-Oleanene-3,16,21,22,28-pentol, 28-O-?-D-Xylopyranoside C35H58O9 622.408083 NA MeJP NA NA +MJ086619 20,24-Epoxycycloartane-3,12,16,25-tetrol, 3-O-?-D-Xylopyranoside C35H58O9 622.408083 NA MeJP NA NA +MJ086620 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Xylopyranoside C35H58O9 622.408083 NA MeJP NA NA +MJ086621 20,24-Epoxycycloartane-3,6,16,25-tetrol, 6-O-?-D-Xylopyranoside C35H58O9 622.408083 NA MeJP NA NA +MJ086622 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Xylopyranoside C35H58O9 622.408083 NA MeJP NA NA +MJ086623 Bafilomycin A1 C35H58O9 622.408083 NA MeJP NA NA +MJ086624 Filipin; Filipin I C35H58O9 622.408083 NA MeJP NA NA +PJ009754 LLLKH C30H54N8O6 622.4167 NA PeJP NA NA +MJ086625 20,24-Epoxydammarane-3,25-diol, 3-(3,4-Dihydroxycinnamoyl) C39H58O6 622.423339 NA MeJP NA NA +MJ086626 3,20,28-Lupanetriol, 3-(3,4-Dihydroxycinnamoyl) C39H58O6 622.423339 NA MeJP NA NA +MJ086627 Dammar-24-ene-3,20,26-triol, 3-(3,4-Dihydroxycinnamoyl) (E-) C39H58O6 622.423339 NA MeJP NA NA +MJ086628 Decarbomethoxytetrahydrosecamine C40H54N4O2 622.424676 NA MeJP NA NA +MJ086629 Secomartinelline C33H54N10O2 622.443121 NA MeJP NA NA +MJ086630 2,6,10,15,19,23-Hexamethyl-2,6,10,12,14,18,22-tetracosaheptaene; 10,11,12,13-Tetrahydro, 10,11-dihydroxy, 14,15-epoxide, 11-O-?-D-mannopyranoside C36H62O8 622.444468 NA MeJP NA NA +MJ086631 3,16,20-Taraxastanetriol, 3-O-?-D-Glucopyranoside C36H62O8 622.444468 NA MeJP NA NA +MJ086632 3,20,28-Taraxastanetriol, 3-O-?-D-Glucopyranoside C36H62O8 622.444468 NA MeJP NA NA +MJ086633 Dammar-24-ene-3,12,20-triol, 3-O-?-D-Glucopyranoside C36H62O8 622.444468 NA MeJP NA NA +MJ086634 Panaxadiol; 3-O-?-D-Glucopyranoside C36H62O8 622.444468 NA MeJP NA NA +MJ086635 Squamosinin A C36H62O8 622.444468 NA MeJP NA NA +MJ086636 3-(Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yloxy)-12-oleanen-28-oic acid C40H62O5 622.459725 NA MeJP NA NA +MJ086637 Imbricatoloic acid dimer C40H62O5 622.459725 NA MeJP NA NA +MJ086638 2,4-cis-Trilobacinone C37H66O7 622.480854 NA MeJP NA NA +MJ086639 Annogalene C37H66O7 622.480854 NA MeJP NA NA +MJ086640 Asimicin C37H66O7 622.480854 NA MeJP NA NA +MJ086641 Asimin C37H66O7 622.480854 NA MeJP NA NA +MJ086642 Asitribin C37H66O7 622.480854 NA MeJP NA NA +MJ086643 Bullacin B C37H66O7 622.480854 NA MeJP NA NA +MJ086644 Bullatacinone C37H66O7 622.480854 NA MeJP NA NA +MJ086645 Bullatanocin; 12,24-Diepimer, 4-deoxy C37H66O7 622.480854 NA MeJP NA NA +MJ086646 Bullatanocin; 24-Epimer, 4-deoxy C37H66O7 622.480854 NA MeJP NA NA +MJ086647 Bullatanocin; 4-Deoxy C37H66O7 622.480854 NA MeJP NA NA +MJ086648 Calamistrin F C37H66O7 622.480854 NA MeJP NA NA +MJ086649 Coriacin C37H66O7 622.480854 NA MeJP NA NA +MJ086650 Gigantecin; 4-Deoxy C37H66O7 622.480854 NA MeJP NA NA +MJ086651 Gigantetronenin C37H66O7 622.480854 NA MeJP NA NA +MJ086652 Gigantransenin A C37H66O7 622.480854 NA MeJP NA NA +MJ086653 Gigantransenin C C37H66O7 622.480854 NA MeJP NA NA +MJ086654 Glabranin C37H66O7 622.480854 NA MeJP NA NA +MJ086655 Glaucaflorin C37H66O7 622.480854 NA MeJP NA NA +MJ086656 Glaucanetin C37H66O7 622.480854 NA MeJP NA NA +MJ086657 Gonionenin C37H66O7 622.480854 NA MeJP NA NA +MJ086658 Jimenezin C37H66O7 622.480854 NA MeJP NA NA +MJ086659 Longimicin A C37H66O7 622.480854 NA MeJP NA NA +MJ086660 Longimicin D C37H66O7 622.480854 NA MeJP NA NA +MJ086661 Motrilin C37H66O7 622.480854 NA MeJP NA NA +MJ086662 Muconin C37H66O7 622.480854 NA MeJP NA NA +MJ086663 Mucoxin C37H66O7 622.480854 NA MeJP NA NA +MJ086664 Narumicin I C37H66O7 622.480854 NA MeJP NA NA +MJ086665 Rollidecin A; 4-Deoxy, stereoisomer C37H66O7 622.480854 NA MeJP NA NA +MJ086666 Rollinone C37H66O7 622.480854 NA MeJP NA NA +MJ086667 Senegalene C37H66O7 622.480854 NA MeJP NA NA +MJ086668 Squamocin F C37H66O7 622.480854 NA MeJP NA NA +MJ086669 Squamosten A C37H66O7 622.480854 NA MeJP NA NA +MJ086670 Squamotacin C37H66O7 622.480854 NA MeJP NA NA +MJ086671 Tonkinesin A; 5-Ketone C37H66O7 622.480854 NA MeJP NA NA +MJ086672 Uvaribonianin C37H66O7 622.480854 NA MeJP NA NA +MJ086673 Xylopiacin; 23,24-Didehydro (Z-) C37H66O7 622.480854 NA MeJP NA NA +C08467 Asimicin C37H66O7 622.4809 NA KEGG NA NA +C08470 Bullatacinone C37H66O7 622.4809 NA KEGG NA NA +C08545 Squamocin C37H66O7 622.4809 NA KEGG NA NA +MJ086674 Nonaprenoxanthin; 11',12'-Didehydro C45H66O 622.511366 NA MeJP NA NA +HMDB05206 DG(16:0/20:1(11Z)/0:0)[iso2] C39H74O5 622.55365 http://www.hmdb.ca/metabolites/HMDB05206 HMDB NA NA +HMDB05212 DG(18:0/18:1(9Z)/0:0)[iso2] C39H74O5 622.55365 http://www.hmdb.ca/metabolites/HMDB05212 HMDB NA NA +HMDB05220 DG(16:1(9Z)/20:0/0:0)[iso2] C39H74O5 622.55365 http://www.hmdb.ca/metabolites/HMDB05220 HMDB NA NA +HMDB05206 DG(16:0/20:1(11Z)/0:0)[iso2] C39H74O5 622.55365 HMDB05206 PFEM_hmdb_metabocards_official NA NA +HMDB05212 DG(18:0/18:1(9Z)/0:0)[iso2] C39H74O5 622.55365 HMDB05212 PFEM_hmdb_metabocards_official NA NA +HMDB05220 DG(16:1(9Z)/20:0/0:0)[iso2] C39H74O5 622.55365 HMDB05220 PFEM_hmdb_metabocards_official NA NA +HMDB07029 DG(14:0/22:1(13Z)/0:0) C39H74O5 622.55365 NA HMDB2010 NA NA +HMDB07057 DG(14:1(9Z)/22:0/0:0) C39H74O5 622.55365 NA HMDB2010 NA NA +HMDB07108 DG(16:0/20:1(11Z)/0:0) C39H74O5 622.55365 NA HMDB2010 NA NA +HMDB07136 DG(16:1(9Z)/20:0/0:0) C39H74O5 622.55365 NA HMDB2010 NA NA +HMDB07159 DG(18:0/18:1(11Z)/0:0) C39H74O5 622.55365 NA HMDB2010 NA NA +HMDB07160 DG(18:0/18:1(9Z)/0:0) C39H74O5 622.55365 NA HMDB2010 NA NA +HMDB07187 DG(18:1(11Z)/18:0/0:0) C39H74O5 622.55365 NA HMDB2010 NA NA +HMDB07216 DG(18:1(9Z)/18:0/0:0) C39H74O5 622.55365 NA HMDB2010 NA NA +HMDB07360 DG(20:0/16:1(9Z)/0:0) C39H74O5 622.55365 NA HMDB2010 NA NA +HMDB07388 DG(20:1(11Z)/16:0/0:0) C39H74O5 622.55365 NA HMDB2010 NA NA +HMDB07589 DG(22:0/14:1(9Z)/0:0) C39H74O5 622.55365 NA HMDB2010 NA NA +HMDB07617 DG(22:1(13Z)/14:0/0:0) C39H74O5 622.55365 NA HMDB2010 NA NA +MJ086675 12-Oleanen-3-ol, O-Tridecanoyl C43H74O2 622.568881 NA MeJP NA NA +MJ086676 Vasculyne C43H74O2 622.568881 NA MeJP NA NA +HMDB00658 CE(16:1(9Z)) C43H74O2 622.568909 NA HMDB2010 NA NA +HMDB00658 Cholesteryl palmitoleate C43H74O2 622.56891 http://www.hmdb.ca/metabolites/HMDB00658 HMDB NA NA +HMDB00658 Cholesteryl palmitoleate C43H74O2 622.56891 HMDB00658 PFEM_hmdb_metabocards_official NA NA +3601 heparin-binding peptide WQWRMKALGA 622.8152 MH2+ Inhouse_peptide NA peptide +MJ086677 2-Hexylthioadenosine 5'-(tetrahydrogen triphosphate) C16H28N5O13P3S 623.061716 NA MeJP NA NA +MJ086678 Lamellarin H; 7-Hydroxy, 7,8,9,12,21-penta-Me ether, 20-sulfate C30H25NO12S 623.109745 NA MeJP NA NA +PJ009755 CCMMH C22H37N7O6S4 623.1688 NA PeJP NA NA +PJ009756 DDDEM C22H33N5O14S 623.1745 NA PeJP NA NA +PJ009757 GCCNNN C20H33N9O10S2 623.1792 NA PeJP NA NA +PJ009758 CCDHF C25H33N7O8S2 623.1832 NA PeJP NA NA +MJ086679 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[D-Glucopyranosylamino-(1?6)-6-deoxy-D-glucopyranoside] C28H33NO15 623.185019 NA MeJP NA NA +PJ009759 GSCNDE C21H33N7O13S 623.1857 NA PeJP NA NA +PJ009760 GPCCNM C22H37N7O8S3 623.1866 NA PeJP NA NA +PJ009761 SCNDW C25H33N7O10S 623.201 NA PeJP NA NA +PJ009762 SSSNDD C21H33N7O15 623.2035 NA PeJP NA NA +PJ009763 NNDMM C22H37N7O10S2 623.2044 NA PeJP NA NA +PJ009764 PDDDY C26H33N5O13 623.2075 NA PeJP NA NA +MJ086680 N-[2-Ethyl-3,4-dihydro-4-oxo-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-6-quinazolinyl]-N-(phenylmethyl)-2-thiophenecarboxamide C36H29N7O2S 623.210343 NA MeJP NA NA +PJ009765 SEEEM C23H37N5O13S 623.2109 NA PeJP NA NA +MJ086681 Carzinophilin C31H33N3O11 623.211508 NA MeJP NA NA +PJ009766 PDMMM C24H41N5O8S3 623.2117 NA PeJP NA NA +PJ009767 CCNER C21H37N9O9S2 623.2156 NA PeJP NA NA +PJ009768 NNDDF C25H33N7O12 623.2187 NA PeJP NA NA +PJ009769 GGNDDF C25H33N7O12 623.2188 NA PeJP NA NA +PJ009770 GCQMW C26H37N7O7S2 623.2196 NA PeJP NA NA +PJ009771 GSSNEM C22H37N7O12S 623.2221 NA PeJP NA NA +PJ009772 APCCCK C23H41N7O7S3 623.223 NA PeJP NA NA +PJ009773 CNNHH C23H33N11O8S 623.2235 NA PeJP NA NA +PJ009774 PDDMF C27H37N5O10S 623.2261 NA PeJP NA NA +PJ009775 VDEMM C24H41N5O10S2 623.2295 NA PeJP NA NA +PJ009776 SDEHH C24H33N9O11 623.23 NA PeJP NA NA +PJ009777 PCMHH C25H37N9O6S2 623.2308 NA PeJP NA NA +PJ009778 GCCRW C25H37N9O6S2 623.2309 NA PeJP NA NA +PJ009779 GSSCDR C21H37N9O11S 623.2334 NA PeJP NA NA +PJ009780 SSNMW C26H37N7O9S 623.2374 NA PeJP NA NA +PJ009781 SSSSQE C22H37N7O14 623.2399 NA PeJP NA NA +PJ009782 SQQMM C23H41N7O9S2 623.2407 NA PeJP NA NA +PJ009783 GGCKEM C23H41N7O9S2 623.2408 NA PeJP NA NA +MJ086682 1-(2-Amino-2-oxoethyl)-4-[2-[2-[[2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]-1,1-dioxido-2H-naphth[1,8-cd]isothiazol-6-yl]ethyl]-1,4-diazoniabicyclo[2.2.2]octane inner salt, (1+) C31H38N5O7S(+) 623.241369 NA MeJP NA NA +PJ009784 SPEEY C27H37N5O12 623.2439 NA PeJP NA NA +PJ009785 AEMHH C25H37N9O8S 623.2486 NA PeJP NA NA +PJ009786 SCQMR C22H41N9O8S2 623.252 NA PeJP NA NA +PJ009787 ACHFF C30H37N7O6S 623.2526 NA PeJP NA NA +PJ009788 GSSSTW C26H37N7O11 623.2551 NA PeJP NA NA +PJ009789 GCKMW C27H41N7O6S2 623.256 NA PeJP NA NA +PJ009790 GSSDKM C23H41N7O11S 623.2585 NA PeJP NA NA +PJ009791 PVDMY C28H41N5O9S 623.2625 NA PeJP NA NA +PJ009792 SCCRR C21H41N11O7S2 623.2632 NA PeJP NA NA +PJ009793 TLEMM C25H45N5O9S2 623.2659 NA PeJP NA NA +PJ009794 GNDRY C25H37N9O10 623.2664 NA PeJP NA NA +PJ009795 GHHHH C26H33N13O6 623.2677 NA PeJP NA NA +PJ009796 GSSSMR C22H41N9O10S 623.2697 NA PeJP NA NA +PJ009797 QQYW C30H37N7O8 623.2704 NA PeJP NA NA +MJ086683 Myrsinol; 7-(3-Pyridinecarbonyl), 3,5-dipropanoyl, 15-Ac C34H41NO10 623.273046 NA MeJP NA NA +PJ009798 STCKW C27H41N7O8S 623.2737 NA PeJP NA NA +PJ009799 GGPCKY C27H41N7O8S 623.2738 NA PeJP NA NA +PJ009800 SSTTTQ C23H41N7O13 623.2762 NA PeJP NA NA +PJ009801 SSSSKE C23H41N7O13 623.2763 NA PeJP NA NA +PJ009802 SQKMM C24H45N7O8S2 623.2771 NA PeJP NA NA +PJ009803 ALEEY C28H41N5O11 623.2803 NA PeJP NA NA +PJ009804 PVMMF C29H45N5O6S2 623.2812 NA PeJP NA NA +PJ009805 GPQHW C29H37N9O7 623.2816 NA PeJP NA NA +PJ009806 VLMMM C26H49N5O6S3 623.2845 NA PeJP NA NA +PJ009807 GNMFR C26H41N9O7S 623.285 NA PeJP NA NA +PJ009808 SSSSTR C22H41N9O12 623.2875 NA PeJP NA NA +MJ086684 Leukotriene C5 C30H45N3O9S 623.28765 NA MeJP NA NA +PJ009809 SCKMR C23H45N9O7S2 623.2884 NA PeJP NA NA +MJ086685 Triamcinolone; 16,17-Acetone ketal, 21-O-(3-benzamido-2-methylpropanoyl) C35H42FNO8 623.289445 NA MeJP NA NA +PJ009810 GQKEY C27H41N7O10 623.2915 NA PeJP NA NA +PJ009811 PPHHH C28H37N11O6 623.2929 NA PeJP NA NA +PJ009812 GSTTKM C24H45N7O10S 623.2949 NA PeJP NA NA +PJ009813 PPTFY C32H41N5O8 623.2955 NA PeJP NA NA +PJ009814 PTLMY C29H45N5O8S 623.2989 NA PeJP NA NA +PJ009815 GTQRY C26H41N9O9 623.3027 NA PeJP NA NA +PJ009816 GGATRY C26H41N9O9 623.3028 NA PeJP NA NA +2773 protease HIV 1 inhibitor LEYSI 623.305 NA Inhouse_peptide NA peptide +2776 protease HIV 1 inhibitor LLEYS 623.305 NA Inhouse_peptide NA peptide +PJ009817 QKYW C31H41N7O7 623.3068 NA PeJP NA NA +MJ086686 Protostreptovaricin I; 10-De-Me C35H45NO9 623.309432 NA MeJP NA NA +PJ009818 AQKMF C28H45N7O7S 623.3101 NA PeJP NA NA +PJ009819 GAAKMF C28H45N7O7S 623.3102 NA PeJP NA NA +3604 heparin-binding peptide APRKNVRWCT 623.31095 MH2+ Inhouse_peptide NA peptide +PJ009820 SSTTTK C24H45N7O12 623.3126 NA PeJP NA NA +PJ009821 SKKMM C25H49N7O7S2 623.3135 NA PeJP NA NA +PJ009822 SPQHR C25H41N11O8 623.314 NA PeJP NA NA +PJ009823 SLLEY C29H45N5O10 623.3167 NA PeJP NA NA +PJ009824 GPKHW C30H41N9O6 623.318 NA PeJP NA NA +7753 soymorphin-5 YPFVV 623.319 antioxidative Inhouse_peptide NA peptide +PJ009825 ACKFR C27H45N9O6S 623.3214 NA PeJP NA NA +PJ009826 GKKEY C28H45N7O9 623.3279 NA PeJP NA NA +PJ009827 PVVFY C33H45N5O7 623.3319 NA PeJP NA NA +PJ009828 VVLMY C30H49N5O7S 623.3353 NA PeJP NA NA +PJ009829 GTKRY C27H45N9O8 623.3391 NA PeJP NA NA +PJ009830 GGGALLH C27H45N9O8 623.3392 NA PeJP NA NA +PJ009831 KKYW C32H45N7O6 623.3431 NA PeJP NA NA +PJ009832 PPPKW C32H45N7O6 623.3432 NA PeJP NA NA +MJ086687 4(20),11-Taxadiene-5,9,10,13-tetrol, 5-(3-Methylamino-3-phenylpropanoyl), 9,10,13-tri-Ac C36H49NO8 623.345817 NA MeJP NA NA +PJ009833 AKKMF C29H49N7O6S 623.3465 NA PeJP NA NA +PJ009834 SPKHR C26H45N11O7 623.3504 NA PeJP NA NA +MJ086688 Destruxin D C30H49N5O9 623.353028 NA MeJP NA NA +PJ009835 GVHRR C25H45N13O6 623.3616 NA PeJP NA NA +PJ009836 SVKKY C29H49N7O8 623.3643 NA PeJP NA NA +MJ086689 Apicidin C34H49N5O6 623.368284 NA MeJP NA NA +PJ009837 VVLFF C34H49N5O6 623.3683 NA PeJP NA NA +PJ009838 HRRR C24H45N15O5 623.3728 NA PeJP NA NA +PJ009839 AAPPLR C28H49N9O7 623.3755 NA PeJP NA NA +PJ009840 PPVRR C27H49N11O6 623.3868 NA PeJP NA NA +PJ009841 GPPLLK C30H53N7O7 623.4007 NA PeJP NA NA +MJ086690 Flavucidin C34H57NO9 623.403332 NA MeJP NA NA +MJ086691 Myxovirescin A; Myxovirescin A1, 17-De(methoxymethyl), 17-carboxy C34H57NO9 623.403332 NA MeJP NA NA +MJ086692 Pingbeidinoside C34H57NO9 623.403332 NA MeJP NA NA +PJ009842 VLKKH C29H53N9O6 623.4119 NA PeJP NA NA +EUR777 Lyso PC 22:1 [M+FA-H]- C30H60NO7P 623.415622 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR777 Lyso PC 22:1 [M+FA-H]- C30H60NO7P 623.415622 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR777 Lyso PC 22:1 [M+FA-H]- C30H60NO7P 623.415622 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR777 Lyso PC 22:1 [M+FA-H]- C30H60NO7P 623.415622 masses lipides attendues Inhousejuil11 NA NA +EUR923 Lyso PE 24:1 [M-H+acetate]- C29H58NO7P 623.416192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR923 Lyso PE 24:1 [M-H+acetate]- C29H58NO7P 623.416192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR923 Lyso PE 24:1 [M-H+acetate]- C29H58NO7P 623.416192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR923 Lyso PE 24:1 [M-H+acetate]- C29H58NO7P 623.416192 masses lipides attendues Inhousejuil11 NA NA +MJ086693 Popolohuanone A C42H57NO3 623.433844 NA MeJP NA NA +MJ086694 Popolohuanone D C42H57NO3 623.433844 NA MeJP NA NA +C15756 Antibiotic TA C35H61NO8 623.4397 NA KEGG NA NA +MJ086695 Myxovirescin A; Myxovirescin A1, Epimer C35H61NO8 623.439717 NA MeJP NA NA +MJ086696 Juliprosine; 2,3-Didehydro C40H70N3O2(+) 623.538978 NA MeJP NA NA +MJ086697 Variceramides; Variceramide 3 C39H77NO4 623.585259 NA MeJP NA NA +HMDB11765 Cer(d18:0/22:0) C40H81NO3 623.621643 NA HMDB2010 NA NA +8102 peptide derived from yellowfin sole frame protein (Limanda aspera) RPDFDLEPPY 623.7839 MH2+ Inhouse_peptide NA peptide +MJ086698 Pelargoniin C C26H24O18 624.096263 NA MeJP NA NA +MJ086699 Phyllanthusiin C; De(hexahydroxydiphenoyl) C26H24O18 624.096263 NA MeJP NA NA +PJ009843 GCCCCH C20H32N8O7S4 624.1277 NA PeJP NA NA +FL3FAADS0026 Isoorientin 3'-O-glucuronide C27H28O17 624.13264 64052-95-5 knapsack NA NA +FL3FACGS0031 Luteolin 7-glucuronide-3'-glucoside C27H28O17 624.13264 69631-14-7 knapsack NA NA +FL3FACGS0037 Luteolin 7-galacturonide-4'-glucoside C27H28O17 624.13264 126207-52-1 knapsack NA NA +FL3FACGS0078 Luteolin 7-glucoside-3'-glucuronide;5-[7-(beta-D-Glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl beta-D-glucopyranosiduronic acid C27H28O17 624.13264 470478-50-3 knapsack NA NA +FL5FAAGL0018 Kaempferol 3-glucoside-7-glucuronide C27H28O17 624.13264 134981-93-4 knapsack NA NA +FL5FAAGS0031 Kaempferol 3-glucuronide-7-glucoside C27H28O17 624.13264 96400-38-3 knapsack NA NA +MJ086700 3',4',5,7-Tetrahydroxyflavone; 3'-O-?-D-Glucopyranoside, 7-O-?-D-glucuronopyranoside C27H28O17 624.132649 NA MeJP NA NA +MJ086701 3',4',5,7-Tetrahydroxyflavone; 4'-O-?-D-Glucopyranoside, 7-O-?-D-galacturonopyranoside C27H28O17 624.132649 NA MeJP NA NA +MJ086702 3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Glucuronopyranoside, 4'-O-?-D-glucopyranoside C27H28O17 624.132649 NA MeJP NA NA +MJ086703 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Galactopyranosyl-?-D-glucuronopyranoside] C27H28O17 624.132649 NA MeJP NA NA +MJ086704 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranoside] C27H28O17 624.132649 NA MeJP NA NA +MJ086705 Astragalin; 7-O-?-D-Glucuronopyranoside C27H28O17 624.132649 NA MeJP NA NA +MJ086706 Isoorientin; 3'-O-?-D-Glucuronopyranoside C27H28O17 624.132649 NA MeJP NA NA +MJ086707 Populnin; 3-O-?-D-Glucuronopyranoside C27H28O17 624.132649 NA MeJP NA NA +MJ086708 Quercitrin; 7-O-?-D-Glucuronopyranoside C27H28O17 624.132649 NA MeJP NA NA +MJ086709 thallicin E C34H28N2O6S2 624.138878 NA MeJP NA NA +MJ086710 3,4-Dihydro-5-(2-pyridinyl)-2H-pyrrole-2-carboxylic acid, Fe complex (3:1) C30H28FeN6O6 624.141974 NA MeJP NA NA +MJ086711 7a,8a,15b,15c-Tetrahydro-1,7a,8a,15-tetrahydroxy-6,10-diphenyl-7H,9H-diphenaleno[1,2-b:1,2-d]furan-7,9-dione; 4',4''-Dihydroxy C38H24O9 624.142032 NA MeJP NA NA +FL3FACCS0037 Isoorientin 2''-O-(E)-ferulate;trans-Feruloyl-2''-isoorientin C31H28O14 624.1479 60077-49-8 knapsack NA NA +FL3FACCS0046 2''-O-Feruloylorientin C31H28O14 624.1479 861691-33-0 knapsack NA NA +FL3FACGS0063 Luteolin 7-(6''-ferulylglucoside) C31H28O14 624.1479 111150-41-5 knapsack NA NA +FL5FAAGL0070 Kaempferol 3-(6''-ferulylglucoside);5,7-Dihydroxy-3-[[6-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C31H28O14 624.1479 69200-62-0 knapsack NA NA +FL5FADGL0038 Isorhamnetin 3-(6''-p-coumarylglucoside) C31H28O14 624.1479 84534-24-7<BR>110351-14-9 knapsack NA NA +FL5FADGS0019 Isorhamnetin 7-(6''-p-coumarylglucoside);Buddlenoid B;3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C31H28O14 624.1479 142768-55-6 knapsack NA NA +FL5FEAGS0022 6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-6-methoxy-4H-1-benzopyran-4-one C31H28O14 624.1479 235741-38-5 knapsack NA NA +MJ086712 3',4',5,7-Tetrahydroxyflavone; 7-O-[4-Hydroxy-3-methoxycinnamoyl-(1?6)-?-D-glucopyranoside] C31H28O14 624.147905 NA MeJP NA NA +MJ086713 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 7-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] C31H28O14 624.147905 NA MeJP NA NA +MJ086714 3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C31H28O14 624.147905 NA MeJP NA NA +MJ086715 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-(4-Hydroxycinnamoyl) C31H28O14 624.147905 NA MeJP NA NA +MJ086716 Ergochromes; Ergochrome AC C31H28O14 624.147905 NA MeJP NA NA +MJ086717 Ergochromes; Ergochrome BC C31H28O14 624.147905 NA MeJP NA NA +MJ086718 Isoorientin; 2''-O-(4-Hydroxy-3-methoxycinnamoyl) C31H28O14 624.147905 NA MeJP NA NA +MJ086719 Isoorientin; 4''-Me ether, 6''-O-(3,4-dihydroxycinnamoyl)(E-) C31H28O14 624.147905 NA MeJP NA NA +MJ086720 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside] C31H29O14(+) 624.147905 NA MeJP NA NA +MJ086721 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[4-Hydroxy-3-methoxycinnamoyl-(1??)-?-D-glucopyranoside] C31H29O14(+) 624.147905 NA MeJP NA NA +PJ009844 PPCCCC C22H36N6O7S4 624.1529 NA PeJP NA NA +MJ086722 1,1',8,8'-Tetrahydroxy-3,3'-dimethyl-4,7'-bianthracene-9,9',10(10'H)-trione; 10'-C-?-L-Arabinopyranosyl C35H28O11 624.163161 NA MeJP NA NA +MJ086723 1,1',8,8'-Tetrahydroxy-3,3'-dimethyl-4,7'-bianthracene-9,9',10(10'H)-trione; 10'R-C-?-D-Xylopyranoside C35H28O11 624.163161 NA MeJP NA NA +PJ009845 GCCNND C20H32N8O11S2 624.1632 NA PeJP NA NA +FL1ABGGS0001 Subulin C28H32O16 624.16903 66274-45-1 knapsack NA NA +FL3FADCS0010 Isoscoparin 2''-O-glucoside C28H32O16 624.16903 97605-25-9 knapsack NA NA +FL3FADCS0013 Scoparin 2''-O-glucoside C28H32O16 624.16903 124902-15-4 knapsack NA NA +FL3FADCS0014 Stellarin 2 C28H32O16 624.16903 63975-58-6 knapsack NA NA +FL3FADCS0023 Scoparin 6''-O-glucoside C28H32O16 624.16903 605652-87-7 knapsack NA NA +FL3FADCS0025 Isoscoparin 4'-O-glucoside C28H32O16 624.16903 - knapsack NA NA +FL3FADDS0001 Isoscoparin 7-O-glucoside C28H32O16 624.16903 50307-26-1 knapsack NA NA +FL3FADDS0002 Knoutinoside C28H32O16 624.16903 53178-02-2 knapsack NA NA +FL3FADDS0003 Chrysoeriol 7-O-8-C-bisglucoside;Knautoside;Episcoparin 7-O-glucoside C28H32O16 624.16903 41758-48-9 knapsack NA NA +FL3FADGS0010 Luteolin 3'-methyl ether 7-mannosyl-(1->2)-alloside C28H32O16 624.16903 - knapsack NA NA +FL3FADGS0011 Luteolin 3'-methyl ether 7-allosyl-(1->2)-glucoside C28H32O16 624.16903 84323-22-8 knapsack NA NA +FL3FADGS0013 Luteolin 3'-methyl ether 5,4'-diglucoside C28H32O16 624.16903 74336-87-1 knapsack NA NA +FL3FADGS0015 Luteolin 3'-methyl ether 7,4'-diglucoside C28H32O16 624.16903 36451-45-3 knapsack NA NA +FL3FAECS0005 6,8-Di-C-glucopyranosyldiosmetin C28H32O16 624.16903 98813-28-6 knapsack NA NA +FL3FAECS0006 3,8-Di-C-glucopyranosyldiosmetin C28H32O16 624.16903 97218-32-1 knapsack NA NA +FL3FAEGS0007 Luteolin 4'-methyl ether 7-sophoroside C28H32O16 624.16903 75243-37-7 knapsack NA NA +FL3FAICS0003 6-C-Glucopyranosyl-8-C-arabinopyranosyltricin C28H32O16 624.16903 80738-69-8 knapsack NA NA +FL3FAICS0004 6-C-Arabinopyranosyl-8-C-glucopyranosyltricin C28H32O16 624.16903 80779-90-4 knapsack NA NA +FL3FCCCS0003 Luteoayamenin C28H32O16 624.16903 77795-23-4 knapsack NA NA +FL3FCCDS0001 Swertiajaponin 3'-O-glucoside C28H32O16 624.16903 76149-31-0 knapsack NA NA +FL3FCCDS0004 6-C-Rhamnopyranosylrhamnetin 3-O-glucopyranoside C28H32O16 624.16903 137052-34-7 knapsack NA NA +FL3FCGGS0001 Tricetin 7-methyl ether 3'-glucoside-5'-rhamnoside;2-[3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C28H32O16 624.16903 261912-73-6 knapsack NA NA +FL3FFAGS0012 Isoscutellarein 4'-methyl ether 7-allosyl-(1->2)-glucoside C28H32O16 624.16903 143061-76-1 knapsack NA NA +FL3FFAGS0018 Isoscutellarein 4'-methyl ether 7-allosyl-(1->2)glucoside;7-[(2-O-beta-D-Allopyranosyl-beta-D-glucopyranosyl)oxy]-5,8-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C28H32O16 624.16903 113791-55-2 knapsack NA NA +FL5FABGL0002 Kaempferide 3,7-diglucoside C28H32O16 624.16903 89764-19-2 knapsack NA NA +FL5FADGA0006 Isorhamnetin 3-rhamnosyl-(1->2)-galactoside C28H32O16 624.16903 128508-13-4 knapsack NA NA +FL5FADGA0007 Isorhamnetin 3-robinobioside C28H32O16 624.16903 53584-69-3 knapsack NA NA +FL5FADGA0009 Isorhamnetin 3-galactoside-7-rhamnoside;Quercetin 3'-methyl ether 3-galactoside-7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3-(beta-D-galactopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C28H32O16 624.16903 142130-50-5 knapsack NA NA +FL5FADGL0010 Isorhamnetin 3-neohesperidoside C28H32O16 624.16903 55033-90-4 knapsack NA NA +FL5FADGL0011 Narcissin C28H32O16 624.16903 604-80-8 knapsack NA NA +FL5FADGL0015 Isorhamnetin 3-glucoside-7-rhamnoside C28H32O16 624.16903 17331-71-4 knapsack NA NA +FL5FADGL0017 Isorhamnetin 3-glucoside-4'-rhamnoside C28H32O16 624.16903 28289-13-6 knapsack NA NA +FL5FADGS0014 Isorhamnetin 3-rhamnoside-7-glucoside C28H32O16 624.16903 123131-41-9 knapsack NA NA +FL5FADGS0017 Isorhamnetin 4'-neohesperidoside;Crosatoside A;Quercetin 3'-methyl ether 4'-rhamnosyl-(1->2)-glucoside C28H32O16 624.16903 139742-27-1 knapsack NA NA +FL5FAEGA0003 Tamarixetin 3-robinobioside C28H32O16 624.16903 137129-37-4 knapsack NA NA +FL5FAEGL0002 Tamarixetin 3-rutinoside C28H32O16 624.16903 20550-05-4 knapsack NA NA +FL5FAEGS0004 Tamarixetin 7-rutinoside C28H32O16 624.16903 14265-53-3 knapsack NA NA +FL5FAEGS0005 Tamarixetin 3-neohesperidoside;Quercetin 4'-methyl ether 3-neohesperidoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one C28H32O16 624.16903 261159-41-5 knapsack NA NA +FL5FAIGS0004 Syringetin 3-rhamnosyl-(1->5)-alpha-L-arabinofuranoside;Myricetin 3',5'-dimethyl ether 3-rhamnosyl-(1->5)-alpha-L-arabinofuranoside;3-[[5-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinofuranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one C28H32O16 624.16903 213314-28-4 knapsack NA NA +FL5FAJGS0002 Mearnsetin 3,7-dirhamnoside C28H32O16 624.16903 137196-20-4 knapsack NA NA +FL5FBAGA0002 Kaempferol 5-methyl ether 3-galactoside-4'-glucoside C28H32O16 624.16903 142741-21-7 knapsack NA NA +FL5FBCGL0002 Azaleatin 3-rutinoside C28H32O16 624.16903 63764-79-4 knapsack NA NA +FL5FCAGA0003 Rhamnocitrin 3-glucosyl-(1->2)-galactoside C28H32O16 624.16903 117047-50-4 knapsack NA NA +FL5FCAGA0004 Rhamnocitrin 3-galactoside-4'-glucoside C28H32O16 624.16903 101959-23-3 knapsack NA NA +FL5FCAGL0005 Rhamnocitrin 3,4'-diglucoside C28H32O16 624.16903 116183-66-5 knapsack NA NA +FL5FCCGA0004 Rhamnetin 3-robinobioside;Quercetin 7-methyl ether 3-robinobioside;3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C28H32O16 624.16903 137121-78-9 knapsack NA NA +FL5FCCGA0005 Rhamnetin 3-galactoside-3'-rhamnoside C28H32O16 624.16903 93252-35-8 knapsack NA NA +FL5FCCGL0002 Rhamnetin 3-neohesperidoside C28H32O16 624.16903 101330-77-2 knapsack NA NA +FL5FCCGL0003 Rhamnetin 3-rutinoside C28H32O16 624.16903 34202-83-0 knapsack NA NA +FL5FCDGS0002 Rhamnazin 3-glucosyl-(1->5)-alpha-L-arabinofuranoside;Quercetin 7,3'-dimethyl ether 3-glucosyl-(1->5)-alpha-L-arabinofuranoside;3-[(5-O-beta-D-Glucopyranosyl-alpha-L-arabinofuranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C28H32O16 624.16903 244775-54-0 knapsack NA NA +FL5FCDGS0003 Rhamnazin 3-xylosyl-(1->2)-glucoside;Quercetin 7,3'-dimethyl ether 3-xylosyl-(1->2)-glucoside C28H32O16 624.16903 - knapsack NA NA +FL5FCGGS0002 Myricetin 7-methyl ether 3,4'-di-O-alpha-L-rhamnopyranoside C28H32O16 624.16903 230283-40-6 knapsack NA NA +FL5FDEGS0002 Quercetin 3,4'-dimethyl ether 7-alpha-L-Arabinofuranosyl-(1->6)-glucoside C28H32O16 624.16903 - knapsack NA NA +FL5FDJGS0002 Myricetin 3,4'-dimethyl ether 7-rhamnoside-3'-xyloside C28H32O16 624.16903 93373-12-7 knapsack NA NA +FL5FEAGA0002 6-Methoxykaempferol 3-robinobioside C28H32O16 624.16903 90706-64-2 knapsack NA NA +FL5FECGS0011 Patuletin 3,7-dirhamnoside C28H32O16 624.16903 78468-41-4 knapsack NA NA +FL5FFAGL0006 Sexangularetin 3-neohesperidoside;8-Methoxykaempferol 3-O-beta-D-(2''-O-alpha-L-rhamnopyranosyl)glucopyranoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one C28H32O16 624.16903 151029-71-9 knapsack NA NA +FL5FFAGL0007 Sexangularetin 3-rutinoside C28H32O16 624.16903 64803-70-9 knapsack NA NA +FL5FFAGL0009 Sexangularetin 3-glucoside-7-rhamnoside C28H32O16 624.16903 47580-51-1 knapsack NA NA +FL5FFAGS0018 Sexangularetin 3-rhamnoside-7-glucoside C28H32O16 624.16903 85966-35-4 knapsack NA NA +FLIAEAGS0003 Tectorigenin 7-O-gentiobioside C28H32O16 624.16903 67604-94-8 knapsack NA NA +MJ086724 1,2,4,5-Tetrahydroxy-7-methylanthraquinone; 2-Me ether, 4-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086725 1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 2-O-[4-O-acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086726 2',3',4',6,7-Pentahydroxyflavone; 4'-Me ether, 7-O-neohesperidoside C28H32O16 624.169034 NA MeJP NA NA +MJ086727 2',3,5,7-Tetrahydroxyflavone; 2'-Me ether, diglucoside C28H32O16 624.169034 NA MeJP NA NA +MJ086728 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086729 3',4',5,7-Tetrahydroxy-6-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086730 3',4',5-Trihydroxy-7-methoxyflavone; 4'-O-[?-D-Glucofuranosyl-(1?6)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086731 3',4',5-Trihydroxy-7-methoxyflavone; 4'-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086732 3',4,4',5',6-Pentahydroxyaurone; 4-Me ether, 6-O-[?-L-rhamnopyranosyl(1?4)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086733 3',5,5',7-Tetrahydroxy-3,4'-dimethoxyflavone; 7-O-?-L-Rhamnopyranoside, 3'-O-?-D-xylopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086734 3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086735 3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086736 3,3',4',5,5',7-Hexahydroxyflavone; 7-Me ether, 3,4'-di-O-?-L-rhamnopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086737 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3,7-Di-O-?-L-rhamnopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086738 3,3',4',5,7-Pentahydroxy-6-rhamnosylflavone; 7-Me ether, 3-O-?-D-glucopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086739 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-?-D-Galactopyranoside, 3'-O-?-L-rhamnopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086740 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086741 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086742 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086743 3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086744 3,3',5,5',7-Pentahydroxy-4'-methoxyflavone; 3,7-Di-O-?-L-rhamnopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086745 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086746 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086747 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086748 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086749 3,4',5,7,8-Pentahydroxyflavone; 7-Me ether, 3-O-[?-L-rhamnopyranosyl-(1??)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086750 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?5)-?-L-arabinofuranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086751 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Galactopyranoside, 7-O-?-L-rhamnopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086752 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Glucofuranoside, 4'-O-?-L-rhamnopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086753 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086754 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-L-rhamnopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086755 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086756 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086757 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-?-D-glucopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086758 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086759 3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086760 3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086761 3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-?-D-Glucopyranoside, 7-O-?-L-rhamnopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086762 3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-Neohesperidoside C28H32O16 624.169034 NA MeJP NA NA +MJ086763 3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-Rutinoside C28H32O16 624.169034 NA MeJP NA NA +MJ086764 3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-?-D-glucopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086765 3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?5)-?-D-arabinofuranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086766 3,4',5-Trihydroxy-3',7-dimethoxyflavone; 4'-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086767 3,4',5-Trihydroxy-7-methoxyflavone; 3,4'-Di-O-?-D-glucopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086768 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-?-D-Galactopyranoside, 4'-O-?-D-glucopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086769 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086770 3,4',7-Trihydroxy-5-methoxyflavone; 3-O-?-D-Galactopyranoside, 4'-O-?-D-glucopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086771 3,5,7-Trihydroxy-4'-methoxyflavone; 3,7-Di-O-?-D-glucopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086772 3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086773 3,8-Diglucopyranosyl-3',4',5,7-tetrahydroxyflavone; 4'-Me ether C28H32O16 624.169034 NA MeJP NA NA +MJ086774 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-L-Rhamnopyranosyl C28H32O16 624.169034 NA MeJP NA NA +MJ086775 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 4'-O-?-L-Rhamnopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086776 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-L-Rhamnofuranosyl C28H32O16 624.169034 NA MeJP NA NA +MJ086777 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 7-O-?-L-Rhamnopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086778 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; ?''-O-?-L-Rhamnopyranosyl C28H32O16 624.169034 NA MeJP NA NA +MJ086779 4',5,7-Trihydroxy-3'-methoxyflavone; 4',5-Di-O-glucoside C28H32O16 624.169034 NA MeJP NA NA +MJ086780 4',5,7-Trihydroxy-3'-methoxyflavone; 4',7-Di-O-glucoside C28H32O16 624.169034 NA MeJP NA NA +MJ086781 4',5,7-Trihydroxy-3'-methoxyflavone; 5-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086782 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-D-Allopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086783 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086784 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(??)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086785 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-D-Mannopyranosyl-(1?2)-?-D-allopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086786 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[Galactosyl-(1??)-galactoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086787 4',5,7-Trihydroxy-6-methoxyisoflavone; 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086788 5,6,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-D-Mannopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O16 624.169034 NA MeJP NA NA +MJ086789 6-Arabinopyranosyl-8-glucopyranosyl-3',4',5,5',7-pentahydroxyflavone; 3',5'-Di-Me ether C28H32O16 624.169034 NA MeJP NA NA +MJ086790 6-Glucopyranosyl-3,3',4',5,7-pentahydroxyflavone; 3'-Me, 3-O-?-L-rhamnofuranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086791 8-Arabinopyranosyl-6-glucopyranosyl-3',4',5,5',7-pentahydroxyflavone; 3',5'-Di-Me ether C28H32O16 624.169034 NA MeJP NA NA +MJ086792 8-Glucosyl-4',5,7-trihydroxy-3'-methoxyflavone; ?-D-Pyranose-form, 2''-O-?-D-Glucopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086793 8-Glucosyl-4',5,7-trihydroxy-3'-methoxyflavone; ?-D-Pyranose-form, 7-O-?-D-Glucopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086794 8-Glucosyl-4',5,7-trihydroxy-3'-methoxyflavone; ?-D-Pyranose-form, 7-O-?-D-Glucopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086795 Isoscoparin; 2''-O-?-D-Glucopyranosyl C28H32O16 624.169034 NA MeJP NA NA +MJ086796 Isoscoparin; 7-O-?-D-Glucopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086797 Lucenin 2; 3'-Me ether C28H32O16 624.169034 NA MeJP NA NA +MJ086798 Lucenin 2; 4'-Me ether C28H32O16 624.169034 NA MeJP NA NA +MJ086799 Swertiajaponin; 2''-O-?-D-Glucopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086800 Swertiajaponin; 3'-O-?-D-Glucopyranoside C28H32O16 624.169034 NA MeJP NA NA +MJ086801 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H33O16(+) 624.169035 NA MeJP NA NA +MJ086802 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C28H33O16(+) 624.169035 NA MeJP NA NA +MJ086803 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-?-L-Rhamnopyranoside, 5-O-?-D-glucopyranoside C28H33O16(+) 624.169035 NA MeJP NA NA +MJ086804 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C28H33O16(+) 624.169035 NA MeJP NA NA +MJ086805 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3,5-Di-O-?-D-glucopyranoside C28H33O16(+) 624.169035 NA MeJP NA NA +MJ086806 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-?-D-Galactopyranoside, 5-O-?-D-glucopyranoside C28H33O16(+) 624.169035 NA MeJP NA NA +MJ086807 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C28H33O16(+) 624.169035 NA MeJP NA NA +MJ086808 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C28H33O16(+) 624.169035 NA MeJP NA NA +MJ086809 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C28H33O16(+) 624.169035 NA MeJP NA NA +PJ009846 GSCDDE C21H32N6O14S 624.1698 NA PeJP NA NA +PJ009847 GPCCDM C22H36N6O9S3 624.1706 NA PeJP NA NA +C03184 Zinc protoporphyrin-9 C34H32N4O4Zn 624.1715 NA KEGG NA NA +C03185 [Glycogen-synthase D] C34H32N4O4Zn 624.1715 NA KEGG NA NA +C03186 [Glycogen-synthase I] C34H32N4O4Zn 624.1715 NA KEGG NA NA +MJ086810 Diazipine C29H26F6N4O5 624.180739 NA MeJP NA NA +MJ086811 4-(4-Hydroxyphenyl)-2-butanone; O-[4-Hydroxy-E-cinnamoyl-(?6)-[3,4,5-trihydroxycinnamoyl-(?2)]-?-D-glucopyranoside] C32H32O13 624.184291 NA MeJP NA NA +MJ086812 Haedoxan A; 4''-Demethoxy C32H32O13 624.184291 NA MeJP NA NA +PJ009848 SCDDW C25H32N6O11S 624.185 NA PeJP NA NA +PJ009849 SSSDDD C21H32N6O16 624.1875 NA PeJP NA NA +PJ009850 NDDMM C22H36N6O11S2 624.1884 NA PeJP NA NA +MJ086813 Bisnafide C32H28N6O8 624.196861 NA MeJP NA NA +MJ086814 Schizantherin P; 7-Epimer, dibenzoyl C36H32O10 624.199547 NA MeJP NA NA +PJ009851 CCDER C21H36N8O10S2 624.1996 NA PeJP NA NA +MJ086815 Nikkomycin I C25H32N6O13 624.202735 NA MeJP NA NA +MJ086816 Nikkomycin J C25H32N6O13 624.202735 NA MeJP NA NA +MJ086817 Nikkomycin pseudo-J C25H32N6O13 624.202735 NA MeJP NA NA +PJ009852 NDDDF C25H32N6O13 624.2028 NA PeJP NA NA +PJ009853 GCEMW C26H36N6O8S2 624.2036 NA PeJP NA NA +C10456 Forsythiaside C29H36O15 624.2054 NA KEGG NA NA +C10501 Verbascoside C29H36O15 624.2054 NA KEGG NA NA +C17393 Methyl hesperidin C29H36O15 624.2054 NA KEGG NA NA +C17678 Magnoloside A C29H36O15 624.2054 NA KEGG NA NA +MJ086818 2',3,4,4',6'-Pentahydroxychalcone; 2',4-Di-Me ether, 4'-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H36O15 624.20542 NA MeJP NA NA +MJ086819 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C29H36O15 624.20542 NA MeJP NA NA +MJ086820 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] C29H36O15 624.20542 NA MeJP NA NA +MJ086821 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxy-Z-cinnamoyl-(?4)]-?-D-glucopyranoside] C29H36O15 624.20542 NA MeJP NA NA +MJ086822 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxy-Z-cinnamoyl-(?6)]-?-D-glucopyranoside] C29H36O15 624.20542 NA MeJP NA NA +MJ086823 3',4',5,7-Tetrahydroxyflavanone, 3',4'-Di-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H36O15 624.20542 NA MeJP NA NA +MJ086824 4',5,7-Trihydroxy-6,8-dimethylflavanone, 5,7-Di-O-?-D-Glucopyranoside C29H36O15 624.20542 NA MeJP NA NA +MJ086825 Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[4-hydroxycinnamoyl-(?4)-?-D-xylopyranoside] C29H36O15 624.20542 NA MeJP NA NA +MJ086826 Forsythiaside C29H36O15 624.20542 NA MeJP NA NA +MJ086827 Magnoloside A C29H36O15 624.20542 NA MeJP NA NA +MJ086828 Pedicularioside G C29H36O15 624.20542 NA MeJP NA NA +MJ086829 Unedoside; 6-O-[2-O-Acetyl-3-O-benzoyl-?-L-rhamnopyranoside] C29H36O15 624.20542 NA MeJP NA NA +FL1CBEGS0001 3,4',6'-Trihydroxy-4,2'-dimethoxychalcone 4'-O-rutinoside C29H36O15 624.20542 24292-52-2 knapsack NA NA +FL2FAAGM0003 Farrerol 5,7-di-O-glucoside C29H36O15 624.20542 - knapsack NA NA +FL2FAFGS0002 5,7-Dihydroxy-3',4'-dimethoxyflavanone 7-rutinoside;Homoesperetin 7-rutinoside C29H36O15 624.20542 28034-80-2 knapsack NA NA +PJ009854 GSSDEM C22H36N6O13S 624.2061 NA PeJP NA NA +PJ009855 GSPCMM C23H40N6O8S3 624.207 NA PeJP NA NA +PJ009856 CNDHH C23H32N10O9S 624.2075 NA PeJP NA NA +MJ086830 Buntanbismine C35H32N2O9 624.21078 NA MeJP NA NA +PJ009857 SSSCNQ C21H36N8O12S 624.2174 NA PeJP NA NA +PJ009858 CMWW C30H36N6O5S2 624.2189 NA PeJP NA NA +MJ086831 Nomilinic acid; Lactone, O-de-Ac, O-(3,4,5-trihydroxybenzoyl) C33H36O12 624.220676 NA MeJP NA NA +PJ009859 SSDMW C26H36N6O10S 624.2214 NA PeJP NA NA +PJ009860 SSSSEE C22H36N6O15 624.2239 NA PeJP NA NA +PJ009861 SQEMM C23H40N6O10S2 624.2248 NA PeJP NA NA +PJ009862 CNNQF C25H36N8O9S 624.2326 NA PeJP NA NA +MJ086832 11(15?1)-Abeo-20-chloro-11-taxene-2,4,5,7,9,10,13,15-octol, 9-Benzoyl, 2,7-di-Ac C31H41ClO11 624.233739 NA MeJP NA NA +PJ009863 GSSSSSN C21H36N8O14 624.2351 NA PeJP NA NA +PJ009864 SCEMR C22H40N8O9S2 624.236 NA PeJP NA NA +PJ009865 GPCYW C30H36N6O7S 624.2366 NA PeJP NA NA +PJ009866 GQEEY C26H36N6O12 624.2391 NA PeJP NA NA +PJ009867 GGAEEY C26H36N6O12 624.2392 NA PeJP NA NA +PJ009868 GTMMW C27H40N6O7S2 624.24 NA PeJP NA NA +MJ086833 12,17-Epoxy-2,5,7,9,10,11,19-heptahydroxy-4(20)-taxen-13-one, 2,7,9,10,11-Penta-Ac C30H40O14 624.241805 NA MeJP NA NA +MJ086834 12,17-Epoxy-2,5,7,9,10,11,19-heptahydroxy-4(20)-taxen-13-one, 2,7,9,10,19-Penta-Ac C30H40O14 624.241805 NA MeJP NA NA +MJ086835 2,8,9,11,12,14,16-Heptahydroxy-3,5-briaradien-18,7-olide, 2,9,12,14,16-Penta-Ac C30H40O14 624.241805 NA MeJP NA NA +PJ009869 GSTTEM C23H40N6O12S 624.2425 NA PeJP NA NA +MJ086836 Protochelin C31H36N4O10 624.243143 NA MeJP NA NA +PJ009870 VNMMM C24H44N6O7S3 624.2434 NA PeJP NA NA +PJ009871 SNMHH C24H36N10O8S 624.2438 NA PeJP NA NA +PJ009872 GGSMHH C24H36N10O8S 624.2439 NA PeJP NA NA +MJ086837 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 9,9'-Dicarboxylic acid, 3',5-di-Me ether, bis[2-(4-hydroxyphenyl)ethylamide] C36H36N2O8 624.247166 NA MeJP NA NA +MJ086838 Cannabisin B, 3',6-Di-Me ether C36H36N2O8 624.247166 NA MeJP NA NA +MJ086839 Cannabisin E; 7-Deoxy, 7,8-didehydro C36H36N2O8 624.247166 NA MeJP NA NA +MJ086840 Cannabisin G C36H36N2O8 624.247166 NA MeJP NA NA +MJ086841 Grossamide C36H36N2O8 624.247166 NA MeJP NA NA +PJ009873 GDDRY C25H36N8O11 624.2504 NA PeJP NA NA +PJ009874 PCCFR C26H40N8O6S2 624.2512 NA PeJP NA NA +PJ009875 SSSCNK C22H40N8O11S 624.2537 NA PeJP NA NA +PJ009876 GGSSSCK C22H40N8O11S 624.2538 NA PeJP NA NA +PJ009877 QEYW C30H36N6O9 624.2544 NA PeJP NA NA +PJ009878 GMMMR C23H44N8O6S3 624.2546 NA PeJP NA NA +PJ009879 STTMW C27H40N6O9S 624.2578 NA PeJP NA NA +MJ086842 Cryptophycin 19 C34H41ClN2O7 624.260229 NA MeJP NA NA +MJ086843 Cryptophycin 28 C34H41ClN2O7 624.260229 NA MeJP NA NA +MJ086844 Cryptophycin 29 C34H41ClN2O7 624.260229 NA MeJP NA NA +MJ086845 Cryptophycin 49 C34H41ClN2O7 624.260229 NA MeJP NA NA +MJ086846 Cryptophycin 4; 6'-Chloro, O-de-Me C34H41ClN2O7 624.260229 NA MeJP NA NA +PJ009880 SSTTTE C23H40N6O14 624.2603 NA PeJP NA NA +PJ009881 SKEMM C24H44N6O9S2 624.2611 NA PeJP NA NA +PJ009882 GSSTHH C24H36N10O10 624.2616 NA PeJP NA NA +C17431 Kanokoside D C27H44O16 624.2629 NA KEGG NA NA +MJ086847 Patrinoside; 8-Epimer, 6'-O-?-D-glucopyranosyl C27H44O16 624.262935 NA MeJP NA NA +PJ009883 GPEHW C29H36N8O8 624.2656 NA PeJP NA NA +MJ086848 Reserpine, Nb-Oxide C33H40N2O10 624.268295 NA MeJP NA NA +PJ009884 SPCRY C26H40N8O8S 624.269 NA PeJP NA NA +PJ009885 AYWW C34H36N6O6 624.2697 NA PeJP NA NA +MJ086849 Bisnorponcitrin C38H40O8 624.272318 NA MeJP NA NA +MJ086850 Khelmarin C C38H40O8 624.272318 NA MeJP NA NA +PJ009886 STMMR C23H44N8O8S2 624.2724 NA PeJP NA NA +PJ009887 AAMFW C31H40N6O6S 624.273 NA PeJP NA NA +MJ086851 Guianensine C39H36N4O4 624.273655 NA MeJP NA NA +PJ009888 GKEEY C27H40N6O11 624.2755 NA PeJP NA NA +PJ009889 PCKMF C28H44N6O6S2 624.2764 NA PeJP NA NA +PJ009890 GQHHF C28H36N10O7 624.2769 NA PeJP NA NA +MJ086852 3,7-Dimethyl-2,5-octadiene-1,7-diol, 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxycinnamoyl(?4)]-?-D-glucopyranoside] C31H44O13 624.278191 NA MeJP NA NA +MJ086853 3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C31H44O13 624.278191 NA MeJP NA NA +MJ086854 3,7-Dimethyl-2,7-octadiene-1,6-diol, 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxycinnamoyl-(?6)]-?-D-glucopyranoside] C31H44O13 624.278191 NA MeJP NA NA +PJ009891 SSSTLM C24H44N6O11S 624.2789 NA PeJP NA NA +PJ009892 CLKMM C25H48N6O6S3 624.2798 NA PeJP NA NA +PJ009893 TCKHH C25H40N10O7S 624.2802 NA PeJP NA NA +PJ009894 PHWW C33H36N8O5 624.2809 NA PeJP NA NA +MJ086855 Berbamine; N2'-Oxide (?-) C37H40N2O7 624.283551 NA MeJP NA NA +MJ086856 Fangchinoline, 2'-?-N-Oxide C37H40N2O7 624.283551 NA MeJP NA NA +MJ086857 Fangchinoline, 2'?-N-Oxide C37H40N2O7 624.283551 NA MeJP NA NA +MJ086858 Fangchinoline, 2'?-N-Oxide C37H40N2O7 624.283551 NA MeJP NA NA +MJ086859 Fangchinoline, 2?-N-Oxide C37H40N2O7 624.283551 NA MeJP NA NA +MJ086860 Jhelumine; O7'-Me ether C37H40N2O7 624.283551 NA MeJP NA NA +MJ086861 Limacusine, N2'-Oxide(?-) C37H40N2O7 624.283551 NA MeJP NA NA +MJ086862 Obaberine; N2-De-Me, N2'-oxide (?-) C37H40N2O7 624.283551 NA MeJP NA NA +MJ086863 Thalidezine; N2-De-Me C37H40N2O7 624.283551 NA MeJP NA NA +MJ086864 Thaligosidine C37H40N2O7 624.283551 NA MeJP NA NA +MJ086865 Thaliphylline; 2'-N-Oxide (?) C37H40N2O7 624.283551 NA MeJP NA NA +MJ086866 Thalisopidine C37H40N2O7 624.283551 NA MeJP NA NA +MJ086867 Thalmine; 5-Hydroxy C37H40N2O7 624.283551 NA MeJP NA NA +MJ086868 Thalrugosidine; N2-De-Me C37H40N2O7 624.283551 NA MeJP NA NA +PJ009895 SNNKY C26H40N8O10 624.2867 NA PeJP NA NA +PJ009896 GTERY C26H40N8O10 624.2868 NA PeJP NA NA +PJ009897 KEYW C31H40N6O8 624.2908 NA PeJP NA NA +MJ086869 11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 5-Cinnamoyl, 7,9,13-tri-Ac C35H44O10 624.293447 NA MeJP NA NA +MJ086870 4(20),11-Taxadiene-2,5,9,10,13-pentol, 4?,20-Epoxide, 5-cinnamoyl, 2,10,13-tri-Ac C35H44O10 624.293447 NA MeJP NA NA +MJ086871 4(20),11-Taxadiene-2,5,9,10,13-pentol, 4?,20-Epoxide, 5-cinnamoyl, 2,9,13-tri-Ac C35H44O10 624.293447 NA MeJP NA NA +MJ086872 Nimbolinin; 12-Ketone(lactone), 7-tigloyl, 1,3-di-Ac C35H44O10 624.293447 NA MeJP NA NA +PJ009898 SPKMY C28H44N6O8S 624.2941 NA PeJP NA NA +PJ009899 GAALMY C28H44N6O8S 624.2942 NA PeJP NA NA +PJ009900 TTTTTT C24H44N6O13 624.2966 NA PeJP NA NA +3282 NA NGRAHA 624.2969 celiac toxic Inhouse_peptide NA peptide +PJ009901 SPEHR C25H40N10O9 624.298 NA PeJP NA NA +PJ009902 TRYW C30H40N8O7 624.302 NA PeJP NA NA +PJ009903 GVMRY C27H44N8O7S 624.3054 NA PeJP NA NA +PJ009904 GQQHR C24H40N12O8 624.3092 NA PeJP NA NA +PJ009905 GGGAAHR C24H40N12O8 624.3093 NA PeJP NA NA +PJ009906 SVKEY C28H44N6O10 624.3119 NA PeJP NA NA +PJ009907 GKHHF C29H40N10O6 624.3133 NA PeJP NA NA +MJ086873 1,10-Epoxy-11-germacrene-2,3,4,5,8,9-hexol, 11,13-Epoxide, 3,9-diangeloyl, 8-(2-methylbutanoyl), 5-Ac C32H48O12 624.314577 NA MeJP NA NA +MJ086874 14-Labdene-3,6,8,12,13,20-hexol, Hexa-Ac C32H48O12 624.314577 NA MeJP NA NA +MJ086875 15,16-Epoxy-8,13(16),14-labdatrien-19-oic acid; [?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl] ester C32H48O12 624.314577 NA MeJP NA NA +MJ086876 4,18:11,16:15,16-Triepoxy-2,6,19-clerodanetriol, 19-[3S-(3S-Acetoxybutanoyloxy)butanoyl], 6-Ac C32H48O12 624.314577 NA MeJP NA NA +MJ086877 p-Mentha-1,3,5-triene-2,3-diol; 3-O-[2-Methylbutanoyl-(?4)-?-D-fucopyranosyl-(1?3)-4-O-angeloyl-6-deoxy-?-D-glucopyranoside] C32H48O12 624.314577 NA MeJP NA NA +MJ086878 p-Mentha-1,3,5-triene-2,3-diol; 3-O-[3-Methylbutanoyl-(?4)-?-D-fucopyranosyl-(1?3)-4-O-angeloyl-6-deoxy-?-D-glucopyranoside] C32H48O12 624.314577 NA MeJP NA NA +PJ009908 MRRY C26H44N10O6S 624.3166 NA PeJP NA NA +2711 erythromycin inhibitor MFSKL 624.3184 NA Inhouse_peptide NA peptide +C09419 Dauricine C38H44N2O6 624.3199 NA KEGG NA NA +MJ086879 Cuspidaline; O7'-Me C38H44N2O6 624.319937 NA MeJP NA NA +MJ086880 Dauricine C38H44N2O6 624.319937 NA MeJP NA NA +MJ086881 Neferine C38H44N2O6 624.319937 NA MeJP NA NA +MJ086882 Neothalibrine C38H44N2O6 624.319937 NA MeJP NA NA +MJ086883 Pisopowetine C38H44N2O6 624.319937 NA MeJP NA NA +MJ086884 Pisopowiaridine; 12'-Me ether C38H44N2O6 624.319937 NA MeJP NA NA +MJ086885 Popisonine; 6'-Me ether C38H44N2O6 624.319937 NA MeJP NA NA +MJ086886 Popisonine; 6-Me ether C38H44N2O6 624.319937 NA MeJP NA NA +MJ086887 Popisonine; O7'-De-Me, 6,6'-Di-Me ether C38H44N2O6 624.319937 NA MeJP NA NA +MJ086888 Thalibrine C38H44N2O6 624.319937 NA MeJP NA NA +PJ009909 SSLRY C27H44N8O9 624.3231 NA PeJP NA NA +PJ009910 GGLLEH C27H44N8O9 624.3232 NA PeJP NA NA +PJ009911 APKFY C32H44N6O7 624.3272 NA PeJP NA NA +PJ009912 ALKMY C29H48N6O7S 624.3305 NA PeJP NA NA +PJ009913 PPPVCL C29H48N6O7S 624.3306 NA PeJP NA NA +PJ009914 ALEHR C26H44N10O8 624.3344 NA PeJP NA NA +PJ009915 GLLHW C31H44N8O6 624.3384 NA PeJP NA NA +MJ086889 Acobretine A; N-Ac C35H48N2O8 624.341066 NA MeJP NA NA +MJ086890 Ansatrienin B; 20,23-Quinone, N-deacyl, N-(4-methylpentanoyl) C35H48N2O8 624.341066 NA MeJP NA NA +PJ009916 PLKMH C28H48N8O6S 624.3418 NA PeJP NA NA +MJ086891 Huratoxin; 6,7-Deepoxy, 6-hydroxy, 7-chloro, 2',3',4',5'-tetrahydro C34H53ClO8 624.342896 NA MeJP NA NA +PJ009917 GQKHR C25H44N12O7 624.3456 NA PeJP NA NA +PJ009918 TTLKY C29H48N6O9 624.3483 NA PeJP NA NA +PJ009919 FFRR C30H44N10O5 624.3496 NA PeJP NA NA +MJ086892 Caribenolide I C33H52O11 624.350962 NA MeJP NA NA +MJ086893 Cotylenin C C33H52O11 624.350962 NA MeJP NA NA +MJ086894 Petunioside C C33H52O11 624.350962 NA MeJP NA NA +PJ009920 VLKEH C28H48N8O8 624.3595 NA PeJP NA NA +PJ009921 PPLLW C33H48N6O6 624.3636 NA PeJP NA NA +MJ086895 2,3,27-Trihydroxy-12-lupen-28-oic acid, 3-(3,4-Dihydroxybenzoyl) C37H52O8 624.366218 NA MeJP NA NA +MJ086896 3,4-Didehydro-1,2-dihydro-8'-apo-?-carotenoic acid; O-Mannopyranoside, Me ester C37H52O8 624.366218 NA MeJP NA NA +MJ086897 Hoveine C38H48N4O4 624.367556 NA MeJP NA NA +PJ009922 SLLHR C27H48N10O7 624.3708 NA PeJP NA NA +MJ086898 Octacosamicin A C31H52N4O9 624.373429 NA MeJP NA NA +MJ086899 Superstolide A C36H52N2O7 624.377452 NA MeJP NA NA +MJ086900 Ferulinolone C41H52O5 624.381474 NA MeJP NA NA +PJ009923 GKKHR C26H48N12O6 624.382 NA PeJP NA NA +PJ009924 SPPVLL C30H52N6O8 624.3847 NA PeJP NA NA +MJ086901 Homochainin C34H56O10 624.387348 NA MeJP NA NA +MJ086902 17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Heptanoyl, 3-benziloylhydrazone C40H52N2O4 624.392708 NA MeJP NA NA +PJ009925 GPPVKK C29H52N8O7 624.3959 NA PeJP NA NA +MJ086903 Cicloxolone C38H56O7 624.402604 NA MeJP NA NA +PJ009926 PPKKR C28H52N10O6 624.4072 NA PeJP NA NA +MJ086904 Sporidesmolides; Sporidesmolide I, N6-De-Me C32H56N4O8 624.409814 NA MeJP NA NA +MJ086905 Tirilazad C38H52N6O2 624.415174 NA MeJP NA NA +MJ086906 Oscillol; 2,2'-Diketone, 1,1'-di-Me ether C42H56O4 624.41786 NA MeJP NA NA +C15885 2,2'-Diketospirilloxanthin C42H56O4 624.4179 NA KEGG NA NA +PJ009927 GPLLLL C31H56N6O7 624.4211 NA PeJP NA NA +MJ086907 Cycloartane-3,6,16,24,25-pentol, 3-O-?-D-Xylopyranoside C35H60O9 624.423733 NA MeJP NA NA +MJ086908 Annogalene; 20-Epimer, 23,24-dihydro C37H68O7 624.496504 NA MeJP NA NA +MJ086909 Annoglacin A C37H68O7 624.496504 NA MeJP NA NA +MJ086910 Annomontacin C37H68O7 624.496504 NA MeJP NA NA +MJ086911 Asitrilobin D C37H68O7 624.496504 NA MeJP NA NA +MJ086912 Goniotetracin C37H68O7 624.496504 NA MeJP NA NA +MJ086913 Laherradurin C37H68O7 624.496504 NA MeJP NA NA +MJ086914 Rollinecin A C37H68O7 624.496504 NA MeJP NA NA +MJ086915 Squamoxinone C37H68O7 624.496504 NA MeJP NA NA +MJ086916 Tonkinesin A C37H68O7 624.496504 NA MeJP NA NA +MJ086917 Xylomaticinone C37H68O7 624.496504 NA MeJP NA NA +MJ086918 Xylopiacin C37H68O7 624.496504 NA MeJP NA NA +MJ086919 Batzelladine F C37H64N6O2 624.509075 NA MeJP NA NA +MJ086920 Minalemines; Minalemine C C31H64N10O3 624.516285 NA MeJP NA NA +MJ086921 Nonaprenoxanthin C45H68O 624.527016 NA MeJP NA NA +MJ086922 1,3,5-Tridodecanoylbenzene C42H72O3 624.548146 NA MeJP NA NA +MJ086923 20-Taraxastene-3,16-diol, 3-Dodecanoyl C42H72O3 624.548146 NA MeJP NA NA +HMDB05202 DG(16:0/20:0/0:0)[iso2] C39H76O5 624.56927 http://www.hmdb.ca/metabolites/HMDB05202 HMDB NA NA +HMDB05210 DG(18:0/18:0/0:0)[rac] C39H76O5 624.56927 http://www.hmdb.ca/metabolites/HMDB05210 HMDB NA NA +HMDB05202 DG(16:0/20:0/0:0)[iso2] C39H76O5 624.56927 HMDB05202 PFEM_hmdb_metabocards_official NA NA +HMDB05210 DG(18:0/18:0/0:0)[rac] C39H76O5 624.56927 HMDB05210 PFEM_hmdb_metabocards_official NA NA +HMDB07028 DG(14:0/22:0/0:0) C39H76O5 624.569275 NA HMDB2010 NA NA +HMDB07107 DG(16:0/20:0/0:0) C39H76O5 624.569275 NA HMDB2010 NA NA +HMDB07158 DG(18:0/18:0/0:0) C39H76O5 624.569275 NA HMDB2010 NA NA +HMDB07359 DG(20:0/16:0/0:0) C39H76O5 624.569275 NA HMDB2010 NA NA +HMDB07588 DG(22:0/14:0/0:0) C39H76O5 624.569275 NA HMDB2010 NA NA +C11251 Cholesteryl palmitate C43H76O2 624.5845 NA KEGG NA NA +HMDB00885 Cholesteryl palmitic acid C43H76O2 624.58453 http://www.hmdb.ca/metabolites/HMDB00885 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00885 Cholesteryl palmitic acid C43H76O2 624.58453 http://www.hmdb.ca/metabolites/HMDB00885 HMDB NA NA +HMDB00885 Cholesteryl palmitic acid C43H76O2 624.58453 http://www.hmdb.ca/metabolites/HMDB00885 PFEM_hmdb_metabocards_blood NA blood +HMDB00885 Cholesteryl palmitic acid C43H76O2 624.58453 HMDB00885 PFEM_hmdb_metabocards_official NA NA +HMDB00885 CE(16:0) C43H76O2 624.584534 NA HMDB2010 NA NA +MJ086924 Rafoxanide C19H11Cl2I2NO3 624.820535 NA MeJP NA NA +8271 f(64-75) of bovine kappa casein PAAVRSPAQILQ 624.85 MH2+ Inhouse_peptide NA peptide +MJ086925 Vancomycinic acid C26H25Cl2N3O11 625.086614 NA MeJP NA NA +MJ086926 Lamellarin H; 7-Hydroxy, 5,6-dihydro, 7,8,9,12,21-penta-Me ether, 20-sulfate C30H27NO12S 625.125396 NA MeJP NA NA +MJ086927 Lamellarin H; 7-Methoxy, 5,6-dihydro, 8,9,13,21-tetra-Me ether, 20-sulfate C30H27NO12S 625.125396 NA MeJP NA NA +MJ086928 1-[[[1-[3-[2-(2,3-Dichlorothieno[3,2-b]pyridin-5-yl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic acid C33H33Cl2NO3S2 625.12789 NA MeJP NA NA +FL7AACGL0010 Cyanidin 3-(2''-glucuronosylglucoside) C27H29O17 625.14047 - knapsack NA NA +PJ009928 GCCNDD C20H31N7O12S2 625.1472 NA PeJP NA NA +PJ009929 GGGCCDD C20H31N7O12S2 625.1473 NA PeJP NA NA +FL7AADGL0014 Peonidin 3-(6''-caffeylgucoside) C31H29O14 625.15573 164584-53-6<BR>68795-38-0 knapsack NA NA +FL7AAHGL0011 Petunidin 3-(6''-p-coumarylglucoside) C31H29O14 625.15573 51939-69-6<BR>71991-89-4 knapsack NA NA +FL7ARXGL0005 Malvidin 3-glucoside-4-vinylcatechol C31H29O14 625.15573 403982-47-8 knapsack NA NA +PJ009930 SPCCCN C21H35N7O9S3 625.1659 NA PeJP NA NA +PJ009931 DDDMM C22H35N5O12S2 625.1724 NA PeJP NA NA +FL7AADGA0002 Peonidin 3-galactoside-5-glucoside C28H33O16 625.17686 - knapsack NA NA +FL7AADGL0004 Peonidin 3-sophoroside C28H33O16 625.17686 - knapsack NA NA +FL7AADGL0005 Peonidin 3-gentiobioside C28H33O16 625.17686 - knapsack NA NA +FL7AADGL0007 Peonin;Peonidin 3,5-diglucoside;Peonidin 3-glucoside-5-glucoside C28H33O16 625.17686 132-37-6 knapsack NA NA +FL7AAHGL0004 Petunidin 3-rutinoside C28H33O16 625.17686 39824-84-5 knapsack NA NA +FL7AAHGS0003 Petunidin 3-rhamnoside-5-glucoside C28H33O16 625.17686 53925-30-7 knapsack NA NA +FL7AAIGL0024 Malvidin 3-O-beta-D-sambubioside C28H33O16 625.17686 260257-35-0 knapsack NA NA +PJ009932 GSCNDM C21H35N7O11S2 625.1836 NA PeJP NA NA +PJ009933 DDDDF C25H31N5O14 625.1868 NA PeJP NA NA +PJ009934 CDDHH C23H31N9O10S 625.1915 NA PeJP NA NA +PJ009935 SCCQW C25H35N7O8S2 625.1989 NA PeJP NA NA +PJ009936 SSSCNE C21H35N7O13S 625.2014 NA PeJP NA NA +PJ009937 CNQMM C22H39N7O8S3 625.2022 NA PeJP NA NA +PJ009938 GGCQMM C22H39N7O8S3 625.2023 NA PeJP NA NA +MJ086929 Cyclothialidines; Cyclothialidine C C26H35N5O11S 625.205377 NA MeJP NA NA +PJ009939 PCDEY C26H35N5O11S 625.2054 NA PeJP NA NA +PJ009940 SEEMM C23H39N5O11S2 625.2088 NA PeJP NA NA +PJ009941 CCNMR C21H39N9O7S3 625.2135 NA PeJP NA NA +PJ009942 GSSSCW C25H35N7O10S 625.2166 NA PeJP NA NA +PJ009943 GGGGCEF C25H35N7O10S 625.2167 NA PeJP NA NA +PJ009944 GSSSSSD C21H35N7O15 625.2191 NA PeJP NA NA +PJ009945 GSSNMM C22H39N7O10S2 625.22 NA PeJP NA NA +PJ009946 GEEEY C26H35N5O13 625.2232 NA PeJP NA NA +PJ009947 PCEMF C27H39N5O8S2 625.224 NA PeJP NA NA +PJ009948 VDMMM C24H43N5O8S3 625.2274 NA PeJP NA NA +PJ009949 SDMHH C24H35N9O9S 625.2279 NA PeJP NA NA +PJ009950 GSTCCR C21H39N9O9S2 625.2312 NA PeJP NA NA +PJ009951 GCNFW C29H35N7O7S 625.2319 NA PeJP NA NA +PJ009952 SNNEY C25H35N7O12 625.2344 NA PeJP NA NA +PJ009953 SCCKW C26H39N7O7S2 625.2353 NA PeJP NA NA +PJ009954 SSTTCQ C22H39N7O12S 625.2377 NA PeJP NA NA +PJ009955 SSSSQM C22H39N7O12S 625.2378 NA PeJP NA NA +PJ009956 EEYW C30H35N5O10 625.2384 NA PeJP NA NA +PJ009957 CNKMM C23H43N7O7S3 625.2386 NA PeJP NA NA +PJ009958 SPEMY C27H39N5O10S 625.2418 NA PeJP NA NA +PJ009959 GSPNDH C24H35N9O11 625.2456 NA PeJP NA NA +PJ009960 AMMHH C25H39N9O6S2 625.2465 NA PeJP NA NA +PJ009961 SSSSCR C21H39N9O11S 625.249 NA PeJP NA NA +PJ009962 GSNYW C29H35N7O9 625.2496 NA PeJP NA NA +PJ009963 GGGSYW C29H35N7O9 625.2497 NA PeJP NA NA +PJ009964 GQQMY C26H39N7O9S 625.253 NA PeJP NA NA +PJ009965 GSSSSTT C22H39N7O14 625.2555 NA PeJP NA NA +PJ009966 GSTCKM C23H43N7O9S2 625.2564 NA PeJP NA NA +PJ009967 NNNQH C23H35N11O10 625.2569 NA PeJP NA NA +PJ009968 PPCFY C31H39N5O7S 625.257 NA PeJP NA NA +PJ009969 SVEEY C27H39N5O12 625.2595 NA PeJP NA NA +PJ009970 PCLMY C28H43N5O7S2 625.2604 NA PeJP NA NA +PJ009971 GEHHF C28H35N9O8 625.2609 NA PeJP NA NA +PJ009972 TLMMM C25H47N5O7S3 625.2638 NA PeJP NA NA +PJ009973 GCQRY C25H39N9O8S 625.2642 NA PeJP NA NA +PJ009974 GGACRY C25H39N9O8S 625.2643 NA PeJP NA NA +PJ009975 SNDKY C26H39N7O11 625.2708 NA PeJP NA NA +PJ009976 SSSSKM C23H43N7O11S 625.2741 NA PeJP NA NA +PJ009977 SPPYY C31H39N5O9 625.2748 NA PeJP NA NA +PJ009978 PCNHR C24H39N11O7S 625.2755 NA PeJP NA NA +PJ009979 HHFW C32H35N9O5 625.2761 NA PeJP NA NA +PJ009980 ALEMY C28H43N5O9S 625.2782 NA PeJP NA NA +PJ009981 SSNRY C25H39N9O10 625.282 NA PeJP NA NA +PJ009982 GQQFF C30H39N7O8 625.286 NA PeJP NA NA +MJ086930 Trideacetylpyripyropene A; 3,17,19-Tripropanoyl C34H43NO10 625.288696 NA MeJP NA NA +PJ009983 GQKMY C27H43N7O8S 625.2894 NA PeJP NA NA +PJ009984 GQEHR C24H39N11O9 625.2932 NA PeJP NA NA +PJ009985 GGAEHR C24H39N11O9 625.2933 NA PeJP NA NA +PJ009986 PCLFF C32H43N5O6S 625.2934 NA PeJP NA NA +PJ009987 TTLEY C28H43N5O11 625.2959 NA PeJP NA NA +PJ009988 VVMMF C29H47N5O6S2 625.2968 NA PeJP NA NA +PJ009989 GVQHW C29H39N9O7 625.2973 NA PeJP NA NA +3791 NA YPFSL 625.299 ACE inhibitor Inhouse_peptide NA peptide +PJ009990 GCKRY C26H43N9O7S 625.3006 NA PeJP NA NA +PJ009991 GPPPCR C26H43N9O7S 625.3007 NA PeJP NA NA +HMDB01198 Leukotriene C4 C30H47N3O9S 625.30328 http://www.hmdb.ca/metabolites/HMDB01198 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01198 Leukotriene C4 C30H47N3O9S 625.30328 http://www.hmdb.ca/metabolites/HMDB01198 HMDB NA NA +HMDB05095 11-trans-Leukotriene C4 C30H47N3O9S 625.30328 http://www.hmdb.ca/metabolites/HMDB05095 HMDB NA NA +HMDB01198 Leukotriene C4 C30H47N3O9S 625.30328 http://www.hmdb.ca/metabolites/HMDB01198 PFEM_hmdb_metabocards_blood NA blood +HMDB01198 Leukotriene C4 C30H47N3O9S 625.30328 HMDB01198 PFEM_hmdb_metabocards_official NA NA +HMDB05095 11-trans-Leukotriene C4 C30H47N3O9S 625.30328 HMDB05095 PFEM_hmdb_metabocards_official NA NA +HMDB01198 Leukotriene C4 C30H47N3O9S 625.303284 NA HMDB2010 NA NA +HMDB05095 11-trans-Leukotriene C4 C30H47N3O9S 625.303284 NA HMDB2010 NA NA +EUR151 LeukotrieneC4(LTC4) C30H47N3O9S 625.3033 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR151 LeukotrieneC4(LTC4) C30H47N3O9S 625.3033 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR151 LeukotrieneC4(LTC4) C30H47N3O9S 625.3033 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR151 LeukotrieneC4(LTC4) C30H47N3O9S 625.3033 Wishlist Inhousejuil11 NA NA +C02166 Leukotriene C4 C30H47N3O9S 625.3033 NA KEGG NA NA +MJ086931 Leukotriene C4 C30H47N3O9S 625.3033 NA MeJP NA NA +MetaCyc03993 leukotriene-C4 [] C30H47N3O9S1 625.303301 72025-60-6 metacyc NA NA +EUR151 LeukotrieneC4(LTC4) C30H47N3O9S 625.303304 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR151 LeukotrieneC4(LTC4) C30H47N3O9S 625.303304 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR151 LeukotrieneC4(LTC4) C30H47N3O9S 625.303304 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR151 LeukotrieneC4(LTC4) C30H47N3O9S 625.303304 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR151 LeukotrieneC4(LTC4) C30H47N3O9S 625.303304 Wishlist HMDB NA NA +EUR151 LeukotrieneC4(LTC4) C30H47N3O9S 625.303304 Wishlist Inhouse_PFEM NA NA +EUR151 LeukotrieneC4(LTC4) C30H47N3O9S 625.303304 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR151 LeukotrieneC4(LTC4) C30H47N3O9S 625.303304 Wishlist PFEM_hmdb_metabocards_official NA NA +PJ009992 STQKY C27H43N7O10 625.3072 NA PeJP NA NA +PJ009993 QHRW C28H39N11O6 625.3085 NA PeJP NA NA +MJ086932 Rubellidin 2.1 C32H43N5O8 625.311163 NA MeJP NA NA +PJ009994 APLYY C32H43N5O8 625.3112 NA PeJP NA NA +PJ009995 SLLMY C29H47N5O8S 625.3145 NA PeJP NA NA +PJ009996 VTLMY C29H47N5O8S 625.3146 NA PeJP NA NA +PJ009997 PPQER C26H43N9O9 625.3184 NA PeJP NA NA +PJ009998 PPVQW C31H43N7O7 625.3224 NA PeJP NA NA +MJ086933 Rhizoxin C35H47NO9 625.325082 NA MeJP NA NA +PJ009999 GKKMY C28H47N7O7S 625.3258 NA PeJP NA NA +PJ010000 GKEHR C25H43N11O8 625.3296 NA PeJP NA NA +PJ010001 APPRW C30H43N9O6 625.3337 NA PeJP NA NA +PJ010002 GTHRR C24H43N13O7 625.3409 NA PeJP NA NA +PJ010003 STKKY C28H47N7O9 625.3435 NA PeJP NA NA +PJ010004 GPPVKE C28H47N7O9 625.3436 NA PeJP NA NA +3213 Casoxin from bovine kappa-casein fr:25-34 YIPIQYVLSR 625.3445 MH2+ Inhouse_peptide NA peptide +3215 ileum contracting peptide YIPIQYVLSR 625.3445 MH2+ Inhouse_peptide NA peptide +3216 casoxin C YIPIQYVLSR 625.3445 MH2+ Inhouse_peptide NA peptide +3495 ACE inhibitor from k-casein YIPIQYVLSR 625.3445 MH2+ Inhouse_peptide NA peptide +PJ010005 KHRW C29H43N11O5 625.3449 NA PeJP NA NA +HMDB02579 Glycochenodeoxycholic acid 3-glucuronide C32H51NO11 625.34619 http://www.hmdb.ca/metabolites/HMDB02579 HMDB NA NA +HMDB02579 Glycochenodeoxycholic acid 3-glucuronide C32H51NO11 625.34619 HMDB02579 PFEM_hmdb_metabocards_official NA NA +HMDB02579 Glycochenodeoxycholic acid 3-glucuronide C32H51NO11 625.346191 NA HMDB2010 NA NA +PJ010006 ALLFY C33H47N5O7 625.3476 NA PeJP NA NA +PJ010007 PPKER C27H47N9O8 625.3548 NA PeJP NA NA +PJ010008 PPVKW C32H47N7O6 625.3588 NA PeJP NA NA +PJ010009 LLLMH C29H51N7O6S 625.3622 NA PeJP NA NA +PJ010010 PPTRR C26H47N11O7 625.366 NA PeJP NA NA +MJ086934 Destruxin Ed1 C30H51N5O9 625.368678 NA MeJP NA NA +PJ010011 APPTLK C29H51N7O8 625.3799 NA PeJP NA NA +PJ010012 GGGPLLL C29H51N7O8 625.38 NA PeJP NA NA +MJ086935 Antibiotic M 2845; O3-Ac C33H55NO10 625.382596 NA MeJP NA NA +MJ086936 Apicidin; 8'-Alcohol C34H51N5O6 625.383934 NA MeJP NA NA +MJ086937 Apicidin; 8'-Deoxo, 9'-hydroxy C34H51N5O6 625.383934 NA MeJP NA NA +PJ010013 PLLQR C28H51N9O7 625.3912 NA PeJP NA NA +MJ086938 Enniatin B; N-De-Me C32H55N3O9 625.39383 NA MeJP NA NA +PJ010014 PVVRR C27H51N11O6 625.4024 NA PeJP NA NA +PJ010015 GPVLLK C30H55N7O7 625.4163 NA PeJP NA NA +PJ010016 PLLKR C29H55N9O6 625.4276 NA PeJP NA NA +EUR772 Lyso PC 22:0 [M+FA-H]- C30H62NO7P 625.431272 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR772 Lyso PC 22:0 [M+FA-H]- C30H62NO7P 625.431272 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR772 Lyso PC 22:0 [M+FA-H]- C30H62NO7P 625.431272 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR772 Lyso PC 22:0 [M+FA-H]- C30H62NO7P 625.431272 masses lipides attendues Inhousejuil11 NA NA +MJ086939 Myxovirescin A; Myxovirescin A1, 4-Epimer, 9-alcohol C35H63NO8 625.455367 NA MeJP NA NA +MJ086940 Myxovirescin A; Myxovirescin A1, 9-Alcohol C35H63NO8 625.455367 NA MeJP NA NA +MJ086941 Juliprosine C40H72N3O2(+) 625.554628 NA MeJP NA NA +MJ086942 2-Amino-9-docosene-1,3,4-triol, N-(2R-Hydroxyhexadecanoyl) C38H75NO5 625.564524 NA MeJP NA NA +MJ086943 Rubrolide E; 3',3'',5',5''-Tetrabromo, 2-chloro C17H7Br4ClO4 625.676637 NA MeJP NA NA +MJ086944 4-Hydroxy-3,5-diiodobenzenesulfonic acid; Hg salt C6H2HgI2O4S 625.746941 NA MeJP NA NA +MJ086945 Hexakis[?-(acetato-O:O')]-?4-oxotetrazinc C12H18O13Zn4 625.791326 NA MeJP NA NA +MJ086946 Isoplagiochin C; 2,6',8',10',12,14'-Hexachloro C28H16Cl6O4 625.917975 NA MeJP NA NA +MJ086947 Calafianin C22H20Br2N4O8 625.964788 NA MeJP NA NA +MJ086948 Ellagic acid; 2-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C26H26O18 626.111914 NA MeJP NA NA +MJ086949 Micacocidins; Cu complex C27H37CuN3O4S3 626.124219 NA MeJP NA NA +MJ086950 3,4',5,6,7-Pentahydroxyflavone; 7-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranoside] C30H26O15 626.12717 NA MeJP NA NA +MJ086951 Hyperin; 6''-O-(3,4-Dihydroxycinnamoyl) C30H26O15 626.12717 NA MeJP NA NA +FL3FECGS0045 Spicoside A;6-Hydroxyluteolin 7-(6''-(E)-caffeoylglucoside);2-(3,4-Dihydroxyphenyl)-7-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,6-dihydroxy-4H-1-benzopyran-4-one C30H26O15 626.12717 651317-77-0 knapsack NA NA +FL5FACGA0033 Quercetin 3-(6''-caffeylgalactoside) C30H26O15 626.12717 84575-22-4 knapsack NA NA +FL5FAGGL0011 Myricetin 3'-O-(6''-p-coumaroyl)glucoside C30H26O15 626.12717 603136-05-6 knapsack NA NA +FL5FAGGN0001 Nympholide A C30H26O15 626.12717 604004-58-2 knapsack NA NA +FL5FAGGN0002 Nympholide B C30H26O15 626.12717 604004-59-3 knapsack NA NA +FL5FAGGS0030 Myricetin 3-(6''-p-coumaroylglucoside) C30H26O15 626.12717 - knapsack NA NA +FL5FEAGS0017 6-Hydroxykaempferol 7-(6''-(E)-caffeylglucoside) C30H26O15 626.12717 150900-97-3 knapsack NA NA +PJ010017 GCCDDD C20H30N6O13S2 626.1313 NA PeJP NA NA +MJ086952 2,2',4,4',5,5',7,7'-Octahydroxy-3,3'-dimethyl-1,1'-bianthraquinone; 5,5',7,7'-Tetra-Me ether C34H26O12 626.142426 NA MeJP NA NA +MJ086953 Mesuabixanthone A; 5-Me ether C34H26O12 626.142426 NA MeJP NA NA +MJ086954 Rugulosin, 2,2'-Diepimer, 2,2'-di-Ac C34H26O12 626.142426 NA MeJP NA NA +FL3FAGCS0005 6,8-Di-C-glucopyranosyltricetin C27H30O17 626.14829 76491-11-7 knapsack NA NA +FL3FAGGS0005 Tricetin 3',5'-diglucoside C27H30O17 626.14829 93373-19-4 knapsack NA NA +FL3FECGS0017 6-Hydroxyluteolin 7-sophoroside C27H30O17 626.14829 93289-75-9 knapsack NA NA +FL3FECGS0018 6-Hydroxyluteolin 7-gentiobioside C27H30O17 626.14829 92122-75-3 knapsack NA NA +FL3FFCGS0005 8-Hydroxyluteolin 7-allosyl-(1->2)-glucoside C27H30O17 626.14829 93252-28-9 knapsack NA NA +FL3FFCGS0006 8-Hydroxyluteolin 8-gentiobioside C27H30O17 626.14829 115921-09-0 knapsack NA NA +FL3FFCGS0018 Hypolaetin 7-sophoroside;8-Hydroxyluteolin 7-sophoroside;7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-4H-1-benzopyran-4-one C27H30O17 626.14829 151363-22-3 knapsack NA NA +FL5FACGA0005 Quercetin 3-galactosyl-(1->4)-galactoside C27H30O17 626.14829 63292-82-0 knapsack NA NA +FL5FACGA0006 Quercetin 3-glucosyl-(1->2)-galactoside C27H30O17 626.14829 95043-15-5 knapsack NA NA +FL5FACGA0007 Quercetin 3-glucosyl-(1->4)-galactoside;2-(3,4-Dihydroxyphenyl)-3-[(4-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one C27H30O17 626.14829 167278-46-8 knapsack NA NA +FL5FACGA0008 Quercetin 3-glucosyl-(1->6)-galactoside C27H30O17 626.14829 90366-14-6 knapsack NA NA +FL5FACGA0011 Quercetin 3,5-digalactoside C27H30O17 626.14829 - knapsack NA NA +FL5FACGA0013 Quercetin 3-galactoside-7-glucoside C27H30O17 626.14829 56782-99-1<BR>174175-14-5 knapsack NA NA +FL5FACGL0007 Quercetin 3-galactosyl-(1->2)-glucoside C27H30O17 626.14829 152695-31-3 knapsack NA NA +FL5FACGL0008 Quercetin 3-galactosyl-(1->6)-glucoside C27H30O17 626.14829 94595-85-4 knapsack NA NA +FL5FACGL0009 Quercetin 3-sophoroside C27H30O17 626.14829 18609-17-1 knapsack NA NA +FL5FACGL0010 Quercetin 3-laminaribioside C27H30O17 626.14829 171828-58-3 knapsack NA NA +FL5FACGL0011 Quercetin 3-gentiobioside C27H30O17 626.14829 7431-83-6 knapsack NA NA +FL5FACGL0015 Quercetin 3,7-diglucoside C27H30O17 626.14829 6892-74-6 knapsack NA NA +FL5FACGL0018 Quercetin 3,3'-diglucoside C27H30O17 626.14829 20188-84-5 knapsack NA NA +FL5FACGL0019 Quercetin 3,4'-diglucoside C27H30O17 626.14829 29125-80-2 knapsack NA NA +FL5FACGS0025 Quercetin 3-glucosyl-(1->4)-mannoside C27H30O17 626.14829 70863-85-3 knapsack NA NA +FL5FACGS0039 Quercetin 7,4'-diglucoside C27H30O17 626.14829 42900-82-3 knapsack NA NA +FL5FACGS0070 Quercetin 3-glucosyl-(1->3)-galactoside C27H30O17 626.14829 - knapsack NA NA +FL5FAGGA0002 Myricetin 3-robinobioside;3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C27H30O17 626.14829 145544-43-0 knapsack NA NA +FL5FAGGA0004 Myricetin 3-galactoside-3'-rhamnoside;2-[3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-4,5-dihydroxyphenyl]-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one C27H30O17 626.14829 143035-73-8 knapsack NA NA +FL5FAGGL0003 Myricetin 3-rutinoside C27H30O17 626.14829 41093-68-9 knapsack NA NA +FL5FAGGS0010 Myricetin 3-rhamnoside-7-glucoside C27H30O17 626.14829 - knapsack NA NA +FL5FAGGS0023 Myricetin 3-neohesperidoside; 3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C27H30O17 626.14829 431887-48-8 knapsack NA NA +FL5FAGGS0024 Myricetin 3-rhamnoside-3'-glucoside;3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-[3-(beta-D-glucopyranosyloxy)-4,5-dihydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one C27H30O17 626.14829 200353-67-9 knapsack NA NA +FL5FEAGL0002 6-Hydroxykaempferol 3,6-diglucoside C27H30O17 626.14829 142674-16-6 knapsack NA NA +FL5FFAGS0013 Herbacetin 8-gentiobioside C27H30O17 626.14829 69640-76-2 knapsack NA NA +FL5FFCGL0002 Gossypetin 3-rutinoside C27H30O17 626.14829 153478-06-9 knapsack NA NA +FL5FFCGS0008 Gossypetin 7-glucosyl-(1->3)-rhamnoside C27H30O17 626.14829 168288-08-2 knapsack NA NA +FL5FFCGS0009 Gossypetin 7-rhamnoside-8-glucoside C27H30O17 626.14829 94696-38-5 knapsack NA NA +FL5FGAGL0001 6,8-Dihydroxykaempferol 3-rutinoside C27H30O17 626.14829 160387-81-5 knapsack NA NA +MJ086955 3',4',5,5',7-Pentahydroxyflavone; 3',5'-Di-O-?-D-glucopyranoside C27H30O17 626.148299 NA MeJP NA NA +MJ086956 3',4',5,5',7-Pentahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C27H30O17 626.148299 NA MeJP NA NA +MJ086957 3',4',5,6,7-Pentahydroxyflavone; 4',7-Di-O-?-D-glucopyranoside C27H30O17 626.148299 NA MeJP NA NA +MJ086958 3',4',5,6,7-Pentahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O17 626.148299 NA MeJP NA NA +MJ086959 3',4',5,6,7-Pentahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O17 626.148299 NA MeJP NA NA +MJ086960 3',4',5,7,8-Pentahydroxyflavone; 7-O-[?-D-Allopyranosyl-(1?2)-D-glucopyranoside] C27H30O17 626.148299 NA MeJP NA NA +MJ086961 3',4',5,7,8-Pentahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O17 626.148299 NA MeJP NA NA +MJ086962 3',4',5,7,8-Pentahydroxyflavone; 8-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O17 626.148299 NA MeJP NA NA +MJ086963 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-D-Galactopyranoside, 3'-O-?-L-rhamnopyranoside C27H30O17 626.148299 NA MeJP NA NA +MJ086964 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C27H30O17 626.148299 NA MeJP NA NA +MJ086965 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O17 626.148299 NA MeJP NA NA +MJ086966 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 3'-O-?-D-glucopyranoside C27H30O17 626.148299 NA MeJP NA NA +MJ086967 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-?-D-glucopyranoside C27H30O17 626.148299 NA MeJP NA NA +MJ086968 3,3',4',5,6,7-Hexahydroxyflavone; 3-O-?-D-Glucopyranoside, 7-O-?-L-rhamnofuranoside C27H30O17 626.148299 NA MeJP NA NA +MJ086969 3,3',4',5,7,8-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O17 626.148299 NA MeJP NA NA +MJ086970 3,3',4',5,7,8-Hexahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranoside] C27H30O17 626.148299 NA MeJP NA NA +MJ086971 3,3',4',5,7,8-Hexahydroxyflavone; 7-O-?-L-Rhamnopyranoside, 8-O-?-D-glucopyranoside C27H30O17 626.148299 NA MeJP NA NA +MJ086972 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C27H30O17 626.148299 NA MeJP NA NA +MJ086973 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-mannopyranoside] C27H30O17 626.148299 NA MeJP NA NA +MJ086974 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O17 626.148299 NA MeJP NA NA +MJ086975 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C27H30O17 626.148299 NA MeJP NA NA +MJ086976 3,4',5,6,7,8-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O17 626.148299 NA MeJP NA NA +MJ086977 3,4',5,6,7-Pentahydroxyflavone; 3,6-Di-O-?-D-glucopyranoside C27H30O17 626.148299 NA MeJP NA NA +MJ086978 3,4',5,7,8-Pentahydroxyflavone; 3,8-Di-O-?-D-glucopyranoside C27H30O17 626.148299 NA MeJP NA NA +MJ086979 3,4',5,7,8-Pentahydroxyflavone; 8-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H30O17 626.148299 NA MeJP NA NA +MJ086980 4',5,6,7,8-Pentahydroxyflavone; 6,8-Di-O-?-D-glucopyranoside C27H30O17 626.148299 NA MeJP NA NA +MJ086981 6,8-Diglucopyranosyl-3',4',5,5',7-pentahydroxyflavone C27H30O17 626.148299 NA MeJP NA NA +MJ086982 Hyperin; 2''-O-?-D-Glucopyranosyl C27H30O17 626.148299 NA MeJP NA NA +MJ086983 Hyperin; 4''-O-?-D-Galactopyranosyl C27H30O17 626.148299 NA MeJP NA NA +MJ086984 Hyperin; 4''-O-?-D-Glucopyranosyl C27H30O17 626.148299 NA MeJP NA NA +MJ086985 Hyperin; 5-O-?-Galactopyranoside C27H30O17 626.148299 NA MeJP NA NA +MJ086986 Hyperin; 6''-O-?-D-Glucopyranosyl C27H30O17 626.148299 NA MeJP NA NA +MJ086987 Isoquercitrin; 2''-O-?-D-Galactopyranosyl C27H30O17 626.148299 NA MeJP NA NA +MJ086988 Isoquercitrin; 3''-O-?-D-Glucopyranosyl C27H30O17 626.148299 NA MeJP NA NA +MJ086989 Isoquercitrin; 3'-O-?-D-Glucopyranoside C27H30O17 626.148299 NA MeJP NA NA +MJ086990 Isoquercitrin; 4'-O-?-D-Glucopyranoside C27H30O17 626.148299 NA MeJP NA NA +MJ086991 Isoquercitrin; 6''-O-D-Galactopyranosyl C27H30O17 626.148299 NA MeJP NA NA +MJ086992 Isoquercitrin; 7-O-?-D-Glucopyranoside C27H30O17 626.148299 NA MeJP NA NA +MJ086993 Quercimeritrin; 3-O-?-D-Galactopyranoside C27H30O17 626.148299 NA MeJP NA NA +MJ086994 Quercimeritrin; 4'-O-?-D-Glucopyranoside C27H30O17 626.148299 NA MeJP NA NA +MJ086995 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3,5-Di-O-?-D-glucopyranoside C27H31O17(+) 626.148299 NA MeJP NA NA +MJ086996 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3,7-Di-O-?-D-glucopyranoside C27H31O17(+) 626.148299 NA MeJP NA NA +MJ086997 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C27H31O17(+) 626.148299 NA MeJP NA NA +MJ086998 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H31O17(+) 626.148299 NA MeJP NA NA +MJ086999 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[Glucosyl-(1??)-glucoside] C27H31O17(+) 626.148299 NA MeJP NA NA +MJ087000 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[Glucosyl-(??)-glucoside] C27H31O17(+) 626.148299 NA MeJP NA NA +MJ087001 3,3',4'5,5',6,7-Heptahydroxyflavylium(1+); 3-O-Rutinoside C27H31O17(+) 626.148299 NA MeJP NA NA +C12667 Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside C27H30O17 626.1483 NA KEGG NA NA +PJ010018 SPCCCD C21H34N6O10S3 626.1499 NA PeJP NA NA +PJ010019 GCCCNQ C20H34N8O9S3 626.1611 NA PeJP NA NA +MJ087002 Chartreusin; 3''-O-De-Me C31H30O14 626.163555 NA MeJP NA NA +PJ010020 GSCDDM C21H34N6O12S2 626.1676 NA PeJP NA NA +PJ010021 APCCCM C22H38N6O7S4 626.1685 NA PeJP NA NA +MJ087003 Kuwanon L C35H30O11 626.178811 NA MeJP NA NA +PJ010022 SSCCNN C20H34N8O11S2 626.1789 NA PeJP NA NA +PJ010023 SCCEW C25H34N6O9S2 626.1829 NA PeJP NA NA +FL2FBCGS0002 5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside C28H34O16 626.18468 114454-39-6 knapsack NA NA +FL4DAEGS0001 Anacheiloside C28H34O16 626.18468 102904-44-9 knapsack NA NA +FL4DCAGS0001 Micrantoside C28H34O16 626.18468 79852-11-2 knapsack NA NA +MJ087004 1,2,3,4,5-Pentahydroxyxanthone; 2,3,4,5-Tetra-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C28H34O16 626.184685 NA MeJP NA NA +MJ087005 1,2,3,4,7-Pentahydroxyxanthone; 2,3,4,7-Tetra-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C28H34O16 626.184685 NA MeJP NA NA +MJ087006 1,2,3,5,7-Pentahydroxyxanthone; 2,3,5,7-Tetra-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C28H34O16 626.184685 NA MeJP NA NA +MJ087007 1,2,3,5-Tetrahydroxyxanthone; 2,3,5-Tri-Me ether, 1-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C28H34O16 626.184685 NA MeJP NA NA +MJ087008 1,2,3,7-Tetrahydroxyxanthone; 2,3,7-Tri-Me ether, 1-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C28H34O16 626.184685 NA MeJP NA NA +MJ087009 1,4,5,7-Tetrahydroxyxanthone; 1,4,5-Tri-Me ether, 7-O-[?-D-glucopyranosyl-(1?2)-?-D-galactopyranoside] C28H34O16 626.184685 NA MeJP NA NA +MJ087010 2,4-Diglucosyl-1,3,6,7-tetrahydroxyxanthone; 3,6,7-Tri-Me ether C28H34O16 626.184685 NA MeJP NA NA +MJ087011 3',4',5,7-Tetrahydroxyflavanone, 5-Me ether, 7-O-[?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C28H34O16 626.184685 NA MeJP NA NA +MJ087012 3,3',4',5,7-Pentahydroxyflavanone, 4'-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H34O16 626.184685 NA MeJP NA NA +MJ087013 5,7,9,10-Tetrahydroxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one; 5,7-Di-Me ether, 9-O-[?-D-allopyranosyl-(1?6)-?-D-glucopyranoside] C28H34O16 626.184685 NA MeJP NA NA +MJ087014 5,7,9,10-Tetrahydroxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one; 5,7-Di-Me ether, 9-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C28H34O16 626.184685 NA MeJP NA NA +PJ010024 SSSCDE C21H34N6O14S 626.1854 NA PeJP NA NA +PJ010025 CNEMM C22H38N6O9S3 626.1863 NA PeJP NA NA +MJ087015 Sorocenol D C39H30O8 626.194067 NA MeJP NA NA +PJ010026 CCDMR C21H38N8O8S3 626.1975 NA PeJP NA NA +PJ010027 CNDEF C25H34N6O11S 626.2007 NA PeJP NA NA +PJ010028 GCMMW C26H38N6O6S3 626.2015 NA PeJP NA NA +PJ010029 GSSDMM C22H38N6O11S2 626.204 NA PeJP NA NA +PJ010030 CCQHH C23H34N10O7S2 626.2054 NA PeJP NA NA +PJ010031 CNNNY C24H34N8O10S 626.2119 NA PeJP NA NA +MJ087016 3,3',4,4',9,9'-Hexahydroxylignan, 9,9'-Bis(4-hydroxycinnamoyl) C36H34O10 626.215197 NA MeJP NA NA +PJ010032 GCDFW C29H34N6O8S 626.2159 NA PeJP NA NA +PJ010033 SNDEY C25H34N6O13 626.2184 NA PeJP NA NA +PJ010034 STCMW C26H38N6O8S2 626.2193 NA PeJP NA NA +MJ087017 2',3',4',7-Tetrahydroxyisoflavan, 3',4'-Di-Me ether, 2',7-di-O-?-D-glucopyranoside C29H38O15 626.22107 NA MeJP NA NA +MJ087018 3-Phenyl-1-(2,3,4,6-tetrahydroxyphenyl)-1-propanone; 3',6'-Di-Me ether, 4'-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C29H38O15 626.22107 NA MeJP NA NA +MJ087019 4,5,7-Trihydroxy-6-hydroxymethyl-8-methylflavan, 5,7-Di-O-?-D-glucopyranoside C29H38O15 626.22107 NA MeJP NA NA +FL1DE9GS0001 Salicifolioside A;2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone 4'-glucosyl-(1'''->6'')-glucoside;2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone 4'-gentiobioside C29H38O15 626.22107 243130-37-2 knapsack NA NA +FL64A9GM0001 Pneumatopterin A;4'-Demethoxytriphyllin A;bis-(2S,4R)-3,4-dihydro-4-hydroxy-6-(hydroxymethyl)-8-methyl-2-phenyl-2H-1-benzopyran-5,7-diyl beta-D-Glucopyranoside C29H38O15 626.22107 192643-12-2 knapsack NA NA +PJ010035 SSSSEM C22H38N6O13S 626.2218 NA PeJP NA NA +PJ010036 SQMMM C23H42N6O8S3 626.2226 NA PeJP NA NA +PJ010037 GGTMMM C23H42N6O8S3 626.2227 NA PeJP NA NA +PJ010038 GSSCHH C23H34N10O9S 626.2231 NA PeJP NA NA +PJ010039 GSPDDH C24H34N8O12 626.2297 NA PeJP NA NA +PJ010040 APPCCH C25H38N8O7S2 626.2305 NA PeJP NA NA +PJ010041 GSDYW C29H34N6O10 626.2337 NA PeJP NA NA +PJ010042 SCMMR C22H42N8O7S3 626.2339 NA PeJP NA NA +MJ087020 Agrimols; Agrimol E C33H38O12 626.236326 NA MeJP NA NA +MJ087021 Filixic acids; Filixic acid ABP C33H38O12 626.236326 NA MeJP NA NA +MJ087022 Trisdesaspidins; Trisdesaspidin PBP C33H38O12 626.236326 NA MeJP NA NA +PJ010043 GQEMY C26H38N6O10S 626.237 NA PeJP NA NA +PJ010044 GSTTMM C23H42N6O10S2 626.2404 NA PeJP NA NA +PJ010045 NNNEH C23H34N10O11 626.2409 NA PeJP NA NA +PJ010046 CCKHH C24H38N10O6S2 626.2417 NA PeJP NA NA +PJ010047 GCERY C25H38N8O9S 626.2483 NA PeJP NA NA +PJ010048 QMYW C30H38N6O7S 626.2523 NA PeJP NA NA +PJ010049 STQEY C26H38N6O12 626.2548 NA PeJP NA NA +PJ010050 AQMMF C27H42N6O7S2 626.2557 NA PeJP NA NA +PJ010051 GNNHW C27H34N10O8 626.2561 NA PeJP NA NA +MJ087023 1,7-Bis(3,4-dihydroxyphenyl)-3-heptanol, 3-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C30H42O14 626.257456 NA MeJP NA NA +PJ010052 SSTTTM C23H42N6O12S 626.2582 NA PeJP NA NA +PJ010053 SKMMM C24H46N6O7S3 626.259 NA PeJP NA NA +PJ010054 PCDHR C24H38N10O8S 626.2595 NA PeJP NA NA +MJ087024 1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 1,6-Bis(3-pyridinecarbonyl), 9-cinnamoyl C36H38N2O8 626.262816 NA MeJP NA NA +PJ010055 CRYW C29H38N8O6S 626.2635 NA PeJP NA NA +PJ010056 SSDRY C25H38N8O11 626.266 NA PeJP NA NA +PJ010057 GGGGAPPD C25H38N8O11 626.2661 NA PeJP NA NA +PJ010058 ACMFR C26H42N8O6S2 626.2669 NA PeJP NA NA +PJ010059 GTTYW C30H38N6O9 626.27 NA PeJP NA NA +PJ010060 GGAPYY C30H38N6O9 626.2701 NA PeJP NA NA +MJ087025 1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 8-(2-furancarbonyl), 2-(2-methylbutanoyl), 1-Ac C34H42O11 626.272712 NA MeJP NA NA +MJ087026 19-Hydroxyingol; 7-Phenylacetyl, 3,12,19-tri-Ac C34H42O11 626.272712 NA MeJP NA NA +MJ087027 Detigloylswietenine; 8?,30?-Epoxide, 3-tigloyl, 6-Ac C34H42O11 626.272712 NA MeJP NA NA +MJ087028 Humilinolide C; 6R-Acetoxy, 2-de-Ac C34H42O11 626.272712 NA MeJP NA NA +MJ087029 Swietenolide; 2-Hydroxy, 3-tigloyl, 6-Ac C34H42O11 626.272712 NA MeJP NA NA +PJ010061 GKEMY C27H42N6O9S 626.2734 NA PeJP NA NA +MetaCyc03994 RCC [red chlorophyll catabolite;red bilin;] C35H38N4O7 626.27405 NA metacyc NA NA +C18022 Red chlorophyll catabolite C35H38N4O7 626.2741 NA KEGG NA NA +PJ010062 GEEHR C24H38N10O10 626.2773 NA PeJP NA NA +MJ087030 Guamecycline C29H38N8O8 626.28126 NA MeJP NA NA +PJ010063 GVEHW C29H38N8O8 626.2813 NA PeJP NA NA +MJ087031 Ajadinine C33H42N2O10 626.283945 NA MeJP NA NA +PJ010064 GTMRY C26H42N8O8S 626.2846 NA PeJP NA NA +PJ010065 PDKMH C26H42N8O8S 626.2847 NA PeJP NA NA +PJ010066 QFFW C34H38N6O6 626.2853 NA PeJP NA NA +MJ087032 Aplysiatoxin; Debromo, 19-chloro C32H47ClO10 626.285775 NA MeJP NA NA +PJ010067 SNNHR C23H38N12O9 626.2885 NA PeJP NA NA +PJ010068 KMYW C31H42N6O6S 626.2887 NA PeJP NA NA +PJ010069 STKEY C27H42N6O11 626.2912 NA PeJP NA NA +PJ010070 AKMMF C28H46N6O6S2 626.292 NA PeJP NA NA +PJ010071 VCKMF C28H46N6O6S2 626.2921 NA PeJP NA NA +PJ010072 EHRW C28H38N10O7 626.2925 NA PeJP NA NA +MJ087033 4,18:11,16:15,16-Triepoxy-2,3,6,15,19-clerodanepentol, 3-(3-Acetoxy-2-methylbutanoyl), 6,19-di-Ac C31H46O13 626.293841 NA MeJP NA NA +MJ087034 Anodendrosin A C31H46O13 626.293841 NA MeJP NA NA +PJ010073 SPMHR C25H42N10O7S 626.2959 NA PeJP NA NA +PJ010074 VHWW C33H38N8O5 626.2965 NA PeJP NA NA +MJ087035 11,17,21-Trihydroxypregn-4-ene-3,20-dione, 21-[(1-Benzyl-1H-indazol-3-yl)oxy]acetate C37H42N2O7 626.299201 NA MeJP NA NA +MJ087036 Chillanamine C37H42N2O7 626.299201 NA MeJP NA NA +MJ087037 Magnolamine C37H42N2O7 626.299201 NA MeJP NA NA +PJ010075 STTRY C26H42N8O10 626.3024 NA PeJP NA NA +PJ010076 PPVEW C31H42N6O8 626.3064 NA PeJP NA NA +MJ087038 Spumigin B1 C31H42N6O8 626.306412 NA MeJP NA NA +MJ087039 5,11-Jatrophadiene-3,7,9,14,15-pentol, 3-Benzoyl, 7,9,14,15-tetra-Ac C35H46O10 626.309097 NA MeJP NA NA +MJ087040 Bonaspectin D; 7''-Deoxy, 4''-Me ether C35H46O10 626.309097 NA MeJP NA NA +MJ087041 Bonaspectin D; 8-Epimer, 7''-deoxy, 4''-Me ether C35H46O10 626.309097 NA MeJP NA NA +MJ087042 Nimbolinin B C35H46O10 626.309097 NA MeJP NA NA +PJ010077 SVKMY C28H46N6O8S 626.3098 NA PeJP NA NA +PJ010078 SVEHR C25H42N10O9 626.3136 NA PeJP NA NA +PJ010079 VTDHR C25H42N10O9 626.3137 NA PeJP NA NA +PJ010080 ATLHW C30H42N8O7 626.3177 NA PeJP NA NA +PJ010081 VLQMH C27H46N8O7S 626.321 NA PeJP NA NA +PJ010082 GGLLMH C27H46N8O7S 626.3211 NA PeJP NA NA +PJ010083 KFFW C35H42N6O5 626.3217 NA PeJP NA NA +PJ010084 APPTLE C28H46N6O10 626.3276 NA PeJP NA NA +PJ010085 APHFR C29H42N10O6 626.3289 NA PeJP NA NA +MJ087043 15,16-Epoxy-8,13(16),14-labdatrien-3-ol, 3-O-Sophoroside C32H50O12 626.330227 NA MeJP NA NA +PJ010086 ALMHR C26H46N10O6S 626.3323 NA PeJP NA NA +PJ010087 TLKEH C27H46N8O9 626.3388 NA PeJP NA NA +MJ087044 Halotoxin C32H46N6O7 626.342797 NA MeJP NA NA +PJ010088 GLKFY C32H46N6O7 626.3428 NA PeJP NA NA +MJ087045 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 3-(4-Hydroxycinnamoyl) C36H50O9 626.345483 NA MeJP NA NA +MJ087046 2,3,5,14,20,22,24-Heptahydroxycholest-7-en-6-one, 2-Cinnamoyl C36H50O9 626.345483 NA MeJP NA NA +MJ087047 2,3,5,14,20,22,25-Heptahydroxycholest-7-en-6-one, 2-O-Cinnamoyl C36H50O9 626.345483 NA MeJP NA NA +MJ087048 Milbemycin ?1; 26-O-(3-Methyl-2-butenoyloxy) C36H50O9 626.345483 NA MeJP NA NA +MJ087049 Milbemycin ?1; 26-O-(Tigloyloxy) C36H50O9 626.345483 NA MeJP NA NA +PJ010089 GPPLLM C29H50N6O7S 626.3462 NA PeJP NA NA +PJ010090 TTLHR C26H46N10O8 626.35 NA PeJP NA NA +PJ010091 GGGAPLR C26H46N10O8 626.3501 NA PeJP NA NA +PJ010092 PVKHF C31H46N8O6 626.3541 NA PeJP NA NA +MJ087050 Ansatrienin B; N-Deacyl, N-(4-methylpentanoyl) C35H50N2O8 626.356716 NA MeJP NA NA +PJ010093 VLKMH C28H50N8O6S 626.3574 NA PeJP NA NA +PJ010094 APQRR C25H46N12O7 626.3613 NA PeJP NA NA +PJ010095 SPPTLL C29H50N6O9 626.3639 NA PeJP NA NA +PJ010096 GPVLLE C29H50N6O9 626.364 NA PeJP NA NA +C09078 Cotylenin F C33H54O11 626.3666 NA KEGG NA NA +MJ087051 2,3,14,20,22-Pentahydroxycholest-7-en-6-one, 3-O-?-D-Glucopyranoside C33H54O11 626.366612 NA MeJP NA NA +MJ087052 3,14,20,22,25-Pentahydroxycholest-7-en-6-one, 3-O-?-D-Glucopyranoside C33H54O11 626.366612 NA MeJP NA NA +MJ087053 3,5,14,22,25-Pentahydroxycholest-7-en-6-one, 3-O-?-D-Glucopyranoside C33H54O11 626.366612 NA MeJP NA NA +MJ087054 Aurenin C33H54O11 626.366612 NA MeJP NA NA +MJ087055 Chainin; Stereoisomer, 1'-hydroxy C33H54O11 626.366612 NA MeJP NA NA +MJ087056 Chainin; Stereoisomer, 14-hydroxy C33H54O11 626.366612 NA MeJP NA NA +MJ087057 Cotylenin F C33H54O11 626.366612 NA MeJP NA NA +MJ087058 Cotylenin G C33H54O11 626.366612 NA MeJP NA NA +MJ087059 Spirostane-1,3,4,5-tetrol; 5-O-?-D-Glucopyranoside C33H54O11 626.366612 NA MeJP NA NA +MJ087060 Spirostane-2,3,5,6-tetrol, 3-O-?-D-Glucopyranoside C33H54O11 626.366612 NA MeJP NA NA +PJ010097 PLLER C28H50N8O8 626.3752 NA PeJP NA NA +PJ010098 PVLLW C33H50N6O6 626.3792 NA PeJP NA NA +MJ087061 Antibiotic S 541; Antibiotic S 541F C37H54O8 626.381868 NA MeJP NA NA +MJ087062 Gentinone A; 7-Ac C37H54O8 626.381868 NA MeJP NA NA +MJ087063 Nemadectin ? C37H54O8 626.381868 NA MeJP NA NA +PJ010099 PVQKR C27H50N10O7 626.3864 NA PeJP NA NA +MJ087064 6-Chloro-4,5-epoxystigmastan-3-ol, 3-O-?-D-Glucopyranoside C35H59ClO7 626.394931 NA MeJP NA NA +PJ010100 APKRR C26H50N12O6 626.3977 NA PeJP NA NA +PJ010101 APTLLL C30H54N6O8 626.4003 NA PeJP NA NA +MJ087065 Cholest-22-ene-3,4,6,8,15,24-hexol, 3-O-[2,4-Di-O-methyl-?-D-xylopyranoside] C34H58O10 626.402998 NA MeJP NA NA +MJ087066 Ergost-24(28)-ene-3,6,8,15,16,26-hexol, 3-O-(2-O-Methyl-?-D-xylopyranoside) C34H58O10 626.402998 NA MeJP NA NA +3628 NA RKPKV 626.409 ACE inhibitor Inhouse_peptide NA peptide +MJ087067 Tocofibrate C39H59ClO4 626.410188 NA MeJP NA NA +PJ010102 AAPLKK C29H54N8O7 626.4116 NA PeJP NA NA +PJ010103 PVKKR C28H54N10O6 626.4228 NA PeJP NA NA +MJ087068 Flexixanthin; 2'-Hydroxy, 1',3-di-Me ether C42H58O4 626.43351 NA MeJP NA NA +MJ087069 Peltatol A C42H58O4 626.43351 NA MeJP NA NA +MJ087070 Peltatol B C42H58O4 626.43351 NA MeJP NA NA +MJ087071 Peltatol C C42H58O4 626.43351 NA MeJP NA NA +PJ010104 GVLLLL C31H58N6O7 626.4367 NA PeJP NA NA +PJ010105 LLLLR C30H58N8O6 626.448 NA PeJP NA NA +HMDB07092 DG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C40H66O5 626.491028 NA HMDB2010 NA NA +HMDB07764 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0/0:0) C40H66O5 626.491028 NA HMDB2010 NA NA +MJ087072 2-Hentriacontyl-5,7-dihydroxy-6-methyl-4H-1-benzopyran-4-one C41H70O4 626.52741 NA MeJP NA NA +MJ087073 Maedamine A C23H24Br3N3O3 626.936779 NA MeJP NA NA +MJ087074 Micacocidins; Zn complex C27H37N3O4S3Zn 627.123765 NA MeJP NA NA +FL7AAGGL0018 Delphinidin 3-caffeylglucoside C30H27O15 627.13499 - knapsack NA NA +C16367 Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside) C30H27O15 627.135 NA KEGG NA NA +MJ087075 Antibiotic TAN 643 C19H29N7O15S 627.144233 NA MeJP NA NA +PJ010106 GCCCNE C20H33N7O10S3 627.1451 NA PeJP NA NA +MJ087076 Cefbuperazone C22H29N9O9S2 627.152964 NA MeJP NA NA +C16307 Delphinidin 3-O-sophoroside C27H31O17 627.1561 NA KEGG NA NA +C16312 Delphin C27H31O17 627.1561 NA KEGG NA NA +FL7AAGGL0004 Delphinidin 3-sophoroside C27H31O17 627.15612 59212-40-7 knapsack NA NA +FL7AAGGL0007 Delphin;Delphinidin 3,5-diglucoside C27H31O17 627.15612 17670-06-3 knapsack NA NA +FL7AAGGL0008 Delphinidin 3,7-diglucoside C27H31O17 627.15612 64963-56-0 knapsack NA NA +FL7AAGGL0038 Delphinidin 3-gentiobioside C27H31O17 627.15612 55169-25-0 knapsack NA NA +FL7AEGGL0001 6-Hydroxydelphinidin 3-rutinoside C27H31O17 627.15612 115713-29-6 knapsack NA NA +MetaCyc03995 delphinidin-3,5-diglucoside [] C27H31O17 627.156125 NA metacyc NA NA +PJ010107 CCCNW C24H33N7O7S3 627.1604 NA PeJP NA NA +PJ010108 SSCCND C20H33N7O12S2 627.1629 NA PeJP NA NA +PJ010109 CDEMM C22H37N5O10S3 627.1703 NA PeJP NA NA +MJ087077 Geodiamolide D C27H38IN3O6 627.180529 NA MeJP NA NA +PJ010110 GSCCQM C21H37N7O9S3 627.1815 NA PeJP NA NA +PJ010111 CDDEF C25H33N5O12S 627.1847 NA PeJP NA NA +PJ010112 CCEHH C23H33N9O8S2 627.1894 NA PeJP NA NA +PJ010113 GSCCCR C20H37N9O8S3 627.1928 NA PeJP NA NA +PJ010114 CNNDY C24H33N7O11S 627.1959 NA PeJP NA NA +PJ010115 SSSCNM C21H37N7O11S2 627.1993 NA PeJP NA NA +PJ010116 SDDEY C25H33N5O14 627.2024 NA PeJP NA NA +PJ010117 PCDMY C26H37N5O9S2 627.2033 NA PeJP NA NA +PJ010118 SEMMM C23H41N5O9S3 627.2067 NA PeJP NA NA +PJ010119 CNNMF C25H37N7O8S2 627.2145 NA PeJP NA NA +PJ010120 GSSSSTC C21H37N7O13S 627.217 NA PeJP NA NA +PJ010121 GSCCKM C22H41N7O8S3 627.2179 NA PeJP NA NA +PJ010122 ADEMY C26H37N5O11S 627.221 NA PeJP NA NA +PJ010123 GEEMY C26H37N5O11S 627.2211 NA PeJP NA NA +PJ010124 PCMMF C27H41N5O6S3 627.2219 NA PeJP NA NA +PJ010125 NNDEH C23H33N9O12 627.2249 NA PeJP NA NA +PJ010126 CLMMM C24H45N5O6S4 627.2253 NA PeJP NA NA +PJ010127 TCMHH C24H37N9O7S2 627.2258 NA PeJP NA NA +MJ087078 Adriamycin; 4'-O-(Tetrahydropyran-2-yl) C32H37NO12 627.231575 NA MeJP NA NA +MJ087079 Nocardicyclin A; 4'-Ac C32H37NO12 627.231575 NA MeJP NA NA +PJ010128 SNNMY C25H37N7O10S 627.2323 NA PeJP NA NA +PJ010129 SSSSSSS C21H37N7O15 627.2348 NA PeJP NA NA +PJ010130 SSTCCK C22H41N7O10S2 627.2357 NA PeJP NA NA +PJ010131 EMYW C30H37N5O8S 627.2363 NA PeJP NA NA +PJ010132 STEEY C26H37N5O13 627.2388 NA PeJP NA NA +PJ010133 SPMMY C27H41N5O8S2 627.2397 NA PeJP NA NA +PJ010134 GNDHW C27H33N9O9 627.2402 NA PeJP NA NA +PJ010135 GSPCQH C24H37N9O9S 627.2435 NA PeJP NA NA +HMDB06698 Tri-N-acetylchitotriose C24H41N3O16 627.248657 NA HMDB2010 NA NA +HMDB06698 Tri-N-acetylchitotriose C24H41N3O16 627.24866 http://www.hmdb.ca/metabolites/HMDB06698 HMDB NA NA +HMDB06698 Tri-N-acetylchitotriose C24H41N3O16 627.24866 HMDB06698 PFEM_hmdb_metabocards_official NA NA +MJ087080 Chitotriose; N,N',N''-Tri-Ac C24H41N3O16 627.248682 NA MeJP NA NA +PJ010136 GSSSQY C25H37N7O12 627.25 NA PeJP NA NA +PJ010137 LDDEH C25H37N7O12 627.2501 NA PeJP NA NA +PJ010138 CCQKF C26H41N7O7S2 627.2509 NA PeJP NA NA +PJ010139 GPEYY C30H37N5O10 627.2541 NA PeJP NA NA +3815 NA WYYP 627.257 ACE inhibitor Inhouse_peptide NA peptide +PJ010140 SVEMY C27H41N5O10S 627.2574 NA PeJP NA NA +PJ010141 GMHHF C28H37N9O6S 627.2588 NA PeJP NA NA +PJ010142 SQQEH C24H37N9O11 627.2613 NA PeJP NA NA +PJ010143 PPNDW C29H37N7O9 627.2653 NA PeJP NA NA +PJ010144 SCQKY C26H41N7O9S 627.2687 NA PeJP NA NA +PJ010145 PYYW C34H37N5O7 627.2693 NA PeJP NA NA +PJ010146 SNDHR C23H37N11O10 627.2725 NA PeJP NA NA +PJ010147 APMFY C31H41N5O7S 627.2727 NA PeJP NA NA +PJ010148 ALMMY C28H45N5O7S2 627.2761 NA PeJP NA NA +PJ010149 GTQHW C28H37N9O8 627.2765 NA PeJP NA NA +PJ010150 GGGGPHF C28H37N9O8 627.2766 NA PeJP NA NA +8241 Antioxidative peptide LGFEY 627.278 NA ;SYN:(+)-S-Lysine; (S)-2,6-Diaminohexanoate; (S)-2,6-Diaminohexanoic acid; (S)-2,6-diamino-Hexanoate; (S)-2,6-diamino-Hexanoic acid; (S)-Lysine; (S)-a,e-Diaminocaproate; (S)-a,e-Diaminocaproic acid; 2,6-Diaminohexanoate; 2,6-Diaminohexanoic acid; 6-amino-Aminutrin; 6-amino-L-Norleucine; Aminutrin; L-(+)-Lysine; L-2,6-Diainohexanoate; L-2,6-Diainohexanoic acid; L-2,6-Diaminocaproate; L-2,6-Diaminocaproic acid; L-Lys; Lys; Lysine; Lysine acid; a-Lysine; h-Lys-oh; alpha-LysineH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +PJ010151 VNQMH C25H41N9O8S 627.2799 NA PeJP NA NA +PJ010152 PPMHF C30H41N7O6S 627.2839 NA PeJP NA NA +PJ010153 GSSSKY C26H41N7O11 627.2864 NA PeJP NA NA +PJ010154 CCKKF C27H45N7O6S2 627.2873 NA PeJP NA NA +PJ010155 PTHHH C27H37N11O7 627.2878 NA PeJP NA NA +PJ010156 SPVYY C31H41N5O9 627.2904 NA PeJP NA NA +PJ010157 GLEFY C31H41N5O9 627.2905 NA PeJP NA NA +PJ010158 GQMHR C24H41N11O7S 627.2911 NA PeJP NA NA +PJ010159 GGAMHR C24H41N11O7S 627.2912 NA PeJP NA NA +PJ010160 TTLMY C28H45N5O9S 627.2938 NA PeJP NA NA +PJ010161 GSPPDR C25H41N9O10 627.2977 NA PeJP NA NA +PJ010162 PPTQW C30H41N7O8 627.3017 NA PeJP NA NA +PJ010163 GCHRR C23H41N13O6S 627.3024 NA PeJP NA NA +PJ010164 SCKKY C27H45N7O8S 627.305 NA PeJP NA NA +PJ010165 VLEMH C27H45N7O8S 627.3051 NA PeJP NA NA +MJ087081 Cycloaspeptide A; NPhe-de-Me C35H41N5O6 627.305684 NA MeJP NA NA +MJ087082 Cycloaspeptide A; NTyr-de-Me C35H41N5O6 627.305684 NA MeJP NA NA +PJ010166 LFYW C35H41N5O6 627.3057 NA PeJP NA NA +PJ010167 STQHR C24H41N11O9 627.3089 NA PeJP NA NA +PJ010168 ALMFF C32H45N5O6S 627.3091 NA PeJP NA NA +PJ010169 GTKHW C29H41N9O7 627.3129 NA PeJP NA NA +PJ010170 PPQMR C26H45N9O7S 627.3163 NA PeJP NA NA +MJ087083 Phoslactomycin; Phoslactomycin D C31H50NO10P 627.317233 NA MeJP NA NA +MJ087084 8,9-Leukotriene C3 C30H49N3O9S 627.31895 NA MeJP NA NA +PJ010171 GPPTKE C27H45N7O10 627.3228 NA PeJP NA NA +PJ010172 VVHHH C28H41N11O6 627.3242 NA PeJP NA NA +PJ010173 GLLYY C32H45N5O8 627.3268 NA PeJP NA NA +PJ010174 PPCRR C25H45N11O6S 627.3275 NA PeJP NA NA +PJ010175 PVQER C26H45N9O9 627.334 NA PeJP NA NA +PJ010176 GGPLER C26H45N9O9 627.3341 NA PeJP NA NA +PJ010177 PPTKW C31H45N7O7 627.3381 NA PeJP NA NA +MJ087085 4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-(2-Acetoxy-3-dimethylamino-3-phenylpropanoyl), 10-Ac C35H49NO9 627.340732 NA MeJP NA NA +MJ087086 Chasmanine; 14-O-(4-Methoxybenzoyl), 8-Ac C35H49NO9 627.340732 NA MeJP NA NA +MJ087087 Chasmanine; 8-O-(4-Methoxybenzoyl), 14-Ac C35H49NO9 627.340732 NA MeJP NA NA +MJ087088 Talatizamine; O8-(3,4-Dimethoxybenzoyl), O14-Ac C35H49NO9 627.340732 NA MeJP NA NA +MJ087089 Taxine B; 13?-Alcohol, O13-Ac C35H49NO9 627.340732 NA MeJP NA NA +PJ010178 APPCLK C28H49N7O7S 627.3414 NA PeJP NA NA +PJ010179 GPPVKM C28H49N7O7S 627.3415 NA PeJP NA NA +PJ010180 APERR C25H45N11O8 627.3453 NA PeJP NA NA +PJ010181 GPLRW C30H45N9O6 627.3493 NA PeJP NA NA +PJ010182 PPKMR C27H49N9O6S 627.3527 NA PeJP NA NA +EUR798 Lyso PC 22:6 [M-H+acetate]- C30H50NO7P 627.353592 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR798 Lyso PC 22:6 [M-H+acetate]- C30H50NO7P 627.353592 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR798 Lyso PC 22:6 [M-H+acetate]- C30H50NO7P 627.353592 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR798 Lyso PC 22:6 [M-H+acetate]- C30H50NO7P 627.353592 masses lipides attendues Inhousejuil11 NA NA +PJ010183 AAPLKE C28H49N7O9 627.3592 NA PeJP NA NA +PJ010184 PVKER C27H49N9O8 627.3704 NA PeJP NA NA +PJ010185 PVVKW C32H49N7O6 627.3745 NA PeJP NA NA +PJ010186 SPLRR C26H49N11O7 627.3817 NA PeJP NA NA +MJ087090 Antibiotic SF 1902A2 C30H53N5O9 627.384328 NA MeJP NA NA +PJ010187 GPTLLK C29H53N7O8 627.3956 NA PeJP NA NA +MJ087091 Daechuine S3 C34H53N5O6 627.399584 NA MeJP NA NA +MJ087092 Daechuine S8-1 C34H53N5O6 627.399584 NA MeJP NA NA +PJ010188 VLLQR C28H53N9O7 627.4068 NA PeJP NA NA +PJ010189 ALLRR C27H53N11O6 627.4181 NA PeJP NA NA +EUR805 Lyso PC 24:1 [M+Na]+ C32H64NO7P 627.423988 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR805 Lyso PC 24:1 [M+Na]+ C32H64NO7P 627.423988 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR805 Lyso PC 24:1 [M+Na]+ C32H64NO7P 627.423988 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR805 Lyso PC 24:1 [M+Na]+ C32H64NO7P 627.423988 masses lipides attendues Inhousejuil11 NA NA +PJ010190 AALLLK C30H57N7O7 627.432 NA PeJP NA NA +PJ010191 VLLKR C29H57N9O6 627.4432 NA PeJP NA NA +MJ087093 Squalamine C34H65N3O5S 627.464492 NA MeJP NA NA +C16841 Squalamine C34H65N3O5S 627.4645 NA KEGG NA NA +MJ087094 3,3',4,4',5,5'-Hexabromo-2,2'-bi-1H-pyrrole; N,N'-Di-Me C10H6Br6N2 627.563124 NA MeJP NA NA +MJ087095 2-Amino-1,3,4-pentadecanetriol, N-(2R-Hydroxy-21-methyldocosanoyl) C38H77NO5 627.580174 NA MeJP NA NA +MJ087096 2-Amino-1,3,4-pentadecanetriol, N-(2R-Hydroxytricosanoyl) C38H77NO5 627.580174 NA MeJP NA NA +MJ087097 2-Amino-14-methyl-1,3,4-pentadecanetriol, N-(2R-Hydroxydocosanoyl) C38H77NO5 627.580174 NA MeJP NA NA +MJ087098 Iodamide C12H11I3N2O4 627.785287 NA MeJP NA NA +C14165 Metrizoic acid C12H11I3N2O4 627.7853 NA KEGG NA NA +MJ087099 Iosumetic acid C13H15I3N2O3 627.821672 NA MeJP NA NA +MJ087100 4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1-O-(4-Hydroxy-E-cinnamoyl) C29H24O16 628.106434 NA MeJP NA NA +MJ087101 Triumbellatin; 7'-O-(6-Deoxy-?-D-galactopyranoside) C33H24O13 628.12169 NA MeJP NA NA +MJ087102 Triumbellatin; 7'-O-?-L-Rhamnopyranoside C33H24O13 628.12169 NA MeJP NA NA +MJ087103 Triumbellatin; 7-O-?-L-Rhamnopyranoside C33H24O13 628.12169 NA MeJP NA NA +MJ087104 3,3',4',5,5',7,8-Heptahydroxyflavone; 8-O-Glucosylxyloside C26H28O18 628.127564 NA MeJP NA NA +PJ010192 GCCCDE C20H32N6O11S3 628.1292 NA PeJP NA NA +PJ010193 CCCDW C24H32N6O8S3 628.1444 NA PeJP NA NA +PJ010194 SSCCDD C20H32N6O13S2 628.1469 NA PeJP NA NA +PJ010195 PTCCCC C21H36N6O8S4 628.1478 NA PeJP NA NA +FL4DACGS0022 Taxifolin 3-galactosyl-(1->6)-glucoside C27H32O17 628.16394 141736-93-8 knapsack NA NA +MJ087105 1,2,5,6,8-Pentahydroxyxanthone; 5,6-Di-Me ether, 1-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O17 628.163949 NA MeJP NA NA +MJ087106 2,5-Dihydroxybenzoic acid; 5-O-[4-Hydroxy-3,5-dimethoxybenzoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C27H32O17 628.163949 NA MeJP NA NA +MJ087107 3,3',4',5,7-Pentahydroxyflavanone, 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-glucopyranoside] C27H32O17 628.163949 NA MeJP NA NA +MJ087108 3,3',4',5,7-Pentahydroxyflavanone, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C27H32O17 628.163949 NA MeJP NA NA +PJ010196 GSCCEM C21H36N6O10S3 628.1655 NA PeJP NA NA +MJ087109 [Dihydrogen 6-(4-nitrobenzyl)-1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetato(2-)]copper(II) C25H35CuN5O10 628.167993 NA MeJP NA NA +MJ087110 2,5,6-Trihydroxy-9-phenyl-1H-phenalen-1-one; 6-O-Glucosylglucoside C31H32O14 628.179205 NA MeJP NA NA +PJ010197 CNDDY C24H32N6O12S 628.1799 NA PeJP NA NA +PJ010198 SCCMW C25H36N6O7S3 628.1808 NA PeJP NA NA +PJ010199 SSSCDM C21H36N6O12S2 628.1833 NA PeJP NA NA +PJ010200 CNMMM C22H40N6O7S4 628.1841 NA PeJP NA NA +PJ010201 GGCMMM C22H40N6O7S4 628.1842 NA PeJP NA NA +MJ087111 2,5-Dihydroxybenzyl 2-(benzoylmethyl)benzoate; 2'-O-(6-O-Benzoyl-?-D-glucopyranoside) C35H32O11 628.194461 NA MeJP NA NA +MJ087112 Trianguletin; 4'''-Hydroxy, 3-Me ether C35H32O11 628.194461 NA MeJP NA NA +MJ087113 [p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2'-(3-Phenylpropanoyl), 3'-(3-hydroxybutanoyl), 5',6'-di-Ac C35H32O11 628.194461 NA MeJP NA NA +PJ010202 GSPCCY C25H36N6O9S2 628.1985 NA PeJP NA NA +PJ010203 GGCDMF C25H36N6O9S2 628.1986 NA PeJP NA NA +MJ087114 2-Hydroxy-6-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzoic acid, 6-O-?-D-Glucopyranoside, 3'-hydroxy, 4'-Me ether, ?-D-glucopyranosyl ester C28H36O16 628.200335 NA MeJP NA NA +MJ087115 2-Hydroxybenzyl 2,3,6-trihydroxybenzoate; 2,6-Di-Me ether, 2',3-di-O-?-D-glucopyranoside C28H36O16 628.200335 NA MeJP NA NA +MJ087116 Austrocortilutein, 8-O-?-Gentiobioside C28H36O16 628.200335 NA MeJP NA NA +MJ087117 Kalopanaxin B C28H36O16 628.200335 NA MeJP NA NA +MJ087118 Mussaenosidic acid; 2'-O-[4-Hydroxybenzoyl-(?5)-?-D-apiofuranosyl] C28H36O16 628.200335 NA MeJP NA NA +MJ087119 Shanzhiside; 6-(4-Hydroxy-3,5-dimethoxybenzoyl), 8-Ac, Me ester C28H36O16 628.200335 NA MeJP NA NA +PJ010204 GSTCMM C22H40N6O9S3 628.2019 NA PeJP NA NA +MJ087120 Ambamustine C29H39Cl2FN4O4S 628.20531 NA MeJP NA NA +PJ010205 NDDEH C23H32N8O13 628.2089 NA PeJP NA NA +MJ087121 Mulberrofuran K C39H32O8 628.209718 NA MeJP NA NA +MJ087122 Sorocenol E C39H32O8 628.209718 NA MeJP NA NA +PJ010206 ACCFW C29H36N6O6S2 628.2138 NA PeJP NA NA +MJ087123 Scoloposide D C32H36O13 628.215591 NA MeJP NA NA +MJ087124 Uhdoside A C32H36O13 628.215591 NA MeJP NA NA +PJ010207 SNDMY C25H36N6O11S 628.2163 NA PeJP NA NA +C16541 Chlorophyllide b C35H32MgN4O6 628.2172 NA KEGG NA NA +MetaCyc03996 chlorophyllide b [] C35H32N4O6MG1 628.217227 NA metacyc NA NA +PJ010208 SSSSMM C22H40N6O11S2 628.2197 NA PeJP NA NA +PJ010209 GDDHW C27H32N8O10 628.2242 NA PeJP NA NA +PJ010210 GSPCEH C24H36N8O10S 628.2275 NA PeJP NA NA +MJ087125 6-Chloro-2,8,9,11,12,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 12-Butanoyl, 2,9,14-tri-Ac C30H41ClO12 628.228654 NA MeJP NA NA +C09095 Gnidicin C36H36O10 628.2308 NA KEGG NA NA +MJ087126 12-Hydroxydaphnetoxin; 12?-form, 12-Cinnamoyl C36H36O10 628.230847 NA MeJP NA NA +MJ087127 Calycopterone; 7-Me ether C36H36O10 628.230847 NA MeJP NA NA +MJ087128 Daphnetoxin; 12?-Cinnamoyloxy C36H36O10 628.230847 NA MeJP NA NA +PJ010211 SSCFW C29H36N6O8S 628.2315 NA PeJP NA NA +PJ010212 GTCYW C29H36N6O8S 628.2316 NA PeJP NA NA +PJ010213 SSSSDF C25H36N6O13 628.234 NA PeJP NA NA +PJ010214 GSSSEY C25H36N6O13 628.2341 NA PeJP NA NA +PJ010215 GQMMY C26H40N6O8S2 628.2349 NA PeJP NA NA +MJ087129 Laciniatoside V; 7-Ac C29H40O15 628.23672 NA MeJP NA NA +MJ087130 Sylvestroside IV; 7'-Alcohol, 7'-Ac C29H40O15 628.23672 NA MeJP NA NA +PJ010216 NNNMH C23H36N10O9S 628.2388 NA PeJP NA NA +MJ087131 Isothapsakone A C35H36N2O9 628.24208 NA MeJP NA NA +MJ087132 Thapsakin B; 10-Ketone C35H36N2O9 628.24208 NA MeJP NA NA +MJ087133 Thapsakin B; 3,4-Diepimer, 10-ketone C35H36N2O9 628.24208 NA MeJP NA NA +PJ010217 SPCHW C28H36N8O7S 628.2428 NA PeJP NA NA +PJ010218 SQEEH C24H36N8O12 628.2453 NA PeJP NA NA +PJ010219 GCMRY C25H40N8O7S2 628.2462 NA PeJP NA NA +MJ087134 Antibiotic A 201D C29H36N6O10 628.249291 NA MeJP NA NA +PJ010220 SSSYW C29H36N6O10 628.2493 NA PeJP NA NA +MJ087135 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 1,4,13-tri-Ac C33H40O12 628.251976 NA MeJP NA NA +MJ087136 Polystachin; 12-O-Deacyl, 12-O-(2-hydroxy-3-methylpentanoyl) C33H40O12 628.251976 NA MeJP NA NA +PJ010221 STQMY C26H40N6O10S 628.2527 NA PeJP NA NA +PJ010222 SDDHR C23H36N10O11 628.2565 NA PeJP NA NA +PJ010223 GGGGGGGGGP C23H36N10O11 628.2566 NA PeJP NA NA +PJ010224 GTEHW C28H36N8O9 628.2606 NA PeJP NA NA +PJ010225 STCRY C25H40N8O9S 628.2639 NA PeJP NA NA +PJ010226 NFYW C33H36N6O7 628.2646 NA PeJP NA NA +C09179 Resiniferatoxin C37H40O9 628.2672 NA KEGG NA NA +MJ087137 Resiniferatoxin C37H40O9 628.267232 NA MeJP NA NA +PJ010227 GQMFF C30H40N6O7S 628.2679 NA PeJP NA NA +PJ010228 GGAMFF C30H40N6O7S 628.268 NA PeJP NA NA +PJ010229 GSTTTY C26H40N6O12 628.2704 NA PeJP NA NA +PJ010230 GPPTEE C26H40N6O12 628.2705 NA PeJP NA NA +PJ010231 GKMMY C27H44N6O7S2 628.2713 NA PeJP NA NA +PJ010232 CNQKH C24H40N10O8S 628.2751 NA PeJP NA NA +PJ010233 GEMHR C24H40N10O8S 628.2752 NA PeJP NA NA +PJ010234 THWW C32H36N8O6 628.2758 NA PeJP NA NA +MJ087138 Aglaine B; 10-Epimer, 19,20-didehydro(E-) C36H40N2O8 628.278466 NA MeJP NA NA +PJ010235 GVMHW C29H40N8O6S 628.2792 NA PeJP NA NA +PJ010236 SKEEH C25H40N8O11 628.2817 NA PeJP NA NA +PJ010237 AQHHH C26H36N12O7 628.283 NA PeJP NA NA +PJ010238 PPTEW C30H40N6O9 628.2857 NA PeJP NA NA +MJ087139 6-Acetoxy-14,15-epoxy-3,11-dihydroxymeliaca-1,5-dien-7-one, 3-O-L-Rhamnopyranoside C34H44O11 628.288362 NA MeJP NA NA +MJ087140 Compositolide C34H44O11 628.288362 NA MeJP NA NA +PJ010239 STKMY C27H44N6O9S 628.2891 NA PeJP NA NA +C18098 Primary fluorescent chlorophyll catabolite C35H40N4O7 628.2897 NA KEGG NA NA +MetaCyc03997 pFCC [primary fluorescent catabolite;] C35H40N4O7 628.2897 NA metacyc NA NA +PJ010240 MHRW C28H40N10O5S 628.2904 NA PeJP NA NA +PJ010241 STEHR C24H40N10O10 628.2929 NA PeJP NA NA +PJ010242 SSLHW C29H40N8O8 628.2969 NA PeJP NA NA +2722 erythromycin inhibitor MSRHV 628.2994 NA Inhouse_peptide NA peptide +PJ010243 PPEMR C26H44N8O8S 628.3003 NA PeJP NA NA +C10062 Gambogic acid C38H44O8 628.3036 NA KEGG NA NA +MJ087141 3,5,9,15-Tetrahydroxy-6(17),11-jatrophadien-14-one, 3-Benzoyl, 9-cinnamoyl, 5-Ac C38H44O8 628.303618 NA MeJP NA NA +MJ087142 Gambogellic acid C38H44O8 628.303618 NA MeJP NA NA +MJ087143 Gambogic acid C38H44O8 628.303618 NA MeJP NA NA +MJ087144 Morellin; 7-(3-Methyl-2-butenyl), 29-carboxylic acid C38H44O8 628.303618 NA MeJP NA NA +PJ010244 PPVMW C31H44N6O6S 628.3043 NA PeJP NA NA +PJ010245 AAPLEE C27H44N6O11 628.3068 NA PeJP NA NA +PJ010246 GPNRW C28H40N10O7 628.3082 NA PeJP NA NA +PJ010247 SVMHR C25H44N10O7S 628.3115 NA PeJP NA NA +PJ010248 GGCKKH C25H44N10O7S 628.3116 NA PeJP NA NA +PJ010249 PVEER C26H44N8O10 628.3181 NA PeJP NA NA +PJ010250 AKHHH C27H40N12O6 628.3194 NA PeJP NA NA +PJ010251 PVVEW C31H44N6O8 628.3221 NA PeJP NA NA +MJ087145 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Benzoyl, 3-O-?-D-cymaropyranoside C35H48O10 628.324747 NA MeJP NA NA +PJ010252 APPTLM C28H48N6O8S 628.3255 NA PeJP NA NA +PJ010253 PNDKR C25H44N10O9 628.3293 NA PeJP NA NA +PJ010254 APQKW C30H44N8O7 628.3333 NA PeJP NA NA +MJ087146 Cephaeline, 2'-N-(1-Deoxy-?-D-fructopyranos-1-yl) C34H48N2O9 628.335981 NA MeJP NA NA +MJ087147 Cephaeline, 6'-Deoxy, 8'-hydroxy, 2'-N-(1-deoxy-?-D-fructopyranos-1-yl) C34H48N2O9 628.335981 NA MeJP NA NA +MJ087148 Lycoctonine; 18-O-(2-Acetamidobenzoyl) C34H48N2O9 628.335981 NA MeJP NA NA +PJ010255 TLKMH C27H48N8O7S 628.3367 NA PeJP NA NA +C11362 BQ 485 C35H44N6O5 628.3373 NA KEGG NA NA +MJ087149 Lycogaride D; O2-Deacyl C39H48O7 628.340003 NA MeJP NA NA +MJ087150 Lycogaride D; O3-Deacyl C39H48O7 628.340003 NA MeJP NA NA +PJ010256 SPNRR C24H44N12O8 628.3405 NA PeJP NA NA +MJ087151 Ervafolene C40H44N4O3 628.341341 NA MeJP NA NA +MJ087152 Pandaca caducifolia Alkaloid D C40H44N4O3 628.341341 NA MeJP NA NA +MJ087153 Tenuicausine; O-De-Me C40H44N4O3 628.341341 NA MeJP NA NA +MJ087154 Macrospegatrine C40H45N4O3(+) 628.341341 NA MeJP NA NA +PJ010257 GPTLLE C28H48N6O10 628.3432 NA PeJP NA NA +PJ010258 GLHFR C29H44N10O6 628.3446 NA PeJP NA NA +MJ087155 3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[(6-Hydroxy-2,6-dimethyl-2,7-octadienoyl)-(1?4)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C32H52O12 628.345877 NA MeJP NA NA +8242 Antioxidative peptide VIPMGL 628.3494 NA ;SYN:(-)-Serine; (S)-2-Amino-3-hydroxypropanoate; (S)-2-Amino-3-hydroxypropanoic acid; (S)-2-amino-3-hydroxy-Propanoate; (S)-2-amino-3-hydroxy-Propanoic acid; (S)-Serine; (S)-a-Amino-b-hydroxypropionate; (S)-a-Amino-b-hydroxypropionic acid; (S)-alpha-Amino-beta-hydroxypropionate; (S)-alpha-Amino-beta-hydroxypropionic acid; (S)-b-Amino-3-hydroxypropionate; (S)-b-Amino-3-hydroxypropionic acid; 2-Amino-3-hydroxypropanoate; 2-Amino-3-hydroxypropanoic acid; 3-hydroxy-L-Alanine; L-(-)-Serine; L-3-Hydroxy-2-aminopropionate; L-3-Hydroxy-2-aminopropionic acid; L-3-Hydroxy-alanine; L-Ser; b-Hydroxy-L-alanine; beta-Hydroxy-L-alanine; beta-Hydroxyalanine; (S)-beta-Amino-3-hydroxypropionate; (S)-beta-Amino-3-hydroxypropionic acid; SerineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ010259 PQKKE C27H48N8O9 628.3544 NA PeJP NA NA +PJ010260 GAPKKE C27H48N8O9 628.3545 NA PeJP NA NA +PJ010261 PTLLW C32H48N6O7 628.3585 NA PeJP NA NA +MJ087156 12,13-Epoxy-2,3,21,22-tetrahydroxy-30-oleananoic acid, 30?22 Lactone,2,3,21-tri-Ac C36H52O9 628.361133 NA MeJP NA NA +MJ087157 3,22,24-Trihydroxy-11-oxo-12-oleanen-30-oic acid, Tri-Ac C36H52O9 628.361133 NA MeJP NA NA +MJ087158 Antibiotic VM 44866; 27?-Methoxy, 5-Me ether C36H52O9 628.361133 NA MeJP NA NA +MJ087159 Milbemycin ?1; 26-O-(3-Methylbutanoyloxy) C36H52O9 628.361133 NA MeJP NA NA +MJ087160 Onchitriol I; 13,15-Di-Ac C36H52O9 628.361133 NA MeJP NA NA +MJ087161 Onchitriol I; 4,13-Diepimer, 3,15-di-Ac C36H52O9 628.361133 NA MeJP NA NA +PJ010262 GPVLLM C29H52N6O7S 628.3619 NA PeJP NA NA +MJ087162 Lopinavir C37H48N4O5 628.36247 NA MeJP NA NA +C12871 Lopinavir C37H48N4O5 628.3625 NA KEGG NA NA +C12872 Transferred to D01426 C37H48N4O5 628.3625 NA KEGG NA NA +C12873 Transferred to D01427 C37H48N4O5 628.3625 NA KEGG NA NA +C12874 Transferred to D01428 C37H48N4O5 628.3625 NA KEGG NA NA +C12875 Transferred to D01429 C37H48N4O5 628.3625 NA KEGG NA NA +C12876 Transferred to D01430 C37H48N4O5 628.3625 NA KEGG NA NA +C12877 Transferred to D01431 C37H48N4O5 628.3625 NA KEGG NA NA +C12878 Transferred to D01432 C37H48N4O5 628.3625 NA KEGG NA NA +C12879 Transferred to D01433 C37H48N4O5 628.3625 NA KEGG NA NA +C12880 Transferred to D01434 C37H48N4O5 628.3625 NA KEGG NA NA +C12881 Transferred to D01435 C37H48N4O5 628.3625 NA KEGG NA NA +C12882 Transferred to D01436 C37H48N4O5 628.3625 NA KEGG NA NA +C12883 Transferred to D01437 C37H48N4O5 628.3625 NA KEGG NA NA +C12884 Transferred to D01438 C37H48N4O5 628.3625 NA KEGG NA NA +C12885 Transferred to D01439 C37H48N4O5 628.3625 NA KEGG NA NA +PJ010263 PTQKR C26H48N10O8 628.3657 NA PeJP NA NA +8317 Anticancer peptide VENLHLPLPLL 628.36745 MH2+ Inhouse_peptide NA peptide +PJ010264 APKKW C31H48N8O6 628.3697 NA PeJP NA NA +MJ087163 Ferromycin C21H54N7O14 628.372874 NA MeJP NA NA +PJ010265 PLLMR C28H52N8O6S 628.3731 NA PeJP NA NA +MJ087164 2,2',3,3'-Tetrahydroxy-?,?-carotene-4,4'-dione C40H52O6 628.376389 NA MeJP NA NA +PJ010266 GLQRR C25H48N12O7 628.3769 NA PeJP NA NA +MJ087165 Pimelautide C29H52N6O9 628.379577 NA MeJP NA NA +PJ010267 AALLLE C29H52N6O9 628.3796 NA PeJP NA NA +PJ010268 AARRR C24H48N14O6 628.3882 NA PeJP NA NA +PJ010269 VLLER C28H52N8O8 628.3908 NA PeJP NA NA +PJ010270 GGAALLK C28H52N8O8 628.3909 NA PeJP NA NA +PJ010271 VVLLW C33H52N6O6 628.3949 NA PeJP NA NA +MJ087166 2,3,23-Trihydroxy-12-oleanen-28-oic acid, Tri-Ac, Me ester C37H56O8 628.397518 NA MeJP NA NA +PJ010272 PTKKR C27H52N10O7 628.4021 NA PeJP NA NA +MJ087167 Plactin; Plactin C C32H52N8O5 628.406066 NA MeJP NA NA +MJ087168 Plactin; Plactin D C32H52N8O5 628.406066 NA MeJP NA NA +MJ087169 6-Chlorostigmastane-3,5-diol, 3-O-?-D-Glucopyranoside C35H61ClO7 628.410582 NA MeJP NA NA +MJ087170 3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-Ac, (3-phenyl-2-propenyl) ester C41H56O5 628.412774 NA MeJP NA NA +MJ087171 Agelaxanthin C C41H56O5 628.412774 NA MeJP NA NA +PJ010273 GLKRR C26H52N12O6 628.4133 NA PeJP NA NA +PJ010274 GTLLLL C30H56N6O8 628.416 NA PeJP NA NA +MJ087172 Cholestane-3,4,6,8,15,24-hexol, 3-O-(2,4-Di-O-methyl-?-D-xylopyranoside) C34H60O10 628.418648 NA MeJP NA NA +MJ087173 Ferensimycin A C34H60O10 628.418648 NA MeJP NA NA +MJ087174 Lysocellin C34H60O10 628.418648 NA MeJP NA NA +MJ087175 Stigmastane-3,6,8,15,16,29-hexol, 29-O-?-L-Arabinofuranoside C34H60O10 628.418648 NA MeJP NA NA +PJ010275 LLQKK C29H56N8O7 628.4272 NA PeJP NA NA +MJ087176 9-Hydroxy-3-methyl-2-decenoic acid, O-(15Z-Docosenoyl), 2-sulfoethyl ester C35H64O7S 628.437275 NA MeJP NA NA +PJ010276 VVKKR C28H56N10O6 628.4385 NA PeJP NA NA +MJ087177 1,1',2,2'-Tetrahydro-1,1'-dihydroxy-?,?-carotene-4,4'-dione; Di-Me ether C42H60O4 628.44916 NA MeJP NA NA +C16278 R.g.-Keto III C42H60O4 628.4492 NA KEGG NA NA +MJ087178 Annohexocin C35H64O9 628.455033 NA MeJP NA NA +MJ087179 Gardnerinin C35H64O9 628.455033 NA MeJP NA NA +MJ087180 Muricoreacin C35H64O9 628.455033 NA MeJP NA NA +MJ087181 Murihexocin A C35H64O9 628.455033 NA MeJP NA NA +PJ010277 LLKKK C30H60N8O6 628.4636 NA PeJP NA NA +HMDB07090 DG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C40H68O5 628.506653 NA HMDB2010 NA NA +HMDB07091 DG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C40H68O5 628.506653 NA HMDB2010 NA NA +HMDB07706 DG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/0:0) C40H68O5 628.506653 NA HMDB2010 NA NA +HMDB07735 DG(22:5(7Z,10Z,13Z,16Z,19Z)/15:0/0:0) C40H68O5 628.506653 NA HMDB2010 NA NA +MJ087182 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Ac, octacosyl ester C40H68O5 628.506675 NA MeJP NA NA +MJ087183 Parvifolinic acid C42H76O3 628.579446 NA MeJP NA NA +3665 drug-binding peptide VCDWWGWGIC 628.72895 MH2+ Inhouse_peptide NA peptide +MJ087184 Anazolene C26H19N3O10S3 629.023255 NA MeJP NA NA +MJ087185 Oganomycin A C24H27N3O13S2 629.098529 NA MeJP NA NA +PJ010278 GCCCNM C20H35N7O8S4 629.143 NA PeJP NA NA +PJ010279 SSCCCQ C20H35N7O10S3 629.1608 NA PeJP NA NA +PJ010280 CDDDY C24H31N5O13S 629.1639 NA PeJP NA NA +PJ010281 CDMMM C22H39N5O8S4 629.1682 NA PeJP NA NA +MJ087186 ?-(2,4-Difluorophenyl)-?-[1-[[2-[4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-butadienyl]-1,3-dioxan-5-yl]thio]ethyl]-1H-1,2,4-triazole-1-ethanol C29H29F6N3O4S 629.178296 NA MeJP NA NA +PJ010282 GSSSSCC C20H35N7O12S2 629.1785 NA PeJP NA NA +PJ010283 ACCCCK C21H39N7O7S4 629.1794 NA PeJP NA NA +PJ010284 CDDMF C25H35N5O10S2 629.1826 NA PeJP NA NA +PJ010285 CCMHH C23H35N9O6S3 629.1873 NA PeJP NA NA +PJ010286 DDDEH C23H31N7O14 629.1929 NA PeJP NA NA +PJ010287 CCNQY C24H35N7O9S2 629.1938 NA PeJP NA NA +PJ010288 SSCCCK C21H39N7O9S3 629.1972 NA PeJP NA NA +PJ010289 SDDMY C25H35N5O12S 629.2003 NA PeJP NA NA +PJ010290 SMMMM C23H43N5O7S4 629.2045 NA PeJP NA NA +PJ010291 GPCCNH C23H35N9O8S2 629.205 NA PeJP NA NA +PJ010292 GSSCNY C24H35N7O11S 629.2115 NA PeJP NA NA +PJ010293 GGGSSCY C24H35N7O11S 629.2116 NA PeJP NA NA +PJ010294 GEMMY C26H39N5O9S2 629.2189 NA PeJP NA NA +PJ010295 NNDMH C23H35N9O10S 629.2228 NA PeJP NA NA +PJ010296 SEEEH C24H35N7O13 629.2293 NA PeJP NA NA +PJ010297 CCNKY C25H39N7O8S2 629.2302 NA PeJP NA NA +PJ010298 GDEFY C29H35N5O11 629.2333 NA PeJP NA NA +PJ010299 MMYW C30H39N5O6S2 629.2342 NA PeJP NA NA +PJ010300 STEMY C26H39N5O11S 629.2367 NA PeJP NA NA +PJ010301 AMMMF C27H43N5O6S3 629.2376 NA PeJP NA NA +PJ010302 GCQHW C27H35N9O7S 629.238 NA PeJP NA NA +PJ010303 GGACHW C27H35N9O7S 629.2381 NA PeJP NA NA +PJ010304 GSSNEH C23H35N9O12 629.2405 NA PeJP NA NA +PJ010305 GGGSSEH C23H35N9O12 629.2406 NA PeJP NA NA +PJ010306 GNNYY C28H35N7O10 629.2446 NA PeJP NA NA +MJ087187 Rubomycin M; 13-Deoxo, O-de-Me C32H39NO12 629.247225 NA MeJP NA NA +PJ010307 VDEMH C25H39N7O10S 629.2479 NA PeJP NA NA +PJ010308 DFYW C33H35N5O8 629.2486 NA PeJP NA NA +PJ010309 PCHHH C26H35N11O6S 629.2493 NA PeJP NA NA +PJ010310 GPMYY C30H39N5O8S 629.252 NA PeJP NA NA +PJ010311 SVMMY C27H43N5O8S2 629.2553 NA PeJP NA NA +PJ010312 SSNHW C27H35N9O9 629.2558 NA PeJP NA NA +2734 regulating the frequency of heart muscles contraction peptide ARRCYNDPKC 629.2589 MH2+ Inhouse_peptide NA peptide +PJ010313 SQQMH C24H39N9O9S 629.2592 NA PeJP NA NA +PJ010314 PPCQW C29H39N7O7S 629.2632 NA PeJP NA NA +PJ010315 PQQEE C25H39N7O12 629.2657 NA PeJP NA NA +PJ010316 AEHHH C26H35N11O8 629.267 NA PeJP NA NA +PJ010317 MFFW C34H39N5O5S 629.2672 NA PeJP NA NA +PJ010318 GVEYY C30H39N5O10 629.2697 NA PeJP NA NA +PJ010319 SCQHR C23H39N11O8S 629.2704 NA PeJP NA NA +7849 NA YPFFG 629.272 ACE inhibitor Inhouse_peptide NA peptide +MJ087188 Spermidine; N'-(3,4-Dihydroxycinnamoyl), N-(4-hydroxycinnamoyl), N''-(4-hydroxy-3-methoxycinnamoyl) C35H39N3O8 629.273715 NA MeJP NA NA +PJ010320 GCKHW C28H39N9O6S 629.2744 NA PeJP NA NA +PJ010321 PNDER C24H39N9O11 629.2769 NA PeJP NA NA +PJ010322 APQEW C29H39N7O9 629.2809 NA PeJP NA NA +PJ010323 GAAPEW C29H39N7O9 629.281 NA PeJP NA NA +MJ087189 4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O1,O6,O16,O18-Tetra-Me, 14-benzoyl, 8-Ac, N-formyl C33H43NO11 629.283611 NA MeJP NA NA +MJ087190 4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O6,O16,O18-Tri-Me, 14-benzoyl, 8,N-di-Ac C33H43NO11 629.283611 NA MeJP NA NA +PJ010324 TLEMH C26H43N7O9S 629.2843 NA PeJP NA NA +PJ010325 VYYW C34H39N5O7 629.285 NA PeJP NA NA +PJ010326 GSSSHR C23H39N11O10 629.2882 NA PeJP NA NA +PJ010327 GLMFY C31H43N5O7S 629.2883 NA PeJP NA NA +PJ010328 GPDRW C28H39N9O8 629.2922 NA PeJP NA NA +PJ010329 SQKMH C25H43N9O8S 629.2955 NA PeJP NA NA +PJ010330 GPPTCR C25H43N9O8S 629.2956 NA PeJP NA NA +PJ010331 AAPWW C33H39N7O6 629.2962 NA PeJP NA NA +MJ087191 Electrin 3 C30H43N7O6S 629.299552 NA MeJP NA NA +PJ010332 PPCKW C30H43N7O6S 629.2996 NA PeJP NA NA +PJ010333 PQKEE C26H43N7O11 629.3021 NA PeJP NA NA +PJ010334 VLMMH C27H47N7O6S2 629.303 NA PeJP NA NA +PJ010335 GNHFR C27H39N11O7 629.3034 NA PeJP NA NA +PJ010336 ATLYY C31H43N5O9 629.3061 NA PeJP NA NA +PJ010337 SCKHR C24H43N11O7S 629.3068 NA PeJP NA NA +MJ087192 Paromomycin; 3-N-Me C24H47N5O14 629.311951 NA MeJP NA NA +PJ010338 PTQER C25H43N9O10 629.3133 NA PeJP NA NA +PJ010339 APKEW C30H43N7O8 629.3173 NA PeJP NA NA +PJ010340 GGGPPVF C30H43N7O8 629.3174 NA PeJP NA NA +MJ087193 Destruxin E; Destruxin E chlorohydrin C29H48ClN5O8 629.319141 NA MeJP NA NA +MJ087194 4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-benzoyl, 8-Ac C34H47NO10 629.319996 NA MeJP NA NA +MJ087195 Duclouxine C34H47NO10 629.319996 NA MeJP NA NA +MJ087196 Falaconitine C34H47NO10 629.319996 NA MeJP NA NA +MJ087197 Ludaconitine; 8-Ac C34H47NO10 629.319996 NA MeJP NA NA +C08683 Falaconitine C34H47NO10 629.32 NA KEGG NA NA +C08691 Indaconitine C34H47NO10 629.32 NA KEGG NA NA +PJ010341 GPPTKM C27H47N7O8S 629.3207 NA PeJP NA NA +PJ010342 GLFFF C35H43N5O6 629.3214 NA PeJP NA NA +PJ010343 SPDRR C24H43N11O9 629.3245 NA PeJP NA NA +PJ010344 GAAQQR C24H43N11O9 629.3246 NA PeJP NA NA +PJ010345 APTRW C29H43N9O7 629.3286 NA PeJP NA NA +PJ010346 PVQMR C26H47N9O7S 629.3319 NA PeJP NA NA +PJ010347 GGPLMR C26H47N9O7S 629.332 NA PeJP NA NA +PJ010348 GNQRR C23H43N13O8 629.3358 NA PeJP NA NA +PJ010349 PKKEE C27H47N7O10 629.3385 NA PeJP NA NA +3596 heparin-binding peptide WQWRSKKLGA 629.3395 MH2+ Inhouse_peptide NA peptide +PJ010350 APMRR C25H47N11O6S 629.3432 NA PeJP NA NA +PJ010351 PTKER C26H47N9O9 629.3497 NA PeJP NA NA +PJ010352 SPLKW C31H47N7O7 629.3537 NA PeJP NA NA +MJ087198 Ganefromycin ?; 21-Epimer, O-de-Me C35H51NO9 629.356382 NA MeJP NA NA +MJ087199 Ganefromycin ?; O-De-Me C35H51NO9 629.356382 NA MeJP NA NA +MJ087200 Pregna-5,20-dien-3-ol, 3-O-(2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-?-D-galactopyranoside) C35H51NO9 629.356382 NA MeJP NA NA +PJ010353 AAPLKM C28H51N7O7S 629.3571 NA PeJP NA NA +PJ010354 GLERR C25H47N11O8 629.3609 NA PeJP NA NA +PJ010355 GGGGVKR C25H47N11O8 629.361 NA PeJP NA NA +PJ010356 GVLRW C30H47N9O6 629.365 NA PeJP NA NA +PJ010357 PVKMR C27H51N9O6S 629.3683 NA PeJP NA NA +EUR793 Lyso PC 22:5 [M-H+acetate]- C30H52NO7P 629.369242 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR793 Lyso PC 22:5 [M-H+acetate]- C30H52NO7P 629.369242 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR793 Lyso PC 22:5 [M-H+acetate]- C30H52NO7P 629.369242 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR793 Lyso PC 22:5 [M-H+acetate]- C30H52NO7P 629.369242 masses lipides attendues Inhousejuil11 NA NA +MJ087201 Janthitrem E; O10-Ac, 22-deoxy C39H51NO6 629.371638 NA MeJP NA NA +PJ010358 GNKRR C24H47N13O7 629.3722 NA PeJP NA NA +PJ010359 LLQKE C28H51N7O9 629.3748 NA PeJP NA NA +PJ010360 GALLKE C28H51N7O9 629.3749 NA PeJP NA NA +PJ010361 LRRW C29H47N11O5 629.3762 NA PeJP NA NA +PJ010362 VVKER C27H51N9O8 629.3861 NA PeJP NA NA +PJ010363 ALLKW C32H51N7O6 629.3901 NA PeJP NA NA +PJ010364 SVLRR C26H51N11O7 629.3973 NA PeJP NA NA +PJ010365 LLKKE C29H55N7O8 629.4112 NA PeJP NA NA +PJ010366 TLLKR C28H55N9O7 629.4225 NA PeJP NA NA +PJ010367 AKKKR C27H55N11O6 629.4337 NA PeJP NA NA +EUR800 Lyso PC 24:0 [M+Na]+ C32H66NO7P 629.439638 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR800 Lyso PC 24:0 [M+Na]+ C32H66NO7P 629.439638 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR800 Lyso PC 24:0 [M+Na]+ C32H66NO7P 629.439638 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR800 Lyso PC 24:0 [M+Na]+ C32H66NO7P 629.439638 masses lipides attendues Inhousejuil11 NA NA +PJ010368 VKKKK C29H59N9O6 629.4589 NA PeJP NA NA +C10154 Juliflorine C40H75N3O2 629.5859 NA KEGG NA NA +MJ087202 Juliflorine C40H75N3O2 629.585928 NA MeJP NA NA +MJ087203 4,11,12,13-Tetrabromo-3,10-dibutyl-1,6,8-trioxadispiro[4.1.4.2]trideca-3,10,12-triene-2,9-dione C18H18Br4O5 629.788774 NA MeJP NA NA +EUR010 phosphatidylinositol (3,4,5)-triphosphate (PIP3) C11H22O22P4 629.9553 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR010 phosphatidylinositol (3,4,5)-triphosphate (PIP3) C11H22O22P4 629.9553 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR010 phosphatidylinositol (3,4,5)-triphosphate (PIP3) C11H22O22P4 629.9553 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR010 phosphatidylinositol (3,4,5)-triphosphate (PIP3) C11H22O22P4 629.9553 Wishlist Inhousejuil11 NA NA +HMDB04249 Phosphatidylinositol-3,4,5-trisphosphate C11H22O22P4 629.95532 http://www.hmdb.ca/metabolites/HMDB04249 HMDB NA NA +HMDB04249 Phosphatidylinositol-3,4,5-trisphosphate C11H22O22P4 629.95532 HMDB04249 PFEM_hmdb_metabocards_official NA NA +EUR010 Phosphatidylinositol (3,4,5)-triphosphate (PIP3) C11H22O22P4 629.955332 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR010 Phosphatidylinositol (3,4,5)-triphosphate (PIP3) C11H22O22P4 629.955332 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR010 Phosphatidylinositol (3,4,5)-triphosphate (PIP3) C11H22O22P4 629.955332 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR010 Phosphatidylinositol (3,4,5)-triphosphate (PIP3) C11H22O22P4 629.955332 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR010 Phosphatidylinositol (3,4,5)-triphosphate (PIP3) C11H22O22P4 629.955332 Wishlist HMDB NA NA +EUR010 Phosphatidylinositol (3,4,5)-triphosphate (PIP3) C11H22O22P4 629.955332 Wishlist Inhouse_PFEM NA NA +EUR010 Phosphatidylinositol (3,4,5)-triphosphate (PIP3) C11H22O22P4 629.955332 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR010 Phosphatidylinositol (3,4,5)-triphosphate (PIP3) C11H22O22P4 629.955332 Wishlist PFEM_hmdb_metabocards_official NA NA +C11521 UDP-6-sulfoquinovose C15H24N2O19P2S 630.0169 NA KEGG NA NA +MetaCyc03998 UDP-sulfoquinovose [UDP-6-sulfoquinovose;] C15H24N2O19P2S1 630.01692 NA metacyc NA NA +C11599 IAARh123 C28H19IN5O5 630.0432 NA KEGG NA NA +MJ087204 Emestrin; Trithio analogue C27H22N2O10S3 630.043657 NA MeJP NA NA +MJ087205 3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 3,4,5-Tris(3,4,5-trihydroxybenzoyl) C28H22O17 630.085699 NA MeJP NA NA +MJ087206 3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 5-O-[3,4,5-Trihydroxybenzoyl-(??)-3,4,5-trihydroxybenzoyl-(??)-3,4,5-trihydroxybenzoyl] C28H22O17 630.085699 NA MeJP NA NA +C08567 Prebetanin C24H26N2O16S 630.1003 NA KEGG NA NA +MJ087207 Betanidin; 5-O-(3-O-Sulfo-?-D-glucopyranoside) C24H26N2O16S 630.100303 NA MeJP NA NA +MJ087208 Betanidin; 5-O-(6-O-Sulfo-?-D-glucopyranoside) C24H26N2O16S 630.100303 NA MeJP NA NA +MJ087209 ?-Actinorhodin C32H22O14 630.100955 NA MeJP NA NA +MJ087210 Strychnobiflavone C32H22O14 630.100955 NA MeJP NA NA +PJ010369 PCCCCC C20H34N6O7S5 630.1093 NA PeJP NA NA +FL5FADGL0037 Isorhamnetin 3-(6''-galloylglucoside) C29H26O16 630.12208 115651-94-0 knapsack NA NA +FL5FAGGM0001 2'-C-Methylmyricetin 3-rhamnoside-5'-gallate;5-[3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2,3-dihydroxy-4-methylphenyl ester 3,4,5-trihydroxy-benzoic acid C29H26O16 630.12208 244137-68-6 knapsack NA NA +FL5FCGGS0003 Myricetin 3-(2''-galloylrhamnoside);3-[[6-Deoxy-2-O-(3,4,5-trihydroxybenzoyl)-alpha-L-mannopyranosyl]oxy]-5-hydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C29H26O16 630.12208 272128-13-9 knapsack NA NA +MJ087211 2-Cinnamoyl-1,6-digalloylglucose; ?-D-Pyranose-form, 4''-Hydroxy C29H26O16 630.122084 NA MeJP NA NA +MJ087212 3,3',4',5,5',7-Hexahydroxyflavone; 7-Me ether, 3-O-[3,4,5-trihydroxybenzoyl-(?2)-?-L-rhamnopyranoside] C29H26O16 630.122084 NA MeJP NA NA +MJ087213 3,3',4',5,5',7-Hexahydroxyflavone; 7-Me ether, 3-O-[3,4,5-trihydroxybenzoyl-(?3)-?-L-rhamnopyranoside] C29H26O16 630.122084 NA MeJP NA NA +MJ087214 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-(3,4,5-Trihydroxybenzoyl) C29H26O16 630.122084 NA MeJP NA NA +MJ087215 6-O-p-Coumaroylglucose; ?-D-Pyranose-form, 1,2-Bis(3,4,5-trihydroxybenzoyl) C29H26O16 630.122084 NA MeJP NA NA +PJ010370 GCCCDM C20H34N6O9S4 630.127 NA PeJP NA NA +C04491 Cyanidin-3-rhamnoglucoside chloride C27H31O15 630.1351 NA KEGG NA NA +MJ087216 CMP-N-glycoloylneuraminate C20H31N4O17P 630.142182 NA MeJP NA NA +MetaCyc03999 CMP-N-glycoloylneuraminate [CMP-N-glycolylneuraminate;] C20H31N4O17P1 630.142182 NA metacyc NA NA +C03691 CMP-N-glycoloylneuraminate C20H31N4O17P 630.1422 NA KEGG NA NA +C03692 1,2-Diacyl-3-beta-D-galactosyl-sn-glycerol C11H16O10R2 630.1422 NA KEGG NA NA +HMDB12206 CMP-N-glycoloylneuraminate C20H31N4O17P 630.142212 NA HMDB2010 NA NA +PJ010371 SSCCCE C20H34N6O11S3 630.1448 NA PeJP NA NA +MJ087217 2',5,5',6,7-Pentahydroxyflavanone, 6-Me ether, 2'-O-(2-O-vanilloyl-?-D-glucopyranoside) C30H30O15 630.15847 NA MeJP NA NA +MJ087218 4-(4-Hydroxyphenyl)-2-butanone; O-[2,6-Bis(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] C30H30O15 630.15847 NA MeJP NA NA +PJ010372 GSCCMM C21H38N6O8S4 630.1634 NA PeJP NA NA +MJ087219 Antibiotic SC 30532 C34H30O12 630.173726 NA MeJP NA NA +MJ087220 Orientoside A C34H30O12 630.173726 NA MeJP NA NA +MJ087221 ?-Naphthocyclinone C34H30O12 630.173726 NA MeJP NA NA +MJ087222 Polyoxin F C23H30N6O15 630.176914 NA MeJP NA NA +PJ010373 CCNEY C24H34N6O10S2 630.1778 NA PeJP NA NA +FL6DAGGS0003 Leucodelphinidin 3-O-(beta-D-glucopyranosyl-(1->4)-alpha-L-rhamnopyranoside) C27H34O17 630.17959 76520-51-9 knapsack NA NA +MJ087223 1,5-Anhydroglucitol, 6-O-(3,4,5-Trihydroxybenzoyl), 2-O-(dihydroxy-3,4,5-trihydroxybenzoyloxybenzoyl) C27H34O17 630.179599 NA MeJP NA NA +MJ087224 3,3',4,4',5,5',7-Heptahydroxyflavan; 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C27H34O17 630.179599 NA MeJP NA NA +PJ010374 SSTCCM C21H38N6O10S3 630.1812 NA PeJP NA NA +PJ010375 GPCCDH C23H34N8O9S2 630.1891 NA PeJP NA NA +PJ010376 GCCYW C28H34N6O7S2 630.1931 NA PeJP NA NA +MJ087225 Nyctanthoside; 6,7-Dibenzoyl C31H34O14 630.194855 NA MeJP NA NA +MJ087226 Paeoniflorin; 4''-Hydroxy, 6'-(4-methoxybenzoyl) C31H34O14 630.194855 NA MeJP NA NA +MJ087227 Rutaretin, 1'-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(?6)-?-D-glucopyranoside] C31H34O14 630.194855 NA MeJP NA NA +PJ010377 GSSCDY C24H34N6O12S 630.1956 NA PeJP NA NA +PJ010378 CCQMF C25H38N6O7S3 630.1964 NA PeJP NA NA +PJ010379 NDDMH C23H34N8O11S 630.2068 NA PeJP NA NA +PJ010380 CCCFR C24H38N8O6S3 630.2077 NA PeJP NA NA +MJ087228 Kodaistatin A C35H34O11 630.210111 NA MeJP NA NA +MJ087229 [[4'-[[3-Butyl-1,5-dihydro-5-oxo-1-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-4-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]carbamic acid; tert-Butyl ester C31H33F3N4O5S 630.212375 NA MeJP NA NA +PJ010381 SCQMY C25H38N6O9S2 630.2142 NA PeJP NA NA +PJ010382 GSCNNH C22H34N10O10S 630.218 NA PeJP NA NA +PJ010383 GGGGGSCH C22H34N10O10S 630.2181 NA PeJP NA NA +PJ010384 GCEHW C27H34N8O8S 630.2221 NA PeJP NA NA +PJ010385 GSSDEH C23H34N8O13 630.2246 NA PeJP NA NA +MJ087230 Albanol A; 3''-(3-Methyl-2-butenyl) C39H34O8 630.225368 NA MeJP NA NA +PJ010386 SCCRY C24H38N8O8S2 630.2254 NA PeJP NA NA +PJ010387 GNDYY C28H34N6O11 630.2286 NA PeJP NA NA +MJ087231 Fraxiformoside C32H38O13 630.231241 NA MeJP NA NA +MJ087232 Isoligustrosidic acid; (4-Hydroxyphenyl)ethyl ester C32H38O13 630.231241 NA MeJP NA NA +MJ087233 Lustromycin C32H38O13 630.231241 NA MeJP NA NA +PJ010388 GSSSMY C25H38N6O11S 630.2319 NA PeJP NA NA +PJ010389 GPPDDM C25H38N6O11S 630.232 NA PeJP NA NA +MJ087234 Antibiotic AT 2433; Antibiotic AT 2433B2 C33H34N4O9 630.232578 NA MeJP NA NA +PJ010390 CCKMF C26H42N6O6S3 630.2328 NA PeJP NA NA +MetaCyc04000 7-hydroxy-chlorophyllide a [7-OH-chlorophyllide a;] C35H34N4O6MG1 630.232877 NA metacyc NA NA +C16540 7-Hydroxychlorophyllide a C35H34MgN4O6 630.2329 NA KEGG NA NA +C18156 Bacteriochlorophyllide b C35H34MgN4O6 630.2329 NA KEGG NA NA +PJ010391 CHWW C31H34N8O5S 630.2373 NA PeJP NA NA +PJ010392 SSDHW C27H34N8O10 630.2398 NA PeJP NA NA +MJ087235 Mappicine, O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C31H38N2O12 630.242474 NA MeJP NA NA +PJ010393 SQEMH C24H38N8O10S 630.2432 NA PeJP NA NA +MJ087236 3,5,6,7-Tetrahydroxy-19-vouacapanoic acid, 6,7-Dibenzoyl, 3-Ac C36H38O10 630.246497 NA MeJP NA NA +MJ087237 4,18-Epoxy-6,7,8,19-tetrahydroxy-11,13-clerodadien-15,16-olide, 6,7-Dibenzoyl, 19-Ac C36H38O10 630.246497 NA MeJP NA NA +PJ010394 PPCEW C29H38N6O8S 630.2472 NA PeJP NA NA +PJ010395 SSSSTY C25H38N6O13 630.2497 NA PeJP NA NA +PJ010396 SCKMY C26H42N6O8S2 630.2506 NA PeJP NA NA +8281 Antioxidative peptide YGYTGA 630.252 NA ;SYN:3-methyl-L-histidine; 3-methylhistidine; N(pi)-methyl-l-histidine; Tau-methylhistidine; l-3-methylhistidine; 3-N-Methyl-L-histidine; N3-Methyl-L-histidine; Tau-Methyl-L-histidine; pi-Methyl-L-histidine; N(pai)-Methyl-L-histidine; N(pros)-methyl-L-histidine; (2S)-2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid; (2S)-2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +MJ087238 Apicycline C30H38N4O11 630.253708 NA MeJP NA NA +PJ010397 SCEHR C23H38N10O9S 630.2544 NA PeJP NA NA +MJ087239 Aglaforbesine-type C35H38N2O9 flavagline C35H38N2O9 630.25773 NA MeJP NA NA +MJ087240 Thapsakin B C35H38N2O9 630.25773 NA MeJP NA NA +PJ010398 GTMHW C28H38N8O7S 630.2584 NA PeJP NA NA +PJ010399 GAPCHF C28H38N8O7S 630.2585 NA PeJP NA NA +PJ010400 GSTTEH C24H38N8O12 630.2609 NA PeJP NA NA +PJ010401 PDDER C24H38N8O12 630.261 NA PeJP NA NA +PJ010402 VNMMH C25H42N8O7S2 630.2618 NA PeJP NA NA +PJ010403 SNHHH C25H34N12O8 630.2623 NA PeJP NA NA +PJ010404 SSQFY C29H38N6O10 630.2649 NA PeJP NA NA +PJ010405 APEEW C29H38N6O10 630.265 NA PeJP NA NA +MJ087241 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 8-tigloyl, 1,6,14-tri-Ac C33H42O12 630.267626 NA MeJP NA NA +MJ087242 11(15?1)-Abeo-2,20-epoxy-11-taxene-4,5,7,9,10,13,15-heptol, 9-Benzoyl, 4,7,13-tri-Ac C33H42O12 630.267626 NA MeJP NA NA +MJ087243 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 10-Benzoyl, 2,4,7-tri-Ac C33H42O12 630.267626 NA MeJP NA NA +MJ087244 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2-Benzoyl, 4,7,9-tri-Ac C33H42O12 630.267626 NA MeJP NA NA +MJ087245 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 9-Benzoyl, 2,4,7-tri-Ac C33H42O12 630.267626 NA MeJP NA NA +MJ087246 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 10-(3-hydroxybutanoyl), 4-Ac C33H42O12 630.267626 NA MeJP NA NA +MJ087247 Humilinolide A; 6-Ac C33H42O12 630.267626 NA MeJP NA NA +MJ087248 Nymania 3; 1,2-Dihydro, 1?-acetoxy C33H42O12 630.267626 NA MeJP NA NA +MJ087249 Utilin C C33H42O12 630.267626 NA MeJP NA NA +PJ010406 GPPTEM C26H42N6O10S 630.2683 NA PeJP NA NA +PJ010407 NNQQQ C23H38N10O11 630.2722 NA PeJP NA NA +PJ010408 CCLHR C24H42N10O6S2 630.273 NA PeJP NA NA +PJ010409 GMMHR C24H42N10O6S2 630.2731 NA PeJP NA NA +MJ087250 Neapolitanose; 1-O-Octanoyl C26H46O17 630.2735 NA MeJP NA NA +PJ010410 STTHW C28H38N8O9 630.2762 NA PeJP NA NA +PJ010411 SKEMH C25H42N8O9S 630.2796 NA PeJP NA NA +PJ010412 GNFFF C33H38N6O7 630.2802 NA PeJP NA NA +PJ010413 NNNNR C22H38N12O10 630.2834 NA PeJP NA NA +PJ010414 PPTMW C30H42N6O7S 630.2836 NA PeJP NA NA +PJ010415 PKEEE C26H42N6O12 630.2861 NA PeJP NA NA +PJ010416 GPPVMM C27H46N6O7S2 630.287 NA PeJP NA NA +PJ010417 GDHFR C27H38N10O8 630.2874 NA PeJP NA NA +7690 ACE inhibitor from red algae AKYSY 630.289 antioxidative Inhouse_peptide NA peptide +PJ010418 STMHR C24H42N10O8S 630.2908 NA PeJP NA NA +PJ010419 AAHFW C32H38N8O6 630.2915 NA PeJP NA NA +MJ087251 Aglaforbesine A C36H42N2O8 630.294116 NA MeJP NA NA +MJ087252 Aglaine B C36H42N2O8 630.294116 NA MeJP NA NA +PJ010420 PCKHF C29H42N8O6S 630.2948 NA PeJP NA NA +MJ087253 Antibiotic WIN 64745 C37H38N6O4 630.295453 NA MeJP NA NA +MJ087254 Antibiotic 477-2h C24H46N4O15 630.295966 NA MeJP NA NA +PJ010421 PTEER C25H42N8O11 630.2973 NA PeJP NA NA +PJ010422 GGGGAALE C25H42N8O11 630.2974 NA PeJP NA NA +PJ010423 PPMMR C26H46N8O6S2 630.2982 NA PeJP NA NA +PJ010424 SPLEW C30H42N6O9 630.3013 NA PeJP NA NA +PJ010425 PVTEW C30H42N6O9 630.3014 NA PeJP NA NA +MJ087255 3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-6-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-2(3H)-benzothiazolone C36H43FN4O3S 630.30399 NA MeJP NA NA +MJ087256 19-Hydroxyingol; 7,8-Ditigloyl, 3,12-di-Ac C34H46O11 630.304012 NA MeJP NA NA +MJ087257 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1,12-Ditigloyl, di-Ac C34H46O11 630.304012 NA MeJP NA NA +MJ087258 Ekebergin C34H46O11 630.304012 NA MeJP NA NA +PJ010426 AAPLEM C27H46N6O9S 630.3047 NA PeJP NA NA +MJ087259 Hybrimycin A1 C23H46N6O14 630.3072 NA MeJP NA NA +PJ010427 AQQER C24H42N10O10 630.3086 NA PeJP NA NA +PJ010428 SPNKW C29H42N8O8 630.3126 NA PeJP NA NA +C08684 Finaconitine C33H46N2O10 630.3152 NA KEGG NA NA +PJ010429 PQQKM C26H46N8O8S 630.3159 NA PeJP NA NA +PJ010430 PVEMR C26H46N8O8S 630.316 NA PeJP NA NA +MJ087260 Gambogenin; 29-Carboxylic acid C38H46O8 630.319268 NA MeJP NA NA +MJ087261 Marmin, 6'-O-(4-Geranyloxy-2-hydroxycinnamoyl) C38H46O8 630.319268 NA MeJP NA NA +PJ010431 GNERR C23H42N12O9 630.3198 NA PeJP NA NA +PJ010432 PVVMW C31H46N6O6S 630.32 NA PeJP NA NA +PJ010433 LLQEE C27H46N6O11 630.3225 NA PeJP NA NA +PJ010434 AAQRW C28H42N10O7 630.3238 NA PeJP NA NA +MJ087262 Colominic acid(non-reducing N- or O-acylneuraminyl residue) C31H50O13 630.325141 NA MeJP NA NA +PJ010435 PCQKR C25H46N10O7S 630.3272 NA PeJP NA NA +PJ010436 VVEER C26H46N8O10 630.3337 NA PeJP NA NA +MJ087263 Longithorone A C42H46O5 630.334524 NA MeJP NA NA +MJ087264 Longithorone H C42H46O5 630.334524 NA MeJP NA NA +PJ010437 NRRW C27H42N12O6 630.335 NA PeJP NA NA +PJ010438 GGRRW C27H42N12O6 630.3351 NA PeJP NA NA +PJ010439 ALLEW C31H46N6O8 630.3377 NA PeJP NA NA +MJ087265 Cimigenol; 1?-Hydroxy, 3-O-?-L-arabinopyranoside C35H50O10 630.340397 NA MeJP NA NA +PJ010440 GPTLLM C28H50N6O8S 630.3411 NA PeJP NA NA +PJ010441 AQKER C25H46N10O9 630.3449 NA PeJP NA NA +MJ087266 Lavendothricin; Lavendothricin E C25H46N10O9 630.344923 NA MeJP NA NA +MJ087267 Streptothricin; Streptothricin E C25H46N10O9 630.344923 NA MeJP NA NA +PJ010442 GAAKER C25H46N10O9 630.345 NA PeJP NA NA +C07465 Remikiren C33H50N4O6S 630.3451 NA KEGG NA NA +MJ087268 Remikiren C33H50N4O6S 630.345106 NA MeJP NA NA +PJ010443 GLQKW C30H46N8O7 630.349 NA PeJP NA NA +PJ010444 PQKKM C27H50N8O7S 630.3523 NA PeJP NA NA +PJ010445 GAPKKM C27H50N8O7S 630.3524 NA PeJP NA NA +MJ087269 Peridininol; 3-Ac C39H50O7 630.355653 NA MeJP NA NA +PJ010446 GDKRR C24H46N12O8 630.3562 NA PeJP NA NA +MJ087270 Accedinisine; N4-De-Me C40H46N4O3 630.356991 NA MeJP NA NA +MJ087271 Hazuntiphyllidine C40H46N4O3 630.356991 NA MeJP NA NA +MJ087272 Hazuntiphylline C40H46N4O3 630.356991 NA MeJP NA NA +MJ087273 Strychnobiline; 12'-Hydroxy C40H46N4O3 630.356991 NA MeJP NA NA +MJ087274 Strychnobiline; 16',17'-Diepimer, 12'-Hydroxy C40H46N4O3 630.356991 NA MeJP NA NA +PJ010447 LLKEE C28H50N6O10 630.3589 NA PeJP NA NA +PJ010448 AAKRW C29H46N10O6 630.3602 NA PeJP NA NA +MJ087275 1,6,10,14-Phytatetraene-3,13-diol, 3,13-Di-O-?-D-glucopyranoside C32H54O12 630.361527 NA MeJP NA NA +MJ087276 1,6,10,14-Phytatetraene-3,17-diol, 3,17-Di-O-?-D-glucopyranoside C32H54O12 630.361527 NA MeJP NA NA +MJ087277 8(17),13-Labdadiene-15,18-diol, 15,18-Di-O-?-D-glucopyranoside C32H54O12 630.361527 NA MeJP NA NA +MJ087278 8(17),13-Labdadiene-15,19-diol, 15,19-Di-O-?-D-glucopyranoside C32H54O12 630.361527 NA MeJP NA NA +MJ087279 8(17),13-Labdadiene-3,15-diol, Di-O-?-D-glucopyranoside C32H54O12 630.361527 NA MeJP NA NA +MJ087280 8(17),13-Labdadiene-3,15-diol, 3,15-Di-O-?-D-glucopyranoside C32H54O12 630.361527 NA MeJP NA NA +MJ087281 8(17),13-Labdadiene-6,15,18-triol, 15-O-?-L-Rhamnopyranoside, 18-O-?-D-galactopyranoside C32H54O12 630.361527 NA MeJP NA NA +MJ087282 8(17),13-Labdadiene-6,15,18-triol, 15-O-?-L-Rhamnopyranoside, 18-O-?-D-glucopyranoside C32H54O12 630.361527 NA MeJP NA NA +MJ087283 8(17),13-Labdadiene-6,15-diol, Di-O-?-D-glucopyranoside C32H54O12 630.361527 NA MeJP NA NA +PJ010449 PCKKR C26H50N10O6S 630.3636 NA PeJP NA NA +PJ010450 GSRRR C23H46N14O7 630.3674 NA PeJP NA NA +PJ010451 TLLER C27H50N8O9 630.3701 NA PeJP NA NA +PJ010452 SLLLW C32H50N6O7 630.3741 NA PeJP NA NA +MJ087284 2,3,19,24-Tetrahydroxy-12-oleanen-28-oic acid, 2,3,23-Tri-Ac C36H54O9 630.376783 NA MeJP NA NA +MJ087285 3,7,15,22-Tetrahydroxylanosta-8,24-dien-26-oic acid, 3,15,22-Tri-Ac C36H54O9 630.376783 NA MeJP NA NA +MJ087286 3,7,15,22-Tetrahydroxylanosta-8,24-dien-26-oic acid, 3,7,22-Tri-Ac C36H54O9 630.376783 NA MeJP NA NA +MJ087287 3,7,15,22-Tetrahydroxylanosta-8,24-dien-26-oic acid, 3,15,22-Tri-Ac C36H54O9 630.376783 NA MeJP NA NA +2729 erythromycin inhibitor MLIRV 630.3774 NA Inhouse_peptide NA peptide +PJ010453 AALLLM C29H54N6O7S 630.3775 NA PeJP NA NA +MJ087288 Beauverolide Ka C37H50N4O5 630.37812 NA MeJP NA NA +PJ010454 AKKER C26H50N10O8 630.3813 NA PeJP NA NA +PJ010455 GLKKW C31H50N8O6 630.3854 NA PeJP NA NA +PJ010456 VLLMR C28H54N8O6S 630.3887 NA PeJP NA NA +MJ087289 12,12'-Bifuranoeremophila-7,11-dien-3-ol, Di-O-angeloyl C40H54O6 630.392039 NA MeJP NA NA +MJ087290 3,13-Dihydroxy-11-ursen-28-oic acid, 28?13 Lactone, 3-O-(4-hydroxy-3-methoxycinnamoyl) C40H54O6 630.392039 NA MeJP NA NA +MJ087291 Macrophyllic acid C40H54O6 630.392039 NA MeJP NA NA +PJ010457 ATKRR C25H50N12O7 630.3926 NA PeJP NA NA +MJ087292 Pleiomutine C41H50N4O2 630.393376 NA MeJP NA NA +PJ010458 ATTLLL C29H54N6O9 630.3952 NA PeJP NA NA +PJ010459 ATTIIL C29H54N6O9 630.3953 NA PeJP NA NA +MJ087293 Cholestane-3,6,7,8,15,16,26-heptol, 3-O-(2-O-Methyl-?-D-xylopyranoside) C33H58O11 630.397912 NA MeJP NA NA +PJ010460 VKKKE C28H54N8O8 630.4065 NA PeJP NA NA +MJ087294 12-Oleanene-3,15,16,21,22,28-hexol, 21-Angeloyl, 22-Ac C37H58O8 630.413168 NA MeJP NA NA +MJ087295 12-Oleanene-3,15,16,21,22,28-hexol, Mono-Ac, mono(3-methyl-2-butenyl) C37H58O8 630.413168 NA MeJP NA NA +MJ087296 12-Oleanene-3,16,21,22,24,28-hexol, 21-Tigloyl, 16-Ac C37H58O8 630.413168 NA MeJP NA NA +MJ087297 12-Oleanene-3,16,21,22,24,28-hexol, 21-Tigloyl, 22-Ac C37H58O8 630.413168 NA MeJP NA NA +MJ087298 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Dodecanoyl, 12-(2S-methylbutanoyl) C37H58O8 630.413168 NA MeJP NA NA +PJ010461 SLKKR C27H54N10O7 630.4177 NA PeJP NA NA +MJ087299 20(29)-Lupene-3,28-diol, 3-O-(4-Hydroxy-E-cinnamoyl), 28-O-Ac C41H58O5 630.428424 NA MeJP NA NA +MJ087300 3-Hydroxy-12-oleanen-28-oic acid, 3-(4-Methoxycinnamoyl)(Z-), Me ester C41H58O5 630.428424 NA MeJP NA NA +MJ087301 3-Hydroxy-12-ursen-28-oic acid, 3-O-(4-Methoxycinnamoyl)(Z)-, Me ester C41H58O5 630.428424 NA MeJP NA NA +MJ087302 Dexamethasone; 21-Hexadecanoyl C38H59FO6 630.429567 NA MeJP NA NA +MJ087303 Argiopinin IV C31H54N10O4 630.43295 NA MeJP NA NA +MJ087304 Caldariellaquinone C39H66O2S2 630.450422 NA MeJP NA NA +MJ087305 Octadecanoic acid salts; Zn salt C36H70O4Zn 630.456557 NA MeJP NA NA +MJ087306 6,14,22,30,32,34-Hexahydroxy-8,16,24-pentatriacontanetrione C35H66O9 630.470683 NA MeJP NA NA +MJ087307 Donhepocin C35H66O9 630.470683 NA MeJP NA NA +MJ087308 3,22,23-Trihydroxyergostan-6-one, 3-O-Dodecanoyl C40H70O5 630.522325 NA MeJP NA NA +HMDB07089 DG(15:0/22:4(7Z,10Z,13Z,16Z)/0:0) C40H70O5 630.522339 NA HMDB2010 NA NA +HMDB07677 DG(22:4(7Z,10Z,13Z,16Z)/15:0/0:0) C40H70O5 630.522339 NA HMDB2010 NA NA +MJ087309 Ormosinine C40H66N6 630.534896 NA MeJP NA NA +MJ087310 Polyprenol; Betulaprenol 9 C45H74O 630.573966 NA MeJP NA NA +MJ087311 Guanosine; 3'-O-(4-Acetyl-?-L-fucopyranoside), 2',5'-di-O-sulfate C18H25N5O16S2 631.073771 NA MeJP NA NA +PJ010462 SCCCCN C19H33N7O9S4 631.1223 NA PeJP NA NA +PJ010463 CCDEY C24H33N5O11S2 631.1618 NA PeJP NA NA +PJ010464 CCEMF C25H37N5O8S3 631.1804 NA PeJP NA NA +PJ010465 DDDMH C23H33N7O12S 631.1908 NA PeJP NA NA +PJ010466 SCEMY C25H37N5O10S2 631.1982 NA PeJP NA NA +PJ010467 GSCNDH C22H33N9O11S 631.2021 NA PeJP NA NA +PJ010468 GPNDDD C23H33N7O14 631.2086 NA PeJP NA NA +PJ010469 GDDYY C28H33N5O12 631.2126 NA PeJP NA NA +PJ010470 PCCFY C29H37N5O7S2 631.2135 NA PeJP NA NA +MJ087312 Carminomycin I; Benzoylhydrazone C33H33N3O10 631.216594 NA MeJP NA NA +PJ010471 GMMMY C26H41N5O7S3 631.2168 NA PeJP NA NA +PJ010472 CNQMH C23H37N9O8S2 631.2207 NA PeJP NA NA +PJ010473 SEEMH C24H37N7O11S 631.2272 NA PeJP NA NA +PJ010474 SPCYY C29H37N5O9S 631.2312 NA PeJP NA NA +PJ010475 CCNHR C22H37N11O7S2 631.2319 NA PeJP NA NA +PJ010476 PEEEE C25H37N5O14 631.2337 NA PeJP NA NA +PJ010477 STMMY C26H41N5O9S2 631.2346 NA PeJP NA NA +PJ010478 GSSNMH C23H37N9O10S 631.2384 NA PeJP NA NA +PJ010479 GGGGGPCQ C23H37N9O10S 631.2385 NA PeJP NA NA +PJ010480 PCEHF C28H37N7O8S 631.2425 NA PeJP NA NA +MJ087313 Efonidipine C34H38N3O7P 631.244737 NA MeJP NA NA +PJ010481 GSPNEE C24H37N7O13 631.245 NA PeJP NA NA +PJ010482 VDMMH C25H41N7O8S2 631.2458 NA PeJP NA NA +PJ010483 SDHHH C25H33N11O9 631.2463 NA PeJP NA NA +PJ010484 GTEYY C29H37N5O11 631.249 NA PeJP NA NA +PJ010485 CCLFF C30H41N5O6S2 631.2498 NA PeJP NA NA +PJ010486 GMMFF C30H41N5O6S2 631.2499 NA PeJP NA NA +MJ087314 Spermidine; N,N',N''-Tris(3,4-dihydroxycinnamoyl) C34H37N3O9 631.252979 NA MeJP NA NA +C18070 N1,N5,N10-Tricaffeoyl spermidine C34H37N3O9 631.253 NA KEGG NA NA +PJ010487 SSSSQH C23H37N9O12 631.2562 NA PeJP NA NA +PJ010488 GPPCCR C24H41N9O7S2 631.2571 NA PeJP NA NA +PJ010489 SPNEW C28H37N7O10 631.2602 NA PeJP NA NA +MJ087315 4-Methylaconitane-1,6,8,10,13,14,15,16,18-nonol, O6,O16,O18-Tri-Me, 14-benzoyl, 8-Ac, N-formyl C32H41NO12 631.262875 NA MeJP NA NA +PJ010490 PQQEM C25H41N7O10S 631.2636 NA PeJP NA NA +PJ010491 TYYW C33H37N5O8 631.2642 NA PeJP NA NA +PJ010492 AMHHH C26H37N11O6S 631.2649 NA PeJP NA NA +PJ010493 NNNDR C22H37N11O11 631.2674 NA PeJP NA NA +PJ010494 GGGGGGDR C22H37N11O11 631.2675 NA PeJP NA NA +PJ010495 GVMYY C30H41N5O8S 631.2676 NA PeJP NA NA +PJ010496 GNQQW C27H37N9O9 631.2714 NA PeJP NA NA +PJ010497 GGGQQW C27H37N9O9 631.2715 NA PeJP NA NA +PJ010498 PNDMR C24H41N9O9S 631.2748 NA PeJP NA NA +PJ010499 GSPWW C32H37N7O7 631.2755 NA PeJP NA NA +PJ010500 APQMW C29H41N7O7S 631.2788 NA PeJP NA NA +PJ010501 GAAPMW C29H41N7O7S 631.2789 NA PeJP NA NA +PJ010502 VQQEE C25H41N7O12 631.2813 NA PeJP NA NA +PJ010503 GGLQEE C25H41N7O12 631.2814 NA PeJP NA NA +PJ010504 TLMMH C26H45N7O7S2 631.2822 NA PeJP NA NA +PJ010505 TTHHH C26H37N11O8 631.2827 NA PeJP NA NA +2797 peptide toxic from alpha-gliadin YPQPQ 631.283 NA Inhouse_peptide NA peptide +PJ010506 SSLYY C30H41N5O10 631.2854 NA PeJP NA NA +PJ010507 APCRW C28H41N9O6S 631.2901 NA PeJP NA NA +MJ087316 Hybrimycin A1; 1-Deamino, 1-hydroxy C23H45N5O15 631.291215 NA MeJP NA NA +MJ087317 Hybrimycin A1; 5''-Epimer, 6'''-deamino, 6'''-hydroxy C23H45N5O15 631.291215 NA MeJP NA NA +MJ087318 Hybrimycin A1; 6'''-Deamino, 6'''-hydroxy C23H45N5O15 631.291215 NA MeJP NA NA +PJ010508 AQEER C24H41N9O11 631.2926 NA PeJP NA NA +PJ010509 GLQEW C29H41N7O9 631.2966 NA PeJP NA NA +MJ087319 4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18,N-Penta-Me, 14-benzoyl, 8-Ac C33H45NO11 631.299261 NA MeJP NA NA +C08698 Mesaconitine C33H45NO11 631.2993 NA KEGG NA NA +PJ010510 PQKEM C26H45N7O9S 631.3 NA PeJP NA NA +PJ010511 GVFFY C34H41N5O7 631.3006 NA PeJP NA NA +3399 NA AMKPW 631.3024 ACE inhibitor Inhouse_peptide NA peptide +7660 ACE inhibitor from as2-CN (189-192) AMKPW 631.3024 antioxidative Inhouse_peptide NA peptide +PJ010512 GDERR C23H41N11O10 631.3038 NA PeJP NA NA +PJ010513 LLEEE C27H45N5O12 631.3065 NA PeJP NA NA +PJ010514 AAERW C28H41N9O8 631.3078 NA PeJP NA NA +PJ010515 PTQMR C25H45N9O8S 631.3112 NA PeJP NA NA +PJ010516 LQWW C33H41N7O6 631.3119 NA PeJP NA NA +PJ010517 APKMW C30H45N7O6S 631.3152 NA PeJP NA NA +8165 peptide derived from bovine k-casein (112-116) KNQDK 631.3158 antibacterial Inhouse_peptide NA peptide +PJ010518 VQKEE C26H45N7O11 631.3177 NA PeJP NA NA +PJ010519 DRRW C27H41N11O7 631.3191 NA PeJP NA NA +PJ010520 PTCRR C24H45N11O7S 631.3224 NA PeJP NA NA +7676 ACE inhibitor from b-CN (48-59), rat HSGIQSEPKAIP 631.323 MH2+ Inhouse_peptide NA peptide +PJ010521 AKEER C25H45N9O10 631.329 NA PeJP NA NA +PJ010522 GLKEW C30H45N7O8 631.333 NA PeJP NA NA +MJ087320 4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O8,N-Di-Et, O1,O6,O16,O18-tetra-Me, 14-benzoyl C34H49NO10 631.335646 NA MeJP NA NA +MJ087321 4-Methylaconitane-1,3,6,8,14,16,18-heptol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-(3,4-dimethoxybenzoyl) C34H49NO10 631.335646 NA MeJP NA NA +MJ087322 Yunaconitine; O-De-Ac, O8-Me C34H49NO10 631.335646 NA MeJP NA NA +PJ010523 LLQQM C27H49N7O8S 631.3363 NA PeJP NA NA +PJ010524 PKKEM C27H49N7O8S 631.3364 NA PeJP NA NA +PJ010525 ATERR C24H45N11O9 631.3402 NA PeJP NA NA +PJ010526 GTLRW C29H45N9O7 631.3442 NA PeJP NA NA +PJ010527 PTKMR C26H49N9O7S 631.3476 NA PeJP NA NA +PJ010528 LKWW C34H45N7O5 631.3482 NA PeJP NA NA +PJ010529 VKKEE C27H49N7O10 631.3541 NA PeJP NA NA +PJ010530 GPFRR C28H45N11O6 631.3555 NA PeJP NA NA +PJ010531 GLMRR C25H49N11O6S 631.3588 NA PeJP NA NA +PJ010532 SLKER C26H49N9O9 631.3653 NA PeJP NA NA +PJ010533 VTKER C26H49N9O9 631.3654 NA PeJP NA NA +PJ010534 SVLKW C31H49N7O7 631.3694 NA PeJP NA NA +MJ087323 Cremimycin C35H53NO9 631.372032 NA MeJP NA NA +MJ087324 Veralodisine; 3-O-?-D-Glucopyranoside C35H53NO9 631.372032 NA MeJP NA NA +PJ010535 LLQKM C28H53N7O7S 631.3727 NA PeJP NA NA +PJ010536 GALLKM C28H53N7O7S 631.3728 NA PeJP NA NA +MJ087325 Amphibine C C36H49N5O5 631.373369 NA MeJP NA NA +MJ087326 Amphibine D C36H49N5O5 631.373369 NA MeJP NA NA +MJ087327 Lotusine B C36H49N5O5 631.373369 NA MeJP NA NA +PJ010537 STLRR C25H49N11O8 631.3766 NA PeJP NA NA +PJ010538 LLLHH C30H49N9O6 631.3806 NA PeJP NA NA +PJ010539 VVKMR C27H53N9O6S 631.384 NA PeJP NA NA +EUR788 Lyso PC 22:4 [M-H+acetate]- C30H54NO7P 631.384892 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR788 Lyso PC 22:4 [M-H+acetate]- C30H54NO7P 631.384892 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR788 Lyso PC 22:4 [M-H+acetate]- C30H54NO7P 631.384892 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR788 Lyso PC 22:4 [M-H+acetate]- C30H54NO7P 631.384892 masses lipides attendues Inhousejuil11 NA NA +PJ010540 GTTLLK C28H53N7O9 631.3905 NA PeJP NA NA +PJ010541 TQKKK C27H53N9O8 631.4017 NA PeJP NA NA +PJ010542 PLKKF C32H53N7O6 631.4058 NA PeJP NA NA +PJ010543 LLKKM C29H57N7O6S 631.4091 NA PeJP NA NA +HMDB08855 PE(14:1(9Z)/14:1(9Z)) C33H62NO8P 631.421326 NA HMDB2010 NA NA +PJ010544 TKKKK C28H57N9O7 631.4381 NA PeJP NA NA +MJ087328 2-Amino-4,8-octadecadiene-1,3-diol, N-(2R-Hydroxyhexadecanoyl), 1-O-sulfate C34H65NO7S 631.448174 NA MeJP NA NA +MJ087329 Acarogobien B C29H30Br2O6 632.040913 NA MeJP NA NA +MJ087330 Ageliferin; 1'-N-Me C23H26Br2N10O2 632.060695 NA MeJP NA NA +MJ087331 Ageliferin; 2'-Bromo, 3'-debromo, 1'-N-Me C23H26Br2N10O2 632.060695 NA MeJP NA NA +MJ087332 Castalin C27H20O18 632.064963 NA MeJP NA NA +MJ087333 Terflavin D C27H20O18 632.064963 NA MeJP NA NA +FL5FAGGA0006 Myricetin 3-(2''-galloylgalactoside) C28H24O17 632.10134 143222-13-3 knapsack NA NA +FL5FAGGA0007 Myricetin 3-(6''-galloylgalactoside) C28H24O17 632.10134 56317-08-9 knapsack NA NA +FL5FAGGL0010 Myricetin 3-(6''-galloylglucoside) C28H24O17 632.10134 56317-07-8 knapsack NA NA +FL5FAGGS0029 Myricetin 3-(2''-galloylglucoside);5,7-Dihydroxy-3-[[2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C28H24O17 632.10134 334475-75-1 knapsack NA NA +FL5FAGGS0032 Myricetin 7-(6''-galloylglucoside);3,5-Dihydroxy-7-[[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C28H24O17 632.10134 231289-26-2 knapsack NA NA +MJ087334 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?2)-?-D-galactopyranoside] C28H24O17 632.101349 NA MeJP NA NA +MJ087335 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?2)-?-D-glucopyranoside] C28H24O17 632.101349 NA MeJP NA NA +MJ087336 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-galactopyranoside] C28H24O17 632.101349 NA MeJP NA NA +MJ087337 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C28H24O17 632.101349 NA MeJP NA NA +MJ087338 3,3',4',5,5',7-Hexahydroxyflavone; 7-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] C28H24O17 632.101349 NA MeJP NA NA +MJ087339 8-C-Ascorbylepigallocatechin 3-O-gallate C28H24O17 632.101349 NA MeJP NA NA +MJ087340 Bergenin; 3,4-Bis-O-(3,4,5-trihydroxybenzoyl) C28H24O17 632.101349 NA MeJP NA NA +MJ087341 Bergenin; 4,11-Bis-O-(3,4,5-trihydroxybenzoyl) C28H24O17 632.101349 NA MeJP NA NA +PJ010545 SCCCCD C19H32N6O10S4 632.1063 NA PeJP NA NA +PJ010546 ACCCCM C20H36N6O7S5 632.1249 NA PeJP NA NA +MJ087342 Antibiotic L 658310 C26H28N6O9S2 632.135917 NA MeJP NA NA +PJ010547 SSCCCM C20H36N6O9S4 632.1427 NA PeJP NA NA +MJ087343 Pyranoamentoflavone; 4''',7-Di-Me ether C37H28O10 632.168247 NA MeJP NA NA +MJ087344 Pyranoamentoflavone; 4',7-Di-Me ether C37H28O10 632.168247 NA MeJP NA NA +MJ087345 3-Hydroxy-2H-1-benzopyran-2-one; O-[5-O-(4-Hydroxy-3-methoxycinnamoyl)-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C30H32O15 632.17412 NA MeJP NA NA +MJ087346 6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxycinnamoyl-(?3)]-?-D-glucopyranoside] C30H32O15 632.17412 NA MeJP NA NA +MJ087347 6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxycinnamoyl-(?4)]-?-D-glucopyranoside] C30H32O15 632.17412 NA MeJP NA NA +MJ087348 Elloramycin B C30H32O15 632.17412 NA MeJP NA NA +MJ087349 Paeoniflorin; 6'-O-(3,4,5-Trihydroxybenzoyl) C30H32O15 632.17412 NA MeJP NA NA +MJ087350 Pyranocyanin B; 6''-O-?-L-Rhamnopyranosyl C30H33O15(+) 632.17412 NA MeJP NA NA +PJ010548 CCNMY C24H36N6O8S3 632.1757 NA PeJP NA NA +PJ010549 GSCDDH C22H32N8O12S 632.1861 NA PeJP NA NA +MJ087351 Antibiotic PI 061; 14a-S-De-Me C30H36N2O9S2 632.186222 NA MeJP NA NA +PJ010550 APCCCH C23H36N8O7S3 632.1869 NA PeJP NA NA +MJ087352 6-Chloro-3,4-epoxy-2,8,9,11,12,14,16-heptahydroxy-5-briaren-18,7-olide; 2,9,12,14-Tetra-Ac C28H37ClO14 632.187183 NA MeJP NA NA +MJ087353 8-[1-Hydroxy-2-[[5-hydroxy-3,6,8-trimethoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-3-methyl-3-butenyl]-7-methoxy-2H-1-benzopyran-2-one C34H32O12 632.189376 NA MeJP NA NA +MJ087354 Hemsleyanoside F C34H32O12 632.189376 NA MeJP NA NA +PJ010551 GPDDDD C23H32N6O15 632.1926 NA PeJP NA NA +PJ010552 GSTCCY C24H36N6O10S2 632.1935 NA PeJP NA NA +MJ087355 N'-[[2-[2-[(4-Chlorophenyl)thio]ethoxy]-3-methoxy-5-[tetrahydro-5-(3,4,5-trimethoxyphenyl)-2-furanyl]phenyl]methyl]-N-hydroxy-N-methylurea C31H37ClN2O8S 632.195914 NA MeJP NA NA +PJ010553 CNEMH C23H36N8O9S2 632.2047 NA PeJP NA NA +PJ010554 CCNFF C28H36N6O7S2 632.2087 NA PeJP NA NA +FL5FAAGI0004 Ikarisoside F C31H36O14 632.2105 113558-14-8 knapsack NA NA +MJ087356 3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside] C31H36O14 632.210505 NA MeJP NA NA +MJ087357 Haperforin B3; 12-Ac C31H36O14 632.210505 NA MeJP NA NA +MJ087358 Harrisonin; 11?,12?-Diacetoxy C31H36O14 632.210505 NA MeJP NA NA +MJ087359 Hypoxylon oceanicum Macrolide antibiotic; Deoxy C31H36O14 632.210505 NA MeJP NA NA +PJ010555 SSSSCY C24H36N6O12S 632.2112 NA PeJP NA NA +PJ010556 CCDHR C22H36N10O8S2 632.2159 NA PeJP NA NA +PJ010557 GCMHW C27H36N8O6S2 632.22 NA PeJP NA NA +PJ010558 GSSDMH C23H36N8O11S 632.2225 NA PeJP NA NA +MJ087360 Rutaevin; O-(4-Hydroxycinnamoyl) (Z-) C35H36O11 632.225761 NA MeJP NA NA +MJ087361 Rutaevin; O-(4-Hydroxycinnamoyl)(E-) C35H36O11 632.225761 NA MeJP NA NA +PJ010559 GCQYY C28H36N6O9S 632.2265 NA PeJP NA NA +HMDB06607 3-Sialyllactosamine C23H40N2O18 632.2276 http://www.hmdb.ca/metabolites/HMDB06607 HMDB NA NA +HMDB06607 3-Sialyllactosamine C23H40N2O18 632.2276 HMDB06607 PFEM_hmdb_metabocards_official NA NA +HMDB06607 3'-Sialyllactosamine C23H40N2O18 632.2276 NA HMDB2010 NA NA +PJ010560 GSPDEE C24H36N6O14 632.229 NA PeJP NA NA +PJ010561 APPCDM C25H40N6O9S2 632.2298 NA PeJP NA NA +PJ010562 GPPCEM C25H40N6O9S2 632.2299 NA PeJP NA NA +PJ010563 STCHW C27H36N8O8S 632.2377 NA PeJP NA NA +PJ010564 SSSSEH C23H36N8O13 632.2402 NA PeJP NA NA +MJ087362 Mulberrofuran E C39H36O8 632.241018 NA MeJP NA NA +PJ010565 SQMMH C24H40N8O8S2 632.2411 NA PeJP NA NA +PJ010566 SPDEW C28H36N6O11 632.2442 NA PeJP NA NA +PJ010567 PPCMW C29H40N6O6S2 632.2451 NA PeJP NA NA +MJ087363 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6,8,14-penta-Ac C32H40O13 632.246891 NA MeJP NA NA +MJ087364 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-Benzoyl, 1,2,6,9,14-penta-Ac C32H40O13 632.246891 NA MeJP NA NA +MJ087365 Flindercarpin 2 C32H40O13 632.246891 NA MeJP NA NA +MJ087366 Woorenol C32H40O13 632.246891 NA MeJP NA NA +PJ010568 PQEEM C25H40N6O11S 632.2476 NA PeJP NA NA +C18154 3-Hydroxyethylchlorophyllide a C35H36MgN4O6 632.2485 NA KEGG NA NA +C18155 Bacteriochlorophyllide a C35H36MgN4O6 632.2485 NA KEGG NA NA +PJ010569 NNDDR C22H36N10O12 632.2514 NA PeJP NA NA +PJ010570 GGNDDR C22H36N10O12 632.2515 NA PeJP NA NA +PJ010571 SCMHR C23H40N10O7S2 632.2523 NA PeJP NA NA +PJ010572 GNQEW C27H36N8O10 632.2555 NA PeJP NA NA +PJ010573 PDDMR C24H40N8O10S 632.2588 NA PeJP NA NA +PJ010574 GGGGGPTM C24H40N8O10S 632.2589 NA PeJP NA NA +MJ087367 4,18-Epoxy-6,7,8,19-tetrahydroxy-11,13-clerodadien-15,16-olide, 11,12-Dihydro, 6,7-dibenzoyl, 19-Ac C36H40O10 632.262147 NA MeJP NA NA +MJ087368 4,18-Epoxy-6,8,11,19-tetrahydroxy-13-cleroden-15,16-olide, 6,19-Dibenzoyl, 11-Ac C36H40O10 632.262147 NA MeJP NA NA +MJ087369 Picrajavanin A C36H40O10 632.262147 NA MeJP NA NA +PJ010575 APEMW C29H40N6O8S 632.2629 NA PeJP NA NA +PJ010576 VQEEE C25H40N6O13 632.2654 NA PeJP NA NA +PJ010577 GPPTMM C26H44N6O8S2 632.2662 NA PeJP NA NA +PJ010578 PNEHH C26H36N10O9 632.2667 NA PeJP NA NA +MJ087370 15,16-Epoxy-12,13,14,15,16-pentahydroxy-3-cleroden-17,6-olid-18-oic acid, 15,16-Di-Me ether, 12-O-?-D-glucopyranoside, Me ester C29H44O15 632.26802 NA MeJP NA NA +MJ087371 15,16-Epoxy-6,13,14,15,16-pentahydroxy-3-cleroden-17,12-olid-18-oic acid, 15,16-Di-Me ether, 6-O-?-D-glucopyranoside, Me ester C29H44O15 632.26802 NA MeJP NA NA +PJ010579 GSPCNR C23H40N10O9S 632.2701 NA PeJP NA NA +PJ010580 NQWW C31H36N8O7 632.2707 NA PeJP NA NA +PJ010581 AQMHF C28H40N8O7S 632.2741 NA PeJP NA NA +PJ010582 AEEER C24H40N8O12 632.2766 NA PeJP NA NA +PJ010583 SKMMH C25H44N8O7S2 632.2775 NA PeJP NA NA +PJ010584 GLEEW C29H40N6O10 632.2806 NA PeJP NA NA +7050 Alloferon 1 (Streptococcus pyogenes) HGVSGHGQHGVHG 632.2815 MH2+ Inhouse_peptide NA peptide +PJ010585 GPHHW C30H36N10O6 632.282 NA PeJP NA NA +MJ087372 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1-(2-methylbutanoyl), 2,6,14-tri-Ac C33H44O12 632.283276 NA MeJP NA NA +MJ087373 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 14-(2-methylbutanoyl), 1,2,6-tri-Ac C33H44O12 632.283276 NA MeJP NA NA +MJ087374 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 8-(2-methylbutanoyl), 1,6,14-tri-Ac C33H44O12 632.283276 NA MeJP NA NA +MJ087375 11,12-Dihydroxyhavanensin-28-oic acid, 1,7,12-Tri-Ac, Me ester C33H44O12 632.283276 NA MeJP NA NA +MJ087376 Meliacarpinin; 11-Methoxy, 1-deoxy, 3-O-tigloyl C33H44O12 632.283276 NA MeJP NA NA +MJ087377 Trichilin B; 12-Epimer, 2-O-de-Ac C33H44O12 632.283276 NA MeJP NA NA +MJ087378 Trichilin B; 2-O-De-Ac C33H44O12 632.283276 NA MeJP NA NA +MJ087379 Xyloccensin I; 30-O-Deacyl, 30-O-(2-methylpropanoyl) C33H44O12 632.283276 NA MeJP NA NA +PJ010586 PKEEM C26H44N6O10S 632.284 NA PeJP NA NA +PJ010587 ACHFR C27H40N10O6S 632.2853 NA PeJP NA NA +PJ010588 SNQER C23H40N10O11 632.2878 NA PeJP NA NA +PJ010589 GGGGGGGSK C23H40N10O11 632.2879 NA PeJP NA NA +C09608 Phaeantharine C39H40N2O6 632.2886 NA KEGG NA NA +PJ010590 ANDKW C28H40N8O9 632.2918 NA PeJP NA NA +PJ010591 GNKEW C28H40N8O9 632.2919 NA PeJP NA NA +PJ010592 PTEMR C25H44N8O9S 632.2952 NA PeJP NA NA +MJ087380 Casokefamide C33H40N6O7 632.295847 NA MeJP NA NA +PJ010593 LEWW C33H40N6O7 632.2959 NA PeJP NA NA +PJ010594 SPLMW C30H44N6O7S 632.2992 NA PeJP NA NA +PJ010595 GPPCLF C30H44N6O7S 632.2993 NA PeJP NA NA +3270 NA KDQDK 632.2998 celiac toxic Inhouse_peptide NA peptide +3654 NA DETRL 632.3009 ACE inhibitor Inhouse_peptide NA peptide +PJ010596 VKEEE C26H44N6O12 632.3017 NA PeJP NA NA +PJ010597 LDKEE C26H44N6O12 632.3018 NA PeJP NA NA +PJ010598 AAPLMM C27H48N6O7S2 632.3026 NA PeJP NA NA +PJ010599 GSQRW C27H40N10O8 632.3031 NA PeJP NA NA +MJ087381 Locicortolone dicibate C36H50Cl2O5 632.30353 NA MeJP NA NA +PJ010600 AQQMR C24H44N10O8S 632.3064 NA PeJP NA NA +PJ010601 GAAQMR C24H44N10O8S 632.3065 NA PeJP NA NA +PJ010602 NKWW C32H40N8O6 632.3071 NA PeJP NA NA +PJ010603 AKMHF C29H44N8O6S 632.3105 NA PeJP NA NA +PJ010604 SLEER C25H44N8O11 632.313 NA PeJP NA NA +PJ010605 PVMMR C26H48N8O6S2 632.3139 NA PeJP NA NA +PJ010606 SPHHR C26H40N12O7 632.3143 NA PeJP NA NA +PJ010607 SVLEW C30H44N6O9 632.317 NA PeJP NA NA +PJ010608 GNMRR C23H44N12O7S 632.3177 NA PeJP NA NA +MJ087382 14,20-Epoxy-3,17-dihydroxy-1-oxowitha-5,24-dienolide, 3-O-?-D-Glucopyranoside C34H48O11 632.319662 NA MeJP NA NA +MJ087383 3,20,27-Trihydroxy-1-oxowitha-5,14,24-trienolide, 3-O-?-D-Glucopyranoside C34H48O11 632.319662 NA MeJP NA NA +MJ087384 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-Tigloyl, 12-(2S-methylbutanoyl), di-Ac C34H48O11 632.319662 NA MeJP NA NA +MJ087385 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 12-Tigloyl, 1-(2S-methylbutanoyl), di-Ac C34H48O11 632.319662 NA MeJP NA NA +MJ087386 Euphorrepinol; 7,15-Ditigloyl, 3,5-di-Ac C34H48O11 632.319662 NA MeJP NA NA +MJ087387 Moritoside C34H48O11 632.319662 NA MeJP NA NA +MJ087388 Withaferin A; 27-O-?-D-Glucopyranoside C34H48O11 632.319662 NA MeJP NA NA +PJ010609 LLQEM C27H48N6O9S 632.3204 NA PeJP NA NA +PJ010610 SNKER C24H44N10O10 632.3242 NA PeJP NA NA +PJ010611 GDKKW C29H44N8O8 632.3282 NA PeJP NA NA +PJ010612 GGGAPKF C29H44N8O8 632.3283 NA PeJP NA NA +PJ010613 VVEMR C26H48N8O8S 632.3316 NA PeJP NA NA +PJ010614 APLFW C34H44N6O6 632.3323 NA PeJP NA NA +CJneg0652 L-urobilinogen [(M+Cl)]- C33H48ClN4O6 632.334625 C18rt(min)=9.4 Neg putatively identified a,b Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0652 L-urobilinogen [(M+Cl)]- C33H48ClN4O6 632.334625 C18rt(min)=9.4 Neg putatively identified a,b base_CJunot_PubAnalChem2012_NEG negative NA +PJ010615 SSQRR C23H44N12O9 632.3354 NA PeJP NA NA +PJ010616 GGSTRR C23H44N12O9 632.3355 NA PeJP NA NA +PJ010617 ALLMW C31H48N6O6S 632.3356 NA PeJP NA NA +PJ010618 GTTLLE C27H48N6O11 632.3381 NA PeJP NA NA +PJ010619 GSKRW C28H44N10O7 632.3395 NA PeJP NA NA +MJ087389 Methyl hexa(?-hydroxyisovalerate) C31H52O13 632.340791 NA MeJP NA NA +PJ010620 AQKMR C25H48N10O7S 632.3428 NA PeJP NA NA +PJ010621 GAAKMR C25H48N10O7S 632.3429 NA PeJP NA NA +PJ010622 TQKKE C26H48N8O10 632.3494 NA PeJP NA NA +MJ087390 Longithorone E C42H48O5 632.350174 NA MeJP NA NA +MJ087391 Longithorone H; 4',5'-Dihydro C42H48O5 632.350174 NA MeJP NA NA +PJ010623 ALHHR C27H44N12O6 632.3507 NA PeJP NA NA +PJ010624 TTLLW C31H48N6O8 632.3534 NA PeJP NA NA +PJ010625 ACKRR C24H48N12O6S 632.3541 NA PeJP NA NA +MJ087392 16,23:23,26:24,25-Triepoxycycloart-7-ene-1,3,26-triol, 3-O-?-D-Xylopyranoside C35H52O10 632.356047 NA MeJP NA NA +MJ087393 24,25-Epoxy-3,11,15-trihydroxycycloart-7-ene-16,23-dione, 3-O-?-D-Xylopyranoside C35H52O10 632.356047 NA MeJP NA NA +MJ087394 3,23-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-?-D-Glucuronopyranoside C35H52O10 632.356047 NA MeJP NA NA +PJ010626 LLKEM C28H52N6O8S 632.3568 NA PeJP NA NA +PJ010627 SDKKR C25H48N10O9 632.3606 NA PeJP NA NA +PJ010628 ATKKW C30H48N8O7 632.3646 NA PeJP NA NA +PJ010629 TLLMR C27H52N8O7S 632.368 NA PeJP NA NA +MJ087395 2,3,23-Trihydroxy-12,19(29)-ursadien-28-oic acid, 23-(4-Hydroxycinnamoyl) (E)- C39H52O7 632.371304 NA MeJP NA NA +MJ087396 3,27-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone, 27-(3,4-dihydroxycinnamoyl) C39H52O7 632.371304 NA MeJP NA NA +MJ087397 3,27-Dihydroxy-12-ursen-28-oic acid, 3-Ketone, 27-(3,4-dihydroxycinnamoyl) C39H52O7 632.371304 NA MeJP NA NA +PJ010630 SSKRR C24H48N12O8 632.3718 NA PeJP NA NA +C09200 Geissospermine C40H48N4O3 632.3726 NA KEGG NA NA +MJ087398 Geissospermine C40H48N4O3 632.372641 NA MeJP NA NA +MJ087399 Kopsoffinol C40H48N4O3 632.372641 NA MeJP NA NA +MJ087400 Tabernamine; 3'-Hydroxy C40H48N4O3 632.372641 NA MeJP NA NA +PJ010631 SSTLLL C28H52N6O10 632.3745 NA PeJP NA NA +PJ010632 VLKHH C29H48N10O6 632.3759 NA PeJP NA NA +MJ087401 8(17)-Labdene-15,19-diol, 15,19-Di-O-?-D-glucopyranoside C32H56O12 632.377177 NA MeJP NA NA +MJ087402 8(17)-Labdene-6,15-diol, Di-O-?-D-glucopyranoside C32H56O12 632.377177 NA MeJP NA NA +PJ010633 AKKMR C26H52N10O6S 632.3792 NA PeJP NA NA +PJ010634 TKKKE C27H52N8O9 632.3857 NA PeJP NA NA +PJ010635 GSTLKK C27H52N8O9 632.3858 NA PeJP NA NA +PJ010636 PLLKY C32H52N6O7 632.3898 NA PeJP NA NA +C08964 Oleanoic acid 3-O-glucuronide C36H56O9 632.3924 NA KEGG NA NA +MJ087403 11,12-Epoxy-3,13-dihydroxy-28-oleananoic acid, 28?13 Lactone, 3-O-?-D-glucopyranoside C36H56O9 632.392433 NA MeJP NA NA +MJ087404 16,23-Epoxy-3,20-dihydroxycucurbita-5,24-dien-11-one, 3-O-?-D-Glucopyranoside C36H56O9 632.392433 NA MeJP NA NA +MJ087405 2,3-Dihydroxy-12,19(29)-ursadien-28-oic acid, ?-D-Glucopyranosyl ester C36H56O9 632.392433 NA MeJP NA NA +MJ087406 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-?-D-glucopyranoside C36H56O9 632.392433 NA MeJP NA NA +MJ087407 3,5,11,14,19-Pentahydroxybufa-20,22-dienolide, 3-(12-Hydroxydodecanoyl) C36H56O9 632.392433 NA MeJP NA NA +MJ087408 3,7-Dihydroxylanosta-8,24-dien-21-oic acid, 3-Ketone, 7-O-?-D-glucopyranoside C36H56O9 632.392433 NA MeJP NA NA +MJ087409 3-Hydroxy-12-oleanene-27,28-dioic acid, 3-O-(6-Deoxy-?-D-glucopyranoside) C36H56O9 632.392433 NA MeJP NA NA +MJ087410 3-Hydroxy-12-oleanene-27,28-dioic acid, 3-O-?-D-Fucopyranoside C36H56O9 632.392433 NA MeJP NA NA +MJ087411 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-(6-Deoxy-?-D-glucopyranoside) C36H56O9 632.392433 NA MeJP NA NA +MJ087412 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-?-L-Fucopyranoside C36H56O9 632.392433 NA MeJP NA NA +MJ087413 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-?-L-Rhamnopyranoside C36H56O9 632.392433 NA MeJP NA NA +MJ087414 3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside C36H56O9 632.392433 NA MeJP NA NA +MJ087415 Oleanolic acid 3-glycosides; Monoglycosides, 3-O-?-D-Glucuronopyranoside C36H56O9 632.392433 NA MeJP NA NA +PJ010637 TTKKR C26H52N10O8 632.397 NA PeJP NA NA +PJ010638 VVLFR C31H52N8O6 632.401 NA PeJP NA NA +PJ010639 VKKKM C28H56N8O6S 632.4044 NA PeJP NA NA +MJ087416 3,21-Dihydroxy-12-oleanen-28-oic acid, 21-O-(4-Methoxy-E-cinnamoyl) C40H56O6 632.407689 NA MeJP NA NA +MJ087417 3,27-Dihydroxy-12-oleanen-28-oic acid, 27-Benzoyl, 3-Ac, Me ester C40H56O6 632.407689 NA MeJP NA NA +MJ087418 Grandione C40H56O6 632.407689 NA MeJP NA NA +MJ087419 Persianone C40H56O6 632.407689 NA MeJP NA NA +MJ087420 Taiwaniadduct B C40H56O6 632.407689 NA MeJP NA NA +MJ087421 Taiwaniadduct C C40H56O6 632.407689 NA MeJP NA NA +MJ087422 Taiwaniadduct D C40H56O6 632.407689 NA MeJP NA NA +MJ087423 Taiwaniadduct E C40H56O6 632.407689 NA MeJP NA NA +MJ087424 Taiwaniadduct F C40H56O6 632.407689 NA MeJP NA NA +MJ087425 Methylenebismehranine C41H52N4O2 632.409026 NA MeJP NA NA +MJ087426 Pupukeamide C34H56N4O7 632.4149 NA MeJP NA NA +PJ010640 LLLKF C33H56N6O6 632.4262 NA PeJP NA NA +MJ087427 5,19-Epoxycucurbita-6,23-diene-3,25-diol, O25-Me, 3-O-?-D-allopyranoside C37H60O8 632.428818 NA MeJP NA NA +MJ087428 5,19-Epoxycucurbita-6,23-diene-3,25-diol, O25-Me, 3-O-?-D-glucopyranoside C37H60O8 632.428818 NA MeJP NA NA +MJ087429 Oleanolic acid glycosyl esters; Monoglycosides, Me ether, ?-D-glucopyranosyl ester C37H60O8 632.428818 NA MeJP NA NA +MJ087430 Niloticol C38H64O7 632.465204 NA MeJP NA NA +EUR1036 d18:1-12:0 SM [M-H-CH3]- C35H71N2O6P 632.489326 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1036 d18:1-12:0 SM [M-H-CH3]- C35H71N2O6P 632.489326 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1036 d18:1-12:0 SM [M-H-CH3]- C35H71N2O6P 632.489326 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1036 d18:1-12:0 SM [M-H-CH3]- C35H71N2O6P 632.489326 masses lipides attendues Inhousejuil11 NA NA +EUR536 12 :0 SM F3 F3 632.491025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR536 12 :0 SM F3 NA 632.491025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR536 12 :0 SM F3 F3 632.491025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR536 12 :0 SM F3 NA 632.491025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR536 12 :0 SM F3 F3 632.491025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR536 12 :0 SM F3 NA 632.491025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR536 12 :0 SM F3 F3 632.491025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR536 12 :0 SM F3 F3 632.491025 standards wishlist analysés sur QTOF HMDB NA NA +EUR536 12 :0 SM F3 F3 632.491025 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR536 12 :0 SM F3 NA 632.491025 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR536 12 :0 SM F3 F3 632.491025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR536 12 :0 SM F3 F3 632.491025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ087431 Mebolazine C42H68N2O2 632.528079 NA MeJP NA NA +PJ010641 CCDMY C24H35N5O9S3 633.1597 NA PeJP NA NA +MJ087432 1,2,6,7-Tetrahydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Methylene, 7-Me ether, 6-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C29H31NO15 633.169369 NA MeJP NA NA +PJ010642 CCMMF C25H39N5O6S4 633.1783 NA PeJP NA NA +MJ087433 2-[4-[(2,6-Dideoxy-2-fluoro-?-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl ?-alaninate C30H32FNO13 633.185768 NA MeJP NA NA +PJ010643 CDEMH C23H35N7O10S2 633.1887 NA PeJP NA NA +PJ010644 CCDFF C28H35N5O8S2 633.1927 NA PeJP NA NA +PJ010645 SCMMY C25H39N5O8S3 633.1961 NA PeJP NA NA +PJ010646 GSCCQH C22H35N9O9S2 633.1999 NA PeJP NA NA +PJ010647 GPCNDE C23H35N7O12S 633.2065 NA PeJP NA NA +PJ010648 GCEYY C28H35N5O10S 633.2105 NA PeJP NA NA +HMDB00825 3'-Sialyllactose C23H39NO19 633.211609 NA HMDB2010 NA NA +HMDB06569 6'-Sialyllactose C23H39NO19 633.211609 NA HMDB2010 NA NA +HMDB00825 3-Sialyllactose C23H39NO19 633.21161 http://www.hmdb.ca/metabolites/HMDB00825 HMDB NA NA +HMDB06569 6-Sialyllactose C23H39NO19 633.21161 http://www.hmdb.ca/metabolites/HMDB06569 HMDB NA NA +HMDB00825 3-Sialyllactose C23H39NO19 633.21161 HMDB00825 PFEM_hmdb_metabocards_official NA NA +HMDB06569 6-Sialyllactose C23H39NO19 633.21161 HMDB06569 PFEM_hmdb_metabocards_official NA NA +PJ010649 SSSCNH C22H35N9O11S 633.2177 NA PeJP NA NA +PJ010650 PCNDW C27H35N7O9S 633.2217 NA PeJP NA NA +PJ010651 NNEEE C23H35N7O14 633.2242 NA PeJP NA NA +PJ010652 SEMMH C24H39N7O9S2 633.2251 NA PeJP NA NA +PJ010653 CYYW C32H35N5O7S 633.2257 NA PeJP NA NA +PJ010654 SSDYY C28H35N5O12 633.2282 NA PeJP NA NA +PJ010655 ACMFY C29H39N5O7S2 633.2291 NA PeJP NA NA +PJ010656 PEEEM C25H39N5O12S 633.2316 NA PeJP NA NA +PJ010657 CNNHF C26H35N9O8S 633.233 NA PeJP NA NA +PJ010658 NDDDR C22H35N9O13 633.2355 NA PeJP NA NA +PJ010659 GSCCKH C23H39N9O8S2 633.2363 NA PeJP NA NA +PJ010660 GNEEW C27H35N7O11 633.2395 NA PeJP NA NA +PJ010661 PCMHF C28H39N7O6S2 633.2404 NA PeJP NA NA +PJ010662 GSPNEM C24H39N7O11S 633.2429 NA PeJP NA NA +PJ010663 CLMMH C25H43N7O6S3 633.2437 NA PeJP NA NA +PJ010664 TCHHH C25H35N11O7S 633.2442 NA PeJP NA NA +PJ010665 GTMYY C29H39N5O9S 633.2469 NA PeJP NA NA +PJ010666 VEEEE C25H39N5O14 633.2494 NA PeJP NA NA +PJ010667 SNNNW C26H35N9O10 633.2507 NA PeJP NA NA +PJ010668 GSPCDR C23H39N9O10S 633.2541 NA PeJP NA NA +PJ010669 NEWW C31H35N7O8 633.2547 NA PeJP NA NA +PJ010670 SPNMW C28H39N7O8S 633.2581 NA PeJP NA NA +PJ010671 NDKEE C24H39N7O13 633.2606 NA PeJP NA NA +PJ010672 PQQMM C25H43N7O8S2 633.2615 NA PeJP NA NA +PJ010673 ACFFF C33H39N5O6S 633.2621 NA PeJP NA NA +PJ010674 STTYY C29H39N5O11 633.2646 NA PeJP NA NA +PJ010675 CNNQR C22H39N11O9S 633.2653 NA PeJP NA NA +PJ010676 GWWW C35H35N7O5 633.27 NA PeJP NA NA +PJ010677 SNEER C23H39N9O12 633.2718 NA PeJP NA NA +PJ010678 GGSEER C23H39N9O12 633.2719 NA PeJP NA NA +PJ010679 PCQMR C24H43N9O7S2 633.2727 NA PeJP NA NA +PJ010680 GDKEW C28H39N7O10 633.2759 NA PeJP NA NA +PJ010681 GHHHF C29H35N11O6 633.2772 NA PeJP NA NA +C08663 Beiwutine C32H43NO12 633.2785 NA KEGG NA NA +PJ010682 VQQEM C25H43N7O10S 633.2792 NA PeJP NA NA +PJ010683 GGGALEM C25H43N7O10S 633.2793 NA PeJP NA NA +PJ010684 AAFYY C33H39N5O8 633.2799 NA PeJP NA NA +PJ010685 GSSNNR C22H39N11O11 633.2831 NA PeJP NA NA +PJ010686 PCCRR C23H43N11O6S2 633.284 NA PeJP NA NA +MJ087434 Penitrem A C37H44ClNO6 633.285715 NA MeJP NA NA +MJ087435 Pennigritrem C37H44ClNO6 633.285715 NA MeJP NA NA +PJ010687 GSERW C27H39N9O9 633.2871 NA PeJP NA NA +PJ010688 AQEMR C24H43N9O9S 633.2905 NA PeJP NA NA +PJ010689 DKWW C32H39N7O7 633.2911 NA PeJP NA NA +MJ087436 Cardiopidine C36H43NO9 633.293781 NA MeJP NA NA +PJ010690 GLQMW C29H43N7O7S 633.2945 NA PeJP NA NA +PJ010691 TQKEE C25H43N7O12 633.297 NA PeJP NA NA +PJ010692 PQKMM C26H47N7O7S2 633.2979 NA PeJP NA NA +PJ010693 VNQHH C26H39N11O8 633.2983 NA PeJP NA NA +PJ010694 GGGGLHH C26H39N11O8 633.2984 NA PeJP NA NA +PJ010695 PLEEF C30H43N5O10 633.301 NA PeJP NA NA +PJ010696 GDMRR C23H43N11O8S 633.3017 NA PeJP NA NA +PJ010697 SRWW C31H39N9O6 633.3023 NA PeJP NA NA +PJ010698 PPHHF C31H39N9O6 633.3024 NA PeJP NA NA +PJ010699 LLEEM C27H47N5O10S 633.3044 NA PeJP NA NA +PJ010700 AAMRW C28H43N9O6S 633.3057 NA PeJP NA NA +PJ010701 SDKER C24H43N9O11 633.3082 NA PeJP NA NA +PJ010702 PCKMR C25H47N9O6S2 633.3091 NA PeJP NA NA +PJ010703 GQHHR C25H39N13O7 633.3096 NA PeJP NA NA +PJ010704 ATKEW C29H43N7O9 633.3122 NA PeJP NA NA +PJ010705 GGTTLW C29H43N7O9 633.3123 NA PeJP NA NA +MJ087437 4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18-Tetra-Me, N-Et, O14-(4-methoxybenzoyl) C33H47NO11 633.314911 NA MeJP NA NA +MJ087438 Aconifine; 8-O-De-Ac, 8-Et ether, N-de-Et, N-Me C33H47NO11 633.314911 NA MeJP NA NA +PJ010706 VQKEM C26H47N7O9S 633.3156 NA PeJP NA NA +MJ087439 Sativanine F C34H43N5O7 633.316248 NA MeJP NA NA +PJ010707 SSERR C23H43N11O10 633.3195 NA PeJP NA NA +PJ010708 ATTRW C28H43N9O8 633.3235 NA PeJP NA NA +PJ010709 SLQMR C25H47N9O8S 633.3268 NA PeJP NA NA +PJ010710 AKEMR C25H47N9O8S 633.3269 NA PeJP NA NA +PJ010711 GPKFW C33H43N7O6 633.3275 NA PeJP NA NA +PJ010712 GLKMW C30H47N7O6S 633.3309 NA PeJP NA NA +PJ010713 TKKEE C26H47N7O11 633.3334 NA PeJP NA NA +PJ010714 PKKMM C27H51N7O6S2 633.3342 NA PeJP NA NA +PJ010715 PPQHR C27H43N11O7 633.3347 NA PeJP NA NA +PJ010716 PLLEY C31H47N5O9 633.3374 NA PeJP NA NA +PJ010717 ATMRR C24H47N11O7S 633.3381 NA PeJP NA NA +PJ010718 TTKER C25H47N9O10 633.3446 NA PeJP NA NA +PJ010719 GKHHR C26H43N13O6 633.346 NA PeJP NA NA +PJ010720 STLKW C30H47N7O8 633.3486 NA PeJP NA NA +PJ010721 GGGVVVF C30H47N7O8 633.3487 NA PeJP NA NA +PJ010722 VKKEM C27H51N7O8S 633.352 NA PeJP NA NA +PJ010723 TTTRR C24H47N11O9 633.3558 NA PeJP NA NA +PJ010724 APKRY C29H47N9O7 633.3599 NA PeJP NA NA +PJ010725 SLKMR C26H51N9O7S 633.3632 NA PeJP NA NA +PJ010726 GACKKK C26H51N9O7S 633.3633 NA PeJP NA NA +PJ010727 SSSLLK C27H51N7O10 633.3698 NA PeJP NA NA +PJ010728 GVFRR C28H47N11O6 633.3711 NA PeJP NA NA +PJ010729 LLLEF C32H51N5O8 633.3738 NA PeJP NA NA +PJ010730 GSSKKK C26H51N9O9 633.381 NA PeJP NA NA +PJ010731 FRRR C27H47N13O5 633.3823 NA PeJP NA NA +PJ010732 PVKKY C31H51N7O7 633.385 NA PeJP NA NA +PJ010733 ALKFR C30H51N9O6 633.3963 NA PeJP NA NA +PJ010734 CKKKK C27H55N9O6S 633.3996 NA PeJP NA NA +PJ010735 LLLLY C33H55N5O7 633.4102 NA PeJP NA NA +PJ010736 VLKKF C32H55N7O6 633.4214 NA PeJP NA NA +HMDB08822 PE(14:0/14:1(9Z)) C33H64NO8P 633.436951 NA HMDB2010 NA NA +HMDB08854 PE(14:1(9Z)/14:0) C33H64NO8P 633.436951 NA HMDB2010 NA NA +MJ087440 2-Amino-17-methyl-4-octadecene-1,3-diol, N-(2R-Hydroxy-13-methyltetradecanoyl), 1-O-sulfate C34H67NO7S 633.463824 NA MeJP NA NA +MJ087441 2-Amino-18-methyl-4-nonadecene-1,3-diol, N-(2R-Hydroxy-11?-methyltridecanoyl), 1-O-sulfate C34H67NO7S 633.463824 NA MeJP NA NA +MJ087442 2-Amino-4-octadecene-1,3-diol, N-(2R-Hydroxy-14?-methylpentadecanoyl), 1-sulfate C34H67NO7S 633.463824 NA MeJP NA NA +MJ087443 Oxysceptrin C22H24Br2N10O3 634.039959 NA MeJP NA NA +C10219 Corilagin C27H22O18 634.0806 NA KEGG NA NA +MJ087444 1,3-Hexahydroxydiphenoylglucose; ?-D-Pyranose-form, 6-O-(3,4,5-Trihydroxybenzoyl) C27H22O18 634.080613 NA MeJP NA NA +MJ087445 1,6-Hexahydroxydiphenoylglucose, 3-O-(3,4,5-Trihydroxybenzoyl) C27H22O18 634.080613 NA MeJP NA NA +MJ087446 2,3-Hexahydroxydiphenoylglucose; (S)axial-?-D-Pyranose-form, 1-O-(3,4,5-Trihydroxybenzoyl) C27H22O18 634.080613 NA MeJP NA NA +MJ087447 2,3-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form, 4-O-(3,4,5-Trihydroxybenzoyl) C27H22O18 634.080613 NA MeJP NA NA +MJ087448 2,3-Hexahydroxydiphenoylglucose; (S)axial-?-D-Pyranose-form, 1-O-(3,4,5-Trihydroxybenzoyl) C27H22O18 634.080613 NA MeJP NA NA +MJ087449 3,6-Hexahydroxydiphenoylglucose; (R)axial-D-pyranose-form, 2-O-(3,4,5-Trihydroxybenzoyl) C27H22O18 634.080613 NA MeJP NA NA +MJ087450 4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1-O-(3,4,5-Trihydroxybenzoyl) C27H22O18 634.080613 NA MeJP NA NA +MJ087451 4,6-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form, 2-O-(3,4,5-Trihydroxybenzoyl) C27H22O18 634.080613 NA MeJP NA NA +MJ087452 4,6-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form, 3-O-(3,4,5-Trihydroxybenzoyl) C27H22O18 634.080613 NA MeJP NA NA +MJ087453 4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-Pyranose-form, 1-O-(3,4,5-Trihydroxybenzoyl) C27H22O18 634.080613 NA MeJP NA NA +MJ087454 Corilagin C27H22O18 634.080613 NA MeJP NA NA +MJ087455 Punicacortein A C27H22O18 634.080613 NA MeJP NA NA +C13376 Cefpiramide sodium C25H23N8O7S2 634.1029 NA KEGG NA NA +PJ010737 TCCCCC C19H34N6O8S5 634.1042 NA PeJP NA NA +MJ087456 3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 2'',3''-Di-O-(3,4,5-trihydroxybenzoyl) C28H26O17 634.116999 NA MeJP NA NA +MJ087457 3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 2'',6''-Di-O-(3,4,5-trihydroxybenzoyl) C28H26O17 634.116999 NA MeJP NA NA +MJ087458 Actinorhodin C32H26O14 634.132255 NA MeJP NA NA +MJ087459 Flavomannin, 5,5'-Dioxo, 10,10'-dihydroxy, 3,3'-di-Me ether C32H26O14 634.132255 NA MeJP NA NA +C06691 Actinorhodine C32H26O14 634.1323 NA KEGG NA NA +PJ010738 GCCCCF C23H34N6O7S4 634.1372 NA PeJP NA NA +MJ087460 Julichrome Q2.5 C36H26O11 634.147511 NA MeJP NA NA +PJ010739 GSCCCY C23H34N6O9S3 634.155 NA PeJP NA NA +PJ010740 GSCCEH C22H34N8O10S2 634.184 NA PeJP NA NA +MJ087461 N-[[4'-[[3-Butyl-1,5-dihydro-5-oxo-1-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-4-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]benzamide C33H29F3N4O4S 634.18616 NA MeJP NA NA +MJ087462 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C30H34O15 634.18977 NA MeJP NA NA +MJ087463 Allaneroside C30H34O15 634.18977 NA MeJP NA NA +MJ087464 Sucrose; 3',4-Bis-O-(4-hydroxycinnamoyl) C30H34O15 634.18977 NA MeJP NA NA +MJ087465 Sucrose; 3',6-Bis-O-(4-hydroxycinnamoyl) C30H34O15 634.18977 NA MeJP NA NA +FL3FABGS0009 Acacetin 7-(4'''-acetylrutinoside);Linarin monoacetate;7-[[6-O-(4-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C30H34O15 634.18977 79541-06-3 knapsack NA NA +PJ010741 GPCDDE C23H34N6O13S 634.1905 NA PeJP NA NA +MJ087466 Agrocin 434 C24H34N4O16 634.196981 NA MeJP NA NA +PJ010742 SCCHW C26H34N8O7S2 634.1992 NA PeJP NA NA +PJ010743 SSSCDH C22H34N8O12S 634.2017 NA PeJP NA NA +PJ010744 CNMMH C23H38N8O7S3 634.2026 NA PeJP NA NA +PJ010745 PCDDW C27H34N6O10S 634.2057 NA PeJP NA NA +PJ010746 NDEEE C23H34N6O15 634.2082 NA PeJP NA NA +PJ010747 GGDEEE C23H34N6O15 634.2083 NA PeJP NA NA +PJ010748 SPPCCE C24H38N6O10S2 634.2091 NA PeJP NA NA +PJ010749 GCNNNN C21H34N10O11S 634.2129 NA PeJP NA NA +PJ010750 GGGCNNN C21H34N10O11S 634.213 NA PeJP NA NA +C12609 Novobiocin sodium C31H35N2O11 634.2139 NA KEGG NA NA +C12610 Transferred to D01210 C31H35N2O11 634.2139 NA KEGG NA NA +C12611 Transferred to D01211 C31H35N2O11 634.2139 NA KEGG NA NA +C12612 Transferred to D01212 C31H35N2O11 634.2139 NA KEGG NA NA +C12613 Transferred to D01213 C31H35N2O11 634.2139 NA KEGG NA NA +C12614 Transferred to D01214 C31H35N2O11 634.2139 NA KEGG NA NA +C12615 Transferred to D01215 C31H35N2O11 634.2139 NA KEGG NA NA +PJ010751 CNDHF C26H34N8O9S 634.217 NA PeJP NA NA +PJ010752 DDDDR C22H34N8O14 634.2195 NA PeJP NA NA +PJ010753 GSTCMH C23H38N8O9S2 634.2203 NA PeJP NA NA +PJ010754 GGGPCNM C23H38N8O9S2 634.2204 NA PeJP NA NA +PJ010755 GDEEW C27H34N6O12 634.2235 NA PeJP NA NA +MJ087467 Elegantin A; 1,2-Dihydro, 1?-acetoxy C31H38O14 634.226155 NA MeJP NA NA +MJ087468 Elegantin A; 21-Oxo, 23?-alcohol, 1,2-dihydro, 1?-acetoxy C31H38O14 634.226155 NA MeJP NA NA +PJ010756 GSPDEM C24H38N6O12S 634.2269 NA PeJP NA NA +PJ010757 GPPCMM C25H42N6O7S3 634.2277 NA PeJP NA NA +MJ087469 Lactodifucotetraose C24H42O19 634.232029 NA MeJP NA NA +HMDB06587 Lactodifucotetraose C24H42O19 634.232056 NA HMDB2010 NA NA +HMDB06587 Lactodifucotetraose C24H42O19 634.23206 http://www.hmdb.ca/metabolites/HMDB06587 HMDB NA NA +HMDB06587 Lactodifucotetraose C24H42O19 634.23206 HMDB06587 PFEM_hmdb_metabocards_official NA NA +PJ010758 SNNDW C26H34N8O11 634.2347 NA PeJP NA NA +PJ010759 SSSSMH C23H38N8O11S 634.2381 NA PeJP NA NA +PJ010760 DEWW C31H34N6O9 634.2388 NA PeJP NA NA +MJ087470 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-Ketone, 1-cinnamoyl, 9-benzoyl, 6,14-di-Ac C35H38O11 634.241412 NA MeJP NA NA +PJ010761 SPDMW C28H38N6O9S 634.2421 NA PeJP NA NA +PJ010762 TQEEE C24H38N6O14 634.2446 NA PeJP NA NA +PJ010763 PQEMM C25H42N6O9S2 634.2455 NA PeJP NA NA +PJ010764 CNNER C22H38N10O10S 634.2493 NA PeJP NA NA +MJ087471 Piplartine dimer A C34H38N2O10 634.252645 NA MeJP NA NA +PJ010765 GNQMW C27H38N8O8S 634.2534 NA PeJP NA NA +PJ010766 SDEER C23H38N8O13 634.2559 NA PeJP NA NA +PJ010767 PCEMR C24H42N8O8S2 634.2567 NA PeJP NA NA +PJ010768 NNNHH C24H34N12O9 634.2572 NA PeJP NA NA +PJ010769 ATEEW C28H38N6O11 634.2599 NA PeJP NA NA +PJ010770 APMMW C29H42N6O6S2 634.2607 NA PeJP NA NA +MJ087472 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 8-(2-methylpropanoyl), 1,2,14-tri-Ac C32H42O13 634.262541 NA MeJP NA NA +MJ087473 1,2,4,8,9,14-Hexahydroxydihydro-?-agarofuran, 14-Benzoyl, 8-(2-hydroxy-2-methylpropanoyl), 1,2,9-tri-Ac C32H42O13 634.262541 NA MeJP NA NA +MJ087474 Azadirachtin M C32H42O13 634.262541 NA MeJP NA NA +PJ010771 VQEEM C25H42N6O11S 634.2633 NA PeJP NA NA +C18153 3-Hydroxyethylbacteriochlorophyllide a C35H38MgN4O6 634.2642 NA KEGG NA NA +PJ010772 GCNRW C26H38N10O7S 634.2646 NA PeJP NA NA +C12045 Ansamitocin P3 C32H43ClN2O9 634.2657 NA KEGG NA NA +MJ087475 Maytansinol; 3-O-(2-Methylpropanoyl) C32H43ClN2O9 634.265708 NA MeJP NA NA +MJ087476 Maytansinol; 3-O-Butanoyl C32H43ClN2O9 634.265708 NA MeJP NA NA +PJ010773 GSSNDR C22H38N10O12 634.2671 NA PeJP NA NA +MJ087477 Curicycleatjine; 1-Epimer, 12-Me ether C38H38N2O7 634.267901 NA MeJP NA NA +MJ087478 Curicycleatjine; 12-Me ether C38H38N2O7 634.267901 NA MeJP NA NA +PJ010774 SSQQW C27H38N8O10 634.2711 NA PeJP NA NA +PJ010775 AEEMR C24H42N8O10S 634.2745 NA PeJP NA NA +PJ010776 GPEFW C32H38N6O8 634.2751 NA PeJP NA NA +MJ087479 Shizukaol B; 13,15-Dideacyl, 15-tigloyl C36H42O10 634.277797 NA MeJP NA NA +PJ010777 GLEMW C29H42N6O8S 634.2785 NA PeJP NA NA +MJ087480 Tyrosyl-1,2,3,4-tetrahydro-3-isoquinolinecarbonylphenylalanylphenylanine C37H38N4O6 634.279134 NA MeJP NA NA +MJ087481 2-Butyl-3,4-dihydro-4-oxo-N,N-diphenyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-5H-imidazo[4,5-c]pyridine-5-acetamide C38H34N8O2 634.280472 NA MeJP NA NA +PJ010778 TKEEE C25H42N6O13 634.281 NA PeJP NA NA +PJ010779 PKEMM C26H46N6O8S2 634.2819 NA PeJP NA NA +PJ010780 VNEHH C26H38N10O9 634.2823 NA PeJP NA NA +PJ010781 GGVEHH C26H38N10O9 634.2824 NA PeJP NA NA +PJ010782 SNQMR C23H42N10O9S 634.2857 NA PeJP NA NA +PJ010783 GQHFF C31H38N8O7 634.2864 NA PeJP NA NA +C06540 Rescinnamine C35H42N2O9 634.289 NA KEGG NA NA +MJ087482 Benzanthrin A C35H42N2O9 634.28903 NA MeJP NA NA +MJ087483 Reserpic acid; 3-Epimer, O-(3,4,5-trimethoxycinnamoyl), Me ester C35H42N2O9 634.28903 NA MeJP NA NA +MJ087484 Reserpic acid; O-(3,4,5-Trimethoxycinnamoyl), Me ester C35H42N2O9 634.28903 NA MeJP NA NA +PJ010784 GNKMW C28H42N8O7S 634.2897 NA PeJP NA NA +PJ010785 GGGKMW C28H42N8O7S 634.2898 NA PeJP NA NA +PJ010786 PFWW C36H38N6O5 634.2904 NA PeJP NA NA +PJ010787 TTEER C24H42N8O12 634.2922 NA PeJP NA NA +PJ010788 GGGSTKE C24H42N8O12 634.2923 NA PeJP NA NA +PJ010789 PTMMR C25H46N8O7S2 634.2931 NA PeJP NA NA +PJ010790 GEHHR C25H38N12O8 634.2936 NA PeJP NA NA +PJ010791 LMWW C33H42N6O5S 634.2938 NA PeJP NA NA +MJ087485 Immunopoietin G C29H42N6O10 634.296241 NA MeJP NA NA +MJ087486 Oxamicetin C29H42N6O10 634.296241 NA MeJP NA NA +PJ010792 STLEW C29H42N6O10 634.2963 NA PeJP NA NA +PJ010793 SCNRR C22H42N12O8S 634.2969 NA PeJP NA NA +PJ010794 GGSCRR C22H42N12O8S 634.297 NA PeJP NA NA +PJ010795 GVHHW C30H38N10O6 634.2976 NA PeJP NA NA +MJ087487 Synadenol; 7-(2-Methylbutanoyl), 3,8,14,20-tetra-Ac C33H46O12 634.298926 NA MeJP NA NA +PJ010796 VKEEM C26H46N6O10S 634.2996 NA PeJP NA NA +PJ010797 GSSTQR C23H42N10O11 634.3035 NA PeJP NA NA +PJ010798 SSQKW C28H42N8O9 634.3075 NA PeJP NA NA +PJ010799 HHRW C29H38N12O5 634.3088 NA PeJP NA NA +PJ010800 SLEMR C25H46N8O9S 634.3109 NA PeJP NA NA +PJ010801 GPLYW C33H42N6O7 634.3115 NA PeJP NA NA +PJ010802 SVLMW C30H46N6O7S 634.3149 NA PeJP NA NA +PJ010803 SSSLLE C26H46N6O12 634.3174 NA PeJP NA NA +PJ010804 LLQMM C27H50N6O7S2 634.3183 NA PeJP NA NA +PJ010805 GQQFR C27H42N10O8 634.3187 NA PeJP NA NA +PJ010806 GGGAAFR C27H42N10O8 634.3188 NA PeJP NA NA +PJ010807 SNKMR C24H46N10O8S 634.3221 NA PeJP NA NA +PJ010808 PPVHW C32H42N8O6 634.3228 NA PeJP NA NA +MJ087488 Ansatrienin B; 20,23-Quinone, 1'',2''-didehydro C36H46N2O8 634.325416 NA MeJP NA NA +PJ010809 ACKKW C29H46N8O6S 634.3261 NA PeJP NA NA +PJ010810 GSSKKE C25H46N8O11 634.3286 NA PeJP NA NA +PJ010811 VVMMR C26H50N8O6S2 634.3295 NA PeJP NA NA +PJ010812 SVHHR C26H42N12O7 634.33 NA PeJP NA NA +MJ087489 Sungucine C42H42N4O2 634.330776 NA MeJP NA NA +PJ010813 PVKEY C30H46N6O9 634.3326 NA PeJP NA NA +PJ010814 GPVVTY C30H46N6O9 634.3327 NA PeJP NA NA +MJ087490 11,12-Epoxy-10(14)-oplopene-2,3,4,9-tetrol, 9-(4-Acetoxy-3-methyl-2E-pentenoyl), 2-(2-methylbutanoyl), 3-(2-methylpropanoyl), 4-Ac C34H50O11 634.335312 NA MeJP NA NA +MJ087491 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(O-acetyl-6-deoxy-3-O-methyl-?-L-mannopyranoside) C34H50O11 634.335312 NA MeJP NA NA +MJ087492 3,14,20-Trihydroxy-1-oxowitha-5,24-dienolide, 3-O-?-D-Glucopyranoside C34H50O11 634.335312 NA MeJP NA NA +MJ087493 3,20,27-Trihydroxy-1-oxowitha-5,24-dienolide, 3-O-?-D-Glucopyranoside C34H50O11 634.335312 NA MeJP NA NA +MJ087494 4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1,12-Bis(2-methylbutanoyl), di-Ac C34H50O11 634.335312 NA MeJP NA NA +MJ087495 Aplysiatoxin; Debromo, 30-Ac C34H50O11 634.335312 NA MeJP NA NA +PJ010815 GTTLLM C27H50N6O9S 634.336 NA PeJP NA NA +2796 platelet inhibitor(fr,106-116 of bovine k-casein) MAIPPKKNQDK 634.3376 MH2+ Inhouse_peptide NA peptide +3292 bovine kappa-casein fr,106-116 MAIPPKKNQDK 634.3376 MH2+ Inhouse_peptide NA peptide +PJ010816 GSSTKR C24H46N10O10 634.3399 NA PeJP NA NA +PJ010817 SSKKW C29H46N8O8 634.3439 NA PeJP NA NA +PJ010818 TQKKM C26H50N8O8S 634.3472 NA PeJP NA NA +PJ010819 GATKKM C26H50N8O8S 634.3473 NA PeJP NA NA +PJ010820 GLLFW C34H46N6O6 634.3479 NA PeJP NA NA +MJ087496 Vilasinin; 1,7-Ditigloyl, 3-Ac C38H50O8 634.350568 NA MeJP NA NA +PJ010821 PLKMF C31H50N6O6S 634.3513 NA PeJP NA NA +PJ010822 STTTLL C27H50N6O11 634.3538 NA PeJP NA NA +PJ010823 LLKMM C28H54N6O6S2 634.3546 NA PeJP NA NA +PJ010824 GQKFR C28H46N10O7 634.3551 NA PeJP NA NA +PJ010825 TCKKR C25H50N10O7S 634.3585 NA PeJP NA NA +PJ010826 GTTTKK C26H50N8O10 634.365 NA PeJP NA NA +PJ010827 VLLQY C31H50N6O8 634.369 NA PeJP NA NA +MJ087497 16,23:23,26:24,25-Triepoxycycloart-7-ene-1,3,26-triol, 7,8-Dihydro, 3-O-?-D-xylopyranoside C35H54O10 634.371697 NA MeJP NA NA +MJ087498 16,26-Dihydroxycholest-4-ene-3,22-dione, 26-O-?-D-Glucopyranoside, 16-Ac C35H54O10 634.371697 NA MeJP NA NA +MJ087499 21,24-Epoxy-1,7,23,24,25-pentahydroxy-3,4-secoapotirucalla-4(28),14-dien-3-oic acid, 1,7-Di-Ac, Me ester C35H54O10 634.371697 NA MeJP NA NA +MJ087500 3,11,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3-Methylbutanoyl), 11-Ac, 3-O-(2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside) C35H54O10 634.371697 NA MeJP NA NA +MJ087501 3,11,24,25-Tetrahydroxycycloart-7-ene-16,23-dione, 3-O-?-D-Xylopyranoside C35H54O10 634.371697 NA MeJP NA NA +MJ087502 3,14-Dihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C35H54O10 634.371697 NA MeJP NA NA +MJ087503 3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Xylopyranoside C35H54O10 634.371697 NA MeJP NA NA +MJ087504 Pregn-5-ene-3,12,14,17,20-pentol, 12-Tigloyl, 20-Ac, 3-O-?-D-cymaropyranoside C35H54O10 634.371697 NA MeJP NA NA +PJ010828 ALLRY C30H50N8O7 634.3803 NA PeJP NA NA +PJ010829 TKKKM C27H54N8O7S 634.3836 NA PeJP NA NA +MJ087505 2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-O-(4-Hydroxy-E-cinnamoyl) C39H54O7 634.386954 NA MeJP NA NA +MJ087506 2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-O-(4-Hydroxy-Z-cinnamoyl) C39H54O7 634.386954 NA MeJP NA NA +MJ087507 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 23-O-(4-Hydroxycinnamoyl)(E-) C39H54O7 634.386954 NA MeJP NA NA +MJ087508 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-(4-Hydroxycinnamoyl)(E-) C39H54O7 634.386954 NA MeJP NA NA +MJ087509 2,3,23-Trihydroxy-12-ursen-28-oic acid, 3-(4-Hydroxycinnamoyl)(E-) C39H54O7 634.386954 NA MeJP NA NA +MJ087510 2,3,24-Trihydroxy-12-oleanen-28-oic acid, 3-(4-Hydroxycinnamoyl) C39H54O7 634.386954 NA MeJP NA NA +MJ087511 2,3,24-Trihydroxy-12-ursen-28-oic acid, 24-(p-Hydroxycinnamoyl) C39H54O7 634.386954 NA MeJP NA NA +MJ087512 2,3-Dihydroxy-12-ursen-28-oic acid, 3-(3,4-Dihydroxycinnamoyl)(E-) C39H54O7 634.386954 NA MeJP NA NA +MJ087513 2,3-Dihydroxy-12-ursen-28-oic acid, 3-(3,4-Dihydroxycinnamoyl)(Z-) C39H54O7 634.386954 NA MeJP NA NA +MJ087514 20(29)-Lupene-2,3,28-triol, 28-Carboxylic acid, 3-(3,4-dihydroxycinnamoyl) C39H54O7 634.386954 NA MeJP NA NA +MJ087515 20(29)-Lupene-3,23,28-triol, 28-Carboxylic acid, 3-(3,4-dihydroxy-E-cinnamoyl) C39H54O7 634.386954 NA MeJP NA NA +MJ087516 3,19,23-Trihydroxy-12-ursen-28-oic acid, 3-O-(4-Hydroxy-E-cinnamoyl) C39H54O7 634.386954 NA MeJP NA NA +MJ087517 3,21,24,30-Tetrahydroxy-14-serraten-16-one, 30-(4-Hydroxycinnamoyl) C39H54O7 634.386954 NA MeJP NA NA +MJ087518 3,23-Dihydroxy-12-oleanen-28-oic acid, 23-O-(3,4-Dihydroxy-E-cinnamoyl) C39H54O7 634.386954 NA MeJP NA NA +MJ087519 3,23-Dihydroxy-12-oleanen-28-oic acid, 3-O-(3,4-Dihydroxy-E-cinnamoyl) C39H54O7 634.386954 NA MeJP NA NA +MJ087520 3,27-Dihydroxy-12-oleanen-28-oic acid, 27-(3,4-Dihydroxycinnamoyl)(E-) C39H54O7 634.386954 NA MeJP NA NA +MJ087521 3,28-Dihydroxy-20(29)-lupen-27-oic acid, 28-(3,4-Dihydroxycinnamoyl)(E-) C39H54O7 634.386954 NA MeJP NA NA +MJ087522 3,30-Dihydroxy-12-oleanen-28-oic acid, 30-O-(3,4-Dihydroxycinnamoyl) C39H54O7 634.386954 NA MeJP NA NA +MJ087523 Glabretal; 3-Benzoyl C39H54O7 634.386954 NA MeJP NA NA +MJ087524 Capuvosine C40H50N4O3 634.388291 NA MeJP NA NA +PJ010830 GKKFR C29H50N10O6 634.3915 NA PeJP NA NA +MJ087525 Flexirubin C43H54O4 634.40221 NA MeJP NA NA +PJ010831 VLLKY C32H54N6O7 634.4054 NA PeJP NA NA +MJ087526 1,3,23-Trihydroxy-12-oleanen-29-oic acid, 23-O-?-L-Rhamnopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087527 1,3-Dihydroxycycloart-24-en-28-oic acid, 3-O-?-D-Glucopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087528 12-Oleanene-3,16,28-triol, 3-O-?-D-Glucuronopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087529 12-Oleanene-3,22,24-triol, 3-O-?-D-Glucuronopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087530 13,28-Epoxy-11-oleanene-3,16,21,23-tetrol, 3-O-?-D-Fucopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087531 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-?-D-Galactopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087532 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-?-D-Glucopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087533 17,22,24-Trihydroxy-28-hopanoic acid; 17?-form, 28?22-Lactone, 24-O-?-D-glucopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087534 2,3,19-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-L-Rhamnopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087535 2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-O-(6-Deoxy-?-D-glucopyranoside) C36H58O9 634.408083 NA MeJP NA NA +MJ087536 2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-O-?-D-Fucopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087537 2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-O-?-L-Rhamnopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087538 2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Galactopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087539 2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087540 2,3-Dihydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O9 634.408083 NA MeJP NA NA +MJ087541 3,16-Dihydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O9 634.408083 NA MeJP NA NA +MJ087542 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087543 3,19-Dihydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O9 634.408083 NA MeJP NA NA +MJ087544 3,19-Dihydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O9 634.408083 NA MeJP NA NA +MJ087545 3,20,26-Trihydroxycucurbita-5,24-dien-11-one, 3-O-?-D-Glucopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087546 3,21-Dihydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O9 634.408083 NA MeJP NA NA +MJ087547 3,7,23-Trihydroxycucurbita-5,24-dien-19-al, 23-O-?-D-Glucopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087548 3,7,25-Trihydroxycucurbita-5,23-dien-19-al, 7-O-?-D-Glucopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087549 3,7-Dihydroxylanosta-8,24-dien-21-oic acid, 7-O-?-D-Glucopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087550 Cimigenol; 25-Me ether, 3-O-xyloside C36H58O9 634.408083 NA MeJP NA NA +MJ087551 Hederagenin 3-glycosides; Monoglycosides, 3-O-?-D-Glucopyranoside C36H58O9 634.408083 NA MeJP NA NA +MJ087552 Eldacimibe C39H58N2O5 634.434572 NA MeJP NA NA +HMDB07346 DG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C41H62O5 634.459717 NA HMDB2010 NA NA +HMDB07570 DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C41H62O5 634.459717 NA HMDB2010 NA NA +MJ087553 Fritillebinide C C42H66O4 634.49611 NA MeJP NA NA +HMDB07088 DG(15:0/22:2(13Z,16Z)/0:0) C40H74O5 634.55365 NA HMDB2010 NA NA +HMDB07648 DG(22:2(13Z,16Z)/15:0/0:0) C40H74O5 634.55365 NA HMDB2010 NA NA +MJ087554 Ergosta-5,7,22-trien-3-ol, Hexadecanoyl C44H74O2 634.568881 NA MeJP NA NA +MJ087555 N,N,N-Trimethyl-2,3-bis(9-octadecenyloxy)-1-propanaminium(1+) C42H84NO2 634.650205 NA MeJP NA NA +MJ087556 22-Methyl-22-tritetracontanol C44H90O 634.699167 NA MeJP NA NA +EUR440 Methylcobalamine (degrade en cobalamine) F5 F5 634.765575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR440 Methylcobalamine (degrade en cobalamine) F5 NA 634.765575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR440 Methylcobalamine (degrade en cobalamine) F5 F5 634.765575 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR440 Methylcobalamine (degrade en cobalamine) F5 NA 634.765575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR440 Methylcobalamine (degrade en cobalamine) F5 F5 634.765575 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR440 Methylcobalamine (degrade en cobalamine) F5 NA 634.765575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR440 Methylcobalamine (degrade en cobalamine) F5 F5 634.765575 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR440 Méthylcobalamine (dégradé en cobalamine) F5 F5 634.765575 standards wishlist analysés sur QTOF HMDB NA NA +EUR440 Methylcobalamine (degrade en cobalamine) F5 F5 634.765575 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR440 Methylcobalamine (degrade en cobalamine) F5 NA 634.765575 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR440 Methylcobalamine (degrade en cobalamine) F5 F5 634.765575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR440 Methylcobalamine (degrade en cobalamine) F5 F5 634.765575 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ087557 Araplysillin I; 14-Debromo C21H24Br3N3O5 634.926608 NA MeJP NA NA +C11278 Aflatoxin B1exo-8,9-epoxide-GSH C27H29N3O13S 635.1421 NA KEGG NA NA +PJ010832 GCCCNH C21H33N9O8S3 635.1615 NA PeJP NA NA +C13540 Perphenazine maleate C21H26ClN3OS 635.1704 NA KEGG NA NA +C13541 Transferred to D02038 C21H26ClN3OS 635.1704 NA KEGG NA NA +PJ010833 CDMMH C23H37N7O8S3 635.1866 NA PeJP NA NA +PJ010834 DDEEE C23H33N5O16 635.1923 NA PeJP NA NA +PJ010835 GCNNND C21H33N9O12S 635.197 NA PeJP NA NA +PJ010836 CDDHF C26H33N7O10S 635.201 NA PeJP NA NA +PJ010837 GSNDDE C22H33N7O15 635.2035 NA PeJP NA NA +PJ010838 GPCNDM C23H37N7O10S2 635.2044 NA PeJP NA NA +PJ010839 CCHHH C24H33N11O6S2 635.2057 NA PeJP NA NA +PJ010840 GCMYY C28H37N5O8S2 635.2084 NA PeJP NA NA +PJ010841 SNDDW C26H33N7O12 635.2187 NA PeJP NA NA +PJ010842 GGSDDW C26H33N7O12 635.2188 NA PeJP NA NA +PJ010843 PCCQW C27H37N7O7S2 635.2196 NA PeJP NA NA +PJ010844 NNEEM C23H37N7O12S 635.2221 NA PeJP NA NA +PJ010845 SMMMH C24H41N7O7S3 635.223 NA PeJP NA NA +PJ010846 STCYY C28H37N5O10S 635.2261 NA PeJP NA NA +PJ010847 TEEEE C24H37N5O15 635.2286 NA PeJP NA NA +PJ010848 PEEMM C25H41N5O10S2 635.2295 NA PeJP NA NA +MJ087558 Meglucycline C29H37N3O13 635.232638 NA MeJP NA NA +PJ010849 GSNNNM C22H37N9O11S 635.2333 NA PeJP NA NA +PJ010850 CNDER C22H37N9O11S 635.2334 NA PeJP NA NA +MJ087559 Barbaline C34H37NO11 635.236661 NA MeJP NA NA +PJ010851 GNEMW C27H37N7O9S 635.2374 NA PeJP NA NA +PJ010852 GSSQEE C23H37N7O14 635.2399 NA PeJP NA NA +PJ010853 GSPNMM C24H41N7O9S2 635.2407 NA PeJP NA NA +PJ010854 GGAPTCM C24H41N7O9S2 635.2408 NA PeJP NA NA +PJ010855 NNDHH C24H33N11O10 635.2412 NA PeJP NA NA +PJ010856 GCFFY C32H37N5O7S 635.2414 NA PeJP NA NA +PJ010857 PDEEF C28H37N5O12 635.2439 NA PeJP NA NA +PJ010858 VEEEM C25H41N5O12S 635.2473 NA PeJP NA NA +PJ010859 GCDRW C26H37N9O8S 635.2486 NA PeJP NA NA +PJ010860 GSSDDR C22H37N9O13 635.2511 NA PeJP NA NA +PJ010861 GPTCCR C23H41N9O8S2 635.252 NA PeJP NA NA +PJ010862 NMWW C31H37N7O6S 635.2526 NA PeJP NA NA +PJ010863 SSQEW C27H37N7O11 635.2551 NA PeJP NA NA +PJ010864 PCCKW C28H41N7O6S2 635.256 NA PeJP NA NA +PJ010865 NDKEM C24H41N7O11S 635.2585 NA PeJP NA NA +PJ010866 QYYY C32H37N5O9 635.2591 NA PeJP NA NA +C15620 GW 6471 C35H36F3N3O5 635.2607 NA KEGG NA NA +PJ010867 PPEMY C29H41N5O9S 635.2625 NA PeJP NA NA +PJ010868 NNNQF C26H37N9O10 635.2664 NA PeJP NA NA +PJ010869 SNEMR C23H41N9O10S 635.2697 NA PeJP NA NA +PJ010870 GGGGGTCK C23H41N9O10S 635.2698 NA PeJP NA NA +PJ010871 GSTWW C31H37N7O8 635.2704 NA PeJP NA NA +MJ087560 Himbosine C35H41NO10 635.273046 NA MeJP NA NA +MJ087561 Rifamycin Z; 8-Deoxy C35H41NO10 635.273046 NA MeJP NA NA +PJ010872 ATQMW C28H41N7O8S 635.2737 NA PeJP NA NA +PJ010873 GDKMW C28H41N7O8S 635.2738 NA PeJP NA NA +PJ010874 ASTTQE C24H41N7O13 635.2762 NA PeJP NA NA +PJ010875 GSSKEE C24H41N7O13 635.2763 NA PeJP NA NA +PJ010876 VQQMM C25H45N7O8S2 635.2771 NA PeJP NA NA +PJ010877 SQQHH C25H37N11O9 635.2776 NA PeJP NA NA +PJ010878 PVEEY C29H41N5O11 635.2803 NA PeJP NA NA +PJ010879 SCDRR C22H41N11O9S 635.281 NA PeJP NA NA +7694 ACE inhibitor from wakame YKYY 635.283 antioxidative Inhouse_peptide NA peptide +MJ087562 Anthraserpine; 4',5'-Dimethoxy C34H41N3O9 635.284279 NA MeJP NA NA +PJ010880 GSMRW C27H41N9O7S 635.285 NA PeJP NA NA +PJ010881 HFFW C35H37N7O5 635.2856 NA PeJP NA NA +PJ010882 GSSTER C23H41N9O12 635.2875 NA PeJP NA NA +PJ010883 AQMMR C24H45N9O7S2 635.2884 NA PeJP NA NA +PJ010884 SSKEW C28H41N7O10 635.2915 NA PeJP NA NA +PJ010885 TQKEM C25H45N7O10S 635.2949 NA PeJP NA NA +PJ010886 KYYY C33H41N5O8 635.2955 NA PeJP NA NA +PJ010887 PLEMF C30H45N5O8S 635.2989 NA PeJP NA NA +PJ010888 ACMRR C23H45N11O6S2 635.2996 NA PeJP NA NA +2712 erythromycin inhibitor MKLNM 635.3017 NA Inhouse_peptide NA peptide +PJ010889 LLEMM C27H49N5O8S2 635.3023 NA PeJP NA NA +PJ010890 SSTRW C27H41N9O9 635.3027 NA PeJP NA NA +PJ010891 GGSPRY C27H41N9O9 635.3028 NA PeJP NA NA +PJ010892 SDKMR C24H45N9O9S 635.3061 NA PeJP NA NA +PJ010893 GVQFW C32H41N7O7 635.3068 NA PeJP NA NA +PJ010894 ATKMW C29H45N7O7S 635.3101 NA PeJP NA NA +MJ087563 Glycylalanylprolylmethionylphenylalanylvalinamide; 2-L-Serine analogue C29H45N7O7S 635.310117 NA MeJP NA NA +PJ010895 GGPKMF C29H45N7O7S 635.3102 NA PeJP NA NA +PJ010896 GTTTKE C25H45N7O12 635.3126 NA PeJP NA NA +PJ010897 VQKMM C26H49N7O7S2 635.3135 NA PeJP NA NA +PJ010898 SQKHH C26H41N11O8 635.314 NA PeJP NA NA +PJ010899 VLEEF C30H45N5O10 635.3167 NA PeJP NA NA +PJ010900 SSMRR C23H45N11O8S 635.3173 NA PeJP NA NA +PJ010901 QFRW C31H41N9O6 635.318 NA PeJP NA NA +PJ010902 VLMHH C28H45N9O6S 635.3214 NA PeJP NA NA +PJ010903 SSSSLR C24H45N9O11 635.3239 NA PeJP NA NA +PJ010904 AKMMR C25H49N9O6S2 635.3247 NA PeJP NA NA +PJ010905 VCKMR C25H49N9O6S2 635.3248 NA PeJP NA NA +PJ010906 TTTKW C29H45N7O9 635.3279 NA PeJP NA NA +PJ010907 TKKEM C26H49N7O9S 635.3313 NA PeJP NA NA +PJ010908 PPLFY C34H45N5O7 635.3319 NA PeJP NA NA +PJ010909 PLLMY C31H49N5O7S 635.3353 NA PeJP NA NA +PJ010910 GLQRY C28H45N9O8 635.3391 NA PeJP NA NA +PJ010911 TTKMR C25H49N9O8S 635.3425 NA PeJP NA NA +MJ087564 Glycylalanylprolylmethionylphenylalanylvalinamide; 4-L-Phenylalanine analogue C33H45N7O6 635.343132 NA MeJP NA NA +PJ010912 GVKFW C33H45N7O6 635.3432 NA PeJP NA NA +PJ010913 SSTTLK C26H49N7O11 635.349 NA PeJP NA NA +PJ010914 VKKMM C27H53N7O6S2 635.3499 NA PeJP NA NA +PJ010915 AARRY C27H45N11O7 635.3504 NA PeJP NA NA +PJ010916 VLLEY C31H49N5O9 635.353 NA PeJP NA NA +PJ010917 KFRW C32H45N9O5 635.3544 NA PeJP NA NA +PJ010918 APHRR C26H45N13O6 635.3616 NA PeJP NA NA +PJ010919 PTKKY C30H49N7O8 635.3643 NA PeJP NA NA +MJ087565 Germine; O15-(R)-2-Methylbutanoyl, O3-Ac C34H53NO10 635.366946 NA MeJP NA NA +MJ087566 Germine; O15-(R)-2-Methylbutanoyl, O7-Ac C34H53NO10 635.366946 NA MeJP NA NA +PJ010920 PLLFF C35H49N5O6 635.3683 NA PeJP NA NA +PJ010921 LLLMF C32H53N5O6S 635.3717 NA PeJP NA NA +PJ010922 GLKRY C29H49N9O7 635.3755 NA PeJP NA NA +PJ010923 PVKHR C28H49N11O6 635.3868 NA PeJP NA NA +PJ010924 VVKKY C31H53N7O7 635.4007 NA PeJP NA NA +EUR783 Lyso PC 22:2 [M-H+acetate]- C30H58NO7P 635.416192 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR783 Lyso PC 22:2 [M-H+acetate]- C30H58NO7P 635.416192 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR783 Lyso PC 22:2 [M-H+acetate]- C30H58NO7P 635.416192 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR783 Lyso PC 22:2 [M-H+acetate]- C30H58NO7P 635.416192 masses lipides attendues Inhousejuil11 NA NA +EUR540 14 :0 PE F1 NA 635.449025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR540 14 :0 PE F1 NA 635.449025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR540 14 :0 PE F1 NA 635.449025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR540 14 :0 PE F1 NA 635.449025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR540 14 :0 PE F1 NA 635.449025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR540 14 :0 PE F1 NA 635.449025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR540 14 :0 PE F1 NA 635.449025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR540 14 :0 PE F1 NA 635.449025 standards wishlist analysés sur QTOF HMDB NA NA +EUR540 14 :0 PE F1 NA 635.449025 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR540 14 :0 PE F1 NA 635.449025 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR540 14 :0 PE F1 NA 635.449025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR540 14 :0 PE F1 NA 635.449025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB08821 PE(14:0/14:0) C33H66NO8P 635.452576 NA HMDB2010 NA NA +HMDB05313 Dimyristoylphosphatidylethanolamine C33H66NO8P 635.45258 http://www.hmdb.ca/metabolites/HMDB05313 HMDB NA NA +HMDB05313 Dimyristoylphosphatidylethanolamine C33H66NO8P 635.45258 HMDB05313 PFEM_hmdb_metabocards_official NA NA +MJ087567 Antibiotic MS 282; Antibiotic MS 282A C37H65NO7 635.476103 NA MeJP NA NA +MJ087568 Antibiotic MS 282; Antibiotic MS 282B C37H65NO7 635.476103 NA MeJP NA NA +MJ087569 Pamamycin; Pamamycin 635A C37H65NO7 635.476103 NA MeJP NA NA +MJ087570 Pamamycin; Pamamycin 635B C37H65NO7 635.476103 NA MeJP NA NA +MJ087571 Pamamycin; Pamamycin 635C C37H65NO7 635.476103 NA MeJP NA NA +MJ087572 Pamamycin; Pamamycin 635D C37H65NO7 635.476103 NA MeJP NA NA +MJ087573 Pamamycin; Pamamycin 635E C37H65NO7 635.476103 NA MeJP NA NA +MJ087574 Pamamycin; Pamamycin 635F C37H65NO7 635.476103 NA MeJP NA NA +HMDB00950 Cer(d18:1/23:0) C41H81NO3 635.621643 NA HMDB2010 NA NA +MJ087575 2-Amino-16-methyl-4-heptadecene-1,3-diol, N-(21-Methyldocosanoyl) C41H81NO3 635.621645 NA MeJP NA NA +MJ087576 2-Amino-16-methyl-4-octadecene-1,3-diol, N-Docosanoyl C41H81NO3 635.621645 NA MeJP NA NA +MJ087577 2-Amino-4-octadecene-1,3-diol, N-Tricosanoyl C41H81NO3 635.621645 NA MeJP NA NA +MJ087578 4,4',6,6'-Tetrabromo-2,2'-bis(methylthio)-3,3'-bi-1H-indole C18H12Br4N2S2 635.71754 NA MeJP NA NA +MJ087579 Thyropropic acid C15H11I3O4 635.779139 NA MeJP NA NA +8205 peptide from Cornu Bubali (Bubalus Bubalis horn) AADNANELFPPN 635.7823 MH2+ Inhouse_peptide NA peptide +FL3FFAGSS005 Isoscutellarein 4'-methyl ether 8-(2'',4''-disulfatoglucuronide);5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranosiduronic acid 2,4-bis(hydrogen sulfate) C22H20O18S2 636.0091 351223-99-9 knapsack NA NA +MJ087580 5,7,8-Trihydroxy-4'-methoxyflavone; 8-O-(2,4-Di-O-sulfo-?-D-glucuronopyranoside) C22H20O18S2 636.009105 NA MeJP NA NA +MJ087581 Hydroxyphenylmercury; Borate C12H13BHg2O4 636.03194 NA MeJP NA NA +PJ010925 CCCCCC C18H32N6O7S6 636.0657 NA PeJP NA NA +MJ087582 Diphlorethohydroxycarmalol; 4'-(3,5-Dihydroxyphenoxy) C30H20O16 636.075134 NA MeJP NA NA +MJ087583 1,2,3-Trigalloylglucose; ?-D-Pyranose-form C27H24O18 636.096263 NA MeJP NA NA +MJ087584 1,2,3-Trigalloylglucose; ?-D-Pyranose-form C27H24O18 636.096263 NA MeJP NA NA +MJ087585 1,2,4-Trigalloylglucose; ?-D-Pyranose-form C27H24O18 636.096263 NA MeJP NA NA +MJ087586 1,2,4-Trigalloylglucose; ?-D-Pyranose-form C27H24O18 636.096263 NA MeJP NA NA +MJ087587 1,2,6-Trigalloylglucose; ?-D-Pyranose-form C27H24O18 636.096263 NA MeJP NA NA +MJ087588 1,2,6-Trigalloylglucose; ?-D-Pyranose-form C27H24O18 636.096263 NA MeJP NA NA +MJ087589 1,3,4-Trigalloylglucose; ?-D-Pyranose-form C27H24O18 636.096263 NA MeJP NA NA +MJ087590 1,3,6-Trigalloylglucose; ?-D-Pyranose-form C27H24O18 636.096263 NA MeJP NA NA +MJ087591 1,4,6-Trigalloylglucose; ?-D-Pyranose-form C27H24O18 636.096263 NA MeJP NA NA +MJ087592 1,4,6-Trigalloylglucose; ?-D-Pyranose-form C27H24O18 636.096263 NA MeJP NA NA +MJ087593 2,4,6-Trigalloylglucose; D-Pyranose-form C27H24O18 636.096263 NA MeJP NA NA +MJ087594 2-C-Hydroxymethylribose; D-Furanose-form, 1,2',5-Tris(3,4,5-trihydroxybenzoyl) C27H24O18 636.096263 NA MeJP NA NA +MJ087595 2-C-Hydroxymethylribose; D-Furanose-form, 2',3,5-Tris(3,4,5-trihydroxybenzoyl) C27H24O18 636.096263 NA MeJP NA NA +MJ087596 2-C-Hydroxymethylribose; D-Furanose-form, 2,2',5-Tris(3,4,5-trihydroxybenzoyl) C27H24O18 636.096263 NA MeJP NA NA +MJ087597 2-C-Hydroxymethylribose; ?-D-Furanose-form, 2',3,5-Tris(3,4,5-trihydroxybenzoyl) C27H24O18 636.096263 NA MeJP NA NA +MJ087598 3,4,6-Trigalloylglucose; D-Pyranose-form C27H24O18 636.096263 NA MeJP NA NA +MJ087599 Allose; ?-D-Pyranose-form, 1,2,6-Tris-O-(3,4,5-trihydroxybenzoyl) C27H24O18 636.096263 NA MeJP NA NA +MJ087600 Allose; ?-D-Pyranose-form, 1,3,6-Tris-O-(3,4,5-trihydroxybenzoyl) C27H24O18 636.096263 NA MeJP NA NA +C04360 1-O,2-O,6-O-Trigalloyl-beta-D-glucose C27H24O18 636.0963 NA KEGG NA NA +C04361 1-O-Alkyl-2-acetyl-3-acyl-sn-glycerol C6H8O5R2 636.0963 NA KEGG NA NA +C04364 2-Hexadecenoyl-[acyl-carrier protein] C6H8O5R2 636.0963 NA KEGG NA NA +C04365 3'-Hydroxy-terminated oligonucleotide C10H17O8PR2 636.0963 NA KEGG NA NA +C17458 Gallotannin C27H24O18 636.0963 NA KEGG NA NA +FL3FABGS0007 Acacetin 7-glucuronosyl-(1->2)-glucuronide C28H28O17 636.13264 36730-68-4 knapsack NA NA +MJ087601 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C28H28O17 636.132649 NA MeJP NA NA +MJ087602 Betanidin; 15-Epimer, 5-O-(6-O-malonyl-?-D-glucopyranoside) C27H28N2O16 636.143882 NA MeJP NA NA +MJ087603 Betanidin; 5-O-(6-O-Malonyl-?-D-glucopyranoside) C27H28N2O16 636.143882 NA MeJP NA NA +PJ010926 GCCCDH C21H32N8O9S3 636.1455 NA PeJP NA NA +FL5FAAGL0071 Kaempferol 3-(4''-acetyl-6''-p-coumarylglucoside) C32H28O14 636.1479 115651-95-1 knapsack NA NA +FL5FAAGS0110 Kaempferol 3-(2''-(E)-p-coumaroyl-6''-acetylglucoside);Dentatiflavonoid;3-[[6-O-Acetyl-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C32H28O14 636.1479 351491-18-4 knapsack NA NA +FL5FAAGS0111 Kaempferol 3-(3''-acetyl-6''-p-coumaroylglucoside);3-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C32H28O14 636.1479 557765-92-1 knapsack NA NA +MJ087604 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan-4-acetic acid C32H28O14 636.147905 NA MeJP NA NA +MJ087605 Astragalin; 6''-O-(4-Hydroxycinnamoyl), mono-Ac C32H28O14 636.147905 NA MeJP NA NA +MJ087606 Astragalin; 6''-O-4-Hydroxycinnamoyl, 4''-Ac C32H28O14 636.147905 NA MeJP NA NA +FL3FAAGS0050 Apigenin 7-(6'''-acetylallosyl-(1->2)glucoside) C29H32O16 636.16903 135626-72-1 knapsack NA NA +FL3FAAGS0053 Apigenin 7-(6''-acetylalloside)-4'-alloside C29H32O16 636.16903 95690-52-1 knapsack NA NA +FL3FADDS0004 8-C-beta-D-Xylopyranosylchrysoeriol 4'-O-acetyl 2''-O-glucoside C29H32O16 636.16903 381734-32-3 knapsack NA NA +FL3FAEGS0013 Diosmetin 7-Apiosyl-(1->2)-(6''-acetylglucoside);7-[(6-O-Acetyl-2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one C29H32O16 636.16903 244173-89-5 knapsack NA NA +FL5FAAGA0036 Kaempferol 3-(6''-acetylgalactoside)-7-rhamnoside C29H32O16 636.16903 124097-45-6 knapsack NA NA +FL5FAAGL0088 Kaempferol 3-(6''-acetylglucoside)-7-rhamnoside C29H32O16 636.16903 66465-24-5 knapsack NA NA +FL5FAAGS0063 Multiflorin A C29H32O16 636.16903 61358-52-9 knapsack NA NA +FL5FACGS0057 Quercetin 3-(4''-acetylrhamnoside)-7-rhamnoside C29H32O16 636.16903 104594-65-2 knapsack NA NA +FL5FCDGL0004 Rhamnazin 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside] C29H32O16 636.16903 119725-29-0 knapsack NA NA +FLIA2CGS0002 Fujikinetin 7-O-laminaribioside C29H32O16 636.16903 68862-14-6 knapsack NA NA +MJ087607 3',4',6,7-Tetrahydroxyisoflavone; 3',4'-Methylene, 6-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] C29H32O16 636.169034 NA MeJP NA NA +MJ087608 3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-D-Apiofuranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] C29H32O16 636.169034 NA MeJP NA NA +MJ087609 3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-[4R-Carboxy-3-hydroxy-3-methylbutanoyl-(?3)-?-D-glucopyranoside] C29H32O16 636.169034 NA MeJP NA NA +MJ087610 4',5,7-Trihydroxyflavone; 7-O-(6-O-Acetyl-?-D-allopyranoside), 4'-O-?-D-allopyranoside C29H32O16 636.169034 NA MeJP NA NA +MJ087611 4',5-Dihydroxy-6,7-methylenedioxyisoflavone; 5-Me ether, 4'-O-[?-D-glucopyranosyl-(1??)-?-D-glucopyranoside] C29H32O16 636.169034 NA MeJP NA NA +MJ087612 Afzelin; 4''-O-?-D-Glucopyranosyl, 2'' or 3''-O-Ac C29H32O16 636.169034 NA MeJP NA NA +MJ087613 Cosmosiin; 2''-O-(6-O-Acetyl-?-D-allopyranosyl) C29H32O16 636.169034 NA MeJP NA NA +MJ087614 Quercitrin; 4''-Ac, 7-O-?-L-rhamnopyranoside C29H32O16 636.169034 NA MeJP NA NA +MJ087615 Vicenin 2; Mono-Ac C29H32O16 636.169034 NA MeJP NA NA +MJ087616 ?-Rhamnoisorobin; 3-O-(6-O-Acetyl-?-D-galactopyranoside) C29H32O16 636.169034 NA MeJP NA NA +MJ087617 ?-Rhamnoisorobin; 3-O-(6-O-Acetyl-?-D-glucopyranoside) C29H32O16 636.169034 NA MeJP NA NA +MJ087618 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(6-O-Acetyl-?-D-glucopyranoside), 5-O-?-D-glucopyranoside C29H33O16(+) 636.169035 NA MeJP NA NA +MJ087619 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-acetyl-?-D-glucopyranoside) C29H33O16(+) 636.169035 NA MeJP NA NA +MJ087620 Keracyanin; 2'''-Ac C29H33O16(+) 636.169035 NA MeJP NA NA +PJ010927 PPCCCD C23H36N6O9S3 636.1706 NA PeJP NA NA +PJ010928 GCNNDD C21H32N8O13S 636.181 NA PeJP NA NA +PJ010929 ATCCCH C22H36N8O8S3 636.1818 NA PeJP NA NA +PJ010930 GSCCMH C22H36N8O8S3 636.1819 NA PeJP NA NA +PJ010931 GSDDDE C22H32N6O16 636.1875 NA PeJP NA NA +PJ010932 GPCDDM C23H36N6O11S2 636.1884 NA PeJP NA NA +PJ010933 SSTCCH C22H36N8O10S2 636.1996 NA PeJP NA NA +PJ010934 SDDDW C26H32N6O13 636.2028 NA PeJP NA NA +PJ010935 PCCEW C27H36N6O8S2 636.2036 NA PeJP NA NA +MJ087621 1,2,3,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-Ketone, 1-(3-furoyl), 2,3,6,9,14-penta-Ac C30H36O15 636.20542 NA MeJP NA NA +MJ087622 7-Hydroxy-3',4',5-trimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C30H36O15 636.20542 NA MeJP NA NA +MJ087623 Isoorientin; 2''-O-?-L-Rhamnopyranosyl, 3',4',7-tri-Me ether C30H36O15 636.20542 NA MeJP NA NA +MJ087624 Puerol A; 4''-Me ether, 2'',4'-di-O-?-D-glucopyranoside C30H36O15 636.20542 NA MeJP NA NA +FL3FCFCS0002 Linoside B C30H36O15 636.20542 38890-93-6 knapsack NA NA +FL3FCKGS0003 Tricetin 7,3',4',5'-trimethyl eter 5-xylosyl-(1->2)-rhamnoside;5-[(6-Deoxy-2-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy]-7-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one C30H36O15 636.20542 410532-07-9 knapsack NA NA +PJ010936 NDEEM C23H36N6O13S 636.2061 NA PeJP NA NA +PJ010937 SPPCCM C24H40N6O8S3 636.207 NA PeJP NA NA +MJ087625 ?-D-Galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?3)-L-arabinose C23H40O20 636.211293 NA MeJP NA NA +MJ087626 Cyclamotetraose C23H40O20 636.211293 NA MeJP NA NA +MJ087627 Lycotetraose C23H40O20 636.211293 NA MeJP NA NA +PJ010938 CCQHF C26H36N8O7S2 636.2149 NA PeJP NA NA +PJ010939 CDDER C22H36N8O12S 636.2174 NA PeJP NA NA +PJ010940 GDEMW C27H36N6O10S 636.2214 NA PeJP NA NA +PJ010941 GSSEEE C23H36N6O15 636.2239 NA PeJP NA NA +PJ010942 GSPDMM C24H40N6O10S2 636.2248 NA PeJP NA NA +PJ010943 NDDHH C24H32N10O11 636.2252 NA PeJP NA NA +MJ087628 2,3-Dihydroxy-2-(2-methylpropyl)butanedioic acid, 2-O-?-D-Glucopyranoside, 1-(4-?-D-glucopyranosyloxybenzyl) ester C27H40O17 636.226549 NA MeJP NA NA +PJ010944 SCNQW C26H36N8O9S 636.2326 NA PeJP NA NA +PJ010945 SSSNNE C22H36N8O14 636.2351 NA PeJP NA NA +PJ010946 NNQMM C23H40N8O9S2 636.236 NA PeJP NA NA +PJ010947 DMWW C31H36N6O7S 636.2366 NA PeJP NA NA +PJ010948 SSEEW C27H36N6O12 636.2391 NA PeJP NA NA +PJ010949 GGPDEY C27H36N6O12 636.2392 NA PeJP NA NA +PJ010950 PTCMW C28H40N6O7S2 636.24 NA PeJP NA NA +MJ087629 8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 16-acetoxy, 2-propanoyl, 4,9,14-tri-Ac C31H40O14 636.241805 NA MeJP NA NA +PJ010951 TQEEM C24H40N6O12S 636.2425 NA PeJP NA NA +MJ087630 Agrobactin C32H36N4O10 636.243143 NA MeJP NA NA +PJ010952 EYYY C32H36N4O10 636.2432 NA PeJP NA NA +PJ010953 PQMMM C25H44N6O7S3 636.2434 NA PeJP NA NA +PJ010954 GSPCHH C25H36N10O8S 636.2439 NA PeJP NA NA +MJ087631 Maytansinol; 15R-Hydroxy, 3-O-propanoyl C31H41ClN2O10 636.244973 NA MeJP NA NA +MJ087632 Maytansinol; 30-Hydroxy, 3-O-propanoyl C31H41ClN2O10 636.244973 NA MeJP NA NA +MJ087633 Secocepharanthine C37H36N2O8 636.247166 NA MeJP NA NA +PJ010955 CNNMR C22H40N10O8S2 636.2472 NA PeJP NA NA +PJ010956 GSSSNW C26H36N8O11 636.2504 NA PeJP NA NA +PJ010957 CCKHF C27H40N8O6S2 636.2512 NA PeJP NA NA +PJ010958 SDEMR C23H40N8O11S 636.2537 NA PeJP NA NA +PJ010959 TDDMR C23H40N8O11S 636.2538 NA PeJP NA NA +PJ010960 GPDYW C31H36N6O9 636.2544 NA PeJP NA NA +PJ010961 PCMMR C24H44N8O6S3 636.2546 NA PeJP NA NA +MJ087634 1,2,3,4,6,9-Hexahydroxydihydro-?-agarofuran, 1-Benzoyl, 9-cinnamoyl, 2,6-di-Ac C35H40O11 636.257062 NA MeJP NA NA +MJ087635 1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 2,9-Dibenzoyl, 1,6,14-tri-Ac C35H40O11 636.257062 NA MeJP NA NA +MJ087636 1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 9,14-Dibenzoyl, 1,2,6-tri-Ac C35H40O11 636.257062 NA MeJP NA NA +MJ087637 Kadsurarin; 7,7'-Bisdeacyl, O7-(2-methylbutanoyl), O7'-benzoyl C35H40O11 636.257062 NA MeJP NA NA +PJ010962 ATEMW C28H40N6O9S 636.2578 NA PeJP NA NA +PJ010963 GTTTEE C24H40N6O14 636.2603 NA PeJP NA NA +PJ010964 VQEMM C25H44N6O9S2 636.2611 NA PeJP NA NA +PJ010965 GGLEMM C25H44N6O9S2 636.2612 NA PeJP NA NA +PJ010966 SQEHH C25H36N10O10 636.2616 NA PeJP NA NA +PJ010967 GSSCQR C22H40N10O10S 636.265 NA PeJP NA NA +PJ010968 GNNFW C30H36N8O8 636.2656 NA PeJP NA NA +PJ010969 GGGGGFW C30H36N8O8 636.2657 NA PeJP NA NA +MJ087638 10,11-Dimethoxy-1-methyldeacetylpicraline; 3,4,5-Trimethoxybenzoyl C34H40N2O10 636.268295 NA MeJP NA NA +PJ010970 SCNKW C27H40N8O8S 636.269 NA PeJP NA NA +PJ010971 SSSNDK C23H40N8O13 636.2715 NA PeJP NA NA +PJ010972 AEMMR C24H44N8O8S2 636.2724 NA PeJP NA NA +PJ010973 GPMFW C32H40N6O6S 636.273 NA PeJP NA NA +PJ010974 TTTEW C28H40N6O11 636.2755 NA PeJP NA NA +PJ010975 GLMMW C29H44N6O6S2 636.2764 NA PeJP NA NA +PJ010976 GTHHW C29H36N10O7 636.2769 NA PeJP NA NA +MJ087639 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 1,2-dibutanoyl, 6,14-di-Ac C32H44O13 636.278191 NA MeJP NA NA +MJ087640 3,6,8,12,14-Pentahydroxybufa-4,20,22-trienolide, 3-O-?-D-Glucopyranoside, 6-Ac C32H44O13 636.278191 NA MeJP NA NA +MJ087641 4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 4?,20-Epoxide, hexa-Ac C32H44O13 636.278191 NA MeJP NA NA +MJ087642 4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 3,6,7,9,14,20-Hexa-Ac C32H44O13 636.278191 NA MeJP NA NA +MJ087643 5,20-Epoxy-11-taxene-2,4,7,9,10,13-hexol, 2,4,7,9,10,13-Hexa-Ac C32H44O13 636.278191 NA MeJP NA NA +MJ087644 8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 12-Butanoyl, 2,3,9,14-tetra-Ac C32H44O13 636.278191 NA MeJP NA NA +MJ087645 8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 3-Butanoyl, 2,9,12,14-tetra-Ac C32H44O13 636.278191 NA MeJP NA NA +MJ087646 Esulatin D C32H44O13 636.278191 NA MeJP NA NA +PJ010977 TKEEM C25H44N6O11S 636.2789 NA PeJP NA NA +PJ010978 PKMMM C26H48N6O6S3 636.2798 NA PeJP NA NA +PJ010979 VNMHH C26H40N10O7S 636.2802 NA PeJP NA NA +PJ010980 GGVMHH C26H40N10O7S 636.2803 NA PeJP NA NA +PJ010981 SSSSNR C22H40N10O12 636.2827 NA PeJP NA NA +MJ087647 Calafatimine C38H40N2O7 636.283551 NA MeJP NA NA +MJ087648 Insularoline; Me ether, 2'?-N-oxide C38H40N2O7 636.283551 NA MeJP NA NA +MJ087649 Insularoline; Me ether, 2?-N-oxide C38H40N2O7 636.283551 NA MeJP NA NA +MJ087650 Isotenuipine C38H40N2O7 636.283551 NA MeJP NA NA +MJ087651 Longiberine C38H40N2O7 636.283551 NA MeJP NA NA +MJ087652 Oxandrine; 12'-Me ether C38H40N2O7 636.283551 NA MeJP NA NA +MJ087653 Pseudoxandrine; 7-Me ether C38H40N2O7 636.283551 NA MeJP NA NA +MJ087654 Tenuipine C38H40N2O7 636.283551 NA MeJP NA NA +MJ087655 Thalsimidine; Me ether C38H40N2O7 636.283551 NA MeJP NA NA +C09369 Calafatimine C38H40N2O7 636.2836 NA KEGG NA NA +C09661 Thalsimine C38H40N2O7 636.2836 NA KEGG NA NA +PJ010982 CCQKR C23H44N10O7S2 636.2836 NA PeJP NA NA +MJ087656 Allosamidin; 3'-Epimer, 6''-Me ether C26H44N4O14 636.285402 NA MeJP NA NA +MJ087657 Allosamidin; 6''-Me ether C26H44N4O14 636.285402 NA MeJP NA NA +PJ010983 SQQQF C27H40N8O10 636.2867 NA PeJP NA NA +PJ010984 SPDRY C27H40N8O10 636.2868 NA PeJP NA NA +PJ010985 TTEMR C24H44N8O10S 636.2901 NA PeJP NA NA +PJ010986 APTYW C32H40N6O8 636.2908 NA PeJP NA NA +PJ010987 GMHHR C25H40N12O6S 636.2915 NA PeJP NA NA +MJ087658 1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 1,2-Dibenzoyl, 6-(2-methylbutanoyl), 9-Ac C36H44O10 636.293447 NA MeJP NA NA +MJ087659 1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 2-(2-methylbutanoyl), 1-Ac C36H44O10 636.293447 NA MeJP NA NA +PJ010988 STLMW C29H44N6O8S 636.2941 NA PeJP NA NA +PJ010989 GGPLMY C29H44N6O8S 636.2942 NA PeJP NA NA +PJ010990 SSTTLE C25H44N6O13 636.2966 NA PeJP NA NA +PJ010991 VTTTTD C25H44N6O13 636.2967 NA PeJP NA NA +PJ010992 VKEMM C26H48N6O8S2 636.2975 NA PeJP NA NA +2709 erythromycin inhibitor MSMRL 636.2978 NA Inhouse_peptide NA peptide +PJ010993 GNQRY C26H40N10O9 636.298 NA PeJP NA NA +MJ087660 Weinbersterol A; 2,3-Disulfate C30H52O10S2 636.300189 NA MeJP NA NA +MJ087661 Weinbersterol A; 20-Deoxy, 18-hydroxy, 2,3-disulfate C30H52O10S2 636.300189 NA MeJP NA NA +PJ010994 GSSCKR C23H44N10O9S 636.3014 NA PeJP NA NA +PJ010995 EFRW C31H40N8O7 636.302 NA PeJP NA NA +MJ087662 Reserpic acid; O-[3-(3,4,5-Trimethoxyphenyl)propanoyl], Me ester C35H44N2O9 636.304681 NA MeJP NA NA +PJ010996 APMRY C28H44N8O7S 636.3054 NA PeJP NA NA +2907 neuropeptide from eyestalk of Macrobrachium rosenb NYDKNFLRFG 636.30585 MH2+ Inhouse_peptide NA peptide +PJ010997 VFWW C36H40N6O5 636.306 NA PeJP NA NA +PJ010998 SSSTQK C24H44N8O12 636.3079 NA PeJP NA NA +PJ010999 SLMMR C25H48N8O7S2 636.3088 NA PeJP NA NA +PJ011000 STHHR C25H40N12O8 636.3092 NA PeJP NA NA +PJ011001 GGGGPHR C25H40N12O8 636.3093 NA PeJP NA NA +PJ011002 PTKEY C29H44N6O10 636.3119 NA PeJP NA NA +MJ087663 3,6,8,12,14-Pentahydroxybufa-20,22-dienolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside), 6-Ac C33H48O12 636.314577 NA MeJP NA NA +MJ087664 3,6,8,14,16-Pentahydroxybufa-20,22-dienolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside), 6-Ac C33H48O12 636.314577 NA MeJP NA NA +MJ087665 Premyrsinol; 5-(2-Methylpropanoyl), 3-propanoyl, 7,13,17-tri-Ac C33H48O12 636.314577 NA MeJP NA NA +PJ011003 SSSLLM C26H48N6O10S 636.3153 NA PeJP NA NA +PJ011004 PPMHR C27H44N10O6S 636.3166 NA PeJP NA NA +MJ087666 Antioquine, Di-Me ether C39H44N2O6 636.319937 NA MeJP NA NA +MJ087667 Cycleanorine; N2'N2'-Di-Me C39H45N2O6(+) 636.319937 NA MeJP NA NA +MJ087668 Isotetrandrine; N2'-Me C39H45N2O6(+) 636.319937 NA MeJP NA NA +MJ087669 Tetrandrine, N-Me C39H45N2O6(+) 636.319937 NA MeJP NA NA +MJ087670 Tetrandrine, N2-Me C39H45N2O6(+) 636.319937 NA MeJP NA NA +PJ011005 CCKKR C24H48N10O6S2 636.32 NA PeJP NA NA +PJ011006 GLERY C28H44N8O9 636.3231 NA PeJP NA NA +PJ011007 GAAQKY C28H44N8O9 636.3232 NA PeJP NA NA +PJ011008 GSSKKM C25H48N8O9S 636.3265 NA PeJP NA NA +MJ087671 Dichotomin D C33H44N6O7 636.327147 NA MeJP NA NA +PJ011009 GVLYW C33H44N6O7 636.3272 NA PeJP NA NA +PJ011010 PVKMY C30H48N6O7S 636.3305 NA PeJP NA NA +PJ011011 GGLLMF C30H48N6O7S 636.3306 NA PeJP NA NA +PJ011012 TTTTTL C26H48N6O12 636.333 NA PeJP NA NA +PJ011013 GNKRY C27H44N10O8 636.3344 NA PeJP NA NA +PJ011014 LRYW C32H44N8O6 636.3384 NA PeJP NA NA +MJ087672 Ansatrienin B; 1'',2''-Didehydro C36H48N2O8 636.341066 NA MeJP NA NA +MJ087673 Ansatrienin B; 20,23-Quinone C36H48N2O8 636.341066 NA MeJP NA NA +MJ087674 Benzoxazomycin C36H48N2O8 636.341066 NA MeJP NA NA +C12098 Ansatrienin A C36H48N2O8 636.3411 NA KEGG NA NA +PJ011015 ALMFR C29H48N8O6S 636.3418 NA PeJP NA NA +PJ011016 SSSTKK C25H48N8O11 636.3443 NA PeJP NA NA +PJ011017 CKKKM C26H52N8O6S2 636.3451 NA PeJP NA NA +3813 smooth muscles contracting peptide YVLSR 636.348 ACE inhibitor Inhouse_peptide NA peptide +PJ011018 VVKEY C30H48N6O9 636.3483 NA PeJP NA NA +MJ087675 Vecuronium (1+); Bromide C34H57BrN2O4 636.35017 NA MeJP NA NA +MJ087676 1,3,7,27-Tetrahydroxywitha-5,24-dienolide, 3-O-?-D-Glucopyranoside C34H52O11 636.350962 NA MeJP NA NA +PJ011019 SVLRY C29H48N8O8 636.3595 NA PeJP NA NA +PJ011020 PVKFF C34H48N6O6 636.3636 NA PeJP NA NA +PJ011021 VLKMF C31H52N6O6S 636.3669 NA PeJP NA NA +MJ087677 Nephila clavata Neurotoxin 4 JSTX-4 C28H48N10O7 636.370743 NA MeJP NA NA +PJ011022 PQKKH C28H48N10O7 636.3708 NA PeJP NA NA +PJ011023 TLLKY C31H52N6O8 636.3847 NA PeJP NA NA +MJ087678 1,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, O-?-D-Xylopyranosyl ester C35H56O10 636.387348 NA MeJP NA NA +MJ087679 16,23:16,24-Diepoxy-3,6,7,25-cycloartanetetrol, 3-O-?-D-Xylopyranoside C35H56O10 636.387348 NA MeJP NA NA +MJ087680 2,3,6,23-Tetrahydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside C35H56O10 636.387348 NA MeJP NA NA +MJ087681 3,19,23,24-Tetrahydroxy-12-ursen-28-oic acid, 3-O-?-D-Arabinopyranoside C35H56O10 636.387348 NA MeJP NA NA +MJ087682 3,23,27,29-Tetrahydroxy-12-oleanen-28-oic acid, ?-L-Arabinopyranosyl ester C35H56O10 636.387348 NA MeJP NA NA +MJ087683 3,5,7,8,9,15-Hexahydroxy-6(17),11-jatrophadien-14-one, 5,7,8-Tris(2-methylbutanoyl) C35H56O10 636.387348 NA MeJP NA NA +MJ087684 Antibiotic RK 397 C35H56O10 636.387348 NA MeJP NA NA +MJ087685 Astralagus alexandrinus Saponin C35H56O10 636.387348 NA MeJP NA NA +MJ087686 Cimigenol; 12?-Hydroxy, 3-O-?-D-xylopyranoside C35H56O10 636.387348 NA MeJP NA NA +MJ087687 Cimigenol; 12?-Hydroxy, 3-O-?-L-arabinopyranoside C35H56O10 636.387348 NA MeJP NA NA +MJ087688 Cimigenol; 1?-Hydroxy, 3-O-xylopyranoside C35H56O10 636.387348 NA MeJP NA NA +MJ087689 Cimigenol; 21-Hydroxy, 3-O-?-D-xylopyranoside C35H56O10 636.387348 NA MeJP NA NA +MJ087690 Cimigenol; 21-Hydroxy, 3-O-?-L-arabinopyranoside C35H56O10 636.387348 NA MeJP NA NA +MJ087691 Cimigenol; 7?-Hydroxy, 3-O-?-D-xylopyranoside C35H56O10 636.387348 NA MeJP NA NA +MJ087692 Ochreasteroside C35H56O10 636.387348 NA MeJP NA NA +PJ011024 AKKKY C30H52N8O7 636.3959 NA PeJP NA NA +MJ087693 2,3,27-Trihydroxy-28-ursanoic acid, 27-(4-Hydroxycinnamoyl) C39H56O7 636.402604 NA MeJP NA NA +C13927 Argiotoxin 636 C29H52N10O6 636.4071 NA KEGG NA NA +C13928 Transferred to D02164 C29H52N10O6 636.4071 NA KEGG NA NA +MJ087694 Argiopine C29H52N10O6 636.407129 NA MeJP NA NA +PJ011025 VLLHR C29H52N10O6 636.4072 NA PeJP NA NA +PJ011026 PPVVLL C32H56N6O7 636.4211 NA PeJP NA NA +MJ087695 12-Oleanene-3,16,23,28-tetrol, 28-O-?-D-Glucopyranoside C36H60O9 636.423733 NA MeJP NA NA +MJ087696 12-Oleanene-3,16,23,28-tetrol, 3-O-?-D-Galactopyranoside C36H60O9 636.423733 NA MeJP NA NA +MJ087697 20,24-Epoxy-12,25-dihydroxy-3,4-secodammar-4(28)-en-3-oic acid, 12-O-6-Deoxy-?-D-glucopyranoside C36H60O9 636.423733 NA MeJP NA NA +MJ087698 22,25-Epoxycycloartane-3,16,24-triol, 3-O-?-D-Glucopyranoside C36H60O9 636.423733 NA MeJP NA NA +MJ087699 3,11,16-Trihydroxycycloartan-24-one, 3-O-?-D-Glucopyranoside C36H60O9 636.423733 NA MeJP NA NA +MJ087700 3,22,25-Trihydroxylanost-9(11)-en-24-one, 3-O-?-D-Glucopyranoside C36H60O9 636.423733 NA MeJP NA NA +MJ087701 3,24,25-Trihydroxycucurbit-5-en-11-one, 3-O-?-D-Glucopyranoside C36H60O9 636.423733 NA MeJP NA NA +MJ087702 Bafilomycin A1; O21-Me C36H60O9 636.423733 NA MeJP NA NA +MJ087703 Cycloart-24-ene-1,3,16,26-tetrol, 26-O-?-D-Glucopyranoside C36H60O9 636.423733 NA MeJP NA NA +MJ087704 Dammar-24-ene-3,6,20,26-tetrol, 3-Ketone, 26-O-?-D-glucopyranoside C36H60O9 636.423733 NA MeJP NA NA +MJ087705 Fasciculic acid B C36H60O9 636.423733 NA MeJP NA NA +MJ087706 Raspacionin; 15-Deacetyl, 10,28-dihydro, 10?-acetoxy, 4-Ac C36H60O9 636.423733 NA MeJP NA NA +MetaCyc04001 soyasapogenol B-3-O-β-glucuronide [] C36H60O9 636.423734 NA metacyc NA NA +MJ087707 Acacigenin B; 16-Deoxy C40H60O6 636.438989 NA MeJP NA NA +MJ087708 Cryptomeria acetal A C40H60O6 636.438989 NA MeJP NA NA +MJ087709 Mactraxanthin C40H60O6 636.438989 NA MeJP NA NA +MJ087710 Skimmiarepin A; 3-Deacyl, 3-(2Z,4E,6E-decatrienoyl) C40H60O6 636.438989 NA MeJP NA NA +MJ087711 Bullatacinone; 24-Epimer, 9-oxo C37H64O8 636.460119 NA MeJP NA NA +MJ087712 Goniotriocin C37H64O8 636.460119 NA MeJP NA NA +MJ087713 Microcarpacin A; 33-Ketone C37H64O8 636.460119 NA MeJP NA NA +MJ087714 Staphisagnine; 13-De-methoxy C43H60N2O2 636.465479 NA MeJP NA NA +MJ087715 Staphisine C43H60N2O2 636.465479 NA MeJP NA NA +MJ087716 Variabilin, 18-Hexadecanoyl C41H64O5 636.475375 NA MeJP NA NA +HMDB07288 DG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C41H64O5 636.475403 NA HMDB2010 NA NA +HMDB07317 DG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C41H64O5 636.475403 NA HMDB2010 NA NA +HMDB07344 DG(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C41H64O5 636.475403 NA HMDB2010 NA NA +HMDB07345 DG(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C41H64O5 636.475403 NA HMDB2010 NA NA +HMDB07512 DG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C41H64O5 636.475403 NA HMDB2010 NA NA +HMDB07541 DG(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C41H64O5 636.475403 NA HMDB2010 NA NA +HMDB07568 DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/0:0) C41H64O5 636.475403 NA HMDB2010 NA NA +HMDB07569 DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/0:0) C41H64O5 636.475403 NA HMDB2010 NA NA +HMDB07087 DG(15:0/22:1(13Z)/0:0) C40H76O5 636.569275 NA HMDB2010 NA NA +HMDB07619 DG(22:1(13Z)/15:0/0:0) C40H76O5 636.569275 NA HMDB2010 NA NA +MJ087717 12-Oleanen-3-ol, O-Tetradecanoyl C44H76O2 636.584531 NA MeJP NA NA +MJ087718 12-Ursen-3-ol, Tetradecanoyl C44H76O2 636.584531 NA MeJP NA NA +MJ087719 20(29)-Lupen-3-ol, Tetradecanoyl C44H76O2 636.584531 NA MeJP NA NA +MJ087720 Achilleol A; Tetradecanoyl C44H76O2 636.584531 NA MeJP NA NA +MJ087721 Fomentaric acid C41H80O4 636.605661 NA MeJP NA NA +MJ087722 Glycinoprenol 9 C45H80O 636.620917 NA MeJP NA NA +MJ087723 Salantel C20H11Cl2I2NO3 636.820535 NA MeJP NA NA +HMDB00693 Heparan sulfate C14H23NO21S3 636.99249 http://www.hmdb.ca/metabolites/HMDB00693 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00693 Heparan sulfate C14H23NO21S3 636.99249 http://www.hmdb.ca/metabolites/HMDB00693 HMDB NA NA +HMDB00693 Heparan sulfate C14H23NO21S3 636.99249 http://www.hmdb.ca/metabolites/HMDB00693 PFEM_hmdb_metabocards_blood NA blood +HMDB00693 Heparan sulfate C14H23NO21S3 636.99249 HMDB00693 PFEM_hmdb_metabocards_official NA NA +HMDB00693 Heparan sulfate C14H23NO21S3 636.992493 NA HMDB2010 NA NA +C16290 Delphinidin 3-O-3'',6''-O-dimalonylglucoside C27H25O18 637.1041 NA KEGG NA NA +MJ087724 Dibenzothioline C31H31N3O8S2 637.155256 NA MeJP NA NA +PJ011027 GCNDDD C21H31N7O14S 637.165 NA PeJP NA NA +PJ011028 CCCFY C27H35N5O7S3 637.1699 NA PeJP NA NA +FL7AAAGL0022 Pelargonidin 3-(6''-acetylglucoside)-5-glucoside C29H33O16 637.17686 - knapsack NA NA +FL7AAAGL0023 Pelargonidin 3-glucoside-5-(6''-acetylglucoside) C29H33O16 637.17686 170660-30-7 knapsack NA NA +FL7AACGL0038 Cyanidin 3-(4'''-acetylrutinoside) C29H33O16 637.17686 119514-09-9 knapsack NA NA +FL7AACGL0110 Cyanidin-3-(2'-acetylrutinoside) C29H33O16 637.17686 259813-57-5 knapsack NA NA +FL7DACGS0005 Luteolinidin 5-(3-glucoside-2-acetylglucoside) C29H33O16 637.17686 347861-61-4 knapsack NA NA +MJ087725 Chrymutin; O-[?-D-Fucopyranosyl-(1?2)-?-D-fucopyranoside] C32H31NO13 637.17954 NA MeJP NA NA +PJ011029 SPCCND C22H35N7O11S2 637.1836 NA PeJP NA NA +PJ011030 SCCYY C27H35N5O9S2 637.1876 NA PeJP NA NA +PJ011031 DDEEM C23H35N5O14S 637.1901 NA PeJP NA NA +PJ011032 GCCNNQ C21H35N9O10S2 637.1949 NA PeJP NA NA +PJ011033 CCEHF C26H35N7O8S2 637.1989 NA PeJP NA NA +PJ011034 GSNDDM C22H35N7O13S 637.2014 NA PeJP NA NA +PJ011035 APCCNM C23H39N7O8S3 637.2022 NA PeJP NA NA +PJ011036 GPCCQM C23H39N7O8S3 637.2023 NA PeJP NA NA +PJ011037 DDDHH C24H31N9O12 637.2092 NA PeJP NA NA +PJ011038 SSCNNN C21H35N9O12S 637.2126 NA PeJP NA NA +PJ011039 GPCCCR C22H39N9O7S3 637.2135 NA PeJP NA NA +PJ011040 SCNEW C26H35N7O10S 637.2166 NA PeJP NA NA +PJ011041 SSSNDE C22H35N7O15 637.2191 NA PeJP NA NA +PJ011042 NNEMM C23H39N7O10S2 637.22 NA PeJP NA NA +MJ087726 2-[[[4-[[2-Butyl-6-[[(methylamino)carbonyl]pentylamino]-1H-benzimidazol-1-yl]methyl]phenyl]amino]carbonyl]-3,6-dichlorobenzoic acid C33H37Cl2N5O4 637.22226 NA MeJP NA NA +PJ011043 PDDEY C27H35N5O13 637.2232 NA PeJP NA NA +PJ011044 TEEEM C24H39N5O13S 637.2265 NA PeJP NA NA +PJ011045 PEMMM C25H43N5O8S3 637.2274 NA PeJP NA NA +PJ011046 CNDMR C22H39N9O9S2 637.2312 NA PeJP NA NA +PJ011047 GGCDMR C22H39N9O9S2 637.2313 NA PeJP NA NA +PJ011048 GSCWW C30H35N7O7S 637.2319 NA PeJP NA NA +PJ011049 GSSSDW C26H35N7O12 637.2344 NA PeJP NA NA +PJ011050 GNMMW C27H39N7O7S2 637.2353 NA PeJP NA NA +MJ087727 Alangiside; 6'-O-?-D-Xylopyranosyl C30H39NO14 637.237054 NA MeJP NA NA +PJ011051 GSSQEM C23H39N7O12S 637.2378 NA PeJP NA NA +PJ011052 GPCCKM C24H43N7O7S3 637.2386 NA PeJP NA NA +PJ011053 CNQHH C24H35N11O8S 637.2391 NA PeJP NA NA +PJ011054 PDEMF C28H39N5O10S 637.2418 NA PeJP NA NA +PJ011055 VEEMM C25H43N5O10S2 637.2452 NA PeJP NA NA +PJ011056 NNNNY C25H35N9O11 637.2456 NA PeJP NA NA +PJ011057 GGGGGGGGY C25H35N9O11 637.2457 NA PeJP NA NA +PJ011058 ACCRW C26H39N9O6S2 637.2465 NA PeJP NA NA +PJ011059 GSSCER C22H39N9O11S 637.249 NA PeJP NA NA +PJ011060 GNDFW C30H35N7O9 637.2497 NA PeJP NA NA +MJ087728 1,2,3,4,6,9-Hexahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl), 9-cinnamoyl, 2,3-di-Ac C34H39NO11 637.252311 NA MeJP NA NA +MJ087729 1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 2-benzoyl, 1,6,14-tri-Ac C34H39NO11 637.252311 NA MeJP NA NA +MJ087730 1,2,8,9,14-Pentahydroxydihydro-?-agarofuran, 14-(2-Pyridinecarbonyl), 9-benzoyl, 1,2,8-tri-Ac C34H39NO11 637.252311 NA MeJP NA NA +MJ087731 1,2,8,9,14-Pentahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 9-benzoyl, 1,2,8-tri-Ac C34H39NO11 637.252311 NA MeJP NA NA +MJ087732 1,6,8,9,14-Pentahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarboxyl), 6-benzoyl, tri-Ac C34H39NO11 637.252311 NA MeJP NA NA +MJ087733 1,6,8,9,14-Pentahydroxydihydro-?-agarofuran, 3-Pyridinecarbonyl, benzoyl, tri-Ac C34H39NO11 637.252311 NA MeJP NA NA +PJ011061 SSQMW C27H39N7O9S 637.253 NA PeJP NA NA +PJ011062 SSSTQE C23H39N7O14 637.2555 NA PeJP NA NA +PJ011063 NDKMM C24H43N7O9S2 637.2564 NA PeJP NA NA +PJ011064 GSSNHH C24H35N11O10 637.2569 NA PeJP NA NA +PJ011065 PTEEY C28H39N5O12 637.2595 NA PeJP NA NA +PJ011066 VDEEF C28H39N5O12 637.2596 NA PeJP NA NA +PJ011067 PPMMY C29H43N5O7S2 637.2604 NA PeJP NA NA +PJ011068 SSCRW C26H39N9O8S 637.2642 NA PeJP NA NA +PJ011069 VDMHH C26H39N9O8S 637.2643 NA PeJP NA NA +PJ011070 SSSSDR C22H39N9O13 637.2668 NA PeJP NA NA +PJ011071 SNMMR C23H43N9O8S2 637.2676 NA PeJP NA NA +PJ011072 GMHFF C31H39N7O6S 637.2683 NA PeJP NA NA +PJ011073 GSSTTW C27H39N7O11 637.2708 NA PeJP NA NA +PJ011074 ACKMW C28H43N7O6S2 637.2716 NA PeJP NA NA +PJ011075 GTTTQM C24H43N7O11S 637.2741 NA PeJP NA NA +PJ011076 GSSKEM C24H43N7O11S 637.2742 NA PeJP NA NA +PJ011077 PPDFY C32H39N5O9 637.2748 NA PeJP NA NA +PJ011078 CNKHH C25H39N11O7S 637.2755 NA PeJP NA NA +7884 peptide from myosin heavy chain, pork muscles VPSIDDQEELM 637.2781 MH2+ Inhouse_peptide NA peptide +PJ011079 PVEMY C29H43N5O9S 637.2782 NA PeJP NA NA +PJ011080 TCCRR C22H43N11O7S2 637.2789 NA PeJP NA NA +PJ011081 GNERY C26H39N9O10 637.282 NA PeJP NA NA +PJ011082 AHHHH C27H35N13O6 637.2834 NA PeJP NA NA +PJ011083 GSSTMR C23H43N9O10S 637.2854 NA PeJP NA NA +PJ011084 AAQYW C31H39N7O8 637.286 NA PeJP NA NA +MJ087734 Myrsinol; 7-(3-Pyridinecarbonyl), 3-butanoyl, 5-propanoyl, 15-Ac C35H43NO10 637.288696 NA MeJP NA NA +MJ087735 Myrsinol; 7-(3-Pyridinecarbonyl), 5-butanoyl, 3-propanoyl, 15-Ac C35H43NO10 637.288696 NA MeJP NA NA +MJ087736 Rifamycin W; 8,23-Dideoxy, 23-oxo C35H43NO10 637.288696 NA MeJP NA NA +PJ011085 SSKMW C28H43N7O8S 637.2894 NA PeJP NA NA +PJ011086 SSSTKE C24H43N7O13 637.2919 NA PeJP NA NA +PJ011087 TQKMM C25H47N7O8S2 637.2928 NA PeJP NA NA +PJ011088 PNDHR C25H39N11O9 637.2932 NA PeJP NA NA +PJ011089 GGPDHR C25H39N11O9 637.2933 NA PeJP NA NA +PJ011090 PPMFF C33H43N5O6S 637.2934 NA PeJP NA NA +PJ011091 VVEEY C29H43N5O11 637.2959 NA PeJP NA NA +PJ011092 PLMMF C30H47N5O6S2 637.2968 NA PeJP NA NA +PJ011093 NRYW C30H39N9O7 637.2973 NA PeJP NA NA +PJ011094 LLMMM C27H51N5O6S3 637.3002 NA PeJP NA NA +PJ011095 GQMFR C27H43N9O7S 637.3006 NA PeJP NA NA +PJ011096 GGAMFR C27H43N9O7S 637.3007 NA PeJP NA NA +PJ011097 SSSTTR C23H43N9O12 637.3031 NA PeJP NA NA +7814 ACE inhibitor from chickpea legumin MDFLI 637.3033 antibacterial Inhouse_peptide NA peptide +PJ011098 TCKMR C24H47N9O7S2 637.304 NA PeJP NA NA +PJ011099 AQKEY C28H43N7O10 637.3072 NA PeJP NA NA +PJ011100 GTTTKM C25H47N7O10S 637.3105 NA PeJP NA NA +PJ011101 PPVYY C33H43N5O8 637.3112 NA PeJP NA NA +PJ011102 GCFRR C26H43N11O6S 637.3119 NA PeJP NA NA +PJ011103 VLEMF C30H47N5O8S 637.3146 NA PeJP NA NA +PJ011104 GDKRY C27H43N9O9 637.3184 NA PeJP NA NA +PJ011105 AAKYW C32H43N7O7 637.3224 NA PeJP NA NA +MJ087737 Milbemycin ?1; 26-(2-Pyrrolylcarbonyloxy) C36H47NO9 637.325082 NA MeJP NA NA +MJ087738 Protostreptovaricin I C36H47NO9 637.325082 NA MeJP NA NA +PJ011106 PCKKY C29H47N7O7S 637.3258 NA PeJP NA NA +PJ011107 STTTTK C25H47N7O12 637.3283 NA PeJP NA NA +PJ011108 TKKMM C26H51N7O7S2 637.3292 NA PeJP NA NA +PJ011109 GSRRY C26H43N11O8 637.3296 NA PeJP NA NA +PJ011110 TLLEY C30H47N5O10 637.3323 NA PeJP NA NA +PJ011111 APKHW C31H43N9O6 637.3337 NA PeJP NA NA +PJ011112 GKMFR C28H47N9O6S 637.337 NA PeJP NA NA +PJ011113 AKKEY C29H47N7O9 637.3435 NA PeJP NA NA +PJ011114 GAVTKY C29H47N7O9 637.3436 NA PeJP NA NA +PJ011115 PVLFY C34H47N5O7 637.3476 NA PeJP NA NA +PJ011116 VLLMY C31H51N5O7S 637.3509 NA PeJP NA NA +PJ011117 ATKRY C28H47N9O8 637.3548 NA PeJP NA NA +MJ087739 4(20),11-Taxadiene-5,9,10,13-tetrol, 5-(3-Dimethylamino-3-phenylpropanoyl), 9,10,13-tri-Ac C37H51NO8 637.361467 NA MeJP NA NA +PJ011118 CLKKF C30H51N7O6S 637.3622 NA PeJP NA NA +PJ011119 PTKHR C27H47N11O7 637.366 NA PeJP NA NA +MJ087740 Destruxin D; Destruxin D1 C31H51N5O9 637.368678 NA MeJP NA NA +PJ011120 GLHRR C26H47N13O6 637.3773 NA PeJP NA NA +2643 synthetic fr,of human beta-CN, ACE inhibitor PVRAVP 637.378 NA Inhouse_peptide NA peptide +PJ011121 SLKKY C30H51N7O8 637.3799 NA PeJP NA NA +PJ011122 GAAPPLL C30H51N7O8 637.38 NA PeJP NA NA +MJ087741 Rosamicin; 2'-Propanoyl C34H55NO10 637.382596 NA MeJP NA NA +PJ011123 VLLFF C35H51N5O6 637.384 NA PeJP NA NA +MJ087742 Cystodytins; Cystodytin A, 1'-(9-Octadecenoyloxy) C40H51N3O4 637.387957 NA MeJP NA NA +MJ087743 Cystodytins; Cystodytin B, 1'-(9-Octadecenoyloxy) C40H51N3O4 637.387957 NA MeJP NA NA +PJ011124 GPPVLR C29H51N9O7 637.3912 NA PeJP NA NA +MJ087744 Rosamicin; 20-(Acetylhydrazone) C33H55N3O9 637.39383 NA MeJP NA NA +MJ087745 3,16,21,23-Tetrahydroxy-12-oxo-30-oleananal, 21-(2-Methylaminobenzoyl) C38H55NO7 637.397853 NA MeJP NA NA +PJ011125 PPLRR C28H51N11O6 637.4024 NA PeJP NA NA +PJ011126 APPLLK C31H55N7O7 637.4163 NA PeJP NA NA +MJ087746 Myxovirescin A; Myxovirescin A1, 5-Oxo C35H59NO9 637.418982 NA MeJP NA NA +PJ011127 LLKKH C30H55N9O6 637.4276 NA PeJP NA NA +EUR778 Lyso PC 22:1 [M-H+acetate]- C30H60NO7P 637.431842 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR778 Lyso PC 22:1 [M-H+acetate]- C30H60NO7P 637.431842 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR778 Lyso PC 22:1 [M-H+acetate]- C30H60NO7P 637.431842 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR778 Lyso PC 22:1 [M-H+acetate]- C30H60NO7P 637.431842 masses lipides attendues Inhousejuil11 NA NA +MJ087747 Isariin C33H59N5O7 637.441449 NA MeJP NA NA +C18137 2,2',4,4',5,5'-Hexabromodiphenyl ether C12H4Br6O 637.5362 NA KEGG NA NA +C18138 2,2',4,4',5,6'-Hexabromodiphenyl ether C12H4Br6O 637.5362 NA KEGG NA NA +MJ087748 Variceramides; Variceramide 2 C40H79NO4 637.60091 NA MeJP NA NA +HMDB11767 Cer(d18:0/23:0) C41H83NO3 637.637268 NA HMDB2010 NA NA +MJ087749 KP 736 C21H18N8O8S4 638.013042 NA MeJP NA NA +MJ087750 Beticolin 2 C31H23ClO13 638.082718 NA MeJP NA NA +MJ087751 Cebetin A C31H23ClO13 638.082718 NA MeJP NA NA +MJ087752 Pentafuhalol A; 4'''-Deoxy C30H22O16 638.090783999999 NA MeJP NA NA +MJ087753 Pentaisofuhalol C30H22O16 638.090783999999 NA MeJP NA NA +C12632 Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] C27H26O18 638.1119 NA KEGG NA NA +FL3FACGS0028 Luteolin 7-glucuronosyl-(1->2)-glucuronide C27H26O18 638.11191 96400-45-2 knapsack NA NA +FL3FACGS0032 Luteolin 7,3'-diglucuronide C27H26O18 638.11191 53965-08-5 knapsack NA NA +FL3FACGS0033 Luteolin 7,3'-digalacturonide C27H26O18 638.11191 56317-13-6 knapsack NA NA +FL3FACGS0038 Luteolin 7,4'-diglucuronide C27H26O18 638.11191 53965-09-6 knapsack NA NA +FL3FACGS0041 Luteolin 3',4'-diglucuronide C27H26O18 638.11191 53527-41-6 knapsack NA NA +FL3FACGS0042 Luteolin 3',4'-digalacturonide C27H26O18 638.11191 56317-14-7 knapsack NA NA +FL3FEAGS0030 6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide;Scutellarein 7-glucuronosyl-(1->2)-glucuronide;5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-beta-D-glucopyranuronosyl-beta-D-Glucopyranosiduronic acid C27H26O18 638.11191 150641-65-9 knapsack NA NA +MJ087754 3',4',5,7-Tetrahydroxyflavone; 3',4'-Di-O-?-D-glucuronopyranoside C27H26O18 638.111914 NA MeJP NA NA +MJ087755 3',4',5,7-Tetrahydroxyflavone; 3',4'-Di-O-galacturonoside C27H26O18 638.111914 NA MeJP NA NA +MJ087756 3',4',5,7-Tetrahydroxyflavone; 3',7-Di-O-?-D-glucuronopyranoside C27H26O18 638.111914 NA MeJP NA NA +MJ087757 3',4',5,7-Tetrahydroxyflavone; 3',7-Di-O-galacturonoside C27H26O18 638.111914 NA MeJP NA NA +MJ087758 3',4',5,7-Tetrahydroxyflavone; 4',7-Di-O-?-D-glucuronopyranoside C27H26O18 638.111914 NA MeJP NA NA +MJ087759 4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C27H26O18 638.111914 NA MeJP NA NA +MJ087760 Chesnatin C27H26O18 638.111914 NA MeJP NA NA +MJ087761 Isochesnatin C27H26O18 638.111914 NA MeJP NA NA +MetaCyc04002 luteolin 7-O-β-D-diglucuronide [luteolin 7-O-[β-D-glucuronosyl-(1->2)-β-D-glucuronide];] C27H26O18 638.111914 NA metacyc NA NA +MJ087762 4',5,6,7-Tetrahydroxyflavone; 6-O-(4-Hydroxy-3-methoxycinnamoyl), 7-O-?-D-glucuronopyranoside C31H26O15 638.12717 NA MeJP NA NA +FL3FEAGN0001 Scutellarein 7-glucuronide-6-ferulate C31H26O15 638.12717 97165-28-1 knapsack NA NA +MJ087763 Beccapolydione C37H22N2O9 638.13253 NA MeJP NA NA +MJ087764 Fodipir C22H32N4O14P2 638.139024 NA MeJP NA NA +PJ011128 ACCCCH C21H34N8O7S4 638.1434 NA PeJP NA NA +FL3FALGS0006 Isoetin 7-glucoside-2'-(4''-acetylxyloside) C28H30O17 638.14829 134981-98-9 knapsack NA NA +FL5FABGS0008 Kaempferide 5-glucoside-7-glucuronide C28H30O17 638.14829 106327-65-5 knapsack NA NA +FL5FFAGS0020 Herbacetin 7-(6''-quinoylglucoside) C28H30O17 638.14829 95262-52-5 knapsack NA NA +MJ087765 2',4',5,5',7-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside, 2'-O-(4-O-acetyl-?-D-xylopyranoside) C28H30O17 638.148299 NA MeJP NA NA +MJ087766 3,4',5,7,8-Pentahydroxyflavone; 7-O-[1,3,4,5-Tetrahydroxycyclohexanecarbonyl-(?6)-?-D-glucopyranoside] C28H30O17 638.148299 NA MeJP NA NA +MJ087767 3,5,7-Trihydroxy-4'-methoxyflavone; 5-O-?-D-Glucopyranoside, 7-O-?-D-glucuronopyranoside C28H30O17 638.148299 NA MeJP NA NA +MJ087768 Ellagic acid; 2,3-Di-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H30O17 638.148299 NA MeJP NA NA +MJ087769 Ellagic acid; 2,7-Di-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C28H30O17 638.148299 NA MeJP NA NA +MJ087770 Ellagic acid; 3,8-Di-Me ether, 2-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H30O17 638.148299 NA MeJP NA NA +MJ087771 Hyperin; 7-O-?-Arabinopyranoside, 2''-Ac C28H30O17 638.148299 NA MeJP NA NA +PJ011129 GCDDDD C21H30N6O15S 638.149 NA PeJP NA NA +PJ011130 SSCCCH C21H34N8O9S3 638.1611 NA PeJP NA NA +FL1C3CGS0005 Okanin 4'-(4''-acetyl-6''-p-coumarylglucoside) C32H30O14 638.16355 118853-83-1 knapsack NA NA +FL3FADCS0024 Isoscoparin 2''-O-ferulate C32H30O14 638.16355 - knapsack NA NA +MJ087772 2',3,3',4,4'-Pentahydroxychalcone, 4'-O-[4-Hydroxycinnamoyl-(?6)-4-O-acetyl-?-D-glucopyranoside] C32H30O14 638.163555 NA MeJP NA NA +MJ087773 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 4'',4'''-Di-Me ether C32H30O14 638.163555 NA MeJP NA NA +MJ087774 Ergochromes; Ergochrome A ent-B C32H30O14 638.163555 NA MeJP NA NA +MJ087775 Ergochromes; Ergochrome AA C32H30O14 638.163555 NA MeJP NA NA +MJ087776 Ergochromes; Ergochrome AB C32H30O14 638.163555 NA MeJP NA NA +MJ087777 Ergochromes; Ergochrome BB C32H30O14 638.163555 NA MeJP NA NA +MJ087778 Ergochromes; Ergochrome BE C32H30O14 638.163555 NA MeJP NA NA +MJ087779 Ergochromes; Ergochrome EE C32H30O14 638.163555 NA MeJP NA NA +MJ087780 Ergochromes; Ergochrome ent-B, ent-B C32H30O14 638.163555 NA MeJP NA NA +MJ087781 Itabishilin C32H30O14 638.163555 NA MeJP NA NA +MJ087782 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] C32H31O14(+) 638.163555 NA MeJP NA NA +PJ011131 SPCCDD C22H34N6O12S2 638.1676 NA PeJP NA NA +MJ087783 1,1',8,8'-Tetrahydroxy-3,3'-dimethyl-4,7'-bianthracene-9,9',10(10'H)-trione; 10'-C-(6-Deoxy-?-D-glucopyranoside) C36H30O11 638.178811 NA MeJP NA NA +MJ087784 1,1',8,8'-Tetrahydroxy-3,3'-dimethyl-4,7'-bianthracene-9,9',10(10'H)-trione; 10'-C-(6-Deoxy-?-D-gulopyranoside) C36H30O11 638.178811 NA MeJP NA NA +MJ087785 1,1',8,8'-Tetrahydroxy-3,3'-dimethyl-4,7'-bianthracene-9,9',10(10'H)-trione; 10'-C-?-L-Rhamnopyranosyl C36H30O11 638.178811 NA MeJP NA NA +MJ087786 Julichrome Q5.6 C36H30O11 638.178811 NA MeJP NA NA +PJ011132 GCCNNE C21H34N8O11S2 638.1789 NA PeJP NA NA +FL3FAIGS0004 Tricin 7-neohesperidoside C29H34O16 638.18468 53766-40-8 knapsack NA NA +FL3FAIGS0008 Tricin 7-rutinoside C29H34O16 638.18468 50816-55-2 knapsack NA NA +FL3FEAGS0017 Scutellarein 7,4'-dimethyl ether 6-sophoroside C29H34O16 638.18468 57498-68-7 knapsack NA NA +FL3FECGS0031 6-Hydroxyluteolin 6,4'-dimethyl ether 7-rutinoside C29H34O16 638.18468 76633-80-2 knapsack NA NA +FL3FECGS0052 6-Hydroxyluteolin 6,3'-dimethyl eter 7-rutinoside C29H34O16 638.18468 - knapsack NA NA +FL5F1GGS0003 3,4'-Dihydroxy-7,3',5'-trimethoxyflavone 3-galactosyl-(1->4)-xyloside;3-[(4-O-beta-D-Galactopyranosyl-beta-D-xylopyranosyl)oxy]-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C29H34O16 638.18468 476644-81-2 knapsack NA NA +FL5FAFGL0001 Dillenetin 3-neohesperidoside;Quercetin 3',4'-dimethyl ether 3-neohesperidoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C29H34O16 638.18468 160809-60-9 knapsack NA NA +FL5FAFGL0002 Dillenetin 3-rutinoside C29H34O16 638.18468 72945-42-7 knapsack NA NA +FL5FCDGL0002 Rhamnazin 3-rutinoside C29H34O16 638.18468 64527-08-8 knapsack NA NA +FL5FCEGL0002 Ombuin 3-neohesperidoside C29H34O16 638.18468 73427-23-3 knapsack NA NA +FL5FCEGL0003 Ombuoside C29H34O16 638.18468 20188-85-6 knapsack NA NA +FL5FDAGS0007 Quercetin 3,7-dimethyl ether 3'-neohesperidoside;2-[3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-4-hydroxyphenyl]-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one C29H34O16 638.18468 209532-52-5 knapsack NA NA +FL5FDDGS0003 Quercetin 3,3'-dimethyl ether 7-rutinoside;7-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one C29H34O16 638.18468 211292-70-5 knapsack NA NA +FLIAEAGS0006 7-O-Methyltectorigenin 4'-O-gentiobioside C29H34O16 638.18468 68418-92-8 knapsack NA NA +MJ087787 1,2,4,5-Tetrahydroxy-7-methylanthraquinone; 2,5-Di-Me ether, 4-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O16 638.184685 NA MeJP NA NA +MJ087788 1,3,6,8-Tetrahydroxy-2-methylanthraquinone; 6,8-Di-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O16 638.184685 NA MeJP NA NA +MJ087789 3',5,7-Trihydroxy-3,4'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O16 638.184685 NA MeJP NA NA +MJ087790 3',5,7-Trihydroxy-4',6-dimethoxyflavone; 7-O-Rutinoside C29H34O16 638.184685 NA MeJP NA NA +MJ087791 3,3',4',5,7-Pentahydroxyflavone; 3,7-Di-Me ether, 3'-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C29H34O16 638.184685 NA MeJP NA NA +MJ087792 3,3',5-Trihydroxy-4',7-dimethoxyflavone; 3-O-Neohesperidoside C29H34O16 638.184685 NA MeJP NA NA +MJ087793 3,3',5-Trihydroxy-4',7-dimethoxyflavone; 3-O-Rutinoside C29H34O16 638.184685 NA MeJP NA NA +MJ087794 3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O16 638.184685 NA MeJP NA NA +MJ087795 3,4',5-Trihydroxy-6,7-dimethoxyflavone; 3-O-(Galactosylrhamnoside) C29H34O16 638.184685 NA MeJP NA NA +MJ087796 3,5,7-Trihydroxy-3',4'-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C29H34O16 638.184685 NA MeJP NA NA +MJ087797 3,5,7-Trihydroxy-3',4'-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O16 638.184685 NA MeJP NA NA +MJ087798 4',5,6,7-Tetrahydroxyisoflavone; 6,7-Di-Me ether, 4'-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O16 638.184685 NA MeJP NA NA +MJ087799 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C29H34O16 638.184685 NA MeJP NA NA +MJ087800 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O16 638.184685 NA MeJP NA NA +MJ087801 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C29H34O16 638.184685 NA MeJP NA NA +MJ087802 4',5,7-Trihydroxy-3,3'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O16 638.184685 NA MeJP NA NA +MJ087803 5,6-Dihydroxy-4',7-dimethoxyflavone; 6-O-Sophoroside C29H34O16 638.184685 NA MeJP NA NA +MJ087804 Campneoside I; O?-De-Me, ?-ketone C29H34O16 638.184685 NA MeJP NA NA +MJ087805 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H35O16(+) 638.184685 NA MeJP NA NA +MJ087806 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C29H35O16(+) 638.184685 NA MeJP NA NA +MJ087807 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-?-L-Rhamnopyranoside, 5-O-?-D-glucopyranoside C29H35O16(+) 638.184685 NA MeJP NA NA +MJ087808 3,4',5-Trihydroxy-3',7-dimethoxyflavylium(1+); 3,5-Di-O-?-D-glucopyranoside C29H35O16(+) 638.184685 NA MeJP NA NA +PJ011133 GSDDDM C22H34N6O14S 638.1854 NA PeJP NA NA +PJ011134 GPCCEM C23H38N6O9S3 638.1863 NA PeJP NA NA +MJ087809 Glycobismine D C35H30N2O10 638.190045 NA MeJP NA NA +PJ011135 CCNNW C25H34N8O8S2 638.1941 NA PeJP NA NA +PJ011136 SSCNND C21H34N8O13S 638.1966 NA PeJP NA NA +MJ087810 Rutaevin; O-(3,4,5-Trihydroxybenzoyl) C33H34O13 638.199941 NA MeJP NA NA +PJ011137 SCDEW C26H34N6O11S 638.2006 NA PeJP NA NA +PJ011138 PCCMW C27H38N6O6S3 638.2015 NA PeJP NA NA +PJ011139 SSSDDE C22H34N6O16 638.2031 NA PeJP NA NA +PJ011140 NDEMM C23H38N6O11S2 638.204 NA PeJP NA NA +MJ087811 3,6-Dihydroxypregn-9(11)-en-20-one, 6-O-(6-Deoxy-4-O-sulfo-?-D-glucopyranoside), 3-O-sulfate C27H42O13S2 638.206682 NA MeJP NA NA +MJ087812 Adriamycin; 3'-Deamino, 3'-(3-cyanomorpholinyl) C32H34N2O12 638.211174 NA MeJP NA NA +PJ011141 CDDMR C22H38N8O10S2 638.2153 NA PeJP NA NA +MJ087813 Nikkomycin JT C26H34N6O13 638.218385 NA MeJP NA NA +PJ011142 NDDEF C26H34N6O13 638.2184 NA PeJP NA NA +PJ011143 GDMMW C27H38N6O8S2 638.2193 NA PeJP NA NA +MJ087814 11,20-Epoxy-2,8,9,12,13,14,16-heptahydroxy-3,5-briaradien-18,7-olide; 9,12,13,14,16-Penta-Ac C30H38O15 638.22107 NA MeJP NA NA +MJ087815 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxycinnamoyl-(?4)]-?-D-glucopyranoside] C30H38O15 638.22107 NA MeJP NA NA +MJ087816 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C30H38O15 638.22107 NA MeJP NA NA +MJ087817 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxy-Z-cinnamoyl-(?4)]-?-D-glucopyranoside] C30H38O15 638.22107 NA MeJP NA NA +MJ087818 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxycinnamoyl-(?6)]-?-D-glucopyranoside] C30H38O15 638.22107 NA MeJP NA NA +MJ087819 4',5,7-Trihydroxy-6,8-dimethylflavanone, 4'-Me ether, 7-O-[?-D-glucopyranosyl-(1??)-?-D-glucpyranoside] C30H38O15 638.22107 NA MeJP NA NA +MJ087820 Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[4-hydroxycinnamoyl-(?2)-?-L-rhamnopyranoside] C30H38O15 638.22107 NA MeJP NA NA +MJ087821 Azadirachtin; O1-Detigloyl C30H38O15 638.22107 NA MeJP NA NA +MJ087822 Catalpol; 10-O-E-Cinnamoyl, 6-O-?-L-rhamnopyranoside C30H38O15 638.22107 NA MeJP NA NA +MJ087823 Catalpol; 6-O-(2-O-E-Cinnamoyl-?-L-rhamnopyranoside) C30H38O15 638.22107 NA MeJP NA NA +MJ087824 Catalpol; 6-O-(3-O-E-Cinnamoyl-?-L-rhamnopyranoside) C30H38O15 638.22107 NA MeJP NA NA +MJ087825 Catalpol; 6-O-(4-O-E-Cinnamoyl-?-L-rhamnopyranoside) C30H38O15 638.22107 NA MeJP NA NA +MJ087826 Eukovoside C30H38O15 638.22107 NA MeJP NA NA +FL2FALGS0003 4'-Hydroxy-5,7,2'-trimethoxyflavanone 4'-rhamnosyl-(1->6)-glucoside C30H38O15 638.22107 343254-00-2 knapsack NA NA +PJ011144 GSSEEM C23H38N6O13S 638.2218 NA PeJP NA NA +PJ011145 ASPCMM C24H42N6O8S3 638.2226 NA PeJP NA NA +PJ011146 GPTCMM C24H42N6O8S3 638.2227 NA PeJP NA NA +PJ011147 CNEHH C24H34N10O9S 638.2231 NA PeJP NA NA +MJ087827 Grossamide; 2-Epimer, 2'''-oxo C36H34N2O9 638.22643 NA MeJP NA NA +PJ011148 GSCCNR C21H38N10O9S2 638.2265 NA PeJP NA NA +PJ011149 NNNDY C25H34N8O12 638.2296 NA PeJP NA NA +PJ011150 GGGGNDY C25H34N8O12 638.2297 NA PeJP NA NA +PJ011151 SSSNNM C22H38N8O12S 638.233 NA PeJP NA NA +PJ011152 GDDFW C30H34N6O10 638.2337 NA PeJP NA NA +PJ011153 SSEMW C27H38N6O10S 638.237 NA PeJP NA NA +PJ011154 GCHHW C28H34N10O6S 638.2384 NA PeJP NA NA +PJ011155 SSSTEE C23H38N6O15 638.2395 NA PeJP NA NA +PJ011156 TQEMM C24H42N6O10S2 638.2404 NA PeJP NA NA +PJ011157 GSSDHH C24H34N10O11 638.2409 NA PeJP NA NA +PJ011158 MYYY C32H38N4O8S 638.241 NA PeJP NA NA +MJ087828 Kanokoside A; 10-O-?-D-Glucopyranoside C27H42O17 638.242199 NA MeJP NA NA +C17430 Kanokoside C C27H42O17 638.2422 NA KEGG NA NA +MJ087829 1,2,8,9,14-Pentahydroxydihydro-?-agarofuran, 9,14-Bis(3-pyridinecarbonyl), 1,2,8-tri-Ac C33H38N2O11 638.24756 NA MeJP NA NA +PJ011159 NNNMF C26H38N8O9S 638.2483 NA PeJP NA NA +PJ011160 GSSSSSQ C22H38N8O14 638.2508 NA PeJP NA NA +PJ011161 SDMMR C23H42N8O9S2 638.2516 NA PeJP NA NA +PJ011162 APCYW C31H38N6O7S 638.2523 NA PeJP NA NA +PJ011163 AQEEY C27H38N6O12 638.2548 NA PeJP NA NA +PJ011164 ATMMW C28H42N6O7S2 638.2557 NA PeJP NA NA +MJ087830 15,16-Epoxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, [?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl] ester C31H42O14 638.257456 NA MeJP NA NA +PJ011165 GTTTEM C24H42N6O12S 638.2582 NA PeJP NA NA +PJ011166 VQMMM C25H46N6O7S3 638.259 NA PeJP NA NA +PJ011167 SQMHH C25H38N10O8S 638.2595 NA PeJP NA NA +MJ087831 Secantioquine C37H38N2O8 638.262816 NA MeJP NA NA +MJ087832 Secocepharanthine; ?'-Alcohol C37H38N2O8 638.262816 NA MeJP NA NA +MJ087833 Secoobaberine, O6-De-Me C37H38N2O8 638.262816 NA MeJP NA NA +MJ087834 Secoobaberine, O12'-De-Me C37H38N2O8 638.262816 NA MeJP NA NA +MJ087835 Secoobaberine, O7-De-Me C37H38N2O8 638.262816 NA MeJP NA NA +MJ087836 Sindamine C37H38N2O8 638.262816 NA MeJP NA NA +MJ087837 Tenuipine, O7-De-Me, N2'-oxide(?-) C37H38N2O8 638.262816 NA MeJP NA NA +PJ011168 PPCHW C30H38N8O6S 638.2635 NA PeJP NA NA +PJ011169 GDERY C26H38N8O11 638.266 NA PeJP NA NA +PJ011170 SSSCQK C23H42N8O11S 638.2694 NA PeJP NA NA +PJ011171 AAEYW C31H38N6O9 638.27 NA PeJP NA NA +PJ011172 GVDYW C31H38N6O9 638.2701 NA PeJP NA NA +PJ011173 AMMMR C24H46N8O6S3 638.2703 NA PeJP NA NA +PJ011174 SCHHR C24H38N12O7S 638.2707 NA PeJP NA NA +MJ087838 4(20),11-Taxadiene-1,2,5,7,9,10,13-heptol, 13-Ketone, 5E-cinnamoyl, 2,9,10-tri-Ac C35H42O11 638.272712 NA MeJP NA NA +MJ087839 Melianolone; 1-Cinnamoyl C35H42O11 638.272712 NA MeJP NA NA +PJ011175 TTTMW C28H42N6O9S 638.2734 NA PeJP NA NA +MJ087840 Haplophytine; 3,4-Dihydro, 6,7-didehydro, N1-de-Me C36H38N4O7 638.274049 NA MeJP NA NA +PJ011176 FFYY C36H38N4O7 638.2741 NA PeJP NA NA +MJ087841 Cryptophycin 18 C35H43ClN2O7 638.275879 NA MeJP NA NA +MJ087842 Cryptophycin 4; 6'-Chloro C35H43ClN2O7 638.275879 NA MeJP NA NA +PJ011177 STTTTE C24H42N6O14 638.2759 NA PeJP NA NA +PJ011178 TKEMM C25H46N6O9S2 638.2768 NA PeJP NA NA +PJ011179 PDDHR C25H38N10O10 638.2773 NA PeJP NA NA +PJ011180 DRYW C30H38N8O8 638.2813 NA PeJP NA NA +MJ087843 Alboviolaconitine D C34H42N2O10 638.283945 NA MeJP NA NA +PJ011181 PTCRY C27H42N8O8S 638.2846 NA PeJP NA NA +PJ011182 GEMFR C27H42N8O8S 638.2847 NA PeJP NA NA +PJ011183 TFWW C35H38N6O6 638.2853 NA PeJP NA NA +PJ011184 GSSSSSK C23H42N8O13 638.2871 NA PeJP NA NA +PJ011185 TTMMR C24H46N8O8S2 638.288 NA PeJP NA NA +PJ011186 GVMFW C32H42N6O6S 638.2887 NA PeJP NA NA +PJ011187 AKEEY C28H42N6O11 638.2912 NA PeJP NA NA +PJ011188 AQHHF C29H38N10O7 638.2925 NA PeJP NA NA +MJ087844 11-Taxene-2,5,7,9,10,13,20-heptol, 2,5,7,9,10,13-Hexa-Ac C32H46O13 638.293841 NA MeJP NA NA +MJ087845 11-Taxene-2,5,7,9,10,13,20-heptol, 5,7,9,10,13,20-Hexa-Ac C32H46O13 638.293841 NA MeJP NA NA +PJ011189 SSTTLM C25H46N6O11S 638.2945 NA PeJP NA NA +7902 peptide from bovine b-lactoglobulin WYSLA 638.295 antioxidative Inhouse_peptide NA peptide +PJ011190 VKMMM C26H50N6O6S3 638.2954 NA PeJP NA NA +PJ011191 SKMHH C26H42N10O7S 638.2959 NA PeJP NA NA +MJ087846 Calafatine; O7-De-Me C38H42N2O7 638.299201 NA MeJP NA NA +MJ087847 Cycleanine, N2-Oxide C38H42N2O7 638.299201 NA MeJP NA NA +MJ087848 Fastrine; 5-Deoxy C38H42N2O7 638.299201 NA MeJP NA NA +MJ087849 Hernandezine; N'-De-Me C38H42N2O7 638.299201 NA MeJP NA NA +MJ087850 Herveline C; 8,12'-Di-O-de-Me C38H42N2O7 638.299201 NA MeJP NA NA +MJ087851 Isotetrandrine; 2'-N-Oxide C38H42N2O7 638.299201 NA MeJP NA NA +MJ087852 Osornine C38H42N2O7 638.299201 NA MeJP NA NA +MJ087853 Tetrandrine, N2'-Oxide (?-) C38H42N2O7 638.299201 NA MeJP NA NA +MJ087854 Tetrandrine, N2-Oxide (?-) C38H42N2O7 638.299201 NA MeJP NA NA +MJ087855 Tetrandrine, N2'-Oxide (?-) C38H42N2O7 638.299201 NA MeJP NA NA +MJ087856 Thalfoetidine C38H42N2O7 638.299201 NA MeJP NA NA +MJ087857 Thalidasine; N2-De-Me C38H42N2O7 638.299201 NA MeJP NA NA +MJ087858 Thalidezine C38H42N2O7 638.299201 NA MeJP NA NA +MJ087859 Thalifaberine; 3-Demethoxy, O6',O9-di-de-Me C38H42N2O7 638.299201 NA MeJP NA NA +MJ087860 Thalisopidine; 5-Me ether C38H42N2O7 638.299201 NA MeJP NA NA +MJ087861 Thalisopine C38H42N2O7 638.299201 NA MeJP NA NA +MJ087862 Thalmiculine C38H42N2O7 638.299201 NA MeJP NA NA +MJ087863 Thalrugosidine C38H42N2O7 638.299201 NA MeJP NA NA +MJ087864 Tiliageine; O7-Me, N2-oxide C38H42N2O7 638.299201 NA MeJP NA NA +PJ011192 MFRW C31H42N8O5S 638.2999 NA PeJP NA NA +PJ011193 ATERY C27H42N8O10 638.3024 NA PeJP NA NA +PJ011194 SSSCKK C24H46N8O10S 638.3058 NA PeJP NA NA +PJ011195 GTLYW C32H42N6O8 638.3064 NA PeJP NA NA +MJ087865 Delavayin B; 3-(4-Hydroxyisoleucine) analogue C32H42N6O8 638.306412 NA MeJP NA NA +MJ087866 Stellarin C; 2'-Deoxy C32H42N6O8 638.306412 NA MeJP NA NA +PJ011196 PTKMY C29H46N6O8S 638.3098 NA PeJP NA NA +PJ011197 PTEHR C26H42N10O9 638.3136 NA PeJP NA NA +PJ011198 GGGSPKH C26H42N10O9 638.3137 NA PeJP NA NA +PJ011199 SPLHW C31H42N8O7 638.3177 NA PeJP NA NA +PJ011200 GLMRY C28H46N8O7S 638.321 NA PeJP NA NA +PJ011201 GGCKKF C28H46N8O7S 638.3211 NA PeJP NA NA +PJ011202 AQQHR C25H42N12O8 638.3249 NA PeJP NA NA +2750 ion flow regulating peptide TSLYR 638.327 antibacterial Inhouse_peptide NA peptide +PJ011203 SLKEY C29H46N6O10 638.3276 NA PeJP NA NA +PJ011204 AKHHF C30H42N10O6 638.3289 NA PeJP NA NA +PJ011205 PVMHR C27H46N10O6S 638.3323 NA PeJP NA NA +MJ087867 Dauricine; Me ether C39H46N2O6 638.335587 NA MeJP NA NA +MJ087868 Grisabine, Di-Me ether C39H46N2O6 638.335587 NA MeJP NA NA +MJ087869 Pisopowiaridine; 6',12'-Di-Me ether C39H46N2O6 638.335587 NA MeJP NA NA +MJ087870 Thalibrine; Me ether C39H46N2O6 638.335587 NA MeJP NA NA +PJ011206 GNHRR C24H42N14O7 638.3361 NA PeJP NA NA +PJ011207 STLRY C28H46N8O9 638.3388 NA PeJP NA NA +MJ087871 Stephanotic acid C33H46N6O7 638.342797 NA MeJP NA NA +PJ011208 PTKFF C33H46N6O7 638.3428 NA PeJP NA NA +MJ087872 Kraussianin; 21-Epimer, 28-deoxy C37H50O9 638.345483 NA MeJP NA NA +MJ087873 Kraussianin; 28-Deoxy C37H50O9 638.345483 NA MeJP NA NA +C09161 Pimelea factor P2 C37H50O9 638.3455 NA KEGG NA NA +PJ011209 VVKMY C30H50N6O7S 638.3462 NA PeJP NA NA +PJ011210 VVEHR C27H46N10O8 638.35 NA PeJP NA NA +PJ011211 GGGPPVR C27H46N10O8 638.3501 NA PeJP NA NA +PJ011212 ALLHW C32H46N8O6 638.3541 NA PeJP NA NA +MJ087874 Ansatrienin B C36H50N2O8 638.356716 NA MeJP NA NA +MJ087875 Robigocidin A C36H50N2O8 638.356716 NA MeJP NA NA +PJ011213 PPNRR C26H46N12O7 638.3613 NA PeJP NA NA +PJ011214 APPLLE C30H50N6O9 638.364 NA PeJP NA NA +MJ087876 1,3,11,22-Tetrahydroxyergosta-5,24-dien-26-oic acid, 26-O-?-D-Glucopyranosyl ester C34H54O11 638.366612 NA MeJP NA NA +MJ087877 Fusicoccin D; 12-Ac C34H54O11 638.366612 NA MeJP NA NA +MJ087878 Fusicoccin D; 19-Ac C34H54O11 638.366612 NA MeJP NA NA +MJ087879 Fusicoccin D; 2'-Ac C34H54O11 638.366612 NA MeJP NA NA +MJ087880 Fusicoccin D; 4'-Ac C34H54O11 638.366612 NA MeJP NA NA +PJ011215 LLKEH C29H50N8O8 638.3752 NA PeJP NA NA +PJ011216 VVKFF C34H50N6O6 638.3792 NA PeJP NA NA +MJ087881 1,1'-[(6-Methylheptylidene)bis(3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6,6'-diyl)]bis[2-methyl-1-propanone] C38H54O8 638.381868 NA MeJP NA NA +MJ087882 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Octadecatrienoyl, 8-(2-methylbutanoyl) C38H54O8 638.381868 NA MeJP NA NA +MJ087883 Ingenol; 3-(2E,4Z-Tetradecadienoyl), 5,20-di-Ac C38H54O8 638.381868 NA MeJP NA NA +MJ087884 Ingenol; 5-(2E,4Z-Tetradecadienoyl), 3,20-di-Ac C38H54O8 638.381868 NA MeJP NA NA +PJ011217 TLLHR C28H50N10O7 638.3864 NA PeJP NA NA +MJ087885 Octacosamicin B C32H54N4O9 638.389079 NA MeJP NA NA +PJ011218 AKKHR C27H50N12O6 638.3977 NA PeJP NA NA +PJ011219 SPPLLL C31H54N6O8 638.4003 NA PeJP NA NA +MJ087886 Cholest-5-ene-3,7,15,26-tetrol, 7-O-?-D-Galactopyranoside, 26-Ac C35H58O10 638.402998 NA MeJP NA NA +MJ087887 Ergosta-4,22-diene-3,6,8,15,16,26-hexol, 3-O-(2,3-Di-O-methyl-?-D-xylopyranoside) C35H58O10 638.402998 NA MeJP NA NA +MJ087888 Filipin; Filipin II C35H58O10 638.402998 NA MeJP NA NA +MJ087889 Kaimonolide B C35H58O10 638.402998 NA MeJP NA NA +MJ087890 Pregn-5-ene-3,14,20-triol, 3-O-[3-O-Methyl-?-D-fucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside] C35H58O10 638.402998 NA MeJP NA NA +PJ011220 GPPLKK C30H54N8O7 638.4116 NA PeJP NA NA +MJ087891 Secamine; 15,15',20,20'-Tetrahydro, 16-decarbomethoxy, 16-hydroxy C40H54N4O3 638.419591 NA MeJP NA NA +PJ011221 VKKKH C29H54N10O6 638.4228 NA PeJP NA NA +MJ087892 Sporidesmolides; Sporidesmolide I C33H58N4O8 638.425464 NA MeJP NA NA +PJ011222 APLLLL C32H58N6O7 638.4367 NA PeJP NA NA +MJ087893 20,24-Epoxydammarane-3,11,25-triol, 3-O-?-D-Glucopyranoside C36H62O9 638.439383 NA MeJP NA NA +MJ087894 3,20,21,28-Lupanetetrol, 3-O-?-D-Glucopyranoside C36H62O9 638.439383 NA MeJP NA NA +MJ087895 Cucurbit-5-ene-3,11,24,25-tetrol, 24-O-?-D-Glucopyranoside C36H62O9 638.439383 NA MeJP NA NA +MJ087896 Cucurbit-5-ene-3,11,24,25-tetrol, 3-O-?-D-Glucopyranoside C36H62O9 638.439383 NA MeJP NA NA +MJ087897 Dammar-24-ene-1,2,3,20-tetrol, 3-O-?-D-Glucopyranoside C36H62O9 638.439383 NA MeJP NA NA +MJ087898 Dammar-24-ene-2,3,12,20-tetrol, 20-O-?-D-Glucopyranoside C36H62O9 638.439383 NA MeJP NA NA +MJ087899 Dammar-24-ene-3,12,20,26-tetrol, 20-O-?-D-Glucopyranoside C36H62O9 638.439383 NA MeJP NA NA +MJ087900 Dammar-24-ene-3,6,12,20-tetrol, 20-O-?-D-Glucopyranoside C36H62O9 638.439383 NA MeJP NA NA +MJ087901 Dammar-24-ene-3,6,12,20-tetrol, 6-O-?-D-Glucopyranoside C36H62O9 638.439383 NA MeJP NA NA +MJ087902 Dammar-24-ene-3,6,20,26-tetrol, 26-O-?-D-Glucopyranoside C36H62O9 638.439383 NA MeJP NA NA +MJ087903 Dammar-24-ene-3,6,20,27-tetrol, 20-O-?-D-Glucopyranoside C36H62O9 638.439383 NA MeJP NA NA +MJ087904 Dammar-24-ene-3,7,20,27-tetrol, 20-O-?-D-Glucopyranoside C36H62O9 638.439383 NA MeJP NA NA +MJ087905 9,13-Epoxy-7-labden-15-oic acid, 17-Grindeloxy ester C40H62O6 638.454639 NA MeJP NA NA +MJ087906 Annoglaucin C37H66O8 638.475769 NA MeJP NA NA +MJ087907 Annonacin; 4-Ac C37H66O8 638.475769 NA MeJP NA NA +MJ087908 Annonin XIV C37H66O8 638.475769 NA MeJP NA NA +MJ087909 Asimicin; 24-Epimer, 27S-hydroxy C37H66O8 638.475769 NA MeJP NA NA +MJ087910 Asimicin; 24-Epimer, 28-hydroxy C37H66O8 638.475769 NA MeJP NA NA +MJ087911 Asimicin; 24-Epimer, 30-hydroxy C37H66O8 638.475769 NA MeJP NA NA +MJ087912 Asimicin; 24-Epimer, 31S-hydroxy C37H66O8 638.475769 NA MeJP NA NA +MJ087913 Asimicin; 24-Epimer, 32S-hydroxy C37H66O8 638.475769 NA MeJP NA NA +MJ087914 Bulladecin C37H66O8 638.475769 NA MeJP NA NA +MJ087915 Bullatacinone; 10?-Hydroxy C37H66O8 638.475769 NA MeJP NA NA +MJ087916 Bullatacinone; 12?-Hydroxy C37H66O8 638.475769 NA MeJP NA NA +MJ087917 Bullatacinone; 24-Epimer, 9R-hydroxy C37H66O8 638.475769 NA MeJP NA NA +MJ087918 Bullatacinone; 28S-Hydroxy C37H66O8 638.475769 NA MeJP NA NA +MJ087919 Bullatacinone; 29?-Hydroxy C37H66O8 638.475769 NA MeJP NA NA +MJ087920 Bullatacinone; 30S-Hydroxy C37H66O8 638.475769 NA MeJP NA NA +MJ087921 Bullatacinone; 31-Hydroxy C37H66O8 638.475769 NA MeJP NA NA +MJ087922 Bullatacinone; 32R-Hydroxy C37H66O8 638.475769 NA MeJP NA NA +MJ087923 Bullatalicinone C37H66O8 638.475769 NA MeJP NA NA +MJ087924 Bullatanocin C37H66O8 638.475769 NA MeJP NA NA +MJ087925 Bullatetrocin C37H66O8 638.475769 NA MeJP NA NA +MJ087926 Espelicin C37H66O8 638.475769 NA MeJP NA NA +MJ087927 Gigantecin C37H66O8 638.475769 NA MeJP NA NA +MJ087928 Gigantetrocin A; 4-Ac C37H66O8 638.475769 NA MeJP NA NA +MJ087929 Glabracin A C37H66O8 638.475769 NA MeJP NA NA +MJ087930 Glaucanetin; 10?,-Hydroxy C37H66O8 638.475769 NA MeJP NA NA +MJ087931 Microcarpacin A C37H66O8 638.475769 NA MeJP NA NA +MJ087932 Mucocin C37H66O8 638.475769 NA MeJP NA NA +MJ087933 Muricatin C C37H66O8 638.475769 NA MeJP NA NA +MJ087934 Panalicin C37H66O8 638.475769 NA MeJP NA NA +MJ087935 Purpureacin 2 C37H66O8 638.475769 NA MeJP NA NA +MJ087936 Purpurediolin C37H66O8 638.475769 NA MeJP NA NA +MJ087937 Purpurenin C37H66O8 638.475769 NA MeJP NA NA +MJ087938 Rollidecin A C37H66O8 638.475769 NA MeJP NA NA +MJ087939 Rollimusin C37H66O8 638.475769 NA MeJP NA NA +MJ087940 Salzmanin C37H66O8 638.475769 NA MeJP NA NA +MJ087941 Squamostatin A C37H66O8 638.475769 NA MeJP NA NA +MJ087942 Sylvaticin C37H66O8 638.475769 NA MeJP NA NA +MJ087943 Uvariasolin I C37H66O8 638.475769 NA MeJP NA NA +C08505 Purpureacin-1 C37H66O8 638.4758 NA KEGG NA NA +MJ087944 Antibiotic WB 3559A C36H66N2O7 638.487002 NA MeJP NA NA +HMDB07150 DG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C41H66O5 638.491028 NA HMDB2010 NA NA +HMDB07259 DG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C41H66O5 638.491028 NA HMDB2010 NA NA +HMDB07286 DG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C41H66O5 638.491028 NA HMDB2010 NA NA +HMDB07287 DG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C41H66O5 638.491028 NA HMDB2010 NA NA +HMDB07315 DG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C41H66O5 638.491028 NA HMDB2010 NA NA +HMDB07316 DG(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C41H66O5 638.491028 NA HMDB2010 NA NA +HMDB07342 DG(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/0:0) C41H66O5 638.491028 NA HMDB2010 NA NA +HMDB07343 DG(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0) C41H66O5 638.491028 NA HMDB2010 NA NA +HMDB07454 DG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C41H66O5 638.491028 NA HMDB2010 NA NA +HMDB07483 DG(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C41H66O5 638.491028 NA HMDB2010 NA NA +HMDB07510 DG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/0:0) C41H66O5 638.491028 NA HMDB2010 NA NA +HMDB07511 DG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/0:0) C41H66O5 638.491028 NA HMDB2010 NA NA +HMDB07539 DG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/0:0) C41H66O5 638.491028 NA HMDB2010 NA NA +HMDB07540 DG(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/0:0) C41H66O5 638.491028 NA HMDB2010 NA NA +HMDB07567 DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/0:0) C41H66O5 638.491028 NA HMDB2010 NA NA +HMDB07766 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/0:0) C41H66O5 638.491028 NA HMDB2010 NA NA +MetaCyc04003 2-octaprenylphenol [] C46H70O1 638.542667 NA metacyc NA NA +C05810 2-Octaprenylphenol C46H70O 638.5427 NA KEGG NA NA +HMDB11188 TG(12:0/12:0/12:0) C39H74O6 638.548523 NA HMDB2010 NA NA +MJ087945 Glycerol tridodecanoate C39H74O6 638.54854 NA MeJP NA NA +HMDB07086 DG(15:0/22:0/0:0) C40H78O5 638.5849 NA HMDB2010 NA NA +HMDB07590 DG(22:0/15:0/0:0) C40H78O5 638.5849 NA HMDB2010 NA NA +MJ087946 Ergost-5-en-3-ol, Hexadecanoyl C44H78O2 638.600181 NA MeJP NA NA +MJ087947 Bunamiodyl C15H16I3NO3 638.826423 NA MeJP NA NA +MJ087948 Iolidonic acid C15H16I3NO3 638.826423 NA MeJP NA NA +C03246 ADPribose 2'-phosphate C15H24N5O17P3 639.038 NA KEGG NA NA +MetaCyc04004 ADP-ribose 2'-phosphate [] C15H24N5O17P3 639.038004 NA metacyc NA NA +HMDB06336 ADPribose 2'-phosphate C15H24N5O17P3 639.03802 http://www.hmdb.ca/metabolites/HMDB06336 HMDB NA NA +HMDB06336 ADPribose 2'-phosphate C15H24N5O17P3 639.03802 HMDB06336 PFEM_hmdb_metabocards_official NA NA +HMDB06336 ADP-ribose 2'-phosphate C15H24N5O17P3 639.038025 NA HMDB2010 NA NA +PJ011223 GCCNDE C21H33N7O12S2 639.1629 NA PeJP NA NA +FL7AAIGL0012 Malvidin 3-(6''-p-coumarylglucoside) C32H31O14 639.17138 156577-22-9<BR>158189-28-7 knapsack NA NA +FL7ARXGL0006 Malvidin 3-glucoside-4-vinylguaiacol C32H31O14 639.17138 388089-40-5 knapsack NA NA +PJ011224 CCNDW C25H33N7O9S2 639.1781 NA PeJP NA NA +PJ011225 GGCCDW C25H33N7O9S2 639.1782 NA PeJP NA NA +PJ011226 SSCNDD C21H33N7O14S 639.1806 NA PeJP NA NA +PJ011227 GGSSCDD C21H33N7O14S 639.1807 NA PeJP NA NA +PJ011228 SPCCCQ C22H37N7O9S3 639.1815 NA PeJP NA NA +PJ011229 DDEMM C23H37N5O12S2 639.188 NA PeJP NA NA +FL7AAIGL0005 Malvidin 3-rutinoside C29H35O16 639.19251 39824-82-3 knapsack NA NA +FL7AAIGS0004 Malvidin 3-rhamnoside-5-glucoside C29H35O16 639.19251 53925-29-4 knapsack NA NA +FL7ACDGL0001 Rosinin C29H35O16 639.19251 20016-74-4 knapsack NA NA +PJ011230 CCMHF C26H37N7O6S3 639.1968 NA PeJP NA NA +PJ011231 GSCNEM C22H37N7O11S2 639.1993 NA PeJP NA NA +PJ011232 DDDEF C26H33N5O14 639.2024 NA PeJP NA NA +PJ011233 CDEHH C24H33N9O10S 639.2071 NA PeJP NA NA +PJ011234 GSCCDR C21H37N9O10S2 639.2105 NA PeJP NA NA +PJ011235 NNDDY C25H33N7O13 639.2136 NA PeJP NA NA +PJ011236 GGNDDY C25H33N7O13 639.2137 NA PeJP NA NA +PJ011237 SCNMW C26H37N7O8S2 639.2145 NA PeJP NA NA +PJ011238 SSSNDM C22H37N7O13S 639.217 NA PeJP NA NA +PJ011239 NNMMM C23H41N7O8S3 639.2179 NA PeJP NA NA +PJ011240 PCEEY C27H37N5O11S 639.221 NA PeJP NA NA +PJ011241 PDDMY C27H37N5O11S 639.2211 NA PeJP NA NA +PJ011242 TEEMM C24H41N5O11S2 639.2244 NA PeJP NA NA +PJ011243 PMMMM C25H45N5O6S4 639.2253 NA PeJP NA NA +PJ011244 CCQMR C22H41N9O7S3 639.2291 NA PeJP NA NA +MJ087949 Barminomycin I C33H37NO12 639.231575 NA MeJP NA NA +PJ011245 GSSTCW C26H37N7O10S 639.2323 NA PeJP NA NA +PJ011246 GSSSSSE C22H37N7O15 639.2348 NA PeJP NA NA +PJ011247 GSSQMM C23H41N7O10S2 639.2357 NA PeJP NA NA +PJ011248 AEEEY C27H37N5O13 639.2388 NA PeJP NA NA +PJ011249 PDMMF C28H41N5O8S2 639.2397 NA PeJP NA NA +PJ011250 CCCRR C21H41N11O6S3 639.2404 NA PeJP NA NA +PJ011251 LDMMM C25H45N5O8S3 639.243 NA PeJP NA NA +PJ011252 VEMMM C25H45N5O8S3 639.2431 NA PeJP NA NA +PJ011253 SEMHH C25H37N9O9S 639.2435 NA PeJP NA NA +PJ011254 GSSCMR C22H41N9O9S2 639.2469 NA PeJP NA NA +PJ011255 GCQFW C30H37N7O7S 639.2475 NA PeJP NA NA +PJ011256 GGACFW C30H37N7O7S 639.2476 NA PeJP NA NA +PJ011257 SSSSSW C26H37N7O12 639.25 NA PeJP NA NA +PJ011258 GGGGTEY C26H37N7O12 639.2501 NA PeJP NA NA +PJ011259 TCCKW C27H41N7O7S2 639.2509 NA PeJP NA NA +MJ087950 [[4'-[[7-Methyl-6-[(1-oxobutyl)amino]-2-propyl-3H-imidazo[4,5-b]pyridin-3-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]carbamic acid; Benzyl ester C35H37N5O5S 639.25154 NA MeJP NA NA +PJ011260 SSSTQM C23H41N7O12S 639.2534 NA PeJP NA NA +PJ011261 PDDFF C31H37N5O10 639.2541 NA PeJP NA NA +PJ011262 CQKMM C24H45N7O7S3 639.2543 NA PeJP NA NA +PJ011263 PTEMY C28H41N5O10S 639.2574 NA PeJP NA NA +PJ011264 PCHHF C29H37N9O6S 639.2588 NA PeJP NA NA +PJ011265 GSPNEH C25H37N9O11 639.2613 NA PeJP NA NA +PJ011266 CLMHH C26H41N9O6S2 639.2621 NA PeJP NA NA +PJ011267 SSSTCR C22H41N9O11S 639.2646 NA PeJP NA NA +PJ011268 GSQYW C30H37N7O9 639.2653 NA PeJP NA NA +PJ011269 CCKMR C23H45N9O6S3 639.2655 NA PeJP NA NA +C14724 Demethyl-desacetyl-rifamycin S C34H41NO11 639.268 NA KEGG NA NA +PJ011270 AQQMY C27H41N7O9S 639.2687 NA PeJP NA NA +MJ087951 Ashimycin B C23H41N7O14 639.271149 NA MeJP NA NA +PJ011271 GSSSTTT C23H41N7O14 639.2712 NA PeJP NA NA +PJ011272 GSSKMM C24H45N7O9S2 639.272 NA PeJP NA NA +PJ011273 NNQQH C24H37N11O10 639.2725 NA PeJP NA NA +PJ011274 SLEEY C28H41N5O12 639.2752 NA PeJP NA NA +PJ011275 PVMMY C29H45N5O7S2 639.2761 NA PeJP NA NA +PJ011276 SPNHW C29H37N9O8 639.2765 NA PeJP NA NA +PJ011277 GNMRY C26H41N9O8S 639.2799 NA PeJP NA NA +PJ011278 GCKFW C31H41N7O6S 639.2839 NA PeJP NA NA +PJ011279 SNKEY C27H41N7O11 639.2864 NA PeJP NA NA +PJ011280 SSSTKM C24H45N7O11S 639.2898 NA PeJP NA NA +PJ011281 PPTYY C32H41N5O9 639.2904 NA PeJP NA NA +PJ011282 PVDFY C32H41N5O9 639.2905 NA PeJP NA NA +PJ011283 CKKMM C25H49N7O6S3 639.2907 NA PeJP NA NA +PJ011284 PCQHR C25H41N11O7S 639.2911 NA PeJP NA NA +PJ011285 GAPCHR C25H41N11O7S 639.2912 NA PeJP NA NA +PJ011286 VVEMY C29H45N5O9S 639.2938 NA PeJP NA NA +PJ011287 SSQRY C26H41N9O10 639.2977 NA PeJP NA NA +PJ011288 GSKYW C31H41N7O8 639.3017 NA PeJP NA NA +C12246 Protorifamycin I C35H45NO10 639.3043 NA KEGG NA NA +C14721 34a-Deoxy-rifamycin W C35H45NO10 639.3043 NA KEGG NA NA +MJ087952 Rifamycin W; 8-Deoxy C35H45NO10 639.304346 NA MeJP NA NA +PJ011289 AQKMY C28H45N7O8S 639.305 NA PeJP NA NA +PJ011290 GAAKMY C28H45N7O8S 639.3051 NA PeJP NA NA +MJ087953 5-Oxoprolylasparaginylserylprolylarginylglycinamide C25H41N11O9 639.308871 NA MeJP NA NA +PJ011291 AQEHR C25H41N11O9 639.3089 NA PeJP NA NA +PJ011292 PVMFF C33H45N5O6S 639.3091 NA PeJP NA NA +PJ011293 VLMMF C30H49N5O6S2 639.3124 NA PeJP NA NA +PJ011294 GLQHW C30H41N9O7 639.3129 NA PeJP NA NA +PJ011295 ACKRY C27H45N9O7S 639.3163 NA PeJP NA NA +MJ087954 Phoslactomycin; Phoslactomycin E C32H50NO10P 639.317233 NA MeJP NA NA +PJ011296 GDHRR C24H41N13O8 639.3201 NA PeJP NA NA +PJ011297 SDKKY C28H45N7O10 639.3228 NA PeJP NA NA +PJ011298 AAHRW C29H41N11O6 639.3242 NA PeJP NA NA +PJ011299 PVVYY C33H45N5O8 639.3268 NA PeJP NA NA +PJ011300 PCKHR C26H45N11O6S 639.3275 NA PeJP NA NA +PJ011301 TLLMY C30H49N5O8S 639.3302 NA PeJP NA NA +PJ011302 SSKRY C27H45N9O9 639.334 NA PeJP NA NA +PJ011303 AAPPER C27H45N9O9 639.3341 NA PeJP NA NA +PJ011304 PPLQW C32H45N7O7 639.3381 NA PeJP NA NA +MJ087955 4-Methylaconitane-1,3,6,8,14,16,18-heptol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-cinnamoyl(E-), 8-Ac C36H49NO9 639.340732 NA MeJP NA NA +PJ011305 AKKMY C29H49N7O7S 639.3414 NA PeJP NA NA +PJ011306 PPPVCK C29H49N7O7S 639.3415 NA PeJP NA NA +PJ011307 PPDRR C26H45N11O8 639.3453 NA PeJP NA NA +PJ011308 GLKHW C31H45N9O6 639.3493 NA PeJP NA NA +PJ011309 PKKMH C28H49N9O6S 639.3527 NA PeJP NA NA +PJ011310 ATHRR C25H45N13O7 639.3565 NA PeJP NA NA +PJ011311 TTKKY C29H49N7O9 639.3592 NA PeJP NA NA +MJ087956 Apicidin; 9'-Hydroxy C34H49N5O7 639.363198 NA MeJP NA NA +PJ011312 VVLFY C34H49N5O7 639.3632 NA PeJP NA NA +PJ011313 GPPTLR C28H49N9O8 639.3704 NA PeJP NA NA +PJ011314 PPLKW C33H49N7O6 639.3745 NA PeJP NA NA +MJ087957 Moxidectin C37H53NO8 639.377117 NA MeJP NA NA +PJ011315 SLKHR C27H49N11O7 639.3817 NA PeJP NA NA +PJ011316 SPPVLK C30H53N7O8 639.3956 NA PeJP NA NA +MJ087958 Antibiotic M 2845; O3-Propanoyl C34H57NO10 639.398247 NA MeJP NA NA +PJ011317 AAPLLR C29H53N9O7 639.4068 NA PeJP NA NA +MJ087959 Enniatin B C33H57N3O9 639.40948 NA MeJP NA NA +C15740 Enniatin B C33H57N3O9 639.4095 NA KEGG NA NA +PJ011318 PVLRR C28H53N11O6 639.4181 NA PeJP NA NA +3254 bactenecin RLCRIVVIRVCR 639.43 MH2+ Inhouse_peptide NA peptide +PJ011319 GPLLLK C31H57N7O7 639.432 NA PeJP NA NA +MJ087960 Myxovirescin K1 C35H61NO9 639.434632 NA MeJP NA NA +EUR773 Lyso PC 22:0 [M-H+acetate]- C30H62NO7P 639.447492 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR773 Lyso PC 22:0 [M-H+acetate]- C30H62NO7P 639.447492 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR773 Lyso PC 22:0 [M-H+acetate]- C30H62NO7P 639.447492 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR773 Lyso PC 22:0 [M-H+acetate]- C30H62NO7P 639.447492 masses lipides attendues Inhousejuil11 NA NA +MJ087961 Pepstanone A C33H61N5O7 639.457099 NA MeJP NA NA +MJ087962 Hypericin; 2,5,9,12-Tetrachloro C30H12Cl4O8 639.928628 NA MeJP NA NA +MJ087963 Annamycin C26H25IO11 640.044155 NA MeJP NA NA +FL5FACGS0052 Quercetin 3-(2''-caffeylglucuronide) C30H24O16 640.10643 152269-97-1 knapsack NA NA +MJ087964 3,3',4',5,7-Pentahydroxyflavone; 3-O-[3,4-Dihydroxycinnamoyl-(?2)-?-D-glucuronopyranoside] C30H24O16 640.106434 NA MeJP NA NA +FL5FACGL0017 Quercetin 3-glucoside-7-glucuronide C27H28O18 640.12756 134981-92-3 knapsack NA NA +FL5FACGS0036 Quercetin 3-glucuronide-7-glucoside C27H28O18 640.12756 96400-39-4 knapsack NA NA +FL5FACGS0071 Quercetin 3-glucosyl-(1->2)-glucuronide C27H28O18 640.12756 - knapsack NA NA +FL5FFAGS0010 Herbacetin 3-glucuronide-8-glucoside C27H28O18 640.12756 113540-99-1 knapsack NA NA +MJ087965 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Galactopyranosyl-(1??)-?-D-glucuronopyranoside] C27H28O18 640.127564 NA MeJP NA NA +MJ087966 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucuronopyranoside] C27H28O18 640.127564 NA MeJP NA NA +MJ087967 3,4',5,7,8-Pentahydroxyflavone; 3-O-?-D-Glucuronoside, 8-O-?-D-glucopyranoside C27H28O18 640.127564 NA MeJP NA NA +MJ087968 Isoquercitrin; 7-O-?-D-Glucuronopyranoside C27H28O18 640.127564 NA MeJP NA NA +MJ087969 Quercimeritrin; 3-O-?-D-Glucuronopyranoside C27H28O18 640.127564 NA MeJP NA NA +MJ087970 Emethallicin F C34H28N2O7S2 640.133792 NA MeJP NA NA +MJ087971 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C31H28O15 640.14282 NA MeJP NA NA +MJ087972 3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 3-O-[(4-Hydroxycinnamoyl)-(?6)-?-D-glucopyranoside] C31H28O15 640.14282 NA MeJP NA NA +MJ087973 3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside] C31H28O15 640.14282 NA MeJP NA NA +MJ087974 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-galactopyranoside] C31H28O15 640.14282 NA MeJP NA NA +MJ087975 Hyperin; 6''-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) C31H28O15 640.14282 NA MeJP NA NA +FL5FACGL0060 Quercetin 3-(6''-ferulylglucoside) C31H28O15 640.14282 153874-56-7 knapsack NA NA +FL5FACGS0091 Quercetin 3-(6''-feruloylgalactoside);2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]oxy]-4H-1-benzopyran-4-one C31H28O15 640.14282 287384-26-3 knapsack NA NA +FL5FECGS0055 Patuletin 3-(6''-p-coumaroylglucoside);Quercetagetin 6-methyl ether 3-(6''-p-coumaroylglucoside);2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-6-methoxy-4H-1-benzopyran-4-one C31H28O15 640.14282 235741-39-6 knapsack NA NA +PJ011320 GCCDDE C21H32N6O13S2 640.1469 NA PeJP NA NA +PJ011321 CCDDW C25H32N6O10S2 640.1622 NA PeJP NA NA +FL3FECGS0026 6-Hydroxyluteolin 3'-methyl ether 7-sophoroside C28H32O17 640.16394 73338-83-7 knapsack NA NA +FL3FECGS0027 6-Hydroxyluteolin 4'-methyl ether 7-allosyl-(1->2)-glucoside C28H32O17 640.16394 92632-48-9 knapsack NA NA +FL3FFCGS0012 8-Hydroxyluteolin 3'-methyl ether 7-allosyl-(1->2)-glucoside C28H32O17 640.16394 98156-09-3 knapsack NA NA +FL3FFCGS0013 8-Hydroxyluteolin 4'-methyl ether 7-allosyl-(1->2)-glucoside C28H32O17 640.16394 114611-04-0 knapsack NA NA +FL3FFCGS0020 8-Hydroxyluteolin 3'-methyl ether 7-sophoroside C28H32O17 640.16394 151363-23-4 knapsack NA NA +FL5FADGA0003 Isorhamnetin 3-glucosyl-(1->2)-galactoside C28H32O17 640.16394 117383-33-2 knapsack NA NA +FL5FADGA0004 Isorhamnetin 3-glucosyl-(1->3)-galactoside C28H32O17 640.16394 139955-71-8 knapsack NA NA +FL5FADGA0005 Isorhamnetin 3-glucosyl-(1->6)-galactoside C28H32O17 640.16394 - knapsack NA NA +FL5FADGA0008 Isorhamnetin 3-galactoside-7-glucoside C28H32O17 640.16394 33906-93-3 knapsack NA NA +FL5FADGA0010 Isorhamnetin 3-galactoside-4'-glucoside C28H32O17 640.16394 72688-56-3 knapsack NA NA +FL5FADGL0005 Isorhamnetin 3-lactoside C28H32O17 640.16394 73815-19-7 knapsack NA NA +FL5FADGL0006 Isorhamnetin 3-galactosyl-(1->6)-glucoside C28H32O17 640.16394 32472-27-8 knapsack NA NA +FL5FADGL0007 Isorhamnetin 3-sophoroside C28H32O17 640.16394 74137-43-2 knapsack NA NA +FL5FADGL0008 Isorhamnetin 3-laminaribioside C28H32O17 640.16394 171828-59-4 knapsack NA NA +FL5FADGL0009 Isorhamnetin 3-gentiobioside C28H32O17 640.16394 17429-69-5 knapsack NA NA +FL5FADGL0014 Isorhamnetin 3,7-diglucoside C28H32O17 640.16394 6758-51-6 knapsack NA NA +FL5FADGL0016 Isorhamnetin 3,4'-diglucoside C28H32O17 640.16394 28288-98-4 knapsack NA NA +FL5FADGS0016 Isorhamnetin 7-sophoroside C28H32O17 640.16394 123131-39-5 knapsack NA NA +FL5FAEGA0002 Tamarixetin 3-glucosyl-(1->2)-galactoside;Quercetin 4'-methyl ether 3-glucosyl-(1->2)-galactoside;Thesioideoside;3-[(2-O-beta-D-Glucopyranosyl-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one C28H32O17 640.16394 145937-28-6 knapsack NA NA +FL5FAEGL0003 Tamarixetin 3,7-diglucoside;Quercetin 4'-methyl ether 3,7-diglucoside;3,7-Bis(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one C28H32O17 640.16394 165460-84-4 knapsack NA NA +FL5FAHGL0002 Laricitrin 3-rutinoside C28H32O17 640.16394 55481-90-8 knapsack NA NA +FL5FCCGA0002 Rhamnetin 3-galactosyl-(1->4)-galactoside C28H32O17 640.16394 59920-28-4 knapsack NA NA +FL5FCCGA0003 Rhamnetin 3-galactosyl-(1->6)-galactoside C28H32O17 640.16394 84323-24-0 knapsack NA NA +FL5FCCGA0006 Rhamnetin 3-galactoside-4'-glucoside C28H32O17 640.16394 - knapsack NA NA +FL5FCCGS0005 Rhamnetin 3-mannosyl-(1->2)-alloside C28H32O17 640.16394 137830-19-4 knapsack NA NA +FL5FCCGS0009 Quercetin 7-methyl ether 3-laminaribioside;Rhamnetin 3-laminaribioside;2-(3,4-Dihydroxyphenyl)-3-[(3-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C28H32O17 640.16394 194934-83-3 knapsack NA NA +FL5FCCGS0010 Quercetin 7-methyl ether 3-gentiobioside;Rhamnetin -gentiobioside;2-(3,4-Dihydroxyphenyl)-3-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C28H32O17 640.16394 178690-15-8 knapsack NA NA +FL5FDCGS0014 Madreselvin A;Quercetin 3-methyl ether 7-gentiobioside;2-(3,4-Dihydroxyphenyl)-7-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-3-methoxy-4H-1-benzopyran-4-one C28H32O17 640.16394 188682-83-9 knapsack NA NA +FL5FDCGS0015 Quercetin 3-methyl ether 7-galactosyl-(1->4)-glucoside;2-(3,4-Dihydroxyphenyl)-7-[(4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-3-methoxy-4H-1-benzopyran-4-one C28H32O17 640.16394 475587-76-9 knapsack NA NA +FL5FECGA0002 Patuletin-3-robinobioside C28H32O17 640.16394 90706-65-3 knapsack NA NA +FL5FECGL0005 Patuletin-3-rutinoside C28H32O17 640.16394 19833-26-2 knapsack NA NA +FL5FECGS0062 Quercetagetin 7-methyl ether 3-neohesperidoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one C28H32O17 640.16394 235741-65-8 knapsack NA NA +FL5FECGS0065 Axillarin 5-alpha-L-arabinosyl-(1->6)-glucoside;Quercetagetin 3,6-dimethyl ether 5-alpha-L-arabinosyl-(1->6)-glucoside C28H32O17 640.16394 - knapsack NA NA +FL5FFAGL0005 Sexangularetin 3-sophoroside C28H32O17 640.16394 114882-17-6 knapsack NA NA +FL5FFAGL0008 Sexangularetin 3,7-diglucoside C28H32O17 640.16394 106009-64-7 knapsack NA NA +FL5FFAGS0027 Herbacetin 7-methyl ether 8-sophoroside C28H32O17 640.16394 - knapsack NA NA +FL5FFCGA0005 Corniculatusin 3-robinobioside C28H32O17 640.16394 103839-18-5 knapsack NA NA +FL5FFCGL0005 Ranupenin 3-rutinoside C28H32O17 640.16394 85122-22-1 knapsack NA NA +FL5FFCGL0008 Haplogenin 3-rutinoside C28H32O17 640.16394 79384-26-2 knapsack NA NA +FL5FFCGS0013 Haploside F C28H32O17 640.16394 97564-56-2 knapsack NA NA +MJ087976 3',4',5,6,7-Pentahydroxyflavone; 4'-Me ether, 7-O-[?-D-allopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087977 3',4',5,6-Tetrahydroxy-7-methoxyflavone; 3-O-[?-D-Galactopyranosyl-?-D-glucopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087978 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087979 3',5,7,8-Tetrahydroxy-4'-methoxyflavone; 7-O-[?-D-Allopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087980 3,3',4',5,6,7-Hexahydroxyflavone; 7-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087981 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087982 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1??)-?-L-rhamnopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087983 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087984 3,3',4',5,7-Pentahydroxy-8-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-D-galactopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087985 3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087986 3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 8-O-?-D-glucopyranoside C28H32O17 640.163949 NA MeJP NA NA +MJ087987 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-galactopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087988 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087989 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087990 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-D-Mannopyranosyl-(1?2)-?-D-allopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087991 3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087992 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3,7-Di-O-?-D-glucopyranoside C28H32O17 640.163949 NA MeJP NA NA +MJ087993 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087994 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087995 3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087996 3,4',5,7,8-Pentahydroxy-3'-methoxyflavone; 3-O-Rutinoside C28H32O17 640.163949 NA MeJP NA NA +MJ087997 3,4',5,7,8-Pentahydroxy-3'-methoxyflavone; 7-O-Neohesperidoside C28H32O17 640.163949 NA MeJP NA NA +MJ087998 3,4',5,7,8-Pentahydroxyflavone; 7-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ087999 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Galactopyranoside, 7-O-?-D-glucopyranoside C28H32O17 640.163949 NA MeJP NA NA +MJ088000 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-Galactoside, 4'-O-?-D-glucopyranoside C28H32O17 640.163949 NA MeJP NA NA +MJ088001 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1??)-?-L-rhamnopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ088002 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ088003 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-galactopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ088004 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ088005 3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3,7-Di-O-?-D-glucopyranoside C28H32O17 640.163949 NA MeJP NA NA +MJ088006 3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-Sophoroside C28H32O17 640.163949 NA MeJP NA NA +MJ088007 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Glucofuranosyl C28H32O17 640.163949 NA MeJP NA NA +MJ088008 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Glucopyranosyl C28H32O17 640.163949 NA MeJP NA NA +MJ088009 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 3''-O-?-D-Glucopyranosyl C28H32O17 640.163949 NA MeJP NA NA +MJ088010 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 4''-O-?-D-Galactopyranosyl C28H32O17 640.163949 NA MeJP NA NA +MJ088011 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 4'-O-?-D-Glucopyranoside C28H32O17 640.163949 NA MeJP NA NA +MJ088012 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-D-Galactopyranosyl C28H32O17 640.163949 NA MeJP NA NA +MJ088013 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-D-Glucopyranosyl C28H32O17 640.163949 NA MeJP NA NA +MJ088014 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 7-O-?-D-Glucopyranoside C28H32O17 640.163949 NA MeJP NA NA +MJ088015 4',5,6,7-Tetrahydroxy-3'-methoxyflavone; 7-O-Sophoroside C28H32O17 640.163949 NA MeJP NA NA +MJ088016 4',5,7,8-Tetrahydroxy-3'-methoxyflavone; 7-O-[?-D-Allopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ088017 4',5,7,8-Tetrahydroxy-3'-methoxyflavone; 7-O-[?-D-Mannopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O17 640.163949 NA MeJP NA NA +MJ088018 Sucrose; 3'-O-(3,4,5-Trimethoxycinnamoyl), 6-O-(4-hydroxybenzoyl) C28H32O17 640.163949 NA MeJP NA NA +MJ088019 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3,5-Di-O-?-D-glucopyranoside C28H33O17(+) 640.163949 NA MeJP NA NA +MJ088020 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3,7-Di-?-D-glucopyranoside C28H33O17(+) 640.163949 NA MeJP NA NA +MJ088021 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C28H33O17(+) 640.163949 NA MeJP NA NA +MJ088022 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C28H33O17(+) 640.163949 NA MeJP NA NA +MJ088023 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C28H33O17(+) 640.163949 NA MeJP NA NA +PJ011322 SSCDDD C21H32N6O15S 640.1647 NA PeJP NA NA +PJ011323 SPCCCE C22H36N6O10S3 640.1655 NA PeJP NA NA +MJ088024 Violacetin C18H28N10O16 640.168474 NA MeJP NA NA +MJ088025 Chandonium(2+); Diiodide C26H46I2N2 640.175036 NA MeJP NA NA +PJ011324 GCCNNM C21H36N8O9S3 640.1768 NA PeJP NA NA +C09181 Chartreusin C32H32O14 640.1792 NA KEGG NA NA +MJ088026 Chartreusin C32H32O14 640.179205 NA MeJP NA NA +MJ088027 Haedoxan I; 6''-Methoxy C32H32O14 640.179205 NA MeJP NA NA +MJ088028 Homoglutathione; L-L-form, Disulfide C22H36N6O12S2 640.183262 NA MeJP NA NA +PJ011325 GSCDEM C22H36N6O12S2 640.1833 NA PeJP NA NA +PJ011326 GPCCMM C23H40N6O7S4 640.1842 NA PeJP NA NA +MJ088029 Bipowinone C38H28N2O8 640.184565 NA MeJP NA NA +PJ011327 SSCCNQ C21H36N8O11S2 640.1945 NA PeJP NA NA +PJ011328 NDDDY C25H32N6O14 640.1977 NA PeJP NA NA +PJ011329 SCDMW C26H36N6O9S2 640.1985 NA PeJP NA NA +PJ011330 GPCCDF C26H36N6O9S2 640.1986 NA PeJP NA NA +C10481 Orobanchoside C29H36O16 640.2003 NA KEGG NA NA +C10485 Plantamajoside C29H36O16 640.2003 NA KEGG NA NA +C10499 Suspensaside C29H36O16 640.2003 NA KEGG NA NA +C17528 beta-Hydroxyacteoside C29H36O16 640.2003 NA KEGG NA NA +MJ088030 1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[3,4-dihydroxy-E-cinnamoyl-(?5)-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C29H36O16 640.200335 NA MeJP NA NA +MJ088031 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Allopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C29H36O16 640.200335 NA MeJP NA NA +MJ088032 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?3)-[3,4-dihydroxycinnamoyl-(?6)]-?-D-glucopyranoside] C29H36O16 640.200335 NA MeJP NA NA +MJ088033 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?4)-3,4-dihydroxy-E-cinnamoyl-(?3)-?-D-glucopyranoside] C29H36O16 640.200335 NA MeJP NA NA +MJ088034 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?4)-3,4-dihydroxycinnamoyl-(?4)-?-D-glucopyranoside] C29H36O16 640.200335 NA MeJP NA NA +MJ088035 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?6)-[3,4-dihydroxy-E-cinnamoyl-(?2)]-?-D-glucopyranoside] C29H36O16 640.200335 NA MeJP NA NA +MJ088036 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?6)-[3,4-dihydroxy-E-cinnamoyl-(?3)]-?-D-glucopyranoside] C29H36O16 640.200335 NA MeJP NA NA +MJ088037 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?6)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C29H36O16 640.200335 NA MeJP NA NA +MJ088038 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(?3)-3,4-dihydroxy-E-cinnamoyl-(?4)-?-D-glucopyranoside] C29H36O16 640.200335 NA MeJP NA NA +MJ088039 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(?4)-3,4-dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C29H36O16 640.200335 NA MeJP NA NA +MJ088040 Campneoside I; O-De-Me C29H36O16 640.200335 NA MeJP NA NA +MJ088041 Forsythiaside; 2'-Hydroxy C29H36O16 640.200335 NA MeJP NA NA +MJ088042 Olivin; 4''-O-(Glucosylglucoside) C29H36O16 640.200335 NA MeJP NA NA +PJ011331 SSSDDM C22H36N6O14S 640.201 NA PeJP NA NA +PJ011332 NDMMM C23H40N6O9S3 640.2019 NA PeJP NA NA +MJ088043 Citbismine A C35H32N2O10 640.205695 NA MeJP NA NA +PJ011333 GSSSSCN C21H36N8O13S 640.2123 NA PeJP NA NA +PJ011334 CCEMR C22H40N8O8S3 640.2131 NA PeJP NA NA +PJ011335 GCCCQK C22H40N8O8S3 640.2132 NA PeJP NA NA +PJ011336 GSPCDY C26H36N6O11S 640.2163 NA PeJP NA NA +MJ088044 Nicomol C34H32N4O9 640.216928 NA MeJP NA NA +PJ011337 ACMMW C27H40N6O6S3 640.2172 NA PeJP NA NA +PJ011338 GSSEMM C23H40N6O11S2 640.2197 NA PeJP NA NA +PJ011339 CNMHH C24H36N10O7S2 640.221 NA PeJP NA NA +MJ088045 Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[?-D-xylopyranosyl-(1?3)-?-D-galactopyranoside] C26H40O18 640.221464 NA MeJP NA NA +MJ088046 Pregn-9(11)-ene-3,6,20-triol, 6-O-(6-Deoxy-?-D-glucopyranoside), 3,4'-di-O-sulfate C27H44O13S2 640.222332 NA MeJP NA NA +PJ011340 CNNQY C25H36N8O10S 640.2275 NA PeJP NA NA +PJ011341 GGGGGACY C25H36N8O10S 640.2276 NA PeJP NA NA +MJ088047 6-Chloro-11,20-epoxy-2,8,9,12,14-pentahydroxy-3,5(16)-briaradien-18,7-olide; O-(3-Methylbutanoyl), tri-Ac C31H41ClO12 640.228654 NA MeJP NA NA +PJ011342 SSCCNK C22H40N8O10S2 640.2309 NA PeJP NA NA +PJ011343 GCEFW C30H36N6O8S 640.2316 NA PeJP NA NA +PJ011344 SNEEY C26H36N6O13 640.234 NA PeJP NA NA +PJ011345 GGSEEY C26H36N6O13 640.2341 NA PeJP NA NA +PJ011346 SSMMW C27H40N6O8S2 640.2349 NA PeJP NA NA +MJ088048 2,3,4,8,9,11,12,17-Octahydroxy-5,13-briaradien-18,7-olide, 2,3,4,9,12-Penta-Ac C30H40O15 640.23672 NA MeJP NA NA +MJ088049 4,4',5,7-Tetrahydroxy-6,8-dimethylflavan; 4'-Me ether, 5,7-di-O-?-D-glucopyranoside C30H40O15 640.23672 NA MeJP NA NA +FL64ABGM0002 Eruberin B C30H40O15 640.23672 90146-69-3 knapsack NA NA +PJ011347 SSSTEM C23H40N6O13S 640.2374 NA PeJP NA NA +PJ011348 TQMMM C24H44N6O8S3 640.2383 NA PeJP NA NA +PJ011349 GSTCHH C24H36N10O9S 640.2388 NA PeJP NA NA +MJ088050 3,3',4,4',5-Pentahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, 3,5-Di-Me ether, bis(4-hydroxyphenylethylamide) C36H36N2O9 640.24208 NA MeJP NA NA +PJ011350 GSSNNY C25H36N8O12 640.2453 NA PeJP NA NA +PJ011351 PCCRY C26H40N8O7S2 640.2462 NA PeJP NA NA +PJ011352 CFWW C34H36N6O5S 640.2468 NA PeJP NA NA +PJ011353 GSEYW C30H36N6O10 640.2493 NA PeJP NA NA +PJ011354 TCMMR C23H44N8O7S3 640.2495 NA PeJP NA NA +MJ088051 Agrimols; Agrimol F C34H40O12 640.251976 NA MeJP NA NA +MJ088052 Filixic acids; Filixic acid ABB C34H40O12 640.251976 NA MeJP NA NA +MJ088053 Filixic acids; Filixic acid PBP C34H40O12 640.251976 NA MeJP NA NA +MJ088054 Trisabbreviatin BBB C34H40O12 640.251976 NA MeJP NA NA +MJ088055 Trisaemulins; Trisaemulin BAB C34H40O12 640.251976 NA MeJP NA NA +PJ011355 AQEMY C27H40N6O10S 640.2527 NA PeJP NA NA +MJ088056 Cryptophycin 28; 7?,8?-Epoxide C34H41ClN2O8 640.255144 NA MeJP NA NA +MJ088057 Cryptophycin 29; 7?,8?-Epoxide C34H41ClN2O8 640.255144 NA MeJP NA NA +MJ088058 Cryptophycin 49; 7?,8?-Epoxide C34H41ClN2O8 640.255144 NA MeJP NA NA +MJ088059 Cryptophycin 4; 6'-Chloro, 7R*,8R*-epoxide, O-de-Me C34H41ClN2O8 640.255144 NA MeJP NA NA +PJ011356 GTTTMM C24H44N6O10S2 640.2561 NA PeJP NA NA +PJ011357 SSSSHH C24H36N10O11 640.2565 NA PeJP NA NA +PJ011358 GGGGGAEH C24H36N10O11 640.2566 NA PeJP NA NA +PJ011359 SPDHW C29H36N8O9 640.2605 NA PeJP NA NA +PJ011360 GDMRY C26H40N8O9S 640.2639 NA PeJP NA NA +PJ011361 SYWW C34H36N6O7 640.2646 NA PeJP NA NA +MJ088060 1,2,6,9-Tetrahydroxydihydro-?-agarofuran, 2,6,9-Tribenzoyl, 1-Ac C38H40O9 640.267232 NA MeJP NA NA +MJ088061 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 1,8,9-Tribenzoyl, 6-Ac C38H40O9 640.267232 NA MeJP NA NA +MJ088062 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 6,8,9-Tribenzoyl, 1-Ac C38H40O9 640.267232 NA MeJP NA NA +MJ088063 Furobinordentatin C38H40O9 640.267232 NA MeJP NA NA +PJ011362 AAMYW C31H40N6O7S 640.2679 NA PeJP NA NA +MJ088064 Ociltide C31H40N6O7S 640.267918 NA MeJP NA NA +PJ011363 GAPCFF C31H40N6O7S 640.268 NA PeJP NA NA +PJ011364 SDKEY C27H40N6O12 640.2704 NA PeJP NA NA +PJ011365 PPPTDD C27H40N6O12 640.2705 NA PeJP NA NA +PJ011366 PCKMY C28H44N6O7S2 640.2713 NA PeJP NA NA +PJ011367 GNQHW C28H36N10O8 640.2718 NA PeJP NA NA +MJ088065 [[4'-[(2-Ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-5-[(3-methoxyphenyl)methyl][1,1'-biphenyl]-2-yl]sulfonyl]carbamic acid; Butyl ester C36H40N4O5S 640.271941 NA MeJP NA NA +MJ088066 1,4,6,15-Tetrahydroxy-11(13)-eudesmen-12-oic acid, 1-[2-Hydroxy-3-(4-hydroxyphenyl)propanoyl], 15-O-?-D-glucopyranoside, Me ester C31H44O14 640.273106 NA MeJP NA NA +PJ011368 STTTTM C24H44N6O12S 640.2738 NA PeJP NA NA +PJ011369 TKMMM C25H48N6O7S3 640.2747 NA PeJP NA NA +PJ011370 PCEHR C25H40N10O8S 640.2752 NA PeJP NA NA +PJ011371 APMHW C30H40N8O6S 640.2792 NA PeJP NA NA +PJ011372 SSERY C26H40N8O11 640.2817 NA PeJP NA NA +PJ011373 CCLFR C27H44N8O6S2 640.2825 NA PeJP NA NA +PJ011374 GMMFR C27H44N8O6S2 640.2826 NA PeJP NA NA +PJ011375 PNHHH C27H36N12O7 640.283 NA PeJP NA NA +PJ011376 ATTYW C31H40N6O9 640.2857 NA PeJP NA NA +MJ088067 Nimbolinin; 21,23-Dihydro, 21-oxo, 12-ketone(lactone), 7-tigloyl, 1,3-di-Ac C35H44O11 640.288362 NA MeJP NA NA +PJ011377 AKEMY C28H44N6O9S 640.2891 NA PeJP NA NA +MJ088068 Cimiciphytine; O16-De-Me C36H40N4O7 640.289699 NA MeJP NA NA +MJ088069 Cimiciphytine; O17-De-Me C36H40N4O7 640.289699 NA MeJP NA NA +PJ011378 AEEHR C25H40N10O10 640.2929 NA PeJP NA NA +7717 NA SKWDNFRGSW~ 640.2959 MH2+ Inhouse_peptide NA peptide +PJ011379 GLEHW C30H40N8O8 640.2969 NA PeJP NA NA +7033 synthetic peptide from alpha-gliadin QQNPQAQGSVQP 640.29745 MH2+ Inhouse_peptide NA peptide +PJ011380 ATMRY C27H44N8O8S 640.3003 NA PeJP NA NA +PJ011381 AAFFW C35H40N6O6 640.301 NA PeJP NA NA +PJ011382 SNQHR C24H40N12O9 640.3041 NA PeJP NA NA +PJ011383 GGSQHR C24H40N12O9 640.3042 NA PeJP NA NA +PJ011384 PCKFF C32H44N6O6S 640.3043 NA PeJP NA NA +PJ011385 TTKEY C28H44N6O11 640.3068 NA PeJP NA NA +PJ011386 CLKMF C29H48N6O6S2 640.3077 NA PeJP NA NA +PJ011387 GNKHW C29H40N10O7 640.3082 NA PeJP NA NA +MJ088070 2,3,4,8,9,11,12,17-Octahydroxy-5,13-briaradien-18,7-olide, 4-Octanoyl, 2,9-di-Ac C32H48O13 640.309491 NA MeJP NA NA +MJ088071 4,18:11,16:15,16-Triepoxy-2,6,15,19-clerodanetetrol, 19-[3S-(3S-Acetoxybutanoyloxy)butanoyl], 6-Ac C32H48O13 640.309491 NA MeJP NA NA +PJ011388 PTMHR C26H44N10O7S 640.3115 NA PeJP NA NA +PJ011389 LHWW C34H40N8O5 640.3122 NA PeJP NA NA +MJ088072 Chenabinol; Me ether C38H44N2O7 640.314851 NA MeJP NA NA +MJ088073 Neothalibrine; 2'-N-Oxide (?-) C38H44N2O7 640.314851 NA MeJP NA NA +MJ088074 Thalirugine C38H44N2O7 640.314851 NA MeJP NA NA +PJ011390 TTTRY C27H44N8O10 640.3181 NA PeJP NA NA +PJ011391 PPLEW C32H44N6O8 640.3221 NA PeJP NA NA +MJ088075 Nimbolinin B; 12-Me ether C36H48O10 640.324747 NA MeJP NA NA +PJ011392 SLKMY C29H48N6O8S 640.3254 NA PeJP NA NA +PJ011393 VTKMY C29H48N6O8S 640.3255 NA PeJP NA NA +PJ011394 SLEHR C26H44N10O9 640.3293 NA PeJP NA NA +PJ011395 SVLHW C31H44N8O7 640.3333 NA PeJP NA NA +PJ011396 LLQMH C28H48N8O7S 640.3367 NA PeJP NA NA +PJ011397 SNKHR C25H44N12O8 640.3405 NA PeJP NA NA +PJ011398 SPPVLE C29H48N6O10 640.3432 NA PeJP NA NA +MJ088076 Pyroglutamylglycylleucylargininyltryptophanamide; L-L-L-L-L-form C30H44N10O6 640.344529 NA MeJP NA NA +PJ011399 FRRY C30H44N10O6 640.3446 NA PeJP NA NA +MJ088077 Cotylenin D C33H52O12 640.345877 NA MeJP NA NA +MJ088078 Spirost-25(27)-ene-1,2,3,4,5-pentol, 5-O-?-D-Glucopyranoside C33H52O12 640.345877 NA MeJP NA NA +MJ088079 Spirostane-2,3,5,6,24-pentol, 6-Ketone, 24-O-?-D-glucopyranoside C33H52O12 640.345877 NA MeJP NA NA +MJ088080 Bufogenin; 3-O-(Argininylsuccinoyl) C34H48N4O8 640.347214 NA MeJP NA NA +PJ011400 VVMHR C27H48N10O6S 640.3479 NA PeJP NA NA +PJ011401 ASTLLH C28H48N8O9 640.3544 NA PeJP NA NA +PJ011402 GTTLLH C28H48N8O9 640.3545 NA PeJP NA NA +PJ011403 ALKFY C33H48N6O7 640.3585 NA PeJP NA NA +MJ088081 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 23-O-(3,4,5-Trihydroxybenzoyl) C37H52O9 640.361133 NA MeJP NA NA +MJ088082 Milbemycin ?1; 26-O-(3-Methyl-2-pentenoyloxy) C37H52O9 640.361133 NA MeJP NA NA +MJ088083 Milbemycin ?3; 26-(Tigloyloxy) C37H52O9 640.361133 NA MeJP NA NA +MJ088084 Milbemycin ?3; 26-O-(3-Methyl-2-butenoyloxy) C37H52O9 640.361133 NA MeJP NA NA +PJ011404 APPILM C30H52N6O7S 640.3618 NA PeJP NA NA +PJ011405 APPLLM C30H52N6O7S 640.3619 NA PeJP NA NA +PJ011406 GSPPKR C27H48N10O8 640.3657 NA PeJP NA NA +PJ011407 PLKHF C32H48N8O6 640.3697 NA PeJP NA NA +PJ011408 LLKMH C29H52N8O6S 640.3731 NA PeJP NA NA +PJ011409 PVNRR C26H48N12O7 640.3769 NA PeJP NA NA +PJ011410 GPLLLE C30H52N6O9 640.3796 NA PeJP NA NA +MJ088085 Pregn-5-ene-3,14,20-triol, 3-O-[3-O-Methyl-?-D-galactopyranosyl-(1?4)-?-D-digitoxopyranoside] C34H56O11 640.382262 NA MeJP NA NA +PJ011411 GPRRR C25H48N14O6 640.3882 NA PeJP NA NA +PJ011412 APPTKK C29H52N8O8 640.3908 NA PeJP NA NA +PJ011413 GGGPLLK C29H52N8O8 640.3909 NA PeJP NA NA +PJ011414 PLLLW C34H52N6O6 640.3949 NA PeJP NA NA +MJ088086 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-(9,12-Octadecadienoyl), 8-(2-methylbutanoyl) C38H56O8 640.397518 NA MeJP NA NA +PJ011415 PLQKR C28H52N10O7 640.4021 NA PeJP NA NA +PJ011416 SPVLLL C31H56N6O8 640.416 NA PeJP NA NA +C17024 Mosesin 4 C35H60O10 640.4186 NA KEGG NA NA +MJ088087 Cholest-4-ene-3,7,12,26-tetrol, 4,5-Dihydro, 7-O-?-D-galactopyranoside, 26-Ac C35H60O10 640.418648 NA MeJP NA NA +MJ088088 Ergost-4-ene-3,6,8,15,16,26-hexol, 3-(2,3-Di-O-methyl-?-D-xylopyranoside) C35H60O10 640.418648 NA MeJP NA NA +MJ088089 Monensin; Monensin B, 26-Deoxy C35H60O10 640.418648 NA MeJP NA NA +MJ088090 Stigmast-4-ene-3,6,8,15,16,26-hexol, 3-O-(2-O-Methyl-?-D-xylopyranoside) C35H60O10 640.418648 NA MeJP NA NA +PJ011417 GPVLKK C30H56N8O7 640.4272 NA PeJP NA NA +MJ088091 Cemadotin C35H56N6O5 640.431218 NA MeJP NA NA +PJ011418 PLKKR C29H56N10O6 640.4385 NA PeJP NA NA +MJ088092 2,6,11,15-Tetramethyl-2,4,6,8,10,12,14,16-octadecaoctaenedioic acid, 18-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenoyl) ester, 1-Me ester C43H60O4 640.44916 NA MeJP NA NA +MJ088093 Flexixanthin; 2'-Methoxy, 1',3-di-Me ether C43H60O4 640.44916 NA MeJP NA NA +PJ011419 GLLLLL C32H60N6O7 640.4524 NA PeJP NA NA +MJ088094 2,6,10,15,19,23-Hexamethyl-2,6,10,12,14,18,22-tetracosaheptaene; 10,11,12,13,14,15-Hexahydro, 10,11,14,15-tetrahydroxy, 11-O-?-D-mannopyranoside C36H64O9 640.455033 NA MeJP NA NA +MJ088095 Pleuromutilin; 1'-O-(9,12-Octadecadienoyl) C40H64O6 640.470289 NA MeJP NA NA +MJ088096 Scapaundulin B C40H64O6 640.470289 NA MeJP NA NA +MJ088097 Montanacin A C37H68O8 640.491419 NA MeJP NA NA +MJ088098 Otivarin C37H68O8 640.491419 NA MeJP NA NA +MJ088099 Antibiotic WB 3559C C36H68N2O7 640.502652 NA MeJP NA NA +MJ088100 Topostin D 640 C36H68N2O7 640.502652 NA MeJP NA NA +HMDB05237 DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] C41H68O5 640.50665 http://www.hmdb.ca/metabolites/HMDB05237 HMDB NA NA +HMDB05237 DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] C41H68O5 640.50665 HMDB05237 PFEM_hmdb_metabocards_official NA NA +HMDB07121 DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07148 DG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07149 DG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07201 DG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07230 DG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07257 DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07258 DG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07284 DG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07285 DG(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07313 DG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07314 DG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07341 DG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07425 DG(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07452 DG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07453 DG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07481 DG(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07482 DG(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07509 DG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07538 DG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07565 DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07566 DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07708 DG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07737 DG(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +HMDB07765 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/0:0) C41H68O5 640.506653 NA HMDB2010 NA NA +MJ088101 4,21,27,42-Pentatetracontatetraene-1,12,15,44-tetrayne-3,14-diol C45H68O2 640.521931 NA MeJP NA NA +MJ088102 3-(4-Hydroxyphenyl)-2-propenoic acid, Tetratriacontyl ester C43H76O3 640.579446 NA MeJP NA NA +MJ088103 3-Amino-2,4,6-triiodobenzoic acid; N,N-Di-Ac, Propyl ester C14H14I3NO4 640.805688 NA MeJP NA NA +MJ088104 Tyropanoic acid C15H18I3NO3 640.842073 NA MeJP NA NA +C13511 Ferric gluconate C11H16O12SR2 641.0864 NA KEGG NA NA +C13512 Transferred to D02011 C11H16O12SR2 641.0864 NA KEGG NA NA +C13513 Transferred to D02012 C11H16O12SR2 641.0864 NA KEGG NA NA +C13514 Transferred to D02013 C11H16O12SR2 641.0864 NA KEGG NA NA +MJ088105 4-(Methylthio)-3-butenyl glucosinolate; S-Oxide, 6'-(4-hydroxy-3,5-dimethoxycinnamoyl) C23H31NO14S3 641.090666 NA MeJP NA NA +MJ088106 Lamellarin H; 7-Methoxy, 5?-hydroxy, 5,6-dihydro, 8,9,13,21-tetra-Me ether, 20-sulfate C30H27NO13S 641.12031 NA MeJP NA NA +PJ011420 PCCCCN C21H35N7O8S4 641.143 NA PeJP NA NA +PJ011421 GCCNDM C21H35N7O10S3 641.1608 NA PeJP NA NA +MJ088107 Deacylconvolutamide; N-(8-Eicosenoyl) C30H45Br2NO4 641.171534 NA MeJP NA NA +FL7AAHGL0002 Petunidin 3-sophoroside C28H33O17 641.17177 - knapsack NA NA +FL7AAHGL0003 Petunidin 3-gentiobioside C28H33O17 641.17177 39814-18-1 knapsack NA NA +FL7AAHGL0005 Petunin;Petunidin 3,5-di-O-beta-D-glucoside C28H33O17 641.17177 25846-73-5 knapsack NA NA +FL7AAHGL0021 Petunidin 3,7-di-glucoside C28H33O17 641.17177 887330-48-5 knapsack NA NA +PJ011422 CCCQW C25H35N7O7S3 641.176 NA PeJP NA NA +PJ011423 SSCCNE C21H35N7O12S2 641.1785 NA PeJP NA NA +PJ011424 DDDDY C25H31N5O15 641.1817 NA PeJP NA NA +PJ011425 DDMMM C23H39N5O10S3 641.1859 NA PeJP NA NA +PJ011426 GSSCCW C25H35N7O9S2 641.1938 NA PeJP NA NA +MJ088108 Geodiamolide A C28H40IN3O6 641.196179 NA MeJP NA NA +PJ011427 GSSSSCD C21H35N7O14S 641.1963 NA PeJP NA NA +PJ011428 GSCNMM C22H39N7O9S3 641.1972 NA PeJP NA NA +MJ088109 Cyclothialidines; Cyclothialidine A C26H35N5O12S 641.200292 NA MeJP NA NA +C12057 Cyclothialidine C26H35N5O12S 641.2003 NA KEGG NA NA +PJ011429 DDDMF C26H35N5O12S 641.2003 NA PeJP NA NA +PJ011430 CDMHH C24H35N9O8S2 641.205 NA PeJP NA NA +PJ011431 GTCCCR C21H39N9O8S3 641.2084 NA PeJP NA NA +PJ011432 CNNEY C25H35N7O11S 641.2115 NA PeJP NA NA +PJ011433 GGCNEY C25H35N7O11S 641.2116 NA PeJP NA NA +PJ011434 CCCKW C26H39N7O6S3 641.2124 NA PeJP NA NA +PJ011435 SSSCQM C22H39N7O11S2 641.2149 NA PeJP NA NA +PJ011436 SDEEY C26H35N5O14 641.2181 NA PeJP NA NA +PJ011437 PCEMY C27H39N5O9S2 641.2189 NA PeJP NA NA +PJ011438 TEMMM C24H43N5O9S3 641.2223 NA PeJP NA NA +PJ011439 GPCNDH C24H35N9O10S 641.2228 NA PeJP NA NA +PJ011440 SSSCCR C21H39N9O10S2 641.2262 NA PeJP NA NA +PJ011441 GCNYW C29H35N7O8S 641.2268 NA PeJP NA NA +PJ011442 GSSNDY C25H35N7O13 641.2293 NA PeJP NA NA +PJ011443 CNQMF C26H39N7O8S2 641.2302 NA PeJP NA NA +PJ011444 GSSSSSM C22H39N7O13S 641.2327 NA PeJP NA NA +PJ011445 ASCCKM C23H43N7O8S3 641.2335 NA PeJP NA NA +PJ011446 GTCCKM C23H43N7O8S3 641.2336 NA PeJP NA NA +PJ011447 AEEMY C27H39N5O11S 641.2367 NA PeJP NA NA +PJ011448 NNEEH C24H35N9O12 641.2405 NA PeJP NA NA +PJ011449 GGNEEH C24H35N9O12 641.2406 NA PeJP NA NA +PJ011450 VMMMM C25H47N5O6S4 641.2409 NA PeJP NA NA +PJ011451 CCNFR C25H39N9O7S2 641.2414 NA PeJP NA NA +PJ011452 SNQMY C26H39N7O10S 641.2479 NA PeJP NA NA +PJ011453 SSSSSST C22H39N7O15 641.2504 NA PeJP NA NA +PJ011454 SSSCKM C23H43N7O10S2 641.2513 NA PeJP NA NA +PJ011455 GSNNNH C23H35N11O11 641.2518 NA PeJP NA NA +PJ011456 PPCYY C31H39N5O8S 641.252 NA PeJP NA NA +PJ011457 TTEEY C27H39N5O13 641.2545 NA PeJP NA NA +PJ011458 PTMMY C28H43N5O8S2 641.2553 NA PeJP NA NA +PJ011459 GNEHW C28H35N9O9 641.2558 NA PeJP NA NA +PJ011460 SCNRY C25H39N9O9S 641.2592 NA PeJP NA NA +MJ088110 1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl), 8,9-dibenzoyl, 6-Ac C37H39NO9 641.262481 NA MeJP NA NA +MJ088111 1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 8,9-dibenzoyl, 1-Ac C37H39NO9 641.262481 NA MeJP NA NA +PJ011461 GSSTQY C26H39N7O12 641.2657 NA PeJP NA NA +PJ011462 CNKMF C27H43N7O7S2 641.2666 NA PeJP NA NA +PJ011463 PDHHH C27H35N11O8 641.267 NA PeJP NA NA +PJ011464 APEYY C31H39N5O10 641.2697 NA PeJP NA NA +PJ011465 NHWW C32H35N9O6 641.2711 NA PeJP NA NA +PJ011466 SLEMY C28H43N5O10S 641.2731 NA PeJP NA NA +PJ011467 AMHHF C29H39N9O6S 641.2744 NA PeJP NA NA +PJ011468 NDKEH C25H39N9O11 641.2769 NA PeJP NA NA +PJ011469 GGGGGGSPP C25H39N9O11 641.277 NA PeJP NA NA +PJ011470 GQQFY C30H39N7O9 641.2809 NA PeJP NA NA +PJ011471 PPNEW C30H39N7O9 641.281 NA PeJP NA NA +C14725 Demethyl-desacetyl-rifamycin SV C34H43NO11 641.2836 NA KEGG NA NA +MJ088112 3,5,7,9,15-Pentahydroxy-6(17),11-jatrophadien-14-one, 9-(3-Pyridinecarbonyl), 3,5,7,15-tetra-Ac C34H43NO11 641.283611 NA MeJP NA NA +PJ011472 SNKMY C27H43N7O9S 641.2843 NA PeJP NA NA +PJ011473 SNEHR C24H39N11O10 641.2882 NA PeJP NA NA +PJ011474 PCLFY C32H43N5O7S 641.2883 NA PeJP NA NA +PJ011475 VVMMY C29H47N5O7S2 641.2917 NA PeJP NA NA +PJ011476 GDKHW C29H39N9O8 641.2922 NA PeJP NA NA +PJ011477 LNQMH C26H43N9O8S 641.2955 NA PeJP NA NA +PJ011478 VQQMH C26H43N9O8S 641.2956 NA PeJP NA NA +PJ011479 GPPWW C34H39N7O6 641.2962 NA PeJP NA NA +7710 NA DWNKDLHIWG 641.29785 MH2+ Inhouse_peptide NA peptide +MJ088113 Lipoxin C4 C30H47N3O10S 641.298215 NA MeJP NA NA +PJ011480 GSSTKY C27H43N7O11 641.3021 NA PeJP NA NA +PJ011481 GSHRW C28H39N11O7 641.3034 NA PeJP NA NA +MJ088114 Rubellidin 3.2 C32H43N5O9 641.306077 NA MeJP NA NA +PJ011482 SPLYY C32H43N5O9 641.3061 NA PeJP NA NA +PJ011483 AQMHR C25H43N11O7S 641.3068 NA PeJP NA NA +PJ011484 GSPPER C26H43N9O10 641.3133 NA PeJP NA NA +PJ011485 PPDKW C31H43N7O8 641.3173 NA PeJP NA NA +MJ088115 Cyclosquamosin A C31H43N7O8 641.317311 NA MeJP NA NA +PJ011486 ACHRR C24H43N13O6S 641.318 NA PeJP NA NA +MJ088116 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-(3S-Dimethylamino-2S-hydroxy-3-phenylpropanoyl), 2,13-di-Ac C35H47NO10 641.319996 NA MeJP NA NA +MJ088117 Austrotaxine; O2',O13,O14-Tri-de-Ac C35H47NO10 641.319996 NA MeJP NA NA +MJ088118 Proansamycin B-M1 C35H47NO10 641.319996 NA MeJP NA NA +MJ088119 Protorifamycin I-MI; Deoxy C35H47NO10 641.319996 NA MeJP NA NA +C10619 Taxine A C35H47NO10 641.32 NA KEGG NA NA +C12176 Proansamycin X C35H47NO10 641.32 NA KEGG NA NA +PJ011487 TCKKY C28H47N7O8S 641.3207 NA PeJP NA NA +MJ088120 Cycloaspeptide A C36H43N5O6 641.321334 NA MeJP NA NA +PJ011488 SDKHR C25H43N11O9 641.3245 NA PeJP NA NA +PJ011489 GATTHR C25H43N11O9 641.3246 NA PeJP NA NA +PJ011490 VVMFF C33H47N5O6S 641.3247 NA PeJP NA NA +PJ011491 SPPRW C30H43N9O7 641.3286 NA PeJP NA NA +MJ088121 Neooxazolomycin C34H47N3O9 641.33123 NA MeJP NA NA +PJ011492 AAPPMR C27H47N9O7S 641.3319 NA PeJP NA NA +PJ011493 GPPCLR C27H47N9O7S 641.332 NA PeJP NA NA +MJ088122 Pipotiazine; O-(10-Undecenoyl) C35H51N3O4S2 641.332098 NA MeJP NA NA +MJ088123 Phoslactomycin; Leustroducsin A C32H52NO10P 641.332883 NA MeJP NA NA +MJ088124 Phoslactomycin; Phoslactomycin F C32H52NO10P 641.332883 NA MeJP NA NA +PJ011494 SSHRR C24H43N13O8 641.3358 NA PeJP NA NA +PJ011495 APPTKE C28H47N7O10 641.3385 NA PeJP NA NA +MJ088125 Polymastiamide B; 4'-Demethoxy, ?24-isomer C36H51NO7S 641.338623 NA MeJP NA NA +PJ011496 VLHHH C29H43N11O6 641.3398 NA PeJP NA NA +7017 synthetic peptide from alpha-gliadin LQQQLIPCMDVV 641.34065 MH2+ Inhouse_peptide NA peptide +HMDB02472 (3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid C32H51NO12 641.341125 NA HMDB2010 NA NA +HMDB02472 (3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid C32H51NO12 641.34113 http://www.hmdb.ca/metabolites/HMDB02472 HMDB NA NA +HMDB02472 (3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid C32H51NO12 641.34113 HMDB02472 PFEM_hmdb_metabocards_official NA NA +PJ011497 ALLYY C33H47N5O8 641.3425 NA PeJP NA NA +PJ011498 AKMHR C26H47N11O6S 641.3432 NA PeJP NA NA +PJ011499 PLQER C27H47N9O9 641.3497 NA PeJP NA NA +PJ011500 PVLQW C32H47N7O7 641.3537 NA PeJP NA NA +MJ088126 Antibiotic WF 1360A C36H51NO9 641.356382 NA MeJP NA NA +PJ011501 GPPLKM C29H51N7O7S 641.3571 NA PeJP NA NA +PJ011502 PVDRR C26H47N11O8 641.3609 NA PeJP NA NA +PJ011503 GGGAPKR C26H47N11O8 641.361 NA PeJP NA NA +PJ011504 APLRW C31H47N9O6 641.365 NA PeJP NA NA +PJ011505 VKKMH C28H51N9O6S 641.3683 NA PeJP NA NA +PJ011506 SPPTLK C29H51N7O9 641.3748 NA PeJP NA NA +PJ011507 GPVLKE C29H51N7O9 641.3749 NA PeJP NA NA +3400 NA WKVIP 641.377 ACE inhibitor Inhouse_peptide NA peptide +MJ088127 N-[N-[N-[(2,6-Dimethyl-1-piperidinyl)carbonyl]-4-methyl-L-leucyl]-1-(methoxycarbonyl)-D-tryptophyl]-D-norleucine C34H51N5O7 641.378849 NA MeJP NA NA +PJ011508 PLKER C28H51N9O8 641.3861 NA PeJP NA NA +PJ011509 PVLKW C33H51N7O6 641.3901 NA PeJP NA NA +PJ011510 PTLRR C27H51N11O7 641.3973 NA PeJP NA NA +MJ088128 Antibiotic SF 1902A3 C31H55N5O9 641.399978 NA MeJP NA NA +PJ011511 APTLLK C30H55N7O8 641.4112 NA PeJP NA NA +PJ011512 GGGLLLL C30H55N7O8 641.4113 NA PeJP NA NA +PJ011513 LLLQR C29H55N9O7 641.4225 NA PeJP NA NA +PJ011514 VVLRR C28H55N11O6 641.4337 NA PeJP NA NA +MJ088129 Squalamine; 24-Desulfo, 24-ketone, 26-sulfooxy C34H63N3O6S 641.443757 NA MeJP NA NA +PJ011515 GVLLLK C31H59N7O7 641.4476 NA PeJP NA NA +PJ011516 LLLKR C30H59N9O6 641.4589 NA PeJP NA NA +MJ088130 Procidin S 735 C33H63N5O7 641.472749 NA MeJP NA NA +C13845 1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol C41H71NO4 641.5383 NA KEGG NA NA +MJ088131 2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxytricosanoyl) C39H79NO5 641.595824 NA MeJP NA NA +MJ088132 2-Amino-1,3,4-pentadecanetriol, N-(2R-Hydroxy-22-methyltricosanoyl) C39H79NO5 641.595824 NA MeJP NA NA +2576 calreticulin YQLLQELCCQHL 641.8365 MH2+ Inhouse_peptide NA peptide +FL5FECGS0054 Quercetagetin 7-(6''-(E)-caffeoylglucoside);6-Hydroxyquercetin 7-(6''-(E)-caffeoylglucoside);2-(3,4-Dihydroxyphenyl)-7-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-3,5,6-trihydroxy-4H-1-benzopyran-4-one C30H26O16 642.12208 869594-06-9 knapsack NA NA +MJ088133 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[6-O-Acetyl-2-O-(3,4,5-trihydroxybenzoyl)-?-D-galactopyranoside] C30H27O16(+) 642.122084 NA MeJP NA NA +PJ011517 PCCCCD C21H34N6O9S4 642.127 NA PeJP NA NA +MJ088134 Triumbellatin; 7-Me ether, 7'-O-(6-deoxy-?-D-galactopyranoside) C34H26O13 642.13734 NA MeJP NA NA +FL5FAGGA0003 Myricetin 3,3'-digalactoside C27H30O18 642.14321 28454-81-1 knapsack NA NA +FL5FAGGL0004 Myricetin 3-glucoside-7-galactoside C27H30O18 642.14321 106820-17-1 knapsack NA NA +FL5FAGGL0005 Myricetin 3,7-diglucoside C27H30O18 642.14321 72078-29-6 knapsack NA NA +FL5FAGGL0006 Myricetin 3,4'-diglucoside;3-(beta-D-Glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)-3,5-dihydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one C27H30O18 642.14321 146501-37-3 knapsack NA NA +FL5FECGL0002 Quercetagetin 3,7-diglucoside C27H30O18 642.14321 65180-48-5 knapsack NA NA +MJ088135 2',4',5,5',6,7-Hexahydroxyflavone; 2',6-Di-O-?-D-glucopyranoside C27H30O18 642.143214 NA MeJP NA NA +MJ088136 3,3',4',5,5',7-Hexahydroxyflavone; 3,3'-Di-O-galactoside C27H30O18 642.143214 NA MeJP NA NA +MJ088137 3,3',4',5,5',7-Hexahydroxyflavone; 3,4'-Di-O-?-D-glucopyranoside C27H30O18 642.143214 NA MeJP NA NA +MJ088138 3,3',4',5,5',7-Hexahydroxyflavone; 3,7-Di-O-?-D-glucopyranoside C27H30O18 642.143214 NA MeJP NA NA +MJ088139 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-D-Glucopyranoside, 7-O-?-D-galactopyranoside C27H30O18 642.143214 NA MeJP NA NA +MJ088140 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C27H30O18 642.143214 NA MeJP NA NA +MJ088141 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[Galactopyranosyl-(1??)-galactopyranoside] C27H30O18 642.143214 NA MeJP NA NA +MJ088142 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[Galactopyranosyl-(1??)-glucopyranoside] C27H30O18 642.143214 NA MeJP NA NA +MJ088143 3,3',4',5,6,7-Hexahydroxyflavone; 3,7-Di-O-?-D-glucopyranoside C27H30O18 642.143214 NA MeJP NA NA +MJ088144 3,3',4',5,7,8-Hexahydroxyflavone; 3,8-Di-O-?-D-glucopyranoside C27H30O18 642.143214 NA MeJP NA NA +PJ011518 GCCDDM C21H34N6O11S3 642.1448 NA PeJP NA NA +PJ011519 SCCCNN C20H34N8O10S3 642.156 NA PeJP NA NA +MJ088145 Ergochromes; Ergochrome CD C31H30O15 642.15847 NA MeJP NA NA +PJ011520 CCCEW C25H34N6O8S3 642.1601 NA PeJP NA NA +PJ011521 SSCCDE C21H34N6O13S2 642.1625 NA PeJP NA NA +PJ011522 SPCCCM C22H38N6O8S4 642.1634 NA PeJP NA NA +MJ088146 3',4',4''',5,5'',7''-Hexahydroxy-8,3'''-biflavanone, 5''',7-Dimethoxy, 4''',7''-di-Me ether, 3',4'-methylene ether C35H30O12 642.173726 NA MeJP NA NA +MJ088147 Hydnowightin C35H30O12 642.173726 NA MeJP NA NA +MJ088148 1,2,3,4,5,7-Hexahydroxyxanthone; 2,3,4,5-Tetra-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C28H34O17 642.179599 NA MeJP NA NA +PJ011523 GSCDMM C22H38N6O10S3 642.1812 NA PeJP NA NA +MJ088149 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1,2,9-Tris(3-furancarbonyl), 14-Ac C32H34O14 642.194855 NA MeJP NA NA +MJ088150 2,5,6-Trihydroxy-9-phenyl-1H-phenalen-1-one; 5-Me ether, 2-?-cellobioside C32H34O14 642.194855 NA MeJP NA NA +C09932 Haemocorin C32H34O14 642.1949 NA KEGG NA NA +PJ011524 CNDEY C25H34N6O12S 642.1956 NA PeJP NA NA +PJ011525 TCCMW C26H38N6O7S3 642.1964 NA PeJP NA NA +PJ011526 SSSCEM C22H38N6O12S2 642.1989 NA PeJP NA NA +PJ011527 CQMMM C23H42N6O7S4 642.1998 NA PeJP NA NA +PJ011528 GSCCHH C23H34N10O8S2 642.2003 NA PeJP NA NA +PJ011529 GPCDDH C24H34N8O11S 642.2068 NA PeJP NA NA +MJ088151 6-Chloro-2,8,9,11,12,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 2,9,11,12,14-Penta-Ac C30H39ClO13 642.207919 NA MeJP NA NA +PJ011530 GCDYW C29H34N6O9S 642.2108 NA PeJP NA NA +PJ011531 CCMMR C22H42N8O6S4 642.211 NA PeJP NA NA +PJ011532 GSSDDY C25H34N6O14 642.2133 NA PeJP NA NA +PJ011533 GPTCCY C26H38N6O9S2 642.2142 NA PeJP NA NA +FL64AAGM0001 Triphyllin B C29H38O16 642.21598 101395-03-3 knapsack NA NA +MJ088152 2',3',4',5',7-Pentahydroxyisoflavan, 3',4'-Di-Me ether, 2',5'-di-O-?-D-glucopyranoside C29H38O16 642.215985 NA MeJP NA NA +MJ088153 3,3',4,4',5,7-Hexahydroxyflavan, 4',7-Di-Me ether, 3-O-rutinoside C29H38O16 642.215985 NA MeJP NA NA +MJ088154 4,4',5,7-Tetrahydroxy-6-hydroxymethyl-8-methylflavan, 5,7-Di-O-?-D-glucopyranoside C29H38O16 642.215985 NA MeJP NA NA +MJ088155 Bruceolide; 15-Ac, 3-O-?-D-glucopyranoside C29H38O16 642.215985 NA MeJP NA NA +MJ088156 Bruceosin; 15-Deacyl, 15-Ac, 2-O-?-D-glucopyranoside C29H38O16 642.215985 NA MeJP NA NA +PJ011534 GSSMMM C23H42N6O9S3 642.2176 NA PeJP NA NA +PJ011535 NDEEH C24H34N8O13 642.2246 NA PeJP NA NA +PJ011536 CCDFR C25H38N8O8S2 642.2254 NA PeJP NA NA +PJ011537 GCMFW C30H38N6O6S2 642.2294 NA PeJP NA NA +MJ088157 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 9'-O-[4-hydroxybenzoyl-(?2)-?-D-glucopyranoside] C33H38O13 642.231241 NA MeJP NA NA +MJ088158 Auramycin C; De(dimethylamino) C33H38O13 642.231241 NA MeJP NA NA +PJ011538 SNEMY C26H38N6O11S 642.2319 NA PeJP NA NA +PJ011539 GGSEMY C26H38N6O11S 642.232 NA PeJP NA NA +PJ011540 SSSTMM C23H42N6O11S2 642.2353 NA PeJP NA NA +PJ011541 GSNNDH C23H34N10O12 642.2358 NA PeJP NA NA +PJ011542 CKMMM C24H46N6O6S4 642.2362 NA PeJP NA NA +PJ011543 GDEHW C28H34N8O10 642.2398 NA PeJP NA NA +PJ011544 SCDRY C25H38N8O10S 642.2432 NA PeJP NA NA +MJ088159 6-Chloro-11,20-epoxy-2,8,9,12,14-pentahydroxy-3,5(16)-briaradien-18,7-olide; 3,4-Dihydro, O-(3-methylbutanoyl), tri-Ac C31H43ClO12 642.244304 NA MeJP NA NA +MJ088160 6-Chloro-11,20-epoxy-2,8,9,12,14-pentahydroxy-5(16)-briaren-18,7-olide; 14-(2-Methylbutanoyl), 2,9,12-tri-Ac C31H43ClO12 642.244304 NA MeJP NA NA +PJ011545 GSMYW C30H38N6O8S 642.2472 NA PeJP NA NA +MJ088161 4,4''-Bi(N-4-hydroxycinnamoylserotonin) C38H34N4O6 642.247834 NA MeJP NA NA +PJ011546 GSSTEY C26H38N6O13 642.2497 NA PeJP NA NA +PJ011547 AQMMY C27H42N6O8S2 642.2506 NA PeJP NA NA +PJ011548 NNQMH C24H38N10O9S 642.2544 NA PeJP NA NA +PJ011549 DHWW C32H34N8O7 642.2551 NA PeJP NA NA +MJ088162 1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 9,14-Bis-(3-pyridinecarbonyl), 8-benzoyl, 1-Ac C36H38N2O9 642.25773 NA MeJP NA NA +MJ088163 Cannabisin E C36H38N2O9 642.25773 NA MeJP NA NA +PJ011550 PTCHW C29H38N8O7S 642.2584 NA PeJP NA NA +PJ011551 TQEEH C25H38N8O12 642.2609 NA PeJP NA NA +PJ011552 GATEEH C25H38N8O12 642.261 NA PeJP NA NA +PJ011553 ACMRY C26H42N8O7S2 642.2618 NA PeJP NA NA +PJ011554 SSTYW C30H38N6O10 642.2649 NA PeJP NA NA +PJ011555 PPDEW C30H38N6O10 642.265 NA PeJP NA NA +PJ011556 CNNHR C23H38N12O8S 642.2656 NA PeJP NA NA +PJ011557 GGCNHR C23H38N12O8S 642.2657 NA PeJP NA NA +MJ088164 Rohituka substance 7; 12-Deacyl, 12-(3-methylbutanoyl) C34H42O12 642.267626 NA MeJP NA NA +PJ011558 SDKMY C27H42N6O10S 642.2683 NA PeJP NA NA +PJ011559 SDEHR C24H38N10O11 642.2722 NA PeJP NA NA +PJ011560 PCMHR C25H42N10O6S2 642.2731 NA PeJP NA NA +PJ011561 ATEHW C29H38N8O9 642.2762 NA PeJP NA NA +PJ011562 SSMRY C26H42N8O9S 642.2796 NA PeJP NA NA +PJ011563 QFYW C34H38N6O7 642.2802 NA PeJP NA NA +PJ011564 AQMFF C31H42N6O7S 642.2836 NA PeJP NA NA +MJ088165 N-[4-[2-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]-3-[[4-methyl-3,6-dioxo-5-(phenylmethylene)piperazinylidene]methyl]benzamide C39H38N4O5 642.28422 NA MeJP NA NA +PJ011565 SSSSLY C27H42N6O12 642.2861 NA PeJP NA NA +PJ011566 AKMMY C28H46N6O7S2 642.287 NA PeJP NA NA +MJ088166 2,6-Dimethyl-7-octene-2,3,6-triol; 6-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-E-cinnamoyl)-(?4)]-?-D-glucopyranoside] C31H46O14 642.288756 NA MeJP NA NA +MJ088167 2,6-Dimethyl-7-octene-2,3,6-triol; 6-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-Z-cinnamoyl)-(?4)]-?-D-glucopyranoside] C31H46O14 642.288756 NA MeJP NA NA +MJ088168 3,7-Dimethyl-2-octene-1,6,7-triol, 1-O-[?-L-Rhamnopyranosyl-(1?3)[4-hydroxycinnamoyl(?4)]-?-D-glucopyranoside] C31H46O14 642.288756 NA MeJP NA NA +PJ011567 AEMHR C25H42N10O8S 642.2908 NA PeJP NA NA +PJ011568 GPHFW C33H38N8O6 642.2915 NA PeJP NA NA +PJ011569 GLMHW C30H42N8O6S 642.2948 NA PeJP NA NA +PJ011570 TKEEH C26H42N8O11 642.2973 NA PeJP NA NA +PJ011571 GGGGGPLE C26H42N8O11 642.2974 NA PeJP NA NA +PJ011572 PKMMH C27H46N8O6S2 642.2982 NA PeJP NA NA +PJ011573 VNHHH C27H38N12O7 642.2987 NA PeJP NA NA +PJ011574 GLQYY C31H42N6O9 642.3013 NA PeJP NA NA +PJ011575 GGALYY C31H42N6O9 642.3014 NA PeJP NA NA +MJ088169 Dumsin C35H46O11 642.304012 NA MeJP NA NA +MJ088170 Nimbolidin A; 7-Deacyl, 7-(2-methyl-2-propenoyl), 11-O-de-Ac C35H46O11 642.304012 NA MeJP NA NA +MJ088171 Spirosendan C35H46O11 642.304012 NA MeJP NA NA +MJ088172 Trichoverritone C35H46O11 642.304012 NA MeJP NA NA +PJ011576 TTKMY C28H46N6O9S 642.3047 NA PeJP NA NA +PJ011577 TTEHR C25H42N10O10 642.3086 NA PeJP NA NA +PJ011578 GHHHR C26H38N14O6 642.3099 NA PeJP NA NA +PJ011579 STLHW C30H42N8O8 642.3126 NA PeJP NA NA +PJ011580 VKEMH C27H46N8O8S 642.316 NA PeJP NA NA +PJ011581 KFYW C35H42N6O6 642.3166 NA PeJP NA NA +MJ088173 Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Dicinnamoyl C39H46O8 642.319268 NA MeJP NA NA +MJ088174 Vilasinin; 7-Cinnamoyl, 1,3-di-Ac C39H46O8 642.319268 NA MeJP NA NA +PJ011582 PPLMW C32H46N6O6S 642.32 NA PeJP NA NA +PJ011583 GPVLEE C28H46N6O11 642.3225 NA PeJP NA NA +PJ011584 GPQRW C29H42N10O7 642.3238 NA PeJP NA NA +MJ088175 13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester C32H50O13 642.325141 NA MeJP NA NA +MJ088176 13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C32H50O13 642.325141 NA MeJP NA NA +MJ088177 15-Hydroxy-16-kauren-19-oic acid, O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester C32H50O13 642.325141 NA MeJP NA NA +MJ088178 19-Hydroxy-8(17),13-labdadien-15,16-olide; ?-Cellobioside C32H50O13 642.325141 NA MeJP NA NA +MJ088179 Antibiotic 15G256? C33H46N4O9 642.326479 NA MeJP NA NA +3795 NA WWPR~ 642.327 ACE inhibitor Inhouse_peptide NA peptide +PJ011585 SLMHR C26H46N10O7S 642.3272 NA PeJP NA NA +PJ011586 PLEER C27H46N8O10 642.3337 NA PeJP NA NA +PJ011587 PPHHR C28H42N12O6 642.3351 NA PeJP NA NA +PJ011588 PVLEW C32H46N6O8 642.3377 NA PeJP NA NA +MJ088180 Huratoxin; 12?-Acetoxy C36H50O10 642.340397 NA MeJP NA NA +MJ088181 Sodagnitin E; 3-Ketone, 2-(3-hydroxy-3-methylglutaroyl) C36H50O10 642.340397 NA MeJP NA NA +MetaCyc04005 2,3,16-triacetate-15-oxo-23,24-dihydroxycucurbitacin [] C36H50O10 642.340398 NA metacyc NA NA +PJ011589 SPPVLM C29H50N6O8S 642.3411 NA PeJP NA NA +PJ011590 PNKER C26H46N10O9 642.3449 NA PeJP NA NA +PJ011591 GGPKER C26H46N10O9 642.345 NA PeJP NA NA +PJ011592 PVNKW C31H46N8O7 642.349 NA PeJP NA NA +PJ011593 APPCKK C28H50N8O7S 642.3523 NA PeJP NA NA +PJ011594 SPQRR C25H46N12O8 642.3562 NA PeJP NA NA +MJ088182 Macrocarpamine C41H46N4O3 642.356991 NA MeJP NA NA +MJ088183 Tenuicausine C41H46N4O3 642.356991 NA MeJP NA NA +PJ011595 APTLLE C29H50N6O10 642.3589 NA PeJP NA NA +PJ011596 GPKRW C30H46N10O6 642.3602 NA PeJP NA NA +MJ088184 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 22-O-?-D-Galactopyranoside C33H54O12 642.361527 NA MeJP NA NA +MJ088185 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 3-O-?-D-Glucopyranoside C33H54O12 642.361527 NA MeJP NA NA +MJ088186 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 3-O-?-D-Galactopyranoside C33H54O12 642.361527 NA MeJP NA NA +MJ088187 Amphidinolide N C33H54O12 642.361527 NA MeJP NA NA +MJ088188 Chainin; Stereoisomer, 1',14-dihydroxy C33H54O12 642.361527 NA MeJP NA NA +MJ088189 Spirostane-1,2,3,4,5-pentol, 5-O-?-D-Glucopyranoside C33H54O12 642.361527 NA MeJP NA NA +MJ088190 3,14-Dihydroxybufa-20,22-dienolide, 3-(Arginylsuccinoyl) C34H50N4O8 642.362864 NA MeJP NA NA +PJ011597 CKKKH C27H50N10O6S 642.3636 NA PeJP NA NA +PJ011598 AAPKKE C28H50N8O9 642.3701 NA PeJP NA NA +MJ088191 Glabrin A C33H50N6O7 642.374097 NA MeJP NA NA +PJ011599 GPPLLF C33H50N6O7 642.3741 NA PeJP NA NA +MJ088192 Onchitriol I; 13-Propanoyl, 15-Ac C37H54O9 642.376783 NA MeJP NA NA +MJ088193 Onchitriol I; 15-Propanoyl, 13-Ac C37H54O9 642.376783 NA MeJP NA NA +PJ011600 GPLLLM C30H54N6O7S 642.3775 NA PeJP NA NA +3615 NA RNVRV 642.3809 ACE inhibitor Inhouse_peptide NA peptide +PJ011601 PDKKR C27H50N10O8 642.3813 NA PeJP NA NA +PJ011602 GGGALLR C27H50N10O8 642.3814 NA PeJP NA NA +PJ011603 VLKHF C32H50N8O6 642.3854 NA PeJP NA NA +PJ011604 SPKRR C26H50N12O7 642.3926 NA PeJP NA NA +PJ011605 SPTLLL C30H54N6O9 642.3952 NA PeJP NA NA +PJ011606 GVLLLE C30H54N6O9 642.3953 NA PeJP NA NA +MJ088194 Ergost-24(28)-ene-3,4,6,8,15,16,26-heptol, 3-O-(2-O-Methyl-?-D-xylopyranoside) C34H58O11 642.397912 NA MeJP NA NA +MJ088195 Monensin; 2-Demethylmonensin B C34H58O11 642.397912 NA MeJP NA NA +MJ088196 Monensin; Monensin B, 3-O-De-Me C34H58O11 642.397912 NA MeJP NA NA +PJ011607 GVRRR C25H50N14O6 642.4038 NA PeJP NA NA +PJ011608 LLLER C29H54N8O8 642.4065 NA PeJP NA NA +PJ011609 VLLLW C34H54N6O6 642.4105 NA PeJP NA NA +MJ088197 3-Hydroxy-24-methyllanosta-8,23,25-trien-21-oic acid, 3-Ac, 21-O-?-D-xylopyranosyl ester C38H58O8 642.413168 NA MeJP NA NA +PJ011610 RRRR C24H50N16O5 642.415 NA PeJP NA NA +PJ011611 VLQKR C28H54N10O7 642.4177 NA PeJP NA NA +MJ088198 Agelaxanthin C; 19-Me ether C42H58O5 642.428424 NA MeJP NA NA +MJ088199 Neoxanthin; 3-Ac C42H58O5 642.428424 NA MeJP NA NA +PJ011612 ALKRR C27H54N12O6 642.429 NA PeJP NA NA +PJ011613 ATLLLL C31H58N6O8 642.4316 NA PeJP NA NA +MJ088200 Ferensimycin B C35H62O10 642.434298 NA MeJP NA NA +PJ011614 AALLKK C30H58N8O7 642.4429 NA PeJP NA NA +PJ011615 VLKKR C29H58N10O6 642.4541 NA PeJP NA NA +MJ088201 Ingenol; 20-Eicosanoyl C40H66O6 642.485939 NA MeJP NA NA +MJ088202 Pleuromutilin; 1'-O-(9-Octadecenoyl) C40H66O6 642.485939 NA MeJP NA NA +MJ088203 Werneria hemiacetal C40H66O6 642.485939 NA MeJP NA NA +HMDB07119 DG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07120 DG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07147 DG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07172 DG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07199 DG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07200 DG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07228 DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07229 DG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07255 DG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07256 DG(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07283 DG(18:3(6Z,9Z,12Z)/20:2(11Z,14Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07312 DG(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07340 DG(18:4(6Z,9Z,12Z,15Z)/20:1(11Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07396 DG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07423 DG(20:2(11Z,14Z)/18:3(6Z,9Z,12Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07424 DG(20:2(11Z,14Z)/18:3(9Z,12Z,15Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07451 DG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07480 DG(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07507 DG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07508 DG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07536 DG(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07537 DG(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07564 DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:0/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07679 DG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07707 DG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB07736 DG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/0:0) C41H70O5 642.522339 NA HMDB2010 NA NA +HMDB05231 DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] C41H70O5 642.52234 http://www.hmdb.ca/metabolites/HMDB05231 HMDB NA NA +HMDB05231 DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] C41H70O5 642.52234 HMDB05231 PFEM_hmdb_metabocards_official NA NA +MJ088204 3-(4-Hydroxyphenyl)-1-propanol; 1-Tetratriacontanoyl C43H78O3 642.595096 NA MeJP NA NA +2636 synthetic fr, of human beta-CN (42-52) ACE inhibitor PSFQPQPLIYP 642.8275 MH2+ Inhouse_peptide NA peptide +MJ088205 Pseudoceratidine C17H21Br4N5O2 642.842875 NA MeJP NA NA +PJ011616 SCCCND C20H33N7O11S3 643.14 NA PeJP NA NA +PJ011617 GGSCCCD C20H33N7O11S3 643.1401 NA PeJP NA NA +PJ011618 GCCCQM C21H37N7O8S4 643.1587 NA PeJP NA NA +PJ011619 GCCCCR C20H37N9O7S4 643.1699 NA PeJP NA NA +MJ088206 Geodiamolide R C27H38IN3O7 643.175444 NA MeJP NA NA +PJ011620 SSCCNM C21H37N7O10S3 643.1764 NA PeJP NA NA +PJ011621 CDDEY C25H33N5O13S 643.1796 NA PeJP NA NA +PJ011622 CEMMM C23H41N5O8S4 643.1838 NA PeJP NA NA +PJ011623 GSSSTCC C21H37N7O12S2 643.1942 NA PeJP NA NA +PJ011624 GCCCKM C22H41N7O7S4 643.1951 NA PeJP NA NA +PJ011625 CDEMF C26H37N5O10S2 643.1982 NA PeJP NA NA +PJ011626 DDEEH C24H33N7O14 643.2086 NA PeJP NA NA +PJ011627 CNNMY C25H37N7O9S2 643.2094 NA PeJP NA NA +PJ011628 SSSSSSC C21H37N7O14S 643.2119 NA PeJP NA NA +PJ011629 STCCCK C22H41N7O9S3 643.2128 NA PeJP NA NA +PJ011630 SDEMY C26H37N5O12S 643.216 NA PeJP NA NA +PJ011631 PCMMY C27H41N5O7S3 643.2168 NA PeJP NA NA +PJ011632 GSNDDH C23H33N9O13 643.2198 NA PeJP NA NA +PJ011633 TMMMM C24H45N5O7S4 643.2202 NA PeJP NA NA +PJ011634 GPCCQH C24H37N9O8S2 643.2207 NA PeJP NA NA +MJ088207 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl), 9-(3-furancarbonyl), 2,6,14-tri-Ac C32H37NO13 643.22649 NA MeJP NA NA +MJ088208 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1-(3-furancarbonyl), 2,6,14-tri-Ac C32H37NO13 643.22649 NA MeJP NA NA +MJ088209 Nemorubicin C32H37NO13 643.22649 NA MeJP NA NA +PJ011635 GSSCQY C25H37N7O11S 643.2272 NA PeJP NA NA +PJ011636 PCDFY C30H37N5O9S 643.2312 NA PeJP NA NA +PJ011637 AEMMY C27H41N5O9S2 643.2346 NA PeJP NA NA +PJ011638 NNEMH C24H37N9O10S 643.2384 NA PeJP NA NA +PJ011639 CNNFF C29H37N7O8S 643.2425 NA PeJP NA NA +PJ011640 SSSSNY C25H37N7O13 643.2449 NA PeJP NA NA +PJ011641 GGSSSSY C25H37N7O13 643.245 NA PeJP NA NA +PJ011642 CCQKY C26H41N7O8S2 643.2458 NA PeJP NA NA +PJ011643 SPDYY C30H37N5O11 643.249 NA PeJP NA NA +PJ011644 CNDHR C23H37N11O9S 643.2497 NA PeJP NA NA +PJ011645 PCMFF C31H41N5O6S2 643.2498 NA PeJP NA NA +PJ011646 TTEMY C27H41N5O11S 643.2523 NA PeJP NA NA +PJ011647 CLMMF C28H45N5O6S3 643.2532 NA PeJP NA NA +PJ011648 GNMHW C28H37N9O7S 643.2537 NA PeJP NA NA +PJ011649 GSSQEH C24H37N9O12 643.2562 NA PeJP NA NA +PJ011650 GPCCKH C25H41N9O7S2 643.2571 NA PeJP NA NA +PJ011651 GNQYY C29H37N7O10 643.2602 NA PeJP NA NA +MJ088210 Carminomycin II; 11-Deoxy C33H41NO12 643.262875 NA MeJP NA NA +PJ011652 GSSCKY C26H41N7O10S 643.2636 NA PeJP NA NA +PJ011653 EFYW C34H37N5O8 643.2642 NA PeJP NA NA +PJ011654 APMYY C31H41N5O8S 643.2676 NA PeJP NA NA +PJ011655 SLMMY C28H45N5O8S2 643.271 NA PeJP NA NA +PJ011656 SSQHW C28H37N9O9 643.2714 NA PeJP NA NA +PJ011657 GGSTHW C28H37N9O9 643.2715 NA PeJP NA NA +3703 NA VTDFY 643.2729 ACE inhibitor Inhouse_peptide NA peptide +PJ011658 GPPCDR C25H41N9O9S 643.2748 NA PeJP NA NA +PJ011659 PPNMW C30H41N7O7S 643.2788 NA PeJP NA NA +PJ011660 GGPPMW C30H41N7O7S 643.2789 NA PeJP NA NA +PJ011661 SSPPQE C26H41N7O12 643.2813 NA PeJP NA NA +PJ011662 AAPQEE C26H41N7O12 643.2814 NA PeJP NA NA +PJ011663 CCKKY C27H45N7O7S2 643.2822 NA PeJP NA NA +PJ011664 VDHHH C27H37N11O8 643.2827 NA PeJP NA NA +PJ011665 GLEYY C31H41N5O10 643.2854 NA PeJP NA NA +PJ011666 SNMHR C24H41N11O8S 643.286 NA PeJP NA NA +PJ011667 GGSMHR C24H41N11O8S 643.2861 NA PeJP NA NA +PJ011668 GHHFF C32H37N9O6 643.2867 NA PeJP NA NA +PJ011669 ACKHW C29H41N9O6S 643.2901 NA PeJP NA NA +PJ011670 PNEER C25H41N9O11 643.2926 NA PeJP NA NA +MJ088211 N-(1,1-Dimethylethyl)-4-[[5'-ethoxy-4-[2-(4-morpholinyl)ethoxy]-2-oxospiro[cyclohexane-1,3'-[3H]indol]-1'(2'H)-yl]sulfonyl]-3-methoxybenzamide C33H45N3O8S 643.292736 NA MeJP NA NA +PJ011671 PVNEW C30H41N7O9 643.2966 NA PeJP NA NA +PJ011672 GPPDKM C27H45N7O9S 643.3 NA PeJP NA NA +PJ011673 LYYW C35H41N5O7 643.3006 NA PeJP NA NA +PJ011674 GSSTHR C24H41N11O10 643.3038 NA PeJP NA NA +PJ011675 ALMFY C32H45N5O7S 643.304 NA PeJP NA NA +PJ011676 GPERW C29H41N9O8 643.3078 NA PeJP NA NA +PJ011677 GSPPMR C26H45N9O8S 643.3112 NA PeJP NA NA +PJ011678 GPVWW C34H41N7O6 643.3119 NA PeJP NA NA +EUR164 Glutathione-prostaglandinA1 C20H32O4. C10H17N3O6S 643.313869 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR164 Glutathione-prostaglandinA1 C20H32O4. C10H17N3O6S 643.313869 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR164 Glutathione-prostaglandinA1 C20H32O4. C10H17N3O6S 643.313869 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR164 Glutathione-prostaglandinA1 C20H32O4. C10H17N3O6S 643.313869 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR164 Glutathione-prostaglandinA1 C20H32O4. C10H17N3O6S 643.313869 Wishlist HMDB NA NA +EUR164 Glutathione-prostaglandinA1 C20H32O4. C10H17N3O6S 643.313869 Wishlist Inhouse_PFEM NA NA +EUR164 Glutathione-prostaglandinA1 C20H32O4. C10H17N3O6S 643.313869 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR164 Glutathione-prostaglandinA1 C20H32O4. C10H17N3O6S 643.313869 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR164 gsh-prostaglandinA1 C20H32O4. C10H17N3O6S 643.3139 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR164 gsh-prostaglandinA1 C20H32O4. C10H17N3O6S 643.3139 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR164 gsh-prostaglandinA1 C20H32O4. C10H17N3O6S 643.3139 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR164 gsh-prostaglandinA1 C20H32O4. C10H17N3O6S 643.3139 Wishlist Inhousejuil11 NA NA +C11304 S-(PGA1)-glutathione C30H49N3O10S 643.3139 NA KEGG NA NA +C11367 Gsh-prostaglandin A1 C20H32O4 643.3139 NA KEGG NA NA +PJ011679 PLMHF C31H45N7O6S 643.3152 NA PeJP NA NA +PJ011680 AAPKEE C27H45N7O11 643.3177 NA PeJP NA NA +PJ011681 LLMMH C28H49N7O6S2 643.3186 NA PeJP NA NA +PJ011682 GQHFR C28H41N11O7 643.3191 NA PeJP NA NA +PJ011683 SVLYY C32H45N5O9 643.3217 NA PeJP NA NA +PJ011684 TCKHR C25H45N11O7S 643.3224 NA PeJP NA NA +2819 PEP inhibitor PRPQPHPQPHP 643.3225 MH2+ Inhouse_peptide NA peptide +PJ011685 PRWW C33H41N9O5 643.3231 NA PeJP NA NA +MJ088212 Paromomycin; 2'-N-Et C25H49N5O14 643.327601 NA MeJP NA NA +PJ011686 PDKER C26H45N9O10 643.329 NA PeJP NA NA +PJ011687 PVDKW C31H45N7O8 643.333 NA PeJP NA NA +MJ088213 Destruxin A4; 4'-Hydroxy, 5'-chloro C30H50ClN5O8 643.334791 NA MeJP NA NA +MJ088214 4-Methylaconitane-1,3,6,8,14,16,18-heptol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-(4-methoxybenzoyl), 8-Ac C35H49NO10 643.335646 NA MeJP NA NA +MJ088215 Zygadenine; O3-(4-Hydroxy-3-methoxybenzoyl) C35H49NO10 643.335646 NA MeJP NA NA +PJ011688 APPTKM C28H49N7O8S 643.3364 NA PeJP NA NA +PJ011689 ALFFF C36H45N5O6 643.337 NA PeJP NA NA +PJ011690 SPERR C25H45N11O9 643.3402 NA PeJP NA NA +PJ011691 SPVRW C30H45N9O7 643.3442 NA PeJP NA NA +PJ011692 PLQMR C27H49N9O7S 643.3476 NA PeJP NA NA +PJ011693 GQQRR C24H45N13O8 643.3514 NA PeJP NA NA +PJ011694 GGGAARR C24H45N13O8 643.3515 NA PeJP NA NA +PJ011695 GPTLKE C28H49N7O10 643.3541 NA PeJP NA NA +PJ011696 GKHFR C29H45N11O6 643.3555 NA PeJP NA NA +PJ011697 PCLRR C26H49N11O6S 643.3588 NA PeJP NA NA +PJ011698 LLNER C27H49N9O9 643.3653 NA PeJP NA NA +PJ011699 VLQER C27H49N9O9 643.3654 NA PeJP NA NA +PJ011700 PTLKW C32H49N7O7 643.3694 NA PeJP NA NA +MJ088216 Ganefromycin ? C36H53NO9 643.372032 NA MeJP NA NA +PJ011701 GPVLKM C29H53N7O7S 643.3728 NA PeJP NA NA +PJ011702 ALERR C26H49N11O8 643.3766 NA PeJP NA NA +PJ011703 GLLRW C31H49N9O6 643.3806 NA PeJP NA NA +PJ011704 PLKMR C28H53N9O6S 643.384 NA PeJP NA NA +PJ011705 GQKRR C25H49N13O7 643.3878 NA PeJP NA NA +2885 nocistatin KQKLQ 643.388 celiac toxic Inhouse_peptide NA peptide +PJ011706 AALLKE C29H53N7O9 643.3905 NA PeJP NA NA +MJ088217 Nephilatoxin 9 C30H49N11O5 643.391813 NA MeJP NA NA +PJ011707 VLKER C28H53N9O8 643.4017 NA PeJP NA NA +PJ011708 GGAALKK C28H53N9O8 643.4018 NA PeJP NA NA +PJ011709 VVLKW C33H53N7O6 643.4058 NA PeJP NA NA +PJ011710 SLLRR C27H53N11O7 643.413 NA PeJP NA NA +MJ088218 Pepstatins; Pepstatin AC C31H57N5O9 643.415628 NA MeJP NA NA +MJ088219 Nephilatoxin 643 C32H53N9O5 643.416965 NA MeJP NA NA +PJ011711 GKKRR C26H53N13O6 643.4242 NA PeJP NA NA +PJ011712 GTLLLK C30H57N7O8 643.4269 NA PeJP NA NA +MJ088220 Dolastatin C C35H57N5O6 643.430884 NA MeJP NA NA +PJ011713 LQKKK C29H57N9O7 643.4381 NA PeJP NA NA +MJ088221 Squalamine; 12?-Hydroxy C34H65N3O6S 643.459407 NA MeJP NA NA +MJ088222 Squalamine; 24-O-Desulfo, 26-sulfooxy C34H65N3O6S 643.459407 NA MeJP NA NA +PJ011714 LKKKK C30H61N9O6 643.4745 NA PeJP NA NA +HMDB04969 Glucosylceramide (d18:1/12:0) C36H69NO8 643.502319 NA HMDB2010 NA NA +HMDB12320 Galactosylceramide (d18:1/12:0) C36H69NO8 643.502319 NA HMDB2010 NA NA +HMDB04969 Glucosylceramide (d18:1/12:0) C36H69NO8 643.50232 http://www.hmdb.ca/metabolites/HMDB04969 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04969 Glucosylceramide (d18:1/12:0) C36H69NO8 643.50232 http://www.hmdb.ca/metabolites/HMDB04969 HMDB NA NA +HMDB04969 Glucosylceramide (d18:1/12:0) C36H69NO8 643.50232 http://www.hmdb.ca/metabolites/HMDB04969 PFEM_hmdb_metabocards_blood NA blood +HMDB04969 Glucosylceramide (d18:1/12:0) C36H69NO8 643.50232 HMDB04969 PFEM_hmdb_metabocards_official NA NA +MJ088223 Rubrolide G; 2-Chloro C17H9Br4ClO5 643.687201 NA MeJP NA NA +HMDB04249 Phosphatidylinositol-3,4,5-trisphosphate C12H24O22P4 643.970947 NA HMDB2010 NA NA +MJ088224 Cefmepidium(1+); Chloride C23H25ClN6O8S3 644.058451 NA MeJP NA NA +MJ088225 2,3-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form, 6-O-(3,4-Dihydroxy-E-cinnamoyl) C29H24O17 644.101349 NA MeJP NA NA +MJ088226 4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1-O-(3,4-Dihydroxy-E-cinnamoyl) C29H24O17 644.101349 NA MeJP NA NA +MJ088227 Luteolic acid; Diglucoside C26H28O19 644.122478 NA MeJP NA NA +PJ011715 SCCCDD C20H32N6O12S3 644.1241 NA PeJP NA NA +MetaCyc04006 factor γ-F420-1 [coenzyme γ-F420-1;] C24H29N4O15P1 644.136703 NA metacyc NA NA +PJ011716 GCCCEM C21H36N6O9S4 644.1427 NA PeJP NA NA +PJ011717 CCCMW C25H36N6O6S4 644.1579 NA PeJP NA NA +PJ011718 SSCCDM C21H36N6O11S3 644.1604 NA PeJP NA NA +MJ088228 Diphyllin; O-[?-D-Xylopyranosyl-(1?2)-?-D-apiofuranoside] C31H32O15 644.17412 NA MeJP NA NA +PJ011719 GPCCCY C25H36N6O8S3 644.1757 NA PeJP NA NA +MJ088229 Maduraferrin C26H34FeN7O9 644.176742 NA MeJP NA NA +PJ011720 GTCCMM C22H40N6O8S4 644.1791 NA PeJP NA NA +MJ088230 Ovigeridimerine C37H28N2O9 644.17948 NA MeJP NA NA +PJ011721 CNDMY C25H36N6O10S2 644.1935 NA PeJP NA NA +MJ088231 2-Hydroxybenzyl 2,3,4,6-tetrahydroxybenzoate; 2,6-Di-Me ether, 2',3-di-O-?-D-glucopyranoside C28H36O17 644.195249 NA MeJP NA NA +PJ011722 SSSCMM C22H40N6O10S3 644.1968 NA PeJP NA NA +MJ088232 26,27-Dinorergost-22-ene-2,3,6-triol, Tri-O-sulfate C26H44O12S3 644.199488 NA MeJP NA NA +MJ088233 27-Norcholest-25-ene-2,3,6-triol, Tri-O-sulfate C26H44O12S3 644.199488 NA MeJP NA NA +PJ011723 GSDDDH C23H32N8O14 644.2038 NA PeJP NA NA +MJ088234 Sorocenol D, 2'',3''-Dihydro, 3''-hydroxy C39H32O9 644.204632 NA MeJP NA NA +PJ011724 GPCCEH C24H36N8O9S2 644.2047 NA PeJP NA NA +PJ011725 ACCYW C29H36N6O7S2 644.2087 NA PeJP NA NA +MJ088235 4-O-?-L-Rhamnopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside, 2,3-dibenzoyl, tri-Ac C32H36O14 644.210505 NA MeJP NA NA +MJ088236 Uhdoside A; 10-Hydroxy C32H36O14 644.210505 NA MeJP NA NA +PJ011726 GSSCEY C25H36N6O12S 644.2112 NA PeJP NA NA +PJ011727 CNMMF C26H40N6O7S3 644.2121 NA PeJP NA NA +PJ011728 PCCHW C28H36N8O6S2 644.2199 NA PeJP NA NA +PJ011729 NDEMH C24H36N8O11S 644.2225 NA PeJP NA NA +FLIA1AGI0001 4'-O-Methylneobavaisoflavone 7-O-(2''-p-coumaroylglucoside) C36H36O11 644.22576 126654-66-8 knapsack NA NA +MJ088237 4',7-Dihydroxy-3'-prenylisoflavone; 4'-Me ether, 7-O-(2-O-(4-hydroxycinnamoyl)-?-D-glucopyranoside) C36H36O11 644.225761 NA MeJP NA NA +PJ011730 SSCYW C29H36N6O9S 644.2265 NA PeJP NA NA +PJ011731 SSSSDY C25H36N6O14 644.229 NA PeJP NA NA +PJ011732 SNMMY C26H40N6O9S2 644.2298 NA PeJP NA NA +MJ088238 Ajugol; 6-O-[3-Methoxy-4-(?-L-rhamnopyranosyloxy)benzoyl] C29H40O16 644.231635 NA MeJP NA NA +MJ088239 Yadanzioside D C29H40O16 644.231635 NA MeJP NA NA +PJ011733 CDDHR C23H36N10O10S 644.2337 NA PeJP NA NA +PJ011734 GDMHW C28H36N8O8S 644.2377 NA PeJP NA NA +PJ011735 GSSEEH C24H36N8O13 644.2402 NA PeJP NA NA +PJ011736 TCCRY C25H40N8O8S2 644.2411 NA PeJP NA NA +PJ011737 GNEYY C29H36N6O11 644.2442 NA PeJP NA NA +MJ088240 3-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Me glycoside, 4,6-O-benzylidene, 2-benzyl, 2',3',4'-tri-Ac C33H40O13 644.246891 NA MeJP NA NA +MJ088241 Buddlenol E; 5',5''-Dimethoxy C33H40O13 644.246891 NA MeJP NA NA +MJ088242 Limbocidin C33H40O13 644.246891 NA MeJP NA NA +PJ011738 GSSTMY C26H40N6O11S 644.2476 NA PeJP NA NA +MJ088243 Antibiotic AT 2433; Antibiotic AT 2433B1 C34H36N4O9 644.248228 NA MeJP NA NA +PJ011739 SSSNNH C23H36N10O12 644.2514 NA PeJP NA NA +PJ011740 GGGGSSSH C23H36N10O12 644.2515 NA PeJP NA NA +PJ011741 SSEHW C28H36N8O10 644.2555 NA PeJP NA NA +PJ011742 TQEMH C25H40N8O10S 644.2588 NA PeJP NA NA +MJ088244 Cephabacin H; Cephabacin H4, 28-Deoxy C25H40N8O10S 644.25881 NA MeJP NA NA +PJ011743 GGGGPPTC C25H40N8O10S 644.2589 NA PeJP NA NA +PJ011744 NYYW C33H36N6O8 644.2595 NA PeJP NA NA +PJ011745 PPDMW C30H40N6O8S 644.2629 NA PeJP NA NA +PJ011746 SSSTTY C26H40N6O13 644.2653 NA PeJP NA NA +PJ011747 AAPEEE C26H40N6O13 644.2654 NA PeJP NA NA +PJ011748 TCKMY C27H44N6O8S2 644.2662 NA PeJP NA NA +PJ011749 NNNHF C27H36N10O9 644.2667 NA PeJP NA NA +PJ011750 SDMHR C24H40N10O9S 644.2701 NA PeJP NA NA +MJ088245 Milliamine C; 3-O-Deacyl-5-O-acyl isomer, N1'-deacyl, 20-Ac C36H40N2O9 644.27338 NA MeJP NA NA +MJ088246 Milliamine C; N1'-Deacyl, 20-Ac C36H40N2O9 644.27338 NA MeJP NA NA +MJ088247 Thapsakin B; 3,4-Diepimer, homologue (R = CH2CH3) C36H40N2O9 644.27338 NA MeJP NA NA +PJ011751 ATMHW C29H40N8O7S 644.2741 NA PeJP NA NA +PJ011752 PDEER C25H40N8O12 644.2766 NA PeJP NA NA +PJ011753 VQMMH C26H44N8O7S2 644.2775 NA PeJP NA NA +PJ011754 SQHHH C26H36N12O8 644.2779 NA PeJP NA NA +PJ011755 PVDEW C30H40N6O10 644.2806 NA PeJP NA NA +MJ088248 Azadirachtanin; 14?,15?-Epoxide, 29-de-Ac, 29-(2-methylpropanoyl) C34H44O12 644.283276 NA MeJP NA NA +MJ088249 Meliatoxin A2 C34H44O12 644.283276 NA MeJP NA NA +MJ088250 Meliatoxin B2 C34H44O12 644.283276 NA MeJP NA NA +MJ088251 Rohituka 5 C34H44O12 644.283276 NA MeJP NA NA +MJ088252 Taccalonolide F; 11-Deoxy C34H44O12 644.283276 NA MeJP NA NA +PJ011756 APPTEM C27H44N6O10S 644.284 NA PeJP NA NA +PJ011757 GSPNDR C24H40N10O11 644.2878 NA PeJP NA NA +PJ011758 GGGGGGGVQ C24H40N10O11 644.2879 NA PeJP NA NA +PJ011759 AMMHR C25H44N10O6S2 644.2887 NA PeJP NA NA +PJ011760 TTTHW C29H40N8O9 644.2918 NA PeJP NA NA +MJ088253 Biphenomycin A; N25-(2-Amino-5-guanidinylpentanoyl) C29H40N8O9 644.291824 NA MeJP NA NA +PJ011761 GGPTQW C29H40N8O9 644.2919 NA PeJP NA NA +MJ088254 Apicularen A; 4-O-(2-Acetamido-2-deoxy-?-D-glucopyranoside) C33H44N2O11 644.29451 NA MeJP NA NA +PJ011762 TKEMH C26H44N8O9S 644.2952 NA PeJP NA NA +PJ011763 GQFFF C34H40N6O7 644.2959 NA PeJP NA NA +MJ088255 3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3,7-Dibenzoyl, 14,15-di-Ac C38H44O9 644.298533 NA MeJP NA NA +MJ088256 Ohchinin; Ac C38H44O9 644.298533 NA MeJP NA NA +PJ011764 NNNQR C23H40N12O10 644.2991 NA PeJP NA NA +PJ011765 GKMFY C31H44N6O7S 644.2992 NA PeJP NA NA +PJ011766 GPPPMF C31H44N6O7S 644.2993 NA PeJP NA NA +PJ011767 APTLDE C27H44N6O12 644.3017 NA PeJP NA NA +PJ011768 GPTLEE C27H44N6O12 644.3018 NA PeJP NA NA +PJ011769 GPPLMM C28H48N6O7S2 644.3026 NA PeJP NA NA +PJ011770 GEHFR C28H40N10O8 644.3031 NA PeJP NA NA +MJ088257 Atractyligenin; 2-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C31H48O14 644.304406 NA MeJP NA NA +PJ011771 TTMHR C25H44N10O8S 644.3064 NA PeJP NA NA +PJ011772 GGPQMR C25H44N10O8S 644.3065 NA PeJP NA NA +PJ011773 GVHFW C33H40N8O6 644.3071 NA PeJP NA NA +PJ011774 SSTTLH C26H44N8O11 644.313 NA PeJP NA NA +PJ011775 VKMMH C27H48N8O6S2 644.3139 NA PeJP NA NA +PJ011776 SKHHH C27H40N12O7 644.3143 NA PeJP NA NA +PJ011777 PTLEW C31H44N6O9 644.317 NA PeJP NA NA +PJ011778 PCNRR C24H44N12O7S 644.3177 NA PeJP NA NA +PJ011779 HFRW C32H40N10O5 644.3183 NA PeJP NA NA +MJ088258 Fevicordin F; 25-Deoxy, 6,7,25,26-tetradehydro, 2-O-?-D-glucopyranoside C35H48O11 644.319662 NA MeJP NA NA +MJ088259 Nimbolidin A; 7-Deacyl, 7-(2-methylpropanoyl), 11-O-de-Ac C35H48O11 644.319662 NA MeJP NA NA +PJ011780 GPVLEM C28H48N6O9S 644.3204 NA PeJP NA NA +PJ011781 VNQER C25H44N10O10 644.3242 NA PeJP NA NA +PJ011782 SPQKW C30H44N8O8 644.3282 NA PeJP NA NA +PJ011783 GGGGVLW C30H44N8O8 644.3283 NA PeJP NA NA +PJ011784 PLEMR C27H48N8O8S 644.3316 NA PeJP NA NA +PJ011785 PPVFW C35H44N6O6 644.3323 NA PeJP NA NA +PJ011786 GQERR C24H44N12O9 644.3354 NA PeJP NA NA +PJ011787 GGAERR C24H44N12O9 644.3355 NA PeJP NA NA +PJ011788 PVLMW C32H48N6O6S 644.3356 NA PeJP NA NA +MJ088260 Ervafolene; 19'-Hydroxy C40H44N4O4 644.336255 NA MeJP NA NA +MJ088261 Ervafoline C40H44N4O4 644.336255 NA MeJP NA NA +PJ011789 AALLEE C28H48N6O11 644.3381 NA PeJP NA NA +PJ011790 GVQRW C29H44N10O7 644.3395 NA PeJP NA NA +MJ088262 17,19-Kauranediol, 19-Carboxylic acid, 17-O-?-D-glucopyranoside, ?-D-glucopyranosyl ester C32H52O13 644.340791 NA MeJP NA NA +MJ088263 3-Hydroxy-1,6,10,14-phytatetraen-16-oic acid, 3-O-[?-D-Glucopyranosyl(1?2)-D-glucopyranoside] C32H52O13 644.340791 NA MeJP NA NA +MJ088264 8(17),13-Labdadiene-15,18-diol, 18-Carboxylic acid, 15,18-di-O-?-D-glucopyranoside C32H52O13 644.340791 NA MeJP NA NA +MJ088265 8(17),13-Labdadiene-15,19-diol, 19-Carboxylic acid, 15-?-D-glucopyranoside, 19-?-D-glucopyranosyl ester C32H52O13 644.340791 NA MeJP NA NA +PJ011791 PNKMR C26H48N10O7S 644.3428 NA PeJP NA NA +PJ011792 GGPKMR C26H48N10O7S 644.3429 NA PeJP NA NA +PJ011793 VLEER C27H48N8O10 644.3494 NA PeJP NA NA +PJ011794 QRRW C28H44N12O6 644.3507 NA PeJP NA NA +3805 ileum contracting peptide YPLPR 644.352 ACE inhibitor Inhouse_peptide NA peptide +MJ088266 Protactin C32H48N6O8 644.353362 NA MeJP NA NA +PJ011795 VVLEW C32H48N6O8 644.3534 NA PeJP NA NA +MJ088267 22,23-Dihydroxymilbemycin ?1; 23-O-(2-Methylbutanoyl) C36H52O10 644.356047 NA MeJP NA NA +PJ011796 APTLLM C29H52N6O8S 644.3568 NA PeJP NA NA +PJ011797 VNKER C26H48N10O9 644.3606 NA PeJP NA NA +PJ011798 SPKKW C31H48N8O7 644.3646 NA PeJP NA NA +PJ011799 AAPKKM C28H52N8O7S 644.368 NA PeJP NA NA +MJ088268 Nilgherron A C40H52O7 644.371304 NA MeJP NA NA +PJ011800 GKERR C25H48N12O8 644.3718 NA PeJP NA NA +MJ088269 Accedinisine C41H48N4O3 644.372641 NA MeJP NA NA +MJ088270 Macralstonidine C41H48N4O3 644.372641 NA MeJP NA NA +MJ088271 Melomorsine C41H48N4O3 644.372641 NA MeJP NA NA +PJ011801 GTLLLE C29H52N6O10 644.3745 NA PeJP NA NA +MJ088272 Glycylalanylprolylmethionylphenylalanylvalinamide; 4-L-Arginine analogue C30H48N10O6 644.375829 NA MeJP NA NA +PJ011802 GVKRW C30H48N10O6 644.3759 NA PeJP NA NA +MJ088273 16,17,18-Kauranetriol, 18-O-[?-L-Rhamnopyranosyl-(1?6)-4-O-methyl-?-D-glucopyranoside] C33H56O12 644.377177 NA MeJP NA NA +PJ011803 GTRRR C24H48N14O7 644.3831 NA PeJP NA NA +PJ011804 LQKKE C28H52N8O9 644.3857 NA PeJP NA NA +PJ011805 GALKKE C28H52N8O9 644.3858 NA PeJP NA NA +PJ011806 KRRW C29H48N12O5 644.3871 NA PeJP NA NA +PJ011807 TLLLW C33H52N6O7 644.3898 NA PeJP NA NA +MJ088274 3,7,15,22-Tetrahydroxylanosta-8,24-dien-26-oic acid, 3,15,22-Tri-Ac, 7-Me ether C37H56O9 644.392433 NA MeJP NA NA +MJ088275 Gentinone A; Deepoxy, 24R,25-dihydroxy, 7-Ac C37H56O9 644.392433 NA MeJP NA NA +PJ011808 ACILLL C30H56N6O7S 644.3931 NA PeJP NA NA +PJ011809 GVLLLM C30H56N6O7S 644.3932 NA PeJP NA NA +PJ011810 VDKKR C27H52N10O8 644.397 NA PeJP NA NA +MJ088276 Plactin; Plactin A C32H52N8O6 644.400981 NA MeJP NA NA +MJ088277 Plactin; Plactin B C32H52N8O6 644.400981 NA MeJP NA NA +PJ011811 ALKKW C32H52N8O6 644.401 NA PeJP NA NA +PJ011812 LLLMR C29H56N8O6S 644.4044 NA PeJP NA NA +PJ011813 SVKRR C26H52N12O7 644.4082 NA PeJP NA NA +PJ011814 SSLLLL C30H56N6O9 644.4109 NA PeJP NA NA +PJ011815 LKKKE C29H56N8O8 644.4221 NA PeJP NA NA +MJ088278 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-Hexadecanoyl, 13-Ac C38H60O8 644.428818 NA MeJP NA NA +MJ088279 8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Octadecanoyl, 8-(2-methylbutanoyl) C38H60O8 644.428818 NA MeJP NA NA +MJ088280 8-(2,8-Dihydroxy-1,3,7-trimethyl-4-oxo-5-nonenyl)-20-hydroxy-1,3,9,13-tetramethyl-16-pentyl-7,17,19-trioxabicyclo[13.4.1]eicosa-2,4,10,12-tetraen-6-one C38H60O8 644.428818 NA MeJP NA NA +PJ011816 TLKKR C28H56N10O7 644.4334 NA PeJP NA NA +MJ088281 Coriaheptocin A C35H64O10 644.449948 NA MeJP NA NA +MJ088282 9-Hydroxy-3-methyl-2-decenoic acid, O-Tricosanoyl, 2-sulfoethyl ester C36H68O7S 644.468575 NA MeJP NA NA +MJ088283 Foliosate C43H64O4 644.48046 NA MeJP NA NA +MJ088284 Glandulosate C43H64O4 644.48046 NA MeJP NA NA +MJ088285 Nidoanomalin C43H64O4 644.48046 NA MeJP NA NA +MJ088286 Petiolate C43H64O4 644.48046 NA MeJP NA NA +MJ088287 1(19),7,10,12-Xenecatetraene-6,14,17,18-tetrol, 17-Octadecanoyl, 18-Ac C40H68O6 644.501589 NA MeJP NA NA +HMDB05215 DG(18:0/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] C41H72O5 644.53796 http://www.hmdb.ca/metabolites/HMDB05215 HMDB NA NA +HMDB05215 DG(18:0/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] C41H72O5 644.53796 HMDB05215 PFEM_hmdb_metabocards_official NA NA +HMDB07118 DG(16:0/22:4(7Z,10Z,13Z,16Z)/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07170 DG(18:0/20:4(5Z,8Z,11Z,14Z)/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07171 DG(18:0/20:4(8Z,11Z,14Z,17Z)/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07198 DG(18:1(11Z)/20:3(8Z,11Z,14Z)/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07226 DG(18:1(9Z)/20:3(5Z,8Z,11Z)/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07227 DG(18:1(9Z)/20:3(8Z,11Z,14Z)/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07254 DG(18:2(9Z,12Z)/20:2(11Z,14Z)/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07282 DG(18:3(6Z,9Z,12Z)/20:1(11Z)/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07311 DG(18:3(9Z,12Z,15Z)/20:1(11Z)/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07339 DG(18:4(6Z,9Z,12Z,15Z)/20:0/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07367 DG(20:0/18:4(6Z,9Z,12Z,15Z)/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07394 DG(20:1(11Z)/18:3(6Z,9Z,12Z)/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07395 DG(20:1(11Z)/18:3(9Z,12Z,15Z)/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07422 DG(20:2(11Z,14Z)/18:2(9Z,12Z)/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07449 DG(20:3(5Z,8Z,11Z)/18:1(11Z)/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07450 DG(20:3(5Z,8Z,11Z)/18:1(9Z)/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07478 DG(20:3(8Z,11Z,14Z)/18:1(11Z)/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07479 DG(20:3(8Z,11Z,14Z)/18:1(9Z)/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07506 DG(20:4(5Z,8Z,11Z,14Z)/18:0/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07535 DG(20:4(8Z,11Z,14Z,17Z)/18:0/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +HMDB07678 DG(22:4(7Z,10Z,13Z,16Z)/16:0/0:0) C41H72O5 644.537964 NA HMDB2010 NA NA +MJ088288 21-Hydroxy-2-methyl-1,5-tritetracontadien-7-one C44H84O2 644.647131 NA MeJP NA NA +8120 peptide derived from giant squid muscle (Dosidicus gigas) NADFGLNGLEGLA 644.80585 MH2+ Inhouse_peptide NA peptide +MJ088289 Amiodarone C25H29I2NO3 645.02368 NA MeJP NA NA +C06823 Amiodarone C25H29I2NO3 645.0237 NA KEGG NA NA +PJ011817 SCCCCQ C20H35N7O9S4 645.1379 NA PeJP NA NA +C06883 Cefoperazone C25H27N9O8S2 645.1424 NA KEGG NA NA +MJ088290 Cefoperazone C25H27N9O8S2 645.1424 NA MeJP NA NA +PJ011818 GSSSCCC C20H35N7O11S3 645.1557 NA PeJP NA NA +PJ011819 GCCCNF C24H35N7O8S3 645.171 NA PeJP NA NA +PJ011820 SCCCCK C21H39N7O8S4 645.1743 NA PeJP NA NA +PJ011821 CDDMY C25H35N5O11S2 645.1775 NA PeJP NA NA +PJ011822 CMMMM C23H43N5O6S5 645.1817 NA PeJP NA NA +PJ011823 GSCCNY C24H35N7O10S2 645.1887 NA PeJP NA NA +PJ011824 CDMMF C26H39N5O8S3 645.1961 NA PeJP NA NA +PJ011825 DDEMH C24H35N7O12S 645.2065 NA PeJP NA NA +PJ011826 CDDFF C29H35N5O10S 645.2105 NA PeJP NA NA +PJ011827 SDMMY C26H39N5O10S2 645.2139 NA PeJP NA NA +PJ011828 CCHHF C27H35N9O6S2 645.2152 NA PeJP NA NA +PJ011829 GSCNEH C23H35N9O11S 645.2177 NA PeJP NA NA +PJ011830 GPNDDE C24H35N7O14 645.2242 NA PeJP NA NA +PJ011831 GDEYY C29H35N5O12 645.2282 NA PeJP NA NA +MJ088291 L-Tyrosyl-3-mercapto-D-valylglycyl-L-phenylalanyl-3-mercapto-D-valine cyclic(2?5)-disulfide C30H39N5O7S2 645.22909 NA MeJP NA NA +MJ088292 Ustiloxin B C26H39N5O12S 645.231592 NA MeJP NA NA +MJ088293 Daunomycin; 13-(2-Benzoylhydrazone) C34H35N3O10 645.232244 NA MeJP NA NA +PJ011832 AMMMY C27H43N5O7S3 645.2325 NA PeJP NA NA +PJ011833 SCNHW C27H35N9O8S 645.233 NA PeJP NA NA +PJ011834 SSSNDH C23H35N9O13 645.2355 NA PeJP NA NA +PJ011835 NNMMH C24H39N9O8S2 645.2363 NA PeJP NA NA +PJ011836 PNDDW C28H35N7O11 645.2395 NA PeJP NA NA +PJ011837 TEEMH C25H39N7O11S 645.2429 NA PeJP NA NA +PJ011838 DYYW C33H35N5O9 645.2435 NA PeJP NA NA +PJ011839 PMMMH C26H43N7O6S3 645.2437 NA PeJP NA NA +PJ011840 GNNNNN C22H35N11O12 645.2467 NA PeJP NA NA +PJ011841 PTCYY C30H39N5O9S 645.2469 NA PeJP NA NA +PJ011842 CCQHR C23H39N11O7S2 645.2476 NA PeJP NA NA +C06802 Acarbose C25H43NO18 645.248 NA KEGG NA NA +MJ088294 Acarbose C25H43NO18 645.248013 NA MeJP NA NA +PJ011843 TTMMY C27H43N5O9S2 645.2502 NA PeJP NA NA +PJ011844 NNDHF C27H35N9O10 645.2507 NA PeJP NA NA +PJ011845 GSSQMH C24H39N9O10S 645.2541 NA PeJP NA NA +MJ088295 Milliamine H; 2'-De(methylamino), 2'-hydroxy C36H39NO10 645.257396 NA MeJP NA NA +PJ011846 GSPPCW C29H39N7O8S 645.2581 NA PeJP NA NA +PJ011847 GSPQEE C25H39N7O13 645.2606 NA PeJP NA NA +PJ011848 VEMMH C26H43N7O8S2 645.2615 NA PeJP NA NA +PJ011849 SEHHH C26H35N11O9 645.262 NA PeJP NA NA +PJ011850 MFYW C34H39N5O6S 645.2621 NA PeJP NA NA +MJ088296 Prednimustine C35H45Cl2NO6 645.262393 NA MeJP NA NA +PJ011851 ATEYY C30H39N5O11 645.2646 NA PeJP NA NA +PJ011852 GSSCHR C23H39N11O9S 645.2653 NA PeJP NA NA +PJ011853 AMMFF C31H43N5O6S2 645.2655 NA PeJP NA NA +MJ088297 Spermidine; N-(4-Hydroxy-3-methoxycinnamoyl), N',N''-bis(3,4-dihydroxycinnamoyl) C35H39N3O9 645.268629 NA MeJP NA NA +PJ011854 SSSTQH C24H39N9O12 645.2718 NA PeJP NA NA +PJ011855 GSPDDR C24H39N9O12 645.2719 NA PeJP NA NA +PJ011856 APPCCR C25H43N9O7S2 645.2727 NA PeJP NA NA +PJ011857 SPQEW C29H39N7O10 645.2759 NA PeJP NA NA +MJ088298 4-Methylaconitane-1,6,8,10,13,14,15,16,18-nonol, O6,O16,O18-Tri-Me, 14-benzoyl, 8,N-di-Ac C33H43NO12 645.278525 NA MeJP NA NA +PJ011858 AAPQEM C26H43N7O10S 645.2792 NA PeJP NA NA +PJ011859 GGGPVEM C26H43N7O10S 645.2793 NA PeJP NA NA +PJ011860 GPFYY C34H39N5O8 645.2799 NA PeJP NA NA +PJ011861 CLHHH C27H39N11O6S 645.2806 NA PeJP NA NA +PJ011862 NNNER C23H39N11O11 645.2831 NA PeJP NA NA +PJ011863 GLMYY C31H43N5O8S 645.2832 NA PeJP NA NA +PJ011864 CCKHR C24H43N11O6S2 645.2839 NA PeJP NA NA +PJ011865 GQQQW C28H39N9O9 645.2871 NA PeJP NA NA +PJ011866 PNEMR C25H43N9O9S 645.2905 NA PeJP NA NA +PJ011867 GPTWW C33H39N7O7 645.2911 NA PeJP NA NA +PJ011868 PVNMW C30H43N7O7S 645.2945 NA PeJP NA NA +PJ011869 FFFW C38H39N5O5 645.2951 NA PeJP NA NA +PJ011870 GSPKEE C26H43N7O12 645.297 NA PeJP NA NA +PJ011871 APPCKM C27H47N7O7S2 645.2979 NA PeJP NA NA +PJ011872 GNNRW C27H39N11O8 645.2983 NA PeJP NA NA +PJ011873 GGGGGRW C27H39N11O8 645.2984 NA PeJP NA NA +PJ011874 STLYY C31H43N5O10 645.301 NA PeJP NA NA +PJ011875 PCDRR C24H43N11O8S 645.3017 NA PeJP NA NA +PJ011876 GPMRW C29H43N9O6S 645.3057 NA PeJP NA NA +MJ088299 Kanamycin B; 4'-O-?-D-Glucopyranosyl C24H47N5O15 645.306865 NA MeJP NA NA +PJ011877 VNEER C25H43N9O11 645.3082 NA PeJP NA NA +PJ011878 GGGGAAKE C25H43N9O11 645.3083 NA PeJP NA NA +PJ011879 CKKMH C26H47N9O6S2 645.3091 NA PeJP NA NA +PJ011880 SPKEW C30H43N7O9 645.3122 NA PeJP NA NA +PJ011881 GAALEW C30H43N7O9 645.3123 NA PeJP NA NA +C06091 Aconitine C34H47NO11 645.3149 NA KEGG NA NA +MJ088300 4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-benzoyl, 3-Ac C34H47NO11 645.314911 NA MeJP NA NA +MJ088301 4-Methylaconitane-1,6,8,10,13,14,15,16,18-nonol, O1,O6,O16O18-Tetra-Me, N-Et, 14-benzoyl, 8-Ac C34H47NO11 645.314911 NA MeJP NA NA +MJ088302 Aconitine C34H47NO11 645.314911 NA MeJP NA NA +MJ088303 Altaconitine; 3-Deoxy, 2-epimer C34H47NO11 645.314911 NA MeJP NA NA +PJ011882 AAPKEM C27H47N7O9S 645.3156 NA PeJP NA NA +PJ011883 GLFFY C35H43N5O7 645.3163 NA PeJP NA NA +PJ011884 GEERR C24H43N11O10 645.3195 NA PeJP NA NA +MJ088304 3-[4-[3-[4-(2-Methoxyphenyl)-1-piperazinyl]-1-(4-methylphenyl)propoxy]benzoyl]-1H-indole-1-butanoic acid C40H43N3O5 645.320271 NA MeJP NA NA +PJ011885 GVERW C29H43N9O8 645.3235 NA PeJP NA NA +PJ011886 PDKMR C26H47N9O8S 645.3269 NA PeJP NA NA +PJ011887 AALWW C34H43N7O6 645.3275 NA PeJP NA NA +7023 synthetic peptide from alpha-gliadin LCCQHLWQIPEQ 645.3285 MH2+ Inhouse_peptide NA peptide +PJ011888 SNNRR C23H43N13O9 645.3307 NA PeJP NA NA +MJ088305 Glycylalanylprolylmethionylphenylalanylvalinamide; 2-L-Proline analogue C31H47N7O6S 645.330852 NA MeJP NA NA +PJ011889 PCLKW C31H47N7O6S 645.3309 NA PeJP NA NA +PJ011890 LQKEE C27H47N7O11 645.3334 NA PeJP NA NA +PJ011891 ERRW C28H43N11O7 645.3347 NA PeJP NA NA +PJ011892 SPMRR C25H47N11O7S 645.3381 NA PeJP NA NA +PJ011893 VRWW C33H43N9O5 645.3387 NA PeJP NA NA +PJ011894 VDKER C26H47N9O10 645.3446 NA PeJP NA NA +PJ011895 ALKEW C31H47N7O8 645.3486 NA PeJP NA NA +MJ088306 Ganefromycin ?; 23?-Hydroxy, O-de-Me C35H51NO10 645.351296 NA MeJP NA NA +MJ088307 Yunaconitine; O-De-Ac, O8-Et C35H51NO10 645.351296 NA MeJP NA NA +2721 erythromycin inhibitor MVQLR 645.3514 NA Inhouse_peptide NA peptide +PJ011896 GPTLKM C28H51N7O8S 645.352 NA PeJP NA NA +MJ088308 Zizyphine C C36H47N5O6 645.352634 NA MeJP NA NA +MJ088309 Zizyphine I C36H47N5O6 645.352634 NA MeJP NA NA +PJ011897 SVERR C25H47N11O9 645.3558 NA PeJP NA NA +PJ011898 GGTQKR C25H47N11O9 645.3559 NA PeJP NA NA +PJ011899 ATLRW C30H47N9O7 645.3599 NA PeJP NA NA +MJ088310 Libanomycin A C34H51N3O9 645.36253 NA MeJP NA NA +PJ011900 VLQMR C27H51N9O7S 645.3632 NA PeJP NA NA +PJ011901 GGLLMR C27H51N9O7S 645.3633 NA PeJP NA NA +MJ088311 Janthitrem E; O10-Ac C39H51NO7 645.366552 NA MeJP NA NA +PJ011902 LKKEE C28H51N7O10 645.3698 NA PeJP NA NA +PJ011903 APFRR C29H47N11O6 645.3711 NA PeJP NA NA +PJ011904 ALMRR C26H51N11O6S 645.3745 NA PeJP NA NA +PJ011905 TLKER C27H51N9O9 645.381 NA PeJP NA NA +PJ011906 SLLKW C32H51N7O7 645.385 NA PeJP NA NA +MJ088312 Antascomicin; Antascomicin D C36H55NO9 645.387682 NA MeJP NA NA +PJ011907 AALLKM C29H55N7O7S 645.3884 NA PeJP NA NA +PJ011908 TTLRR C26H51N11O8 645.3922 NA PeJP NA NA +PJ011909 GKKKW C31H51N9O6 645.3963 NA PeJP NA NA +PJ011910 VLKMR C28H55N9O6S 645.3996 NA PeJP NA NA +PJ011911 SSVLLK C29H55N7O9 645.4061 NA PeJP NA NA +PJ011912 ATTLLK C29H55N7O9 645.4062 NA PeJP NA NA +PJ011913 DKKKK C28H55N9O8 645.4174 NA PeJP NA NA +MJ088313 Pentabromo-2-propanone; Enol dibromoacetate C5HBr7O2 645.426017 NA MeJP NA NA +PJ011914 SKKKR C27H55N11O7 645.4286 NA PeJP NA NA +HMDB08883 PE(14:1(9Z)/P-16:0) C35H68NO7P 645.473328 NA HMDB2010 NA NA +HMDB11336 PE(P-16:0/14:1(9Z)) C35H68NO7P 645.473328 NA HMDB2010 NA NA +HMDB06749 Ceramide 1-phosphate C36H72NO6P 645.5097 http://www.hmdb.ca/metabolites/HMDB06749 HMDB NA NA +HMDB06749 Ceramide 1-phosphate C36H72NO6P 645.5097 HMDB06749 PFEM_hmdb_metabocards_official NA NA +HMDB10701 CerP(d18:1/18:0) C36H72NO6P 645.509705 NA HMDB2010 NA NA +MJ088314 Bibrocathol C6HBiBr4O3 645.646302 NA MeJP NA NA +3594 heparin-binding peptide WQWRCKKLGA 645.8235 MH2+ Inhouse_peptide NA peptide +MJ088315 Ageliferin; 1,1'-Di-N-Me C24H28Br2N10O2 646.076345 NA MeJP NA NA +MJ088316 Ageliferin; 2'-Bromo, 3'-debromo, 1,1'-di-N-Me C24H28Br2N10O2 646.076345 NA MeJP NA NA +MJ088317 Piprocurarium(2+), Iodide C23H40I2N2O3 646.112829 NA MeJP NA NA +PJ011915 SCCCCE C20H34N6O10S4 646.122 NA PeJP NA NA +MJ088318 3-[1-[[2-Hydroxy-3-[hydroxy[5-[[3-(4-hydroxy-3-iodophenyl)-1-oxopropyl]amino]pentyl]phosphinyl]propyl]amino]ethyl]benzoic acid C26H36IN2O7P 646.130481 NA MeJP NA NA +MJ088319 Salafibrate C32H32Cl2O10 646.137252 NA MeJP NA NA +PJ011916 GCCCMM C21H38N6O7S5 646.1406 NA PeJP NA NA +PJ011917 GCCCDF C24H34N6O9S3 646.155 NA PeJP NA NA +PJ011918 STCCCM C21H38N6O9S4 646.1583 NA PeJP NA NA +MJ088320 Antibiotic SC 28763 C34H30O13 646.168641 NA MeJP NA NA +MJ088321 Aphthosin C34H30O13 646.168641 NA MeJP NA NA +PJ011919 GSCCDY C24H34N6O11S2 646.1727 NA PeJP NA NA +MJ088322 3,3',4,4',5,5',7-Heptahydroxyflavan; 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucopyranoside] C27H34O18 646.174514 NA MeJP NA NA +MJ088323 Elloramycin C C31H34O15 646.18977 NA MeJP NA NA +MJ088324 Elloramycin D C31H34O15 646.18977 NA MeJP NA NA +PJ011920 CCQMY C25H38N6O8S3 646.1913 NA PeJP NA NA +PJ011921 GACCMY C25H38N6O8S3 646.1914 NA PeJP NA NA +MJ088325 Ovihernangerine C37H30N2O9 646.19513 NA MeJP NA NA +PJ011922 GCCNNH C22H34N10O9S2 646.1952 NA PeJP NA NA +PJ011923 GSCDEH C23H34N8O12S 646.2017 NA PeJP NA NA +MJ088326 Antibiotic PI 061 C31H38N2O9S2 646.201872 NA MeJP NA NA +PJ011924 CCCRY C24H38N8O7S3 646.2026 NA PeJP NA NA +MJ088327 Kodaistatin A; 3''-Hydroxy C35H34O12 646.205026 NA MeJP NA NA +MJ088328 Kodaistatin A; Stereoisomer(?), 3''-hydroxy C35H34O12 646.205026 NA MeJP NA NA +PJ011925 APDDDD C24H34N6O15 646.2082 NA PeJP NA NA +PJ011926 GPDDDE C24H34N6O15 646.2083 NA PeJP NA NA +PJ011927 GSSCMY C25H38N6O10S2 646.2091 NA PeJP NA NA +MJ088329 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C28H38O17 646.210899 NA MeJP NA NA +PJ011928 SCDHW C27H34N8O9S 646.217 NA PeJP NA NA +PJ011929 SSSDDH C23H34N8O14 646.2195 NA PeJP NA NA +MJ088330 Mulberrofuran O C39H34O9 646.220282 NA MeJP NA NA +PJ011930 NDMMH C24H38N8O9S2 646.2203 NA PeJP NA NA +PJ011931 GGDMMH C24H38N8O9S2 646.2204 NA PeJP NA NA +PJ011932 PDDDW C28H34N6O12 646.2235 NA PeJP NA NA +PJ011933 CCQFF C29H38N6O7S2 646.2244 NA PeJP NA NA +FL5FAAGI0006 Noranhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside C32H38O14 646.22615 135293-12-8 knapsack NA NA +FL5FABGI0003 Sagittatoside B C32H38O14 646.22615 118525-36-3 knapsack NA NA +MJ088331 1,2,3,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-Ketone, 1-benzoyl, 2,3,6,9,14-penta-Ac C32H38O14 646.226155 NA MeJP NA NA +MJ088332 3,4',5,7-Tetrahydroxy-8-prenylflavone; 3,7-Di-O-?-L-rhamnopyranoside C32H38O14 646.226155 NA MeJP NA NA +MJ088333 3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside] C32H38O14 646.226155 NA MeJP NA NA +MJ088334 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-xylopyranosyl-(1?2)-?-L-rhamnopyranoside] C32H38O14 646.226155 NA MeJP NA NA +MJ088335 4',5,7-Trihydroxy-3'-prenylflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C32H38O14 646.226155 NA MeJP NA NA +MJ088336 4',5,7-Trihydroxy-8-prenylflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C32H38O14 646.226155 NA MeJP NA NA +MJ088337 Antibiotic NG 011; 14-Deoxy C32H38O14 646.226155 NA MeJP NA NA +MJ088338 Isoligustrosidic acid; 3''-Hydroxy, [(4-hydroxyphenyl)ethyl] ester C32H38O14 646.226155 NA MeJP NA NA +MJ088339 Isoligustrosidic acid; [(3,4-Dihydroxyphenyl)ethyl] ester C32H38O14 646.226155 NA MeJP NA NA +MJ088340 Orbuticin C32H38O14 646.226155 NA MeJP NA NA +PJ011934 SSSTCY C25H38N6O12S 646.2268 NA PeJP NA NA +PJ011935 SPPCDE C25H38N6O12S 646.2269 NA PeJP NA NA +PJ011936 CCKMY C26H42N6O7S3 646.2277 NA PeJP NA NA +PJ011937 GNNNND C22H34N10O13 646.2307 NA PeJP NA NA +MJ088341 Bis(5-hydroxynoracronycine) C38H34N2O8 646.231516 NA MeJP NA NA +PJ011938 CCEHR C23H38N10O8S2 646.2316 NA PeJP NA NA +PJ011939 NDDHF C27H34N8O11 646.2347 NA PeJP NA NA +PJ011940 ACMHW C28H38N8O6S2 646.2356 NA PeJP NA NA +PJ011941 GSSEMH C24H38N8O11S 646.2381 NA PeJP NA NA +PJ011942 CNHHH C25H34N12O7S 646.2394 NA PeJP NA NA +PJ011943 GGCHHH C25H34N12O7S 646.2395 NA PeJP NA NA +MJ088342 Calyflorenone B C36H38O11 646.241412 NA MeJP NA NA +MJ088343 Voamatin C; 3-Deacyl, 3-cinnamoyl C36H38O11 646.241412 NA MeJP NA NA +PJ011944 GNMYY C29H38N6O9S 646.2421 NA PeJP NA NA +PJ011945 GSPEEE C25H38N6O14 646.2446 NA PeJP NA NA +PJ011946 GPPDMM C26H42N6O9S2 646.2455 NA PeJP NA NA +MJ088344 Deacylsuspensolide; 1-O-(2-Methylbutanoyl), 2',3',7,10-tetra-Ac C29H42O16 646.247285 NA MeJP NA NA +MJ088345 Deacylsuspensolide; 1-O-(3-Methylbutanoyl), 2',3',7,10-tetra-Ac C29H42O16 646.247285 NA MeJP NA NA +MJ088346 Deacylsuspensolide; 1-O-(3-Methylbutanoyl), 2',6',7,10-tetra-Ac C29H42O16 646.247285 NA MeJP NA NA +PJ011947 SSMHW C28H38N8O8S 646.2533 NA PeJP NA NA +PJ011948 TTCHW C28H38N8O8S 646.2534 NA PeJP NA NA +PJ011949 SSSTEH C24H38N8O13 646.2558 NA PeJP NA NA +PJ011950 NQQEE C24H38N8O13 646.2559 NA PeJP NA NA +MJ088347 Bianthrone A2b C40H38O8 646.256668 NA MeJP NA NA +MJ088348 Dorstenone C40H38O8 646.256668 NA MeJP NA NA +MJ088349 Kuwanon J; 2,16''-Dideoxy C40H38O8 646.256668 NA MeJP NA NA +PJ011951 TQMMH C25H42N8O8S2 646.2567 NA PeJP NA NA +PJ011952 SPEEW C29H38N6O11 646.2599 NA PeJP NA NA +PJ011953 CCKFF C30H42N6O6S2 646.2607 NA PeJP NA NA +MJ088350 Dregeana 2 C33H42O13 646.262541 NA MeJP NA NA +PJ011954 AAPEEM C26H42N6O11S 646.2633 NA PeJP NA NA +PJ011955 GPPCHH C27H38N10O7S 646.2646 NA PeJP NA NA +MJ088351 Atractyligenin; 2-[2-(3-Methylbutanoyl)-3-O-sulfo-?-D-glucopyranoside] C30H46O13S 646.265912 NA MeJP NA NA +PJ011956 NNDER C23H38N10O12 646.2671 NA PeJP NA NA +PJ011957 TCMHR C24H42N10O7S2 646.268 NA PeJP NA NA +7881 peptide from myofibrillar protein, pork muscles IEAEGE 646.268 antibacterial Inhouse_peptide NA peptide +30 Myofibrillar IEAEGE 646.27 celiac toxic Inhouse_peptide NA peptide +PJ011958 GQQEW C28H38N8O10 646.2711 NA PeJP NA NA +PJ011959 PDEMR C25H42N8O10S 646.2745 NA PeJP NA NA +PJ011960 GNFFY C33H38N6O8 646.2751 NA PeJP NA NA +MJ088352 12-Hydroxydaphnetoxin; 12?-form, 12-(2E,4E,6E-Decatrienoyl) C37H42O10 646.277797 NA MeJP NA NA +MJ088353 Ohchinolide A C37H42O10 646.277797 NA MeJP NA NA +MJ088354 Resiniferonol; 14-(Phenylacetyl), 20-(3-hydroxy-5-methoxyphenylacetyl) C37H42O10 646.277797 NA MeJP NA NA +C09102 Gniditrin C37H42O10 646.2778 NA KEGG NA NA +PJ011961 PVDMW C30H42N6O8S 646.2785 NA PeJP NA NA +MJ088355 N-[2-[[[4-[2-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]amino]carbonyl]-4,5-dimethoxyphenyl]-3-quinolinecarboxamide C38H38N4O6 646.279134 NA MeJP NA NA +PJ011962 LQEEE C26H42N6O13 646.281 NA PeJP NA NA +MJ088356 Petuniasterone N C34H46O10S 646.281168 NA MeJP NA NA +PJ011963 APPTMM C27H46N6O8S2 646.2819 NA PeJP NA NA +PJ011964 GNDRW C27H38N10O9 646.2823 NA PeJP NA NA +PJ011965 GGGDRW C27H38N10O9 646.2824 NA PeJP NA NA +PJ011966 GSPCQR C24H42N10O9S 646.2857 NA PeJP NA NA +PJ011967 QQWW C32H38N8O7 646.2864 NA PeJP NA NA +MJ088357 Aglaine B; 3'-Hydroxy C36H42N2O9 646.28903 NA MeJP NA NA +MJ088358 Aglaine B; 3,4-Diepimer, 3'-hydroxy C36H42N2O9 646.28903 NA MeJP NA NA +MJ088359 Aglaxiflorin D C36H42N2O9 646.28903 NA MeJP NA NA +PJ011968 PCNKW C29H42N8O7S 646.2897 NA PeJP NA NA +PJ011969 GGPCKW C29H42N8O7S 646.2898 NA PeJP NA NA +PJ011970 STTTTH C25H42N8O12 646.2922 NA PeJP NA NA +PJ011971 VDEER C25H42N8O12 646.2923 NA PeJP NA NA +PJ011972 TKMMH C26H46N8O7S2 646.2931 NA PeJP NA NA +PJ011973 ALEEW C30H42N6O10 646.2963 NA PeJP NA NA +PJ011974 APHHW C31H38N10O6 646.2976 NA PeJP NA NA +MJ088360 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2-dibutanoyl, 6,14-di-Ac C34H46O12 646.298926 NA MeJP NA NA +MJ088361 Xyloccensin I C34H46O12 646.298926 NA MeJP NA NA +PJ011975 GPTLEM C27H46N6O10S 646.2996 NA PeJP NA NA +PJ011976 GMHFR C28H42N10O6S 646.301 NA PeJP NA NA +PJ011977 SQQER C24H42N10O11 646.3035 NA PeJP NA NA +PJ011978 GQKEW C29H42N8O9 646.3075 NA PeJP NA NA +MJ088362 Thyrsiferol; 23-Ac C32H55BrO8 646.308031 NA MeJP NA NA +PJ011979 GSPQKM C26H46N8O9S 646.3109 NA PeJP NA NA +PJ011980 PPTFW C34H42N6O7 646.3115 NA PeJP NA NA +MJ088363 Neogambogic acid C38H46O9 646.314183 NA MeJP NA NA +MJ088364 Nimbolinin B; 12-Me ether, O7-detigloyl, O1-de-Ac, O1-cinnamoyl C38H46O9 646.314183 NA MeJP NA NA +PJ011981 SNDRR C23H42N12O10 646.3147 NA PeJP NA NA +PJ011982 PTLMW C31H46N6O7S 646.3149 NA PeJP NA NA +PJ011983 LKEEE C27H46N6O12 646.3174 NA PeJP NA NA +PJ011984 GPVLMM C28H50N6O7S2 646.3183 NA PeJP NA NA +PJ011985 GTQRW C28H42N10O8 646.3187 NA PeJP NA NA +PJ011986 GGGGPFR C28H42N10O8 646.3188 NA PeJP NA NA +7018 synthetic peptide from alpha-gliadin PCMDVVLQQHNI 646.3201 MH2+ Inhouse_peptide NA peptide +PJ011987 VNQMR C25H46N10O8S 646.3221 NA PeJP NA NA +PJ011988 QKWW C33H42N8O6 646.3228 NA PeJP NA NA +MJ088365 Cytotrienin A; Quinone C37H46N2O8 646.325416 NA MeJP NA NA +PJ011989 PPMFR C30H46N8O6S 646.3261 NA PeJP NA NA +PJ011990 TLEER C26H46N8O11 646.3286 NA PeJP NA NA +PJ011991 PLMMR C27H50N8O6S2 646.3295 NA PeJP NA NA +PJ011992 PTHHR C27H42N12O7 646.33 NA PeJP NA NA +PJ011993 SLLEW C31H46N6O9 646.3326 NA PeJP NA NA +PJ011994 VTLEW C31H46N6O9 646.3327 NA PeJP NA NA +PJ011995 GQMRR C24H46N12O7S 646.3333 NA PeJP NA NA +PJ011996 GGAMRR C24H46N12O7S 646.3334 NA PeJP NA NA +MJ088366 Fevicordin F; 25-Deoxy, 23,24-dihydro, 25,26-didehydro, 22-ketone, 2-O-?-D-glucopyranoside C35H50O11 646.335312 NA MeJP NA NA +MJ088367 Fevicordin F; 25-Deoxy, 25,26-didehydro, 2-O-?-D-glucopyranoside C35H50O11 646.335312 NA MeJP NA NA +PJ011997 AALLEM C28H50N6O9S 646.336 NA PeJP NA NA +MJ088368 Chondramide A C36H46N4O7 646.336649 NA MeJP NA NA +MJ088369 Cholest-22-ene-3,6,15,24-tetrol, 24-O-[4-Sulfato-?-D-xylopyranoside] C32H54O11S 646.338683 NA MeJP NA NA +PJ011998 SQKER C25H46N10O10 646.3399 NA PeJP NA NA +PJ011999 GKKEW C30H46N8O8 646.3439 NA PeJP NA NA +PJ012000 GCRRR C23H46N14O6S 646.3446 NA PeJP NA NA +PJ012001 LQQKM C27H50N8O8S 646.3472 NA PeJP NA NA +PJ012002 VLEMR C27H50N8O8S 646.3473 NA PeJP NA NA +PJ012003 PVVFW C35H46N6O6 646.3479 NA PeJP NA NA +PJ012004 STQRR C24H46N12O9 646.3511 NA PeJP NA NA +PJ012005 VVLMW C32H50N6O6S 646.3513 NA PeJP NA NA +MJ088370 Criophylline C40H46N4O4 646.351905 NA MeJP NA NA +MJ088371 Ervafolidine; 14',15'-Deepoxy, 14',15'-didehydro C40H46N4O4 646.351905 NA MeJP NA NA +MJ088372 Pandaca caducifolia Alkaloid E C40H46N4O4 646.351905 NA MeJP NA NA +MJ088373 Pandaca caducifolia Alkaloid F C40H46N4O4 646.351905 NA MeJP NA NA +PJ012006 ATTLLE C28H50N6O11 646.3538 NA PeJP NA NA +PJ012007 GTKRW C29H46N10O7 646.3551 NA PeJP NA NA +MJ088374 1,6,10,14-Phytatetraene-3,12,17-triol, 3,17-Di-O-?-D-glucopyranoside C32H54O13 646.356441 NA MeJP NA NA +MJ088375 15,19-Dihydroxy-7-labden-6-one, Di-O-?-D-glucopyranoside C32H54O13 646.356441 NA MeJP NA NA +MJ088376 16,17,19-Kauranetriol, 17,19-Di-O-?-D-glucopyranoside C32H54O13 646.356441 NA MeJP NA NA +MJ088377 16,17,19-Kauranetriol, 19-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C32H54O13 646.356441 NA MeJP NA NA +MJ088378 16,17,19-Kauranetriol, 17,19-Di-O-?-D-glucopyranoside C32H54O13 646.356441 NA MeJP NA NA +MJ088379 2,16,17-Kauranetriol, O2,O17-Di-O-?-D-glucopyranoside C32H54O13 646.356441 NA MeJP NA NA +MJ088380 3,16,17-Kauranetriol, 3,17-Di-O-?-D-glucopyranoside C32H54O13 646.356441 NA MeJP NA NA +MJ088381 3-O-?-L-Rhamnopyranosyl-L-rhamnose; ?-Pyranose-form, Octyl glycoside, 4-O-hexanoyl, 2',3',4'-tri-Ac C32H54O13 646.356441 NA MeJP NA NA +MJ088382 8(14)-Pimarene-3,15,16-triol, 3,15-Di-O-?-D-glucopyranoside C32H54O13 646.356441 NA MeJP NA NA +MJ088383 8(17),13-Labdadiene-3,15,18-triol, 15,18-Di-O-?-D-glucopyranoside C32H54O13 646.356441 NA MeJP NA NA +MJ088384 8(17),13-Labdadiene-6,15,18-triol, 15,18-Di-O-?-D-Glucopyranoside C32H54O13 646.356441 NA MeJP NA NA +MJ088385 8(17),13-Labdadiene-6,15,19-triol, 15,19-Di-O-?-D-glucopyranoside C32H54O13 646.356441 NA MeJP NA NA +MJ088386 8(17)-Labdene-15,19-diol, 19-Carboxylic acid, 15-O-?-D-glucopyranoside, 19-?-D-glucopyranosyl ester C32H54O13 646.356441 NA MeJP NA NA +PJ012008 VNKMR C26H50N10O7S 646.3585 NA PeJP NA NA +PJ012009 KKWW C34H46N8O5 646.3591 NA PeJP NA NA +PJ012010 DKKKE C27H50N8O10 646.365 NA PeJP NA NA +PJ012011 VVHHR C28H46N12O6 646.3664 NA PeJP NA NA +PJ012012 AAPLLY C32H50N6O8 646.369 NA PeJP NA NA +PJ012013 GKMRR C25H50N12O6S 646.3697 NA PeJP NA NA +MJ088387 18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 7-Decanoyl, 6,18,19-tri-Ac C36H54O10 646.371697 NA MeJP NA NA +MJ088388 3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside C36H54O10 646.371697 NA MeJP NA NA +MJ088389 3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside C36H54O10 646.371697 NA MeJP NA NA +MJ088390 Abrusogenin; 3-O-?-D-Glucopyranoside C36H54O10 646.371697 NA MeJP NA NA +MJ088391 Hexamycin C36H54O10 646.371697 NA MeJP NA NA +C08920 Abrusoside A C36H54O10 646.3717 NA KEGG NA NA +PJ012014 GTLLLM C29H54N6O8S 646.3724 NA PeJP NA NA +PJ012015 SKKER C26H50N10O9 646.3762 NA PeJP NA NA +PJ012016 GSSLKR C26H50N10O9 646.3763 NA PeJP NA NA +PJ012017 SVKKW C31H50N8O7 646.3803 NA PeJP NA NA +PJ012018 LQKKM C28H54N8O7S 646.3836 NA PeJP NA NA +PJ012019 GALKKM C28H54N8O7S 646.3837 NA PeJP NA NA +PJ012020 STKRR C25H50N12O8 646.3875 NA PeJP NA NA +MJ088392 Tabernaemontabovine C41H50N4O3 646.388291 NA MeJP NA NA +PJ012021 STTLLL C29H54N6O10 646.3902 NA PeJP NA NA +PJ012022 LLKHH C30H50N10O6 646.3915 NA PeJP NA NA +PJ012023 CLKKR C27H54N10O6S 646.3949 NA PeJP NA NA +PJ012024 GTTLKK C28H54N8O9 646.4014 NA PeJP NA NA +PJ012025 AALLLF C33H54N6O7 646.4054 NA PeJP NA NA +MJ088393 3,15-Dihydroxy-12-oleanen-16-one, 3-O-(6-O-Methyl-?-D-glucuronopyranoside) C37H58O9 646.408083 NA MeJP NA NA +MJ088394 3,7-Dihydroxy-24-methylenelanost-8-en-21-oic acid, 3-Ketone, 7-O-?-D-glucopyranoside C37H58O9 646.408083 NA MeJP NA NA +MJ088395 Hederagenin 3-glycosides; Monoglycosides, 3-O-(2-O-Acetyl-?-L-arabinopyranoside) C37H58O9 646.408083 NA MeJP NA NA +MJ088396 Oleanolic acid 3-glycosides; Monoglycosides, 3-O-?-D-Glucuronopyranoside, 6'-Me ester C37H58O9 646.408083 NA MeJP NA NA +PJ012026 VLLFR C32H54N8O6 646.4167 NA PeJP NA NA +PJ012027 LKKKM C29H58N8O6S 646.42 NA PeJP NA NA +MJ088397 1,3,27,29-Triacontanetetrol, 27-Ketone, 1-O-?-D-glucopyranoside C36H70O9 646.501983 NA MeJP NA NA +MJ088398 1,3,27,29-Triacontanetetrol, 3-Ketone, 1-O-?-D-galactopyranoside C36H70O9 646.501983 NA MeJP NA NA +MJ088399 1,3,27,29-Triacontanetetrol, 3-Ketone, 1-O-?-D-glucopyranoside C36H70O9 646.501983 NA MeJP NA NA +EUR1034 d18:1-12:0 SM monoisotopic mass C35H71N2O6P 646.504976 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1034 d18:1-12:0 SM monoisotopic mass C35H71N2O6P 646.504976 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1034 d18:1-12:0 SM monoisotopic mass C35H71N2O6P 646.504976 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1034 d18:1-12:0 SM monoisotopic mass C35H71N2O6P 646.504976 masses lipides attendues Inhousejuil11 NA NA +HMDB12096 SM(d18:1/12:0) C35H71N2O6P 646.505005 NA HMDB2010 NA NA +EUR534 12 :0 SM F1 NA 646.510325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR534 12 :0 SM F1 NA 646.510325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR534 12 :0 SM F1 NA 646.510325 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR534 12 :0 SM F1 NA 646.510325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR534 12 :0 SM F1 NA 646.510325 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR534 12 :0 SM F1 NA 646.510325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR534 12 :0 SM F1 NA 646.510325 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR534 12 :0 SM F1 NA 646.510325 standards wishlist analysés sur QTOF HMDB NA NA +EUR534 12 :0 SM F1 NA 646.510325 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR534 12 :0 SM F1 NA 646.510325 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR534 12 :0 SM F1 NA 646.510325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR534 12 :0 SM F1 NA 646.510325 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ088400 41-Hydroxy-2,42-tritetracontapentaenediynoic acid; Me ester C44H70O3 646.532496 NA MeJP NA NA +HMDB05235 DG(18:2(9Z,12Z)/20:1(11Z)/0:0)[iso2] C41H74O5 646.55365 http://www.hmdb.ca/metabolites/HMDB05235 HMDB NA NA +HMDB05235 DG(18:2(9Z,12Z)/20:1(11Z)/0:0)[iso2] C41H74O5 646.55365 HMDB05235 PFEM_hmdb_metabocards_official NA NA +HMDB07146 DG(16:1(9Z)/22:2(13Z,16Z)/0:0) C41H74O5 646.55365 NA HMDB2010 NA NA +HMDB07168 DG(18:0/20:3(5Z,8Z,11Z)/0:0) C41H74O5 646.55365 NA HMDB2010 NA NA +HMDB07169 DG(18:0/20:3(8Z,11Z,14Z)/0:0) C41H74O5 646.55365 NA HMDB2010 NA NA +HMDB07196 DG(18:1(11Z)/20:2(11Z,14Z)/0:0) C41H74O5 646.55365 NA HMDB2010 NA NA +HMDB07225 DG(18:1(9Z)/20:2(11Z,14Z)/0:0) C41H74O5 646.55365 NA HMDB2010 NA NA +HMDB07253 DG(18:2(9Z,12Z)/20:1(11Z)/0:0) C41H74O5 646.55365 NA HMDB2010 NA NA +HMDB07281 DG(18:3(6Z,9Z,12Z)/20:0/0:0) C41H74O5 646.55365 NA HMDB2010 NA NA +HMDB07310 DG(18:3(9Z,12Z,15Z)/20:0/0:0) C41H74O5 646.55365 NA HMDB2010 NA NA +HMDB07365 DG(20:0/18:3(6Z,9Z,12Z)/0:0) C41H74O5 646.55365 NA HMDB2010 NA NA +HMDB07366 DG(20:0/18:3(9Z,12Z,15Z)/0:0) C41H74O5 646.55365 NA HMDB2010 NA NA +HMDB07393 DG(20:1(11Z)/18:2(9Z,12Z)/0:0) C41H74O5 646.55365 NA HMDB2010 NA NA +HMDB07420 DG(20:2(11Z,14Z)/18:1(11Z)/0:0) C41H74O5 646.55365 NA HMDB2010 NA NA +HMDB07421 DG(20:2(11Z,14Z)/18:1(9Z)/0:0) C41H74O5 646.55365 NA HMDB2010 NA NA +HMDB07448 DG(20:3(5Z,8Z,11Z)/18:0/0:0) C41H74O5 646.55365 NA HMDB2010 NA NA +HMDB07477 DG(20:3(8Z,11Z,14Z)/18:0/0:0) C41H74O5 646.55365 NA HMDB2010 NA NA +HMDB07650 DG(22:2(13Z,16Z)/16:1(9Z)/0:0) C41H74O5 646.55365 NA HMDB2010 NA NA +HMDB10369 CE(18:3(6Z,9Z,12Z)) C45H74O2 646.568909 NA HMDB2010 NA NA +HMDB10370 CE(18:3(9Z,12Z,15Z)) C45H74O2 646.568909 NA HMDB2010 NA NA +HMDB00604 Cholesteryl linolenic acid C45H74O2 646.56891 http://www.hmdb.ca/metabolites/HMDB00604 HMDB NA NA +HMDB03975 Cholesteryl octadecatrienoate C45H74O2 646.56891 http://www.hmdb.ca/metabolites/HMDB03975 HMDB NA NA +HMDB00604 Cholesteryl linolenic acid C45H74O2 646.56891 HMDB00604 PFEM_hmdb_metabocards_official NA NA +HMDB03975 Cholesteryl octadecatrienoate C45H74O2 646.56891 HMDB03975 PFEM_hmdb_metabocards_official NA NA +MJ088401 2-Methyl-19-triacontenoic acid, Tridecyl ester C44H86O2 646.662781 NA MeJP NA NA +PJ012028 CCCCCN C19H33N7O8S5 647.0994 NA PeJP NA NA +PJ012029 CCEMY C25H37N5O9S3 647.1754 NA PeJP NA NA +PJ012030 GCCNDH C22H33N9O10S2 647.1792 NA PeJP NA NA +PJ012031 DDMMH C24H37N7O10S2 647.2044 NA PeJP NA NA +PJ012032 PCCYY C29H37N5O8S2 647.2084 NA PeJP NA NA +PJ012033 TCMMY C26H41N5O8S3 647.2117 NA PeJP NA NA +PJ012034 GNNNDD C22H33N9O14 647.2147 NA PeJP NA NA +PJ012035 GGGGGGGDD C22H33N9O14 647.2148 NA PeJP NA NA +PJ012036 GSCNMH C23H37N9O9S2 647.2156 NA PeJP NA NA +PJ012037 DDDHF C27H33N7O12 647.2188 NA PeJP NA NA +PJ012038 GPNDDM C24H37N7O12S 647.2221 NA PeJP NA NA +PJ012039 CDHHH C25H33N11O8S 647.2235 NA PeJP NA NA +PJ012040 GDMYY C29H37N5O10S 647.2261 NA PeJP NA NA +PJ012041 SSSCQH C23H37N9O11S 647.2333 NA PeJP NA NA +PJ012042 GGSSTCH C23H37N9O11S 647.2334 NA PeJP NA NA +PJ012043 PCNEW C28H37N7O9S 647.2374 NA PeJP NA NA +PJ012044 NQEEE C24H37N7O14 647.2399 NA PeJP NA NA +PJ012045 TEMMH C25H41N7O9S2 647.2407 NA PeJP NA NA +PJ012046 GGSPPCM C25H41N7O9S2 647.2408 NA PeJP NA NA +MJ088402 Paulomycin B; 4'-De-O-(2-isothiocyano-2-butenoyl) C28H41NO16 647.242534 NA MeJP NA NA +PJ012047 SSEYY C29H37N5O12 647.2439 NA PeJP NA NA +PJ012048 GMMFY C30H41N5O7S2 647.2448 NA PeJP NA NA +PJ012049 CNQHF C27H37N9O8S 647.2486 NA PeJP NA NA +PJ012050 NDDER C23H37N9O13 647.2511 NA PeJP NA NA +PJ012051 GTCCKH C24H41N9O8S2 647.252 NA PeJP NA NA +PJ012052 GPCWW C32H37N7O6S 647.2526 NA PeJP NA NA +C01266 3'-Deoxydihydrostreptomycin 6-phosphate C21H42N7O14P 647.2527 NA KEGG NA NA +C04526 3'-Deoxydihydrostreptomycin 3''-phosphate C21H42N7O14P 647.2527 NA KEGG NA NA +PJ012053 GQEEW C28H37N7O11 647.2551 NA PeJP NA NA +PJ012054 GSPQEM C25H41N7O11S 647.2585 NA PeJP NA NA +PJ012055 GDFFY C33H37N5O9 647.2592 NA PeJP NA NA +PJ012056 VMMMH C26H45N7O6S3 647.2594 NA PeJP NA NA +PJ012057 SMHHH C26H37N11O7S 647.2598 NA PeJP NA NA +PJ012058 ATMYY C30H41N5O9S 647.2625 NA PeJP NA NA +PJ012059 LEEEE C26H41N5O14 647.265 NA PeJP NA NA +PJ012060 GDDRW C27H37N9O10 647.2664 NA PeJP NA NA +PJ012061 GSPCER C24H41N9O10S 647.2697 NA PeJP NA NA +PJ012062 GGGGAAQM C24H41N9O10S 647.2698 NA PeJP NA NA +PJ012063 QEWW C32H37N7O8 647.2704 NA PeJP NA NA +PJ012064 SPQMW C29H41N7O8S 647.2737 NA PeJP NA NA +PJ012065 GGPTMW C29H41N7O8S 647.2738 NA PeJP NA NA +PJ012066 SSSSSPP C25H41N7O13 647.2762 NA PeJP NA NA +PJ012067 NKEEE C25H41N7O13 647.2763 NA PeJP NA NA +PJ012068 AAPQMM C26H45N7O8S2 647.2771 NA PeJP NA NA +PJ012069 GSPNHH C26H37N11O9 647.2776 NA PeJP NA NA +PJ012070 GMFFF C34H41N5O6S 647.2778 NA PeJP NA NA +PJ012071 TTTYY C30H41N5O11 647.2803 NA PeJP NA NA +PJ012072 NNNMR C23H41N11O9S 647.281 NA PeJP NA NA +PJ012073 SPCRW C28H41N9O7S 647.285 NA PeJP NA NA +PJ012074 AWWW C36H37N7O5 647.2856 NA PeJP NA NA +PJ012075 SQEER C24H41N9O12 647.2875 NA PeJP NA NA +PJ012076 PNMMR C25H45N9O7S2 647.2884 NA PeJP NA NA +PJ012077 GKEEW C29H41N7O10 647.2915 NA PeJP NA NA +PJ012078 AHHHF C30H37N11O6 647.2929 NA PeJP NA NA +MJ088403 Aconifine; N-De-Et, N-Me C33H45NO12 647.294175 NA MeJP NA NA +PJ012079 GSPKEM C26H45N7O10S 647.2949 NA PeJP NA NA +PJ012080 GVFYY C34H41N5O8 647.2955 NA PeJP NA NA +PJ012081 SDDRR C23H41N11O11 647.2987 NA PeJP NA NA +PJ012082 GTERW C28H41N9O9 647.3027 NA PeJP NA NA +PJ012083 GGGGSKW C28H41N9O9 647.3028 NA PeJP NA NA +PJ012084 VNEMR C25H45N9O9S 647.3061 NA PeJP NA NA +PJ012085 KEWW C33H41N7O7 647.3068 NA PeJP NA NA +PJ012086 SPKMW C30H45N7O7S 647.3101 NA PeJP NA NA +PJ012087 GAALMW C30H45N7O7S 647.3102 NA PeJP NA NA +PJ012088 DKKEE C26H45N7O12 647.3126 NA PeJP NA NA +PJ012089 AATKEE C26H45N7O12 647.3127 NA PeJP NA NA +PJ012090 AAPKMM C27H49N7O7S2 647.3135 NA PeJP NA NA +PJ012091 VQQHH C27H41N11O8 647.314 NA PeJP NA NA +PJ012092 CNQKR C24H45N11O8S 647.3173 NA PeJP NA NA +PJ012093 GEMRR C24H45N11O8S 647.3174 NA PeJP NA NA +PJ012094 TRWW C32H41N9O6 647.318 NA PeJP NA NA +PJ012095 GVMRW C29H45N9O6S 647.3214 NA PeJP NA NA +PJ012096 SKEER C25H45N9O11 647.3239 NA PeJP NA NA +PJ012097 AQHHR C26H41N13O7 647.3252 NA PeJP NA NA +PJ012098 SVKEW C30H45N7O9 647.3279 NA PeJP NA NA +MJ088404 4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O8,O16,O18-Penta-Me, N-Et, 14-O-(4-methoxybenzoyl) C34H49NO11 647.330561 NA MeJP NA NA +MJ088405 4-Methylaconitane-1,3,6,8,13,14,16,18-octol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-O-(3,4-dimethoxybenzoyl) C34H49NO11 647.330561 NA MeJP NA NA +PJ012099 LQKEM C27H49N7O9S 647.3313 NA PeJP NA NA +PJ012100 MRRW C28H45N11O5S 647.3326 NA PeJP NA NA +PJ012101 STERR C24H45N11O10 647.3351 NA PeJP NA NA +PJ012102 SSLRW C29H45N9O8 647.3391 NA PeJP NA NA +MJ088406 Iprotiazem C37H49N3O5S 647.339292 NA MeJP NA NA +PJ012103 VDKMR C26H49N9O8S 647.3425 NA PeJP NA NA +PJ012104 APKFW C34H45N7O6 647.3432 NA PeJP NA NA +PJ012105 ALKMW C31H49N7O6S 647.3465 NA PeJP NA NA +PJ012106 GTTLKE C27H49N7O11 647.349 NA PeJP NA NA +PJ012107 GPRRY C28H45N11O7 647.3504 NA PeJP NA NA +PJ012108 SVMRR C25H49N11O7S 647.3537 NA PeJP NA NA +PJ012109 GGCKKR C25H49N11O7S 647.3538 NA PeJP NA NA +PJ012110 GTTTLR C26H49N9O10 647.3603 NA PeJP NA NA +PJ012111 AKHHR C27H45N13O6 647.3616 NA PeJP NA NA +PJ012112 TTLKW C31H49N7O8 647.3643 NA PeJP NA NA +PJ012113 LKKEM C28H53N7O8S 647.3677 NA PeJP NA NA +MJ088407 Lotusine E C36H49N5O6 647.368284 NA MeJP NA NA +MJ088408 Mucronine D; N-De-Me C36H49N5O6 647.368284 NA MeJP NA NA +MJ088409 Mucronine D; O-De-Me C36H49N5O6 647.368284 NA MeJP NA NA +MJ088410 Paliurine B C36H49N5O6 647.368284 NA MeJP NA NA +MJ088411 Paliurine C; 2''-N-De-Me C36H49N5O6 647.368284 NA MeJP NA NA +PJ012114 PTKFR C30H49N9O7 647.3755 NA PeJP NA NA +PJ012115 TLKMR C27H53N9O7S 647.3789 NA PeJP NA NA +C13902 1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3- C32H58NO10P 647.3798 NA KEGG NA NA +PJ012116 SSTLLK C28H53N7O10 647.3854 NA PeJP NA NA +PJ012117 GLFRR C29H49N11O6 647.3868 NA PeJP NA NA +PJ012118 ASSKKK C27H53N9O9 647.3966 NA PeJP NA NA +PJ012119 GSTKKK C27H53N9O9 647.3967 NA PeJP NA NA +PJ012120 PLKKY C32H53N7O7 647.4007 NA PeJP NA NA +PJ012121 VVKFR C31H53N9O6 647.4119 NA PeJP NA NA +PJ012122 LLKKF C33H57N7O6 647.4371 NA PeJP NA NA +HMDB08856 PE(14:1(9Z)/15:0) C34H66NO8P 647.452576 NA HMDB2010 NA NA +HMDB08888 PE(15:0/14:1(9Z)) C34H66NO8P 647.452576 NA HMDB2010 NA NA +HMDB08850 PE(14:0/P-16:0) C35H70NO7P 647.489014 NA HMDB2010 NA NA +HMDB11335 PE(P-16:0/14:0) C35H70NO7P 647.489014 NA HMDB2010 NA NA +HMDB04953 Ceramide (d18:1/24:1(15Z)) C42H81NO3 647.62164 http://www.hmdb.ca/metabolites/HMDB04953 HMDB NA NA +HMDB04953 Ceramide (d18:1/24:1(15Z)) C42H81NO3 647.62164 HMDB04953 PFEM_hmdb_metabocards_official NA NA +HMDB04953 Ceramide (d18:1/24:1(15Z)) C42H81NO3 647.621643 NA HMDB2010 NA NA +8136 peptide derived from rice (Oryza sativa L,) DHHQVYSPGEQ 647.76845 MH2+ Inhouse_peptide NA peptide +8124 secretory peptide hormone - angiotensin I DRVYIHPFHL 647.83145 MH2+ Inhouse_peptide NA peptide +MJ088412 Calmidazolium(1+) C31H23Cl6N2O(+) 647.986329 NA MeJP NA NA +PJ012123 CCCCCD C19H32N6O9S5 648.0835 NA PeJP NA NA +MJ088413 Quinic acid, 1,3,4-Tris(3,4,5-trihydroxybenzoyl) C28H24O18 648.096263 NA MeJP NA NA +MJ088414 Quinic acid, 3,4,5-Tris(3,4,5-trihydroxybenzoyl) C28H24O18 648.096263 NA MeJP NA NA +MJ088415 ?-Actinorhodin C32H24O15 648.11152 NA MeJP NA NA +MJ088416 ?-Isoactinorhodin C32H24O15 648.11152 NA MeJP NA NA +PJ012124 SCCCCM C20H36N6O8S5 648.1198 NA PeJP NA NA +PJ012125 ACCCCF C24H36N6O7S4 648.1529 NA PeJP NA NA +PJ012126 GCCDDH C22H32N8O11S2 648.1632 NA PeJP NA NA +MJ088417 Paeoniflorin; 4''-Hydroxy, 6'-(3,4,5-trihydroxybenzoyl) C30H32O16 648.169034 NA MeJP NA NA +MJ088418 Pyranocyanin B; 5'-Hydroxy, 6''-O-?-L-rhamnopyranosyl C30H33O16(+) 648.169035 NA MeJP NA NA +PJ012127 GTCCCY C24H36N6O9S3 648.1706 NA PeJP NA NA +PJ012128 SPCCCH C23H36N8O8S3 648.1819 NA PeJP NA NA +PJ012129 SSSCCY C24H36N6O11S2 648.1884 NA PeJP NA NA +MJ088419 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-L-Arabinopyranosyl-(1?3)-?-D-galactopyranosyl-(1?6)-?-D-glucopyranoside] C27H36O18 648.190164 NA MeJP NA NA +PJ012130 GNNDDD C22H32N8O15 648.1987 NA PeJP NA NA +PJ012131 GGGNDDD C22H32N8O15 648.1988 NA PeJP NA NA +PJ012132 GSCDMH C23H36N8O10S2 648.1996 NA PeJP NA NA +PJ012133 CCNFY C28H36N6O8S2 648.2036 NA PeJP NA NA +MJ088420 Hypoxylon oceanicum Macrolide antibiotic C31H36O15 648.20542 NA MeJP NA NA +MJ088421 Swertisin; 2''-O-(2-O-Acetyl-?-L-rhamnopyranosyl), 4'-Me ether C31H36O15 648.20542 NA MeJP NA NA +FL3FCBCS0007 Embigenin 2''-(2'''-acetylrhamnoside) C31H36O15 648.20542 94805-88-6 knapsack NA NA +PJ012134 GPDDDM C24H36N6O13S 648.2061 NA PeJP NA NA +MJ088422 Schizophyllan C24H40O20 648.211293 NA MeJP NA NA +PJ012135 TCCHW C27H36N8O7S2 648.2149 NA PeJP NA NA +PJ012136 SSSCEH C23H36N8O12S 648.2174 NA PeJP NA NA +PJ012137 CQMMH C24H40N8O7S3 648.2182 NA PeJP NA NA +MJ088423 Antibiotic TAN 1532B; 5,6-Didehydro, 13-O-(6-deoxyhexopyranosyl) C35H36O12 648.220676 NA MeJP NA NA +MJ088424 Feroxidin; 6-O-[4,6-Bis-(4-hydroxycinnamoyl)-?-D-glucopyranoside] C35H36O12 648.220676 NA MeJP NA NA +MJ088425 Rutaevin; O-(3,4-Dihydroxycinnamoyl)(E-) C35H36O12 648.220676 NA MeJP NA NA +PJ012138 PCDEW C28H36N6O10S 648.2214 NA PeJP NA NA +PJ012139 NEEEE C24H36N6O15 648.2239 NA PeJP NA NA +PJ012140 SPPCDM C25H40N6O10S2 648.2248 NA PeJP NA NA +PJ012141 GCNNNQ C22H36N10O11S 648.2286 NA PeJP NA NA +PJ012142 CCMHR C23H40N10O6S3 648.2295 NA PeJP NA NA +PJ012143 CNEHF C27H36N8O9S 648.2326 NA PeJP NA NA +PJ012144 DDDER C23H36N8O14 648.2351 NA PeJP NA NA +MJ088426 Chalcomoracin C39H36O9 648.235932 NA MeJP NA NA +MJ088427 Mulberrofuran U C39H36O9 648.235932 NA MeJP NA NA +PJ012145 GSSMMH C24H40N8O9S2 648.236 NA PeJP NA NA +PJ012146 ADEEW C28H36N6O12 648.2391 NA PeJP NA NA +PJ012147 GEEEW C28H36N6O12 648.2392 NA PeJP NA NA +MJ088428 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6,8,14-penta-Ac C32H40O14 648.241805 NA MeJP NA NA +MJ088429 Isocycloatalantin; 17-O-?-D-Glucopyranoside C32H40O14 648.241805 NA MeJP NA NA +PJ012148 GSPEEM C25H40N6O12S 648.2425 NA PeJP NA NA +PJ012149 APPCMM C26H44N6O7S3 648.2434 NA PeJP NA NA +PJ012150 SSNNNN C22H36N10O13 648.2463 NA PeJP NA NA +PJ012151 GGSSNNN C22H36N10O13 648.2464 NA PeJP NA NA +MJ088430 Bipowine C38H36N2O8 648.247166 NA MeJP NA NA +MJ088431 Thalfine C38H36N2O8 648.247166 NA MeJP NA NA +PJ012152 GPCCNR C23H40N10O8S2 648.2472 NA PeJP NA NA +PJ012153 GCHFW C31H36N8O6S 648.2479 NA PeJP NA NA +PJ012154 SNNEW C27H36N8O11 648.2504 NA PeJP NA NA +PJ012155 SSSTMH C24H40N8O11S 648.2537 NA PeJP NA NA +PJ012156 GGQQEM C24H40N8O11S 648.2538 NA PeJP NA NA +PJ012157 EEWW C32H36N6O9 648.2544 NA PeJP NA NA +PJ012158 CKMMH C25H44N8O6S3 648.2546 NA PeJP NA NA +MJ088432 Voamatin A C36H40O11 648.257062 NA MeJP NA NA +PJ012159 SPEMW C29H40N6O9S 648.2578 NA PeJP NA NA +PJ012160 DKEEE C25H40N6O14 648.2603 NA PeJP NA NA +PJ012161 SSPPMM C26H44N6O9S2 648.2611 NA PeJP NA NA +PJ012162 AAPEMM C26H44N6O9S2 648.2612 NA PeJP NA NA +PJ012163 GSPDHH C26H36N10O10 648.2616 NA PeJP NA NA +PJ012164 NNDMR C23H40N10O10S 648.265 NA PeJP NA NA +PJ012165 GSNWW C31H36N8O8 648.2656 NA PeJP NA NA +PJ012166 GQQMW C28H40N8O8S 648.269 NA PeJP NA NA +PJ012167 SEEER C24H40N8O13 648.2715 NA PeJP NA NA +PJ012168 PDMMR C25H44N8O8S2 648.2724 NA PeJP NA NA +PJ012169 NNQHH C25H36N12O9 648.2728 NA PeJP NA NA +PJ012170 GGNQHH C25H36N12O9 648.2729 NA PeJP NA NA +PJ012171 PPCFW C33H40N6O6S 648.273 NA PeJP NA NA +PJ012172 SVEEW C29H40N6O11 648.2755 NA PeJP NA NA +PJ012173 PCLMW C30H44N6O6S2 648.2764 NA PeJP NA NA +MJ088433 Meliacarpinin; 11-Methoxy, 3-tigloyl C33H44O13 648.278191 NA MeJP NA NA +PJ012174 LQEEM C26H44N6O11S 648.2789 NA PeJP NA NA +PJ012175 GCQRW C27H40N10O7S 648.2802 NA PeJP NA NA +PJ012176 GGACRW C27H40N10O7S 648.2803 NA PeJP NA NA +MJ088434 Maytansinol; 3-O-(3-Methylbutanoyl) C33H45ClN2O9 648.281358 NA MeJP NA NA +PJ012177 GSSNER C23H40N10O12 648.2827 NA PeJP NA NA +PJ012178 GGGSSER C23H40N10O12 648.2828 NA PeJP NA NA +PJ012179 STQQW C28H40N8O10 648.2867 NA PeJP NA NA +PJ012180 SNDKW C28H40N8O10 648.2868 NA PeJP NA NA +PJ012181 VDEMR C25H44N8O10S 648.2901 NA PeJP NA NA +PJ012182 GGGAKEM C25H44N8O10S 648.2902 NA PeJP NA NA +PJ012183 SPPYW C33H40N6O8 648.2908 NA PeJP NA NA +PJ012184 PCHHR C26H40N12O6S 648.2915 NA PeJP NA NA +C09096 Gnididin C37H44O10 648.2934 NA KEGG NA NA +MJ088435 12-Hydroxydaphnetoxin; 12?-form, 12-(2E,4E-Decadienoyl) C37H44O10 648.293447 NA MeJP NA NA +MJ088436 Gnidilatidin C37H44O10 648.293447 NA MeJP NA NA +MJ088437 Nimbolinin B; O7-Detigloyl, O7-benzoyl C37H44O10 648.293447 NA MeJP NA NA +PJ012185 ALEMW C30H44N6O8S 648.2942 NA PeJP NA NA +PJ012186 GTTLEE C26H44N6O13 648.2967 NA PeJP NA NA +PJ012187 GPTLMM C27H48N6O8S2 648.2975 NA PeJP NA NA +PJ012188 SSNRW C27H40N10O9 648.298 NA PeJP NA NA +PJ012189 SQQMR C24H44N10O9S 648.3014 NA PeJP NA NA +PJ012190 AQHFF C32H40N8O7 648.302 NA PeJP NA NA +PJ012191 GQKMW C29H44N8O7S 648.3054 NA PeJP NA NA +PJ012192 GSTQKE C25H44N8O12 648.3079 NA PeJP NA NA +MJ088438 Euphohelionone C41H44O7 648.308703 NA MeJP NA NA +PJ012193 APCCKK C26H48N8O7S2 648.3088 NA PeJP NA NA +PJ012194 AEHHR C26H40N12O8 648.3092 NA PeJP NA NA +PJ012195 GGGGKHH C26H40N12O8 648.3093 NA PeJP NA NA +MJ088439 Immunopoietin E C30H44N6O10 648.311891 NA MeJP NA NA +PJ012196 TTLEW C30H44N6O10 648.3119 NA PeJP NA NA +PJ012197 SCQRR C23H44N12O8S 648.3126 NA PeJP NA NA +PJ012198 GLHHW C31H40N10O6 648.3133 NA PeJP NA NA +MJ088440 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 8,14-bis-(2-methylbutanoyl), 1-Ac C34H48O12 648.314577 NA MeJP NA NA +MJ088441 14,20-Epoxy-3,15,17-trihydroxy-1-oxowitha-5,24-dienolide, 3-O-?-D-Glucopyranoside C34H48O12 648.314577 NA MeJP NA NA +MJ088442 3,3'-Diheptyl-5,5'-dihydroxydiphenyl ether-2,2'-dicarboxylic acid; O-?-D-Galactopyranoside C34H48O12 648.314577 NA MeJP NA NA +MJ088443 3,3'-Diheptyl-5,5'-dihydroxydiphenyl ether-2,2'-dicarboxylic acid; O-?-D-Glucopyranoside C34H48O12 648.314577 NA MeJP NA NA +MJ088444 3-Hydroxycarda-14,16,20(22)-trienolide, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside] C34H48O12 648.314577 NA MeJP NA NA +MJ088445 Prasinic acid; O-De-Me, 2-O-?-D-galactofuranoside C34H48O12 648.314577 NA MeJP NA NA +MJ088446 Prasinic acid; O-De-Me, 2-O-?-D-galactopyranoside C34H48O12 648.314577 NA MeJP NA NA +MJ088447 Prasinic acid; O-De-Me, 2-O-?-D-glucopyranoside C34H48O12 648.314577 NA MeJP NA NA +PJ012199 LKEEM C27H48N6O10S 648.3153 NA PeJP NA NA +PJ012200 GCKRW C28H44N10O6S 648.3166 NA PeJP NA NA +PJ012201 GSSDKR C24H44N10O11 648.3191 NA PeJP NA NA +PJ012202 STQKW C29H44N8O9 648.3231 NA PeJP NA NA +PJ012203 GGTTKW C29H44N8O9 648.3232 NA PeJP NA NA +PJ012204 TLEMR C26H48N8O9S 648.3265 NA PeJP NA NA +PJ012205 APLYW C34H44N6O7 648.3272 NA PeJP NA NA +PJ012206 GSSSRR C23H44N12O10 648.3304 NA PeJP NA NA +PJ012207 SLLMW C31H48N6O7S 648.3305 NA PeJP NA NA +PJ012208 AAPLMF C31H48N6O7S 648.3306 NA PeJP NA NA +PJ012209 SSTLLE C27H48N6O12 648.333 NA PeJP NA NA +PJ012210 AALLMM C28H52N6O7S2 648.3339 NA PeJP NA NA +PJ012211 AQQFR C28H44N10O8 648.3344 NA PeJP NA NA +PJ012212 SQKMR C25H48N10O8S 648.3377 NA PeJP NA NA +PJ012213 GGTKMR C25H48N10O8S 648.3378 NA PeJP NA NA +PJ012214 PPLHW C33H44N8O6 648.3384 NA PeJP NA NA +MJ088448 Cytotrienin A C37H48N2O8 648.341066 NA MeJP NA NA +MJ088449 Mycotrienol II; Quinone, 11-O-[1-[(cyclohexylcarbonyl)amino]cyclopropanecarbonyl] C37H48N2O8 648.341066 NA MeJP NA NA +PJ012215 GKKMW C30H48N8O6S 648.3418 NA PeJP NA NA +PJ012216 GSTKKE C26H48N8O11 648.3443 NA PeJP NA NA +PJ012217 VLMMR C27H52N8O6S2 648.3451 NA PeJP NA NA +PJ012218 GNFRR C27H44N12O7 648.3456 NA PeJP NA NA +7731 proctolin RYLPT 648.347 antioxidative Inhouse_peptide NA peptide +PJ012219 PLKEY C31H48N6O9 648.3483 NA PeJP NA NA +PJ012220 SCKRR C24H48N12O7S 648.349 NA PeJP NA NA +MJ088450 21,23:22,28:26,28-Triepoxystigmasta-8,14-diene-3,21,24-triol, 3-O-?-D-Glucopyranoside C35H52O11 648.350962 NA MeJP NA NA +MJ088451 3,16,24,28-Tetrahydroxystigmasta-7,9(11)-dien-21,23-olide, 3-O-?-D-Glucopyranoside C35H52O11 648.350962 NA MeJP NA NA +MJ088452 5,6-Epoxy-4(15)-eudesmene-3,7,11-triol, 11-O-[2,4-Diangeloyl-3-(2-methylpropanoyl)-?-D-fucopyranoside] C35H52O11 648.350962 NA MeJP NA NA +MJ088453 Cayaponoside A4 C35H52O11 648.350962 NA MeJP NA NA +MJ088454 Cayaponoside D3b; 25-Deoxy, 24,25-didehydro C35H52O11 648.350962 NA MeJP NA NA +MJ088455 Cayaponoside D3b; 25-Deoxy, 25,26-didehydro C35H52O11 648.350962 NA MeJP NA NA +MJ088456 Fevicordin F; 22-Deoxy, 2-O-?-D-glucopyranoside C35H52O11 648.350962 NA MeJP NA NA +MJ088457 Fevicordin F; 25-Deoxy, 23,24-dihydro, 25,26-didehydro, 2-O-?-D-glucopyranoside C35H52O11 648.350962 NA MeJP NA NA +MJ088458 Fevicordin F; 25-Deoxy, ?24-isomer, 2-O-?-D-glucopyranoside C35H52O11 648.350962 NA MeJP NA NA +MJ088459 VE1; 16-Deacetoxy, 21-ketone, 28-hydroxy C35H52O11 648.350962 NA MeJP NA NA +PJ012221 ATTLLM C28H52N6O9S 648.3517 NA PeJP NA NA +MJ088460 Cholestane-3,6,15,24-tetrol, 24-O-?-D-Xylopyranoside, 15-sulfate C32H56O11S 648.354333 NA MeJP NA NA +PJ012222 GSTTKR C25H48N10O10 648.3555 NA PeJP NA NA +PJ012223 STKKW C30H48N8O8 648.3595 NA PeJP NA NA +MJ088461 Proctolin C30H48N8O8 648.35951 NA MeJP NA NA +PJ012224 DKKKM C27H52N8O8S 648.3629 NA PeJP NA NA +PJ012225 ALLFW C35H48N6O6 648.3636 NA PeJP NA NA +PJ012226 TTTTLL C28H52N6O11 648.3694 NA PeJP NA NA +PJ012227 AQKFR C29H48N10O7 648.3708 NA PeJP NA NA +MJ088462 1,6,10-Phytatriene-3,14,15-triol, 3,14-Di-O-?-D-glucopyranoside C32H56O13 648.372091 NA MeJP NA NA +MJ088463 8(17)-Labdene-6,15,19-triol, 15,19-Di-O-?-D-Glucopyranoside C32H56O13 648.372091 NA MeJP NA NA +MJ088464 Nb,Nb'-Methylenebismeloninium(2+); Dichloride C39H54Cl2N4 648.372553 NA MeJP NA NA +PJ012228 SKKMR C26H52N10O7S 648.3741 NA PeJP NA NA +PJ012229 SSSLKK C27H52N8O10 648.3807 NA PeJP NA NA +PJ012230 LLLQY C32H52N6O8 648.3847 NA PeJP NA NA +MJ088465 16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 3-O-?-D-Galactopyranoside C36H56O10 648.387348 NA MeJP NA NA +MJ088466 2,3,19-Trihydroxy-12-ursen-28-oic acid, 2-Ketone, ?-D-glucopyranosyl ester C36H56O10 648.387348 NA MeJP NA NA +MJ088467 2,3,23-Trihydroxy-11,13(18)-oleanadien-28-oic acid, 3-O-?-D-Glucopyranoside C36H56O10 648.387348 NA MeJP NA NA +MJ088468 2,3,23-Trihydroxy-12,18-ursadien-28-oic acid, ?-D-Glucopyranosyl ester C36H56O10 648.387348 NA MeJP NA NA +MJ088469 2,3,23-Trihydroxy-12,19-ursadien-28-oic acid, ?-D-Glucopyranosyl ester C36H56O10 648.387348 NA MeJP NA NA +MJ088470 2,3-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside C36H56O10 648.387348 NA MeJP NA NA +MJ088471 20,24-Epoxy-6,25-dihydroxycycloartane-3,16-dione, 6-O-?-D-Glucopyranoside C36H56O10 648.387348 NA MeJP NA NA +MJ088472 3,22-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside C36H56O10 648.387348 NA MeJP NA NA +MJ088473 3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Xylopyranoside, 30-Me ester C36H56O10 648.387348 NA MeJP NA NA +MJ088474 3-Hydroxy-12-oleanene-23,28-dioic acid, 28-O-?-D-Glucopyranosyl ester C36H56O10 648.387348 NA MeJP NA NA +MJ088475 3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside C36H56O10 648.387348 NA MeJP NA NA +MJ088476 3-Hydroxy-12-ursene-27,28-dioic acid, 27-O-?-D-Glucopyranosyl ester C36H56O10 648.387348 NA MeJP NA NA +MJ088477 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-?-D-Glucopyranoside C36H56O10 648.387348 NA MeJP NA NA +MJ088478 Cumindyoside B C36H56O10 648.387348 NA MeJP NA NA +MJ088479 Periplocagenin; 20-O-(2,6-Dideoxy-3-O-methoxymethyl-arabino-hexapyranoside) C36H56O10 648.387348 NA MeJP NA NA +PJ012231 VVLRY C31H52N8O7 648.3959 NA PeJP NA NA +MJ088480 2,3-Dihydroxy-12-oleanen-28-oic acid, 3-(4-Hydroxy-3-methoxycinnamoyl)-(E-) C40H56O7 648.402604 NA MeJP NA NA +MJ088481 2,3-Dihydroxy-12-ursen-28-oic acid, 2-(4-Hydroxy-3-methoxycinnamoyl) (E-) C40H56O7 648.402604 NA MeJP NA NA +MJ088482 2,3-Dihydroxy-12-ursen-28-oic acid, 3-(4-Hydroxy-3-methoxycinnamoyl) (E-) C40H56O7 648.402604 NA MeJP NA NA +MJ088483 2,3-Dihydroxy-12-ursen-28-oic acid, 3-(4-Hydroxy-3-methoxycinnamoyl) (Z-) C40H56O7 648.402604 NA MeJP NA NA +MJ088484 20(29)-Lupene-2,3,28-triol, 28-Carboxylic acid, 3-(4-hydroxy-3-methoxy-E-cinnamoyl) C40H56O7 648.402604 NA MeJP NA NA +MJ088485 3,24-Dihydroxy-12-ursen-28-oic acid, 24-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) C40H56O7 648.402604 NA MeJP NA NA +MJ088486 3,24-Dihydroxy-12-ursen-28-oic acid, 24-O-(4-Hydroxy-3-methoxy-Z-cinnamoyl) C40H56O7 648.402604 NA MeJP NA NA +MJ088487 3,27-Dihydroxy-12-oleanen-28-oic acid, 27-(4-Hydroxy-3-methoxycinnamoyl)(E-) C40H56O7 648.402604 NA MeJP NA NA +MJ088488 3,27-Dihydroxy-12-oleanen-28-oic acid, 27-(4-Hydroxy-3-methoxycinnamoyl)(Z-) C40H56O7 648.402604 NA MeJP NA NA +MJ088489 3,27-Dihydroxy-12-ursen-28-oic acid, 27-(4-Hydroxy-3-methoxycinnamoyl)(E-) C40H56O7 648.402604 NA MeJP NA NA +MJ088490 3,27-Dihydroxy-12-ursen-28-oic acid, 27-(4-Hydroxy-3-methoxycinnamoyl)(Z-) C40H56O7 648.402604 NA MeJP NA NA +MJ088491 Taiwaniadduct G C40H56O7 648.402604 NA MeJP NA NA +MJ088492 16'-Decarbomethoxy-19,20-dihydroconoduramine C41H52N4O3 648.403941 NA MeJP NA NA +MJ088493 16'-Decarbomethoxy-19,20-dihydrovoacamine C41H52N4O3 648.403941 NA MeJP NA NA +PJ012232 AKKFR C30H52N10O6 648.4072 NA PeJP NA NA +MJ088494 Mirabimides; Mirabimide D C34H56N4O8 648.409814 NA MeJP NA NA +MJ088495 Cycloarta-7,24-diene-3,21-diol; 3?-form, Dibenzoyl C44H56O4 648.41786 NA MeJP NA NA +MJ088496 Fla-P4 C44H56O4 648.41786 NA MeJP NA NA +PJ012233 LLLKY C33H56N6O7 648.4211 NA PeJP NA NA +MJ088497 12-Oleanene-3,15,16,21,22,28-hexol, 21 or 22-(2-Acetoxy-2-methylbutanoyl) C37H60O9 648.423733 NA MeJP NA NA +MJ088498 3,15-Dihydroxy-24-methylenelanost-8-en-21-oic acid, 21-O-?-D-Glucopyranosyl ester C37H60O9 648.423733 NA MeJP NA NA +MJ088499 3,7,25-Trihydroxycucurbita-5,23-dien-19-al, 7-O-?-D-Glucopyranoside, 25-O-Me C37H60O9 648.423733 NA MeJP NA NA +MJ088500 3,7-Dihydroxy-24-methylenelanost-8-en-21-oic acid, 7-O-?-D-Glucopyranoside C37H60O9 648.423733 NA MeJP NA NA +PJ012234 VKKKF C32H56N8O6 648.4323 NA PeJP NA NA +HMDB00674 Dipalmitoylphosphatidic acid C35H69O8P 648.47302 http://www.hmdb.ca/metabolites/HMDB00674 HMDB NA NA +HMDB00674 Dipalmitoylphosphatidic acid C35H69O8P 648.47302 HMDB00674 PFEM_hmdb_metabocards_official NA NA +HMDB00674 PA(16:0/16:0) C35H69O8P 648.473022 NA HMDB2010 NA NA +MJ088501 2,27-Diamino-1,3,26-trihydroxy-11-octacosanone; 3-O-?-D-Glucopyranoside C34H68N2O9 648.492481 NA MeJP NA NA +C08572 Uvaricin C39H68O7 648.4965 NA KEGG NA NA +MJ088502 Squamocin L; 24-Ac C39H68O7 648.496504 NA MeJP NA NA +MJ088503 7,13-Labdadien-15-ol, Malonoyl diester C43H68O4 648.51176 NA MeJP NA NA +MJ088504 Trixagol; Malonyl, trixagoyl ester C43H68O4 648.51176 NA MeJP NA NA +MJ088505 1,3,27,29-Triacontanetetrol, 1-O-?-D-Galactopyranoside C36H72O9 648.517633 NA MeJP NA NA +MJ088506 1,3,27,29-Triacontanetetrol, 1-O-?-D-Glucopyranoside C36H72O9 648.517633 NA MeJP NA NA +MJ088507 1-Heptacosene-4,6,8,10,12,14,16,18,24-nonol, Nona-Me ether C36H72O9 648.517633 NA MeJP NA NA +MJ088508 Cepaciamide B C39H72N2O5 648.544123 NA MeJP NA NA +HMDB05229 DG(18:1(9Z)/20:1(11Z)/0:0)[iso2] C41H76O5 648.56927 http://www.hmdb.ca/metabolites/HMDB05229 HMDB NA NA +HMDB05234 DG(18:2(9Z,12Z)/20:0/0:0)[iso2] C41H76O5 648.56927 http://www.hmdb.ca/metabolites/HMDB05234 HMDB NA NA +HMDB05229 DG(18:1(9Z)/20:1(11Z)/0:0)[iso2] C41H76O5 648.56927 HMDB05229 PFEM_hmdb_metabocards_official NA NA +HMDB05234 DG(18:2(9Z,12Z)/20:0/0:0)[iso2] C41H76O5 648.56927 HMDB05234 PFEM_hmdb_metabocards_official NA NA +HMDB07065 DG(14:1(9Z)/24:1(15Z)/0:0) C41H76O5 648.569275 NA HMDB2010 NA NA +HMDB07117 DG(16:0/22:2(13Z,16Z)/0:0) C41H76O5 648.569275 NA HMDB2010 NA NA +HMDB07145 DG(16:1(9Z)/22:1(13Z)/0:0) C41H76O5 648.569275 NA HMDB2010 NA NA +HMDB07167 DG(18:0/20:2(11Z,14Z)/0:0) C41H76O5 648.569275 NA HMDB2010 NA NA +HMDB07195 DG(18:1(11Z)/20:1(11Z)/0:0) C41H76O5 648.569275 NA HMDB2010 NA NA +HMDB07224 DG(18:1(9Z)/20:1(11Z)/0:0) C41H76O5 648.569275 NA HMDB2010 NA NA +HMDB07252 DG(18:2(9Z,12Z)/20:0/0:0) C41H76O5 648.569275 NA HMDB2010 NA NA +HMDB07364 DG(20:0/18:2(9Z,12Z)/0:0) C41H76O5 648.569275 NA HMDB2010 NA NA +HMDB07391 DG(20:1(11Z)/18:1(11Z)/0:0) C41H76O5 648.569275 NA HMDB2010 NA NA +HMDB07392 DG(20:1(11Z)/18:1(9Z)/0:0) C41H76O5 648.569275 NA HMDB2010 NA NA +HMDB07419 DG(20:2(11Z,14Z)/18:0/0:0) C41H76O5 648.569275 NA HMDB2010 NA NA +HMDB07621 DG(22:1(13Z)/16:1(9Z)/0:0) C41H76O5 648.569275 NA HMDB2010 NA NA +HMDB07649 DG(22:2(13Z,16Z)/16:0/0:0) C41H76O5 648.569275 NA HMDB2010 NA NA +HMDB07821 DG(24:1(15Z)/14:1(9Z)/0:0) C41H76O5 648.569275 NA HMDB2010 NA NA +MJ088509 1-O-(14,16-Dimethyloctadecanoyl)-3-O-(9,12-octadecadienoyl)glycerol C41H76O5 648.569275 NA MeJP NA NA +C15441 Cholesteryl linoleate C45H76O2 648.5845 NA KEGG NA NA +HMDB00610 Cholesteryl linoleic acid C45H76O2 648.58453 http://www.hmdb.ca/metabolites/HMDB00610 HMDB NA NA +HMDB00610 Cholesteryl linoleic acid C45H76O2 648.58453 HMDB00610 PFEM_hmdb_metabocards_official NA NA +HMDB00610 CE(18:2(9Z,12Z)) C45H76O2 648.584534 NA HMDB2010 NA NA +MJ088510 1-Octacosanol; Hexadecanoyl C44H88O2 648.678432 NA MeJP NA NA +MJ088511 Docosanoic acid; Docosyl ester C44H88O2 648.678432 NA MeJP NA NA +MJ088512 Triacontanoic acid; Tetradecyl ester C44H88O2 648.678432 NA MeJP NA NA +MJ088513 19-Pentatetracontanol C45H92O 648.714817 NA MeJP NA NA +PJ012235 CCMMY C25H39N5O7S4 649.1732 NA PeJP NA NA +PJ012236 GCCCQH C22H35N9O8S3 649.1771 NA PeJP NA NA +PJ012237 GNDDDD C22H31N7O16 649.1828 NA PeJP NA NA +PJ012238 CCDFY C28H35N5O9S2 649.1876 NA PeJP NA NA +PJ012239 SSCCNH C22H35N9O10S2 649.1949 NA PeJP NA NA +PJ012240 SPCNDD C23H35N7O13S 649.2014 NA PeJP NA NA +PJ012241 CEMMH C24H39N7O8S3 649.2022 NA PeJP NA NA +PJ012242 PPCCCQ C24H39N7O8S3 649.2023 NA PeJP NA NA +PJ012243 SCDYY C28H35N5O11S 649.2054 NA PeJP NA NA +PJ012244 CCMFF C29H39N5O6S3 649.2063 NA PeJP NA NA +PJ012245 DEEEE C24H35N5O16 649.2079 NA PeJP NA NA +PJ012246 GCNNNE C22H35N9O12S 649.2126 NA PeJP NA NA +PJ012247 GCCCKH C23H39N9O7S3 649.2135 NA PeJP NA NA +PJ012248 CDEHF C27H35N7O10S 649.2166 NA PeJP NA NA +PJ012249 GSNDEE C23H35N7O15 649.2191 NA PeJP NA NA +PJ012250 GPCNEM C24H39N7O10S2 649.22 NA PeJP NA NA +PJ012251 ACMYY C29H39N5O8S2 649.224 NA PeJP NA NA +PJ012252 CNNNW C26H35N9O9S 649.2279 NA PeJP NA NA +PJ012253 SSNNND C22H35N9O14 649.2304 NA PeJP NA NA +PJ012254 GPCCDR C23H39N9O9S2 649.2313 NA PeJP NA NA +PJ012255 SNDEW C27H35N7O12 649.2344 NA PeJP NA NA +PJ012256 PCNMW C28H39N7O7S2 649.2353 NA PeJP NA NA +PJ012257 NQEEM C24H39N7O12S 649.2378 NA PeJP NA NA +PJ012258 TMMMH C25H43N7O7S3 649.2386 NA PeJP NA NA +PJ012259 SSMYY C29H39N5O10S 649.2418 NA PeJP NA NA +PJ012260 NDDMR C23H39N9O11S 649.249 NA PeJP NA NA +PJ012261 GSDWW C31H35N7O9 649.2497 NA PeJP NA NA +PJ012262 GQEMW C28H39N7O9S 649.253 NA PeJP NA NA +PJ012263 GSTQEE C24H39N7O14 649.2555 NA PeJP NA NA +PJ012264 GSPQMM C25H43N7O9S2 649.2564 NA PeJP NA NA +PJ012265 NNEHH C25H35N11O10 649.2569 NA PeJP NA NA +PJ012266 ACFFY C33H39N5O7S 649.257 NA PeJP NA NA +PJ012267 PEEEF C29H39N5O12 649.2596 NA PeJP NA NA +PJ012268 GSCNNR C22H39N11O10S 649.2602 NA PeJP NA NA +PJ012269 GGGGGSCR C22H39N11O10S 649.2603 NA PeJP NA NA +PJ012270 LEEEM C26H43N5O12S 649.2629 NA PeJP NA NA +PJ012271 GCERW C27H39N9O8S 649.2643 NA PeJP NA NA +PJ012272 SSSNQQ C23H39N9O13 649.2667 NA PeJP NA NA +PJ012273 GSSDER C23H39N9O13 649.2668 NA PeJP NA NA +PJ012274 GSPCMR C24H43N9O8S2 649.2676 NA PeJP NA NA +3117 adrenocorticotropin hormone fr,: 1-10 SYSMEHFRWG 649.2682 MH2+ Inhouse_peptide NA peptide +PJ012275 QMWW C32H39N7O6S 649.2683 NA PeJP NA NA +PJ012276 STQEW C28H39N7O11 649.2708 NA PeJP NA NA +PJ012277 CLMHF C29H43N7O6S2 649.2716 NA PeJP NA NA +PJ012278 GNHHW C29H35N11O7 649.2721 NA PeJP NA NA +PJ012279 SSPTQM C25H43N7O11S 649.2741 NA PeJP NA NA +PJ012280 NKEEM C25H43N7O11S 649.2742 NA PeJP NA NA +PJ012281 AAYYY C33H39N5O9 649.2748 NA PeJP NA NA +PJ012282 CRWW C31H39N9O5S 649.2795 NA PeJP NA NA +PJ012283 SSDRW C27H39N9O10 649.282 NA PeJP NA NA +PJ012284 SQEMR C24H43N9O10S 649.2854 NA PeJP NA NA +PJ012285 GTTWW C32H39N7O8 649.286 NA PeJP NA NA +PJ012286 GKEMW C29H43N7O8S 649.2894 NA PeJP NA NA +PJ012287 GSTKEE C25H43N7O13 649.2919 NA PeJP NA NA +PJ012288 GSPKMM C26H47N7O8S2 649.2928 NA PeJP NA NA +PJ012289 NDKHH C26H39N11O9 649.2932 NA PeJP NA NA +PJ012290 GGDKHH C26H39N11O9 649.2933 NA PeJP NA NA +PJ012291 PLEEY C30H43N5O11 649.2959 NA PeJP NA NA +PJ012292 SCERR C23H43N11O9S 649.2966 NA PeJP NA NA +PJ012293 PPNHW C31H39N9O7 649.2973 NA PeJP NA NA +PJ012294 GTMRW C28H43N9O7S 649.3006 NA PeJP NA NA +PJ012295 GAPCFR C28H43N9O7S 649.3007 NA PeJP NA NA +PJ012296 GSTTER C24H43N9O12 649.3031 NA PeJP NA NA +PJ012297 GGGGSSTK C24H43N9O12 649.3032 NA PeJP NA NA +PJ012298 VNMMR C25H47N9O7S2 649.304 NA PeJP NA NA +PJ012299 SNHHR C25H39N13O8 649.3045 NA PeJP NA NA +PJ012300 KMWW C33H43N7O5S 649.3047 NA PeJP NA NA +PJ012301 STKEW C29H43N7O10 649.3072 NA PeJP NA NA +PJ012302 DKKEM C26H47N7O10S 649.3105 NA PeJP NA NA +PJ012303 CCLRR C24H47N11O6S2 649.3152 NA PeJP NA NA +PJ012304 GMMRR C24H47N11O6S2 649.3153 NA PeJP NA NA +PJ012305 STTRW C28H43N9O9 649.3184 NA PeJP NA NA +PJ012306 SKEMR C25H47N9O9S 649.3218 NA PeJP NA NA +PJ012307 GPKYW C33H43N7O7 649.3224 NA PeJP NA NA +PJ012308 SVKMW C30H47N7O7S 649.3258 NA PeJP NA NA +PJ012309 SSSLKE C26H47N7O12 649.3283 NA PeJP NA NA +PJ012310 LQKMM C27H51N7O7S2 649.3292 NA PeJP NA NA +PJ012311 GDFRR C27H43N11O8 649.3296 NA PeJP NA NA +PJ012312 LLEEF C31H47N5O10 649.3323 NA PeJP NA NA +PJ012313 STMRR C24H47N11O8S 649.333 NA PeJP NA NA +PJ012314 AAFRW C32H43N9O6 649.3337 NA PeJP NA NA +PJ012315 PCKFR C29H47N9O6S 649.337 NA PeJP NA NA +PJ012316 SSSTLR C25H47N9O11 649.3395 NA PeJP NA NA +PJ012317 CLKMR C26H51N9O6S2 649.3404 NA PeJP NA NA +PJ012318 PDKKY C30H47N7O9 649.3435 NA PeJP NA NA +PJ012319 GGLLQY C30H47N7O9 649.3436 NA PeJP NA NA +PJ012320 GTTLKM C27H51N7O9S 649.3469 NA PeJP NA NA +PJ012321 SPKRY C29H47N9O8 649.3548 NA PeJP NA NA +PJ012322 GSCKKK C26H51N9O8S 649.3582 NA PeJP NA NA +PJ012323 GLKFW C34H47N7O6 649.3588 NA PeJP NA NA +PJ012324 PKKMF C31H51N7O6S 649.3622 NA PeJP NA NA +PJ012325 STTTLK C27H51N7O11 649.3647 NA PeJP NA NA +PJ012326 LKKMM C28H55N7O6S2 649.3655 NA PeJP NA NA +PJ012327 GVRRY C28H47N11O7 649.366 NA PeJP NA NA +2662 synthetic fr, of human beta-CN (138-143) ACE inhibitor VPQPIP 649.366 NA Inhouse_peptide NA peptide +2817 PEP inhibitor HLPPPVHLPPPV 649.36605 MH2+ Inhouse_peptide NA peptide +PJ012328 LLLEY C32H51N5O9 649.3687 NA PeJP NA NA +PJ012329 RRRY C27H47N13O6 649.3773 NA PeJP NA NA +PJ012330 VLQKY C31H51N7O8 649.3799 NA PeJP NA NA +PJ012331 GGPPPLL C31H51N7O8 649.38 NA PeJP NA NA +PJ012332 ALKRY C30H51N9O7 649.3912 NA PeJP NA NA +C13901 1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3- C32H60NO10P 649.3955 NA KEGG NA NA +PJ012333 PLKHR C29H51N11O6 649.4024 NA PeJP NA NA +PJ012334 VLKKY C32H55N7O7 649.4163 NA PeJP NA NA +MetaCyc04007 dimyristoylphosphatidylcholine [] C34H68N1O8P1 649.468255 13699-48-4 metacyc NA NA +HMDB08823 PE(14:0/15:0) C34H68NO8P 649.468262 NA HMDB2010 NA NA +HMDB08887 PE(15:0/14:0) C34H68NO8P 649.468262 NA HMDB2010 NA NA +MJ088514 Pamamycin; Pamamycin 649A C38H67NO7 649.491753 NA MeJP NA NA +MJ088515 Pamamycin; Pamamycin 649B C38H67NO7 649.491753 NA MeJP NA NA +HMDB00831 N-Lignoceroylsphingosine C42H83NO3 649.637268 NA HMDB2010 NA NA +HMDB04956 Ceramide (d18:1/24:0) C42H83NO3 649.637268 NA HMDB2010 NA NA +HMDB11769 Cer(d18:0/24:1(15Z)) C42H83NO3 649.637268 NA HMDB2010 NA NA +MJ088516 2-Amino-16-methyl-4-octadecene-1,3-diol, N-(21-Methyldocosanoyl) C42H83NO3 649.637295 NA MeJP NA NA +MJ088517 2-Amino-4-heneicosene-1,3-diol, N-Heneicosanoyl C42H83NO3 649.637295 NA MeJP NA NA +MJ088518 2-Amino-4-octadecene-1,3-diol, N-Tetracosanoyl C42H83NO3 649.637295 NA MeJP NA NA +HMDB00831 N-Lignoceroylsphingosine C42H83NO3 649.63733 http://www.hmdb.ca/metabolites/HMDB00831 HMDB NA NA +HMDB04956 Ceramide (d18:1/24:0) C42H83NO3 649.63733 http://www.hmdb.ca/metabolites/HMDB04956 HMDB NA NA +HMDB00831 N-Lignoceroylsphingosine C42H83NO3 649.63733 HMDB00831 PFEM_hmdb_metabocards_official NA NA +HMDB04956 Ceramide (d18:1/24:0) C42H83NO3 649.63733 HMDB04956 PFEM_hmdb_metabocards_official NA NA +MJ088519 Caulerpicin C43H87NO2 649.673681 NA MeJP NA NA +C03832 3,5,3'-Triiodothyropyruvate C15H9I3O5 649.7584 NA KEGG NA NA +C03834 3-Hydroxymonocarboxylic acid C3H5O3R 649.7584 NA KEGG NA NA +MetaCyc04008 3,5,3'-triiodothyropyruvate [3,5,3'-triiodothyropyruvate;3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-oxopropanoate;] C15H9O5I3 649.758402 NA metacyc NA NA +MJ088520 Acetiromate C15H9I3O5 649.758403 NA MeJP NA NA +3049 kinases inhibitor LREIQILLRF 649.895 MH2+ Inhouse_peptide NA peptide +MJ088521 Bisnorbadioquinone A C34H18O14 650.069655 NA MeJP NA NA +MJ088522 Lagerstannin C C27H22O19 650.075528 NA MeJP NA NA +MJ088523 Rugosin A; 1,2,3-Tris-O-degalloyl C27H22O19 650.075528 NA MeJP NA NA +MJ088524 Terchebin; 3,6-Di-O-degalloyl C27H22O19 650.075528 NA MeJP NA NA +MJ088525 2,3,6-Trigalloylglucose; ?-D-Pyranose-form, Me glycoside C28H26O18 650.111914 NA MeJP NA NA +MJ088526 3,4,6-Trigalloylglucose; ?-D-Pyranose-form, Me glycoside C28H26O18 650.111914 NA MeJP NA NA +PJ012335 GCCCCY C23H34N6O8S4 650.1321 NA PeJP NA NA +FL3FAACS0090 Vitexin 6''-O-malonyl 2''-O-xyloside C29H30O17 650.14829 205584-37-8 knapsack NA NA +MJ088527 Malonylapiin C29H30O17 650.148299 NA MeJP NA NA +MJ088528 1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[2,6-bis(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] C29H30O17 650.148299 NA MeJP NA NA +MJ088529 Cosmosiin; 2''-?-D-Apiofuranosyl, 6''-O-malonyl C29H30O17 650.148299 NA MeJP NA NA +C05622 Malonylapiin C29H30O17 650.1483 NA KEGG NA NA +PJ012336 GCCCEH C22H34N8O9S3 650.1611 NA PeJP NA NA +PJ012337 GDDDDD C22H30N6O17 650.1668 NA PeJP NA NA +PJ012338 CCCHW C26H34N8O6S3 650.1764 NA PeJP NA NA +PJ012339 SSCCDH C22H34N8O11S2 650.1789 NA PeJP NA NA +MetaCyc04009 heme d [] C34H34N4O6FE1 650.182777 NA metacyc NA NA +FL5FEAGS0018 6-Methoxykaempferol 3-rhamnoside-7-(4'''-acetylrhamnoside) C30H34O16 650.18468 125003-01-2 knapsack NA NA +MJ088530 3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-(4-O-acetyl-?-L-rhamnopyranoside) C30H34O16 650.184685 NA MeJP NA NA +MJ088531 Vitexin; 4'-Me ether, O''-Ac, 7-O-?-D-glucopyranoside C30H34O16 650.184685 NA MeJP NA NA +PJ012340 SPCDDD C23H34N6O14S 650.1854 NA PeJP NA NA +PJ012341 PPCCCE C24H38N6O9S3 650.1863 NA PeJP NA NA +PJ012342 GCNNDE C22H34N8O13S 650.1966 NA PeJP NA NA +PJ012343 GGGGGCDE C22H34N8O13S 650.1967 NA PeJP NA NA +PJ012344 GTCCMH C23H38N8O8S3 650.1975 NA PeJP NA NA +PJ012345 GSDDEE C23H34N6O16 650.2032 NA PeJP NA NA +PJ012346 GPCDEM C24H38N6O11S2 650.204 NA PeJP NA NA +MJ088532 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, [?-L-Arabinofuranosyl-(1?3)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranosyl] ester C27H38O18 650.205814 NA MeJP NA NA +MJ088533 3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Hexa-Ac, 1,2-methylorthoacetate C27H38O18 650.205814 NA MeJP NA NA +MJ088534 3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside, hepta-Ac C27H38O18 650.205814 NA MeJP NA NA +PJ012347 CNNDW C26H34N8O10S 650.2119 NA PeJP NA NA +PJ012348 SSNNDD C22H34N8O15 650.2144 NA PeJP NA NA +PJ012349 SSSCMH C23H38N8O10S2 650.2153 NA PeJP NA NA +PJ012350 SDDEW C27H34N6O13 650.2184 NA PeJP NA NA +PJ012351 PCDMW C28H38N6O8S2 650.2193 NA PeJP NA NA +MJ088535 3',4',5,7-Tetrahydroxy-8-methylisoflavone; 3',4',7-Tri-Me ether, 5-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C31H38O15 650.22107 NA MeJP NA NA +MJ088536 Campneoside I; Demethoxy, 3'''-deoxy, 2-Ac C31H38O15 650.22107 NA MeJP NA NA +MJ088537 Egonol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C31H38O15 650.22107 NA MeJP NA NA +MJ088538 Unedoside; 6-O-[2-O-Acetyl-3-O-cinnamoyl-?-L-rhamnopyranoside] C31H38O15 650.22107 NA MeJP NA NA +FLIACFGM0001 5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-O-neohesperidoside C31H38O15 650.22107 87611-94-7 knapsack NA NA +PJ012352 NEEEM C24H38N6O13S 650.2218 NA PeJP NA NA +MJ088539 Celenamide D C32H34N4O11 650.222407 NA MeJP NA NA +PJ012353 PPTCCM C25H42N6O8S3 650.2227 NA PeJP NA NA +PJ012354 CNMHF C27H38N8O7S2 650.2305 NA PeJP NA NA +PJ012355 DDDMR C23H38N8O12S 650.233 NA PeJP NA NA +PJ012356 GEEMW C28H38N6O10S 650.237 NA PeJP NA NA +MJ088540 Phthalascidin C36H34N4O8 650.237664 NA MeJP NA NA +PJ012357 GSTEEE C24H38N6O15 650.2395 NA PeJP NA NA +PJ012358 GSPEMM C25H42N6O10S2 650.2404 NA PeJP NA NA +PJ012359 NDEHH C25H34N10O11 650.2409 NA PeJP NA NA +PJ012360 GSCNDR C22H38N10O11S 650.2443 NA PeJP NA NA +PJ012361 SNNMW C27H38N8O9S 650.2483 NA PeJP NA NA +PJ012362 SSSNQE C23H38N8O14 650.2508 NA PeJP NA NA +MJ088541 Alopecurone A C39H38O9 650.251582 NA MeJP NA NA +MJ088542 Kuwanol E C39H38O9 650.251582 NA MeJP NA NA +MJ088543 Leachianone C C39H38O9 650.251582 NA MeJP NA NA +MJ088544 Sophoraflavanone I C39H38O9 650.251582 NA MeJP NA NA +MJ088545 Sophoraflavanone J C39H38O9 650.251582 NA MeJP NA NA +PJ012363 NQQMM C24H42N8O9S2 650.2516 NA PeJP NA NA +PJ012364 GGGGAAMM C24H42N8O9S2 650.2517 NA PeJP NA NA +C11589 BQ 518 C32H38N6O7S 650.2523 NA KEGG NA NA +PJ012365 EMWW C32H38N6O7S 650.2523 NA PeJP NA NA +PJ012366 STEEW C28H38N6O12 650.2548 NA PeJP NA NA +PJ012367 SPMMW C29H42N6O7S2 650.2557 NA PeJP NA NA +PJ012368 GDHHW C29H34N10O8 650.2561 NA PeJP NA NA +MJ088546 2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, Hexa-Ac C32H42O14 650.257456 NA MeJP NA NA +MJ088547 8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 16-acetoxy, 2-butanoyl, 4,9,14-tri-Ac C32H42O14 650.257456 NA MeJP NA NA +MJ088548 Furcatoside A C32H42O14 650.257456 NA MeJP NA NA +MJ088549 Ichangin; 4-O-?-D-Glucopyranoside C32H42O14 650.257456 NA MeJP NA NA +C06740 Glucosyl-limonin C32H42O14 650.2575 NA KEGG NA NA +C06741 Feruloyl-polysaccharide C32H42O14 650.2575 NA KEGG NA NA +PJ012369 DKEEM C25H42N6O12S 650.2582 NA PeJP NA NA +PJ012370 AAPMMM C26H46N6O7S3 650.259 NA PeJP NA NA +PJ012371 GPTCHH C26H38N10O8S 650.2595 NA PeJP NA NA +MJ088550 Maytansinol; 15R-Hydroxy, 3-O-(2-methylpropanoyl) C32H43ClN2O10 650.260623 NA MeJP NA NA +MJ088551 Maytansinol; 15S-Hydroxy, 3-O-(2-methylpropanoyl) C32H43ClN2O10 650.260623 NA MeJP NA NA +MJ088552 Maytansinol; 3-O-(3-Hydroxy-3-methylbutanoyl), N-de-Me C32H43ClN2O10 650.260623 NA MeJP NA NA +MJ088553 Maytansinol; 30-Hydroxy, 3-O-(2-methylpropanoyl) C32H43ClN2O10 650.260623 NA MeJP NA NA +PJ012372 CNQMR C23H42N10O8S2 650.2629 NA PeJP NA NA +PJ012373 GSSSQW C27H38N8O11 650.266 NA PeJP NA NA +PJ012374 GGGGGAEF C27H38N8O11 650.2661 NA PeJP NA NA +PJ012375 SEEMR C24H42N8O11S 650.2694 NA PeJP NA NA +PJ012376 APDYW C32H38N6O9 650.27 NA PeJP NA NA +PJ012377 GPEYW C32H38N6O9 650.2701 NA PeJP NA NA +MJ088554 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,7-Dibenzoyl, 4-Ac C36H42O11 650.272712 NA MeJP NA NA +MJ088555 Shizukaol B; 13,15-Dideacyl, 15-(4-hydroxy-3-methyl-2E-butenoyl) C36H42O11 650.272712 NA MeJP NA NA +MJ088556 Altemicidin; 5'-N-(2S-Amino-3S-methylpentanoyl), 6-O-(2S-amino-3S-phenylbutanoyl) C29H42N6O9S 650.273397 NA MeJP NA NA +PJ012378 SVEMW C29H42N6O9S 650.2734 NA PeJP NA NA +PJ012379 CCNRR C22H42N12O7S2 650.2741 NA PeJP NA NA +PJ012380 SSSLEE C25H42N6O14 650.2759 NA PeJP NA NA +PJ012381 LQEMM C26H46N6O9S2 650.2768 NA PeJP NA NA +PJ012382 TQEHH C26H38N10O10 650.2773 NA PeJP NA NA +PJ012383 GSSNMR C23H42N10O10S 650.2806 NA PeJP NA NA +PJ012384 GNQFW C31H38N8O8 650.2813 NA PeJP NA NA +MJ088557 Grandifloritine C35H42N2O10 650.283945 NA MeJP NA NA +PJ012385 SCQKW C28H42N8O8S 650.2846 NA PeJP NA NA +PJ012386 GGTCKW C28H42N8O8S 650.2847 NA PeJP NA NA +PJ012387 PYWW C36H38N6O6 650.2853 NA PeJP NA NA +PJ012388 SSTTQQ C24H42N8O13 650.2871 NA PeJP NA NA +MJ088558 Chondramide A; 2'-Chloro, demethoxy C35H43ClN4O6 650.287112 NA MeJP NA NA +PJ012389 SSSNKE C24H42N8O13 650.2872 NA PeJP NA NA +MJ088559 Excelsaoctaphenol C40H42O8 650.287968 NA MeJP NA NA +PJ012390 VDMMR C25H46N8O8S2 650.288 NA PeJP NA NA +PJ012391 SDHHR C25H38N12O9 650.2885 NA PeJP NA NA +PJ012392 APMFW C33H42N6O6S 650.2887 NA PeJP NA NA +PJ012393 PDKEY C29H42N6O11 650.2912 NA PeJP NA NA +PJ012394 ALMMW C30H46N6O6S2 650.292 NA PeJP NA NA +PJ012395 VCLMW C30H46N6O6S2 650.2921 NA PeJP NA NA +PJ012396 ATHHW C30H38N10O7 650.2925 NA PeJP NA NA +MJ088560 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 10-Tigloyl, 2,4,7,9-tetra-Ac C33H46O13 650.293841 NA MeJP NA NA +MJ088561 8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 3-Butanoyl, 12-propanoyl, 2,9,14-tri-Ac C33H46O13 650.293841 NA MeJP NA NA +PJ012397 PTTTTM C26H46N6O11S 650.2945 NA PeJP NA NA +PJ012398 GTTLEM C26H46N6O11S 650.2946 NA PeJP NA NA +PJ012399 VQMHH C27H42N10O7S 650.2959 NA PeJP NA NA +8201 ACE inhibitor MYPGIA 650.2974 NA ;SYN:()-Piperidine-2-carboxylic acid; (+/-)-2-Piperidinecarboxylate; (+/-)-2-Piperidinecarboxylic acid; (+/-)-Pipecolate; (+/-)-Pipecolic acid; (+/-)-Pipecolinate; (+/-)-Pipecolinic acid; (,+/-,)-2-Piperidinecarboxylic acid; (RS)-2-Piperidinecarboxylate; (RS)-2-Piperidinecarboxylic acid; ,alpha,-Pipecolinic acid; 2-Carboxypiperidine; 2-Pipecolinic acid; 2-Piperidinecarboxylate; 2-Piperidinecarboxylic acid; 2-Piperidinylcarboxylic acid; a-Pipecolinate; a-Pipecolinic acid; acide pipecolique; acide piperidine-carboxylique-2; alpha-Pipecolinate; alpha-Pipecolinic acid; Dihydrobaikiane; DL-2-Piperidinecarboxylate; DL-2-Piperidinecarboxylic acid; DL-Homoproline; DL-Pipecolate; DL-Pipecolic acid; DL-Pipecolinate; DL-Pipecolinic acid; Hexahydro-2-picolinate; Hexahydro-2-picolinic acid; Hexahydropicolinate; Hexahydropicolinic acid; Homoproline; pipecolate; pipecolic acid; Pipecolic acid free base; Pipecolinate; Pipecolinic acid; piperidine-2-carboxylic acid; Piperolinate; Piperolinic acidH2Amniotic Fluid; Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ012400 SSSSQR C23H42N10O12 650.2984 NA PeJP NA NA +MJ088562 Longiberine; Me ether C39H42N2O7 650.299201 NA MeJP NA NA +PJ012401 CNKMR C24H46N10O7S2 650.2993 NA PeJP NA NA +PJ012402 GSSSKW C28H42N8O10 650.3024 NA PeJP NA NA +PJ012403 GSTQKM C25H46N8O10S 650.3058 NA PeJP NA NA +PJ012404 SPVYW C33H42N6O8 650.3064 NA PeJP NA NA +PJ012405 AMHHR C26H42N12O6S 650.3071 NA PeJP NA NA +MJ088563 4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-Cinnamoyl, 2,9,10,13-tetra-Ac C37H46O10 650.309097 NA MeJP NA NA +MJ088564 4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-Cinnamoyl, 7,9,10,13-tetra-Ac C37H46O10 650.309097 NA MeJP NA NA +MJ088565 4,11-Taxadiene-2,9,10,13,20-pentol, 20-Cinnamoyl, 2,9,10,13-tetra-Ac C37H46O10 650.309097 NA MeJP NA NA +PJ012406 TTLMW C30H46N6O8S 650.3098 NA PeJP NA NA +MJ088566 Naloxonazine C38H42N4O6 650.310435 NA MeJP NA NA +PJ012407 STTTLE C26H46N6O13 650.3123 NA PeJP NA NA +2717 erythromycin inhibitor MRMLT 650.3128 NA Inhouse_peptide NA peptide +PJ012408 LKEMM C27H50N6O8S2 650.3132 NA PeJP NA NA +PJ012409 GQQRY C27H42N10O9 650.3136 NA PeJP NA NA +PJ012410 GGAQRY C27H42N10O9 650.3137 NA PeJP NA NA +PJ012411 GSTCKR C24H46N10O9S 650.317 NA PeJP NA NA +PJ012412 GNKFW C32H42N8O7 650.3177 NA PeJP NA NA +PJ012413 SCKKW C29H46N8O7S 650.321 NA PeJP NA NA +PJ012414 GPPLMH C29H46N8O7S 650.3211 NA PeJP NA NA +PJ012415 LFWW C37H42N6O5 650.3217 NA PeJP NA NA +PJ012416 SSSDKK C25H46N8O12 650.3235 NA PeJP NA NA +MJ088567 Antibiotic B 3454 C25H46N8O12 650.323518 NA MeJP NA NA +PJ012417 TLMMR C26H50N8O7S2 650.3244 NA PeJP NA NA +PJ012418 TTHHR C26H42N12O8 650.3249 NA PeJP NA NA +MJ088568 Strychnogucine A C42H42N4O3 650.325691 NA MeJP NA NA +MJ088569 Sungucine; 18-Hydroxy C42H42N4O3 650.325691 NA MeJP NA NA +PJ012419 VLQEY C30H46N6O10 650.3276 NA PeJP NA NA +C09561 Thapsigargin C34H50O12 650.3302 NA KEGG NA NA +MJ088570 2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-Octanoyl, 3-angeloyl, 8-butanoyl, 10-Ac C34H50O12 650.330227 NA MeJP NA NA +MJ088571 3,14,17,20-Tetrahydroxy-1-oxo-5,24-withadienolide, 3-O-?-D-Glucopyranoside C34H50O12 650.330227 NA MeJP NA NA +MJ088572 3,14,20,27-Tetrahydroxy-1-oxo-5,24-withadienolide, 3-O-?-D-Glucopyranoside C34H50O12 650.330227 NA MeJP NA NA +MJ088573 Premyrsinol; 5-(2-Methylpropanoyl), 3,17-dipropanoyl, 7,13-di-Ac C34H50O12 650.330227 NA MeJP NA NA +PJ012420 SSTLLM C27H50N6O10S 650.3309 NA PeJP NA NA +PJ012421 VKMHH C28H46N10O6S 650.3323 NA PeJP NA NA +2810 PEP inhibitor MPPPLP 650.3324 NA Inhouse_peptide NA peptide +PJ012422 SSSSKR C24H46N10O11 650.3348 NA PeJP NA NA +PJ012423 ALERY C29H46N8O9 650.3388 NA PeJP NA NA +PJ012424 GSTKKM C26H50N8O9S 650.3422 NA PeJP NA NA +PJ012425 GLLYW C34H46N6O7 650.3428 NA PeJP NA NA +PJ012426 PLKMY C31H50N6O7S 650.3462 NA PeJP NA NA +PJ012427 GQKRY C28H46N10O8 650.35 NA PeJP NA NA +PJ012428 PVLHW C33H46N8O6 650.3541 NA PeJP NA NA +MJ088574 Cytotrienin A; 1'',2''-Dihydro C37H50N2O8 650.356716 NA MeJP NA NA +PJ012429 VVMFR C30H50N8O6S 650.3574 NA PeJP NA NA +PJ012430 SSTTKK C26H50N8O11 650.3599 NA PeJP NA NA +MJ088575 Dipuupehedione C42H50O6 650.360739 NA MeJP NA NA +PJ012431 PNKHR C27H46N12O7 650.3613 NA PeJP NA NA +2905 neuropeptide from eyestalk of Macrobrachium rosenb DRTPALRLRFG 650.36145 MH2+ Inhouse_peptide NA peptide +PJ012432 VLKEY C31H50N6O9 650.3639 NA PeJP NA NA +PJ012433 GSVLLY C31H50N6O9 650.364 NA PeJP NA NA +MJ088576 2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Xylopyranoside C35H54O11 650.366612 NA MeJP NA NA +MJ088577 3,12,14-Trihydroxycard-20(22)-enolide, 3-O-[Digitoxopyranosyl-(1?4)-digitoxopyranoside] C35H54O11 650.366612 NA MeJP NA NA +MJ088578 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-ribo-hexopyranoside] C35H54O11 650.366612 NA MeJP NA NA +PJ012434 SLLRY C30H50N8O8 650.3752 NA PeJP NA NA +PJ012435 PLKFF C35H50N6O6 650.3792 NA PeJP NA NA +MJ088579 2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, 23-(4-Hydroxy-E-cinnamoyl) C39H54O8 650.381868 NA MeJP NA NA +MJ088580 2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, 23-(4-Hydroxy-Z-cinnamoyl) C39H54O8 650.381868 NA MeJP NA NA +MJ088581 2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-O-(3,4-Dihydroxy-E-cinnamoyl) C39H54O8 650.381868 NA MeJP NA NA +MJ088582 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-(3,4-Dihydroxycinnamoyl)(E-) C39H54O8 650.381868 NA MeJP NA NA +MJ088583 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-(3,4-Dihydroxycinnamoyl)(Z-) C39H54O8 650.381868 NA MeJP NA NA +MJ088584 3,20,21,24,30-Pentahydroxy-14-serraten-16-one, 30-(4-Hydroxycinnamoyl) C39H54O8 650.381868 NA MeJP NA NA +PJ012436 LLKMF C32H54N6O6S 650.3826 NA PeJP NA NA +PJ012437 GKKRY C29H50N10O7 650.3864 NA PeJP NA NA +MJ088585 Glycolipid B C32H58O13 650.387741 NA MeJP NA NA +MJ088586 2,3,16,20-Tetrahydroxy-5,24-cucurbitadien-22-one, 2-O-?-D-Glucopyranoside C36H58O10 650.402998 NA MeJP NA NA +MJ088587 2,3,16,23-Tetrahydroxy-12-oleanen-28-al, 3-O-?-D-Glucopyranoside C36H58O10 650.402998 NA MeJP NA NA +MJ088588 2,3,19-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Galactopyranoside C36H58O10 650.402998 NA MeJP NA NA +MJ088589 2,3,19-Trihydroxy-12-oleanen-28-oic acid, ?-D-Glucopyranosyl ester C36H58O10 650.402998 NA MeJP NA NA +MJ088590 2,3,19-Trihydroxy-12-ursen-28-oic acid, 28-O-?-D-Galactopyranosyl ester C36H58O10 650.402998 NA MeJP NA NA +MJ088591 2,3,19-Trihydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O10 650.402998 NA MeJP NA NA +MJ088592 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O10 650.402998 NA MeJP NA NA +MJ088593 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside C36H58O10 650.402998 NA MeJP NA NA +MJ088594 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 23-O-?-D-Glucopyranoside C36H58O10 650.402998 NA MeJP NA NA +MJ088595 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside C36H58O10 650.402998 NA MeJP NA NA +MJ088596 2,3,23-Trihydroxy-12-oleanen-28-oic acid, ?-D-Glucopyranosyl ester C36H58O10 650.402998 NA MeJP NA NA +MJ088597 2,3,23-Trihydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O10 650.402998 NA MeJP NA NA +MJ088598 2,3,23-Trihydroxy-13(18)-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O10 650.402998 NA MeJP NA NA +MJ088599 2,3,24-Trihydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O10 650.402998 NA MeJP NA NA +MJ088600 2,3,6-Trihydroxy-20(29)-lupen-28-oic acid, 28-O-Glucopyranosyl ester C36H58O10 650.402998 NA MeJP NA NA +MJ088601 20,24-Epoxy-3,16,25-trihydroxycycloartan-6-one, 3-O-?-D-Glucopyranoside C36H58O10 650.402998 NA MeJP NA NA +MJ088602 3,19,23-Trihydroxy-12-ursen-28-oic acid, ?-D-Glucopyranosyl ester C36H58O10 650.402998 NA MeJP NA NA +MJ088603 3,19,24-Trihydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O10 650.402998 NA MeJP NA NA +MJ088604 3,21,23-Trihydroxy-12-oleanen-28-oic acid, 21-O-?-D-Glucopyranoside C36H58O10 650.402998 NA MeJP NA NA +MJ088605 3,21,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside C36H58O10 650.402998 NA MeJP NA NA +MJ088606 Cimigenol; 3-O-?-D-Glucopyranoside C36H58O10 650.402998 NA MeJP NA NA +MJ088607 Flavofungin; Flavofungin I C36H58O10 650.402998 NA MeJP NA NA +MJ088608 Hovenolactone; 3-O-?-D-Glucopyranoside C36H58O10 650.402998 NA MeJP NA NA +MJ088609 Longisporin C36H58O10 650.402998 NA MeJP NA NA +MJ088610 Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Digitoxopyranosyl-(1?4)-O-?-D-oleandropyranoside], 20-Ac C36H58O10 650.402998 NA MeJP NA NA +PJ012438 TKKKF C31H54N8O7 650.4116 NA PeJP NA NA +MJ088611 Aplydilactone C40H58O7 650.418254 NA MeJP NA NA +PJ012439 LLLHR C30H54N10O6 650.4228 NA PeJP NA NA +PJ012440 PPVLLL C33H58N6O7 650.4367 NA PeJP NA NA +MJ088612 Staphisine; 19-Oxo C43H58N2O3 650.444743 NA MeJP NA NA +MJ088613 Fritillebin B; 3'-Deacetoxy C42H66O5 650.491025 NA MeJP NA NA +MJ088614 Variabilin, 18-(10-Methylhexadecanoyl) C42H66O5 650.491025 NA MeJP NA NA +MJ088615 Variabilin, 18-(14-Methylhexadecanoyl) C42H66O5 650.491025 NA MeJP NA NA +MJ088616 Variabilin, 18-(15-Methylhexadecanoyl) C42H66O5 650.491025 NA MeJP NA NA +MJ088617 2-(3,7,11,15,19,23,27-Heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl)-1,4-naphthalenediol; 4-Me ether C46H66O2 650.506281 NA MeJP NA NA +MJ088618 20-Hydroxy-4,12,23,27,43-hexatetracontapentaene-1,18,21,45-tetrayn-3-one C46H66O2 650.506281 NA MeJP NA NA +MJ088619 Petroformyne 1; 44-Deoxy, ?43-isomer, 23Z-isomer, 20-ketone C46H66O2 650.506281 NA MeJP NA NA +MJ088620 Calamistrin A; 15-Epimer, 17-Ac C39H70O7 650.512154 NA MeJP NA NA +MJ088621 Calamistrin A; 22-Epimer, 17-Ac C39H70O7 650.512154 NA MeJP NA NA +HMDB12084 SM(d18:0/12:0) C35H75N2O6P 650.536255 NA HMDB2010 NA NA +HMDB05213 DG(18:0/20:1(11Z)/0:0)[iso2] C41H78O5 650.5849 http://www.hmdb.ca/metabolites/HMDB05213 HMDB NA NA +HMDB05227 DG(18:1(9Z)/20:0/0:0)[iso2] C41H78O5 650.5849 http://www.hmdb.ca/metabolites/HMDB05227 HMDB NA NA +HMDB05213 DG(18:0/20:1(11Z)/0:0)[iso2] C41H78O5 650.5849 HMDB05213 PFEM_hmdb_metabocards_official NA NA +HMDB05227 DG(18:1(9Z)/20:0/0:0)[iso2] C41H78O5 650.5849 HMDB05227 PFEM_hmdb_metabocards_official NA NA +HMDB07036 DG(14:0/24:1(15Z)/0:0) C41H78O5 650.5849 NA HMDB2010 NA NA +HMDB07064 DG(14:1(9Z)/24:0/0:0) C41H78O5 650.5849 NA HMDB2010 NA NA +HMDB07116 DG(16:0/22:1(13Z)/0:0) C41H78O5 650.5849 NA HMDB2010 NA NA +HMDB07144 DG(16:1(9Z)/22:0/0:0) C41H78O5 650.5849 NA HMDB2010 NA NA +HMDB07166 DG(18:0/20:1(11Z)/0:0) C41H78O5 650.5849 NA HMDB2010 NA NA +HMDB07194 DG(18:1(11Z)/20:0/0:0) C41H78O5 650.5849 NA HMDB2010 NA NA +HMDB07223 DG(18:1(9Z)/20:0/0:0) C41H78O5 650.5849 NA HMDB2010 NA NA +HMDB07362 DG(20:0/18:1(11Z)/0:0) C41H78O5 650.5849 NA HMDB2010 NA NA +HMDB07363 DG(20:0/18:1(9Z)/0:0) C41H78O5 650.5849 NA HMDB2010 NA NA +HMDB07390 DG(20:1(11Z)/18:0/0:0) C41H78O5 650.5849 NA HMDB2010 NA NA +HMDB07592 DG(22:0/16:1(9Z)/0:0) C41H78O5 650.5849 NA HMDB2010 NA NA +HMDB07620 DG(22:1(13Z)/16:0/0:0) C41H78O5 650.5849 NA HMDB2010 NA NA +HMDB07792 DG(24:0/14:1(9Z)/0:0) C41H78O5 650.5849 NA HMDB2010 NA NA +HMDB07820 DG(24:1(15Z)/14:0/0:0) C41H78O5 650.5849 NA HMDB2010 NA NA +HMDB00918 CE(18:1(9Z)) C45H78O2 650.600159 NA HMDB2010 NA NA +HMDB05189 CE(18:1(11Z)) C45H78O2 650.600159 NA HMDB2010 NA NA +HMDB00918 Cholesteryl oleate C45H78O2 650.60016 http://www.hmdb.ca/metabolites/HMDB00918 HMDB NA NA +HMDB00918 Cholesteryl oleate C45H78O2 650.60016 HMDB00918 PFEM_hmdb_metabocards_official NA NA +MJ088622 20(29)-Lupen-3-ol, Pentadecanoyl C45H78O2 650.600181 NA MeJP NA NA +MJ088623 Cholest-5-en-3-ol, 9Z-Octadecenoyl C45H78O2 650.600181 NA MeJP NA NA +MJ088624 Stigmasta-5,22-dien-3-ol, Hexadecanoyl C45H78O2 650.600181 NA MeJP NA NA +C14641 Cholesteryl oleate C45H78O2 650.6002 NA KEGG NA NA +C13822 2S,3R-Didecanoyl-docosane-2,3-diol C42H82O4 650.6213 NA KEGG NA NA +MJ088625 1,3-Octatriacontanediol; Di-Ac C42H82O4 650.621311 NA MeJP NA NA +MJ088626 7,11,15,19,22,26,30,34-Octamethyl-1,4-dioxacyclohexatriacontane-2-methanol C43H86O3 650.657696 NA MeJP NA NA +C02465 Triiodothyronine C15H12I3NO4 650.79 NA KEGG NA NA +C07639 3,3',5'-Triiodo-L-thyronine C15H12I3NO4 650.79 NA KEGG NA NA +MetaCyc04010 L-triiodothyronine [3,5,3'-triiodothyronine;triiodothyronine;triothyrone;4-(3-iodo-4-hydroxy-phenoxy)-3,5-diiodophenylalanine;3,3',5-triiodo-L-thyronine;L-3,5,3'-triiodothyronine;3,5,3'-triiodo-L-thyronine;liothyronine;3,3',5'-triiodo-L-thyronine;] C15H12N1O4I3 650.790037 02/03/6893 metacyc NA NA +MJ088627 Triiodothyronine C15H12I3NO4 650.790038 NA MeJP NA NA +MJ088628 3,3',5-Triiodothyronine C15H12I3NO4 650.790038 NA MeJP NA NA +HMDB00265 Liothyronine C15H12I3NO4 650.790039 NA HMDB2010 NA NA +HMDB00265 Liothyronine C15H12I3NO4 650.79004 http://www.hmdb.ca/metabolites/HMDB00265 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00265 Liothyronine C15H12I3NO4 650.79004 http://www.hmdb.ca/metabolites/HMDB00265 HMDB NA NA +HMDB06780 Triiodo thyronine C15H12I3NO4 650.79004 http://www.hmdb.ca/metabolites/HMDB06780 HMDB NA NA +HMDB00265 Liothyronine C15H12I3NO4 650.79004 NA ;SYN:2-Amino-3-hydroxybenzoate; 2-Amino-3-hydroxybenzoic acid; 2-amino-3-hydroxy-Benzoate; 2-amino-3-hydroxy-Benzoic acid; 3-Hydroxy-2-aminobenzoate; 3-Hydroxy-2-aminobenzoic acid; 3-Hydroxy-anthranilsaeure; 3-hydroxyanthranilic acid; 3-Hydroxyanthranilate; 3-OHAA; 3-OH-anthranilic acid; 3-Oxyanthranilate; 3-Oxyanthranilic acid; 3-hydroxanthranilate; 3-hydroxyantranilic acid; 3-hydroxy-Anthranilate; 3-hydroxy-Anthranilic acidH2Blood; Urine Inhouse_peptide NA peptide +HMDB00265 Liothyronine C15H12I3NO4 650.79004 http://www.hmdb.ca/metabolites/HMDB00265 PFEM_hmdb_metabocards_blood NA blood +HMDB00265 Liothyronine C15H12I3NO4 650.79004 HMDB00265 PFEM_hmdb_metabocards_official NA NA +HMDB06780 Triiodo thyronine C15H12I3NO4 650.79004 HMDB06780 PFEM_hmdb_metabocards_official NA NA +2904 neuropeptide from eyestalk of Macrobrachium rosenb GGRSPSLRLRFG 650.859 MH2+ Inhouse_peptide NA peptide +7725 NA RIGKMVSFPRI~ 650.8807 MH2+ Inhouse_peptide NA peptide +MJ088629 8-[[3-[(3-Nitrobenzoyl)amino]benzoyl]amino]-1,3,5-naphthalenetrisulfonic acid C24H17N3O13S3 650.992349 NA MeJP NA NA +MJ088630 Neosurugatoxin; 5'-O-Dexylosyl C25H26BrN5O11 651.081219 NA MeJP NA NA +HMDB00887 Hemin C34H32ClFeN4O4 651.146118 NA HMDB2010 NA NA +HMDB00887 Hemin C34H32ClFeN4O4 651.14618 http://www.hmdb.ca/metabolites/HMDB00887 HMDB NA NA +HMDB00887 Hemin C34H32ClFeN4O4 651.14618 HMDB00887 PFEM_hmdb_metabocards_official NA NA +C06767 Hemine C34H32ClFeN4O4 651.1462 NA KEGG NA NA +C06768 Tetrasaccharide C34H32ClFeN4O4 651.1462 NA KEGG NA NA +FL7AAAGA0008 Pelargonidin 3-O-[2-O-(beta-D-xylopyranosyl)-6-O-(malonyl)-bata-D-galactopyranoside] C29H31O17 651.15612 345306-90-3 knapsack NA NA +PJ012441 GCNDDE C22H33N7O14S 651.1806 NA PeJP NA NA +PJ012442 GGGCDDE C22H33N7O14S 651.1807 NA PeJP NA NA +MJ088631 Chrymutin; O-[3-O-Methyl-?-D-fucopyranosyl-(1?2)-?-D-fucopyranoside] C33H33NO13 651.19519 NA MeJP NA NA +PJ012443 CNDDW C26H33N7O11S 651.1959 NA PeJP NA NA +PJ012444 SSNDDD C22H33N7O16 651.1984 NA PeJP NA NA +PJ012445 SPCCNE C23H37N7O11S2 651.1993 NA PeJP NA NA +PJ012446 CMMMH C24H41N7O6S4 651.2001 NA PeJP NA NA +PJ012447 TCCYY C28H37N5O9S2 651.2033 NA PeJP NA NA +PJ012448 DEEEM C24H37N5O14S 651.2058 NA PeJP NA NA +PJ012449 GCNNNM C22H37N9O10S2 651.2105 NA PeJP NA NA +PJ012450 GSPCCW C27H37N7O8S2 651.2145 NA PeJP NA NA +PJ012451 GSNDEM C23H37N7O13S 651.217 NA PeJP NA NA +PJ012452 GPCNMM C24H41N7O8S3 651.2179 NA PeJP NA NA +PJ012453 DDEHH C25H33N9O12 651.2249 NA PeJP NA NA +PJ012454 GSCDDR C22H37N9O12S 651.2283 NA PeJP NA NA +PJ012455 APCCCR C23H41N9O7S3 651.2291 NA PeJP NA NA +PJ012456 SNDMW C27H37N7O10S 651.2323 NA PeJP NA NA +PJ012457 SSSNEE C23H37N7O15 651.2348 NA PeJP NA NA +PJ012458 DQQMM C24H41N7O10S2 651.2356 NA PeJP NA NA +PJ012459 NQEMM C24H41N7O10S2 651.2357 NA PeJP NA NA +PJ012460 GCFYY C32H37N5O8S 651.2363 NA PeJP NA NA +PJ012461 PDEEY C28H37N5O13 651.2388 NA PeJP NA NA +PJ012462 GSSSSNN C22H37N9O14 651.246 NA PeJP NA NA +PJ012463 CNEMR C23H41N9O9S2 651.2469 NA PeJP NA NA +PJ012464 GTCWW C31H37N7O7S 651.2475 NA PeJP NA NA +PJ012465 GSSSEW C27H37N7O12 651.25 NA PeJP NA NA +PJ012466 GGGSPDY C27H37N7O12 651.2501 NA PeJP NA NA +PJ012467 GQMMW C28H41N7O7S2 651.2509 NA PeJP NA NA +PJ012468 GSTQEM C24H41N7O12S 651.2534 NA PeJP NA NA +PJ012469 GSYYY C32H37N5O10 651.2541 NA PeJP NA NA +PJ012470 APCCKM C25H45N7O7S3 651.2543 NA PeJP NA NA +PJ012471 CQQHH C25H37N11O8S 651.2547 NA PeJP NA NA +PJ012472 NNMHH C25H37N11O8S 651.2548 NA PeJP NA NA +PJ012473 PEEMF C29H41N5O10S 651.2574 NA PeJP NA NA +PJ012474 CCDRR C22H41N11O8S2 651.2581 NA PeJP NA NA +MJ088632 N-Acetylmuramoyl-L-alanyl-D-glutamyl-?-diaminoadipic acid C25H41N5O15 651.259915 NA MeJP NA NA +PJ012475 LEEMM C26H45N5O10S2 651.2608 NA PeJP NA NA +PJ012476 NNNQY C26H37N9O11 651.2613 NA PeJP NA NA +PJ012477 GCMRW C27H41N9O6S2 651.2622 NA PeJP NA NA +PJ012478 SSCNNK C23H41N9O11S 651.2646 NA PeJP NA NA +PJ012479 GSSDMR C23H41N9O11S 651.2647 NA PeJP NA NA +PJ012480 SSSWW C31H37N7O9 651.2653 NA PeJP NA NA +MJ088633 Rifamycin Z C35H41NO11 651.267961 NA MeJP NA NA +C14723 Rifamycin Z C35H41NO11 651.268 NA KEGG NA NA +PJ012481 STQMW C28H41N7O9S 651.2687 NA PeJP NA NA +PJ012482 SSSDKE C24H41N7O14 651.2712 NA PeJP NA NA +PJ012483 NKEMM C25H45N7O9S2 651.272 NA PeJP NA NA +PJ012484 GGKEMM C25H45N7O9S2 651.2721 NA PeJP NA NA +PJ012485 GSSQHH C25H37N11O10 651.2725 NA PeJP NA NA +PJ012486 VEEEF C29H41N5O12 651.2752 NA PeJP NA NA +PJ012487 PDHHF C30H37N9O8 651.2765 NA PeJP NA NA +MJ088634 Cinecromen C34H41N3O10 651.279194 NA MeJP NA NA +PJ012488 STCRW C27H41N9O8S 651.2799 NA PeJP NA NA +PJ012489 NFWW C35H37N7O6 651.2805 NA PeJP NA NA +PJ012490 GGFWW C35H37N7O6 651.2806 NA PeJP NA NA +PJ012491 SSSSER C23H41N9O13 651.2824 NA PeJP NA NA +PJ012492 SQMMR C24H45N9O8S2 651.2833 NA PeJP NA NA +PJ012493 AMHFF C32H41N7O6S 651.2839 NA PeJP NA NA +PJ012494 GSTTTW C28H41N7O11 651.2864 NA PeJP NA NA +PJ012495 GKMMW C29H45N7O6S2 651.2873 NA PeJP NA NA +MetaCyc04011 17-α-(N-acetyl-D-glucosaminyl)estradiol 3-D-glucuronoside [] C32H45N1O13 651.289091 NA metacyc NA NA +C04806 17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside C32H45NO13 651.2891 NA KEGG NA NA +PJ012496 GSTKEM C25H45N7O11S 651.2898 NA PeJP NA NA +PJ012497 PPEFY C33H41N5O9 651.2905 NA PeJP NA NA +PJ012498 CQKHH C26H41N11O7S 651.2911 NA PeJP NA NA +PJ012499 GACKHH C26H41N11O7S 651.2912 NA PeJP NA NA +PJ012500 PLEMY C30H45N5O9S 651.2938 NA PeJP NA NA +PJ012501 SCMRR C23H45N11O7S2 651.2945 NA PeJP NA NA +PJ012502 GQERY C27H41N9O10 651.2977 NA PeJP NA NA +7893 peptide from bovine b-lactoglobulin A YVEEL 651.299 ACE inhibitor Inhouse_peptide NA peptide +PJ012503 GSTTMR C24H45N9O10S 651.301 NA PeJP NA NA +PJ012504 GVQYW C32H41N7O8 651.3017 NA PeJP NA NA +MJ088635 Myrsinol; 7-(3-Pyridinecarbonyl), 3,5-dibutanoyl, 15-Ac C36H45NO10 651.304346 NA MeJP NA NA +PJ012505 STKMW C29H45N7O8S 651.305 NA PeJP NA NA +PJ012506 GGPKMY C29H45N7O8S 651.3051 NA PeJP NA NA +PJ012507 SSTTKE C25H45N7O13 651.3075 NA PeJP NA NA +PJ012508 GSSSTTL C25H45N7O13 651.3076 NA PeJP NA NA +MJ088636 Methylprednisolone suleptanate C33H49NO10S 651.307717 NA MeJP NA NA +PJ012509 DKKMM C26H49N7O8S2 651.3084 NA PeJP NA NA +PJ012510 PNEHR C26H41N11O9 651.3089 NA PeJP NA NA +PJ012511 VLEEY C30H45N5O11 651.3116 NA PeJP NA NA +PJ012512 QRYW C31H41N9O7 651.3129 NA PeJP NA NA +7631 ACE inhibitor from k-CN (fr, 56-60) LPYPY 651.314 antioxidative Inhouse_peptide NA peptide +PJ012513 AQMFR C28H45N9O7S 651.3163 NA PeJP NA NA +PJ012514 SSTTTR C24H45N9O12 651.3188 NA PeJP NA NA +PJ012515 SKMMR C25H49N9O7S2 651.3197 NA PeJP NA NA +PJ012516 VNKEY C29H45N7O10 651.3228 NA PeJP NA NA +PJ012517 GPHRW C30H41N11O6 651.3242 NA PeJP NA NA +PJ012518 SSSLKM C26H49N7O10S 651.3262 NA PeJP NA NA +PJ012519 PPLYY C34H45N5O8 651.3268 NA PeJP NA NA +PJ012520 ACFRR C27H45N11O6S 651.3275 NA PeJP NA NA +PJ012521 LLEMF C31H49N5O8S 651.3302 NA PeJP NA NA +PJ012522 GKERY C28H45N9O9 651.334 NA PeJP NA NA +PJ012523 GGSLRY C28H45N9O9 651.3341 NA PeJP NA NA +MJ088637 Glycylalanylprolylmethionylphenylalanylvalinamide; 4-L-Tyrosine analogue C33H45N7O7 651.338046 NA MeJP NA NA +PJ012524 GVKYW C33H45N7O7 651.3381 NA PeJP NA NA +MJ088638 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-(3-Dimethylamino-3-phenylpropanoyl), 2,9,10-tri-Ac C37H49NO9 651.340732 NA MeJP NA NA +MJ088639 Milbemycin ?3; 26-O-(2-Pyrrolylcarbonyloxy) C37H49NO9 651.340732 NA MeJP NA NA +MJ088640 Protostreptovaricin I; 19-O-Me C37H49NO9 651.340732 NA MeJP NA NA +MJ088641 Spicaledonine; 2'-Deoxy C37H49NO9 651.340732 NA MeJP NA NA +PJ012525 VQKMF C30H49N7O7S 651.3414 NA PeJP NA NA +PJ012526 GGLKMF C30H49N7O7S 651.3415 NA PeJP NA NA +MJ088642 Scutianine A; N-De-Me C38H45N5O5 651.342069 NA MeJP NA NA +C10014 Scutianine F C38H45N5O5 651.3421 NA KEGG NA NA +3591 heparin-binding peptide WQWRMKKLGA 651.3437 MH2+ Inhouse_peptide NA peptide +PJ012527 TTTTTK C26H49N7O12 651.3439 NA PeJP NA NA +PJ012528 GTRRY C27H45N11O8 651.3453 NA PeJP NA NA +PJ012529 KRYW C32H45N9O6 651.3493 NA PeJP NA NA +PJ012530 AKMFR C29H49N9O6S 651.3527 NA PeJP NA NA +PJ012531 SPHRR C26H45N13O7 651.3565 NA PeJP NA NA +PJ012532 VDKKY C30H49N7O9 651.3592 NA PeJP NA NA +PJ012533 PLLFY C35H49N5O7 651.3632 NA PeJP NA NA +PJ012534 LLLMY C32H53N5O7S 651.3666 NA PeJP NA NA +PJ012535 SVKRY C29H49N9O8 651.3704 NA PeJP NA NA +PJ012536 GGGVLLH C29H49N9O8 651.3705 NA PeJP NA NA +PJ012537 VKKMF C31H53N7O6S 651.3778 NA PeJP NA NA +PJ012538 VLQHR C28H49N11O7 651.3817 NA PeJP NA NA +HMDB06750 beta-D-Galactosyl-1,4-beta-D-Glucosylceramide C31H57NO13 651.383 http://www.hmdb.ca/metabolites/HMDB06750 HMDB NA NA +HMDB06750 beta-D-Galactosyl-1,4-beta-D-Glucosylceramide C31H57NO13 651.383 HMDB06750 PFEM_hmdb_metabocards_official NA NA +PJ012539 ALHRR C27H49N13O6 651.3929 NA PeJP NA NA +3514 ACE inhibitor (a-La 105-110) LAHKAL 651.394 ACE inhibitor Inhouse_peptide NA peptide +PJ012540 TLKKY C31H53N7O8 651.3956 NA PeJP NA NA +PJ012541 LLLFF C36H53N5O6 651.3996 NA PeJP NA NA +PJ012542 GPPLLR C30H53N9O7 651.4068 NA PeJP NA NA +7487 ACE inhibitor from b-casein (169-174) KVLPVP 651.418 antioxidative Inhouse_peptide NA peptide +PJ012543 VLKHR C29H53N11O6 651.4181 NA PeJP NA NA +PJ012544 PPVVLK C32H57N7O7 651.432 NA PeJP NA NA +EUR807 Lyso PC 24:1 [M+FA-H]- C32H64NO7P 651.446922 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR807 Lyso PC 24:1 [M+FA-H]- C32H64NO7P 651.446922 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR807 Lyso PC 24:1 [M+FA-H]- C32H64NO7P 651.446922 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR807 Lyso PC 24:1 [M+FA-H]- C32H64NO7P 651.446922 masses lipides attendues Inhousejuil11 NA NA +MJ088643 Myxovirescin P1 C37H65NO8 651.471018 NA MeJP NA NA +MJ088644 Variceramides; Variceramide 1 C41H81NO4 651.61656 NA MeJP NA NA +HMDB11768 Cer(d18:0/24:0) C42H85NO3 651.652954 NA HMDB2010 NA NA +MJ088645 Bromotris(1-phenyl-1,3-butanedionato-O,O')zirconium(IV) C30H27BrO6Zr 652.003804 NA MeJP NA NA +MJ088646 Malhamensilipin A C24H42Cl6O5S 652.088411 NA MeJP NA NA +MJ088647 Chebulinic acid; 3,6-Bis-O-degalloyl C27H24O19 652.091178 NA MeJP NA NA +MJ088648 Pelargoniin D C27H24O19 652.091178 NA MeJP NA NA +MJ088649 Congo red C32H24N6O6S2 652.119873 NA MeJP NA NA +FL3FADGS0012 Luteolin 3'-methyl ether 7-glucuronosyl-(1->2)-glucuronide C28H28O18 652.12756 83097-46-5 knapsack NA NA +FL3FADGS0024 Chrysoeriol 7,4'-diglucuronide;4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-methoxyphenyl beta-D-glucopyranosiduronic acid C28H28O18 652.12756 80366-06-9 knapsack NA NA +MJ088650 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C28H28O18 652.127564 NA MeJP NA NA +MJ088651 ?-Naphthocyclinone; Parent acid C32H28O15 652.14282 NA MeJP NA NA +MJ088652 Griffipavixanthone C36H28O12 652.158076 NA MeJP NA NA +MJ088653 Julimycin BI C36H28O12 652.158076 NA MeJP NA NA +PJ012545 GCCCMH C22H36N8O7S4 652.159 NA PeJP NA NA +FL3FACGS0057 Luteolin 7-(6'''-acetylallosyl-(1->2)-glucoside) C29H32O17 652.16394 135649-96-6 knapsack NA NA +FL3FACGS0058 Luteolin 7-(6'''-acetylsophoroside) C29H32O17 652.16394 135546-08-6 knapsack NA NA +FL3FAIGS0005 Tricin 7-rhamnosyl-(1->2)-galacturonide C29H32O17 652.16394 89915-54-8 knapsack NA NA +FL3FAJGS0001 Tricetin 4'-methyl ether 7-apiosyl-(1->2)-(6''-acetylglucoside);7-[(6-O-Acetyl-2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one C29H32O17 652.16394 244173-90-8 knapsack NA NA +FL3FFAGS0005 Isoscutellarein 7-(6'''-acetylallosyl-(1->2)-glucoside) C29H32O17 652.16394 80666-75-7 knapsack NA NA +FL5FAAGL0083 Kaempferol 3-(6''-acetylglucoside)-7-glucoside C29H32O17 652.16394 66465-23-4 knapsack NA NA +FL5FAAGS0119 Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside;Ricinitin;3-[[3-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C29H32O17 652.16394 195702-53-5 knapsack NA NA +FL5FACGA0040 Quercetin 3-(6''-acetylgalactoside)-7-rhamnoside C29H32O17 652.16394 124027-51-6 knapsack NA NA +FL5FACGS0056 Quercetin 3-(6'''-acetylglucosyl)(1->4)-rhamnoside C29H32O17 652.16394 145626-31-9 knapsack NA NA +FL5FACGS0107 Quercetin 3-rhamnosyl-(1->6)-(2''-acetylglucoside);3-[[2-O-Acetyl-6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C29H32O17 652.16394 455253-61-9 knapsack NA NA +FL5FADGS0030 Isorhamnetin 3-(2'''-acetyl-alpha-arabinopyranosyl)-(1->6)-galactoside;Quercetin 3'-methyl ether 3-(2'''-acetyl-alpha-arabinopyranosyl)-(1->6)-galactoside;3-[[6-O-(2-O-Acetyl-alpha-L-arabinopyranosyl)-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C29H32O17 652.16394 209533-52-8 knapsack NA NA +MJ088654 3',4',5,5',7-Pentahydroxyflavone; 4'-Me ether, 7-O-[?-D-apiofuranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] C29H32O17 652.163949 NA MeJP NA NA +MJ088655 3',4',5,7-Tetrahydroxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-?-D-glucopyranoside] C29H32O17 652.163949 NA MeJP NA NA +MJ088656 4',5,7,8-Tetrahydroxyflavone; 4'-O-[2-O-Acetyl-?-D-mannopyranosyl-(1?2)-?-D-glucopyranoside] C29H32O17 652.163949 NA MeJP NA NA +MJ088657 4',5,7,8-Tetrahydroxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-?-D-glucopyranoside] C29H32O17 652.163949 NA MeJP NA NA +MJ088658 4',5,7,8-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], Ac C29H32O17 652.163949 NA MeJP NA NA +MJ088659 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galacturonopyranoside] C29H32O17 652.163949 NA MeJP NA NA +MJ088660 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucuronopyranoside] C29H32O17 652.163949 NA MeJP NA NA +MJ088661 Astragalin; 2''-O-(6-O-Acetyl-?-D-glucopyranosyl) C29H32O17 652.163949 NA MeJP NA NA +MJ088662 Ellagic acid; 2,3,8-Tri-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H32O17 652.163949 NA MeJP NA NA +MJ088663 Hyperin; 7-O-?-L-Rhamnopyranoside, 6''-Ac C29H32O17 652.163949 NA MeJP NA NA +MJ088664 Populnin; 3-O-(6-O-Acetyl-?-D-glucopyranoside) C29H32O17 652.163949 NA MeJP NA NA +MJ088665 Quercitrin; 4''-O-(O-Acetyl-?-D-glucopyranosyl) C29H32O17 652.163949 NA MeJP NA NA +MJ088666 Rutin; O''-Ac C29H32O17 652.163949 NA MeJP NA NA +MJ088667 Trifolin; 3''-O-(6-O-Acetyl-?-D-glucopyranosyl) C29H32O17 652.163949 NA MeJP NA NA +MJ088668 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-acetyl-?-D-glucopyranoside) C29H33O17(+) 652.163949 NA MeJP NA NA +PJ012546 GCDDDE C22H32N6O15S 652.1647 NA PeJP NA NA +PJ012547 STCCCH C22H36N8O9S3 652.1768 NA PeJP NA NA +PJ012548 CDDDW C26H32N6O12S 652.1799 NA PeJP NA NA +PJ012549 SSDDDD C22H32N6O17 652.1824 NA PeJP NA NA +PJ012550 SPCCDE C23H36N6O12S2 652.1833 NA PeJP NA NA +PJ012551 PPCCCM C24H40N6O7S4 652.1842 NA PeJP NA NA +PJ012552 GCNNDM C22H36N8O11S2 652.1945 NA PeJP NA NA +MJ088669 Esmeraldine B C38H28N4O7 652.195799 NA MeJP NA NA +C12310 Esmeraldin B C38H28N4O7 652.1958 NA KEGG NA NA +FL3FCKGS0004 Lethedioside B;Tricetin 7,3',4',5'-trimethyl eter 5-xylosyl-(1->6)-glucoside;7-Methoxy-2-(3,4,5-trimethoxyphenyl)-5-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one C30H36O16 652.20033 221289-32-3 knapsack NA NA +FL3FGAGS0005 Nevadensin 7-rutinoside;7-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C30H36O16 652.20033 210837-36-8 knapsack NA NA +FLIA2CGS0004 Cladrastin 7-O-laminaribioside C30H36O16 652.20033 68862-15-7 knapsack NA NA +FLIAEAGS0008 5-Methoxyafrormosin 7-O-laminaribioside C30H36O16 652.20033 68862-18-0 knapsack NA NA +MJ088670 3',4',5,5',7-Pentahydroxyflavone; 3',4',5',7-Tetra-Me ether, 5-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C30H36O16 652.200335 NA MeJP NA NA +MJ088671 3',4',5,5',7-Pentahydroxyflavone; 3',4',5'-Tri-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C30H36O16 652.200335 NA MeJP NA NA +MJ088672 3',4',5,6,7-Pentahydroxyisoflavone; 3',4',6-Tri-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C30H36O16 652.200335 NA MeJP NA NA +MJ088673 3',4',6,7-Tetrahydroxyisoflavone; 3',4',6-Tri-Me ether, O-[?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] C30H36O16 652.200335 NA MeJP NA NA +MJ088674 4',5,6,7,8-Pentahydroxyflavone; 4',6,8-Tri-Me ether, 5-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C30H36O16 652.200335 NA MeJP NA NA +MJ088675 4',5,6,7-Tetrahydroxyisoflavone; 4',5,6-Tri-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-D-glucopyranoside] C30H36O16 652.200335 NA MeJP NA NA +MJ088676 Nyctanthoside; 10-Carboxylic acid, 7-O-(4-methoxy-E-cinnamoyl), 6-Ac, Me ester C30H36O16 652.200335 NA MeJP NA NA +MJ088677 Nyctanthoside; 10-Carboxylic acid, 7-O-(4-methoxy-Z-cinnamoyl), 6-Ac, Me ester C30H36O16 652.200335 NA MeJP NA NA +MJ088678 Sucrose; 3'-O-(3,4-Dimethoxycinnamoyl)(E-), 6-O-(4-hydroxybenzoyl) C30H36O16 652.200335 NA MeJP NA NA +MJ088679 Sucrose; 3'-O-(4-Hydroxy-3,5-dimethoxycinnamoyl)(E-), 6-O-benzoyl C30H36O16 652.200335 NA MeJP NA NA +PJ012553 ASCDEE C23H36N6O14S 652.201 NA PeJP NA NA +PJ012554 GSDDEM C23H36N6O14S 652.2011 NA PeJP NA NA +PJ012555 GPCDMM C24H40N6O9S3 652.2019 NA PeJP NA NA +PJ012556 CCNQW C26H36N8O8S2 652.2098 NA PeJP NA NA +PJ012557 SSCNNE C22H36N8O13S 652.2123 NA PeJP NA NA +PJ012558 SDDMW C27H36N6O11S 652.2163 NA PeJP NA NA +PJ012559 SSSDEE C23H36N6O16 652.2188 NA PeJP NA NA +PJ012560 NEEMM C24H40N6O11S2 652.2197 NA PeJP NA NA +PJ012561 GPCCHH C25H36N10O7S2 652.221 NA PeJP NA NA +PJ012562 GSSCNW C26H36N8O10S 652.2275 NA PeJP NA NA +PJ012563 GSSSSND C22H36N8O15 652.23 NA PeJP NA NA +MJ088680 Bosistoabiflavanone C38H36O10 652.230847 NA MeJP NA NA +PJ012564 CDEMR C23H40N8O10S2 652.2309 NA PeJP NA NA +PJ012565 GSPDDY C27H36N6O13 652.2341 NA PeJP NA NA +PJ012566 GEMMW C28H40N6O8S2 652.2349 NA PeJP NA NA +MJ088681 Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[4-methoxycinnamoyl-(?3)-?-L-rhamnopyranoside] C31H40O15 652.23672 NA MeJP NA NA +MJ088682 Matairesinol, 4'-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C31H40O15 652.23672 NA MeJP NA NA +MJ088683 Pinoresinol, 4-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C31H40O15 652.23672 NA MeJP NA NA +PJ012567 GSTEEM C24H40N6O13S 652.2374 NA PeJP NA NA +PJ012568 GSPMMM C25H44N6O8S3 652.2383 NA PeJP NA NA +PJ012569 NDMHH C25H36N10O9S 652.2388 NA PeJP NA NA +PJ012570 GSCCQR C22H40N10O9S2 652.2421 NA PeJP NA NA +PJ012571 NNNEY C26H36N8O12 652.2453 NA PeJP NA NA +MJ088684 Dimethyl 5-(2,3-dihydro-3,7,8-trimethoxy-4-phenyl-1H-phenalen-6-yl)-2-phenyl-1,8-naphthalenedicarboxylate C42H36O7 652.246103 NA MeJP NA NA +PJ012572 CCNKW C27H40N8O7S2 652.2462 NA PeJP NA NA +PJ012573 SSSNQM C23H40N8O12S 652.2487 NA PeJP NA NA +PJ012574 GDEFW C31H36N6O10 652.2493 NA PeJP NA NA +PJ012575 MMWW C32H40N6O5S2 652.2502 NA PeJP NA NA +MJ088685 1,2,3,4,6,9-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,3,6-tri-Ac C35H40O12 652.251976 NA MeJP NA NA +MJ088686 1,2,3,4,8,9-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,3,8-tri-Ac C35H40O12 652.251976 NA MeJP NA NA +MJ088687 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1-Cinnamoyl, 9-benzoyl, 2,4-di-Ac C35H40O12 652.251976 NA MeJP NA NA +MJ088688 1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,6,8-tri-Ac C35H40O12 652.251976 NA MeJP NA NA +MJ088689 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 2,9-Dibenzoyl, 1,6,14-tri-Ac C35H40O12 652.251976 NA MeJP NA NA +MJ088690 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, Dibenzoyl, tri-Ac C35H40O12 652.251976 NA MeJP NA NA +MJ088691 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,8-Dibenzoyl, 2,9,14-tri-Ac C35H40O12 652.251976 NA MeJP NA NA +MJ088692 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 2,8-Dibenzoyl, 6,9,14-tri-Ac C35H40O12 652.251976 NA MeJP NA NA +MJ088693 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, Dibenzoyl, tri-Ac C35H40O12 652.251976 NA MeJP NA NA +MJ088694 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 6,8,14-tri-Ac C35H40O12 652.251976 NA MeJP NA NA +MJ088695 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 1,6,14-tri-Ac C35H40O12 652.251976 NA MeJP NA NA +MJ088696 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 6,8,14-tri-Ac C35H40O12 652.251976 NA MeJP NA NA +MJ088697 8,10(18),11-Pepluatriene-1,3,5,11,14,15,17-heptol, 3-Benzoyl, 1,5,14,17-tetra-Ac C35H40O12 652.251976 NA MeJP NA NA +MJ088698 Rocaglatic acid; Decarboxy, 3'-(2-O-acetyl-3-O-methyl-?-L-rhamnopyranosyloxy) C35H40O12 652.251976 NA MeJP NA NA +PJ012576 STEMW C28H40N6O10S 652.2527 NA PeJP NA NA +HMDB02242 Dehydroisocoproporphyrinogen C36H36N4O8 652.253296 NA HMDB2010 NA NA +HMDB02242 Dehydroisocoproporphyrinogen C36H36N4O8 652.2533 http://www.hmdb.ca/metabolites/HMDB02242 HMDB NA NA +HMDB02242 Dehydroisocoproporphyrinogen C36H36N4O8 652.2533 HMDB02242 PFEM_hmdb_metabocards_official NA NA +PJ012577 ACHHW C29H36N10O6S 652.254 NA PeJP NA NA +PJ012578 SSTTEE C24H40N6O15 652.2552 NA PeJP NA NA +PJ012579 DKEMM C25H44N6O10S2 652.2561 NA PeJP NA NA +PJ012580 GSSEHH C25H36N10O11 652.2565 NA PeJP NA NA +PJ012581 GGGGGPDH C25H36N10O11 652.2566 NA PeJP NA NA +PJ012582 SSSCNR C22H40N10O11S 652.2599 NA PeJP NA NA +PJ012583 GNNYW C30H36N8O9 652.2605 NA PeJP NA NA +PJ012584 GGGNYW C30H36N8O9 652.2606 NA PeJP NA NA +PJ012585 PCDRY C27H40N8O9S 652.2639 NA PeJP NA NA +PJ012586 DFWW C35H36N6O7 652.2646 NA PeJP NA NA +PJ012587 GSSSSTQ C23H40N8O14 652.2664 NA PeJP NA NA +PJ012588 SEMMR C24H44N8O9S2 652.2673 NA PeJP NA NA +PJ012589 GPMYW C32H40N6O7S 652.2679 NA PeJP NA NA +PJ012590 VNEEY C28H40N6O12 652.2704 NA PeJP NA NA +PJ012591 GGVEEY C28H40N6O12 652.2705 NA PeJP NA NA +PJ012592 SVMMW C29H44N6O7S2 652.2713 NA PeJP NA NA +PJ012593 SSHHW C29H36N10O8 652.2718 NA PeJP NA NA +MJ088699 11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 4?,20-Epoxide, 2,5,7,9,10,13-hexa-Ac C32H44O14 652.273106 NA MeJP NA NA +MJ088700 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,4,7,9,10,13-Hexa-Ac C32H44O14 652.273106 NA MeJP NA NA +MJ088701 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether, 4,4'-di-O-?-L-rhamnopyranoside C32H44O14 652.273106 NA MeJP NA NA +MJ088702 4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 1,2,7,9,10,13-Hexa-Ac C32H44O14 652.273106 NA MeJP NA NA +MJ088703 4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,5,7,9,10,13-Hexa-Ac C32H44O14 652.273106 NA MeJP NA NA +MJ088704 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2,4,7,9,10,13-Hexa-Ac C32H44O14 652.273106 NA MeJP NA NA +MJ088705 Azadirachtin; 11-Deoxy, O1-detigloyl, O3-de-Ac, O3-(2-methylpropanoyl) C32H44O14 652.273106 NA MeJP NA NA +MJ088706 Crocetin, Di-?-D-glucopyranosyl ester C32H44O14 652.273106 NA MeJP NA NA +MJ088707 Crocetin, [?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C32H44O14 652.273106 NA MeJP NA NA +MJ088708 Myricanol; 5-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C32H44O14 652.273106 NA MeJP NA NA +HMDB02353 Dicrocin C32H44O14 652.27313 http://www.hmdb.ca/metabolites/HMDB02353 HMDB NA NA +HMDB02353 Dicrocin C32H44O14 652.27313 HMDB02353 PFEM_hmdb_metabocards_official NA NA +HMDB02353 Dicrocin C32H44O14 652.273132 NA HMDB2010 NA NA +PJ012594 SSSLEM C25H44N6O12S 652.2738 NA PeJP NA NA +PJ012595 LQMMM C26H48N6O7S3 652.2747 NA PeJP NA NA +PJ012596 CNNFR C26H40N10O8S 652.2751 NA PeJP NA NA +PJ012597 GGCNFR C26H40N10O8S 652.2752 NA PeJP NA NA +MJ088709 Curacautine; 10-Demethoxy C38H40N2O8 652.278466 NA MeJP NA NA +MJ088710 Revolutinone C38H40N2O8 652.278466 NA MeJP NA NA +MJ088711 Salutadimerine C38H40N2O8 652.278466 NA MeJP NA NA +MJ088712 Secoobaberine C38H40N2O8 652.278466 NA MeJP NA NA +MJ088713 Thalibrunimine C38H40N2O8 652.278466 NA MeJP NA NA +MJ088714 Thalpindione C38H40N2O8 652.278466 NA MeJP NA NA +PJ012598 GSCCKR C23H44N10O8S2 652.2785 NA PeJP NA NA +PJ012599 GEERY C27H40N8O11 652.2817 NA PeJP NA NA +PJ012600 PCMFR C28H44N8O6S2 652.2826 NA PeJP NA NA +PJ012601 SSSNKM C24H44N8O11S 652.285 NA PeJP NA NA +PJ012602 GGSSSKM C24H44N8O11S 652.2851 NA PeJP NA NA +PJ012603 GVEYW C32H40N6O9 652.2857 NA PeJP NA NA +PJ012604 CLMMR C25H48N8O6S3 652.2859 NA PeJP NA NA +PJ012605 TCHHR C25H40N12O7S 652.2864 NA PeJP NA NA +MJ088715 1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 2-(2-methylbutanoyl), 1-Ac C36H44O11 652.288362 NA MeJP NA NA +MJ088716 Schizantherin I C36H44O11 652.288362 NA MeJP NA NA +PJ012606 PDKMY C29H44N6O9S 652.2891 NA PeJP NA NA +MJ088717 Haplophytine C37H40N4O7 652.289699 NA MeJP NA NA +C09208 Haplophytine C37H40N4O7 652.2897 NA KEGG NA NA +PJ012607 TTTTTE C25H44N6O14 652.2916 NA PeJP NA NA +PJ012608 GTTLMM C26H48N6O9S2 652.2924 NA PeJP NA NA +PJ012609 SNNRY C26H40N10O10 652.2929 NA PeJP NA NA +PJ012610 ERYW C31H40N8O8 652.2969 NA PeJP NA NA +MJ088718 Anhweidelphinine C35H44N2O10 652.299595 NA MeJP NA NA +MJ088719 Nudicauline; O14-De-Ac, O14-ketone, O1-de-Me C35H44N2O10 652.299595 NA MeJP NA NA +C08657 Anhwiedelphinine C35H44N2O10 652.2996 NA KEGG NA NA +PJ012611 SPMRY C28H44N8O8S 652.3003 NA PeJP NA NA +PJ012612 VYWW C36H40N6O6 652.301 NA PeJP NA NA +MJ088720 Callipeltoside C C34H49ClO10 652.301425 NA MeJP NA NA +PJ012613 GSSSSTK C24H44N8O13 652.3028 NA PeJP NA NA +PJ012614 GSCKKM C25H48N8O8S2 652.3037 NA PeJP NA NA +PJ012615 GLMFW C33H44N6O6S 652.3043 NA PeJP NA NA +PJ012616 VDKEY C29H44N6O11 652.3068 NA PeJP NA NA +PJ012617 PKMMF C30H48N6O6S2 652.3077 NA PeJP NA NA +PJ012618 VNHHF C30H40N10O7 652.3082 NA PeJP NA NA +PJ012619 STTTLM C26H48N6O11S 652.3102 NA PeJP NA NA +PJ012620 LKMMM C27H52N6O6S3 652.3111 NA PeJP NA NA +PJ012621 TKMHH C27H44N10O7S 652.3115 NA PeJP NA NA +MJ088721 Calafatine C39H44N2O7 652.314851 NA MeJP NA NA +MJ088722 Hernandezine C39H44N2O7 652.314851 NA MeJP NA NA +MJ088723 Herveline C; O12'-De-Me C39H44N2O7 652.314851 NA MeJP NA NA +MJ088724 Herveline C; O8-De-Me C39H44N2O7 652.314851 NA MeJP NA NA +MJ088725 Thalidasine C39H44N2O7 652.314851 NA MeJP NA NA +MJ088726 Thalifaberine; 3-Demethoxy, O7'-de-Me C39H44N2O7 652.314851 NA MeJP NA NA +MJ088727 Thalifaberine; 3-Demethoxy, O9-de-Me C39H44N2O7 652.314851 NA MeJP NA NA +MJ088728 Thaliracebine C39H44N2O7 652.314851 NA MeJP NA NA +MJ088729 Thalrugosaminine C39H44N2O7 652.314851 NA MeJP NA NA +C09461 Hernandezine C39H44N2O7 652.3149 NA KEGG NA NA +C09656 Thalidasine C39H44N2O7 652.3149 NA KEGG NA NA +PJ012622 SVERY C28H44N8O10 652.3181 NA PeJP NA NA +PJ012623 GHHFR C29H40N12O6 652.3194 NA PeJP NA NA +PJ012624 SSTCKK C25H48N8O10S 652.3214 NA PeJP NA NA +MJ088730 Dichotomin A; 6-L-Alanine analogue C33H44N6O8 652.322062 NA MeJP NA NA +PJ012625 ATLYW C33H44N6O8 652.3221 NA PeJP NA NA +C09101 Gnididilatin C37H48O10 652.3247 NA KEGG NA NA +MJ088731 Gnidilatin C37H48O10 652.324747 NA MeJP NA NA +MJ088732 Kraussianin; 28-Deoxy, 3-debenzoyl, 3-ketone, 18-benzoyloxy C37H48O10 652.324747 NA MeJP NA NA +MJ088733 Kraussianin; 3-Debenzoyloxy, 3-oxo, 28-benzoyl C37H48O10 652.324747 NA MeJP NA NA +MJ088734 Nimbolinin; 12-Ketone(lactone), 7-tigloyl, 1-O-(2-methylpropanoyl), 3-Ac C37H48O10 652.324747 NA MeJP NA NA +PJ012626 LLNMY C30H48N6O8S 652.3254 NA PeJP NA NA +PJ012627 VLQMY C30H48N6O8S 652.3255 NA PeJP NA NA +PJ012628 GSPQKH C27H44N10O9 652.3293 NA PeJP NA NA +MJ088735 Antibiotic PF 1057A C31H56O10S2 652.331489 NA MeJP NA NA +PJ012629 PTLHW C32H44N8O7 652.3333 NA PeJP NA NA +MJ088736 Ansatrienin B; 20,23-Quinone, 19-hydroxy C36H48N2O9 652.335981 NA MeJP NA NA +MJ088737 Ansatrienin B; 20,23-Quinone, 4''-hydroxy C36H48N2O9 652.335981 NA MeJP NA NA +PJ012630 ALMRY C29H48N8O7S 652.3367 NA PeJP NA NA +PJ012631 VNQHR C26H44N12O8 652.3405 NA PeJP NA NA +PJ012632 GGGGLHR C26H44N12O8 652.3406 NA PeJP NA NA +MJ088738 Pentasine C30H49N6O10(+) 652.343191 NA MeJP NA NA +PJ012633 TLKEY C30H48N6O10 652.3432 NA PeJP NA NA +PJ012634 PPHFR C31H44N10O6 652.3446 NA PeJP NA NA +MJ088739 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside] C34H52O12 652.345877 NA MeJP NA NA +PJ012635 PLMHR C28H48N10O6S 652.3479 NA PeJP NA NA +C07919 Metocurine C40H48N2O6 652.3512 NA KEGG NA NA +C07920 Transferred to D00761 C40H48N2O6 652.3512 NA KEGG NA NA +MJ088740 Petuniasterone C; 7,22-Bis-(3-pyridinecarbonyl) C40H48N2O6 652.351237 NA MeJP NA NA +MJ088741 Pisopowiaridine; Tri-Me ether C40H48N2O6 652.351237 NA MeJP NA NA +MJ088742 Capreomycin; Capreomycin IB C25H44N14O7 652.351739 NA MeJP NA NA +PJ012636 GQHRR C25H44N14O7 652.3518 NA PeJP NA NA +PJ012637 TTLRY C29H48N8O9 652.3544 NA PeJP NA NA +PJ012638 GGTKKY C29H48N8O9 652.3545 NA PeJP NA NA +PJ012639 PVKFY C34H48N6O7 652.3585 NA PeJP NA NA +MJ088743 Myrtucommulone D C38H52O9 652.361133 NA MeJP NA NA +PJ012640 VLKMY C31H52N6O7S 652.3618 NA PeJP NA NA +PJ012641 PPPVLM C31H52N6O7S 652.3619 NA PeJP NA NA +MJ088744 5-[4-(2-Benzofuranylmethyl)-2-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperazinyl]-2,3,5-trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-2-(phenylmethyl)-D-erythro-pentonamide C39H48N4O5 652.36247 NA MeJP NA NA +PJ012642 VLEHR C28H48N10O8 652.3657 NA PeJP NA NA +PJ012643 VVLHW C33H48N8O6 652.3697 NA PeJP NA NA +MJ088745 Ansatrienin B; 20-Me ether C37H52N2O8 652.372366 NA MeJP NA NA +PJ012644 CKKKF C30H52N8O6S 652.3731 NA PeJP NA NA +PJ012645 PPQRR C27H48N12O7 652.3769 NA PeJP NA NA +PJ012646 PPVVLE C31H52N6O9 652.3796 NA PeJP NA NA +MJ088746 1,2,3,19,23-Pentahydroxy-12-ursen-28-oic acid, ?-D-Xylopyranosyl ester C35H56O11 652.382262 NA MeJP NA NA +MJ088747 6(17),11-Jatrophadiene-3,5,7,8,9,14,15-heptol, 5,7-Bis(2-methylpropanoyl), 8-(2-methylbutanoyl), 14-Ac C35H56O11 652.382262 NA MeJP NA NA +PJ012647 GKHRR C26H48N14O6 652.3882 NA PeJP NA NA +PJ012648 SKKKY C30H52N8O8 652.3908 NA PeJP NA NA +PJ012649 GAAPPLK C30H52N8O8 652.3909 NA PeJP NA NA +PJ012650 VLKFF C35H52N6O6 652.3949 NA PeJP NA NA +PJ012651 GPPVKR C29H52N10O7 652.4021 NA PeJP NA NA +PJ012652 PPKRR C28H52N12O6 652.4133 NA PeJP NA NA +PJ012653 PPTLLL C32H56N6O8 652.416 NA PeJP NA NA +MJ088748 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Glucopyranoside C36H60O10 652.418648 NA MeJP NA NA +MJ088749 20,24-Epoxycycloartane-3,6,16,25-tetrol, 6-O-?-D-Glucopyranoside C36H60O10 652.418648 NA MeJP NA NA +MJ088750 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Glucopyranoside C36H60O10 652.418648 NA MeJP NA NA +MJ088751 Cumingianoside G; 3-Ketone C36H60O10 652.418648 NA MeJP NA NA +MJ088752 Cycloart-24-ene-1,3,12,16,26-pentol, 26-O-?-D-Glucopyranoside C36H60O10 652.418648 NA MeJP NA NA +MJ088753 Cycloartane-3,6,16,24,25-pentol, 6-Ketone, 3-O-?-D-glucopyranoside C36H60O10 652.418648 NA MeJP NA NA +MJ088754 Dammar-24-ene-3,6,20,21,26-pentol, 3-Ketone, 26-O-?-D-glucopyranoside C36H60O10 652.418648 NA MeJP NA NA +MJ088755 Duamycin C36H60O10 652.418648 NA MeJP NA NA +PJ012654 APPLKK C31H56N8O7 652.4272 NA PeJP NA NA +MJ088756 Acacigenin B C40H60O7 652.433904 NA MeJP NA NA +PJ012655 LKKKH C30H56N10O6 652.4385 NA PeJP NA NA +MJ088757 Sporidesmolides; Sporidesmolide II C34H60N4O8 652.441114 NA MeJP NA NA +MJ088758 Sporidesmolides; Sporidesmolide IV C34H60N4O8 652.441114 NA MeJP NA NA +PJ012656 PVVLLL C33H60N6O7 652.4524 NA PeJP NA NA +MJ088759 Antibiotic WB 3559B C37H68N2O7 652.502652 NA MeJP NA NA +MJ088760 2-Methyl-2-(polyprenylmethyl)-2H-1-benzopyran-6-ol; 2-(Heptaprenylmethyl)-2-methyl-2H-1-benzopyran-6-ol C46H68O2 652.521931 NA MeJP NA NA +MJ088761 20-Hydroxy-4,12,23,27,43-hexatetracontapentaene-1,18,21,45-tetrayn-3-one; 23,24-Dihydro C46H68O2 652.521931 NA MeJP NA NA +MJ088762 20-Hydroxy-4,12,23,27,43-hexatetracontapentaene-1,18,21,45-tetrayn-3-one; 43,44-Dihydro C46H68O2 652.521931 NA MeJP NA NA +MJ088763 4,21,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14-diol, 14-Ketone C46H68O2 652.521931 NA MeJP NA NA +MJ088764 4,21,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14-diol, 17,18-Didehydro(E-) C46H68O2 652.521931 NA MeJP NA NA +MJ088765 Petroformyne 1; 42,43-Dihydro, 44-deoxy, 20-ketone C46H68O2 652.521931 NA MeJP NA NA +MJ088766 Petroformyne 1; 44-Deoxy, ?43-isomer C46H68O2 652.521931 NA MeJP NA NA +MJ088767 Spirost-5-en-3-ol, Hexadecanoyl C43H72O4 652.54306 NA MeJP NA NA +MJ088768 1,3-Didodecanoyl-5-tetradecanoylbenzene C44H76O3 652.579446 NA MeJP NA NA +MJ088769 20(29)-Lupene-3,16-diol, 3-Tetradecanoyl C44H76O3 652.579446 NA MeJP NA NA +MJ088770 20-Taraxastene-3,16-diol, 3-Tetradecanoyl C44H76O3 652.579446 NA MeJP NA NA +HMDB07035 DG(14:0/24:0/0:0) C41H80O5 652.600586 NA HMDB2010 NA NA +HMDB07115 DG(16:0/22:0/0:0) C41H80O5 652.600586 NA HMDB2010 NA NA +HMDB07165 DG(18:0/20:0/0:0) C41H80O5 652.600586 NA HMDB2010 NA NA +HMDB07361 DG(20:0/18:0/0:0) C41H80O5 652.600586 NA HMDB2010 NA NA +HMDB07591 DG(22:0/16:0/0:0) C41H80O5 652.600586 NA HMDB2010 NA NA +HMDB07791 DG(24:0/14:0/0:0) C41H80O5 652.600586 NA HMDB2010 NA NA +HMDB05211 DG(18:0/20:0/0:0)[iso2] C41H80O5 652.60059 http://www.hmdb.ca/metabolites/HMDB05211 HMDB NA NA +HMDB05211 DG(18:0/20:0/0:0)[iso2] C41H80O5 652.60059 HMDB05211 PFEM_hmdb_metabocards_official NA NA +MJ088771 Stigmast-5-en-3-ol, Hexadecanoyl C45H80O2 652.615831 NA MeJP NA NA +HMDB00952 Cholesteryl stearic acid C45H80O2 652.61584 http://www.hmdb.ca/metabolites/HMDB00952 HMDB NA NA +HMDB00952 Cholesteryl stearic acid C45H80O2 652.61584 HMDB00952 PFEM_hmdb_metabocards_official NA NA +HMDB10368 CE(18:0) C45H80O2 652.615845 NA HMDB2010 NA NA +C13863 2,3-Di-O-phytanyl-sn-glycerol C43H88O3 652.6733 NA KEGG NA NA +MJ088772 Archaeol C43H88O3 652.673346 NA MeJP NA NA +PJ012657 PCCCND C22H35N7O10S3 653.1608 NA PeJP NA NA +PJ012658 CCCYY C27H35N5O8S3 653.1648 NA PeJP NA NA +FL7AACGL0043 Cyanidin 3-(6''-acetylglucoside)-5-glucoside C29H33O17 653.17177 133179-76-7 knapsack NA NA +FL7AACGL0117 Cyanidin 3-glucoside-5-(6-acetylglucoside) C29H33O17 653.17177 202661-54-9 knapsack NA NA +FL7AAGGL0045 Delphinidin 3-[6-(2-acetylrhamnosyl)glucoside] C29H33O17 653.17177 247570-51-0 knapsack NA NA +FL7AAGGL0046 Delphinidin 3-[6-(3-acetylrhamnosyl)glucoside] C29H33O17 653.17177 247570-50-9 knapsack NA NA +PJ012659 GCNDDM C22H35N7O12S2 653.1785 NA PeJP NA NA +PJ012660 GGGCDDM C22H35N7O12S2 653.1786 NA PeJP NA NA +FL7ACIGL0002 Hirsutidin 3-O-(6-O-p-coumaroyl)glucoside C33H33O14 653.18703 623571-84-6 knapsack NA NA +PJ012661 SCCNNN C21H35N9O11S2 653.1898 NA PeJP NA NA +PJ012662 CCNEW C26H35N7O9S2 653.1938 NA PeJP NA NA +PJ012663 SSCNDE C22H35N7O14S 653.1963 NA PeJP NA NA +PJ012664 SPCCNM C23H39N7O9S3 653.1972 NA PeJP NA NA +PJ012665 DEEMM C24H39N5O12S2 653.2037 NA PeJP NA NA +PJ012666 GCCWW C30H35N7O6S2 653.209 NA PeJP NA NA +MJ088773 Elsamicin A C33H35NO13 653.21084 NA MeJP NA NA +PJ012667 GSSCDW C26H35N7O11S 653.2116 NA PeJP NA NA +PJ012668 GSSSSDD C22H35N7O16 653.2141 NA PeJP NA NA +PJ012669 GSNDMM C23H39N7O11S2 653.2149 NA PeJP NA NA +PJ012670 DDEEF C27H35N5O14 653.2181 NA PeJP NA NA +MJ088774 ?-Ergocryptine; 2-Bromo C32H40BrN5O5 653.221282 NA MeJP NA NA +C06856 Bromocriptine C32H40BrN5O5 653.2213 NA KEGG NA NA +PJ012671 DDMHH C25H35N9O10S 653.2228 NA PeJP NA NA +PJ012672 GSCCER C22H39N9O10S2 653.2262 NA PeJP NA NA +PJ012673 NNDEY C26H35N7O13 653.2293 NA PeJP NA NA +PJ012674 SCQMW C27H39N7O8S2 653.2302 NA PeJP NA NA +PJ012675 SSSNEM C23H39N7O13S 653.2327 NA PeJP NA NA +PJ012676 NQMMM C24H43N7O8S3 653.2335 NA PeJP NA NA +PJ012677 GGQMMM C24H43N7O8S3 653.2336 NA PeJP NA NA +PJ012678 GSCNHH C24H35N11O9S 653.234 NA PeJP NA NA +PJ012679 PDEMY C28H39N5O11S 653.2367 NA PeJP NA NA +PJ012680 GPNDDH C25H35N9O12 653.2406 NA PeJP NA NA +PJ012681 SCCRW C26H39N9O7S2 653.2414 NA PeJP NA NA +PJ012682 SSSCDR C22H39N9O12S 653.2439 NA PeJP NA NA +PJ012683 GNDYW C30H35N7O10 653.2446 NA PeJP NA NA +PJ012684 CNMMR C23H43N9O7S3 653.2448 NA PeJP NA NA +MJ088775 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl), 9-benzoyl, 2,6,14-tri-Ac C34H39NO12 653.247225 NA MeJP NA NA +MJ088776 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1-benzoyl, 2,6,14-tri-Ac C34H39NO12 653.247225 NA MeJP NA NA +MJ088777 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 9-benzoyl, 2,6,14-tri-Ac C34H39NO12 653.247225 NA MeJP NA NA +PJ012685 GSSSMW C27H39N7O10S 653.2479 NA PeJP NA NA +PJ012686 GSSSSTE C23H39N7O15 653.2504 NA PeJP NA NA +PJ012687 GSTQMM C24H43N7O10S2 653.2513 NA PeJP NA NA +PJ012688 VDEEY C28H39N5O13 653.2545 NA PeJP NA NA +PJ012689 PEMMF C29H43N5O8S2 653.2553 NA PeJP NA NA +PJ012690 LEMMM C26H47N5O8S3 653.2587 NA PeJP NA NA +PJ012691 CNDFR C26H39N9O9S 653.2592 NA PeJP NA NA +PJ012692 GSTCMR C23H43N9O9S2 653.2625 NA PeJP NA NA +PJ012693 GNMFW C31H39N7O7S 653.2632 NA PeJP NA NA +PJ012694 SSSSTW C27H39N7O12 653.2657 NA PeJP NA NA +PJ012695 SCKMW C28H43N7O7S2 653.2666 NA PeJP NA NA +MJ088778 [[4'-[[6-(Benzoylamino)-7-methyl-2-propyl-3H-imidazo[4,5-b]pyridin-3-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]carbamic acid; 3-Methylbutyl ester C36H39N5O5S 653.26719 NA MeJP NA NA +PJ012696 SSSDKM C24H43N7O12S 653.2691 NA PeJP NA NA +PJ012697 PPDYY C32H39N5O10 653.2697 NA PeJP NA NA +PJ012698 NKMMM C25H47N7O7S3 653.2699 NA PeJP NA NA +PJ012699 VEEMF C29H43N5O10S 653.2731 NA PeJP NA NA +PJ012700 SNDRY C26H39N9O11 653.2769 NA PeJP NA NA +PJ012701 VMMHH C27H43N9O6S2 653.2778 NA PeJP NA NA +PJ012702 SHHHH C27H35N13O7 653.2783 NA PeJP NA NA +PJ012703 SSSSMR C23H43N9O11S 653.2803 NA PeJP NA NA +PJ012704 GTQYW C31H39N7O9 653.2809 NA PeJP NA NA +PJ012705 GGATYW C31H39N7O9 653.281 NA PeJP NA NA +C14722 Rifamycin W-hemiacetal C35H43NO11 653.2836 NA KEGG NA NA +MJ088779 Rifamycin Z; 34a-Alcohol C35H43NO11 653.283611 NA MeJP NA NA +PJ012706 VNQMY C28H43N7O9S 653.2843 NA PeJP NA NA +PJ012707 SSSSSSL C24H43N7O14 653.2868 NA PeJP NA NA +PJ012708 GSTKMM C25H47N7O9S2 653.2877 NA PeJP NA NA +PJ012709 NQQQH C25H39N11O10 653.2882 NA PeJP NA NA +PJ012710 PPMFY C33H43N5O7S 653.2883 NA PeJP NA NA +MJ088780 Haplosamate A C29H51NO11S2 653.290352 NA MeJP NA NA +PJ012711 TLEEY C29H43N5O12 653.2908 NA PeJP NA NA +PJ012712 PLMMY C30H47N5O7S2 653.2917 NA PeJP NA NA +PJ012713 SPQHW C30H39N9O8 653.2922 NA PeJP NA NA +2867 NA YPFVE 653.293 antibacterial Inhouse_peptide NA peptide +PJ012714 GQMRY C27H43N9O8S 653.2955 NA PeJP NA NA +PJ012715 GGAMRY C27H43N9O8S 653.2956 NA PeJP NA NA +PJ012716 GHFFF C35H39N7O6 653.2962 NA PeJP NA NA +PJ012717 NNNHR C24H39N13O9 653.2994 NA PeJP NA NA +PJ012718 ACKFW C32H43N7O6S 653.2996 NA PeJP NA NA +PJ012719 SQKEY C28H43N7O11 653.3021 NA PeJP NA NA +PJ012720 SSTTKM C25H47N7O11S 653.3054 NA PeJP NA NA +PJ012721 PVEFY C33H43N5O9 653.3061 NA PeJP NA NA +PJ012722 GCRRY C26H43N11O7S 653.3068 NA PeJP NA NA +PJ012723 VLEMY C30H47N5O9S 653.3095 NA PeJP NA NA +PJ012724 STQRY C27H43N9O10 653.3133 NA PeJP NA NA +PJ012725 GTKYW C32H43N7O8 653.3173 NA PeJP NA NA +PJ012726 GGGGLFF C32H43N7O8 653.3174 NA PeJP NA NA +MJ088781 Protostreptovaricin I; 14?-Hydroxy C36H47NO10 653.319996 NA MeJP NA NA +PJ012727 VNKMY C29H47N7O8S 653.3207 NA PeJP NA NA +C15661 A 80987 C37H43N5O6 653.3213 NA KEGG NA NA +PJ012728 PPFFF C37H43N5O6 653.3214 NA PeJP NA NA +PJ012729 LNDHR C26H43N11O9 653.3245 NA PeJP NA NA +PJ012730 VNEHR C26H43N11O9 653.3246 NA PeJP NA NA +PJ012731 PLMFF C34H47N5O6S 653.3247 NA PeJP NA NA +PJ012732 LLMMF C31H51N5O6S2 653.3281 NA PeJP NA NA +PJ012733 SPKHW C31H43N9O7 653.3286 NA PeJP NA NA +PJ012734 GKMRY C28H47N9O7S 653.3319 NA PeJP NA NA +PJ012735 GPPPMR C28H47N9O7S 653.332 NA PeJP NA NA +PJ012736 GEHRR C25H43N13O8 653.3358 NA PeJP NA NA +3686 Neokyotorphin TSKYR 653.337 ACE inhibitor Inhouse_peptide NA peptide +8192 Antibacterial peptide TSKYR 653.337 NA ;SYN:Argininosuccinate; Argininosuccinic acid; Arginosuccinate; Arginosuccinic acid; L-Argininosuccinate; L-Argininosuccinic acid; L-Arginosuccinate; L-Arginosuccinic acid; N-(((4-amino-4-carboxybutyl)amino)iminomethyl)-L-Aspartate; N-(((4-amino-4-carboxybutyl)amino)iminomethyl)-L-Aspartic acid; N-[(4-amino-4-carboxybutyl)amidino]-L-Aspartate; N-[(4-amino-4-carboxybutyl)amidino]-L-Aspartic acid; N-[[(4-amino-4-carboxybutyl)amino]iminomethyl]-L-Aspartate; N-[[(4-amino-4-carboxybutyl)amino]iminomethyl]-L-Aspartic acid; 2-(N(omega)-L-arginino)succinate; 2-(N(omega)-L-arginino)succinic acid; N-(L-arginino) succinate; N-(L-arginino) succinic acid; 2-(Nw-L-arginino)butanedioic acid; 2-(N(omega)-L-arginine)succinate; 2-(N(omega)-L-arginine)succinic acid; N-(L-Arginino)succinate; N-(L-Arginino)succinic acid; ASA; N(omega)-(L-arginino)succinate; N(omega)-(L-arginino)succinic acid; 2-(Nw-L-arginino)butanedioateH2Blood; Urine Inhouse_peptide NA peptide +PJ012737 SKKEY C29H47N7O10 653.3385 NA PeJP NA NA +PJ012738 GVHRW C30H43N11O6 653.3398 NA PeJP NA NA +PJ012739 PVLYY C34H47N5O8 653.3425 NA PeJP NA NA +MJ088782 Neokyotorphin C28H47N9O9 653.349674 NA MeJP NA NA +PJ012740 STKRY C28H47N9O9 653.3497 NA PeJP NA NA +PJ012741 HRRW C29H43N13O5 653.351 NA PeJP NA NA +3970 ACE inhibitor (fragment of a-lactalbumin: 104-108) WLAHK 653.352 ACE inhibitor Inhouse_peptide NA peptide +PJ012742 AAPPLW C33H47N7O7 653.3537 NA PeJP NA NA +MJ088783 4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-(3-Dimethylamino-3-phenylpropanoyl)(R-), 9,10,13-tri-Ac C37H51NO9 653.356382 NA MeJP NA NA +PJ012743 CLKKY C30H51N7O7S 653.3571 NA PeJP NA NA +PJ012744 PPERR C27H47N11O8 653.3609 NA PeJP NA NA +3566 NA EPKAIP 653.361 ACE inhibitor Inhouse_peptide NA peptide +MJ088784 Bdelloura candida Neuropeptide 1 C32H47N9O6 653.36493 NA MeJP NA NA +PJ012745 PPVRW C32H47N9O6 653.365 NA PeJP NA NA +PJ012746 SVHRR C26H47N13O7 653.3722 NA PeJP NA NA +PJ012747 SPPILQ C30H51N7O9 653.3748 NA PeJP NA NA +PJ012748 APPLKE C30H51N7O9 653.3749 NA PeJP NA NA +PJ012749 VLLFY C35H51N5O7 653.3789 NA PeJP NA NA +PJ012750 APPTLR C29H51N9O8 653.3861 NA PeJP NA NA +PJ012751 TLKHR C28H51N11O7 653.3973 NA PeJP NA NA +PJ012752 SPPLLK C31H55N7O8 653.4112 NA PeJP NA NA +PJ012753 GGPVVLL C31H55N7O8 653.4113 NA PeJP NA NA +PJ012754 GPVLLR C30H55N9O7 653.4225 NA PeJP NA NA +C15757 Enniatin B4 C34H59N3O9 653.4251 NA KEGG NA NA +MJ088785 Enniatin B1 C34H59N3O9 653.42513 NA MeJP NA NA +MJ088786 Enniatin D C34H59N3O9 653.42513 NA MeJP NA NA +MJ088787 Pimaydolide C34H59N3O9 653.42513 NA MeJP NA NA +PJ012755 PLLRR C29H55N11O6 653.4337 NA PeJP NA NA +PJ012756 APLLLK C32H59N7O7 653.4476 NA PeJP NA NA +MJ088788 Dragonamide C37H59N5O5 653.45162 NA MeJP NA NA +EUR802 Lyso PC 24:0 [M+FA-H]- C32H66NO7P 653.462572 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR802 Lyso PC 24:0 [M+FA-H]- C32H66NO7P 653.462572 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR802 Lyso PC 24:0 [M+FA-H]- C32H66NO7P 653.462572 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR802 Lyso PC 24:0 [M+FA-H]- C32H66NO7P 653.462572 masses lipides attendues Inhousejuil11 NA NA +MJ088789 2,2',3,4,5-Pentabromo-6-hydroxydiphenyl ether; 4'-Bromo C12H4Br6O2 653.531155 NA MeJP NA NA +MJ088790 1,11,19,27,35-Pentaamino-3-tetracontanol C40H87N5O 653.691062 NA MeJP NA NA +MetaCyc04012 phytate [phytic acid;myo-inositol hexakisphosphate;1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate;D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate;myo-Inositol 1,2,3,4,5,6-hexakisphosphate;Inositol 1,2,3,4,5,6-hexakisphosphate;InsP6;] C6H12O24P6 653.81442 NA metacyc NA NA +3136 ester transferases inhibitor VTWRMWYVPA 653.8172 MH2+ Inhouse_peptide NA peptide +2973 LVV-hemorphin-7 LVVYPWTQRF 653.844 MH2+ Inhouse_peptide NA peptide +MJ088791 Beticolin 2; 16'-Hydroxy C31H23ClO14 654.077633 NA MeJP NA NA +MJ088792 Beticolin 2; 2-Epimer, 16'-hydroxy C31H23ClO14 654.077633 NA MeJP NA NA +MJ088793 Cebetin A; 16'-Hydroxy C31H23ClO14 654.077633 NA MeJP NA NA +MJ088794 Pentafuhalol A C30H22O17 654.085699 NA MeJP NA NA +MJ088795 Pentafuhalol B C30H22O17 654.085699 NA MeJP NA NA +MJ088796 Pseudopentafuhalol A C30H22O17 654.085699 NA MeJP NA NA +MJ088797 Pseudopentafuhalol B C30H22O17 654.085699 NA MeJP NA NA +MJ088798 Pseudopentafuhalol C C30H22O17 654.085699 NA MeJP NA NA +MJ088799 Pseudopentafuhalol D C30H22O17 654.085699 NA MeJP NA NA +FL3FAGGS0004 Tricetin 7,3'-diglucuronide C27H26O19 654.10682 107721-49-3 knapsack NA NA +FL3FFCGS0007 8-Hydroxyluteolin 8,4'-diglucuronide C27H26O19 654.10682 56317-10-3 knapsack NA NA +FL5FACGS0037 Quercetin 3,7-diglucuronide C27H26O19 654.10682 31564-38-2 knapsack NA NA +MJ088800 3',4',5,5',7-Pentahydroxyflavone; 3',7-Di-O-?-D-glucuronopyranoside C27H26O19 654.106828 NA MeJP NA NA +MJ088801 3',4',5,7,8-Pentahydroxyflavone; 4',8-Di-O-?-D-glucuronopyranoside C27H26O19 654.106828 NA MeJP NA NA +MJ088802 3,3',4',5,7-Pentahydroxyflavone; 3,7-Di-O-?-D-glucuronopyranoside C27H26O19 654.106828 NA MeJP NA NA +MJ088803 3,3',4',5,7-Pentahydroxyflavone; 3-O-[3-Hydroxy-4-methoxycinnamoyl-(??)-?-D-glucuronopyranoside] C31H26O16 654.122084 NA MeJP NA NA +PJ012757 SCCCCH C21H34N8O8S4 654.1383 NA PeJP NA NA +FL5FAEGS0003 Tamarixetin 5-glucoside-7-glucuronide C28H30O18 654.14321 112368-24-8 knapsack NA NA +MJ088804 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 7-O-?-D-Glucuronopyranoside, 5-O-?-D-glucopyranoside C28H30O18 654.143214 NA MeJP NA NA +MJ088805 Ellagic acid; 2,7-Di-Me ether, 3,8-di-O-?-D-glucopyranoside C28H30O18 654.143214 NA MeJP NA NA +MJ088806 Ellagic acid; 3,8-Di-Me ether, 2-O-[?-D-galactopyranosyl-(1?4)-?-D-glucopyranoside] C28H30O18 654.143214 NA MeJP NA NA +PJ012758 PCCCDD C22H34N6O11S3 654.1448 NA PeJP NA NA +MJ088807 2',3,3',4,4'-Pentahydroxychalcone, 4'-O-[3,4-Dihydroxycinnamoyl-(?2)-4-O-acetyl-?-D-glucopyranoside] C32H30O15 654.15847 NA MeJP NA NA +MJ088808 3',5,7-Trihydroxy-4',6-dimethoxyflavone; 7-O-[6-[3-3,4-Dihydroxycinnamoyl(E)-]-?-D-glucopyranoside] C32H30O15 654.15847 NA MeJP NA NA +MJ088809 3,4',5,7,8-Pentahydroxyflavone; 7-Me ether, 3-O-[(4-hydroxy-3-methoxy-E-cinnamoyl)-(?2)-?-D-glucopyranoside] C32H30O15 654.15847 NA MeJP NA NA +MJ088810 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside] C32H30O15 654.15847 NA MeJP NA NA +MJ088811 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(1??)-?-D-glucopyranoside] C32H31O15(+) 654.15847 NA MeJP NA NA +FL1C3CGS0022 Okanin 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside);3,4,2',3',4'-Pentahydroxychalcone 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside) C32H30O15 654.15847 142628-30-6 knapsack NA NA +FL5FFAGS0028 Herbacetin 7-methyl ether 3-(2''-(E)-feruloylglucoside);5,8-Dihydroxy-3-[[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C32H30O15 654.15847 190328-85-9 knapsack NA NA +C14863 2-(S-Glutathionyl)acetyl glutathione C22H34N6O13S2 654.1625 NA KEGG NA NA +PJ012759 GCDDDM C22H34N6O13S2 654.1626 NA PeJP NA NA +MJ088812 Oxanthromicin C36H30O12 654.173726 NA MeJP NA NA +PJ012760 SCCNND C21H34N8O12S2 654.1738 NA PeJP NA NA +PJ012761 CCDEW C26H34N6O10S2 654.1778 NA PeJP NA NA +FL3FAICS0005 6,8-Di-C-glucopyranosyltricin C29H34O17 654.17959 79504-25-9 knapsack NA NA +FL3FAIDS0001 Isopyrenin 7-O-glucoside C29H34O17 654.17959 61252-86-6 knapsack NA NA +FL3FAIGS0009 Tricin 5,7-diglucoside C29H34O17 654.17959 74336-88-2 knapsack NA NA +FL3FEGGS0003 6-Hydroxytricetin 6,3',5'-trimethyl eter 7-alpha-L-arabinosyl-(1->6)-glucoside;7-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one C29H34O17 654.17959 221269-70-1 knapsack NA NA +FL5FAFGL0003 Dillenetin 3,7-diglucoside;Quercetin 3',4'-dimethyl ether 3,7-diglucoside;2-(3,4-Dimethoxyphenyl)-3,7-bis(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one C29H34O17 654.17959 141852-52-0 knapsack NA NA +FL5FAIGL0002 Syringetin 3-rutinoside C29H34O17 654.17959 53430-50-5 knapsack NA NA +FL5FAIGS0005 Syringetin 3-robinobioside;Myricetin 3',5'-dimethyl ether 3-robinobioside;3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one C29H34O17 654.17959 220504-94-9 knapsack NA NA +FL5FCDGA0002 Rhamnazin 3-galactoside-4'-glucoside C29H34O17 654.17959 106009-50-1 knapsack NA NA +FL5FFCGL0012 Limocitrin 3-rutinoside C29H34O17 654.17959 79384-27-3 knapsack NA NA +FL5FFCGS0018 Limocitrin 7-neohesperidoside C29H34O17 654.17959 97744-91-7 knapsack NA NA +FLIAECGS0005 Iristectorigenin A 7-O-gentiobioside C29H34O17 654.17959 86849-71-0 knapsack NA NA +MJ088813 3',4',5,5',6,7-Hexahydroxyflavone; 3',5',6-Tri-Me ether, 7-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O17 654.179599 NA MeJP NA NA +MJ088814 3',4',5,6,7-Pentahydroxyisoflavone; 4',6-Di-Me ether, 7-O-gentiobioside C29H34O17 654.179599 NA MeJP NA NA +MJ088815 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C29H34O17 654.179599 NA MeJP NA NA +MJ088816 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O17 654.179599 NA MeJP NA NA +MJ088817 3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O17 654.179599 NA MeJP NA NA +MJ088818 3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O17 654.179599 NA MeJP NA NA +MJ088819 3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C29H34O17 654.179599 NA MeJP NA NA +MJ088820 3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3,4'-Di-O-?-D-glucopyranoside C29H34O17 654.179599 NA MeJP NA NA +MJ088821 3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-?-D-Galactopyranoside, 4'-O-?-D-glucopyranoside C29H34O17 654.179599 NA MeJP NA NA +MJ088822 3,4',5-Trihydroxy-6,7-dimethoxyflavone; 3-O-(Glucosylgalactoside) C29H34O17 654.179599 NA MeJP NA NA +MJ088823 3,4',5-Trihydroxy-6,7-dimethoxyflavone; 3-O-Diglucoside C29H34O17 654.179599 NA MeJP NA NA +MJ088824 3,4',5-Trihydroxy-6,7-dimethoxyflavone; 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside] C29H34O17 654.179599 NA MeJP NA NA +MJ088825 3,5,7-Trihydroxy-3',4'-dimethoxyflavone; 3,7-Di-O-?-D-glucopyranoside C29H34O17 654.179599 NA MeJP NA NA +MJ088826 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 4',7-Di-O-?-D-glucopyranoside C29H34O17 654.179599 NA MeJP NA NA +MJ088827 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 5,7-Di-O-?-D-glucopyranoside C29H34O17 654.179599 NA MeJP NA NA +MJ088828 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 5-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C29H34O17 654.179599 NA MeJP NA NA +MJ088829 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C29H34O17 654.179599 NA MeJP NA NA +MJ088830 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[D-Fructosyl-(1??)-D-glucopyranoside] C29H34O17 654.179599 NA MeJP NA NA +MJ088831 6,8-Diglucopyranosyl-3',4',5,5',7-pentahydroxyflavone; 3',5'-Di-Me ether C29H34O17 654.179599 NA MeJP NA NA +MJ088832 Isoaffinetin; 3',5'-Di-Me ether, 7-O-?-D-glucopyranoside C29H34O17 654.179599 NA MeJP NA NA +MJ088833 Rutin; 7-O-(2-Hydroxyethyl) C29H34O17 654.179599 NA MeJP NA NA +MJ088834 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3,5-Di-O-?-D-glucopyranoside C29H35O17(+) 654.179599 NA MeJP NA NA +MJ088835 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3,7-Di-O-?-D-glucopyranoside C29H35O17(+) 654.179599 NA MeJP NA NA +MJ088836 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C29H35O17(+) 654.179599 NA MeJP NA NA +MJ088837 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C29H35O17(+) 654.179599 NA MeJP NA NA +PJ012762 SSCDDE C22H34N6O15S 654.1803 NA PeJP NA NA +PJ012763 SPCCDM C23H38N6O10S3 654.1812 NA PeJP NA NA +MJ088838 Terephtyl C32H30N8O4S2 654.183142 NA MeJP NA NA +PJ012764 GCCNQM C22H38N8O9S3 654.1924 NA PeJP NA NA +MJ088839 Haedoxan A C33H34O14 654.194855 NA MeJP NA NA +PJ012765 GSDDMM C23H38N6O12S2 654.1989 NA PeJP NA NA +PJ012766 APCCMM C24H42N6O7S4 654.1998 NA PeJP NA NA +PARAC016 Paracetamol glucuronide C15H17O8 654.2028 RT4.2 PFEM_hmdb_metabocards_urine NA urine +PARAC016 Paracetamol glucuronide C15H17O8 654.2028 RT4.2 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC016 Paracetamol glucuronide C15H17O8 654.2028 RT4.2 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC016 Paracetamol glucuronide C15H17O8 654.2028 RT4.2 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC016 Paracétamol glucuronide C15H17O8 654.2028 RT4.2 HMDB NA NA +PARAC016 Paracetamol glucuronide C15H17O8 654.2028 RT4.2 Inhouse_PFEM NA NA +PARAC016 Paracetamol glucuronide C15H17O8 654.2028 RT4.2 PFEM_hmdb_metabocards_blood NA blood +PARAC016 Paracetamol glucuronide C15H17O8 654.2028 RT4.2 PFEM_hmdb_metabocards_official NA NA +PJ012767 GCCCNR C21H38N10O8S3 654.2037 NA PeJP NA NA +MJ088840 Phleichrome; 14,21-Diepimer, 14-O-benzoyl C37H34O11 654.210111 NA MeJP NA NA +PJ012768 SSCNNM C22H38N8O11S2 654.2102 NA PeJP NA NA +MJ088841 Nikkomycin JH C26H34N6O14 654.213299 NA MeJP NA NA +PJ012769 NDDEY C26H34N6O14 654.2133 NA PeJP NA NA +PJ012770 SCEMW C27H38N6O9S2 654.2142 NA PeJP NA NA +MJ088842 1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 2-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C30H38O16 654.215985 NA MeJP NA NA +MJ088843 Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[3,4-dihydroxycinnamoyl-(?3)-?-L-rhamnopyranoside] C30H38O16 654.215985 NA MeJP NA NA +MJ088844 Betonyoside B C30H38O16 654.215985 NA MeJP NA NA +MJ088845 Campneoside I C30H38O16 654.215985 NA MeJP NA NA +MJ088846 Catalpol; 10-O-(4-Hydroxy-E-cinnamoyl), 6-O-?-L-rhamnopyranoside C30H38O16 654.215985 NA MeJP NA NA +MJ088847 Catalpol; 6'-O-?-D-Glucopyranosyl, 10-O-E-cinnamoyl C30H38O16 654.215985 NA MeJP NA NA +MJ088848 Catalpol; 6-O-[4-Hydroxycinnamoyl-(?2)-?-L-rhamnopyranoside] C30H38O16 654.215985 NA MeJP NA NA +MJ088849 Crenulatin C30H38O16 654.215985 NA MeJP NA NA +MJ088850 Dermochrysonol; 2'-Ketone, 8-O[-?-D-glucopyranosyl(1?6)-?-D-glucopyranoside] C30H38O16 654.215985 NA MeJP NA NA +MJ088851 Monomelittoside; 5-O-?-D-Glucopyranoside, 10-O-cinnamoyl (E-) C30H38O16 654.215985 NA MeJP NA NA +PJ012771 SSSDEM C23H38N6O14S 654.2167 NA PeJP NA NA +PJ012772 NEMMM C24H42N6O9S3 654.2176 NA PeJP NA NA +PJ012773 GSCDHH C24H34N10O10S 654.218 NA PeJP NA NA +MJ088852 Citbismine A; N10'-Me C36H34N2O10 654.221345 NA MeJP NA NA +MJ088853 Citbismine B; 6-Deoxy, O5-de-Me, N10'-Me C36H34N2O10 654.221345 NA MeJP NA NA +PJ012774 GPDDDH C25H34N8O13 654.2246 NA PeJP NA NA +PJ012775 GSSSSCQ C22H38N8O13S 654.2279 NA PeJP NA NA +PJ012776 GDDYW C30H34N6O11 654.2286 NA PeJP NA NA +PJ012777 CDMMR C23H42N8O8S3 654.2288 NA PeJP NA NA +PJ012778 PCCFW C31H38N6O6S2 654.2294 NA PeJP NA NA +PJ012779 NDEMF C27H38N6O11S 654.2319 NA PeJP NA NA +PJ012780 GSPCEY C27H38N6O11S 654.232 NA PeJP NA NA +PJ012781 GMMMW C28H42N6O6S3 654.2328 NA PeJP NA NA +PJ012782 GSTEMM C24H42N6O11S2 654.2353 NA PeJP NA NA +PJ012783 CQMHH C25H38N10O7S2 654.2367 NA PeJP NA NA +PJ012784 NNNMY C26H38N8O10S 654.2432 NA PeJP NA NA +PJ012785 SSSSSSN C22H38N8O15 654.2457 NA PeJP NA NA +MJ088854 12-Hydroxydaphnetoxin; 12?-form, 12-(5-Phenyl-2E,4E-pentadienoyl) C38H38O10 654.246497 NA MeJP NA NA +MJ088855 Grecomycin C38H38O10 654.246497 NA MeJP NA NA +C09134 Mezerein C38H38O10 654.2465 NA KEGG NA NA +PJ012786 SSCCQK C23H42N8O10S2 654.2466 NA PeJP NA NA +PJ012787 SPCYW C31H38N6O8S 654.2472 NA PeJP NA NA +PJ012788 CCHHR C24H38N12O6S2 654.2479 NA PeJP NA NA +PJ012789 SQEEY C27H38N6O13 654.2497 NA PeJP NA NA +PJ012790 STMMW C28H42N6O8S2 654.2506 NA PeJP NA NA +MJ088856 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 4'-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C31H42O15 654.25237 NA MeJP NA NA +MJ088857 4,4',5,7-Tetrahydroxy-6,8-dimethylflavan; 4,4'-Di-Me ether, 5,7-di-O-?-D-glucopyranoside C31H42O15 654.25237 NA MeJP NA NA +FL64DBGM0001 Eruberin C C31H42O15 654.25237 90146-70-6 knapsack NA NA +PJ012791 SSTTEM C24H42N6O13S 654.2531 NA PeJP NA NA +PJ012792 DKMMM C25H46N6O8S3 654.2539 NA PeJP NA NA +PJ012793 GSVMMM C25H46N6O8S3 654.254 NA PeJP NA NA +PJ012794 GSSMHH C25H38N10O9S 654.2544 NA PeJP NA NA +PJ012795 SDDRY C26H38N8O12 654.2609 NA PeJP NA NA +PJ012796 GGGGGSTY C26H38N8O12 654.261 NA PeJP NA NA +PJ012797 APPCMH C27H42N8O7S2 654.2618 NA PeJP NA NA +PJ012798 GSSSSCK C23H42N8O12S 654.2643 NA PeJP NA NA +PJ012799 GTEYW C31H38N6O10 654.265 NA PeJP NA NA +PJ012800 SMMMR C24H46N8O7S3 654.2652 NA PeJP NA NA +MJ088858 Agrimols; Agrimol D C35H42O12 654.267626 NA MeJP NA NA +MJ088859 Filixic acids; Filixic acid PBB C35H42O12 654.267626 NA MeJP NA NA +MJ088860 Karajinone B; 15-Ac C35H42O12 654.267626 NA MeJP NA NA +MJ088861 Perdeacyldecipinone; 5-Benzoyl, 3,7,13,15-tetra-Ac C35H42O12 654.267626 NA MeJP NA NA +MJ088862 Perdeacyldecipinone; 5-Benzoyl, 3,7,13,17-tetra-Ac C35H42O12 654.267626 NA MeJP NA NA +MJ088863 Trisdesaspidins; Trisdesaspidin BBB C35H42O12 654.267626 NA MeJP NA NA +MJ088864 Trisflavaspidic acid C35H42O12 654.267626 NA MeJP NA NA +PJ012801 VNEMY C28H42N6O10S 654.2683 NA PeJP NA NA +MJ088865 Coproporphyrin I C36H38N4O8 654.268964 NA MeJP NA NA +MetaCyc04013 coproporphyrin I [] C36H38N4O8 654.268964 531-14-6 metacyc NA NA +MetaCyc04014 coproporphyrin III [] C36H38N4O8 654.268964 14643-66-4 metacyc NA NA +HMDB00643 Coproporphyrin I C36H38N4O8 654.26898 http://www.hmdb.ca/metabolites/HMDB00643 PFEM_hmdb_metabocards_urine NA urine +HMDB00570 Coproporphyrin III C36H38N4O8 654.26898 http://www.hmdb.ca/metabolites/HMDB00570 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00643 Coproporphyrin I C36H38N4O8 654.26898 http://www.hmdb.ca/metabolites/HMDB00643 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00643 Coproporphyrin I C36H38N4O8 654.26898 http://www.hmdb.ca/metabolites/HMDB00643 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00643 Coproporphyrin I C36H38N4O8 654.26898 http://www.hmdb.ca/metabolites/HMDB00643 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00570 Coproporphyrin III C36H38N4O8 654.26898 http://www.hmdb.ca/metabolites/HMDB00570 HMDB NA NA +HMDB00611 Coproporphyrin II C36H38N4O8 654.26898 http://www.hmdb.ca/metabolites/HMDB00611 HMDB NA NA +HMDB00643 Coproporphyrin I C36H38N4O8 654.26898 http://www.hmdb.ca/metabolites/HMDB00643 HMDB NA NA +HMDB00644 Coproporphyrin IV C36H38N4O8 654.26898 http://www.hmdb.ca/metabolites/HMDB00644 HMDB NA NA +HMDB00697 Isocoproporphyrin C36H38N4O8 654.26898 http://www.hmdb.ca/metabolites/HMDB00697 HMDB NA NA +HMDB00890 Uroporphyrin IV C36H38N4O8 654.26898 http://www.hmdb.ca/metabolites/HMDB00890 HMDB NA NA +HMDB00570 Coproporphyrin III C36H38N4O8 654.26898 http://www.hmdb.ca/metabolites/HMDB00570 PFEM_hmdb_metabocards_blood NA blood +HMDB00643 Coproporphyrin I C36H38N4O8 654.26898 http://www.hmdb.ca/metabolites/HMDB00643 PFEM_hmdb_metabocards_blood NA blood +HMDB00570 Coproporphyrin III C36H38N4O8 654.26898 HMDB00570 PFEM_hmdb_metabocards_official NA NA +HMDB00611 Coproporphyrin II C36H38N4O8 654.26898 HMDB00611 PFEM_hmdb_metabocards_official NA NA +HMDB00643 Coproporphyrin I C36H38N4O8 654.26898 HMDB00643 PFEM_hmdb_metabocards_official NA NA +HMDB00644 Coproporphyrin IV C36H38N4O8 654.26898 HMDB00644 PFEM_hmdb_metabocards_official NA NA +HMDB00697 Isocoproporphyrin C36H38N4O8 654.26898 HMDB00697 PFEM_hmdb_metabocards_official NA NA +HMDB00890 Uroporphyrin IV C36H38N4O8 654.26898 HMDB00890 PFEM_hmdb_metabocards_official NA NA +HMDB00570 Coproporphyrin III C36H38N4O8 654.268982 NA HMDB2010 NA NA +HMDB00611 Coproporphyrin II C36H38N4O8 654.268982 NA HMDB2010 NA NA +HMDB00643 Coproporphyrin I C36H38N4O8 654.268982 NA HMDB2010 NA NA +HMDB00644 Coproporphyrin IV C36H38N4O8 654.268982 NA HMDB2010 NA NA +HMDB00697 Isocoproporphyrin C36H38N4O8 654.268982 NA HMDB2010 NA NA +C05769 Coproporphyrin I C36H38N4O8 654.269 NA KEGG NA NA +C05770 Coproporphyrin III C36H38N4O8 654.269 NA KEGG NA NA +PJ012802 FYYY C36H38N4O8 654.269 NA PeJP NA NA +MJ088866 Cryptophycin 18; 7?,8?-Epoxide C35H43ClN2O8 654.270794 NA MeJP NA NA +MJ088867 Cryptophycin 4; 6'-Chloro, 7R*,8R*-epoxide C35H43ClN2O8 654.270794 NA MeJP NA NA +PJ012803 SSSLMM C25H46N6O10S2 654.2717 NA PeJP NA NA +PJ012804 SSSTHH C25H38N10O11 654.2722 NA PeJP NA NA +PJ012805 CKMHH C26H42N10O6S2 654.273 NA PeJP NA NA +PJ012806 SPEHW C30H38N8O9 654.2762 NA PeJP NA NA +PJ012807 GEMRY C27H42N8O9S 654.2796 NA PeJP NA NA +PJ012808 TYWW C35H38N6O7 654.2802 NA PeJP NA NA +PJ012809 SSCCKK C24H46N8O9S2 654.2829 NA PeJP NA NA +PJ012810 NNDHR C24H38N12O10 654.2834 NA PeJP NA NA +PJ012811 GVMYW C32H42N6O7S 654.2836 NA PeJP NA NA +PJ012812 SKEEY C28H42N6O12 654.2861 NA PeJP NA NA +PJ012813 VQMMF C29H46N6O7S2 654.287 NA PeJP NA NA +PJ012814 GQQHW C29H38N10O8 654.2874 NA PeJP NA NA +PJ012815 GGGAAHW C29H38N10O8 654.2875 NA PeJP NA NA +MJ088868 Secoisolariciresinol, 4,4'-Di-O-?-L-rhamnopyranoside C32H46O14 654.288756 NA MeJP NA NA +PJ012816 TTTTTM C25H46N6O12S 654.2895 NA PeJP NA NA +PJ012817 PDMHR C26H42N10O8S 654.2908 NA PeJP NA NA +MJ088869 Fastrine C38H42N2O8 654.294116 NA MeJP NA NA +MJ088870 Thalibrunine; 2'-N-De-Me C38H42N2O8 654.294116 NA MeJP NA NA +MJ088871 Thalifaberine; O3,O6',O9-Tri-de-Me C38H42N2O8 654.294116 NA MeJP NA NA +MJ088872 Thalisopine; N2'-Oxide (?) C38H42N2O8 654.294116 NA MeJP NA NA +PJ012818 MRYW C31H42N8O6S 654.2948 NA PeJP NA NA +PJ012819 STERY C27H42N8O11 654.2973 NA PeJP NA NA +PJ012820 GGGAAPPE C27H42N8O11 654.2974 NA PeJP NA NA +PJ012821 AMMFR C28H46N8O6S2 654.2982 NA PeJP NA NA +PJ012822 PQHHH C28H38N12O7 654.2987 NA PeJP NA NA +PJ012823 SSLYW C32H42N6O9 654.3013 NA PeJP NA NA +MJ088873 Stellarin C C32H42N6O9 654.301326 NA MeJP NA NA +PJ012824 GGPVYY C32H42N6O9 654.3014 NA PeJP NA NA +MJ088874 Euphorrepinol; 15-Benzoyl, 7-tigloyl, 3,5-di-Ac C36H46O11 654.304012 NA MeJP NA NA +MJ088875 Neobonaspectin A C36H46O11 654.304012 NA MeJP NA NA +MJ088876 Ohchinolal; 3-Ac C36H46O11 654.304012 NA MeJP NA NA +MJ088877 Aeruginosin 98A; 3'-Dechloro C29H46N6O9S 654.304697 NA MeJP NA NA +PJ012825 VDKMY C29H46N6O9S 654.3047 NA PeJP NA NA +MJ088878 Cimiciphytine C37H42N4O7 654.305349 NA MeJP NA NA +PJ012826 VDEHR C26H42N10O10 654.3086 NA PeJP NA NA +PJ012827 ALEHW C31H42N8O8 654.3126 NA PeJP NA NA +MJ088879 Lycaconitine; O1-De-Me C35H46N2O10 654.315245 NA MeJP NA NA +PJ012828 SVMRY C28H46N8O8S 654.3159 NA PeJP NA NA +PJ012829 GGCKKY C28H46N8O8S 654.316 NA PeJP NA NA +PJ012830 GVFFW C36H42N6O6 654.3166 NA PeJP NA NA +MJ088880 3,5,9,15-Tetrahydroxy-6(17),11-jatrophadien-14-one, 3,9-Dicinnamoyl, 5-Ac C40H46O8 654.319268 NA MeJP NA NA +PJ012831 SQQHR C25H42N12O9 654.3198 NA PeJP NA NA +PJ012832 GTTTLY C29H46N6O11 654.3225 NA PeJP NA NA +PJ012833 VKMMF C30H50N6O6S2 654.3233 NA PeJP NA NA +PJ012834 GQKHW C30H42N10O7 654.3238 NA PeJP NA NA +MJ088881 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-ribopyranoside] C33H50O13 654.325141 NA MeJP NA NA +2808 PEP inhibitor MTPPLP 654.3274 NA Inhouse_peptide NA peptide +PJ012835 FFRW C35H42N8O5 654.3278 NA PeJP NA NA +MJ088882 Dauricine; Me ether, 2'-N-Oxide C39H46N2O7 654.330501 NA MeJP NA NA +MJ088883 Dauricine; Me ether, 2-N-Oxide C39H46N2O7 654.330501 NA MeJP NA NA +MJ088884 Thalirugine; 7-O-Me ether C39H46N2O7 654.330501 NA MeJP NA NA +PJ012836 LKEEH C28H46N8O10 654.3337 NA PeJP NA NA +PJ012837 PKHHH C29H42N12O6 654.3351 NA PeJP NA NA +PJ012838 PTKFY C33H46N6O8 654.3377 NA PeJP NA NA +MJ088885 Rubellidin 3.1 C33H46N6O8 654.337712 NA MeJP NA NA +MJ088886 Kraussianin C37H50O10 654.340397 NA MeJP NA NA +PJ012839 TLKMY C30H50N6O8S 654.3411 NA PeJP NA NA +PJ012840 TLEHR C27H46N10O9 654.3449 NA PeJP NA NA +PJ012841 GPPTQR C27H46N10O9 654.345 NA PeJP NA NA +PJ012842 SLLHW C32H46N8O7 654.349 NA PeJP NA NA +MJ088887 Ansatrienin B; 4''-Hydroxy C36H50N2O9 654.351631 NA MeJP NA NA +PJ012843 AVCLLH C29H50N8O7S 654.3523 NA PeJP NA NA +PJ012844 AALLMH C29H50N8O7S 654.3524 NA PeJP NA NA +PJ012845 SQKHR C26H46N12O8 654.3562 NA PeJP NA NA +MJ088888 Allodesmosine C30H51N6O10(+) 654.358841 NA MeJP NA NA +PJ012846 SPPLLE C30H50N6O10 654.3589 NA PeJP NA NA +PJ012847 GKKHW C31H46N10O6 654.3602 NA PeJP NA NA +PJ012848 VLMHR C28H50N10O6S 654.3636 NA PeJP NA NA +PJ012849 ATTLLH C29H50N8O9 654.3701 NA PeJP NA NA +PJ012850 VVKFY C34H50N6O7 654.3741 NA PeJP NA NA +MJ088889 Antibiotic VM 44866; 22-Deoxy, 13?-(2-methylpropanoyloxy) C38H54O9 654.376783 NA MeJP NA NA +PJ012851 PPVVLM C31H54N6O7S 654.3775 NA PeJP NA NA +PJ012852 GPPTKR C28H50N10O8 654.3813 NA PeJP NA NA +C04216 all-trans-Heptaprenyl diphosphate C35H60O7P2 654.3814 NA KEGG NA NA +C17436 di-trans,poly-cis-Heptaprenyl diphosphate C35H60O7P2 654.3814 NA KEGG NA NA +HMDB12187 All-trans-heptaprenyl diphosphate C35H60O7P2 654.381409 NA HMDB2010 NA NA +MetaCyc04015 all-trans-heptaprenyl diphosphate [] C35H60O7P2 654.381427 NA metacyc NA NA +PJ012853 PPKKW C33H50N8O6 654.3854 NA PeJP NA NA +MJ088890 34-Ethylhuratoxin; 6,7-Deepoxy, 6-hydroxy, 7-chloro, 15,16,22,23,24,25-hexahydro C36H59ClO8 654.389846 NA MeJP NA NA +MJ088891 Bispuupehenone C42H54O6 654.392039 NA MeJP NA NA +MJ088892 Dipuupehetriol C42H54O6 654.392039 NA MeJP NA NA +MJ088893 Isopopopolohuanone E C42H54O6 654.392039 NA MeJP NA NA +MJ088894 Popolohuanone E C42H54O6 654.392039 NA MeJP NA NA +PJ012854 PVQRR C27H50N12O7 654.3926 NA PeJP NA NA +PJ012855 APLLLE C31H54N6O9 654.3953 NA PeJP NA NA +MJ088895 Filipin; Filipin III C35H58O11 654.397912 NA MeJP NA NA +PJ012856 APRRR C26H50N14O6 654.4038 NA PeJP NA NA +PJ012857 SPPVKK C30H54N8O8 654.4065 NA PeJP NA NA +PJ012858 AAPLKR C29H54N10O7 654.4177 NA PeJP NA NA +PJ012859 PVKRR C28H54N12O6 654.429 NA PeJP NA NA +MJ088896 Dexamethasone; 21-(9,12-Octadecadienoyl) C40H59FO6 654.429567 NA MeJP NA NA +PJ012860 SPLLLL C32H58N6O8 654.4316 NA PeJP NA NA +MJ088897 20,24-Epoxydammarane-3,12,23,25-tetrol, 3-O-?-D-Glucopyranoside C36H62O10 654.434298 NA MeJP NA NA +MJ088898 20,24-Epoxydammarane-3,12-25,30-tetrol, 3-O-?-D-Glycopyranoside C36H62O10 654.434298 NA MeJP NA NA +MJ088899 20,24-Epoxydammarane-3,6,12,25-tetrol, 6-O-?-D-Glucopyranoside C36H62O10 654.434298 NA MeJP NA NA +MJ088900 20,25-Epoxydammarane-3,6,12,24-tetrol, 6-O-?-D-Glucopyranoside C36H62O10 654.434298 NA MeJP NA NA +MJ088901 Cucurbit-5-ene-3,22,23,24,25-pentol, 3-O-?-D-Glucopyranoside C36H62O10 654.434298 NA MeJP NA NA +MJ088902 Cumingianoside G C36H62O10 654.434298 NA MeJP NA NA +MJ088903 Cycloartane-3,6,16,24,25-pentol, 3-O-?-D-Glucopyranoside C36H62O10 654.434298 NA MeJP NA NA +MJ088904 Dammar-22-ene-3,6,12,20,25-pentol, 6-O-?-D-Glucopyranoside C36H62O10 654.434298 NA MeJP NA NA +MJ088905 Dammar-23-ene-1,2,3,20,25-pentol, 3-O-?-D-Glucopyranoside C36H62O10 654.434298 NA MeJP NA NA +MJ088906 Dammar-24-ene-1,3,12,20,26-pentol, 20-O-?-D-Glucopyranoside C36H62O10 654.434298 NA MeJP NA NA +MJ088907 Dammar-24-ene-3,6,20,21,26-pentol, 26-O-?-D-Glucopyranoside C36H62O10 654.434298 NA MeJP NA NA +MJ088908 Dammar-24-ene-3,7,18,20,26-pentol, 20-O-?-D-Glucopyranoside C36H62O10 654.434298 NA MeJP NA NA +MJ088909 Dammar-25-ene-1,2,3,20,24-pentol, 3-O-?-D-Glucopyranoside C36H62O10 654.434298 NA MeJP NA NA +MJ088910 Dammar-25-ene-3,6,12,20,24-pentol, 20-O-?-D-Glucopyranoside C36H62O10 654.434298 NA MeJP NA NA +MJ088911 Monensin; Monensin A, 26-Deoxy C36H62O10 654.434298 NA MeJP NA NA +PJ012861 GPLLKK C31H58N8O7 654.4429 NA PeJP NA NA +MJ088912 12-Oleanene-3,16,21,22,28-pentol, 21,22-Diangeloyl C40H62O7 654.449554 NA MeJP NA NA +MJ088913 14,14'-Oxybis[8-angeloyloxythapsane] C40H62O7 654.449554 NA MeJP NA NA +MJ088914 9-Hydroxy-3-methyl-2-decenoic acid, O-(5Z,9Z-Tetracosadienoyl), 2-sulfoethyl ester C37H66O7S 654.452925 NA MeJP NA NA +PJ012862 ALLLLL C33H62N6O7 654.468 NA PeJP NA NA +MJ088915 Donnaienin C C37H66O9 654.470683 NA MeJP NA NA +MJ088916 Topostin D654 C37H70N2O7 654.518302 NA MeJP NA NA +MJ088917 2-Polyprenyl-1,4-benzenediol; 2-Octaprenyl-1,4-benzenediol C46H70O2 654.537581 NA MeJP NA NA +MJ088918 20-Hydroxy-4,12,23,27,43-hexatetracontapentaene-1,18,21,45-tetrayn-3-one; 23,24,43,44-Tetrahydro C46H70O2 654.537581 NA MeJP NA NA +MJ088919 4,17,21,27-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14-diol C46H70O2 654.537581 NA MeJP NA NA +MJ088920 4,21,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14-diol C46H70O2 654.537581 NA MeJP NA NA +MJ088921 Petroformyne 1; 23,24,42,43-Tetrahydro, 44-deoxy, 20-ketone C46H70O2 654.537581 NA MeJP NA NA +MJ088922 Petroformyne 1; 23,24-Dihydro, 44-deoxy, ?43-isomer C46H70O2 654.537581 NA MeJP NA NA +MJ088923 Petroformyne 1; 42,43-Dihydro, 44-deoxy C46H70O2 654.537581 NA MeJP NA NA +MetaCyc04016 2-octaprenyl-6-hydroxyphenol [] C46H70O2 654.537581 NA metacyc NA NA +C05811 2-Octaprenyl-6-hydroxyphenol C46H70O2 654.5376 NA KEGG NA NA +MJ088924 5,7-Dihydroxy-2-tritriacontyl-4H-1-benzopyran-4-one; 7-Me ether C43H74O4 654.55871 NA MeJP NA NA +PJ012863 SCCNDD C21H33N7O13S2 655.1578 NA PeJP NA NA +PJ012864 PCCCCQ C22H37N7O8S4 655.1587 NA PeJP NA NA +FL7AAIGL0013 Malvidin 3-(6''-p-caffeyglucoside) C32H31O15 655.16629 129016-23-5<BR>68795-36-8 knapsack NA NA +MJ088925 Geodiamolide G C28H38IN3O7 655.175444 NA MeJP NA NA +PJ012865 GCCNEM C22H37N7O10S3 655.1764 NA PeJP NA NA +C08718 Malvin C29H35O17 655.1874 NA KEGG NA NA +FL7AAIGL0002 Malvidin 3-diglucoside C29H35O17 655.18742 67286-40-2 knapsack NA NA +FL7AAIGL0003 Malvidin 3-laminaribioside C29H35O17 655.18742 55463-07-5 knapsack NA NA +FL7AAIGL0004 Malvidin 3-gentiobiside C29H35O17 655.18742 - knapsack NA NA +FL7AAIGL0006 Malvidin 3,7-diglucoside C29H35O17 655.18742 96407-95-3 knapsack NA NA +FL7AAIGS0001 Malvin;Malvidin 3,5-diglucoside;Malvidin diglucoside C29H35O17 655.18742 16727-30-3 knapsack NA NA +PJ012866 GCCCDR C21H37N9O9S3 655.1877 NA PeJP NA NA +PJ012867 CCNMW C26H37N7O7S3 655.1917 NA PeJP NA NA +PJ012868 SSCNDM C22H37N7O12S2 655.1942 NA PeJP NA NA +PJ012869 PCCCCK C23H41N7O7S4 655.1951 NA PeJP NA NA +PJ012870 DDDEY C26H33N5O15 655.1973 NA PeJP NA NA +MJ088926 Exfoliatin C27H40ClO16 655.200487 NA MeJP NA NA +PJ012871 DEMMM C24H41N5O10S3 655.2016 NA PeJP NA NA +PJ012872 GSTCCW C26H37N7O9S2 655.2094 NA PeJP NA NA +MJ088927 Neosiphoniamolide A C29H42IN3O6 655.211829 NA MeJP NA NA +PJ012873 GSSSSCE C22H37N7O14S 655.2119 NA PeJP NA NA +PJ012874 GSCQMM C23H41N7O9S3 655.2128 NA PeJP NA NA +PJ012875 DDEMF C27H37N5O12S 655.216 NA PeJP NA NA +PJ012876 CEMHH C25H37N9O8S2 655.2207 NA PeJP NA NA +PJ012877 GSCCMR C22H41N9O8S3 655.2241 NA PeJP NA NA +PJ012878 CCHFF C30H37N7O6S2 655.2247 NA PeJP NA NA +PJ012879 SSSSCW C26H37N7O11S 655.2272 NA PeJP NA NA +PJ012880 SSSSSSD C22H37N7O16 655.2297 NA PeJP NA NA +PJ012881 SSSNMM C23H41N7O11S2 655.2306 NA PeJP NA NA +PJ012882 SEEEY C27H37N5O14 655.2337 NA PeJP NA NA +PJ012883 PDMMY C28H41N5O9S2 655.2346 NA PeJP NA NA +PJ012884 GPCNEH C25H37N9O10S 655.2384 NA PeJP NA NA +PJ012885 SSTCCR C22H41N9O10S2 655.2418 NA PeJP NA NA +PJ012886 SCNFW C30H37N7O8S 655.2424 NA PeJP NA NA +PJ012887 GCQYW C30H37N7O8S 655.2425 NA PeJP NA NA +PJ012888 GSSNEY C26H37N7O13 655.245 NA PeJP NA NA +PJ012889 NNMMF C27H41N7O8S2 655.2458 NA PeJP NA NA +PJ012890 GSSSSTM C23H41N7O13S 655.2483 NA PeJP NA NA +PJ012891 PDDFY C31H37N5O11 655.249 NA PeJP NA NA +PJ012892 GSCKMM C24H45N7O8S3 655.2492 NA PeJP NA NA +PJ012893 VDEMY C28H41N5O11S 655.2524 NA PeJP NA NA +PJ012894 PMMMF C29H45N5O6S3 655.2532 NA PeJP NA NA +PJ012895 PCNHW C29H37N9O7S 655.2537 NA PeJP NA NA +PJ012896 NQEEH C25H37N9O12 655.2562 NA PeJP NA NA +PJ012897 LMMMM C26H49N5O6S4 655.2566 NA PeJP NA NA +PJ012898 CCQFR C26H41N9O7S2 655.2571 NA PeJP NA NA +PJ012899 SSNYW C30H37N7O10 655.2602 NA PeJP NA NA +PJ012900 SQQMY C27H41N7O10S 655.2636 NA PeJP NA NA +PJ012901 SSSSSTT C23H41N7O15 655.2661 NA PeJP NA NA +PJ012902 SSTCKM C24H45N7O10S2 655.2669 NA PeJP NA NA +PJ012903 TTTCCK C24H45N7O10S2 655.267 NA PeJP NA NA +PJ012904 NDDHR C24H37N11O11 655.2674 NA PeJP NA NA +PJ012905 GGGGGGASH C24H37N11O11 655.2675 NA PeJP NA NA +PJ012906 PDMFF C32H41N5O8S 655.2676 NA PeJP NA NA +PJ012907 VEMMF C29H45N5O8S2 655.271 NA PeJP NA NA +PJ012908 SEHHF C29H37N9O9 655.2714 NA PeJP NA NA +PJ012909 GQEHW C29H37N9O9 655.2715 NA PeJP NA NA +PJ012910 SCQRY C26H41N9O9S 655.2748 NA PeJP NA NA +PJ012911 GCKYW C31H41N7O7S 655.2788 NA PeJP NA NA +PJ012912 GPPPCW C31H41N7O7S 655.2789 NA PeJP NA NA +PJ012913 GSSDKY C27H41N7O12 655.2813 NA PeJP NA NA +PJ012914 GPPQEE C27H41N7O12 655.2814 NA PeJP NA NA +PJ012915 CQKMF C28H45N7O7S2 655.2822 NA PeJP NA NA +PJ012916 PEHHH C28H37N11O8 655.2827 NA PeJP NA NA +2843 orphanin FQ/nociceptin peptide [FQ/N (1-7)] FGGFTGA 655.283 antibacterial Inhouse_peptide NA peptide +PJ012917 PVDYY C32H41N5O10 655.2854 NA PeJP NA NA +PJ012918 GSPCHR C25H41N11O8S 655.2861 NA PeJP NA NA +PJ012919 QHWW C33H37N9O6 655.2867 NA PeJP NA NA +PJ012920 TLEMY C29H45N5O10S 655.2887 NA PeJP NA NA +PJ012921 CLHHF C30H41N9O6S 655.2901 NA PeJP NA NA +PJ012922 GSSSRY C26H41N9O11 655.2926 NA PeJP NA NA +PJ012923 CCKFR C27H45N9O6S2 655.2934 NA PeJP NA NA +PJ012924 PPQEW C31H41N7O9 655.2966 NA PeJP NA NA +MJ088928 Rifamycin W C35H45NO11 655.299261 NA MeJP NA NA +C12247 Rifamycin W C35H45NO11 655.2993 NA KEGG NA NA +PJ012925 SQKMY C28H45N7O9S 655.3 NA PeJP NA NA +PJ012926 SQEHR C25H41N11O10 655.3038 NA PeJP NA NA +PJ012927 PVMFY C33H45N5O7S 655.304 NA PeJP NA NA +PJ012928 VLMMY C30H49N5O7S2 655.3074 NA PeJP NA NA +PJ012929 GKEHW C30H41N9O8 655.3078 NA PeJP NA NA +PJ012930 SCKRY C27H45N9O8S 655.3112 NA PeJP NA NA +PJ012931 APPWW C35H41N7O6 655.3119 NA PeJP NA NA +PJ012932 GSTTKY C28H45N7O11 655.3177 NA PeJP NA NA +PJ012933 CKKMF C29H49N7O6S2 655.3186 NA PeJP NA NA +PJ012934 GTHRW C29H41N11O7 655.3191 NA PeJP NA NA +PJ012935 PTLYY C33H45N5O9 655.3217 NA PeJP NA NA +PJ012936 VVEFY C33H45N5O9 655.3218 NA PeJP NA NA +PJ012937 VNMHR C26H45N11O7S 655.3224 NA PeJP NA NA +PJ012938 GGVMHR C26H45N11O7S 655.3225 NA PeJP NA NA +PJ012939 KHWW C34H41N9O5 655.3231 NA PeJP NA NA +7020 synthetic peptide from alpha-gliadin AHGRSQVLQQST 655.327 MH2+ Inhouse_peptide NA peptide +PJ012940 GPPTER C27H45N9O10 655.329 NA PeJP NA NA +PJ012941 PPKEW C32H45N7O8 655.333 NA PeJP NA NA +PJ012942 GMHRR C25H45N13O6S 655.3337 NA PeJP NA NA +MJ088929 Streptovaricin U C36H49NO10 655.335646 NA MeJP NA NA +PJ012943 SKKMY C29H49N7O8S 655.3363 NA PeJP NA NA +PJ012944 SPPPKM C29H49N7O8S 655.3364 NA PeJP NA NA +PJ012945 PVFFF C37H45N5O6 655.337 NA PeJP NA NA +PJ012946 SKEHR C26H45N11O9 655.3402 NA PeJP NA NA +PJ012947 VLMFF C34H49N5O6S 655.3404 NA PeJP NA NA +PJ012948 PPTRW C31H45N9O7 655.3442 NA PeJP NA NA +MJ088930 Oxazolomycin C35H49N3O9 655.34688 NA MeJP NA NA +PJ012949 GPPVMR C28H49N9O7S 655.3476 NA PeJP NA NA +PJ012950 STHRR C25H45N13O8 655.3514 NA PeJP NA NA +PJ012951 GGGGPRR C25H45N13O8 655.3515 NA PeJP NA NA +PJ012952 SPPVKE C29H49N7O10 655.3541 NA PeJP NA NA +MJ088931 Polymastiamide A; 4'-Demethoxy C37H53NO7S 655.354273 NA MeJP NA NA +PJ012953 LLHHH C30H45N11O6 655.3555 NA PeJP NA NA +MJ088932 Zygadenine; O3-?-D-Glucoside C33H53NO12 655.356776 NA MeJP NA NA +PJ012954 VVLYY C34H49N5O8 655.3581 NA PeJP NA NA +PJ012955 PPMRR C27H49N11O6S 655.3588 NA PeJP NA NA +3293 bovine kappa-casein fr, 106-111 MAIPPK 655.3594 celiac toxic Inhouse_peptide NA peptide +PJ012956 SSPPLR C28H49N9O9 655.3653 NA PeJP NA NA +PJ012957 AAPLER C28H49N9O9 655.3654 NA PeJP NA NA +PJ012958 PLLQW C33H49N7O7 655.3694 NA PeJP NA NA +MJ088933 Antibiotic WF 1360E C37H53NO9 655.372032 NA MeJP NA NA +PJ012959 APPLKM C30H53N7O7S 655.3727 NA PeJP NA NA +PJ012960 PPVCLK C30H53N7O7S 655.3728 NA PeJP NA NA +PJ012961 PVERR C27H49N11O8 655.3766 NA PeJP NA NA +PJ012962 PVVRW C32H49N9O6 655.3806 NA PeJP NA NA +PJ012963 LKKMH C29H53N9O6S 655.384 NA PeJP NA NA +PJ012964 GPLLKE C30H53N7O9 655.3905 NA PeJP NA NA +PJ012965 GPTLLR C29H53N9O8 655.4017 NA PeJP NA NA +PJ012966 GGGPLKK C29H53N9O8 655.4018 NA PeJP NA NA +PJ012967 PLLKW C34H53N7O6 655.4058 NA PeJP NA NA +PJ012968 PQKKR C28H53N11O7 655.413 NA PeJP NA NA +C01700 Globomycin C32H57N5O9 655.4156 NA KEGG NA NA +MJ088934 Antibiotic SUAM 20012 C32H57N5O9 655.415628 NA MeJP NA NA +MJ088935 Globomycin C32H57N5O9 655.415628 NA MeJP NA NA +PJ012969 SPVLLK C31H57N7O8 655.4269 NA PeJP NA NA +PJ012970 AALLLR C30H57N9O7 655.4381 NA PeJP NA NA +MJ088936 Stevastelin B C34H61N3O9 655.44078 NA MeJP NA NA +MJ088937 Stevastelin C3; 13-Ac C34H61N3O9 655.44078 NA MeJP NA NA +PJ012971 VLLRR C29H57N11O6 655.4494 NA PeJP NA NA +8307 ACE inhibitor KVLILA 655.451 NA ;SYN:Desiodothyroxine; L-Thyronine; O-(4-Hydroxyphenyl)tyrosine; Thyronine; b-(p-Hydroxyphenoxy)phenylalanine; beta-(p-Hydroxyphenoxy)phenylalanineH2Blood; Urine Inhouse_peptide NA peptide +PJ012972 GLLLLK C32H61N7O7 655.4633 NA PeJP NA NA +MJ088938 2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxy-22-methyltricosanoyl) C40H81NO5 655.611474 NA MeJP NA NA +MJ088939 2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxytetracosanoyl) C40H81NO5 655.611474 NA MeJP NA NA +MJ088940 2-Amino-1,3,4-octadecanetriol, N-(2R-Hydroxydocosanoyl) C40H81NO5 655.611474 NA MeJP NA NA +MJ088941 2-Amino-1,3,4-pentadecanetriol, N-(2R-Hydroxy-23-methyltetracosanoyl) C40H81NO5 655.611474 NA MeJP NA NA +MJ088942 2-Amino-1,3,4-pentadecanetriol, N-(2R-Hydroxypentacosanoyl) C40H81NO5 655.611474 NA MeJP NA NA +MJ088943 Chartellamide A C20H12Br4N4O2 655.769376 NA MeJP NA NA +7443 coeliac toxic peptide YYPTSPQQSGQG 655.7785 MH2+ Inhouse_peptide NA peptide +FL5FFCGS0007 Gossypetin 3-glucuronide-8-glucoside C27H28O19 656.12247 113541-00-7 knapsack NA NA +MJ088944 3,3',4',5,7,8-Hexahydroxyflavone; 3-O-?-D-Glucopyranoside, 8-O-?-D-glucuronopyranoside C27H28O19 656.122478 NA MeJP NA NA +MJ088945 3,3',4',5,7,8-Hexahydroxyflavone; 3-O-?-D-Glucuronopyranoside, 8-O-?-D-glucopyranoside C27H28O19 656.122478 NA MeJP NA NA +MJ088946 Emethallicin A C34H28N2O8S2 656.128707 NA MeJP NA NA +FL5FECGS0051 Quercetagetin 4'-methyl ether 7-(6-(E)-caffeylglucoside) C31H28O16 656.13773 168293-28-5 knapsack NA NA +MJ088947 3,3',4',5,6,7-Hexahydroxyflavone; 4'-Me ether, 7-O-[3,4-dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C31H28O16 656.137734 NA MeJP NA NA +PJ012973 SCCDDD C21H32N6O14S2 656.1418 NA PeJP NA NA +PJ012974 PCCCCE C22H36N6O9S4 656.1427 NA PeJP NA NA +MJ088948 Teniposide C32H32O13S 656.156361 NA MeJP NA NA +C11153 VM-26 C32H32O13S 656.1564 NA KEGG NA NA +FL5F4GGS0001 3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone 7-neohesperidoside;7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-3,6,8-trihydroxy-4H-1-benzopyran-4-one C28H32O18 656.15886 163167-40-6 knapsack NA NA +FL5FAHGL0003 Laricitrin 3,5'-diglucoside C28H32O18 656.15886 89345-43-7 knapsack NA NA +FL5FAJGA0001 Mearnsetin 3-galactosyl-(1->4)-galactoside C28H32O18 656.15886 73815-16-4 knapsack NA NA +FL5FECGL0004 Patuletin 3-gentiobioside C28H32O18 656.15886 101021-28-7 knapsack NA NA +FL5FECGL0006 Patuletin 3,7-diglucoside;Quercetagetin 6-methyl ether 3,7-diglucoside;2-(3,4-Dihydroxyphenyl)-3,7-bis(beta-D-glucopyranosyloxy)-5-hydroxy-6-methoxy-4H-1-benzopyran-4-one C28H32O18 656.15886 33530-68-6 knapsack NA NA +FL5FECGS0063 Quercetagetin 7-methyl ether 3-cellobioside;2-(3,4-Dihydroxyphenyl)-3-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one C28H32O18 656.15886 235741-64-7 knapsack NA NA +FL5FFCGA0003 Ranupenin 3-galactoside-8-glucoside C28H32O18 656.15886 67539-53-1 knapsack NA NA +FL5FFCGL0007 Corniculatusin 3,7-diglucoside C28H32O18 656.15886 111133-92-7 knapsack NA NA +MJ088949 3,3',4',5',6,7,8-Heptahydroxyflavone; 3'-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C28H32O18 656.158864 NA MeJP NA NA +MJ088950 3,3',4',5,6,7-Hexahydroxyflavone; 7-Me ether, 3-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] C28H32O18 656.158864 NA MeJP NA NA +MJ088951 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3,7-Di-O-?-D-glucopyranoside C28H32O18 656.158864 NA MeJP NA NA +MJ088952 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1??)-?-D-galactopyranoside] C28H32O18 656.158864 NA MeJP NA NA +MJ088953 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C28H32O18 656.158864 NA MeJP NA NA +MJ088954 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C28H32O18 656.158864 NA MeJP NA NA +MJ088955 3,3',4',5,7-Pentahydroxy-8-methoxyflavone; 3,7-Di-O-?-D-glucopyranoside C28H32O18 656.158864 NA MeJP NA NA +MJ088956 3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 3-O-D-Galactoside, 8-O-?-D-glucopyranoside C28H32O18 656.158864 NA MeJP NA NA +MJ088957 3,3',5,5',7-Pentahydroxy-4'-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-galactopyranoside] C28H32O18 656.158864 NA MeJP NA NA +MJ088958 3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3,5'-Di-O-?-D-glucopyranoside C28H32O18 656.158864 NA MeJP NA NA +PJ012975 GCCDEM C22H36N6O11S3 656.1605 NA PeJP NA NA +PJ012976 SCCCNQ C21H36N8O10S3 656.1717 NA PeJP NA NA +MJ088959 2',5,5',6,7-Pentahydroxyflavanone, 6-Me ether, 2'-O-[2-O-4-hydroxy-3-methoxycinnamoyl-?-D-glucopyranoside] C32H32O15 656.17412 NA MeJP NA NA +MJ088960 Ergochromes; Ergochrome AD C32H32O15 656.17412 NA MeJP NA NA +MJ088961 Ergochromes; Ergochrome BD C32H32O15 656.17412 NA MeJP NA NA +PJ012977 CCDMW C26H36N6O8S3 656.1757 NA PeJP NA NA +PJ012978 SSCDDM C22H36N6O13S2 656.1782 NA PeJP NA NA +PJ012979 PTCCCM C23H40N6O8S4 656.1791 NA PeJP NA NA +MJ088962 6-Chloro-11,20-epoxy-2,8,9,12,13,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 2,9,12,13,14-Penta-Ac C30H37ClO14 656.187183 NA MeJP NA NA +MJ088963 [p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',3',5'-Tris(4S,5S-epoxy-2Z-hexenoyl) C36H32O12 656.189376 NA MeJP NA NA +PJ012980 GSSSCCN C21H36N8O12S2 656.1894 NA PeJP NA NA +PJ012981 GPCCDY C26H36N6O10S2 656.1935 NA PeJP NA NA +MJ088964 1,2,3,4,5,7-Hexahydroxyxanthone; 2,3,4,5,7-Penta-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C29H36O17 656.195249 NA MeJP NA NA +MJ088965 1,2,3,4,5-Pentahydroxyxanthone; 2,3,4,5-Tetra-Me ether, 1-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C29H36O17 656.195249 NA MeJP NA NA +MJ088966 1,2,3,4,6,8-Hexahydroxyxanthone; 1,2,3,4,6-Penta-Me ether, 8-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyanoside] C29H36O17 656.195249 NA MeJP NA NA +MJ088967 1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 2-O-[?-D-Glucopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C29H36O17 656.195249 NA MeJP NA NA +C10466 Hellicoside C29H36O17 656.1953 NA KEGG NA NA +PJ012982 GSCEMM C23H40N6O10S3 656.1968 NA PeJP NA NA +PJ012983 GCCNNF C25H36N8O9S2 656.2047 NA PeJP NA NA +PJ012984 SCCCNK C22H40N8O9S3 656.2081 NA PeJP NA NA +PJ012985 NDDMY C26H36N6O12S 656.2112 NA PeJP NA NA +PJ012986 SCMMW C27H40N6O7S3 656.2121 NA PeJP NA NA +PJ012987 SSSDMM C23H40N6O12S2 656.2146 NA PeJP NA NA +MJ088968 4-[4-(Carboxymethyl)phenoxy]-1-[1-oxo-2-[4-[(2-sulfobenzoyl)amino]-1H-imidazol-1-yl]octyl]proline C31H36N4O10S 656.215214 NA MeJP NA NA +PJ012988 NMMMM C24H44N6O7S4 656.2154 NA PeJP NA NA +PJ012989 GGMMMM C24H44N6O7S4 656.2155 NA PeJP NA NA +PJ012990 GTCCHH C24H36N10O8S2 656.2159 NA PeJP NA NA +MJ088969 Oscillatoxin A; 21-Bromo C31H45BrO10 656.21961 NA MeJP NA NA +PJ012991 GSCNNY C25H36N8O11S 656.2224 NA PeJP NA NA +PJ012992 GGGSCNY C25H36N8O11S 656.2225 NA PeJP NA NA +PJ012993 GCEYW C30H36N6O9S 656.2265 NA PeJP NA NA +PJ012994 GSSDEY C26H36N6O14 656.229 NA PeJP NA NA +PJ012995 GSPCMY C27H40N6O9S2 656.2298 NA PeJP NA NA +PJ012996 GGDMMF C27H40N6O9S2 656.2299 NA PeJP NA NA +FL64ABGM0003 Triphyllin A C30H40O16 656.23163 101395-02-2 knapsack NA NA +MJ088970 4,4',5,7-Tetrahydroxy-6-hydroxymethyl-8-methylflavan, 4'-Me ether, 5,7-di-O-?-D-glucopyranoside C30H40O16 656.231635 NA MeJP NA NA +MJ088971 Harpagide; 8-O-E-Cinnamoyl, 6-O-?-D-galactopyranoside C30H40O16 656.231635 NA MeJP NA NA +MJ088972 Morroniside; 6'-O-[3-(3,4-Dimethoxybenzoyloxy)-2-methylpropanoyl] (R-) C30H40O16 656.231635 NA MeJP NA NA +PJ012997 GSTMMM C24H44N6O9S3 656.2332 NA PeJP NA NA +PJ012998 SSSCHH C24H36N10O10S 656.2337 NA PeJP NA NA +PJ012999 PCDHW C29H36N8O8S 656.2377 NA PeJP NA NA +PJ013000 NEEEH C25H36N8O13 656.2402 NA PeJP NA NA +PJ013001 CCEFR C26H40N8O8S2 656.2411 NA PeJP NA NA +PJ013002 CYWW C34H36N6O6S 656.2417 NA PeJP NA NA +PJ013003 SSDYW C30H36N6O11 656.2442 NA PeJP NA NA +PJ013004 ACMFW C31H40N6O6S2 656.2451 NA PeJP NA NA +MJ088973 Antibiotic MA 144 U9; 3''-Deoxy C34H40O13 656.246891 NA MeJP NA NA +PJ013005 SQEMY C27H40N6O11S 656.2476 NA PeJP NA NA +PJ013006 CNHHF C28H36N10O7S 656.2489 NA PeJP NA NA +PJ013007 GGCHHF C28H36N10O7S 656.249 NA PeJP NA NA +PJ013008 SSTTMM C24H44N6O11S2 656.251 NA PeJP NA NA +PJ013009 GSNNEH C24H36N10O12 656.2514 NA PeJP NA NA +PJ013010 DDDHR C24H36N10O12 656.2515 NA PeJP NA NA +PJ013011 GEEHW C29H36N8O10 656.2555 NA PeJP NA NA +MJ088974 Daunosaminyldaunomycin C33H40N2O12 656.258124 NA MeJP NA NA +MJ088975 Leurubicin C33H40N2O12 656.258124 NA MeJP NA NA +PJ013012 SCERY C26H40N8O10S 656.2588 NA PeJP NA NA +MJ088976 1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 1,6,9-Tribenzoyl, 2-Ac C38H40O10 656.262147 NA MeJP NA NA +MJ088977 1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 2,8,9-Tribenzoyl, 1-Ac C38H40O10 656.262147 NA MeJP NA NA +MJ088978 1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 1,8,9-Tribenzoyl, 6-Ac C38H40O10 656.262147 NA MeJP NA NA +PJ013013 ASMYW C31H40N6O8S 656.2628 NA PeJP NA NA +PJ013014 GTMYW C31H40N6O8S 656.2629 NA PeJP NA NA +PJ013015 ASSTEY C27H40N6O13 656.2653 NA PeJP NA NA +PJ013016 GSTTEY C27H40N6O13 656.2654 NA PeJP NA NA +PJ013017 VNMMY C28H44N6O8S2 656.2662 NA PeJP NA NA +PJ013018 SNNHW C28H36N10O9 656.2667 NA PeJP NA NA +PJ013019 NQQMH C25H40N10O9S 656.2701 NA PeJP NA NA +PJ013020 EHWW C33H36N8O7 656.2707 NA PeJP NA NA +PJ013021 SPMHW C30H40N8O7S 656.2741 NA PeJP NA NA +PJ013022 DKEEH C26H40N8O12 656.2766 NA PeJP NA NA +PJ013023 GMMRY C27H44N8O7S2 656.2775 NA PeJP NA NA +PJ013024 STTYW C31H40N6O10 656.2806 NA PeJP NA NA +PJ013025 CNQHR C24H40N12O8S 656.2813 NA PeJP NA NA +MJ088979 1,3,5,14,15,17-Hexahydroxy-9-paralianone, 3-Benzoyl, 1,5,14,17-tetra-Ac C35H44O12 656.283276 NA MeJP NA NA +MJ088980 1,3,5,8,14,15-Hexahydroxy-9-paralianone, 3-Benzoyl, 1,5,8,14-tetra-Ac C35H44O12 656.283276 NA MeJP NA NA +MJ088981 11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 10-Benzoyl, 2,7,9,13-tetra-Ac C35H44O12 656.283276 NA MeJP NA NA +MJ088982 3,5,7,8,14,15-Hexahydroxy-6(17),11-jatrophadien-9-one, 3-Benzoyl, 5,7,8,14-tetra-Ac C35H44O12 656.283276 NA MeJP NA NA +MJ088983 5,20-Epoxy-11-taxene-1,2,4,7,9,10-hexol, 2-Benzoyl, 4,7,9,10-tetra-Ac C35H44O12 656.283276 NA MeJP NA NA +MJ088984 7,15-Dihydroxy-3,13-clerodadien-15,16-olid-18-oic acid, 15-Deoxy, 7-Ac, 18-O-(4-O-benzoyl-?-D-glucopyranosyl) ester C35H44O12 656.283276 NA MeJP NA NA +MJ088985 Turraflorin C C35H44O12 656.283276 NA MeJP NA NA +PJ013026 SKEMY C28H44N6O10S 656.284 NA PeJP NA NA +MJ088986 Cryptophycin 26 C35H45ClN2O8 656.286444 NA MeJP NA NA +MJ088987 Cryptophycin 4; 2,3-Dihydro, 3?-hydroxy, 6'-chloro C35H45ClN2O8 656.286444 NA MeJP NA NA +PJ013027 SEEHR C25H40N10O11 656.2878 NA PeJP NA NA +PJ013028 GGGGGGAPQ C25H40N10O11 656.2879 NA PeJP NA NA +PJ013029 SVEHW C30H40N8O9 656.2919 NA PeJP NA NA +PJ013030 STMRY C27H44N8O9S 656.2952 NA PeJP NA NA +PJ013031 AAFYW C35H40N6O7 656.2959 NA PeJP NA NA +2919 neuropeptide from eyestalk of Macrobrachium rosenb FMRFG 656.2984 antibacterial Inhouse_peptide NA peptide +PJ013032 GSSNHR C24H40N12O10 656.2991 NA PeJP NA NA +PJ013033 PCKFY C32H44N6O7S 656.2992 NA PeJP NA NA +PJ013034 GGVMFF C32H44N6O7S 656.2993 NA PeJP NA NA +PJ013035 SSSTLY C28H44N6O12 656.3017 NA PeJP NA NA +PJ013036 SPPVEE C28H44N6O12 656.3018 NA PeJP NA NA +PJ013037 CLKMY C29H48N6O7S2 656.3026 NA PeJP NA NA +MJ088988 13,17-Dihydroxy-15-kauren-19-oic acid, 17-Aldehyde, 13-O-?-D-glucopyranoside, ?-D-glucopyranosyl ester C32H48O14 656.304406 NA MeJP NA NA +MJ088989 Riboflavine; 2',3',4',5'-Tetrabutanoyl C33H44N4O10 656.305743 NA MeJP NA NA +PJ013038 VDMHR C26H44N10O8S 656.3065 NA PeJP NA NA +PJ013039 APHFW C34H40N8O6 656.3071 NA PeJP NA NA +MJ088990 Efatine C38H44N2O8 656.309766 NA MeJP NA NA +MJ088991 Sinomenine; 1,1'-Dimer C38H44N2O8 656.309766 NA MeJP NA NA +MJ088992 Vateamine C38H44N2O8 656.309766 NA MeJP NA NA +C16954 Disinomenine C38H44N2O8 656.3098 NA KEGG NA NA +PJ013040 ALMHW C31H44N8O6S 656.3105 NA PeJP NA NA +PJ013041 GTTLEH C27H44N8O11 656.313 NA PeJP NA NA +PJ013042 VQHHH C28H40N12O7 656.3143 NA PeJP NA NA +2645 synthetic fr, of human beta-CN (193-197) ACE inhibitor HQIYP 656.315 NA Inhouse_peptide NA peptide +8234 Antioxidative peptide AGWNIP 656.3159 NA ;SYN:(-)-Asparagine; (S)-2,4-Diamino-4-oxobutanoate; (S)-2,4-Diamino-4-oxobutanoic acid; (S)-Asparagine; 2-Aminosuccinamate; 2-Aminosuccinamic acid; Agedoite; Altheine; Asn; Asparagine; Asparagine acid; Asparamide; Aspartamate; Aspartamic acid; Aspartic acid amide; Aspartic acid b-amide; Aspartic acid beta amide; B2,4-(S)-diamino-4-oxo-utanoate; B2,4-(S)-diamino-4-oxo-utanoic acid; Crystal VI; L-2,4-Diamino-4-oxobutanoate; L-2,4-Diamino-4-oxobutanoic acid; L-Aspartamine; L-b-Asparagine; L-beta-Asparagine; a-Aminosuccinamate; a-Aminosuccinamic acid; alpha Amminosuccinamate; alpha Amminosuccinamic acid; alpha-Aminosuccinamate; alpha-Aminosuccinamic acid; l-AsparagineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ013043 SPKYY C32H44N6O9 656.317 NA PeJP NA NA +PJ013044 CNKHR C25H44N12O7S 656.3177 NA PeJP NA NA +MJ088993 1,3,7,11,12-Pentahydroxy-14-meliacen-28-oic acid, 12-(2-Methylbutanoyl), 7-ketone, 1,11-di-Ac, Me ester C36H48O11 656.319662 NA MeJP NA NA +MJ088994 Sodagnitin E; 12-Oxo, 3-ketone, 2-(3-hydroxy-3-methylglutaroyl) C36H48O11 656.319662 NA MeJP NA NA +PJ013045 APPLEM C29H48N6O9S 656.3204 NA PeJP NA NA +C02725 N3'-Acetylneomycin C25H48N6O14 656.3229 NA KEGG NA NA +PJ013046 PQQER C26H44N10O10 656.3242 NA PeJP NA NA +PJ013047 AHHHR C27H40N14O6 656.3256 NA PeJP NA NA +PJ013048 TTLHW C31H44N8O8 656.3282 NA PeJP NA NA +PJ013049 GGGAPLW C31H44N8O8 656.3283 NA PeJP NA NA +MJ088995 Delectinine; O18-(2-Acetamidobenzoyl), O14-Ac C35H48N2O10 656.330895 NA MeJP NA NA +PJ013050 LKEMH C28H48N8O8S 656.3316 NA PeJP NA NA +MJ088996 Grandidone D C40H48O8 656.334918 NA MeJP NA NA +PJ013051 PNDRR C25H44N12O9 656.3355 NA PeJP NA NA +PJ013052 CLKFF C33H48N6O6S 656.3356 NA PeJP NA NA +PJ013053 GPLLEE C29H48N6O11 656.3381 NA PeJP NA NA +PJ013054 APQRW C30H44N10O7 656.3395 NA PeJP NA NA +3702 NA VTKFY 656.34 ACE inhibitor Inhouse_peptide NA peptide +MJ088997 3,14-Dihydroxypregn-5-en-20-one, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C33H52O13 656.340791 NA MeJP NA NA +PJ013055 TLMHR C27H48N10O7S 656.3428 NA PeJP NA NA +PJ013056 GPPCKR C27H48N10O7S 656.3429 NA PeJP NA NA +PJ013057 SSTLLH C28H48N8O10 656.3494 NA PeJP NA NA +PJ013058 VKHHH C29H44N12O6 656.3507 NA PeJP NA NA +PJ013059 PLLEW C33H48N6O8 656.3534 NA PeJP NA NA +MJ088998 Wikstrotoxin A; 12?-Acetoxy C37H52O10 656.356047 NA MeJP NA NA +PJ013060 SPPLLM C30H52N6O8S 656.3568 NA PeJP NA NA +PJ013061 PQKER C27H48N10O9 656.3606 NA PeJP NA NA +PJ013062 PVQKW C32H48N8O7 656.3646 NA PeJP NA NA +MJ088999 Delajacirine C36H52N2O9 656.367281 NA MeJP NA NA +PJ013063 GPPKKM C29H52N8O7S 656.368 NA PeJP NA NA +MJ089000 Amphibine E; N-De-Me C37H48N6O5 656.368618 NA MeJP NA NA +PJ013064 PTQRR C26H48N12O8 656.3718 NA PeJP NA NA +PJ013065 SPVLLE C30H52N6O10 656.3745 NA PeJP NA NA +PJ013066 APKRW C31H48N10O6 656.3759 NA PeJP NA NA +MJ089001 3,14-Dihydroxypregnan-20-one, <bi></bi>3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-? -d -galactopyranoside] C34H56O12 656.377177 NA MeJP NA NA +MJ089002 Pregn-5-ene-3,14,20-triol, 3-O-(6-Deoxy-3-O-methyl-?-D-galactopyranoside), 20-O-?-D-glucopyranoside C34H56O12 656.377177 NA MeJP NA NA +MJ089003 Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] C34H56O12 656.377177 NA MeJP NA NA +PJ013067 SPPTKK C29H52N8O9 656.3857 NA PeJP NA NA +PJ013068 GPVKKE C29H52N8O9 656.3858 NA PeJP NA NA +PJ013069 APPLLF C34H52N6O7 656.3898 NA PeJP NA NA +MJ089004 Ilikonapyrone; 11,13-Dipropanoyl C38H56O9 656.392433 NA MeJP NA NA +PJ013070 APLLLM C31H56N6O7S 656.3932 NA PeJP NA NA +PJ013071 PKKER C28H52N10O8 656.397 NA PeJP NA NA +PJ013072 PVKKW C33H52N8O6 656.401 NA PeJP NA NA +PJ013073 PTKRR C27H52N12O7 656.4082 NA PeJP NA NA +PJ013074 GLLLLE C31H56N6O9 656.4109 NA PeJP NA NA +MJ089005 Monensin; 2-Demethylmonensin A C35H60O11 656.413562 NA MeJP NA NA +MJ089006 Monensin; Monensin A, 3-O-De-Me C35H60O11 656.413562 NA MeJP NA NA +MJ089007 Monensin; Monensin B C35H60O11 656.413562 NA MeJP NA NA +PJ013075 GLRRR C26H52N14O6 656.4195 NA PeJP NA NA +PJ013076 APTLKK C30H56N8O8 656.4221 NA PeJP NA NA +PJ013077 AAAALLK C30H56N8O8 656.4222 NA PeJP NA NA +C07466 Enalkiren C35H56N6O6 656.4261 NA KEGG NA NA +MJ089008 Enalkiren C35H56N6O6 656.426133 NA MeJP NA NA +PJ013078 LLLLW C35H56N6O6 656.4262 NA PeJP NA NA +MJ089009 12-Oleanene-3,16,21,22,28-pentol, 21-(Methylbutenoyl), 22,28-di-Ac C39H60O8 656.428818 NA MeJP NA NA +MJ089010 12-Oleanene-3,16,21,22,28-pentol, 22-Angeloyl, 16,28-di-Ac C39H60O8 656.428818 NA MeJP NA NA +PJ013079 LLQKR C29H56N10O7 656.4334 NA PeJP NA NA +PJ013080 VVKRR C28H56N12O6 656.4446 NA PeJP NA NA +PJ013081 SVLLLL C32H60N6O8 656.4473 NA PeJP NA NA +PJ013082 GVLLKK C31H60N8O7 656.4585 NA PeJP NA NA +PJ013083 LLKKR C30H60N10O6 656.4698 NA PeJP NA NA +HMDB11155 PA(P-16:0e/18:2(9Z,12Z)) C37H69O7P 656.478088 NA HMDB2010 NA NA +MJ089011 Inostamycin; Decarboxy C37H68O9 656.486333 NA MeJP NA NA +MJ089012 4,15,21,27,43-Hexatetracontapentaene-1,12,45-triyne-3,14-diol C46H72O2 656.553231 NA MeJP NA NA +MJ089013 4,21,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14-diol, 43,44-Dihydro C46H72O2 656.553231 NA MeJP NA NA +MJ089014 4,21,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14-diol, 4,5-Dihydro C46H72O2 656.553231 NA MeJP NA NA +MJ089015 4,21,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14-diol, 43,44-Dihydro C46H72O2 656.553231 NA MeJP NA NA +MJ089016 Petroformyne 1; 4,5,42,43-Tetrahydro, 44-deoxy, 23Z-isomer C46H72O2 656.553231 NA MeJP NA NA +2813 PEP inhibitor GVQVETISPGDGR 656.8209 MH2+ Inhouse_peptide NA peptide +MJ089017 Rebeccamycin; Dibromo analogue C27H21Br2N3O7 656.974625 NA MeJP NA NA +PJ013084 SCCCNE C21H35N7O11S3 657.1557 NA PeJP NA NA +PJ013085 GSCCCW C25H35N7O8S3 657.171 NA PeJP NA NA +PJ013086 GSSSCCD C21H35N7O13S2 657.1735 NA PeJP NA NA +PJ013087 GCCNMM C22H39N7O8S4 657.1743 NA PeJP NA NA +PJ013088 ACCCCR C21H39N9O7S4 657.1856 NA PeJP NA NA +PJ013089 GCCNDF C25H35N7O10S2 657.1887 NA PeJP NA NA +MJ089018 Geodiamolide L C28H40IN3O7 657.191094 NA MeJP NA NA +MJ089019 Geodiamolide O C28H40IN3O7 657.191094 NA MeJP NA NA +PJ013090 SSCCQM C22H39N7O10S3 657.1921 NA PeJP NA NA +PJ013091 DDDMY C26H35N5O13S 657.1952 NA PeJP NA NA +PJ013092 DMMMM C24H43N5O8S4 657.1995 NA PeJP NA NA +PJ013093 SSCCCR C21H39N9O9S3 657.2033 NA PeJP NA NA +MJ089020 Antibiotic A 2121; Antibiotic A 2121-1, 4A,4E-Bis-O-deglycosyl C32H35NO14 657.205754 NA MeJP NA NA +PJ013094 GSCNDY C25H35N7O12S 657.2065 NA PeJP NA NA +PJ013095 GSSSSCM C22H39N7O12S2 657.2098 NA PeJP NA NA +PJ013096 ACCCKM C23H43N7O7S4 657.2107 NA PeJP NA NA +PJ013097 DDMMF C27H39N5O10S2 657.2139 NA PeJP NA NA +PJ013098 CMMHH C25H39N9O6S3 657.2186 NA PeJP NA NA +PJ013099 DEEEH C25H35N7O14 657.2242 NA PeJP NA NA +PJ013100 CNQMY C26H39N7O9S2 657.2251 NA PeJP NA NA +MJ089021 Histidomycin A C25H36ClN9O10 657.227366 NA MeJP NA NA +PJ013101 SSSSSTC C22H39N7O14S 657.2276 NA PeJP NA NA +PJ013102 DDDFF C30H35N5O12 657.2282 NA PeJP NA NA +PJ013103 SSCCKM C23H43N7O9S3 657.2285 NA PeJP NA NA +PJ013104 GCNNNH C23H35N11O10S 657.2289 NA PeJP NA NA +PJ013105 GGGGGCNH C23H35N11O10S 657.229 NA PeJP NA NA +PJ013106 SEEMY C27H39N5O12S 657.2316 NA PeJP NA NA +PJ013107 CDHHF C28H35N9O8S 657.233 NA PeJP NA NA +PJ013108 GSNDEH C24H35N9O13 657.2355 NA PeJP NA NA +PJ013109 CCNRY C25H39N9O8S2 657.2363 NA PeJP NA NA +PJ013110 GSSNMY C26H39N7O11S 657.2428 NA PeJP NA NA +PJ013111 GGGSSMY C26H39N7O11S 657.2429 NA PeJP NA NA +PJ013112 PCEFY C31H39N5O9S 657.2469 NA PeJP NA NA +PJ013113 VDMMY C28H43N5O9S2 657.2502 NA PeJP NA NA +PJ013114 SNDHW C28H35N9O10 657.2507 NA PeJP NA NA +PJ013115 NQEMH C25H39N9O10S 657.2541 NA PeJP NA NA +PJ013116 CNQFF C30H39N7O8S 657.2581 NA PeJP NA NA +PJ013117 SSSSQY C26H39N7O13 657.2606 NA PeJP NA NA +PJ013118 CNKMY C27H43N7O8S2 657.2615 NA PeJP NA NA +PJ013119 SPEYY C31H39N5O11 657.2646 NA PeJP NA NA +PJ013120 CNEHR C24H39N11O9S 657.2653 NA PeJP NA NA +PJ013121 VMMMF C29H47N5O6S3 657.2689 NA PeJP NA NA +PJ013122 GQMHW C29H39N9O7S 657.2693 NA PeJP NA NA +PJ013123 GGAMHW C29H39N9O7S 657.2694 NA PeJP NA NA +PJ013124 GSTQEH C25H39N9O12 657.2718 NA PeJP NA NA +PJ013125 GGGTTEH C25H39N9O12 657.2719 NA PeJP NA NA +PJ013126 APCCKH C26H43N9O7S2 657.2727 NA PeJP NA NA +PJ013127 NNHHH C26H35N13O8 657.2732 NA PeJP NA NA +2727 erythromycin inhibitor MYMLT 657.2748 NA Inhouse_peptide NA peptide +PJ013128 SNQFY C30H39N7O10 657.2758 NA PeJP NA NA +PJ013129 GSPPDW C30H39N7O10 657.2759 NA PeJP NA NA +MJ089022 Antibiotic T 2636K C34H43NO12 657.278525 NA MeJP NA NA +MJ089023 Lankacidin T C34H43NO12 657.278525 NA MeJP NA NA +MJ089024 Lankacidin U C34H43NO12 657.278525 NA MeJP NA NA +PJ013130 GSTCKY C27H43N7O10S 657.2792 NA PeJP NA NA +PJ013131 GGAPPEM C27H43N7O10S 657.2793 NA PeJP NA NA +PJ013132 GCHRW C28H39N11O6S 657.2806 NA PeJP NA NA +PJ013133 GSSDHR C24H39N11O11 657.2831 NA PeJP NA NA +PJ013134 PCLYY C32H43N5O8S 657.2832 NA PeJP NA NA +PJ013135 VDMFF C32H43N5O8S 657.2833 NA PeJP NA NA +PJ013136 TLMMY C29H47N5O8S2 657.2866 NA PeJP NA NA +PJ013137 STQHW C29H39N9O9 657.2871 NA PeJP NA NA +PJ013138 GPPCER C26H43N9O9S 657.2905 NA PeJP NA NA +PJ013139 PPQMW C31H43N7O7S 657.2945 NA PeJP NA NA +PJ013140 SSSSKY C27H43N7O12 657.297 NA PeJP NA NA +PJ013141 VEHHH C28H39N11O8 657.2983 NA PeJP NA NA +PJ013142 GGGPPHH C28H39N11O8 657.2984 NA PeJP NA NA +PJ013143 ALEYY C32H43N5O10 657.301 NA PeJP NA NA +PJ013144 SQMHR C25H43N11O8S 657.3017 NA PeJP NA NA +PJ013145 AHHFF C33H39N9O6 657.3024 NA PeJP NA NA +PJ013146 PPCRW C30H43N9O6S 657.3057 NA PeJP NA NA +MJ089025 Paromomycin; N1-Ac C25H47N5O15 657.306865 NA MeJP NA NA +C17587 2'''-N-Acetyl-6'''-deamino-6'''-hydroxyneomycin C C25H47N5O15 657.3069 NA KEGG NA NA +PJ013147 PQEER C26H43N9O11 657.3082 NA PeJP NA NA +PJ013148 GGGGGPKE C26H43N9O11 657.3083 NA PeJP NA NA +PJ013149 PVQEW C31H43N7O9 657.3122 NA PeJP NA NA +PJ013150 GGPLEW C31H43N7O9 657.3123 NA PeJP NA NA +PJ013151 SCHRR C24H43N13O7S 657.3129 NA PeJP NA NA +MJ089026 Protorifamycin I-MI C35H47NO11 657.314911 NA MeJP NA NA +MJ089027 Aconitine C35H47NO11 657.314911 NA MeJP NA NA +PJ013152 GPPKEM C28H47N7O9S 657.3156 NA PeJP NA NA +PJ013153 PTFFF C36H43N5O7 657.3163 NA PeJP NA NA +PJ013154 PDDRR C25H43N11O10 657.3195 NA PeJP NA NA +PJ013155 VVMFY C33H47N5O7S 657.3196 NA PeJP NA NA +PJ013156 APERW C30H43N9O8 657.3235 NA PeJP NA NA +PJ013157 GPPTMR C27H47N9O8S 657.3269 NA PeJP NA NA +PJ013158 GPLWW C35H43N7O6 657.3275 NA PeJP NA NA +PJ013159 PPKMW C32H47N7O6S 657.3309 NA PeJP NA NA +PJ013160 GPVKEE C28H47N7O11 657.3334 NA PeJP NA NA +MJ089028 Polymastiamide D C36H51NO8S 657.333538 NA MeJP NA NA +PJ013161 AQHFR C29H43N11O7 657.3347 NA PeJP NA NA +PJ013162 SLLYY C33H47N5O9 657.3374 NA PeJP NA NA +PJ013163 SKMHR C26H47N11O7S 657.3381 NA PeJP NA NA +PJ013164 PKEER C27H47N9O10 657.3446 NA PeJP NA NA +PJ013165 PVKEW C32H47N7O8 657.3486 NA PeJP NA NA +MJ089029 Chasmanine; 14-O-(3,4-Dimethoxybenzoyl), 8-Ac C36H51NO10 657.351296 NA MeJP NA NA +MJ089030 Zygadenine; O3-(3,4-Dimethoxybenzoyl) C36H51NO10 657.351296 NA MeJP NA NA +PJ013166 SPPVKM C29H51N7O8S 657.352 NA PeJP NA NA +PJ013167 VVFFF C37H47N5O6 657.3527 NA PeJP NA NA +PJ013168 PTERR C26H47N11O9 657.3558 NA PeJP NA NA +PJ013169 GSPNKR C26H47N11O9 657.3559 NA PeJP NA NA +PJ013170 SPLRW C31H47N9O7 657.3599 NA PeJP NA NA +PJ013171 AAPLMR C28H51N9O7S 657.3633 NA PeJP NA NA +PJ013172 AQQRR C25H47N13O8 657.3671 NA PeJP NA NA +PJ013173 APTLKE C29H51N7O10 657.3698 NA PeJP NA NA +PJ013174 AKHFR C30H47N11O6 657.3711 NA PeJP NA NA +PJ013175 PVMRR C27H51N11O6S 657.3745 NA PeJP NA NA +2925 neuropeptide from eyestalk of Macrobrachium rosenb ANRSPSLRLRF~ 657.37545 MH2+ Inhouse_peptide NA peptide +PJ013176 GNRRR C24H47N15O7 657.3783 NA PeJP NA NA +PJ013177 LLQER C28H51N9O9 657.381 NA PeJP NA NA +PJ013178 VLLQW C33H51N7O7 657.385 NA PeJP NA NA +MJ089031 Pregna-5,20-dien-3-ol, 3-O-(2-Acetamido-3,4-di-O-acetyl-2-deoxy-6-O-butanoyl-?-D-galactopyranoside) C37H55NO9 657.387682 NA MeJP NA NA +MJ089032 Pregna-5,20-dien-3-ol, 3-O-(2-Acetamido-3,6-di-O-acetyl-2-deoxy-4-O-butanoyl-?-D-galactopyranoside) C37H55NO9 657.387682 NA MeJP NA NA +PJ013179 GPLLKM C30H55N7O7S 657.3884 NA PeJP NA NA +PJ013180 VVERR C27H51N11O8 657.3922 NA PeJP NA NA +PJ013181 ALLRW C32H51N9O6 657.3963 NA PeJP NA NA +PJ013182 AQKRR C26H51N13O7 657.4035 NA PeJP NA NA +PJ013183 SPTLLK C30H55N7O9 657.4061 NA PeJP NA NA +PJ013184 GVLLKE C30H55N7O9 657.4062 NA PeJP NA NA +PJ013185 LLKER C29H55N9O8 657.4174 NA PeJP NA NA +PJ013186 VLLKW C34H55N7O6 657.4214 NA PeJP NA NA +PJ013187 TLLRR C28H55N11O7 657.4286 NA PeJP NA NA +MJ089033 Pepstatins; Pepstatin PR C32H59N5O9 657.431278 NA MeJP NA NA +PJ013188 AKKRR C27H55N13O6 657.4399 NA PeJP NA NA +PJ013189 ATLLLK C31H59N7O8 657.4425 NA PeJP NA NA +PJ013190 AALKKK C30H59N9O7 657.4538 NA PeJP NA NA +PJ013191 VKKKR C29H59N11O6 657.465 NA PeJP NA NA +MJ089034 Squalamine; 24-Hydroxymethyl C35H67N3O6S 657.475057 NA MeJP NA NA +MJ089035 2-Amino-4,8-octadecadiene-1,3-diol, N-Me, N-octadecanoyl, 1-O-sulfate C37H71NO6S 657.500209 NA MeJP NA NA +MJ089036 Mercury(I) iodide (Hg2I2) Hg2I2 657.750188 NA MeJP NA NA +7032 synthetic peptide from alpha-gliadin GSFRPSQQNPQA 657.80595 MH2+ Inhouse_peptide NA peptide +FL5FAGGS0018 Myricetin 3-O-(4''-O-acetyl-2''-O-galloyl)-alpha-L-rhamnopyranoside;3-[[4-O-Acetyl-6-deoxy-2-O-(3,4,5-trihydroxybenzoyl)-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C30H26O17 658.11699 402954-90-9 knapsack NA NA +MJ089037 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3'-O-[3,4,5-Trihydroxybenzoyl-(?2)-6-O-acetyl-?-D-galactopyranoside] C30H27O17(+) 658.116999 NA MeJP NA NA +MJ089038 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[3,4,5-Trihydroxybenzoyl-(?2)-6-O-acetyl-?-D-galactopyranoside] C30H27O17(+) 658.116999 NA MeJP NA NA +PJ013192 CCCCNN C20H34N8O9S4 658.1332 NA PeJP NA NA +PJ013193 SCCCDE C21H34N6O12S3 658.1397 NA PeJP NA NA +PJ013194 PCCCCM C22H38N6O7S5 658.1406 NA PeJP NA NA +MJ089039 Edgeworthin; 6-Me ether, 7-O-[3-hydroxy-3-methylglutaroyl-(?6)-?-D-glucopyranoside] C31H30O16 658.153384 NA MeJP NA NA +PJ013195 GCCDMM C22H38N6O9S4 658.1583 NA PeJP NA NA +PJ013196 GCCDDF C25H34N6O11S2 658.1727 NA PeJP NA NA +PJ013197 SSCCEM C22H38N6O11S3 658.1761 NA PeJP NA NA +PJ013198 GCCCHH C23H34N10O7S3 658.1774 NA PeJP NA NA +MJ089040 Elloramycin A; 4-Ketone C32H34O15 658.18977 NA MeJP NA NA +MJ089041 Plumieride; 13-(4-Hydroxy-E-cinnamoyl), 6'-Ac C32H34O15 658.18977 NA MeJP NA NA +MJ089042 Plumieride; 13-(4-Hydroxy-Z-cinnamoyl), 6'-Ac C32H34O15 658.18977 NA MeJP NA NA +PJ013199 GSCDDY C25H34N6O13S 658.1905 NA PeJP NA NA +PJ013200 SPCCCF C26H38N6O8S3 658.1913 NA PeJP NA NA +PJ013201 APCCCY C26H38N6O8S3 658.1914 NA PeJP NA NA +PJ013202 GSCMMM C23H42N6O8S4 658.1947 NA PeJP NA NA +PJ013203 PPCCCH C25H38N8O7S3 658.2026 NA PeJP NA NA +MJ089043 6-Chloro-11,20-epoxy-2,8,9,12,13,14-hexahydroxy-5(16)-briaren-18,7-olide, 2,9,12,13,14-Penta-Ac C30H39ClO14 658.202833 NA MeJP NA NA +MJ089044 6-Chloro-2,8,9,11,12,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 3?,4?-Epoxide, 2,9,11,12,14-penta-Ac C30H39ClO14 658.202833 NA MeJP NA NA +PJ013204 CNEMY C26H38N6O10S2 658.2091 NA PeJP NA NA +PJ013205 SSTCMM C23H42N6O10S3 658.2125 NA PeJP NA NA +PJ013206 GCNNDH C23H34N10O11S 658.213 NA PeJP NA NA +MJ089045 Cholest-5-ene-2,3,26-triol, Trisulfate C27H46O12S3 658.215139 NA MeJP NA NA +PJ013207 GSDDEH C24H34N8O14 658.2195 NA PeJP NA NA +PJ013208 CCDRY C25H38N8O9S2 658.2203 NA PeJP NA NA +PJ013209 GPCDMH C25H38N8O9S2 658.2204 NA PeJP NA NA +MJ089046 Cryptophycin 4; 6',8'-Dichloro, O-de-Me C34H40Cl2N2O7 658.221257 NA MeJP NA NA +PJ013210 GCMYW C30H38N6O7S2 658.2244 NA PeJP NA NA +MJ089047 1,7-Bis(3,4-dihydroxyphenyl)-5-hydroxy-3-heptanone, 5-O-[4-Hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] C33H38O14 658.226155 NA MeJP NA NA +PJ013211 GSSDMY C26H38N6O12S 658.2269 NA PeJP NA NA +PJ013212 CQMMF C27H42N6O7S3 658.2277 NA PeJP NA NA +PJ013213 SDDHW C28H34N8O11 658.2347 NA PeJP NA NA +PJ013214 NEEMH C25H38N8O11S 658.2381 NA PeJP NA NA +PJ013215 CCMFR C26H42N8O6S3 658.239 NA PeJP NA NA +PJ013216 STCYW C30H38N6O9S 658.2421 NA PeJP NA NA +PJ013217 SSSSEY C26H38N6O14 658.2446 NA PeJP NA NA +PJ013218 SQMMY C27H42N6O9S2 658.2455 NA PeJP NA NA +PJ013219 CDEHR C24H38N10O10S 658.2493 NA PeJP NA NA +PJ013220 GGGGGSMH C24H38N10O10S 658.2494 NA PeJP NA NA +MJ089048 Thapoxepine A C36H38N2O10 658.252645 NA MeJP NA NA +PJ013221 GEMHW C29H38N8O8S 658.2534 NA PeJP NA NA +PJ013222 GSTEEH C25H38N8O13 658.2559 NA PeJP NA NA +PJ013223 SCMRY C26H42N8O8S2 658.2567 NA PeJP NA NA +PJ013224 NDHHH C26H34N12O9 658.2572 NA PeJP NA NA +PJ013225 GCFFW C34H38N6O6S 658.2574 NA PeJP NA NA +PJ013226 GQEYY C30H38N6O11 658.2599 NA PeJP NA NA +MJ089049 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1-Cinnamoyl, 2,6,8,9,14-penta-Ac C34H42O13 658.262541 NA MeJP NA NA +MJ089050 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Hydroxy-3-methylbutanoyl), 3-O-[4-hydroxyphenylacetyl-(?4)-?-D-glucopyranoside] C34H42O13 658.262541 NA MeJP NA NA +MJ089051 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Hydroxy-3-methylbutanoyl), 3-O-[4-hydroxyphenylacetyl-(?6)-?-D-glucopyranoside] C34H42O13 658.262541 NA MeJP NA NA +MJ089052 Rohitukin C34H42O13 658.262541 NA MeJP NA NA +PJ013227 GSTTMY C27H42N6O11S 658.2632 NA PeJP NA NA +PJ013228 GPPEEM C27H42N6O11S 658.2633 NA PeJP NA NA +PJ013229 CKMMF C28H46N6O6S3 658.2641 NA PeJP NA NA +PJ013230 SSSNQH C24H38N10O12 658.2671 NA PeJP NA NA +PJ013231 MHWW C33H38N8O5S 658.2686 NA PeJP NA NA +PJ013232 STEHW C29H38N8O10 658.2711 NA PeJP NA NA +PJ013233 DKEMH C26H42N8O10S 658.2745 NA PeJP NA NA +PJ013234 QYYW C34H38N6O8 658.2751 NA PeJP NA NA +PJ013235 PPEMW C31H42N6O8S 658.2785 NA PeJP NA NA +PJ013236 SSTTTY C27H42N6O13 658.281 NA PeJP NA NA +PJ013237 SKMMY C28H46N6O8S2 658.2819 NA PeJP NA NA +PJ013238 NNQHF C28H38N10O9 658.2823 NA PeJP NA NA +PJ013239 GGNQHF C28H38N10O9 658.2824 NA PeJP NA NA +PJ013240 SEMHR C25H42N10O9S 658.2857 NA PeJP NA NA +PJ013241 GPNWW C33H38N8O7 658.2864 NA PeJP NA NA +MJ089053 Forbagline A C37H42N2O9 658.28903 NA MeJP NA NA +MJ089054 Milliamine H C37H42N2O9 658.28903 NA MeJP NA NA +PJ013242 SVMHW C30H42N8O7S 658.2897 NA PeJP NA NA +PJ013243 GAPMHF C30H42N8O7S 658.2898 NA PeJP NA NA +PJ013244 SSSLEH C26H42N8O12 658.2922 NA PeJP NA NA +PJ013245 PEEER C26H42N8O12 658.2923 NA PeJP NA NA +MJ089055 Crassifolin C42H42O7 658.293053 NA MeJP NA NA +PJ013246 LQMMH C27H46N8O7S2 658.2931 NA PeJP NA NA +PJ013247 TQHHH C27H38N12O8 658.2936 NA PeJP NA NA +PJ013248 PVEEW C31H42N6O10 658.2963 NA PeJP NA NA +MJ089056 3,5,8,9,10,14,15-Pepluaneheptol, 3-Benzoyl, 5,8,9,14-tetra-Ac C35H46O12 658.298926 NA MeJP NA NA +MJ089057 Azadirachtanin; 14?,15?-Epoxide, 29-de-Ac, 29-(2-methylbutanoyl) C35H46O12 658.298926 NA MeJP NA NA +MJ089058 Meliatoxin B1 C35H46O12 658.298926 NA MeJP NA NA +MJ089059 Trichilin B; 12-Deoxy C35H46O12 658.298926 NA MeJP NA NA +PJ013249 SPPVEM C28H46N6O10S 658.2996 NA PeJP NA NA +PJ013250 PCHFR C29H42N10O6S 658.301 NA PeJP NA NA +PJ013251 GSPNER C25H42N10O11 658.3035 NA PeJP NA NA +PJ013252 CLMHR C26H46N10O6S2 658.3043 NA PeJP NA NA +MJ089060 Evertetrose C28H50O17 658.3048 NA MeJP NA NA +PJ013253 PNDKW C30H42N8O9 658.3075 NA PeJP NA NA +PJ013254 GTTLMH C27H46N8O9S 658.3109 NA PeJP NA NA +PJ013255 KYYW C35H42N6O7 658.3115 NA PeJP NA NA +MJ089061 Cotylenin B C33H51ClO11 658.31199 NA MeJP NA NA +MJ089062 12-Hydroxyvilasinin; 1-Cinnamoyl, 3,12-di-Ac C39H46O9 658.314183 NA MeJP NA NA +MJ089063 12-Hydroxyvilasinin; 12-Cinnamoyl, 1,3-di-Ac C39H46O9 658.314183 NA MeJP NA NA +PJ013256 NNQQR C24H42N12O10 658.3147 NA PeJP NA NA +PJ013257 AKMFY C32H46N6O7S 658.3149 NA PeJP NA NA +PJ013258 APTLEE C28H46N6O12 658.3174 NA PeJP NA NA +PJ013259 APPLMM C29H50N6O7S2 658.3183 NA PeJP NA NA +PJ013260 SPNRW C29H42N10O8 658.3187 NA PeJP NA NA +MJ089064 13,17-Dihydroxy-15-kauren-19-oic acid, 13-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester C32H50O14 658.320056 NA MeJP NA NA +MJ089065 8,11,13-Abietatriene-11,12,16,19-tetrol, 12,19-Di-O-?-D-glucopyranoside C32H50O14 658.320056 NA MeJP NA NA +MJ089066 9,13-Dihydroxy-16-kauren-19-oic acid, 13-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester C32H50O14 658.320056 NA MeJP NA NA +MJ089067 Antibiotic 15G256? C33H46N4O10 658.321393 NA MeJP NA NA +PJ013261 PQQMR C26H46N10O8S 658.3221 NA PeJP NA NA +PJ013262 GLHFW C34H42N8O6 658.3228 NA PeJP NA NA +MJ089068 ?-Truxilline C38H46N2O8 658.325416 NA MeJP NA NA +MJ089069 ?-Truxilline C38H46N2O8 658.325416 NA MeJP NA NA +PJ013263 PKMHF C31H46N8O6S 658.3261 NA PeJP NA NA +PJ013264 STTTLH C27H46N8O11 658.3286 NA PeJP NA NA +PJ013265 GGGGALLD C27H46N8O11 658.3287 NA PeJP NA NA +PJ013266 LKMMH C28H50N8O6S2 658.3295 NA PeJP NA NA +PJ013267 TKHHH C28H42N12O7 658.33 NA PeJP NA NA +PJ013268 SVKYY C32H46N6O9 658.3326 NA PeJP NA NA +PJ013269 GPPLEF C32H46N6O9 658.3327 NA PeJP NA NA +PJ013270 PCQRR C25H46N12O7S 658.3333 NA PeJP NA NA +PJ013271 GAPCRR C25H46N12O7S 658.3334 NA PeJP NA NA +MJ089070 1,3,7,11,12-Pentahydroxy-14-meliacen-28-oic acid, 12-(2-Methylbutanoyl), 1,11-di-Ac, Me ester C36H50O11 658.335312 NA MeJP NA NA +MJ089071 Sordaricin; O-[4S,5R:6S,7S-Diepoxy-2-methyl-2Z-octenoyl-(?3)-6-deoxy-4-O-methyl-?-D-altropyranoside] C36H50O11 658.335312 NA MeJP NA NA +PJ013272 GPLLEM C29H50N6O9S 658.336 NA PeJP NA NA +MJ089072 Spirostane-1,3-diol, 1-O(4-O-acetyl-?-L-fucopyranoside) C33H54O11S 658.338683 NA MeJP NA NA +MJ089073 Spirostane-1,3-diol, 1-O-(4-O-sulfo-?-L-fucopyranoside) C33H54O11S 658.338683 NA MeJP NA NA +PJ013273 VQQER C26H46N10O10 658.3399 NA PeJP NA NA +PJ013274 PTQKW C31H46N8O8 658.3439 NA PeJP NA NA +MJ089074 Lycoctonine; 18-O-(2-Ethoxycarbonylaminobenzoyl) C35H50N2O10 658.346545 NA MeJP NA NA +PJ013275 GPVQKM C28H50N8O8S 658.3473 NA PeJP NA NA +MJ089075 Dianthin B C36H46N6O6 658.347883 NA MeJP NA NA +PJ013276 PPLFW C36H46N6O6 658.3479 NA PeJP NA NA +MJ089076 Grandidone C C40H50O8 658.350568 NA MeJP NA NA +PJ013277 AQERR C25H46N12O9 658.3511 NA PeJP NA NA +PJ013278 PLLMW C33H50N6O6S 658.3513 NA PeJP NA NA +PJ013279 GVLLEE C29H50N6O11 658.3538 NA PeJP NA NA +PJ013280 GLQRW C30H46N10O7 658.3551 NA PeJP NA NA +MJ089077 1,2,3,14,20,22,25-Heptahydroxycholest-7-en-6-one, 22-O-?-D-Galactopyranoside C33H54O13 658.356441 NA MeJP NA NA +MJ089078 3,11,14-Trihydroxybufa-20,22-dienolide, 3-Succinoylarginine ester C34H50N4O9 658.357779 NA MeJP NA NA +PJ013281 PQKMR C27H50N10O7S 658.3585 NA PeJP NA NA +PJ013282 GDRRR C24H46N14O8 658.3623 NA PeJP NA NA +PJ013283 LLEER C28H50N8O10 658.365 NA PeJP NA NA +2803 PEP inhibitor LPPPVH 658.366 NA Inhouse_peptide NA peptide +2804 PEP inhibitor PPPVHL 658.366 NA Inhouse_peptide NA peptide +2806 PEP inhibitor HLPPPV 658.366 NA Inhouse_peptide NA peptide +3517 ACE inhibitor PPPVHL 658.366 ACE inhibitor Inhouse_peptide NA peptide +3527 ACE inhibitor VHLPPP 658.366 ACE inhibitor Inhouse_peptide NA peptide +PJ013284 AARRW C29H46N12O6 658.3664 NA PeJP NA NA +PJ013285 VLLEW C33H50N6O8 658.369 NA PeJP NA NA +PJ013286 PCKRR C26H50N12O6S 658.3697 NA PeJP NA NA +MJ089079 2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 2,3,23-Tri-Ac, 28-Me ester C37H54O10 658.371697 NA MeJP NA NA +MJ089080 22,23-Dihydroxymilbemycin ?1; O5-Me, 23-O-(2-methylbutanoyl) C37H54O10 658.371697 NA MeJP NA NA +MJ089081 24,25-Epoxy-3,12-dihydroxycycloart-7-ene-16,23-dione, 3-O-?-D-Xylopyranoside, 12-Ac C37H54O10 658.371697 NA MeJP NA NA +MJ089082 Acteol; 26-Deoxy, 7,8-didehydro, 3-O-?-D-xylopyranoside, 12-Ac C37H54O10 658.371697 NA MeJP NA NA +PJ013287 SPVLLM C30H54N6O8S 658.3724 NA PeJP NA NA +PJ013288 LNKER C27H50N10O9 658.3762 NA PeJP NA NA +PJ013289 VQKER C27H50N10O9 658.3763 NA PeJP NA NA +PJ013290 PTKKW C32H50N8O7 658.3803 NA PeJP NA NA +PJ013291 GPVKKM C29H54N8O7S 658.3837 NA PeJP NA NA +PJ013292 AKERR C26H50N12O8 658.3875 NA PeJP NA NA +PJ013293 ATLLLE C30H54N6O10 658.3902 NA PeJP NA NA +PJ013294 GLKRW C31H50N10O6 658.3915 NA PeJP NA NA +MJ089083 Furostane-1,3,4,5,22,26-hexol, 22-Me ether, 26-O-?-D-glucopyranoside C34H58O12 658.392827 NA MeJP NA NA +MJ089084 Pregnane-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-3-O-methyl-?-D-fucopyranoside] C34H58O12 658.392827 NA MeJP NA NA +PJ013295 PKKMR C28H54N10O6S 658.3949 NA PeJP NA NA +MJ089085 Incarvillateine; Bis(demethoxy) C40H54N2O6 658.398187 NA MeJP NA NA +PJ013296 ATRRR C25H50N14O7 658.3987 NA PeJP NA NA +PJ013297 AALKKE C29H54N8O9 658.4014 NA PeJP NA NA +PJ013298 GPLLLF C34H54N6O7 658.4054 NA PeJP NA NA +MJ089086 3,5,11,14,19-Pentahydroxybufa-20,22-dienolide, 3-(14-Hydroxy-7-tetradecenoyl) C38H58O9 658.408083 NA MeJP NA NA +PJ013299 GLLLLM C31H58N6O7S 658.4088 NA PeJP NA NA +PJ013300 VKKER C28H54N10O8 658.4126 NA PeJP NA NA +PJ013301 GGAAKKK C28H54N10O8 658.4127 NA PeJP NA NA +PJ013302 VVKKW C33H54N8O6 658.4167 NA PeJP NA NA +C08596 Fucoxanthin C42H58O6 658.4233 NA KEGG NA NA +MJ089087 Fucoxanthinol; 3'-Ac C42H58O6 658.423339 NA MeJP NA NA +MJ089088 Isofucoxanthinol; 3'-Ac C42H58O6 658.423339 NA MeJP NA NA +HMDB02741 Fucoxanthin C42H58O6 658.42334 http://www.hmdb.ca/metabolites/HMDB02741 HMDB NA NA +HMDB02741 Fucoxanthin C42H58O6 658.42334 HMDB02741 PFEM_hmdb_metabocards_official NA NA +HMDB02741 Fucoxanthin C42H58O6 658.42334 NA HMDB2010 NA NA +PJ013303 SLKRR C27H54N12O7 658.4239 NA PeJP NA NA +PJ013304 STLLLL C31H58N6O9 658.4265 NA PeJP NA NA +PJ013305 STILLL C31H58N6O9 658.4266 NA PeJP NA NA +MJ089089 Antibiotic X 14873A C35H62O11 658.429212 NA MeJP NA NA +PJ013306 GTLLKK C30H58N8O8 658.4378 NA PeJP NA NA +PJ013307 QKKKK C29H58N10O7 658.449 NA PeJP NA NA +MJ089090 Argiopinin IV; 4'',9'-Di-Me C33H58N10O4 658.46425 NA MeJP NA NA +PJ013308 KKKKK C30H62N10O6 658.4854 NA PeJP NA NA +MJ089091 Coenzyme Q; Coenzyme Q7 C44H66O4 658.49611 NA MeJP NA NA +MJ089092 1(19),7,10,12-Xenecatetraene-6,14,17,18-tetrol, 17-Nonadecanoyl, 18-Ac C41H70O6 658.517239 NA MeJP NA NA +MJ089093 12,14-Labdadiene-1,8,18-triol, 18-Eicosanoyl, 1-Ac C42H74O5 658.553625 NA MeJP NA NA +MJ089094 3,22,23-Trihydroxyergostan-6-one, 3-O-Tetradecanoyl C42H74O5 658.553625 NA MeJP NA NA +7464 coeliac toxic peptide LGQGSFRPSQQN 658.81395 MH2+ Inhouse_peptide NA peptide +2730 renin inhibitor PHPFHFFVYK 658.8245 MH2+ Inhouse_peptide NA peptide +MJ089095 3-[1-[[3-[[5-[(4-Azido-2-hydroxy-5-iodobenzoyl)amino]pentyl]hydroxyphosphinyl]-2-hydroxypropyl]amino]ethyl]benzoic acid C24H31IN5O7P 659.100578 NA MeJP NA NA +MJ089096 Cephamycin B; O-Sulfate C25H29N3O14S2 659.109094 NA MeJP NA NA +PJ013309 CCCCND C20H33N7O10S4 659.1172 NA PeJP NA NA +FL7AAGGA0014 Delphinidin 3-O-(2''-O-galloyl-6''-O-acetyl-beta-galactopyranoside) C30H27O17 659.12482 197250-30-9 knapsack NA NA +FL7AAGGS0007 Delphinidin 3'-O-(2''-O-galloyl-6''-O-acetyl-beta-galactopyranoside) C30H27O17 659.12482 - knapsack NA NA +PJ013310 SCCCNM C21H37N7O9S4 659.1536 NA PeJP NA NA +PJ013311 GSSTCCC C21H37N7O11S3 659.1713 NA PeJP NA NA +PJ013312 GCCCQF C25H37N7O8S3 659.1866 NA PeJP NA NA +PJ013313 SSSSSCC C21H37N7O13S2 659.1891 NA PeJP NA NA +PJ013314 TCCCCK C22H41N7O8S4 659.19 NA PeJP NA NA +PJ013315 CDEMY C26H37N5O11S2 659.1931 NA PeJP NA NA +PJ013316 GCNDDH C23H33N9O12S 659.197 NA PeJP NA NA +C12049 Neocarzinostatin chromophore C35H33NO12 659.2003 NA KEGG NA NA +PJ013317 GSCCQY C25H37N7O10S2 659.2044 NA PeJP NA NA +PJ013318 CEMMF C27H41N5O8S3 659.2117 NA PeJP NA NA +PJ013319 SPCCNH C24H37N9O9S2 659.2156 NA PeJP NA NA +PJ013320 SSSCNY C25H37N7O12S 659.2221 NA PeJP NA NA +PJ013321 GCCCKF C26H41N7O7S3 659.223 NA PeJP NA NA +PJ013322 PCDYY C30H37N5O10S 659.2261 NA PeJP NA NA +PJ013323 SEMMY C27H41N5O10S2 659.2295 NA PeJP NA NA +PJ013324 GSNDMH C24H37N9O11S 659.2334 NA PeJP NA NA +PJ013325 CNNFY C29H37N7O9S 659.2374 NA PeJP NA NA +PJ013326 GPNDEE C25H37N7O14 659.2399 NA PeJP NA NA +PJ013327 GSCCKY C26H41N7O9S2 659.2407 NA PeJP NA NA +PJ013328 DDHHH C26H33N11O10 659.2412 NA PeJP NA NA +PJ013329 GEEYY C30H37N5O12 659.2439 NA PeJP NA NA +PJ013330 PCMFY C31H41N5O7S2 659.2448 NA PeJP NA NA +PJ013331 CLMMY C28H45N5O7S3 659.2481 NA PeJP NA NA +PJ013332 SCQHW C28H37N9O8S 659.2486 NA PeJP NA NA +PJ013333 SSSNEH C24H37N9O13 659.2511 NA PeJP NA NA +PJ013334 NQMMH C25H41N9O8S2 659.252 NA PeJP NA NA +PJ013335 PNDEW C29H37N7O11 659.2551 NA PeJP NA NA +MJ089097 Antibiotic DF 4466A C33H41NO13 659.25779 NA MeJP NA NA +MJ089098 Carminomycin II C33H41NO13 659.25779 NA MeJP NA NA +PJ013336 SPPNDM C26H41N7O11S 659.2585 NA PeJP NA NA +PJ013337 EYYW C34H37N5O9 659.2591 NA PeJP NA NA +PJ013338 GNNNNQ C23H37N11O12 659.2623 NA PeJP NA NA +PJ013339 GGGGGNNQ C23H37N11O12 659.2624 NA PeJP NA NA +PJ013340 SPMYY C31H41N5O9S 659.2625 NA PeJP NA NA +PJ013341 CNMHR C24H41N11O7S2 659.2632 NA PeJP NA NA +MJ089099 Validamycin C C26H45NO18 659.263663 NA MeJP NA NA +MJ089100 Validamycin F C26H45NO18 659.263663 NA MeJP NA NA +MJ089101 Validoxylamine B; 6-Deoxy, 4-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] C26H45NO18 659.263663 NA MeJP NA NA +MJ089102 Validoxylamine B; 6-Deoxy, 4-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C26H45NO18 659.263663 NA MeJP NA NA +PJ013342 GSSSHW C28H37N9O10 659.2664 NA PeJP NA NA +PJ013343 GSTQMH C25H41N9O10S 659.2697 NA PeJP NA NA +PJ013344 GGGGGPQM C25H41N9O10S 659.2698 NA PeJP NA NA +PJ013345 GPDWW C33H37N7O8 659.2704 NA PeJP NA NA +PJ013346 GPPTCW C30H41N7O8S 659.2738 NA PeJP NA NA +PJ013347 GPTQEE C26H41N7O13 659.2763 NA PeJP NA NA +PJ013348 LEMMH C27H45N7O8S2 659.2771 NA PeJP NA NA +PJ013349 TEHHH C27H37N11O9 659.2776 NA PeJP NA NA +PJ013350 PCFFF C35H41N5O6S 659.2778 NA PeJP NA NA +PJ013351 SVEYY C31H41N5O11 659.2803 NA PeJP NA NA +PJ013352 GSTCHR C24H41N11O9S 659.281 NA PeJP NA NA +PJ013353 CLMFF C32H45N5O6S2 659.2811 NA PeJP NA NA +PJ013354 GNHFW C32H37N9O7 659.2816 NA PeJP NA NA +3519 ACE inhibitor from as1-CN AYFYP 659.283 ACE inhibitor Inhouse_peptide NA peptide +PJ013355 SCKHW C29H41N9O7S 659.285 NA PeJP NA NA +PJ013356 GSPDER C25H41N9O12 659.2875 NA PeJP NA NA +PJ013357 GPPCMR C26H45N9O7S2 659.2884 NA PeJP NA NA +PJ013358 PTQEW C30H41N7O10 659.2915 NA PeJP NA NA +PJ013359 GPVQEM C27H45N7O10S 659.2949 NA PeJP NA NA +PJ013360 APFYY C35H41N5O8 659.2955 NA PeJP NA NA +PJ013361 VMHHH C28H41N11O6S 659.2962 NA PeJP NA NA +PJ013362 SSSSHR C24H41N11O11 659.2987 NA PeJP NA NA +PJ013363 GGGGGAER C24H41N11O11 659.2988 NA PeJP NA NA +C14053 9,10-Dihydroergocornine methanesulfonate C31H41N5O5 659.2989 NA KEGG NA NA +PJ013364 ALMYY C32H45N5O8S 659.2989 NA PeJP NA NA +PJ013365 SPDRW C29H41N9O9 659.3027 NA PeJP NA NA +PJ013366 GAAQQW C29H41N9O9 659.3028 NA PeJP NA NA +PJ013367 PQEMR C26H45N9O9S 659.3061 NA PeJP NA NA +PJ013368 APTWW C34H41N7O7 659.3068 NA PeJP NA NA +PJ013369 PVQMW C31H45N7O7S 659.3101 NA PeJP NA NA +PJ013370 GGPLMW C31H45N7O7S 659.3102 NA PeJP NA NA +PJ013371 APTDKE C27H45N7O12 659.3126 NA PeJP NA NA +PJ013372 GPTKEE C27H45N7O12 659.3127 NA PeJP NA NA +PJ013373 GPPKMM C28H49N7O7S2 659.3135 NA PeJP NA NA +PJ013374 GNQRW C28H41N11O8 659.314 NA PeJP NA NA +PJ013375 TTLYY C32H45N5O10 659.3167 NA PeJP NA NA +PJ013376 PCERR C25H45N11O8S 659.3174 NA PeJP NA NA +PJ013377 APMRW C30H45N9O6S 659.3214 NA PeJP NA NA +PJ013378 VQEER C26H45N9O11 659.3239 NA PeJP NA NA +PJ013379 PNHHR C27H41N13O7 659.3252 NA PeJP NA NA +PJ013380 PTKEW C31H45N7O9 659.3279 NA PeJP NA NA +MJ089103 4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-(4-methoxybenzoyl), 8-Ac C35H49NO11 659.330561 NA MeJP NA NA +MJ089104 Veracevine; O3-(4-Hydroxy-3-methoxybenzoyl) C35H49NO11 659.330561 NA MeJP NA NA +MJ089105 Yunaconitine C35H49NO11 659.330561 NA MeJP NA NA +PJ013381 GPVKEM C28H49N7O9S 659.3313 NA PeJP NA NA +PJ013382 ALFFY C36H45N5O7 659.3319 NA PeJP NA NA +HMDB02429 (3a,5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronic acid C32H53NO11S 659.33392 http://www.hmdb.ca/metabolites/HMDB02429 HMDB NA NA +HMDB02429 (3a,5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronic acid C32H53NO11S 659.33392 HMDB02429 PFEM_hmdb_metabocards_official NA NA +HMDB02429 (3a,5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronic acid C32H53NO11S 659.333923 NA HMDB2010 NA NA +PJ013383 AEERR C25H45N11O10 659.3351 NA PeJP NA NA +PJ013384 GLERW C30H45N9O8 659.3391 NA PeJP NA NA +PJ013385 GGGGVKW C30H45N9O8 659.3392 NA PeJP NA NA +PJ013386 PKEMR C27H49N9O8S 659.3425 NA PeJP NA NA +PJ013387 GVLWW C35H45N7O6 659.3432 NA PeJP NA NA +PJ013388 SNQRR C24H45N13O9 659.3463 NA PeJP NA NA +PJ013389 GGSQRR C24H45N13O9 659.3464 NA PeJP NA NA +PJ013390 PVKMW C32H49N7O6S 659.3465 NA PeJP NA NA +PJ013391 AALKEE C28H49N7O11 659.349 NA PeJP NA NA +PJ013392 GNKRW C29H45N11O7 659.3504 NA PeJP NA NA +PJ013393 PTMRR C26H49N11O7S 659.3537 NA PeJP NA NA +PJ013394 LRWW C34H45N9O5 659.3544 NA PeJP NA NA +PJ013395 VKEER C27H49N9O10 659.3603 NA PeJP NA NA +PJ013396 VVKEW C32H49N7O8 659.3643 NA PeJP NA NA +MJ089106 Antibiotic L 681217 C36H53NO10 659.366946 NA MeJP NA NA +MJ089107 Ganefromycin ?; 23?-Hydroxy C36H53NO10 659.366946 NA MeJP NA NA +PJ013397 APTLKM C29H53N7O8S 659.3677 NA PeJP NA NA +PJ013398 SLERR C26H49N11O9 659.3715 NA PeJP NA NA +PJ013399 SVLRW C31H49N9O7 659.3755 NA PeJP NA NA +MJ089108 12-Hydroxy-7-(1-methylethyl)-6,9-dioxo-13-(phenylmethyl)-10-[(2,3,4-trimethoxyphenyl)methyl]-2-oxa-5,8,14-triazapentadecan-15-oic acid; tert-Butyl ester C35H53N3O9 659.37818 NA MeJP NA NA +PJ013400 LLQMR C28H53N9O7S 659.3789 NA PeJP NA NA +PJ013401 SNKRR C25H49N13O8 659.3827 NA PeJP NA NA +PJ013402 GTLLKE C29H53N7O10 659.3854 NA PeJP NA NA +PJ013403 VVMRR C27H53N11O6S 659.3901 NA PeJP NA NA +PJ013404 ASTLLR C28H53N9O9 659.3966 NA PeJP NA NA +PJ013405 GTTLLR C28H53N9O9 659.3967 NA PeJP NA NA +PJ013406 TLLKW C33H53N7O7 659.4007 NA PeJP NA NA +MJ089109 Antascomicin; Antascomicin A C37H57NO9 659.403332 NA MeJP NA NA +PJ013407 ACLLLK C30H57N7O7S 659.404 NA PeJP NA NA +PJ013408 GVLLKM C30H57N7O7S 659.4041 NA PeJP NA NA +PJ013409 TQKKR C27H53N11O8 659.4079 NA PeJP NA NA +PJ013410 AKKKW C32H53N9O6 659.4119 NA PeJP NA NA +PJ013411 LLKMR C29H57N9O6S 659.4153 NA PeJP NA NA +PJ013412 SSLLLK C30H57N7O9 659.4218 NA PeJP NA NA +C13929 Argiotoxin 659 C31H53N11O5 659.4231 NA KEGG NA NA +C13930 Transferred to D02165 C31H53N11O5 659.4231 NA KEGG NA NA +MJ089110 Argiotoxin 659 C31H53N11O5 659.423113 NA MeJP NA NA +PJ013413 KKKKE C29H57N9O8 659.433 NA PeJP NA NA +C08922 Aridanin C38H61NO8 659.4397 NA KEGG NA NA +MJ089111 Lansiolic acid; 3-(N-Acetyl-?-D-glucosaminide) C38H61NO8 659.439717 NA MeJP NA NA +MJ089112 Oleanolic acid 3-glycosides; Monoglycosides, 3-O-(2-Acetamido-2-deoxy-?-D-glucopyranoside) C38H61NO8 659.439717 NA MeJP NA NA +PJ013414 TKKKR C28H57N11O7 659.4443 NA PeJP NA NA +HMDB08858 PE(14:1(9Z)/16:1(9Z)) C35H66NO8P 659.452576 NA HMDB2010 NA NA +HMDB08954 PE(16:1(9Z)/14:1(9Z)) C35H66NO8P 659.452576 NA HMDB2010 NA NA +MJ089113 Acidissiminol; O-Octadecanoyl C43H65NO4 659.491359 NA MeJP NA NA +MJ089114 29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-Deoxy, 35-(ornithylamino) C40H73N3O4 659.560107 NA MeJP NA NA +MJ089115 myo-Inositol; Hexaphosphate C6H18O24P6 659.86137 NA MeJP NA NA +MJ089116 myo-Inositol hexakisphosphate C6H18O24P6 659.86137 NA MeJP NA NA +MetaCyc04017 diphosphoinositol tetrakisphosphate [5-PP-InsP4;] C6H18O24P6 659.861371 NA metacyc NA NA +HMDB03502 Myo-inositol hexakisphosphate C6H18O24P6 659.861389 NA HMDB2010 NA NA +HMDB03502 myo-Inositol hexakisphosphate C6H18O24P6 659.86139 http://www.hmdb.ca/metabolites/HMDB03502 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03502 myo-Inositol hexakisphosphate C6H18O24P6 659.86139 http://www.hmdb.ca/metabolites/HMDB03502 HMDB NA NA +HMDB06230 Diphosphoinositol tetrakisphosphate C6H18O24P6 659.86139 http://www.hmdb.ca/metabolites/HMDB06230 HMDB NA NA +HMDB03502 myo-Inositol hexakisphosphate C6H18O24P6 659.86139 http://www.hmdb.ca/metabolites/HMDB03502 PFEM_hmdb_metabocards_blood NA blood +HMDB03502 myo-Inositol hexakisphosphate C6H18O24P6 659.86139 HMDB03502 PFEM_hmdb_metabocards_official NA NA +HMDB06230 Diphosphoinositol tetrakisphosphate C6H18O24P6 659.86139 HMDB06230 PFEM_hmdb_metabocards_official NA NA +C01204 myo-Inositol hexakisphosphate C6H18O24P6 659.8614 NA KEGG NA NA +PJ013415 CCCCDD C20H32N6O11S4 660.1012 NA PeJP NA NA +PJ013416 SCCCDM C21H36N6O10S4 660.1376 NA PeJP NA NA +PJ013417 ACCCMM C22H40N6O7S5 660.1562 NA PeJP NA NA +MJ089117 3,4-Di-O-caffeoylquinic acid; 5-O-(3-Hydroxy-3-methylglutaroyl) C31H32O16 660.169034 NA MeJP NA NA +MJ089118 3,5-Di-O-caffeoylquinic acid; 4-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl) C31H32O16 660.169034 NA MeJP NA NA +PJ013418 GCCCEF C25H36N6O9S3 660.1706 NA PeJP NA NA +MJ089119 Hexafluorenium(2+); Dibromide C36H42Br2N2 660.171474 NA MeJP NA NA +PJ013419 SSCCMM C22H40N6O9S4 660.174 NA PeJP NA NA +PJ013420 GCDDDH C23H32N8O13S 660.181 NA PeJP NA NA +FL63ACNN0001 Isophylloflavanine C35H32O13 660.18429 124902-14-3 knapsack NA NA +FL63ACNN0002 Phylloflavanine C35H32O13 660.18429 113296-20-1 knapsack NA NA +MJ089120 Isophylloflavanine C35H32O13 660.184291 NA MeJP NA NA +MJ089121 Phylloflavanine C35H32O13 660.184291 NA MeJP NA NA +MJ089122 Pseudotsuganol C35H32O13 660.184291 NA MeJP NA NA +PJ013421 CCCFW C29H36N6O6S3 660.1859 NA PeJP NA NA +PJ013422 GSCCEY C25H36N6O11S2 660.1884 NA PeJP NA NA +PJ013423 SPCCDH C24H36N8O10S2 660.1996 NA PeJP NA NA +PJ013424 SCCYW C29H36N6O8S2 660.2036 NA PeJP NA NA +C12381 Elloramycin A C32H36O15 660.2054 NA KEGG NA NA +MJ089123 1,7-Bis(3,4-dihydroxyphenyl)-5-hydroxy-3-heptanone, 5-O-[6-O-(3,4,5-Trihydroxybenzoyl)-?-D-glucopyranoside] C32H36O15 660.20542 NA MeJP NA NA +MJ089124 Elloramycin A C32H36O15 660.20542 NA MeJP NA NA +PJ013425 SSSCDY C25H36N6O13S 660.2061 NA PeJP NA NA +PJ013426 CNMMY C26H40N6O8S3 660.207 NA PeJP NA NA +PJ013427 GCCNQH C23H36N10O9S2 660.2108 NA PeJP NA NA +PJ013428 GGGCCQH C23H36N10O9S2 660.2109 NA PeJP NA NA +PJ013429 GSDDMH C24H36N8O12S 660.2174 NA PeJP NA NA +PJ013430 APCCMH C25H40N8O7S3 660.2182 NA PeJP NA NA +MJ089125 Tricholomenyne D; 1-Ketone C36H36O12 660.220676 NA MeJP NA NA +MJ089126 Tricholomenyne E C36H36O12 660.220676 NA MeJP NA NA +PJ013431 CNDFY C29H36N6O10S 660.2214 NA PeJP NA NA +PJ013432 GPDDEE C25H36N6O15 660.2239 NA PeJP NA NA +PJ013433 GSTCMY C26H40N6O10S2 660.2248 NA PeJP NA NA +PJ013434 SSCNNH C23H36N10O11S 660.2286 NA PeJP NA NA +MJ089127 Cholestane-2,3,26-triol, Trisulfate C27H48O12S3 660.230789 NA MeJP NA NA +MJ089128 Cholestane-2,3,6-triol, Tri-O-sulfate C27H48O12S3 660.230789 NA MeJP NA NA +MJ089129 Vincosamide; 3'-(3,4-Dihydroxycinnamoyl) C35H36N2O11 660.23191 NA MeJP NA NA +PJ013435 SCEHW C28H36N8O9S 660.2326 NA PeJP NA NA +PJ013436 SSSDEH C24H36N8O14 660.2351 NA PeJP NA NA +MJ089130 Lespedezol B3 C40H36O9 660.235932 NA MeJP NA NA +PJ013437 NEMMH C25H40N8O9S2 660.236 NA PeJP NA NA +PJ013438 PDDEW C29H36N6O12 660.2391 NA PeJP NA NA +PJ013439 CNMFF C30H40N6O7S2 660.24 NA PeJP NA NA +FL5FABGI0005 Anhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside C33H40O14 660.2418 135293-13-9 knapsack NA NA +MJ089131 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside] C33H40O14 660.241805 NA MeJP NA NA +PJ013440 SSSSMY C26H40N6O12S 660.2425 NA PeJP NA NA +PJ013441 GNNNNE C23H36N10O13 660.2464 NA PeJP NA NA +PJ013442 CDMHR C24H40N10O8S2 660.2472 NA PeJP NA NA +PJ013443 NDEHF C28H36N8O11 660.2504 NA PeJP NA NA +MJ089132 Lyngbyaloside C31H49BrO10 660.25091 NA MeJP NA NA +PJ013444 GMMHW C29H40N8O6S2 660.2512 NA PeJP NA NA +MJ089133 Dolastatin 3 C29H40N8O6S2 660.251222 NA MeJP NA NA +MJ089134 Mappicine, 9-Methoxy, O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C32H40N2O13 660.253039 NA MeJP NA NA +PJ013445 APCNQE C25H40N8O11S 660.2537 NA PeJP NA NA +MJ089135 Cephabacin H; Cephabacin H4 C25H40N8O11S 660.253724 NA MeJP NA NA +PJ013446 GSTEMH C25H40N8O11S 660.2538 NA PeJP NA NA +PJ013447 CQHHH C26H36N12O7S 660.2551 NA PeJP NA NA +MJ089136 Calyflorenone B; 4-Me ether C37H40O11 660.257062 NA MeJP NA NA +PJ013448 GQMYY C30H40N6O9S 660.2578 NA PeJP NA NA +PJ013449 GPTEEE C26H40N6O14 660.2603 NA PeJP NA NA +PJ013450 GPPEMM C27H44N6O9S2 660.2611 NA PeJP NA NA +PJ013451 APPDMM C27H44N6O9S2 660.2612 NA PeJP NA NA +PJ013452 NNNNW C27H36N10O10 660.2616 NA PeJP NA NA +PJ013453 GPCNDR C24H40N10O10S 660.265 NA PeJP NA NA +PJ013454 GDHFW C32H36N8O8 660.2656 NA PeJP NA NA +PJ013455 STMHW C29H40N8O8S 660.269 NA PeJP NA NA +PJ013456 SSTTEH C25H40N8O13 660.2715 NA PeJP NA NA +PJ013457 DKMMH C26H44N8O8S2 660.2724 NA PeJP NA NA +PJ013458 GSSHHH C26H36N12O9 660.2729 NA PeJP NA NA +PJ013459 PTEEW C30H40N6O11 660.2755 NA PeJP NA NA +PJ013460 PPMMW C31H44N6O6S2 660.2764 NA PeJP NA NA +MJ089137 Taccalonolide B C34H44O13 660.278191 NA MeJP NA NA +MJ089138 Taccalonolide F C34H44O13 660.278191 NA MeJP NA NA +MJ089139 Taccalonolide I C34H44O13 660.278191 NA MeJP NA NA +MJ089140 Trichilin B; 29-Deacyl, 29-(2-methylpropanoyl), 3-O-de-Ac, 12-Ac C34H44O13 660.278191 NA MeJP NA NA +PJ013461 GPVEEM C27H44N6O11S 660.2789 NA PeJP NA NA +PJ013462 APPCHH C28H40N10O7S 660.2803 NA PeJP NA NA +PJ013463 NNEER C24H40N10O12 660.2827 NA PeJP NA NA +PJ013464 GGNEER C24H40N10O12 660.2828 NA PeJP NA NA +PJ013465 SMMHR C25H44N10O7S2 660.2836 NA PeJP NA NA +MJ089141 ?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-6-deoxy-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-D-arabino-hexose; ?-D-Pyranose-form, Me glycoside, 3,3'-di-Me C27H48O18 660.284064 NA MeJP NA NA +PJ013466 AQQEW C29H40N8O10 660.2868 NA PeJP NA NA +PJ013467 PEEMR C26H44N8O10S 660.2901 NA PeJP NA NA +PJ013468 GGGPDKM C26H44N8O10S 660.2902 NA PeJP NA NA +PJ013469 PPDFW C34H40N6O8 660.2908 NA PeJP NA NA +PJ013470 CKHHH C27H40N12O6S 660.2915 NA PeJP NA NA +PJ013471 GSNNNR C23H40N12O11 660.294 NA PeJP NA NA +PJ013472 GKMYY C31H44N6O8S 660.2941 NA PeJP NA NA +PJ013473 PVEMW C31H44N6O8S 660.2942 NA PeJP NA NA +PJ013474 AALEEE C27H44N6O13 660.2967 NA PeJP NA NA +PJ013475 SPPVMM C28H48N6O8S2 660.2975 NA PeJP NA NA +PJ013476 GNERW C28H40N10O9 660.298 NA PeJP NA NA +PJ013477 GSPNMR C25H44N10O9S 660.3014 NA PeJP NA NA +PJ013478 AAQWW C33H40N8O7 660.302 NA PeJP NA NA +PJ013479 PCQKW C30H44N8O7S 660.3054 NA PeJP NA NA +PJ013480 VEEER C26H44N8O12 660.3079 NA PeJP NA NA +7445 coeliac toxic peptide SSQVSFQPSQLN 660.30845 MH2+ Inhouse_peptide NA peptide +PJ013481 PDHHR C27H40N12O8 660.3092 NA PeJP NA NA +PJ013482 VVEEW C31H44N6O10 660.3119 NA PeJP NA NA +PJ013483 NRWW C32H40N10O6 660.3132 NA PeJP NA NA +PJ013484 GGRWW C32H40N10O6 660.3133 NA PeJP NA NA +MJ089142 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1,2-Bis(2-methylpropanoyl), 9-benzoyl, 6,14-di-Ac C35H48O12 660.314577 NA MeJP NA NA +PJ013485 APTLEM C28H48N6O10S 660.3153 NA PeJP NA NA +C03263 Coproporphyrinogen III C36H44N4O8 660.3159 NA KEGG NA NA +C05768 Coproporphyrinogen I C36H44N4O8 660.3159 NA KEGG NA NA +MJ089143 Coproporphyrinogen I C36H44N4O8 660.315914 NA MeJP NA NA +MetaCyc04018 coproporphyrinogen III [coproporphyrinogen;] C36H44N4O8 660.315914 2624-63-7 metacyc NA NA +MetaCyc04019 coproporphyrinogen I [] C36H44N4O8 660.315914 NA metacyc NA NA +HMDB01261 Coproporphyrinogen III C36H44N4O8 660.315918 NA HMDB2010 NA NA +HMDB02158 Coproporphyrinogen I C36H44N4O8 660.315918 NA HMDB2010 NA NA +HMDB01261 Coproporphyrinogen III C36H44N4O8 660.31592 http://www.hmdb.ca/metabolites/HMDB01261 HMDB NA NA +HMDB02158 Coproporphyrinogen I C36H44N4O8 660.31592 http://www.hmdb.ca/metabolites/HMDB02158 HMDB NA NA +HMDB01261 Coproporphyrinogen III C36H44N4O8 660.31592 HMDB01261 PFEM_hmdb_metabocards_official NA NA +HMDB02158 Coproporphyrinogen I C36H44N4O8 660.31592 HMDB02158 PFEM_hmdb_metabocards_official NA NA +PJ013486 AMHFR C29H44N10O6S 660.3166 NA PeJP NA NA +PJ013487 NDKER C25H44N10O11 660.3191 NA PeJP NA NA +PJ013488 AQKEW C30H44N8O9 660.3231 NA PeJP NA NA +PJ013489 GAAKEW C30H44N8O9 660.3232 NA PeJP NA NA +PJ013490 GPTQKM C27H48N8O9S 660.3265 NA PeJP NA NA +PJ013491 PPVYW C35H44N6O7 660.3272 NA PeJP NA NA +PJ013492 SNERR C24H44N12O10 660.3304 NA PeJP NA NA +PJ013493 GPPLMF C32H48N6O7S 660.3306 NA PeJP NA NA +MJ089144 Ervafoline; 19'-Hydroxy C40H44N4O5 660.33117 NA MeJP NA NA +MJ089145 Pleiocorine; N-De-Me C40H44N4O5 660.33117 NA MeJP NA NA +PJ013494 PTTTLE C28H48N6O12 660.333 NA PeJP NA NA +PJ013495 GTLLEE C28H48N6O12 660.3331 NA PeJP NA NA +PJ013496 GPLLMM C29H52N6O7S2 660.3339 NA PeJP NA NA +PJ013497 GDKRW C29H44N10O8 660.3344 NA PeJP NA NA +HMDB02318 Capsianoside I C32H52O14 660.33569 http://www.hmdb.ca/metabolites/HMDB02318 HMDB NA NA +HMDB02318 Capsianoside I C32H52O14 660.33569 HMDB02318 PFEM_hmdb_metabocards_official NA NA +HMDB02318 Capsianoside I C32H52O14 660.335693 NA HMDB2010 NA NA +MJ089146 13,16-Dihydroxy-19-kauranoic acid, 13-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester C32H52O14 660.335706 NA MeJP NA NA +MJ089147 16,17,19-Kauranetriol, 19-Carboxylic acid, 16-O-?-D-glucopyranoside, 19-O-?-D-glucopyranosyl ester C32H52O14 660.335706 NA MeJP NA NA +MJ089148 3,13-Dihydroxy-1,6,10,14-phytatetraen-16-oic acid, 3-O-[?-D-Glucopyranosyl(1?2)-D-glucopyranoside] C32H52O14 660.335706 NA MeJP NA NA +MJ089149 Lepranthin C32H52O14 660.335706 NA MeJP NA NA +PJ013498 VQQMR C26H48N10O8S 660.3377 NA PeJP NA NA +PJ013499 GGLQMR C26H48N10O8S 660.3378 NA PeJP NA NA +PJ013500 AAKWW C34H44N8O6 660.3384 NA PeJP NA NA +PJ013501 PCKKW C31H48N8O6S 660.3418 NA PeJP NA NA +PJ013502 QKKEE C27H48N8O11 660.3443 NA PeJP NA NA +PJ013503 GSRRW C28H44N12O7 660.3456 NA PeJP NA NA +PJ013504 TLLEW C32H48N6O9 660.3483 NA PeJP NA NA +PJ013505 AQMRR C25H48N12O7S 660.349 NA PeJP NA NA +MJ089150 15,16-Epoxy-1,6,16-trihydroxy-18-clerodanal, 16-Me ether, 1-cinnamoyl (E-), 6-O-?-D-glucopyranoside C36H52O11 660.350962 NA MeJP NA NA +MJ089151 15,16-Epoxy-1,6,16-trihydroxy-18-clerodanal, 16-Me ether, 1-cinnamoyl(Z-), 6-O-?-D-glucopyranoside C36H52O11 660.350962 NA MeJP NA NA +MJ089152 15,16-Epoxy-1,6,16-trihydroxy-18-clerodanal, 16-Me ether, 1-cinnamoyl(E-), 6-O-?-D-glucopyranoside C36H52O11 660.350962 NA MeJP NA NA +MJ089153 15,16-Epoxy-1,6,16-trihydroxy-18-clerodanal, 16-Me ether, 1-cinnamoyl(Z-), 6-O-?-D-glucopyranoside C36H52O11 660.350962 NA MeJP NA NA +MJ089154 2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-[4-Deoxy-?-L-threo-hex-4-enopyranuronoside] C36H52O11 660.350962 NA MeJP NA NA +MJ089155 Cucurbitacin S; 2-O-?-D-Glucopyranoside C36H52O11 660.350962 NA MeJP NA NA +MJ089156 Resiniferonol; 5?-Hydroxy, 12?-acetoxy, 6?,7?-epoxide, 14-(2E,4E-tetradecadienoyl) C36H52O11 660.350962 NA MeJP NA NA +MJ089157 Reveromycin A C36H52O11 660.350962 NA MeJP NA NA +MJ089158 Reveromycin B C36H52O11 660.350962 NA MeJP NA NA +PJ013506 GVLLEM C29H52N6O9S 660.3517 NA PeJP NA NA +PJ013507 TQKER C26H48N10O10 660.3555 NA PeJP NA NA +PJ013508 AKKEW C31H48N8O8 660.3595 NA PeJP NA NA +PJ013509 ACRRR C24H48N14O6S 660.3602 NA PeJP NA NA +PJ013510 LLEMR C28H52N8O8S 660.3629 NA PeJP NA NA +PJ013511 PVLFW C36H48N6O6 660.3636 NA PeJP NA NA +MJ089159 Gambogenin; Di-Me acetal C40H52O8 660.366218 NA MeJP NA NA +MJ089160 Rosmanoyl carnosate C40H52O8 660.366218 NA MeJP NA NA +PJ013512 SDKRR C25H48N12O9 660.3667 NA PeJP NA NA +PJ013513 GATTRR C25H48N12O9 660.3668 NA PeJP NA NA +PJ013514 VLLMW C33H52N6O6S 660.3669 NA PeJP NA NA +MJ089161 Accedinisine; 3'-Hydroxy C41H48N4O4 660.367556 NA MeJP NA NA +MJ089162 Umbellamine C41H48N4O4 660.367556 NA MeJP NA NA +MJ089163 Villalstonine C41H48N4O4 660.367556 NA MeJP NA NA +PJ013515 SSLLLE C29H52N6O11 660.3694 NA PeJP NA NA +PJ013516 ATKRW C30H48N10O7 660.3708 NA PeJP NA NA +PJ013517 VQKMR C27H52N10O7S 660.3741 NA PeJP NA NA +PJ013518 GGLKMR C27H52N10O7S 660.3742 NA PeJP NA NA +PJ013519 SSRRR C24H48N14O8 660.378 NA PeJP NA NA +PJ013520 KKKEE C28H52N8O10 660.3807 NA PeJP NA NA +PJ013521 VLHHR C29H48N12O6 660.382 NA PeJP NA NA +PJ013522 GPVLLY C33H52N6O8 660.3847 NA PeJP NA NA +PJ013523 AKMRR C26H52N12O6S 660.3854 NA PeJP NA NA +MJ089164 16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 3-O-(3-Acetyl-?-D-xylopyranoside) C37H56O10 660.387348 NA MeJP NA NA +MJ089165 16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 25-Ac, 3-O-?-D-xylopyranoside C37H56O10 660.387348 NA MeJP NA NA +MJ089166 16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 25-Ac, 3-O-?-L-arabinopyranoside C37H56O10 660.387348 NA MeJP NA NA +MJ089167 24,25-Epoxy-3,15,23-trihydroxy-7-cycloarten-16-one, 23-Ac, 3-O-?-D-xylopyranoside C37H56O10 660.387348 NA MeJP NA NA +MJ089168 24,25-Epoxy-3,15,23-trihydroxy-7-cycloarten-16-one, 23-Ac, 3-O-?-L-arabinopyranoside C37H56O10 660.387348 NA MeJP NA NA +MJ089169 3-Hydroxy-12-oleanene-28,29-dioic acid, 3-O-[2-O-Acetyl-?-D-xylopyranoside] C37H56O10 660.387348 NA MeJP NA NA +MJ089170 3-Hydroxy-12-oleanene-28,29-dioic acid, 3-O-[3-O-Acetyl-?-L-arabinopyranoside] C37H56O10 660.387348 NA MeJP NA NA +MJ089171 Acteol; 26-Deoxy, 12-Ac, 3-O-?-D-xylopyranoside C37H56O10 660.387348 NA MeJP NA NA +MJ089172 Cumindyoside A C37H56O10 660.387348 NA MeJP NA NA +PJ013524 ATLLLM C30H56N6O8S 660.3881 NA PeJP NA NA +PJ013525 TKKER C27H52N10O9 660.3919 NA PeJP NA NA +PJ013526 SLKKW C32H52N8O7 660.3959 NA PeJP NA NA +PJ013527 AALKKM C29H56N8O7S 660.3993 NA PeJP NA NA +MJ089173 Glabretal; 3-Cinnamoyl C41H56O7 660.402604 NA MeJP NA NA +MJ089174 Meliavolen C41H56O7 660.402604 NA MeJP NA NA +PJ013528 TTKRR C26H52N12O8 660.4031 NA PeJP NA NA +PJ013529 TTTLLL C30H56N6O10 660.4058 NA PeJP NA NA +PJ013530 VKKMR C28H56N10O6S 660.4105 NA PeJP NA NA +PJ013531 ATTLKK C29H56N8O9 660.417 NA PeJP NA NA +PJ013532 GVLLLF C34H56N6O7 660.4211 NA PeJP NA NA +C09153 12-O-Palmitoyl-16-hydroxyphorbol 13-acetate C38H60O9 660.4237 NA KEGG NA NA +MJ089175 3,5,11,14,19-Pentahydroxybufa-20,22-dienolide, 3-(14-Hydroxytetradecanoyl) C38H60O9 660.423733 NA MeJP NA NA +MJ089176 4,5-Epoxy-8,15-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 8-O-[4-(3S-Hydroxyoctadecanoyloxy)-2-methyl-2E-butenoyl] C38H60O9 660.423733 NA MeJP NA NA +MJ089177 4,9,12,13,16,20-Hexahydroxy-1,6-tigliadien-3-one, 12-Hexadecanoyl, 13-Ac C38H60O9 660.423733 NA MeJP NA NA +MJ089178 Concanamycin G C38H60O9 660.423733 NA MeJP NA NA +MJ089179 Saccharolidin A C38H60O9 660.423733 NA MeJP NA NA +PJ013533 LLLFR C33H56N8O6 660.4323 NA PeJP NA NA +HMDB07353 DG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C43H64O5 660.475403 NA HMDB2010 NA NA +HMDB07578 DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C43H64O5 660.475403 NA HMDB2010 NA NA +HMDB07773 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C43H64O5 660.475403 NA HMDB2010 NA NA +MJ089180 3,6-Dihydroxy-10-methylundecanoic acid, Bis(3S,6R-dihydroxy-10-methylundecanoyl) C36H68O10 660.481248 NA MeJP NA NA +3648 NA KLKLLLLLKLK~ 660.49 MH2+ Inhouse_peptide NA peptide +MJ089181 11,12-Bis(7-drimen-11-oxy)-11,12-epoxy-7-drimene C45H72O3 660.548146 NA MeJP NA NA +MJ089182 4,11,23,35,42-Hexatetracontapentaene-1,45-diyne-3,44-diol C46H76O2 660.584531 NA MeJP NA NA +MJ089183 Ergost-5-en-3-ol, 9Z,12Z,15Z-Octadecatrienoyl C46H76O2 660.584531 NA MeJP NA NA +7744 ACE inhibitor from bullfrog (R,catesbeiana) GAAELPCSADWW 660.76345 MH2+ Inhouse_peptide NA peptide +MJ089184 Cefcanel; O-L-Alanyl, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester C27H27N5O9S3 661.097089 NA MeJP NA NA +PJ013534 CCCCCQ C20H35N7O8S5 661.1151 NA PeJP NA NA +PJ013535 GSSCCCC C20H35N7O10S4 661.1329 NA PeJP NA NA +PJ013536 CCCCCK C21H39N7O7S5 661.1515 NA PeJP NA NA +PJ013537 GCCCNY C24H35N7O9S3 661.1659 NA PeJP NA NA +PJ013538 CDMMY C26H39N5O9S3 661.191 NA PeJP NA NA +PJ013539 GCCNEH C23H35N9O10S2 661.1949 NA PeJP NA NA +PJ013540 CDDFY C29H35N5O11S 661.2054 NA PeJP NA NA +PJ013541 CMMMF C27H43N5O6S4 661.2096 NA PeJP NA NA +PJ013542 CCNHW C27H35N9O7S2 661.2101 NA PeJP NA NA +C03580 3''-Adenylylspectinomycin C24H36N7O13P 661.2109 NA KEGG NA NA +C03581 3'-Phosphomononucleotides C5H10O7PR 661.2109 NA KEGG NA NA +PJ013543 SSCNDH C23H35N9O12S 661.2126 NA PeJP NA NA +PJ013544 SPNDDD C24H35N7O15 661.2191 NA PeJP NA NA +PJ013545 DEMMH C25H39N7O10S2 661.22 NA PeJP NA NA +PJ013546 SDDYY C29H35N5O13 661.2231 NA PeJP NA NA +PJ013547 CDMFF C30H39N5O8S2 661.224 NA PeJP NA NA +PJ013548 SMMMY C27H43N5O8S3 661.2274 NA PeJP NA NA +PJ013549 GNNNDE C23H35N9O14 661.2304 NA PeJP NA NA +PJ013550 GSCQMH C24H39N9O9S2 661.2312 NA PeJP NA NA +PJ013551 GCCDKH C24H39N9O9S2 661.2313 NA PeJP NA NA +C01138 Streptomycin 6-phosphate C21H40N7O15P 661.232 NA KEGG NA NA +C01139 [Acetyl-CoA carboxylase] C4H6N2O3R2 661.232 NA KEGG NA NA +C01140 alpha-D-Glucosyl-protein C6H11O6R 661.232 NA KEGG NA NA +C01141 beta-Adrenergic receptor C4H6N2O3R2 661.232 NA KEGG NA NA +C03731 Streptomycin 3''-phosphate C21H40N7O15P 661.232 NA KEGG NA NA +MJ089185 Streptomycin 6-phosphate C21H40N7O15P 661.232 NA MeJP NA NA +MetaCyc04020 streptomycin 3''-phosphate [] C21H40N7O15P1 661.232 NA metacyc NA NA +PJ013552 DDEHF C28H35N7O12 661.2344 NA PeJP NA NA +PJ013553 GPPCCW C29H39N7O7S2 661.2353 NA PeJP NA NA +PJ013554 GPNDEM C25H39N7O12S 661.2378 NA PeJP NA NA +PJ013555 CEHHH C26H35N11O8S 661.2391 NA PeJP NA NA +PJ013556 GEMYY C30H39N5O10S 661.2418 NA PeJP NA NA +PJ013557 GSCCHR C23H39N11O8S2 661.2425 NA PeJP NA NA +MJ089186 Adiposin 2 C25H43NO19 661.242928 NA MeJP NA NA +MJ089187 NS Antibiotic complex; NS2 C25H43NO19 661.242928 NA MeJP NA NA +MJ089188 NS Antibiotic complex; NS3 C25H43NO19 661.242928 NA MeJP NA NA +PJ013558 NNNDW C27H35N9O11 661.2456 NA PeJP NA NA +PJ013559 GGGGGGDW C27H35N9O11 661.2457 NA PeJP NA NA +PJ013560 GPCDDR C24H39N9O11S 661.249 NA PeJP NA NA +PJ013561 PNDMW C29H39N7O9S 661.253 NA PeJP NA NA +PJ013562 QQEEE C25H39N7O14 661.2555 NA PeJP NA NA +PJ013563 SPPCQM C26H43N7O9S2 661.2564 NA PeJP NA NA +PJ013564 MYYW C34H39N5O7S 661.257 NA PeJP NA NA +MJ089189 Paulomycin A; 4'-De-O-(2-isothiocyano-2-butenoyl) C29H43NO16 661.258184 NA MeJP NA NA +PJ013565 STEYY C30H39N5O12 661.2595 NA PeJP NA NA +PJ013566 AMMFY C31H43N5O7S2 661.2604 NA PeJP NA NA +PJ013567 NNMHF C28H39N9O8S 661.2642 NA PeJP NA NA +PJ013568 GGNMHF C28H39N9O8S 661.2643 NA PeJP NA NA +PJ013569 ASSSSSH C24H39N9O13 661.2667 NA PeJP NA NA +PJ013570 NDEER C24H39N9O13 661.2668 NA PeJP NA NA +PJ013571 SPPCCR C25H43N9O8S2 661.2676 NA PeJP NA NA +PJ013572 APCWW C33H39N7O6S 661.2683 NA PeJP NA NA +PJ013573 AQEEW C29H39N7O11 661.2708 NA PeJP NA NA +PJ013574 PMMHF C30H43N7O6S2 661.2716 NA PeJP NA NA +MJ089190 Baumycin A1; 1'' or 3''-epimer (uncertain), 8-De-Ac, 8-(1-hydroxyethyl), O-de-Me C33H43NO13 661.27344 NA MeJP NA NA +MJ089191 Baumycin A1; 8-De-Ac, 8-(1'-hydroxyethyl), de-O-Me C33H43NO13 661.27344 NA MeJP NA NA +MJ089192 Rubeomycin B C33H43NO13 661.27344 NA MeJP NA NA +PJ013575 GPTQEM C26H43N7O11S 661.2742 NA PeJP NA NA +PJ013576 GPYYY C34H39N5O9 661.2748 NA PeJP NA NA +PJ013577 LMMMH C27H47N7O6S3 661.275 NA PeJP NA NA +PJ013578 TMHHH C27H39N11O7S 661.2755 NA PeJP NA NA +PJ013579 GSNNDR C23H39N11O12 661.278 NA PeJP NA NA +PJ013580 SVMYY C31H43N5O9S 661.2782 NA PeJP NA NA +PJ013581 GDERW C28H39N9O10 661.282 NA PeJP NA NA +PJ013582 GSPDMR C25H43N9O10S 661.2854 NA PeJP NA NA +PJ013583 AAEWW C33H39N7O8 661.286 NA PeJP NA NA +PJ013584 PTQMW C30H43N7O8S 661.2894 NA PeJP NA NA +PJ013585 FFYW C38H39N5O6 661.2901 NA PeJP NA NA +PJ013586 QKEEE C26H43N7O13 661.2919 NA PeJP NA NA +PJ013587 GPVQMM C27H47N7O8S2 661.2928 NA PeJP NA NA +PJ013588 ASPNHH C27H39N11O9 661.2932 NA PeJP NA NA +PJ013589 GSPQHH C27H39N11O9 661.2933 NA PeJP NA NA +PJ013590 AMFFF C35H43N5O6S 661.2934 NA PeJP NA NA +PJ013591 NNQMR C24H43N11O9S 661.2966 NA PeJP NA NA +PJ013592 DRWW C32H39N9O7 661.2973 NA PeJP NA NA +PJ013593 PTCRW C29H43N9O7S 661.3006 NA PeJP NA NA +PJ013594 GACKHF C29H43N9O7S 661.3007 NA PeJP NA NA +PJ013595 TQEER C25H43N9O12 661.3031 NA PeJP NA NA +PJ013596 GATEER C25H43N9O12 661.3032 NA PeJP NA NA +PJ013597 PQMMR C26H47N9O7S2 661.304 NA PeJP NA NA +PJ013598 AKEEW C30H43N7O10 661.3072 NA PeJP NA NA +PJ013599 CNNRR C23H43N13O8S 661.3078 NA PeJP NA NA +PJ013600 GGCNRR C23H43N13O8S 661.3079 NA PeJP NA NA +C08655 Aconifine C34H47NO12 661.3098 NA KEGG NA NA +MJ089193 Aconifine C34H47NO12 661.309825 NA MeJP NA NA +MJ089194 Altaconitine C34H47NO12 661.309825 NA MeJP NA NA +PJ013601 GPTKEM C27H47N7O10S 661.3105 NA PeJP NA NA +PJ013602 GGGVLEM C27H47N7O10S 661.3106 NA PeJP NA NA +PJ013603 GLFYY C35H43N5O8 661.3112 NA PeJP NA NA +PJ013604 SDERR C24H43N11O11 661.3144 NA PeJP NA NA +MJ089195 Norbinaltorphimine C40H43N3O6 661.315186 NA MeJP NA NA +C18130 Norbinaltorphimine C40H43N3O6 661.3152 NA KEGG NA NA +PJ013605 PCMRR C25H47N11O6S2 661.3153 NA PeJP NA NA +PJ013606 ATERW C29H43N9O9 661.3184 NA PeJP NA NA +PJ013607 VQEMR C26H47N9O9S 661.3218 NA PeJP NA NA +PJ013608 GTLWW C34H43N7O7 661.3224 NA PeJP NA NA +PJ013609 PTKMW C31H47N7O7S 661.3258 NA PeJP NA NA +PJ013610 KKEEE C27H47N7O12 661.3283 NA PeJP NA NA +PJ013611 GPVKMM C28H51N7O7S2 661.3292 NA PeJP NA NA +PJ013612 GSPKHH C28H43N11O8 661.3296 NA PeJP NA NA +PJ013613 GGGVVHH C28H43N11O8 661.3297 NA PeJP NA NA +PJ013614 AEMRR C25H47N11O8S 661.333 NA PeJP NA NA +PJ013615 GPFRW C33H43N9O6 661.3337 NA PeJP NA NA +PJ013616 GLMRW C30H47N9O6S 661.337 NA PeJP NA NA +PJ013617 TKEER C26H47N9O11 661.3395 NA PeJP NA NA +PJ013618 PKMMR C27H51N9O6S2 661.3404 NA PeJP NA NA +PJ013619 VNHHR C27H43N13O7 661.3409 NA PeJP NA NA +PJ013620 SLKEW C31H47N7O9 661.3435 NA PeJP NA NA +PJ013621 VTKEW C31H47N7O9 661.3436 NA PeJP NA NA +MJ089196 4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O8,N-Di-Et, O1,O6,O16,O18-tetra-Me, 14-O-(4-methoxybenzoyl) C35H51NO11 661.346211 NA MeJP NA NA +MJ089197 4-Methylaconitane-1,3,6,8,13,14,16,18-octol, O1,O6,O8,O16,O18-Penta-Me, N-Et, 14-O-(3,4-dimethoxybenzoyl) C35H51NO11 661.346211 NA MeJP NA NA +MJ089198 Ganefromycin ?1 C35H51NO11 661.346211 NA MeJP NA NA +PJ013622 AALKEM C28H51N7O9S 661.3469 NA PeJP NA NA +PJ013623 TTERR C25H47N11O10 661.3508 NA PeJP NA NA +PJ013624 GHHRR C26H43N15O6 661.3521 NA PeJP NA NA +PJ013625 STLRW C30H47N9O8 661.3548 NA PeJP NA NA +PJ013626 QQKKM C27H51N9O8S 661.3581 NA PeJP NA NA +PJ013627 VKEMR C27H51N9O8S 661.3582 NA PeJP NA NA +PJ013628 VLHFF C35H47N7O6 661.3588 NA PeJP NA NA +PJ013629 VVKMW C32H51N7O6S 661.3622 NA PeJP NA NA +PJ013630 ATTLKE C28H51N7O11 661.3647 NA PeJP NA NA +PJ013631 APRRY C29H47N11O7 661.366 NA PeJP NA NA +PJ013632 SLMRR C26H51N11O7S 661.3694 NA PeJP NA NA +3584 NA GRKSSK 661.374 ACE inhibitor Inhouse_peptide NA peptide +PJ013633 SSSLLR C27H51N9O10 661.3759 NA PeJP NA NA +PJ013634 PPHRR C28H47N13O6 661.3773 NA PeJP NA NA +PJ013635 AAPLKY C32H51N7O8 661.3799 NA PeJP NA NA +PJ013636 GGGVLLF C32H51N7O8 661.38 NA PeJP NA NA +PJ013637 GTLLKM C29H55N7O8S 661.3833 NA PeJP NA NA +MJ089199 Mucronine D C37H51N5O6 661.383934 NA MeJP NA NA +MJ089200 Paliurine B; 2''-N-Me C37H51N5O6 661.383934 NA MeJP NA NA +MJ089201 Paliurine C C37H51N5O6 661.383934 NA MeJP NA NA +PJ013638 GSSKKR C26H51N11O9 661.3872 NA PeJP NA NA +PJ013639 PVKRY C31H51N9O7 661.3912 NA PeJP NA NA +PJ013640 QKKKM C28H55N9O7S 661.3945 NA PeJP NA NA +PJ013641 GAKKKM C28H55N9O7S 661.3946 NA PeJP NA NA +PJ013642 STTLLK C29H55N7O10 661.4011 NA PeJP NA NA +PJ013643 ALFRR C30H51N11O6 661.4024 NA PeJP NA NA +PJ013644 CKKKR C27H55N11O6S 661.4058 NA PeJP NA NA +PJ013645 GTTKKK C28H55N9O9 661.4123 NA PeJP NA NA +PJ013646 AALLKF C33H55N7O7 661.4163 NA PeJP NA NA +MJ089202 7,26-Dihydroxycholest-4-en-3-one, 7-O-[2-(Acetylamino)-2-deoxy-?-D-glucopyranosyl], 26-Ac C37H59NO9 661.418982 NA MeJP NA NA +C16998 Pavoninin 1 C37H59NO9 661.419 NA KEGG NA NA +PJ013647 VLKFR C32H55N9O6 661.4276 NA PeJP NA NA +PJ013648 KKKKM C29H59N9O6S 661.4309 NA PeJP NA NA +HMDB08825 PE(14:0/16:1(9Z)) C35H68NO8P 661.468262 NA HMDB2010 NA NA +HMDB08857 PE(14:1(9Z)/16:0) C35H68NO8P 661.468262 NA HMDB2010 NA NA +HMDB08921 PE(16:0/14:1(9Z)) C35H68NO8P 661.468262 NA HMDB2010 NA NA +HMDB08953 PE(16:1(9Z)/14:0) C35H68NO8P 661.468262 NA HMDB2010 NA NA +HMDB08916 PE(15:0/P-16:0) C36H72NO7P 661.504639 NA HMDB2010 NA NA +HMDB11337 PE(P-16:0/15:0) C36H72NO7P 661.504639 NA HMDB2010 NA NA +EUR1056 SM(d18:1/14:0) [M-H-CH3]- C37H76N2O6P 661.528451 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1056 SM(d18:1/14:0) [M-H-CH3]- C37H76N2O6P 661.528451 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1056 SM(d18:1/14:0) [M-H-CH3]- C37H76N2O6P 661.528451 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1056 SM(d18:1/14:0) [M-H-CH3]- C37H76N2O6P 661.528451 masses lipides attendues Inhousejuil11 NA NA +MJ089203 Iobenzamic acid C16H13I3N2O3 661.806022 NA MeJP NA NA +8294 Fatty acid synthase inhibitor EITPEKNPQLR 661.84945 MH2+ Inhouse_peptide NA peptide +MJ089204 Closantel C22H14Cl2I2N2O2 661.852169 NA MeJP NA NA +MJ089205 N-[2-[3,5-Dibromo-4-[3-[(3-methyl-1-oxo-2-butenyl)amino]propoxy]phenyl]ethyl]-4-hydroxybenzeneacetamide; Diiodo analogue C24H28I2N2O4 662.013844 NA MeJP NA NA +MJ089206 Secoemestrin C C27H22N2O10S4 662.015727 NA MeJP NA NA +PJ013649 CCCCCE C20H34N6O9S5 662.0991 NA PeJP NA NA +MJ089207 Quinic acid, 3,4,5-Tris(3,4,5-trihydroxybenzoyl), Me ester C29H26O18 662.111914 NA MeJP NA NA +PJ013650 TCCCCM C21H38N6O8S5 662.1355 NA PeJP NA NA +PJ013651 GCCCDY C24H34N6O10S3 662.1499 NA PeJP NA NA +MJ089208 Versetamide; Gd complex C20H34GdN5O10 662.154667 NA MeJP NA NA +FL5FAAGS0057 Kaempferol 3-(2'',3''-diacetyl-4''-p-coumarylrhamnoside C34H30O14 662.16355 128941-61-7 knapsack NA NA +MJ089209 3,4',5,7-Tetrahydroxyflavone; 3-O-[4-Hydroxycinnamoyl-(?4)-2,3-di-O-acetyl-?-L-rhamnopyranoside] C34H30O14 662.163555 NA MeJP NA NA +MJ089210 Viriditoxin C34H30O14 662.163555 NA MeJP NA NA +PJ013652 GCCCMF C25H38N6O7S4 662.1685 NA PeJP NA NA +PJ013653 GCCDEH C23H34N8O11S2 662.1789 NA PeJP NA NA +FL3FAACS0091 Vitexin 3''',4'''-Di-O-acetyl 2''-O-rhamnoside C31H34O16 662.18468 212050-31-2 knapsack NA NA +FL5FAAGS0123 Kaempferol 3-(2'',3''-diacetylrhamnoside)-7-rhamnoside;Crassirhizomoside C;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3-[(2,3-di-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C31H34O16 662.18468 349654-87-1 knapsack NA NA +MJ089211 1,3,6-Trihydroxy-2-methylanthraquinone; 3-O-[3,6-Di-O-acetyl-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C31H34O16 662.184685 NA MeJP NA NA +MJ089212 1,3,6-Trihydroxy-2-methylanthraquinone; 3-O-[4,6-Di-O-acetyl-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C31H34O16 662.184685 NA MeJP NA NA +MJ089213 1,3,8-Trihydroxy-6-methylanthraquinone; 1-O-?-D-Glucopyranoside, 3-O-[2,3-di-O-acetyl-?-L-rhamnopyranoside] C31H34O16 662.184685 NA MeJP NA NA +MJ089214 3-Hydroxy-2H-1-benzopyran-2-one; O-[5-O-(4-Hydroxy-3,5-dimethoxycinnamoyl)-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C31H34O16 662.184685 NA MeJP NA NA +MJ089215 Vitexin; 2''-(3,4-Di-O-acetyl-?-L-rhamnopyranosyl) C31H34O16 662.184685 NA MeJP NA NA +MJ089216 ?-Rhamnoisorobin; 3-O-(2,3-Di-O-acetyl-?-L-rhamnopyranoside) C31H34O16 662.184685 NA MeJP NA NA +MJ089217 ?-Rhamnoisorobin; 3-O-(2,4-Di-O-acetyl-?-L-rhamnopyranoside) C31H34O16 662.184685 NA MeJP NA NA +MJ089218 ?-Rhamnoisorobin; 3-O-(3,4-Di-O-acetyl-?-L-rhamnopyranoside) C31H34O16 662.184685 NA MeJP NA NA +PJ013654 GSCCMY C25H38N6O9S3 662.1863 NA PeJP NA NA +PJ013655 CCDHW C27H34N8O8S2 662.1941 NA PeJP NA NA +PJ013656 SSCDDH C23H34N8O13S 662.1966 NA PeJP NA NA +PJ013657 PTCCCH C24H38N8O8S3 662.1975 NA PeJP NA NA +PJ013658 SPDDDD C24H34N6O16 662.2032 NA PeJP NA NA +PJ013659 SSTCCY C25H38N6O11S2 662.204 NA PeJP NA NA +MJ089219 7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one; 8-O-(Rhamnosylrhamnosylglucopyranoside) C28H38O18 662.205814 NA MeJP NA NA +MJ089220 6-Chloro-4,8-epoxy-2,4,9,12,14-pentahydroxy-5(16)-briaren-18,7-olide; 12-Benzoyl, 2,9,14-tri-Ac C33H39ClO12 662.213004 NA MeJP NA NA +PJ013660 GNNDDE C23H34N8O15 662.2144 NA PeJP NA NA +MJ089221 Sorocenol F C39H34O10 662.215197 NA MeJP NA NA +PJ013661 GSCEMH C24H38N8O10S2 662.2153 NA PeJP NA NA +PJ013662 CCQFY C29H38N6O8S2 662.2193 NA PeJP NA NA +MJ089222 3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C32H38O15 662.22107 NA MeJP NA NA +MJ089223 3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-?-L-Rhamnopyranoside, 7-O-?-D-glucopyranoside C32H38O15 662.22107 NA MeJP NA NA +MJ089224 Antibiotic BK 223B C32H38O15 662.22107 NA MeJP NA NA +MJ089225 Antibiotic NG 011 C32H38O15 662.22107 NA MeJP NA NA +MJ089226 Neooleuropein C32H38O15 662.22107 NA MeJP NA NA +MJ089227 6-(1-Ethyl-1-propenyl)-3,4',5,7-tetrahydroxyflavylium(1+); 3-O-Diglucoside C32H39O15(+) 662.22107 NA MeJP NA NA +MJ089228 6-(1-Ethyl-1-propenyl)-3,4',5,7-tetrahydroxyflavylium; 3-O-(Glucosylglucoside) C32H39O15(+) 662.22107 NA MeJP NA NA +FL5FAAGI0005 Ikarisoside B C32H38O15 662.22107 113558-10-4 knapsack NA NA +FL5FAAGI0008 Epimedoside A C32H38O15 662.22107 39012-04-9 knapsack NA NA +PJ013663 GPDDEM C25H38N6O13S 662.2218 NA PeJP NA NA +MJ089229 Ataline C38H34N2O9 662.22643 NA MeJP NA NA +MJ089230 Oviisocorydine C38H34N2O9 662.22643 NA MeJP NA NA +PJ013664 NNDDW C27H34N8O12 662.2296 NA PeJP NA NA +PJ013665 GGNDDW C27H34N8O12 662.2297 NA PeJP NA NA +PJ013666 SCMHW C28H38N8O7S2 662.2305 NA PeJP NA NA +PJ013667 SSSDMH C24H38N8O12S 662.233 NA PeJP NA NA +PJ013668 NMMMH C25H42N8O7S3 662.2339 NA PeJP NA NA +MJ089231 1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 2-(2-Furoyl), 8,9-dibenzoyl, 1-Ac C36H38O12 662.236326 NA MeJP NA NA +MJ089232 1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 2-(2-furoyl), 1-Ac C36H38O12 662.236326 NA MeJP NA NA +MJ089233 3',4',5',7,8-Pentahydroxyflavan(5?5)-3',4',5',7,8-pentahydroxyflavan, 3',3''',4',4''',7,7''-Hexa-Me ether C36H38O12 662.236326 NA MeJP NA NA +MJ089234 Antibiotic ES 242-4; 4,4'-Di-O-Ac C36H38O12 662.236326 NA MeJP NA NA +MJ089235 Tricholomenyne D C36H38O12 662.236326 NA MeJP NA NA +PJ013669 PDDMW C29H38N6O10S 662.237 NA PeJP NA NA +PJ013670 QEEEE C25H38N6O15 662.2395 NA PeJP NA NA +PJ013671 GAEEEE C25H38N6O15 662.2396 NA PeJP NA NA +PJ013672 SPPCEM C26H42N6O10S2 662.2404 NA PeJP NA NA +PJ013673 GNNNNM C23H38N10O11S 662.2442 NA PeJP NA NA +PJ013674 GGGNNNM C23H38N10O11S 662.2443 NA PeJP NA NA +PJ013675 GSPCNW C28H38N8O9S 662.2483 NA PeJP NA NA +PJ013676 DDEER C24H38N8O14 662.2508 NA PeJP NA NA +MJ089236 Kuwanon J; 16''-Deoxy C40H38O9 662.251582 NA MeJP NA NA +MJ089237 Kuwanon J; 2-Deoxy C40H38O9 662.251582 NA MeJP NA NA +PJ013677 GSTMMH C25H42N8O9S2 662.2516 NA PeJP NA NA +PJ013678 GGGGGPMM C25H42N8O9S2 662.2517 NA PeJP NA NA +PJ013679 AEEEW C29H38N6O12 662.2548 NA PeJP NA NA +PJ013680 CCKFY C30H42N6O7S2 662.2557 NA PeJP NA NA +MJ089238 Azadirachtin G C33H42O14 662.257456 NA MeJP NA NA +MJ089239 Azadirachtin H C33H42O14 662.257456 NA MeJP NA NA +MJ089240 Azadirachtin; 11-Deoxy, O1-detigloyl, O3-de-Ac, O3-tigloyl C33H42O14 662.257456 NA MeJP NA NA +MJ089241 Urceolatoside A C33H42O14 662.257456 NA MeJP NA NA +MJ089242 Woorenogenin; 9-O-[6-O-(4-Hydroxy-2-methylenebutanoyl)-?-D-glucopyranoside] C33H42O14 662.257456 NA MeJP NA NA +PJ013681 GPTEEM C26H42N6O12S 662.2582 NA PeJP NA NA +PJ013682 GPPMMM C27H46N6O7S3 662.259 NA PeJP NA NA +PJ013683 GSNDDR C23H38N10O13 662.262 NA PeJP NA NA +PJ013684 GPCCQR C24H42N10O8S2 662.2629 NA PeJP NA NA +PJ013685 ACHFW C32H38N8O6S 662.2635 NA PeJP NA NA +8088 peptide derived from tuna cooking juice PHHADS 662.2639 ACE inhibitor Inhouse_peptide NA peptide +PJ013686 SNQEW C28H38N8O11 662.266 NA PeJP NA NA +PJ013687 GGGGGPDF C28H38N8O11 662.2661 NA PeJP NA NA +PJ013688 SSTTMH C25H42N8O11S 662.2694 NA PeJP NA NA +PJ013689 GNFYY C33H38N6O9 662.27 NA PeJP NA NA +PJ013690 GGGFYY C33H38N6O9 662.2701 NA PeJP NA NA +3810 NA MQFHT 662.2714 ACE inhibitor Inhouse_peptide NA peptide +PJ013691 PTEMW C30H42N6O9S 662.2734 NA PeJP NA NA +PJ013692 KEEEE C26H42N6O14 662.2759 NA PeJP NA NA +PJ013693 GPVEMM C27H46N6O9S2 662.2768 NA PeJP NA NA +PJ013694 GSPEHH C27H38N10O10 662.2773 NA PeJP NA NA +PJ013695 NNEMR C24H42N10O10S 662.2806 NA PeJP NA NA +PJ013696 GGGGGCQK C24H42N10O10S 662.2807 NA PeJP NA NA +PJ013697 GSQWW C32H38N8O8 662.2813 NA PeJP NA NA +MJ089243 Aglaine B; 3,4-Diepimer, 3',19-dihydroxy C36H42N2O10 662.283945 NA MeJP NA NA +PJ013698 AQQMW C29H42N8O8S 662.2846 NA PeJP NA NA +PJ013699 GAAQMW C29H42N8O8S 662.2847 NA PeJP NA NA +PJ013700 ASTQQE C25H42N8O13 662.2871 NA PeJP NA NA +PJ013701 TEEER C25H42N8O13 662.2872 NA PeJP NA NA +PJ013702 PEMMR C26H46N8O8S2 662.288 NA PeJP NA NA +PJ013703 NQQHH C26H38N12O9 662.2885 NA PeJP NA NA +PJ013704 SLEEW C30H42N6O11 662.2912 NA PeJP NA NA +PJ013705 CNDRR C23H42N12O9S 662.2919 NA PeJP NA NA +PJ013706 PVMMW C31H46N6O6S2 662.2921 NA PeJP NA NA +PJ013707 SPHHW C31H38N10O7 662.2925 NA PeJP NA NA +MJ089244 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 2,14-bis(2-methylpropanoyl), 1,8-di-Ac C34H46O13 662.293841 NA MeJP NA NA +MJ089245 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 8,14-bis(2-methylpropanoyl), 1,2-di-Ac C34H46O13 662.293841 NA MeJP NA NA +PJ013708 AALEEM C27H46N6O11S 662.2946 NA PeJP NA NA +PJ013709 GNMRW C28H42N10O7S 662.2959 NA PeJP NA NA +PJ013710 GSSQER C24H42N10O12 662.2984 NA PeJP NA NA +PJ013711 GPCCKR C25H46N10O7S2 662.2993 NA PeJP NA NA +PJ013712 SNKEW C29H42N8O10 662.3024 NA PeJP NA NA +PJ013713 VEEMR C26H46N8O10S 662.3058 NA PeJP NA NA +PJ013714 PPTYW C34H42N6O8 662.3064 NA PeJP NA NA +PJ013715 VVEMW C31H46N6O8S 662.3098 NA PeJP NA NA +PJ013716 ATTLEE C27H46N6O13 662.3123 NA PeJP NA NA +PJ013717 APTLMM C28H50N6O8S2 662.3132 NA PeJP NA NA +PJ013718 SSQRW C28H42N10O9 662.3136 NA PeJP NA NA +PJ013719 GGSTRW C28H42N10O9 662.3137 NA PeJP NA NA +PJ013720 NDKMR C25H46N10O9S 662.317 NA PeJP NA NA +PJ013721 GSKWW C33H42N8O7 662.3177 NA PeJP NA NA +PJ013722 AQKMW C30H46N8O7S 662.321 NA PeJP NA NA +PJ013723 GAAKMW C30H46N8O7S 662.3211 NA PeJP NA NA +PJ013724 GTTQKE C26H46N8O12 662.3235 NA PeJP NA NA +PJ013725 GSDKKE C26H46N8O12 662.3236 NA PeJP NA NA +PJ013726 GPCKKM C27H50N8O7S2 662.3244 NA PeJP NA NA +PJ013727 VDHHR C27H42N12O8 662.3249 NA PeJP NA NA +PJ013728 AAPLEY C31H46N6O10 662.3276 NA PeJP NA NA +PJ013729 SNMRR C24H46N12O8S 662.3282 NA PeJP NA NA +PJ013730 GGSMRR C24H46N12O8S 662.3283 NA PeJP NA NA +PJ013731 ALHHW C32H42N10O6 662.3289 NA PeJP NA NA +7750 ACE inhibitor (tynorphin) VVYPW 662.33 antioxidative Inhouse_peptide NA peptide +MJ089246 2,3,16,20,25-Pentahydroxy-29-norcucurbita-1,3,5(10),6-tetraene-11,22-dione, 23,24-Didehydro, 2-O-?-D-glucopyranoside C35H50O12 662.330227 NA MeJP NA NA +MJ089247 2,3,16,20,25-Pentahydroxy-29-norcucurbita-1,3,5(10),6-tetraene-11,22-dione, 23,24-Didehydro, 22?-alcohol, 2-O-?-D-glucopyranoside C35H50O12 662.330227 NA MeJP NA NA +MJ089248 Fevicordin F; 22-Ketone, 2-O-?-D-glucopyranoside C35H50O12 662.330227 NA MeJP NA NA +MJ089249 Fevicordin F; 6,7-Didehydro, 2-O-?-D-glucopyranoside C35H50O12 662.330227 NA MeJP NA NA +MJ089250 Fevicordin F; 6,7-Didehydro, 23,24-dihydro, 22-ketone, 2-O-?-D-glucopyranoside C35H50O12 662.330227 NA MeJP NA NA +PJ013732 GTLLEM C28H50N6O10S 662.3309 NA PeJP NA NA +22 Hemoglobin VVYPW 662.332 celiac toxic Inhouse_peptide NA peptide +PJ013733 ACKRW C29H46N10O6S 662.3323 NA PeJP NA NA +MJ089251 Cholest-22-ene-3,6,8,15,24-pentol, 24-O-?-D-Xylopyranoside, 15-sulfate C32H54O12S 662.333597 NA MeJP NA NA +MJ089252 Cholest-4-ene-3,6,8,15,24-pentol, 3-O-?-D-Xylopyranoside, 24-sulfate C32H54O12S 662.333597 NA MeJP NA NA +PJ013734 GSSKER C25H46N10O11 662.3348 NA PeJP NA NA +PJ013735 SDKKW C30H46N8O9 662.3388 NA PeJP NA NA +PJ013736 QKKEM C27H50N8O9S 662.3422 NA PeJP NA NA +PJ013737 PVVYW C35H46N6O7 662.3428 NA PeJP NA NA +PJ013738 GSSTRR C24H46N12O10 662.346 NA PeJP NA NA +PJ013739 TLLMW C32H50N6O7S 662.3462 NA PeJP NA NA +MJ089253 Ervafolidine C40H46N4O5 662.34682 NA MeJP NA NA +PJ013740 STTLLE C28H50N6O12 662.3487 NA PeJP NA NA +PJ013741 GVLLMM C29H54N6O7S2 662.3496 NA PeJP NA NA +PJ013742 SSKRW C29H46N10O8 662.35 NA PeJP NA NA +PJ013743 GGGGLFR C29H46N10O8 662.3501 NA PeJP NA NA +MJ089254 6',6''-Diacetyl 16-[(2'-O-?-D-glucopyranosyl-?-D-glucopyranosyl)oxy]hexadecanoic acid 1',4''-lactone C32H54O14 662.351356 NA MeJP NA NA +MJ089255 Murolic acid, 2-Epimer, O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C32H54O14 662.351356 NA MeJP NA NA +MJ089256 Murolic acid, 2-Epimer, O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C32H54O14 662.351356 NA MeJP NA NA +MJ089257 Murolic acid, O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C32H54O14 662.351356 NA MeJP NA NA +MJ089258 Murolic acid, O-[?-D-Apiofuranosyl-(1?4)-?-D-glucopyranoside] C32H54O14 662.351356 NA MeJP NA NA +MJ089259 Murolic acid, O-[?-D-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C32H54O14 662.351356 NA MeJP NA NA +PJ013744 TQKMR C26H50N10O8S 662.3534 NA PeJP NA NA +PJ013745 PPFFR C34H46N8O6 662.3541 NA PeJP NA NA +PJ013746 AKKMW C31H50N8O6S 662.3574 NA PeJP NA NA +PJ013747 GTTKKE C27H50N8O11 662.3599 NA PeJP NA NA +PJ013748 LLMMR C28H54N8O6S2 662.3608 NA PeJP NA NA +PJ013749 GQFRR C28H46N12O7 662.3613 NA PeJP NA NA +PJ013750 ASPLLY C32H50N6O9 662.3639 NA PeJP NA NA +PJ013751 GPTLLY C32H50N6O9 662.364 NA PeJP NA NA +PJ013752 TCKRR C25H50N12O7S 662.3646 NA PeJP NA NA +MJ089260 1,3,27-Trihydroxywitha-5,24-dienolide, 1-Ac, 3-O-?-D-glucopyranoside C36H54O11 662.366612 NA MeJP NA NA +MJ089261 3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside C36H54O11 662.366612 NA MeJP NA NA +MJ089262 3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucuronopyranoside C36H54O11 662.366612 NA MeJP NA NA +MJ089263 5,6-Epoxy-4(15)-eudesmene-3,7,11-triol, 11-O-[2,4-Diangeloyl-3-(2-methylbutanoyl)-?-D-fucopyranoside] C36H54O11 662.366612 NA MeJP NA NA +MJ089264 Physalolactone B; 3-O-?-D-Glucopyranoside C36H54O11 662.366612 NA MeJP NA NA +PJ013753 SSLLLM C29H54N6O9S 662.3673 NA PeJP NA NA +PJ013754 GTTTKR C26H50N10O10 662.3712 NA PeJP NA NA +PJ013755 TTKKW C31H50N8O8 662.3752 NA PeJP NA NA +PJ013756 KKKEM C28H54N8O8S 662.3786 NA PeJP NA NA +PJ013757 VVLFW C36H50N6O6 662.3792 NA PeJP NA NA +MJ089265 16-Decarbomethoxyvoacamine pseudoindoxyl C41H50N4O4 662.383206 NA MeJP NA NA +MJ089266 Conodurine; 3-Hydroxy, decarbomethoxy C41H50N4O4 662.383206 NA MeJP NA NA +PJ013758 VNKFR C30H50N10O7 662.3864 NA PeJP NA NA +PJ013759 TKKMR C27H54N10O7S 662.3898 NA PeJP NA NA +PJ013760 SSTLKK C28H54N8O10 662.3963 NA PeJP NA NA +PJ013761 GKFRR C29H50N12O6 662.3977 NA PeJP NA NA +PJ013762 AALLLY C33H54N6O8 662.4003 NA PeJP NA NA +MJ089267 16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, O25-Me, 3-O-?-D-galactopyranoside C37H58O10 662.402998 NA MeJP NA NA +MJ089268 3,19-Dihydroxy-12-ursene-24,28-dioic acid, 3-O-?-D-Xylopyranoside, di-Me ester C37H58O10 662.402998 NA MeJP NA NA +MJ089269 3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucopyranoside, 30-Me ester C37H58O10 662.402998 NA MeJP NA NA +MJ089270 Cholesta-5,24-diene-3,11,16,22-tetrol, 16-O-(2,3-Di-O-acetyl-?-L-rhamnopyranoside) C37H58O10 662.402998 NA MeJP NA NA +MJ089271 Cimigenol; 3-O-Xyloside, 25-Ac C37H58O10 662.402998 NA MeJP NA NA +MJ089272 Cimigenol; 3-[3-O-Acetyl-?-D-xylopyranoside] C37H58O10 662.402998 NA MeJP NA NA +MJ089273 Isodahurinol; 24-Ac, 3-O-?-D-xylopyranoside C37H58O10 662.402998 NA MeJP NA NA +MJ089274 Shengmanol; 23-Ac, 3-O-?-D-xylopyranoside C37H58O10 662.402998 NA MeJP NA NA +PJ013763 VLLRY C32H54N8O7 662.4116 NA PeJP NA NA +MJ089275 Fla-P3 C45H58O4 662.43351 NA MeJP NA NA +MJ089276 20-Hydroxy-8-[2-hydroxy-1-methyl-3-(tetrahydro-2,4-dihydroxy-5,6-dimethyl-2H-pyran-2-yl)butyl]-1,3,9,13-tetramethyl-16-pentyl-7,17,19-trioxabicyclo[13.4.1]eicosa-2,4,10,12-tetraen-6-one C38H62O9 662.439383 NA MeJP NA NA +PJ013764 LKKKF C33H58N8O6 662.448 NA PeJP NA NA +MJ089277 Chlorobiumquinone C46H62O3 662.469895 NA MeJP NA NA +MJ089278 Petroformyne 1; 8,9,14,15-Tetradehydro(Z,Z-), 12,13-dihydro, 3,44-diketone C46H62O3 662.469895 NA MeJP NA NA +MJ089279 Glycerol 1-alkanoates; Glycerol 1-(26-hydroxyhexacosanoate), 26'-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) C39H66O8 662.475769 NA MeJP NA NA +MJ089280 Glycerol 1-alkanoates; Glycerol 1-(26-hydroxyhexacosanoate), 26'-O-(4-Hydroxy-3-methoxycinnamoyl)(Z-) C39H66O8 662.475769 NA MeJP NA NA +MJ089281 Lepidate C43H66O5 662.491025 NA MeJP NA NA +MJ089282 Variabilin, 18-(9-Octadecenoyl) (Z-) C43H66O5 662.491025 NA MeJP NA NA +HMDB07295 DG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C43H66O5 662.491028 NA HMDB2010 NA NA +HMDB07324 DG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C43H66O5 662.491028 NA HMDB2010 NA NA +HMDB07351 DG(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C43H66O5 662.491028 NA HMDB2010 NA NA +HMDB07352 DG(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C43H66O5 662.491028 NA HMDB2010 NA NA +HMDB07520 DG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C43H66O5 662.491028 NA HMDB2010 NA NA +HMDB07549 DG(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C43H66O5 662.491028 NA HMDB2010 NA NA +HMDB07576 DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C43H66O5 662.491028 NA HMDB2010 NA NA +HMDB07577 DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C43H66O5 662.491028 NA HMDB2010 NA NA +HMDB07715 DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C43H66O5 662.491028 NA HMDB2010 NA NA +HMDB07744 DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C43H66O5 662.491028 NA HMDB2010 NA NA +HMDB07771 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/0:0) C43H66O5 662.491028 NA HMDB2010 NA NA +HMDB07772 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/0:0) C43H66O5 662.491028 NA HMDB2010 NA NA +HMDB11145 PA(16:0e/18:0) C37H75O7P 662.525024 NA HMDB2010 NA NA +MJ089283 Cepaciamide A C40H74N2O5 662.559773 NA MeJP NA NA +MJ089284 12-Oleanen-3-ol, O-(9Z-Hexadecenoyl) C46H78O2 662.600181 NA MeJP NA NA +MJ089285 Ergost-5-en-3-ol, 9Z,12Z-Octadecadienoyl C46H78O2 662.600181 NA MeJP NA NA +MJ089286 3-Dotetracontene-1,5-diol; 5-Ac C44H86O3 662.657696 NA MeJP NA NA +8137 anticancer peptide from algae protein waste (Chlorella vulgaris) VECYGPNRPQF 662.78395 MH2+ Inhouse_peptide NA peptide +8138 peptide derived from algae protein waste (Chlorella vulgaris) VECYGPNRPQF 662.78395 MH2+ Inhouse_peptide NA peptide +MJ089287 Coenzyme I C21H27N7O14P2 663.109121 NA MeJP NA NA +PJ013765 ACCCQH C23H37N9O8S3 663.1927 NA PeJP NA NA +PJ013766 GCCNMH C23H37N9O8S3 663.1928 NA PeJP NA NA +PJ013767 GNDDDE C23H33N7O16 663.1984 NA PeJP NA NA +PJ013768 CCEFY C29H37N5O9S2 663.2033 NA PeJP NA NA +MJ089288 Scleroderris blue C38H33NO10 663.210446 NA MeJP NA NA +PJ013769 SSCCQH C23H37N9O10S2 663.2105 NA PeJP NA NA +PJ013770 NDDDW C27H33N7O13 663.2137 NA PeJP NA NA +PJ013771 SPCNDE C24H37N7O13S 663.217 NA PeJP NA NA +PJ013772 DMMMH C25H41N7O8S3 663.2179 NA PeJP NA NA +PJ013773 SCEYY C29H37N5O11S 663.221 NA PeJP NA NA +PJ013774 EEEEE C25H37N5O16 663.2236 NA PeJP NA NA +PJ013775 GSSSSCH C23H37N9O12S 663.2283 NA PeJP NA NA +PJ013776 ACCCKH C24H41N9O7S3 663.2291 NA PeJP NA NA +PJ013777 GSPCDW C28H37N7O10S 663.2323 NA PeJP NA NA +PJ013778 GSNEEE C24H37N7O15 663.2348 NA PeJP NA NA +PJ013779 GPNDMM C25H41N7O10S2 663.2357 NA PeJP NA NA +PJ013780 CMHHH C26H37N11O6S2 663.237 NA PeJP NA NA +PJ013781 GMMYY C30H41N5O8S2 663.2397 NA PeJP NA NA +PJ013782 CNNQW C27H37N9O9S 663.2435 NA PeJP NA NA +PJ013783 GSDDDR C23H37N9O14 663.246 NA PeJP NA NA +PJ013784 GPCCER C24H41N9O9S2 663.2469 NA PeJP NA NA +MJ089289 Dihydrostreptomycin 6-phosphate C21H42N7O15P 663.24765 NA MeJP NA NA +MetaCyc04021 dihydrostreptomycin 6-phosphate [N-formyl-L-glutamate;] C21H42N7O15P1 663.24765 NA metacyc NA NA +MetaCyc04022 streptomycin 6-phosphate [] C21H42N7O15P1 663.24765 NA metacyc NA NA +C01221 Dihydrostreptomycin 6-phosphate C21H42N7O15P 663.2477 NA KEGG NA NA +C04191 Dihydrostreptomycin 3''-phosphate C21H42N7O15P 663.2477 NA KEGG NA NA +C04382 Dihydrostreptomycin 3'alpha-phosphate C21H42N7O15P 663.2477 NA KEGG NA NA +C04384 Heparan sulfate alpha-D-glucosaminide C6H12NO5 663.2477 NA KEGG NA NA +PJ013785 SNEEW C28H37N7O12 663.25 NA PeJP NA NA +PJ013786 GGSEEW C28H37N7O12 663.2501 NA PeJP NA NA +PJ013787 PCQMW C29H41N7O7S2 663.2509 NA PeJP NA NA +MJ089290 2-Cyclopropylethyl [[4'-[[2-ethyl-6-[[[methyl(1-methylethyl)amino]carbonyl]amino]-4-oxo-3(4H)-quinazolinyl]methyl]-3'-fluoro[1,1'-biphenyl]-2-yl]sulfonyl]carbamate C34H38FN5O6S 663.252682 NA MeJP NA NA +PJ013788 QQEEM C25H41N7O12S 663.2534 NA PeJP NA NA +PJ013789 GDFYY C33H37N5O10 663.2541 NA PeJP NA NA +PJ013790 GPCNHH C26H37N11O8S 663.2548 NA PeJP NA NA +PJ013791 STMYY C30H41N5O10S 663.2574 NA PeJP NA NA +MJ089291 Adiposin 2; Dihydro C25H45NO19 663.258578 NA MeJP NA NA +PJ013792 GSSNNW C27H37N9O11 663.2613 NA PeJP NA NA +PJ013793 PCCRW C28H41N9O6S2 663.2622 NA PeJP NA NA +PJ013794 NDEMR C24H41N9O11S 663.2646 NA PeJP NA NA +PJ013795 GGDEMR C24H41N9O11S 663.2647 NA PeJP NA NA +PJ013796 GSEWW C32H37N7O9 663.2653 NA PeJP NA NA +PJ013797 AQEMW C29H41N7O9S 663.2687 NA PeJP NA NA +PJ013798 GSDKEE C25H41N7O14 663.2712 NA PeJP NA NA +PJ013799 GPTQMM C26H45N7O9S2 663.272 NA PeJP NA NA +PJ013800 GGAPTMM C26H45N7O9S2 663.2721 NA PeJP NA NA +PJ013801 NQEHH C26H37N11O10 663.2725 NA PeJP NA NA +PJ013802 GMFFY C34H41N5O7S 663.2727 NA PeJP NA NA +PJ013803 CDDRR C23H41N11O10S 663.2759 NA PeJP NA NA +PJ013804 GDMRW C28H41N9O8S 663.2799 NA PeJP NA NA +PJ013805 SWWW C36H37N7O6 663.2805 NA PeJP NA NA +PJ013806 GSSEER C24H41N9O13 663.2824 NA PeJP NA NA +PJ013807 GPTCMR C25H45N9O8S2 663.2833 NA PeJP NA NA +PJ013808 AAMWW C33H41N7O6S 663.2839 NA PeJP NA NA +PJ013809 SDKEW C29H41N7O11 663.2864 NA PeJP NA NA +PJ013810 PCKMW C30H45N7O6S2 663.2873 NA PeJP NA NA +PJ013811 GQHHW C30H37N11O7 663.2878 NA PeJP NA NA +PJ013812 QKEEM C26H45N7O11S 663.2898 NA PeJP NA NA +PJ013813 GVYYY C34H41N5O9 663.2904 NA PeJP NA NA +PJ013814 SSSNNR C23H41N11O12 663.2936 NA PeJP NA NA +PJ013815 GGGGSSSR C23H41N11O12 663.2937 NA PeJP NA NA +PJ013816 SSERW C28H41N9O10 663.2977 NA PeJP NA NA +PJ013817 PHHHH C29H37N13O6 663.299 NA PeJP NA NA +PJ013818 TQEMR C25H45N9O10S 663.301 NA PeJP NA NA +PJ013819 GGGGGTKM C25H45N9O10S 663.3011 NA PeJP NA NA +C08091 Nelfinavir mesylate C32H45N3O4S 663.3012 NA KEGG NA NA +PJ013820 ATTWW C33H41N7O8 663.3017 NA PeJP NA NA +PJ013821 SLQMW C30H45N7O8S 663.305 NA PeJP NA NA +PJ013822 AKEMW C30H45N7O8S 663.3051 NA PeJP NA NA +PJ013823 GFFFF C38H41N5O6 663.3057 NA PeJP NA NA +3191 cuprum binding peptide GGHTRH 663.306 celiac toxic Inhouse_peptide NA peptide +PJ013824 STTLNE C26H45N7O13 663.3075 NA PeJP NA NA +PJ013825 GTTKEE C26H45N7O13 663.3076 NA PeJP NA NA +PJ013826 GPTKMM C27H49N7O8S2 663.3084 NA PeJP NA NA +PJ013827 NNNFR C27H41N11O9 663.3089 NA PeJP NA NA +PJ013828 SDMRR C24H45N11O9S 663.3123 NA PeJP NA NA +PJ013829 PPQHW C32H41N9O7 663.3129 NA PeJP NA NA +PJ013830 ATMRW C29H45N9O7S 663.3163 NA PeJP NA NA +PJ013831 GTTTER C25H45N9O12 663.3188 NA PeJP NA NA +PJ013832 VQMMR C26H49N9O7S2 663.3197 NA PeJP NA NA +PJ013833 SQHHR C26H41N13O8 663.3201 NA PeJP NA NA +7024 synthetic peptide from alpha-gliadin WQIPEQSQCQAI 663.321 MH2+ Inhouse_peptide NA peptide +PJ013834 TTKEW C30H45N7O10 663.3228 NA PeJP NA NA +PJ013835 GKHHW C31H41N11O6 663.3242 NA PeJP NA NA +PJ013836 KKEEM C27H49N7O10S 663.3262 NA PeJP NA NA +PJ013837 AMMRR C25H49N11O6S2 663.3309 NA PeJP NA NA +PJ013838 TTTRW C29H45N9O9 663.334 NA PeJP NA NA +PJ013839 GAPTRY C29H45N9O9 663.3341 NA PeJP NA NA +PJ013840 TKEMR C26H49N9O9S 663.3374 NA PeJP NA NA +PJ013841 APKYW C34H45N7O7 663.3381 NA PeJP NA NA +PJ013842 SLKMW C31H49N7O7S 663.3414 NA PeJP NA NA +PJ013843 AAPKMF C31H49N7O7S 663.3415 NA PeJP NA NA +PJ013844 SSTLKE C27H49N7O12 663.3439 NA PeJP NA NA +PJ013845 AALKMM C28H53N7O7S2 663.3448 NA PeJP NA NA +PJ013846 GEFRR C28H45N11O8 663.3453 NA PeJP NA NA +PJ013847 TTMRR C25H49N11O8S 663.3487 NA PeJP NA NA +PJ013848 GVFRW C33H45N9O6 663.3493 NA PeJP NA NA +PJ013849 SSTTLR C26H49N9O11 663.3552 NA PeJP NA NA +PJ013850 VKMMR C27H53N9O6S2 663.356 NA PeJP NA NA +PJ013851 SKHHR C27H45N13O7 663.3565 NA PeJP NA NA +PJ013852 PKKEY C31H49N7O9 663.3592 NA PeJP NA NA +PJ013853 FRRW C32H45N11O5 663.3605 NA PeJP NA NA +PJ013854 ATTLKM C28H53N7O9S 663.3626 NA PeJP NA NA +PJ013855 PTKRY C30H49N9O8 663.3704 NA PeJP NA NA +PJ013856 GGAPLLH C30H49N9O8 663.3705 NA PeJP NA NA +PJ013857 GTCKKK C27H53N9O8S 663.3738 NA PeJP NA NA +PJ013858 ALKFW C35H49N7O6 663.3745 NA PeJP NA NA +C13900 1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine C32H58NO11P 663.3747 NA KEGG NA NA +PJ013859 TTTTLK C28H53N7O11 663.3803 NA PeJP NA NA +PJ013860 GLRRY C29H49N11O7 663.3817 NA PeJP NA NA +PJ013861 SSSKKK C27H53N9O10 663.3916 NA PeJP NA NA +PJ013862 PVHRR C28H49N13O6 663.3929 NA PeJP NA NA +PJ013863 LLQKY C32H53N7O8 663.3956 NA PeJP NA NA +PJ013864 VVKRY C31H53N9O7 663.4068 NA PeJP NA NA +MJ089292 7,9(11)-Multifloradiene-3,29-diol; 3?-form, 3-O-(4-Aminobenzoyl), 29-O-benzoyl C44H57NO4 663.428759 NA MeJP NA NA +PJ013865 LLKKY C33H57N7O7 663.432 NA PeJP NA NA +MJ089293 Cholest-5-ene-3,15,26-triol, 15-O-[2-(Acetylamino)-2-deoxy-?-D-glucopyranosyl], 26-Ac C37H61NO9 663.434632 NA MeJP NA NA +MJ089294 Cholest-6-ene-3,15,26-triol, 15-O-[2-(Acetylamino)-2-deoxy-?-D-glucopyranosyl], 26-Ac C37H61NO9 663.434632 NA MeJP NA NA +HMDB08824 PE(14:0/16:0) C35H70NO8P 663.483887 NA HMDB2010 NA NA +HMDB08889 PE(15:0/15:0) C35H70NO8P 663.483887 NA HMDB2010 NA NA +HMDB08920 PE(16:0/14:0) C35H70NO8P 663.483887 NA HMDB2010 NA NA +MJ089295 Pamamycin; Pamamycin 663 C39H69NO7 663.507403 NA MeJP NA NA +HMDB04957 Ceramide (d18:1/25:0) C43H85NO3 663.65295 http://www.hmdb.ca/metabolites/HMDB04957 HMDB NA NA +HMDB04957 Ceramide (d18:1/25:0) C43H85NO3 663.65295 HMDB04957 PFEM_hmdb_metabocards_official NA NA +HMDB04957 Ceramide (d18:1/25:0) C43H85NO3 663.652954 NA HMDB2010 NA NA +EUR436 Methylcobalamine (degrade en cobalamine) F1 F1 663.776075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR436 Methylcobalamine (degrade en cobalamine) F1 NA 663.776075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR436 Methylcobalamine (degrade en cobalamine) F1 F1 663.776075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR436 Methylcobalamine (degrade en cobalamine) F1 NA 663.776075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR436 Methylcobalamine (degrade en cobalamine) F1 F1 663.776075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR436 Methylcobalamine (degrade en cobalamine) F1 NA 663.776075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR436 Methylcobalamine (degrade en cobalamine) F1 F1 663.776075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR436 Méthylcobalamine (dégradé en cobalamine) F1 F1 663.776075 standards wishlist analysés sur QTOF HMDB NA NA +EUR436 Methylcobalamine (degrade en cobalamine) F1 F1 663.776075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR436 Methylcobalamine (degrade en cobalamine) F1 NA 663.776075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR436 Methylcobalamine (degrade en cobalamine) F1 F1 663.776075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR436 Methylcobalamine (degrade en cobalamine) F1 F1 663.776075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB01179 Nicotinic acid adenine dinucleotide C21H26N6O15P2 664.09314 http://www.hmdb.ca/metabolites/HMDB01179 HMDB NA NA +HMDB01179 Nicotinic acid adenine dinucleotide C21H26N6O15P2 664.09314 HMDB01179 PFEM_hmdb_metabocards_official NA NA +PJ013866 CCCCCM C20H36N6O7S6 664.097 NA PeJP NA NA +MJ089296 ?-D-Mannopyranosyloxyphosphinico-(1?6)-?-D-mannopyranosyloxyphosphinico-(1?6)-D-mannose C18H34O22P2 664.101695 NA MeJP NA NA +EUR261 Nicotinamide adenine di nucleotide F1 NA 664.102075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR261 Nicotinamide adenine di nucleotide F1 NA 664.102075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR261 Nicotinamide adenine di nucleotide F1 NA 664.102075 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR261 Nicotinamide adenine di nucleotide F1 NA 664.102075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR261 Nicotinamide adenine di nucleotide F1 NA 664.102075 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR261 Nicotinamide adenine di nucleotide F1 NA 664.102075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR261 Nicotinamide adenine di nucleotide F1 NA 664.102075 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR261 Nicotinamide adénine di nucléotide F1 NA 664.102075 standards wishlist analysés sur QTOF HMDB NA NA +EUR261 Nicotinamide adenine di nucleotide F1 NA 664.102075 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR261 Nicotinamide adenine di nucleotide F1 NA 664.102075 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR261 Nicotinamide adenine di nucleotide F1 NA 664.102075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR261 Nicotinamide adenine di nucleotide F1 NA 664.102075 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ089297 Zilantel C26H38N2O6P2S4 664.108792 NA MeJP NA NA +C00003 NAD+ C21H28N7O14P2 664.1169 NA KEGG NA NA +HMDB00902 NAD C21H28N7O14P2 664.11694 http://www.hmdb.ca/metabolites/HMDB00902 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00902 NAD C21H28N7O14P2 664.11694 http://www.hmdb.ca/metabolites/HMDB00902 HMDB NA NA +HMDB00902 NAD C21H28N7O14P2 664.11694 http://www.hmdb.ca/metabolites/HMDB00902 PFEM_hmdb_metabocards_blood NA blood +HMDB00902 NAD C21H28N7O14P2 664.11694 HMDB00902 PFEM_hmdb_metabocards_official NA NA +HMDB00902 NAD C21H28N7O14P2 664.116943 NA HMDB2010 NA NA +MJ089298 NAD+ C21H28N7O14P2 664.116946 NA MeJP NA NA +MetaCyc04023 NAD+ [coenzyme I;diphosphopyridine nucleotide;diphosphopyridine nucleotide oxidized;nicotinamide adenine dinucleotide;nicotinamide adenine dinucleotide oxidized;NAD-oxidized;NAD-ox;NAD+;DPN+;DPN-ox;DPN;β-nicotinamide adenine dinucleotide;NAD;] C21H28N7O14P2 664.116947 53-84-9 metacyc NA NA +EUR058 nicotinamide adenine dinucleotide C21H28N7O14P2 664.116954 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR058 nicotinamide adenine dinucleotide C21H28N7O14P2 664.116954 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR058 nicotinamide adenine dinucleotide C21H28N7O14P2 664.116954 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR058 nicotinamide adenine dinucleotide C21H28N7O14P2 664.116954 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR058 nicotinamide adenine dinucleotide C21H28N7O14P2 664.116954 Wishlist HMDB NA NA +EUR058 nicotinamide adenine dinucleotide C21H28N7O14P2 664.116954 Wishlist Inhouse_PFEM NA NA +EUR058 nicotinamide adenine dinucleotide C21H28N7O14P2 664.116954 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR058 nicotinamide adenine dinucleotide C21H28N7O14P2 664.116954 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR058 nicotinamide adenine dinucleotide C21H28N7O14P2 664.117 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR058 nicotinamide adenine dinucleotide C21H28N7O14P2 664.117 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR058 nicotinamide adenine dinucleotide C21H28N7O14P2 664.117 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR058 nicotinamide adenine dinucleotide C21H28N7O14P2 664.117 Wishlist Inhousejuil11 NA NA +PJ013867 ACCCCY C24H36N6O8S4 664.1478 NA PeJP NA NA +MJ089299 3,4',5,7-Tetrahydroxyflavan(2?7,4?8)-3,4',5,7-tetrahydroxyflavan, 3-O-(4-Hydroxybenzoyl) C37H28O12 664.158076 NA MeJP NA NA +PJ013868 PCCCCH C23H36N8O7S4 664.159 NA PeJP NA NA +FL3FAAGS0052 Apigenin 7-(6''-malonylneohesperidoside) C30H32O17 664.16394 127450-66-7 knapsack NA NA +MJ089300 4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside], C30H32O17 664.163949 NA MeJP NA NA +PJ013869 SSCCCY C24H36N6O10S3 664.1655 NA PeJP NA NA +PJ013870 GCCDMH C23H36N8O9S3 664.1768 NA PeJP NA NA +PJ013871 GDDDDE C23H32N6O17 664.1824 NA PeJP NA NA +MJ089301 Antibiotic AT 2433; Antibiotic AT 2433A2 C33H33ClN4O9 664.193606 NA MeJP NA NA +PJ013872 SSCCEH C23H36N8O11S2 664.1945 NA PeJP NA NA +PJ013873 DDDDW C27H32N6O14 664.1977 NA PeJP NA NA +PJ013874 CCNYY C28H36N6O9S2 664.1985 NA PeJP NA NA +FL3FEAGS0025 Pectolinarigenin 7-(4'''-acetylrutinoside);Linariin;Pectolinarin, 4'''-acetate;7-[[6-O-(4-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C31H36O16 664.20033 53755-56-9 knapsack NA NA +FL3FEAGS0034 Scutellarein 6,4'-dimethyl ether 7-(2'''-acetylrutinoside);Isolinariin A;Pectolinarin 2'''-acetate;7-[[6-O-(2-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C31H36O16 664.20033 145613-81-6 knapsack NA NA +FL3FEAGS0035 Scutellarein 6,4'-dimethyl ether 7-(3'''-acetylrutinoside) C31H36O16 664.20033 145613-82-7 knapsack NA NA +MJ089302 4',5,6,7-Tetrahydroxyflavone; 4',5-Di-Me ether, 7-O-[4-O-acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C31H36O16 664.200335 NA MeJP NA NA +MJ089303 5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-[2-O-Acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C31H36O16 664.200335 NA MeJP NA NA +MJ089304 5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-[3-O-Acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C31H36O16 664.200335 NA MeJP NA NA +MJ089305 5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C31H36O16 664.200335 NA MeJP NA NA +MJ089306 5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-Ac C31H36O16 664.200335 NA MeJP NA NA +MJ089307 Justisolin; 7-Epimer, O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C31H36O16 664.200335 NA MeJP NA NA +MJ089308 Justisolin; 7-Epimer, O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C31H36O16 664.200335 NA MeJP NA NA +PJ013875 SPCDDE C24H36N6O14S 664.2011 NA PeJP NA NA +PJ013876 PPCCDM C25H40N6O9S3 664.2019 NA PeJP NA NA +PJ013877 GNNDDM C23H36N8O13S 664.2123 NA PeJP NA NA +PJ013878 ATCCMH C24H40N8O8S3 664.2131 NA PeJP NA NA +PJ013879 GSCMMH C24H40N8O8S3 664.2132 NA PeJP NA NA +PJ013880 GSDEEE C24H36N6O16 664.2188 NA PeJP NA NA +PJ013881 GPDDMM C25H40N6O11S2 664.2197 NA PeJP NA NA +MJ089309 Ussurienoside I; O-De-Me, 3'-O-?-D-glucopyranoside C28H40O18 664.221464 NA MeJP NA NA +PJ013882 SCNNNN C22H36N10O12S 664.2235 NA PeJP NA NA +PJ013883 CNNEW C27H36N8O10S 664.2275 NA PeJP NA NA +PJ013884 SSNNDE C23H36N8O15 664.23 NA PeJP NA NA +PJ013885 GGGGSSDE C23H36N8O15 664.2301 NA PeJP NA NA +MJ089310 Scleroderris yellow C39H36O10 664.230847 NA MeJP NA NA +PJ013886 SSTCMH C24H40N8O10S2 664.2309 NA PeJP NA NA +PJ013887 SDEEW C28H36N6O13 664.2341 NA PeJP NA NA +PJ013888 PCEMW C29H40N6O8S2 664.2349 NA PeJP NA NA +MJ089311 4',5,6,7-Tetrahydroxy-8-prenylflavanone, 5-O-Rutinoside C32H40O15 664.23672 NA MeJP NA NA +MJ089312 4',5,7-Trihydroxy-8-prenylflavanone, 4',7-Di-O-?-D-glucopyranoside C32H40O15 664.23672 NA MeJP NA NA +FL2FAAGI0001 Flavaprenin 7,4'-diglucoside C32H40O15 664.23672 86919-11-1 knapsack NA NA +FL2FEAGI0001 Nirurin C32H40O15 664.23672 96253-68-8 knapsack NA NA +PJ013889 QEEEM C25H40N6O13S 664.2374 NA PeJP NA NA +PJ013890 SPPCMM C26H44N6O8S3 664.2383 NA PeJP NA NA +PJ013891 GPCDHH C26H36N10O9S 664.2388 NA PeJP NA NA +MJ089313 Thalictrinine C38H36N2O9 664.24208 NA MeJP NA NA +PJ013892 GCNWW C31H36N8O7S 664.2428 NA PeJP NA NA +PJ013893 GSSNDW C27H36N8O12 664.2453 NA PeJP NA NA +PJ013894 CQMHF C28H40N8O7S2 664.2462 NA PeJP NA NA +PJ013895 DDEMR C24H40N8O12S 664.2487 NA PeJP NA NA +MJ089314 3-(4-Hydroxy-3-methoxyphenyl)-2,3-bis[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1-propanol; 9,9',9''-Tri-Ac C36H40O12 664.251976 NA MeJP NA NA +PJ013896 AEEMW C29H40N6O10S 664.2527 NA PeJP NA NA +PJ013897 GTTEEE C25H40N6O15 664.2552 NA PeJP NA NA +PJ013898 GPTEMM C26H44N6O10S2 664.2561 NA PeJP NA NA +PJ013899 NEEHH C26H36N10O11 664.2565 NA PeJP NA NA +PJ013900 CCHFR C27H40N10O6S2 664.2574 NA PeJP NA NA +PJ013901 GSCNER C23H40N10O11S 664.2599 NA PeJP NA NA +PJ013902 SNQMW C28H40N8O9S 664.2639 NA PeJP NA NA +PJ013903 SSSQQE C24H40N8O14 664.2664 NA PeJP NA NA +MJ089315 Alopecurone A; 2'-Me ether C40H40O9 664.267232 NA MeJP NA NA +MJ089316 Alopecurone A; 7-Epimer, 2'-Me ether C40H40O9 664.267232 NA MeJP NA NA +PJ013904 QQQMM C25H44N8O9S2 664.2673 NA PeJP NA NA +PJ013905 GSNNHH C25H36N12O10 664.2678 NA PeJP NA NA +PJ013906 PPCYW C33H40N6O7S 664.2679 NA PeJP NA NA +PJ013907 TTEEW C29H40N6O12 664.2704 NA PeJP NA NA +PJ013908 GAPEEY C29H40N6O12 664.2705 NA PeJP NA NA +PJ013909 PTMMW C30H44N6O7S2 664.2713 NA PeJP NA NA +PJ013910 GEHHW C30H36N10O8 664.2718 NA PeJP NA NA +MJ089317 2',4',7-Trihydroxy-8-prenylflavan, 4'-Me ether, 2',7-di-O-?-D-glucopyranoside C33H44O14 664.273106 NA MeJP NA NA +MJ089318 4,18:11,16:15,16-Triepoxy-7,14-clerodadiene-2,3,6,19-tetrol, 3-(2R*,3R*-Diacetoxy-2-methylbutanoyl), 6,19-di-Ac C33H44O14 664.273106 NA MeJP NA NA +MJ089319 4,18:11,16:15,16-Triepoxy-7,14-clerodadiene-2,3,6,19-tetrol, 3-(2R*,3S*-Diacetoxy-2-methylbutanoyl), 6,19-di-Ac C33H44O14 664.273106 NA MeJP NA NA +MJ089320 Azadirachtin F C33H44O14 664.273106 NA MeJP NA NA +MJ089321 Azadirachtin; 11-Deoxy, O1-detigloyl, O3-de-Ac, O3-(2-methylbutanoyl) C33H44O14 664.273106 NA MeJP NA NA +PJ013911 KEEEM C26H44N6O12S 664.2738 NA PeJP NA NA +PJ013912 GPVMMM C27H48N6O7S3 664.2747 NA PeJP NA NA +PJ013913 SCNRW C27H40N10O8S 664.2751 NA PeJP NA NA +PJ013914 GGSCRW C27H40N10O8S 664.2752 NA PeJP NA NA +MJ089322 Maytansinol; 15-Methoxy, 3-O-(2-methylpropanoyl) C33H45ClN2O10 664.276273 NA MeJP NA NA +MJ089323 Maytansinol; 15R-Hydroxy, 3-O-(3-methylbutanoyl) C33H45ClN2O10 664.276273 NA MeJP NA NA +MJ089324 Maytansinol; 15S-Hydroxy, 3-O-(3-methylbutanoyl) C33H45ClN2O10 664.276273 NA MeJP NA NA +MJ089325 Maytansinol; 3-O-(3-Hydroxy-3-methylbutanoyl) C33H45ClN2O10 664.276273 NA MeJP NA NA +MJ089326 Maytansinol; 3-O-(3-Hydroxymethylbutanoyl) C33H45ClN2O10 664.276273 NA MeJP NA NA +MJ089327 Maytansinol; 30-Hydroxy, 3-O-(3-methylbutanoyl) C33H45ClN2O10 664.276273 NA MeJP NA NA +PJ013915 SSSNDR C23H40N10O13 664.2777 NA PeJP NA NA +PJ013916 NNMMR C24H44N10O8S2 664.2785 NA PeJP NA NA +EUR437 Methylcobalamine (degrade en cobalamine) F2 F2 664.279675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR437 Methylcobalamine (degrade en cobalamine) F2 NA 664.279675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR437 Methylcobalamine (degrade en cobalamine) F2 F2 664.279675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR437 Methylcobalamine (degrade en cobalamine) F2 NA 664.279675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR437 Methylcobalamine (degrade en cobalamine) F2 F2 664.279675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR437 Methylcobalamine (degrade en cobalamine) F2 NA 664.279675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR437 Methylcobalamine (degrade en cobalamine) F2 F2 664.279675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR437 Méthylcobalamine (dégradé en cobalamine) F2 F2 664.279675 standards wishlist analysés sur QTOF HMDB NA NA +EUR437 Methylcobalamine (degrade en cobalamine) F2 F2 664.279675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR437 Methylcobalamine (degrade en cobalamine) F2 NA 664.279675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR437 Methylcobalamine (degrade en cobalamine) F2 F2 664.279675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR437 Methylcobalamine (degrade en cobalamine) F2 F2 664.279675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ089328 Antibiotic WIN 64821 C40H36N6O4 664.279803 NA MeJP NA NA +MJ089329 Asperazine C40H36N6O4 664.279803 NA MeJP NA NA +PJ013917 GSSTQW C28H40N8O11 664.2817 NA PeJP NA NA +PJ013918 CKMHF C29H44N8O6S2 664.2825 NA PeJP NA NA +PJ013919 GTTQQM C25H44N8O11S 664.285 NA PeJP NA NA +PJ013920 TEEMR C25H44N8O11S 664.2851 NA PeJP NA NA +PJ013921 APEYW C33H40N6O9 664.2857 NA PeJP NA NA +PJ013922 PMMMR C26H48N8O6S3 664.2859 NA PeJP NA NA +PJ013923 HHWW C34H36N10O5 664.287 NA PeJP NA NA +MJ089330 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-Cinnamoyl, 2,7,10,13-tetra-Ac C37H44O11 664.288362 NA MeJP NA NA +MJ089331 4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 13-Ketone, 5-cinnamoyl(E-), 2,7,9,10-tetra-Ac C37H44O11 664.288362 NA MeJP NA NA +MJ089332 Taxuspine C; 7?-Acetoxy C37H44O11 664.288362 NA MeJP NA NA +PJ013924 SLEMW C30H44N6O9S 664.2891 NA PeJP NA NA +MJ089333 Cimiciduphytine C38H40N4O7 664.289699 NA MeJP NA NA +PJ013925 CCQRR C23H44N12O7S2 664.2898 NA PeJP NA NA +MJ089334 Muracein A C26H44N6O14 664.29155 NA MeJP NA NA +PJ013926 SSTLEE C26H44N6O14 664.2916 NA PeJP NA NA +PJ013927 AALEMM C27H48N6O9S2 664.2924 NA PeJP NA NA +PJ013928 GVVEMM C27H48N6O9S2 664.2925 NA PeJP NA NA +PJ013929 NNDFR C27H40N10O10 664.2929 NA PeJP NA NA +PJ013930 GSSQMR C24H44N10O10S 664.2963 NA PeJP NA NA +PJ013931 GQQFW C32H40N8O8 664.2969 NA PeJP NA NA +PJ013932 SNKMW C29H44N8O8S 664.3003 NA PeJP NA NA +PJ013933 SSSQKE C25H44N8O13 664.3028 NA PeJP NA NA +PJ013934 VEMMR C26H48N8O8S2 664.3037 NA PeJP NA NA +PJ013935 SEHHR C26H40N12O9 664.3041 NA PeJP NA NA +PJ013936 PCLFW C34H44N6O6S 664.3043 NA PeJP NA NA +7563 ACE inhibitor from soy hydrolysate YLAGNQ 664.3059 antioxidative Inhouse_peptide NA peptide +PJ013937 PKEEY C30H44N6O11 664.3068 NA PeJP NA NA +PJ013938 GSSCRR C23H44N12O9S 664.3075 NA PeJP NA NA +PJ013939 VVMMW C31H48N6O6S2 664.3077 NA PeJP NA NA +PJ013940 SVHHW C31H40N10O7 664.3082 NA PeJP NA NA +MJ089335 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 3-Furancarbonyl, bis(2-methylbutanoyl), di-Ac C34H48O13 664.309491 NA MeJP NA NA +MJ089336 8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 3,12-Dibutanoyl, 2,9,14-tri-Ac C34H48O13 664.309491 NA MeJP NA NA +MJ089337 Macrolactin A; 7-O-(6-O-Succinoyl-?-D-glucopyranoside) C34H48O13 664.309491 NA MeJP NA NA +MJ089338 p-Mentha-1,3,5-triene-2,3-diol; 3-O-[3-O-Acetyl-?-D-fucopyranosyl-(1?3)-2,4-di-O-angeloyl-6-deoxy-?-D-glucopyranoside] C34H48O13 664.309491 NA MeJP NA NA +MJ089339 p-Mentha-1,3,5-triene-2,3-diol; 3-O-[4-O-Acetyl-?-D-fucopyranosyl-(1?3)-2,4-di-O-angeloyl-6-deoxy-?-D-glucopyranoside] C34H48O13 664.309491 NA MeJP NA NA +MJ089340 p-Mentha-1,3,5-triene-2,3-diol; 3-O-[4-O-Angeloyl-?-D-fucopyranosyl-(1?3)-4-O-acetyl-2-O-angeloyl-?-D-fucopyranoside] C34H48O13 664.309491 NA MeJP NA NA +3804 NA YPWSL 664.31 ACE inhibitor Inhouse_peptide NA peptide +PJ013941 ATTLEM C27H48N6O11S 664.3102 NA PeJP NA NA +PJ013942 LQMHH C28H44N10O7S 664.3115 NA PeJP NA NA +PJ013943 GALMHH C28H44N10O7S 664.3116 NA PeJP NA NA +PJ013944 SSSTQR C24H44N10O12 664.314 NA PeJP NA NA +PJ013945 CQKMR C25H48N10O7S2 664.3149 NA PeJP NA NA +PJ013946 GSSTKW C29H44N8O10 664.3181 NA PeJP NA NA +7797 Antioxidant peptide derived from bovine b- and k-casein ARHPHPHLSFM 664.3202 MH2+ Inhouse_peptide NA peptide +MJ089341 Pimaricin; Amide C33H48N2O12 664.320725 NA MeJP NA NA +PJ013947 GSDKKM C26H48N8O10S 664.3214 NA PeJP NA NA +PJ013948 SPLYW C34H44N6O8 664.3221 NA PeJP NA NA +PJ013949 CLHHR C27H44N12O6S 664.3228 NA PeJP NA NA +PJ013950 AAPLMY C31H48N6O8S 664.3255 NA PeJP NA NA +PJ013951 CCKRR C24H48N12O6S2 664.3261 NA PeJP NA NA +PJ013952 TTTTLE C27H48N6O13 664.328 NA PeJP NA NA +PJ013953 GTLLMM C28H52N6O8S2 664.3288 NA PeJP NA NA +PJ013954 AQQRY C28H44N10O9 664.3293 NA PeJP NA NA +PJ013955 GSSKMR C25H48N10O9S 664.3327 NA PeJP NA NA +PJ013956 GQKFW C33H44N8O7 664.3333 NA PeJP NA NA +PJ013957 TCKKW C30H48N8O7S 664.3367 NA PeJP NA NA +PJ013958 SSSKKE C26H48N8O12 664.3392 NA PeJP NA NA +PJ013959 QKKMM C27H52N8O7S2 664.3401 NA PeJP NA NA +PJ013960 GNRRY C27H44N12O8 664.3405 NA PeJP NA NA +PJ013961 LLQEY C31H48N6O10 664.3432 NA PeJP NA NA +PJ013962 PKHHF C32H44N10O6 664.3446 NA PeJP NA NA +MJ089342 2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-(6-Methylheptanoyl), 3-angeloyl, 8-(2-methylbutanoyl), 10-Ac C35H52O12 664.345877 NA MeJP NA NA +MJ089343 2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-Octanoyl, 3-angeloyl, 8-(2-methylbutanoyl), 10-Ac C35H52O12 664.345877 NA MeJP NA NA +MJ089344 21,23:22,28:26,28-Triepoxystigmasta-7,9(11)-diene-3,16,21,24-tetrol, 3-O-?-D-Glucopyranoside C35H52O12 664.345877 NA MeJP NA NA +MJ089345 22,28-Epoxy-3,24,26,28-tetrahydroxystigmasta-8,14-dien-21,23-olide, 3-O-?-D-Glucopyranoside C35H52O12 664.345877 NA MeJP NA NA +MJ089346 8,19-Epoxy-1(15)-trinervitene-2,3,7,9,14,17-hexol, 2,3,9,14,17-Pentapropanoyl C35H52O12 664.345877 NA MeJP NA NA +MJ089347 8,19-Epoxy-17-methyl-1(15)-trinervitene-2,3,7,9,14,17-hexol, 2,3,9,14-Tetrapropanoyl, 17-Ac C35H52O12 664.345877 NA MeJP NA NA +MJ089348 Cayaponoside D3b; 22-Ketone C35H52O12 664.345877 NA MeJP NA NA +MJ089349 Cayaponoside D3b; 23,24-Didehydro (E-) C35H52O12 664.345877 NA MeJP NA NA +MJ089350 Fevicordin F; 2-O-?-D-Glucopyranoside C35H52O12 664.345877 NA MeJP NA NA +MJ089351 Fevicordin F; 23,24-Dihydro, 22-ketone, 2-O-?-D-glucopyranoside C35H52O12 664.345877 NA MeJP NA NA +MJ089352 Premyrsinol; 5,17-Bis(2-methylpropanoyl), 3-propanoyl, 7,13-di-Ac C35H52O12 664.345877 NA MeJP NA NA +PJ013963 STTLLM C28H52N6O10S 664.3466 NA PeJP NA NA +PJ013964 LKMHH C29H48N10O6S 664.3479 NA PeJP NA NA +MJ089353 Cholestane-3,6,7,15,24-pentol, 24-O-?-D-Xylopyranoside, 15-sulfate C32H56O12S 664.349247 NA MeJP NA NA +MJ089354 Cholestane-3,6,8,15,24-pentol, 24-O-?-D-Xylopyranoside, 3-sulfate C32H56O12S 664.349247 NA MeJP NA NA +MJ089355 Cholestane-3,6,8,15,24-pentol, 24-O-?-D-Xylopyranoside, 6-sulfate C32H56O12S 664.349247 NA MeJP NA NA +MJ089356 Cholestane-3,6,8,15,24-pentol, 3-O-?-D-Xylopyranoside, 24-sulfate C32H56O12S 664.349247 NA MeJP NA NA +MJ089357 Cholestane-3,6,8,15,24-pentol, 24-O-(5-O-Sulfo-?-D-xylofuranoside) C32H56O12S 664.349247 NA MeJP NA NA +MJ089358 Cholestane-3,6,8,15,24-pentol, 24-O-(5-O-Sulfo-?-L-arabinofuranoside) C32H56O12S 664.349247 NA MeJP NA NA +MJ089359 Cholestane-3,6,8,15,24-pentol, 24-O-?-D-Xylopyranoside, 3-sulfate C32H56O12S 664.349247 NA MeJP NA NA +MJ089360 Cholestane-3,6,8,15,24-pentol, 3-O-?-D-Xylopyranoside, 24-sulfate C32H56O12S 664.349247 NA MeJP NA NA +MJ089361 Cholestane-3,6,8,15,24-pentol, 24-O-(3-O-Sulfo-?-D-xylopyranoside) C32H56O12S 664.349247 NA MeJP NA NA +MJ089362 Cholestane-3,6,8,15,24-pentol, 24-O-?-L-Arabinofuranoside, 6-sulfate C32H56O12S 664.349247 NA MeJP NA NA +PJ013965 SSSTKR C25H48N10O11 664.3504 NA PeJP NA NA +PJ013966 CKKMR C26H52N10O6S2 664.3513 NA PeJP NA NA +PJ013967 VQQKY C30H48N8O9 664.3544 NA PeJP NA NA +PJ013968 VVERY C30H48N8O9 664.3545 NA PeJP NA NA +PJ013969 GTTKKM C27H52N8O9S 664.3578 NA PeJP NA NA +PJ013970 ALLYW C35H48N6O7 664.3585 NA PeJP NA NA +PJ013971 AALLMF C32H52N6O7S 664.3619 NA PeJP NA NA +PJ013972 AQKRY C29H48N10O8 664.3657 NA PeJP NA NA +PJ013973 GKKFW C34H48N8O6 664.3697 NA PeJP NA NA +PJ013974 VLMFR C31H52N8O6S 664.3731 NA PeJP NA NA +PJ013975 STTTKK C27H52N8O11 664.3756 NA PeJP NA NA +PJ013976 KKKMM C28H56N8O6S2 664.3764 NA PeJP NA NA +PJ013977 PQKHR C28H48N12O7 664.3769 NA PeJP NA NA +PJ013978 LLKEY C32H52N6O9 664.3796 NA PeJP NA NA +MJ089363 2,16,20,22-Tetrahydroxy-5,24-cucurbitadiene-3,11-dione, 2-O-?-D-Glucopyranoside C36H56O11 664.382262 NA MeJP NA NA +MJ089364 2,3,16,20,26-Pentahydroxycucurbita-5,24-dien-11-one, 3-Ketone, 2-O-?-D-glucopyranoside C36H56O11 664.382262 NA MeJP NA NA +MJ089365 2,3,19,24-Tetrahydroxy-12-oleanen-28-oic acid, 24-Aldehyde, ?-D-glucopyranosyl ester C36H56O11 664.382262 NA MeJP NA NA +MJ089366 2,3,19,24-Tetrahydroxy-12-ursen-28-oic acid, 24-Aldehyde, ?-D-glucopyranosyl ester C36H56O11 664.382262 NA MeJP NA NA +MJ089367 2,3,19-Trihydroxy-12-oleanen-28-oic acid, ?-D-Glucuronopyranosyl ester C36H56O11 664.382262 NA MeJP NA NA +MJ089368 2,3,19-Trihydroxy-23-oxo-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H56O11 664.382262 NA MeJP NA NA +MJ089369 2,3,23-Trihydroxy-11-oxo-12-oleanen-28-oic acid, ?-D-Glucopyranosyl ester C36H56O11 664.382262 NA MeJP NA NA +MJ089370 2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Xylopyranoside, 30-Me ester C36H56O11 664.382262 NA MeJP NA NA +MJ089371 2,3,6,23-Tetrahydroxy-12,18-ursadien-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H56O11 664.382262 NA MeJP NA NA +MJ089372 2,3,6,23-Tetrahydroxy-12,19(29)-ursadien-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H56O11 664.382262 NA MeJP NA NA +MJ089373 2,3,6,23-Tetrahydroxy-12,19-ursadien-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H56O11 664.382262 NA MeJP NA NA +MJ089374 2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside C36H56O11 664.382262 NA MeJP NA NA +MJ089375 20,24-Epoxy-2,3,16,25,26-pentahydroxycucurbit-5-en-11-one, 26-Deoxy, 3-ketone, 2-O-?-D-glucopyranoside C36H56O11 664.382262 NA MeJP NA NA +MJ089376 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C36H56O11 664.382262 NA MeJP NA NA +MJ089377 3,14-Dihydroxycard-20(22)-enolide, 3-O-[6-Deoxy-3-O-methylglucopyranosyl-(1??)-2,6-dideoxy-ribo-hexopyranoside] C36H56O11 664.382262 NA MeJP NA NA +MJ089378 3,16,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside C36H56O11 664.382262 NA MeJP NA NA +MJ089379 3,16-Dihydroxy-12-oleanene-23,28-dioic acid, 28-O-?-D-Glucopyranosyl ester C36H56O11 664.382262 NA MeJP NA NA +MJ089380 3,19,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside C36H56O11 664.382262 NA MeJP NA NA +MJ089381 3,19-Dihydroxy-12-ursene-23,28-dioic acid, 28-O-?-D-Glucopyranosyl ester C36H56O11 664.382262 NA MeJP NA NA +MJ089382 3,19-Dihydroxy-12-ursene-24,28-dioic acid, 28-O-?-D-Glucopyranosyl ester C36H56O11 664.382262 NA MeJP NA NA +MJ089383 3,23,29-Trihydroxy-12-oleanen-28-oic acid, 23-Carboxylic acid, 28-?-D-glucopyranosyl ester C36H56O11 664.382262 NA MeJP NA NA +MJ089384 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C36H56O11 664.382262 NA MeJP NA NA +C08968 Phytolaccoside B C36H56O11 664.3823 NA KEGG NA NA +PJ013979 TLLRY C31H52N8O8 664.3908 NA PeJP NA NA +PJ013980 GGPPPLK C31H52N8O8 664.3909 NA PeJP NA NA +MJ089385 2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) C40H56O8 664.397518 NA MeJP NA NA +MJ089386 2,3,24-Trihydroxy-12-ursen-28-oic acid, 24-(4-Hydroxy-3-methoxycinnamoyl)(E-) C40H56O8 664.397518 NA MeJP NA NA +MJ089387 3,19,24-Trihydroxy-12-ursen-28-oic acid, 24-O-(3-Hydroxy-4-methoxycinnamoyl) C40H56O8 664.397518 NA MeJP NA NA +MJ089388 Bisandrographolide A C40H56O8 664.397518 NA MeJP NA NA +MJ089389 Nephila maculata Neurotoxin 3 C30H52N10O7 664.402044 NA MeJP NA NA +PJ013981 AKKRY C30H52N10O7 664.4021 NA PeJP NA NA +MJ089390 Bisdequalinium(2+); Dichloride C40H58Cl2N4 664.403853 NA MeJP NA NA +PJ013982 PKKHR C29H52N12O6 664.4133 NA PeJP NA NA +MJ089391 2-Methyl-2-(polyprenylmethyl)-2H-1-benzopyran-6-ol; 2-(Hexaprenylmethyl)-2-methyl-2H-1-benzopyran-6-ol, Sulfate C41H60O5S 664.416145 NA MeJP NA NA +MJ089392 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2-O-Acetyl-?-D-xylopyranoside) C37H60O10 664.418648 NA MeJP NA NA +MJ089393 21,23-Epoxycycloart-24-ene-3,21,22,29-tetrol, 21-Me ether, 3-O-?-D-glucopyranoside C37H60O10 664.418648 NA MeJP NA NA +MJ089394 3,7,15-Trihydroxy-24-methylenelanost-8-en-21-oic acid, 7-O-?-D-Glucopyranoside C37H60O10 664.418648 NA MeJP NA NA +MJ089395 Cholesta-5,24-diene-3,11,16,22-tetrol, 24,25-Dihydro, 16-O-(2,3-di-O-acetyl-?-L-rhamnopyranoside) C37H60O10 664.418648 NA MeJP NA NA +MJ089396 Flavofungin; Flavofungin II C37H60O10 664.418648 NA MeJP NA NA +PJ013983 VKKKY C32H56N8O7 664.4272 NA PeJP NA NA +MJ089397 3,21-Dihydroxy-28-oleananoic acid, 3-O-(3,4-Dihydroxy-E-cinnamoyl) C41H60O7 664.433904 NA MeJP NA NA +PJ013984 PPLLLL C34H60N6O7 664.4524 NA PeJP NA NA +MJ089398 Dammar-24-ene-3,11,20-triol, 3-O-[2-O-Acetyl-?-D-glucopyranoside] C38H64O9 664.455033 NA MeJP NA NA +MJ089399 Petroformyne 1; 3,44-Diketone C46H64O3 664.485545 NA MeJP NA NA +MJ089400 Petroformyne 1; 8,9,14,15-Tetradehydro(Z,Z-), 12,13-dihydro, 3-ketone C46H64O3 664.485545 NA MeJP NA NA +MJ089401 Antibiotic BE 39891 C39H68O8 664.491419 NA MeJP NA NA +MJ089402 Tonkinesin A; 5-Ketone, 15,22-diepimer, 17-Ac C39H68O8 664.491419 NA MeJP NA NA +MJ089403 Tonkinesin A; 5-Ketone, 17-Ac C39H68O8 664.491419 NA MeJP NA NA +MJ089404 Uvaribonin; 5-Ketone C39H68O8 664.491419 NA MeJP NA NA +MJ089405 Squalamine; 24-Desulfo, 24-ketone, 26-(2-amino-2-carboxyethylthio) C37H68N4O4S 664.496127 NA MeJP NA NA +HMDB05238 DG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C43H68O5 664.50665 http://www.hmdb.ca/metabolites/HMDB05238 HMDB NA NA +HMDB05238 DG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C43H68O5 664.50665 HMDB05238 PFEM_hmdb_metabocards_official NA NA +HMDB07266 DG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07293 DG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07294 DG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07322 DG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07323 DG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07350 DG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07462 DG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07491 DG(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07518 DG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07519 DG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07547 DG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07548 DG(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07574 DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07575 DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07686 DG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07713 DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07714 DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07742 DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07743 DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +HMDB07770 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/0:0) C43H68O5 664.506653 NA HMDB2010 NA NA +MJ089406 13,14-Secocholest-7-ene-3,6,26-triol, 3,26-Di-(5,7-Octadienoyl) C43H68O5 664.506675 NA MeJP NA NA +MJ089407 Variabilin, 18-Octadecanoyl C43H68O5 664.506675 NA MeJP NA NA +MJ089408 3-Hydroxy-13,14-secocholest-5-en-26-oic acid, 3-(11,13,15-Hexadecatrienoyl), Me ester C44H72O4 664.54306 NA MeJP NA NA +MJ089409 3-Hydroxystigmasta-5,22-dien-1-one, O-Hexadecanoyl C45H76O3 664.579446 NA MeJP NA NA +HMDB07094 DG(15:0/24:1(15Z)/0:0) C42H80O5 664.600586 NA HMDB2010 NA NA +HMDB07822 DG(24:1(15Z)/15:0/0:0) C42H80O5 664.600586 NA HMDB2010 NA NA +MJ089410 12-Lupen-3-ol, Hexadecanoyl C46H80O2 664.615831 NA MeJP NA NA +MJ089411 12-Oleanen-3-ol, O-Hexadecanoyl C46H80O2 664.615831 NA MeJP NA NA +MJ089412 12-Ursen-3-ol, Hexadecanoyl C46H80O2 664.615831 NA MeJP NA NA +MJ089413 18-Oleanen-3-ol, O-Hexadecanoyl C46H80O2 664.615831 NA MeJP NA NA +MJ089414 20(29)-Lupen-3-ol, Hexadecanoyl C46H80O2 664.615831 NA MeJP NA NA +MJ089415 20(30)-Taraxasten-3-ol, Hexadecanoyl C46H80O2 664.615831 NA MeJP NA NA +MJ089416 5-Glutinen-3-ol, 3-Hexadecanoyl C46H80O2 664.615831 NA MeJP NA NA +MJ089417 7-Multifloren-3-ol, Hexadecanoyl C46H80O2 664.615831 NA MeJP NA NA +MJ089418 9(11)-Fernen-20-ol; 20?-form, 20-Hexadecanoyl C46H80O2 664.615831 NA MeJP NA NA +MJ089419 9(11)-Fernen-3-ol, Hexadecanoyl C46H80O2 664.615831 NA MeJP NA NA +MJ089420 Achilleol A; Hexadecanoyl C46H80O2 664.615831 NA MeJP NA NA +MJ089421 Ergost-5-en-3-ol, 9Z-Octadecenoyl C46H80O2 664.615831 NA MeJP NA NA +EUR438 Methylcobalamine (degrade en cobalamine) F3 F3 664.781475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR438 Methylcobalamine (degrade en cobalamine) F3 NA 664.781475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR438 Methylcobalamine (degrade en cobalamine) F3 F3 664.781475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR438 Methylcobalamine (degrade en cobalamine) F3 NA 664.781475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR438 Methylcobalamine (degrade en cobalamine) F3 F3 664.781475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR438 Methylcobalamine (degrade en cobalamine) F3 NA 664.781475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR438 Methylcobalamine (degrade en cobalamine) F3 F3 664.781475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR438 Méthylcobalamine (dégradé en cobalamine) F3 F3 664.781475 standards wishlist analysés sur QTOF HMDB NA NA +EUR438 Methylcobalamine (degrade en cobalamine) F3 F3 664.781475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR438 Methylcobalamine (degrade en cobalamine) F3 NA 664.781475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR438 Methylcobalamine (degrade en cobalamine) F3 F3 664.781475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR438 Methylcobalamine (degrade en cobalamine) F3 F3 664.781475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +7673 ACE inhibitor from b-CN (48-59), mouse HSSIQSQPQAFT 664.808 MH2+ Inhouse_peptide NA peptide +HMDB01179 Nicotinic acid adenine dinucleotide C21H27N6O15P2 665.100952 NA HMDB2010 NA NA +MJ089422 Deamino-NAD+ C21H27N6O15P2 665.100962 NA MeJP NA NA +MetaCyc04024 deamido-NAD [Deamino-NAD+;NaADN;deamido-NAD+;deamidonicotinamide adenine dinucleoetide;nicotinate adenine dinucleotide;NAAD;] C21H27N6O15P2 665.100962 6450-77-7 metacyc NA NA +C00857 Deamino-NAD+ C21H27N6O15P2 665.101 NA KEGG NA NA +C04423 Nicotinamide hypoxanthine dinucleotide C21H27N6O15P2 665.101 NA KEGG NA NA +HMDB01487 NADH C21H29N7O14P2 665.124756 NA HMDB2010 NA NA +HMDB01487 NADH C21H29N7O14P2 665.12476 http://www.hmdb.ca/metabolites/HMDB01487 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01487 NADH C21H29N7O14P2 665.12476 http://www.hmdb.ca/metabolites/HMDB01487 HMDB NA NA +HMDB01487 NADH C21H29N7O14P2 665.12476 http://www.hmdb.ca/metabolites/HMDB01487 PFEM_hmdb_metabocards_blood NA blood +HMDB01487 NADH C21H29N7O14P2 665.12476 HMDB01487 PFEM_hmdb_metabocards_official NA NA +MJ089423 NADH C21H29N7O14P2 665.124771 NA MeJP NA NA +MetaCyc04025 NADH [NADH2;NADH2;dihydrodiphosphopyridine nucleotide;diphosphopyridine nucleotide reduced;dihydronicotinamide adenine dinucleotide;nicotinamide adenine dinucleotide reduced;NAD-reduced;NADH+H+;DPNH;] C21H29N7O14P2 665.124772 53-84-9 metacyc NA NA +C00004 NADH C21H29N7O14P2 665.1248 NA KEGG NA NA +FL7AAAGA0007 Pelargonidin 3-O-[2-O-(beta-D-xylopyranosyl)-6-O-(methyl-malonyl)-bata-D-galactopyranoside] C30H33O17 665.17177 345306-91-4 knapsack NA NA +PJ013985 SCCCNH C22H35N9O9S3 665.172 NA PeJP NA NA +PJ013986 PCCNDD C23H35N7O12S2 665.1785 NA PeJP NA NA +PJ013987 GGPCCDD C23H35N7O12S2 665.1786 NA PeJP NA NA +PJ013988 CCDYY C28H35N5O10S2 665.1826 NA PeJP NA NA +PJ013989 GNDDDM C23H35N7O14S 665.1963 NA PeJP NA NA +PJ013990 GSPPCCC C24H39N7O9S3 665.1972 NA PeJP NA NA +PJ013991 CCMFY C29H39N5O7S3 665.2012 NA PeJP NA NA +PJ013992 SCNNND C22H35N9O13S 665.2075 NA PeJP NA NA +PJ013993 GGGGGGSCD C22H35N9O13S 665.2076 NA PeJP NA NA +PJ013994 CNDEW C27H35N7O11S 665.2116 NA PeJP NA NA +PJ013995 SSNDDE C23H35N7O16 665.214 NA PeJP NA NA +PJ013996 GGSSDDE C23H35N7O16 665.2141 NA PeJP NA NA +PJ013997 SPCNDM C24H39N7O11S2 665.2149 NA PeJP NA NA +PJ013998 SCMYY C29H39N5O9S2 665.2189 NA PeJP NA NA +PJ013999 EEEEM C25H39N5O14S 665.2214 NA PeJP NA NA +MJ089424 Scleroderris green C38H35NO10 665.226096 NA MeJP NA NA +PJ014000 GCNNQM C23H39N9O10S2 665.2262 NA PeJP NA NA +PJ014001 GCDWW C31H35N7O8S 665.2268 NA PeJP NA NA +PJ014002 GSSDDW C27H35N7O13 665.2293 NA PeJP NA NA +PJ014003 GPTCCW C28H39N7O8S2 665.2302 NA PeJP NA NA +PJ014004 GSNEEM C24H39N7O13S 665.2327 NA PeJP NA NA +PJ014005 APCNMM C25H43N7O8S3 665.2335 NA PeJP NA NA +PJ014006 GPCQMM C25H43N7O8S3 665.2336 NA PeJP NA NA +PJ014007 CCFFF C33H39N5O6S2 665.2342 NA PeJP NA NA +EUR439 Methylcobalamine (degrade en cobalamine) F4 F4 665.235275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR439 Methylcobalamine (degrade en cobalamine) F4 NA 665.235275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR439 Methylcobalamine (degrade en cobalamine) F4 F4 665.235275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR439 Methylcobalamine (degrade en cobalamine) F4 NA 665.235275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR439 Methylcobalamine (degrade en cobalamine) F4 F4 665.235275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR439 Methylcobalamine (degrade en cobalamine) F4 NA 665.235275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR439 Methylcobalamine (degrade en cobalamine) F4 F4 665.235275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR439 Méthylcobalamine (dégradé en cobalamine) F4 F4 665.235275 standards wishlist analysés sur QTOF HMDB NA NA +EUR439 Methylcobalamine (degrade en cobalamine) F4 F4 665.235275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR439 Methylcobalamine (degrade en cobalamine) F4 NA 665.235275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR439 Methylcobalamine (degrade en cobalamine) F4 F4 665.235275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR439 Methylcobalamine (degrade en cobalamine) F4 F4 665.235275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ014008 GCCNNR C22H39N11O9S2 665.2374 NA PeJP NA NA +PJ014009 DEEHH C26H35N9O12 665.2406 NA PeJP NA NA +PJ014010 GSCDER C23H39N9O12S 665.2439 NA PeJP NA NA +PJ014011 GPCCMR C24H43N9O7S3 665.2448 NA PeJP NA NA +PJ014012 SNEMW C28H39N7O10S 665.2479 NA PeJP NA NA +PJ014013 SSSQEE C24H39N7O15 665.2504 NA PeJP NA NA +PJ014014 QQEMM C25H43N7O10S2 665.2513 NA PeJP NA NA +PJ014015 GSNDHH C25H35N11O11 665.2518 NA PeJP NA NA +PJ014016 ACFYY C33H39N5O8S 665.2519 NA PeJP NA NA +PJ014017 SCFFY C33H39N5O8S 665.252 NA PeJP NA NA +PJ014018 PEEEY C29H39N5O13 665.2545 NA PeJP NA NA +PJ014019 SCDRW C27H39N9O9S 665.2592 NA PeJP NA NA +PJ014020 SSSDDR C23H39N9O14 665.2617 NA PeJP NA NA +PJ014021 NDMMR C24H43N9O9S2 665.2625 NA PeJP NA NA +PJ014022 GGDMMR C24H43N9O9S2 665.2626 NA PeJP NA NA +PJ014023 GSMWW C32H39N7O7S 665.2632 NA PeJP NA NA +PJ014024 GSSTEW C28H39N7O12 665.2657 NA PeJP NA NA +PJ014025 AQMMW C29H43N7O7S2 665.2666 NA PeJP NA NA +PJ014026 GSDKEM C25H43N7O12S 665.2691 NA PeJP NA NA +PJ014027 GTYYY C33H39N5O10 665.2697 NA PeJP NA NA +PJ014028 GPCKMM C26H47N7O7S3 665.2699 NA PeJP NA NA +PJ014029 NQMHH C26H39N11O8S 665.2704 NA PeJP NA NA +PJ014030 CCERR C23H43N11O8S2 665.2738 NA PeJP NA NA +PJ014031 NNQQY C27H39N9O11 665.2769 NA PeJP NA NA +PJ014032 GGGGGGAAY C27H39N9O11 665.277 NA PeJP NA NA +PJ014033 ACMRW C28H43N9O6S2 665.2778 NA PeJP NA NA +PJ014034 GSSEMR C24H43N9O11S 665.2803 NA PeJP NA NA +PJ014035 SSTWW C32H39N7O9 665.2809 NA PeJP NA NA +PJ014036 GGSPYW C32H39N7O9 665.281 NA PeJP NA NA +PJ014037 CNHHR C25H39N13O7S 665.2816 NA PeJP NA NA +PJ014038 GGCHHR C25H39N13O7S 665.2817 NA PeJP NA NA +PJ014039 SDKMW C29H43N7O9S 665.2843 NA PeJP NA NA +PJ014040 SSSKEE C25H43N7O14 665.2868 NA PeJP NA NA +PJ014041 QKEMM C26H47N7O9S2 665.2877 NA PeJP NA NA +PJ014042 GSTQHH C26H39N11O10 665.2882 NA PeJP NA NA +PJ014043 LEEEF C30H43N5O12 665.2909 NA PeJP NA NA +PJ014044 PEHHF C31H39N9O8 665.2922 NA PeJP NA NA +PJ014045 SSMRW C28H43N9O8S 665.2955 NA PeJP NA NA +PJ014046 GAPCRY C28H43N9O8S 665.2956 NA PeJP NA NA +PJ014047 QFWW C36H39N7O6 665.2962 NA PeJP NA NA +PJ014048 SSSTER C24H43N9O13 665.2981 NA PeJP NA NA +PJ014049 TQMMR C25H47N9O8S2 665.2989 NA PeJP NA NA +PJ014050 CLHFF C33H43N7O6S 665.2996 NA PeJP NA NA +PJ014051 SSSSLW C29H43N7O11 665.3021 NA PeJP NA NA +PJ014052 AKMMW C30H47N7O6S2 665.3029 NA PeJP NA NA +PJ014053 VCKMW C30H47N7O6S2 665.303 NA PeJP NA NA +C08073 Natamycin C33H47NO13 665.3047 NA KEGG NA NA +MJ089425 Pimaricin C33H47NO13 665.30474 NA MeJP NA NA +PJ014054 GTTKEM C26H47N7O11S 665.3054 NA PeJP NA NA +PJ014055 ASTKEM C26H47N7O11S 665.3055 NA PeJP NA NA +PJ014056 GPPCHR C27H43N11O7S 665.3068 NA PeJP NA NA +PJ014057 TCMRR C24H47N11O7S2 665.3102 NA PeJP NA NA +PJ014058 AQERY C28H43N9O10 665.3133 NA PeJP NA NA +PJ014059 VHHHH C29H39N13O6 665.3147 NA PeJP NA NA +PJ014060 GTTTMR C25H47N9O10S 665.3167 NA PeJP NA NA +PJ014061 GLQYW C33H43N7O8 665.3173 NA PeJP NA NA +MJ089426 Dianthin A C33H43N7O8 665.317311 NA MeJP NA NA +PJ014062 GGAAPFF C33H43N7O8 665.3174 NA PeJP NA NA +PJ014063 TTKMW C30H47N7O8S 665.3207 NA PeJP NA NA +PJ014064 STTTKE C26H47N7O13 665.3232 NA PeJP NA NA +PJ014065 KKEMM C27H51N7O8S2 665.3241 NA PeJP NA NA +PJ014066 GDRRY C27H43N11O9 665.3245 NA PeJP NA NA +PJ014067 GAPEHR C27H43N11O9 665.3246 NA PeJP NA NA +PJ014068 LLEEY C31H47N5O11 665.3272 NA PeJP NA NA +PJ014069 AARYW C32H43N9O7 665.3286 NA PeJP NA NA +PJ014070 PCKRY C29H47N9O7S 665.3319 NA PeJP NA NA +PJ014071 GGVMFR C29H47N9O7S 665.332 NA PeJP NA NA +PJ014072 KFWW C37H43N7O5 665.3326 NA PeJP NA NA +PJ014073 STTTTR C25H47N9O12 665.3344 NA PeJP NA NA +PJ014074 TKMMR C26H51N9O7S2 665.3353 NA PeJP NA NA +PJ014075 VQKEY C30H47N7O10 665.3385 NA PeJP NA NA +PJ014076 APHRW C31H43N11O6 665.3398 NA PeJP NA NA +PJ014077 SSTLKM C27H51N7O10S 665.3418 NA PeJP NA NA +PJ014078 GMFRR C28H47N11O6S 665.3432 NA PeJP NA NA +PJ014079 AKERY C29H47N9O9 665.3497 NA PeJP NA NA +PJ014080 GLKYW C34H47N7O7 665.3537 NA PeJP NA NA +MJ089427 Milbemycin D; 26-O-(2-Pyrrolylcarbonyloxy) C38H51NO9 665.356382 NA MeJP NA NA +PJ014081 PKKMY C31H51N7O7S 665.3571 NA PeJP NA NA +C09998 Amphibine B C39H47N5O5 665.3577 NA KEGG NA NA +MJ089428 Amphibine B C39H47N5O5 665.357719 NA MeJP NA NA +MJ089429 Scutianine A C39H47N5O5 665.357719 NA MeJP NA NA +PJ014082 ATRRY C28H47N11O8 665.3609 NA PeJP NA NA +PJ014083 PVKHW C33H47N9O6 665.365 NA PeJP NA NA +PJ014084 CLKFR C30H51N9O6S 665.3683 NA PeJP NA NA +PJ014085 PTHRR C27H47N13O7 665.3722 NA PeJP NA NA +PJ014086 VKKEY C31H51N7O9 665.3748 NA PeJP NA NA +PJ014087 GSVLKY C31H51N7O9 665.3749 NA PeJP NA NA +PJ014088 SLKRY C30H51N9O8 665.3861 NA PeJP NA NA +PJ014089 PKKFF C35H51N7O6 665.3901 NA PeJP NA NA +C13898 1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3- C32H60NO11P 665.3904 NA KEGG NA NA +C13899 Transferred to D02156 C32H60NO11P 665.3904 NA KEGG NA NA +PJ014090 LKKMF C32H55N7O6S 665.3935 NA PeJP NA NA +PJ014091 LLQHR C29H51N11O7 665.3973 NA PeJP NA NA +2656 synthetic fr, of human beta-CN (161-166) ACE inhibitor VLPIPQ 665.398 NA Inhouse_peptide NA peptide +PJ014092 VVHRR C28H51N13O6 665.4086 NA PeJP NA NA +PJ014093 PPVLLQ C32H55N7O8 665.4112 NA PeJP NA NA +PJ014094 AAPPVVL C32H55N7O8 665.4113 NA PeJP NA NA +PJ014095 APPLLR C31H55N9O7 665.4225 NA PeJP NA NA +PJ014096 LLKHR C30H55N11O6 665.4337 NA PeJP NA NA +PJ014097 PPVLLK C33H59N7O7 665.4476 NA PeJP NA NA +MJ089430 Cholest-5-ene-3,15,26-triol, 15-O-[2-(Acetylamino)-2-deoxy-?-D-glucopyranosyl], 26-Ac, 5?,6-dihydro C37H63NO9 665.450282 NA MeJP NA NA +EUR808 Lyso PC 24:1 [M-H+acetate]- C32H64NO7P 665.463142 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR808 Lyso PC 24:1 [M-H+acetate]- C32H64NO7P 665.463142 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR808 Lyso PC 24:1 [M-H+acetate]- C32H64NO7P 665.463142 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR808 Lyso PC 24:1 [M-H+acetate]- C32H64NO7P 665.463142 masses lipides attendues Inhousejuil11 NA NA +MJ089431 Ergocerebrin C42H83NO4 665.63221 NA MeJP NA NA +HMDB11770 Cer(d18:0/25:0) C43H87NO3 665.668579 NA HMDB2010 NA NA +C11340 Antimony potassium tartrate C8H4O12Sb2 665.737 NA KEGG NA NA +MJ089432 Russuphelol C26H16Cl6O8 665.897633 NA MeJP NA NA +MJ089433 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-(Di-O-sulfo-?-D-glucuronopyranoside) C23H22O19S2 666.019669 NA MeJP NA NA +MJ089434 Carpinin D; 3-O-(3,4,5-Trihydroxybenzoyl) C27H22O20 666.070443 NA MeJP NA NA +MJ089435 Astragalin; 3''-O-?-Apiofuranosyl, 6''-O-malonyl C29H30O18 666.143214 NA MeJP NA NA +MJ089436 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside] C29H31O18(+) 666.143214 NA MeJP NA NA +PJ014098 SCCCDH C22H34N8O10S3 666.156 NA PeJP NA NA +MJ089437 Garashangin; 2-O-(3,4-Dihydroxy-E-cinnamonyl) C33H30O15 666.15847 NA MeJP NA NA +MJ089438 ?-Naphthocyclinone C33H30O15 666.15847 NA MeJP NA NA +PJ014099 PCCDDD C23H34N6O13S2 666.1626 NA PeJP NA NA +PJ014100 ACCCMH C23H38N8O7S4 666.1747 NA PeJP NA NA +FL2FAAGS0021 Naringin 6''-malonate C30H34O17 666.17959 139934-59-1 knapsack NA NA +FL3FAACS0040 3,6,8-Tri-C-xylosylapigenin C30H34O17 666.17959 150697-53-3 knapsack NA NA +FL3FECGS0050 6-Hydroxyluteolin 4'-methyl eter 7-rhamnosyl-(1->2)-(6''-acetylglucoside);7-[[6-O-Acetyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one C30H34O17 666.17959 651317-75-8 knapsack NA NA +FL3FFAGS0008 Isoscutellarein 4'-methyl ether 7-(6'''-acetylallosyl)(1->2)-glucoside C30H34O17 666.17959 - knapsack NA NA +FL3FGCGS0007 5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-(3-hydroxy-3-methylglutarate)-4'-glucoside C30H34O17 666.17959 101899-84-7 knapsack NA NA +FL3FGCGS0008 5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside] C30H34O17 666.17959 101339-35-9 knapsack NA NA +FL3FGCGS0009 5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 4'-[6''-(3-hydroxy-3-methylglutaryl)glucoside] C30H34O17 666.17959 98891-96-4 knapsack NA NA +FL5FADGS0031 Isorhamnetin 3-rhamnosyl-(1->6)-(2''-acetylglucoside);Quercetin 3'-methyl ether 3-rhamnosyl-(1->6)-(2''-acetylglucoside);3-[[2-O-Acetyl-6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C30H34O17 666.17959 455253-62-0 knapsack NA NA +FL5FECGS0041 Patuletin 3-(4''-acetylrhamnoside)-7-rhamnoside C30H34O17 666.17959 160473-01-8 knapsack NA NA +FL5FECGS0042 Patuletin 3-rhamnoside-7-(2'''-acetylrhamnoside);Kalambroside B;7-[(2-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4H-1-benzopyran-4-one C30H34O17 666.17959 160473-00-7 knapsack NA NA +FL5FECGS0043 Patuletin 3-rhamnoside-7-(3'''-acetylrhamnoside) C30H34O17 666.17959 125140-14-9 knapsack NA NA +FL5FECGS0044 Patuletin 3-rhamnoside-7-(4'''-acetylrhamnoside) C30H34O17 666.17959 125140-15-0 knapsack NA NA +FLIAFCGS0003 Platycarpanetin 7-O-laminaribioside C30H34O17 666.17959 - knapsack NA NA +MJ089439 3',4',5,7,8-Pentahydroxyisoflavone; 3',4'-Methylene, 5,8-di-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] C30H34O17 666.179599 NA MeJP NA NA +MJ089440 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-(4-O-Acetyl-?-L-rhamnopyranoside), 7-O-?-L-rhamnopyranoside C30H34O17 666.179599 NA MeJP NA NA +MJ089441 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-(2-O-acetyl-?-L-rhamnopyranoside) C30H34O17 666.179599 NA MeJP NA NA +MJ089442 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-(3-O-acetyl-?-L-rhamnopyranoside) C30H34O17 666.179599 NA MeJP NA NA +MJ089443 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-(4-O-acetyl-?-L-rhamnopyranoside) C30H34O17 666.179599 NA MeJP NA NA +MJ089444 4',5,7-Trihydroxy-3',6,8-trimethoxyflavone; 4'-O-?-D-Glucopyranoside, 7-O-(4-carboxy-3-hydroxy-3-methylbutanoyl) C30H34O17 666.179599 NA MeJP NA NA +MJ089445 4',5,7-Trihydroxy-3',6,8-trimethoxyflavone; 4'-O-[6-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl)-?-D-glucopyranoside] C30H34O17 666.179599 NA MeJP NA NA +MJ089446 4',5,7-Trihydroxy-3',6,8-trimethoxyflavone; 6-O-[6-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl)-?-D-glucopyranoside] C30H34O17 666.179599 NA MeJP NA NA +MJ089447 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] C30H34O17 666.179599 NA MeJP NA NA +MJ089448 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[6-O-Acetyl-?-D-mannopyranosyl-(1?2)-?-D-glucopyranoside] C30H34O17 666.179599 NA MeJP NA NA +MJ089449 4',5,7-Trihydroxy-3,6,8-trixylosylflavone C30H34O17 666.179599 NA MeJP NA NA +MJ089450 4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside] C30H34O17 666.179599 NA MeJP NA NA +MJ089451 5,7,8-Trihydroxy-4'-methoxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-?-D-glucopyranoside] C30H34O17 666.179599 NA MeJP NA NA +MJ089452 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-acetyl-?-D-glucopyranoside) C30H35O17(+) 666.179599 NA MeJP NA NA +PJ014101 GDDDDM C23H34N6O15S 666.1803 NA PeJP NA NA +PJ014102 SCNNDD C22H34N8O14S 666.1915 NA PeJP NA NA +PJ014103 GGSCNDD C22H34N8O14S 666.1916 NA PeJP NA NA +PJ014104 SSCCMH C23H38N8O9S3 666.1924 NA PeJP NA NA +MJ089453 Eumitrin A1; 8'-Deoxy, 8',8'a?-dihydro C34H34O14 666.194855 NA MeJP NA NA +PJ014105 CDDEW C27H34N6O12S 666.1956 NA PeJP NA NA +PJ014106 SSDDDE C23H34N6O17 666.1981 NA PeJP NA NA +PJ014107 SPCDDM C24H38N6O12S2 666.1989 NA PeJP NA NA +MJ089454 ?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucose; ?-Pyranose-form, 1-O-(3,4-Dihydroxycinnamoyl) C27H38O19 666.200729 NA MeJP NA NA +PJ014108 GCNNEM C23H38N8O11S2 666.2102 NA PeJP NA NA +FL5FDFGL0001 Quercetin 5,7,3',4'-tetramethyl ether 3-rutinoside C31H38O16 666.21598 58528-03-3 knapsack NA NA +MJ089455 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-2-O-acetyl-?-D-glucopyranoside] C31H38O16 666.215985 NA MeJP NA NA +MJ089456 Sucrose; 3'-O-(3,4,5-Trimethoxycinnamoyl), 4-O-benzoyl C31H38O16 666.215985 NA MeJP NA NA +MJ089457 Sucrose; 3'-O-(3,4,5-Trimethoxycinnamoyl), 6-O-benzoyl C31H38O16 666.215985 NA MeJP NA NA +MJ089458 Tubuloside B C31H38O16 666.215985 NA MeJP NA NA +PJ014109 GSDEEM C24H38N6O14S 666.2167 NA PeJP NA NA +PJ014110 GPCEMM C25H42N6O9S3 666.2176 NA PeJP NA NA +PJ014111 GCCNDR C22H38N10O10S2 666.2214 NA PeJP NA NA +MJ089459 Cellotetraose C24H42O21 666.221858 NA MeJP NA NA +MJ089460 Stachyose C24H42O21 666.221858 NA MeJP NA NA +MJ089461 ?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-glucose C24H42O21 666.221858 NA MeJP NA NA +MJ089462 ?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-D-glucose C24H42O21 666.221858 NA MeJP NA NA +MJ089463 Bemisiotetrose C24H42O21 666.221858 NA MeJP NA NA +MJ089464 Bifurcose C24H42O21 666.221858 NA MeJP NA NA +MJ089465 Gentiotetraose C24H42O21 666.221858 NA MeJP NA NA +MJ089466 Maltotetraose C24H42O21 666.221858 NA MeJP NA NA +MJ089467 Neobifurcose C24H42O21 666.221858 NA MeJP NA NA +MJ089468 Nystose C24H42O21 666.221858 NA MeJP NA NA +MJ089469 Sesamose C24H42O21 666.221858 NA MeJP NA NA +MJ089470 Stachyose C24H42O21 666.221858 NA MeJP NA NA +MJ089471 Verbascotetraose C24H42O21 666.221858 NA MeJP NA NA +MJ089472 chiro-Inositol, 2-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?6)-?-D-galactopyranoside] C24H42O21 666.221858 NA MeJP NA NA +MetaCyc04026 1,3-α-D-mannosyl-1,2-α-D-mannosyl-1,2-α-D-mannosyl-D-mannose [] C24H42O21 666.221858 NA metacyc NA NA +MetaCyc04027 stachyose [] C24H42O21 666.221858 10094-58-3 metacyc NA NA +MetaCyc04028 1F-α-D-Galactosylraffinose [] C24H42O21 666.221858 NA metacyc NA NA +MetaCyc04029 1,1-kestotetraose [nystose;] C24H42O21 666.221858 NA metacyc NA NA +MetaCyc04030 6G,6-kestotetraose [kestotetraose;] C24H42O21 666.221858 NA metacyc NA NA +MetaCyc04031 1,6-kestotetraose [bifurcose;] C24H42O21 666.221858 NA metacyc NA NA +MetaCyc04032 maltotetraose [] C24H42O21 666.221858 34612-38-9 metacyc NA NA +HMDB00757 Glycogen C24H42O21 666.22186 http://www.hmdb.ca/metabolites/HMDB00757 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01296 Maltotetraose C24H42O21 666.22186 http://www.hmdb.ca/metabolites/HMDB01296 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00757 Glycogen C24H42O21 666.22186 http://www.hmdb.ca/metabolites/HMDB00757 HMDB NA NA +HMDB01296 Maltotetraose C24H42O21 666.22186 http://www.hmdb.ca/metabolites/HMDB01296 HMDB NA NA +HMDB03553 Stachyose C24H42O21 666.22186 http://www.hmdb.ca/metabolites/HMDB03553 HMDB NA NA +HMDB00757 Glycogen C24H42O21 666.22186 http://www.hmdb.ca/metabolites/HMDB00757 PFEM_hmdb_metabocards_blood NA blood +HMDB01296 Maltotetraose C24H42O21 666.22186 http://www.hmdb.ca/metabolites/HMDB01296 PFEM_hmdb_metabocards_blood NA blood +HMDB00757 Glycogen C24H42O21 666.22186 HMDB00757 PFEM_hmdb_metabocards_official NA NA +HMDB01296 Maltotetraose C24H42O21 666.22186 HMDB01296 PFEM_hmdb_metabocards_official NA NA +HMDB03553 Stachyose C24H42O21 666.22186 HMDB03553 PFEM_hmdb_metabocards_official NA NA +HMDB00757 Glycogen C24H42O21 666.221863 NA HMDB2010 NA NA +HMDB01296 Maltotetraose C24H42O21 666.221863 NA HMDB2010 NA NA +HMDB03553 Stachyose C24H42O21 666.221863 NA HMDB2010 NA NA +C00182 Glycogen C24H42O21 666.2219 NA KEGG NA NA +C01613 Stachyose C24H42O21 666.2219 NA KEGG NA NA +C01614 Sulfamate NH2SO3R 666.2219 NA KEGG NA NA +C01615 Sulfinate HSO2R 666.2219 NA KEGG NA NA +C02013 Cellotetraose C24H42O21 666.2219 NA KEGG NA NA +C02014 Choline ester C6H13NO2R 666.2219 NA KEGG NA NA +C02052 Maltotetraose C24H42O21 666.2219 NA KEGG NA NA +C02053 Man5(GlcNAc)3 C24H42O21 666.2219 NA KEGG NA NA +C02054 Man9(GlcNAc)2 C24H42O21 666.2219 NA KEGG NA NA +C02055 N-Acylglycine C3H4NO3R 666.2219 NA KEGG NA NA +C02056 Peptidyl-tRNA C14H21N2O12PR4 666.2219 NA KEGG NA NA +C03989 Isolychnose C24H42O21 666.2219 NA KEGG NA NA +C04861 1,3-alpha-D-Mannosyl-1,2-alpha-D-mannosyl-1,2-alpha-D-mannosyl-D- C24H42O21 666.2219 NA KEGG NA NA +C08242 Lychnose C24H42O21 666.2219 NA KEGG NA NA +C08248 alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl- C24H42O21 666.2219 NA KEGG NA NA +PJ014112 CNNMW C27H38N8O8S2 666.2254 NA PeJP NA NA +PJ014113 SSNNDM C23H38N8O13S 666.2279 NA PeJP NA NA +PJ014114 PCCCNK C24H42N8O8S3 666.2288 NA PeJP NA NA +MJ089473 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-Ketone, 1,9-dibenzoyl, 2,6,14-tri-Ac C35H38O13 666.231241 NA MeJP NA NA +PJ014115 SDEMW C28H38N6O11S 666.2319 NA PeJP NA NA +PJ014116 TDDMW C28H38N6O11S 666.232 NA PeJP NA NA +PJ014117 PCMMW C29H42N6O6S3 666.2328 NA PeJP NA NA +PJ014118 SSSEEE C24H38N6O16 666.2344 NA PeJP NA NA +PJ014119 STTDDE C24H38N6O16 666.2345 NA PeJP NA NA +PJ014120 QEEMM C25H42N6O11S2 666.2353 NA PeJP NA NA +PJ014121 GSDDHH C25H34N10O12 666.2358 NA PeJP NA NA +PJ014122 APCCHH C26H38N10O7S2 666.2367 NA PeJP NA NA +PJ014123 GSSCQW C27H38N8O10S 666.2432 NA PeJP NA NA +PJ014124 GSSSSNE C23H38N8O15 666.2457 NA PeJP NA NA +PJ014125 DDMMR C24H42N8O10S2 666.2466 NA PeJP NA NA +PJ014126 PCDFW C32H38N6O8S 666.2472 NA PeJP NA NA +PJ014127 GSPDEY C28H38N6O13 666.2497 NA PeJP NA NA +PJ014128 AEMMW C29H42N6O8S2 666.2506 NA PeJP NA NA +MJ089474 Deacylsuspensolide; 1-O-(2-Methylbutanoyl), 2'-(4-hydroxycinnamoyl)(E-), 10-Ac C32H42O15 666.25237 NA MeJP NA NA +MJ089475 Deacylsuspensolide; 1-O-(2-Methylbutanoyl), 2'-(4-hydroxycinnamoyl)(Z-), 10-Ac C32H42O15 666.25237 NA MeJP NA NA +MJ089476 Deacylsuspensolide; 1-O-(3-Methylbutanoyl), 2'-(4-hydroxycinnamoyl)(E)-, 10-Ac C32H42O15 666.25237 NA MeJP NA NA +MJ089477 Deacylsuspensolide; 1-O-(3-Methylbutanoyl), 2'-(4-hydroxycinnamoyl)(Z)-, 10-Ac C32H42O15 666.25237 NA MeJP NA NA +MJ089478 Homoegonol; O-?-Gentiobioside C32H42O15 666.25237 NA MeJP NA NA +MJ089479 Phillygenin, 4'-O-[?-D-Xylopyranosyl(1?6)-?-D-glucopyranoside] C32H42O15 666.25237 NA MeJP NA NA +MJ089480 Pinoresinol, 4-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C32H42O15 666.25237 NA MeJP NA NA +MJ089481 Pinoresinol, 7'-Epimer, 4-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C32H42O15 666.25237 NA MeJP NA NA +FL6DBAGI0002 3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 4-O-(beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside) C32H42O15 666.25237 118555-87-6 knapsack NA NA +PJ014129 GTTEEM C25H42N6O13S 666.2531 NA PeJP NA NA +PJ014130 ASPMMM C26H46N6O8S3 666.2539 NA PeJP NA NA +PJ014131 GPTMMM C26H46N6O8S3 666.254 NA PeJP NA NA +PJ014132 NEMHH C26H38N10O9S 666.2544 NA PeJP NA NA +MJ089482 Dihydrothalictrinine C38H38N2O9 666.25773 NA MeJP NA NA +MJ089483 Oxothalibrunimine C38H38N2O9 666.25773 NA MeJP NA NA +PJ014133 GSCNMR C23H42N10O9S2 666.2578 NA PeJP NA NA +PJ014134 CNHFF C31H38N8O7S 666.2584 NA PeJP NA NA +PJ014135 GGCHFF C31H38N8O7S 666.2585 NA PeJP NA NA +PJ014136 SSSSNW C27H38N8O12 666.2609 NA PeJP NA NA +PJ014137 GGGGQEY C27H38N8O12 666.261 NA PeJP NA NA +PJ014138 CCQKW C28H42N8O7S2 666.2618 NA PeJP NA NA +PJ014139 SSSQQM C24H42N8O12S 666.2643 NA PeJP NA NA +PJ014140 SPDYW C32H38N6O10 666.265 NA PeJP NA NA +PJ014141 CDHHR C25H38N12O8S 666.2657 NA PeJP NA NA +MJ089484 5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, Lactone, 14-[4-O-(hypocretenoyl)-?-D-glucopyranosyloxy] C36H42O12 666.267626 NA MeJP NA NA +PJ014142 TTEMW C29H42N6O10S 666.2683 NA PeJP NA NA +MJ089485 Haplocidiphytine C37H38N4O8 666.268964 NA MeJP NA NA +PJ014143 GMHHW C30H38N10O6S 666.2697 NA PeJP NA NA +PJ014144 STTTEE C25H42N6O15 666.2708 NA PeJP NA NA +PJ014145 KEEMM C26H46N6O10S2 666.2717 NA PeJP NA NA +PJ014146 GSTEHH C26H38N10O11 666.2722 NA PeJP NA NA +PJ014147 SSSCQR C23H42N10O11S 666.2755 NA PeJP NA NA +PJ014148 GNQYW C31H38N8O9 666.2762 NA PeJP NA NA +MJ089486 Syrosingopine C35H42N2O11 666.27886 NA MeJP NA NA +PJ014149 GSSCKW C28H42N8O9S 666.2796 NA PeJP NA NA +PJ014150 EFWW C36H38N6O7 666.2802 NA PeJP NA NA +PJ014151 GSSSSDK C24H42N8O14 666.2821 NA PeJP NA NA +PJ014152 TEMMR C25H46N8O9S2 666.2829 NA PeJP NA NA +PJ014153 GGGSKMM C25H46N8O9S2 666.283 NA PeJP NA NA +PJ014154 APMYW C33H42N6O7S 666.2836 NA PeJP NA NA +PJ014155 VQEEY C29H42N6O12 666.2861 NA PeJP NA NA +PJ014156 SLMMW C30H46N6O7S2 666.287 NA PeJP NA NA +PJ014157 STHHW C30H38N10O8 666.2874 NA PeJP NA NA +PJ014158 GGGGPHW C30H38N10O8 666.2875 NA PeJP NA NA +MJ089487 4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 3-(2,3-Diacetoxy-2-methylbutanoyl), 6,19-di-Ac C33H46O14 666.288756 NA MeJP NA NA +PJ014159 SSTLEM C26H46N6O12S 666.2895 NA PeJP NA NA +PJ014160 AALMMM C27H50N6O7S3 666.2903 NA PeJP NA NA +PJ014161 CNQFR C27H42N10O8S 666.2908 NA PeJP NA NA +PJ014162 GSSSSSR C23H42N10O13 666.2933 NA PeJP NA NA +MJ089488 Fauripavine C39H42N2O8 666.294116 NA MeJP NA NA +MJ089489 Pennsylpavoline C39H42N2O8 666.294116 NA MeJP NA NA +MJ089490 Thalfinine C39H42N2O8 666.294116 NA MeJP NA NA +MJ089491 Thalibrunimine; Me ether C39H42N2O8 666.294116 NA MeJP NA NA +MJ089492 Thalpindione; Me ether C39H42N2O8 666.294116 NA MeJP NA NA +PJ014163 GTCCKR C24H46N10O8S2 666.2942 NA PeJP NA NA +PJ014164 PPMHW C32H42N8O6S 666.2948 NA PeJP NA NA +PJ014165 AEERY C28H42N8O11 666.2973 NA PeJP NA NA +PJ014166 GGGGPPPE C28H42N8O11 666.2974 NA PeJP NA NA +MJ089493 2,2',3,3'-Tetrahydro-3,3',6,6',7,7'-hexamethoxy-4,4'-diphenyl-5,5'-bi-1H-phenalene C44H42O6 666.298139 NA MeJP NA NA +PJ014167 CCKKW C29H46N8O6S2 666.2982 NA PeJP NA NA +PJ014168 SSSQKM C25H46N8O11S 666.3007 NA PeJP NA NA +PJ014169 PTTYW C33H42N6O9 666.3013 NA PeJP NA NA +PJ014170 GLEYW C33H42N6O9 666.3014 NA PeJP NA NA +PJ014171 VMMMR C26H50N8O6S3 666.3016 NA PeJP NA NA +PJ014172 SMHHR C26H42N12O7S 666.302 NA PeJP NA NA +MJ089494 11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 5-Cinnamoyl, 7,9,10,13-tetra-Ac C37H46O11 666.304012 NA MeJP NA NA +MJ089495 4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 5-Cinnamoyl, 7,9,10,13-tetra-Ac C37H46O11 666.304012 NA MeJP NA NA +PJ014173 PKEMY C30H46N6O9S 666.3047 NA PeJP NA NA +PJ014174 ATTLMM C27H50N6O9S2 666.3081 NA PeJP NA NA +PJ014175 SNQRY C27H42N10O10 666.3086 NA PeJP NA NA +PJ014176 SSSCKR C24H46N10O10S 666.3119 NA PeJP NA NA +PJ014177 GNKYW C32H42N8O8 666.3126 NA PeJP NA NA +C08662 Barbinine C36H46N2O10 666.3152 NA KEGG NA NA +MJ089496 Nudicauline; O14-De-Ac, O14-ketone C36H46N2O10 666.315245 NA MeJP NA NA +PJ014178 PTMRY C29H46N8O8S 666.3159 NA PeJP NA NA +PJ014179 VDMFR C29H46N8O8S 666.316 NA PeJP NA NA +PJ014180 LYWW C37H42N6O6 666.3166 NA PeJP NA NA +PJ014181 ASSSSTK C25H46N8O13 666.3184 NA PeJP NA NA +PJ014182 GSSSTTK C25H46N8O13 666.3185 NA PeJP NA NA +PJ014183 GTCKKM C26H50N8O8S2 666.3193 NA PeJP NA NA +PJ014184 GSPNHR C26H42N12O9 666.3198 NA PeJP NA NA +PJ014185 ALMFW C34H46N6O6S 666.32 NA PeJP NA NA +MJ089497 Strychnogucine B C42H42N4O4 666.320605 NA MeJP NA NA +PJ014186 VKEEY C30H46N6O11 666.3225 NA PeJP NA NA +PJ014187 VQHHF C31H42N10O7 666.3238 NA PeJP NA NA +MJ089498 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C34H50O13 666.325141 NA MeJP NA NA +MJ089499 4,18:11,16:15,16-Triepoxy-14-clerodene-2,6,19-triol, 19-[3S-[3S-(3S-Hydroxybutanoyloxy)butanoyloxy]butanoyl], 6-Ac C34H50O13 666.325141 NA MeJP NA NA +MJ089500 Amalogenin A; 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-diginopyranoside] C34H50O13 666.325141 NA MeJP NA NA +PJ014188 TTTTLM C27H50N6O11S 666.3258 NA PeJP NA NA +PJ014189 CNKFR C28H46N10O7S 666.3272 NA PeJP NA NA +MJ089501 Herveline C C40H46N2O7 666.330501 NA MeJP NA NA +MJ089502 Thalifaberine; 3-Demethoxy C40H46N2O7 666.330501 NA MeJP NA NA +PJ014190 SLERY C29H46N8O10 666.3337 NA PeJP NA NA +PJ014191 AHHFR C30H42N12O6 666.3351 NA PeJP NA NA +PJ014192 SSSKKM C26H50N8O10S 666.3371 NA PeJP NA NA +PJ014193 SVLYW C34H46N6O8 666.3377 NA PeJP NA NA +PJ014194 LLQMY C31H50N6O8S 666.3411 NA PeJP NA NA +PJ014195 SNKRY C28H46N10O9 666.3449 NA PeJP NA NA +PJ014196 GGSKRY C28H46N10O9 666.345 NA PeJP NA NA +PJ014197 PTFFR C33H46N8O7 666.349 NA PeJP NA NA +PJ014198 VVMRY C30H50N8O7S 666.3523 NA PeJP NA NA +PJ014199 GGKKMF C30H50N8O7S 666.3524 NA PeJP NA NA +PJ014200 VQQHR C27H46N12O8 666.3562 NA PeJP NA NA +PJ014201 GTTLLY C31H50N6O10 666.3589 NA PeJP NA NA +PJ014202 VKHHF C32H46N10O6 666.3602 NA PeJP NA NA +MJ089503 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-arabino-hexopyranoside] C35H54O12 666.361527 NA MeJP NA NA +MJ089504 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C35H54O12 666.361527 NA MeJP NA NA +MJ089505 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-xylo-hexopyranoside] C35H54O12 666.361527 NA MeJP NA NA +MJ089506 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-arabino-hexopyranoside] C35H54O12 666.361527 NA MeJP NA NA +MJ089507 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C35H54O12 666.361527 NA MeJP NA NA +MJ089508 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] C35H54O12 666.361527 NA MeJP NA NA +MJ089509 Cayaponoside D3b C35H54O12 666.361527 NA MeJP NA NA +MJ089510 Fevicordin F; 23,24-Dihydro, 2-O-?-D-glucopyranoside C35H54O12 666.361527 NA MeJP NA NA +PJ014203 AQHRR C26H46N14O7 666.3674 NA PeJP NA NA +PJ014204 TQKKY C30H50N8O9 666.3701 NA PeJP NA NA +PJ014205 PLKFY C35H50N6O7 666.3741 NA PeJP NA NA +PJ014206 LLKMY C32H54N6O7S 666.3775 NA PeJP NA NA +PJ014207 LLEHR C29H50N10O8 666.3813 NA PeJP NA NA +MJ089511 Lavendomycin C29H50N10O8 666.381308 NA MeJP NA NA +PJ014208 GGGVLKH C29H50N10O8 666.3814 NA PeJP NA NA +PJ014209 VLLHW C34H50N8O6 666.3854 NA PeJP NA NA +PJ014210 AAPPRR C28H50N12O7 666.3926 NA PeJP NA NA +PJ014211 PPVLLE C32H54N6O9 666.3953 NA PeJP NA NA +MJ089512 1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O11 666.397912 NA MeJP NA NA +MJ089513 1,3,22-Trihydroxy-24-oxocycloartan-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O11 666.397912 NA MeJP NA NA +MJ089514 12-Oleanene-3,16,21,23,28-pentol, 3-O-?-D-Glucuronopyranoside C36H58O11 666.397912 NA MeJP NA NA +MJ089515 12-Oleanene-3,16,22,23,28-pentol, 3-O-?-D-Glucuronopyranoside C36H58O11 666.397912 NA MeJP NA NA +MJ089516 2,3,16,20,26-Pentahydroxycucurbita-5,24-dien-11-one, 2-O-?-D-Glucopyranoside C36H58O11 666.397912 NA MeJP NA NA +MJ089517 2,3,16,23-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside C36H58O11 666.397912 NA MeJP NA NA +MJ089518 2,3,19,23-Tetrahydroxy-12-oleanen-28-oic acid, 28-?-D-Glucopyranosyl ester C36H58O11 666.397912 NA MeJP NA NA +MJ089519 2,3,19,23-Tetrahydroxy-12-oleanen-28-oic acid, 28-O-?-D-Galactopyranosyl ester C36H58O11 666.397912 NA MeJP NA NA +MJ089520 2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, ?-D-Glucopyranosyl ester C36H58O11 666.397912 NA MeJP NA NA +MJ089521 2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, ?-D-Glucopyranosyl ester C36H58O11 666.397912 NA MeJP NA NA +MJ089522 2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, ?-D-Glucopyranosyl ester C36H58O11 666.397912 NA MeJP NA NA +MJ089523 2,3,19,24-Tetrahydroxy-12-oleanen-28-oic acid, ?-D-Glucopyranosyl ester C36H58O11 666.397912 NA MeJP NA NA +MJ089524 2,3,19,24-Tetrahydroxy-12-ursen-28-oic acid, ?-D-Glucopyranosyl ester C36H58O11 666.397912 NA MeJP NA NA +MJ089525 2,3,21,23-Tetrahydroxy-12-oleanen-28-oic acid, 21-O-?-D-Glucopyranoside C36H58O11 666.397912 NA MeJP NA NA +MJ089526 2,3,21,23-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-?-Glucopyranoside C36H58O11 666.397912 NA MeJP NA NA +MJ089527 2,3,21,23-Tetrahydroxy-12-oleanen-28-oic acid, ?-D-Glucopyranosyl ester C36H58O11 666.397912 NA MeJP NA NA +MJ089528 2,3,23,24-Tetrahydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranoside C36H58O11 666.397912 NA MeJP NA NA +MJ089529 2,3,23,29-Tetrahydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O11 666.397912 NA MeJP NA NA +MJ089530 2,3,6,16-Tetrahydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O11 666.397912 NA MeJP NA NA +MJ089531 2,3,6,19-Tetrahydroxy-12-ursen-28-oic acid, ?-D-Glucopyranosyl ester C36H58O11 666.397912 NA MeJP NA NA +MJ089532 2,3,6,23-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside C36H58O11 666.397912 NA MeJP NA NA +MJ089533 2,3,6,23-Tetrahydroxy-20(29)-lupen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O11 666.397912 NA MeJP NA NA +MJ089534 2,3,7,19-Tetrahydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranoside C36H58O11 666.397912 NA MeJP NA NA +MJ089535 2,3,7,23-Tetrahydroxy-12-oleanen-28-oic acid, ?-D-Glucopyranosyl ester C36H58O11 666.397912 NA MeJP NA NA +MJ089536 20,24-Epoxy-2,3,16,25,26-pentahydroxycucurbit-5-en-11-one, 26-Deoxy, 2-O-?-D-glucopyranoside C36H58O11 666.397912 NA MeJP NA NA +MJ089537 28-Nor-12-oleanene-2,3,16,17,23-pentol, 17-Formyl, 3-O-?-D-glucopyranoside C36H58O11 666.397912 NA MeJP NA NA +MJ089538 3,16,20,22,25-Pentahydroxycucurbita-5,23-dien-11-one, 3-O-?-D-Glucopyranoside C36H58O11 666.397912 NA MeJP NA NA +MJ089539 3,23,27,29-Tetrahydroxy-12-oleanen-28-oic acid, 29-O-?-D-Glucopyranoside C36H58O11 666.397912 NA MeJP NA NA +MJ089540 6(17),11-Jatrophadiene-3,5,7,8,9,14,15-heptol, 5,8-Bis(2-methylbutanoyl), 7-(2-methylpropanoyl), 14-Ac C36H58O11 666.397912 NA MeJP NA NA +MJ089541 Cimigenol; 1?-Hydroxy, 3-O-?-D-galactopyranoside C36H58O11 666.397912 NA MeJP NA NA +PJ014212 AKHRR C27H50N14O6 666.4038 NA PeJP NA NA +PJ014213 TKKKY C31H54N8O8 666.4065 NA PeJP NA NA +PJ014214 LLKFF C36H54N6O6 666.4105 NA PeJP NA NA +PJ014215 GPPLKR C30H54N10O7 666.4177 NA PeJP NA NA +PJ014216 VKKHR C29H54N12O6 666.429 NA PeJP NA NA +MJ089542 2-Polyprenyl-1,4-benzenediol; 2-Heptaprenyl-1,4-benzenediol, 1-Sulfate C41H62O5S 666.431795 NA MeJP NA NA +MJ089543 2-Polyprenyl-1,4-benzenediol; 2-Heptaprenyl-1,4-benzenediol, 4-Sulfate C41H62O5S 666.431795 NA MeJP NA NA +MJ089544 Cycloartane-3,6,16,24,25-pentol, 6-Ac, 3-O-?-D-xylopyranoside C37H62O10 666.434298 NA MeJP NA NA +PJ014217 PPVVKK C32H58N8O7 666.4429 NA PeJP NA NA +MJ089545 3,21,22-Trihydroxy-12-oleanen-28-oic acid, 21-(6-Methyl-2E,4E-octadienoyl), 22-Ac C41H62O7 666.449554 NA MeJP NA NA +MJ089546 3,21,22-Trihydroxy-12-oleanen-28-oic acid, 21-(6-Methyl-2Z,4E-octadienoyl), 22-Ac C41H62O7 666.449554 NA MeJP NA NA +MJ089547 Sporidesmolides; Sporidesmolide V C35H62N4O8 666.456764 NA MeJP NA NA +MJ089548 Norbixin, 6-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-6'-Me ester C45H62O4 666.46481 NA MeJP NA NA +MJ089549 Norbixin, 6-(3,7,11,5-Tetramethyl-2,6,10,14-hexadecatetraenyl)-6'-Me ester C45H62O4 666.46481 NA MeJP NA NA +PJ014218 PVLLLL C34H62N6O7 666.468 NA PeJP NA NA +MJ089550 Staphisagnine C44H62N2O3 666.476043 NA MeJP NA NA +MJ089551 Petroformyne 1; 3- or 44-Ketone C46H66O3 666.501195 NA MeJP NA NA +MJ089552 Petroformyne 1; 8,9,14,15-Tetradehydro(Z,Z-), 12,13-dihydro C46H66O3 666.501195 NA MeJP NA NA +MJ089553 Disepalin C39H70O8 666.507069 NA MeJP NA NA +MJ089554 Tonkinesin A; 15,21,22-Triepimer, 17-Ac C39H70O8 666.507069 NA MeJP NA NA +MJ089555 Tonkinesin A; 17-Ac C39H70O8 666.507069 NA MeJP NA NA +MJ089556 Uvaribonin C39H70O8 666.507069 NA MeJP NA NA +MJ089557 Xylopiacin; 8-Deoxy, 10R-hydroxy, 4-Ac C39H70O8 666.507069 NA MeJP NA NA +HMDB07208 DG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07237 DG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07264 DG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07265 DG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07292 DG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07321 DG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07433 DG(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07460 DG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07461 DG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07489 DG(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07490 DG(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07516 DG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07517 DG(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07545 DG(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07546 DG(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07573 DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07684 DG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07685 DG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07712 DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07741 DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07768 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +HMDB07769 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/0:0) C43H70O5 666.522339 NA HMDB2010 NA NA +MJ089558 Glycerol trialkanoates (diacid, unsymmetrical); Glycerol 1,2-didodecanoate 3-tetradecanoate C41H78O6 666.57984 NA MeJP NA NA +MJ089559 Glycerol trialkanoates (diacid, unsymmetrical); Glycerol 1,2-dioctadecanoate 3-acetate C41H78O6 666.57984 NA MeJP NA NA +MJ089560 Stigmast-5-ene-3,7-diol, 7-Ketone, 3-hexadecanoyl C45H78O3 666.595096 NA MeJP NA NA +HMDB07093 DG(15:0/24:0/0:0) C42H82O5 666.616211 NA HMDB2010 NA NA +HMDB07793 DG(24:0/15:0/0:0) C42H82O5 666.616211 NA HMDB2010 NA NA +HMDB06738 Cholesteryl nonadecanoic acid C46H82O2 666.63147 http://www.hmdb.ca/metabolites/HMDB06738 HMDB NA NA +HMDB06738 Cholesteryl nonadecanoic acid C46H82O2 666.63147 HMDB06738 PFEM_hmdb_metabocards_official NA NA +HMDB06738 CE(19:0) C46H82O2 666.63147 NA HMDB2010 NA NA +MJ089561 3-Friedelanol, Hexadecanoyl C46H82O2 666.631481 NA MeJP NA NA +MJ089562 Ergost-5-en-3-ol, Octadecanoyl C46H82O2 666.631481 NA MeJP NA NA +MJ089563 Avridine C43H90N2O2 666.70023 NA MeJP NA NA +MJ089564 4-Chloro-N-[2-(4-hydroxy-3-iodophenyl)ethyl]-2-propyl-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxamide C29H27ClIN7O2 667.095944 NA MeJP NA NA +C08112 Cefoperazone sodium C25H26N9O8S2 667.1243 NA KEGG NA NA +FL7AACGL0083 Cyanidin 3-(6''-malonylsambubioside) C29H31O18 667.15103 178275-90-6 knapsack NA NA +PJ014219 SCNDDD C22H33N7O15S 667.1756 NA PeJP NA NA +PJ014220 PCCCNE C23H37N7O10S3 667.1764 NA PeJP NA NA +FL7AADGL0017 Peonidin acetyl 3,5-diglucoside C30H35O17 667.18742 - knapsack NA NA +FL7AADGL0029 Peonidin 3-glucoside-5-(6''-acetylglucoside) C30H35O17 667.18742 - knapsack NA NA +PJ014221 GPCCCW C27H37N7O7S3 667.1917 NA PeJP NA NA +PJ014222 GCNDEM C23H37N7O12S2 667.1942 NA PeJP NA NA +PJ014223 GCCDDR C22H37N9O11S2 667.2054 NA PeJP NA NA +PJ014224 CNDMW C27H37N7O9S2 667.2094 NA PeJP NA NA +PJ014225 GGCDMW C27H37N7O9S2 667.2095 NA PeJP NA NA +PJ014226 SSNDDM C23H37N7O14S 667.2119 NA PeJP NA NA +PJ014227 GGSSDDM C23H37N7O14S 667.212 NA PeJP NA NA +PJ014228 SPCCQM C24H41N7O9S3 667.2128 NA PeJP NA NA +PJ014229 EEEMM C25H41N5O12S2 667.2193 NA PeJP NA NA +PJ014230 GSSSCNN C22H37N9O13S 667.2232 NA PeJP NA NA +PJ014231 SPCCCR C23H41N9O8S3 667.2241 NA PeJP NA NA +PJ014232 ACCWW C31H37N7O6S2 667.2247 NA PeJP NA NA +MJ089565 Alangiside; O-De-Me, 2'-(4-hydroxy-3-methoxycinnamoyl)(E-) C34H37NO13 667.22649 NA MeJP NA NA +MJ089566 Alangiside; O-De-Me, 6'-(4-hydroxy-3-methoxycinnamoyl) C34H37NO13 667.22649 NA MeJP NA NA +PJ014233 GSSCEW C27H37N7O11S 667.2272 NA PeJP NA NA +PJ014234 CMMHF C28H41N7O6S3 667.2281 NA PeJP NA NA +PJ014235 GSSSSDE C23H37N7O16 667.2297 NA PeJP NA NA +PJ014236 GSNEMM C24H41N7O11S2 667.2306 NA PeJP NA NA +PJ014237 GCYYY C32H37N5O9S 667.2312 NA PeJP NA NA +PJ014238 DEEEF C28H37N5O14 667.2337 NA PeJP NA NA +PJ014239 GCNNNF C26H37N9O10S 667.2384 NA PeJP NA NA +PJ014240 GGGGGCNF C26H37N9O10S 667.2385 NA PeJP NA NA +PJ014241 GSCDMR C23H41N9O10S2 667.2418 NA PeJP NA NA +PJ014242 SSCWW C31H37N7O8S 667.2424 NA PeJP NA NA +PJ014243 CDHFF C31H37N7O8S 667.2425 NA PeJP NA NA +PJ014244 SSSSDW C27H37N7O13 667.2449 NA PeJP NA NA +PJ014245 NNEEY C27H37N7O13 667.245 NA PeJP NA NA +PJ014246 SNMMW C28H41N7O8S2 667.2458 NA PeJP NA NA +MJ089567 Alangiside; 3'-O-?-D-Glucopyranosyl C31H41NO15 667.247619 NA MeJP NA NA +MJ089568 Alangiside; 6'-O-?-D-Glucopyranosyl C31H41NO15 667.247619 NA MeJP NA NA +MJ089569 Alangiside; 6'-O-?-D-Glucopyranosyl C31H41NO15 667.247619 NA MeJP NA NA +MJ089570 Alangiside; O-De-Me, O2-Me, 6'-O-?-D-glucopyranosyl C31H41NO15 667.247619 NA MeJP NA NA +PJ014247 SSSQEM C24H41N7O13S 667.2483 NA PeJP NA NA +PJ014248 QQMMM C25H45N7O8S3 667.2492 NA PeJP NA NA +PJ014249 GSCQHH C25H37N11O9S 667.2497 NA PeJP NA NA +C15655 Kynostatin 272 C33H41N5O6S2 667.2498 NA KEGG NA NA +C15656 alpha-N-Acetyl-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)- C35H55N3O28R2 667.2498 NA KEGG NA NA +MJ089571 N-(1,1-Dimethylethyl)-3-[2-hydroxy-3-[[2-[[(5-isoquinolinyloxy)acetyl]amino]-3-(methylthio)-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]-4-thiazolidinecarboxamide C33H41N5O6S2 667.249825 NA MeJP NA NA +PJ014250 PEEMY C29H41N5O11S 667.2524 NA PeJP NA NA +PJ014251 GSNNNY C26H37N9O12 667.2562 NA PeJP NA NA +PJ014252 TCCRW C27H41N9O7S2 667.2571 NA PeJP NA NA +PJ014253 SSSCER C23H41N9O12S 667.2596 NA PeJP NA NA +PJ014254 GNEYW C31H37N7O10 667.2602 NA PeJP NA NA +PJ014255 CQMMR C24H45N9O7S3 667.2604 NA PeJP NA NA +PJ014256 GSSTMW C28H41N7O10S 667.2636 NA PeJP NA NA +PJ014257 GSSSTTE C24H41N7O15 667.2661 NA PeJP NA NA +PJ014258 ASTQMM C25H45N7O10S2 667.2669 NA PeJP NA NA +PJ014259 GSDKMM C25H45N7O10S2 667.267 NA PeJP NA NA +PJ014260 SSSNHH C25H37N11O11 667.2674 NA PeJP NA NA +PJ014261 VEEEY C29H41N5O13 667.2701 NA PeJP NA NA +PJ014262 PNDHW C30H37N9O9 667.2715 NA PeJP NA NA +PJ014263 CCMRR C23H45N11O6S3 667.2717 NA PeJP NA NA +PJ014264 CNEFR C27H41N9O9S 667.2748 NA PeJP NA NA +PJ014265 NYWW C35H37N7O7 667.2755 NA PeJP NA NA +MJ089572 Enacyloxin IIa; 18'-Dechloro C33H46ClNO11 667.275939 NA MeJP NA NA +MJ089573 Enacyloxin IIb; 18'-Dechloro C33H46ClNO11 667.275939 NA MeJP NA NA +MJ089574 Neoacrimarine C C39H41NO9 667.278131 NA MeJP NA NA +PJ014266 GSSMMR C24H45N9O9S2 667.2782 NA PeJP NA NA +PJ014267 GQMFW C32H41N7O7S 667.2788 NA PeJP NA NA +PJ014268 GGAMFW C32H41N7O7S 667.2789 NA PeJP NA NA +PJ014269 SSSTTW C28H41N7O12 667.2813 NA PeJP NA NA +PJ014270 GGDKEY C28H41N7O12 667.2814 NA PeJP NA NA +PJ014271 TCKMW C29H45N7O7S2 667.2822 NA PeJP NA NA +PJ014272 NNHHF C29H37N11O8 667.2827 NA PeJP NA NA +PJ014273 SSSKEM C25H45N7O12S 667.2847 NA PeJP NA NA +PJ014274 PPEYY C33H41N5O10 667.2854 NA PeJP NA NA +PJ014275 QKMMM C26H49N7O7S3 667.2856 NA PeJP NA NA +PJ014276 GSCKHH C26H41N11O8S 667.2861 NA PeJP NA NA +PJ014277 LEEMF C30H45N5O10S 667.2887 NA PeJP NA NA +PJ014278 GCFRW C31H41N9O6S 667.2901 NA PeJP NA NA +PJ014279 SNERY C27H41N9O11 667.2926 NA PeJP NA NA +PJ014280 LMMHH C28H45N9O6S2 667.2935 NA PeJP NA NA +PJ014281 THHHH C28H37N13O7 667.2939 NA PeJP NA NA +PJ014282 SSSTMR C24H45N9O11S 667.2959 NA PeJP NA NA +PJ014283 GDKYW C32H41N7O9 667.2966 NA PeJP NA NA +PJ014284 CKMMR C25H49N9O6S3 667.2968 NA PeJP NA NA +PJ014285 VQQMY C29H45N7O9S 667.3 NA PeJP NA NA +PJ014286 SSSSSTL C25H45N7O14 667.3025 NA PeJP NA NA +PJ014287 GTTKMM C26H49N7O9S2 667.3033 NA PeJP NA NA +PJ014288 GSPDHR C26H41N11O10 667.3038 NA PeJP NA NA +PJ014289 GSRYW C31H41N9O8 667.3078 NA PeJP NA NA +8141 synthetic peptide FYPEL 667.309 stimulating Inhouse_peptide NA peptide +PJ014290 AQMRY C28H45N9O8S 667.3112 NA PeJP NA NA +PJ014291 AHFFF C36H41N7O6 667.3119 NA PeJP NA NA +PJ014292 NNQHR C25H41N13O9 667.315 NA PeJP NA NA +3363 NA GPAGAPGAA 667.315 celiac toxic Inhouse_peptide NA peptide +PJ014293 GGNQHR C25H41N13O9 667.3151 NA PeJP NA NA +PJ014294 GKMFW C33H45N7O6S 667.3152 NA PeJP NA NA +PJ014295 TQKEY C29H45N7O11 667.3177 NA PeJP NA NA +7473 coeliac toxic peptide RIRVGQSMNMGS 667.32085 MH2+ Inhouse_peptide NA peptide +PJ014296 STTTKM C26H49N7O11S 667.3211 NA PeJP NA NA +PJ014297 PLEFY C34H45N5O9 667.3217 NA PeJP NA NA +PJ014298 KKMMM C27H53N7O6S3 667.322 NA PeJP NA NA +PJ014299 ACRRY C27H45N11O7S 667.3224 NA PeJP NA NA +PJ014300 GAPMHR C27H45N11O7S 667.3225 NA PeJP NA NA +PJ014301 LLEMY C31H49N5O9S 667.3251 NA PeJP NA NA +PJ014302 SDKRY C28H45N9O10 667.329 NA PeJP NA NA +MJ089575 Glycylalanylprolylmethionylphenylalanylvalinamide; 2-L-Serine, 4-L-tyrosine analogue C33H45N7O8 667.332961 NA MeJP NA NA +PJ014303 ATKYW C33H45N7O8 667.333 NA PeJP NA NA +PJ014304 PCHRR C26H45N13O6S 667.3337 NA PeJP NA NA +MJ089576 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-(3-Dimethylamino-3-phenylpropanoyl), 2,7,13-tri-Ac C37H49NO10 667.335646 NA MeJP NA NA +MJ089577 2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-(3S-Dimethylamino-2R-hydroxy-3-phenylpropanoyl), 2,9,10-tri-Ac C37H49NO10 667.335646 NA MeJP NA NA +MJ089578 Comptonine C37H49NO10 667.335646 NA MeJP NA NA +MJ089579 Protostreptovaricin I; 14?-Hydroxy, 19-O-Me C37H49NO10 667.335646 NA MeJP NA NA +MJ089580 Spicaledonine C37H49NO10 667.335646 NA MeJP NA NA +MJ089581 Taxine B; 2,9-Di-Ac C37H49NO10 667.335646 NA MeJP NA NA +PJ014305 LNKMY C30H49N7O8S 667.3363 NA PeJP NA NA +PJ014306 VQKMY C30H49N7O8S 667.3364 NA PeJP NA NA +MJ089582 Ergokonin B; 3-O-(2S-Amino-4-methyl-3S-sulfooxypentanoyl) C34H53NO10S 667.339017 NA MeJP NA NA +PJ014307 SSRRY C27H45N11O9 667.3402 NA PeJP NA NA +PJ014308 PTKHW C32H45N9O7 667.3442 NA PeJP NA NA +3811 NA PHCKRM 667.3454 ACE inhibitor Inhouse_peptide NA peptide +PJ014309 AKMRY C29H49N9O7S 667.3476 NA PeJP NA NA +MJ089583 Tryptophyllin 6.1 C37H45N7O5 667.348217 NA MeJP NA NA +PJ014310 AEHRR C26H45N13O8 667.3514 NA PeJP NA NA +PJ014311 TKKEY C30H49N7O10 667.3541 NA PeJP NA NA +PJ014312 GLHRW C31H45N11O6 667.3555 NA PeJP NA NA +PJ014313 PLLYY C35H49N5O8 667.3581 NA PeJP NA NA +PJ014314 PKMHR C28H49N11O6S 667.3588 NA PeJP NA NA +PJ014315 TTKRY C29H49N9O9 667.3653 NA PeJP NA NA +PJ014316 GPPLER C29H49N9O9 667.3654 NA PeJP NA NA +PJ014317 GPPVLW C34H49N7O7 667.3694 NA PeJP NA NA +PJ014318 VKKMY C31H53N7O7S 667.3727 NA PeJP NA NA +PJ014319 PPPVKM C31H53N7O7S 667.3728 NA PeJP NA NA +PJ014320 VKEHR C28H49N11O8 667.3766 NA PeJP NA NA +PJ014321 PPLRW C33H49N9O6 667.3806 NA PeJP NA NA +PJ014322 SLHRR C27H49N13O7 667.3878 NA PeJP NA NA +PJ014323 PPVVKE C31H53N7O9 667.3905 NA PeJP NA NA +MJ089584 Mycinamycin VI C35H57NO11 667.393161 NA MeJP NA NA +MJ089585 Mycinamycin XVII C35H57NO11 667.393161 NA MeJP NA NA +C15682 Mycinamicin VI C35H57NO11 667.3932 NA KEGG NA NA +PJ014324 LLLFY C36H53N5O7 667.3945 NA PeJP NA NA +PJ014325 SPPVLR C30H53N9O8 667.4017 NA PeJP NA NA +PJ014326 GAAPPKK C30H53N9O8 667.4018 NA PeJP NA NA +PJ014327 VKKFF C35H53N7O6 667.4058 NA PeJP NA NA +PJ014328 QKKKH C29H53N11O7 667.413 NA PeJP NA NA +PJ014329 PPTLLK C32H57N7O8 667.4269 NA PeJP NA NA +PJ014330 GPLLLR C31H57N9O7 667.4381 NA PeJP NA NA +MJ089586 Enniatin A1 C35H61N3O9 667.44078 NA MeJP NA NA +MJ089587 Enniatin E C35H61N3O9 667.44078 NA MeJP NA NA +PJ014331 KKKKH C30H57N11O6 667.4494 NA PeJP NA NA +PJ014332 PVVLLK C33H61N7O7 667.4633 NA PeJP NA NA +EUR803 Lyso PC 24:0 [M-H+acetate]- C32H66NO7P 667.478792 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR803 Lyso PC 24:0 [M-H+acetate]- C32H66NO7P 667.478792 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR803 Lyso PC 24:0 [M-H+acetate]- C32H66NO7P 667.478792 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR803 Lyso PC 24:0 [M-H+acetate]- C32H66NO7P 667.478792 masses lipides attendues Inhousejuil11 NA NA +7031 synthetic peptide from alpha-gliadin QYPLGQGSFRPS 667.821 MH2+ Inhouse_peptide NA peptide +MJ089588 Platyacanthin C27H24O20 668.086093 NA MeJP NA NA +MJ089589 Valolinic acid C27H24O20 668.086093 NA MeJP NA NA +MJ089590 Phenocyclinone C35H24O14 668.116605 NA MeJP NA NA +FL3FAHGS0002 Tricetin 3'-methyl ether 7,5'-diglucuronide C28H28O19 668.12247 107668-77-9 knapsack NA NA +MJ089591 3',4',5,5',7-Pentahydroxyflavone; 3'-Me ether, 5',7-di-O-?-D-glucuronopyranoside C28H28O19 668.122478 NA MeJP NA NA +MJ089592 4',5,6,7-Tetrahydroxyflavone; 3-O-(4-Hydroxy-3,5-dimethoxycinnamoyl), 7-O-?-D-glucuronopyranoside C32H28O16 668.137734 NA MeJP NA NA +MJ089593 Bijaponicaxanthone C36H28O13 668.15299 NA MeJP NA NA +MJ089594 Julichrome Q3.5; 10'-Ketone C36H28O13 668.15299 NA MeJP NA NA +MJ089595 Microcarpin; 8-O-?-D-Glucopyranoside C36H28O13 668.15299 NA MeJP NA NA +PJ014333 TCCCCH C22H36N8O8S4 668.1539 NA PeJP NA NA +FL3FFCGS0008 8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-glucoside] C29H32O18 668.15886 108706-07-6 knapsack NA NA +FL5FACGS0108 Euphorbianin;Quercetin 3-(6''-acetylglucosyl)-(1->3)-galactoside;3-[[3-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C29H32O18 668.15886 244183-77-5 knapsack NA NA +FL5FAFGS0002 Dillenetin 5-glucoside-7-glucuronide C29H32O18 668.15886 112368-23-7 knapsack NA NA +MJ089596 3',4',5,7,8-Pentahydroxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-?-D-glucopyranoside] C29H32O18 668.158864 NA MeJP NA NA +MJ089597 3,5,7-Trihydroxy-3',4'-dimethoxyflavone; 5-O-?-D-Glucopyranoside, 7-O-?-D-glucuronopyranoside C29H32O18 668.158864 NA MeJP NA NA +MJ089598 Hyperin; 3''-O-(6-O-Acetyl-?-D-glucopyranosyl) C29H32O18 668.158864 NA MeJP NA NA +MJ089599 Isoquercitrin; 2''-O-?-D-Glucuronopyranosyl, Et ester C29H32O18 668.158864 NA MeJP NA NA +MJ089600 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-acetyl-?-D-glucopyranoside) C29H33O18(+) 668.158864 NA MeJP NA NA +PJ014334 SCDDDD C22H32N6O16S 668.1596 NA PeJP NA NA +PJ014335 PCCCDE C23H36N6O11S3 668.1605 NA PeJP NA NA +MJ089601 2',3,3',4,4'-Pentahydroxychalcone, 4'-Me ether, 4-O-[3,4-dihydroxycinnamoyl-(?2)-6-O-acetyl-?-D-glucopyranoside] C33H32O15 668.17412 NA MeJP NA NA +FL1C3CGS0025 Okanin 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside);3,4,2',3',4'-Pentahydroxy-4-methoxychalcone 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside) C33H32O15 668.17412 142628-34-0 knapsack NA NA +PJ014336 GCDDEM C23H36N6O13S2 668.1782 NA PeJP NA NA +MJ089602 Rebeccamycin; 6-N-[2-(Diethylamino)ethyl] C33H34Cl2N4O7 668.180454 NA MeJP NA NA +PJ014337 GCCCHF C26H36N8O7S3 668.1869 NA PeJP NA NA +PJ014338 SCCNNE C22H36N8O12S2 668.1894 NA PeJP NA NA +PJ014339 GGGGSCCE C22H36N8O12S2 668.1895 NA PeJP NA NA +PJ014340 CDDMW C27H36N6O10S2 668.1935 NA PeJP NA NA +FL3FGAGS0004 Nevadensin 5-gentiobioside;5-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C30H36O17 668.19524 178405-55-5 knapsack NA NA +FL5FECGS0028 Jaceidin 7-neohesperidoside C30H36O17 668.19524 101361-05-1 knapsack NA NA +MJ089603 2',4',5,5',6,7-Hexahydroxyflavone; 2',5',6-Tri-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C30H36O17 668.195249 NA MeJP NA NA +MJ089604 3,3',4',5,6,7-Hexahydroxyflavone; 3',6,7-Tri-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C30H36O17 668.195249 NA MeJP NA NA +MJ089605 3,5-Dihydroxy-3',4',7-trimethoxyflavone; 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-galactopyranoside] C30H36O17 668.195249 NA MeJP NA NA +MJ089606 4',5,6,7,8-Pentahydroxyflavone; 4',6,8-Tri-Me ether, 5-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C30H36O17 668.195249 NA MeJP NA NA +MJ089607 4',5,7-Trihydroxy-3,3',6-trimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C30H36O17 668.195249 NA MeJP NA NA +MJ089608 Sucrose; 3'-O-(4-Hydroxy-3,5-dimethoxycinnamoyl), 6-O-(4-hydroxybenzoyl) C30H36O17 668.195249 NA MeJP NA NA +MJ089609 3,4',5-Trihydroxy-3',5',7-trimethoxyflavylium(1+); 3,5-Di-O-?-D-Glucopyranoside C30H37O17(+) 668.195249 NA MeJP NA NA +PJ014341 SSDDDM C23H36N6O15S 668.196 NA PeJP NA NA +PJ014342 SPCCEM C24H40N6O10S3 668.1968 NA PeJP NA NA +PJ014343 GSCCNW C26H36N8O9S2 668.2047 NA PeJP NA NA +PJ014344 GSSSCND C22H36N8O14S 668.2072 NA PeJP NA NA +PJ014345 GCNNMM C23H40N8O9S3 668.2081 NA PeJP NA NA +PJ014346 GPCDDY C27H36N6O12S 668.2112 NA PeJP NA NA +PJ014347 PPCCCF C28H40N6O7S3 668.2121 NA PeJP NA NA +PJ014348 GSDEMM C24H40N6O12S2 668.2146 NA PeJP NA NA +PJ014349 GPCMMM C25H44N6O7S4 668.2155 NA PeJP NA NA +PJ014350 GCCCQR C22H40N10O8S3 668.2193 NA PeJP NA NA +PJ014351 GCNNDF C26H36N8O11S 668.2225 NA PeJP NA NA +PJ014352 SSCNQM C23H40N8O11S2 668.2258 NA PeJP NA NA +PJ014353 NDEEY C27H36N6O14 668.229 NA PeJP NA NA +PJ014354 SDMMW C28H40N6O9S2 668.2298 NA PeJP NA NA +PJ014355 GPCDMF C28H40N6O9S2 668.2299 NA PeJP NA NA +MJ089610 Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[3-hydroxy-4-methoxycinnamoyl-(?2)-?-L-rhamnopyranoside] C31H40O16 668.231635 NA MeJP NA NA +MJ089611 Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[3-hydroxy-4-methoxycinnamoyl-(?3)-?-L-rhamnopyranoside] C31H40O16 668.231635 NA MeJP NA NA +MJ089612 Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[4-hydroxy-3-methoxycinnamoyl-(?2)-?-L-rhamnopyranoside] C31H40O16 668.231635 NA MeJP NA NA +MJ089613 Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[4-hydroxy-3-methoxycinnamoyl-(?3)-?-L-rhamnopyranoside] C31H40O16 668.231635 NA MeJP NA NA +MJ089614 Bruceosin; 18-Carboxylic acid, 2-O-?-D-glucopyranoside C31H40O16 668.231635 NA MeJP NA NA +MJ089615 Catalpol; 6-O-[4-Methoxycinnamoyl-(?4)-?-L-rhamnopyranoside] C31H40O16 668.231635 NA MeJP NA NA +PJ014356 SSSEEM C24H40N6O14S 668.2323 NA PeJP NA NA +PJ014357 QEMMM C25H44N6O9S3 668.2332 NA PeJP NA NA +PJ014358 GSCEHH C25H36N10O10S 668.2337 NA PeJP NA NA +PJ014359 SSCCNR C22H40N10O10S2 668.2371 NA PeJP NA NA +PJ014360 GSNNDY C26H36N8O13 668.2402 NA PeJP NA NA +PJ014361 GSSSSNM C23H40N8O13S 668.2436 NA PeJP NA NA +PJ014362 GDEYW C31H36N6O11 668.2442 NA PeJP NA NA +PJ014363 CEMMR C24H44N8O8S3 668.2444 NA PeJP NA NA +PJ014364 GCCQKM C24H44N8O8S3 668.2445 NA PeJP NA NA +MJ089616 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 1,2,14-tri-Ac C35H40O13 668.246891 NA MeJP NA NA +PJ014365 GSPDMY C28H40N6O11S 668.2476 NA PeJP NA NA +PJ014366 AMMMW C29H44N6O6S3 668.2485 NA PeJP NA NA +PJ014367 SCHHW C29H36N10O7S 668.2489 NA PeJP NA NA +PJ014368 GTTEMM C25H44N6O11S2 668.251 NA PeJP NA NA +PJ014369 SSSDHH C25H36N10O12 668.2514 NA PeJP NA NA +PJ014370 NMMHH C26H40N10O7S2 668.2523 NA PeJP NA NA +PJ014371 PDDHW C30H36N8O10 668.2555 NA PeJP NA NA +PJ014372 GCCCKR C23H44N10O7S3 668.2557 NA PeJP NA NA +PJ014373 NNQMY C27H40N8O10S 668.2588 NA PeJP NA NA +PJ014374 GGGGGAMY C27H40N8O10S 668.2589 NA PeJP NA NA +PJ014375 DYWW C35H36N6O8 668.2595 NA PeJP NA NA +MJ089617 6-Chloro-2,9,12,13,14-pentahydroxy-4,8(17)-briaradien-18,7-olide; 13-(3-Methylbutanoyl), 2,9,12,14-tetra-Ac C33H45ClO12 668.259954 NA MeJP NA NA +PJ014376 SSSSSSQ C23H40N8O15 668.2613 NA PeJP NA NA +PJ014377 SSCNKM C24H44N8O10S2 668.2622 NA PeJP NA NA +PJ014378 GNNNNH C24H36N12O11 668.2627 NA PeJP NA NA +PJ014379 PTCYW C32H40N6O8S 668.2629 NA PeJP NA NA +PJ014380 TQEEY C28H40N6O13 668.2654 NA PeJP NA NA +PJ014381 TTMMW C29H44N6O8S2 668.2662 NA PeJP NA NA +PJ014382 NDHHF C29H36N10O9 668.2667 NA PeJP NA NA +MJ089618 19-Hydroxydeacetylnomilinic acid; 3,19-Lactone, 17-O-?-D-glucopyranoside C32H44O15 668.26802 NA MeJP NA NA +MJ089619 4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 10-(Hydroxyacetyl), 2,5,7,9,13-penta-Ac C32H44O15 668.26802 NA MeJP NA NA +MJ089620 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 10-(Hydroxyacetyl), 2,4,7,9,13-penta-Ac C32H44O15 668.26802 NA MeJP NA NA +MJ089621 Isolimonic acid; 17-O-?-D-Glucopyranoside C32H44O15 668.26802 NA MeJP NA NA +PJ014383 STTTEM C25H44N6O13S 668.2687 NA PeJP NA NA +PJ014384 KEMMM C26H48N6O8S3 668.2696 NA PeJP NA NA +PJ014385 CNNRY C26H40N10O9S 668.2701 NA PeJP NA NA +MJ089622 Pycmanilline C38H40N2O9 668.27338 NA MeJP NA NA +MJ089623 Secoobaberine, O12'-De-Me, carboxylic acid, Me ester C38H40N2O9 668.27338 NA MeJP NA NA +PJ014386 SDERY C27H40N8O12 668.2766 NA PeJP NA NA +PJ014387 PCMRY C28H44N8O7S2 668.2775 NA PeJP NA NA +PJ014388 MFWW C36H40N6O5S 668.2781 NA PeJP NA NA +MJ089624 Alphostatin C25H45N6O13P 668.278222 NA MeJP NA NA +PJ014389 GSSSTCK C24H44N8O12S 668.28 NA PeJP NA NA +PJ014390 ATEYW C32H40N6O10 668.2806 NA PeJP NA NA +PJ014391 TMMMR C25H48N8O7S3 668.2808 NA PeJP NA NA +7847 NA YPFWG 668.283 immunomodulating Inhouse_peptide NA peptide +MJ089625 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 14-(2-methylbutanoyl), 8-Ac C36H44O12 668.283276 NA MeJP NA NA +MJ089626 Agrimols; Agrimol C C36H44O12 668.283276 NA MeJP NA NA +MJ089627 Agrimols; Agrimol G C36H44O12 668.283276 NA MeJP NA NA +MJ089628 Filixic acids; Filixic acid BBB C36H44O12 668.283276 NA MeJP NA NA +MJ089629 Humilinolide C; 6R-Acetoxy C36H44O12 668.283276 NA MeJP NA NA +MJ089630 Japonicin D C36H44O12 668.283276 NA MeJP NA NA +MJ089631 Triaspidin C36H44O12 668.283276 NA MeJP NA NA +MJ089632 Trisaemulins; Trisaemulin BBB C36H44O12 668.283276 NA MeJP NA NA +MJ089633 Trisaspidin C36H44O12 668.283276 NA MeJP NA NA +MJ089634 Trisparaaspidin C36H44O12 668.283276 NA MeJP NA NA +C10669 Agrimol C C36H44O12 668.2833 NA KEGG NA NA +C10693 Filixic acid BBB C36H44O12 668.2833 NA KEGG NA NA +PJ014392 VQEMY C29H44N6O10S 668.284 NA PeJP NA NA +PJ014393 SSTLMM C26H48N6O10S2 668.2873 NA PeJP NA NA +PJ014394 TTTCLM C26H48N6O10S2 668.2874 NA PeJP NA NA +PJ014395 SSTTHH C26H40N10O11 668.2878 NA PeJP NA NA +PJ014396 GGGGGVEH C26H40N10O11 668.2879 NA PeJP NA NA +3418 NA HQAAGW 668.29 ACE inhibitor Inhouse_peptide NA peptide +PJ014397 NNQFF C31H40N8O9 668.2918 NA PeJP NA NA +PJ014398 PTEHW C31H40N8O9 668.2919 NA PeJP NA NA +MJ089635 Zaliline C35H44N2O11 668.29451 NA MeJP NA NA +PJ014399 AEMRY C28H44N8O9S 668.2952 NA PeJP NA NA +PJ014400 GPFYW C36H40N6O7 668.2959 NA PeJP NA NA +PJ014401 SSSSSSK C24H44N8O14 668.2977 NA PeJP NA NA +PJ014402 STCCKK C25H48N8O9S2 668.2986 NA PeJP NA NA +PJ014403 NNEHR C25H40N12O10 668.2991 NA PeJP NA NA +PJ014404 GLMYW C33H44N6O7S 668.2992 NA PeJP NA NA +PJ014405 GAPMFF C33H44N6O7S 668.2993 NA PeJP NA NA +PJ014406 TKEEY C29H44N6O12 668.3017 NA PeJP NA NA +PJ014407 PPPTEE C29H44N6O12 668.3018 NA PeJP NA NA +PJ014408 PKMMY C30H48N6O7S2 668.3026 NA PeJP NA NA +PJ014409 AQQHW C30H40N10O8 668.3031 NA PeJP NA NA +PJ014410 PEMHR C27H44N10O8S 668.3065 NA PeJP NA NA +MJ089636 Calafatine; N2'-Oxide(?-) C39H44N2O8 668.309766 NA MeJP NA NA +MJ089637 Calafatine; N2'-Oxide(?-) C39H44N2O8 668.309766 NA MeJP NA NA +MJ089638 Faurithaline C39H44N2O8 668.309766 NA MeJP NA NA +MJ089639 Hernandezine; N'-Oxide C39H44N2O8 668.309766 NA MeJP NA NA +MJ089640 Istanbulamine C39H44N2O8 668.309766 NA MeJP NA NA +MJ089641 Thalibrunine C39H44N2O8 668.309766 NA MeJP NA NA +MJ089642 Thalicarpine; O1,O5''-Di-de-Me C39H44N2O8 668.309766 NA MeJP NA NA +MJ089643 Thalicarpine; O1,O7'-Di-de-Me C39H44N2O8 668.309766 NA MeJP NA NA +MJ089644 Thalicarpine; O7',O5''-Di-de-Me C39H44N2O8 668.309766 NA MeJP NA NA +MJ089645 Thalidasine; 5-Hydroxy C39H44N2O8 668.309766 NA MeJP NA NA +MJ089646 Thalidasine; N2-Oxide (?-) C39H44N2O8 668.309766 NA MeJP NA NA +MJ089647 Thalifaberine; 5'-Hydroxy, 3-demethoxy, O9-de-Me C39H44N2O8 668.309766 NA MeJP NA NA +MJ089648 Thalifaberine; O3,O6'-Di-de-Me C39H44N2O8 668.309766 NA MeJP NA NA +MJ089649 Thalifaberine; O3,O9-Di-de-Me C39H44N2O8 668.309766 NA MeJP NA NA +MJ089650 Thalifaberine; O6',O9-Di-de-Me C39H44N2O8 668.309766 NA MeJP NA NA +MJ089651 Thalifaberine; O7',O9-Di-de-Me C39H44N2O8 668.309766 NA MeJP NA NA +MJ089652 Thalirevolutine; O7',O4''-Di-de-Me C39H44N2O8 668.309766 NA MeJP NA NA +MJ089653 Thalistine C39H44N2O8 668.309766 NA MeJP NA NA +MJ089654 Thalmirabine C39H44N2O8 668.309766 NA MeJP NA NA +MJ089655 Thalrugosaminine; N2'-Oxide (?-) C39H44N2O8 668.309766 NA MeJP NA NA +MJ089656 Uskudaramine C39H44N2O8 668.309766 NA MeJP NA NA +PJ014411 PVMHW C32H44N8O6S 668.3105 NA PeJP NA NA +PJ014412 TTERY C28H44N8O11 668.313 NA PeJP NA NA +C13326 Kad 1229 C10H16N2O2 668.3138 NA KEGG NA NA +C13327 Transferred to D01855 C10H16N2O2 668.3138 NA KEGG NA NA +C13328 Transferred to D01856 C10H16N2O2 668.3138 NA KEGG NA NA +C13329 Transferred to D01857 C10H16N2O2 668.3138 NA KEGG NA NA +C13330 Transferred to D01858 C10H16N2O2 668.3138 NA KEGG NA NA +C13331 Transferred to D01859 C10H16N2O2 668.3138 NA KEGG NA NA +C13332 Transferred to D01860 C10H16N2O2 668.3138 NA KEGG NA NA +C13333 Transferred to D01861 C10H16N2O2 668.3138 NA KEGG NA NA +PJ014413 CLMFR C29H48N8O6S2 668.3138 NA PeJP NA NA +PJ014414 GNHRW C29H40N12O7 668.3143 NA PeJP NA NA +7476 coeliac toxic peptide VLKMAGNSFQEN 668.3151 MH2+ Inhouse_peptide NA peptide +PJ014415 STLYW C33H44N6O9 668.317 NA PeJP NA NA +PJ014416 VKEMY C30H48N6O9S 668.3204 NA PeJP NA NA +PJ014417 VEEHR C27H44N10O10 668.3242 NA PeJP NA NA +PJ014418 VVEHW C32H44N8O8 668.3282 NA PeJP NA NA +PJ014419 GGGPPVW C32H44N8O8 668.3283 NA PeJP NA NA +MJ089657 Glaudelsine C36H48N2O10 668.330895 NA MeJP NA NA +MJ089658 Lycaconitine C36H48N2O10 668.330895 NA MeJP NA NA +MJ089659 Nudicauline; O14-De-Ac C36H48N2O10 668.330895 NA MeJP NA NA +C08673 14-Deacetylnudicauline C36H48N2O10 668.3309 NA KEGG NA NA +C08696 Lycaconitine C36H48N2O10 668.3309 NA KEGG NA NA +PJ014420 SLMRY C29H48N8O8S 668.3316 NA PeJP NA NA +PJ014421 GLFFW C37H44N6O6 668.3323 NA PeJP NA NA +PJ014422 TQQHR C26H44N12O9 668.3354 NA PeJP NA NA +PJ014423 NDKHR C26H44N12O9 668.3355 NA PeJP NA NA +PJ014424 PKMFF C34H48N6O6S 668.3356 NA PeJP NA NA +MJ089660 Comoramide A C34H48N6O6S 668.335603 NA MeJP NA NA +PJ014425 SSSLLY C30H48N6O11 668.3381 NA PeJP NA NA +PJ014426 LKMMF C31H52N6O6S2 668.339 NA PeJP NA NA +PJ014427 PPNRW C31H44N10O7 668.3395 NA PeJP NA NA +MJ089661 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-allopyranoside] C34H52O13 668.340791 NA MeJP NA NA +MJ089662 3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-2,6-dideoxy-ribo-hexopyranoside] C34H52O13 668.340791 NA MeJP NA NA +MJ089663 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-2-deoxy-?-D-xylo-hexopyranoside] C34H52O13 668.340791 NA MeJP NA NA +PJ014428 GPCKKH C28H48N10O7S 668.3429 NA PeJP NA NA +MJ089664 Capreomycin; Capreomycin IA C25H44N14O8 668.346654 NA MeJP NA NA +PJ014429 SNHRR C25H44N14O8 668.3467 NA PeJP NA NA +PJ014430 GSSKKY C29H48N8O10 668.3494 NA PeJP NA NA +PJ014431 PVKYY C34H48N6O8 668.3534 NA PeJP NA NA +MJ089665 Huratoxin; 5,20-Di-Ac C38H52O10 668.356047 NA MeJP NA NA +MJ089666 Myrtucommulone A C38H52O10 668.356047 NA MeJP NA NA +PJ014432 GPPDKR C28H48N10O9 668.3606 NA PeJP NA NA +PJ014433 TLLHW C33H48N8O7 668.3646 NA PeJP NA NA +7892 peptide from bovine b-lactoglobulin A MHIRL 668.3674 ACE inhibitor Inhouse_peptide NA peptide +PJ014434 CKKKY C30H52N8O7S 668.368 NA PeJP NA NA +MJ089667 Tryptophyllin 7.1 C38H48N6O5 668.368618 NA MeJP NA NA +PJ014435 GSPPRR C27H48N12O8 668.3718 NA PeJP NA NA +PJ014436 PPTLLE C31H52N6O10 668.3745 NA PeJP NA NA +PJ014437 AKKHW C32H48N10O6 668.3759 NA PeJP NA NA +MJ089668 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-oleandropyranoside] C35H56O12 668.377177 NA MeJP NA NA +MJ089669 8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside] C35H56O12 668.377177 NA MeJP NA NA +PJ014438 LLMHR C29H52N10O6S 668.3792 NA PeJP NA NA +3529 ACE inhibitor AVNPIR 668.3849 ACE inhibitor Inhouse_peptide NA peptide +PJ014439 SPPLQK C30H52N8O9 668.3857 NA PeJP NA NA +MJ089670 Miraziridine A C30H52N8O9 668.385725 NA MeJP NA NA +PJ014440 SSLLLH C30H52N8O9 668.3858 NA PeJP NA NA +PJ014441 VLKFY C35H52N6O7 668.3898 NA PeJP NA NA +MJ089671 Antibiotic VM 44866; 22-Deoxy, 13?-(2-methylpropanoyloxy), 5-Me ether C39H56O9 668.392433 NA MeJP NA NA +PJ014442 PPVLLM C32H56N6O7S 668.3932 NA PeJP NA NA +MJ089672 Ficus Latex peptide 1 C29H52N10O8 668.396958 NA MeJP NA NA +PJ014443 APPTKR C29H52N10O8 668.397 NA PeJP NA NA +PJ014444 PLQRR C28H52N12O7 668.4082 NA PeJP NA NA +PJ014445 PVVLLE C32H56N6O9 668.4109 NA PeJP NA NA +MJ089673 Cymbidoside C36H60O11 668.413562 NA MeJP NA NA +MJ089674 Surgumycin C36H60O11 668.413562 NA MeJP NA NA +PJ014446 SPPLKK C31H56N8O8 668.4221 NA PeJP NA NA +PJ014447 GGPVVLK C31H56N8O8 668.4222 NA PeJP NA NA +MJ089675 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 20-(9Z,12Z-Octadecadienoyl), 13-Ac C40H60O8 668.428818 NA MeJP NA NA +PJ014448 GPVLKR C30H56N10O7 668.4334 NA PeJP NA NA +MJ089676 Criamide A C35H56N8O5 668.437366 NA MeJP NA NA +MetaCyc04033 1-18:3-2-trans-16:1-sn-glycerol-3-phosphate [] C37H65O8P1 668.441706 NA metacyc NA NA +PJ014449 PLKRR C29H56N12O6 668.4446 NA PeJP NA NA +PJ014450 PTLLLL C33H60N6O8 668.4473 NA PeJP NA NA +PJ014451 APLLKK C32H60N8O7 668.4585 NA PeJP NA NA +PJ014452 VVLLLL C34H64N6O7 668.4837 NA PeJP NA NA +EUR1035 d18:1-12:0 SM [M+Na]+ C35H71N2O6P 668.486922 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1035 d18:1-12:0 SM [M+Na]+ C35H71N2O6P 668.486922 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1035 d18:1-12:0 SM [M+Na]+ C35H71N2O6P 668.486922 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1035 d18:1-12:0 SM [M+Na]+ C35H71N2O6P 668.486922 masses lipides attendues Inhousejuil11 NA NA +MJ089677 Pukeensine C44H64N2O3 668.491693 NA MeJP NA NA +MJ089678 33,44-Dihydroxy-3,18,25,42-hexatetracontatetraene-1,31,34,45-tetrayn-20-one C46H68O3 668.516846 NA MeJP NA NA +MJ089679 Isopetroformyne 1 C46H68O3 668.516846 NA MeJP NA NA +MJ089680 Petroformyne 1 C46H68O3 668.516846 NA MeJP NA NA +MJ089681 Batzelladine G C39H68N6O3 668.53529 NA MeJP NA NA +HMDB07179 DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07206 DG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07207 DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07235 DG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07236 DG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07263 DG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07349 DG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07404 DG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07431 DG(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07432 DG(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07458 DG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07459 DG(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07487 DG(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07488 DG(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07515 DG(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07544 DG(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07572 DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07657 DG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07683 DG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07710 DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07711 DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07739 DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07740 DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +HMDB07767 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/0:0) C43H72O5 668.537964 NA HMDB2010 NA NA +C05812 2-Octaprenyl-6-methoxyphenol C47H72O2 668.5532 NA KEGG NA NA +MJ089682 4,21,27,44-Heptatetracontatetraene-1,12,15,46-tetrayne-3,14-diol C47H72O2 668.553231 NA MeJP NA NA +MetaCyc04034 2-octaprenyl-6-methoxyphenol [] C47H72O2 668.553232 NA metacyc NA NA +MJ089683 Archaeol; 3''R-Hydroxy C43H88O4 668.668261 NA MeJP NA NA +MJ089684 Archaeol; 3'R-Hydroxy C43H88O4 668.668261 NA MeJP NA NA +MJ089685 Tubastraine C30H25Br2NO7 668.999777 NA MeJP NA NA +MJ089686 2'-Adenylic acid; 3'-O-(3,4-Di-O-phospho-?-D-glucopyranoside) C16H26N5O18P3 669.048568 NA MeJP NA NA +C13727 Adenophostin A C16H26N5O18P3 669.0486 NA KEGG NA NA +MJ089687 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-Bioside (2) C35H25O14 669.12443 NA MeJP NA NA +C05821 Enterochelin C30H27N3O15 669.1442 NA KEGG NA NA +MJ089688 Enterobactin C30H27N3O15 669.144217 NA MeJP NA NA +MetaCyc04035 enterobactin [Enterochelin;] C30H27N3O15 669.144217 NA metacyc NA NA +FL7AAGGL0067 Delphinidin 3-glucoside-5-(6-acetylglucoside) C29H33O18 669.16668 202661-55-0 knapsack NA NA +PJ014453 CCCNNN C21H35N9O10S3 669.1669 NA PeJP NA NA +PJ014454 GGGGGGCCC C21H35N9O10S3 669.167 NA PeJP NA NA +PJ014455 SCCNDE C22H35N7O13S2 669.1734 NA PeJP NA NA +PJ014456 GGSCCDE C22H35N7O13S2 669.1735 NA PeJP NA NA +PJ014457 PCCCNM C23H39N7O8S4 669.1743 NA PeJP NA NA +PJ014458 GSCCDW C26H35N7O10S2 669.1887 NA PeJP NA NA +PJ014459 GSSSCDD C22H35N7O15S 669.1912 NA PeJP NA NA +PJ014460 GCNDMM C23H39N7O10S3 669.1921 NA PeJP NA NA +FL7ACIGL0001 Hirsutin C30H37O17 669.20307 32221-58-2 knapsack NA NA +PJ014461 GCCCER C22H39N9O9S3 669.2033 NA PeJP NA NA +PJ014462 GCNDDF C26H35N7O12S 669.2065 NA PeJP NA NA +PJ014463 CCQMW C27H39N7O7S3 669.2073 NA PeJP NA NA +PJ014464 SSCNEM C23H39N7O12S2 669.2098 NA PeJP NA NA +PJ014465 GCCNHH C24H35N11O8S2 669.2112 NA PeJP NA NA +PJ014466 DDEEY C27H35N5O15 669.213 NA PeJP NA NA +PJ014467 EEMMM C25H43N5O10S3 669.2172 NA PeJP NA NA +PJ014468 CCCRW C26H39N9O6S3 669.2186 NA PeJP NA NA +PJ014469 SSCCDR C22H39N9O11S2 669.2211 NA PeJP NA NA +PJ014470 GSNDDY C26H35N7O14 669.2242 NA PeJP NA NA +PJ014471 GSSCMW C27H39N7O9S2 669.2251 NA PeJP NA NA +MJ089689 Geodiamolide TA C30H44IN3O6 669.227479 NA MeJP NA NA +PJ014472 GSSSSDM C23H39N7O14S 669.2276 NA PeJP NA NA +PJ014473 GSNMMM C24H43N7O9S3 669.2285 NA PeJP NA NA +PJ014474 DEEMF C28H39N5O12S 669.2316 NA PeJP NA NA +PJ014475 DMMHH C26H39N9O8S2 669.2363 NA PeJP NA NA +PJ014476 GTCCMR C23H43N9O8S3 669.2397 NA PeJP NA NA +PJ014477 SSSTCW C27H39N7O11S 669.2428 NA PeJP NA NA +PJ014478 GGNEMY C27H39N7O11S 669.2429 NA PeJP NA NA +PJ014479 CCKMW C28H43N7O6S3 669.2437 NA PeJP NA NA +PJ014480 SSSSSSE C23H39N7O16 669.2453 NA PeJP NA NA +PJ014481 SSSQMM C24H43N7O11S2 669.2462 NA PeJP NA NA +PJ014482 GNNNDH C24H35N11O12 669.2467 NA PeJP NA NA +PJ014483 TEEEY C28H39N5O14 669.2494 NA PeJP NA NA +PJ014484 PEMMY C29H43N5O9S2 669.2502 NA PeJP NA NA +PJ014485 DDHHF C29H35N9O10 669.2507 NA PeJP NA NA +PJ014486 CNDRY C26H39N9O10S 669.2541 NA PeJP NA NA +PJ014487 CHHHH C27H35N13O6S 669.2554 NA PeJP NA NA +PJ014488 SSSCMR C23H43N9O10S2 669.2574 NA PeJP NA NA +PJ014489 GNMYW C31H39N7O8S 669.2581 NA PeJP NA NA +PJ014490 GSSQEY C27H39N7O13 669.2606 NA PeJP NA NA +PJ014491 GPCCKY C28H43N7O8S2 669.2615 NA PeJP NA NA +PJ014492 GSSSTTM C24H43N7O13S 669.264 NA PeJP NA NA +PJ014493 PDEFY C32H39N5O11 669.2646 NA PeJP NA NA +PJ014494 SVCCKM C25H47N7O8S3 669.2648 NA PeJP NA NA +PJ014495 GTCKMM C25H47N7O8S3 669.2649 NA PeJP NA NA +PJ014496 VEEMY C29H43N5O11S 669.268 NA PeJP NA NA +PJ014497 PCQHW C30H39N9O7S 669.2693 NA PeJP NA NA +PJ014498 GAPCHW C30H39N9O7S 669.2694 NA PeJP NA NA +PJ014499 QQEEH C26H39N9O12 669.2718 NA PeJP NA NA +PJ014500 GAQEEH C26H39N9O12 669.2719 NA PeJP NA NA +PJ014501 CNMFR C27H43N9O7S2 669.2727 NA PeJP NA NA +PJ014502 SSQYW C31H39N7O10 669.2758 NA PeJP NA NA +PJ014503 GGSTYW C31H39N7O10 669.2759 NA PeJP NA NA +MJ089690 Auramycin C; 3''-Deoxy C35H43NO12 669.278525 NA MeJP NA NA +PJ014504 NDKMY C28H43N7O10S 669.2792 NA PeJP NA NA +PJ014505 GGPPPDM C28H43N7O10S 669.2793 NA PeJP NA NA +PJ014506 SSSSTTT C24H43N7O15 669.2817 NA PeJP NA NA +PJ014507 SSSKMM C25H47N7O10S2 669.2826 NA PeJP NA NA +PJ014508 NDEHR C25H39N11O11 669.2831 NA PeJP NA NA +PJ014509 PPMYY C33H43N5O8S 669.2832 NA PeJP NA NA +PJ014510 PEMFF C33H43N5O8S 669.2833 NA PeJP NA NA +PJ014511 LEMMF C30H47N5O8S2 669.2866 NA PeJP NA NA +PJ014512 AQEHW C30H39N9O9 669.2871 NA PeJP NA NA +PJ014513 SNMRY C27H43N9O9S 669.2905 NA PeJP NA NA +PJ014514 GNFFW C35H39N7O7 669.2911 NA PeJP NA NA +MJ089691 Enacyloxin IIa; 18'-Dechloro, 15'-alcohol C33H48ClNO11 669.291589 NA MeJP NA NA +MJ089692 Enacyloxin IIb; 18'-Dechloro, 15'-alcohol C33H48ClNO11 669.291589 NA MeJP NA NA +PJ014515 ACKYW C32H43N7O7S 669.2945 NA PeJP NA NA +PJ014516 GSSKEY C28H43N7O12 669.297 NA PeJP NA NA +PJ014517 NKMMF C29H47N7O7S2 669.2979 NA PeJP NA NA +PJ014518 GDHRW C29H39N11O8 669.2983 NA PeJP NA NA +7718 NA SKWDNFRGSWG 669.2984 MH2+ Inhouse_peptide NA peptide +PJ014519 PVEYY C33H43N5O10 669.301 NA PeJP NA NA +PJ014520 GPTCHR C26H43N11O8S 669.3017 NA PeJP NA NA +PJ014521 AAHWW C34H39N9O6 669.3024 NA PeJP NA NA +PJ014522 PCKHW C31H43N9O6S 669.3057 NA PeJP NA NA +PJ014523 GSSTRY C27H43N9O11 669.3082 NA PeJP NA NA +PJ014524 GGGGAASPP C27H43N9O11 669.3083 NA PeJP NA NA +PJ014525 SSKYW C32H43N7O9 669.3122 NA PeJP NA NA +PJ014526 AAPPEW C32H43N7O9 669.3123 NA PeJP NA NA +MJ089693 31-Homorifamycin W C36H47NO11 669.314911 NA MeJP NA NA +PJ014527 TQKMY C29H47N7O9S 669.3156 NA PeJP NA NA +PJ014528 PPFFY C37H43N5O7 669.3163 NA PeJP NA NA +PJ014529 TQEHR C26H43N11O10 669.3195 NA PeJP NA NA +PJ014530 PLMFY C34H47N5O7S 669.3196 NA PeJP NA NA +PJ014531 LLMMY C31H51N5O7S2 669.323 NA PeJP NA NA +PJ014532 PPDRW C31H43N9O8 669.3235 NA PeJP NA NA +MJ089694 Bulleyanitine B C35H47N3O10 669.326144 NA MeJP NA NA +MJ089695 Bulleyanitine C C35H47N3O10 669.326144 NA MeJP NA NA +MJ089696 Pacifidine; N-(4-Amino-3-methyl-4-oxobutanoyl) C35H47N3O10 669.326144 NA MeJP NA NA +PJ014533 TCKRY C28H47N9O8S 669.3268 NA PeJP NA NA +PJ014534 PPPTCR C28H47N9O8S 669.3269 NA PeJP NA NA +MJ089697 Tuberactinomycin O C25H43N13O9 669.33067 NA MeJP NA NA +MetaCyc04036 tuberactinomycin O [(R)-6-[L-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)glycine]viomycin;] C25H43N13O9 669.33067 NA metacyc NA NA +PJ014535 SDHRR C25H43N13O9 669.3307 NA PeJP NA NA +PJ014536 GTTTKY C29H47N7O11 669.3334 NA PeJP NA NA +PJ014537 ATHRW C30H43N11O7 669.3347 NA PeJP NA NA +PJ014538 VLEFY C34H47N5O9 669.3374 NA PeJP NA NA +PJ014539 VQMHR C27H47N11O7S 669.3381 NA PeJP NA NA +2716 erythromycin inhibitor MFLLF 669.3444 NA Inhouse_peptide NA peptide +PJ014540 APPTER C28H47N9O10 669.3446 NA PeJP NA NA +PJ014541 GPPTLW C33H47N7O8 669.3486 NA PeJP NA NA +PJ014542 AMHRR C26H47N13O6S 669.3493 NA PeJP NA NA +MJ089698 4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-(2-Acetoxy-3-dimethylamino-3-phenylpropanoyl), 10,13-di-Ac C37H51NO10 669.351296 NA MeJP NA NA +MJ089699 Spicataxine C37H51NO10 669.351296 NA MeJP NA NA +PJ014543 TKKMY C30H51N7O8S 669.352 NA PeJP NA NA +PJ014544 PLFFF C38H47N5O6 669.3527 NA PeJP NA NA +PJ014545 TKEHR C27H47N11O9 669.3558 NA PeJP NA NA +PJ014546 GSTLHR C27H47N11O9 669.3559 NA PeJP NA NA +PJ014547 LLMFF C35H51N5O6S 669.356 NA PeJP NA NA +MJ089700 Broussonetinine A; 4,13'-Di-O-?-D-glucopyranoside C30H55NO15 669.35717 NA MeJP NA NA +PJ014548 SLKHW C32H47N9O7 669.3599 NA PeJP NA NA +MJ089701 Oxazolomycin; 16R-Methyl C36H51N3O9 669.36253 NA MeJP NA NA +MJ089702 Oxazolomycin; 16S-Methyl C36H51N3O9 669.36253 NA MeJP NA NA +PJ014549 GPPLMR C29H51N9O7S 669.3633 NA PeJP NA NA +MJ089703 Phoslactomycin; Leustroducsin B C34H56NO10P 669.364183 NA MeJP NA NA +MJ089704 Phoslactomycin; Leustroducsin C C34H56NO10P 669.364183 NA MeJP NA NA +PJ014550 TTHRR C26H47N13O8 669.3671 NA PeJP NA NA +PJ014551 SPPLKE C30H51N7O10 669.3698 NA PeJP NA NA +PJ014552 VLLYY C35H51N5O8 669.3738 NA PeJP NA NA +PJ014553 VKMHR C28H51N11O6S 669.3745 NA PeJP NA NA +PJ014554 GPVLER C29H51N9O9 669.381 NA PeJP NA NA +PJ014555 AAPLLW C34H51N7O7 669.385 NA PeJP NA NA +MJ089705 Lituarine C; 4,5-Dideoxy C38H55NO9 669.387682 NA MeJP NA NA +PJ014556 PPVVKM C31H55N7O7S 669.3884 NA PeJP NA NA +PJ014557 PLERR C28H51N11O8 669.3922 NA PeJP NA NA +PJ014558 PVLRW C33H51N9O6 669.3963 NA PeJP NA NA +PJ014559 PNKRR C27H51N13O7 669.4035 NA PeJP NA NA +PJ014560 SPLLLQ C31H55N7O9 669.4061 NA PeJP NA NA +PJ014561 APLLKE C31H55N7O9 669.4062 NA PeJP NA NA +MJ089706 Pseudodestruxin B C36H55N5O7 669.410149 NA MeJP NA NA +PJ014562 APTLLR C30H55N9O8 669.4174 NA PeJP NA NA +PJ014563 AAPKKR C29H55N11O7 669.4286 NA PeJP NA NA +MJ089707 Antibiotic SF 1902A4a C33H59N5O9 669.431278 NA MeJP NA NA +MJ089708 Antibiotic SF 1902A4b C33H59N5O9 669.431278 NA MeJP NA NA +MJ089709 Antibiotic SUAM 20012; Me ester C33H59N5O9 669.431278 NA MeJP NA NA +MetaCyc04037 globomycin [] C33H59N5O9 669.431279 NA metacyc NA NA +PJ014564 SPLLLK C32H59N7O8 669.4425 NA PeJP NA NA +PJ014565 GAALLLL C32H59N7O8 669.4426 NA PeJP NA NA +PJ014566 GVLLLR C31H59N9O7 669.4538 NA PeJP NA NA +PJ014567 LLLRR C30H59N11O6 669.465 NA PeJP NA NA +PJ014568 ALLLLK C33H63N7O7 669.4789 NA PeJP NA NA +MJ089710 2,3',4,5'-Tetrabromo-2',6-dihydroxydiphenyl ether; 3,5-Dibromo C12H4Br6O3 669.526069 NA MeJP NA NA +MJ089711 2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxy-23-methyltetracosanoyl) C41H83NO5 669.627124 NA MeJP NA NA +MJ089712 2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxypentacosanoyl) C41H83NO5 669.627124 NA MeJP NA NA +MJ089713 2-Amino-1,3,4-octadecanetriol, N-(2R-Hydroxytricosanoyl) C41H83NO5 669.627124 NA MeJP NA NA +MJ089714 Alusulf Al7H17O25S2 669.820801 NA MeJP NA NA +MJ089715 Hydroxypentafuhalol A C30H22O18 670.080613 NA MeJP NA NA +FL5FAGGS0011 Myricetin 3,7-diglucuronide C27H26O20 670.10174 115473-27-3 knapsack NA NA +MJ089716 3,3',4',5,5',7-Hexahydroxyflavone; 3,7-Di-O-?-D-glucuronopyranoside C27H26O20 670.101743 NA MeJP NA NA +MJ089717 Cefpimizole C28H26N6O10S2 670.115182 NA MeJP NA NA +PJ014569 CCCCCH C21H34N8O7S5 670.1154 NA PeJP NA NA +MJ089718 Skyrin, 2-O-?-D-Xylopyranoside C35H26O14 670.132255 NA MeJP NA NA +MJ089719 Skyrin, 2-O-?-Arabinopyranoside C35H26O14 670.132255 NA MeJP NA NA +MJ089720 Blepharismins; Blepharismin 1 C39H26O11 670.147511 NA MeJP NA NA +PJ014570 CCCNND C21H34N8O11S3 670.1509 NA PeJP NA NA +PJ014571 GGCCCND C21H34N8O11S3 670.151 NA PeJP NA NA +FL5FECGS0056 Patuletin 3-(6''-(E)-feruloylglucoside);Quercetagetin 6-methyl ether 3-(6''-(E)-feruloylglucoside);2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-6-methoxy-4H-1-Benzopyran-4-one C32H30O16 670.15338 447440-60-0 knapsack NA NA +MJ089721 3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, 9,9'-Di(shikim-5-yl) ester C32H30O16 670.153384 NA MeJP NA NA +MJ089722 Alterporriol D C32H30O16 670.153384 NA MeJP NA NA +PJ014572 SCCDDE C22H34N6O14S2 670.1575 NA PeJP NA NA +PJ014573 PCCCDM C23H38N6O9S4 670.1583 NA PeJP NA NA +MJ089723 Julichrome Q3.5 C36H30O13 670.168641 NA MeJP NA NA +MJ089724 Antibiotic BE 52440A; Monoalcohol C33H34O13S 670.172011 NA MeJP NA NA +FL5FECGL0012 Spinacetin 3-gentiobioside C29H34O18 670.17451 101021-29-8 knapsack NA NA +FL5FECGS0018 Tomentin 6,4'-diglucoside C29H34O18 670.17451 64190-91-6 knapsack NA NA +FL5FFCGL0011 Limocitrin 3-sophoroside C29H34O18 670.17451 114882-19-8 knapsack NA NA +FL5FFCGL0013 Limocitrin 3,7-diglucoside C29H34O18 670.17451 111133-91-6 knapsack NA NA +FL5FGCGA0001 Limocitrol 3-alpha-L-arabinopyranosyl-(1->3)-galactoside;3-[(3-O-alpha-L-Arabinopyranosyl-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one C29H34O18 670.17451 153976-16-0 knapsack NA NA +MJ089725 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',6,8-Tri-Me ether, 3-O-[?-L-arabinopyranosyl-(1?3)-?-D-galactopyranoside] C29H34O18 670.174514 NA MeJP NA NA +MJ089726 3,3',4',5-Tetrahydroxy-6,7-dimethoxyflavone; 3-O-(?-D-Glucosyl-?-D-galactoside) C29H34O18 670.174514 NA MeJP NA NA +MJ089727 3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C29H34O18 670.174514 NA MeJP NA NA +MJ089728 3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 3,7-Di-O-?-D-glucopyranoside C29H34O18 670.174514 NA MeJP NA NA +MJ089729 3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C29H34O18 670.174514 NA MeJP NA NA +MJ089730 Adenomycin; De-O-seryl C22H34N6O16S 670.175199 NA MeJP NA NA +PJ014574 GCDDMM C23H38N6O11S3 670.1761 NA PeJP NA NA +PJ014575 SCCNNM C22H38N8O10S3 670.1873 NA PeJP NA NA +MJ089731 Haedoxan I; 4'',6''-Dimethoxy C33H34O15 670.18977 NA MeJP NA NA +MJ089732 Picramnioside E; 10-Epimer, 8-O-?-D-glucopyranoside C33H34O15 670.18977 NA MeJP NA NA +PJ014576 GCDDDF C26H34N6O13S 670.1905 NA PeJP NA NA +PJ014577 CCEMW C27H38N6O8S3 670.1913 NA PeJP NA NA +PJ014578 SSCDEM C23H38N6O13S2 670.1939 NA PeJP NA NA +3978 ACE inhibitor CMENSA 670.1943 ACE inhibitor Inhouse_peptide NA peptide +PJ014579 SPCCMM C24H42N6O8S4 670.1947 NA PeJP NA NA +PJ014580 GCCDHH C24H34N10O9S2 670.1952 NA PeJP NA NA +PJ014581 GSSSCCQ C22H38N8O12S2 670.2051 NA PeJP NA NA +PJ014582 GSDDDY C26H34N6O15 670.2082 NA PeJP NA NA +PJ014583 GPCCEY C27H38N6O10S2 670.2091 NA PeJP NA NA +MJ089733 1,2,3,4,6,8-Hexahydroxyxanthone; 1,2,3,4,6-Penta-Me ether, 8-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C30H38O17 670.210899 NA MeJP NA NA +MJ089734 Catalpol; 10-O-(3,4-Dihydroxy-E-cinnamoyl), 6-O-?-L-rhamnopyranoside C30H38O17 670.210899 NA MeJP NA NA +MJ089735 Catalpol; 10-O-(4-Hydroxybenzoyl), 6-O-(4-O-acetyl-?-L-rhamnopyranoside) C30H38O17 670.210899 NA MeJP NA NA +PJ014584 GSDMMM C24H42N6O10S3 670.2125 NA PeJP NA NA +MJ089736 Citbismine B C36H34N2O11 670.216259 NA MeJP NA NA +PJ014585 GCCNQF C26H38N8O9S2 670.2203 NA PeJP NA NA +PJ014586 GGGCCQF C26H38N8O9S2 670.2204 NA PeJP NA NA +PJ014587 SSSSSCN C22H38N8O14S 670.2228 NA PeJP NA NA +PJ014588 SCCCQK C23H42N8O9S3 670.2237 NA PeJP NA NA +PJ014589 PCCYW C31H38N6O7S2 670.2244 NA PeJP NA NA +MJ089737 Diospyrol; 8,8'-Diglucosyl C34H38O14 670.226155 NA MeJP NA NA +PJ014590 NDEMY C27H38N6O12S 670.2269 NA PeJP NA NA +PJ014591 TCMMW C28H42N6O7S3 670.2277 NA PeJP NA NA +PJ014592 SSSEMM C24H42N6O12S2 670.2302 NA PeJP NA NA +PJ014593 GNNDDH C24H34N10O13 670.2307 NA PeJP NA NA +PJ014594 QMMMM C25H46N6O7S4 670.2311 NA PeJP NA NA +MJ089738 Fagopyrine C40H34N2O8 670.231516 NA MeJP NA NA +PJ014595 GSCMHH C25H38N10O8S2 670.2316 NA PeJP NA NA +MJ089739 Aplysiatoxin C32H47BrO10 670.23526 NA MeJP NA NA +C16769 Aplysiatoxin C32H47BrO10 670.2353 NA KEGG NA NA +PJ014596 CDDRY C26H38N8O11S 670.2381 NA PeJP NA NA +MJ089740 6-Chloro-2,8,9,11,12,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 12-Butanoyl, 2,9,11,14-tetra-Ac C32H43ClO13 670.239219 NA MeJP NA NA +PJ014597 GSSSCCK C23H42N8O11S2 670.2415 NA PeJP NA NA +PJ014598 GDMYW C31H38N6O9S 670.2421 NA PeJP NA NA +PJ014599 CMMMR C24H46N8O6S4 670.2423 NA PeJP NA NA +MJ089741 4-[4-[4-[2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-1,2,4-triazol-3-one C32H31F5N8O3 670.243927 NA MeJP NA NA +PJ014600 GSSEEY C27H38N6O14 670.2446 NA PeJP NA NA +PJ014601 GPTCMY C28H42N6O9S2 670.2455 NA PeJP NA NA +MJ089742 Bruceosin; 2',3'-Dihydro, 18-carboxylic acid, 2-O-?-D-glucopyranoside C31H42O16 670.247285 NA MeJP NA NA +MJ089743 Cycloolivil, 9-O-[?-D-Apiofuranosyl(1?6)-?-D-glucopyranoside] C31H42O16 670.247285 NA MeJP NA NA +MJ089744 Olivil; 9-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] C31H42O16 670.247285 NA MeJP NA NA +PJ014602 GTTMMM C25H46N6O9S3 670.2489 NA PeJP NA NA +PJ014603 SSTCHH C25H38N10O10S 670.2493 NA PeJP NA NA +PJ014604 GGGGSPCH C25H38N10O10S 670.2494 NA PeJP NA NA +PJ014605 PCEHW C30H38N8O8S 670.2534 NA PeJP NA NA +PJ014606 SSSNNY C26H38N8O13 670.2558 NA PeJP NA NA +PJ014607 GGSSSNY C26H38N8O13 670.2559 NA PeJP NA NA +PJ014608 CDMFR C27H42N8O8S2 670.2567 NA PeJP NA NA +PJ014609 SSEYW C31H38N6O11 670.2599 NA PeJP NA NA +PJ014610 SCCCKK C24H46N8O8S3 670.2601 NA PeJP NA NA +PJ014611 CCLFW C32H42N6O6S2 670.2607 NA PeJP NA NA +PJ014612 GMMFW C32H42N6O6S2 670.2608 NA PeJP NA NA +PJ014613 TQEMY C28H42N6O11S 670.2632 NA PeJP NA NA +PJ014614 GATEMY C28H42N6O11S 670.2633 NA PeJP NA NA +PJ014615 YYYY C36H38N4O9 670.2639 NA PeJP NA NA +PJ014616 CQHHF C29H38N10O7S 670.2646 NA PeJP NA NA +PJ014617 STTTMM C25H46N6O11S2 670.2666 NA PeJP NA NA +PJ014618 DDEHR C25H38N10O12 670.2671 NA PeJP NA NA +PJ014619 KMMMM C26H50N6O6S4 670.2675 NA PeJP NA NA +PJ014620 AEEHW C30H38N8O10 670.2711 NA PeJP NA NA +MJ089745 Antibiotic 301B; 5-O-Deglycosyl, N4-de-Me C34H42N2O12 670.273774 NA MeJP NA NA +MJ089746 Antibiotic NA 30851A C34H42N2O12 670.273774 NA MeJP NA NA +PJ014621 SDMRY C27H42N8O10S 670.2745 NA PeJP NA NA +PJ014622 GDFFW C35H38N6O8 670.2751 NA PeJP NA NA +PJ014623 ATMYW C32H42N6O8S 670.2785 NA PeJP NA NA +MJ089747 Tetrandrine, N2-Chloromethyl C39H44ClN2O6(+) 670.280964 NA MeJP NA NA +PJ014624 GTTTEY C28H42N6O13 670.281 NA PeJP NA NA +PJ014625 VQMMY C29H46N6O8S2 670.2819 NA PeJP NA NA +PJ014626 SNQHW C29H38N10O9 670.2823 NA PeJP NA NA +PJ014627 GGSQHW C29H38N10O9 670.2824 NA PeJP NA NA +MJ089748 Betolide; 17-Alcohol, 14,15-di-O-?-D-glucopyranoside C32H46O15 670.28367 NA MeJP NA NA +PJ014628 QQQMH C26H42N10O9S 670.2857 NA PeJP NA NA +PJ014629 PTMHW C31H42N8O7S 670.2897 NA PeJP NA NA +PJ014630 KEEEH C27H42N8O12 670.2922 NA PeJP NA NA +PJ014631 GSLEEH C27H42N8O12 670.2923 NA PeJP NA NA +PJ014632 AMMRY C28H46N8O7S2 670.2931 NA PeJP NA NA +PJ014633 GSPHHH C28H38N12O8 670.2936 NA PeJP NA NA +PJ014634 TTTYW C32H42N6O10 670.2963 NA PeJP NA NA +PJ014635 NNMHR C25H42N12O8S 670.2969 NA PeJP NA NA +PJ014636 GGNMHR C25H42N12O8S 670.297 NA PeJP NA NA +MJ089749 Premyrsinol; 5-Benzoyl, 3-propanoyl, 7,13,17-tri-Ac C36H46O12 670.298926 NA MeJP NA NA +PJ014637 TKEMY C29H46N6O10S 670.2996 NA PeJP NA NA +PJ014638 CKHHF C30H42N10O6S 670.301 NA PeJP NA NA +4003 NA FFGLMG 670.3024 haemolytic Inhouse_peptide NA peptide +PJ014639 TEEHR C26H42N10O11 670.3035 NA PeJP NA NA +PJ014640 PMMHR C27H46N10O6S2 670.3044 NA PeJP NA NA +PJ014641 SLEHW C31H42N8O9 670.3075 NA PeJP NA NA +MJ089750 15-Anhydrothyrsiferol; ?15(28)-Isomer, di-Ac C34H55BrO8 670.308031 NA MeJP NA NA +MJ089751 15-Anhydrothyrsiferol; Di-Ac C34H55BrO8 670.308031 NA MeJP NA NA +PJ014642 TTMRY C28H46N8O9S 670.3109 NA PeJP NA NA +PJ014643 GVFYW C36H42N6O7 670.3115 NA PeJP NA NA +PJ014644 GSSQHR C25H42N12O10 670.3147 NA PeJP NA NA +PJ014645 VQMFF C33H46N6O7S 670.3149 NA PeJP NA NA +MJ089752 Scandomelonine C41H42N4O5 670.31552 NA MeJP NA NA +PJ014646 SSTTLY C29H46N6O12 670.3174 NA PeJP NA NA +PJ014647 VKMMY C30H50N6O7S2 670.3183 NA PeJP NA NA +PJ014648 SNKHW C30H42N10O8 670.3187 NA PeJP NA NA +MJ089753 3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-xylopyranoside] C33H50O14 670.320056 NA MeJP NA NA +PJ014649 VEMHR C27H46N10O8S 670.3221 NA PeJP NA NA +PJ014650 FRYW C35H42N8O6 670.3228 NA PeJP NA NA +MJ089754 Malekulatine C39H46N2O8 670.325416 NA MeJP NA NA +MJ089755 Thalirugidine C39H46N2O8 670.325416 NA MeJP NA NA +MJ089756 Vanuatine C39H46N2O8 670.325416 NA MeJP NA NA +PJ014651 VVMHW C32H46N8O6S 670.3261 NA PeJP NA NA +PJ014652 ATTLEH C28H46N8O11 670.3286 NA PeJP NA NA +PJ014653 AAAAAAPE C28H46N8O11 670.3287 NA PeJP NA NA +PJ014654 LQHHH C29H42N12O7 670.33 NA PeJP NA NA +3358 ACE inhibitor YALPHA 670.331 celiac toxic Inhouse_peptide NA peptide +PJ014655 PTKYY C33H46N6O9 670.3326 NA PeJP NA NA +PJ014656 GGVLYY C33H46N6O9 670.3327 NA PeJP NA NA +PJ014657 CQKHR C26H46N12O7S 670.3333 NA PeJP NA NA +PJ014658 GACKHR C26H46N12O7S 670.3334 NA PeJP NA NA +MJ089757 Xyloccensin A C37H50O11 670.335312 NA MeJP NA NA +MJ089758 Xyloccensin G C37H50O11 670.335312 NA MeJP NA NA +PJ014659 PPVVEM C30H50N6O9S 670.336 NA PeJP NA NA +MJ089759 Cholestane-3,6,12,21-tetrol, 12-O-?-D-Xylopyranoside, 3-sulfate, Na salt C32H55NaO11S 670.336277 NA MeJP NA NA +PJ014660 AAPQER C27H46N10O10 670.3399 NA PeJP NA NA +PJ014661 GSPPKW C32H46N8O8 670.3439 NA PeJP NA NA +PJ014662 GTLLMH C29H50N8O8S 670.3473 NA PeJP NA NA +PJ014663 PNERR C26H46N12O9 670.3511 NA PeJP NA NA +PJ014664 VKMFF C34H50N6O6S 670.3513 NA PeJP NA NA +MJ089760 Bistabersonine C42H46N4O4 670.351905 NA MeJP NA NA +MJ089761 Voafrine A; 3'-Epimer C42H46N4O4 670.351905 NA MeJP NA NA +PJ014665 APLLEE C30H50N6O11 670.3538 NA PeJP NA NA +MJ089762 Pyroglutamylserylleucylarginyltryptophanamide; L-L-L-L-form C31H46N10O7 670.355093 NA MeJP NA NA +PJ014666 PVNRW C31H46N10O7 670.3551 NA PeJP NA NA +MJ089763 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-canaropyranoside] C34H54O13 670.356441 NA MeJP NA NA +PJ014667 APPCKR C28H50N10O7S 670.3585 NA PeJP NA NA +PJ014668 STTLLH C29H50N8O10 670.365 NA PeJP NA NA +PJ014669 GPRRW C30H46N12O6 670.3664 NA PeJP NA NA +PJ014670 VVKYY C34H50N6O8 670.369 NA PeJP NA NA +PJ014671 CKKHR C27H50N12O6S 670.3697 NA PeJP NA NA +MJ089764 22,23-Dihydroxymilbemycin ?1; 23-O-(2,4-Dimethyl-2-pentenoyl) C38H54O10 670.371697 NA MeJP NA NA +MJ089765 Antibiotic VM 44866; 13?-(2-Methylpropanoyloxy) C38H54O10 670.371697 NA MeJP NA NA +MJ089766 Antibiotic VM 44866; 23?-(2-Methylpropanoyloxy) C38H54O10 670.371697 NA MeJP NA NA +MJ089767 Onchitriol I; 4,13-Diepimer, tri-Ac C38H54O10 670.371697 NA MeJP NA NA +PJ014672 PPTLLM C31H54N6O8S 670.3724 NA PeJP NA NA +PJ014673 SSPPKR C28H50N10O9 670.3762 NA PeJP NA NA +PJ014674 AAPKER C28H50N10O9 670.3763 NA PeJP NA NA +PJ014675 PLQKW C33H50N8O7 670.3803 NA PeJP NA NA +MJ089768 Delajacine C37H54N2O9 670.382931 NA MeJP NA NA +MJ089769 Lycoctonine; 18-O-[2-[(2-Methylbutanoyl)amino]benzoyl] (S-) C37H54N2O9 670.382931 NA MeJP NA NA +PJ014676 APPKKM C30H54N8O7S 670.3837 NA PeJP NA NA +MJ089770 Amphibine E C38H50N6O5 670.384268 NA MeJP NA NA +MJ089771 Saquinavir C38H50N6O5 670.384268 NA MeJP NA NA +PJ014677 PDKRR C27H50N12O8 670.3875 NA PeJP NA NA +PJ014678 SPLLLE C31H54N6O10 670.3902 NA PeJP NA NA +MJ089772 Glycylalanylprolylmethionylphenylalanylvalinamide; 2-L-Proline, 4-L-arginine analogue C32H50N10O6 670.391479 NA MeJP NA NA +PJ014679 VLHFR C32H50N10O6 670.3915 NA PeJP NA NA +C13299 Fungichromin C35H58O12 670.3928 NA KEGG NA NA +C13300 Transferred to D01830 C35H58O12 670.3928 NA KEGG NA NA +C13301 Transferred to D01831 C35H58O12 670.3928 NA KEGG NA NA +C13302 Transferred to D01832 C35H58O12 670.3928 NA KEGG NA NA +C13303 Transferred to D01833 C35H58O12 670.3928 NA KEGG NA NA +C13304 Transferred to D01834 C35H58O12 670.3928 NA KEGG NA NA +C13305 Transferred to D01835 C35H58O12 670.3928 NA KEGG NA NA +C13306 Transferred to D01836 C35H58O12 670.3928 NA KEGG NA NA +C13307 Transferred to D01837 C35H58O12 670.3928 NA KEGG NA NA +C13308 Transferred to D01838 C35H58O12 670.3928 NA KEGG NA NA +MJ089773 Antibiotic 250-144C C35H58O12 670.392827 NA MeJP NA NA +MJ089774 Chalcomycin; 10,11-Dihydro, 8-deoxy, 12,13-deepoxy, 12,13-dihydro C35H58O12 670.392827 NA MeJP NA NA +MJ089775 Elizabethin C35H58O12 670.392827 NA MeJP NA NA +MJ089776 Fungichromin C35H58O12 670.392827 NA MeJP NA NA +MJ089777 Pregn-5-ene-3,8,11,12,14,20-hexol, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C35H58O12 670.392827 NA MeJP NA NA +MJ089778 Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C35H58O12 670.392827 NA MeJP NA NA +MJ089779 Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-cymaropyranoside] C35H58O12 670.392827 NA MeJP NA NA +MJ089780 3,14-Dihydroxybufa-20,22-dienolide, 3-(Arginyladipoyl) C36H54N4O8 670.394164 NA MeJP NA NA +PJ014680 KKKMH C29H54N10O6S 670.3949 NA PeJP NA NA +PJ014681 SPRRR C26H50N14O7 670.3987 NA PeJP NA NA +PJ014682 GPLKKE C30H54N8O9 670.4014 NA PeJP NA NA +PJ014683 PPVVLF C35H54N6O7 670.4054 NA PeJP NA NA +PJ014684 PVVLLM C32H58N6O7S 670.4088 NA PeJP NA NA +2583 tenecin-1 (34-42) CNGKRVCVC~ 670.4109 antibacterial Inhouse_peptide NA peptide +PJ014685 GPTLKR C29H54N10O8 670.4126 NA PeJP NA NA +PJ014686 GGGVLLR C29H54N10O8 670.4127 NA PeJP NA NA +PJ014687 PLKKW C34H54N8O6 670.4167 NA PeJP NA NA +MJ089781 Bronianone C43H58O6 670.423339 NA MeJP NA NA +MJ089782 Guttiferone B C43H58O6 670.423339 NA MeJP NA NA +MJ089783 Guttiferone C C43H58O6 670.423339 NA MeJP NA NA +PJ014688 VLQRR C28H54N12O7 670.4239 NA PeJP NA NA +PJ014689 ALLLLE C32H58N6O9 670.4266 NA PeJP NA NA +C06693 Monensin C36H62O11 670.4292 NA KEGG NA NA +MJ089784 14,17:20,24-Diepoxy-3,12,25,30-malabaricanetetrol, 3-O-?-D-Glucopyranoside C36H62O11 670.429212 NA MeJP NA NA +MJ089785 Dammar-23-ene-1,2,3,20,25-pentol, 25-Hydroperoxide, 3-O-?-D-glucopyranoside C36H62O11 670.429212 NA MeJP NA NA +MJ089786 Dammar-25-ene-1,2,3,20,24-pentol, 24-Hydroperoxide, 3-O-?-D-glucopyranoside C36H62O11 670.429212 NA MeJP NA NA +MJ089787 Monensin; Monensin A C36H62O11 670.429212 NA MeJP NA NA +PJ014690 ALRRR C27H54N14O6 670.4351 NA PeJP NA NA +PJ014691 SPVLKK C31H58N8O8 670.4378 NA PeJP NA NA +MJ089788 12-Oleanene-3,15,16,21,22,28-hexol, 21,22-Di-O-angeloyl C40H62O8 670.444468 NA MeJP NA NA +MJ089789 12-Oleanene-3,16,21,22,23,28-hexol, 21,22-Diangeloyl C40H62O8 670.444468 NA MeJP NA NA +MJ089790 12-Oleanene-3,16,21,22,23,28-hexol, 21,22-Ditigloyl C40H62O8 670.444468 NA MeJP NA NA +MJ089791 12-Oleanene-3,16,21,22,24,28-hexol, 21,22-Diangeloyl C40H62O8 670.444468 NA MeJP NA NA +PJ014692 AALLKR C30H58N10O7 670.449 NA PeJP NA NA +MetaCyc04038 1-18:2-2-trans-16:1-sn-glycerol-3-phosphate [] C37H67O8P1 670.457356 NA metacyc NA NA +PJ014693 VLKRR C29H58N12O6 670.4603 NA PeJP NA NA +PJ014694 SLLLLL C33H62N6O8 670.4629 NA PeJP NA NA +PJ014695 GLLLKK C32H62N8O7 670.4742 NA PeJP NA NA +MJ089792 Pleuromutilin; 1'-O-(9-Eicosenoyl) C42H70O6 670.517239 NA MeJP NA NA +MJ089793 4,20,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14,22-triol C46H70O3 670.532496 NA MeJP NA NA +MJ089794 4,21,26,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14,28-triol C46H70O3 670.532496 NA MeJP NA NA +MJ089795 4,21,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14,17-triol C46H70O3 670.532496 NA MeJP NA NA +MJ089796 4,21,28,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14,27-triol C46H70O3 670.532496 NA MeJP NA NA +MJ089797 4,22,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14,21-triol C46H70O3 670.532496 NA MeJP NA NA +MJ089798 Petrocortyne C C46H70O3 670.532496 NA MeJP NA NA +HMDB05233 DG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] C43H74O5 670.55365 http://www.hmdb.ca/metabolites/HMDB05233 HMDB NA NA +HMDB05233 DG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] C43H74O5 670.55365 HMDB05233 PFEM_hmdb_metabocards_official NA NA +HMDB07177 DG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07178 DG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07205 DG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07234 DG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07291 DG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07320 DG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07348 DG(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07375 DG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07402 DG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07403 DG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07429 DG(20:2(11Z,14Z)/20:3(5Z,8Z,11Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07430 DG(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07457 DG(20:3(5Z,8Z,11Z)/20:2(11Z,14Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07486 DG(20:3(8Z,11Z,14Z)/20:2(11Z,14Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07514 DG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07543 DG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07571 DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07628 DG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07655 DG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07656 DG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07681 DG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07682 DG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07709 DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB07738 DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/0:0) C43H74O5 670.55365 NA HMDB2010 NA NA +HMDB06731 CE(20:5(5Z,8Z,11Z,14Z,17Z) C47H74O2 670.568909 NA HMDB2010 NA NA +HMDB06731 Cholesteryl eicosapentaenoic acid C47H74O2 670.56891 http://www.hmdb.ca/metabolites/HMDB06731 HMDB NA NA +HMDB06731 Cholesteryl eicosapentaenoic acid C47H74O2 670.56891 HMDB06731 PFEM_hmdb_metabocards_official NA NA +MJ089799 Ioglicic acid C13H12I3N3O5 670.7911 NA MeJP NA NA +MJ089800 Iobutoic acid C15H16I3NO5 670.816252 NA MeJP NA NA +MJ089801 Heptacosafluorotributylamine C12F27N 670.95996 NA MeJP NA NA +PJ014696 CCCNDD C21H33N7O12S3 671.135 NA PeJP NA NA +PJ014697 GSPCCCC C22H37N7O9S4 671.1536 NA PeJP NA NA +MJ089802 Enterochelin C30H29N3O15 671.159867 NA MeJP NA NA +PJ014698 SCCNDM C22H37N7O11S3 671.1713 NA PeJP NA NA +PJ014699 GGSCCDM C22H37N7O11S3 671.1714 NA PeJP NA NA +PJ014700 GTCCCW C26H37N7O8S3 671.1866 NA PeJP NA NA +PJ014701 GSSSCCE C22H37N7O13S2 671.1891 NA PeJP NA NA +PJ014702 GCCQMM C23H41N7O8S4 671.19 NA PeJP NA NA +PJ014703 GCCCMR C22H41N9O7S4 671.2012 NA PeJP NA NA +PJ014704 SSSCCW C26H37N7O10S2 671.2044 NA PeJP NA NA +PJ014705 SSSSSCD C22H37N7O15S 671.2068 NA PeJP NA NA +PJ014706 SSCNMM C23H41N7O10S3 671.2077 NA PeJP NA NA +PJ014707 DDEMY C27H37N5O13S 671.2109 NA PeJP NA NA +PJ014708 GNDDDH C24H33N9O14 671.2147 NA PeJP NA NA +PJ014709 EMMMM C25H45N5O8S4 671.2151 NA PeJP NA NA +PJ014710 STCCCR C22H41N9O9S3 671.219 NA PeJP NA NA +PJ014711 CCNFW C30H37N7O7S2 671.2196 NA PeJP NA NA +PJ014712 GSCNEY C26H37N7O12S 671.2221 NA PeJP NA NA +PJ014713 GSSSTCM C23H41N7O12S2 671.2255 NA PeJP NA NA +PJ014714 GCCKMM C24H45N7O7S4 671.2264 NA PeJP NA NA +PJ014715 DEMMF C28H41N5O10S2 671.2295 NA PeJP NA NA +PJ014716 SPCNDH C25H37N9O11S 671.2334 NA PeJP NA NA +PJ014717 SCNYW C30H37N7O9S 671.2374 NA PeJP NA NA +PJ014718 SSSNDY C26H37N7O14 671.2399 NA PeJP NA NA +PJ014719 NNMMY C27H41N7O9S2 671.2407 NA PeJP NA NA +PJ014720 GGGGMMY C27H41N7O9S2 671.2408 NA PeJP NA NA +PJ014721 SSSSSSM C23H41N7O14S 671.2432 NA PeJP NA NA +PJ014722 PDDYY C31H37N5O12 671.2439 NA PeJP NA NA +PJ014723 STCCKM C24H45N7O9S3 671.2441 NA PeJP NA NA +PJ014724 GCNNQH C24H37N11O10S 671.2446 NA PeJP NA NA +PJ014725 TEEMY C28H41N5O12S 671.2473 NA PeJP NA NA +PJ014726 PMMMY C29H45N5O7S3 671.2481 NA PeJP NA NA +PJ014727 CEHHF C29H37N9O8S 671.2486 NA PeJP NA NA +PJ014728 GSNEEH C25H37N9O13 671.2511 NA PeJP NA NA +PJ014729 CCQRY C26H41N9O8S2 671.252 NA PeJP NA NA +PJ014730 NNDFY C30H37N7O11 671.2551 NA PeJP NA NA +MJ089803 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl), 9-(3-furancarbonyl), 14-(2-methylpropanoyl), 2,6-di-Ac C34H41NO13 671.25779 NA MeJP NA NA +MJ089804 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1-(3-furancarbonyl), 6-(2-methylpropanoyl), 2,14-di-Ac C34H41NO13 671.25779 NA MeJP NA NA +MJ089805 Antibiotic TAN 1120 C34H41NO13 671.25779 NA MeJP NA NA +PJ014731 GSSQMY C27H41N7O11S 671.2585 NA PeJP NA NA +PJ014732 SSNNNH C24H37N11O12 671.2623 NA PeJP NA NA +PJ014733 GGGGSSNH C24H37N11O12 671.2624 NA PeJP NA NA +PJ014734 PDMFY C32H41N5O9S 671.2625 NA PeJP NA NA +PJ014735 GPCCHR C25H41N11O7S2 671.2632 NA PeJP NA NA +PJ014736 VEMMY C29H45N5O9S2 671.2659 NA PeJP NA NA +PJ014737 SNEHW C29H37N9O10 671.2664 NA PeJP NA NA +PJ014738 GSSCRY C26H41N9O10S 671.2697 NA PeJP NA NA +PJ014739 GGGVDMH C26H41N9O10S 671.2698 NA PeJP NA NA +PJ014740 CQQFF C31H41N7O8S 671.2737 NA PeJP NA NA +PJ014741 NNMFF C31H41N7O8S 671.2738 NA PeJP NA NA +PJ014742 SSSTQY C27H41N7O13 671.2762 NA PeJP NA NA +PJ014743 GGSSTTY C27H41N7O13 671.2763 NA PeJP NA NA +PJ014744 CQKMY C28H45N7O8S2 671.2771 NA PeJP NA NA +PJ014745 PTEYY C32H41N5O11 671.2803 NA PeJP NA NA +PJ014746 NDMHR C25H41N11O9S 671.281 NA PeJP NA NA +PJ014747 PMMFF C33H45N5O6S2 671.2812 NA PeJP NA NA +PJ014748 GSHWW C33H37N9O7 671.2816 NA PeJP NA NA +PJ014749 LMMMF C30H49N5O6S3 671.2845 NA PeJP NA NA +PJ014750 AQMHW C30H41N9O7S 671.285 NA PeJP NA NA +PJ014751 GSDKEH C26H41N9O12 671.2875 NA PeJP NA NA +PJ014752 CCKRY C27H45N9O7S2 671.2884 NA PeJP NA NA +PJ014753 NQHHH C27H37N13O8 671.2888 NA PeJP NA NA +PJ014754 GSPPEW C31H41N7O10 671.2915 NA PeJP NA NA +MJ089806 Rifamycin W; 30-Hydroxy C35H45NO12 671.294175 NA MeJP NA NA +PJ014755 GSSKMY C28H45N7O10S 671.2949 NA PeJP NA NA +PJ014756 PDFFF C36H41N5O8 671.2955 NA PeJP NA NA +PJ014757 ACHRW C29H41N11O6S 671.2962 NA PeJP NA NA +PJ014758 GSSEHR C25H41N11O11 671.2987 NA PeJP NA NA +PJ014759 GGGGGPDR C25H41N11O11 671.2988 NA PeJP NA NA +PJ014760 PVMYY C33H45N5O8S 671.2989 NA PeJP NA NA +PJ014761 SDKHW C30H41N9O9 671.3027 NA PeJP NA NA +PJ014762 GSSVHW C30H41N9O9 671.3028 NA PeJP NA NA +PJ014763 GPPDMR C27H45N9O9S 671.3061 NA PeJP NA NA +PJ014764 SPPWW C35H41N7O7 671.3068 NA PeJP NA NA +MJ089807 Naphthomycin B; Dechloro C39H45NO9 671.309432 NA MeJP NA NA +PJ014765 AAPPMW C32H45N7O7S 671.3101 NA PeJP NA NA +PJ014766 GPPCLW C32H45N7O7S 671.3102 NA PeJP NA NA +PJ014767 SSSTKY C28H45N7O12 671.3126 NA PeJP NA NA +PJ014768 GPLQEE C28H45N7O12 671.3127 NA PeJP NA NA +PJ014769 CKKMY C29H49N7O7S2 671.3135 NA PeJP NA NA +PJ014770 SSHRW C29H41N11O8 671.314 NA PeJP NA NA +PJ014771 VVEYY C33H45N5O10 671.3167 NA PeJP NA NA +PJ014772 TQMHR C26H45N11O8S 671.3173 NA PeJP NA NA +PJ014773 GATMHR C26H45N11O8S 671.3174 NA PeJP NA NA +PJ014774 AKMHW C31H45N9O6S 671.3214 NA PeJP NA NA +MJ089808 Antrimycin; Antrimycin Av C27H45N9O11 671.323853 NA MeJP NA NA +PJ014775 AAPEER C27H45N9O11 671.3239 NA PeJP NA NA +PJ014776 NKHHH C28H41N13O7 671.3252 NA PeJP NA NA +PJ014777 PLQEW C32H45N7O9 671.3279 NA PeJP NA NA +PJ014778 TCHRR C25H45N13O7S 671.3286 NA PeJP NA NA +PJ014779 APPKEM C29H49N7O9S 671.3313 NA PeJP NA NA +PJ014780 PVFFY C37H45N5O7 671.3319 NA PeJP NA NA +PJ014781 PDERR C26H45N11O10 671.3351 NA PeJP NA NA +PJ014782 VLMFY C34H49N5O7S 671.3353 NA PeJP NA NA +PJ014783 PVDRW C31H45N9O8 671.3391 NA PeJP NA NA +PJ014784 GGGAPKW C31H45N9O8 671.3392 NA PeJP NA NA +PJ014785 APPTMR C28H49N9O8S 671.3425 NA PeJP NA NA +MJ089809 Tryptophyllin L 1.3 C36H45N7O6 671.343132 NA MeJP NA NA +PJ014786 APLWW C36H45N7O6 671.3432 NA PeJP NA NA +PJ014787 CKKFF C33H49N7O6S 671.3465 NA PeJP NA NA +PJ014788 GPLKEE C29H49N7O11 671.349 NA PeJP NA NA +MJ089810 Polymastiamide B C37H53NO8S 671.349188 NA MeJP NA NA +PJ014789 VNHFR C30H45N11O7 671.3504 NA PeJP NA NA +PJ014790 TLLYY C34H49N5O9 671.353 NA PeJP NA NA +PJ014791 TKMHR C27H49N11O7S 671.3537 NA PeJP NA NA +PJ014792 GPTLER C28H49N9O10 671.3603 NA PeJP NA NA +PJ014793 GHFRR C29H45N13O6 671.3616 NA PeJP NA NA +PJ014794 PLKEW C33H49N7O8 671.3643 NA PeJP NA NA +PJ014795 SPPLKM C30H53N7O8S 671.3677 NA PeJP NA NA +PJ014796 VLFFF C38H49N5O6 671.3683 NA PeJP NA NA +PJ014797 GSPQKR C27H49N11O9 671.3715 NA PeJP NA NA +PJ014798 PTLRW C32H49N9O7 671.3755 NA PeJP NA NA +PJ014799 GPVLMR C29H53N9O7S 671.3789 NA PeJP NA NA +PJ014800 VNQRR C26H49N13O8 671.3827 NA PeJP NA NA +PJ014801 GGGGLRR C26H49N13O8 671.3828 NA PeJP NA NA +PJ014802 SPVLKE C30H53N7O10 671.3854 NA PeJP NA NA +PJ014803 PPFRR C31H49N11O6 671.3868 NA PeJP NA NA +PJ014804 PLMRR C28H53N11O6S 671.3901 NA PeJP NA NA +PJ014805 GQRRR C25H49N15O7 671.394 NA PeJP NA NA +PJ014806 SSPLLR C29H53N9O9 671.3966 NA PeJP NA NA +PJ014807 AALLER C29H53N9O9 671.3967 NA PeJP NA NA +PJ014808 LLLQW C34H53N7O7 671.4007 NA PeJP NA NA +PJ014809 APLLKM C31H57N7O7S 671.4041 NA PeJP NA NA +PJ014810 VLERR C28H53N11O8 671.4079 NA PeJP NA NA +PJ014811 VVLRW C33H53N9O6 671.4119 NA PeJP NA NA +3367 ACE inhibitor GKKVLQ 671.419 celiac toxic Inhouse_peptide NA peptide +PJ014812 VNKRR C27H53N13O7 671.4191 NA PeJP NA NA +PJ014813 GLLLKE C31H57N7O9 671.4218 NA PeJP NA NA +26 Hemoglobin GKKVLQ 671.422 celiac toxic Inhouse_peptide NA peptide +MJ089811 Nephilatoxin 10 C32H53N11O5 671.423113 NA MeJP NA NA +PJ014814 GKRRR C26H53N15O6 671.4304 NA PeJP NA NA +PJ014815 GTLLLR C30H57N9O8 671.433 NA PeJP NA NA +PJ014816 GGGLLKK C30H57N9O8 671.4331 NA PeJP NA NA +PJ014817 LLLKW C35H57N7O6 671.4371 NA PeJP NA NA +PJ014818 LQKKR C29H57N11O7 671.4443 NA PeJP NA NA +C11610 Pepsinostreptin C33H61N5O9 671.4469 NA KEGG NA NA +MJ089812 Pepstatins; Pepsidin A C33H61N5O9 671.446928 NA MeJP NA NA +MJ089813 Pepstatins; Pepstatin BU C33H61N5O9 671.446928 NA MeJP NA NA +PJ014819 SVLLLK C32H61N7O8 671.4582 NA PeJP NA NA +PJ014820 GVLKKK C31H61N9O7 671.4694 NA PeJP NA NA +MJ089814 4-Methyl-19(N)-aconitene-1,8,14,16,18-pentol, O1,O16,O18-Tri-Me, 8-hexadecanoyl, 14-Ac C40H65NO7 671.476103 NA MeJP NA NA +MJ089815 2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxyoctadecanoyl), 1-O-sulfate C37H69NO7S 671.479474 NA MeJP NA NA +PJ014821 LKKKR C30H61N11O6 671.4807 NA PeJP NA NA +HMDB08885 PE(14:1(9Z)/P-18:1(11Z)) C37H70NO7P 671.489014 NA HMDB2010 NA NA +HMDB08886 PE(14:1(9Z)/P-18:1(9Z)) C37H70NO7P 671.489014 NA HMDB2010 NA NA +HMDB11402 PE(P-18:1(11Z)/14:1(9Z)) C37H70NO7P 671.489014 NA HMDB2010 NA NA +HMDB11435 PE(P-18:1(9Z)/14:1(9Z)) C37H70NO7P 671.489014 NA HMDB2010 NA NA +MJ089816 2-Amino-4-octadecene-1,3-diol, N-Tetradecanoyl, 1-O-?-D-galactopyranoside C38H73NO8 671.533618 NA MeJP NA NA +HMDB12321 Galactosylceramide (d18:1/14:0) C38H73NO8 671.53363 NA HMDB2010 NA NA +MJ089817 4-Hydroxy-3-hydroxymethyl-2-butenoic acid; Nitrile, O'-octadecanoyl, O''-(14Z-eicosenoyl) C43H77NO4 671.585259 NA MeJP NA NA +MJ089818 Chartelline A; 3-Dechloro, 3-methoxy C21H16Br4N4O2 671.800676 NA MeJP NA NA +MJ089819 ?-Actinorhodin C33H20O16 672.075134 NA MeJP NA NA +PJ014822 CCCDDD C21H32N6O13S3 672.119 NA PeJP NA NA +MJ089820 Piroxicillin C27H28N8O9S2 672.142065 NA MeJP NA NA +MJ089821 ?-Actinorhodin C35H28O14 672.147905 NA MeJP NA NA +PJ014823 CCCCNQ C21H36N8O9S4 672.1488 NA PeJP NA NA +PJ014824 GGGACCCC C21H36N8O9S4 672.1489 NA PeJP NA NA +PJ014825 SCCDDM C22H36N6O12S3 672.1554 NA PeJP NA NA +PJ014826 GSSCCCN C21H36N8O11S3 672.1666 NA PeJP NA NA +MJ089822 3',4',5,5',6,7-Hexahydroxyisoflavone; 3',4',6-Tri-Me ether, 5-O-[4-hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] C32H32O16 672.169034 NA MeJP NA NA +PJ014827 GCCEMM C23H40N6O9S4 672.174 NA PeJP NA NA +MJ089823 Ramosin C36H32O13 672.184291 NA MeJP NA NA +PJ014828 CCCCNK C22H40N8O8S4 672.1852 NA PeJP NA NA +PJ014829 GCCDEF C26H36N6O11S2 672.1884 NA PeJP NA NA +PJ014830 CCMMW C27H40N6O6S4 672.1892 NA PeJP NA NA +MJ089824 1,2,3,4,5,7-Hexahydroxyxanthone; 2,3,4,5-Tetra-Me ether, 1-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C29H36O18 672.190164 NA MeJP NA NA +MJ089825 Sucrose; 3'-O-(3,4-Dihydroxycinnamoyl), 2,3,4,6-tetra-Ac C29H36O18 672.190164 NA MeJP NA NA +PJ014831 SSCDMM C23H40N6O11S3 672.1917 NA PeJP NA NA +PJ014832 ACCCHH C24H36N10O7S3 672.1931 NA PeJP NA NA +PJ014833 GDDDDH C24H32N8O15 672.1988 NA PeJP NA NA +PJ014834 GCCNNY C25H36N8O10S2 672.1996 NA PeJP NA NA +PJ014835 CCDFW C30H36N6O8S2 672.2036 NA PeJP NA NA +MJ089826 2-Hydroxybenzyl 2-hydroxybenzoate; 2-O-(6-O-Benzoyl-?-D-glucopyranoside), 2'-O-?-D-glucopyranoside C33H36O15 672.20542 NA MeJP NA NA +PJ014836 GSCDEY C26H36N6O13S 672.2061 NA PeJP NA NA +PJ014837 GPCCMY C27H40N6O8S3 672.207 NA PeJP NA NA +PJ014838 GTCMMM C24H44N6O8S4 672.2104 NA PeJP NA NA +PJ014839 SSCCHH C24H36N10O9S2 672.2108 NA PeJP NA NA +PJ014840 SPCDDH C25H36N8O12S 672.2174 NA PeJP NA NA +PJ014841 SCDYW C30H36N6O10S 672.2214 NA PeJP NA NA +PJ014842 SSSDDY C26H36N6O15 672.2239 NA PeJP NA NA +PJ014843 NDMMY C27H40N6O10S2 672.2248 NA PeJP NA NA +PJ014844 SSSMMM C24H44N6O10S3 672.2281 NA PeJP NA NA +PJ014845 GCNNEH C24H36N10O11S 672.2286 NA PeJP NA NA +MJ089827 Ergost-22-ene-2,3,6-triol, Tri-O-sulfate C28H48O12S3 672.230789 NA MeJP NA NA +MJ089828 Ergost-25-ene-2,3,6-triol, Tri-O-sulfate C28H48O12S3 672.230789 NA MeJP NA NA +PJ014846 GSDEEH C25H36N8O14 672.2351 NA PeJP NA NA +PJ014847 CCERY C26H40N8O9S2 672.236 NA PeJP NA NA +PJ014848 NDDFY C30H36N6O12 672.2391 NA PeJP NA NA +PJ014849 GGDDFY C30H36N6O12 672.2392 NA PeJP NA NA +PJ014850 ACMYW C31H40N6O7S2 672.24 NA PeJP NA NA +MJ089829 1,2,3,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-Ketone, cinnamoyl, 1,9,a,b,c-penta-Ac C34H40O14 672.241805 NA MeJP NA NA +MJ089830 Antibiotic MA 144 U9 C34H40O14 672.241805 NA MeJP NA NA +MJ089831 Myricanol; 5-O-[(3,4,5-Trihydroxybenzoyl)-(?6)-?-D-glucopyranoside] C34H40O14 672.241805 NA MeJP NA NA +MJ089832 Perforin A C34H40O14 672.241805 NA MeJP NA NA +PJ014851 GSSEMY C27H40N6O12S 672.2425 NA PeJP NA NA +PJ014852 NMMMF C28H44N6O7S3 672.2434 NA PeJP NA NA +PJ014853 CNNHW C28H36N10O8S 672.2438 NA PeJP NA NA +PJ014854 GGCNHW C28H36N10O8S 672.2439 NA PeJP NA NA +PJ014855 SSNNDH C24H36N10O13 672.2464 NA PeJP NA NA +PJ014856 SDEHW C29H36N8O11 672.2504 NA PeJP NA NA +MJ089833 Cortisuzol C37H40N2O8S 672.250536 NA MeJP NA NA +PJ014857 PCMHW C30H40N8O6S2 672.2513 NA PeJP NA NA +PJ014858 QEEMH C26H40N8O11S 672.2538 NA PeJP NA NA +MJ089834 1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 1,2,6-Tribenzoyl, 9-Ac C38H40O11 672.257062 NA MeJP NA NA +MJ089835 1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 2,8,9-Tribenzoyl, 1-Ac C38H40O11 672.257062 NA MeJP NA NA +MJ089836 1,4,6,8,9-Pentahydroxydihydro-?-agarofuran, 6-(3-Furancarbonyl), 9-benzoyl, 8-cinnamoyl,1-Ac C38H40O11 672.257062 NA MeJP NA NA +PJ014859 SSMYW C31H40N6O9S 672.2578 NA PeJP NA NA +MJ089837 4,4''-Bi(N-4-hydroxycinnamoylserotonin), 3'-Methoxy C39H36N4O7 672.258399 NA MeJP NA NA +PJ014860 SSSTEY C27H40N6O14 672.2603 NA PeJP NA NA +PJ014861 TQMMY C28H44N6O9S2 672.2611 NA PeJP NA NA +PJ014862 PPPCEM C28H44N6O9S2 672.2612 NA PeJP NA NA +MJ089838 Nagilactone A; 1-Deoxy, 2?-hydroxy, 2-O-[?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] C31H44O16 672.262935 NA MeJP NA NA +MJ089839 Nagilactone A; 1-Deoxy, 2?-hydroxy, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C31H44O16 672.262935 NA MeJP NA NA +MJ089840 Nagilactone A; 1-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C31H44O16 672.262935 NA MeJP NA NA +PJ014863 DDMHR C25H40N10O10S 672.265 NA PeJP NA NA +MJ089841 Thapoxepine A; Homologue (R = CH2CH3) C37H40N2O10 672.268295 NA MeJP NA NA +MJ089842 Thapsakin B; 3,4-Diepimer, 10-Ac C37H40N2O10 672.268295 NA MeJP NA NA +PJ014864 AEMHW C30H40N8O8S 672.269 NA PeJP NA NA +PJ014865 GTTEEH C26H40N8O13 672.2715 NA PeJP NA NA +MJ089843 Kamalachalcone A C42H40O8 672.272318 NA MeJP NA NA +PJ014866 TCMRY C27H44N8O8S2 672.2724 NA PeJP NA NA +PJ014867 DQHHH C27H36N12O9 672.2728 NA PeJP NA NA +PJ014868 NEHHH C27H36N12O9 672.2729 NA PeJP NA NA +PJ014869 ACFFW C35H40N6O6S 672.273 NA PeJP NA NA +PJ014870 AQEYY C31H40N6O11 672.2755 NA PeJP NA NA +PJ014871 GSCNHR C24H40N12O9S 672.2762 NA PeJP NA NA +MJ089844 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 10-Benzoyl, 2,4,7,9-tetra-Ac C35H44O13 672.278191 NA MeJP NA NA +MJ089845 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 9-Benzoyl, 2,4,7,13-tetra-Ac C35H44O13 672.278191 NA MeJP NA NA +MJ089846 3,5,6,14,15,17-Hexahydroxy-9-segetanone, 3-Benzoyl, 5-(2-hydroxyacetyl), 6,14,17-tri-Ac C35H44O13 672.278191 NA MeJP NA NA +MJ089847 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Hydroxy-3-methylpentanoyl), 3-O-[4-hydroxyphenylacetyl-(?4)-?-D-glucopyranoside] C35H44O13 672.278191 NA MeJP NA NA +MJ089848 3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Hydroxy-3-methylpentanoyl), 3-O-[4-hydroxyphenylacetyl-(?6)-?-D-glucopyranoside] C35H44O13 672.278191 NA MeJP NA NA +MJ089849 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2-Benzoyl, 4,7,9,13-tetra-Ac C35H44O13 672.278191 NA MeJP NA NA +MJ089850 Hispidin B; 15-Detigloyl, 15-Ac C35H44O13 672.278191 NA MeJP NA NA +MJ089851 Rohituka substance 7 C35H44O13 672.278191 NA MeJP NA NA +MJ089852 Trichilia lactone D4; 1,2-Dihydro, 1?-acetoxy C35H44O13 672.278191 NA MeJP NA NA +MJ089853 Utilin B C35H44O13 672.278191 NA MeJP NA NA +PJ014872 GTTTMY C28H44N6O11S 672.2789 NA PeJP NA NA +PJ014873 SSSQQH C25H40N10O12 672.2827 NA PeJP NA NA +PJ014874 GPNDDR C25H40N10O12 672.2828 NA PeJP NA NA +PJ014875 TTEHW C30H40N8O10 672.2868 NA PeJP NA NA +PJ014876 GHHHW C31H36N12O6 672.2881 NA PeJP NA NA +PJ014877 KEEMH C27H44N8O10S 672.2901 NA PeJP NA NA +PJ014878 GGGGPPTM C27H44N8O10S 672.2902 NA PeJP NA NA +PJ014879 AAYYW C35H40N6O8 672.2908 NA PeJP NA NA +PJ014880 PCKYY C32H44N6O8S 672.2941 NA PeJP NA NA +PJ014881 GGVMFY C32H44N6O8S 672.2942 NA PeJP NA NA +PJ014882 STTTTY C28H44N6O13 672.2966 NA PeJP NA NA +PJ014883 GPLEEE C28H44N6O13 672.2967 NA PeJP NA NA +PJ014884 TKMMY C29H48N6O8S2 672.2975 NA PeJP NA NA +PJ014885 NQQHF C29H40N10O9 672.298 NA PeJP NA NA +MJ089854 Saperconazole C35H38F2N8O4 672.298408 NA MeJP NA NA +PJ014886 TEMHR C26H44N10O9S 672.3014 NA PeJP NA NA +PJ014887 GPQWW C34H40N8O7 672.302 NA PeJP NA NA +MJ089855 Aglaine B; 10-Epimer, 10-Ac C38H44N2O9 672.304681 NA MeJP NA NA +MJ089856 Grandiamide A C38H44N2O9 672.304681 NA MeJP NA NA +MJ089857 Vateamine; N2'-Oxide (?-) C38H44N2O9 672.304681 NA MeJP NA NA +PJ014888 SLMHW C31H44N8O7S 672.3054 NA PeJP NA NA +PJ014889 SSTLEH C27H44N8O12 672.3079 NA PeJP NA NA +PJ014890 AALMMH C28H48N8O7S2 672.3088 NA PeJP NA NA +PJ014891 DKHHH C28H40N12O8 672.3092 NA PeJP NA NA +7865 peptide from Alaska pollack frame protein (Theragra chalcogramma) LPHSGY 672.31 anticancer Inhouse_peptide NA peptide +MJ089858 Lactoferroxin A C32H44N6O10 672.311891 NA MeJP NA NA +PJ014892 PLEEW C32H44N6O10 672.3119 NA PeJP NA NA +PJ014893 PPHHW C33H40N10O6 672.3133 NA PeJP NA NA +MJ089859 Heterotropatrione C36H48O12 672.314577 NA MeJP NA NA +PJ014894 SPPLEM C29H48N6O10S 672.3153 NA PeJP NA NA +MJ089860 1-[(Diphenylamino)carbonyl]-4-[[pentyl[[2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]amino]carbonyl]-2-piperazinecarboxylic acid C38H40N8O4 672.317251 NA MeJP NA NA +MJ089861 22,23-Epoxycholest-9(11)-ene-3,6-diol, 3-O-?-D-Glucuronopyranoside, 6-sulfate C33H52O12S 672.317947 NA MeJP NA NA +PJ014895 GSPQER C26H44N10O11 672.3191 NA PeJP NA NA +PJ014896 GGGGGGALQ C26H44N10O11 672.3192 NA PeJP NA NA +PJ014897 VMMHR C27H48N10O6S2 672.32 NA PeJP NA NA +PJ014898 SHHHR C27H40N14O7 672.3205 NA PeJP NA NA +PJ014899 PNKEW C31H44N8O9 672.3231 NA PeJP NA NA +PJ014900 GGPKEW C31H44N8O9 672.3232 NA PeJP NA NA +3720 NA WWPKG 672.325 ACE inhibitor Inhouse_peptide NA peptide +MJ089862 Caribaeoside C35H48N2O11 672.32581 NA MeJP NA NA +7029 synthetic peptide from alpha-gliadin PSSQVSFQQPLQ 672.326 MH2+ Inhouse_peptide NA peptide +PJ014901 ATTLMH C28H48N8O9S 672.3265 NA PeJP NA NA +PJ014902 VNFFF C36H44N6O7 672.3272 NA PeJP NA NA +MJ089863 Grandidone A C40H48O9 672.329833 NA MeJP NA NA +MJ089864 Grandidone B C40H48O9 672.329833 NA MeJP NA NA +PJ014903 NQQQR C25H44N12O10 672.3303 NA PeJP NA NA +PJ014904 GGQQQR C25H44N12O10 672.3304 NA PeJP NA NA +PJ014905 CLKFY C33H48N6O7S 672.3305 NA PeJP NA NA +PJ014906 PPPCLF C33H48N6O7S 672.3306 NA PeJP NA NA +MJ089865 Flexicorine C41H44N4O5 672.33117 NA MeJP NA NA +PJ014907 SPVLEE C29H48N6O12 672.3331 NA PeJP NA NA +PJ014908 PPVVMM C30H52N6O7S2 672.3339 NA PeJP NA NA +PJ014909 SPQRW C30H44N10O8 672.3344 NA PeJP NA NA +PJ014910 AAPQMR C27H48N10O8S 672.3378 NA PeJP NA NA +PJ014911 GPKWW C35H44N8O6 672.3384 NA PeJP NA NA +PJ014912 NNNRR C24H44N14O9 672.3416 NA PeJP NA NA +PJ014913 TTTTLH C28H48N8O11 672.3443 NA PeJP NA NA +PJ014914 SLKYY C33H48N6O9 672.3483 NA PeJP NA NA +PJ014915 PNMRR C26H48N12O7S 672.349 NA PeJP NA NA +MJ089866 Xyloccensin A; 14,15-Dihydro C37H52O11 672.350962 NA MeJP NA NA +PJ014916 APLLEM C30H52N6O9S 672.3517 NA PeJP NA NA +MJ089867 Streptothricin; Streptothricin E, N?-Ac C27H48N10O10 672.355487 NA MeJP NA NA +PJ014917 GSPKER C27H48N10O10 672.3555 NA PeJP NA NA +PJ014918 PDKKW C32H48N8O8 672.3595 NA PeJP NA NA +PJ014919 GGGVVVW C32H48N8O8 672.3596 NA PeJP NA NA +PJ014920 GPLQKM C29H52N8O8S 672.3629 NA PeJP NA NA +PJ014921 VNERR C26H48N12O9 672.3667 NA PeJP NA NA +PJ014922 GGVERR C26H48N12O9 672.3668 NA PeJP NA NA +MJ089868 Alstonisidine C42H48N4O4 672.367556 NA MeJP NA NA +MJ089869 Des-N1a-methylanhydromacralstonine C42H48N4O4 672.367556 NA MeJP NA NA +MJ089870 Isovoafoline C42H48N4O4 672.367556 NA MeJP NA NA +MJ089871 Macrocarpamine; 10-Methoxy C42H48N4O4 672.367556 NA MeJP NA NA +MJ089872 Voafolidine; 2-Deoxy C42H48N4O4 672.367556 NA MeJP NA NA +3508 ACE inhibitor (b-Lg 9-14) GLDIQK 672.3679 ACE inhibitor Inhouse_peptide NA peptide +PJ014923 GLLLEE C30H52N6O11 672.3694 NA PeJP NA NA +MJ089873 Adociasulfate 10 C38H56O8S 672.369589 NA MeJP NA NA +PJ014924 SPKRW C31H48N10O7 672.3708 NA PeJP NA NA +PJ014925 AAPKMR C28H52N10O7S 672.3742 NA PeJP NA NA +PJ014926 GERRR C25H48N14O8 672.378 NA PeJP NA NA +PJ014927 APTKKE C29H52N8O10 672.3807 NA PeJP NA NA +PJ014928 GVRRW C30H48N12O6 672.382 NA PeJP NA NA +PJ014929 LLLEW C34H52N6O8 672.3847 NA PeJP NA NA +MJ089874 22,23-Dihydroxymilbemycin ?1; 23-O-(2,4-Dimethylpentanoyl) C38H56O10 672.387348 NA MeJP NA NA +MJ089875 22,23-Dihydroxymilbemycin ?1; 23-O-(2-Methylhexanoyl) C38H56O10 672.387348 NA MeJP NA NA +MJ089876 Kirkinine C38H56O10 672.387348 NA MeJP NA NA +PJ014930 SPLLLM C31H56N6O8S 672.3881 NA PeJP NA NA +PJ014931 LQKER C28H52N10O9 672.3919 NA PeJP NA NA +PJ014932 RRRW C29H48N14O5 672.3932 NA PeJP NA NA +PJ014933 VLQKW C33H52N8O7 672.3959 NA PeJP NA NA +PJ014934 GPLKKM C30H56N8O7S 672.3993 NA PeJP NA NA +PJ014935 VDKRR C27H52N12O8 672.4031 NA PeJP NA NA +PJ014936 SVLLLE C31H56N6O10 672.4058 NA PeJP NA NA +PJ014937 ALKRW C32H52N10O6 672.4072 NA PeJP NA NA +PJ014938 SVRRR C26H52N14O7 672.4144 NA PeJP NA NA +PJ014939 SPTLKK C30H56N8O9 672.417 NA PeJP NA NA +PJ014940 GVLKKE C30H56N8O9 672.4171 NA PeJP NA NA +PJ014941 APLLLF C35H56N6O7 672.4211 NA PeJP NA NA +PJ014942 ALLLLM C32H60N6O7S 672.4245 NA PeJP NA NA +PJ014943 LKKER C29H56N10O8 672.4283 NA PeJP NA NA +PJ014944 VLKKW C34H56N8O6 672.4323 NA PeJP NA NA +MJ089877 Bacchalejin 1 C43H60O6 672.438989 NA MeJP NA NA +PJ014945 TLKRR C28H56N12O7 672.4395 NA PeJP NA NA +PJ014946 TTLLLL C32H60N6O9 672.4422 NA PeJP NA NA +MJ089878 14,17-Epoxy-3,12,20,24,25-malabaricanepentol, 3-O-?-D-Glucopyranoside C36H64O11 672.444862 NA MeJP NA NA +MJ089879 20,24-Epoxy-3,12,14,17,25-malabaricanepentol, 3-O-?-D-Glucopyranoside C36H64O11 672.444862 NA MeJP NA NA +MJ089880 Dammarane-3,6,12,20,24,25-hexol, 6-O-?-D-Glucopyranoside C36H64O11 672.444862 NA MeJP NA NA +MJ089881 Stigmastane-3,6,8,15,16,29-hexol, 29-[5-O-Methyl-?-D-galactofuranoside] C36H64O11 672.444862 NA MeJP NA NA +PJ014947 ATLLKK C31H60N8O8 672.4534 NA PeJP NA NA +MJ089882 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12,13-Didecanoyl C40H64O8 672.460119 NA MeJP NA NA +PJ014948 AAKKKK C30H60N10O7 672.4647 NA PeJP NA NA +MetaCyc04039 1-18:1-2-trans-16:1-sn-glycerol-3-phosphate [] C37H69O8P1 672.473006 NA metacyc NA NA +HMDB07860 PA(16:0/18:2(9Z,12Z)) C37H69O8P 672.473022 NA HMDB2010 NA NA +MJ089883 Annoheptocin A C37H68O10 672.481248 NA MeJP NA NA +MJ089884 Donnaienin D C37H68O10 672.481248 NA MeJP NA NA +MJ089885 1(19),7,10,12-Xenecatetraene-6,14,17,18-tetrol, 17-Eicosanoyl, 18-Ac C42H72O6 672.53289 NA MeJP NA NA +MJ089886 Crasserides; Tetradecanoylcrasseride C39H76O8 672.554019 NA MeJP NA NA +HMDB05218 DG(20:0/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] C43H76O5 672.56927 http://www.hmdb.ca/metabolites/HMDB05218 HMDB NA NA +HMDB05218 DG(20:0/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] C43H76O5 672.56927 HMDB05218 PFEM_hmdb_metabocards_official NA NA +HMDB07176 DG(18:0/22:4(7Z,10Z,13Z,16Z)/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07197 DG(18:1(11Z)/20:3(5Z,8Z,11Z)/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07262 DG(18:2(9Z,12Z)/22:2(13Z,16Z)/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07290 DG(18:3(6Z,9Z,12Z)/22:1(13Z)/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07319 DG(18:3(9Z,12Z,15Z)/22:1(13Z)/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07347 DG(18:4(6Z,9Z,12Z,15Z)/22:0/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07373 DG(20:0/20:4(5Z,8Z,11Z,14Z)/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07374 DG(20:0/20:4(8Z,11Z,14Z,17Z)/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07400 DG(20:1(11Z)/20:3(5Z,8Z,11Z)/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07401 DG(20:1(11Z)/20:3(8Z,11Z,14Z)/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07428 DG(20:2(11Z,14Z)/20:2(11Z,14Z)/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07456 DG(20:3(5Z,8Z,11Z)/20:1(11Z)/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07485 DG(20:3(8Z,11Z,14Z)/20:1(11Z)/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07513 DG(20:4(5Z,8Z,11Z,14Z)/20:0/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07542 DG(20:4(8Z,11Z,14Z,17Z)/20:0/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07599 DG(22:0/18:4(6Z,9Z,12Z,15Z)/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07626 DG(22:1(13Z)/18:3(6Z,9Z,12Z)/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07627 DG(22:1(13Z)/18:3(9Z,12Z,15Z)/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07654 DG(22:2(13Z,16Z)/18:2(9Z,12Z)/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB07680 DG(22:4(7Z,10Z,13Z,16Z)/18:0/0:0) C43H76O5 672.569275 NA HMDB2010 NA NA +HMDB06726 Cholesteryl arachidonic acid C47H76O2 672.58453 http://www.hmdb.ca/metabolites/HMDB06726 HMDB NA NA +HMDB06726 Cholesteryl arachidonic acid C47H76O2 672.58453 HMDB06726 PFEM_hmdb_metabocards_official NA NA +HMDB06726 CE(20:4(5Z,8Z,11Z,14Z) C47H76O2 672.584534 NA HMDB2010 NA NA +HMDB10371 CE(20:4(8Z,11Z,14Z,17Z)) C47H76O2 672.584534 NA HMDB2010 NA NA +MJ089887 Iolixanic acid C15H18I3NO5 672.831902 NA MeJP NA NA +MJ089888 Iopronic acid C15H18I3NO5 672.831902 NA MeJP NA NA +PJ014949 CCCCNE C21H35N7O10S4 673.1329 NA PeJP NA NA +PJ014950 GCCCCW C25H35N7O7S4 673.1481 NA PeJP NA NA +PJ014951 GSSCCCD C21H35N7O12S3 673.1506 NA PeJP NA NA +PJ014952 SCCCQM C22H39N7O9S4 673.1692 NA PeJP NA NA +PJ014953 SCCCCR C21H39N9O8S4 673.1805 NA PeJP NA NA +PJ014954 GCCNDY C25H35N7O11S2 673.1836 NA PeJP NA NA +PJ014955 GSSSCCM C22H39N7O11S3 673.187 NA PeJP NA NA +PJ014956 GCCNMF C26H39N7O8S3 673.2023 NA PeJP NA NA +PJ014957 SSSSTCC C22H39N7O13S2 673.2047 NA PeJP NA NA +PJ014958 SCCCKM C23H43N7O8S4 673.2056 NA PeJP NA NA +PJ014959 DDMMY C27H39N5O11S2 673.2088 NA PeJP NA NA +MJ089889 Auriside B C30H44BrNO11 673.209773 NA MeJP NA NA +PJ014960 GCNDEH C24H35N9O12S 673.2126 NA PeJP NA NA +PJ014961 MMMMM C25H47N5O6S5 673.213 NA PeJP NA NA +PJ014962 GSCNMY C26H39N7O10S2 673.22 NA PeJP NA NA +PJ014963 DDDFY C30H35N5O13 673.2232 NA PeJP NA NA +PJ014964 DMMMF C28H43N5O8S3 673.2274 NA PeJP NA NA +PJ014965 CNDHW C28H35N9O9S 673.2279 NA PeJP NA NA +PJ014966 SSNDDH C24H35N9O14 673.2304 NA PeJP NA NA +PJ014967 SPCCQH C25H39N9O9S2 673.2312 NA PeJP NA NA +MJ089890 Detorubicin C33H39NO14 673.237054 NA MeJP NA NA +PJ014968 SSSCQY C26H39N7O12S 673.2378 NA PeJP NA NA +PJ014969 ACCCKF C27H43N7O7S3 673.2386 NA PeJP NA NA +PJ014970 PCEYY C31H39N5O10S 673.2418 NA PeJP NA NA +PJ014971 TEMMY C28H43N5O10S2 673.2452 NA PeJP NA NA +PJ014972 CMHHF C29H39N9O6S2 673.2465 NA PeJP NA NA +PJ014973 GSNEMH C25H39N9O11S 673.249 NA PeJP NA NA +MJ089891 Nifalatide C30H39N7O9S 673.252996 NA MeJP NA NA +PJ014974 GPPCDW C30H39N7O9S 673.253 NA PeJP NA NA +PJ014975 GSSSSSY C26H39N7O14 673.2555 NA PeJP NA NA +PJ014976 GTCCKY C27H43N7O9S2 673.2564 NA PeJP NA NA +PJ014977 DEHHH C27H35N11O10 673.2569 NA PeJP NA NA +PJ014978 AEEYY C31H39N5O12 673.2595 NA PeJP NA NA +PJ014979 GSCDHR C24H39N11O10S 673.2602 NA PeJP NA NA +MJ089892 Ustiloxin A C28H43N5O12S 673.262892 NA MeJP NA NA +C08442 Ustiloxin C28H43N5O12S 673.2629 NA KEGG NA NA +PJ014980 VMMMY C29H47N5O7S3 673.2638 NA PeJP NA NA +PJ014981 SNMHW C29H39N9O8S 673.2642 NA PeJP NA NA +PJ014982 GGSMHW C29H39N9O8S 673.2643 NA PeJP NA NA +PJ014983 SSSQEH C25H39N9O13 673.2667 NA PeJP NA NA +PJ014984 GPDDDR C25H39N9O13 673.2668 NA PeJP NA NA +PJ014985 QQMMH C26H43N9O8S2 673.2676 NA PeJP NA NA +PJ014986 PNEEW C30H39N7O11 673.2708 NA PeJP NA NA +MJ089893 Baumycin A1 C34H43NO13 673.27344 NA MeJP NA NA +MJ089894 Betaclamycin M; 4B-O-Deglycosyl C34H43NO13 673.27344 NA MeJP NA NA +PJ014987 SSSCKY C27H43N7O11S 673.2741 NA PeJP NA NA +PJ014988 SPPNEM C27H43N7O11S 673.2742 NA PeJP NA NA +MJ089895 Vibriobactin; 3',3''-Dideoxy C35H39N5O9 673.274777 NA MeJP NA NA +PJ014989 GNNNQQ C24H39N11O12 673.278 NA PeJP NA NA +PJ014990 PTMYY C32H43N5O9S 673.2782 NA PeJP NA NA +PJ014991 CQMHR C25H43N11O7S2 673.2789 NA PeJP NA NA +PJ014992 GSSTHW C29H39N9O10 673.282 NA PeJP NA NA +PJ014993 SPPCDR C26H43N9O10S 673.2854 NA PeJP NA NA +PJ014994 GPEWW C34H39N7O8 673.286 NA PeJP NA NA +PJ014995 GSPPMW C31H43N7O8S 673.2894 NA PeJP NA NA +PJ014996 CCHRR C24H43N13O6S2 673.2901 NA PeJP NA NA +PJ014997 GPDKEE C27H43N7O13 673.2919 NA PeJP NA NA +PJ014998 APPQMM C28H47N7O8S2 673.2928 NA PeJP NA NA +PJ014999 SLEYY C32H43N5O11 673.2959 NA PeJP NA NA +PJ015000 GSSMHR C25H43N11O9S 673.2966 NA PeJP NA NA +PJ015001 VMMFF C33H47N5O6S2 673.2968 NA PeJP NA NA +PJ015002 GQHFW C33H39N9O7 673.2973 NA PeJP NA NA +C18071 N1,N5,N10-Triferuloyl spermidine C37H43N3O9 673.2999 NA KEGG NA NA +PJ015003 TCKHW C30H43N9O7S 673.3006 NA PeJP NA NA +PJ015004 PWWW C38H39N7O5 673.3013 NA PeJP NA NA +PJ015005 SSSKEH C26H43N9O12 673.3031 NA PeJP NA NA +PJ015006 GSPEER C26H43N9O12 673.3032 NA PeJP NA NA +PJ015007 APPCMR C27H47N9O7S2 673.304 NA PeJP NA NA +PJ015008 PDKEW C31H43N7O10 673.3072 NA PeJP NA NA +PJ015009 PHHHF C32H39N11O6 673.3085 NA PeJP NA NA +PJ015010 GPLQEM C28H47N7O10S 673.3105 NA PeJP NA NA +PJ015011 GGPVVDM C28H47N7O10S 673.3106 NA PeJP NA NA +PJ015012 PTFFY C36H43N5O8 673.3112 NA PeJP NA NA +PJ015013 LMHHH C29H43N11O6S 673.3119 NA PeJP NA NA +PJ015014 SSSTHR C25H43N11O11 673.3144 NA PeJP NA NA +C13167 Dihydro-alpha-ergocryptine mesylate C32H43N5O5 673.3145 NA KEGG NA NA +C14054 Dihydro-beta-ergocryptine mesylate C32H43N5O5 673.3145 NA KEGG NA NA +C14055 Dihydroergotoxine mesylate C28H34N5O5R 673.3145 NA KEGG NA NA +PJ015015 CLLYY C33H47N5O8S 673.3145 NA PeJP NA NA +PJ015016 VVMYY C33H47N5O8S 673.3146 NA PeJP NA NA +PJ015017 CKMHR C26H47N11O6S2 673.3152 NA PeJP NA NA +PJ015018 SPERW C30H43N9O9 673.3184 NA PeJP NA NA +PJ015019 AAPEMR C27H47N9O9S 673.3218 NA PeJP NA NA +PJ015020 SPVWW C35H43N7O7 673.3224 NA PeJP NA NA +PJ015021 NNDRR C24H43N13O10 673.3256 NA PeJP NA NA +PJ015022 PLQMW C32H47N7O7S 673.3258 NA PeJP NA NA +MJ089896 N-[(Phenylmethoxy)carbonyl]-L-histidyl-N-(2-methyl-2-phenylpropyl)-N2-[[4-(phenylmethoxy)phenyl]methyl]glycinamide C40H43N5O5 673.326419 NA MeJP NA NA +PJ015023 APTKEE C28H47N7O12 673.3283 NA PeJP NA NA +PJ015024 APPKMM C29H51N7O7S2 673.3292 NA PeJP NA NA +PJ015025 GQQRW C29H43N11O8 673.3296 NA PeJP NA NA +PJ015026 GGGAARW C29H43N11O8 673.3297 NA PeJP NA NA +PJ015027 PDMRR C26H47N11O8S 673.333 NA PeJP NA NA +PJ015028 GKHFW C34H43N9O6 673.3337 NA PeJP NA NA +PJ015029 PCLRW C31H47N9O6S 673.337 NA PeJP NA NA +PJ015030 LQEER C27H47N9O11 673.3395 NA PeJP NA NA +PJ015031 GGGGALDK C27H47N9O11 673.3396 NA PeJP NA NA +PJ015032 KKMMH C28H51N9O6S2 673.3404 NA PeJP NA NA +PJ015033 PQHHR C28H43N13O7 673.3409 NA PeJP NA NA +PJ015034 LLNEW C32H47N7O9 673.3435 NA PeJP NA NA +PJ015035 VLQEW C32H47N7O9 673.3436 NA PeJP NA NA +C06544 Veratridine C36H51NO11 673.3462 NA KEGG NA NA +C08664 Bikhaconitine C36H51NO11 673.3462 NA KEGG NA NA +MJ089897 4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O8,N-Di-Et, O1,O6,O16,O18-tetra-Me, 14-benzoyl, 8-Ac C36H51NO11 673.346211 NA MeJP NA NA +MJ089898 4-Methylaconitane-1,3,6,8,14,16,18-heptol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-(3,4-dimethoxybenzoyl), 8-Ac C36H51NO11 673.346211 NA MeJP NA NA +MJ089899 Germine; O15-(3,4-Dimethoxybenzoyl) C36H51NO11 673.346211 NA MeJP NA NA +MJ089900 Veracevine; O3-(3,4-Dimethoxybenzoyl) C36H51NO11 673.346211 NA MeJP NA NA +PJ015036 GPLKEM C29H51N7O9S 673.3469 NA PeJP NA NA +PJ015037 VVFFY C37H47N5O7 673.3476 NA PeJP NA NA +PJ015038 VDERR C26H47N11O10 673.3508 NA PeJP NA NA +PJ015039 ALERW C31H47N9O8 673.3548 NA PeJP NA NA +2674 substance P RPKPQQFFGLM~ 673.3562 MH2+ Inhouse_peptide NA peptide +PJ015040 GPTLMR C28H51N9O8S 673.3582 NA PeJP NA NA +PJ015041 GLLWW C36H47N7O6 673.3588 NA PeJP NA NA +PJ015042 SQQRR C25H47N13O9 673.362 NA PeJP NA NA +PJ015043 PLKMW C33H51N7O6S 673.3622 NA PeJP NA NA +HMDB01897 Substance P C63H98N18O13S 673.3640745 MH2+ Inhouse_peptide NA peptide +PJ015044 GVLKEE C29H51N7O11 673.3647 NA PeJP NA NA +PJ015045 GQKRW C30H47N11O7 673.366 NA PeJP NA NA +3735 NA RKQDK 673.3739 ACE inhibitor Inhouse_peptide NA peptide +PJ015046 LKEER C28H51N9O10 673.3759 NA PeJP NA NA +PJ015047 PKHHR C29H47N13O6 673.3773 NA PeJP NA NA +PJ015048 VLKEW C33H51N7O8 673.3799 NA PeJP NA NA +PJ015049 GGAPLLF C33H51N7O8 673.38 NA PeJP NA NA +MJ089901 Antibiotic A 83016F C37H55NO10 673.382596 NA MeJP NA NA +MJ089902 Germine; O3,O15-Bis(2-methyl-2-butenoyl) C37H55NO10 673.382596 NA MeJP NA NA +PJ015050 SPVLKM C30H55N7O8S 673.3833 NA PeJP NA NA +PJ015051 TLERR C27H51N11O9 673.3871 NA PeJP NA NA +PJ015052 NKKER C27H51N11O9 673.3872 NA PeJP NA NA +PJ015053 SLLRW C32H51N9O7 673.3912 NA PeJP NA NA +PJ015054 AALLMR C29H55N9O7S 673.3946 NA PeJP NA NA +PJ015055 SQKRR C26H51N13O8 673.3984 NA PeJP NA NA +PJ015056 ATLLKE C30H55N7O10 673.4011 NA PeJP NA NA +PJ015057 GKKRW C31H51N11O6 673.4024 NA PeJP NA NA +8196 f(78-83) of bovine b-lactoglobulin IPAVFK 673.403 Short chain acyl carnitines ;SYN:(-)-(R)-3-Hydroxy-4-(trimethylammonio)butyrate; (-)-carnitine; (R)-(3-Carboxy-2-hydroxypropyl)trimethylammonium hydroxide; (r)-carnitine; (s)-carnitine; 1-carnitine; 3-carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium; Bicarnesine; Carnilean; Carnitene; Carnitine; Carnitor; D-carnitine; delta-carnitine; DL-carnitine; Gamma-trimethyl-ammonium-beta-hydroxybutirate; Gamma-trimethyl-beta-hydroxybutyrobetaine; Gamma-trimethyl-hydroxybutyrobetaine; Karnitin; L-(-)-carnitine; L-carnitine; L-gamma-trimethyl-beta-hydroxybutyrobetaine; Levocarnitina; Levocarnitine; Levocarnitinum; R-(-)-3-hydroxy-4-trimethylaminobutyrate; Vitamin BT; Carniking; Carniking 50; Carnipass; Carnipass 20; 3-hydroxy-4-trimethylammoniobutanoate; 3-hydroxy-4-trimethylammoniobutanoic acidH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +MJ089903 Oleandomycin; 3'-O-De-Me C34H59NO12 673.403726 NA MeJP NA NA +PJ015058 VLMRR C28H55N11O6S 673.4058 NA PeJP NA NA +PJ015059 ATTLLR C29H55N9O9 673.4123 NA PeJP NA NA +PJ015060 GPLLKF C34H55N7O7 673.4163 NA PeJP NA NA +PJ015061 GLLLKM C31H59N7O7S 673.4197 NA PeJP NA NA +PJ015062 DKKKR C28H55N11O8 673.4235 NA PeJP NA NA +PJ015063 SKKRR C27H55N13O7 673.4348 NA PeJP NA NA +PJ015064 VTTILK C31H59N7O9 673.4374 NA PeJP NA NA +PJ015065 STLLLK C31H59N7O9 673.4375 NA PeJP NA NA +MJ089904 Argiotoxin 673 C32H55N11O5 673.438763 NA MeJP NA NA +MJ089905 15-Norerythromycin A; 6,12-Dideoxy, 3''-O-de-Me C35H63NO11 673.440111 NA MeJP NA NA +PJ015066 GTLKKK C30H59N9O8 673.4487 NA PeJP NA NA +HMDB07900 PC(14:1(9Z)/14:1(9Z)) C36H68NO8P 673.468262 NA HMDB2010 NA NA +HMDB08852 PE(14:0/P-18:1(11Z)) C37H72NO7P 673.504639 NA HMDB2010 NA NA +HMDB08853 PE(14:0/P-18:1(9Z)) C37H72NO7P 673.504639 NA HMDB2010 NA NA +HMDB08884 PE(14:1(9Z)/P-18:0) C37H72NO7P 673.504639 NA HMDB2010 NA NA +HMDB08982 PE(16:1(9Z)/P-16:0) C37H72NO7P 673.504639 NA HMDB2010 NA NA +HMDB11339 PE(P-16:0/16:1(9Z)) C37H72NO7P 673.504639 NA HMDB2010 NA NA +HMDB11369 PE(P-18:0/14:1(9Z)) C37H72NO7P 673.504639 NA HMDB2010 NA NA +HMDB11401 PE(P-18:1(11Z)/14:0) C37H72NO7P 673.504639 NA HMDB2010 NA NA +HMDB11434 PE(P-18:1(9Z)/14:0) C37H72NO7P 673.504639 NA HMDB2010 NA NA +HMDB10702 CerP(d18:1/20:0) C38H76NO6P 673.541016 NA HMDB2010 NA NA +MJ089906 Chamaeneric acid C28H18O20 674.039143 NA MeJP NA NA +FL3FACGSS001 Luteolin 7-sulfate-3'-rutinoside C27H30O18S 674.11528 - knapsack NA NA +MJ089907 3',4',5,7-Tetrahydroxyflavone; 3'-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-sulfate C27H30O18S 674.115284 NA MeJP NA NA +MJ089908 3,4',5,7-Tetrahydroxyflavone; 3-O-(Sulfoxyrutinoside) C27H30O18S 674.115284 NA MeJP NA NA +PJ015067 CCCCDE C21H34N6O11S4 674.1169 NA PeJP NA NA +PJ015068 SCCCEM C22H38N6O10S4 674.1533 NA PeJP NA NA +MJ089909 ?-Isonaphthocyclinone C35H30O14 674.163555 NA MeJP NA NA +MJ089910 ?-Naphthocyclinone C35H30O14 674.163555 NA MeJP NA NA +PJ015069 GCCDDY C25H34N6O12S2 674.1676 NA PeJP NA NA +PJ015070 PCCCCF C26H38N6O7S4 674.1685 NA PeJP NA NA +PJ015071 GCCMMM C23H42N6O7S5 674.1719 NA PeJP NA NA +MJ089911 Diphyllin; O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside] C32H34O16 674.184685 NA MeJP NA NA +MJ089912 Diphyllin; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C32H34O16 674.184685 NA MeJP NA NA +MJ089913 Ergochromes; Ergochrome DD C32H34O16 674.184685 NA MeJP NA NA +PJ015072 SPCCCY C26H38N6O9S3 674.1863 NA PeJP NA NA +PJ015073 STCCMM C23H42N6O9S4 674.1896 NA PeJP NA NA +PJ015074 GCDDEH C24H34N8O13S 674.1966 NA PeJP NA NA +MJ089914 Nallaflavanone C36H34O13 674.199941 NA MeJP NA NA +PJ015075 GSCDMY C26H38N6O11S2 674.204 NA PeJP NA NA +PJ015076 CDDHW C28H34N8O10S 674.2119 NA PeJP NA NA +PJ015077 SSDDDH C24H34N8O15 674.2144 NA PeJP NA NA +PJ015078 SPCCEH C25H38N8O10S2 674.2153 NA PeJP NA NA +MJ089915 Cryptophycin 4; 6',8'-Dichloro, 7R*,8R*-epoxide, O-de-Me C34H40Cl2N2O8 674.216171 NA MeJP NA NA +PJ015079 TCCYW C30H38N6O8S2 674.2193 NA PeJP NA NA +C12385 Premithramycin A2' C33H38O15 674.2211 NA KEGG NA NA +PJ015080 SSSCEY C26H38N6O13S 674.2218 NA PeJP NA NA +PJ015081 CQMMY C27H42N6O8S3 674.2226 NA PeJP NA NA +PJ015082 GACMMY C27H42N6O8S3 674.2227 NA PeJP NA NA +MJ089916 Glycobismine E C39H34N2O9 674.22643 NA MeJP NA NA +PJ015083 GCNNMH C24H38N10O9S2 674.2265 NA PeJP NA NA +PJ015084 GSDEMH C25H38N8O12S 674.233 NA PeJP NA NA +PJ015085 CCMRY C26H42N8O7S3 674.2339 NA PeJP NA NA +PJ015086 CNEFY C30H38N6O10S 674.237 NA PeJP NA NA +HMDB01081 (N-acetylneuraminosyl(a2-6)lactosamine) C25H42N2O19 674.238159 NA HMDB2010 NA NA +HMDB06581 3-Sialyl-N-acetyllactosamine C25H42N2O19 674.238159 NA HMDB2010 NA NA +HMDB06584 6-Sialyl-N-acetyllactosamine C25H42N2O19 674.238159 NA HMDB2010 NA NA +HMDB01081 (N-acetylneuraminosyl(alpha2-6)lactosamine) C25H42N2O19 674.23816 http://www.hmdb.ca/metabolites/HMDB01081 HMDB NA NA +HMDB06581 3-Sialyl-N-acetyllactosamine C25H42N2O19 674.23816 http://www.hmdb.ca/metabolites/HMDB06581 HMDB NA NA +HMDB06584 6-Sialyl-N-acetyllactosamine C25H42N2O19 674.23816 http://www.hmdb.ca/metabolites/HMDB06584 HMDB NA NA +HMDB01081 (N-acetylneuraminosyl(alpha2-6)lactosamine) C25H42N2O19 674.23816 HMDB01081 PFEM_hmdb_metabocards_official NA NA +HMDB06581 3-Sialyl-N-acetyllactosamine C25H42N2O19 674.23816 HMDB06581 PFEM_hmdb_metabocards_official NA NA +HMDB06584 6-Sialyl-N-acetyllactosamine C25H42N2O19 674.23816 HMDB06584 PFEM_hmdb_metabocards_official NA NA +MetaCyc04040 α-N-acetylneuraminyl-2,6-β-D-galactosyl-1,4-N-acetyl-β-D-glucosamine [] C25H42N2O19 674.238177 NA metacyc NA NA +C04886 alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D- C25H42N2O19 674.2382 NA KEGG NA NA +C04887 alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D- C28H45N2O22R 674.2382 NA KEGG NA NA +C04890 N-Acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D- C22H37N2O16R 674.2382 NA KEGG NA NA +C04891 N-Acetyl-beta-D-glucosaminyl-1,6-beta-D-galactosyl-1,4-N-acetyl-D- C22H37N2O16R 674.2382 NA KEGG NA NA +PJ015087 GPDEEE C26H38N6O15 674.2396 NA PeJP NA NA +PJ015088 GSSMMY C27H42N6O10S2 674.2404 NA PeJP NA NA +PJ015089 SSCNQH C24H38N10O11S 674.2442 NA PeJP NA NA +PJ015090 GGSSCQH C24H38N10O11S 674.2443 NA PeJP NA NA +MJ089917 Ergostane-2,3,6-triol, Tri-O-sulfate C28H50O12S3 674.246439 NA MeJP NA NA +MJ089918 Vincosamide; 6'-(3-Hydroxy-4-methoxycinnamoyl) C36H38N2O11 674.24756 NA MeJP NA NA +PJ015091 SDMHW C29H38N8O9S 674.2483 NA PeJP NA NA +PJ015092 SSSEEH C25H38N8O14 674.2508 NA PeJP NA NA +PJ015093 QEMMH C26H42N8O9S2 674.2516 NA PeJP NA NA +PJ015094 GAEMMH C26H42N8O9S2 674.2517 NA PeJP NA NA +PJ015095 GCFYW C34H38N6O7S 674.2523 NA PeJP NA NA +PJ015096 PDEEW C30H38N6O12 674.2548 NA PeJP NA NA +PJ015097 CQMFF C31H42N6O7S2 674.2557 NA PeJP NA NA +MJ089919 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1,9-Bis-(3-furancarbonyl), 2-(2-methylbutanoyl), 6,14-di-Ac C34H42O14 674.257456 NA MeJP NA NA +MJ089920 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 2,9-Bis(3-furancarbonyl), 1-(2-methylbutanoyl), 6,14-di-Ac C34H42O14 674.257456 NA MeJP NA NA +MJ089921 1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, Bis(3-furancarbonyl), 2-methylbutanoyl, di-Ac C34H42O14 674.257456 NA MeJP NA NA +MJ089922 Rohitukin; 2'-Hydroxy C34H42O14 674.257456 NA MeJP NA NA +PJ015098 SSSTMY C27H42N6O12S 674.2582 NA PeJP NA NA +PJ015099 CKMMY C28H46N6O7S3 674.259 NA PeJP NA NA +PJ015100 GSSSSNH C24H38N10O13 674.262 NA PeJP NA NA +PJ015101 CEMHR C25H42N10O8S2 674.2629 NA PeJP NA NA +PJ015102 GSPNDW C29H38N8O11 674.266 NA PeJP NA NA +MJ089923 Dolastatin 3; Homologue (R = -CH2CH3) C30H42N8O6S2 674.266872 NA MeJP NA NA +PJ015103 AMMHW C30H42N8O6S2 674.2669 NA PeJP NA NA +PJ015104 GTTEMH C26H42N8O11S 674.2694 NA PeJP NA NA +PJ015105 GSYYW C34H38N6O9 674.27 NA PeJP NA NA +PJ015106 NMHHH C27H38N12O7S 674.2707 NA PeJP NA NA +PJ015107 GGMHHH C27H38N12O7S 674.2708 NA PeJP NA NA +MJ089924 1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 11-Ketone, 1,3-dibenzoyl, 2,7-di-Ac C38H42O11 674.272712 NA MeJP NA NA +MJ089925 1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 3-Ketone, 1,11-dibenzoyl, 2,7-di-Ac C38H42O11 674.272712 NA MeJP NA NA +PJ015108 AQMYY C31H42N6O9S 674.2734 NA PeJP NA NA +PJ015109 APTEEE C27H42N6O14 674.2759 NA PeJP NA NA +PJ015110 APPEMM C28H46N6O9S2 674.2768 NA PeJP NA NA +PJ015111 NNNQW C28H38N10O10 674.2773 NA PeJP NA NA +MJ089926 Gardoside; 2'-O-[8-Hydroxy-2,6-dimethyl-2E-octenoyl-(?5)-?-D-apiofuranoside] C31H46O16 674.278585 NA MeJP NA NA +MJ089927 Inerminoside B C31H46O16 674.278585 NA MeJP NA NA +PJ015112 GPCNER C25H42N10O10S 674.2806 NA PeJP NA NA +PJ015113 GEHFW C33H38N8O8 674.2813 NA PeJP NA NA +PJ015114 TTMHW C30H42N8O8S 674.2846 NA PeJP NA NA +PJ015115 GGPQMW C30H42N8O8S 674.2847 NA PeJP NA NA +PJ015116 SSSSPPN C26H42N8O13 674.2871 NA PeJP NA NA +PJ015117 STTTEH C26H42N8O13 674.2872 NA PeJP NA NA +PJ015118 KEMMH C27H46N8O8S2 674.288 NA PeJP NA NA +PJ015119 GSTHHH C27H38N12O9 674.2885 NA PeJP NA NA +PJ015120 SDKYY C31H42N6O11 674.2912 NA PeJP NA NA +PJ015121 CKMFF C32H46N6O6S2 674.292 NA PeJP NA NA +C08786 Trichilin A C35H46O13 674.2938 NA KEGG NA NA +MJ089928 Trichilin B C35H46O13 674.293841 NA MeJP NA NA +PJ015122 GPLEEM C28H46N6O11S 674.2946 NA PeJP NA NA +PJ015123 PCNRW C29H42N10O7S 674.2959 NA PeJP NA NA +PJ015124 HFWW C37H38N8O5 674.2965 NA PeJP NA NA +PJ015125 NQEER C25H42N10O12 674.2984 NA PeJP NA NA +PJ015126 TMMHR C26H46N10O7S2 674.2993 NA PeJP NA NA +PJ015127 VNQEW C30H42N8O10 674.3024 NA PeJP NA NA +PJ015128 SSTLMH C27H46N8O10S 674.3058 NA PeJP NA NA +PJ015129 PPEFW C35H42N6O8 674.3064 NA PeJP NA NA +MJ089929 Azadirinin C39H46O10 674.309097 NA MeJP NA NA +MJ089930 Nimbolinin; 7-Cinnamoyl(E-), 1,3-di-Ac C39H46O10 674.309097 NA MeJP NA NA +PJ015130 NDDRR C24H42N12O11 674.3096 NA PeJP NA NA +PJ015131 GGGGGGASR C24H42N12O11 674.3097 NA PeJP NA NA +PJ015132 PLEMW C32H46N6O8S 674.3098 NA PeJP NA NA +PJ015133 GVLEEE C28H46N6O13 674.3123 NA PeJP NA NA +PJ015134 SPPLMM C29H50N6O8S2 674.3132 NA PeJP NA NA +PJ015135 GQERW C29H42N10O9 674.3136 NA PeJP NA NA +MJ089931 Argadin C29H42N10O9 674.313622 NA MeJP NA NA +PJ015136 GGAERW C29H42N10O9 674.3137 NA PeJP NA NA +PJ015137 GSPQMR C26H46N10O9S 674.317 NA PeJP NA NA +PJ015138 GVQWW C34H42N8O7 674.3177 NA PeJP NA NA +PJ015139 PNKMW C31H46N8O7S 674.321 NA PeJP NA NA +PJ015140 GGPKMW C31H46N8O7S 674.3211 NA PeJP NA NA +PJ015141 SSPQKE C27H46N8O12 674.3235 NA PeJP NA NA +PJ015142 LEEER C27H46N8O12 674.3236 NA PeJP NA NA +PJ015143 PPCCKK C28H50N8O7S2 674.3244 NA PeJP NA NA +PJ015144 PEHHR C28H42N12O8 674.3249 NA PeJP NA NA +PJ015145 VLEEW C32H46N6O10 674.3276 NA PeJP NA NA +PJ015146 GSPCRR C25H46N12O8S 674.3283 NA PeJP NA NA +MJ089932 PAPA-APEC C33H42N10O6 674.328879 NA MeJP NA NA +PJ015147 QRWW C33H42N10O6 674.3289 NA PeJP NA NA +MJ089933 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, Benzoyl, bis(2-methylbutanoyl), di-Ac C36H50O12 674.330227 NA MeJP NA NA +MJ089934 Euphorrepinol; 7,15-Ditigloyl, 3,5,14-tri-Ac C36H50O12 674.330227 NA MeJP NA NA +PJ015148 SPVLEM C29H50N6O10S 674.3309 NA PeJP NA NA +PJ015149 CLHFR C30H46N10O6S 674.3323 NA PeJP NA NA +PJ015150 NKEER C26H46N10O11 674.3348 NA PeJP NA NA +PJ015151 VNKEW C31H46N8O9 674.3388 NA PeJP NA NA +PJ015152 GPDKKM C28H50N8O9S 674.3422 NA PeJP NA NA +MJ089935 Drymarin B C36H46N6O7 674.342797 NA MeJP NA NA +PJ015153 PPLYW C36H46N6O7 674.3428 NA PeJP NA NA +PJ015154 SQERR C25H46N12O10 674.346 NA PeJP NA NA +PJ015155 APPLMF C33H50N6O7S 674.3462 NA PeJP NA NA +MJ089936 Pleiocorine C41H46N4O5 674.34682 NA MeJP NA NA +MJ089937 Pleiocraline C41H46N4O5 674.34682 NA MeJP NA NA +PJ015156 ATLLEE C29H50N6O12 674.3487 NA PeJP NA NA +PJ015157 APLLMM C30H54N6O7S2 674.3496 NA PeJP NA NA +PJ015158 GKERW C30H46N10O8 674.35 NA PeJP NA NA +PJ015159 GGAAPFR C30H46N10O8 674.3501 NA PeJP NA NA +PJ015160 GSPKMR C27H50N10O8S 674.3534 NA PeJP NA NA +PJ015161 GVKWW C35H46N8O6 674.3541 NA PeJP NA NA +PJ015162 LKMHF C32H50N8O6S 674.3574 NA PeJP NA NA +PJ015163 AAKKEE C28H50N8O11 674.3599 NA PeJP NA NA +PJ015164 GTRRW C29H46N12O7 674.3613 NA PeJP NA NA +PJ015165 PPTTLF C33H50N6O9 674.3639 NA PeJP NA NA +PJ015166 SPPVLY C33H50N6O9 674.364 NA PeJP NA NA +PJ015167 VNMRR C26H50N12O7S 674.3646 NA PeJP NA NA +PJ015168 GGVMRR C26H50N12O7S 674.3647 NA PeJP NA NA +PJ015169 KRWW C34H46N10O5 674.3653 NA PeJP NA NA +C08935 Cimicifugoside C37H54O11 674.3666 NA KEGG NA NA +MJ089938 2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,22-dione, 16-O-(2-O-Acetyl-?-L-arabinopyranoside) C37H54O11 674.366612 NA MeJP NA NA +MJ089939 Acteol; 7,8-Didehydro, 12-Ac, 3-O-?-D-xylopyranoside C37H54O11 674.366612 NA MeJP NA NA +MJ089940 Reveromycin C C37H54O11 674.366612 NA MeJP NA NA +MJ089941 Reveromycin D C37H54O11 674.366612 NA MeJP NA NA +PJ015170 GLLLEM C30H54N6O9S 674.3673 NA PeJP NA NA +PJ015171 DKKER C27H50N10O10 674.3712 NA PeJP NA NA +PJ015172 VDKKW C32H50N8O8 674.3752 NA PeJP NA NA +PJ015173 GMRRR C25H50N14O6S 674.3759 NA PeJP NA NA +PJ015174 APTKKM C29H54N8O8S 674.3786 NA PeJP NA NA +MJ089942 Hymenocardine C37H50N6O6 674.379183 NA MeJP NA NA +C10004 Hymenocardine C37H50N6O6 674.3792 NA KEGG NA NA +PJ015175 PLLFW C37H50N6O6 674.3792 NA PeJP NA NA +PJ015176 SKERR C26H50N12O9 674.3824 NA PeJP NA NA +PJ015177 LLLMW C34H54N6O6S 674.3826 NA PeJP NA NA +MJ089943 Ervahanine A C42H50N4O4 674.383206 NA MeJP NA NA +MJ089944 Ervahanine B C42H50N4O4 674.383206 NA MeJP NA NA +MJ089945 Ervahanine C C42H50N4O4 674.383206 NA MeJP NA NA +PJ015178 STLLLE C30H54N6O11 674.3851 NA PeJP NA NA +PJ015179 SVKRW C31H50N10O7 674.3864 NA PeJP NA NA +MJ089946 7,11-Dihydroxy-4,6,8,10,12,14-hexamethyl-4,8,12-hexadecatrien-3-one; Di-O-?-D-mannopyranoside C34H58O13 674.387741 NA MeJP NA NA +MJ089947 Furostane-1,2,3,4,5,22,26-heptol, 22-Me ether, 26-O-?-D-glucopyranoside C34H58O13 674.387741 NA MeJP NA NA +PJ015180 LQKMR C28H54N10O7S 674.3898 NA PeJP NA NA +PJ015181 STRRR C25H50N14O8 674.3936 NA PeJP NA NA +PJ015182 GTLKKE C29H54N8O10 674.3963 NA PeJP NA NA +PJ015183 LLHHR C30H50N12O6 674.3977 NA PeJP NA NA +PJ015184 GPLLLY C34H54N6O8 674.4003 NA PeJP NA NA +PJ015185 CLKRR C27H54N12O6S 674.401 NA PeJP NA NA +MJ089948 12-Oleanene-3,16,21,22,23,28-hexol, 3,21,22,28-Tetra-Ac C38H58O10 674.402998 NA MeJP NA NA +MJ089949 Anhydrocrustulinol; 2-O-(3-Hydroxy-3-methylglutaroyl), 3-Ac C38H58O10 674.402998 NA MeJP NA NA +PJ015186 SVLLLM C31H58N6O8S 674.4037 NA PeJP NA NA +PJ015187 ASNKKK C28H54N10O9 674.4075 NA PeJP NA NA +PJ015188 GTTLKR C28H54N10O9 674.4076 NA PeJP NA NA +PJ015189 TLKKW C33H54N8O7 674.4116 NA PeJP NA NA +PJ015190 ACLLKK C30H58N8O7S 674.4149 NA PeJP NA NA +PJ015191 GVLKKM C30H58N8O7S 674.415 NA PeJP NA NA +PJ015192 PKKFR C32H54N10O6 674.4228 NA PeJP NA NA +MJ089950 Indicoside A C35H62O12 674.424127 NA MeJP NA NA +PJ015193 LKKMR C29H58N10O6S 674.4262 NA PeJP NA NA +PJ015194 SSLLKK C30H58N8O9 674.4327 NA PeJP NA NA +C11295 N-Acetyl-leu-leu-leu-leu-tyr-amide C35H58N6O7 674.4367 NA KEGG NA NA +PJ015195 GLLLLF C35H58N6O7 674.4367 NA PeJP NA NA +MJ089951 12-Oleanene-3,15,16,21,22,28-hexol, 21-(3-Methylbutanoyl), 15,22-di-Ac C39H62O9 674.439383 NA MeJP NA NA +PJ015196 GSKKKK C29H58N10O8 674.4439 NA PeJP NA NA +MJ089952 12-Oleanene-3,16,21,22,23,28-hexol, 21,22-Bis(2-methylbutanoyl) C40H66O8 674.475769 NA MeJP NA NA +HMDB07858 PA(16:0/18:1(11Z)) C37H71O8P 674.488647 NA HMDB2010 NA NA +HMDB07859 PA(16:0/18:1(9Z)) C37H71O8P 674.488647 NA HMDB2010 NA NA +MetaCyc04041 1-18:1-2-16:0-sn-glycerol-3-phosphate [] C37H71O8P1 674.488656 NA metacyc NA NA +C13889 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate C37H71O8P 674.4887 NA KEGG NA NA +MJ089953 1,3,29,31-Dotriacontanetetrol, 29-Ketone, 1-O-?-D-glucopyranoside C38H74O9 674.533283 NA MeJP NA NA +MJ089954 1,3,29,31-Dotriacontanetetrol, 29-Ketone, 1-O-?-D-mannopyranoside C38H74O9 674.533283 NA MeJP NA NA +HMDB12097 SM(d18:1/14:0) C37H75N2O6P 674.536255 NA HMDB2010 NA NA +HMDB07204 DG(18:1(11Z)/22:2(13Z,16Z)/0:0) C43H78O5 674.5849 NA HMDB2010 NA NA +HMDB07233 DG(18:1(9Z)/22:2(13Z,16Z)/0:0) C43H78O5 674.5849 NA HMDB2010 NA NA +HMDB07261 DG(18:2(9Z,12Z)/22:1(13Z)/0:0) C43H78O5 674.5849 NA HMDB2010 NA NA +HMDB07289 DG(18:3(6Z,9Z,12Z)/22:0/0:0) C43H78O5 674.5849 NA HMDB2010 NA NA +HMDB07318 DG(18:3(9Z,12Z,15Z)/22:0/0:0) C43H78O5 674.5849 NA HMDB2010 NA NA +HMDB07371 DG(20:0/20:3(5Z,8Z,11Z)/0:0) C43H78O5 674.5849 NA HMDB2010 NA NA +HMDB07372 DG(20:0/20:3(8Z,11Z,14Z)/0:0) C43H78O5 674.5849 NA HMDB2010 NA NA +HMDB07399 DG(20:1(11Z)/20:2(11Z,14Z)/0:0) C43H78O5 674.5849 NA HMDB2010 NA NA +HMDB07427 DG(20:2(11Z,14Z)/20:1(11Z)/0:0) C43H78O5 674.5849 NA HMDB2010 NA NA +HMDB07455 DG(20:3(5Z,8Z,11Z)/20:0/0:0) C43H78O5 674.5849 NA HMDB2010 NA NA +HMDB07484 DG(20:3(8Z,11Z,14Z)/20:0/0:0) C43H78O5 674.5849 NA HMDB2010 NA NA +HMDB07597 DG(22:0/18:3(6Z,9Z,12Z)/0:0) C43H78O5 674.5849 NA HMDB2010 NA NA +HMDB07598 DG(22:0/18:3(9Z,12Z,15Z)/0:0) C43H78O5 674.5849 NA HMDB2010 NA NA +HMDB07625 DG(22:1(13Z)/18:2(9Z,12Z)/0:0) C43H78O5 674.5849 NA HMDB2010 NA NA +HMDB07652 DG(22:2(13Z,16Z)/18:1(11Z)/0:0) C43H78O5 674.5849 NA HMDB2010 NA NA +HMDB07653 DG(22:2(13Z,16Z)/18:1(9Z)/0:0) C43H78O5 674.5849 NA HMDB2010 NA NA +HMDB06736 CE(20:3(8Z,11Z,14Z)) C47H78O2 674.600159 NA HMDB2010 NA NA +HMDB10373 CE(20:3(5Z,8Z,11Z)) C47H78O2 674.600159 NA HMDB2010 NA NA +HMDB06736 Cholesteryl eicosatrienoic acid C47H78O2 674.60016 http://www.hmdb.ca/metabolites/HMDB06736 HMDB NA NA +HMDB06736 Cholesteryl eicosatrienoic acid C47H78O2 674.60016 HMDB06736 PFEM_hmdb_metabocards_official NA NA +MJ089955 24-Hydroxy-10-tetracosenoic acid, (Z)-7-Heneicosenyl ester C45H86O3 674.657696 NA MeJP NA NA +MJ089956 26-Heptacosene-9,10-diol; 9-(9-Octadecenoyl)(Z-) C45H86O3 674.657696 NA MeJP NA NA +MJ089957 Octatetracontane C48H98 674.766853 NA MeJP NA NA +MJ089958 Antibiotic S 3907C4B C25H29N3O15S2 675.104008 NA MeJP NA NA +PJ015197 CCCCNM C21H37N7O8S5 675.1307 NA PeJP NA NA +PJ015198 GGCCCCM C21H37N7O8S5 675.1308 NA PeJP NA NA +PJ015199 GSTCCCC C21H37N7O10S4 675.1485 NA PeJP NA NA +PJ015200 SSSSCCC C21H37N7O12S3 675.1663 NA PeJP NA NA +PJ015201 GCCCQY C25H37N7O9S3 675.1815 NA PeJP NA NA +PJ015202 PCCCNH C24H37N9O8S3 675.1928 NA PeJP NA NA +PJ015203 SSCCNY C25H37N7O11S2 675.1993 NA PeJP NA NA +PJ015204 CEMMY C27H41N5O9S3 675.2067 NA PeJP NA NA +PJ015205 GCNDMH C24H37N9O10S2 675.2105 NA PeJP NA NA +PJ015206 GCCCKY C26H41N7O8S3 675.2179 NA PeJP NA NA +PJ015207 CDEFY C30H37N5O11S 675.221 NA PeJP NA NA +PJ015208 CCQHW C28H37N9O7S2 675.2258 NA PeJP NA NA +PJ015209 SSCNEH C24H37N9O12S 675.2283 NA PeJP NA NA +PJ015210 CNNYY C29H37N7O10S 675.2323 NA PeJP NA NA +PJ015211 SPNDDE C25H37N7O15 675.2348 NA PeJP NA NA +PJ015212 EEMMH C26H41N7O10S2 675.2357 NA PeJP NA NA +PJ015213 SDEYY C30H37N5O13 675.2388 NA PeJP NA NA +PJ015214 PCMYY C31H41N5O8S2 675.2397 NA PeJP NA NA +PJ015215 TMMMY C28H45N5O8S3 675.243 NA PeJP NA NA +PJ015216 GSSCHW C28H37N9O9S 675.2435 NA PeJP NA NA +PJ015217 GSSSSDH C24H37N9O14 675.246 NA PeJP NA NA +PJ015218 GGGGGGGEE C24H37N9O14 675.2461 NA PeJP NA NA +PJ015219 GSNMMH C25H41N9O9S2 675.2469 NA PeJP NA NA +PJ015220 DEEHF C29H37N7O12 675.25 NA PeJP NA NA +PJ015221 GSPDDW C29H37N7O12 675.2501 NA PeJP NA NA +PJ015222 APPCCW C30H41N7O7S2 675.2509 NA PeJP NA NA +MJ089959 Cephabacin F; Cephabacin F7 C26H41N7O12S 675.25339 NA MeJP NA NA +PJ015223 GPNEEM C26H41N7O12S 675.2534 NA PeJP NA NA +PJ015224 DMHHH C27H37N11O8S 675.2548 NA PeJP NA NA +PJ015225 SNNNNN C23H37N11O13 675.2572 NA PeJP NA NA +PJ015226 GGSNNNN C23H37N11O13 675.2573 NA PeJP NA NA +PJ015227 AEMYY C31H41N5O10S 675.2574 NA PeJP NA NA +PJ015228 GTCCHR C24H41N11O8S2 675.2581 NA PeJP NA NA +MJ089960 Lewis b blood group tetrasaccharide C26H45NO19 675.258578 NA MeJP NA NA +PJ015229 NNNEW C28H37N9O11 675.2613 NA PeJP NA NA +PJ015230 CCKHW C29H41N9O6S2 675.2621 NA PeJP NA NA +PJ015231 SSSQMH C25H41N9O11S 675.2646 NA PeJP NA NA +PJ015232 GPCDER C25H41N9O11S 675.2647 NA PeJP NA NA +PJ015233 PNEMW C30H41N7O9S 675.2687 NA PeJP NA NA +PJ015234 AAQEEE C26H41N7O14 675.2712 NA PeJP NA NA +PJ015235 SPPNMM C27H45N7O9S2 675.272 NA PeJP NA NA +PJ015236 GGSPPMM C27H45N7O9S2 675.2721 NA PeJP NA NA +PJ015237 GPNDHH C27H37N11O10 675.2725 NA PeJP NA NA +PJ015238 PCFFY C35H41N5O7S 675.2727 NA PeJP NA NA +PJ015239 TTEYY C31H41N5O12 675.2752 NA PeJP NA NA +PJ015240 SSSCHR C24H41N11O10S 675.2759 NA PeJP NA NA +PJ015241 CLMFY C32H45N5O7S2 675.2761 NA PeJP NA NA +PJ015242 GNNWW C32H37N9O8 675.2765 NA PeJP NA NA +PJ015243 GGGGGWW C32H37N9O8 675.2766 NA PeJP NA NA +PJ015244 PCDRW C29H41N9O8S 675.2799 NA PeJP NA NA +PJ015245 NEEER C25H41N9O13 675.2824 NA PeJP NA NA +PJ015246 PPTCCR C26H45N9O8S2 675.2833 NA PeJP NA NA +PJ015247 GPMWW C34H41N7O6S 675.2839 NA PeJP NA NA +PJ015248 VNEEW C30H41N7O11 675.2864 NA PeJP NA NA +PJ015249 GPDKEM C27H45N7O11S 675.2898 NA PeJP NA NA +PJ015250 APYYY C35H41N5O9 675.2904 NA PeJP NA NA +PJ015251 AEFFY C35H41N5O9 675.2905 NA PeJP NA NA +PJ015252 CNHFR C28H41N11O7S 675.2911 NA PeJP NA NA +PJ015253 GGCHFR C28H41N11O7S 675.2912 NA PeJP NA NA +PJ015254 DDDRR C24H41N11O12 675.2936 NA PeJP NA NA +PJ015255 GGGSNER C24H41N11O12 675.2937 NA PeJP NA NA +PJ015256 SLMYY C32H45N5O9S 675.2938 NA PeJP NA NA +PJ015257 SQQQW C29H41N9O10 675.2976 NA PeJP NA NA +MJ089961 Antibiotic FTD 0668 C29H41N9O10 675.297638 NA MeJP NA NA +MJ089962 Argifin C29H41N9O10 675.297638 NA MeJP NA NA +PJ015258 GEERW C29H41N9O10 675.2977 NA PeJP NA NA +PJ015259 GSPEMR C26H45N9O10S 675.301 NA PeJP NA NA +PJ015260 GGGGGLQM C26H45N9O10S 675.3011 NA PeJP NA NA +MJ089963 Stellarin A C34H41N7O8 675.301661 NA MeJP NA NA +MJ089964 Yunnanin A C34H41N7O8 675.301661 NA MeJP NA NA +PJ015261 GVEWW C34H41N7O8 675.3017 NA PeJP NA NA +PJ015262 PDKMW C31H45N7O8S 675.3051 NA PeJP NA NA +PJ015263 SSSPPTT C27H45N7O13 675.3075 NA PeJP NA NA +PJ015264 AAKEEE C27H45N7O13 675.3076 NA PeJP NA NA +PJ015265 GPLQMM C28H49N7O8S2 675.3084 NA PeJP NA NA +PJ015266 SNNRW C28H41N11O9 675.3089 NA PeJP NA NA +PJ015267 CLFFF C36H45N5O6S 675.3091 NA PeJP NA NA +8279 Antioxidative peptide VPNSYP 675.3099 NA ;SYN:(+-)-5-Hydroxytryptophan; (S)-5-Hydroxytryptophan; 5-hydroxy-L-Tryptophan; 5-Hydroxy-tryptophan; 5-Hydroxyl-L-tryptophan; 5-Hydroxytryptophan; 5-Hydroxytryptophan L form; 5-Hydroxytryptophan L-form; Cincofarm; Hydroxytryptophan; Levothym; Levotinine; Oxitriptan; Oxyfan; Oxytryptophan; Pretonine; Quietim; Serotonyl; Telesol; Triptene; L-5-HydroxytryptophanH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ015268 NQQMR C25H45N11O9S 675.3123 NA PeJP NA NA +PJ015269 ERWW C33H41N9O7 675.3129 NA PeJP NA NA +PJ015270 SPMRW C30H45N9O7S 675.3163 NA PeJP NA NA +PJ015271 VWWW C38H41N7O5 675.3169 NA PeJP NA NA +PJ015272 DKEER C26H45N9O12 675.3188 NA PeJP NA NA +PJ015273 AAPMMR C27H49N9O7S2 675.3197 NA PeJP NA NA +PJ015274 VDKEW C31H45N7O10 675.3228 NA PeJP NA NA +PJ015275 CNQRR C24H45N13O8S 675.3235 NA PeJP NA NA +PJ015276 VHHHF C32H41N11O6 675.3242 NA PeJP NA NA +MJ089965 4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-O-(4-methoxybenzoyl), 8-Ac C35H49NO12 675.325476 NA MeJP NA NA +MJ089966 Yunaconitine; 2?-Hydroxy C35H49NO12 675.325476 NA MeJP NA NA +C08692 Jesaconitine C35H49NO12 675.3255 NA KEGG NA NA +PJ015277 APTKEM C28H49N7O10S 675.3262 NA PeJP NA NA +PJ015278 ALFYY C36H45N5O8 675.3268 NA PeJP NA NA +PJ015279 SEERR C25H45N11O11 675.33 NA PeJP NA NA +PJ015280 SVERW C30H45N9O9 675.334 NA PeJP NA NA +PJ015281 GGTQKW C30H45N9O9 675.3341 NA PeJP NA NA +PJ015282 LQEMR C27H49N9O9S 675.3374 NA PeJP NA NA +PJ015283 ATLWW C35H45N7O7 675.3381 NA PeJP NA NA +PJ015284 GSSNRR C24H45N13O10 675.3413 NA PeJP NA NA +PJ015285 VLQMW C32H49N7O7S 675.3414 NA PeJP NA NA +PJ015286 GGLLMW C32H49N7O7S 675.3415 NA PeJP NA NA +PJ015287 ASLKEE C28H49N7O12 675.3439 NA PeJP NA NA +PJ015288 GTLKEE C28H49N7O12 675.344 NA PeJP NA NA +PJ015289 GPLKMM C29H53N7O7S2 675.3448 NA PeJP NA NA +PJ015290 GPTKHH C29H45N11O8 675.3453 NA PeJP NA NA +PJ015291 NQKMR C26H49N11O8S 675.3486 NA PeJP NA NA +PJ015292 VDMRR C26H49N11O8S 675.3487 NA PeJP NA NA +PJ015293 APFRW C34H45N9O6 675.3493 NA PeJP NA NA +PJ015294 ALMRW C31H49N9O6S 675.3527 NA PeJP NA NA +PJ015295 GTTLER C27H49N9O11 675.3552 NA PeJP NA NA +PJ015296 VQHHR C28H45N13O7 675.3565 NA PeJP NA NA +PJ015297 TLKEW C32H49N7O9 675.3592 NA PeJP NA NA +PJ015298 CNKRR C25H49N13O7S 675.3599 NA PeJP NA NA +MJ089967 4-Methylaconitane-1,3,6,8,13,14,16,18-octol, O8-Et, O1,O6,O16,O18-tetra-Me, N-Et, 14-O-(3,4-dimethoxybenzoyl) C36H53NO11 675.361861 NA MeJP NA NA +MJ089968 Ganefromycin ?1; 13-Me ether C36H53NO11 675.361861 NA MeJP NA NA +PJ015299 GVLKEM C29H53N7O9S 675.3626 NA PeJP NA NA +PJ015300 GSTQKR C26H49N11O10 675.3664 NA PeJP NA NA +PJ015301 AHHRR C27H45N15O6 675.3678 NA PeJP NA NA +PJ015302 TTLRW C31H49N9O8 675.3704 NA PeJP NA NA +PJ015303 GGPPVLH C31H49N9O8 675.3705 NA PeJP NA NA +PJ015304 LKEMR C28H53N9O8S 675.3738 NA PeJP NA NA +PJ015305 PVKFW C36H49N7O6 675.3745 NA PeJP NA NA +MJ089969 Stevastelin C3; 13-Deoxy, 12,13-didehydro, 14-sulfate C32H57N3O10S 675.376465 NA MeJP NA NA +PJ015306 VLKMW C33H53N7O6S 675.3778 NA PeJP NA NA +PJ015307 SSLLKE C29H53N7O11 675.3803 NA PeJP NA NA +PJ015308 PTFRR C30H49N11O7 675.3817 NA PeJP NA NA +MJ089970 Fumonisin C1; 4,9-Dideoxy C33H57NO13 675.38299 NA MeJP NA NA +PJ015309 TLMRR C27H53N11O7S 675.385 NA PeJP NA NA +PJ015310 GGKKMR C27H53N11O7S 675.3851 NA PeJP NA NA +PJ015311 SSTLLR C28H53N9O10 675.3916 NA PeJP NA NA +PJ015312 VKHHR C29H49N13O6 675.3929 NA PeJP NA NA +PJ015313 GPVLKY C33H53N7O8 675.3956 NA PeJP NA NA +MJ089971 Antascomicin; Antascomicin B C37H57NO10 675.398247 NA MeJP NA NA +MJ089972 Antascomicin; Antascomicin E C37H57NO10 675.398247 NA MeJP NA NA +PJ015314 ATLLKM C30H57N7O8S 675.399 NA PeJP NA NA +PJ015315 GSTKKR C27H53N11O9 675.4028 NA PeJP NA NA +PJ015316 SKKKW C32H53N9O7 675.4068 NA PeJP NA NA +PJ015317 AAKKKM C29H57N9O7S 675.4102 NA PeJP NA NA +HMDB12342 PS(14:1(9Z)/14:1(9Z)) C34H62NO10P 675.411133 NA HMDB2010 NA NA +PJ015318 TTTLLK C30H57N7O10 675.4167 NA PeJP NA NA +PJ015319 VVFRR C31H53N11O6 675.4181 NA PeJP NA NA +PJ015320 ATTKKK C29H57N9O9 675.4279 NA PeJP NA NA +PJ015321 GVLLKF C34H57N7O7 675.432 NA PeJP NA NA +MJ089973 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-(2-O-Acetamido-2-deoxy-?-D-glucopyranoside) C38H61NO9 675.434632 NA MeJP NA NA +PJ015322 LLKFR C33H57N9O6 675.4432 NA PeJP NA NA +HMDB07867 PC(14:0/14:1(9Z)) C36H70NO8P 675.483887 NA HMDB2010 NA NA +HMDB07899 PC(14:1(9Z)/14:0) C36H70NO8P 675.483887 NA HMDB2010 NA NA +HMDB08891 PE(15:0/16:1(9Z)) C36H70NO8P 675.483887 NA HMDB2010 NA NA +HMDB08955 PE(16:1(9Z)/15:0) C36H70NO8P 675.483887 NA HMDB2010 NA NA +MJ089974 Acidissiminol; 6',7'-Epoxide, O-octadecanoyl C43H65NO5 675.486274 NA MeJP NA NA +MJ089975 Severine; O-Octadecanoyl C43H65NO5 675.486274 NA MeJP NA NA +HMDB08851 PE(14:0/P-18:0) C37H74NO7P 675.520264 NA HMDB2010 NA NA +HMDB08949 PE(16:0/P-16:0) C37H74NO7P 675.520264 NA HMDB2010 NA NA +HMDB11158 PE(P-16:0e/16:0) C37H74NO7P 675.520264 NA HMDB2010 NA NA +HMDB11368 PE(P-18:0/14:0) C37H74NO7P 675.520264 NA HMDB2010 NA NA +EUR1054 SM(d18:1/14:0) monoisotopic mass C37H76N2O6P 675.544101 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1061 SM(d18:1/15:0) [M-H-CH3]- C38H78N2O6P 675.544101 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1054 SM(d18:1/14:0) monoisotopic mass C37H76N2O6P 675.544101 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1061 SM(d18:1/15:0) [M-H-CH3]- C38H78N2O6P 675.544101 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1054 SM(d18:1/14:0) monoisotopic mass C37H76N2O6P 675.544101 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1061 SM(d18:1/15:0) [M-H-CH3]- C38H78N2O6P 675.544101 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1054 SM(d18:1/14:0) monoisotopic mass C37H76N2O6P 675.544101 masses lipides attendues Inhousejuil11 NA NA +EUR1061 SM(d18:1/15:0) [M-H-CH3]- C38H78N2O6P 675.544101 masses lipides attendues Inhousejuil11 NA NA +HMDB04954 Ceramide (d18:1/26:1(17Z)) C44H85NO3 675.65295 http://www.hmdb.ca/metabolites/HMDB04954 HMDB NA NA +HMDB04954 Ceramide (d18:1/26:1(17Z)) C44H85NO3 675.65295 HMDB04954 PFEM_hmdb_metabocards_official NA NA +HMDB04954 Ceramide (d18:1/26:1(17Z)) C44H85NO3 675.652954 NA HMDB2010 NA NA +MJ089976 Chartelline A C20H13Br4ClN4O 675.751139 NA MeJP NA NA +3871 vespa-like peptide from R, Erythraea FLPILGKILGGLL~ 675.9405 MH2+ Inhouse_peptide NA peptide +PJ015323 CCCCDM C21H36N6O9S5 676.1148 NA PeJP NA NA +HMDB01312 Diadenosine diphosphate C20H26N10O13P2 676.115601 NA HMDB2010 NA NA +MJ089977 Quinic acid, 3,4,5-Tris(3,4,5-trihydroxybenzoyl), Et ester C30H28O18 676.127564 NA MeJP NA NA +PJ015324 SCCCMM C22H40N6O8S5 676.1511 NA PeJP NA NA +MJ089978 3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, 4-O-?-D-Glucopyranoside, 9'-(shikim-5-yl) ester C31H32O17 676.163949 NA MeJP NA NA +PJ015325 GCCCEY C25H36N6O10S3 676.1655 NA PeJP NA NA +PJ015326 PCCCDH C24H36N8O9S3 676.1768 NA PeJP NA NA +MJ089979 ?-Naphthocyclinone C35H32O14 676.179205 NA MeJP NA NA +PJ015327 CCCYW C29H36N6O7S3 676.1808 NA PeJP NA NA +PJ015328 SSCCDY C25H36N6O12S2 676.1833 NA PeJP NA NA +PJ015329 ACCCMF C26H40N6O7S4 676.1842 NA PeJP NA NA +PJ015330 GCDDMH C24H36N8O11S2 676.1945 NA PeJP NA NA +MJ089980 Rubroside G C33H38Cl2N2O9 676.195436 NA MeJP NA NA +MJ089981 Elloramycin F C32H36O16 676.200335 NA MeJP NA NA +MJ089982 Sucrose; 3',4-Bis-O-(4-hydroxycinnamoyl), 2-Ac C32H36O16 676.200335 NA MeJP NA NA +MJ089983 Sucrose; 3',4-Bis-O-(4-hydroxycinnamoyl), 3-Ac C32H36O16 676.200335 NA MeJP NA NA +PJ015331 GTCCMY C26H40N6O9S3 676.2019 NA PeJP NA NA +PJ015332 SCCNNH C23H36N10O10S2 676.2058 NA PeJP NA NA +PJ015333 CCEHW C28H36N8O8S2 676.2098 NA PeJP NA NA +PJ015334 SSCDEH C24H36N8O13S 676.2123 NA PeJP NA NA +PJ015335 SPCCMH C25H40N8O8S3 676.2131 NA PeJP NA NA +PJ015336 CNDYY C29H36N6O11S 676.2163 NA PeJP NA NA +PJ015337 SPDDDE C25H36N6O16 676.2188 NA PeJP NA NA +PJ015338 SSSCMY C26H40N6O11S2 676.2197 NA PeJP NA NA +MJ089984 Brucein Q C29H40O18 676.221464 NA MeJP NA NA +MJ089985 Mycothiol C27H40N4O14S 676.226172 NA MeJP NA NA +MetaCyc04042 mycothiol-monobromobimane conjugate [MSmB;] C27H40N4O14S1 676.226173 NA metacyc NA NA +PJ015339 GNNDEE C24H36N8O15 676.23 NA PeJP NA NA +PJ015340 GGGNDEE C24H36N8O15 676.2301 NA PeJP NA NA +MJ089986 Artonin D C40H36O10 676.230847 NA MeJP NA NA +MJ089987 Brosimone A C40H36O10 676.230847 NA MeJP NA NA +PJ015341 GSDMMH C25H40N8O10S2 676.2309 NA PeJP NA NA +PJ015342 CNMFY C30H40N6O8S2 676.2349 NA PeJP NA NA +C17555 Icariin C33H40O15 676.2367 NA KEGG NA NA +MJ089988 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-?-L-rhamnopyranoside, 7-O-?-D-glucopyranoside C33H40O15 676.23672 NA MeJP NA NA +MJ089989 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C33H40O15 676.23672 NA MeJP NA NA +MJ089990 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C33H40O15 676.23672 NA MeJP NA NA +MJ089991 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-?-L-rhamnopyranoside, 7-O-?-D-glucopyranoside C33H40O15 676.23672 NA MeJP NA NA +MJ089992 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[2-Methylbutanoyl-(?3)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C33H40O15 676.23672 NA MeJP NA NA +FL3FABGS0010 Acacetin 7-[2'''-(2-methylbutyryl)rutinoside] C33H40O15 676.23672 63947-68-2 knapsack NA NA +FL3FABGS0011 Acacetin 7-[3'''-(2-methylbutyryl)rutinoside] C33H40O15 676.23672 63947-69-3 knapsack NA NA +FL5FABGI0004 Sagittatoside A C33H40O15 676.23672 118525-35-2 knapsack NA NA +FL5FABGI0007 Icariin C33H40O15 676.23672 489-32-7 knapsack NA NA +PJ015343 GPDEEM C26H40N6O13S 676.2374 NA PeJP NA NA +PJ015344 SNNNND C23H36N10O14 676.2413 NA PeJP NA NA +PJ015345 NNDEW C28H36N8O12 676.2453 NA PeJP NA NA +PJ015346 TCMHW C29H40N8O7S2 676.2462 NA PeJP NA NA +MJ089993 Vincosamide; 10-Hydroxy, 10-O-?-D-glucopyranoside C32H40N2O14 676.247953 NA MeJP NA NA +PJ015347 SSSEMH C25H40N8O12S 676.2487 NA PeJP NA NA +PJ015348 QMMMH C26H44N8O7S3 676.2495 NA PeJP NA NA +PJ015349 GSCHHH C26H36N12O8S 676.25 NA PeJP NA NA +MJ089994 3',4',5',7,8-Pentahydroxyflavan(5?5)-3',4',5',7,8-pentahydroxyflavan, 3',3''',4',4''',5''',7,7''-Hepta-Me ether C37H40O12 676.251976 NA MeJP NA NA +PJ015350 PDEMW C30H40N6O10S 676.2527 NA PeJP NA NA +C12954 Dilazep dihydrochloride C31H44N2O10 676.253 NA KEGG NA NA +C12955 Transferred to D01505 C31H44N2O10 676.253 NA KEGG NA NA +C12956 Transferred to D01506 C31H44N2O10 676.253 NA KEGG NA NA +C12957 Transferred to D01507 C31H44N2O10 676.253 NA KEGG NA NA +PJ015351 AAEEEE C26H40N6O15 676.2552 NA PeJP NA NA +PJ015352 SPPDMM C27H44N6O10S2 676.2561 NA PeJP NA NA +PJ015353 GPDDHH C27H36N10O11 676.2565 NA PeJP NA NA +PJ015354 GNNNQM C24H40N10O11S 676.2599 NA PeJP NA NA +PJ015355 GNDWW C32H36N8O9 676.2606 NA PeJP NA NA +PJ015356 CMMHR C25H44N10O6S3 676.2608 NA PeJP NA NA +PJ015357 GSPCQW C29H40N8O9S 676.2639 NA PeJP NA NA +MJ089995 Prodeconium(2+); Dibromide C28H58Br2N2O6 676.266162 NA MeJP NA NA +PJ015358 DEEER C25H40N8O14 676.2664 NA PeJP NA NA +MJ089996 Ingenol; 20-Deoxy, 13,16-bis(benzoyloxy), 3-benzoyl C41H40O9 676.267232 NA MeJP NA NA +PJ015359 GTTMMH C26H44N8O9S2 676.2673 NA PeJP NA NA +PJ015360 CNFFF C34H40N6O7S 676.2679 NA PeJP NA NA +PJ015361 GGCFFF C34H40N6O7S 676.268 NA PeJP NA NA +PJ015362 LDDEW C30H40N6O12 676.2704 NA PeJP NA NA +PJ015363 VDEEW C30H40N6O12 676.2705 NA PeJP NA NA +PJ015364 GCNNNR C23H40N12O10S 676.2711 NA PeJP NA NA +PJ015365 GGGGGCNR C23H40N12O10S 676.2712 NA PeJP NA NA +MJ089997 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 14-(2-methylpropanoyl), 1,2,6,8-tetra-Ac C34H44O14 676.273106 NA MeJP NA NA +MJ089998 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 7-O-?-D-xylopyranoside, 4-Ac C34H44O14 676.273106 NA MeJP NA NA +MJ089999 Atomasin A; 30-Deacyl, 30-propanoyl C34H44O14 676.273106 NA MeJP NA NA +MJ090000 Azadirachtin D C34H44O14 676.273106 NA MeJP NA NA +MJ090001 Meliacarpinin; 11-Methoxy, 1-(2-methyl-2-propenoyl), 3-Ac C34H44O14 676.273106 NA MeJP NA NA +MJ090002 Taccalonolide I; 5?-Hydroxy C34H44O14 676.273106 NA MeJP NA NA +PJ015366 APTEEM C27H44N6O12S 676.2738 NA PeJP NA NA +PJ015367 APPMMM C28H48N6O7S3 676.2747 NA PeJP NA NA +PJ015368 CDHFR C28H40N10O8S 676.2752 NA PeJP NA NA +PJ015369 SSNNQQ C24H40N10O13 676.2776 NA PeJP NA NA +PJ015370 GSNDER C24H40N10O13 676.2777 NA PeJP NA NA +PJ015371 GPCNMR C25H44N10O8S2 676.2785 NA PeJP NA NA +PJ015372 GMHFW C33H40N8O6S 676.2792 NA PeJP NA NA +PJ015373 SQQEW C29H40N8O11 676.2817 NA PeJP NA NA +PJ015374 STTTMH C26H44N8O11S 676.285 NA PeJP NA NA +PJ015375 AAQQEM C26H44N8O11S 676.2851 NA PeJP NA NA +PJ015376 PPDYW C34H40N6O9 676.2857 NA PeJP NA NA +PJ015377 KMMMH C27H48N8O6S3 676.2859 NA PeJP NA NA +MJ090003 1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 1,11-Dibenzoyl, 2,3-di-Ac C38H44O11 676.288362 NA MeJP NA NA +MJ090004 1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 1,11-Dibenzoyl, 2,7-di-Ac C38H44O11 676.288362 NA MeJP NA NA +MJ090005 1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 1,11-Dibenzoyl, 3,7-di-Ac C38H44O11 676.288362 NA MeJP NA NA +PJ015378 TCKYY C31H44N6O9S 676.2891 NA PeJP NA NA +7444 coeliac toxic peptide QGQQGYYPTSPQ 676.2915 MH2+ Inhouse_peptide NA peptide +PJ015379 GTLEEE C27H44N6O14 676.2916 NA PeJP NA NA +PJ015380 APVEMM C28H48N6O9S2 676.2924 NA PeJP NA NA +PJ015381 GPLEMM C28H48N6O9S2 676.2925 NA PeJP NA NA +PJ015382 SNDRW C28H40N10O10 676.2929 NA PeJP NA NA +MJ090006 Inerminoside B; 6''',7'''-Dihydro C31H48O16 676.294235 NA MeJP NA NA +PJ015383 NQEMR C25H44N10O10S 676.2963 NA PeJP NA NA +PJ015384 GTQWW C33H40N8O8 676.2969 NA PeJP NA NA +MJ090007 Aglaine B; 3,4-Diepimer, 3'-methoxy, 19-hydroxy C37H44N2O10 676.299595 NA MeJP NA NA +PJ015385 VNQMW C30H44N8O8S 676.3003 NA PeJP NA NA +PJ015386 GSQKEE C26H44N8O13 676.3028 NA PeJP NA NA +PJ015387 GPNKMM C27H48N8O8S2 676.3037 NA PeJP NA NA +PJ015388 QQQHH C27H40N12O9 676.3041 NA PeJP NA NA +PJ015389 GAQQHH C27H40N12O9 676.3042 NA PeJP NA NA +PJ015390 PPMFW C35H44N6O6S 676.3043 NA PeJP NA NA +PJ015391 TLEEW C31H44N6O11 676.3068 NA PeJP NA NA +PJ015392 CNERR C24H44N12O9S 676.3075 NA PeJP NA NA +PJ015393 PLMMW C32H48N6O6S2 676.3077 NA PeJP NA NA +PJ015394 PTHHW C32H40N10O7 676.3082 NA PeJP NA NA +MJ090008 Euphorrepinol; 5-Tigloyl, penta-Ac C35H48O13 676.309491 NA MeJP NA NA +MJ090009 Euphorrepinol; 7-Tigloyl, penta-Ac C35H48O13 676.309491 NA MeJP NA NA +MJ090010 Limbonin C35H48O13 676.309491 NA MeJP NA NA +MJ090011 Synadenol; 7-(2-Methylbutanoyl), penta-Ac C35H48O13 676.309491 NA MeJP NA NA +PJ015395 GVLEEM C28H48N6O11S 676.3102 NA PeJP NA NA +PJ015396 GQMRW C29H44N10O7S 676.3115 NA PeJP NA NA +PJ015397 GGAMRW C29H44N10O7S 676.3116 NA PeJP NA NA +MJ090012 Cholesta-4,22-diene-3,6,8,15,16,24-hexol, 3-O-?-D-Xylopyranoside, 15-sulfate C32H52O13S 676.312862 NA MeJP NA NA +PJ015398 GSTQER C25H44N10O12 676.314 NA PeJP NA NA +PJ015399 GSDDKR C25H44N10O12 676.3141 NA PeJP NA NA +PJ015400 APCCKR C26H48N10O7S2 676.3149 NA PeJP NA NA +PJ015401 NNHHR C26H40N14O8 676.3154 NA PeJP NA NA +PJ015402 SQKEW C30H44N8O10 676.3181 NA PeJP NA NA +PJ015403 LEEMR C27H48N8O10S 676.3214 NA PeJP NA NA +PJ015404 GGGVKEM C27H48N8O10S 676.3215 NA PeJP NA NA +PJ015405 PVEFW C35H44N6O8 676.3221 NA PeJP NA NA +PJ015406 GCRRW C28H44N12O6S 676.3228 NA PeJP NA NA +MJ090013 Pregnane-3,5,6,8,12,14,17,20-octol, 12,20-Dicinnamoyl C39H48O10 676.324747 NA MeJP NA NA +PJ015407 GSSDRR C24H44N12O11 676.3253 NA PeJP NA NA +PJ015408 VLEMW C32H48N6O8S 676.3255 NA PeJP NA NA +PJ015409 SSLLEE C28H48N6O13 676.328 NA PeJP NA NA +PJ015410 SPVLMM C29H52N6O8S2 676.3288 NA PeJP NA NA +PJ015411 STQRW C29H44N10O9 676.3293 NA PeJP NA NA +PJ015412 NKEMR C26H48N10O9S 676.3327 NA PeJP NA NA +PJ015413 GTKWW C34H44N8O7 676.3333 NA PeJP NA NA +PJ015414 VNKMW C31H48N8O7S 676.3367 NA PeJP NA NA +PJ015415 GSKKEE C27H48N8O12 676.3392 NA PeJP NA NA +PJ015416 APCKKM C28H52N8O7S2 676.3401 NA PeJP NA NA +PJ015417 VEHHR C28H44N12O8 676.3405 NA PeJP NA NA +MJ090014 Antibiotic A 4993; Antibiotic A 4993A C28H44N12O8 676.340506 NA MeJP NA NA +PJ015418 GPVLEY C32H48N6O10 676.3432 NA PeJP NA NA +MJ090015 Bastaxanthol; 16'-Deoxy, 3-O-sulfate C40H52O7S 676.343374 NA MeJP NA NA +PJ015419 SQMRR C25H48N12O8S 676.3439 NA PeJP NA NA +PJ015420 VVHHW C33H44N10O6 676.3446 NA PeJP NA NA +MJ090016 2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione, 2-O-?-D-Glucopyranoside C36H52O12 676.345877 NA MeJP NA NA +MJ090017 2,3,16-Trihydroxy-12-oleanene-23,28-dioic acid, 3-O-[4-Deoxy-?-L-threo-hex-4-enopyranuroside] C36H52O12 676.345877 NA MeJP NA NA +MJ090018 2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-(6-Methyloctanoyl), 3-angeloyl, 8-(3-methyl-2-butenoyl), 10-Ac C36H52O12 676.345877 NA MeJP NA NA +MJ090019 3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-[à L-Rhamnopyranosyl-(1??)-à L-rhamnopyranoside] C36H52O12 676.345877 NA MeJP NA NA +MJ090020 Aquastatin B; 4'-O-?-D-Glucopyranoside C36H52O12 676.345877 NA MeJP NA NA +PJ015421 ATLLEM C29H52N6O10S 676.3466 NA PeJP NA NA +PJ015422 GKMRW C30H48N10O6S 676.3479 NA PeJP NA NA +MJ090021 Ergost-22-ene-3,6,8,15,28-pentol, 3-O-?-D-Xylopyranoside, 28-sulfate C33H56O12S 676.349247 NA MeJP NA NA +PJ015423 GSTKER C26H48N10O11 676.3504 NA PeJP NA NA +PJ015424 SKKEW C31H48N8O9 676.3544 NA PeJP NA NA +PJ015425 GSVTKW C31H48N8O9 676.3545 NA PeJP NA NA +PJ015426 SCRRR C24H48N14O7S 676.3551 NA PeJP NA NA +PJ015427 AAKKEM C28H52N8O9S 676.3578 NA PeJP NA NA +PJ015428 PVLYW C36H48N6O7 676.3585 NA PeJP NA NA +PJ015429 GSTTRR C25H48N12O10 676.3617 NA PeJP NA NA +PJ015430 GPLLMF C33H52N6O7S 676.3619 NA PeJP NA NA +MJ090022 Ervahanine A; 3'-Hydroxy, N-de-Me C41H48N4O5 676.36247 NA MeJP NA NA +MJ090023 Ervahanine B; 3'-Hydroxy, N-de-Me C41H48N4O5 676.36247 NA MeJP NA NA +MJ090024 Villalstonine; 4'-N-Oxide C41H48N4O5 676.36247 NA MeJP NA NA +PJ015431 TTTLLE C29H52N6O12 676.3643 NA PeJP NA NA +PJ015432 GLLLMM C30H56N6O7S2 676.3652 NA PeJP NA NA +PJ015433 STKRW C30H48N10O8 676.3657 NA PeJP NA NA +MJ090025 1,6,10-Farnesatrien-3-ol, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C33H56O14 676.367006 NA MeJP NA NA +MJ090026 1,6,10-Farnesatrien-3-ol, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C33H56O14 676.367006 NA MeJP NA NA +MJ090027 Gingerglycolipid A C33H56O14 676.367006 NA MeJP NA NA +MJ090028 Murolic acid, O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C33H56O14 676.367006 NA MeJP NA NA +MJ090029 Murolic acid, O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C33H56O14 676.367006 NA MeJP NA NA +PJ015434 DKKMR C27H52N10O8S 676.3691 NA PeJP NA NA +PJ015435 VKHFF C35H48N8O6 676.3697 NA PeJP NA NA +PJ015436 CLKKW C32H52N8O6S 676.3731 NA PeJP NA NA +PJ015437 ATTKKE C28H52N8O11 676.3756 NA PeJP NA NA +PJ015438 AQFRR C29H48N12O7 676.3769 NA PeJP NA NA +PJ015439 APTLLY C33H52N6O9 676.3796 NA PeJP NA NA +PJ015440 SKMRR C26H52N12O7S 676.3803 NA PeJP NA NA +MJ090030 1-[3-(Acetyloxy)-17-(1-oxopropoxy)-2-(1-piperidinyl)androstan-16-yl]-1-(2-propenyl)piperidinium(1+); Bromide C37H61BrN2O4 676.381471 NA MeJP NA NA +MJ090031 16,23:22,25-Diepoxycycloart-7-ene-3,12,23,24-tetrol, 12-Ac, 3-O-?-D-xylopyranoside C37H56O11 676.382262 NA MeJP NA NA +MJ090032 16,23:22,25-Diepoxycycloart-7-ene-3,12,23,24-tetrol, 12-Ac, 3-O-?-L-arabinopyranoside C37H56O11 676.382262 NA MeJP NA NA +MJ090033 3,19-Dihydroxy-1-oxo-12-ursene-23,28-dioic acid, 3-O-?-D-Arabinopyranoside, di-Me ester C37H56O11 676.382262 NA MeJP NA NA +MJ090034 3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucuronopyranoside, 30-Me ester C37H56O11 676.382262 NA MeJP NA NA +MJ090035 Acteol; 3-O-?-D-Xylopyranoside, 12-Ac C37H56O11 676.382262 NA MeJP NA NA +MJ090036 Acteol; 3-O-?-L-Arabinopyranoside, 12-Ac C37H56O11 676.382262 NA MeJP NA NA +PJ015441 STLLLM C30H56N6O9S 676.383 NA PeJP NA NA +PJ015442 SSSLKR C27H52N10O10 676.3868 NA PeJP NA NA +PJ015443 AAPKKY C32H52N8O8 676.3908 NA PeJP NA NA +PJ015444 GGGVLKF C32H52N8O8 676.3909 NA PeJP NA NA +PJ015445 GTLKKM C29H56N8O8S 676.3942 NA PeJP NA NA +PJ015446 VLLFW C37H52N6O6 676.3949 NA PeJP NA NA +MJ090037 Presecamine C42H52N4O4 676.398856 NA MeJP NA NA +MJ090038 Secamine C42H52N4O4 676.398856 NA MeJP NA NA +MJ090039 Tabernaemontavine C42H52N4O4 676.398856 NA MeJP NA NA +PJ015447 VQKFR C31H52N10O7 676.4021 NA PeJP NA NA +PJ015448 STTLKK C29H56N8O10 676.412 NA PeJP NA NA +PJ015449 AKFRR C30H52N12O6 676.4133 NA PeJP NA NA +PJ015450 GVLLLY C34H56N6O8 676.416 NA PeJP NA NA +MJ090040 1,3,23-Trihydroxy-12-oleanen-29-oic acid, 1-Ac, 23-O-?-L-rhamnopyranoside C38H60O10 676.418648 NA MeJP NA NA +MJ090041 Hyalodendroside B C38H60O10 676.418648 NA MeJP NA NA +MJ090042 Senescensol; 2-(3-Hydroxy-3-methylglutaroyl)(S-), 3-Ac C38H60O10 676.418648 NA MeJP NA NA +PJ015451 LLLRY C33H56N8O7 676.4272 NA PeJP NA NA +PJ015452 VKKFR C32H56N10O6 676.4385 NA PeJP NA NA +MJ090043 Minalemines; Minalemine A, N13-Sulfate C29H60N10O6S 676.4418 NA MeJP NA NA +MJ090044 20-Hydroxy-8-[2-hydroxy-1-methyl-3-(tetrahydro-2,4-dihydroxy-5,6-dimethyl-2H-pyran-2-yl)butyl]-1,3,9,13-tetramethyl-16-pentyl-7,17,19-trioxabicyclo[13.4.1]eicosa-2,4,10,12-tetraen-6-one; 24-Me ether C39H64O9 676.455033 NA MeJP NA NA +MJ090045 Belamcandaquinone A C44H68O5 676.506675 NA MeJP NA NA +MJ090046 Belamcandaquinone B C44H68O5 676.506675 NA MeJP NA NA +MJ090047 1-Octacosanol; O-(3-O-Benzoyl-?-D-glucopyranoside) C41H72O7 676.527804 NA MeJP NA NA +MJ090048 1,3,29,31-Dotriacontanetetrol, 1-O-?-D-Glucopyranoside C38H76O9 676.548934 NA MeJP NA NA +MJ090049 1,3,29,31-Dotriacontanetetrol, 1-O-?-D-Mannopyranoside C38H76O9 676.548934 NA MeJP NA NA +HMDB12085 SM(d18:0/14:0) C37H77N2O6P 676.551941 NA HMDB2010 NA NA +HMDB07152 DG(16:1(9Z)/24:1(15Z)/0:0) C43H80O5 676.600586 NA HMDB2010 NA NA +HMDB07175 DG(18:0/22:2(13Z,16Z)/0:0) C43H80O5 676.600586 NA HMDB2010 NA NA +HMDB07203 DG(18:1(11Z)/22:1(13Z)/0:0) C43H80O5 676.600586 NA HMDB2010 NA NA +HMDB07232 DG(18:1(9Z)/22:1(13Z)/0:0) C43H80O5 676.600586 NA HMDB2010 NA NA +HMDB07260 DG(18:2(9Z,12Z)/22:0/0:0) C43H80O5 676.600586 NA HMDB2010 NA NA +HMDB07370 DG(20:0/20:2(11Z,14Z)/0:0) C43H80O5 676.600586 NA HMDB2010 NA NA +HMDB07398 DG(20:1(11Z)/20:1(11Z)/0:0) C43H80O5 676.600586 NA HMDB2010 NA NA +HMDB07426 DG(20:2(11Z,14Z)/20:0/0:0) C43H80O5 676.600586 NA HMDB2010 NA NA +HMDB07596 DG(22:0/18:2(9Z,12Z)/0:0) C43H80O5 676.600586 NA HMDB2010 NA NA +HMDB07623 DG(22:1(13Z)/18:1(11Z)/0:0) C43H80O5 676.600586 NA HMDB2010 NA NA +HMDB07624 DG(22:1(13Z)/18:1(9Z)/0:0) C43H80O5 676.600586 NA HMDB2010 NA NA +HMDB07651 DG(22:2(13Z,16Z)/18:0/0:0) C43H80O5 676.600586 NA HMDB2010 NA NA +HMDB07824 DG(24:1(15Z)/16:1(9Z)/0:0) C43H80O5 676.600586 NA HMDB2010 NA NA +HMDB05232 DG(20:1(11Z)/20:1(11Z)/0:0) C43H80O5 676.60059 http://www.hmdb.ca/metabolites/HMDB05232 HMDB NA NA +HMDB05232 DG(20:1(11Z)/20:1(11Z)/0:0) C43H80O5 676.60059 HMDB05232 PFEM_hmdb_metabocards_official NA NA +HMDB03885 20:2 Cholesterol ester C47H80O2 676.61584 http://www.hmdb.ca/metabolites/HMDB03885 HMDB NA NA +HMDB03885 20:2 Cholesterol ester C47H80O2 676.61584 HMDB03885 PFEM_hmdb_metabocards_official NA NA +HMDB06734 CE(20:2(6Z,9Z)) C47H80O2 676.615845 NA HMDB2010 NA NA +MJ090050 26-Hydroxy-21-hexatetracontanone C46H92O2 676.709732 NA MeJP NA NA +MJ090051 Eicosanoic acid; Hexacosyl ester C46H92O2 676.709732 NA MeJP NA NA +MJ090052 Hexatetracontanoic acid C46H92O2 676.709732 NA MeJP NA NA +C04631 UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine C20H29N3O19P2 677.087 NA KEGG NA NA +C04632 [Hydroxymethylglutaryl-CoA reductase (NADPH)] C4H6N2O3R2 677.087 NA KEGG NA NA +C04633 (3R)-3-Hydroxypalmitoyl-[acyl-carrier protein] C16H31O2SR 677.087 NA KEGG NA NA +MJ090053 UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine C20H29N3O19P2 677.087048 NA MeJP NA NA +MetaCyc04043 UDP-GlcNAc-enolpyruvate [UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvate ether;UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-GlcNAc-pyruvate enol ether;] C20H29N3O19P2 677.087049 NA metacyc NA NA +PJ015453 GSCCCCC C20H35N7O9S5 677.11 NA PeJP NA NA +PJ015454 SCCNDH C23H35N9O11S2 677.1898 NA PeJP NA NA +PJ015455 PCNDDD C24H35N7O14S 677.1963 NA PeJP NA NA +PJ015456 CDDYY C29H35N5O12S 677.2003 NA PeJP NA NA +PJ015457 CMMMY C27H43N5O7S4 677.2045 NA PeJP NA NA +PJ015458 GCCQMH C24H39N9O8S3 677.2084 NA PeJP NA NA +PJ015459 GNDDEE C24H35N7O16 677.2141 NA PeJP NA NA +PJ015460 GSPPCCD C25H39N7O11S2 677.2149 NA PeJP NA NA +PJ015461 CDMFY C30H39N5O9S2 677.2189 NA PeJP NA NA +PJ015462 GCCCHR C23H39N11O7S3 677.2196 NA PeJP NA NA +PJ015463 SNNNDD C23H35N9O15 677.2253 NA PeJP NA NA +PJ015464 SSCNMH C24H39N9O10S2 677.2262 NA PeJP NA NA +PJ015465 NDDEW C28H35N7O13 677.2293 NA PeJP NA NA +MJ090054 Perdeacylevonine; 1,2,14-Tri-Ac C32H39NO15 677.231969 NA MeJP NA NA +MJ090055 Perdeacylevonine; 1,9,14-Tri-Ac C32H39NO15 677.231969 NA MeJP NA NA +PJ015466 SPNDDM C25H39N7O13S 677.2327 NA PeJP NA NA +PJ015467 EMMMH C26H43N7O8S3 677.2335 NA PeJP NA NA +PJ015468 PPCCQM C26H43N7O8S3 677.2336 NA PeJP NA NA +MJ090056 Penitrem A; Dechloro, 6-bromo C37H44BrNO6 677.2352 NA MeJP NA NA +PJ015469 SDMYY C30H39N5O11S 677.2367 NA PeJP NA NA +PJ015470 CMMFF C31H43N5O6S3 677.2376 NA PeJP NA NA +PJ015471 GSSSTCH C24H39N9O12S 677.2439 NA PeJP NA NA +PJ015472 GDDWW C32H35N7O10 677.2446 NA PeJP NA NA +PJ015473 PPCCCR C25H43N9O7S3 677.2448 NA PeJP NA NA +MJ090057 Ulicyclamide C33H39N7O5S2 677.245408 NA MeJP NA NA +PJ015474 GSPCEW C29H39N7O10S 677.2479 NA PeJP NA NA +PJ015475 GSQEEE C25H39N7O15 677.2504 NA PeJP NA NA +PJ015476 GGGTEEE C25H39N7O15 677.2505 NA PeJP NA NA +PJ015477 GPNEMM C26H43N7O10S2 677.2513 NA PeJP NA NA +PJ015478 CDFFF C34H39N5O8S 677.252 NA PeJP NA NA +PJ015479 GCNNDR C23H39N11O11S 677.2552 NA PeJP NA NA +PJ015480 AMMYY C31H43N5O8S2 677.2553 NA PeJP NA NA +PJ015481 NNNMW C28H39N9O9S 677.2592 NA PeJP NA NA +PJ015482 GSDDER C24H39N9O14 677.2617 NA PeJP NA NA +PJ015483 APCCER C25H43N9O9S2 677.2625 NA PeJP NA NA +PJ015484 GPCDMR C25H43N9O9S2 677.2626 NA PeJP NA NA +PJ015485 SPCWW C33H39N7O7S 677.2632 NA PeJP NA NA +PJ015486 SQEEW C29H39N7O12 677.2657 NA PeJP NA NA +PJ015487 PNMMW C30H43N7O7S2 677.2666 NA PeJP NA NA +PJ015488 AAQEEM C26H43N7O12S 677.2691 NA PeJP NA NA +PJ015489 GEFYY C34H39N5O10 677.2697 NA PeJP NA NA +PJ015490 PPCCKM C27H47N7O7S3 677.2699 NA PeJP NA NA +PJ015491 GPCQHH C27H39N11O8S 677.2704 NA PeJP NA NA +MJ090058 Maytansine; N22-De-Me C33H44ClN3O10 677.271522 NA MeJP NA NA +PJ015492 TTMYY C31H43N5O10S 677.2731 NA PeJP NA NA +PJ015493 SDDRW C28H39N9O11 677.2769 NA PeJP NA NA +PJ015494 NEEMR C25H43N9O11S 677.2803 NA PeJP NA NA +PJ015495 ASEWW C33H39N7O9 677.2809 NA PeJP NA NA +PJ015496 GTEWW C33H39N7O9 677.281 NA PeJP NA NA +EUR367 Vitamin B12 F1 F1 677.283275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR367 Vitamine B12 F1 NA 677.283275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR367 Vitamin B12 F1 F1 677.283275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR367 Vitamine B12 F1 NA 677.283275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR367 Vitamin B12 F1 F1 677.283275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR367 Vitamine B12 F1 NA 677.283275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR367 Vitamin B12 F1 F1 677.283275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR367 Vitamin B12 F1 F1 677.283275 standards wishlist analysés sur QTOF HMDB NA NA +EUR367 Vitamin B12 F1 F1 677.283275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR367 Vitamine B12 F1 NA 677.283275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR367 Vitamin B12 F1 F1 677.283275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR367 Vitamin B12 F1 F1 677.283275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ015497 VNEMW C30H43N7O9S 677.2843 NA PeJP NA NA +PJ015498 FYYW C38H39N5O7 677.285 NA PeJP NA NA +PJ015499 GSKEEE C26H43N7O14 677.2868 NA PeJP NA NA +PJ015500 GPDKMM C27H47N7O9S2 677.2877 NA PeJP NA NA +PJ015501 QQEHH C27H39N11O10 677.2882 NA PeJP NA NA +PJ015502 AMFFY C35H43N5O7S 677.2883 NA PeJP NA NA +PJ015503 CDERR C24H43N11O10S 677.2915 NA PeJP NA NA +PJ015504 GGGGGSMR C24H43N11O10S 677.2916 NA PeJP NA NA +PJ015505 NNHFF C32H39N9O8 677.2922 NA PeJP NA NA +PJ015506 CNQKW C29H43N9O8S 677.2955 NA PeJP NA NA +PJ015507 GEMRW C29H43N9O8S 677.2956 NA PeJP NA NA +PJ015508 TWWW C37H39N7O6 677.2962 NA PeJP NA NA +MJ090059 Callipeltoside A C35H48ClNO10 677.296674 NA MeJP NA NA +PJ015509 SSTQQQ C25H43N9O13 677.298 NA PeJP NA NA +PJ015510 GSTEER C25H43N9O13 677.2981 NA PeJP NA NA +PJ015511 GSPMMR C26H47N9O8S2 677.2989 NA PeJP NA NA +PJ015512 NDHHR C26H39N13O9 677.2994 NA PeJP NA NA +3129 ester transferases inhibitor WRMW 677.2994 celiac toxic Inhouse_peptide NA peptide +PJ015513 GVMWW C34H43N7O6S 677.2996 NA PeJP NA NA +PJ015514 SKEEW C30H43N7O11 677.3021 NA PeJP NA NA +PJ015515 LMMHF C31H47N7O6S2 677.3029 NA PeJP NA NA +PJ015516 AQHHW C31H39N11O7 677.3034 NA PeJP NA NA +PJ015517 SSPKEM C27H47N7O11S 677.3054 NA PeJP NA NA +MJ090060 Arsimycin C27H47N7O11S 677.305426 NA MeJP NA NA +PJ015518 AAKEEM C27H47N7O11S 677.3055 NA PeJP NA NA +MJ090061 Penfluridol; Decanoyl C38H45ClF5NO2 677.305898 NA MeJP NA NA +PJ015519 GLYYY C35H43N5O9 677.3061 NA PeJP NA NA +PJ015520 GPCKHH C28H43N11O7S 677.3068 NA PeJP NA NA +PJ015521 SSSNQR C24H43N11O12 677.3093 NA PeJP NA NA +PJ015522 MRWW C33H43N9O5S 677.3108 NA PeJP NA NA +PJ015523 STERW C29H43N9O10 677.3133 NA PeJP NA NA +MJ090062 Thiazinotrienomycin F C37H47N3O7S 677.313471 NA MeJP NA NA +PJ015524 DKEMR C26H47N9O10S 677.3167 NA PeJP NA NA +PJ015525 SSLWW C34H43N7O8 677.3173 NA PeJP NA NA +PJ015526 GGGPPFF C34H43N7O8 677.3174 NA PeJP NA NA +PJ015527 VDKMW C31H47N7O8S 677.3207 NA PeJP NA NA +PJ015528 AFFFF C39H43N5O6 677.3214 NA PeJP NA NA +PJ015529 ATTKEE C27H47N7O13 677.3232 NA PeJP NA NA +PJ015530 APTKMM C28H51N7O8S2 677.3241 NA PeJP NA NA +PJ015531 NNQFR C28H43N11O9 677.3245 NA PeJP NA NA +PJ015532 GGNQFR C28H43N11O9 677.3246 NA PeJP NA NA +PJ015533 SEMRR C25H47N11O9S 677.3279 NA PeJP NA NA +PJ015534 GPRYW C33H43N9O7 677.3286 NA PeJP NA NA +PJ015535 SVMRW C30H47N9O7S 677.3319 NA PeJP NA NA +PJ015536 GGCKKW C30H47N9O7S 677.332 NA PeJP NA NA +PJ015537 SSSLER C26H47N9O12 677.3344 NA PeJP NA NA +PJ015538 GGGGTTTK C26H47N9O12 677.3345 NA PeJP NA NA +PJ015539 LQMMR C27H51N9O7S2 677.3353 NA PeJP NA NA +PJ015540 TQHHR C27H43N13O8 677.3358 NA PeJP NA NA +PJ015541 GTTTLW C31H47N7O10 677.3385 NA PeJP NA NA +PJ015542 AKHHW C32H43N11O6 677.3398 NA PeJP NA NA +PJ015543 GTLKEM C28H51N7O10S 677.3418 NA PeJP NA NA +PJ015544 PCFRR C29H47N11O6S 677.3432 NA PeJP NA NA +PJ015545 SSSNKR C25H47N11O11 677.3457 NA PeJP NA NA +PJ015546 CLMRR C26H51N11O6S2 677.3466 NA PeJP NA NA +PJ015547 PDKRY C30H47N9O9 677.3497 NA PeJP NA NA +PJ015548 GTTLMR C27H51N9O9S 677.3531 NA PeJP NA NA +MJ090063 Antibiotic RK 75 C35H47N7O7 677.353696 NA MeJP NA NA +PJ015549 PTKFW C35H47N7O7 677.3537 NA PeJP NA NA +PJ015550 TLKMW C32H51N7O7S 677.3571 NA PeJP NA NA +PJ015551 STTLKE C28H51N7O12 677.3596 NA PeJP NA NA +PJ015552 GVLKMM C29H55N7O7S2 677.3605 NA PeJP NA NA +PJ015553 SPRRY C29H47N11O8 677.3609 NA PeJP NA NA +PJ015554 GGGGKFR C29H47N11O8 677.361 NA PeJP NA NA +PJ015555 GSCKKR C26H51N11O8S 677.3643 NA PeJP NA NA +PJ015556 GLFRW C34H47N9O6 677.365 NA PeJP NA NA +PJ015557 PKMFR C31H51N9O6S 677.3683 NA PeJP NA NA +PJ015558 STTTLR C27H51N9O11 677.3708 NA PeJP NA NA +PJ015559 LKMMR C28H55N9O6S2 677.3717 NA PeJP NA NA +PJ015560 TKHHR C28H47N13O7 677.3722 NA PeJP NA NA +PJ015561 ASPLKY C32H51N7O9 677.3748 NA PeJP NA NA +PJ015562 GPTLKY C32H51N7O9 677.3749 NA PeJP NA NA +MJ090064 Germine; O15-(R)-2-Methylbutanoyl, O3,O7-di-Ac C36H55NO11 677.377511 NA MeJP NA NA +PJ015563 SSLLKM C29H55N7O9S 677.3782 NA PeJP NA NA +PJ015564 VLQRY C31H51N9O8 677.3861 NA PeJP NA NA +PJ015565 GSKKKM C28H55N9O8S 677.3895 NA PeJP NA NA +PJ015566 VVKFW C36H51N7O6 677.3901 NA PeJP NA NA +PJ015567 ALRRY C30H51N11O7 677.3973 NA PeJP NA NA +PJ015568 SSTKKK C28H55N9O10 677.4072 NA PeJP NA NA +PJ015569 PLHRR C29H51N13O6 677.4086 NA PeJP NA NA +PJ015570 AALLKY C33H55N7O8 677.4112 NA PeJP NA NA +MJ090065 Monamycins; Monamycin A C33H55N7O8 677.411211 NA MeJP NA NA +MJ090066 Monamycins; Monamycin B1 C33H55N7O8 677.411211 NA MeJP NA NA +MJ090067 Monamycins; Monamycin B2 C33H55N7O8 677.411211 NA MeJP NA NA +MJ090068 Monamycins; Monamycin B3 C33H55N7O8 677.411211 NA MeJP NA NA +PJ015571 AAPPPIL C33H55N7O8 677.4113 NA PeJP NA NA +PJ015572 VLKRY C32H55N9O7 677.4225 NA PeJP NA NA +HMDB12331 PS(14:0/14:1(9Z)) C34H64NO10P 677.426758 NA HMDB2010 NA NA +HMDB12341 PS(14:1(9Z)/14:0) C34H64NO10P 677.426758 NA HMDB2010 NA NA +PJ015573 KKKKF C33H59N9O6 677.4589 NA PeJP NA NA +HMDB07866 PC(14:0/14:0) C36H72NO8P 677.499573 NA HMDB2010 NA NA +HMDB08890 PE(15:0/16:0) C36H72NO8P 677.499573 NA HMDB2010 NA NA +HMDB08922 PE(16:0/15:0) C36H72NO8P 677.499573 NA HMDB2010 NA NA +MJ090069 Pamamycin; Pamamycin 677 C40H71NO7 677.523053 NA MeJP NA NA +HMDB04955 Ceramide (d18:1/26:0) C44H87NO3 677.668579 NA HMDB2010 NA NA +HMDB11772 Cer(d18:0/26:1(17Z)) C44H87NO3 677.668579 NA HMDB2010 NA NA +HMDB04955 Ceramide (d18:1/26:0) C44H87NO3 677.66858 http://www.hmdb.ca/metabolites/HMDB04955 HMDB NA NA +HMDB04955 Ceramide (d18:1/26:0) C44H87NO3 677.66858 HMDB04955 PFEM_hmdb_metabocards_official NA NA +EUR368 Vitamin B12 F2 F2 677.784675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR368 Vitamine B12 F2 NA 677.784675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR368 Vitamin B12 F2 F2 677.784675 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR368 Vitamine B12 F2 NA 677.784675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR368 Vitamin B12 F2 F2 677.784675 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR368 Vitamine B12 F2 NA 677.784675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR368 Vitamin B12 F2 F2 677.784675 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR368 Vitamin B12 F2 F2 677.784675 standards wishlist analysés sur QTOF HMDB NA NA +EUR368 Vitamin B12 F2 F2 677.784675 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR368 Vitamine B12 F2 NA 677.784675 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR368 Vitamin B12 F2 F2 677.784675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR368 Vitamin B12 F2 F2 677.784675 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +8297 ACE inhibitor MNVKHWPWMK 677.82385 MH2+ Inhouse_peptide NA peptide +7034 synthetic peptide from alpha-gliadin QGSVQPQQLPQF 677.8335 MH2+ Inhouse_peptide NA peptide +MJ090070 Norbadione A C35H18O15 678.064569 NA MeJP NA NA +PARAC031 UNKNOWN signif manip paracetamol NA 678.0948 RT7.8 PFEM_hmdb_metabocards_urine NA urine +PARAC031 UNKNOWN signif manip paracetamol NA 678.0948 RT7.8 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +PARAC031 UNKNOWN signif manip paracetamol NA 678.0948 RT7.8 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +PARAC031 UNKNOWN signif manip paracetamol NA 678.0948 RT7.8 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +PARAC031 UNKNOWN signif manip paracetamol NA 678.0948 RT7.8 HMDB NA NA +PARAC031 UNKNOWN signif manip paracetamol NA 678.0948 RT7.8 Inhouse_PFEM NA NA +PARAC031 UNKNOWN signif manip paracetamol NA 678.0948 RT7.8 PFEM_hmdb_metabocards_blood NA blood +PARAC031 UNKNOWN signif manip paracetamol NA 678.0948 RT7.8 PFEM_hmdb_metabocards_official NA NA +MJ090071 Auranofin C20H34AuO9PS 678.132666 NA MeJP NA NA +MJ090072 1,3,4-Tri-O-caffeoylquinic acid C34H30O15 678.15847 NA MeJP NA NA +MJ090073 1,3,5-Tricaffeoylquinic acid C34H30O15 678.15847 NA MeJP NA NA +PJ015574 GCCCMY C25H38N6O8S4 678.1634 NA PeJP NA NA +MJ090074 Lyngbyabellin B C28H40Cl2N4O7S2 678.171546 NA MeJP NA NA +MJ090075 Julichrome Q2.2 C38H30O12 678.173726 NA MeJP NA NA +PJ015575 SCCDDH C23H34N8O12S2 678.1738 NA PeJP NA NA +FL3FAAGS0054 Apigenin 7-(4'',6''-diacetylalloside)-4'-alloside C31H34O17 678.17959 95690-53-2 knapsack NA NA +FL5FAAGS0124 Kaempferol 3-(4'',6''-diacetylglucoside)-7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3-[(4,6-di-O-acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)- 4H-1-benzopyran-4-one C31H34O17 678.17959 214351-81-2 knapsack NA NA +MJ090076 4',5,7-Trihydroxyflavone; 7-O-(4,6-Di-O-acetyl-?-D-allopyranoside), 4'-O-?-D-allopyranoside C31H34O17 678.179599 NA MeJP NA NA +MJ090077 ?-Rhamnoisorobin; 3-O-(4,6-Di-O-acetyl-?-D-glucopyranoside) C31H34O17 678.179599 NA MeJP NA NA +MJ090078 3,4',5,7-Tetrahydroxyflavylium(1+); 3,5-Di-O-(6-O-acetyl-?-D-glucopyranoside) C31H35O17(+) 678.179599 NA MeJP NA NA +PJ015576 PCDDDD C24H34N6O15S 678.1803 NA PeJP NA NA +PJ015577 STCCCY C25H38N6O10S3 678.1812 NA PeJP NA NA +MJ090079 Gnetin H; 2,3-Didehydro, 3'',4',5''-trideoxy, 3',4'',5'-trihydroxy C42H30O9 678.188982 NA MeJP NA NA +MJ090080 Gnetin H; 3-Epimer, 5,6-didehydro C42H30O9 678.188982 NA MeJP NA NA +MJ090081 ?-Viniferin C42H30O9 678.188982 NA MeJP NA NA +MetaCyc04044 α-viniferin [] C42H30O9 678.188983 NA metacyc NA NA +PJ015578 GCCEMH C24H38N8O9S3 678.1924 NA PeJP NA NA +PJ015579 GCCCFF C29H38N6O7S3 678.1964 NA PeJP NA NA +PJ015580 GDDDEE C24H34N6O17 678.1981 NA PeJP NA NA +MJ090082 3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Octa-Ac C28H38O19 678.200729 NA MeJP NA NA +MJ090083 4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Octa-Ac C28H38O19 678.200729 NA MeJP NA NA +MJ090084 4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Octa-Ac C28H38O19 678.200729 NA MeJP NA NA +MJ090085 6-O-?-D-Galactopyranosyl-D-mannose; ?-Pyranose-form, Octa-Ac C28H38O19 678.200729 NA MeJP NA NA +MJ090086 6-O-?-D-Glucopyranosyl-D-mannose; ?-Pyranose-form, Octa-Ac C28H38O19 678.200729 NA MeJP NA NA +MJ090087 6-O-?-D-Glucopyranosyl-D-mannose; ?-Pyranose-form, Octa-Ac C28H38O19 678.200729 NA MeJP NA NA +MJ090088 6-O-?-D-Glucopyranosyl-D-mannose; Pyranose-form, Octa-Ac C28H38O19 678.200729 NA MeJP NA NA +MJ090089 Sucrose; Octa-Ac C28H38O19 678.200729 NA MeJP NA NA +PJ015581 CCMHW C28H38N8O6S3 678.2077 NA PeJP NA NA +MJ090090 Antibiotic AT 2433; Antibiotic AT 2433A1 C34H35ClN4O9 678.209256 NA MeJP NA NA +PJ015582 SNNDDD C23H34N8O16 678.2093 NA PeJP NA NA +PJ015583 SSCDMH C24H38N8O11S2 678.2102 NA PeJP NA NA +PJ015584 DDDEW C28H34N6O14 678.2133 NA PeJP NA NA +PJ015585 CCQYY C29H38N6O9S2 678.2142 NA PeJP NA NA +FL3FCFCS0003 Linoside A C32H38O16 678.21598 39040-82-9 knapsack NA NA +FL5FAAGI0007 Hexandraside E;8-Prenylkaempferol 3,7-diglucoside;Noranhydroicaritin 3,7-diglucoside;3,4',5,7-Tetrahydroxy-8-(3-methyl-2-butenyl)flavone 3,7-diglucoside;3,7-Bis(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C32H38O16 678.21598 139955-75-2 knapsack NA NA +MJ090091 3,4',5,7-Tetrahydroxy-8-prenylflavone; 3,7-Di-O-?-D-glucopyranoside C32H38O16 678.215985 NA MeJP NA NA +MJ090092 Isoorientin; 3',4',7-Tri-Me ether, 6''-Ac, 2''-O-?-L-rhamnopyranosyl C32H38O16 678.215985 NA MeJP NA NA +MJ090093 Neooleuropein; 10-Hydroxy C32H38O16 678.215985 NA MeJP NA NA +PJ015586 SPDDDM C25H38N6O14S 678.2167 NA PeJP NA NA +PJ015587 PPCCEM C26H42N6O9S3 678.2176 NA PeJP NA NA +MJ090094 Xylopentaose C25H42O21 678.221858 NA MeJP NA NA +PJ015588 GPCCNW C28H38N8O8S2 678.2254 NA PeJP NA NA +PJ015589 GNNDEM C24H38N8O13S 678.2279 NA PeJP NA NA +PJ015590 GGGGGDEM C24H38N8O13S 678.228 NA PeJP NA NA +PJ015591 GTCMMH C25H42N8O8S3 678.2288 NA PeJP NA NA +PJ015592 GSSCYY C29H38N6O11S 678.2319 NA PeJP NA NA +PJ015593 GSEEEE C25H38N6O16 678.2345 NA PeJP NA NA +PJ015594 GPDEMM C26H42N6O11S2 678.2353 NA PeJP NA NA +MJ090095 Tangshenoside I C29H42O18 678.237114 NA MeJP NA NA +PJ015595 GCNDDR C23H38N10O12S 678.2392 NA PeJP NA NA +PJ015596 NNDMW C28H38N8O10S 678.2432 NA PeJP NA NA +PJ015597 SSNNEE C24H38N8O15 678.2457 NA PeJP NA NA +MJ090096 Artonin C C40H38O10 678.246497 NA MeJP NA NA +MJ090097 Brosimone B C40H38O10 678.246497 NA MeJP NA NA +MJ090098 Kuwanon J C40H38O10 678.246497 NA MeJP NA NA +PJ015598 SSSMMH C25H42N8O10S2 678.2466 NA PeJP NA NA +PJ015599 SEEEW C29H38N6O13 678.2497 NA PeJP NA NA +PJ015600 PDMMW C30H42N6O8S2 678.2506 NA PeJP NA NA +MJ090099 3,4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavone; 4'-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside] C33H42O15 678.25237 NA MeJP NA NA +MJ090100 Azadirachtin; O1-Detigloyl, O3-de-Ac, O3-tigloyl C33H42O15 678.25237 NA MeJP NA NA +MJ090101 Azadirachtin; O3-De-Ac C33H42O15 678.25237 NA MeJP NA NA +MJ090102 Capensolactone 1 C33H42O15 678.25237 NA MeJP NA NA +MJ090103 Urceolatoside A; 7?-Hydroxy C33H42O15 678.25237 NA MeJP NA NA +FL5FABGI0028 Wanepimedoside A;8-(3''-Hydroxy-3''-methylbutyl)kaempferol 4'-methyl ether 3-rhamnosyl-(1->2)-rhamnoside;3-[[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C33H42O15 678.25237 181939-44-6 knapsack NA NA +PJ015601 AAEEEM C26H42N6O13S 678.2531 NA PeJP NA NA +PJ015602 PPTCMM C27H46N6O8S3 678.254 NA PeJP NA NA +PJ015603 GPCEHH C27H38N10O9S 678.2544 NA PeJP NA NA +PJ015604 GSSSNNN C23H38N10O14 678.2569 NA PeJP NA NA +PJ015605 SPCCNR C24H42N10O9S2 678.2578 NA PeJP NA NA +PJ015606 GCQWW C32H38N8O7S 678.2584 NA PeJP NA NA +PJ015607 GGACWW C32H38N8O7S 678.2585 NA PeJP NA NA +PJ015608 GSSNEW C28H38N8O12 678.2609 NA PeJP NA NA +PJ015609 GGGSSEW C28H38N8O12 678.261 NA PeJP NA NA +PJ015610 NMMHF C29H42N8O7S2 678.2618 NA PeJP NA NA +MJ090104 Strictosidine; Parent acid, 3'-?-D-glucopyranosyl C32H42N2O14 678.263604 NA MeJP NA NA +MJ090105 Strictosidine; Parent acid, 6'-?-D-glucopyranosyl C32H42N2O14 678.263604 NA MeJP NA NA +PJ015611 DEEMR C25H42N8O12S 678.2643 NA PeJP NA NA +MJ090106 Antibiotic TMC 95A C33H38N6O10 678.264941 NA MeJP NA NA +PJ015612 PDDFW C33H38N6O10 678.265 NA PeJP NA NA +MJ090107 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1-Cinnamoyl, 9-benzoyl, 6,8,14-tri-Ac C37H42O12 678.267626 NA MeJP NA NA +MJ090108 Norstaminol A C37H42O12 678.267626 NA MeJP NA NA +PJ015613 VDEMW C30H42N6O10S 678.2683 NA PeJP NA NA +PJ015614 PCHHW C31H38N10O6S 678.2697 NA PeJP NA NA +PJ015615 ATTEEE C26H42N6O15 678.2708 NA PeJP NA NA +PJ015616 APTEMM C27H46N6O10S2 678.2717 NA PeJP NA NA +PJ015617 GNNNNF C27H38N10O11 678.2722 NA PeJP NA NA +PJ015618 GSCQER C24H42N10O11S 678.2755 NA PeJP NA NA +PJ015619 GSNDMR C24H42N10O11S 678.2756 NA PeJP NA NA +PJ015620 SSNWW C32H38N8O9 678.2762 NA PeJP NA NA +PJ015621 SQQMW C29H42N8O9S 678.2796 NA PeJP NA NA +PJ015622 SSNDKE C25H42N8O14 678.2821 NA PeJP NA NA +PJ015623 AAQQMM C26H46N8O9S2 678.2829 NA PeJP NA NA +PJ015624 GGGVQMM C26H46N8O9S2 678.283 NA PeJP NA NA +PJ015625 DDHHR C26H38N12O10 678.2834 NA PeJP NA NA +EUR369 Vitamin B12 F3 F3 678.284375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR369 Vitamine B12 F3 NA 678.284375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR369 Vitamin B12 F3 F3 678.284375 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR369 Vitamine B12 F3 NA 678.284375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR369 Vitamin B12 F3 F3 678.284375 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR369 Vitamine B12 F3 NA 678.284375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR369 Vitamin B12 F3 F3 678.284375 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR369 Vitamin B12 F3 F3 678.284375 standards wishlist analysés sur QTOF HMDB NA NA +EUR369 Vitamin B12 F3 F3 678.284375 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR369 Vitamine B12 F3 NA 678.284375 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR369 Vitamin B12 F3 F3 678.284375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR369 Vitamin B12 F3 F3 678.284375 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ015626 AAPEEY C30H42N6O12 678.2861 NA PeJP NA NA +PJ015627 GPPMMF C31H46N6O7S2 678.287 NA PeJP NA NA +PJ015628 AEHHW C31H38N10O8 678.2874 NA PeJP NA NA +MJ090109 2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 7-(2-Methylpropanoyl), 2,3,5,8,15-penta-Ac C34H46O14 678.288756 NA MeJP NA NA +MJ090110 2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 8-(2-Methylpropanoyl), 2,3,5,7,15-penta-Ac C34H46O14 678.288756 NA MeJP NA NA +MJ090111 4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, Hepta-Ac C34H46O14 678.288756 NA MeJP NA NA +MJ090112 Meliacarpinin; 11-Methoxy, 1-(2-methylpropanoyl), 3-Ac C34H46O14 678.288756 NA MeJP NA NA +MJ090113 Zaragozic acid D C34H46O14 678.288756 NA MeJP NA NA +PJ015629 GTLEEM C27H46N6O12S 678.2895 NA PeJP NA NA +PJ015630 GPLMMM C28H50N6O7S3 678.2903 NA PeJP NA NA +PJ015631 SCQRW C28H42N10O8S 678.2908 NA PeJP NA NA +PJ015632 SSSNER C24H42N10O13 678.2933 NA PeJP NA NA +PJ015633 NQMMR C25H46N10O8S2 678.2942 NA PeJP NA NA +PJ015634 GCKWW C33H42N8O6S 678.2948 NA PeJP NA NA +PJ015635 GSSDKW C29H42N8O11 678.2973 NA PeJP NA NA +PJ015636 GGGGGVEF C29H42N8O11 678.2974 NA PeJP NA NA +PJ015637 GSQKEM C26H46N8O11S 678.3007 NA PeJP NA NA +PJ015638 PVDYW C34H42N6O9 678.3014 NA PeJP NA NA +PJ015639 TLEMW C31H46N6O9S 678.3047 NA PeJP NA NA +PJ015640 CNMRR C24H46N12O7S2 678.3054 NA PeJP NA NA +PJ015641 STTLEE C27H46N6O14 678.3072 NA PeJP NA NA +PJ015642 GVLEMM C28H50N6O9S2 678.3081 NA PeJP NA NA +PJ015643 GSSSRW C28H42N10O10 678.3086 NA PeJP NA NA +PJ015644 GSTQMR C25H46N10O10S 678.3119 NA PeJP NA NA +PJ015645 AQQFW C33H42N8O8 678.3126 NA PeJP NA NA +PJ015646 SQKMW C30H46N8O8S 678.3159 NA PeJP NA NA +PJ015647 GGTKMW C30H46N8O8S 678.316 NA PeJP NA NA +PJ015648 SSTQKE C26H46N8O13 678.3184 NA PeJP NA NA +PJ015649 GGSTTKE C26H46N8O13 678.3185 NA PeJP NA NA +PJ015650 LEMMR C27H50N8O8S2 678.3193 NA PeJP NA NA +PJ015651 TEHHR C27H42N12O9 678.3198 NA PeJP NA NA +PJ015652 PVMFW C35H46N6O6S 678.32 NA PeJP NA NA +PJ015653 GPTLEY C31H46N6O11 678.3225 NA PeJP NA NA +PJ015654 GSTCRR C24H46N12O9S 678.3232 NA PeJP NA NA +PJ015655 VLMMW C32H50N6O6S2 678.3233 NA PeJP NA NA +PJ015656 GNFRW C32H42N10O7 678.3238 NA PeJP NA NA +3504 ACE inhibitor (bCN fr,59-64) VYPFPG 678.324 ACE inhibitor Inhouse_peptide NA peptide +PJ015657 VVTTEM C28H50N6O11S 678.3258 NA PeJP NA NA +PJ015658 SSLLEM C28H50N6O11S 678.3259 NA PeJP NA NA +MJ090114 Akaterpin C36H54O8S2 678.32601 NA MeJP NA NA +MJ090115 Toxiusol C36H54O8S2 678.32601 NA MeJP NA NA +PJ015659 SCKRW C29H46N10O7S 678.3272 NA PeJP NA NA +PJ015660 SSSDKR C25H46N10O12 678.3297 NA PeJP NA NA +PJ015661 NKMMR C26H50N10O7S2 678.3306 NA PeJP NA NA +PJ015662 GSTTKW C30H46N8O10 678.3337 NA PeJP NA NA +PJ015663 GSKKEM C27H50N8O10S 678.3371 NA PeJP NA NA +PJ015664 PTLYW C35H46N6O8 678.3377 NA PeJP NA NA +MJ090116 Antibiotic A 54556; Antibiotic A 54556E C35H46N6O8 678.337712 NA MeJP NA NA +PJ015665 VMHHR C28H46N12O6S 678.3384 NA PeJP NA NA +PJ015666 SSSSRR C24H46N12O11 678.3409 NA PeJP NA NA +PJ015667 GPVLMY C32H50N6O8S 678.3411 NA PeJP NA NA +MJ090117 Ervafolidine; 19'R-Hydroxy C40H46N4O6 678.341735 NA MeJP NA NA +MJ090118 Ervafolidine; 19'S-Hydroxy, 3-epimer C40H46N4O6 678.341735 NA MeJP NA NA +PJ015668 ATLLMM C29H54N6O8S2 678.3445 NA PeJP NA NA +PJ015669 VNQRY C29H46N10O9 678.3449 NA PeJP NA NA +PJ015670 GGVQRY C29H46N10O9 678.345 NA PeJP NA NA +MJ090119 Sucrose; 1',2,3',6'-Tetrakis(3-methylbutanoyl) C32H54O15 678.346271 NA MeJP NA NA +MJ090120 Sucrose; 2,3',6'-Tris(3-methylbutanoyl), 1'-(2S-methylbutanoyl) C32H54O15 678.346271 NA MeJP NA NA +MJ090121 Sucrose; 2,3,4-Tris(3-methylpentanoyl)(S-), 6-Ac C32H54O15 678.346271 NA MeJP NA NA +PJ015671 GSTKMR C26H50N10O9S 678.3483 NA PeJP NA NA +PJ015672 AQKFW C34H46N8O7 678.349 NA PeJP NA NA +PJ015673 SKKMW C31H50N8O7S 678.3523 NA PeJP NA NA +PJ015674 GPCKKF C31H50N8O7S 678.3524 NA PeJP NA NA +PJ015675 SSTKKE C27H50N8O12 678.3548 NA PeJP NA NA +PJ015676 AAKKMM C28H54N8O7S2 678.3557 NA PeJP NA NA +PJ015677 GQRRY C28H46N12O8 678.3562 NA PeJP NA NA +PJ015678 AALLEY C32H50N6O10 678.3589 NA PeJP NA NA +MJ090122 Bastaxanthol; 16'-Deoxy, 3'?-alcohol, 3-O-sulfate C40H54O7S 678.359024 NA MeJP NA NA +MJ090123 1,3,14,20-Tetrahydroxywitha-5,24-dienolide, 3-O-?-D-Glucopyranoside, 1-Ac C36H54O12 678.361527 NA MeJP NA NA +MJ090124 2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione, 23,24-Dihydro, 2-O-?-D-glucopyranoside C36H54O12 678.361527 NA MeJP NA NA +MJ090125 2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 2-O-?-D-Glucopyranoside C36H54O12 678.361527 NA MeJP NA NA +MJ090126 2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-(6-Methyloctanoyl), 3-angeloyl, 8-(2-methylbutanoyl), 10-Ac C36H54O12 678.361527 NA MeJP NA NA +MJ090127 2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucuronopyranoside C36H54O12 678.361527 NA MeJP NA NA +MJ090128 3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-sarmentoside] C36H54O12 678.361527 NA MeJP NA NA +MJ090129 Ceanothic acid; 27-Carboxylic acid, 28-O-?-D-glucopyranosyl ester C36H54O12 678.361527 NA MeJP NA NA +MJ090130 Fevicordin F; O25-Me, 2-O-?-D-glucopyranoside C36H54O12 678.361527 NA MeJP NA NA +MJ090131 Gitaloxigenin; 3-O-[D-Digitoxopyranosyl-(1?4)-D-digitoxopyranoside] C36H54O12 678.361527 NA MeJP NA NA +MJ090132 Miyakolide C36H54O12 678.361527 NA MeJP NA NA +MJ090133 Oleagenin; 3-O-[?-D-Glucopyranosyl(1?4)-D-diginoside] C36H54O12 678.361527 NA MeJP NA NA +MJ090134 Premyrsinol; 5-(2-Methylbutanoyl), 17-(2-methylpropanoyl), 3-propanoyl, 7,13-di-Ac C36H54O12 678.361527 NA MeJP NA NA +PJ015679 TTTLLM C29H54N6O10S 678.3622 NA PeJP NA NA +MJ090135 Cholestane-3,6,8,15,24-pentol, 24-O-(3-O-Methyl-4-O-sulfo-?-D-xylopyranoside) C33H58O12S 678.364898 NA MeJP NA NA +MJ090136 Cholestane-3,6,8,15,24-pentol, 24-O-(3-O-Methyl-5-sulfato-?-D-xylofuranoside) C33H58O12S 678.364898 NA MeJP NA NA +MJ090137 Cholestane-3,6,8,15,24-pentol, 24-(3-O-Methyl-5-O-sulfo-?-L-arabinofuranoside) C33H58O12S 678.364898 NA MeJP NA NA +MJ090138 Cholestane-3,6,8,15,24-pentol, 24-O-(3-O-Methyl-?-L-arabinofuranoside), 6-sulfate C33H58O12S 678.364898 NA MeJP NA NA +PJ015680 SSTTKR C26H50N10O11 678.3661 NA PeJP NA NA +PJ015681 PNHRR C27H46N14O7 678.3674 NA PeJP NA NA +3562 NA RKNVY 678.3689 ACE inhibitor Inhouse_peptide NA peptide +PJ015682 VLERY C31H50N8O9 678.3701 NA PeJP NA NA +PJ015683 ATTKKM C28H54N8O9S 678.3735 NA PeJP NA NA +PJ015684 VVLYW C36H50N6O7 678.3741 NA PeJP NA NA +PJ015685 GVLLMF C33H54N6O7S 678.3775 NA PeJP NA NA +3138 esculentin RTGIDIAGCKIKGEC 678.3784 MH2+ Inhouse_peptide NA peptide +PJ015686 VNKRY C30H50N10O8 678.3813 NA PeJP NA NA +PJ015687 GGAPLKH C30H50N10O8 678.3814 NA PeJP NA NA +MJ090139 Gingerglycolipid A; 15',16'-Dihydro C33H58O14 678.382656 NA MeJP NA NA +PJ015688 AKKFW C35H50N8O6 678.3854 NA PeJP NA NA +PJ015689 LLMFR C32H54N8O6S 678.3887 NA PeJP NA NA +PJ015690 TTTTKK C28H54N8O11 678.3912 NA PeJP NA NA +PJ015691 GKRRY C29H50N12O7 678.3926 NA PeJP NA NA +PJ015692 SVVVLY C33H54N6O9 678.3952 NA PeJP NA NA +PJ015693 GTLLLY C33H54N6O9 678.3953 NA PeJP NA NA +MJ090140 16,23-Epoxycycloart-7-ene-3,15,16,24,25-pentol, 24-Ac, 3-O-?-D-xylopyranoside C37H58O11 678.397912 NA MeJP NA NA +MJ090141 16,23-Epoxycycloart-7-ene-3,15,16,24,25-pentol, 24-Ac, 3-O-?-L-arabinopyranoside C37H58O11 678.397912 NA MeJP NA NA +MJ090142 16,23-Epoxycycloart-7-ene-3,15,16,24,25-pentol, 24-Ac, 3-O-?-D-xylopyranoside C37H58O11 678.397912 NA MeJP NA NA +MJ090143 16,23-Epoxycycloart-7-ene-3,15,16,24,25-pentol, 24-Ac, 3-O-?-L-arabinopyranoside C37H58O11 678.397912 NA MeJP NA NA +MJ090144 16,23:22,25-Diepoxycycloart-7-ene-3,12,23,24-tetrol, 7?,8-Dihydro, 12-Ac, 3-O-?-D-xylopyranoside C37H58O11 678.397912 NA MeJP NA NA +MJ090145 2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside, 23-Me ester C37H58O11 678.397912 NA MeJP NA NA +MJ090146 24,25-Epoxy-3,7,15,23-tetrahydroxycycloartan-16-one, 3-O-?-D-Xylopyranoside, 23-Ac C37H58O11 678.397912 NA MeJP NA NA +MJ090147 24,28-Epoxystigmasta-8,9(11)-diene-3,16,23,25-tetrol, 3-O-?-D-Glucopyranoside, 23-Ac C37H58O11 678.397912 NA MeJP NA NA +MJ090148 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C37H58O11 678.397912 NA MeJP NA NA +MJ090149 3,19-Dihydroxy-12-ursene-24,28-dioic acid, 28-O-(6-O-Methyl-?-D-glucopyranosyl) ester C37H58O11 678.397912 NA MeJP NA NA +MJ090150 3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucopyranoside, 30-Me ester C37H58O11 678.397912 NA MeJP NA NA +MJ090151 Cimigenol; 12?-Acetoxy, 3-O-?-L-arabinopyranoside C37H58O11 678.397912 NA MeJP NA NA +MJ090152 Cimigenol; 1?-Hydroxy, 3-O-xylopyranoside, 25-Ac C37H58O11 678.397912 NA MeJP NA NA +MJ090153 Cimigenol; 7?-Hydroxy, 3-O-?-D-xylopyranoside, 25-Ac C37H58O11 678.397912 NA MeJP NA NA +MJ090154 Shengmanol; 1?-Hydroxy, 23-Ac, 3-O-?-D-xylopyranoside C37H58O11 678.397912 NA MeJP NA NA +PJ015694 LQKKY C32H54N8O8 678.4065 NA PeJP NA NA +MJ090155 Sarcophytoic acid; Me ester C41H58O8 678.413168 NA MeJP NA NA +MJ090156 Presecamine; Dihydro C42H54N4O4 678.414506 NA MeJP NA NA +MJ090157 Secamine; 15,20-Dihydro/15',20'-dihydro C42H54N4O4 678.414506 NA MeJP NA NA +PJ015695 TKKFR C31H54N10O7 678.4177 NA PeJP NA NA +MJ090158 Iejimalide A C40H58N2O7 678.424402 NA MeJP NA NA +MJ090159 22,25-Epoxycycloartane-3,16,24-triol, 3-O-?-D-Glucopyranoside, 24-Ac C38H62O10 678.434298 NA MeJP NA NA +MJ090160 Cumingianoside F C38H62O10 678.434298 NA MeJP NA NA +MJ090161 Cumingianoside G; 25-Deoxy, 25,26-didehydro, 3-Ac C38H62O10 678.434298 NA MeJP NA NA +PJ015696 LKKKY C33H58N8O7 678.4429 NA PeJP NA NA +MJ090162 Variabilin, 18-O-(11-Methyloctadecanoyl) C44H70O5 678.522325 NA MeJP NA NA +MJ090163 1-Heptacosene-4,6,8,10,12,14,16,18,20,22-decol, Deca-Me ether C37H74O10 678.528198 NA MeJP NA NA +MJ090164 12-Oleanene-3,11-diol, 11-Ketone, 3-hexadecanoyl C46H78O3 678.595096 NA MeJP NA NA +MJ090165 12-Ursene-3,11-diol, 11-Ketone, 3-hexadecanoyl C46H78O3 678.595096 NA MeJP NA NA +MJ090166 Marsformoxide A; Deacetyl, 3-O-palmitoyl C46H78O3 678.595096 NA MeJP NA NA +HMDB05217 DG(20:0/20:1(11Z)/0:0)[iso2] C43H82O5 678.61621 http://www.hmdb.ca/metabolites/HMDB05217 HMDB NA NA +HMDB05217 DG(20:0/20:1(11Z)/0:0)[iso2] C43H82O5 678.61621 HMDB05217 PFEM_hmdb_metabocards_official NA NA +HMDB07123 DG(16:0/24:1(15Z)/0:0) C43H82O5 678.616211 NA HMDB2010 NA NA +HMDB07151 DG(16:1(9Z)/24:0/0:0) C43H82O5 678.616211 NA HMDB2010 NA NA +HMDB07174 DG(18:0/22:1(13Z)/0:0) C43H82O5 678.616211 NA HMDB2010 NA NA +HMDB07202 DG(18:1(11Z)/22:0/0:0) C43H82O5 678.616211 NA HMDB2010 NA NA +HMDB07231 DG(18:1(9Z)/22:0/0:0) C43H82O5 678.616211 NA HMDB2010 NA NA +HMDB07369 DG(20:0/20:1(11Z)/0:0) C43H82O5 678.616211 NA HMDB2010 NA NA +HMDB07397 DG(20:1(11Z)/20:0/0:0) C43H82O5 678.616211 NA HMDB2010 NA NA +HMDB07594 DG(22:0/18:1(11Z)/0:0) C43H82O5 678.616211 NA HMDB2010 NA NA +HMDB07595 DG(22:0/18:1(9Z)/0:0) C43H82O5 678.616211 NA HMDB2010 NA NA +HMDB07622 DG(22:1(13Z)/18:0/0:0) C43H82O5 678.616211 NA HMDB2010 NA NA +HMDB07795 DG(24:0/16:1(9Z)/0:0) C43H82O5 678.616211 NA HMDB2010 NA NA +HMDB07823 DG(24:1(15Z)/16:0/0:0) C43H82O5 678.616211 NA HMDB2010 NA NA +HMDB06732 Cholesteryl eicosenoic acid C47H82O2 678.63147 http://www.hmdb.ca/metabolites/HMDB06732 HMDB NA NA +HMDB06732 Cholesteryl eicosenoic acid C47H82O2 678.63147 HMDB06732 PFEM_hmdb_metabocards_official NA NA +HMDB05193 CE(20:1(11Z)) C47H82O2 678.63147 NA HMDB2010 NA NA +MJ090167 12-Oleanen-3-ol, O-Heptadecanoyl C47H82O2 678.631481 NA MeJP NA NA +MJ090168 20(29)-Lupen-3-ol, Heptadecanoyl C47H82O2 678.631481 NA MeJP NA NA +MJ090169 24-Methylcycloart-25-en-3-ol, Hexadecanoyl C47H82O2 678.631481 NA MeJP NA NA +MJ090170 Stigmasta-5,22-dien-3-ol, Octadecanoyl C47H82O2 678.631481 NA MeJP NA NA +MJ090171 20(29)-Lupen-3-ol, Octadecyl ether C48H86O 678.667867 NA MeJP NA NA +EUR370 Vitamin B12 F4 F4 678.796275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR370 Vitamine B12 F4 NA 678.796275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR370 Vitamin B12 F4 F4 678.796275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR370 Vitamine B12 F4 NA 678.796275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR370 Vitamin B12 F4 F4 678.796275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR370 Vitamine B12 F4 NA 678.796275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR370 Vitamin B12 F4 F4 678.796275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR370 Vitamin B12 F4 F4 678.796275 standards wishlist analysés sur QTOF HMDB NA NA +EUR370 Vitamin B12 F4 F4 678.796275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR370 Vitamine B12 F4 NA 678.796275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR370 Vitamin B12 F4 F4 678.796275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR370 Vitamin B12 F4 F4 678.796275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ090172 UDP-N-acetylmuramate C20H31N3O19P2 679.102698 NA MeJP NA NA +MetaCyc04045 UDP-N-acetylmuramate [uridine diphosphate N-acetylmuramic acid;UDP-N-acetylmuramic acid;UDP-N-acetyl-D-muramate;UDP-MurNAc;UDP-N-acetylmuramoyl;] C20H31N3O19P2 679.102699 NA metacyc NA NA +C01050 UDP-N-acetylmuramate C20H31N3O19P2 679.1027 NA KEGG NA NA +HMDB11720 UDP-N-acetylmuraminate C20H31N3O19P2 679.102722 NA HMDB2010 NA NA +FL7AAAGL0031 Pelargonidin 3,5-di-(6-acetylglucoside) C31H35O17 679.18742 161992-99-0 knapsack NA NA +PJ015697 SCCCQH C23H37N9O9S3 679.1877 NA PeJP NA NA +PJ015698 SNDDDD C23H33N7O17 679.1933 NA PeJP NA NA +PJ015699 PCCNDE C24H37N7O12S2 679.1942 NA PeJP NA NA +PJ015700 CCEYY C29H37N5O10S2 679.1982 NA PeJP NA NA +PJ015701 GSSSCCH C23H37N9O11S2 679.2054 NA PeJP NA NA +PJ015702 GPCCDW C28H37N7O9S2 679.2094 NA PeJP NA NA +MJ090173 Mayotamide A; Lower homologue C29H41N7O4S4 679.210285 NA MeJP NA NA +PJ015703 ACNDEE C24H37N7O14S 679.2119 NA PeJP NA NA +PJ015704 GNDDEM C24H37N7O14S 679.212 NA PeJP NA NA +PJ015705 GPPTCCC C25H41N7O9S3 679.2128 NA PeJP NA NA +PJ015706 GCCNHF C27H37N9O8S2 679.2207 NA PeJP NA NA +PJ015707 GCDDDR C23H37N9O13S 679.2232 NA PeJP NA NA +PJ015708 SCCCKH C24H41N9O8S3 679.224 NA PeJP NA NA +PJ015709 NDDMW C28H37N7O11S 679.2272 NA PeJP NA NA +PJ015710 SSNDEE C24H37N7O16 679.2297 NA PeJP NA NA +PJ015711 SPCNEM C25H41N7O11S2 679.2306 NA PeJP NA NA +PJ015712 MMMMH C26H45N7O6S4 679.2314 NA PeJP NA NA +PJ015713 TCMYY C30H41N5O9S2 679.2346 NA PeJP NA NA +PJ015714 GSCNNW C27H37N9O10S 679.2384 NA PeJP NA NA +PJ015715 GGGGGSCW C27H37N9O10S 679.2385 NA PeJP NA NA +PJ015716 GSSSNND C23H37N9O15 679.2409 NA PeJP NA NA +PJ015717 GGGGGSSSD C23H37N9O15 679.241 NA PeJP NA NA +PJ015718 SPCCDR C24H41N9O10S2 679.2418 NA PeJP NA NA +PJ015719 GCEWW C32H37N7O8S 679.2425 NA PeJP NA NA +PJ015720 GSSDEW C28H37N7O13 679.245 NA PeJP NA NA +PJ015721 GSPCMW C29H41N7O8S2 679.2458 NA PeJP NA NA +PJ015722 GSQEEM C25H41N7O13S 679.2483 NA PeJP NA NA +PJ015723 GDYYY C33H37N5O11 679.249 NA PeJP NA NA +PJ015724 GPNMMM C26H45N7O8S3 679.2492 NA PeJP NA NA +PJ015725 GCCNQR C23H41N11O9S2 679.253 NA PeJP NA NA +PJ015726 GGGCCQR C23H41N11O9S2 679.2531 NA PeJP NA NA +MJ090174 Cineromycin A C37H42ClNO9 679.254809 NA MeJP NA NA +PJ015727 GNNNDF C27H37N9O12 679.2562 NA PeJP NA NA +PJ015728 CWWW C36H37N7O5S 679.2577 NA PeJP NA NA +PJ015729 GSDDMR C24H41N9O12S 679.2596 NA PeJP NA NA +PJ015730 SSDWW C32H37N7O10 679.2602 NA PeJP NA NA +PJ015731 APCCMR C25H45N9O7S3 679.2604 NA PeJP NA NA +MJ090175 Ulicyclamide; 10,11?-Dihydro, 7,14-diepimer C33H41N7O5S2 679.261058 NA MeJP NA NA +MJ090176 Ulicyclamide; 10,11?-Dihydro, 7,32-diepimer C33H41N7O5S2 679.261058 NA MeJP NA NA +MJ090177 Altromycin H C36H41NO12 679.262875 NA MeJP NA NA +PJ015732 SQEMW C29H41N7O10S 679.2636 NA PeJP NA NA +PJ015733 CHHHF C30H37N11O6S 679.2649 NA PeJP NA NA +PJ015734 SSTQEE C25H41N7O15 679.2661 NA PeJP NA NA +PJ015735 AAQEMM C26H45N7O10S2 679.267 NA PeJP NA NA +PJ015736 GSNEHH C26H37N11O11 679.2674 NA PeJP NA NA +PJ015737 GMFYY C34H41N5O8S 679.2676 NA PeJP NA NA +PJ015738 SSCNNR C23H41N11O11S 679.2708 NA PeJP NA NA +PJ015739 SCERW C28H41N9O9S 679.2748 NA PeJP NA NA +PJ015740 SSSDER C24H41N9O14 679.2773 NA PeJP NA NA +PJ015741 NEMMR C25H45N9O9S2 679.2782 NA PeJP NA NA +PJ015742 GTMWW C33H41N7O7S 679.2788 NA PeJP NA NA +PJ015743 GAPCFW C33H41N7O7S 679.2789 NA PeJP NA NA +PJ015744 GSTTEW C29H41N7O12 679.2813 NA PeJP NA NA +PJ015745 GGGPTEY C29H41N7O12 679.2814 NA PeJP NA NA +PJ015746 VNMMW C30H45N7O7S2 679.2822 NA PeJP NA NA +PJ015747 SNHHW C30H37N11O8 679.2827 NA PeJP NA NA +PJ015748 GSKEEM C26H45N7O12S 679.2847 NA PeJP NA NA +PJ015749 ATYYY C34H41N5O10 679.2853 NA PeJP NA NA +PJ015750 STFYY C34H41N5O10 679.2854 NA PeJP NA NA +PJ015751 APCKMM C27H49N7O7S3 679.2856 NA PeJP NA NA +PJ015752 QQMHH C27H41N11O8S 679.286 NA PeJP NA NA +PJ015753 GAQMHH C27H41N11O8S 679.2861 NA PeJP NA NA +PJ015754 CDMRR C24H45N11O8S2 679.2894 NA PeJP NA NA +PJ015755 NQQQY C28H41N9O11 679.2926 NA PeJP NA NA +PJ015756 CCLRW C29H45N9O6S2 679.2934 NA PeJP NA NA +PJ015757 GMMRW C29H45N9O6S2 679.2935 NA PeJP NA NA +PJ015758 ASSEMR C25H45N9O11S 679.2959 NA PeJP NA NA +PJ015759 GSTEMR C25H45N9O11S 679.296 NA PeJP NA NA +PJ015760 STTWW C33H41N7O9 679.2966 NA PeJP NA NA +PJ015761 CQHHR C26H41N13O7S 679.2973 NA PeJP NA NA +MJ090178 Rifamycin S; 8-Deoxy C37H45NO11 679.299261 NA MeJP NA NA +PJ015762 SKEMW C30H45N7O9S 679.3 NA PeJP NA NA +PJ015763 GFFFY C38H41N5O7 679.3006 NA PeJP NA NA +PJ015764 SSTKEE C26H45N7O14 679.3025 NA PeJP NA NA +PJ015765 AAKEMM C27H49N7O9S2 679.3033 NA PeJP NA NA +PJ015766 GVDKMM C27H49N7O9S2 679.3034 NA PeJP NA NA +PJ015767 NNNRY C27H41N11O10 679.3038 NA PeJP NA NA +PJ015768 GDFRW C32H41N9O8 679.3078 NA PeJP NA NA +PJ015769 STMRW C29H45N9O8S 679.3112 NA PeJP NA NA +PJ015770 AAFWW C37H41N7O6 679.3119 NA PeJP NA NA +MJ090179 Callipeltoside B C35H50ClNO10 679.312324 NA MeJP NA NA +PJ015771 SSTTER C25H45N9O13 679.3137 NA PeJP NA NA +PJ015772 DKMMR C26H49N9O8S2 679.3146 NA PeJP NA NA +PJ015773 GSSHHR C26H41N13O9 679.3151 NA PeJP NA NA +PJ015774 PCKFW C34H45N7O6S 679.3152 NA PeJP NA NA +PJ015775 SSSTLW C30H45N7O11 679.3177 NA PeJP NA NA +PJ015776 CLKMW C31H49N7O6S2 679.3186 NA PeJP NA NA +MJ090180 Tetrin A; 5-Deoxy, 4,5-epoxide C34H49NO13 679.32039 NA MeJP NA NA +PJ015777 ATTKEM C27H49N7O11S 679.3211 NA PeJP NA NA +PJ015778 QKMHH C28H45N11O7S 679.3224 NA PeJP NA NA +PJ015779 APPCHR C28H45N11O7S 679.3225 NA PeJP NA NA +PJ015780 SMMRR C25H49N11O7S2 679.3258 NA PeJP NA NA +PJ015781 VNERY C29H45N9O10 679.329 NA PeJP NA NA +MJ090181 Thiazinotrienomycin F; 32,33-Dihydro C37H49N3O7S 679.329121 NA MeJP NA NA +PJ015782 LHHHH C30H41N13O6 679.3303 NA PeJP NA NA +PJ015783 SSSLMR C26H49N9O10S 679.3323 NA PeJP NA NA +PJ015784 SPKYW C34H45N7O8 679.333 NA PeJP NA NA +PJ015785 CKHHR C27H45N13O6S 679.3337 NA PeJP NA NA +PJ015786 AAPKMY C31H49N7O8S 679.3364 NA PeJP NA NA +PJ015787 SSSSSLL C27H49N7O13 679.3388 NA PeJP NA NA +PJ015788 TTTTKE C27H49N7O13 679.3389 NA PeJP NA NA +PJ015789 GTLKMM C28H53N7O8S2 679.3397 NA PeJP NA NA +PJ015790 GERRY C28H45N11O9 679.3402 NA PeJP NA NA +PJ015791 GVRYW C33H45N9O7 679.3442 NA PeJP NA NA +PJ015792 VQMFR C30H49N9O7S 679.3476 NA PeJP NA NA +PJ015793 TTTTTR C26H49N9O12 679.3501 NA PeJP NA NA +PJ015794 ACCKKK C27H53N9O7S2 679.351 NA PeJP NA NA +8086 peptide derived from tuna cooking juice PKAVHE 679.351 ACE inhibitor Inhouse_peptide NA peptide +PJ015795 PDHRR C27H45N13O8 679.3514 NA PeJP NA NA +3054 NA RKDVY 679.3529 celiac toxic Inhouse_peptide NA peptide +PJ015796 LQKEY C31H49N7O10 679.3541 NA PeJP NA NA +3661 NA LQGCTLRAWRAGMC 679.3552 MH2+ Inhouse_peptide NA peptide +PJ015797 RRYW C32H45N11O6 679.3555 NA PeJP NA NA +PJ015798 STTLKM C28H53N7O10S 679.3575 NA PeJP NA NA +PJ015799 AMFRR C29H49N11O6S 679.3588 NA PeJP NA NA +PJ015800 TLQRY C30H49N9O9 679.3653 NA PeJP NA NA +PJ015801 VDKRY C30H49N9O9 679.3654 NA PeJP NA NA +PJ015802 SSCKKK C27H53N9O9S 679.3687 NA PeJP NA NA +MJ090182 Glycylalanylprolylmethionylphenylalanylvalinamide; 2-L-Valine, 4-L-tyrosine analogue C35H49N7O7 679.369346 NA MeJP NA NA +PJ015803 ALKYW C35H49N7O7 679.3694 NA PeJP NA NA +PJ015804 AALKMF C32H53N7O7S 679.3728 NA PeJP NA NA +PJ015805 SVRRY C29H49N11O8 679.3766 NA PeJP NA NA +PJ015806 PLKHW C34H49N9O6 679.3806 NA PeJP NA NA +PJ015807 VKMFR C31H53N9O6S 679.384 NA PeJP NA NA +MJ090183 Nodulisporic acid C43H53NO6 679.387288 NA MeJP NA NA +PJ015808 LKKEY C32H53N7O9 679.3905 NA PeJP NA NA +PJ015809 TLKRY C31H53N9O8 679.4017 NA PeJP NA NA +PJ015810 GGALLLH C31H53N9O8 679.4018 NA PeJP NA NA +PJ015811 AALLHR C30H53N11O7 679.413 NA PeJP NA NA +PJ015812 VLHRR C29H53N13O6 679.4242 NA PeJP NA NA +PJ015813 PPLLLQ C33H57N7O8 679.4269 NA PeJP NA NA +MJ090184 3,23,28-Trihydroxy-30-norlanost-8-en-29-oic acid, 3-(N-Acetyl-?-D-glucosaminide) C37H61NO10 679.429547 NA MeJP NA NA +PJ015814 PPVVLR C32H57N9O7 679.4381 NA PeJP NA NA +HMDB12330 PS(14:0/14:0) C34H66NO10P 679.442444 NA HMDB2010 NA NA +EUR533 14 :0 PS F1 NA 679.442925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR533 14 :0 PS F1 NA 679.442925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR533 14 :0 PS F1 NA 679.442925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR533 14 :0 PS F1 NA 679.442925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR533 14 :0 PS F1 NA 679.442925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR533 14 :0 PS F1 NA 679.442925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR533 14 :0 PS F1 NA 679.442925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR533 14 :0 PS F1 NA 679.442925 standards wishlist analysés sur QTOF HMDB NA NA +EUR533 14 :0 PS F1 NA 679.442925 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR533 14 :0 PS F1 NA 679.442925 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR533 14 :0 PS F1 NA 679.442925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR533 14 :0 PS F1 NA 679.442925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ015815 PPLLLK C34H61N7O7 679.4633 NA PeJP NA NA +HMDB11771 Cer(d18:0/26:0) C44H89NO3 679.684265 NA HMDB2010 NA NA +3994 f(1-11) of bovine lactoferrin APRKNVRWCTI 679.85295 MH2+ Inhouse_peptide NA peptide +7726 NA RIGKMVSFPRIG 679.8832 MH2+ Inhouse_peptide NA peptide +MJ090185 Swertipunicoside; 3-O-De-Me C32H24O17 680.101349 NA MeJP NA NA +PJ015816 CCCCCF C24H36N6O7S5 680.1249 NA PeJP NA NA +PJ015817 SCCCCY C24H36N6O9S4 680.1427 NA PeJP NA NA +FL3FACGS0053 Luteolin 7-(6''-malonylneohesperidoside) C30H32O18 680.15886 127350-65-6 knapsack NA NA +FL5FAAGS0113 Kaempferol 3-(6G-malonylneohesperidoside);3-[[6-O-(Carboxyacetyl)-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C30H32O18 680.15886 528606-92-0 knapsack NA NA +MJ090186 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-6''-O-malonyl-?-D-glucopyranoside] C30H32O18 680.158864 NA MeJP NA NA +MJ090187 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside), 5-O-?-D-glucopyranoside C30H33O18(+) 680.158864 NA MeJP NA NA +MJ090188 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-malonyl-?-D-glucopyranoside) C30H33O18(+) 680.158864 NA MeJP NA NA +MJ090189 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside] C30H33O18(+) 680.158864 NA MeJP NA NA +MJ090190 N-[5-[3-[(4-Chlorophenyl)sulfonyl]propyl]-2-(1H-tetrazol-5-ylmethoxy)phenyl]-3-[[4-(1,1-dimethylethyl)-2-thiazolyl]methoxy]benzamide C32H33ClN6O5S2 680.164237 NA MeJP NA NA +PJ015818 SCCCEH C23H36N8O10S3 680.1717 NA PeJP NA NA +MJ090191 2',3,3',4,4'-Pentahydroxychalcone, 4'-O-[4-Hydroxycinnamoyl-(?6)-2,4-di-O-acetyl-?-D-glucopyranoside] C34H32O15 680.17412 NA MeJP NA NA +MJ090192 2',3,3',4,4'-Pentahydroxychalcone, 4'-O-[4-Hydroxycinnamoyl-(?6)-3,4-di-O-acetyl-?-D-glucopyranoside] C34H32O15 680.17412 NA MeJP NA NA +MJ090193 2',4',5,5',6,7-Hexahydroxyisoflavone; 4',5'-Methylene, 2',5,6-tri-Me ether, 7-O-(2-O-p-coumaroyl-?-D-glucopyranoside) C34H32O15 680.17412 NA MeJP NA NA +MJ090194 2,5-Dihydroxybenzyl 1,2,6-trihydroxy-5-oxo-3-cyclohexene-1-carboxylate; 2'-O-(2,6-Di-O-benzoyl-?-D-glucopyranoside) C34H32O15 680.17412 NA MeJP NA NA +MJ090195 2,5-Dihydroxybenzyl 1,2,6-trihydroxy-5-oxo-3-cyclohexene-1-carboxylate; 2'-O-(4,6-Di-O-benzoyl-?-D-glucopyranoside) C34H32O15 680.17412 NA MeJP NA NA +MJ090196 2,5-Dihydroxybenzyl 1,2,6-trihydroxy-5-oxo-3-cyclohexene-1-carboxylate; 6-Benzoyl, 2'-O-(6-O-benzoyl-?-D-glucopyranoside) C34H32O15 680.17412 NA MeJP NA NA +MJ090197 Eumitrin A1 C34H32O15 680.17412 NA MeJP NA NA +MJ090198 Neosartorin C34H32O15 680.17412 NA MeJP NA NA +FL1C3CGS0008 Okanin 4'-(2'',4''-diacetyl-6''-p-coumarylglucoside) C34H32O15 680.17412 118853-82-0 knapsack NA NA +FL1C3CGS0009 Okanin 4'-(3'',4''-diacetyl-6''-p-coumarylglucoside) C34H32O15 680.17412 118853-81-9 knapsack NA NA +MJ090199 2-Methyl-5-(1,2,3,4-tetrahydroxybutyl)-3-furancarboxylic acid, Tetrakis(3-pyridinecarbonyl), Me ester C35H28N4O11 680.175457 NA MeJP NA NA +PJ015819 SDDDDD C23H32N6O18 680.1773 NA PeJP NA NA +PJ015820 PCCDDE C24H36N6O13S2 680.1782 NA PeJP NA NA +MJ090200 Cercosporin; 2'-Ac, 2''-benzoyl C38H32O12 680.189376 NA MeJP NA NA +PJ015821 GCCMMH C24H40N8O7S4 680.1903 NA PeJP NA NA +PJ015822 GDDDEM C24H36N6O15S 680.196 NA PeJP NA NA +PJ015823 CCNNNN C22H36N10O11S2 680.2007 NA PeJP NA NA +MJ090201 ?-D-Glucopyranuronosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-galactose C24H40O22 680.201122 NA MeJP NA NA +C10249 Canaliculatol C42H32O9 680.2046 NA KEGG NA NA +C10252 Copalliferol B C42H32O9 680.2046 NA KEGG NA NA +MJ090202 Ampelopsin C C42H32O9 680.204632 NA MeJP NA NA +MJ090203 Ampelopsin G C42H32O9 680.204632 NA MeJP NA NA +MJ090204 Amurensin G C42H32O9 680.204632 NA MeJP NA NA +MJ090205 Copalliferol A C42H32O9 680.204632 NA MeJP NA NA +MJ090206 Copalliferol B C42H32O9 680.204632 NA MeJP NA NA +MJ090207 Distichol C42H32O9 680.204632 NA MeJP NA NA +MJ090208 Gnetin E C42H32O9 680.204632 NA MeJP NA NA +MJ090209 Gnetin H C42H32O9 680.204632 NA MeJP NA NA +MJ090210 Gnetin I C42H32O9 680.204632 NA MeJP NA NA +MJ090211 Leachianol A C42H32O9 680.204632 NA MeJP NA NA +MJ090212 Leachianol B C42H32O9 680.204632 NA MeJP NA NA +MJ090213 Leachianol E C42H32O9 680.204632 NA MeJP NA NA +MJ090214 Miyabenol C C42H32O9 680.204632 NA MeJP NA NA +MJ090215 Parthenocissin B C42H32O9 680.204632 NA MeJP NA NA +MJ090216 Stemonoporol C42H32O9 680.204632 NA MeJP NA NA +MJ090217 Suffruticosol A C42H32O9 680.204632 NA MeJP NA NA +MJ090218 Suffruticosol C C42H32O9 680.204632 NA MeJP NA NA +MJ090219 Vitisin E C42H32O9 680.204632 NA MeJP NA NA +PJ015824 GCCDHF C27H36N8O9S2 680.2047 NA PeJP NA NA +PJ015825 SCNNDE C23H36N8O14S 680.2072 NA PeJP NA NA +PJ015826 STCCMH C24H40N8O9S3 680.2081 NA PeJP NA NA +PJ015827 DDDMW C28H36N6O12S 680.2112 NA PeJP NA NA +PJ015828 SSDDEE C24H36N6O17 680.2137 NA PeJP NA NA +PJ015829 SPCDEM C25H40N6O12S2 680.2146 NA PeJP NA NA +PJ015830 PPCCMM C26H44N6O7S4 680.2155 NA PeJP NA NA +MJ090220 ?-D-Fructofuranosyl ?-D-glucopyranosyl-(1?4)-D-glucopyranoside; 3'-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) C28H40O19 680.216379 NA MeJP NA NA +MJ090221 ?-D-Fructofuranosyl ?-D-glucopyranosyl-(1?4)-D-glucopyranoside; 6-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) C28H40O19 680.216379 NA MeJP NA NA +PJ015831 GSCNDW C27H36N8O11S 680.2225 NA PeJP NA NA +PJ015832 GSSSNDD C23H36N8O16 680.225 NA PeJP NA NA +MJ090222 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 9-O-(4-Hydroxy-E-cinnamoyl), 9'-O-(4-hydroxy-3-methoxy-E-cinnamoyl) C39H36O11 680.225761 NA MeJP NA NA +PJ015833 GNNDMM C24H40N8O11S2 680.2258 NA PeJP NA NA +PJ015834 GPDDDY C28H36N6O14 680.229 NA PeJP NA NA +PJ015835 PPCCDF C29H40N6O9S2 680.2298 NA PeJP NA NA +FL3FAGGI0001 3-(3-Methylbutyl)tricetin 5-neohesperidoside C32H40O16 680.23163 97165-53-2 knapsack NA NA +MJ090223 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-2-O-acetyl-?-D-glucopyranoside] C32H40O16 680.231635 NA MeJP NA NA +MJ090224 3,4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavone; 3-O-?-L-Rhamnopyranoside, 3''-O-?-D-glucopyranoside C32H40O16 680.231635 NA MeJP NA NA +MJ090225 Asplenetin; 5-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C32H40O16 680.231635 NA MeJP NA NA +MJ090226 Catalpol; 6-O-(2-E-Cinnamoyl-3-O-acetyl-?-L-rhamnopyranoside) C32H40O16 680.231635 NA MeJP NA NA +MJ090227 Catalpol; 6-O-(3-O-Acetyl-4-O-E-cinnamoyl-?-L-rhamnopyranoside) C32H40O16 680.231635 NA MeJP NA NA +MJ090228 Catalpol; 6-O-(3-O-Cinnamoyl-2-O-acetyl-?-L-rhamnopyranoside) C32H40O16 680.231635 NA MeJP NA NA +MJ090229 Sweroside; 6'-O-[4-Hydroxy-3-methoxycinnamoyl-(?4)-?-L-rhamnopyranosyl] C32H40O16 680.231635 NA MeJP NA NA +PJ015836 SVCDEE C25H40N6O14S 680.2323 NA PeJP NA NA +PJ015837 GSEEEM C25H40N6O14S 680.2324 NA PeJP NA NA +PJ015838 GPDMMM C26H44N6O9S3 680.2332 NA PeJP NA NA +PJ015839 GCCNER C23H40N10O10S2 680.2371 NA PeJP NA NA +MJ090230 chiro-Inositol, 3-Me, 2-O-[?-D-galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?6)-?-D-galactopyranoside] C25H44O21 680.237508 NA MeJP NA NA +MJ090231 chiro-Inositol, 4-Me, 2-O-[?-D-galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?6)-?-D-galactopyranoside] C25H44O21 680.237508 NA MeJP NA NA +PJ015840 GNNDDF C27H36N8O13 680.2402 NA PeJP NA NA +MJ090232 3''''-Benzyl-2'''''-hydroxyuvarinol C43H36O8 680.241018 NA MeJP NA NA +MJ090233 5''''-Benzyl-2'''''-hydroxyisouvarinol A C43H36O8 680.241018 NA MeJP NA NA +MJ090234 5''-Benzyl-2'''-hydroxyisouvarinol B C43H36O8 680.241018 NA MeJP NA NA +PJ015841 CNQMW C28H40N8O8S2 680.2411 NA PeJP NA NA +MJ090235 Tubocurarine(2+), Dichloride C37H42Cl2N2O6 680.241992 NA MeJP NA NA +MJ090236 Temoporfin C44H32N4O4 680.242355 NA MeJP NA NA +C11730 Temoporfin C44H32N4O4 680.2424 NA KEGG NA NA +PJ015842 SSNNEM C24H40N8O13S 680.2436 NA PeJP NA NA +PJ015843 PCCCQK C25H44N8O8S3 680.2445 NA PeJP NA NA +PJ015844 GCNNHH C25H36N12O9S 680.2449 NA PeJP NA NA +MJ090237 Pinus taeda Lignan trimer, 3,3'',4'-Tri-Me ether, 9,9',9''-tri-Ac C36H40O13 680.246891 NA MeJP NA NA +PJ015845 SEEMW C29H40N6O11S 680.2476 NA PeJP NA NA +PJ015846 SSTEEE C25H40N6O16 680.2501 NA PeJP NA NA +PJ015847 AAEEMM C26H44N6O11S2 680.251 NA PeJP NA NA +PJ015848 GSDEHH C26H36N10O12 680.2515 NA PeJP NA NA +PJ015849 CCNRW C27H40N10O7S2 680.2523 NA PeJP NA NA +PJ015850 SSCNDR C23H40N10O12S 680.2548 NA PeJP NA NA +PJ015851 GSSNMW C28H40N8O10S 680.2588 NA PeJP NA NA +PJ015852 GGGGAPCY C28H40N8O10S 680.2589 NA PeJP NA NA +PJ015853 GSSSSQE C24H40N8O15 680.2613 NA PeJP NA NA +PJ015854 DEMMR C25H44N8O10S2 680.2622 NA PeJP NA NA +PJ015855 PCEFW C33H40N6O8S 680.2629 NA PeJP NA NA +PJ015856 GSPEEY C29H40N6O13 680.2654 NA PeJP NA NA +PJ015857 VDMMW C30H44N6O8S2 680.2662 NA PeJP NA NA +PJ015858 SDHHW C30H36N10O9 680.2667 NA PeJP NA NA +MJ090238 Azadirachtin N C33H44O15 680.26802 NA MeJP NA NA +PJ015859 ATTEEM C26H44N6O13S 680.2687 NA PeJP NA NA +PJ015860 APTMMM C27H48N6O8S3 680.2696 NA PeJP NA NA +PJ015861 QEMHH C27H40N10O9S 680.2701 NA PeJP NA NA +PJ015862 GSCQMR C24H44N10O9S2 680.2734 NA PeJP NA NA +PJ015863 GCCDKR C24H44N10O9S2 680.2735 NA PeJP NA NA +PJ015864 CQHFF C32H40N8O7S 680.2741 NA PeJP NA NA +PJ015865 SSSSQW C28H40N8O12 680.2766 NA PeJP NA NA +PJ015866 CNKMW C29H44N8O7S2 680.2775 NA PeJP NA NA +PJ015867 SSNDKM C25H44N8O12S 680.28 NA PeJP NA NA +PJ015868 SPEYW C33H40N6O10 680.2806 NA PeJP NA NA +PJ015869 PCCCKK C26H48N8O7S3 680.2808 NA PeJP NA NA +PJ015870 CEHHR C26H40N12O8S 680.2813 NA PeJP NA NA +MJ090239 4(20),11-Taxadiene-1,2,5,7,9,10,13-heptol, 13-Ketone, 5E-cinnamoyl, 2,7,9,10-tetra-Ac C37H44O12 680.283276 NA MeJP NA NA +PJ015871 AAPEMY C30H44N6O10S 680.284 NA PeJP NA NA +PJ015872 GSCCRR C23H44N12O8S2 680.2847 NA PeJP NA NA +PJ015873 AMHHW C31H40N10O6S 680.2853 NA PeJP NA NA +PJ015874 TTTTEE C26H44N6O15 680.2865 NA PeJP NA NA +PJ015875 GTLEMM C27H48N6O10S2 680.2874 NA PeJP NA NA +PJ015876 NNDRY C27H40N10O11 680.2878 NA PeJP NA NA +PJ015877 GGGGAPEH C27H40N10O11 680.2879 NA PeJP NA NA +MJ090240 6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C30H48O17 680.28915 NA MeJP NA NA +PJ015878 NHHHH C28H36N14O7 680.2892 NA PeJP NA NA +PJ015879 SSSNMR C24H44N10O11S 680.2912 NA PeJP NA NA +PJ015880 GQQYW C32H40N8O9 680.2918 NA PeJP NA NA +PJ015881 GGAQYW C32H40N8O9 680.2919 NA PeJP NA NA +PJ015882 GSTCKW C29H44N8O9S 680.2952 NA PeJP NA NA +MJ090241 Chondramide A; 2'-Chloro C36H45ClN4O7 680.297677 NA MeJP NA NA +PJ015883 GSSSSKE C25H44N8O14 680.2977 NA PeJP NA NA +PJ015884 GSQKMM C26H48N8O9S2 680.2986 NA PeJP NA NA +PJ015885 PCLYW C34H44N6O7S 680.2992 NA PeJP NA NA +PJ015886 APPCFF C34H44N6O7S 680.2993 NA PeJP NA NA +PJ015887 LQEEY C30H44N6O12 680.3017 NA PeJP NA NA +PJ015888 GALEEY C30H44N6O12 680.3018 NA PeJP NA NA +PJ015889 TLMMW C31H48N6O7S2 680.3026 NA PeJP NA NA +PJ015890 TTHHW C31H40N10O8 680.3031 NA PeJP NA NA +MJ090242 3,14-Dihydroxy-19-oxocarda-4,20(22)-dienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] C34H48O14 680.304406 NA MeJP NA NA +PJ015891 STTLEM C27H48N6O12S 680.3051 NA PeJP NA NA +PJ015892 GVLMMM C28H52N6O7S3 680.306 NA PeJP NA NA +PJ015893 CQQFR C28H44N10O8S 680.3064 NA PeJP NA NA +PJ015894 NNMFR C28H44N10O8S 680.3065 NA PeJP NA NA +PJ015895 ASSSSSR C24H44N10O13 680.3089 NA PeJP NA NA +PJ015896 GSSSSTR C24H44N10O13 680.309 NA PeJP NA NA +MJ090243 8',11O-Bisisocorydine C40H44N2O8 680.309766 NA MeJP NA NA +MJ090244 8,8'-Bisisocorydine C40H44N2O8 680.309766 NA MeJP NA NA +MJ090245 Dehatriphine C40H44N2O8 680.309766 NA MeJP NA NA +MJ090246 Dehydrothalicarpine; O7'-De-Me C40H44N2O8 680.309766 NA MeJP NA NA +MJ090247 Pennsylpavoline; O1-Me C40H44N2O8 680.309766 NA MeJP NA NA +PJ015897 GSCKMR C25H48N10O8S2 680.3098 NA PeJP NA NA +PJ015898 CKHFF C33H44N8O6S 680.3105 NA PeJP NA NA +PJ015899 SSSSKW C29H44N8O11 680.313 NA PeJP NA NA +PJ015900 PMMFR C30H48N8O6S2 680.3139 NA PeJP NA NA +PJ015901 GPPHHH C30H40N12O7 680.3143 NA PeJP NA NA +PJ015902 SSTQKM C26H48N8O11S 680.3163 NA PeJP NA NA +PJ015903 GGSTTKM C26H48N8O11S 680.3164 NA PeJP NA NA +PJ015904 ALEYW C34H44N6O9 680.317 NA PeJP NA NA +PJ015905 LMMMR C27H52N8O6S3 680.3172 NA PeJP NA NA +PJ015906 TMHHR C27H44N12O7S 680.3177 NA PeJP NA NA +PJ015907 GPTLMY C31H48N6O9S 680.3204 NA PeJP NA NA +PJ015908 SSLLMM C28H52N6O9S2 680.3237 NA PeJP NA NA +PJ015909 SQQRY C28H44N10O10 680.3242 NA PeJP NA NA +PJ015910 SSTCKR C25H48N10O10S 680.3276 NA PeJP NA NA +PJ015911 GQKYW C33H44N8O8 680.3282 NA PeJP NA NA +PJ015912 VEMFR C30H48N8O8S 680.3316 NA PeJP NA NA +MJ090248 Ornibactin C4 C26H48N8O13 680.334083 NA MeJP NA NA +PJ015913 GSSTTTK C26H48N8O13 680.3341 NA PeJP NA NA +MJ090249 Pycnocomolide; 4''-Methoxy C42H48O8 680.334918 NA MeJP NA NA +PJ015914 GSKKMM C27H52N8O8S2 680.335 NA PeJP NA NA +PJ015915 ASPNHR C27H44N12O9 680.3354 NA PeJP NA NA +PJ015916 GSPQHR C27H44N12O9 680.3355 NA PeJP NA NA +PJ015917 VVMFW C35H48N6O6S 680.3356 NA PeJP NA NA +PJ015918 LKEEY C31H48N6O11 680.3381 NA PeJP NA NA +PJ015919 PNKHW C32H44N10O7 680.3395 NA PeJP NA NA +2937 myelopeptide FLGFPT 680.34 celiac toxic Inhouse_peptide NA peptide +MJ090250 2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 5-(2-Methylbutanoyl), 2-(2-methylpropanoyl), 7,8,9-tri-Ac C35H52O13 680.340791 NA MeJP NA NA +MJ090251 2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 5-(2-Methylbutanoyl), 7-(2-methylpropanoyl), 2,8,9-tri-Ac C35H52O13 680.340791 NA MeJP NA NA +MJ090252 3,14-Dihydroxycarda-4,20(22)-dienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-allopyranoside] C35H52O13 680.340791 NA MeJP NA NA +MJ090253 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-2,6-dideoxy-D-ribo-hexopyranoside] C35H52O13 680.340791 NA MeJP NA NA +MJ090254 4-Eudesmene-3,6,7,11,15-pentol, 11-O-(3-Acetyl-2,4-diangeloyl-?-D-fucopyranoside), 15-Ac C35H52O13 680.340791 NA MeJP NA NA +MJ090255 Thevetiogenin; 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C35H52O13 680.340791 NA MeJP NA NA +PJ015920 CQKFR C29H48N10O7S 680.3428 NA PeJP NA NA +PJ015921 GACKFR C29H48N10O7S 680.3429 NA PeJP NA NA +MJ090256 Cholestane-3,4,6,8,15,24-hexol, 24-O-?-D-Xylopyranoside, 3-O-sulfate C32H56O13S 680.344162 NA MeJP NA NA +PJ015922 TLERY C30H48N8O10 680.3494 NA PeJP NA NA +PJ015923 SSTKKM C27H52N8O10S 680.3527 NA PeJP NA NA +MJ090257 Dichotomin A C35H48N6O8 680.353362 NA MeJP NA NA +PJ015924 SLLYW C35H48N6O8 680.3534 NA PeJP NA NA +MJ090258 Daphnetoxin; 12?-Dodecanoyloxy C39H52O10 680.356047 NA MeJP NA NA +PJ015925 AALLMY C32H52N6O8S 680.3568 NA PeJP NA NA +PJ015926 SQKRY C29H48N10O9 680.3606 NA PeJP NA NA +PJ015927 GKKYW C34H48N8O7 680.3646 NA PeJP NA NA +PJ015928 VLMRY C31H52N8O7S 680.368 NA PeJP NA NA +PJ015929 GSPKHR C28H48N12O8 680.3718 NA PeJP NA NA +PJ015930 GGAALHR C28H48N12O8 680.3719 NA PeJP NA NA +2623 synthetic fr,of human beta-CN (63-68) ACE inhibitor PQNILP 680.3729 NA Inhouse_peptide NA peptide +PJ015931 ATTLLY C32H52N6O10 680.3745 NA PeJP NA NA +MJ090259 Nostoxanthin; 3-O-Sulfate C40H56O7S 680.374674 NA MeJP NA NA +PJ015932 LKHHF C33H48N10O6 680.3759 NA PeJP NA NA +MJ090260 16,23-Epoxy-2,3,20,26,27-pentahydroxy-5,24-cucurbitadien-11-one, 3-O-?-D-Glucopyranoside C36H56O12 680.377177 NA MeJP NA NA +MJ090261 2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 23,24-Dihydro, 2-O-?-D-glucopyranoside C36H56O12 680.377177 NA MeJP NA NA +MJ090262 2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione, 2-O-?-D-Glucopyranoside C36H56O12 680.377177 NA MeJP NA NA +MJ090263 2,3,19-Trihydroxy-12-ursene-23,28-dioic acid, 28-?-D-Glucopyranosyl ester C36H56O12 680.377177 NA MeJP NA NA +MJ090264 2,3,19-Trihydroxy-12-ursene-24,28-dioic acid, 28-O-?-D-Glucopyranosyl ester C36H56O12 680.377177 NA MeJP NA NA +MJ090265 2,3,20-Trihydroxy-12-ursene-24,28-dioic acid, 24-O-?-D-Galactopyranoside C36H56O12 680.377177 NA MeJP NA NA +MJ090266 2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucopyranoside C36H56O12 680.377177 NA MeJP NA NA +MJ090267 2,3,27-Trihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside C36H56O12 680.377177 NA MeJP NA NA +MJ090268 20,24-Epoxy-2,3,16,25,26-pentahydroxycucurbit-5-en-11-one, 3-Ketone, 2-O-?-D-Glucopyranoside C36H56O12 680.377177 NA MeJP NA NA +MJ090269 21,23:22,28-Diepoxystigmasta-7,9(11)-diene-3,16,21,24,28-pentol, 28-Me ether, 3-O-?-D-glucopyranoside C36H56O12 680.377177 NA MeJP NA NA +MJ090270 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C36H56O12 680.377177 NA MeJP NA NA +MJ090271 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-D-lyxo-hexopyranoside] C36H56O12 680.377177 NA MeJP NA NA +MJ090272 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-L-ribo-hexopyranoside] C36H56O12 680.377177 NA MeJP NA NA +MJ090273 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-D-lyxo-hexopyranoside] C36H56O12 680.377177 NA MeJP NA NA +MJ090274 Allofusicoccin C36H56O12 680.377177 NA MeJP NA NA +MJ090275 Fusicoccin D; 3',19-Di-Ac C36H56O12 680.377177 NA MeJP NA NA +MJ090276 Fusicoccin D; 4',19-Di-Ac C36H56O12 680.377177 NA MeJP NA NA +PJ015933 CKKFR C30H52N10O6S 680.3792 NA PeJP NA NA +PJ015934 VNHRR C27H48N14O7 680.3831 NA PeJP NA NA +PJ015935 DKKKY C31H52N8O9 680.3857 NA PeJP NA NA +PJ015936 GSVKKY C31H52N8O9 680.3858 NA PeJP NA NA +PJ015937 AALLFF C36H52N6O7 680.3898 NA PeJP NA NA +PJ015938 GHRRR C26H48N16O6 680.3943 NA PeJP NA NA +PJ015939 SKKRY C30H52N10O8 680.397 NA PeJP NA NA +MJ090277 Gingerglycolipid A; 12',13',15',16'-Tetrahydro C33H60O14 680.398306 NA MeJP NA NA +PJ015940 LLLHW C35H52N8O6 680.401 NA PeJP NA NA +PJ015941 KKKMF C32H56N8O6S 680.4044 NA PeJP NA NA +PJ015942 GPPVRR C29H52N12O7 680.4082 NA PeJP NA NA +PJ015943 PPLLLE C33H56N6O9 680.4109 NA PeJP NA NA +MJ090278 16,23-Epoxycycloartane-3,15,16,24,25-pentol, 24-Ac, 3-O-?-D-xylopyranoside C37H60O11 680.413562 NA MeJP NA NA +MJ090279 20,24-Epoxycycloartane-3,12,15,16,25-pentol, 15-Ac, 3-O-?-D-Xylopyranoside C37H60O11 680.413562 NA MeJP NA NA +MJ090280 Cholest-4-ene-3,7,12,26-tetrol, 7-O-(6-O-Acetyl-?-D-galactopyranoside), 26-Ac C37H60O11 680.413562 NA MeJP NA NA +PJ015944 PPRRR C28H52N14O6 680.4195 NA PeJP NA NA +PJ015945 SVLLLH C32H56N8O8 680.4221 NA PeJP NA NA +PJ015946 AAPPVVK C32H56N8O8 680.4222 NA PeJP NA NA +MJ090281 Aspidexcine C42H56N4O4 680.430156 NA MeJP NA NA +MJ090282 Secamine; 15,15',20,20'-Tetrahydro C42H56N4O4 680.430156 NA MeJP NA NA +MJ090283 Tetrahydropresecamine C42H56N4O4 680.430156 NA MeJP NA NA +PJ015947 APPLKR C31H56N10O7 680.4334 NA PeJP NA NA +3884 temporin C LLPILGNLLNGLL~ 680.4339 MH2+ Inhouse_peptide NA peptide +MetaCyc04046 13-[O(2')-β-D-glucopyranosyl-β-D-glucopyranosyloxy]docosanoate [] C34H64O13 680.434692 NA metacyc NA NA +C18191 13-Sophorosyloxydocosanoic acid C34H64O13 680.4347 NA KEGG NA NA +MJ090284 Buxus Alkaloid A5 C40H60N2O7 680.440052 NA MeJP NA NA +PJ015948 LKKHR C30H56N12O6 680.4446 NA PeJP NA NA +MJ090285 20,24-Epoxydammarane-3,11,25-triol, 3-O-(2-O-Acetyl-?-D-glucopyranoside) C38H64O10 680.449948 NA MeJP NA NA +MJ090286 Dammar-24-ene-3,6,20,26-tetrol, 3-Ac, 26-O-?-D-glucopyranoside C38H64O10 680.449948 NA MeJP NA NA +PJ015949 PPVLKK C33H60N8O7 680.4585 NA PeJP NA NA +MJ090287 Methionaquinone; 22',23',26',27'-Tetradehydro C46H64O2S 680.462701 NA MeJP NA NA +MJ090288 Aculeatin C C42H64O7 680.465204 NA MeJP NA NA +PJ015950 PLLLLL C35H64N6O7 680.4837 NA PeJP NA NA +MJ090289 Bistellettadine B C35H60N12O2 680.496219 NA MeJP NA NA +MJ090290 Corymbivillosol C43H68O6 680.501589 NA MeJP NA NA +MJ090291 Plastoquinone; Plastoquinone 8 C48H72O2 680.553231 NA MeJP NA NA +MJ090292 1-Dodecanoyl-3,5-ditetradecanoylbenzene C46H80O3 680.610746 NA MeJP NA NA +MJ090293 12-Oleanene-3,28-diol, 3-Hexadecanoyl C46H80O3 680.610746 NA MeJP NA NA +MJ090294 20(29)-Lupen-3-ol, 3-(3R-Hydroxyhexadecanoyl) C46H80O3 680.610746 NA MeJP NA NA +MJ090295 20(29)-Lupene-3,16-diol, 3-Hexadecanoyl C46H80O3 680.610746 NA MeJP NA NA +MJ090296 20-Taraxastene-3,16-diol, 3-Hexadecanoyl C46H80O3 680.610746 NA MeJP NA NA +MJ090297 20-Taraxastene-3,6-diol, 3-Hexadecanoyl C46H80O3 680.610746 NA MeJP NA NA +MJ090298 Lanost-5-ene-3,26-diol, 3-(9-Hexadecenoyl) C46H80O3 680.610746 NA MeJP NA NA +HMDB07122 DG(16:0/24:0/0:0) C43H84O5 680.631897 NA HMDB2010 NA NA +HMDB07173 DG(18:0/22:0/0:0) C43H84O5 680.631897 NA HMDB2010 NA NA +HMDB07368 DG(20:0/20:0/0:0) C43H84O5 680.631897 NA HMDB2010 NA NA +HMDB07593 DG(22:0/18:0/0:0) C43H84O5 680.631897 NA HMDB2010 NA NA +HMDB07794 DG(24:0/16:0/0:0) C43H84O5 680.631897 NA HMDB2010 NA NA +HMDB05216 DG(20:0/20:0/0:0) C43H84O5 680.6319 http://www.hmdb.ca/metabolites/HMDB05216 HMDB NA NA +HMDB05216 DG(20:0/20:0/0:0) C43H84O5 680.6319 HMDB05216 PFEM_hmdb_metabocards_official NA NA +MJ090299 Stigmast-5-en-3-ol, Octadecanoyl C47H84O2 680.647131 NA MeJP NA NA +HMDB06740 CE(20:0) C47H84O2 680.647156 NA HMDB2010 NA NA +HMDB06740 Cholesteryl eicosanoic acid C47H84O2 680.64716 http://www.hmdb.ca/metabolites/HMDB06740 HMDB NA NA +HMDB06740 Cholesteryl eicosanoic acid C47H84O2 680.64716 HMDB06740 PFEM_hmdb_metabocards_official NA NA +PJ015951 CCCCNH C22H35N9O8S4 681.1492 NA PeJP NA NA +FL7AAAGL0020 Palargonidin 3-(6''-malonylsophoroside) C30H33O18 681.16668 79504-28-2 knapsack NA NA +FL7AAAGL0024 Pelargonidin 3-(6''-malonylglucoside)-5-glucoside C30H33O18 681.16668 98064-03-0 knapsack NA NA +FL7AAAGL0025 Pelargonidin 3-glucoside-5-(6'''-malonylglucoside) C30H33O18 681.16668 167774-88-1 knapsack NA NA +FL7AAAGL0070 Pelargonidin 3-(6-malonylglucoside)-7-glucoside C30H33O18 681.16668 215237-89-1 knapsack NA NA +PJ015952 GPPCCCC C24H39N7O8S4 681.1743 NA PeJP NA NA +PJ015953 CCNNND C22H35N9O12S2 681.1847 NA PeJP NA NA +PJ015954 SCNDDE C23H35N7O15S 681.1912 NA PeJP NA NA +PJ015955 PCCNDM C24H39N7O10S3 681.1921 NA PeJP NA NA +PJ015956 CCMYY C29H39N5O8S3 681.1961 NA PeJP NA NA +MJ090300 Antibiotic SF 2446A1; 6-Deoxy C34H35NO14 681.205754 NA MeJP NA NA +PJ015957 GSCDDW C27H35N7O12S 681.2065 NA PeJP NA NA +PJ015958 APCCCW C28H39N7O7S3 681.2073 NA PeJP NA NA +PJ015959 GSSSDDD C23H35N7O17 681.209 NA PeJP NA NA +PJ015960 GNDDMM C24H39N7O12S2 681.2098 NA PeJP NA NA +PJ015961 GGGDDMM C24H39N7O12S2 681.2099 NA PeJP NA NA +MJ090301 Neocoprogen II C27H41FeN6O11 681.218273 NA MeJP NA NA +PJ015962 GCCDER C23H39N9O11S2 681.2211 NA PeJP NA NA +PJ015963 GNDDDF C27H35N7O14 681.2242 NA PeJP NA NA +PJ015964 CNEMW C28H39N7O9S2 681.2251 NA PeJP NA NA +PJ015965 SSNDEM C24H39N7O14S 681.2276 NA PeJP NA NA +PJ015966 SPCNMM C25H43N7O9S3 681.2285 NA PeJP NA NA +PJ015967 GCNDHH C25H35N11O10S 681.2289 NA PeJP NA NA +PJ015968 CCFFY C33H39N5O7S2 681.2291 NA PeJP NA NA +PJ015969 CCDRW C27H39N9O8S2 681.2363 NA PeJP NA NA +PJ015970 SSCDDR C23H39N9O13S 681.2388 NA PeJP NA NA +PJ015971 PTCCCR C24H43N9O8S3 681.2397 NA PeJP NA NA +PJ015972 GCMWW C32H39N7O6S2 681.2403 NA PeJP NA NA +MJ090302 Alangiside; 2'-(4-Hydroxy-3-methoxycinnamoyl)(E-) C35H39NO13 681.24214 NA MeJP NA NA +MJ090303 Alangiside; O-De-Me, O2-Me, 2'-(4-hydroxy-3-methoxycinnamoyl)(E-) C35H39NO13 681.24214 NA MeJP NA NA +PJ015973 GSSDMW C28H39N7O11S 681.2429 NA PeJP NA NA +PJ015974 GSSSSEE C24H39N7O16 681.2453 NA PeJP NA NA +PJ015975 GSQEMM C25H43N7O11S2 681.2462 NA PeJP NA NA +PJ015976 ACYYY C33H39N5O9S 681.2469 NA PeJP NA NA +PJ015977 EEEEF C29H39N5O14 681.2494 NA PeJP NA NA +PJ015978 GCNNQF C27H39N9O10S 681.2541 NA PeJP NA NA +PJ015979 SSSSSNN C23H39N9O15 681.2566 NA PeJP NA NA +PJ015980 SCCNQK C24H43N9O10S2 681.2574 NA PeJP NA NA +PJ015981 GSCEMR C24H43N9O10S2 681.2575 NA PeJP NA NA +PJ015982 STCWW C32H39N7O8S 681.2581 NA PeJP NA NA +PJ015983 SSSSEW C28H39N7O13 681.2606 NA PeJP NA NA +PJ015984 SQMMW C29H43N7O8S2 681.2615 NA PeJP NA NA +PJ015985 SSTQEM C25H43N7O13S 681.264 NA PeJP NA NA +PJ015986 SSYYY C33H39N5O11 681.2646 NA PeJP NA NA +PJ015987 AAQMMM C26H47N7O8S3 681.2649 NA PeJP NA NA +PJ015988 GSNMHH C26H39N11O9S 681.2653 NA PeJP NA NA +PJ015989 NDDRY C27H39N9O12 681.2718 NA PeJP NA NA +PJ015990 GGDDRY C27H39N9O12 681.2719 NA PeJP NA NA +PJ015991 SCMRW C28H43N9O7S2 681.2727 NA PeJP NA NA +PJ015992 DHHHH C28H35N13O8 681.2732 NA PeJP NA NA +PJ015993 SSSDMR C24H43N9O12S 681.2752 NA PeJP NA NA +PJ015994 GQEYW C32H39N7O10 681.2759 NA PeJP NA NA +PJ015995 NMMMR C25H47N9O7S3 681.2761 NA PeJP NA NA +MJ090304 Antibiotic A 39079S-1 C36H43NO12 681.278525 NA MeJP NA NA +PJ015996 GSTTMW C29H43N7O10S 681.2792 NA PeJP NA NA +PJ015997 GGGVDMF C29H43N7O10S 681.2793 NA PeJP NA NA +PJ015998 GSSTTTE C25H43N7O15 681.2817 NA PeJP NA NA +PJ015999 GSKEMM C26H47N7O10S2 681.2826 NA PeJP NA NA +PJ016000 SSSQHH C26H39N11O11 681.2831 NA PeJP NA NA +PJ016001 LEEEY C30H43N5O13 681.2858 NA PeJP NA NA +PJ016002 PNEHW C31H39N9O9 681.2871 NA PeJP NA NA +PJ016003 GSPCRY C28H43N9O9S 681.2905 NA PeJP NA NA +PJ016004 QYWW C36H39N7O7 681.2911 NA PeJP NA NA +MJ090305 Neoacrimarine A; O6-De-Me C40H43NO9 681.293781 NA MeJP NA NA +PJ016005 GSTMMR C25H47N9O9S2 681.2938 NA PeJP NA NA +PJ016006 GGSCCKK C25H47N9O9S2 681.2939 NA PeJP NA NA +PJ016007 AQMFW C33H43N7O7S 681.2945 NA PeJP NA NA +PJ016008 SSTTTW C29H43N7O12 681.297 NA PeJP NA NA +PJ016009 SKMMW C30H47N7O7S2 681.2979 NA PeJP NA NA +PJ016010 NQHHF C30H39N11O8 681.2983 NA PeJP NA NA +PJ016011 GGGAHHF C30H39N11O8 681.2984 NA PeJP NA NA +PJ016012 SSTKEM C26H47N7O12S 681.3004 NA PeJP NA NA +PJ016013 AAKMMM C27H51N7O7S3 681.3012 NA PeJP NA NA +PJ016014 GTCKHH C27H43N11O8S 681.3017 NA PeJP NA NA +PJ016015 GPHWW C35H39N9O6 681.3024 NA PeJP NA NA +PJ016016 ACFRW C32H43N9O6S 681.3057 NA PeJP NA NA +PJ016017 SQERY C28H43N9O11 681.3082 NA PeJP NA NA +PJ016018 SSTTMR C25H47N9O11S 681.3116 NA PeJP NA NA +PJ016019 GKEYW C33H43N7O9 681.3122 NA PeJP NA NA +PJ016020 GGSLYW C33H43N7O9 681.3123 NA PeJP NA NA +MJ090306 Rifamycin W; 8-Deoxy, 23-Ac C37H47NO11 681.314911 NA MeJP NA NA +PJ016021 GSPKMY C30H47N7O9S 681.3156 NA PeJP NA NA +PJ016022 SSSSTTL C26H47N7O14 681.3181 NA PeJP NA NA +PJ016023 ATTKMM C27H51N7O9S2 681.319 NA PeJP NA NA +PJ016024 GSPEHR C27H43N11O10 681.3195 NA PeJP NA NA +PJ016025 GTRYW C32H43N9O8 681.3235 NA PeJP NA NA +PJ016026 VNMRY C29H47N9O8S 681.3268 NA PeJP NA NA +PJ016027 GGVMRY C29H47N9O8S 681.3269 NA PeJP NA NA +PJ016028 KYWW C37H43N7O6 681.3275 NA PeJP NA NA +PJ016029 NQQHR C26H43N13O9 681.3307 NA PeJP NA NA +PJ016030 AKMFW C34H47N7O6S 681.3309 NA PeJP NA NA +PJ016031 DKKEY C30H47N7O11 681.3334 NA PeJP NA NA +PJ016032 SPHRW C31H43N11O7 681.3347 NA PeJP NA NA +MJ090307 Tetrin A C34H51NO13 681.33604 NA MeJP NA NA +PJ016033 TTTTKM C27H51N7O11S 681.3367 NA PeJP NA NA +C04245 Amino acid(Tyr-, Trp-, Phe-, Leu-) C11H12N2O2 681.3374 NA KEGG NA NA +C04246 But-2-enoyl-[acyl-carrier protein] C4H5OSR 681.3374 NA KEGG NA NA +C04247 D-Galactosyl-1,4-beta-D-glucosyl-R C12H21O11R 681.3374 NA KEGG NA NA +C04248 6-(alpha-D-Glucosaminyl)-1-phosphatidyl-1D-myo-inositol C17H28NO17PR2 681.3374 NA KEGG NA NA +C04249 DNA (containing Holliday junction) C17H28NO17PR2 681.3374 NA KEGG NA NA +C04250 DNA containing 6-O-methylguanine C11H16N5O7P 681.3374 NA KEGG NA NA +PJ016034 GMRRY C28H47N11O7S 681.3381 NA PeJP NA NA +PJ016035 SKERY C29H47N9O10 681.3446 NA PeJP NA NA +PJ016036 SVKYW C34H47N7O8 681.3486 NA PeJP NA NA +PJ016037 GGGVVFF C34H47N7O8 681.3487 NA PeJP NA NA +MJ090308 4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-(3-Methylamino-3-phenylpropanoyl), 2,9,10,13-tetra-Ac C38H51NO10 681.351296 NA MeJP NA NA +MJ090309 4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-(3-Methylamino-3-phenylpropanoyl), 7,9,10,13-tetra-Ac C38H51NO10 681.351296 NA MeJP NA NA +PJ016038 LQKMY C31H51N7O8S 681.352 NA PeJP NA NA +MJ090310 Jubanine A; N-De-Me C39H47N5O6 681.352634 NA MeJP NA NA +PJ016039 STRRY C28H47N11O9 681.3558 NA PeJP NA NA +PJ016040 GALEHR C28H47N11O9 681.3559 NA PeJP NA NA +2654 synthetic fr, of human beta-CN (165-170) ACE inhibitor PQEVLP 681.356 NA Inhouse_peptide NA peptide +PJ016041 VLQHW C33H47N9O7 681.3599 NA PeJP NA NA +PJ016042 CLKRY C30H51N9O7S 681.3632 NA PeJP NA NA +PJ016043 PPPCLR C30H51N9O7S 681.3633 NA PeJP NA NA +PJ016044 VDHRR C27H47N13O8 681.3671 NA PeJP NA NA +PJ016045 GTTLKY C31H51N7O10 681.3698 NA PeJP NA NA +PJ016046 ALHRW C32H47N11O6 681.3711 NA PeJP NA NA +PJ016047 APPLER C30H51N9O9 681.381 NA PeJP NA NA +PJ016048 GPPLLW C35H51N7O7 681.385 NA PeJP NA NA +PJ016049 LKKMY C32H55N7O7S 681.3884 NA PeJP NA NA +PJ016050 LKEHR C29H51N11O8 681.3922 NA PeJP NA NA +PJ016051 GGGVKKH C29H51N11O8 681.3923 NA PeJP NA NA +PJ016052 VLKHW C34H51N9O6 681.3963 NA PeJP NA NA +PJ016053 TLHRR C28H51N13O7 681.4035 NA PeJP NA NA +PJ016054 PPVLKE C32H55N7O9 681.4062 NA PeJP NA NA +C15681 Mycinamicin III C36H59NO11 681.4088 NA KEGG NA NA +MJ090311 Mycinamycin VI; 2''-Me ether C36H59NO11 681.408811 NA MeJP NA NA +PJ016055 SPPLLR C31H55N9O8 681.4174 NA PeJP NA NA +PJ016056 LKKFF C36H55N7O6 681.4214 NA PeJP NA NA +PJ016057 GPPKKR C30H55N11O7 681.4286 NA PeJP NA NA +HMDB08865 PE(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C37H64NO8P 681.436951 NA HMDB2010 NA NA +HMDB09185 PE(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)) C37H64NO8P 681.436951 NA HMDB2010 NA NA +MJ090312 8-Multiflorene-3,7,29-triol, 3-O-(4-Aminobenzoyl), 29-benzoyl C44H59NO5 681.439324 NA MeJP NA NA +PJ016058 PVLLLQ C33H59N7O8 681.4425 NA PeJP NA NA +PJ016059 GGPLLLL C33H59N7O8 681.4426 NA PeJP NA NA +PJ016060 APLLLR C32H59N9O7 681.4538 NA PeJP NA NA +MJ090313 Antibiotic MK 1688 C36H63N3O9 681.45643 NA MeJP NA NA +MJ090314 Enniatin A C36H63N3O9 681.45643 NA MeJP NA NA +MJ090315 Enniatin C C36H63N3O9 681.45643 NA MeJP NA NA +MJ090316 Enniatin F C36H63N3O9 681.45643 NA MeJP NA NA +PJ016061 PVLLLK C34H63N7O7 681.4789 NA PeJP NA NA +MJ090317 2-Amino-6-octadecene-1,3,4-triol, N-(2R-Hydroxytetracosanoyl) C42H83NO5 681.627124 NA MeJP NA NA +PJ016062 CCCCDH C22H34N8O9S4 682.1332 NA PeJP NA NA +MJ090318 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-D-Glucuronopyranosyl-(1??)-?-D-glucuronopyranoside] C29H30O19 682.138128 NA MeJP NA NA +MJ090319 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside] C29H31O19(+) 682.138128 NA MeJP NA NA +MJ090320 3,3',4',5,7-Pentahydroxyflavylium(1+); 3,5-Di-O-oxalyl-?-D-glucopyranoside C29H31O19(+) 682.138128 NA MeJP NA NA +PJ016063 CCNNDD C22H34N8O13S2 682.1687 NA PeJP NA NA +PJ016064 SCCCMH C23H38N8O8S4 682.1696 NA PeJP NA NA +FL3FFCGS0014 8-Hydroxyluteolin 4'-methyl ether 7-(6'''-acetylallosyl-(1->2)-glucoside C30H34O18 682.17451 93753-29-8 knapsack NA NA +FL5FAAGL0090 Kaempferol 3-(2''-hydroxypropionylglucoside)-4'-glucoside C30H34O18 682.17451 83299-93-8 knapsack NA NA +FL5FADGA0021 Isorhamnetin 3-(6'''-acetylglucosyl)(1->3)-galactoside;3-[[3-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C30H34O18 682.17451 139955-72-9 knapsack NA NA +FL5FADGA0023 Isorhamnetin 3-(6'''-acetylglucosyl)(1->6)-galactoside C30H34O18 682.17451 - knapsack NA NA +FL5FFCGS0021 Haploside D C30H34O18 682.17451 79852-10-1 knapsack NA NA +MJ090321 3',5,7,8-Tetrahydroxy-4'-methoxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-?-D-glucopyranoside] C30H34O18 682.174514 NA MeJP NA NA +MJ090322 3',5,7,8-Tetrahydroxy-4'-methoxyflavone; 7-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C30H34O18 682.174514 NA MeJP NA NA +MJ090323 3,4',5,7,8-Pentahydroxy-3'-methoxyflavone; 7-O-[6-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C30H34O18 682.174514 NA MeJP NA NA +MJ090324 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] C30H34O18 682.174514 NA MeJP NA NA +MJ090325 4',5,7,8-Tetrahydroxy-3'-methoxyflavone; 7-O-[?-D-Mannopyranosyl-(1?2)-?-D-glucopyranoside], mono-Ac C30H34O18 682.174514 NA MeJP NA NA +MJ090326 Astragalin; O''-(2-Hydroxypropanoyl), 4'-O-?-D-glucopyranoside C30H34O18 682.174514 NA MeJP NA NA +MJ090327 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-acetyl-?-D-glucopyranoside) C30H35O18(+) 682.174514 NA MeJP NA NA +PJ016065 SCDDDE C23H34N6O16S 682.1752 NA PeJP NA NA +PJ016066 PCCDDM C24H38N6O11S3 682.1761 NA PeJP NA NA +PJ016067 GSPCCCN C23H38N8O10S3 682.1873 NA PeJP NA NA +MJ090328 Chlorobiocin; 5-Demethyl C34H35ClN2O11 682.192937 NA MeJP NA NA +PJ016068 GDDDMM C24H38N6O13S2 682.1939 NA PeJP NA NA +PJ016069 ACCCHF C27H38N8O7S3 682.2026 NA PeJP NA NA +PJ016070 SCNNDM C23H38N8O12S2 682.2051 NA PeJP NA NA +PJ016071 GDDDDF C27H34N6O15 682.2083 NA PeJP NA NA +PJ016072 CDEMW C28H38N6O10S2 682.2091 NA PeJP NA NA +FL2FA9GS0010 Pinocembrin 7-apiosyl-(1->5)-apiosyl-(1->2)-glucoside;5,7-Dihydroxyflavanone 7-apiosyl-(1->5)-apiosyl-(1->2)-glucoside C31H38O17 682.21089 433979-36-3 knapsack NA NA +FL3FECGS0053 6-Hydroxyluteolin 5,6,3',4'-tetramethyl eter 7-cellobioside;2-(3,4-Dimethoxyphenyl)-7-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,6-dimethoxy-4H-1-benzopyran-4-one C31H38O17 682.21089 222025-50-5 knapsack NA NA +FL3FEGGS0005 6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-robinobioside C31H38O17 682.21089 - knapsack NA NA +FL3FFGDS0001 5,7-Dihydroxy-8-3',4',5'-tetramethoxyflavone 5-O-rhamnoside-6-C-glucoside C31H38O17 682.21089 72200-75-0 knapsack NA NA +FL5FGAGS0001 6,8-Dihydroxykaempferol 3,6,7,4'-tetramethyl ether 8-neohesperidoside;8-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-3,6,7-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C31H38O17 682.21089 158781-94-3 knapsack NA NA +MJ090329 1,2,3,6,8-Pentahydroxy-7-methylanthraquinone; 1,2,3,6-Tetra-Me ether, 8-O-[?-D-mannopyranosyl-(1?2)-?-D-allopyranoside] C31H38O17 682.210899 NA MeJP NA NA +MJ090330 2',4',5,5',6,7-Hexahydroxyisoflavone; 2',4',5',6-Tetra-Me ether, 7-O-(rhamnosylglucoside) C31H38O17 682.210899 NA MeJP NA NA +MJ090331 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[6-O-Acetyl-?-D-glucopyranosyl-(?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C31H38O17 682.210899 NA MeJP NA NA +MJ090332 3',4',5,5',6,7-Hexahydroxyflavone; 3',5',6,7-Tetra-Me ether, 5-O-[?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C31H38O17 682.210899 NA MeJP NA NA +MJ090333 3',4',5,6,7-Pentahydroxyflavone; 3',4',5,6-Tetra-Me ether, 7-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] C31H38O17 682.210899 NA MeJP NA NA +MJ090334 3,4',5,6,7,8-Hexahydroxyflavone; 3,4',6,7-Tetra-Me ether, 8-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C31H38O17 682.210899 NA MeJP NA NA +MJ090335 6-Glucopyranosyl-3',4',5,5',7,8-hexahydroxyflavone; 3',4',5',8-Tetra-Me ether, 5-O-?-L-rhamnopyranoside C31H38O17 682.210899 NA MeJP NA NA +PJ016073 SSDDEM C24H38N6O15S 682.2116 NA PeJP NA NA +PJ016074 SPCDMM C25H42N6O10S3 682.2125 NA PeJP NA NA +PJ016075 GCDDHH C25H34N10O11S 682.213 NA PeJP NA NA +MJ090336 Dactylocycline E C31H39ClN2O13 682.214067 NA MeJP NA NA +PJ016076 GSCCQW C27H38N8O9S2 682.2203 NA PeJP NA NA +PJ016077 GSSSCNE C23H38N8O14S 682.2228 NA PeJP NA NA +PJ016078 GGGSSSCE C23H38N8O14S 682.2229 NA PeJP NA NA +PJ016079 GCNQMM C24H42N8O9S3 682.2237 NA PeJP NA NA +PJ016080 GPCDEY C28H38N6O12S 682.2269 NA PeJP NA NA +PJ016081 GSEEMM C25H42N6O12S2 682.2302 NA PeJP NA NA +PJ016082 APCMMM C26H46N6O7S4 682.2311 NA PeJP NA NA +PJ016083 SPCCHH C26H38N10O8S2 682.2316 NA PeJP NA NA +PJ016084 GCCNMR C23H42N10O8S3 682.235 NA PeJP NA NA +PJ016085 SSSCNW C27H38N8O11S 682.2381 NA PeJP NA NA +PJ016086 SSSSSND C23H38N8O16 682.2406 NA PeJP NA NA +PJ016087 SSNNMM C24H42N8O11S2 682.2415 NA PeJP NA NA +PJ016088 PCDYW C32H38N6O9S 682.2421 NA PeJP NA NA +PJ016089 NEEEY C28H38N6O14 682.2446 NA PeJP NA NA +PJ016090 SEMMW C29H42N6O9S2 682.2455 NA PeJP NA NA +MJ090337 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 4',9-di-O-?-D-glucopyranoside C32H42O16 682.247285 NA MeJP NA NA +MJ090338 Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[3,4-dimethoxycinnamoyl-(?3)-?-L-rhamnopyranoside] C32H42O16 682.247285 NA MeJP NA NA +MJ090339 Bruceolide; 15-(3-Methyl-2-butenoyl), 3-O-(?-D-glucopyranoside) C32H42O16 682.247285 NA MeJP NA NA +MJ090340 Bruceoside C C32H42O16 682.247285 NA MeJP NA NA +MJ090341 Bruceosin; 2-O-?-D-Glucopyranoside C32H42O16 682.247285 NA MeJP NA NA +MJ090342 Matairesinol, 4,4'-Di-O-?-D-glucopyranoside C32H42O16 682.247285 NA MeJP NA NA +MJ090343 Matairesinol, 4-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C32H42O16 682.247285 NA MeJP NA NA +MJ090344 Pinoresinol, Di-O-?-D-glucopyranoside C32H42O16 682.247285 NA MeJP NA NA +C08753 Bruceoside A C32H42O16 682.2473 NA KEGG NA NA +PJ016091 SSTEEM C25H42N6O14S 682.248 NA PeJP NA NA +PJ016092 AAEMMM C26H46N6O9S3 682.2489 NA PeJP NA NA +PJ016093 GSDMHH C26H38N10O10S 682.2493 NA PeJP NA NA +PJ016094 SSCCQR C23H42N10O10S2 682.2527 NA PeJP NA NA +PJ016095 CNNFW C31H38N8O8S 682.2534 NA PeJP NA NA +PJ016096 DDDRY C27H38N8O13 682.2559 NA PeJP NA NA +PJ016097 GSCCKW C28H42N8O8S2 682.2567 NA PeJP NA NA +MJ090345 3-[[6-[[[4-(1,1-Dimethylethyl)phenyl]sulfonyl]amino]-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]oxy]-N-(2,6-dimethylphenyl)propanamide C36H38N6O6S 682.257353 NA MeJP NA NA +PJ016098 GSSSSQM C24H42N8O13S 682.2592 NA PeJP NA NA +PJ016099 GEEYW C32H38N6O11 682.2599 NA PeJP NA NA +PJ016100 DMMMR C25H46N8O8S3 682.2601 NA PeJP NA NA +PJ016101 PCMFW C33H42N6O6S2 682.2607 NA PeJP NA NA +MJ090346 Picrioside A C36H42O13 682.262541 NA MeJP NA NA +PJ016102 GSPEMY C29H42N6O11S 682.2633 NA PeJP NA NA +PJ016103 CLMMW C30H46N6O6S3 682.2641 NA PeJP NA NA +PJ016104 TCHHW C30H38N10O7S 682.2646 NA PeJP NA NA +PJ016105 ATTEMM C26H46N6O11S2 682.2666 NA PeJP NA NA +PJ016106 SSSEHH C26H38N10O12 682.2671 NA PeJP NA NA +PJ016107 QMMHH C27H42N10O7S2 682.268 NA PeJP NA NA +PJ016108 GSSSSCR C23H42N10O12S 682.2705 NA PeJP NA NA +PJ016109 SNNYW C31H38N8O10 682.2711 NA PeJP NA NA +PJ016110 ACCCKR C24H46N10O7S3 682.2713 NA PeJP NA NA +PJ016111 NQQMY C28H42N8O10S 682.2745 NA PeJP NA NA +PJ016112 EYWW C36H38N6O8 682.2751 NA PeJP NA NA +PJ016113 SSSSSTQ C24H42N8O15 682.277 NA PeJP NA NA +MJ090347 1,4,6,8,9-Pentahydroxydihydro-?-agarofuran, 6,9-Dibenzoyl, 8-cinnamoyl, 1-Ac C40H42O10 682.277797 NA MeJP NA NA +PJ016114 SSCQKM C25H46N8O10S2 682.2779 NA PeJP NA NA +PJ016115 GNNNQH C25H38N12O11 682.2783 NA PeJP NA NA +PJ016116 GGGGGGGQH C25H38N12O11 682.2784 NA PeJP NA NA +PJ016117 SPMYW C33H42N6O8S 682.2785 NA PeJP NA NA +PJ016118 CMHHR C26H42N12O6S2 682.2792 NA PeJP NA NA +PJ016119 DKEEY C29H42N6O13 682.281 NA PeJP NA NA +PJ016120 AAPMMY C30H46N6O8S2 682.2819 NA PeJP NA NA +PJ016121 NEHHF C30H38N10O9 682.2823 NA PeJP NA NA +PJ016122 GGEHHF C30H38N10O9 682.2824 NA PeJP NA NA +MJ090348 Myricanol; 5-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C33H46O15 682.28367 NA MeJP NA NA +MJ090349 Myricanol; 5-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C33H46O15 682.28367 NA MeJP NA NA +PJ016123 TTTTEM C26H46N6O13S 682.2844 NA PeJP NA NA +PJ016124 ASLMMM C27H50N6O8S3 682.2852 NA PeJP NA NA +PJ016125 GTLMMM C27H50N6O8S3 682.2853 NA PeJP NA NA +PJ016126 CNQRY C27H42N10O9S 682.2857 NA PeJP NA NA +MJ090350 Curacautine C39H42N2O9 682.28903 NA MeJP NA NA +PJ016127 SSCCKR C24H46N10O9S2 682.2891 NA PeJP NA NA +PJ016128 SEERY C28H42N8O12 682.2922 NA PeJP NA NA +PJ016129 GGGSDKY C28H42N8O12 682.2923 NA PeJP NA NA +PJ016130 APPMMH C29H46N8O7S2 682.2931 NA PeJP NA NA +PJ016131 GSSSSKM C25H46N8O12S 682.2956 NA PeJP NA NA +PJ016132 SVEYW C33H42N6O10 682.2963 NA PeJP NA NA +PJ016133 ACCKKM C26H50N8O7S3 682.2965 NA PeJP NA NA +PJ016134 GPCNHR C26H42N12O8S 682.297 NA PeJP NA NA +PJ016135 GHHFW C34H38N10O6 682.2976 NA PeJP NA NA +8222 antioxidative peptide NYKQM 682.2983 NA ;SYN:(2S)-2-Aminopentanedioate; (2S)-2-Aminopentanedioic acid; (S)-(+)-Glutamate; (S)-(+)-Glutamic acid; (S)-2-Aminopentanedioate; (S)-2-Aminopentanedioic acid; (S)-Glutamate; (S)-Glutamic acid; 1-Aminopropane-1,3-dicarboxylate; 1-Aminopropane-1,3-dicarboxylic acid; 1-amino-propane-1,3-dicarboxylate; 1-amino-propane-1,3-dicarboxylic acid; 2-Aminoglutarate; 2-Aminoglutaric acid; 2-Aminopentanedioate; 2-Aminopentanedioic acid; Aciglut; E; Glusate; Glutacid; Glutamicol; Glutamidex; Glutaminate; Glutaminic acid; Glutaminol; Glutaton; L-(+)-Glutamate; L-(+)-Glutamic acid; L-Glutamate; L-Glutaminate; L-Glutaminic acid; L-a-Aminoglutarate; L-a-Aminoglutaric acid; L-glu; a-Aminoglutarate; a-Aminoglutaric acid; a-Glutamate; a-Glutamic acid; aminoglutarate; aminoglutaric acid; glt; glu; glut; L-alpha-Aminoglutarate; L-alpha-Aminoglutaric acid; alpha-Aminoglutarate; alpha-Aminoglutaric acid; alpha-Glutamate; alpha-Glutamic acidH2Blood; Cellular Cytoplasm; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +MJ090351 4(20),12-Taxadiene-2,5,7,9,10,11,13-heptol, 5-Cinnamoyl, 2,7,9,13-tetra-Ac C37H46O12 682.298926 NA MeJP NA NA +MJ090352 4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 11-Cinnamoyl, 3,6,7,20-tetra-Ac C37H46O12 682.298926 NA MeJP NA NA +MJ090353 4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 11-Cinnamoyl, 3,6,7,9-tetra-Ac C37H46O12 682.298926 NA MeJP NA NA +MJ090354 Agrimols; Agrimol A C37H46O12 682.298926 NA MeJP NA NA +MJ090355 Agrimols; Agrimol B C37H46O12 682.298926 NA MeJP NA NA +MJ090356 Protokosin C37H46O12 682.298926 NA MeJP NA NA +PJ016136 LQEMY C30H46N6O10S 682.2996 NA PeJP NA NA +MJ090357 Cimilophytine C38H42N4O8 682.300264 NA MeJP NA NA +PJ016137 STTLMM C27H50N6O10S2 682.303 NA PeJP NA NA +PJ016138 GSSNRY C27H42N10O11 682.3035 NA PeJP NA NA +PJ016139 KMMHH C28H46N10O6S2 682.3044 NA PeJP NA NA +PJ016140 NQQFF C32H42N8O9 682.3075 NA PeJP NA NA +MJ090358 Glaudelsine; O6-Me, N-de-Et, N-formyl C36H46N2O11 682.31016 NA MeJP NA NA +MJ090359 Lycaconitine; O6,O14-Di-de-Me, O6-Ac C36H46N2O11 682.31016 NA MeJP NA NA +PJ016141 VDMRY C29H46N8O9S 682.3109 NA PeJP NA NA +PJ016142 APFYW C37H42N6O7 682.3115 NA PeJP NA NA +PJ016143 SSSSSTK C25H46N8O14 682.3134 NA PeJP NA NA +PJ016144 SSCKKM C26H50N8O9S2 682.3142 NA PeJP NA NA +PJ016145 NQEHR C26H42N12O10 682.3147 NA PeJP NA NA +PJ016146 ALMYW C34H46N6O7S 682.3149 NA PeJP NA NA +PJ016147 GTTLEY C30H46N6O12 682.3174 NA PeJP NA NA +PJ016148 AALMMF C31H50N6O7S2 682.3183 NA PeJP NA NA +PJ016149 VNQHW C31H42N10O8 682.3187 NA PeJP NA NA +MJ090360 3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 17-Epimer, 3-O-[?-D-xylopyranosyl(1?4)-?-D-digitoxoside] C34H50O14 682.320056 NA MeJP NA NA +MJ090361 3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Xylopyranosyl(1?4)-?-D-digitoxoside C34H50O14 682.320056 NA MeJP NA NA +PJ016150 CNKRY C28H46N10O8S 682.3221 NA PeJP NA NA +PJ016151 PPHFW C36H42N8O6 682.3228 NA PeJP NA NA +C09441 Fetidine C40H46N2O8 682.3254 NA KEGG NA NA +MJ090362 Fauridine C40H46N2O8 682.325416 NA MeJP NA NA +MJ090363 Isopyruthaline; O5,O14-Bis(demethoxy), 1'-epimer C40H46N2O8 682.325416 NA MeJP NA NA +MJ090364 Istanbulamine; O7'-Me C40H46N2O8 682.325416 NA MeJP NA NA +MJ090365 Thalicarpine; N2'-De-Me C40H46N2O8 682.325416 NA MeJP NA NA +MJ090366 Thalicarpine; N6-De-Me C40H46N2O8 682.325416 NA MeJP NA NA +MJ090367 Thalicarpine; O1-De-Me C40H46N2O8 682.325416 NA MeJP NA NA +MJ090368 Thalicarpine; O4''-De-Me C40H46N2O8 682.325416 NA MeJP NA NA +MJ090369 Thalicarpine; O5''-De-Me C40H46N2O8 682.325416 NA MeJP NA NA +MJ090370 Thalicarpine; O6'-De-Me C40H46N2O8 682.325416 NA MeJP NA NA +MJ090371 Thalicarpine; O7'-De-Me C40H46N2O8 682.325416 NA MeJP NA NA +MJ090372 Thalifaberine; O1-De-Me C40H46N2O8 682.325416 NA MeJP NA NA +MJ090373 Thalifaberine; O3-De-Me C40H46N2O8 682.325416 NA MeJP NA NA +MJ090374 Thalifaberine; O6'-De-Me C40H46N2O8 682.325416 NA MeJP NA NA +MJ090375 Thalifaberine; O7'-De-Me C40H46N2O8 682.325416 NA MeJP NA NA +MJ090376 Thalirevolutine; O1-De-Me C40H46N2O8 682.325416 NA MeJP NA NA +MJ090377 Thalirevolutine; O4''-De-Me C40H46N2O8 682.325416 NA MeJP NA NA +MJ090378 Thalirevolutine; O7'-De-Me C40H46N2O8 682.325416 NA MeJP NA NA +MJ090379 Thalistine; O5-Me ether C40H46N2O8 682.325416 NA MeJP NA NA +MJ090380 Thalistine; N2-Me C40H47N2O8(+) 682.325416 NA MeJP NA NA +PJ016152 PLMHW C33H46N8O6S 682.3261 NA PeJP NA NA +PJ016153 GSTQKY C29H46N8O11 682.3286 NA PeJP NA NA +PJ016154 GGGAPPLD C29H46N8O11 682.3287 NA PeJP NA NA +PJ016155 VMMFR C30H50N8O6S2 682.3295 NA PeJP NA NA +PJ016156 GQHRW C30H42N12O7 682.33 NA PeJP NA NA +PJ016157 TTLYW C34H46N6O9 682.3326 NA PeJP NA NA +MJ090381 Dichotomin A; 6-L-Threonine analogue C34H46N6O9 682.332627 NA MeJP NA NA +PJ016158 GAPLYY C34H46N6O9 682.3327 NA PeJP NA NA +MJ090382 3,14-Dihydroxycard-20(22)-enolide, 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] C38H50O11 682.335312 NA MeJP NA NA +PJ016159 LKEMY C31H50N6O9S 682.336 NA PeJP NA NA +PJ016160 LEEHR C28H46N10O10 682.3399 NA PeJP NA NA +PJ016161 PHHHR C29H42N14O6 682.3412 NA PeJP NA NA +MJ090383 Pseudostellarin B C33H46N8O8 682.34386 NA MeJP NA NA +PJ016162 VLEHW C33H46N8O8 682.3439 NA PeJP NA NA +C08699 Methyllycaconitine C37H50N2O10 682.3465 NA KEGG NA NA +MJ090384 Glaudelsine; O6-Me C37H50N2O10 682.346545 NA MeJP NA NA +MJ090385 Lycaconitine; O8-Me C37H50N2O10 682.346545 NA MeJP NA NA +PJ016163 TLMRY C30H50N8O8S 682.3472 NA PeJP NA NA +PJ016164 NKKMY C30H50N8O8S 682.3473 NA PeJP NA NA +PJ016165 ALFFW C38H46N6O6 682.3479 NA PeJP NA NA +PJ016166 NKEHR C27H46N12O9 682.3511 NA PeJP NA NA +PJ016167 SSTLLY C31H50N6O11 682.3538 NA PeJP NA NA +PJ016168 PPQRW C32H46N10O7 682.3551 NA PeJP NA NA +MJ090386 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C35H54O13 682.356441 NA MeJP NA NA +MJ090387 3,14,16-Trihydroxycard-20(22)-enolide, Glycoside C35H54O13 682.356441 NA MeJP NA NA +MJ090388 3,14,19-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-xylo-hexopyranoside] C35H54O13 682.356441 NA MeJP NA NA +MJ090389 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?2)-fucoside] C35H54O13 682.356441 NA MeJP NA NA +MJ090390 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-glucopyranoside] C35H54O13 682.356441 NA MeJP NA NA +MJ090391 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxyguloside] C35H54O13 682.356441 NA MeJP NA NA +MJ090392 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-fucoside] C35H54O13 682.356441 NA MeJP NA NA +MJ090393 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-L-fucopyranoside] C35H54O13 682.356441 NA MeJP NA NA +MJ090394 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1??)-6-deoxy-D-allopyranoside] C35H54O13 682.356441 NA MeJP NA NA +MJ090395 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-fucopyranoside] C35H54O13 682.356441 NA MeJP NA NA +MJ090396 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C35H54O13 682.356441 NA MeJP NA NA +PJ016169 APCKKH C29H50N10O7S 682.3585 NA PeJP NA NA +PJ016170 SQHRR C26H46N14O8 682.3623 NA PeJP NA NA +PJ016171 GSTKKY C30H50N8O10 682.365 NA PeJP NA NA +PJ016172 GKHRW C31H46N12O6 682.3664 NA PeJP NA NA +PJ016173 PLKYY C35H50N6O8 682.369 NA PeJP NA NA +MJ090397 Antibiotic VM 44866; 26-O-(3-Methyl-2-butenoyloxy) C39H54O10 682.371697 NA MeJP NA NA +PJ016174 SPPLNR C29H50N10O9 682.3762 NA PeJP NA NA +PJ016175 GPPKER C29H50N10O9 682.3763 NA PeJP NA NA +MJ090398 Fla-P4; 3-Chloro C44H55ClO4 682.378887 NA MeJP NA NA +PJ016176 GPPVKW C34H50N8O7 682.3803 NA PeJP NA NA +PJ016177 GLLLMH C31H54N8O7S 682.3837 NA PeJP NA NA +PJ016178 GPPTRR C28H50N12O8 682.3875 NA PeJP NA NA +PJ016179 PPKRW C33H50N10O6 682.3915 NA PeJP NA NA +MJ090399 2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione, 23,24-Dihydro, 3-O-?-D-glucopyranoside C36H58O12 682.392827 NA MeJP NA NA +MJ090400 2,3,16,23,24-Pentahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside C36H58O12 682.392827 NA MeJP NA NA +MJ090401 2,3,16,23,24-Pentahydroxy-12-oleanen-28-oic acid, Glycoside C36H58O12 682.392827 NA MeJP NA NA +MJ090402 2,3,19,23,24-Pentahydroxy-12-oleanen-28-oic acid, ?-D-Galactopyranosyl ester C36H58O12 682.392827 NA MeJP NA NA +MJ090403 2,3,19,23,24-Pentahydroxy-12-ursen-28-oic acid, ?-D-Glucopyranosyl ester C36H58O12 682.392827 NA MeJP NA NA +MJ090404 2,3,6,19,23-Pentahydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O12 682.392827 NA MeJP NA NA +MJ090405 2,3,6,19,23-Pentahydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester C36H58O12 682.392827 NA MeJP NA NA +MJ090406 2,3,7,19,23-Pentahydroxy-12-ursen-28-oic acid, ?-D-Glucopyranosyl ester C36H58O12 682.392827 NA MeJP NA NA +MJ090407 20,24-Epoxy-2,3,16,25,26-pentahydroxycucurbit-5-en-11-one, 2-O-?-D-Glucopyranoside C36H58O12 682.392827 NA MeJP NA NA +PJ016180 SKHRR C27H50N14O7 682.3987 NA PeJP NA NA +PJ016181 STLLLH C31H54N8O9 682.4014 NA PeJP NA NA +PJ016182 LLKFY C36H54N6O7 682.4054 NA PeJP NA NA +PJ016183 PPLLLM C33H58N6O7S 682.4088 NA PeJP NA NA +PJ016184 SPPVKR C30H54N10O8 682.4126 NA PeJP NA NA +PJ016185 GGAPLLR C30H54N10O8 682.4127 NA PeJP NA NA +PJ016186 AAPLRR C29H54N12O7 682.4239 NA PeJP NA NA +PJ016187 PVLLLE C33H58N6O9 682.4266 NA PeJP NA NA +MJ090408 Cholest-4-ene-3,7,12,26-tetrol, 4,5-Dihydro, 7-O-(6-O-acetyl-?-D-galactopyranoside), 26-Ac C37H62O11 682.429212 NA MeJP NA NA +MJ090409 Laidlomycin; 26-Deoxy C37H62O11 682.429212 NA MeJP NA NA +3894 temporin H LSPVIGNLLKSLL~ 682.43095 MH2+ Inhouse_peptide NA peptide +PJ016188 PVRRR C28H54N14O6 682.4351 NA PeJP NA NA +PJ016189 PPTLKK C32H58N8O8 682.4378 NA PeJP NA NA +MJ090410 Sartortuic acid; Me ester C41H62O8 682.444468 NA MeJP NA NA +PJ016190 GPLLKR C31H58N10O7 682.449 NA PeJP NA NA +MJ090411 Criamide A; N1-Me C36H58N8O5 682.453017 NA MeJP NA NA +MJ090412 2,6,10,15,19,23-Hexamethyl-2,6,10,12,14,18,22-tetracosaheptaene; 10,11,12,13,14,15-Hexahydro, 10,11,14,15-tetrahydroxy, 14-Ac, 11-O-?-D-mannopyranoside C38H66O10 682.465598 NA MeJP NA NA +PJ016191 PVVLKK C33H62N8O7 682.4742 NA PeJP NA NA +MJ090413 Mutadione D C42H66O7 682.480854 NA MeJP NA NA +PJ016192 VLLLLL C35H66N6O7 682.4993 NA PeJP NA NA +MetaCyc04047 2-octaprenyl-6-methoxy-1,4-benzoquinone [] C47H70O3 682.532496 NA metacyc NA NA +MetaCyc04048 3-octaprenyl-4-hydroxybenzoate [] C47H70O3 682.532496 NA metacyc NA NA +C05809 3-Octaprenyl-4-hydroxybenzoate C47H70O3 682.5325 NA KEGG NA NA +C05813 2-Octaprenyl-6-methoxy-1,4-benzoquinone C47H70O3 682.5325 NA KEGG NA NA +MJ090414 Antibiotic WA 8242; Antibiotic WA 8242A1 C39H74N2O7 682.549602 NA MeJP NA NA +MJ090415 Antibiotic WA 8242; Antibiotic WA 8242A2 C39H74N2O7 682.549602 NA MeJP NA NA +MJ090416 Iristectorene A C44H74O5 682.553625 NA MeJP NA NA +MJ090417 3,13-Oleananediol, 3-Hexadecanoyl C46H82O3 682.626396 NA MeJP NA NA +C04494 Guanosine 3'-diphosphate 5'-triphosphate C10H18N5O20P5 682.9233 NA KEGG NA NA +C04496 Mannosyl-oligosaccharide Glc3Man9GlcNAc2 C10H18N5O20P5 682.9233 NA KEGG NA NA +MJ090418 Guanosine 3'-diphosphate 5'-triphosphate C10H18N5O20P5 682.92332 NA MeJP NA NA +MetaCyc04049 guanosine pentaphosphate [guanosine-5P;] C10H18N5O20P5 682.923321 38918-96-6 metacyc NA NA +MetaCyc04050 guanosine 3'-diphosphate 5'-triphosphate [guanosine pentaphosphate;pppGpp;guanosine 5'-triphosphate,3'-diphosphate;] C10H18N5O20P5 682.923321 NA metacyc NA NA +MJ090419 Bis[N-(2,6-dimethylacetanilido)iminodiacetato]technetate(III)(1-) C28H32N4O10Tc(-) 683.126883 NA MeJP NA NA +MJ090420 Thuringiensin; 6?3-Lactone C22H30N5O18P 683.132345 NA MeJP NA NA +C04856 (6S)-6-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide C21H31N7O15P2 683.1353 NA KEGG NA NA +C04857 2,3-Di-O-acyl-1-O-(6-O-alpha-D-galactosyl-beta-D-galactosyl)-D- C17H26O15R2 683.1353 NA KEGG NA NA +FL7AAGGL0029 Delphinidin 3-(6''-malonylsambubioside) C29H31O19 683.14595 178275-91-7 knapsack NA NA +PJ016193 CCNDDD C22H33N7O14S2 683.1527 NA PeJP NA NA +PJ016194 GSPCCCD C23H37N7O11S3 683.1714 NA PeJP NA NA +FL7AAHGL0019 Petunidin 3-glucoside-5-(6''-acetylglucoside) C30H35O18 683.18233 202661-56-1 knapsack NA NA +PJ016195 CCCNNQ C22H37N9O10S3 683.1826 NA PeJP NA NA +PJ016196 SCNDDM C23H37N7O13S2 683.1891 NA PeJP NA NA +PJ016197 PCCCQM C24H41N7O8S4 683.19 NA PeJP NA NA +PJ016198 GSSCCNN C22H37N9O12S2 683.2003 NA PeJP NA NA +PJ016199 GGGGGSSCC C22H37N9O12S2 683.2004 NA PeJP NA NA +PJ016200 PCCCCR C23H41N9O7S4 683.2012 NA PeJP NA NA +PJ016201 GSCCEW C27H37N7O10S2 683.2044 NA PeJP NA NA +PJ016202 GSSSCDE C23H37N7O15S 683.2069 NA PeJP NA NA +PJ016203 GCNEMM C24H41N7O10S3 683.2077 NA PeJP NA NA +PJ016204 GCCDMR C23H41N9O9S3 683.219 NA PeJP NA NA +PJ016205 SCCWW C31H37N7O7S2 683.2196 NA PeJP NA NA +PJ016206 SSSCDW C27H37N7O12S 683.2221 NA PeJP NA NA +PJ016207 CNMMW C28H41N7O7S3 683.223 NA PeJP NA NA +PJ016208 SSSSSDD C23H37N7O17 683.2246 NA PeJP NA NA +PJ016209 SSNDMM C24H41N7O12S2 683.2255 NA PeJP NA NA +PJ016210 PCCCKM C25H45N7O7S4 683.2264 NA PeJP NA NA +PJ016211 GCCQHH C25H37N11O8S2 683.2268 NA PeJP NA NA +PJ016212 DEEEY C28H37N5O15 683.2286 NA PeJP NA NA +PJ016213 GCNNNY C26H37N9O11S 683.2333 NA PeJP NA NA +PJ016214 GGGCNNY C26H37N9O11S 683.2334 NA PeJP NA NA +PJ016215 SSCCER C23H41N9O11S2 683.2367 NA PeJP NA NA +PJ016216 CNDFW C31H37N7O9S 683.2374 NA PeJP NA NA +PJ016217 GSNDEY C27H37N7O14 683.2399 NA PeJP NA NA +PJ016218 GSTCMW C28H41N7O9S2 683.2407 NA PeJP NA NA +PJ016219 GSSSSEM C24H41N7O14S 683.2432 NA PeJP NA NA +PJ016220 GSQMMM C25H45N7O9S3 683.2441 NA PeJP NA NA +PJ016221 SSCNHH C25H37N11O10S 683.2446 NA PeJP NA NA +PJ016222 EEEMF C29H41N5O12S 683.2473 NA PeJP NA NA +PJ016223 SPNDDH C26H37N9O13 683.2511 NA PeJP NA NA +PJ016224 EMMHH C27H41N9O8S2 683.252 NA PeJP NA NA +PJ016225 SNDYW C31H37N7O11 683.2551 NA PeJP NA NA +PJ016226 ATCCMR C24H45N9O8S3 683.2553 NA PeJP NA NA +PJ016227 GSCMMR C24H45N9O8S3 683.2554 NA PeJP NA NA +PJ016228 CMHFF C32H41N7O6S2 683.256 NA PeJP NA NA +PJ016229 SSSSMW C28H41N7O11S 683.2585 NA PeJP NA NA +PJ016230 SSSSSTE C24H41N7O16 683.261 NA PeJP NA NA +PJ016231 SSTQMM C25H45N7O11S2 683.2619 NA PeJP NA NA +PJ016232 GNNNEH C25H37N11O12 683.2623 NA PeJP NA NA +PJ016233 GGGNNEH C25H37N11O12 683.2624 NA PeJP NA NA +PJ016234 GCCKHH C26H41N11O7S2 683.2632 NA PeJP NA NA +PJ016235 DEHHF C30H37N9O10 683.2664 NA PeJP NA NA +PJ016236 CNERY C27H41N9O10S 683.2697 NA PeJP NA NA +PJ016237 GGPVCDH C27H41N9O10S 683.2698 NA PeJP NA NA +PJ016238 SSTCMR C24H45N9O10S2 683.2731 NA PeJP NA NA +PJ016239 GQMYW C32H41N7O8S 683.2737 NA PeJP NA NA +PJ016240 GGAMYW C32H41N7O8S 683.2738 NA PeJP NA NA +PJ016241 ASSQEY C28H41N7O13 683.2762 NA PeJP NA NA +PJ016242 GSTQEY C28H41N7O13 683.2763 NA PeJP NA NA +PJ016243 APCCKY C29H45N7O8S2 683.2771 NA PeJP NA NA +PJ016244 NNNHW C29H37N11O9 683.2776 NA PeJP NA NA +PJ016245 GSSTTTM C25H45N7O13S 683.2796 NA PeJP NA NA +PJ016246 PEEFY C33H41N5O11 683.2803 NA PeJP NA NA +PJ016247 GSKMMM C26H49N7O8S3 683.2805 NA PeJP NA NA +PJ016248 GPCDHR C26H41N11O9S 683.281 NA PeJP NA NA +PJ016249 LEEMY C30H45N5O11S 683.2837 NA PeJP NA NA +PJ016250 GCRYW C31H41N9O7S 683.285 NA PeJP NA NA +PJ016251 GSSDRY C27H41N9O12 683.2875 NA PeJP NA NA +PJ016252 CQMFR C28H45N9O7S2 683.2884 NA PeJP NA NA +PJ016253 STQYW C32H41N7O10 683.2915 NA PeJP NA NA +MJ090421 Perdeacyldecipinone; 17-(3-Pyridinecarbonyl), 3,7,13-tri-Ac C36H45NO12 683.294175 NA MeJP NA NA +MJ090422 Rifamycin G; 16,17-Didehydro C36H45NO12 683.294175 NA MeJP NA NA +C14727 27-O-Demethyl-rifamycin SV C36H45NO12 683.2942 NA KEGG NA NA +PJ016254 NKEMY C29H45N7O10S 683.2949 NA PeJP NA NA +PJ016255 SSSTTTT C25H45N7O15 683.2974 NA PeJP NA NA +PJ016256 SSTKMM C26H49N7O10S2 683.2982 NA PeJP NA NA +PJ016257 TTTCKM C26H49N7O10S2 683.2983 NA PeJP NA NA +PJ016258 NEEHR C26H41N11O11 683.2987 NA PeJP NA NA +PJ016259 GGGGGDKH C26H41N11O11 683.2988 NA PeJP NA NA +PJ016260 CCFRR C27H45N11O6S2 683.2996 NA PeJP NA NA +PJ016261 LNDHW C31H41N9O9 683.3027 NA PeJP NA NA +PJ016262 VNEHW C31H41N9O9 683.3028 NA PeJP NA NA +PJ016263 SQMRY C28H45N9O9S 683.3061 NA PeJP NA NA +PJ016264 GQFFW C36H41N7O7 683.3068 NA PeJP NA NA +PJ016265 GSNNHR C25H41N13O10 683.31 NA PeJP NA NA +2578 NA PSQQQP 683.31 celiac toxic Inhouse_peptide NA peptide +PJ016266 GKMYW C33H45N7O7S 683.3101 NA PeJP NA NA +PJ016267 GPPPMW C33H45N7O7S 683.3102 NA PeJP NA NA +HMDB03362 Chitin C28H49N3O16 683.311279 NA HMDB2010 NA NA +HMDB03362 Chitin C28H49N3O16 683.31128 http://www.hmdb.ca/metabolites/HMDB03362 HMDB NA NA +HMDB03362 Chitin C28H49N3O16 683.31128 HMDB03362 PFEM_hmdb_metabocards_official NA NA +PJ016268 GSTKEY C29H45N7O12 683.3126 NA PeJP NA NA +PJ016269 PPVNEE C29H45N7O12 683.3127 NA PeJP NA NA +PJ016270 QKMMF C30H49N7O7S2 683.3135 NA PeJP NA NA +PJ016271 GEHRW C30H41N11O8 683.314 NA PeJP NA NA +PJ016272 PLEYY C34H45N5O10 683.3167 NA PeJP NA NA +PJ016273 SCRRY C27H45N11O8S 683.3173 NA PeJP NA NA +PJ016274 GSPMHR C27H45N11O8S 683.3174 NA PeJP NA NA +PJ016275 GVHWW C35H41N9O6 683.318 NA PeJP NA NA +PJ016276 LMHHF C32H45N9O6S 683.3214 NA PeJP NA NA +PJ016277 GSTTRY C28H45N9O11 683.3239 NA PeJP NA NA +MJ090423 Thiazinotrienomycin C C36H49N3O8S 683.324036 NA MeJP NA NA +PJ016278 CKMFR C29H49N9O6S2 683.3247 NA PeJP NA NA +PJ016279 STKYW C33H45N7O9 683.3279 NA PeJP NA NA +PJ016280 HRWW C34H41N11O5 683.3292 NA PeJP NA NA +MJ090424 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-(3S-Dimethylamino-2S-hydroxy-3-phenylpropanoyl), 2,7,13-tri-Ac C37H49NO11 683.330561 NA MeJP NA NA +PJ016281 DKKMY C30H49N7O9S 683.3313 NA PeJP NA NA +PJ016282 DKEHR C27H45N11O10 683.3351 NA PeJP NA NA +7805 ACE inhibitor from as2-casein ALNEINQFYQK 683.3369 MH2+ Inhouse_peptide NA peptide +PJ016283 PPERW C32H45N9O8 683.3391 NA PeJP NA NA +PJ016284 GGGPLHF C32H45N9O8 683.3392 NA PeJP NA NA +PJ016285 SKMRY C29H49N9O8S 683.3425 NA PeJP NA NA +PJ016286 PPVWW C37H45N7O6 683.3432 NA PeJP NA NA +PJ016287 SEHRR C26H45N13O9 683.3463 NA PeJP NA NA +8142 peptide derived from wheat gluten AQIPQQ 683.347 stimulating Inhouse_peptide NA peptide +PJ016288 SSSLKY C30H49N7O11 683.349 NA PeJP NA NA +PJ016289 KKMMF C31H53N7O6S2 683.3499 NA PeJP NA NA +PJ016290 SVHRW C31H45N11O7 683.3504 NA PeJP NA NA +MJ090425 Leucomycin B; Leucomycin B3 C34H53NO13 683.35169 NA MeJP NA NA +PJ016291 LLEFY C35H49N5O9 683.353 NA PeJP NA NA +PJ016292 LQMHR C28H49N11O7S 683.3537 NA PeJP NA NA +PJ016293 GALMHR C28H49N11O7S 683.3538 NA PeJP NA NA +PJ016294 SPPVER C29H49N9O10 683.3603 NA PeJP NA NA +PJ016295 APPTLW C34H49N7O8 683.3643 NA PeJP NA NA +PJ016296 CLHRR C27H49N13O6S 683.365 NA PeJP NA NA +PJ016297 PPVLQM C31H53N7O8S 683.3677 NA PeJP NA NA +MJ090426 Exochelin MN C28H49N11O9 683.371472 NA MeJP NA NA +PJ016298 GTTLHR C28H49N11O9 683.3715 NA PeJP NA NA +PJ016299 TLKHW C33H49N9O7 683.3755 NA PeJP NA NA +MJ090427 Curromycin A; 30-Demethoxy C37H53N3O9 683.37818 NA MeJP NA NA +MJ090428 Oxazolomycin; 13',16-Dimethyl C37H53N3O9 683.37818 NA MeJP NA NA +PJ016300 APPLMR C30H53N9O7S 683.3789 NA PeJP NA NA +PJ016301 PQQRR C27H49N13O8 683.3827 NA PeJP NA NA +PJ016302 GGAAPRR C27H49N13O8 683.3828 NA PeJP NA NA +PJ016303 PPTLKE C31H53N7O10 683.3854 NA PeJP NA NA +PJ016304 PKHFR C32H49N11O6 683.3868 NA PeJP NA NA +MJ090429 Mycinamycin VI; 14?-Hydroxy C35H57NO12 683.388076 NA MeJP NA NA +PJ016305 LLLYY C36H53N5O8 683.3894 NA PeJP NA NA +PJ016306 LKMHR C29H53N11O6S 683.3901 NA PeJP NA NA +PJ016307 SSLLKH C30H53N9O9 683.3966 NA PeJP NA NA +PJ016308 GPLLER C30H53N9O9 683.3967 NA PeJP NA NA +PJ016309 GPVLLW C35H53N7O7 683.4007 NA PeJP NA NA +PJ016310 PPVLKM C32H57N7O7S 683.4041 NA PeJP NA NA +PJ016311 GPVQKR C29H53N11O8 683.4079 NA PeJP NA NA +PJ016312 PLLRW C34H53N9O6 683.4119 NA PeJP NA NA +PJ016313 PQKRR C28H53N13O7 683.4191 NA PeJP NA NA +PJ016314 PVVLKE C32H57N7O9 683.4218 NA PeJP NA NA +MJ090430 Pseudodestruxin A C37H57N5O7 683.425799 NA MeJP NA NA +PJ016315 SPVLLR C31H57N9O8 683.433 NA PeJP NA NA +PJ016316 GGPVVKK C31H57N9O8 683.4331 NA PeJP NA NA +PJ016317 GPVKKR C30H57N11O7 683.4443 NA PeJP NA NA +MJ090431 Antibiotic SF 1902A5 C34H61N5O9 683.446928 NA MeJP NA NA +HMDB08832 PE(14:0/18:4(6Z,9Z,12Z,15Z)) C37H66NO8P 683.452576 NA HMDB2010 NA NA +HMDB08863 PE(14:1(9Z)/18:3(6Z,9Z,12Z)) C37H66NO8P 683.452576 NA HMDB2010 NA NA +HMDB08864 PE(14:1(9Z)/18:3(9Z,12Z,15Z)) C37H66NO8P 683.452576 NA HMDB2010 NA NA +HMDB09119 PE(18:3(6Z,9Z,12Z)/14:1(9Z)) C37H66NO8P 683.452576 NA HMDB2010 NA NA +HMDB09152 PE(18:3(9Z,12Z,15Z)/14:1(9Z)) C37H66NO8P 683.452576 NA HMDB2010 NA NA +HMDB09184 PE(18:4(6Z,9Z,12Z,15Z)/14:0) C37H66NO8P 683.452576 NA HMDB2010 NA NA +PJ016318 PKKRR C29H57N13O6 683.4555 NA PeJP NA NA +PJ016319 PTLLLK C33H61N7O8 683.4582 NA PeJP NA NA +MJ090432 Pregnane-3,20-diamine, N-Hexa-Me C27H52N22(+) 683.466704 NA MeJP NA NA +PJ016320 GLLLLR C32H61N9O7 683.4694 NA PeJP NA NA +PJ016321 VVLLLK C34H65N7O7 683.4946 NA PeJP NA NA +MJ090433 2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxy-24-methylpentacosanoyl) C42H85NO5 683.642774 NA MeJP NA NA +3890 temporin F FLPLIGKVLSGIL~ 683.938 MH2+ Inhouse_peptide NA peptide +MJ090434 Pirazmonam C22H24N10O12S2 684.101657 NA MeJP NA NA +MJ090435 Trianellinone C39H24O12 684.126776 NA MeJP NA NA +PJ016322 CCDDDD C22H32N6O15S2 684.1367 NA PeJP NA NA +MJ090436 Rubroside H C31H35Cl3N2O9 684.140813 NA MeJP NA NA +MetaCyc04051 (6S)-6-β-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide [] C21H32N7O15P2 684.143161 NA metacyc NA NA +MJ090437 Blepharismins; Blepharismin 2 C40H28O11 684.163161 NA MeJP NA NA +PJ016323 CCCNNE C22H36N8O11S3 684.1666 NA PeJP NA NA +PJ016324 SCDDDM C23H36N6O14S2 684.1731 NA PeJP NA NA +PJ016325 PCCCEM C24H40N6O9S4 684.174 NA PeJP NA NA +PJ016326 GCCCNW C26H36N8O8S3 684.1819 NA PeJP NA NA +PJ016327 GSSCCND C22H36N8O13S2 684.1844 NA PeJP NA NA +FL5FDDGS0004 5,2',4'-Trihydroxy-3,7,5'-trimethoxyflavone 2'-galactosyl-(1->4)-glucoside;2-[2-[(4-O-beta-D-Galactopyranosyl-beta-D-glucopyranosyl)oxy]-4-hydroxy-5-methoxyphenyl]-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one C30H36O18 684.19016 345909-83-3 knapsack NA NA +FL5FECGS0031 Chrysosplenol C 6,4'-diglucoside C30H36O18 684.19016 64190-92-7 knapsack NA NA +FL5FECGS0068 Veronicafolin 3-glucosyl-(1->3)-galactoside;Quercetagetin 6,7,3'-trimethyl ether 3-glucosyl-(1->3)-galactoside C30H36O18 684.19016 - knapsack NA NA +FL5FFLGS0001 3,5,2'-Trihydroxy-7,8,4'-trimethoxyflavone 5-glucosyl-(1->2)-galactoside;5-[(2-O-beta-D-Glucopyranosyl-beta-D-galactopyranosyl)oxy]-3-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one C30H36O18 684.19016 527704-25-2 knapsack NA NA +FL5FGAGS0003 7,4'-Dihydroxy-3,5,6,8-tetramethoxyflavone 4'-glucosyl-(1->3)-galactoside C30H36O18 684.19016 - knapsack NA NA +FL5FGCGL0002 Limocitrol 3-neohesperidoside C30H36O18 684.19016 122327-80-4 knapsack NA NA +MJ090438 2',4',5,5',6,7-Hexahydroxyflavone; 2',5',6-Tri-Me ether, 4',7-di-O-?-D-glucopyranoside C30H36O18 684.190164 NA MeJP NA NA +MJ090439 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',6,8-Tri-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C30H36O18 684.190164 NA MeJP NA NA +MJ090440 3,3',4',5,6,7-Hexahydroxyflavone; 4',6,7-Tri-Me ether, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] C30H36O18 684.190164 NA MeJP NA NA +MJ090441 3,3',5-Trihydroxy-4',6,7-trimethoxyflavone; 3-O-Digalactoside C30H36O18 684.190164 NA MeJP NA NA +MJ090442 3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-[?-D-Glucopyranosyl-(?4)-3,4-dihydroxy-E-cinnamoyl], 4'-O-?-D-glucopyranoside C30H36O18 684.190164 NA MeJP NA NA +MJ090443 Clemochinenoside A C30H36O18 684.190164 NA MeJP NA NA +PJ016328 GCDEMM C24H40N6O11S3 684.1918 NA PeJP NA NA +PJ016329 SCCNQM C23H40N8O10S3 684.203 NA PeJP NA NA +MJ090444 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1,2,9-Tris(3-furancarbonyl), 6,14-di-Ac C34H36O15 684.20542 NA MeJP NA NA +MJ090445 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, Tris(3-furancarbonyl), di-Ac C34H36O15 684.20542 NA MeJP NA NA +MJ090446 1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, Tris(3-furancarbonyl), di-Ac C34H36O15 684.20542 NA MeJP NA NA +PJ016330 GCDDEF C27H36N6O13S 684.2061 NA PeJP NA NA +PJ016331 CDMMW C28H40N6O8S3 684.207 NA PeJP NA NA +PJ016332 SSDDMM C24H40N6O13S2 684.2095 NA PeJP NA NA +PJ016333 PTCCMM C25H44N6O8S4 684.2104 NA PeJP NA NA +PJ016334 ACCDHH C25H36N10O9S2 684.2108 NA PeJP NA NA +PJ016335 GCCEHH C25H36N10O9S2 684.2109 NA PeJP NA NA +PJ016336 SCCCNR C22H40N10O9S3 684.2142 NA PeJP NA NA +PJ016337 GCNNDY C26H36N8O12S 684.2174 NA PeJP NA NA +PJ016338 GSSSCNM C23H40N8O12S2 684.2207 NA PeJP NA NA +PJ016339 CDDFW C31H36N6O10S 684.2214 NA PeJP NA NA +PJ016340 GSDDEY C27H36N6O15 684.2239 NA PeJP NA NA +PJ016341 GPCDMY C28H40N6O10S2 684.2248 NA PeJP NA NA +PJ016342 CCHHW C29H36N10O6S2 684.2261 NA PeJP NA NA +MJ090447 Catalpol; 6-O-[(4-Hydroxy-3-methoxy-E-cinnamoyl)-(?3)-?-L-rhamnopyranoside] C31H40O17 684.226549 NA MeJP NA NA +MJ090448 Catalpol; 6-O-[(4-Hydroxy-3-methoxy-Z-cinnamoyl)-(?4)-?-L-rhamnopyranoside] C31H40O17 684.226549 NA MeJP NA NA +MJ090449 Loganic acid; 7-O-[?-D-Glucopyranosyl-(1?4)-4-hydroxy-E-cinnamoyl] C31H40O17 684.226549 NA MeJP NA NA +PJ016343 GSEMMM C25H44N6O10S3 684.2281 NA PeJP NA NA +PJ016344 SSCDHH C25H36N10O11S 684.2286 NA PeJP NA NA +MJ090450 Citbismine B; N10'-Me C37H36N2O11 684.23191 NA MeJP NA NA +PJ016345 SPDDDH C26H36N8O14 684.2351 NA PeJP NA NA +PJ016346 GCNNMF C27H40N8O9S2 684.236 NA PeJP NA NA +PJ016347 SSSSSCQ C23H40N8O14S 684.2385 NA PeJP NA NA +PJ016348 SDDYW C31H36N6O12 684.2391 NA PeJP NA NA +PJ016349 SCCNKM C24H44N8O9S3 684.2394 NA PeJP NA NA +PJ016350 NEEMY C28H40N6O12S 684.2425 NA PeJP NA NA +PJ016351 SMMMW C29H44N6O7S3 684.2434 NA PeJP NA NA +PJ016352 SSTEMM C25H44N6O12S2 684.2459 NA PeJP NA NA +PJ016353 GNNDEH C25H36N10O13 684.2464 NA PeJP NA NA +PJ016354 AAMMMM C26H48N6O7S4 684.2468 NA PeJP NA NA +PJ016355 GTCMHH C26H40N10O8S2 684.2472 NA PeJP NA NA +PJ016356 GSNNMY C27H40N8O11S 684.2537 NA PeJP NA NA +PJ016357 CDERY C27H40N8O11S 684.2538 NA PeJP NA NA +PJ016358 GSSSSSSS C23H40N8O16 684.2562 NA PeJP NA NA +PJ016359 GSSTCCK C24H44N8O11S2 684.2571 NA PeJP NA NA +PJ016360 GEMYW C32H40N6O9S 684.2578 NA PeJP NA NA +PJ016361 GSTEEY C28H40N6O14 684.2603 NA PeJP NA NA +PJ016362 GSPMMY C29H44N6O9S2 684.2611 NA PeJP NA NA +PJ016363 GAEMMF C29H44N6O9S2 684.2612 NA PeJP NA NA +PJ016364 NNDHW C29H36N10O10 684.2616 NA PeJP NA NA +MJ090451 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether, 4,4'-di-O-?-D-glucopyranoside C32H44O16 684.262935 NA MeJP NA NA +MJ090452 Bruceolide; 15-(3-Methylbutanoyl), 3-O-?-D-glucopyranoside C32H44O16 684.262935 NA MeJP NA NA +MJ090453 Bruceosin; 2',3'-Dihydro, 2-O-?-D-glucopyranoside C32H44O16 684.262935 NA MeJP NA NA +MJ090454 Yadanzioside D; 15-De-Ac, 15-(3-methyl-2-butenoyl) C32H44O16 684.262935 NA MeJP NA NA +PJ016365 ATTMMM C26H48N6O9S3 684.2645 NA PeJP NA NA +PJ016366 SSSMHH C26H40N10O10S 684.265 NA PeJP NA NA +MJ090455 Thomasic acid, 9'-Carboxylic acid, bis(4-hydroxyphenylethylamide) C38H40N2O10 684.268295 NA MeJP NA NA +PJ016367 PDMHW C31H40N8O8S 684.269 NA PeJP NA NA +PJ016368 SSSNQY C27H40N8O13 684.2715 NA PeJP NA NA +PJ016369 CEMFR C28H44N8O8S2 684.2724 NA PeJP NA NA +PJ016370 MYWW C36H40N6O6S 684.273 NA PeJP NA NA +PJ016371 SSSSSCK C24H44N8O13S 684.2749 NA PeJP NA NA +PJ016372 STEYW C32H40N6O11 684.2755 NA PeJP NA NA +PJ016373 TCCCKK C25H48N8O8S3 684.2758 NA PeJP NA NA +PJ016374 AMMFW C33H44N6O6S2 684.2764 NA PeJP NA NA +MJ090456 EP4 C36H44O13 684.278191 NA MeJP NA NA +MJ090457 Humilinolide A; 3-Deacyl, 3-tigloyl, 2,6-di-Ac C36H44O13 684.278191 NA MeJP NA NA +MJ090458 Mombasol; 2'-Ketone C36H44O13 684.278191 NA MeJP NA NA +MJ090459 Picrioside A; 11?,13-Dihydro C36H44O13 684.278191 NA MeJP NA NA +PJ016375 DKEMY C29H44N6O11S 684.2789 NA PeJP NA NA +PJ016376 NMHHF C30H40N10O7S 684.2802 NA PeJP NA NA +PJ016377 GGMHHF C30H40N10O7S 684.2803 NA PeJP NA NA +PJ016378 TTTTMM C26H48N6O11S2 684.2823 NA PeJP NA NA +PJ016379 DEEHR C26H40N10O12 684.2827 NA PeJP NA NA +PJ016380 GGGTQEH C26H40N10O12 684.2828 NA PeJP NA NA +PJ016381 VDEHW C31H40N8O10 684.2868 NA PeJP NA NA +MJ090460 Antibiotic 301B; 5-O-Deglycosyl C35H44N2O12 684.289424 NA MeJP NA NA +PJ016382 SEMRY C28H44N8O10S 684.2901 NA PeJP NA NA +PJ016383 GGGPPPTC C28H44N8O10S 684.2902 NA PeJP NA NA +PJ016384 GPYYW C36H40N6O8 684.2908 NA PeJP NA NA +PJ016385 GSNDHR C25H40N12O11 684.294 NA PeJP NA NA +PJ016386 SVMYW C33H44N6O8S 684.2941 NA PeJP NA NA +PJ016387 GAPMFY C33H44N6O8S 684.2942 NA PeJP NA NA +PJ016388 SSSLEY C29H44N6O13 684.2966 NA PeJP NA NA +PJ016389 ATTTEY C29H44N6O13 684.2967 NA PeJP NA NA +PJ016390 LQMMY C30H48N6O8S2 684.2975 NA PeJP NA NA +PJ016391 SQQHW C30H40N10O9 684.298 NA PeJP NA NA +PJ016392 AAQQMH C27H44N10O9S 684.3014 NA PeJP NA NA +MJ090461 Thalidasine; 5-Hydroxy, N2-oxide (?-) C39H44N2O9 684.304681 NA MeJP NA NA +MJ090462 Thalifaberine; 5'-Hydroxy, O3,O9-di-de-Me C39H44N2O9 684.304681 NA MeJP NA NA +PJ016393 PCFRY C32H44N8O7S 684.3054 NA PeJP NA NA +PJ016394 FFWW C40H40N6O5 684.306 NA PeJP NA NA +PJ016395 SSSNKY C28H44N8O12 684.3079 NA PeJP NA NA +PJ016396 CLMRY C29H48N8O7S2 684.3088 NA PeJP NA NA +PJ016397 GPTHHH C29H40N12O8 684.3092 NA PeJP NA NA +MJ090463 Brassicicolin A C32H48N2O14 684.310554 NA MeJP NA NA +PJ016398 PDKYY C33H44N6O10 684.3119 NA PeJP NA NA +PJ016399 NQMHR C26H44N12O8S 684.3126 NA PeJP NA NA +MJ090464 3,5,7,8,14,15-Hexahydroxy-6(17),11-jatrophadien-9-one, 3-Benzoyl, 8-(2-methylpropanoyl), 5,7,14-tri-Ac C37H48O12 684.314577 NA MeJP NA NA +PJ016400 GTTLMY C30H48N6O10S 684.3153 NA PeJP NA NA +C18005 gamma-L-Glutamyl-butirosin B C26H48N6O15 684.3178 NA KEGG NA NA +C18006 gamma-L-Glutamyl-[acp] C5H8NO3SR 684.3178 NA KEGG NA NA +C18007 4-Aminobutyryl-[acp] C4H8NOSR 684.3178 NA KEGG NA NA +C18008 gamma-L-Glutamyl-4-aminobutyryl-[acp] C9H15N2O4SR 684.3178 NA KEGG NA NA +C18009 gamma-L-Glutamyl-4-amino-2-hydroxybutyryl-[acp] C9H15N2O5SR 684.3178 NA KEGG NA NA +PJ016401 SPPNDR C27H44N10O11 684.3191 NA PeJP NA NA +PJ016402 GGGGGGPVQ C27H44N10O11 684.3192 NA PeJP NA NA +PJ016403 TLEHW C32H44N8O9 684.3231 NA PeJP NA NA +PJ016404 GPPTQW C32H44N8O9 684.3232 NA PeJP NA NA +PJ016405 CNHRR C25H44N14O7S 684.3238 NA PeJP NA NA +PJ016406 GGCHRR C25H44N14O7S 684.3239 NA PeJP NA NA +MJ090465 Alldimycin B; 4-Deoxy C36H48N2O11 684.32581 NA MeJP NA NA +MJ090466 Antibiotic K 502; Antibiotic K 502C C36H48N2O11 684.32581 NA MeJP NA NA +MJ090467 Roseorubicin A; 4B-Deglycosyl C36H48N2O11 684.32581 NA MeJP NA NA +PJ016407 GSCKKY C29H48N8O9S 684.3265 NA PeJP NA NA +PJ016408 GLFYW C37H44N6O7 684.3272 NA PeJP NA NA +MJ090468 Ohchinin; 3-O-Tigloyl C41H48O9 684.329833 NA MeJP NA NA +PJ016409 GSTQHR C26H44N12O10 684.3304 NA PeJP NA NA +PJ016410 PKMFY C34H48N6O7S 684.3305 NA PeJP NA NA +PJ016411 GALMFF C34H48N6O7S 684.3306 NA PeJP NA NA +MJ090469 Serpentinine C42H44N4O5 684.33117 NA MeJP NA NA +PJ016412 STTTLY C30H48N6O12 684.333 NA PeJP NA NA +PJ016413 PPTLEE C30H48N6O12 684.3331 NA PeJP NA NA +PJ016414 LKMMY C31H52N6O7S2 684.3339 NA PeJP NA NA +PJ016415 SQKHW C31H44N10O8 684.3344 NA PeJP NA NA +MJ090470 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?5)-xylofuranoside] C34H52O14 684.335706 NA MeJP NA NA +MJ090471 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-allopyranoside] C34H52O14 684.335706 NA MeJP NA NA +MJ090472 4,18:11,16:15,16-Triepoxy-2,6,15,19-clerodanetetrol, 19-[3S-[3S-(3S-Hydroxybutanoyloxy)butanoyloxy]butanoyl], 6-Ac C34H52O14 684.335706 NA MeJP NA NA +PJ016416 LEMHR C28H48N10O8S 684.3378 NA PeJP NA NA +PJ016417 PVHFW C36H44N8O6 684.3384 NA PeJP NA NA +PJ016418 VLMHW C33H48N8O6S 684.3418 NA PeJP NA NA +PJ016419 SSLLEH C29H48N8O11 684.3443 NA PeJP NA NA +PJ016420 AALHHH C30H44N12O7 684.3456 NA PeJP NA NA +7514 ACE inhibitor (from soy protein) NWGPLV 684.3469 antioxidative Inhouse_peptide NA peptide +PJ016421 VLQYY C34H48N6O9 684.3483 NA PeJP NA NA +PJ016422 GPPCRR C27H48N12O7S 684.349 NA PeJP NA NA +MJ090473 Dregeana 3 C38H52O11 684.350962 NA MeJP NA NA +MJ090474 Heudelottin E C38H52O11 684.350962 NA MeJP NA NA +MJ090475 Wikstrotoxin C C38H52O11 684.350962 NA MeJP NA NA +PJ016423 PPVLEM C31H52N6O9S 684.3517 NA PeJP NA NA +8252 anticancer peptide EQRPR 684.354 Tripeptides ;SYN:(+)-Pantothenate; (+)-Pantothenic acid; (D)-(+)-Pantothenate; (D)-(+)-Pantothenic acid; Chick antidermatitis factor; D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-b-alanine; D-Pantothenate; D-Pantothenic acid; Pantothenate; Vitamin B5; D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine; delta-Pantothenate; delta-Pantothenic acid; (R)-pantothenateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ016424 GPVQER C28H48N10O10 684.3555 NA PeJP NA NA +PJ016425 VHHHR C29H44N14O6 684.3569 NA PeJP NA NA +PJ016426 GPPTKW C33H48N8O8 684.3595 NA PeJP NA NA +MJ090476 Delectinine; O18-(2-Acetamidobenzoyl), O14-(2-methylpropanoyl) C37H52N2O10 684.362195 NA MeJP NA NA +MJ090477 Marinobufagin; O3-(L-Glutaminylsuberoyl) C37H52N2O10 684.362195 NA MeJP NA NA +PJ016427 ATLLMH C30H52N8O8S 684.3629 NA PeJP NA NA +PJ016428 PKFFF C38H48N6O6 684.3636 NA PeJP NA NA +PJ016429 PQERR C27H48N12O9 684.3667 NA PeJP NA NA +PJ016430 GAPERR C27H48N12O9 684.3668 NA PeJP NA NA +PJ016431 LKMFF C35H52N6O6S 684.3669 NA PeJP NA NA +MJ090478 Raureflexine C43H48N4O4 684.367556 NA MeJP NA NA +PJ016432 PVVLEE C31H52N6O11 684.3694 NA PeJP NA NA +PJ016433 PVQRW C32H48N10O7 684.3708 NA PeJP NA NA +MJ090479 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranoside] C35H56O13 684.372091 NA MeJP NA NA +MJ090480 Chalcomycin; 8-Deoxy C35H56O13 684.372091 NA MeJP NA NA +MJ090481 Spirostane-2,3,5,6,24-pentol, 3-Ac, 2-O-?-D-glucopyranoside C35H56O13 684.372091 NA MeJP NA NA +PJ016434 GPPKMR C29H52N10O7S 684.3742 NA PeJP NA NA +PJ016435 TTTLLH C30H52N8O10 684.3807 NA PeJP NA NA +PJ016436 APRRW C31H48N12O6 684.382 NA PeJP NA NA +PJ016437 VLKYY C35H52N6O8 684.3847 NA PeJP NA NA +MJ090482 22,23-Dihydroxymilbemycin ?1; O5-Me, 23-O-(2,4-dimethyl-2-pentenoyl) C39H56O10 684.387348 NA MeJP NA NA +MJ090483 Antibiotic VM 44866; 13?-(2-Methylpropanoyloxy), 5-Me ether C39H56O10 684.387348 NA MeJP NA NA +MJ090484 Antibiotic VM 44866; 26-O-(3-Methylbutanoyloxy) C39H56O10 684.387348 NA MeJP NA NA +PJ016438 GPVKER C29H52N10O9 684.3919 NA PeJP NA NA +PJ016439 AAPLKW C34H52N8O7 684.3959 NA PeJP NA NA +PJ016440 PPCLKK C31H56N8O7S 684.3993 NA PeJP NA NA +PJ016441 PKERR C28H52N12O8 684.4031 NA PeJP NA NA +PJ016442 PTLLLE C32H56N6O10 684.4058 NA PeJP NA NA +PJ016443 PVKRW C33H52N10O6 684.4072 NA PeJP NA NA +MJ090485 3,14-Dihydroxybufa-20,22-dienolide, 3-(Arginylpimeloyl) C37H56N4O8 684.409814 NA MeJP NA NA +PJ016444 PTRRR C27H52N14O7 684.4144 NA PeJP NA NA +PJ016445 SPLLQK C31H56N8O9 684.417 NA PeJP NA NA +PJ016446 APLKKE C31H56N8O9 684.4171 NA PeJP NA NA +PJ016447 PPVLLF C36H56N6O7 684.4211 NA PeJP NA NA +PJ016448 PVLLLM C33H60N6O7S 684.4245 NA PeJP NA NA +PJ016449 APTLKR C30H56N10O8 684.4283 NA PeJP NA NA +MJ090486 Mytiloxanthin; 19-Butanoyloxy C44H60O6 684.438989 NA MeJP NA NA +PJ016450 LLQRR C29H56N12O7 684.4395 NA PeJP NA NA +PJ016451 VVLLLE C33H60N6O9 684.4422 NA PeJP NA NA +MJ090487 Kijimycin C37H64O11 684.444862 NA MeJP NA NA +MJ090488 Monensin; Monensin C C37H64O11 684.444862 NA MeJP NA NA +PJ016452 VVRRR C28H56N14O6 684.4508 NA PeJP NA NA +PJ016453 SPLLKK C32H60N8O8 684.4534 NA PeJP NA NA +PJ016454 GAALLLK C32H60N8O8 684.4535 NA PeJP NA NA +MJ090489 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 21-(2-Hydroxymethyl-6-methoxy-6-methyl-2,7-octadienoyl) C41H64O8 684.460119 NA MeJP NA NA +MJ090490 Prednisolone; 21-(Octadecanoyloxyacetate) C41H64O8 684.460119 NA MeJP NA NA +PJ016455 GVLLKR C31H60N10O7 684.4647 NA PeJP NA NA +PJ016456 LLKRR C30H60N12O6 684.4759 NA PeJP NA NA +PJ016457 TLLLLL C34H64N6O8 684.4786 NA PeJP NA NA +PJ016458 ALLLKK C33H64N8O7 684.4898 NA PeJP NA NA +MJ090491 Methionaquinone C46H68O2S 684.494002 NA MeJP NA NA +MJ090492 Petroformyne 1; 6S-Hydroxy C46H68O4 684.51176 NA MeJP NA NA +MJ090493 Squalamine; N?-(3-Aminopropyl) C37H72N4O5S 684.522342 NA MeJP NA NA +MJ090494 13-Labdene-8,15-diol, 15,15'-Malonyl diester C43H72O6 684.53289 NA MeJP NA NA +MJ090495 Iristectorene A; 9',10'-Dihydro C44H76O5 684.569275 NA MeJP NA NA +MJ090496 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Pentatriacontyl ester C45H80O4 684.605661 NA MeJP NA NA +8148 peptide derived from rice bran proteins (Oryza sativa) YFPVGGDRPESF 684.80745 MH2+ Inhouse_peptide NA peptide +MetaCyc04052 3-dephospho-CoA [] C21H33N7O13P2S1 685.133228 NA metacyc NA NA +PJ016459 CCCNDE C22H35N7O12S3 685.1506 NA PeJP NA NA +PJ016460 GCCCDW C26H35N7O9S3 685.1659 NA PeJP NA NA +PJ016461 GSSCCDD C22H35N7O14S2 685.1684 NA PeJP NA NA +PJ016462 GPTCCCC C23H39N7O9S4 685.1692 NA PeJP NA NA +PJ016463 SCCNEM C23H39N7O11S3 685.187 NA PeJP NA NA +PJ016464 SCCCDR C22H39N9O10S3 685.1982 NA PeJP NA NA +PJ016465 GCNDDY C26H35N7O13S 685.2014 NA PeJP NA NA +PJ016466 GSCCMW C27H39N7O8S3 685.2023 NA PeJP NA NA +PJ016467 GSSTCCE C23H39N7O13S2 685.2047 NA PeJP NA NA +PJ016468 GSSSCDM C23H39N7O13S2 685.2048 NA PeJP NA NA +PJ016469 GCNMMM C24H43N7O8S4 685.2056 NA PeJP NA NA +PJ016470 ACCCMR C23H43N9O7S4 685.2169 NA PeJP NA NA +PJ016471 SSTCCW C27H39N7O10S2 685.22 NA PeJP NA NA +PJ016472 SSSSSCE C23H39N7O15S 685.2225 NA PeJP NA NA +PJ016473 SSCQMM C24H43N7O10S3 685.2234 NA PeJP NA NA +PJ016474 DEEMY C28H39N5O13S 685.2265 NA PeJP NA NA +PJ016475 GNDDEH C25H35N9O14 685.2304 NA PeJP NA NA +PJ016476 SSCCMR C23H43N9O9S3 685.2346 NA PeJP NA NA +PJ016477 CCQFW C31H39N7O7S2 685.2353 NA PeJP NA NA +PJ016478 GSNDMY C27H39N7O12S 685.2378 NA PeJP NA NA +PJ016479 GSSSSMM C24H43N7O12S2 685.2411 NA PeJP NA NA +PJ016480 ACCKMM C25H47N7O7S4 685.242 NA PeJP NA NA +PJ016481 EEMMF C29H43N5O10S2 685.2452 NA PeJP NA NA +PJ016482 NDDHW C29H35N9O11 685.2456 NA PeJP NA NA +PJ016483 SPCNEH C26H39N9O11S 685.249 NA PeJP NA NA +PJ016484 MMMHH C27H43N9O6S3 685.2499 NA PeJP NA NA +PJ016485 SCQYW C31H39N7O9S 685.253 NA PeJP NA NA +PJ016486 SSSNEY C27H39N7O14 685.2555 NA PeJP NA NA +PJ016487 NQMMY C28H43N7O9S2 685.2564 NA PeJP NA NA +MJ090497 Ipecosidic acid; 1-Epimer, 6-Me ether, N-de-Ac, 6''-O-?-D-glucopyranosyl C31H43NO16 685.258184 NA MeJP NA NA +PJ016488 SSSSSTM C24H43N7O14S 685.2589 NA PeJP NA NA +PJ016489 PDEYY C32H39N5O12 685.2595 NA PeJP NA NA +PJ016490 DEEFF C32H39N5O12 685.2596 NA PeJP NA NA +PJ016491 SSCKMM C25H47N7O9S3 685.2598 NA PeJP NA NA +PJ016492 GNNNMH C25H39N11O10S 685.2602 NA PeJP NA NA +PJ016493 GGGGGNMH C25H39N11O10S 685.2603 NA PeJP NA NA +PJ016494 GSPCHW C30H39N9O8S 685.2643 NA PeJP NA NA +PJ016495 GSQEEH C26H39N9O13 685.2668 NA PeJP NA NA +PJ016496 CNMRY C27H43N9O8S2 685.2676 NA PeJP NA NA +PJ016497 GSSSYW C31H39N7O11 685.2708 NA PeJP NA NA +PJ016498 CCKFW C32H43N7O6S2 685.2716 NA PeJP NA NA +MJ090498 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl), 9-(3-furancarbonyl), 14-(2-methylbutanoyl), 2,6-di-Ac C35H43NO13 685.27344 NA MeJP NA NA +MJ090499 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1-(3-furancarbonyl), 6-(2-methylbutanoyl), 2,14-di-Ac C35H43NO13 685.27344 NA MeJP NA NA +MJ090500 Auramycin C C35H43NO13 685.27344 NA MeJP NA NA +PJ016499 GSTQMY C28H43N7O11S 685.2741 NA PeJP NA NA +PJ016500 GGGTTMY C28H43N7O11S 685.2742 NA PeJP NA NA +PJ016501 GSDDHR C25H39N11O12 685.278 NA PeJP NA NA +PJ016502 PEMFY C33H43N5O9S 685.2782 NA PeJP NA NA +PJ016503 APCCHR C26H43N11O7S2 685.2789 NA PeJP NA NA +PJ016504 LEMMY C30H47N5O9S2 685.2815 NA PeJP NA NA +PJ016505 SQEHW C30H39N9O10 685.282 NA PeJP NA NA +PJ016506 GSTCRY C27H43N9O10S 685.2854 NA PeJP NA NA +PJ016507 GNFYW C35H39N7O8 685.286 NA PeJP NA NA +PJ016508 SCKYW C32H43N7O8S 685.2894 NA PeJP NA NA +PJ016509 SSSDKY C28H43N7O13 685.2919 NA PeJP NA NA +MJ090501 Antibiotic CP 50833 C36H47NO10S 685.292067 NA MeJP NA NA +PJ016510 NKMMY C29H47N7O8S2 685.2928 NA PeJP NA NA +PJ016511 VEEFY C33H43N5O11 685.2959 NA PeJP NA NA +PJ016512 NEMHR C26H43N11O9S 685.2966 NA PeJP NA NA +PJ016513 GTHWW C34H39N9O7 685.2973 NA PeJP NA NA +PJ016514 VNMHW C31H43N9O7S 685.3006 NA PeJP NA NA +PJ016515 GGVMHW C31H43N9O7S 685.3007 NA PeJP NA NA +PJ016516 SSSSRY C27H43N9O12 685.3031 NA PeJP NA NA +PJ016517 SPPDDR C27H43N9O12 685.3032 NA PeJP NA NA +PJ016518 APCKMH C28H47N9O7S2 685.304 NA PeJP NA NA +PJ016519 QQHHH C28H39N13O8 685.3045 NA PeJP NA NA +PJ016520 GPPTEW C32H43N7O10 685.3072 NA PeJP NA NA +PJ016521 CDHRR C25H43N13O8S 685.3079 NA PeJP NA NA +3642 NA YPFGFG~ 685.309 ACE inhibitor Inhouse_peptide NA peptide +MJ090502 Rifamycin G C36H47NO12 685.309825 NA MeJP NA NA +PJ016522 GSTKMY C29H47N7O10S 685.3105 NA PeJP NA NA +PJ016523 GPPVVCD C29H47N7O10S 685.3106 NA PeJP NA NA +PJ016524 PPFYY C37H43N5O8 685.3112 NA PeJP NA NA +PJ016525 GMHRW C30H43N11O6S 685.3119 NA PeJP NA NA +PJ016526 GSTEHR C26H43N11O11 685.3144 NA PeJP NA NA +PJ016527 PLMYY C34H47N5O8S 685.3145 NA PeJP NA NA +PJ016528 LEMFF C34H47N5O8S 685.3146 NA PeJP NA NA +PJ016529 SKEHW C31H43N9O9 685.3184 NA PeJP NA NA +PJ016530 GPPEMR C28H47N9O9S 685.3218 NA PeJP NA NA +PJ016531 PPTWW C36H43N7O7 685.3224 NA PeJP NA NA +MJ090503 Naphthomycin A; 30-Dechloro C40H47NO9 685.325082 NA MeJP NA NA +MJ090504 Tuberactinomycin N C25H43N13O10 685.325584 NA MeJP NA NA +MJ090505 Viomycin C25H43N13O10 685.325584 NA MeJP NA NA +MetaCyc04053 viomycin [Tuberactinomycin B;Celiomycin;Florimycin;Viocin;Vionactane;] C25H43N13O10 685.325585 NA metacyc NA NA +MetaCyc04054 enviomycin [Tuberactinomycin N;(R)-1-(threo-4-Hydroxy-L-3,6-diaminohexanoic acid)-6-[L-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)glycine]viomycin;] C25H43N13O10 685.325585 NA metacyc NA NA +C01540 Viomycin C25H43N13O10 685.3256 NA KEGG NA NA +PJ016532 GPPVMW C33H47N7O7S 685.3258 NA PeJP NA NA +MJ090506 Adouetine Z; N-De-Me C41H43N5O5 685.326419 NA MeJP NA NA +PJ016533 SSTTKY C29H47N7O12 685.3283 NA PeJP NA NA +PJ016534 STHRW C30H43N11O8 685.3296 NA PeJP NA NA +PJ016535 GGGGPRW C30H43N11O8 685.3297 NA PeJP NA NA +PJ016536 VLEYY C34H47N5O10 685.3323 NA PeJP NA NA +PJ016537 DKMHR C27H47N11O8S 685.333 NA PeJP NA NA +PJ016538 VHHFF C35H43N9O6 685.3337 NA PeJP NA NA +PJ016539 PPMRW C32H47N9O6S 685.337 NA PeJP NA NA +PJ016540 GPVEER C28H47N9O11 685.3395 NA PeJP NA NA +MJ090507 Antrimycin; Antrimycin A C28H47N9O11 685.339503 NA MeJP NA NA +MJ090508 Antrimycin; Antrimycin Bv C28H47N9O11 685.339503 NA MeJP NA NA +PJ016541 GGGGPVDK C28H47N9O11 685.3396 NA PeJP NA NA +PJ016542 QKHHH C29H43N13O7 685.3409 NA PeJP NA NA +PJ016543 SSPPLW C33H47N7O9 685.3435 NA PeJP NA NA +PJ016544 AAPLEW C33H47N7O9 685.3436 NA PeJP NA NA +PJ016545 SMHRR C26H47N13O7S 685.3442 NA PeJP NA NA +MJ090509 4-Methylaconitane-1,3,6,8,14,16,18-heptol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-(4-methoxybenzoyl), 3,8-di-Ac C37H51NO11 685.346211 NA MeJP NA NA +PJ016546 PPVDKM C30H51N7O9S 685.3469 NA PeJP NA NA +PJ016547 PLFFY C38H47N5O7 685.3476 NA PeJP NA NA +3271 NA VTGRGDSPASSKPI 685.35 MH2+ Inhouse_peptide NA peptide +PJ016548 PEERR C27H47N11O10 685.3508 NA PeJP NA NA +PJ016549 LLMFY C35H51N5O7S 685.3509 NA PeJP NA NA +PJ016550 PVERW C32H47N9O8 685.3548 NA PeJP NA NA +C08661 Avadharidine C36H51N3O10 685.3574 NA KEGG NA NA +MJ090510 Avadharidine C36H51N3O10 685.357444 NA MeJP NA NA +PJ016551 SPPVMR C29H51N9O8S 685.3582 NA PeJP NA NA +PJ016552 PVVWW C37H47N7O6 685.3588 NA PeJP NA NA +PJ016553 GSPNRR C26H47N13O9 685.362 NA PeJP NA NA +PJ016554 APLKEE C30H51N7O11 685.3647 NA PeJP NA NA +MJ090511 Polymastiamide A C38H55NO8S 685.364838 NA MeJP NA NA +PJ016555 VQHFR C31H47N11O7 685.366 NA PeJP NA NA +PJ016556 APTLER C29H51N9O10 685.3759 NA PeJP NA NA +PJ016557 AHFRR C30H47N13O6 685.3773 NA PeJP NA NA +PJ016558 GPTLLW C34H51N7O8 685.3799 NA PeJP NA NA +PJ016559 GGPPVLF C34H51N7O8 685.38 NA PeJP NA NA +PJ016560 PPTLKM C31H55N7O8S 685.3833 NA PeJP NA NA +MJ090512 2-[[[5-(2,6-Dimethoxyphenyl)-1-[4-[[[3-(dimethylamino)propyl]methylamino]carbonyl]-2-(1-methylethyl)phenyl]-1H-pyrazol-3-yl]carbonyl]amino]tricyclo[3.3.1.13,7]decane-2-carboxylic acid C39H51N5O6 685.383934 NA MeJP NA NA +PJ016561 LLFFF C39H51N5O6 685.384 NA PeJP NA NA +PJ016562 GPTQKR C28H51N11O9 685.3871 NA PeJP NA NA +PJ016563 ASPQKR C28H51N11O9 685.3872 NA PeJP NA NA +MJ090513 ?-Substance IB C33H51N9O7 685.391145 NA MeJP NA NA +PJ016564 PQKKW C33H51N9O7 685.3912 NA PeJP NA NA +PJ016565 GPLLMR C30H55N9O7S 685.3946 NA PeJP NA NA +PJ016566 VQQRR C27H51N13O8 685.3984 NA PeJP NA NA +PJ016567 SPLLKE C31H55N7O10 685.4011 NA PeJP NA NA +PJ016568 VKHFR C32H51N11O6 685.4024 NA PeJP NA NA +PJ016569 AQRRR C26H51N15O7 685.4096 NA PeJP NA NA +PJ016570 GVLLER C30H55N9O9 685.4123 NA PeJP NA NA +PJ016571 AALLLW C35H55N7O7 685.4163 NA PeJP NA NA +MJ090514 Pregna-5,20-dien-3-ol, 3-O-(2-Acetamido-3-O-acetyl-2-deoxy-4,6-di-O-butanoyl-?-D-galactopyranoside) C39H59NO9 685.418982 NA MeJP NA NA +PJ016572 PVVLKM C32H59N7O7S 685.4197 NA PeJP NA NA +PJ016573 LLERR C29H55N11O8 685.4235 NA PeJP NA NA +PJ016574 GGGVLKR C29H55N11O8 685.4236 NA PeJP NA NA +PJ016575 VLLRW C34H55N9O6 685.4276 NA PeJP NA NA +PJ016576 VQKRR C28H55N13O7 685.4348 NA PeJP NA NA +PJ016577 ALLLKE C32H59N7O9 685.4375 NA PeJP NA NA +PJ016578 AKRRR C27H55N15O6 685.446 NA PeJP NA NA +PJ016579 ATLLLR C31H59N9O8 685.4487 NA PeJP NA NA +PJ016580 AALKKR C30H59N11O7 685.4599 NA PeJP NA NA +MJ090515 Pepstatins; Pepstatin A C34H63N5O9 685.462578 NA MeJP NA NA +C00773 Pepstatin C34H63N5O9 685.4626 NA KEGG NA NA +HMDB08830 PE(14:0/18:3(6Z,9Z,12Z)) C37H68NO8P 685.468262 NA HMDB2010 NA NA +HMDB08831 PE(14:0/18:3(9Z,12Z,15Z)) C37H68NO8P 685.468262 NA HMDB2010 NA NA +HMDB08862 PE(14:1(9Z)/18:2(9Z,12Z)) C37H68NO8P 685.468262 NA HMDB2010 NA NA +HMDB09086 PE(18:2(9Z,12Z)/14:1(9Z)) C37H68NO8P 685.468262 NA HMDB2010 NA NA +HMDB09118 PE(18:3(6Z,9Z,12Z)/14:0) C37H68NO8P 685.468262 NA HMDB2010 NA NA +HMDB09151 PE(18:3(9Z,12Z,15Z)/14:0) C37H68NO8P 685.468262 NA HMDB2010 NA NA +PJ016581 VKKRR C29H59N13O6 685.4712 NA PeJP NA NA +PJ016582 SLLLLK C33H63N7O8 685.4738 NA PeJP NA NA +PJ016583 GLLKKK C32H63N9O7 685.4851 NA PeJP NA NA +MJ090516 2-Amino-4,8-octadecadiene-1,3-diol, N-(2R-Hydroxytetradecanoyl), 1-O-?-D-glucopyranoside C38H71NO9 685.512882 NA MeJP NA NA +7028 synthetic peptide from alpha-gliadin QKQQQQPSSQVS 685.829 MH2+ Inhouse_peptide NA peptide +5448 caeridin 7,1 GLLDMVTGLLGNLG 685.8646 MH2+ Inhouse_peptide NA peptide +MJ090517 Iodipine C29H30F3IN2O6 686.110064 NA MeJP NA NA +PJ016584 CCCDDE C22H34N6O13S3 686.1346 NA PeJP NA NA +MJ090518 Gadopenamide C22H34GdN5O10 686.154667 NA MeJP NA NA +MJ090519 Elgonicadimer A C36H30O14 686.163555 NA MeJP NA NA +MJ090520 Podoverin C C36H30O14 686.163555 NA MeJP NA NA +PJ016585 CCCNNM C22H38N8O9S4 686.1645 NA PeJP NA NA +PJ016586 SCCDEM C23H38N6O12S3 686.171 NA PeJP NA NA +PJ016587 PCCCMM C24H42N6O7S5 686.1719 NA PeJP NA NA +PJ016588 GSSCCCQ C22H38N8O11S3 686.1822 NA PeJP NA NA +PJ016589 GGGSTCCC C22H38N8O11S3 686.1823 NA PeJP NA NA +MJ090521 2',5,5',6,7-Pentahydroxyflavanone, 6-Me ether, 2'-O-[2-O-(4-hydroxy-3,5-dimethoxycinnamoyl)-?-D-glucopyranoside] C33H34O16 686.184685 NA MeJP NA NA +MJ090522 Mayoside; 1-O-?-D-Glucopyranoside C33H34O16 686.184685 NA MeJP NA NA +PJ016590 GCDDDY C26H34N6O14S 686.1854 NA PeJP NA NA +PJ016591 PCCCDF C27H38N6O9S3 686.1863 NA PeJP NA NA +PJ016592 GCDMMM C24H42N6O9S4 686.1896 NA PeJP NA NA +MJ090523 Aloesin; 2',6'-Bis(4-hydroxy-E-cinnamoyl) C37H34O13 686.199941 NA MeJP NA NA +PJ016593 SSSSCCN C22H38N8O13S2 686.2 NA PeJP NA NA +PJ016594 CCCCQK C23H42N8O8S4 686.2009 NA PeJP NA NA +PJ016595 SPCCDY C27H38N6O11S2 686.204 NA PeJP NA NA +MJ090524 1,2,3,4,5,7-Hexahydroxyxanthone; 2,3,4,5,7-Penta-Me ether, 1-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C30H38O18 686.205814 NA MeJP NA NA +MJ090525 Catalpol; 6-O-[?-D-Glucopyranosyl-(1?4)-3,4-dihydroxy-E-cinnamoyl] C30H38O18 686.205814 NA MeJP NA NA +MJ090526 Sucrose; 6'-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 1',2,4,6-tetra-Ac C30H38O18 686.205814 NA MeJP NA NA +PJ016596 SSCEMM C24H42N6O11S3 686.2074 NA PeJP NA NA +PJ016597 GCCMHH C25H38N10O7S3 686.2087 NA PeJP NA NA +PJ016598 GDDDEH C25H34N8O15 686.2144 NA PeJP NA NA +PJ016599 GCCNQY C26H38N8O10S2 686.2153 NA PeJP NA NA +PJ016600 GSSCCCK C23H42N8O10S3 686.2186 NA PeJP NA NA +PJ016601 CCEFW C31H38N6O8S2 686.2193 NA PeJP NA NA +MJ090527 Aloesin; 2'-O-Cinnamoyl, 7-O-?-D-glucopyranoside C34H38O15 686.22107 NA MeJP NA NA +PJ016602 GSDDMY C27H38N6O13S 686.2218 NA PeJP NA NA +PJ016603 APCCMY C28H42N6O8S3 686.2226 NA PeJP NA NA +PJ016604 PVCCCY C28H42N6O8S3 686.2227 NA PeJP NA NA +PJ016605 GSMMMM C25H46N6O8S4 686.226 NA PeJP NA NA +PJ016606 STCCHH C25H38N10O9S2 686.2265 NA PeJP NA NA +MJ090528 1,10-Bis(2-hydroxyethylthio)decane; Bis[2-(4-chlorophenoxy)-2-methylpropanoyl] C34H48Cl2O6S2 686.226936 NA MeJP NA NA +MJ090529 Monomelittoside; 5-O-?-Sophoroside C27H42O20 686.226943 NA MeJP NA NA +PJ016607 DDDHW C29H34N8O12 686.2297 NA PeJP NA NA +PJ016608 SSCNNY C26H38N8O12S 686.233 NA PeJP NA NA +PJ016609 PPCCMH C27H42N8O7S3 686.2339 NA PeJP NA NA +MJ090530 6-Chloro-2,8,9,11,12,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 3?,4?-Epoxide, 12-butanoyl, 2,9,11,14-tetra-Ac C32H43ClO14 686.234133 NA MeJP NA NA +MJ090531 Julichrome Q6.6 C38H38O12 686.236326 NA MeJP NA NA +PJ016610 SCEYW C31H38N6O10S 686.237 NA PeJP NA NA +PJ016611 CCCCKK C24H46N8O7S4 686.2373 NA PeJP NA NA +PJ016612 SSSDEY C27H38N6O15 686.2395 NA PeJP NA NA +PJ016613 PPDDDE C27H38N6O15 686.2396 NA PeJP NA NA +PJ016614 NEMMY C28H42N6O10S2 686.2404 NA PeJP NA NA +MJ090532 Excelsioside; O-?-D-Glucopyranoside C31H42O17 686.242199 NA MeJP NA NA +MJ090533 Isonuezhenide C31H42O17 686.242199 NA MeJP NA NA +MJ090534 Nuezhenide C31H42O17 686.242199 NA MeJP NA NA +MJ090535 Oleuropein; 3''-Deoxy, 6'-O-?-D-glucopyranosyl C31H42O17 686.242199 NA MeJP NA NA +MJ090536 Specnuezhenide C31H42O17 686.242199 NA MeJP NA NA +PJ016615 SSTMMM C25H46N6O10S3 686.2438 NA PeJP NA NA +PJ016616 GNNDMH C25H38N10O11S 686.2443 NA PeJP NA NA +PJ016617 GSEEEH C26H38N8O14 686.2508 NA PeJP NA NA +FL2FBANC0004 Calyxin J C42H38O9 686.25158 332877-81-3 knapsack NA NA +FL2FBANC0010 Epicalyxin J C42H38O9 686.25158 332877-82-4 knapsack NA NA +MJ090537 Calyxin I C42H38O9 686.251582 NA MeJP NA NA +MJ090538 Calyxin J C42H38O9 686.251582 NA MeJP NA NA +PJ016618 CDMRY C27H42N8O9S2 686.2516 NA PeJP NA NA +PJ016619 GGGCCKY C27H42N8O9S2 686.2517 NA PeJP NA NA +PJ016620 NDEFY C31H38N6O12 686.2548 NA PeJP NA NA +PJ016621 GMMYW C32H42N6O7S2 686.2557 NA PeJP NA NA +MJ090539 12,17-Epoxy-2,5,7,9,10,11,19-heptahydroxy-4(20)-taxen-13-one, 19-Benzoyl, 2,7,9,10-tetra-Ac C35H42O14 686.257456 NA MeJP NA NA +MJ090540 Phragmalin; Tri-Ac C35H42O14 686.257456 NA MeJP NA NA +MJ090541 Taxanine M C35H42O14 686.257456 NA MeJP NA NA +PJ016622 GSTEMY C28H42N6O12S 686.2582 NA PeJP NA NA +PJ016623 QMMMF C29H46N6O7S3 686.259 NA PeJP NA NA +PJ016624 CNQHW C29H38N10O8S 686.2595 NA PeJP NA NA +PJ016625 SSNNEH C25H38N10O13 686.262 NA PeJP NA NA +PJ016626 SEEHW C30H38N8O11 686.266 NA PeJP NA NA +PJ016627 AAEEMH C27H42N8O11S 686.2694 NA PeJP NA NA +PJ016628 GDFYW C35H38N6O9 686.2701 NA PeJP NA NA +PJ016629 CMMFR C28H46N8O6S3 686.2703 NA PeJP NA NA +PJ016630 GPCHHH C28H38N12O7S 686.2708 NA PeJP NA NA +PJ016631 STMYW C32H42N6O9S 686.2734 NA PeJP NA NA +PJ016632 SSTTEY C28H42N6O14 686.2759 NA PeJP NA NA +PJ016633 DKMMY C29H46N6O9S2 686.2768 NA PeJP NA NA +PJ016634 GSSNHW C29H38N10O10 686.2773 NA PeJP NA NA +3825 NA GYYPTS 686.278 neuropeptide Inhouse_peptide NA peptide +MJ090542 19-Hydroxydeacetylnomilinic acid; 17-O-?-D-Glucopyranoside C32H46O16 686.278585 NA MeJP NA NA +MJ090543 Secoisolariciresinol, 9,9'-Di-O-?-D-glucopyranoside C32H46O16 686.278585 NA MeJP NA NA +MJ090544 Yadanzioside D; 15-De-Ac, 15-(3-methylbutanoyl) C32H46O16 686.278585 NA MeJP NA NA +PJ016635 DEMHR C26H42N10O10S 686.2806 NA PeJP NA NA +PJ016636 GGGGATMH C26H42N10O10S 686.2807 NA PeJP NA NA +MJ090545 Milliamine C; 3-O-Deacyl-5-O-acyl isomer, N1'-deacyl, 3,20-di-Ac C38H42N2O10 686.283945 NA MeJP NA NA +PJ016637 VDMHW C31H42N8O8S 686.2847 NA PeJP NA NA +PJ016638 ATTEEH C27H42N8O13 686.2872 NA PeJP NA NA +PJ016639 SMMRY C28H46N8O8S2 686.288 NA PeJP NA NA +PJ016640 QEHHH C28H38N12O9 686.2885 NA PeJP NA NA +PJ016641 GMFFW C36H42N6O6S 686.2887 NA PeJP NA NA +PJ016642 VNEYY C32H42N6O11 686.2912 NA PeJP NA NA +PJ016643 GSCQHR C25H42N12O9S 686.2919 NA PeJP NA NA +MJ090546 Mombasol C36H46O13 686.293841 NA MeJP NA NA +PJ016644 SSSLMY C29H46N6O11S 686.2945 NA PeJP NA NA +PJ016645 PPVDEM C29H46N6O11S 686.2946 NA PeJP NA NA +PJ016646 KMMMF C30H50N6O6S3 686.2954 NA PeJP NA NA +PJ016647 CNKHW C30H42N10O7S 686.2959 NA PeJP NA NA +MJ090547 Cryptophycin 5 C36H47ClN2O9 686.297008 NA MeJP NA NA +PJ016648 GPNDER C26H42N10O12 686.2984 NA PeJP NA NA +PJ016649 PQQEW C31H42N8O10 686.3024 NA PeJP NA NA +PJ016650 AHHHW C32H38N12O6 686.3038 NA PeJP NA NA +MJ090548 Rhodomycin A; 3A-N-De-Me C35H46N2O12 686.305074 NA MeJP NA NA +MJ090549 Rhodomycin A; 3B-N-De-Me C35H46N2O12 686.305074 NA MeJP NA NA +PJ016651 GTLEMH C28H46N8O10S 686.3058 NA PeJP NA NA +PJ016652 GVYYW C36H42N6O8 686.3064 NA PeJP NA NA +MJ090550 11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 5-Cinnamoyl, 10-benzoyl, 7,9-di-Ac C40H46O10 686.309097 NA MeJP NA NA +MJ090551 12-Hydroxydaphnetoxin; 12?-form, 5,20-O-Isopropylidene, 12-(2Z,4Z,6Z-decatrienoyl) C40H46O10 686.309097 NA MeJP NA NA +MJ090552 4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 2-Benzoyl, 5-cinnamoyl, 9,10-di-Ac C40H46O10 686.309097 NA MeJP NA NA +PJ016653 SSSNHR C25H42N12O11 686.3096 NA PeJP NA NA +PJ016654 VQMFY C33H46N6O8S 686.3098 NA PeJP NA NA +MJ090553 Vatanidipine C41H42N4O6 686.310435 NA MeJP NA NA +PJ016655 TTTTTY C29H46N6O13 686.3123 NA PeJP NA NA +PJ016656 PNDRW C30H42N10O9 686.3136 NA PeJP NA NA +PJ016657 GGPDRW C30H42N10O9 686.3137 NA PeJP NA NA +PJ016658 SPPCQR C27H46N10O9S 686.317 NA PeJP NA NA +PJ016659 APQWW C35H42N8O7 686.3177 NA PeJP NA NA +MJ090554 Naphthostatin; Naphthostatin D C39H46N2O9 686.320331 NA MeJP NA NA +PJ016660 TLMHW C32H46N8O7S 686.321 NA PeJP NA NA +PJ016661 GPPCKW C32H46N8O7S 686.3211 NA PeJP NA NA +PJ016662 STTLEH C28H46N8O12 686.3235 NA PeJP NA NA +PJ016663 GPQKEE C28H46N8O12 686.3236 NA PeJP NA NA +PJ016664 GVLMMH C29H50N8O7S2 686.3244 NA PeJP NA NA +PJ016665 NNHFR C29H42N12O8 686.3249 NA PeJP NA NA +3575 NA QPQAFP 686.325 ACE inhibitor Inhouse_peptide NA peptide +PJ016666 VDKYY C33H46N6O10 686.3276 NA PeJP NA NA +PJ016667 GSCKHR C26H46N12O8S 686.3283 NA PeJP NA NA +MJ090555 Nimbolidin A; 7-Deacyl, 7-(2-methylpropanoyl) C37H50O12 686.330227 NA MeJP NA NA +MJ090556 Xyloccensin A; 2-Hydroxy C37H50O12 686.330227 NA MeJP NA NA +PJ016668 PPTLEM C30H50N6O10S 686.3309 NA PeJP NA NA +PJ016669 PMHFR C31H46N10O6S 686.3323 NA PeJP NA NA +MJ090557 22,23-Epoxyergost-9(11)-ene-3,6-diol, 3-O-?-D-Glucuronopyranoside, 6-sulfate C34H54O12S 686.333597 NA MeJP NA NA +PJ016670 GPTQER C27H46N10O11 686.3348 NA PeJP NA NA +PJ016671 LMMHR C28H50N10O6S2 686.3357 NA PeJP NA NA +PJ016672 THHHR C28H42N14O7 686.3361 NA PeJP NA NA +PJ016673 PQKEW C32H46N8O9 686.3388 NA PeJP NA NA +MJ090558 Puberaconitine C36H50N2O11 686.34146 NA MeJP NA NA +PJ016674 SSLLMH C29H50N8O9S 686.3422 NA PeJP NA NA +PJ016675 VQFFF C37H46N6O7 686.3428 NA PeJP NA NA +PJ016676 GSPDRR C26H46N12O10 686.346 NA PeJP NA NA +MJ090559 Comoramide B C34H50N6O7S 686.346168 NA MeJP NA NA +PJ016677 VKMFY C34H50N6O7S 686.3462 NA PeJP NA NA +MJ090560 Folicangine C42H46N4O5 686.34682 NA MeJP NA NA +MJ090561 Scandomelidine C42H46N4O5 686.34682 NA MeJP NA NA +PJ016678 SPLLEE C30H50N6O12 686.3487 NA PeJP NA NA +PJ016679 PPVLMM C31H54N6O7S2 686.3496 NA PeJP NA NA +PJ016680 PTQRW C31H46N10O8 686.35 NA PeJP NA NA +PJ016681 GGGPPFR C31H46N10O8 686.3501 NA PeJP NA NA +MJ090562 Neutramycin C34H54O14 686.351356 NA MeJP NA NA +PJ016682 GPVQMR C28H50N10O8S 686.3534 NA PeJP NA NA +PJ016683 APKWW C36H46N8O6 686.3541 NA PeJP NA NA +PJ016684 NNQRR C25H46N14O9 686.3572 NA PeJP NA NA +PJ016685 GGNQRR C25H46N14O9 686.3573 NA PeJP NA NA +PJ016686 GPKKEE C29H50N8O11 686.3599 NA PeJP NA NA +PJ016687 GGGAALLE C29H50N8O11 686.36 NA PeJP NA NA +PJ016688 TLKYY C34H50N6O9 686.3639 NA PeJP NA NA +PJ016689 PPVVEF C34H50N6O9 686.364 NA PeJP NA NA +PJ016690 PQMRR C27H50N12O7S 686.3646 NA PeJP NA NA +PJ016691 GAPMRR C27H50N12O7S 686.3647 NA PeJP NA NA +MJ090563 Antibiotic VM 44866; 23?-(2-Methylpropanoyloxy), 13?-hydroxy C38H54O11 686.366612 NA MeJP NA NA +PJ016692 PVVLEM C31H54N6O9S 686.3673 NA PeJP NA NA +PJ016693 GPTKER C28H50N10O10 686.3712 NA PeJP NA NA +PJ016694 PKKEW C33H50N8O8 686.3752 NA PeJP NA NA +PJ016695 PCRRR C26H50N14O6S 686.3759 NA PeJP NA NA +2903 neuropeptide from eyestalk of Macrobrachium rosenb ANRSPSLRLRFG 686.37795 MH2+ Inhouse_peptide NA peptide +PJ016696 SPPKKM C30H54N8O8S 686.3786 NA PeJP NA NA +PJ016697 VKFFF C38H50N6O6 686.3792 NA PeJP NA NA +PJ016698 VQERR C27H50N12O9 686.3824 NA PeJP NA NA +PJ016699 ALLLEE C31H54N6O11 686.3851 NA PeJP NA NA +PJ016700 PTKRW C32H50N10O7 686.3864 NA PeJP NA NA +2651 synthetic fr, of human beta-CN (168-173) ACE inhibitor VLPYPV 686.387 NA Inhouse_peptide NA peptide +MJ090564 3,11,14-Trihydroxybufa-20,22-dienolide, 3-Adipoylarginine ester C36H54N4O9 686.389079 NA MeJP NA NA +PJ016701 GPVKMR C29H54N10O7S 686.3898 NA PeJP NA NA +MJ090565 1,16-Eicosanediol, 1-O-Sulfate, 16-O-[6-O-deoxy-?-D-glucopyranosyl-(1?2)-6-deoxy-?-D-glucopyranoside] C32H62O13S 686.391112 NA MeJP NA NA +PJ016702 AERRR C26H50N14O8 686.3936 NA PeJP NA NA +PJ016703 GGGGKRR C26H50N14O8 686.3937 NA PeJP NA NA +PJ016704 SPVKKE C30H54N8O10 686.3963 NA PeJP NA NA +PJ016705 GLRRW C31H50N12O6 686.3977 NA PeJP NA NA +PJ016706 PPVVLY C35H54N6O8 686.4003 NA PeJP NA NA +PJ016707 PKMRR C28H54N12O6S 686.401 NA PeJP NA NA +MJ090566 22,23-Dihydroxymilbemycin ?1; O5-Me, 23-O-(2,4-dimethylpentanoyl) C39H58O10 686.402998 NA MeJP NA NA +MJ090567 22,23-Dihydroxymilbemycin ?1; O5-Me, 23-O-(2-methylhexanoyl) C39H58O10 686.402998 NA MeJP NA NA +MJ090568 22,23-Dihydroxymilbemycin ?3; 23-O-(2,4-Dimethylpentanoyl) C39H58O10 686.402998 NA MeJP NA NA +MJ090569 22,23-Dihydroxymilbemycin ?3; 23-O-(2-Methylhexanoyl) C39H58O10 686.402998 NA MeJP NA NA +PJ016708 PTLLLM C32H58N6O8S 686.4037 NA PeJP NA NA +PJ016709 ASLLQR C29H54N10O9 686.4075 NA PeJP NA NA +PJ016710 AALKER C29H54N10O9 686.4076 NA PeJP NA NA +PJ016711 LLQKW C34H54N8O7 686.4116 NA PeJP NA NA +PJ016712 APLKKM C31H58N8O7S 686.415 NA PeJP NA NA +PJ016713 VKERR C28H54N12O8 686.4188 NA PeJP NA NA +PJ016714 SLLLLE C32H58N6O10 686.4215 NA PeJP NA NA +PJ016715 VVKRW C33H54N10O6 686.4228 NA PeJP NA NA +PJ016716 SLRRR C27H54N14O7 686.43 NA PeJP NA NA +PJ016717 GLLKKE C31H58N8O9 686.4327 NA PeJP NA NA +PJ016718 PVVLLF C36H58N6O7 686.4367 NA PeJP NA NA +MJ090570 Sinuflexlin C40H62O9 686.439383 NA MeJP NA NA +PJ016719 VVLLLM C33H62N6O7S 686.4401 NA PeJP NA NA +PJ016720 GTLLKR C30H58N10O8 686.4439 NA PeJP NA NA +PJ016721 LLKKW C35H58N8O6 686.448 NA PeJP NA NA +PJ016722 QKKKR C29H58N12O7 686.4552 NA PeJP NA NA +MJ090571 Bistheonellic acid B C37H66O11 686.460512 NA MeJP NA NA +MJ090572 Inostamycin B C37H66O11 686.460512 NA MeJP NA NA +PJ016723 SVLLKK C32H62N8O8 686.4691 NA PeJP NA NA +PJ016724 GVKKKK C31H62N10O7 686.4803 NA PeJP NA NA +HMDB07585 DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C45H66O5 686.491028 NA HMDB2010 NA NA +HMDB07781 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C45H66O5 686.491028 NA HMDB2010 NA NA +PJ016725 KKKKR C30H62N12O6 686.4916 NA PeJP NA NA +MJ090573 Trisanhydrobacterioruberin C50H70O 686.542666 NA MeJP NA NA +MJ090574 Crasserides; 12-Methyltetradecanoylcrasseride C40H78O8 686.569669 NA MeJP NA NA +MJ090575 Crasserides; 13-Methyltetradecanoylcrasseride C40H78O8 686.569669 NA MeJP NA NA +MJ090576 Crasserides; 9-Methyltetradecanoylcrasseride C40H78O8 686.569669 NA MeJP NA NA +MJ090577 1,34-Tetratriacontanediol; O-(4-Hydroxy-3-methoxycinnamoyl)(E-) C44H78O5 686.584925 NA MeJP NA NA +MJ090578 12-Oleanen-3-ol, O-(9Z,12Z,15Z-Octadecatrienoyl) C48H78O2 686.600181 NA MeJP NA NA +MJ090579 12-Ursen-3-ol, 9,12,15-Octadecatrienoyl(Z,Z,Z-) C48H78O2 686.600181 NA MeJP NA NA +5526 hepcidin 20 (LEAP-1) ICIFCCGCCHRSKCGMCCKT 686.8722 MH2+ Inhouse_peptide NA peptide +MetaCyc04055 UDP-N-acetyl-D-galactosamine 4-sulfate [] C17H27N3O20P2S1 687.038384 NA metacyc NA NA +HMDB00934 Uridine diphosphate acetylgalactosamine 4-sulfate C17H27N3O20P2S 687.03839 http://www.hmdb.ca/metabolites/HMDB00934 HMDB NA NA +HMDB00934 Uridine diphosphate acetylgalactosamine 4-sulfate C17H27N3O20P2S 687.03839 HMDB00934 PFEM_hmdb_metabocards_official NA NA +HMDB00934 Uridine diphosphate acetylgalactosamine 4-sulfate C17H27N3O20P2S 687.038391 NA HMDB2010 NA NA +C04426 UDP-N-acetyl-D-galactosamine 4-sulfate C17H27N3O20P2S 687.0384 NA KEGG NA NA +PJ016726 GPCCCCC C22H37N7O8S5 687.1307 NA PeJP NA NA +PJ016727 CCCNDM C22H37N7O10S4 687.1485 NA PeJP NA NA +HMDB01373 Dephospho-CoA C21H35N7O13P2S 687.14886 http://www.hmdb.ca/metabolites/HMDB01373 HMDB NA NA +HMDB01373 Dephospho-CoA C21H35N7O13P2S 687.14886 HMDB01373 PFEM_hmdb_metabocards_official NA NA +HMDB01373 Dephospho-CoA C21H35N7O13P2S 687.148865 NA HMDB2010 NA NA +MJ090580 Dephospho-CoA C21H35N7O13P2S 687.148878 NA MeJP NA NA +MetaCyc04056 dephospho-CoA [dephosphocoenzyme A;] C21H35N7O13P2S1 687.148878 3633-59-8 metacyc NA NA +C00882 Dephospho-CoA C21H35N7O13P2S 687.1489 NA KEGG NA NA +PJ016728 ACCCCW C26H37N7O7S4 687.1638 NA PeJP NA NA +PJ016729 GSSCCCE C22H37N7O12S3 687.1663 NA PeJP NA NA +PJ016730 SSCCCW C26H37N7O9S3 687.1815 NA PeJP NA NA +PJ016731 SSSSCCD C22H37N7O14S2 687.184 NA PeJP NA NA +PJ016732 SCCNMM C23H41N7O9S4 687.1849 NA PeJP NA NA +PJ016733 TCCCCR C22H41N9O8S4 687.1961 NA PeJP NA NA +PJ016734 GCCNEY C26H37N7O11S2 687.1993 NA PeJP NA NA +PJ016735 GSSTCCM C23H41N7O11S3 687.2026 NA PeJP NA NA +PJ016736 PCCNDH C25H37N9O10S2 687.2105 NA PeJP NA NA +PJ016737 CCNYW C30H37N7O8S2 687.2145 NA PeJP NA NA +PJ016738 SSCNDY C26H37N7O13S 687.217 NA PeJP NA NA +PJ016739 GCCQMF C27H41N7O8S3 687.2179 NA PeJP NA NA +PJ016740 SSSSSCM C23H41N7O13S2 687.2204 NA PeJP NA NA +PJ016741 TCCCKM C24H45N7O8S4 687.2213 NA PeJP NA NA +PJ016742 DEMMY C28H41N5O11S2 687.2244 NA PeJP NA NA +PJ016743 GNDDMH C25H37N9O12S 687.2283 NA PeJP NA NA +PJ016744 GCCCFR C26H41N9O7S3 687.2291 NA PeJP NA NA +PJ016745 GSCQMY C27H41N7O10S2 687.2357 NA PeJP NA NA +PJ016746 DDEFY C31H37N5O13 687.2388 NA PeJP NA NA +PJ016747 SCNNNH C24H37N11O11S 687.2395 NA PeJP NA NA +PJ016748 EMMMF C29H45N5O8S3 687.243 NA PeJP NA NA +PJ016749 CNEHW C29H37N9O9S 687.2435 NA PeJP NA NA +PJ016750 SSNDEH C25H37N9O14 687.246 NA PeJP NA NA +PJ016751 GGGGGGPDD C25H37N9O14 687.2461 NA PeJP NA NA +PJ016752 GSCCRY C26H41N9O9S2 687.2469 NA PeJP NA NA +PJ016753 NNDYY C30H37N7O12 687.25 NA PeJP NA NA +PJ016754 GGGGDYY C30H37N7O12 687.2501 NA PeJP NA NA +MJ090581 Baumycin B1 C34H41NO14 687.252705 NA MeJP NA NA +PJ016755 SSSNMY C27H41N7O12S 687.2534 NA PeJP NA NA +PJ016756 GCCKMF C28H45N7O7S3 687.2543 NA PeJP NA NA +PJ016757 PDMYY C32H41N5O10S 687.2574 NA PeJP NA NA +PJ016758 GCHWW C33H37N9O6S 687.2588 NA PeJP NA NA +MetaCyc04057 tetrahydropteroyltri-L-glutamate [] C29H37N9O11 687.261253 NA metacyc NA NA +PJ016759 GSSDHW C29H37N9O11 687.2613 NA PeJP NA NA +MJ090582 Cephabacin F; Cephabacin F4, 28-Deoxy C26H41N9O11S 687.264623 NA MeJP NA NA +PJ016760 GSQEMH C26H41N9O11S 687.2647 NA PeJP NA NA +PJ016761 GPPCEW C31H41N7O9S 687.2687 NA PeJP NA NA +PJ016762 GSSSSTY C27H41N7O14 687.2712 NA PeJP NA NA +PJ016763 GSCKMY C28H45N7O9S2 687.272 NA PeJP NA NA +PJ016764 GSPPPCM C28H45N7O9S2 687.2721 NA PeJP NA NA +PJ016765 EEHHH C28H37N11O10 687.2725 NA PeJP NA NA +PJ016766 VDEYY C32H41N5O12 687.2752 NA PeJP NA NA +PJ016767 GSCEHR C25H41N11O10S 687.2759 NA PeJP NA NA +PJ016768 PMMFY C33H45N5O7S2 687.2761 NA PeJP NA NA +PJ016769 LMMMY C30H49N5O7S3 687.2794 NA PeJP NA NA +PJ016770 SQMHW C30H41N9O8S 687.2799 NA PeJP NA NA +PJ016771 GPDDER C26H41N9O13 687.2824 NA PeJP NA NA +PJ016772 AAQMMH C27H45N9O8S2 687.2833 NA PeJP NA NA +PJ016773 GSNHHH C27H37N13O9 687.2838 NA PeJP NA NA +PJ016774 PPCWW C35H41N7O6S 687.2839 NA PeJP NA NA +PJ016775 PQEEW C31H41N7O11 687.2864 NA PeJP NA NA +PJ016776 SSTCKY C28H45N7O11S 687.2898 NA PeJP NA NA +PJ016777 PDFFY C36H41N5O9 687.2905 NA PeJP NA NA +PJ016778 SCHRW C29H41N11O7S 687.2911 NA PeJP NA NA +PJ016779 SSSDHR C25H41N11O12 687.2936 NA PeJP NA NA +PJ016780 GGGGGQQQ C25H41N11O12 687.2937 NA PeJP NA NA +PJ016781 VEMFY C33H45N5O9S 687.2938 NA PeJP NA NA +PJ016782 NMMHR C26H45N11O7S2 687.2945 NA PeJP NA NA +PJ016783 PDDRW C30H41N9O10 687.2977 NA PeJP NA NA +PJ016784 SPPCER C27H45N9O10S 687.301 NA PeJP NA NA +PJ016785 GGGAAPQM C27H45N9O10S 687.3011 NA PeJP NA NA +PJ016786 APEWW C35H41N7O8 687.3017 NA PeJP NA NA +MJ090583 Naphthomycin B; (4Z,6E)-Isomer, 30-dechloro, 30-hydroxy C39H45NO10 687.304346 NA MeJP NA NA +MJ090584 Naphthomycin B; 30-Dechloro, 30-hydroxy C39H45NO10 687.304346 NA MeJP NA NA +PJ016787 GNNNNR C24H41N13O11 687.3049 NA PeJP NA NA +PJ016788 CQKFY C32H45N7O8S 687.305 NA PeJP NA NA +PJ016789 GPPTMW C32H45N7O8S 687.3051 NA PeJP NA NA +PJ016790 GPKEEE C28H45N7O13 687.3076 NA PeJP NA NA +PJ016791 PPVNMM C29H49N7O8S2 687.3084 NA PeJP NA NA +PJ016792 NDHFR C29H41N11O9 687.3089 NA PeJP NA NA +PJ016793 PMFFF C37H45N5O6S 687.3091 NA PeJP NA NA +PJ016794 TLEYY C33H45N5O11 687.3116 NA PeJP NA NA +PJ016795 GSTMHR C26H45N11O9S 687.3123 NA PeJP NA NA +PJ016796 LMMFF C34H49N5O6S2 687.3125 NA PeJP NA NA +PJ016797 AQHFW C34H41N9O7 687.3129 NA PeJP NA NA +PJ016798 SKMHW C31H45N9O7S 687.3163 NA PeJP NA NA +PJ016799 GPTEER C27H45N9O12 687.3188 NA PeJP NA NA +PJ016800 GPPMMR C28H49N9O7S2 687.3197 NA PeJP NA NA +PJ016801 PKEEW C32H45N7O10 687.3228 NA PeJP NA NA +MJ090585 Aconitine; O3-Ac C36H49NO12 687.325476 NA MeJP NA NA +PJ016802 SPPKEM C29H49N7O10S 687.3262 NA PeJP NA NA +PJ016803 PVFYY C37H45N5O8 687.3268 NA PeJP NA NA +PJ016804 SSTTHR C26H45N11O11 687.33 NA PeJP NA NA +PJ016805 GGGGGVER C26H45N11O11 687.3301 NA PeJP NA NA +PJ016806 VLMYY C34H49N5O8S 687.3302 NA PeJP NA NA +PJ016807 PTERW C31H45N9O9 687.334 NA PeJP NA NA +PJ016808 GSPNKW C31H45N9O9 687.3341 NA PeJP NA NA +PJ016809 GPVEMR C28H49N9O9S 687.3374 NA PeJP NA NA +PJ016810 SPLWW C36H45N7O7 687.3381 NA PeJP NA NA +MJ090586 Naphthomycin A; 30-Dechloro, 11-alcohol C40H49NO9 687.340732 NA MeJP NA NA +PJ016811 NNERR C25H45N13O10 687.3413 NA PeJP NA NA +PJ016812 APVCLW C33H49N7O7S 687.3414 NA PeJP NA NA +PJ016813 AAPLMW C33H49N7O7S 687.3415 NA PeJP NA NA +PJ016814 SPVKEE C29H49N7O12 687.3439 NA PeJP NA NA +PJ016815 GLLQEE C29H49N7O12 687.344 NA PeJP NA NA +PJ016816 PPCLKM C30H53N7O7S2 687.3448 NA PeJP NA NA +PJ016817 AQQRW C30H45N11O8 687.3453 NA PeJP NA NA +PJ016818 PEMRR C27H49N11O8S 687.3487 NA PeJP NA NA +PJ016819 AKHFW C35H45N9O6 687.3493 NA PeJP NA NA +PJ016820 PVMRW C32H49N9O6S 687.3527 NA PeJP NA NA +PJ016821 AALEER C28H49N9O11 687.3552 NA PeJP NA NA +PJ016822 GNRRW C29H45N13O7 687.3565 NA PeJP NA NA +PJ016823 LLQEW C33H49N7O9 687.3592 NA PeJP NA NA +PJ016824 APLKEM C30H53N7O9S 687.3626 NA PeJP NA NA +PJ016825 VLFFY C38H49N5O7 687.3632 NA PeJP NA NA +PJ016826 VEERR C27H49N11O10 687.3664 NA PeJP NA NA +MJ090587 Cryptoechinulin B C43H49N3O5 687.367221 NA MeJP NA NA +PJ016827 VVERW C32H49N9O8 687.3704 NA PeJP NA NA +PJ016828 GAPPPLH C32H49N9O8 687.3705 NA PeJP NA NA +PJ016829 APTLMR C29H53N9O8S 687.3738 NA PeJP NA NA +PJ016830 ALLWW C37H49N7O6 687.3745 NA PeJP NA NA +PJ016831 NDKRR C26H49N13O9 687.3776 NA PeJP NA NA +PJ016832 GGDKRR C26H49N13O9 687.3777 NA PeJP NA NA +PJ016833 GLLKEE C30H53N7O11 687.3803 NA PeJP NA NA +PJ016834 AQKRW C31H49N11O7 687.3817 NA PeJP NA NA +PJ016835 GPCKKR C28H53N11O7S 687.3851 NA PeJP NA NA +PJ016836 SNRRR C25H49N15O8 687.3889 NA PeJP NA NA +PJ016837 GTLLER C29H53N9O10 687.3916 NA PeJP NA NA +MJ090588 Mahafacyclin A C34H53N7O8 687.395561 NA MeJP NA NA +PJ016838 LLKEW C34H53N7O8 687.3956 NA PeJP NA NA +MJ090589 Lycorine, O1-(6-O-Hexadecanoyl-?-D-glucopyranoside) C38H57NO10 687.398247 NA MeJP NA NA +PJ016839 SPLLKM C31H57N7O8S 687.399 NA PeJP NA NA +PJ016840 QKKER C28H53N11O9 687.4028 NA PeJP NA NA +PJ016841 TLLRW C33H53N9O7 687.4068 NA PeJP NA NA +PJ016842 GVLLMR C30H57N9O7S 687.4102 NA PeJP NA NA +PJ016843 TQKRR C27H53N13O8 687.414 NA PeJP NA NA +PJ016844 SVLLKE C31H57N7O10 687.4167 NA PeJP NA NA +PJ016845 AKKRW C32H53N11O6 687.4181 NA PeJP NA NA +MJ090590 Oleandomycin C35H61NO12 687.419376 NA MeJP NA NA +MetaCyc04058 oleandomycin [amimycin;landomycin;matromycin;romicil;] C35H61N1O12 687.419376 3922-90-5 metacyc NA NA +C01946 Oleandomycin C35H61NO12 687.4194 NA KEGG NA NA +PJ016846 LLMRR C29H57N11O6S 687.4214 NA PeJP NA NA +PJ016847 SPTKKK C30H57N9O9 687.4279 NA PeJP NA NA +PJ016848 SSLLLR C30H57N9O9 687.428 NA PeJP NA NA +PJ016849 APLLKF C35H57N7O7 687.432 NA PeJP NA NA +PJ016850 ALLLKM C32H61N7O7S 687.4354 NA PeJP NA NA +PJ016851 KKKER C29H57N11O8 687.4392 NA PeJP NA NA +PJ016852 VKKKW C34H57N9O6 687.4432 NA PeJP NA NA +PJ016853 TKKRR C28H57N13O7 687.4504 NA PeJP NA NA +PJ016854 TTLLLK C32H61N7O9 687.4531 NA PeJP NA NA +MJ090591 15-Norerythromycin A; 6,12-Dideoxy C36H65NO11 687.455761 NA MeJP NA NA +MJ090592 Antibiotic SF 2748; Antibiotic SF 2748D C36H65NO11 687.455761 NA MeJP NA NA +MJ090593 Erythromycin D; 6-Deoxy C36H65NO11 687.455761 NA MeJP NA NA +PJ016855 ATLKKK C31H61N9O8 687.4643 NA PeJP NA NA +HMDB08829 PE(14:0/18:2(9Z,12Z)) C37H70NO8P 687.483887 NA HMDB2010 NA NA +HMDB08860 PE(14:1(9Z)/18:1(11Z)) C37H70NO8P 687.483887 NA HMDB2010 NA NA +HMDB08861 PE(14:1(9Z)/18:1(9Z)) C37H70NO8P 687.483887 NA HMDB2010 NA NA +HMDB08957 PE(16:1(9Z)/16:1(9Z)) C37H70NO8P 687.483887 NA HMDB2010 NA NA +HMDB09020 PE(18:1(11Z)/14:1(9Z)) C37H70NO8P 687.483887 NA HMDB2010 NA NA +HMDB09053 PE(18:1(9Z)/14:1(9Z)) C37H70NO8P 687.483887 NA HMDB2010 NA NA +HMDB09085 PE(18:2(9Z,12Z)/14:0) C37H70NO8P 687.483887 NA HMDB2010 NA NA +HMDB05342 GPEtn(16:1(9Z)/16:1(9Z))[U] C37H70NO8P 687.48389 http://www.hmdb.ca/metabolites/HMDB05342 HMDB NA NA +HMDB05342 GPEtn(16:1(9Z)/16:1(9Z))[U] C37H70NO8P 687.48389 HMDB05342 PFEM_hmdb_metabocards_official NA NA +HMDB07928 PC(14:1(9Z)/P-16:0) C38H74NO7P 687.520264 NA HMDB2010 NA NA +HMDB08918 PE(15:0/P-18:1(11Z)) C38H74NO7P 687.520264 NA HMDB2010 NA NA +HMDB08919 PE(15:0/P-18:1(9Z)) C38H74NO7P 687.520264 NA HMDB2010 NA NA +HMDB11204 PC(P-16:0/14:1(9Z)) C38H74NO7P 687.520264 NA HMDB2010 NA NA +HMDB11403 PE(P-18:1(11Z)/15:0) C38H74NO7P 687.520264 NA HMDB2010 NA NA +HMDB11436 PE(P-18:1(9Z)/15:0) C38H74NO7P 687.520264 NA HMDB2010 NA NA +HMDB13410 PC(o-16:1(9Z)/14:1(9Z)) C38H74NO7P 687.520264 NA HMDB2010 NA NA +EUR1071 SM(d18:1/16:1) [M-H-CH3]- C39H78N2O6P 687.544101 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1071 SM(d18:1/16:1) [M-H-CH3]- C39H78N2O6P 687.544101 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1071 SM(d18:1/16:1) [M-H-CH3]- C39H78N2O6P 687.544101 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1071 SM(d18:1/16:1) [M-H-CH3]- C39H78N2O6P 687.544101 masses lipides attendues Inhousejuil11 NA NA +MJ090594 Emethallicin D C34H28N2O8S3 688.100777 NA MeJP NA NA +PJ016856 CCCDDM C22H36N6O11S4 688.1325 NA PeJP NA NA +EUR252 Thiamin monophosphate F6 F6 688.132775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR252 Thiamine monophosphate F6 NA 688.132775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR252 Thiamin monophosphate F6 F6 688.132775 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR252 Thiamine monophosphate F6 NA 688.132775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR252 Thiamin monophosphate F6 F6 688.132775 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR252 Thiamine monophosphate F6 NA 688.132775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR252 Thiamin monophosphate F6 F6 688.132775 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR252 Thiamin monophosphate F6 F6 688.132775 standards wishlist analysés sur QTOF HMDB NA NA +EUR252 Thiamin monophosphate F6 F6 688.132775 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR252 Thiamine monophosphate F6 NA 688.132775 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR252 Thiamin monophosphate F6 F6 688.132775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR252 Thiamin monophosphate F6 F6 688.132775 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ016857 GSCCCCN C21H36N8O10S4 688.1438 NA PeJP NA NA +PJ016858 SCCDMM C23H40N6O10S4 688.1689 NA PeJP NA NA +PJ016859 GCCDEY C26H36N6O12S2 688.1833 NA PeJP NA NA +PJ016860 ACCMMM C24H44N6O7S5 688.1875 NA PeJP NA NA +PJ016861 SCCCHH C24H36N10O8S3 688.188 NA PeJP NA NA +PJ016862 PCCDDH C25H36N8O11S2 688.1945 NA PeJP NA NA +PJ016863 CCDYW C30H36N6O9S2 688.1985 NA PeJP NA NA +MJ090595 Henryoside; 6-Benzoyl C33H36O16 688.200335 NA MeJP NA NA +PJ016864 SSCDDY C26H36N6O14S 688.201 NA PeJP NA NA +PJ016865 PTCCCY C27H40N6O9S3 688.2019 NA PeJP NA NA +PJ016866 SSCMMM C24H44N6O9S4 688.2053 NA PeJP NA NA +PJ016867 GDDDMH C25H36N8O13S 688.2123 NA PeJP NA NA +PJ016868 CCMFW C31H40N6O6S3 688.2172 NA PeJP NA NA +PJ016869 GSCEMY C27H40N6O11S2 688.2197 NA PeJP NA NA +MJ090596 Depressine C30H40O18 688.221464 NA MeJP NA NA +PJ016870 SCNNDH C24H36N10O12S 688.2235 NA PeJP NA NA +PJ016871 CDEHW C29H36N8O10S 688.2275 NA PeJP NA NA +PJ016872 SSDDEH C25H36N8O15 688.23 NA PeJP NA NA +PJ016873 GGPNDDD C25H36N8O15 688.2301 NA PeJP NA NA +MJ090597 Hatomarubigin D C41H36O10 688.230847 NA MeJP NA NA +PJ016874 SPCDMH C26H40N8O10S2 688.2309 NA PeJP NA NA +MJ090598 Cryptophycin 4; 6',8'-Dichloro, 7R*,8R*-epoxide C35H42Cl2N2O8 688.231821 NA MeJP NA NA +PJ016875 NDDYY C30H36N6O13 688.2341 NA PeJP NA NA +PJ016876 SCMYW C31H40N6O8S2 688.2349 NA PeJP NA NA +MJ090599 Azadirachtin K C34H40O15 688.23672 NA MeJP NA NA +PJ016877 SSSDMY C27H40N6O13S 688.2374 NA PeJP NA NA +PJ016878 NMMMY C28H44N6O8S3 688.2383 NA PeJP NA NA +PJ016879 GCNQMH C25H40N10O9S2 688.2421 NA PeJP NA NA +PJ016880 GGGCQMH C25H40N10O9S2 688.2422 NA PeJP NA NA +PJ016881 GSEEMH C26H40N8O12S 688.2487 NA PeJP NA NA +PJ016882 APCMMH C27H44N8O7S3 688.2495 NA PeJP NA NA +PJ016883 GSPCYY C31H40N6O10S 688.2527 NA PeJP NA NA +PJ016884 GCCNHR C24H40N12O8S2 688.2534 NA PeJP NA NA +PJ016885 GPEEEE C27H40N6O15 688.2552 NA PeJP NA NA +PJ016886 GSTMMY C28H44N6O10S2 688.2561 NA PeJP NA NA +PJ016887 SSNNMH C25H40N10O11S 688.2599 NA PeJP NA NA +MJ090600 25-Methylergostane-2,3,6-triol, Tri-O-sulfate C29H52O12S3 688.262089 NA MeJP NA NA +C17159 Halistanol sulfate C29H52O12S3 688.2621 NA KEGG NA NA +PJ016888 SEMHW C30H40N8O9S 688.2639 NA PeJP NA NA +MJ090601 Aeruginosin 98A C29H45ClN6O9S 688.265725 NA MeJP NA NA +PJ016889 SSTEEH C26H40N8O14 688.2664 NA PeJP NA NA +PJ016890 AAEMMH C27H44N8O9S2 688.2673 NA PeJP NA NA +PJ016891 GSDHHH C27H36N12O10 688.2678 NA PeJP NA NA +PJ016892 ACFYW C35H40N6O7S 688.2679 NA PeJP NA NA +PJ016893 SQEYY C31H40N6O12 688.2704 NA PeJP NA NA +PJ016894 PEEEW C31H40N6O12 688.2705 NA PeJP NA NA +PJ016895 NMMFF C32H44N6O7S2 688.2713 NA PeJP NA NA +MJ090602 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 1-angeloyl, 2,6,8,14-tetra-Ac C35H44O14 688.273106 NA MeJP NA NA +MJ090603 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 8-angeloyl, 1,2,6,14-tetra-Ac C35H44O14 688.273106 NA MeJP NA NA +MJ090604 11,14-Epoxy-3,5,7,8,9,14,15-heptahydroxy-6(17)-jatrophen-12-one, 8-Benzoyl, 5,7,9,15-tetra-Ac C35H44O14 688.273106 NA MeJP NA NA +MJ090605 Trichilia substance Tr B C35H44O14 688.273106 NA MeJP NA NA +PJ016896 SSTTMY C28H44N6O12S 688.2738 NA PeJP NA NA +PJ016897 GSSSSQH C25H40N10O13 688.2777 NA PeJP NA NA +PJ016898 DMMHR C26H44N10O8S2 688.2785 NA PeJP NA NA +PJ016899 PCHFW C34H40N8O6S 688.2792 NA PeJP NA NA +MJ090606 Dacuronium(2+); Dibromide C33H58Br2N2O3 688.281419 NA MeJP NA NA +PJ016900 GSPNEW C30H40N8O11 688.2817 NA PeJP NA NA +PJ016901 CLMHW C31H44N8O6S2 688.2825 NA PeJP NA NA +PJ016902 ASSPPCQ C27H44N8O11S 688.285 NA PeJP NA NA +PJ016903 ATTEMH C27H44N8O11S 688.2851 NA PeJP NA NA +PJ016904 GTYYW C35H40N6O9 688.2857 NA PeJP NA NA +PJ016905 QMHHH C28H40N12O7S 688.2864 NA PeJP NA NA +PJ016906 GNNNDR C24H40N12O12 688.2889 NA PeJP NA NA +PJ016907 VNMYY C32H44N6O9S 688.2891 NA PeJP NA NA +PJ016908 SPVEEE C28H44N6O14 688.2916 NA PeJP NA NA +PJ016909 PPVDMM C29H48N6O9S2 688.2925 NA PeJP NA NA +PJ016910 NNQQW C29H40N10O10 688.2929 NA PeJP NA NA +PJ016911 GPNDMR C26H44N10O10S 688.2963 NA PeJP NA NA +PJ016912 SPNWW C34H40N8O8 688.2969 NA PeJP NA NA +PJ016913 CHHHR C27H40N14O6S 688.2976 NA PeJP NA NA +MJ090607 Aglaxiflorin C C38H44N2O10 688.299595 NA MeJP NA NA +MJ090608 Aglaxiflorin D; 10,12-Diepimer, 12-Ac C38H44N2O10 688.299595 NA MeJP NA NA +MJ090609 Aglaxiflorin D; 12-Epimer, 12-Ac C38H44N2O10 688.299595 NA MeJP NA NA +PJ016914 PQQMW C31H44N8O8S 688.3003 NA PeJP NA NA +PJ016915 TTTTEH C27H44N8O13 688.3028 NA PeJP NA NA +PJ016916 GTLMMH C28H48N8O8S2 688.3037 NA PeJP NA NA +PJ016917 ASTHHH C28H40N12O9 688.3041 NA PeJP NA NA +PJ016918 GTTHHH C28H40N12O9 688.3042 NA PeJP NA NA +PJ016919 SKEYY C32H44N6O11 688.3068 NA PeJP NA NA +MJ090610 Rohituka 6 C36H48O13 688.309491 NA MeJP NA NA +PJ016920 APLEEM C29H48N6O11S 688.3102 NA PeJP NA NA +PJ016921 PCQRW C30H44N10O7S 688.3115 NA PeJP NA NA +PJ016922 GAPCRW C30H44N10O7S 688.3116 NA PeJP NA NA +MJ090611 3,6,20-Trihydroxycholest-9(11)-en-23-one, 3-O-?-D-Glucuronopyranoside, 6-sulfate C33H52O13S 688.312862 NA MeJP NA NA +PJ016923 QQEER C26H44N10O12 688.314 NA PeJP NA NA +PJ016924 GAQEER C26H44N10O12 688.3141 NA PeJP NA NA +PJ016925 ACCKKH C27H48N10O7S2 688.3149 NA PeJP NA NA +PJ016926 VQQEW C31H44N8O10 688.3181 NA PeJP NA NA +PJ016927 STTLMH C28H48N8O10S 688.3214 NA PeJP NA NA +PJ016928 GGGGPTLM C28H48N8O10S 688.3215 NA PeJP NA NA +PJ016929 VNFFY C36H44N6O8 688.3221 NA PeJP NA NA +PJ016930 KMHHH C29H44N12O6S 688.3228 NA PeJP NA NA +PJ016931 NDERR C25H44N12O11 688.3253 NA PeJP NA NA +PJ016932 CLKYY C33H48N6O8S 688.3254 NA PeJP NA NA +PJ016933 PPPCLY C33H48N6O8S 688.3255 NA PeJP NA NA +PJ016934 GLLEEE C29H48N6O13 688.328 NA PeJP NA NA +PJ016935 PPTLMM C30H52N6O8S2 688.3288 NA PeJP NA NA +PJ016936 AQERW C30H44N10O9 688.3293 NA PeJP NA NA +3470 analogue of human b-CN (54-59) AEPIPY 688.33 ACE inhibitor Inhouse_peptide NA peptide +PJ016937 GPTQMR C27H48N10O9S 688.3327 NA PeJP NA NA +PJ016938 GLQWW C35H44N8O7 688.3333 NA PeJP NA NA +MJ090612 Kidamycin C39H48N2O9 688.335981 NA MeJP NA NA +MJ090613 Rubiflavin F C39H48N2O9 688.335981 NA MeJP NA NA +PJ016939 PQKMW C32H48N8O7S 688.3367 NA PeJP NA NA +PJ016940 GVQKEE C28H48N8O12 688.3392 NA PeJP NA NA +PJ016941 GDRRW C29H44N12O8 688.3405 NA PeJP NA NA +PJ016942 LLEEW C33H48N6O10 688.3432 NA PeJP NA NA +PJ016943 GPTCRR C26H48N12O8S 688.3439 NA PeJP NA NA +PJ016944 AARWW C34H44N10O6 688.3446 NA PeJP NA NA +MJ090614 Xyloccensin A; 2-Hydroxy, 14-15-dihydro C37H52O12 688.345877 NA MeJP NA NA +PJ016945 SPLLEM C30H52N6O10S 688.3466 NA PeJP NA NA +PJ016946 PCKRW C31H48N10O6S 688.3479 NA PeJP NA NA +PJ016947 QKEER C27H48N10O11 688.3504 NA PeJP NA NA +PJ016948 GGGGADKK C27H48N10O11 688.3505 NA PeJP NA NA +PJ016949 LNKEW C32H48N8O9 688.3544 NA PeJP NA NA +PJ016950 VQKEW C32H48N8O9 688.3545 NA PeJP NA NA +PJ016951 GPKKEM C29H52N8O9S 688.3578 NA PeJP NA NA +PJ016952 TKFFF C37H48N6O7 688.3585 NA PeJP NA NA +PJ016953 TQERR C26H48N12O10 688.3617 NA PeJP NA NA +PJ016954 PPVVMF C34H52N6O7S 688.3619 NA PeJP NA NA +MJ090615 Callichiline C42H48N4O5 688.36247 NA MeJP NA NA +MJ090616 Conoduramine; Demethoxy, 3-oxo C42H48N4O5 688.36247 NA MeJP NA NA +MJ090617 Ervahaimine A C42H48N4O5 688.36247 NA MeJP NA NA +MJ090618 Foliacraline C42H48N4O5 688.36247 NA MeJP NA NA +MJ090619 Macrocarpamine; 10-Methoxy, 4'-N-oxide C42H48N4O5 688.36247 NA MeJP NA NA +MJ090620 Voafolidine C42H48N4O5 688.36247 NA MeJP NA NA +C09088 Callichiline C42H48N4O5 688.3625 NA KEGG NA NA +PJ016955 SVLLEE C30H52N6O12 688.3643 NA PeJP NA NA +PJ016956 VVTLEE C30H52N6O12 688.3644 NA PeJP NA NA +PJ016957 PVVLMM C31H56N6O7S2 688.3652 NA PeJP NA NA +PJ016958 AKERW C31H48N10O8 688.3657 NA PeJP NA NA +PJ016959 GPTKMR C28H52N10O8S 688.3691 NA PeJP NA NA +PJ016960 GLKWW C36H48N8O6 688.3697 NA PeJP NA NA +PJ016961 SDRRR C25H48N14O9 688.3729 NA PeJP NA NA +7568 ACE inhibitor KVREGT 688.373 antioxidative Inhouse_peptide NA peptide +PJ016962 PKKMW C33H52N8O6S 688.3731 NA PeJP NA NA +PJ016963 GVKKEE C29H52N8O11 688.3756 NA PeJP NA NA +PJ016964 ATRRW C30H48N12O7 688.3769 NA PeJP NA NA +PJ016965 SPPLLY C34H52N6O9 688.3796 NA PeJP NA NA +PJ016966 VQMRR C27H52N12O7S 688.3803 NA PeJP NA NA +MJ090621 2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione, 16-O-(2-O-Acetyl-3,6-dideoxy-?-L-erythro-hexopyranos-4-uloside) C38H56O11 688.382262 NA MeJP NA NA +PJ016967 ALLLEM C31H56N6O9S 688.383 NA PeJP NA NA +PJ016968 KKEER C28H52N10O10 688.3868 NA PeJP NA NA +PJ016969 VKKEW C33H52N8O8 688.3908 NA PeJP NA NA +PJ016970 GGAPLKF C33H52N8O8 688.3909 NA PeJP NA NA +PJ016971 AMRRR C26H52N14O6S 688.3915 NA PeJP NA NA +PJ016972 SPVKKM C30H56N8O8S 688.3942 NA PeJP NA NA +PJ016973 TKERR C27H52N12O9 688.398 NA PeJP NA NA +PJ016974 GSTLRR C27H52N12O9 688.3981 NA PeJP NA NA +PJ016975 TTLLLE C31H56N6O11 688.4007 NA PeJP NA NA +PJ016976 SLKRW C32H52N10O7 688.4021 NA PeJP NA NA +MJ090622 Kabicidin C35H60O13 688.403392 NA MeJP NA NA +MJ090623 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(Argininylpimeloyl) C36H56N4O9 688.404729 NA MeJP NA NA +PJ016977 AALKMR C29H56N10O7S 688.4055 NA PeJP NA NA +MJ090624 Incarvillateine; Monodemethoxy C41H56N2O7 688.408752 NA MeJP NA NA +PJ016978 TTRRR C26H52N14O8 688.4093 NA PeJP NA NA +PJ016979 ATLKKE C30H56N8O10 688.412 NA PeJP NA NA +2606 synthetic peptide inhibitors of (PEP) HLPLPL 688.414 NA Inhouse_peptide NA peptide +2667 synthetic fr, of human beta-CN (124-129) ACE inhibitor LHLPLP 688.414 NA Inhouse_peptide NA peptide +PJ016980 APLLLY C35H56N6O8 688.416 NA PeJP NA NA +PJ016981 VKMRR C28H56N12O6S 688.4167 NA PeJP NA NA +PJ016982 SLLLLM C32H60N6O8S 688.4194 NA PeJP NA NA +PJ016983 ATTLKR C29H56N10O9 688.4232 NA PeJP NA NA +PJ016984 GPLKKF C34H56N8O7 688.4272 NA PeJP NA NA +PJ016985 GLLKKM C31H60N8O7S 688.4306 NA PeJP NA NA +3886 temporin D LLPIVGNLLNSLL~ 688.4314 MH2+ Inhouse_peptide NA peptide +3888 temporin E VLPIIGNLLNSLL~ 688.4314 MH2+ Inhouse_peptide NA peptide +MJ090625 Bacchalejin 2 C43H60O7 688.433904 NA MeJP NA NA +PJ016986 VTTLKK C31H60N8O9 688.4483 NA PeJP NA NA +PJ016987 STLLKK C31H60N8O9 688.4484 NA PeJP NA NA +PJ016988 ALLLLF C36H60N6O7 688.4524 NA PeJP NA NA +MJ090626 12-Oleanene-3,16,21,22,28-pentol, 21-O-(2,3-Dihydroxy-2-methylbutanoyl), 22-angeloyl C40H64O9 688.455033 NA MeJP NA NA +MJ090627 Oleanolic acid 3-glycosides; Monoglycosides, 3-O-?-D-Glucuronopyranoside, 6'-butyl ester C40H64O9 688.455033 NA MeJP NA NA +PJ016989 GTKKKK C30H60N10O8 688.4596 NA PeJP NA NA +HMDB07527 DG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C45H68O5 688.506653 NA HMDB2010 NA NA +HMDB07556 DG(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C45H68O5 688.506653 NA HMDB2010 NA NA +HMDB07583 DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C45H68O5 688.506653 NA HMDB2010 NA NA +HMDB07584 DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C45H68O5 688.506653 NA HMDB2010 NA NA +HMDB07723 DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C45H68O5 688.506653 NA HMDB2010 NA NA +HMDB07752 DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C45H68O5 688.506653 NA HMDB2010 NA NA +HMDB07779 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C45H68O5 688.506653 NA HMDB2010 NA NA +HMDB07780 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C45H68O5 688.506653 NA HMDB2010 NA NA +HMDB13462 SM(d18:0/14:1(9Z)(OH)) C37H73N2O7P 688.515564 NA HMDB2010 NA NA +MJ090628 Decaprenoxanthin; Deoxy C50H72O 688.558316 NA MeJP NA NA +MJ090629 12-Oleanen-3-ol, O-(9Z,12Z-Octadecadienoyl) C48H80O2 688.615831 NA MeJP NA NA +MJ090630 12-Ursen-3-ol, 9,12-Octadecadienoyl(Z,Z-) C48H80O2 688.615831 NA MeJP NA NA +7002 synthetic peptide from alpha-gliadin PSQQQPQEQVPL 688.836 MH2+ Inhouse_peptide NA peptide +7004 synthetic peptide from alpha-gliadin VQQQQPLGQQQP 688.8415 MH2+ Inhouse_peptide NA peptide +7005 synthetic peptide from alpha-gliadin VQQQQPLGQQQP 688.8415 MH2+ Inhouse_peptide NA peptide +2822 PEP inhibitor PPPPGGPQPRPPQG 688.848 MH2+ Inhouse_peptide NA peptide +PJ016990 GSCCCCD C21H35N7O11S4 689.1278 NA PeJP NA NA +PJ016991 CCCCQM C22H39N7O8S5 689.1464 NA PeJP NA NA +PJ016992 CCCCCR C21H39N9O7S5 689.1576 NA PeJP NA NA +PJ016993 GTTCCCC C22H39N7O10S4 689.1641 NA PeJP NA NA +PJ016994 GSSCCCM C22H39N7O10S4 689.1642 NA PeJP NA NA +PJ016995 SSSTCCC C22H39N7O12S3 689.1819 NA PeJP NA NA +PJ016996 CCCCKM C23H43N7O7S5 689.1828 NA PeJP NA NA +PJ016997 GCCNMY C26H39N7O9S3 689.1972 NA PeJP NA NA +PJ016998 SCNDDH C24H35N9O13S 689.2075 NA PeJP NA NA +PJ016999 PCCCQH C25H39N9O8S3 689.2084 NA PeJP NA NA +PJ017000 PNDDDD C25H35N7O16 689.2141 NA PeJP NA NA +PJ017001 SSCCQY C26H39N7O11S2 689.2149 NA PeJP NA NA +PJ017002 DDDYY C30H35N5O14 689.2181 NA PeJP NA NA +PJ017003 DMMMY C28H43N5O9S3 689.2223 NA PeJP NA NA +PJ017004 GCNEMH C25H39N9O10S2 689.2262 NA PeJP NA NA +PJ017005 GCCNFF C30H39N7O8S2 689.2302 NA PeJP NA NA +PJ017006 GSSSSCY C26H39N7O13S 689.2327 NA PeJP NA NA +PJ017007 ACCCKY C27H43N7O8S3 689.2335 NA PeJP NA NA +PJ017008 SCCCKF C27H43N7O8S3 689.2336 NA PeJP NA NA +PJ017009 DDMFY C31H39N5O11S 689.2367 NA PeJP NA NA +PJ017010 GCCDHR C24H39N11O9S2 689.2374 NA PeJP NA NA +PJ017011 MMMMF C29H47N5O6S4 689.2409 NA PeJP NA NA +PJ017012 CNMHW C29H39N9O7S2 689.2414 NA PeJP NA NA +PJ017013 SSNDMH C25H39N9O12S 689.2439 NA PeJP NA NA +PJ017014 PCCCKH C26H43N9O7S3 689.2448 NA PeJP NA NA +PJ017015 CNQYY C30H39N7O10S 689.2479 NA PeJP NA NA +PJ017016 SPNDEE C26H39N7O15 689.2504 NA PeJP NA NA +PJ017017 GGSPDEE C26H39N7O15 689.2505 NA PeJP NA NA +PJ017018 SSCCKY C27H43N7O10S2 689.2513 NA PeJP NA NA +PJ017019 SEEYY C31H39N5O13 689.2544 NA PeJP NA NA +PJ017020 TDEYY C31H39N5O13 689.2545 NA PeJP NA NA +PJ017021 DMMFF C32H43N5O8S2 689.2553 NA PeJP NA NA +PJ017022 GSTCHW C29H39N9O9S 689.2592 NA PeJP NA NA +PJ017023 GSSSSEH C25H39N9O14 689.2617 NA PeJP NA NA +PJ017024 GSQMMH C26H43N9O9S2 689.2625 NA PeJP NA NA +PJ017025 PPCCDR C26H43N9O9S2 689.2626 NA PeJP NA NA +PJ017026 GSPDEW C30H39N7O12 689.2657 NA PeJP NA NA +PJ017027 GPPCMW C31H43N7O7S2 689.2666 NA PeJP NA NA +PJ017028 GPQEEM C27H43N7O12S 689.2691 NA PeJP NA NA +PJ017029 DDFFF C35H39N5O10 689.2697 NA PeJP NA NA +PJ017030 EMHHH C28H39N11O8S 689.2704 NA PeJP NA NA +PJ017031 GNNDDR C24H39N11O13 689.2729 NA PeJP NA NA +PJ017032 VDMYY C32H43N5O10S 689.2731 NA PeJP NA NA +PJ017033 GSCMHR C25H43N11O8S2 689.2738 NA PeJP NA NA +PJ017034 CHHFF C33H39N9O6S 689.2744 NA PeJP NA NA +PJ017035 SSSSHW C29H39N9O11 689.2769 NA PeJP NA NA +PJ017036 GGGGGAEW C29H39N9O11 689.277 NA PeJP NA NA +PJ017037 GPDDMR C26H43N9O11S 689.2803 NA PeJP NA NA +PJ017038 SPDWW C34H39N7O9 689.281 NA PeJP NA NA +PJ017039 PQEMW C31H43N7O9S 689.2843 NA PeJP NA NA +PJ017040 GVQEEE C27H43N7O14 689.2868 NA PeJP NA NA +PJ017041 SPPQMM C28H47N7O9S2 689.2877 NA PeJP NA NA +PJ017042 GPNEHH C28H39N11O10 689.2882 NA PeJP NA NA +PJ017043 SSTCHR C25H43N11O10S 689.2915 NA PeJP NA NA +PJ017044 GGGGSPCR C25H43N11O10S 689.2916 NA PeJP NA NA +PJ017045 VMMFY C33H47N5O7S2 689.2917 NA PeJP NA NA +PJ017046 GNQWW C33H39N9O8 689.2922 NA PeJP NA NA +PJ017047 QQMHF C30H43N9O8S 689.2955 NA PeJP NA NA +PJ017048 PCERW C30H43N9O8S 689.2956 NA PeJP NA NA +PJ017049 ASSSTTH C26H43N9O13 689.298 NA PeJP NA NA +PJ017050 QEEER C26H43N9O13 689.2981 NA PeJP NA NA +PJ017051 SPPCMR C27H47N9O8S2 689.2989 NA PeJP NA NA +PJ017052 APMWW C35H43N7O6S 689.2996 NA PeJP NA NA +PJ017053 VQEEW C31H43N7O11 689.3021 NA PeJP NA NA +PJ017054 PNHHW C32H39N11O7 689.3034 NA PeJP NA NA +MJ090631 4-Methylaconitane-1,3,6,8,13,14,16,18-octol, O1,O6,O16,O18-Tetra-Me, 14-O-(3,4-dimethoxybenzoyl), 8-Ac, N-formyl C35H47NO13 689.30474 NA MeJP NA NA +MJ090632 Aconifine; N-De-Et, N-Me, O3-Ac C35H47NO13 689.30474 NA MeJP NA NA +PJ017055 SPVQEM C28H47N7O11S 689.3054 NA PeJP NA NA +PJ017056 GPKEEM C28H47N7O11S 689.3055 NA PeJP NA NA +PJ017057 PTFYY C36H43N5O9 689.3061 NA PeJP NA NA +PJ017058 CQHFR C29H43N11O7S 689.3068 NA PeJP NA NA +PJ017059 DDERR C25H43N11O12 689.3093 NA PeJP NA NA +PJ017060 TLMYY C33H47N5O9S 689.3095 NA PeJP NA NA +PJ017061 AEERW C30H43N9O10 689.3133 NA PeJP NA NA +PJ017062 GPTEMR C27H47N9O10S 689.3167 NA PeJP NA NA +PJ017063 GLEWW C35H43N7O8 689.3173 NA PeJP NA NA +PJ017064 PKEMW C32H47N7O8S 689.3207 NA PeJP NA NA +PJ017065 GVKEEE C28H47N7O13 689.3232 NA PeJP NA NA +PJ017066 SPPKMM C29H51N7O8S2 689.3241 NA PeJP NA NA +PJ017067 SNQRW C29H43N11O9 689.3245 NA PeJP NA NA +PJ017068 GGSQRW C29H43N11O9 689.3246 NA PeJP NA NA +PJ017069 VMFFF C37H47N5O6S 689.3247 NA PeJP NA NA +PJ017070 QQQMR C26H47N11O9S 689.3279 NA PeJP NA NA +PJ017071 GNKWW C34H43N9O7 689.3286 NA PeJP NA NA +PJ017072 PTMRW C31H47N9O7S 689.3319 NA PeJP NA NA +PJ017073 APPCFR C31H47N9O7S 689.332 NA PeJP NA NA +PJ017074 LWWW C39H43N7O5 689.3326 NA PeJP NA NA +PJ017075 KEEER C27H47N9O12 689.3344 NA PeJP NA NA +PJ017076 GGGDKKE C27H47N9O12 689.3345 NA PeJP NA NA +PJ017077 GPVMMR C28H51N9O7S2 689.3353 NA PeJP NA NA +PJ017078 GSPHHR C28H43N13O8 689.3358 NA PeJP NA NA +PJ017079 VKEEW C32H47N7O10 689.3385 NA PeJP NA NA +PJ017080 NNMRR C25H47N13O8S 689.3392 NA PeJP NA NA +PJ017081 LHHHF C33H43N11O6 689.3398 NA PeJP NA NA +C08704 Pseudoaconitine C36H51NO12 689.3411 NA KEGG NA NA +MJ090633 4-Methylaconitane-1,3,6,8,13,14,16,18-octol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-O-(3,4-dimethoxybenzoyl), 8-Ac C36H51NO12 689.341126 NA MeJP NA NA +PJ017082 SPVKEM C29H51N7O10S 689.3418 NA PeJP NA NA +PJ017083 GGALLEM C29H51N7O10S 689.3419 NA PeJP NA NA +PJ017084 VVFYY C37H47N5O8 689.3425 NA PeJP NA NA +PJ017085 CKHFR C30H47N11O6S 689.3432 NA PeJP NA NA +PJ017086 TEERR C26H47N11O11 689.3457 NA PeJP NA NA +PJ017087 PMMRR C27H51N11O6S2 689.3466 NA PeJP NA NA +PJ017088 SLERW C31H47N9O9 689.3497 NA PeJP NA NA +PJ017089 AALEMR C28H51N9O9S 689.3531 NA PeJP NA NA +PJ017090 SVLWW C36H47N7O7 689.3537 NA PeJP NA NA +PJ017091 GSSQRR C25H47N13O10 689.3569 NA PeJP NA NA +PJ017092 LLQMW C33H51N7O7S 689.3571 NA PeJP NA NA +PJ017093 ATLKEE C29H51N7O12 689.3596 NA PeJP NA NA +PJ017094 APLKMM C30H55N7O7S2 689.3605 NA PeJP NA NA +PJ017095 SNKRW C30H47N11O8 689.3609 NA PeJP NA NA +PJ017096 GGGLLHH C30H47N11O8 689.361 NA PeJP NA NA +PJ017097 VEMRR C27H51N11O8S 689.3643 NA PeJP NA NA +PJ017098 VVMRW C32H51N9O6S 689.3683 NA PeJP NA NA +PJ017099 ATTLER C28H51N9O11 689.3708 NA PeJP NA NA +7889 peptide from skin gelatin of hoki (Johnius belengerii) HGPLGPL 689.372 antibacterial Inhouse_peptide NA peptide +PJ017100 LQHHR C29H47N13O7 689.3722 NA PeJP NA NA +PJ017101 ASTLLW C33H51N7O9 689.3748 NA PeJP NA NA +PJ017102 GTTLLW C33H51N7O9 689.3749 NA PeJP NA NA +PJ017103 CQKRR C26H51N13O7S 689.3755 NA PeJP NA NA +PJ017104 GACKRR C26H51N13O7S 689.3756 NA PeJP NA NA +PJ017105 GLLKEM C30H55N7O9S 689.3782 NA PeJP NA NA +PJ017106 GSDKKR C27H51N11O10 689.3821 NA PeJP NA NA +PJ017107 TQKKW C32H51N9O8 689.3861 NA PeJP NA NA +PJ017108 GTLLMR C29H55N9O8S 689.3895 NA PeJP NA NA +PJ017109 PLKFW C37H51N7O6 689.3901 NA PeJP NA NA +PJ017110 GSSKRR C26H51N13O9 689.3933 NA PeJP NA NA +PJ017111 LLKMW C34H55N7O6S 689.3935 NA PeJP NA NA +PJ017112 STLLKE C30H55N7O11 689.396 NA PeJP NA NA +PJ017113 PVRRY C31H51N11O7 689.3973 NA PeJP NA NA +MJ090634 Fumonisin A1; 5,10-Dideoxy, N2-de-Ac C34H59NO13 689.39864 NA MeJP NA NA +PJ017114 QKKMR C28H55N11O7S 689.4007 NA PeJP NA NA +PJ017115 STTLLR C29H55N9O10 689.4072 NA PeJP NA NA +PJ017116 LKHHR C30H51N13O6 689.4086 NA PeJP NA NA +PJ017117 GPLLKY C34H55N7O8 689.4112 NA PeJP NA NA +PJ017118 GGALLLF C34H55N7O8 689.4113 NA PeJP NA NA +PJ017119 CKKRR C27H55N13O6S 689.4119 NA PeJP NA NA +MJ090635 Antascomicin; Antascomicin C C38H59NO10 689.413897 NA MeJP NA NA +MJ090636 Hygrolidin; Amide C38H59NO10 689.413897 NA MeJP NA NA +PJ017120 SVLLKM C31H59N7O8S 689.4146 NA PeJP NA NA +PJ017121 ASTKKR C28H55N11O9 689.4184 NA PeJP NA NA +PJ017122 GTTKKR C28H55N11O9 689.4185 NA PeJP NA NA +PJ017123 TKKKW C33H55N9O7 689.4225 NA PeJP NA NA +PJ017124 ACLKKK C30H59N9O7S 689.4258 NA PeJP NA NA +PJ017125 GVKKKM C30H59N9O7S 689.4259 NA PeJP NA NA +PJ017126 VLFRR C32H55N11O6 689.4337 NA PeJP NA NA +MJ090637 15-Norerythromycin A; 6-Deoxy, 3''-O-de-Me C35H63NO12 689.435026 NA MeJP NA NA +MJ090638 2-Norerythromycin; 12-Deoxy, O3''-de-Me C35H63NO12 689.435026 NA MeJP NA NA +PJ017127 KKKMR C29H59N11O6S 689.4371 NA PeJP NA NA +PJ017128 SSLKKK C30H59N9O9 689.4436 NA PeJP NA NA +PJ017129 GLLLKF C35H59N7O7 689.4476 NA PeJP NA NA +3824 NA KLKLLLLLKLKG 689.4925 MH2+ Inhouse_peptide NA peptide +HMDB07901 PC(14:1(9Z)/15:0) C37H72NO8P 689.499573 NA HMDB2010 NA NA +HMDB07933 PC(15:0/14:1(9Z)) C37H72NO8P 689.499573 NA HMDB2010 NA NA +HMDB08827 PE(14:0/18:1(11Z)) C37H72NO8P 689.499573 NA HMDB2010 NA NA +HMDB08828 PE(14:0/18:1(9Z)) C37H72NO8P 689.499573 NA HMDB2010 NA NA +HMDB08859 PE(14:1(9Z)/18:0) C37H72NO8P 689.499573 NA HMDB2010 NA NA +HMDB08924 PE(16:0/16:1(9Z)) C37H72NO8P 689.499573 NA HMDB2010 NA NA +HMDB08956 PE(16:1(9Z)/16:0) C37H72NO8P 689.499573 NA HMDB2010 NA NA +HMDB08987 PE(18:0/14:1(9Z)) C37H72NO8P 689.499573 NA HMDB2010 NA NA +HMDB09019 PE(18:1(11Z)/14:0) C37H72NO8P 689.499573 NA HMDB2010 NA NA +HMDB09052 PE(18:1(9Z)/14:0) C37H72NO8P 689.499573 NA HMDB2010 NA NA +HMDB07895 PC(14:0/P-16:0) C38H76NO7P 689.53595 NA HMDB2010 NA NA +HMDB08917 PE(15:0/P-18:0) C38H76NO7P 689.53595 NA HMDB2010 NA NA +HMDB11203 PC(P-16:0/14:0) C38H76NO7P 689.53595 NA HMDB2010 NA NA +HMDB11370 PE(P-18:0/15:0) C38H76NO7P 689.53595 NA HMDB2010 NA NA +HMDB13402 PC(o-14:0/16:1(9Z)) C38H76NO7P 689.53595 NA HMDB2010 NA NA +HMDB13403 PC(o-16:0/14:1(9Z)) C38H76NO7P 689.53595 NA HMDB2010 NA NA +EUR1059 SM(d18:1/15:0) monoisotopic mass C38H78N2O6P 689.559751 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1066 SM(d18:1/16:0) [M-H-CH3]- C39H80N2O6P 689.559751 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1059 SM(d18:1/15:0) monoisotopic mass C38H78N2O6P 689.559751 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1066 SM(d18:1/16:0) [M-H-CH3]- C39H80N2O6P 689.559751 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1059 SM(d18:1/15:0) monoisotopic mass C38H78N2O6P 689.559751 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1066 SM(d18:1/16:0) [M-H-CH3]- C39H80N2O6P 689.559751 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1059 SM(d18:1/15:0) monoisotopic mass C38H78N2O6P 689.559751 masses lipides attendues Inhousejuil11 NA NA +EUR1066 SM(d18:1/16:0) [M-H-CH3]- C39H80N2O6P 689.559751 masses lipides attendues Inhousejuil11 NA NA +C16463 3',5'-Cyclic diGMP C20H24N10O14P2 690.0949 NA KEGG NA NA +FL5FAAGLS003 Kaempferol 3-(6''-sulfatogetiobioside) C27H30O19S 690.11019 75759-58-9 knapsack NA NA +MJ090639 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-(O-Sulfoxy-?-L-rhamnopyranoside) C27H30O19S 690.110199 NA MeJP NA NA +MJ090640 Orientin; 7-O-(O-Sulfatoglucoside) C27H30O19S 690.110199 NA MeJP NA NA +PJ017130 CCCCEM C22H38N6O9S5 690.1304 NA PeJP NA NA +PJ017131 PCCCCY C26H38N6O8S4 690.1634 NA PeJP NA NA +PJ017132 TCCCMM C23H42N6O8S5 690.1668 NA PeJP NA NA +MJ090641 Lyngbyabellin A C29H40Cl2N4O7S2 690.171546 NA MeJP NA NA +MJ090642 Visnagin oligomers; Visnagin trimer (n = 2) C39H30O12 690.173726 NA MeJP NA NA +PJ017133 GCCDMY C26H38N6O10S3 690.1812 NA PeJP NA NA +PJ017134 SCDDDH C24H34N8O14S 690.1916 NA PeJP NA NA +PJ017135 PCCCEH C25H38N8O9S3 690.1924 NA PeJP NA NA +PJ017136 PDDDDD C25H34N6O17 690.1981 NA PeJP NA NA +PJ017137 SSCCEY C26H38N6O12S2 690.1989 NA PeJP NA NA +PJ017138 GCCMMF C27H42N6O7S4 690.1998 NA PeJP NA NA +MJ090643 Formadicins; Formadicin B C30H34N4O15 690.202066 NA MeJP NA NA +PJ017139 GCDEMH C25H38N8O11S2 690.2102 NA PeJP NA NA +PJ017140 GCCDFF C30H38N6O9S2 690.2142 NA PeJP NA NA +MJ090644 Swertisin; 2''-O-(2-O-Acetyl-?-L-rhamnopyranosyl), 4-Me ether, O''-Ac C33H38O16 690.215985 NA MeJP NA NA +PJ017141 GSCMMY C27H42N6O9S3 690.2176 NA PeJP NA NA +PJ017142 SCCNQH C24H38N10O10S2 690.2214 NA PeJP NA NA +MJ090645 4-[4-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methylethyl)-3H-1,2,4-triazol-3-one C34H36Cl2N8O4 690.223657 NA MeJP NA NA +PJ017143 CDMHW C29H38N8O8S2 690.2254 NA PeJP NA NA +PJ017144 SSDDMH C25H38N8O13S 690.2279 NA PeJP NA NA +PJ017145 GGGGPCDE C25H38N8O13S 690.228 NA PeJP NA NA +PJ017146 PTCCMH C26H42N8O8S3 690.2288 NA PeJP NA NA +MJ090646 Aquayamycin; 3'-Deoxy, 3,4'-bis-O-(2,3,6-trideoxy-?-D-glycero-hex-2-enopyranos-4-ulosyl) C37H38O13 690.231241 NA MeJP NA NA +PJ017147 CNEYY C30H38N6O11S 690.2319 NA PeJP NA NA +PJ017148 GGCEYY C30H38N6O11S 690.232 NA PeJP NA NA +PJ017149 SPDDEE C26H38N6O16 690.2345 NA PeJP NA NA +PJ017150 SSTCMY C27H42N6O11S2 690.2353 NA PeJP NA NA +PJ017151 GSSSCNH C24H38N10O12S 690.2392 NA PeJP NA NA +PJ017152 GPCNDW C29H38N8O10S 690.2432 NA PeJP NA NA +PJ017153 GNNEEE C25H38N8O15 690.2457 NA PeJP NA NA +PJ017154 GSEMMH C26H42N8O10S2 690.2466 NA PeJP NA NA +PJ017155 GCYYW C34H38N6O8S 690.2472 NA PeJP NA NA +PJ017156 GSSDYY C30H38N6O13 690.2497 NA PeJP NA NA +PJ017157 CQMFY C31H42N6O8S2 690.2506 NA PeJP NA NA +MJ090647 1,2,3,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-Benzoyl, 1,2,3,6,9,14-hexa-Ac C34H42O15 690.25237 NA MeJP NA NA +MJ090648 3,3',4',5,7-Pentahydroxy-8-prenylflavone; 4',7-Di-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] C34H42O15 690.25237 NA MeJP NA NA +FL5FCEGI0001 8-Prenylquercetin 7,4'-dimethyl ether 3-rhamnosyl-(1->4)-rhamnoside;3-[[6-Deoxy-4-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C34H42O15 690.25237 209166-99-4 knapsack NA NA +PJ017158 GPEEEM C27H42N6O13S 690.2531 NA PeJP NA NA +PJ017159 GCNNHF C28H38N10O9S 690.2544 NA PeJP NA NA +MJ090649 2,15-Dihydroxy-16-kaurene-18,19-dioic acid, 2-O-[2-(3-Methylbutanoyl)-3-sulfo-?-D-glucopyranoside] C31H46O15S 690.255741 NA MeJP NA NA +PJ017160 GNDDDR C24H38N10O14 690.2569 NA PeJP NA NA +PJ017161 GGGGGGGGSE C24H38N10O14 690.257 NA PeJP NA NA +PJ017162 SCCNKH C25H42N10O9S2 690.2578 NA PeJP NA NA +PJ017163 NNEEW C29H38N8O12 690.2609 NA PeJP NA NA +PJ017164 GGNEEW C29H38N8O12 690.261 NA PeJP NA NA +PJ017165 SMMHW C30H42N8O7S2 690.2618 NA PeJP NA NA +PJ017166 SSTEMH C26H42N8O12S 690.2643 NA PeJP NA NA +PJ017167 AAMMMH C27H46N8O7S3 690.2652 NA PeJP NA NA +PJ017168 GTCHHH C27H38N12O8S 690.2657 NA PeJP NA NA +MJ090650 2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 5,7-Dibenzoyl, 3,15-di-Ac C38H42O12 690.267626 NA MeJP NA NA +MJ090651 2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 8-Ketone, 9?-alcohol, 5,7-dibenzoyl, 3,15-di-Ac C38H42O12 690.267626 NA MeJP NA NA +MJ090652 Staminolactone A C38H42O12 690.267626 NA MeJP NA NA +MJ090653 Staminolactone B C38H42O12 690.267626 NA MeJP NA NA +PJ017169 PEEMW C31H42N6O10S 690.2683 NA PeJP NA NA +PJ017170 AVDEEE C27H42N6O15 690.2708 NA PeJP NA NA +PJ017171 GVEEEE C27H42N6O15 690.2709 NA PeJP NA NA +PJ017172 SPPEMM C28H46N6O10S2 690.2717 NA PeJP NA NA +PJ017173 GSNNNW C28H38N10O11 690.2722 NA PeJP NA NA +PJ017174 SPCNDR C25H42N10O11S 690.2755 NA PeJP NA NA +PJ017175 GGSPCDR C25H42N10O11S 690.2756 NA PeJP NA NA +PJ017176 GNEWW C33H38N8O9 690.2762 NA PeJP NA NA +PJ017177 GSPNMW C30H42N8O9S 690.2796 NA PeJP NA NA +PJ017178 EEEER C26H42N8O14 690.2821 NA PeJP NA NA +MJ090654 Ingenol; 20-Deoxy, 13-(phenylacetyloxy), 16-(benzoyloxy), 3-benzoyl C42H42O9 690.282882 NA MeJP NA NA +PJ017179 ATTMMH C27H46N8O9S2 690.2829 NA PeJP NA NA +PJ017180 GGAPQMM C27H46N8O9S2 690.283 NA PeJP NA NA +PJ017181 SSSHHH C27H38N12O10 690.2834 NA PeJP NA NA +PJ017182 CQFFF C35H42N6O7S 690.2836 NA PeJP NA NA +PJ017183 VEEEW C31H42N6O12 690.2861 NA PeJP NA NA +PJ017184 GCNNQR C24H42N12O10S 690.2868 NA PeJP NA NA +PJ017185 CKMFY C32H46N6O7S2 690.287 NA PeJP NA NA +PJ017186 PDHHW C32H38N10O8 690.2874 NA PeJP NA NA +MJ090655 11(15?1)-Abeo-11-taxene-2,4,5,7,9,10,13,15,20-nonol, 10-Benzoyl, 5,7,9,20-tetra-Ac C35H46O14 690.288756 NA MeJP NA NA +MJ090656 2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 8-Angeloyl, 2,3,5,7,15-penta-Ac C35H46O14 690.288756 NA MeJP NA NA +MJ090657 2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 8-Tigloyl, 2,3,5,7,15-penta-Ac C35H46O14 690.288756 NA MeJP NA NA +MJ090658 Atomasin A C35H46O14 690.288756 NA MeJP NA NA +MJ090659 Meliacarpinin; 11-Methoxy, 1-tigloyl, 3-Ac C35H46O14 690.288756 NA MeJP NA NA +MJ090660 Meliacarpinin; 11-Methoxy, 3-tigloyl, 1-Ac C35H46O14 690.288756 NA MeJP NA NA +MJ090661 Squalestatin H2; 6-O-(4S,6S-Dimethyl-2-octenoyl), 12-Ac C35H46O14 690.288756 NA MeJP NA NA +PJ017187 SPVEEM C28H46N6O12S 690.2895 NA PeJP NA NA +PJ017188 PPCLMM C29H50N6O7S3 690.2903 NA PeJP NA NA +PJ017189 CEHFR C29H42N10O8S 690.2908 NA PeJP NA NA +PJ017190 NWWW C37H38N8O6 690.2914 NA PeJP NA NA +PJ017191 GGWWW C37H38N8O6 690.2915 NA PeJP NA NA +PJ017192 GSNEER C25H42N10O13 690.2933 NA PeJP NA NA +PJ017193 GPCQMR C26H46N10O8S2 690.2942 NA PeJP NA NA +PJ017194 AMHFW C34H42N8O6S 690.2948 NA PeJP NA NA +PJ017195 NDKEW C30H42N8O11 690.2973 NA PeJP NA NA +PJ017196 GGGGAPEF C30H42N8O11 690.2974 NA PeJP NA NA +PJ017197 NHHHF C31H38N12O7 690.2987 NA PeJP NA NA +PJ017198 TTTTMH C27H46N8O11S 690.3007 NA PeJP NA NA +PJ017199 AQFYY C35H42N6O9 690.3013 NA PeJP NA NA +PJ017200 PPEYW C35H42N6O9 690.3014 NA PeJP NA NA +PJ017201 SSNNNR C24H42N12O12 690.3045 NA PeJP NA NA +PJ017202 GGGGSSNR C24H42N12O12 690.3046 NA PeJP NA NA +PJ017203 SKMYY C32H46N6O9S 690.3047 NA PeJP NA NA +PJ017204 GPCCRR C25H46N12O7S2 690.3054 NA PeJP NA NA +PJ017205 ATLEEE C28H46N6O14 690.3072 NA PeJP NA NA +PJ017206 APLEMM C29H50N6O9S2 690.3081 NA PeJP NA NA +PJ017207 SNERW C29H42N10O10 690.3086 NA PeJP NA NA +MJ090662 Orthoesterol A; Disulfate C33H54O11S2 690.310753 NA MeJP NA NA +PJ017208 QQEMR C26H46N10O10S 690.3119 NA PeJP NA NA +PJ017209 GGGVDMR C26H46N10O10S 690.312 NA PeJP NA NA +PJ017210 GDKWW C34H42N8O8 690.3126 NA PeJP NA NA +PJ017211 VQQMW C31H46N8O8S 690.3159 NA PeJP NA NA +PJ017212 GGLQMW C31H46N8O8S 690.316 NA PeJP NA NA +PJ017213 SSLQQE C27H46N8O13 690.3184 NA PeJP NA NA +PJ017214 GTQKEE C27H46N8O13 690.3185 NA PeJP NA NA +MJ090663 Yukomarin C43H46O8 690.319268 NA MeJP NA NA +PJ017215 GPQKMM C28H50N8O8S2 690.3193 NA PeJP NA NA +PJ017216 AAQQHH C28H42N12O9 690.3198 NA PeJP NA NA +PJ017217 CKFFF C36H46N6O6S 690.32 NA PeJP NA NA +PJ017218 SPPVEY C32H46N6O11 690.3225 NA PeJP NA NA +MJ090664 Bastaxanthol; 16'-Aldehyde, 3-O-sulfate C40H50O8S 690.322639 NA MeJP NA NA +PJ017219 NDMRR C25H46N12O9S 690.3232 NA PeJP NA NA +PJ017220 GSRWW C33H42N10O7 690.3238 NA PeJP NA NA +MJ090665 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 8,14-bis(2-methylbutanoyl), 1,2-di-Ac C36H50O13 690.325141 NA MeJP NA NA +MJ090666 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 8,14-bis(2-methylbutanoyl), 1,6-di-Ac C36H50O13 690.325141 NA MeJP NA NA +MJ090667 Aquastatin B; 4'-O-?-D-Glucuronopyranoside C36H50O13 690.325141 NA MeJP NA NA +MJ090668 Prasinic acid; O-De-Me, 2-O-(6-O-acetyl-?-D-galactopyranoside) C36H50O13 690.325141 NA MeJP NA NA +MJ090669 Prasinic acid; O-De-Me, 2-O-(6-O-acetyl-?-D-glucopyranoside) C36H50O13 690.325141 NA MeJP NA NA +PJ017221 PTTLEM C29H50N6O11S 690.3258 NA PeJP NA NA +PJ017222 GLLEEM C29H50N6O11S 690.3259 NA PeJP NA NA +PJ017223 AQMRW C30H46N10O7S 690.3272 NA PeJP NA NA +MJ090670 3,6,20-Trihydroxycholestan-23-one, 3-O-?-D-Glucuronopyranoside, 6-sulfate C33H54O13S 690.328512 NA MeJP NA NA +MJ090671 Cholest-9(11)-ene-3,6,16,20-tetrol, 3-O-?-D-Glucuronopyranoside, 6-sulfate C33H54O13S 690.328512 NA MeJP NA NA +MJ090672 Furost-5-ene-1,3,22,26-tetrol, 26-O-?-D-Glucopyranoside, 1-sulfate C33H54O13S 690.328512 NA MeJP NA NA +PJ017224 GSDKER C26H46N10O12 690.3297 NA PeJP NA NA +MJ090673 Dalfopristin C34H50N4O9S 690.329849 NA MeJP NA NA +C08033 Dalfopristin C34H50N4O9S 690.3299 NA KEGG NA NA +PJ017225 GPCKMR C27H50N10O7S2 690.3306 NA PeJP NA NA +PJ017226 NQHHR C27H42N14O8 690.331 NA PeJP NA NA +PJ017227 GGGAHHR C27H42N14O8 690.3311 NA PeJP NA NA +PJ017228 TQKEW C31H46N8O10 690.3337 NA PeJP NA NA +PJ017229 GVQKEM C28H50N8O10S 690.3371 NA PeJP NA NA +PJ017230 PLEFW C36H46N6O8 690.3377 NA PeJP NA NA +PJ017231 ACRRW C29H46N12O6S 690.3384 NA PeJP NA NA +PJ017232 GSSERR C25H46N12O11 690.3409 NA PeJP NA NA +PJ017233 LLEMW C33H50N6O8S 690.3411 NA PeJP NA NA +MJ090674 Peceyline; N1-De-Me C41H46N4O6 690.341735 NA MeJP NA NA +PJ017234 STLLEE C29H50N6O13 690.3436 NA PeJP NA NA +PJ017235 SPLLMM C30H54N6O8S2 690.3445 NA PeJP NA NA +PJ017236 SDKRW C30H46N10O9 690.3449 NA PeJP NA NA +PJ017237 GATTRW C30H46N10O9 690.345 NA PeJP NA NA +PJ017238 QKEMR C27H50N10O9S 690.3483 NA PeJP NA NA +PJ017239 ATKWW C35H46N8O7 690.349 NA PeJP NA NA +PJ017240 VQKMW C32H50N8O7S 690.3523 NA PeJP NA NA +PJ017241 GGLKMW C32H50N8O7S 690.3524 NA PeJP NA NA +PJ017242 ASKKEE C28H50N8O12 690.3548 NA PeJP NA NA +PJ017243 GTKKEE C28H50N8O12 690.3549 NA PeJP NA NA +MJ090675 Tepicanol A C44H50O7 690.355653 NA MeJP NA NA +PJ017244 GPKKMM C29H54N8O7S2 690.3557 NA PeJP NA NA +PJ017245 SSRRW C29H46N12O8 690.3562 NA PeJP NA NA +PJ017246 GPLLEY C33H50N6O10 690.3589 NA PeJP NA NA +PJ017247 TQMRR C26H50N12O8S 690.3596 NA PeJP NA NA +PJ017248 VLHHW C34H46N10O6 690.3602 NA PeJP NA NA +PJ017249 SVLLEM C30H54N6O10S 690.3622 NA PeJP NA NA +PJ017250 AKMRW C31H50N10O6S 690.3636 NA PeJP NA NA +PJ017251 GTTKER C27H50N10O11 690.3661 NA PeJP NA NA +PJ017252 NKHHR C28H46N14O7 690.3674 NA PeJP NA NA +PJ017253 TKKEW C32H50N8O9 690.3701 NA PeJP NA NA +PJ017254 TCRRR C25H50N14O7S 690.3708 NA PeJP NA NA +PJ017255 GVKKEM C29H54N8O9S 690.3735 NA PeJP NA NA +PJ017256 PLLYW C37H50N6O7 690.3741 NA PeJP NA NA +PJ017257 GTTTRR C26H50N12O10 690.3773 NA PeJP NA NA +PJ017258 APLLMF C34H54N6O7S 690.3775 NA PeJP NA NA +C09193 Gabunamine C42H50N4O5 690.3781 NA KEGG NA NA +C09195 Gabunine C42H50N4O5 690.3781 NA KEGG NA NA +MJ090676 Alstomacroline C42H50N4O5 690.37812 NA MeJP NA NA +MJ090677 Conoduramine; N-De-Me C42H50N4O5 690.37812 NA MeJP NA NA +MJ090678 Conoduramine; O-De-Me C42H50N4O5 690.37812 NA MeJP NA NA +MJ090679 Conodurine; N-De-Me C42H50N4O5 690.37812 NA MeJP NA NA +MJ090680 Plumocraline C42H50N4O5 690.37812 NA MeJP NA NA +MJ090681 Villalstonine; 10-Methoxy C42H50N4O5 690.37812 NA MeJP NA NA +MJ090682 Voacamine; N-De-Me C42H50N4O5 690.37812 NA MeJP NA NA +MJ090683 Voacanga thouarsii Alkaloid G C42H50N4O5 690.37812 NA MeJP NA NA +PJ017259 ALLLMM C31H58N6O7S2 690.3809 NA PeJP NA NA +PJ017260 TTKRW C31H50N10O8 690.3813 NA PeJP NA NA +MJ090684 Immunopoietin M C31H50N10O8 690.381308 NA MeJP NA NA +PJ017261 GGGVVFR C31H50N10O8 690.3814 NA PeJP NA NA +MJ090685 Candida bombicola Sophorolipid lactone; 9'',10''-Dihydro, 6,6'-di-Ac C34H58O14 690.382656 NA MeJP NA NA +PJ017262 KKEMR C28H54N10O8S 690.3847 NA PeJP NA NA +PJ017263 LKHFF C36H50N8O6 690.3854 NA PeJP NA NA +MJ090686 Alkaloid LC7 C40H54N2O8 690.388016 NA MeJP NA NA +PJ017264 VKKMW C33H54N8O6S 690.3887 NA PeJP NA NA +PJ017265 SSLKKE C29H54N8O11 690.3912 NA PeJP NA NA +PJ017266 VNFRR C30H50N12O7 690.3926 NA PeJP NA NA +3368 ACE inhibitor FQKVVA 690.393 celiac toxic Inhouse_peptide NA peptide +25 Hemoglobin FQKVVA 690.395 celiac toxic Inhouse_peptide NA peptide +PJ017267 SPVLLY C34H54N6O9 690.3952 NA PeJP NA NA +PJ017268 PVVTLY C34H54N6O9 690.3953 NA PeJP NA NA +PJ017269 TKMRR C27H54N12O7S 690.3959 NA PeJP NA NA +MJ090687 16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 25-Ac, 3-O-?-D-galactopyranoside C38H58O11 690.397912 NA MeJP NA NA +MJ090688 16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 25-Ac, 3-O-?-D-glucopyranoside C38H58O11 690.397912 NA MeJP NA NA +MJ090689 24,25-Epoxy-3,15,23-trihydroxy-7-cycloarten-16-one, 23-Ac, 3-O-?-D-galactopyranoside C38H58O11 690.397912 NA MeJP NA NA +MJ090690 Hygrolidin C38H58O11 690.397912 NA MeJP NA NA +PJ017270 TTLLLM C31H58N6O9S 690.3986 NA PeJP NA NA +PJ017271 SSTLKR C28H54N10O10 690.4025 NA PeJP NA NA +PJ017272 GFRRR C29H50N14O6 690.4038 NA PeJP NA NA +PJ017273 GPVKKY C33H54N8O8 690.4065 NA PeJP NA NA +PJ017274 ATLKKM C30H58N8O8S 690.4099 NA PeJP NA NA +PJ017275 LLLFW C38H54N6O6 690.4105 NA PeJP NA NA +C09234 Quadrigemine A C44H50N8 690.4158 NA KEGG NA NA +MJ090691 Psycholeine C44H50N8 690.415843 NA MeJP NA NA +MJ090692 Quadrigemine A C44H50N8 690.415843 NA MeJP NA NA +MJ090693 Quadrigemine B C44H50N8 690.415843 NA MeJP NA NA +MJ090694 Quadrigemine H C44H50N8 690.415843 NA MeJP NA NA +MJ090695 Quadrigemine I C44H50N8 690.415843 NA MeJP NA NA +PJ017276 PKKRY C32H54N10O7 690.4177 NA PeJP NA NA +PJ017277 GCKKKK C29H58N10O7S 690.4211 NA PeJP NA NA +PJ017278 TTTLKK C30H58N8O10 690.4276 NA PeJP NA NA +PJ017279 GLLLLY C35H58N6O8 690.4316 NA PeJP NA NA +MJ090696 12-Oleanene-3,15,16,21,22,28-hexol, 21 or 22-(2-Acetoxy-2-methylbutanoyl), 28-Ac C39H62O10 690.434298 NA MeJP NA NA +MJ090697 Roseofungin C39H62O10 690.434298 NA MeJP NA NA +MJ090698 SRI 63-675 C38H63N2O7P 690.437288 NA MeJP NA NA +PJ017280 GVLKKF C34H58N8O7 690.4429 NA PeJP NA NA +PJ017281 LKKFR C33H58N10O6 690.4541 NA PeJP NA NA +MJ090699 Minalemines; Minalemine B, N13-Sulfate C30H62N10O6S 690.45745 NA MeJP NA NA +MJ090700 3-(17-Tetracosenyloxy)-1,2-propanediol, Di-O-?-D-Xylopyranoside C37H70O11 690.491813 NA MeJP NA NA +HMDB07469 DG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C45H70O5 690.522339 NA HMDB2010 NA NA +HMDB07498 DG(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C45H70O5 690.522339 NA HMDB2010 NA NA +HMDB07525 DG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C45H70O5 690.522339 NA HMDB2010 NA NA +HMDB07526 DG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C45H70O5 690.522339 NA HMDB2010 NA NA +HMDB07554 DG(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C45H70O5 690.522339 NA HMDB2010 NA NA +HMDB07555 DG(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C45H70O5 690.522339 NA HMDB2010 NA NA +HMDB07582 DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C45H70O5 690.522339 NA HMDB2010 NA NA +HMDB07694 DG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C45H70O5 690.522339 NA HMDB2010 NA NA +HMDB07721 DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C45H70O5 690.522339 NA HMDB2010 NA NA +HMDB07722 DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C45H70O5 690.522339 NA HMDB2010 NA NA +HMDB07750 DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C45H70O5 690.522339 NA HMDB2010 NA NA +HMDB07751 DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C45H70O5 690.522339 NA HMDB2010 NA NA +HMDB07777 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/0:0) C45H70O5 690.522339 NA HMDB2010 NA NA +HMDB07778 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/0:0) C45H70O5 690.522339 NA HMDB2010 NA NA +MJ090701 23-Methylpentacosanoic acid; Heneicosyl ester C47H94O2 690.725382 NA MeJP NA NA +MJ090702 Fodipir; Mn(II) complex C22H30MnN4O14P2 691.061424 NA MeJP NA NA +MJ090703 Hexakis(methyl isocyanoacetate)technetium(I)(1+) C24H30N6O12Tc(+) 691.091561 NA MeJP NA NA +PJ017282 GTCCCCC C21H37N7O9S5 691.1257 NA PeJP NA NA +PJ017283 SSSCCCC C21H37N7O11S4 691.1434 NA PeJP NA NA +PJ017284 CCCCNF C25H37N7O8S4 691.1587 NA PeJP NA NA +PJ017285 SCCCNY C25H37N7O10S3 691.1764 NA PeJP NA NA +PJ017286 SCCNEH C24H37N9O11S2 691.2054 NA PeJP NA NA +PJ017287 PCNDDE C25H37N7O14S 691.2119 NA PeJP NA NA +PJ017288 GGPCDDE C25H37N7O14S 691.212 NA PeJP NA NA +PJ017289 CDEYY C30H37N5O12S 691.216 NA PeJP NA NA +PJ017290 GSCCHW C28H37N9O8S2 691.2207 NA PeJP NA NA +PJ017291 GSSSCDH C24H37N9O13S 691.2232 NA PeJP NA NA +PJ017292 GCNMMH C25H41N9O8S3 691.2241 NA PeJP NA NA +PJ017293 GPCDDW C29H37N7O11S 691.2272 NA PeJP NA NA +PJ017294 GNDEEE C25H37N7O16 691.2297 NA PeJP NA NA +PJ017295 GSPPCCE C26H41N7O11S2 691.2306 NA PeJP NA NA +PJ017296 CNNNNN C23H37N11O12S 691.2344 NA PeJP NA NA +PJ017297 GGGGGGGGGGC C23H37N11O12S 691.2345 NA PeJP NA NA +PJ017298 CEMFY C31H41N5O9S2 691.2346 NA PeJP NA NA +PJ017299 ACCCHR C24H41N11O7S3 691.2353 NA PeJP NA NA +PJ017300 GCNDHF C28H37N9O10S 691.2384 NA PeJP NA NA +PJ017301 GGGCDHF C28H37N9O10S 691.2385 NA PeJP NA NA +PJ017302 SNNNDE C24H37N9O15 691.2409 NA PeJP NA NA +PJ017303 GDDDDR C24H37N9O15 691.241 NA PeJP NA NA +PJ017304 SSCQMH C25H41N9O10S2 691.2418 NA PeJP NA NA +PJ017305 NDEEW C29H37N7O13 691.245 NA PeJP NA NA +PJ017306 SPPCCW C30H41N7O8S2 691.2458 NA PeJP NA NA +PJ017307 SPNDEM C26H41N7O13S 691.2483 NA PeJP NA NA +PJ017308 PPCNMM C27H45N7O8S3 691.2492 NA PeJP NA NA +PJ017309 SEMYY C31H41N5O11S 691.2523 NA PeJP NA NA +PJ017310 SSCCHR C24H41N11O9S2 691.253 NA PeJP NA NA +HMDB00445 Alpha-Tetrasaccharide C26H45NO20 691.253479 NA HMDB2010 NA NA +HMDB00445 a-Tetrasaccharide C26H45NO20 691.25348 http://www.hmdb.ca/metabolites/HMDB00445 HMDB NA NA +HMDB00445 a-Tetrasaccharide C26H45NO20 691.25348 HMDB00445 PFEM_hmdb_metabocards_official NA NA +PJ017311 GSNNDW C28H37N9O12 691.2562 NA PeJP NA NA +PJ017312 SPCDDR C25H41N9O12S 691.2596 NA PeJP NA NA +PJ017313 GDEWW C33H37N7O10 691.2602 NA PeJP NA NA +PJ017314 ACCKMH C26H45N9O7S3 691.2604 NA PeJP NA NA +PJ017315 GSPDMW C30H41N7O10S 691.2636 NA PeJP NA NA +PJ017316 GTQEEE C26H41N7O15 691.2661 NA PeJP NA NA +PJ017317 GPQEMM C27H45N7O10S2 691.267 NA PeJP NA NA +PJ017318 PCFYY C35H41N5O8S 691.2676 NA PeJP NA NA +PJ017319 MMHHH C28H41N11O6S2 691.2683 NA PeJP NA NA +PJ017320 GCNNER C24H41N11O11S 691.2708 NA PeJP NA NA +PJ017321 CLMYY C32H45N5O8S2 691.271 NA PeJP NA NA +PJ017322 NNQMW C29H41N9O9S 691.2748 NA PeJP NA NA +PJ017323 DWWW C37H37N7O7 691.2755 NA PeJP NA NA +PJ017324 GSDEER C25H41N9O14 691.2773 NA PeJP NA NA +PJ017325 GPCEMR C26H45N9O9S2 691.2782 NA PeJP NA NA +PJ017326 GNNNHH C26H37N13O10 691.2787 NA PeJP NA NA +PJ017327 PTCWW C34H41N7O7S 691.2788 NA PeJP NA NA +PJ017328 TQEEW C30H41N7O12 691.2813 NA PeJP NA NA +PJ017329 GATEEW C30H41N7O12 691.2814 NA PeJP NA NA +PJ017330 PQMMW C31H45N7O7S2 691.2822 NA PeJP NA NA +PJ017331 DHHHF C31H37N11O8 691.2827 NA PeJP NA NA +PJ017332 GVQEEM C27H45N7O12S 691.2847 NA PeJP NA NA +PJ017333 SPYYY C35H41N5O10 691.2853 NA PeJP NA NA +PJ017334 AEFYY C35H41N5O10 691.2854 NA PeJP NA NA +PJ017335 CNNRW C28H41N11O8S 691.286 NA PeJP NA NA +PJ017336 GGCNRW C28H41N11O8S 691.2861 NA PeJP NA NA +MJ090704 Maytansine C34H46ClN3O10 691.287172 NA MeJP NA NA +C10606 Maytansine C34H46ClN3O10 691.2872 NA KEGG NA NA +PJ017337 SSNNDR C24H41N11O13 691.2886 NA PeJP NA NA +PJ017338 SDERW C29H41N9O11 691.2926 NA PeJP NA NA +PJ017339 PCMRW C30H45N9O6S2 691.2935 NA PeJP NA NA +PJ017340 QEEMR C26H45N9O11S 691.2959 NA PeJP NA NA +PJ017341 GAEEMR C26H45N9O11S 691.296 NA PeJP NA NA +PJ017342 ATEWW C34H41N7O9 691.2966 NA PeJP NA NA +MJ090705 Cardiopidine; 14-Hydroxy, O3-deacyl, O2-(2-methylbutanoyl), O3-Ac C38H45NO11 691.299261 NA MeJP NA NA +PJ017343 VQEMW C31H45N7O9S 691.3 NA PeJP NA NA +PJ017344 GTKEEE C27H45N7O14 691.3025 NA PeJP NA NA +PJ017345 APDKMM C28H49N7O9S2 691.3033 NA PeJP NA NA +PJ017346 GPKEMM C28H49N7O9S2 691.3034 NA PeJP NA NA +PJ017347 AAQEHH C28H41N11O10 691.3038 NA PeJP NA NA +PJ017348 CLFFY C36H45N5O7S 691.304 NA PeJP NA NA +PJ017349 DDMRR C25H45N11O10S 691.3072 NA PeJP NA NA +PJ017350 NQHFF C33H41N9O8 691.3078 NA PeJP NA NA +PJ017351 AEMRW C30H45N9O8S 691.3112 NA PeJP NA NA +PJ017352 GPFWW C38H41N7O6 691.3119 NA PeJP NA NA +PJ017353 GTTEER C26H45N9O13 691.3137 NA PeJP NA NA +PJ017354 GPTMMR C27H49N9O8S2 691.3146 NA PeJP NA NA +PJ017355 NEHHR C27H41N13O9 691.315 NA PeJP NA NA +PJ017356 GGEHHR C27H41N13O9 691.3151 NA PeJP NA NA +PJ017357 GLMWW C35H45N7O6S 691.3152 NA PeJP NA NA +PJ017358 TKEEW C31H45N7O11 691.3177 NA PeJP NA NA +PJ017359 GSCNRR C24H45N13O9S 691.3184 NA PeJP NA NA +PJ017360 PKMMW C32H49N7O6S2 691.3186 NA PeJP NA NA +PJ017361 VNHHW C32H41N11O7 691.3191 NA PeJP NA NA +PJ017362 GVKEEM C28H49N7O11S 691.3211 NA PeJP NA NA +PJ017363 ALYYY C36H45N5O9 691.3217 NA PeJP NA NA +PJ017364 APCKHH C29H45N11O7S 691.3224 NA PeJP NA NA +PJ017365 SSSQQR C25H45N11O12 691.3249 NA PeJP NA NA +PJ017366 GGGGSTTR C25H45N11O12 691.325 NA PeJP NA NA +PJ017367 TTERW C30H45N9O10 691.329 NA PeJP NA NA +PJ017368 GHHRW C31H41N13O6 691.3303 NA PeJP NA NA +PJ017369 KEEMR C27H49N9O10S 691.3323 NA PeJP NA NA +PJ017370 GGGDKKM C27H49N9O10S 691.3324 NA PeJP NA NA +PJ017371 STLWW C35H45N7O8 691.333 NA PeJP NA NA +PJ017372 VKEMW C32H49N7O8S 691.3364 NA PeJP NA NA +PJ017373 SSSPTTL C28H49N7O13 691.3388 NA PeJP NA NA +PJ017374 SSLKEE C28H49N7O13 691.3389 NA PeJP NA NA +PJ017375 SPVKMM C29H53N7O8S2 691.3397 NA PeJP NA NA +PJ017376 NQQFR C29H45N11O9 691.3402 NA PeJP NA NA +PJ017377 TEMRR C26H49N11O9S 691.3436 NA PeJP NA NA +PJ017378 APRYW C34H45N9O7 691.3442 NA PeJP NA NA +PJ017379 SLMRW C31H49N9O7S 691.3476 NA PeJP NA NA +PJ017380 SSTLER C27H49N9O12 691.3501 NA PeJP NA NA +PJ017381 AALMMR C28H53N9O7S2 691.351 NA PeJP NA NA +PJ017382 DKHHR C28H45N13O8 691.3514 NA PeJP NA NA +PJ017383 SSSLLW C32H49N7O10 691.3541 NA PeJP NA NA +PJ017384 PPHRW C33H45N11O6 691.3555 NA PeJP NA NA +MJ090706 Grandifoline C36H53NO12 691.356776 NA MeJP NA NA +MJ090707 Paludosine; 2''-O-L-Arabinofuranosyl C36H53NO12 691.356776 NA MeJP NA NA +PJ017385 ATLKEM C29H53N7O10S 691.3575 NA PeJP NA NA +PJ017386 SSSQKR C26H49N11O11 691.3613 NA PeJP NA NA +PJ017387 VMMRR C27H53N11O6S2 691.3622 NA PeJP NA NA +PJ017388 SHHRR C27H45N15O7 691.3627 NA PeJP NA NA +PJ017389 PKERY C31H49N9O9 691.3653 NA PeJP NA NA +PJ017390 GSSKKW C31H49N9O9 691.3654 NA PeJP NA NA +PJ017391 ATTLMR C28H53N9O9S 691.3687 NA PeJP NA NA +PJ017392 PVKYW C36H49N7O7 691.3694 NA PeJP NA NA +PJ017393 GPLKMF C33H53N7O7S 691.3728 NA PeJP NA NA +PJ017394 TTTLKE C29H53N7O12 691.3752 NA PeJP NA NA +PJ017395 GLLKMM C30H57N7O7S2 691.3761 NA PeJP NA NA +PJ017396 PTRRY C30H49N11O8 691.3766 NA PeJP NA NA +MJ090708 Fumonisin C1; 4-Deoxy C33H57NO14 691.377905 NA MeJP NA NA +PJ017397 GTCKKR C27H53N11O8S 691.38 NA PeJP NA NA +PJ017398 ALFRW C35H49N9O6 691.3806 NA PeJP NA NA +PJ017399 CKKKW C32H53N9O6S 691.384 NA PeJP NA NA +PJ017400 TTTTLR C28H53N9O11 691.3865 NA PeJP NA NA +PJ017401 APTLKY C33H53N7O9 691.3905 NA PeJP NA NA +MJ090709 Germine; ?-Angloyl, ?-tigloyl, ?-Ac C37H57NO11 691.393161 NA MeJP NA NA +PJ017402 STLLKM C30H57N7O9S 691.3939 NA PeJP NA NA +PJ017403 SSSKKR C27H53N11O10 691.3977 NA PeJP NA NA +PJ017404 LLQRY C32H53N9O8 691.4017 NA PeJP NA NA +PJ017405 GGGVKKF C32H53N9O8 691.4018 NA PeJP NA NA +PJ017406 GTKKKM C29H57N9O8S 691.4051 NA PeJP NA NA +PJ017407 VLKFW C37H53N7O6 691.4058 NA PeJP NA NA +C15733 Chivosazole F C41H57NO8 691.4084 NA KEGG NA NA +MJ090710 Chivosazole E; Aglycone, 20-Me ether C41H57NO8 691.408417 NA MeJP NA NA +PJ017408 VVRRY C31H53N11O7 691.413 NA PeJP NA NA +PJ017409 STTKKK C29H57N9O10 691.4229 NA PeJP NA NA +MJ090711 Monamycins; Monamycin C C34H57N7O8 691.426861 NA MeJP NA NA +MJ090712 Monamycins; Monamycin D1 C34H57N7O8 691.426861 NA MeJP NA NA +MJ090713 Monamycins; Monamycin D2 C34H57N7O8 691.426861 NA MeJP NA NA +PJ017410 GVLLKY C34H57N7O8 691.4269 NA PeJP NA NA +PJ017411 LLKRY C33H57N9O7 691.4381 NA PeJP NA NA +HMDB07868 PC(14:0/15:0) C37H74NO8P 691.515198 NA HMDB2010 NA NA +HMDB07932 PC(15:0/14:0) C37H74NO8P 691.515198 NA HMDB2010 NA NA +HMDB08826 PE(14:0/18:0) C37H74NO8P 691.515198 NA HMDB2010 NA NA +HMDB08923 PE(16:0/16:0) C37H74NO8P 691.515198 NA HMDB2010 NA NA +HMDB08986 PE(18:0/14:0) C37H74NO8P 691.515198 NA HMDB2010 NA NA +HMDB05317 GPEtn(16:0/16:0)[U] C37H74NO8P 691.5152 http://www.hmdb.ca/metabolites/HMDB05317 HMDB NA NA +HMDB05325 GPEtn(18:0/14:0)[U] C37H74NO8P 691.5152 http://www.hmdb.ca/metabolites/HMDB05325 HMDB NA NA +HMDB05317 GPEtn(16:0/16:0)[U] C37H74NO8P 691.5152 HMDB05317 PFEM_hmdb_metabocards_official NA NA +HMDB05325 GPEtn(18:0/14:0)[U] C37H74NO8P 691.5152 HMDB05325 PFEM_hmdb_metabocards_official NA NA +MJ090714 Pamamycin; Pamamycin 691 C41H73NO7 691.538703 NA MeJP NA NA +HMDB13341 PC(o-14:0/16:0) C38H78NO7P 691.551575 NA HMDB2010 NA NA +EUR1041 SM(d18:0/16:0) [M-H-CH3]- C39H82N2O6P 691.575401 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1041 SM(d18:0/16:0) [M-H-CH3]- C39H82N2O6P 691.575401 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1041 SM(d18:0/16:0) [M-H-CH3]- C39H82N2O6P 691.575401 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1041 SM(d18:0/16:0) [M-H-CH3]- C39H82N2O6P 691.575401 masses lipides attendues Inhousejuil11 NA NA +7800 ACE inhibitor from alpha s1-casein FFVAPFPEVFGK 691.853 MH2+ Inhouse_peptide NA peptide +8311 Anticancer peptide FFVAPFPEVFGK 691.853 MH2+ Inhouse_peptide NA peptide +C13024 Cefpimizole sodium C28H25N6O10S2 692.0971 NA KEGG NA NA +C13025 Transferred to D01569 C28H25N6O10S2 692.0971 NA KEGG NA NA +C13026 Transferred to D01570 C28H25N6O10S2 692.0971 NA KEGG NA NA +C13027 Transferred to D01571 C28H25N6O10S2 692.0971 NA KEGG NA NA +C13028 Transferred to D01572 C28H25N6O10S2 692.0971 NA KEGG NA NA +C13029 Transferred to D01573 C28H25N6O10S2 692.0971 NA KEGG NA NA +C13030 Transferred to D01574 C28H25N6O10S2 692.0971 NA KEGG NA NA +HMDB01501 Guanosine diphosphate adenosine C20H26N10O14P2 692.11053 http://www.hmdb.ca/metabolites/HMDB01501 HMDB NA NA +HMDB01501 Guanosine diphosphate adenosine C20H26N10O14P2 692.11053 HMDB01501 PFEM_hmdb_metabocards_official NA NA +HMDB01501 Guanosine diphosphate adenosine C20H26N10O14P2 692.110535 NA HMDB2010 NA NA +PJ017412 CCCCMM C22H40N6O7S6 692.1283 NA PeJP NA NA +PJ017413 CCCCDF C25H36N6O9S4 692.1427 NA PeJP NA NA +MJ090715 Cyclic malyl cyanidin; 3'-Deoxy C31H33O18(+) 692.158864 NA MeJP NA NA +PJ017414 SCCCDY C25H36N6O11S3 692.1604 NA PeJP NA NA +MJ090716 3,4,5-Tri-O-caffeoylquinic acid C35H32O15 692.17412 NA MeJP NA NA +MJ090717 ?-Naphthocyclinone epoxide C35H32O15 692.17412 NA MeJP NA NA +PJ017415 ACCCMY C26H40N6O8S4 692.1791 NA PeJP NA NA +PJ017416 CCCNNH C23H36N10O9S3 692.1829 NA PeJP NA NA +PJ017417 SCCDEH C24H36N8O12S2 692.1894 NA PeJP NA NA +PJ017418 PCCCMH C25H40N8O7S4 692.1903 NA PeJP NA NA +FL5FEAGS0019 6-Methoxykaempferol 3,7-bis(3-acetylrhamnoside) C32H36O17 692.19524 124962-16-9 knapsack NA NA +MJ090718 3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3,7-Di-O-(3-O-acetyl-?-L-rhamnopyranoside) C32H36O17 692.195249 NA MeJP NA NA +MJ090719 Vitexin; 4'-Me ether, di-O''-Ac, 7-O-?-D-glucopyranoside C32H36O17 692.195249 NA MeJP NA NA +PJ017419 PCDDDE C25H36N6O15S 692.196 NA PeJP NA NA +PJ017420 SSCCMY C26H40N6O10S3 692.1968 NA PeJP NA NA +PJ017421 GCDMMH C25H40N8O9S3 692.2081 NA PeJP NA NA +MJ090720 8-[1-Hydroxy-2-[[5-hydroxy-3,6,8-trimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-7-yl]oxy]-3-methyl-3-butenyl]-7-methoxy-2H-1-benzopyran-2-one C36H36O14 692.210505 NA MeJP NA NA +PJ017422 ACCCFF C30H40N6O7S3 692.2121 NA PeJP NA NA +PJ017423 GDDEEE C25H36N6O17 692.2137 NA PeJP NA NA +PJ017424 CNNNND C23H36N10O13S 692.2184 NA PeJP NA NA +PJ017425 GGGGGGCND C23H36N10O13S 692.2185 NA PeJP NA NA +PJ017426 GCDDHF C28H36N8O11S 692.2225 NA PeJP NA NA +PJ017427 SNNDDE C24H36N8O16 692.2249 NA PeJP NA NA +PJ017428 GGSNDDE C24H36N8O16 692.225 NA PeJP NA NA +MJ090721 Albanin F C40H36O11 692.225761 NA MeJP NA NA +MJ090722 Artonin I C40H36O11 692.225761 NA MeJP NA NA +MJ090723 Kuwanon L; 2,3-Didehydro, 3-(3-methyl-2-butenyl) C40H36O11 692.225761 NA MeJP NA NA +MJ090724 Multicaulisin C40H36O11 692.225761 NA MeJP NA NA +C10099 Kuwanone G C40H36O11 692.2258 NA KEGG NA NA +PJ017429 SSCEMH C25H40N8O11S2 692.2258 NA PeJP NA NA +PJ017430 GCCHHH C26H36N12O7S2 692.2272 NA PeJP NA NA +PJ017431 DDEEW C29H36N6O14 692.229 NA PeJP NA NA +PJ017432 CNMYY C30H40N6O9S2 692.2298 NA PeJP NA NA +C17750 Curcumin diglucoside C33H40O16 692.2316 NA KEGG NA NA +FL5FABGI0006 Anhydroicaritin 3,7-diglucoside C33H40O16 692.23163 151466-48-7 knapsack NA NA +FL5FABGI0008 Cuhuoside;8-Prenylkaempferol 4'-methyl ether 7-cellobioside;7-[(4-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-3,5-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C33H40O16 692.23163 150903-46-1 knapsack NA NA +MJ090725 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3,7-di-O-?-D-glucopyranoside C33H40O16 692.231635 NA MeJP NA NA +MJ090726 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 7-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] C33H40O16 692.231635 NA MeJP NA NA +PJ017433 SPCEEE C26H40N6O14S 692.2323 NA PeJP NA NA +PJ017434 SPDDEM C26H40N6O14S 692.2324 NA PeJP NA NA +PJ017435 PPCDMM C27H44N6O9S3 692.2332 NA PeJP NA NA +PJ017436 GSNDDW C28H36N8O13 692.2402 NA PeJP NA NA +PJ017437 GPCCQW C29H40N8O8S2 692.2411 NA PeJP NA NA +PJ017438 GNNEEM C25H40N8O13S 692.2436 NA PeJP NA NA +PJ017439 VTCCMH C26H44N8O8S3 692.2444 NA PeJP NA NA +PJ017440 GSMMMH C26H44N8O8S3 692.2445 NA PeJP NA NA +PJ017441 GSTCYY C30H40N6O11S 692.2476 NA PeJP NA NA +PJ017442 GTEEEE C26H40N6O16 692.2501 NA PeJP NA NA +PJ017443 GPEEMM C27H44N6O11S2 692.251 NA PeJP NA NA +PJ017444 PPCCHH C28H40N10O7S2 692.2523 NA PeJP NA NA +PJ017445 GCNDER C24H40N10O12S 692.2548 NA PeJP NA NA +PJ017446 NNEMW C29H40N8O10S 692.2588 NA PeJP NA NA +PJ017447 SSNQEE C25H40N8O15 692.2613 NA PeJP NA NA +PJ017448 GGGGSTEE C25H40N8O15 692.2614 NA PeJP NA NA +PJ017449 SSTMMH C26H44N8O10S2 692.2622 NA PeJP NA NA +PJ017450 GNNDHH C26H36N12O11 692.2627 NA PeJP NA NA +PJ017451 CNFFY C34H40N6O8S 692.2629 NA PeJP NA NA +PJ017452 SSSSYY C30H40N6O13 692.2653 NA PeJP NA NA +PJ017453 TEEEW C30H40N6O13 692.2654 NA PeJP NA NA +PJ017454 PEMMW C31H44N6O8S2 692.2662 NA PeJP NA NA +MJ090727 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1-Benzoyl, 9-(2-hydroxy-2-methylpropanoyl), 2,6,8,14-tetra-Ac C34H44O15 692.26802 NA MeJP NA NA +PJ017455 GVEEEM C27H44N6O13S 692.2687 NA PeJP NA NA +PJ017456 SPPMMM C28H48N6O8S3 692.2696 NA PeJP NA NA +PJ017457 CNDRW C28H40N10O9S 692.2701 NA PeJP NA NA +MJ090728 Maytanbutacine C34H45ClN2O11 692.271187 NA MeJP NA NA +PJ017458 SSNDDR C24H40N10O14 692.2726 NA PeJP NA NA +MJ090729 Oxothalicarpine C40H40N2O9 692.27338 NA MeJP NA NA +MJ090730 Vilaportine C40H40N2O9 692.27338 NA MeJP NA NA +PJ017459 SPCCQR C25H44N10O9S2 692.2734 NA PeJP NA NA +PJ017460 GNMWW C33H40N8O7S 692.2741 NA PeJP NA NA +PJ017461 GSSQEW C29H40N8O12 692.2766 NA PeJP NA NA +PJ017462 GPCCKW C30H44N8O7S2 692.2775 NA PeJP NA NA +PJ017463 EEEMR C26H44N8O12S 692.28 NA PeJP NA NA +PJ017464 PDEFW C34H40N6O10 692.2806 NA PeJP NA NA +MJ090731 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 8-tigloyl, 6,14-di-Ac C38H44O12 692.283276 NA MeJP NA NA +MJ090732 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,9-Dibenzoyl, 4,7-di-Ac C38H44O12 692.283276 NA MeJP NA NA +MJ090733 15(13?12)-Abeo-1,2,3,7,8,11,13-heptahydroxy-15-isopimaren-14-one, 1,11-Dibenzoyl, 2,7-di-Ac C38H44O12 692.283276 NA MeJP NA NA +MJ090734 15(13?12)-Abeo-1,2,3,7,8,11,13-heptahydroxy-15-isopimaren-14-one, 1,11-Dibenzoyl, 3,7-di-Ac C38H44O12 692.283276 NA MeJP NA NA +MJ090735 Torreyanic acid C38H44O12 692.283276 NA MeJP NA NA +PJ017465 VEEMW C31H44N6O10S 692.284 NA PeJP NA NA +PJ017466 SSLEEE C27H44N6O15 692.2865 NA PeJP NA NA +PJ017467 SPVEMM C28H48N6O10S2 692.2874 NA PeJP NA NA +PJ017468 GNNNQF C28H40N10O11 692.2878 NA PeJP NA NA +PJ017469 GGGGGGGQF C28H40N10O11 692.2879 NA PeJP NA NA +PJ017470 CMHFR C29H44N10O6S2 692.2887 NA PeJP NA NA +PJ017471 GSNEMR C25H44N10O11S 692.2912 NA PeJP NA NA +PJ017472 SSQWW C33H40N8O9 692.2918 NA PeJP NA NA +PJ017473 GGSTWW C33H40N8O9 692.2919 NA PeJP NA NA +PJ017474 NDKMW C30H44N8O9S 692.2952 NA PeJP NA NA +PJ017475 SSNKEE C26H44N8O14 692.2977 NA PeJP NA NA +PJ017476 GVQQMM C27H48N8O9S2 692.2986 NA PeJP NA NA +PJ017477 DEHHR C27H40N12O10 692.2991 NA PeJP NA NA +PJ017478 PPMYW C35H44N6O7S 692.2992 NA PeJP NA NA +PJ017479 SPPTEY C31H44N6O12 692.3017 NA PeJP NA NA +PJ017480 GPVEEY C31H44N6O12 692.3018 NA PeJP NA NA +PJ017481 GSCDRR C24H44N12O10S 692.3024 NA PeJP NA NA +PJ017482 APPMMF C32H48N6O7S2 692.3026 NA PeJP NA NA +PJ017483 VDHHW C32H40N10O8 692.3031 NA PeJP NA NA +MJ090736 1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 1-[2-(2-Hydroxy-3-methylbutanoyloxy)-3-(4-hydroxyphenyl)propanoyl], 15-O-?-D-glucopyranoside C35H48O14 692.304406 NA MeJP NA NA +MJ090737 2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 8-(2-Methylbutanoyl), 2,3,5,7,15-penta-Ac C35H48O14 692.304406 NA MeJP NA NA +MJ090738 Euphorbia substance SPr5; 8-Debenzoyl, 8-(2-methylpropanoyl) C35H48O14 692.304406 NA MeJP NA NA +MJ090739 Gomphoside; 3'-Epimer, 19-oxo, 5,6-didehydro, 3'-O-?-D-glucopyranoside C35H48O14 692.304406 NA MeJP NA NA +MJ090740 Javanicinoside F; 2-De-Ac, 2-Me ether C35H48O14 692.304406 NA MeJP NA NA +PJ017484 ATLEEM C28H48N6O12S 692.3051 NA PeJP NA NA +PJ017485 APLMMM C29H52N6O7S3 692.306 NA PeJP NA NA +PJ017486 SNMRW C29H44N10O8S 692.3064 NA PeJP NA NA +PJ017487 GGSMRW C29H44N10O8S 692.3065 NA PeJP NA NA +PJ017488 GHFFW C37H40N8O6 692.3071 NA PeJP NA NA +PJ017489 SSSQER C25H44N10O13 692.309 NA PeJP NA NA +PJ017490 QQMMR C26H48N10O8S2 692.3098 NA PeJP NA NA +PJ017491 ACKWW C34H44N8O6S 692.3105 NA PeJP NA NA +MJ090741 Ditryptophenaline C42H40N6O4 692.311103 NA MeJP NA NA +PJ017492 GSSKEW C30H44N8O11 692.313 NA PeJP NA NA +PJ017493 KMMHF C31H48N8O6S2 692.3138 NA PeJP NA NA +PJ017494 SVNDKM C27H48N8O11S 692.3163 NA PeJP NA NA +PJ017495 GTQKEM C27H48N8O11S 692.3164 NA PeJP NA NA +PJ017496 PVEYW C35H44N6O9 692.317 NA PeJP NA NA +PJ017497 SPPVMY C32H48N6O9S 692.3204 NA PeJP NA NA +PJ017498 CQMRR C25H48N12O7S2 692.3211 NA PeJP NA NA +PJ017499 TTTLEE C28H48N6O14 692.3229 NA PeJP NA NA +PJ017500 PTTLMM C29H52N6O9S2 692.3237 NA PeJP NA NA +PJ017501 GLLEMM C29H52N6O9S2 692.3238 NA PeJP NA NA +PJ017502 GSSTRW C29H44N10O10 692.3242 NA PeJP NA NA +MJ090742 Rishitin; 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] C32H52O16 692.325535 NA MeJP NA NA +3348 ACE inhibitor IWHHT 692.326 celiac toxic Inhouse_peptide NA peptide +MJ090743 Orthoesterol A; 24,28-Dihydro, disulfate C33H56O11S2 692.326404 NA MeJP NA NA +PJ017503 GSDKMR C26H48N10O10S 692.3276 NA PeJP NA NA +PJ017504 SSKWW C34H44N8O8 692.3282 NA PeJP NA NA +PJ017505 GGGGLFW C34H44N8O8 692.3283 NA PeJP NA NA +PJ017506 TQKMW C31H48N8O8S 692.3316 NA PeJP NA NA +PJ017507 PPFFW C39H44N6O6 692.3323 NA PeJP NA NA +PJ017508 SSDKKE C27H48N8O13 692.3341 NA PeJP NA NA +PJ017509 GVQKMM C28H52N8O8S2 692.335 NA PeJP NA NA +PJ017510 GSQKHH C28H44N12O9 692.3355 NA PeJP NA NA +PJ017511 PLMFW C36H48N6O6S 692.3356 NA PeJP NA NA +PJ017512 APTLEY C32H48N6O11 692.3381 NA PeJP NA NA +MJ090744 Bastaxanthol; 3-O-Sulfate C40H52O8S 692.338289 NA MeJP NA NA +PJ017513 GSSMRR C25H48N12O9S 692.3388 NA PeJP NA NA +PJ017514 LLMMW C33H52N6O6S2 692.339 NA PeJP NA NA +PJ017515 GQFRW C33H44N10O7 692.3395 NA PeJP NA NA +MJ090745 3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C36H52O13 692.340791 NA MeJP NA NA +MJ090746 3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C36H52O13 692.340791 NA MeJP NA NA +MJ090747 Carolinoside C36H52O13 692.340791 NA MeJP NA NA +C08879 Scillaren A C36H52O13 692.3408 NA KEGG NA NA +PJ017516 STLLEM C29H52N6O11S 692.3415 NA PeJP NA NA +PJ017517 TCKRW C30H48N10O7S 692.3428 NA PeJP NA NA +PJ017518 GVLMHH C30H48N10O7S 692.3429 NA PeJP NA NA +MJ090748 Cholestane-3,6,16,20-tetrol, 3-O-?-D-Glucuronopyranoside, 6-sulfate C33H56O13S 692.344162 NA MeJP NA NA +PJ017519 SSSKER C26H48N10O12 692.3453 NA PeJP NA NA +PJ017520 QKMMR C27H52N10O7S2 692.3462 NA PeJP NA NA +PJ017521 GTTTKW C31H48N8O10 692.3494 NA PeJP NA NA +PJ017522 PHHFR C32H44N12O6 692.3507 NA PeJP NA NA +PJ017523 GTKKEM C28H52N8O10S 692.3527 NA PeJP NA NA +MJ090749 Antibiotic A 54556; Antibiotic A 54556C C36H48N6O8 692.353362 NA MeJP NA NA +PJ017524 VLEFW C36H48N6O8 692.3534 NA PeJP NA NA +PJ017525 LMHHR C29H48N12O6S 692.3541 NA PeJP NA NA +PJ017526 SSSTRR C25H48N12O11 692.3566 NA PeJP NA NA +PJ017527 GPLLMY C33H52N6O8S 692.3568 NA PeJP NA NA +MJ090750 Ceylanicine C41H48N4O6 692.357385 NA MeJP NA NA +PJ017528 CKMRR C26H52N12O6S2 692.3575 NA PeJP NA NA +PJ017529 SVLLMM C30H56N6O8S2 692.3601 NA PeJP NA NA +PJ017530 VQQRY C30H48N10O9 692.3606 NA PeJP NA NA +MJ090751 Bismahanine C46H48N2O4 692.361408 NA MeJP NA NA +PJ017531 GTTKMR C27H52N10O9S 692.364 NA PeJP NA NA +PJ017532 VNKFW C35H48N8O7 692.3646 NA PeJP NA NA +PJ017533 TKKMW C32H52N8O7S 692.368 NA PeJP NA NA +3783 NA HCQRPR 692.37 ACE inhibitor Inhouse_peptide NA peptide +PJ017534 STTKKE C28H52N8O12 692.3705 NA PeJP NA NA +PJ017535 GVKKMM C29H56N8O7S2 692.3714 NA PeJP NA NA +PJ017536 AQRRY C29H48N12O8 692.3718 NA PeJP NA NA +PJ017537 GGGPLHR C29H48N12O8 692.3719 NA PeJP NA NA +PJ017538 GVLLEY C33H52N6O10 692.3745 NA PeJP NA NA +PJ017539 GKFRW C34H48N10O6 692.3759 NA PeJP NA NA +MJ090752 3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucuronopyranoside, 30-Me ester C37H56O12 692.377177 NA MeJP NA NA +MJ090753 Antibiotic PD 118576A1 C37H56O12 692.377177 NA MeJP NA NA +MJ090754 Antibiotic PD 118576A2 C37H56O12 692.377177 NA MeJP NA NA +MJ090755 VE1 C37H56O12 692.377177 NA MeJP NA NA +MJ090756 Cholestane-3,6,8,15,16-pentol, 3-O-[2,4-Di-O-methyl-?-D-xylopyranoside], 15-sulfate C34H60O12S 692.380548 NA MeJP NA NA +PJ017540 STTTKR C27H52N10O11 692.3817 NA PeJP NA NA +PJ017541 KKMMR C28H56N10O6S2 692.3826 NA PeJP NA NA +PJ017542 PQHRR C28H48N14O7 692.3831 NA PeJP NA NA +PJ017543 LLERY C32H52N8O9 692.3857 NA PeJP NA NA +PJ017544 GPTKKY C32H52N8O9 692.3858 NA PeJP NA NA +PJ017545 SSLKKM C29H56N8O9S 692.3891 NA PeJP NA NA +PJ017546 VLLYW C37H52N6O7 692.3898 NA PeJP NA NA +MJ090757 Melianin A; 23-Ketone C41H56O9 692.392433 NA MeJP NA NA +PJ017547 GLLLMF C34H56N6O7S 692.3932 NA PeJP NA NA +PJ017548 VQKRY C31H52N10O8 692.397 NA PeJP NA NA +PJ017549 AKRRY C30H52N12O7 692.4082 NA PeJP NA NA +PJ017550 ATLLLY C34H56N6O9 692.4109 NA PeJP NA NA +MJ090758 16,23-Epoxycycloart-7-ene-3,15,16,24,25-pentol, 25-Me ether, 24-Ac, 3-O-?-D-xylopyranoside C38H60O11 692.413562 NA MeJP NA NA +MJ090759 2,3,16,25-Tetrahydroxy-5,23-cucurbitadien-22-one, 2-O-?-D-Glucopyranoside, 25-Ac C38H60O11 692.413562 NA MeJP NA NA +MJ090760 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-(carboxymethyl) ester C38H60O11 692.413562 NA MeJP NA NA +MJ090761 Antibiotic WF 11605 C38H60O11 692.413562 NA MeJP NA NA +MJ090762 Crustulinol; 2-O-(3-Hydroxy-3-methylglutaroyl)(S)-, 3-Ac C38H60O11 692.413562 NA MeJP NA NA +PJ017551 PKHRR C29H52N14O6 692.4195 NA PeJP NA NA +PJ017552 AALKKY C33H56N8O8 692.4221 NA PeJP NA NA +PJ017553 AAPPPLK C33H56N8O8 692.4222 NA PeJP NA NA +PJ017554 VKKRY C32H56N10O7 692.4334 NA PeJP NA NA +MJ090763 Iejimalide B C41H60N2O7 692.440052 NA MeJP NA NA +MJ090764 Concanamycin A; 23-O-Deglycosyl C39H64O10 692.449948 NA MeJP NA NA +PJ017555 VVLLLH C34H60N8O7 692.4585 NA PeJP NA NA +MJ090765 Stigmast-5-en-3-ol, O-[?-Rhamnopyranosyl-(1?5)-?-L-arabinofuranoside] C40H68O9 692.486333 NA MeJP NA NA +EUR535 12 :0 SM F2 F2 692.507125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR535 12 :0 SM F2 NA 692.507125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR535 12 :0 SM F2 F2 692.507125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR535 12 :0 SM F2 NA 692.507125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR535 12 :0 SM F2 F2 692.507125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR535 12 :0 SM F2 NA 692.507125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR535 12 :0 SM F2 F2 692.507125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR535 12 :0 SM F2 F2 692.507125 standards wishlist analysés sur QTOF HMDB NA NA +EUR535 12 :0 SM F2 F2 692.507125 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR535 12 :0 SM F2 NA 692.507125 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR535 12 :0 SM F2 F2 692.507125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR535 12 :0 SM F2 F2 692.507125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR1037 d18:1-12:0 SM [M+FA-H]- C35H71N2O6P 692.509856 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1037 d18:1-12:0 SM [M+FA-H]- C35H71N2O6P 692.509856 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1037 d18:1-12:0 SM [M+FA-H]- C35H71N2O6P 692.509856 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1037 d18:1-12:0 SM [M+FA-H]- C35H71N2O6P 692.509856 masses lipides attendues Inhousejuil11 NA NA +HMDB07440 DG(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C45H72O5 692.537964 NA HMDB2010 NA NA +HMDB07467 DG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C45H72O5 692.537964 NA HMDB2010 NA NA +HMDB07468 DG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C45H72O5 692.537964 NA HMDB2010 NA NA +HMDB07496 DG(20:3(8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C45H72O5 692.537964 NA HMDB2010 NA NA +HMDB07497 DG(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C45H72O5 692.537964 NA HMDB2010 NA NA +HMDB07524 DG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C45H72O5 692.537964 NA HMDB2010 NA NA +HMDB07553 DG(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C45H72O5 692.537964 NA HMDB2010 NA NA +HMDB07692 DG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C45H72O5 692.537964 NA HMDB2010 NA NA +HMDB07693 DG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C45H72O5 692.537964 NA HMDB2010 NA NA +HMDB07719 DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/0:0) C45H72O5 692.537964 NA HMDB2010 NA NA +HMDB07720 DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)/0:0) C45H72O5 692.537964 NA HMDB2010 NA NA +HMDB07748 DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/0:0) C45H72O5 692.537964 NA HMDB2010 NA NA +HMDB07749 DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/0:0) C45H72O5 692.537964 NA HMDB2010 NA NA +HMDB07776 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)/0:0) C45H72O5 692.537964 NA HMDB2010 NA NA +MJ090766 Variabilin, 18-(2,11-Dimethyloctadecanoyl) C45H72O5 692.537975 NA MeJP NA NA +MJ090767 Glycerol trialkanoates (triacid); Glycerol 1-(9Z-octadecenoate) 2-octanoate 3-tetradecanoate C43H80O6 692.59549 NA MeJP NA NA +MJ090768 Stigmast-5-ene-3,7-diol, 7-Ketone, 3-(9Z-octadecenoyl) C47H80O3 692.610746 NA MeJP NA NA +MJ090769 12-Oleanen-3-ol, O-Octadecanoyl C48H84O2 692.647131 NA MeJP NA NA +MJ090770 12-Ursen-3-ol, Octadecanoyl C48H84O2 692.647131 NA MeJP NA NA +MJ090771 20(29)-Lupen-3-ol, Octadecanoyl C48H84O2 692.647131 NA MeJP NA NA +MJ090772 Lanost-8-en-3-ol, 9Z-Octadecenoyl C48H84O2 692.647131 NA MeJP NA NA +PJ017556 GCCCCCC C20H35N7O8S6 693.0872 NA PeJP NA NA +FL7AAAGL0053 3,5-di-O-(beta-Glucopyranosyl) pelargonidin 6''-O-4, 6'''-O-1-cyclic malate C31H33O18 693.16668 - knapsack NA NA +PJ017557 CCCNDH C23H35N9O10S3 693.1669 NA PeJP NA NA +PJ017558 GPPCCCD C25H39N7O10S3 693.1921 NA PeJP NA NA +PJ017559 CNNNDD C23H35N9O14S 693.2024 NA PeJP NA NA +PJ017560 GGCNNDD C23H35N9O14S 693.2025 NA PeJP NA NA +PJ017561 SCCNMH C24H39N9O9S3 693.2033 NA PeJP NA NA +FL2F1AGSN001 Licorice glycoside E C35H35NO14 693.20575 202657-66-7 knapsack NA NA +MJ090773 4',7-Dihydroxyflavanone, 4'-O-[1H-Indole-3-ylcarbonyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C35H35NO14 693.205754 NA MeJP NA NA +PJ017562 SNDDDE C24H35N7O17 693.209 NA PeJP NA NA +PJ017563 PCNDDM C25H39N7O12S2 693.2098 NA PeJP NA NA +PJ017564 GGPCDDM C25H39N7O12S2 693.2099 NA PeJP NA NA +PJ017565 CDMYY C30H39N5O10S2 693.2139 NA PeJP NA NA +PJ017566 GSSTCCH C24H39N9O11S2 693.2211 NA PeJP NA NA +PJ017567 GSDDDW C28H35N7O14 693.2242 NA PeJP NA NA +PJ017568 GPCCEW C29H39N7O9S2 693.2251 NA PeJP NA NA +MJ090774 Mayotamide A C30H43N7O4S4 693.225935 NA MeJP NA NA +PJ017569 GNDEEM C25H39N7O14S 693.2276 NA PeJP NA NA +PJ017570 GSPPCCM C26H43N7O9S3 693.2285 NA PeJP NA NA +PJ017571 CMMFY C31H43N5O7S3 693.2325 NA PeJP NA NA +MetaCyc04059 β-D-Gal-(1->3)-β-D-GlcNAc-(1->3)-β-D-Gal-(1->4)-D-Glc [] C25H43N1O21 693.232757 NA metacyc NA NA +PJ017572 GCCQHF C28H39N9O8S2 693.2363 NA PeJP NA NA +PJ017573 GCDDER C24H39N9O13S 693.2388 NA PeJP NA NA +PJ017574 GGGGGGSDM C24H39N9O13S 693.2389 NA PeJP NA NA +PJ017575 TCCCKH C25H43N9O8S3 693.2397 NA PeJP NA NA +PJ017576 PCCWW C33H39N7O6S2 693.2403 NA PeJP NA NA +PJ017577 NDEMW C29H39N7O11S 693.2428 NA PeJP NA NA +PJ017578 GGDEMW C29H39N7O11S 693.2429 NA PeJP NA NA +PJ017579 SSSSPDD C25H39N7O16 693.2453 NA PeJP NA NA +PJ017580 SSNEEE C25H39N7O16 693.2454 NA PeJP NA NA +PJ017581 SPNDMM C26H43N7O11S2 693.2462 NA PeJP NA NA +PJ017582 GNDDHH C26H35N11O12 693.2467 NA PeJP NA NA +PJ017583 CDFFY C34H39N5O9S 693.2469 NA PeJP NA NA +PJ017584 SMMYY C31H43N5O9S2 693.2502 NA PeJP NA NA +PJ017585 CDDRW C28H39N9O10S 693.2541 NA PeJP NA NA +PJ017586 SSDDDR C24H39N9O15 693.2566 NA PeJP NA NA +PJ017587 SPCCER C25H43N9O10S2 693.2575 NA PeJP NA NA +PJ017588 GDMWW C33H39N7O8S 693.2581 NA PeJP NA NA +PJ017589 GSSEEW C29H39N7O13 693.2606 NA PeJP NA NA +PJ017590 GPTCMW C30H43N7O8S2 693.2615 NA PeJP NA NA +PJ017591 GTQEEM C26H43N7O13S 693.264 NA PeJP NA NA +PJ017592 GEYYY C34H39N5O11 693.2646 NA PeJP NA NA +PJ017593 GPQMMM C27H47N7O8S3 693.2649 NA PeJP NA NA +PJ017594 SPCNHH C27H39N11O9S 693.2653 NA PeJP NA NA +PJ017595 CMFFF C35H43N5O6S2 693.2655 NA PeJP NA NA +PJ017596 GCNNMR C24H43N11O9S2 693.2687 NA PeJP NA NA +PJ017597 SSSNNW C28H39N9O12 693.2718 NA PeJP NA NA +PJ017598 GGGGSSSW C28H39N9O12 693.2719 NA PeJP NA NA +PJ017599 GCCKHF C29H43N9O7S2 693.2727 NA PeJP NA NA +PJ017600 GSDEMR C25H43N9O12S 693.2752 NA PeJP NA NA +PJ017601 SSEWW C33H39N7O10 693.2759 NA PeJP NA NA +PJ017602 GPCMMR C26H47N9O7S3 693.2761 NA PeJP NA NA +MJ090775 Cyclodidemnamide C34H43N7O5S2 693.276708 NA MeJP NA NA +MJ090776 Altromycin H; N-Me C37H43NO12 693.278525 NA MeJP NA NA +PJ017603 TQEMW C30H43N7O10S 693.2792 NA PeJP NA NA +PJ017604 GGPVCDF C30H43N7O10S 693.2793 NA PeJP NA NA +PJ017605 YYYW C38H39N5O8 693.2799 NA PeJP NA NA +PJ017606 SSDKEE C26H43N7O15 693.2817 NA PeJP NA NA +PJ017607 GVQEMM C27H47N7O10S2 693.2826 NA PeJP NA NA +PJ017608 GSQEHH C27H39N11O11 693.2831 NA PeJP NA NA +PJ017609 AMFYY C35H43N5O8S 693.2832 NA PeJP NA NA +PJ017610 SSCNQR C24H43N11O11S 693.2864 NA PeJP NA NA +PJ017611 GGGGSTCR C24H43N11O11S 693.2865 NA PeJP NA NA +PJ017612 NNNFW C32H39N9O9 693.2871 NA PeJP NA NA +PJ017613 SDMRW C29H43N9O9S 693.2905 NA PeJP NA NA +PJ017614 SSSEER C25H43N9O14 693.293 NA PeJP NA NA +PJ017615 QEMMR C26H47N9O9S2 693.2938 NA PeJP NA NA +PJ017616 GAEMMR C26H47N9O9S2 693.2939 NA PeJP NA NA +PJ017617 ATMWW C34H43N7O7S 693.2945 NA PeJP NA NA +PJ017618 GTTTEW C30H43N7O12 693.297 NA PeJP NA NA +PJ017619 VQMMW C31H47N7O7S2 693.2979 NA PeJP NA NA +PJ017620 SQHHW C31H39N11O8 693.2983 NA PeJP NA NA +3081 hemorphin-5 YPWTQ 693.299 celiac toxic Inhouse_peptide NA peptide +PJ017621 GTKEEM C27H47N7O12S 693.3004 NA PeJP NA NA +MJ090777 Amonabactin P 693 C35H43N5O10 693.300992 NA MeJP NA NA +PJ017622 SVYYY C35H43N5O10 693.301 NA PeJP NA NA +PJ017623 GPKMMM C28H51N7O7S3 693.3012 NA PeJP NA NA +PJ017624 AAQMHH C28H43N11O8S 693.3017 NA PeJP NA NA +PJ017625 GSSSSNR C24H43N11O13 693.3042 NA PeJP NA NA +PJ017626 CEMRR C25H47N11O8S2 693.3051 NA PeJP NA NA +PJ017627 GSPDRY C29H43N9O11 693.3082 NA PeJP NA NA +PJ017628 GGGGGGGLY C29H43N9O11 693.3083 NA PeJP NA NA +PJ017629 AMMRW C30H47N9O6S2 693.3091 NA PeJP NA NA +PJ017630 GTTEMR C26H47N9O11S 693.3116 NA PeJP NA NA +PJ017631 TTTWW C34H43N7O9 693.3122 NA PeJP NA NA +PJ017632 GAPTYW C34H43N7O9 693.3123 NA PeJP NA NA +PJ017633 NMHHR C27H43N13O7S 693.3129 NA PeJP NA NA +PJ017634 GGMHHR C27H43N13O7S 693.313 NA PeJP NA NA +PJ017635 TKEMW C31H47N7O9S 693.3156 NA PeJP NA NA +PJ017636 AFFFY C39H43N5O7 693.3163 NA PeJP NA NA +PJ017637 STTKEE C27H47N7O14 693.3181 NA PeJP NA NA +PJ017638 GVKEMM C28H51N7O9S2 693.319 NA PeJP NA NA +PJ017639 NNQRY C28H43N11O10 693.3195 NA PeJP NA NA +PJ017640 SSCNKR C25H47N11O10S 693.3228 NA PeJP NA NA +PJ017641 GEFRW C33H43N9O8 693.3235 NA PeJP NA NA +PJ017642 TTMRW C30H47N9O8S 693.3268 NA PeJP NA NA +PJ017643 GAPMRY C30H47N9O8S 693.3269 NA PeJP NA NA +PJ017644 GVFWW C38H43N7O6 693.3275 NA PeJP NA NA +PJ017645 ASSSSQK C26H47N9O13 693.3293 NA PeJP NA NA +PJ017646 STTTER C26H47N9O13 693.3294 NA PeJP NA NA +PJ017647 KEMMR C27H51N9O8S2 693.3302 NA PeJP NA NA +PJ017648 GSTHHR C27H43N13O9 693.3307 NA PeJP NA NA +PJ017649 LMHFF C35H47N7O6S 693.3309 NA PeJP NA NA +7627 ACE inhibitor from k-CN (fr, 13-17) KDERF 693.3319 antioxidative Inhouse_peptide NA peptide +PJ017650 SSTTLW C31H47N7O11 693.3334 NA PeJP NA NA +PJ017651 VKMMW C32H51N7O6S2 693.3342 NA PeJP NA NA +PJ017652 SKHHW C32H43N11O7 693.3347 NA PeJP NA NA +PJ017653 TTTLQM C28H51N7O11S 693.3367 NA PeJP NA NA +PJ017654 SSLKEM C28H51N7O11S 693.3368 NA PeJP NA NA +PJ017655 PCRRY C29H47N11O7S 693.3381 NA PeJP NA NA +3337 human beta-casein fr, 50-61 HPFAQTQSLVYP 693.3385 MH2+ Inhouse_peptide NA peptide +PJ017656 FRWW C37H43N9O5 693.3387 NA PeJP NA NA +PJ017657 TMMRR C26H51N11O7S2 693.3415 NA PeJP NA NA +PJ017658 VQERY C30H47N9O10 693.3446 NA PeJP NA NA +PJ017659 SSTLMR C27H51N9O10S 693.348 NA PeJP NA NA +PJ017660 PTKYW C35H47N7O8 693.3486 NA PeJP NA NA +MJ090778 Podacycline B C35H47N7O8 693.348611 NA MeJP NA NA +PJ017661 GPVKMY C32H51N7O8S 693.352 NA PeJP NA NA +PJ017662 SSSSTLL C28H51N7O13 693.3545 NA PeJP NA NA +PJ017663 ATLKMM C29H55N7O8S2 693.3554 NA PeJP NA NA +PJ017664 AERRY C29H47N11O9 693.3558 NA PeJP NA NA +PJ017665 GGNKRY C29H47N11O9 693.3559 NA PeJP NA NA +PJ017666 GLRYW C34H47N9O7 693.3599 NA PeJP NA NA +PJ017667 PKMRY C31H51N9O7S 693.3632 NA PeJP NA NA +PJ017668 GALMFR C31H51N9O7S 693.3633 NA PeJP NA NA +PJ017669 GSSSTKK C27H51N9O12 693.3657 NA PeJP NA NA +PJ017670 GCKKKM C28H55N9O7S2 693.3666 NA PeJP NA NA +PJ017671 PEHRR C28H47N13O8 693.3671 NA PeJP NA NA +3095 splenin fragment:32-36 RKEVY 693.368 celiac toxic Inhouse_peptide NA peptide +PJ017672 AALKEY C32H51N7O10 693.3698 NA PeJP NA NA +PJ017673 PVHRW C33H47N11O6 693.3711 NA PeJP NA NA +PJ017674 TTTLKM C29H55N7O10S 693.3731 NA PeJP NA NA +PJ017675 CLFRR C30H51N11O6S 693.3745 NA PeJP NA NA +MJ090779 Splenopentin C31H51N9O9 693.380974 NA MeJP NA NA +PJ017676 VKERY C31H51N9O9 693.381 NA PeJP NA NA +PJ017677 STCKKK C28H55N9O9S 693.3844 NA PeJP NA NA +PJ017678 VVKYW C36H51N7O7 693.385 NA PeJP NA NA +PJ017679 GVLKMF C33H55N7O7S 693.3884 NA PeJP NA NA +PJ017680 SLRRY C30H51N11O8 693.3922 NA PeJP NA NA +PJ017681 GGAPKKH C30H51N11O8 693.3923 NA PeJP NA NA +PJ017682 PKFFR C35H51N9O6 693.3963 NA PeJP NA NA +PJ017683 LKMFR C32H55N9O6S 693.3996 NA PeJP NA NA +PJ017684 ASLLKY C33H55N7O9 693.4061 NA PeJP NA NA +PJ017685 GTLLKY C33H55N7O9 693.4062 NA PeJP NA NA +MJ090780 Germine; O3-(2-Hydroxy-2-methylbutanoyl), O15-(2-methylbutanoyl) C37H59NO11 693.408811 NA MeJP NA NA +MJ090781 Germine; O3-(R)-2-Hydroxy-2-methylbutanoyl, O15-(R)-2-methylbutanoyl C37H59NO11 693.408811 NA MeJP NA NA +PJ017686 QKKKY C32H55N9O8 693.4174 NA PeJP NA NA +MJ090782 Roxolonium(1+); Methylsulfate C38H63NO8S 693.427438 NA MeJP NA NA +PJ017687 GVLLHR C31H55N11O7 693.4286 NA PeJP NA NA +PJ017688 LLHRR C30H55N13O6 693.4399 NA PeJP NA NA +PJ017689 AAPPLLL C34H59N7O8 693.4425 NA PeJP NA NA +PJ017690 GPPVVLL C34H59N7O8 693.4426 NA PeJP NA NA +MJ090783 Lanost-8-ene-2,3,12,24,25-pentol, 2-[5-(Carboxymethylamino)-3-hydroxy-3-methyl-5-oxopentanoyl](S-) C38H63NO10 693.445197 NA MeJP NA NA +MJ090784 Solacongestidine; Glycoside (3) C38H63NO10 693.445197 NA MeJP NA NA +PJ017691 KKKKY C33H59N9O7 693.4538 NA PeJP NA NA +MJ090785 Spirolide B C42H63NO7 693.460453 NA MeJP NA NA +3227 Bradykinin-potentiating peptide EGGWPRPGPEIPP 693.8355 MH2+ Inhouse_peptide NA peptide +7019 synthetic peptide from alpha-gliadin LQQHNIAHGRSQ 693.84595 MH2+ Inhouse_peptide NA peptide +3194 crabolin-like from skin of frog Rana esculenta FLPAIAGILSQLF~ 693.9045 MH2+ Inhouse_peptide NA peptide +MJ090786 Pisoquinone C35H18O16 694.059484 NA MeJP NA NA +MJ090787 Guavin B C33H26O17 694.116999 NA MeJP NA NA +MJ090788 Swertipunicoside C33H26O17 694.116999 NA MeJP NA NA +FL3FAAGS0055 Apigenin 7-glucuronide-4'-(6''-malonylglucoside) C30H30O19 694.13812 89483-03-4 knapsack NA NA +MJ090789 4',5,7-Trihydroxyflavone; 4'-O-(6-O-Malonyl-?-D-glucopyranoside), 7-O-?-D-glucuronoside C30H30O19 694.138128 NA MeJP NA NA +PJ017692 CCCDDH C23H34N8O11S3 694.151 NA PeJP NA NA +PJ017693 TCCCCY C25H38N6O9S4 694.1583 NA PeJP NA NA +FL3FFAGS0006 Isoscutellarein 7-(6'''-acetylallosyl-(1->2)-6''-acetylglucoside) C31H34O18 694.17451 108706-08-7 knapsack NA NA +FL5FACGS0110 Quercetin 3-(3'',4''-diacetylrhamnosyl)-(1->6)-glucoside C31H34O18 694.17451 - knapsack NA NA +MJ090790 4',5,7,8-Tetrahydroxyflavone; 4'-O-[?-D-Mannopyranosyl-(1?2)-3,4-di-O-acetyl-?-D-glucopyranoside] C31H34O18 694.174514 NA MeJP NA NA +MJ090791 4',5,7,8-Tetrahydroxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] C31H34O18 694.174514 NA MeJP NA NA +MJ090792 Isoquercitrin; 6''-O-(3,4-Di-O-acetyl-?-L-rhamnopyranosyl) C31H34O18 694.174514 NA MeJP NA NA +MJ090793 3,3',4',5,7-Pentahydroxyflavylium(1+); 3,5-Bis-O-(6-O-acetyl-?-D-glucopyranoside) C31H35O18(+) 694.174514 NA MeJP NA NA +MJ090794 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(6-O-Succinoyl-?-D-glucopyranoside), 5-O-?-D-glucopyranoside C31H35O18(+) 694.174514 NA MeJP NA NA +PJ017694 CNNDDD C23H34N8O15S 694.1865 NA PeJP NA NA +PJ017695 SCCDMH C24H38N8O10S3 694.1873 NA PeJP NA NA +PJ017696 GCCCFY C29H38N6O8S3 694.1914 NA PeJP NA NA +PJ017697 SDDDDE C24H34N6O18 694.193 NA PeJP NA NA +PJ017698 PCDDDM C25H38N6O13S2 694.1939 NA PeJP NA NA +C06785 Dexylosylpradimicin C C34H34N2O14 694.201 NA KEGG NA NA +MJ090795 Benanomicin B; 3A-De-O-xylosyl C34H34N2O14 694.201003 NA MeJP NA NA +PJ017699 GSPCCND C24H38N8O12S2 694.2051 NA PeJP NA NA +PJ017700 ACCMMH C25H42N8O7S4 694.206 NA PeJP NA NA +PJ017701 GSCCYY C29H38N6O10S2 694.2091 NA PeJP NA NA +FL3FEAGS0038 Scutellarein 6,7,4'-trimethyl ether 5-(6'''-acetylglucosyl)(1->3)-galactoside;5-[[3-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-galactopyranosyl]oxy]-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C32H38O17 694.21089 158556-64-0 knapsack NA NA +MJ090796 5-Hydroxy-4',6,7-trimethoxyflavone; 5-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] C32H38O17 694.210899 NA MeJP NA NA +MJ090797 Justisolin; O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C32H38O17 694.210899 NA MeJP NA NA +MJ090798 Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl) C32H38O17 694.210899 NA MeJP NA NA +MJ090799 Sucrose; 3',6-Bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl) C32H38O17 694.210899 NA MeJP NA NA +MJ090800 Sucrose; 3'-O-(4-Hydroxy-3,5-dimethoxycinnamoyl)(E-), 6-O-(4-hydroxycinnamoyl)(E-) C32H38O17 694.210899 NA MeJP NA NA +PJ017702 GDDEEM C25H38N6O15S 694.2116 NA PeJP NA NA +PJ017703 CCNNNQ C23H38N10O11S2 694.2163 NA PeJP NA NA +PJ017704 GGGGGGGACC C23H38N10O11S2 694.2164 NA PeJP NA NA +PJ017705 ACCDHF C28H38N8O9S2 694.2203 NA PeJP NA NA +PJ017706 GCCEHF C28H38N8O9S2 694.2204 NA PeJP NA NA +PJ017707 SNNDDM C24H38N8O14S 694.2228 NA PeJP NA NA +PJ017708 GGSNDDM C24H38N8O14S 694.2229 NA PeJP NA NA +PJ017709 SSCMMH C25H42N8O9S3 694.2237 NA PeJP NA NA +PJ017710 DDEMW C29H38N6O12S 694.2269 NA PeJP NA NA +PJ017711 SSDEEE C25H38N6O17 694.2294 NA PeJP NA NA +PJ017712 SPDDMM C26H42N6O12S2 694.2302 NA PeJP NA NA +PJ017713 GDDDHH C26H34N10O13 694.2307 NA PeJP NA NA +MJ090801 3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether, [?-L-arabinofuranosyl-(1?3)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranosyl] ester C29H42O19 694.232029 NA MeJP NA NA +MJ090802 Tin ethyl etiopurpurin C37H42N4O2Sn 694.232973 NA MeJP NA NA +PJ017714 GSSCNNN C23H38N10O13S 694.2341 NA PeJP NA NA +PJ017715 PCCCNR C24H42N10O8S3 694.235 NA PeJP NA NA +PJ017716 CCHFW C32H38N8O6S2 694.2356 NA PeJP NA NA +PJ017717 GSCNEW C28H38N8O11S 694.2381 NA PeJP NA NA +PJ017718 GSSSNDE C24H38N8O16 694.2406 NA PeJP NA NA +FL2FALNR0002 Sanggenon G C40H38O11 694.24141 85698-31-3 knapsack NA NA +MJ090803 Kuwanon O C40H38O11 694.241412 NA MeJP NA NA +MJ090804 Sanggenone G C40H38O11 694.241412 NA MeJP NA NA +PJ017719 GNNEMM C25H42N8O11S2 694.2415 NA PeJP NA NA +PJ017720 GPDDEY C29H38N6O14 694.2446 NA PeJP NA NA +PJ017721 PPCCEF C30H42N6O9S2 694.2455 NA PeJP NA NA +PJ017722 GTEEEM C26H42N6O14S 694.248 NA PeJP NA NA +PJ017723 GPEMMM C27H46N6O9S3 694.2489 NA PeJP NA NA +PJ017724 SPCDHH C27H38N10O10S 694.2493 NA PeJP NA NA +PJ017725 GCNDMR C24H42N10O10S2 694.2527 NA PeJP NA NA +PJ017726 SCNWW C32H38N8O8S 694.2533 NA PeJP NA NA +PJ017727 GGSCWW C32H38N8O8S 694.2534 NA PeJP NA NA +PJ017728 SSSNDW C28H38N8O13 694.2559 NA PeJP NA NA +PJ017729 NNMMW C29H42N8O8S2 694.2567 NA PeJP NA NA +PJ017730 SSNQEM C25H42N8O13S 694.2592 NA PeJP NA NA +PJ017731 PDDYW C33H38N6O11 694.2599 NA PeJP NA NA +PJ017732 PCCNKM C26H46N8O8S3 694.2601 NA PeJP NA NA +PJ017733 GCNQHH C26H38N12O9S 694.2606 NA PeJP NA NA +MJ090805 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1-Cinnamoyl, 9-benzoyl, 2,8,14-tri-Ac C37H42O13 694.262541 NA MeJP NA NA +MJ090806 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 1,2,6,14-tetra-Ac C37H42O13 694.262541 NA MeJP NA NA +MJ090807 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,8-Dibenzoyl, 2,6,9,14-tetra-Ac C37H42O13 694.262541 NA MeJP NA NA +MJ090808 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, Dibenzoyl, tetra-Ac C37H42O13 694.262541 NA MeJP NA NA +MJ090809 Aquayamycin; 3'-Deoxy, 3-O-(2,3,6-trideoxy-?-D-glycero-hex-2-enopyranos-4-ulosyl), 4'-O-(2,3,6-trideoxy-L-erythro-hexopyranosyl) C37H42O13 694.262541 NA MeJP NA NA +MJ090810 Quanolirone I C37H42O13 694.262541 NA MeJP NA NA +PJ017734 TEEMW C30H42N6O11S 694.2633 NA PeJP NA NA +PJ017735 PMMMW C31H46N6O6S3 694.2641 NA PeJP NA NA +PJ017736 STTEEE C26H42N6O16 694.2657 NA PeJP NA NA +PJ017737 TTTDEE C26H42N6O16 694.2658 NA PeJP NA NA +PJ017738 GVEEMM C27H46N6O11S2 694.2666 NA PeJP NA NA +PJ017739 GNNNNY C27H38N10O12 694.2671 NA PeJP NA NA +PJ017740 CCQRW C28H42N10O7S2 694.268 NA PeJP NA NA +PJ017741 SSCNER C24H42N10O12S 694.2705 NA PeJP NA NA +PJ017742 NNDFW C32H38N8O10 694.2711 NA PeJP NA NA +PJ017743 GSSQMW C29H42N8O10S 694.2745 NA PeJP NA NA +PJ017744 GSSSTQE C25H42N8O15 694.277 NA PeJP NA NA +PJ017745 ASQQMM C26H46N8O10S2 694.2778 NA PeJP NA NA +PJ017746 EEMMR C26H46N8O10S2 694.2779 NA PeJP NA NA +PJ017747 SSNNHH C26H38N12O11 694.2783 NA PeJP NA NA +PJ017748 PDMFW C34H42N6O8S 694.2785 NA PeJP NA NA +PJ017749 GPTEEY C30H42N6O13 694.281 NA PeJP NA NA +PJ017750 VEMMW C31H46N6O8S2 694.2819 NA PeJP NA NA +PJ017751 SEHHW C31H38N10O9 694.2823 NA PeJP NA NA +MJ090811 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 2,14-bis(2-methylpropanoyl), 1,6,8-tri-Ac C34H46O15 694.28367 NA MeJP NA NA +MJ090812 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 8,14-bis(2-methylpropanoyl), 1,2,6-tri-Ac C34H46O15 694.28367 NA MeJP NA NA +MJ090813 2,8,9,11,12,14,16-Heptahydroxy-3,5-briaradien-18,7-olide, 16-Butanoyl, 2,9,11,12,14-penta-Ac C34H46O15 694.28367 NA MeJP NA NA +MJ090814 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 1,2,4,7,9,10,13-Hepta-Ac C34H46O15 694.28367 NA MeJP NA NA +MJ090815 Nomilinic acid; O-?-D-Glucopyranoside C34H46O15 694.28367 NA MeJP NA NA +PJ017752 SSLEEM C27H46N6O13S 694.2844 NA PeJP NA NA +PJ017753 SPVMMM C28H50N6O8S3 694.2853 NA PeJP NA NA +PJ017754 GSSCRW C28H42N10O9S 694.2857 NA PeJP NA NA +PJ017755 GSSSSDR C24H42N10O14 694.2882 NA PeJP NA NA +MJ090816 Pyramidaglaine A C40H42N2O9 694.28903 NA MeJP NA NA +PJ017756 GSNMMR C25H46N10O9S2 694.2891 NA PeJP NA NA +PJ017757 NMHFF C33H42N8O7S 694.2897 NA PeJP NA NA +PJ017758 GGMHFF C33H42N8O7S 694.2898 NA PeJP NA NA +PJ017759 SSSTQW C29H42N8O12 694.2922 NA PeJP NA NA +PJ017760 GGAAQEY C29H42N8O12 694.2923 NA PeJP NA NA +PJ017761 CQKMW C30H46N8O7S2 694.2931 NA PeJP NA NA +PJ017762 SSNKEM C26H46N8O12S 694.2956 NA PeJP NA NA +PJ017763 PTEYW C34H42N6O10 694.2963 NA PeJP NA NA +PJ017764 DMHHR C27H42N12O8S 694.297 NA PeJP NA NA +MJ090817 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1,2-Dibenzoyl, 9-(2-methylbutanoyl), 6,14-di-Ac C38H46O12 694.298926 NA MeJP NA NA +MJ090818 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 8-(2-methylbutanoyl), 6,14-di-Ac C38H46O12 694.298926 NA MeJP NA NA +PJ017765 GPVEMY C31H46N6O10S 694.2996 NA PeJP NA NA +PJ017766 GTCCRR C24H46N12O8S2 694.3003 NA PeJP NA NA +PJ017767 CLHHW C32H42N10O6S 694.301 NA PeJP NA NA +PJ017768 ATLEMM C28H50N6O10S2 694.303 NA PeJP NA NA +PJ017769 NNERY C28H42N10O11 694.3035 NA PeJP NA NA +PJ017770 CCKRW C29H46N10O6S2 694.3043 NA PeJP NA NA +PJ017771 QHHHH C29H38N14O7 694.3048 NA PeJP NA NA +PJ017772 SSSQMR C25H46N10O11S 694.3068 NA PeJP NA NA +PJ017773 AQQYW C33H42N8O9 694.3075 NA PeJP NA NA +PJ017774 GSSKMW C30H46N8O9S 694.3109 NA PeJP NA NA +PJ017775 GSSSTKE C26H46N8O14 694.3134 NA PeJP NA NA +PJ017776 GTQKMM C27H50N8O9S2 694.3142 NA PeJP NA NA +PJ017777 GCKKEM C27H50N8O9S2 694.3143 NA PeJP NA NA +PJ017778 GPNDHR C27H42N12O10 694.3147 NA PeJP NA NA +PJ017779 PVMYW C35H46N6O7S 694.3149 NA PeJP NA NA +PJ017780 AALEEY C31H46N6O12 694.3174 NA PeJP NA NA +PJ017781 SSSCRR C24H46N12O10S 694.3181 NA PeJP NA NA +PJ017782 GPLMMF C32H50N6O7S2 694.3183 NA PeJP NA NA +PJ017783 GNRYW C32H42N10O8 694.3187 NA PeJP NA NA +MJ090819 Anchinopeptolide A; 7,7'-Bisdemethyl C32H42N10O8 694.318708 NA MeJP NA NA +MJ090820 10-Bisfoliamenthoylcatalpol C35H50O14 694.320056 NA MeJP NA NA +MJ090821 3,14-Dihydroxy-19-oxocarda-4,20(22)-dienolide, 14-Me ether, 3-O-[?-D-glucopyranosyl-(1?4)-?-D-xylopyranoside] C35H50O14 694.320056 NA MeJP NA NA +MJ090822 Kickxioside; 5-O-(6-Hydroxy-2,6-dimethyl-2,7-octadienoyl) C35H50O14 694.320056 NA MeJP NA NA +PJ017784 TTTLEM C28H50N6O12S 694.3208 NA PeJP NA NA +MJ090823 Adociasulfate 5; 2'-Sulfate C36H54O9S2 694.320924 NA MeJP NA NA +MJ090824 Adociasulfate 6; 2'-Sulfate C36H54O9S2 694.320924 NA MeJP NA NA +MJ090825 Toxicol B; 1',4'-Disulfate C36H54O9S2 694.320924 NA MeJP NA NA +PJ017785 GLLMMM C29H54N6O7S3 694.3216 NA PeJP NA NA +PJ017786 NQMFR C29H46N10O8S 694.3221 NA PeJP NA NA +PJ017787 GSSSTTR C25H46N10O13 694.3246 NA PeJP NA NA +MJ090826 Dehydrothalicarpine C41H46N2O8 694.325416 NA MeJP NA NA +MJ090827 Thalifaberine; 6a,7-Didehydro C41H46N2O8 694.325416 NA MeJP NA NA +PJ017788 GTCKMR C26H50N10O8S2 694.3255 NA PeJP NA NA +PJ017789 SSSTKW C30H46N8O11 694.3286 NA PeJP NA NA +PJ017790 GGGPPPVD C30H46N8O11 694.3287 NA PeJP NA NA +PJ017791 CKKMW C31H50N8O6S2 694.3295 NA PeJP NA NA +PJ017792 APPHHH C31H42N12O7 694.33 NA PeJP NA NA +PJ017793 SSDKKM C27H50N8O11S 694.332 NA PeJP NA NA +PJ017794 TLEFW C35H46N6O9 694.3326 NA PeJP NA NA +PJ017795 VVEYW C35H46N6O9 694.3327 NA PeJP NA NA +PJ017796 CNFRR C28H46N12O7S 694.3333 NA PeJP NA NA +PJ017797 GGCFRR C28H46N12O7S 694.3334 NA PeJP NA NA +PJ017798 APTLMY C32H50N6O9S 694.336 NA PeJP NA NA +PJ017799 STLLMM C29H54N6O9S2 694.3394 NA PeJP NA NA +MJ090828 Asparaginylprolylthreonylasparaginylleucylhistidine C29H46N10O10 694.339837 NA MeJP NA NA +PJ017800 NDKRY C29H46N10O10 694.3399 NA PeJP NA NA +MJ090829 4(15)-Eudesmene-2,11-diol; 2?-form, 2-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside], 11-O-?-D-glucopyranoside C32H54O16 694.341185 NA MeJP NA NA +PJ017801 KHHHH C30H42N14O6 694.3412 NA PeJP NA NA +MJ090830 25-(3,5-Dihydroxyphenyl)-9,10-pentacosanediol; 16(17)-Ac, 3',5'-di-O-sulfate C33H58O11S2 694.342054 NA MeJP NA NA +MJ090831 25-(3,5-Dihydroxyphenyl)-9,10-pentacosanediol; 17(16)-Ac, 3',5'-di-O-sulfate C33H58O11S2 694.342054 NA MeJP NA NA +MJ090832 Antibiotic PF 1057A; 16'-Ac C33H58O11S2 694.342054 NA MeJP NA NA +MJ090833 Antibiotic PF 1057A; 17'-Ac C33H58O11S2 694.342054 NA MeJP NA NA +PJ017802 SSSKMR C26H50N10O10S 694.3432 NA PeJP NA NA +PJ017803 AQKYW C34H46N8O8 694.3439 NA PeJP NA NA +C08681 Elatine C38H50N2O10 694.3465 NA KEGG NA NA +MJ090834 Elatine C38H50N2O10 694.346545 NA MeJP NA NA +PJ017804 GPCKKY C31H50N8O8S 694.3473 NA PeJP NA NA +PJ017805 PVFFW C39H46N6O6 694.3479 NA PeJP NA NA +PJ017806 SSSSSLK C27H50N8O13 694.3497 NA PeJP NA NA +PJ017807 ASSTTTK C27H50N8O13 694.3498 NA PeJP NA NA +PJ017808 GTKKMM C28H54N8O8S2 694.3506 NA PeJP NA NA +PJ017809 SNRRY C28H46N12O9 694.3511 NA PeJP NA NA +PJ017810 VLMFW C36H50N6O6S 694.3513 NA PeJP NA NA +PJ017811 GTLLEY C32H50N6O11 694.3538 NA PeJP NA NA +MJ090835 2,2',3,3'-Tetrahydroxy-?,?-carotene-4,4'-dione; 4'-Deoxo, 3'-O-sulfate C40H54O8S 694.353939 NA MeJP NA NA +MJ090836 Bastaxanthol; 3'?-Alcohol, 3-O-sulfate C40H54O8S 694.353939 NA MeJP NA NA +PJ017812 PQKHW C33H46N10O7 694.3551 NA PeJP NA NA +MJ090837 2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 2,5-Bis(2-methylbutanoyl), 7,8,9-tri-Ac C36H54O13 694.356441 NA MeJP NA NA +MJ090838 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C36H54O13 694.356441 NA MeJP NA NA +MJ090839 3,14-Dihydroxybufa-20,22-dienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C36H54O13 694.356441 NA MeJP NA NA +MJ090840 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-ribo-Hexopyranos-3-ulosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] C36H54O13 694.356441 NA MeJP NA NA +MJ090841 3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-[?-D-Glucopyranoside-(1?4)-(6-deoxy-3-O-methyl-?-D-glucopyranoside)] C36H54O13 694.356441 NA MeJP NA NA +MJ090842 3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-digitaloside] C36H54O13 694.356441 NA MeJP NA NA +MJ090843 Cerleaside A; 4'-O-?-D-Glucopyranosyl C36H54O13 694.356441 NA MeJP NA NA +MJ090844 Oleagenin; 3-O-[?-D-Glucopyranosyl(1?4)-D-digitaloside] C36H54O13 694.356441 NA MeJP NA NA +MJ090845 Periforgenin A; 3-O-(2,6-Dideoxy-4-O-?-D-glucopyranosyl-3-O-methyl-?-D-ribo-hexopyranoside) C36H54O13 694.356441 NA MeJP NA NA +MJ090846 Thevetiogenin; 3-O-[?-D-Glucopyranosyl(1?4)-3-O-methyl-?-L-rhamnopyranoside] C36H54O13 694.356441 NA MeJP NA NA +MJ090847 Thevetiogenin; 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] C36H54O13 694.356441 NA MeJP NA NA +PJ017813 NKMFR C30H50N10O7S 694.3585 NA PeJP NA NA +MJ090848 Cholestane-3,6,8,15,16,24-hexol, 24-O-(3-O-Methyl-5-O-sulfo-?-D-xylofuranoside) C33H58O13S 694.359812 NA MeJP NA NA +MJ090849 Cholestane-3,6,8,15,24-pentol, 24-O-?-D-Glucopyranoside, 6-sulfate C33H58O13S 694.359812 NA MeJP NA NA +PJ017814 QKKEY C31H50N8O10 694.365 NA PeJP NA NA +PJ017815 VHHFR C32H46N12O6 694.3664 NA PeJP NA NA +PJ017816 STTKKM C28H54N8O10S 694.3684 NA PeJP NA NA +PJ017817 TLLYW C36H50N6O8 694.369 NA PeJP NA NA +MJ090850 34-Ethylhuratoxin; 26,27-Didehydro, 5,20-di-Ac C40H54O10 694.371697 NA MeJP NA NA +MJ090851 Biperezone; 12,12'-Bis(2-methylbutanoyloxy) C40H54O10 694.371697 NA MeJP NA NA +MJ090852 Biperezone; 12,12'-Bis(3-methylbutanoyloxy) C40H54O10 694.371697 NA MeJP NA NA +PJ017818 GVLLMY C33H54N6O8S 694.3724 NA PeJP NA NA +PJ017819 TQKRY C30H50N10O9 694.3762 NA PeJP NA NA +MJ090853 Glycocinnaspermicidin A; 4'-O-Deglycosyl C30H50N10O9 694.376223 NA MeJP NA NA +PJ017820 GATKRY C30H50N10O9 694.3763 NA PeJP NA NA +MJ090854 1,2-Di-O-acylglycerols; Glycerol 1-dodecanoate 2-(3Z-hexenoate), 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] C33H58O15 694.377571 NA MeJP NA NA +PJ017821 AKKYW C35H50N8O7 694.3803 NA PeJP NA NA +MJ090855 15-Bromo-4(19),9(11)-neopargueradiene-2,3,7,16-tetrol, 2-Ac, 3-O-palmitoyl C38H63BrO6 694.380802 NA MeJP NA NA +PJ017822 LLMRY C32H54N8O7S 694.3836 NA PeJP NA NA +PJ017823 AAKKMF C32H54N8O7S 694.3837 NA PeJP NA NA +PJ017824 GPTKHR C29H50N12O8 694.3875 NA PeJP NA NA +PJ017825 SSLLLY C33H54N6O10 694.3902 NA PeJP NA NA +PJ017826 PKKHW C34H50N10O6 694.3915 NA PeJP NA NA +MJ090856 2,3,19-Trihydroxy-12-ursene-23,28-dioic acid, 28-O-(6-O-Methyl-?-D-glucopyranosyl) ester C37H58O12 694.392827 NA MeJP NA NA +MJ090857 2,3,19-Trihydroxy-12-ursene-24,28-dioic acid, 28-O-(3-O-Methyl-?-D-glucopyranosyl) ester C37H58O12 694.392827 NA MeJP NA NA +MJ090858 2,3,19-Trihydroxy-12-ursene-24,28-dioic acid, 28-O-(6-O-Methyl-?-D-glucopyranosyl) ester C37H58O12 694.392827 NA MeJP NA NA +MJ090859 3,11,12,14-Tetrahydroxypregn-5-en-20-one, 11-Ac, 3-O-[2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside] C37H58O12 694.392827 NA MeJP NA NA +MJ090860 3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranoside] C37H58O12 694.392827 NA MeJP NA NA +PJ017827 VQHRR C28H50N14O7 694.3987 NA PeJP NA NA +PJ017828 KKKEY C32H54N8O9 694.4014 NA PeJP NA NA +PJ017829 GVLLFF C37H54N6O7 694.4054 NA PeJP NA NA +MJ090861 Melianin A C41H58O9 694.408083 NA MeJP NA NA +MJ090862 Melianin B C41H58O9 694.408083 NA MeJP NA NA +MJ090863 Hazuntamine C42H54N4O5 694.40942 NA MeJP NA NA +PJ017830 AHRRR C27H50N16O6 694.41 NA PeJP NA NA +PJ017831 TKKRY C31H54N10O8 694.4126 NA PeJP NA NA +PJ017832 GGPPVLR C31H54N10O8 694.4127 NA PeJP NA NA +PJ017833 LLFFR C36H54N8O6 694.4167 NA PeJP NA NA +PJ017834 GPPLRR C30H54N12O7 694.4239 NA PeJP NA NA +MJ090864 16,23-Epoxycycloartane-3,15,16,24,25-pentol, 25-Me ether, 24-Ac, 3-O-?-D-xylopyranoside C38H62O11 694.429212 NA MeJP NA NA +MJ090865 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2-O-Acetyl-?-D-glucopyranoside) C38H62O11 694.429212 NA MeJP NA NA +MJ090866 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(3-O-Acetyl-?-D-glucopyranoside) C38H62O11 694.429212 NA MeJP NA NA +MJ090867 20,24-Epoxycycloartane-3,6,16,25-tetrol, 6-Ac, 3-O-?-D-glucopyranoside C38H62O11 694.429212 NA MeJP NA NA +MJ090868 Cumingianoside G; 3-Ketone, 6'-Ac C38H62O11 694.429212 NA MeJP NA NA +PJ017835 VKHRR C29H54N14O6 694.4351 NA PeJP NA NA +PJ017836 SLLLLH C33H58N8O8 694.4378 NA PeJP NA NA +MJ090869 Edeine; Edeine D, Decarboxy C32H58N10O7 694.448994 NA MeJP NA NA +PJ017837 PPVVKR C32H58N10O7 694.449 NA PeJP NA NA +PJ017838 PPLLKK C34H62N8O7 694.4742 NA PeJP NA NA +HMDB07411 DG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C45H74O5 694.55365 NA HMDB2010 NA NA +HMDB07438 DG(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C45H74O5 694.55365 NA HMDB2010 NA NA +HMDB07439 DG(20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C45H74O5 694.55365 NA HMDB2010 NA NA +HMDB07466 DG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C45H74O5 694.55365 NA HMDB2010 NA NA +HMDB07495 DG(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C45H74O5 694.55365 NA HMDB2010 NA NA +HMDB07581 DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/0:0) C45H74O5 694.55365 NA HMDB2010 NA NA +HMDB07665 DG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C45H74O5 694.55365 NA HMDB2010 NA NA +HMDB07690 DG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/0:0) C45H74O5 694.55365 NA HMDB2010 NA NA +HMDB07691 DG(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)/0:0) C45H74O5 694.55365 NA HMDB2010 NA NA +HMDB07718 DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z)/0:0) C45H74O5 694.55365 NA HMDB2010 NA NA +HMDB07747 DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)/0:0) C45H74O5 694.55365 NA HMDB2010 NA NA +HMDB07775 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/0:0) C45H74O5 694.55365 NA HMDB2010 NA NA +MJ090870 3-Hydroxy-12-oleanen-28-oic acid, 3-Hexadecanoyl C46H78O4 694.59001 NA MeJP NA NA +MJ090871 Glycerol trialkanoates (diacid, unsymmetrical); Glycerol 1,2-ditetradecanoate 3-dodecanoate C43H82O6 694.61114 NA MeJP NA NA +MJ090872 3-Friedelanol, Octadecanoyl C48H86O2 694.662781 NA MeJP NA NA +PJ017839 CCCCQH C23H37N9O8S4 695.1648 NA PeJP NA NA +PJ017840 CNDDDD C23H33N7O16S 695.1705 NA PeJP NA NA +FL7AAAGL0026 Pelargonidin 3-(6''-succinylglucoside)-5-glucoside C31H35O18 695.18233 - knapsack NA NA +FL7AACGL0045 Cyanidin 3,5-di-(6-acetylglucoside) C31H35O18 695.18233 161992-98-9 knapsack NA NA +PJ017841 GSSCCCH C23H37N9O10S3 695.1826 NA PeJP NA NA +C06787 Dexylosylbenanomicin A C34H33NO15 695.185 NA KEGG NA NA +MJ090873 Benanomicin A; 3A-De-O-xylosyl C34H33NO15 695.185019 NA MeJP NA NA +PJ017842 GSPCCDD C24H37N7O13S2 695.1891 NA PeJP NA NA +PJ017843 APPCCCC C25H41N7O8S4 695.19 NA PeJP NA NA +PJ017844 CCNNNE C23H37N9O12S2 695.2003 NA PeJP NA NA +PJ017845 GGGGCCNE C23H37N9O12S2 695.2004 NA PeJP NA NA +PJ017846 CCCCKH C24H41N9O7S4 695.2012 NA PeJP NA NA +PJ017847 SNDDDM C24H37N7O15S 695.2069 NA PeJP NA NA +PJ017848 PCCNEM C25H41N7O10S3 695.2077 NA PeJP NA NA +PJ017849 GCCNNW C27H37N9O9S2 695.2156 NA PeJP NA NA +PJ017850 GSSCNND C23H37N9O14S 695.2181 NA PeJP NA NA +PJ017851 PCCCDR C24H41N9O9S3 695.219 NA PeJP NA NA +PJ017852 GSCDEW C28H37N7O12S 695.2221 NA PeJP NA NA +PJ017853 GPCCMW C29H41N7O7S3 695.223 NA PeJP NA NA +PJ017854 GSSSDDE C24H37N7O17 695.2246 NA PeJP NA NA +PJ017855 GNDEMM C25H41N7O12S2 695.2255 NA PeJP NA NA +PJ017856 GCDDMR C24H41N9O11S2 695.2367 NA PeJP NA NA +PJ017857 SCDWW C32H37N7O9S 695.2374 NA PeJP NA NA +PJ017858 SSSDDW C28H37N7O14 695.2399 NA PeJP NA NA +PJ017859 NDMMW C29H41N7O9S2 695.2407 NA PeJP NA NA +PJ017860 GGDMMW C29H41N7O9S2 695.2408 NA PeJP NA NA +PJ017861 SSNEEM C25H41N7O14S 695.2432 NA PeJP NA NA +PJ017862 GGSSEEM C25H41N7O14S 695.2433 NA PeJP NA NA +PJ017863 SPCQMM C26H45N7O9S3 695.2441 NA PeJP NA NA +PJ017864 GCNEHH C26H37N11O10S 695.2446 NA PeJP NA NA +PJ017865 SCCNNR C23H41N11O10S2 695.2479 NA PeJP NA NA +PJ017866 GGSCCNR C23H41N11O10S2 695.248 NA PeJP NA NA +PJ017867 GNNNDY C27H37N9O13 695.2511 NA PeJP NA NA +PJ017868 CCERW C28H41N9O8S2 695.252 NA PeJP NA NA +PJ017869 SSCDER C24H41N9O13S 695.2545 NA PeJP NA NA +PJ017870 NDDFW C32H37N7O11 695.2551 NA PeJP NA NA +MetaCyc04060 curcumin 4'-O-β-D-gentiobioside [] C33H43O16 695.25511 NA metacyc NA NA +MetaCyc04061 curcumin diglucoside [] C33H43O16 695.25511 NA metacyc NA NA +PJ017871 SPCCMR C25H45N9O8S3 695.2553 NA PeJP NA NA +MJ090874 Preulicyclamide C33H41N7O6S2 695.255973 NA MeJP NA NA +PJ017872 ACMWW C33H41N7O6S2 695.256 NA PeJP NA NA +MJ090875 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 3-Pyridinecarbonyl, benzoyl, tetra-Ac C36H41NO13 695.25779 NA MeJP NA NA +PJ017873 GSSEMW C29H41N7O11S 695.2585 NA PeJP NA NA +PJ017874 MMMHF C30H45N7O6S3 695.2594 NA PeJP NA NA +PJ017875 CNHHW C30H37N11O7S 695.2598 NA PeJP NA NA +PJ017876 GGCHHW C30H37N11O7S 695.2599 NA PeJP NA NA +PJ017877 GSSSTEE C25H41N7O16 695.261 NA PeJP NA NA +PJ017878 GTQEMM C26H45N7O11S2 695.2619 NA PeJP NA NA +PJ017879 SSNDHH C26H37N11O12 695.2623 NA PeJP NA NA +PJ017880 GGSSDHH C26H37N11O12 695.2624 NA PeJP NA NA +PJ017881 GMYYY C34H41N5O9S 695.2625 NA PeJP NA NA +PJ017882 GNNNMF C28H41N9O10S 695.2697 NA PeJP NA NA +PJ017883 GGGGGNMF C28H41N9O10S 695.2698 NA PeJP NA NA +PJ017884 SSSSSNQ C24H41N9O15 695.2722 NA PeJP NA NA +PJ017885 GSDMMR C25H45N9O10S2 695.2731 NA PeJP NA NA +PJ017886 SSMWW C33H41N7O8S 695.2737 NA PeJP NA NA +PJ017887 GAPCYW C33H41N7O8S 695.2738 NA PeJP NA NA +PJ017888 SSSTEW C29H41N7O13 695.2763 NA PeJP NA NA +PJ017889 TQMMW C30H45N7O8S2 695.2771 NA PeJP NA NA +PJ017890 SSDKEM C26H45N7O13S 695.2796 NA PeJP NA NA +PJ017891 STYYY C34H41N5O11 695.2803 NA PeJP NA NA +PJ017892 GVQMMM C27H49N7O8S3 695.2805 NA PeJP NA NA +PJ017893 GSQMHH C27H41N11O9S 695.281 NA PeJP NA NA +PJ017894 GPPCHW C32H41N9O7S 695.285 NA PeJP NA NA +MJ090876 N2-[N-[N-Acetyl-4-O-[2-(acetylamino)-2-deoxy-?-D-glucopyranosyl]muramoyl]-L-alanyl]-D-?-glutamine C27H45N5O16 695.28613 NA MeJP NA NA +PJ017895 NDERY C28H41N9O12 695.2875 NA PeJP NA NA +PJ017896 TCMRW C29H45N9O7S2 695.2884 NA PeJP NA NA +PJ017897 EHHHH C29H37N13O8 695.2888 NA PeJP NA NA +PJ017898 SSSEMR C25H45N9O12S 695.2909 NA PeJP NA NA +PJ017899 AQEYW C33H41N7O10 695.2915 NA PeJP NA NA +PJ017900 QMMMR C26H49N9O7S3 695.2917 NA PeJP NA NA +PJ017901 GSCHHR C26H41N13O8S 695.2922 NA PeJP NA NA +MJ090877 Rifamycin S C37H45NO12 695.294175 NA MeJP NA NA +C14540 Rifamycin S C37H45NO12 695.2942 NA KEGG NA NA +PJ017902 GTTTMW C30H45N7O10S 695.2949 NA PeJP NA NA +PJ017903 GFFYY C38H41N5O8 695.2955 NA PeJP NA NA +PJ017904 SSSSSLE C26H45N7O15 695.2974 NA PeJP NA NA +PJ017905 SSLQMM C27H49N7O10S2 695.2982 NA PeJP NA NA +PJ017906 GTKEMM C27H49N7O10S2 695.2983 NA PeJP NA NA +PJ017907 GPDDHR C27H41N11O11 695.2987 NA PeJP NA NA +PJ017908 GGGGGGPTH C27H41N11O11 695.2988 NA PeJP NA NA +PJ017909 GDRYW C32H41N9O9 695.3027 NA PeJP NA NA +PJ017910 GAPEHW C32H41N9O9 695.3028 NA PeJP NA NA +PJ017911 CMMRR C25H49N11O6S3 695.303 NA PeJP NA NA +PJ017912 GPTCRY C29H45N9O9S 695.3061 NA PeJP NA NA +PJ017913 AAYWW C37H41N7O7 695.3068 NA PeJP NA NA +PJ017914 SSSSSNK C25H45N9O14 695.3086 NA PeJP NA NA +PJ017915 GTTMMR C26H49N9O9S2 695.3095 NA PeJP NA NA +PJ017916 PCKYW C34H45N7O7S 695.3101 NA PeJP NA NA +PJ017917 GGVMFW C34H45N7O7S 695.3102 NA PeJP NA NA +PJ017918 STTTTW C30H45N7O12 695.3126 NA PeJP NA NA +PJ017919 GAKEEY C30H45N7O12 695.3127 NA PeJP NA NA +PJ017920 TKMMW C31H49N7O7S2 695.3135 NA PeJP NA NA +PJ017921 QQHHF C31H41N11O8 695.314 NA PeJP NA NA +3509 ACE inhibitor (b-Lg 15-20) VAGTWY 695.315 ACE inhibitor Inhouse_peptide NA peptide +4014 f(15-20) of bovine b-lactoglobulin VAGTWY 695.315 antifungal Inhouse_peptide NA peptide +PJ017922 STTKEM C27H49N7O12S 695.316 NA PeJP NA NA +PJ017923 GVKMMM C28H53N7O7S3 695.3169 NA PeJP NA NA +PJ017924 CDFRR C28H45N11O8S 695.3174 NA PeJP NA NA +PJ017925 APHWW C36H41N9O6 695.318 NA PeJP NA NA +PJ017926 GMFRW C33H45N9O6S 695.3214 NA PeJP NA NA +PJ017927 TQERY C29H45N9O11 695.3239 NA PeJP NA NA +PJ017928 STTTMR C26H49N9O11S 695.3272 NA PeJP NA NA +PJ017929 AKEYW C34H45N7O9 695.3279 NA PeJP NA NA +PJ017930 KMMMR C27H53N9O6S3 695.3281 NA PeJP NA NA +PJ017931 GPTKMY C31H49N7O9S 695.3313 NA PeJP NA NA +PJ017932 SSSTTTL C27H49N7O14 695.3338 NA PeJP NA NA +PJ017933 SSLKMM C28H53N7O9S2 695.3346 NA PeJP NA NA +PJ017934 SDRRY C28H45N11O10 695.3351 NA PeJP NA NA +PJ017935 ATRYW C33H45N9O8 695.3391 NA PeJP NA NA +PJ017936 GAAPPHF C33H45N9O8 695.3392 NA PeJP NA NA +PJ017937 VQMRY C30H49N9O8S 695.3425 NA PeJP NA NA +PJ017938 VHFFF C38H45N7O6 695.3432 NA PeJP NA NA +PJ017939 SCCKKK C27H53N9O8S2 695.3459 NA PeJP NA NA +PJ017940 QQQHR C27H45N13O9 695.3463 NA PeJP NA NA +PJ017941 GAQQHR C27H45N13O9 695.3464 NA PeJP NA NA +PJ017942 CLKFW C35H49N7O6S 695.3465 NA PeJP NA NA +PJ017943 KKEEY C31H49N7O11 695.349 NA PeJP NA NA +PJ017944 PTHRW C32H45N11O7 695.3504 NA PeJP NA NA +MJ090878 Tetramycin A C35H53NO13 695.35169 NA MeJP NA NA +PJ017945 AMRRY C29H49N11O7S 695.3537 NA PeJP NA NA +PJ017946 GPVMHR C29H49N11O7S 695.3538 NA PeJP NA NA +PJ017947 NNHRR C26H45N15O8 695.3576 NA PeJP NA NA +PJ017948 TKERY C30H49N9O10 695.3603 NA PeJP NA NA +PJ017949 SLKYW C35H49N7O8 695.3643 NA PeJP NA NA +2933 NA RSSCFGGRIDRIGAC 695.36495 MH2+ Inhouse_peptide NA peptide +PJ017950 PMHRR C28H49N13O6S 695.365 NA PeJP NA NA +MJ090879 4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-(3-Dimethylamino-3-phenylpropanoyl)(R-), 2,9,10,13-tetra-Ac C39H53NO10 695.366946 NA MeJP NA NA +MJ090880 4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-(3-Dimethylamino-3-phenylpropanoyl), 7,9,10,13-tetra-Ac C39H53NO10 695.366946 NA MeJP NA NA +PJ017951 AALKMY C32H53N7O8S 695.3677 NA PeJP NA NA +MJ090881 Jubanine A C40H49N5O6 695.368284 NA MeJP NA NA +PJ017952 TTRRY C29H49N11O9 695.3715 NA PeJP NA NA +PJ017953 LLQHW C34H49N9O7 695.3755 NA PeJP NA NA +MJ090882 3,14,19-Trihydroxybufa-20,22-dienolide, 3-Suberoyl-L-histidine ester C38H53N3O9 695.37818 NA MeJP NA NA +PJ017954 VKMRY C31H53N9O7S 695.3789 NA PeJP NA NA +MJ090883 Nodulosporic acid A1 C43H53NO7 695.382203 NA MeJP NA NA +PJ017955 VEHRR C28H49N13O8 695.3827 NA PeJP NA NA +PJ017956 GGGPPRR C28H49N13O8 695.3828 NA PeJP NA NA +PJ017957 ATTLKY C32H53N7O10 695.3854 NA PeJP NA NA +PJ017958 VVHRW C33H49N11O6 695.3868 NA PeJP NA NA +PJ017959 SVLLQH C31H53N9O9 695.3966 NA PeJP NA NA +PJ017960 PPVVER C31H53N9O9 695.3967 NA PeJP NA NA +PJ017961 APPLLW C36H53N7O7 695.4007 NA PeJP NA NA +PJ017962 GTLLHR C30H53N11O8 695.4079 NA PeJP NA NA +PJ017963 LLKHW C35H53N9O6 695.4119 NA PeJP NA NA +PJ017964 QKKHR C29H53N13O7 695.4191 NA PeJP NA NA +PJ017965 PPLLKE C33H57N7O9 695.4218 NA PeJP NA NA +MJ090884 Mycinamycin VI; 2'',3''-Di-Me ether C37H61NO11 695.424461 NA MeJP NA NA +MJ090885 N'-(6-Methoxy-4-quinolinyl)-N,N-dimethyl-1,2-ethanediamine; Compd. with 6-[(diethylamino)carbonyl]-3-cyclohexene-1-carboxylic acid (1:2) C38H57N5O7 695.425799 NA MeJP NA NA +PJ017966 PPTLLR C32H57N9O8 695.433 NA PeJP NA NA +PJ017967 APPKKR C31H57N11O7 695.4443 NA PeJP NA NA +PJ017968 KKKHR C30H57N13O6 695.4555 NA PeJP NA NA +3882 temporin B LLPIVGNLLKSLL~ 695.45695 MH2+ Inhouse_peptide NA peptide +3896 temporin K LLPVIGNLLKSLL~ 695.45695 MH2+ Inhouse_peptide NA peptide +PJ017969 PLLLLQ C34H61N7O8 695.4582 NA PeJP NA NA +PJ017970 PVVLLR C33H61N9O7 695.4694 NA PeJP NA NA +HMDB09213 PE(18:4(6Z,9Z,12Z,15Z)/P-16:0) C39H70NO7P 695.489014 NA HMDB2010 NA NA +HMDB11346 PE(P-16:0/18:4(6Z,9Z,12Z,15Z)) C39H70NO7P 695.489014 NA HMDB2010 NA NA +PJ017971 PLLLLK C35H65N7O7 695.4946 NA PeJP NA NA +MJ090886 Halyminine C43H85NO5 695.642774 NA MeJP NA NA +7001 synthetic peptide from alpha-gliadin QLQPQNPSQQQP 695.83145 MH2+ Inhouse_peptide NA peptide +MJ090887 Ageliferin; 2-Bromo C22H23Br3N10O2 695.955557 NA MeJP NA NA +C14078 Congo red C32H22N6O6S2 696.0838 NA KEGG NA NA +MJ090888 Chaetocin C30H28N6O6S4 696.095315 NA MeJP NA NA +MJ090889 Melinacidin II C30H28N6O6S4 696.095315 NA MeJP NA NA +MJ090890 Verticillin A C30H28N6O6S4 696.095315 NA MeJP NA NA +PJ017972 CCCCCY C24H36N6O8S5 696.1198 NA PeJP NA NA +MJ090891 3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone; 2''-(3,4,5-Trihydroxybenzoyl), 6''-(4-hydroxybenzoyl) C33H28O17 696.132649 NA MeJP NA NA +MJ090892 3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone; 6''-(3,4,5-Trihydroxybenzoyl), 2''-(p-hydroxybenzoyl) C33H28O17 696.132649 NA MeJP NA NA +PJ017973 CCCCEH C23H36N8O9S4 696.1488 NA PeJP NA NA +FL5FAAGL0084 Kaempferol 3-(6''-malonylglucoside)-7-glucoside C30H32O19 696.15377 152503-08-7 knapsack NA NA +FL5FACGL0065 Quercetin 3-(6''-malonylglucoside)-7-rhamnoside C30H32O19 696.15377 162856-73-7 knapsack NA NA +FL5FACGS0100 Quercetin 3-(6''-malonylneohesperidoside);Quercetin 3-O-(2''-O-alpha-rhamnosyl-6''-O-malonyl)-beta-glucoside;3-[[6-O-(carboxyacetyl)-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C30H32O19 696.15377 528606-93-1 knapsack NA NA +MJ090893 Populnin; 3-O-(6-O-Malonyl-?-D-glucopyranoside) C30H32O19 696.153778 NA MeJP NA NA +MJ090894 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside), 5-O-?-D-glucopyranoside C30H33O19(+) 696.153778 NA MeJP NA NA +PJ017974 CDDDDD C23H32N6O17S 696.1545 NA PeJP NA NA +MJ090895 Betanidin; 6-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] (?) C33H32N2O15 696.180268 NA MeJP NA NA +MJ090896 Julichrome Q1.2 C38H32O13 696.184291 NA MeJP NA NA +PJ017975 CCNNDE C23H36N8O13S2 696.1844 NA PeJP NA NA +PJ017976 TCCCMH C24H40N8O8S4 696.1852 NA PeJP NA NA +FL3FAADS0009 Isomollupentin 7-O-glucoside-2''-O-xyloside C31H36O18 696.19016 89708-28-1 knapsack NA NA +FL3FAADS0010 Isomollupentin 7-O-glucoside-2''-O-arabinoside C31H36O18 696.19016 89648-71-5 knapsack NA NA +FL3FAADS0035 Isovitexin 7-O-xyloside 2''-O-arabinoside C31H36O18 696.19016 - knapsack NA NA +FL5FAAGS0039 Kaempferol 3-apiosyl-(1->2)-alpha-L-arabinofuranoside-7-rhamnoside C31H36O18 696.19016 89946-01-0 knapsack NA NA +FL5FFCGS0023 Haploside C C31H36O18 696.19016 108279-04-5 knapsack NA NA +MJ090897 3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] C31H36O18 696.190164 NA MeJP NA NA +MJ090898 Isomollupentin; 7-O-?-D-Glucopyranoside, 2''-O-?-D-xylopyranoside C31H36O18 696.190164 NA MeJP NA NA +MJ090899 Isomollupentin; 7-O-?-D-Glucopyranoside, 2''-O-?-L-arabinopyranoside C31H36O18 696.190164 NA MeJP NA NA +MJ090900 Isovitexin; 2''-O-Arabinosyl, 7-O-xyloside C31H36O18 696.190164 NA MeJP NA NA +MJ090901 ?-Rhamnoisorobin; 3-O-[?-D-Apiofuranosyl-(1?2)-?-L-arabinofuranoside] C31H36O18 696.190164 NA MeJP NA NA +MJ090902 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-(6-O-Acetyl-?-D-glucopyranoside), 5-O-?-D-glucopyranoside C31H37O18(+) 696.190164 NA MeJP NA NA +MJ090903 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-acetyl-?-D-glucopyranoside) C31H37O18(+) 696.190164 NA MeJP NA NA +PJ017977 SDDDDM C24H36N6O16S 696.1909 NA PeJP NA NA +PJ017978 PCCDEM C25H40N6O11S3 696.1918 NA PeJP NA NA +MJ090904 Gnetin E; 3''-Hydroxy C42H32O10 696.199547 NA MeJP NA NA +MJ090905 Vitisin E; 8?-Hydroxy C42H32O10 696.199547 NA MeJP NA NA +PJ017979 GCCNDW C27H36N8O10S2 696.1996 NA PeJP NA NA +PJ017980 GSSCNDD C23H36N8O15S 696.2021 NA PeJP NA NA +PJ017981 GSPCCCQ C24H40N8O10S3 696.203 NA PeJP NA NA +MJ090906 2',4,4'-Trihydroxychalcone; 4-O-[4-Hydroxycinnamoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C35H36O15 696.20542 NA MeJP NA NA +MJ090907 4',7-Dihydroxyflavanone, 4'-O-[4-Hydroxycinnamoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C35H36O15 696.20542 NA MeJP NA NA +FL1C1AGS0009 Isoliquiritigenin 4-O-(5'''-O-p-coumaroyl)-apiofuranosyl-(1'''->2''')-glucoside;4,2',4'-Trihydroxychalcone 4-O-(5'''-O-p-coumaroyl)-apiofuranosyl-(1'''->2''')-glucoside C35H36O15 696.20542 202657-29-2 knapsack NA NA +FL2F1AGS0008 Licorice glycoside D1;(2R)-7,4'-Dihydroxyflavanone 4'-[4-p-coumaroylapiosyl-(1->2)-glucoside] C35H36O15 696.20542 202657-63-4 knapsack NA NA +FL2F1AGS0009 Licorice glycoside D2;(2S)-7,4'-Dihydroxyflavanone 4'-[4-p-coumaroylapiosyl-(1->2)-glucoside] C35H36O15 696.20542 202657-65-6 knapsack NA NA +MJ090908 Chlorobiocin C35H37ClN2O11 696.208587 NA MeJP NA NA +C12032 Clorobiocin C35H37ClN2O11 696.2086 NA KEGG NA NA +PJ017982 GDDEMM C25H40N6O13S2 696.2095 NA PeJP NA NA +MJ090909 Cyclo[isoleucylvalyl-2-[2-[2''-(aminomethyl)[2,4':2',4''-teroxazol]-4-yl]-4-thiazolyl]-5-phenyl-4-oxazolecarbonyl] C34H32N8O7S 696.211466 NA MeJP NA NA +PJ017983 GCCMHF C28H40N8O7S3 696.2182 NA PeJP NA NA +PJ017984 SCNNEM C24H40N8O12S2 696.2207 NA PeJP NA NA +PJ017985 GGGGSCEM C24H40N8O12S2 696.2208 NA PeJP NA NA +PJ017986 GDDDEF C28H36N6O15 696.2239 NA PeJP NA NA +PJ017987 DDMMW C29H40N6O10S2 696.2248 NA PeJP NA NA +FL5FECGS0037 Artemetin 5-glucosyl-(1->4)-rhamnoside C32H40O17 696.22654 73815-14-2 knapsack NA NA +MJ090910 10-Hydroxyaloin, 1''-O-(3-?-D-Glucopyranosyloxy-2-methylbutanoyl)(2R,3S-) C32H40O17 696.226549 NA MeJP NA NA +MJ090911 3,4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavone; 3'',7-Di-O-?-D-glucopyranoside C32H40O17 696.226549 NA MeJP NA NA +MJ090912 Catalpol; 6-O-[4-Hydroxy-E-cinnamoyl-(?4)-2-O-acetyl-?-L-rhamnopyranoside] C32H40O17 696.226549 NA MeJP NA NA +MJ090913 Catalpol; 6-O-[4-Hydroxy-E-cinnamoyl-(?4)-3-O-acetyl-?-L-rhamnopyranoside] C32H40O17 696.226549 NA MeJP NA NA +MJ090914 Geniposidic acid; 6'-O-[4-Hydroxy-Z-cinnamoyl-(?6)-?-D-glucopyranosyl], Me ester C32H40O17 696.226549 NA MeJP NA NA +PJ017988 SSDEEM C25H40N6O15S 696.2273 NA PeJP NA NA +PJ017989 SPCEMM C26H44N6O10S3 696.2281 NA PeJP NA NA +PJ017990 GCDEHH C26H36N10O11S 696.2286 NA PeJP NA NA +PJ017991 SCCNDR C23H40N10O11S2 696.232 NA PeJP NA NA +PJ017992 GNNDDY C27H36N8O14 696.2351 NA PeJP NA NA +PJ017993 GSCNMW C28H40N8O9S2 696.236 NA PeJP NA NA +PJ017994 GSSSNDM C24H40N8O14S 696.2385 NA PeJP NA NA +PJ017995 DDDFW C32H36N6O12 696.2391 NA PeJP NA NA +PJ017996 GNNMMM C25H44N8O9S3 696.2394 NA PeJP NA NA +PJ017997 GPDDMY C29H40N6O12S 696.2425 NA PeJP NA NA +PJ017998 PPCCMF C30H44N6O7S3 696.2434 NA PeJP NA NA +PJ017999 CDHHW C30H36N10O8S 696.2439 NA PeJP NA NA +MJ090915 N-[5-[[(3-Amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-4-[[[4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1-methyl-1H-pyrrole-2-carboxamide C32H38Cl2N10O4 696.245455 NA MeJP NA NA +PJ018000 GTEEMM C26H44N6O12S2 696.2459 NA PeJP NA NA +PJ018001 SSDDHH C26H36N10O13 696.2464 NA PeJP NA NA +PJ018002 GPMMMM C27H48N6O7S4 696.2468 NA PeJP NA NA +PJ018003 PTCCHH C27H40N10O8S2 696.2472 NA PeJP NA NA +MJ090916 Sinapyl alcohol, 1-O-?-D-Glucopyranoside, 4'-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C29H44O19 696.247679 NA MeJP NA NA +PJ018004 GCCQMR C24H44N10O8S3 696.2506 NA PeJP NA NA +PJ018005 SSSCQW C28H40N8O11S 696.2537 NA PeJP NA NA +PJ018006 GGSSTCW C28H40N8O11S 696.2538 NA PeJP NA NA +PJ018007 SSSSSNE C24H40N8O16 696.2562 NA PeJP NA NA +PJ018008 GGSSSSTD C24H40N8O16 696.2563 NA PeJP NA NA +PJ018009 SSNQMM C25H44N8O11S2 696.2571 NA PeJP NA NA +PJ018010 PCEYW C33H40N6O9S 696.2578 NA PeJP NA NA +PJ018011 QEEEY C29H40N6O14 696.2603 NA PeJP NA NA +PJ018012 TEMMW C30H44N6O9S2 696.2611 NA PeJP NA NA +PJ018013 GPDMMF C30H44N6O9S2 696.2612 NA PeJP NA NA +PJ018014 GCCCRR C23H44N12O7S3 696.2618 NA PeJP NA NA +MJ090917 Arctigenin, O-?-Gentiobioside C33H44O16 696.262935 NA MeJP NA NA +PJ018015 STTEEM C26H44N6O14S 696.2636 NA PeJP NA NA +PJ018016 GVEMMM C27H48N6O9S3 696.2645 NA PeJP NA NA +PJ018017 GSEMHH C27H40N10O10S 696.265 NA PeJP NA NA +PJ018018 SSCNMR C24H44N10O10S2 696.2683 NA PeJP NA NA +PJ018019 GGSSCMR C24H44N10O10S2 696.2684 NA PeJP NA NA +PJ018020 CNQFW C32H40N8O8S 696.269 NA PeJP NA NA +PJ018021 GSSSSSW C28H40N8O13 696.2715 NA PeJP NA NA +FL1DA9NC0015 2',4'-Dihydroxy-6'-methoxy-3'-(2-hydroxybenzyl)-5'-(3 x 2-hydroxybenzyl)dihydrochalcone C44H40O8 696.27231 192222-56-3 knapsack NA NA +MJ090918 5'''-[3-(2-Hydroxybenzyl)-2-hydroxybenzyl]isodiuvaretin C44H40O8 696.272318 NA MeJP NA NA +MJ090919 5''-[5-(2-Hydroxybenzyl)-2-hydroxybenzyl]diuvaretin C44H40O8 696.272318 NA MeJP NA NA +PJ018022 GTCCKW C29H44N8O8S2 696.2724 NA PeJP NA NA +MJ090920 3-[[6-[[[4-(1,1-Dimethylethyl)phenyl]sulfonyl]amino]-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]oxy]-N-[2-(1-methylethyl)phenyl]propanamide C37H40N6O6S 696.273003 NA MeJP NA NA +PJ018023 GSSSTQM C25H44N8O13S 696.2749 NA PeJP NA NA +PJ018024 AEEYW C33H40N6O11 696.2755 NA PeJP NA NA +PJ018025 EMMMR C26H48N8O8S3 696.2757 NA PeJP NA NA +PJ018026 GCQKMM C26H48N8O8S3 696.2758 NA PeJP NA NA +MJ090921 12,17-Epoxy-2,5,7,9,10,11-hexahydroxy-4(20)-taxen-13-one; 5-Cinnamoyl, 2,7,9,10-tetra-Ac C37H44O13 696.278191 NA MeJP NA NA +MJ090922 Meliacarpinin; 11-Methoxy, 1-cinnamoyl C37H44O13 696.278191 NA MeJP NA NA +MJ090923 Urdamycin B C37H44O13 696.278191 NA MeJP NA NA +C12406 Urdamycin B C37H44O13 696.2782 NA KEGG NA NA +PJ018027 GPTEMY C30H44N6O11S 696.2789 NA PeJP NA NA +PJ018028 VMMMW C31H48N6O6S3 696.2798 NA PeJP NA NA +PJ018029 SMHHW C31H40N10O7S 696.2802 NA PeJP NA NA +PJ018030 GPCHHF C31H40N10O7S 696.2803 NA PeJP NA NA +PJ018031 SSLEMM C27H48N6O11S2 696.2823 NA PeJP NA NA +PJ018032 SSTEHH C27H40N10O12 696.2827 NA PeJP NA NA +PJ018033 GGSPNEH C27H40N10O12 696.2828 NA PeJP NA NA +PJ018034 AAMMHH C28H44N10O7S2 696.2836 NA PeJP NA NA +PJ018035 GSSSTCR C24H44N10O12S 696.2861 NA PeJP NA NA +PJ018036 SNQYW C32H40N8O10 696.2867 NA PeJP NA NA +PJ018037 GGSQYW C32H40N8O10 696.2868 NA PeJP NA NA +PJ018038 GCCKMR C25H48N10O7S3 696.287 NA PeJP NA NA +PJ018039 SSSCKW C29H44N8O10S 696.2901 NA PeJP NA NA +PJ018040 GGGGGVMY C29H44N8O10S 696.2902 NA PeJP NA NA +PJ018041 SSSSSDK C25H44N8O15 696.2926 NA PeJP NA NA +PJ018042 SSNKMM C26H48N8O10S2 696.2935 NA PeJP NA NA +PJ018043 GNNQQH C26H40N12O11 696.294 NA PeJP NA NA +PJ018044 PTMYW C34H44N6O8S 696.2941 NA PeJP NA NA +PJ018045 VDMFW C34H44N6O8S 696.2942 NA PeJP NA NA +PJ018046 SPTTEY C30H44N6O13 696.2966 NA PeJP NA NA +PJ018047 KEEEY C30H44N6O13 696.2967 NA PeJP NA NA +PJ018048 GPVMMY C31H48N6O8S2 696.2975 NA PeJP NA NA +PJ018049 GSPNHW C31H40N10O9 696.298 NA PeJP NA NA +PJ018050 ATLMMM C28H52N6O8S3 696.3009 NA PeJP NA NA +PJ018051 NNMRY C28H44N10O9S 696.3014 NA PeJP NA NA +PJ018052 SSSSSSR C24H44N10O14 696.3039 NA PeJP NA NA +PJ018053 STCCKR C25H48N10O9S2 696.3047 NA PeJP NA NA +PJ018054 CNKFW C33H44N8O7S 696.3054 NA PeJP NA NA +PJ018055 TEERY C29H44N8O12 696.3079 NA PeJP NA NA +MJ090924 2,2',3,3'-Tetrahydro-3,3',6,7,7',8'-hexamethoxy-4-(4-methoxyphenyl)-4'-phenyl-5,6'-bi-1H-phenalene C45H44O7 696.308703 NA MeJP NA NA +PJ018056 PMMRY C30H48N8O7S2 696.3088 NA PeJP NA NA +PJ018057 GSSSTKM C26H48N8O12S 696.3113 NA PeJP NA NA +PJ018058 SLEYW C34H44N6O10 696.3119 NA PeJP NA NA +PJ018059 GCKKMM C27H52N8O7S3 696.3121 NA PeJP NA NA +PJ018060 GPCQHR C27H44N12O8S 696.3126 NA PeJP NA NA +PJ018061 AHHFW C35H40N10O6 696.3133 NA PeJP NA NA +MJ090925 Zaragozic acid C; Deacetoxy C38H48O12 696.314577 NA MeJP NA NA +PJ018062 AALEMY C31H48N6O10S 696.3153 NA PeJP NA NA +PJ018063 TTTLMM C28H52N6O10S2 696.3187 NA PeJP NA NA +PJ018064 GSSQRY C28H44N10O11 696.3191 NA PeJP NA NA +PJ018065 GGGGALEH C28H44N10O11 696.3192 NA PeJP NA NA +PJ018066 SNKYW C33H44N8O9 696.3231 NA PeJP NA NA +PJ018067 GGSKYW C33H44N8O9 696.3232 NA PeJP NA NA +PJ018068 VEMRY C30H48N8O9S 696.3265 NA PeJP NA NA +PJ018069 PTFFW C38H44N6O7 696.3272 NA PeJP NA NA +PJ018070 SSSSTTK C26H48N8O14 696.329 NA PeJP NA NA +PJ018071 STCKKM C27H52N8O9S2 696.3299 NA PeJP NA NA +PJ018072 QQEHR C27H44N12O10 696.3304 NA PeJP NA NA +PJ018073 VVMYW C35H48N6O7S 696.3305 NA PeJP NA NA +PJ018074 GPVMFF C35H48N6O7S 696.3306 NA PeJP NA NA +PJ018075 ATTLEY C31H48N6O12 696.333 NA PeJP NA NA +PJ018076 GVLMMF C32H52N6O7S2 696.3339 NA PeJP NA NA +PJ018077 VQQHW C32H44N10O8 696.3344 NA PeJP NA NA +MJ090926 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-gulopyranoside] C35H52O14 696.335706 NA MeJP NA NA +MJ090927 3,14-Dihydroxycarda-5,20(22)-dienolide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C35H52O14 696.335706 NA MeJP NA NA +MJ090928 3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C35H52O14 696.335706 NA MeJP NA NA +MJ090929 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-Bioside (1) C35H52O14 696.335706 NA MeJP NA NA +MJ090930 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C35H52O14 696.335706 NA MeJP NA NA +MJ090931 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-xylo-hexopyranoside] C35H52O14 696.335706 NA MeJP NA NA +MJ090932 Adociasulfate 8 C36H56O9S2 696.336574 NA MeJP NA NA +PJ018078 CQKRY C29H48N10O8S 696.3377 NA PeJP NA NA +PJ018079 GACKRY C29H48N10O8S 696.3378 NA PeJP NA NA +MJ090933 Thalicarpine C41H48N2O8 696.341066 NA MeJP NA NA +MJ090934 Thalifaberine C41H48N2O8 696.341066 NA MeJP NA NA +MJ090935 Thalirevolutine C41H48N2O8 696.341066 NA MeJP NA NA +MJ090936 Thalistine; O5-Me ether, N2-Me C41H49N2O8(+) 696.341066 NA MeJP NA NA +C09655 Thalicarpine C41H48N2O8 696.3411 NA KEGG NA NA +PJ018080 NDHRR C26H44N14O9 696.3416 NA PeJP NA NA +PJ018081 PMFFR C34H48N8O6S 696.3418 NA PeJP NA NA +PJ018082 GSDKKY C30H48N8O11 696.3443 NA PeJP NA NA +PJ018083 LMMFR C31H52N8O6S2 696.3452 NA PeJP NA NA +PJ018084 AQHRW C31H44N12O7 696.3456 NA PeJP NA NA +PJ018085 AAPLYY C35H48N6O9 696.3483 NA PeJP NA NA +PJ018086 GPCKHR C28H48N12O7S 696.349 NA PeJP NA NA +MJ090937 Kraussianin; 12-Acetyloxy, 28-deoxy C39H52O11 696.350962 NA MeJP NA NA +MJ090938 Kraussianin; 21-Epimer, 12-acetyloxy, 28-deoxy C39H52O11 696.350962 NA MeJP NA NA +MJ090939 Kraussianin; 28-Ac C39H52O11 696.350962 NA MeJP NA NA +PJ018087 GTLLMY C32H52N6O9S 696.3517 NA PeJP NA NA +PJ018088 GSSKRY C29H48N10O10 696.3555 NA PeJP NA NA +PJ018089 LLEHW C34H48N8O8 696.3595 NA PeJP NA NA +PJ018090 QKKMY C31H52N8O8S 696.3629 NA PeJP NA NA +PJ018091 VVFFW C39H48N6O6 696.3636 NA PeJP NA NA +PJ018092 QKEHR C28H48N12O9 696.3667 NA PeJP NA NA +PJ018093 GPPDRR C28H48N12O9 696.3668 NA PeJP NA NA +PJ018094 STTLLY C32H52N6O11 696.3694 NA PeJP NA NA +PJ018095 AAPPRW C33H48N10O7 696.3708 NA PeJP NA NA +MJ090940 2,3,19,24-Tetrahydroxy-12-ursene-23,28-dioic acid, 28-O-?-D-Glucopyranosyl ester C36H56O13 696.372091 NA MeJP NA NA +MJ090941 3,14,19-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C36H56O13 696.372091 NA MeJP NA NA +MJ090942 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?2)-6-deoxy-3-O-methyl-?-D-galactopyranoside] C36H56O13 696.372091 NA MeJP NA NA +MJ090943 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-3-O-methyl-?-L-rhamnopyranoside] C36H56O13 696.372091 NA MeJP NA NA +MJ090944 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] C36H56O13 696.372091 NA MeJP NA NA +MJ090945 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-glucopyranoside] C36H56O13 696.372091 NA MeJP NA NA +MJ090946 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] C36H56O13 696.372091 NA MeJP NA NA +MJ090947 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] C36H56O13 696.372091 NA MeJP NA NA +MJ090948 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] C36H56O13 696.372091 NA MeJP NA NA +MJ090949 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[6-Deoxy-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] C36H56O13 696.372091 NA MeJP NA NA +MJ090950 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C36H56O13 696.372091 NA MeJP NA NA +PJ018096 CKKRY C30H52N10O7S 696.3741 NA PeJP NA NA +PJ018097 PPPCKR C30H52N10O7S 696.3742 NA PeJP NA NA +PJ018098 TQHRR C27H48N14O8 696.378 NA PeJP NA NA +PJ018099 GTTKKY C31H52N8O10 696.3807 NA PeJP NA NA +PJ018100 AKHRW C32H48N12O6 696.382 NA PeJP NA NA +MJ090951 Hibispeptin B C36H52N6O8 696.384662 NA MeJP NA NA +PJ018101 AALLFY C36H52N6O8 696.3847 NA PeJP NA NA +MJ090952 Antibiotic VM 44866; 26-(Tigloyloxy), 5-Me ether C40H56O10 696.387348 NA MeJP NA NA +MJ090953 Clerocidin C40H56O10 696.387348 NA MeJP NA NA +MJ090954 Myrtucommulone C C40H56O10 696.387348 NA MeJP NA NA +PJ018102 APPKER C30H52N10O9 696.3919 NA PeJP NA NA +MJ090955 Fla-P3; 3-Chloro C45H57ClO4 696.394538 NA MeJP NA NA +MJ090956 Desotamide C35H52N8O7 696.395896 NA MeJP NA NA +PJ018103 GPPLKW C35H52N8O7 696.3959 NA PeJP NA NA +PJ018104 KKKMY C32H56N8O7S 696.3993 NA PeJP NA NA +PJ018105 APPTRR C29H52N12O8 696.4031 NA PeJP NA NA +PJ018106 VKKHW C34H52N10O6 696.4072 NA PeJP NA NA +MJ090957 16,23-Epoxycycloartane-3,7,15,16,24,25-hexol, 3-O-?-D-Xylopyranoside, 24-Ac C37H60O12 696.408477 NA MeJP NA NA +MJ090958 3,20,25,28-Tetrahydroxystigmastane-6,16-dione, 3-O-?-D-Glucopyranoside, 28-Ac C37H60O12 696.408477 NA MeJP NA NA +MJ090959 3-Hydroxy-23,24,25,26,27-pentanorcucurbit-5-en-22-al, 3-O-[?-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C37H60O12 696.408477 NA MeJP NA NA +MJ090960 Bufogenin; 3-O-(Argininylsuberoyl) C38H56N4O8 696.409814 NA MeJP NA NA +PJ018107 TKHRR C28H52N14O7 696.4144 NA PeJP NA NA +PJ018108 TTLLLH C32H56N8O9 696.4171 NA PeJP NA NA +MJ090961 Bisandrographolide D C41H60O9 696.423733 NA MeJP NA NA +MJ090962 Lasonolide A C41H60O9 696.423733 NA MeJP NA NA +MJ090963 Secamine; 15,15',20,20'-Tetrahydro, 16-hydroxy C42H56N4O5 696.42507 NA MeJP NA NA +PJ018109 SPPLKR C31H56N10O8 696.4283 NA PeJP NA NA +PJ018110 KKKFF C36H56N8O6 696.4323 NA PeJP NA NA +PJ018111 GPVLRR C30H56N12O7 696.4395 NA PeJP NA NA +PJ018112 PLLLLE C34H60N6O9 696.4422 NA PeJP NA NA +MJ090964 20,24-Epoxydammarane-3,12,17,25-tetrol, 12-Ac, 3-O-?-D-glucopyranoside C38H64O11 696.444862 NA MeJP NA NA +MJ090965 Cumingianoside G; 3-Ac C38H64O11 696.444862 NA MeJP NA NA +MJ090966 Cumingianoside G; 6'-Ac C38H64O11 696.444862 NA MeJP NA NA +MJ090967 Dammar-23-ene-1,2,3,20,25-pentol, 3-O-(6-O-Acetyl-?-D-glucopyranoside) C38H64O11 696.444862 NA MeJP NA NA +MJ090968 Dammar-25-ene-1,2,3,20,24-pentol, 3-O-[2-O-Acetyl-?-D-glucopyranoside] C38H64O11 696.444862 NA MeJP NA NA +MJ090969 Dammar-25-ene-1,2,3,20,24-pentol, 3-O-[6-O-Acetyl-?-D-glucopyranoside] C38H64O11 696.444862 NA MeJP NA NA +PJ018113 PLRRR C29H56N14O6 696.4508 NA PeJP NA NA +PJ018114 PVLLQK C33H60N8O8 696.4534 NA PeJP NA NA +PJ018115 GGPLLLK C33H60N8O8 696.4535 NA PeJP NA NA +PJ018116 APLLKR C32H60N10O7 696.4647 NA PeJP NA NA +PJ018117 PVLLKK C34H64N8O7 696.4898 NA PeJP NA NA +PJ018118 LLLLLL C36H68N6O7 696.515 NA PeJP NA NA +C05814 2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone C48H72O3 696.5481 NA KEGG NA NA +MetaCyc04062 2-octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone [] C48H72O3 696.548146 NA metacyc NA NA +MJ090970 Antibiotic WA 8242; Antibiotic WA 8242B C40H76N2O7 696.565252 NA MeJP NA NA +HMDB07382 DG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C45H76O5 696.569275 NA HMDB2010 NA NA +HMDB07409 DG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C45H76O5 696.569275 NA HMDB2010 NA NA +HMDB07410 DG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C45H76O5 696.569275 NA HMDB2010 NA NA +HMDB07437 DG(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C45H76O5 696.569275 NA HMDB2010 NA NA +HMDB07523 DG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/0:0) C45H76O5 696.569275 NA HMDB2010 NA NA +HMDB07552 DG(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/0:0) C45H76O5 696.569275 NA HMDB2010 NA NA +HMDB07580 DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z)/0:0) C45H76O5 696.569275 NA HMDB2010 NA NA +HMDB07636 DG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C45H76O5 696.569275 NA HMDB2010 NA NA +HMDB07663 DG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C45H76O5 696.569275 NA HMDB2010 NA NA +HMDB07664 DG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C45H76O5 696.569275 NA HMDB2010 NA NA +HMDB07689 DG(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z)/0:0) C45H76O5 696.569275 NA HMDB2010 NA NA +HMDB07717 DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/0:0) C45H76O5 696.569275 NA HMDB2010 NA NA +HMDB07746 DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/0:0) C45H76O5 696.569275 NA HMDB2010 NA NA +HMDB07774 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0/0:0) C45H76O5 696.569275 NA HMDB2010 NA NA +HMDB06733 Cholesteryl docosahexaenoic acid C49H76O2 696.58453 http://www.hmdb.ca/metabolites/HMDB06733 HMDB NA NA +HMDB06733 Cholesteryl docosahexaenoic acid C49H76O2 696.58453 HMDB06733 PFEM_hmdb_metabocards_official NA NA +HMDB06733 CE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C49H76O2 696.584534 NA HMDB2010 NA NA +MJ090971 12-Oleanene-3,16,28-triol, 3-Hexadecanoyl C46H80O4 696.605661 NA MeJP NA NA +MJ090972 20(29)-Lupene-3,16,28-triol, 3-Hexadecanoyl C46H80O4 696.605661 NA MeJP NA NA +MJ090973 20(29)-Lupene-3,7,15-triol, 3-Hexadecanoyl C46H80O4 696.605661 NA MeJP NA NA +MJ090974 20-Taraxastene-3,16,22-triol, 3-Hexadecanoyl C46H80O4 696.605661 NA MeJP NA NA +FL7AACDL0001 Cyanidin 3-(6-malonylglucoside)-8-C-glucoside C30H33O19 697.1616 617713-30-1 knapsack NA NA +FL7AACGL0034 Cyanidin 3-(6''-malonyllaminaribioside) C30H33O19 697.1616 157201-93-9 knapsack NA NA +FL7AACGL0044 Cyanidin 3-(6''-malonylglucoside)-5-glucoside C30H33O19 697.1616 104055-86-9 knapsack NA NA +FL7AAGGL0043 Delphinidin 3-(2-rhamnosyl-6-malonylglucoside) C30H33O19 697.1616 639035-75-9 knapsack NA NA +PJ018119 CCNDDE C23H35N7O14S2 697.1684 NA PeJP NA NA +MJ090975 8-(Bromomethyl)-3,6,7,8-tetrahydro-2-methyl-4-[[(4-methyl-1-piperazinyl)carbonyl]oxy]-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]benzo[1,2-b:4,3-b']dipyrrole-1-carboxylic acid, Me ester C32H36BrN5O8 697.174725 NA MeJP NA NA +PJ018120 GCCDDW C27H35N7O11S2 697.1836 NA PeJP NA NA +PJ018121 GSSCDDD C23H35N7O16S 697.1861 NA PeJP NA NA +PJ018122 GSPCCCE C24H39N7O11S3 697.187 NA PeJP NA NA +FL7AAIGL0016 Malvidin 3-(6''-acetylglucoside)-5-glucoside C31H37O18 697.19798 164266-06-2 knapsack NA NA +PJ018123 CCNNNM C23H39N9O10S3 697.1982 NA PeJP NA NA +PJ018124 GGGGGGCCM C23H39N9O10S3 697.1983 NA PeJP NA NA +MJ090976 Antibiotic SF 2446A1 C34H35NO15 697.200669 NA MeJP NA NA +PJ018125 SPCCCW C28H39N7O8S3 697.2022 NA PeJP NA NA +PJ018126 SSSPCCD C24H39N7O13S2 697.2047 NA PeJP NA NA +PJ018127 SCNDEM C24H39N7O13S2 697.2048 NA PeJP NA NA +PJ018128 PCCNMM C25H43N7O8S4 697.2056 NA PeJP NA NA +PJ018129 SCCDDR C23H39N9O12S2 697.216 NA PeJP NA NA +PJ018130 GNDDDY C27H35N7O15 697.2191 NA PeJP NA NA +PJ018131 GGGDDDY C27H35N7O15 697.2192 NA PeJP NA NA +PJ018132 GSCDMW C28H39N7O10S2 697.22 NA PeJP NA NA +PJ018133 GSSSDDM C24H39N7O15S 697.2225 NA PeJP NA NA +PJ018134 GNDMMM C25H43N7O10S3 697.2234 NA PeJP NA NA +PJ018135 CCFYY C33H39N5O8S2 697.224 NA PeJP NA NA +MJ090977 Dactylocycline A C31H40ClN3O13 697.224966 NA MeJP NA NA +PJ018136 SSSSCNN C23H39N9O14S 697.2337 NA PeJP NA NA +PJ018137 GGGGSSSSC C23H39N9O14S 697.2338 NA PeJP NA NA +PJ018138 GCCEMR C24H43N9O9S3 697.2346 NA PeJP NA NA +PJ018139 TCCWW C32H39N7O7S2 697.2353 NA PeJP NA NA +MJ090978 Alangiside; O-De-Me, 2'-(4-hydroxy-3,5-dimethoxycinnamoyl)(E-) C35H39NO14 697.237054 NA MeJP NA NA +MJ090979 Alangiside; O-De-Me, 6'-(4-hydroxy-3,5-dimethoxycinnamoyl) C35H39NO14 697.237054 NA MeJP NA NA +PJ018140 SSSCEW C28H39N7O12S 697.2378 NA PeJP NA NA +PJ018141 CQMMW C29H43N7O7S3 697.2386 NA PeJP NA NA +PJ018142 SSSSSDE C24H39N7O17 697.2403 NA PeJP NA NA +PJ018143 SSNEMM C25H43N7O12S2 697.2411 NA PeJP NA NA +PJ018144 SCYYY C33H39N5O10S 697.2418 NA PeJP NA NA +PJ018145 GCNMHH C26H39N11O8S2 697.2425 NA PeJP NA NA +PJ018146 EEEEY C29H39N5O15 697.2443 NA PeJP NA NA +PJ018147 GCNNQY C27H39N9O11S 697.249 NA PeJP NA NA +PJ018148 CCMRW C28H43N9O6S3 697.2499 NA PeJP NA NA +PJ018149 SSCDMR C24H43N9O11S2 697.2524 NA PeJP NA NA +PJ018150 CNEFW C32H39N7O9S 697.253 NA PeJP NA NA +PJ018151 GSNEEY C28H39N7O14 697.2555 NA PeJP NA NA +PJ018152 GSSMMW C29H43N7O9S2 697.2564 NA PeJP NA NA +PJ018153 GSSSTEM C25H43N7O14S 697.2589 NA PeJP NA NA +PJ018154 GTQMMM C26H47N7O9S3 697.2598 NA PeJP NA NA +PJ018155 SSCQHH C26H39N11O10S 697.2602 NA PeJP NA NA +PJ018156 GGGGPCNH C26H39N11O10S 697.2603 NA PeJP NA NA +PJ018157 SSNNNY C27H39N9O13 697.2667 NA PeJP NA NA +PJ018158 GGSSNNY C27H39N9O13 697.2668 NA PeJP NA NA +PJ018159 GPCCRY C28H43N9O8S2 697.2676 NA PeJP NA NA +PJ018160 GCFWW C36H39N7O6S 697.2683 NA PeJP NA NA +PJ018161 SNEYW C32H39N7O11 697.2708 NA PeJP NA NA +PJ018162 GTCMMR C25H47N9O8S3 697.271 NA PeJP NA NA +MJ090980 Prelissoclinamide 2 C33H43N7O6S2 697.271623 NA MeJP NA NA +MJ090981 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 9-benzoyl, 2-(2-methylpropanoyl), 1,14-di-Ac C36H43NO13 697.27344 NA MeJP NA NA +PJ018163 SSSTMW C29H43N7O11S 697.2741 NA PeJP NA NA +PJ018164 GAQEMY C29H43N7O11S 697.2742 NA PeJP NA NA +PJ018165 CKMMW C30H47N7O6S3 697.275 NA PeJP NA NA +PJ018166 SSSSTTE C25H43N7O16 697.2766 NA PeJP NA NA +PJ018167 SSDKMM C26H47N7O11S2 697.2775 NA PeJP NA NA +PJ018168 GSSSSHH C26H39N11O12 697.278 NA PeJP NA NA +PJ018169 ACCKHH C27H43N11O7S2 697.2789 NA PeJP NA NA +PJ018170 GSPDHW C31H39N9O10 697.282 NA PeJP NA NA +PJ018171 NDMRY C28H43N9O10S 697.2854 NA PeJP NA NA +PJ018172 GSYWW C36H39N7O8 697.286 NA PeJP NA NA +PJ018173 MHHHH C29H39N13O6S 697.2867 NA PeJP NA NA +PJ018174 SSSMMR C25H47N9O10S2 697.2887 NA PeJP NA NA +PJ018175 AQMYW C33H43N7O8S 697.2894 NA PeJP NA NA +PJ018176 GSDKEY C29H43N7O13 697.2919 NA PeJP NA NA +PJ018177 GPCKMY C30H47N7O8S2 697.2928 NA PeJP NA NA +PJ018178 NNQHW C30H39N11O9 697.2932 NA PeJP NA NA +PJ018179 GGNQHW C30H39N11O9 697.2933 NA PeJP NA NA +PJ018180 SSSSSLM C26H47N7O13S 697.2953 NA PeJP NA NA +PJ018181 ASKMMM C27H51N7O8S3 697.2961 NA PeJP NA NA +PJ018182 GTKMMM C27H51N7O8S3 697.2962 NA PeJP NA NA +PJ018183 GPCEHR C27H43N11O9S 697.2966 NA PeJP NA NA +PJ018184 ACRYW C32H43N9O7S 697.3006 NA PeJP NA NA +PJ018185 GAPMHW C32H43N9O7S 697.3007 NA PeJP NA NA +PJ018186 GSSERY C28H43N9O12 697.3031 NA PeJP NA NA +PJ018187 GVQEEH C28H43N9O12 697.3032 NA PeJP NA NA +PJ018188 NMMFR C29H47N9O7S2 697.304 NA PeJP NA NA +PJ018189 GPNHHH C29H39N13O8 697.3045 NA PeJP NA NA +PJ018190 SDKYW C33H43N7O10 697.3072 NA PeJP NA NA +C12044 Rifamycin C37H47NO12 697.3098 NA KEGG NA NA +MJ090982 Damavaricin D C37H47NO12 697.309825 NA MeJP NA NA +MJ090983 Rifamycin S; 16,17-Dihydro C37H47NO12 697.309825 NA MeJP NA NA +MJ090984 Rifamycin SV C37H47NO12 697.309825 NA MeJP NA NA +PJ018191 QKEMY C30H47N7O10S 697.3105 NA PeJP NA NA +PJ018192 PCHRW C31H43N11O6S 697.3119 NA PeJP NA NA +PJ018193 SSTTTTT C26H47N7O15 697.313 NA PeJP NA NA +PJ018194 STTKMM C27H51N7O10S2 697.3139 NA PeJP NA NA +PJ018195 QEEHR C27H43N11O11 697.3144 NA PeJP NA NA +PJ018196 SSRYW C32H43N9O9 697.3184 NA PeJP NA NA +PJ018197 TQMRY C29H47N9O9S 697.3218 NA PeJP NA NA +PJ018198 AQFFW C37H43N7O7 697.3224 NA PeJP NA NA +PJ018199 DDHRR C26H43N13O10 697.3256 NA PeJP NA NA +PJ018200 AKMYW C34H47N7O7S 697.3258 NA PeJP NA NA +PJ018201 GTTKEY C30H47N7O12 697.3283 NA PeJP NA NA +PJ018202 AAKMMF C31H51N7O7S2 697.3292 NA PeJP NA NA +PJ018203 AEHRW C31H43N11O8 697.3296 NA PeJP NA NA +MJ090985 Tetrin A; 4-Hydroxy C34H51NO14 697.330955 NA MeJP NA NA +PJ018204 TCRRY C28H47N11O8S 697.333 NA PeJP NA NA +PJ018205 GLHWW C36H43N9O6 697.3337 NA PeJP NA NA +PJ018206 PKMHW C33H47N9O6S 697.337 NA PeJP NA NA +PJ018207 GTTTRY C29H47N9O11 697.3395 NA PeJP NA NA +PJ018208 GGGGGSPPL C29H47N9O11 697.3396 NA PeJP NA NA +PJ018209 TTKYW C34H47N7O9 697.3435 NA PeJP NA NA +PJ018210 GPPLEW C34H47N7O9 697.3436 NA PeJP NA NA +PJ018211 KKEMY C31H51N7O9S 697.3469 NA PeJP NA NA +PJ018212 KEEHR C28H47N11O10 697.3508 NA PeJP NA NA +MJ090986 Cyclotheonamide D C33H47N9O8 697.354759 NA MeJP NA NA +PJ018213 VKEHW C33H47N9O8 697.3548 NA PeJP NA NA +PJ018214 TKMRY C30H51N9O8S 697.3581 NA PeJP NA NA +PJ018215 PPPTMR C30H51N9O8S 697.3582 NA PeJP NA NA +PJ018216 PPLWW C38H47N7O6 697.3588 NA PeJP NA NA +PJ018217 TEHRR C27H47N13O9 697.362 NA PeJP NA NA +PJ018218 SSTLKY C31H51N7O11 697.3647 NA PeJP NA NA +PJ018219 SLHRW C32H47N11O7 697.366 NA PeJP NA NA +MJ090987 Gerobriecin C35H55NO13 697.36734 NA MeJP NA NA +MJ090988 Microginin T1; Dechloro C36H51N5O9 697.368678 NA MeJP NA NA +PJ018220 AALMHR C29H51N11O7S 697.3694 NA PeJP NA NA +PJ018221 SPPLER C30H51N9O10 697.3759 NA PeJP NA NA +PJ018222 SPPVLW C35H51N7O8 697.3799 NA PeJP NA NA +PJ018223 GAPPPLF C35H51N7O8 697.38 NA PeJP NA NA +PJ018224 VMHRR C28H51N13O6S 697.3806 NA PeJP NA NA +PJ018225 PPLLQM C32H55N7O8S 697.3833 NA PeJP NA NA +PJ018226 ATTLHR C29H51N11O9 697.3871 NA PeJP NA NA +PJ018227 SSVLHR C29H51N11O9 697.3872 NA PeJP NA NA +MJ090989 Lyngbyapeptin A C37H55N5O6S 697.387305 NA MeJP NA NA +PJ018228 TKFFR C34H51N9O7 697.3912 NA PeJP NA NA +PJ018229 PPVVMR C31H55N9O7S 697.3946 NA PeJP NA NA +PJ018230 AAPQRR C28H51N13O8 697.3984 NA PeJP NA NA +PJ018231 PVLLQE C32H55N7O10 697.4011 NA PeJP NA NA +MJ090990 Mycinamycin II; 14-Deoxy, 3B-O-de-Me C36H59NO12 697.403726 NA MeJP NA NA +MJ090991 Mycinamycin VI; 14?-Hydroxy, 2''-Me ether C36H59NO12 697.403726 NA MeJP NA NA +MJ090992 Mycinamycin XIV C36H59NO12 697.403726 NA MeJP NA NA +PJ018232 PNRRR C27H51N15O7 697.4096 NA PeJP NA NA +PJ018233 APLLER C31H55N9O9 697.4123 NA PeJP NA NA +PJ018234 GPLLLW C36H55N7O7 697.4163 NA PeJP NA NA +PJ018235 PPLLKM C33H59N7O7S 697.4197 NA PeJP NA NA +PJ018236 GPLQKR C30H55N11O8 697.4235 NA PeJP NA NA +PJ018237 GGAPLKR C30H55N11O8 697.4236 NA PeJP NA NA +PJ018238 AAPKRR C29H55N13O7 697.4348 NA PeJP NA NA +PJ018239 PVLLKE C33H59N7O9 697.4375 NA PeJP NA NA +MJ090993 Mycinamycin VI; 9-Alcohol, 2'',3''-di-Me ether C37H63NO11 697.440111 NA MeJP NA NA +PJ018240 SPLLLR C32H59N9O8 697.4487 NA PeJP NA NA +PJ018241 GPLKKR C31H59N11O7 697.4599 NA PeJP NA NA +MJ090994 Kailuin; !Kailuin A C35H63N5O9 697.462578 NA MeJP NA NA +HMDB08898 PE(15:0/18:4(6Z,9Z,12Z,15Z)) C38H68NO8P 697.468262 NA HMDB2010 NA NA +HMDB09186 PE(18:4(6Z,9Z,12Z,15Z)/15:0) C38H68NO8P 697.468262 NA HMDB2010 NA NA +PJ018242 VLLLLQ C34H63N7O8 697.4738 NA PeJP NA NA +PJ018243 GGLLLLL C34H63N7O8 697.4739 NA PeJP NA NA +PJ018244 ALLLLR C33H63N9O7 697.4851 NA PeJP NA NA +HMDB09147 PE(18:3(6Z,9Z,12Z)/P-16:0) C39H72NO7P 697.504639 NA HMDB2010 NA NA +HMDB09180 PE(18:3(9Z,12Z,15Z)/P-16:0) C39H72NO7P 697.504639 NA HMDB2010 NA NA +HMDB11344 PE(P-16:0/18:3(6Z,9Z,12Z)) C39H72NO7P 697.504639 NA HMDB2010 NA NA +HMDB11345 PE(P-16:0/18:3(9Z,12Z,15Z)) C39H72NO7P 697.504639 NA HMDB2010 NA NA +PJ018245 VLLLLK C35H67N7O7 697.5102 NA PeJP NA NA +EUR1055 SM(d18:1/14:0) [M+Na]+ C37H76N2O6P 697.526047 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1055 SM(d18:1/14:0) [M+Na]+ C37H76N2O6P 697.526047 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1055 SM(d18:1/14:0) [M+Na]+ C37H76N2O6P 697.526047 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1055 SM(d18:1/14:0) [M+Na]+ C37H76N2O6P 697.526047 masses lipides attendues Inhousejuil11 NA NA +MJ090995 2-Amino-4,8-octadecadiene-1,3-diol, N-Hexadecanoyl, 1-O-?-D-glucopyranoside C40H75NO8 697.549268 NA MeJP NA NA +MJ090996 2-Amino-9-methyl-4,8-heptadecadiene-1,3-diol, N-Hexadecanoyl, 1-O-?-D-glucopyranoside C40H75NO8 697.549268 NA MeJP NA NA +MJ090997 2-Amino-1,3,4-octadecanetriol, N-(2?,3?-Dihydroxy-?-tetracosenoyl) C42H83NO6 697.622039 NA MeJP NA NA +MJ090998 2-Amino-1,3,4-octadecanetriol, N-(2R-Hydroxypentacosanoyl) C43H87NO5 697.658424 NA MeJP NA NA +7036 synthetic peptide from alpha-gliadin EEIRNLALQTLP 697.87895 MH2+ Inhouse_peptide NA peptide +7781 peptide from human immunodefficiency virus-1* GRKKRRQRRR 697.9365 MH2+ Inhouse_peptide NA peptide +3880 temporin A FLPLIGRVLSGIL~ 697.94145 MH2+ Inhouse_peptide NA peptide +MJ090999 Chlorotris(1-phenyl-1,3-butanedionato-O,O')hafnium(IV) C30H27ClHfO6 698.096165 NA MeJP NA NA +PJ018246 CCCCMH C23H38N8O7S5 698.1467 NA PeJP NA NA +MJ091000 ?-Rubromycin; 3R,3'R-Dihydroxy, 3'-O-(2,6-dideoxy-3-O-methyl-?-L-ribo-hexopyranoside) C33H30O17 698.148299 NA MeJP NA NA +PJ018247 CCDDDE C23H34N6O15S2 698.1524 NA PeJP NA NA +MJ091001 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-O-(4-Hydroxybenzoyl) C37H30O14 698.163555 NA MeJP NA NA +MJ091002 Quercitrin; 4''-(4-Hydroxycinnamoyl), 3''-benzoyl C37H30O14 698.163555 NA MeJP NA NA +PJ018248 GPCCCCN C23H38N8O9S4 698.1645 NA PeJP NA NA +MJ091003 Antibiotic BE 52440A C34H34O14S 698.166926 NA MeJP NA NA +MJ091004 Blepharismins; Blepharismin 3 C41H30O11 698.178811 NA MeJP NA NA +MJ091005 Blepharismins; Blepharismin 4 C41H30O11 698.178811 NA MeJP NA NA +MJ091006 myo-Inosose 2; Pentabenzoyl C41H30O11 698.178811 NA MeJP NA NA +PJ018249 CCNNDM C23H38N8O11S3 698.1822 NA PeJP NA NA +PJ018250 GGCCNDM C23H38N8O11S3 698.1823 NA PeJP NA NA +PJ018251 SCDDEM C24H38N6O14S2 698.1888 NA PeJP NA NA +PJ018252 PCCDMM C25H42N6O9S4 698.1896 NA PeJP NA NA +MJ091007 4-Amino-?-[[3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-3-iodobenzenebutanoic acid C33H39IN4O5 698.196513 NA MeJP NA NA +PJ018253 GCCCQW C27H38N8O8S3 698.1975 NA PeJP NA NA +MJ091008 [p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',3',5'-Tris(4S,5S-epoxy-2Z-hexenoyl), 6'-Ac C38H34O13 698.199941 NA MeJP NA NA +PJ018254 GSSCCNE C23H38N8O13S2 698.2 NA PeJP NA NA +PJ018255 GDDDDY C27H34N6O16 698.2032 NA PeJP NA NA +PJ018256 PCCDDF C28H38N6O11S2 698.204 NA PeJP NA NA +FL5FGAGS0002 5,7-Dihydroxy-3,6,8,4'-tetramethoxyflavone 7-glucosyl-(1->3)-galactoside;7-[(3-O-beta-D-Glucopyranosyl-D-galactopyranosyl)oxy]-5-hydroxy-3,6,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C31H38O18 698.20581 205448-83-5 knapsack NA NA +FLIAFLGS0002 Isocaviunin 7-O-gentiobioside C31H38O18 698.20581 74517-73-0 knapsack NA NA +MJ091009 2',4',5,5',6,7-Hexahydroxyisoflavone; 2',4',5',6-Tetra-Me ether, 7-O-gentiobioside C31H38O18 698.205814 NA MeJP NA NA +MJ091010 2',4',5,5',7,8-Hexahydroxyisoflavone; 2',4',5',8-Tetra-Me ether, 7-O-gentiobioside C31H38O18 698.205814 NA MeJP NA NA +MJ091011 3,4',5,6,7,8-Hexahydroxyflavone; 3,4',6,8-Tetra-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] C31H38O18 698.205814 NA MeJP NA NA +MJ091012 3,4',5,6,7,8-Hexahydroxyflavone; 3,5,6,8-Tetra-Me ether, 4'-O-[?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] C31H38O18 698.205814 NA MeJP NA NA +MJ091013 3,4-Dihydro-3,6,8,9-tetrahydroxy-3-methyl-1(2H)-anthracenone, 6-Me ether, 8-O-[6-O-malonyl-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C31H38O18 698.205814 NA MeJP NA NA +MJ091014 Deacylchelonanthoside; O-(4-Glucosyloxy-3-hydroxy-E-cinnamoyl) C31H38O18 698.205814 NA MeJP NA NA +PJ018257 GDDMMM C25H42N6O11S3 698.2074 NA PeJP NA NA +PJ018258 PCCCHH C26H38N10O7S3 698.2087 NA PeJP NA NA +MJ091015 Davidiol B C42H34O10 698.215197 NA MeJP NA NA +PJ018259 SSCCNW C27H38N8O10S2 698.2153 NA PeJP NA NA +PJ018260 SSSSCND C23H38N8O15S 698.2177 NA PeJP NA NA +PJ018261 GGSSSSCD C23H38N8O15S 698.2178 NA PeJP NA NA +PJ018262 SCNNMM C24H42N8O10S3 698.2186 NA PeJP NA NA +PJ018263 SPCDDY C28H38N6O13S 698.2218 NA PeJP NA NA +PJ018264 CEMMW C29H42N6O8S3 698.2226 NA PeJP NA NA +PJ018265 SSDEMM C25H42N6O13S2 698.2252 NA PeJP NA NA +PJ018266 SPCMMM C26H46N6O8S4 698.226 NA PeJP NA NA +PJ018267 GCDMHH C26H38N10O9S2 698.2265 NA PeJP NA NA +PJ018268 SCCCQR C23H42N10O9S3 698.2299 NA PeJP NA NA +PJ018269 GCNNEY C27H38N8O12S 698.233 NA PeJP NA NA +PJ018270 GCCCKW C28H42N8O7S3 698.2339 NA PeJP NA NA +MJ091016 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolign-7'-ene; 3,3'-Di-Me ether, 9-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 9'-O-(4-hydroxy-E-cinnamoyl) C39H38O12 698.236326 NA MeJP NA NA +PJ018271 GSSSCQM C24H42N8O12S2 698.2364 NA PeJP NA NA +PJ018272 CDEFW C32H38N6O10S 698.237 NA PeJP NA NA +PJ018273 GSDEEY C28H38N6O15 698.2395 NA PeJP NA NA +PJ018274 GPCEMY C29H42N6O10S2 698.2404 NA PeJP NA NA +FL4DAAGI0003 Dihydrophelloside C32H42O17 698.24219 20194-52-9 knapsack NA NA +MJ091017 3,4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavone; 2,3-Dihydro, 3'',7-di-O-?-D-glucopyranoside C32H42O17 698.242199 NA MeJP NA NA +MJ091018 Kalopanaxin C C32H42O17 698.242199 NA MeJP NA NA +MJ091019 Wikstromol, 4,4'-Di-O-?-D-glucopyranoside C32H42O17 698.242199 NA MeJP NA NA +PJ018275 GTEMMM C26H46N6O10S3 698.2438 NA PeJP NA NA +PJ018276 SSCEHH C26H38N10O11S 698.2443 NA PeJP NA NA +MJ091020 28-Methylstigmasta-22,25-diene-2,3,6-triol, 2,3,6-Trisulfate C30H50O12S3 698.246439 NA MeJP NA NA +PJ018277 GSSSCCR C23H42N10O11S2 698.2476 NA PeJP NA NA +PJ018278 CNNYW C31H38N8O9S 698.2483 NA PeJP NA NA +PJ018279 SSNNDY C27H38N8O14 698.2508 NA PeJP NA NA +PJ018280 GCNQMF C28H42N8O9S2 698.2516 NA PeJP NA NA +PJ018281 GGGCQMF C28H42N8O9S2 698.2517 NA PeJP NA NA +PJ018282 SSSSSNM C24H42N8O14S 698.2541 NA PeJP NA NA +PJ018283 SDEYW C32H38N6O12 698.2548 NA PeJP NA NA +PJ018284 SCCQKM C25H46N8O9S3 698.255 NA PeJP NA NA +PJ018285 PCMYW C33H42N6O7S2 698.2557 NA PeJP NA NA +PJ018286 QEEMY C29H42N6O12S 698.2582 NA PeJP NA NA +HMDB00789 Pentacarboxylporphyrin I C37H38N4O10 698.258789 NA HMDB2010 NA NA +HMDB00789 Pentacarboxylporphyrin I C37H38N4O10 698.25879 http://www.hmdb.ca/metabolites/HMDB00789 HMDB NA NA +HMDB00789 Pentacarboxylporphyrin I C37H38N4O10 698.25879 HMDB00789 PFEM_hmdb_metabocards_official NA NA +PJ018287 TMMMW C30H46N6O7S3 698.259 NA PeJP NA NA +PJ018288 STTEMM C26H46N6O12S2 698.2615 NA PeJP NA NA +PJ018289 GNNEEH C26H38N10O13 698.262 NA PeJP NA NA +PJ018290 GVMMMM C27H50N6O7S4 698.2624 NA PeJP NA NA +PJ018291 GCCNFR C27H42N10O8S2 698.2629 NA PeJP NA NA +PJ018292 SCCCKR C24H46N10O8S3 698.2663 NA PeJP NA NA +PJ018293 DDMRY C28H42N8O11S 698.2694 NA PeJP NA NA +PJ018294 GSSSSSST C24H42N8O16 698.2719 NA PeJP NA NA +MJ091021 1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 1,2,9-Tribenzoyl, 6,8-di-Ac C40H42O11 698.272712 NA MeJP NA NA +PJ018295 GSSSCKM C25H46N8O11S2 698.2728 NA PeJP NA NA +PJ018296 SNNNNH C25H38N12O12 698.2732 NA PeJP NA NA +PJ018297 GGGGSNNH C25H38N12O12 698.2733 NA PeJP NA NA +PJ018298 AEMYW C33H42N6O9S 698.2734 NA PeJP NA NA +PJ018299 MMMMR C26H50N8O6S4 698.2736 NA PeJP NA NA +PJ018300 GTTEEY C29H42N6O14 698.2759 NA PeJP NA NA +PJ018301 GPTMMY C30H46N6O9S2 698.2768 NA PeJP NA NA +PJ018302 NNEHW C30H38N10O10 698.2773 NA PeJP NA NA +MJ091022 15,16-Epoxy-12-hydroxy-3,13(16),14-clerodatrien-17,6-olid-18-oic acid, 12-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], Me ester C33H46O16 698.278585 NA MeJP NA NA +PJ018303 SSLMMM C27H50N6O9S3 698.2802 NA PeJP NA NA +PJ018304 GSCNRY C27H42N10O10S 698.2806 NA PeJP NA NA +PJ018305 GGGGSPMH C27H42N10O10S 698.2807 NA PeJP NA NA +PJ018306 PEMHW C32H42N8O8S 698.2847 NA PeJP NA NA +PJ018307 SSSQQY C28H42N8O13 698.2871 NA PeJP NA NA +PJ018308 GGSSTQY C28H42N8O13 698.2872 NA PeJP NA NA +PJ018309 DMMFR C29H46N8O8S2 698.288 NA PeJP NA NA +PJ018310 GPDHHH C29H38N12O9 698.2885 NA PeJP NA NA +PJ018311 PCFFW C37H42N6O6S 698.2887 NA PeJP NA NA +PJ018312 SSSSTCK C25H46N8O13S 698.2905 NA PeJP NA NA +PJ018313 TTEYW C33H42N6O11 698.2912 NA PeJP NA NA +PJ018314 SCCKKM C26H50N8O8S3 698.2914 NA PeJP NA NA +PJ018315 CLMFW C34H46N6O6S2 698.292 NA PeJP NA NA +PJ018316 GNHWW C34H38N10O7 698.2925 NA PeJP NA NA +MJ091023 5,20-Epoxy-11-taxene-2,4,7,9,10,13-hexol, 2-Benzoyl, 4,7,9,10,13-penta-Ac C37H46O13 698.293841 NA MeJP NA NA +PJ018317 SPTTMY C30H46N6O11S 698.2945 NA PeJP NA NA +PJ018318 KEEMY C30H46N6O11S 698.2946 NA PeJP NA NA +PJ018319 QMHHF C31H42N10O7S 698.2959 NA PeJP NA NA +PJ018320 EEEHR C27H42N10O12 698.2984 NA PeJP NA NA +PJ018321 VEEHW C32H42N8O10 698.3024 NA PeJP NA NA +MJ091024 Neoantimycin C36H46N2O12 698.305074 NA MeJP NA NA +PJ018322 TEMRY C29H46N8O10S 698.3058 NA PeJP NA NA +PJ018323 APYYW C37H42N6O8 698.3064 NA PeJP NA NA +PJ018324 CHHFR C30H42N12O6S 698.3071 NA PeJP NA NA +PJ018325 GSNEHR C26H42N12O11 698.3096 NA PeJP NA NA +PJ018326 SLMYW C34H46N6O8S 698.3098 NA PeJP NA NA +PJ018327 SSTLEY C30H46N6O13 698.3123 NA PeJP NA NA +PJ018328 AALMMY C31H50N6O8S2 698.3132 NA PeJP NA NA +PJ018329 TQQHW C31H42N10O9 698.3136 NA PeJP NA NA +PJ018330 NDKHW C31H42N10O9 698.3137 NA PeJP NA NA +PJ018331 GVQQMH C28H46N10O9S 698.317 NA PeJP NA NA +PJ018332 PPNWW C36H42N8O7 698.3177 NA PeJP NA NA +MJ091025 Adiantifoline; O7',O13'-Di-de-Me C40H46N2O9 698.320331 NA MeJP NA NA +MJ091026 Faurithaline; 3-Methoxy C40H46N2O9 698.320331 NA MeJP NA NA +MJ091027 Iznikine C40H46N2O9 698.320331 NA MeJP NA NA +MJ091028 Thaldimerine C40H46N2O9 698.320331 NA MeJP NA NA +MJ091029 Thalifaberine; 5'-Hydroxy, O3-de-Me C40H46N2O9 698.320331 NA MeJP NA NA +PJ018333 APPMHF C33H46N8O7S 698.3211 NA PeJP NA NA +PJ018334 SSSQKY C29H46N8O12 698.3235 NA PeJP NA NA +PJ018335 ATLEEH C29H46N8O12 698.3236 NA PeJP NA NA +PJ018336 VMMRY C30H50N8O7S2 698.3244 NA PeJP NA NA +PJ018337 SNHRW C30H42N12O8 698.3249 NA PeJP NA NA +PJ018338 PKEYY C34H46N6O10 698.3276 NA PeJP NA NA +PJ018339 QQMHR C27H46N12O8S 698.3282 NA PeJP NA NA +PJ018340 GAQMHR C27H46N12O8S 698.3283 NA PeJP NA NA +MJ091030 Nimbolidin A; 7-Deacyl, 7-tigloyl C38H50O12 698.330227 NA MeJP NA NA +MJ091031 Zaragozic acid C; 4',5'-Dihydro, deacetoxy C38H50O12 698.330227 NA MeJP NA NA +PJ018341 ATTLMY C31H50N6O10S 698.3309 NA PeJP NA NA +PJ018342 KMHHF C32H46N10O6S 698.3323 NA PeJP NA NA +PJ018343 SPPNER C28H46N10O11 698.3348 NA PeJP NA NA +MJ091032 Casoxin 6; Deseryl C33H46N8O9 698.338775 NA MeJP NA NA +PJ018344 GPPDKW C33H46N8O9 698.3388 NA PeJP NA NA +PJ018345 CQHRR C26H46N14O7S 698.3395 NA PeJP NA NA +PJ018346 GTCKKY C30H50N8O9S 698.3422 NA PeJP NA NA +PJ018347 ALFYW C38H46N6O7 698.3428 NA PeJP NA NA +PJ018348 GSDKHR C27H46N12O10 698.346 NA PeJP NA NA +PJ018349 AALMFF C35H50N6O7S 698.3462 NA PeJP NA NA +MJ091033 Triornicin C31H50N6O12 698.348671 NA MeJP NA NA +PJ018350 TTTTLY C31H50N6O12 698.3487 NA PeJP NA NA +PJ018351 GSPPRW C32H46N10O8 698.35 NA PeJP NA NA +PJ018352 GGGPKHF C32H46N10O8 698.3501 NA PeJP NA NA +MJ091034 1,3,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091035 1,3,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091036 15,20-Dihydroxypregn-4-en-3-one, 20-O-[?-D-Glucopyranosyl-(1?4)-6-O-acetyl-?-D-glucopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091037 3,11,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091038 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-gulopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091039 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091040 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[?-L-Allopyranosyl-(1?4)-6-deoxy-?-D-gulopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091041 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091042 3,14,16-Trihydroxycard-20(22)-enolide, Glycoside C35H54O14 698.351356 NA MeJP NA NA +MJ091043 3,14,19-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-glucopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091044 3,14,19-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091045 3,14,19-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-allopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091046 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091047 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091048 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091049 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091050 3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091051 3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-D-ribo-hexopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091052 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-gulopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091053 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-fucopyranoside] C35H54O14 698.351356 NA MeJP NA NA +MJ091054 14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 3-(N-Succinoyl-L-argininoyl), 16-Ac C36H50N4O10 698.352693 NA MeJP NA NA +PJ018353 APPQMR C29H50N10O8S 698.3534 NA PeJP NA NA +PJ018354 PLHFW C37H46N8O6 698.3541 NA PeJP NA NA +PJ018355 GSSHRR C26H46N14O9 698.3573 NA PeJP NA NA +PJ018356 LLMHW C34H50N8O6S 698.3574 NA PeJP NA NA +PJ018357 SSSKKY C30H50N8O11 698.3599 NA PeJP NA NA +PJ018358 GGGGPLLE C30H50N8O11 698.36 NA PeJP NA NA +PJ018359 GVLHHH C31H46N12O7 698.3613 NA PeJP NA NA +PJ018360 LLQYY C35H50N6O9 698.3639 NA PeJP NA NA +PJ018361 GALLYY C35H50N6O9 698.364 NA PeJP NA NA +PJ018362 QKMHR C28H50N12O7S 698.3646 NA PeJP NA NA +PJ018363 APPCRR C28H50N12O7S 698.3647 NA PeJP NA NA +MJ091055 Dregeana 4; 1-Deacetoxy, 1,2-didehydro C39H54O11 698.366612 NA MeJP NA NA +MJ091056 Heudelottin C C39H54O11 698.366612 NA MeJP NA NA +PJ018364 PPLLEM C32H54N6O9S 698.3673 NA PeJP NA NA +PJ018365 GPLQER C29H50N10O10 698.3712 NA PeJP NA NA +MJ091057 11-Hydroxytetradecanoic acid, O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-6-deoxy-?-D-galactopyranoside] C32H58O16 698.372485 NA MeJP NA NA +PJ018366 LHHHR C30H46N14O6 698.3725 NA PeJP NA NA +PJ018367 APPTKW C34H50N8O8 698.3752 NA PeJP NA NA +PJ018368 CKHRR C27H50N14O6S 698.3759 NA PeJP NA NA +MJ091058 Delajacine; O14-De-Me, O14-Ac C38H54N2O10 698.377845 NA MeJP NA NA +PJ018369 SVLLMH C31H54N8O8S 698.3786 NA PeJP NA NA +PJ018370 AAPERR C28H50N12O9 698.3824 NA PeJP NA NA +PJ018371 PVLLEE C32H54N6O11 698.3851 NA PeJP NA NA +PJ018372 PLQRW C33H50N10O7 698.3864 NA PeJP NA NA +MJ091059 Marinobufagin; O3-(L-Argininylpimeloyl) C37H54N4O9 698.389079 NA MeJP NA NA +PJ018373 APPKMR C30H54N10O7S 698.3898 NA PeJP NA NA +PJ018374 PDRRR C27H50N14O8 698.3936 NA PeJP NA NA +PJ018375 PPTKKE C31H54N8O10 698.3963 NA PeJP NA NA +PJ018376 LLKYY C36H54N6O8 698.4003 NA PeJP NA NA +PJ018377 KKMHR C29H54N12O6S 698.401 NA PeJP NA NA +MJ091060 Onchitriol I; 13,15-Dipropanoyl, 3-Ac C40H58O10 698.402998 NA MeJP NA NA +PJ018378 SSLKKH C30H54N10O9 698.4075 NA PeJP NA NA +PJ018379 GPLKER C30H54N10O9 698.4076 NA PeJP NA NA +PJ018380 GPVLKW C35H54N8O7 698.4116 NA PeJP NA NA +PJ018381 PPVKKM C32H58N8O7S 698.415 NA PeJP NA NA +MJ091061 12-Oleanene-3,16,21,22,28-pentol, 21,22-Dibenzoyl C44H58O7 698.418254 NA MeJP NA NA +PJ018382 GPTLRR C29H54N12O8 698.4188 NA PeJP NA NA +PJ018383 PLKRW C34H54N10O6 698.4228 NA PeJP NA NA +MJ091062 1,3,16,24-Tetrahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid, 28-O-?-D-Glucopyranosyl ester C37H62O12 698.424127 NA MeJP NA NA +MJ091063 1,3,20,24-Tetrahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid, 28-O-?-D-Glucopyranosyl ester C37H62O12 698.424127 NA MeJP NA NA +MJ091064 1,3,22,24-Tetrahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid, 28-O-?-D-Glucopyranosyl ester C37H62O12 698.424127 NA MeJP NA NA +MJ091065 Laidlomycin C37H62O12 698.424127 NA MeJP NA NA +MJ091066 3,14-Dihydroxybufa-20,22-dienolide, 3-(Arginylsuberoyl) C38H58N4O8 698.425464 NA MeJP NA NA +PJ018384 PVVKKE C32H58N8O9 698.4327 NA PeJP NA NA +PJ018385 PPLLLF C37H58N6O7 698.4367 NA PeJP NA NA +MJ091067 Isosartortuic acid; Me ester C41H62O9 698.439383 NA MeJP NA NA +PJ018386 PLLLLM C34H62N6O7S 698.4401 NA PeJP NA NA +PJ018387 SPVLKR C31H58N10O8 698.4439 NA PeJP NA NA +PJ018388 GGALLLR C31H58N10O8 698.444 NA PeJP NA NA +PJ018389 AALLRR C30H58N12O7 698.4552 NA PeJP NA NA +PJ018390 VLLLLE C34H62N6O9 698.4579 NA PeJP NA NA +PJ018391 VLRRR C29H58N14O6 698.4664 NA PeJP NA NA +PJ018392 PTLLKK C33H62N8O8 698.4691 NA PeJP NA NA +PJ018393 GLLLKR C32H62N10O7 698.4803 NA PeJP NA NA +MJ091068 3',4'-Didehydro-1',2'-dihydro-?,?-caroten-1'-ol; O-L-Rhamnopyranoside C46H66O5 698.491025 NA MeJP NA NA +PJ018394 VVLLKK C34H66N8O7 698.5055 NA PeJP NA NA +HMDB07355 DG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB07380 DG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB07381 DG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB07408 DG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB07465 DG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB07494 DG(20:3(8Z,11Z,14Z)/22:2(13Z,16Z)/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB07522 DG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB07551 DG(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB07579 DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:0/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB07607 DG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB07634 DG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB07635 DG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB07661 DG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB07662 DG(22:2(13Z,16Z)/20:3(8Z,11Z,14Z)/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB07688 DG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB07716 DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB07745 DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:0/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB07831 DG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C45H78O5 698.5849 NA HMDB2010 NA NA +HMDB10374 CE(22:5(4Z,7Z,10Z,13Z,16Z)) C49H78O2 698.600159 NA HMDB2010 NA NA +HMDB10375 CE(22:5(7Z,10Z,13Z,16Z,19Z)) C49H78O2 698.600159 NA HMDB2010 NA NA +MJ091069 Polyprenol; Betulaprenol 10 C50H82O 698.636567 NA MeJP NA NA +PJ018395 GPCCCCD C23H37N7O10S4 699.1485 NA PeJP NA NA +PJ018396 CCNDDM C23H37N7O12S3 699.1663 NA PeJP NA NA +FL7AAIGL0039 Malvidin 3-glucoside-5-(6-acetylglucoside) C30H35O19 699.17725 - knapsack NA NA +PJ018397 GSCCCNN C22H37N9O11S3 699.1775 NA PeJP NA NA +PJ018398 GCCCEW C27H37N7O9S3 699.1815 NA PeJP NA NA +PJ018399 GSSCCDE C23H37N7O14S2 699.184 NA PeJP NA NA +PJ018400 GSPCCCM C24H41N7O9S4 699.1849 NA PeJP NA NA +PJ018401 CCCWW C31H37N7O6S3 699.1968 NA PeJP NA NA +PJ018402 SSCCDW C27H37N7O11S2 699.1993 NA PeJP NA NA +PJ018403 SSSSCDD C23H37N7O16S 699.2018 NA PeJP NA NA +PJ018404 SCNDMM C24H41N7O11S3 699.2026 NA PeJP NA NA +PJ018405 GSCCCLD C24H41N7O11S3 699.2027 NA PeJP NA NA +PJ018406 SCCCER C23H41N9O10S3 699.2139 NA PeJP NA NA +PJ018407 GCNDEY C27H37N7O13S 699.217 NA PeJP NA NA +PJ018408 GTCCMW C28H41N7O8S3 699.2179 NA PeJP NA NA +PJ018409 GSSSCEM C24H41N7O13S2 699.2204 NA PeJP NA NA +PJ018410 GCQMMM C25H45N7O8S4 699.2213 NA PeJP NA NA +PJ018411 SCCNHH C25H37N11O9S2 699.2217 NA PeJP NA NA +HMDB01902 Pteroyltriglutamic acid C29H33N9O12 699.22485 http://www.hmdb.ca/metabolites/HMDB01902 HMDB NA NA +HMDB01902 Pteroyltriglutamic acid C29H33N9O12 699.22485 HMDB01902 PFEM_hmdb_metabocards_official NA NA +HMDB01902 Pteroyltriglutamic acid C29H33N9O12 699.224854 NA HMDB2010 NA NA +MJ091070 Pteroylglutamic acid; Homologue (n = 3) C29H33N9O12 699.224867 NA MeJP NA NA +PJ018412 PCNDDH C26H37N9O12S 699.2283 NA PeJP NA NA +PJ018413 CNDYW C31H37N7O10S 699.2323 NA PeJP NA NA +PJ018414 GCCMMR C24H45N9O7S4 699.2325 NA PeJP NA NA +PJ018415 SSNDDY C27H37N7O15 699.2348 NA PeJP NA NA +PJ018416 SSSCMW C28H41N7O10S2 699.2357 NA PeJP NA NA +PJ018417 SSSSSDM C24H41N7O15S 699.2381 NA PeJP NA NA +PJ018418 SSNMMM C25H45N7O10S3 699.239 NA PeJP NA NA +PJ018419 EEEMY C29H41N5O13S 699.2422 NA PeJP NA NA +PJ018420 GNDEEH C26H37N9O14 699.246 NA PeJP NA NA +PJ018421 GCCDFR C27H41N9O9S2 699.2469 NA PeJP NA NA +PJ018422 STCCMR C24H45N9O9S3 699.2503 NA PeJP NA NA +PJ018423 CNMFW C32H41N7O7S2 699.2509 NA PeJP NA NA +MJ091071 Ipecosidic acid; N-De-Ac, N-(4-hydroxy-3-methoxy-E-cinnamoyl), Me ester C35H41NO14 699.252705 NA MeJP NA NA +MJ091072 Ipecosidic acid; N-De-Ac, N-(4-hydroxy-3-methoxy-Z-cinnamoyl), Me ester C35H41NO14 699.252705 NA MeJP NA NA +PJ018424 GSNEMY C28H41N7O12S 699.2534 NA PeJP NA NA +PJ018425 PCCCKF C29H45N7O7S3 699.2543 NA PeJP NA NA +PJ018426 GSSSTMM C25H45N7O12S2 699.2568 NA PeJP NA NA +PJ018427 SNNNDH C25H37N11O13 699.2573 NA PeJP NA NA +PJ018428 GCKMMM C26H49N7O7S4 699.2577 NA PeJP NA NA +MJ091073 Indopred C40H42ClNO8 699.259895 NA MeJP NA NA +PJ018429 NDEHW C30H37N9O11 699.2613 NA PeJP NA NA +PJ018430 GSCDRY C27H41N9O11S 699.2647 NA PeJP NA NA +MJ091074 1,4,6,8,9-Pentahydroxydihydro-?-agarofuran, 6-(3-Pyridinecarbonyl), 1,9-dibenzoyl, 4,8-di-Ac C39H41NO11 699.267961 NA MeJP NA NA +PJ018431 SNMYW C32H41N7O9S 699.2687 NA PeJP NA NA +PJ018432 SSSQEY C28H41N7O14 699.2712 NA PeJP NA NA +PJ018433 QQMMY C29H45N7O9S2 699.272 NA PeJP NA NA +PJ018434 GGGCLMY C29H45N7O9S2 699.2721 NA PeJP NA NA +PJ018435 SSSSTTM C25H45N7O14S 699.2745 NA PeJP NA NA +PJ018436 PEEYY C33H41N5O12 699.2752 NA PeJP NA NA +PJ018437 STCKMM C26H49N7O9S3 699.2754 NA PeJP NA NA +PJ018438 GNNQMH C26H41N11O10S 699.2759 NA PeJP NA NA +PJ018439 GDHWW C34H37N9O8 699.2765 NA PeJP NA NA +PJ018440 GPTCHW C31H41N9O8S 699.2799 NA PeJP NA NA +PJ018441 GTQEEH C27H41N9O13 699.2824 NA PeJP NA NA +PJ018442 CQMRY C28H45N9O8S2 699.2833 NA PeJP NA NA +PJ018443 CHFFF C36H41N7O6S 699.2839 NA PeJP NA NA +PJ018444 GSSTYW C32H41N7O11 699.2864 NA PeJP NA NA +PJ018445 GCNNHR C25H41N13O9S 699.2871 NA PeJP NA NA +MJ091075 2,3,5,7,9,15-Hexahydroxy-6(17),11-jatrophadien-14-one, 9-(3-Pyridinecarbonyl), 2,3,5,7,15-penta-Ac C36H45NO13 699.28909 NA MeJP NA NA +MJ091076 Aclacinomycin S C36H45NO13 699.28909 NA MeJP NA NA +PJ018446 GSDKMY C29H45N7O11S 699.2898 NA PeJP NA NA +PJ018447 SSNQQH C26H41N11O12 699.2936 NA PeJP NA NA +PJ018448 GSDEHR C26H41N11O12 699.2937 NA PeJP NA NA +PJ018449 CCRRY C27H45N11O7S2 699.2945 NA PeJP NA NA +PJ018450 TQEHW C31H41N9O10 699.2977 NA PeJP NA NA +PJ018451 GSSMRY C28H45N9O10S 699.301 NA PeJP NA NA +PJ018452 GGALDMH C28H45N9O10S 699.3011 NA PeJP NA NA +PJ018453 PPDWW C36H41N7O8 699.3017 NA PeJP NA NA +PJ018454 TCKYW C33H45N7O8S 699.305 NA PeJP NA NA +PJ018455 PPPTCW C33H45N7O8S 699.3051 NA PeJP NA NA +PJ018456 SSSKEY C29H45N7O13 699.3075 NA PeJP NA NA +PJ018457 GSSSSLY C29H45N7O13 699.3076 NA PeJP NA NA +PJ018458 QKMMY C30H49N7O8S2 699.3084 NA PeJP NA NA +PJ018459 SDHRW C30H41N11O9 699.3089 NA PeJP NA NA +PJ018460 LEEFY C34H45N5O11 699.3116 NA PeJP NA NA +PJ018461 QEMHR C27H45N11O9S 699.3123 NA PeJP NA NA +PJ018462 ATHWW C35H41N9O7 699.3129 NA PeJP NA NA +PJ018463 VQMHW C32H45N9O7S 699.3163 NA PeJP NA NA +PJ018464 SSSTRY C28H45N9O12 699.3188 NA PeJP NA NA +PJ018465 CKMRY C29H49N9O7S2 699.3197 NA PeJP NA NA +PJ018466 AAQHHH C29H41N13O8 699.3201 NA PeJP NA NA +PJ018467 GGGVHHH C29H41N13O8 699.3202 NA PeJP NA NA +PJ018468 APPTEW C33H45N7O10 699.3228 NA PeJP NA NA +PJ018469 CEHRR C26H45N13O8S 699.3235 NA PeJP NA NA +3639 NA YPFGFA~ 699.325 ACE inhibitor Inhouse_peptide NA peptide +MJ091077 Premyrsinol; 17-(3-Pyridinecarbonyl), 5-(2-methylpropanoyl), 3-propanoyl, 7,13-di-Ac C37H49NO12 699.325476 NA MeJP NA NA +PJ018470 GTTKMY C30H49N7O10S 699.3262 NA PeJP NA NA +PJ018471 AMHRW C31H45N11O6S 699.3275 NA PeJP NA NA +PJ018472 GTTEHR C27H45N11O11 699.33 NA PeJP NA NA +PJ018473 GGGGAPER C27H45N11O11 699.3301 NA PeJP NA NA +PJ018474 NHHHR C28H41N15O7 699.3314 NA PeJP NA NA +PJ018475 TKEHW C32H45N9O9 699.334 NA PeJP NA NA +PJ018476 GSTLHW C32H45N9O9 699.3341 NA PeJP NA NA +PJ018477 APPEMR C29H49N9O9S 699.3374 NA PeJP NA NA +PJ018478 GKFYW C37H45N7O7 699.3381 NA PeJP NA NA +PJ018479 QKMFF C34H49N7O7S 699.3414 NA PeJP NA NA +PJ018480 GPPLMW C34H49N7O7S 699.3415 NA PeJP NA NA +MJ091078 Adouetine Z C42H45N5O5 699.342069 NA MeJP NA NA +C09995 Adouetine Z C42H45N5O5 699.3421 NA KEGG NA NA +PJ018481 STTTKY C30H49N7O12 699.3439 NA PeJP NA NA +PJ018482 GGPVLEE C30H49N7O12 699.344 NA PeJP NA NA +PJ018483 KKMMY C31H53N7O7S2 699.3448 NA PeJP NA NA +PJ018484 TTHRW C31H45N11O8 699.3453 NA PeJP NA NA +PJ018485 LLEYY C35H49N5O10 699.348 NA PeJP NA NA +PJ018486 KEMHR C28H49N11O8S 699.3487 NA PeJP NA NA +PJ018487 LHHFF C36H45N9O6 699.3493 NA PeJP NA NA +PJ018488 VKMHW C33H49N9O6S 699.3527 NA PeJP NA NA +MJ091079 Antrimycin; Antrimycin B C29H49N9O11 699.355153 NA MeJP NA NA +MJ091080 Antrimycin; Antrimycin Cv C29H49N9O11 699.355153 NA MeJP NA NA +PJ018489 GPLEER C29H49N9O11 699.3552 NA PeJP NA NA +3420 NA GVYPHK 699.356 ACE inhibitor Inhouse_peptide NA peptide +PJ018490 GPPHHR C30H45N13O7 699.3565 NA PeJP NA NA +PJ018491 GPVLEW C34H49N7O9 699.3592 NA PeJP NA NA +PJ018492 TMHRR C27H49N13O7S 699.3599 NA PeJP NA NA +MJ091081 4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-benzoyl, 8-(E-3-hexenoyl) C38H53NO11 699.361861 NA MeJP NA NA +MJ091082 Icumazole A; 2'''-O-Pentofuranoside C38H53NO11 699.361861 NA MeJP NA NA +PJ018493 PPVKEM C31H53N7O9S 699.3626 NA PeJP NA NA +MJ091083 Lasiodine A C39H49N5O7 699.363198 NA MeJP NA NA +C10008 Lasiodine A C39H49N5O7 699.3632 NA KEGG NA NA +PJ018494 SSTLHR C28H49N11O10 699.3664 NA PeJP NA NA +MJ091084 Athlestatin C32H53N5O12 699.369072 NA MeJP NA NA +PJ018495 PLERW C33H49N9O8 699.3704 NA PeJP NA NA +MJ091085 ACE inhibitor peptide C 111 C33H49N9O8 699.370409 NA MeJP NA NA +PJ018496 GGGLLHF C33H49N9O8 699.3705 NA PeJP NA NA +MJ091086 Delsemine C37H53N3O10 699.373094 NA MeJP NA NA +PJ018497 SPPLMR C30H53N9O8S 699.3738 NA PeJP NA NA +PJ018498 PVLWW C38H49N7O6 699.3745 NA PeJP NA NA +PJ018499 ASPNRR C27H49N13O9 699.3776 NA PeJP NA NA +PJ018500 GSPQRR C27H49N13O9 699.3777 NA PeJP NA NA +PJ018501 KKMFF C35H53N7O6S 699.3778 NA PeJP NA NA +8305 Antioxidative peptide QLGNLGV 699.3789 Medium chain acyl carnitines ;SYN:Decanoylcarnitine; Decanoyl-L-carnitineH2Blood; Urine Inhouse_peptide NA peptide +PJ018502 PVVKEE C31H53N7O11 699.3803 NA PeJP NA NA +PJ018503 PNKRW C32H49N11O7 699.3817 NA PeJP NA NA +PJ018504 GCKKKH C29H53N11O7S 699.3851 NA PeJP NA NA +PJ018505 SPVLER C30H53N9O10 699.3916 NA PeJP NA NA +PJ018506 APTLLW C35H53N7O8 699.3956 NA PeJP NA NA +PJ018507 PVLLQM C32H57N7O8S 699.399 NA PeJP NA NA +PJ018508 GPDKKR C29H53N11O9 699.4028 NA PeJP NA NA +PJ018509 AAPKKW C34H53N9O7 699.4068 NA PeJP NA NA +PJ018510 APLLMR C31H57N9O7S 699.4102 NA PeJP NA NA +PJ018511 GSPKRR C28H53N13O8 699.414 NA PeJP NA NA +PJ018512 GGAALRR C28H53N13O8 699.4141 NA PeJP NA NA +PJ018513 PTLLKE C32H57N7O10 699.4167 NA PeJP NA NA +PJ018514 LKHFR C33H53N11O6 699.4181 NA PeJP NA NA +MJ091087 Sporeamicin A; 3''-O-De-Me C36H61NO12 699.419376 NA MeJP NA NA +MJ091088 Sporeamicin A; 3'-N-De-Me C36H61NO12 699.419376 NA MeJP NA NA +PJ018515 VNRRR C27H53N15O7 699.4253 NA PeJP NA NA +PJ018516 SPLQKK C31H57N9O9 699.4279 NA PeJP NA NA +PJ018517 GLLLER C31H57N9O9 699.428 NA PeJP NA NA +PJ018518 GVLLLW C36H57N7O7 699.432 NA PeJP NA NA +PJ018519 PVLLKM C33H61N7O7S 699.4354 NA PeJP NA NA +PJ018520 GRRRR C26H53N17O6 699.4365 NA PeJP NA NA +PJ018521 APTKKR C30H57N11O8 699.4392 NA PeJP NA NA +PJ018522 LLLRW C35H57N9O6 699.4432 NA PeJP NA NA +PJ018523 LQKRR C29H57N13O7 699.4504 NA PeJP NA NA +PJ018524 VVLLKE C33H61N7O9 699.4531 NA PeJP NA NA +PJ018525 SVLLLR C32H61N9O8 699.4643 NA PeJP NA NA +PJ018526 GAALLKK C32H61N9O8 699.4644 NA PeJP NA NA +PJ018527 GVLKKR C31H61N11O7 699.4756 NA PeJP NA NA +MJ091089 Pepstatins; Pepstatin A, Me ester C35H65N5O9 699.478228 NA MeJP NA NA +MJ091090 Pepstatins; Pepstatin B C35H65N5O9 699.478228 NA MeJP NA NA +MJ091091 Pepstatins; Pepstatin C C35H65N5O9 699.478228 NA MeJP NA NA +HMDB08896 PE(15:0/18:3(6Z,9Z,12Z)) C38H70NO8P 699.483887 NA HMDB2010 NA NA +HMDB08897 PE(15:0/18:3(9Z,12Z,15Z)) C38H70NO8P 699.483887 NA HMDB2010 NA NA +HMDB09120 PE(18:3(6Z,9Z,12Z)/15:0) C38H70NO8P 699.483887 NA HMDB2010 NA NA +HMDB09153 PE(18:3(9Z,12Z,15Z)/15:0) C38H70NO8P 699.483887 NA HMDB2010 NA NA +PJ018528 LKKRR C30H61N13O6 699.4868 NA PeJP NA NA +PJ018529 TLLLLK C34H65N7O8 699.4895 NA PeJP NA NA +PJ018530 ALLKKK C33H65N9O7 699.5007 NA PeJP NA NA +HMDB08984 PE(16:1(9Z)/P-18:1(11Z)) C39H74NO7P 699.520264 NA HMDB2010 NA NA +HMDB08985 PE(16:1(9Z)/P-18:1(9Z)) C39H74NO7P 699.520264 NA HMDB2010 NA NA +HMDB09114 PE(18:2(9Z,12Z)/P-16:0) C39H74NO7P 699.520264 NA HMDB2010 NA NA +HMDB11343 PE(P-16:0/18:2(9Z,12Z)) C39H74NO7P 699.520264 NA HMDB2010 NA NA +HMDB11405 PE(P-18:1(11Z)/16:1(9Z)) C39H74NO7P 699.520264 NA HMDB2010 NA NA +HMDB11438 PE(P-18:1(9Z)/16:1(9Z)) C39H74NO7P 699.520264 NA HMDB2010 NA NA +MJ091092 2-Amino-4,8-nonadecadiene-1,3-diol, N-(2R-Hydroxytetradecanoyl), 1-O-?-D-glucopyranoside C39H73NO9 699.528532 NA MeJP NA NA +MJ091093 2-Amino-4,8-octadecadiene-1,3-diol, N-(2R-Hydroxypentadecanoyl), 1-O-?-D-glucopyranoside C39H73NO9 699.528532 NA MeJP NA NA +MJ091094 2,2',3,4',5,5'-Hexabromo-1,3'-bi-1H-indole C16H6Br6N2 699.563124 NA MeJP NA NA +HMDB04971 Glucosylceramide (d18:1/16:0) C40H77NO8 699.56494 http://www.hmdb.ca/metabolites/HMDB04971 HMDB NA NA +HMDB04971 Glucosylceramide (d18:1/16:0) C40H77NO8 699.56494 HMDB04971 PFEM_hmdb_metabocards_official NA NA +HMDB04971 Glucosylceramide (d18:1/16:0) C40H77NO8 699.564941 NA HMDB2010 NA NA +HMDB10708 Galactosylceramide (d18:1/16:0) C40H77NO8 699.564941 NA HMDB2010 NA NA +MJ091095 Ethyl cartrizoate C15H15I3N2O6 699.806416 NA MeJP NA NA +7014 synthetic peptide from alpha-gliadin PQYSQPQQPISQ 699.8285 MH2+ Inhouse_peptide NA peptide +3193 crabolin-like from skin of frog Rana esculenta FLPLAIGLLGKLF~ 699.9405 MH2+ Inhouse_peptide NA peptide +3876 vespa-like peptide from R, Esculenta FLPLIAGLLGKLF~ 699.9405 MH2+ Inhouse_peptide NA peptide +MJ091096 Skyrin, 2-O-?-D-Glucopyranoside C36H28O15 700.14282 NA MeJP NA NA +MJ091097 Theaflavate B C36H28O15 700.14282 NA MeJP NA NA +PJ018531 CCDDDM C23H36N6O13S3 700.1503 NA PeJP NA NA +PJ018532 GSCCCND C22H36N8O12S3 700.1615 NA PeJP NA NA +MJ091098 Isoquercitrin; O''-D-Xylosyl, O''-benzoyl C33H32O17 700.163949 NA MeJP NA NA +MJ091099 Paulomycin E C29H36N2O16S 700.178553 NA MeJP NA NA +PJ018533 CCCNQM C23H40N8O9S4 700.1801 NA PeJP NA NA +PJ018534 GGGACCCM C23H40N8O9S4 700.1802 NA PeJP NA NA +PJ018535 SCDDMM C24H40N6O12S3 700.1867 NA PeJP NA NA +PJ018536 CCCCNR C22H40N10O8S4 700.1914 NA PeJP NA NA +PJ018537 GSSCCNM C23H40N8O11S3 700.1979 NA PeJP NA NA +MJ091100 6-Glucosyl-4',5,7-trihydroxy-6-(4-hydroxybenzyl)flavone; 4'-O-?-D-Glucopyranoside C34H36O16 700.200335 NA MeJP NA NA +PJ018538 GCDDEY C27H36N6O14S 700.2011 NA PeJP NA NA +PJ018539 PCCCEF C28H40N6O9S3 700.2019 NA PeJP NA NA +PJ018540 GCEMMM C25H44N6O9S4 700.2053 NA PeJP NA NA +PJ018541 SCCDHH C25H36N10O10S2 700.2058 NA PeJP NA NA +PJ018542 PCDDDH C26H36N8O13S 700.2123 NA PeJP NA NA +MJ091101 Julichrome Q1.6 C38H36O13 700.215591 NA MeJP NA NA +PJ018543 SSSSCCQ C23H40N8O13S2 700.2156 NA PeJP NA NA +PJ018544 GGSSSTCC C23H40N8O13S2 700.2157 NA PeJP NA NA +PJ018545 CDDYW C31H36N6O11S 700.2163 NA PeJP NA NA +PJ018546 CCCNKM C24H44N8O8S4 700.2165 NA PeJP NA NA +PJ018547 SSDDDY C27H36N6O16 700.2188 NA PeJP NA NA +PJ018548 SPCCEY C28H40N6O11S2 700.2197 NA PeJP NA NA +PJ018549 CMMMW C29H44N6O6S4 700.2205 NA PeJP NA NA +MJ091102 Catalpol; 6-O-[?-D-Glucopyranosyl-(1?4)-4-hydroxy-3-methoxy-E-cinnamoyl] C31H40O18 700.221464 NA MeJP NA NA +PJ018550 SSDMMM C25H44N6O11S3 700.223 NA PeJP NA NA +PJ018551 ACCMHH C26H40N10O7S3 700.2244 NA PeJP NA NA +PJ018552 GDDEEH C26H36N8O15 700.2301 NA PeJP NA NA +PJ018553 GCNNMY C27H40N8O10S2 700.2309 NA PeJP NA NA +PJ018554 GSSSSSSC C23H40N8O15S 700.2334 NA PeJP NA NA +PJ018555 GSTCCCK C24H44N8O10S3 700.2343 NA PeJP NA NA +PJ018556 CDMFW C32H40N6O8S2 700.2349 NA PeJP NA NA +PJ018557 GSDEMY C28H40N6O13S 700.2374 NA PeJP NA NA +PJ018558 GPCMMY C29H44N6O8S3 700.2383 NA PeJP NA NA +PJ018559 SNNDDH C25H36N10O14 700.2413 NA PeJP NA NA +PJ018560 GTMMMM C26H48N6O8S4 700.2417 NA PeJP NA NA +PJ018561 SSCMHH C26H40N10O9S2 700.2421 NA PeJP NA NA +PJ018562 GGGAPCCH C26H40N10O9S2 700.2422 NA PeJP NA NA +PJ018563 DDEHW C30H36N8O12 700.2453 NA PeJP NA NA +PJ018564 SSCNQY C27H40N8O12S 700.2487 NA PeJP NA NA +MJ091103 6-Chloro-11,20-epoxy-2,8,9,12,13,14-hexahydroxy-5(16)-briaren-18,7-olide, 13-(3-Methylbutanoyl), 2,9,12,14-tetra-Ac C33H45ClO14 700.249783 NA MeJP NA NA +PJ018565 SSSSCCK C24H44N8O12S2 700.252 NA PeJP NA NA +PJ018566 SDMYW C32H40N6O10S 700.2527 NA PeJP NA NA +PJ018567 SSSEEY C28H40N6O15 700.2552 NA PeJP NA NA +PJ018568 QEMMY C29H44N6O10S2 700.2561 NA PeJP NA NA +MJ091104 Bruceolide; 15-O-(3-Hydroxy-3-methylbutanoyl), 3-O-?-D-glucopyranoside C32H44O17 700.257849 NA MeJP NA NA +PJ018569 STTMMM C26H48N6O10S3 700.2594 NA PeJP NA NA +PJ018570 GNNEMH C26H40N10O11S 700.2599 NA PeJP NA NA +C09935 Catheduline E2 C38H40N2O11 700.2632 NA KEGG NA NA +MJ091105 1,2,8,9,14-Pentahydroxydihydro-?-agarofuran, 8,14-Bis(3-pyridinecarbonyl), 9-benzoyl, 1,2-di-Ac C38H40N2O11 700.26321 NA MeJP NA NA +PJ018571 GCNNFF C31H40N8O9S 700.2639 NA PeJP NA NA +PJ018572 GSSSSNY C27H40N8O14 700.2664 NA PeJP NA NA +PJ018573 CEMRY C28H44N8O9S2 700.2673 NA PeJP NA NA +PJ018574 GSPDYY C32H40N6O12 700.2704 NA PeJP NA NA +PJ018575 GGEEFY C32H40N6O12 700.2705 NA PeJP NA NA +PJ018576 GCNDHR C25H40N12O10S 700.2711 NA PeJP NA NA +PJ018577 GGGCDHR C25H40N12O10S 700.2712 NA PeJP NA NA +PJ018578 AMMYW C33H44N6O7S2 700.2713 NA PeJP NA NA +MJ091106 Taccalonolide B; 7-Ketone, 15-Ac C36H44O14 700.273106 NA MeJP NA NA +PJ018579 GTTEMY C29H44N6O12S 700.2738 NA PeJP NA NA +HMDB01957 Pentacarboxyl porphyrinogen III C37H40N4O10 700.27441 http://www.hmdb.ca/metabolites/HMDB01957 HMDB NA NA +HMDB01957 Pentacarboxyl porphyrinogen III C37H40N4O10 700.27441 HMDB01957 PFEM_hmdb_metabocards_official NA NA +HMDB01957 Pentacarboxyl porphyrinogen III C37H40N4O10 700.274414 NA HMDB2010 NA NA +PJ018580 AAMMMF C30H48N6O7S3 700.2747 NA PeJP NA NA +PJ018581 NNMHW C30H40N10O8S 700.2751 NA PeJP NA NA +PJ018582 GGNMHW C30H40N10O8S 700.2752 NA PeJP NA NA +PJ018583 SSNQEH C26H40N10O13 700.2777 NA PeJP NA NA +PJ018584 PCCNKH C27H44N10O8S2 700.2785 NA PeJP NA NA +PJ018585 TEEHW C31H40N8O11 700.2817 NA PeJP NA NA +PJ018586 PMMHW C32H44N8O6S2 700.2825 NA PeJP NA NA +PJ018587 SSCNKY C28H44N8O11S 700.285 NA PeJP NA NA +PJ018588 GGSSCKY C28H44N8O11S 700.2851 NA PeJP NA NA +PJ018589 GEFYW C36H40N6O9 700.2857 NA PeJP NA NA +PJ018590 APCHHH C29H40N12O7S 700.2864 NA PeJP NA NA +PJ018591 TTMYW C33H44N6O9S 700.2891 NA PeJP NA NA +PJ018592 STTTEY C29H44N6O14 700.2916 NA PeJP NA NA +PJ018593 KEMMY C30H48N6O9S2 700.2924 NA PeJP NA NA +PJ018594 GSSQHW C30H40N10O10 700.2929 NA PeJP NA NA +MJ091107 Shimofuridin A C34H44N4O12 700.295572 NA MeJP NA NA +PJ018595 EEMHR C27H44N10O10S 700.2963 NA PeJP NA NA +PJ018596 PDHFW C35H40N8O8 700.2969 NA PeJP NA NA +PJ018597 VEMHW C32H44N8O8S 700.3003 NA PeJP NA NA +PJ018598 FYWW C40H40N6O6 700.301 NA PeJP NA NA +PJ018599 SSLEEH C28H44N8O13 700.3028 NA PeJP NA NA +PJ018600 TMMRY C29H48N8O8S2 700.3037 NA PeJP NA NA +PJ018601 SSPHHH C29H40N12O9 700.3041 NA PeJP NA NA +PJ018602 AAEHHH C29H40N12O9 700.3042 NA PeJP NA NA +PJ018603 AMFFW C37H44N6O6S 700.3043 NA PeJP NA NA +PJ018604 VQEYY C33H44N6O11 700.3068 NA PeJP NA NA +PJ018605 GSNMHR C26H44N12O9S 700.3075 NA PeJP NA NA +PJ018606 NHHFF C34H40N10O7 700.3082 NA PeJP NA NA +MJ091108 3,5,8,9,10,14,15-Pepluaneheptol, 3-Benzoyl, 5,8,9,10,14-penta-Ac C37H48O13 700.309491 NA MeJP NA NA +MJ091109 Zaragozic acid C; 6'-Demethyl, 4',5'-dihydro, O-de-Ac C37H48O13 700.309491 NA MeJP NA NA +PJ018607 SSTLMY C30H48N6O11S 700.3102 NA PeJP NA NA +PJ018608 CQKHW C31H44N10O7S 700.3115 NA PeJP NA NA +PJ018609 GACKHW C31H44N10O7S 700.3116 NA PeJP NA NA +PJ018610 APNDER C27H44N10O12 700.314 NA PeJP NA NA +MJ091110 Streptomycin; Isonicotinoyl hydrazone C27H44N10O12 700.314016 NA MeJP NA NA +PJ018611 GPNEER C27H44N10O12 700.3141 NA PeJP NA NA +PJ018612 DHHHR C28H40N14O8 700.3154 NA PeJP NA NA +PJ018613 AAPQEW C32H44N8O10 700.3181 NA PeJP NA NA +MJ091111 Alldimycin B C36H48N2O12 700.320725 NA MeJP NA NA +MJ091112 Rhodomycin A C36H48N2O12 700.320725 NA MeJP NA NA +MJ091113 ?2-Rhodomycin-Roa2 C36H48N2O12 700.320725 NA MeJP NA NA +PJ018614 ATLEMH C29H48N8O10S 700.3214 NA PeJP NA NA +PJ018615 GGAAPPTM C29H48N8O10S 700.3215 NA PeJP NA NA +PJ018616 GLYYW C37H44N6O8 700.3221 NA PeJP NA NA +MJ091114 Nimbolicin C41H48O10 700.324747 NA MeJP NA NA +PJ018617 SSSQHR C26H44N12O11 700.3253 NA PeJP NA NA +PJ018618 PKMYY C34H48N6O8S 700.3254 NA PeJP NA NA +PJ018619 GALMFY C34H48N6O8S 700.3255 NA PeJP NA NA +MJ091115 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 4,10-di-Ac, 7-O-(triethylsilyl) C37H52O11Si 700.327889 NA MeJP NA NA +PJ018620 PVVEEE C30H48N6O13 700.328 NA PeJP NA NA +PJ018621 PNERW C31H44N10O9 700.3293 NA PeJP NA NA +MJ091116 Posaconazole C37H42F2N8O4 700.329708 NA MeJP NA NA +3719 NA WWPRG 700.332 ACE inhibitor Inhouse_peptide NA peptide +PJ018622 SPPNMR C28H48N10O9S 700.3327 NA PeJP NA NA +PJ018623 PVNWW C36H44N8O7 700.3333 NA PeJP NA NA +PJ018624 APPCKW C33H48N8O7S 700.3367 NA PeJP NA NA +PJ018625 TTTLEH C29H48N8O12 700.3392 NA PeJP NA NA +PJ018626 GLLMMH C30H52N8O7S2 700.3401 NA PeJP NA NA +PJ018627 NQHFR C30H44N12O8 700.3405 NA PeJP NA NA +PJ018628 VKEYY C34H48N6O10 700.3432 NA PeJP NA NA +PJ018629 GTCKHR C27H48N12O8S 700.3439 NA PeJP NA NA +PJ018630 GPRWW C35H44N10O6 700.3446 NA PeJP NA NA +MJ091117 1,3,7,11,12-Pentahydroxy-14-meliacen-28-oic acid, 12-(2-Methylbutanoyl), 1,7,11-tri-Ac, Me ester C38H52O12 700.345877 NA MeJP NA NA +MJ091118 Cholestane-3,6,12,21-tetrol, 12-O-?-D-Glucopyranoside, 3-sulfate, Na salt C33H57NaO12S 700.346842 NA MeJP NA NA +PJ018631 CKKHW C32H48N10O6S 700.3479 NA PeJP NA NA +PJ018632 GPDKER C28H48N10O11 700.3504 NA PeJP NA NA +PJ018633 GGGGGAPTK C28H48N10O11 700.3505 NA PeJP NA NA +PJ018634 SSPPKW C33H48N8O9 700.3544 NA PeJP NA NA +PJ018635 AAPKEW C33H48N8O9 700.3545 NA PeJP NA NA +C08668 Cashmiradelphine C37H52N2O11 700.3571 NA KEGG NA NA +MJ091119 Puberaconitine; Me ester C37H52N2O11 700.35711 NA MeJP NA NA +MJ091120 Puberaconitine; O8-Me C37H52N2O11 700.35711 NA MeJP NA NA +PJ018636 STLLMH C30H52N8O9S 700.3578 NA PeJP NA NA +PJ018637 PKFFY C38H48N6O7 700.3585 NA PeJP NA NA +MJ091121 Maingayone C42H52O9 700.361133 NA MeJP NA NA +PJ018638 GSPERR C27H48N12O10 700.3617 NA PeJP NA NA +PJ018639 LKMFY C35H52N6O7S 700.3618 NA PeJP NA NA +PJ018640 PPPLMF C35H52N6O7S 700.3619 NA PeJP NA NA +MJ091122 Owerrine C43H48N4O5 700.36247 NA MeJP NA NA +PJ018641 PTLLEE C31H52N6O12 700.3644 NA PeJP NA NA +PJ018642 PPLLMM C32H56N6O7S2 700.3652 NA PeJP NA NA +PJ018643 PDKRW C32H48N10O8 700.3657 NA PeJP NA NA +C15678 Chalcomycin C35H56O14 700.367 NA KEGG NA NA +MJ091123 1,2,3,14,20,22,25-Heptahydroxycholest-7-en-6-one, 25-Ac, 22-O-?-D-galactopyranoside C35H56O14 700.367006 NA MeJP NA NA +MJ091124 Chalcomycin C35H56O14 700.367006 NA MeJP NA NA +MJ091125 Bufotalin; 3-Argininylsuccinoyl C36H52N4O10 700.368343 NA MeJP NA NA +PJ018644 GPLQMR C29H52N10O8S 700.3691 NA PeJP NA NA +PJ018645 VLHFW C37H48N8O6 700.3697 NA PeJP NA NA +2697 NA GRVRDQIMLSLGG 700.37115 MH2+ Inhouse_peptide NA peptide +PJ018646 NQQRR C26H48N14O9 700.3729 NA PeJP NA NA +PJ018647 APKKEE C30H52N8O11 700.3756 NA PeJP NA NA +PJ018648 SPRRW C31H48N12O7 700.3769 NA PeJP NA NA +PJ018649 PPVLEF C35H52N6O9 700.3796 NA PeJP NA NA +PJ018650 AAPMRR C28H52N12O7S 700.3803 NA PeJP NA NA +MJ091126 Antibiotic VM 44866; 23?-(2-Methylpropanoyloxy), 13?-hydroxy, 5-Me ether C39H56O11 700.382262 NA MeJP NA NA +PJ018651 PVLLEM C32H56N6O9S 700.383 NA PeJP NA NA +PJ018652 APTKER C29H52N10O10 700.3868 NA PeJP NA NA +PJ018653 GPTLKW C34H52N8O8 700.3908 NA PeJP NA NA +PJ018654 GGGVLLW C34H52N8O8 700.3909 NA PeJP NA NA +MJ091127 Leucascandrolide A C38H56N2O10 700.393496 NA MeJP NA NA +PJ018655 PPTKKM C31H56N8O8S 700.3942 NA PeJP NA NA +PJ018656 LKFFF C39H52N6O6 700.3949 NA PeJP NA NA +MJ091128 Methylenediboviquinone-3,3 C43H56O8 700.397518 NA MeJP NA NA +PJ018657 LQERR C28H52N12O9 700.398 NA PeJP NA NA +PJ018658 GALERR C28H52N12O9 700.3981 NA PeJP NA NA +PJ018659 VVLLEE C32H56N6O11 700.4007 NA PeJP NA NA +PJ018660 VLQRW C33H52N10O7 700.4021 NA PeJP NA NA +MJ091129 3,11,14-Trihydroxybufa-20,22-dienolide, 3-Pimeloylarginine ester C37H56N4O9 700.404729 NA MeJP NA NA +PJ018661 GPLKMR C30H56N10O7S 700.4055 NA PeJP NA NA +PJ018662 VDRRR C27H52N14O8 700.4093 NA PeJP NA NA +PJ018663 SPLKKE C31H56N8O10 700.412 NA PeJP NA NA +PJ018664 ALRRW C32H52N12O6 700.4133 NA PeJP NA NA +PJ018665 PPVLLY C36H56N6O8 700.416 NA PeJP NA NA +MJ091130 22,23-Dihydroxymilbemycin ?3; O5-Me, 23-O-(2-methylhexanoyl) C40H60O10 700.418648 NA MeJP NA NA +PJ018666 GVLKER C30H56N10O9 700.4232 NA PeJP NA NA +PJ018667 AALLKW C35H56N8O7 700.4272 NA PeJP NA NA +PJ018668 PVVKKM C32H60N8O7S 700.4306 NA PeJP NA NA +PJ018669 LKERR C29H56N12O8 700.4344 NA PeJP NA NA +PJ018670 GGGVKKR C29H56N12O8 700.4345 NA PeJP NA NA +PJ018671 TLLLLE C33H60N6O10 700.4371 NA PeJP NA NA +PJ018672 VLKRW C34H56N10O6 700.4385 NA PeJP NA NA +PJ018673 TLRRR C28H56N14O7 700.4457 NA PeJP NA NA +PJ018674 ALLKKE C32H60N8O9 700.4484 NA PeJP NA NA +PJ018675 PVLLLF C37H60N6O7 700.4524 NA PeJP NA NA +MJ091131 Dactylfungin A C41H64O9 700.455033 NA MeJP NA NA +PJ018676 VLLLLM C34H64N6O7S 700.4558 NA PeJP NA NA +PJ018677 ATLLKR C31H60N10O8 700.4596 NA PeJP NA NA +PJ018678 AAKKKR C30H60N12O7 700.4708 NA PeJP NA NA +MJ091132 2,6,10,15,19,23-Hexamethyl-2,6,10,12,14,18,22-tetracosaheptaene; 10,11,12,13,14,15,22,23-Octahydro, 10,11,14,15,23-pentahydroxy, 14-Ac, 11-O-?-D-mannopyranoside C38H68O11 700.476163 NA MeJP NA NA +MJ091133 Inostamycin C38H68O11 700.476163 NA MeJP NA NA +PJ018679 SLLLKK C33H64N8O8 700.4847 NA PeJP NA NA +PJ018680 GLKKKK C32H64N10O7 700.496 NA PeJP NA NA +HMDB00636 Dioleoylphosphatidic acid C39H73O8P 700.50433 http://www.hmdb.ca/metabolites/HMDB00636 HMDB NA NA +HMDB00636 Dioleoylphosphatidic acid C39H73O8P 700.50433 HMDB00636 PFEM_hmdb_metabocards_official NA NA +HMDB07861 PA(18:0/18:2(9Z,12Z)) C39H73O8P 700.504333 NA HMDB2010 NA NA +HMDB07862 PA(18:1(11Z)/18:1(11Z)) C39H73O8P 700.504333 NA HMDB2010 NA NA +HMDB07863 PA(18:1(11Z)/18:1(9Z)) C39H73O8P 700.504333 NA HMDB2010 NA NA +HMDB07864 PA(18:1(9Z)/18:1(11Z)) C39H73O8P 700.504333 NA HMDB2010 NA NA +HMDB07865 PA(18:1(9Z)/18:1(9Z)) C39H73O8P 700.504333 NA HMDB2010 NA NA +MJ091134 1,2-Di-O-acylglycerols; Glycerol 1-(9Z-hexadecenoate) 2-tetradecanoate, 3-O-?-D-Galactopyranoside (2S-) C39H72O10 700.512548 NA MeJP NA NA +HMDB13464 SM(d18:0/16:1(9Z)) C39H77N2O6P 700.551941 NA HMDB2010 NA NA +MJ091135 Crasserides; 14-Methylpentadecanoylcrasseride C41H80O8 700.585319 NA MeJP NA NA +HMDB07297 DG(18:3(6Z,9Z,12Z)/24:1(15Z)/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB07326 DG(18:3(9Z,12Z,15Z)/24:1(15Z)/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB07354 DG(18:4(6Z,9Z,12Z,15Z)/24:0/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB07379 DG(20:0/22:4(7Z,10Z,13Z,16Z)/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB07436 DG(20:2(11Z,14Z)/22:2(13Z,16Z)/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB07464 DG(20:3(5Z,8Z,11Z)/22:1(13Z)/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB07493 DG(20:3(8Z,11Z,14Z)/22:1(13Z)/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB07521 DG(20:4(5Z,8Z,11Z,14Z)/22:0/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB07550 DG(20:4(8Z,11Z,14Z,17Z)/22:0/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB07605 DG(22:0/20:4(5Z,8Z,11Z,14Z)/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB07606 DG(22:0/20:4(8Z,11Z,14Z,17Z)/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB07632 DG(22:1(13Z)/20:3(5Z,8Z,11Z)/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB07633 DG(22:1(13Z)/20:3(8Z,11Z,14Z)/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB07660 DG(22:2(13Z,16Z)/20:2(11Z,14Z)/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB07687 DG(22:4(7Z,10Z,13Z,16Z)/20:0/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB07802 DG(24:0/18:4(6Z,9Z,12Z,15Z)/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB07829 DG(24:1(15Z)/18:3(6Z,9Z,12Z)/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB07830 DG(24:1(15Z)/18:3(9Z,12Z,15Z)/0:0) C45H80O5 700.600586 NA HMDB2010 NA NA +HMDB06729 Cholesteryl docosatetraenoic acid C49H80O2 700.61584 http://www.hmdb.ca/metabolites/HMDB06729 HMDB NA NA +HMDB06729 Cholesteryl docosatetraenoic acid C49H80O2 700.61584 HMDB06729 PFEM_hmdb_metabocards_official NA NA +HMDB06729 CE(22:4(7Z,10Z,13Z,16Z) C49H80O2 700.615845 NA HMDB2010 NA NA +3660 NA EIPKTITGSETNL 700.85945 MH2+ Inhouse_peptide NA peptide +3672 NA CMGLSLRPWMLCAK 700.8744 MH2+ Inhouse_peptide NA peptide +MJ091136 Thuringiensin C22H32N5O19P 701.14291 NA MeJP NA NA +PJ018681 GSCCCDD C22H35N7O13S3 701.1455 NA PeJP NA NA +PJ018682 APCCCCC C23H39N7O8S5 701.1464 NA PeJP NA NA +PJ018683 SSPCCCC C23H39N7O10S4 701.1641 NA PeJP NA NA +PJ018684 CCCNEM C23H39N7O10S4 701.1642 NA PeJP NA NA +PJ018685 CCCCDR C22H39N9O9S4 701.1754 NA PeJP NA NA +MJ091137 Chlorphenoctium(1+); 4,4'-Diaminostilbene-2,2'-disulfonate C31H41Cl2N3O7S2 701.176297 NA MeJP NA NA +PJ018686 GCCCMW C27H39N7O7S4 701.1794 NA PeJP NA NA +PJ018687 GSSCCDM C23H39N7O12S3 701.1819 NA PeJP NA NA +PJ018688 STCCCW C27H39N7O9S3 701.1972 NA PeJP NA NA +PJ018689 SSSSCCE C23H39N7O14S2 701.1997 NA PeJP NA NA +PJ018690 SCCQMM C24H43N7O9S4 701.2005 NA PeJP NA NA +PJ018691 SCCCMR C23H43N9O8S4 701.2118 NA PeJP NA NA +PJ018692 GCNDMY C27H39N7O11S2 701.2149 NA PeJP NA NA +PJ018693 GSSSCMM C24H43N7O11S3 701.2183 NA PeJP NA NA +PJ018694 SNDDDH C25H35N9O15 701.2253 NA PeJP NA NA +PJ018695 PCCNEH C26H39N9O10S2 701.2262 NA PeJP NA NA +PJ018696 CCQYW C31H39N7O8S2 701.2302 NA PeJP NA NA +MJ091138 Neobudofficide B C34H40NO15(+) 701.231969 NA MeJP NA NA +PJ018697 SSCNEY C27H39N7O13S 701.2327 NA PeJP NA NA +PJ018698 GCNMMF C28H43N7O8S3 701.2336 NA PeJP NA NA +PJ018699 SSSSTCM C24H43N7O13S2 701.236 NA PeJP NA NA +PJ018700 SCCKMM C25H47N7O8S4 701.2369 NA PeJP NA NA +MJ091139 Enacyloxin IIa C33H45Cl2NO11 701.236966 NA MeJP NA NA +MJ091140 Enacyloxin IIb C33H45Cl2NO11 701.236966 NA MeJP NA NA +PJ018701 EEMMY C29H43N5O11S2 701.2401 NA PeJP NA NA +PJ018702 GPCCHW C30H39N9O7S2 701.2414 NA PeJP NA NA +PJ018703 GNDEMH C26H39N9O12S 701.2439 NA PeJP NA NA +PJ018704 ACCCFR C27H43N9O7S3 701.2448 NA PeJP NA NA +PJ018705 GSSCYW C31H39N7O10S 701.2479 NA PeJP NA NA +PJ018706 GSSSSDY C27H39N7O15 701.2504 NA PeJP NA NA +PJ018707 GSPPDDD C27H39N7O15 701.2505 NA PeJP NA NA +PJ018708 GSNMMY C28H43N7O10S2 701.2513 NA PeJP NA NA +PJ018709 DEEFY C32H39N5O13 701.2545 NA PeJP NA NA +PJ018710 SCNNQH C25H39N11O11S 701.2551 NA PeJP NA NA +PJ018711 GCDDHR C25H39N11O11S 701.2552 NA PeJP NA NA +PJ018712 NDMHW C30H39N9O9S 701.2592 NA PeJP NA NA +PJ018713 SSNEEH C26H39N9O14 701.2617 NA PeJP NA NA +PJ018714 GTCCRY C27H43N9O9S2 701.2625 NA PeJP NA NA +PJ018715 PCCDKH C27H43N9O9S2 701.2626 NA PeJP NA NA +PJ018716 NNEYY C31H39N7O12 701.2657 NA PeJP NA NA +PJ018717 CCKYW C32H43N7O7S2 701.2666 NA PeJP NA NA +MJ091141 Musettamycin; N-De-Me C35H43NO14 701.268355 NA MeJP NA NA +MJ091142 Respinomycin A1; 3'-N-De-Me, 4'-de-O-glycosyl C35H43NO14 701.268355 NA MeJP NA NA +PJ018718 SSSQMY C28H43N7O12S 701.2691 NA PeJP NA NA +PJ018719 ACCKMF C29H47N7O7S3 701.2699 NA PeJP NA NA +PJ018720 GSSSNNH C25H39N11O13 701.2729 NA PeJP NA NA +PJ018721 PEMYY C33H43N5O10S 701.2731 NA PeJP NA NA +MJ091143 Antibiotic TAN 456 C34H49Cl2NO10 701.273352 NA MeJP NA NA +PJ018722 SPCCHR C26H43N11O8S2 701.2738 NA PeJP NA NA +PJ018723 ACHWW C34H39N9O6S 701.2744 NA PeJP NA NA +PJ018724 GSSEHW C30H39N9O11 701.2769 NA PeJP NA NA +MetaCyc04063 5-methyltetrahydropteroyltri-L-glutamate [] C30H39N9O11 701.276903 NA metacyc NA NA +PJ018725 GGGGGPDW C30H39N9O11 701.277 NA PeJP NA NA +PJ018726 MMHHF C31H43N9O6S2 701.2778 NA PeJP NA NA +PJ018727 SSSCRY C27H43N9O11S 701.2803 NA PeJP NA NA +PJ018728 GNYYW C35H39N7O9 701.2809 NA PeJP NA NA +PJ018729 GGGYYW C35H39N7O9 701.281 NA PeJP NA NA +PJ018730 GPPDMW C32H43N7O9S 701.2843 NA PeJP NA NA +PJ018731 GSSSTTY C28H43N7O14 701.2868 NA PeJP NA NA +PJ018732 GTCKMY C29H47N7O9S2 701.2877 NA PeJP NA NA +PJ018733 GNNNHF C29H39N11O10 701.2882 NA PeJP NA NA +PJ018734 VEEYY C33H43N5O12 701.2908 NA PeJP NA NA +PJ018735 GSDMHR C26H43N11O10S 701.2915 NA PeJP NA NA +PJ018736 GGGGSCKH C26H43N11O10S 701.2916 NA PeJP NA NA +PJ018737 SSHWW C34H39N9O8 701.2922 NA PeJP NA NA +PJ018738 TQMHW C31H43N9O8S 701.2955 NA PeJP NA NA +PJ018739 GATMHW C31H43N9O8S 701.2956 NA PeJP NA NA +PJ018740 STTQEH C27H43N9O13 701.298 NA PeJP NA NA +PJ018741 GPDEER C27H43N9O13 701.2981 NA PeJP NA NA +PJ018742 GVQMMH C28H47N9O8S2 701.2989 NA PeJP NA NA +PJ018743 GSQHHH C28H39N13O9 701.2994 NA PeJP NA NA +4 Sarcoplasmic DFHING 701.302 celiac toxic Inhouse_peptide NA peptide +PJ018744 AAPEEW C32H43N7O11 701.3021 NA PeJP NA NA +PJ018745 SSSKMY C29H47N7O11S 701.3054 NA PeJP NA NA +PJ018746 PPTQEM C29H47N7O11S 701.3055 NA PeJP NA NA +PJ018747 PPYYY C37H43N5O9 701.3061 NA PeJP NA NA +PJ018748 TCHRW C30H43N11O7S 701.3068 NA PeJP NA NA +PJ018749 SSSEHR C26H43N11O12 701.3093 NA PeJP NA NA +PJ018750 LEMFY C34H47N5O9S 701.3095 NA PeJP NA NA +PJ018751 QMMHR C27H47N11O7S2 701.3102 NA PeJP NA NA +PJ018752 PDERW C31H43N9O10 701.3133 NA PeJP NA NA +PJ018753 SPPDMR C28H47N9O10S 701.3167 NA PeJP NA NA +PJ018754 PVDWW C36H43N7O8 701.3173 NA PeJP NA NA +PJ018755 GGGAFFF C36H43N7O8 701.3174 NA PeJP NA NA +MJ091144 Naphthomycin A; 30-Dechloro, 30-hydroxy C40H47NO10 701.319996 NA MeJP NA NA +MJ091145 Naphthoquinomycin A C40H47NO10 701.319996 NA MeJP NA NA +MJ091146 Tuberactinomycin A C25H43N13O11 701.320499 NA MeJP NA NA +MetaCyc04064 tuberactinomycin A [1-(L-threo-3,6-diamino-4-hydroxyhexanoic acid)viomycin;] C25H43N13O11 701.320499 NA metacyc NA NA +PJ018756 GNNNQR C25H43N13O11 701.3205 NA PeJP NA NA +PJ018757 GGGGGGGQR C25H43N13O11 701.3206 NA PeJP NA NA +PJ018758 APPTMW C33H47N7O8S 701.3207 NA PeJP NA NA +PJ018759 CMHRR C26H47N13O6S2 701.3214 NA PeJP NA NA +PJ018760 APKEEE C29H47N7O13 701.3232 NA PeJP NA NA +PJ018761 PPVQMM C30H51N7O8S2 701.3241 NA PeJP NA NA +PJ018762 SPPQHH C30H43N11O9 701.3245 NA PeJP NA NA +PJ018763 NEHFR C30H43N11O9 701.3246 NA PeJP NA NA +PJ018764 GTTMHR C27H47N11O9S 701.3279 NA PeJP NA NA +PJ018765 VNHFW C35H43N9O7 701.3286 NA PeJP NA NA +PJ018766 TKMHW C32H47N9O7S 701.3319 NA PeJP NA NA +PJ018767 APCKHF C32H47N9O7S 701.332 NA PeJP NA NA +PJ018768 APTEER C28H47N9O12 701.3344 NA PeJP NA NA +PJ018769 PVTDDR C28H47N9O12 701.3345 NA PeJP NA NA +PJ018770 APPMMR C29H51N9O7S2 701.3353 NA PeJP NA NA +PJ018771 GSKHHH C29H43N13O8 701.3358 NA PeJP NA NA +PJ018772 GPTLEW C33H47N7O10 701.3385 NA PeJP NA NA +PJ018773 GPCNRR C26H47N13O8S 701.3392 NA PeJP NA NA +PJ018774 GHFRW C34H43N11O6 701.3398 NA PeJP NA NA +MJ091147 Yunaconitine; O3-Ac C37H51NO12 701.341126 NA MeJP NA NA +PJ018775 PPTKEM C30H51N7O10S 701.3418 NA PeJP NA NA +PJ018776 GGPVLEM C30H51N7O10S 701.3419 NA PeJP NA NA +PJ018777 PLFYY C38H47N5O8 701.3425 NA PeJP NA NA +PJ018778 STTTHR C27H47N11O11 701.3457 NA PeJP NA NA +PJ018779 LLMYY C35H51N5O8S 701.3458 NA PeJP NA NA +PJ018780 KMMHR C28H51N11O6S2 701.3466 NA PeJP NA NA +PJ018781 GSPQKW C32H47N9O9 701.3497 NA PeJP NA NA +PJ018782 GPLEMR C29H51N9O9S 701.3531 NA PeJP NA NA +PJ018783 PTLWW C37H47N7O7 701.3537 NA PeJP NA NA +PJ018784 NQERR C26H47N13O10 701.3569 NA PeJP NA NA +PJ018785 GPVLMW C34H51N7O7S 701.3571 NA PeJP NA NA +PJ018786 SPLKEE C30H51N7O12 701.3596 NA PeJP NA NA +PJ018787 PPVKMM C31H55N7O7S2 701.3605 NA PeJP NA NA +PJ018788 VNQRW C31H47N11O8 701.3609 NA PeJP NA NA +PJ018789 GGGGLRW C31H47N11O8 701.361 NA PeJP NA NA +PJ018790 GPNKMR C28H51N11O8S 701.3643 NA PeJP NA NA +PJ018791 PPFRW C36H47N9O6 701.365 NA PeJP NA NA +8306 Antioxidative peptide SVMPVVA 701.3654 NA ;SYN:Desiodothyroxine; L-Thyronine; O-(4-Hydroxyphenyl)tyrosine; Thyronine; b-(p-Hydroxyphenoxy)phenylalanine; beta-(p-Hydroxyphenoxy)phenylalanineH2Blood; Urine Inhouse_peptide NA peptide +PJ018792 PLMRW C33H51N9O6S 701.3683 NA PeJP NA NA +PJ018793 GVLEER C29H51N9O11 701.3708 NA PeJP NA NA +PJ018794 GGGAALKE C29H51N9O11 701.3709 NA PeJP NA NA +PJ018795 GQRRW C30H47N13O7 701.3722 NA PeJP NA NA +PJ018796 SSPLLW C34H51N7O9 701.3748 NA PeJP NA NA +PJ018797 AALLEW C34H51N7O9 701.3749 NA PeJP NA NA +MJ091148 Lituarine C C38H55NO11 701.377511 NA MeJP NA NA +PJ018798 PVVKEM C31H55N7O9S 701.3782 NA PeJP NA NA +PJ018799 LLFFY C39H51N5O7 701.3789 NA PeJP NA NA +PJ018800 LEERR C28H51N11O10 701.3821 NA PeJP NA NA +PJ018801 PHHRR C29H47N15O6 701.3834 NA PeJP NA NA +PJ018802 VLERW C33H51N9O8 701.3861 NA PeJP NA NA +PJ018803 SPVLMR C30H55N9O8S 701.3895 NA PeJP NA NA +PJ018804 VVLWW C38H51N7O6 701.3901 NA PeJP NA NA +PJ018805 NKERR C27H51N13O9 701.3933 NA PeJP NA NA +PJ018806 ALLKEE C31H55N7O11 701.396 NA PeJP NA NA +PJ018807 VNKRW C32H51N11O7 701.3973 NA PeJP NA NA +C13103 Leucomycin V C35H59NO13 701.3986 NA KEGG NA NA +MJ091149 Leucomycin B; Leucomycin B1 C35H59NO13 701.39864 NA MeJP NA NA +MJ091150 Leucomycin V C35H59NO13 701.39864 NA MeJP NA NA +PJ018808 APCKKR C29H55N11O7S 701.4007 NA PeJP NA NA +PJ018809 SQRRR C26H51N15O8 701.4045 NA PeJP NA NA +PJ018810 ATLLER C30H55N9O10 701.4072 NA PeJP NA NA +PJ018811 GKRRW C31H51N13O6 701.4086 NA PeJP NA NA +PJ018812 GTLLLW C35H55N7O8 701.4112 NA PeJP NA NA +PJ018813 GGPVLLF C35H55N7O8 701.4113 NA PeJP NA NA +PJ018814 PTLLKM C32H59N7O8S 701.4146 NA PeJP NA NA +PJ018815 SSPKKR C29H55N11O9 701.4184 NA PeJP NA NA +PJ018816 AAKKER C29H55N11O9 701.4185 NA PeJP NA NA +MJ091151 Antibiotic SUAM 20010 C33H59N5O11 701.421107 NA MeJP NA NA +PJ018817 LQKKW C34H55N9O7 701.4225 NA PeJP NA NA +PJ018818 GLLLMR C31H59N9O7S 701.4259 NA PeJP NA NA +PJ018819 DKKRR C28H55N13O8 701.4297 NA PeJP NA NA +PJ018820 SLLLKE C32H59N7O10 701.4324 NA PeJP NA NA +MJ091152 Erythromycin; 6-Deoxy, 6,7-didehydro, 3''-O-de-Me C36H63NO12 701.435026 NA MeJP NA NA +PJ018821 SKRRR C27H55N15O7 701.4409 NA PeJP NA NA +PJ018822 STLLLR C31H59N9O9 701.4436 NA PeJP NA NA +PJ018823 PVVLKF C36H59N7O7 701.4476 NA PeJP NA NA +PJ018824 VVLLKM C33H63N7O7S 701.451 NA PeJP NA NA +PJ018825 GTLKKR C30H59N11O8 701.4548 NA PeJP NA NA +PJ018826 GGGKKKK C30H59N11O8 701.4549 NA PeJP NA NA +MJ091153 Pepstatins; Pepstatin A, Hydroxy C34H63N5O10 701.457493 NA MeJP NA NA +PJ018827 LKKKW C35H59N9O6 701.4589 NA PeJP NA NA +MJ091154 Erythromycin; 6,12-Dideoxy C37H67NO11 701.471411 NA MeJP NA NA +PJ018828 SVLKKK C32H63N9O8 701.48 NA PeJP NA NA +HMDB07903 PC(14:1(9Z)/16:1(9Z)) C38H72NO8P 701.499573 NA HMDB2010 NA NA +HMDB07999 PC(16:1(9Z)/14:1(9Z)) C38H72NO8P 701.499573 NA HMDB2010 NA NA +HMDB08895 PE(15:0/18:2(9Z,12Z)) C38H72NO8P 701.499573 NA HMDB2010 NA NA +HMDB09087 PE(18:2(9Z,12Z)/15:0) C38H72NO8P 701.499573 NA HMDB2010 NA NA +MJ091155 Gymnasterone A C45H67NO5 701.501924 NA MeJP NA NA +MJ091156 Soblidotin C39H67N5O6 701.509134 NA MeJP NA NA +C13878 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3- C39H76NO7P 701.5359 NA KEGG NA NA +C13879 Transferred to D02151 C39H76NO7P 701.5359 NA KEGG NA NA +HMDB08951 PE(16:0/P-18:1(11Z)) C39H76NO7P 701.53595 NA HMDB2010 NA NA +HMDB08952 PE(16:0/P-18:1(9Z)) C39H76NO7P 701.53595 NA HMDB2010 NA NA +HMDB08983 PE(16:1(9Z)/P-18:0) C39H76NO7P 701.53595 NA HMDB2010 NA NA +HMDB09048 PE(18:1(11Z)/P-16:0) C39H76NO7P 701.53595 NA HMDB2010 NA NA +HMDB09081 PE(18:1(9Z)/P-16:0) C39H76NO7P 701.53595 NA HMDB2010 NA NA +HMDB11341 PEP-16:0/18:1(11Z)) C39H76NO7P 701.53595 NA HMDB2010 NA NA +HMDB11342 PE(P-16:0/18:1(9Z)) C39H76NO7P 701.53595 NA HMDB2010 NA NA +HMDB11372 PE(P-18:0/16:1(9Z)) C39H76NO7P 701.53595 NA HMDB2010 NA NA +HMDB11404 PE(P-18:1(11Z)/16:0) C39H76NO7P 701.53595 NA HMDB2010 NA NA +HMDB11437 PE(P-18:1(9Z)/16:0) C39H76NO7P 701.53595 NA HMDB2010 NA NA +EUR1069 SM(d18:1/16:1) monoisotopic mass C39H78N2O6P 701.559751 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1069 SM(d18:1/16:1) monoisotopic mass C39H78N2O6P 701.559751 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1069 SM(d18:1/16:1) monoisotopic mass C39H78N2O6P 701.559751 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1069 SM(d18:1/16:1) monoisotopic mass C39H78N2O6P 701.559751 masses lipides attendues Inhousejuil11 NA NA +HMDB10703 CerP(d18:1/22:0) C40H80NO6P 701.572327 NA HMDB2010 NA NA +PJ018829 CCCDEM C23H38N6O11S4 702.1482 NA PeJP NA NA +MJ091157 3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxy-4-(2,4,6-trihydroxyphenyl)flavan C36H30O15 702.15847 NA MeJP NA NA +MJ091158 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxy-4-(2,4,6-trihydroxyphenyl)flavan C36H30O15 702.15847 NA MeJP NA NA +MJ091159 Podoverin C; 3'-Hydroxy C36H30O15 702.15847 NA MeJP NA NA +MJ091160 Volkensiflavone, 7''-O-?-D-Glucopyranoside C36H30O15 702.15847 NA MeJP NA NA +PJ018830 GSCCCCQ C22H38N8O10S4 702.1594 NA PeJP NA NA +MJ091161 Agrocin 84 C22H36N6O16P2 702.166302 NA MeJP NA NA +PJ018831 SSSCCCN C22H38N8O12S3 702.1772 NA PeJP NA NA +FL2FACGS0011 Hexaacetylpyracanthoside C33H34O17 702.17959 138989-34-1 knapsack NA NA +PJ018832 PCCCDY C27H38N6O10S3 702.1812 NA PeJP NA NA +PJ018833 SCCEMM C24H42N6O10S4 702.1846 NA PeJP NA NA +PJ018834 CCCNNF C26H38N8O9S3 702.1924 NA PeJP NA NA +MJ091162 Paulomycin F C29H38N2O16S 702.194203 NA MeJP NA NA +PJ018835 GSCCCCK C23H42N8O9S4 702.1958 NA PeJP NA NA +PJ018836 GCDDMY C27H38N6O12S2 702.1989 NA PeJP NA NA +PJ018837 PCCCMF C28H42N6O7S4 702.1998 NA PeJP NA NA +PJ018838 GCMMMM C25H46N6O7S5 702.2032 NA PeJP NA NA +PJ018839 TCCCHH C25H38N10O8S3 702.2037 NA PeJP NA NA +PJ018840 SDDDDH C25H34N8O16 702.2093 NA PeJP NA NA +PJ018841 SCCNNY C26H38N8O11S2 702.2102 NA PeJP NA NA +PJ018842 CCEYW C31H38N6O9S2 702.2142 NA PeJP NA NA +MJ091163 Aloesin; 2'-O-(4-Hydroxy-E-cinnamoyl), 7-O-?-D-glucopyranoside C34H38O16 702.215985 NA MeJP NA NA +MJ091164 Diphyllin; O-[2,3-Di-O-methyl-?-D-xylopyranosyl-(1?4)-?-D-glucopyranoside] C34H38O16 702.215985 NA MeJP NA NA +MJ091165 Diphyllin; O-[?-D-Glucopyranosyl-(1?2)-3,4-di-O-methyl-D-xylopyranoside] C34H38O16 702.215985 NA MeJP NA NA +MJ091166 Diphyllin; O-[?-D-Glucopyranosyl-(1?4)-2,3-di-O-methyl-?-D-xylopyranoside] C34H38O16 702.215985 NA MeJP NA NA +MJ091167 Oleuropein; 10-Hydroxy, 6'-(4-hydroxy-E-cinnamoyl) C34H38O16 702.215985 NA MeJP NA NA +MJ091168 Senburiside I C34H38O16 702.215985 NA MeJP NA NA +PJ018843 SSCDEY C27H38N6O14S 702.2167 NA PeJP NA NA +PJ018844 SPCCMY C28H42N6O9S3 702.2176 NA PeJP NA NA +PJ018845 STCMMM C25H46N6O9S4 702.2209 NA PeJP NA NA +PJ018846 GDDEMH C26H38N8O13S 702.2279 NA PeJP NA NA +PJ018847 GCDDFF C31H38N6O11S 702.232 NA PeJP NA NA +PJ018848 GSDMMY C28H42N6O11S2 702.2353 NA PeJP NA NA +PJ018849 GCCHHF C29H38N10O7S2 702.2367 NA PeJP NA NA +MJ091169 Argylioside; 8,10-Didehydro C31H42O18 702.237114 NA MeJP NA NA +MJ091170 Nuezhenide; 3''-Hydroxy C31H42O18 702.237114 NA MeJP NA NA +MJ091171 Oleuropein; 10-Hydroxy, 3''-deoxy, 2'-?-D-glucopyranosyl C31H42O18 702.237114 NA MeJP NA NA +MJ091172 Oleuropein; 4''-O-?-D-Glucopyranoside C31H42O18 702.237114 NA MeJP NA NA +MJ091173 Oleuropein; 6'-O-?-D-Glucopyranosyl C31H42O18 702.237114 NA MeJP NA NA +PJ018850 SCNNEH C25H38N10O12S 702.2392 NA PeJP NA NA +MJ091174 Lyaloside; 6'-(4-Hydroxy-3-methoxycinnamoyl)(E-) C37H38N2O12 702.242474 NA MeJP NA NA +PJ018851 DDMHW C30H38N8O10S 702.2432 NA PeJP NA NA +PJ018852 SSDEEH C26H38N8O15 702.2457 NA PeJP NA NA +PJ018853 SPCEMH C27H42N8O10S2 702.2466 NA PeJP NA NA +PJ018854 NDEYY C31H38N6O13 702.2497 NA PeJP NA NA +PJ018855 TCMYW C32H42N6O8S2 702.2506 NA PeJP NA NA +PJ018856 SSSEMY C28H42N6O13S 702.2531 NA PeJP NA NA +PJ018857 QMMMY C29H46N6O8S3 702.2539 NA PeJP NA NA +PJ018858 GAMMMY C29H46N6O8S3 702.254 NA PeJP NA NA +PJ018859 GSCNHW C29H38N10O9S 702.2544 NA PeJP NA NA +PJ018860 GSSSNDH C25H38N10O14 702.2569 NA PeJP NA NA +PJ018861 GNNMMH C26H42N10O9S2 702.2578 NA PeJP NA NA +PJ018862 GPNDDW C30H38N8O12 702.261 NA PeJP NA NA +PJ018863 PPCCHF C31H42N8O7S2 702.2618 NA PeJP NA NA +PJ018864 GTEEMH C27H42N8O12S 702.2643 NA PeJP NA NA +PJ018865 GDYYW C35H38N6O10 702.265 NA PeJP NA NA +PJ018866 CMMRY C28H46N8O7S3 702.2652 NA PeJP NA NA +PJ018867 NNNNNN C24H38N12O13 702.2681 NA PeJP NA NA +PJ018868 GGNNNNN C24H38N12O13 702.2682 NA PeJP NA NA +PJ018869 GPTCYY C32H42N6O10S 702.2683 NA PeJP NA NA +MJ091175 4,4''-Bi(N-4-hydroxycinnamoylserotonin), 3',3'''-Dimethoxy C40H38N4O8 702.268964 NA MeJP NA NA +PJ018870 GCCQHR C25H42N12O8S2 702.269 NA PeJP NA NA +PJ018871 APEEEE C28H42N6O15 702.2708 NA PeJP NA NA +PJ018872 PVDDEE C28H42N6O15 702.2709 NA PeJP NA NA +PJ018873 GTTMMY C29H46N6O10S2 702.2717 NA PeJP NA NA +PJ018874 GNNDHF C29H38N10O11 702.2722 NA PeJP NA NA +PJ018875 SSNQMH C26H42N10O11S 702.2755 NA PeJP NA NA +PJ018876 GGGGSTMH C26H42N10O11S 702.2756 NA PeJP NA NA +MJ091176 25,26-Dimethylergostane-2,3,6-triol, Tri-O-sulfate C30H54O12S3 702.277739 NA MeJP NA NA +PJ018877 TEMHW C31H42N8O9S 702.2796 NA PeJP NA NA +PJ018878 STTEEH C27H42N8O14 702.2821 NA PeJP NA NA +PJ018879 AVDMMH C28H46N8O9S2 702.2829 NA PeJP NA NA +PJ018880 GVEMMH C28H46N8O9S2 702.283 NA PeJP NA NA +PJ018881 GSEHHH C28H38N12O10 702.2834 NA PeJP NA NA +PJ018882 GMFYW C36H42N6O7S 702.2836 NA PeJP NA NA +PJ018883 TQEYY C32H42N6O12 702.2861 NA PeJP NA NA +PJ018884 SSCNHR C25H42N12O10S 702.2868 NA PeJP NA NA +PJ018885 QMMFF C33H46N6O7S2 702.287 NA PeJP NA NA +MJ091177 Taccalonolide B; 15-Ac C36H46O14 702.288756 NA MeJP NA NA +MJ091178 Taccalonolide B; 7-Ac C36H46O14 702.288756 NA MeJP NA NA +MJ091179 Taccalonolide C C36H46O14 702.288756 NA MeJP NA NA +MJ091180 Taccalonolide I; 6-Ac C36H46O14 702.288756 NA MeJP NA NA +MJ091181 Trichilin B; 29-Deacyl, 29-(2-methylpropanoyl), 12-Ac C36H46O14 702.288756 NA MeJP NA NA +MJ091182 Trichilin B; 29-Deacyl, 29-(2-methylpropanoyl), 2-O-de-Ac, 1,12-di-Ac C36H46O14 702.288756 NA MeJP NA NA +MJ091183 Trichilin B; 29-Deacyl, 29-(2-methylpropanoyl), 3-O-de-Ac, 1,12-di-Ac C36H46O14 702.288756 NA MeJP NA NA +C08635 Taccalonolide A C36H46O14 702.2888 NA KEGG NA NA +PJ018886 STTTMY C29H46N6O12S 702.2895 NA PeJP NA NA +PJ018887 KMMMY C30H50N6O7S3 702.2903 NA PeJP NA NA +PJ018888 SPNDDR C26H42N10O13 702.2933 NA PeJP NA NA +PJ018889 EMMHR C27H46N10O8S2 702.2942 NA PeJP NA NA +PJ018890 GSPQEW C31H42N8O11 702.2973 NA PeJP NA NA +PJ018891 GGGGPPDF C31H42N8O11 702.2974 NA PeJP NA NA +MJ091184 Bisbutitiamine C32H46N8O6S2 702.298172 NA MeJP NA NA +MJ091185 Sulbutiamine C32H46N8O6S2 702.298172 NA MeJP NA NA +C12750 Bisibuthiamine C32H46N8O6S2 702.2982 NA KEGG NA NA +C12751 Transferred to D01320 C32H46N8O6S2 702.2982 NA KEGG NA NA +C12752 Transferred to D01321 C32H46N8O6S2 702.2982 NA KEGG NA NA +PJ018892 VMMHW C32H46N8O6S2 702.2982 NA PeJP NA NA +PJ018893 SHHHW C32H38N12O7 702.2987 NA PeJP NA NA +PJ018894 SSLEMH C28H46N8O11S 702.3007 NA PeJP NA NA +PJ018895 ATYYW C36H42N6O9 702.3013 NA PeJP NA NA +PJ018896 GGPFYY C36H42N6O9 702.3014 NA PeJP NA NA +PJ018897 AAMHHH C29H42N12O7S 702.3021 NA PeJP NA NA +MJ091186 11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 5-Cinnamoyl, 9-benzoyl, 2,7-di-Ac C40H46O11 702.304012 NA MeJP NA NA +PJ018898 GNNNER C25H42N12O12 702.3045 NA PeJP NA NA +PJ018899 GGGNNER C25H42N12O12 702.3046 NA PeJP NA NA +PJ018900 VQMYY C33H46N6O9S 702.3047 NA PeJP NA NA +PJ018901 GCCKHR C26H46N12O7S2 702.3054 NA PeJP NA NA +PJ018902 SPLEEE C29H46N6O14 702.3072 NA PeJP NA NA +PJ018903 PPVEMM C30H50N6O9S2 702.3081 NA PeJP NA NA +PJ018904 NQQQW C30H42N10O10 702.3086 NA PeJP NA NA +PJ018905 GPNEMR C27H46N10O10S 702.3119 NA PeJP NA NA +PJ018906 GGPVCDR C27H46N10O10S 702.312 NA PeJP NA NA +PJ018907 SPQWW C35H42N8O8 702.3126 NA PeJP NA NA +MJ091187 Nicotaxine; O5-(3-Amino-3-phenylpropanoyl) C39H46N2O10 702.315245 NA MeJP NA NA +PJ018908 AMRYY C32H46N8O8S 702.3159 NA PeJP NA NA +PJ018909 AAPQMW C32H46N8O8S 702.316 NA PeJP NA NA +PJ018910 GFFFW C40H42N6O6 702.3166 NA PeJP NA NA +PJ018911 SSPPTTN C28H46N8O13 702.3184 NA PeJP NA NA +PJ018912 SPNKEE C28H46N8O13 702.3185 NA PeJP NA NA +PJ018913 ATLMMH C29H50N8O8S2 702.3193 NA PeJP NA NA +PJ018914 NNNRW C29H42N12O9 702.3198 NA PeJP NA NA +PJ018915 TKEYY C33H46N6O11 702.3225 NA PeJP NA NA +PJ018916 GPCDRR C26H46N12O9S 702.3232 NA PeJP NA NA +PJ018917 KMMFF C34H50N6O6S2 702.3234 NA PeJP NA NA +MJ091188 11,12-Dihydroxyhavanensin-28-oic acid, 11-(2-Methylpropanoyl), 1,7,12-tri-Ac, Me ester C37H50O13 702.325141 NA MeJP NA NA +MJ091189 11,12-Dihydroxyhavanensin-28-oic acid, 11-(2-Methylpropanoyl), 3,7,12-tri-Ac, Me ester C37H50O13 702.325141 NA MeJP NA NA +MJ091190 2,3,16,20,25-Pentahydroxy-29-norcucurbita-1,3,5(10),6-tetraene-11,22-dione, 23,24-Didehydro, 25-Ac, 2-O-?-D-glucopyranoside C37H50O13 702.325141 NA MeJP NA NA +MJ091191 Sambacein I C37H50O13 702.325141 NA MeJP NA NA +PJ018918 PVVEEM C30H50N6O11S 702.3259 NA PeJP NA NA +PJ018919 PNMRW C31H46N10O7S 702.3272 NA PeJP NA NA +MJ091192 22,23-Epoxyergost-9(11)-ene-3,6,20-triol, 3-O-?-D-Glucuronopyranoside, 6-sulfate C34H54O13S 702.328512 NA MeJP NA NA +MJ091193 3,6,20-Trihydroxyergost-9(11)-en-23-one, 3-O-?-D-Glucuronopyranoside, 6-O-sulfate C34H54O13S 702.328512 NA MeJP NA NA +PJ018920 AAQEER C27H46N10O12 702.3297 NA PeJP NA NA +PJ018921 PPCCKR C28H50N10O7S2 702.3306 NA PeJP NA NA +PJ018922 GSPKEW C32H46N8O10 702.3337 NA PeJP NA NA +PJ018923 TTTLMH C29H50N8O10S 702.3371 NA PeJP NA NA +PJ018924 VQFFY C37H46N6O8 702.3377 NA PeJP NA NA +PJ018925 NEERR C26H46N12O11 702.3409 NA PeJP NA NA +PJ018926 GGGGGDKR C26H46N12O11 702.341 NA PeJP NA NA +PJ018927 VKMYY C34H50N6O8S 702.3411 NA PeJP NA NA +MJ091194 Scandomeline C42H46N4O6 702.341735 NA MeJP NA NA +PJ018928 ALLEEE C30H50N6O13 702.3436 NA PeJP NA NA +PJ018929 VNERW C31H46N10O9 702.3449 NA PeJP NA NA +PJ018930 GGVERW C31H46N10O9 702.345 NA PeJP NA NA +PJ018931 GPDKMR C28H50N10O9S 702.3483 NA PeJP NA NA +PJ018932 SPKWW C36H46N8O7 702.349 NA PeJP NA NA +PJ018933 GSNNRR C25H46N14O10 702.3522 NA PeJP NA NA +PJ018934 APVCKW C33H50N8O7S 702.3523 NA PeJP NA NA +PJ018935 AAPKMW C33H50N8O7S 702.3524 NA PeJP NA NA +PJ018936 AVQKEE C29H50N8O12 702.3548 NA PeJP NA NA +PJ018937 GLQKEE C29H50N8O12 702.3549 NA PeJP NA NA +PJ018938 PPCKKM C30H54N8O7S2 702.3557 NA PeJP NA NA +PJ018939 GERRW C30H46N12O8 702.3562 NA PeJP NA NA +2675 substance P RPKPQQFFGLMG 702.3587 MH2+ Inhouse_peptide NA peptide +PJ018940 PPVVEY C34H50N6O10 702.3589 NA PeJP NA NA +PJ018941 GSPMRR C27H50N12O8S 702.3596 NA PeJP NA NA +PJ018942 GVRWW C35H46N10O6 702.3602 NA PeJP NA NA +MJ091195 2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 16-O-(2-O-Acetyl-6-deoxy-?-L-ribo-hexopyranos-3-uloside) C38H54O12 702.361527 NA MeJP NA NA +MJ091196 2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 16-O-(2-O-Acetyl-6-deoxy-?-L-ribo-hexopyranos-3-uloside) C38H54O12 702.361527 NA MeJP NA NA +PJ018943 PTLLEM C31H54N6O10S 702.3622 NA PeJP NA NA +PJ018944 LMHFR C32H50N10O6S 702.3636 NA PeJP NA NA +PJ018945 AAKEER C28H50N10O11 702.3661 NA PeJP NA NA +PJ018946 LQKEW C33H50N8O9 702.3701 NA PeJP NA NA +PJ018947 RRWW C34H46N12O5 702.3714 NA PeJP NA NA +PJ018948 APKKEM C30H54N8O9S 702.3735 NA PeJP NA NA +PJ018949 VKFFY C38H50N6O7 702.3741 NA PeJP NA NA +MJ091197 Antibiotic 6108C C34H58N2O11S 702.376131 NA MeJP NA NA +MJ091198 Nilgherron A; 3?-Acetoxy C42H54O9 702.376783 NA MeJP NA NA +PJ018950 DKERR C27H50N12O10 702.3773 NA PeJP NA NA +PJ018951 PPVLMF C35H54N6O7S 702.3775 NA PeJP NA NA +MJ091199 Undulatine; De(hydroxymethyl) C43H50N4O5 702.37812 NA MeJP NA NA +PJ018952 SLLLEE C31H54N6O12 702.38 NA PeJP NA NA +PJ018953 PVLLMM C32H58N6O7S2 702.3809 NA PeJP NA NA +PJ018954 VDKRW C32H50N10O8 702.3813 NA PeJP NA NA +PJ018955 GAPPPKH C32H50N10O8 702.3814 NA PeJP NA NA +MJ091200 Chalcomycin; 10,11-Dihydro C35H58O14 702.382656 NA MeJP NA NA +PJ018956 APTKMR C29H54N10O8S 702.3847 NA PeJP NA NA +PJ018957 ALKWW C37H50N8O6 702.3854 NA PeJP NA NA +PJ018958 SERRR C26H50N14O9 702.3886 NA PeJP NA NA +PJ018959 GLKKEE C30H54N8O11 702.3912 NA PeJP NA NA +PJ018960 SVRRW C31H50N12O7 702.3926 NA PeJP NA NA +PJ018961 PPTLLY C35H54N6O9 702.3953 NA PeJP NA NA +PJ018962 LQMRR C28H54N12O7S 702.3959 NA PeJP NA NA +PJ018963 GALMRR C28H54N12O7S 702.396 NA PeJP NA NA +MJ091201 16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 3-O-(2,4-Diacetyl-?-D-xylopyranoside) C39H58O11 702.397912 NA MeJP NA NA +PJ018964 VVLLEM C32H58N6O9S 702.3986 NA PeJP NA NA +MJ091202 3,16,20-Taraxastanetriol, 3-O-?-D-Glucopyranoside, 2'-sulfate C36H62O11S 702.401283 NA MeJP NA NA +MJ091203 3,20,28-Taraxastanetriol, 3-O-[2-O-Sulfo-?-D-glucopyranoside] C36H62O11S 702.401283 NA MeJP NA NA +PJ018965 GTLKER C29H54N10O10 702.4025 NA PeJP NA NA +PJ018966 LKKEW C34H54N8O8 702.4065 NA PeJP NA NA +PJ018967 CLRRR C27H54N14O6S 702.4072 NA PeJP NA NA +PJ018968 SPLKKM C31H58N8O8S 702.4099 NA PeJP NA NA +PJ018969 GTTLRR C28H54N12O9 702.4137 NA PeJP NA NA +PJ018970 TLKRW C33H54N10O7 702.4177 NA PeJP NA NA +MJ091204 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(Argininylsuberoyl) C37H58N4O9 702.420379 NA MeJP NA NA +PJ018971 GVLKMR C30H58N10O7S 702.4211 NA PeJP NA NA +PJ018972 SVLKKE C31H58N8O10 702.4276 NA PeJP NA NA +PJ018973 PKFRR C32H54N12O6 702.429 NA PeJP NA NA +PJ018974 PVVLLY C36H58N6O8 702.4316 NA PeJP NA NA +PJ018975 LKMRR C29H58N12O6S 702.4323 NA PeJP NA NA +PJ018976 TLLLLM C33H62N6O8S 702.435 NA PeJP NA NA +PJ018977 SSLLKR C30H58N10O9 702.4388 NA PeJP NA NA +PJ018978 VVTTKR C30H58N10O9 702.4389 NA PeJP NA NA +PJ018979 APLKKF C35H58N8O7 702.4429 NA PeJP NA NA +PJ018980 ALLKKM C32H62N8O7S 702.4463 NA PeJP NA NA +PJ018981 GSKKKR C29H58N12O8 702.4501 NA PeJP NA NA +MJ091205 Kulomoopunalide 2 C38H62N4O8 702.456764 NA MeJP NA NA +PJ018982 TTLLKK C32H62N8O9 702.464 NA PeJP NA NA +PJ018983 VVLLLF C37H62N6O7 702.468 NA PeJP NA NA +MJ091206 Spirangiene A C41H66O9 702.470683 NA MeJP NA NA +PJ018984 ATKKKK C31H62N10O8 702.4752 NA PeJP NA NA +MJ091207 Bistramide A; 39-Ketone C40H66N2O8 702.481917 NA MeJP NA NA +MJ091208 1,2-Di-O-acylglycerols; Glycerol 1-hexadecanoate 2-tetradecanoate, 3-O-?-D-Galactopyranoside C39H74O10 702.528198 NA MeJP NA NA +MetaCyc04065 demethylmenaquinone-8 [DMK-8;demethylmenaquinone;] C50H70O2 702.537581 NA metacyc NA NA +MetaCyc04066 ecdysone palmitate [] C43H74O7 702.543455 NA metacyc NA NA +C02681 Ecdysone palmitate C43H74O7 702.5435 NA KEGG NA NA +C02682 Ferricytochrome c3 C43H74O7 702.5435 NA KEGG NA NA +C02683 Ferrileghemoglobin C43H74O7 702.5435 NA KEGG NA NA +C02684 Ferrocytochrome c3 C43H74O7 702.5435 NA KEGG NA NA +C02685 Ferroleghemoglobin C43H74O7 702.5435 NA KEGG NA NA +C02686 Galactosylceramide C25H46NO8R 702.5435 NA KEGG NA NA +C02687 alpha-D-Glucosylglycogenin C16H20N2O8R2 702.5435 NA KEGG NA NA +C02688 Glycerol monoester C4H7O4R 702.5435 NA KEGG NA NA +C02690 Glycosphingolipid C4H7O4R 702.5435 NA KEGG NA NA +HMDB07268 DG(18:2(9Z,12Z)/24:1(15Z)/0:0) C45H82O5 702.616211 NA HMDB2010 NA NA +HMDB07296 DG(18:3(6Z,9Z,12Z)/24:0/0:0) C45H82O5 702.616211 NA HMDB2010 NA NA +HMDB07325 DG(18:3(9Z,12Z,15Z)/24:0/0:0) C45H82O5 702.616211 NA HMDB2010 NA NA +HMDB07407 DG(20:1(11Z)/22:2(13Z,16Z)/0:0) C45H82O5 702.616211 NA HMDB2010 NA NA +HMDB07435 DG(20:2(11Z,14Z)/22:1(13Z)/0:0) C45H82O5 702.616211 NA HMDB2010 NA NA +HMDB07463 DG(20:3(5Z,8Z,11Z)/22:0/0:0) C45H82O5 702.616211 NA HMDB2010 NA NA +HMDB07492 DG(20:3(8Z,11Z,14Z)/22:0/0:0) C45H82O5 702.616211 NA HMDB2010 NA NA +HMDB07603 DG(22:0/20:3(5Z,8Z,11Z)/0:0) C45H82O5 702.616211 NA HMDB2010 NA NA +HMDB07604 DG(22:0/20:3(8Z,11Z,14Z)/0:0) C45H82O5 702.616211 NA HMDB2010 NA NA +HMDB07631 DG(22:1(13Z)/20:2(11Z,14Z)/0:0) C45H82O5 702.616211 NA HMDB2010 NA NA +HMDB07659 DG(22:2(13Z,16Z)/20:1(11Z)/0:0) C45H82O5 702.616211 NA HMDB2010 NA NA +HMDB07800 DG(24:0/18:3(6Z,9Z,12Z)/0:0) C45H82O5 702.616211 NA HMDB2010 NA NA +HMDB07801 DG(24:0/18:3(9Z,12Z,15Z)/0:0) C45H82O5 702.616211 NA HMDB2010 NA NA +HMDB07828 DG(24:1(15Z)/18:2(9Z,12Z)/0:0) C45H82O5 702.616211 NA HMDB2010 NA NA +MJ091209 Glisoprenin A C45H82O5 702.616225 NA MeJP NA NA +MJ091210 24-Methylcycloart-25-en-3-ol, 9,12-Octadecadienoyl (Z,Z-) C49H82O2 702.631481 NA MeJP NA NA +MJ091211 28-Nonacosene-9,10-diol; 9-(9-Octadecenoyl)(Z-) C47H90O3 702.688996 NA MeJP NA NA +MJ091212 3-Hydroxy-11-eicosenyl 11-heptacosenoate C47H90O3 702.688996 NA MeJP NA NA +MJ091213 5-Nonatetracontanone C49H98O 702.761767 NA MeJP NA NA +PJ018985 GSCCCCE C22H37N7O11S4 703.1434 NA PeJP NA NA +PJ018986 SCCCCW C26H37N7O8S4 703.1587 NA PeJP NA NA +PJ018987 SSSCCCD C22H37N7O13S3 703.1612 NA PeJP NA NA +PJ018988 CCCNMM C23H41N7O8S5 703.162 NA PeJP NA NA +PJ018989 GGCCCMM C23H41N7O8S5 703.1621 NA PeJP NA NA +PJ018990 CCCNDF C26H37N7O10S3 703.1764 NA PeJP NA NA +PJ018991 GSTCCCM C23H41N7O10S4 703.1798 NA PeJP NA NA +PJ018992 SCCNDY C26H37N7O12S2 703.1942 NA PeJP NA NA +PJ018993 SSTTCCC C23H41N7O12S3 703.1975 NA PeJP NA NA +PJ018994 SSSSCCM C23H41N7O12S3 703.1976 NA PeJP NA NA +PJ018995 GCCQMY C27H41N7O9S3 703.2128 NA PeJP NA NA +PJ018996 CCNNNH C24H37N11O10S2 703.2167 NA PeJP NA NA +PJ018997 SCNDEH C25H37N9O13S 703.2232 NA PeJP NA NA +PJ018998 GCCCRY C26H41N9O8S3 703.2241 NA PeJP NA NA +PJ018999 PNDDDE C26H37N7O16 703.2297 NA PeJP NA NA +PJ019000 SSCNMY C27H41N7O11S2 703.2306 NA PeJP NA NA +PJ019001 DDEYY C31H37N5O14 703.2337 NA PeJP NA NA +PJ019002 EMMMY C29H45N5O9S3 703.238 NA PeJP NA NA +PJ019003 GSCDHW C29H37N9O10S 703.2384 NA PeJP NA NA +MJ091214 Rachelmycin C37H33N7O8 703.239061 NA MeJP NA NA +PJ019004 GSSSDDH C25H37N9O15 703.2409 NA PeJP NA NA +PJ019005 GNDMMH C26H41N9O10S2 703.2418 NA PeJP NA NA +PJ019006 GPDDDW C30H37N7O13 703.245 NA PeJP NA NA +PJ019007 GCCQFF C31H41N7O8S2 703.2458 NA PeJP NA NA +PJ019008 GSSSTCY C27H41N7O13S 703.2483 NA PeJP NA NA +PJ019009 GCCKMY C28H45N7O8S3 703.2492 NA PeJP NA NA +PJ019010 NNNNND C24H37N11O14 703.2522 NA PeJP NA NA +PJ019011 DEMFY C32H41N5O11S 703.2524 NA PeJP NA NA +MJ091215 Enacyloxin IIa; 15'-Alcohol C33H47Cl2NO11 703.252616 NA MeJP NA NA +MJ091216 Enacyloxin IIb; 15'-Alcohol C33H47Cl2NO11 703.252616 NA MeJP NA NA +PJ019012 ACCDHR C25H41N11O9S2 703.253 NA PeJP NA NA +PJ019013 GCCEHR C25H41N11O9S2 703.2531 NA PeJP NA NA +HMDB06826 Tetrahydrofolyl-[Glu](n) C29H37N9O12 703.256165 NA HMDB2010 NA NA +HMDB12290 Tetrahydropteroyltri-L-glutamate C29H37N9O12 703.256165 NA HMDB2010 NA NA +C04144 Tetrahydropteroyltri-L-glutamate C29H37N9O12 703.2562 NA KEGG NA NA +PJ019014 GNDDHF C29H37N9O12 703.2562 NA PeJP NA NA +PJ019015 CQMHW C30H41N9O7S2 703.2571 NA PeJP NA NA +MJ091217 Cephabacin F; Cephabacin F4 C26H41N9O12S 703.259538 NA MeJP NA NA +PJ019016 SSNEMH C26H41N9O12S 703.2596 NA PeJP NA NA +PJ019017 GCNHHH C27H37N13O8S 703.2609 NA PeJP NA NA +PJ019018 SPPCDW C31H41N7O10S 703.2636 NA PeJP NA NA +PJ019019 SSSSSSY C27H41N7O15 703.2661 NA PeJP NA NA +PJ019020 STCCKY C28H45N7O10S2 703.2669 NA PeJP NA NA +PJ019021 PPNDMM C28H45N7O10S2 703.267 NA PeJP NA NA +PJ019022 CCHRW C29H41N11O6S2 703.2683 NA PeJP NA NA +PJ019023 TEEYY C32H41N5O13 703.2701 NA PeJP NA NA +PJ019024 SSCDHR C25H41N11O11S 703.2708 NA PeJP NA NA +PJ019025 PMMYY C33H45N5O8S2 703.271 NA PeJP NA NA +PJ019026 GSSMHW C30H41N9O9S 703.2748 NA PeJP NA NA +PJ019027 SPDDDR C26H41N9O14 703.2773 NA PeJP NA NA +PJ019028 GGGGGAAEE C26H41N9O14 703.2774 NA PeJP NA NA +PJ019029 PPCCER C27H45N9O9S2 703.2782 NA PeJP NA NA +PJ019030 GSSQYY C31H41N7O12 703.2813 NA PeJP NA NA +PJ019031 GSPEEW C31H41N7O12 703.2814 NA PeJP NA NA +PJ019032 APPCMW C32H45N7O7S2 703.2822 NA PeJP NA NA +PJ019033 APQEEM C28H45N7O12S 703.2847 NA PeJP NA NA +PJ019034 PDFYY C36H41N5O10 703.2854 NA PeJP NA NA +PJ019035 PPCNHH C29H41N11O8S 703.2861 NA PeJP NA NA +PJ019036 SNNNQQ C25H41N11O13 703.2885 NA PeJP NA NA +PJ019037 GNNDER C25H41N11O13 703.2886 NA PeJP NA NA +PJ019038 VEMYY C33H45N5O10S 703.2887 NA PeJP NA NA +PJ019039 GTCMHR C26H45N11O8S2 703.2894 NA PeJP NA NA +PJ019040 SSSTHW C30H41N9O11 703.2926 NA PeJP NA NA +PJ019041 CKMHW C31H45N9O6S2 703.2934 NA PeJP NA NA +PJ019042 SSDKMH C27H45N9O11S 703.2959 NA PeJP NA NA +PJ019043 GPDEMR C27H45N9O11S 703.296 NA PeJP NA NA +PJ019044 SPEWW C35H41N7O9 703.2966 NA PeJP NA NA +MJ091218 Naphthomycin B; Dechloro, 30,37-dihydroxy C39H45NO11 703.299261 NA MeJP NA NA +PJ019045 AAPEMW C32H45N7O9S 703.3 NA PeJP NA NA +PJ019046 GLQEEE C28H45N7O14 703.3025 NA PeJP NA NA +PJ019047 PPTQMM C29H49N7O9S2 703.3033 NA PeJP NA NA +PJ019048 PPCKEM C29H49N7O9S2 703.3034 NA PeJP NA NA +PJ019049 NNDRW C29H41N11O10 703.3038 NA PeJP NA NA +PJ019050 PMFFY C37H45N5O7S 703.304 NA PeJP NA NA +PJ019051 HHHHH C30H37N15O6 703.3052 NA PeJP NA NA +PJ019052 SSSMHR C26H45N11O10S 703.3072 NA PeJP NA NA +PJ019053 LMMFY C34H49N5O7S2 703.3074 NA PeJP NA NA +PJ019054 GQQWW C34H41N9O8 703.3078 NA PeJP NA NA +PJ019055 PDMRW C31H45N9O8S 703.3112 NA PeJP NA NA +PJ019056 AAEEER C27H45N9O13 703.3137 NA PeJP NA NA +PJ019057 PPTCMR C28H49N9O8S2 703.3146 NA PeJP NA NA +PJ019058 PCLWW C36H45N7O6S 703.3152 NA PeJP NA NA +PJ019059 LQEEW C32H45N7O11 703.3177 NA PeJP NA NA +PJ019060 PQHHW C33H41N11O7 703.3191 NA PeJP NA NA +PJ019061 APKEEM C29H49N7O11S 703.3211 NA PeJP NA NA +PJ019062 PVYYY C37H45N5O9 703.3217 NA PeJP NA NA +PJ019063 VEFFY C37H45N5O9 703.3218 NA PeJP NA NA +PJ019064 NMHFR C30H45N11O7S 703.3224 NA PeJP NA NA +PJ019065 GGMHFR C30H45N11O7S 703.3225 NA PeJP NA NA +PJ019066 DEERR C26H45N11O12 703.3249 NA PeJP NA NA +PJ019067 GGGGATER C26H45N11O12 703.325 NA PeJP NA NA +PJ019068 VDERW C31H45N9O10 703.329 NA PeJP NA NA +PJ019069 APTEMR C28H49N9O10S 703.3323 NA PeJP NA NA +PJ019070 GGGGPTKM C28H49N9O10S 703.3324 NA PeJP NA NA +PJ019071 ALEWW C36H45N7O8 703.333 NA PeJP NA NA +PJ019072 GSNDRR C25H45N13O11 703.3362 NA PeJP NA NA +PJ019073 CKKYY C33H49N7O8S 703.3363 NA PeJP NA NA +PJ019074 GPTLMW C33H49N7O8S 703.3364 NA PeJP NA NA +PJ019075 PFFFF C41H45N5O6 703.337 NA PeJP NA NA +PJ019076 SPPTTTT C29H49N7O13 703.3388 NA PeJP NA NA +PJ019077 GLKEEE C29H49N7O13 703.3389 NA PeJP NA NA +PJ019078 PPTKMM C30H53N7O8S2 703.3397 NA PeJP NA NA +PJ019079 SQQRW C30H45N11O9 703.3402 NA PeJP NA NA +PJ019080 LMFFF C38H49N5O6S 703.3404 NA PeJP NA NA +8282 Antioxidative peptide ISELGW 703.342 NA ;SYN:(+/-)-2-Aminoadipate; (+/-)-2-Aminoadipic acid; 2-Aminoadipate; 2-Aminoadipic acid; Aminoadipate; DL-2-Aminoadipate; DL-2-Aminoadipic acid; DL-2-Aminohexanedioate; DL-2-Aminohexanedioic acid; DL-a-Aminoadipate; DL-a-Aminoadipic acid; a-Aminoadipate; a-Aminoadipic acid; alpha-Amino-adipic acid; DL-alpha-Aminoadipate; DL-alpha-Aminoadipic acid; alpha-Aminoadipate; alpha-Aminoadipic acid; L-2-aminoadipate; L-alpha-Aminoadipate; L-alpha-Aminoadipic acid; L-2-Aminoadipic acid; L-2-Aminohexanedioate; L-2-Aminohexanedioic acidH2Blood; Urine Inhouse_peptide NA peptide +PJ019081 AAQQMR C27H49N11O9S 703.3436 NA PeJP NA NA +PJ019082 GQKWW C35H45N9O7 703.3442 NA PeJP NA NA +PJ019083 GPPMFR C32H49N9O7S 703.3476 NA PeJP NA NA +PJ019084 GTLEER C28H49N9O12 703.3501 NA PeJP NA NA +PJ019085 GPLMMR C29H53N9O7S2 703.351 NA PeJP NA NA +PJ019086 GPTHHR C29H45N13O8 703.3514 NA PeJP NA NA +PJ019087 LKEEW C33H49N7O10 703.3541 NA PeJP NA NA +PJ019088 NQMRR C26H49N13O8S 703.3548 NA PeJP NA NA +PJ019089 PKHHW C34H45N11O6 703.3555 NA PeJP NA NA +PJ019090 SPLKEM C30H53N7O10S 703.3575 NA PeJP NA NA +PJ019091 VLFYY C38H49N5O8 703.3581 NA PeJP NA NA +PJ019092 GSQKER C27H49N11O11 703.3613 NA PeJP NA NA +PJ019093 GGGGGGSKK C27H49N11O11 703.3614 NA PeJP NA NA +PJ019094 TLERW C32H49N9O9 703.3653 NA PeJP NA NA +MJ091219 Leptinotarsa decemlineata Myotropic neuropeptide I C32H49N9O9 703.365324 NA MeJP NA NA +PJ019095 NKKEW C32H49N9O9 703.3654 NA PeJP NA NA +PJ019096 CNRRR C25H49N15O7S 703.366 NA PeJP NA NA +PJ019097 GGCRRR C25H49N15O7S 703.3661 NA PeJP NA NA +PJ019098 GVLEMR C29H53N9O9S 703.3687 NA PeJP NA NA +PJ019099 SLLWW C37H49N7O7 703.3694 NA PeJP NA NA +PJ019100 GSTQRR C26H49N13O10 703.3726 NA PeJP NA NA +PJ019101 AALLMW C34H53N7O7S 703.3728 NA PeJP NA NA +PJ019102 SVLKEE C30H53N7O12 703.3752 NA PeJP NA NA +PJ019103 VVTKEE C30H53N7O12 703.3753 NA PeJP NA NA +PJ019104 PVVKMM C31H57N7O7S2 703.3761 NA PeJP NA NA +PJ019105 SQKRW C31H49N11O8 703.3766 NA PeJP NA NA +PJ019106 LEMRR C28H53N11O8S 703.38 NA PeJP NA NA +PJ019107 GKKWW C36H49N9O6 703.3806 NA PeJP NA NA +PJ019108 VLMRW C33H53N9O6S 703.384 NA PeJP NA NA +PJ019109 SSLLER C29H53N9O11 703.3865 NA PeJP NA NA +PJ019110 AALHHR C30H49N13O7 703.3878 NA PeJP NA NA +MJ091220 Citrusin I C34H53N7O9 703.390476 NA MeJP NA NA +PJ019111 ATTLLW C34H53N7O9 703.3905 NA PeJP NA NA +PJ019112 NKMRR C27H53N13O7S 703.3912 NA PeJP NA NA +PJ019113 ALLKEM C31H57N7O9S 703.3939 NA PeJP NA NA +MJ091221 Antibiotic M 6124 C39H53N5O7 703.394499 NA MeJP NA NA +PJ019114 GSKKER C28H53N11O10 703.3977 NA PeJP NA NA +PJ019115 VHHRR C29H49N15O6 703.3991 NA PeJP NA NA +PJ019116 DKKKW C33H53N9O8 703.4017 NA PeJP NA NA +PJ019117 GGAPKKF C33H53N9O8 703.4018 NA PeJP NA NA +PJ019118 ATLLMR C30H57N9O8S 703.4051 NA PeJP NA NA +PJ019119 GSTKRR C27H53N13O9 703.409 NA PeJP NA NA +PJ019120 TTLLKE C31H57N7O11 703.4116 NA PeJP NA NA +PJ019121 SKKRW C32H53N11O7 703.413 NA PeJP NA NA +MJ091222 Oleandomycin; 6-Hydroxy C35H61NO13 703.414291 NA MeJP NA NA +PJ019122 AAKKMR C29H57N11O7S 703.4164 NA PeJP NA NA +PJ019123 TTTLLR C30H57N9O10 703.4229 NA PeJP NA NA +PJ019124 APLLKY C35H57N7O8 703.4269 NA PeJP NA NA +C15709 Spinosyn P C39H61NO10 703.4295 NA KEGG NA NA +MJ091223 Spinosyn; Spinosyn A, 2',3'-Di-O-de-Me C39H61NO10 703.429547 NA MeJP NA NA +MJ091224 Spinosyn; Spinosyn A, 3',4'-Di-O-de-Me C39H61NO10 703.429547 NA MeJP NA NA +MJ091225 Spinosyn; Spinosyn A, O3',N-Di-de-Me C39H61NO10 703.429547 NA MeJP NA NA +MJ091226 Spinosyn; Spinosyn E, 2'-O-De-Me C39H61NO10 703.429547 NA MeJP NA NA +MJ091227 Spinosyn; Spinosyn E, 4'-O-De-Me C39H61NO10 703.429547 NA MeJP NA NA +PJ019125 SLLLKM C32H61N7O8S 703.4303 NA PeJP NA NA +MJ091228 Carmabin A C40H57N5O6 703.430884 NA MeJP NA NA +PJ019126 ATTKKR C29H57N11O9 703.4341 NA PeJP NA NA +PJ019127 GVLLFR C34H57N9O7 703.4381 NA PeJP NA NA +PJ019128 GLKKKM C31H61N9O7S 703.4415 NA PeJP NA NA +HMDB12344 PS(14:1(9Z)/16:1(9Z)) C36H66NO10P 703.442444 NA HMDB2010 NA NA +HMDB12364 PS(16:1(9Z)/14:1(9Z)) C36H66NO10P 703.442444 NA HMDB2010 NA NA +PJ019129 LLFRR C33H57N11O6 703.4494 NA PeJP NA NA +MJ091229 Erythromycin D C36H65NO12 703.450676 NA MeJP NA NA +MJ091230 15-Norerythromycin A; 6-Deoxy C36H65NO12 703.450676 NA MeJP NA NA +MJ091231 2-Norerythromycin; 12-Deoxy C36H65NO12 703.450676 NA MeJP NA NA +MJ091232 Antibiotic P 15149 C36H65NO12 703.450676 NA MeJP NA NA +MJ091233 Erythromycin D C36H65NO12 703.450676 NA MeJP NA NA +MJ091234 Erythromycin; 6-Deoxy, 3''-O-de-Me C36H65NO12 703.450676 NA MeJP NA NA +C06633 Erythromycin D C36H65NO12 703.4507 NA KEGG NA NA +MJ091235 Microginin 91C C37H61N5O8 703.452013 NA MeJP NA NA +PJ019130 VTTKKK C31H61N9O9 703.4592 NA PeJP NA NA +PJ019131 STLKKK C31H61N9O9 703.4593 NA PeJP NA NA +MJ091236 Heterophyllin C C36H61N7O7 703.463247 NA MeJP NA NA +PJ019132 ALLLKF C36H61N7O7 703.4633 NA PeJP NA NA +HMDB07870 PC(14:0/16:1(9Z)) C38H74NO8P 703.515198 NA HMDB2010 NA NA +HMDB07902 PC(14:1(9Z)/16:0) C38H74NO8P 703.515198 NA HMDB2010 NA NA +HMDB07966 PC(16:0/14:1(9Z)) C38H74NO8P 703.515198 NA HMDB2010 NA NA +HMDB07998 PC(16:1(9Z)/14:0) C38H74NO8P 703.515198 NA HMDB2010 NA NA +HMDB08893 PE(15:0/18:1(11Z)) C38H74NO8P 703.515198 NA HMDB2010 NA NA +HMDB08894 PE(15:0/18:1(9Z)) C38H74NO8P 703.515198 NA HMDB2010 NA NA +HMDB09021 PE(18:1(11Z)/15:0) C38H74NO8P 703.515198 NA HMDB2010 NA NA +HMDB09054 PE(18:1(9Z)/15:0) C38H74NO8P 703.515198 NA HMDB2010 NA NA +HMDB07961 PC(15:0/P-16:0) C39H78NO7P 703.551575 NA HMDB2010 NA NA +HMDB08950 PE(16:0/P-18:0) C39H78NO7P 703.551575 NA HMDB2010 NA NA +HMDB09015 PE(18:0/P-16:0) C39H78NO7P 703.551575 NA HMDB2010 NA NA +HMDB11157 PE(P-16:0e/18:1(9Z)) C39H78NO7P 703.551575 NA HMDB2010 NA NA +HMDB11205 PC(P-16:0/15:0) C39H78NO7P 703.551575 NA HMDB2010 NA NA +HMDB11340 PE(P-16:0/18:0) C39H78NO7P 703.551575 NA HMDB2010 NA NA +HMDB11371 PE(P-18:0/16:0) C39H78NO7P 703.551575 NA HMDB2010 NA NA +HMDB10169 SM(d18:1/16:0) C39H80N2O6P 703.575378 NA HMDB2010 NA NA +EUR1064 SM(d18:1/16:0) monoisotopic mass C39H80N2O6P 703.575401 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1064 SM(d18:1/16:0) monoisotopic mass C39H80N2O6P 703.575401 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1064 SM(d18:1/16:0) monoisotopic mass C39H80N2O6P 703.575401 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1064 SM(d18:1/16:0) monoisotopic mass C39H80N2O6P 703.575401 masses lipides attendues Inhousejuil11 NA NA +7026 synthetic peptide from alpha-gliadin HNVVHAIILHQQ 703.87895 MH2+ Inhouse_peptide NA peptide +PJ019133 GCCCCCN C21H36N8O9S5 704.1209 NA PeJP NA NA +FL5FADGSS002 Isorhamnetin 3-(4''-sulfatorutinoside);Quercetin 3'-methyl ether 3-(4''-sulfatorutinoside);3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-4-O-sulfo-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C28H32O19S 704.12584 183552-43-4 knapsack NA NA +MJ091237 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-L-Rhamnopyranosyl, 4''-O-sulfate C28H32O19S 704.125849 NA MeJP NA NA +MJ091238 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-L-Rhamnopyranosyl, O-sulfate C28H32O19S 704.125849 NA MeJP NA NA +PJ019134 CCCDMM C23H40N6O9S5 704.1461 NA PeJP NA NA +PJ019135 CCCDDF C26H36N6O11S3 704.1605 NA PeJP NA NA +PJ019136 CCCCHH C24H36N10O7S4 704.1652 NA PeJP NA NA +MJ091239 3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone; 3''-Deoxy, 7''-O-?-D-glucopyranoside C36H32O15 704.17412 NA MeJP NA NA +MJ091240 Diinsinin C36H32O15 704.17412 NA MeJP NA NA +MJ091241 Occidentoside C36H32O15 704.17412 NA MeJP NA NA +PJ019137 SCCDDY C26H36N6O13S2 704.1782 NA PeJP NA NA +PJ019138 SCCMMM C24H44N6O8S5 704.1824 NA PeJP NA NA +MJ091242 2-Amino-2-deoxyglucose; ?-D-Pyranose-form, Pentakis(3-pyridinecarbonyl) C36H28N6O10 704.186691 NA MeJP NA NA +MJ091243 Diphyllin; O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C33H36O17 704.195249 NA MeJP NA NA +PJ019139 GCCEMY C27H40N6O10S3 704.1968 NA PeJP NA NA +PJ019140 CCNNDH C24H36N10O11S2 704.2007 NA PeJP NA NA +PJ019141 SCDDEH C25H36N8O14S 704.2072 NA PeJP NA NA +PJ019142 PCCDMH C26H40N8O9S3 704.2081 NA PeJP NA NA +PJ019143 CCMYW C31H40N6O7S3 704.2121 NA PeJP NA NA +PJ019144 PDDDDE C26H36N6O17 704.2137 NA PeJP NA NA +PJ019145 SSCDMY C27H40N6O12S2 704.2146 NA PeJP NA NA +PJ019146 ACCMMF C28H44N6O7S4 704.2155 NA PeJP NA NA +PJ019147 GDDMMH C26H40N8O11S2 704.2258 NA PeJP NA NA +PJ019148 GPCCYY C31H40N6O9S2 704.2298 NA PeJP NA NA +PJ019149 GCCEFF C31H40N6O9S2 704.2299 NA PeJP NA NA +FLIF1LGF0002 Amorphigenin O-vicianoside;Amorphin;Fruticin;Frutitsin C34H40O16 704.23163 4207-90-3 knapsack NA NA +MJ091244 1,2,3,6,9,12,14-Heptahydroxy-8-oxodihydro-?-agarofuran, 12-Benzoyl, 1,2,3,6,9,14-hexa-Ac C34H40O16 704.231635 NA MeJP NA NA +MJ091245 Amorphigenin; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C34H40O16 704.231635 NA MeJP NA NA +MJ091246 Bruceosin; 15-Deacyl, 15-benzoyl, 2-O-?-D-glucopyranoside C34H40O16 704.231635 NA MeJP NA NA +MJ091247 Trioxacarcin A; O13-Deglycosyl C34H40O16 704.231635 NA MeJP NA NA +PJ019150 GTCMMY C28H44N6O9S3 704.2332 NA PeJP NA NA +PJ019151 NNNNDD C24H36N10O15 704.2362 NA PeJP NA NA +PJ019152 SCNNMH C25H40N10O10S2 704.2371 NA PeJP NA NA +MJ091248 Itraconazole C35H38Cl2N8O4 704.239307 NA MeJP NA NA +PJ019153 GDDDHF C29H36N8O13 704.2402 NA PeJP NA NA +PJ019154 CEMHW C30H40N8O8S2 704.2411 NA PeJP NA NA +PJ019155 SSDEMH C26H40N8O13S 704.2436 NA PeJP NA NA +MJ091249 Antibiotic Sch 64874 C34H44N2O10S2 704.243737 NA MeJP NA NA +PJ019156 SPCMMH C27H44N8O8S3 704.2444 NA PeJP NA NA +PJ019157 GCDHHH C27H36N12O9S 704.2449 NA PeJP NA NA +PJ019158 CCFFW C35H40N6O6S2 704.2451 NA PeJP NA NA +PJ019159 NDMYY C31H40N6O11S 704.2476 NA PeJP NA NA +PJ019160 SPDEEE C27H40N6O16 704.2501 NA PeJP NA NA +PJ019161 SSSMMY C28H44N6O11S2 704.251 NA PeJP NA NA +MJ091250 Argylioside C31H44O18 704.252764 NA MeJP NA NA +MJ091251 Catalpol 7-deoxyloganate C31H44O18 704.252764 NA MeJP NA NA +MJ091252 Glaucarubol; 18-Hydroxy, 2-ketone, 15-O-[?-D-xylofuranosyl-(1?6)-?-D-glucopyranoside] C31H44O18 704.252764 NA MeJP NA NA +PJ019162 GSSSCQH C25H40N10O12S 704.2548 NA PeJP NA NA +MJ091253 25-Methylergostane-2,3,6,15-tetrol, 2,3,6-Tri-O-sulfate C29H52O13S3 704.257003 NA MeJP NA NA +PJ019163 GPCNEW C30H40N8O10S 704.2588 NA PeJP NA NA +PJ019164 GNQEEE C26H40N8O15 704.2613 NA PeJP NA NA +PJ019165 GGGQEEE C26H40N8O15 704.2614 NA PeJP NA NA +PJ019166 GTEMMH C27H44N8O10S2 704.2622 NA PeJP NA NA +PJ019167 ACYYW C35H40N6O8S 704.2628 NA PeJP NA NA +PJ019168 SCFYW C35H40N6O8S 704.2629 NA PeJP NA NA +PJ019169 GSSEYY C31H40N6O13 704.2654 NA PeJP NA NA +PJ019170 NMMFY C32H44N6O8S2 704.2662 NA PeJP NA NA +MJ091254 Azadirachtin H; 11-Epimer, 11-Ac C35H44O15 704.26802 NA MeJP NA NA +MJ091255 Azadirachtin; 11-Deoxy C35H44O15 704.26802 NA MeJP NA NA +MJ091256 Azadirachtin; 13,14-Deepoxy(?13) C35H44O15 704.26802 NA MeJP NA NA +MJ091257 Woorenogenin; 9-O-[6-O-(4-Hydroxy-2-methylenebutanoyl)-?-D-glucopyranoside], 9'-Ac C35H44O15 704.26802 NA MeJP NA NA +PJ019171 APEEEM C28H44N6O13S 704.2687 NA PeJP NA NA +PJ019172 GCNQHF C29H40N10O9S 704.2701 NA PeJP NA NA +PJ019173 GNDDER C25H40N10O14 704.2726 NA PeJP NA NA +PJ019174 SCCQKH C26H44N10O9S2 704.2734 NA PeJP NA NA +PJ019175 GGTCCKH C26H44N10O9S2 704.2735 NA PeJP NA NA +PJ019176 PCNWW C34H40N8O7S 704.2741 NA PeJP NA NA +PJ019177 NQEEW C30H40N8O12 704.2766 NA PeJP NA NA +PJ019178 TMMHW C31H44N8O7S2 704.2775 NA PeJP NA NA +PJ019179 STTEMH C27H44N8O12S 704.28 NA PeJP NA NA +PJ019180 SSYYW C35H40N6O10 704.2806 NA PeJP NA NA +PJ019181 GVMMMH C28H48N8O7S3 704.2808 NA PeJP NA NA +PJ019182 GSMHHH C28H40N12O8S 704.2813 NA PeJP NA NA +PJ019183 TQMYY C32H44N6O10S 704.284 NA PeJP NA NA +PJ019184 GLEEEE C28H44N6O15 704.2865 NA PeJP NA NA +PJ019185 PPTEMM C29H48N6O10S2 704.2874 NA PeJP NA NA +PJ019186 NDDRW C29H40N10O11 704.2878 NA PeJP NA NA +PJ019187 GGGGGGASW C29H40N10O11 704.2879 NA PeJP NA NA +MJ091258 Jasminin; O-?-D-Glucopyranoside C32H48O17 704.28915 NA MeJP NA NA +PJ019188 SPCNER C26H44N10O11S 704.2912 NA PeJP NA NA +PJ019189 ANEWW C34H40N8O9 704.2918 NA PeJP NA NA +PJ019190 GQEWW C34H40N8O9 704.2919 NA PeJP NA NA +PJ019191 MMMHR C27H48N10O6S3 704.2921 NA PeJP NA NA +PJ019192 GSPQMW C31H44N8O9S 704.2952 NA PeJP NA NA +PJ019193 GNKEEE C27H44N8O14 704.2977 NA PeJP NA NA +PJ019194 SSLMMH C28H48N8O9S2 704.2986 NA PeJP NA NA +PJ019195 SSTHHH C28H40N12O10 704.2991 NA PeJP NA NA +PJ019196 NMFFF C36H44N6O7S 704.2992 NA PeJP NA NA +PJ019197 GGMFFF C36H44N6O7S 704.2993 NA PeJP NA NA +PJ019198 GTTTYY C32H44N6O12 704.3017 NA PeJP NA NA +PJ019199 LEEEW C32H44N6O12 704.3018 NA PeJP NA NA +PJ019200 GNNNMR C25H44N12O10S 704.3024 NA PeJP NA NA +PJ019201 GGGGGNMR C25H44N12O10S 704.3025 NA PeJP NA NA +PJ019202 PEHHW C33H40N10O8 704.3031 NA PeJP NA NA +MJ091259 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 2,14-bis(2-methylpropanoyl), 1,6,8-tri-Ac C36H48O14 704.304406 NA MeJP NA NA +MJ091260 Trichilia lactone D5 C36H48O14 704.304406 NA MeJP NA NA +PJ019203 SPLEEM C29H48N6O12S 704.3051 NA PeJP NA NA +PJ019204 PPVMMM C30H52N6O7S3 704.306 NA PeJP NA NA +PJ019205 GSPCRW C30H44N10O8S 704.3065 NA PeJP NA NA +PJ019206 QWWW C38H40N8O6 704.3071 NA PeJP NA NA +PJ019207 SSQQQQ C26H44N10O13 704.3089 NA PeJP NA NA +PJ019208 GSQEER C26H44N10O13 704.309 NA PeJP NA NA +PJ019209 GPNMMR C27H48N10O8S2 704.3098 NA PeJP NA NA +PJ019210 CLHFW C35H44N8O6S 704.3105 NA PeJP NA NA +PJ019211 NKEEW C31H44N8O11 704.313 NA PeJP NA NA +PJ019212 QHHHF C32H40N12O7 704.3143 NA PeJP NA NA +PJ019213 SPNKEM C28H48N8O11S 704.3163 NA PeJP NA NA +PJ019214 GGSPKEM C28H48N8O11S 704.3164 NA PeJP NA NA +PJ019215 VNFYY C36H44N6O9 704.317 NA PeJP NA NA +PJ019216 GSDDRR C25H44N12O12 704.3202 NA PeJP NA NA +PJ019217 TKMYY C33H48N6O9S 704.3204 NA PeJP NA NA +PJ019218 APCCRR C26H48N12O7S2 704.3211 NA PeJP NA NA +PJ019219 SVLEEE C29H48N6O14 704.3229 NA PeJP NA NA +PJ019220 PVVEMM C30H52N6O9S2 704.3238 NA PeJP NA NA +PJ019221 SQERW C30H44N10O10 704.3242 NA PeJP NA NA +MJ091261 Orthoesterol B; Disulfate C34H56O11S2 704.326404 NA MeJP NA NA +PJ019222 AAQEMR C27H48N10O10S 704.3276 NA PeJP NA NA +PJ019223 GKEWW C35H44N8O8 704.3282 NA PeJP NA NA +PJ019224 GGAAPFW C35H44N8O8 704.3283 NA PeJP NA NA +MJ091262 Kidamycin; 1',S,2'S-Epoxide C39H48N2O10 704.330895 NA MeJP NA NA +PJ019225 GSPKMW C32H48N8O8S 704.3316 NA PeJP NA NA +PJ019226 GDKKEE C28H48N8O13 704.3341 NA PeJP NA NA +PJ019227 APQKMM C29H52N8O8S2 704.335 NA PeJP NA NA +PJ019228 GVQQHH C29H44N12O9 704.3355 NA PeJP NA NA +PJ019229 SPPLEY C33H48N6O11 704.3381 NA PeJP NA NA +PJ019230 NEMRR C26H48N12O9S 704.3388 NA PeJP NA NA +PJ019231 GTRWW C34H44N10O7 704.3395 NA PeJP NA NA +MJ091263 2,3,16,20,25-Pentahydroxy-29-norcucurbita-1,3,5(10),6-tetraene-11,22-dione, 25-Ac, 2-O-?-D-glucopyranoside C37H52O13 704.340791 NA MeJP NA NA +MJ091264 Aquastatin B; 4'-O-?-D-Glucuronopyranoside, 6''-Me ester C37H52O13 704.340791 NA MeJP NA NA +MJ091265 Fevicordin F; 22-Ketone, O25-Ac, 2-O-?-D-glucopyranoside C37H52O13 704.340791 NA MeJP NA NA +MJ091266 Fevicordin F; 6,7-Didehydro, 25-Ac, 3-O-?-D-glucopyranoside C37H52O13 704.340791 NA MeJP NA NA +MJ091267 p-Mentha-1,3,5-triene-2,3-diol; 3-O-[3-O-Angeloyl-?-D-fucopyranosyl-(1?3)-2,4-di-O-angeloyl-6-deoxy-?-D-glucopyranoside] C37H52O13 704.340791 NA MeJP NA NA +MJ091268 p-Mentha-1,3,5-triene-2,3-diol; 3-O-[3-O-Angeloyl-?-D-fucopyranosyl-(1?3)-2,4-di-O-angeloyl-?-D-fucopyranoside] C37H52O13 704.340791 NA MeJP NA NA +MJ091269 p-Mentha-1,3,5-triene-2,3-diol; 3-O-[4-O-Angeloyl-?-D-fucopyranosyl-(1?3)-2,4-di-O-angeloyl-?-D-fucopyranoside] C37H52O13 704.340791 NA MeJP NA NA +PJ019232 ALLEEM C30H52N6O11S 704.3415 NA PeJP NA NA +PJ019233 VNMRW C31H48N10O7S 704.3428 NA PeJP NA NA +PJ019234 GGVMRW C31H48N10O7S 704.3429 NA PeJP NA NA +PJ019235 KWWW C39H44N8O5 704.3435 NA PeJP NA NA +MJ091270 Ergosta-4,22-diene-3,6,8,15,16,26-hexol, 3-O-[2-O-Methyl-?-D-xylopyranoside], 15-sulfate C34H56O13S 704.344162 NA MeJP NA NA +MJ091271 Ergosta-4,22-diene-3,6,8,15,16,28-hexol, 3-O-[2-O-Methyl-?-D-xylopyranoside], 15-sulfate C34H56O13S 704.344162 NA MeJP NA NA +PJ019236 GSKEER C27H48N10O12 704.3453 NA PeJP NA NA +PJ019237 GASVTDR C27H48N10O12 704.3454 NA PeJP NA NA +PJ019238 APCKMR C28H52N10O7S2 704.3462 NA PeJP NA NA +PJ019239 QQHHR C28H44N14O8 704.3467 NA PeJP NA NA +PJ019240 DKKEW C32H48N8O10 704.3494 NA PeJP NA NA +PJ019241 CDRRR C25H48N14O8S 704.3501 NA PeJP NA NA +PJ019242 KHHHF C33H44N12O6 704.3507 NA PeJP NA NA +PJ019243 GLQKEM C29H52N8O10S 704.3527 NA PeJP NA NA +PJ019244 GGALKEM C29H52N8O10S 704.3528 NA PeJP NA NA +MJ091272 Antibiotic A 54556; Antibiotic A 54556B C37H48N6O8 704.353362 NA MeJP NA NA +PJ019245 TKFFY C37H48N6O8 704.3534 NA PeJP NA NA +PJ019246 GMRRW C30H48N12O6S 704.3541 NA PeJP NA NA +PJ019247 GSTERR C26H48N12O11 704.3566 NA PeJP NA NA +PJ019248 PPVVMY C34H52N6O8S 704.3568 NA PeJP NA NA +MJ091273 Peceyline C42H48N4O6 704.357385 NA MeJP NA NA +MJ091274 Pelankine C42H48N4O6 704.357385 NA MeJP NA NA +MJ091275 Tetrastachyne; 14,15-Didehydro C42H48N4O6 704.357385 NA MeJP NA NA +MJ091276 Tetrastachynine; 14,15-Didehydro C42H48N4O6 704.357385 NA MeJP NA NA +PJ019249 TTLLEE C30H52N6O13 704.3593 NA PeJP NA NA +PJ019250 PTLLMM C31H56N6O8S2 704.3601 NA PeJP NA NA +PJ019251 SKERW C31H48N10O9 704.3606 NA PeJP NA NA +PJ019252 AAKEMR C28H52N10O9S 704.364 NA PeJP NA NA +PJ019253 SVKWW C36H48N8O7 704.3646 NA PeJP NA NA +PJ019254 LQKMW C33H52N8O7S 704.368 NA PeJP NA NA +PJ019255 ATKKEE C29H52N8O12 704.3705 NA PeJP NA NA +PJ019256 APKKMM C30H56N8O7S2 704.3714 NA PeJP NA NA +PJ019257 STRRW C30H48N12O8 704.3718 NA PeJP NA NA +PJ019258 GAAPPHR C30H48N12O8 704.3719 NA PeJP NA NA +PJ019259 APLLEY C34H52N6O10 704.3745 NA PeJP NA NA +PJ019260 DKMRR C27H52N12O8S 704.3752 NA PeJP NA NA +PJ019261 LLHHW C35H48N10O6 704.3759 NA PeJP NA NA +MJ091277 2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione, 16-O-(2-O-Acetyl-6-deoxy-?-L-ribo-hexopyranos-3-uloside) C38H56O12 704.377177 NA MeJP NA NA +PJ019262 SLLLEM C31H56N6O10S 704.3779 NA PeJP NA NA +PJ019263 CLKRW C32H52N10O6S 704.3792 NA PeJP NA NA +PJ019264 ATTKER C28H52N10O11 704.3817 NA PeJP NA NA +MJ091278 Reticulatine A; 16'-Deoxo C44H52N2O6 704.382537 NA MeJP NA NA +PJ019265 QKHHR C29H48N14O7 704.3831 NA PeJP NA NA +PJ019266 ASTLKW C33H52N8O9 704.3857 NA PeJP NA NA +PJ019267 GTTLKW C33H52N8O9 704.3858 NA PeJP NA NA +PJ019268 SMRRR C26H52N14O7S 704.3864 NA PeJP NA NA +PJ019269 GLKKEM C30H56N8O9S 704.3891 NA PeJP NA NA +MJ091279 3,12-Bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioic acid, Di-Me ester C38H52N6O7 704.389748 NA MeJP NA NA +PJ019270 PPVVFF C38H52N6O7 704.3898 NA PeJP NA NA +PJ019271 SSSLRR C27H52N12O10 704.393 NA PeJP NA NA +PJ019272 PVVLMF C35H56N6O7S 704.3932 NA PeJP NA NA +MJ091280 Alstocraline C43H52N4O5 704.39377 NA MeJP NA NA +MJ091281 Conoduramine C43H52N4O5 704.39377 NA MeJP NA NA +MJ091282 Conodurine C43H52N4O5 704.39377 NA MeJP NA NA +MJ091283 Macralstonine C43H52N4O5 704.39377 NA MeJP NA NA +MJ091284 Voacamidine C43H52N4O5 704.39377 NA MeJP NA NA +MJ091285 Voacamine C43H52N4O5 704.39377 NA MeJP NA NA +C09252 Voacamine C43H52N4O5 704.3938 NA KEGG NA NA +PJ019273 VVLLMM C32H60N6O7S2 704.3965 NA PeJP NA NA +PJ019274 AAPKRY C32H52N10O8 704.397 NA PeJP NA NA +PJ019275 GTLKMR C29H56N10O8S 704.4004 NA PeJP NA NA +PJ019276 PKKFW C37H52N8O6 704.401 NA PeJP NA NA +PJ019277 LKKMW C34H56N8O6S 704.4044 NA PeJP NA NA +PJ019278 STLKKE C30H56N8O11 704.4069 NA PeJP NA NA +PJ019279 VQFRR C31H52N12O7 704.4082 NA PeJP NA NA +PJ019280 SPLLLY C35H56N6O9 704.4109 NA PeJP NA NA +MJ091286 3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-arabinopyranoside] C39H60O11 704.413562 NA MeJP NA NA +PJ019281 STTLKR C29H56N10O10 704.4181 NA PeJP NA NA +PJ019282 AFRRR C30H52N14O6 704.4195 NA PeJP NA NA +PJ019283 GPLKKY C34H56N8O8 704.4221 NA PeJP NA NA +PJ019284 GGAILKF C34H56N8O8 704.4222 NA PeJP NA NA +PJ019285 SVLKKM C31H60N8O8S 704.4255 NA PeJP NA NA +PJ019286 AALKFR C33H56N10O7 704.4334 NA PeJP NA NA +PJ019287 ACKKKK C30H60N10O7S 704.4368 NA PeJP NA NA +PJ019288 VKFRR C32H56N12O6 704.4446 NA PeJP NA NA +PJ019289 ALLLLY C36H60N6O8 704.4473 NA PeJP NA NA +PJ019290 SSKKKK C30H60N10O9 704.4545 NA PeJP NA NA +PJ019291 GLLKKF C35H60N8O7 704.4585 NA PeJP NA NA +MJ091287 Minalemines; Minalemine C, N13-Sulfate C31H64N10O6S 704.4731 NA MeJP NA NA +MJ091288 12-Ursen-3-ol, O-[?-L-Rhamnopyranosyl-(1?5)-?-D-xylofuranoside] C41H68O9 704.486333 NA MeJP NA NA +MJ091289 29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-O-(3,6-Anhydro-?-D-galacturonopyranoside) C41H68O9 704.486333 NA MeJP NA NA +MJ091290 Bistramide A C40H68N2O8 704.497567 NA MeJP NA NA +MJ091291 2,2'-Bis(4-hydroxy-3-methyl-2-butenyl)-?,?-carotene C50H72O2 704.553231 NA MeJP NA NA +MJ091292 2-(4-Hydroxy-3-methyl-2-butenyl)-2'-(3-methyl-2-butenyl)-3',4'-didehydro-1',2'-dihydro-?,?-caroten-1'-ol C50H72O2 704.553231 NA MeJP NA NA +MJ091293 Bacterioruberin; 3'',3'''-Dideoxy, 2'',3'':2''',3'''-tetradehydro C50H72O2 704.553231 NA MeJP NA NA +MJ091294 Decaprenoxanthin C50H72O2 704.553231 NA MeJP NA NA +MJ091295 Okadaxanthin C50H72O2 704.553231 NA MeJP NA NA +MJ091296 Sarcinaxanthin C50H72O2 704.553231 NA MeJP NA NA +MJ091297 Cordiaquinone A; Hexacosanoyl C47H76O4 704.57436 NA MeJP NA NA +HMDB07210 DG(18:1(11Z)/24:1(15Z)/0:0) C45H84O5 704.631897 NA HMDB2010 NA NA +HMDB07239 DG(18:1(9Z)/24:1(15Z)/0:0) C45H84O5 704.631897 NA HMDB2010 NA NA +HMDB07267 DG(18:2(9Z,12Z)/24:0/0:0) C45H84O5 704.631897 NA HMDB2010 NA NA +HMDB07378 DG(20:0/22:2(13Z,16Z)/0:0) C45H84O5 704.631897 NA HMDB2010 NA NA +HMDB07406 DG(20:1(11Z)/22:1(13Z)/0:0) C45H84O5 704.631897 NA HMDB2010 NA NA +HMDB07434 DG(20:2(11Z,14Z)/22:0/0:0) C45H84O5 704.631897 NA HMDB2010 NA NA +HMDB07602 DG(22:0/20:2(11Z,14Z)/0:0) C45H84O5 704.631897 NA HMDB2010 NA NA +HMDB07630 DG(22:1(13Z)/20:1(11Z)/0:0) C45H84O5 704.631897 NA HMDB2010 NA NA +HMDB07658 DG(22:2(13Z,16Z)/20:0/0:0) C45H84O5 704.631897 NA HMDB2010 NA NA +HMDB07799 DG(24:0/18:2(9Z,12Z)/0:0) C45H84O5 704.631897 NA HMDB2010 NA NA +HMDB07826 DG(24:1(15Z)/18:1(11Z)/0:0) C45H84O5 704.631897 NA HMDB2010 NA NA +HMDB07827 DG(24:1(15Z)/18:1(9Z)/0:0) C45H84O5 704.631897 NA HMDB2010 NA NA +HMDB06737 CE(22:2(13Z,16Z)) C49H84O2 704.647156 NA HMDB2010 NA NA +HMDB06737 Cholesteryl docosadienoic acid C49H84O2 704.64716 http://www.hmdb.ca/metabolites/HMDB06737 HMDB NA NA +HMDB06737 Cholesteryl docosadienoic acid C49H84O2 704.64716 HMDB06737 PFEM_hmdb_metabocards_official NA NA +MJ091298 Glycinoprenol 10 C50H88O 704.683517 NA MeJP NA NA +MJ091299 1-Docosanol; Hexacosanoyl C48H96O2 704.741032 NA MeJP NA NA +MJ091300 24-Methylhexacosanoic acid; Heneicosyl ester C48H96O2 704.741032 NA MeJP NA NA +MJ091301 Tetracosanoic acid; Tetracosyl ester C48H96O2 704.741032 NA MeJP NA NA +MJ091302 Tritriacontanoic acid; Pentadecyl ester C48H96O2 704.741032 NA MeJP NA NA +3572 NA FHSGIQSEPKAIP 704.857 MH2+ Inhouse_peptide NA peptide +8289 Antioxidative peptide GPLGLLGFLGPLGLS 704.9065 MH2+ Inhouse_peptide NA peptide +8290 ACE inhibitor GPLGLLGFLGPLGLS 704.9065 MH2+ Inhouse_peptide NA peptide +3872 vespa-like peptide from R, Erythraea FLPILGKILGGLLG 704.943 MH2+ Inhouse_peptide NA peptide +PJ019292 GCCCCCD C21H35N7O10S5 705.1049 NA PeJP NA NA +PJ019293 GSCCCCM C22H39N7O9S5 705.1413 NA PeJP NA NA +PJ019294 SSTCCCC C22H39N7O11S4 705.1591 NA PeJP NA NA +PJ019295 CCCCQF C26H39N7O8S4 705.1743 NA PeJP NA NA +MJ091303 Celenamide C C34H36BrN5O7 705.179811 NA MeJP NA NA +PJ019296 CCNDDH C24H35N9O12S2 705.1847 NA PeJP NA NA +PJ019297 SCCCQY C26H39N7O10S3 705.1921 NA PeJP NA NA +PJ019298 GSPCCCH C25H39N9O9S3 705.2033 NA PeJP NA NA +PJ019299 GSSSCCY C26H39N7O12S2 705.2098 NA PeJP NA NA +PJ019300 GPPCCDD C26H39N7O12S2 705.2099 NA PeJP NA NA +PJ019301 CCCCKF C27H43N7O7S4 705.2107 NA PeJP NA NA +PJ019302 NNNDDD C24H35N9O16 705.2202 NA PeJP NA NA +PJ019303 SCNDMH C25H39N9O11S2 705.2211 NA PeJP NA NA +PJ019304 GCCNFY C30H39N7O9S2 705.2251 NA PeJP NA NA +PJ019305 PNDDDM C26H39N7O14S 705.2276 NA PeJP NA NA +PJ019306 SCCCKY C27H43N7O9S3 705.2285 NA PeJP NA NA +PJ019307 DDMYY C31H39N5O12S 705.2316 NA PeJP NA NA +PJ019308 MMMMY C29H47N5O7S4 705.2358 NA PeJP NA NA +PJ019309 GTCCHW C29H39N9O8S2 705.2363 NA PeJP NA NA +PJ019310 GSSSCEH C25H39N9O13S 705.2388 NA PeJP NA NA +PJ019311 GGGGGSPCD C25H39N9O13S 705.2389 NA PeJP NA NA +PJ019312 GCQMMH C26H43N9O8S3 705.2397 NA PeJP NA NA +PJ019313 GSCNYY C30H39N7O11S 705.2428 NA PeJP NA NA +PJ019314 GPCDEW C30H39N7O11S 705.2429 NA PeJP NA NA +PJ019315 GNEEEE C26H39N7O16 705.2454 NA PeJP NA NA +PJ019316 GSPPCDM C27H43N7O11S2 705.2462 NA PeJP NA NA +PJ019317 CNNNNQ C24H39N11O12S 705.2501 NA PeJP NA NA +PJ019318 DMMFY C32H43N5O9S2 705.2502 NA PeJP NA NA +PJ019319 GCCMHR C25H43N11O7S3 705.2509 NA PeJP NA NA +PJ019320 SSSCHW C29H39N9O10S 705.2541 NA PeJP NA NA +PJ019321 GDDDER C25H39N9O15 705.2566 NA PeJP NA NA +PJ019322 STCQMH C26H43N9O10S2 705.2574 NA PeJP NA NA +PJ019323 SSNMMH C26H43N9O10S2 705.2575 NA PeJP NA NA +PJ019324 PCDWW C34H39N7O8S 705.2581 NA PeJP NA NA +PJ019325 NEEEW C30H39N7O13 705.2606 NA PeJP NA NA +PJ019326 PPTCCW C31H43N7O8S2 705.2615 NA PeJP NA NA +PJ019327 SPNEEM C27H43N7O13S 705.264 NA PeJP NA NA +C06769 Vibriobactin C35H39N5O11 705.2646 NA KEGG NA NA +PJ019328 DDFFY C35H39N5O11 705.2646 NA PeJP NA NA +MJ091304 Vibriobactin C35H39N5O11 705.264607 NA MeJP NA NA +MetaCyc04067 vibriobactin [] C35H39N5O11 705.264607 NA metacyc NA NA +PJ019329 PPCQMM C28H47N7O8S3 705.2649 NA PeJP NA NA +PJ019330 GSSNNNN C24H39N11O14 705.2678 NA PeJP NA NA +PJ019331 GGGGGGGGGSS C24H39N11O14 705.2679 NA PeJP NA NA +PJ019332 TEMYY C32H43N5O11S 705.268 NA PeJP NA NA +PJ019333 STCCHR C25H43N11O9S2 705.2687 NA PeJP NA NA +PJ019334 MMMFF C33H47N5O6S3 705.2689 NA PeJP NA NA +PJ019335 CNHFW C33H39N9O7S 705.2693 NA PeJP NA NA +PJ019336 GGCHFW C33H39N9O7S 705.2694 NA PeJP NA NA +MJ091305 Naphthomycin B C39H44ClNO9 705.270459 NA MeJP NA NA +PJ019337 DDDRW C29H39N9O12 705.2718 NA PeJP NA NA +PJ019338 GGGSNEW C29H39N9O12 705.2719 NA PeJP NA NA +PJ019339 SPCDER C26H43N9O12S 705.2752 NA PeJP NA NA +PJ019340 GEEWW C34H39N7O10 705.2759 NA PeJP NA NA +PJ019341 PPCCMR C27H47N9O7S3 705.2761 NA PeJP NA NA +MJ091306 Lissoclinamide 1 C35H43N7O5S2 705.276708 NA MeJP NA NA +PJ019342 GSPEMW C31H43N7O10S 705.2792 NA PeJP NA NA +PJ019343 ATQEEE C27H43N7O15 705.2817 NA PeJP NA NA +PJ019344 GDKEEE C27H43N7O15 705.2818 NA PeJP NA NA +PJ019345 APQEMM C28H47N7O10S2 705.2826 NA PeJP NA NA +PJ019346 SPNDHH C28H39N11O11 705.2831 NA PeJP NA NA +PJ019347 DMFFF C36H43N5O8S 705.2833 NA PeJP NA NA +PJ019348 GCNQER C25H43N11O11S 705.2864 NA PeJP NA NA +PJ019349 GNNDMR C25H43N11O11S 705.2865 NA PeJP NA NA +PJ019350 VMMYY C33H47N5O8S2 705.2866 NA PeJP NA NA +PJ019351 SNNWW C33H39N9O9 705.2871 NA PeJP NA NA +PJ019352 NQQMW C30H43N9O9S 705.2905 NA PeJP NA NA +PJ019353 EWWW C38H39N7O7 705.2911 NA PeJP NA NA +PJ019354 GSEEER C26H43N9O14 705.293 NA PeJP NA NA +PJ019355 APCEMR C27H47N9O9S2 705.2938 NA PeJP NA NA +PJ019356 GPDMMR C27H47N9O9S2 705.2939 NA PeJP NA NA +PJ019357 GNNQHH C27H39N13O10 705.2943 NA PeJP NA NA +PJ019358 SPMWW C35H43N7O7S 705.2945 NA PeJP NA NA +PJ019359 DKEEW C31H43N7O12 705.297 NA PeJP NA NA +PJ019360 AAPMMW C32H47N7O7S2 705.2979 NA PeJP NA NA +PJ019361 EHHHF C32H39N11O8 705.2983 NA PeJP NA NA +PJ019362 GLQEEM C28H47N7O12S 705.3004 NA PeJP NA NA +PJ019363 PTYYY C36H43N5O10 705.301 NA PeJP NA NA +PJ019364 PPCKMM C29H51N7O7S3 705.3012 NA PeJP NA NA +PJ019365 CNQRW C29H43N11O8S 705.3017 NA PeJP NA NA +3076 hirudin (55-65) DFEEIPEEYLQ 705.30195 MH2+ Inhouse_peptide NA peptide +MJ091307 Maytansine; N-De-Ac, N-propanoyl C35H48ClN3O10 705.302822 NA MeJP NA NA +MJ091308 Maytansine; N2'-De-Ac, N2'-de-Me, N2'-(2-methylpropanoyl) C35H48ClN3O10 705.302822 NA MeJP NA NA +PJ019366 SSNNER C25H43N11O13 705.3042 NA PeJP NA NA +PJ019367 SEERW C30H43N9O11 705.3082 NA PeJP NA NA +PJ019368 GGGGGGPTF C30H43N9O11 705.3083 NA PeJP NA NA +PJ019369 AAEEMR C27H47N9O11S 705.3116 NA PeJP NA NA +PJ019370 SVEWW C35H43N7O9 705.3122 NA PeJP NA NA +PJ019371 GSPPYW C35H43N7O9 705.3123 NA PeJP NA NA +PJ019372 GPCHHR C28H43N13O7S 705.313 NA PeJP NA NA +PJ019373 LQEMW C32H47N7O9S 705.3156 NA PeJP NA NA +PJ019374 ATKEEE C28H47N7O14 705.3181 NA PeJP NA NA +PJ019375 APKEMM C29H51N7O9S2 705.319 NA PeJP NA NA +PJ019376 GSSNRW C29H43N11O10 705.3195 NA PeJP NA NA +PJ019377 VMFFY C37H47N5O7S 705.3196 NA PeJP NA NA +PJ019378 DEMRR C26H47N11O10S 705.3228 NA PeJP NA NA +PJ019379 GGGGATMR C26H47N11O10S 705.3229 NA PeJP NA NA +PJ019380 QQHFF C34H43N9O8 705.3235 NA PeJP NA NA +PJ019381 NQKMW C31H47N9O8S 705.3268 NA PeJP NA NA +PJ019382 VDMRW C31H47N9O8S 705.3269 NA PeJP NA NA +MJ091309 Tryptophyllin L 1.3; 5-Phenylalaninamide analogue C39H43N7O6 705.327482 NA MeJP NA NA +PJ019383 APFWW C39H43N7O6 705.3275 NA PeJP NA NA +PJ019384 SSQQKE C27H47N9O13 705.3293 NA PeJP NA NA +PJ019385 ATTEER C27H47N9O13 705.3294 NA PeJP NA NA +PJ019386 APTMMR C28H51N9O8S2 705.3302 NA PeJP NA NA +PJ019387 QEHHR C28H43N13O9 705.3307 NA PeJP NA NA +PJ019388 ALMWW C36H47N7O6S 705.3309 NA PeJP NA NA +MJ091310 Alanylthreonyltryptophanylleucylaspartylthreonine C32H47N7O11 705.333355 NA MeJP NA NA +PJ019389 GTTLEW C32H47N7O11 705.3334 NA PeJP NA NA +PJ019390 GSCQRR C25H47N13O9S 705.3341 NA PeJP NA NA +PJ019391 VQHHW C33H43N11O7 705.3347 NA PeJP NA NA +PJ019392 PTTKEM C29H51N7O11S 705.3367 NA PeJP NA NA +PJ019393 GLKEEM C29H51N7O11S 705.3368 NA PeJP NA NA +PJ019394 VVYYY C37H47N5O9 705.3374 NA PeJP NA NA +PJ019395 CNKRW C30H47N11O7S 705.3381 NA PeJP NA NA +PJ019396 SSNDKR C26H47N11O12 705.3406 NA PeJP NA NA +PJ019397 GSTQKW C31H47N9O10 705.3446 NA PeJP NA NA +PJ019398 AHHRW C32H43N13O6 705.346 NA PeJP NA NA +PJ019399 GTLEMR C28H51N9O10S 705.348 NA PeJP NA NA +PJ019400 TTLWW C36H47N7O8 705.3486 NA PeJP NA NA +PJ019401 SSSNRR C25H47N13O11 705.3518 NA PeJP NA NA +PJ019402 LKEMW C33H51N7O8S 705.352 NA PeJP NA NA +PJ019403 VFFFF C41H47N5O6 705.3527 NA PeJP NA NA +PJ019404 STLKEE C29H51N7O13 705.3545 NA PeJP NA NA +PJ019405 SPLKMM C30H55N7O8S2 705.3554 NA PeJP NA NA +PJ019406 PDRRY C30H47N11O9 705.3558 NA PeJP NA NA +PJ019407 GAQQFR C30H47N11O9 705.3559 NA PeJP NA NA +3426 human beta-casein fr,56-61 QSLVYP 705.357 ACE inhibitor Inhouse_peptide NA peptide +PJ019408 GSQKMR C27H51N11O9S 705.3592 NA PeJP NA NA +MJ091311 Zankiren C35H55N5O6S2 705.359375 NA MeJP NA NA +PJ019409 PTFRW C35H47N9O7 705.3599 NA PeJP NA NA +PJ019410 TLMRW C32H51N9O7S 705.3632 NA PeJP NA NA +PJ019411 GGKKMW C32H51N9O7S 705.3633 NA PeJP NA NA +PJ019412 STTLER C28H51N9O12 705.3657 NA PeJP NA NA +PJ019413 GGGSSTLK C28H51N9O12 705.3658 NA PeJP NA NA +PJ019414 GVLMMR C29H55N9O7S2 705.3666 NA PeJP NA NA +PJ019415 NNFRR C29H47N13O8 705.3671 NA PeJP NA NA +PJ019416 SSTLLW C33H51N7O10 705.3698 NA PeJP NA NA +PJ019417 GSCKRR C26H51N13O8S 705.3705 NA PeJP NA NA +PJ019418 VKHHW C34H47N11O6 705.3711 NA PeJP NA NA +PJ019419 SVLKEM C30H55N7O10S 705.3731 NA PeJP NA NA +PJ019420 PMFRR C31H51N11O6S 705.3745 NA PeJP NA NA +PJ019421 SSTQKR C27H51N11O11 705.377 NA PeJP NA NA +PJ019422 LMMRR C28H55N11O6S2 705.3779 NA PeJP NA NA +PJ019423 THHRR C28H47N15O7 705.3783 NA PeJP NA NA +PJ019424 GSTKKW C32H51N9O9 705.381 NA PeJP NA NA +PJ019425 SSLLMR C29H55N9O9S 705.3844 NA PeJP NA NA +MJ091312 Enamidonin C37H51N7O7 705.384997 NA MeJP NA NA +PJ019426 PLKYW C37H51N7O7 705.385 NA PeJP NA NA +PJ019427 APLKMF C34H55N7O7S 705.3884 NA PeJP NA NA +PJ019428 SSSSLLL C30H55N7O12 705.3909 NA PeJP NA NA +PJ019429 ALLKMM C31H59N7O7S2 705.3918 NA PeJP NA NA +PJ019430 VEFRR C31H51N11O8 705.3922 NA PeJP NA NA +MJ091313 Fumonisin A1; 10-Deoxy, N2-de-Ac C34H59NO14 705.393555 NA MeJP NA NA +MJ091314 Fumonisin A1; 5-Deoxy, N2-de-Ac C34H59NO14 705.393555 NA MeJP NA NA +PJ019431 GSKKMR C28H55N11O8S 705.3956 NA PeJP NA NA +PJ019432 VVFRW C36H51N9O6 705.3963 NA PeJP NA NA +PJ019433 SSKKKE C29H55N9O11 705.4021 NA PeJP NA NA +PJ019434 SPVLKY C34H55N7O9 705.4061 NA PeJP NA NA +PJ019435 PVVTKY C34H55N7O9 705.4062 NA PeJP NA NA +PJ019436 TTLLKM C31H59N7O9S 705.4095 NA PeJP NA NA +PJ019437 SSTKKR C28H55N11O10 705.4134 NA PeJP NA NA +PJ019438 AALLRY C33H55N9O8 705.4174 NA PeJP NA NA +PJ019439 ATKKKM C30H59N9O8S 705.4208 NA PeJP NA NA +PJ019440 LLKFW C38H55N7O6 705.4214 NA PeJP NA NA +PJ019441 VLRRY C32H55N11O7 705.4286 NA PeJP NA NA +MJ091315 15-Norerythromycin A; 3''-O-De-Me C35H63NO13 705.429941 NA MeJP NA NA +MJ091316 2-Norerythromycin; O3''-De-Me C35H63NO13 705.429941 NA MeJP NA NA +MJ091317 Ahpatinin A C36H59N5O9 705.431278 NA MeJP NA NA +PJ019442 TTTKKK C30H59N9O10 705.4385 NA PeJP NA NA +PJ019443 GLLLKY C35H59N7O8 705.4425 NA PeJP NA NA +MJ091318 Monamycins; Monamycin E C35H59N7O8 705.442511 NA MeJP NA NA +MJ091319 Monamycins; Monamycin F C35H59N7O8 705.442511 NA MeJP NA NA +PJ019444 GPPPLLL C35H59N7O8 705.4426 NA PeJP NA NA +MJ091320 Solanidine; O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C39H63NO10 705.445197 NA MeJP NA NA +PJ019445 GVKKKF C34H59N9O7 705.4538 NA PeJP NA NA +HMDB12333 PS(14:0/16:1(9Z)) C36H68NO10P 705.458069 NA HMDB2010 NA NA +HMDB12343 PS(14:1(9Z)/16:0) C36H68NO10P 705.458069 NA HMDB2010 NA NA +HMDB12353 PS(16:0/14:1(9Z)) C36H68NO10P 705.458069 NA HMDB2010 NA NA +HMDB12363 PS(16:1(9Z)/14:0) C36H68NO10P 705.458069 NA HMDB2010 NA NA +PJ019446 KKKFR C33H59N11O6 705.465 NA PeJP NA NA +MJ091321 29-(2,3,4,5-Tetrahydroxypentyl)hopane, 32-Ketone, 35-O-(2-amino-2-deoxy-?-D-glucopyranoside) C41H71NO8 705.517968 NA MeJP NA NA +MetaCyc04068 1,2-dipalmitoylphosphatidylcholine [1,2-dipalmitoylphosphotidylcholine;] C38H76N1O8P1 705.530855 2644-64-6 metacyc NA NA +HMDB07869 PC(14:0/16:0) C38H76NO8P 705.530884 NA HMDB2010 NA NA +HMDB07934 PC(15:0/15:0) C38H76NO8P 705.530884 NA HMDB2010 NA NA +HMDB07965 PC(16:0/14:0) C38H76NO8P 705.530884 NA HMDB2010 NA NA +HMDB08892 PE(15:0/18:0) C38H76NO8P 705.530884 NA HMDB2010 NA NA +HMDB08988 PE(18:0/15:0) C38H76NO8P 705.530884 NA HMDB2010 NA NA +HMDB10567 PE-NMe(16:0/16:0) C38H76NO8P 705.530884 NA HMDB2010 NA NA +MJ091322 Pamamycin; Pamamycin 705 C42H75NO7 705.554353 NA MeJP NA NA +EUR1039 SM(d18:0/16:0) monoisotopic mass C39H82N2O6P 705.591051 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1039 SM(d18:0/16:0) monoisotopic mass C39H82N2O6P 705.591051 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1039 SM(d18:0/16:0) monoisotopic mass C39H82N2O6P 705.591051 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1039 SM(d18:0/16:0) monoisotopic mass C39H82N2O6P 705.591051 masses lipides attendues Inhousejuil11 NA NA +HMDB10168 SM(d18:0/16:0) C39H82N2O6P 705.591064 NA HMDB2010 NA NA +MJ091323 Merbromin C20H10Br2HgO6 705.855038 NA MeJP NA NA +7022 synthetic peptide from alpha-gliadin YQLLQELCQQHL 705.8655 MH2+ Inhouse_peptide NA peptide +3005 kinases inhibitor KKALARQEAVDAL 705.89995 MH2+ Inhouse_peptide NA peptide +3019 kinases inhibitor KKALRAQEAVDAL 705.89995 MH2+ Inhouse_peptide NA peptide +PJ019447 CCCCEF C26H38N6O9S4 706.1583 NA PeJP NA NA +PJ019448 CCDDDH C24H34N8O13S2 706.1687 NA PeJP NA NA +FL5FAAGL0078 Kaempferol 3-[2''',3''',5'''-triacetyl-alpha-L-arabinofuranosyl-(1->6)-glucoside C32H34O18 706.17451 - knapsack NA NA +FL5FAAGL0079 Kaempferol 3-[2''',3''',4'''-triacetyl-alpha-L-arabinopyranosyl-(1->6)-glucoside] C32H34O18 706.17451 151193-58-7 knapsack NA NA +MJ091324 Astragalin; 6''-O-(2,3,4-Tri-O-acetyl-?-L-arabinopyranosyl) C32H34O18 706.174514 NA MeJP NA NA +PJ019449 SCCCEY C26H38N6O11S3 706.1761 NA PeJP NA NA +PJ019450 GCCMMY C27H42N6O8S4 706.1947 NA PeJP NA NA +MJ091325 Formadicins; Formadicin A C30H34N4O16 706.196981 NA MeJP NA NA +PJ019451 CCCNQH C24H38N10O9S3 706.1986 NA PeJP NA NA +MJ091326 Aspartylglycylaspartylglycylaspartylglycylaspartylglycine C24H34N8O17 706.204191 NA MeJP NA NA +PJ019452 NNDDDD C24H34N8O17 706.2042 NA PeJP NA NA +MJ091327 Sanggenon B; 7-O-(2,4-Dihydroxybenzoyl) C40H34O12 706.205026 NA MeJP NA NA +PJ019453 SCDDMH C25H38N8O12S2 706.2051 NA PeJP NA NA +PJ019454 GCCDFY C30H38N6O10S2 706.2091 NA PeJP NA NA +PJ019455 PDDDDM C26H38N6O15S 706.2116 NA PeJP NA NA +PJ019456 STCCMY C27H42N6O10S3 706.2125 NA PeJP NA NA +PJ019457 GSSCCNH C24H38N10O11S2 706.2163 NA PeJP NA NA +PJ019458 GSPCNDD C25H38N8O14S 706.2229 NA PeJP NA NA +PJ019459 GCEMMH C26H42N8O9S3 706.2237 NA PeJP NA NA +MJ091328 2-[2-[[2-(3,5-Dihydroxyphenyl)-1-methylethoxy]carbonyl]-3,5-dihydroxyphenyl]-1-methylethyl 2-[2-[(2,4-dihydroxy-6-methylbenzoyl)oxy]propyl]-4,6-dihydroxybenzoate C37H38O14 706.226155 NA MeJP NA NA +PJ019460 GSCDYY C30H38N6O12S 706.2269 NA PeJP NA NA +PJ019461 GCCMFF C31H42N6O7S3 706.2277 NA PeJP NA NA +PJ019462 GDEEEE C26H38N6O17 706.2294 NA PeJP NA NA +PJ019463 CNNNNE C24H38N10O13S 706.2341 NA PeJP NA NA +PJ019464 CCCNKH C25H42N10O8S3 706.2349 NA PeJP NA NA +PJ019465 GGCCCKH C25H42N10O8S3 706.235 NA PeJP NA NA +PJ019466 GCDEHF C29H38N8O11S 706.2381 NA PeJP NA NA +PJ019467 CMMHW C30H42N8O6S3 706.239 NA PeJP NA NA +PJ019468 SNNDEE C25H38N8O16 706.2406 NA PeJP NA NA +PJ019469 SSDMMH C26H42N8O11S2 706.2415 NA PeJP NA NA +PJ019470 ACCHHH C27H38N12O7S2 706.2428 NA PeJP NA NA +PJ019471 DEEEW C30H38N6O14 706.2446 NA PeJP NA NA +PJ019472 CQMYY C31H42N6O9S2 706.2455 NA PeJP NA NA +MJ091329 Amorphigenin; 1',3'-Dihydro, O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C34H42O16 706.247285 NA MeJP NA NA +PJ019473 SPDEEM C27H42N6O14S 706.248 NA PeJP NA NA +PJ019474 PPCEMM C28H46N6O9S3 706.2489 NA PeJP NA NA +PJ019475 GCNNNW C28H38N10O10S 706.2493 NA PeJP NA NA +PJ019476 GGGGGCNW C28H38N10O10S 706.2494 NA PeJP NA NA +PJ019477 GSSNNND C24H38N10O15 706.2518 NA PeJP NA NA +PJ019478 GGGGGSSND C24H38N10O15 706.2519 NA PeJP NA NA +PJ019479 PCCNDR C25H42N10O10S2 706.2527 NA PeJP NA NA +PJ019480 CDHFW C33H38N8O8S 706.2534 NA PeJP NA NA +PJ019481 GSNDEW C29H38N8O13 706.2559 NA PeJP NA NA +PJ019482 GPCNMW C30H42N8O8S2 706.2567 NA PeJP NA NA +PJ019483 GNQEEM C26H42N8O13S 706.2592 NA PeJP NA NA +PJ019484 GGGGAEEM C26H42N8O13S 706.2593 NA PeJP NA NA +PJ019485 GTMMMH C27H46N8O8S3 706.2601 NA PeJP NA NA +PJ019486 SSCHHH C27H38N12O9S 706.2606 NA PeJP NA NA +PJ019487 GSSMYY C31H42N6O11S 706.2632 NA PeJP NA NA +PJ019488 PPCDEF C31H42N6O11S 706.2633 NA PeJP NA NA +PJ019489 ATEEEE C27H42N6O16 706.2658 NA PeJP NA NA +PJ019490 APEEMM C28H46N6O11S2 706.2666 NA PeJP NA NA +PJ019491 SPDDHH C28H38N10O12 706.2671 NA PeJP NA NA +MJ091330 Radiatoside E C31H46O18 706.268414 NA MeJP NA NA +PJ019492 GNDDMR C25H42N10O12S 706.2705 NA PeJP NA NA +PJ019493 SNDWW C33H38N8O10 706.2711 NA PeJP NA NA +PJ019494 NQEMW C30H42N8O10S 706.2745 NA PeJP NA NA +PJ019495 SSQQEE C26H42N8O15 706.277 NA PeJP NA NA +PJ019496 STTMMH C27H46N8O10S2 706.2778 NA PeJP NA NA +PJ019497 SPNQMM C27H46N8O10S2 706.2779 NA PeJP NA NA +PJ019498 GNNEHH C27H38N12O11 706.2783 NA PeJP NA NA +PJ019499 GGGGGEHH C27H38N12O11 706.2784 NA PeJP NA NA +PJ019500 CQFFY C35H42N6O8S 706.2785 NA PeJP NA NA +PJ019501 SSSTYY C31H42N6O13 706.281 NA PeJP NA NA +PJ019502 SCNNNR C24H42N12O11S 706.2817 NA PeJP NA NA +PJ019503 CKMYY C32H46N6O8S2 706.2819 NA PeJP NA NA +PJ019504 GLEEEM C28H46N6O13S 706.2844 NA PeJP NA NA +PJ019505 PPTMMM C29H50N6O8S3 706.2853 NA PeJP NA NA +PJ019506 CNERW C29H42N10O9S 706.2857 NA PeJP NA NA +PJ019507 SSNDER C25H42N10O14 706.2882 NA PeJP NA NA +MJ091331 Milliamine C; De(dimethylamino) C41H42N2O9 706.28903 NA MeJP NA NA +PJ019508 SPCNMR C26H46N10O9S2 706.2891 NA PeJP NA NA +PJ019509 GQMWW C34H42N8O7S 706.2897 NA PeJP NA NA +PJ019510 GGAMWW C34H42N8O7S 706.2898 NA PeJP NA NA +PJ019511 GSTQEW C30H42N8O12 706.2922 NA PeJP NA NA +PJ019512 GGGTTEW C30H42N8O12 706.2923 NA PeJP NA NA +PJ019513 APCCKW C31H46N8O7S2 706.2931 NA PeJP NA NA +PJ019514 NNHHW C31H38N12O8 706.2936 NA PeJP NA NA +PJ019515 GNKEEM C27H46N8O12S 706.2956 NA PeJP NA NA +PJ019516 AQYYY C35H42N6O10 706.2962 NA PeJP NA NA +PJ019517 PEEFW C35H42N6O10 706.2963 NA PeJP NA NA +PJ019518 LEEMW C32H46N6O10S 706.2996 NA PeJP NA NA +PJ019519 GCRWW C33H42N10O6S 706.301 NA PeJP NA NA +PJ019520 STLEEE C28H46N6O15 706.3021 NA PeJP NA NA +PJ019521 SPLEMM C29H50N6O10S2 706.303 NA PeJP NA NA +PJ019522 GSSDRW C29H42N10O11 706.3035 NA PeJP NA NA +PJ019523 ASNEMR C26H46N10O11S 706.3068 NA PeJP NA NA +PJ019524 GSQEMR C26H46N10O11S 706.3069 NA PeJP NA NA +PJ019525 STQWW C34H42N8O9 706.3075 NA PeJP NA NA +PJ019526 NKEMW C31H46N8O9S 706.3109 NA PeJP NA NA +PJ019527 SSQKEE C27H46N8O14 706.3134 NA PeJP NA NA +PJ019528 SPNKMM C28H50N8O9S2 706.3142 NA PeJP NA NA +PJ019529 GGALQMM C28H50N8O9S2 706.3143 NA PeJP NA NA +PJ019530 EEHHR C28H42N12O10 706.3147 NA PeJP NA NA +PJ019531 CKFFY C36H46N6O7S 706.3149 NA PeJP NA NA +PJ019532 GPLEEY C32H46N6O12 706.3174 NA PeJP NA NA +MJ091332 Bastaxanthol; 16'-Carboxylic acid, 3-O-sulfate C40H50O9S 706.317553 NA MeJP NA NA +PJ019533 GSCERR C25H46N12O10S 706.3181 NA PeJP NA NA +PJ019534 PPCLMF C33H50N6O7S2 706.3183 NA PeJP NA NA +PJ019535 VEHHW C33H42N10O8 706.3187 NA PeJP NA NA +MJ091333 Euphorrepinol; 7-(3-Methyl-3-butenoyl), 5-(2-hydroxypropanoyl), tetra-Ac C36H50O14 706.320056 NA MeJP NA NA +MJ091334 Physagulin E C36H50O14 706.320056 NA MeJP NA NA +MJ091335 Zaragozic acid D2 C36H50O14 706.320056 NA MeJP NA NA +PJ019536 SVLEEM C29H50N6O12S 706.3208 NA PeJP NA NA +PJ019537 PVVMMM C30H54N6O7S3 706.3216 NA PeJP NA NA +PJ019538 SQMRW C30H46N10O8S 706.3221 NA PeJP NA NA +PJ019539 AHFFW C38H42N8O6 706.3228 NA PeJP NA NA +PJ019540 SSTQER C26H46N10O13 706.3246 NA PeJP NA NA +PJ019541 AAQMMR C27H50N10O8S2 706.3255 NA PeJP NA NA +PJ019542 GSNHHR C27H42N14O9 706.326 NA PeJP NA NA +PJ019543 GKMWW C35H46N8O6S 706.3261 NA PeJP NA NA +7007 synthetic peptide from alpha-gliadin YPQPQPFPSQQP 706.3275 MH2+ Inhouse_peptide NA peptide +7467 coeliac toxic peptide PQPQPFPSQQPY 706.3275 MH2+ Inhouse_peptide NA peptide +PJ019544 GSTKEW C31H46N8O11 706.3286 NA PeJP NA NA +PJ019545 GGGGALEF C31H46N8O11 706.3287 NA PeJP NA NA +PJ019546 GDKKEM C28H50N8O11S 706.332 NA PeJP NA NA +PJ019547 PLEYW C36H46N6O9 706.3326 NA PeJP NA NA +PJ019548 APPEFF C36H46N6O9 706.3327 NA PeJP NA NA +PJ019549 SCRRW C29H46N12O7S 706.3333 NA PeJP NA NA +MJ091336 Practomycin C C24H50N8O16 706.334477 NA MeJP NA NA +PJ019550 SSSDRR C25H46N12O12 706.3358 NA PeJP NA NA +PJ019551 SPPLMY C33H50N6O9S 706.336 NA PeJP NA NA +MJ091337 Rausutranine C41H46N4O7 706.336649 NA MeJP NA NA +PJ019552 NMMRR C26H50N12O7S2 706.3367 NA PeJP NA NA +PJ019553 ALLEMM C30H54N6O9S2 706.3394 NA PeJP NA NA +PJ019554 GSTTRW C30H46N10O10 706.3399 NA PeJP NA NA +PJ019555 GSKEMR C27H50N10O10S 706.3432 NA PeJP NA NA +PJ019556 GGGGTCKK C27H50N10O10S 706.3433 NA PeJP NA NA +PJ019557 STKWW C35H46N8O8 706.3439 NA PeJP NA NA +PJ019558 DKKMW C32H50N8O8S 706.3473 NA PeJP NA NA +PJ019559 SSSPTTK C28H50N8O13 706.3497 NA PeJP NA NA +PJ019560 SSKKEE C28H50N8O13 706.3498 NA PeJP NA NA +PJ019561 GLQKMM C29H54N8O8S2 706.3506 NA PeJP NA NA +PJ019562 NDFRR C29H46N12O9 706.3511 NA PeJP NA NA +PJ019563 SPVLEY C33H50N6O11 706.3538 NA PeJP NA NA +PJ019564 GSTMRR C26H50N12O9S 706.3545 NA PeJP NA NA +PJ019565 AQFRW C34H46N10O7 706.3551 NA PeJP NA NA +MJ091338 3,12-Dihydroxy-20,22-bufadienolide, 3-O-[?-D-Xylopranosyl-(1?4)-?-L-rhamnopyranoside], 12-Ac C37H54O13 706.356441 NA MeJP NA NA +MJ091339 Cayaponoside D3b; 22-Ketone, 25-Ac C37H54O13 706.356441 NA MeJP NA NA +MJ091340 Fevicordin F; 23,24-Dihydro, 22-ketone, 25-Ac, 2-O-?-D-glucopyranoside C37H54O13 706.356441 NA MeJP NA NA +MJ091341 p-Mentha-1,3,5-triene-2,3-diol; 3-O-[3-O-Angeloyl-?-D-fucopyranosyl-(1?3)-[3-methylbutanoyl-(?2)]-4-O-angeloyl-?-D-fucopyranoside] C37H54O13 706.356441 NA MeJP NA NA +MJ091342 p-Mentha-1,3,5-triene-2,3-diol; 3-O-[4-O-Angeloyl-?-D-fucopyranosyl-(1?3)-[3-methylbutanoyl-(?2)]-4-O-angeloyl-?-D-fucopyranoside] C37H54O13 706.356441 NA MeJP NA NA +PJ019566 TTLLEM C30H54N6O11S 706.3572 NA PeJP NA NA +PJ019567 SKMRW C31H50N10O7S 706.3585 NA PeJP NA NA +MJ091343 Ergost-22-ene-3,6,8,15,16,28-hexol, 3-[2-O-Methyl-?-D-xylopyranoside], 15-sulfate C34H58O13S 706.359812 NA MeJP NA NA +MJ091344 Stigmast-22-ene-3,6,8,15,16,29-hexol, 29-O-?-D-Xylopyranoside, 15-sulfate C34H58O13S 706.359812 NA MeJP NA NA +MJ091345 Stigmast-24(28)-ene-3,6,8,15,16,29-hexol, 29-O-(4-O-Sulfo-?-D-xylopyranoside) C34H58O13S 706.359812 NA MeJP NA NA +PJ019568 SSTKER C27H50N10O12 706.361 NA PeJP NA NA +PJ019569 AAKMMR C28H54N10O7S2 706.3619 NA PeJP NA NA +PJ019570 SSSLKW C32H50N8O10 706.365 NA PeJP NA NA +PJ019571 ATKKEM C29H54N8O10S 706.3684 NA PeJP NA NA +PJ019572 LLEFW C37H50N6O8 706.369 NA PeJP NA NA +PJ019573 SSTTRR C26H50N12O11 706.3722 NA PeJP NA NA +PJ019574 APLLMY C34H54N6O8S 706.3724 NA PeJP NA NA +MJ091346 12,12'-Bis(11-hydroxycoronaridine) C42H50N4O6 706.373035 NA MeJP NA NA +MJ091347 Tetrastachyne C42H50N4O6 706.373035 NA MeJP NA NA +MJ091348 Tetrastachynine C42H50N4O6 706.373035 NA MeJP NA NA +MJ091349 Villalstonine; 10-Methoxy, 4'-N-oxide C42H50N4O6 706.373035 NA MeJP NA NA +PJ019575 SLLLMM C31H58N6O8S2 706.3758 NA PeJP NA NA +PJ019576 LQQRY C31H50N10O9 706.3762 NA PeJP NA NA +PJ019577 GSPKRY C31H50N10O9 706.3763 NA PeJP NA NA +PJ019578 ATTKMR C28H54N10O9S 706.3796 NA PeJP NA NA +PJ019579 VQKFW C36H50N8O7 706.3803 NA PeJP NA NA +PJ019580 GPKKMF C33H54N8O7S 706.3837 NA PeJP NA NA +PJ019581 TTTKKE C29H54N8O12 706.3861 NA PeJP NA NA +PJ019582 GLKKMM C30H58N8O7S2 706.387 NA PeJP NA NA +PJ019583 VNRRY C30H50N12O8 706.3875 NA PeJP NA NA +PJ019584 GLLLEY C34H54N6O10 706.3902 NA PeJP NA NA +PJ019585 AKFRW C35H50N10O6 706.3915 NA PeJP NA NA +MJ091350 16,23:22,25-Diepoxycycloart-7-ene-3,23,24-triol, 7,8?-Dihydro, 3-O-(2-O-malonyl-?-D-xylopyranoside) C38H58O12 706.392827 NA MeJP NA NA +MJ091351 Antibiotic PD 118576A1; 19-Me ether C38H58O12 706.392827 NA MeJP NA NA +MJ091352 Hovenidulcigenin A; 3-O-?-D-Glucopyranoside C38H58O12 706.392827 NA MeJP NA NA +MJ091353 Hyalodendroside A C38H58O12 706.392827 NA MeJP NA NA +MJ091354 Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C38H58O12 706.392827 NA MeJP NA NA +5452 caeridin 5 GLLGMVGSLLGGLGLG 706.3957 MH2+ Inhouse_peptide NA peptide +PJ019586 TTTTKR C28H54N10O11 706.3974 NA PeJP NA NA +PJ019587 GRRRY C29H50N14O7 706.3987 NA PeJP NA NA +PJ019588 APTKKY C33H54N8O9 706.4014 NA PeJP NA NA +PJ019589 STLKKM C30H58N8O9S 706.4048 NA PeJP NA NA +PJ019590 LLLYW C38H54N6O7 706.4054 NA PeJP NA NA +PJ019591 ALLLMF C35H58N6O7S 706.4088 NA PeJP NA NA +MJ091355 Tabernaelegantine A C43H54N4O5 706.40942 NA MeJP NA NA +MJ091356 Tabernaelegantine B C43H54N4O5 706.40942 NA MeJP NA NA +MJ091357 Voacamine; 19?,20-Dihydro C43H54N4O5 706.40942 NA MeJP NA NA +MJ091358 Voacamine; 19?,20-Dihydro C43H54N4O5 706.40942 NA MeJP NA NA +PJ019592 LQKRY C32H54N10O8 706.4126 NA PeJP NA NA +PJ019593 GAPPPLR C32H54N10O8 706.4127 NA PeJP NA NA +PJ019594 VKKFW C37H54N8O6 706.4167 NA PeJP NA NA +PJ019595 TKFRR C31H54N12O7 706.4239 NA PeJP NA NA +PJ019596 SVLLLY C35H58N6O9 706.4266 NA PeJP NA NA +MJ091359 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2,3-O-Diacetyl-?-D-xylopyranoside) C39H62O11 706.429212 NA MeJP NA NA +PJ019597 GVLKKY C34H58N8O8 706.4378 NA PeJP NA NA +PJ019598 LKKRY C33H58N10O7 706.449 NA PeJP NA NA +MJ091360 Antibiotic YM 170320 C37H62N4O9 706.451679 NA MeJP NA NA +MJ091361 Antibiotic A 110; Antibiotic A 110-4 C40H66O10 706.465598 NA MeJP NA NA +MJ091362 Concanamycin A; 23-O-Deglycosyl, 21-Me ether C40H66O10 706.465598 NA MeJP NA NA +MJ091363 Venturicidin B C40H66O10 706.465598 NA MeJP NA NA +PJ019599 VLLLLH C35H62N8O7 706.4742 NA PeJP NA NA +MJ091364 Mutadione C C44H66O7 706.480854 NA MeJP NA NA +MJ091365 Bistramide A; 2,3-Dihydro C40H70N2O8 706.513217 NA MeJP NA NA +MJ091366 Bistramide A; 4-Alcohol C40H70N2O8 706.513217 NA MeJP NA NA +MJ091367 Bistramide K C40H70N2O8 706.513217 NA MeJP NA NA +EUR539 12 :0 SM F6 F6 706.522925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR539 12 :0 SM F6 NA 706.522925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR539 12 :0 SM F6 F6 706.522925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR539 12 :0 SM F6 NA 706.522925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR539 12 :0 SM F6 F6 706.522925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR539 12 :0 SM F6 NA 706.522925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR539 12 :0 SM F6 F6 706.522925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR539 12 :0 SM F6 F6 706.522925 standards wishlist analysés sur QTOF HMDB NA NA +EUR539 12 :0 SM F6 F6 706.522925 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR539 12 :0 SM F6 NA 706.522925 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR539 12 :0 SM F6 F6 706.522925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR539 12 :0 SM F6 F6 706.522925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ091368 Antibiotic SF 1195 C38H74O11 706.523113 NA MeJP NA NA +EUR1038 d18:1-12:0 SM [M-H+acetate]- C35H71N2O6P 706.526076 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1038 d18:1-12:0 SM [M-H+acetate]- C35H71N2O6P 706.526076 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1038 d18:1-12:0 SM [M-H+acetate]- C35H71N2O6P 706.526076 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1038 d18:1-12:0 SM [M-H+acetate]- C35H71N2O6P 706.526076 masses lipides attendues Inhousejuil11 NA NA +MJ091369 2-(4-Hydroxy-3-methyl-2-butenyl)-2'-(3-methyl-2-butenyl)-3',4'-didehydro-1',2'-dihydro-?,?-caroten-1'-ol; ?5,6-Isomer, 3',4'-dihydro C50H74O2 706.568881 NA MeJP NA NA +MJ091370 Sarcinaxanthin; 7,8-Dihydro C50H74O2 706.568881 NA MeJP NA NA +MJ091371 2-Nonaprenylphenol C51H78O 706.605267 NA MeJP NA NA +HMDB07181 DG(18:0/24:1(15Z)/0:0) C45H86O5 706.647522 NA HMDB2010 NA NA +HMDB07209 DG(18:1(11Z)/24:0/0:0) C45H86O5 706.647522 NA HMDB2010 NA NA +HMDB07238 DG(18:1(9Z)/24:0/0:0) C45H86O5 706.647522 NA HMDB2010 NA NA +HMDB07377 DG(20:0/22:1(13Z)/0:0) C45H86O5 706.647522 NA HMDB2010 NA NA +HMDB07405 DG(20:1(11Z)/22:0/0:0) C45H86O5 706.647522 NA HMDB2010 NA NA +HMDB07601 DG(22:0/20:1(11Z)/0:0) C45H86O5 706.647522 NA HMDB2010 NA NA +HMDB07629 DG(22:1(13Z)/20:0/0:0) C45H86O5 706.647522 NA HMDB2010 NA NA +HMDB07797 DG(24:0/18:1(11Z)/0:0) C45H86O5 706.647522 NA HMDB2010 NA NA +HMDB07798 DG(24:0/18:1(9Z)/0:0) C45H86O5 706.647522 NA HMDB2010 NA NA +HMDB07825 DG(24:1(15Z)/18:0/0:0) C45H86O5 706.647522 NA HMDB2010 NA NA +HMDB10372 CE(22:1(13Z)) C49H86O2 706.662781 NA HMDB2010 NA NA +MJ091372 24-Methylcycloart-25-en-3-ol, Octadecanoyl C49H86O2 706.662781 NA MeJP NA NA +PJ019600 ACCCCCC C21H37N7O8S6 707.1028 NA PeJP NA NA +PJ019601 SSCCCCC C21H37N7O10S5 707.1206 NA PeJP NA NA +PJ019602 CCCCNY C25H37N7O9S4 707.1536 NA PeJP NA NA +MJ091373 Celenamide B C33H34BrN5O8 707.159075 NA MeJP NA NA +PJ019603 CCCNEH C24H37N9O10S3 707.1826 NA PeJP NA NA +PJ019604 NDDDDD C24H33N7O18 707.1882 NA PeJP NA NA +PJ019605 GCCCHW C28H37N9O7S3 707.1978 NA PeJP NA NA +PJ019606 GSSCCDH C24H37N9O12S2 707.2003 NA PeJP NA NA +PJ019607 GSPCDDD C25H37N7O15S 707.2069 NA PeJP NA NA +PJ019608 GPPCCCE C26H41N7O10S3 707.2077 NA PeJP NA NA +PJ019609 CNNNDE C24H37N9O14S 707.2181 NA PeJP NA NA +PJ019610 SCCQMH C25H41N9O9S3 707.219 NA PeJP NA NA +PJ019611 PPCCCW C30H41N7O7S3 707.223 NA PeJP NA NA +PJ019612 SNDDEE C25H37N7O17 707.2246 NA PeJP NA NA +PJ019613 PCNDEM C26H41N7O12S2 707.2255 NA PeJP NA NA +PJ019614 CEMYY C31H41N5O10S2 707.2295 NA PeJP NA NA +PJ019615 SCCCHR C24H41N11O8S3 707.2302 NA PeJP NA NA +PJ019616 GCNNDW C28H37N9O11S 707.2334 NA PeJP NA NA +PJ019617 GSSNNDD C24H37N9O16 707.2359 NA PeJP NA NA +PJ019618 PCCDDR C25H41N9O11S2 707.2367 NA PeJP NA NA +PJ019619 GSDDEW C29H37N7O14 707.2399 NA PeJP NA NA +PJ019620 APCCEW C30H41N7O9S2 707.2407 NA PeJP NA NA +PJ019621 GPCDMW C30H41N7O9S2 707.2408 NA PeJP NA NA +PJ019622 ASSPCDE C26H41N7O14S 707.2432 NA PeJP NA NA +PJ019623 GNEEEM C26H41N7O14S 707.2433 NA PeJP NA NA +PJ019624 GPPTCCM C27H45N7O9S3 707.2441 NA PeJP NA NA +C06371 Lacto-N-tetraose C26H45NO21 707.2484 NA KEGG NA NA +MJ091374 ?-D-Galactopyranosyl-(1?3)-2-acetamido-2-deoxy-?-D-glucopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-D-glucose C26H45NO21 707.248407 NA MeJP NA NA +MJ091375 ?-D-Galactopyranosyl-(1?4)-[2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)]-?-D-galactopyranosyl-(1?4)-D-glucose; N-Ac C26H45NO21 707.248407 NA MeJP NA NA +HMDB06537 (alpha-D-mannosyl)2-beta-D-mannosyl-N-acetylglucosamine C26H45NO21 707.24841 http://www.hmdb.ca/metabolites/HMDB06537 HMDB NA NA +HMDB06566 Lacto-N-tetraose C26H45NO21 707.24841 http://www.hmdb.ca/metabolites/HMDB06566 HMDB NA NA +HMDB06567 Neolactotetraose C26H45NO21 707.24841 http://www.hmdb.ca/metabolites/HMDB06567 HMDB NA NA +HMDB06699 a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 3)-b-D-Manp-(1 -> 4)-D-GlcNAcp C26H45NO21 707.24841 http://www.hmdb.ca/metabolites/HMDB06699 HMDB NA NA +HMDB06537 (alpha-D-mannosyl)2-beta-D-mannosyl-N-acetylglucosamine C26H45NO21 707.24841 HMDB06537 PFEM_hmdb_metabocards_official NA NA +HMDB06566 Lacto-N-tetraose C26H45NO21 707.24841 HMDB06566 PFEM_hmdb_metabocards_official NA NA +HMDB06567 Neolactotetraose C26H45NO21 707.24841 HMDB06567 PFEM_hmdb_metabocards_official NA NA +HMDB06699 a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 3)-b-D-Manp-(1 -> 4)-D-GlcNAcp C26H45NO21 707.24841 HMDB06699 PFEM_hmdb_metabocards_official NA NA +HMDB06537 (a-D-mannosyl)2-b-D-mannosyl-N-acetylglucosamine C26H45NO21 707.248413 NA HMDB2010 NA NA +HMDB06566 Lacto-N-tetraose C26H45NO21 707.248413 NA HMDB2010 NA NA +HMDB06567 Neolactotetraose C26H45NO21 707.248413 NA HMDB2010 NA NA +HMDB06699 Alpha-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 3)-b-D-Manp-(1 -> 4)-D-GlcNAcp C26H45NO21 707.248413 NA HMDB2010 NA NA +PJ019625 GCNMHF C29H41N9O8S2 707.252 NA PeJP NA NA +PJ019626 GDDDMR C25H41N9O13S 707.2545 NA PeJP NA NA +PJ019627 SDDWW C33H37N7O11 707.2551 NA PeJP NA NA +PJ019628 SCCKMH C26H45N9O8S3 707.2554 NA PeJP NA NA +PJ019629 NEEMW C30H41N7O11S 707.2585 NA PeJP NA NA +PJ019630 SSQEEE C26H41N7O16 707.261 NA PeJP NA NA +PJ019631 SPNEMM C27H45N7O11S2 707.2619 NA PeJP NA NA +PJ019632 GNDEHH C27H37N11O12 707.2624 NA PeJP NA NA +PJ019633 PCYYY C35H41N5O9S 707.2625 NA PeJP NA NA +PJ019634 SCNNDR C24H41N11O12S 707.2657 NA PeJP NA NA +PJ019635 TMMYY C32H45N5O9S2 707.2659 NA PeJP NA NA +PJ019636 CDERW C29H41N9O10S 707.2697 NA PeJP NA NA +PJ019637 GGGGGSMW C29H41N9O10S 707.2698 NA PeJP NA NA +PJ019638 SSDDER C25H41N9O15 707.2722 NA PeJP NA NA +PJ019639 GGGGGSTTD C25H41N9O15 707.2723 NA PeJP NA NA +PJ019640 SPCDMR C26H45N9O10S2 707.2731 NA PeJP NA NA +PJ019641 GEMWW C34H41N7O8S 707.2738 NA PeJP NA NA +PJ019642 GSTEEW C30H41N7O13 707.2763 NA PeJP NA NA +PJ019643 GSPMMW C31H45N7O8S2 707.2771 NA PeJP NA NA +PJ019644 NDHHW C31H37N11O9 707.2776 NA PeJP NA NA +PJ019645 GDKEEM C27H45N7O13S 707.2796 NA PeJP NA NA +PJ019646 AEYYY C35H41N5O11 707.2803 NA PeJP NA NA +PJ019647 APQMMM C28H49N7O8S3 707.2805 NA PeJP NA NA +PJ019648 SPCQHH C28H41N11O9S 707.281 NA PeJP NA NA +PJ019649 GCNQMR C25H45N11O9S2 707.2843 NA PeJP NA NA +PJ019650 GGGCQMR C25H45N11O9S2 707.2844 NA PeJP NA NA +PJ019651 SSSNQW C29H41N9O12 707.2875 NA PeJP NA NA +PJ019652 ACCKHF C30H45N9O7S2 707.2884 NA PeJP NA NA +PJ019653 MWWW C38H41N7O5S 707.289 NA PeJP NA NA +PJ019654 GSEEMR C26H45N9O12S 707.2909 NA PeJP NA NA +PJ019655 STEWW C34H41N7O10 707.2915 NA PeJP NA NA +PJ019656 APCMMR C27H49N9O7S3 707.2917 NA PeJP NA NA +MJ091376 Lissoclinamide 9 C35H45N7O5S2 707.292358 NA MeJP NA NA +PJ019657 DKEMW C31H45N7O10S 707.2949 NA PeJP NA NA +PJ019658 GCCNRR C24H45N13O8S2 707.2956 NA PeJP NA NA +PJ019659 MHHHF C32H41N11O6S 707.2962 NA PeJP NA NA +PJ019660 SSKEEE C27H45N7O15 707.2974 NA PeJP NA NA +PJ019661 GLQEMM C28H49N7O10S2 707.2983 NA PeJP NA NA +PJ019662 GTQEHH C28H41N11O11 707.2987 NA PeJP NA NA +C13168 Dihydroergocristine mesylate C35H41N5O5 707.2989 NA KEGG NA NA +C13169 Transferred to D01706 C35H41N5O5 707.2989 NA KEGG NA NA +C13170 Transferred to D01707 C35H41N5O5 707.2989 NA KEGG NA NA +C13171 Transferred to D01708 C35H41N5O5 707.2989 NA KEGG NA NA +C13172 Transferred to D01709 C35H41N5O5 707.2989 NA KEGG NA NA +PJ019663 CLFYY C36H45N5O8S 707.2989 NA PeJP NA NA +PJ019664 SSNNMR C25H45N11O11S 707.3021 NA PeJP NA NA +PJ019665 NNQFW C33H41N9O9 707.3027 NA PeJP NA NA +PJ019666 GGNQFW C33H41N9O9 707.3028 NA PeJP NA NA +PJ019667 SEMRW C30H45N9O9S 707.3061 NA PeJP NA NA +PJ019668 GPYWW C38H41N7O7 707.3068 NA PeJP NA NA +PJ019669 SSTEER C26H45N9O14 707.3086 NA PeJP NA NA +PJ019670 AAEMMR C27H49N9O9S2 707.3095 NA PeJP NA NA +PJ019671 GSDHHR C27H41N13O10 707.31 NA PeJP NA NA +PJ019672 SVMWW C35H45N7O7S 707.3101 NA PeJP NA NA +PJ019673 GAPMFW C35H45N7O7S 707.3102 NA PeJP NA NA +PJ019674 SSSLEW C31H45N7O12 707.3126 NA PeJP NA NA +PJ019675 GPDKEY C31H45N7O12 707.3127 NA PeJP NA NA +PJ019676 LQMMW C32H49N7O7S2 707.3135 NA PeJP NA NA +PJ019677 TQHHW C32H41N11O8 707.314 NA PeJP NA NA +PJ019678 ATKEEM C28H49N7O12S 707.316 NA PeJP NA NA +PJ019679 SLYYY C36H45N5O10 707.3166 NA PeJP NA NA +PJ019680 VTYYY C36H45N5O10 707.3167 NA PeJP NA NA +PJ019681 APKMMM C29H53N7O7S3 707.3169 NA PeJP NA NA +PJ019682 GVQMHH C29H45N11O8S 707.3174 NA PeJP NA NA +PJ019683 GSSSSQR C25H45N11O13 707.3199 NA PeJP NA NA +PJ019684 DMMRR C26H49N11O8S2 707.3207 NA PeJP NA NA +PJ019685 PCFRW C34H45N9O6S 707.3214 NA PeJP NA NA +PJ019686 SSSNKW C30H45N9O11 707.3239 NA PeJP NA NA +MJ091377 Thiazinotrienomycin A C38H49N3O8S 707.324036 NA MeJP NA NA +MJ091378 Thiazinotrienomycin D C38H49N3O8S 707.324036 NA MeJP NA NA +PJ019687 CLMRW C31H49N9O6S2 707.3247 NA PeJP NA NA +PJ019688 ATTEMR C27H49N9O11S 707.3272 NA PeJP NA NA +PJ019689 VTTCER C27H49N9O11S 707.3273 NA PeJP NA NA +PJ019690 PDKYW C35H45N7O9 707.3279 NA PeJP NA NA +PJ019691 QMHHR C28H45N13O7S 707.3286 NA PeJP NA NA +PJ019692 GTTLMW C32H49N7O9S 707.3313 NA PeJP NA NA +PJ019693 TFFFF C40H45N5O7 707.3319 NA PeJP NA NA +PJ019694 TTTKEE C28H49N7O14 707.3338 NA PeJP NA NA +PJ019695 PTTKMM C29H53N7O9S2 707.3346 NA PeJP NA NA +PJ019696 GLKEMM C29H53N7O9S2 707.3347 NA PeJP NA NA +PJ019697 NQQRY C29H45N11O10 707.3351 NA PeJP NA NA +PJ019698 SSCQKR C26H49N11O10S 707.3385 NA PeJP NA NA +PJ019699 SPRYW C34H45N9O8 707.3391 NA PeJP NA NA +PJ019700 GGGGKFW C34H45N9O8 707.3392 NA PeJP NA NA +PJ019701 CHHRR C27H45N15O6S 707.3398 NA PeJP NA NA +PJ019702 GSCKKW C31H49N9O8S 707.3425 NA PeJP NA NA +PJ019703 GLFWW C39H45N7O6 707.3432 NA PeJP NA NA +PJ019704 TTTTER C27H49N9O13 707.345 NA PeJP NA NA +PJ019705 GTLMMR C28H53N9O8S2 707.3459 NA PeJP NA NA +PJ019706 ASTHHR C28H45N13O9 707.3463 NA PeJP NA NA +PJ019707 GTTHHR C28H45N13O9 707.3464 NA PeJP NA NA +PJ019708 PKMFW C36H49N7O6S 707.3465 NA PeJP NA NA +PJ019709 STTTLW C32H49N7O11 707.349 NA PeJP NA NA +PJ019710 LKMMW C33H53N7O6S2 707.3499 NA PeJP NA NA +PJ019711 TKHHW C33H45N11O7 707.3504 NA PeJP NA NA +MJ091379 Lucensomycin C36H53NO13 707.35169 NA MeJP NA NA +PJ019712 STLKEM C29H53N7O11S 707.3524 NA PeJP NA NA +PJ019713 APPMHR C30H49N11O7S 707.3538 NA PeJP NA NA +PJ019714 GSSSSKR C26H49N11O12 707.3562 NA PeJP NA NA +PJ019715 ACCKKR C27H53N11O7S2 707.3571 NA PeJP NA NA +PJ019716 LQERY C31H49N9O10 707.3603 NA PeJP NA NA +PJ019717 STTLMR C28H53N9O10S 707.3636 NA PeJP NA NA +PJ019718 VLQYW C36H49N7O8 707.3643 NA PeJP NA NA +PJ019719 KMHHR C29H49N13O6S 707.365 NA PeJP NA NA +PJ019720 GPLKMY C33H53N7O8S 707.3677 NA PeJP NA NA +PJ019721 ATTTTTL C29H53N7O13 707.3701 NA PeJP NA NA +PJ019722 SSSTTLL C29H53N7O13 707.3702 NA PeJP NA NA +PJ019723 SVLKMM C30H57N7O8S2 707.371 NA PeJP NA NA +PJ019724 VDRRY C30H49N11O9 707.3715 NA PeJP NA NA +MJ091380 Fumonisin C1 C33H57NO15 707.37282 NA MeJP NA NA +PJ019725 SSCKKR C27H53N11O9S 707.3749 NA PeJP NA NA +PJ019726 ALRYW C35H49N9O7 707.3755 NA PeJP NA NA +MJ091381 Reserpine, 1-(Diethylaminoethyl) C39H53N3O9 707.37818 NA MeJP NA NA +PJ019727 AALMFR C32H53N9O7S 707.3789 NA PeJP NA NA +PJ019728 GSSTTKK C28H53N9O12 707.3814 NA PeJP NA NA +PJ019729 ACKKKM C29H57N9O7S2 707.3823 NA PeJP NA NA +PJ019730 GPNKHR C29H49N13O8 707.3827 NA PeJP NA NA +PJ019731 GGGPKHR C29H49N13O8 707.3828 NA PeJP NA NA +PJ019732 GVLKEY C33H53N7O10 707.3854 NA PeJP NA NA +PJ019733 PLHRW C34H49N11O6 707.3868 NA PeJP NA NA +PJ019734 VMFRR C31H53N11O6S 707.3901 NA PeJP NA NA +PJ019735 LKERY C32H53N9O9 707.3966 NA PeJP NA NA +PJ019736 GSLLRY C32H53N9O9 707.3967 NA PeJP NA NA +PJ019737 SSKKKM C29H57N9O9S 707.4 NA PeJP NA NA +PJ019738 VLKYW C37H53N7O7 707.4007 NA PeJP NA NA +PJ019739 GLLKMF C34H57N7O7S 707.4041 NA PeJP NA NA +PJ019740 TLRRY C31H53N11O8 707.4079 NA PeJP NA NA +PJ019741 ATLLKY C34H57N7O9 707.4218 NA PeJP NA NA +MJ091382 Obtusolactam; 3-O-[6-Deoxy-3-O-methyl-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C38H61NO11 707.424461 NA MeJP NA NA +PJ019742 AAKKKY C33H57N9O8 707.433 NA PeJP NA NA +PJ019743 GGVLLLH C33H57N9O8 707.4331 NA PeJP NA NA +PJ019744 GLLLHR C32H57N11O7 707.4443 NA PeJP NA NA +HMDB08873 PE(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C39H66NO8P 707.452576 NA HMDB2010 NA NA +HMDB09449 PE(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)) C39H66NO8P 707.452576 NA HMDB2010 NA NA +PJ019745 GPPVLLL C35H61N7O8 707.4582 NA PeJP NA NA +MJ091383 Lanost-8-ene-2,3,12,24,25-pentol, 2-O-[3-Hydroxy-4-[[[(methoxycarbonyl)methyl]amino]carbonyl]-3-methylbutanoyl] C39H65NO10 707.460847 NA MeJP NA NA +MJ091384 Lanost-8-ene-2,3,12,24,25-pentol, 3-O-[3-Hydroxy-4-[[[(methoxycarbonyl)methyl]amino]carbonyl]-3-methylbutanoyl] C39H65NO10 707.460847 NA MeJP NA NA +PJ019746 PPLLLR C34H61N9O7 707.4694 NA PeJP NA NA +HMDB00614 Dipalmitoylphosphatidylserine C36H70NO10P 707.47375 http://www.hmdb.ca/metabolites/HMDB00614 HMDB NA NA +HMDB00614 Dipalmitoylphosphatidylserine C36H70NO10P 707.47375 HMDB00614 PFEM_hmdb_metabocards_official NA NA +HMDB12332 PS(14:0/16:0) C36H70NO10P 707.473755 NA HMDB2010 NA NA +HMDB12352 PS(16:0/14:0) C36H70NO10P 707.473755 NA HMDB2010 NA NA +MJ091385 Spirolide D C43H65NO7 707.476103 NA MeJP NA NA +HMDB06747 Galactosylceramide C37H73NO11 707.51837 http://www.hmdb.ca/metabolites/HMDB06747 HMDB NA NA +HMDB06747 Galactosylceramide C37H73NO11 707.51837 HMDB06747 PFEM_hmdb_metabocards_official NA NA +MJ091386 29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-O-(6-Amino-6-deoxy-?-D-glucopyranoside) C41H73NO8 707.533618 NA MeJP NA NA +C18076 5'-Phosphoguanylyl(3'->5')guanosine C20H26N10O15P2 708.1054 NA KEGG NA NA +HMDB01507 Diguanosine diphosphate C20H26N10O15P2 708.105408 NA HMDB2010 NA NA +HMDB01507 Diguanosine diphosphate C20H26N10O15P2 708.10541 http://www.hmdb.ca/metabolites/HMDB01507 HMDB NA NA +HMDB01507 Diguanosine diphosphate C20H26N10O15P2 708.10541 HMDB01507 PFEM_hmdb_metabocards_official NA NA +PJ019747 CCCCDY C25H36N6O10S4 708.1376 NA PeJP NA NA +MJ091387 Cyclic malyl cyanidin C31H33O19(+) 708.153778 NA MeJP NA NA +PJ019748 CCCCMF C26H40N6O7S5 708.1562 NA PeJP NA NA +PJ019749 CCCDEH C24H36N8O11S3 708.1666 NA PeJP NA NA +PJ019750 DDDDDD C24H32N6O19 708.1723 NA PeJP NA NA +PJ019751 SCCCMY C26H40N6O9S4 708.174 NA PeJP NA NA +FL5FABGS0009 Kaempferide 3-rhamnoside-7-(6''-succinylglucoside) C32H36O18 708.19016 107286-94-2 knapsack NA NA +FL5FECGS0045 Patuletin 3,7-bis(3-acetylrhamnoside) C32H36O18 708.19016 125140-18-3 knapsack NA NA +FL5FECGS0046 Patuletin 3-(4''-acetylrhamnoside)-7-(2'''-acetylrhamnoside) C32H36O18 708.19016 160472-99-1 knapsack NA NA +FL5FECGS0047 Patuletin 3-(4''-acetylrhamnoside)-7-(3'''-acetylrhamnoside) C32H36O18 708.19016 125140-17-2 knapsack NA NA +FL5FECGS0048 Patuletin 3-rhamnoside-7-(3''',4'''-diacetylrhamnoside) C32H36O18 708.19016 125140-16-1 knapsack NA NA +MJ091388 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3,7-Bis(3-O-acetyl-?-L-rhamnopyranoside) C32H36O18 708.190164 NA MeJP NA NA +MJ091389 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-(4-O-Acetyl-?-L-rhamnopyranoside), 7-O-(2-O-acetyl-?-L-rhamnopyranoside) C32H36O18 708.190164 NA MeJP NA NA +MJ091390 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-(4-O-Acetyl-?-L-rhamnopyranoside), 7-O-(3-O-acetyl-?-L-rhamnopyranoside) C32H36O18 708.190164 NA MeJP NA NA +MJ091391 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-(3,4-di-O-acetyl-?-L-rhamnopyranoside) C32H36O18 708.190164 NA MeJP NA NA +MJ091392 3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-(6-O-succinoyl-?-D-glucopyranoside) C32H36O18 708.190164 NA MeJP NA NA +MJ091393 5,7,8-Trihydroxy-4'-methoxyflavone; 7-O-?-D-Glucopyranoside, 8-O-(di-O-acetyl-?-D-glucopyranoside) C32H36O18 708.190164 NA MeJP NA NA +PJ019752 CNNDDE C24H36N8O15S 708.2021 NA PeJP NA NA +PJ019753 SCCEMH C25H40N8O10S3 708.203 NA PeJP NA NA +PJ019754 ACCCFY C30H40N6O8S3 708.207 NA PeJP NA NA +PJ019755 SDDDEE C25H36N6O18 708.2086 NA PeJP NA NA +PJ019756 PCDDEM C26H40N6O13S2 708.2095 NA PeJP NA NA +MJ091394 Pradimicin A; 3'-O-Deglycosyl C35H36N2O14 708.216653 NA MeJP NA NA +C06783 Pradimicin B C35H36N2O14 708.2167 NA KEGG NA NA +PJ019757 GCNDDW C28H36N8O12S 708.2174 NA PeJP NA NA +PJ019758 PCCCHF C29H40N8O7S3 708.2182 NA PeJP NA NA +PJ019759 GSSNDDD C24H36N8O17 708.2199 NA PeJP NA NA +MJ091395 Sanggenon D C40H36O12 708.220676 NA MeJP NA NA +MJ091396 Sanggenon Q C40H36O12 708.220676 NA MeJP NA NA +C09834 Sanggenon C C40H36O12 708.2207 NA KEGG NA NA +C09835 Sanggenon D C40H36O12 708.2207 NA KEGG NA NA +PJ019760 GSPCCNE C25H40N8O12S2 708.2207 NA PeJP NA NA +PJ019761 GGGPTCCD C25H40N8O12S2 708.2208 NA PeJP NA NA +PJ019762 GCMMMH C26H44N8O7S4 708.2216 NA PeJP NA NA +PJ019763 GTCCYY C30H40N6O10S2 708.2248 NA PeJP NA NA +MJ091397 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; ?''-O-(3-Methylbutanoyl), 6''-O-?-L-rhamnopyranosyl C33H40O17 708.226549 NA MeJP NA NA +MJ091398 Sucrose; 3'-O-(3,4,5-Trimethoxy-E-cinnamoyl), 6-O-(4-hydroxy-E-cinnamoyl) C33H40O17 708.226549 NA MeJP NA NA +PJ019764 GDEEEM C26H40N6O15S 708.2273 NA PeJP NA NA +PJ019765 CNNNNM C24H40N10O11S2 708.232 NA PeJP NA NA +PJ019766 SPCCNW C29H40N8O9S2 708.236 NA PeJP NA NA +PJ019767 SNNDEM C25H40N8O14S 708.2385 NA PeJP NA NA +PJ019768 STCMMH C26H44N8O9S3 708.2394 NA PeJP NA NA +PJ019769 DEEMW C30H40N6O12S 708.2425 NA PeJP NA NA +PJ019770 SSEEEE C26H40N6O17 708.245 NA PeJP NA NA +PJ019771 SPDEMM C27H44N6O12S2 708.2459 NA PeJP NA NA +PJ019772 GDDEHH C27H36N10O13 708.2464 NA PeJP NA NA +PJ019773 PPCMMM C28H48N6O7S4 708.2468 NA PeJP NA NA +PJ019774 SCNDDR C24H40N10O13S 708.2497 NA PeJP NA NA +PJ019775 GGGGGGGSTC C24H40N10O13S 708.2498 NA PeJP NA NA +PJ019776 PCCCQR C25H44N10O8S3 708.2506 NA PeJP NA NA +MJ091399 Jaspamide C36H45BrN4O6 708.252247 NA MeJP NA NA +PJ019777 GSNDMW C29H40N8O11S 708.2538 NA PeJP NA NA +PJ019778 GSSSNEE C25H40N8O16 708.2562 NA PeJP NA NA +PJ019779 GGGSSSEE C25H40N8O16 708.2563 NA PeJP NA NA +PJ019780 GNQEMM C26H44N8O11S2 708.2571 NA PeJP NA NA +PJ019781 CNFYY C34H40N6O9S 708.2578 NA PeJP NA NA +PJ019782 GPDEEY C30H40N6O14 708.2603 NA PeJP NA NA +PJ019783 PPCDMF C31H44N6O9S2 708.2612 NA PeJP NA NA +PJ019784 DDHHW C31H36N10O10 708.2616 NA PeJP NA NA +C10439 4'-Cinnamoylmussatioside C34H44O16 708.2629 NA KEGG NA NA +MJ091400 2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?3)-4-cinnamoyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C34H44O16 708.262935 NA MeJP NA NA +MJ091401 Azadirachtin; O1-Detigloyl, O1-(2-methylpropanoyl) C34H44O16 708.262935 NA MeJP NA NA +MJ091402 Hinokiresinol, 4'-O-?-D-Glucopyranoside, 4''-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C34H44O16 708.262935 NA MeJP NA NA +MJ091403 Suspensolide A; 6''-(4-Hydroxycinnamoyl) C34H44O16 708.262935 NA MeJP NA NA +PJ019785 ATEEEM C27H44N6O14S 708.2637 NA PeJP NA NA +PJ019786 APEMMM C28H48N6O9S3 708.2645 NA PeJP NA NA +PJ019787 SPCEHH C28H40N10O10S 708.265 NA PeJP NA NA +PJ019788 SSSSNNN C24H40N10O15 708.2675 NA PeJP NA NA +PJ019789 GCNEMR C25H44N10O10S2 708.2684 NA PeJP NA NA +PJ019790 SCQWW C33H40N8O8S 708.269 NA PeJP NA NA +PJ019791 SSSNEW C29H40N8O13 708.2715 NA PeJP NA NA +PJ019792 NQMMW C30H44N8O8S2 708.2724 NA PeJP NA NA +PJ019793 SSQQEM C26H44N8O13S 708.2749 NA PeJP NA NA +PJ019794 PDEYW C34H40N6O11 708.2755 NA PeJP NA NA +PJ019795 PCCQKM C27H48N8O8S3 708.2758 NA PeJP NA NA +PJ019796 GNNMHH C27H40N12O9S 708.2762 NA PeJP NA NA +PJ019797 SPPDMY C31H44N6O11S 708.2789 NA PeJP NA NA +PJ019798 GCCDRR C24H44N12O9S2 708.2796 NA PeJP NA NA +PJ019799 TTTEEE C27H44N6O16 708.2814 NA PeJP NA NA +PJ019800 GLEEMM C28H48N6O11S2 708.2823 NA PeJP NA NA +PJ019801 GNNNQY C28H40N10O12 708.2827 NA PeJP NA NA +PJ019802 GGGGGNQY C28H40N10O12 708.2828 NA PeJP NA NA +PJ019803 CNMRW C29H44N10O7S2 708.2836 NA PeJP NA NA +PJ019804 SSNDMR C25H44N10O12S 708.2861 NA PeJP NA NA +PJ019805 GSSSWW C33H40N8O10 708.2868 NA PeJP NA NA +PJ019806 PCCCKR C26H48N10O7S3 708.287 NA PeJP NA NA +PJ019807 GSTQMW C30H44N8O10S 708.2901 NA PeJP NA NA +PJ019808 GGGGAPMY C30H44N8O10S 708.2902 NA PeJP NA NA +PJ019809 GSSSDKE C26H44N8O15 708.2926 NA PeJP NA NA +PJ019810 GNKEMM C27H48N8O10S2 708.2935 NA PeJP NA NA +PJ019811 SSNQHH C27H40N12O11 708.294 NA PeJP NA NA +PJ019812 PEMFW C35H44N6O8S 708.2942 NA PeJP NA NA +8203 peptide from Cornu Bubali (Bubalus Bubalis horn) QYDQGV 708.2949 Dipeptides ;SYN:L-Cysteinylglycine; N-L-Cysteinylglycine; N-L-cysteinyl-Glycine; N-cysteinyl Glycine; N-cysteinyl-Glycine;Cys-GlyH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +PJ019813 APTEEY C31H44N6O13 708.2967 NA PeJP NA NA +PJ019814 LEMMW C32H48N6O8S2 708.2975 NA PeJP NA NA +PJ019815 TEHHW C32H40N10O9 708.298 NA PeJP NA NA +PJ019816 STLEEM C28H48N6O13S 708.3 NA PeJP NA NA +PJ019817 SPLMMM C29H52N6O8S3 708.3009 NA PeJP NA NA +PJ019818 GSTCRW C29H44N10O9S 708.3014 NA PeJP NA NA +PJ019819 GNFWW C37H40N8O7 708.302 NA PeJP NA NA +PJ019820 GSSSSER C25H44N10O14 708.3039 NA PeJP NA NA +PJ019821 GSQMMR C26H48N10O9S2 708.3047 NA PeJP NA NA +PJ019822 GGGTMMR C26H48N10O9S2 708.3048 NA PeJP NA NA +PJ019823 SCKWW C34H44N8O7S 708.3054 NA PeJP NA NA +PJ019824 SSSDKW C30H44N8O12 708.3079 NA PeJP NA NA +PJ019825 NKMMW C31H48N8O7S2 708.3088 NA PeJP NA NA +PJ019826 SSQKEM C27H48N8O12S 708.3113 NA PeJP NA NA +PJ019827 VEEFW C35H44N6O10 708.3119 NA PeJP NA NA +PJ019828 PCCKKM C28H52N8O7S3 708.3121 NA PeJP NA NA +PJ019829 EMHHR C28H44N12O8S 708.3126 NA PeJP NA NA +MJ091404 4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 5-Cinnamoyl, 2,7,9,10,13-penta-Ac C39H48O12 708.314577 NA MeJP NA NA +PJ019830 GPLEMY C32H48N6O10S 708.3153 NA PeJP NA NA +PJ019831 GSCMRR C25H48N12O8S2 708.316 NA PeJP NA NA +PJ019832 VMHHW C33H44N10O6S 708.3166 NA PeJP NA NA +PJ019833 SVLEMM C29H52N6O10S2 708.3187 NA PeJP NA NA +PJ019834 SSSSRW C29H44N10O11 708.3191 NA PeJP NA NA +PJ019835 GGGGGGGKY C29H44N10O11 708.3192 NA PeJP NA NA +PJ019836 AAHHHH C30H40N14O7 708.3205 NA PeJP NA NA +PJ019837 SSTQMR C26H48N10O11S 708.3225 NA PeJP NA NA +PJ019838 VNQYW C34H44N8O9 708.3231 NA PeJP NA NA +PJ019839 GGVQYW C34H44N8O9 708.3232 NA PeJP NA NA +PJ019840 GSTKMW C31H48N8O9S 708.3265 NA PeJP NA NA +PJ019841 PPFYW C39H44N6O7 708.3272 NA PeJP NA NA +PJ019842 GSSTTKE C27H48N8O14 708.329 NA PeJP NA NA +PJ019843 GDKKMM C28H52N8O9S2 708.3299 NA PeJP NA NA +PJ019844 GPNEHR C28H44N12O10 708.3304 NA PeJP NA NA +PJ019845 PLMYW C36H48N6O7S 708.3305 NA PeJP NA NA +PJ019846 PPVCFF C36H48N6O7S 708.3306 NA PeJP NA NA +PJ019847 SPTLEY C32H48N6O12 708.333 NA PeJP NA NA +PJ019848 GVLEEY C32H48N6O12 708.3331 NA PeJP NA NA +MJ091405 Bastaxanthol; 3'?-Alcohol, 16'-carboxylic acid, 3-O-sulfate C40H52O9S 708.333203 NA MeJP NA NA +PJ019849 SSTCRR C25H48N12O10S 708.3337 NA PeJP NA NA +PJ019850 APLMMF C33H52N6O7S2 708.3339 NA PeJP NA NA +MJ091406 Anchinopeptolide A; 7'-Demethyl C33H44N10O8 708.334358 NA MeJP NA NA +MJ091407 Anchinopeptolide A; 7-Demethyl C33H44N10O8 708.334358 NA MeJP NA NA +MJ091408 Cycloanchinopeptolide C C33H44N10O8 708.334358 NA MeJP NA NA +PJ019851 GQRYW C33H44N10O8 708.3344 NA PeJP NA NA +MJ091409 2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 5,7-Bis(2-methylpropanoyl), 2,3,8,9-tetra-Ac C36H52O14 708.335706 NA MeJP NA NA +MJ091410 2,8,9,11,12,14,16-Heptahydroxy-3,5-briaradien-18,7-olide, 16-Octanoyl, 2,9,12,14-tetra-Ac C36H52O14 708.335706 NA MeJP NA NA +MJ091411 3,12,14-Trihydroxybufa-4,20,22-trienolide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C36H52O14 708.335706 NA MeJP NA NA +MJ091412 3,12,14-Trihydroxybufa-4,20,22-trienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C36H52O14 708.335706 NA MeJP NA NA +MJ091413 3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C36H52O14 708.335706 NA MeJP NA NA +MJ091414 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucos-3-ulosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C36H52O14 708.335706 NA MeJP NA NA +MJ091415 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2-Hexanoyl, 4,7,9,10,13-penta-Ac C36H52O14 708.335706 NA MeJP NA NA +PJ019852 ALLMMM C30H56N6O7S3 708.3373 NA PeJP NA NA +PJ019853 QQMFR C30H48N10O8S 708.3377 NA PeJP NA NA +PJ019854 GAQMFR C30H48N10O8S 708.3378 NA PeJP NA NA +MJ091416 27-Norergost-22-ene-3,6,8,15,16,26-hexol, 26-O-(4-O-Sulfo-?-D-glucopyranoside) C33H56O14S 708.339077 NA MeJP NA NA +MJ091417 Ergost-22-ene-3,6,7,8,15,16,26-heptol, 3-O-?-D-Xylopyranoside, 26-sulfate C33H56O14S 708.339077 NA MeJP NA NA +PJ019855 ASSSTTR C26H48N10O13 708.3402 NA PeJP NA NA +PJ019856 GSSTTTR C26H48N10O13 708.3403 NA PeJP NA NA +PJ019857 GSKMMR C27H52N10O8S2 708.3411 NA PeJP NA NA +PJ019858 KMHFF C35H48N8O6S 708.3418 NA PeJP NA NA +PJ019859 SSTTKW C31H48N8O11 708.3443 NA PeJP NA NA +PJ019860 PNHRW C32H44N12O7 708.3456 NA PeJP NA NA +PJ019861 TTTQKM C28H52N8O11S 708.3476 NA PeJP NA NA +PJ019862 SSKKEM C28H52N8O11S 708.3477 NA PeJP NA NA +MJ091418 Antibiotic A 54556; Antibiotic A 54556H C36H48N6O9 708.348277 NA MeJP NA NA +MJ091419 N-[[4-[[[(2-Methylphenyl)amino]carbonyl]amino]phenyl]acetyl]leucyl-?-aspartylvalylproline C36H48N6O9 708.348277 NA MeJP NA NA +PJ019863 VLEYW C36H48N6O9 708.3483 NA PeJP NA NA +PJ019864 CQFRR C29H48N12O7S 708.349 NA PeJP NA NA +MJ091420 Antibiotic VM 44866; 26-(3-Furanylacetoxy) C40H52O11 708.350962 NA MeJP NA NA +PJ019865 SPVLMY C33H52N6O9S 708.3517 NA PeJP NA NA +PJ019866 TTLLMM C30H56N6O9S2 708.355 NA PeJP NA NA +PJ019867 NKERY C30H48N10O10 708.3555 NA PeJP NA NA +PJ019868 SSTKMR C27H52N10O10S 708.3589 NA PeJP NA NA +PJ019869 VNKYW C35H48N8O8 708.3595 NA PeJP NA NA +PJ019870 APCKKY C32H52N8O8S 708.3629 NA PeJP NA NA +PJ019871 PLFFW C40H48N6O6 708.3636 NA PeJP NA NA +MJ091421 Ornibactin C6 C28H52N8O13 708.365383 NA MeJP NA NA +PJ019872 SSSSTLK C28H52N8O13 708.3654 NA PeJP NA NA +PJ019873 ATKKMM C29H56N8O8S2 708.3663 NA PeJP NA NA +PJ019874 SQRRY C29H48N12O9 708.3667 NA PeJP NA NA +PJ019875 GGTRRY C29H48N12O9 708.3668 NA PeJP NA NA +PJ019876 LLMFW C37H52N6O6S 708.3669 NA PeJP NA NA +PJ019877 ATLLEY C33H52N6O11 708.3694 NA PeJP NA NA +PJ019878 GKRYW C34H48N10O7 708.3708 NA PeJP NA NA +PJ019879 QKMFR C31H52N10O7S 708.3741 NA PeJP NA NA +PJ019880 GAKMFR C31H52N10O7S 708.3742 NA PeJP NA NA +MJ091422 Stigmastane-3,6,8,15,16,26-hexol, 26-O-?-D-Xylopyranoside, 3-sulfate C34H60O13S 708.375462 NA MeJP NA NA +MJ091423 Stigmastane-3,6,8,15,16,29-hexol, 29-?-D-Xylopyranoside, 15-sulfate C34H60O13S 708.375462 NA MeJP NA NA +PJ019881 GSPHRR C28H48N14O8 708.378 NA PeJP NA NA +PJ019882 AAKKEY C32H52N8O10 708.3807 NA PeJP NA NA +PJ019883 LHHFR C33H48N12O6 708.382 NA PeJP NA NA +PJ019884 TTTKKM C29H56N8O10S 708.384 NA PeJP NA NA +PJ019885 GPLLFY C37H52N6O8 708.3847 NA PeJP NA NA +PJ019886 CKFRR C30H52N12O6S 708.3854 NA PeJP NA NA +PJ019887 GLLLMY C34H56N6O8S 708.3881 NA PeJP NA NA +PJ019888 DKKRY C31H52N10O9 708.3919 NA PeJP NA NA +MJ091424 Tricolorin F C34H60O15 708.393221 NA MeJP NA NA +PJ019889 TKKFW C36H52N8O7 708.3959 NA PeJP NA NA +PJ019890 GVKKMF C33H56N8O7S 708.3993 NA PeJP NA NA +MJ091425 Palinavir C41H52N6O5 708.399918 NA MeJP NA NA +PJ019891 SKRRY C30H52N12O8 708.4031 NA PeJP NA NA +PJ019892 GGGLLHR C30H52N12O8 708.4032 NA PeJP NA NA +PJ019893 STLLLY C34H56N6O10 708.4058 NA PeJP NA NA +MJ091426 16,23-Epoxycycloart-7-ene-3,15,16,24,25-pentol, 24-Ac, 3-O-?-D-galactopyranoside C38H60O12 708.408477 NA MeJP NA NA +MJ091427 2,3,16,20,25-Pentahydroxycucurbita-5,23-dien-22-one, 25-Ac, 2-O-?-D-glucopyranoside C38H60O12 708.408477 NA MeJP NA NA +MJ091428 2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, 2-Ac, ?-D-glucopyranosyl ester C38H60O12 708.408477 NA MeJP NA NA +MJ091429 24,25-Epoxy-2,3,25-trihydroxy-19,20-seco-9(11)-fernen-19-oic acid, 2-Ac, 3-O-?-D-glucopyranoside C38H60O12 708.408477 NA MeJP NA NA +MJ091430 Hovenidulcigenin A; 24,25?-Dihydro, 3-O-?-D-glucopyranoside C38H60O12 708.408477 NA MeJP NA NA +MJ091431 Spirost-5-en-3-ol, 3-O-[?-D-Apiofuranosyl-(1?4)-?-D-glucopyranoside] C38H60O12 708.408477 NA MeJP NA NA +MJ091432 Spirost-5-en-3-ol, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-glucopyranoside] C38H60O12 708.408477 NA MeJP NA NA +MJ091433 Spirost-5-ene-1,3-diol, 1-O-?-D-Xylopyranoside, 3-O-?-L-rhamnopyranoside C38H60O12 708.408477 NA MeJP NA NA +MJ091434 Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside] C38H60O12 708.408477 NA MeJP NA NA +MJ091435 Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C38H60O12 708.408477 NA MeJP NA NA +PJ019894 KKMFR C32H56N10O6S 708.4105 NA PeJP NA NA +PJ019895 LQHRR C29H52N14O7 708.4144 NA PeJP NA NA +PJ019896 ASLKKY C33H56N8O9 708.417 NA PeJP NA NA +PJ019897 GTLKKY C33H56N8O9 708.4171 NA PeJP NA NA +PJ019898 GLLLFF C38H56N6O7 708.4211 NA PeJP NA NA +MJ091436 Melianin A; 23-Deoxy, 24?-methoxy (24S-) C42H60O9 708.423733 NA MeJP NA NA +MJ091437 Melianin A; 23-Deoxy, 24?-methoxy (24R-) C42H60O9 708.423733 NA MeJP NA NA +PJ019899 PPVLQR C32H56N10O8 708.4283 NA PeJP NA NA +PJ019900 APPLRR C31H56N12O7 708.4395 NA PeJP NA NA +MJ091438 Spergulatriol; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside] C39H64O11 708.444862 NA MeJP NA NA +PJ019901 LKHRR C30H56N14O6 708.4508 NA PeJP NA NA +PJ019902 TLLLLH C34H60N8O8 708.4534 NA PeJP NA NA +PJ019903 GPPVVLK C34H60N8O8 708.4535 NA PeJP NA NA +MJ091439 4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 20-(9Z,12Z-Octadecadienoyl), 13-tigloyl C43H64O8 708.460119 NA MeJP NA NA +MJ091440 Lanost-5-ene-3,26-diol, 3-Ketone, 26-O-(4-O-benzoyl-?-D-glucopyranoside) C43H64O8 708.460119 NA MeJP NA NA +PJ019904 PPVLKR C33H60N10O7 708.4647 NA PeJP NA NA +MJ091441 Grisorixin C40H68O10 708.481248 NA MeJP NA NA +MJ091442 Stigmast-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-arabinopyranoside] C40H68O10 708.481248 NA MeJP NA NA +MJ091443 Belamcandone A C44H68O7 708.496504 NA MeJP NA NA +MJ091444 Fritillebin B C44H68O7 708.496504 NA MeJP NA NA +MJ091445 Ionomycin C41H72O9 708.517633 NA MeJP NA NA +MJ091446 3,23-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 3-Ketone, 23-hexadecanoyl C46H76O5 708.569275 NA MeJP NA NA +MJ091447 3,3',4,4'-Tetrahydrobisanhydrobacterioruberin C50H76O2 708.584531 NA MeJP NA NA +MJ091448 20(29)-Lupene-3,24-diol, 24-Carboxylic acid, 3-hexadecanoyl, Me ester C47H80O4 708.605661 NA MeJP NA NA +MJ091449 1,3,5-Tris(tetradecanoyl)benzene C48H84O3 708.642046 NA MeJP NA NA +MJ091450 20(29)-Lupen-3-ol, (3-Hydroxyoctadecanoyl) C48H84O3 708.642046 NA MeJP NA NA +MJ091451 20(29)-Lupene-3,6-diol, 3-Octadecanoyl C48H84O3 708.642046 NA MeJP NA NA +HMDB07180 DG(18:0/24:0/0:0) C45H88O5 708.663147 NA HMDB2010 NA NA +HMDB07376 DG(20:0/22:0/0:0) C45H88O5 708.663147 NA HMDB2010 NA NA +HMDB07600 DG(22:0/20:0/0:0) C45H88O5 708.663147 NA HMDB2010 NA NA +HMDB07796 DG(24:0/18:0/0:0) C45H88O5 708.663147 NA HMDB2010 NA NA +MJ091452 Glycerol 1,3-dialkanoates; Glycerol 1-docosanoate 3-eicosanoate C45H88O5 708.663175 NA MeJP NA NA +HMDB06727 CE(22:0) C49H88O2 708.678406 NA HMDB2010 NA NA +HMDB06727 Cholesteryl behenic acid C49H88O2 708.67841 http://www.hmdb.ca/metabolites/HMDB06727 HMDB NA NA +HMDB06727 Cholesteryl behenic acid C49H88O2 708.67841 HMDB06727 PFEM_hmdb_metabocards_official NA NA +MJ091453 Stigmast-5-en-3-ol, Eicosanoyl C49H88O2 708.678432 NA MeJP NA NA +FL7AACGL0098 Cyanidin 3,5-diglucoside (6'',6'''-malyl diester) C31H33O19 709.1616 - knapsack NA NA +PJ019905 CCCNMH C24H39N9O8S4 709.1805 NA PeJP NA NA +PJ019906 CNDDDE C24H35N7O16S 709.1861 NA PeJP NA NA +PJ019907 GSTCCCH C24H39N9O10S3 709.1982 NA PeJP NA NA +PJ019908 GGGGGPCCC C24H39N9O10S3 709.1983 NA PeJP NA NA +PJ019909 GCDDDW C28H35N7O13S 709.2014 NA PeJP NA NA +PJ019910 GSSDDDD C24H35N7O18 709.2039 NA PeJP NA NA +PJ019911 GSPCCDE C25H39N7O13S2 709.2048 NA PeJP NA NA +PJ019912 GPPCCCM C26H43N7O8S4 709.2056 NA PeJP NA NA +PJ019913 SSSSCCH C24H39N9O12S2 709.216 NA PeJP NA NA +PJ019914 SPCCDW C29H39N7O10S2 709.22 NA PeJP NA NA +PJ019915 SNDDEM C25H39N7O15S 709.2225 NA PeJP NA NA +PJ019916 PCNDMM C26H43N7O10S3 709.2234 NA PeJP NA NA +PJ019917 CMMYY C31H43N5O8S3 709.2274 NA PeJP NA NA +PJ019918 GCCNQW C28H39N9O9S2 709.2312 NA PeJP NA NA +PJ019919 GGGCCQW C28H39N9O9S2 709.2313 NA PeJP NA NA +PJ019920 GSSCNNE C24H39N9O14S 709.2337 NA PeJP NA NA +PJ019921 SCDDDR C24H39N9O14S 709.2338 NA PeJP NA NA +PJ019922 PCCCER C25H43N9O9S3 709.2346 NA PeJP NA NA +PJ019923 GSDDMW C29H39N7O12S 709.2378 NA PeJP NA NA +PJ019924 APCCMW C30H43N7O7S3 709.2386 NA PeJP NA NA +PJ019925 GSSSDEE C25H39N7O17 709.2403 NA PeJP NA NA +PJ019926 GNEEMM C26H43N7O12S2 709.2411 NA PeJP NA NA +PJ019927 GGGEEMM C26H43N7O12S2 709.2412 NA PeJP NA NA +PJ019928 CDFYY C34H39N5O10S 709.2418 NA PeJP NA NA +PJ019929 PCCNHH C27H39N11O8S2 709.2425 NA PeJP NA NA +PJ019930 SSCNNW C28H39N9O11S 709.249 NA PeJP NA NA +PJ019931 SSSSNND C24H39N9O16 709.2515 NA PeJP NA NA +PJ019932 GCDEMR C25H43N9O11S2 709.2524 NA PeJP NA NA +PJ019933 SCEWW C33H39N7O9S 709.253 NA PeJP NA NA +PJ019934 SSSDEW C29H39N7O14 709.2555 NA PeJP NA NA +PJ019935 NEMMW C30H43N7O9S2 709.2564 NA PeJP NA NA +PJ019936 SSQEEM C26H43N7O14S 709.2589 NA PeJP NA NA +PJ019937 SDYYY C34H39N5O12 709.2595 NA PeJP NA NA +PJ019938 SPNMMM C27H47N7O9S3 709.2598 NA PeJP NA NA +PJ019939 GNDMHH C27H39N11O10S 709.2602 NA PeJP NA NA +PJ019940 GGGDMHH C27H39N11O10S 709.2603 NA PeJP NA NA +PJ019941 CMFFY C35H43N5O7S2 709.2604 NA PeJP NA NA +PJ019942 SCCNQR C24H43N11O10S2 709.2636 NA PeJP NA NA +PJ019943 GNNNEY C28H39N9O13 709.2668 NA PeJP NA NA +PJ019944 CDMRW C29H43N9O8S2 709.2676 NA PeJP NA NA +PJ019945 SSDDMR C25H43N9O13S 709.2701 NA PeJP NA NA +PJ019946 NDEFW C33H39N7O11 709.2708 NA PeJP NA NA +PJ019947 PTCCMR C26H47N9O8S3 709.271 NA PeJP NA NA +PJ019948 CCLWW C34H43N7O6S2 709.2716 NA PeJP NA NA +PJ019949 GMMWW C34H43N7O6S2 709.2717 NA PeJP NA NA +MJ091454 Tolypomycinone C37H43NO13 709.27344 NA MeJP NA NA +PJ019950 GSTEMW C30H43N7O11S 709.2742 NA PeJP NA NA +PJ019951 CQHHW C31H39N11O7S 709.2755 NA PeJP NA NA +PJ019952 ASSSTEE C26H43N7O16 709.2766 NA PeJP NA NA +PJ019953 GSSTTEE C26H43N7O16 709.2767 NA PeJP NA NA +PJ019954 GDKEMM C27H47N7O11S2 709.2775 NA PeJP NA NA +PJ019955 SSNEHH C27H39N11O12 709.278 NA PeJP NA NA +PJ019956 AMYYY C35H43N5O9S 709.2782 NA PeJP NA NA +PJ019957 GSSSCNR C24H43N11O12S 709.2814 NA PeJP NA NA +PJ019958 NNNYW C32H39N9O10 709.282 NA PeJP NA NA +PJ019959 GPCDRY C29H43N9O10S 709.2854 NA PeJP NA NA +PJ019960 GDFWW C37H39N7O8 709.286 NA PeJP NA NA +PJ019961 SSSSSQQ C25H43N9O15 709.2879 NA PeJP NA NA +PJ019962 GSEMMR C26H47N9O10S2 709.2888 NA PeJP NA NA +PJ019963 STMWW C34H43N7O8S 709.2894 NA PeJP NA NA +PJ019964 SSTTEW C30H43N7O13 709.2919 NA PeJP NA NA +PJ019965 DKMMW C31H47N7O8S2 709.2928 NA PeJP NA NA +PJ019966 GSSHHW C31H39N11O9 709.2933 NA PeJP NA NA +PJ019967 CFFFF C39H43N5O6S 709.2934 NA PeJP NA NA +PJ019968 SSKEEM C27H47N7O13S 709.2953 NA PeJP NA NA +PJ019969 TTYYY C35H43N5O11 709.2959 NA PeJP NA NA +PJ019970 AVQMMM C28H51N7O8S3 709.2961 NA PeJP NA NA +PJ019971 GLQMMM C28H51N7O8S3 709.2962 NA PeJP NA NA +PJ019972 GCNNFR C28H43N11O9S 709.2966 NA PeJP NA NA +PJ019973 SCCNKR C25H47N11O9S2 709.3 NA PeJP NA NA +PJ019974 APPCHW C33H43N9O7S 709.3006 NA PeJP NA NA +PJ019975 NEERY C29H43N9O12 709.3031 NA PeJP NA NA +PJ019976 GGEERY C29H43N9O12 709.3032 NA PeJP NA NA +PJ019977 SMMRW C30H47N9O7S2 709.304 NA PeJP NA NA +PJ019978 SSTEMR C26H47N9O12S 709.3065 NA PeJP NA NA +PJ019979 VNEYW C34H43N7O10 709.3072 NA PeJP NA NA +PJ019980 AAMMMR C27H51N9O7S3 709.3074 NA PeJP NA NA +PJ019981 GTCHHR C27H43N13O8S 709.3079 NA PeJP NA NA +PJ019982 SSSLMW C31H47N7O10S 709.3105 NA PeJP NA NA +PJ019983 GGALDMF C31H47N7O10S 709.3106 NA PeJP NA NA +PJ019984 AFFYY C39H43N5O8 709.3112 NA PeJP NA NA +PJ019985 CKHHW C32H43N11O6S 709.3119 NA PeJP NA NA +PJ019986 SSSSTLE C27H47N7O15 709.313 NA PeJP NA NA +PJ019987 ATKEMM C28H51N7O10S2 709.3139 NA PeJP NA NA +PJ019988 GSNNRY C28H43N11O11 709.3144 NA PeJP NA NA +PJ019989 GERYW C33H43N9O9 709.3184 NA PeJP NA NA +PJ019990 GSPMRY C30H47N9O9S 709.3218 NA PeJP NA NA +PJ019991 GVYWW C38H43N7O7 709.3224 NA PeJP NA NA +PJ019992 SSSSSQK C26H47N9O14 709.3243 NA PeJP NA NA +PJ019993 ATTMMR C27H51N9O9S2 709.3251 NA PeJP NA NA +PJ019994 GGSCKKM C27H51N9O9S2 709.3252 NA PeJP NA NA +PJ019995 SSSHHR C27H43N13O10 709.3256 NA PeJP NA NA +PJ019996 VQMFW C35H47N7O7S 709.3258 NA PeJP NA NA +PJ019997 TTTTTW C31H47N7O12 709.3283 NA PeJP NA NA +PJ019998 GPKMMF C32H51N7O7S2 709.3292 NA PeJP NA NA +PJ019999 PDHRW C32H43N11O8 709.3296 NA PeJP NA NA +PJ020000 GGGVHHF C32H43N11O8 709.3297 NA PeJP NA NA +PJ020001 TTTKEM C28H51N7O12S 709.3317 NA PeJP NA NA +PJ020002 GLKMMM C29H55N7O7S3 709.3325 NA PeJP NA NA +PJ020003 CEFRR C29H47N11O8S 709.333 NA PeJP NA NA +PJ020004 RYWW C37H43N9O6 709.3337 NA PeJP NA NA +PJ020005 AMFRW C34H47N9O6S 709.337 NA PeJP NA NA +PJ020006 DKERY C30H47N9O11 709.3395 NA PeJP NA NA +PJ020007 GGGAASPPP C30H47N9O11 709.3396 NA PeJP NA NA +MJ091455 Thiazinotrienomycin A; 33,34-Dihydro C38H51N3O8S 709.339686 NA MeJP NA NA +MJ091456 Thiazinotrienomycin D; 33,34-Dihydro C38H51N3O8S 709.339686 NA MeJP NA NA +PJ020008 NHHFR C31H43N13O7 709.3409 NA PeJP NA NA +PJ020009 TTTTMR C27H51N9O11S 709.3429 NA PeJP NA NA +PJ020010 TLQYW C35H47N7O9 709.3435 NA PeJP NA NA +PJ020011 VDKYW C35H47N7O9 709.3436 NA PeJP NA NA +MJ091457 Austrotaxine; 2'-Deacetoxy C39H51NO11 709.346211 NA MeJP NA NA +PJ020012 APTKMY C32H51N7O9S 709.3469 NA PeJP NA NA +PJ020013 SSTTTTL C28H51N7O14 709.3494 NA PeJP NA NA +PJ020014 STLKMM C29H55N7O9S2 709.3503 NA PeJP NA NA +PJ020015 SERRY C29H47N11O10 709.3508 NA PeJP NA NA +MJ091458 Metamorphosin A C34H47N9O8 709.354759 NA MeJP NA NA +PJ020016 SVRYW C34H47N9O8 709.3548 NA PeJP NA NA +PJ020017 LQMRY C31H51N9O8S 709.3581 NA PeJP NA NA +PJ020018 GALMRY C31H51N9O8S 709.3582 NA PeJP NA NA +PJ020019 LHFFF C39H47N7O6 709.3588 NA PeJP NA NA +PJ020020 SSSSSKK C27H51N9O13 709.3606 NA PeJP NA NA +PJ020021 TCCKKK C28H55N9O8S2 709.3615 NA PeJP NA NA +PJ020022 AAQQHR C28H47N13O9 709.362 NA PeJP NA NA +PJ020023 VKMFW C36H51N7O6S 709.3622 NA PeJP NA NA +PJ020024 GTLKEY C32H51N7O11 709.3647 NA PeJP NA NA +PJ020025 GPPHFR C33H47N11O7 709.366 NA PeJP NA NA +MJ091459 Arenomycin B C36H55NO13 709.36734 NA MeJP NA NA +PJ020026 CLRRY C30H51N11O7S 709.3694 NA PeJP NA NA +PJ020027 NQHRR C27H47N15O8 709.3732 NA PeJP NA NA +PJ020028 GGGAHRR C27H47N15O8 709.3733 NA PeJP NA NA +PJ020029 GTTLRY C31H51N9O10 709.3759 NA PeJP NA NA +PJ020030 TLKYW C36H51N7O8 709.3799 NA PeJP NA NA +PJ020031 GGGLLFF C36H51N7O8 709.38 NA PeJP NA NA +PJ020032 GVLKMY C33H55N7O8S 709.3833 NA PeJP NA NA +PJ020033 SPTLHR C30H51N11O9 709.3871 NA PeJP NA NA +PJ020034 GVLEHR C30H51N11O9 709.3872 NA PeJP NA NA +PJ020035 AALLHW C35H51N9O7 709.3912 NA PeJP NA NA +MJ091460 3,14,19-Trihydroxybufa-20,22-dienolide, 3-Suberoyl-L-(3-methylhistidine) ester C39H55N3O9 709.39383 NA MeJP NA NA +PJ020036 LKMRY C32H55N9O7S 709.3945 NA PeJP NA NA +PJ020037 PPPLMR C32H55N9O7S 709.3946 NA PeJP NA NA +PJ020038 LEHRR C29H51N13O8 709.3984 NA PeJP NA NA +PJ020039 SSLLKY C33H55N7O10 709.4011 NA PeJP NA NA +PJ020040 VLHRW C34H51N11O6 709.4024 NA PeJP NA NA +MJ091461 Cirramycin A1; 4'-O-(Tetrahydro-(6R)-methyl-5-oxo-2H-pyran-2-yl) C37H59NO12 709.403726 NA MeJP NA NA +MJ091462 Germine; O3-(2R,3R)-2,3-Dihydroxy-2-methylbutanoyl, O15-(R)-2-methylbutanoyl C37H59NO12 709.403726 NA MeJP NA NA +MJ091463 Germine; O3-(2S,3R)-2,3-Dihydroxy-2-methylbutanoyl, O15-(R)-2-methylbutanoyl C37H59NO12 709.403726 NA MeJP NA NA +MJ091464 Protoverine; O3-(2-Hydroxy-2-methylbutanoyl), O15-(2-methylbutanoyl) C37H59NO12 709.403726 NA MeJP NA NA +PJ020041 NKHRR C28H51N15O7 709.4096 NA PeJP NA NA +PJ020042 GSKKKY C32H55N9O9 709.4123 NA PeJP NA NA +PJ020043 PPVVLW C37H55N7O7 709.4163 NA PeJP NA NA +PJ020044 ATLLHR C31H55N11O8 709.4235 NA PeJP NA NA +PJ020045 GGPPVKR C31H55N11O8 709.4236 NA PeJP NA NA +PJ020046 LKFFR C36H55N9O6 709.4276 NA PeJP NA NA +PJ020047 GPPKRR C30H55N13O7 709.4348 NA PeJP NA NA +3885 temporin C LLPILGNLLNGLLG 709.4364 MH2+ Inhouse_peptide NA peptide +PJ020048 GPPTLLL C34H59N7O9 709.4375 NA PeJP NA NA +MJ091465 Fasciculic acid C C38H63NO11 709.440111 NA MeJP NA NA +MJ091466 Spirosolan-3-ol, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-galactopyranoside] C38H63NO11 709.440111 NA MeJP NA NA +MJ091467 Spirosolan-3-ol, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C38H63NO11 709.440111 NA MeJP NA NA +PJ020049 SLLLKH C33H59N9O8 709.4487 NA PeJP NA NA +MJ091468 Spirolide E C42H63NO8 709.455367 NA MeJP NA NA +PJ020050 GLKKKH C32H59N11O7 709.4599 NA PeJP NA NA +HMDB08840 PE(14:0/20:5(5Z,8Z,11Z,14Z,17Z)) C39H68NO8P 709.468262 NA HMDB2010 NA NA +HMDB08871 PE(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C39H68NO8P 709.468262 NA HMDB2010 NA NA +HMDB08872 PE(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C39H68NO8P 709.468262 NA HMDB2010 NA NA +HMDB08964 PE(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C39H68NO8P 709.468262 NA HMDB2010 NA NA +HMDB09188 PE(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)) C39H68NO8P 709.468262 NA HMDB2010 NA NA +HMDB09383 PE(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)) C39H68NO8P 709.468262 NA HMDB2010 NA NA +HMDB09416 PE(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)) C39H68NO8P 709.468262 NA HMDB2010 NA NA +HMDB09448 PE(20:5(5Z,8Z,11Z,14Z,17Z)/14:0) C39H68NO8P 709.468262 NA HMDB2010 NA NA +PJ020051 AAPLLLL C35H63N7O8 709.4738 NA PeJP NA NA +PJ020052 AAPILLL C35H63N7O8 709.4739 NA PeJP NA NA +PJ020053 PVLLLR C34H63N9O7 709.4851 NA PeJP NA NA +MJ091469 2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-Hexadecanoyl, 1-O-?-D-glucopyranoside C41H75NO8 709.549268 NA MeJP NA NA +MJ091470 Ageliferin; 2'-Bromo, 1'-N-Me C23H25Br3N10O2 709.971208 NA MeJP NA NA +MJ091471 Ageliferin; 2-Bromo, 1'-N-Me C23H25Br3N10O2 709.971208 NA MeJP NA NA +MJ091472 Antibiotic Sch 52900; 1''-Deoxy C31H30N6O6S4 710.110965 NA MeJP NA NA +MJ091473 Chaetomin C31H30N6O6S4 710.110965 NA MeJP NA NA +PJ020054 CCCDMH C24H38N8O9S4 710.1645 NA PeJP NA NA +FL3FAADS0031 Apigenin 6-C-glucosyl-7-O-(6-malyl-glucoside) C31H34O19 710.16942 592522-41-3 knapsack NA NA +FL3FFCGS0009 8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-6''-acetylglucoside] C31H34O19 710.16942 108706-10-1 knapsack NA NA +FL3FFCGS0010 8-Hydroxyluteolin 7-[6'''-acethylallosyl-(1->2)-3''-acetylglucoside] C31H34O19 710.16942 135626-71-0 knapsack NA NA +MJ091474 3',4',5,7,8-Pentahydroxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-3-O-acetyl-?-D-glucopyranoside] C31H34O19 710.169428 NA MeJP NA NA +MJ091475 3',4',5,7,8-Pentahydroxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] C31H34O19 710.169428 NA MeJP NA NA +MJ091476 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3,5-Bis-O-(6-O-acetyl-?-D-glucopyranoside) C31H35O19(+) 710.169428 NA MeJP NA NA +MJ091477 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(6-O-Succinoyl-?-D-glucopyranoside), 5-O-?-D-glucopyranoside C31H35O19(+) 710.169428 NA MeJP NA NA +MJ091478 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside), 5-O-?-D-glucopyranoside C31H35O19(+) 710.169428 NA MeJP NA NA +PJ020055 CDDDDE C24H34N6O17S 710.1701 NA PeJP NA NA +PJ020056 GPCCCND C24H38N8O11S3 710.1823 NA PeJP NA NA +FL5FAAGS0121 Kaempferol 3-(2''-(E)-p-coumaroyl-alpha-L-arabinofuranoside)-7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-3-[[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-arabinofuranosyl]oxy]-4H-1-benzopyran-4-one C35H34O16 710.18468 452070-48-3 knapsack NA NA +PJ020057 GCCCYY C29H38N6O9S3 710.1863 NA PeJP NA NA +PJ020058 CNNDDM C24H38N8O13S2 710.2 NA PeJP NA NA +PJ020059 SCCMMH C25H42N8O8S4 710.2009 NA PeJP NA NA +FL3FAADS0012 Isovitexin 7-O-xyloside-2''-O-rhamnoside C32H38O18 710.20581 102506-63-8 knapsack NA NA +FL5FAAGS0040 Sagittatin A C32H38O18 710.20581 124704-85-4 knapsack NA NA +FL5FAAGS0088 Kaempferol 3-xylosyl-(1->4)-rhamnoside-7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3-[(6-deoxy-4-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C32H38O18 710.20581 262852-69-7 knapsack NA NA +FL5FAAGS0089 Kaempferol 3-rhamnoside-7-xylosyl-(1->2)-rhamnoside;3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-7-[(6-deoxy-2-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C32H38O18 710.20581 238736-48-6 knapsack NA NA +FL5FAAGS0090 Kaempferol 3-apiosyl-(1->4)-rhamnoside-7-rhamnoside;3-[(4-O-D-apio-beta-D-furanosyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C32H38O18 710.20581 262852-68-6 knapsack NA NA +MJ091479 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-?-L-rhamnopyranoside C32H38O18 710.205814 NA MeJP NA NA +MJ091480 Afzelin; 7-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside] C32H38O18 710.205814 NA MeJP NA NA +MJ091481 Isomollupentin; 7-O-Rhamnosylglucoside C32H38O18 710.205814 NA MeJP NA NA +MJ091482 Isovitexin; 2''-O-?-L-Rhamnopyranosyl, 7-O-D-xyloside C32H38O18 710.205814 NA MeJP NA NA +MJ091483 ?-Rhamnoisorobin; 3-O-[?-D-Apiofuranosyl-(1?4)-?-L-rhamnopyranoside] C32H38O18 710.205814 NA MeJP NA NA +MJ091484 ?-Rhamnoisorobin; 3-O-[?-D-Xylopyranosyl-(1?4)-?-L-rhamnopyranoside] C32H38O18 710.205814 NA MeJP NA NA +MJ091485 ?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1??)-arabinoside] C32H38O18 710.205814 NA MeJP NA NA +PJ020060 SDDDEM C25H38N6O16S 710.2065 NA PeJP NA NA +PJ020061 PCDDMM C26H42N6O11S3 710.2074 NA PeJP NA NA +PJ020062 GSCCNNN C23H38N10O12S2 710.2112 NA PeJP NA NA +PJ020063 GGGGGSCCN C23H38N10O12S2 710.2113 NA PeJP NA NA +MJ091486 Gnetin E; 3''-Methoxy C43H34O10 710.215197 NA MeJP NA NA +PJ020064 GCCNEW C28H38N8O10S2 710.2153 NA PeJP NA NA +MJ091487 Iralukast C38H37F3O8S 710.216123 NA MeJP NA NA +PJ020065 GSSCNDE C24H38N8O15S 710.2178 NA PeJP NA NA +PJ020066 GSPCCNM C25H42N8O10S3 710.2186 NA PeJP NA NA +MJ091488 Bambusicolaside IV; 4-Deoxy C36H38O15 710.22107 NA MeJP NA NA +MJ091489 Glycerol tris(4-hydroxy-3,5-dimethoxyphenyl-2-propenoate) C36H38O15 710.22107 NA MeJP NA NA +MJ091490 [p-Terphenyl]-2',3',4,4'',5',6'-hexol; Bis(3-acetoxybutanoyl), 3-hydroxybutanoyl, Ac C36H38O15 710.22107 NA MeJP NA NA +PJ020067 PCDDDF C29H38N6O13S 710.2218 NA PeJP NA NA +PJ020068 GDEEMM C26H42N6O13S2 710.2252 NA PeJP NA NA +PJ020069 PCCDHH C27H38N10O9S2 710.2265 NA PeJP NA NA +MJ091491 ?-D-Fructofuranosyl ?-D-glucopyranosyl-(1?4)-D-glucopyranoside; 3'-O-(4-Hydroxy-3,5-dimethoxy-E-cinnamoyl) C29H42O20 710.226943 NA MeJP NA NA +MJ091492 ?-D-Fructofuranosyl ?-D-glucopyranosyl-(1?4)-D-glucopyranoside; 6-O-(4-Hydroxy-3,5-dimethoxy-E-cinnamoyl) C29H42O20 710.226943 NA MeJP NA NA +PJ020070 CCNWW C32H38N8O7S2 710.2305 NA PeJP NA NA +PJ020071 SSCNDW C28H38N8O12S 710.233 NA PeJP NA NA +PJ020072 ACCMHF C29H42N8O7S3 710.2339 NA PeJP NA NA +PJ020073 SSSSNDD C24H38N8O17 710.2355 NA PeJP NA NA +MJ091493 Albanin F; 12,13-Dihydro, 13-hydroxy C40H38O12 710.236326 NA MeJP NA NA +PJ020074 SNNDMM C25H42N8O12S2 710.2364 NA PeJP NA NA +PJ020075 SPDDDY C29H38N6O15 710.2395 NA PeJP NA NA +PJ020076 GDDEEF C29H38N6O15 710.2396 NA PeJP NA NA +PJ020077 DEMMW C30H42N6O10S2 710.2404 NA PeJP NA NA +MJ091494 2',4',6'-Trihydroxyacetophenone; 2'-O-(4-Hydroxyphenylacetyl), 6'-O-(4-hydroxy-3-methylbutanoyl), 4'-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C33H42O17 710.242199 NA MeJP NA NA +MJ091495 Catalpol; 6-O-[(4-Methoxy-Z-cinnamoyl)-(?3)-2-O-acetyl-?-L-rhamnopyranoside] C33H42O17 710.242199 NA MeJP NA NA +MJ091496 Catalpol; 6-O-[4-Methoxycinnamoyl-(?2)-3-O-acetyl-?-L-rhamnopyranoside] C33H42O17 710.242199 NA MeJP NA NA +PJ020078 SSEEEM C26H42N6O15S 710.2429 NA PeJP NA NA +PJ020079 SPDMMM C27H46N6O10S3 710.2438 NA PeJP NA NA +PJ020080 GDDMHH C27H38N10O11S 710.2443 NA PeJP NA NA +PJ020081 SCCNER C24H42N10O11S2 710.2476 NA PeJP NA NA +PJ020082 GNNDEY C28H38N8O14 710.2508 NA PeJP NA NA +PJ020083 GSCQMW C29H42N8O9S2 710.2516 NA PeJP NA NA +PJ020084 GCCDKW C29H42N8O9S2 710.2517 NA PeJP NA NA +PJ020085 GSSSNEM C25H42N8O14S 710.2541 NA PeJP NA NA +PJ020086 GGGSSSEM C25H42N8O14S 710.2542 NA PeJP NA NA +PJ020087 DDEFW C33H38N6O12 710.2548 NA PeJP NA NA +PJ020088 GNQMMM C26H46N8O9S3 710.255 NA PeJP NA NA +PJ020089 SCNNHH C26H38N12O10S 710.2555 NA PeJP NA NA +MJ091497 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,6,8,14-tetra-Ac C37H42O14 710.257456 NA MeJP NA NA +MJ091498 Antibiotic PI 080; 3-O-Deglycosyl C37H42O14 710.257456 NA MeJP NA NA +MJ091499 Vineomycin B2; 12-O-Deglycosyl C37H42O14 710.257456 NA MeJP NA NA +PJ020090 GPDEMY C30H42N6O12S 710.2582 NA PeJP NA NA +PJ020091 CEHHW C31H38N10O8S 710.2595 NA PeJP NA NA +PJ020092 ATEEMM C27H46N6O12S2 710.2615 NA PeJP NA NA +PJ020093 SSDEHH C27H38N10O13 710.262 NA PeJP NA NA +PJ020094 APMMMM C28H50N6O7S4 710.2624 NA PeJP NA NA +PJ020095 GSCCRW C28H42N10O8S2 710.2629 NA PeJP NA NA +PJ020096 GSSSCDR C24H42N10O13S 710.2654 NA PeJP NA NA +PJ020097 NNDYW C32H38N8O11 710.266 NA PeJP NA NA +PJ020098 GCNMMR C25H46N10O8S3 710.2663 NA PeJP NA NA +PJ020099 SSSNMW C29H42N8O11S 710.2694 NA PeJP NA NA +PJ020100 SSSSSQE C25H42N8O16 710.2719 NA PeJP NA NA +PJ020101 SSQQMM C26H46N8O11S2 710.2728 NA PeJP NA NA +PJ020102 PDMYW C34H42N6O9S 710.2734 NA PeJP NA NA +PJ020103 AAEEEY C30H42N6O14 710.2759 NA PeJP NA NA +PJ020104 PPTCMY C31H46N6O9S2 710.2768 NA PeJP NA NA +PJ020105 ACCCRR C24H46N12O7S3 710.2775 NA PeJP NA NA +MJ091500 Bruceolide; 15-O-(3,4-Dimethyl-2E-pentenoyl), 3-O-?-D-glucopyranoside C34H46O16 710.278585 NA MeJP NA NA +MJ091501 Bruceosin; 15-Deacyl, 15-(3,4-dimethyl-2E-pentenoyl), 2-O-?-D-glucopyranoside C34H46O16 710.278585 NA MeJP NA NA +MJ091502 Yadanzioside N C34H46O16 710.278585 NA MeJP NA NA +PJ020106 TTTEEM C27H46N6O14S 710.2793 NA PeJP NA NA +PJ020107 GLEMMM C28H50N6O9S3 710.2802 NA PeJP NA NA +PJ020108 GCNDFR C28H42N10O10S 710.2806 NA PeJP NA NA +PJ020109 GGGSPPCH C28H42N10O10S 710.2807 NA PeJP NA NA +PJ020110 SSCQMR C25H46N10O10S2 710.284 NA PeJP NA NA +PJ020111 CQQFW C33H42N8O8S 710.2846 NA PeJP NA NA +PJ020112 NNMFW C33H42N8O8S 710.2847 NA PeJP NA NA +PJ020113 ASSSSSW C29H42N8O13 710.2871 NA PeJP NA NA +PJ020114 GSSSSTW C29H42N8O13 710.2872 NA PeJP NA NA +PJ020115 GSCKMW C30H46N8O8S2 710.288 NA PeJP NA NA +PJ020116 GSSSDKM C26H46N8O13S 710.2905 NA PeJP NA NA +PJ020117 VDEYW C34H42N6O11 710.2912 NA PeJP NA NA +PJ020118 GNKMMM C27H50N8O8S3 710.2914 NA PeJP NA NA +PJ020119 PMMFW C35H46N6O6S2 710.2921 NA PeJP NA NA +MJ091503 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 14-(2-methylbutanoyl), 6,8-di-Ac C38H46O13 710.293841 NA MeJP NA NA +PJ020120 APTEMY C31H46N6O11S 710.2946 NA PeJP NA NA +PJ020121 SSCCRR C24H46N12O9S2 710.2952 NA PeJP NA NA +PJ020122 LMMMW C32H50N6O6S3 710.2954 NA PeJP NA NA +PJ020123 TMHHW C32H42N10O7S 710.2959 NA PeJP NA NA +PJ020124 STLEMM C28H50N6O11S2 710.2979 NA PeJP NA NA +PJ020125 GSNDRY C28H42N10O12 710.2984 NA PeJP NA NA +PJ020126 GVMMHH C29H46N10O7S2 710.2993 NA PeJP NA NA +PJ020127 GSHHHH C29H38N14O8 710.2997 NA PeJP NA NA +MJ091504 6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C31H50O18 710.299714 NA MeJP NA NA +PJ020128 GSSSSMR C25H46N10O12S 710.3018 NA PeJP NA NA +PJ020129 SQQYW C33H42N8O10 710.3024 NA PeJP NA NA +PJ020130 ACCKMR C26H50N10O7S3 710.3026 NA PeJP NA NA +PJ020131 SSTCKW C30H46N8O10S 710.3058 NA PeJP NA NA +PJ020132 PDFFW C38H42N6O8 710.3064 NA PeJP NA NA +PJ020133 SSSSSKE C26H46N8O15 710.3083 NA PeJP NA NA +MJ091505 3,3',4,4',9,9'-Hexahydroxylignan, 3,3',4,4'-Tetra-Me ether, 9,9'-bis(p-methoxycinnamoyl) C42H46O10 710.309097 NA MeJP NA NA +PJ020134 SSQKMM C27H50N8O10S2 710.3091 NA PeJP NA NA +PJ020135 GGSTKMM C27H50N8O10S2 710.3092 NA PeJP NA NA +PJ020136 GNQQQH C27H42N12O11 710.3096 NA PeJP NA NA +PJ020137 GGGGGGVNH C27H42N12O11 710.3097 NA PeJP NA NA +MJ091506 Amogastrin C35H46N6O8S 710.309783 NA MeJP NA NA +PJ020138 VEMFW C35H46N6O8S 710.3098 NA PeJP NA NA +PJ020139 MMHHR C28H46N12O6S2 710.3105 NA PeJP NA NA +PJ020140 GTLEEY C31H46N6O13 710.3123 NA PeJP NA NA +PJ020141 GPLMMY C32H50N6O8S2 710.3132 NA PeJP NA NA +PJ020142 ASPNHW C32H42N10O9 710.3136 NA PeJP NA NA +PJ020143 GSPQHW C32H42N10O9 710.3137 NA PeJP NA NA +MJ091507 11-Hydroxy-13-oxo-16-atisen-19-oic acid, [?-L-Arabinopyranosyl(1?4)-(2,3-diacetyl-?-D-glucopyranosyl)] ester C35H50O15 710.31497 NA MeJP NA NA +PJ020144 SVLMMM C29H54N6O8S3 710.3165 NA PeJP NA NA +PJ020145 VVTMMM C29H54N6O8S3 710.3166 NA PeJP NA NA +PJ020146 NQMRY C29H46N10O9S 710.317 NA PeJP NA NA +PJ020147 NHFFF C37H42N8O7 710.3177 NA PeJP NA NA +PJ020148 SSSSSTR C25H46N10O14 710.3195 NA PeJP NA NA +MJ091508 Thalifabine C41H46N2O9 710.320331 NA MeJP NA NA +PJ020149 SSCKMR C26H50N10O9S2 710.3204 NA PeJP NA NA +PJ020150 GNNNHR C26H42N14O10 710.3209 NA PeJP NA NA +PJ020151 CQKFW C34H46N8O7S 710.321 NA PeJP NA NA +PJ020152 GACKFW C34H46N8O7S 710.3211 NA PeJP NA NA +PJ020153 GSQKEY C30H46N8O12 710.3235 NA PeJP NA NA +PJ020154 GGGTKEY C30H46N8O12 710.3236 NA PeJP NA NA +PJ020155 PPVMMH C31H50N8O7S2 710.3244 NA PeJP NA NA +PJ020156 DHHFR C31H42N12O8 710.3249 NA PeJP NA NA +PJ020157 GSSTTKM C27H50N8O12S 710.3269 NA PeJP NA NA +PJ020158 TLEYW C35H46N6O10 710.3276 NA PeJP NA NA +PJ020159 ACKKMM C28H54N8O7S3 710.3278 NA PeJP NA NA +PJ020160 CNRRY C28H46N12O8S 710.3283 NA PeJP NA NA +PJ020161 GVLEMY C32H50N6O10S 710.3309 NA PeJP NA NA +PJ020162 GSTQRY C29H46N10O11 710.3348 NA PeJP NA NA +MJ091509 4(15)-Eudesmene-2,3,11-triol, 2-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside], 11-O-?-D-glucopyranoside C32H54O17 710.3361 NA MeJP NA NA +PJ020163 SQKYW C34H46N8O9 710.3388 NA PeJP NA NA +MJ091510 Glaudelsine; 16-O-De-Me, O6-Me, 16-Ac C38H50N2O11 710.34146 NA MeJP NA NA +MJ091511 Nudicauline C38H50N2O11 710.34146 NA MeJP NA NA +C08702 Nudicauline C38H50N2O11 710.3415 NA KEGG NA NA +PJ020164 LEMRY C31H50N8O9S 710.3422 NA PeJP NA NA +PJ020165 PVFYW C39H46N6O7 710.3428 NA PeJP NA NA +PJ020166 SSSTTTK C27H50N8O14 710.3447 NA PeJP NA NA +MJ091512 Pycnocomolide; 3'',4''-Dimethoxy C43H50O9 710.345483 NA MeJP NA NA +PJ020167 SSKKMM C28H54N8O9S2 710.3455 NA PeJP NA NA +PJ020168 AAQEHR C28H46N12O10 710.346 NA PeJP NA NA +PJ020169 VLMYW C36H50N6O7S 710.3462 NA PeJP NA NA +PJ020170 SSLLEY C32H50N6O12 710.3487 NA PeJP NA NA +PJ020171 GLLMMF C33H54N6O7S2 710.3496 NA PeJP NA NA +PJ020172 GSPKHW C33H46N10O8 710.35 NA PeJP NA NA +PJ020173 GGAALHW C33H46N10O8 710.3501 NA PeJP NA NA +MJ091513 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] C36H54O14 710.351356 NA MeJP NA NA +MJ091514 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C36H54O14 710.351356 NA MeJP NA NA +MJ091515 Gitaloxigenin; 3-O-[?-D-Glucopyranosyl-(1?4)-D-digitoxoside] C36H54O14 710.351356 NA MeJP NA NA +MJ091516 Tanghinigenin; 17-Epimer, 3-O-[?-D-glucopyranosyl(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] C36H54O14 710.351356 NA MeJP NA NA +C16820 k-Strophanthin-beta C36H54O14 710.3514 NA KEGG NA NA +C17526 Boivinide A C36H54O14 710.3514 NA KEGG NA NA +PJ020174 NKMRY C30H50N10O8S 710.3534 NA PeJP NA NA +MJ091517 Hebridamine C42H50N2O8 710.356716 NA MeJP NA NA +PJ020175 NEHRR C27H46N14O9 710.3573 NA PeJP NA NA +PJ020176 CKKFW C35H50N8O6S 710.3574 NA PeJP NA NA +PJ020177 GSKKEY C31H50N8O11 710.3599 NA PeJP NA NA +PJ020178 GGAAPPLE C31H50N8O11 710.36 NA PeJP NA NA +PJ020179 VNHRW C32H46N12O7 710.3613 NA PeJP NA NA +3491 ACE inhibitor from sake lees IYPRY 710.363 ACE inhibitor Inhouse_peptide NA peptide +PJ020180 APVVYY C36H50N6O9 710.3639 NA PeJP NA NA +PJ020181 GPVLYY C36H50N6O9 710.364 NA PeJP NA NA +PJ020182 APCKHR C29H50N12O7S 710.3647 NA PeJP NA NA +PJ020183 ATLLMY C33H54N6O9S 710.3673 NA PeJP NA NA +PJ020184 GSTKRY C30H50N10O10 710.3712 NA PeJP NA NA +PJ020185 GHRRW C31H46N14O6 710.3725 NA PeJP NA NA +PJ020186 SKKYW C35H50N8O8 710.3752 NA PeJP NA NA +PJ020187 AAKKMY C32H54N8O8S 710.3786 NA PeJP NA NA +PJ020188 VLFFW C40H50N6O6 710.3792 NA PeJP NA NA +PJ020189 GPPERR C29H50N12O9 710.3824 NA PeJP NA NA +PJ020190 TTTLLY C33H54N6O11 710.3851 NA PeJP NA NA +PJ020191 GPPVRW C34H50N10O7 710.3864 NA PeJP NA NA +MJ091518 2,3,16,23-Tetrahydroxy-12-oleanene-24,28-dioic acid, 2-Me ether, 3-O-?-D-glucopyranoside C37H58O13 710.387741 NA MeJP NA NA +MJ091519 3-Hydroxychol-5-en-24-oic acid, 3-O-(?-L-Rhamnopyranosyl-?-D-glucuronopyranoside), Me ester C37H58O13 710.387741 NA MeJP NA NA +PJ020192 APKKMH C31H54N10O7S 710.3898 NA PeJP NA NA +PJ020193 DKHRR C28H50N14O8 710.3936 NA PeJP NA NA +PJ020194 ATTKKY C32H54N8O10 710.3963 NA PeJP NA NA +PJ020195 PPRRW C33H50N12O6 710.3977 NA PeJP NA NA +PJ020196 GVLLFY C37H54N6O8 710.4003 NA PeJP NA NA +MJ091520 Melianin A; 24?-Hydroxy C41H58O10 710.402998 NA MeJP NA NA +MJ091521 10,10'-Bis(N-acetyl-11,12-dihydroxyaspidospermidine) C42H54N4O6 710.404335 NA MeJP NA NA +PJ020197 SHRRR C27H50N16O7 710.4049 NA PeJP NA NA +PJ020198 SVLQKH C31H54N10O9 710.4075 NA PeJP NA NA +PJ020199 PPVDKR C31H54N10O9 710.4076 NA PeJP NA NA +MJ091522 Antibiotic L 156373, 1-(N-Hydroxy-L-leucine), 6-L-valine analogue C36H54N8O7 710.411546 NA MeJP NA NA +PJ020200 APPLKW C36H54N8O7 710.4116 NA PeJP NA NA +PJ020201 VVLLMH C33H58N8O7S 710.415 NA PeJP NA NA +PJ020202 SPPVRR C30H54N12O8 710.4188 NA PeJP NA NA +PJ020203 LKKHW C35H54N10O6 710.4228 NA PeJP NA NA +MJ091523 16,23-Epoxycycloartane-1,3,15,16,24,25-hexol, 25-Me ether, 3-O-?-D-xylopyranoside, 24-Ac C38H62O12 710.424127 NA MeJP NA NA +MJ091524 16,23-Epoxycycloartane-3,15,16,24,25-pentol, 24-Ac, 3-O-?-D-galactopyranoside C38H62O12 710.424127 NA MeJP NA NA +MJ091525 16,23-Epoxycycloartane-3,7,15,16,24,25-hexol, 25-Me ether, 3-O-?-D-xylopyranoside, 24-Ac C38H62O12 710.424127 NA MeJP NA NA +MJ091526 2,3,16,20,25-Pentahydroxycucurbita-5,23-dien-22-one, 23,24-Dihydro, 25-Ac, 2-O-?-D-glucopyranoside C38H62O12 710.424127 NA MeJP NA NA +MJ091527 3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one, 25-Ac, 3-O-?-D-glucopyranoside C38H62O12 710.424127 NA MeJP NA NA +MJ091528 Spirostan-3-ol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside] C38H62O12 710.424127 NA MeJP NA NA +MJ091529 Spirostan-3-ol, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-glucopyranoside] C38H62O12 710.424127 NA MeJP NA NA +MJ091530 Spirostan-3-ol, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-D-glucopyranoside] C38H62O12 710.424127 NA MeJP NA NA +MJ091531 Spirostane-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside] C38H62O12 710.424127 NA MeJP NA NA +MJ091532 Evolidine C33H58N8O9 710.432675 NA MeJP NA NA +PJ020204 PPLKKE C33H58N8O9 710.4327 NA PeJP NA NA +PJ020205 PPTLKR C32H58N10O8 710.4439 NA PeJP NA NA +PJ020206 GGPVLLR C32H58N10O8 710.444 NA PeJP NA NA +PJ020207 GPLLRR C31H58N12O7 710.4552 NA PeJP NA NA +MJ091533 Abierixin; ?3-Isomer, O-de-Me C39H66O11 710.460512 NA MeJP NA NA +PJ020208 PLLLQK C34H62N8O8 710.4691 NA PeJP NA NA +PJ020209 PVVLKR C33H62N10O7 710.4803 NA PeJP NA NA +MJ091534 [[4-[[2-[[Bis(cyclohexylamino)methylene]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]phenyl]methyl]tributylphosphonium(1+) C45H68N4OP(+) 710.505249 NA MeJP NA NA +PJ020210 PLLLKK C35H66N8O7 710.5055 NA PeJP NA NA +EUR1086 SM(d18:1/18:3) [M-H-CH3]- C41H77N2O6P 710.536276 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1086 SM(d18:1/18:3) [M-H-CH3]- C41H77N2O6P 710.536276 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1086 SM(d18:1/18:3) [M-H-CH3]- C41H77N2O6P 710.536276 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1086 SM(d18:1/18:3) [M-H-CH3]- C41H77N2O6P 710.536276 masses lipides attendues Inhousejuil11 NA NA +MJ091535 Iristectorene A; Deacyl, 3-O-(11Z-hexadecenoyl) C46H78O5 710.584925 NA MeJP NA NA +MJ091536 Iomorinic acid C17H20I3N3O4 710.858786 NA MeJP NA NA +7000 synthetic peptide from alpha-gliadin VRFPVPQLQPQN 710.88095 MH2+ Inhouse_peptide NA peptide +C13722 Adenophostin B C18H28N5O19P3 711.0591 NA KEGG NA NA +C13723 Dextran sulfate C18H28N5O19P3 711.0591 NA KEGG NA NA +C13724 Polyvinyl sulfate C18H28N5O19P3 711.0591 NA KEGG NA NA +MJ091537 2'-Adenylic acid; 3'-O-(6-O-Acetyl-3,4-di-O-phosphono-?-D-glucopyranoside) C18H28N5O19P3 711.059133 NA MeJP NA NA +FL7AACGL0040 Cyanidin 3-(4''-malonyl-2''-glucuronosylglucoside) C30H31O20 711.14086 138886-96-1 knapsack NA NA +FL7AACGL0041 Cyanidin 3-(6''-malonyl-2''-glucuronosylglucoside) C30H31O20 711.14086 - knapsack NA NA +C16373 Cyanidin-3-O-(6''-O-malonyl-2''-O-glucuronyl)glucoside C30H31O20 711.1409 NA KEGG NA NA +PJ020211 GSCCCCH C23H37N9O9S4 711.1597 NA PeJP NA NA +PJ020212 GPCCCDD C24H37N7O12S3 711.1663 NA PeJP NA NA +FL7AACGL0046 Succinylcyanin C31H35O19 711.17725 89148-78-7 knapsack NA NA +FL7AADGL0018 Peonidin 3-(6'-malonylglucoside)-5-glucoside C31H35O19 711.17725 651768-32-0 knapsack NA NA +FL7AAGGL0019 Delphinidin 3,5-di(6-acetylglucoside) C31H35O19 711.17725 133179-75-6 knapsack NA NA +PJ020213 CNDDDM C24H37N7O14S2 711.184 NA PeJP NA NA +PJ020214 SPPCCCC C25H41N7O9S4 711.1849 NA PeJP NA NA +PJ020215 GSCCNND C23H37N9O13S2 711.1953 NA PeJP NA NA +PJ020216 GCCDEW C28H37N7O11S2 711.1993 NA PeJP NA NA +PJ020217 GSSCDDE C24H37N7O16S 711.2018 NA PeJP NA NA +PJ020218 GSPCCDM C25H41N7O11S3 711.2026 NA PeJP NA NA +MJ091538 Dactylocycline B C31H38ClN3O14 711.20423 NA MeJP NA NA +FL7AAAGL0009 Pelargonidin 3-(2G-xylosylrutinoside) C32H39O18 711.21363 - knapsack NA NA +PJ020219 CCNNQM C24H41N9O10S3 711.2139 NA PeJP NA NA +PJ020220 CCDWW C32H37N7O8S2 711.2145 NA PeJP NA NA +PJ020221 SSCDDW C28H37N7O13S 711.217 NA PeJP NA NA +PJ020222 PTCCCW C29H41N7O8S3 711.2179 NA PeJP NA NA +PJ020223 SSSSDDD C24H37N7O18 711.2195 NA PeJP NA NA +PJ020224 SNDDMM C25H41N7O13S2 711.2204 NA PeJP NA NA +PJ020225 PCCQMM C26H45N7O8S4 711.2213 NA PeJP NA NA +PJ020226 CCCNNR C23H41N11O9S3 711.2251 NA PeJP NA NA +PJ020227 SCCDER C24H41N9O12S2 711.2316 NA PeJP NA NA +PJ020228 GGGGGSSCM C24H41N9O12S2 711.2317 NA PeJP NA NA +PJ020229 PCCCMR C25H45N9O7S4 711.2325 NA PeJP NA NA +PJ020230 GNDDEY C28H37N7O15 711.2348 NA PeJP NA NA +PJ020231 GSCEMW C29H41N7O10S2 711.2357 NA PeJP NA NA +PJ020232 GSSSDEM C25H41N7O15S 711.2382 NA PeJP NA NA +PJ020233 GNEMMM C26H45N7O10S3 711.239 NA PeJP NA NA +PJ020234 SCNDHH C26H37N11O11S 711.2395 NA PeJP NA NA +PJ020235 PNDDDH C27H37N9O14 711.246 NA PeJP NA NA +PJ020236 SSSSCNQ C24H41N9O14S 711.2494 NA PeJP NA NA +PJ020237 NDDYW C32H37N7O12 711.25 NA PeJP NA NA +PJ020238 GGDDYW C32H37N7O12 711.2501 NA PeJP NA NA +PJ020239 GCDMMR C25H45N9O9S3 711.2503 NA PeJP NA NA +PJ020240 SCMWW C33H41N7O7S2 711.2509 NA PeJP NA NA +MJ091539 1,2,3,4,6,9,14-Heptahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 6-benzoyl, 1,2,3,14-tetra-Ac C36H41NO14 711.252705 NA MeJP NA NA +MJ091540 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 9-benzoyl, 1,2,6,14-tetra-Ac C36H41NO14 711.252705 NA MeJP NA NA +MJ091541 Alangiside; 2'-(4-Hydroxy-3,5-dimethoxycinnamoyl)(E-) C36H41NO14 711.252705 NA MeJP NA NA +MJ091542 Alangiside; O-De-Me, O2-Me, 2'-(4-hydroxy-3,5-dimethylcinnamoyl)(E-) C36H41NO14 711.252705 NA MeJP NA NA +PJ020241 SSSDMW C29H41N7O12S 711.2534 NA PeJP NA NA +PJ020242 NMMMW C30H45N7O7S3 711.2543 NA PeJP NA NA +PJ020243 SSSSSEE C25H41N7O17 711.2559 NA PeJP NA NA +PJ020244 SSQEMM C26H45N7O12S2 711.2568 NA PeJP NA NA +PJ020245 TCYYY C34H41N5O10S 711.2574 NA PeJP NA NA +PJ020246 PCCKMM C27H49N7O7S4 711.2577 NA PeJP NA NA +PJ020247 GCQMHH C27H41N11O8S2 711.2581 NA PeJP NA NA +PJ020248 GNNNMY C28H41N9O11S 711.2646 NA PeJP NA NA +PJ020249 GGGNNMY C28H41N9O11S 711.2647 NA PeJP NA NA +PJ020250 GSSSSSSN C24H41N9O16 711.2671 NA PeJP NA NA +PJ020251 GGGSSSSSS C24H41N9O16 711.2672 NA PeJP NA NA +PJ020252 SSCEMR C25H45N9O11S2 711.268 NA PeJP NA NA +PJ020253 GSPCYW C33H41N7O9S 711.2687 NA PeJP NA NA +PJ020254 GCCHHR C26H41N13O7S2 711.2694 NA PeJP NA NA +PJ020255 GSQEEY C29H41N7O14 711.2712 NA PeJP NA NA +PJ020256 GSTMMW C30H45N7O9S2 711.272 NA PeJP NA NA +PJ020257 PCCDKF C30H45N7O9S2 711.2721 NA PeJP NA NA +PJ020258 GSSTTEM C26H45N7O14S 711.2745 NA PeJP NA NA +PJ020259 GDKMMM C27H49N7O9S3 711.2754 NA PeJP NA NA +PJ020260 SSNMHH C27H41N11O10S 711.2759 NA PeJP NA NA +PJ020261 GSDDRY C28H41N9O13 711.2824 NA PeJP NA NA +PJ020262 APCCRY C29H45N9O8S2 711.2833 NA PeJP NA NA +PJ020263 ACFWW C37H41N7O6S 711.2839 NA PeJP NA NA +PJ020264 SSSSCNK C25H45N9O13S 711.2858 NA PeJP NA NA +PJ020265 SQEYW C33H41N7O11 711.2864 NA PeJP NA NA +PJ020266 GSMMMR C26H49N9O8S3 711.2867 NA PeJP NA NA +PJ020267 MMHFF C34H45N7O6S2 711.2873 NA PeJP NA NA +MJ091543 Rifamycin R C37H45NO13 711.28909 NA MeJP NA NA +MJ091544 Rifamycin S; 3-Hydroxy C37H45NO13 711.28909 NA MeJP NA NA +PJ020268 SSTTMW C30H45N7O11S 711.2898 NA PeJP NA NA +PJ020269 GFYYY C38H41N5O9 711.2904 NA PeJP NA NA +MJ091545 Talaporfin C38H41N5O9 711.290427 NA MeJP NA NA +PJ020270 SSSTTTE C26H45N7O16 711.2923 NA PeJP NA NA +PJ020271 SSKEMM C27H49N7O11S2 711.2932 NA PeJP NA NA +PJ020272 GSSSTHH C27H41N11O12 711.2936 NA PeJP NA NA +PJ020273 GGGQQEH C27H41N11O12 711.2937 NA PeJP NA NA +PJ020274 PPCCHR C28H45N11O7S2 711.2945 NA PeJP NA NA +MJ091546 Pacidamycin D C32H41N9O10 711.297638 NA MeJP NA NA +PJ020275 GSPEHW C32H41N9O10 711.2977 NA PeJP NA NA +PJ020276 NEMRY C29H45N9O10S 711.301 NA PeJP NA NA +PJ020277 GGGGACKY C29H45N9O10S 711.3011 NA PeJP NA NA +PJ020278 GTYWW C37H41N7O8 711.3017 NA PeJP NA NA +PJ020279 SSTMMR C26H49N9O10S2 711.3044 NA PeJP NA NA +PJ020280 GNNDHR C26H41N13O11 711.3049 NA PeJP NA NA +PJ020281 VNMYW C34H45N7O8S 711.305 NA PeJP NA NA +PJ020282 GGVMYW C34H45N7O8S 711.3051 NA PeJP NA NA +PJ020283 ATTQEY C30H45N7O13 711.3075 NA PeJP NA NA +PJ020284 GSKEEY C30H45N7O13 711.3076 NA PeJP NA NA +PJ020285 APCKMY C31H49N7O8S2 711.3084 NA PeJP NA NA +PJ020286 NQQHW C31H41N11O9 711.3089 NA PeJP NA NA +PJ020287 SSSSTLM C27H49N7O13S 711.3109 NA PeJP NA NA +PJ020288 ATKMMM C28H53N7O8S3 711.3118 NA PeJP NA NA +PJ020289 CDRRY C28H45N11O9S 711.3123 NA PeJP NA NA +PJ020290 SPHWW C36H41N9O7 711.3129 NA PeJP NA NA +PJ020291 GMRYW C33H45N9O7S 711.3163 NA PeJP NA NA +PJ020292 GSTERY C29H45N9O12 711.3188 NA PeJP NA NA +PJ020293 QMMFR C30H49N9O7S2 711.3197 NA PeJP NA NA +PJ020294 GPQHHH C30H41N13O8 711.3201 NA PeJP NA NA +PJ020295 GGAPHHH C30H41N13O8 711.3202 NA PeJP NA NA +PJ020296 SKEYW C34H45N7O10 711.3228 NA PeJP NA NA +PJ020297 CCCKKK C27H53N9O7S3 711.323 NA PeJP NA NA +PJ020298 AAKEMY C31H49N7O10S 711.3262 NA PeJP NA NA +PJ020299 STTTTTT C27H49N7O15 711.3287 NA PeJP NA NA +PJ020300 TTTKMM C28H53N7O10S2 711.3296 NA PeJP NA NA +PJ020301 AAEEHR C28H45N11O11 711.33 NA PeJP NA NA +PJ020302 GGGGPPDR C28H45N11O11 711.3301 NA PeJP NA NA +C08089 Indinavir sulfate C36H47N5O4 711.3302 NA KEGG NA NA +PJ020303 CMFRR C29H49N11O6S2 711.3309 NA PeJP NA NA +PJ020304 STRYW C33H45N9O9 711.334 NA PeJP NA NA +PJ020305 GALEHW C33H45N9O9 711.3341 NA PeJP NA NA +PJ020306 DKMRY C30H49N9O9S 711.3374 NA PeJP NA NA +7006 synthetic peptide from alpha-gliadin FPPQQPYPQPQP 711.3375 MH2+ Inhouse_peptide NA peptide +MJ091547 Scleramide C38H45N7O7 711.338046 NA MeJP NA NA +PJ020307 VNFFW C38H45N7O7 711.3381 NA PeJP NA NA +PJ020308 DEHRR C27H45N13O10 711.3413 NA PeJP NA NA +PJ020309 CLKYW C35H49N7O7S 711.3414 NA PeJP NA NA +PJ020310 PPPCLW C35H49N7O7S 711.3415 NA PeJP NA NA +PJ020311 ATTKEY C31H49N7O12 711.3439 NA PeJP NA NA +PJ020312 GAPPLEE C31H49N7O12 711.344 NA PeJP NA NA +PJ020313 GVKMMF C32H53N7O7S2 711.3448 NA PeJP NA NA +PJ020314 VDHRW C32H45N11O8 711.3453 NA PeJP NA NA +MJ091548 Antibiotic PA 166 C35H53NO14 711.346605 NA MeJP NA NA +MJ091549 Tetramycin A; 4-Hydroxy C35H53NO14 711.346605 NA MeJP NA NA +PJ020315 SMRRY C29H49N11O8S 711.3486 NA PeJP NA NA +PJ020316 APTMHR C29H49N11O8S 711.3487 NA PeJP NA NA +PJ020317 ALHWW C37H45N9O6 711.3493 NA PeJP NA NA +PJ020318 SSSLRY C30H49N9O11 711.3552 NA PeJP NA NA +PJ020319 KMMFR C31H53N9O6S2 711.3561 NA PeJP NA NA +PJ020320 GPKHHH C31H45N13O7 711.3565 NA PeJP NA NA +2878 opioid fragment of beta-lipotropin L-enkephalin-R YGGFLR 711.358 antibacterial Inhouse_peptide NA peptide +PJ020321 APPLEW C35H49N7O9 711.3592 NA PeJP NA NA +MJ091550 4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 5-(3-Dimethylamino-3-phenylpropanoyl)(R-), 2,9,10,13-tetra-Ac C39H53NO11 711.361861 NA MeJP NA NA +MJ091551 4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 5-(3-Dimethylamino-3-phenylpropanoyl), 7,9,10,13-tetra-Ac C39H53NO11 711.361861 NA MeJP NA NA +MJ091552 4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-(2-Acetoxy-3-dimethylamino-3-phenylpropanoyl), 9,10,13-tri-Ac C39H53NO11 711.361861 NA MeJP NA NA +MJ091553 4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-(3-Dimethylamino-2-hydroxy-3-phenylpropanoyl), 7,9,10,13-tetra-Ac C39H53NO11 711.361861 NA MeJP NA NA +PJ020322 GTLKMY C32H53N7O9S 711.3626 NA PeJP NA NA +PJ020323 GTLEHR C29H49N11O10 711.3664 NA PeJP NA NA +PJ020324 LKEHW C34H49N9O8 711.3704 NA PeJP NA NA +PJ020325 GGPVVHF C34H49N9O8 711.3705 NA PeJP NA NA +MJ091554 Monamycins; Monamycin G1 C33H54ClN7O8 711.372239 NA MeJP NA NA +MJ091555 Monamycins; Monamycin G2 C33H54ClN7O8 711.372239 NA MeJP NA NA +MJ091556 Monamycins; Monamycin G3 C33H54ClN7O8 711.372239 NA MeJP NA NA +PJ020326 SPLKMH C31H53N9O8S 711.3738 NA PeJP NA NA +PJ020327 ASNKHR C28H49N13O9 711.3776 NA PeJP NA NA +PJ020328 GSQKHR C28H49N13O9 711.3777 NA PeJP NA NA +PJ020329 STTLKY C32H53N7O11 711.3803 NA PeJP NA NA +PJ020330 TLHRW C33H49N11O7 711.3817 NA PeJP NA NA +7015 synthetic peptide from alpha-gliadin QQPISQQILQQI 711.384 MH2+ Inhouse_peptide NA peptide +PJ020331 ACLLHR C30H53N11O7S 711.385 NA PeJP NA NA +PJ020332 GVLMHR C30H53N11O7S 711.3851 NA PeJP NA NA +PJ020333 PPTLER C31H53N9O10 711.3916 NA PeJP NA NA +PJ020334 PHFRR C32H49N13O6 711.3929 NA PeJP NA NA +PJ020335 SPPLLW C36H53N7O8 711.3956 NA PeJP NA NA +PJ020336 LMHRR C29H53N13O6S 711.3963 NA PeJP NA NA +PJ020337 AAPPLLM C33H57N7O8S 711.399 NA PeJP NA NA +PJ020338 SSLLHR C30H53N11O9 711.4028 NA PeJP NA NA +PJ020339 GPPKKW C35H53N9O7 711.4068 NA PeJP NA NA +PJ020340 PPVLMR C32H57N9O7S 711.4102 NA PeJP NA NA +PJ020341 GPVQRR C29H53N13O8 711.414 NA PeJP NA NA +PJ020342 GGGPLRR C29H53N13O8 711.4141 NA PeJP NA NA +PJ020343 PLLLQE C33H57N7O10 711.4167 NA PeJP NA NA +MJ091557 Antibiotic A 6888X; 20-Aldehyde C37H61NO12 711.419376 NA MeJP NA NA +MJ091558 Mycinamycin II; 14-Deoxy C37H61NO12 711.419376 NA MeJP NA NA +MJ091559 Mycinamycin VI; 14?-Hydroxy, 2'',3''-di-Me ether C37H61NO12 711.419376 NA MeJP NA NA +PJ020344 PQRRR C28H53N15O7 711.4253 NA PeJP NA NA +PJ020345 PVVLER C32H57N9O9 711.428 NA PeJP NA NA +PJ020346 APLLLW C37H57N7O7 711.432 NA PeJP NA NA +MJ091560 Lipid X C34H66NO12P 711.432263 NA MeJP NA NA +MJ091561 2,3-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate C34H66NO12P 711.432263 NA MeJP NA NA +MetaCyc04069 2,3-bis(3-hydroxymyristoyl)-β-D-glucosaminyl 1-phosphate [2,3-diacyl-glucosamine 1-phosphate;2,3-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl 1-phosphate;2,3-bis(β-hydroxymyristoyl)-β-D-glucosaminyl 1-phosphate;lipid X;] C34H66N1O12P1 711.432263 NA metacyc NA NA +MetaCyc04070 3-hydroxyacyl group of bacterial toxin [] C34H66N1O12P1 711.432263 NA metacyc NA NA +C04824 2,3-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate C34H66NO12P 711.4323 NA KEGG NA NA +C04825 3-beta-D-Galactosyl-4-beta-D-galactosyl-O-beta-D-xylosylprotein C21H34N2O17R2 711.4323 NA KEGG NA NA +C04827 Apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)] C7H13N3O2R2 711.4323 NA KEGG NA NA +C04829 Deacetyl-[citrate-oxaloacetate-lyase((pro-3S)-CH2COO-->acetate)] C7H13N3O2R2 711.4323 NA KEGG NA NA +3895 temporin H LSPVIGNLLKSLLG 711.43345 MH2+ Inhouse_peptide NA peptide +3897 temporin K LLPVIGNLLKSSLG 711.43345 MH2+ Inhouse_peptide NA peptide +PJ020347 SPPKKR C31H57N11O8 711.4392 NA PeJP NA NA +PJ020348 GPVKRR C30H57N13O7 711.4504 NA PeJP NA NA +PJ020349 PLLLKE C34H61N7O9 711.4531 NA PeJP NA NA +MJ091562 Antibiotic YT 3927; 20-Deoxo C38H65NO11 711.455761 NA MeJP NA NA +PJ020350 PKRRR C29H57N15O6 711.4617 NA PeJP NA NA +PJ020351 PTLLLR C33H61N9O8 711.4643 NA PeJP NA NA +PJ020352 GGPLLKK C33H61N9O8 711.4644 NA PeJP NA NA +MJ091563 Spirolide E; 2,3-Dihydro C42H65NO8 711.471018 NA MeJP NA NA +PJ020353 APLKKR C32H61N11O7 711.4756 NA PeJP NA NA +HMDB08838 PE(14:0/20:4(5Z,8Z,11Z,14Z)) C39H70NO8P 711.483887 NA HMDB2010 NA NA +HMDB08839 PE(14:0/20:4(8Z,11Z,14Z,17Z)) C39H70NO8P 711.483887 NA HMDB2010 NA NA +HMDB08869 PE(14:1(9Z)/20:3(5Z,8Z,11Z)) C39H70NO8P 711.483887 NA HMDB2010 NA NA +HMDB08870 PE(14:1(9Z)/20:3(8Z,11Z,14Z)) C39H70NO8P 711.483887 NA HMDB2010 NA NA +HMDB08931 PE(16:0/18:4(6Z,9Z,12Z,15Z)) C39H70NO8P 711.483887 NA HMDB2010 NA NA +HMDB08962 PE(16:1(9Z)/18:3(6Z,9Z,12Z)) C39H70NO8P 711.483887 NA HMDB2010 NA NA +HMDB08963 PE(16:1(9Z)/18:3(9Z,12Z,15Z)) C39H70NO8P 711.483887 NA HMDB2010 NA NA +HMDB09122 PE(18:3(6Z,9Z,12Z)/16:1(9Z)) C39H70NO8P 711.483887 NA HMDB2010 NA NA +HMDB09155 PE(18:3(9Z,12Z,15Z)/16:1(9Z)) C39H70NO8P 711.483887 NA HMDB2010 NA NA +HMDB09187 PE(18:4(6Z,9Z,12Z,15Z)/16:0) C39H70NO8P 711.483887 NA HMDB2010 NA NA +HMDB09317 PE(20:3(5Z,8Z,11Z)/14:1(9Z)) C39H70NO8P 711.483887 NA HMDB2010 NA NA +HMDB09350 PE(20:3(8Z,11Z,14Z)/14:1(9Z)) C39H70NO8P 711.483887 NA HMDB2010 NA NA +HMDB09382 PE(20:4(5Z,8Z,11Z,14Z)/14:0) C39H70NO8P 711.483887 NA HMDB2010 NA NA +HMDB09415 PE(20:4(8Z,11Z,14Z,17Z)/14:0) C39H70NO8P 711.483887 NA HMDB2010 NA NA +PJ020354 LLLLLQ C35H65N7O8 711.4895 NA PeJP NA NA +PJ020355 VVLLLR C34H65N9O7 711.5007 NA PeJP NA NA +PJ020356 LLLLLK C36H69N7O7 711.5259 NA PeJP NA NA +EUR1060 SM(d18:1/15:0) [M+Na]+ C38H78N2O6P 711.541697 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1060 SM(d18:1/15:0) [M+Na]+ C38H78N2O6P 711.541697 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1060 SM(d18:1/15:0) [M+Na]+ C38H78N2O6P 711.541697 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1060 SM(d18:1/15:0) [M+Na]+ C38H78N2O6P 711.541697 masses lipides attendues Inhousejuil11 NA NA +MJ091564 2-Amino-9-methyl-4,8-octadecadiene-1,3-diol, N-Hexadecanoyl, 1-O-?-D-glucopyranoside C41H77NO8 711.564918 NA MeJP NA NA +MJ091565 2-Amino-1,3,4-octadecanetriol, N-(2R-Hydroxyhexacosanoyl) C44H89NO5 711.674074 NA MeJP NA NA +MJ091566 Cadiolide A C24H12Br4O6 711.736738 NA MeJP NA NA +MJ091567 Melinacidin III C30H28N6O7S4 712.09023 NA MeJP NA NA +MJ091568 Verticillin B C30H28N6O7S4 712.09023 NA MeJP NA NA +MJ091569 3-Glucosyl-2,4,4',6-tetrahydroxybenzophenone; 2'',6''-Di-O-galloyl C33H28O18 712.127564 NA MeJP NA NA +FL5FACGS0111 Quercetin 3-(6''-malonylglucoside)-7-glucoside;3-[[6-O-(Carboxyacetyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one C30H32O20 712.14869 194093-39-5 knapsack NA NA +MJ091570 Isoquercitrin; O''-Malonyl, 4'-O-?-D-glucopyranoside C30H32O20 712.148693 NA MeJP NA NA +MJ091571 Quercimeritrin; 3-O-(6-O-Malonyl-?-D-glucopyranoside) C30H32O20 712.148693 NA MeJP NA NA +MJ091572 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-malonyl-?-D-glucopyranoside) C30H33O20(+) 712.148693 NA MeJP NA NA +PJ020357 CDDDDM C24H36N6O15S2 712.168 NA PeJP NA NA +PJ020358 GSCCNDD C23H36N8O14S2 712.1793 NA PeJP NA NA +PJ020359 GPCCCCQ C24H40N8O9S4 712.1801 NA PeJP NA NA +PJ020360 GGAPCCCC C24H40N8O9S4 712.1802 NA PeJP NA NA +FL5FAAGL0020 Primflasine C31H36O19 712.18507 36138-74-6 knapsack NA NA +FL5FAIGA0002 Syringetin 3-(6'''-acetylglucosyl)(1->3)-galactoside;Myricetin 3',5'-dimethyl ether 3-(6''-acetylglucosyl)-(1->3)-galactoside;3-[[3-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one C31H36O19 712.18507 139955-74-1 knapsack NA NA +FL5FAIGA0004 Syringetin 3-(,6'''-acetylglucosyl)(1->6)-galactoside C31H36O19 712.18507 - knapsack NA NA +MJ091573 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] C31H36O19 712.185078 NA MeJP NA NA +MJ091574 3,4',5,7-Tetrahydroxyflavone; 3-O-(Xylosylglucoside), 7-O-xyloside C31H36O19 712.185078 NA MeJP NA NA +MJ091575 Blepharismins; Blepharismin 5 C42H32O11 712.194461 NA MeJP NA NA +MJ091576 Gnetuhainin M C42H32O11 712.194461 NA MeJP NA NA +C08541 Bougainvillein-r-I C30H36N2O18 712.1963 NA KEGG NA NA +MJ091577 Betanidin; 15-Epimer, 5-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C30H36N2O18 712.196312 NA MeJP NA NA +MJ091578 Betanidin; 5-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C30H36N2O18 712.196312 NA MeJP NA NA +MJ091579 Betanidin; 6-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C30H36N2O18 712.196312 NA MeJP NA NA +PJ020361 CCNNEM C24H40N8O11S3 712.1979 NA PeJP NA NA +PJ020362 SDDDMM C25H40N6O14S2 712.2044 NA PeJP NA NA +PJ020363 PCCEMM C26H44N6O9S4 712.2053 NA PeJP NA NA +PJ020364 CCCNDR C23H40N10O10S3 712.2091 NA PeJP NA NA +PJ020365 GCCNMW C28H40N8O8S3 712.2132 NA PeJP NA NA +PJ020366 GSSCCQE C24H40N8O13S2 712.2156 NA PeJP NA NA +PJ020367 GSSCNDM C24H40N8O13S2 712.2157 NA PeJP NA NA +PJ020368 GPCCCCK C25H44N8O8S4 712.2165 NA PeJP NA NA +PJ020369 GDDDEY C28H36N6O16 712.2188 NA PeJP NA NA +PJ020370 PCCDEF C29H40N6O11S2 712.2197 NA PeJP NA NA +FL1C1AGS0008 Isoliquiritigenin 4'-O-glucoside 4-O-apiofuranosyl-(1'''->2''')-glucoside;4,2',4'-Trihydroxychalcone 4'-O-glucoside 4-O-apiofuranosyl-(1'''->2''')-glucoside C32H40O18 712.22146 217483-71-1 knapsack NA NA +FL2F1AGS0007 Liquiritigenin 7-glucoside-4'-apiosyl-(1->2)-glucoside;7,4'-Dihydroxyflavanone 7-glucoside-4'-apiosyl-(1->2)-glucoside C32H40O18 712.22146 157226-47-6 knapsack NA NA +MJ091580 2',4,4'-Trihydroxychalcone; 4-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside C32H40O18 712.221464 NA MeJP NA NA +MJ091581 4',7-Dihydroxyflavanone, 4'-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside], 7-O-?-D-glucopyranoside C32H40O18 712.221464 NA MeJP NA NA +MJ091582 4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Ph glycoside, hepta-Ac C32H40O18 712.221464 NA MeJP NA NA +MJ091583 ?-D-Fructofuranosyl ?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside; 3',4-Dibenzoyl C32H40O18 712.221464 NA MeJP NA NA +PJ020371 GDEMMM C26H44N6O11S3 712.223 NA PeJP NA NA +PJ020372 VCDDMM C26H44N6O11S3 712.2231 NA PeJP NA NA +PJ020373 SCDDHH C26H36N10O12S 712.2235 NA PeJP NA NA +PJ020374 PDDDDH C27H36N8O15 712.2301 NA PeJP NA NA +PJ020375 SSCCQW C28H40N8O10S2 712.2309 NA PeJP NA NA +PJ020376 SSSSCNE C24H40N8O15S 712.2334 NA PeJP NA NA +PJ020377 DDDYW C32H36N6O13 712.2341 NA PeJP NA NA +PJ020378 SCNQMM C25H44N8O10S3 712.2343 NA PeJP NA NA +PJ020379 SPCDEY C29H40N6O13S 712.2374 NA PeJP NA NA +PJ020380 DMMMW C30H44N6O8S3 712.2383 NA PeJP NA NA +PJ020381 SSEEMM C26H44N6O13S2 712.2408 NA PeJP NA NA +PJ020382 PTCMMM C27H48N6O8S4 712.2417 NA PeJP NA NA +PJ020383 ACDMHH C27H40N10O9S2 712.2421 NA PeJP NA NA +PJ020384 GCEMHH C27H40N10O9S2 712.2422 NA PeJP NA NA +PJ020385 SCCNMR C24H44N10O9S3 712.2455 NA PeJP NA NA +PJ020386 GCCHFF C32H40N8O7S2 712.2462 NA PeJP NA NA +PJ020387 GSSSSCW C28H40N8O12S 712.2487 NA PeJP NA NA +PJ020388 ACCCKW C29H44N8O7S3 712.2495 NA PeJP NA NA +PJ020389 GSSSSSSD C24H40N8O17 712.2512 NA PeJP NA NA +MJ091584 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 9'-O-(4-hydroxy-3-methoxycinnamoyl)(E-), 9-O-(4-hydroxy-3-methoxycinnamoyl)(Z-) C40H40O12 712.251976 NA MeJP NA NA +MJ091585 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 9'-O-(4-hydroxy-3-methoxycinnamoyl)(Z-), 9-O-(4-hydroxy-3-methoxycinnamoyl)(E-) C40H40O12 712.251976 NA MeJP NA NA +MJ091586 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 9,9'-bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,E-) C40H40O12 712.251976 NA MeJP NA NA +MJ091587 Sanggenone G; 14,15-Dihydro, 15-hydroxy C40H40O12 712.251976 NA MeJP NA NA +PJ020390 GSSSNMM C25H44N8O12S2 712.252 NA PeJP NA NA +PJ020391 DDMFW C33H40N6O10S 712.2527 NA PeJP NA NA +PJ020392 GSEEEY C29H40N6O15 712.2552 NA PeJP NA NA +PJ020393 GPDMMY C30H44N6O10S2 712.2561 NA PeJP NA NA +PJ020394 CMHHW C31H40N10O6S2 712.2574 NA PeJP NA NA +MJ091588 2-Hydroxy-2-isopropylbutanedioic acid, Bis(4-?-D-Glucopyranosyloxybenzyl) ester C33H44O17 712.257849 NA MeJP NA NA +MJ091589 Medioresinol, Di-O-?-D-glucopyranoside C33H44O17 712.257849 NA MeJP NA NA +MJ091590 Syringaresinol, 4-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C33H44O17 712.257849 NA MeJP NA NA +MJ091591 Syringaresinol, 7-Epimer, 4'-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C33H44O17 712.257849 NA MeJP NA NA +PJ020395 ATEMMM C27H48N6O10S3 712.2594 NA PeJP NA NA +PJ020396 SSDMHH C27H40N10O11S 712.2599 NA PeJP NA NA +MJ091592 Ibisterol; Tri-O-sulfate C31H52O12S3 712.262089 NA MeJP NA NA +PJ020397 GSSTCCR C24H44N10O11S2 712.2633 NA PeJP NA NA +PJ020398 CNQYW C32H40N8O9S 712.2639 NA PeJP NA NA +PJ020399 SSNNEY C28H40N8O14 712.2664 NA PeJP NA NA +PJ020400 SSCCKW C29H44N8O9S2 712.2673 NA PeJP NA NA +PJ020401 SSSSSQM C25H44N8O14S 712.2698 NA PeJP NA NA +PJ020402 SEEYW C33H40N6O12 712.2704 NA PeJP NA NA +PJ020403 GPDDFY C33H40N6O12 712.2705 NA PeJP NA NA +PJ020404 SCNKMM C26H48N8O9S3 712.2707 NA PeJP NA NA +PJ020405 PPCCFF C34H44N6O7S2 712.2713 NA PeJP NA NA +C12409 124-1 C37H44O14 712.2731 NA KEGG NA NA +MJ091593 12,17-Epoxy-2,5,7,9,10,11,19-heptahydroxy-4(20)-taxen-13-one, 5-Cinnamoyl, 2,7,9,10-tetra-Ac C37H44O14 712.273106 NA MeJP NA NA +MJ091594 12,17-Epoxy-2,5,7,9,10,11,19-heptahydroxy-4(20)-taxen-13-one, 5-Cinnamoyl, 2,7,9,19-tetra-Ac C37H44O14 712.273106 NA MeJP NA NA +MJ091595 2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 2-Benzoyl, 3,5,7,8,15-penta-Ac C37H44O14 712.273106 NA MeJP NA NA +MJ091596 2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 7-Benzoyl, 2,3,5,8,15-penta-Ac C37H44O14 712.273106 NA MeJP NA NA +MJ091597 2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 8-Benzoyl, 2,3,5,7,15-penta-Ac C37H44O14 712.273106 NA MeJP NA NA +MJ091598 Antibiotic BA 12100MY1; 6-Deoxy, 5-hydroxy, 3'-O-[2,6-dideoxy-?-L-arabino-hexopyranosyl-(1?4)-2,3,6-trideoxy-?-D-threo-hexopyranosyl] C37H44O14 712.273106 NA MeJP NA NA +MJ091599 Antibiotic PI 080; 3-O-Deglycosyl, 2c,3c-dihydro C37H44O14 712.273106 NA MeJP NA NA +MJ091600 Landomycin A; 4C-Deglycosyl C37H44O14 712.273106 NA MeJP NA NA +MJ091601 Leptolepisol E C37H44O14 712.273106 NA MeJP NA NA +PJ020406 AAEEMY C30H44N6O12S 712.2738 NA PeJP NA NA +PJ020407 GPMMMF C31H48N6O7S3 712.2747 NA PeJP NA NA +PJ020408 GPCNHW C31H40N10O8S 712.2752 NA PeJP NA NA +PJ020409 TTTEMM C27H48N6O12S2 712.2772 NA PeJP NA NA +PJ020410 GNQEEH C27H40N10O13 712.2777 NA PeJP NA NA +PJ020411 GLMMMM C28H52N6O7S4 712.2781 NA PeJP NA NA +PJ020412 GCCQFR C28H44N10O8S2 712.2785 NA PeJP NA NA +PJ020413 SSSSSCR C24H44N10O13S 712.281 NA PeJP NA NA +PJ020414 GSSNYW C32H40N8O11 712.2817 NA PeJP NA NA +PJ020415 TCCCKR C25H48N10O8S3 712.2819 NA PeJP NA NA +PJ020416 GSQQMY C29H44N8O11S 712.285 NA PeJP NA NA +PJ020417 DEMRY C29H44N8O11S 712.2851 NA PeJP NA NA +PJ020418 GSSSSSTT C25H44N8O16 712.2875 NA PeJP NA NA +PJ020419 GSSTCKM C26H48N8O11S2 712.2884 NA PeJP NA NA +PJ020420 GNDDHR C26H40N12O12 712.2889 NA PeJP NA NA +PJ020421 VDMYW C34H44N6O9S 712.2891 NA PeJP NA NA +PJ020422 ATTEEY C30H44N6O14 712.2916 NA PeJP NA NA +PJ020423 APTMMY C31H48N6O9S2 712.2924 NA PeJP NA NA +PJ020424 GVEMMF C31H48N6O9S2 712.2925 NA PeJP NA NA +PJ020425 NQEHW C31H40N10O10 712.2929 NA PeJP NA NA +MJ091602 3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5,5'-Tetra-Me ether, 4,4'-di-O-?-L-rhamnopyranoside C34H48O16 712.294235 NA MeJP NA NA +PJ020426 STLMMM C28H52N6O9S3 712.2958 NA PeJP NA NA +PJ020427 GSCQRY C28H44N10O10S 712.2963 NA PeJP NA NA +MJ091603 Talcamine C40H44N2O10 712.299595 NA MeJP NA NA +PJ020428 CNKYW C33H44N8O8S 712.3003 NA PeJP NA NA +PJ020429 SSNDKY C29H44N8O13 712.3028 NA PeJP NA NA +PJ020430 EMMFR C30H48N8O8S2 712.3037 NA PeJP NA NA +PJ020431 GPEHHH C30H40N12O9 712.3042 NA PeJP NA NA +PJ020432 SSSSSKM C26H48N8O13S 712.3062 NA PeJP NA NA +PJ020433 AAPEYY C34H44N6O11 712.3068 NA PeJP NA NA +PJ020434 TCCKKM C27H52N8O8S3 712.3071 NA PeJP NA NA +PJ020435 SPCNHR C27H44N12O9S 712.3075 NA PeJP NA NA +PJ020436 VMMFW C35H48N6O6S2 712.3077 NA PeJP NA NA +PJ020437 GQHWW C35H40N10O7 712.3082 NA PeJP NA NA +MJ091604 Delevoyin C C38H48O13 712.309491 NA MeJP NA NA +MJ091605 Hispidin B C38H48O13 712.309491 NA MeJP NA NA +MJ091606 Zaragozic acid C; O-De-Ac C38H48O13 712.309491 NA MeJP NA NA +PJ020438 GTLEMY C31H48N6O11S 712.3102 NA PeJP NA NA +PJ020439 AAMHHF C32H44N10O7S 712.3115 NA PeJP NA NA +PJ020440 GCLHHF C32H44N10O7S 712.3116 NA PeJP NA NA +PJ020441 SSSNRY C28H44N10O12 712.314 NA PeJP NA NA +PJ020442 GGPPDDR C28H44N10O12 712.3141 NA PeJP NA NA +PJ020443 GCCKFR C29H48N10O7S2 712.3149 NA PeJP NA NA +PJ020444 LEEHW C33H44N8O10 712.3181 NA PeJP NA NA +PJ020445 PHHHW C34H40N12O6 712.3194 NA PeJP NA NA +MJ091607 Potanisine C; 18-O-[2-(2,5-Dioxo-3-methyl-1-pyrrolidinyl)benzoyl] C37H48N2O12 712.320725 NA MeJP NA NA +PJ020446 GSQKMY C30H48N8O10S 712.3214 NA PeJP NA NA +PJ020447 GGGPPPTM C30H48N8O10S 712.3215 NA PeJP NA NA +PJ020448 PTFYW C38H44N6O8 712.3221 NA PeJP NA NA +PJ020449 GSQEHR C27H44N12O11 712.3253 NA PeJP NA NA +PJ020450 TLMYW C35H48N6O8S 712.3254 NA PeJP NA NA +PJ020451 GPVMFY C35H48N6O8S 712.3255 NA PeJP NA NA +PJ020452 STTLEY C31H48N6O13 712.3279 NA PeJP NA NA +PJ020453 VTTTEY C31H48N6O13 712.328 NA PeJP NA NA +PJ020454 GVLMMY C32H52N6O8S2 712.3288 NA PeJP NA NA +PJ020455 NKEHW C32H44N10O9 712.3293 NA PeJP NA NA +MJ091608 3,11,14-Trihydroxycarda-5,20(22)-dienolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-galactopyranoside] C35H52O15 712.33062 NA MeJP NA NA +MJ091609 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C35H52O15 712.33062 NA MeJP NA NA +MJ091610 3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-xylo-hexopyranoside] C35H52O15 712.33062 NA MeJP NA NA +MJ091611 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C35H52O15 712.33062 NA MeJP NA NA +MJ091612 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2-deoxy-?-D-galactopyranoside] C35H52O15 712.33062 NA MeJP NA NA +MJ091613 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2-deoxy-?-D-glucopyranoside] C35H52O15 712.33062 NA MeJP NA NA +MJ091614 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-allopyranoside] C35H52O15 712.33062 NA MeJP NA NA +MJ091615 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-gulopyranoside] C35H52O15 712.33062 NA MeJP NA NA +MJ091616 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-fucopyranoside] C35H52O15 712.33062 NA MeJP NA NA +MJ091617 Adociasulfate 3 C36H56O10S2 712.331489 NA MeJP NA NA +MJ091618 Shaagrockol C C36H56O10S2 712.331489 NA MeJP NA NA +PJ020456 GSCKRY C29H48N10O9S 712.3327 NA PeJP NA NA +MJ091619 Citrusin II C37H44N8O7 712.333295 NA MeJP NA NA +PJ020457 PPQWW C37H44N8O7 712.3333 NA PeJP NA NA +MJ091620 Adiantifoline; 2'-N-De-Me C41H48N2O9 712.335981 NA MeJP NA NA +MJ091621 Adiantifoline; O3-De-Me C41H48N2O9 712.335981 NA MeJP NA NA +MJ091622 Adiantifoline; O6'-De-Me C41H48N2O9 712.335981 NA MeJP NA NA +MJ091623 Adiantifoline; O7'-De-Me C41H48N2O9 712.335981 NA MeJP NA NA +MJ091624 Huangshanine; O7'-De-Me C41H48N2O9 712.335981 NA MeJP NA NA +MJ091625 Pinokalant C41H48N2O9 712.335981 NA MeJP NA NA +MJ091626 Thalicarpine; N2'-Oxide C41H48N2O9 712.335981 NA MeJP NA NA +MJ091627 Thalifaberine; 5'-Hydroxy C41H48N2O9 712.335981 NA MeJP NA NA +PJ020458 PMFRY C34H48N8O7S 712.3367 NA PeJP NA NA +PJ020459 SSTQKY C30H48N8O12 712.3392 NA PeJP NA NA +PJ020460 LMMRY C31H52N8O7S2 712.3401 NA PeJP NA NA +PJ020461 SQHRW C31H44N12O8 712.3405 NA PeJP NA NA +PJ020462 GPTLYY C35H48N6O10 712.3432 NA PeJP NA NA +PJ020463 AAQMHR C28H48N12O8S 712.3439 NA PeJP NA NA +PJ020464 GKHWW C36H44N10O6 712.3446 NA PeJP NA NA +MJ091628 3,14-Dihydroxycard-20(22)-enolide, 3-O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranoside] C39H52O12 712.345877 NA MeJP NA NA +PJ020465 SSLLMY C32H52N6O10S 712.3466 NA PeJP NA NA +PJ020466 SPPQER C29H48N10O11 712.3504 NA PeJP NA NA +PJ020467 GGGGGSPPK C29H48N10O11 712.3505 NA PeJP NA NA +PJ020468 SPPVQW C34H48N8O9 712.3544 NA PeJP NA NA +PJ020469 GPPKEW C34H48N8O9 712.3545 NA PeJP NA NA +PJ020470 NMHRR C27H48N14O7S 712.3551 NA PeJP NA NA +PJ020471 GGMHRR C27H48N14O7S 712.3552 NA PeJP NA NA +PJ020472 GSKKMY C31H52N8O9S 712.3578 NA PeJP NA NA +PJ020473 VVFYW C39H48N6O7 712.3585 NA PeJP NA NA +PJ020474 GSKEHR C28H48N12O10 712.3617 NA PeJP NA NA +PJ020475 GVLMFF C36H52N6O7S 712.3619 NA PeJP NA NA +PJ020476 GPPTRW C33H48N10O8 712.3657 NA PeJP NA NA +C08862 Digitalin C36H56O14 712.367 NA KEGG NA NA +MJ091629 1,3,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-talopyranoside] C36H56O14 712.367006 NA MeJP NA NA +MJ091630 1,3,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-talopyranoside] C36H56O14 712.367006 NA MeJP NA NA +MJ091631 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] C36H56O14 712.367006 NA MeJP NA NA +MJ091632 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?2)-6-deoxy-3-O-methyl-?-D-glucopyranoside] C36H56O14 712.367006 NA MeJP NA NA +MJ091633 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] C36H56O14 712.367006 NA MeJP NA NA +MJ091634 3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-D-ribo-hexopyranoside] C36H56O14 712.367006 NA MeJP NA NA +MJ091635 3,5,14-Trihydroxycard-20(22)-enolide, Glycoside C36H56O14 712.367006 NA MeJP NA NA +MJ091636 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 11-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-canaropyranoside] C36H56O14 712.367006 NA MeJP NA NA +MJ091637 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-canaropyranoside] C36H56O14 712.367006 NA MeJP NA NA +MJ091638 14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 3-(N-Glutaroyl-L-argininoyl), 16-Ac C37H52N4O10 712.368343 NA MeJP NA NA +PJ020477 PPVNMR C30H52N10O8S 712.3691 NA PeJP NA NA +PJ020478 PPKWW C38H48N8O6 712.3697 NA PeJP NA NA +7730 NA TYRKPPFNGSIF~ 712.37045 MH2+ Inhouse_peptide NA peptide +MJ091639 Petuniasterone B; 7,22-Bis-(3-pyridinecarbonyl) C42H52N2O8 712.372366 NA MeJP NA NA +PJ020479 GSTHRR C27H48N14O9 712.3729 NA PeJP NA NA +PJ020480 LMFFR C35H52N8O6S 712.3731 NA PeJP NA NA +PJ020481 SSTKKY C31H52N8O11 712.3756 NA PeJP NA NA +PJ020482 SKHRW C32H48N12O7 712.3769 NA PeJP NA NA +PJ020483 AALLYY C36H52N6O9 712.3796 NA PeJP NA NA +PJ020484 GPPMRR C29H52N12O7S 712.3803 NA PeJP NA NA +PJ020485 SPPKER C30H52N10O10 712.3868 NA PeJP NA NA +PJ020486 SPPVKW C35H52N8O8 712.3908 NA PeJP NA NA +PJ020487 GGAPLLW C35H52N8O8 712.3909 NA PeJP NA NA +PJ020488 SLLLMH C32H56N8O8S 712.3942 NA PeJP NA NA +MJ091640 2,3-Dihydroxy-14-taraxeren-28-oic acid, 2,3-Bis-(4-hydroxybenzoyl) C44H56O8 712.397518 NA MeJP NA NA +PJ020489 SPPTRR C29H52N12O9 712.398 NA PeJP NA NA +PJ020490 GPVERR C29H52N12O9 712.3981 NA PeJP NA NA +PJ020491 PLLLEE C33H56N6O11 712.4007 NA PeJP NA NA +PJ020492 AAPLRW C34H52N10O7 712.4021 NA PeJP NA NA +MJ091641 Spirostane-2,3,5,6-tetrol, 3-(2-Hydroxybutanoyl), 2-O-?-D-glucopyranoside C37H60O13 712.403392 NA MeJP NA NA +MJ091642 Marinobufagin; O3-(L-Argininylsuberoyl) C38H56N4O9 712.404729 NA MeJP NA NA +PJ020493 PPCLKR C31H56N10O7S 712.4055 NA PeJP NA NA +PJ020494 PERRR C28H52N14O8 712.4093 NA PeJP NA NA +PJ020495 PVLQKE C32H56N8O10 712.412 NA PeJP NA NA +PJ020496 PVRRW C33H52N12O6 712.4133 NA PeJP NA NA +MJ091643 Lasonolide B C41H60O10 712.418648 NA MeJP NA NA +PJ020497 APLKER C31H56N10O9 712.4232 NA PeJP NA NA +PJ020498 GPLLKW C36H56N8O7 712.4272 NA PeJP NA NA +PJ020499 PPLKKM C33H60N8O7S 712.4306 NA PeJP NA NA +PJ020500 APTLRR C30H56N12O8 712.4344 NA PeJP NA NA +PJ020501 GGAPKKR C30H56N12O8 712.4345 NA PeJP NA NA +MJ091644 Cholest-5-ene-1,3,16,22-tetrol, 1-O-?-L-Arabinopyranoside, 16-O-?-L-rhamnopyranoside C38H64O12 712.439777 NA MeJP NA NA +MJ091645 Dammar-23-ene-1,2,3,20,25-pentol, 25-Hydroperoxide, 3-O-(2-O-acetyl-?-D-glucopyranoside) C38H64O12 712.439777 NA MeJP NA NA +MJ091646 Dammar-23-ene-1,2,3,20,25-pentol, 25-Hydroperoxide, 3-O-(6-O-acetyl-?-D-glucopyranoside) C38H64O12 712.439777 NA MeJP NA NA +MJ091647 Dammar-25-ene-1,2,3,20,24-pentol, 24-Hydroperoxide, 3-O-(2-O-acetyl-?-D-glucopyranoside) C38H64O12 712.439777 NA MeJP NA NA +MJ091648 Dammar-25-ene-1,2,3,20,24-pentol, 24-Hydroperoxide, 3-O-(6-O-acetyl-?-D-glucopyranoside) C38H64O12 712.439777 NA MeJP NA NA +PJ020502 PVLKKE C33H60N8O9 712.4484 NA PeJP NA NA +PJ020503 SPLLKR C32H60N10O8 712.4596 NA PeJP NA NA +MJ091649 3,3',4,4'-Tetradehydro-1',2'-dihydro-1'-hydroxy-?,?-carotene; O-?-D-Glucopyranoside C46H64O6 712.470289 NA MeJP NA NA +MJ091650 Amarouciaxanthin B; 19'-Hexanoyloxy, 4,5?-dihydro C46H64O6 712.470289 NA MeJP NA NA +MJ091651 Chlorobactene; 1',2'-Dihydro, 1'-hydroxy, O-?-D-glucopyranoside C46H64O6 712.470289 NA MeJP NA NA +MJ091652 Mytiloxanthin; 19-Hexanoyloxy C46H64O6 712.470289 NA MeJP NA NA +C15914 Hydroxychlorobactene glucoside C46H64O6 712.4703 NA KEGG NA NA +PJ020504 GVLLRR C31H60N12O7 712.4708 NA PeJP NA NA +PJ020505 LLLLLE C35H64N6O9 712.4735 NA PeJP NA NA +MJ091653 Dolabelide D C39H68O11 712.476163 NA MeJP NA NA +PJ020506 LLRRR C30H60N14O6 712.4821 NA PeJP NA NA +PJ020507 VLLLQK C34H64N8O8 712.4847 NA PeJP NA NA +PJ020508 GGILLLK C34H64N8O8 712.4848 NA PeJP NA NA +MJ091654 Bisdequalinium(2+); Diacetate C44H64N4O4 712.492756 NA MeJP NA NA +PJ020509 ALLLKR C33H64N10O7 712.496 NA PeJP NA NA +HMDB07788 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C47H68O5 712.506653 NA HMDB2010 NA NA +PJ020510 VLLLKK C35H68N8O7 712.5211 NA PeJP NA NA +MetaCyc04071 3-demethylubiquinone-8 [OMHMB;2-octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone;] C48H72O4 712.543061 NA metacyc NA NA +C05815 2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone C48H72O4 712.5431 NA KEGG NA NA +C12967 Tocoretinate C49H76O3 712.5794 NA KEGG NA NA +C12968 Transferred to D01517 C49H76O3 712.5794 NA KEGG NA NA +C12969 Transferred to D01518 C49H76O3 712.5794 NA KEGG NA NA +C12970 Transferred to D01519 C49H76O3 712.5794 NA KEGG NA NA +C12971 Transferred to D01520 C49H76O3 712.5794 NA KEGG NA NA +C12972 Transferred to D01521 C49H76O3 712.5794 NA KEGG NA NA +C12973 Transferred to D01522 C49H76O3 712.5794 NA KEGG NA NA +C12974 Transferred to D01523 C49H76O3 712.5794 NA KEGG NA NA +C12975 Transferred to D01524 C49H76O3 712.5794 NA KEGG NA NA +C12976 Transferred to D01525 C49H76O3 712.5794 NA KEGG NA NA +C12977 Transferred to D01526 C49H76O3 712.5794 NA KEGG NA NA +MJ091655 Retinoic acid, Ester with ?-tocopherol C49H76O3 712.579446 NA MeJP NA NA +MJ091656 Iristectorene A; Deacyl, 3-O-hexadecanoyl C46H80O5 712.600575 NA MeJP NA NA +MJ091657 Araplysillin I C21H23Br4N3O5 712.837121 NA MeJP NA NA +2992 kinases inhibitor KKALRRQECVDAL 712.91345 MH2+ Inhouse_peptide NA peptide +C16304 Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside C30H33O20 713.1565 NA KEGG NA NA +FL7AAGGL0060 Delphinidin 3-(6-malonylglucoside)-5-glucoside C30H33O20 713.15651 104078-08-2 knapsack NA NA +FL7AAGGL0070 Delphinidin 3-glucoside-5-(6-malonylglucoside) C30H33O20 713.15651 221350-33-0 knapsack NA NA +PJ020511 GSCCDDD C23H35N7O15S2 713.1633 NA PeJP NA NA +PJ020512 GPCCCCE C24H39N7O10S4 713.1642 NA PeJP NA NA +PJ020513 PCCCCW C28H39N7O7S4 713.1794 NA PeJP NA NA +PJ020514 CCNDEM C24H39N7O12S3 713.1819 NA PeJP NA NA +PJ020515 CCCDDR C23H39N9O11S3 713.1931 NA PeJP NA NA +PJ020516 GGGSCCCQ C23H39N9O11S3 713.1932 NA PeJP NA NA +PJ020517 GCCDMW C28H39N7O9S3 713.1972 NA PeJP NA NA +PJ020518 GSSCDDM C24H39N7O14S2 713.1997 NA PeJP NA NA +PJ020519 GPTCCCM C25H43N7O9S4 713.2005 NA PeJP NA NA +PJ020520 SSSCCNN C23H39N9O13S2 713.2109 NA PeJP NA NA +PJ020521 SSCCEW C28H39N7O11S2 713.2149 NA PeJP NA NA +PJ020522 SSSSCDE C24H39N7O16S 713.2174 NA PeJP NA NA +PJ020523 SCNEMM C25H43N7O11S3 713.2183 NA PeJP NA NA +PJ020524 CCYYY C33H39N5O9S2 713.2189 NA PeJP NA NA +PJ020525 CCNNNF C27H39N9O10S2 713.2262 NA PeJP NA NA +PJ020526 SCCDMR C24H43N9O10S3 713.2295 NA PeJP NA NA +PJ020527 GNDDMY C28H39N7O13S 713.2327 NA PeJP NA NA +PJ020528 ATCCMW C29H43N7O8S3 713.2335 NA PeJP NA NA +PJ020529 GSCMMW C29H43N7O8S3 713.2336 NA PeJP NA NA +PJ020530 ASSSCEM C25H43N7O13S2 713.236 NA PeJP NA NA +PJ020531 GSSSDMM C25H43N7O13S2 713.2361 NA PeJP NA NA +PJ020532 GNMMMM C26H47N7O8S4 713.2369 NA PeJP NA NA +PJ020533 SCCQHH C26H39N11O9S2 713.2374 NA PeJP NA NA +PJ020534 SCNNNY C27H39N9O12S 713.2439 NA PeJP NA NA +PJ020535 CNEYW C32H39N7O10S 713.2479 NA PeJP NA NA +PJ020536 ACCMMR C25H47N9O7S4 713.2482 NA PeJP NA NA +PJ020537 SSNDEY C28H39N7O15 713.2504 NA PeJP NA NA +PJ020538 SSTCMW C29H43N7O10S2 713.2513 NA PeJP NA NA +PJ020539 SSSSSEM C25H43N7O15S 713.2538 NA PeJP NA NA +PJ020540 SSQMMM C26H47N7O10S3 713.2547 NA PeJP NA NA +PJ020541 GSSSCHH C26H39N11O11S 713.2552 NA PeJP NA NA +PJ020542 GPCDHW C31H39N9O9S 713.2592 NA PeJP NA NA +PJ020543 GNEEEH C27H39N9O14 713.2617 NA PeJP NA NA +PJ020544 ACCDFR C28H43N9O9S2 713.2625 NA PeJP NA NA +PJ020545 GCCEFR C28H43N9O9S2 713.2626 NA PeJP NA NA +PJ020546 GCYWW C36H39N7O7S 713.2632 NA PeJP NA NA +PJ020547 GSSDYW C32H39N7O12 713.2657 NA PeJP NA NA +PJ020548 SSCMMR C25H47N9O9S3 713.2659 NA PeJP NA NA +PJ020549 CQMFW C33H43N7O7S2 713.2666 NA PeJP NA NA +MJ091658 2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 2-(3-Pyridinecarbonyl), 3,5,7,8,15-penta-Ac C36H43NO14 713.268355 NA MeJP NA NA +MJ091659 Ipecosidic acid; 6-Me ether, N-de-Ac, N-(4-hydroxy-3-methoxy-E-cinnamoyl), Me ester C36H43NO14 713.268355 NA MeJP NA NA +MJ091660 Ipecosidic acid; 6-Me ether, N-de-Ac, N-(4-hydroxy-3-methoxy-Z-cinnamoyl), Me ester C36H43NO14 713.268355 NA MeJP NA NA +PJ020550 GSQEMY C29H43N7O12S 713.2691 NA PeJP NA NA +PJ020551 GCNHHF C30H39N11O8S 713.2704 NA PeJP NA NA +PJ020552 GSSTTMM C26H47N7O12S2 713.2724 NA PeJP NA NA +PJ020553 GDDDHR C26H39N11O13 713.2729 NA PeJP NA NA +PJ020554 ACKMMM C27H51N7O7S4 713.2733 NA PeJP NA NA +PJ020555 SCCKHH C27H43N11O8S2 713.2738 NA PeJP NA NA +PJ020556 NEEHW C31H39N9O11 713.2769 NA PeJP NA NA +PJ020557 CCFRW C32H43N9O6S2 713.2778 NA PeJP NA NA +PJ020558 GSCERY C28H43N9O11S 713.2803 NA PeJP NA NA +PJ020559 SQMYW C33H43N7O9S 713.2843 NA PeJP NA NA +PJ020560 SSTQEY C29H43N7O14 713.2868 NA PeJP NA NA +PJ020561 AAQMMY C30H47N7O9S2 713.2877 NA PeJP NA NA +PJ020562 GSNNHW C30H39N11O10 713.2882 NA PeJP NA NA +7825 ACE inhibitor PSGQYY 713.289 antithrombotic Inhouse_peptide NA peptide +PJ020563 SSSTTTM C26H47N7O14S 713.2902 NA PeJP NA NA +PJ020564 SSKMMM C27H51N7O9S3 713.2911 NA PeJP NA NA +PJ020565 SPCDHR C27H43N11O10S 713.2915 NA PeJP NA NA +PJ020566 GGGGAQMH C27H43N11O10S 713.2916 NA PeJP NA NA +PJ020567 GEHWW C35H39N9O8 713.2922 NA PeJP NA NA +PJ020568 SCRYW C32H43N9O8S 713.2955 NA PeJP NA NA +PJ020569 GSPMHW C32H43N9O8S 713.2956 NA PeJP NA NA +PJ020570 SSSDRY C28H43N9O13 713.2981 NA PeJP NA NA +PJ020571 NMMRY C29H47N9O8S2 713.2989 NA PeJP NA NA +PJ020572 GSTTYW C33H43N7O11 713.3021 NA PeJP NA NA +PJ020573 GCNQHR C26H43N13O9S 713.3028 NA PeJP NA NA +PJ020574 CKMFW C34H47N7O6S2 713.3029 NA PeJP NA NA +MJ091661 Damavaricin D; 14-Hydroxy C37H47NO13 713.30474 NA MeJP NA NA +MJ091662 Rifamycin S; 16,17-Dihydro, 17-hydroxy C37H47NO13 713.30474 NA MeJP NA NA +PJ020575 ASDKMY C30H47N7O11S 713.3054 NA PeJP NA NA +PJ020576 GSKEMY C30H47N7O11S 713.3055 NA PeJP NA NA +PJ020577 HWWW C39H39N9O5 713.3074 NA PeJP NA NA +PJ020578 GSEEHR C27H43N11O12 713.3093 NA PeJP NA NA +PJ020579 APCMHR C28H47N11O7S2 713.3102 NA PeJP NA NA +PJ020580 DKEHW C32H43N9O10 713.3133 NA PeJP NA NA +PJ020581 HHHHF C33H39N13O6 713.3147 NA PeJP NA NA +PJ020582 GSTMRY C29H47N9O10S 713.3167 NA PeJP NA NA +PJ020583 PPEWW C37H43N7O8 713.3173 NA PeJP NA NA +PJ020584 SSNNHR C26H43N13O11 713.3205 NA PeJP NA NA +PJ020585 SKMYW C34H47N7O8S 713.3207 NA PeJP NA NA +PJ020586 SSTKEY C30H47N7O13 713.3232 NA PeJP NA NA +PJ020587 AAKMMY C31H51N7O8S2 713.3241 NA PeJP NA NA +PJ020588 SEHRW C31H43N11O9 713.3245 NA PeJP NA NA +PJ020589 AAEMHR C28H47N11O9S 713.3279 NA PeJP NA NA +PJ020590 SVHWW C36H43N9O7 713.3286 NA PeJP NA NA +PJ020591 LQMHW C33H47N9O7S 713.3319 NA PeJP NA NA +PJ020592 GALMHW C33H47N9O7S 713.332 NA PeJP NA NA +PJ020593 SSTTRY C29H47N9O12 713.3344 NA PeJP NA NA +PJ020594 PPTDER C29H47N9O12 713.3345 NA PeJP NA NA +PJ020595 APKMMH C30H51N9O7S2 713.3353 NA PeJP NA NA +PJ020596 GVQHHH C30H43N13O8 713.3358 NA PeJP NA NA +PJ020597 SPPVEW C34H47N7O10 713.3385 NA PeJP NA NA +PJ020598 DMHRR C27H47N13O8S 713.3392 NA PeJP NA NA +PJ020599 ATTKMY C31H51N7O10S 713.3418 NA PeJP NA NA +PJ020600 GAPPLEM C31H51N7O10S 713.3419 NA PeJP NA NA +8 Myosin MNPPKQ 713.342 celiac toxic Inhouse_peptide NA peptide +PJ020601 CLHRW C32H47N11O6S 713.3432 NA PeJP NA NA +PJ020602 ATTEHR C28H47N11O11 713.3457 NA PeJP NA NA +PJ020603 QHHHR C29H43N15O7 713.347 NA PeJP NA NA +PJ020604 GTTLHW C33H47N9O9 713.3497 NA PeJP NA NA +PJ020605 PPVDMR C30H51N9O9S 713.3531 NA PeJP NA NA +PJ020606 AKFYW C38H47N7O7 713.3537 NA PeJP NA NA +PJ020607 GPNDRR C27H47N13O10 713.3569 NA PeJP NA NA +PJ020608 APPLMW C35H51N7O7S 713.3571 NA PeJP NA NA +PJ020609 TTTTKY C31H51N7O12 713.3596 NA PeJP NA NA +PJ020610 PQQRW C32H47N11O8 713.3609 NA PeJP NA NA +PJ020611 GGAAPRW C32H47N11O8 713.361 NA PeJP NA NA +PJ020612 GTLMHR C29H51N11O8S 713.3643 NA PeJP NA NA +PJ020613 PKHFW C37H47N9O6 713.365 NA PeJP NA NA +PJ020614 LKMHW C34H51N9O6S 713.3683 NA PeJP NA NA +PJ020615 APLEER C30H51N9O11 713.3708 NA PeJP NA NA +MJ091663 Antrimycin; Antrimycin C C30H51N9O11 713.370803 NA MeJP NA NA +MJ091664 Antrimycin; Antrimycin Dv C30H51N9O11 713.370803 NA MeJP NA NA +PJ020616 GGGGPLKE C30H51N9O11 713.3709 NA PeJP NA NA +PJ020617 APPHHR C31H47N13O7 713.3722 NA PeJP NA NA +PJ020618 PPTTLW C35H51N7O9 713.3748 NA PeJP NA NA +PJ020619 GPLLEW C35H51N7O9 713.3749 NA PeJP NA NA +PJ020620 PPLKEM C32H55N7O9S 713.3782 NA PeJP NA NA +PJ020621 STTLHR C29H51N11O10 713.3821 NA PeJP NA NA +PJ020622 KHHHR C30H47N15O6 713.3834 NA PeJP NA NA +PJ020623 GPVQKW C34H51N9O8 713.3861 NA PeJP NA NA +MJ091665 Curromycin A C38H55N3O10 713.388744 NA MeJP NA NA +MJ091666 Oxazolomycin; 13'-Methyl, 16-(methoxymethyl) C38H55N3O10 713.388744 NA MeJP NA NA +PJ020624 PPTLMR C31H55N9O8S 713.3895 NA PeJP NA NA +PJ020625 PLLWW C39H51N7O6 713.3901 NA PeJP NA NA +MJ091667 Nodulosporic acid A1; 3',4'-Dihydro, 3'?-hydroxy C43H55NO8 713.392767 NA MeJP NA NA +PJ020626 GPTQRR C28H51N13O9 713.3933 NA PeJP NA NA +PJ020627 PVLKEE C32H55N7O11 713.396 NA PeJP NA NA +PJ020628 PQKRW C33H51N11O7 713.3973 NA PeJP NA NA +MJ091668 Mycinamycin II; 3B-O-De-Me C36H59NO13 713.39864 NA MeJP NA NA +MJ091669 Mycinamycin XII C36H59NO13 713.39864 NA MeJP NA NA +MJ091670 Microginin C37H55N5O9 713.399978 NA MeJP NA NA +PJ020629 ACKKKH C30H55N11O7S 713.4007 NA PeJP NA NA +PJ020630 SPLLER C31H55N9O10 713.4072 NA PeJP NA NA +PJ020631 VHFRR C32H51N13O6 713.4086 NA PeJP NA NA +PJ020632 SPVLLW C36H55N7O8 713.4112 NA PeJP NA NA +MJ091671 Pseudostellarin D C36H55N7O8 713.411211 NA MeJP NA NA +PJ020633 GPPVVVF C36H55N7O8 713.4113 NA PeJP NA NA +PJ020634 PLLLQM C33H59N7O8S 713.4146 NA PeJP NA NA +PJ020635 AVLQQR C30H55N11O9 713.4184 NA PeJP NA NA +PJ020636 GPKKER C30H55N11O9 713.4185 NA PeJP NA NA +PJ020637 GPVKKW C35H55N9O7 713.4225 NA PeJP NA NA +PJ020638 PVVLMR C32H59N9O7S 713.4259 NA PeJP NA NA +MJ091672 Pipotiazine; O-Hexadecanoyl C40H63N3O4S2 713.425998 NA MeJP NA NA +PJ020639 GPTKRR C29H55N13O8 713.4297 NA PeJP NA NA +PJ020640 VLLLQE C33H59N7O10 713.4324 NA PeJP NA NA +PJ020641 PKKRW C34H55N11O6 713.4337 NA PeJP NA NA +MJ091673 Antibiotic A 6888X C37H63NO12 713.435026 NA MeJP NA NA +MJ091674 Sporeamicin A C37H63NO12 713.435026 NA MeJP NA NA +PJ020642 VQRRR C28H55N15O7 713.4409 NA PeJP NA NA +PJ020643 ALLLER C32H59N9O9 713.4436 NA PeJP NA NA +PJ020644 GLLLLW C37H59N7O7 713.4476 NA PeJP NA NA +PJ020645 PLLLKM C34H63N7O7S 713.451 NA PeJP NA NA +PJ020646 ARRRR C27H55N17O6 713.4522 NA PeJP NA NA +PJ020647 SPVKKR C31H59N11O8 713.4548 NA PeJP NA NA +PJ020648 GGAILKR C31H59N11O8 713.4549 NA PeJP NA NA +PJ020649 AALKRR C30H59N13O7 713.4661 NA PeJP NA NA +PJ020650 VLLLKE C34H63N7O9 713.4688 NA PeJP NA NA +PJ020651 VKRRR C29H59N15O6 713.4773 NA PeJP NA NA +PJ020652 SLLLLR C33H63N9O8 713.48 NA PeJP NA NA +PJ020653 GLLKKR C32H63N11O7 713.4912 NA PeJP NA NA +MJ091675 Pepstatins; Pepstatin D C36H67N5O9 713.493878 NA MeJP NA NA +MJ091676 Pepstatins; Pepstatin E C36H67N5O9 713.493878 NA MeJP NA NA +MJ091677 Pepstatins; Pepstatin F C36H67N5O9 713.493878 NA MeJP NA NA +MJ091678 Procidin S 346 C36H67N5O9 713.493878 NA MeJP NA NA +HMDB08836 PE(14:0/20:3(5Z,8Z,11Z)) C39H72NO8P 713.499573 NA HMDB2010 NA NA +HMDB08837 PE(14:0/20:3(8Z,11Z,14Z)) C39H72NO8P 713.499573 NA HMDB2010 NA NA +HMDB08868 PE(14:1(9Z)/20:2(11Z,14Z)) C39H72NO8P 713.499573 NA HMDB2010 NA NA +HMDB08929 PE(16:0/18:3(6Z,9Z,12Z)) C39H72NO8P 713.499573 NA HMDB2010 NA NA +HMDB08930 PE(16:0/18:3(9Z,12Z,15Z)) C39H72NO8P 713.499573 NA HMDB2010 NA NA +HMDB08961 PE(16:1(9Z)/18:2(9Z,12Z)) C39H72NO8P 713.499573 NA HMDB2010 NA NA +HMDB09089 PE(18:2(9Z,12Z)/16:1(9Z)) C39H72NO8P 713.499573 NA HMDB2010 NA NA +HMDB09121 PE(18:3(6Z,9Z,12Z)/16:0) C39H72NO8P 713.499573 NA HMDB2010 NA NA +HMDB09154 PE(18:3(9Z,12Z,15Z)/16:0) C39H72NO8P 713.499573 NA HMDB2010 NA NA +HMDB09284 PE(20:2(11Z,14Z)/14:1(9Z)) C39H72NO8P 713.499573 NA HMDB2010 NA NA +HMDB09316 PE(20:3(5Z,8Z,11Z)/14:0) C39H72NO8P 713.499573 NA HMDB2010 NA NA +HMDB09349 PE(20:3(8Z,11Z,14Z)/14:0) C39H72NO8P 713.499573 NA HMDB2010 NA NA +PJ020654 VVLKKK C34H67N9O7 713.5164 NA PeJP NA NA +HMDB07930 PC(14:1(9Z)/P-18:1(11Z)) C40H76NO7P 713.53595 NA HMDB2010 NA NA +HMDB07931 PC(14:1(9Z)/P-18:1(9Z)) C40H76NO7P 713.53595 NA HMDB2010 NA NA +HMDB11270 PC(P-18:1(11Z)/14:1(9Z)) C40H76NO7P 713.53595 NA HMDB2010 NA NA +HMDB11303 PC(P-18:1(9Z)/14:1(9Z)) C40H76NO7P 713.53595 NA HMDB2010 NA NA +MJ091679 2-Amino-4,8-octadecadiene-1,3-diol, N-(2R-Hydroxyhexadecanoyl), 1-O-?-D-glucopyranoside C40H75NO9 713.544183 NA MeJP NA NA +MJ091680 5,5'-Bis[1-(3,4-dihydroxyphenyl)-1,2-dihydro-6,7-dihydroxy-2,3-naphthalenedicarboxylic acid] C36H26O16 714.122084 NA MeJP NA NA +MJ091681 Yunnaneic acid H C36H26O16 714.122084 NA MeJP NA NA +MJ091682 3,3',4',7-Tetrahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-O-(3,4,5-Trihydroxybenzoyl) C37H30O15 714.15847 NA MeJP NA NA +MJ091683 Quercitrin; 4''-O-(4-Hydroxycinnamoyl), 2''-O-(4-hydroxybenzoyl) C37H30O15 714.15847 NA MeJP NA NA +FL5FACGS0051 Quercetin 3-(2''-p-hydroxybenzoyl-4''-p-coumarylrhamnoside) C37H30O15 714.15847 126149-76-6 knapsack NA NA +PJ020655 CCDDEM C24H38N6O13S3 714.1659 NA PeJP NA NA +PJ020656 CCCCHF C27H38N8O7S4 714.1747 NA PeJP NA NA +PJ020657 GSCCCNE C23H38N8O12S3 714.1772 NA PeJP NA NA +MJ091684 4',5,6,7-Tetrahydroxyflavone; 7-Me ether, 4'-O-[2,3-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl], 6-O-(O-acetylglucoside) C34H34O17 714.179599 NA MeJP NA NA +MJ091685 Populnin; 3-O-(O-Benzoyl-?-D-glucopyranoside) C34H34O17 714.179599 NA MeJP NA NA +PJ020658 SCCCNW C27H38N8O9S3 714.1924 NA PeJP NA NA +MJ091686 Julichrome Q2.3 C38H34O14 714.194855 NA MeJP NA NA +MJ091687 Julimycin BII C38H34O14 714.194855 NA MeJP NA NA +MJ091688 Spectomycin B1 C38H34O14 714.194855 NA MeJP NA NA +PJ020659 SSSCCND C23H38N8O14S2 714.1949 NA PeJP NA NA +PJ020660 CCNNMM C24H42N8O9S4 714.1958 NA PeJP NA NA +PJ020661 PCCDDY C28H38N6O12S2 714.1989 NA PeJP NA NA +PJ020662 SCDEMM C25H42N6O12S3 714.2023 NA PeJP NA NA +PJ020663 PCCMMM C26H46N6O7S5 714.2032 NA PeJP NA NA +PJ020664 CCCCQR C23H42N10O8S4 714.207 NA PeJP NA NA +PJ020665 CCNNDF C27H38N8O11S2 714.2102 NA PeJP NA NA +PJ020666 GSSCCQM C24H42N8O11S3 714.2135 NA PeJP NA NA +PJ020667 GGGSTCCM C24H42N8O11S3 714.2136 NA PeJP NA NA +PJ020668 GDDDMY C28H38N6O14S 714.2167 NA PeJP NA NA +PJ020669 PCCDMF C29H42N6O9S3 714.2176 NA PeJP NA NA +PJ020670 GDMMMM C26H46N6O9S4 714.2209 NA PeJP NA NA +PJ020671 SCCEHH C26H38N10O10S2 714.2214 NA PeJP NA NA +PJ020672 GSSCCCR C23H42N10O10S3 714.2248 NA PeJP NA NA +PJ020673 SCNNDY C27H38N8O13S 714.2279 NA PeJP NA NA +PJ020674 SSSSCNM C24H42N8O13S2 714.2313 NA PeJP NA NA +PJ020675 CDEYW C32H38N6O11S 714.2319 NA PeJP NA NA +PJ020676 CCCQKM C25H46N8O8S4 714.2322 NA PeJP NA NA +PJ020677 SSDDEY C28H38N6O16 714.2344 NA PeJP NA NA +PJ020678 SPCDMY C29H42N6O11S2 714.2353 NA PeJP NA NA +MJ091689 Demecarium(2+); Dibromide C32H52Br2N4O4 714.235531 NA MeJP NA NA +MJ091690 Loganic acid; 7-O-[?-D-Glucopyranosyl-(1?4)-4-hydroxy-3-methoxycinnamoyl] C32H42O18 714.237114 NA MeJP NA NA +PJ020679 SSEMMM C26H46N6O11S3 714.2387 NA PeJP NA NA +PJ020680 GCMMHH C27H42N10O7S3 714.24 NA PeJP NA NA +PJ020681 CCCCKR C24H46N10O7S4 714.2434 NA PeJP NA NA +PJ020682 GDEEEH C27H38N8O15 714.2457 NA PeJP NA NA +PJ020683 GCNQMY C28H42N8O10S2 714.2466 NA PeJP NA NA +PJ020684 GSSSSSTC C24H42N8O15S 714.2491 NA PeJP NA NA +PJ020685 GDDDFF C32H38N6O13 714.2497 NA PeJP NA NA +PJ020686 GSSCCKM C25H46N8O10S3 714.2499 NA PeJP NA NA +PJ020687 CNNNNH C25H38N12O11S 714.2504 NA PeJP NA NA +PJ020688 CEMFW C33H42N6O8S2 714.2506 NA PeJP NA NA +PJ020689 GSEEMY C29H42N6O13S 714.2531 NA PeJP NA NA +PJ020690 APCMMY C30H46N6O8S3 714.2539 NA PeJP NA NA +PJ020691 PVCCMY C30H46N6O8S3 714.254 NA PeJP NA NA +PJ020692 GCDHHF C30H38N10O9S 714.2544 NA PeJP NA NA +PJ020693 SNNDEH C26H38N10O14 714.2569 NA PeJP NA NA +PJ020694 ATMMMM C27H50N6O8S4 714.2573 NA PeJP NA NA +PJ020695 GCCNRY C27H42N10O9S2 714.2578 NA PeJP NA NA +PJ020696 DEEHW C31H38N8O12 714.2609 NA PeJP NA NA +PJ020697 SSNNMY C28H42N8O12S 714.2643 NA PeJP NA NA +PJ020698 PPCMMH C29H46N8O7S3 714.2652 NA PeJP NA NA +PJ020699 SSSSSSSS C24H42N8O17 714.2668 NA PeJP NA NA +MJ091691 1,2,3,4,6,9-Hexahydroxydihydro-?-agarofuran, 1,6,9-Tribenzoyl, 2,3-di-Ac C40H42O12 714.267626 NA MeJP NA NA +MJ091692 1,2,3,4,8,9-Hexahydroxydihydro-?-agarofuran, 1,8,9-Tribenzoyl, 2,3-di-Ac C40H42O12 714.267626 NA MeJP NA NA +MJ091693 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,8,9-Tribenzoyl, 6,14-di-Ac C40H42O12 714.267626 NA MeJP NA NA +MJ091694 Lappaol F C40H42O12 714.267626 NA MeJP NA NA +MJ091695 Secoisolariciresinol, 9,9'-Bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,E-) C40H42O12 714.267626 NA MeJP NA NA +PJ020700 SSSTCCK C25H46N8O12S2 714.2677 NA PeJP NA NA +PJ020701 SEMYW C33H42N6O10S 714.2683 NA PeJP NA NA +PJ020702 CCCKKM C26H50N8O7S4 714.2686 NA PeJP NA NA +PJ020703 SSTEEY C29H42N6O15 714.2708 NA PeJP NA NA +PJ020704 PPDEEE C29H42N6O15 714.2709 NA PeJP NA NA +PJ020705 AAEMMY C30H46N6O10S2 714.2717 NA PeJP NA NA +PJ020706 GSNDHW C30H38N10O11 714.2722 NA PeJP NA NA +MJ091696 15,16-Epoxy-2,6-dihydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, 2,6-Di-O-?-D-glucopyranoside, Me ester C33H46O17 714.2735 NA MeJP NA NA +MJ091697 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C33H46O17 714.2735 NA MeJP NA NA +MJ091698 3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5,5'-Tetra-Me ether, 4'-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C33H46O17 714.2735 NA MeJP NA NA +MJ091699 3,3',4,4',5,9-Hexahydroxy-7,9'-epoxylignan, 3,3',5-Tri-Me ether, 4,4'-di-O-?-D-glucopyranoside C33H46O17 714.2735 NA MeJP NA NA +MJ091700 Arctigenic acid; 4'-?-Gentiobioside C33H46O17 714.2735 NA MeJP NA NA +PJ020707 TTTMMM C27H50N6O10S3 714.2751 NA PeJP NA NA +PJ020708 ANNEMH C27H42N10O11S 714.2755 NA PeJP NA NA +PJ020709 GNQEMH C27H42N10O11S 714.2756 NA PeJP NA NA +PJ020710 GCNQFF C32H42N8O9S 714.2796 NA PeJP NA NA +PJ020711 GSSSSQY C28H42N8O14 714.2821 NA PeJP NA NA +PJ020712 DMMRY C29H46N8O9S2 714.2829 NA PeJP NA NA +PJ020713 GGGCKMY C29H46N8O9S2 714.283 NA PeJP NA NA +PJ020714 PCFYW C37H42N6O7S 714.2836 NA PeJP NA NA +PJ020715 GSPEYY C33H42N6O12 714.2861 NA PeJP NA NA +PJ020716 GCNEHR C26H42N12O10S 714.2868 NA PeJP NA NA +PJ020717 CLMYW C34H46N6O7S2 714.287 NA PeJP NA NA +MJ091701 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 10-Benzoyl, 2,4,7,9,13-penta-Ac C37H46O14 714.288756 NA MeJP NA NA +MJ091702 3,5,6,11,14,15,17-Heptahydroxy-9-segetanone, 3-Benzoyl, 5,6,11,14,17-penta-Ac C37H46O14 714.288756 NA MeJP NA NA +MJ091703 3,5,6,11,14,15-Hexahydroxy-9-segetanone, 3-Benzoyl, 5-(2-acetoxyacetyl), 6,11,14-tri-Ac C37H46O14 714.288756 NA MeJP NA NA +MJ091704 3,5,6,14,15,17-Hexahydroxy-9-segetanone, 3-Benzoyl, 5-(2-acetoxyacetyl), 6,14,17-tri-Ac C37H46O14 714.288756 NA MeJP NA NA +MJ091705 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2-Benzoyl, 4,7,9,10,13-penta-Ac C37H46O14 714.288756 NA MeJP NA NA +MJ091706 Antibiotic BA 12100Z1; 12b-De-O-glycosyl C37H46O14 714.288756 NA MeJP NA NA +MJ091707 Dregeanin C37H46O14 714.288756 NA MeJP NA NA +MJ091708 Neobeguin C37H46O14 714.288756 NA MeJP NA NA +MJ091709 Paralinone A C37H46O14 714.288756 NA MeJP NA NA +MJ091710 Urdamycin G C37H46O14 714.288756 NA MeJP NA NA +C12414 Urdamycin G C37H46O14 714.2888 NA KEGG NA NA +PJ020718 ATTEMY C30H46N6O12S 714.2895 NA PeJP NA NA +PJ020719 GVMMMF C31H50N6O7S3 714.2903 NA PeJP NA NA +PJ020720 NQMHW C31H42N10O8S 714.2908 NA PeJP NA NA +PJ020721 SSQQEH C27H42N10O13 714.2933 NA PeJP NA NA +PJ020722 PCCQKH C28H46N10O8S2 714.2942 NA PeJP NA NA +PJ020723 GNNHHH C28H38N14O9 714.2947 NA PeJP NA NA +PJ020724 SPPNDW C32H42N8O11 714.2973 NA PeJP NA NA +PJ020725 SSCQKY C29H46N8O11S 714.3007 NA PeJP NA NA +PJ020726 SPYYW C37H42N6O9 714.3013 NA PeJP NA NA +PJ020727 AEFYW C37H42N6O9 714.3014 NA PeJP NA NA +PJ020728 MMMFR C30H50N8O6S3 714.3016 NA PeJP NA NA +PJ020729 CNHRW C30H42N12O7S 714.302 NA PeJP NA NA +PJ020730 GGCHRW C30H42N12O7S 714.3021 NA PeJP NA NA +MJ091711 1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 1,2,6-Tribenzoyl, 9-(2-Methylbutanoyl) C41H46O11 714.304012 NA MeJP NA NA +PJ020731 SSNDHR C26H42N12O12 714.3045 NA PeJP NA NA +PJ020732 AAPMYY C34H46N6O9S 714.3047 NA PeJP NA NA +PJ020733 TTTTEY C30H46N6O14 714.3072 NA PeJP NA NA +PJ020734 GTLMMY C31H50N6O9S2 714.3081 NA PeJP NA NA +PJ020735 GSTQHW C31H42N10O10 714.3086 NA PeJP NA NA +PJ020736 PPCNER C28H46N10O10S 714.3119 NA PeJP NA NA +PJ020737 GGGGSLMH C28H46N10O10S 714.312 NA PeJP NA NA +PJ020738 PEHFW C36H42N8O8 714.3126 NA PeJP NA NA +PJ020739 LEMHW C33H46N8O8S 714.316 NA PeJP NA NA +PJ020740 GSSSSKY C29H46N8O13 714.3185 NA PeJP NA NA +MJ091712 Bianthrone A2a C45H46O8 714.319268 NA MeJP NA NA +PJ020741 ACCKKY C30H50N8O8S2 714.3193 NA PeJP NA NA +PJ020742 GVEHHH C30H42N12O9 714.3198 NA PeJP NA NA +PJ020743 CLFFW C38H46N6O6S 714.32 NA PeJP NA NA +PJ020744 LQEYY C34H46N6O11 714.3225 NA PeJP NA NA +PJ020745 GSQMHR C27H46N12O9S 714.3232 NA PeJP NA NA +PJ020746 QHHFF C35H42N10O7 714.3238 NA PeJP NA NA +7013 synthetic peptide from alpha-gliadin PYPQPQPQYSQP 714.325 MH2+ Inhouse_peptide NA peptide +MJ091713 Zaragozic acid C; 4',5'-Dihydro, O-de-Ac C38H50O13 714.325141 NA MeJP NA NA +PJ020747 STTLMY C31H50N6O11S 714.3258 NA PeJP NA NA +PJ020748 PPLEEM C31H50N6O11S 714.3259 NA PeJP NA NA +PJ020749 GPPCRW C32H46N10O7S 714.3272 NA PeJP NA NA +PJ020750 GPQEER C28H46N10O12 714.3297 NA PeJP NA NA +PJ020751 PCCKKH C29H50N10O7S2 714.3306 NA PeJP NA NA +PJ020752 EHHHR C29H42N14O8 714.331 NA PeJP NA NA +MJ091714 Taucorten C41H47FN2O8 714.331644 NA MeJP NA NA +PJ020753 GPVQEW C33H46N8O10 714.3337 NA PeJP NA NA +PJ020754 GSCHRR C26H46N14O8S 714.3344 NA PeJP NA NA +PJ020755 VHHHW C34H42N12O6 714.3351 NA PeJP NA NA +PJ020756 SSCKKY C30H50N8O10S 714.3371 NA PeJP NA NA +PJ020757 ALYYW C38H46N6O8 714.3377 NA PeJP NA NA +MJ091715 Nimbolinin; 7-Cinnamoyl (E-), 1-angeloyl, 3-Ac C42H50O10 714.340397 NA MeJP NA NA +PJ020758 GPDDRR C27H46N12O11 714.3409 NA PeJP NA NA +PJ020759 GGGGGGPTR C27H46N12O11 714.341 NA PeJP NA NA +PJ020760 AALMFY C35H50N6O8S 714.3411 NA PeJP NA NA +7674 ACE inhibitor from b-CN (47-59), mouse VHSSIQSQPQAFT 714.342 MH2+ Inhouse_peptide NA peptide +3644 stimulating g-interferon production peptide PQPFPSQQPYLQ 714.3435 MH2+ Inhouse_peptide NA peptide +7010 synthetic peptide from alpha-gliadin FPQPQLPYSQPQ 714.3435 MH2+ Inhouse_peptide NA peptide +PJ020761 PVLEEE C31H50N6O13 714.3436 NA PeJP NA NA +PJ020762 PQERW C32H46N10O9 714.3449 NA PeJP NA NA +PJ020763 GAPERW C32H46N10O9 714.345 NA PeJP NA NA +MJ091716 3,14,19-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C35H54O15 714.346271 NA MeJP NA NA +MJ091717 3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C35H54O15 714.346271 NA MeJP NA NA +MJ091718 3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C35H54O15 714.346271 NA MeJP NA NA +MJ091719 3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C35H54O15 714.346271 NA MeJP NA NA +MJ091720 3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-gulopyranoside] C35H54O15 714.346271 NA MeJP NA NA +MJ091721 3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C35H54O15 714.346271 NA MeJP NA NA +MJ091722 Ornithogalum Substance D C35H54O15 714.346271 NA MeJP NA NA +PJ020764 SPPQMR C29H50N10O9S 714.3483 NA PeJP NA NA +PJ020765 PVQWW C37H46N8O7 714.349 NA PeJP NA NA +MJ091723 Rubiflavin C1 C41H50N2O9 714.351631 NA MeJP NA NA +PJ020766 VMFRY C34H50N8O7S 714.3523 NA PeJP NA NA +PJ020767 GPPKMW C34H50N8O7S 714.3524 NA PeJP NA NA +PJ020768 PVNKEE C30H50N8O12 714.3548 NA PeJP NA NA +PJ020769 GGPVKEE C30H50N8O12 714.3549 NA PeJP NA NA +PJ020770 ALLMMH C31H54N8O7S2 714.3557 NA PeJP NA NA +PJ020771 QQHFR C31H46N12O8 714.3562 NA PeJP NA NA +PJ020772 LKEYY C35H50N6O10 714.3589 NA PeJP NA NA +PJ020773 SPPCRR C28H50N12O8S 714.3596 NA PeJP NA NA +PJ020774 APRWW C36H46N10O6 714.3602 NA PeJP NA NA +MJ091724 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-(2-O-Sulfo-?-D-glucopyranoside) C36H58O12S 714.364898 NA MeJP NA NA +MJ091725 3,19-Dihydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester, 3-sulfate C36H58O12S 714.364898 NA MeJP NA NA +PJ020775 GPKEER C29H50N10O11 714.3661 NA PeJP NA NA +MJ091726 11-Hydroxytetradecanoic acid, O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C32H58O17 714.3674 NA MeJP NA NA +PJ020776 GPVKEW C34H50N8O9 714.3701 NA PeJP NA NA +MJ091727 Delavaine A C38H54N2O11 714.37276 NA MeJP NA NA +MJ091728 Delavaine B C38H54N2O11 714.37276 NA MeJP NA NA +MJ091729 Delectinine; O18-(2-Acetamidobenzoyl), O14-(2-hydroxy-2-methylbutanoyl) C38H54N2O11 714.37276 NA MeJP NA NA +MJ091730 Puberaconitine; Me ester, O8-Me C38H54N2O11 714.37276 NA MeJP NA NA +C08674 Delavaine A C38H54N2O11 714.3728 NA KEGG NA NA +C08706 Septentrionine C38H54N2O11 714.3728 NA KEGG NA NA +PJ020777 TTLLMH C31H54N8O9S 714.3735 NA PeJP NA NA +PJ020778 AALFFF C39H50N6O7 714.3741 NA PeJP NA NA +PJ020779 GPTERR C28H50N12O10 714.3773 NA PeJP NA NA +PJ020780 PKERW C33H50N10O8 714.3813 NA PeJP NA NA +PJ020781 SPPKMR C30H54N10O8S 714.3847 NA PeJP NA NA +PJ020782 PVKWW C38H50N8O6 714.3854 NA PeJP NA NA +PJ020783 QQQRR C27H50N14O9 714.3885 NA PeJP NA NA +PJ020784 GAQQRR C27H50N14O9 714.3886 NA PeJP NA NA +MJ091731 Sarcophytoic acid; 7,8-Dihydro, 8?-chloro, Me ester C41H59ClO8 714.389846 NA MeJP NA NA +PJ020785 PVDKKE C31H54N8O11 714.3912 NA PeJP NA NA +PJ020786 AAAAAVLE C31H54N8O11 714.3913 NA PeJP NA NA +PJ020787 PTRRW C32H50N12O7 714.3926 NA PeJP NA NA +PJ020788 PPLLEF C36H54N6O9 714.3953 NA PeJP NA NA +PJ020789 GPVMRR C29H54N12O7S 714.396 NA PeJP NA NA +C11965 Avermectin B1b monosaccharide C40H58O11 714.3979 NA KEGG NA NA +MJ091732 Avermectin B1a; 3'-O-De-Me, 4'-O-deglycosyl C40H58O11 714.397912 NA MeJP NA NA +PJ020790 PLLLEM C33H58N6O9S 714.3986 NA PeJP NA NA +PJ020791 NNRRR C26H50N16O8 714.3998 NA PeJP NA NA +PJ020792 SPVKER C30H54N10O10 714.4025 NA PeJP NA NA +PJ020793 APTLKW C35H54N8O8 714.4065 NA PeJP NA NA +PJ020794 PMRRR C28H54N14O6S 714.4072 NA PeJP NA NA +5453 caeridin 6 GLLGFVGSLLGGLGIG 714.4095 MH2+ Inhouse_peptide NA peptide +PJ020795 PVLQKM C32H58N8O8S 714.4099 NA PeJP NA NA +PJ020796 AALERR C29H54N12O9 714.4137 NA PeJP NA NA +PJ020797 VLLLEE C33H58N6O11 714.4164 NA PeJP NA NA +PJ020798 LLQRW C34H54N10O7 714.4177 NA PeJP NA NA +MJ091733 1,3,16,20,24-Pentahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid, 28-O-?-D-Glucopyranosyl ester C37H62O13 714.419042 NA MeJP NA NA +MJ091734 Cholest-22-ene-3,6,8,15,24-pentol, 3,24-Di-O-?-D-xylopyranoside C37H62O13 714.419042 NA MeJP NA NA +MJ091735 3,5,14-Trihydroxybufa-20,22-dienolide, 3-Suberoylarginine ester C38H58N4O9 714.420379 NA MeJP NA NA +MJ091736 Gamabufotalitoxin C38H58N4O9 714.420379 NA MeJP NA NA +PJ020799 APLKMR C31H58N10O7S 714.4211 NA PeJP NA NA +PJ020800 VERRR C28H54N14O8 714.4249 NA PeJP NA NA +PJ020801 GGAAKRR C28H54N14O8 714.425 NA PeJP NA NA +PJ020802 PTLKKE C32H58N8O10 714.4276 NA PeJP NA NA +PJ020803 VVRRW C33H54N12O6 714.429 NA PeJP NA NA +PJ020804 PPLLLY C37H58N6O8 714.4316 NA PeJP NA NA +MJ091737 Amphidinolide C C41H62O10 714.434298 NA MeJP NA NA +PJ020805 SVLLQR C31H58N10O9 714.4388 NA PeJP NA NA +PJ020806 GLLKER C31H58N10O9 714.4389 NA PeJP NA NA +PJ020807 GVLLKW C36H58N8O7 714.4429 NA PeJP NA NA +PJ020808 PVLKKM C33H62N8O7S 714.4463 NA PeJP NA NA +PJ020809 GTLLRR C30H58N12O8 714.4501 NA PeJP NA NA +PJ020810 LLKRW C35H58N10O6 714.4541 NA PeJP NA NA +MJ091738 Cholestane-3,6,15,24-tetrol, 3-O-(2-O-Methyl-?-D-xylopyranoside), 24-O-?-L-arabinofuranoside C38H66O12 714.455427 NA MeJP NA NA +PJ020811 QKKRR C29H58N14O7 714.4613 NA PeJP NA NA +PJ020812 VVLKKE C33H62N8O9 714.464 NA PeJP NA NA +MJ091739 Pseudoargiopinin; Pseudoargiopinin II C34H58N12O5 714.465313 NA MeJP NA NA +PJ020813 PLLLLF C38H62N6O7 714.468 NA PeJP NA NA +PJ020814 LLLLLM C35H66N6O7S 714.4714 NA PeJP NA NA +PJ020815 SVLLKR C32H62N10O8 714.4752 NA PeJP NA NA +PJ020816 GAALKKK C32H62N10O8 714.4753 NA PeJP NA NA +C15940 (2'S)-Deoxymyxol 2'-alpha-L-fucoside C46H66O6 714.4859 NA KEGG NA NA +MJ091740 ?-Carotene; 3',4'-Didehydro, 1',2'-dihydro, 1'-hydroxy, O-?-D-glucopyranoside C46H66O6 714.485939 NA MeJP NA NA +MJ091741 Saproxanthin; 1'-O-Rhamnoside C46H66O6 714.485939 NA MeJP NA NA +MJ091742 Zeaxanthin; 13Z-Isomer, 3-O-?-L-rhamnopyranoside C46H66O6 714.485939 NA MeJP NA NA +MJ091743 Zeaxanthin; 15Z-Isomer, 3-O-?-L-rhamnopyranoside C46H66O6 714.485939 NA MeJP NA NA +MJ091744 Zeaxanthin; 3-O-?-L-Rhamnopyanoside C46H66O6 714.485939 NA MeJP NA NA +MJ091745 Zeaxanthin; 9Z-Isomer, 3-O-?-L-rhamnopyranoside C46H66O6 714.485939 NA MeJP NA NA +MJ091746 Zeaxanthin; O-?-L-Rhamnopyranoside C46H66O6 714.485939 NA MeJP NA NA +PJ020817 GVKKKR C31H62N12O7 714.4865 NA PeJP NA NA +PJ020818 KKKRR C30H62N14O6 714.4977 NA PeJP NA NA +PJ020819 TLLLKK C34H66N8O8 714.5004 NA PeJP NA NA +PJ020820 ALKKKK C33H66N10O7 714.5116 NA PeJP NA NA +HMDB07730 DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C47H70O5 714.522339 NA HMDB2010 NA NA +HMDB07759 DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C47H70O5 714.522339 NA HMDB2010 NA NA +HMDB07786 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C47H70O5 714.522339 NA HMDB2010 NA NA +HMDB07787 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C47H70O5 714.522339 NA HMDB2010 NA NA +EUR1081 SM(d18:1/18:1) [M-H-CH3]- C41H81N2O6P 714.567576 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1081 SM(d18:1/18:1) [M-H-CH3]- C41H81N2O6P 714.567576 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1081 SM(d18:1/18:1) [M-H-CH3]- C41H81N2O6P 714.567576 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1081 SM(d18:1/18:1) [M-H-CH3]- C41H81N2O6P 714.567576 masses lipides attendues Inhousejuil11 NA NA +MJ091747 Crasserides; 10-Methylhexadecanoylcrasseride C42H82O8 714.600969 NA MeJP NA NA +C13744 3'-O-(4-Benzoyl)benzoyl ATP C24H24N5O15P3 715.0482 NA KEGG NA NA +PJ020821 GCCCCNN C22H37N9O10S4 715.1546 NA PeJP NA NA +PJ020822 GGGCCCCN C22H37N9O10S4 715.1547 NA PeJP NA NA +PJ020823 GSCCCDE C23H37N7O13S3 715.1612 NA PeJP NA NA +PJ020824 GPCCCCM C24H41N7O8S5 715.1621 NA PeJP NA NA +HMDB01260 ADP-Ribosyl-L-arginine C21H35N9O15P2 715.17279 http://www.hmdb.ca/metabolites/HMDB01260 HMDB NA NA +HMDB01260 ADP-Ribosyl-L-arginine C21H35N9O15P2 715.17279 HMDB01260 PFEM_hmdb_metabocards_official NA NA +HMDB01260 ADP-Ribosyl-L-arginine C21H35N9O15P2 715.172791 NA HMDB2010 NA NA +C01201 N(omega)-(ADP-D-ribosyl)-L-arginine C21H35N9O15P2 715.1728 NA KEGG NA NA +C01203 Oleoyl-[acyl-carrier protein] C18H33OSR 715.1728 NA KEGG NA NA +PJ020825 SCCCDW C27H37N7O10S3 715.1764 NA PeJP NA NA +PJ020826 SSSCCDD C23H37N7O15S2 715.1789 NA PeJP NA NA +PJ020827 CCNDMM C24H41N7O10S4 715.1798 NA PeJP NA NA +PJ020828 CCCCER C23H41N9O9S4 715.191 NA PeJP NA NA +PJ020829 CCNDDF C27H37N7O12S2 715.1942 NA PeJP NA NA +PJ020830 ACCCMW C28H41N7O7S4 715.1951 NA PeJP NA NA +PJ020831 GSSCCEM C24H41N7O12S3 715.1976 NA PeJP NA NA +PJ020832 CCCNHH C25H37N11O8S3 715.1989 NA PeJP NA NA +PJ020833 SCNDDY C27H37N7O14S 715.2119 NA PeJP NA NA +PJ020834 GGSCDDY C27H37N7O14S 715.212 NA PeJP NA NA +PJ020835 SSCCMW C28H41N7O9S3 715.2128 NA PeJP NA NA +PJ020836 SSSSCDM C24H41N7O14S2 715.2153 NA PeJP NA NA +PJ020837 SCNMMM C25H45N7O9S4 715.2162 NA PeJP NA NA +PJ020838 GPPCCCH C27H41N9O8S3 715.2241 NA PeJP NA NA +PJ020839 TCCCMR C24H45N9O8S4 715.2274 NA PeJP NA NA +PJ020840 GCNEMY C28H41N7O11S2 715.2306 NA PeJP NA NA +PJ020841 GSSTCMM C25H45N7O11S3 715.2339 NA PeJP NA NA +PJ020842 CNNNDH C25H37N11O12S 715.2344 NA PeJP NA NA +PJ020843 SNDDEH C26H37N9O15 715.2409 NA PeJP NA NA +PJ020844 GGSDDEH C26H37N9O15 715.241 NA PeJP NA NA +PJ020845 GCCDRY C27H41N9O10S2 715.2418 NA PeJP NA NA +PJ020846 CNMYW C32H41N7O8S2 715.2458 NA PeJP NA NA +PJ020847 SSNDMY C28H41N7O13S 715.2483 NA PeJP NA NA +PJ020848 PCCCKY C29H45N7O8S3 715.2492 NA PeJP NA NA +PJ020849 SSSSSMM C25H45N7O13S2 715.2517 NA PeJP NA NA +PJ020850 TCCKMM C26H49N7O8S4 715.2526 NA PeJP NA NA +MJ091748 Enacyloxin IIa; 13'-Me ether C34H47Cl2NO11 715.252616 NA MeJP NA NA +PJ020851 GSDDHW C30H37N9O12 715.2562 NA PeJP NA NA +PJ020852 APCCHW C31H41N9O7S2 715.2571 NA PeJP NA NA +PJ020853 GNEEMH C27H41N9O12S 715.2596 NA PeJP NA NA +PJ020854 GCCMFR C28H45N9O7S3 715.2604 NA PeJP NA NA +PJ020855 GSTCYW C32H41N7O10S 715.2636 NA PeJP NA NA +PJ020856 GSSSSEY C28H41N7O15 715.2661 NA PeJP NA NA +PJ020857 ATCQMY C29H45N7O10S2 715.2669 NA PeJP NA NA +PJ020858 GSQMMY C29H45N7O10S2 715.267 NA PeJP NA NA +PJ020859 EEEFY C33H41N5O13 715.2701 NA PeJP NA NA +PJ020860 GCDEHR C26H41N11O11S 715.2708 NA PeJP NA NA +PJ020861 NEMHW C31H41N9O9S 715.2748 NA PeJP NA NA +PJ020862 SSQEEH C27H41N9O14 715.2773 NA PeJP NA NA +PJ020863 GGGGGGPEE C27H41N9O14 715.2774 NA PeJP NA NA +PJ020864 GSCMRY C28H45N9O9S2 715.2782 NA PeJP NA NA +PJ020865 GNDHHH C28H37N13O10 715.2787 NA PeJP NA NA +PJ020866 CNFFW C36H41N7O7S 715.2788 NA PeJP NA NA +PJ020867 GGCFFW C36H41N7O7S 715.2789 NA PeJP NA NA +PJ020868 SSSSYW C32H41N7O12 715.2813 NA PeJP NA NA +PJ020869 SPPDDW C32H41N7O12 715.2814 NA PeJP NA NA +MJ091749 Antibiotic SN 706 C36H45NO14 715.284005 NA MeJP NA NA +MJ091750 Epelmycin C C36H45NO14 715.284005 NA MeJP NA NA +MJ091751 Musettamycin C36H45NO14 715.284005 NA MeJP NA NA +MJ091752 Respinomycin A1; 4'-De-O-glycosyl C36H45NO14 715.284005 NA MeJP NA NA +PJ020870 SSTQMY C29H45N7O12S 715.2847 NA PeJP NA NA +PJ020871 GCKMMF C30H49N7O7S3 715.2856 NA PeJP NA NA +PJ020872 CDHRW C30H41N11O8S 715.2861 NA PeJP NA NA +PJ020873 SSDDHR C26H41N11O13 715.2886 NA PeJP NA NA +PJ020874 PTCCHR C27H45N11O8S2 715.2894 NA PeJP NA NA +PJ020875 GMHWW C35H41N9O6S 715.2901 NA PeJP NA NA +PJ020876 GSTEHW C31H41N9O11 715.2926 NA PeJP NA NA +PJ020877 SSTCRY C28H45N9O11S 715.2959 NA PeJP NA NA +MJ091753 Cephabacin H; Cephabacin H4, 28-Deoxy, N27-L-alanyl C28H45N9O11S 715.295924 NA MeJP NA NA +PJ020878 PPCDER C28H45N9O11S 715.296 NA PeJP NA NA +PJ020879 GQYYW C36H41N7O9 715.2966 NA PeJP NA NA +PJ020880 GPPEMW C33H45N7O9S 715.3 NA PeJP NA NA +PJ020881 GSSTTTY C29H45N7O14 715.3025 NA PeJP NA NA +PJ020882 GSKMMY C30H49N7O9S2 715.3033 NA PeJP NA NA +PJ020883 PPPVTCC C30H49N7O9S2 715.3034 NA PeJP NA NA +PJ020884 GNNQHF C30H41N11O10 715.3038 NA PeJP NA NA +PJ020885 LEEYY C34H45N5O12 715.3065 NA PeJP NA NA +PJ020886 GSEMHR C27H45N11O10S 715.3072 NA PeJP NA NA +PJ020887 STHWW C35H41N9O8 715.3078 NA PeJP NA NA +PJ020888 DKMHW C32H45N9O8S 715.3112 NA PeJP NA NA +PJ020889 GPEEER C28H45N9O13 715.3137 NA PeJP NA NA +PJ020890 GLQMMH C29H49N9O8S2 715.3146 NA PeJP NA NA +PJ020891 ASQHHH C29H41N13O9 715.315 NA PeJP NA NA +PJ020892 GTQHHH C29H41N13O9 715.3151 NA PeJP NA NA +PJ020893 PPMWW C37H45N7O6S 715.3152 NA PeJP NA NA +PJ020894 GPVEEW C33H45N7O11 715.3177 NA PeJP NA NA +3629 NA YPFGFS~ 715.32 ACE inhibitor Inhouse_peptide NA peptide +MJ091754 2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 2-(3-Pyridinecarbonyl), 5-(2-methylbutanoyl), 7,8,9-tri-Ac C37H49NO13 715.32039 NA MeJP NA NA +PJ020895 SSTKMY C30H49N7O11S 715.3211 NA PeJP NA NA +PJ020896 SMHRW C31H45N11O7S 715.3224 NA PeJP NA NA +PJ020897 GPCHFR C31H45N11O7S 715.3225 NA PeJP NA NA +PJ020898 SSTEHR C27H45N11O12 715.3249 NA PeJP NA NA +PJ020899 GGGGSPER C27H45N11O12 715.325 NA PeJP NA NA +PJ020900 AAMMHR C28H49N11O7S2 715.3258 NA PeJP NA NA +PJ020901 PEERW C32H45N9O10 715.329 NA PeJP NA NA +PJ020902 SPPEMR C29H49N9O10S 715.3323 NA PeJP NA NA +PJ020903 GGGGPLQM C29H49N9O10S 715.3324 NA PeJP NA NA +PJ020904 PVEWW C37H45N7O8 715.333 NA PeJP NA NA +PJ020905 GNNQQR C26H45N13O11 715.3362 NA PeJP NA NA +PJ020906 QKMFY C34H49N7O8S 715.3363 NA PeJP NA NA +PJ020907 SPPVMW C34H49N7O8S 715.3364 NA PeJP NA NA +MJ091755 Jubanine B; N-De-Me C42H45N5O6 715.336984 NA MeJP NA NA +MJ091756 Nummularine O C42H45N5O6 715.336984 NA MeJP NA NA +PJ020908 PVDKEE C30H49N7O13 715.3389 NA PeJP NA NA +PJ020909 PPLQMM C31H53N7O8S2 715.3397 NA PeJP NA NA +PJ020910 GSPNRW C31H45N11O9 715.3402 NA PeJP NA NA +PJ020911 ATTMHR C28H49N11O9S 715.3436 NA PeJP NA NA +PJ020912 VQHFW C36H45N9O7 715.3442 NA PeJP NA NA +PJ020913 CKFRY C33H49N9O7S 715.3476 NA PeJP NA NA +3468 analogue of fibronectin GRGDSPK 715.3479 ACE inhibitor Inhouse_peptide NA peptide +PJ020914 SPVEER C29H49N9O12 715.3501 NA PeJP NA NA +PJ020915 PPCLMR C30H53N9O7S2 715.351 NA PeJP NA NA +PJ020916 GTKHHH C30H45N13O8 715.3514 NA PeJP NA NA +PJ020917 APTLEW C34H49N7O10 715.3541 NA PeJP NA NA +PJ020918 GPCQRR C27H49N13O8S 715.3548 NA PeJP NA NA +PJ020919 AHFRW C35H45N11O6 715.3555 NA PeJP NA NA +MJ091757 Germine; O15-(3,4-Dimethoxybenzoyl), O3-Ac C38H53NO12 715.356776 NA MeJP NA NA +PJ020920 PVLQEM C31H53N7O10S 715.3575 NA PeJP NA NA +PJ020921 TTTTHR C28H49N11O11 715.3613 NA PeJP NA NA +PJ020922 GGGGALER C28H49N11O11 715.3614 NA PeJP NA NA +PJ020923 GPTQKW C33H49N9O9 715.3653 NA PeJP NA NA +PJ020924 ASPQKW C33H49N9O9 715.3654 NA PeJP NA NA +PJ020925 APLEMR C30H53N9O9S 715.3687 NA PeJP NA NA +PJ020926 GPPLFW C38H49N7O7 715.3694 NA PeJP NA NA +MJ091758 11(15?1)-Abeo-4(20),11-taxadiene-5,9,10,13,15-pentol, 5-(3-Dimethylamino-3-phenylpropanoyl), 10-benzoyl, 9,13-di-Ac C42H53NO9 715.372032 NA MeJP NA NA +PJ020927 QQERR C27H49N13O10 715.3726 NA PeJP NA NA +PJ020928 KKMFY C35H53N7O7S 715.3727 NA PeJP NA NA +PJ020929 GPLLMW C35H53N7O7S 715.3728 NA PeJP NA NA +PJ020930 LLLNDE C31H53N7O12 715.3752 NA PeJP NA NA +PJ020931 PTLKEE C31H53N7O12 715.3753 NA PeJP NA NA +PJ020932 PPLKMM C32H57N7O7S2 715.3761 NA PeJP NA NA +PJ020933 VQQRW C32H49N11O8 715.3766 NA PeJP NA NA +3808 peptide from soybean b-conglycinin (Glycine max) VIPAGYP 715.377 ACE inhibitor Inhouse_peptide NA peptide +MJ091759 Amamistatin A; Demethoxy C36H53N5O10 715.379242 NA MeJP NA NA +PJ020934 GPQKMR C29H53N11O8S 715.38 NA PeJP NA NA +PJ020935 VKHFW C37H49N9O6 715.3806 NA PeJP NA NA +PJ020936 NDRRR C26H49N15O9 715.3838 NA PeJP NA NA +PJ020937 GLLEER C30H53N9O11 715.3865 NA PeJP NA NA +PJ020938 AQRRW C31H49N13O7 715.3878 NA PeJP NA NA +PJ020939 GVLLEW C35H53N7O9 715.3905 NA PeJP NA NA +PJ020940 GPCKRR C28H53N13O7S 715.3912 NA PeJP NA NA +MJ091760 Germine; O3,O15-Diangeloyl, 7-Ac C39H57NO11 715.393161 NA MeJP NA NA +PJ020941 PVLKEM C32H57N7O9S 715.3939 NA PeJP NA NA +MJ091761 Exumolide A; N-De-Me C40H53N5O7 715.394499 NA MeJP NA NA +PJ020942 GVQKER C29H53N11O10 715.3977 NA PeJP NA NA +PJ020943 LLERW C34H53N9O8 715.4017 NA PeJP NA NA +PJ020944 GGGVLKW C34H53N9O8 715.4018 NA PeJP NA NA +PJ020945 SPLLMR C31H57N9O8S 715.4051 NA PeJP NA NA +PJ020946 VLLWW C39H53N7O6 715.4058 NA PeJP NA NA +PJ020947 QKERR C28H53N13O9 715.4089 NA PeJP NA NA +PJ020948 GAKERR C28H53N13O9 715.409 NA PeJP NA NA +PJ020949 VVLKEE C32H57N7O11 715.4116 NA PeJP NA NA +PJ020950 VQKRW C33H53N11O7 715.413 NA PeJP NA NA +MJ091762 Glycylmethionylglycylalanylleucylarginylleucine; Amide C30H57N11O7S 715.416313 NA MeJP NA NA +PJ020951 GPKKMR C30H57N11O7S 715.4164 NA PeJP NA NA +PJ020952 TQRRR C27H53N15O8 715.4202 NA PeJP NA NA +PJ020953 SVLLER C31H57N9O10 715.4229 NA PeJP NA NA +PJ020954 AKRRW C32H53N13O6 715.4242 NA PeJP NA NA +PJ020955 ATLLLW C36H57N7O8 715.4269 NA PeJP NA NA +PJ020956 VLLLQM C33H61N7O8S 715.4303 NA PeJP NA NA +PJ020957 GVKKER C30H57N11O9 715.4341 NA PeJP NA NA +MJ091763 Antibiotic SUAM 20010; 1-Me ester C34H61N5O11 715.436757 NA MeJP NA NA +PJ020958 AALKKW C35H57N9O7 715.4381 NA PeJP NA NA +PJ020959 ALLLMR C32H61N9O7S 715.4415 NA PeJP NA NA +PJ020960 KKERR C29H57N13O8 715.4453 NA PeJP NA NA +3961 f(165-170) of ovine alpha s2-casein LKKISQ 715.446 ACE inhibitor Inhouse_peptide NA peptide +8179 peptide derived from ovine aS2-casein (165û170) LKKISQ 715.446 antibacterial Inhouse_peptide NA peptide +C18139 2,2',3,3',4',5,6'-Heptabromodiphenyl ether C12H3Br7O 715.4468 NA KEGG NA NA +C18140 2,2',3,4,4',5',6-Heptabromodiphenyl ether C12H3Br7O 715.4468 NA KEGG NA NA +PJ020961 TLLLKE C33H61N7O10 715.448 NA PeJP NA NA +PJ020962 VKKRW C34H57N11O6 715.4494 NA PeJP NA NA +PJ020963 TKRRR C28H57N15O7 715.4566 NA PeJP NA NA +PJ020964 TTLLLR C32H61N9O9 715.4593 NA PeJP NA NA +PJ020965 PVLLKF C37H61N7O7 715.4633 NA PeJP NA NA +PJ020966 VLLLKM C34H65N7O7S 715.4667 NA PeJP NA NA +PJ020967 ATLKKR C31H61N11O8 715.4705 NA PeJP NA NA +PJ020968 SLLKKK C33H65N9O8 715.4956 NA PeJP NA NA +PJ020969 GKKKKK C32H65N11O7 715.5069 NA PeJP NA NA +HMDB08835 PE(14:0/20:2(11Z,14Z)) C39H74NO8P 715.515198 NA HMDB2010 NA NA +HMDB08867 PE(14:1(9Z)/20:1(11Z)) C39H74NO8P 715.515198 NA HMDB2010 NA NA +HMDB08928 PE(16:0/18:2(9Z,12Z)) C39H74NO8P 715.515198 NA HMDB2010 NA NA +HMDB08959 PE(16:1(9Z)/18:1(11Z)) C39H74NO8P 715.515198 NA HMDB2010 NA NA +HMDB08960 PE(16:1(9Z)/18:1(9Z)) C39H74NO8P 715.515198 NA HMDB2010 NA NA +HMDB09023 PE(18:1(11Z)/16:1(9Z)) C39H74NO8P 715.515198 NA HMDB2010 NA NA +HMDB09056 PE(18:1(9Z)/16:1(9Z)) C39H74NO8P 715.515198 NA HMDB2010 NA NA +HMDB09088 PE(18:2(9Z,12Z)/16:0) C39H74NO8P 715.515198 NA HMDB2010 NA NA +HMDB09251 PE(20:1(11Z)/14:1(9Z)) C39H74NO8P 715.515198 NA HMDB2010 NA NA +HMDB09283 PE(20:2(11Z,14Z)/14:0) C39H74NO8P 715.515198 NA HMDB2010 NA NA +HMDB05322 GPEtn(16:0/18:2(9Z,12Z)) C39H74NO8P 715.5152 http://www.hmdb.ca/metabolites/HMDB05322 HMDB NA NA +HMDB05322 GPEtn(16:0/18:2(9Z,12Z)) C39H74NO8P 715.5152 HMDB05322 PFEM_hmdb_metabocards_official NA NA +EUR936 PC 32:2 [M-H-CH3]- C40H76NO8P 715.515207 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR936 PC 32:2 [M-H-CH3]- C40H76NO8P 715.515207 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR936 PC 32:2 [M-H-CH3]- C40H76NO8P 715.515207 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR936 PC 32:2 [M-H-CH3]- C40H76NO8P 715.515207 masses lipides attendues Inhousejuil11 NA NA +HMDB07897 PC(14:0/P-18:1(11Z)) C40H78NO7P 715.551575 NA HMDB2010 NA NA +HMDB07898 PC(14:0/P-18:1(9Z)) C40H78NO7P 715.551575 NA HMDB2010 NA NA +HMDB07929 PC(14:1(9Z)/P-18:0) C40H78NO7P 715.551575 NA HMDB2010 NA NA +HMDB08027 PC(16:1(9Z)/P-16:0) C40H78NO7P 715.551575 NA HMDB2010 NA NA +HMDB11207 PC(P-16:0/16:1(9Z)) C40H78NO7P 715.551575 NA HMDB2010 NA NA +HMDB11237 PC(P-18:0/14:1(9Z)) C40H78NO7P 715.551575 NA HMDB2010 NA NA +HMDB11269 PC(P-18:1(11Z)/14:0) C40H78NO7P 715.551575 NA HMDB2010 NA NA +HMDB11302 PC(P-18:1(9Z)/14:0) C40H78NO7P 715.551575 NA HMDB2010 NA NA +HMDB13411 PC(o-16:1(9Z)/16:1(9Z)) C40H78NO7P 715.551575 NA HMDB2010 NA NA +MJ091764 2-Amino-4-octadecene-1,3-diol, N-(2R-Hydroxyhexadecanoyl), 1-O-?-D-glucopyranoside C40H77NO9 715.559833 NA MeJP NA NA +MJ091765 2-Amino-8-octadecene-1,3,4-triol, N-Hexadecanoyl, 1-O-?-D-glucopyranoside C40H77NO9 715.559833 NA MeJP NA NA +MJ091766 Schizotenuin A C36H28O16 716.137734 NA MeJP NA NA +MJ091767 Theaflavin; 3'-Epimer, 3-O-(3,4,5-trihydroxybenzoyl) C36H28O16 716.137734 NA MeJP NA NA +MJ091768 Theaflavin; 3'-O-(3,4,5-Trihydroxybenzoyl) C36H28O16 716.137734 NA MeJP NA NA +MJ091769 Theaflavin; 3-Epimer, 3'-O-(3,4,5-trihydroxybenzoyl) C36H28O16 716.137734 NA MeJP NA NA +MJ091770 Theaflavin; 3-O-(3,4,5-Trihydroxybenzoyl) C36H28O16 716.137734 NA MeJP NA NA +HMDB05786 Theaflavin-3-gallate C36H28O16 716.137756 NA HMDB2010 NA NA +HMDB05786 Theaflavin-3-gallate C36H28O16 716.13776 http://www.hmdb.ca/metabolites/HMDB05786 HMDB NA NA +HMDB05786 Theaflavin-3-gallate C36H28O16 716.13776 HMDB05786 PFEM_hmdb_metabocards_official NA NA +PJ020970 GCCCCND C22H36N8O11S4 716.1387 NA PeJP NA NA +PJ020971 CCDDMM C24H40N6O11S4 716.1638 NA PeJP NA NA +MJ091771 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-(1-Hydroxy-6-oxo-2-cyclohexene-1-carboxylate) C37H32O15 716.17412 NA MeJP NA NA +PJ020972 ASCCCCQ C23H40N8O10S4 716.175 NA PeJP NA NA +PJ020973 GSCCCNM C23H40N8O10S4 716.1751 NA PeJP NA NA +PJ020974 CCDDDF C27H36N6O13S2 716.1782 NA PeJP NA NA +PJ020975 CCCDHH C25H36N10O9S3 716.1829 NA PeJP NA NA +PJ020976 SSSCCCQ C23H40N8O12S3 716.1928 NA PeJP NA NA +PJ020977 SCDDDY C27H36N6O15S 716.196 NA PeJP NA NA +PJ020978 PCCCEY C28H40N6O10S3 716.1968 NA PeJP NA NA +PJ020979 SCDMMM C25H44N6O10S4 716.2002 NA PeJP NA NA +PJ020980 CCCNQF C27H40N8O9S3 716.2081 NA PeJP NA NA +PJ020981 GSSSSSCC C23H40N8O14S2 716.2106 NA PeJP NA NA +PJ020982 GTCCCCK C24H44N8O9S4 716.2114 NA PeJP NA NA +PJ020983 GCDEMY C28H40N6O12S2 716.2146 NA PeJP NA NA +PJ020984 CNNDDH C25H36N10O13S 716.2184 NA PeJP NA NA +PJ020985 GGGGCDDH C25H36N10O13S 716.2185 NA PeJP NA NA +PJ020986 ACMMMM C26H48N6O7S5 716.2188 NA PeJP NA NA +PJ020987 SCCMHH C26H40N10O8S3 716.2193 NA PeJP NA NA +PJ020988 SDDDEH C26H36N8O16 716.225 NA PeJP NA NA +PJ020989 SCCNQY C27H40N8O11S2 716.2258 NA PeJP NA NA +PJ020990 SSSCCCK C24H44N8O11S3 716.2292 NA PeJP NA NA +PJ020991 CDMYW C32H40N6O9S2 716.2298 NA PeJP NA NA +MJ091772 Catalpol; 6-O-(2,3-Di-O-benzoyl-?-L-rhamnopyranoside) C35H40O16 716.231635 NA MeJP NA NA +MJ091773 Catalpol; 6-O-(2,4-Di-O-benzoyl-?-L-rhamnopyranoside) C35H40O16 716.231635 NA MeJP NA NA +MJ091774 Catalpol; 6-O-(3,4-Di-O-benzoyl-?-L-rhamnopyranoside) C35H40O16 716.231635 NA MeJP NA NA +PJ020992 SSDDMY C28H40N6O14S 716.2323 NA PeJP NA NA +PJ020993 PTCCMY C29H44N6O9S3 716.2332 NA PeJP NA NA +PJ020994 SSMMMM C26H48N6O9S4 716.2366 NA PeJP NA NA +PJ020995 GSPCCNH C26H40N10O10S2 716.2371 NA PeJP NA NA +PJ020996 GSSSCNY C27H40N8O13S 716.2436 NA PeJP NA NA +PJ020997 CCCNKF C28H44N8O8S3 716.2444 NA PeJP NA NA +PJ020998 GGCCCKF C28H44N8O8S3 716.2445 NA PeJP NA NA +PJ020999 GPCDYY C32H40N6O11S 716.2476 NA PeJP NA NA +PJ021000 CMMFW C33H44N6O6S3 716.2485 NA PeJP NA NA +PJ021001 GSEMMY C29H44N6O11S2 716.251 NA PeJP NA NA +PJ021002 ACCHHF C30H40N10O7S2 716.2523 NA PeJP NA NA +MJ091775 Lisianthioside C32H44O18 716.252764 NA MeJP NA NA +PJ021003 SNNDMH C26H40N10O12S 716.2548 NA PeJP NA NA +PJ021004 DEMHW C31H40N8O10S 716.2588 NA PeJP NA NA +PJ021005 GGGGGCFY C31H40N8O10S 716.2589 NA PeJP NA NA +MJ091776 Aeruginosin 89B C30H45ClN6O10S 716.26064 NA MeJP NA NA +PJ021006 SSEEEH C27H40N8O15 716.2613 NA PeJP NA NA +PJ021007 GGPNDEE C27H40N8O15 716.2614 NA PeJP NA NA +PJ021008 SCCNKY C28H44N8O10S2 716.2622 NA PeJP NA NA +PJ021009 GDDHHH C28H36N12O11 716.2627 NA PeJP NA NA +PJ021010 CDFFW C36H40N6O8S 716.2629 NA PeJP NA NA +PJ021011 NEEYY C32H40N6O13 716.2653 NA PeJP NA NA +PJ021012 GGEEYY C32H40N6O13 716.2654 NA PeJP NA NA +PJ021013 SMMYW C33H44N6O8S2 716.2662 NA PeJP NA NA +PJ021014 SSTEMY C29H44N6O13S 716.2687 NA PeJP NA NA +PJ021015 AAMMMY C30H48N6O8S3 716.2696 NA PeJP NA NA +PJ021016 GSCQHW C30H40N10O9S 716.2701 NA PeJP NA NA +PJ021017 GSSSNEH C26H40N10O14 716.2726 NA PeJP NA NA +PJ021018 GNQMMH C27H44N10O9S2 716.2734 NA PeJP NA NA +PJ021019 GGGQMMH C27H44N10O9S2 716.2735 NA PeJP NA NA +PJ021020 GPNDEW C31H40N8O12 716.2766 NA PeJP NA NA +PJ021021 ATEEMH C28H44N8O12S 716.28 NA PeJP NA NA +PJ021022 GEYYW C36H40N6O10 716.2806 NA PeJP NA NA +PJ021023 APMMMH C29H48N8O7S3 716.2808 NA PeJP NA NA +PJ021024 SPCHHH C29H40N12O8S 716.2813 NA PeJP NA NA +MJ091777 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 13E-cinnamoyl, 2-benzoyl, 4,10-di-Ac C40H44O12 716.283276 NA MeJP NA NA +MJ091778 Herpetetrol C40H44O12 716.283276 NA MeJP NA NA +MJ091779 Mayotolide A C40H44O12 716.283276 NA MeJP NA NA +MJ091780 Taxol?; 13-Deacyl, 13-cinnamoyl(E-) C40H44O12 716.283276 NA MeJP NA NA +PJ021025 NNNNNQ C25H40N12O13 716.2838 NA PeJP NA NA +PJ021026 GGGGGGGGGGGA C25H40N12O13 716.2839 NA PeJP NA NA +PJ021027 GSPMYY C33H44N6O10S 716.284 NA PeJP NA NA +PJ021028 GCNMHR C26H44N12O8S2 716.2847 NA PeJP NA NA +PJ021029 PVDEEE C29H44N6O15 716.2865 NA PeJP NA NA +PJ021030 ATTMMY C30H48N6O10S2 716.2873 NA PeJP NA NA +PJ021031 SSVMMY C30H48N6O10S2 716.2874 NA PeJP NA NA +PJ021032 SSSNHW C30H40N10O11 716.2878 NA PeJP NA NA +PJ021033 GGGGGEHF C30H40N10O11 716.2879 NA PeJP NA NA +PJ021034 SSQQMH C27H44N10O11S 716.2912 NA PeJP NA NA +PJ021035 PNDWW C35H40N8O9 716.2919 NA PeJP NA NA +MJ091781 24,25,26,26-Tetramethylcholestane-2,3,6-triol, Trisulfate C31H56O12S3 716.293389 NA MeJP NA NA +PJ021036 SPPCQW C32H44N8O9S 716.2952 NA PeJP NA NA +PJ021037 YYWW C40H40N6O7 716.2959 NA PeJP NA NA +PJ021038 TTTEEH C28H44N8O14 716.2977 NA PeJP NA NA +MJ091782 Mulberrofuran T C44H44O9 716.298533 NA MeJP NA NA +PJ021039 GLEMMH C29H48N8O9S2 716.2986 NA PeJP NA NA +PJ021040 GTEHHH C29H40N12O10 716.2991 NA PeJP NA NA +PJ021041 AMFYW C37H44N6O7S 716.2992 NA PeJP NA NA +PJ021042 GPCFFF C37H44N6O7S 716.2993 NA PeJP NA NA +PJ021043 DKEYY C33H44N6O12 716.3017 NA PeJP NA NA +PJ021044 PPPDEY C33H44N6O12 716.3018 NA PeJP NA NA +PJ021045 SSCQHR C26H44N12O10S 716.3024 NA PeJP NA NA +PJ021046 GGGGPCNR C26H44N12O10S 716.3025 NA PeJP NA NA +PJ021047 AAMMFF C34H48N6O7S2 716.3026 NA PeJP NA NA +PJ021048 NNHFW C34H40N10O8 716.3031 NA PeJP NA NA +MJ091783 11(15?1)-Abeo-2,5,9,10,15-pentahydroxy-4(20),11-taxadien-13-one, 10-Benzoyl, 5-O-?-D-glucopyranosyl, 2,9-di-Ac C37H48O14 716.304406 NA MeJP NA NA +MJ091784 11-Taxen-2,4,5,7,9,10,13,20-octol, 2-Benzoyl, 5,7,9,10,13-penta-Ac C37H48O14 716.304406 NA MeJP NA NA +MJ091785 11-Taxen-2,4,5,7,9,10,13,20-octol, 2-Benzoyl, 7,9,10,13,20-penta-Ac C37H48O14 716.304406 NA MeJP NA NA +MJ091786 11-Taxen-2,4,5,7,9,10,13,20-octol, 20-Benzoyl, 5,7,9,10,13-penta-Ac C37H48O14 716.304406 NA MeJP NA NA +MJ091787 6(17),11-Jatrophadiene-2,3,5,7,8,9,14,15-octol, 3-Benzoyl, 2,5,7,9,14-penta-Ac C37H48O14 716.304406 NA MeJP NA NA +MJ091788 Rohituka 8 C37H48O14 716.304406 NA MeJP NA NA +MJ091789 Trichilin B; 12-Ac C37H48O14 716.304406 NA MeJP NA NA +MJ091790 Trichilin B; 12-Epimer, 7-Ac C37H48O14 716.304406 NA MeJP NA NA +PJ021049 TTTTMY C30H48N6O12S 716.3051 NA PeJP NA NA +PJ021050 GSCKHW C31H44N10O8S 716.3065 NA PeJP NA NA +PJ021051 ASSSTQH C27H44N10O13 716.3089 NA PeJP NA NA +PJ021052 SPNDER C27H44N10O13 716.309 NA PeJP NA NA +PJ021053 PPCNMR C28H48N10O8S2 716.3098 NA PeJP NA NA +PJ021054 PMHFW C36H44N8O6S 716.3105 NA PeJP NA NA +PJ021055 GPTQEW C32H44N8O11 716.313 NA PeJP NA NA +PJ021056 LMMHW C33H48N8O6S2 716.3138 NA PeJP NA NA +PJ021057 THHHW C33H40N12O7 716.3143 NA PeJP NA NA +MJ091791 Isorhodomycin A C36H48N2O13 716.315639 NA MeJP NA NA +PJ021058 STLEMH C29H48N8O11S 716.3163 NA PeJP NA NA +PJ021059 VTTEMH C29H48N8O11S 716.3164 NA PeJP NA NA +PJ021060 SVYYW C37H44N6O9 716.317 NA PeJP NA NA +PJ021061 GVMHHH C30H44N12O7S 716.3177 NA PeJP NA NA +MJ091792 3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside, tetrabenzyl C41H48O11 716.319662 NA MeJP NA NA +MJ091793 Manassantin B C41H48O11 716.319662 NA MeJP NA NA +PJ021062 GSSSSHR C26H44N12O12 716.3202 NA PeJP NA NA +PJ021063 LQMYY C34H48N6O9S 716.3204 NA PeJP NA NA +MJ091794 Tenuiphylline C42H44N4O7 716.320999 NA MeJP NA NA +PJ021064 ACCKHR C27H48N12O7S2 716.3211 NA PeJP NA NA +PJ021065 PTLEEE C30H48N6O14 716.3229 NA PeJP NA NA +PJ021066 PPLEMM C31H52N6O9S2 716.3238 NA PeJP NA NA +PJ021067 GSPDRW C31H44N10O10 716.3242 NA PeJP NA NA +PJ021068 GPQEMR C28H48N10O10S 716.3276 NA PeJP NA NA +PJ021069 PTQWW C36H44N8O8 716.3282 NA PeJP NA NA +PJ021070 GGGPPFW C36H44N8O8 716.3283 NA PeJP NA NA +PJ021071 MHHHR C29H44N14O6S 716.3289 NA PeJP NA NA +MJ091795 Bisaknadinine C40H48N2O10 716.330895 NA MeJP NA NA +MJ091796 Nicotaxine; O5-(3-Methylamino-3-phenylpropanoyl) C40H48N2O10 716.330895 NA MeJP NA NA +PJ021072 GPVQMW C33H48N8O8S 716.3316 NA PeJP NA NA +PJ021073 AFFFW C41H44N6O6 716.3323 NA PeJP NA NA +PJ021074 SPQKEE C29H48N8O13 716.3341 NA PeJP NA NA +PJ021075 SVLMMH C30H52N8O8S2 716.335 NA PeJP NA NA +PJ021076 NNQRW C30H44N12O9 716.3354 NA PeJP NA NA +PJ021077 GGNQRW C30H44N12O9 716.3355 NA PeJP NA NA +PJ021078 GTTLYY C34H48N6O11 716.3381 NA PeJP NA NA +PJ021079 GPCERR C27H48N12O9S 716.3388 NA PeJP NA NA +MJ091797 Euphorrepinol; 5,15-Ditigloyl, tetra-Ac C38H52O13 716.340791 NA MeJP NA NA +MJ091798 Euphorrepinol; 7,14-Ditigloyl, tetra-Ac C38H52O13 716.340791 NA MeJP NA NA +PJ021080 PVLEEM C31H52N6O11S 716.3415 NA PeJP NA NA +PJ021081 PQMRW C32H48N10O7S 716.3428 NA PeJP NA NA +PJ021082 GAPMRW C32H48N10O7S 716.3429 NA PeJP NA NA +PJ021083 GVQEER C28H48N10O12 716.3453 NA PeJP NA NA +PJ021084 GGGLEER C28H48N10O12 716.3454 NA PeJP NA NA +PJ021085 ACKKMH C29H52N10O7S2 716.3462 NA PeJP NA NA +PJ021086 GPNHHR C29H44N14O8 716.3467 NA PeJP NA NA +2700 somatostatin AGCKNFFWKTFTSC 716.34895 MH2+ Inhouse_peptide NA peptide +PJ021087 GPTKEW C33H48N8O10 716.3494 NA PeJP NA NA +PJ021088 PVNKEM C30H52N8O10S 716.3527 NA PeJP NA NA +PJ021089 GGPVKEM C30H52N8O10S 716.3528 NA PeJP NA NA +PJ021090 PKFYY C38H48N6O8 716.3534 NA PeJP NA NA +PJ021091 PCRRW C31H48N12O6S 716.3541 NA PeJP NA NA +PJ021092 QEERR C27H48N12O11 716.3566 NA PeJP NA NA +PJ021093 LKMYY C35H52N6O8S 716.3567 NA PeJP NA NA +PJ021094 PPPLMY C35H52N6O8S 716.3568 NA PeJP NA NA +MJ091799 Amataine C43H48N4O6 716.357385 NA MeJP NA NA +MJ091800 Quimbeline C43H48N4O6 716.357385 NA MeJP NA NA +MJ091801 Voacanga thouarsii Alkaloid I C43H48N4O6 716.357385 NA MeJP NA NA +MJ091802 Voacinol C43H48N4O6 716.357385 NA MeJP NA NA +C08433 Amataine C43H48N4O6 716.3574 NA KEGG NA NA +PJ021095 VVLEEE C31H52N6O13 716.3593 NA PeJP NA NA +PJ021096 VQERW C32H48N10O9 716.3606 NA PeJP NA NA +3064 NA VEPIPY 716.361 celiac toxic Inhouse_peptide NA peptide +MJ091803 1,6,10,14-Phytatetraene-3,17-diol, 3-O-[6-O-Malonyl-?-D-glucopyranoside], 17-O-?-D-glucopyranoside C35H56O15 716.361921 NA MeJP NA NA +MJ091804 Aldgamycin C C35H56O15 716.361921 NA MeJP NA NA +PJ021097 GPKEMR C29H52N10O9S 716.364 NA PeJP NA NA +PJ021098 PTKWW C37H48N8O7 716.3646 NA PeJP NA NA +MJ091805 Rubiflavin C1; 17,18-Dihydro C41H52N2O9 716.367281 NA MeJP NA NA +MJ091806 Saptomycin B C41H52N2O9 716.367281 NA MeJP NA NA +PJ021099 DDRRR C26H48N14O10 716.3678 NA PeJP NA NA +PJ021100 GPVKMW C34H52N8O7S 716.368 NA PeJP NA NA +PJ021101 SPKKEE C30H52N8O12 716.3705 NA PeJP NA NA +PJ021102 AERRW C31H48N12O8 716.3718 NA PeJP NA NA +PJ021103 GGGGKRW C31H48N12O8 716.3719 NA PeJP NA NA +PJ021104 PPVLEY C35H52N6O10 716.3745 NA PeJP NA NA +PJ021105 GPTMRR C28H52N12O8S 716.3752 NA PeJP NA NA +PJ021106 GLRWW C36H48N10O6 716.3759 NA PeJP NA NA +MJ091807 2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,22-dione, 16-O-(2,4-Di-O-acetyl-?-L-arabinopyranoside) C39H56O12 716.377177 NA MeJP NA NA +C08809 Spinoside A C39H56O12 716.3772 NA KEGG NA NA +PJ021107 PKMRW C33H52N10O6S 716.3792 NA PeJP NA NA +PJ021108 GVKEER C29H52N10O11 716.3817 NA PeJP NA NA +PJ021109 GGGAAKKE C29H52N10O11 716.3818 NA PeJP NA NA +PJ021110 ASLLQW C34H52N8O9 716.3857 NA PeJP NA NA +PJ021111 AALKEW C34H52N8O9 716.3858 NA PeJP NA NA +PJ021112 PVDKKM C31H56N8O9S 716.3891 NA PeJP NA NA +PJ021113 LKFFY C39H52N6O7 716.3898 NA PeJP NA NA +PJ021114 KEERR C28H52N12O10 716.393 NA PeJP NA NA +PJ021115 PPLLMF C36H56N6O7S 716.3932 NA PeJP NA NA +PJ021116 TLLLEE C32H56N6O12 716.3957 NA PeJP NA NA +PJ021117 PLLLMM C33H60N6O7S2 716.3965 NA PeJP NA NA +PJ021118 VKERW C33H52N10O8 716.397 NA PeJP NA NA +PJ021119 SPVKMR C30H56N10O8S 716.4004 NA PeJP NA NA +PJ021120 VVKWW C38H52N8O6 716.401 NA PeJP NA NA +PJ021121 TERRR C27H52N14O9 716.4042 NA PeJP NA NA +PJ021122 ALKKEE C31H56N8O11 716.4069 NA PeJP NA NA +PJ021123 SLRRW C32H52N12O7 716.4082 NA PeJP NA NA +PJ021124 PVLLEF C36H56N6O9 716.4109 NA PeJP NA NA +PJ021125 AALMRR C29H56N12O7S 716.4116 NA PeJP NA NA +PJ021126 VLLLEM C33H60N6O9S 716.4143 NA PeJP NA NA +PJ021127 ATLKER C30H56N10O10 716.4181 NA PeJP NA NA +PJ021128 GTLLKW C35H56N8O8 716.4221 NA PeJP NA NA +PJ021129 GGPVLKF C35H56N8O8 716.4222 NA PeJP NA NA +PJ021130 VMRRR C28H56N14O6S 716.4228 NA PeJP NA NA +PJ021131 PTLKKM C32H60N8O8S 716.4255 NA PeJP NA NA +PJ021132 ATTLRR C29H56N12O9 716.4293 NA PeJP NA NA +PJ021133 SSVLRR C29H56N12O9 716.4294 NA PeJP NA NA +PJ021134 QKKKW C34H56N10O7 716.4334 NA PeJP NA NA +MJ091808 Cholestane-3,6,8,15,24-pentol, 24-O-[?-D-Xylopyranosyl-(1?5)-?-L-arabinofuranoside] C37H64O13 716.434692 NA MeJP NA NA +MJ091809 Cholestane-3,6,8,15,24-pentol, 3,24-Di-O-?-D-xylopyranoside C37H64O13 716.434692 NA MeJP NA NA +PJ021135 GLLKMR C31H60N10O7S 716.4368 NA PeJP NA NA +PJ021136 SLLKKE C32H60N8O10 716.4433 NA PeJP NA NA +PJ021137 PVLLLY C37H60N6O8 716.4473 NA PeJP NA NA +MJ091810 21,23-Epoxy-4,7,11-trihydroxy-3,4-secoapotirucalla-14,24-dien-3-oic acid, 7-(2R-Hydroxy-3-methyl-3E-pentenoyl), 11-(2R-hydroxy-3-methylbutanoyl) C41H64O10 716.449948 NA MeJP NA NA +PJ021138 STLLKR C31H60N10O9 716.4545 NA PeJP NA NA +PJ021139 PVVKKF C36H60N8O7 716.4585 NA PeJP NA NA +PJ021140 VVLKKM C33H64N8O7S 716.4619 NA PeJP NA NA +MJ091811 20(29)-Lupene-3,28-diol, 3-O-(4-Hydroxy-E-cinnamoyl), 28-O-(3-ethoxycarbonylpropanoyl) C45H64O7 716.465204 NA MeJP NA NA +PJ021141 GTKKKR C30H60N12O8 716.4657 NA PeJP NA NA +PJ021142 KKKKW C35H60N10O6 716.4698 NA PeJP NA NA +MJ091812 Kulomoopunalide 1 C39H64N4O8 716.472415 NA MeJP NA NA +PJ021143 VLLLLF C38H64N6O7 716.4837 NA PeJP NA NA +PJ021144 SVKKKK C32H64N10O8 716.4909 NA PeJP NA NA +MJ091813 ?-Carotene; 1',2'-Dihydro, 1'-hydroxy, O-?-D-glucopyranoside C46H68O6 716.501589 NA MeJP NA NA +C15861 1'-Hydroxy-gamma-carotene glucoside C46H68O6 716.5016 NA KEGG NA NA +C15862 Buccalin C46H68O6 716.5016 NA KEGG NA NA +C15863 Cerebellin C46H68O6 716.5016 NA KEGG NA NA +C15864 1'-Hydroxy-gamma-carotene glucoside ester C47H67O7R 716.5016 NA KEGG NA NA +C15865 Neuromedin B C47H67O7R 716.5016 NA KEGG NA NA +C15866 Neuromedin C C47H67O7R 716.5016 NA KEGG NA NA +MetaCyc04072 2,3-bis-o-(geranylgeranyl)glycerol 1-phosphate [] C43H73O6P1 716.514477 NA metacyc NA NA +C04638 2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate C43H73O6P 716.5145 NA KEGG NA NA +HMDB07701 DG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C47H72O5 716.537964 NA HMDB2010 NA NA +HMDB07728 DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C47H72O5 716.537964 NA HMDB2010 NA NA +HMDB07729 DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C47H72O5 716.537964 NA HMDB2010 NA NA +HMDB07757 DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C47H72O5 716.537964 NA HMDB2010 NA NA +HMDB07758 DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C47H72O5 716.537964 NA HMDB2010 NA NA +HMDB07785 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C47H72O5 716.537964 NA HMDB2010 NA NA +HMDB13463 SM(d18:0/16:1(9Z)(OH)) C39H77N2O7P 716.546814 NA HMDB2010 NA NA +MetaCyc04073 menaquinone-8 [vitamin K2;MK-8;menaquinone;] C51H72O2 716.553232 84-81-1 metacyc NA NA +C13895 1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3- C40H79NO7P 716.5594 NA KEGG NA NA +MJ091814 24-Ethylcycloart-25-en-3-ol, 9,12-Octadecadienoyl C50H84O2 716.647131 NA MeJP NA NA +3866 vespa-like peptide from R, Erythraea FLPILGKIAGFLF~ 716.9325 MH2+ Inhouse_peptide NA peptide +PJ021145 GCCCCDD C22H35N7O12S4 717.1227 NA PeJP NA NA +PJ021146 SPCCCCC C23H39N7O9S5 717.1413 NA PeJP NA NA +PJ021147 GSCCCDM C23H39N7O11S4 717.1591 NA PeJP NA NA +PJ021148 TCCCCW C27H39N7O8S4 717.1743 NA PeJP NA NA +PJ021149 SSSCCCE C23H39N7O13S3 717.1768 NA PeJP NA NA +PJ021150 CCCQMM C24H43N7O8S5 717.1777 NA PeJP NA NA +PJ021151 CCCCMR C23H43N9O7S5 717.1889 NA PeJP NA NA +PJ021152 CCCNEF C27H39N7O10S3 717.1921 NA PeJP NA NA +PJ021153 GSSCCMM C24H43N7O10S4 717.1954 NA PeJP NA NA +PJ021154 GTTCCCM C24H43N7O10S4 717.1955 NA PeJP NA NA +PJ021155 CNDDDH C25H35N9O14S 717.2025 NA PeJP NA NA +PJ021156 GCCCFW C31H39N7O7S3 717.2073 NA PeJP NA NA +PJ021157 SCCNEY C27H39N7O12S2 717.2098 NA PeJP NA NA +PJ021158 SSSTCCM C24H43N7O12S3 717.2132 NA PeJP NA NA +PJ021159 CCCKMM C25H47N7O7S5 717.2141 NA PeJP NA NA +PJ021160 GSPCCDH C26H39N9O11S2 717.2211 NA PeJP NA NA +PJ021161 GSCCYW C31H39N7O9S2 717.2251 NA PeJP NA NA +PJ021162 GSSSCDY C27H39N7O14S 717.2276 NA PeJP NA NA +PJ021163 GCNMMY C28H43N7O9S3 717.2285 NA PeJP NA NA +PJ021164 CCNNQH C25H39N11O10S2 717.2323 NA PeJP NA NA +PJ021165 SNDDMH C26H39N9O13S 717.2388 NA PeJP NA NA +PJ021166 ACCCRY C27H43N9O8S3 717.2397 NA PeJP NA NA +PJ021167 GCNDFY C31H39N7O11S 717.2429 NA PeJP NA NA +PJ021168 PNDDEE C27H39N7O16 717.2454 NA PeJP NA NA +PJ021169 SSCQMY C28H43N7O11S2 717.2462 NA PeJP NA NA +PJ021170 DEEYY C32H39N5O14 717.2494 NA PeJP NA NA +PJ021171 GSSCNNH C25H39N11O12S 717.2501 NA PeJP NA NA +PJ021172 PCCCHR C26H43N11O7S3 717.2509 NA PeJP NA NA +PJ021173 GSCEHW C30H39N9O10S 717.2541 NA PeJP NA NA +PJ021174 GSSSDEH C26H39N9O15 717.2566 NA PeJP NA NA +PJ021175 SSCCRY C27H43N9O10S2 717.2574 NA PeJP NA NA +PJ021176 GNEMMH C27H43N9O10S2 717.2575 NA PeJP NA NA +PJ021177 GPDDEW C31H39N7O13 717.2606 NA PeJP NA NA +PJ021178 GCNMFF C32H43N7O8S2 717.2615 NA PeJP NA NA +PJ021179 GSSSSMY C28H43N7O13S 717.264 NA PeJP NA NA +PJ021180 ACCKMY C29H47N7O8S3 717.2649 NA PeJP NA NA +PJ021181 NNNNNE C25H39N11O14 717.2678 NA PeJP NA NA +PJ021182 GGGGGGGGNE C25H39N11O14 717.2679 NA PeJP NA NA +PJ021183 EEMFY C33H43N5O11S 717.268 NA PeJP NA NA +PJ021184 GCDMHR C26H43N11O9S2 717.2687 NA PeJP NA NA +PJ021185 SCHWW C34H39N9O7S 717.2693 NA PeJP NA NA +HMDB12177 5-Methyltetrahydropteroyltri-L-glutamate C30H39N9O12 717.27179 NA HMDB2010 NA NA +C04489 5-Methyltetrahydropteroyltri-L-glutamate C30H39N9O12 717.2718 NA KEGG NA NA +PJ021186 SSSDHW C30H39N9O12 717.2718 NA PeJP NA NA +PJ021187 GNDEHF C30H39N9O12 717.2719 NA PeJP NA NA +PJ021188 NMMHW C31H43N9O7S2 717.2727 NA PeJP NA NA +PJ021189 SSQEMH C27H43N9O12S 717.2752 NA PeJP NA NA +PJ021190 PDDWW C35H39N7O10 717.2759 NA PeJP NA NA +PJ021191 PCCKMH C28H47N9O7S3 717.2761 NA PeJP NA NA +PJ021192 GCQHHH C28H39N13O8S 717.2766 NA PeJP NA NA +MJ091815 19-Hydroxyingol; 19-(3-Pyridinecarbonyl), 8-benzoyl, 3,7,12-tri-Ac C39H43NO12 717.278525 NA MeJP NA NA +MJ091816 Adriamycin; N-Benzyl, 14-pentanoyl C39H43NO12 717.278525 NA MeJP NA NA +PJ021193 SPPCEW C32H43N7O10S 717.2792 NA PeJP NA NA +PJ021194 SSSSSTY C28H43N7O15 717.2817 NA PeJP NA NA +PJ021195 GSPLDDD C28H43N7O15 717.2818 NA PeJP NA NA +PJ021196 SSCKMY C29H47N7O10S2 717.2826 NA PeJP NA NA +PJ021197 GNNNNW C29H39N11O11 717.2831 NA PeJP NA NA +PJ021198 SSCEHR C26H43N11O11S 717.2864 NA PeJP NA NA +PJ021199 PCNNDR C26H43N11O11S 717.2865 NA PeJP NA NA +PJ021200 NDHFW C34H39N9O9 717.2871 NA PeJP NA NA +PJ021201 GSTMHW C31H43N9O9S 717.2905 NA PeJP NA NA +MJ091817 Antibiotic SF 2111B C27H43N9O14 717.292947 NA MeJP NA NA +PJ021202 SPDDER C27H43N9O14 717.293 NA PeJP NA NA +PJ021203 ATQMMH C28H47N9O9S2 717.2938 NA PeJP NA NA +PJ021204 PPCDMR C28H47N9O9S2 717.2939 NA PeJP NA NA +PJ021205 SSNHHH C28H39N13O10 717.2943 NA PeJP NA NA +PJ021206 GPTEEW C32H43N7O12 717.297 NA PeJP NA NA +MJ091818 Naphthoquinomycin B C40H47NO9S 717.297152 NA MeJP NA NA +PJ021207 GPPMMW C33H47N7O7S2 717.2979 NA PeJP NA NA +PJ021208 PVNEEM C29H47N7O12S 717.3004 NA PeJP NA NA +PJ021209 PEFYY C37H43N5O10 717.301 NA PeJP NA NA +PJ021210 PPCQHH C30H43N11O8S 717.3017 NA PeJP NA NA +MJ091819 Maytansine; N,N2'-Di-de-Me, N2'-de-Ac, N2'-(2,3-dimethylcyclopropylcarbonyl) C36H48ClN3O10 717.302822 NA MeJP NA NA +PJ021211 GNNEER C26H43N11O13 717.3042 NA PeJP NA NA +PJ021212 LEMYY C34H47N5O10S 717.3044 NA PeJP NA NA +PJ021213 GSMMHR C27H47N11O8S2 717.3051 NA PeJP NA NA +PJ021214 MHHFF C35H43N9O6S 717.3057 NA PeJP NA NA +3279 NA ACRGDGWCG 717.3069 celiac toxic Inhouse_peptide NA peptide +PJ021215 SSTTHW C31H43N9O11 717.3082 NA PeJP NA NA +PJ021216 GGGGGVEW C31H43N9O11 717.3083 NA PeJP NA NA +PJ021217 GPEEMR C28H47N9O11S 717.3116 NA PeJP NA NA +PJ021218 PTEWW C36H43N7O9 717.3122 NA PeJP NA NA +PJ021219 GPPDFW C36H43N7O9 717.3123 NA PeJP NA NA +PJ021220 GCKHHH C29H43N13O7S 717.313 NA PeJP NA NA +PJ021221 SNNNNR C25H43N13O12 717.3154 NA PeJP NA NA +PJ021222 GGGGSNNR C25H43N13O12 717.3155 NA PeJP NA NA +PJ021223 GPVEMW C33H47N7O9S 717.3156 NA PeJP NA NA +PJ021224 SPKEEE C29H47N7O14 717.3181 NA PeJP NA NA +PJ021225 PPDKMM C30H51N7O9S2 717.319 NA PeJP NA NA +PJ021226 NNERW C30H43N11O10 717.3195 NA PeJP NA NA +PJ021227 SSTMHR C27H47N11O10S 717.3228 NA PeJP NA NA +PJ021228 GGGGSPMR C27H47N11O10S 717.3229 NA PeJP NA NA +PJ021229 AQQWW C35H43N9O8 717.3235 NA PeJP NA NA +PJ021230 PEMRW C32H47N9O8S 717.3269 NA PeJP NA NA +PJ021231 SSSSTLH C28H47N9O13 717.3293 NA PeJP NA NA +PJ021232 GVEEER C28H47N9O13 717.3294 NA PeJP NA NA +PJ021233 SPPMMR C29H51N9O8S2 717.3302 NA PeJP NA NA +PJ021234 GPDHHR C29H43N13O9 717.3307 NA PeJP NA NA +PJ021235 PVMWW C37H47N7O6S 717.3309 NA PeJP NA NA +PJ021236 AALEEW C33H47N7O11 717.3334 NA PeJP NA NA +PJ021237 GNRWW C34H43N11O7 717.3347 NA PeJP NA NA +PJ021238 SSSPPLM C30H51N7O11S 717.3367 NA PeJP NA NA +PJ021239 PVDKEM C30H51N7O11S 717.3368 NA PeJP NA NA +PJ021240 PLYYY C38H47N5O9 717.3374 NA PeJP NA NA +PJ021241 QMHFR C31H47N11O7S 717.3381 NA PeJP NA NA +PJ021242 EEERR C27H47N11O12 717.3406 NA PeJP NA NA +PJ021243 VEERW C32H47N9O10 717.3446 NA PeJP NA NA +PJ021244 SPVEMR C29H51N9O10S 717.348 NA PeJP NA NA +PJ021245 VVEWW C37H47N7O8 717.3486 NA PeJP NA NA +PJ021246 CHFRR C30H47N13O6S 717.3493 NA PeJP NA NA +PJ021247 GSNERR C26H47N13O11 717.3518 NA PeJP NA NA +PJ021248 APTLMW C34H51N7O8S 717.352 NA PeJP NA NA +PJ021249 ALKEEE C30H51N7O13 717.3545 NA PeJP NA NA +PJ021250 PVLQMM C31H55N7O8S2 717.3554 NA PeJP NA NA +PJ021251 NDKRW C31H47N11O9 717.3558 NA PeJP NA NA +PJ021252 GGDKRW C31H47N11O9 717.3559 NA PeJP NA NA +PJ021253 GVQQMR C28H51N11O9S 717.3592 NA PeJP NA NA +PJ021254 AQKWW C36H47N9O7 717.3599 NA PeJP NA NA +PJ021255 APPMFR C33H51N9O7S 717.3632 NA PeJP NA NA +PJ021256 GPCKKW C33H51N9O7S 717.3633 NA PeJP NA NA +PJ021257 ATLEER C29H51N9O12 717.3657 NA PeJP NA NA +PJ021258 GQKKEE C29H51N9O12 717.3658 NA PeJP NA NA +PJ021259 APLMMR C30H55N9O7S2 717.3666 NA PeJP NA NA +PJ021260 SNRRW C30H47N13O8 717.3671 NA PeJP NA NA +PJ021261 GTLLEW C34H51N7O10 717.3698 NA PeJP NA NA +PJ021262 QQMRR C27H51N13O8S 717.3705 NA PeJP NA NA +PJ021263 PTLKEM C31H55N7O10S 717.3731 NA PeJP NA NA +PJ021264 GGVLLEM C31H55N7O10S 717.3732 NA PeJP NA NA +PJ021265 LLFYY C39H51N5O8 717.3738 NA PeJP NA NA +PJ021266 KMHFR C32H51N11O6S 717.3745 NA PeJP NA NA +PJ021267 GTQKER C28H51N11O11 717.377 NA PeJP NA NA +PJ021268 QKKEW C33H51N9O9 717.381 NA PeJP NA NA +PJ021269 CQRRR C26H51N15O7S 717.3817 NA PeJP NA NA +PJ021270 GLLEMR C30H55N9O9S 717.3844 NA PeJP NA NA +PJ021271 TLLWW C38H51N7O7 717.385 NA PeJP NA NA +PJ021272 GSDKRR C27H51N13O10 717.3882 NA PeJP NA NA +PJ021273 GVLLMW C35H55N7O7S 717.3884 NA PeJP NA NA +PJ021274 SLLKEE C31H55N7O12 717.3909 NA PeJP NA NA +PJ021275 PVLKMM C32H59N7O7S2 717.3918 NA PeJP NA NA +PJ021276 TQKRW C32H51N11O8 717.3922 NA PeJP NA NA +PJ021277 GAALLHH C32H51N11O8 717.3923 NA PeJP NA NA +PJ021278 GVQKMR C29H55N11O8S 717.3956 NA PeJP NA NA +PJ021279 AKKWW C37H51N9O6 717.3963 NA PeJP NA NA +PJ021280 GSSRRR C26H51N15O9 717.3995 NA PeJP NA NA +PJ021281 LLMRW C34H55N9O6S 717.3996 NA PeJP NA NA +PJ021282 STLLER C30H55N9O11 717.4021 NA PeJP NA NA +PJ021283 GVLHHR C31H51N13O7 717.4035 NA PeJP NA NA +PJ021284 SSLLLW C35H55N7O9 717.4061 NA PeJP NA NA +PJ021285 VVTTLW C35H55N7O9 717.4062 NA PeJP NA NA +PJ021286 QKMRR C28H55N13O7S 717.4068 NA PeJP NA NA +PJ021287 GAKMRR C28H55N13O7S 717.4069 NA PeJP NA NA +MJ091820 Germine; O3-Angeloyl, O15-(R)-2-methylbutanoyl, O7-Ac C39H59NO11 717.408811 NA MeJP NA NA +PJ021288 VVLKEM C32H59N7O9S 717.4095 NA PeJP NA NA +PJ021289 GTKKER C29H55N11O10 717.4134 NA PeJP NA NA +PJ021290 LHHRR C30H51N15O6 717.4147 NA PeJP NA NA +PJ021291 KKKEW C34H55N9O8 717.4174 NA PeJP NA NA +PJ021292 CKRRR C27H55N15O6S 717.4181 NA PeJP NA NA +PJ021293 SVLLMR C31H59N9O8S 717.4208 NA PeJP NA NA +PJ021294 GTTKRR C28H55N13O9 717.4246 NA PeJP NA NA +PJ021295 GTTTLLL C32H59N7O11 717.4273 NA PeJP NA NA +PJ021296 TKKRW C33H55N11O7 717.4286 NA PeJP NA NA +PJ021297 GVKKMR C30H59N11O7S 717.432 NA PeJP NA NA +3887 temporin D LLPIVGNLLNSLLG 717.4339 MH2+ Inhouse_peptide NA peptide +3889 temporin E VLPIIGNLLNSLLG 717.4339 MH2+ Inhouse_peptide NA peptide +PJ021298 SVKKKE C31H59N9O10 717.4385 NA PeJP NA NA +PJ021299 PVVLKY C36H59N7O8 717.4425 NA PeJP NA NA +PJ021300 GGVLLLF C36H59N7O8 717.4426 NA PeJP NA NA +PJ021301 KKMRR C29H59N13O6S 717.4432 NA PeJP NA NA +MJ091821 Spinosyn; Spinosyn A, 2'-O-De-Me C40H63NO10 717.445197 NA MeJP NA NA +MJ091822 Spinosyn; Spinosyn A, 3'-O-De-Me C40H63NO10 717.445197 NA MeJP NA NA +MJ091823 Spinosyn; Spinosyn A, 4'-O-De-Me C40H63NO10 717.445197 NA MeJP NA NA +MJ091824 Spinosyn; Spinosyn D, 2',4'-Di-O-de-Me C40H63NO10 717.445197 NA MeJP NA NA +MJ091825 Spinosyn; Spinosyn D, 3',4'-Di-O-de-Me C40H63NO10 717.445197 NA MeJP NA NA +MJ091826 Spinosyn; Spinosyn D, O3',N-Di-de-Me C40H63NO10 717.445197 NA MeJP NA NA +MJ091827 Spinosyn; Spinosyn E C40H63NO10 717.445197 NA MeJP NA NA +MJ091828 Spinosyn; Spinosyn F C40H63NO10 717.445197 NA MeJP NA NA +C11055 Spinosyn B C40H63NO10 717.4452 NA KEGG NA NA +C15706 Spinosyn H C40H63NO10 717.4452 NA KEGG NA NA +C15707 Spinosyn J C40H63NO10 717.4452 NA KEGG NA NA +C15708 Spinosyn K C40H63NO10 717.4452 NA KEGG NA NA +PJ021302 TLLLKM C33H63N7O8S 717.4459 NA PeJP NA NA +PJ021303 SSLKKR C30H59N11O9 717.4497 NA PeJP NA NA +PJ021304 GLLLFR C35H59N9O7 717.4538 NA PeJP NA NA +EUR541 14 :0 PE F2 F2 717.454125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR541 14 :0 PE F2 NA 717.454125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR541 14 :0 PE F2 F2 717.454125 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR541 14 :0 PE F2 NA 717.454125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR541 14 :0 PE F2 F2 717.454125 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR541 14 :0 PE F2 NA 717.454125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR541 14 :0 PE F2 F2 717.454125 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR541 14 :0 PE F2 F2 717.454125 standards wishlist analysés sur QTOF HMDB NA NA +EUR541 14 :0 PE F2 F2 717.454125 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR541 14 :0 PE F2 NA 717.454125 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR541 14 :0 PE F2 F2 717.454125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR541 14 :0 PE F2 F2 717.454125 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +PJ021305 ALKKKM C32H63N9O7S 717.4572 NA PeJP NA NA +C06653 Erythromycin B C37H67NO12 717.4663 NA KEGG NA NA +MJ091829 Erythromycin B C37H67NO12 717.466326 NA MeJP NA NA +MJ091830 Erythromycin; 12-Deoxy C37H67NO12 717.466326 NA MeJP NA NA +PJ021306 TTLKKK C32H63N9O9 717.4749 NA PeJP NA NA +PJ021307 VVLLKF C37H63N7O7 717.4789 NA PeJP NA NA +HMDB05320 GPEtn(16:0/18:1(9Z)) C39H76NO8P 717.53082 http://www.hmdb.ca/metabolites/HMDB05320 HMDB NA NA +HMDB05329 GPEtn(18:0/18:1(11Z)) C39H76NO8P 717.53082 http://www.hmdb.ca/metabolites/HMDB05329 HMDB NA NA +HMDB05344 GPEtn(18:1(9Z)/16:0) C39H76NO8P 717.53082 http://www.hmdb.ca/metabolites/HMDB05344 HMDB NA NA +HMDB05320 GPEtn(16:0/18:1(9Z)) C39H76NO8P 717.53082 HMDB05320 PFEM_hmdb_metabocards_official NA NA +HMDB05329 GPEtn(18:0/18:1(11Z)) C39H76NO8P 717.53082 HMDB05329 PFEM_hmdb_metabocards_official NA NA +HMDB05344 GPEtn(18:1(9Z)/16:0) C39H76NO8P 717.53082 HMDB05344 PFEM_hmdb_metabocards_official NA NA +EUR931 PC 32:1 [M-H-CH3]- C40H78NO8P 717.530857 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR931 PC 32:1 [M-H-CH3]- C40H78NO8P 717.530857 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR931 PC 32:1 [M-H-CH3]- C40H78NO8P 717.530857 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR931 PC 32:1 [M-H-CH3]- C40H78NO8P 717.530857 masses lipides attendues Inhousejuil11 NA NA +HMDB07936 PC(15:0/16:1(9Z)) C39H76NO8P 717.530884 NA HMDB2010 NA NA +HMDB08000 PC(16:1(9Z)/15:0) C39H76NO8P 717.530884 NA HMDB2010 NA NA +HMDB08834 PE(14:0/20:1(11Z)) C39H76NO8P 717.530884 NA HMDB2010 NA NA +HMDB08866 PE(14:1(9Z)/20:0) C39H76NO8P 717.530884 NA HMDB2010 NA NA +HMDB08926 PE(16:0/18:1(11Z)) C39H76NO8P 717.530884 NA HMDB2010 NA NA +HMDB08927 PE(16:0/18:1(9Z)) C39H76NO8P 717.530884 NA HMDB2010 NA NA +HMDB08958 PE(16:1(9Z)/18:0) C39H76NO8P 717.530884 NA HMDB2010 NA NA +HMDB08990 PE(18:0/16:1(9Z)) C39H76NO8P 717.530884 NA HMDB2010 NA NA +HMDB09022 PE(18:1(11Z)/16:0) C39H76NO8P 717.530884 NA HMDB2010 NA NA +HMDB09055 PE(18:1(9Z)/16:0) C39H76NO8P 717.530884 NA HMDB2010 NA NA +HMDB09218 PE(20:0/14:1(9Z)) C39H76NO8P 717.530884 NA HMDB2010 NA NA +HMDB09250 PE(20:1(11Z)/14:0) C39H76NO8P 717.530884 NA HMDB2010 NA NA +C13877 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine C39H76NO8P 717.5309 NA KEGG NA NA +HMDB07896 PC(14:0/P-18:0) C40H80NO7P 717.567261 NA HMDB2010 NA NA +HMDB07994 PC(16:0/P-16:0) C40H80NO7P 717.567261 NA HMDB2010 NA NA +HMDB11206 PC(P-16:0/16:0) C40H80NO7P 717.567261 NA HMDB2010 NA NA +HMDB11236 PC(P-18:0/14:0) C40H80NO7P 717.567261 NA HMDB2010 NA NA +HMDB13404 PC(o-16:0/16:1(9Z)) C40H80NO7P 717.567261 NA HMDB2010 NA NA +EUR1076 SM(d18:1/18:0) [M-H-CH3]- C41H84N2O6P 717.591051 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1076 SM(d18:1/18:0) [M-H-CH3]- C41H84N2O6P 717.591051 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1076 SM(d18:1/18:0) [M-H-CH3]- C41H84N2O6P 717.591051 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1076 SM(d18:1/18:0) [M-H-CH3]- C41H84N2O6P 717.591051 masses lipides attendues Inhousejuil11 NA NA +PJ021308 GCCCCCQ C22H38N8O9S5 718.1366 NA PeJP NA NA +MJ091831 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxy-4-(2,4,6-trihydroxyphenyl)flavan, 5''-Hydroxy C36H30O16 718.153384 NA MeJP NA NA +MJ091832 Lithospermic acid B C36H30O16 718.153384 NA MeJP NA NA +MJ091833 Morelloflavone, 7''-O-?-D-Glucopyranoside C36H30O16 718.153384 NA MeJP NA NA +MJ091834 Rabdosiin C36H30O16 718.153384 NA MeJP NA NA +MJ091835 Salvianolic acid B C36H30O16 718.153384 NA MeJP NA NA +MJ091836 Salvianolic acid E C36H30O16 718.153384 NA MeJP NA NA +PJ021309 SSCCCCN C22H38N8O11S4 718.1543 NA PeJP NA NA +PJ021310 CCCEMM C24H42N6O9S5 718.1617 NA PeJP NA NA +PJ021311 GCCCCCK C23H42N8O8S5 718.1729 NA PeJP NA NA +PJ021312 CCCDEF C27H38N6O11S3 718.1761 NA PeJP NA NA +MJ091837 Phytosulfokine ? C28H38N4O14S2 718.182593 NA MeJP NA NA +PJ021313 CDDDDH C25H34N8O15S 718.1865 NA PeJP NA NA +PJ021314 CCCNNY C26H38N8O10S3 718.1873 NA PeJP NA NA +PJ021315 SCCDEY C27H38N6O13S2 718.1938 NA PeJP NA NA +PJ021316 TCCDDY C27H38N6O13S2 718.1939 NA PeJP NA NA +PJ021317 PCCCMY C28H42N6O8S4 718.1947 NA PeJP NA NA +PJ021318 TCCMMM C25H46N6O8S5 718.1981 NA PeJP NA NA +MJ091838 Oleuropein; 10-Hydroxy, 6'-(3,4-dihydroxy-E-cinnamoyl) C34H38O17 718.210899 NA MeJP NA NA +PJ021319 GCDMMY C28H42N6O10S3 718.2125 NA PeJP NA NA +PJ021320 CCNNEH C25H38N10O11S2 718.2163 NA PeJP NA NA +PJ021321 SCDEEH C26H38N8O14S 718.2228 NA PeJP NA NA +PJ021322 SDDDMH C26H38N8O14S 718.2229 NA PeJP NA NA +PJ021323 PCCEMH C27H42N8O9S3 718.2237 NA PeJP NA NA +MJ091839 Julichrome Q6.6; 10,10'-Dihydroxy C38H38O14 718.226155 NA MeJP NA NA +PJ021324 GCDDFY C31H38N6O12S 718.2269 NA PeJP NA NA +PJ021325 PCCCFF C32H42N6O7S3 718.2277 NA PeJP NA NA +PJ021326 PDDDEE C27H38N6O17 718.2294 NA PeJP NA NA +PJ021327 SSCEMY C28H42N6O12S2 718.2302 NA PeJP NA NA +PJ021328 GCMMMF C29H46N6O7S4 718.2311 NA PeJP NA NA +PJ021329 GCCNHW C29H38N10O8S2 718.2316 NA PeJP NA NA +MJ091840 Argylioside; 7,8-Didehydro, 10-hydroxy C31H42O19 718.232029 NA MeJP NA NA +MJ091841 Oleuropein; 10-Hydroxy, 4'-?-D-glucopyranosyl C31H42O19 718.232029 NA MeJP NA NA +MJ091842 Wahlenoside B C31H42O19 718.232029 NA MeJP NA NA +PJ021330 GSSCNDH C25H38N10O13S 718.2341 NA PeJP NA NA +PJ021331 GSPNDDD C26H38N8O16 718.2406 NA PeJP NA NA +PJ021332 GDEMMH C27H42N8O11S2 718.2415 NA PeJP NA NA +PJ021333 GSDDYY C31H38N6O14 718.2446 NA PeJP NA NA +PJ021334 APCCYY C32H42N6O9S2 718.2455 NA PeJP NA NA +FL5FABGI0017 Sagittatoside C C35H42O16 718.24728 118525-37-4 knapsack NA NA +FL5FABGI0018 Epimedokoreanoside II C35H42O16 718.24728 130756-12-6 knapsack NA NA +MJ091843 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8,9-Bis(3-furancarbonyl), 14-(2-methylpropanoyl), 1,2,6-tri-Ac C35H42O16 718.247285 NA MeJP NA NA +MJ091844 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-3-O-acetyl-?-L-rhamnopyranoside] C35H42O16 718.247285 NA MeJP NA NA +MJ091845 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside] C35H42O16 718.247285 NA MeJP NA NA +MJ091846 Aloesinol, 4''-?-D-Glucopyranosyl, 7-Me ether, 2''-O-(4-hydroxycinnamoyl)(E-) C35H42O16 718.247285 NA MeJP NA NA +MJ091847 Aloesinol, 4''-?-D-Glucopyranosyl, 7-Me ether, 2''-O-(4-hydroxycinnamoyl)(Z-) C35H42O16 718.247285 NA MeJP NA NA +MJ091848 EP5 C35H42O16 718.247285 NA MeJP NA NA +MJ091849 Diisodityrosine C36H38N4O12 718.248622 NA MeJP NA NA +PJ021335 GSMMMY C29H46N6O9S3 718.2489 NA PeJP NA NA +PJ021336 NNNNDE C25H38N10O15 718.2518 NA PeJP NA NA +PJ021337 GGGGNNDE C25H38N10O15 718.2519 NA PeJP NA NA +PJ021338 SCNQMH C26H42N10O10S2 718.2527 NA PeJP NA NA +PJ021339 GDDEHF C30H38N8O13 718.2559 NA PeJP NA NA +PJ021340 DMMHW C31H42N8O8S2 718.2567 NA PeJP NA NA +PJ021341 SSEEMH C27H42N8O13S 718.2592 NA PeJP NA NA +PJ021342 GGGGPDEM C27H42N8O13S 718.2593 NA PeJP NA NA +PJ021343 PTCMMH C28H46N8O8S3 718.2601 NA PeJP NA NA +PJ021344 GCEHHH C28H38N12O9S 718.2606 NA PeJP NA NA +PJ021345 NEMYY C32H42N6O11S 718.2632 NA PeJP NA NA +PJ021346 GGEMYY C32H42N6O11S 718.2633 NA PeJP NA NA +PJ021347 SCCNHR C25H42N12O9S2 718.2639 NA PeJP NA NA +PJ021348 GGSCCHR C25H42N12O9S2 718.264 NA PeJP NA NA +PJ021349 SPEEEE C28H42N6O16 718.2658 NA PeJP NA NA +PJ021350 SSTMMY C29H46N6O11S2 718.2666 NA PeJP NA NA +PJ021351 GNNNDW C29H38N10O12 718.2671 NA PeJP NA NA +MJ091850 3,6-Dihydroxycholesta-9(11),17(20),24-trien-23-one, 6-O-(4-O-Sulfo-6-deoxy-?-D-glucopyranoside), 3-sulfate C33H50O13S2 718.269283 NA MeJP NA NA +PJ021352 PCNDDR C26H42N10O12S 718.2705 NA PeJP NA NA +PJ021353 DDHFW C34H38N8O10 718.2711 NA PeJP NA NA +PJ021354 GPNDMW C31H42N8O10S 718.2745 NA PeJP NA NA +PJ021355 CHHHW C32H38N12O6S 718.2758 NA PeJP NA NA +PJ021356 GQQEEE C27H42N8O15 718.277 NA PeJP NA NA +PJ021357 ATEMMH C28H46N8O10S2 718.2779 NA PeJP NA NA +PJ021358 SSDHHH C28H38N12O11 718.2783 NA PeJP NA NA +PJ021359 GMYYW C36H42N6O8S 718.2785 NA PeJP NA NA +PJ021360 GSTEYY C32H42N6O13 718.281 NA PeJP NA NA +PJ021361 QMMFY C33H46N6O8S2 718.2819 NA PeJP NA NA +MJ091851 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1-Cinnamoyl, 9-(2-hydroxy-2-methylpropanoyl), 2,6,8,14-tetra-Ac C36H46O15 718.28367 NA MeJP NA NA +MJ091852 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 4,10-di-Ac, 7-O-?-D-xylopyranoside C36H46O15 718.28367 NA MeJP NA NA +MJ091853 7,15-Dihydroxy-3,13-clerodadien-15,16-olid-18-oic acid, 15-Deoxy, 7-Ac, 18-O-[3,5-dihydroxy-4-methoxybenzoyl-(?4)-?-D-glucopyranosyl] ester C36H46O15 718.28367 NA MeJP NA NA +MJ091854 Taccalonolide B; 11-De-Ac, 11-(hydroxyacetyl), 15-Ac C36H46O15 718.28367 NA MeJP NA NA +PJ021362 PVDEEM C29H46N6O13S 718.2844 NA PeJP NA NA +PJ021363 GNNMHF C30H42N10O9S 718.2857 NA PeJP NA NA +PJ021364 GNDEER C26H42N10O14 718.2882 NA PeJP NA NA +PJ021365 GGGGGGAASE C26H42N10O14 718.2883 NA PeJP NA NA +PJ021366 GSPPCCR C27H46N10O9S2 718.2891 NA PeJP NA NA +PJ021367 PCQWW C35H42N8O7S 718.2897 NA PeJP NA NA +PJ021368 GAPCWW C35H42N8O7S 718.2898 NA PeJP NA NA +MetaCyc04074 tunicamycin [N-[2-[3-acetylamino-4,5-dihydroxy-6-(hydroxymethyl) tetrahydropyran-2-yl]oxy-6-[2-[5-[(2,4-dioxo-1H-pyrimidin-1-yl)] -3,4-dihydroxy-tetrahydrofuran-2-yl]-2-hydroxy-ethyl]-4,5- dihydroxy-tetrahydropyran-3-yl]-5-methyl-hex-2-enamide;] C30H46N4O16 718.290881 NA metacyc NA NA +PJ021369 QQEEW C31H42N8O12 718.2922 NA PeJP NA NA +PJ021370 GAQEEW C31H42N8O12 718.2923 NA PeJP NA NA +PJ021371 CMFRY C32H46N8O7S2 718.2931 NA PeJP NA NA +PJ021372 TTTEMH C28H46N8O12S 718.2956 NA PeJP NA NA +PJ021373 STYYW C36H42N6O10 718.2963 NA PeJP NA NA +PJ021374 GLMMMH C29H50N8O7S3 718.2965 NA PeJP NA NA +PJ021375 GTMHHH C29H42N12O8S 718.297 NA PeJP NA NA +MJ091855 1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 1,11-Dibenzoyl, 2,3,7-tri-Ac C40H46O12 718.298926 NA MeJP NA NA +PJ021376 SNNNDR C25H42N12O13 718.2995 NA PeJP NA NA +PJ021377 DKMYY C33H46N6O10S 718.2996 NA PeJP NA NA +MJ091856 Verteporfin C41H42N4O8 718.300264 NA MeJP NA NA +PJ021378 LLDDDE C29H46N6O15 718.3021 NA PeJP NA NA +PJ021379 ALEEEE C29H46N6O15 718.3022 NA PeJP NA NA +PJ021380 NDERW C30H42N10O11 718.3035 NA PeJP NA NA +MJ091857 Loganic acid; 7-(6R-?-D-Glucopyranosyloxy-2E,6-dimethyl-2,7-octadienoyl), Me ester C33H50O17 718.3048 NA MeJP NA NA +MJ091858 Loganic acid; 7-(6S-?-D-Glucopyranosyloxy-2E,6-dimethyl-2,7-octadienoyl), Me ester C33H50O17 718.3048 NA MeJP NA NA +PJ021381 SPNDMR C27H46N10O11S 718.3068 NA PeJP NA NA +PJ021382 GGSPDMR C27H46N10O11S 718.3069 NA PeJP NA NA +PJ021383 AQEWW C35H42N8O9 718.3075 NA PeJP NA NA +PJ021384 GPTQMW C32H46N8O9S 718.3109 NA PeJP NA NA +PJ021385 GFFYW C40H42N6O7 718.3115 NA PeJP NA NA +PJ021386 GQKEEE C28H46N8O14 718.3134 NA PeJP NA NA +PJ021387 STLMMH C29H50N8O9S2 718.3142 NA PeJP NA NA +PJ021388 GGPVQMM C29H50N8O9S2 718.3143 NA PeJP NA NA +PJ021389 STTHHH C29H42N12O10 718.3147 NA PeJP NA NA +PJ021390 QMFFF C37H46N6O7S 718.3149 NA PeJP NA NA +PJ021391 SSSLYY C33H46N6O12 718.3174 NA PeJP NA NA +PJ021392 GNNQMR C26H46N12O10S 718.3181 NA PeJP NA NA +PJ021393 KMMFY C34H50N6O7S2 718.3183 NA PeJP NA NA +PJ021394 GDRWW C34H42N10O8 718.3187 NA PeJP NA NA +PJ021395 PTLEEM C30H50N6O12S 718.3208 NA PeJP NA NA +PJ021396 PPLMMM C31H54N6O7S3 718.3216 NA PeJP NA NA +PJ021397 GPTCRW C31H46N10O8S 718.3221 NA PeJP NA NA +PJ021398 AAWWW C39H42N8O6 718.3228 NA PeJP NA NA +MJ091859 16,22-Epoxyergost-9(11)-ene-3,6,20,23-tetrol, 3-O-?-D-Glucuronopyranoside, 6-sulfate C34H54O14S 718.323427 NA MeJP NA NA +PJ021399 GTQEER C27H46N10O13 718.3246 NA PeJP NA NA +PJ021400 GPQMMR C28H50N10O8S2 718.3255 NA PeJP NA NA +PJ021401 PCKWW C36H46N8O6S 718.3261 NA PeJP NA NA +PJ021402 QKEEW C32H46N8O11 718.3286 NA PeJP NA NA +PJ021403 GGGGPVEF C32H46N8O11 718.3287 NA PeJP NA NA +PJ021404 GCNNRR C25H46N14O9S 718.3293 NA PeJP NA NA +PJ021405 AAHHHF C33H42N12O7 718.33 NA PeJP NA NA +PJ021406 SPQKEM C29H50N8O11S 718.332 NA PeJP NA NA +PJ021407 VQFYY C37H46N6O9 718.3326 NA PeJP NA NA +PJ021408 GGLFYY C37H46N6O9 718.3327 NA PeJP NA NA +PJ021409 ASDDRR C26H46N12O12 718.3358 NA PeJP NA NA +PJ021410 GSDERR C26H46N12O12 718.3359 NA PeJP NA NA +PJ021411 PPVEMF C34H50N6O9S 718.336 NA PeJP NA NA +PJ021412 GPCMRR C27H50N12O7S2 718.3367 NA PeJP NA NA +PJ021413 SLLEEE C30H50N6O14 718.3385 NA PeJP NA NA +PJ021414 PVLEMM C31H54N6O9S2 718.3394 NA PeJP NA NA +PJ021415 TQERW C31H46N10O10 718.3399 NA PeJP NA NA +PJ021416 GVQEMR C28H50N10O10S 718.3432 NA PeJP NA NA +PJ021417 GGALDMR C28H50N10O10S 718.3433 NA PeJP NA NA +PJ021418 AKEWW C36H46N8O8 718.3439 NA PeJP NA NA +MJ091860 Kidamycin F0 C40H50N2O10 718.346545 NA MeJP NA NA +PJ021419 GPTKMW C33H50N8O8S 718.3473 NA PeJP NA NA +PJ021420 SSSPTLQ C29H50N8O13 718.3497 NA PeJP NA NA +PJ021421 GKKEEE C29H50N8O13 718.3498 NA PeJP NA NA +PJ021422 PVNKMM C30H54N8O8S2 718.3506 NA PeJP NA NA +PJ021423 SDRRW C30H46N12O9 718.3511 NA PeJP NA NA +PJ021424 KMFFF C38H50N6O6S 718.3513 NA PeJP NA NA +MJ091861 Nordine C46H46N4O4 718.351905 NA MeJP NA NA +PJ021425 PPTLEY C34H50N6O11 718.3538 NA PeJP NA NA +PJ021426 QEMRR C27H50N12O9S 718.3545 NA PeJP NA NA +PJ021427 ATRWW C35H46N10O7 718.3551 NA PeJP NA NA +MJ091862 2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione, 25-Ac, 2-O-?-D-glucopyranoside C38H54O13 718.356441 NA MeJP NA NA +PJ021428 VVLEEM C31H54N6O11S 718.3572 NA PeJP NA NA +PJ021429 VQMRW C32H50N10O7S 718.3585 NA PeJP NA NA +PJ021430 GTKEER C28H50N10O12 718.361 NA PeJP NA NA +MJ091863 Reticulatine A C44H50N2O7 718.361801 NA MeJP NA NA +PJ021431 GPKMMR C29H54N10O7S2 718.3619 NA PeJP NA NA +PJ021432 AAQHHR C29H46N14O8 718.3623 NA PeJP NA NA +PJ021433 GGGVHHR C29H46N14O8 718.3624 NA PeJP NA NA +PJ021434 KKEEW C33H50N8O10 718.365 NA PeJP NA NA +PJ021435 CERRR C26H50N14O8S 718.3657 NA PeJP NA NA +PJ021436 SPKKEM C30H54N8O10S 718.3684 NA PeJP NA NA +PJ021437 VKFYY C38H50N6O8 718.369 NA PeJP NA NA +MJ091864 Antibiotic A 54556; Antibiotic A 54556A C38H50N6O8 718.369012 NA MeJP NA NA +PJ021438 AMRRW C31H50N12O6S 718.3697 NA PeJP NA NA +PJ021439 GTTERR C27H50N12O11 718.3722 NA PeJP NA NA +PJ021440 PPVLMY C35H54N6O8S 718.3724 NA PeJP NA NA +C09254 Vobtusine C43H50N4O6 718.373 NA KEGG NA NA +MJ091865 Conodurine; 3-Oxo C43H50N4O6 718.373035 NA MeJP NA NA +MJ091866 Vincarubine C43H50N4O6 718.373035 NA MeJP NA NA +PJ021441 NHHRR C28H46N16O7 718.3736 NA PeJP NA NA +PJ021442 TKERW C32H50N10O9 718.3762 NA PeJP NA NA +PJ021443 GSTLRW C32H50N10O9 718.3763 NA PeJP NA NA +PJ021444 GVKEMR C29H54N10O9S 718.3796 NA PeJP NA NA +PJ021445 SLKWW C37H50N8O7 718.3803 NA PeJP NA NA +PJ021446 AALKMW C34H54N8O7S 718.3837 NA PeJP NA NA +PJ021447 SVKKEE C30H54N8O12 718.3861 NA PeJP NA NA +PJ021448 VTDKKE C30H54N8O12 718.3862 NA PeJP NA NA +PJ021449 PCLKKM C31H58N8O7S2 718.387 NA PeJP NA NA +7555 ACE inhibitor from soybean PGTAVFK 718.387 antioxidative Inhouse_peptide NA peptide +PJ021450 TTRRW C31H50N12O8 718.3875 NA PeJP NA NA +7738 NA IAYKPE~ 718.388 antioxidative Inhouse_peptide NA peptide +PJ021451 PVVLEY C35H54N6O10 718.3902 NA PeJP NA NA +PJ021452 KEMRR C28H54N12O8S 718.3909 NA PeJP NA NA +PJ021453 LHFFR C36H50N10O6 718.3915 NA PeJP NA NA +PJ021454 TLLLEM C32H58N6O10S 718.3935 NA PeJP NA NA +PJ021455 VKMRW C33H54N10O6S 718.3949 NA PeJP NA NA +MJ091867 3,16,20,28-Lupanetetrol, 3-O-(2-O-Sulfo-?-D-glucopyranoside) C36H62O12S 718.396198 NA MeJP NA NA +MJ091868 3,20,21,28-Lupanetetrol, 3-O-(2-O-Sulfato-?-D-glucopyranoside) C36H62O12S 718.396198 NA MeJP NA NA +PJ021456 SSLKER C29H54N10O11 718.3974 NA PeJP NA NA +PJ021457 GPPHRR C30H50N14O7 718.3987 NA PeJP NA NA +PJ021458 ATTLKW C34H54N8O9 718.4014 NA PeJP NA NA +PJ021459 TMRRR C27H54N14O7S 718.4021 NA PeJP NA NA +PJ021460 ALKKEM C31H58N8O9S 718.4048 NA PeJP NA NA +PJ021461 PPVLFF C39H54N6O7 718.4054 NA PeJP NA NA +PJ021462 SSTLRR C28H54N12O10 718.4086 NA PeJP NA NA +PJ021463 PVLLMF C36H58N6O7S 718.4088 NA PeJP NA NA +MJ091869 Alstomacrophylline C44H54N4O5 718.40942 NA MeJP NA NA +MJ091870 Ervahainamidine A C44H54N4O5 718.40942 NA MeJP NA NA +MJ091871 Ervahainamidine B C44H54N4O5 718.40942 NA MeJP NA NA +MJ091872 Macralstonine; Me ether C44H54N4O5 718.40942 NA MeJP NA NA +PJ021464 VLLLMM C33H62N6O7S2 718.4122 NA PeJP NA NA +PJ021465 GPVKRY C33H54N10O8 718.4126 NA PeJP NA NA +PJ021466 GGGLLFR C33H54N10O8 718.4127 NA PeJP NA NA +PJ021467 ATLKMR C30H58N10O8S 718.416 NA PeJP NA NA +MJ091873 Incarvillateine C42H58N2O8 718.419316 NA MeJP NA NA +PJ021468 TTLKKE C31H58N8O11 718.4225 NA PeJP NA NA +PJ021469 PKRRY C32H54N12O7 718.4239 NA PeJP NA NA +PJ021470 PTLLLY C36H58N6O9 718.4266 NA PeJP NA NA +PJ021471 GCKKKR C29H58N12O7S 718.4273 NA PeJP NA NA +PJ021472 TTTLKR C30H58N10O10 718.4338 NA PeJP NA NA +PJ021473 APLKKY C35H58N8O8 718.4378 NA PeJP NA NA +PJ021474 SLLKKM C32H62N8O8S 718.4412 NA PeJP NA NA +PJ021475 GVLKFR C34H58N10O7 718.449 NA PeJP NA NA +PJ021476 GKKKKM C31H62N10O7S 718.4524 NA PeJP NA NA +PJ021477 LKFRR C33H58N12O6 718.4603 NA PeJP NA NA +PJ021478 VVLLLY C37H62N6O8 718.4629 NA PeJP NA NA +MJ091874 21,23-Epoxy-4,7,11-trihydroxy-3,4-secoapotirucalla-14,24-dien-3-oic acid, 7-(2R-Hydroxy-3-methylbutanoyl), 11-(2R-hydroxy-3R-methylpentanoyl) C41H66O10 718.465598 NA MeJP NA NA +PJ021479 STKKKK C31H62N10O9 718.4701 NA PeJP NA NA +PJ021480 ALLKKF C36H62N8O7 718.4742 NA PeJP NA NA +HMDB10586 PG(16:1(9Z)/16:1(9Z)) C38H71O10P 718.478455 NA HMDB2010 NA NA +MJ091875 2-Methyl-32,33,34,35-bacteriohopanetetrol, 35-O-(3,6-Anhydro-?-D-galacturonopyranoside) C42H70O9 718.501983 NA MeJP NA NA +HMDB07699 DG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C47H74O5 718.55365 NA HMDB2010 NA NA +HMDB07700 DG(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C47H74O5 718.55365 NA HMDB2010 NA NA +HMDB07727 DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C47H74O5 718.55365 NA HMDB2010 NA NA +HMDB07756 DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C47H74O5 718.55365 NA HMDB2010 NA NA +EUR1046 SM(d18:0/18:0) [M-H-CH3]- C41H85N2O6P 718.598876 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1046 SM(d18:0/18:0) [M-H-CH3]- C41H85N2O6P 718.598876 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1046 SM(d18:0/18:0) [M-H-CH3]- C41H85N2O6P 718.598876 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1046 SM(d18:0/18:0) [M-H-CH3]- C41H85N2O6P 718.598876 masses lipides attendues Inhousejuil11 NA NA +MJ091876 18-Hydroxy-18-pentadecyl-17-tetratriacontanone C49H98O2 718.756682 NA MeJP NA NA +MJ091877 24-Methylhexacosanoic acid; Docosyl ester C49H98O2 718.756682 NA MeJP NA NA +8253 Antioxidative peptide LEELEEELEGCE 718.7835 MH2+ Inhouse_peptide NA peptide +C02739 1-(5-Phospho-D-ribosyl)-ATP C15H25N5O20P4 719.0043 NA KEGG NA NA +MJ091878 Phosphoribosyl-ATP C15H25N5O20P4 719.004334 NA MeJP NA NA +MetaCyc04075 phosphoribosyl-ATP [1-(5-Phosphoribosyl)-ATP;N1-(5-phospho-D-ribosyl)-ATP;5-phosphoribosyl-ATP;1-(5-phospho-D-ribosyl)-ATP;] C15H25N5O20P4 719.004334 NA metacyc NA NA +PJ021481 GCCCCCE C22H37N7O10S5 719.1206 NA PeJP NA NA +PJ021482 CCCCCW C26H37N7O7S5 719.1358 NA PeJP NA NA +PJ021483 SSCCCCD C22H37N7O12S4 719.1383 NA PeJP NA NA +PJ021484 GTCCCCM C23H41N7O9S5 719.157 NA PeJP NA NA +PJ021485 CCCNDY C26H37N7O11S3 719.1713 NA PeJP NA NA +PJ021486 GGCCCDY C26H37N7O11S3 719.1714 NA PeJP NA NA +PJ021487 SSSCCCM C23H41N7O11S4 719.1747 NA PeJP NA NA +PJ021488 CCCNMF C27H41N7O8S4 719.19 NA PeJP NA NA +PJ021489 CCNDEH C25H37N9O12S2 719.2003 NA PeJP NA NA +PJ021490 GGCCDEH C25H37N9O12S2 719.2004 NA PeJP NA NA +PJ021491 SCCNMY C27H41N7O10S3 719.2077 NA PeJP NA NA +PJ021492 GCCDHW C29H37N9O9S2 719.2156 NA PeJP NA NA +PJ021493 GSSCDDH C25H37N9O14S 719.2181 NA PeJP NA NA +PJ021494 GPTCCCH C26H41N9O9S3 719.219 NA PeJP NA NA +PJ021495 GSPDDDD C26H37N7O17 719.2246 NA PeJP NA NA +PJ021496 GSSTCCY C27H41N7O12S2 719.2255 NA PeJP NA NA +PJ021497 NNNDDE C25H37N9O16 719.2359 NA PeJP NA NA +PJ021498 SCNEMH C26H41N9O11S2 719.2367 NA PeJP NA NA +PJ021499 PPCCDW C31H41N7O9S2 719.2407 NA PeJP NA NA +PJ021500 GGACCFY C31H41N7O9S2 719.2408 NA PeJP NA NA +MJ091879 Perdeacylevonine; 1,2,9,14-Tetra-Ac C34H41NO16 719.242534 NA MeJP NA NA +MJ091880 Perdeacylevonine; 1,6,9,14-Tetra-Ac C34H41NO16 719.242534 NA MeJP NA NA +PJ021501 SSSSSCY C27H41N7O14S 719.2432 NA PeJP NA NA +PJ021502 PNDDEM C27H41N7O14S 719.2433 NA PeJP NA NA +PJ021503 TCCCKY C28H45N7O9S3 719.2441 NA PeJP NA NA +PJ021504 DEMYY C32H41N5O12S 719.2473 NA PeJP NA NA +PJ021505 SCCDHR C25H41N11O10S2 719.248 NA PeJP NA NA +PJ021506 GNNDDW C29H37N9O13 719.2511 NA PeJP NA NA +PJ021507 GSCMHW C30H41N9O8S2 719.252 NA PeJP NA NA +PJ021508 PCDDDR C26H41N9O13S 719.2545 NA PeJP NA NA +PJ021509 GNMMMH C27H45N9O8S3 719.2554 NA PeJP NA NA +PJ021510 GPDDMW C31H41N7O11S 719.2585 NA PeJP NA NA +PJ021511 GQEEEE C27H41N7O16 719.261 NA PeJP NA NA +PJ021512 GSPPCEM C28H45N7O11S2 719.2619 NA PeJP NA NA +PJ021513 NNNNNM C25H41N11O12S 719.2657 NA PeJP NA NA +PJ021514 GGGGGGGGGGM C25H41N11O12S 719.2658 NA PeJP NA NA +PJ021515 EMMFY C33H45N5O9S2 719.2659 NA PeJP NA NA +PJ021516 ACCMHR C26H45N11O7S3 719.2666 NA PeJP NA NA +PJ021517 SSTCHW C30H41N9O10S 719.2697 NA PeJP NA NA +PJ021518 GGGGSPCW C30H41N9O10S 719.2698 NA PeJP NA NA +PJ021519 SSSSSEH C26H41N9O15 719.2722 NA PeJP NA NA +PJ021520 GDDEER C26H41N9O15 719.2723 NA PeJP NA NA +PJ021521 SSQMMH C27H45N9O10S2 719.2731 NA PeJP NA NA +PJ021522 PCEWW C35H41N7O8S 719.2738 NA PeJP NA NA +PJ021523 SSSNYY C31H41N7O13 719.2762 NA PeJP NA NA +PJ021524 QEEEW C31H41N7O13 719.2763 NA PeJP NA NA +PJ021525 SPPCMW C32H45N7O8S2 719.2771 NA PeJP NA NA +MJ091881 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 3-Benzoyl, 17-[[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]acetyl] C41H47Cl2NO6 719.278043 NA MeJP NA NA +PJ021526 SPQEEM C28H45N7O13S 719.2796 NA PeJP NA NA +PJ021527 PDYYY C36H41N5O11 719.2803 NA PeJP NA NA +PJ021528 PPNMMM C29H49N7O8S3 719.2805 NA PeJP NA NA +PJ021529 SNNDDR C25H41N11O14 719.2835 NA PeJP NA NA +PJ021530 SSCMHR C26H45N11O9S2 719.2843 NA PeJP NA NA +PJ021531 GGGAPCCR C26H45N11O9S2 719.2844 NA PeJP NA NA +PJ021532 CQHFW C34H41N9O7S 719.285 NA PeJP NA NA +MJ091882 Naphthomycin A C40H46ClNO9 719.286109 NA MeJP NA NA +PJ021533 DDERW C30H41N9O12 719.2875 NA PeJP NA NA +PJ021534 SPDDMR C27H45N9O12S 719.2909 NA PeJP NA NA +PJ021535 AEEWW C35H41N7O10 719.2915 NA PeJP NA NA +PJ021536 ACKMMH C28H49N9O7S3 719.2917 NA PeJP NA NA +PJ021537 GPTEMW C32H45N7O10S 719.2949 NA PeJP NA NA +PJ021538 GKEEEE C28H45N7O15 719.2974 NA PeJP NA NA +PJ021539 PVNEMM C29H49N7O10S2 719.2983 NA PeJP NA NA +PJ021540 SPNEHH C29H41N11O11 719.2987 NA PeJP NA NA +PJ021541 PMFYY C37H45N5O8S 719.2989 NA PeJP NA NA +PJ021542 GNNEMR C26H45N11O11S 719.3021 NA PeJP NA NA +PJ021543 LMMYY C34H49N5O8S2 719.3023 NA PeJP NA NA +PJ021544 SNQWW C34H41N9O9 719.3027 NA PeJP NA NA +PJ021545 GGSQWW C34H41N9O9 719.3028 NA PeJP NA NA +PJ021546 QQQMW C31H45N9O9S 719.3061 NA PeJP NA NA +PJ021547 GTEEER C27H45N9O14 719.3086 NA PeJP NA NA +PJ021548 GPEMMR C28H49N9O9S2 719.3095 NA PeJP NA NA +PJ021549 GNQQHH C28H41N13O10 719.31 NA PeJP NA NA +PJ021550 PTMWW C36H45N7O7S 719.3101 NA PeJP NA NA +PJ021551 APPCFW C36H45N7O7S 719.3102 NA PeJP NA NA +PJ021552 SPTTEW C32H45N7O12 719.3126 NA PeJP NA NA +PJ021553 KEEEW C32H45N7O12 719.3127 NA PeJP NA NA +PJ021554 GCNDRR C25H45N13O10S 719.3133 NA PeJP NA NA +PJ021555 GGGCDRR C25H45N13O10S 719.3134 NA PeJP NA NA +PJ021556 GPVMMW C33H49N7O7S2 719.3135 NA PeJP NA NA +PJ021557 GSPHHW C33H41N11O8 719.314 NA PeJP NA NA +PJ021558 SPKEEM C29H49N7O12S 719.316 NA PeJP NA NA +PJ021559 VEFYY C37H45N5O10 719.3167 NA PeJP NA NA +PJ021560 CQQRW C30H45N11O8S 719.3173 NA PeJP NA NA +PJ021561 NNMRW C30H45N11O8S 719.3174 NA PeJP NA NA +MJ091883 Maytansine; N-De-Ac, N-(2-methylpropanoyl) C36H50ClN3O10 719.318472 NA MeJP NA NA +PJ021562 SSNQER C26H45N11O13 719.3199 NA PeJP NA NA +PJ021563 PCCNKR C27H49N11O8S2 719.3207 NA PeJP NA NA +PJ021564 CKHFW C35H45N9O6S 719.3214 NA PeJP NA NA +PJ021565 TEERW C31H45N9O11 719.3239 NA PeJP NA NA +MJ091884 Antibiotic TMC 135A C39H49N3O8S 719.324036 NA MeJP NA NA +MJ091885 Antibiotic TMC 135B C39H49N3O8S 719.324036 NA MeJP NA NA +PJ021566 PMMRW C32H49N9O6S2 719.3248 NA PeJP NA NA +PJ021567 SPTEMR C28H49N9O11S 719.3272 NA PeJP NA NA +PJ021568 GVEEMR C28H49N9O11S 719.3273 NA PeJP NA NA +PJ021569 SLEWW C36H45N7O9 719.3279 NA PeJP NA NA +PJ021570 APCHHR C29H45N13O7S 719.3286 NA PeJP NA NA +PJ021571 AALEMW C33H49N7O9S 719.3313 NA PeJP NA NA +PJ021572 PFFFY C41H45N5O7 719.3319 NA PeJP NA NA +PJ021573 SVKEEE C29H49N7O14 719.3338 NA PeJP NA NA +PJ021574 PTLQMM C30H53N7O9S2 719.3346 NA PeJP NA NA +PJ021575 PVDKMM C30H53N7O9S2 719.3347 NA PeJP NA NA +PJ021576 GSSQRW C30H45N11O10 719.3351 NA PeJP NA NA +PJ021577 LMFFY C38H49N5O7S 719.3353 NA PeJP NA NA +PJ021578 EEMRR C27H49N11O10S 719.3385 NA PeJP NA NA +PJ021579 SNKWW C35H45N9O8 719.3391 NA PeJP NA NA +PJ021580 GGGVHFF C35H45N9O8 719.3392 NA PeJP NA NA +PJ021581 VEMRW C32H49N9O8S 719.3425 NA PeJP NA NA +PJ021582 SSLEER C28H49N9O13 719.345 NA PeJP NA NA +PJ021583 SPVMMR C29H53N9O8S2 719.3459 NA PeJP NA NA +PJ021584 SSPHHR C29H45N13O9 719.3463 NA PeJP NA NA +PJ021585 AAEHHR C29H45N13O9 719.3464 NA PeJP NA NA +PJ021586 VVMWW C37H49N7O6S 719.3465 NA PeJP NA NA +PJ021587 ATTLEW C33H49N7O11 719.349 NA PeJP NA NA +PJ021588 GSNMRR C26H49N13O9S 719.3497 NA PeJP NA NA +PJ021589 LQHHW C34H45N11O7 719.3504 NA PeJP NA NA +PJ021590 ALKEEM C30H53N7O11S 719.3524 NA PeJP NA NA +PJ021591 VLYYY C38H49N5O9 719.353 NA PeJP NA NA +PJ021592 CQKRW C31H49N11O7S 719.3537 NA PeJP NA NA +PJ021593 GACKRW C31H49N11O7S 719.3538 NA PeJP NA NA +PJ021594 SSNKER C27H49N11O12 719.3562 NA PeJP NA NA +PJ021595 GGGSSSLR C27H49N11O12 719.3563 NA PeJP NA NA +PJ021596 DHHRR C28H45N15O8 719.3576 NA PeJP NA NA +PJ021597 GSDKKW C32H49N9O10 719.3603 NA PeJP NA NA +PJ021598 ATLEMR C29H53N9O10S 719.3636 NA PeJP NA NA +PJ021599 GGAKKEM C29H53N9O10S 719.3637 NA PeJP NA NA +MJ091886 Segetalin C; 6-L-Serine analogue C37H49N7O8 719.364261 NA MeJP NA NA +PJ021600 AAPLYW C37H49N7O8 719.3643 NA PeJP NA NA +PJ021601 SSSQRR C26H49N13O11 719.3675 NA PeJP NA NA +PJ021602 GTLLMW C34H53N7O8S 719.3677 NA PeJP NA NA +PJ021603 LFFFF C42H49N5O6 719.3683 NA PeJP NA NA +PJ021604 TTLKEE C30H53N7O13 719.3702 NA PeJP NA NA +PJ021605 PTLKMM C31H57N7O8S2 719.371 NA PeJP NA NA +PJ021606 GSSKRW C31H49N11O9 719.3715 NA PeJP NA NA +PJ021607 GTQKMR C28H53N11O9S 719.3749 NA PeJP NA NA +PJ021608 PVRYW C36H49N9O7 719.3755 NA PeJP NA NA +PJ021609 QKKMW C33H53N9O7S 719.3789 NA PeJP NA NA +PJ021610 TTTLER C29H53N9O12 719.3814 NA PeJP NA NA +PJ021611 GLLMMR C30H57N9O7S2 719.3823 NA PeJP NA NA +PJ021612 NQFRR C30H49N13O8 719.3827 NA PeJP NA NA +PJ021613 GGGAFRR C30H49N13O8 719.3828 NA PeJP NA NA +7734 Ala-proctolin ARYLPT 719.384 antioxidative Inhouse_peptide NA peptide +PJ021614 STTLLW C34H53N7O10 719.3854 NA PeJP NA NA +PJ021615 GTCKRR C27H53N13O8S 719.3861 NA PeJP NA NA +PJ021616 LKHHW C35H49N11O6 719.3868 NA PeJP NA NA +PJ021617 SLLKEM C31H57N7O10S 719.3888 NA PeJP NA NA +PJ021618 CKKRW C32H53N11O6S 719.3901 NA PeJP NA NA +PJ021619 SSDKKR C28H53N11O11 719.3926 NA PeJP NA NA +PJ021620 ASTKKW C33H53N9O9 719.3966 NA PeJP NA NA +PJ021621 GTTKKW C33H53N9O9 719.3967 NA PeJP NA NA +PJ021622 STLLMR C30H57N9O9S 719.4 NA PeJP NA NA +PJ021623 AALLFW C38H53N7O7 719.4007 NA PeJP NA NA +PJ021624 SSSKRR C27H53N13O10 719.4039 NA PeJP NA NA +PJ021625 PVVKMF C35H57N7O7S 719.4041 NA PeJP NA NA +PJ021626 SSSTLLL C31H57N7O12 719.4065 NA PeJP NA NA +PJ021627 VVLKMM C32H61N7O7S2 719.4074 NA PeJP NA NA +PJ021628 LEFRR C32H53N11O8 719.4079 NA PeJP NA NA +PJ021629 GTKKMR C29H57N11O8S 719.4113 NA PeJP NA NA +PJ021630 VLFRW C37H53N9O6 719.4119 NA PeJP NA NA +PJ021631 KKKMW C34H57N9O6S 719.4153 NA PeJP NA NA +PJ021632 STKKKE C30H57N9O11 719.4178 NA PeJP NA NA +PJ021633 NKFRR C31H53N13O7 719.4191 NA PeJP NA NA +PJ021634 SPLLKY C35H57N7O9 719.4218 NA PeJP NA NA +PJ021635 STTKKR C29H57N11O10 719.429 NA PeJP NA NA +3011 kinases inhibitor KKALRRQAAVDAL 719.42945 MH2+ Inhouse_peptide NA peptide +PJ021636 GVLLRY C34H57N9O8 719.433 NA PeJP NA NA +PJ021637 GGALKKF C34H57N9O8 719.4331 NA PeJP NA NA +PJ021638 SVKKKM C31H61N9O8S 719.4364 NA PeJP NA NA +PJ021639 LLRRY C33H57N11O7 719.4443 NA PeJP NA NA +MJ091887 2-Norerythromycin C36H65NO13 719.445591 NA MeJP NA NA +MJ091888 Erythromycin; 3''-O-De-Me C36H65NO13 719.445591 NA MeJP NA NA +MJ091889 Erythromycin; N-De-Me C36H65NO13 719.445591 NA MeJP NA NA +MJ091890 Erythromycin C C36H65NO13 719.445591 NA MeJP NA NA +C06616 Erythromycin C C36H65NO13 719.4456 NA KEGG NA NA +MJ091891 Ahpatinin E C37H61N5O9 719.446928 NA MeJP NA NA +MJ091892 Ahpatinin F C37H61N5O9 719.446928 NA MeJP NA NA +PJ021640 ALLLKY C36H61N7O8 719.4582 NA PeJP NA NA +PJ021641 GLKKKF C35H61N9O7 719.4694 NA PeJP NA NA +HMDB07935 PC(15:0/16:0) C39H78NO8P 719.546509 NA HMDB2010 NA NA +HMDB07967 PC(16:0/15:0) C39H78NO8P 719.546509 NA HMDB2010 NA NA +HMDB08833 PE(14:0/20:0) C39H78NO8P 719.546509 NA HMDB2010 NA NA +HMDB08925 PE(16:0/18:0) C39H78NO8P 719.546509 NA HMDB2010 NA NA +HMDB08989 PE(18:0/16:0) C39H78NO8P 719.546509 NA HMDB2010 NA NA +HMDB09217 PE(20:0/14:0) C39H78NO8P 719.546509 NA HMDB2010 NA NA +HMDB10566 PE-NMe2(16:0/16:0) C39H78NO8P 719.546509 NA HMDB2010 NA NA +HMDB05318 GPEtn(16:0/18:0)[U] C39H78NO8P 719.54651 http://www.hmdb.ca/metabolites/HMDB05318 HMDB NA NA +HMDB05326 GPEtn(18:0/16:0)[U] C39H78NO8P 719.54651 http://www.hmdb.ca/metabolites/HMDB05326 HMDB NA NA +HMDB05335 GPEtn(20:0/14:0)[U] C39H78NO8P 719.54651 http://www.hmdb.ca/metabolites/HMDB05335 HMDB NA NA +HMDB05318 GPEtn(16:0/18:0)[U] C39H78NO8P 719.54651 HMDB05318 PFEM_hmdb_metabocards_official NA NA +HMDB05326 GPEtn(18:0/16:0)[U] C39H78NO8P 719.54651 HMDB05326 PFEM_hmdb_metabocards_official NA NA +HMDB05335 GPEtn(20:0/14:0)[U] C39H78NO8P 719.54651 HMDB05335 PFEM_hmdb_metabocards_official NA NA +MJ091893 Petrichloral C13H16Cl12O8 719.710749 NA MeJP NA NA +2999 kinases inhibitor AKALRRQEAVDAL 719.90345 MH2+ Inhouse_peptide NA peptide +3001 kinases inhibitor KAALRRQEAVDAL 719.90345 MH2+ Inhouse_peptide NA peptide +2998 kinases inhibitor KKALRRAEAVDAL 719.92145 MH2+ Inhouse_peptide NA peptide +HMDB03665 Phosphoribosyl-ATP C15H26N5O20P4 720.012146 NA HMDB2010 NA NA +HMDB03665 Phosphoribosyl-ATP C15H26N5O20P4 720.01215 http://www.hmdb.ca/metabolites/HMDB03665 HMDB NA NA +HMDB03665 Phosphoribosyl-ATP C15H26N5O20P4 720.01215 HMDB03665 PFEM_hmdb_metabocards_official NA NA +MJ091894 Emethallicin B C34H28N2O8S4 720.072848 NA MeJP NA NA +MJ091895 Garlandosus C27H28N8O10S3 720.109051 NA MeJP NA NA +MJ091896 5,7-Dihydroxyflavanone, 7-O-[4,6-[(S)-4,4',5,5',6,6'-Hexahydroxydiphenoyl]-?-D-glucopyranoside] C35H28O17 720.132649 NA MeJP NA NA +MJ091897 Pelliatin C35H28O17 720.132649 NA MeJP NA NA +MJ091898 Swertifrancheside C35H28O17 720.132649 NA MeJP NA NA +PJ021642 CCCDDY C26H36N6O12S3 720.1554 NA PeJP NA NA +PJ021643 CCCMMM C24H44N6O7S6 720.1596 NA PeJP NA NA +MJ091899 3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone; 3''-Deoxy, 3'''-hydroxy, 7''-O-?-D-glucopyranoside C36H32O16 720.169034 NA MeJP NA NA +MJ091900 Diinsinin; 3'-Hydroxy C36H32O16 720.169034 NA MeJP NA NA +MJ091901 Sagerinic acid C36H32O16 720.169034 NA MeJP NA NA +PJ021644 CCCDMF C27H40N6O9S4 720.174 NA PeJP NA NA +PJ021645 CCDDEH C25H36N8O13S2 720.1844 NA PeJP NA NA +PJ021646 SCCDMY C27H40N6O11S3 720.1917 NA PeJP NA NA +PJ021647 ACCMMY C28H44N6O8S4 720.2104 NA PeJP NA NA +MJ091902 Sanguidimerine C43H32N2O9 720.21078 NA MeJP NA NA +PJ021648 CCNNMH C25H40N10O9S3 720.2142 NA PeJP NA NA +PJ021649 NNDDDE C25H36N8O17 720.2199 NA PeJP NA NA +PJ021650 SCDEMH C26H40N8O12S2 720.2207 NA PeJP NA NA +PJ021651 PCCMMH C27H44N8O7S4 720.2216 NA PeJP NA NA +PJ021652 GCCEFY C31H40N6O10S2 720.2248 NA PeJP NA NA +PJ021653 PDDDEM C27H40N6O15S 720.2273 NA PeJP NA NA +PJ021654 SSCMMY C28H44N6O10S3 720.2281 NA PeJP NA NA +PJ021655 GSSCCQH C25H40N10O11S2 720.232 NA PeJP NA NA +PJ021656 GNDDDW C29H36N8O14 720.2351 NA PeJP NA NA +PJ021657 PCCDHF C30H40N8O9S2 720.236 NA PeJP NA NA +PJ021658 GSPCNDE C26H40N8O14S 720.2385 NA PeJP NA NA +PJ021659 GDMMMH C27H44N8O9S3 720.2394 NA PeJP NA NA +PJ021660 CCFYW C35H40N6O7S2 720.24 NA PeJP NA NA +PJ021661 GSCEYY C31H40N6O12S 720.2425 NA PeJP NA NA +PJ021662 ACCMFF C32H44N6O7S3 720.2434 NA PeJP NA NA +PJ021663 GEEEEE C27H40N6O17 720.245 NA PeJP NA NA +MJ091903 Argylioside; 8?-Hydroxy C31H44O19 720.247679 NA MeJP NA NA +MJ091904 Kickxin C31H44O19 720.247679 NA MeJP NA NA +PJ021664 SSSSCNH C25H40N10O13S 720.2497 NA PeJP NA NA +PJ021665 GGGGGGNDM C25H40N10O13S 720.2498 NA PeJP NA NA +PJ021666 CCCQKH C26H44N10O8S3 720.2506 NA PeJP NA NA +PJ021667 SPCNDW C30H40N8O11S 720.2538 NA PeJP NA NA +PJ021668 SSSPNDD C26H40N8O16 720.2562 NA PeJP NA NA +PJ021669 SNNEEE C26H40N8O16 720.2563 NA PeJP NA NA +PJ021670 SSEMMH C27H44N8O11S2 720.2571 NA PeJP NA NA +PJ021671 SCYYW C35H40N6O9S 720.2578 NA PeJP NA NA +PJ021672 GCMHHH C28H40N12O7S2 720.2585 NA PeJP NA NA +PJ021673 EEEEW C31H40N6O14 720.2603 NA PeJP NA NA +PJ021674 NMMYY C32H44N6O9S2 720.2611 NA PeJP NA NA +C08748 Azadirachtin A C35H44O16 720.2629 NA KEGG NA NA +C11047 3-Acetyl-1-tigloylazadirachtinin C35H44O16 720.2629 NA KEGG NA NA +MJ091905 1,2,3,4,6,8,9,13,14-Nonahydroxydihydro-?-agarofuran, 8-Ketone, 13-benzoyl, 3-(2-methylbutanoyl), 1,2,9,14-tetra-Ac C35H44O16 720.262935 NA MeJP NA NA +MJ091906 Azadirachtin C35H44O16 720.262935 NA MeJP NA NA +PJ021675 SPEEEM C28H44N6O14S 720.2637 NA PeJP NA NA +PJ021676 PPDMMM C29H48N6O9S3 720.2645 NA PeJP NA NA +PJ021677 GCNNQW C29H40N10O10S 720.265 NA PeJP NA NA +PJ021678 SNDDDR C25H40N10O15 720.2675 NA PeJP NA NA +PJ021679 PCCNER C26H44N10O10S2 720.2684 NA PeJP NA NA +PJ021680 CEHFW C34H40N8O8S 720.269 NA PeJP NA NA +PJ021681 GSNEEW C30H40N8O13 720.2715 NA PeJP NA NA +PJ021682 GPCQMW C31H44N8O8S2 720.2724 NA PeJP NA NA +PJ021683 GQQEEM C27H44N8O13S 720.2749 NA PeJP NA NA +PJ021684 NDFYY C35H40N6O11 720.2755 NA PeJP NA NA +PJ021685 ATMMMH C28H48N8O8S3 720.2757 NA PeJP NA NA +PJ021686 SCLMMH C28H48N8O8S3 720.2758 NA PeJP NA NA +PJ021687 STCHHH C28H40N12O9S 720.2762 NA PeJP NA NA +PJ021688 GSTMYY C32H44N6O11S 720.2789 NA PeJP NA NA +PJ021689 SVEEEE C28H44N6O16 720.2814 NA PeJP NA NA +PJ021690 PVDEMM C29H48N6O11S2 720.2823 NA PeJP NA NA +PJ021691 SSNNNW C29H40N10O12 720.2827 NA PeJP NA NA +PJ021692 GGGGSSNW C29H40N10O12 720.2828 NA PeJP NA NA +PJ021693 GPCCRW C30H44N10O7S2 720.2836 NA PeJP NA NA +PJ021694 GNDEMR C26H44N10O12S 720.2861 NA PeJP NA NA +PJ021695 SNEWW C34H40N8O10 720.2868 NA PeJP NA NA +PJ021696 CCCKKH C27H48N10O7S3 720.287 NA PeJP NA NA +PJ021697 QQEMW C31H44N8O10S 720.2901 NA PeJP NA NA +PJ021698 GGGVDMW C31H44N8O10S 720.2902 NA PeJP NA NA +PJ021699 SNDKEE C27H44N8O15 720.2926 NA PeJP NA NA +PJ021700 GGGATTEE C27H44N8O15 720.2927 NA PeJP NA NA +PJ021701 TTTMMH C28H48N8O10S2 720.2935 NA PeJP NA NA +PJ021702 GNQEHH C28H40N12O11 720.294 NA PeJP NA NA +PJ021703 NMFFY C36H44N6O8S 720.2941 NA PeJP NA NA +PJ021704 GGMFFY C36H44N6O8S 720.2942 NA PeJP NA NA +PJ021705 SSTTYY C32H44N6O13 720.2966 NA PeJP NA NA +PJ021706 SPPEEY C32H44N6O13 720.2967 NA PeJP NA NA +PJ021707 SCNNQR C25H44N12O11S 720.2973 NA PeJP NA NA +PJ021708 GCDDRR C25H44N12O11S 720.2974 NA PeJP NA NA +MJ091907 3,20-Epoxy-8,11,13-abietatriene-3,7,11,12-tetrol, 12-O-Tetra-O-acetyl-?-D-glucopyranoside, 7-Ac C36H48O15 720.29932 NA MeJP NA NA +MJ091908 Javanicinoside F C36H48O15 720.29932 NA MeJP NA NA +MJ091909 Nymania 1 C36H48O15 720.29932 NA MeJP NA NA +PJ021709 ALEEEM C29H48N6O13S 720.3 NA PeJP NA NA +PJ021710 NDMRW C30H44N10O9S 720.3014 NA PeJP NA NA +PJ021711 GSWWW C38H40N8O7 720.302 NA PeJP NA NA +PJ021712 SSNEER C26H44N10O14 720.3039 NA PeJP NA NA +PJ021713 SPCQMR C27H48N10O9S2 720.3047 NA PeJP NA NA +PJ021714 PCCDKR C27H48N10O9S2 720.3048 NA PeJP NA NA +PJ021715 AQMWW C35H44N8O7S 720.3054 NA PeJP NA NA +PJ021716 GSDKEW C31H44N8O12 720.3079 NA PeJP NA NA +PJ021717 GPCKMW C32H48N8O7S2 720.3088 NA PeJP NA NA +PJ021718 NQHHW C32H40N12O8 720.3092 NA PeJP NA NA +PJ021719 GGGAHHW C32H40N12O8 720.3093 NA PeJP NA NA +PJ021720 GQKEEM C28H48N8O12S 720.3113 NA PeJP NA NA +PJ021721 VNYYY C36H44N6O10 720.3119 NA PeJP NA NA +MJ091910 Ritonavir C37H48N6O5S2 720.31276 NA MeJP NA NA +C07240 Ritonavir C37H48N6O5S2 720.3128 NA KEGG NA NA +MJ091911 5,6;12,15-Diepoxy-3,7,9,11,14-jatrophanepentol, 3,14-Dibenzoyl, 7,9,11-tri-Ac C40H48O12 720.314577 NA MeJP NA NA +MJ091912 Nimbolidin A C40H48O12 720.314577 NA MeJP NA NA +PJ021722 GSSSNNR C25H44N12O13 720.3151 NA PeJP NA NA +PJ021723 PPVDMY C33H48N6O10S 720.3153 NA PeJP NA NA +PJ021724 SPCCRR C26H48N12O8S2 720.316 NA PeJP NA NA +PJ021725 ACRWW C34H44N10O6S 720.3166 NA PeJP NA NA +PJ021726 TTLEEE C29H48N6O15 720.3178 NA PeJP NA NA +PJ021727 PTLEMM C30H52N6O10S2 720.3187 NA PeJP NA NA +PJ021728 GSSERW C30H44N10O11 720.3191 NA PeJP NA NA +PJ021729 GGGGGGVNF C30H44N10O11 720.3192 NA PeJP NA NA +PJ021730 MMHFR C31H48N10O6S2 720.32 NA PeJP NA NA +PJ021731 GPHHHH C31H40N14O7 720.3205 NA PeJP NA NA +PJ021732 GTQEMR C27H48N10O11S 720.3225 NA PeJP NA NA +PJ021733 SDKWW C35H44N8O9 720.3231 NA PeJP NA NA +PJ021734 GATTWW C35H44N8O9 720.3232 NA PeJP NA NA +PJ021735 QKEMW C32H48N8O9S 720.3265 NA PeJP NA NA +PJ021736 NFFFF C40H44N6O7 720.3272 NA PeJP NA NA +PJ021737 STQKEE C28H48N8O14 720.329 NA PeJP NA NA +PJ021738 SPQKMM C29H52N8O9S2 720.3299 NA PeJP NA NA +PJ021739 GNNNFR C29H44N12O10 720.3304 NA PeJP NA NA +PJ021740 APLEEY C33H48N6O12 720.3331 NA PeJP NA NA +PJ021741 GSDMRR C26H48N12O10S 720.3337 NA PeJP NA NA +PJ021742 GGGGSCKR C26H48N12O10S 720.3338 NA PeJP NA NA +PJ021743 PPVMMF C34H52N6O7S2 720.3339 NA PeJP NA NA +PJ021744 SSRWW C34H44N10O8 720.3344 NA PeJP NA NA +MJ091913 Javanicinoside E C37H52O14 720.335706 NA MeJP NA NA +PJ021745 SLLEEM C30H52N6O12S 720.3364 NA PeJP NA NA +PJ021746 PVLMMM C31H56N6O7S3 720.3373 NA PeJP NA NA +PJ021747 TQMRW C31H48N10O8S 720.3377 NA PeJP NA NA +PJ021748 GATMRW C31H48N10O8S 720.3378 NA PeJP NA NA +PJ021749 STTQER C27H48N10O13 720.3402 NA PeJP NA NA +PJ021750 SSDKER C27H48N10O13 720.3403 NA PeJP NA NA +PJ021751 GVQMMR C28H52N10O8S2 720.3411 NA PeJP NA NA +PJ021752 GSQHHR C28H44N14O9 720.3416 NA PeJP NA NA +PJ021753 AKMWW C36H48N8O6S 720.3418 NA PeJP NA NA +PJ021754 GTTKEW C32H48N8O11 720.3443 NA PeJP NA NA +PJ021755 NKHHW C33H44N12O7 720.3456 NA PeJP NA NA +PJ021756 GSPTTKM C29H52N8O11S 720.3476 NA PeJP NA NA +PJ021757 GKKEEM C29H52N8O11S 720.3477 NA PeJP NA NA +8342 fragment 43-48 of bovine lactoferrin LECIRA 720.348 Short chain acyl carnitines ;SYN:(R)-3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-1-Propanaminium inner salt; (R)-Caproylcarnitine; Hexanoic acid ester with L-(3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; Hexanoyl-L-carnitine; L-Carnitine hexanoyl ester; L-Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; L-Hexanoylcarnitine; Hexanoate; L-Hexanoate; Hexanoic acid; L-Hexanoic acidH2Blood Inhouse_peptide NA peptide +PJ021758 TKFYY C37H48N6O9 720.3483 NA PeJP NA NA +PJ021759 TCRRW C30H48N12O7S 720.349 NA PeJP NA NA +PJ021760 SSSERR C26H48N12O12 720.3515 NA PeJP NA NA +PJ021761 PPTLMY C34H52N6O9S 720.3517 NA PeJP NA NA +MJ091914 Rausutrine C42H48N4O7 720.352299 NA MeJP NA NA +PJ021762 QMMRR C27H52N12O7S2 720.3524 NA PeJP NA NA +PJ021763 VVLEMM C31H56N6O9S2 720.3551 NA PeJP NA NA +PJ021764 GTTTRW C31H48N10O10 720.3555 NA PeJP NA NA +PJ021765 GTKEMR C28H52N10O10S 720.3589 NA PeJP NA NA +PJ021766 TTKWW C36H48N8O8 720.3595 NA PeJP NA NA +PJ021767 GGGVVFW C36H48N8O8 720.3596 NA PeJP NA NA +PJ021768 KKEMW C33H52N8O8S 720.3629 NA PeJP NA NA +PJ021769 CMRRR C26H52N14O6S2 720.3636 NA PeJP NA NA +PJ021770 STKKEE C29H52N8O13 720.3654 NA PeJP NA NA +MJ091915 Feneritrol C45H52O8 720.366218 NA MeJP NA NA +PJ021771 SPKKMM C30H56N8O8S2 720.3663 NA PeJP NA NA +PJ021772 NEFRR C30H48N12O9 720.3667 NA PeJP NA NA +PJ021773 GGEFRR C30H48N12O9 720.3668 NA PeJP NA NA +PJ021774 SPLLEY C34H52N6O11 720.3694 NA PeJP NA NA +PJ021775 GTTMRR C27H52N12O9S 720.3701 NA PeJP NA NA +PJ021776 VNFRW C35H48N10O7 720.3708 NA PeJP NA NA +MJ091916 2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione, 23,24-Dihydro, 25-Ac, 2-O-?-D-glucopyranoside C38H56O13 720.372091 NA MeJP NA NA +MJ091917 2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 2-Ac, 16-O-?-D-glucopyranoside C38H56O13 720.372091 NA MeJP NA NA +MJ091918 2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 25-Ac, 2-O-?-D-glucopyranoside C38H56O13 720.372091 NA MeJP NA NA +PJ021777 TKMRW C32H52N10O7S 720.3741 NA PeJP NA NA +PJ021778 ALLMHH C32H52N10O7S 720.3742 NA PeJP NA NA +MJ091919 Stigmast-4-ene-3,6,8,15,16,29-hexol, 3-O-(2-O-Methyl-?-D-xylopyranoside), 15-sulfate C35H60O13S 720.375462 NA MeJP NA NA +PJ021779 STTKER C28H52N10O12 720.3766 NA PeJP NA NA +PJ021780 GGGSSTKK C28H52N10O12 720.3767 NA PeJP NA NA +PJ021781 GVKMMR C29H56N10O7S2 720.3775 NA PeJP NA NA +PJ021782 GSKHHR C29H48N14O8 720.378 NA PeJP NA NA +PJ021783 SSTLKW C33H52N8O10 720.3807 NA PeJP NA NA +PJ021784 GFRRW C34H48N12O6 720.382 NA PeJP NA NA +PJ021785 SVKKEM C30H56N8O10S 720.384 NA PeJP NA NA +MJ091920 Antibiotic A 54556; Antibiotic A 54556D C38H52N6O8 720.384662 NA MeJP NA NA +PJ021786 PPVVFY C38H52N6O8 720.3847 NA PeJP NA NA +PJ021787 STTTRR C27H52N12O11 720.3879 NA PeJP NA NA +PJ021788 PVVLMY C35H56N6O8S 720.3881 NA PeJP NA NA +MJ091921 12,12'-Bis(11-hydroxycoronaridine); Mono-Me ether C43H52N4O6 720.388685 NA MeJP NA NA +MJ091922 Cabufiline; Deepoxy, O-de-Me C43H52N4O6 720.388685 NA MeJP NA NA +MJ091923 Camptinine C43H52N4O6 720.388685 NA MeJP NA NA +MJ091924 Conoduramine; 19',20'-Epoxy C43H52N4O6 720.388685 NA MeJP NA NA +MJ091925 Conoduramine; 19R-Hydroxy C43H52N4O6 720.388685 NA MeJP NA NA +MJ091926 Conoduramine; 3-Hydroxy C43H52N4O6 720.388685 NA MeJP NA NA +MJ091927 Conodurine; 19R-Hydroxy C43H52N4O6 720.388685 NA MeJP NA NA +MJ091928 Conodurine; 3-Hydroxy C43H52N4O6 720.388685 NA MeJP NA NA +MJ091929 Deformylcoryzeylamine C43H52N4O6 720.388685 NA MeJP NA NA +MJ091930 Voacamine; 3-Hydroxy C43H52N4O6 720.388685 NA MeJP NA NA +MJ091931 Voacamine; Nb-Oxide C43H52N4O6 720.388685 NA MeJP NA NA +MJ091932 Voacorine C43H52N4O6 720.388685 NA MeJP NA NA +C09156 Epivoacorine C43H52N4O6 720.3887 NA KEGG NA NA +PJ021789 KMMRR C28H56N12O6S2 720.3888 NA PeJP NA NA +PJ021790 TLLLMM C32H60N6O8S2 720.3914 NA PeJP NA NA +PJ021791 GPTKRY C32H52N10O9 720.3919 NA PeJP NA NA +PJ021792 SSLKMR C29H56N10O9S 720.3953 NA PeJP NA NA +PJ021793 PKKYW C37H52N8O7 720.3959 NA PeJP NA NA +PJ021794 APKKMF C34H56N8O7S 720.3993 NA PeJP NA NA +2984 kinases inhibitor KKAGRRQEAVDAL 720.40045 MH2+ Inhouse_peptide NA peptide +PJ021795 SSSSLLK C30H56N8O12 720.4018 NA PeJP NA NA +PJ021796 ALKKMM C31H60N8O7S2 720.4027 NA PeJP NA NA +PJ021797 VQRRY C31H52N12O8 720.4031 NA PeJP NA NA +PJ021798 GGPVVHR C31H52N12O8 720.4032 NA PeJP NA NA +7574 ACE inhibitor from sarcoplasmic beef rump VLAQYK 720.404 antioxidative Inhouse_peptide NA peptide +PJ021799 ALLLEY C35H56N6O10 720.4058 NA PeJP NA NA +1 Sarcoplasmic VLAQYK 720.406 celiac toxic Inhouse_peptide NA peptide +6 Muscle VLAQYK 720.406 celiac toxic Inhouse_peptide NA peptide +MJ091933 18,24:20,24-Diepoxycycloartane-3,15,16,25-tetrol, 3-O-?-D-Xylopyranoside, 15,16-di-Ac C39H60O12 720.408477 NA MeJP NA NA +MJ091934 3,23-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-arabinopyranoside] C39H60O12 720.408477 NA MeJP NA NA +MJ091935 Bafilomycin C1 C39H60O12 720.408477 NA MeJP NA NA +MJ091936 Fevicordin F; O25-Butyl, 2-O-?-D-glucopyranoside C39H60O12 720.408477 NA MeJP NA NA +PJ021800 GSSSKKK C29H56N10O11 720.413 NA PeJP NA NA +PJ021801 ARRRY C30H52N14O7 720.4144 NA PeJP NA NA +PJ021802 AVLQKY C34H56N8O9 720.417 NA PeJP NA NA +PJ021803 SPVKKY C34H56N8O9 720.4171 NA PeJP NA NA +PJ021804 TTLKKM C31H60N8O9S 720.4204 NA PeJP NA NA +PJ021805 PVVLFF C39H56N6O7 720.4211 NA PeJP NA NA +MJ091937 Daphnetoxin; 20-Hexadecanoyl C43H60O9 720.423733 NA MeJP NA NA +MJ091938 Neosartortuic acid; Me ester C43H60O9 720.423733 NA MeJP NA NA +PJ021806 VVLLMF C36H60N6O7S 720.4245 NA PeJP NA NA +PJ021807 PHRRR C29H52N16O6 720.4256 NA PeJP NA NA +PJ021808 AALKRY C33H56N10O8 720.4283 NA PeJP NA NA +PJ021809 SCKKKK C30H60N10O8S 720.4317 NA PeJP NA NA +PJ021810 LKKFW C38H56N8O6 720.4323 NA PeJP NA NA +PJ021811 VKRRY C32H56N12O7 720.4395 NA PeJP NA NA +PJ021812 SLLLLY C36H60N6O9 720.4422 NA PeJP NA NA +MJ091939 Cumingianoside F; 3-Ac C40H64O11 720.444862 NA MeJP NA NA +MJ091940 Cumingianoside G; 23,25-Dideoxy, 23,25-epoxy, 3,6'-di-Ac C40H64O11 720.444862 NA MeJP NA NA +MJ091941 Cumingianoside G; 25-Deoxy, 25,26-didehydro, 3,6'-di-Ac C40H64O11 720.444862 NA MeJP NA NA +MJ091942 Dermostatin; Dermostatin A C40H64O11 720.444862 NA MeJP NA NA +MJ091943 Irumamycin; 3'-O-Decarbamoyl C40H64O11 720.444862 NA MeJP NA NA +MJ091944 Pouoside C C40H64O11 720.444862 NA MeJP NA NA +PJ021813 GLLKKY C35H60N8O8 720.4534 NA PeJP NA NA +PJ021814 GPPPLLK C35H60N8O8 720.4535 NA PeJP NA NA +MJ091945 14-Serratene-3,21-diol, 3-O-[4-Hydroxycinnamoyl-(?4)-?-L-arabinopyranoside] C44H64O8 720.460119 NA MeJP NA NA +MJ091946 14-Serratene-3,21-diol, 3-O-[4-Hydroxycinnamoyl-(?2 or 3)-?-L-arabinopyranoside] C44H64O8 720.460119 NA MeJP NA NA +MJ091947 14-Serratene-3,21-diol, 3-O-[4-Hydroxycinnamoyl-(?4)-?-L-arabinopyranoside] C44H64O8 720.460119 NA MeJP NA NA +PJ021815 PVLKKH C34H60N10O7 720.4647 NA PeJP NA NA +MJ091948 20(29)-Lupen-3-ol, [?-D-Xylopyranosyl-(1?4)-?-D-glucopyranoside] C41H68O10 720.481248 NA MeJP NA NA +MJ091949 Brunefungin C41H68O10 720.481248 NA MeJP NA NA +MJ091950 Flavopentin C41H68O10 720.481248 NA MeJP NA NA +MJ091951 Stigmasta-5,24(28)-dien-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C41H68O10 720.481248 NA MeJP NA NA +PJ021816 LLLLLH C36H64N8O7 720.4898 NA PeJP NA NA +HMDB10571 PG(16:0/16:1(9Z)) C38H73O10P 720.494141 NA HMDB2010 NA NA +HMDB10585 PG(16:1(9Z)/16:0) C38H73O10P 720.494141 NA HMDB2010 NA NA +MJ091952 Dunaimycin C1; 10-Deoxy C42H72O9 720.517633 NA MeJP NA NA +HMDB07672 DG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C47H76O5 720.569275 NA HMDB2010 NA NA +HMDB07698 DG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C47H76O5 720.569275 NA HMDB2010 NA NA +HMDB07784 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0) C47H76O5 720.569275 NA HMDB2010 NA NA +MJ091953 2-[3,7,11,15,19,23-Hexamethyl-25-(2,6,6-trimethyl-2-cyclohexenyl)pentacosa-2,14,18,22-tetraenyl]-3-methyl-1,4-naphthoquinone C51H76O2 720.584531 NA MeJP NA NA +MetaCyc04076 menaquinol [Menaquinol 8;reduced menaquinone;vitamin K2;] C51H76O2 720.584532 NA metacyc NA NA +MJ091954 3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,34-hexatriacontatetraene-1,15,19,23,27,31-hexol C45H84O6 720.62679 NA MeJP NA NA +MJ091955 12-Oleanen-3-ol, O-Eicosanoyl C50H88O2 720.678432 NA MeJP NA NA +MJ091956 12-Ursen-3-ol, Eicosanoyl C50H88O2 720.678432 NA MeJP NA NA +MJ091957 20(29)-Lupen-3-ol, Eicosanoyl C50H88O2 720.678432 NA MeJP NA NA +MJ091958 Ergost-5-en-3-ol, 13E-Docosenoyl C50H88O2 720.678432 NA MeJP NA NA +PJ021817 GCCCCCM C22H39N7O8S6 721.1185 NA PeJP NA NA +PJ021818 STCCCCC C22H39N7O10S5 721.1362 NA PeJP NA NA +MJ091959 Tris(1,3-diphenyl-1,3-propanedionato-O,O')chromium(III) C45H33CrO6 721.168225 NA MeJP NA NA +PJ021819 CCCCQY C26H39N7O9S4 721.1692 NA PeJP NA NA +MJ091960 Celenamide A C34H36BrN5O8 721.174725 NA MeJP NA NA +PJ021820 GPCCCCH C25H39N9O8S4 721.1805 NA PeJP NA NA +PJ021821 GSSCCCY C26H39N7O11S3 721.187 NA PeJP NA NA +PJ021822 CCNDMH C25H39N9O10S3 721.1982 NA PeJP NA NA +PJ021823 NDDDDE C25H35N7O18 721.2039 NA PeJP NA NA +PJ021824 CCCCKY C27H43N7O8S4 721.2056 NA PeJP NA NA +PJ021825 ACCCHW C29H39N9O7S3 721.2135 NA PeJP NA NA +PJ021826 GSSCCEH C25H39N9O12S2 721.216 NA PeJP NA NA +PJ021827 GDDDDW C29H35N7O15 721.2192 NA PeJP NA NA +PJ021828 GCCNYY C30H39N7O10S2 721.22 NA PeJP NA NA +PJ021829 GSPCDDE C26H39N7O15S 721.2225 NA PeJP NA NA +PJ021830 GPPCCDM C27H43N7O10S3 721.2234 NA PeJP NA NA +PJ021831 SSCCHW C29H39N9O9S2 721.2312 NA PeJP NA NA +PJ021832 SSSSCDH C25H39N9O14S 721.2337 NA PeJP NA NA +PJ021833 GGNNDDM C25H39N9O14S 721.2338 NA PeJP NA NA +PJ021834 SCNMMH C26H43N9O9S3 721.2346 NA PeJP NA NA +PJ021835 SPCDDW C30H39N7O12S 721.2378 NA PeJP NA NA +PJ021836 SNDEEE C26H39N7O17 721.2403 NA PeJP NA NA +PJ021837 PNDDMM C27H43N7O12S2 721.2411 NA PeJP NA NA +PJ021838 GGPDDMM C27H43N7O12S2 721.2412 NA PeJP NA NA +PJ021839 GSCNNNN C24H39N11O13S 721.245 NA PeJP NA NA +PJ021840 DMMYY C32H43N5O10S2 721.2452 NA PeJP NA NA +PJ021841 TCCCHR C25H43N11O8S3 721.2459 NA PeJP NA NA +PJ021842 GCNNEW C29H39N9O11S 721.249 NA PeJP NA NA +PJ021843 SDDDDR C25H39N9O16 721.2515 NA PeJP NA NA +PJ021844 PCCDER C26H43N9O11S2 721.2524 NA PeJP NA NA +PJ021845 GSDEEW C30H39N7O14 721.2555 NA PeJP NA NA +PJ021846 GPCEMW C31H43N7O9S2 721.2564 NA PeJP NA NA +MJ091961 Perdeacyleuojaponin; 8-Epimer, 1,2,9,14-tetra-Ac C34H43NO16 721.258184 NA MeJP NA NA +MJ091962 Perdeacyleuojaponin; 8-Epimer, 1,6,9,14-tetra-Ac C34H43NO16 721.258184 NA MeJP NA NA +PJ021847 GQEEEM C27H43N7O14S 721.2589 NA PeJP NA NA +PJ021848 DDFYY C35H39N5O12 721.2595 NA PeJP NA NA +PJ021849 GSPPCMM C28H47N7O9S3 721.2598 NA PeJP NA NA +PJ021850 PCNDHH C28H39N11O10S 721.2602 NA PeJP NA NA +PJ021851 GGPCDHH C28H39N11O10S 721.2603 NA PeJP NA NA +PJ021852 MMMFY C33H47N5O7S3 721.2638 NA PeJP NA NA +PJ021853 CNNWW C33H39N9O8S 721.2642 NA PeJP NA NA +PJ021854 GGCNWW C33H39N9O8S 721.2643 NA PeJP NA NA +PJ021855 SSNNDW C29H39N9O13 721.2668 NA PeJP NA NA +PJ021856 GCQMHF C30H43N9O8S2 721.2676 NA PeJP NA NA +PJ021857 GDDEMR C26H43N9O13S 721.2701 NA PeJP NA NA +PJ021858 GGGGGGTEM C26H43N9O13S 721.2702 NA PeJP NA NA +PJ021859 SDEWW C34H39N7O11 721.2708 NA PeJP NA NA +PJ021860 TCCKMH C27H47N9O8S3 721.271 NA PeJP NA NA +PJ021861 PCMWW C35H43N7O6S2 721.2716 NA PeJP NA NA +PJ021862 QEEMW C31H43N7O11S 721.2742 NA PeJP NA NA +PJ021863 STQEEE C27H43N7O16 721.2766 NA PeJP NA NA +PJ021864 TTNEEE C27H43N7O16 721.2767 NA PeJP NA NA +PJ021865 SPQEMM C28H47N7O11S2 721.2775 NA PeJP NA NA +PJ021866 GNEEHH C28H39N11O12 721.278 NA PeJP NA NA +PJ021867 DMFFY C36H43N5O9S 721.2782 NA PeJP NA NA +PJ021868 GCCHFR C29H43N11O7S2 721.2789 NA PeJP NA NA +PJ021869 SCNNER C25H43N11O12S 721.2814 NA PeJP NA NA +C18072 N1,N5,N10-Tri-(hydroxyferuloyl)-spermidine C37H43N3O12 721.2847 NA KEGG NA NA +PJ021870 DDMRW C30H43N9O10S 721.2854 NA PeJP NA NA +PJ021871 SSDEER C26H43N9O15 721.2879 NA PeJP NA NA +C03170 Trypanothione disulfide C27H47N9O10S2 721.2887 NA KEGG NA NA +PJ021872 ANQQMM C27H47N9O10S2 721.2887 NA PeJP NA NA +MJ091963 Trypanothione C27H47N9O10S2 721.28873 NA MeJP NA NA +PJ021873 SPCEMR C27H47N9O10S2 721.2888 NA PeJP NA NA +PJ021874 SNNNHH C27H39N13O11 721.2892 NA PeJP NA NA +PJ021875 GGGGGGSHH C27H39N13O11 721.2893 NA PeJP NA NA +PJ021876 AEMWW C35H43N7O8S 721.2894 NA PeJP NA NA +PJ021877 GTTEEW C31H43N7O13 721.2919 NA PeJP NA NA +PJ021878 GPTMMW C32H47N7O8S2 721.2928 NA PeJP NA NA +PJ021879 NEHHW C32H39N11O9 721.2932 NA PeJP NA NA +PJ021880 GGEHHW C32H39N11O9 721.2933 NA PeJP NA NA +PJ021881 GKEEEM C28H47N7O13S 721.2953 NA PeJP NA NA +PJ021882 VDYYY C36H43N5O11 721.2959 NA PeJP NA NA +PJ021883 PVNMMM C29H51N7O8S3 721.2962 NA PeJP NA NA +PJ021884 GSCNRW C29H43N11O9S 721.2966 NA PeJP NA NA +PJ021885 MMFFF C37H47N5O6S2 721.2968 NA PeJP NA NA +PJ021886 GSSSNDR C25H43N11O14 721.2991 NA PeJP NA NA +PJ021887 GNNMMR C26H47N11O9S2 721.3 NA PeJP NA NA +PJ021888 SSSQQW C30H43N9O12 721.3031 NA PeJP NA NA +PJ021889 GGGGSTTW C30H43N9O12 721.3032 NA PeJP NA NA +PJ021890 PPCCFR C31H47N9O7S2 721.304 NA PeJP NA NA +PJ021891 GTEEMR C27H47N9O12S 721.3065 NA PeJP NA NA +PJ021892 TTEWW C35H43N7O10 721.3072 NA PeJP NA NA +PJ021893 GPMMMR C28H51N9O7S3 721.3074 NA PeJP NA NA +PJ021894 GHHWW C36H39N11O6 721.3085 NA PeJP NA NA +PJ021895 KEEMW C32H47N7O10S 721.3105 NA PeJP NA NA +PJ021896 GGPVDMF C32H47N7O10S 721.3106 NA PeJP NA NA +PJ021897 GCCQRR C25H47N13O8S2 721.3112 NA PeJP NA NA +PJ021898 STKEEE C28H47N7O15 721.313 NA PeJP NA NA +PJ021899 SPKEMM C29H51N7O10S2 721.3139 NA PeJP NA NA +PJ021900 GNNDFR C29H43N11O11 721.3144 NA PeJP NA NA +PJ021901 VMFYY C37H47N5O8S 721.3146 NA PeJP NA NA +PJ021902 SSNQMR C26H47N11O11S 721.3177 NA PeJP NA NA +PJ021903 GGGGSTMR C26H47N11O11S 721.3178 NA PeJP NA NA +PJ021904 NQQFW C34H43N9O9 721.3184 NA PeJP NA NA +PJ021905 TEMRW C31H47N9O9S 721.3218 NA PeJP NA NA +PJ021906 APYWW C39H43N7O7 721.3224 NA PeJP NA NA +PJ021907 STTEER C27H47N9O14 721.3243 NA PeJP NA NA +PJ021908 AVDMMR C28H51N9O9S2 721.3251 NA PeJP NA NA +PJ021909 GVEMMR C28H51N9O9S2 721.3252 NA PeJP NA NA +PJ021910 GSEHHR C28H43N13O10 721.3256 NA PeJP NA NA +PJ021911 SLMWW C36H47N7O7S 721.3258 NA PeJP NA NA +PJ021912 SSTLEW C32H47N7O12 721.3283 NA PeJP NA NA +PJ021913 SSCNRR C25H47N13O10S 721.329 NA PeJP NA NA +PJ021914 AALMMW C33H51N7O7S2 721.3292 NA PeJP NA NA +PJ021915 DKHHW C33H43N11O8 721.3296 NA PeJP NA NA +PJ021916 SVKEEM C29H51N7O12S 721.3317 NA PeJP NA NA +PJ021917 TLYYY C37H47N5O10 721.3323 NA PeJP NA NA +PJ021918 PCLKMM C30H55N7O7S3 721.3325 NA PeJP NA NA +PJ021919 GLQMHH C30H47N11O8S 721.333 NA PeJP NA NA +PJ021920 PPHWW C38H43N9O6 721.3337 NA PeJP NA NA +PJ021921 GSSSTQR C26H47N11O13 721.3355 NA PeJP NA NA +PJ021922 EMMRR C27H51N11O8S2 721.3364 NA PeJP NA NA +PJ021923 SSSQKW C31H47N9O11 721.3395 NA PeJP NA NA +PJ021924 GGGGGGVVY C31H47N9O11 721.3396 NA PeJP NA NA +PJ021925 VMMRW C32H51N9O6S2 721.3404 NA PeJP NA NA +PJ021926 SHHRW C32H43N13O7 721.3409 NA PeJP NA NA +PJ021927 SSLEMR C28H51N9O11S 721.3429 NA PeJP NA NA +PJ021928 PKEYW C36H47N7O9 721.3435 NA PeJP NA NA +MJ091964 Yunnanin C C36H47N7O9 721.343526 NA MeJP NA NA +PJ021929 GSPLYW C36H47N7O9 721.3436 NA PeJP NA NA +PJ021930 AAMHHR C29H47N13O7S 721.3442 NA PeJP NA NA +PJ021931 GCLHHR C29H47N13O7S 721.3443 NA PeJP NA NA +2694 NA GGCTLREWLHGGFCGG 721.3445 MH2+ Inhouse_peptide NA peptide +PJ021932 ATTLMW C33H51N7O9S 721.3469 NA PeJP NA NA +PJ021933 VFFFY C41H47N5O7 721.3476 NA PeJP NA NA +PJ021934 SSSSLLE C29H51N7O14 721.3494 NA PeJP NA NA +PJ021935 ALKEMM C30H55N7O9S2 721.3503 NA PeJP NA NA +PJ021936 QQQRY C30H47N11O10 721.3507 NA PeJP NA NA +PJ021937 GAQQRY C30H47N11O10 721.3508 NA PeJP NA NA +PJ021938 SSNKMR C27H51N11O10S 721.3541 NA PeJP NA NA +PJ021939 PTRYW C35H47N9O8 721.3548 NA PeJP NA NA +PJ021940 GTCKKW C32H51N9O8S 721.3582 NA PeJP NA NA +PJ021941 ALFWW C40H47N7O6 721.3588 NA PeJP NA NA +PJ021942 SSSSVQK C28H51N9O13 721.3606 NA PeJP NA NA +PJ021943 GSSSKKE C28H51N9O13 721.3607 NA PeJP NA NA +PJ021944 ATLMMR C29H55N9O8S2 721.3615 NA PeJP NA NA +PJ021945 NNRRY C29H47N13O9 721.362 NA PeJP NA NA +PJ021946 TTTTLW C33H51N7O11 721.3647 NA PeJP NA NA +PJ021947 GPKHHF C34H47N11O7 721.366 NA PeJP NA NA +PJ021948 ASSTLLM C30H55N7O11S 721.368 NA PeJP NA NA +PJ021949 TTLKEM C30H55N7O11S 721.3681 NA PeJP NA NA +PJ021950 PMRRY C31H51N11O7S 721.3694 NA PeJP NA NA +2827 PEP inhibitor MPPPLPA 721.3694 NA Inhouse_peptide NA peptide +PJ021951 GSSSTKR C27H51N11O12 721.3719 NA PeJP NA NA +PJ021952 GCKKMR C28H55N11O7S2 721.3728 NA PeJP NA NA +PJ021953 SSSKKW C32H51N9O10 721.3759 NA PeJP NA NA +PJ021954 TTTLMR C29H55N9O10S 721.3793 NA PeJP NA NA +PJ021955 LLQYW C37H51N7O8 721.3799 NA PeJP NA NA +PJ021956 GAAPLFF C37H51N7O8 721.38 NA PeJP NA NA +PJ021957 APLKMY C34H55N7O8S 721.3833 NA PeJP NA NA +2791 precursor of thyrotropin hormone (1-6) KRQHPG 721.384 antibacterial Inhouse_peptide NA peptide +PJ021958 SSTTTLL C30H55N7O13 721.3858 NA PeJP NA NA +PJ021959 SLLKMM C31H59N7O8S2 721.3867 NA PeJP NA NA +PJ021960 LDRRY C31H51N11O9 721.3871 NA PeJP NA NA +MJ091965 Anabolliberin C31H51N11O9 721.387122 NA MeJP NA NA +PJ021961 VERRY C31H51N11O9 721.3872 NA PeJP NA NA +MJ091966 Fumonisin A1; 4R-Hydroxy, 5-deoxy, N2-de-Ac C34H59NO15 721.38847 NA MeJP NA NA +MJ091967 Fumonisin A1; N2-De-Ac C34H59NO15 721.38847 NA MeJP NA NA +PJ021962 STCKKR C28H55N11O9S 721.3905 NA PeJP NA NA +PJ021963 VVRYW C36H51N9O7 721.3912 NA PeJP NA NA +PJ021964 GVLMFR C33H55N9O7S 721.3946 NA PeJP NA NA +PJ021965 GSTTTKK C29H55N9O12 721.397 NA PeJP NA NA +PJ021966 GKKKMM C30H59N9O7S2 721.3979 NA PeJP NA NA +PJ021967 GPQKHR C30H51N13O8 721.3984 NA PeJP NA NA +PJ021968 GLLKEY C34H55N7O10 721.4011 NA PeJP NA NA +PJ021969 PFFRR C35H51N11O6 721.4024 NA PeJP NA NA +PJ021970 LMFRR C32H55N11O6S 721.4058 NA PeJP NA NA +PJ021971 GTLLRY C33H55N9O9 721.4123 NA PeJP NA NA +PJ021972 STKKKM C30H59N9O9S 721.4157 NA PeJP NA NA +PJ021973 LLKYW C38H55N7O7 721.4163 NA PeJP NA NA +PJ021974 ALLKMF C35H59N7O7S 721.4197 NA PeJP NA NA +PJ021975 QKKRY C32H55N11O8 721.4235 NA PeJP NA NA +PJ021976 GAPPPKR C32H55N11O8 721.4236 NA PeJP NA NA +PJ021977 GPKKHR C31H55N13O7 721.4348 NA PeJP NA NA +PJ021978 SVLLKY C35H59N7O9 721.4374 NA PeJP NA NA +PJ021979 TTLLKF C35H59N7O9 721.4375 NA PeJP NA NA +MJ091968 Solanidine; O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C39H63NO11 721.440111 NA MeJP NA NA +MJ091969 Solanidine; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C39H63NO11 721.440111 NA MeJP NA NA +MJ091970 Spirosol-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?1)-?-L-rhamnopyranos-4-yl] C39H63NO11 721.440111 NA MeJP NA NA +MJ091971 Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C39H63NO11 721.440111 NA MeJP NA NA +MJ091972 Spirosol-5-en-3-ol, 3-O-[D-Glucopyranosyl-(1??)-L-mannopyranoside] C39H63NO11 721.440111 NA MeJP NA NA +MJ091973 Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C39H63NO11 721.440111 NA MeJP NA NA +MJ091974 Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C39H63NO11 721.440111 NA MeJP NA NA +MJ091975 Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C39H63NO11 721.440111 NA MeJP NA NA +MJ091976 Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C39H63NO11 721.440111 NA MeJP NA NA +MJ091977 15-Norerythromycin A; 11-Deoxy, 11S-fluoro C36H64FNO12 721.441254 NA MeJP NA NA +MJ091978 Carmabin A; 9,9,10,10-Tetrahydro, 9-oxo C40H59N5O7 721.441449 NA MeJP NA NA +PJ021980 GVKKKY C34H59N9O8 721.4487 NA PeJP NA NA +PJ021981 KKKRY C33H59N11O7 721.4599 NA PeJP NA NA +PJ021982 GPPILLL C36H63N7O8 721.4738 NA PeJP NA NA +PJ021983 GPPLLLL C36H63N7O8 721.4739 NA PeJP NA NA +PJ021984 VLLLKH C35H63N9O7 721.4851 NA PeJP NA NA +HMDB09215 PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z)) C41H72NO7P 721.504639 NA HMDB2010 NA NA +HMDB09216 PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(9Z)) C41H72NO7P 721.504639 NA HMDB2010 NA NA +HMDB09477 PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-16:0) C41H72NO7P 721.504639 NA HMDB2010 NA NA +HMDB11354 PE(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) C41H72NO7P 721.504639 NA HMDB2010 NA NA +HMDB11412 PE(P-18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C41H72NO7P 721.504639 NA HMDB2010 NA NA +HMDB11445 PE(P-18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C41H72NO7P 721.504639 NA HMDB2010 NA NA +EUR1057 SM(d18:1/14:0) [M+FA-H]- C37H76N2O6P 721.548981 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1057 SM(d18:1/14:0) [M+FA-H]- C37H76N2O6P 721.548981 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1057 SM(d18:1/14:0) [M+FA-H]- C37H76N2O6P 721.548981 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1057 SM(d18:1/14:0) [M+FA-H]- C37H76N2O6P 721.548981 masses lipides attendues Inhousejuil11 NA NA +FL1DA9GS0002 Thonningianin B C35H30O17 722.14829 271579-12-5 knapsack NA NA +MJ091979 Thonningianin B C35H30O17 722.148299 NA MeJP NA NA +PJ021985 CCCCEY C26H38N6O10S4 722.1533 NA PeJP NA NA +FL5FACGA0036 Quercetin 3-(2''',3''',4'''-triacetyl-alpha-L-arabinopyranosyl)(1->6)-galactoside C32H34O19 722.16942 157072-31-6 knapsack NA NA +FL5FACGL0062 Quercetin 3-(2''',3''',5'''-triacetyl-alpha-L-arabinofuranosyl)(1->6)-glucoside C32H34O19 722.16942 - knapsack NA NA +FL5FACGL0063 Quercetin 3-(2''',3''',4'''-triacetyl-alpha-L-arabinopyranosyl)(1->6)-glucoside C32H34O19 722.16942 149507-87-9 knapsack NA NA +MJ091980 Hyperin; 6''-O-(2,3,4-Tri-O-acetyl-?-L-arabinopyranosyl) C32H34O19 722.169428 NA MeJP NA NA +MJ091981 Isoquercitrin; 6''-O-(2,3,4-Tri-O-acetyl-?-L-arabinopyranosyl) C32H34O19 722.169428 NA MeJP NA NA +MJ091982 Isoquercitrin; 6''-O-(2,3,5-Tri-O-acetyl-?-L-arabinofuranosyl) C32H34O19 722.169428 NA MeJP NA NA +MJ091983 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside), 5-O-(6-O-acetyl-?-D-glucopyranoside) C32H35O19(+) 722.169428 NA MeJP NA NA +PJ021986 CCDDMH C25H38N8O11S3 722.1823 NA PeJP NA NA +MJ091984 3',4',5,7-Tetrahydroxyflavan(4?8)-3',4',5,7-tetrahydroxyflavanone; 5-O-?-D-Glucopyranoside C36H34O16 722.184685 NA MeJP NA NA +PJ021987 DDDDDE C25H34N6O19 722.1879 NA PeJP NA NA +PJ021988 TCCCMY C27H42N6O9S4 722.1896 NA PeJP NA NA +PJ021989 GSCCCNH C24H38N10O10S3 722.1935 NA PeJP NA NA +MJ091985 7-Hydroxy-4'-methoxyisoflavone; 7-O-[2,6-Bis-O-(4-hydroxy-E-cinnamoyl)-?-D-glucopyranoside] C40H34O13 722.199941 NA MeJP NA NA +PJ021990 GPCCNDD C25H38N8O13S2 722.2 NA PeJP NA NA +MJ091986 Brostallicin C30H35BrN12O5 722.203674 NA MeJP NA NA +PJ021991 GCCDYY C30H38N6O11S2 722.204 NA PeJP NA NA +FL3FAACS0039 6'''-(3-Hydroxy-3-methylglutaroyl)isoviolanthin C33H38O18 722.20581 156998-79-7 knapsack NA NA +MJ091987 Isoviolanthin; 6'''-O-(3-Hydroxy-3-methylglutaroyl) C33H38O18 722.205814 NA MeJP NA NA +PJ021992 NNDDDM C25H38N8O15S 722.2178 NA PeJP NA NA +PJ021993 SCDMMH C26H42N8O10S3 722.2186 NA PeJP NA NA +MJ091988 KS 506g C38H42O10S2 722.221938 NA MeJP NA NA +PJ021994 GCCMFY C31H42N6O8S3 722.2227 NA PeJP NA NA +PJ021995 SDDEEE C26H38N6O18 722.2243 NA PeJP NA NA +PJ021996 PDDDMM C27H42N6O13S2 722.2252 NA PeJP NA NA +MJ091989 Aeruginosin 98A; 5'-Chloro C29H44Cl2N6O9S 722.226753 NA MeJP NA NA +PJ021997 GSCNNND C24H38N10O14S 722.229 NA PeJP NA NA +MJ091990 Jaspamide; ?4,35-Isomer, 5-oxo C36H43BrN4O7 722.231512 NA MeJP NA NA +MJ091991 Sarcodonin C36H38N2O14 722.232303 NA MeJP NA NA +PJ021998 GCNDEW C29H38N8O12S 722.233 NA PeJP NA NA +PJ021999 GSSNDDE C25H38N8O17 722.2355 NA PeJP NA NA +PJ022000 GSPCNDM C26H42N8O12S2 722.2364 NA PeJP NA NA +PJ022001 ACMMMH C27H46N8O7S4 722.2373 NA PeJP NA NA +PJ022002 SCCHHH C27H38N12O8S2 722.2377 NA PeJP NA NA +MJ091992 Aclatonium(1+), 1,5-Naphthalenedisulfonate (2:1) C30H46N2O14S2 722.239045 NA MeJP NA NA +PJ022003 PDDDDF C30H38N6O15 722.2396 NA PeJP NA NA +PJ022004 GSCMYY C31H42N6O10S2 722.2404 NA PeJP NA NA +FLIF1LGF0005 Amorphigenol O-vicianoside;Amorphol C34H42O17 722.24219 53947-91-4 knapsack NA NA +MJ091993 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-2,4-di-O-acetyl-?-D-glucopyranoside] C34H42O17 722.242199 NA MeJP NA NA +MJ091994 Catalpol; 10-O-E-Cinnamoyl, 6-O-(2,3-di-O-acetyl-?-L-rhamnopyranoside) C34H42O17 722.242199 NA MeJP NA NA +MJ091995 Catalpol; 6-O-(3-O-E-Cinnamoyl-2,4-di-O-acetyl-?-L-rhamnopyranoside) C34H42O17 722.242199 NA MeJP NA NA +PJ022005 GEEEEM C27H42N6O15S 722.2429 NA PeJP NA NA +PJ022006 PCDDHH C28H38N10O11S 722.2443 NA PeJP NA NA +MJ091996 Citbismine D C40H38N2O11 722.24756 NA MeJP NA NA +PJ022007 CNNNQM C25H42N10O11S2 722.2476 NA PeJP NA NA +PJ022008 GGGGGGGACM C25H42N10O11S2 722.2477 NA PeJP NA NA +PJ022009 CNDWW C33H38N8O9S 722.2483 NA PeJP NA NA +PJ022010 SSNDDW C29H38N8O14 722.2508 NA PeJP NA NA +PJ022011 SPCCQW C30H42N8O9S2 722.2516 NA PeJP NA NA +PJ022012 GCEMHF C30H42N8O9S2 722.2517 NA PeJP NA NA +PJ022013 SNNEEM C26H42N8O14S 722.2541 NA PeJP NA NA +PJ022014 GGSNEEM C26H42N8O14S 722.2542 NA PeJP NA NA +PJ022015 SSMMMH C27H46N8O9S3 722.255 NA PeJP NA NA +PJ022016 GCCFFF C35H42N6O7S2 722.2557 NA PeJP NA NA +MJ091997 11,12-Epoxy-1,2,3,5,7,8,15-heptahydroxy-6(17)-jatrophene-9,14-dione, 5,7-Dibenzoyl, 3,15-di-Ac C38H42O14 722.257456 NA MeJP NA NA +MJ091998 Phleichrome; 14,21-Diepimer, 14,21-bis(3R-hydroxybutanoyl) C38H42O14 722.257456 NA MeJP NA NA +C09122 Kansuinine B C38H42O14 722.2575 NA KEGG NA NA +PJ022017 EEEMW C31H42N6O12S 722.2582 NA PeJP NA NA +PJ022018 CCNNNR C24H42N12O10S2 722.2589 NA PeJP NA NA +PJ022019 STEEEE C27H42N6O17 722.2607 NA PeJP NA NA +PJ022020 SPEEMM C28H46N6O12S2 722.2615 NA PeJP NA NA +PJ022021 GDEEHH C28H38N10O13 722.262 NA PeJP NA NA +MJ091999 Radiatoside F C31H46O19 722.263329 NA MeJP NA NA +PJ022022 SCNDER C25H42N10O13S 722.2654 NA PeJP NA NA +PJ022023 PCCNMR C26H46N10O8S3 722.2663 NA PeJP NA NA +PJ022024 CMHFW C34H42N8O6S2 722.2669 NA PeJP NA NA +PJ022025 GSNEMW C30H42N8O11S 722.2694 NA PeJP NA NA +PJ022026 GSSSQEE C26H42N8O16 722.2719 NA PeJP NA NA +PJ022027 GQQEMM C27H46N8O11S2 722.2728 NA PeJP NA NA +PJ022028 SNNDHH C27H38N12O12 722.2732 NA PeJP NA NA +PJ022029 GGSNDHH C27H38N12O12 722.2733 NA PeJP NA NA +PJ022030 CQFYY C35H42N6O9S 722.2734 NA PeJP NA NA +PJ022031 GPEEEY C31H42N6O14 722.2759 NA PeJP NA NA +PJ022032 PPCEMF C32H46N6O9S2 722.2768 NA PeJP NA NA +PJ022033 DEHHW C32H38N10O10 722.2773 NA PeJP NA NA +MJ092000 Azadirachtin; O1-Detigloyl, O1-(2-methylbutanoyl) C35H46O16 722.278585 NA MeJP NA NA +MJ092001 Azadirachtin; O1-Detigloyl, O1-(3-methylbutanoyl) C35H46O16 722.278585 NA MeJP NA NA +MJ092002 Javanicinoside B; 2-O-De-Ac C35H46O16 722.278585 NA MeJP NA NA +PJ022034 SVEEEM C28H46N6O14S 722.2793 NA PeJP NA NA +PJ022035 PVDMMM C29H50N6O9S3 722.2802 NA PeJP NA NA +PJ022036 GSCDRW C29H42N10O10S 722.2806 NA PeJP NA NA +PJ022037 GSSSDDR C25H42N10O15 722.2831 NA PeJP NA NA +PJ022038 GGGGGGSSST C25H42N10O15 722.2832 NA PeJP NA NA +7774 phosphophoryn biomimetic peptide DSKSDSSKSESDSS 722.28335 MH2+ Inhouse_peptide NA peptide +MJ092003 Przewaline C41H42N2O10 722.283945 NA MeJP NA NA +PJ022039 GNDMMR C26H46N10O10S2 722.284 NA PeJP NA NA +PJ022040 SNMWW C34H42N8O8S 722.2846 NA PeJP NA NA +PJ022041 GGSMWW C34H42N8O8S 722.2847 NA PeJP NA NA +PJ022042 SSSQEW C30H42N8O13 722.2872 NA PeJP NA NA +PJ022043 QQMMW C31H46N8O8S2 722.288 NA PeJP NA NA +MJ092004 Tubocurarine(2+), N,O,O-Tri-Me, dichloride C40H48Cl2N2O6 722.288942 NA MeJP NA NA +PJ022044 SNDKEM C27H46N8O13S 722.2905 NA PeJP NA NA +PJ022045 PEEYW C35H42N6O11 722.2912 NA PeJP NA NA +PJ022046 PCNKMM C28H50N8O8S3 722.2914 NA PeJP NA NA +PJ022047 GNQMHH C28H42N12O9S 722.2919 NA PeJP NA NA +PJ022048 SPPEMY C32H46N6O11S 722.2946 NA PeJP NA NA +PJ022049 ACCDRR C25H46N12O9S2 722.2952 NA PeJP NA NA +PJ022050 GCCERR C25H46N12O9S2 722.2953 NA PeJP NA NA +PJ022051 ALEEMM C29H50N6O11S2 722.2979 NA PeJP NA NA +PJ022052 GNNQQY C29H42N10O12 722.2984 NA PeJP NA NA +PJ022053 CQMRW C30H46N10O7S2 722.2993 NA PeJP NA NA +MJ092005 Cholesta-9(11),24-diene-3,6,20-triol, 6-O-[6-Deoxy-4-O-sulfo-?-D-glucopyranoside], 3-sulfate C33H54O13S2 722.300583 NA MeJP NA NA +PJ022054 SSNEMR C26H46N10O12S 722.3018 NA PeJP NA NA +PJ022055 GSSTWW C34H42N8O10 722.3024 NA PeJP NA NA +PJ022056 GCNHHR C27H42N14O8S 722.3031 NA PeJP NA NA +PJ022057 GSDKMW C31H46N8O10S 722.3058 NA PeJP NA NA +PJ022058 GSSSKEE C27H46N8O15 722.3083 NA PeJP NA NA +PJ022059 SVQQMM C28H50N8O10S2 722.3091 NA PeJP NA NA +PJ022060 GQKEMM C28H50N8O10S2 722.3092 NA PeJP NA NA +PJ022061 SSQQHH C28H42N12O11 722.3096 NA PeJP NA NA +PJ022062 GGGGGGPQH C28H42N12O11 722.3097 NA PeJP NA NA +PJ022063 CKFYY C36H46N6O8S 722.3098 NA PeJP NA NA +PJ022064 CCRRW C29H46N12O6S2 722.3105 NA PeJP NA NA +PJ022065 SPVEEY C32H46N6O13 722.3123 NA PeJP NA NA +PJ022066 SSCDRR C25H46N12O11S 722.313 NA PeJP NA NA +PJ022067 PPCLMY C33H50N6O8S2 722.3132 NA PeJP NA NA +PJ022068 GPEHHF C33H42N10O9 722.3137 NA PeJP NA NA +MJ092006 Cauferin; 6'-O-?-D-Gentiobioside C36H50O15 722.31497 NA MeJP NA NA +MJ092007 Physagulin E; 16?,17?-Epoxide C36H50O15 722.31497 NA MeJP NA NA +PJ022069 TTLEEM C29H50N6O13S 722.3157 NA PeJP NA NA +PJ022070 PTLMMM C30H54N6O8S3 722.3166 NA PeJP NA NA +PJ022071 GSSMRW C30H46N10O9S 722.317 NA PeJP NA NA +PJ022072 GQFWW C38H42N8O7 722.3177 NA PeJP NA NA +PJ022073 GSSSTER C26H46N10O14 722.3195 NA PeJP NA NA +PJ022074 GTQMMR C27H50N10O9S2 722.3204 NA PeJP NA NA +PJ022075 TCKWW C35H46N8O7S 722.321 NA PeJP NA NA +PJ022076 AAMHFF C35H46N8O7S 722.3211 NA PeJP NA NA +PJ022077 SSSKEW C31H46N8O12 722.3235 NA PeJP NA NA +PJ022078 GGGLQEY C31H46N8O12 722.3236 NA PeJP NA NA +PJ022079 QKMMW C32H50N8O7S2 722.3244 NA PeJP NA NA +PJ022080 STQKEM C28H50N8O12S 722.3269 NA PeJP NA NA +PJ022081 SKYYY C36H46N6O10 722.3275 NA PeJP NA NA +PJ022082 LEEFW C36H46N6O10 722.3276 NA PeJP NA NA +PJ022083 PPCNHR C29H46N12O8S 722.3283 NA PeJP NA NA +PJ022084 PHHFW C37H42N10O6 722.3289 NA PeJP NA NA +MJ092008 Zaragozic acid E C40H50O12 722.330227 NA MeJP NA NA +PJ022085 APLEMY C33H50N6O10S 722.3309 NA PeJP NA NA +PJ022086 GTCMRR C26H50N12O8S2 722.3316 NA PeJP NA NA +PJ022087 LMHHW C34H46N10O6S 722.3323 NA PeJP NA NA +PJ022088 SLLEMM C30H54N6O10S2 722.3343 NA PeJP NA NA +PJ022089 SSSTRW C30H46N10O11 722.3348 NA PeJP NA NA +PJ022090 CKMRW C31H50N10O6S2 722.3356 NA PeJP NA NA +PJ022091 GVHHHH C31H42N14O7 722.3361 NA PeJP NA NA +PJ022092 SSDKMR C27H50N10O11S 722.3381 NA PeJP NA NA +PJ022093 GSVTTCR C27H50N10O11S 722.3382 NA PeJP NA NA +PJ022094 VQQYW C35H46N8O9 722.3388 NA PeJP NA NA +PJ022095 GTTKMW C32H50N8O9S 722.3422 NA PeJP NA NA +7727 NA PGANSGGMWFGPRL~ 722.34415 MH2+ Inhouse_peptide NA peptide +PJ022096 GSTTTKE C28H50N8O14 722.3447 NA PeJP NA NA +PJ022097 SVQKMM C29H54N8O9S2 722.3455 NA PeJP NA NA +PJ022098 GKKEMM C29H54N8O9S2 722.3456 NA PeJP NA NA +PJ022099 NDRRY C29H46N12O10 722.346 NA PeJP NA NA +PJ022100 PPCLFF C37H50N6O7S 722.3462 NA PeJP NA NA +PJ022101 HHHHR C30H42N16O6 722.3474 NA PeJP NA NA +PJ022102 GLLEEY C33H50N6O12 722.3487 NA PeJP NA NA +PJ022103 SSSMRR C26H50N12O10S 722.3494 NA PeJP NA NA +PJ022104 PVVMMF C34H54N6O7S2 722.3496 NA PeJP NA NA +PJ022105 AQRYW C34H46N10O8 722.35 NA PeJP NA NA +MJ092009 Anchinopeptolide A C34H46N10O8 722.350008 NA MeJP NA NA +PJ022106 GGGPLHW C34H46N10O8 722.3501 NA PeJP NA NA +MJ092010 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-3-O-acetyl-2,6-dideoxy-?-D-ribo-hexopyranoside] C37H54O14 722.351356 NA MeJP NA NA +MJ092011 Borovoluboside C37H54O14 722.351356 NA MeJP NA NA +MJ092012 Bovovoluboside C37H54O14 722.351356 NA MeJP NA NA +MJ092013 Glucobovoside A C37H54O14 722.351356 NA MeJP NA NA +PJ022107 VVLMMM C31H58N6O7S3 722.3529 NA PeJP NA NA +PJ022108 GPCKRY C31H50N10O8S 722.3534 NA PeJP NA NA +PJ022109 GKFWW C39H46N8O6 722.3541 NA PeJP NA NA +MJ092014 Ergost-22-ene-3,6,8,15,16,28-hexol, 28-O-(4-O-Sulfo-?-D-glucopyranoside) C34H58O14S 722.354727 NA MeJP NA NA +MJ092015 Ergost-22-ene-3,6,8,15,16,28-hexol, 28-O-(6-O-Sulfo-?-D-glucopyranoside) C34H58O14S 722.354727 NA MeJP NA NA +PJ022110 SSSSSLR C27H50N10O13 722.3559 NA PeJP NA NA +PJ022111 GTKMMR C28H54N10O8S2 722.3568 NA PeJP NA NA +7008 synthetic peptide from alpha-gliadin FPSQQPYLQLQP 722.3595 MH2+ Inhouse_peptide NA peptide +PJ022112 STTTKW C32H50N8O11 722.3599 NA PeJP NA NA +PJ022113 GGGPPPLE C32H50N8O11 722.36 NA PeJP NA NA +PJ022114 KKMMW C33H54N8O6S2 722.3608 NA PeJP NA NA +PJ022115 PQHRW C33H46N12O7 722.3613 NA PeJP NA NA +PJ022116 STKKEM C29H54N8O11S 722.3633 NA PeJP NA NA +PJ022117 LLEYW C37H50N6O9 722.3639 NA PeJP NA NA +PJ022118 PPVTFY C37H50N6O9 722.364 NA PeJP NA NA +PJ022119 NMFRR C30H50N12O7S 722.3646 NA PeJP NA NA +PJ022120 GGMFRR C30H50N12O7S 722.3647 NA PeJP NA NA +PJ022121 SPLLMY C34H54N6O9S 722.3673 NA PeJP NA NA +MJ092016 Phenylmethyl [1-[[[4-[(2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino]-2-hydroxy-3-[[(4-methoxyphenyl)methyl]amino]-4-oxo-1-(phenylmethyl)butyl]amino]carbonyl]-2,2-dimethylpropyl]carbamate C42H50N4O7 722.367949 NA MeJP NA NA +MJ092017 lanine C42H50N4O7 722.367949 NA MeJP NA NA +PJ022122 QKERY C31H50N10O10 722.3712 NA PeJP NA NA +PJ022123 STTKMR C28H54N10O10S 722.3745 NA PeJP NA NA +PJ022124 VQKYW C36H50N8O8 722.3752 NA PeJP NA NA +PJ022125 GPKKMY C33H54N8O8S 722.3786 NA PeJP NA NA +PJ022126 ATTTTTK C29H54N8O13 722.381 NA PeJP NA NA +PJ022127 SSSTTLK C29H54N8O13 722.3811 NA PeJP NA NA +PJ022128 SVKKMM C30H58N8O8S2 722.3819 NA PeJP NA NA +PJ022129 TQRRY C30H50N12O9 722.3824 NA PeJP NA NA +PJ022130 SVLLEY C34H54N6O11 722.3851 NA PeJP NA NA +PJ022131 AKRYW C35H50N10O7 722.3864 NA PeJP NA NA +MJ092018 2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 23,24-Dihydro, 25-Ac, 2-O-?-D-glucopyranoside C38H58O13 722.387741 NA MeJP NA NA +MJ092019 2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione, 25-Ac, 2-O-?-D-glucopyranoside C38H58O13 722.387741 NA MeJP NA NA +MJ092020 2,3,19-Trihydroxy-12-ursene-23,28-dioic acid, 2-Ac, 28-?-D-glucopyranosyl ester C38H58O13 722.387741 NA MeJP NA NA +MJ092021 2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 2,3-Bis(2-methylbutanoyl), 7-(2-methylpropanoyl), 8,9-di-Ac C38H58O13 722.387741 NA MeJP NA NA +MJ092022 2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 2,5-Bis(2-methylbutanoyl), 7-(2-methylpropanoyl), 8,9-di-Ac C38H58O13 722.387741 NA MeJP NA NA +MJ092023 3,16,20,25-Tetrahydroxycucurbita-5,23-diene-2,11,22-trione, 23,24-Dihydro, 25-Ac, 3-O-?-D-glucopyranoside C38H58O13 722.387741 NA MeJP NA NA +MJ092024 Spirosta-5,25(27)-diene-1,3,23-triol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C38H58O13 722.387741 NA MeJP NA NA +PJ022132 AAKMFR C32H54N10O7S 722.3898 NA PeJP NA NA +MJ092025 Stigmastane-3,6,8,15,16,29-hexol, 29-O-[5-O-Methyl-2-sulfo-?-L-arabinofuranoside] C35H62O13S 722.391112 NA MeJP NA NA +MJ092026 Stigmastane-3,6,8,15,16,29-hexol, 3-O-[2-O-Methyl-?-D-xylopyranoside], 15-sulfate C35H62O13S 722.391112 NA MeJP NA NA +PJ022133 GPTHRR C29H50N14O8 722.3936 NA PeJP NA NA +PJ022134 GVKKEY C33H54N8O10 722.3963 NA PeJP NA NA +PJ022135 PKHRW C34H50N12O6 722.3977 NA PeJP NA NA +C15714 Myxochromide S1 C38H54N6O8 722.4003 NA KEGG NA NA +PJ022136 APLLFY C38H54N6O8 722.4003 NA PeJP NA NA +PJ022137 ALLLMY C35H58N6O8S 722.4037 NA PeJP NA NA +MJ092027 Tabernaelegantine A; 19'R-Hydroxy C43H54N4O6 722.404335 NA MeJP NA NA +MJ092028 Tabernaelegantine B; 3'-Hydroxy C43H54N4O6 722.404335 NA MeJP NA NA +PJ022138 KKERY C32H54N10O9 722.4075 NA PeJP NA NA +PJ022139 GSLKRY C32H54N10O9 722.4076 NA PeJP NA NA +PJ022140 VKKYW C37H54N8O7 722.4116 NA PeJP NA NA +PJ022141 GLKKMF C34H58N8O7S 722.415 NA PeJP NA NA +PJ022142 TKRRY C31H54N12O8 722.4188 NA PeJP NA NA +PJ022143 TTLLLY C35H58N6O10 722.4215 NA PeJP NA NA +C08919 Yamogenin 3-O-neohesperidoside C39H62O12 722.4241 NA KEGG NA NA +C17038 Ophiopogonin B C39H62O12 722.4241 NA KEGG NA NA +MJ092029 12-Hydroxyspirostan-3-one, Dirhamnoside C39H62O12 722.424127 NA MeJP NA NA +MJ092030 20,24-Epoxycycloartane-3,15,16,18,25-pentol, 16,18-Di-Ac, 3-O-?-D-xylopyranoside C39H62O12 722.424127 NA MeJP NA NA +MJ092031 6-Hydroxyspirostan-3-one, 6-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranoside] C39H62O12 722.424127 NA MeJP NA NA +MJ092032 Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C39H62O12 722.424127 NA MeJP NA NA +MJ092033 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C39H62O12 722.424127 NA MeJP NA NA +MJ092034 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] C39H62O12 722.424127 NA MeJP NA NA +MJ092035 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C39H62O12 722.424127 NA MeJP NA NA +MJ092036 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C39H62O12 722.424127 NA MeJP NA NA +MJ092037 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] C39H62O12 722.424127 NA MeJP NA NA +MJ092038 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C39H62O12 722.424127 NA MeJP NA NA +MJ092039 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C39H62O12 722.424127 NA MeJP NA NA +MJ092040 Spirost-5-ene-1,3-diol, 1-O-?-D-Fucopyranoside, 3-O-?-L-rhamnopyranoside C39H62O12 722.424127 NA MeJP NA NA +MJ092041 Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-fucopyranoside] C39H62O12 722.424127 NA MeJP NA NA +3919 aurein 1,1 GLFDIIKKIAESI~ 722.4254 MH2+ Inhouse_peptide NA peptide +PJ022144 AALHRR C30H54N14O7 722.43 NA PeJP NA NA +PJ022145 ATLKKY C34H58N8O9 722.4327 NA PeJP NA NA +PJ022146 ALLLFF C39H58N6O7 722.4367 NA PeJP NA NA +PJ022147 VHRRR C29H54N16O6 722.4413 NA PeJP NA NA +PJ022148 PPLLQR C33H58N10O8 722.4439 NA PeJP NA NA +C03427 Prephytoene diphosphate C40H68O7P2 722.444 NA KEGG NA NA +C04146 all-trans-Octaprenyl diphosphate C40H68O7P2 722.444 NA KEGG NA NA +C17437 di-trans,poly-cis-Octaprenyl diphosphate C40H68O7P2 722.444 NA KEGG NA NA +PJ022149 GPPVVVR C33H58N10O8 722.444 NA PeJP NA NA +MJ092042 Prephytoene diphosphate C40H68O7P2 722.444027 NA MeJP NA NA +MJ092043 all-trans-Octaprenyl diphosphate C40H68O7P2 722.444027 NA MeJP NA NA +MetaCyc04077 octaprenyl diphosphate [farnesylfarnesylgeranyl-PP;octaprenyl pyrophosphate;OPP;farnesylfarnesylgeraniol;all-trans-octaprenyl diphosphate;] C40H68O7P2 722.444028 NA metacyc NA NA +MetaCyc04078 prephytoene diphosphate [] C40H68O7P2 722.444028 NA metacyc NA NA +HMDB03023 prephytoene diphosphate C40H68O7P2 722.44403 http://www.hmdb.ca/metabolites/HMDB03023 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01094 Octaprenyl diphosphate C40H68O7P2 722.44403 http://www.hmdb.ca/metabolites/HMDB01094 HMDB NA NA +HMDB03023 prephytoene diphosphate C40H68O7P2 722.44403 http://www.hmdb.ca/metabolites/HMDB03023 HMDB NA NA +HMDB03023 prephytoene diphosphate C40H68O7P2 722.44403 http://www.hmdb.ca/metabolites/HMDB03023 PFEM_hmdb_metabocards_blood NA blood +HMDB01094 Octaprenyl diphosphate C40H68O7P2 722.44403 HMDB01094 PFEM_hmdb_metabocards_official NA NA +HMDB03023 prephytoene diphosphate C40H68O7P2 722.44403 HMDB03023 PFEM_hmdb_metabocards_official NA NA +HMDB01094 Octaprenyl diphosphate C40H68O7P2 722.444031 NA HMDB2010 NA NA +HMDB03023 Prephytoene diphosphate C40H68O7P2 722.444031 NA HMDB2010 NA NA +MetaCyc04079 13-[O(2')-β-D-glucopyranosyl-β-D-glucopyranosyloxy]docosanoate O(6)-acetate''$$$''$$$'' [] C36H66O14 722.445257 NA metacyc NA NA +PJ022150 PPVVRR C32H58N12O7 722.4552 NA PeJP NA NA +MJ092044 20,24-Epoxydammarane-3,11,25-triol, 3-O-(2-O-Acetyl-?-D-glucopyranoside), 11-Ac C40H66O11 722.460512 NA MeJP NA NA +MJ092045 Antibiotic X 14931A C40H66O11 722.460512 NA MeJP NA NA +PJ022151 GPPVLLK C35H62N8O8 722.4691 NA PeJP NA NA +MJ092046 1,26-Hexacosanediol dicaffeate C44H66O8 722.475769 NA MeJP NA NA +PJ022152 PPLLKR C34H62N10O7 722.4803 NA PeJP NA NA +MJ092047 29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-O-?-D-Altruronopyranoside C41H70O10 722.496898 NA MeJP NA NA +MJ092048 29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-O-?-D-Galacturonopyranoside C41H70O10 722.496898 NA MeJP NA NA +MJ092049 29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-O-?-D-Glucuronopyranoside C41H70O10 722.496898 NA MeJP NA NA +MJ092050 Stigmast-5-en-3-ol, O-[?-D-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C41H70O10 722.496898 NA MeJP NA NA +HMDB10570 PG(16:0/16:0) C38H75O10P 722.509766 NA HMDB2010 NA NA +MJ092051 Corymbivillosol; 3-Ac C45H70O7 722.512154 NA MeJP NA NA +MJ092052 Bacterioruberin; 3''-Deoxy, 2'',3''-didehydro C50H74O3 722.563796 NA MeJP NA NA +HMDB07643 DG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C47H78O5 722.5849 NA HMDB2010 NA NA +HMDB07670 DG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C47H78O5 722.5849 NA HMDB2010 NA NA +HMDB07671 DG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C47H78O5 722.5849 NA HMDB2010 NA NA +HMDB07726 DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0) C47H78O5 722.5849 NA HMDB2010 NA NA +HMDB07755 DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0) C47H78O5 722.5849 NA HMDB2010 NA NA +HMDB07783 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/0:0) C47H78O5 722.5849 NA HMDB2010 NA NA +MJ092053 Glycerol tritetradecanoate C45H86O6 722.64244 NA MeJP NA NA +MJ092054 Ergost-5-en-3-ol, Docosanoyl C50H90O2 722.694082 NA MeJP NA NA +MJ092055 2-O-(3,7,11,15,19-Pentamethyleicosyl)-1-O-(3,7,11,15-tetramethylhexadecyl)glycerol C48H98O3 722.751597 NA MeJP NA NA +7030 synthetic peptide from alpha-gliadin FQQPLQQYPLGQ 722.857 MH2+ Inhouse_peptide NA peptide +3192 crabolin-like from skin of frog Rana esculenta FLPAIAGILSQLFG 722.907 MH2+ Inhouse_peptide NA peptide +PJ022153 SCCCCCC C21H37N7O9S6 723.0977 NA PeJP NA NA +FL7AAAGL0032 Pelargonidin 3-(6''-malonylglucoside)-5-(6'''-acetylglucoside) C32H35O19 723.17725 161993-00-6 knapsack NA NA +PJ022154 GSCCCDH C24H37N9O11S3 723.1775 NA PeJP NA NA +PJ022155 GPCCDDD C25H37N7O14S2 723.184 NA PeJP NA NA +PJ022156 CCCQMH C25H41N9O8S4 723.1961 NA PeJP NA NA +PJ022157 NDDDDM C25H37N7O16S 723.2018 NA PeJP NA NA +PJ022158 SPPCCCD C26H41N7O11S3 723.2026 NA PeJP NA NA +PJ022159 CCCCHR C24H41N11O7S4 723.2074 NA PeJP NA NA +PJ022160 GSCNNDD C24H37N9O15S 723.213 NA PeJP NA NA +MJ092056 Valrubicin C34H36F3NO13 723.213874 NA MeJP NA NA +PJ022161 GSSCCMH C25H41N9O10S3 723.2139 NA PeJP NA NA +PJ022162 GCDDEW C29H37N7O13S 723.217 NA PeJP NA NA +PJ022163 GSSDDDE C25H37N7O18 723.2195 NA PeJP NA NA +PJ022164 GSPCDDM C26H41N7O13S2 723.2204 NA PeJP NA NA +PJ022165 APPCCCM C27H45N7O8S4 723.2213 NA PeJP NA NA +PJ022166 SSSTCCH C25H41N9O12S2 723.2316 NA PeJP NA NA +PJ022167 GGGGCNEM C25H41N9O12S2 723.2317 NA PeJP NA NA +PJ022168 CDDWW C33H37N7O10S 723.2323 NA PeJP NA NA +PJ022169 CCCKMH C26H45N9O7S4 723.2325 NA PeJP NA NA +PJ022170 SSDDDW C29H37N7O15 723.2348 NA PeJP NA NA +PJ022171 SPCCEW C30H41N7O10S2 723.2357 NA PeJP NA NA +MJ092057 Rutin; 4'-(2-Morpholinylethyl) ether C33H41NO17 723.237448 NA MeJP NA NA +PJ022172 SNDEEM C26H41N7O15S 723.2382 NA PeJP NA NA +PJ022173 PCNEMM C27H45N7O10S3 723.239 NA PeJP NA NA +PJ022174 CCNNDR C24H41N11O11S2 723.2429 NA PeJP NA NA +PJ022175 GCNNMW C29H41N9O9S2 723.2469 NA PeJP NA NA +PJ022176 SCDDER C25H41N9O14S 723.2494 NA PeJP NA NA +PJ022177 PCCDMR C26H45N9O9S3 723.2503 NA PeJP NA NA +PJ022178 GSDEMW C30H41N7O12S 723.2534 NA PeJP NA NA +PJ022179 GPCMMW C31H45N7O7S3 723.2543 NA PeJP NA NA +PJ022180 GSSSEEE C26H41N7O17 723.2559 NA PeJP NA NA +PJ022181 GQEEMM C27H45N7O12S2 723.2568 NA PeJP NA NA +PJ022182 SNDDHH C27H37N11O13 723.2573 NA PeJP NA NA +PJ022183 CEFYY C35H41N5O10S 723.2574 NA PeJP NA NA +PJ022184 PCCQHH C28H41N11O8S2 723.2581 NA PeJP NA NA +PJ022185 SSCNQW C29H41N9O11S 723.2646 NA PeJP NA NA +PJ022186 GGSSCQW C29H41N9O11S 723.2647 NA PeJP NA NA +PJ022187 SSSSNNE C25H41N9O16 723.2671 NA PeJP NA NA +PJ022188 GGSSSSNE C25H41N9O16 723.2672 NA PeJP NA NA +PJ022189 GDDMMR C26H45N9O11S2 723.268 NA PeJP NA NA +PJ022190 SDMWW C34H41N7O9S 723.2687 NA PeJP NA NA +PJ022191 SSSEEW C30H41N7O14 723.2712 NA PeJP NA NA +PJ022192 QEMMW C31H45N7O9S2 723.272 NA PeJP NA NA +PJ022193 GAEMMW C31H45N7O9S2 723.2721 NA PeJP NA NA +PJ022194 STQEEM C27H45N7O14S 723.2745 NA PeJP NA NA +PJ022195 GGTTEEM C27H45N7O14S 723.2746 NA PeJP NA NA +PJ022196 SEYYY C35H41N5O12 723.2752 NA PeJP NA NA +PJ022197 SPQMMM C28H49N7O9S3 723.2754 NA PeJP NA NA +PJ022198 GNEMHH C28H41N11O10S 723.2759 NA PeJP NA NA +PJ022199 SCNNMR C25H45N11O10S2 723.2792 NA PeJP NA NA +PJ022200 GGSCNMR C25H45N11O10S2 723.2793 NA PeJP NA NA +PJ022201 GCNHFF C33H41N9O8S 723.2799 NA PeJP NA NA +PJ022202 GSSSSNW C29H41N9O13 723.2824 NA PeJP NA NA +PJ022203 CEMRW C30H45N9O8S2 723.2833 NA PeJP NA NA +PJ022204 SSDEMR C26H45N9O13S 723.2858 NA PeJP NA NA +PJ022205 GSPDYW C34H41N7O11 723.2864 NA PeJP NA NA +PJ022206 SPCMMR C27H49N9O8S3 723.2866 NA PeJP NA NA +PJ022207 GCDHHR C27H41N13O9S 723.2871 NA PeJP NA NA +PJ022208 AMMWW C35H45N7O6S2 723.2873 NA PeJP NA NA +PJ022209 GTTEMW C31H45N7O11S 723.2898 NA PeJP NA NA +PJ022210 NMHHW C32H41N11O7S 723.2911 NA PeJP NA NA +PJ022211 GGMHHW C32H41N11O7S 723.2912 NA PeJP NA NA +PJ022212 GSTTTEE C27H45N7O16 723.2923 NA PeJP NA NA +PJ022213 GKEEMM C28H49N7O11S2 723.2932 NA PeJP NA NA +PJ022214 SSQEHH C28H41N11O12 723.2936 NA PeJP NA NA +PJ022215 GGSTEHH C28H41N11O12 723.2937 NA PeJP NA NA +PJ022216 CLYYY C36H45N5O9S 723.2938 NA PeJP NA NA +PJ022217 PCCKHH C29H45N11O7S2 723.2945 NA PeJP NA NA +PJ022218 GSSSCQR C25H45N11O12S 723.297 NA PeJP NA NA +PJ022219 NNQYW C33H41N9O10 723.2977 NA PeJP NA NA +PJ022220 SSCNKW C30H45N9O10S 723.301 NA PeJP NA NA +PJ022221 GGGGAQMF C30H45N9O10S 723.3011 NA PeJP NA NA +PJ022222 GEFWW C38H41N7O8 723.3017 NA PeJP NA NA +PJ022223 SSSSNDK C26H45N9O15 723.3035 NA PeJP NA NA +MetaCyc04080 trypanothione [N1,N8-bis-(γ-L-glutamyl-L-cysteinyl-glycyl)-spermidine;N1,N8-bis(glutathionyl)spermidine;] C27H49N9O10S2 723.30438 NA metacyc NA NA +C02090 Trypanothione C27H49N9O10S2 723.3044 NA KEGG NA NA +PJ022224 GTEMMR C27H49N9O10S2 723.3044 NA PeJP NA NA +PJ022225 TTMWW C35H45N7O8S 723.305 NA PeJP NA NA +PJ022226 GAPMYW C35H45N7O8S 723.3051 NA PeJP NA NA +PJ022227 STTTEW C31H45N7O13 723.3075 NA PeJP NA NA +PJ022228 TTTTDW C31H45N7O13 723.3076 NA PeJP NA NA +PJ022229 KEMMW C32H49N7O8S2 723.3084 NA PeJP NA NA +PJ022230 GSTHHW C32H41N11O9 723.3089 NA PeJP NA NA +PJ022231 STKEEM C28H49N7O13S 723.3109 NA PeJP NA NA +PJ022232 SPKMMM C29H53N7O8S3 723.3118 NA PeJP NA NA +PJ022233 GCNQFR C29H45N11O9S 723.3123 NA PeJP NA NA +PJ022234 SSSSSNR C25H45N11O14 723.3148 NA PeJP NA NA +PJ022235 SCCQKR C26H49N11O9S2 723.3156 NA PeJP NA NA +PJ022236 GGTCCKR C26H49N11O9S2 723.3157 NA PeJP NA NA +PJ022237 PCRYW C34H45N9O7S 723.3163 NA PeJP NA NA +PJ022238 FWWW C42H41N7O5 723.3169 NA PeJP NA NA +PJ022239 QEERY C30H45N9O12 723.3188 NA PeJP NA NA +PJ022240 TMMRW C31H49N9O7S2 723.3197 NA PeJP NA NA +PJ022241 STTEMR C27H49N9O12S 723.3222 NA PeJP NA NA +PJ022242 VQEYW C35H45N7O10 723.3228 NA PeJP NA NA +PJ022243 GVMMMR C28H53N9O7S3 723.323 NA PeJP NA NA +PJ022244 GSMHHR C28H45N13O8S 723.3235 NA PeJP NA NA +MJ092058 Lissoclinamide 10 C36H49N7O5S2 723.323659 NA MeJP NA NA +PJ022245 HHHFF C36H41N11O6 723.3242 NA PeJP NA NA +PJ022246 SSTLMW C32H49N7O10S 723.3262 NA PeJP NA NA +PJ022247 TFFFY C40H45N5O8 723.3268 NA PeJP NA NA +PJ022248 SSSTTLE C28H49N7O15 723.3287 NA PeJP NA NA +PJ022249 SVKEMM C29H53N7O10S2 723.3296 NA PeJP NA NA +PJ022250 DDRRY C29H45N11O11 723.33 NA PeJP NA NA +PJ022251 GGGGPDKH C29H45N11O11 723.3301 NA PeJP NA NA +PJ022252 GSSSCKR C26H49N11O11S 723.3334 NA PeJP NA NA +PJ022253 AERYW C34H45N9O9 723.334 NA PeJP NA NA +PJ022254 GGNKYW C34H45N9O9 723.3341 NA PeJP NA NA +PJ022255 MMMRR C27H53N11O6S3 723.3343 NA PeJP NA NA +MJ092059 Pentabromo-2-propanone; Enol tribromoacetate C5Br8O2 723.33653 NA MeJP NA NA +PJ022256 GPTMRY C31H49N9O9S 723.3374 NA PeJP NA NA +PJ022257 GLYWW C39H45N7O7 723.3381 NA PeJP NA NA +PJ022258 SSSSTQK C27H49N9O14 723.3399 NA PeJP NA NA +PJ022259 SSLMMR C28H53N9O9S2 723.3408 NA PeJP NA NA +PJ022260 SSTHHR C28H45N13O10 723.3413 NA PeJP NA NA +PJ022261 PKMYW C36H49N7O7S 723.3414 NA PeJP NA NA +MJ092060 Pyroglutamylphenylalanylphenylalanylglycyleucylmethioninamide; all-L-form C36H49N7O7S 723.341417 NA MeJP NA NA +PJ022262 GALMFW C36H49N7O7S 723.3415 NA PeJP NA NA +PJ022263 GVKEEY C32H49N7O12 723.3439 NA PeJP NA NA +PJ022264 GGVVTEY C32H49N7O12 723.344 NA PeJP NA NA +PJ022265 APKMMF C33H53N7O7S2 723.3448 NA PeJP NA NA +PJ022266 PEHRW C33H45N11O8 723.3453 NA PeJP NA NA +PJ022267 SSSSLLM C29H53N7O12S 723.3473 NA PeJP NA NA +PJ022268 ALKMMM C30H57N7O7S3 723.3482 NA PeJP NA NA +PJ022269 DMFRR C30H49N11O8S 723.3487 NA PeJP NA NA +PJ022270 PVHWW C38H45N9O6 723.3493 NA PeJP NA NA +PJ022271 SCCKKR C27H53N11O8S2 723.352 NA PeJP NA NA +PJ022272 CLFRW C35H49N9O6S 723.3527 NA PeJP NA NA +PJ022273 KEERY C31H49N9O11 723.3552 NA PeJP NA NA +PJ022274 QHHFR C32H45N13O7 723.3565 NA PeJP NA NA +PJ022275 GSSSKKM C28H53N9O11S 723.3585 NA PeJP NA NA +PJ022276 VKEYW C36H49N7O9 723.3592 NA PeJP NA NA +PJ022277 SPVKMY C33H53N7O9S 723.3626 NA PeJP NA NA +PJ022278 STTTTTL C29H53N7O14 723.3651 NA PeJP NA NA +PJ022279 TTLKMM C30H57N7O9S2 723.3659 NA PeJP NA NA +PJ022280 TERRY C30H49N11O10 723.3664 NA PeJP NA NA +MJ092061 Fumonisin C1; 3-Hydroxy C33H57NO16 723.367734 NA MeJP NA NA +PJ022281 SLRYW C35H49N9O8 723.3704 NA PeJP NA NA +PJ022282 AALMRY C32H53N9O8S 723.3738 NA PeJP NA NA +MJ092062 Tryptophyllin L 4.2 C40H49N7O6 723.374432 NA MeJP NA NA +PJ022283 PKFFW C40H49N7O6 723.3745 NA PeJP NA NA +PJ022284 SSSSTKK C28H53N9O13 723.3763 NA PeJP NA NA +PJ022285 SCKKKM C29H57N9O8S2 723.3772 NA PeJP NA NA +PJ022286 AVNQHR C29H49N13O9 723.3776 NA PeJP NA NA +PJ022287 GVQQHR C29H49N13O9 723.3777 NA PeJP NA NA +PJ022288 LKMFW C37H53N7O6S 723.3778 NA PeJP NA NA +PJ022289 ATLKEY C33H53N7O11 723.3803 NA PeJP NA NA +PJ022290 APPHFR C34H49N11O7 723.3817 NA PeJP NA NA +PJ022291 VMRRY C31H53N11O7S 723.385 NA PeJP NA NA +PJ022292 APLMHR C31H53N11O7S 723.3851 NA PeJP NA NA +PJ022293 QQHRR C28H49N15O8 723.3889 NA PeJP NA NA +PJ022294 ATTLRY C32H53N9O10 723.3916 NA PeJP NA NA +PJ022295 KHHFR C33H49N13O6 723.3929 NA PeJP NA NA +PJ022296 GPLKFY C37H53N7O8 723.3956 NA PeJP NA NA +PJ022297 GLLKMY C34H57N7O8S 723.399 NA PeJP NA NA +PJ022298 GLLEHR C31H53N11O9 723.4028 NA PeJP NA NA +PJ022299 GVLLHW C36H53N9O7 723.4068 NA PeJP NA NA +PJ022300 ACKKKF C33H57N9O7S 723.4102 NA PeJP NA NA +PJ022301 APPQRR C30H53N13O8 723.414 NA PeJP NA NA +PJ022302 GAAPPRR C30H53N13O8 723.4141 NA PeJP NA NA +PJ022303 STLLKY C34H57N7O10 723.4167 NA PeJP NA NA +PJ022304 LLHRW C35H53N11O6 723.4181 NA PeJP NA NA +PJ022305 QKHRR C29H53N15O7 723.4253 NA PeJP NA NA +PJ022306 ASKKKY C33H57N9O9 723.4279 NA PeJP NA NA +PJ022307 GTKKKY C33H57N9O9 723.428 NA PeJP NA NA +PJ022308 PPVLLW C38H57N7O7 723.432 NA PeJP NA NA +PJ022309 SVLLHR C32H57N11O8 723.4392 NA PeJP NA NA +PJ022310 APPKRR C31H57N13O7 723.4504 NA PeJP NA NA +PJ022311 APPTLLL C35H61N7O9 723.4531 NA PeJP NA NA +MJ092063 Lanost-8-ene-2,3,12,21,24,25-hexol, 2-O-[3-Hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoyl] C39H65NO11 723.455761 NA MeJP NA NA +MJ092064 Lanost-8-ene-2,3,12,21,24,25-hexol, 3-O-[3-Hydroxy-5-[(2-methoxy-2-oxoethyl)amino]methyl-5-oxopentanoyl] C39H65NO11 723.455761 NA MeJP NA NA +MJ092065 Solacongestidine; Glycoside (1) C39H65NO11 723.455761 NA MeJP NA NA +HMDB12311 3-O-Sulfogalactosylceramide (d18:1/12:0) C36H69NO11S 723.459106 NA HMDB2010 NA NA +PJ022312 KKHRR C30H57N15O6 723.4617 NA PeJP NA NA +PJ022313 TLLLKH C34H61N9O8 723.4643 NA PeJP NA NA +PJ022314 GPPVVKK C34H61N9O8 723.4644 NA PeJP NA NA +PJ022315 PPVKKR C33H61N11O7 723.4756 NA PeJP NA NA +HMDB07910 PC(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C40H70NO8P 723.483887 NA HMDB2010 NA NA +HMDB08230 PC(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)) C40H70NO8P 723.483887 NA HMDB2010 NA NA +HMDB08906 PE(15:0/20:5(5Z,8Z,11Z,14Z,17Z)) C40H70NO8P 723.483887 NA HMDB2010 NA NA +HMDB09450 PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:0) C40H70NO8P 723.483887 NA HMDB2010 NA NA +PJ022316 GPVLLLL C36H65N7O8 723.4895 NA PeJP NA NA +PJ022317 PLLLLR C35H65N9O7 723.5007 NA PeJP NA NA +HMDB09149 PE(18:3(6Z,9Z,12Z)/P-18:1(11Z)) C41H74NO7P 723.520264 NA HMDB2010 NA NA +HMDB09150 PE(18:3(6Z,9Z,12Z)/P-18:1(9Z)) C41H74NO7P 723.520264 NA HMDB2010 NA NA +HMDB09182 PE(18:3(9Z,12Z,15Z)/P-18:1(11Z)) C41H74NO7P 723.520264 NA HMDB2010 NA NA +HMDB09183 PE(18:3(9Z,12Z,15Z)/P-18:1(9Z)) C41H74NO7P 723.520264 NA HMDB2010 NA NA +HMDB09214 PE(18:4(6Z,9Z,12Z,15Z)/P-18:0) C41H74NO7P 723.520264 NA HMDB2010 NA NA +HMDB09411 PE(20:4(5Z,8Z,11Z,14Z)/P-16:0) C41H74NO7P 723.520264 NA HMDB2010 NA NA +HMDB09444 PE(20:4(8Z,11Z,14Z,17Z)/P-16:0) C41H74NO7P 723.520264 NA HMDB2010 NA NA +HMDB11352 PE(P-16:0/20:4(5Z,8Z,11Z,14Z)) C41H74NO7P 723.520264 NA HMDB2010 NA NA +HMDB11353 PE(P-16:0/20:4(8Z,11Z,14Z,17Z)) C41H74NO7P 723.520264 NA HMDB2010 NA NA +HMDB11379 PE(P-18:0/18:4(6Z,9Z,12Z,15Z)) C41H74NO7P 723.520264 NA HMDB2010 NA NA +HMDB11410 PE(P-18:1(11Z)/18:3(6Z,9Z,12Z)) C41H74NO7P 723.520264 NA HMDB2010 NA NA +HMDB11411 PE(P-18:1(11Z)/18:3(9Z,12Z,15Z)) C41H74NO7P 723.520264 NA HMDB2010 NA NA +HMDB11443 PE(P-18:1(9Z)/18:3(6Z,9Z,12Z)) C41H74NO7P 723.520264 NA HMDB2010 NA NA +HMDB11444 PE(P-18:1(9Z)/18:3(9Z,12Z,15Z)) C41H74NO7P 723.520264 NA HMDB2010 NA NA +EUR1070 SM(d18:1/16:1) [M+Na]+ C39H78N2O6P 723.541697 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1070 SM(d18:1/16:1) [M+Na]+ C39H78N2O6P 723.541697 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1070 SM(d18:1/16:1) [M+Na]+ C39H78N2O6P 723.541697 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1070 SM(d18:1/16:1) [M+Na]+ C39H78N2O6P 723.541697 masses lipides attendues Inhousejuil11 NA NA +MJ092066 N-[2-Ethyl-3,18-dihydroxy-1-(hydroxymethyl)-4-methylnonadecyl]tricosamide C46H93NO4 723.71046 NA MeJP NA NA +7461 coeliac toxic peptide VQQQIPVVQPSIL 723.912 MH2+ Inhouse_peptide NA peptide +C11026 Coumaphos anti-dimer C28H32Cl2O10P2S2 724.0289 NA KEGG NA NA +C11027 Coumaphos syn-dimer C28H32Cl2O10P2S2 724.0289 NA KEGG NA NA +HMDB12262 Molybdopterin-AMP C20H26N10O12P2S2 724.064819 NA HMDB2010 NA NA +PJ022318 CCCCMY C26H40N6O8S5 724.1511 NA PeJP NA NA +FL3FAAGS0045 Apigenin 7-(2'',6''-di-p-coumarylglucoside) C39H32O14 724.1792 87562-08-1 knapsack NA NA +FL3FAAGS0046 Apigenin 7-(3'',6''-di-p-coumarylglucoside) C39H32O14 724.1792 83529-71-9 knapsack NA NA +FL3FAAGS0047 Apigenin 7-(4'',6''-di-p-coumarylglucoside) C39H32O14 724.1792 87562-09-2 knapsack NA NA +FL3FAAGS0068 Apigenin 7-(3'',6''-Di-E-p-coumaroylgalactoside);7-[[3,6-Bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-b-D-galactopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C39H32O14 724.1792 480990-58-7 knapsack NA NA +FL5FAAGS0054 Platanoside;Kaempferol 3-(2'',3''-di-(E)-p-coumaroylrhamnoside);3-[[6-Deoxy-2,3-bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C39H32O14 724.1792 133740-25-7 knapsack NA NA +FL5FAAGS0055 Kaempferol 3-(2'',4''-di-(E)-p-coumarylrhamnoside) C39H32O14 724.1792 163434-73-9 knapsack NA NA +FL5FAAGS0056 Kaempferol 3-(3'',4''-di-p-coumarylrhamnoside) C39H32O14 724.1792 166321-99-9 knapsack NA NA +FL5FAAGS0108 Kaempferol 3-(2'',4''-di-(Z)-p-coumaroylrhamnoside);3-[[6-Deoxy-2,4-bis-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C39H32O14 724.1792 205534-17-4 knapsack NA NA +MJ092067 Afzelin; 2'',4''-Bis-O-(4-hydroxycinnamoyl) C39H32O14 724.179205 NA MeJP NA NA +MJ092068 Afzelin; 3'',4''-Bis-O-(4-hydroxycinnamoyl) C39H32O14 724.179205 NA MeJP NA NA +MJ092069 Afzelin; Bis-O-(4-hydroxycinnamoyl) C39H32O14 724.179205 NA MeJP NA NA +MJ092070 Cosmosiin; 2'',6''-Bis-O-(4-hydroxycinnamoyl) C39H32O14 724.179205 NA MeJP NA NA +MJ092071 Cosmosiin; 3'',6''-Bis-O-(4-hydroxycinnamoyl) C39H32O14 724.179205 NA MeJP NA NA +MJ092072 Cosmosiin; 4'',6''-Bis-O-(4-hydroxycinnamoyl) C39H32O14 724.179205 NA MeJP NA NA +PJ022319 CCCEMH C25H40N8O9S4 724.1801 NA PeJP NA NA +PJ022320 CCCCFF C30H40N6O7S4 724.1842 NA PeJP NA NA +FL3FFCGS0021 8-Hydroxyluteolin 4'-methyl ether 7-(6'''-acetylallosyl)(1->2)(6''-acetylglucoside) C32H36O19 724.18507 108706-09-8 knapsack NA NA +FL5FADGA0022 Isorhamnetin 3-(4''',6'''-diacetylglucosyl) (1->3)-galactoside C32H36O19 724.18507 139955-73-0 knapsack NA NA +MJ092073 3',5,7,8-Tetrahydroxy-4'-methoxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] C32H36O19 724.185078 NA MeJP NA NA +MJ092074 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[4,6-Di-O-acetyl-?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] C32H36O19 724.185078 NA MeJP NA NA +MJ092075 4',5,7,8-Tetrahydroxy-3'-methoxyflavone; 7-O-[?-D-Mannopyranosyl-(1?2)-?-D-glucopyranoside], di-Ac C32H36O19 724.185078 NA MeJP NA NA +PJ022321 DDDDDM C25H36N6O17S 724.1858 NA PeJP NA NA +PJ022322 GSCNDDD C24H36N8O16S 724.197 NA PeJP NA NA +PJ022323 GPCCCNE C25H40N8O11S3 724.1979 NA PeJP NA NA +FL5FAAGS0066 Kaempferol 3-(2''-p-coumaryl-rhamnoside)-7-rhamnoside C36H36O16 724.20033 145204-83-7 knapsack NA NA +FL5FAAGS0122 Kaempferol 3-(3''-p-coumaroylrhamnoside)-7-rhamnoside C36H36O16 724.20033 - knapsack NA NA +MJ092076 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-O-?-L-Rhamnopyranoside C36H36O16 724.200335 NA MeJP NA NA +MJ092077 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3-O-?-L-Rhamnopyranoside C36H36O16 724.200335 NA MeJP NA NA +MJ092078 ?-Rhamnoisorobin; 3-O-[4-Hydroxycinnamoyl-(?2)-?-L-rhamnopyranoside] C36H36O16 724.200335 NA MeJP NA NA +PJ022324 ACCCYY C30H40N6O9S3 724.2019 NA PeJP NA NA +MJ092079 Acarbose; 7-O-Phosphate C25H43NO21P 724.206518 NA MeJP NA NA +MJ092080 Pradimicin L; 17-Hydroxy, 3A-de-O-glucosyl C35H36N2O15 724.211568 NA MeJP NA NA +PJ022325 PCCCNW C29H40N8O8S3 724.2132 NA PeJP NA NA +PJ022326 CCDQQE C25H40N8O13S2 724.2156 NA PeJP NA NA +PJ022327 CNNDEM C25H40N8O13S2 724.2157 NA PeJP NA NA +PJ022328 TCCMMH C26H44N8O8S4 724.2165 NA PeJP NA NA +PJ022329 SSCCYY C30H40N6O11S2 724.2197 NA PeJP NA NA +FL3FAAGS0033 Apigenin 7-rhamnoside-4'-rutinoside C33H40O18 724.22146 120282-90-8 knapsack NA NA +FL5FAAGS0042 Kaempferol 3-rhamnosyl-(1->4)-rhamnoside-7-rhamnoside C33H40O18 724.22146 129369-23-9 knapsack NA NA +MJ092081 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4',5,6,7,8-Hexa-Me ether, 3-O-(4-O-3-hydroxy-3-methylglutaroyl-?-D-glucopyranoside) C33H40O18 724.221464 NA MeJP NA NA +MJ092082 3,3',4'-Trihydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C33H40O18 724.221464 NA MeJP NA NA +MJ092083 3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Rhamnofuranoside, 7-O-[?-L-rhamnofuranosyl-(1?5)-?-L-rhamnofuranoside] C33H40O18 724.221464 NA MeJP NA NA +MJ092084 4',5,7-Trihydroxyflavone; 4'-O-[?-D-Glucopyranosyl-(1??)-?-L-rhamnopyranoside], 7-O-?-L-rhamnopyranoside C33H40O18 724.221464 NA MeJP NA NA +MJ092085 4',5,7-Trihydroxyflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-L-rhamnopyranoside C33H40O18 724.221464 NA MeJP NA NA +MJ092086 4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C33H40O18 724.221464 NA MeJP NA NA +MJ092087 5,7-Dihydroxy-4'-methoxyflavone; 7-Glycoside C33H40O18 724.221464 NA MeJP NA NA +MJ092088 6-O-?-D-Glucopyranosyl-D-glucose; ?-Pyranose-form, 1-O-(4-Hydroxy-3,5-dimethoxycinnamoyl), 2-O-(4-hydroxy-3-methoxycinnamoyl) C33H40O18 724.221464 NA MeJP NA NA +MJ092089 Afzelin; 7-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranoside] C33H40O18 724.221464 NA MeJP NA NA +MJ092090 Cosmosiin; 2'',4''-Di-O-?-L-rhamnopyranosyl C33H40O18 724.221464 NA MeJP NA NA +MJ092091 Sucrose; 1'-O-(4-Hydroxy-3,5-dimethoxycinnamoyl), 3'-O-(4-hydroxy-3-methoxycinnamoyl) C33H40O18 724.221464 NA MeJP NA NA +MJ092092 Sucrose; 3'-O-(4-Hydroxy-3-methoxycinnamoyl), 6-O-(4-hydroxy-3,5-dimethoxycinnamoyl) C33H40O18 724.221464 NA MeJP NA NA +MJ092093 ?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] C33H40O18 724.221464 NA MeJP NA NA +C15582 Flavonol C33H40O18 724.2215 NA KEGG NA NA +PJ022330 SDDEEM C26H40N6O16S 724.2222 NA PeJP NA NA +PJ022331 PCDEMM C27H44N6O11S3 724.2231 NA PeJP NA NA +PJ022332 CCNDDR C24H40N10O12S2 724.2269 NA PeJP NA NA +PJ022333 GCNDMW C29H40N8O10S2 724.2309 NA PeJP NA NA +PJ022334 GSSNDDM C25H40N8O15S 724.2334 NA PeJP NA NA +PJ022335 GSPCCQM C26H44N8O10S3 724.2343 NA PeJP NA NA +FL1CDAGS0003 4,2'-Dihydroxy-4',6'-dimethoxychalcone 4-O-(5'''-O-p-cinnamoyl)-apiofuranosyl-(1'''->2'')-glucoside C37H40O15 724.23672 488760-67-4 knapsack NA NA +FL2FDAGS0002 4'-Hydroxy-5,7-dimethoxyflavanone 4'-[2-(5-Cinnamoyl)-beta-D-apiofuranosyl]glucoside C37H40O15 724.23672 488760-66-3 knapsack NA NA +PJ022336 PCDDEF C30H40N6O13S 724.2374 NA PeJP NA NA +PJ022337 GEEEMM C27H44N6O13S2 724.2408 NA PeJP NA NA +PJ022338 SDDDHH C27H36N10O14 724.2413 NA PeJP NA NA +PJ022339 PCCEHH C28H40N10O9S2 724.2422 NA PeJP NA NA +PJ022340 SSSCNNN C24H40N10O14S 724.2446 NA PeJP NA NA +PJ022341 GGGGSSSCN C24H40N10O14S 724.2447 NA PeJP NA NA +PJ022342 GSPCCCR C25H44N10O9S3 724.2455 NA PeJP NA NA +PJ022343 CCQWW C33H40N8O7S2 724.2462 NA PeJP NA NA +MJ092094 Jaspamide; ?4,35-Isomer, 5?-hydroxy C36H45BrN4O7 724.247162 NA MeJP NA NA +PJ022344 SSCNEW C29H40N8O12S 724.2487 NA PeJP NA NA +PJ022345 GCMMHF C30H44N8O7S3 724.2495 NA PeJP NA NA +PJ022346 SSSSNDE C25H40N8O17 724.2512 NA PeJP NA NA +PJ022347 SNNEMM C26H44N8O12S2 724.252 NA PeJP NA NA +PJ022348 GGGGSEMM C26H44N8O12S2 724.2521 NA PeJP NA NA +PJ022349 CNYYY C34H40N6O10S 724.2527 NA PeJP NA NA +PJ022350 SPDDEY C30H40N6O15 724.2552 NA PeJP NA NA +PJ022351 EEMMW C31H44N6O10S2 724.2561 NA PeJP NA NA +MJ092095 2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?3)-[4-hydroxy-E-cinnamoyl-(?4)]-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C34H44O17 724.257849 NA MeJP NA NA +MJ092096 2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?3)-[4-hydroxy-Z-cinnamoyl-(?4)]-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C34H44O17 724.257849 NA MeJP NA NA +PJ022352 STEEEM C27H44N6O15S 724.2586 NA PeJP NA NA +PJ022353 SPEMMM C28H48N6O10S3 724.2594 NA PeJP NA NA +PJ022354 CNNNNF C28H40N10O11S 724.2599 NA PeJP NA NA +PJ022355 SCNDMR C25H44N10O11S2 724.2633 NA PeJP NA NA +PJ022356 GSSCWW C33H40N8O9S 724.2639 NA PeJP NA NA +PJ022357 GSSSSDW C29H40N8O14 724.2664 NA PeJP NA NA +PJ022358 GSNMMW C30H44N8O9S2 724.2673 NA PeJP NA NA +PJ022359 GSSSQEM C26H44N8O14S 724.2698 NA PeJP NA NA +PJ022360 DEEFW C34H40N6O12 724.2705 NA PeJP NA NA +PJ022361 GQQMMM C27H48N8O9S3 724.2707 NA PeJP NA NA +PJ022362 SCNQHH C27H40N12O10S 724.2711 NA PeJP NA NA +PJ022363 GGGGTCHH C27H40N12O10S 724.2712 NA PeJP NA NA +MJ092097 11-Hydroxymeliacarpin; 1-Cinnamoyl, 3-Ac C38H44O14 724.273106 NA MeJP NA NA +MJ092098 Febrinin B C38H44O14 724.273106 NA MeJP NA NA +PJ022364 GPEEMY C31H44N6O12S 724.2738 NA PeJP NA NA +PJ022365 PPCMMF C32H48N6O7S3 724.2747 NA PeJP NA NA +PJ022366 DMHHW C32H40N10O8S 724.2752 NA PeJP NA NA +PJ022367 SVEEMM C28H48N6O12S2 724.2772 NA PeJP NA NA +PJ022368 SNNNNY C28H40N10O13 724.2776 NA PeJP NA NA +PJ022369 GGSNNNY C28H40N10O13 724.2777 NA PeJP NA NA +PJ022370 PCLMMM C29H52N6O7S4 724.2781 NA PeJP NA NA +PJ022371 GTCCRW C29H44N10O8S2 724.2785 NA PeJP NA NA +PJ022372 GSSSCER C25H44N10O13S 724.281 NA PeJP NA NA +PJ022373 NNEYW C33H40N8O11 724.2817 NA PeJP NA NA +PJ022374 GCQMMR C26H48N10O8S3 724.2819 NA PeJP NA NA +PJ022375 CCKWW C34H44N8O6S2 724.2825 NA PeJP NA NA +PJ022376 SSSQMW C30H44N8O11S 724.285 NA PeJP NA NA +PJ022377 GGSSTMW C30H44N8O11S 724.2851 NA PeJP NA NA +PJ022378 SSSSTQE C26H44N8O16 724.2875 NA PeJP NA NA +PJ022379 GGSSSTTE C26H44N8O16 724.2876 NA PeJP NA NA +PJ022380 SNDKMM C27H48N8O11S2 724.2884 NA PeJP NA NA +PJ022381 GSSSNHH C27H40N12O12 724.2889 NA PeJP NA NA +PJ022382 PEMYW C35H44N6O9S 724.2891 NA PeJP NA NA +PJ022383 GVEEEY C31H44N6O14 724.2916 NA PeJP NA NA +PJ022384 SPPMMY C32H48N6O9S2 724.2924 NA PeJP NA NA +PJ022385 PVCEMF C32H48N6O9S2 724.2925 NA PeJP NA NA +PJ022386 GPNDHW C32H40N10O10 724.2929 NA PeJP NA NA +PJ022387 GCCMRR C25H48N12O7S3 724.2931 NA PeJP NA NA +MJ092099 Syriobioside; 12-Ketone, 3'-O-?-D-glucopyranoside C35H48O16 724.294235 NA MeJP NA NA +PJ022388 ALEMMM C29H52N6O9S3 724.2958 NA PeJP NA NA +PJ022389 SSSCRW C29H44N10O10S 724.2963 NA PeJP NA NA +PJ022390 GNYWW C37H40N8O8 724.2969 NA PeJP NA NA +PJ022391 SSSSSDR C25H44N10O15 724.2988 NA PeJP NA NA +MJ092100 Isothalictrine C41H44N2O10 724.299595 NA MeJP NA NA +PJ022392 STCQMR C26H48N10O10S2 724.2996 NA PeJP NA NA +PJ022393 SSNMMR C26H48N10O10S2 724.2997 NA PeJP NA NA +PJ022394 NQMFW C34H44N8O8S 724.3003 NA PeJP NA NA +PJ022395 GSSSTTW C30H44N8O13 724.3028 NA PeJP NA NA +PJ022396 GTCKMW C31H48N8O8S2 724.3037 NA PeJP NA NA +PJ022397 GNNHHF C31H40N12O9 724.3042 NA PeJP NA NA +PJ022398 GSSSKEM C27H48N8O13S 724.3062 NA PeJP NA NA +PJ022399 VEEYW C35H44N6O11 724.3068 NA PeJP NA NA +PJ022400 ANKMMM C28H52N8O8S3 724.307 NA PeJP NA NA +PJ022401 GQKMMM C28H52N8O8S3 724.3071 NA PeJP NA NA +PJ022402 SCNKHH C28H44N12O9S 724.3075 NA PeJP NA NA +MJ092101 4(20),12-Taxadiene-2,5,7,9,10,11,13-heptol, 5-Cinnamoyl, 2,7,9,10,13-penta-Ac C39H48O13 724.309491 NA MeJP NA NA +MJ092102 4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 11-Cinnamoyl, 3,6,7,9,20-penta-Ac C39H48O13 724.309491 NA MeJP NA NA +PJ022403 SPVEMY C32H48N6O11S 724.3102 NA PeJP NA NA +PJ022404 STCCRR C25H48N12O9S2 724.3109 NA PeJP NA NA +PJ022405 CNFRW C33H44N10O7S 724.3115 NA PeJP NA NA +PJ022406 GGCFRW C33H44N10O7S 724.3116 NA PeJP NA NA +PJ022407 TTLEMM C29H52N6O11S2 724.3136 NA PeJP NA NA +PJ022408 GSNERY C29H44N10O12 724.314 NA PeJP NA NA +PJ022409 GGGAPTEH C29H44N10O12 724.3141 NA PeJP NA NA +PJ022410 GLMMHH C30H48N10O7S2 724.3149 NA PeJP NA NA +PJ022411 GTHHHH C30H40N14O8 724.3154 NA PeJP NA NA +MJ092103 Cholest-9(11)-ene-3,6,20-triol, 6-O-(4-O-Sulfo-6-deoxy-?-D-glucopyranoside), 3-sulfate C33H56O13S2 724.316233 NA MeJP NA NA +PJ022412 GSSSTMR C26H48N10O12S 724.3174 NA PeJP NA NA +PJ022413 NDKYW C34H44N8O10 724.3181 NA PeJP NA NA +PJ022414 GCKMMR C27H52N10O7S3 724.3183 NA PeJP NA NA +PJ022415 SSSKMW C31H48N8O10S 724.3214 NA PeJP NA NA +PJ022416 GGGGALMY C31H48N8O10S 724.3215 NA PeJP NA NA +PJ022417 PPYYW C39H44N6O8 724.3221 NA PeJP NA NA +PJ022418 SSSSTKE C27H48N8O15 724.3239 NA PeJP NA NA +MJ092104 Pycnocomolide; 3'',4''-Methylenedioxy, 5''-methoxy C43H48O10 724.324747 NA MeJP NA NA +PJ022419 STQKMM C28H52N8O10S2 724.3248 NA PeJP NA NA +PJ022420 SPNDHR C28H44N12O11 724.3253 NA PeJP NA NA +PJ022421 LEMFW C36H48N6O8S 724.3255 NA PeJP NA NA +PJ022422 ATLEEY C32H48N6O13 724.328 NA PeJP NA NA +PJ022423 APLMMY C33H52N6O8S2 724.3288 NA PeJP NA NA +PJ022424 SNRYW C33H44N10O9 724.3293 NA PeJP NA NA +C08868 Hellebrin C36H52O15 724.3306 NA KEGG NA NA +MJ092105 3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnoside] C36H52O15 724.33062 NA MeJP NA NA +MJ092106 3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnoside] C36H52O15 724.33062 NA MeJP NA NA +MJ092107 3,8,14-Trihydroxybufa-4,20,22-trienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C36H52O15 724.33062 NA MeJP NA NA +MJ092108 7,8-Epoxy-3,11,14-trihydroxy-12-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-oleandroside] C36H52O15 724.33062 NA MeJP NA NA +MJ092109 7,8-Epoxy-3,12,14-trihydroxy-11-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-oleandroside] C36H52O15 724.33062 NA MeJP NA NA +MJ092110 Karatavicinol; 11'-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C36H52O15 724.33062 NA MeJP NA NA +PJ022425 SLLMMM C30H56N6O8S3 724.3322 NA PeJP NA NA +PJ022426 QQMRY C30H48N10O9S 724.3327 NA PeJP NA NA +PJ022427 QHFFF C38H44N8O7 724.3333 NA PeJP NA NA +PJ022428 SSSSTTR C26H48N10O14 724.3352 NA PeJP NA NA +MJ092111 Huangshanine; 6a,7-Didehydro C42H48N2O9 724.335981 NA MeJP NA NA +MJ092112 Thalibealine C42H48N2O9 724.335981 NA MeJP NA NA +PJ022429 STCKMR C27H52N10O9S2 724.336 NA PeJP NA NA +PJ022430 GNNQHR C27H44N14O10 724.3365 NA PeJP NA NA +PJ022431 NKMFW C35H48N8O7S 724.3367 NA PeJP NA NA +PJ022432 GTQKEY C31H48N8O12 724.3392 NA PeJP NA NA +PJ022433 PCCKKF C32H52N8O7S2 724.3401 NA PeJP NA NA +PJ022434 EHHFR C32H44N12O8 724.3405 NA PeJP NA NA +PJ022435 GSTTTKM C28H52N8O12S 724.3426 NA PeJP NA NA +PJ022436 SPPVYY C36H48N6O10 724.3432 NA PeJP NA NA +PJ022437 GKKMMM C29H56N8O7S3 724.3434 NA PeJP NA NA +PJ022438 CQRRY C29H48N12O8S 724.3439 NA PeJP NA NA +PJ022439 VHHFW C37H44N10O6 724.3446 NA PeJP NA NA +PJ022440 GLLEMY C33H52N6O10S 724.3466 NA PeJP NA NA +PJ022441 GSDKRY C30H48N10O11 724.3504 NA PeJP NA NA +PJ022442 GGGGVLEH C30H48N10O11 724.3505 NA PeJP NA NA +PJ022443 TQKYW C35H48N8O9 724.3544 NA PeJP NA NA +PJ022444 GATKYW C35H48N8O9 724.3545 NA PeJP NA NA +PJ022445 GPCHRR C28H48N14O7S 724.3552 NA PeJP NA NA +PJ022446 GVQKMY C32H52N8O9S 724.3578 NA PeJP NA NA +PJ022447 PLFYW C40H48N6O7 724.3585 NA PeJP NA NA +2638 synthetic fr, of human beta-CN (41-52) ACE inhibitor YPSFQPQPLIYP 724.359 MH2+ Inhouse_peptide NA peptide +PJ022448 SSTTTTK C28H52N8O14 724.3603 NA PeJP NA NA +PJ022449 STKKMM C29H56N8O9S2 724.3612 NA PeJP NA NA +PJ022450 GSSRRY C29H48N12O10 724.3617 NA PeJP NA NA +PJ022451 LLMYW C37H52N6O7S 724.3618 NA PeJP NA NA +PJ022452 APLMFF C37H52N6O7S 724.3619 NA PeJP NA NA +PJ022453 STLLEY C33H52N6O12 724.3643 NA PeJP NA NA +PJ022454 ALLMMF C34H56N6O7S2 724.3652 NA PeJP NA NA +PJ022455 GPTKHW C34H48N10O8 724.3657 NA PeJP NA NA +MJ092113 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C37H56O14 724.367006 NA MeJP NA NA +MJ092114 Swalpamycin C37H56O14 724.367006 NA MeJP NA NA +7021 synthetic peptide from alpha-gliadin VLQQSTYQLLQE 724.368 MH2+ Inhouse_peptide NA peptide +PJ022456 QKMRY C31H52N10O8S 724.369 NA PeJP NA NA +PJ022457 GAKMRY C31H52N10O8S 724.3691 NA PeJP NA NA +PJ022458 KHFFF C39H48N8O6 724.3697 NA PeJP NA NA +PJ022459 QEHRR C28H48N14O9 724.3729 NA PeJP NA NA +PJ022460 GTKKEY C32H52N8O11 724.3756 NA PeJP NA NA +PJ022461 VQHRW C33H48N12O7 724.3769 NA PeJP NA NA +PJ022462 GPLLYY C37H52N6O9 724.3796 NA PeJP NA NA +PJ022463 CKRRY C30H52N12O7S 724.3803 NA PeJP NA NA +PJ022464 SVLLMY C34H56N6O9S 724.383 NA PeJP NA NA +PJ022465 GTTKRY C31H52N10O10 724.3868 NA PeJP NA NA +PJ022466 AHRRW C32H48N14O6 724.3882 NA PeJP NA NA +PJ022467 TKKYW C36H52N8O8 724.3908 NA PeJP NA NA +PJ022468 GGPPVLW C36H52N8O8 724.3909 NA PeJP NA NA +PJ022469 GVKKMY C33H56N8O8S 724.3942 NA PeJP NA NA +PJ022470 LLFFW C41H52N6O6 724.3949 NA PeJP NA NA +PJ022471 SPTKHR C30H52N12O9 724.398 NA PeJP NA NA +PJ022472 APPERR C30H52N12O9 724.3981 NA PeJP NA NA +PJ022473 GPPLRW C35H52N10O7 724.4021 NA PeJP NA NA +MJ092115 12-Oleanene-3,16,21,22,23,28-hexol, 28-Ac, 3-O-?-D-glucuronopyranoside C38H60O13 724.403392 NA MeJP NA NA +MJ092116 3-Hydroxyspirostan-6-one, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C38H60O13 724.403392 NA MeJP NA NA +MJ092117 Spirost-5-ene-1,3,24-triol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C38H60O13 724.403392 NA MeJP NA NA +PJ022474 KKMRY C32H56N10O7S 724.4054 NA PeJP NA NA +PJ022475 PPPKMR C32H56N10O7S 724.4055 NA PeJP NA NA +PJ022476 KEHRR C29H52N14O8 724.4093 NA PeJP NA NA +PJ022477 SSLKKY C33H56N8O10 724.412 NA PeJP NA NA +PJ022478 VKHRW C34H52N12O6 724.4133 NA PeJP NA NA +PJ022479 GLLLFY C38H56N6O8 724.416 NA PeJP NA NA +MJ092118 Roseolide A C42H60O10 724.418648 NA MeJP NA NA +PJ022480 THRRR C28H52N16O7 724.4205 NA PeJP NA NA +PJ022481 PPVKER C32H56N10O9 724.4232 NA PeJP NA NA +MJ092119 Antibiotic L 156373, 1-(N-Hydroxy-L-leucine), 6-L-isoleucine analogue C37H56N8O7 724.427196 NA MeJP NA NA +MJ092120 Unguisin B C37H56N8O7 724.427196 NA MeJP NA NA +PJ022482 PPVVKW C37H56N8O7 724.4272 NA PeJP NA NA +PJ022483 VLLLMH C34H60N8O7S 724.4306 NA PeJP NA NA +PJ022484 SPPLRR C31H56N12O8 724.4344 NA PeJP NA NA +PJ022485 GGAKKKH C31H56N12O8 724.4345 NA PeJP NA NA +PJ022486 KKFFR C36H56N10O6 724.4385 NA PeJP NA NA +MJ092121 16,22-Dihydroxycholest-4-en-3-one, 16-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C39H64O12 724.439777 NA MeJP NA NA +MJ092122 16,22-Dihydroxycholest-4-en-3-one, 16-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-galactopyranoside] C39H64O12 724.439777 NA MeJP NA NA +MJ092123 Ergosta-8(14),22-diene-3,6,15,26-tetrol, 26-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] C39H64O12 724.439777 NA MeJP NA NA +MJ092124 Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Digitoxopyranosyl-(1?4)-O-?-D-digitoxopyranosyl-(1?4)-O-?-D-digitoxopyranoside] C39H64O12 724.439777 NA MeJP NA NA +MJ092125 Spirostan-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C39H64O12 724.439777 NA MeJP NA NA +MJ092126 Spirostan-3-ol, 3-O-[?-D-Fucopyranosyl-(1?6)-?-D-glucopyranoside] C39H64O12 724.439777 NA MeJP NA NA +MJ092127 Spirostane-3,6-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside] C39H64O12 724.439777 NA MeJP NA NA +MJ092128 Spirostane-3,6-diol, 6-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranoside] C39H64O12 724.439777 NA MeJP NA NA +PJ022487 GPPTLLK C34H60N8O9 724.4484 NA PeJP NA NA +3883 temporin B LLPIVGNLLKSLLG 724.45945 MH2+ Inhouse_peptide NA peptide +PJ022488 PVLLQR C33H60N10O8 724.4596 NA PeJP NA NA +PJ022489 APLLRR C32H60N12O7 724.4708 NA PeJP NA NA +MJ092129 Abierixin C40H68O11 724.476163 NA MeJP NA NA +MJ092130 Antibiotic A 110; Antibiotic A 110-1 C40H68O11 724.476163 NA MeJP NA NA +MJ092131 Antibiotic SS 49 C40H68O11 724.476163 NA MeJP NA NA +MJ092132 Antibiotic TAN 1460B C40H68O11 724.476163 NA MeJP NA NA +MJ092133 Antibiotic TM 582 C40H68O11 724.476163 NA MeJP NA NA +MJ092134 Nigericin C40H68O11 724.476163 NA MeJP NA NA +C11609 Nigericin C40H68O11 724.4762 NA KEGG NA NA +PJ022490 AAPLLLK C35H64N8O8 724.4848 NA PeJP NA NA +MJ092135 Chimeramycin A; O-De(2,6-dideoxy-3-C-methyl-ribo-hexosyl), O-de-Ac C39H68N2O10 724.487396 NA MeJP NA NA +PJ022491 PVLLKR C34H64N10O7 724.496 NA PeJP NA NA +MJ092136 1,2-Di-O-acylglycerols; Glycerol 1-(9Z,12Z,15Z-octadecatrienoate) 2-tetradecanoate, 3-O-?-D-Galactopyranoside (2S-) C41H72O10 724.512548 NA MeJP NA NA +EUR1084 SM(d18:1/18:3) monoisotopic mass C41H77N2O6P 724.551926 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1084 SM(d18:1/18:3) monoisotopic mass C41H77N2O6P 724.551926 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1084 SM(d18:1/18:3) monoisotopic mass C41H77N2O6P 724.551926 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1084 SM(d18:1/18:3) monoisotopic mass C41H77N2O6P 724.551926 masses lipides attendues Inhousejuil11 NA NA +MJ092137 Bacterioruberin; 3''-Deoxy, 2'',3''-didehydro, 3',4'-dihydro C50H76O3 724.579446 NA MeJP NA NA +HMDB07587 DG(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)/0:0) C47H80O5 724.600586 NA HMDB2010 NA NA +HMDB07614 DG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C47H80O5 724.600586 NA HMDB2010 NA NA +HMDB07641 DG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C47H80O5 724.600586 NA HMDB2010 NA NA +HMDB07642 DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C47H80O5 724.600586 NA HMDB2010 NA NA +HMDB07669 DG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C47H80O5 724.600586 NA HMDB2010 NA NA +HMDB07697 DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0) C47H80O5 724.600586 NA HMDB2010 NA NA +HMDB07725 DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/0:0) C47H80O5 724.600586 NA HMDB2010 NA NA +HMDB07754 DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/0:0) C47H80O5 724.600586 NA HMDB2010 NA NA +HMDB07782 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0) C47H80O5 724.600586 NA HMDB2010 NA NA +HMDB07839 DG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C47H80O5 724.600586 NA HMDB2010 NA NA +MJ092138 20(29)-Lupene-3,7,15-triol, 3-Octadecanoyl C48H84O4 724.636961 NA MeJP NA NA +MJ092139 Anomoian A C24H31Br4N3O3 724.909892 NA MeJP NA NA +C06230 Fe-enterobactin C30H27FeN3O15 725.0792 NA KEGG NA NA +FL7AAGGL0036 Delphinidin 3,5-diglucoside-6''-O-4, 6'''-O-1-cyclic-malyl diester C31H33O20 725.15651 - knapsack NA NA +PJ022492 GTCCCCH C24H39N9O9S4 725.1754 NA PeJP NA NA +PJ022493 GSCDDDD C24H35N7O17S 725.181 NA PeJP NA NA +PJ022494 GPCCCDE C25H39N7O12S3 725.1819 NA PeJP NA NA +FL7AAIGL0030 Malvidin 3-O-(6-O-(4-O-malonyl-alpha-rhamnopyranosyl)-beta-glucopyranoside C32H37O19 725.1929 - knapsack NA NA +PJ022495 SSSCCCH C24H39N9O11S3 725.1931 NA PeJP NA NA +PJ022496 PCCCDW C29H39N7O9S3 725.1972 NA PeJP NA NA +PJ022497 CNDDEM C25H39N7O14S2 725.1997 NA PeJP NA NA +PJ022498 PPTCCCC C26H43N7O9S4 725.2005 NA PeJP NA NA +FL7AAAGL0021 Pelargonidin 3-(4'''-p-coumarylrutinoside) C36H37O16 725.20816 - knapsack NA NA +PJ022499 CCCNHF C28H39N9O8S3 725.2084 NA PeJP NA NA +PJ022500 CCDDDR C24H39N9O13S2 725.2109 NA PeJP NA NA +PJ022501 GCDDMW C29H39N7O11S2 725.2149 NA PeJP NA NA +PJ022502 GSSDDDM C25H39N7O16S 725.2174 NA PeJP NA NA +PJ022503 GSPCCEM C26H43N7O11S3 725.2183 NA PeJP NA NA +PJ022504 SCCNNW C28H39N9O10S2 725.2262 NA PeJP NA NA +PJ022505 SSSCNND C24H39N9O15S 725.2286 NA PeJP NA NA +PJ022506 GGSSSCND C24H39N9O15S 725.2287 NA PeJP NA NA +PJ022507 CNNNMM C25H43N9O10S3 725.2295 NA PeJP NA NA +PJ022508 GGGGGGCMM C25H43N9O10S3 725.2296 NA PeJP NA NA +PJ022509 CCEWW C33H39N7O8S2 725.2302 NA PeJP NA NA +PJ022510 SSCDEW C29H39N7O13S 725.2327 NA PeJP NA NA +PJ022511 SPCCMW C30H43N7O8S3 725.2335 NA PeJP NA NA +PJ022512 GPPCCCF C30H43N7O8S3 725.2336 NA PeJP NA NA +PJ022513 SSSSDDE C25H39N7O18 725.2352 NA PeJP NA NA +PJ022514 SPTTCCD C26H43N7O13S2 725.236 NA PeJP NA NA +PJ022515 SNDEMM C26H43N7O13S2 725.2361 NA PeJP NA NA +PJ022516 CDYYY C34H39N5O11S 725.2367 NA PeJP NA NA +PJ022517 PCNMMM C27H47N7O8S4 725.2369 NA PeJP NA NA +PJ022518 CCCNQR C24H43N11O9S3 725.2408 NA PeJP NA NA +PJ022519 CNNNDF C28H39N9O12S 725.2439 NA PeJP NA NA +PJ022520 SCDDMR C25H43N9O12S2 725.2473 NA PeJP NA NA +PJ022521 GNDEEY C29H39N7O15 725.2504 NA PeJP NA NA +PJ022522 GGGDEEY C29H39N7O15 725.2505 NA PeJP NA NA +PJ022523 GSDMMW C30H43N7O10S2 725.2513 NA PeJP NA NA +PJ022524 GSSSEEM C26H43N7O15S 725.2538 NA PeJP NA NA +PJ022525 GQEMMM C27H47N7O10S3 725.2547 NA PeJP NA NA +PJ022526 SCNEHH C27H39N11O11S 725.2552 NA PeJP NA NA +PJ022527 CMFYY C35H43N5O8S2 725.2553 NA PeJP NA NA +PJ022528 GSSCCNR C24H43N11O11S2 725.2585 NA PeJP NA NA +PJ022529 SNNNDY C28H39N9O14 725.2617 NA PeJP NA NA +PJ022530 SSSSNNM C25H43N9O14S 725.265 NA PeJP NA NA +PJ022531 GGGGSSSSM C25H43N9O14S 725.2651 NA PeJP NA NA +PJ022532 NDEYW C33H39N7O12 725.2657 NA PeJP NA NA +PJ022533 GCEMMR C26H47N9O9S3 725.2659 NA PeJP NA NA +PJ022534 TCMWW C34H43N7O7S2 725.2666 NA PeJP NA NA +PJ022535 SSSEMW C30H43N7O12S 725.2691 NA PeJP NA NA +PJ022536 QMMMW C31H47N7O7S3 725.2699 NA PeJP NA NA +PJ022537 GSCHHW C31H39N11O8S 725.2704 NA PeJP NA NA +PJ022538 SSSSTEE C26H43N7O17 725.2716 NA PeJP NA NA +PJ022539 STQEMM C27H47N7O12S2 725.2724 NA PeJP NA NA +PJ022540 GSSSDHH C27H39N11O13 725.2729 NA PeJP NA NA +PJ022541 SMYYY C35H43N5O10S 725.2731 NA PeJP NA NA +PJ022542 GNMMHH C28H43N11O8S2 725.2738 NA PeJP NA NA +PJ022543 GPDDHW C32H39N9O11 725.2769 NA PeJP NA NA +PJ022544 CCCNKR C25H47N11O8S3 725.2771 NA PeJP NA NA +PJ022545 GGCCCKR C25H47N11O8S3 725.2772 NA PeJP NA NA +PJ022546 GNNQMY C29H43N9O11S 725.2803 NA PeJP NA NA +PJ022547 GDYWW C37H39N7O9 725.281 NA PeJP NA NA +PJ022548 CMMRW C30H47N9O6S3 725.2812 NA PeJP NA NA +PJ022549 GSSSSSSQ C25H43N9O16 725.2828 NA PeJP NA NA +PJ022550 SSDMMR C26H47N9O11S2 725.2837 NA PeJP NA NA +PJ022551 NNNNNH C26H39N13O12 725.2841 NA PeJP NA NA +PJ022552 GGGGNNNH C26H39N13O12 725.2842 NA PeJP NA NA +PJ022553 GPTCYW C34H43N7O9S 725.2843 NA PeJP NA NA +PJ022554 ACCHHR C27H43N13O7S2 725.285 NA PeJP NA NA +PJ022555 GTQEEY C30H43N7O14 725.2868 NA PeJP NA NA +PJ022556 GTTMMW C31H47N7O9S2 725.2877 NA PeJP NA NA +PJ022557 GNDHHF C31H39N11O10 725.2882 NA PeJP NA NA +PJ022558 CFFFY C39H43N5O7S 725.2883 NA PeJP NA NA +PJ022559 GSTTTEM C27H47N7O14S 725.2902 NA PeJP NA NA +PJ022560 GKEMMM C28H51N7O9S3 725.2911 NA PeJP NA NA +PJ022561 GCNNRY C28H43N11O10S 725.2915 NA PeJP NA NA +PJ022562 GGGGGCRY C28H43N11O10S 725.2916 NA PeJP NA NA +PJ022563 CDFRW C33H43N9O8S 725.2956 NA PeJP NA NA +PJ022564 SSNQQY C29H43N9O13 725.298 NA PeJP NA NA +PJ022565 GSDERY C29H43N9O13 725.2981 NA PeJP NA NA +PJ022566 GPCMRY C30H47N9O8S2 725.2989 NA PeJP NA NA +PJ022567 GMFWW C38H43N7O6S 725.2996 NA PeJP NA NA +PJ022568 SSSSCQK C26H47N9O13S 725.3014 NA PeJP NA NA +PJ022569 TQEYW C34H43N7O11 725.3021 NA PeJP NA NA +PJ022570 GTMMMR C27H51N9O8S3 725.3023 NA PeJP NA NA +PJ022571 SSCHHR C27H43N13O9S 725.3028 NA PeJP NA NA +PJ022572 STTTMW C31H47N7O11S 725.3054 NA PeJP NA NA +PJ022573 GVQEMY C31H47N7O11S 725.3055 NA PeJP NA NA +PJ022574 AFYYY C39H43N5O9 725.3061 NA PeJP NA NA +PJ022575 KMMMW C32H51N7O6S3 725.3063 NA PeJP NA NA +PJ022576 SSTTTTE C27H47N7O16 725.3079 NA PeJP NA NA +PJ022577 STKEMM C28H51N7O11S2 725.3088 NA PeJP NA NA +PJ022578 SPDDHR C28H43N11O12 725.3093 NA PeJP NA NA +PJ022579 ACKMHH C29H47N11O7S2 725.3102 NA PeJP NA NA +PJ022580 SDRYW C33H43N9O10 725.3133 NA PeJP NA NA +PJ022581 QEMRY C30H47N9O10S 725.3167 NA PeJP NA NA +PJ022582 ATYWW C38H43N7O8 725.3173 NA PeJP NA NA +PJ022583 GSSSSSSK C26H47N9O15 725.3192 NA PeJP NA NA +PJ022584 STTMMR C27H51N9O10S2 725.32 NA PeJP NA NA +PJ022585 GSTCCKK C27H51N9O10S2 725.3201 NA PeJP NA NA +PJ022586 GNNEHR C27H43N13O11 725.3205 NA PeJP NA NA +PJ022587 GGGGGEHR C27H43N13O11 725.3206 NA PeJP NA NA +PJ022588 VQMYW C35H47N7O8S 725.3207 NA PeJP NA NA +PJ022589 GTKEEY C31H47N7O13 725.3232 NA PeJP NA NA +PJ022590 GPKMMY C32H51N7O8S2 725.3241 NA PeJP NA NA +PJ022591 QQQHW C32H43N11O9 725.3245 NA PeJP NA NA +PJ022592 GAQQHW C32H43N11O9 725.3246 NA PeJP NA NA +PJ022593 SSSTTLM C28H51N7O13S 725.3266 NA PeJP NA NA +PJ022594 SVKMMM C29H55N7O8S3 725.3274 NA PeJP NA NA +PJ022595 TCLKMM C29H55N7O8S3 725.3275 NA PeJP NA NA +PJ022596 CERRY C29H47N11O9S 725.3279 NA PeJP NA NA +PJ022597 PTHWW C37H43N9O7 725.3286 NA PeJP NA NA +PJ022598 AMRYW C34H47N9O7S 725.3319 NA PeJP NA NA +PJ022599 GPVMHW C34H47N9O7S 725.332 NA PeJP NA NA +PJ022600 GTTERY C30H47N9O12 725.3344 NA PeJP NA NA +PJ022601 GGGGSTKY C30H47N9O12 725.3345 NA PeJP NA NA +PJ022602 AAMMFR C31H51N9O7S2 725.3353 NA PeJP NA NA +PJ022603 NNHRW C31H43N13O8 725.3358 NA PeJP NA NA +PJ022604 SSSSCKK C27H51N9O12S 725.3378 NA PeJP NA NA +PJ022605 TKEYW C35H47N7O10 725.3385 NA PeJP NA NA +3637 NA YPFGFP~ 725.34 ACE inhibitor Inhouse_peptide NA peptide +MJ092140 2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-(3S-Dimethylamino-2S-hydroxy-3-phenylpropanoyl), 2,7,10,13-tetra-Ac C39H51NO12 725.341126 NA MeJP NA NA +MJ092141 Austrotaxine; O2'-De-Ac C39H51NO12 725.341126 NA MeJP NA NA +PJ022606 GVKEMY C32H51N7O10S 725.3418 NA PeJP NA NA +PJ022607 GPPPVEM C32H51N7O10S 725.3419 NA PeJP NA NA +PJ022608 PMHRW C33H47N11O6S 725.3432 NA PeJP NA NA +PJ022609 TTTTTTT C28H51N7O15 725.3443 NA PeJP NA NA +PJ022610 GVEEHR C29H47N11O11 725.3457 NA PeJP NA NA +PJ022611 TTRYW C34H47N9O9 725.3497 NA PeJP NA NA +PJ022612 KEMRY C31H51N9O9S 725.3531 NA PeJP NA NA +PJ022613 VQFFW C39H47N7O7 725.3537 NA PeJP NA NA +MJ092142 Myomycin B C27H51N9O14 725.355547 NA MeJP NA NA +PJ022614 EEHRR C28H47N13O10 725.3569 NA PeJP NA NA +PJ022615 VKMYW C36H51N7O7S 725.3571 NA PeJP NA NA +PJ022616 SSLKEY C32H51N7O12 725.3596 NA PeJP NA NA +PJ022617 GLKMMF C33H55N7O7S2 725.3605 NA PeJP NA NA +PJ022618 VEHRW C33H47N11O8 725.3609 NA PeJP NA NA +PJ022619 GGGPPRW C33H47N11O8 725.361 NA PeJP NA NA +PJ022620 TMRRY C30H51N11O8S 725.3643 NA PeJP NA NA +PJ022621 VVHWW C38H47N9O6 725.365 NA PeJP NA NA +PJ022622 GSNHRR C27H47N15O9 725.3682 NA PeJP NA NA +MJ092143 Aspergillic acid, Fe complex C36H57FeN6O6 725.3689 NA MeJP NA NA +MJ092144 Ferrineoaspergillin C36H57FeN6O6 725.3689 NA MeJP NA NA +PJ022623 SSTLRY C31H51N9O11 725.3708 NA PeJP NA NA +PJ022624 GGAAPPKE C31H51N9O11 725.3709 NA PeJP NA NA +PJ022625 APKHHH C32H47N13O7 725.3722 NA PeJP NA NA +PJ022626 APTKFY C36H51N7O9 725.3748 NA PeJP NA NA +MJ092145 Blattella Allatostatic neuropeptide 1 C36H51N7O9 725.374826 NA MeJP NA NA +PJ022627 PPVVEW C36H51N7O9 725.3749 NA PeJP NA NA +PJ022628 ATLKMY C33H55N7O9S 725.3782 NA PeJP NA NA +PJ022629 ATLEHR C30H51N11O10 725.3821 NA PeJP NA NA +PJ022630 GTLLHW C35H51N9O8 725.3861 NA PeJP NA NA +MJ092146 Monamycins; Monamycin H1 C34H56ClN7O8 725.387889 NA MeJP NA NA +MJ092147 Monamycins; Monamycin H2 C34H56ClN7O8 725.387889 NA MeJP NA NA +PJ022631 GCKKKY C32H55N9O8S 725.3895 NA PeJP NA NA +PJ022632 VKFFW C40H51N7O6 725.3901 NA PeJP NA NA +PJ022633 SPPNRR C29H51N13O9 725.3933 NA PeJP NA NA +PJ022634 TTTLKY C33H55N7O11 725.396 NA PeJP NA NA +PJ022635 QKKHW C34H51N11O7 725.3973 NA PeJP NA NA +PJ022636 GLLMHR C31H55N11O7S 725.4007 NA PeJP NA NA +PJ022637 SLLKEH C32H55N9O10 725.4072 NA PeJP NA NA +PJ022638 PPTLLW C37H55N7O8 725.4112 NA PeJP NA NA +PJ022639 GPPVLLM C34H59N7O8S 725.4146 NA PeJP NA NA +PJ022640 VTTLHR C31H55N11O9 725.4184 NA PeJP NA NA +PJ022641 STLLHR C31H55N11O9 725.4185 NA PeJP NA NA +PJ022642 APPKKW C36H55N9O7 725.4225 NA PeJP NA NA +PJ022643 PPLLMR C33H59N9O7S 725.4259 NA PeJP NA NA +PJ022644 GPLQRR C30H55N13O8 725.4297 NA PeJP NA NA +PJ022645 AAPLLLE C34H59N7O10 725.4324 NA PeJP NA NA +PJ022646 KKKHW C35H55N11O6 725.4337 NA PeJP NA NA +MJ092148 Antibiotic YT 3927 C38H63NO12 725.435026 NA MeJP NA NA +MJ092149 Obtusine; 3-O-[6-Deoxy-3-O-methyl-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C38H63NO12 725.435026 NA MeJP NA NA +PJ022647 AAPRRR C29H55N15O7 725.4409 NA PeJP NA NA +PJ022648 PVLLER C33H59N9O9 725.4436 NA PeJP NA NA +PJ022649 PVVLLW C38H59N7O7 725.4476 NA PeJP NA NA +PJ022650 PPTKKR C32H59N11O8 725.4548 NA PeJP NA NA +PJ022651 GGPVLKR C32H59N11O8 725.4549 NA PeJP NA NA +PJ022652 GPLKRR C31H59N13O7 725.4661 NA PeJP NA NA +PJ022653 GPTLLLL C35H63N7O9 725.4688 NA PeJP NA NA +PJ022654 PLLQKK C34H63N9O8 725.48 NA PeJP NA NA +PJ022655 PVVKKR C33H63N11O7 725.4912 NA PeJP NA NA +MJ092150 Kailuin; !Kailuin B C37H67N5O9 725.493878 NA MeJP NA NA +MJ092151 Kailuin; !Kailuin C C37H67N5O9 725.493878 NA MeJP NA NA +HMDB07877 PC(14:0/18:4(6Z,9Z,12Z,15Z)) C40H72NO8P 725.499573 NA HMDB2010 NA NA +HMDB07908 PC(14:1(9Z)/18:3(6Z,9Z,12Z)) C40H72NO8P 725.499573 NA HMDB2010 NA NA +HMDB07909 PC(14:1(9Z)/18:3(9Z,12Z,15Z)) C40H72NO8P 725.499573 NA HMDB2010 NA NA +HMDB08164 PC(18:3(6Z,9Z,12Z)/14:1(9Z)) C40H72NO8P 725.499573 NA HMDB2010 NA NA +HMDB08197 PC(18:3(9Z,12Z,15Z)/14:1(9Z)) C40H72NO8P 725.499573 NA HMDB2010 NA NA +HMDB08229 PC(18:4(6Z,9Z,12Z,15Z)/14:0) C40H72NO8P 725.499573 NA HMDB2010 NA NA +HMDB08904 PE(15:0/20:4(5Z,8Z,11Z,14Z)) C40H72NO8P 725.499573 NA HMDB2010 NA NA +HMDB08905 PE(15:0/20:4(8Z,11Z,14Z,17Z)) C40H72NO8P 725.499573 NA HMDB2010 NA NA +HMDB09384 PE(20:4(5Z,8Z,11Z,14Z)/15:0) C40H72NO8P 725.499573 NA HMDB2010 NA NA +HMDB09417 PE(20:4(8Z,11Z,14Z,17Z)/15:0) C40H72NO8P 725.499573 NA HMDB2010 NA NA +PJ022656 AAILLLL C36H67N7O8 725.5051 NA PeJP NA NA +PJ022657 AALLLLL C36H67N7O8 725.5052 NA PeJP NA NA +MJ092152 1,1'-([1,1'-Bicyclohexyl]-4,4'-diyldi-2,1-ethanediyl)bis[1,2-dimethylpiperidinium](2+) C30H58N22(+) 725.513654 NA MeJP NA NA +MJ092153 1,1'-([1,1'-Bicyclohexyl]-4,4'-diyldi-2,1-ethanediyl)bis[1,3-dimethylpiperidinium](2+) C30H58N22(+) 725.513654 NA MeJP NA NA +MJ092154 1,1'-([1,1'-Bicyclohexyl]-4,4'-diyldi-2,1-ethanediyl)bis[1,4-dimethylpiperidinium](2+) C30H58N22(+) 725.513654 NA MeJP NA NA +PJ022658 VLLLLR C35H67N9O7 725.5164 NA PeJP NA NA +HMDB09116 PE(18:2(9Z,12Z)/P-18:1(11Z)) C41H76NO7P 725.53595 NA HMDB2010 NA NA +HMDB09117 PE(18:2(9Z,12Z)/P-18:1(9Z)) C41H76NO7P 725.53595 NA HMDB2010 NA NA +HMDB09148 PE(18:3(6Z,9Z,12Z)/P-18:0) C41H76NO7P 725.53595 NA HMDB2010 NA NA +HMDB09181 PE(18:3(9Z,12Z,15Z)/P-18:0) C41H76NO7P 725.53595 NA HMDB2010 NA NA +HMDB09345 PE(20:3(5Z,8Z,11Z)/P-16:0) C41H76NO7P 725.53595 NA HMDB2010 NA NA +HMDB09378 PE(20:3(8Z,11Z,14Z)/P-16:0) C41H76NO7P 725.53595 NA HMDB2010 NA NA +HMDB11350 PE(P-16:0/20:3(5Z,8Z,11Z)) C41H76NO7P 725.53595 NA HMDB2010 NA NA +HMDB11351 PE(P-16:0/20:3(8Z,11Z,14Z)) C41H76NO7P 725.53595 NA HMDB2010 NA NA +HMDB11377 PE(P-18:0/18:3(6Z,9Z,12Z)) C41H76NO7P 725.53595 NA HMDB2010 NA NA +HMDB11378 PE(P-18:0/18:3(9Z,12Z,15Z)) C41H76NO7P 725.53595 NA HMDB2010 NA NA +HMDB11409 PE(P-18:1(11Z)/18:2(9Z,12Z)) C41H76NO7P 725.53595 NA HMDB2010 NA NA +HMDB11442 PE(P-18:1(9Z)/18:2(9Z,12Z)) C41H76NO7P 725.53595 NA HMDB2010 NA NA +MJ092155 2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxyhexadecanoyl), 1-O-?-D-glucopyranoside C41H75NO9 725.544183 NA MeJP NA NA +EUR1065 SM(d18:1/16:0) [M+Na]+ C39H80N2O6P 725.557347 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1065 SM(d18:1/16:0) [M+Na]+ C39H80N2O6P 725.557347 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1065 SM(d18:1/16:0) [M+Na]+ C39H80N2O6P 725.557347 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1065 SM(d18:1/16:0) [M+Na]+ C39H80N2O6P 725.557347 masses lipides attendues Inhousejuil11 NA NA +HMDB04970 Glucosylceramide (d18:1/9Z-18:1) C42H79NO8 725.580566 NA HMDB2010 NA NA +HMDB10714 Galactosylceramide (d18:1/18:1(9Z)) C42H79NO8 725.580566 NA HMDB2010 NA NA +HMDB04970 Glucosylceramide (d18:1/9Z-18:1) C42H79NO8 725.58057 http://www.hmdb.ca/metabolites/HMDB04970 HMDB NA NA +HMDB04970 Glucosylceramide (d18:1/9Z-18:1) C42H79NO8 725.58057 HMDB04970 PFEM_hmdb_metabocards_official NA NA +MJ092156 Antibiotic Sch 52900 C31H30N6O7S4 726.10588 NA MeJP NA NA +MJ092157 4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Ph glycoside, 6,6'-ditosyl C32H38O15S2 726.165211 NA MeJP NA NA +MJ092158 Betanidin; 15-Epimer, 5-O-[?-D-glucuronopyranosyl-(1?2)-?-D-glucopyranoside] C30H34N2O19 726.175576 NA MeJP NA NA +MJ092159 Betanidin; 5-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucopyranoside] C30H34N2O19 726.175576 NA MeJP NA NA +C08537 Amaranthin C30H34N2O19 726.1756 NA KEGG NA NA +PJ022659 CCCMMH C25H42N8O7S5 726.178 NA PeJP NA NA +MJ092160 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-(4-hydroxycinnamoyl)-(?6)-?-D-glucopyranoside](E)- C35H35O17(+) 726.179599 NA MeJP NA NA +MJ092161 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-(4-hydroxycinnamoyl)-(?6)-?-D-glucopyranoside](Z-) C35H35O17(+) 726.179599 NA MeJP NA NA +PJ022660 CDDDEM C25H38N6O15S2 726.1837 NA PeJP NA NA +PJ022661 GCCCNNN C23H38N10O11S3 726.1884 NA PeJP NA NA +C08547 Gomphrenin-V C34H34N2O16 726.1908 NA KEGG NA NA +C08552 Lampranthin II C34H34N2O16 726.1908 NA KEGG NA NA +MJ092162 Betanidin; 15-Epimer, 6-O-[4-hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranoside] C34H34N2O16 726.190833 NA MeJP NA NA +MJ092163 Betanidin; 5-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C34H34N2O16 726.190833 NA MeJP NA NA +MJ092164 Betanidin; 6-O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranoside] C34H34N2O16 726.190833 NA MeJP NA NA +PJ022662 CCCDHF C28H38N8O9S3 726.1924 NA PeJP NA NA +FL2FAAGS0013 Prunin 3'',6''-di-p-coumarate C39H34O14 726.19485 84823-66-5 knapsack NA NA +MJ092165 4',5,7-Trihydroxyflavanone, 7-O-[3,6-Bis-O-(4-hydroxycinnamoyl)-?-D-glucopyranoside] C39H34O14 726.194855 NA MeJP NA NA +PJ022663 GSCCNDE C24H38N8O14S2 726.1949 NA PeJP NA NA +PJ022664 GPCCCNM C25H42N8O9S4 726.1958 NA PeJP NA NA +FL3FAACS0036 Schaftoside 6''-O-glucoside C32H38O19 726.20072 94530-41-3 knapsack NA NA +FL3FAADS0011 Isovitexin 7-O-xyloside-2''-O-glucoside C32H38O19 726.20072 84842-16-0 knapsack NA NA +FL3FAADS0013 Isomollupentin 7,2''-di-O-glucoside C32H38O19 726.20072 72277-61-3 knapsack NA NA +FL3FAADS0020 Isoschaftoside 4'-O-glucoside C32H38O19 726.20072 151922-19-9 knapsack NA NA +FL3FAADS0021 Schaftoside 4'-O-glucoside C32H38O19 726.20072 151922-20-2 knapsack NA NA +FL3FAADS0033 Isovitexin 7-O-glucoside 2''-O-arabinoside C32H38O19 726.20072 89648-73-7 knapsack NA NA +FL3FAADS0034 Isovitexin 7-O-galactoside 2''-O-arabinoside C32H38O19 726.20072 87551-96-0 knapsack NA NA +FL3FAADS0036 Isovitexin 7-O-arabinoside 2''-O-glucoside C32H38O19 726.20072 - knapsack NA NA +FL3FAADS0037 Isovitexin 4'-O-glucoside 2''-O-arabinoside;Vaccarin;6-(2-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one C32H38O19 726.20072 53452-16-7 knapsack NA NA +FL5FAAGA0016 Kaempferol 3-(2Gal-apiosylrobinobioside) C32H38O19 726.20072 132185-73-0 knapsack NA NA +FL5FAAGA0019 Kaempferol 3-lathyroside-7-rhamnoside C32H38O19 726.20072 151136-21-9 knapsack NA NA +FL5FAAGL0027 Camelliaside B C32H38O19 726.20072 131573-90-5 knapsack NA NA +FL5FAAGS0077 Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(O-beta-D-xylopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-galactopyranosyl)oxy]-4H-1-benzopyran-4-one C32H38O19 726.20072 416846-51-0 knapsack NA NA +FL5FAAGS0078 Kaempferol 3-xylosyl-(1->6)-glucosyl-(1->2)-rhamnoside;Helieianeoside A;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->2)-6-deoxy-alpha-L-mannopyranosyl)oxy]-4H-1-benzopyran-4-one C32H38O19 726.20072 496066-82-1 knapsack NA NA +FL5FAAGS0087 Kaempferol 3-robinobioside-7-alpha-L-arabinofuranoside C32H38O19 726.20072 - knapsack NA NA +FL5FAAGS0092 Kaempferol 3-apioside-7-rhamnosyl-(1->6)-galactoside;3-(D-Apio-beta-D-furanosyloxy)-7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C32H38O19 726.20072 474779-39-0 knapsack NA NA +FL5FACGS0044 Quercetin 3-xylosyl-(1->2)-rhamnoside-4'-rhamnoside C32H38O19 726.20072 93091-76-0 knapsack NA NA +FL5FCAGS0010 Kaempferol 7-methyl ether 3-apiosyl-(1->5)-apioside-4'-glucoside;3-[(5-O-D-apio-beta-D-furanosyl-D-apio-beta-D-furanosyl)oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C32H38O19 726.20072 165327-88-8 knapsack NA NA +MJ092166 3,4',5,7-Tetrahydroxyflavone; 3-O-[Rhamnosyl-(1??)-galactoside], 7-O-arabinoside C32H38O19 726.200729 NA MeJP NA NA +MJ092167 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?5)-?-D-apiofuranoside], 4'-O-?-D-glucopyranoside C32H38O19 726.200729 NA MeJP NA NA +MJ092168 Astragalin; 2''-O-?-D-Xylopyranosyl, 6''-O-?-L-rhamnopyranosyl C32H38O19 726.200729 NA MeJP NA NA +MJ092169 Frachinoside C32H38O19 726.200729 NA MeJP NA NA +MJ092170 Isomollupentin; 2'',7-Di-O-?-D-glucopyranoside C32H38O19 726.200729 NA MeJP NA NA +MJ092171 Isoschaftoside; 4'-O-?-D-Glucopyranoside C32H38O19 726.200729 NA MeJP NA NA +MJ092172 Isovitexin; 2''-O-?-D-Glucopyranosyl, 7-O-arabinoside C32H38O19 726.200729 NA MeJP NA NA +MJ092173 Isovitexin; 2''-O-?-D-Glucopyranosyl, 7-O-xyloside C32H38O19 726.200729 NA MeJP NA NA +MJ092174 Isovitexin; 2''-O-?-L-Arabinopyranosyl, 4'-O-?-D-glucopyranoside C32H38O19 726.200729 NA MeJP NA NA +MJ092175 Isovitexin; 2''-O-?-L-Arabinopyranosyl, 7-O-?-D-galactopyranoside C32H38O19 726.200729 NA MeJP NA NA +MJ092176 Isovitexin; 2''-O-?-L-Arabinopyranosyl, 7-O-?-D-glucopyranoside C32H38O19 726.200729 NA MeJP NA NA +MJ092177 Isovitexin; O''-[Arabinosyl-(1??)-?-D-glucopyranosyl] C32H38O19 726.200729 NA MeJP NA NA +MJ092178 Populnin; 3-O-[?-L-Rhamnopyranosyl-(1??)-xyloside] C32H38O19 726.200729 NA MeJP NA NA +MJ092179 Quercitrin; 2''-O-?-D-Xylopyranosyl, 4'-O-?-L-rhamnopyranoside C32H38O19 726.200729 NA MeJP NA NA +MJ092180 Schaftoside; 4'-O-?-D-Glucopyranoside C32H38O19 726.200729 NA MeJP NA NA +MJ092181 Schaftoside; 6''-O-?-D-Glucopyranosyl C32H38O19 726.200729 NA MeJP NA NA +MJ092182 Trifolin; 2''-O-?-D-Apiofuranosyl, 6''-O-?-L-rhamnopyranosyl C32H38O19 726.200729 NA MeJP NA NA +MJ092183 Trifolin; 2''-O-?-L-Rhamnopyranosyl, 7-O-?-L-arabinofuranoside C32H38O19 726.200729 NA MeJP NA NA +MJ092184 Trifolin; 6''-O-?-L-Rhamnopyranosyl, 7-O-?-L-arabinofuranoside C32H38O19 726.200729 NA MeJP NA NA +MJ092185 ?-Rhamnoisorobin; 3-O-[?-D-Xylopyranosyl-(1?2)-D-galactopyranoside] C32H38O19 726.200729 NA MeJP NA NA +MJ092186 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C32H39O19(+) 726.200729 NA MeJP NA NA +MJ092187 Topsentiasterol sulfate D C30H46O14S3 726.204968 NA MeJP NA NA +PJ022665 SCCNDW C28H38N8O11S2 726.2102 NA PeJP NA NA +MJ092188 Lipopurealins; Lipopurealin A C31H48Br2N6O4 726.210379 NA MeJP NA NA +PJ022666 SSSCNDD C24H38N8O16S 726.2127 NA PeJP NA NA +PJ022667 CNNDMM C25H42N8O11S3 726.2135 NA PeJP NA NA +PJ022668 GGGGCDMM C25H42N8O11S3 726.2136 NA PeJP NA NA +FL1C1AGS0010 Isoliquiritigenin 4-O-(5'''-O-feruloyl)-apiofuranosyl-(1'''->2'')-glucoside;4,2',4'-Trihydroxychalcone 4-O-(5'''-O-feruloyl)-apiofuranosyl-(1'''->2'')-glucoside C36H38O16 726.21598 202657-28-1 knapsack NA NA +FL2F1AGS0010 Licorice glycoside C1;(2R)-7,4'-Dihydroxyflavanone 4'-[4-feruloylapiosyl-(1->2)-glucoside] C36H38O16 726.21598 202657-31-6 knapsack NA NA +FL2F1AGS0011 Licorice glycoside C2;(2S)-7,4'-Dihydroxyflavanone 4'-[4-feruloylapiosyl-(1->2)-glucoside] C36H38O16 726.21598 202657-31-6 knapsack NA NA +MJ092189 2',4,4'-Trihydroxychalcone; 4-O-[4-Hydroxy-3-methoxycinnamoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C36H38O16 726.215985 NA MeJP NA NA +MJ092190 4',7-Dihydroxyflavanone, 4'-O-[4-Hydroxy-3-methoxycinnamoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C36H38O16 726.215985 NA MeJP NA NA +MJ092191 Aphinin-sm C36H38O16 726.215985 NA MeJP NA NA +MJ092192 Bambusicolaside IV C36H38O16 726.215985 NA MeJP NA NA +MJ092193 Protoaphin fb C36H38O16 726.215985 NA MeJP NA NA +PJ022669 PCDDDY C29H38N6O14S 726.2167 NA PeJP NA NA +PJ022670 SDDEMM C26H42N6O14S2 726.2201 NA PeJP NA NA +PJ022671 PCDMMM C27H46N6O9S4 726.2209 NA PeJP NA NA +MJ092194 Atractyligenin; 2-[2-(3-Methylbutanoyl)-3,4-di-O-sulfo-?-D-glucopyranoside] C30H46O16S2 726.222726 NA MeJP NA NA +PJ022672 CCCNER C24H42N10O10S3 726.2248 NA PeJP NA NA +PJ022673 CNNDDF C28H38N8O13S 726.2279 NA PeJP NA NA +PJ022674 GGGGCDDF C28H38N8O13S 726.228 NA PeJP NA NA +PJ022675 GCCQMW C29H42N8O8S3 726.2288 NA PeJP NA NA +PJ022676 GSSCNEM C25H42N8O13S2 726.2313 NA PeJP NA NA +PJ022677 APCCCCK C26H46N8O8S4 726.2322 NA PeJP NA NA +PJ022678 CCNNHH C26H38N12O9S2 726.2326 NA PeJP NA NA +PJ022679 GGGGCCHH C26H38N12O9S2 726.2327 NA PeJP NA NA +PJ022680 GDDEEY C29H38N6O16 726.2345 NA PeJP NA NA +PJ022681 PCDDMF C30H42N6O11S2 726.2353 NA PeJP NA NA +FL2FAAGS0028 Naringenin 7-O-(2'',6''-di-O-alpha-rhamnopyranosyl)-beta-glucopyranoside;5,7,4'-Trihydroxyflavanone 7-(2,6-dirhamnosylglucoside) C33H42O18 726.23711 98827-55-5 knapsack NA NA +MJ092195 4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C33H42O18 726.237114 NA MeJP NA NA +MJ092196 4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Benzyl glycoside, hepta-Ac C33H42O18 726.237114 NA MeJP NA NA +MJ092197 6-O-?-D-Glucopyranosyl-D-mannose; Pyranose-form, 2-Benzyl, hepta-Ac C33H42O18 726.237114 NA MeJP NA NA +MJ092198 Catalpol; 6-O-[(3-Hydroxy-4-methoxycinnamoyl)-(?3)-2-O-acetyl-?-L-rhamnopyranoside] C33H42O18 726.237114 NA MeJP NA NA +PJ022682 GEEMMM C27H46N6O11S3 726.2387 NA PeJP NA NA +PJ022683 SCDEHH C27H38N10O12S 726.2392 NA PeJP NA NA +PJ022684 GCCCRW C28H42N10O7S3 726.24 NA PeJP NA NA +PJ022685 GSSCCDR C24H42N10O12S2 726.2425 NA PeJP NA NA +PJ022686 SNNDDY C28H38N8O15 726.2457 NA PeJP NA NA +PJ022687 SSCNMW C29H42N8O10S2 726.2466 NA PeJP NA NA +PJ022688 SSSSNDM C25H42N8O15S 726.249 NA PeJP NA NA +PJ022689 GGSSSSDM C25H42N8O15S 726.2491 NA PeJP NA NA +PJ022690 DDEYW C33H38N6O13 726.2497 NA PeJP NA NA +PJ022691 SNNMMM C26H46N8O10S3 726.2499 NA PeJP NA NA +PJ022692 SPDDMY C30H42N6O13S 726.2531 NA PeJP NA NA +PJ022693 EMMMW C31H46N6O8S3 726.2539 NA PeJP NA NA +PJ022694 STEEMM C27H46N6O13S2 726.2565 NA PeJP NA NA +PJ022695 SPMMMM C28H50N6O8S4 726.2573 NA PeJP NA NA +PJ022696 GDMMHH C28H42N10O9S2 726.2578 NA PeJP NA NA +PJ022697 SCCQMR C25H46N10O9S3 726.2612 NA PeJP NA NA +PJ022698 ACCHFF C33H42N8O7S2 726.2618 NA PeJP NA NA +PJ022699 GSSSTCW C29H42N8O12S 726.2643 NA PeJP NA NA +PJ022700 GCCKMW C30H46N8O7S3 726.2652 NA PeJP NA NA +PJ022701 GSSSSSSE C25H42N8O17 726.2668 NA PeJP NA NA +PJ022702 GSSSQMM C26H46N8O12S2 726.2677 NA PeJP NA NA +PJ022703 NNNNDH C26H38N12O13 726.2682 NA PeJP NA NA +PJ022704 DEMFW C34H42N6O10S 726.2683 NA PeJP NA NA +PJ022705 GTEEEY C30H42N6O15 726.2708 NA PeJP NA NA +PJ022706 GPEMMY C31H46N6O10S2 726.2717 NA PeJP NA NA +PJ022707 GDDHHF C31H38N10O11 726.2722 NA PeJP NA NA +PJ022708 SCCCRR C24H46N12O8S3 726.2724 NA PeJP NA NA +MJ092199 2-Hydroxy-2-(1-methylpropyl)butanedioic acid, Bis(4-O-?-D-glucopyranosyloxybenzyl) ester C34H46O17 726.2735 NA MeJP NA NA +MJ092200 2-Hydroxy-2-(2-methylpropyl)butanedioic acid, Bis(4-?-D-glucopyranosyloxybenzyl) ester C34H46O17 726.2735 NA MeJP NA NA +MJ092201 Bruceolide; 15-O-(4-Hydroxy-3,4-dimethyl-2E-pentenoyl), 3-O-?-D-glucopyranoside C34H46O17 726.2735 NA MeJP NA NA +MJ092202 Bruceosin; 15-Deacyl, 15-(4-hydroxy-3,4-dimethyl-2E-pentenoyl), 2-O-?-D-glucopyranoside C34H46O17 726.2735 NA MeJP NA NA +MJ092203 Tangshenoside III C34H46O17 726.2735 NA MeJP NA NA +PJ022709 SVEMMM C28H50N6O10S3 726.2751 NA PeJP NA NA +PJ022710 SSEMHH C28H42N10O11S 726.2755 NA PeJP NA NA +PJ022711 GCNDRY C28H42N10O11S 726.2756 NA PeJP NA NA +PJ022712 GCHHHH C29H38N14O7S 726.2769 NA PeJP NA NA +PJ022713 GSSSCMR C25H46N10O11S2 726.2789 NA PeJP NA NA +PJ022714 NNMYW C33H42N8O9S 726.2796 NA PeJP NA NA +MJ092204 2,5-Bis(1,2,3,4-tetrahydroxybutyl)pyrazine, 2',2''-Bis-O-(2-acetamido-2-deoxy-?-D-glucopyranoside) C28H46N4O18 726.28071 NA MeJP NA NA +PJ022715 SSSSSSW C29H42N8O14 726.2821 NA PeJP NA NA +PJ022716 STCCKW C30H46N8O9S2 726.2829 NA PeJP NA NA +PJ022717 GGGQMMF C30H46N8O9S2 726.283 NA PeJP NA NA +PJ022718 SSSSTQM C26H46N8O14S 726.2854 NA PeJP NA NA +PJ022719 TEEYW C34H42N6O12 726.2861 NA PeJP NA NA +PJ022720 SCQKMM C27H50N8O9S3 726.2863 NA PeJP NA NA +PJ022721 PMMYW C35H46N6O7S2 726.287 NA PeJP NA NA +MJ092205 13,17-Epoxy-3,5,8,14,15-pentahydroxy-7-oxomyrsinolide, 5-Benzoyl, 14-propanoyl, 3,8,15-tri-Ac C38H46O14 726.288756 NA MeJP NA NA +MJ092206 Euphorbia substance SPr5 C38H46O14 726.288756 NA MeJP NA NA +PJ022722 GVEEMY C31H46N6O12S 726.2895 NA PeJP NA NA +PJ022723 APMMMF C32H50N6O7S3 726.2903 NA PeJP NA NA +PJ022724 GPCQHW C32H42N10O8S 726.2908 NA PeJP NA NA +PJ022725 GQQEEH C28H42N10O13 726.2933 NA PeJP NA NA +PJ022726 ALMMMM C29H54N6O7S4 726.2937 NA PeJP NA NA +PJ022727 GCNMFR C29H46N10O8S2 726.2942 NA PeJP NA NA +PJ022728 SSSSTCR C25H46N10O13S 726.2967 NA PeJP NA NA +PJ022729 GSSQYW C33H42N8O11 726.2973 NA PeJP NA NA +PJ022730 GGGGGEFF C33H42N8O11 726.2974 NA PeJP NA NA +PJ022731 SCCKMR C26H50N10O8S3 726.2976 NA PeJP NA NA +PJ022732 EEMRY C30H46N8O11S 726.3007 NA PeJP NA NA +PJ022733 PDFYW C38H42N6O9 726.3014 NA PeJP NA NA +PJ022734 PPCHHH C31H42N12O7S 726.3021 NA PeJP NA NA +PJ022735 GSSSSTTT C26H46N8O16 726.3032 NA PeJP NA NA +PJ022736 GSSSKMM C27H50N8O11S2 726.3041 NA PeJP NA NA +PJ022737 GNDEHR C27H42N12O12 726.3045 NA PeJP NA NA +PJ022738 GGGDEHR C27H42N12O12 726.3046 NA PeJP NA NA +PJ022739 VEMYW C35H46N6O9S 726.3047 NA PeJP NA NA +PJ022740 SSLEEY C31H46N6O14 726.3072 NA PeJP NA NA +PJ022741 SPVMMY C32H50N6O9S2 726.3081 NA PeJP NA NA +PJ022742 QQEHW C32H42N10O10 726.3086 NA PeJP NA NA +MJ092207 Centrolobol, 3-O-[?-D-Apiofuranosyl-(1?2)-[?-D-apiofuranosyl-(1?6)]-?-D-glucopyranoside] C35H50O16 726.309885 NA MeJP NA NA +3347 ACE inhibitor DYGLYP 726.3099 celiac toxic Inhouse_peptide NA peptide +MJ092208 Sohbumycin C31H47ClN8O10 726.310367 NA MeJP NA NA +MJ092209 Shimofuridin A; 9''-O-Deacyl, 9''-(2,4,7-decatrienoyl)(2E,4E,7Z-) C36H46N4O12 726.311222 NA MeJP NA NA +PJ022743 TTLMMM C29H54N6O9S3 726.3115 NA PeJP NA NA +PJ022744 GSNMRY C29H46N10O10S 726.3119 NA PeJP NA NA +PJ022745 GGGAPTMH C29H46N10O10S 726.312 NA PeJP NA NA +PJ022746 NNFFW C37H42N8O8 726.3126 NA PeJP NA NA +MJ092210 Milliamine C; N1'-Deacyl, N1'-tigloyl, 20-Ac C41H46N2O10 726.315245 NA MeJP NA NA +PJ022747 CQKYW C34H46N8O8S 726.3159 NA PeJP NA NA +PJ022748 GACKYW C34H46N8O8S 726.316 NA PeJP NA NA +PJ022749 STTQQY C30H46N8O13 726.3184 NA PeJP NA NA +PJ022750 SSNKEY C30H46N8O13 726.3185 NA PeJP NA NA +MJ092211 2,2',3,3'-Tetrahydro-3,3',6,6',7,7'-hexamethoxy-4,4'-diphenyl-5,5'-bi-1H-phenalene; 4',4''-Dimethoxy C46H46O8 726.319268 NA MeJP NA NA +MJ092212 2,2',3,3'-Tetrahydro-3,3',7,7',8,8'-hexamethoxy-4,4'-bis(4-methoxyphenyl)-6,6'-bi-1H-phenalene C46H46O8 726.319268 NA MeJP NA NA +PJ022751 GNKMMF C31H50N8O8S2 726.3193 NA PeJP NA NA +PJ022752 NDHRW C31H42N12O9 726.3198 NA PeJP NA NA +PJ022753 PMFFW C39H46N6O6S 726.32 NA PeJP NA NA +PJ022754 SSSSTKM C27H50N8O13S 726.3218 NA PeJP NA NA +PJ022755 GPVEYY C35H46N6O11 726.3225 NA PeJP NA NA +PJ022756 SCKKMM C28H54N8O8S3 726.3227 NA PeJP NA NA +PJ022757 SPCQHR C28H46N12O9S 726.3232 NA PeJP NA NA +PJ022758 LMMFW C36H50N6O6S2 726.3234 NA PeJP NA NA +PJ022759 AQHWW C36H42N10O7 726.3238 NA PeJP NA NA +PJ022760 ATLEMY C32H50N6O11S 726.3258 NA PeJP NA NA +PJ022761 TTLDMF C32H50N6O11S 726.3259 NA PeJP NA NA +PJ022762 GPCKHW C33H46N10O7S 726.3272 NA PeJP NA NA +PJ022763 SSSQRY C29H46N10O12 726.3297 NA PeJP NA NA +PJ022764 ACCKFR C30H50N10O7S2 726.3306 NA PeJP NA NA +PJ022765 GSSKYW C34H46N8O10 726.3337 NA PeJP NA NA +PJ022766 GTQKMY C31H50N8O10S 726.3371 NA PeJP NA NA +PJ022767 PVYYW C39H46N6O8 726.3377 NA PeJP NA NA +PJ022768 MHHFR C32H46N12O6S 726.3384 NA PeJP NA NA +PJ022769 GTQEHR C28H46N12O11 726.3409 NA PeJP NA NA +PJ022770 GGGGGGTKH C28H46N12O11 726.341 NA PeJP NA NA +PJ022771 GPLMFY C36H50N6O8S 726.3411 NA PeJP NA NA +PJ022772 TTTLEY C32H50N6O13 726.3436 NA PeJP NA NA +PJ022773 GLLMMY C33H54N6O8S2 726.3445 NA PeJP NA NA +PJ022774 QKEHW C33H46N10O9 726.3449 NA PeJP NA NA +PJ022775 GPPDRW C33H46N10O9 726.345 NA PeJP NA NA +MJ092213 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-6-O-acetyl-?-D-allopyranoside] C36H54O15 726.346271 NA MeJP NA NA +MJ092214 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] C36H54O15 726.346271 NA MeJP NA NA +MJ092215 Penstriatoside C36H54O15 726.346271 NA MeJP NA NA +PJ022776 GTCKRY C30H50N10O9S 726.3483 NA PeJP NA NA +PJ022777 AAPPWW C38H46N8O7 726.349 NA PeJP NA NA +C09323 Adiantifoline C42H50N2O9 726.3516 NA KEGG NA NA +MJ092216 Adiantifoline C42H50N2O9 726.351631 NA MeJP NA NA +MJ092217 Huangshanine C42H50N2O9 726.351631 NA MeJP NA NA +MJ092218 Przewalstine C42H50N2O9 726.351631 NA MeJP NA NA +PJ022778 GSDHRR C27H46N14O10 726.3522 NA PeJP NA NA +PJ022779 CKKYW C35H50N8O7S 726.3523 NA PeJP NA NA +PJ022780 PPPCKW C35H50N8O7S 726.3524 NA PeJP NA NA +PJ022781 SSDKKY C31H50N8O12 726.3548 NA PeJP NA NA +PJ022782 GAPPKEE C31H50N8O12 726.3549 NA PeJP NA NA +PJ022783 ACKKMF C32H54N8O7S2 726.3557 NA PeJP NA NA +PJ022784 TQHRW C32H46N12O8 726.3562 NA PeJP NA NA +PJ022785 APTLYY C36H50N6O10 726.3589 NA PeJP NA NA +PJ022786 GVQMHR C29H50N12O8S 726.3596 NA PeJP NA NA +PJ022787 AKHWW C37H46N10O6 726.3602 NA PeJP NA NA +MJ092219 Heudelottin C; 11-Formyl C40H54O12 726.361527 NA MeJP NA NA +MJ092220 Nimbolidin A; 1,7-Dideacyl, 1-tigloyl, 7-(2-methylpropanoyl) C40H54O12 726.361527 NA MeJP NA NA +PJ022788 STLLMY C33H54N6O10S 726.3622 NA PeJP NA NA +PJ022789 SSSKRY C30H50N10O11 726.3661 NA PeJP NA NA +PJ022790 APPKEW C35H50N8O9 726.3701 NA PeJP NA NA +PJ022791 QMHRR C28H50N14O7S 726.3708 NA PeJP NA NA +PJ022792 GTKKMY C32H54N8O9S 726.3735 NA PeJP NA NA +PJ022793 VLFYW C40H50N6O7 726.3741 NA PeJP NA NA +PJ022794 SPPDRR C29H50N12O10 726.3773 NA PeJP NA NA +PJ022795 GLLMFF C37H54N6O7S 726.3775 NA PeJP NA NA +PJ022796 APPTRW C34H50N10O8 726.3813 NA PeJP NA NA +PJ022797 CHRRR C27H50N16O6S 726.382 NA PeJP NA NA +MJ092221 3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,3-di-O-methyl-?-D-fucopyranoside] C37H58O14 726.382656 NA MeJP NA NA +MJ092222 14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 3-(N-Adipoyl-L-argininoyl), 16-Ac C38H54N4O10 726.383993 NA MeJP NA NA +PJ022798 PPVQMR C31H54N10O8S 726.3847 NA PeJP NA NA +PJ022799 ASTHRR C28H50N14O9 726.3885 NA PeJP NA NA +PJ022800 GTTHRR C28H50N14O9 726.3886 NA PeJP NA NA +PJ022801 STTKKY C32H54N8O11 726.3912 NA PeJP NA NA +PJ022802 AAAAPVVE C32H54N8O11 726.3913 NA PeJP NA NA +PJ022803 TKHRW C33H50N12O7 726.3926 NA PeJP NA NA +PJ022804 ATLLFY C37H54N6O9 726.3952 NA PeJP NA NA +PJ022805 GVLLYY C37H54N6O9 726.3953 NA PeJP NA NA +PJ022806 ACLKHR C30H54N12O7S 726.3959 NA PeJP NA NA +PJ022807 APPMRR C30H54N12O7S 726.396 NA PeJP NA NA +PJ022808 PPTKER C31H54N10O10 726.4025 NA PeJP NA NA +MJ092223 11-Hydroxyhexadecanoic acid, O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-fucopyranoside] C34H62O16 726.403785 NA MeJP NA NA +PJ022809 SPPLKW C36H54N8O8 726.4065 NA PeJP NA NA +PJ022810 KMHRR C29H54N14O6S 726.4072 NA PeJP NA NA +PJ022811 TLLLMH C33H58N8O8S 726.4099 NA PeJP NA NA +PJ022812 GPLERR C30H54N12O9 726.4137 NA PeJP NA NA +PJ022813 GPVLRW C35H54N10O7 726.4177 NA PeJP NA NA +MJ092224 Cholesta-5,22-diene-2,3,4,7-tetrol, 4-O-[?-D-Galactopyranosyl-(1?2)-?-D-xylopyranoside] C38H62O13 726.419042 NA MeJP NA NA +MJ092225 Cholesta-5,24-diene-2,3,4,7-tetrol, 4-O-[?-D-Galactopyranosyl-(1?2)-?-D-xylopyranoside] C38H62O13 726.419042 NA MeJP NA NA +MJ092226 Dimorphoside A C38H62O13 726.419042 NA MeJP NA NA +MJ092227 Spirostane-3,6,23-triol, 6-O-[?-D-Xylopyranosyl-(1?3)-6-deoxy-?-D-glucopyranoside] C38H62O13 726.419042 NA MeJP NA NA +PJ022814 PPVKMR C32H58N10O7S 726.4211 NA PeJP NA NA +PJ022815 GPNKRR C29H54N14O8 726.4249 NA PeJP NA NA +PJ022816 GGGPKRR C29H54N14O8 726.425 NA PeJP NA NA +PJ022817 PLLQKE C33H58N8O10 726.4276 NA PeJP NA NA +PJ022818 PLRRW C34H54N12O6 726.429 NA PeJP NA NA +3016 kinases inhibitor KKALRRQEAVAAL 726.437 MH2+ Inhouse_peptide NA peptide +PJ022819 PVVKER C32H58N10O9 726.4389 NA PeJP NA NA +PJ022820 APLLKW C37H58N8O7 726.4429 NA PeJP NA NA +MJ092228 3,3',4,4'-Tetradehydro-1',2'-dihydro-1'-hydroxy-?,?-caroten-2-one; O-?-D-Glucopyranoside C46H62O7 726.449554 NA MeJP NA NA +PJ022821 SPVLRR C31H58N12O8 726.4501 NA PeJP NA NA +MJ092229 2-[(2-Amino-4-thiazolyl)methyl]-N4-(cyclohexylmethyl)-N1-[1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N4-[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-2-oxoethyl]butanediamide C39H62N6O5S 726.450239 NA MeJP NA NA +MJ092230 6,14,24,32,34-Pentahydroxy-4,8,12,16,22,26,30-nonatriacontaneheptone C39H66O12 726.455427 NA MeJP NA NA +MJ092231 Cholest-5-ene-3,16,22-triol, 16-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-galactopyranoside] C39H66O12 726.455427 NA MeJP NA NA +PJ022822 PLLKKE C34H62N8O9 726.464 NA PeJP NA NA +MJ092232 Amphidinolide M C43H66O9 726.470683 NA MeJP NA NA +PJ022823 PTLLKR C33H62N10O8 726.4752 NA PeJP NA NA +PJ022824 GGVLLLR C33H62N10O8 726.4753 NA PeJP NA NA +PJ022825 GLLLRR C32H62N12O7 726.4865 NA PeJP NA NA +PJ022826 LLLLQK C35H66N8O8 726.5004 NA PeJP NA NA +PJ022827 VVLLKR C34H66N10O7 726.5116 NA PeJP NA NA +MJ092233 1,2-Di-O-acylglycerols; Glycerol 1,2-di-(8E-hexadecenoate), 3-O-?-D-Glucopyranoside C41H74O10 726.528198 NA MeJP NA NA +MJ092234 1,2-Di-O-acylglycerols; Glycerol 1-(9Z,12Z-octadecadienoate) 2-tetradecanoate, 3-O-?-D-Galactopyranoside (2S-) C41H74O10 726.528198 NA MeJP NA NA +PJ022828 LLLLKK C36H70N8O7 726.5368 NA PeJP NA NA +C17569 Ubiquinone-8 C49H74O4 726.5587 NA KEGG NA NA +MJ092235 Coenzyme Q; Coenzyme Q8 C49H74O4 726.55871 NA MeJP NA NA +MetaCyc04081 ubiquinone-8 [ubiquinone(9);coenzyme-Q8;Q-9;] C49H74O4 726.558711 1339-63-5 metacyc NA NA +HMDB07529 DG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/0:0) C47H82O5 726.616211 NA HMDB2010 NA NA +HMDB07558 DG(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)/0:0) C47H82O5 726.616211 NA HMDB2010 NA NA +HMDB07586 DG(20:5(5Z,8Z,11Z,14Z,17Z)/24:0/0:0) C47H82O5 726.616211 NA HMDB2010 NA NA +HMDB07612 DG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C47H82O5 726.616211 NA HMDB2010 NA NA +HMDB07613 DG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C47H82O5 726.616211 NA HMDB2010 NA NA +HMDB07640 DG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C47H82O5 726.616211 NA HMDB2010 NA NA +HMDB07696 DG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/0:0) C47H82O5 726.616211 NA HMDB2010 NA NA +HMDB07724 DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/0:0) C47H82O5 726.616211 NA HMDB2010 NA NA +HMDB07753 DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:0/0:0) C47H82O5 726.616211 NA HMDB2010 NA NA +HMDB07810 DG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) C47H82O5 726.616211 NA HMDB2010 NA NA +HMDB07837 DG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C47H82O5 726.616211 NA HMDB2010 NA NA +HMDB07838 DG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/0:0) C47H82O5 726.616211 NA HMDB2010 NA NA +MJ092236 25,26-Epoxy-9,43-henpentacontadiene C51H98O 726.761767 NA MeJP NA NA +3881 temporin A FLPLIGRVLSGILG 726.94395 MH2+ Inhouse_peptide NA peptide +PJ022829 GCCCCCH C23H37N9O8S5 727.1369 NA PeJP NA NA +PJ022830 PPCCCCC C25H41N7O8S5 727.162 NA PeJP NA NA +PJ022831 GCCCNND C23H37N9O12S3 727.1724 NA PeJP NA NA +PJ022832 GSCCDDE C24H37N7O15S2 727.1789 NA PeJP NA NA +PJ022833 GPCCCDM C25H41N7O10S4 727.1798 NA PeJP NA NA +FL7AACGL0032 Cyanidin 3-(6''-p-coumarylsambubioside) C35H35O17 727.18742 162972-64-7 knapsack NA NA +PJ022834 SCCDDW C28H37N7O12S2 727.1942 NA PeJP NA NA +PJ022835 SSSCDDD C24H37N7O17S 727.1967 NA PeJP NA NA +PJ022836 CNDDMM C25H41N7O12S3 727.1976 NA PeJP NA NA +MJ092237 Dactylocycline C C31H38ClN3O15 727.199145 NA MeJP NA NA +FL7AAAGL0011 Pelargonidin 3-sambubioside-5-glucoside C32H39O19 727.20855 - knapsack NA NA +FL7AACGL0015 Cyanidin 3-(2G-xylosylrutinoside) C32H39O19 727.20855 38226-79-8 knapsack NA NA +PJ022837 CCCDER C24H41N9O11S3 727.2088 NA PeJP NA NA +PJ022838 CNDDDF C28H37N7O14S 727.212 NA PeJP NA NA +PJ022839 GCCEMW C29H41N7O9S3 727.2128 NA PeJP NA NA +PJ022840 GSSCDEM C25H41N7O14S2 727.2153 NA PeJP NA NA +PJ022841 GSPCCMM C26H45N7O9S4 727.2162 NA PeJP NA NA +PJ022842 CCNDHH C26H37N11O10S2 727.2167 NA PeJP NA NA +C04660 3'-Deoxydihydrostreptomycin 6,3''-bis-phosphate C21H43N7O17P2 727.2191 NA KEGG NA NA +C04709 3'-Deoxydihydrostreptomycin 3'alpha,6-bisphosphate C21H43N7O17P2 727.2191 NA KEGG NA NA +PJ022843 SSSCCNQ C24H41N9O13S2 727.2265 NA PeJP NA NA +PJ022844 GGSSSCCQ C24H41N9O13S2 727.2266 NA PeJP NA NA +PJ022845 CCMWW C33H41N7O6S3 727.2281 NA PeJP NA NA +PJ022846 SNDDDY C28H37N7O16 727.2297 NA PeJP NA NA +PJ022847 SSCDMW C29H41N7O11S2 727.2306 NA PeJP NA NA +PJ022848 SSSSDDM C25H41N7O16S 727.2331 NA PeJP NA NA +PJ022849 SNDMMM C26H45N7O11S3 727.2339 NA PeJP NA NA +PJ022850 GGTCEMM C26H45N7O11S3 727.234 NA PeJP NA NA +PJ022851 CCNNQF C28H41N9O10S2 727.2418 NA PeJP NA NA +PJ022852 GSSSSSCN C24H41N9O15S 727.2443 NA PeJP NA NA +PJ022853 SCCEMR C25H45N9O10S3 727.2452 NA PeJP NA NA +PJ022854 GPCCYW C33H41N7O8S2 727.2458 NA PeJP NA NA +PJ022855 GNDEMY C29H41N7O13S 727.2483 NA PeJP NA NA +PJ022856 GTCMMW C30H45N7O8S3 727.2492 NA PeJP NA NA +PJ022857 GSSSEMM C26H45N7O13S2 727.2517 NA PeJP NA NA +PJ022858 NNNDDH C26H37N11O14 727.2522 NA PeJP NA NA +PJ022859 GQMMMM C27H49N7O8S4 727.2526 NA PeJP NA NA +PJ022860 SCNMHH C27H41N11O9S2 727.253 NA PeJP NA NA +PJ022861 GGSCMHH C27H41N11O9S2 727.2531 NA PeJP NA NA +PJ022862 GCDDRY C28H41N9O12S 727.2596 NA PeJP NA NA +PJ022863 PCCCFR C29H45N9O7S3 727.2604 NA PeJP NA NA +PJ022864 SSSCCNK C25H45N9O12S2 727.2629 NA PeJP NA NA +PJ022865 NDMYW C33H41N7O10S 727.2636 NA PeJP NA NA +PJ022866 GCMMMR C26H49N9O7S4 727.2638 NA PeJP NA NA +PJ022867 SSNEEY C29H41N7O15 727.2661 NA PeJP NA NA +PJ022868 SSSMMW C30H45N7O10S2 727.2669 NA PeJP NA NA +PJ022869 PTCNMY C30H45N7O10S2 727.267 NA PeJP NA NA +PJ022870 STTTTCD C26H45N7O15S 727.2694 NA PeJP NA NA +PJ022871 SSSSTEM C26H45N7O15S 727.2695 NA PeJP NA NA +PJ022872 STQMMM C27H49N7O10S3 727.2703 NA PeJP NA NA +PJ022873 GSSTCHH C27H41N11O11S 727.2708 NA PeJP NA NA +PJ022874 GPCEHW C32H41N9O9S 727.2748 NA PeJP NA NA +PJ022875 GSSSNNY C28H41N9O14 727.2773 NA PeJP NA NA +PJ022876 GGGGGPPDD C28H41N9O14 727.2774 NA PeJP NA NA +PJ022877 SPCCRY C29H45N9O9S2 727.2782 NA PeJP NA NA +PJ022878 ACYWW C37H41N7O7S 727.2788 NA PeJP NA NA +PJ022879 GSSEYW C33H41N7O12 727.2813 NA PeJP NA NA +PJ022880 GGGPDYY C33H41N7O12 727.2814 NA PeJP NA NA +PJ022881 STCMMR C26H49N9O9S3 727.2816 NA PeJP NA NA +PJ022882 NMMFW C34H45N7O7S2 727.2822 NA PeJP NA NA +MJ092238 Rifamycin S; 3,31-Dihydroxy C37H45NO14 727.284005 NA MeJP NA NA +MJ092239 Sulfurmycin C C37H45NO14 727.284005 NA MeJP NA NA +PJ022883 GTQEMY C30H45N7O12S 727.2847 NA PeJP NA NA +PJ022884 GYYYY C38H41N5O10 727.2854 NA PeJP NA NA +PJ022885 PCCKMF C31H49N7O7S3 727.2856 NA PeJP NA NA +PJ022886 GCQHHF C31H41N11O8S 727.2861 NA PeJP NA NA +PJ022887 GSTTTMM C27H49N7O12S2 727.2881 NA PeJP NA NA +PJ022888 GDDEHR C27H41N11O13 727.2886 NA PeJP NA NA +PJ022889 GKMMMM C28H53N7O7S4 727.289 NA PeJP NA NA +PJ022890 TCCKHH C28H45N11O8S2 727.2894 NA PeJP NA NA +PJ022891 PCHWW C36H41N9O6S 727.2901 NA PeJP NA NA +PJ022892 QEEHW C32H41N9O11 727.2926 NA PeJP NA NA +PJ022893 ASCERY C29H45N9O11S 727.2959 NA PeJP NA NA +PJ022894 GSDMRY C29H45N9O11S 727.296 NA PeJP NA NA +PJ022895 SSYWW C37H41N7O9 727.2966 NA PeJP NA NA +PJ022896 TQMYW C34H45N7O9S 727.3 NA PeJP NA NA +PJ022897 SSDKEY C30H45N7O14 727.3025 NA PeJP NA NA +PJ022898 GVQMMY C31H49N7O9S2 727.3033 NA PeJP NA NA +PJ022899 GGGLMMY C31H49N7O9S2 727.3034 NA PeJP NA NA +PJ022900 DDHRW C31H41N11O10 727.3038 NA PeJP NA NA +PJ022901 SSTTTTM C27H49N7O14S 727.3058 NA PeJP NA NA +PJ022902 STKMMM C28H53N7O9S3 727.3067 NA PeJP NA NA +PJ022903 SPCEHR C28H45N11O10S 727.3072 NA PeJP NA NA +PJ022904 AEHWW C36H41N9O8 727.3078 NA PeJP NA NA +PJ022905 TCRYW C33H45N9O8S 727.3112 NA PeJP NA NA +PJ022906 SSSERY C29H45N9O13 727.3137 NA PeJP NA NA +PJ022907 QMMRY C30H49N9O8S2 727.3146 NA PeJP NA NA +PJ022908 SPNHHH C30H41N13O9 727.3151 NA PeJP NA NA +PJ022909 MHFFF C38H45N7O6S 727.3152 NA PeJP NA NA +PJ022910 GTTTYW C34H45N7O11 727.3177 NA PeJP NA NA +PJ022911 GNNMHR C27H45N13O9S 727.3184 NA PeJP NA NA +PJ022912 GTKEMY C31H49N7O11S 727.3211 NA PeJP NA NA +PJ022913 GCKHHF C32H45N11O7S 727.3225 NA PeJP NA NA +PJ022914 ASEEHR C28H45N11O12 727.3249 NA PeJP NA NA +PJ022915 GTEEHR C28H45N11O12 727.325 NA PeJP NA NA +PJ022916 CMRRY C29H49N11O7S2 727.3258 NA PeJP NA NA +PJ022917 KEEHW C33H45N9O10 727.329 NA PeJP NA NA +PJ022918 GTTMRY C30H49N9O10S 727.3323 NA PeJP NA NA +PJ022919 GGVVEMH C30H49N9O10S 727.3324 NA PeJP NA NA +PJ022920 VNFYW C38H45N7O8 727.333 NA PeJP NA NA +PJ022921 SSNQHR C27H45N13O11 727.3362 NA PeJP NA NA +PJ022922 TKMYW C35H49N7O8S 727.3363 NA PeJP NA NA +PJ022923 PPPTMW C35H49N7O8S 727.3364 NA PeJP NA NA +PJ022924 STTKEY C31H49N7O13 727.3388 NA PeJP NA NA +PJ022925 TTTDKY C31H49N7O13 727.3389 NA PeJP NA NA +PJ022926 GVKMMY C32H53N7O8S2 727.3397 NA PeJP NA NA +PJ022927 TEHRW C32H45N11O9 727.3402 NA PeJP NA NA +PJ022928 GVEMHR C29H49N11O9S 727.3436 NA PeJP NA NA +PJ022929 SLHWW C37H45N9O7 727.3442 NA PeJP NA NA +MJ092240 Antibiotic LL-BM 547? C26H45N15O10 727.347382 NA MeJP NA NA +PJ022930 AALMHW C34H49N9O7S 727.3476 NA PeJP NA NA +PJ022931 STTTRY C30H49N9O12 727.3501 NA PeJP NA NA +PJ022932 KMMRY C31H53N9O7S2 727.351 NA PeJP NA NA +PJ022933 GLQHHH C31H45N13O8 727.3514 NA PeJP NA NA +PJ022934 GGALHHH C31H45N13O8 727.3515 NA PeJP NA NA +3357 ACE inhibitor GYALPHA 727.352 celiac toxic Inhouse_peptide NA peptide +PJ022935 SPPLEW C35H49N7O10 727.3541 NA PeJP NA NA +PJ022936 EMHRR C28H49N13O8S 727.3548 NA PeJP NA NA +3606 NA YPFGFV~ 727.356 ACE inhibitor Inhouse_peptide NA peptide +PJ022937 SSLKMY C32H53N7O10S 727.3575 NA PeJP NA NA +PJ022938 VMHRW C33H49N11O6S 727.3588 NA PeJP NA NA +PJ022939 SSLEHR C29H49N11O11 727.3613 NA PeJP NA NA +PJ022940 GGGGPVER C29H49N11O11 727.3614 NA PeJP NA NA +PJ022941 AAHHHR C30H45N15O7 727.3627 NA PeJP NA NA +PJ022942 ATTLHW C34H49N9O9 727.3653 NA PeJP NA NA +PJ022943 GGSPPKW C34H49N9O9 727.3654 NA PeJP NA NA +PJ022944 PPVEMR C31H53N9O9S 727.3687 NA PeJP NA NA +PJ022945 TKFFW C39H49N7O7 727.3694 NA PeJP NA NA +PJ022946 GPNERR C28H49N13O10 727.3726 NA PeJP NA NA +PJ022947 PPVVMW C36H53N7O7S 727.3728 NA PeJP NA NA +PJ022948 APPTTLE C32H53N7O12 727.3752 NA PeJP NA NA +PJ022949 PLLQEE C32H53N7O12 727.3753 NA PeJP NA NA +PJ022950 AAPQRW C33H49N11O8 727.3766 NA PeJP NA NA +MJ092241 Antibiotic RP 9971 C36H57NO14 727.377905 NA MeJP NA NA +PJ022951 ATLMHR C30H53N11O8S 727.38 NA PeJP NA NA +PJ022952 KMFFR C35H53N9O6S 727.384 NA PeJP NA NA +MJ092242 Antrimycin; Antrimycin D C31H53N9O11 727.386453 NA MeJP NA NA +PJ022953 PVVEER C31H53N9O11 727.3865 NA PeJP NA NA +PJ022954 PNRRW C32H49N13O7 727.3878 NA PeJP NA NA +MJ092243 Citrusin III C36H53N7O9 727.390476 NA MeJP NA NA +PJ022955 APLLEW C36H53N7O9 727.3905 NA PeJP NA NA +PJ022956 GCKKHR C29H53N13O7S 727.3912 NA PeJP NA NA +PJ022957 GPPTLLM C33H57N7O9S 727.3939 NA PeJP NA NA +PJ022958 TTTLHR C30H53N11O10 727.3977 NA PeJP NA NA +PJ022959 GPLQKW C35H53N9O8 727.4017 NA PeJP NA NA +PJ022960 GGAPLKW C35H53N9O8 727.4018 NA PeJP NA NA +PJ022961 SLLKMH C32H57N9O8S 727.4051 NA PeJP NA NA +3004 kinases inhibitor KKAARRQEAVDAL 727.40845 MH2+ Inhouse_peptide NA peptide +3014 kinases inhibitor KKALRRQEAGDAL 727.40845 MH2+ Inhouse_peptide NA peptide +3025 kinases inhibitor KKALRRQEAVDAA 727.40845 MH2+ Inhouse_peptide NA peptide +PJ022962 GPDKRR C29H53N13O9 727.409 NA PeJP NA NA +PJ022963 PLLKEE C33H57N7O11 727.4116 NA PeJP NA NA +PJ022964 AAPKRW C34H53N11O7 727.413 NA PeJP NA NA +MJ092244 Mycinamycin II C37H61NO13 727.414291 NA MeJP NA NA +C15680 Mycinamicin II C37H61NO13 727.4143 NA KEGG NA NA +PJ022965 PPCKKR C31H57N11O7S 727.4164 NA PeJP NA NA +PJ022966 GSPRRR C28H53N15O8 727.4202 NA PeJP NA NA +PJ022967 PTLLER C32H57N9O10 727.4229 NA PeJP NA NA +PJ022968 LHFRR C33H53N13O6 727.4242 NA PeJP NA NA +MJ092245 Heterophyllin A C37H57N7O8 727.426861 NA MeJP NA NA +PJ022969 SPLLLW C37H57N7O8 727.4269 NA PeJP NA NA +PJ022970 AAPLLLM C34H61N7O8S 727.4303 NA PeJP NA NA +PJ022971 APKKER C31H57N11O9 727.4341 NA PeJP NA NA +PJ022972 GPLKKW C36H57N9O7 727.4381 NA PeJP NA NA +PJ022973 PVLLMR C33H61N9O7S 727.4415 NA PeJP NA NA +HMDB12348 PS(14:1(9Z)/18:3(9Z,12Z,15Z)) C38H66NO10P 727.442444 NA HMDB2010 NA NA +HMDB12408 PS(18:3(9Z,12Z,15Z)/14:1(9Z)) C38H66NO10P 727.442444 NA HMDB2010 NA NA +PJ022974 APTKRR C30H57N13O8 727.4453 NA PeJP NA NA +PJ022975 GGGLLRR C30H57N13O8 727.4454 NA PeJP NA NA +PJ022976 LLLLQE C34H61N7O10 727.448 NA PeJP NA NA +MJ092246 Antibiotic YT 3927; 20-Alcohol C38H65NO12 727.450676 NA MeJP NA NA +MJ092247 Tylosin; 23-O-Deglycosyl, 20-deoxo C38H65NO12 727.450676 NA MeJP NA NA +PJ022977 LQRRR C29H57N15O7 727.4566 NA PeJP NA NA +PJ022978 VVLLER C33H61N9O9 727.4593 NA PeJP NA NA +PJ022979 ALLLLW C38H61N7O7 727.4633 NA PeJP NA NA +PJ022980 SPLKKR C32H61N11O8 727.4705 NA PeJP NA NA +PJ022981 GVLKRR C31H61N13O7 727.4817 NA PeJP NA NA +PJ022982 LLLLKE C35H65N7O9 727.4844 NA PeJP NA NA +PJ022983 LKRRR C30H61N15O6 727.493 NA PeJP NA NA +PJ022984 TLLLLR C34H65N9O8 727.4956 NA PeJP NA NA +PJ022985 GGLLLKK C34H65N9O8 727.4957 NA PeJP NA NA +PJ022986 ALLKKR C33H65N11O7 727.5069 NA PeJP NA NA +MJ092248 Pepstatins; Pepstatin G C37H69N5O9 727.509528 NA MeJP NA NA +MJ092249 Pepstatins; Pepstatin H C37H69N5O9 727.509528 NA MeJP NA NA +HMDB07875 PC(14:0/18:3(6Z,9Z,12Z)) C40H74NO8P 727.515198 NA HMDB2010 NA NA +HMDB07876 PC(14:0/18:3(9Z,12Z,15Z)) C40H74NO8P 727.515198 NA HMDB2010 NA NA +HMDB07907 PC(14:1(9Z)/18:2(9Z,12Z)) C40H74NO8P 727.515198 NA HMDB2010 NA NA +HMDB08131 PC(18:2(9Z,12Z)/14:1(9Z)) C40H74NO8P 727.515198 NA HMDB2010 NA NA +HMDB08163 PC(18:3(6Z,9Z,12Z)/14:0) C40H74NO8P 727.515198 NA HMDB2010 NA NA +HMDB08196 PC(18:3(9Z,12Z,15Z)/14:0) C40H74NO8P 727.515198 NA HMDB2010 NA NA +HMDB08902 PE(15:0/20:3(5Z,8Z,11Z)) C40H74NO8P 727.515198 NA HMDB2010 NA NA +HMDB08903 PE(15:0/20:3(8Z,11Z,14Z)) C40H74NO8P 727.515198 NA HMDB2010 NA NA +HMDB09318 PE(20:3(5Z,8Z,11Z)/15:0) C40H74NO8P 727.515198 NA HMDB2010 NA NA +HMDB09351 PE(20:3(8Z,11Z,14Z)/15:0) C40H74NO8P 727.515198 NA HMDB2010 NA NA +PJ022987 VLLKKK C35H69N9O7 727.532 NA PeJP NA NA +HMDB09050 PE(18:1(11Z)/P-18:1(11Z)) C41H78NO7P 727.551575 NA HMDB2010 NA NA +HMDB09051 PE(18:1(11Z)/P-18:1(9Z)) C41H78NO7P 727.551575 NA HMDB2010 NA NA +HMDB09083 PE(18:1(9Z)/P-18:1(11Z)) C41H78NO7P 727.551575 NA HMDB2010 NA NA +HMDB09084 PE(18:1(9Z)/P-18:1(9Z)) C41H78NO7P 727.551575 NA HMDB2010 NA NA +HMDB09115 PE(18:2(9Z,12Z)/P-18:0) C41H78NO7P 727.551575 NA HMDB2010 NA NA +HMDB09312 PE(20:2(11Z,14Z)/P-16:0) C41H78NO7P 727.551575 NA HMDB2010 NA NA +HMDB11349 PE(P-16:0/20:2(11Z,14Z)) C41H78NO7P 727.551575 NA HMDB2010 NA NA +HMDB11376 PE(P-18:0/18:2(9Z,12Z)) C41H78NO7P 727.551575 NA HMDB2010 NA NA +HMDB11407 PE(P-18:1(11Z)/18:1(11Z)) C41H78NO7P 727.551575 NA HMDB2010 NA NA +HMDB11408 PE(P-18:1(11Z)/18:1(9Z)) C41H78NO7P 727.551575 NA HMDB2010 NA NA +HMDB11440 PE(P-18:1(9Z)/18:1(11Z)) C41H78NO7P 727.551575 NA HMDB2010 NA NA +HMDB11441 PE(P-18:1(9Z)/18:1(9Z)) C41H78NO7P 727.551575 NA HMDB2010 NA NA +MJ092250 Candicin C41H77NO9 727.559833 NA MeJP NA NA +EUR1040 SM(d18:0/16:0) [M+Na]+ C39H82N2O6P 727.572997 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1040 SM(d18:0/16:0) [M+Na]+ C39H82N2O6P 727.572997 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1040 SM(d18:0/16:0) [M+Na]+ C39H82N2O6P 727.572997 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1040 SM(d18:0/16:0) [M+Na]+ C39H82N2O6P 727.572997 masses lipides attendues Inhousejuil11 NA NA +HMDB10705 CerP(d18:1/24:1(15Z)) C42H82NO6P 727.587952 NA HMDB2010 NA NA +HMDB04972 Glucosylceramide (d18:1/18:0) C42H81NO8 727.59619 http://www.hmdb.ca/metabolites/HMDB04972 HMDB NA NA +HMDB04972 Glucosylceramide (d18:1/18:0) C42H81NO8 727.59619 HMDB04972 PFEM_hmdb_metabocards_official NA NA +HMDB04972 Glucosylceramide (d18:1/18:0) C42H81NO8 727.596191 NA HMDB2010 NA NA +HMDB10709 Galactosylceramide (d18:1/18:0) C42H81NO8 727.596191 NA HMDB2010 NA NA +MJ092251 2-Amino-4-octadecene-1,3-diol, N-Octadecanoyl, 1-O-?-D-galactopyranoside C42H81NO8 727.596218 NA MeJP NA NA +7433 coeliac toxic peptide QLQPFPEPQLPY 727.8615 MH2+ Inhouse_peptide NA peptide +7434 coeliac toxic peptide QLQPFPQPELPY 727.8615 MH2+ Inhouse_peptide NA peptide +MJ092252 Chaetocin B C30H28N6O6S5 728.067386 NA MeJP NA NA +MJ092253 Melinacidin IV C30H28N6O8S4 728.085144 NA MeJP NA NA +MJ092254 ?-Naphthocyclinone chlorohydrin C35H33ClO15 728.150798 NA MeJP NA NA +PJ022988 GCCCNDD C23H36N8O13S3 728.1564 NA PeJP NA NA +MJ092255 Rhodonocardin A; De-O12b-rhodinosyl C31H36O18S 728.162235 NA MeJP NA NA +MJ092256 Floribundone 2; 10-Oxo, 8-O-?-D-glucopyranoside C38H32O15 728.17412 NA MeJP NA NA +PJ022989 SPCCCCN C24H40N8O10S4 728.175 NA PeJP NA NA +PJ022990 GGSPCCCC C24H40N8O10S4 728.1751 NA PeJP NA NA +FL5FACGS0040 Primflaside C31H36O20 728.17999 38424-92-9 knapsack NA NA +MJ092257 2',4',5,5',7-Pentahydroxyflavone; 7-O-(Arabinosylxylosylglucoside) C31H36O20 728.179993 NA MeJP NA NA +MJ092258 3,3',4',5,7-Pentahydroxyflavone; 7-O-[D-Xylosyl-(1??)-?-D-glucopyranoside], 3-O-D-xyloside C31H36O20 728.179993 NA MeJP NA NA +MJ092259 Isoquercitrin; 4''-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinofuranosyl] C31H36O20 728.179993 NA MeJP NA NA +MJ092260 Quercimeritrin; 3-O-[Xylosyl-(1??)-xyloside] C31H36O20 728.179993 NA MeJP NA NA +PJ022991 CDDDMM C25H40N6O13S3 728.1816 NA PeJP NA NA +PJ022992 GSCCNDM C24H40N8O12S3 728.1928 NA PeJP NA NA +PJ022993 CDDDDF C28H36N6O15S 728.196 NA PeJP NA NA +PJ022994 CCDDHH C26H36N10O11S2 728.2007 NA PeJP NA NA +PJ022995 SCCCQW C28H40N8O9S3 728.2081 NA PeJP NA NA +PJ022996 SSSCCNE C24H40N8O14S2 728.2106 NA PeJP NA NA +PJ022997 CCNQMM C25H44N8O9S4 728.2114 NA PeJP NA NA +PJ022998 GGGACCMM C25H44N8O9S4 728.2115 NA PeJP NA NA +PJ022999 SDDDDY C28H36N6O17 728.2137 NA PeJP NA NA +PJ023000 PCCDEY C29H40N6O12S2 728.2146 NA PeJP NA NA +FL2FADGS0004 Viscumneoside V C32H40O19 728.21637 119016-92-1 knapsack NA NA +MJ092261 3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether, 7-O-[?-D-apiofuranosyl-(1?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C32H40O19 728.216379 NA MeJP NA NA +C17465 Parishin B C32H40O19 728.2164 NA KEGG NA NA +C17466 Parishin C C32H40O19 728.2164 NA KEGG NA NA +PJ023001 SDDMMM C26H44N6O12S3 728.218 NA PeJP NA NA +PJ023002 CCCNMR C24H44N10O8S4 728.2227 NA PeJP NA NA +PJ023003 GSSSCCW C28H40N8O11S2 728.2258 NA PeJP NA NA +PJ023004 GSSSSSCD C24H40N8O16S 728.2283 NA PeJP NA NA +PJ023005 GSSCNMM C25H44N8O11S3 728.2292 NA PeJP NA NA +PJ023006 ACDEEY C29H40N6O14S 728.2323 NA PeJP NA NA +PJ023007 GDDEMY C29H40N6O14S 728.2324 NA PeJP NA NA +PJ023008 PCCEMF C30H44N6O9S3 728.2332 NA PeJP NA NA +PJ023009 NNDDDH C26H36N10O15 728.2362 NA PeJP NA NA +PJ023010 GEMMMM C27H48N6O9S4 728.2366 NA PeJP NA NA +PJ023011 SCDMHH C27H40N10O10S2 728.2371 NA PeJP NA NA +PJ023012 GSTCCCR C24H44N10O10S3 728.2404 NA PeJP NA NA +PJ023013 GCCNFW C32H40N8O8S2 728.2411 NA PeJP NA NA +PJ023014 SCNNEY C28H40N8O13S 728.2436 NA PeJP NA NA +PJ023015 SCCCKW C29H44N8O8S3 728.2445 NA PeJP NA NA +MJ092262 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-Ketone, 1,2,9-tribenzoyl, 6,14-di-Ac C40H40O13 728.246891 NA MeJP NA NA +PJ023016 SSSSCQM C25H44N8O13S2 728.2469 NA PeJP NA NA +PJ023017 GGSSSTCM C25H44N8O13S2 728.247 NA PeJP NA NA +PJ023018 DDMYW C33H40N6O11S 728.2476 NA PeJP NA NA +PJ023019 CCNKMM C26H48N8O8S4 728.2478 NA PeJP NA NA +PJ023020 SSDEEY C29H40N6O16 728.2501 NA PeJP NA NA +PJ023021 SPCEMY C30H44N6O11S2 728.251 NA PeJP NA NA +MJ092263 Carzelesin C41H37ClN6O5 728.251396 NA MeJP NA NA +PJ023022 MMMMW C31H48N6O6S4 728.2518 NA PeJP NA NA +MJ092264 2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?3)-[4-hydroxy-3-methoxybenzoyl-(?4)]-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C33H44O18 728.252764 NA MeJP NA NA +MJ092265 Caeruleoside B C33H44O18 728.252764 NA MeJP NA NA +MJ092266 Loganic acid; 7-O-[?-D-Glucopyranosyl-(1?4)-4-hydroxy-3-methoxycinnamoyl], Me ester C33H44O18 728.252764 NA MeJP NA NA +PJ023023 STEMMM C27H48N6O11S3 728.2543 NA PeJP NA NA +PJ023024 GSPCNDH C27H40N10O12S 728.2548 NA PeJP NA NA +PJ023025 ACMMHH C28H44N10O7S3 728.2557 NA PeJP NA NA +MJ092267 Topsentiasterol sulfate E C31H52O13S3 728.257003 NA MeJP NA NA +PJ023026 SSSSCCR C24H44N10O12S2 728.2582 NA PeJP NA NA +PJ023027 GSCNYW C32H40N8O10S 728.2588 NA PeJP NA NA +PJ023028 GSSSNDY C28H40N8O15 728.2613 NA PeJP NA NA +PJ023029 GEEEEH C28H40N8O15 728.2614 NA PeJP NA NA +PJ023030 GNNMMY C29H44N8O10S2 728.2622 NA PeJP NA NA +PJ023031 GSSSSSSM C25H44N8O15S 728.2647 NA PeJP NA NA +PJ023032 GPDDYY C33H40N6O13 728.2654 NA PeJP NA NA +PJ023033 GSTCCKM C26H48N8O10S3 728.2656 NA PeJP NA NA +PJ023034 CNNNQH C26H40N12O11S 728.266 NA PeJP NA NA +PJ023035 GGCNNQH C26H40N12O11S 728.2661 NA PeJP NA NA +PJ023036 DMMFW C34H44N6O8S2 728.2662 NA PeJP NA NA +MJ092268 12,17-Epoxy-2,5,7,9,10,11,19-heptahydroxy-4(20)-taxen-13-one, 19-Benzoyl, 2,5,7,9,10-penta-Ac C37H44O15 728.26802 NA MeJP NA NA +PJ023037 GTEEMY C30H44N6O13S 728.2687 NA PeJP NA NA +PJ023038 GPMMMY C31H48N6O8S3 728.2696 NA PeJP NA NA +PJ023039 GCEHHF C31H40N10O9S 728.2701 NA PeJP NA NA +PJ023040 SNNEEH C27H40N10O14 728.2726 NA PeJP NA NA +PJ023041 SVMMMM C28H52N6O8S4 728.273 NA PeJP NA NA +PJ023042 GCCQRY C28H44N10O9S2 728.2734 NA PeJP NA NA +PJ023043 GGACCRY C28H44N10O9S2 728.2735 NA PeJP NA NA +PJ023044 EEEHW C32H40N8O12 728.2766 NA PeJP NA NA +PJ023045 SSNQMY C29H44N8O12S 728.28 NA PeJP NA NA +PJ023046 DDFFW C37H40N6O10 728.2806 NA PeJP NA NA +PJ023047 SSSSSSST C25H44N8O17 728.2824 NA PeJP NA NA +PJ023048 SSSSCKM C26H48N8O12S2 728.2833 NA PeJP NA NA +PJ023049 GSSNNNH C26H40N12O13 728.2838 NA PeJP NA NA +PJ023050 TEMYW C34H44N6O10S 728.284 NA PeJP NA NA +PJ023051 PCCNHR C27H44N12O8S2 728.2847 NA PeJP NA NA +PJ023052 CHHFW C35H40N10O6S 728.2853 NA PeJP NA NA +PJ023053 STTEEY C30H44N6O15 728.2865 NA PeJP NA NA +PJ023054 SPTMMY C31H48N6O10S2 728.2873 NA PeJP NA NA +PJ023055 GVEMMY C31H48N6O10S2 728.2874 NA PeJP NA NA +PJ023056 GSNEHW C31H40N10O11 728.2878 NA PeJP NA NA +PJ023057 SSCNRY C28H44N10O11S 728.2912 NA PeJP NA NA +MJ092269 Cherinonaine C40H44N2O11 728.29451 NA MeJP NA NA +PJ023058 GNNMFF C33H44N8O9S 728.2952 NA PeJP NA NA +PJ023059 GSSSTQY C29H44N8O14 728.2977 NA PeJP NA NA +MJ092270 Licoagrodin C45H44O9 728.298533 NA MeJP NA NA +PJ023060 EMMRY C30H48N8O9S2 728.2986 NA PeJP NA NA +PJ023061 SPDHHH C30H40N12O10 728.2991 NA PeJP NA NA +PJ023062 GPTEYY C34H44N6O12 728.3017 NA PeJP NA NA +PJ023063 AAEEFY C34H44N6O12 728.3018 NA PeJP NA NA +PJ023064 GNDMHR C27H44N12O10S 728.3024 NA PeJP NA NA +PJ023065 GGGDMHR C27H44N12O10S 728.3025 NA PeJP NA NA +PJ023066 VMMYW C35H48N6O7S2 728.3026 NA PeJP NA NA +PJ023067 SNHWW C35H40N10O8 728.3031 NA PeJP NA NA +MJ092271 Augustineolide C38H48O14 728.304406 NA MeJP NA NA +PJ023068 SSLEMY C31H48N6O12S 728.3051 NA PeJP NA NA +PJ023069 GLMMMF C32H52N6O7S3 728.306 NA PeJP NA NA +PJ023070 QQMHW C32H44N10O8S 728.3064 NA PeJP NA NA +PJ023071 GAQMHW C32H44N10O8S 728.3065 NA PeJP NA NA +PJ023072 SSPPNNN C28H44N10O13 728.3089 NA PeJP NA NA +PJ023073 SNDKEH C28H44N10O13 728.309 NA PeJP NA NA +PJ023074 GCCKRY C29H48N10O8S2 728.3098 NA PeJP NA NA +PJ023075 GNQHHH C29H40N14O9 728.3103 NA PeJP NA NA +PJ023076 SPPNEW C33H44N8O11 728.313 NA PeJP NA NA +PJ023077 SSNKMY C30H48N8O11S 728.3163 NA PeJP NA NA +PJ023078 ALEEMH C30H48N8O11S 728.3164 NA PeJP NA NA +PJ023079 PTYYW C38H44N6O9 728.317 NA PeJP NA NA +PJ023080 CQHRW C31H44N12O7S 728.3177 NA PeJP NA NA +MJ092272 Taxuspine A C42H48O11 728.319662 NA MeJP NA NA +PJ023081 SSNEHR C27H44N12O12 728.3202 NA PeJP NA NA +PJ023082 GPVMYY C35H48N6O9S 728.3204 NA PeJP NA NA +PJ023083 ATLMMY C32H52N6O9S2 728.3237 NA PeJP NA NA +PJ023084 GSDKHW C32H44N10O10 728.3242 NA PeJP NA NA +MJ092273 Shimofuridin A; 9''-O-Deacyl, 9''-(2,4-decadienoyl)(E,E-) C36H48N4O12 728.326873 NA MeJP NA NA +PJ023085 PPNDMR C29H48N10O10S 728.3276 NA PeJP NA NA +PJ023086 GSPPWW C37H44N8O8 728.3282 NA PeJP NA NA +PJ023087 APPQMW C34H48N8O8S 728.3316 NA PeJP NA NA +PJ023088 GSSSTKY C30H48N8O13 728.3341 NA PeJP NA NA +PJ023089 GCKKMY C31H52N8O8S2 728.335 NA PeJP NA NA +PJ023090 GSSHRW C31H44N12O9 728.3355 NA PeJP NA NA +PJ023091 VMFFW C39H48N6O6S 728.3356 NA PeJP NA NA +PJ023092 AALEYY C35H48N6O11 728.3381 NA PeJP NA NA +PJ023093 GTQMHR C28H48N12O9S 728.3388 NA PeJP NA NA +PJ023094 AAHHFF C36H44N10O7 728.3395 NA PeJP NA NA +MJ092274 Zaragozic acid C; 4',5'-Dihydro, O-de-Ac, 3-Me ester C39H52O13 728.340791 NA MeJP NA NA +PJ023095 TTTLMY C32H52N6O11S 728.3415 NA PeJP NA NA +PJ023096 QKMHW C33H48N10O7S 728.3428 NA PeJP NA NA +PJ023097 APPCRW C33H48N10O7S 728.3429 NA PeJP NA NA +PJ023098 APQEER C29H48N10O12 728.3453 NA PeJP NA NA +PJ023099 GAAPEER C29H48N10O12 728.3454 NA PeJP NA NA +PJ023100 GNKHHH C30H44N14O8 728.3467 NA PeJP NA NA +MJ092275 Hordatine B; O-De-Me, 4'-?-D-glucopyranoside C34H48N8O10 728.349339 NA MeJP NA NA +PJ023101 GPLQEW C34H48N8O10 728.3494 NA PeJP NA NA +PJ023102 GTCHRR C27H48N14O8S 728.3501 NA PeJP NA NA +PJ023103 LHHHW C35H44N12O6 728.3507 NA PeJP NA NA +MJ092276 Finetiadine C38H52N2O12 728.352025 NA MeJP NA NA +PJ023104 STCKKY C31H52N8O10S 728.3527 NA PeJP NA NA +PJ023105 GAPPKEM C31H52N8O10S 728.3528 NA PeJP NA NA +PJ023106 VVYYW C39H48N6O8 728.3534 NA PeJP NA NA +PJ023107 CKHRW C32H48N12O6S 728.3541 NA PeJP NA NA +7484 ACE inhibitor (fr, of as2-casein, 189-192) AMPKPW 728.3544 antioxidative Inhouse_peptide NA peptide +PJ023108 GPDERR C28H48N12O11 728.3566 NA PeJP NA NA +PJ023109 GVLMFY C36H52N6O8S 728.3568 NA PeJP NA NA +PJ023110 PLLEEE C32H52N6O13 728.3593 NA PeJP NA NA +PJ023111 AAPERW C33H48N10O9 728.3606 NA PeJP NA NA +PJ023112 PPTQMR C30H52N10O9S 728.364 NA PeJP NA NA +PJ023113 PLQWW C38H48N8O7 728.3646 NA PeJP NA NA +MJ092277 Disorazole A1; Deepoxy, O-de-Me C42H52N2O9 728.367281 NA MeJP NA NA +MJ092278 Isothalirine C42H52N2O9 728.367281 NA MeJP NA NA +PJ023114 SSSHRR C27H48N14O10 728.3678 NA PeJP NA NA +PJ023115 APPKMW C35H52N8O7S 728.368 NA PeJP NA NA +PJ023116 PVQKEE C31H52N8O12 728.3705 NA PeJP NA NA +PJ023117 VVLMMH C32H56N8O7S2 728.3714 NA PeJP NA NA +PJ023118 PDRRW C32H48N12O8 728.3718 NA PeJP NA NA +PJ023119 GGGVHFR C32H48N12O8 728.3719 NA PeJP NA NA +PJ023120 GTLLYY C36H52N6O10 728.3745 NA PeJP NA NA +PJ023121 PPTCRR C29H52N12O8S 728.3752 NA PeJP NA NA +PJ023122 KKMHW C34H52N10O6S 728.3792 NA PeJP NA NA +PJ023123 APKEER C30H52N10O11 728.3817 NA PeJP NA NA +PJ023124 GGGGPKKE C30H52N10O11 728.3818 NA PeJP NA NA +PJ023125 NHFRR C31H48N14O7 728.3831 NA PeJP NA NA +PJ023126 PPTTKW C35H52N8O9 728.3857 NA PeJP NA NA +PJ023127 GPLKEW C35H52N8O9 728.3858 NA PeJP NA NA +MJ092279 Gyalanine A C39H56N2O11 728.38841 NA MeJP NA NA +MJ092280 Gyalanine B C39H56N2O11 728.38841 NA MeJP NA NA +PJ023128 PPKKEM C32H56N8O9S 728.3891 NA PeJP NA NA +PJ023129 GVLFFF C40H52N6O7 728.3898 NA PeJP NA NA +MJ092281 1,2,3-Trihydroxy-14-taraxeren-28-oic acid, 2,3-Bis(4-hydroxybenzoyl) C44H56O9 728.392433 NA MeJP NA NA +PJ023130 APTERR C29H52N12O10 728.393 NA PeJP NA NA +PJ023131 GPTLRW C34H52N10O8 728.397 NA PeJP NA NA +MJ092282 8(14),15-Pimaradiene-3,12-diol, 3-O-[?-D-Fucopyranosyl(1?2)-?-L-arabinopyranoside],12-O-?-D-fucopyranoside C37H60O14 728.398306 NA MeJP NA NA +MJ092283 3,11,14-Trihydroxy-12-oxobufa-20,22-dienolide, 3-Suberoyl-L-arginine ester C38H56N4O10 728.399644 NA MeJP NA NA +MJ092284 3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 3-O-(L-Argininylsuberoyl) C38H56N4O10 728.399644 NA MeJP NA NA +PJ023132 PPTKMR C31H56N10O8S 728.4004 NA PeJP NA NA +PJ023133 PLKWW C39H52N8O6 728.401 NA PeJP NA NA +PJ023134 AAQQRR C28H52N14O9 728.4042 NA PeJP NA NA +PJ023135 PVKKEE C32H56N8O11 728.4069 NA PeJP NA NA +MJ092285 Glossophyllin C48H56O6 728.407689 NA MeJP NA NA +PJ023136 GPPFRR C33H52N12O7 728.4082 NA PeJP NA NA +PJ023137 GPLMRR C30H56N12O7S 728.4116 NA PeJP NA NA +MJ092286 Avermectin B1a; O5-Me, 3'-O-de-Me, 4'-O-deglycosyl C41H60O11 728.413562 NA MeJP NA NA +C11966 Avermectin A1b monosaccharide C41H60O11 728.4136 NA KEGG NA NA +C11981 Avermectin B1a monosaccharide C41H60O11 728.4136 NA KEGG NA NA +PJ023138 NQRRR C27H52N16O8 728.4154 NA PeJP NA NA +PJ023139 GGGARRR C27H52N16O8 728.4155 NA PeJP NA NA +2584 tenecin-1 (34-42) CNGKRVCVCG 728.4159 NA Inhouse_peptide NA peptide +PJ023140 SPLKER C31H56N10O10 728.4181 NA PeJP NA NA +PJ023141 SPVLKW C36H56N8O8 728.4221 NA PeJP NA NA +PJ023142 GGALLLW C36H56N8O8 728.4222 NA PeJP NA NA +PJ023143 PLLQKM C33H60N8O8S 728.4255 NA PeJP NA NA +PJ023144 AVQQKR C30H56N12O9 728.4293 NA PeJP NA NA +PJ023145 GVLERR C30H56N12O9 728.4294 NA PeJP NA NA +PJ023146 LLLLEE C34H60N6O11 728.432 NA PeJP NA NA +PJ023147 AALLRW C35H56N10O7 728.4334 NA PeJP NA NA +MJ092287 2,3,22-Trihydroxycholestan-6-one, 22-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside] C38H64O13 728.434692 NA MeJP NA NA +MJ092288 Cholest-22-ene-3,6,8,15,24-pentol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] C38H64O13 728.434692 NA MeJP NA NA +PJ023148 PVVKMR C32H60N10O7S 728.4368 NA PeJP NA NA +3892 temporin G FFPVIGRILNGIL~ 728.43895 MH2+ Inhouse_peptide NA peptide +PJ023149 LERRR C29H56N14O8 728.4406 NA PeJP NA NA +MJ092289 Dynastin 1 C33H60N8O10 728.44324 NA MeJP NA NA +PJ023150 VLLQKE C33H60N8O10 728.4433 NA PeJP NA NA +PJ023151 VLRRW C34H56N12O6 728.4446 NA PeJP NA NA +MJ092290 21,23-Epoxy-4,7,11-trihydroxy-3,4-secoapotirucalla-14,24-dien-3-oic acid, 7,11-Bis(2R-hydroxy-3-methyl-3E-pentenoyl) C42H64O10 728.449948 NA MeJP NA NA +3873 vespa-like peptide from R, Esculenta FLPILGKILGQLF~ 728.451 MH2+ Inhouse_peptide NA peptide +PJ023152 NKRRR C28H56N16O7 728.4518 NA PeJP NA NA +PJ023153 ALLKER C32H60N10O9 728.4545 NA PeJP NA NA +PJ023154 GLLLKW C37H60N8O7 728.4585 NA PeJP NA NA +PJ023155 PLLKKM C34H64N8O7S 728.4619 NA PeJP NA NA +MJ092291 Flexixanthin; 3-Deoxy, 3',4'-dihydro, O-?-D-glucopyranoside C46H64O7 728.465204 NA MeJP NA NA +MJ092292 Myxol; 3-Ketone, 2'-O-?-L-rhamnopyranoside C46H64O7 728.465204 NA MeJP NA NA +PJ023156 ATLLRR C31H60N12O8 728.4657 NA PeJP NA NA +PJ023157 GGALKKR C31H60N12O8 728.4658 NA PeJP NA NA +MJ092293 6,14,16,24,32,34-Hexahydroxy-4,8,12,22,26,30-nonatriacontanehexone C39H68O12 728.471077 NA MeJP NA NA +PJ023158 AAKKRR C30H60N14O7 728.477 NA PeJP NA NA +PJ023159 VLLKKE C34H64N8O9 728.4797 NA PeJP NA NA +PJ023160 SLLLKR C33H64N10O8 728.4909 NA PeJP NA NA +PJ023161 GLKKKR C32H64N12O7 728.5021 NA PeJP NA NA +PJ023162 VVKKKK C34H68N10O7 728.5273 NA PeJP NA NA +MJ092294 1,2-Di-O-acylglycerols; Glycerol 1-(9Z-octadecenoate) 2-tetradecanoate, 3-O-?-D-Galactopyranoside (2S-) C41H76O10 728.543848 NA MeJP NA NA +EUR1079 SM(d18:1/18:1) monoisotopic mass C41H81N2O6P 728.583226 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1079 SM(d18:1/18:1) monoisotopic mass C41H81N2O6P 728.583226 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1079 SM(d18:1/18:1) monoisotopic mass C41H81N2O6P 728.583226 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1079 SM(d18:1/18:1) monoisotopic mass C41H81N2O6P 728.583226 masses lipides attendues Inhousejuil11 NA NA +HMDB12100 SM(d18:1/18:1(11Z)) C41H81N2O6P 728.583252 NA HMDB2010 NA NA +HMDB12101 SM(d18:1/18:1(9Z)) C41H81N2O6P 728.583252 NA HMDB2010 NA NA +MJ092295 1,34-Tetratriacontanediol; 1-O-(4-Hydroxy-3-methoxycinnamoyl)(E-), 34-Ac C46H80O6 728.59549 NA MeJP NA NA +HMDB07471 DG(20:3(5Z,8Z,11Z)/24:1(15Z)/0:0) C47H84O5 728.631897 NA HMDB2010 NA NA +HMDB07500 DG(20:3(8Z,11Z,14Z)/24:1(15Z)/0:0) C47H84O5 728.631897 NA HMDB2010 NA NA +HMDB07528 DG(20:4(5Z,8Z,11Z,14Z)/24:0/0:0) C47H84O5 728.631897 NA HMDB2010 NA NA +HMDB07557 DG(20:4(8Z,11Z,14Z,17Z)/24:0/0:0) C47H84O5 728.631897 NA HMDB2010 NA NA +HMDB07611 DG(22:0/22:4(7Z,10Z,13Z,16Z)/0:0) C47H84O5 728.631897 NA HMDB2010 NA NA +HMDB07668 DG(22:2(13Z,16Z)/22:2(13Z,16Z)/0:0) C47H84O5 728.631897 NA HMDB2010 NA NA +HMDB07695 DG(22:4(7Z,10Z,13Z,16Z)/22:0/0:0) C47H84O5 728.631897 NA HMDB2010 NA NA +HMDB07808 DG(24:0/20:4(5Z,8Z,11Z,14Z)/0:0) C47H84O5 728.631897 NA HMDB2010 NA NA +HMDB07809 DG(24:0/20:4(8Z,11Z,14Z,17Z)/0:0) C47H84O5 728.631897 NA HMDB2010 NA NA +HMDB07835 DG(24:1(15Z)/20:3(5Z,8Z,11Z)/0:0) C47H84O5 728.631897 NA HMDB2010 NA NA +HMDB07836 DG(24:1(15Z)/20:3(8Z,11Z,14Z)/0:0) C47H84O5 728.631897 NA HMDB2010 NA NA +MJ092296 Amphiasterin A3; 32',33'-Didehydro(E-) C49H92O3 728.704646 NA MeJP NA NA +3195 crabolin-like from skin of frog Rana esculenta FLPLAIGLLGKLFG 728.943 MH2+ Inhouse_peptide NA peptide +3877 vespa-like peptide from R, Esculenta FLPLIAGLLGKLFG 728.943 MH2+ Inhouse_peptide NA peptide +PJ023163 GCCCDDD C23H35N7O14S3 729.1405 NA PeJP NA NA +PJ023164 SPCCCCD C24H39N7O11S4 729.1591 NA PeJP NA NA +MJ092297 [[4'-[[1-[2-Bromo-5-[(1-oxopentyl)amino]phenyl]-3-ethyl-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]methyl]-3'-fluoro[1,1'-biphenyl]-2-yl]sulfonyl]carbamic acid; tert-Butyl ester C33H37BrFN5O6S 729.163195 NA MeJP NA NA +PJ023165 GCCCCNQ C23H39N9O10S4 729.1703 NA PeJP NA NA +PJ023166 GSCCDDM C24H39N7O13S3 729.1768 NA PeJP NA NA +MJ092298 Piridicillin C32H35N5O11S2 729.177448 NA MeJP NA NA +PJ023167 APCCCCM C25H43N7O8S5 729.1777 NA PeJP NA NA +PJ023168 SSCCCNN C23H39N9O12S3 729.1881 NA PeJP NA NA +PJ023169 SCCCEW C28H39N7O10S3 729.1921 NA PeJP NA NA +PJ023170 SSSCCDE C24H39N7O15S2 729.1946 NA PeJP NA NA +PJ023171 CCNEMM C25H43N7O10S4 729.1954 NA PeJP NA NA +PJ023172 GGCCEMM C25H43N7O10S4 729.1955 NA PeJP NA NA +PJ023173 CCCDMR C24H43N9O9S4 729.2067 NA PeJP NA NA +PJ023174 CCNDEF C28H39N7O12S2 729.2098 NA PeJP NA NA +PJ023175 GGCCDEF C28H39N7O12S2 729.2099 NA PeJP NA NA +PJ023176 GCCMMW C29H43N7O7S4 729.2107 NA PeJP NA NA +PJ023177 GSSCDMM C25H43N7O12S3 729.2132 NA PeJP NA NA +PJ023178 CCCQHH C26H39N11O8S3 729.2146 NA PeJP NA NA +PJ023179 NDDDDH C26H35N9O16 729.2202 NA PeJP NA NA +PJ023180 CCNNNY C27H39N9O11S2 729.2211 NA PeJP NA NA +PJ023181 GCCDFW C32H39N7O9S2 729.2251 NA PeJP NA NA +PJ023182 SCNDEY C28H39N7O14S 729.2276 NA PeJP NA NA +PJ023183 STCCMW C29H43N7O9S3 729.2285 NA PeJP NA NA +PJ023184 SSSSCEM C25H43N7O14S2 729.231 NA PeJP NA NA +PJ023185 SCQMMM C26H47N7O9S4 729.2318 NA PeJP NA NA +PJ023186 GSSCCHH C26H39N11O10S2 729.2323 NA PeJP NA NA +PJ023187 GSPCDDH C27H39N9O13S 729.2388 NA PeJP NA NA +PJ023188 APPCCCH C28H43N9O8S3 729.2397 NA PeJP NA NA +PJ023189 GSCDYW C32H39N7O11S 729.2429 NA PeJP NA NA +PJ023190 SCCMMR C25H47N9O8S4 729.2431 NA PeJP NA NA +PJ023191 GSSSDDY C28H39N7O16 729.2454 NA PeJP NA NA +PJ023192 GNDMMY C29H43N7O11S2 729.2462 NA PeJP NA NA +PJ023193 GSSSMMM C26H47N7O11S3 729.2496 NA PeJP NA NA +PJ023194 CNNNEH C26H39N11O12S 729.2501 NA PeJP NA NA +PJ023195 CCCKHH C27H43N11O7S3 729.2509 NA PeJP NA NA +PJ023196 SNDEEH C27H39N9O15 729.2566 NA PeJP NA NA +PJ023197 GCCERY C28H43N9O10S2 729.2575 NA PeJP NA NA +PJ023198 GNDDFY C32H39N7O13 729.2606 NA PeJP NA NA +PJ023199 CQMYW C33H43N7O8S2 729.2615 NA PeJP NA NA +PJ023200 SSNEMY C29H43N7O13S 729.264 NA PeJP NA NA +PJ023201 GNMMMF C30H47N7O8S3 729.2649 NA PeJP NA NA +PJ023202 GCNNHW C30H39N11O9S 729.2653 NA PeJP NA NA +PJ023203 SSSSTMM C26H47N7O13S2 729.2673 NA PeJP NA NA +PJ023204 GSSNNDH C26H39N11O14 729.2678 NA PeJP NA NA +PJ023205 SCKMMM C27H51N7O8S4 729.2682 NA PeJP NA NA +PJ023206 PCCDHR C27H43N11O9S2 729.2687 NA PeJP NA NA +PJ023207 GSDEHW C31H39N9O12 729.2719 NA PeJP NA NA +PJ023208 CCRYW C32H43N9O7S2 729.2727 NA PeJP NA NA +PJ023209 SSCDRY C28H43N9O12S 729.2752 NA PeJP NA NA +PJ023210 ACCMFR C29H47N9O7S3 729.2761 NA PeJP NA NA +PJ023211 GSSMYW C33H43N7O10S 729.2792 NA PeJP NA NA +PJ023212 GGGDMFF C33H43N7O10S 729.2793 NA PeJP NA NA +PJ023213 GSSSTEY C29H43N7O15 729.2817 NA PeJP NA NA +PJ023214 GTQMMY C30H47N7O10S2 729.2826 NA PeJP NA NA +PJ023215 SNNQMH C27H43N11O11S 729.2864 NA PeJP NA NA +PJ023216 GDDMHR C27H43N11O11S 729.2865 NA PeJP NA NA +PJ023217 SDHWW C35H39N9O9 729.2871 NA PeJP NA NA +PJ023218 QEMHW C32H43N9O9S 729.2905 NA PeJP NA NA +PJ023219 STQEEH C28H43N9O14 729.293 NA PeJP NA NA +PJ023220 GTCMRY C29H47N9O9S2 729.2938 NA PeJP NA NA +PJ023221 PCDKMH C29H47N9O9S2 729.2939 NA PeJP NA NA +PJ023222 GNEHHH C29H39N13O10 729.2943 NA PeJP NA NA +PJ023223 CQFFW C37H43N7O7S 729.2945 NA PeJP NA NA +PJ023224 SSSTYW C33H43N7O12 729.297 NA PeJP NA NA +PJ023225 SCNNHR C26H43N13O10S 729.2977 NA PeJP NA NA +PJ023226 CKMYW C34H47N7O7S2 729.2979 NA PeJP NA NA +MJ092299 Disnogamycin C37H47NO14 729.299655 NA MeJP NA NA +PJ023227 SSDKMY C30H47N7O12S 729.3004 NA PeJP NA NA +PJ023228 ACKMMF C31H51N7O7S3 729.3012 NA PeJP NA NA +PJ023229 CEHRW C31H43N11O8S 729.3017 NA PeJP NA NA +PJ023230 SSDEHR C27H43N11O13 729.3042 NA PeJP NA NA +PJ023231 SPCMHR C28H47N11O8S2 729.3051 NA PeJP NA NA +PJ023232 AMHWW C36H43N9O6S 729.3057 NA PeJP NA NA +PJ023233 GTTEHW C32H43N9O11 729.3082 NA PeJP NA NA +PJ023234 GGGGAPEW C32H43N9O11 729.3083 NA PeJP NA NA +PJ023235 NHHHW C33H39N13O7 729.3096 NA PeJP NA NA +PJ023236 SSSMRY C29H47N9O11S 729.3116 NA PeJP NA NA +PJ023237 AQYYW C37H43N7O9 729.3122 NA PeJP NA NA +PJ023238 GAAYYW C37H43N7O9 729.3123 NA PeJP NA NA +PJ023239 APPEMW C34H47N7O9S 729.3156 NA PeJP NA NA +PJ023240 SSSSSLY C30H47N7O14 729.3181 NA PeJP NA NA +PJ023241 GTKMMY C31H51N7O9S2 729.319 NA PeJP NA NA +PJ023242 GNQQHF C31H43N11O10 729.3195 NA PeJP NA NA +PJ023243 GTEMHR C28H47N11O10S 729.3228 NA PeJP NA NA +PJ023244 GGGSPPCR C28H47N11O10S 729.3229 NA PeJP NA NA +MJ092300 Cyclotheonamide A; 4,5-Didehydro(Z-) C36H43N9O8 729.323459 NA MeJP NA NA +PJ023245 TTHWW C36H43N9O8 729.3235 NA PeJP NA NA +PJ023246 NMFRY C33H47N9O8S 729.3268 NA PeJP NA NA +PJ023247 KEMHW C33H47N9O8S 729.3269 NA PeJP NA NA +PJ023248 SSPTTTH C29H47N9O13 729.3293 NA PeJP NA NA +PJ023249 APEEER C29H47N9O13 729.3294 NA PeJP NA NA +PJ023250 SPKMMH C30H51N9O8S2 729.3302 NA PeJP NA NA +PJ023251 GDKHHH C30H43N13O9 729.3307 NA PeJP NA NA +PJ023252 CKFFW C38H47N7O6S 729.3309 NA PeJP NA NA +PJ023253 GPLEEW C34H47N7O11 729.3334 NA PeJP NA NA +PJ023254 GPPHHW C35H43N11O7 729.3347 NA PeJP NA NA +3631 NA YPFGFT~ 729.335 ACE inhibitor Inhouse_peptide NA peptide +7069 coeliac toxic peptide FSQPQQQFPQPQ 729.336 MH2+ Inhouse_peptide NA peptide +PJ023255 STTKMY C31H51N7O11S 729.3367 NA PeJP NA NA +PJ023256 PPKEEM C31H51N7O11S 729.3368 NA PeJP NA NA +PJ023257 TMHRW C32H47N11O7S 729.3381 NA PeJP NA NA +PJ023258 STTEHR C28H47N11O12 729.3406 NA PeJP NA NA +PJ023259 GVMMHR C29H51N11O7S2 729.3415 NA PeJP NA NA +PJ023260 GSHHHR C29H43N15O8 729.3419 NA PeJP NA NA +PJ023261 SSTLHW C33H47N9O10 729.3446 NA PeJP NA NA +PJ023262 PPTEMR C30H51N9O10S 729.348 NA PeJP NA NA +PJ023263 PLEWW C38H47N7O8 729.3486 NA PeJP NA NA +PJ023264 GGGVFFF C38H47N7O8 729.3487 NA PeJP NA NA +PJ023265 GNQQQR C27H47N13O11 729.3518 NA PeJP NA NA +PJ023266 GGGGGGVNR C27H47N13O11 729.3519 NA PeJP NA NA +PJ023267 SPPLMW C35H51N7O8S 729.352 NA PeJP NA NA +MJ092301 Jubanine B C43H47N5O6 729.352634 NA MeJP NA NA +PJ023268 MMHRR C28H51N13O6S2 729.3527 NA PeJP NA NA +PJ023269 PVKEEE C31H51N7O13 729.3545 NA PeJP NA NA +PJ023270 AAPPLMM C32H55N7O8S2 729.3554 NA PeJP NA NA +PJ023271 ASPNRW C32H47N11O9 729.3558 NA PeJP NA NA +PJ023272 GSPQRW C32H47N11O9 729.3559 NA PeJP NA NA +PJ023273 SSLMHR C29H51N11O9S 729.3592 NA PeJP NA NA +PJ023274 PNKWW C37H47N9O7 729.3599 NA PeJP NA NA +PJ023275 GNNNRR C26H47N15O10 729.3631 NA PeJP NA NA +PJ023276 APKMHF C34H51N9O7S 729.3633 NA PeJP NA NA +PJ023277 SPLEER C30H51N9O12 729.3657 NA PeJP NA NA +PJ023278 GGPDKKE C30H51N9O12 729.3658 NA PeJP NA NA +PJ023279 PPVMMR C31H55N9O7S2 729.3666 NA PeJP NA NA +PJ023280 DHFRR C31H47N13O8 729.3671 NA PeJP NA NA +PJ023281 SPVLEW C35H51N7O10 729.3698 NA PeJP NA NA +PJ023282 GPNMRR C28H51N13O8S 729.3705 NA PeJP NA NA +PJ023283 PLLQEM C32H55N7O10S 729.3731 NA PeJP NA NA +PJ023284 GAPILEM C32H55N7O10S 729.3732 NA PeJP NA NA +PJ023285 SPNKER C29H51N11O11 729.377 NA PeJP NA NA +PJ023286 GPDKKW C34H51N9O9 729.381 NA PeJP NA NA +PJ023287 PVVEMR C31H55N9O9S 729.3844 NA PeJP NA NA +PJ023288 APPLFW C39H51N7O7 729.385 NA PeJP NA NA +MJ092302 27-[[3-[2-[(3-Carboxy-1-oxo-2-propenyl)amino]-5-hydroxyphenyl]-1-oxo-2-propenyl]oxy]-3-oxoolean-12-en-28-oic acid C43H55NO9 729.387682 NA MeJP NA NA +MJ092303 27-[[3-[2-[(3-Carboxy-1-oxo-2-propenyl)amino]-5-hydroxyphenyl]-1-oxo2-propenyl]oxy]-3-oxoolean-12-en-28-oic acid C43H55NO9 729.387682 NA MeJP NA NA +PJ023289 AAQERR C28H51N13O10 729.3882 NA PeJP NA NA +PJ023290 APLLMW C36H55N7O7S 729.3884 NA PeJP NA NA +8119 peptide derived from giant squid muscle (Dosidicus gigas) NGLEGLK 729.3889 anticancer Inhouse_peptide NA peptide +PJ023291 VLLQEE C32H55N7O12 729.3909 NA PeJP NA NA +PJ023292 GSPKRW C33H51N11O8 729.3922 NA PeJP NA NA +PJ023293 GGAALRW C33H51N11O8 729.3923 NA PeJP NA NA +2630 synthetic fr,of human beta-CN (47-52) ACE inhibitor QPLIYP 729.393 NA Inhouse_peptide NA peptide +PJ023294 APQKMR C30H55N11O8S 729.3956 NA PeJP NA NA +PJ023295 LKHFW C38H51N9O6 729.3963 NA PeJP NA NA +PJ023296 DQRRR C27H51N15O9 729.3994 NA PeJP NA NA +PJ023297 NERRR C27H51N15O9 729.3995 NA PeJP NA NA +PJ023298 ALLEER C31H55N9O11 729.4021 NA PeJP NA NA +PJ023299 AAAAAVKE C31H55N9O11 729.4022 NA PeJP NA NA +PJ023300 VNRRW C32H51N13O7 729.4035 NA PeJP NA NA +PJ023301 GLLLEW C36H55N7O9 729.4062 NA PeJP NA NA +PJ023302 APCKRR C29H55N13O7S 729.4069 NA PeJP NA NA +PJ023303 PLLKEM C33H59N7O9S 729.4095 NA PeJP NA NA +MJ092304 Exumolide A C41H55N5O7 729.410149 NA MeJP NA NA +PJ023304 GLQKER C30H55N11O10 729.4134 NA PeJP NA NA +PJ023305 GRRRW C31H51N15O6 729.4147 NA PeJP NA NA +PJ023306 APTKKW C35H55N9O8 729.4174 NA PeJP NA NA +PJ023307 PTLLMR C32H59N9O8S 729.4208 NA PeJP NA NA +PJ023308 LLLWW C40H55N7O6 729.4214 NA PeJP NA NA +PJ023309 AAKERR C29H55N13O9 729.4246 NA PeJP NA NA +PJ023310 VLLKEE C33H59N7O11 729.4273 NA PeJP NA NA +PJ023311 LQKRW C34H55N11O7 729.4286 NA PeJP NA NA +PJ023312 APKKMR C31H59N11O7S 729.432 NA PeJP NA NA +PJ023313 DKRRR C28H55N15O8 729.4358 NA PeJP NA NA +PJ023314 SLLLER C32H59N9O10 729.4385 NA PeJP NA NA +PJ023315 SVLLLW C37H59N7O8 729.4425 NA PeJP NA NA +PJ023316 GAPLLLF C37H59N7O8 729.4426 NA PeJP NA NA +PJ023317 LLLLQM C34H63N7O8S 729.4459 NA PeJP NA NA +PJ023318 SRRRR C27H55N17O7 729.4471 NA PeJP NA NA +PJ023319 SVLQKR C31H59N11O9 729.4497 NA PeJP NA NA +PJ023320 GLKKER C31H59N11O9 729.4498 NA PeJP NA NA +PJ023321 GVLKKW C36H59N9O7 729.4538 NA PeJP NA NA +PJ023322 VVLLMR C33H63N9O7S 729.4572 NA PeJP NA NA +HMDB12337 PS(14:0/18:3(9Z,12Z,15Z)) C38H68NO10P 729.458069 NA HMDB2010 NA NA +HMDB12347 PS(14:1(9Z)/18:2(9Z,12Z)) C38H68NO10P 729.458069 NA HMDB2010 NA NA +HMDB12397 PS(18:2(9Z,12Z)/14:1(9Z)) C38H68NO10P 729.458069 NA HMDB2010 NA NA +HMDB12407 PS(18:3(9Z,12Z,15Z)/14:0) C38H68NO10P 729.458069 NA HMDB2010 NA NA +PJ023323 GTLKRR C30H59N13O8 729.461 NA PeJP NA NA +PJ023324 GTTLLLL C34H63N7O10 729.4637 NA PeJP NA NA +PJ023325 LKKRW C35H59N11O6 729.465 NA PeJP NA NA +PJ023326 VVKKKE C33H63N9O9 729.4749 NA PeJP NA NA +PJ023327 PLLLKF C38H63N7O7 729.4789 NA PeJP NA NA +PJ023328 LLLLKM C35H67N7O7S 729.4823 NA PeJP NA NA +PJ023329 SVLKKR C32H63N11O8 729.4861 NA PeJP NA NA +PJ023330 TLLKKK C34H67N9O8 729.5113 NA PeJP NA NA +PJ023331 AKKKKK C33H67N11O7 729.5225 NA PeJP NA NA +EUR934 PC 32:2 monoisotopic mass C40H76NO8P 729.530857 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR934 PC 32:2 monoisotopic mass C40H76NO8P 729.530857 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR934 PC 32:2 monoisotopic mass C40H76NO8P 729.530857 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR934 PC 32:2 monoisotopic mass C40H76NO8P 729.530857 masses lipides attendues Inhousejuil11 NA NA +HMDB07874 PC(14:0/18:2(9Z,12Z)) C40H76NO8P 729.530884 NA HMDB2010 NA NA +HMDB07905 PC(14:1(9Z)/18:1(11Z)) C40H76NO8P 729.530884 NA HMDB2010 NA NA +HMDB07906 PC(14:1(9Z)/18:1(9Z)) C40H76NO8P 729.530884 NA HMDB2010 NA NA +HMDB08002 PC(16:1(9Z)/16:1(9Z)) C40H76NO8P 729.530884 NA HMDB2010 NA NA +HMDB08065 PC(18:1(11Z)/14:1(9Z)) C40H76NO8P 729.530884 NA HMDB2010 NA NA +HMDB08098 PC(18:1(9Z)/14:1(9Z)) C40H76NO8P 729.530884 NA HMDB2010 NA NA +HMDB08130 PC(18:2(9Z,12Z)/14:0) C40H76NO8P 729.530884 NA HMDB2010 NA NA +HMDB08901 PE(15:0/20:2(11Z,14Z)) C40H76NO8P 729.530884 NA HMDB2010 NA NA +HMDB09285 PE(20:2(11Z,14Z)/15:0) C40H76NO8P 729.530884 NA HMDB2010 NA NA +MJ092305 Bis(2,3,6-tribromo-4,5-dihydroxybenzyl) ether C14H8Br6O5 729.547199 NA MeJP NA NA +HMDB07963 PC(15:0/P-18:1(11Z)) C41H80NO7P 729.567261 NA HMDB2010 NA NA +HMDB07964 PC(15:0/P-18:1(9Z)) C41H80NO7P 729.567261 NA HMDB2010 NA NA +HMDB09017 PE(18:0/P-18:1(11Z)) C41H80NO7P 729.567261 NA HMDB2010 NA NA +HMDB09018 PE(18:0/P-18:1(9Z)) C41H80NO7P 729.567261 NA HMDB2010 NA NA +HMDB09049 PE(18:1(11Z)/P-18:0) C41H80NO7P 729.567261 NA HMDB2010 NA NA +HMDB09082 PE(18:1(9Z)/P-18:0) C41H80NO7P 729.567261 NA HMDB2010 NA NA +HMDB09279 PE(20:1(11Z)/P-16:0) C41H80NO7P 729.567261 NA HMDB2010 NA NA +HMDB11271 PC(P-18:1(11Z)/15:0) C41H80NO7P 729.567261 NA HMDB2010 NA NA +HMDB11304 PC(P-18:1(9Z)/15:0) C41H80NO7P 729.567261 NA HMDB2010 NA NA +HMDB11348 PE(P-16:0/20:1(11Z)) C41H80NO7P 729.567261 NA HMDB2010 NA NA +HMDB11374 PE(dm18:0/18:1(11Z)) C41H80NO7P 729.567261 NA HMDB2010 NA NA +HMDB11375 PE(P-18:0/18:1(9Z)) C41H80NO7P 729.567261 NA HMDB2010 NA NA +HMDB11406 PE(P-18:1(11Z)/18:0) C41H80NO7P 729.567261 NA HMDB2010 NA NA +HMDB11439 PE(P-18:1(9Z)/18:0) C41H80NO7P 729.567261 NA HMDB2010 NA NA +HMDB10704 CerP(d18:1/24:0) C42H84NO6P 729.603638 NA HMDB2010 NA NA +MJ092306 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3-O-(4-Hydroxybenzoyl) C37H30O16 730.153384 NA MeJP NA NA +MJ092307 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'-O-(4-Hydroxybenzoyl) C37H30O16 730.153384 NA MeJP NA NA +MJ092308 3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 3'-(3,4,5-Trihydroxybenzoyl) C37H30O16 730.153384 NA MeJP NA NA +MJ092309 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-(3,4,5-Trihydroxybenzoyl) C37H30O16 730.153384 NA MeJP NA NA +MJ092310 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3-(3,4,5-Trihydroxybenzoyl) C37H30O16 730.153384 NA MeJP NA NA +MJ092311 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-(3,4,5-Trihydroxybenzoyl) C37H30O16 730.153384 NA MeJP NA NA +MJ092312 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3-(3,4,5-Trihydroxybenzoyl) C37H30O16 730.153384 NA MeJP NA NA +MJ092313 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan; 3-(3,4,5-Trihydroxybenzoyl) C37H30O16 730.153384 NA MeJP NA NA +MJ092314 Schizotenuin B2 C37H30O16 730.153384 NA MeJP NA NA +PJ023332 GCCCCNE C23H38N8O11S4 730.1543 NA PeJP NA NA +PJ023333 CCCCNW C27H38N8O8S4 730.1696 NA PeJP NA NA +PJ023334 SSCCCND C23H38N8O13S3 730.1721 NA PeJP NA NA +FL3FACDS0016 Isorientin 4'-O-glucoside 2''-O-p-hydroxybenzoagte C34H34O18 730.17451 67308-39-8 knapsack NA NA +MJ092315 Isoorientin; 2''-O-(4-Hydroxybenzoyl), 4'-O-?-D-glucopyranoside C34H34O18 730.174514 NA MeJP NA NA +MJ092316 Isoquercitrin; O''-?-D-Glucopyranosyl, O''-benzoyl C34H34O18 730.174514 NA MeJP NA NA +MJ092317 Populnin; 3-O-(4-Hydroxybenzoyl-?-D-glucopyranoside) C34H34O18 730.174514 NA MeJP NA NA +PJ023335 CCDEMM C25H42N6O11S4 730.1795 NA PeJP NA NA +PJ023336 GSCCCQM C24H42N8O10S4 730.1907 NA PeJP NA NA +PJ023337 CCDDEF C28H38N6O13S2 730.1939 NA PeJP NA NA +PJ023338 CCCEHH C26H38N10O9S3 730.1986 NA PeJP NA NA +PJ023339 GSCCCCR C23H42N10O9S4 730.2019 NA PeJP NA NA +PJ023340 DDDDDH C26H34N8O17 730.2042 NA PeJP NA NA +MJ092318 D-glycero-L-manno-Heptose; ?-Pyranose-form, 1,2,3,4,6-Pentabenzoyl C42H34O12 730.205026 NA MeJP NA NA +PJ023341 CCNNDY C27H38N8O12S2 730.2051 NA PeJP NA NA +PJ023342 SSTCCCQ C24H42N8O12S3 730.2084 NA PeJP NA NA +PJ023343 SSSCCNM C24H42N8O12S3 730.2085 NA PeJP NA NA +PJ023344 SCDDEY C28H38N6O15S 730.2116 NA PeJP NA NA +PJ023345 PCCDMY C29H42N6O10S3 730.2125 NA PeJP NA NA +PJ023346 SCEMMM C26H46N6O10S4 730.2158 NA PeJP NA NA +PJ023347 CCNNMF C28H42N8O9S3 730.2237 NA PeJP NA NA +PJ023348 GSSSSTCC C24H42N8O14S2 730.2262 NA PeJP NA NA +PJ023349 GSCCCKM C25H46N8O9S4 730.2271 NA PeJP NA NA +PJ023350 GDDMMY C29H42N6O12S2 730.2302 NA PeJP NA NA +PJ023351 PCCMMF C30H46N6O7S4 730.2311 NA PeJP NA NA +PJ023352 CNNDEH C26H38N10O13S 730.2341 NA PeJP NA NA +PJ023353 GMMMMM C27H50N6O7S5 730.2345 NA PeJP NA NA +PJ023354 TCCMHH C27H42N10O8S3 730.235 NA PeJP NA NA +PJ023355 SDDEEH C27H38N8O16 730.2406 NA PeJP NA NA +PJ023356 SCNNMY C28H42N8O11S2 730.2415 NA PeJP NA NA +PJ023357 SSSSSSSC C24H42N8O16S 730.244 NA PeJP NA NA +PJ023358 GDDDFY C32H38N6O14 730.2446 NA PeJP NA NA +PJ023359 SSTCCCK C25H46N8O11S3 730.2448 NA PeJP NA NA +PJ023360 CEMYW C33H42N6O9S2 730.2455 NA PeJP NA NA +PJ023361 SSDEMY C29H42N6O14S 730.248 NA PeJP NA NA +PJ023362 SPCMMY C30H46N6O9S3 730.2489 NA PeJP NA NA +PJ023363 GCNDHW C30H38N10O10S 730.2493 NA PeJP NA NA +PJ023364 GGGCDHW C30H38N10O10S 730.2494 NA PeJP NA NA +PJ023365 GSSNDDH C26H38N10O15 730.2518 NA PeJP NA NA +PJ023366 GGGSSDDH C26H38N10O15 730.2519 NA PeJP NA NA +PJ023367 STMMMM C27H50N6O9S4 730.2522 NA PeJP NA NA +PJ023368 GSPCCQH C27H42N10O10S2 730.2527 NA PeJP NA NA +PJ023369 GSSSCQY C28H42N8O13S 730.2592 NA PeJP NA NA +PJ023370 GGGPPCDE C28H42N8O13S 730.2593 NA PeJP NA NA +PJ023371 CCCQKF C29H46N8O8S3 730.2601 NA PeJP NA NA +MJ092319 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9,9'-bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,E-) C40H42O13 730.262541 NA MeJP NA NA +MJ092320 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9,9'-bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,Z-) C40H42O13 730.262541 NA MeJP NA NA +MJ092321 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9,9'-bis-O-(4-hydroxy-3-methoxycinnamoyl)(Z,E-) C40H42O13 730.262541 NA MeJP NA NA +MJ092322 3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9,9'-bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,E-) C40H42O13 730.262541 NA MeJP NA NA +MJ092323 Arctignan D; 7-Ketone C40H42O13 730.262541 NA MeJP NA NA +MJ092324 Herpetetrone C40H42O13 730.262541 NA MeJP NA NA +PJ023372 GPCEYY C33H42N6O11S 730.2633 NA PeJP NA NA +PJ023373 GTEMMY C30H46N6O11S2 730.2666 NA PeJP NA NA +PJ023374 GCMHHF C31H42N10O7S2 730.268 NA PeJP NA NA +PJ023375 SNNEMH C27H42N10O12S 730.2705 NA PeJP NA NA +PJ023376 EEMHW C32H42N8O10S 730.2745 NA PeJP NA NA +PJ023377 SSSSSNY C28H42N8O15 730.277 NA PeJP NA NA +PJ023378 SCCQKY C29H46N8O10S2 730.2778 NA PeJP NA NA +PJ023379 GGTCCKY C29H46N8O10S2 730.2779 NA PeJP NA NA +PJ023380 GDEHHH C29H38N12O11 730.2783 NA PeJP NA NA +PJ023381 PCYYW C37H42N6O8S 730.2785 NA PeJP NA NA +PJ023382 QEEYY C33H42N6O13 730.281 NA PeJP NA NA +PJ023383 SCNDHR C26H42N12O11S 730.2817 NA PeJP NA NA +PJ023384 TMMYW C34H46N6O8S2 730.2819 NA PeJP NA NA +MJ092325 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2-Benzoyl, 10-(hydroxyacetyl), 4,7,9,13-tetra-Ac C37H46O15 730.28367 NA MeJP NA NA +MJ092326 Kansuinine A C37H46O15 730.28367 NA MeJP NA NA +MJ092327 Urdamycin A; 12b-De-O-glycosyl C37H46O15 730.28367 NA MeJP NA NA +PJ023385 STTEMY C30H46N6O13S 730.2844 NA PeJP NA NA +PJ023386 ATMMMF C31H50N6O8S3 730.2852 NA PeJP NA NA +PJ023387 GVMMMY C31H50N6O8S3 730.2853 NA PeJP NA NA +PJ023388 GSNMHW C31H42N10O9S 730.2857 NA PeJP NA NA +PJ023389 PNDDDR C27H42N10O14 730.2882 NA PeJP NA NA +PJ023390 GGGGGGASPD C27H42N10O14 730.2883 NA PeJP NA NA +PJ023391 GQQMMH C28H46N10O9S2 730.2891 NA PeJP NA NA +MJ092328 Pancuronium(2+); Dibromide C35H60Br2N2O4 730.291983 NA MeJP NA NA +PJ023392 DDRYY C32H42N8O12 730.2922 NA PeJP NA NA +PJ023393 GPNEEW C32H42N8O12 730.2923 NA PeJP NA NA +PJ023394 PPCMHF C33H46N8O7S2 730.2931 NA PeJP NA NA +PJ023395 DHHHW C33H38N12O8 730.2936 NA PeJP NA NA +PJ023396 GSSSCKY C29H46N8O12S 730.2956 NA PeJP NA NA +PJ023397 AEYYW C37H42N6O10 730.2963 NA PeJP NA NA +PJ023398 MMMRY C30H50N8O7S3 730.2965 NA PeJP NA NA +PJ023399 PTCHHH C30H42N12O8S 730.297 NA PeJP NA NA +PJ023400 NNNNQQ C26H42N12O13 730.2994 NA PeJP NA NA +PJ023401 GGNNNQQ C26H42N12O13 730.2995 NA PeJP NA NA +PJ023402 GPTMYY C34H46N6O10S 730.2996 NA PeJP NA NA +PJ023403 GCQMHR C27H46N12O8S2 730.3003 NA PeJP NA NA +PJ023404 PVEEEE C30H46N6O15 730.3022 NA PeJP NA NA +PJ023405 SSLMMY C31H50N6O10S2 730.303 NA PeJP NA NA +PJ023406 SSSQHW C31H42N10O11 730.3035 NA PeJP NA NA +MJ092329 4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid; 4-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside], ?-D-glucopyranosyl ester C34H50O17 730.3048 NA MeJP NA NA +PJ023407 SNDKMH C28H46N10O11S 730.3068 NA PeJP NA NA +PJ023408 GSPPCDR C28H46N10O11S 730.3069 NA PeJP NA NA +PJ023409 PNEWW C36H42N8O9 730.3075 NA PeJP NA NA +PJ023410 SPPNMW C33H46N8O9S 730.3109 NA PeJP NA NA +PJ023411 GCCHRR C26H46N14O7S2 730.3116 NA PeJP NA NA +PJ023412 PNDKEE C29H46N8O14 730.3134 NA PeJP NA NA +PJ023413 SCCKKY C30H50N8O9S2 730.3142 NA PeJP NA NA +PJ023414 ALEMMH C30H50N8O9S2 730.3143 NA PeJP NA NA +PJ023415 ATEHHH C30H42N12O10 730.3147 NA PeJP NA NA +PJ023416 CLFYW C38H46N6O7S 730.3149 NA PeJP NA NA +PJ023417 KEEYY C34H46N6O12 730.3174 NA PeJP NA NA +PJ023418 SSNMHR C27H46N12O10S 730.3181 NA PeJP NA NA +PJ023419 GVMMFF C35H50N6O7S2 730.3183 NA PeJP NA NA +PJ023420 NQHFW C35H42N10O8 730.3187 NA PeJP NA NA +PJ023421 GTCKHW C32H46N10O8S 730.3221 NA PeJP NA NA +PJ023422 GPWWW C40H42N8O6 730.3228 NA PeJP NA NA +PJ023423 SPNEER C28H46N10O13 730.3246 NA PeJP NA NA +PJ023424 PPCQMR C29H50N10O8S2 730.3255 NA PeJP NA NA +PJ023425 GPDKEW C33H46N8O11 730.3286 NA PeJP NA NA +PJ023426 GGAAPPDF C33H46N8O11 730.3287 NA PeJP NA NA +PJ023427 MMFFR C34H50N8O6S2 730.3295 NA PeJP NA NA +PJ023428 GPHHHF C34H42N12O7 730.33 NA PeJP NA NA +PJ023429 TTLEMH C30H50N8O11S 730.332 NA PeJP NA NA +PJ023430 SLYYW C38H46N6O9 730.3326 NA PeJP NA NA +PJ023431 GPTFFY C38H46N6O9 730.3327 NA PeJP NA NA +PJ023432 GLMHHH C31H46N12O7S 730.3334 NA PeJP NA NA +PJ023433 GSSSTHR C27H46N12O12 730.3358 NA PeJP NA NA +PJ023434 GGGGAQER C27H46N12O12 730.3359 NA PeJP NA NA +PJ023435 AALMYY C35H50N6O9S 730.336 NA PeJP NA NA +MJ092330 Amataine; 18-Oxo C43H46N4O7 730.336649 NA MeJP NA NA +PJ023436 PPCCRR C28H50N12O7S2 730.3367 NA PeJP NA NA +PJ023437 GSPERW C32H46N10O10 730.3399 NA PeJP NA NA +PJ023438 APQEMR C29H50N10O10S 730.3432 NA PeJP NA NA +PJ023439 GGPVDMR C29H50N10O10S 730.3433 NA PeJP NA NA +PJ023440 PDKWW C37H46N8O8 730.3439 NA PeJP NA NA +MJ092331 Neopluramycin C41H50N2O10 730.346545 NA MeJP NA NA +MJ092332 Pluramycin A; De-O-Ac C41H50N2O10 730.346545 NA MeJP NA NA +PJ023441 GNNDRR C26H46N14O11 730.3471 NA PeJP NA NA +PJ023442 GPLQMW C34H50N8O8S 730.3473 NA PeJP NA NA +PJ023443 SPPTTTQ C30H50N8O13 730.3497 NA PeJP NA NA +PJ023444 PTQKEE C30H50N8O13 730.3498 NA PeJP NA NA +PJ023445 SLLMMH C31H54N8O8S2 730.3506 NA PeJP NA NA +PJ023446 NQQRW C31H46N12O9 730.3511 NA PeJP NA NA +PJ023447 ATTLYY C35H50N6O11 730.3538 NA PeJP NA NA +PJ023448 GPDMRR C28H50N12O9S 730.3545 NA PeJP NA NA +PJ023449 SPRWW C36H46N10O7 730.3551 NA PeJP NA NA +MJ092333 Zaragozic acid B C39H54O13 730.356441 NA MeJP NA NA +PJ023450 PLLEEM C32H54N6O11S 730.3572 NA PeJP NA NA +PJ023451 AAPMRW C33H50N10O7S 730.3585 NA PeJP NA NA +MJ092334 Phospholipase A2 C29H50N10O12 730.360967 NA MeJP NA NA +PJ023452 GLQEER C29H50N10O12 730.361 NA PeJP NA NA +PJ023453 PPCKMR C30H54N10O7S2 730.3619 NA PeJP NA NA +PJ023454 GPQHHR C30H46N14O8 730.3623 NA PeJP NA NA +PJ023455 APTKEW C34H50N8O10 730.365 NA PeJP NA NA +PJ023456 PVQKEM C31H54N8O10S 730.3684 NA PeJP NA NA +PJ023457 AALFFY C39H50N6O8 730.369 NA PeJP NA NA +MJ092335 Hibispeptin A C39H50N6O8 730.369012 NA MeJP NA NA +PJ023458 AAEERR C28H50N12O11 730.3722 NA PeJP NA NA +PJ023459 GGGGAKER C28H50N12O11 730.3723 NA PeJP NA NA +PJ023460 VLLEEE C32H54N6O13 730.3749 NA PeJP NA NA +PJ023461 LQERW C33H50N10O9 730.3762 NA PeJP NA NA +PJ023462 GALERW C33H50N10O9 730.3763 NA PeJP NA NA +PJ023463 APKEMR C30H54N10O9S 730.3796 NA PeJP NA NA +PJ023464 VLQWW C38H50N8O7 730.3803 NA PeJP NA NA +PJ023465 DERRR C27H50N14O10 730.3835 NA PeJP NA NA +PJ023466 GPLKMW C35H54N8O7S 730.3837 NA PeJP NA NA +PJ023467 LLNDKE C31H54N8O12 730.3861 NA PeJP NA NA +PJ023468 PTKKEE C31H54N8O12 730.3862 NA PeJP NA NA +PJ023469 PPKKMM C32H58N8O7S2 730.387 NA PeJP NA NA +PJ023470 VDRRW C32H50N12O8 730.3875 NA PeJP NA NA +PJ023471 PPLLEY C36H54N6O10 730.3902 NA PeJP NA NA +PJ023472 APTMRR C29H54N12O8S 730.3909 NA PeJP NA NA +PJ023473 ALRWW C37H50N10O6 730.3915 NA PeJP NA NA +MJ092336 2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 16-O-(2,3-Di-O-acetyl-4,6-dideoxy-?-ribo-hexopyranoside) C40H58O12 730.392827 NA MeJP NA NA +MJ092337 Spirostane-2,3,5,6-tetrol, O2-Benzoyl, 3-O-?-D-glucopyranoside C40H58O12 730.392827 NA MeJP NA NA +PJ023474 GLKEER C30H54N10O11 730.3974 NA PeJP NA NA +PJ023475 GPKHHR C31H50N14O7 730.3987 NA PeJP NA NA +PJ023476 GVLKEW C35H54N8O9 730.4014 NA PeJP NA NA +PJ023477 PVKKEM C32H58N8O9S 730.4048 NA PeJP NA NA +PJ023478 GTLERR C29H54N12O10 730.4086 NA PeJP NA NA +MJ092338 3,3'-(Oxopropyl)dicoronaridine C45H54N4O5 730.40942 NA MeJP NA NA +MJ092339 Macrophylline C45H54N4O5 730.40942 NA MeJP NA NA +PJ023479 LKERW C34H54N10O8 730.4126 NA PeJP NA NA +PJ023480 GGGVKKW C34H54N10O8 730.4127 NA PeJP NA NA +MJ092340 Cholest-22-ene-3,6,8,15,16,26-hexol, 3,26-Di-O-?-D-xylopyranoside C37H62O14 730.413956 NA MeJP NA NA +PJ023481 SPLKMR C31H58N10O8S 730.416 NA PeJP NA NA +PJ023482 VLKWW C39H54N8O6 730.4167 NA PeJP NA NA +PJ023483 GSQKRR C28H54N14O9 730.4199 NA PeJP NA NA +PJ023484 VVKKEE C32H58N8O11 730.4225 NA PeJP NA NA +PJ023485 TLRRW C33H54N12O7 730.4239 NA PeJP NA NA +PJ023486 PLLLEF C37H58N6O9 730.4266 NA PeJP NA NA +PJ023487 GVLMRR C30H58N12O7S 730.4273 NA PeJP NA NA +PJ023488 LLLLEM C34H62N6O9S 730.4299 NA PeJP NA NA +PJ023489 SVLKER C31H58N10O10 730.4338 NA PeJP NA NA +PJ023490 PFRRR C32H54N14O6 730.4351 NA PeJP NA NA +PJ023491 ATLLKW C36H58N8O8 730.4378 NA PeJP NA NA +PJ023492 LMRRR C29H58N14O6S 730.4385 NA PeJP NA NA +PJ023493 VLLQKM C33H62N8O8S 730.4412 NA PeJP NA NA +MJ092341 Bacchalejin 1; 19-Acetoxy C45H62O8 730.444468 NA MeJP NA NA +PJ023494 SSLLRR C30H58N12O9 730.445 NA PeJP NA NA +PJ023495 AAKKKW C35H58N10O7 730.449 NA PeJP NA NA +MJ092342 Cholestane-3,6,8,15,24-pentol, 3-O-[2-O-Methyl-?-D-xylopyranoside], 24-O-?-L-arabinofuranoside C38H66O13 730.450342 NA MeJP NA NA +MJ092343 Cholestane-3,6,8,15,24-pentol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] C38H66O13 730.450342 NA MeJP NA NA +MJ092344 Cholestane-3,6,8,15,24-pentol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?5)-?-L-arabinofuranoside] C38H66O13 730.450342 NA MeJP NA NA +MJ092345 Cholestane-3,6,8,15,24-pentol, 24-O-[4-O-Methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] C38H66O13 730.450342 NA MeJP NA NA +MJ092346 Cholestane-3,6,8,15,24-pentol, 24-O-[?-D-Xylopyranosyl-(1?2)-3-O-methyl-?-L-arabinofuranoside] C38H66O13 730.450342 NA MeJP NA NA +MJ092347 Cholestane-3,6,8,15,24-pentol, 24-O-[4-O-Methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] C38H66O13 730.450342 NA MeJP NA NA +MJ092348 Cholestane-3,6,8,15,24-pentol, 24-O-[?-D-Xylopyranosyl-(1?2)-3-O-methyl-?-L-arabinofuranoside] C38H66O13 730.450342 NA MeJP NA NA +MJ092349 Cholestane-3,6,8,15,24-pentol, 3-O-(2-O-Methyl-?-D-xylopyranoside), 24-O-?-L-arabinofuranoside C38H66O13 730.450342 NA MeJP NA NA +PJ023496 ALLKMR C32H62N10O7S 730.4524 NA PeJP NA NA +PJ023497 GSKKRR C29H58N14O8 730.4562 NA PeJP NA NA +PJ023498 TLLKKE C33H62N8O10 730.4589 NA PeJP NA NA +PJ023499 PLLLLY C38H62N6O8 730.4629 NA PeJP NA NA +MJ092350 21,23-Epoxy-4,7,11-trihydroxy-3,4-secoapotirucalla-14,24-dien-3-oic acid, 7-(2R-Hydroxy-3-methyl-3E-pentenoyl), 11-(2R-hydroxy-3R-methylpentanoyl) C42H66O10 730.465598 NA MeJP NA NA +PJ023500 TTLLKR C32H62N10O9 730.4702 NA PeJP NA NA +PJ023501 PVLKKF C37H62N8O7 730.4742 NA PeJP NA NA +PJ023502 VLLKKM C34H66N8O7S 730.4776 NA PeJP NA NA +MJ092351 Mutadione A C46H66O7 730.480854 NA MeJP NA NA +MJ092352 Myxol; 2'-O-?-L-Quinovoside C46H66O7 730.480854 NA MeJP NA NA +MJ092353 Plectaniaxanthin, 1'-O-?-D-Glucopyranoside C46H66O7 730.480854 NA MeJP NA NA +MJ092354 Rhodopinol; 20-Aldehyde, 1-O-?-D-glucopyranoside C46H66O7 730.480854 NA MeJP NA NA +MJ092355 Saproxanthin; 1'-O-Glucoside C46H66O7 730.480854 NA MeJP NA NA +C15941 (3R,2'S)-Myxol 2'-alpha-L-fucoside C46H66O7 730.4809 NA KEGG NA NA +C16271 Rhodopinal glucoside C46H66O7 730.4809 NA KEGG NA NA +PJ023503 ATKKKR C31H62N12O8 730.4814 NA PeJP NA NA +PJ023504 LLLLLF C39H66N6O7 730.4993 NA PeJP NA NA +PJ023505 SLKKKK C33H66N10O8 730.5065 NA PeJP NA NA +MJ092356 1,2-Di-O-acylglycerols; Glycerol 1,2-dihexadecanoate, 3-O-?-D-Glucopyranoside C41H78O10 730.559498 NA MeJP NA NA +MJ092357 Manzamenone K C45H78O7 730.574754 NA MeJP NA NA +MetaCyc04082 ubiquinol-8 [ubiquinol(8);] C49H78O4 730.590011 NA metacyc NA NA +HMDB01060 Ubiquinol 8 C49H78O4 730.590027 NA HMDB2010 NA NA +HMDB01060 Ubiquinol C49H78O4 730.59003 http://www.hmdb.ca/metabolites/HMDB01060 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01060 Ubiquinol C49H78O4 730.59003 http://www.hmdb.ca/metabolites/HMDB01060 HMDB NA NA +HMDB01060 Ubiquinol C49H78O4 730.59003 http://www.hmdb.ca/metabolites/HMDB01060 PFEM_hmdb_metabocards_blood NA blood +HMDB01060 Ubiquinol C49H78O4 730.59003 HMDB01060 PFEM_hmdb_metabocards_official NA NA +HMDB12088 SM(d18:0/18:1(11Z)) C41H83N2O6P 730.598877 NA HMDB2010 NA NA +HMDB12089 SM(d18:0/18:1(9Z)) C41H83N2O6P 730.598877 NA HMDB2010 NA NA +HMDB07442 DG(20:2(11Z,14Z)/24:1(15Z)/0:0) C47H86O5 730.647522 NA HMDB2010 NA NA +HMDB07470 DG(20:3(5Z,8Z,11Z)/24:0/0:0) C47H86O5 730.647522 NA HMDB2010 NA NA +HMDB07499 DG(20:3(8Z,11Z,14Z)/24:0/0:0) C47H86O5 730.647522 NA HMDB2010 NA NA +HMDB07639 DG(22:1(13Z)/22:2(13Z,16Z)/0:0) C47H86O5 730.647522 NA HMDB2010 NA NA +HMDB07667 DG(22:2(13Z,16Z)/22:1(13Z)/0:0) C47H86O5 730.647522 NA HMDB2010 NA NA +HMDB07806 DG(24:0/20:3(5Z,8Z,11Z)/0:0) C47H86O5 730.647522 NA HMDB2010 NA NA +HMDB07807 DG(24:0/20:3(8Z,11Z,14Z)/0:0) C47H86O5 730.647522 NA HMDB2010 NA NA +HMDB07834 DG(24:1(15Z)/20:2(11Z,14Z)/0:0) C47H86O5 730.647522 NA HMDB2010 NA NA +MJ092358 Amphiasterin A3 C49H94O3 730.720296 NA MeJP NA NA +HMDB03036 Triiodothyronine sulfate C15H12I3NO7S 730.746887 NA HMDB2010 NA NA +HMDB03036 Triiodothyronine sulfate C15H12I3NO7S 730.74689 http://www.hmdb.ca/metabolites/HMDB03036 HMDB NA NA +HMDB03036 Triiodothyronine sulfate C15H12I3NO7S 730.74689 HMDB03036 PFEM_hmdb_metabocards_official NA NA +MJ092359 Ioseric acid C15H16I3N3O7 730.81223 NA MeJP NA NA +PJ023506 GCCCCDE C23H37N7O12S4 731.1383 NA PeJP NA NA +PJ023507 CCCCDW C27H37N7O9S4 731.1536 NA PeJP NA NA +PJ023508 SSCCCDD C23H37N7O14S3 731.1561 NA PeJP NA NA +PJ023509 PTCCCCC C24H41N7O9S5 731.157 NA PeJP NA NA +PJ023510 GSCCCEM C24H41N7O11S4 731.1747 NA PeJP NA NA +PJ023511 CCNDDY C27H37N7O13S2 731.1891 NA PeJP NA NA +PJ023512 SCCCMW C28H41N7O8S4 731.19 NA PeJP NA NA +PJ023513 SSSCCDM C24H41N7O13S3 731.1925 NA PeJP NA NA +PJ023514 CCNMMM C25H45N7O8S5 731.1933 NA PeJP NA NA +PJ023515 GGCCMMM C25H45N7O8S5 731.1934 NA PeJP NA NA +PJ023516 GSPCCCY C28H41N7O10S3 731.2077 NA PeJP NA NA +PJ023517 GSTCCMM C25H45N7O10S4 731.2111 NA PeJP NA NA +PJ023518 CNDDEH C26H37N9O14S 731.2181 NA PeJP NA NA +PJ023519 ACCCFW C32H41N7O7S3 731.223 NA PeJP NA NA +PJ023520 SCNDMY C28H41N7O12S2 731.2255 NA PeJP NA NA +PJ023521 SSSSCMM C25H45N7O12S3 731.2289 NA PeJP NA NA +PJ023522 GCDDHW C30H37N9O11S 731.2334 NA PeJP NA NA +PJ023523 GSSDDDH C26H37N9O16 731.2359 NA PeJP NA NA +PJ023524 GSPCCEH C27H41N9O11S2 731.2367 NA PeJP NA NA +PJ023525 GTCCYW C32H41N7O9S2 731.2407 NA PeJP NA NA +PJ023526 GSSSCEY C28H41N7O14S 731.2432 NA PeJP NA NA +PJ023527 GPPCDDE C28H41N7O14S 731.2433 NA PeJP NA NA +PJ023528 GCQMMY C29H45N7O9S3 731.2441 NA PeJP NA NA +PJ023529 CNNNMH C26H41N11O10S2 731.248 NA PeJP NA NA +PJ023530 SPCCHW C31H41N9O8S2 731.252 NA PeJP NA NA +PJ023531 SNDEMH C27H41N9O13S 731.2545 NA PeJP NA NA +PJ023532 GCCMRY C28H45N9O8S3 731.2554 NA PeJP NA NA +PJ023533 SSSCYW C32H41N7O11S 731.2585 NA PeJP NA NA +PJ023534 SSSSSDY C28H41N7O16 731.261 NA PeJP NA NA +PJ023535 SSNMMY C29H45N7O11S2 731.2619 NA PeJP NA NA +PJ023536 EEEYY C33H41N5O14 731.265 NA PeJP NA NA +PJ023537 SCDDHR C26H41N11O12S 731.2657 NA PeJP NA NA +PJ023538 GGGGGGGGGPC C26H41N11O12S 731.2658 NA PeJP NA NA +PJ023539 GSDMHW C31H41N9O10S 731.2697 NA PeJP NA NA +PJ023540 GSSSEEH C27H41N9O15 731.2722 NA PeJP NA NA +PJ023541 PDDDDR C27H41N9O15 731.2723 NA PeJP NA NA +PJ023542 STCCRY C28H45N9O10S2 731.2731 NA PeJP NA NA +PJ023543 CNFYW C36H41N7O8S 731.2737 NA PeJP NA NA +PJ023544 GGCFYW C36H41N7O8S 731.2738 NA PeJP NA NA +PJ023545 GPDEEW C32H41N7O13 731.2763 NA PeJP NA NA +PJ023546 GCQMFF C33H45N7O8S2 731.2771 NA PeJP NA NA +PJ023547 GSSSTMY C29H45N7O13S 731.2796 NA PeJP NA NA +PJ023548 GCKMMY C30H49N7O8S3 731.2805 NA PeJP NA NA +PJ023549 SSSSNNH C26H41N11O14 731.2835 NA PeJP NA NA +PJ023550 ACDMHR C27H45N11O9S2 731.2843 NA PeJP NA NA +PJ023551 GCEMHR C27H45N11O9S2 731.2844 NA PeJP NA NA +PJ023552 TCHWW C35H41N9O7S 731.285 NA PeJP NA NA +PJ023553 SSSEHW C31H41N9O12 731.2875 NA PeJP NA NA +PJ023554 QMMHW C32H45N9O7S2 731.2884 NA PeJP NA NA +PJ023555 STQEMH C28H45N9O12S 731.2909 NA PeJP NA NA +PJ023556 PDEWW C36H41N7O10 731.2915 NA PeJP NA NA +PJ023557 GNMHHH C29H41N13O8S 731.2922 NA PeJP NA NA +MJ092360 17-Hydroxydihydromyrsinol; 14-(3-Pyridinecarbonyl), 7-benzoyl, 3-propanoyl, 5,15-di-Ac C40H45NO12 731.294175 NA MeJP NA NA +MJ092361 19-Hydroxyingol; 8-(3-Pyridinecarbonyl), 7-(phenylacetyl), 3,12,19-tri-Ac C40H45NO12 731.294175 NA MeJP NA NA +PJ023558 SPPDMW C33H45N7O10S 731.2949 NA PeJP NA NA +PJ023559 SSSSTTY C29H45N7O15 731.2974 NA PeJP NA NA +PJ023560 STCKMY C30H49N7O10S2 731.2982 NA PeJP NA NA +PJ023561 PPQEMM C30H49N7O10S2 731.2983 NA PeJP NA NA +PJ023562 GNNNQW C30H41N11O11 731.2987 NA PeJP NA NA +PJ023563 GGGGGGGQW C30H41N11O11 731.2988 NA PeJP NA NA +PJ023564 CMHRW C31H45N11O6S2 731.2996 NA PeJP NA NA +PJ023565 SSDMHR C27H45N11O11S 731.3021 NA PeJP NA NA +PJ023566 DQHFW C35H41N9O9 731.3027 NA PeJP NA NA +PJ023567 NEHFW C35H41N9O9 731.3028 NA PeJP NA NA +PJ023568 GTTMHW C32H45N9O9S 731.3061 NA PeJP NA NA +MJ092362 Antibiotic SF 2111A C28H45N9O14 731.308597 NA MeJP NA NA +PJ023569 SPDEER C28H45N9O14 731.3086 NA PeJP NA NA +PJ023570 GGGGGGLEE C28H45N9O14 731.3087 NA PeJP NA NA +PJ023571 PPCEMR C29H49N9O9S2 731.3095 NA PeJP NA NA +PJ023572 SSQHHH C29H41N13O10 731.31 NA PeJP NA NA +PJ023573 GSDKYY C33H45N7O12 731.3126 NA PeJP NA NA +PJ023574 APTEEW C33H45N7O12 731.3127 NA PeJP NA NA +PJ023575 APPMMW C34H49N7O7S2 731.3135 NA PeJP NA NA +PJ023576 PVQEEM C30H49N7O12S 731.316 NA PeJP NA NA +PJ023577 GPCNRW C31H45N11O8S 731.3174 NA PeJP NA NA +PJ023578 GHFWW C39H41N9O6 731.318 NA PeJP NA NA +PJ023579 SNQQQQ C27H45N11O13 731.3198 NA PeJP NA NA +PJ023580 GNQEER C27H45N11O13 731.3199 NA PeJP NA NA +PJ023581 GTMMHR C28H49N11O8S2 731.3207 NA PeJP NA NA +MJ092363 Biphenomycin C C32H45N9O11 731.323853 NA MeJP NA NA +PJ023582 STTTHW C32H45N9O11 731.3239 NA PeJP NA NA +PJ023583 KMMHW C33H49N9O6S2 731.3247 NA PeJP NA NA +PJ023584 STKEMH C29H49N9O11S 731.3272 NA PeJP NA NA +PJ023585 APEEMR C29H49N9O11S 731.3273 NA PeJP NA NA +PJ023586 GPPEFW C37H45N7O9 731.3279 NA PeJP NA NA +PJ023587 ACKHHH C30H45N13O7S 731.3286 NA PeJP NA NA +MJ092364 Microginin T1 C36H50ClN5O9 731.329705 NA MeJP NA NA +PJ023588 GNDDRR C26H45N13O12 731.3311 NA PeJP NA NA +PJ023589 GPLEMW C34H49N7O9S 731.3313 NA PeJP NA NA +PJ023590 PTKEEE C30H49N7O14 731.3338 NA PeJP NA NA +PJ023591 ASPPVMM C31H53N7O9S2 731.3346 NA PeJP NA NA +PJ023592 PPKEMM C31H53N7O9S2 731.3347 NA PeJP NA NA +PJ023593 NQERW C31H45N11O10 731.3351 NA PeJP NA NA +PJ023594 STTMHR C28H49N11O10S 731.3385 NA PeJP NA NA +PJ023595 VNQWW C36H45N9O8 731.3391 NA PeJP NA NA +MJ092365 Cyclotheonamide A C36H45N9O8 731.339109 NA MeJP NA NA +MJ092366 Pseudotheonamide A1 C36H45N9O8 731.339109 NA MeJP NA NA +MJ092367 Pseudotheonamide C C36H45N9O8 731.339109 NA MeJP NA NA +PJ023596 GGGGLWW C36H45N9O8 731.3392 NA PeJP NA NA +HMDB06745 Digalactosyl-Ceramidesulfate C31H57NO16S 731.33978 http://www.hmdb.ca/metabolites/HMDB06745 HMDB NA NA +HMDB06745 Digalactosyl-Ceramidesulfate C31H57NO16S 731.33978 HMDB06745 PFEM_hmdb_metabocards_official NA NA +PJ023597 GPNKMW C33H49N9O8S 731.3425 NA PeJP NA NA +PJ023598 PPFWW C41H45N7O6 731.3432 NA PeJP NA NA +PJ023599 GLEEER C29H49N9O13 731.345 NA PeJP NA NA +PJ023600 PPTMMR C30H53N9O8S2 731.3459 NA PeJP NA NA +PJ023601 SSKHHH C30H45N13O9 731.3463 NA PeJP NA NA +PJ023602 GPEHHR C30H45N13O9 731.3464 NA PeJP NA NA +PJ023603 PLMWW C38H49N7O6S 731.3465 NA PeJP NA NA +PJ023604 GVLEEW C34H49N7O11 731.349 NA PeJP NA NA +PJ023605 SPCNRR C27H49N13O9S 731.3497 NA PeJP NA NA +PJ023606 GQRWW C35H45N11O7 731.3504 NA PeJP NA NA +PJ023607 PVKEEM C31H53N7O11S 731.3524 NA PeJP NA NA +PJ023608 AAMHFR C32H49N11O7S 731.3538 NA PeJP NA NA +PJ023609 GNKEER C28H49N11O12 731.3562 NA PeJP NA NA +PJ023610 GGGKEER C28H49N11O12 731.3563 NA PeJP NA NA +3645 stimulating g-interferon production peptide RPQQPYPQPQPQ 731.357 MH2+ Inhouse_peptide NA peptide +PJ023611 LEERW C33H49N9O10 731.3603 NA PeJP NA NA +PJ023612 PHHRW C34H45N13O6 731.3616 NA PeJP NA NA +PJ023613 SPLEMR C30H53N9O10S 731.3636 NA PeJP NA NA +PJ023614 GGPDKKM C30H53N9O10S 731.3637 NA PeJP NA NA +PJ023615 VLEWW C38H49N7O8 731.3643 NA PeJP NA NA +PJ023616 GSQERR C27H49N13O11 731.3675 NA PeJP NA NA +PJ023617 KKMYY C35H53N7O8S 731.3676 NA PeJP NA NA +PJ023618 SPVLMW C35H53N7O8S 731.3677 NA PeJP NA NA +PJ023619 VVKEEE C31H53N7O13 731.3702 NA PeJP NA NA +PJ023620 PLLQMM C32H57N7O8S2 731.371 NA PeJP NA NA +PJ023621 NKERW C32H49N11O9 731.3715 NA PeJP NA NA +PJ023622 SPNKMR C29H53N11O9S 731.3749 NA PeJP NA NA +PJ023623 VNKWW C37H49N9O7 731.3755 NA PeJP NA NA +PJ023624 APCKKW C34H53N9O7S 731.3789 NA PeJP NA NA +PJ023625 SVLEER C30H53N9O12 731.3814 NA PeJP NA NA +PJ023626 PVVMMR C31H57N9O7S2 731.3823 NA PeJP NA NA +PJ023627 SQRRW C31H49N13O8 731.3827 NA PeJP NA NA +PJ023628 ATLLEW C35H53N7O10 731.3854 NA PeJP NA NA +PJ023629 AAQMRR C28H53N13O8S 731.3861 NA PeJP NA NA +PJ023630 GKRWW C36H49N11O6 731.3868 NA PeJP NA NA +PJ023631 VLLQEM C32H57N7O10S 731.3888 NA PeJP NA NA +PJ023632 GDKKER C29H53N11O11 731.3926 NA PeJP NA NA +PJ023633 GGGGGATKK C29H53N11O11 731.3927 NA PeJP NA NA +PJ023634 SSPKKW C34H53N9O9 731.3966 NA PeJP NA NA +PJ023635 AAKKEW C34H53N9O9 731.3967 NA PeJP NA NA +PJ023636 NMRRR C27H53N15O7S 731.3973 NA PeJP NA NA +PJ023637 GGMRRR C27H53N15O7S 731.3974 NA PeJP NA NA +PJ023638 ALLEMR C31H57N9O9S 731.4 NA PeJP NA NA +PJ023639 GPLLFW C39H53N7O7 731.4007 NA PeJP NA NA +PJ023640 GSKERR C28H53N13O10 731.4039 NA PeJP NA NA +PJ023641 GLLLMW C36H57N7O7S 731.4041 NA PeJP NA NA +MJ092368 Tabernaelegantinine C C44H53N5O5 731.404669 NA MeJP NA NA +MJ092369 Tabernaelegantinine D C44H53N5O5 731.404669 NA MeJP NA NA +PJ023642 GSTLLLE C32H57N7O12 731.4065 NA PeJP NA NA +PJ023643 TLLKEE C32H57N7O12 731.4066 NA PeJP NA NA +PJ023644 PLLKMM C33H61N7O7S2 731.4074 NA PeJP NA NA +PJ023645 DKKRW C33H53N11O8 731.4079 NA PeJP NA NA +PJ023646 GLQKMR C30H57N11O8S 731.4113 NA PeJP NA NA +PJ023647 GSTRRR C27H53N15O9 731.4151 NA PeJP NA NA +PJ023648 TTLLER C31H57N9O11 731.4178 NA PeJP NA NA +PJ023649 SKRRW C32H53N13O7 731.4191 NA PeJP NA NA +PJ023650 STLLLW C36H57N7O9 731.4218 NA PeJP NA NA +PJ023651 AAKMRR C29H57N13O7S 731.4225 NA PeJP NA NA +PJ023652 VLLKEM C33H61N7O9S 731.4252 NA PeJP NA NA +PJ023653 ATKKER C30H57N11O10 731.429 NA PeJP NA NA +PJ023654 GTLKKW C35H57N9O8 731.433 NA PeJP NA NA +PJ023655 GGPVKKF C35H57N9O8 731.4331 NA PeJP NA NA +PJ023656 SLLLMR C32H61N9O8S 731.4364 NA PeJP NA NA +PJ023657 ATTKRR C29H57N13O9 731.4402 NA PeJP NA NA +PJ023658 SSVKRR C29H57N13O9 731.4403 NA PeJP NA NA +PJ023659 SSSLLLL C33H61N7O11 731.4429 NA PeJP NA NA +PJ023660 GPKKFR C34H57N11O7 731.4443 NA PeJP NA NA +MJ092370 Erythromycin; 11-Ketone C37H65NO13 731.445591 NA MeJP NA NA +MJ092371 Serratiomycin C38H61N5O9 731.446928 NA MeJP NA NA +MJ092372 Serrawettin W2 C38H61N5O9 731.446928 NA MeJP NA NA +PJ023661 GLKKMR C31H61N11O7S 731.4476 NA PeJP NA NA +PJ023662 VVCKKR C31H61N11O7S 731.4477 NA PeJP NA NA +HMDB09195 PE(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) C41H66NO8P 731.452576 NA HMDB2010 NA NA +PJ023663 SLKKKE C32H61N9O10 731.4542 NA PeJP NA NA +PJ023664 PVLLKY C37H61N7O8 731.4582 NA PeJP NA NA +C11054 Spinosyn A C41H65NO10 731.4608 NA KEGG NA NA +MJ092373 Spinosyn; Spinosyn A C41H65NO10 731.460847 NA MeJP NA NA +MJ092374 Spinosyn; Spinosyn D, 2'-O-De-Me C41H65NO10 731.460847 NA MeJP NA NA +MJ092375 Spinosyn; Spinosyn D, 3'-O-De-Me C41H65NO10 731.460847 NA MeJP NA NA +MJ092376 Spinosyn; Spinosyn D, 4'-O-De-Me C41H65NO10 731.460847 NA MeJP NA NA +PJ023665 STLKKR C31H61N11O9 731.4654 NA PeJP NA NA +PJ023666 ALLLFR C36H61N9O7 731.4694 NA PeJP NA NA +PJ023667 VVKKKM C33H65N9O7S 731.4728 NA PeJP NA NA +HMDB12336 PS(14:0/18:2(9Z,12Z)) C38H70NO10P 731.473755 NA HMDB2010 NA NA +HMDB12346 PS(14:1(9Z)/18:1(9Z)) C38H70NO10P 731.473755 NA HMDB2010 NA NA +HMDB12366 PS(16:1(9Z)/16:1(9Z)) C38H70NO10P 731.473755 NA HMDB2010 NA NA +HMDB12386 PS(18:1(9Z)/14:1(9Z)) C38H70NO10P 731.473755 NA HMDB2010 NA NA +HMDB12396 PS(18:2(9Z,12Z)/14:0) C38H70NO10P 731.473755 NA HMDB2010 NA NA +MJ092377 Microcolin A; Deoxy C39H65N5O8 731.483314 NA MeJP NA NA +PJ023668 VLLLKF C38H65N7O7 731.4946 NA PeJP NA NA +EUR929 PC 32:1 monoisotopic mass C40H78NO8P 731.546507 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR929 PC 32:1 monoisotopic mass C40H78NO8P 731.546507 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR929 PC 32:1 monoisotopic mass C40H78NO8P 731.546507 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR929 PC 32:1 monoisotopic mass C40H78NO8P 731.546507 masses lipides attendues Inhousejuil11 NA NA +HMDB07872 PC(14:0/18:1(11Z)) C40H78NO8P 731.546509 NA HMDB2010 NA NA +HMDB07873 PC(14:0/18:1(9Z)) C40H78NO8P 731.546509 NA HMDB2010 NA NA +HMDB07904 PC(14:1(9Z)/18:0) C40H78NO8P 731.546509 NA HMDB2010 NA NA +HMDB07969 PC(16:0/16:1(9Z)) C40H78NO8P 731.546509 NA HMDB2010 NA NA +HMDB08001 PC(16:1(9Z)/16:0) C40H78NO8P 731.546509 NA HMDB2010 NA NA +HMDB08032 PC(18:0/14:1(9Z)) C40H78NO8P 731.546509 NA HMDB2010 NA NA +HMDB08064 PC(18:1(11Z)/14:0) C40H78NO8P 731.546509 NA HMDB2010 NA NA +HMDB08097 PC(18:1(9Z)/14:0) C40H78NO8P 731.546509 NA HMDB2010 NA NA +HMDB08900 PE(15:0/20:1(11Z)) C40H78NO8P 731.546509 NA HMDB2010 NA NA +HMDB09252 PE(20:1(11Z)/15:0) C40H78NO8P 731.546509 NA HMDB2010 NA NA +HMDB10569 PE-NMe(16:0/18:1(9Z)) C40H78NO8P 731.546509 NA HMDB2010 NA NA +MJ092378 2-Amino-8-octadecene-1,3,4-triol, N-(2-Hydroxyhexadecanoyl), 1-O-?-D-glucopyranoside C40H77NO10 731.554747 NA MeJP NA NA +MJ092379 2-Amino-8-octadecene-1,3,4-triol, N-(2R-Hydroxyhexadecanoyl), 1-O-?-D-glucopyranoside C40H77NO10 731.554747 NA MeJP NA NA +MJ092380 29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-Deoxy, 35-(tryptophanylamino) C46H73N3O4 731.560107 NA MeJP NA NA +HMDB07962 PC(15:0/P-18:0) C41H82NO7P 731.582886 NA HMDB2010 NA NA +HMDB09016 PE(18:0/P-18:0) C41H82NO7P 731.582886 NA HMDB2010 NA NA +HMDB09246 PE(20:0/P-16:0) C41H82NO7P 731.582886 NA HMDB2010 NA NA +HMDB11238 PC(P-18:0/15:0) C41H82NO7P 731.582886 NA HMDB2010 NA NA +HMDB11347 PE(P-16:0/20:0) C41H82NO7P 731.582886 NA HMDB2010 NA NA +HMDB11373 PE(dm18:0/18:0) C41H82NO7P 731.582886 NA HMDB2010 NA NA +HMDB01348 SM(d18:1/18:0) C41H84N2O6P 731.606689 NA HMDB2010 NA NA +HMDB01348 Sphingomyelin SM(d18:1/18:0) C41H84N2O6P 731.60669 http://www.hmdb.ca/metabolites/HMDB01348 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01348 Sphingomyelin SM(d18:1/18:0) C41H84N2O6P 731.60669 http://www.hmdb.ca/metabolites/HMDB01348 HMDB NA NA +HMDB01348 Sphingomyelin SM(d18:1/18:0) C41H84N2O6P 731.60669 http://www.hmdb.ca/metabolites/HMDB01348 PFEM_hmdb_metabocards_blood NA blood +HMDB01348 Sphingomyelin SM(d18:1/18:0) C41H84N2O6P 731.60669 HMDB01348 PFEM_hmdb_metabocards_official NA NA +EUR1074 SM(d18:1/18:0) monoisotopic mass C41H84N2O6P 731.606701 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1074 SM(d18:1/18:0) monoisotopic mass C41H84N2O6P 731.606701 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1074 SM(d18:1/18:0) monoisotopic mass C41H84N2O6P 731.606701 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1074 SM(d18:1/18:0) monoisotopic mass C41H84N2O6P 731.606701 masses lipides attendues Inhousejuil11 NA NA +FL5FCCGSS001 Rhamnetin 3'-glucuronide-3,5,4'-trisulfate C22H20O22S3 731.96083 55196-43-5 knapsack NA NA +MJ092381 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3'-O-?-D-Glucuronopyranoside, 3,4',5-tri-O-sulfate C22H20O22S3 731.960834 NA MeJP NA NA +MJ092382 Oolongtheanin C36H28O17 732.132649 NA MeJP NA NA +PJ023669 GCCCCNM C23H40N8O9S5 732.1522 NA PeJP NA NA +PJ023670 SSCCCCQ C23H40N8O11S4 732.17 NA PeJP NA NA +PJ023671 CCDDDY C27H36N6O14S2 732.1731 NA PeJP NA NA +PJ023672 CCDMMM C25H44N6O9S5 732.1774 NA PeJP NA NA +PJ023673 GSSSSCCC C23H40N8O13S3 732.1877 NA PeJP NA NA +PJ023674 ACCCCCK C24H44N8O8S5 732.1886 NA PeJP NA NA +PJ023675 CCDDMF C28H40N6O11S3 732.1918 NA PeJP NA NA +PJ023676 CCCMHH C26H40N10O7S4 732.1965 NA PeJP NA NA +PJ023677 CDDDEH C26H36N8O15S 732.2021 NA PeJP NA NA +PJ023678 CCCNQY C27H40N8O10S3 732.203 NA PeJP NA NA +MJ092383 Julichrome Q1.3 C38H36O15 732.20542 NA MeJP NA NA +PJ023679 SSCCCCK C24H44N8O10S4 732.2063 NA PeJP NA NA +PJ023680 SCDDMY C28H40N6O13S2 732.2095 NA PeJP NA NA +PJ023681 SCMMMM C26H48N6O8S5 732.2137 NA PeJP NA NA +PJ023682 GPCCCNH C26H40N10O9S3 732.2142 NA PeJP NA NA +MJ092384 Aeruginosin 98A; 3'-Dechloro, 3'-bromo C29H45BrN6O9S 732.21521 NA MeJP NA NA +MJ092385 Aeruginosin 98C C29H45BrN6O9S 732.21521 NA MeJP NA NA +PJ023683 GSSCCNY C27H40N8O12S2 732.2207 NA PeJP NA NA +PJ023684 GCEMMY C29H44N6O10S3 732.2281 NA PeJP NA NA +PJ023685 CNNDMH C26H40N10O11S2 732.232 NA PeJP NA NA +PJ023686 SDDEMH C27H40N8O14S 732.2385 NA PeJP NA NA +PJ023687 CCCNKY C28H44N8O9S3 732.2394 NA PeJP NA NA +PJ023688 GCDEFY C32H40N6O12S 732.2425 NA PeJP NA NA +PJ023689 CMMYW C33H44N6O7S3 732.2434 NA PeJP NA NA +PJ023690 PDDEEE C28H40N6O17 732.245 NA PeJP NA NA +PJ023691 SSDMMY C29H44N6O12S2 732.2459 NA PeJP NA NA +PJ023692 ACMMMF C30H48N6O7S4 732.2468 NA PeJP NA NA +PJ023693 GCCQHW C30H40N10O8S2 732.2472 NA PeJP NA NA +MJ092386 Wahlenoside B; Me ester C32H44O19 732.247679 NA MeJP NA NA +PJ023694 GSSCNEH C26H40N10O13S 732.2497 NA PeJP NA NA +PJ023695 GGGGGPCND C26H40N10O13S 732.2498 NA PeJP NA NA +MJ092387 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 2,8-Bis(3-pyridinecarbonyl), 9-benzoyl, 1,14-di-Ac C38H40N2O13 732.253039 NA MeJP NA NA +MJ092388 Lyaloside; 6'-(4-Hydroxy-3,5-dimethoxycinnamoyl)(E-) C38H40N2O13 732.253039 NA MeJP NA NA +PJ023696 GCNNYY C31H40N8O11S 732.2537 NA PeJP NA NA +PJ023697 GGGCNYY C31H40N8O11S 732.2538 NA PeJP NA NA +PJ023698 GSPNDDE C27H40N8O16 732.2563 NA PeJP NA NA +PJ023699 GEEMMH C28H44N8O11S2 732.2571 NA PeJP NA NA +PJ023700 CDFYW C36H40N6O9S 732.2578 NA PeJP NA NA +PJ023701 PCCHHH C29H40N12O7S2 732.2585 NA PeJP NA NA +PJ023702 GSDEYY C32H40N6O14 732.2603 NA PeJP NA NA +PJ023703 GPCMYY C33H44N6O9S2 732.2611 NA PeJP NA NA +PJ023704 GCEMFF C33H44N6O9S2 732.2612 NA PeJP NA NA +MJ092389 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-[4-hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] C36H44O16 732.262935 NA MeJP NA NA +PJ023705 GTMMMY C30H48N6O9S3 732.2645 NA PeJP NA NA +PJ023706 SSCNHW C30H40N10O10S 732.265 NA PeJP NA NA +PJ023707 SSSSNDH C26H40N10O15 732.2675 NA PeJP NA NA +MJ092390 8-Oxopseudopalmatine; 13,13'-Dimer C42H40N2O10 732.268295 NA MeJP NA NA +PJ023708 SCQQMH C27H44N10O10S2 732.2683 NA PeJP NA NA +PJ023709 SNNMMH C27H44N10O10S2 732.2684 NA PeJP NA NA +PJ023710 SPNDDW C31H40N8O13 732.2715 NA PeJP NA NA +PJ023711 EMMHW C32H44N8O8S2 732.2724 NA PeJP NA NA +PJ023712 STEEMH C28H44N8O13S 732.2749 NA PeJP NA NA +PJ023713 SDYYW C36H40N6O11 732.2755 NA PeJP NA NA +PJ023714 SPMMMH C29H48N8O8S3 732.2757 NA PeJP NA NA +PJ023715 GDMHHH C29H40N12O9S 732.2762 NA PeJP NA NA +PJ023716 CMFFW C37H44N6O6S2 732.2764 NA PeJP NA NA +MJ092391 2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 5,7-Dibenzoyl, 3,8,15-tri-Ac C40H44O13 732.278191 NA MeJP NA NA +MJ092392 Arctignan D C40H44O13 732.278191 NA MeJP NA NA +MJ092393 Arctignan E C40H44O13 732.278191 NA MeJP NA NA +MJ092394 Arctignan G C40H44O13 732.278191 NA MeJP NA NA +MJ092395 Shizukaol H; 3''-Deoxy C40H44O13 732.278191 NA MeJP NA NA +PJ023717 GSNNNNN C25H40N12O14 732.2787 NA PeJP NA NA +PJ023718 GGGGGGGGGSN C25H40N12O14 732.2788 NA PeJP NA NA +MJ092396 Aeruginosin 102A C33H44N6O11S 732.278876 NA MeJP NA NA +PJ023719 QEMYY C33H44N6O11S 732.2789 NA PeJP NA NA +PJ023720 SCCQHR C26H44N12O9S2 732.2796 NA PeJP NA NA +PJ023721 PTEEEE C29H44N6O16 732.2814 NA PeJP NA NA +PJ023722 STTMMY C30H48N6O11S2 732.2823 NA PeJP NA NA +PJ023723 GNNNEW C30H40N10O12 732.2827 NA PeJP NA NA +PJ023724 GGGNNEW C30H40N10O12 732.2828 NA PeJP NA NA +PJ023725 GCCKHW C31H44N10O7S2 732.2836 NA PeJP NA NA +MJ092397 3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] C33H48O18 732.284064 NA MeJP NA NA +MJ092398 Jaspofoliamoside A; 6'',7''-Didehydro(E-) C33H48O18 732.284064 NA MeJP NA NA +MJ092399 Picconioside I C33H48O18 732.284064 NA MeJP NA NA +PJ023726 PCNDER C27H44N10O12S 732.2861 NA PeJP NA NA +PJ023727 DEHFW C35H40N8O10 732.2868 NA PeJP NA NA +PJ023728 GPNEMW C32H44N8O10S 732.2901 NA PeJP NA NA +PJ023729 GGPVCDW C32H44N8O10S 732.2902 NA PeJP NA NA +PJ023730 AQQEEE C28H44N8O15 732.2926 NA PeJP NA NA +PJ023731 GGVNEEE C28H44N8O15 732.2927 NA PeJP NA NA +PJ023732 SVEMMH C29H48N8O10S2 732.2935 NA PeJP NA NA +PJ023733 SSEHHH C29H40N12O11 732.294 NA PeJP NA NA +PJ023734 AMYYW C37H44N6O8S 732.2941 NA PeJP NA NA +PJ023735 GPCFFY C37H44N6O8S 732.2942 NA PeJP NA NA +PJ023736 GTTEYY C33H44N6O13 732.2967 NA PeJP NA NA +PJ023737 GSSSCHR C26H44N12O11S 732.2973 NA PeJP NA NA +PJ023738 AAMMFY C34H48N6O8S2 732.2975 NA PeJP NA NA +PJ023739 NNNWW C34H40N10O9 732.298 NA PeJP NA NA +MJ092400 Meliacarpinin; 11-Methoxy, 1-tigloyl, 3,20-di-Ac C37H48O15 732.29932 NA MeJP NA NA +MJ092401 Meliacarpinin; 11-Methoxy, 3-tigloyl, 1,20-di-Ac C37H48O15 732.29932 NA MeJP NA NA +MJ092402 Prieurianin; 12-Deacyl, 12-(3-methylbutanoyl) C37H48O15 732.29932 NA MeJP NA NA +PJ023740 PVEEEM C30H48N6O13S 732.3 NA PeJP NA NA +PJ023741 GPCDRW C31H44N10O9S 732.3014 NA PeJP NA NA +PJ023742 GNEEER C27H44N10O14 732.3039 NA PeJP NA NA +PJ023743 GPPTCCR C28H48N10O9S2 732.3047 NA PeJP NA NA +PJ023744 GGTCKMH C28H48N10O9S2 732.3048 NA PeJP NA NA +PJ023745 PNMWW C36H44N8O7S 732.3054 NA PeJP NA NA +PJ023746 AAQEEW C32H44N8O12 732.3079 NA PeJP NA NA +PJ023747 PPCCKW C33H48N8O7S2 732.3088 NA PeJP NA NA +PJ023748 PNDKEM C29H48N8O12S 732.3113 NA PeJP NA NA +MJ092403 Amonabactin T 732 C37H44N6O10 732.311891 NA MeJP NA NA +PJ023749 TTYYW C37H44N6O10 732.3119 NA PeJP NA NA +PJ023750 ALMMMH C30H52N8O7S3 732.3121 NA PeJP NA NA +PJ023751 GCNHFR C30H44N12O8S 732.3126 NA PeJP NA NA +PJ023752 GDDDRR C26H44N12O13 732.3151 NA PeJP NA NA +PJ023753 KEMYY C34H48N6O10S 732.3153 NA PeJP NA NA +PJ023754 SCCKHR C27H48N12O8S2 732.316 NA PeJP NA NA +PJ023755 VVEEEE C30H48N6O15 732.3178 NA PeJP NA NA +PJ023756 NEERW C31H44N10O11 732.3191 NA PeJP NA NA +PJ023757 GGGGGDKW C31H44N10O11 732.3192 NA PeJP NA NA +PJ023758 SPNEMR C28H48N10O11S 732.3225 NA PeJP NA NA +PJ023759 VNEWW C36H44N8O9 732.3231 NA PeJP NA NA +MJ092404 Antibiotic WIN 68577 C36H44N8O9 732.323125 NA MeJP NA NA +PJ023760 GGVEWW C36H44N8O9 732.3232 NA PeJP NA NA +PJ023761 GPDKMW C33H48N8O9S 732.3265 NA PeJP NA NA +PJ023762 AFFYW C41H44N6O7 732.3272 NA PeJP NA NA +PJ023763 AQKEEE C29H48N8O14 732.329 NA PeJP NA NA +MJ092405 4-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Benzyl glycoside, tetrabenzyl C45H48O9 732.329833 NA MeJP NA NA +PJ023764 TTLMMH C30H52N8O9S2 732.3299 NA PeJP NA NA +PJ023765 GSNNRW C30H44N12O10 732.3304 NA PeJP NA NA +PJ023766 AAMFFF C38H48N6O7S 732.3305 NA PeJP NA NA +PJ023767 GCLFFF C38H48N6O7S 732.3306 NA PeJP NA NA +PJ023768 SSTLYY C34H48N6O12 732.333 NA PeJP NA NA +PJ023769 PPVEEY C34H48N6O12 732.3331 NA PeJP NA NA +PJ023770 SPCDRR C27H48N12O10S 732.3337 NA PeJP NA NA +PJ023771 GGGGAQMR C27H48N12O10S 732.3338 NA PeJP NA NA +PJ023772 GERWW C35H44N10O8 732.3344 NA PeJP NA NA +PJ023773 GSPMRW C32H48N10O8S 732.3378 NA PeJP NA NA +PJ023774 GVWWW C40H44N8O6 732.3384 NA PeJP NA NA +PJ023775 SSSSTKH C28H48N10O13 732.3402 NA PeJP NA NA +PJ023776 GDKEER C28H48N10O13 732.3403 NA PeJP NA NA +PJ023777 APQMMR C29H52N10O8S2 732.3411 NA PeJP NA NA +PJ023778 LMHFW C37H48N8O6S 732.3418 NA PeJP NA NA +PJ023779 AAKEEW C33H48N8O11 732.3443 NA PeJP NA NA +PJ023780 GCNQRR C26H48N14O9S 732.345 NA PeJP NA NA +PJ023781 GVHHHF C34H44N12O7 732.3456 NA PeJP NA NA +PJ023782 SSSPPKM C30H52N8O11S 732.3476 NA PeJP NA NA +PJ023783 PTQKEM C30H52N8O11S 732.3477 NA PeJP NA NA +PJ023784 PKYYY C38H48N6O9 732.3483 NA PeJP NA NA +PJ023785 RWWW C39H44N10O5 732.3496 NA PeJP NA NA +MJ092406 Manassantin A C42H52O11 732.350962 NA MeJP NA NA +PJ023786 GSEERR C27H48N12O12 732.3515 NA PeJP NA NA +PJ023787 PPLEMF C35H52N6O9S 732.3517 NA PeJP NA NA +PJ023788 APCMRR C28H52N12O7S2 732.3524 NA PeJP NA NA +PJ023789 TLLEEE C31H52N6O14 732.3542 NA PeJP NA NA +PJ023790 PLLEMM C32H56N6O9S2 732.3551 NA PeJP NA NA +PJ023791 DKERW C32H48N10O10 732.3555 NA PeJP NA NA +PJ023792 HHHFR C33H44N14O6 732.3569 NA PeJP NA NA +PJ023793 GLQEMR C29H52N10O10S 732.3589 NA PeJP NA NA +PJ023794 VDKWW C37H48N8O8 732.3595 NA PeJP NA NA +MJ092407 Antibiotic SS 21020C C41H52N2O10 732.362195 NA MeJP NA NA +MJ092408 Rubiflavin C1; 14,16-Dihydro, 14-hydroxy C41H52N2O10 732.362195 NA MeJP NA NA +PJ023795 SSNNRR C26H48N14O11 732.3627 NA PeJP NA NA +PJ023796 APTKMW C34H52N8O8S 732.3629 NA PeJP NA NA +PJ023797 AKKEEE C30H52N8O13 732.3654 NA PeJP NA NA +PJ023798 PVQKMM C31H56N8O8S2 732.3663 NA PeJP NA NA +PJ023799 SERRW C31H48N12O9 732.3667 NA PeJP NA NA +PJ023800 TDRRW C31H48N12O9 732.3668 NA PeJP NA NA +PJ023801 PVLEEF C35H52N6O11 732.3694 NA PeJP NA NA +PJ023802 AAEMRR C28H52N12O9S 732.3701 NA PeJP NA NA +PJ023803 SVRWW C36H48N10O7 732.3708 NA PeJP NA NA +PJ023804 VLLEEM C32H56N6O11S 732.3728 NA PeJP NA NA +PJ023805 LQMRW C33H52N10O7S 732.3741 NA PeJP NA NA +PJ023806 GALMRW C33H52N10O7S 732.3742 NA PeJP NA NA +PJ023807 ATKEER C29H52N10O12 732.3766 NA PeJP NA NA +PJ023808 GGGGTKKE C29H52N10O12 732.3767 NA PeJP NA NA +PJ023809 APKMMR C30H56N10O7S2 732.3775 NA PeJP NA NA +PJ023810 GVQHHR C30H48N14O8 732.378 NA PeJP NA NA +PJ023811 GTLKEW C34H52N8O10 732.3807 NA PeJP NA NA +PJ023812 DMRRR C27H52N14O8S 732.3814 NA PeJP NA NA +PJ023813 PTKKEM C31H56N8O10S 732.384 NA PeJP NA NA +PJ023814 GGVLKEM C31H56N8O10S 732.3841 NA PeJP NA NA +PJ023815 LKFYY C39H52N6O8 732.3847 NA PeJP NA NA +PJ023816 CLRRW C32H52N12O6S 732.3854 NA PeJP NA NA +PJ023817 ATTERR C28H52N12O11 732.3879 NA PeJP NA NA +PJ023818 PPLLMY C36H56N6O8S 732.3881 NA PeJP NA NA +MJ092409 Undulatine C44H52N4O6 732.388685 NA MeJP NA NA +PJ023819 QHHRR C29H48N16O7 732.3892 NA PeJP NA NA +PJ023820 GTTLRW C33H52N10O9 732.3919 NA PeJP NA NA +MJ092410 2-Hydroxy-6-(16-hydroxyheptadecyl)benzoic acid, 16'-O-[(?-D-Mannopyranosyl)-(1?5)-D-mannonoyl] C36H60O15 732.393221 NA MeJP NA NA +PJ023821 GLKEMR C30H56N10O9S 732.3953 NA PeJP NA NA +PJ023822 TLKWW C38H52N8O7 732.3959 NA PeJP NA NA +PJ023823 GVLKMW C35H56N8O7S 732.3993 NA PeJP NA NA +PJ023824 SLKKEE C31H56N8O12 732.4018 NA PeJP NA NA +PJ023825 PVKKMM C32H60N8O7S2 732.4027 NA PeJP NA NA +PJ023826 AAPRRY C32H52N12O8 732.4031 NA PeJP NA NA +PJ023827 GGVVKHH C32H52N12O8 732.4032 NA PeJP NA NA +PJ023828 PVLLEY C36H56N6O10 732.4058 NA PeJP NA NA +PJ023829 GTLMRR C29H56N12O8S 732.4065 NA PeJP NA NA +PJ023830 PKFRW C37H52N10O6 732.4072 NA PeJP NA NA +C11957 Avermectin B2b monosaccharide C40H60O12 732.4085 NA KEGG NA NA +PJ023831 LKMRW C34H56N10O6S 732.4105 NA PeJP NA NA +PJ023832 STLKER C30H56N10O11 732.413 NA PeJP NA NA +PJ023833 APPHRR C31H52N14O7 732.4144 NA PeJP NA NA +PJ023834 SSLLKW C35H56N8O9 732.417 NA PeJP NA NA +PJ023835 VVTTKW C35H56N8O9 732.4171 NA PeJP NA NA +PJ023836 VVKKEM C32H60N8O9S 732.4204 NA PeJP NA NA +PJ023837 PPLLFF C40H56N6O7 732.4211 NA PeJP NA NA +PJ023838 STTLRR C29H56N12O10 732.4243 NA PeJP NA NA +MJ092411 Patellin 1 C37H60N6O7S 732.424418 NA MeJP NA NA +MJ092412 Patellin 2 C37H60N6O7S 732.424418 NA MeJP NA NA +PJ023839 PLLLMF C37H60N6O7S 732.4245 NA PeJP NA NA +PJ023840 KHHRR C30H52N16O6 732.4256 NA PeJP NA NA +7016 synthetic peptide from alpha-gliadin QILQQILQQQLI 732.426 MH2+ Inhouse_peptide NA peptide +PJ023841 LLLLMM C34H64N6O7S2 732.4278 NA PeJP NA NA +PJ023842 GSKKKW C34H56N10O8 732.4283 NA PeJP NA NA +PJ023843 SVLKMR C31H60N10O8S 732.4317 NA PeJP NA NA +PJ023844 GTTTLLK C32H60N8O11 732.4382 NA PeJP NA NA +PJ023845 AALFRR C33H56N12O7 732.4395 NA PeJP NA NA +PJ023846 VLLLEF C37H60N6O9 732.4422 NA PeJP NA NA +PJ023847 ACKKKR C30H60N12O7S 732.4429 NA PeJP NA NA +PJ023848 SDKKKK C31H60N10O10 732.4494 NA PeJP NA NA +PJ023849 VFRRR C32H56N14O6 732.4508 NA PeJP NA NA +PJ023850 PVVKKY C36H60N8O8 732.4534 NA PeJP NA NA +PJ023851 GGVLLKF C36H60N8O8 732.4535 NA PeJP NA NA +PJ023852 TLLKKM C33H64N8O8S 732.4568 NA PeJP NA NA +MJ092413 20(29)-Lupene-3,28-diol, 3-O-(4-Hydroxy-E-cinnamoyl), 28-O-(3-ethoxycarbonyl-2-hydroxypropanoyl) C45H64O8 732.460119 NA MeJP NA NA +PJ023853 SSKKKR C30H60N12O9 732.4606 NA PeJP NA NA +PJ023854 GLLKFR C35H60N10O7 732.4647 NA PeJP NA NA +PJ023855 AKKKKM C32H64N10O7S 732.468 NA PeJP NA NA +PJ023856 VLLLLY C38H64N6O8 732.4786 NA PeJP NA NA +MJ092414 2-Methyl-2-(polyprenylmethyl)-2H-1-benzopyran-6-ol; 2-(Heptaprenylmethyl)-2-methyl-2H-1-benzopyran-6-ol, Sulfate C46H68O5S 732.478745 NA MeJP NA NA +MJ092415 21,23-Epoxy-4,7,11-trihydroxy-3,4-secoapotirucalla-14,24-dien-3-oic acid, 7,11-Bis(2R-hydroxy-3R-methylpentanoyl) C42H68O10 732.481248 NA MeJP NA NA +MJ092416 Antibiotic C 076; Antibiotic C 076Ib C42H68O10 732.481248 NA MeJP NA NA +PJ023857 TTKKKK C32H64N10O9 732.4858 NA PeJP NA NA +PJ023858 VVLKKF C37H64N8O7 732.4898 NA PeJP NA NA +MJ092417 Mutadione A; 8'',9''-Dihydro C46H68O7 732.496504 NA MeJP NA NA +HMDB12087 SM(d18:0/18:0) C41H85N2O6P 732.614502 NA HMDB2010 NA NA +EUR1044 SM(d18:0/18:0) monoisotopic mass C41H85N2O6P 732.614526 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1044 SM(d18:0/18:0) monoisotopic mass C41H85N2O6P 732.614526 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1044 SM(d18:0/18:0) monoisotopic mass C41H85N2O6P 732.614526 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1044 SM(d18:0/18:0) monoisotopic mass C41H85N2O6P 732.614526 masses lipides attendues Inhousejuil11 NA NA +MJ092418 Archaeol; 1-O-Phosphate C43H89O6P 732.639677 NA MeJP NA NA +HMDB07413 DG(20:1(11Z)/24:1(15Z)/0:0) C47H88O5 732.663147 NA HMDB2010 NA NA +HMDB07441 DG(20:2(11Z,14Z)/24:0/0:0) C47H88O5 732.663147 NA HMDB2010 NA NA +HMDB07610 DG(22:0/22:2(13Z,16Z)/0:0) C47H88O5 732.663147 NA HMDB2010 NA NA +HMDB07638 DG(22:1(13Z)/22:1(13Z)/0:0) C47H88O5 732.663147 NA HMDB2010 NA NA +HMDB07666 DG(22:2(13Z,16Z)/22:0/0:0) C47H88O5 732.663147 NA HMDB2010 NA NA +HMDB07805 DG(24:0/20:2(11Z,14Z)/0:0) C47H88O5 732.663147 NA HMDB2010 NA NA +HMDB07833 DG(24:1(15Z)/20:1(11Z)/0:0) C47H88O5 732.663147 NA HMDB2010 NA NA +MJ092419 1-Hexacosanol; Tetracosanoyl C50H100O2 732.772332 NA MeJP NA NA +MJ092420 1-Tetratriacontanol; Hexadecanoyl C50H100O2 732.772332 NA MeJP NA NA +MJ092421 23-(5-Hydroxypentyl)-22-pentatetracontanone C50H100O2 732.772332 NA MeJP NA NA +5449 caeridin 2 GLLDVVGNLLGGLGLG 732.9179 MH2+ Inhouse_peptide NA peptide +PJ023859 PCCCCCC C23H39N7O8S6 733.1185 NA PeJP NA NA +PJ023860 GCCCCDM C23H39N7O10S5 733.1362 NA PeJP NA NA +PJ023861 SSCCCCE C23H39N7O12S4 733.154 NA PeJP NA NA +PJ023862 GSCCCMM C24H43N7O9S5 733.1726 NA PeJP NA NA +PJ023863 CCCNEY C27H39N7O11S3 733.187 NA PeJP NA NA +PJ023864 SSTCCCM C24H43N7O11S4 733.1904 NA PeJP NA NA +PJ023865 GPCCCDH C26H39N9O10S3 733.1982 NA PeJP NA NA +PJ023866 GCCCYW C31H39N7O8S3 733.2023 NA PeJP NA NA +PJ023867 GSSCCDY C27H39N7O13S2 733.2048 NA PeJP NA NA +PJ023868 CCCQMF C28H43N7O8S4 733.2056 NA PeJP NA NA +PJ023869 CNDDMH C26H39N9O12S2 733.216 NA PeJP NA NA +PJ023870 CCCCFR C27H43N9O7S4 733.2169 NA PeJP NA NA +PJ023871 SCCQMY C28H43N7O10S3 733.2234 NA PeJP NA NA +PJ023872 GSCCNNH C25H39N11O11S2 733.2272 NA PeJP NA NA +PJ023873 ACCDHW C30H39N9O9S2 733.2312 NA PeJP NA NA +PJ023874 GCCEHW C30H39N9O9S2 733.2313 NA PeJP NA NA +PJ023875 ASSCDDH C26H39N9O14S 733.2337 NA PeJP NA NA +PJ023876 GSSCDEH C26H39N9O14S 733.2338 NA PeJP NA NA +PJ023877 SCCCRY C27H43N9O9S3 733.2346 NA PeJP NA NA +PJ023878 GCNDYY C31H39N7O12S 733.2378 NA PeJP NA NA +PJ023879 GSPDDDE C27H39N7O17 733.2403 NA PeJP NA NA +PJ023880 GSSSCMY C28H43N7O12S2 733.2411 NA PeJP NA NA +PJ023881 GPPCDDM C28H43N7O12S2 733.2412 NA PeJP NA NA +PJ023882 CCCKMF C29H47N7O7S4 733.242 NA PeJP NA NA +PJ023883 CCHWW C34H39N9O6S2 733.2465 NA PeJP NA NA +MJ092422 Haplosamate A; 7-Sulfate C29H51NO14S3 733.247167 NA MeJP NA NA +PJ023884 SSCDHW C30H39N9O11S 733.249 NA PeJP NA NA +PJ023885 SSSSDDH C26H39N9O16 733.2515 NA PeJP NA NA +PJ023886 SNDMMH C27H43N9O11S2 733.2524 NA PeJP NA NA +PJ023887 SPDDDW C31H39N7O14 733.2555 NA PeJP NA NA +PJ023888 PPCCEW C32H43N7O9S2 733.2564 NA PeJP NA NA +PJ023889 SSSSTCY C28H43N7O14S 733.2589 NA PeJP NA NA +PJ023890 SCCKMY C29H47N7O9S3 733.2598 NA PeJP NA NA +PJ023891 GSNNNND C25H39N11O15 733.2627 NA PeJP NA NA +PJ023892 GGGGGSNND C25H39N11O15 733.2628 NA PeJP NA NA +PJ023893 EEMYY C33H43N5O12S 733.2629 NA PeJP NA NA +MJ092423 Latindine C41H39N3O10 733.263544 NA MeJP NA NA +PJ023894 SCCEHR C26H43N11O10S2 733.2636 NA PeJP NA NA +PJ023895 GNNDEW C30H39N9O13 733.2668 NA PeJP NA NA +PJ023896 GTCMHW C31H43N9O8S2 733.2676 NA PeJP NA NA +PJ023897 PCDDER C27H43N9O13S 733.2701 NA PeJP NA NA +PJ023898 GGGGGSPDM C27H43N9O13S 733.2702 NA PeJP NA NA +PJ023899 GQMMMH C28H47N9O8S3 733.271 NA PeJP NA NA +PJ023900 SCNHHH C28H39N13O9S 733.2715 NA PeJP NA NA +PJ023901 GSNMYY C32H43N7O11S 733.2741 NA PeJP NA NA +PJ023902 GPDEMW C32H43N7O11S 733.2742 NA PeJP NA NA +PJ023903 AQEEEE C28H43N7O16 733.2767 NA PeJP NA NA +PJ023904 GSPPDMM C29H47N7O11S2 733.2775 NA PeJP NA NA +PJ023905 PNDDHH C29H39N11O12 733.278 NA PeJP NA NA +PJ023906 NNNNQM C26H43N11O12S 733.2814 NA PeJP NA NA +PJ023907 NNDWW C34H39N9O10 733.282 NA PeJP NA NA +PJ023908 GCMMHR C27H47N11O7S3 733.2822 NA PeJP NA NA +PJ023909 SSSMHW C31H43N9O10S 733.2854 NA PeJP NA NA +PJ023910 GDEEER C27H43N9O15 733.2879 NA PeJP NA NA +PJ023911 STQMMH C28H47N9O10S2 733.2887 NA PeJP NA NA +PJ023912 TTNMMH C28H47N9O10S2 733.2888 NA PeJP NA NA +PJ023913 PDMWW C36H43N7O8S 733.2894 NA PeJP NA NA +PJ023914 AAEEEW C32H43N7O13 733.2919 NA PeJP NA NA +PJ023915 CNNNNR C25H43N13O11S 733.2926 NA PeJP NA NA +PJ023916 PPTCMW C33H47N7O8S2 733.2928 NA PeJP NA NA +MJ092424 Antibiotic YL 01641P-B2 C36H47NO15 733.294569 NA MeJP NA NA +PJ023917 PTQEEM C29H47N7O13S 733.2953 NA PeJP NA NA +PJ023918 PEYYY C37H43N5O11 733.2959 NA PeJP NA NA +PJ023919 PPQMMM C30H51N7O8S3 733.2962 NA PeJP NA NA +PJ023920 GCDHFR C30H43N11O9S 733.2966 NA PeJP NA NA +PJ023921 SNNDER C26H43N11O14 733.2991 NA PeJP NA NA +PJ023922 GGGGGGGGGTT C26H43N11O14 733.2992 NA PeJP NA NA +PJ023923 STCMHR C27H47N11O9S2 733.3 NA PeJP NA NA +PJ023924 NMHFW C35H43N9O7S 733.3006 NA PeJP NA NA +PJ023925 GGMHFW C35H43N9O7S 733.3007 NA PeJP NA NA +PJ023926 GSQQEW C31H43N9O12 733.3031 NA PeJP NA NA +PJ023927 DEERW C31H43N9O12 733.3032 NA PeJP NA NA +PJ023928 PCCKHF C32H47N9O7S2 733.304 NA PeJP NA NA +PJ023929 SPDEMR C28H47N9O12S 733.3065 NA PeJP NA NA +PJ023930 VDEWW C36H43N7O10 733.3072 NA PeJP NA NA +PJ023931 PPCMMR C29H51N9O7S3 733.3074 NA PeJP NA NA +C16523 3'-N-Debenzoyl-2'-deoxytaxol C40H47NO12 733.3098 NA KEGG NA NA +PJ023932 APTEMW C33H47N7O10S 733.3105 NA PeJP NA NA +PJ023933 SLQEEE C29H47N7O15 733.313 NA PeJP NA NA +PJ023934 AKEEEE C29H47N7O15 733.3131 NA PeJP NA NA +PJ023935 PVQEMM C30H51N7O10S2 733.3139 NA PeJP NA NA +PJ023936 GSNDRW C30H43N11O11 733.3144 NA PeJP NA NA +PJ023937 ANNEMR C27H47N11O11S 733.3177 NA PeJP NA NA +PJ023938 GNQEMR C27H47N11O11S 733.3178 NA PeJP NA NA +PJ023939 SQQWW C35H43N9O9 733.3184 NA PeJP NA NA +PJ023940 AAQQMW C32H47N9O9S 733.3218 NA PeJP NA NA +PJ023941 ATEEER C28H47N9O14 733.3243 NA PeJP NA NA +PJ023942 APEMMR C29H51N9O9S2 733.3251 NA PeJP NA NA +PJ023943 PVCEMR C29H51N9O9S2 733.3252 NA PeJP NA NA +PJ023944 GQQQHH C29H43N13O10 733.3256 NA PeJP NA NA +PJ023945 GPPMFW C37H47N7O7S 733.3258 NA PeJP NA NA +PJ023946 GTLEEW C33H47N7O12 733.3283 NA PeJP NA NA +PJ023947 GCNERR C26H47N13O10S 733.329 NA PeJP NA NA +PJ023948 GPLMMW C34H51N7O7S2 733.3292 NA PeJP NA NA +PJ023949 GPTHHW C34H43N11O8 733.3296 NA PeJP NA NA +MJ092425 [[4'-[[4-Ethyl-5-[1-oxo-3-[(1-oxobutyl)-3-pyridinylamino]propyl]-2-propyl-1H-imidazol-1-yl]methyl]-3'-fluoro[1,1'-biphenyl]-2-yl]sulfonyl]carbamic acid; 3-Methylbutyl ester C39H48FN5O6S 733.330933 NA MeJP NA NA +PJ023950 PTKEEM C30H51N7O12S 733.3317 NA PeJP NA NA +PJ023951 LEFYY C38H47N5O10 733.3323 NA PeJP NA NA +PJ023952 PPKMMM C31H55N7O7S3 733.3325 NA PeJP NA NA +PJ023953 NQMRW C31H47N11O8S 733.333 NA PeJP NA NA +PJ023954 HHFFF C39H43N9O6 733.3337 NA PeJP NA NA +PJ023955 SSQQER C27H47N11O13 733.3355 NA PeJP NA NA +PJ023956 PCCQKR C28H51N11O8S2 733.3364 NA PeJP NA NA +PJ023957 GNNHHR C28H43N15O9 733.3369 NA PeJP NA NA +PJ023958 GSQKEW C32H47N9O11 733.3395 NA PeJP NA NA +PJ023959 GGGGGGPLY C32H47N9O11 733.3396 NA PeJP NA NA +PJ023960 GLEEMR C29H51N9O11S 733.3429 NA PeJP NA NA +PJ023961 TLEWW C37H47N7O9 733.3435 NA PeJP NA NA +PJ023962 GPVEFW C37H47N7O9 733.3436 NA PeJP NA NA +PJ023963 CNRRW C30H47N13O7S 733.3442 NA PeJP NA NA +PJ023964 GGCRRW C30H47N13O7S 733.3443 NA PeJP NA NA +PJ023965 SSNDRR C26H47N13O12 733.3467 NA PeJP NA NA +PJ023966 GVLEMW C34H51N7O9S 733.3469 NA PeJP NA NA +PJ023967 SLKEEE C30H51N7O14 733.3494 NA PeJP NA NA +PJ023968 PVKEMM C31H55N7O9S2 733.3503 NA PeJP NA NA +PJ023969 GSTQRW C31H47N11O10 733.3508 NA PeJP NA NA +PJ023970 GNKEMR C28H51N11O10S 733.3541 NA PeJP NA NA +PJ023971 GGGGSLMR C28H51N11O10S 733.3542 NA PeJP NA NA +PJ023972 SQKWW C36H47N9O8 733.3548 NA PeJP NA NA +2706 erythromycin inhibitor MNWKR 733.3573 NA Inhouse_peptide NA peptide +PJ023973 LEMRW C33H51N9O8S 733.3582 NA PeJP NA NA +PJ023974 PVFWW C41H47N7O6 733.3588 NA PeJP NA NA +PJ023975 SSSPTQK C29H51N9O13 733.3606 NA PeJP NA NA +PJ023976 STLEER C29H51N9O13 733.3607 NA PeJP NA NA +PJ023977 SPLMMR C30H55N9O8S2 733.3615 NA PeJP NA NA +PJ023978 GVEHHR C30H47N13O9 733.362 NA PeJP NA NA +PJ023979 VLMWW C38H51N7O6S 733.3622 NA PeJP NA NA +PJ023980 SSLLEW C34H51N7O11 733.3647 NA PeJP NA NA +PJ023981 GSQMRR C27H51N13O9S 733.3654 NA PeJP NA NA +PJ023982 AALHHW C35H47N11O7 733.366 NA PeJP NA NA +PJ023983 SSSPLLM C31H55N7O11S 733.368 NA PeJP NA NA +PJ023984 VVKEEM C31H55N7O11S 733.3681 NA PeJP NA NA +PJ023985 LLYYY C39H51N5O9 733.3687 NA PeJP NA NA +PJ023986 NKMRW C32H51N11O7S 733.3694 NA PeJP NA NA +PJ023987 SSQKER C28H51N11O12 733.3719 NA PeJP NA NA +PJ023988 PCCKKR C29H55N11O7S2 733.3728 NA PeJP NA NA +PJ023989 EHHRR C29H47N15O8 733.3732 NA PeJP NA NA +PJ023990 GSKKEW C33H51N9O10 733.3759 NA PeJP NA NA +PJ023991 GSCRRR C26H51N15O8S 733.3766 NA PeJP NA NA +PJ023992 VHHRW C34H47N13O6 733.3773 NA PeJP NA NA +PJ023993 SVLEMR C30H55N9O10S 733.3793 NA PeJP NA NA +PJ023994 GPVLYW C38H51N7O8 733.3799 NA PeJP NA NA +PJ023995 GGPPLFF C38H51N7O8 733.38 NA PeJP NA NA +PJ023996 SSTQRR C27H51N13O11 733.3831 NA PeJP NA NA +PJ023997 ATLLMW C35H55N7O8S 733.3833 NA PeJP NA NA +PJ023998 GTTTLLE C31H55N7O13 733.3858 NA PeJP NA NA +PJ023999 VLLQMM C32H59N7O8S2 733.3867 NA PeJP NA NA +PJ024000 ASSKRW C32H51N11O9 733.3871 NA PeJP NA NA +PJ024001 GSTKRW C32H51N11O9 733.3872 NA PeJP NA NA +PJ024002 GDKKMR C29H55N11O9S 733.3905 NA PeJP NA NA +PJ024003 SKKWW C37H51N9O7 733.3912 NA PeJP NA NA +PJ024004 AAKKMW C34H55N9O7S 733.3946 NA PeJP NA NA +PJ024005 SDKKKE C30H55N9O12 733.397 NA PeJP NA NA +PJ024006 GSSVKKE C30H55N9O12 733.3971 NA PeJP NA NA +PJ024007 ALLMMR C31H59N9O7S2 733.3979 NA PeJP NA NA +PJ024008 QQFRR C31H51N13O8 733.3984 NA PeJP NA NA +PJ024009 TTTLLW C35H55N7O10 733.4011 NA PeJP NA NA +PJ024010 GSKMRR C28H55N13O8S 733.4018 NA PeJP NA NA +PJ024011 KHFFR C36H51N11O6 733.4024 NA PeJP NA NA +PJ024012 TLLKEM C32H59N7O10S 733.4044 NA PeJP NA NA +PJ024013 SSKKER C29H55N11O11 733.4083 NA PeJP NA NA +PJ024014 ATTKKW C34H55N9O9 733.4123 NA PeJP NA NA +PJ024015 TTLLMR C31H59N9O9S 733.4157 NA PeJP NA NA +PJ024016 GVLLFW C39H55N7O7 733.4163 NA PeJP NA NA +PJ024017 SSTKRR C28H55N13O10 733.4195 NA PeJP NA NA +PJ024018 PVLKMF C36H59N7O7S 733.4197 NA PeJP NA NA +PJ024019 SSTTLLL C32H59N7O12 733.4222 NA PeJP NA NA +PJ024020 VLLKMM C33H63N7O7S2 733.4231 NA PeJP NA NA +PJ024021 GVQKFR C33H55N11O8 733.4235 NA PeJP NA NA +PJ024022 GGGLKFR C33H55N11O8 733.4236 NA PeJP NA NA +PJ024023 ATKKMR C30H59N11O8S 733.4269 NA PeJP NA NA +PJ024024 LLFRW C38H55N9O6 733.4276 NA PeJP NA NA +PJ024025 TTKKKE C31H59N9O11 733.4334 NA PeJP NA NA +MJ092426 Dehydroazasirosterol C47H59NO6 733.434238 NA MeJP NA NA +PJ024026 QKFRR C32H55N13O7 733.4348 NA PeJP NA NA +PJ024027 VVLLQY C36H59N7O9 733.4374 NA PeJP NA NA +MJ092427 Enterococcus faecalis Sex pheromone cAM373 C36H59N7O9 733.437426 NA MeJP NA NA +PJ024028 PTLLKY C36H59N7O9 733.4375 NA PeJP NA NA +PJ024029 TTTKKR C30H59N11O10 733.4447 NA PeJP NA NA +PJ024030 GLLLRY C35H59N9O8 733.4487 NA PeJP NA NA +PJ024031 SLKKKM C32H63N9O8S 733.4521 NA PeJP NA NA +PJ024032 GVKKFR C34H59N11O7 733.4599 NA PeJP NA NA +C01912 Erythromycin C37H67NO13 733.4612 NA KEGG NA NA +MJ092428 Erythromycin C37H67NO13 733.461241 NA MeJP NA NA +HMDB08880 PE(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C41H68NO8P 733.468262 NA HMDB2010 NA NA +HMDB09129 PE(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) C41H68NO8P 733.468262 NA HMDB2010 NA NA +HMDB09162 PE(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) C41H68NO8P 733.468262 NA HMDB2010 NA NA +HMDB09193 PE(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) C41H68NO8P 733.468262 NA HMDB2010 NA NA +HMDB09194 PE(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) C41H68NO8P 733.468262 NA HMDB2010 NA NA +HMDB09680 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) C41H68NO8P 733.468262 NA HMDB2010 NA NA +PJ024033 KKFRR C33H59N13O6 733.4712 NA PeJP NA NA +PJ024034 VVLLKY C37H63N7O8 733.4738 NA PeJP NA NA +PJ024035 PPPVVLL C37H63N7O8 733.4739 NA PeJP NA NA +PJ024036 ALKKKF C36H63N9O7 733.4851 NA PeJP NA NA +HMDB12335 PS(14:0/18:1(9Z)) C38H72NO10P 733.48938 NA HMDB2010 NA NA +HMDB12345 PS(14:1(9Z)/18:0) C38H72NO10P 733.48938 NA HMDB2010 NA NA +HMDB12355 PS(16:0/16:1(9Z)) C38H72NO10P 733.48938 NA HMDB2010 NA NA +HMDB12365 PS(16:1(9Z)/16:0) C38H72NO10P 733.48938 NA HMDB2010 NA NA +HMDB12375 PS(18:0/14:1(9Z)) C38H72NO10P 733.48938 NA HMDB2010 NA NA +HMDB12385 PS(18:1(9Z)/14:0) C38H72NO10P 733.48938 NA HMDB2010 NA NA +HMDB01222 L-1-Phosphatidylethanolamine C40H80NO8P 733.56213 http://www.hmdb.ca/metabolites/HMDB01222 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00564 Dipalmitoylphosphatidylcholine C40H80NO8P 733.56213 http://www.hmdb.ca/metabolites/HMDB00564 HMDB NA NA +HMDB01222 L-1-Phosphatidylethanolamine C40H80NO8P 733.56213 http://www.hmdb.ca/metabolites/HMDB01222 HMDB NA NA +HMDB01222 L-1-Phosphatidylethanolamine C40H80NO8P 733.56213 http://www.hmdb.ca/metabolites/HMDB01222 PFEM_hmdb_metabocards_blood NA blood +HMDB00564 Dipalmitoylphosphatidylcholine C40H80NO8P 733.56213 HMDB00564 PFEM_hmdb_metabocards_official NA NA +HMDB01222 L-1-Phosphatidylethanolamine C40H80NO8P 733.56213 HMDB01222 PFEM_hmdb_metabocards_official NA NA +HMDB00564 PC(16:0/16:0) C40H80NO8P 733.562134 NA HMDB2010 NA NA +HMDB07871 PC(14:0/18:0) C40H80NO8P 733.562134 NA HMDB2010 NA NA +HMDB08031 PC(18:0/14:0) C40H80NO8P 733.562134 NA HMDB2010 NA NA +HMDB08899 PE(15:0/20:0) C40H80NO8P 733.562134 NA HMDB2010 NA NA +HMDB09219 PE(20:0/15:0) C40H80NO8P 733.562134 NA HMDB2010 NA NA +MJ092429 Chartellamide A; 6-Bromo C20H11Br5N4O2 733.679888 NA MeJP NA NA +3077 hirudin (54-65) GDFEEIPEEYLQ 733.81245 MH2+ Inhouse_peptide NA peptide +MJ092430 Oscillatoxin A; 19,21-Dibromo C31H44Br2O10 734.130122 NA MeJP NA NA +PJ024037 SCCCCCN C22H38N8O10S5 734.1315 NA PeJP NA NA +MJ092431 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(2-O-sulfo-?-D-glucopyranoside) C29H35O20S(+) 734.136414 NA MeJP NA NA +PJ024038 CCCDEY C27H38N6O12S3 734.171 NA PeJP NA NA +PJ024039 CCCEMF C28H42N6O9S4 734.1896 NA PeJP NA NA +PJ024040 CDDDMH C26H38N8O13S2 734.2 NA PeJP NA NA +PJ024041 SCCEMY C28H42N6O11S3 734.2074 NA PeJP NA NA +PJ024042 GSCCNDH C25H38N10O12S2 734.2112 NA PeJP NA NA +PJ024043 GGGSCCDH C25H38N10O12S2 734.2113 NA PeJP NA NA +MJ092432 Ezomycin A1 C26H38N8O15S 734.217733 NA MeJP NA NA +PJ024044 GPCNDDD C26H38N8O15S 734.2178 NA PeJP NA NA +MJ092433 Julimycin BIII C38H38O15 734.22107 NA MeJP NA NA +PJ024045 GCDDYY C31H38N6O13S 734.2218 NA PeJP NA NA +PJ024046 PCCCFY C32H42N6O8S3 734.2227 NA PeJP NA NA +PJ024047 GCMMMY C29H46N6O8S4 734.226 NA PeJP NA NA +PJ024048 CCNQMH C26H42N10O9S3 734.2299 NA PeJP NA NA +PJ024049 NNDDEE C26H38N8O17 734.2355 NA PeJP NA NA +PJ024050 SDDMMH C27H42N8O12S2 734.2364 NA PeJP NA NA +PJ024051 SPCCYY C32H42N6O10S2 734.2404 NA PeJP NA NA +PJ024052 CCCNHR C25H42N12O8S3 734.2411 NA PeJP NA NA +PJ024053 PDDEEM C28H42N6O15S 734.2429 NA PeJP NA NA +PJ024054 STCMMY C29H46N6O10S3 734.2438 NA PeJP NA NA +PJ024055 GSNNNDD C25H38N10O16 734.2468 NA PeJP NA NA +PJ024056 GSSCNMH C26H42N10O11S2 734.2476 NA PeJP NA NA +PJ024057 GGGGGGAPCC C26H42N10O11S2 734.2477 NA PeJP NA NA +PJ024058 GNDDEW C30H38N8O14 734.2508 NA PeJP NA NA +PJ024059 PCCEHF C31H42N8O9S2 734.2517 NA PeJP NA NA +PJ024060 ASPCNDE C27H42N8O14S 734.2541 NA PeJP NA NA +PJ024061 GSPNDDM C27H42N8O14S 734.2542 NA PeJP NA NA +PJ024062 GEMMMH C28H46N8O9S3 734.255 NA PeJP NA NA +PJ024063 SCDHHH C28H38N12O10S 734.2555 NA PeJP NA NA +PJ024064 GSDMYY C32H42N6O12S 734.2582 NA PeJP NA NA +PJ024065 GCMMFF C33H46N6O7S3 734.259 NA PeJP NA NA +PJ024066 AEEEEE C28H42N6O17 734.2607 NA PeJP NA NA +PJ024067 PDDDHH C29H38N10O13 734.262 NA PeJP NA NA +PJ024068 SSSSCQH C26H42N10O13S 734.2654 NA PeJP NA NA +PJ024069 NDDWW C34H38N8O11 734.266 NA PeJP NA NA +PJ024070 GPPCCCR C27H46N10O8S3 734.2663 NA PeJP NA NA +PJ024071 SPCNEW C31H42N8O11S 734.2694 NA PeJP NA NA +PJ024072 MMMHW C32H46N8O6S3 734.2703 NA PeJP NA NA +PJ024073 SNQEEE C27H42N8O16 734.2719 NA PeJP NA NA +PJ024074 STEMMH C28H46N8O11S2 734.2728 NA PeJP NA NA +PJ024075 TCYYW C36H42N6O9S 734.2734 NA PeJP NA NA +PJ024076 ACMHHH C29H42N12O7S2 734.2741 NA PeJP NA NA +PJ024077 SSSEYY C32H42N6O14 734.2759 NA PeJP NA NA +PJ024078 CNNNDR C25H42N12O12S 734.2766 NA PeJP NA NA +PJ024079 QMMYY C33H46N6O9S2 734.2768 NA PeJP NA NA +PJ024080 PTEEEM C29H46N6O14S 734.2793 NA PeJP NA NA +PJ024081 PPEMMM C30H50N6O9S3 734.2802 NA PeJP NA NA +PJ024082 GNNNMW C30H42N10O10S 734.2806 NA PeJP NA NA +PJ024083 GGGGGNMW C30H42N10O10S 734.2807 NA PeJP NA NA +PJ024084 SNDDER C26H42N10O15 734.2831 NA PeJP NA NA +PJ024085 GGSDDER C26H42N10O15 734.2832 NA PeJP NA NA +PJ024086 PCNDMR C27H46N10O10S2 734.284 NA PeJP NA NA +PJ024087 GSPCWW C35H42N8O8S 734.2847 NA PeJP NA NA +PJ024088 GSQEEW C31H42N8O13 734.2872 NA PeJP NA NA +PJ024089 GPNMMW C32H46N8O8S2 734.288 NA PeJP NA NA +PJ024090 AQQEEM C28H46N8O13S 734.2905 NA PeJP NA NA +PJ024091 GGGGVEEM C28H46N8O13S 734.2906 NA PeJP NA NA +PJ024092 NEFYY C36H42N6O11 734.2912 NA PeJP NA NA +PJ024093 SVMMMH C29H50N8O8S3 734.2914 NA PeJP NA NA +PJ024094 SSMHHH C29H42N12O9S 734.2919 NA PeJP NA NA +MJ092434 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,7-Dibenzoyl, 4,9,13-tri-Ac C40H46O13 734.293841 NA MeJP NA NA +MJ092435 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,9-Dibenzoyl, 4,7,13-tri-Ac C40H46O13 734.293841 NA MeJP NA NA +MJ092436 15(13?2)-Abeo-1,2,3,7,8,11,13-heptahydroxy-15-isopimaren-14-one, 1,11-Dibenzoyl, 2,3,7-tri-Ac C40H46O13 734.293841 NA MeJP NA NA +PJ024095 GTTMYY C33H46N6O11S 734.2945 NA PeJP NA NA +PJ024096 PPDEMF C33H46N6O11S 734.2946 NA PeJP NA NA +PJ024097 SLEEEE C29H46N6O16 734.2971 NA PeJP NA NA +PJ024098 PVEEMM C30H50N6O11S2 734.2979 NA PeJP NA NA +PJ024099 GSDDRW C30H42N10O12 734.2984 NA PeJP NA NA +PJ024100 APCCRW C31H46N10O7S2 734.2993 NA PeJP NA NA +MJ092437 Jaspofoliamoside A C33H50O18 734.299714 NA MeJP NA NA +PJ024101 GNEEMR C27H46N10O12S 734.3018 NA PeJP NA NA +PJ024102 SQEWW C35H42N8O10 734.3024 NA PeJP NA NA +PJ024103 AAQEMW C32H46N8O10S 734.3058 NA PeJP NA NA +PJ024104 GFYYW C40H42N6O8 734.3064 NA PeJP NA NA +PJ024105 SNKEEE C28H46N8O15 734.3083 NA PeJP NA NA +PJ024106 PNDKMM C29H50N8O10S2 734.3092 NA PeJP NA NA +PJ024107 GQQEHH C29H42N12O11 734.3096 NA PeJP NA NA +PJ024108 GGGAAEHH C29H42N12O11 734.3097 NA PeJP NA NA +PJ024109 QMFFY C37H46N6O8S 734.3098 NA PeJP NA NA +PJ024110 STTTYY C33H46N6O13 734.3123 NA PeJP NA NA +PJ024111 GCDERR C26H46N12O11S 734.313 NA PeJP NA NA +PJ024112 KMMYY C34H50N6O8S2 734.3132 NA PeJP NA NA +PJ024113 GNNHFF C34H42N10O9 734.3137 NA PeJP NA NA +MJ092438 Rohituka substance 1 C37H50O15 734.31497 NA MeJP NA NA +PJ024114 VVEEEM C30H50N6O13S 734.3157 NA PeJP NA NA +PJ024115 NEMRW C31H46N10O9S 734.317 NA PeJP NA NA +PJ024116 GTWWW C39H42N8O7 734.3177 NA PeJP NA NA +PJ024117 SSQEER C27H46N10O14 734.3195 NA PeJP NA NA +PJ024118 SPNMMR C28H50N10O9S2 734.3204 NA PeJP NA NA +PJ024119 GNDHHR C28H42N14O10 734.3209 NA PeJP NA NA +PJ024120 VNMWW C36H46N8O7S 734.321 NA PeJP NA NA +PJ024121 GGVMWW C36H46N8O7S 734.3211 NA PeJP NA NA +PJ024122 ATTQEW C32H46N8O12 734.3235 NA PeJP NA NA +PJ024123 GSKEEW C32H46N8O12 734.3236 NA PeJP NA NA +PJ024124 APCKMW C33H50N8O7S2 734.3244 NA PeJP NA NA +PJ024125 QQHHW C33H42N12O8 734.3249 NA PeJP NA NA +PJ024126 AQKEEM C29H50N8O12S 734.3269 NA PeJP NA NA +PJ024127 VQYYY C37H46N6O10 734.3276 NA PeJP NA NA +PJ024128 CDRRW C30H46N12O8S 734.3283 NA PeJP NA NA +PJ024129 SSDDRR C26H46N12O13 734.3308 NA PeJP NA NA +PJ024130 PPVEMY C34H50N6O10S 734.3309 NA PeJP NA NA +PJ024131 PTCCRR C27H50N12O8S2 734.3316 NA PeJP NA NA +PJ024132 GMRWW C35H46N10O6S 734.3323 NA PeJP NA NA +PJ024133 GSTERW C31H46N10O11 734.3348 NA PeJP NA NA +PJ024134 APHHHH C32H42N14O7 734.3361 NA PeJP NA NA +PJ024135 ATQEMR C28H50N10O11S 734.3381 NA PeJP NA NA +PJ024136 GDKEMR C28H50N10O11S 734.3382 NA PeJP NA NA +MJ092439 Lactoferroxin B C36H46N8O9 734.338775 NA MeJP NA NA +PJ024137 SKEWW C36H46N8O9 734.3388 NA PeJP NA NA +PJ024138 AAKEMW C33H50N8O9S 734.3422 NA PeJP NA NA +PJ024139 QFFFF C41H46N6O7 734.3428 NA PeJP NA NA +PJ024140 SDKKEE C29H50N8O14 734.3447 NA PeJP NA NA +PJ024141 PTQKMM C30H54N8O9S2 734.3455 NA PeJP NA NA +PJ024142 GAPTKMM C30H54N8O9S2 734.3456 NA PeJP NA NA +PJ024143 GNNQFR C30H46N12O10 734.346 NA PeJP NA NA +PJ024144 KMFFY C38H50N6O7S 734.3462 NA PeJP NA NA +PJ024145 PVVEEY C34H50N6O12 734.3487 NA PeJP NA NA +PJ024146 GSEMRR C27H50N12O10S 734.3494 NA PeJP NA NA +PJ024147 PPLMMF C35H54N6O7S2 734.3496 NA PeJP NA NA +PJ024148 STRWW C35H46N10O8 734.35 NA PeJP NA NA +PJ024149 GAAPPHW C35H46N10O8 734.3501 NA PeJP NA NA +MJ092440 3,12,30-Trihydroxy-23-oxoeupha-7,24-dien-21,16-olid-28-oic acid, 28-O-?-D-Glucopyranosyl ester, 3-Ac C38H54O14 734.351356 NA MeJP NA NA +MJ092441 3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2-O-acetyl-?-L-rhamnopyranoside] C38H54O14 734.351356 NA MeJP NA NA +MJ092442 3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-3-O-acetyl-?-L-rhamnopyranoside] C38H54O14 734.351356 NA MeJP NA NA +MJ092443 Zaragozic acid F C38H54O14 734.351356 NA MeJP NA NA +PJ024150 TLLEEM C31H54N6O12S 734.3521 NA PeJP NA NA +PJ024151 PLLMMM C32H58N6O7S3 734.3529 NA PeJP NA NA +PJ024152 DKMRW C32H50N10O8S 734.3534 NA PeJP NA NA +PJ024153 VHFFW C40H46N8O6 734.3541 NA PeJP NA NA +PJ024154 SSKEER C28H50N10O13 734.3559 NA PeJP NA NA +PJ024155 GLQMMR C29H54N10O8S2 734.3568 NA PeJP NA NA +PJ024156 GTQHHR C29H46N14O9 734.3573 NA PeJP NA NA +PJ024157 CLKWW C37H50N8O6S 734.3574 NA PeJP NA NA +PJ024158 ATTKEW C33H50N8O11 734.3599 NA PeJP NA NA +PJ024159 GGGGVLEF C33H50N8O11 734.36 NA PeJP NA NA +PJ024160 QKHHW C34H46N12O7 734.3613 NA PeJP NA NA +PJ024161 AKKEEM C30H54N8O11S 734.3633 NA PeJP NA NA +PJ024162 VKYYY C38H50N6O9 734.3639 NA PeJP NA NA +PJ024163 PPPVYY C38H50N6O9 734.364 NA PeJP NA NA +PJ024164 SMRRW C31H50N12O7S 734.3646 NA PeJP NA NA +PJ024165 GPCFRR C31H50N12O7S 734.3647 NA PeJP NA NA +MJ092444 Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Dibenzoyl, 3-O-?-D-cymaropyranoside C42H54O11 734.366612 NA MeJP NA NA +MJ092445 Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Dibenzoyl, 3-O-?-D-oleandroside C42H54O11 734.366612 NA MeJP NA NA +PJ024166 SSTERR C27H50N12O12 734.3671 NA PeJP NA NA +PJ024167 GGGSSSKR C27H50N12O12 734.3672 NA PeJP NA NA +PJ024168 PVLEMF C35H54N6O9S 734.3673 NA PeJP NA NA +MJ092446 Alstonia constricta Alkaloid C43H50N4O7 734.367949 NA MeJP NA NA +MJ092447 Voacanga thouarsii Alkaloid E C43H50N4O7 734.367949 NA MeJP NA NA +MJ092448 Vobtusamine C43H50N4O7 734.367949 NA MeJP NA NA +PJ024169 AAMMRR C28H54N12O7S2 734.368 NA PeJP NA NA +PJ024170 VLLEMM C32H58N6O9S2 734.3707 NA PeJP NA NA +PJ024171 SSSLRW C32H50N10O10 734.3712 NA PeJP NA NA +PJ024172 ATKEMR C29H54N10O10S 734.3745 NA PeJP NA NA +PJ024173 GGGGTKKM C29H54N10O10S 734.3746 NA PeJP NA NA +PJ024174 AAPKYW C37H50N8O8 734.3752 NA PeJP NA NA +PJ024175 GTLKMW C34H54N8O8S 734.3786 NA PeJP NA NA +PJ024176 KFFFF C42H50N6O6 734.3792 NA PeJP NA NA +PJ024177 ATTTTLQ C30H54N8O13 734.381 NA PeJP NA NA +PJ024178 TTKKEE C30H54N8O13 734.3811 NA PeJP NA NA +PJ024179 PTKKMM C31H58N8O8S2 734.3819 NA PeJP NA NA +PJ024180 GSPRRY C31H50N12O9 734.3824 NA PeJP NA NA +PJ024181 PTLLEY C35H54N6O11 734.3851 NA PeJP NA NA +PJ024182 ATTMRR C28H54N12O9S 734.3858 NA PeJP NA NA +PJ024183 VQFRW C36H50N10O7 734.3864 NA PeJP NA NA +PJ024184 GPKMFR C33H54N10O7S 734.3898 NA PeJP NA NA +PJ024185 TTTKER C29H54N10O12 734.3923 NA PeJP NA NA +PJ024186 GLKMMR C30H58N10O7S2 734.3932 NA PeJP NA NA +PJ024187 GTKHHR C30H50N14O8 734.3936 NA PeJP NA NA +PJ024188 STTLKW C34H54N8O10 734.3963 NA PeJP NA NA +PJ024189 AFRRW C35H50N12O6 734.3977 NA PeJP NA NA +PJ024190 SLKKEM C31H58N8O10S 734.3997 NA PeJP NA NA +PJ024191 PPVLFY C39H54N6O8 734.4003 NA PeJP NA NA +PJ024192 TTTTRR C28H54N12O11 734.4035 NA PeJP NA NA +PJ024193 PVLLMY C36H58N6O8S 734.4037 NA PeJP NA NA +MJ092449 Cabufiline; Deepoxy C44H54N4O6 734.404335 NA MeJP NA NA +PJ024194 APTKRY C33H54N10O9 734.4075 NA PeJP NA NA +PJ024195 GVLQRY C33H54N10O9 734.4076 NA PeJP NA NA +PJ024196 STLKMR C30H58N10O9S 734.4109 NA PeJP NA NA +PJ024197 AALKFW C38H54N8O7 734.4116 NA PeJP NA NA +MJ092450 Incarvillateine; N-Oxide C42H58N2O9 734.414231 NA MeJP NA NA +PJ024198 PCLKKF C35H58N8O7S 734.415 NA PeJP NA NA +3015 kinases inhibitor KKALRRQEAADAL 734.41645 MH2+ Inhouse_peptide NA peptide +PJ024199 SSSTLLK C31H58N8O12 734.4174 NA PeJP NA NA +PJ024200 VVKKMM C32H62N8O7S2 734.4183 NA PeJP NA NA +PJ024201 LQRRY C32H54N12O8 734.4188 NA PeJP NA NA +PJ024202 VVLLEY C36H58N6O10 734.4215 NA PeJP NA NA +PJ024203 VKFRW C37H54N10O6 734.4228 NA PeJP NA NA +MJ092451 12,21,23,29-Tetrahydroxytirucalla-7,24-dien-3-one, 29-O-?-D-Glucopyranoside, 12,21-di-Ac C40H62O12 734.424127 NA MeJP NA NA +MJ092452 3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside] C40H62O12 734.424127 NA MeJP NA NA +MJ092453 Crustulinol; 2-O-(3-Hydroxy-3-methylglutaroyl)(S)-, 3,11-di-Ac C40H62O12 734.424127 NA MeJP NA NA +MJ092454 Crustulinol; 2-O-(3-Hydroxy-3-methylglutaroyl)(S)-, 3,21-O-di-Ac C40H62O12 734.424127 NA MeJP NA NA +MJ092455 Senescensol; 12?-Hydroxy, 2-(3-hydroxy-3-methylglutaroyl)(S-)-, 3,21-di-Ac C40H62O12 734.424127 NA MeJP NA NA +2982 kinases inhibitor KKALKRQEAVDAL 734.42845 MH2+ Inhouse_peptide NA peptide +2985 kinases inhibitor KKALRKQEAVDAL 734.42845 MH2+ Inhouse_peptide NA peptide +PJ024204 GSSTKKK C30H58N10O11 734.4287 NA PeJP NA NA +PJ024205 TFRRR C31H54N14O7 734.43 NA PeJP NA NA +PJ024206 SPLKKY C35H58N8O9 734.4327 NA PeJP NA NA +MJ092456 Rhizopodin C39H62N2O11 734.43536 NA MeJP NA NA +PJ024207 PVLLFF C40H58N6O7 734.4367 NA PeJP NA NA +PJ024208 VLLLMF C37H62N6O7S 734.4401 NA PeJP NA NA +PJ024209 GVLKRY C34H58N10O8 734.4439 NA PeJP NA NA +PJ024210 GGAKKKF C34H58N10O8 734.444 NA PeJP NA NA +PJ024211 TCKKKK C31H62N10O8S 734.4473 NA PeJP NA NA +PJ024212 LKRRY C33H58N12O7 734.4552 NA PeJP NA NA +PJ024213 TLLLLY C37H62N6O9 734.4579 NA PeJP NA NA +C08955 beta-Hederin C41H66O11 734.4605 NA KEGG NA NA +MJ092457 20(29)-Lupen-3-ol, 3-O-[?-L-Arabinofuranosyl-(1?4)-?-D-glucuronopyranoside] C41H66O11 734.460512 NA MeJP NA NA +MJ092458 Dermostatin; Dermostatin B C41H66O11 734.460512 NA MeJP NA NA +MJ092459 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Arabinofuranosyl-(1?2)-?-L-rhamnopyranoside] C41H66O11 734.460512 NA MeJP NA NA +MJ092460 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside] C41H66O11 734.460512 NA MeJP NA NA +MJ092461 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C41H66O11 734.460512 NA MeJP NA NA +MJ092462 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-xylopyranoside] C41H66O11 734.460512 NA MeJP NA NA +MJ092463 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-arabinopyranoside] C41H66O11 734.460512 NA MeJP NA NA +PJ024214 ALLKKY C36H62N8O8 734.4691 NA PeJP NA NA +PJ024215 GKKKKF C35H62N10O7 734.4803 NA PeJP NA NA +MJ092464 Azathramycin C37H70N2O12 734.492875 NA MeJP NA NA +MJ092465 2-Polyprenyl-1,4-benzenediol; 2-Octaprenyl-1,4-benzenediol, 1-Sulfate C46H70O5S 734.494396 NA MeJP NA NA +MJ092466 2-Polyprenyl-1,4-benzenediol; 2-Octaprenyl-1,4-benzenediol, 4-Sulfate C46H70O5S 734.494396 NA MeJP NA NA +MJ092467 12-Ursen-3-ol, O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C42H70O10 734.496898 NA MeJP NA NA +MJ092468 Salinomycin; 17-Epimer, 20-deoxy C42H70O10 734.496898 NA MeJP NA NA +MJ092469 Salinomycin; 20-Deoxy C42H70O10 734.496898 NA MeJP NA NA +MJ092470 Thioetheramide-PC C40H83N2O5PS 734.57603 NA MeJP NA NA +HMDB07384 DG(20:0/24:1(15Z)/0:0) C47H90O5 734.678833 NA HMDB2010 NA NA +HMDB07412 DG(20:1(11Z)/24:0/0:0) C47H90O5 734.678833 NA HMDB2010 NA NA +HMDB07609 DG(22:0/22:1(13Z)/0:0) C47H90O5 734.678833 NA HMDB2010 NA NA +HMDB07637 DG(22:1(13Z)/22:0/0:0) C47H90O5 734.678833 NA HMDB2010 NA NA +HMDB07804 DG(24:0/20:1(11Z)/0:0) C47H90O5 734.678833 NA HMDB2010 NA NA +HMDB07832 DG(24:1(15Z)/20:0/0:0) C47H90O5 734.678833 NA HMDB2010 NA NA +MJ092471 20(29)-Lupen-3-ol, Heneicosanoyl C51H90O2 734.694082 NA MeJP NA NA +HMDB06728 Cholesteryl nervonic acid C51H90O2 734.69409 http://www.hmdb.ca/metabolites/HMDB06728 HMDB NA NA +HMDB06728 Cholesteryl nervonic acid C51H90O2 734.69409 HMDB06728 PFEM_hmdb_metabocards_official NA NA +HMDB06728 CE(24:1(15Z)) C51H90O2 734.694092 NA HMDB2010 NA NA +MJ092472 Tyromedan C21H24I3NO4 734.883938 NA MeJP NA NA +2594 tenecin-1 (1-15) VTCDILSVEAKGVKL~ 734.9329 MH2+ Inhouse_peptide NA peptide +PJ024216 SCCCCCD C22H37N7O11S5 735.1155 NA PeJP NA NA +PJ024217 ACCCCCM C23H41N7O8S6 735.1341 NA PeJP NA NA +FL7AAIGLS001 Malvidin 3-glucoside-5-(2''-sulfatoglucoside) C29H35O20S 735.14423 160206-01-9 knapsack NA NA +PJ024218 SSCCCCM C23H41N7O10S5 735.1519 NA PeJP NA NA +PJ024219 CCCNMY C27H41N7O9S4 735.1849 NA PeJP NA NA +PJ024220 GSCCDDH C25H37N9O13S2 735.1953 NA PeJP NA NA +PJ024221 APCCCCH C26H41N9O8S4 735.1961 NA PeJP NA NA +MJ092473 Ezomycin B1 C26H37N7O16S 735.201748 NA MeJP NA NA +PJ024222 GPCDDDD C26H37N7O16S 735.2018 NA PeJP NA NA +PJ024223 GSTCCCY C27H41N7O11S3 735.2026 NA PeJP NA NA +PJ024224 CCNEMH C26H41N9O10S3 735.2139 NA PeJP NA NA +PJ024225 CCCNFF C31H41N7O8S3 735.2179 NA PeJP NA NA +PJ024226 NDDDEE C26H37N7O18 735.2195 NA PeJP NA NA +PJ024227 GGDDDEE C26H37N7O18 735.2196 NA PeJP NA NA +PJ024228 SSSSCCY C27H41N7O13S2 735.2204 NA PeJP NA NA +PJ024229 CCCDHR C25H41N11O9S3 735.2251 NA PeJP NA NA +PJ024230 GCCMHW C30H41N9O7S3 735.2291 NA PeJP NA NA +PJ024231 GSNNDDD C25H37N9O17 735.2308 NA PeJP NA NA +PJ024232 GSSCDMH C26H41N9O12S2 735.2316 NA PeJP NA NA +PJ024233 GGGGGPCCE C26H41N9O12S2 735.2317 NA PeJP NA NA +PJ024234 GDDDEW C30H37N7O15 735.2348 NA PeJP NA NA +PJ024235 GCCQYY C31H41N7O10S2 735.2357 NA PeJP NA NA +C08327 Anthemis glycoside B C34H41NO17 735.2374 NA KEGG NA NA +PJ024236 GSPDDDM C27H41N7O15S 735.2382 NA PeJP NA NA +PJ024237 GPPCCEM C28H45N7O10S3 735.239 NA PeJP NA NA +PJ024238 STCCHW C30H41N9O9S2 735.2469 NA PeJP NA NA +PJ024239 SSSSCEH C26H41N9O14S 735.2494 NA PeJP NA NA +PJ024240 DDDWW C34H37N7O12 735.25 NA PeJP NA NA +PJ024241 SCQMMH C27H45N9O9S3 735.2503 NA PeJP NA NA +PJ024242 SPCDEW C31H41N7O12S 735.2534 NA PeJP NA NA +PJ024243 PPCCMW C32H45N7O7S3 735.2543 NA PeJP NA NA +PJ024244 SNEEEE C27H41N7O17 735.2559 NA PeJP NA NA +PJ024245 PNDEMM C28H45N7O12S2 735.2568 NA PeJP NA NA +PJ024246 CNNDDR C25H41N11O13S 735.2606 NA PeJP NA NA +PJ024247 GGGGGGGSCQ C25H41N11O13S 735.2607 NA PeJP NA NA +PJ024248 EMMYY C33H45N5O10S2 735.2608 NA PeJP NA NA +PJ024249 SCCMHR C26H45N11O8S3 735.2615 NA PeJP NA NA +PJ024250 GNNDMW C30H41N9O11S 735.2647 NA PeJP NA NA +PJ024251 GSSNDQE C26H41N9O16 735.2671 NA PeJP NA NA +PJ024252 SDDDER C26H41N9O16 735.2672 NA PeJP NA NA +PJ024253 PCDDMR C27H45N9O11S2 735.268 NA PeJP NA NA +PJ024254 GSEEEW C31H41N7O14 735.2712 NA PeJP NA NA +PJ024255 APCEMW C32H45N7O9S2 735.272 NA PeJP NA NA +PJ024256 GPDMMW C32H45N7O9S2 735.2721 NA PeJP NA NA +PJ024257 GPTTCEE C28H45N7O14S 735.2745 NA PeJP NA NA +PJ024258 AQEEEM C28H45N7O14S 735.2746 NA PeJP NA NA +PJ024259 DEFYY C36H41N5O12 735.2752 NA PeJP NA NA +PJ024260 GPPTCMM C29H49N7O9S3 735.2754 NA PeJP NA NA +PJ024261 PCNEHH C29H41N11O10S 735.2759 NA PeJP NA NA +PJ024262 SSSNNNN C25H41N11O15 735.2784 NA PeJP NA NA +PJ024263 GSPCCNR C26H45N11O10S2 735.2793 NA PeJP NA NA +PJ024264 CNQWW C34H41N9O8S 735.2799 NA PeJP NA NA +PJ024265 SSNNEW C30H41N9O13 735.2824 NA PeJP NA NA +PJ024266 GNMMHF C31H45N9O8S2 735.2833 NA PeJP NA NA +PJ024267 GDEEMR C27H45N9O13S 735.2858 NA PeJP NA NA +PJ024268 SEEWW C35H41N7O11 735.2864 NA PeJP NA NA +PJ024269 SCKMMH C28H49N9O8S3 735.2867 NA PeJP NA NA +PJ024270 AAEEMW C32H45N7O11S 735.2898 NA PeJP NA NA +PJ024271 GPCHHW C33H41N11O7S 735.2912 NA PeJP NA NA +PJ024272 SDKEEE C28H45N7O16 735.2923 NA PeJP NA NA +PJ024273 PTQEMM C29H49N7O11S2 735.2932 NA PeJP NA NA +PJ024274 NNNNNF C29H41N11O12 735.2936 NA PeJP NA NA +PJ024275 GGGGNNNF C29H41N11O12 735.2937 NA PeJP NA NA +PJ024276 PMYYY C37H45N5O9S 735.2938 NA PeJP NA NA +PJ024277 ACCHFR C30H45N11O7S2 735.2945 NA PeJP NA NA +PJ024278 SNNDMR C26H45N11O12S 735.297 NA PeJP NA NA +PJ024279 GSSNWW C34H41N9O10 735.2977 NA PeJP NA NA +C18073 N1,N5-Tri-di(hydroxyferuloyl)-N10-sinapoyl-spermidine C38H45N3O12 735.3003 NA KEGG NA NA +PJ024280 DEMRW C31H45N9O10S 735.301 NA PeJP NA NA +PJ024281 GGGGATMW C31H45N9O10S 735.3011 NA PeJP NA NA +PJ024282 SSEEER C27H45N9O15 735.3035 NA PeJP NA NA +PJ024283 GGGSSDKE C27H45N9O15 735.3036 NA PeJP NA NA +MJ092474 Trypanothione; Homologue C28H49N9O10S2 735.30438 NA MeJP NA NA +C16568 Homotrypanothione disulfide C28H49N9O10S2 735.3044 NA KEGG NA NA +PJ024284 SPDMMR C28H49N9O10S2 735.3044 NA PeJP NA NA +PJ024285 GDDHHR C28H41N13O11 735.3049 NA PeJP NA NA +PJ024286 VDMWW C36H45N7O8S 735.3051 NA PeJP NA NA +PJ024287 ATTEEW C32H45N7O13 735.3076 NA PeJP NA NA +PJ024288 APTMMW C33H49N7O8S2 735.3084 NA PeJP NA NA +PJ024289 QEHHW C33H41N11O9 735.3089 NA PeJP NA NA +PJ024290 AKEEEM C29H49N7O13S 735.3109 NA PeJP NA NA +PJ024291 VEYYY C37H45N5O11 735.3116 NA PeJP NA NA +PJ024292 PVQMMM C30H53N7O8S3 735.3118 NA PeJP NA NA +PJ024293 GSCQRW C30H45N11O9S 735.3123 NA PeJP NA NA +MJ092475 Maytansine; 15-Hydroxy, N2'-de-Ac, N2'-(2-methylpropanoyl) C36H50ClN3O11 735.313387 NA MeJP NA NA +MJ092476 Trewiasine; N'-De-Me C36H50ClN3O11 735.313387 NA MeJP NA NA +MJ092477 Trewiasine; N22-De-Me C36H50ClN3O11 735.313387 NA MeJP NA NA +PJ024294 GSSSNER C26H45N11O14 735.3148 NA PeJP NA NA +PJ024295 GNQMMR C27H49N11O9S2 735.3156 NA PeJP NA NA +PJ024296 GGGQMMR C27H49N11O9S2 735.3157 NA PeJP NA NA +PJ024297 CNKWW C35H45N9O7S 735.3163 NA PeJP NA NA +PJ024298 SSNDKW C31H45N9O12 735.3188 NA PeJP NA NA +PJ024299 ACKMHF C32H49N9O7S2 735.3197 NA PeJP NA NA +PJ024300 ATEEMR C28H49N9O12S 735.3222 NA PeJP NA NA +PJ024301 AAPEYW C36H45N7O10 735.3228 NA PeJP NA NA +PJ024302 APMMMR C29H53N9O7S3 735.323 NA PeJP NA NA +PJ024303 SPCHHR C29H45N13O8S 735.3235 NA PeJP NA NA +PJ024304 AHHWW C37H41N11O6 735.3242 NA PeJP NA NA +PJ024305 GTLEMW C33H49N7O10S 735.3262 NA PeJP NA NA +PJ024306 PFFYY C41H45N5O8 735.3268 NA PeJP NA NA +PJ024307 GCNMRR C26H49N13O8S2 735.3269 NA PeJP NA NA +PJ024308 TTKEEE C29H49N7O15 735.3287 NA PeJP NA NA +PJ024309 PTKEMM C30H53N7O10S2 735.3296 NA PeJP NA NA +PJ024310 SSSNRW C30H45N11O11 735.33 NA PeJP NA NA +PJ024311 GGGGGEFR C30H45N11O11 735.3301 NA PeJP NA NA +PJ024312 LMFYY C38H49N5O8S 735.3302 NA PeJP NA NA +PJ024313 SSQQMR C27H49N11O11S 735.3334 NA PeJP NA NA +PJ024314 PDRYW C35H45N9O9 735.334 NA PeJP NA NA +PJ024315 GAQQFW C35H45N9O9 735.3341 NA PeJP NA NA +PJ024316 GSQKMW C32H49N9O9S 735.3374 NA PeJP NA NA +PJ024317 PTFWW C40H45N7O7 735.3381 NA PeJP NA NA +PJ024318 TTTEER C28H49N9O14 735.3399 NA PeJP NA NA +MJ092478 Senbusine A; O1,O6,O14-Tribenzoyl C44H49NO9 735.340732 NA MeJP NA NA +PJ024319 GLEMMR C29H53N9O9S2 735.3408 NA PeJP NA NA +PJ024320 GTEHHR C29H45N13O10 735.3413 NA PeJP NA NA +PJ024321 TLMWW C37H49N7O7S 735.3414 NA PeJP NA NA +PJ024322 GPVMFW C37H49N7O7S 735.3415 NA PeJP NA NA +PJ024323 STTLEW C33H49N7O12 735.3439 NA PeJP NA NA +PJ024324 PVDDKY C33H49N7O12 735.344 NA PeJP NA NA +PJ024325 SSCQRR C26H49N13O10S 735.3446 NA PeJP NA NA +PJ024326 GVLMMW C34H53N7O7S2 735.3448 NA PeJP NA NA +PJ024327 NNFRW C34H45N11O8 735.3453 NA PeJP NA NA +PJ024328 SLKEEM C30H53N7O12S 735.3473 NA PeJP NA NA +PJ024329 PVKMMM C31H57N7O7S3 735.3482 NA PeJP NA NA +PJ024330 GSCKRW C31H49N11O8S 735.3487 NA PeJP NA NA +PJ024331 ASSSTQR C27H49N11O13 735.3511 NA PeJP NA NA +PJ024332 GSSSDKR C27H49N11O13 735.3512 NA PeJP NA NA +PJ024333 GNKMMR C28H53N11O8S2 735.352 NA PeJP NA NA +PJ024334 PMFRW C36H49N9O6S 735.3527 NA PeJP NA NA +PJ024335 SSTQKW C32H49N9O11 735.3552 NA PeJP NA NA +PJ024336 LMMRW C33H53N9O6S2 735.3561 NA PeJP NA NA +PJ024337 THHRW C33H45N13O7 735.3565 NA PeJP NA NA +PJ024338 STLEMR C29H53N9O11S 735.3585 NA PeJP NA NA +PJ024339 TTLDMR C29H53N9O11S 735.3586 NA PeJP NA NA +PJ024340 GPTLYW C37H49N7O9 735.3592 NA PeJP NA NA +PJ024341 GVMHHR C30H49N13O7S 735.3599 NA PeJP NA NA +PJ024342 GSSSSRR C26H49N13O12 735.3624 NA PeJP NA NA +PJ024343 SSLLMW C34H53N7O9S 735.3626 NA PeJP NA NA +PJ024344 LFFFY C42H49N5O7 735.3632 NA PeJP NA NA +PJ024345 ACCKRR C27H53N13O7S2 735.3633 NA PeJP NA NA +7003 synthetic peptide from alpha-gliadin QEQVPLVQQQQF 735.365 MH2+ Inhouse_peptide NA peptide +PJ024346 SSSTLLE C30H53N7O14 735.3651 NA PeJP NA NA +PJ024347 TLLQMM C31H57N7O9S2 735.3659 NA PeJP NA NA +PJ024348 VVKEMM C31H57N7O9S2 735.366 NA PeJP NA NA +PJ024349 AAQQRY C31H49N11O10 735.3664 NA PeJP NA NA +3658 NA ITDFQI 735.3679 ACE inhibitor Inhouse_peptide NA peptide +PJ024350 SSQKMR C28H53N11O10S 735.3698 NA PeJP NA NA +PJ024351 VEFRW C36H49N9O8 735.3704 NA PeJP NA NA +PJ024352 MHHRR C29H49N15O6S 735.3711 NA PeJP NA NA +PJ024353 GSKKMW C33H53N9O8S 735.3738 NA PeJP NA NA +PJ024354 VVFWW C41H49N7O6 735.3745 NA PeJP NA NA +PJ024355 GSSTKKE C29H53N9O13 735.3763 NA PeJP NA NA +PJ024356 SVLMMR C30H57N9O8S2 735.3772 NA PeJP NA NA +PJ024357 NQRRY C30H49N13O9 735.3776 NA PeJP NA NA +PJ024358 GGQRRY C30H49N13O9 735.3777 NA PeJP NA NA +PJ024359 SPLKEY C34H53N7O11 735.3803 NA PeJP NA NA +PJ024360 SSCKRR C27H53N13O9S 735.381 NA PeJP NA NA +PJ024361 APKHHF C35H49N11O7 735.3817 NA PeJP NA NA +PJ024362 GTTTLLM C31H57N7O11S 735.3837 NA PeJP NA NA +PJ024363 PPVMHR C32H53N11O7S 735.3851 NA PeJP NA NA +7009 synthetic peptide from alpha-gliadin YLQLQPFPQPQL 735.3855 MH2+ Inhouse_peptide NA peptide +PJ024364 GSSTTKR C28H53N11O12 735.3875 NA PeJP NA NA +PJ024365 ACKKMR C29H57N11O7S2 735.3884 NA PeJP NA NA +PJ024366 GPNHRR C29H49N15O8 735.3889 NA PeJP NA NA +PJ024367 SSTKKW C33H53N9O10 735.3916 NA PeJP NA NA +PJ024368 SDKKKM C30H57N9O10S 735.3949 NA PeJP NA NA +PJ024369 AALLYW C38H53N7O8 735.3956 NA PeJP NA NA +MJ092479 Stevastelin B; 14-O-Sulfate C34H61N3O12S 735.397595 NA MeJP NA NA +MJ092480 Stevastelin C3; 13-Ac, 14-sulfate C34H61N3O12S 735.397595 NA MeJP NA NA +PJ024370 PVVKMY C35H57N7O8S 735.399 NA PeJP NA NA +PJ024371 STTTTLL C31H57N7O13 735.4014 NA PeJP NA NA +PJ024372 TLLKMM C32H61N7O8S2 735.4023 NA PeJP NA NA +PJ024373 LERRY C32H53N11O9 735.4028 NA PeJP NA NA +PJ024374 SSKKMR C29H57N11O9S 735.4062 NA PeJP NA NA +PJ024375 VLRYW C37H53N9O7 735.4068 NA PeJP NA NA +PJ024376 GLLMFR C34H57N9O7S 735.4102 NA PeJP NA NA +PJ024377 SSSSLKK C30H57N9O12 735.4127 NA PeJP NA NA +PJ024378 AKKKMM C31H61N9O7S2 735.4136 NA PeJP NA NA +PJ024379 NKRRY C31H53N13O8 735.414 NA PeJP NA NA +PJ024380 GGPPPRR C31H53N13O8 735.4141 NA PeJP NA NA +PJ024381 ALLKEY C35H57N7O10 735.4167 NA PeJP NA NA +MJ092481 Germine; O3-(R)-2-Hydroxy-2-methylbutanoyl, O15-(R)-2-methylbutanoyl, O7-Ac C39H61NO12 735.419376 NA MeJP NA NA +PJ024382 AVQKKY C34H57N9O9 735.4279 NA PeJP NA NA +PJ024383 ATLLRY C34H57N9O9 735.428 NA PeJP NA NA +PJ024384 TTKKKM C31H61N9O9S 735.4313 NA PeJP NA NA +PJ024385 PVVKFF C39H57N7O7 735.432 NA PeJP NA NA +PJ024386 VVLKMF C36H61N7O7S 735.4354 NA PeJP NA NA +PJ024387 AAKKRY C33H57N11O8 735.4392 NA PeJP NA NA +MJ092482 Antibiotic 14A C36H65NO14 735.440505 NA MeJP NA NA +PJ024388 KKKFW C38H57N9O6 735.4432 NA PeJP NA NA +PJ024389 APKKHR C32H57N13O7 735.4504 NA PeJP NA NA +PJ024390 SLLLKY C36H61N7O9 735.4531 NA PeJP NA NA +MJ092483 Tetrahexin C40H65NO11 735.455761 NA MeJP NA NA +PJ024391 GLKKKY C35H61N9O8 735.4643 NA PeJP NA NA +PJ024392 GALLLLH C35H61N9O8 735.4644 NA PeJP NA NA +PJ024393 VVLLHR C34H61N11O7 735.4756 NA PeJP NA NA +HMDB08847 PE(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C41H70NO8P 735.483887 NA HMDB2010 NA NA +HMDB08878 PE(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C41H70NO8P 735.483887 NA HMDB2010 NA NA +HMDB08879 PE(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C41H70NO8P 735.483887 NA HMDB2010 NA NA +HMDB08972 PE(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C41H70NO8P 735.483887 NA HMDB2010 NA NA +HMDB09096 PE(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) C41H70NO8P 735.483887 NA HMDB2010 NA NA +HMDB09127 PE(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) C41H70NO8P 735.483887 NA HMDB2010 NA NA +HMDB09128 PE(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) C41H70NO8P 735.483887 NA HMDB2010 NA NA +HMDB09160 PE(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) C41H70NO8P 735.483887 NA HMDB2010 NA NA +HMDB09161 PE(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) C41H70NO8P 735.483887 NA HMDB2010 NA NA +HMDB09192 PE(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)) C41H70NO8P 735.483887 NA HMDB2010 NA NA +HMDB09452 PE(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)) C41H70NO8P 735.483887 NA HMDB2010 NA NA +HMDB09614 PE(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)) C41H70NO8P 735.483887 NA HMDB2010 NA NA +HMDB09647 PE(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) C41H70NO8P 735.483887 NA HMDB2010 NA NA +HMDB09679 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0) C41H70NO8P 735.483887 NA HMDB2010 NA NA +PJ024394 APPLLLL C37H65N7O8 735.4895 NA PeJP NA NA +PJ024395 LLLLKH C36H65N9O7 735.5007 NA PeJP NA NA +HMDB00614 PS(16:0/16:0) C38H74NO10P 735.505005 NA HMDB2010 NA NA +HMDB12334 PS(14:0/18:0) C38H74NO10P 735.505005 NA HMDB2010 NA NA +HMDB12374 PS(18:0/14:0) C38H74NO10P 735.505005 NA HMDB2010 NA NA +EUR1062 SM(d18:1/15:0) [M+FA-H]- C38H78N2O6P 735.564631 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1062 SM(d18:1/15:0) [M+FA-H]- C38H78N2O6P 735.564631 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1062 SM(d18:1/15:0) [M+FA-H]- C38H78N2O6P 735.564631 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1062 SM(d18:1/15:0) [M+FA-H]- C38H78N2O6P 735.564631 masses lipides attendues Inhousejuil11 NA NA +EUR1058 SM(d18:1/14:0) [M-H+acetate]- C37H76N2O6P 735.565201 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1058 SM(d18:1/14:0) [M-H+acetate]- C37H76N2O6P 735.565201 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1058 SM(d18:1/14:0) [M-H+acetate]- C37H76N2O6P 735.565201 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1058 SM(d18:1/14:0) [M-H+acetate]- C37H76N2O6P 735.565201 masses lipides attendues Inhousejuil11 NA NA +C04873 1-Hexadecylthio-2-hexadecanoylamino-1,2-dideoxy-sn-glycero-3- C40H84N2O5PS 735.5839 NA KEGG NA NA +7011 synthetic peptide from alpha-gliadin PYSQPQPFRPQQ 735.852 MH2+ Inhouse_peptide NA peptide +MJ092484 Glucosulfone C24H36N2O18S3 736.112524 NA MeJP NA NA +PJ024396 CCCDMY C27H40N6O10S4 736.1689 NA PeJP NA NA +PJ024397 CCCMMF C28H44N6O7S5 736.1875 NA PeJP NA NA +PJ024398 CCDEMH C26H40N8O11S3 736.1979 NA PeJP NA NA +PJ024399 CCCDFF C31H40N6O9S3 736.2019 NA PeJP NA NA +PJ024400 DDDDEE C26H36N6O19 736.2036 NA PeJP NA NA +PJ024401 SCCMMY C28H44N6O9S4 736.2053 NA PeJP NA NA +PJ024402 GSCCCQH C25H40N10O10S3 736.2091 NA PeJP NA NA +PJ024403 GSNDDDD C25H36N8O18 736.2148 NA PeJP NA NA +PJ024404 GPCCNDE C26H40N8O13S2 736.2157 NA PeJP NA NA +MJ092485 Antibiotic Sch 64875 C34H44N2O10S3 736.215807 NA MeJP NA NA +PJ024405 GCCEYY C31H40N6O11S2 736.2197 NA PeJP NA NA +MJ092486 Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 6-Ac C34H40O18 736.221464 NA MeJP NA NA +PJ024406 SSSCCNH C25H40N10O12S2 736.2269 NA PeJP NA NA +PJ024407 PCCNDW C30H40N8O10S2 736.2309 NA PeJP NA NA +PJ024408 NNDDEM C26H40N8O15S 736.2334 NA PeJP NA NA +PJ024409 SCEMMH C27H44N8O10S3 736.2343 NA PeJP NA NA +PJ024410 CCYYW C35H40N6O8S2 736.2349 NA PeJP NA NA +MJ092487 Dioxamycin C38H40O15 736.23672 NA MeJP NA NA +PJ024411 SSCDYY C31H40N6O13S 736.2374 NA PeJP NA NA +PJ024412 ACCMFY C32H44N6O8S3 736.2383 NA PeJP NA NA +PJ024413 SDEEEE C27H40N6O18 736.2399 NA PeJP NA NA +PJ024414 PDDEMM C28H44N6O13S2 736.2408 NA PeJP NA NA +C12196 (+/-)-Bocconarborine A C44H36N2O9 736.2421 NA KEGG NA NA +C12197 (+/-)-Bocconarborine B C44H36N2O9 736.2421 NA KEGG NA NA +PJ024415 CCNNHF C29H40N10O9S2 736.2421 NA PeJP NA NA +PJ024416 GGCCNHF C29H40N10O9S2 736.2422 NA PeJP NA NA +PJ024417 GSCNNNE C25H40N10O14S 736.2446 NA PeJP NA NA +PJ024418 CNDDDR C25H40N10O14S 736.2447 NA PeJP NA NA +PJ024419 GSCCCKH C26H44N10O9S3 736.2455 NA PeJP NA NA +PJ024420 GNDDMW C30H40N8O12S 736.2487 NA PeJP NA NA +PJ024421 PCCMHF C31H44N8O7S3 736.2495 NA PeJP NA NA +PJ024422 GSSNDEE C26H40N8O17 736.2512 NA PeJP NA NA +PJ024423 GSPCNEM C27H44N8O12S2 736.252 NA PeJP NA NA +PJ024424 GGGSPCEM C27H44N8O12S2 736.2521 NA PeJP NA NA +PJ024425 GMMMMH C28H48N8O7S4 736.2529 NA PeJP NA NA +PJ024426 TCCHHH C28H40N12O8S2 736.2534 NA PeJP NA NA +PJ024427 PDDDEF C31H40N6O15 736.2552 NA PeJP NA NA +PJ024428 GTCMYY C32H44N6O10S2 736.2561 NA PeJP NA NA +PJ024429 AEEEEM C28H44N6O15S 736.2586 NA PeJP NA NA +PJ024430 SCNNNW C29H40N10O11S 736.2599 NA PeJP NA NA +PJ024431 SSSNNND C25H40N10O16 736.2624 NA PeJP NA NA +PJ024432 GSPCCDR C26H44N10O11S2 736.2633 NA PeJP NA NA +PJ024433 CNEWW C34H40N8O9S 736.2639 NA PeJP NA NA +PJ024434 SSNDEW C30H40N8O14 736.2664 NA PeJP NA NA +PJ024435 SPCNMW C31H44N8O9S2 736.2673 NA PeJP NA NA +PJ024436 SNQEEM C27H44N8O14S 736.2698 NA PeJP NA NA +PJ024437 NDYYY C35H40N6O12 736.2704 NA PeJP NA NA +PJ024438 STMMMH C28H48N8O9S3 736.2707 NA PeJP NA NA +PJ024439 ACCFFF C36H44N6O7S2 736.2713 NA PeJP NA NA +PJ024440 SSSMYY C32H44N6O12S 736.2738 NA PeJP NA NA +PJ024441 CCNNQR C25H44N12O10S2 736.2745 NA PeJP NA NA +PJ024442 TTEEEE C28H44N6O17 736.2763 NA PeJP NA NA +PJ024443 PTEEMM C29H48N6O12S2 736.2772 NA PeJP NA NA +PJ024444 NNNNDF C29H40N10O13 736.2777 NA PeJP NA NA +PJ024445 PPMMMM C30H52N6O7S4 736.2781 NA PeJP NA NA +PJ024446 GCWWW C38H40N8O6S 736.2792 NA PeJP NA NA +PJ024447 SNDDMR C26H44N10O13S 736.281 NA PeJP NA NA +PJ024448 GGGGGGGSTM C26H44N10O13S 736.2811 NA PeJP NA NA +PJ024449 GSSDWW C34H40N8O11 736.2817 NA PeJP NA NA +PJ024450 PCCQMR C27H48N10O8S3 736.2819 NA PeJP NA NA +PJ024451 GSQEMW C31H44N8O11S 736.2851 NA PeJP NA NA +PJ024452 GCHHHF C32H40N12O7S 736.2864 NA PeJP NA NA +PJ024453 ASSSQEE C27H44N8O16 736.2875 NA PeJP NA NA +PJ024454 GSSTQEE C27H44N8O16 736.2876 NA PeJP NA NA +PJ024455 AQQEMM C28H48N8O11S2 736.2884 NA PeJP NA NA +PJ024456 SNNEHH C28H40N12O12 736.2889 NA PeJP NA NA +PJ024457 NMFYY C36H44N6O9S 736.2891 NA PeJP NA NA +PJ024458 APEEEY C32H44N6O14 736.2916 NA PeJP NA NA +PJ024459 GSSCNNR C25H44N12O12S 736.2923 NA PeJP NA NA +PJ024460 PPDMMF C33H48N6O9S2 736.2925 NA PeJP NA NA +PJ024461 EEHHW C33H40N10O10 736.2929 NA PeJP NA NA +PJ024462 PCCCRR C26H48N12O7S3 736.2931 NA PeJP NA NA +MJ092488 Phyllanthocic acid; [6-Deoxy-?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester C36H48O16 736.294235 NA MeJP NA NA +PJ024463 SLEEEM C29H48N6O14S 736.295 NA PeJP NA NA +PJ024464 PVEMMM C30H52N6O9S3 736.2958 NA PeJP NA NA +PJ024465 GSCERW C30H44N10O10S 736.2963 NA PeJP NA NA +PJ024466 GSSSDER C26H44N10O15 736.2988 NA PeJP NA NA +PJ024467 CCQQQK C27H48N10O10S2 736.2996 NA PeJP NA NA +PJ024468 GNEMMR C27H48N10O10S2 736.2997 NA PeJP NA NA +PJ024469 SQMWW C35H44N8O8S 736.3003 NA PeJP NA NA +3280 NA ACDCRGDCFCG 736.3018 celiac toxic Inhouse_peptide NA peptide +PJ024470 SSTQEW C31H44N8O13 736.3028 NA PeJP NA NA +PJ024471 AAQMMW C32H48N8O8S2 736.3037 NA PeJP NA NA +PJ024472 GSNHHW C32H40N12O9 736.3042 NA PeJP NA NA +PJ024473 SNKEEM C28H48N8O13S 736.3062 NA PeJP NA NA +PJ024474 TQYYY C36H44N6O11 736.3068 NA PeJP NA NA +PJ024475 PCQKMM C29H52N8O8S3 736.3071 NA PeJP NA NA +PJ024476 GQQMHH C29H44N12O9S 736.3075 NA PeJP NA NA +PJ024477 PPTEMY C33H48N6O11S 736.3102 NA PeJP NA NA +PJ024478 GCDMRR C26H48N12O9S2 736.3109 NA PeJP NA NA +PJ024479 SCRWW C34H44N10O7S 736.3115 NA PeJP NA NA +PJ024480 PPCHHF C34H44N10O7S 736.3116 NA PeJP NA NA +PJ024481 VVEEMM C30H52N6O11S2 736.3136 NA PeJP NA NA +PJ024482 SSSDRW C30H44N10O12 736.314 NA PeJP NA NA +PJ024483 GGGGAQQY C30H44N10O12 736.3141 NA PeJP NA NA +PJ024484 NMMRW C31H48N10O7S2 736.3149 NA PeJP NA NA +PJ024485 SSQEMR C27H48N10O12S 736.3174 NA PeJP NA NA +PJ024486 GSTTWW C35H44N8O10 736.3181 NA PeJP NA NA +PJ024487 PCCKMR C28H52N10O7S3 736.3183 NA PeJP NA NA +PJ024488 GCQHHR C28H44N14O8S 736.3188 NA PeJP NA NA +PJ024489 GSKEMW C32H48N8O10S 736.3214 NA PeJP NA NA +PJ024490 GGGGPVMY C32H48N8O10S 736.3215 NA PeJP NA NA +PJ024491 NFFFY C40H44N6O8 736.3221 NA PeJP NA NA +PJ024492 GSSTKEE C28H48N8O15 736.3239 NA PeJP NA NA +PJ024493 AQKEMM C29H52N8O10S2 736.3248 NA PeJP NA NA +PJ024494 GNNNRY C29H44N12O11 736.3253 NA PeJP NA NA +PJ024495 SPLEEY C33H48N6O13 736.328 NA PeJP NA NA +PJ024496 SSCERR C26H48N12O11S 736.3287 NA PeJP NA NA +PJ024497 PPVMMY C34H52N6O8S2 736.3288 NA PeJP NA NA +PJ024498 NDFRW C34H44N10O9 736.3293 NA PeJP NA NA +MJ092489 Alcuronium(2+); Dichloride C44H50Cl2N4O2 736.331082 NA MeJP NA NA +PJ024499 GSTMRW C31H48N10O9S 736.3327 NA PeJP NA NA +PJ024500 AQFWW C39H44N8O7 736.3333 NA PeJP NA NA +PJ024501 GSSTTER C27H48N10O14 736.3352 NA PeJP NA NA +PJ024502 ATQMMR C28H52N10O9S2 736.336 NA PeJP NA NA +PJ024503 GDKMMR C28H52N10O9S2 736.3361 NA PeJP NA NA +PJ024504 SSNHHR C28H44N14O10 736.3365 NA PeJP NA NA +PJ024505 SKMWW C36H48N8O7S 736.3367 NA PeJP NA NA +PJ024506 SSTKEW C32H48N8O12 736.3392 NA PeJP NA NA +PJ024507 AAKMMW C33H52N8O7S2 736.3401 NA PeJP NA NA +PJ024508 SDKKEM C29H52N8O12S 736.3426 NA PeJP NA NA +PJ024509 TKYYY C37H48N6O10 736.3432 NA PeJP NA NA +PJ024510 PCKKMM C30H56N8O7S3 736.3434 NA PeJP NA NA +PJ024511 PPCQHR C30H48N12O8S 736.3439 NA PeJP NA NA +PJ024512 PVVEMY C34H52N6O10S 736.3466 NA PeJP NA NA +PJ024513 GSMMRR C27H52N12O8S2 736.3473 NA PeJP NA NA +PJ024514 MHFFR C35H48N10O6S 736.3479 NA PeJP NA NA +PJ024515 TLLEMM C31H56N6O10S2 736.35 NA PeJP NA NA +PJ024516 SSTTRW C31H48N10O11 736.3504 NA PeJP NA NA +PJ024517 GGGGGGTKF C31H48N10O11 736.3505 NA PeJP NA NA +PJ024518 GLHHHH C32H44N14O7 736.3518 NA PeJP NA NA +MJ092490 Antibiotic PF 1057A; 16',17'-Di-Ac C35H60O12S2 736.352618 NA MeJP NA NA +PJ024519 SSKEMR C28H52N10O11S 736.3538 NA PeJP NA NA +PJ024520 LQQYW C36H48N8O9 736.3544 NA PeJP NA NA +PJ024521 GSPKYW C36H48N8O9 736.3545 NA PeJP NA NA +PJ024522 GCKHHR C29H48N14O7S 736.3552 NA PeJP NA NA +PJ024523 ATTKMW C33H52N8O9S 736.3578 NA PeJP NA NA +PJ024524 SSSSLKE C29H52N8O14 736.3603 NA PeJP NA NA +PJ024525 AKKEMM C30H56N8O9S2 736.3612 NA PeJP NA NA +PJ024526 NERRY C30H48N12O10 736.3617 NA PeJP NA NA +PJ024527 PPVMFF C38H52N6O7S 736.3619 NA PeJP NA NA +PJ024528 ALLEEY C34H52N6O12 736.3643 NA PeJP NA NA +PJ024529 VVVEEY C34H52N6O12 736.3644 NA PeJP NA NA +PJ024530 SSTMRR C27H52N12O10S 736.365 NA PeJP NA NA +PJ024531 PVLMMF C35H56N6O7S2 736.3652 NA PeJP NA NA +PJ024532 VNRYW C35H48N10O8 736.3657 NA PeJP NA NA +MJ092491 2,8,9,11,12,14,16-Heptahydroxy-3,5-briaradien-18,7-olide, 12-Octanoyl, 16-butanoyl, 2,9,14-tri-Ac C38H56O14 736.367006 NA MeJP NA NA +MJ092492 Thevetiogenin; 3-O-[?-D-Glucopyranosyl(1?4)-2-O-acetyl-3-O-methyl-?-L-glucopyranoside] C38H56O14 736.367006 NA MeJP NA NA +PJ024533 VLLMMM C32H60N6O7S3 736.3686 NA PeJP NA NA +PJ024534 APCKRY C32H52N10O8S 736.3691 NA PeJP NA NA +PJ024535 AKFWW C40H48N8O6 736.3697 NA PeJP NA NA +MJ092493 Stigmast-22-ene-3,6,7,8,15,16,26-heptol, 26-O-[3-O-Methyl-2-sulfate-?-D-xylopyranoside] C35H60O14S 736.370377 NA MeJP NA NA +MJ092494 Stigmast-22-ene-3,6,7,8,15,16,29-heptol, 29-O-[3-O-Methyl-2-sulfo-?-D-xylopyranoside] C35H60O14S 736.370377 NA MeJP NA NA +PJ024536 SSSSTLR C28H52N10O13 736.3715 NA PeJP NA NA +PJ024537 GTTTTTR C28H52N10O13 736.3716 NA PeJP NA NA +PJ024538 ATKMMR C29H56N10O8S2 736.3724 NA PeJP NA NA +PJ024539 GPDHRR C29H48N14O9 736.3729 NA PeJP NA NA +PJ024540 TTTTKW C33H52N8O11 736.3756 NA PeJP NA NA +PJ024541 GRRYW C34H48N12O7 736.3769 NA PeJP NA NA +PJ024542 ASSTLKM C30H56N8O11S 736.3789 NA PeJP NA NA +PJ024543 TTKKEM C30H56N8O11S 736.379 NA PeJP NA NA +PJ024544 PPVVYY C38H52N6O9 736.3796 NA PeJP NA NA +PJ024545 QMFRR C31H52N12O7S 736.3803 NA PeJP NA NA +PJ024546 PTLLMY C35H56N6O9S 736.383 NA PeJP NA NA +MJ092495 Conofoline C43H52N4O7 736.3836 NA MeJP NA NA +MJ092496 Uncaramine C43H52N4O7 736.3836 NA MeJP NA NA +PJ024547 AAKERY C32H52N10O10 736.3868 NA PeJP NA NA +2772 protease HIV1 inhibitor LLEYSI 736.389 NA Inhouse_peptide NA peptide +2777 protease HIV 1 inhibitor LLEYSL 736.389 NA Inhouse_peptide NA peptide +PJ024548 TTTKMR C29H56N10O10S 736.3902 NA PeJP NA NA +PJ024549 LQKYW C37H52N8O8 736.3908 NA PeJP NA NA +PJ024550 GAPPPLW C37H52N8O8 736.3909 NA PeJP NA NA +PJ024551 CFRRR C30H52N14O6S 736.3915 NA PeJP NA NA +PJ024552 APKKMY C34H56N8O8S 736.3942 NA PeJP NA NA +MJ092497 Ornibactin F C30H56N8O13 736.396683 NA MeJP NA NA +PJ024553 SSTTTLK C30H56N8O13 736.3967 NA PeJP NA NA +PJ024554 SLKKMM C31H60N8O8S2 736.3976 NA PeJP NA NA +PJ024555 SPLQHR C31H52N12O9 736.398 NA PeJP NA NA +PJ024556 DKRRY C31H52N12O9 736.3981 NA PeJP NA NA +PJ024557 SLLLEY C35H56N6O11 736.4007 NA PeJP NA NA +PJ024558 TKFRW C36H52N10O7 736.4021 NA PeJP NA NA +MJ092498 24(23?22)-Abeo-16,23-epoxy-3,23-dihydroxycholesta-5,24-dien-18-al, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C39H60O13 736.403392 NA MeJP NA NA +MJ092499 Spirost-5-ene-3,27-diol, 27-(3S-Hydroxy-3-methylglutaroyl), 3-O-?-D-glucopyranoside C39H60O13 736.403392 NA MeJP NA NA +PJ024559 GVKMFR C33H56N10O7S 736.4055 NA PeJP NA NA +PJ024560 CCKKKK C30H60N10O7S2 736.4088 NA PeJP NA NA +PJ024561 SRRRY C30H52N14O8 736.4093 NA PeJP NA NA +PJ024562 GLKKEY C34H56N8O10 736.412 NA PeJP NA NA +C15715 Myxochromide S2 C39H56N6O8 736.416 NA KEGG NA NA +PJ024563 PVVLFY C39H56N6O8 736.416 NA PeJP NA NA +PJ024564 KMFRR C32H56N12O6S 736.4167 NA PeJP NA NA +PJ024565 VVLLMY C36H60N6O8S 736.4194 NA PeJP NA NA +MJ092500 Angusticraline C44H56N4O6 736.419985 NA MeJP NA NA +MJ092501 Tabernaelegantine A; 20-Epimer, 3'-Methoxy C44H56N4O6 736.419985 NA MeJP NA NA +PJ024566 GTLKRY C33H56N10O9 736.4232 NA PeJP NA NA +PJ024567 LKKYW C38H56N8O7 736.4272 NA PeJP NA NA +PJ024568 ALKKMF C35H60N8O7S 736.4306 NA PeJP NA NA +MJ092502 Sirosterol C47H60O7 736.433904 NA MeJP NA NA +PJ024569 SPLKHR C32H56N12O8 736.4344 NA PeJP NA NA +PJ024570 GAALLHR C32H56N12O8 736.4345 NA PeJP NA NA +MJ092503 Antibiotic TG 488 C40H64O12 736.439777 NA MeJP NA NA +MJ092504 Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-arabinopyranoside] C40H64O12 736.439777 NA MeJP NA NA +MJ092505 Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Xylopyranosyl-(1?3)-?-L-arabinopyranoside] C40H64O12 736.439777 NA MeJP NA NA +MJ092506 Hederagenin 3-glycosides; Diglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-?-D-xylopyranoside] C40H64O12 736.439777 NA MeJP NA NA +MJ092507 Jujubogenin; 3,20-Di-O-?-L-arabinopyranoside C40H64O12 736.439777 NA MeJP NA NA +MJ092508 Jujubogenin; 3-O-[?-L-Arabinofuranosyl-(1?3)-?-L-arabinopyranoside] C40H64O12 736.439777 NA MeJP NA NA +MJ092509 Nonactin C40H64O12 736.439777 NA MeJP NA NA +MJ092510 Perlimycin C40H64O12 736.439777 NA MeJP NA NA +MJ092511 Pouoside C; 8-Acetoxy, 11-O-de-Ac C40H64O12 736.439777 NA MeJP NA NA +MJ092512 Pseudojujubogenin; 3-O-[?-L-Arabinofuranosyl-(1?2)-?-L-arabinopyranoside] C40H64O12 736.439777 NA MeJP NA NA +C11186 Nonactin C40H64O12 736.4398 NA KEGG NA NA +C11187 Transferred to D01049 C40H64O12 736.4398 NA KEGG NA NA +PJ024571 GVLHRR C31H56N14O7 736.4457 NA PeJP NA NA +PJ024572 SVLKKY C35H60N8O9 736.4483 NA PeJP NA NA +PJ024573 TTLKKF C35H60N8O9 736.4484 NA PeJP NA NA +PJ024574 VVLLFF C40H60N6O7 736.4524 NA PeJP NA NA +PJ024575 LHRRR C30H56N16O6 736.4569 NA PeJP NA NA +PJ024576 AAPPLLR C34H60N10O8 736.4596 NA PeJP NA NA +PJ024577 PPVLRR C33H60N12O7 736.4708 NA PeJP NA NA +MJ092513 Stigmasta-7,22-dien-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C41H68O11 736.476163 NA MeJP NA NA +PJ024578 GPPLLLK C36H64N8O8 736.4847 NA PeJP NA NA +PJ024579 APPVLLK C36H64N8O8 736.4848 NA PeJP NA NA +PJ024580 VLLKKH C35H64N10O7 736.496 NA PeJP NA NA +MJ092514 2-Methyl-32,33,34,35-bacteriohopanetetrol, 35-O-?-D-Altruronopyranoside C42H72O10 736.512548 NA MeJP NA NA +MJ092515 2-Methyl-32,33,34,35-bacteriohopanetetrol, 35-O-?-D-Galacturonopyranoside C42H72O10 736.512548 NA MeJP NA NA +MJ092516 2-Methyl-32,33,34,35-bacteriohopanetetrol, 35-O-?-D-Glucuronopyranoside C42H72O10 736.512548 NA MeJP NA NA +MJ092517 Dunaimycin C1 C42H72O10 736.512548 NA MeJP NA NA +MJ092518 Belamcandone B C46H72O7 736.527804 NA MeJP NA NA +MJ092519 1-Nonacosene-4,6,8,10,12,14,16,18,20,22,24-undecol, Undeca-Me ether C40H80O11 736.570063 NA MeJP NA NA +MJ092520 Iristectorene A; Deacyl, 3-O-(9Z,12Z-octadecadienoyl) C48H80O5 736.600575 NA MeJP NA NA +C17570 2-Methyl-6-solanyl-1,4-benzoquinol C52H80O2 736.6158 NA KEGG NA NA +MJ092521 3,7,11,15,19,23,27-Heptamethyl-30-[tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-2,6,10-triacontatriene-1,15,19,23,27-pentol C45H84O7 736.621705 NA MeJP NA NA +MJ092522 Glisoprenin D C45H84O7 736.621705 NA MeJP NA NA +MJ092523 20(29)-Lupen-3-ol, 3-Hydroxyeicosanoyl C50H88O3 736.673346 NA MeJP NA NA +HMDB07383 DG(20:0/24:0/0:0) C47H92O5 736.694458 NA HMDB2010 NA NA +HMDB07608 DG(22:0/22:0/0:0) C47H92O5 736.694458 NA HMDB2010 NA NA +HMDB07803 DG(24:0/20:0/0:0) C47H92O5 736.694458 NA HMDB2010 NA NA +HMDB10376 CE(24:0) C51H92O2 736.709717 NA HMDB2010 NA NA +MJ092524 Cholest-5-en-3-ol, Tetracosanoyl C51H92O2 736.709732 NA MeJP NA NA +MJ092525 Stigmast-5-en-3-ol, Docosanoyl C51H92O2 736.709732 NA MeJP NA NA +PJ024581 TCCCCCC C22H39N7O9S6 737.1134 NA PeJP NA NA +PJ024582 GCCCCCF C26H39N7O8S5 737.1464 NA PeJP NA NA +PJ024583 GSCCCCY C26H39N7O10S4 737.1641 NA PeJP NA NA +PJ024584 GSCCCEH C25H39N9O11S3 737.1931 NA PeJP NA NA +PJ024585 GSDDDDD C25H35N7O19 737.1988 NA PeJP NA NA +PJ024586 GPCCDDE C26H39N7O14S2 737.1997 NA PeJP NA NA +PJ024587 SCCCHW C29H39N9O8S3 737.2084 NA PeJP NA NA +PJ024588 SSSCCDH C25H39N9O13S2 737.2109 NA PeJP NA NA +PJ024589 CCNMMH C26H43N9O8S4 737.2118 NA PeJP NA NA +PJ024590 PCCDDW C30H39N7O11S2 737.2149 NA PeJP NA NA +PJ024591 NDDDEM C26H39N7O16S 737.2174 NA PeJP NA NA +PJ024592 SPPCCCE C27H43N7O11S3 737.2183 NA PeJP NA NA +PJ024593 GCCNNNN C24H39N11O12S2 737.2221 NA PeJP NA NA +PJ024594 GGGGGCCNN C24H39N11O12S2 737.2222 NA PeJP NA NA +PJ024595 CCNDHF C29H39N9O10S2 737.2262 NA PeJP NA NA +PJ024596 CDDDDR C25H39N9O15S 737.2287 NA PeJP NA NA +PJ024597 GSTCCMH C26H43N9O10S3 737.2295 NA PeJP NA NA +PJ024598 GGGGGPCCM C26H43N9O10S3 737.2296 NA PeJP NA NA +PJ024599 GDDDMW C30H39N7O13S 737.2327 NA PeJP NA NA +PJ024600 GSSDDEE C26H39N7O18 737.2352 NA PeJP NA NA +PJ024601 GSPCDEM C27H43N7O13S2 737.2361 NA PeJP NA NA +PJ024602 GPPCCMM C28H47N7O8S4 737.2369 NA PeJP NA NA +PJ024603 SCNNDW C29H39N9O12S 737.2439 NA PeJP NA NA +PJ024604 SSSNNDD C25H39N9O17 737.2464 NA PeJP NA NA +PJ024605 SSSSCMH C26H43N9O12S2 737.2473 NA PeJP NA NA +PJ024606 CDEWW C34H39N7O10S 737.2479 NA PeJP NA NA +PJ024607 SSDDEW C30H39N7O15 737.2504 NA PeJP NA NA +PJ024608 GGPDDDY C30H39N7O15 737.2505 NA PeJP NA NA +PJ024609 SPCDMW C31H43N7O10S2 737.2513 NA PeJP NA NA +PJ024610 SNEEEM C27H43N7O15S 737.2538 NA PeJP NA NA +PJ024611 DDYYY C35H39N5O13 737.2544 NA PeJP NA NA +PJ024612 PNDMMM C28H47N7O10S3 737.2547 NA PeJP NA NA +MJ092526 Fosveset C33H44N3O14P 737.256089 NA MeJP NA NA +PJ024613 CCNNER C25H43N11O11S2 737.2585 NA PeJP NA NA +PJ024614 MMMYY C33H47N5O8S3 737.2587 NA PeJP NA NA +PJ024615 NNNDDF C29H39N9O14 737.2617 NA PeJP NA NA +PJ024616 GCNQMW C30H43N9O9S2 737.2625 NA PeJP NA NA +PJ024617 GGGCQMW C30H43N9O9S2 737.2626 NA PeJP NA NA +PJ024618 SCDEER C26H43N9O14S 737.265 NA PeJP NA NA +PJ024619 SDDDMR C26H43N9O14S 737.2651 NA PeJP NA NA +PJ024620 PCCEMR C27H47N9O9S3 737.2659 NA PeJP NA NA +PJ024621 CNNNHH C27H39N13O10S 737.2664 NA PeJP NA NA +PJ024622 GSEEMW C31H43N7O12S 737.2691 NA PeJP NA NA +PJ024623 APCMMW C32H47N7O7S3 737.2699 NA PeJP NA NA +PJ024624 GSSTEEE C27H43N7O17 737.2716 NA PeJP NA NA +PJ024625 AQEEMM C28H47N7O12S2 737.2724 NA PeJP NA NA +PJ024626 SNDEHH C28H39N11O13 737.2729 NA PeJP NA NA +PJ024627 DMFYY C36H43N5O10S 737.2731 NA PeJP NA NA +PJ024628 GCCNRW C29H43N11O8S2 737.2738 NA PeJP NA NA +PJ024629 GSSCNDR C25H43N11O13S 737.2763 NA PeJP NA NA +PJ024630 SSNNMW C30H43N9O11S 737.2803 NA PeJP NA NA +PJ024631 SSSSNQE C26H43N9O16 737.2828 NA PeJP NA NA +PJ024632 GDEMMR C27H47N9O11S2 737.2837 NA PeJP NA NA +PJ024633 SEMWW C35H43N7O9S 737.2843 NA PeJP NA NA +PJ024634 SSTEEW C31H43N7O14 737.2868 NA PeJP NA NA +PJ024635 AAEMMW C32H47N7O9S2 737.2877 NA PeJP NA NA +PJ024636 GSDHHW C32H39N11O10 737.2882 NA PeJP NA NA +PJ024637 SDKEEM C28H47N7O14S 737.2902 NA PeJP NA NA +PJ024638 TEYYY C36H43N5O12 737.2908 NA PeJP NA NA +PJ024639 PTQMMM C29H51N7O9S3 737.2911 NA PeJP NA NA +PJ024640 GQEMHH C29H43N11O10S 737.2915 NA PeJP NA NA +PJ024641 GGAEMHH C29H43N11O10S 737.2916 NA PeJP NA NA +PJ024642 MMFFY C37H47N5O7S2 737.2917 NA PeJP NA NA +PJ024643 SCNQMR C26H47N11O10S2 737.2949 NA PeJP NA NA +PJ024644 GCQHFF C34H43N9O8S 737.2956 NA PeJP NA NA +PJ024645 ASSSSHY C30H43N9O13 737.298 NA PeJP NA NA +PJ024646 GSSSSQW C30H43N9O13 737.2981 NA PeJP NA NA +PJ024647 DMMRW C31H47N9O8S2 737.2989 NA PeJP NA NA +PJ024648 PCFWW C39H43N7O6S 737.2996 NA PeJP NA NA +PJ024649 SSEEMR C27H47N9O13S 737.3014 NA PeJP NA NA +PJ024650 GSPEYW C35H43N7O11 737.3021 NA PeJP NA NA +PJ024651 PTCMMR C28H51N9O8S3 737.3023 NA PeJP NA NA +PJ024652 GCEHHR C28H43N13O9S 737.3028 NA PeJP NA NA +PJ024653 CLMWW C36H47N7O6S2 737.3029 NA PeJP NA NA +PJ024654 ATTEMW C32H47N7O11S 737.3054 NA PeJP NA NA +PJ024655 VTTCEW C32H47N7O11S 737.3055 NA PeJP NA NA +PJ024656 DFFFY C40H43N5O9 737.3061 NA PeJP NA NA +PJ024657 GGSCCRR C25H47N13O9S2 737.3062 NA PeJP NA NA +PJ024658 QMHHW C33H43N11O7S 737.3068 NA PeJP NA NA +PJ024659 SSSSLEE C28H47N7O16 737.3079 NA PeJP NA NA +PJ024660 AKEEMM C29H51N7O11S2 737.3088 NA PeJP NA NA +PJ024661 GNNDRY C29H43N11O12 737.3093 NA PeJP NA NA +PJ024662 VMYYY C37H47N5O9S 737.3095 NA PeJP NA NA +PJ024663 GNHHHH C30H39N15O8 737.3106 NA PeJP NA NA +PJ024664 GGGHHHH C30H39N15O8 737.3107 NA PeJP NA NA +PJ024665 GSSSNMR C26H47N11O12S 737.3127 NA PeJP NA NA +PJ024666 NQQYW C34H43N9O10 737.3133 NA PeJP NA NA +PJ024667 SSCQKW C31H47N9O10S 737.3167 NA PeJP NA NA +PJ024668 SPYWW C39H43N7O8 737.3173 NA PeJP NA NA +PJ024669 CHHRW C32H43N13O6S 737.318 NA PeJP NA NA +PJ024670 SSSSNKE C27H47N9O15 737.3192 NA PeJP NA NA +C16567 Homotrypanothione C28H51N9O10S2 737.32 NA KEGG NA NA +PJ024671 SNQKMM C28H51N9O10S2 737.32 NA PeJP NA NA +PJ024672 ATEMMR C28H51N9O10S2 737.3201 NA PeJP NA NA +PJ024673 SSDHHR C28H43N13O11 737.3205 NA PeJP NA NA +PJ024674 AAPMYW C36H47N7O8S 737.3207 NA PeJP NA NA +PJ024675 TTTTEW C32H47N7O13 737.3232 NA PeJP NA NA +PJ024676 GTLMMW C33H51N7O8S2 737.3241 NA PeJP NA NA +PJ024677 ASTHHW C33H43N11O9 737.3245 NA PeJP NA NA +PJ024678 GTTHHW C33H43N11O9 737.3246 NA PeJP NA NA +PJ024679 MFFFF C41H47N5O6S 737.3247 NA PeJP NA NA +PJ024680 TTKEEM C29H51N7O13S 737.3266 NA PeJP NA NA +PJ024681 PTKMMM C30H55N7O8S3 737.3275 NA PeJP NA NA +PJ024682 GNNMFR C30H47N11O9S 737.3279 NA PeJP NA NA +PJ024683 SSSSSQR C26H47N11O14 737.3304 NA PeJP NA NA +PJ024684 SCNKMR C27H51N11O9S2 737.3313 NA PeJP NA NA +PJ024685 APPMHW C35H47N9O7S 737.332 NA PeJP NA NA +PJ024686 GSSSSKW C31H47N9O12 737.3344 NA PeJP NA NA +PJ024687 GVDERY C31H47N9O12 737.3345 NA PeJP NA NA +PJ024688 ACCKKW C32H51N9O7S2 737.3353 NA PeJP NA NA +PJ024689 PPNHHH C32H43N13O8 737.3358 NA PeJP NA NA +PJ024690 TTTEMR C28H51N9O12S 737.3378 NA PeJP NA NA +PJ024691 LQEYW C36H47N7O10 737.3385 NA PeJP NA NA +PJ024692 GLMMMR C29H55N9O7S3 737.3387 NA PeJP NA NA +PJ024693 GTMHHR C29H47N13O8S 737.3392 NA PeJP NA NA +PJ024694 STTLMW C33H51N7O10S 737.3418 NA PeJP NA NA +PJ024695 GGVVEMF C33H51N7O10S 737.3419 NA PeJP NA NA +PJ024696 VFFYY C41H47N5O8 737.3425 NA PeJP NA NA +PJ024697 KMHHW C34H47N11O6S 737.3432 NA PeJP NA NA +PJ024698 SSTTTLE C29H51N7O15 737.3443 NA PeJP NA NA +PJ024699 SLKEMM C30H55N7O10S2 737.3452 NA PeJP NA NA +PJ024700 DERRY C30H47N11O11 737.3457 NA PeJP NA NA +PJ024701 GSSTCKR C27H51N11O11S 737.349 NA PeJP NA NA +PJ024702 VDRYW C35H47N9O9 737.3497 NA PeJP NA NA +PJ024703 SSCKKW C32H51N9O9S 737.3531 NA PeJP NA NA +PJ024704 ALYWW C40H47N7O7 737.3537 NA PeJP NA NA +PJ024705 SSSSDKK C28H51N9O14 737.3556 NA PeJP NA NA +PJ024706 STLMMR C29H55N9O9S2 737.3564 NA PeJP NA NA +PJ024707 GGSKKMM C29H55N9O9S2 737.3565 NA PeJP NA NA +PJ024708 STTHHR C29H47N13O10 737.3569 NA PeJP NA NA +PJ024709 AALMFW C37H51N7O7S 737.3571 NA PeJP NA NA +PJ024710 GLKEEY C33H51N7O12 737.3596 NA PeJP NA NA +PJ024711 PCLKMF C34H55N7O7S2 737.3605 NA PeJP NA NA +PJ024712 GPNKHW C34H47N11O8 737.3609 NA PeJP NA NA +PJ024713 GGGPKHW C34H47N11O8 737.361 NA PeJP NA NA +7754 soymorphin-6 YPFVVN 737.3619 antioxidative Inhouse_peptide NA peptide +7480 ACE inhibitor (fragment of as2-casein) FALPQY 737.362 antioxidative Inhouse_peptide NA peptide +PJ024714 SSSTLLM C30H55N7O12S 737.363 NA PeJP NA NA +PJ024715 VVKMMM C31H59N7O7S3 737.3638 NA PeJP NA NA +PJ024716 EMFRR C31H51N11O8S 737.3643 NA PeJP NA NA +PJ024717 PLHWW C39H47N9O6 737.365 NA PeJP NA NA +PJ024718 SSSSSKR C27H51N11O13 737.3668 NA PeJP NA NA +PJ024719 TCCKKR C28H55N11O8S2 737.3677 NA PeJP NA NA +PJ024720 VMFRW C36H51N9O6S 737.3683 NA PeJP NA NA +PJ024721 GTLERY C32H51N9O11 737.3708 NA PeJP NA NA +PJ024722 GGGPPPKE C32H51N9O11 737.3709 NA PeJP NA NA +PJ024723 AAHHFR C33H47N13O7 737.3722 NA PeJP NA NA +PJ024724 GSSTKKM C29H55N9O11S 737.3742 NA PeJP NA NA +PJ024725 LKEYW C37H51N7O9 737.3748 NA PeJP NA NA +PJ024726 GSLLYW C37H51N7O9 737.3749 NA PeJP NA NA +PJ024727 SPLKMY C34H55N7O9S 737.3782 NA PeJP NA NA +PJ024728 TTTTTTL C30H55N7O14 737.3807 NA PeJP NA NA +PJ024729 GSQKRY C31H51N11O10 737.3821 NA PeJP NA NA +PJ024730 TLRYW C36H51N9O8 737.3861 NA PeJP NA NA +MJ092527 Bufotalin; 3-Histidinylsuberoyl C40H55N3O10 737.388744 NA MeJP NA NA +PJ024731 GVLMRY C33H55N9O8S 737.3895 NA PeJP NA NA +PJ024732 SSSTTKK C29H55N9O13 737.3919 NA PeJP NA NA +PJ024733 TCKKKM C30H59N9O8S2 737.3928 NA PeJP NA NA +PJ024734 SPNKHR C30H51N13O9 737.3933 NA PeJP NA NA +PJ024735 SVLKEY C34H55N7O11 737.396 NA PeJP NA NA +PJ024736 PFRRY C35H51N11O7 737.3973 NA PeJP NA NA +PJ024737 LMRRY C32H55N11O7S 737.4007 NA PeJP NA NA +PJ024738 AAQHRR C29H51N15O8 737.4045 NA PeJP NA NA +PJ024739 GGGVHRR C29H51N15O8 737.4046 NA PeJP NA NA +PJ024740 SSLLRY C33H55N9O10 737.4072 NA PeJP NA NA +PJ024741 APLKFY C38H55N7O8 737.4112 NA PeJP NA NA +PJ024742 GAALLFF C38H55N7O8 737.4113 NA PeJP NA NA +MJ092528 Microginin 91C; 10-Chloro C37H60ClN5O8 737.413041 NA MeJP NA NA +PJ024743 ALLKMY C35H59N7O8S 737.4146 NA PeJP NA NA +PJ024744 NHRRR C28H51N17O7 737.4158 NA PeJP NA NA +PJ024745 VVQQKH C32H55N11O9 737.4184 NA PeJP NA NA +PJ024746 GSKKRY C32H55N11O9 737.4185 NA PeJP NA NA +PJ024747 GLLLHW C37H55N9O7 737.4225 NA PeJP NA NA +PJ024748 GKKKMF C34H59N9O7S 737.4259 NA PeJP NA NA +PJ024749 PPVNRR C31H55N13O8 737.4297 NA PeJP NA NA +PJ024750 TTLLKY C35H59N7O10 737.4324 NA PeJP NA NA +PJ024751 LFFRR C36H55N11O6 737.4337 NA PeJP NA NA +MJ092529 16,28-Secosolanida-5,22(28)-diene-3,16-diol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C39H63NO12 737.435026 NA MeJP NA NA +MJ092530 Spirosol-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-galactopyranoside] C39H63NO12 737.435026 NA MeJP NA NA +PJ024752 GPPRRR C30H55N15O7 737.4409 NA PeJP NA NA +PJ024753 ATKKKY C34H59N9O9 737.4436 NA PeJP NA NA +PJ024754 PPLLLW C39H59N7O7 737.4476 NA PeJP NA NA +PJ024755 SLLLHR C33H59N11O8 737.4548 NA PeJP NA NA +PJ024756 GGVLKKH C33H59N11O8 737.4549 NA PeJP NA NA +PJ024757 GLKKHR C32H59N13O7 737.4661 NA PeJP NA NA +PJ024758 SPPVLLL C36H63N7O9 737.4688 NA PeJP NA NA +MJ092531 16,28-Secosolanid-5-ene-3,16-diol, N-Me, 3-O-[?-L-rhamnopyranosyl(1?2)-?-D-glucopyranoside] C40H67NO11 737.471411 NA MeJP NA NA +PJ024759 GPPVLKK C35H63N9O8 737.48 NA PeJP NA NA +PJ024760 PPLKKR C34H63N11O7 737.4912 NA PeJP NA NA +HMDB08845 PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z)) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB08846 PE(14:0/22:5(7Z,10Z,13Z,16Z,19Z)) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB08877 PE(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB08939 PE(16:0/20:5(5Z,8Z,11Z,14Z,17Z)) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB08970 PE(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB08971 PE(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB09030 PE(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB09063 PE(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB09094 PE(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB09095 PE(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB09126 PE(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB09159 PE(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB09190 PE(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB09191 PE(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB09386 PE(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB09419 PE(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB09451 PE(20:5(5Z,8Z,11Z,14Z,17Z)/16:0) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB09581 PE(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB09613 PE(22:5(4Z,7Z,10Z,13Z,16Z)/14:0) C41H72NO8P 737.499573 NA HMDB2010 NA NA +HMDB09646 PE(22:5(7Z,10Z,13Z,16Z,19Z)/14:0) C41H72NO8P 737.499573 NA HMDB2010 NA NA +PJ024761 APVLLLL C37H67N7O8 737.5051 NA PeJP NA NA +MJ092532 Ternatin C37H67N7O8 737.505112 NA MeJP NA NA +PJ024762 GPLLLLL C37H67N7O8 737.5052 NA PeJP NA NA +MJ092533 Batzelladine B C40H67N9O4 737.531601 NA MeJP NA NA +HMDB08258 PC(18:4(6Z,9Z,12Z,15Z)/P-16:0) C42H76NO7P 737.53595 NA HMDB2010 NA NA +HMDB11214 PC(P-16:0/18:4(6Z,9Z,12Z,15Z)) C42H76NO7P 737.53595 NA HMDB2010 NA NA +MJ092534 [4,4'-Biphenylenebis(sulfonyliminoethylene)]bis(trimethylammonium)(2+); Diiodide C22H36I2N4O4S2 738.026733 NA MeJP NA NA +MetaCyc04083 molybdopterin guanine dinucleotide [MGD;MPT-GMP;] C20H24N10O13P2S2 738.044095 NA metacyc NA NA +FL2FAAGS0026 Naringenin 7-(4,6-digalloylglucoside);5,7,4'-Trihydroxyflavanone 7-(4,6-digalloylglucoside) C35H30O18 738.14321 231289-24-0 knapsack NA NA +MJ092535 4',5,7-Trihydroxyflavanone, 7-O-[4,6-Di-O-(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] C35H30O18 738.143214 NA MeJP NA NA +MJ092536 Intricatetraol C30H54Br2Cl2O6 738.16642 NA MeJP NA NA +PJ024763 GCCCCNH C24H38N10O9S4 738.1706 NA PeJP NA NA +PJ024764 GGGCCCCH C24H38N10O9S4 738.1707 NA PeJP NA NA +PJ024765 CCDMMH C26H42N8O9S4 738.1958 NA PeJP NA NA +FL5FCAGS0013 Kaempferol 7-methyl ether 3-[3-hydroxy-3-methylglutaryl-(1->6)]-[apiosyl-(1->2)-galactoside];Rhamnocitrin-3-O-{[3-hydroxy-3-methylglutaroyl(1->6)][beta-D-apiofuranosyl(1->2)]}-beta-D-galactopyranoside C33H38O19 738.20072 419545-85-0 knapsack NA NA +MJ092537 Vitexin; O-[?-D-Glucopyranosyl-(1??)-?-L-rhamnopyranoside] C33H38O19 738.200729 NA MeJP NA NA +PJ024766 DDDDEM C26H38N6O17S 738.2015 NA PeJP NA NA +PJ024767 GCCNNND C24H38N10O13S2 738.2062 NA PeJP NA NA +PJ024768 CCDDHF C29H38N8O11S2 738.2102 NA PeJP NA NA +PJ024769 GSCNDDE C25H38N8O16S 738.2127 NA PeJP NA NA +PJ024770 GPCCNDM C26H42N8O11S3 738.2135 NA PeJP NA NA +PJ024771 GGGPCCDM C26H42N8O11S3 738.2136 NA PeJP NA NA +PJ024772 CCCHHH C27H38N12O7S3 738.2149 NA PeJP NA NA +FL3FAAGS0070 Apigenin 7-rhamnosyl-(1->6)-(4''-E-p-methoxycinnamoylglucoside);7-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(4-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C37H38O16 738.21598 474658-75-8 knapsack NA NA +PJ024773 GCCMYY C31H42N6O9S3 738.2176 NA PeJP NA NA +PJ024774 SCNDDW C29H38N8O13S 738.2279 NA PeJP NA NA +PJ024775 PCCCQW C30H42N8O8S3 738.2288 NA PeJP NA NA +PJ024776 SSSNDDD C25H38N8O18 738.2304 NA PeJP NA NA +PJ024777 NNDDMM C26H42N8O13S2 738.2313 NA PeJP NA NA +PJ024778 SCMMMH C27H46N8O8S4 738.2322 NA PeJP NA NA +PJ024779 PDDDDY C30H38N6O16 738.2345 NA PeJP NA NA +PJ024780 STCCYY C31H42N6O11S2 738.2353 NA PeJP NA NA +FL3FABGS0019 Acacetin 7-(2G-rhamnosyl)-rutinoside;Apigenin 4'-methyl ether 7-(2G-rhamnosyl)-rutinoside;Neobudofficide;7-[(O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl]oxy)-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C34H42O18 738.23711 194602-91-0 knapsack NA NA +FL5F39GS0002 3,7-Dihydroxy-8-methylflavone 7-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside;7-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-3-hydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one C34H42O18 738.23711 261915-70-2 knapsack NA NA +MJ092538 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C34H42O18 738.237114 NA MeJP NA NA +MJ092539 Sucrose; 3'-O-(3,4,5-Trimethoxycinnamoyl), 6-O-(4-hydroxy-3-methoxycinnamoyl) C34H42O18 738.237114 NA MeJP NA NA +PJ024781 SDEEEM C27H42N6O16S 738.2378 NA PeJP NA NA +PJ024782 PDDMMM C28H46N6O11S3 738.2387 NA PeJP NA NA +PJ024783 CCNDER C25H42N10O12S2 738.2425 NA PeJP NA NA +PJ024784 GGGGGSCNM C25H42N10O12S2 738.2426 NA PeJP NA NA +PJ024785 NNDDDF C29H38N8O15 738.2457 NA PeJP NA NA +PJ024786 GCNEMW C30H42N8O10S2 738.2466 NA PeJP NA NA +PJ024787 GSSNDEM C26H42N8O15S 738.2491 NA PeJP NA NA +PJ024788 GSPCNMM C27H46N8O10S3 738.2499 NA PeJP NA NA +PJ024789 CNNDHH C27H38N12O11S 738.2504 NA PeJP NA NA +PJ024790 GCCFFY C35H42N6O8S2 738.2506 NA PeJP NA NA +PJ024791 PDDDMF C31H42N6O13S 738.2531 NA PeJP NA NA +PJ024792 AEEEMM C28H46N6O13S2 738.2565 NA PeJP NA NA +PJ024793 SDDEHH C28H38N10O14 738.2569 NA PeJP NA NA +MJ092540 Caymandimerine C44H38N2O9 738.25773 NA MeJP NA NA +MJ092541 Chelerythridimerine; N-De-Me C44H38N2O9 738.25773 NA MeJP NA NA +PJ024794 GCCDRW C29H42N10O9S2 738.2578 NA PeJP NA NA +PJ024795 GSSCDDR C25H42N10O14S 738.2603 NA PeJP NA NA +PJ024796 GPTCCCR C26H46N10O9S3 738.2612 NA PeJP NA NA +PJ024797 CNMWW C34H42N8O7S2 738.2618 NA PeJP NA NA +PJ024798 SSNDMW C30H42N8O12S 738.2643 NA PeJP NA NA +PJ024799 PCCCKW C31H46N8O7S3 738.2652 NA PeJP NA NA +PJ024800 SSSSNEE C26H42N8O17 738.2668 NA PeJP NA NA +PJ024801 SNQEMM C27H46N8O12S2 738.2677 NA PeJP NA NA +PJ024802 CQYYY C35H42N6O10S 738.2683 NA PeJP NA NA +PJ024803 SPDEEY C31H42N6O15 738.2708 NA PeJP NA NA +PJ024804 GEEEEF C31H42N6O15 738.2709 NA PeJP NA NA +PJ024805 PPCEMY C32H46N6O10S2 738.2717 NA PeJP NA NA +MJ092542 2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?3)-[4-methoxy-E-cinnamoyl-(?4)]-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C35H46O17 738.2735 NA MeJP NA NA +MJ092543 2-(4-Hydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-[4-hydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C35H46O17 738.2735 NA MeJP NA NA +PJ024806 TTEEEM C28H46N6O15S 738.2742 NA PeJP NA NA +PJ024807 PTEMMM C29H50N6O10S3 738.2751 NA PeJP NA NA +PJ024808 CNNNQF C29H42N10O11S 738.2755 NA PeJP NA NA +PJ024809 GGCNNQF C29H42N10O11S 738.2756 NA PeJP NA NA +PJ024810 GSSSSSNN C25H42N10O16 738.278 NA PeJP NA NA +PJ024811 GGGSSSSSN C25H42N10O16 738.2781 NA PeJP NA NA +PJ024812 SCNEMR C26H46N10O11S2 738.2789 NA PeJP NA NA +PJ024813 GSTCWW C34H42N8O9S 738.2796 NA PeJP NA NA +PJ024814 GSSSSEW C30H42N8O14 738.2821 NA PeJP NA NA +MJ092544 Rifamycin P C38H46N2O11S 738.282231 NA MeJP NA NA +PJ024815 GSQMMW C31H46N8O9S2 738.2829 NA PeJP NA NA +PJ024816 GGGTMMW C31H46N8O9S2 738.283 NA PeJP NA NA +PJ024817 GSSTQEM C27H46N8O14S 738.2854 NA PeJP NA NA +PJ024818 GGGSTTEM C27H46N8O14S 738.2855 NA PeJP NA NA +PJ024819 EEEFW C35H42N6O12 738.2861 NA PeJP NA NA +PJ024820 AQQMMM C28H50N8O9S3 738.2863 NA PeJP NA NA +PJ024821 SNNMHH C28H42N12O10S 738.2868 NA PeJP NA NA +MJ092545 Febrinin B; 30-O-Deacetyl, 30-O-propanoyl C39H46O14 738.288756 NA MeJP NA NA +MJ092546 Meliacarpinin; 11-Methoxy, 1-cinnamoyl, 3-Ac C39H46O14 738.288756 NA MeJP NA NA +PJ024822 APEEMY C32H46N6O12S 738.2895 NA PeJP NA NA +PJ024823 SCCDRR C25H46N12O10S2 738.2902 NA PeJP NA NA +PJ024824 EMHHW C33H42N10O8S 738.2908 NA PeJP NA NA +PJ024825 SLEEMM C29H50N6O12S2 738.2928 NA PeJP NA NA +PJ024826 GNDDRY C29H42N10O13 738.2933 NA PeJP NA NA +PJ024827 PVMMMM C30H54N6O7S4 738.2937 NA PeJP NA NA +PJ024828 GSCMRW C30H46N10O8S2 738.2942 NA PeJP NA NA +PJ024829 GDHHHH C30H38N14O9 738.2947 NA PeJP NA NA +PJ024830 CHFFW C38H42N8O6S 738.2948 NA PeJP NA NA +MJ092547 3,6,24-Trihydroxycholest-9(11)-en-23-one, 6-O-(6-Deoxy-4-O-sulfo-?-D-glucopyranoside), 3-O-sulfate C33H54O14S2 738.295497 NA MeJP NA NA +PJ024831 GSSSDMR C26H46N10O13S 738.2967 NA PeJP NA NA +PJ024832 SSSSWW C34H42N8O11 738.2973 NA PeJP NA NA +PJ024833 GNMMMR C27H50N10O8S3 738.2976 NA PeJP NA NA +PJ024834 SSTQMW C31H46N8O11S 738.3007 NA PeJP NA NA +PJ024835 SSSSDKE C27H46N8O16 738.3032 NA PeJP NA NA +PJ024836 SNKEMM C28H50N8O11S2 738.3041 NA PeJP NA NA +PJ024837 GSSSQHH C28H42N12O12 738.3045 NA PeJP NA NA +PJ024838 GGGSSTHH C28H42N12O12 738.3046 NA PeJP NA NA +PJ024839 CKYYY C36H46N6O9S 738.3047 NA PeJP NA NA +PJ024840 GLEEEY C32H46N6O14 738.3072 NA PeJP NA NA +PJ024841 PPTMMY C33H50N6O9S2 738.3081 NA PeJP NA NA +PJ024842 GPNEHW C33H42N10O10 738.3086 NA PeJP NA NA +PJ024843 ACCMRR C26H50N12O7S3 738.3088 NA PeJP NA NA +MJ092548 11,12-Epoxy-2,3,5,7,8,9,15-heptahydroxy-6(17)-jatrophen-14-one, 7-(2-Methylpropanoyl), 2,3,5,8,9,15-hexa-Ac C36H50O16 738.309885 NA MeJP NA NA +MJ092549 Terracinolide A; 6-Debenzoyl, 15-de-Ac, 6-Ac C36H50O16 738.309885 NA MeJP NA NA +MJ092550 Terracinolide A; 6-Debenzoyl, 3-de-Ac, 6-Ac C36H50O16 738.309885 NA MeJP NA NA +PJ024844 VVEMMM C30H54N6O9S3 738.3115 NA PeJP NA NA +PJ024845 SSTCRW C30H46N10O10S 738.3119 NA PeJP NA NA +PJ024846 GGGDMFR C30H46N10O10S 738.312 NA PeJP NA NA +PJ024847 GQYWW C38H42N8O8 738.3126 NA PeJP NA NA +PJ024848 SSSSSER C26H46N10O15 738.3144 NA PeJP NA NA +PJ024849 SSQMMR C27H50N10O10S2 738.3153 NA PeJP NA NA +PJ024850 QQMFW C35H46N8O8S 738.3159 NA PeJP NA NA +PJ024851 GAQMFW C35H46N8O8S 738.316 NA PeJP NA NA +PJ024852 ASSSTTW C31H46N8O13 738.3184 NA PeJP NA NA +PJ024853 GSSTTTW C31H46N8O13 738.3185 NA PeJP NA NA +MJ092551 Damalachawin C47H46O8 738.319268 NA MeJP NA NA +PJ024854 GSKMMW C32H50N8O8S2 738.3193 NA PeJP NA NA +PJ024855 GNQHHF C32H42N12O9 738.3198 NA PeJP NA NA +PJ024856 GSSTKEM C28H50N8O13S 738.3218 NA PeJP NA NA +PJ024857 LEEYW C36H46N6O11 738.3225 NA PeJP NA NA +PJ024858 AQKMMM C29H54N8O8S3 738.3227 NA PeJP NA NA +PJ024859 SCQKHH C29H46N12O9S 738.3232 NA PeJP NA NA +PJ024860 PNHWW C37H42N10O7 738.3238 NA PeJP NA NA +PJ024861 SPLEMY C33H50N6O11S 738.3258 NA PeJP NA NA +PJ024862 PVTEMY C33H50N6O11S 738.3259 NA PeJP NA NA +PJ024863 SSCMRR C26H50N12O9S2 738.3265 NA PeJP NA NA +PJ024864 CQFRW C34H46N10O7S 738.3272 NA PeJP NA NA +PJ024865 GSQERY C30H46N10O12 738.3297 NA PeJP NA NA +PJ024866 ALMMHH C31H50N10O7S2 738.3306 NA PeJP NA NA +PJ024867 ATHHHH C31H42N14O8 738.331 NA PeJP NA NA +PJ024868 GSSTTMR C27H50N10O12S 738.3331 NA PeJP NA NA +PJ024869 NKEYW C35H46N8O10 738.3337 NA PeJP NA NA +PJ024870 ACKMMR C28H54N10O7S3 738.3339 NA PeJP NA NA +PJ024871 SSTKMW C32H50N8O10S 738.3371 NA PeJP NA NA +PJ024872 SSSTTKE C28H50N8O15 738.3396 NA PeJP NA NA +PJ024873 SDKKMM C29H54N8O10S2 738.3405 NA PeJP NA NA +PJ024874 SPNEHR C29H46N12O11 738.3409 NA PeJP NA NA +PJ024875 GGGGGGLQH C29H46N12O11 738.341 NA PeJP NA NA +PJ024876 PPCLFY C37H50N6O8S 738.3411 NA PeJP NA NA +PJ024877 SVLEEY C33H50N6O13 738.3436 NA PeJP NA NA +PJ024878 PVVMMY C34H54N6O8S2 738.3445 NA PeJP NA NA +PJ024879 SQRYW C34H46N10O9 738.3449 NA PeJP NA NA +PJ024880 GGTRYW C34H46N10O9 738.345 NA PeJP NA NA +PJ024881 TLLMMM C31H58N6O8S3 738.3479 NA PeJP NA NA +PJ024882 AAQMRY C31H50N10O9S 738.3483 NA PeJP NA NA +PJ024883 GKYWW C39H46N8O7 738.349 NA PeJP NA NA +PJ024884 SSSTTTR C27H50N10O14 738.3508 NA PeJP NA NA +PJ024885 SSKMMR C28H54N10O9S2 738.3517 NA PeJP NA NA +PJ024886 GNQQHR C28H46N14O10 738.3522 NA PeJP NA NA +PJ024887 QKMFW C36H50N8O7S 738.3523 NA PeJP NA NA +PJ024888 GAKMFW C36H50N8O7S 738.3524 NA PeJP NA NA +PJ024889 GDKKEY C32H50N8O12 738.3548 NA PeJP NA NA +PJ024890 GGSLDKY C32H50N8O12 738.3549 NA PeJP NA NA +PJ024891 GSPHRW C33H46N12O8 738.3562 NA PeJP NA NA +8212 RL-Y6Y12/G6G12 - synthetic peptide AMRLTGNRPCIGAT 738.35765 MH2+ Inhouse_peptide NA peptide +PJ024892 SSSSLKM C29H54N8O12S 738.3582 NA PeJP NA NA +PJ024893 SPPLYY C37H50N6O10 738.3589 NA PeJP NA NA +PJ024894 AKKMMM C30H58N8O7S3 738.3591 NA PeJP NA NA +PJ024895 NMRRY C30H50N12O8S 738.3595 NA PeJP NA NA +PJ024896 GGMRRY C30H50N12O8S 738.3596 NA PeJP NA NA +PJ024897 LHHFW C38H46N10O6 738.3602 NA PeJP NA NA +MJ092552 Nimbolidin A; 1,7-Dideacyl, 1,7-ditigloyl C41H54O12 738.361527 NA MeJP NA NA +PJ024898 ALLEMY C34H54N6O10S 738.3622 NA PeJP NA NA +PJ024899 CKFRW C35H50N10O6S 738.3636 NA PeJP NA NA +PJ024900 GSKERY C31H50N10O11 738.3661 NA PeJP NA NA +PJ024901 DKKYW C36H50N8O9 738.3701 NA PeJP NA NA +PJ024902 APCHRR C29H50N14O7S 738.3708 NA PeJP NA NA +MJ092553 Nudicauline; O14-De-Ac, O14-(2-methylpropanoyl) C40H54N2O11 738.37276 NA MeJP NA NA +PJ024903 GLQKMY C33H54N8O9S 738.3735 NA PeJP NA NA +PJ024904 STTTTTK C29H54N8O14 738.376 NA PeJP NA NA +PJ024905 TTKKMM C30H58N8O9S2 738.3768 NA PeJP NA NA +PJ024906 GSTRRY C30H50N12O10 738.3773 NA PeJP NA NA +PJ024907 PVVMFF C38H54N6O7S 738.3775 NA PeJP NA NA +PJ024908 TTLLEY C34H54N6O12 738.38 NA PeJP NA NA +PJ024909 VVLMMF C35H58N6O7S2 738.3809 NA PeJP NA NA +PJ024910 SKRYW C35H50N10O8 738.3813 NA PeJP NA NA +PJ024911 GGGLLHW C35H50N10O8 738.3814 NA PeJP NA NA +MJ092554 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-xylo-hexopyranoside) C38H58O14 738.382656 NA MeJP NA NA +MJ092555 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-lyxo-hexopyranoside] C38H58O14 738.382656 NA MeJP NA NA +MJ092556 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside] C38H58O14 738.382656 NA MeJP NA NA +MJ092557 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-L-ribo-hexopyranoside] C38H58O14 738.382656 NA MeJP NA NA +MJ092558 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2-O-acetyl-3-O-methyl-?-L-rhamnopyranoside] C38H58O14 738.382656 NA MeJP NA NA +MJ092559 Abogenin; O-Glycoside C38H58O14 738.382656 NA MeJP NA NA +MJ092560 Spirosta-5,25(27)-diene-1,3,23,24-tetrol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C38H58O14 738.382656 NA MeJP NA NA +PJ024912 AAKMRY C32H54N10O8S 738.3847 NA PeJP NA NA +MJ092561 Stigmastane-3,6,8,15,16,29-hexol, 29-O-(6-O-Sulfo-?-D-glucopyranoside) C35H62O14S 738.386027 NA MeJP NA NA +PJ024913 ANNKHR C29H50N14O9 738.3885 NA PeJP NA NA +PJ024914 AAEHRR C29H50N14O9 738.3886 NA PeJP NA NA +PJ024915 KKMFW C37H54N8O6S 738.3887 NA PeJP NA NA +PJ024916 ATKKEY C33H54N8O11 738.3912 NA PeJP NA NA +PJ024917 GGAPPLLD C33H54N8O11 738.3913 NA PeJP NA NA +PJ024918 LQHRW C34H50N12O7 738.3926 NA PeJP NA NA +PJ024919 APLLYY C38H54N6O9 738.3953 NA PeJP NA NA +PJ024920 APKMHR C31H54N12O7S 738.396 NA PeJP NA NA +PJ024921 SLLLMY C35H58N6O9S 738.3986 NA PeJP NA NA +PJ024922 DHRRR C28H50N16O8 738.3998 NA PeJP NA NA +3433 NA QKIAEKFSGTRRG 738.39995 MH2+ Inhouse_peptide NA peptide +PJ024923 ATTKRY C32H54N10O10 738.4025 NA PeJP NA NA +PJ024924 PPVLQW C37H54N8O8 738.4065 NA PeJP NA NA +PJ024925 GLKKMY C34H58N8O8S 738.4099 NA PeJP NA NA +MJ092562 34-Ethylhuratoxin; 6,7-Deepoxy, 6-hydroxy, 7-chloro, 15,16,22,23,24,25-hexahydro, 5,20-di-Ac C40H63ClO10 738.410975 NA MeJP NA NA +PJ024926 PPVDRR C31H54N12O9 738.4137 NA PeJP NA NA +2658 synthetic fr,of human beta-CN (143-149) ACE inhibitor PQTLALP 738.414 NA Inhouse_peptide NA peptide +PJ024927 APPLRW C36H54N10O7 738.4177 NA PeJP NA NA +MJ092563 3,14,15-Trihydroxypregn-5-en-20-one, Glycoside C39H62O13 738.419042 NA MeJP NA NA +MJ092564 3,16,17-Trihydroxycholest-5-en-22-one, 16-O-[?-D-Xylopyranosyl-(1?3)-2-O-acetyl-?-L-arabinopyranoside] C39H62O13 738.419042 NA MeJP NA NA +MJ092565 3,20,25,28-Tetrahydroxystigmastane-6,16-dione, 3-O-?-D-Glucopyranoside, 25,28-Di-Ac C39H62O13 738.419042 NA MeJP NA NA +MJ092566 Nuatigenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C39H62O13 738.419042 NA MeJP NA NA +MJ092567 Polypodogenin; 3-O-?-D-Glucopyranoside, 26-O-?-L-rhamnopyranoside C39H62O13 738.419042 NA MeJP NA NA +MJ092568 Polypodogenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C39H62O13 738.419042 NA MeJP NA NA +MJ092569 Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C39H62O13 738.419042 NA MeJP NA NA +MJ092570 Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside] C39H62O13 738.419042 NA MeJP NA NA +MJ092571 Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C39H62O13 738.419042 NA MeJP NA NA +MJ092572 Spirost-5-ene-1,3-diol, 1-O-[?-D-Glucopyranosyl-(1?2)-?-D-fucopyranoside] C39H62O13 738.419042 NA MeJP NA NA +MJ092573 Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C39H62O13 738.419042 NA MeJP NA NA +MJ092574 Spirost-5-ene-3,14-diol, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C39H62O13 738.419042 NA MeJP NA NA +MJ092575 Spirost-5-ene-3,17-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C39H62O13 738.419042 NA MeJP NA NA +MJ092576 Spirost-5-ene-3,17-diol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C39H62O13 738.419042 NA MeJP NA NA +MJ092577 Spirost-5-ene-3,24-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C39H62O13 738.419042 NA MeJP NA NA +MJ092578 Spirost-5-ene-3,25-diol C39H62O13 738.419042 NA MeJP NA NA +MJ092579 Spirost-5-ene-3,27-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C39H62O13 738.419042 NA MeJP NA NA +PJ024928 PVKKMH C33H58N10O7S 738.4211 NA PeJP NA NA +PJ024929 GTLHRR C30H54N14O8 738.4249 NA PeJP NA NA +PJ024930 GGGKKHR C30H54N14O8 738.425 NA PeJP NA NA +PJ024931 STLKKY C34H58N8O10 738.4276 NA PeJP NA NA +MJ092580 Archazolide A C42H62N2O7S 738.427773 NA MeJP NA NA +PJ024932 LKHRW C35H54N12O6 738.429 NA PeJP NA NA +PJ024933 ALLLFY C39H58N6O8 738.4316 NA PeJP NA NA +MJ092581 Edeine; Edeine D C33H58N10O9 738.438823 NA MeJP NA NA +MJ092582 Lagatide C33H58N10O9 738.438823 NA MeJP NA NA +PJ024934 PPLKER C33H58N10O9 738.4389 NA PeJP NA NA +PJ024935 PPVLKW C38H58N8O7 738.4429 NA PeJP NA NA +PJ024936 LLLLMH C35H62N8O7S 738.4463 NA PeJP NA NA +PJ024937 PPTLRR C32H58N12O8 738.4501 NA PeJP NA NA +MJ092583 12-Oleanene-3,22,24,29-tetrol, 3-O-[?-D-Arabinopyranosyl-(1?3)-?-D-arabinopyranoside] C40H66O12 738.455427 NA MeJP NA NA +MJ092584 14-Apotirucallene-3,7,23,24,25-pentol, 7-O-(6-O-?-D-Acetylglucopyranoside), 3-Ac C40H66O12 738.455427 NA MeJP NA NA +MJ092585 20,24-Epoxydammarane-3,12,17,25-tetrol, 12-Ac, 3-O-[6-O-acetyl-?-D-glucopyranoside] C40H66O12 738.455427 NA MeJP NA NA +MJ092586 4-Methylcholesta-8,14-diene-3,23-diol, 3-O-[?-D-Galactopyranosyl(1?2)-?-D-galactopyranoside] C40H66O12 738.455427 NA MeJP NA NA +MJ092587 Antibiotic 5 C40H66O12 738.455427 NA MeJP NA NA +MJ092588 Cumingianoside G; 3,3'-Di-Ac C40H66O12 738.455427 NA MeJP NA NA +MJ092589 Cumingianoside G; 3,4'-Di-Ac C40H66O12 738.455427 NA MeJP NA NA +MJ092590 Cumingianoside G; 3,6'-Di-Ac C40H66O12 738.455427 NA MeJP NA NA +MJ092591 Roflamycoin C40H66O12 738.455427 NA MeJP NA NA +MJ092592 1,2-Di-O-acylglycerols; Glycerol 1,2-ditetradecanoate, 3-O-(6-Deoxy-6-sulfo-?-D-glucopyranoside) C37H70O12S 738.458798 NA MeJP NA NA +PJ024938 APPTLLK C35H62N8O9 738.464 NA PeJP NA NA +PJ024939 PLLLQR C34H62N10O8 738.4752 NA PeJP NA NA +PJ024940 GAPLLLR C34H62N10O8 738.4753 NA PeJP NA NA +PJ024941 PVVLRR C33H62N12O7 738.4865 NA PeJP NA NA +MJ092593 Antibiotic RK 955A C41H70O11 738.491813 NA MeJP NA NA +MJ092594 Stigmast-5-en-3-ol, 3-O-[?-D-Fructofuranosyl-(2?1)-?-D-glucopyranos-3-yl] ether C41H70O11 738.491813 NA MeJP NA NA +MJ092595 Stigmast-5-en-3-ol, O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C41H70O11 738.491813 NA MeJP NA NA +PJ024942 GPVLLLK C36H66N8O8 738.5004 NA PeJP NA NA +PJ024943 PLLLKR C35H66N10O7 738.5116 NA PeJP NA NA +MJ092596 Belamcandone B; Dihydro C46H74O7 738.543454 NA MeJP NA NA +MJ092597 Bacterioruberin; 3''-Deoxy, 2'',3''-didehydro, 3',4'-epoxide C50H74O4 738.55871 NA MeJP NA NA +MJ092598 Haloxanthin C50H74O4 738.55871 NA MeJP NA NA +MJ092599 Iristectorene A; Deacyl, 3-O-(11Z-octadecenoyl) C48H82O5 738.616225 NA MeJP NA NA +MetaCyc04084 2-methyl-6-solanyl-1,4-benzoquinone [] C52H82O2 738.631482 NA metacyc NA NA +MJ092600 3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,34-hexatriacontatetraene-1,15,19,23,27,31-hexol; 10,11-Dihydro, 11-hydroxy C45H86O7 738.637355 NA MeJP NA NA +2983 kinases inhibitor KKALHRQEAVDAL 738.91045 MH2+ Inhouse_peptide NA peptide +2997 kinases inhibitor KKALRHQEAVDAL 738.91045 MH2+ Inhouse_peptide NA peptide +MJ092601 Aplyzanzine A C25H33Br4N3O3 738.925542 NA MeJP NA NA +2953 mastoparan from venom of Vespula levissii INLKALAALAKKIL~ 738.99645 MH2+ Inhouse_peptide NA peptide +PJ024944 CCCCCCC C21H37N7O8S7 739.0749 NA PeJP NA NA +PJ024945 GCCCCDH C24H37N9O10S4 739.1547 NA PeJP NA NA +PJ024946 PPCCCCD C26H41N7O10S4 739.1798 NA PeJP NA NA +MJ092602 Bis[N-(2,6-diethylacetanilido)iminodiacetato]technetate(III)(1-) C32H40N4O10Tc(-) 739.189484 NA MeJP NA NA +PJ024947 GCCNNDD C24H37N9O14S2 739.1902 NA PeJP NA NA +PJ024948 GSCCCMH C25H41N9O9S4 739.191 NA PeJP NA NA +PJ024949 GSCDDDE C25H37N7O17S 739.1967 NA PeJP NA NA +PJ024950 GPCCDDM C26H41N7O12S3 739.1976 NA PeJP NA NA +PJ024951 SSTCCCH C25H41N9O11S3 739.2088 NA PeJP NA NA +PJ024952 SCDDDW C29H37N7O14S 739.212 NA PeJP NA NA +PJ024953 PCCCEW C30H41N7O9S3 739.2128 NA PeJP NA NA +PJ024954 SSSDDDD C25H37N7O19 739.2144 NA PeJP NA NA +PJ024955 NDDDMM C26H41N7O14S2 739.2153 NA PeJP NA NA +PJ024956 SPPCCCM C27H45N7O9S4 739.2162 NA PeJP NA NA +PJ024957 CCCQHF C29H41N9O8S3 739.2241 NA PeJP NA NA +PJ024958 GSCCNQE C25H41N9O13S2 739.2265 NA PeJP NA NA +PJ024959 CCDDER C25H41N9O13S2 739.2266 NA PeJP NA NA +PJ024960 NDDDDF C29H37N7O16 739.2297 NA PeJP NA NA +PJ024961 GCDEMW C30H41N7O11S2 739.2306 NA PeJP NA NA +PJ024962 GSSDDEM C26H41N7O16S 739.2331 NA PeJP NA NA +PJ024963 ASPCCEM C27H45N7O11S3 739.2339 NA PeJP NA NA +PJ024964 GSPCDMM C27H45N7O11S3 739.234 NA PeJP NA NA +PJ024965 CNDDHH C27H37N11O12S 739.2344 NA PeJP NA NA +MJ092603 Dactylocycline A; 3'-O-Ac C33H42ClN3O14 739.23553 NA MeJP NA NA +PJ024966 SCCNQW C29H41N9O10S2 739.2418 NA PeJP NA NA +PJ024967 SSSCNNE C25H41N9O15S 739.2443 NA PeJP NA NA +PJ024968 CNNQMM C26H45N9O10S3 739.2452 NA PeJP NA NA +PJ024969 CDMWW C34H41N7O8S2 739.2458 NA PeJP NA NA +PJ024970 SSDDMW C30H41N7O13S 739.2483 NA PeJP NA NA +PJ024971 PTCCMW C31H45N7O8S3 739.2492 NA PeJP NA NA +PJ024972 SSSSDEE C26H41N7O18 739.2508 NA PeJP NA NA +PJ024973 SNEEMM C27H45N7O13S2 739.2517 NA PeJP NA NA +PJ024974 CEYYY C35H41N5O11S 739.2523 NA PeJP NA NA +PJ024975 PCQMMM C28H49N7O8S4 739.2526 NA PeJP NA NA +PJ024976 GSPCCHH C28H41N11O9S2 739.2531 NA PeJP NA NA +PJ024977 CCNNMR C25H45N11O9S3 739.2564 NA PeJP NA NA +PJ024978 GSSSCNW C29H41N9O12S 739.2596 NA PeJP NA NA +PJ024979 CCCKHF C30H45N9O7S3 739.2604 NA PeJP NA NA +MJ092604 Lissoclinamide 4; 28,29-Didehydro C38H41N7O5S2 739.261058 NA MeJP NA NA +PJ024980 GSSSSSND C25H41N9O17 739.2621 NA PeJP NA NA +PJ024981 SCDEMR C26H45N9O12S2 739.2629 NA PeJP NA NA +PJ024982 GGGGGTTCM C26H45N9O12S2 739.263 NA PeJP NA NA +PJ024983 GPCDYW C34H41N7O10S 739.2636 NA PeJP NA NA +PJ024984 PCCMMR C27H49N9O7S4 739.2638 NA PeJP NA NA +PJ024985 GNEEEY C30H41N7O15 739.2661 NA PeJP NA NA +PJ024986 GSEMMW C31H45N7O10S2 739.267 NA PeJP NA NA +PJ024987 GSSTEEM C27H45N7O15S 739.2695 NA PeJP NA NA +PJ024988 AQEMMM C28H49N7O10S3 739.2703 NA PeJP NA NA +PJ024989 SNDMHH C28H41N11O11S 739.2708 NA PeJP NA NA +PJ024990 GSSCCQR C25H45N11O11S2 739.2742 NA PeJP NA NA +PJ024991 GCNNFW C33H41N9O9S 739.2748 NA PeJP NA NA +PJ024992 GDDDRY C29H41N9O14 739.2773 NA PeJP NA NA +PJ024993 SCCNKW C30H45N9O9S2 739.2782 NA PeJP NA NA +PJ024994 SSSSNQM C26H45N9O14S 739.2807 NA PeJP NA NA +PJ024995 NEEYW C34H41N7O12 739.2813 NA PeJP NA NA +PJ024996 GGEEYW C34H41N7O12 739.2814 NA PeJP NA NA +PJ024997 GDMMMR C27H49N9O9S3 739.2816 NA PeJP NA NA +PJ024998 SMMWW C35H45N7O7S2 739.2822 NA PeJP NA NA +PJ024999 SSTEMW C31H45N7O12S 739.2847 NA PeJP NA NA +PJ025000 AAMMMW C32H49N7O7S3 739.2856 NA PeJP NA NA +PJ025001 GTCHHW C32H41N11O8S 739.2861 NA PeJP NA NA +PJ025002 SSSTTEE C27H45N7O17 739.2872 NA PeJP NA NA +PJ025003 SDKEMM C28H49N7O12S2 739.2881 NA PeJP NA NA +PJ025004 GSSSEHH C28H41N11O13 739.2886 NA PeJP NA NA +PJ025005 TMYYY C36H45N5O10S 739.2887 NA PeJP NA NA +PJ025006 PCKMMM C29H53N7O7S4 739.289 NA PeJP NA NA +PJ025007 GQMMHH C29H45N11O8S2 739.2894 NA PeJP NA NA +PJ025008 SSSSCNR C25H45N11O13S 739.2919 NA PeJP NA NA +PJ025009 GSNNYW C33H41N9O11 739.2926 NA PeJP NA NA +PJ025010 CCCQKR C26H49N11O8S3 739.2928 NA PeJP NA NA +PJ025011 SPCDRY C30H45N9O11S 739.2959 NA PeJP NA NA +PJ025012 GGGQQMY C30H45N9O11S 739.296 NA PeJP NA NA +PJ025013 GEYWW C38H41N7O9 739.2966 NA PeJP NA NA +PJ025014 GSSSSSTQ C26H45N9O16 739.2984 NA PeJP NA NA +PJ025015 GGGSSSSTT C26H45N9O16 739.2985 NA PeJP NA NA +PJ025016 SSEMMR C27H49N9O11S2 739.2993 NA PeJP NA NA +PJ025017 NNNNQH C27H41N13O12 739.2998 NA PeJP NA NA +PJ025018 GSPMYW C35H45N7O9S 739.3 NA PeJP NA NA +PJ025019 GCMHHR C28H45N13O7S2 739.3007 NA PeJP NA NA +PJ025020 GDKEEY C31H45N7O14 739.3025 NA PeJP NA NA +PJ025021 ATTMMW C32H49N7O9S2 739.3033 NA PeJP NA NA +PJ025022 GAAPMMY C32H49N7O9S2 739.3034 NA PeJP NA NA +PJ025023 SSSHHW C32H41N11O10 739.3038 NA PeJP NA NA +PJ025024 SSSSLEM C28H49N7O14S 739.3058 NA PeJP NA NA +PJ025025 AKEMMM C29H53N7O9S3 739.3067 NA PeJP NA NA +PJ025026 GCNQRY C29H45N11O10S 739.3072 NA PeJP NA NA +PJ025027 PDHWW C37H41N9O8 739.3078 NA PeJP NA NA +PJ025028 GSSCCKR C26H49N11O10S2 739.3106 NA PeJP NA NA +PJ025029 CEFRW C34H45N9O8S 739.3112 NA PeJP NA NA +PJ025030 YWWW C42H41N7O6 739.3119 NA PeJP NA NA +PJ025031 GSEERY C30H45N9O13 739.3137 NA PeJP NA NA +PJ025032 APCMRY C31H49N9O8S2 739.3146 NA PeJP NA NA +PJ025033 AMFWW C39H45N7O6S 739.3152 NA PeJP NA NA +PJ025034 SSSSNKM C27H49N9O13S 739.3171 NA PeJP NA NA +PJ025035 DKEYW C35H45N7O11 739.3177 NA PeJP NA NA +PJ025036 ATMMMR C28H53N9O8S3 739.3179 NA PeJP NA NA +PJ025037 SCLMMR C28H53N9O8S3 739.318 NA PeJP NA NA +PJ025038 STCHHR C28H45N13O9S 739.3184 NA PeJP NA NA +PJ025039 NHHFW C36H41N11O7 739.3191 NA PeJP NA NA +PJ025040 TTTTMW C32H49N7O11S 739.3211 NA PeJP NA NA +PJ025041 TFFYY C40H45N5O9 739.3217 NA PeJP NA NA +PJ025042 STTTTTE C28H49N7O16 739.3236 NA PeJP NA NA +PJ025043 TTKEMM C29H53N7O11S2 739.3245 NA PeJP NA NA +PJ025044 SSNNRY C29H45N11O12 739.3249 NA PeJP NA NA +PJ025045 GGGGSSRY C29H45N11O12 739.325 NA PeJP NA NA +PJ025046 PPCMHR C30H49N11O7S2 739.3258 NA PeJP NA NA +PJ025047 SERYW C34H45N9O10 739.329 NA PeJP NA NA +PJ025048 CCCKKR C27H53N11O7S3 739.3292 NA PeJP NA NA +PJ025049 AAEMRY C31H49N9O10S 739.3323 NA PeJP NA NA +PJ025050 GGGGAKMY C31H49N9O10S 739.3324 NA PeJP NA NA +PJ025051 SVYWW C39H45N7O8 739.333 NA PeJP NA NA +PJ025052 GSSSSSTK C27H49N9O15 739.3348 NA PeJP NA NA +PJ025053 TTTMMR C28H53N9O10S2 739.3357 NA PeJP NA NA +PJ025054 GNQEHR C28H45N13O11 739.3362 NA PeJP NA NA +PJ025055 LQMYW C36H49N7O8S 739.3363 NA PeJP NA NA +PJ025056 GALMYW C36H49N7O8S 739.3364 NA PeJP NA NA +PJ025057 VTTQEY C32H49N7O13 739.3388 NA PeJP NA NA +PJ025058 ATKEEY C32H49N7O13 739.3389 NA PeJP NA NA +PJ025059 APKMMY C33H53N7O8S2 739.3397 NA PeJP NA NA +PJ025060 AAQQHW C33H45N11O9 739.3402 NA PeJP NA NA +PJ025061 SSTTTLM C29H53N7O13S 739.3422 NA PeJP NA NA +PJ025062 SLKMMM C30H57N7O8S3 739.3431 NA PeJP NA NA +PJ025063 DMRRY C30H49N11O9S 739.3436 NA PeJP NA NA +PJ025064 GPPHFW C38H45N9O7 739.3442 NA PeJP NA NA +PJ025065 CLRYW C35H49N9O7S 739.3476 NA PeJP NA NA +PJ025066 ATTERY C31H49N9O12 739.3501 NA PeJP NA NA +PJ025067 GVMMFR C32H53N9O7S2 739.351 NA PeJP NA NA +PJ025068 NQHRW C32H45N13O8 739.3514 NA PeJP NA NA +PJ025069 GGGAHRW C32H45N13O8 739.3515 NA PeJP NA NA +PJ025070 SSSTCKK C28H53N9O12S 739.3535 NA PeJP NA NA +MJ092605 Glabrin D C36H49N7O10 739.35409 NA MeJP NA NA +PJ025071 GTTLYW C36H49N7O10 739.3541 NA PeJP NA NA +PJ025072 CCKKKM C29H57N9O7S3 739.3543 NA PeJP NA NA +MJ092606 Kesarirhodin A; 3''-Deoxy C40H53NO12 739.356776 NA MeJP NA NA +PJ025073 GLKEMY C33H53N7O10S 739.3575 NA PeJP NA NA +PJ025074 GLEEHR C30H49N11O11 739.3613 NA PeJP NA NA +PJ025075 GGAAPPDR C30H49N11O11 739.3614 NA PeJP NA NA +PJ025076 MMFRR C31H53N11O6S2 739.3622 NA PeJP NA NA +PJ025077 GPHHHR C31H45N15O7 739.3627 NA PeJP NA NA +PJ025078 SPTLHW C35H49N9O9 739.3653 NA PeJP NA NA +MJ092607 Annomuricatin B C35H49N9O9 739.365324 NA MeJP NA NA +PJ025079 GVLEHW C35H49N9O9 739.3654 NA PeJP NA NA +PJ025080 GTLMRY C32H53N9O9S 739.3687 NA PeJP NA NA +PJ025081 PKFYW C40H49N7O7 739.3694 NA PeJP NA NA +PJ025082 GNKEHR C29H49N13O10 739.3726 NA PeJP NA NA +PJ025083 LKMYW C37H53N7O7S 739.3727 NA PeJP NA NA +PJ025084 PPPLMW C37H53N7O7S 739.3728 NA PeJP NA NA +PJ025085 STLKEY C33H53N7O12 739.3752 NA PeJP NA NA +PJ025086 GPPVLEE C33H53N7O12 739.3753 NA PeJP NA NA +PJ025087 ALKMMF C34H57N7O7S2 739.3761 NA PeJP NA NA +PJ025088 LEHRW C34H49N11O8 739.3766 NA PeJP NA NA +PJ025089 SPLMHR C31H53N11O8S 739.38 NA PeJP NA NA +PJ025090 VLHWW C39H49N9O6 739.3806 NA PeJP NA NA +PJ025091 GSQHRR C28H49N15O9 739.3838 NA PeJP NA NA +PJ025092 STTLRY C32H53N9O11 739.3865 NA PeJP NA NA +PJ025093 NKHRW C33H49N13O7 739.3878 NA PeJP NA NA +PJ025094 PPVLEW C37H53N7O9 739.3905 NA PeJP NA NA +PJ025095 SVLKMY C34H57N7O9S 739.3939 NA PeJP NA NA +PJ025096 SVLEHR C31H53N11O10 739.3977 NA PeJP NA NA +PJ025097 ATLLHW C36H53N9O8 739.4017 NA PeJP NA NA +PJ025098 GGPPVKW C36H53N9O8 739.4018 NA PeJP NA NA +MJ092608 Monamycins; Monamycin I C35H58ClN7O8 739.403539 NA MeJP NA NA +PJ025099 ACKKKY C33H57N9O8S 739.4051 NA PeJP NA NA +PJ025100 LKFFW C41H53N7O6 739.4058 NA PeJP NA NA +PJ025101 SPPQRR C30H53N13O9 739.4089 NA PeJP NA NA +PJ025102 PPTNRR C30H53N13O9 739.409 NA PeJP NA NA +PJ025103 APPTLLE C34H57N7O11 739.4116 NA PeJP NA NA +PJ025104 GPPKRW C35H53N11O7 739.413 NA PeJP NA NA +PJ025105 ALLMHR C32H57N11O7S 739.4164 NA PeJP NA NA +3921 aurein 1,2 GLFDIIKKIAESF~ 739.4174 MH2+ Inhouse_peptide NA peptide +PJ025106 GSKHRR C29H53N15O8 739.4202 NA PeJP NA NA +PJ025107 SSKKKY C33H57N9O10 739.4229 NA PeJP NA NA +PJ025108 GLLKFY C38H57N7O8 739.4269 NA PeJP NA NA +PJ025109 GPPLLLM C35H61N7O8S 739.4303 NA PeJP NA NA +PJ025110 TTLLHR C32H57N11O9 739.4341 NA PeJP NA NA +PJ025111 PVLKHF C37H57N9O7 739.4381 NA PeJP NA NA +PJ025112 VLLKMH C34H61N9O7S 739.4415 NA PeJP NA NA +PJ025113 SPPKRR C31H57N13O8 739.4453 NA PeJP NA NA +PJ025114 GAAPLRR C31H57N13O8 739.4454 NA PeJP NA NA +PJ025115 GPVLLLE C35H61N7O10 739.448 NA PeJP NA NA +MJ092609 Spirosolan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside] C39H65NO12 739.450676 NA MeJP NA NA +PJ025116 GPVRRR C30H57N15O7 739.4566 NA PeJP NA NA +PJ025117 PLLLER C34H61N9O9 739.4593 NA PeJP NA NA +PJ025118 PVLLLW C39H61N7O7 739.4633 NA PeJP NA NA +PJ025119 PRRRR C29H57N17O6 739.4678 NA PeJP NA NA +PJ025120 PVLQKR C33H61N11O8 739.4705 NA PeJP NA NA +PJ025121 APLKRR C32H61N13O7 739.4817 NA PeJP NA NA +PJ025122 APTLLLL C36H65N7O9 739.4844 NA PeJP NA NA +PJ025123 AAPLLKK C35H65N9O8 739.4956 NA PeJP NA NA +PJ025124 AAPILKK C35H65N9O8 739.4957 NA PeJP NA NA +PJ025125 PVLKKR C34H65N11O7 739.5069 NA PeJP NA NA +HMDB07943 PC(15:0/18:4(6Z,9Z,12Z,15Z)) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB08231 PC(18:4(6Z,9Z,12Z,15Z)/15:0) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB08844 PE(14:0/22:4(7Z,10Z,13Z,16Z)) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB08937 PE(16:0/20:4(5Z,8Z,11Z,14Z)) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB08938 PE(16:0/20:4(8Z,11Z,14Z,17Z)) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB08968 PE(16:1(9Z)/20:3(5Z,8Z,11Z)) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB08997 PE(18:0/18:4(6Z,9Z,12Z,15Z)) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB09028 PE(18:1(11Z)/18:3(6Z,9Z,12Z)) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB09029 PE(18:1(11Z)/18:3(9Z,12Z,15Z)) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB09061 PE(18:1(9Z)/18:3(6Z,9Z,12Z)) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB09062 PE(18:1(9Z)/18:3(9Z,12Z,15Z)) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB09093 PE(18:2(9Z,12Z)/18:2(9Z,12Z)) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB09124 PE(18:3(6Z,9Z,12Z)/18:1(11Z)) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB09125 PE(18:3(6Z,9Z,12Z)/18:1(9Z)) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB09157 PE(18:3(9Z,12Z,15Z)/18:1(11Z)) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB09158 PE(18:3(9Z,12Z,15Z)/18:1(9Z)) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB09189 PE(18:4(6Z,9Z,12Z,15Z)/18:0) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB09320 PE(20:3(5Z,8Z,11Z)/16:1(9Z)) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB09353 PE(20:3(8Z,11Z,14Z)/16:1(9Z)) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB09385 PE(20:4(5Z,8Z,11Z,14Z)/16:0) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB09418 PE(20:4(8Z,11Z,14Z,17Z)/16:0) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB09580 PE(22:4(7Z,10Z,13Z,16Z)/14:0) C41H74NO8P 739.515198 NA HMDB2010 NA NA +HMDB05323 GPEtn(16:0/20:4(5Z,8Z,11Z,14Z)) C41H74NO8P 739.5152 http://www.hmdb.ca/metabolites/HMDB05323 HMDB NA NA +HMDB05350 GPEtn(18:2(9Z,12Z)/18:2(9Z,12Z))[U] C41H74NO8P 739.5152 http://www.hmdb.ca/metabolites/HMDB05350 HMDB NA NA +HMDB05323 GPEtn(16:0/20:4(5Z,8Z,11Z,14Z)) C41H74NO8P 739.5152 HMDB05323 PFEM_hmdb_metabocards_official NA NA +HMDB05350 GPEtn(18:2(9Z,12Z)/18:2(9Z,12Z))[U] C41H74NO8P 739.5152 HMDB05350 PFEM_hmdb_metabocards_official NA NA +EUR956 PC 34:4 [M-H-CH3]- C42H76NO8P 739.515207 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR956 PC 34:4 [M-H-CH3]- C42H76NO8P 739.515207 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR956 PC 34:4 [M-H-CH3]- C42H76NO8P 739.515207 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR956 PC 34:4 [M-H-CH3]- C42H76NO8P 739.515207 masses lipides attendues Inhousejuil11 NA NA +PJ025126 GVLLLLL C37H69N7O8 739.5208 NA PeJP NA NA +PJ025127 LLLLLR C36H69N9O7 739.532 NA PeJP NA NA +HMDB08192 PC(18:3(6Z,9Z,12Z)/P-16:0) C42H78NO7P 739.551575 NA HMDB2010 NA NA +HMDB08225 PC(18:3(9Z,12Z,15Z)/P-16:0) C42H78NO7P 739.551575 NA HMDB2010 NA NA +HMDB11212 PC(P-16:0/18:3(6Z,9Z,12Z)) C42H78NO7P 739.551575 NA HMDB2010 NA NA +HMDB11213 PC(P-16:0/18:3(9Z,12Z,15Z)) C42H78NO7P 739.551575 NA HMDB2010 NA NA +MJ092610 2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxyheptadecanoyl), 1-O-?-D-glucopyranoside C42H77NO9 739.559833 NA MeJP NA NA +HMDB06229 5-Diphosphoinositol pentakisphosphate C6H19O27P7 739.827698 NA HMDB2010 NA NA +HMDB06229 5-Diphosphoinositol pentakisphosphate C6H19O27P7 739.8277 http://www.hmdb.ca/metabolites/HMDB06229 HMDB NA NA +C11174 1-Diphosinositol pentakisphosphate C6H19O27P7 739.8277 NA KEGG NA NA +C11526 5-PP-InsP5 C6H19O27P7 739.8277 NA KEGG NA NA +HMDB06229 5-Diphosphoinositol pentakisphosphate C6H19O27P7 739.8277 HMDB06229 PFEM_hmdb_metabocards_official NA NA +MetaCyc04085 5-diphospho-1D-myo-inositol (1,2,3,4,6)pentakisphosphate [5-diphospho-1D-myo-inositol pentakisphosphate;] C6H19O27P7 739.827701 NA metacyc NA NA +MetaCyc04086 diphosphoinositol pentakisphosphate [5-PP-InsP5;] C6H19O27P7 739.827701 NA metacyc NA NA +5455 aurein 1,2 GLFDIIKKIAESF 739.90945 MH2+ Inhouse_peptide NA peptide +MJ092611 Leptosin C C32H32N6O7S4 740.12153 NA MeJP NA NA +MJ092612 Leptosin I C32H32N6O7S4 740.12153 NA MeJP NA NA +C10233 Kandelin A-1 C39H32O15 740.1741 NA KEGG NA NA +MJ092613 Astragalin; 2'',4''-Bis-O-(4-hydroxycinnamoyl) C39H32O15 740.17412 NA MeJP NA NA +MJ092614 Astragalin; 2'',6''-Bis-O-(4-hydroxycinnamoyl) C39H32O15 740.17412 NA MeJP NA NA +MJ092615 Astragalin; 2'',6''-Bis-O-E-(4-hydroxycinnamoyl) C39H32O15 740.17412 NA MeJP NA NA +MJ092616 Astragalin; 2''-O-Z-(4-Hydroxycinnamoyl), 6''-O-E-(4-hydroxycinnamoyl) C39H32O15 740.17412 NA MeJP NA NA +MJ092617 Astragalin; 3'',6''-Bis-O-(4-hydroxy-Z-cinnamoyl) C39H32O15 740.17412 NA MeJP NA NA +MJ092618 Astragalin; 3'',6''-Bis-O-(4-hydroxycinnamoyl) C39H32O15 740.17412 NA MeJP NA NA +MJ092619 Cinchonain IIa C39H32O15 740.17412 NA MeJP NA NA +MJ092620 Trifolin; 3'',6''-Bis-O-(4-hydroxycinnamoyl) C39H32O15 740.17412 NA MeJP NA NA +FL5FAAGL0072 Kaempferol 3-(2'',6''-di-(E)-p-coumarylglucoside) C39H32O15 740.17412 121651-61-4 knapsack NA NA +FL5FAAGL0073 Kaempferol 3-(2''-(Z)-p-coumaryl-6''-(E)-p-coumarylglucoside) C39H32O15 740.17412 137120-98-0 knapsack NA NA +FL5FAAGL0074 Kaempferol 3-(3'',6''-di-p-coumarylglucoside) C39H32O15 740.17412 162120-53-8 knapsack NA NA +FL5FAAGS0109 Stenopalustroside A;Kaempfero 3-(3'',6''-di-(Z)-p-coumaroylglucoside);3-[[3,6-bis-O-[(2Z)-3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C39H32O15 740.17412 218614-71-2 knapsack NA NA +PJ025128 GCCNDDD C24H36N8O15S2 740.1742 NA PeJP NA NA +PJ025129 CCCCFY C30H40N6O8S4 740.1791 NA PeJP NA NA +MJ092621 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside), 5-O-?-D-glucopyranoside C32H37O20(+) 740.179993 NA MeJP NA NA +MJ092622 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-malonyl-?-D-glucopyranoside) C32H37O20(+) 740.179993 NA MeJP NA NA +MJ092623 Mohsenone C43H32O12 740.189376 NA MeJP NA NA +PJ025130 SPCCCND C25H40N8O12S3 740.1928 NA PeJP NA NA +FL3FAACS0063 Isoschaftoside 2'''-ferulate C36H36O17 740.19524 80754-94-5 knapsack NA NA +FL3FAACS0081 Isovitexin 2''-O-(6'''-(E)-p-coumaroyl)glucoside C36H36O17 740.19524 220948-76-5 knapsack NA NA +FL3FAADS0018 Vitexin 7-O-glucoside 2''-p-coumarate C36H36O17 740.19524 93446-17-4 knapsack NA NA +FL3FAADS0044 Isovitexin 7-O-(6'''-O-E-p-coumaroyl)glucoside C36H36O17 740.19524 496788-49-9 knapsack NA NA +FL3FAAGN0003 Apigenin 7-rutinoside-4'-trans-caffeate C36H36O17 740.19524 14637-28-6 knapsack NA NA +FL5FAAGA0034 Kaempferol 3-(4''-(Z)-p-coumarylrobinobioside) C36H36O17 740.19524 115794-36-0 knapsack NA NA +FL5FAAGA0035 Kaempferol 3-(4''-(E)-p-coumarylrobinobioside) C36H36O17 740.19524 115713-36-5 knapsack NA NA +FL5FAAGL0082 Kaempferol 3-rhamnosyl-(1->6)(2''-p-coumarylglucoside) C36H36O17 740.19524 - knapsack NA NA +FL5FAAGS0061 Kaempferol 3-[6'''-p-coumarylglucosyl-(1->2)-rhamnoside] C36H36O17 740.19524 107190-70-5<BR>111957-48-3 knapsack NA NA +FL5FAAGS0115 Kaempferol 3-(2G-(E)-p-coumaroylrutinoside);3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C36H36O17 740.19524 194292-74-5 knapsack NA NA +FL5FCAGL0008 Rhamnocitrin 3-(5'''-p-coumarylapiosyl)-(1->2)-glucoside C36H36O17 740.19524 147899-34-1 knapsack NA NA +MJ092624 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-O-?-D-Glucopyranoside C36H36O17 740.195249 NA MeJP NA NA +MJ092625 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3-O-?-D-Glucopyranoside C36H36O17 740.195249 NA MeJP NA NA +MJ092626 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 7-O-?-D-Glucopyranoside C36H36O17 740.195249 NA MeJP NA NA +MJ092627 3,4',5,7-Tetrahydroxyflavone; 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C36H36O17 740.195249 NA MeJP NA NA +MJ092628 3,4',5,7-Tetrahydroxyflavone; 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C36H36O17 740.195249 NA MeJP NA NA +MJ092629 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxy-E-cinnamoyl-(?4)]-?-D-galactopyranoside] C36H36O17 740.195249 NA MeJP NA NA +MJ092630 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxy-Z-cinnamoyl-(?4)]-?-D-galactopyranoside] C36H36O17 740.195249 NA MeJP NA NA +MJ092631 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxycinnamoyl-(?4)]-?-D-glucopyranoside] C36H36O17 740.195249 NA MeJP NA NA +MJ092632 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[4-Hydroxycinnamoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C36H36O17 740.195249 NA MeJP NA NA +MJ092633 6-Glucopyranosylprocyanidin B C36H36O17 740.195249 NA MeJP NA NA +MJ092634 8-Glucopyranosylprocyanidin B C36H36O17 740.195249 NA MeJP NA NA +MJ092635 Afzelin; 2''-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl] C36H36O17 740.195249 NA MeJP NA NA +MJ092636 Cosmosiin; 6''-O-?-L-Rhamnopyranosyl, 4'-O-(3,4-dihydroxycinnamoyl) C36H36O17 740.195249 NA MeJP NA NA +MJ092637 Isoschaftoside; 2'''-O-(4-Hydroxy-3-methoxycinnamoyl) C36H36O17 740.195249 NA MeJP NA NA +MJ092638 Vitexin; 2''-O-(4-Hydroxycinnamoyl), 7-O-?-D-glucopyranoside C36H36O17 740.195249 NA MeJP NA NA +MJ092639 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C36H37O17(+) 740.195249 NA MeJP NA NA +PJ025131 SCCCYY C30H40N6O10S3 740.1968 NA PeJP NA NA +PJ025132 DDDDMM C26H40N6O15S2 740.1993 NA PeJP NA NA +PJ025133 GCCCNNQ C24H40N10O11S3 740.204 NA PeJP NA NA +PJ025134 GGGCCCNQ C24H40N10O11S3 740.2041 NA PeJP NA NA +PJ025135 CCCEHF C29H40N8O9S3 740.2081 NA PeJP NA NA +PJ025136 GSCNDDM C25H40N8O14S2 740.2106 NA PeJP NA NA +PJ025137 GPCCCQM C26H44N8O9S4 740.2114 NA PeJP NA NA +PJ025138 GGAPCCCM C26H44N8O9S4 740.2115 NA PeJP NA NA +PJ025139 DDDDDF C29H36N6O17 740.2137 NA PeJP NA NA +FL3FAADS0014 Vitexin 4'-O-glucoside-2''-O-rhamnoside C33H40O19 740.21637 87440-81-1 knapsack NA NA +FL3FAADS0015 Isovitexin 7-O-glucoside-2''-O-rhamnoside C33H40O19 740.21637 84924-39-0 knapsack NA NA +FL3FAADS0028 Vitexin 7-O-rutinoside C33H40O19 740.21637 61527-72-8 knapsack NA NA +FL3FAADS0029 Isovitexin 7-O-galactoside-2''-O-rhamnoside C33H40O19 740.21637 72050-96-5 knapsack NA NA +FL3FAAGS0030 Apigenin 7-rutinoside-4'-glucoside C33H40O19 740.21637 - knapsack NA NA +FL3FAAGS0031 Apigenin 7-neohesperidoside-4'-glucoside C33H40O19 740.21637 31498-83-6 knapsack NA NA +FL3FAAGS0060 Apigenin 7-O-(2G-rhamnosyl)gentiobioside C33H40O19 740.21637 - knapsack NA NA +FL3FCACS0027 6,8-Di-C-glucosylgenkwanin 2'''-O-xyloside C33H40O19 740.21637 128197-78-4 knapsack NA NA +FL5FAAGA0014 Kaempferol 3-rhamninoside C33H40O19 740.21637 83170-31-4 knapsack NA NA +FL5FAAGA0015 Kaempferol 3-isorhamninoside C33H40O19 740.21637 123618-28-0 knapsack NA NA +FL5FAAGA0018 Mauritianin C33H40O19 740.21637 109008-28-8 knapsack NA NA +FL5FAAGA0022 Kaempferol 3-rhamnosyl-(1->2)-galactoside-7-rhamnoside C33H40O19 740.21637 124027-49-2 knapsack NA NA +FL5FAAGA0024 Robinin C33H40O19 740.21637 301-19-9<BR>81992-85-0 knapsack NA NA +FL5FAAGL0024 Kaempferol 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside C33H40O19 740.21637 32602-83-8 knapsack NA NA +FL5FAAGL0025 Kaempferol 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside C33H40O19 740.21637 64717-46-0 knapsack NA NA +FL5FAAGL0032 Clitorin C33H40O19 740.21637 55804-74-5 knapsack NA NA +FL5FAAGL0043 Kaempferol 3-neohesperidoside-7-rhamnoside;Kaempferol 3-O-alpha-rhamnopyranosyl-(1->2)-beta-glucopyranoside-7-O-alpha-rhamnopyranoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C33H40O19 740.21637 162062-89-7 knapsack NA NA +FL5FAAGL0046 Kaempferol 3-rutinoside-7-rhamnoside C33H40O19 740.21637 57526-56-4 knapsack NA NA +FL5FAAGL0053 Kaempferol 3-glucoside-7,4'-dirhamnoside C33H40O19 740.21637 87562-19-4 knapsack NA NA +FL5FAAGS0041 Kaempferol 3-glucosyl-(1->3)-rhamnoside-7-rhamnoside C33H40O19 740.21637 89964-54-5 knapsack NA NA +FL5FAAGS0043 Kaempferol 3-rhamnoside-7-glucosyl-(1->2)-rhamnoside;Grosvenorin;Grosvenorine;7-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C33H40O19 740.21637 156980-60-8 knapsack NA NA +FL5FAAGS0044 Kaempferol 4'-rhamninoside C33H40O19 740.21637 154623-31-1 knapsack NA NA +FL5FAAGS0079 Kaempferol 3-rhamnosyl-(1->3)-rhamnosyl-(1->6)-glucoside;3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C33H40O19 740.21637 312731-16-1 knapsack NA NA +FL5FCAGS0008 Kaempferol 7-methyl ether 3-xylosyl-(1->2)-[rhamnosyl-(1->6)-glucoside];3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-xylopyranosyl-(1->2)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C33H40O19 740.21637 319481-53-3 knapsack NA NA +FL5FCAGS0009 Kaempferol 7-methyl ether 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside];3-[(O-D-apio-beta-D-furanosyl-(1->6)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->3)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C33H40O19 740.21637 221685-99-0 knapsack NA NA +MJ092640 1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 1-O-[?-L-arabinopyranosyl-(1?3)-[?-D-galactopyranosyl-(1?6)]-?-D-galactopyranoside] C33H40O19 740.216379 NA MeJP NA NA +MJ092641 1,8-Dihydroxy-3-methylanthraquinone; 1-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C33H40O19 740.216379 NA MeJP NA NA +MJ092642 3,4',5,7-Tetrahydroxyflavone; 3-O-[Rhamnosyl-(1??)-galactoside], 7-O-?-L-rhamnopyranoside C33H40O19 740.216379 NA MeJP NA NA +MJ092643 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnofuranosyl-(1?6)-?-D-galactofuranoside], 7-O-?-L-rhamnofuranoside C33H40O19 740.216379 NA MeJP NA NA +MJ092644 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-L-rhamnopyranoside C33H40O19 740.216379 NA MeJP NA NA +MJ092645 3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-[?-D-glucopyranosyl-(??)-?-L-rhamnopyranoside] C33H40O19 740.216379 NA MeJP NA NA +MJ092646 3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-[?-L-rhamnopyranosyl-?-D-glucopyranoside] C33H40O19 740.216379 NA MeJP NA NA +MJ092647 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?6)[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] C33H40O19 740.216379 NA MeJP NA NA +MJ092648 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C33H40O19 740.216379 NA MeJP NA NA +MJ092649 4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside C33H40O19 740.216379 NA MeJP NA NA +MJ092650 4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside C33H40O19 740.216379 NA MeJP NA NA +MJ092651 ?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C33H40O19 740.216379 NA MeJP NA NA +MJ092652 Afzelin; 7-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C33H40O19 740.216379 NA MeJP NA NA +MJ092653 Astragalin; 4',7-Di-O-?-L-rhamnopyranoside C33H40O19 740.216379 NA MeJP NA NA +MJ092654 Astragalin; 6''-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl] C33H40O19 740.216379 NA MeJP NA NA +MJ092655 Astragalin; 6''-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl] C33H40O19 740.216379 NA MeJP NA NA +MJ092656 Cosmosiin; 2''-O-?-L-Rhamnopyranosyl, 6''-O-?-D-glucopyranosyl C33H40O19 740.216379 NA MeJP NA NA +MJ092657 Cosmosiin; 6''-O-?-L-Rhamnopyranosyl, 4'-O-?-D-glucofuranoside C33H40O19 740.216379 NA MeJP NA NA +MJ092658 Isovitexin; 2''-O-?-L-Rhamnopyranosyl, 7-O-?-D-galactopyranoside C33H40O19 740.216379 NA MeJP NA NA +MJ092659 Isovitexin; 2''-O-?-L-Rhamnopyranosyl, 7-O-?-D-glucopyranoside C33H40O19 740.216379 NA MeJP NA NA +MJ092660 Isovitexin; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C33H40O19 740.216379 NA MeJP NA NA +MJ092661 Isovitexin; O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C33H40O19 740.216379 NA MeJP NA NA +MJ092662 Trifolin; 2'',6''-Di-O-?-L-rhamnopyranosyl C33H40O19 740.216379 NA MeJP NA NA +MJ092663 Trifolin; 6''-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl] C33H40O19 740.216379 NA MeJP NA NA +MJ092664 Trifolin; 6''-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl] C33H40O19 740.216379 NA MeJP NA NA +MJ092665 Vicenin 2; 2'''-O-Xylosyl, 7-Me ether C33H40O19 740.216379 NA MeJP NA NA +MJ092666 Vitexin; 2''-O-?-L-Rhamnopyranosyl, 4'-O-?-D-glucopyranoside C33H40O19 740.216379 NA MeJP NA NA +MJ092667 Vitexin; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C33H40O19 740.216379 NA MeJP NA NA +MJ092668 ?-Rhamnoisorobin; 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranoside] C33H40O19 740.216379 NA MeJP NA NA +MJ092669 ?-Rhamnoisorobin; 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C33H40O19 740.216379 NA MeJP NA NA +MJ092670 ?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C33H40O19 740.216379 NA MeJP NA NA +MJ092671 ?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-glucopyranoside] C33H40O19 740.216379 NA MeJP NA NA +MJ092672 ?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C33H40O19 740.216379 NA MeJP NA NA +MJ092673 ?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-D-glucopyranoside] C33H40O19 740.216379 NA MeJP NA NA +MJ092674 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C33H41O19(+) 740.216379 NA MeJP NA NA +MJ092675 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C33H41O19(+) 740.216379 NA MeJP NA NA +C10178 Robinin C33H40O19 740.2164 NA KEGG NA NA +PJ025140 CDDDHH C27H36N10O13S 740.2184 NA PeJP NA NA +PJ025141 SSCCNNN C24H40N10O13S2 740.2218 NA PeJP NA NA +PJ025142 GPCCCCR C25H44N10O8S4 740.2227 NA PeJP NA NA +PJ025143 SCCNEW C29H40N8O11S2 740.2258 NA PeJP NA NA +MJ092676 Lipopurealins; Lipopurealin B C32H50Br2N6O4 740.226029 NA MeJP NA NA +PJ025144 SSSCNDE C25H40N8O16S 740.2283 NA PeJP NA NA +PJ025145 CNNEMM C26H44N8O11S3 740.2292 NA PeJP NA NA +MJ092677 Ferrichrome C27H42FeN9O12 740.230234 NA MeJP NA NA +PJ025146 PCDDEY C30H40N6O14S 740.2324 NA PeJP NA NA +PJ025147 SDEEMM C27H44N6O14S2 740.2357 NA PeJP NA NA +PJ025148 PCEMMM C28H48N6O9S4 740.2366 NA PeJP NA NA +PJ025149 CCNDMR C25H44N10O10S3 740.2404 NA PeJP NA NA +PJ025150 GGGGGCCCK C25H44N10O10S3 740.2405 NA PeJP NA NA +PJ025151 GSCCWW C33H40N8O8S2 740.2411 NA PeJP NA NA +PJ025152 GSSSCDW C29H40N8O13S 740.2436 NA PeJP NA NA +PJ025153 GCNMMW C30H44N8O8S3 740.2445 NA PeJP NA NA +PJ025154 GSSSSSDD C25H40N8O18 740.2461 NA PeJP NA NA +MJ092678 Phleichrome; 14,21-Diepimer, 14-(3-hydroxybutanoyl), 21-benzoyl C41H40O13 740.246891 NA MeJP NA NA +PJ025155 ASTCCQE C26H44N8O13S2 740.2469 NA PeJP NA NA +PJ025156 GSSNDMM C26H44N8O13S2 740.247 NA PeJP NA NA +PJ025157 GPCCCKM C27H48N8O8S4 740.2478 NA PeJP NA NA +PJ025158 CCNQHH C27H40N12O9S2 740.2483 NA PeJP NA NA +PJ025159 GDEEEY C30H40N6O16 740.2501 NA PeJP NA NA +PJ025160 PCDEMF C31H44N6O11S2 740.251 NA PeJP NA NA +MJ092679 Ilexrotunin C34H44O18 740.252764 NA MeJP NA NA +PJ025161 AEEMMM C28H48N6O11S3 740.2543 NA PeJP NA NA +PJ025162 CNNNNY C28H40N10O12S 740.2548 NA PeJP NA NA +PJ025163 ACCCRW C29H44N10O7S3 740.2557 NA PeJP NA NA +PJ025164 GSSCCER C25H44N10O12S2 740.2582 NA PeJP NA NA +PJ025165 GCNDFW C33H40N8O10S 740.2588 NA PeJP NA NA +PJ025166 SNNDEY C29H40N8O15 740.2613 NA PeJP NA NA +PJ025167 GGGGSDEY C29H40N8O15 740.2614 NA PeJP NA NA +MJ092680 Tocinoic acid C30H44N8O10S2 740.262181 NA MeJP NA NA +PJ025168 SSCQMW C30H44N8O10S2 740.2622 NA PeJP NA NA +PJ025169 SSSSNEM C26H44N8O15S 740.2647 NA PeJP NA NA +PJ025170 DEEYW C34H40N6O13 740.2654 NA PeJP NA NA +PJ025171 SNQMMM C27H48N8O10S3 740.2656 NA PeJP NA NA +PJ025172 GSSCNHH C27H40N12O11S 740.266 NA PeJP NA NA +PJ025173 GGGSSCHH C27H40N12O11S 740.2661 NA PeJP NA NA +MJ092681 Febrinin B; 2',3'-Epoxide C38H44O15 740.26802 NA MeJP NA NA +PJ025174 SPDEMY C31H44N6O13S 740.2687 NA PeJP NA NA +PJ025175 PPCMMY C32H48N6O8S3 740.2696 NA PeJP NA NA +PJ025176 TTEEMM C28H48N6O13S2 740.2721 NA PeJP NA NA +PJ025177 GSPNDDH C28H40N10O14 740.2726 NA PeJP NA NA +PJ025178 PTMMMM C29H52N6O8S4 740.273 NA PeJP NA NA +PJ025179 SSCCRW C29H44N10O9S2 740.2734 NA PeJP NA NA +PJ025180 GEMMHH C29H44N10O9S2 740.2735 NA PeJP NA NA +PJ025181 SSSSCDR C25H44N10O14S 740.2759 NA PeJP NA NA +PJ025182 GSNDYW C33H40N8O12 740.2766 NA PeJP NA NA +PJ025183 SCNMMR C26H48N10O9S3 740.2768 NA PeJP NA NA +PJ025184 GCMHFF C34H44N8O7S2 740.2775 NA PeJP NA NA +PJ025185 GSSSSMW C30H44N8O12S 740.28 NA PeJP NA NA +PJ025186 ACCKMW C31H48N8O7S3 740.2808 NA PeJP NA NA +PJ025187 GSSSSSTE C26H44N8O17 740.2825 NA PeJP NA NA +PJ025188 GSSTQMM C27H48N8O12S2 740.2833 NA PeJP NA NA +PJ025189 NNNNEH C27H40N12O13 740.2838 NA PeJP NA NA +PJ025190 EEMFW C35H44N6O10S 740.284 NA PeJP NA NA +PJ025191 CCNKHH C28H44N12O8S2 740.2847 NA PeJP NA NA +PJ025192 ATEEEY C31H44N6O15 740.2865 NA PeJP NA NA +PJ025193 APEMMY C32H48N6O10S2 740.2874 NA PeJP NA NA +PJ025194 GDEHHF C32H40N10O11 740.2878 NA PeJP NA NA +PJ025195 TCCCRR C25H48N12O8S3 740.2881 NA PeJP NA NA +PJ025196 MMHHW C33H44N10O6S2 740.2887 NA PeJP NA NA +MJ092682 2,4,8,9,12,14-Hexahydroxy-5-briaren-18,7-olid-16-oic acid; 4-(3-Acetoxybutanoyl), 2,9,12,14-tetra-Ac, Me ester C35H48O17 740.28915 NA MeJP NA NA +MJ092683 Nannochelin C C36H44N4O13 740.290487 NA MeJP NA NA +PJ025197 SLEMMM C29H52N6O10S3 740.2907 NA PeJP NA NA +PJ025198 GCNERY C29H44N10O11S 740.2912 NA PeJP NA NA +PJ025199 ACHHHH C30H40N14O7S 740.2926 NA PeJP NA NA +MJ092684 3,5,7,13,15,18-Hexahydroxy-6,12-cyclo-14-lathyrone; 3,18-Bis(3-pyridinecarbonyl), 5-benzoyl, 7-Ac C41H44N2O11 740.29451 NA MeJP NA NA +PJ025200 GSSTCMR C26H48N10O11S2 740.2946 NA PeJP NA NA +PJ025201 NQMYW C34H44N8O9S 740.2952 NA PeJP NA NA +PJ025202 SSSSSTW C30H44N8O14 740.2977 NA PeJP NA NA +HMDB01929 Levofloxacin C36H42F2N6O9 740.29816 http://www.hmdb.ca/metabolites/HMDB01929 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01929 Levofloxacin C36H42F2N6O9 740.29816 http://www.hmdb.ca/metabolites/HMDB01929 HMDB NA NA +HMDB01929 Levofloxacin C36H42F2N6O9 740.29816 http://www.hmdb.ca/metabolites/HMDB01929 PFEM_hmdb_metabocards_blood NA blood +HMDB01929 Levofloxacin C36H42F2N6O9 740.29816 HMDB01929 PFEM_hmdb_metabocards_official NA NA +PJ025203 SSCKMW C31H48N8O9S2 740.2986 NA PeJP NA NA +PJ025204 GNNNHW C31H40N12O10 740.2991 NA PeJP NA NA +PJ025205 SSSSDKM C27H48N8O14S 740.3011 NA PeJP NA NA +PJ025206 SPPDYY C35H44N6O12 740.3017 NA PeJP NA NA +PJ025207 GPEEFY C35H44N6O12 740.3018 NA PeJP NA NA +PJ025208 SNKMMM C28H52N8O9S3 740.302 NA PeJP NA NA +PJ025209 PCNDHR C28H44N12O10S 740.3024 NA PeJP NA NA +PJ025210 PPCMFF C36H48N6O7S2 740.3026 NA PeJP NA NA +PJ025211 DHHFW C36H40N10O8 740.3031 NA PeJP NA NA +MJ092685 4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 5-Cinnamoyl, 2,7,9,10,13-penta-Ac C39H48O14 740.304406 NA MeJP NA NA +PJ025212 GLEEMY C32H48N6O12S 740.3051 NA PeJP NA NA +PJ025213 PCLMMF C33H52N6O7S3 740.306 NA PeJP NA NA +PJ025214 CNRYW C33H44N10O8S 740.3064 NA PeJP NA NA +PJ025215 GGCRYW C33H44N10O8S 740.3065 NA PeJP NA NA +PJ025216 SSNDRY C29H44N10O13 740.309 NA PeJP NA NA +PJ025217 VVMMMM C30H56N6O7S4 740.3094 NA PeJP NA NA +PJ025218 GCQMFR C30H48N10O8S2 740.3098 NA PeJP NA NA +PJ025219 SSHHHH C30H40N14O9 740.3103 NA PeJP NA NA +PJ025220 SSSSSMR C26H48N10O13S 740.3123 NA PeJP NA NA +PJ025221 GSTQYW C34H44N8O11 740.313 NA PeJP NA NA +PJ025222 TCCKMR C27H52N10O8S3 740.3132 NA PeJP NA NA +PJ025223 ANDKMY C31H48N8O11S 740.3163 NA PeJP NA NA +PJ025224 GNKEMY C31H48N8O11S 740.3164 NA PeJP NA NA +PJ025225 PEFYW C39H44N6O9 740.317 NA PeJP NA NA +PJ025226 SSSSSSSL C27H48N8O16 740.3188 NA PeJP NA NA +PJ025227 GSSTKMM C28H52N8O11S2 740.3197 NA PeJP NA NA +PJ025228 GNEEHR C28H44N12O12 740.3202 NA PeJP NA NA +PJ025229 LEMYW C36H48N6O9S 740.3204 NA PeJP NA NA +PJ025230 GCCFRR C29H48N12O7S2 740.3211 NA PeJP NA NA +PJ025231 STLEEY C32H48N6O14 740.3229 NA PeJP NA NA +PJ025232 SPLMMY C33H52N6O9S2 740.3237 NA PeJP NA NA +PJ025233 ALEMMF C33H52N6O9S2 740.3238 NA PeJP NA NA +PJ025234 AAQEHW C33H44N10O10 740.3242 NA PeJP NA NA +MJ092686 1,4,6,15-Tetrahydroxy-11(13)-eudesmen-12-oic acid, 1-[2-(2-Hydroxy-3-methylbutanoyloxy)-3-(4-hydroxyphenyl)propanoyl], 15-O-?-D-glucopyranoside, Me ester C36H52O16 740.325535 NA MeJP NA NA +PJ025235 GSQMRY C30H48N10O10S 740.3276 NA PeJP NA NA +PJ025236 NQFFW C38H44N8O8 740.3282 NA PeJP NA NA +PJ025237 GGGAFFW C38H44N8O8 740.3283 NA PeJP NA NA +MJ092687 Przewalskine C42H48N2O10 740.330895 NA MeJP NA NA +MJ092688 Thalmelatidine C42H48N2O10 740.330895 NA MeJP NA NA +PJ025238 SNNNHR C27H44N14O11 740.3314 NA PeJP NA NA +PJ025239 GGGGGGSHR C27H44N14O11 740.3315 NA PeJP NA NA +PJ025240 NKMYW C35H48N8O8S 740.3316 NA PeJP NA NA +PJ025241 SSQKEY C31H48N8O13 740.3341 NA PeJP NA NA +PJ025242 PCCKKY C32H52N8O8S2 740.335 NA PeJP NA NA +PJ025243 EHHRY C32H44N12O9 740.3354 NA PeJP NA NA +PJ025244 NEHRW C32H44N12O9 740.3355 NA PeJP NA NA +PJ025245 SSSTTKM C28H52N8O13S 740.3375 NA PeJP NA NA +PJ025246 GPLEYY C36H48N6O11 740.3381 NA PeJP NA NA +PJ025247 TCKKMM C29H56N8O8S3 740.3384 NA PeJP NA NA +PJ025248 GSCRRY C29H48N12O9S 740.3388 NA PeJP NA NA +PJ025249 VNHWW C37H44N10O7 740.3395 NA PeJP NA NA +PJ025250 SVLEMY C33H52N6O11S 740.3415 NA PeJP NA NA +PJ025251 APCKHW C34H48N10O7S 740.3429 NA PeJP NA NA +PJ025252 SSTQRY C30H48N10O12 740.3453 NA PeJP NA NA +PJ025253 PPNEER C30H48N10O12 740.3454 NA PeJP NA NA +PJ025254 GCKMFR C31H52N10O7S2 740.3462 NA PeJP NA NA +MJ092689 Deditonium(2+); Dibromide C38H66Br2N2O2 740.349104 NA MeJP NA NA +PJ025255 GSTKYW C35H48N8O10 740.3494 NA PeJP NA NA +PJ025256 GHRWW C36H44N12O6 740.3507 NA PeJP NA NA +PJ025257 GDKKMY C32H52N8O10S 740.3527 NA PeJP NA NA +PJ025258 GPPPDKM C32H52N8O10S 740.3528 NA PeJP NA NA +PJ025259 PLYYW C40H48N6O8 740.3534 NA PeJP NA NA +PJ025260 GDKEHR C29H48N12O11 740.3566 NA PeJP NA NA +PJ025261 APLMFY C37H52N6O8S 740.3568 NA PeJP NA NA +PJ025262 ALLMMY C34H56N6O8S2 740.3601 NA PeJP NA NA +PJ025263 GPPERW C34H48N10O9 740.3606 NA PeJP NA NA +MJ092690 1,3-Dihydroxypregna-5,16-dien-20-one, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] C37H56O15 740.361921 NA MeJP NA NA +MJ092691 3,14,19-Trihydroxycard-20(22)-enolide, 19-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-6-deoxy-?-D-allopyranoside] C37H56O15 740.361921 NA MeJP NA NA +MJ092692 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,3-di-O-methyl-?-D-fucopyranoside] C37H56O15 740.361921 NA MeJP NA NA +MJ092693 Aldgamycin E; 2,3-Didehydro C37H56O15 740.361921 NA MeJP NA NA +MJ092694 Gitaloxigenin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-digitaloside] C37H56O15 740.361921 NA MeJP NA NA +MJ092695 Gitaloxigenin; 3-[6-Deoxy-4-O-?-D-glucopyranosyl-3-O-methyl-?-D-galactopyranoside] C37H56O15 740.361921 NA MeJP NA NA +PJ025264 GSKMRY C31H52N10O9S 740.364 NA PeJP NA NA +PJ025265 GPPVWW C39H48N8O7 740.3646 NA PeJP NA NA +PJ025266 GSEHRR C28H48N14O10 740.3678 NA PeJP NA NA +PJ025267 PPLMHF C36H52N8O7S 740.368 NA PeJP NA NA +PJ025268 SSKKEY C32H52N8O12 740.3705 NA PeJP NA NA +PJ025269 GKKMMF C33H56N8O7S2 740.3714 NA PeJP NA NA +PJ025270 DKHRW C33H48N12O8 740.3718 NA PeJP NA NA +PJ025271 GGAPHFR C33H48N12O8 740.3719 NA PeJP NA NA +PJ025272 SPVLYY C37H52N6O10 740.3745 NA PeJP NA NA +PJ025273 GLQMHR C30H52N12O8S 740.3752 NA PeJP NA NA +PJ025274 PPRWW C38H48N10O6 740.3759 NA PeJP NA NA +MJ092696 Nimbolidin A; 1,7-Dideacyl, 1-(2-methylbutanoyl), 7-tigloyl C41H56O12 740.377177 NA MeJP NA NA +PJ025275 TTLLMY C34H56N6O10S 740.3779 NA PeJP NA NA +PJ025276 SSTKRY C31H52N10O11 740.3817 NA PeJP NA NA +PJ025277 GGGGGPVLQ C31H52N10O11 740.3818 NA PeJP NA NA +PJ025278 SHRRW C32H48N14O7 740.3831 NA PeJP NA NA +PJ025279 PPTLQW C36H52N8O9 740.3857 NA PeJP NA NA +PJ025280 PPVDKW C36H52N8O9 740.3858 NA PeJP NA NA +PJ025281 AAMHRR C29H52N14O7S 740.3865 NA PeJP NA NA +PJ025282 ATKKMY C33H56N8O9S 740.3891 NA PeJP NA NA +PJ025283 LLFYW C41H52N6O7 740.3898 NA PeJP NA NA +MJ092697 Antibiotic SF 2132 C30H52N12O10 740.392935 NA MeJP NA NA +MJ092698 Antibiotic SF 2139 C30H52N12O10 740.392935 NA MeJP NA NA +PJ025284 SPPERR C30H52N12O10 740.393 NA PeJP NA NA +3567 NA SEPKAIP 740.393 ACE inhibitor Inhouse_peptide NA peptide +PJ025285 ALLMFF C38H56N6O7S 740.3932 NA PeJP NA NA +PJ025286 SPPVRW C35H52N10O8 740.397 NA PeJP NA NA +MJ092699 3,27-Dihydroxyspirostan-6-one, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C38H60O14 740.398306 NA MeJP NA NA +MJ092700 14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 3-(N-Pimeloyl-L-argininoyl), 16-Ac C39H56N4O10 740.399644 NA MeJP NA NA +PJ025287 PPLQMR C32H56N10O8S 740.4004 NA PeJP NA NA +PJ025288 ATTHRR C29H52N14O9 740.4042 NA PeJP NA NA +PJ025289 TTTKKY C33H56N8O11 740.4069 NA PeJP NA NA +PJ025290 GPKHFR C34H52N12O7 740.4082 NA PeJP NA NA +PJ025291 GLLLYY C38H56N6O9 740.4109 NA PeJP NA NA +PJ025292 PPCLRR C31H56N12O7S 740.4116 NA PeJP NA NA +PJ025293 PVLQER C32H56N10O10 740.4181 NA PeJP NA NA +MJ092701 Montanastatin C36H60N4O12 740.420773 NA MeJP NA NA +PJ025294 PPTLKW C37H56N8O8 740.4221 NA PeJP NA NA +MJ092702 Cyclogossin A C37H56N8O8 740.42211 NA MeJP NA NA +PJ025295 GGPVLLW C37H56N8O8 740.4222 NA PeJP NA NA +PJ025296 GPPVLKM C34H60N8O8S 740.4255 NA PeJP NA NA +PJ025297 VTTKHR C31H56N12O9 740.4293 NA PeJP NA NA +PJ025298 APLERR C31H56N12O9 740.4294 NA PeJP NA NA +5474 aurein 3,1,1 GLFDIVKKIAGHIA 740.4304 MH2+ Inhouse_peptide NA peptide +PJ025299 GPLLRW C36H56N10O7 740.4334 NA PeJP NA NA +MJ092703 16,22,26-Trihydroxycholest-4-en-3-one, 16-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C39H64O13 740.434692 NA MeJP NA NA +MJ092704 16,22-Dihydroxycholest-4-en-3-one, 16-O-[?-D-Glucopyranosyl-(1?3)-?-D-galactopyranoside] C39H64O13 740.434692 NA MeJP NA NA +MJ092705 Ergosta-5,24(28)-diene-2,3,4,7-tetrol, 4-O-[?-D-Galactopyranosyl-(1?2)-?-D-xylopyranoside] C39H64O13 740.434692 NA MeJP NA NA +MJ092706 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C39H64O13 740.434692 NA MeJP NA NA +MJ092707 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-mannopyranoside] C39H64O13 740.434692 NA MeJP NA NA +MJ092708 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] C39H64O13 740.434692 NA MeJP NA NA +MJ092709 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C39H64O13 740.434692 NA MeJP NA NA +MJ092710 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C39H64O13 740.434692 NA MeJP NA NA +MJ092711 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C39H64O13 740.434692 NA MeJP NA NA +MJ092712 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C39H64O13 740.434692 NA MeJP NA NA +MJ092713 Spirostan-3-ol, 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucopyranoside] C39H64O13 740.434692 NA MeJP NA NA +MJ092714 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C39H64O13 740.434692 NA MeJP NA NA +MJ092715 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside] C39H64O13 740.434692 NA MeJP NA NA +MJ092716 Spirostane-2,3-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C39H64O13 740.434692 NA MeJP NA NA +MJ092717 Spirostane-3,6,23-triol, 6-O-[?-L-Rhamnopyranosyl-(1?3)-6-deoxy-?-D-glucopyranoside] C39H64O13 740.434692 NA MeJP NA NA +MJ092718 Spirostane-3,6-diol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C39H64O13 740.434692 NA MeJP NA NA +MJ092719 Tiqueside C39H64O13 740.434692 NA MeJP NA NA +C17075 Timosaponin A-III C39H64O13 740.4347 NA KEGG NA NA +PJ025300 PPLKMR C33H60N10O7S 740.4368 NA PeJP NA NA +PJ025301 GPQKRR C30H56N14O8 740.4406 NA PeJP NA NA +PJ025302 AAPLLKE C34H60N8O10 740.4433 NA PeJP NA NA +PJ025303 PVLKER C33H60N10O9 740.4545 NA PeJP NA NA +PJ025304 PVVLKW C38H60N8O7 740.4585 NA PeJP NA NA +PJ025305 SPLLRR C32H60N12O8 740.4657 NA PeJP NA NA +PJ025306 GGPVKKR C32H60N12O8 740.4658 NA PeJP NA NA +MJ092720 3,6,16,22-Hopanetetrol, 16-O-[?-D-Xylopyranosyl-(1?3)-?-D-arabinopyranoside] C40H68O12 740.471077 NA MeJP NA NA +MJ092721 Phthoramycin C40H68O12 740.471077 NA MeJP NA NA +PJ025307 GPKKRR C31H60N14O7 740.477 NA PeJP NA NA +MJ092722 Enterococcus faecalis Sex pheromone cOB1 C35H64N8O9 740.479625 NA MeJP NA NA +PJ025308 GPTLLLK C35H64N8O9 740.4797 NA PeJP NA NA +PJ025309 VLLLQR C34H64N10O8 740.4909 NA PeJP NA NA +PJ025310 ALLLRR C33H64N12O7 740.5021 NA PeJP NA NA +PJ025311 AALLLLK C36H68N8O8 740.516 NA PeJP NA NA +PJ025312 VLLLKR C35H68N10O7 740.5273 NA PeJP NA NA +MJ092723 Bacterioruberin C50H76O4 740.57436 NA MeJP NA NA +MJ092724 Iristectorene A; Deacyl, 3-O-octadecanoyl C48H84O5 740.631875 NA MeJP NA NA +7012 synthetic peptide from alpha-gliadin PFRPQQPYPQPQ 740.862 MH2+ Inhouse_peptide NA peptide +MJ092725 Araplysillin I; N20,N20-Di-Me C23H27Br4N3O5 740.868421 NA MeJP NA NA +PJ025313 ACCCCCH C24H39N9O8S5 741.1525 NA PeJP NA NA +PJ025314 GCCDDDD C24H35N7O16S2 741.1582 NA PeJP NA NA +PJ025315 SSCCCCH C24H39N9O10S4 741.1703 NA PeJP NA NA +PJ025316 SPCCCDD C25H39N7O13S3 741.1768 NA PeJP NA NA +FL7AAIGL0017 Malonylmalvin C32H37O20 741.18781 121748-28-5 knapsack NA NA +FL7AAIGL0018 Malvidin 3-glucoside-5-(6''-malonylglucoside) C32H37O20 741.18781 160206-02-0 knapsack NA NA +PJ025317 GCCCNNE C24H39N9O12S3 741.1881 NA PeJP NA NA +PJ025318 GSCDDDM C25H39N7O15S2 741.1946 NA PeJP NA NA +PJ025319 GPCCCEM C26H43N7O10S4 741.1955 NA PeJP NA NA +FL7AAAGL0027 Bisdemalonylmonardaein C36H37O17 741.20307 167936-45-0 knapsack NA NA +FL7AAAGL0073 Pelargonidin 3-[6-((Z)-p-coumaroyl)glucoside]-5-glucoside C36H37O17 741.20307 167936-44-9 knapsack NA NA +MetaCyc04087 pelargonidin-3,5-diglucoside-5-O-p-coumaroylglucoside [] C36H37O17 741.203075 NA metacyc NA NA +C16349 Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside) C36H37O17 741.2031 NA KEGG NA NA +PJ025320 CCCNNW C28H39N9O9S3 741.2033 NA PeJP NA NA +PJ025321 SSCCNND C24H39N9O14S2 741.2058 NA PeJP NA NA +PJ025322 SCCDEW C29H39N7O12S2 741.2098 NA PeJP NA NA +PJ025323 PCCCMW C30H43N7O7S4 741.2107 NA PeJP NA NA +PJ025324 SSSCDDE C25H39N7O17S 741.2123 NA PeJP NA NA +PJ025325 CNDEMM C26H43N7O12S3 741.2132 NA PeJP NA NA +C12645 Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside C33H41O19 741.2242 NA KEGG NA NA +FL7AAAGA0005 Pelargonidin 3-robinobioside-5-glucoside C33H41O19 741.2242 - knapsack NA NA +FL7AAAGL0010 Pelargonidin 3-(2G-glucosylrutinoside) C33H41O19 741.2242 - knapsack NA NA +FL7AAAGL0013 Pelargonidin 3-rutinoside-5-glucoside C33H41O19 741.2242 62058-43-9 knapsack NA NA +FL7AAAGL0067 Pelargonidin 3-rutinoside-7-glucoside C33H41O19 741.2242 215237-85-7 knapsack NA NA +FL7AADGL0028 Peonidin 3-[6-(rhamnosyl)-2-(xylosyl)glucoside] C33H41O19 741.2242 266315-96-2 knapsack NA NA +MetaCyc04088 pelargonidin-3-O-rutinoside-5-O-β-D-glucoside [] C33H41O19 741.224204 NA metacyc NA NA +PJ025326 CCDDMR C25H43N9O11S3 741.2244 NA PeJP NA NA +PJ025327 GGGSCCQM C25H43N9O11S3 741.2245 NA PeJP NA NA +PJ025328 CNDDEF C29H39N7O14S 741.2276 NA PeJP NA NA +PJ025329 GCDMMW C30H43N7O9S3 741.2285 NA PeJP NA NA +PJ025330 GSSDDMM C26H43N7O14S2 741.231 NA PeJP NA NA +PJ025331 GPTCCMM C27H47N7O9S4 741.2318 NA PeJP NA NA +PJ025332 CCNEHH C27H39N11O10S2 741.2323 NA PeJP NA NA +PJ025333 GSCCCNR C24H43N11O10S3 741.2357 NA PeJP NA NA +PJ025334 CNNNDY C28H39N9O13S 741.2388 NA PeJP NA NA +PJ025335 GGGGGGCDY C28H39N9O13S 741.2389 NA PeJP NA NA +PJ025336 SSSCNNM C25H43N9O13S2 741.2422 NA PeJP NA NA +PJ025337 GCDDFW C33H39N7O11S 741.2429 NA PeJP NA NA +PJ025338 SNDDEY C29H39N7O16 741.2453 NA PeJP NA NA +PJ025339 GGSDDEY C29H39N7O16 741.2454 NA PeJP NA NA +PJ025340 SSCEMW C30H43N7O11S2 741.2462 NA PeJP NA NA +PJ025341 GCCHHW C31H39N11O7S2 741.2476 NA PeJP NA NA +PJ025342 SSSSDEM C26H43N7O16S 741.2487 NA PeJP NA NA +PJ025343 SNEMMM C27H47N7O11S3 741.2496 NA PeJP NA NA +PJ025344 GSSCDHH C27H39N11O12S 741.2501 NA PeJP NA NA +PJ025345 CMYYY C35H43N5O9S2 741.2502 NA PeJP NA NA +PJ025346 GSPDDDH C28H39N9O15 741.2566 NA PeJP NA NA +PJ025347 CNNNMF C29H43N9O10S2 741.2575 NA PeJP NA NA +PJ025348 GSSSSSCQ C25H43N9O15S 741.26 NA PeJP NA NA +PJ025349 GSDDYW C33H39N7O13 741.2606 NA PeJP NA NA +PJ025350 SCDMMR C26H47N9O10S3 741.2608 NA PeJP NA NA +PJ025351 APCCYW C34H43N7O8S2 741.2615 NA PeJP NA NA +PJ025352 GNEEMY C30H43N7O13S 741.264 NA PeJP NA NA +PJ025353 GSMMMW C31H47N7O8S3 741.2649 NA PeJP NA NA +PJ025354 SSTCCLE C27H47N7O13S2 741.2673 NA PeJP NA NA +PJ025355 GSSTEMM C27H47N7O13S2 741.2674 NA PeJP NA NA +PJ025356 NNNDEH C27H39N11O14 741.2678 NA PeJP NA NA +PJ025357 AQMMMM C28H51N7O8S4 741.2682 NA PeJP NA NA +PJ025358 SCQMHH C28H43N11O9S2 741.2687 NA PeJP NA NA +PJ025359 PPCCHW C33H43N9O7S2 741.2727 NA PeJP NA NA +PJ025360 GCDERY C29H43N9O12S 741.2752 NA PeJP NA NA +MJ092726 Lissoclinamide 4 C38H43N7O5S2 741.276708 NA MeJP NA NA +PJ025361 SSSSSSSN C25H43N9O17 741.2777 NA PeJP NA NA +MJ092727 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 1-(E-cinnamoyl), 9-benzoyl, 6,14-di-Ac C41H43NO12 741.278525 NA MeJP NA NA +MJ092728 1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 1-(Z-cinnamoyl), 9-benzoyl, 6,14-di-Ac C41H43NO12 741.278525 NA MeJP NA NA +MJ092729 Delgrandine C41H43NO12 741.278525 NA MeJP NA NA +PJ025362 SSSCCQK C26H47N9O12S2 741.2786 NA PeJP NA NA +PJ025363 NEMYW C34H43N7O10S 741.2792 NA PeJP NA NA +PJ025364 GGPCDFF C34H43N7O10S 741.2793 NA PeJP NA NA +PJ025365 ACMMMR C27H51N9O7S4 741.2795 NA PeJP NA NA +PJ025366 SCCHHR C27H43N13O8S2 741.2799 NA PeJP NA NA +PJ025367 SSQEEY C30H43N7O15 741.2817 NA PeJP NA NA +MJ092730 3-(Methylthio)rifamycin; 1,4-Quinone C38H47NO12S 741.281896 NA MeJP NA NA +PJ025368 SSTMMW C31H47N7O10S2 741.2826 NA PeJP NA NA +PJ025369 GNNDHW C31H39N11O11 741.2831 NA PeJP NA NA +PJ025370 CFFYY C39H43N5O8S 741.2832 NA PeJP NA NA +PJ025371 SSSTTEM C27H47N7O15S 741.2851 NA PeJP NA NA +PJ025372 SDKMMM C28H51N7O10S3 741.286 NA PeJP NA NA +PJ025373 GSSSMHH C28H43N11O11S 741.2864 NA PeJP NA NA +PJ025374 PCDDHR C28H43N11O11S 741.2865 NA PeJP NA NA +PJ025375 CDRYW C33H43N9O9S 741.2905 NA PeJP NA NA +MJ092731 Glycoprotein C28H47N5O18 741.291609 NA MeJP NA NA +PJ025376 SSDDRY C29H43N9O14 741.293 NA PeJP NA NA +PJ025377 PTCCRY C30H47N9O9S2 741.2938 NA PeJP NA NA +PJ025378 GCEMFR C30H47N9O9S2 741.2939 NA PeJP NA NA +PJ025379 GMYWW C38H43N7O7S 741.2945 NA PeJP NA NA +PJ025380 GSSSSSCK C26H47N9O14S 741.2963 NA PeJP NA NA +PJ025381 GSTEYW C34H43N7O12 741.297 NA PeJP NA NA +PJ025382 SSMMMR C27H51N9O9S3 741.2972 NA PeJP NA NA +PJ025383 QMMFW C35H47N7O7S2 741.2979 NA PeJP NA NA +PJ025384 GDKEMY C31H47N7O12S 741.3004 NA PeJP NA NA +PJ025385 AYYYY C39H43N5O10 741.301 NA PeJP NA NA +PJ025386 GNMHHF C32H43N11O8S 741.3017 NA PeJP NA NA +PJ025387 SSSSLMM C28H51N7O12S2 741.3037 NA PeJP NA NA +PJ025388 GDEEHR C28H43N11O13 741.3042 NA PeJP NA NA +PJ025389 AKMMMM C29H55N7O7S4 741.3046 NA PeJP NA NA +PJ025390 SCKMHH C29H47N11O8S2 741.3051 NA PeJP NA NA +PJ025391 AAEEHW C33H43N9O11 741.3082 NA PeJP NA NA +PJ025392 GGGGPPDW C33H43N9O11 741.3083 NA PeJP NA NA +PJ025393 CMFRW C34H47N9O6S2 741.3091 NA PeJP NA NA +PJ025394 GSEMRY C30H47N9O11S 741.3116 NA PeJP NA NA +PJ025395 STYWW C38H43N7O9 741.3122 NA PeJP NA NA +PJ025396 GGPYYW C38H43N7O9 741.3123 NA PeJP NA NA +MJ092732 1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl), 8-(2-methylbutanoyl), 2,9-dibenzoyl, 6-Ac C42H47NO11 741.314911 NA MeJP NA NA +PJ025397 SSSCCKK C27H51N9O11S2 741.315 NA PeJP NA NA +PJ025398 SNNDHR C27H43N13O12 741.3154 NA PeJP NA NA +PJ025399 GGGGSDHR C27H43N13O12 741.3155 NA PeJP NA NA +PJ025400 DKMYW C35H47N7O9S 741.3156 NA PeJP NA NA +PJ025401 SSKEEY C31H47N7O14 741.3181 NA PeJP NA NA +PJ025402 GLQMMY C32H51N7O9S2 741.319 NA PeJP NA NA +PJ025403 DEHRW C32H43N11O10 741.3195 NA PeJP NA NA +PJ025404 STTTTTM C28H51N7O14S 741.3215 NA PeJP NA NA +PJ025405 TTKMMM C29H55N7O9S3 741.3224 NA PeJP NA NA +PJ025406 SPDMHR C29H47N11O10S 741.3228 NA PeJP NA NA +PJ025407 GGGGVQMH C29H47N11O10S 741.3229 NA PeJP NA NA +PJ025408 VDHWW C37H43N9O8 741.3235 NA PeJP NA NA +PJ025409 SMRYW C34H47N9O8S 741.3268 NA PeJP NA NA +PJ025410 APTMHW C34H47N9O8S 741.3269 NA PeJP NA NA +PJ025411 GFFWW C42H43N7O6 741.3275 NA PeJP NA NA +PJ025412 SSTERY C30H47N9O13 741.3294 NA PeJP NA NA +PJ025413 AAMMRY C31H51N9O8S2 741.3302 NA PeJP NA NA +PJ025414 SPQHHH C31H43N13O9 741.3307 NA PeJP NA NA +PJ025415 SSSLYW C35H47N7O11 741.3334 NA PeJP NA NA +PJ025416 GNQMHR C28H47N13O9S 741.3341 NA PeJP NA NA +PJ025417 KMMFW C36H51N7O6S2 741.3343 NA PeJP NA NA +PJ025418 ATKEMY C32H51N7O11S 741.3367 NA PeJP NA NA +PJ025419 GAVTTMY C32H51N7O11S 741.3368 NA PeJP NA NA +PJ025420 ACKHHF C33H47N11O7S 741.3381 NA PeJP NA NA +PJ025421 ATEEHR C29H47N11O12 741.3406 NA PeJP NA NA +PJ025422 APMMHR C30H51N11O7S2 741.3415 NA PeJP NA NA +3969 NA RADHPF 741.3429 ACE inhibitor Inhouse_peptide NA peptide +PJ025423 GTLEHW C34H47N9O10 741.3446 NA PeJP NA NA +PJ025424 GCNHRR C27H47N15O8S 741.3453 NA PeJP NA NA +PJ025425 ATTMRY C31H51N9O10S 741.348 NA PeJP NA NA +PJ025426 VQFYW C39H47N7O8 741.3486 NA PeJP NA NA +PJ025427 SSQQHR C28H47N13O11 741.3518 NA PeJP NA NA +PJ025428 GGGGGGPQR C28H47N13O11 741.3519 NA PeJP NA NA +PJ025429 GPKMFY C36H51N7O8S 741.352 NA PeJP NA NA +PJ025430 TTTKEY C32H51N7O13 741.3545 NA PeJP NA NA +PJ025431 GLKMMY C33H55N7O8S2 741.3554 NA PeJP NA NA +PJ025432 ASNKHW C33H47N11O9 741.3558 NA PeJP NA NA +PJ025433 GSQKHW C33H47N11O9 741.3559 NA PeJP NA NA +PJ025434 GLEMHR C30H51N11O9S 741.3592 NA PeJP NA NA +PJ025435 TLHWW C38H47N9O7 741.3599 NA PeJP NA NA +PJ025436 ACLLHW C35H51N9O7S 741.3632 NA PeJP NA NA +PJ025437 GVLMHW C35H51N9O7S 741.3633 NA PeJP NA NA +PJ025438 TTTTRY C31H51N9O12 741.3657 NA PeJP NA NA +PJ025439 GSSLLEH C31H51N9O12 741.3658 NA PeJP NA NA +PJ025440 PVKMMH C32H55N9O7S2 741.3666 NA PeJP NA NA +PJ025441 SPKHHH C32H47N13O8 741.3671 NA PeJP NA NA +PJ025442 PPTLEW C36H51N7O10 741.3698 NA PeJP NA NA +PJ025443 PPCNRR C29H51N13O8S 741.3705 NA PeJP NA NA +PJ025444 PHFRW C37H47N11O6 741.3711 NA PeJP NA NA +3630 NA YPFGFL~ 741.372 ACE inhibitor Inhouse_peptide NA peptide +3632 NA YPFGFI~ 741.372 ACE inhibitor Inhouse_peptide NA peptide +7729 NA TYRKPPFNGSIFG 741.37295 MH2+ Inhouse_peptide NA peptide +PJ025445 STLKMY C33H55N7O10S 741.3731 NA PeJP NA NA +PJ025446 GPPVLEM C33H55N7O10S 741.3732 NA PeJP NA NA +PJ025447 LMHRW C34H51N11O6S 741.3745 NA PeJP NA NA +PJ025448 STLEHR C30H51N11O11 741.377 NA PeJP NA NA +PJ025449 GVHHHR C31H47N15O7 741.3783 NA PeJP NA NA +PJ025450 SSLLHW C35H51N9O9 741.381 NA PeJP NA NA +PJ025451 PPLEMR C32H55N9O9S 741.3844 NA PeJP NA NA +PJ025452 VKFYW C40H51N7O7 741.385 NA PeJP NA NA +PJ025453 GPQERR C29H51N13O10 741.3882 NA PeJP NA NA +PJ025454 PPVLMW C37H55N7O7S 741.3884 NA PeJP NA NA +PJ025455 HHHRR C30H47N17O6 741.3896 NA PeJP NA NA +PJ025456 AAPLLEE C33H55N7O12 741.3909 NA PeJP NA NA +PJ025457 GPVQRW C34H51N11O8 741.3922 NA PeJP NA NA +PJ025458 GGGPLRW C34H51N11O8 741.3923 NA PeJP NA NA +MJ092733 Antibiotic YS 822A C37H59NO14 741.393555 NA MeJP NA NA +PJ025459 SVLMHR C31H55N11O8S 741.3956 NA PeJP NA NA +PJ025460 PVLEER C32H55N9O11 741.4021 NA PeJP NA NA +PJ025461 AAAAPVDK C32H55N9O11 741.4022 NA PeJP NA NA +PJ025462 PQRRW C33H51N13O7 741.4035 NA PeJP NA NA +PJ025463 ATLKFY C37H55N7O9 741.4061 NA PeJP NA NA +PJ025464 PVVLEW C37H55N7O9 741.4062 NA PeJP NA NA +PJ025465 ACKKHR C30H55N13O7S 741.4068 NA PeJP NA NA +PJ025466 APPTLLM C34H59N7O9S 741.4095 NA PeJP NA NA +PJ025467 PVNKER C31H55N11O10 741.4134 NA PeJP NA NA +MJ092734 Halisulfate 1; 1,7,9-Trimethylguaninium salt C39H59N5O7S 741.413519 NA MeJP NA NA +PJ025468 SPPKKW C36H55N9O8 741.4174 NA PeJP NA NA +PJ025469 TLLKMH C33H59N9O8S 741.4208 NA PeJP NA NA +2979 kinases inhibitor KKAVRRQEAVDAL 741.42395 MH2+ Inhouse_peptide NA peptide +2991 kinases inhibitor KKALRRQEGVDAL 741.42395 MH2+ Inhouse_peptide NA peptide +2990 kinases inhibitor KKALRRNEAVDAL 741.4244 MH2+ Inhouse_peptide NA peptide +PJ025470 GPKERR C30H55N13O9 741.4246 NA PeJP NA NA +PJ025471 GPTLLLE C34H59N7O11 741.4273 NA PeJP NA NA +PJ025472 GPVKRW C35H55N11O7 741.4286 NA PeJP NA NA +8159 ACE inhibitor from b-CN (203-209) GPFPIIV 741.429 antibacterial Inhouse_peptide NA peptide +MJ092735 Cirramycin A1; 4'-O-(2,6-Dideoxy-3C-methyl-ribo-hexopyranosyl) C38H63NO13 741.429941 NA MeJP NA NA +MJ092736 Tylosin; 23-Deglycosyl C38H63NO13 741.429941 NA MeJP NA NA +PJ025473 AKKKMH C32H59N11O7S 741.432 NA PeJP NA NA +PJ025474 GPTRRR C29H55N15O8 741.4358 NA PeJP NA NA +PJ025475 PLQKKE C33H59N9O10 741.4385 NA PeJP NA NA +PJ025476 PKRRW C34H55N13O6 741.4399 NA PeJP NA NA +PJ025477 PTLLLW C38H59N7O8 741.4425 NA PeJP NA NA +PJ025478 GPPVLLF C38H59N7O8 741.4426 NA PeJP NA NA +PJ025479 GPVLLLM C35H63N7O8S 741.4459 NA PeJP NA NA +PJ025480 PVDKKR C32H59N11O9 741.4498 NA PeJP NA NA +PJ025481 APLKKW C37H59N9O7 741.4538 NA PeJP NA NA +PJ025482 PLLLMR C34H63N9O7S 741.4572 NA PeJP NA NA +PJ025483 SPVKRR C31H59N13O8 741.461 NA PeJP NA NA +PJ025484 AALLLLE C35H63N7O10 741.4637 NA PeJP NA NA +PJ025485 AALRRR C30H59N15O7 741.4722 NA PeJP NA NA +PJ025486 VLLLER C34H63N9O9 741.4749 NA PeJP NA NA +PJ025487 VVLLLW C39H63N7O7 741.4789 NA PeJP NA NA +PJ025488 VRRRR C29H59N17O6 741.4835 NA PeJP NA NA +MJ092737 Taurospongin A C40H71NO9S 741.484953 NA MeJP NA NA +PJ025489 PTLKKR C33H63N11O8 741.4861 NA PeJP NA NA +PJ025490 GLLKRR C32H63N13O7 741.4974 NA PeJP NA NA +PJ025491 GTLLLLL C36H67N7O9 741.5001 NA PeJP NA NA +PJ025492 LLLQKK C35H67N9O8 741.5113 NA PeJP NA NA +PJ025493 VVLKKR C34H67N11O7 741.5225 NA PeJP NA NA +MJ092738 Pepstatins; Pepstatin I C38H71N5O9 741.525178 NA MeJP NA NA +HMDB05349 GPEtn(18:1(9Z)/18:2(9Z,12Z)) C41H76NO8P 741.53082 http://www.hmdb.ca/metabolites/HMDB05349 HMDB NA NA +HMDB05349 GPEtn(18:1(9Z)/18:2(9Z,12Z)) C41H76NO8P 741.53082 HMDB05349 PFEM_hmdb_metabocards_official NA NA +EUR951 PC 34:3 [M-H-CH3]- C42H78NO8P 741.530857 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR951 PC 34:3 [M-H-CH3]- C42H78NO8P 741.530857 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR951 PC 34:3 [M-H-CH3]- C42H78NO8P 741.530857 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR951 PC 34:3 [M-H-CH3]- C42H78NO8P 741.530857 masses lipides attendues Inhousejuil11 NA NA +HMDB07941 PC(15:0/18:3(6Z,9Z,12Z)) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB07942 PC(15:0/18:3(9Z,12Z,15Z)) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB08165 PC(18:3(6Z,9Z,12Z)/15:0) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB08198 PC(18:3(9Z,12Z,15Z)/15:0) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB08876 PE(14:1(9Z)/22:2(13Z,16Z)) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB08935 PE(16:0/20:3(5Z,8Z,11Z)) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB08936 PE(16:0/20:3(8Z,11Z,14Z)) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB08967 PE(16:1(9Z)/20:2(11Z,14Z)) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB08995 PE(18:0/18:3(6Z,9Z,12Z)) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB08996 PE(18:0/18:3(9Z,12Z,15Z)) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB09027 PE(18:1(11Z)/18:2(9Z,12Z)) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB09060 PE(18:1(9Z)/18:2(9Z,12Z)) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB09091 PE(18:2(9Z,12Z)/18:1(11Z)) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB09092 PE(18:2(9Z,12Z)/18:1(9Z)) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB09123 PE(18:3(6Z,9Z,12Z)/18:0) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB09156 PE(18:3(9Z,12Z,15Z)/18:0) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB09287 PE(20:2(11Z,14Z)/16:1(9Z)) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB09319 PE(20:3(5Z,8Z,11Z)/16:0) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB09352 PE(20:3(8Z,11Z,14Z)/16:0) C41H76NO8P 741.530884 NA HMDB2010 NA NA +HMDB09548 PE(22:2(13Z,16Z)/14:1(9Z)) C41H76NO8P 741.530884 NA HMDB2010 NA NA +PJ025494 LLLKKK C36H71N9O7 741.5477 NA PeJP NA NA +HMDB08029 PC(16:1(9Z)/P-18:1(11Z)) C42H80NO7P 741.567261 NA HMDB2010 NA NA +HMDB08030 PC(16:1(9Z)/P-18:1(9Z)) C42H80NO7P 741.567261 NA HMDB2010 NA NA +HMDB08159 PC(18:2(9Z,12Z)/P-16:0) C42H80NO7P 741.567261 NA HMDB2010 NA NA +HMDB11211 PC(P-16:0/18:2(9Z,12Z)) C42H80NO7P 741.567261 NA HMDB2010 NA NA +HMDB11273 PC(P-18:1(11Z)/16:1(9Z)) C42H80NO7P 741.567261 NA HMDB2010 NA NA +HMDB11306 PC(P-18:1(9Z)/16:1(9Z)) C42H80NO7P 741.567261 NA HMDB2010 NA NA +HMDB13413 PC(o-16:1(9Z)/18:2(9Z,12Z)) C42H80NO7P 741.567261 NA HMDB2010 NA NA +MJ092739 Manzamenone A; Amide C46H79NO6 741.590739 NA MeJP NA NA +MJ092740 Manzamenone J C46H79NO6 741.590739 NA MeJP NA NA +2989 kinases inhibitor KKALRRDEAVDAL 741.9164 MH2+ Inhouse_peptide NA peptide +3223 C-terminal fr, of human receptor of interleukin QRRQRKSRRTI 741.93895 MH2+ Inhouse_peptide NA peptide +MJ092741 2''',8-Bieckol C36H22O18 742.080613 NA MeJP NA NA +MJ092742 6,6'-Bieckol C36H22O18 742.080613 NA MeJP NA NA +MJ092743 6,8'-Bieckol C36H22O18 742.080613 NA MeJP NA NA +MJ092744 8,8'-Bieckol C36H22O18 742.080613 NA MeJP NA NA +MJ092745 Dieckol C36H22O18 742.080613 NA MeJP NA NA +PJ025495 GCCCNDE C24H38N8O13S3 742.1721 NA PeJP NA NA +FL5FACGS0101 Quercetin 3-alpha-L-arabinopyranosyl-(1->6)-(2''-(E)-p-coumaroylglucoside);3-[[6-O-alpha-L-arabinopyranosyl-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C35H34O18 742.17451 478622-14-9 knapsack NA NA +MJ092746 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-(3,4-dihydroxycinnamoyl)-(?6)-?-D-glucopyranoside](E-) C35H35O18(+) 742.174514 NA MeJP NA NA +MJ092747 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-[(3,4-dihydroxy-Z-cinnamoyl)-(?6)]-?-D-glucopyranoside] C35H35O18(+) 742.174514 NA MeJP NA NA +MJ092748 [p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',3',5',6'-Tetrabenzoyl C46H30O10 742.183897 NA MeJP NA NA +PJ025496 CCCNDW C28H38N8O10S3 742.1873 NA PeJP NA NA +PJ025497 SSCCNDD C24H38N8O15S2 742.1898 NA PeJP NA NA +PJ025498 SPCCCCQ C25H42N8O10S4 742.1907 NA PeJP NA NA +C10175 Quercetin 3-(2G-xylosylrutinoside) C32H38O20 742.1956 NA KEGG NA NA +FL5FAAGL0033 Kaempferol 3-sambubioside-7-glucoside C32H38O20 742.19564 58699-70-0 knapsack NA NA +FL5FAAGL0034 Kaempferol 3-sophoroside-7-alpha-L-arabinofuranoside C32H38O20 742.19564 132998-80-2 knapsack NA NA +FL5FAAGL0048 Kaempferol 3-apiosyl-(1->2)-glucoside-4'-glucoside C32H38O20 742.19564 148031-71-4 knapsack NA NA +FL5FAAGS0091 Depressonol A;Kaempferol 3-glucosyl-(1->4)-galactoside-7-alpha-L-arabinofuranoside;7-(alpha-L-arabinofuranosyloxy)-3-[(4-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C32H38O20 742.19564 425663-52-1 knapsack NA NA +FL5FACGA0018 Quercetin 3-(2Gal-apiosylrobinobioside) C32H38O20 742.19564 165880-62-6 knapsack NA NA +FL5FACGL0021 Quercetin 3-(2R-apiosylrutinoside);Quercetin 3-apiosyl-(1->2)-rhamnosyl-(1->6)-glucoside;3-[(O-D-Apio-beta-D-furanosyl-(1->2)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C32H38O20 742.19564 151261-96-0 knapsack NA NA +FL5FACGL0025 Quercetin 3-(2G-apiosylrutinoside) C32H38O20 742.19564 63947-67-1 knapsack NA NA +FL5FACGL0026 Quercetin 3-(2G-xylosylrutinoside) C32H38O20 742.19564 129235-39-8 knapsack NA NA +FL5FACGL0032 Quercetin 3-sambubioside-7-rhamnoside;Quercetin 3-xylosyl-(1->2)-glucoside-7-rhamoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one C32H38O20 742.19564 142059-77-6 knapsack NA NA +FL5FACGS0041 Quercetin 3-glucosyl-(1->4)-xylosyl-(1->4)-rhamnoside C32H38O20 742.19564 146441-37-4 knapsack NA NA +FL5FACGS0073 Quercetin 3-xylosyl-(1->2)-rhamnosyl-(1->6)-glucoside;Saluenin;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(O-beta-D-xylopyranosyl-(1->2)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one C32H38O20 742.19564 288096-26-4 knapsack NA NA +FL5FACGS0077 Quercetin 7-(2G-xylosylrutinoside);7-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-xylopyranosyl-(1->2)]-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-1-benzopyran-4-one C32H38O20 742.19564 213473-56-4 knapsack NA NA +FL5FACGS0079 Quercetin 3-rhamnosyl-(1->2)-alpha-L-arabinopyranoside-7-glucoside;Calabricoside A;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one C32H38O20 742.19564 356518-09-7 knapsack NA NA +FL5FACGS0083 Quercetin 3-rutinoside-3'-apioside;Plantaovaside;2-[3-(D-Apio-beta-D-furanosyloxy)-4-hydroxyphenyl]-3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one C32H38O20 742.19564 420825-83-8 knapsack NA NA +MJ092749 3',4',5,7-Tetrahydroxyflavone; 4'-O-?-D-Glucofuranoside, 7-O-[?-L-arabinofuranosyl-(1?6)-?-D-glucopyranoside] C32H38O20 742.195643 NA MeJP NA NA +MJ092750 Astragalin; 2''-?-D-Glucopyranosyl, 7-O-?-L-arabinofuranoside C32H38O20 742.195643 NA MeJP NA NA +MJ092751 Astragalin; 3''-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl] C32H38O20 742.195643 NA MeJP NA NA +MJ092752 Hyperin; 2''-O-?-D-Apiofuranosyl, 6''-O-?-L-rhamnopyranosyl C32H38O20 742.195643 NA MeJP NA NA +MJ092753 Isoquercitrin; 2''-O-?-D-Xylopyranosyl, 6''-O-?-L-rhamnopyranosyl C32H38O20 742.195643 NA MeJP NA NA +MJ092754 Isoquercitrin; 6''-O-[?-D-Apiofuranosyl-(1?2)-?-L-rhamnopyranosyl] C32H38O20 742.195643 NA MeJP NA NA +MJ092755 Populnin; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C32H38O20 742.195643 NA MeJP NA NA +MJ092756 Quercimeritrin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C32H38O20 742.195643 NA MeJP NA NA +MJ092757 Quercitrin; 4''-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranosyl] C32H38O20 742.195643 NA MeJP NA NA +MJ092758 Rutin; 2''-O-?-D-Apiofuranosyl C32H38O20 742.195643 NA MeJP NA NA +MJ092759 Rutin; 2''-O-?-D-Xylopyranosyl C32H38O20 742.195643 NA MeJP NA NA +MJ092760 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C32H39O20(+) 742.195643 NA MeJP NA NA +MJ092761 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside], 7-O-D-xyloside C32H39O20(+) 742.195643 NA MeJP NA NA +MJ092762 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside], 3-O-D-xyloside C32H39O20(+) 742.195643 NA MeJP NA NA +MJ092763 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C32H39O20(+) 742.195643 NA MeJP NA NA +MJ092764 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[Arabinosyl-(1??)-glucoside], 5-O-glucoside C32H39O20(+) 742.195643 NA MeJP NA NA +MetaCyc04089 quercetin 3-O-{β-L-rhamnosyl-(1->6)]-β-D-glucoside} [] C32H38O20 742.195644 NA metacyc NA NA +PJ025499 CDDEMM C26H42N6O13S3 742.1972 NA PeJP NA NA +MJ092765 Topsentiasterol sulfate A; 28-Deoxy C30H46O15S3 742.199882 NA MeJP NA NA +MJ092766 Cercosporin; 2',2''-Dibenzoyl C43H34O12 742.205026 NA MeJP NA NA +PJ025500 CCCMHF C29H42N8O7S4 742.206 NA PeJP NA NA +PJ025501 GSCCNEM C25H42N8O12S3 742.2085 NA PeJP NA NA +MJ092767 Protodactynaphin jc-1 C36H38O17 742.210899 NA MeJP NA NA +PJ025502 CDDDEF C29H38N6O15S 742.2116 NA PeJP NA NA +PJ025503 CCDEHH C27H38N10O11S2 742.2163 NA PeJP NA NA +PJ025504 GSCCCDR C24H42N10O11S3 742.2197 NA PeJP NA NA +PJ025505 CNNDDY C28H38N8O14S 742.2228 NA PeJP NA NA +PJ025506 GGCNDDY C28H38N8O14S 742.2229 NA PeJP NA NA +PJ025507 SCCNMW C29H42N8O9S3 742.2237 NA PeJP NA NA +PJ025508 SSSCNDM C25H42N8O14S2 742.2262 NA PeJP NA NA +PJ025509 CNNMMM C26H46N8O9S4 742.2271 NA PeJP NA NA +PJ025510 SDDDEY C29H38N6O17 742.2294 NA PeJP NA NA +PJ025511 PCDDMY C30H42N6O12S2 742.2302 NA PeJP NA NA +FL2FAAGS0019 Narirutin 4'-glucoside C33H42O19 742.23202 17257-22-6 knapsack NA NA +FL2FAAGS0020 Naringin 4'-glucoside C33H42O19 742.23202 17257-21-5 knapsack NA NA +MJ092768 2',4,4'-Trihydroxychalcone; 4'-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside], 4-O-?-D-glucopyranoside C33H42O19 742.232029 NA MeJP NA NA +MJ092769 4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside C33H42O19 742.232029 NA MeJP NA NA +MJ092770 4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside C33H42O19 742.232029 NA MeJP NA NA +MJ092771 Calceolarioside E; 6-O-?-D-Apiofuranosyl C33H42O19 742.232029 NA MeJP NA NA +MJ092772 Troxerutin C33H42O19 742.232029 NA MeJP NA NA +HMDB06083 Troxerutin C33H42O19 742.232056 NA HMDB2010 NA NA +HMDB06083 Troxerutin C33H42O19 742.23206 http://www.hmdb.ca/metabolites/HMDB06083 HMDB NA NA +HMDB06083 Troxerutin C33H42O19 742.23206 HMDB06083 PFEM_hmdb_metabocards_official NA NA +PJ025512 SDEMMM C27H46N6O12S3 742.2336 NA PeJP NA NA +PJ025513 PCMMMM C28H50N6O7S5 742.2345 NA PeJP NA NA +PJ025514 CCCQMR C25H46N10O8S4 742.2383 NA PeJP NA NA +PJ025515 GSSTCCW C29H42N8O11S2 742.2415 NA PeJP NA NA +PJ025516 GSSSSSCE C25H42N8O16S 742.244 NA PeJP NA NA +PJ025517 GSSCQMM C26H46N8O11S3 742.2448 NA PeJP NA NA +PJ025518 GGGSTCMM C26H46N8O11S3 742.2449 NA PeJP NA NA +PJ025519 GDEEMY C30H42N6O14S 742.248 NA PeJP NA NA +HMDB00743 Hexacarboxylporphyrin I C38H38N4O12 742.248596 NA HMDB2010 NA NA +HMDB00780 Porphinehexacarboxylic acid C38H38N4O12 742.248596 NA HMDB2010 NA NA +HMDB01952 Hexacarboxylporphyrin III C38H38N4O12 742.248596 NA HMDB2010 NA NA +HMDB00743 Hexacarboxylporphyrin I C38H38N4O12 742.2486 http://www.hmdb.ca/metabolites/HMDB00743 HMDB NA NA +HMDB00780 Porphinehexacarboxylic acid C38H38N4O12 742.2486 http://www.hmdb.ca/metabolites/HMDB00780 HMDB NA NA +HMDB01952 Hexacarboxylporphyrin III C38H38N4O12 742.2486 http://www.hmdb.ca/metabolites/HMDB01952 HMDB NA NA +HMDB00743 Hexacarboxylporphyrin I C38H38N4O12 742.2486 HMDB00743 PFEM_hmdb_metabocards_official NA NA +HMDB00780 Porphinehexacarboxylic acid C38H38N4O12 742.2486 HMDB00780 PFEM_hmdb_metabocards_official NA NA +HMDB01952 Hexacarboxylporphyrin III C38H38N4O12 742.2486 HMDB01952 PFEM_hmdb_metabocards_official NA NA +PJ025520 PCDMMF C31H46N6O9S3 742.2489 NA PeJP NA NA +PJ025521 CCCCRR C24H46N12O7S4 742.2496 NA PeJP NA NA +PJ025522 NNDDEH C27H38N10O15 742.2518 NA PeJP NA NA +PJ025523 GGNDDEH C27H38N10O15 742.2519 NA PeJP NA NA +PJ025524 AEMMMM C28H50N6O9S4 742.2522 NA PeJP NA NA +PJ025525 SCEMHH C28H42N10O10S2 742.2527 NA PeJP NA NA +PJ025526 GSSCCMR C25H46N10O10S3 742.2561 NA PeJP NA NA +PJ025527 GCCQFW C33H42N8O8S2 742.2567 NA PeJP NA NA +PJ025528 SSSSSCW C29H42N8O13S 742.2592 NA PeJP NA NA +PJ025529 TCCCKW C30H46N8O8S3 742.2601 NA PeJP NA NA +PJ025530 SSSSSSSD C25H42N8O18 742.2617 NA PeJP NA NA +MJ092773 3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 5'-Methoxy, 3',5-di-Me ether, 9,9'-bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,E-) C41H42O13 742.262541 NA MeJP NA NA +PJ025531 SSSSNMM C26H46N8O13S2 742.2626 NA PeJP NA NA +PJ025532 DEMYW C34H42N6O11S 742.2633 NA PeJP NA NA +PJ025533 CCQKMM C27H50N8O8S4 742.2635 NA PeJP NA NA +PJ025534 SSEEEY C30H42N6O16 742.2657 NA PeJP NA NA +PJ025535 STDEEY C30H42N6O16 742.2658 NA PeJP NA NA +PJ025536 SPDMMY C31H46N6O11S2 742.2666 NA PeJP NA NA +PJ025537 GNDDHW C31H38N10O12 742.2671 NA PeJP NA NA +PJ025538 PCCHHF C32H42N10O7S2 742.268 NA PeJP NA NA +C10543 Acanthoside D C34H46O18 742.2684 NA KEGG NA NA +MJ092774 2,3-Dihydroxy-2-(2-methylpropyl)butanedioic acid, Bis(4-?-D-glucopyranosyloxybenzyl) ester C34H46O18 742.268414 NA MeJP NA NA +MJ092775 Syringaresinol, 7-Epimer, di-O-?-D-glucopyranoside C34H46O18 742.268414 NA MeJP NA NA +MJ092776 Syringaresinol, Di-O-?-D-glucopyranoside C34H46O18 742.268414 NA MeJP NA NA +PJ025539 TTEMMM C28H50N6O11S3 742.27 NA PeJP NA NA +PJ025540 GSPCNEH C28H42N10O12S 742.2705 NA PeJP NA NA +PJ025541 GMMMHH C29H46N10O7S3 742.2713 NA PeJP NA NA +PJ025542 SSSTCCR C25H46N10O12S2 742.2738 NA PeJP NA NA +PJ025543 GSCQYW C33H42N8O10S 742.2745 NA PeJP NA NA +PJ025544 CCCKMR C26H50N10O7S4 742.2747 NA PeJP NA NA +PJ025545 GSSSNEY C29H42N8O15 742.277 NA PeJP NA NA +MJ092777 Licoagrone C45H42O10 742.277797 NA MeJP NA NA +PJ025546 ACQQMY C30H46N8O10S2 742.2778 NA PeJP NA NA +PJ025547 GNQMMY C30H46N8O10S2 742.2779 NA PeJP NA NA +PJ025548 GSSSSSTM C26H46N8O15S 742.2804 NA PeJP NA NA +PJ025549 GPDEYY C34H42N6O13 742.281 NA PeJP NA NA +PJ025550 GSSCKMM C27H50N8O10S3 742.2812 NA PeJP NA NA +PJ025551 NNNNMH C27H42N12O11S 742.2817 NA PeJP NA NA +PJ025552 EMMFW C35H46N6O8S2 742.2819 NA PeJP NA NA +MJ092778 Febrinin B; 14,15-Dihydro, 2',3'-epoxide C38H46O15 742.28367 NA MeJP NA NA +PJ025553 ATEEMY C31H46N6O13S 742.2844 NA PeJP NA NA +PJ025554 APMMMY C32H50N6O8S3 742.2852 NA PeJP NA NA +PJ025555 PVCMMY C32H50N6O8S3 742.2853 NA PeJP NA NA +PJ025556 SPCNHW C32H42N10O9S 742.2857 NA PeJP NA NA +PJ025557 SNQEEH C28H42N10O14 742.2882 NA PeJP NA NA +PJ025558 SLMMMM C29H54N6O8S4 742.2886 NA PeJP NA NA +PJ025559 GCNMRY C29H46N10O9S2 742.2891 NA PeJP NA NA +PJ025560 SSSNYW C33H42N8O12 742.2922 NA PeJP NA NA +PJ025561 PPNDDW C33H42N8O12 742.2923 NA PeJP NA NA +PJ025562 GCCKFW C34H46N8O7S2 742.2931 NA PeJP NA NA +MJ092779 Victoricine C32H47ClN6O12 742.294048 NA MeJP NA NA +PJ025563 SSQQMY C30H46N8O12S 742.2956 NA PeJP NA NA +PJ025564 PDYYW C38H42N6O10 742.2963 NA PeJP NA NA +PJ025565 PPMMMH C31H50N8O7S3 742.2965 NA PeJP NA NA +PJ025566 SSSSSSTT C26H46N8O17 742.2981 NA PeJP NA NA +C17682 Neoarctin A C42H46O12 742.2989 NA KEGG NA NA +C17683 Neoarctin B C42H46O12 742.2989 NA KEGG NA NA +MJ092780 Diarctigenin C42H46O12 742.298926 NA MeJP NA NA +MJ092781 Neoarctin A C42H46O12 742.298926 NA MeJP NA NA +MJ092782 Neoarctin B C42H46O12 742.298926 NA MeJP NA NA +PJ025567 SSSTCKM C27H50N8O12S2 742.299 NA PeJP NA NA +PJ025568 SNDDHR C27H42N12O13 742.2995 NA PeJP NA NA +PJ025569 PPTCYY C35H46N6O10S 742.2996 NA PeJP NA NA +PJ025570 CCKKMM C28H54N8O7S4 742.2999 NA PeJP NA NA +PJ025571 PCCQHR C28H46N12O8S2 742.3003 NA PeJP NA NA +PJ025572 TTTEEY C31H46N6O15 742.3021 NA PeJP NA NA +PJ025573 GLEMMY C32H50N6O10S2 742.303 NA PeJP NA NA +PJ025574 GSQEHW C32H42N10O11 742.3035 NA PeJP NA NA +PJ025575 SSCQRY C29H46N10O11S 742.3068 NA PeJP NA NA +PJ025576 GAAQEMH C29H46N10O11S 742.3069 NA PeJP NA NA +PJ025577 NNFYW C37H42N8O9 742.3075 NA PeJP NA NA +PJ025578 GSCKYW C34H46N8O9S 742.3109 NA PeJP NA NA +PJ025579 GSSSDKY C30H46N8O14 742.3134 NA PeJP NA NA +PJ025580 GNKMMY C31H50N8O9S2 742.3142 NA PeJP NA NA +PJ025581 GGGKMMY C31H50N8O9S2 742.3143 NA PeJP NA NA +PJ025582 SPEHHH C31H42N12O10 742.3147 NA PeJP NA NA +PJ025583 PMFYW C39H46N6O7S 742.3149 NA PeJP NA NA +PJ025584 APTEYY C35H46N6O12 742.3174 NA PeJP NA NA +PJ025585 GNEMHR C28H46N12O10S 742.3181 NA PeJP NA NA +PJ025586 LMMYW C36H50N6O7S2 742.3183 NA PeJP NA NA +PJ025587 SQHWW C36H42N10O8 742.3187 NA PeJP NA NA +MJ092783 2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 5-Benzoyl, 7-(2-methylpropanoyl), 2,3,8,9-tetra-Ac C39H50O14 742.320056 NA MeJP NA NA +PJ025588 STLEMY C32H50N6O12S 742.3208 NA PeJP NA NA +PJ025589 ALMMMF C33H54N6O7S3 742.3216 NA PeJP NA NA +PJ025590 AAQMHW C33H46N10O8S 742.3221 NA PeJP NA NA +PJ025591 GSSSSRY C29H46N10O13 742.3246 NA PeJP NA NA +PJ025592 ACCKRY C30H50N10O8S2 742.3255 NA PeJP NA NA +PJ025593 ANQHHH C30H42N14O9 742.3259 NA PeJP NA NA +PJ025594 GQQHHH C30H42N14O9 742.326 NA PeJP NA NA +PJ025595 SPPQEW C34H46N8O11 742.3286 NA PeJP NA NA +PJ025596 GGGPPPDF C34H46N8O11 742.3287 NA PeJP NA NA +PJ025597 GCDHRR C27H46N14O9S 742.3293 NA PeJP NA NA +MJ092784 Patellamide A C35H50N8O6S2 742.329472 NA MeJP NA NA +C15734 Patellamide A C35H50N8O6S2 742.3295 NA KEGG NA NA +3650 NA YPFGFN~ 742.3309 ACE inhibitor Inhouse_peptide NA peptide +PJ025598 SSQKMY C31H50N8O11S 742.332 NA PeJP NA NA +PJ025599 LDFYW C39H46N6O9 742.3326 NA PeJP NA NA +PJ025600 VEFYW C39H46N6O9 742.3327 NA PeJP NA NA +PJ025601 NMHRW C32H46N12O7S 742.3333 NA PeJP NA NA +PJ025602 GGMHRW C32H46N12O7S 742.3334 NA PeJP NA NA +PJ025603 SSQEHR C28H46N12O12 742.3358 NA PeJP NA NA +PJ025604 GGGGPNER C28H46N12O12 742.3359 NA PeJP NA NA +PJ025605 GPLMYY C36H50N6O9S 742.336 NA PeJP NA NA +PJ025606 PCCKHR C29H50N12O7S2 742.3367 NA PeJP NA NA +PJ025607 SVLMMY C33H54N6O9S2 742.3394 NA PeJP NA NA +PJ025608 GSKEHW C33H46N10O10 742.3399 NA PeJP NA NA +MJ092785 7,8-Epoxy-3,11,14-trihydroxy-12-oxocard-20(22)-enolide, 3-O-(Glucosyldigitaloside) C36H54O16 742.341185 NA MeJP NA NA +PJ025609 SSCKRY C30H50N10O10S 742.3432 NA PeJP NA NA +PJ025610 GGVDKMH C30H50N10O10S 742.3433 NA PeJP NA NA +PJ025611 GPPTWW C38H46N8O8 742.3439 NA PeJP NA NA +MJ092786 Disorazole B1 C42H50N2O10 742.346545 NA MeJP NA NA +MJ092787 Isopyruthaline C42H50N2O10 742.346545 NA MeJP NA NA +MJ092788 Przewalstine; 5'-Hydroxy C42H50N2O10 742.346545 NA MeJP NA NA +MJ092789 Thalmineline C42H50N2O10 742.346545 NA MeJP NA NA +PJ025612 PPVNMW C35H50N8O8S 742.3473 NA PeJP NA NA +PJ025613 PFFFW C43H46N6O6 742.3479 NA PeJP NA NA +PJ025614 ASSSTKY C31H50N8O13 742.3497 NA PeJP NA NA +PJ025615 GSSTTKY C31H50N8O13 742.3498 NA PeJP NA NA +PJ025616 ACKKMY C32H54N8O8S2 742.3506 NA PeJP NA NA +PJ025617 GSTHRW C32H46N12O9 742.3511 NA PeJP NA NA +PJ025618 LMFFW C40H50N6O6S 742.3513 NA PeJP NA NA +PJ025619 GVLEYY C36H50N6O11 742.3538 NA PeJP NA NA +PJ025620 PPCDRR C29H50N12O9S 742.3545 NA PeJP NA NA +PJ025621 SKHWW C37H46N10O7 742.3551 NA PeJP NA NA +MJ092790 3,14-Dihydroxycard-20(22)-enolide, 3-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(?6)-?-D-glucopyranoside] C40H54O13 742.356441 NA MeJP NA NA +PJ025622 GPPMRW C34H50N10O7S 742.3585 NA PeJP NA NA +PJ025623 PVNEER C30H50N10O12 742.361 NA PeJP NA NA +PJ025624 PCKKMH C31H54N10O7S2 742.3619 NA PeJP NA NA +PJ025625 GQKHHH C31H46N14O8 742.3623 NA PeJP NA NA +PJ025626 GGAKHHH C31H46N14O8 742.3624 NA PeJP NA NA +MJ092791 Hordatine B; 4'-?-D-Glucopyranoside C35H50N8O10 742.364989 NA MeJP NA NA +PJ025627 SPPKEW C35H50N8O10 742.365 NA PeJP NA NA +PJ025628 GSMHRR C28H50N14O8S 742.3657 NA PeJP NA NA +PJ025629 HHFFR C36H46N12O6 742.3664 NA PeJP NA NA +MJ092792 Andersonine C39H54N2O12 742.367675 NA MeJP NA NA +PJ025630 SSKKMY C32H54N8O10S 742.3684 NA PeJP NA NA +PJ025631 VLYYW C40H50N6O8 742.369 NA PeJP NA NA +PJ025632 GPEERR C29H50N12O11 742.3722 NA PeJP NA NA +PJ025633 GGGGPDKR C29H50N12O11 742.3723 NA PeJP NA NA +PJ025634 GLLMFY C37H54N6O8S 742.3724 NA PeJP NA NA +PJ025635 SPPTRW C34H50N10O9 742.3762 NA PeJP NA NA +PJ025636 GPVERW C34H50N10O9 742.3763 NA PeJP NA NA +MJ092793 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,3-di-O-methyl-?-D-glucopyranoside] C37H58O15 742.377571 NA MeJP NA NA +MJ092794 Aldgamycin E C37H58O15 742.377571 NA MeJP NA NA +PJ025637 PPDKMR C31H54N10O9S 742.3796 NA PeJP NA NA +PJ025638 AAPLWW C39H50N8O7 742.3803 NA PeJP NA NA +MJ092795 Disorazole A1; Deepoxy C43H54N2O9 742.382931 NA MeJP NA NA +PJ025639 SSTHRR C28H50N14O10 742.3835 NA PeJP NA NA +PJ025640 PPCLKW C36H54N8O7S 742.3837 NA PeJP NA NA +PJ025641 APPTTKE C32H54N8O12 742.3861 NA PeJP NA NA +PJ025642 PLQKEE C32H54N8O12 742.3862 NA PeJP NA NA +PJ025643 VLLMMH C33H58N8O7S2 742.387 NA PeJP NA NA +PJ025644 PERRW C33H50N12O8 742.3875 NA PeJP NA NA +PJ025645 ATLLYY C37H54N6O10 742.3902 NA PeJP NA NA +PJ025646 SPPMRR C30H54N12O8S 742.3909 NA PeJP NA NA +PJ025647 PVRWW C38H50N10O6 742.3915 NA PeJP NA NA +PJ025648 PVDKER C31H54N10O11 742.3974 NA PeJP NA NA +PJ025649 QHFRR C32H50N14O7 742.3987 NA PeJP NA NA +MJ092796 Stylostatin 1 C36H54N8O9 742.401375 NA MeJP NA NA +PJ025650 APLKEW C36H54N8O9 742.4014 NA PeJP NA NA +PJ025651 GPPTLKM C33H58N8O9S 742.4048 NA PeJP NA NA +PJ025652 GLLFFF C41H54N6O7 742.4054 NA PeJP NA NA +PJ025653 SPVERR C30H54N12O10 742.4086 NA PeJP NA NA +PJ025654 APTLRW C35H54N10O8 742.4126 NA PeJP NA NA +PJ025655 GGAPKKW C35H54N10O8 742.4127 NA PeJP NA NA +MJ092797 8(14),15-Pimaradiene-3,12-diol, 3-O-[3-O-Methyl-?-L-rhamnopyranosyl(1?2)-?-L-arabinofuranoside], 12-O-?-D-fucopyranoside C38H62O14 742.413956 NA MeJP NA NA +MJ092798 Spirostane-1,3,5-triol, 3-O-[?-D-Glucopyranosyl(1?2)-?-L-arabinopyranoside] C38H62O14 742.413956 NA MeJP NA NA +PJ025656 PVLQMR C32H58N10O8S 742.416 NA PeJP NA NA +PJ025657 GVQQRR C29H54N14O9 742.4199 NA PeJP NA NA +PJ025658 PLKKEE C33H58N8O11 742.4225 NA PeJP NA NA +PJ025659 GGAALLLE C33H58N8O11 742.4226 NA PeJP NA NA +PJ025660 APPFRR C34H54N12O7 742.4239 NA PeJP NA NA +PJ025661 APLMRR C31H58N12O7S 742.4273 NA PeJP NA NA +C11982 Avermectin A1a monosaccharide C42H62O11 742.4292 NA KEGG NA NA +PJ025662 QQRRR C28H54N16O8 742.4311 NA PeJP NA NA +PJ025663 PTLKER C32H58N10O10 742.4338 NA PeJP NA NA +PJ025664 KHFRR C33H54N14O6 742.4351 NA PeJP NA NA +PJ025665 SPLLKW C37H58N8O8 742.4378 NA PeJP NA NA +PJ025666 AAPLLKM C34H62N8O8S 742.4412 NA PeJP NA NA +PJ025667 GLLERR C31H58N12O9 742.445 NA PeJP NA NA +PJ025668 GVLLRW C36H58N10O7 742.449 NA PeJP NA NA +MJ092799 16,22,26-Trihydroxycholestan-3-one, 16-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-galactopyranoside] C39H66O13 742.450342 NA MeJP NA NA +MJ092800 Cholest-22-ene-3,6,8,15,24-pentol, 24-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinopyranoside] C39H66O13 742.450342 NA MeJP NA NA +MJ092801 Cholest-5-ene-1,3,16,22-tetrol, 1-O-?-L-Rhamnopyranoside, 16-O-?-D-glucopyranoside C39H66O13 742.450342 NA MeJP NA NA +MJ092802 Cholest-5-ene-1,3,16,22-tetrol, 1-O-?-L-Rhamnopyranoside, 3-O-?-L-galactopyranoside C39H66O13 742.450342 NA MeJP NA NA +MJ092803 Cholest-5-ene-1,3,16,22-tetrol, 16-O-?-L-Rhamnopyranoside, 1-O-?-D-glucopyranoside C39H66O13 742.450342 NA MeJP NA NA +PJ025669 PVLKMR C33H62N10O7S 742.4524 NA PeJP NA NA +PJ025670 GVQKRR C30H58N14O8 742.4562 NA PeJP NA NA +PJ025671 GGGLKRR C30H58N14O8 742.4563 NA PeJP NA NA +PJ025672 LLLQKE C34H62N8O10 742.4589 NA PeJP NA NA +PJ025673 LLRRW C35H58N12O6 742.4603 NA PeJP NA NA +PJ025674 QKRRR C29H58N16O7 742.4675 NA PeJP NA NA +PJ025675 VVLKER C33H62N10O9 742.4702 NA PeJP NA NA +PJ025676 ALLLKW C38H62N8O7 742.4742 NA PeJP NA NA +HMDB10591 PG(16:1(9Z)/18:3(6Z,9Z,12Z)) C40H71O10P 742.478455 NA HMDB2010 NA NA +HMDB10592 PG(16:1(9Z)/18:3(9Z,12Z,15Z)) C40H71O10P 742.478455 NA HMDB2010 NA NA +HMDB10661 PG(18:3(6Z,9Z,12Z)/16:1(9Z)) C40H71O10P 742.478455 NA HMDB2010 NA NA +HMDB10676 PG(18:3(9Z,12Z,15Z)/16:1(9Z)) C40H71O10P 742.478455 NA HMDB2010 NA NA +MJ092804 Argimicin A C32H62N12O8 742.481357 NA MeJP NA NA +PJ025677 SVLLRR C32H62N12O8 742.4814 NA PeJP NA NA +PJ025678 GVKKRR C31H62N14O7 742.4926 NA PeJP NA NA +PJ025679 LLLKKE C35H66N8O9 742.4953 NA PeJP NA NA +MJ092805 Mycolactone A C44H70O9 742.501983 NA MeJP NA NA +C12151 Mycolactone C44H70O9 742.502 NA KEGG NA NA +PJ025680 KKRRR C30H62N16O6 742.5039 NA PeJP NA NA +PJ025681 TLLLKR C34H66N10O8 742.5065 NA PeJP NA NA +C15935 (2'S)-Deoxymyxol 2'-(2,4-di-O-methyl-alpha-L-fucoside) C48H70O6 742.5172 NA KEGG NA NA +C15936 Magainin 2 C48H70O6 742.5172 NA KEGG NA NA +PJ025682 ALKKKR C33H66N12O7 742.5178 NA PeJP NA NA +PJ025683 VLKKKK C35H70N10O7 742.5429 NA PeJP NA NA +MJ092806 Manzamenone A C46H78O7 742.574754 NA MeJP NA NA +EUR1096 SM(d18:1/20:1) [M-H-CH3]- C43H85N2O6P 742.598876 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1096 SM(d18:1/20:1) [M-H-CH3]- C43H85N2O6P 742.598876 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1096 SM(d18:1/20:1) [M-H-CH3]- C43H85N2O6P 742.598876 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1096 SM(d18:1/20:1) [M-H-CH3]- C43H85N2O6P 742.598876 masses lipides attendues Inhousejuil11 NA NA +8335 f(195-208) of alpha S1 casein SDIPNPIGSENSEK 742.83985 MH2+ Inhouse_peptide NA peptide +7435 coeliac toxic peptide QLQPFPQQQLPY 742.8725 MH2+ Inhouse_peptide NA peptide +3190 cystatin S (1-14) SSSKEENRIIPGGI 742.88195 MH2+ Inhouse_peptide NA peptide +5450 caeridin 3 GLFDAIGNLLGGLGLG 742.9024 MH2+ Inhouse_peptide NA peptide +EUR308 Nicotinamide adenine di nucleotide phosphate F1 NA 743.073275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR308 Nicotinamide adenine di nucleotide phosphate F1 NA 743.073275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR308 Nicotinamide adenine di nucleotide phosphate F1 NA 743.073275 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR308 Nicotinamide adenine di nucleotide phosphate F1 NA 743.073275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR308 Nicotinamide adenine di nucleotide phosphate F1 NA 743.073275 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR308 Nicotinamide adenine di nucleotide phosphate F1 NA 743.073275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR308 Nicotinamide adenine di nucleotide phosphate F1 NA 743.073275 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR308 Nicotinamide adénine di nucléotide phosphate F1 NA 743.073275 standards wishlist analysés sur QTOF HMDB NA NA +EUR308 Nicotinamide adenine di nucleotide phosphate F1 NA 743.073275 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR308 Nicotinamide adenine di nucleotide phosphate F1 NA 743.073275 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR308 Nicotinamide adenine di nucleotide phosphate F1 NA 743.073275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR308 Nicotinamide adenine di nucleotide phosphate F1 NA 743.073275 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +MJ092807 Coenzyme II C21H28N7O17P3 743.075452 NA MeJP NA NA +PJ025684 GCCCDDE C24H37N7O14S3 743.1561 NA PeJP NA NA +FL7AAGGL0035 Delphinidin 3-(6''-O-4-malyl-glucosyl)-5-glucoside C31H35O21 743.16708 592522-38-8 knapsack NA NA +PJ025685 CCCDDW C28H37N7O11S3 743.1714 NA PeJP NA NA +PJ025686 SSCCDDD C24H37N7O16S2 743.1738 NA PeJP NA NA +PJ025687 SPCCCCE C25H41N7O11S4 743.1747 NA PeJP NA NA +FL7AACGL0033 Cyanidin 3-(6''-(E)-caffeylsambubioside) C35H35O18 743.18233 169210-08-6 knapsack NA NA +FL7AACGL0106 Cyanidin 3-(6''-(Z)-caffeylsambubioside) C35H35O18 743.18233 169210-09-7 knapsack NA NA +PJ025688 ACCCCNQ C24H41N9O10S4 743.1859 NA PeJP NA NA +PJ025689 GCCCNNM C24H41N9O10S4 743.186 NA PeJP NA NA +PJ025690 GSCCDEM C25H41N7O13S3 743.1925 NA PeJP NA NA +PJ025691 PCCCCCL C26H45N7O8S5 743.1933 NA PeJP NA NA +PJ025692 GPCCCMM C26H45N7O8S5 743.1934 NA PeJP NA NA +FL7AACGA0005 Cyanidin 3-glucosyl-(1->6)-[xylosyl-(1->2)-galactoside] C32H39O20 743.20346 - knapsack NA NA +FL7AACGL0017 Cyanidin 3-sambubioside-5-glucoside C32H39O20 743.20346 53925-33-0 knapsack NA NA +FL7AAGGL0009 Delphinidin 3-(2G-xylosylrutinoside) C32H39O20 743.20346 164739-17-7 knapsack NA NA +C08612 Cyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside) C32H39O20 743.2035 NA KEGG NA NA +PJ025693 SSCCCNQ C24H41N9O12S3 743.2037 NA PeJP NA NA +PJ025694 CNDDDY C28H37N7O15S 743.2069 NA PeJP NA NA +PJ025695 SCCDMW C29H41N7O10S3 743.2077 NA PeJP NA NA +PJ025696 SSSCDDM C25H41N7O15S2 743.2102 NA PeJP NA NA +PJ025697 CNDMMM C26H45N7O10S4 743.2111 NA PeJP NA NA +MetaCyc04090 dihydrostreptomycin 3'-α-6-bisphosphate [] C21H43N7O18P2 743.213981 NA metacyc NA NA +C01280 Dihydrostreptomycin 3'alpha,6-bisphosphate C21H43N7O18P2 743.214 NA KEGG NA NA +C01281 [L-Glutamate:ammonia ligase (ADP-forming)] C10H10N2O3R2 743.214 NA KEGG NA NA +C01282 1-Acyl-2-oleoyl-sn-glycero-3-phosphocholine C27H52NO8PR 743.214 NA KEGG NA NA +C04458 Dihydrostreptomycin 6,3''-bis-phosphate C21H43N7O18P2 743.214 NA KEGG NA NA +C04459 Glucuronoxylan 4-O-methyl-D-glucuronate C21H43N7O18P2 743.214 NA KEGG NA NA +PJ025698 GSSSSCCN C24H41N9O14S2 743.2215 NA PeJP NA NA +PJ025699 CCCEMR C25H45N9O9S4 743.2223 NA PeJP NA NA +PJ025700 GGACCCCK C25H45N9O9S4 743.2224 NA PeJP NA NA +PJ025701 GSPCCDY C29H41N7O12S2 743.2255 NA PeJP NA NA +PJ025702 ACCMMW C30H45N7O7S4 743.2264 NA PeJP NA NA +PJ025703 GSSCEMM C26H45N7O12S3 743.2289 NA PeJP NA NA +PJ025704 CCNMHH C27H41N11O8S3 743.2302 NA PeJP NA NA +PJ025705 NDDDEH C27H37N9O16 743.2359 NA PeJP NA NA +PJ025706 CCNNQY C28H41N9O11S2 743.2367 NA PeJP NA NA +PJ025707 SSCCCNK C25H45N9O11S3 743.2401 NA PeJP NA NA +PJ025708 ACCDFW C33H41N7O9S2 743.2407 NA PeJP NA NA +PJ025709 GCCEFW C33H41N7O9S2 743.2408 NA PeJP NA NA +PJ025710 SNDDMY C29H41N7O14S 743.2432 NA PeJP NA NA +PJ025711 GGSDDMY C29H41N7O14S 743.2433 NA PeJP NA NA +PJ025712 SSCMMW C30H45N7O9S3 743.2441 NA PeJP NA NA +PJ025713 SSSSDMM C26H45N7O14S2 743.2466 NA PeJP NA NA +PJ025714 SNMMMM C27H49N7O9S4 743.2475 NA PeJP NA NA +PJ025715 GSTCCHH C27H41N11O10S2 743.248 NA PeJP NA NA +PJ025716 GDDDHW C31H37N9O13 743.2511 NA PeJP NA NA +C06228 Ferrichrome C27H45FeN9O12 743.2537 NA KEGG NA NA +PJ025717 GSSCNNY C28H41N9O13S 743.2545 NA PeJP NA NA +PJ025718 PCCCRY C29H45N9O8S3 743.2554 NA PeJP NA NA +PJ025719 CCFWW C37H41N7O6S2 743.256 NA PeJP NA NA +PJ025720 GSCEYW C33H41N7O11S 743.2585 NA PeJP NA NA +PJ025721 TCCMMR C26H49N9O8S4 743.2587 NA PeJP NA NA +PJ025722 GSSSDEY C29H41N7O16 743.261 NA PeJP NA NA +PJ025723 GNEMMY C30H45N7O11S2 743.2619 NA PeJP NA NA +PJ025724 GSSTMMM C27H49N7O11S3 743.2652 NA PeJP NA NA +PJ025725 SSSSCHH C27H41N11O12S 743.2657 NA PeJP NA NA +PJ025726 SPCDHW C32H41N9O10S 743.2697 NA PeJP NA NA +PJ025727 SNEEEH C28H41N9O15 743.2722 NA PeJP NA NA +PJ025728 GGSEEEH C28H41N9O15 743.2723 NA PeJP NA NA +PJ025729 GCDMRY C29H45N9O10S2 743.2731 NA PeJP NA NA +PJ025730 SCYWW C37H41N7O8S 743.2737 NA PeJP NA NA +PJ025731 SSSDYW C33H41N7O13 743.2763 NA PeJP NA NA +PJ025732 NMMYW C34H45N7O8S2 743.2771 NA PeJP NA NA +PJ025733 SSQEMY C30H45N7O13S 743.2796 NA PeJP NA NA +PJ025734 PCCKMY C31H49N7O8S3 743.2805 NA PeJP NA NA +PJ025735 GCNQHW C31H41N11O9S 743.281 NA PeJP NA NA +PJ025736 SSSTTMM C27H49N7O13S2 743.283 NA PeJP NA NA +PJ025737 SDDDHR C27H41N11O14 743.2835 NA PeJP NA NA +PJ025738 TCKMMM C28H53N7O8S4 743.2839 NA PeJP NA NA +PJ025739 PCCEHR C28H45N11O9S2 743.2844 NA PeJP NA NA +PJ025740 GSEEHW C32H41N9O12 743.2875 NA PeJP NA NA +PJ025741 APCMHW C33H45N9O7S2 743.2884 NA PeJP NA NA +PJ025742 SSCERY C29H45N9O12S 743.2909 NA PeJP NA NA +PJ025743 NDFYW C37H41N7O10 743.2915 NA PeJP NA NA +PJ025744 GCMMFR C30H49N9O7S3 743.2917 NA PeJP NA NA +PJ025745 PCNHHH C30H41N13O8S 743.2922 NA PeJP NA NA +MJ092808 Lissoclinamide 4; 18?,19-Dihydro C38H45N7O5S2 743.292358 NA MeJP NA NA +PJ025746 GSTMYW C34H45N7O10S 743.2949 NA PeJP NA NA +PJ025747 GSSTTEY C30H45N7O15 743.2974 NA PeJP NA NA +MJ092809 3-(Methylthio)rifamycin C38H49NO12S 743.297546 NA MeJP NA NA +MJ092810 Awamycin C38H49NO12S 743.297546 NA MeJP NA NA +PJ025748 ATQMMY C31H49N7O10S2 743.2982 NA PeJP NA NA +PJ025749 GDKMMY C31H49N7O10S2 743.2983 NA PeJP NA NA +PJ025750 SSNNHW C31H41N11O11 743.2987 NA PeJP NA NA +PJ025751 GDEMHR C28H45N11O11S 743.3021 NA PeJP NA NA +PJ025752 SEHWW C36H41N9O9 743.3027 NA PeJP NA NA +PJ025753 AAEMHW C33H45N9O9S 743.3061 NA PeJP NA NA +PJ025754 SDKEEH C29H45N9O14 743.3086 NA PeJP NA NA +PJ025755 GGGGGPVDE C29H45N9O14 743.3087 NA PeJP NA NA +PJ025756 GSMMRY C30H49N9O9S2 743.3095 NA PeJP NA NA +PJ025757 GQEHHH C30H41N13O10 743.31 NA PeJP NA NA +PJ025758 NMFFW C38H45N7O7S 743.3101 NA PeJP NA NA +PJ025759 GGMFFW C38H45N7O7S 743.3102 NA PeJP NA NA +PJ025760 SSTTYW C34H45N7O12 743.3126 NA PeJP NA NA +PJ025761 SPPEEW C34H45N7O12 743.3127 NA PeJP NA NA +PJ025762 SCNQHR C27H45N13O10S 743.3133 NA PeJP NA NA +PJ025763 GGGGTCHR C27H45N13O10S 743.3134 NA PeJP NA NA +PJ025764 PCCKFF C35H49N7O7S2 743.3135 NA PeJP NA NA +3695 NA YPFGFGG 743.314 ACE inhibitor Inhouse_peptide NA peptide +3602 NA YPFGFD~ 743.3149 ACE inhibitor Inhouse_peptide NA peptide +PJ025765 SSKEMY C31H49N7O12S 743.316 NA PeJP NA NA +PJ025766 GKMMMF C32H53N7O7S3 743.3169 NA PeJP NA NA +PJ025767 DMHRW C32H45N11O8S 743.3174 NA PeJP NA NA +MJ092811 Streptomycin B C27H49N7O17 743.318493 NA MeJP NA NA +PJ025768 ASSSQQH C28H45N11O13 743.3198 NA PeJP NA NA +PJ025769 SSEEHR C28H45N11O13 743.3199 NA PeJP NA NA +PJ025770 PTCMHR C29H49N11O8S2 743.3207 NA PeJP NA NA +PJ025771 CLHWW C37H45N9O6S 743.3214 NA PeJP NA NA +PJ025772 ATTEHW C33H45N9O11 743.3239 NA PeJP NA NA +PJ025773 QHHHW C34H41N13O7 743.3252 NA PeJP NA NA +PJ025774 SSTMRY C30H49N9O11S 743.3272 NA PeJP NA NA +PJ025775 PPDEMR C30H49N9O11S 743.3273 NA PeJP NA NA +PJ025776 VNYYW C38H45N7O9 743.3279 NA PeJP NA NA +PJ025777 GSSSNHR C27H45N13O12 743.3311 NA PeJP NA NA +PJ025778 PPVDMW C35H49N7O9S 743.3313 NA PeJP NA NA +PJ025779 SSSSTLY C31H49N7O14 743.3338 NA PeJP NA NA +PJ025780 ATKMMY C32H53N7O9S2 743.3346 NA PeJP NA NA +PJ025781 PPPVTCM C32H53N7O9S2 743.3347 NA PeJP NA NA +PJ025782 GPNDRW C32H45N11O10 743.3351 NA PeJP NA NA +PJ025783 ATEMHR C29H49N11O10S 743.3385 NA PeJP NA NA +PJ025784 PQQWW C37H45N9O8 743.3391 NA PeJP NA NA +MJ092812 Pseudotheonamide B2 C37H45N9O8 743.339109 NA MeJP NA NA +PJ025785 GGAAPWW C37H45N9O8 743.3392 NA PeJP NA NA +PJ025786 GTLMHW C34H49N9O8S 743.3425 NA PeJP NA NA +PJ025787 HFFFF C42H45N7O6 743.3432 NA PeJP NA NA +PJ025788 PVDEER C30H49N9O13 743.345 NA PeJP NA NA +PJ025789 PTKMMH C31H53N9O8S2 743.3459 NA PeJP NA NA +PJ025790 SVQHHH C31H45N13O9 743.3463 NA PeJP NA NA +PJ025791 GNNHFR C31H45N13O9 743.3464 NA PeJP NA NA +PJ025792 APLEEW C35H49N7O11 743.349 NA PeJP NA NA +PJ025793 SCNKHR C28H49N13O9S 743.3497 NA PeJP NA NA +PJ025794 APPHHW C36H45N11O7 743.3504 NA PeJP NA NA +PJ025795 TTTKMY C32H53N7O11S 743.3524 NA PeJP NA NA +PJ025796 CFRRY C33H49N11O7S 743.3537 NA PeJP NA NA +PJ025797 GPMHFR C33H49N11O7S 743.3538 NA PeJP NA NA +PJ025798 TTTEHR C29H49N11O12 743.3562 NA PeJP NA NA +PJ025799 GGGAPTER C29H49N11O12 743.3563 NA PeJP NA NA +PJ025800 GLMMHR C30H53N11O7S2 743.3571 NA PeJP NA NA +PJ025801 GTHHHR C30H45N15O8 743.3576 NA PeJP NA NA +PJ025802 STTLHW C34H49N9O10 743.3603 NA PeJP NA NA +PJ025803 KHHHW C35H45N13O6 743.3616 NA PeJP NA NA +PJ025804 SLKEMH C31H53N9O10S 743.3636 NA PeJP NA NA +PJ025805 GGGPPTKM C31H53N9O10S 743.3637 NA PeJP NA NA +PJ025806 TKFYW C39H49N7O8 743.3643 NA PeJP NA NA +7436 coeliac toxic peptide QLQPFPQQELPY 743.3645 MH2+ Inhouse_peptide NA peptide +PJ025807 SPNDRR C28H49N13O11 743.3675 NA PeJP NA NA +PJ025808 PPTLMW C36H53N7O8S 743.3677 NA PeJP NA NA +PJ025809 PLKEEE C32H53N7O13 743.3702 NA PeJP NA NA +PJ025810 GPPVLMM C33H57N7O8S2 743.371 NA PeJP NA NA +PJ025811 GPTQRW C33H49N11O9 743.3715 NA PeJP NA NA +PJ025812 STLMHR C30H53N11O9S 743.3749 NA PeJP NA NA +PJ025813 PQKWW C38H49N9O7 743.3755 NA PeJP NA NA +PJ025814 GNNQRR C27H49N15O10 743.3787 NA PeJP NA NA +PJ025815 KMFRY C35H53N9O7S 743.3789 NA PeJP NA NA +PJ025816 PTLEER C31H53N9O12 743.3814 NA PeJP NA NA +PJ025817 PPLMMR C32H57N9O7S2 743.3823 NA PeJP NA NA +PJ025818 EHFRR C32H49N13O8 743.3827 NA PeJP NA NA +PJ025819 SPLLEW C36H53N7O10 743.3854 NA PeJP NA NA +PJ025820 GPQMRR C29H53N13O8S 743.3861 NA PeJP NA NA +PJ025821 VHFRW C37H49N11O6 743.3868 NA PeJP NA NA +MJ092813 Lituarine C; 5-Ac C40H57NO12 743.388076 NA MeJP NA NA +PJ025822 AAPLLEM C33H57N7O10S 743.3888 NA PeJP NA NA +PJ025823 SPQKER C30H53N11O11 743.3926 NA PeJP NA NA +PJ025824 GGGGVLER C30H53N11O11 743.3927 NA PeJP NA NA +3581 NA FRHSVV 743.395 ACE inhibitor Inhouse_peptide NA peptide +PJ025825 AVLQQW C35H53N9O9 743.3966 NA PeJP NA NA +PJ025826 GPKKEW C35H53N9O9 743.3967 NA PeJP NA NA +PJ025827 GPCRRR C28H53N15O7S 743.3974 NA PeJP NA NA +PJ025828 PVLEMR C32H57N9O9S 743.4 NA PeJP NA NA +PJ025829 PPVVFW C40H53N7O7 743.4007 NA PeJP NA NA +PJ025830 GVQERR C29H53N13O10 743.4039 NA PeJP NA NA +PJ025831 PVVLMW C37H57N7O7S 743.4041 NA PeJP NA NA +PJ025832 APTTLLE C33H57N7O12 743.4065 NA PeJP NA NA +PJ025833 LLLQEE C33H57N7O12 743.4066 NA PeJP NA NA +PJ025834 GPTKRW C34H53N11O8 743.4079 NA PeJP NA NA +C12003 Demethyllactenocin C37H61NO14 743.4092 NA KEGG NA NA +C14062 Leucomycin A9 C37H61NO14 743.4092 NA KEGG NA NA +MJ092814 Antibiotic PA 153 C37H61NO14 743.409205 NA MeJP NA NA +MJ092815 Leucomycin A9 C37H61NO14 743.409205 NA MeJP NA NA +MJ092816 Leucomycin V; O3-Ac C37H61NO14 743.409205 NA MeJP NA NA +MJ092817 Tylosin B; 2C,3C-Di-O-de-Me C37H61NO14 743.409205 NA MeJP NA NA +MJ092818 Formobactin C38H57N5O10 743.410543 NA MeJP NA NA +PJ025835 PVNKMR C31H57N11O8S 743.4113 NA PeJP NA NA +PJ025836 PKKWW C39H53N9O6 743.4119 NA PeJP NA NA +PJ025837 QERRR C28H53N15O9 743.4151 NA PeJP NA NA +PJ025838 VVLEER C32H57N9O11 743.4178 NA PeJP NA NA +PJ025839 VQRRW C33H53N13O7 743.4191 NA PeJP NA NA +PJ025840 ALLLEW C37H57N7O9 743.4218 NA PeJP NA NA +PJ025841 GPKMRR C30H57N13O7S 743.4225 NA PeJP NA NA +PJ025842 GPTLLLM C34H61N7O9S 743.4252 NA PeJP NA NA +PJ025843 SPKKER C31H57N11O10 743.429 NA PeJP NA NA +PJ025844 ARRRW C32H53N15O6 743.4304 NA PeJP NA NA +PJ025845 SPVKKW C36H57N9O8 743.433 NA PeJP NA NA +PJ025846 GGAILKW C36H57N9O8 743.4331 NA PeJP NA NA +PJ025847 PLQKKM C33H61N9O8S 743.4364 NA PeJP NA NA +PJ025848 ANQKKR C30H57N13O9 743.4402 NA PeJP NA NA +PJ025849 GVKERR C30H57N13O9 743.4403 NA PeJP NA NA +PJ025850 LLLKEE C34H61N7O11 743.4429 NA PeJP NA NA +PJ025851 AALKRW C35H57N11O7 743.4443 NA PeJP NA NA +MJ092819 Tylosin; 23-O-Deglycosyl, 20-alcohol C38H65NO13 743.445591 NA MeJP NA NA +PJ025852 PCLKKR C32H61N11O7S 743.4476 NA PeJP NA NA +PJ025853 KERRR C29H57N15O8 743.4515 NA PeJP NA NA +PJ025854 TLLLER C33H61N9O10 743.4542 NA PeJP NA NA +PJ025855 VKRRW C34H57N13O6 743.4555 NA PeJP NA NA +PJ025856 SLLLLW C38H61N7O8 743.4582 NA PeJP NA NA +PJ025857 AALLLLM C35H65N7O8S 743.4616 NA PeJP NA NA +PJ025858 TRRRR C28H57N17O7 743.4627 NA PeJP NA NA +PJ025859 ALKKER C32H61N11O9 743.4654 NA PeJP NA NA +PJ025860 GLLKKW C37H61N9O7 743.4694 NA PeJP NA NA +PJ025861 VLLLMR C34H65N9O7S 743.4728 NA PeJP NA NA +PJ025862 ATLKRR C31H61N13O8 743.4766 NA PeJP NA NA +PJ025863 ATTLLLL C35H65N7O10 743.4793 NA PeJP NA NA +C09609 Pilocereine C45H65N3O6 743.4873 NA KEGG NA NA +MJ092820 Pilocereine C45H65N3O6 743.487336 NA MeJP NA NA +PJ025864 VLKKKE C34H65N9O9 743.4906 NA PeJP NA NA +PJ025865 SLLKKR C33H65N11O8 743.5018 NA PeJP NA NA +MJ092821 Pseudoargiopinin; Pseudoargiopinin I C36H63N12O5 743.504438 NA MeJP NA NA +PJ025866 GKKKKR C32H65N13O7 743.513 NA PeJP NA NA +EUR696 PC(34:2) [M-H-CH3]- C42H80NO8P 743.546507 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR946 PC 34:2 [M-H-CH3]- C42H80NO8P 743.546507 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR696 PC(34:2) [M-H-CH3]- C42H80NO8P 743.546507 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR946 PC 34:2 [M-H-CH3]- C42H80NO8P 743.546507 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR696 PC(34:2) [M-H-CH3]- C42H80NO8P 743.546507 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR946 PC 34:2 [M-H-CH3]- C42H80NO8P 743.546507 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR696 PC(34:2) [M-H-CH3]- C42H80NO8P 743.546507 masses lipides attendues Inhousejuil11 NA NA +EUR946 PC 34:2 [M-H-CH3]- C42H80NO8P 743.546507 masses lipides attendues Inhousejuil11 NA NA +HMDB07940 PC(15:0/18:2(9Z,12Z)) C41H78NO8P 743.546509 NA HMDB2010 NA NA +HMDB08132 PC(18:2(9Z,12Z)/15:0) C41H78NO8P 743.546509 NA HMDB2010 NA NA +HMDB08843 PE(14:0/22:2(13Z,16Z)) C41H78NO8P 743.546509 NA HMDB2010 NA NA +HMDB08875 PE(14:1(9Z)/22:1(13Z)) C41H78NO8P 743.546509 NA HMDB2010 NA NA +HMDB08934 PE(16:0/20:2(11Z,14Z)) C41H78NO8P 743.546509 NA HMDB2010 NA NA +HMDB08966 PE(16:1(9Z)/20:1(11Z)) C41H78NO8P 743.546509 NA HMDB2010 NA NA +HMDB08994 PE(18:0/18:2(9Z,12Z)) C41H78NO8P 743.546509 NA HMDB2010 NA NA +HMDB09025 PE(18:1(11Z)/18:1(11Z)) C41H78NO8P 743.546509 NA HMDB2010 NA NA +HMDB09026 PE(18:1(11Z)/18:1(9Z)) C41H78NO8P 743.546509 NA HMDB2010 NA NA +HMDB09058 PE(18:1(9Z)/18:1(11Z)) C41H78NO8P 743.546509 NA HMDB2010 NA NA +HMDB09059 PE(18:1(9Z)/18:1(9Z)) C41H78NO8P 743.546509 NA HMDB2010 NA NA +HMDB09090 PE(18:2(9Z,12Z)/18:0) C41H78NO8P 743.546509 NA HMDB2010 NA NA +HMDB09254 PE(20:1(11Z)/16:1(9Z)) C41H78NO8P 743.546509 NA HMDB2010 NA NA +HMDB09286 PE(20:2(11Z,14Z)/16:0) C41H78NO8P 743.546509 NA HMDB2010 NA NA +HMDB09515 PE(22:1(13Z)/14:1(9Z)) C41H78NO8P 743.546509 NA HMDB2010 NA NA +HMDB09547 PE(22:2(13Z,16Z)/14:0) C41H78NO8P 743.546509 NA HMDB2010 NA NA +HMDB00584 Dioleoylphosphatidylethanolamine C41H78NO8P 743.54651 http://www.hmdb.ca/metabolites/HMDB00584 HMDB NA NA +HMDB05332 GPEtn(18:0/18:2(9Z,12Z))[U] C41H78NO8P 743.54651 http://www.hmdb.ca/metabolites/HMDB05332 HMDB NA NA +HMDB05343 GPEtn(18:1(11Z)/18:1(9Z))[U] C41H78NO8P 743.54651 http://www.hmdb.ca/metabolites/HMDB05343 HMDB NA NA +HMDB05347 GPEtn(18:1(9Z)/18:1(9Z))[U] C41H78NO8P 743.54651 http://www.hmdb.ca/metabolites/HMDB05347 HMDB NA NA +HMDB00584 Dioleoylphosphatidylethanolamine C41H78NO8P 743.54651 HMDB00584 PFEM_hmdb_metabocards_official NA NA +HMDB05332 GPEtn(18:0/18:2(9Z,12Z))[U] C41H78NO8P 743.54651 HMDB05332 PFEM_hmdb_metabocards_official NA NA +HMDB05343 GPEtn(18:1(11Z)/18:1(9Z))[U] C41H78NO8P 743.54651 HMDB05343 PFEM_hmdb_metabocards_official NA NA +HMDB05347 GPEtn(18:1(9Z)/18:1(9Z))[U] C41H78NO8P 743.54651 HMDB05347 PFEM_hmdb_metabocards_official NA NA +MJ092822 2-Amino-9-methyl-4,7-octadecadiene-1,3,9-triol, N-(2R-Hydroxyhexadecanoyl), 1-O-?-D-glucopyranoside C41H77NO10 743.554747 NA MeJP NA NA +MJ092823 2-Amino-9-methylene-4-octadecene-1,3,8-triol, N-(2R-Hydroxyhexadecanoyl), 1-O-?-D-glucopyranoside C41H77NO10 743.554747 NA MeJP NA NA +HMDB07996 PC(16:0/P-18:1(11Z)) C42H82NO7P 743.582886 NA HMDB2010 NA NA +HMDB07997 PC(16:0/P-18:1(9Z)) C42H82NO7P 743.582886 NA HMDB2010 NA NA +HMDB08028 PC(16:1(9Z)/P-18:0) C42H82NO7P 743.582886 NA HMDB2010 NA NA +HMDB08093 PC(18:1(11Z)/P-16:0) C42H82NO7P 743.582886 NA HMDB2010 NA NA +HMDB08126 PC(18:1(9Z)/P-16:0) C42H82NO7P 743.582886 NA HMDB2010 NA NA +HMDB11151 PC(O-16:0/18:2(9Z,12Z)) C42H82NO7P 743.582886 NA HMDB2010 NA NA +HMDB11209 PC(P-16:0/18:1(11Z)) C42H82NO7P 743.582886 NA HMDB2010 NA NA +HMDB11210 PC(P-16:0/18:1(9Z)) C42H82NO7P 743.582886 NA HMDB2010 NA NA +HMDB11240 PC(P-18:0/16:1(9Z)) C42H82NO7P 743.582886 NA HMDB2010 NA NA +HMDB11272 PC(P-18:1(11Z)/16:0) C42H82NO7P 743.582886 NA HMDB2010 NA NA +HMDB11305 PC(P-18:1(9Z)/16:0) C42H82NO7P 743.582886 NA HMDB2010 NA NA +HMDB00770 N-Glycoloylganglioside GM2 C43H85NO8 743.6275 http://www.hmdb.ca/metabolites/HMDB00770 HMDB NA NA +HMDB00770 N-Glycoloylganglioside GM2 C43H85NO8 743.6275 HMDB00770 PFEM_hmdb_metabocards_official NA NA +HMDB00770 N-Glycoloylganglioside GM2 C43H85NO8 743.627502 NA HMDB2010 NA NA +MJ092824 Gluconic acid, Antimonic acid diester, tri-Na salt C12H17Na3O17Sb2 743.823519 NA MeJP NA NA +MJ092825 Verticillin C C30H28N6O7S5 744.0623 NA MeJP NA NA +HMDB00217 NADP C21H29N7O17P3 744.08325 http://www.hmdb.ca/metabolites/HMDB00217 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00217 NADP C21H29N7O17P3 744.08325 http://www.hmdb.ca/metabolites/HMDB00217 HMDB NA NA +HMDB00217 NADP C21H29N7O17P3 744.08325 http://www.hmdb.ca/metabolites/HMDB00217 PFEM_hmdb_metabocards_blood NA blood +HMDB00217 NADP C21H29N7O17P3 744.08325 HMDB00217 PFEM_hmdb_metabocards_official NA NA +HMDB00217 NADP C21H29N7O17P3 744.083252 NA HMDB2010 NA NA +MJ092826 NADP+ C21H29N7O17P3 744.083277 NA MeJP NA NA +MetaCyc04091 NADP+ [coenzyme II;triphosphopyridine nucleotide;nicotinamide adenine dinucleotide phosphate;NADP-oxidized;NADP-ox;NADP+;TPN;TPN+;TPN-ox;nicotinamide adenine dinucleotide-P;NADP(+);NADP;] C21H29N7O17P3 744.083277 53-59-8 metacyc NA NA +EUR059 Nicotinamide adenine dinucleotide phosphate C21H29N7O17P3 744.083287 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR059 Nicotinamide adenine dinucleotide phosphate C21H29N7O17P3 744.083287 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR059 Nicotinamide adenine dinucleotide phosphate C21H29N7O17P3 744.083287 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR059 Nicotinamide adenine dinucleotide phosphate C21H29N7O17P3 744.083287 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR059 Nicotinamide adenine dinucleotide phosphate C21H29N7O17P3 744.083287 Wishlist HMDB NA NA +EUR059 Nicotinamide adenine dinucleotide phosphate C21H29N7O17P3 744.083287 Wishlist Inhouse_PFEM NA NA +EUR059 Nicotinamide adenine dinucleotide phosphate C21H29N7O17P3 744.083287 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR059 Nicotinamide adenine dinucleotide phosphate C21H29N7O17P3 744.083287 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR059 nicotinamide adenine dinucleotide phosphate C21H29N7O17P3 744.0833 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR059 nicotinamide adenine dinucleotide phosphate C21H29N7O17P3 744.0833 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR059 nicotinamide adenine dinucleotide phosphate C21H29N7O17P3 744.0833 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR059 nicotinamide adenine dinucleotide phosphate C21H29N7O17P3 744.0833 Wishlist Inhousejuil11 NA NA +C00006 NADP+ C21H29N7O17P3 744.0833 NA KEGG NA NA +MJ092827 Whyteone C44H24O12 744.126776 NA MeJP NA NA +MJ092828 Clathridine A; Zn complex C32H28N10O8Zn 744.138304 NA MeJP NA NA +PJ025867 PCCCCCN C24H40N8O9S5 744.1522 NA PeJP NA NA +PJ025868 GCCCNDM C24H40N8O11S4 744.17 NA PeJP NA NA +MJ092829 Aqua[5,8-bis(carboxymethyl)-3-oxo-11-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-phenyl-2,5,8,1-tetrazatridecan-13-oato(3-)]gadolinium C28H36GdN5O9 744.175403 NA MeJP NA NA +PJ025869 CCCCQW C28H40N8O8S4 744.1852 NA PeJP NA NA +PJ025870 SSCCCNE C24H40N8O13S3 744.1877 NA PeJP NA NA +PJ025871 CDDDDY C28H36N6O16S 744.1909 NA PeJP NA NA +PJ025872 CDDMMM C26H44N6O11S4 744.1951 NA PeJP NA NA +PJ025873 GSSCCCW C28H40N8O10S3 744.203 NA PeJP NA NA +MJ092830 Paulomycin D C31H40N2O17S 744.204768 NA MeJP NA NA +PJ025874 GSSSSCCD C24H40N8O15S2 744.2055 NA PeJP NA NA +PJ025875 GSCCNMM C25H44N8O10S4 744.2063 NA PeJP NA NA +PJ025876 GGGSCCMM C25H44N8O10S4 744.2064 NA PeJP NA NA +PJ025877 CDDDMF C29H40N6O13S2 744.2095 NA PeJP NA NA +PJ025878 CCDMHH C27H40N10O9S3 744.2142 NA PeJP NA NA +PJ025879 GTCCCCR C24H44N10O9S4 744.2176 NA PeJP NA NA +PJ025880 DDDDEH C27H36N8O17 744.2199 NA PeJP NA NA +PJ025881 CCNNEY C28H40N8O12S2 744.2207 NA PeJP NA NA +PJ025882 GGGGCCEY C28H40N8O12S2 744.2208 NA PeJP NA NA +PJ025883 CCCCKW C29H44N8O7S4 744.2216 NA PeJP NA NA +PJ025884 SSSCCQM C25H44N8O12S3 744.2241 NA PeJP NA NA +PJ025885 SDDDMY C29H40N6O15S 744.2273 NA PeJP NA NA +PJ025886 PCCEMY C30H44N6O10S3 744.2281 NA PeJP NA NA +PJ025887 SDMMMM C27H48N6O10S4 744.2315 NA PeJP NA NA +PJ025888 GPCCNDH C27H40N10O11S2 744.232 NA PeJP NA NA +PJ025889 SSSCCCR C24H44N10O11S3 744.2353 NA PeJP NA NA +PJ025890 GCCNYW C32H40N8O9S2 744.236 NA PeJP NA NA +PJ025891 GSSCNDY C28H40N8O14S 744.2385 NA PeJP NA NA +PJ025892 CCNQMF C29H44N8O9S3 744.2394 NA PeJP NA NA +PJ025893 GSSSSSCM C25H44N8O14S2 744.2419 NA PeJP NA NA +PJ025894 GTCCCKM C26H48N8O9S4 744.2427 NA PeJP NA NA +PJ025895 GDEMMY C30H44N6O12S2 744.2459 NA PeJP NA NA +MJ092831 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3-(3,4-Dihydroxyphenyl)propanoyl-(?4)-[?-D-apiofuranosyl-(?3)]-[?-D-apiofuranosyl-(?6)]-?-D-glucopyranoside] C33H44O19 744.247679 NA MeJP NA NA +PJ025896 NNDDMH C27H40N10O13S 744.2497 NA PeJP NA NA +PJ025897 GGGGDDMH C27H40N10O13S 744.2498 NA PeJP NA NA +PJ025898 AMMMMM C28H52N6O7S5 744.2501 NA PeJP NA NA +PJ025899 CCCNFR C28H44N10O8S3 744.2506 NA PeJP NA NA +PJ025900 SDEEEH C28H40N8O16 744.2563 NA PeJP NA NA +PJ025901 SCNQMY C29H44N8O11S2 744.2571 NA PeJP NA NA +PJ025902 SSSSSSTC C25H44N8O16S 744.2596 NA PeJP NA NA +PJ025903 GDDEFY C33H40N6O14 744.2603 NA PeJP NA NA +PJ025904 SSSCCKM C26H48N8O11S3 744.2605 NA PeJP NA NA +PJ025905 GSCNNNH C26H40N12O12S 744.261 NA PeJP NA NA +PJ025906 DMMYW C34H44N6O9S2 744.2611 NA PeJP NA NA +PJ025907 PCCEFF C34H44N6O9S2 744.2612 NA PeJP NA NA +PJ025908 SSEEMY C30H44N6O14S 744.2636 NA PeJP NA NA +PJ025909 PTCMMY C31H48N6O9S3 744.2645 NA PeJP NA NA +PJ025910 GCNEHW C31H40N10O10S 744.265 NA PeJP NA NA +PJ025911 GSSNDEH C27H40N10O15 744.2675 NA PeJP NA NA +PJ025912 TTMMMM C28H52N6O9S4 744.2679 NA PeJP NA NA +PJ025913 SCCNRY C28H44N10O10S2 744.2683 NA PeJP NA NA +PJ025914 GGSCCRY C28H44N10O10S2 744.2684 NA PeJP NA NA +PJ025915 GNNDYY C32H40N8O13 744.2715 NA PeJP NA NA +PJ025916 GSSSNMY C29H44N8O13S 744.2749 NA PeJP NA NA +PJ025917 DDFYW C37H40N6O11 744.2755 NA PeJP NA NA +PJ025918 CCNKMF C30H48N8O8S3 744.2758 NA PeJP NA NA +PJ025919 PCDHHH C30H40N12O9S 744.2762 NA PeJP NA NA +PJ025920 GPDMYY C34H44N6O11S 744.2789 NA PeJP NA NA +PJ025921 MMMFW C35H48N6O6S3 744.2798 NA PeJP NA NA +PJ025922 CNHWW C35H40N10O7S 744.2802 NA PeJP NA NA +PJ025923 GGCHWW C35H40N10O7S 744.2803 NA PeJP NA NA +PJ025924 ATEMMY C31H48N6O11S2 744.2823 NA PeJP NA NA +PJ025925 SSNDHW C31H40N10O12 744.2827 NA PeJP NA NA +PJ025926 GGSSDHW C31H40N10O12 744.2828 NA PeJP NA NA +PJ025927 ACMHHF C32H44N10O7S2 744.2836 NA PeJP NA NA +MJ092832 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 4,9'-di-O-?-D-glucopyranoside C34H48O18 744.284064 NA MeJP NA NA +MJ092833 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] C34H48O18 744.284064 NA MeJP NA NA +MJ092834 3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5,5'-Tetra-Me ether, 4,4'-di-O-?-D-glucopyranoside C34H48O18 744.284064 NA MeJP NA NA +MJ092835 3,3',4,4',5,5',9-Heptahydroxy-9,9'-epoxy-7,7'-lignan, 3,3',5,5'-Tetra-Me ether, 4,4'-di-O-?-D-glucopyranoside C34H48O18 744.284064 NA MeJP NA NA +PJ025928 SNQEMH C28H44N10O12S 744.2861 NA PeJP NA NA +PJ025929 PPCNEW C33H44N8O10S 744.2901 NA PeJP NA NA +PJ025930 GGGGGMFY C33H44N8O10S 744.2902 NA PeJP NA NA +PJ025931 SSSSSQY C29H44N8O15 744.2926 NA PeJP NA NA +PJ025932 GGGAPEEE C29H44N8O15 744.2927 NA PeJP NA NA +PJ025933 SCNKMY C30H48N8O10S2 744.2935 NA PeJP NA NA +PJ025934 GEEHHH C30H40N12O11 744.294 NA PeJP NA NA +PJ025935 DMFFW C38H44N6O8S 744.2942 NA PeJP NA NA +PJ025936 AAEEYY C34H44N6O13 744.2967 NA PeJP NA NA +PJ025937 SCNEHR C27H44N12O11S 744.2973 NA PeJP NA NA +PJ025938 GGSCEHR C27H44N12O11S 744.2974 NA PeJP NA NA +PJ025939 GPMMFY C35H48N6O8S2 744.2975 NA PeJP NA NA +MJ092836 Meliatoxin A2; 12?-Acetoxy, 7-Ac C38H48O15 744.29932 NA MeJP NA NA +MJ092837 Trichilin B; 29-Deacyl, 29-(2-methylpropanoyl), 1,12-di-Ac C38H48O15 744.29932 NA MeJP NA NA +PJ025940 TTTEMY C31H48N6O13S 744.3 NA PeJP NA NA +PJ025941 GLMMMY C32H52N6O8S3 744.3009 NA PeJP NA NA +PJ025942 GSQMHW C32H44N10O9S 744.3014 NA PeJP NA NA +PJ025943 PNDDER C28H44N10O14 744.3039 NA PeJP NA NA +PJ025944 AQQMMH C29H48N10O9S2 744.3047 NA PeJP NA NA +PJ025945 GGVNMMH C29H48N10O9S2 744.3048 NA PeJP NA NA +PJ025946 SNNHHH C29H40N14O10 744.3052 NA PeJP NA NA +PJ025947 GPPCWW C37H44N8O7S 744.3054 NA PeJP NA NA +PJ025948 GPQEEW C33H44N8O12 744.3079 NA PeJP NA NA +PJ025949 EHHHW C34H40N12O8 744.3092 NA PeJP NA NA +PJ025950 GSSTCKY C30H48N8O12S 744.3113 NA PeJP NA NA +PJ025951 VDYYW C38H44N6O10 744.3119 NA PeJP NA NA +PJ025952 PVMMMH C31H52N8O7S3 744.3121 NA PeJP NA NA +PJ025953 GSCHRW C31H44N12O8S 744.3126 NA PeJP NA NA +MJ092838 11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 13-Cinnamoyl, 10-benzoyl, 2,7,9-tri-Ac C42H48O12 744.314577 NA MeJP NA NA +PJ025954 GSSSDHR C27H44N12O13 744.3151 NA PeJP NA NA +PJ025955 GGGGGGGGGGGV C27H44N12O13 744.3152 NA PeJP NA NA +PJ025956 APTMYY C35H48N6O10S 744.3153 NA PeJP NA NA +PJ025957 GNMMHR C28H48N12O8S2 744.316 NA PeJP NA NA +PJ025958 PLEEEE C31H48N6O15 744.3178 NA PeJP NA NA +PJ025959 STLMMY C32H52N6O10S2 744.3186 NA PeJP NA NA +PJ025960 GPDDRW C32H44N10O11 744.3191 NA PeJP NA NA +PJ025961 GGGGGGPTW C32H44N10O11 744.3192 NA PeJP NA NA +MJ092839 Shaagrockol B C36H56O12S2 744.321318 NA MeJP NA NA +PJ025962 GSPPCER C29H48N10O11S 744.3225 NA PeJP NA NA +PJ025963 PQEWW C37H44N8O9 744.3231 NA PeJP NA NA +PJ025964 GAPEWW C37H44N8O9 744.3232 NA PeJP NA NA +PJ025965 NNNNNR C26H44N14O12 744.3263 NA PeJP NA NA +PJ025966 GGGGNNNR C26H44N14O12 744.3264 NA PeJP NA NA +PJ025967 SPPQMW C34H48N8O9S 744.3265 NA PeJP NA NA +PJ025968 ACCHRR C27H48N14O7S2 744.3272 NA PeJP NA NA +PJ025969 SSSSSKY C30H48N8O14 744.329 NA PeJP NA NA +PJ025970 TCCKKY C31H52N8O9S2 744.3299 NA PeJP NA NA +PJ025971 GNDHFR C31H44N12O10 744.3304 NA PeJP NA NA +PJ025972 VMFYW C39H48N6O7S 744.3305 NA PeJP NA NA +PJ025973 GPMFFF C39H48N6O7S 744.3306 NA PeJP NA NA +PJ025974 GTLEYY C35H48N6O12 744.333 NA PeJP NA NA +PJ025975 SSQMHR C28H48N12O10S 744.3337 NA PeJP NA NA +PJ025976 GGGGPNMR C28H48N12O10S 744.3338 NA PeJP NA NA +PJ025977 GLMMFF C36H52N6O7S2 744.3339 NA PeJP NA NA +PJ025978 QQHFW C36H44N10O8 744.3344 NA PeJP NA NA +MJ092840 6(17),11-Jatrophadiene-2,3,5,7,8,9,14,15-octol, 3-Benzoyl, 7-(2-methylpropanoyl), 2,5,9,14-tetra-Ac C39H52O14 744.335706 NA MeJP NA NA +PJ025979 SPPCRW C33H48N10O8S 744.3378 NA PeJP NA NA +PJ025980 APWWW C41H44N8O6 744.3384 NA PeJP NA NA +PJ025981 SSSSLQH C29H48N10O13 744.3402 NA PeJP NA NA +PJ025982 SPQEER C29H48N10O13 744.3403 NA PeJP NA NA +PJ025983 PPNMMR C30H52N10O8S2 744.3411 NA PeJP NA NA +PJ025984 GPKEEW C34H48N8O11 744.3443 NA PeJP NA NA +PJ025985 SSCHRR C27H48N14O9S 744.345 NA PeJP NA NA +PJ025986 APHHHF C35H44N12O7 744.3456 NA PeJP NA NA +PJ025987 APPTTQM C31H52N8O11S 744.3476 NA PeJP NA NA +PJ025988 GSPPKEM C31H52N8O11S 744.3477 NA PeJP NA NA +PJ025989 TLYYW C39H48N6O9 744.3483 NA PeJP NA NA +PJ025990 ALMHHH C32H48N12O7S 744.349 NA PeJP NA NA +PJ025991 SPDDRR C28H48N12O12 744.3515 NA PeJP NA NA +PJ025992 GVLMYY C36H52N6O9S 744.3517 NA PeJP NA NA +PJ025993 ACKMHR C29H52N12O7S2 744.3524 NA PeJP NA NA +PJ025994 GPTERW C33H48N10O10 744.3555 NA PeJP NA NA +PJ025995 PVNEMR C30H52N10O10S 744.3589 NA PeJP NA NA +PJ025996 PKEWW C38H48N8O8 744.3595 NA PeJP NA NA +MJ092841 Disorazole A1; O-De-Me C42H52N2O10 744.362195 NA MeJP NA NA +MJ092842 Isothalicrine C42H52N2O10 744.362195 NA MeJP NA NA +PJ025997 GNNERR C27H48N14O11 744.3627 NA PeJP NA NA +PJ025998 GGGGGERR C27H48N14O11 744.3628 NA PeJP NA NA +MJ092843 Phakellistatin 5 C35H52N8O8S 744.362881 NA MeJP NA NA +PJ025999 SPPKMW C35H52N8O8S 744.3629 NA PeJP NA NA +PJ026000 VFFFW C43H48N6O6 744.3636 NA PeJP NA NA +PJ026001 PDKKEE C31H52N8O13 744.3654 NA PeJP NA NA +PJ026002 TLLMMH C32H56N8O8S2 744.3663 NA PeJP NA NA +PJ026003 QQQRW C32H48N12O9 744.3667 NA PeJP NA NA +PJ026004 GAQQRW C32H48N12O9 744.3668 NA PeJP NA NA +PJ026005 SSLLYY C36H52N6O11 744.3694 NA PeJP NA NA +PJ026006 GPEMRR C29H52N12O9S 744.3701 NA PeJP NA NA +PJ026007 PTRWW C37H48N10O7 744.3708 NA PeJP NA NA +MJ092844 Maprouneacin C40H56O13 744.372091 NA MeJP NA NA +PJ026008 GPVMRW C34H52N10O7S 744.3742 NA PeJP NA NA +PJ026009 SPKEER C30H52N10O12 744.3766 NA PeJP NA NA +PJ026010 GAALEER C30H52N10O12 744.3767 NA PeJP NA NA +PJ026011 AKKMMH C31H56N10O7S2 744.3775 NA PeJP NA NA +PJ026012 NNRRW C31H48N14O8 744.378 NA PeJP NA NA +8280 Antioxidative peptide NPYVPR 744.3789 NA ;SYN:3-methyl-L-histidine; 3-methylhistidine; N(pi)-methyl-l-histidine; Tau-methylhistidine; l-3-methylhistidine; 3-N-Methyl-L-histidine; N3-Methyl-L-histidine; Tau-Methyl-L-histidine; pi-Methyl-L-histidine; N(pai)-Methyl-L-histidine; N(pros)-methyl-L-histidine; (2S)-2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid; (2S)-2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ026013 SPVKEW C35H52N8O10 744.3807 NA PeJP NA NA +PJ026014 PLQKEM C32H56N8O10S 744.384 NA PeJP NA NA +PJ026015 GAPLKEM C32H56N8O10S 744.3841 NA PeJP NA NA +PJ026016 GVLFFY C40H52N6O8 744.3847 NA PeJP NA NA +PJ026017 PMRRW C33H52N12O6S 744.3854 NA PeJP NA NA +PJ026018 GVEERR C29H52N12O11 744.3879 NA PeJP NA NA +MJ092845 Fusarinine B C33H56N6O13 744.390535 NA MeJP NA NA +PJ026019 LLLEEE C33H56N6O13 744.3906 NA PeJP NA NA +PJ026020 AALERW C34H52N10O9 744.3919 NA PeJP NA NA +PJ026021 PVDKMR C31H56N10O9S 744.3953 NA PeJP NA NA +MJ092846 Antibiotic L 156373, 1-(N-Hydroxy-L-valine) analogue C39H52N8O7 744.395896 NA MeJP NA NA +PJ026022 LLQWW C39H52N8O7 744.3959 NA PeJP NA NA +PJ026023 EERRR C28H52N14O10 744.3991 NA PeJP NA NA +PJ026024 APLKMW C36H56N8O7S 744.3993 NA PeJP NA NA +PJ026025 VLQKEE C32H56N8O12 744.4018 NA PeJP NA NA +PJ026026 VERRW C33H52N12O8 744.4031 NA PeJP NA NA +PJ026027 GGAAKRW C33H52N12O8 744.4032 NA PeJP NA NA +PJ026028 SPVMRR C30H56N12O8S 744.4065 NA PeJP NA NA +PJ026029 VVRWW C38H52N10O6 744.4072 NA PeJP NA NA +MJ092847 Gabonine C42H56N4O8 744.409814 NA MeJP NA NA +PJ026030 GSNRRR C27H52N16O9 744.4104 NA PeJP NA NA +PJ026031 ALKEER C31H56N10O11 744.413 NA PeJP NA NA +PJ026032 GGGALDKK C31H56N10O11 744.4131 NA PeJP NA NA +PJ026033 APKHHR C32H52N14O7 744.4144 NA PeJP NA NA +PJ026034 SVLLQW C36H56N8O9 744.417 NA PeJP NA NA +PJ026035 GLLKEW C36H56N8O9 744.4171 NA PeJP NA NA +PJ026036 PLKKEM C33H60N8O9S 744.4204 NA PeJP NA NA +PJ026037 ATLERR C30H56N12O10 744.4243 NA PeJP NA NA +PJ026038 GTLLRW C35H56N10O8 744.4283 NA PeJP NA NA +MJ092848 27-Norergost-22-ene-3,4,6,8,15,26-hexol, 26-O-[2-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] C38H64O14 744.429606 NA MeJP NA NA +MJ092849 3,14-Clerodadiene-6,13-diol, 13-O-[?-L-Fucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-L-rhamnopyranoside] C38H64O14 744.429606 NA MeJP NA NA +MJ092850 Ergost-22-ene-3,6,8,15,16,26-hexol, 3,26-Di-O-?-D-xylopyranoside C38H64O14 744.429606 NA MeJP NA NA +PJ026039 PTLKMR C32H60N10O8S 744.4317 NA PeJP NA NA +PJ026040 LLKWW C40H56N8O6 744.4323 NA PeJP NA NA +PJ026041 GTQKRR C29H56N14O9 744.4355 NA PeJP NA NA +PJ026042 VLKKEE C33H60N8O11 744.4382 NA PeJP NA NA +PJ026043 QKKRW C34H56N12O7 744.4395 NA PeJP NA NA +PJ026044 GLLMRR C31H60N12O7S 744.4429 NA PeJP NA NA +PJ026045 SLLKER C32H60N10O10 744.4494 NA PeJP NA NA +PJ026046 SVLLKW C37H60N8O8 744.4534 NA PeJP NA NA +PJ026047 GAPLLKF C37H60N8O8 744.4535 NA PeJP NA NA +PJ026048 LLLQKM C34H64N8O8S 744.4568 NA PeJP NA NA +C15942 (3S,2'S)-4-Ketomyxol 2'-alpha-L-fucoside C46H64O8 744.4601 NA KEGG NA NA +MJ092851 3',4'-Didehydro-1',2'-dihydro-1',2'-dihydroxy-?,?-caroten-4-one, 1'-O-?-D-Glucopyranoside C46H64O8 744.460119 NA MeJP NA NA +MJ092852 Adonixanthin; 3-O-?-D-Glucopyranoside C46H64O8 744.460119 NA MeJP NA NA +MJ092853 Fucoxanthinol; 19'-Butanoyloxy, 3'-Ac C46H64O8 744.460119 NA MeJP NA NA +PJ026049 SVQKKR C31H60N12O9 744.4606 NA PeJP NA NA +PJ026050 STLLRR C31H60N12O9 744.4607 NA PeJP NA NA +PJ026051 GVKKKW C36H60N10O7 744.4647 NA PeJP NA NA +MJ092854 Cholestane-3,4,6,15,24-pentol, 3-O-[2,4-Di-O-methyl-?-D-xylopyranoside], 24-O-?-L-arabinofuranoside C39H68O13 744.465992 NA MeJP NA NA +MJ092855 Cholestane-3,6,8,15,24-pentol, 24-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] C39H68O13 744.465992 NA MeJP NA NA +MJ092856 Cholestane-3,6,8,15,24-pentol, 24-O-[2,3-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] C39H68O13 744.465992 NA MeJP NA NA +MJ092857 Cholestane-3,6,8,15,24-pentol, 24-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] C39H68O13 744.465992 NA MeJP NA NA +MJ092858 Cholestane-3,6,8,15,24-pentol, 24-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?5)-?-L-arabinofuranoside] C39H68O13 744.465992 NA MeJP NA NA +MJ092859 Cholestane-3,6,8,15,24-pentol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-3-O-methyl-?-L-arabinofuranoside] C39H68O13 744.465992 NA MeJP NA NA +MJ092860 Cholestane-3,6,8,15,24-pentol, 24-O-[4-O-Methyl-?-D-xylopyranosyl-(1?2)-3-O-methyl-?-D-xylopyranoside] C39H68O13 744.465992 NA MeJP NA NA +PJ026052 VVLKMR C33H64N10O7S 744.468 NA PeJP NA NA +PJ026053 GTKKRR C30H60N14O8 744.4719 NA PeJP NA NA +PJ026054 GTTLLLK C34H64N8O10 744.4746 NA PeJP NA NA +MJ092861 Argiopinin II C35H60N12O6 744.475877 NA MeJP NA NA +PJ026055 KKKRW C35H60N12O6 744.4759 NA PeJP NA NA +PJ026056 VDKKKK C33H64N10O9 744.4858 NA PeJP NA NA +PJ026057 PLLKKF C38H64N8O7 744.4898 NA PeJP NA NA +PJ026058 LLLKKM C35H68N8O7S 744.4932 NA PeJP NA NA +HMDB10576 PG(16:0/18:3(6Z,9Z,12Z)) C40H73O10P 744.494141 NA HMDB2010 NA NA +HMDB10577 PG(16:0/18:3(9Z,12Z,15Z)) C40H73O10P 744.494141 NA HMDB2010 NA NA +HMDB10590 PG(16:1(9Z)/18:2(9Z,12Z)) C40H73O10P 744.494141 NA HMDB2010 NA NA +HMDB10646 PG(18:2(9Z,12Z)/16:1(9Z)) C40H73O10P 744.494141 NA HMDB2010 NA NA +HMDB10660 PG(18:3(6Z,9Z,12Z)/16:0) C40H73O10P 744.494141 NA HMDB2010 NA NA +HMDB10675 PG(18:3(9Z,12Z,15Z)/16:0) C40H73O10P 744.494141 NA HMDB2010 NA NA +PJ026059 SVKKKR C32H64N12O8 744.497 NA PeJP NA NA +PJ026060 TLKKKK C34H68N10O8 744.5222 NA PeJP NA NA +MJ092862 Variabilin, 18-(22-Methyl-5,9-tricosadienoyl) (Z,Z-) C49H76O5 744.569275 NA MeJP NA NA +MJ092863 Variabilin, 18-(5,9-Tetracosadienoyl) (Z,Z-) C49H76O5 744.569275 NA MeJP NA NA +C13876 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine C42H83NO7P 744.5907 NA KEGG NA NA +EUR1091 SM(d18:1/20:0) [M-H-CH3]- C43H87N2O6P 744.614526 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1091 SM(d18:1/20:0) [M-H-CH3]- C43H87N2O6P 744.614526 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1091 SM(d18:1/20:0) [M-H-CH3]- C43H87N2O6P 744.614526 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1091 SM(d18:1/20:0) [M-H-CH3]- C43H87N2O6P 744.614526 masses lipides attendues Inhousejuil11 NA NA +C13051 Nicotinic acid adenine dinucleotide phosphate C21H28N6O18P3 745.0673 NA KEGG NA NA +C13052 Transferred to D01593 C21H28N6O18P3 745.0673 NA KEGG NA NA +C13053 Transferred to D01594 C21H28N6O18P3 745.0673 NA KEGG NA NA +C13054 Transferred to D01595 C21H28N6O18P3 745.0673 NA KEGG NA NA +C13055 Transferred to D01596 C21H28N6O18P3 745.0673 NA KEGG NA NA +C13056 Transferred to D01597 C21H28N6O18P3 745.0673 NA KEGG NA NA +C00005 NADPH C21H30N7O17P3 745.0911 NA KEGG NA NA +MJ092864 NADPH C21H30N7O17P3 745.091102 NA MeJP NA NA +MetaCyc04092 NADPH [Nicotinamide adenine dinucleotide phosphate - reduced;NADPH+H+;NADPH2;NADPH2;dihydrotriphosphopyridine nucleotide;dihydrotriphosphopyridine nucleotide reduced;dihydronicotinamide adenine dinucleotide phosphate;dihydronicotinamide adenine dinucleotide phosphate reduced;NADP-reduced;NADP-red;NADPH+H+;TPNH;dihydronicotinamide adenine dinucleotide-P;NADP(H);] C21H30N7O17P3 745.091102 2646-71-1 metacyc NA NA +HMDB00221 NADPH C21H30N7O17P3 745.091125 NA HMDB2010 NA NA +HMDB00221 NADPH C21H30N7O17P3 745.09113 http://www.hmdb.ca/metabolites/HMDB00221 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00221 NADPH C21H30N7O17P3 745.09113 http://www.hmdb.ca/metabolites/HMDB00221 HMDB NA NA +HMDB00221 NADPH C21H30N7O17P3 745.09113 http://www.hmdb.ca/metabolites/HMDB00221 PFEM_hmdb_metabocards_blood NA blood +HMDB00221 NADPH C21H30N7O17P3 745.09113 HMDB00221 PFEM_hmdb_metabocards_official NA NA +PJ026061 PCCCCCD C24H39N7O10S5 745.1362 NA PeJP NA NA +PJ026062 GCCCDDM C24H39N7O12S4 745.154 NA PeJP NA NA +PJ026063 SCCCCNN C23H39N9O11S4 745.1652 NA PeJP NA NA +PJ026064 CCCCEW C28H39N7O9S4 745.1692 NA PeJP NA NA +PJ026065 SSCCCDE C24H39N7O14S3 745.1717 NA PeJP NA NA +PJ026066 SPCCCCM C25H43N7O9S5 745.1726 NA PeJP NA NA +PJ026067 GSCCDMM C25H43N7O11S4 745.1904 NA PeJP NA NA +PJ026068 CCNDEY C28H39N7O13S2 745.2048 NA PeJP NA NA +PJ026069 TCCCMW C29H43N7O8S4 745.2056 NA PeJP NA NA +PJ026070 SSSCCEM C25H43N7O13S3 745.2081 NA PeJP NA NA +PJ026071 CCQMMM C26H47N7O8S5 745.209 NA PeJP NA NA +PJ026072 GSCCCHH C26H39N11O9S3 745.2095 NA PeJP NA NA +PJ026073 GPCCDDH C27H39N9O12S2 745.216 NA PeJP NA NA +PJ026074 GCCDYW C32H39N7O10S2 745.22 NA PeJP NA NA +PJ026075 CCCMMR C25H47N9O7S5 745.2202 NA PeJP NA NA +PJ026076 GSSCDDY C28H39N7O15S 745.2225 NA PeJP NA NA +PJ026077 GPTCCCY C29H43N7O10S3 745.2234 NA PeJP NA NA +PJ026078 ASTCCMM C26H47N7O10S4 745.2267 NA PeJP NA NA +PJ026079 GSSCMMM C26H47N7O10S4 745.2268 NA PeJP NA NA +PJ026080 NDDDMH C27H39N9O14S 745.2338 NA PeJP NA NA +PJ026081 CCCDFR C28H43N9O9S3 745.2346 NA PeJP NA NA +PJ026082 GCCMFW C33H43N7O7S3 745.2386 NA PeJP NA NA +PJ026083 SCNEMY C29H43N7O12S2 745.2411 NA PeJP NA NA +PJ026084 SSSTCMM C26H47N7O12S3 745.2445 NA PeJP NA NA +PJ026085 GSCNNDH C26H39N11O13S 745.245 NA PeJP NA NA +PJ026086 CCKMMM C27H51N7O7S5 745.2454 NA PeJP NA NA +PJ026087 GCDEHW C31H39N9O11S 745.249 NA PeJP NA NA +PJ026088 GSSDDEH C27H39N9O16 745.2515 NA PeJP NA NA +PJ026089 SCCDRY C28H43N9O11S2 745.2524 NA PeJP NA NA +PJ026090 GNDDYY C32H39N7O14 745.2555 NA PeJP NA NA +PJ026091 GSCMYW C33H43N7O9S2 745.2564 NA PeJP NA NA +MJ092865 Perdeacylevonine; 4-Deoxy, 1,6,9,14-tetra-Ac C36H43NO16 745.258184 NA MeJP NA NA +PJ026092 GSSSDMY C29H43N7O14S 745.2589 NA PeJP NA NA +PJ026093 GNMMMY C30H47N7O9S3 745.2598 NA PeJP NA NA +PJ026094 CNNQMH C27H43N11O10S2 745.2636 NA PeJP NA NA +PJ026095 CDHWW C35H39N9O8S 745.2643 NA PeJP NA NA +PJ026096 SSDDHW C31H39N9O13 745.2668 NA PeJP NA NA +MJ092866 Ecteinascidin 743; 21-Deoxy C39H43N3O10S 745.266915 NA MeJP NA NA +PJ026097 PTCCHW C32H43N9O8S2 745.2676 NA PeJP NA NA +PJ026098 SNEEMH C28H43N9O13S 745.2701 NA PeJP NA NA +PJ026099 GGGGSPPCD C28H43N9O13S 745.2702 NA PeJP NA NA +PJ026100 ACCMRY C29H47N9O8S3 745.271 NA PeJP NA NA +PJ026101 SSTCYW C33H43N7O11S 745.2741 NA PeJP NA NA +PJ026102 PPCDEW C33H43N7O11S 745.2742 NA PeJP NA NA +PJ026103 CCNNHR C26H43N13O9S2 745.2748 NA PeJP NA NA +PJ026104 GGCCNHR C26H43N13O9S2 745.2749 NA PeJP NA NA +PJ026105 SSSSSEY C29H43N7O16 745.2766 NA PeJP NA NA +PJ026106 PNEEEE C29H43N7O16 745.2767 NA PeJP NA NA +MJ092867 Ansathiazin C37H47NO13S 745.276811 NA MeJP NA NA +PJ026107 SSQMMY C30H47N7O11S2 745.2775 NA PeJP NA NA +PJ026108 SCDEHR C27H43N11O12S 745.2814 NA PeJP NA NA +PJ026109 PCCMHR C28H47N11O7S3 745.2822 NA PeJP NA NA +PJ026110 GSEMHW C32H43N9O10S 745.2854 NA PeJP NA NA +PJ026111 PDDDER C28H43N9O15 745.2879 NA PeJP NA NA +PJ026112 SSCMRY C29H47N9O10S2 745.2887 NA PeJP NA NA +PJ026113 TTCCRY C29H47N9O10S2 745.2888 NA PeJP NA NA +PJ026114 SNDHHH C29H39N13O11 745.2892 NA PeJP NA NA +PJ026115 CQFYW C37H43N7O8S 745.2894 NA PeJP NA NA +PJ026116 GPEEEW C33H43N7O13 745.2919 NA PeJP NA NA +PJ026117 GNMMFF C34H47N7O8S2 745.2928 NA PeJP NA NA +PJ026118 GSSTTMY C30H47N7O13S 745.2953 NA PeJP NA NA +PJ026119 ACKMMY C31H51N7O8S3 745.2962 NA PeJP NA NA +PJ026120 SSSSNQH C27H43N11O14 745.2991 NA PeJP NA NA +PJ026121 GGGGGGAANE C27H43N11O14 745.2992 NA PeJP NA NA +PJ026122 GDMMHR C28H47N11O9S2 745.3 NA PeJP NA NA +PJ026123 SMHWW C36H43N9O7S 745.3006 NA PeJP NA NA +PJ026124 GPCHFW C36H43N9O7S 745.3007 NA PeJP NA NA +PJ026125 SSTEHW C32H43N9O12 745.3031 NA PeJP NA NA +PJ026126 GGSPNEW C32H43N9O12 745.3032 NA PeJP NA NA +PJ026127 AAMMHW C33H47N9O7S2 745.304 NA PeJP NA NA +PJ026128 SDKEMH C29H47N9O12S 745.3065 NA PeJP NA NA +PJ026129 PEEWW C37H43N7O10 745.3072 NA PeJP NA NA +PJ026130 PCKMMH C30H51N9O7S3 745.3074 NA PeJP NA NA +PJ026131 GQMHHH C30H43N13O8S 745.3079 NA PeJP NA NA +PJ026132 NNNNDR C26H43N13O13 745.3104 NA PeJP NA NA +PJ026133 SPPEMW C34H47N7O10S 745.3105 NA PeJP NA NA +PJ026134 SSSTTTY C30H47N7O15 745.313 NA PeJP NA NA +PJ026135 PDKEEE C30H47N7O15 745.3131 NA PeJP NA NA +PJ026136 SSKMMY C31H51N7O10S2 745.3139 NA PeJP NA NA +PJ026137 GNNQQW C31H43N11O11 745.3144 NA PeJP NA NA +PJ026138 SSEMHR C28H47N11O11S 745.3177 NA PeJP NA NA +PJ026139 TTCEHR C28H47N11O11S 745.3178 NA PeJP NA NA +PJ026140 GSPNWW C36H43N9O9 745.3184 NA PeJP NA NA +PJ026141 GCHHHR C29H43N15O7S 745.3191 NA PeJP NA NA +PJ026142 ATTMHW C33H47N9O9S 745.3218 NA PeJP NA NA +PJ026143 SPEEER C29H47N9O14 745.3243 NA PeJP NA NA +PJ026144 SLQMMH C30H51N9O9S2 745.3251 NA PeJP NA NA +PJ026145 PPDMMR C30H51N9O9S2 745.3252 NA PeJP NA NA +PJ026146 STQHHH C30H43N13O10 745.3256 NA PeJP NA NA +PJ026147 CKFYW C38H47N7O7S 745.3258 NA PeJP NA NA +PJ026148 SPVEEW C34H47N7O12 745.3283 NA PeJP NA NA +PJ026149 PPCLMW C35H51N7O7S2 745.3292 NA PeJP NA NA +PJ026150 PLQEEM C31H51N7O12S 745.3317 NA PeJP NA NA +PJ026151 GPCQRW C32H47N11O8S 745.333 NA PeJP NA NA +PJ026152 AHFWW C40H43N9O6 745.3337 NA PeJP NA NA +MJ092868 Maytansine; N-De-Ac, N2'-(3-methyl-2-pentenoyl)(E-) C38H52ClN3O10 745.334122 NA MeJP NA NA +MJ092869 Maytansine; N-De-Ac, N2'-(3-methyl-2-pentenoyl)(Z-) C38H52ClN3O10 745.334122 NA MeJP NA NA +PJ026153 GQQEER C28H47N11O13 745.3355 NA PeJP NA NA +PJ026154 ATMMHR C29H51N11O8S2 745.3364 NA PeJP NA NA +PJ026155 TTTTHW C33H47N9O11 745.3395 NA PeJP NA NA +PJ026156 GGGGALEW C33H47N9O11 745.3396 NA PeJP NA NA +PJ026157 PVDEMR C30H51N9O11S 745.3429 NA PeJP NA NA +PJ026158 SKYYW C38H47N7O9 745.3435 NA PeJP NA NA +PJ026159 APPEFW C38H47N7O9 745.3436 NA PeJP NA NA +PJ026160 PPCHHR C31H47N13O7S 745.3443 NA PeJP NA NA +PJ026161 ANDDRR C27H47N13O12 745.3467 NA PeJP NA NA +PJ026162 GNDERR C27H47N13O12 745.3468 NA PeJP NA NA +PJ026163 APLEMW C35H51N7O9S 745.3469 NA PeJP NA NA +PJ026164 VLQEEE C31H51N7O14 745.3494 NA PeJP NA NA +PJ026165 GPPTLMM C32H55N7O9S2 745.3503 NA PeJP NA NA +PJ026166 QQERW C32H47N11O10 745.3508 NA PeJP NA NA +MJ092870 Carboxymycobactins; Carboxymycobactin 1 C36H51N5O12 745.353422 NA MeJP NA NA +PJ026167 TTTMHR C29H51N11O10S 745.3541 NA PeJP NA NA +PJ026168 GGGAPTMR C29H51N11O10S 745.3542 NA PeJP NA NA +MJ092871 Cyclotheonamide B C37H47N9O8 745.354759 NA MeJP NA NA +PJ026169 VQQWW C37H47N9O8 745.3548 NA PeJP NA NA +PJ026170 GPQKMW C34H51N9O8S 745.3582 NA PeJP NA NA +PJ026171 SSSPLQQ C30H51N9O13 745.3606 NA PeJP NA NA +PJ026172 ALEEER C30H51N9O13 745.3607 NA PeJP NA NA +PJ026173 SLKMMH C31H55N9O8S2 745.3615 NA PeJP NA NA +PJ026174 NDRRW C31H47N13O9 745.362 NA PeJP NA NA +PJ026175 GLLEEW C35H51N7O11 745.3647 NA PeJP NA NA +PJ026176 SPCQRR C28H51N13O9S 745.3654 NA PeJP NA NA +PJ026177 AQRWW C36H47N11O7 745.366 NA PeJP NA NA +PJ026178 SPPTTLM C32H55N7O11S 745.368 NA PeJP NA NA +PJ026179 PLKEEM C32H55N7O11S 745.3681 NA PeJP NA NA +PJ026180 GPCKRW C33H51N11O7S 745.3694 NA PeJP NA NA +PJ026181 GQKEER C29H51N11O12 745.3719 NA PeJP NA NA +PJ026182 CCKKKH C30H55N11O7S2 745.3728 NA PeJP NA NA +PJ026183 GVQKEW C34H51N9O10 745.3759 NA PeJP NA NA +PJ026184 PTLEMR C31H55N9O10S 745.3793 NA PeJP NA NA +PJ026185 LLEWW C39H51N7O8 745.3799 NA PeJP NA NA +PJ026186 MHFRR C32H51N13O6S 745.3806 NA PeJP NA NA +PJ026187 GTQERR C28H51N13O11 745.3831 NA PeJP NA NA +PJ026188 GGGGGGTKR C28H51N13O11 745.3832 NA PeJP NA NA +PJ026189 SPLLMW C36H55N7O8S 745.3833 NA PeJP NA NA +PJ026190 VLKEEE C32H55N7O13 745.3858 NA PeJP NA NA +PJ026191 AAPLLMM C33H59N7O8S2 745.3867 NA PeJP NA NA +PJ026192 QKERW C33H51N11O9 745.3871 NA PeJP NA NA +PJ026193 GAKERW C33H51N11O9 745.3872 NA PeJP NA NA +MJ092872 Amamistatin A C37H55N5O11 745.389807 NA MeJP NA NA +PJ026194 SPQKMR C30H55N11O9S 745.3905 NA PeJP NA NA +PJ026195 VQKWW C38H51N9O7 745.3912 NA PeJP NA NA +PJ026196 GSDRRR C27H51N15O10 745.3944 NA PeJP NA NA +PJ026197 GPKKMW C35H55N9O7S 745.3946 NA PeJP NA NA +PJ026198 SLLEER C31H55N9O12 745.397 NA PeJP NA NA +PJ026199 VTLEER C31H55N9O12 745.3971 NA PeJP NA NA +PJ026200 PVLMMR C32H59N9O7S2 745.3979 NA PeJP NA NA +PJ026201 TQRRW C32H51N13O8 745.3984 NA PeJP NA NA +PJ026202 SVLLEW C36H55N7O10 745.4011 NA PeJP NA NA +PJ026203 GVQMRR C29H55N13O8S 745.4018 NA PeJP NA NA +PJ026204 AKRWW C37H51N11O6 745.4024 NA PeJP NA NA +PJ026205 LLLQEM C33H59N7O10S 745.4044 NA PeJP NA NA +PJ026206 GALLLEM C33H59N7O10S 745.4045 NA PeJP NA NA +PJ026207 GKKEER C30H55N11O11 745.4083 NA PeJP NA NA +PJ026208 GVKKEW C35H55N9O9 745.4123 NA PeJP NA NA +PJ026209 QMRRR C28H55N15O7S 745.413 NA PeJP NA NA +PJ026210 VVLEMR C32H59N9O9S 745.4157 NA PeJP NA NA +PJ026211 APLLFW C40H55N7O7 745.4163 NA PeJP NA NA +PJ026212 GTKERR C29H55N13O10 745.4195 NA PeJP NA NA +PJ026213 ALLLMW C37H59N7O7S 745.4197 NA PeJP NA NA +MJ092873 Fozivudine tidoxil C35H64N5O8PS 745.421321 NA MeJP NA NA +PJ026214 GTTLLLE C33H59N7O12 745.4222 NA PeJP NA NA +PJ026215 KKERW C34H55N11O8 745.4235 NA PeJP NA NA +PJ026216 GAAPKFR C34H55N11O8 745.4236 NA PeJP NA NA +PJ026217 CRRRR C27H55N17O6S 745.4242 NA PeJP NA NA +MJ092874 Tylosin B; 20-Alcohol, 2C,3C-di-O-de-Me C37H63NO14 745.424855 NA MeJP NA NA +PJ026218 SPKKMR C31H59N11O8S 745.4269 NA PeJP NA NA +PJ026219 VKKWW C39H55N9O6 745.4276 NA PeJP NA NA +PJ026220 GTTRRR C28H55N15O9 745.4308 NA PeJP NA NA +PJ026221 VDKKKE C32H59N9O11 745.4334 NA PeJP NA NA +PJ026222 TKRRW C33H55N13O7 745.4348 NA PeJP NA NA +PJ026223 TTLLLW C37H59N7O9 745.4375 NA PeJP NA NA +PJ026224 ACLKRR C30H59N13O7S 745.4381 NA PeJP NA NA +PJ026225 GVKMRR C30H59N13O7S 745.4382 NA PeJP NA NA +PJ026226 LLLKEM C34H63N7O9S 745.4408 NA PeJP NA NA +PJ026227 SVKKER C31H59N11O10 745.4447 NA PeJP NA NA +PJ026228 ATLKKW C36H59N9O8 745.4487 NA PeJP NA NA +PJ026229 KMRRR C29H59N15O6S 745.4494 NA PeJP NA NA +PJ026230 TLLLMR C33H63N9O8S 745.4521 NA PeJP NA NA +PJ026231 SSLKRR C30H59N13O9 745.4559 NA PeJP NA NA +PJ026232 SSTLLLL C34H63N7O11 745.4586 NA PeJP NA NA +PJ026233 APKKFR C35H59N11O7 745.4599 NA PeJP NA NA +3321 NA KIPYIL 745.461 celiac toxic Inhouse_peptide NA peptide +MJ092875 Erythromycin D; 3''-O-Ac C38H67NO13 745.461241 NA MeJP NA NA +PJ026234 ALKKMR C32H63N11O7S 745.4633 NA PeJP NA NA +PJ026235 TLKKKE C33H63N9O10 745.4698 NA PeJP NA NA +PJ026236 PLLLKY C38H63N7O8 745.4738 NA PeJP NA NA +MJ092876 Neuromedin N C38H63N7O8 745.473812 NA MeJP NA NA +PJ026237 GALLLLF C38H63N7O8 745.4739 NA PeJP NA NA +MJ092877 Iron(III) diphosphate (Fe4(P2O7)3) Fe4O21P6 745.475544 NA MeJP NA NA +MJ092878 Spinosyn; Spinosyn D C42H67NO10 745.476497 NA MeJP NA NA +C11056 Spinosyn D C42H67NO10 745.4765 NA KEGG NA NA +PJ026238 TTLKKR C32H63N11O9 745.4811 NA PeJP NA NA +PJ026239 VVLLFR C37H63N9O7 745.4851 NA PeJP NA NA +PJ026240 VLKKKM C34H67N9O7S 745.4885 NA PeJP NA NA +PJ026241 LLLLKF C39H67N7O7 745.5102 NA PeJP NA NA +PJ026242 SKKKKK C33H67N11O8 745.5174 NA PeJP NA NA +EUR545 16 :0-18 :1 PC F2 F2 745.560025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR545 16 :0-18 :1 PC F2 NA 745.560025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR545 16 :0-18 :1 PC F2 F2 745.560025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR545 16 :0-18 :1 PC F2 NA 745.560025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR545 16 :0-18 :1 PC F2 F2 745.560025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR545 16 :0-18 :1 PC F2 NA 745.560025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR545 16 :0-18 :1 PC F2 F2 745.560025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR545 16 :0-18 :1 PC F2 F2 745.560025 standards wishlist analysés sur QTOF HMDB NA NA +EUR545 16 :0-18 :1 PC F2 F2 745.560025 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR545 16 :0-18 :1 PC F2 NA 745.560025 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR545 16 :0-18 :1 PC F2 F2 745.560025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR545 16 :0-18 :1 PC F2 F2 745.560025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB05321 GPEtn(16:0/20:1(11Z)) C41H80NO8P 745.56213 http://www.hmdb.ca/metabolites/HMDB05321 HMDB NA NA +HMDB05330 GPEtn(18:0/18:1(9Z))[U] C41H80NO8P 745.56213 http://www.hmdb.ca/metabolites/HMDB05330 HMDB NA NA +HMDB05345 GPEtn(18:1(9Z)/18:0)[U] C41H80NO8P 745.56213 http://www.hmdb.ca/metabolites/HMDB05345 HMDB NA NA +HMDB05321 GPEtn(16:0/20:1(11Z)) C41H80NO8P 745.56213 HMDB05321 PFEM_hmdb_metabocards_official NA NA +HMDB05330 GPEtn(18:0/18:1(9Z))[U] C41H80NO8P 745.56213 HMDB05330 PFEM_hmdb_metabocards_official NA NA +HMDB05345 GPEtn(18:1(9Z)/18:0)[U] C41H80NO8P 745.56213 HMDB05345 PFEM_hmdb_metabocards_official NA NA +HMDB07938 PC(15:0/18:1(11Z)) C41H80NO8P 745.562134 NA HMDB2010 NA NA +HMDB07939 PC(15:0/18:1(9Z)) C41H80NO8P 745.562134 NA HMDB2010 NA NA +HMDB08066 PC(18:1(11Z)/15:0) C41H80NO8P 745.562134 NA HMDB2010 NA NA +HMDB08099 PC(18:1(9Z)/15:0) C41H80NO8P 745.562134 NA HMDB2010 NA NA +HMDB08842 PE(14:0/22:1(13Z)) C41H80NO8P 745.562134 NA HMDB2010 NA NA +HMDB08874 PE(14:1(9Z)/22:0) C41H80NO8P 745.562134 NA HMDB2010 NA NA +HMDB08933 PE(16:0/20:1(11Z)) C41H80NO8P 745.562134 NA HMDB2010 NA NA +HMDB08965 PE(16:1(9Z)/20:0) C41H80NO8P 745.562134 NA HMDB2010 NA NA +HMDB08992 PE(18:0/18:1(11Z)) C41H80NO8P 745.562134 NA HMDB2010 NA NA +HMDB08993 PE(18:0/18:1(9Z)) C41H80NO8P 745.562134 NA HMDB2010 NA NA +HMDB09024 PE(18:1(11Z)/18:0) C41H80NO8P 745.562134 NA HMDB2010 NA NA +HMDB09057 PE(18:1(9Z)/18:0) C41H80NO8P 745.562134 NA HMDB2010 NA NA +HMDB09221 PE(20:0/16:1(9Z)) C41H80NO8P 745.562134 NA HMDB2010 NA NA +HMDB09253 PE(20:1(11Z)/16:0) C41H80NO8P 745.562134 NA HMDB2010 NA NA +HMDB09482 PE(22:0/14:1(9Z)) C41H80NO8P 745.562134 NA HMDB2010 NA NA +HMDB09514 PE(22:1(13Z)/14:0) C41H80NO8P 745.562134 NA HMDB2010 NA NA +HMDB10568 PE-NMe2(16:0/18:1(9Z)) C41H80NO8P 745.562134 NA HMDB2010 NA NA +EUR941 PC 34:1 [M-H-CH3]- C42H82NO8P 745.562157 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1031 16:0-18:1 PC [M-H-CH3]- C42H82NO8P 745.562157 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR941 PC 34:1 [M-H-CH3]- C42H82NO8P 745.562157 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1031 16:0-18:1 PC [M-H-CH3]- C42H82NO8P 745.562157 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR941 PC 34:1 [M-H-CH3]- C42H82NO8P 745.562157 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1031 16:0-18:1 PC [M-H-CH3]- C42H82NO8P 745.562157 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR941 PC 34:1 [M-H-CH3]- C42H82NO8P 745.562157 masses lipides attendues Inhousejuil11 NA NA +EUR1031 16:0-18:1 PC [M-H-CH3]- C42H82NO8P 745.562157 masses lipides attendues Inhousejuil11 NA NA +HMDB07995 PC(16:0/P-18:0) C42H84NO7P 745.598511 NA HMDB2010 NA NA +HMDB08060 PC(18:0/P-16:0) C42H84NO7P 745.598511 NA HMDB2010 NA NA +HMDB11208 PC(P-16:0/18:0) C42H84NO7P 745.598511 NA HMDB2010 NA NA +HMDB11239 PC(P-18:0/16:0) C42H84NO7P 745.598511 NA HMDB2010 NA NA +HMDB13412 PC(o-16:1(9Z)/18:0) C42H84NO7P 745.598511 NA HMDB2010 NA NA +HMDB13424 PC(o-18:1(11Z)/16:0) C42H84NO7P 745.598511 NA HMDB2010 NA NA +HMDB13426 PC(o-18:1(9Z)/16:0) C42H84NO7P 745.598511 NA HMDB2010 NA NA +2789 NA DAENLIDSFQEIV 745.84785 MH2+ Inhouse_peptide NA peptide +MJ092879 Mertiatide; Oxo-Tc complex (1:1), dimer C16H18N6O12S2Tc2 745.856842 NA MeJP NA NA +MJ092880 Konbuacidin A C22H22Br3ClN10O3 745.9115 NA MeJP NA NA +3867 vespa-like peptide from R, Erythraea FLPILGKIAGFLFG 745.935 MH2+ Inhouse_peptide NA peptide +MJ092881 Bisisodiospyrin C44H26O12 746.142426 NA MeJP NA NA +MJ092882 3,3',4',5',7-Pentahydroxyflavan(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'-O-(3,4,5-Trihydroxybenzoyl) C37H30O17 746.148299 NA MeJP NA NA +MJ092883 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'''-Deoxy, 3-O-(3,4,5-trihydroxybenzoyl) C37H30O17 746.148299 NA MeJP NA NA +MJ092884 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3''-Deoxy, 3'-O-(3,4,5-trihydroxybenzoyl) C37H30O17 746.148299 NA MeJP NA NA +MJ092885 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'''-Deoxy, 3'-(3,4,5-trihydroxybenzoyl) C37H30O17 746.148299 NA MeJP NA NA +MJ092886 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3''-Deoxy, 3'-O-(3,4,5-trihydroxybenzoyl) C37H30O17 746.148299 NA MeJP NA NA +C10223 Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester C37H30O17 746.1483 NA KEGG NA NA +PJ026243 SCCCCND C23H38N8O12S4 746.1492 NA PeJP NA NA +PJ026244 GCCCCQM C24H42N8O9S5 746.1679 NA PeJP NA NA +PJ026245 GCCCCCR C23H42N10O8S5 746.1791 NA PeJP NA NA +MJ092887 Helisorin C38H34O16 746.184685 NA MeJP NA NA +MJ092888 Julichrome Q1.9 C38H34O16 746.184685 NA MeJP NA NA +PJ026246 SSCCCNM C24H42N8O11S4 746.1856 NA PeJP NA NA +PJ026247 CCDDEY C28H38N6O14S2 746.1888 NA PeJP NA NA +PJ026248 CCEMMM C26H46N6O9S5 746.193 NA PeJP NA NA +PJ026249 GSSSTCCC C24H42N8O13S3 746.2034 NA PeJP NA NA +PJ026250 GCCCCKM C25H46N8O8S5 746.2043 NA PeJP NA NA +PJ026251 CCDEMF C29H42N6O11S3 746.2074 NA PeJP NA NA +PJ026252 DDDDMH C27H38N8O15S 746.2178 NA PeJP NA NA +PJ026253 CCNNMY C28H42N8O10S3 746.2186 NA PeJP NA NA +PJ026254 SSSSSSCC C24H42N8O15S2 746.2211 NA PeJP NA NA +PJ026255 STCCCCK C25H46N8O10S4 746.222 NA PeJP NA NA +PJ026256 SCDEMY C29H42N6O13S2 746.2252 NA PeJP NA NA +PJ026257 PCCMMY C30H46N6O8S4 746.226 NA PeJP NA NA +MJ092889 Henryoside; 6'-O-?-D-Glucopyranoside C32H42O20 746.226943 NA MeJP NA NA +PJ026258 GSCNDDH C26H38N10O14S 746.229 NA PeJP NA NA +PJ026259 TCMMMM C27H50N6O8S5 746.2294 NA PeJP NA NA +PJ026260 GPCCCQH C27H42N10O9S3 746.2299 NA PeJP NA NA +PJ026261 GPNDDDD C27H38N8O17 746.2355 NA PeJP NA NA +PJ026262 GSSCCQY C28H42N8O12S2 746.2364 NA PeJP NA NA +PJ026263 GDDDYY C32H38N6O15 746.2395 NA PeJP NA NA +PJ026264 PCCDFY C33H42N6O10S2 746.2404 NA PeJP NA NA +PJ026265 GDMMMY C30H46N6O10S3 746.2438 NA PeJP NA NA +PJ026266 CNNEMH C27H42N10O11S2 746.2476 NA PeJP NA NA +PJ026267 CCNNFF C32H42N8O9S2 746.2516 NA PeJP NA NA +PJ026268 GGGGCCFF C32H42N8O9S2 746.2517 NA PeJP NA NA +PJ026269 SSSSCNY C28H42N8O14S 746.2541 NA PeJP NA NA +PJ026270 SDEEMH C28H42N8O14S 746.2542 NA PeJP NA NA +PJ026271 CCCQKY C29H46N8O9S3 746.255 NA PeJP NA NA +MJ092890 Herpetetradione C40H42O14 746.257456 NA MeJP NA NA +PJ026272 SPCDYY C33H42N6O12S 746.2582 NA PeJP NA NA +PJ026273 CCNDHR C26H42N12O10S2 746.2589 NA PeJP NA NA +PJ026274 PCCMFF C34H46N6O7S3 746.259 NA PeJP NA NA +PJ026275 PDEEEE C29H42N6O17 746.2607 NA PeJP NA NA +PJ026276 SSEMMY C30H46N6O12S2 746.2615 NA PeJP NA NA +PJ026277 GMMMMF C31H50N6O7S4 746.2624 NA PeJP NA NA +PJ026278 GCNMHW C31H42N10O8S2 746.2629 NA PeJP NA NA +MJ092891 Cantleyoside C33H46O19 746.263329 NA MeJP NA NA +PJ026279 GSSNDMH C27H42N10O13S 746.2654 NA PeJP NA NA +PJ026280 GPCCCKH C28H46N10O8S3 746.2663 NA PeJP NA NA +PJ026281 GCNQYY C32H42N8O11S 746.2694 NA PeJP NA NA +PJ026282 GSPNDEE C28H42N8O16 746.2719 NA PeJP NA NA +PJ026283 GSSCCKY C29H46N8O11S2 746.2728 NA PeJP NA NA +PJ026284 SDDHHH C29H38N12O12 746.2733 NA PeJP NA NA +PJ026285 CEFYW C37H42N6O9S 746.2734 NA PeJP NA NA +PJ026286 GSEEYY C33H42N6O14 746.2759 NA PeJP NA NA +PJ026287 APCMYY C34H46N6O9S2 746.2768 NA PeJP NA NA +MJ092892 Buddlenol B; 9'-O-?-D-Glucopyranoside C37H46O16 746.278585 NA MeJP NA NA +MJ092893 Hedyotol C; 4''-O-?-D-Glucopyranoside C37H46O16 746.278585 NA MeJP NA NA +MJ092894 Hedyotol C; 7''-Epimer, 4''-O-?-D-glucopyranoside C37H46O16 746.278585 NA MeJP NA NA +PJ026288 ATMMMY C31H50N6O9S3 746.2802 NA PeJP NA NA +PJ026289 SSCQHW C31H42N10O10S 746.2806 NA PeJP NA NA +PJ026290 GGGGPCNW C31H42N10O10S 746.2807 NA PeJP NA NA +PJ026291 SSSSNEH C27H42N10O15 746.2831 NA PeJP NA NA +PJ026292 GGGGNQEE C27H42N10O15 746.2832 NA PeJP NA NA +PJ026293 GPPCCDR C28H46N10O10S2 746.284 NA PeJP NA NA +PJ026294 SSNNYY C32H42N8O13 746.2871 NA PeJP NA NA +PJ026295 SPNDEW C32H42N8O13 746.2872 NA PeJP NA NA +PJ026296 PPCNMW C33H46N8O8S2 746.288 NA PeJP NA NA +PJ026297 TTEEMH C29H46N8O13S 746.2905 NA PeJP NA NA +PJ026298 GGGAPEEM C29H46N8O13S 746.2906 NA PeJP NA NA +PJ026299 SEYYW C37H42N6O11 746.2912 NA PeJP NA NA +PJ026300 CCCKKY C30H50N8O8S3 746.2914 NA PeJP NA NA +PJ026301 GEMHHH C30H42N12O9S 746.2919 NA PeJP NA NA +MJ092895 13,17-Epoxy-3,5,8,14,15-pentahydroxy-7-oxomyrsinolide, 5,8-Dibenzoyl, 14-propanoyl, 3-Ac C41H46O13 746.293841 NA MeJP NA NA +PJ026302 NNNDDR C26H42N12O14 746.2944 NA PeJP NA NA +PJ026303 SSPMYY C34H46N6O11S 746.2945 NA PeJP NA NA +PJ026304 AAEMYY C34H46N6O11S 746.2946 NA PeJP NA NA +PJ026305 SCNMHR C27H46N12O9S2 746.2952 NA PeJP NA NA +PJ026306 GGSCMHR C27H46N12O9S2 746.2953 NA PeJP NA NA +PJ026307 GCHHFF C35H42N10O7S 746.2959 NA PeJP NA NA +PJ026308 TTTMMY C31H50N6O11S2 746.2979 NA PeJP NA NA +PJ026309 GSSSSHW C31H42N10O12 746.2984 NA PeJP NA NA +PJ026310 ACCKHW C32H46N10O7S2 746.2993 NA PeJP NA NA +PJ026311 PNDDMR C28H46N10O12S 746.3018 NA PeJP NA NA +PJ026312 GSPDWW C36H42N8O10 746.3024 NA PeJP NA NA +MJ092896 17-Hydroxydihydromyrsinol; 3,14-Bis(3-pyridinecarbonyl), 7-(2-methylpropanoyl), 5,15-di-Ac C40H46N2O12 746.305074 NA MeJP NA NA +PJ026313 GPQEMW C33H46N8O10S 746.3058 NA PeJP NA NA +PJ026314 MHHHW C34H42N12O6S 746.3071 NA PeJP NA NA +PJ026315 VNQEEE C29H46N8O15 746.3083 NA PeJP NA NA +PJ026316 SLEMMH C30H50N8O10S2 746.3092 NA PeJP NA NA +PJ026317 STEHHH C30H42N12O11 746.3096 NA PeJP NA NA +PJ026318 GGGGPEHH C30H42N12O11 746.3097 NA PeJP NA NA +PJ026319 CLYYW C38H46N6O8S 746.3098 NA PeJP NA NA +PJ026320 ATTEYY C34H46N6O13 746.3123 NA PeJP NA NA +PJ026321 GSSTCHR C27H46N12O11S 746.313 NA PeJP NA NA +PJ026322 GVMMFY C35H50N6O8S2 746.3132 NA PeJP NA NA +PJ026323 NNQWW C35H42N10O9 746.3136 NA PeJP NA NA +PJ026324 GGNQWW C35H42N10O9 746.3137 NA PeJP NA NA +MJ092897 14,15?-Epoxyprieurianin C38H50O15 746.31497 NA MeJP NA NA +PJ026325 PLEEEM C31H50N6O13S 746.3157 NA PeJP NA NA +PJ026326 GPCERW C32H46N10O9S 746.317 NA PeJP NA NA +PJ026327 GQEEER C28H46N10O14 746.3195 NA PeJP NA NA +PJ026328 GGGGGADKE C28H46N10O14 746.3196 NA PeJP NA NA +PJ026329 GSPPCMR C29H50N10O9S2 746.3204 NA PeJP NA NA +PJ026330 PQMWW C37H46N8O7S 746.321 NA PeJP NA NA +PJ026331 GAPMWW C37H46N8O7S 746.3211 NA PeJP NA NA +PJ026332 SPTQEW C33H46N8O12 746.3235 NA PeJP NA NA +PJ026333 GVQEEW C33H46N8O12 746.3236 NA PeJP NA NA +PJ026334 MMFRY C34H50N8O7S2 746.3244 NA PeJP NA NA +PJ026335 GPNHHW C34H42N12O8 746.3249 NA PeJP NA NA +PJ026336 PNKEEM C30H50N8O12S 746.3269 NA PeJP NA NA +PJ026337 AAPYYY C38H46N6O10 746.3276 NA PeJP NA NA +PJ026338 VVMMMH C31H54N8O7S3 746.3278 NA PeJP NA NA +PJ026339 GCQHFR C31H46N12O8S 746.3283 NA PeJP NA NA +PJ026340 SSSSSHR C27H46N12O13 746.3307 NA PeJP NA NA +PJ026341 GDDERR C27H46N12O13 746.3308 NA PeJP NA NA +PJ026342 GTLMYY C35H50N6O10S 746.3309 NA PeJP NA NA +PJ026343 TCCKHR C28H50N12O8S2 746.3316 NA PeJP NA NA +PJ026344 PCRWW C36H46N10O6S 746.3323 NA PeJP NA NA +PJ026345 VLEEEE C31H50N6O15 746.3335 NA PeJP NA NA +PJ026346 QEERW C32H46N10O11 746.3348 NA PeJP NA NA +PJ026347 SPQEMR C29H50N10O11S 746.3381 NA PeJP NA NA +PJ026348 PTNEMR C29H50N10O11S 746.3382 NA PeJP NA NA +PJ026349 VQEWW C37H46N8O9 746.3388 NA PeJP NA NA +MJ092898 Hedamycin C41H50N2O11 746.34146 NA MeJP NA NA +C15759 Hedamycin C41H50N2O11 746.3415 NA KEGG NA NA +PJ026350 GPKEMW C34H50N8O9S 746.3422 NA PeJP NA NA +PJ026351 TFFFW C42H46N6O7 746.3428 NA PeJP NA NA +PJ026352 VNKEEE C30H50N8O14 746.3447 NA PeJP NA NA +MJ092899 3-O-?-L-Arabinofuranosyl-D-xylose; ?-Pyranose-form, Me glycoside, pentabenzyl C46H50O9 746.345483 NA MeJP NA NA +PJ026353 PLQQMM C31H54N8O9S2 746.3455 NA PeJP NA NA +PJ026354 GSPPKMM C31H54N8O9S2 746.3456 NA PeJP NA NA +PJ026355 DDRRW C31H46N12O10 746.346 NA PeJP NA NA +PJ026356 GVMFFF C39H50N6O7S 746.3462 NA PeJP NA NA +PJ026357 STTLYY C35H50N6O12 746.3487 NA PeJP NA NA +PJ026358 SPCERR C28H50N12O10S 746.3494 NA PeJP NA NA +PJ026359 AERWW C36H46N10O8 746.35 NA PeJP NA NA +PJ026360 GGGGKWW C36H46N10O8 746.3501 NA PeJP NA NA +PJ026361 GPTMRW C33H50N10O8S 746.3534 NA PeJP NA NA +PJ026362 GLWWW C41H46N8O6 746.3541 NA PeJP NA NA +PJ026363 GKEEER C29H50N10O13 746.3559 NA PeJP NA NA +PJ026364 PVNMMR C30H54N10O8S2 746.3568 NA PeJP NA NA +PJ026365 SPNHHR C30H46N14O9 746.3572 NA PeJP NA NA +PJ026366 GGSPHHR C30H46N14O9 746.3573 NA PeJP NA NA +PJ026367 PKMWW C38H50N8O6S 746.3574 NA PeJP NA NA +PJ026368 GVKEEW C34H50N8O11 746.3599 NA PeJP NA NA +PJ026369 GGGAPLEF C34H50N8O11 746.36 NA PeJP NA NA +PJ026370 GNNMRR C27H50N14O9S 746.3606 NA PeJP NA NA +PJ026371 GLHHHF C35H46N12O7 746.3613 NA PeJP NA NA +PJ026372 PDKKEM C31H54N8O11S 746.3633 NA PeJP NA NA +PJ026373 AALFYY C39H50N6O9 746.3639 NA PeJP NA NA +PJ026374 GVVFYY C39H50N6O9 746.364 NA PeJP NA NA +PJ026375 GCKHFR C32H50N12O7S 746.3647 NA PeJP NA NA +PJ026376 SVDDRR C28H50N12O12 746.3671 NA PeJP NA NA +PJ026377 GTEERR C28H50N12O12 746.3672 NA PeJP NA NA +MJ092900 Pandicine C44H50N4O7 746.367949 NA MeJP NA NA +PJ026378 GPMMRR C29H54N12O7S2 746.368 NA PeJP NA NA +PJ026379 KEERW C33H50N10O10 746.3712 NA PeJP NA NA +PJ026380 SPKEMR C30H54N10O10S 746.3745 NA PeJP NA NA +PJ026381 GGVVEMR C30H54N10O10S 746.3746 NA PeJP NA NA +PJ026382 VKEWW C38H50N8O8 746.3752 NA PeJP NA NA +PJ026383 SSNQRR C27H50N14O11 746.3784 NA PeJP NA NA +PJ026384 SPVKMW C35H54N8O8S 746.3786 NA PeJP NA NA +PJ026385 VDKKEE C31H54N8O13 746.3811 NA PeJP NA NA +PJ026386 PLQKMM C32H58N8O8S2 746.3819 NA PeJP NA NA +PJ026387 TERRW C32H50N12O9 746.3824 NA PeJP NA NA +3510 ACE inhibitor (b-CN 193-198) YQQPVL 746.383 ACE inhibitor Inhouse_peptide NA peptide +PJ026388 PLLEEF C36H54N6O11 746.3851 NA PeJP NA NA +PJ026389 GVEMRR C29H54N12O9S 746.3858 NA PeJP NA NA +PJ026390 SLRWW C37H50N10O7 746.3864 NA PeJP NA NA +MJ092901 2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 16-O-(2,3-Di-O-acetyl-6-deoxy-?-L-allopyranoside) C40H58O13 746.387741 NA MeJP NA NA +MJ092902 2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 16-O-(2,4-Di-O-acetyl-6-deoxy-?-L-allopyranoside) C40H58O13 746.387741 NA MeJP NA NA +MJ092903 24,25-Epoxy-3,15,23-trihydroxy-7-cycloarten-16-one, 23-Ac, 3-O-(2-O-malonyl-?-D-xylopyranoside) C40H58O13 746.387741 NA MeJP NA NA +MJ092904 Spirostane-2,3,5,6,24-pentol, 3-Benzoyl, 2-O-?-D-glucopyranoside C40H58O13 746.387741 NA MeJP NA NA +PJ026391 LLLEEM C33H58N6O11S 746.3885 NA PeJP NA NA +MJ092905 2-Polyprenyl-1,4-benzenediol; 2-Heptaprenyl-1,4-benzenediol, Disulfate C41H62O8S2 746.38861 NA MeJP NA NA +PJ026392 AALMRW C34H54N10O7S 746.3898 NA PeJP NA NA +PJ026393 SVKEER C30H54N10O12 746.3923 NA PeJP NA NA +PJ026394 PCLKMR C31H58N10O7S2 746.3932 NA PeJP NA NA +PJ026395 GLQHHR C31H50N14O8 746.3936 NA PeJP NA NA +PJ026396 GGALHHR C31H50N14O8 746.3937 NA PeJP NA NA +PJ026397 ATLKEW C35H54N8O10 746.3963 NA PeJP NA NA +PJ026398 EMRRR C28H54N14O8S 746.397 NA PeJP NA NA +PJ026399 VLQKEM C32H58N8O10S 746.3997 NA PeJP NA NA +PJ026400 VMRRW C33H54N12O6S 746.401 NA PeJP NA NA +PJ026401 SSLERR C29H54N12O11 746.4035 NA PeJP NA NA +PJ026402 AAHHRR C30H50N16O7 746.4049 NA PeJP NA NA +PJ026403 ATTLRW C34H54N10O9 746.4075 NA PeJP NA NA +PJ026404 SSVLRW C34H54N10O9 746.4076 NA PeJP NA NA +PJ026405 ALKEMR C31H58N10O9S 746.4109 NA PeJP NA NA +PJ026406 GPLKFW C39H54N8O7 746.4116 NA PeJP NA NA +PJ026407 SSNKRR C28H54N14O10 746.4148 NA PeJP NA NA +PJ026408 GLLKMW C36H58N8O7S 746.415 NA PeJP NA NA +PJ026409 GSTLLKE C32H58N8O12 746.4174 NA PeJP NA NA +PJ026410 TLKKEE C32H58N8O12 746.4175 NA PeJP NA NA +MJ092906 Ferulenoloxyferulenol C48H58O7 746.418254 NA MeJP NA NA +PJ026411 PLKKMM C33H62N8O7S2 746.4183 NA PeJP NA NA +PJ026412 GPVRRY C33H54N12O8 746.4188 NA PeJP NA NA +3500 ACE inhibitor from as1-casein YKVPQL 746.419 ACE inhibitor Inhouse_peptide NA peptide +3346 ACE inhibitor IKPLNY 746.4199 celiac toxic Inhouse_peptide NA peptide +PJ026413 PLLLEY C37H58N6O10 746.4215 NA PeJP NA NA +PJ026414 ATLMRR C30H58N12O8S 746.4222 NA PeJP NA NA +C11958 Avermectin A2b monosaccharide C41H62O12 746.4241 NA KEGG NA NA +C11973 Avermectin B2a monosaccharide C41H62O12 746.4241 NA KEGG NA NA +PJ026415 TTLKER C31H58N10O11 746.4287 NA PeJP NA NA +PJ026416 PRRRY C32H54N14O7 746.43 NA PeJP NA NA +PJ026417 STLLKW C36H58N8O9 746.4327 NA PeJP NA NA +PJ026418 GCKKRR C29H58N14O7S 746.4334 NA PeJP NA NA +PJ026419 VLKKEM C33H62N8O9S 746.4361 NA PeJP NA NA +PJ026420 TTTLRR C30H58N12O10 746.4399 NA PeJP NA NA +PJ026421 GTKKKW C35H58N10O8 746.4439 NA PeJP NA NA +PJ026422 GAALLFR C35H58N10O8 746.444 NA PeJP NA NA +MJ092907 Cholestane-3,4,6,8,15,24-hexol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?3)-?-L-arabinofuranoside] C38H66O14 746.445256 NA MeJP NA NA +MJ092908 Cholestane-3,4,6,8,15,24-hexol, 3-O-(2-O-Methyl-?-D-xylopyranoside), 24-O-?-L-arabinofuranoside C38H66O14 746.445256 NA MeJP NA NA +MJ092909 Cholestane-3,4,6,8,15,24-hexol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?5)-?-L-arabinofuranoside] C38H66O14 746.445256 NA MeJP NA NA +MJ092910 Cholestane-3,4,6,8,15,24-hexol, 24-O-[4-O-Methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] C38H66O14 746.445256 NA MeJP NA NA +MJ092911 Cholestane-3,5,6,8,15,24-hexol, 24-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-L-arabinofuranoside] C38H66O14 746.445256 NA MeJP NA NA +MJ092912 Cholestane-3,5,6,8,15,24-hexol, 3-O-(2-O-Methyl-?-D-xylopyranoside), 24-O-?-L-arabinofuranoside C38H66O14 746.445256 NA MeJP NA NA +MJ092913 Cholestane-3,5,6,8,15,24-hexol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-arabinofuranoside] C38H66O14 746.445256 NA MeJP NA NA +MJ092914 Cholestane-3,6,7,8,15,24-hexol, 24-O-[?-D-Xylopyranosyl-(1?2)-3-O-methyl-?-D-xylopyranoside] C38H66O14 746.445256 NA MeJP NA NA +MJ092915 Cholestane-3,6,8,15,24-pentol, 3-O-?-D-Xylopyranoside, 24-O-?-D-glucopyranoside C38H66O14 746.445256 NA MeJP NA NA +MJ092916 Stenopaluside C38H66O14 746.445256 NA MeJP NA NA +PJ026423 SLLKMR C32H62N10O8S 746.4473 NA PeJP NA NA +PJ026424 SSSLLLK C33H62N8O11 746.4538 NA PeJP NA NA +PJ026425 GVLFRR C34H58N12O7 746.4552 NA PeJP NA NA +PJ026426 LLLLEF C38H62N6O9 746.4579 NA PeJP NA NA +PJ026427 GKKKMR C31H62N12O7S 746.4585 NA PeJP NA NA +MJ092917 3-Hydroxy-12,18-ursadien-28-oic acid, 3-O-(Rhamnosylrhamnoside) C42H66O11 746.460512 NA MeJP NA NA +MJ092918 Antibiotic CP 44161 C42H66O11 746.460512 NA MeJP NA NA +PJ026428 SKKKKE C32H62N10O10 746.4651 NA PeJP NA NA +PJ026429 LFRRR C33H58N14O6 746.4664 NA PeJP NA NA +PJ026430 PVLKKY C37H62N8O8 746.4691 NA PeJP NA NA +MJ092919 3,4-Dihydroxyplectaniaxanthin; 2'-O-L-Rhamnopyranoside C46H66O8 746.475769 NA MeJP NA NA +MJ092920 Myxol; 2'-O-Glucopyranoside C46H66O8 746.475769 NA MeJP NA NA +PJ026431 STKKKR C31H62N12O9 746.4763 NA PeJP NA NA +PJ026432 ALLKFR C36H62N10O7 746.4803 NA PeJP NA NA +PJ026433 CLKKKK C33H66N10O7S 746.4837 NA PeJP NA NA +PJ026434 LLLLLY C39H66N6O8 746.4942 NA PeJP NA NA +MJ092921 Antibiotic C 076; Antibiotic C 076Ia C43H70O10 746.496898 NA MeJP NA NA +MetaCyc04093 1-18:3-2-16:3-monogalactosyldiacylglycerol [] C43H70O10 746.496898 NA metacyc NA NA +MJ092922 1-De-L-lysine-2-[N2(2,6-diaminohexyl)-L-lysine]neuromedin N (pig spinal cord) C38H66N8O7 746.505446 NA MeJP NA NA +PJ026435 VLLKKF C38H66N8O7 746.5055 NA PeJP NA NA +MJ092923 Bistramide A; 39-Ac C42H70N2O9 746.508131 NA MeJP NA NA +HMDB10575 PG(16:0/18:2(9Z,12Z)) C40H75O10P 746.509766 NA HMDB2010 NA NA +HMDB10588 PG(16:1(9Z)/18:1(11Z)) C40H75O10P 746.509766 NA HMDB2010 NA NA +HMDB10589 PG(16:1(9Z)/18:1(9Z)) C40H75O10P 746.509766 NA HMDB2010 NA NA +HMDB10616 PG(18:1(11Z)/16:1(9Z)) C40H75O10P 746.509766 NA HMDB2010 NA NA +HMDB10631 PG(18:1(9Z)/16:1(9Z)) C40H75O10P 746.509766 NA HMDB2010 NA NA +HMDB10645 PG(18:2(9Z,12Z)/16:0) C40H75O10P 746.509766 NA HMDB2010 NA NA +MJ092924 Azralidol; O-[?-L-Rhamnopyranosyl(1?6)-?-D-glucopyranoside] C40H74O12 746.518027 NA MeJP NA NA +MJ092925 Dolastatin H C41H70N4O8 746.519365 NA MeJP NA NA +MJ092926 Isodolastatin H C41H70N4O8 746.519365 NA MeJP NA NA +EUR1085 SM(d18:1/18:3) [M+Na]+ C41H77N2O6P 746.533872 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1085 SM(d18:1/18:3) [M+Na]+ C41H77N2O6P 746.533872 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1085 SM(d18:1/18:3) [M+Na]+ C41H77N2O6P 746.533872 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1085 SM(d18:1/18:3) [M+Na]+ C41H77N2O6P 746.533872 masses lipides attendues Inhousejuil11 NA NA +C13894 1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine C42H85NO7P 746.6064 NA KEGG NA NA +EUR1051 SM(d18:0/20:0) [M-H-CH3]- C43H89N2O6P 746.630176 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1051 SM(d18:0/20:0) [M-H-CH3]- C43H89N2O6P 746.630176 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1051 SM(d18:0/20:0) [M-H-CH3]- C43H89N2O6P 746.630176 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1051 SM(d18:0/20:0) [M-H-CH3]- C43H89N2O6P 746.630176 masses lipides attendues Inhousejuil11 NA NA +MJ092927 26-Methyloctacosanoic acid; Docosyl ester C51H102O2 746.787982 NA MeJP NA NA +MJ092928 Iotriside C16H20I3N3O7 746.84353 NA MeJP NA NA +4002 Substance P RPKPQQFFFGLM~ 746.8902 MH2+ Inhouse_peptide NA peptide +PJ026436 SCCCCDD C23H37N7O13S4 747.1332 NA PeJP NA NA +PJ026437 GCCCCEM C24H41N7O10S5 747.1519 NA PeJP NA NA +PJ026438 CCCCMW C28H41N7O7S5 747.1671 NA PeJP NA NA +PJ026439 SSCCCDM C24H41N7O12S4 747.1696 NA PeJP NA NA +FL7AACGA0013 Cyanidin 3-O-(2''-O-galloyl-6''-O-alpha-rhamnopyranosyl-beta-galactopyranoside C34H35O19 747.17725 637775-65-6 knapsack NA NA +FL7AACGL0039 Cyanidin 3-(2G-galloylrutinoside) C34H35O19 747.17725 140447-91-2 knapsack NA NA +PJ026440 GPCCCCY C28H41N7O9S4 747.1849 NA PeJP NA NA +PJ026441 GTCCCMM C25H45N7O9S5 747.1883 NA PeJP NA NA +PJ026442 CCNDMY C28H41N7O11S3 747.2026 NA PeJP NA NA +PJ026443 GACCCEY C28H41N7O11S3 747.2027 NA PeJP NA NA +PJ026444 SSSCCMM C25H45N7O11S4 747.206 NA PeJP NA NA +PJ026445 GSCDDDH C26H37N9O15S 747.213 NA PeJP NA NA +PJ026446 GPCCCEH C27H41N9O10S3 747.2139 NA PeJP NA NA +PJ026447 ACCCYW C32H41N7O8S3 747.2179 NA PeJP NA NA +PJ026448 GPDDDDD C27H37N7O18 747.2195 NA PeJP NA NA +PJ026449 GSSCCEY C28H41N7O13S2 747.2204 NA PeJP NA NA +PJ026450 CCNMMF C29H45N7O8S4 747.2213 NA PeJP NA NA +PJ026451 PCCCHW C31H41N9O7S3 747.2291 NA PeJP NA NA +PJ026452 CNDEMH C27H41N9O12S2 747.2316 NA PeJP NA NA +PJ026453 SSCCYW C32H41N7O10S2 747.2357 NA PeJP NA NA +PJ026454 SSSSCDY C28H41N7O15S 747.2381 NA PeJP NA NA +PJ026455 SPPCDDD C28H41N7O15S 747.2382 NA PeJP NA NA +PJ026456 SCNMMY C29H45N7O10S3 747.239 NA PeJP NA NA +PJ026457 CCDDHR C26H41N11O11S2 747.2429 NA PeJP NA NA +MJ092929 Ecteinascidin 743; N12-De-Me C38H41N3O11S 747.246179 NA MeJP NA NA +PJ026458 GCDMHW C31H41N9O9S2 747.2469 NA PeJP NA NA +PJ026459 GSSDDMH C27H41N9O14S 747.2494 NA PeJP NA NA +PJ026460 TCCCRY C28H45N9O9S3 747.2503 NA PeJP NA NA +PJ026461 GCNEYY C32H41N7O12S 747.2534 NA PeJP NA NA +PJ026462 GSPDDEE C28H41N7O17 747.2559 NA PeJP NA NA +PJ026463 GSSTCMY C29H45N7O12S2 747.2568 NA PeJP NA NA +PJ026464 SSSCNNH C26H41N11O13S 747.2606 NA PeJP NA NA +PJ026465 SSCEHW C31H41N9O11S 747.2647 NA PeJP NA NA +PJ026466 SSSSDEH C27H41N9O16 747.2671 NA PeJP NA NA +PJ026467 NNNEEE C27H41N9O16 747.2672 NA PeJP NA NA +PJ026468 SNEMMH C28H45N9O11S2 747.268 NA PeJP NA NA +PJ026469 CNYYW C36H41N7O9S 747.2687 NA PeJP NA NA +PJ026470 SPDDEW C32H41N7O14 747.2712 NA PeJP NA NA +PJ026471 GCQMFY C33H45N7O9S2 747.272 NA PeJP NA NA +PJ026472 PPCDMW C33H45N7O9S2 747.2721 NA PeJP NA NA +MJ092930 Perdeacylchuchuhuanine; 1,2,8,9,14-Penta-Ac C36H45NO16 747.273834 NA MeJP NA NA +MJ092931 Perdeacylchuchuhuanine; 1,6,8,9,14-Penta-Ac C36H45NO16 747.273834 NA MeJP NA NA +PJ026473 SSSSSMY C29H45N7O14S 747.2745 NA PeJP NA NA +PJ026474 PNEEEM C29H45N7O14S 747.2746 NA PeJP NA NA +PJ026475 TCCKMY C30H49N7O9S3 747.2754 NA PeJP NA NA +PJ026476 CNNNHF C30H41N11O10S 747.2759 NA PeJP NA NA +MJ092932 Maytanbicyclinol C36H46ClN3O12 747.277001 NA MeJP NA NA +PJ026477 NNDDDR C26H41N11O15 747.2784 NA PeJP NA NA +PJ026478 SCDMHR C27H45N11O10S2 747.2793 NA PeJP NA NA +PJ026479 GNNEEW C31H41N9O13 747.2824 NA PeJP NA NA +PJ026480 GSMMHW C32H45N9O8S2 747.2833 NA PeJP NA NA +MJ092933 Cephabacin H; Cephabacin H4, N27-L-Seryl C28H45N9O13S 747.285753 NA MeJP NA NA +PJ026481 PDDDMR C28H45N9O13S 747.2858 NA PeJP NA NA +PJ026482 AQMMMH C29H49N9O8S3 747.2866 NA PeJP NA NA +PJ026483 GAAMMMH C29H49N9O8S3 747.2867 NA PeJP NA NA +PJ026484 SCQHHH C29H41N13O9S 747.2871 NA PeJP NA NA +PJ026485 GPEEMW C33H45N7O11S 747.2898 NA PeJP NA NA +PJ026486 VNEEEE C29H45N7O16 747.2923 NA PeJP NA NA +PJ026487 GSPPEMM C30H49N7O11S2 747.2932 NA PeJP NA NA +PJ026488 SNNNNW C30H41N11O12 747.2936 NA PeJP NA NA +PJ026489 GGGGSNNW C30H41N11O12 747.2937 NA PeJP NA NA +PJ026490 GSPCNDR C27H45N11O12S 747.297 NA PeJP NA NA +PJ026491 GGGGGGGGAAM C27H45N11O12S 747.2971 NA PeJP NA NA +PJ026492 NNEWW C35H41N9O10 747.2977 NA PeJP NA NA +PJ026493 ACMMHR C28H49N11O7S3 747.2979 NA PeJP NA NA +PJ026494 SSTMHW C32H45N9O10S 747.301 NA PeJP NA NA +PJ026495 GGGGSPMW C32H45N9O10S 747.3011 NA PeJP NA NA +PJ026496 ADEEER C28H45N9O15 747.3035 NA PeJP NA NA +PJ026497 GEEEER C28H45N9O15 747.3036 NA PeJP NA NA +PJ026498 SDKMMH C29H49N9O10S2 747.3044 NA PeJP NA NA +PJ026499 GSSSHHH C29H41N13O11 747.3049 NA PeJP NA NA +PJ026500 PEMWW C37H45N7O8S 747.3051 NA PeJP NA NA +PJ026501 SSTQYY C33H45N7O13 747.3075 NA PeJP NA NA +PJ026502 GVEEEW C33H45N7O13 747.3076 NA PeJP NA NA +PJ026503 CNNNQR C26H45N13O11S 747.3082 NA PeJP NA NA +PJ026504 GGCNNQR C26H45N13O11S 747.3083 NA PeJP NA NA +PJ026505 SPPMMW C34H49N7O8S2 747.3084 NA PeJP NA NA +PJ026506 GPDHHW C34H41N11O9 747.3089 NA PeJP NA NA +MJ092934 Antibiotic YL 01641P-B2; 4-Me ether C37H49NO15 747.310219 NA MeJP NA NA +PJ026507 PDKEEM C30H49N7O13S 747.3109 NA PeJP NA NA +PJ026508 AAPPMMM C31H53N7O8S3 747.3118 NA PeJP NA NA +PJ026509 GCEHFR C31H45N11O9S 747.3123 NA PeJP NA NA +PJ026510 GNWWW C39H41N9O7 747.3129 NA PeJP NA NA +MJ092935 Trewiasine; 2'',3''-Didehydro C37H50ClN3O11 747.313387 NA MeJP NA NA +PJ026511 SNNEER C27H45N11O14 747.3148 NA PeJP NA NA +PJ026512 SSMMHR C28H49N11O9S2 747.3156 NA PeJP NA NA +PJ026513 GGPCQMR C28H49N11O9S2 747.3157 NA PeJP NA NA +PJ026514 QMHFW C36H45N9O7S 747.3163 NA PeJP NA NA +PJ026515 EEERW C32H45N9O12 747.3188 NA PeJP NA NA +PJ026516 GNHHHF C33H41N13O8 747.3201 NA PeJP NA NA +PJ026517 GGGHHHF C33H41N13O8 747.3202 NA PeJP NA NA +PJ026518 SPEEMR C29H49N9O12S 747.3222 NA PeJP NA NA +PJ026519 VEEWW C37H45N7O10 747.3228 NA PeJP NA NA +PJ026520 AKMMMH C30H53N9O7S3 747.323 NA PeJP NA NA +PJ026521 SCKHHH C30H45N13O8S 747.3235 NA PeJP NA NA +PJ026522 GSSNNNR C26H45N13O13 747.326 NA PeJP NA NA +PJ026523 SPVEMW C34H49N7O10S 747.3262 NA PeJP NA NA +PJ026524 PCCNRR C27H49N13O8S2 747.3269 NA PeJP NA NA +PJ026525 CHFRW C35H45N11O6S 747.3275 NA PeJP NA NA +PJ026526 VDKEEE C30H49N7O15 747.3287 NA PeJP NA NA +MJ092936 3-(Methylthio)rifamycin; 16,17,18,19,28,29-Hexahydro, 1,4-Quinone C38H53NO12S 747.328846 NA MeJP NA NA +PJ026527 PLQEMM C31H53N7O10S2 747.3296 NA PeJP NA NA +PJ026528 GSNERW C31H45N11O11 747.33 NA PeJP NA NA +PJ026529 GQQEMR C28H49N11O11S 747.3334 NA PeJP NA NA +PJ026530 NDKWW C36H45N9O9 747.334 NA PeJP NA NA +PJ026531 GGDKWW C36H45N9O9 747.3341 NA PeJP NA NA +PJ026532 GVQQMW C33H49N9O9S 747.3374 NA PeJP NA NA +PJ026533 PPYWW C41H45N7O7 747.3381 NA PeJP NA NA +PJ026534 SVEEER C29H49N9O14 747.3399 NA PeJP NA NA +PJ026535 PVDMMR C30H53N9O9S2 747.3408 NA PeJP NA NA +PJ026536 SPDHHR C30H45N13O10 747.3413 NA PeJP NA NA +PJ026537 APPMFW C38H49N7O7S 747.3414 NA PeJP NA NA +PJ026538 PPVCFW C38H49N7O7S 747.3415 NA PeJP NA NA +PJ026539 ATLEEW C34H49N7O12 747.3439 NA PeJP NA NA +PJ026540 PPDKEY C34H49N7O12 747.344 NA PeJP NA NA +PJ026541 GNDMRR C27H49N13O10S 747.3446 NA PeJP NA NA +PJ026542 GGGDMRR C27H49N13O10S 747.3447 NA PeJP NA NA +PJ026543 APLMMW C35H53N7O7S2 747.3448 NA PeJP NA NA +PJ026544 SNRWW C35H45N11O8 747.3453 NA PeJP NA NA +PJ026545 VLQEEM C31H53N7O12S 747.3473 NA PeJP NA NA +3511 ACE inhibitor (b-CN 108-113) EMPFPK 747.3484 ACE inhibitor Inhouse_peptide NA peptide +7502 ACE inhibitor from b-CN EMPFPK 747.3484 antioxidative Inhouse_peptide NA peptide +PJ026546 QQMRW C32H49N11O8S 747.3486 NA PeJP NA NA +PJ026547 GAQMRW C32H49N11O8S 747.3487 NA PeJP NA NA +3127 exorphin from bovine alpha-S1-casein fr:194-199 TTMPLW 747.3494 celiac toxic Inhouse_peptide NA peptide +3530 ACE inhibitor (fr, of as1-casein, 194-199) TTMPLW 747.3494 ACE inhibitor Inhouse_peptide NA peptide +8172 peptide derived from bovine aS1-casein (194-199) TTMPLW 747.3494 antibacterial Inhouse_peptide NA peptide +MJ092937 Maytansine; N-De-Ac, N2'-(3-methylpentanoyl) C38H54ClN3O10 747.349772 NA MeJP NA NA +PJ026548 ASTNNNK C28H49N11O13 747.3511 NA PeJP NA NA +PJ026549 SNDKER C28H49N11O13 747.3512 NA PeJP NA NA +PJ026550 PCNKMR C29H53N11O8S2 747.352 NA PeJP NA NA +PJ026551 GNQHHR C29H45N15O9 747.3525 NA PeJP NA NA +PJ026552 KMHFW C37H49N9O6S 747.3527 NA PeJP NA NA +PJ026553 GTQKEW C33H49N9O11 747.3552 NA PeJP NA NA +MJ092938 Respirantin C37H53N3O13 747.357838 NA MeJP NA NA +PJ026554 GSPTQKM C30H53N9O11S 747.3585 NA PeJP NA NA +PJ026555 ALEEMR C30H53N9O11S 747.3586 NA PeJP NA NA +PJ026556 SPPVYW C38H49N7O9 747.3592 NA PeJP NA NA +PJ026557 CQRRW C31H49N13O7S 747.3599 NA PeJP NA NA +PJ026558 SSNERR C27H49N13O12 747.3624 NA PeJP NA NA +PJ026559 GLLEMW C35H53N7O9S 747.3626 NA PeJP NA NA +PJ026560 TLKEEE C31H53N7O14 747.3651 NA PeJP NA NA +PJ026561 GSPLLMM C32H57N7O9S2 747.3659 NA PeJP NA NA +PJ026562 PLKEMM C32H57N7O9S2 747.366 NA PeJP NA NA +PJ026563 GSDKRW C32H49N11O10 747.3664 NA PeJP NA NA +7662 ACE inhibitor from b-CN (193-198) YQEPVL 747.367 antioxidative Inhouse_peptide NA peptide +PJ026564 GQKEMR C29H53N11O10S 747.3698 NA PeJP NA NA +PJ026565 TQKWW C37H49N9O8 747.3704 NA PeJP NA NA +PJ026566 GGALHFF C37H49N9O8 747.3705 NA PeJP NA NA +PJ026567 GVQKMW C34H53N9O8S 747.3738 NA PeJP NA NA +PJ026568 PLFWW C42H49N7O6 747.3745 NA PeJP NA NA +PJ026569 TTLEER C30H53N9O13 747.3763 NA PeJP NA NA +PJ026570 PTLMMR C31H57N9O8S2 747.3772 NA PeJP NA NA +PJ026571 AQQKHH C31H49N13O9 747.3776 NA PeJP NA NA +PJ026572 GSSRRW C31H49N13O9 747.3777 NA PeJP NA NA +PJ026573 LLMWW C39H53N7O6S 747.3778 NA PeJP NA NA +PJ026574 STLLEW C35H53N7O11 747.3803 NA PeJP NA NA +PJ026575 GTQMRR C28H53N13O9S 747.381 NA PeJP NA NA +PJ026576 GVLHHW C36H49N11O7 747.3817 NA PeJP NA NA +PJ026577 VLKEEM C32H57N7O11S 747.3837 NA PeJP NA NA +PJ026578 QKMRW C33H53N11O7S 747.385 NA PeJP NA NA +PJ026579 GAKMRW C33H53N11O7S 747.3851 NA PeJP NA NA +PJ026580 STQKER C29H53N11O12 747.3875 NA PeJP NA NA +PJ026581 GGASSTLR C29H53N11O12 747.3876 NA PeJP NA NA +PJ026582 GNKHHR C30H49N15O8 747.3889 NA PeJP NA NA +PJ026583 GTKKEW C34H53N9O10 747.3916 NA PeJP NA NA +PJ026584 GTCRRR C27H53N15O8S 747.3923 NA PeJP NA NA +PJ026585 LHHRW C35H49N13O6 747.3929 NA PeJP NA NA +PJ026586 SLLEMR C31H57N9O10S 747.3949 NA PeJP NA NA +PJ026587 GGVKKEM C31H57N9O10S 747.395 NA PeJP NA NA +PJ026588 GPLLYW C39H53N7O8 747.3956 NA PeJP NA NA +PJ026589 CKRRW C32H53N13O6S 747.3963 NA PeJP NA NA +PJ026590 SSDKRR C28H53N13O11 747.3988 NA PeJP NA NA +PJ026591 SVLLMW C36H57N7O8S 747.399 NA PeJP NA NA +PJ026592 SSSLLLE C32H57N7O13 747.4015 NA PeJP NA NA +PJ026593 LLLQMM C33H61N7O8S2 747.4023 NA PeJP NA NA +PJ026594 GTTKRW C33H53N11O9 747.4028 NA PeJP NA NA +7818 ACE inhibitor from mushroom Tricholoma giganteum VIEKYP 747.403 antibacterial Inhouse_peptide NA peptide +MJ092939 Fumonisin A1; 10-Deoxy C36H61NO15 747.40412 NA MeJP NA NA +PJ026595 GKKEMR C30H57N11O9S 747.4062 NA PeJP NA NA +PJ026596 TKKWW C38H53N9O7 747.4068 NA PeJP NA NA +PJ026597 SSSRRR C27H53N15O10 747.41 NA PeJP NA NA +PJ026598 GVKKMW C35H57N9O7S 747.4102 NA PeJP NA NA +PJ026599 SKKKEE C31H57N9O12 747.4127 NA PeJP NA NA +PJ026600 VVLMMR C32H61N9O7S2 747.4136 NA PeJP NA NA +PJ026601 AAQFRR C32H53N13O8 747.414 NA PeJP NA NA +3365 ACE inhibitor FQKVVAG 747.414 celiac toxic Inhouse_peptide NA peptide +PJ026602 GGGVFRR C32H53N13O8 747.4141 NA PeJP NA NA +PJ026603 PVLKEY C36H57N7O10 747.4167 NA PeJP NA NA +27 Hemoglobin FQKVVAG 747.417 celiac toxic Inhouse_peptide NA peptide +PJ026604 GTKMRR C29H57N13O8S 747.4174 NA PeJP NA NA +PJ026605 GTTLLLM C33H61N7O10S 747.4201 NA PeJP NA NA +PJ026606 KKMRW C34H57N11O6S 747.4214 NA PeJP NA NA +PJ026607 STKKER C30H57N11O11 747.4239 NA PeJP NA NA +PJ026608 NFRRR C31H53N15O7 747.4253 NA PeJP NA NA +PJ026609 SSLKKW C35H57N9O9 747.4279 NA PeJP NA NA +PJ026610 SPLLRY C35H57N9O9 747.428 NA PeJP NA NA +PJ026611 VDKKKM C32H61N9O9S 747.4313 NA PeJP NA NA +PJ026612 GLLLFW C40H57N7O7 747.432 NA PeJP NA NA +PJ026613 STTKRR C29H57N13O10 747.4352 NA PeJP NA NA +PJ026614 PLLKMF C37H61N7O7S 747.4354 NA PeJP NA NA +PJ026615 STTTLLL C33H61N7O12 747.4378 NA PeJP NA NA +PJ026616 LLLKMM C34H65N7O7S2 747.4387 NA PeJP NA NA +PJ026617 GPKKRY C34H57N11O8 747.4392 NA PeJP NA NA +C06634 Erythromycin E C37H65NO14 747.4405 NA KEGG NA NA +MJ092940 Erythromycin E C37H65NO14 747.440505 NA MeJP NA NA +PJ026618 SVKKMR C31H61N11O8S 747.4426 NA PeJP NA NA +PJ026619 GTTTLKK C32H61N9O11 747.4491 NA PeJP NA NA +PJ026620 AAKFRR C33H57N13O7 747.4504 NA PeJP NA NA +PJ026621 VLLLQY C37H61N7O9 747.4531 NA PeJP NA NA +PJ026622 ALLLRY C36H61N9O8 747.4643 NA PeJP NA NA +PJ026623 GGVLKKF C36H61N9O8 747.4644 NA PeJP NA NA +PJ026624 TLKKKM C33H65N9O8S 747.4677 NA PeJP NA NA +PJ026625 GLKKFR C35H61N11O7 747.4756 NA PeJP NA NA +MJ092941 Erythromycin; O6-Me C38H69NO13 747.476891 NA MeJP NA NA +C06912 Clarithromycin C38H69NO13 747.4769 NA KEGG NA NA +MJ092942 Microcolin A C39H65N5O9 747.478228 NA MeJP NA NA +PJ026626 VLLLKY C38H65N7O8 747.4895 NA PeJP NA NA +3196 crabolin from venom of European hornet Vespa crabr FLPLILRKIVTAL~ 747.49345 MH2+ Inhouse_peptide NA peptide +PJ026627 VVKKKF C37H65N9O7 747.5007 NA PeJP NA NA +HMDB05780 PE(O-16:1(1Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C43H74NO7P 747.520264 NA HMDB2010 NA NA +HMDB09479 PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(11Z)) C43H74NO7P 747.520264 NA HMDB2010 NA NA +HMDB09480 PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(9Z)) C43H74NO7P 747.520264 NA HMDB2010 NA NA +HMDB09708 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-16:0) C43H74NO7P 747.520264 NA HMDB2010 NA NA +HMDB11420 PE(P-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C43H74NO7P 747.520264 NA HMDB2010 NA NA +HMDB11453 PE(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C43H74NO7P 747.520264 NA HMDB2010 NA NA +EUR1072 SM(d18:1/16:1) [M+FA-H]- C39H78N2O6P 747.564631 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1072 SM(d18:1/16:1) [M+FA-H]- C39H78N2O6P 747.564631 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1072 SM(d18:1/16:1) [M+FA-H]- C39H78N2O6P 747.564631 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1072 SM(d18:1/16:1) [M+FA-H]- C39H78N2O6P 747.564631 masses lipides attendues Inhousejuil11 NA NA +HMDB05319 GPEtn(16:0/20:0) C41H82NO8P 747.57782 http://www.hmdb.ca/metabolites/HMDB05319 HMDB NA NA +HMDB05327 GPEtn(18:0/18:0)[U] C41H82NO8P 747.57782 http://www.hmdb.ca/metabolites/HMDB05327 HMDB NA NA +HMDB05319 GPEtn(16:0/20:0) C41H82NO8P 747.57782 HMDB05319 PFEM_hmdb_metabocards_official NA NA +HMDB05327 GPEtn(18:0/18:0)[U] C41H82NO8P 747.57782 HMDB05327 PFEM_hmdb_metabocards_official NA NA +HMDB07937 PC(15:0/18:0) C41H82NO8P 747.57782 NA HMDB2010 NA NA +HMDB08033 PC(18:0/15:0) C41H82NO8P 747.57782 NA HMDB2010 NA NA +HMDB08841 PE(14:0/22:0) C41H82NO8P 747.57782 NA HMDB2010 NA NA +HMDB08932 PE(16:0/20:0) C41H82NO8P 747.57782 NA HMDB2010 NA NA +HMDB08991 PE(18:0/18:0) C41H82NO8P 747.57782 NA HMDB2010 NA NA +HMDB09220 PE(20:0/16:0) C41H82NO8P 747.57782 NA HMDB2010 NA NA +HMDB09481 PE(22:0/14:0) C41H82NO8P 747.57782 NA HMDB2010 NA NA +HMDB13405 PC(o-16:0/18:0) C42H86NO7P 747.614197 NA HMDB2010 NA NA +MJ092943 Aplysiatoxin; 19-Bromo C32H46Br2O10 748.145772 NA MeJP NA NA +C16770 19-Bromoaplysiatoxin C32H46Br2O10 748.1458 NA KEGG NA NA +PJ026628 SCCCCCQ C23H40N8O10S5 748.1471 NA PeJP NA NA +FL5FACGS0098 Quercetin 3-(2'''-galloylglucosyl)-(1->2)-alpha-L-arabinofuranoside;Pachyrrhizin (Euphorbia);2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[2-O-[2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]-alpha-L-arabinofuranosyl]oxy]-4H-1-benzopyran-4-one C33H32O20 748.14869 277316-77-5 knapsack NA NA +PJ026629 GSSSCCCC C23H40N8O12S4 748.1649 NA PeJP NA NA +PJ026630 GCCCCNF C27H40N8O9S4 748.1801 NA PeJP NA NA +PJ026631 GGGCCCCF C27H40N8O9S4 748.1802 NA PeJP NA NA +PJ026632 SCCCCCK C24H44N8O9S5 748.1835 NA PeJP NA NA +PJ026633 CCDDMY C28H40N6O12S3 748.1867 NA PeJP NA NA +PJ026634 CCMMMM C26H48N6O7S6 748.1909 NA PeJP NA NA +PJ026635 GSCCCNY C27H40N8O11S3 748.1979 NA PeJP NA NA +MJ092944 Julichrome Q3.3; 9-Ketone C38H36O16 748.200335 NA MeJP NA NA +PJ026636 CCDMMF C29H44N6O9S4 748.2053 NA PeJP NA NA +PJ026637 CDDEMH C27H40N8O13S2 748.2157 NA PeJP NA NA +PJ026638 CCDDFF C32H40N6O11S2 748.2197 NA PeJP NA NA +PJ026639 SCDMMY C29H44N6O11S3 748.223 NA PeJP NA NA +PJ026640 CCCHHF C30H40N10O7S3 748.2244 NA PeJP NA NA +PJ026641 GSCCNEH C26H40N10O12S2 748.2269 NA PeJP NA NA +PJ026642 GPCNDDE C27H40N8O15S 748.2334 NA PeJP NA NA +PJ026643 GCDEYY C32H40N6O13S 748.2374 NA PeJP NA NA +PJ026644 ACMMMY C30H48N6O8S4 748.2417 NA PeJP NA NA +PJ026645 SCCNHW C30H40N10O9S2 748.2421 NA PeJP NA NA +PJ026646 GGSCCHW C30H40N10O9S2 748.2422 NA PeJP NA NA +PJ026647 SSSCNDH C26H40N10O14S 748.2446 NA PeJP NA NA +PJ026648 GGSSSCDH C26H40N10O14S 748.2447 NA PeJP NA NA +PJ026649 CNNMMH C27H44N10O9S3 748.2455 NA PeJP NA NA +PJ026650 PCNDDW C31H40N8O12S 748.2487 NA PeJP NA NA +PJ026651 NNDEEE C27H40N8O17 748.2512 NA PeJP NA NA +PJ026652 SDEMMH C28H44N8O12S2 748.252 NA PeJP NA NA +PJ026653 GGSPPCCE C28H44N8O12S2 748.2521 NA PeJP NA NA +PJ026654 CDYYW C36H40N6O10S 748.2527 NA PeJP NA NA +PJ026655 PCMMMH C29H48N8O7S4 748.2529 NA PeJP NA NA +PJ026656 SSDDYY C32H40N6O15 748.2552 NA PeJP NA NA +PJ026657 GCNNNNN C25H40N12O13S 748.2559 NA PeJP NA NA +PJ026658 PTCCYY C33H44N6O10S2 748.2561 NA PeJP NA NA +PJ026659 CCCQHR C26H44N12O8S3 748.2568 NA PeJP NA NA +PJ026660 PDEEEM C29H44N6O15S 748.2586 NA PeJP NA NA +PJ026661 SSMMMY C30H48N6O10S3 748.2594 NA PeJP NA NA +PJ026662 CNNDHF C30H40N10O11S 748.2599 NA PeJP NA NA +PJ026663 NDDDDR C26H40N10O16 748.2624 NA PeJP NA NA +PJ026664 GSSCQMH C27H44N10O11S2 748.2633 NA PeJP NA NA +PJ026665 GNDEEW C31H40N8O14 748.2664 NA PeJP NA NA +PJ026666 GSPPCCW C32H44N8O9S2 748.2673 NA PeJP NA NA +PJ026667 GSPNDEM C28H44N8O14S 748.2698 NA PeJP NA NA +PJ026668 AEMMMH C29H48N8O9S3 748.2707 NA PeJP NA NA +PJ026669 SCEHHH C29H40N12O10S 748.2711 NA PeJP NA NA +PJ026670 CMFYW C37H44N6O7S2 748.2713 NA PeJP NA NA +MJ092945 Shizukaol B; 3''?-Hydroxy C40H44O14 748.273106 NA MeJP NA NA +MJ092946 Shizukaol H C40H44O14 748.273106 NA MeJP NA NA +PJ026671 GSEMYY C33H44N6O12S 748.2738 NA PeJP NA NA +PJ026672 GSSCCHR C26H44N12O10S2 748.2745 NA PeJP NA NA +PJ026673 ACMMFF C34H48N6O7S3 748.2747 NA PeJP NA NA +HMDB02067 O-b-D-Gal-(1->3)-O-[O-b-D-Gal-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose C28H48N2O21 748.27496 http://www.hmdb.ca/metabolites/HMDB02067 HMDB NA NA +HMDB02067 O-b-D-Gal-(1->3)-O-[O-b-D-Gal-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose C28H48N2O21 748.27496 HMDB02067 PFEM_hmdb_metabocards_official NA NA +HMDB02067 O-b-D-Gal-(1->3)-O-[O-b-D-Gal-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose C28H48N2O21 748.274963 NA HMDB2010 NA NA +PJ026674 VDEEEE C29H44N6O17 748.2763 NA PeJP NA NA +PJ026675 SNNNDW C30H40N10O13 748.2777 NA PeJP NA NA +MJ092947 Laciniatoside V; 1'-O-?-D-Glucopyranoside C33H48O19 748.278979 NA MeJP NA NA +MJ092948 Ligustrinoside C33H48O19 748.278979 NA MeJP NA NA +C00862 Methanofuran C34H44N4O15 748.2803 NA KEGG NA NA +C00863 Monoterpenol HOR 748.2803 NA KEGG NA NA +MJ092949 Methanofuran C34H44N4O15 748.280316 NA MeJP NA NA +PJ026676 GSPCDDR C27H44N10O13S 748.281 NA PeJP NA NA +PJ026677 GGGGGGGAEM C27H44N10O13S 748.2811 NA PeJP NA NA +PJ026678 NDEWW C35H40N8O11 748.2817 NA PeJP NA NA +PJ026679 APPCCCR C28H48N10O8S3 748.2819 NA PeJP NA NA +PJ026680 SPNDMW C32H44N8O11S 748.2851 NA PeJP NA NA +PJ026681 SQQEEE C28H44N8O16 748.2875 NA PeJP NA NA +PJ026682 TNQEEE C28H44N8O16 748.2876 NA PeJP NA NA +MJ092950 Sanggenol M C44H44O11 748.288362 NA MeJP NA NA +PJ026683 TTEMMH C29H48N8O11S2 748.2884 NA PeJP NA NA +PJ026684 SMYYW C37H44N6O9S 748.2891 NA PeJP NA NA +PJ026685 GMMHHH C30H44N12O7S2 748.2898 NA PeJP NA NA +PJ026686 SSTEYY C33H44N6O14 748.2916 NA PeJP NA NA +PJ026687 CNNNER C26H44N12O12S 748.2923 NA PeJP NA NA +PJ026688 AAMMYY C34H48N6O9S2 748.2924 NA PeJP NA NA +PJ026689 CCCKHR C27H48N12O7S3 748.2931 NA PeJP NA NA +MJ092951 Buddlenol B; 7,8-Dihydro, 9'-O-?-D-glucopyranoside C37H48O16 748.294235 NA MeJP NA NA +PJ026690 GNNQMW C31H44N10O10S 748.2963 NA PeJP NA NA +PJ026691 GDWWW C39H40N8O8 748.2969 NA PeJP NA NA +PJ026692 SNDEER C27H44N10O15 748.2988 NA PeJP NA NA +MJ092952 Milliamine C; 3-O-Deacyl-5-O-acyl isomer, de(dimethylamino), 20-Ac C43H44N2O10 748.299595 NA MeJP NA NA +PJ026693 PCNEMR C28H48N10O10S2 748.2997 NA PeJP NA NA +PJ026694 NNNNHH C28H40N14O11 748.3001 NA PeJP NA NA +PJ026695 GGGGGGNHH C28H40N14O11 748.3002 NA PeJP NA NA +PJ026696 GPTCWW C36H44N8O8S 748.3003 NA PeJP NA NA +MJ092953 Timcodar C43H45ClN4O6 748.302762 NA MeJP NA NA +PJ026697 GTQEEW C32H44N8O13 748.3028 NA PeJP NA NA +PJ026698 GPQMMW C33H48N8O8S2 748.3037 NA PeJP NA NA +PJ026699 GDHHHF C33H40N12O9 748.3042 NA PeJP NA NA +PJ026700 CFFFW C41H44N6O6S 748.3043 NA PeJP NA NA +PJ026701 VNQEEM C29H48N8O13S 748.3062 NA PeJP NA NA +PJ026702 GSPYYY C37H44N6O11 748.3068 NA PeJP NA NA +PJ026703 SLMMMH C30H52N8O8S3 748.307 NA PeJP NA NA +PJ026704 APPCCKM C30H52N8O8S3 748.3071 NA PeJP NA NA +PJ026705 GCNNRW C30H44N12O9S 748.3075 NA PeJP NA NA +PJ026706 GSSNNDR C26H44N12O14 748.31 NA PeJP NA NA +PJ026707 ATTMYY C34H48N6O11S 748.3102 NA PeJP NA NA +PJ026708 PCCDRR C27H48N12O9S2 748.3109 NA PeJP NA NA +PJ026709 TLEEEE C30H48N6O16 748.3127 NA PeJP NA NA +PJ026710 PLEEMM C31H52N6O11S2 748.3136 NA PeJP NA NA +PJ026711 ASDDRW C31H44N10O12 748.314 NA PeJP NA NA +PJ026712 GSDERW C31H44N10O12 748.3141 NA PeJP NA NA +PJ026713 GPCMRW C32H48N10O7S2 748.3149 NA PeJP NA NA +PJ026714 GQEEMR C28H48N10O12S 748.3174 NA PeJP NA NA +PJ026715 TQEWW C36H44N8O10 748.3181 NA PeJP NA NA +PJ026716 CCKKMH C29H52N10O7S3 748.3183 NA PeJP NA NA +PJ026717 GVQEMW C33H48N8O10S 748.3214 NA PeJP NA NA +PJ026718 GGALDMW C33H48N8O10S 748.3215 NA PeJP NA NA +PJ026719 AFYYW C41H44N6O8 748.3221 NA PeJP NA NA +PJ026720 SQKEEE C29H48N8O15 748.3239 NA PeJP NA NA +PJ026721 GGTKEEE C29H48N8O15 748.324 NA PeJP NA NA +PJ026722 PNKEMM C30H52N8O10S2 748.3248 NA PeJP NA NA +PJ026723 AQQEHH C30H44N12O11 748.3253 NA PeJP NA NA +PJ026724 AAMFFY C38H48N6O8S 748.3255 NA PeJP NA NA +PJ026725 TTTTYY C34H48N6O13 748.3279 NA PeJP NA NA +PJ026726 PVEEEF C34H48N6O13 748.328 NA PeJP NA NA +PJ026727 SNNQMR C27H48N12O11S 748.3286 NA PeJP NA NA +PJ026728 GDDMRR C27H48N12O11S 748.3287 NA PeJP NA NA +PJ026729 SDRWW C35H44N10O9 748.3293 NA PeJP NA NA +PJ026730 VLEEEM C31H52N6O13S 748.3313 NA PeJP NA NA +PJ026731 QEMRW C32H48N10O9S 748.3327 NA PeJP NA NA +PJ026732 ATWWW C40H44N8O7 748.3333 NA PeJP NA NA +PJ026733 STQEER C28H48N10O14 748.3352 NA PeJP NA NA +PJ026734 SPQMMR C29H52N10O9S2 748.336 NA PeJP NA NA +PJ026735 PCDKMR C29H52N10O9S2 748.3361 NA PeJP NA NA +PJ026736 GNEHHR C29H44N14O10 748.3365 NA PeJP NA NA +PJ026737 VQMWW C37H48N8O7S 748.3367 NA PeJP NA NA +PJ026738 GTKEEW C33H48N8O12 748.3392 NA PeJP NA NA +PJ026739 SCNNRR C26H48N14O10S 748.3399 NA PeJP NA NA +PJ026740 GPKMMW C34H52N8O7S2 748.3401 NA PeJP NA NA +PJ026741 AAQHHW C34H44N12O8 748.3405 NA PeJP NA NA +PJ026742 GGGVHHW C34H44N12O8 748.3406 NA PeJP NA NA +PJ026743 VNKEEM C30H52N8O12S 748.3426 NA PeJP NA NA +PJ026744 LQYYY C38H48N6O10 748.3432 NA PeJP NA NA +PJ026745 CERRW C31H48N12O8S 748.3439 NA PeJP NA NA +PJ026746 SSDERR C27H48N12O13 748.3464 NA PeJP NA NA +PJ026747 PPLEMY C35H52N6O10S 748.3466 NA PeJP NA NA +PJ026748 SPCMRR C28H52N12O8S2 748.3473 NA PeJP NA NA +PJ026749 AMRWW C36H48N10O6S 748.3479 NA PeJP NA NA +PJ026750 GTTERW C32H48N10O11 748.3504 NA PeJP NA NA +PJ026751 GGGGGGPKY C32H48N10O11 748.3505 NA PeJP NA NA +PJ026752 NHHRW C33H44N14O7 748.3518 NA PeJP NA NA +PJ026753 GKEEMR C29H52N10O11S 748.3538 NA PeJP NA NA +PJ026754 TKEWW C37H48N8O9 748.3544 NA PeJP NA NA +PJ026755 GSTLWW C37H48N8O9 748.3545 NA PeJP NA NA +MJ092954 Antibiotic PD 121222 C41H52N2O11 748.35711 NA MeJP NA NA +PJ026756 GVKEMW C34H52N8O9S 748.3578 NA PeJP NA NA +PJ026757 AAFFFF C42H48N6O7 748.3585 NA PeJP NA NA +PJ026758 SKKEEE C30H52N8O14 748.3603 NA PeJP NA NA +PJ026759 PDKKMM C31H56N8O9S2 748.3612 NA PeJP NA NA +PJ026760 GNQQFR C31H48N12O10 748.3617 NA PeJP NA NA +PJ026761 PVLEEY C35H52N6O12 748.3643 NA PeJP NA NA +PJ026762 GTEMRR C28H52N12O10S 748.365 NA PeJP NA NA +PJ026763 GGGGSKMR C28H52N12O10S 748.3651 NA PeJP NA NA +PJ026764 TTRWW C36H48N10O8 748.3657 NA PeJP NA NA +PJ026765 KEMRW C33H52N10O8S 748.3691 NA PeJP NA NA +PJ026766 LHFFW C41H48N8O6 748.3697 NA PeJP NA NA +PJ026767 SSPTTTR C29H52N10O13 748.3715 NA PeJP NA NA +PJ026768 STKEER C29H52N10O13 748.3716 NA PeJP NA NA +PJ026769 SPKMMR C30H56N10O8S2 748.3724 NA PeJP NA NA +PJ026770 GDKHHR C30H48N14O9 748.3729 NA PeJP NA NA +PJ026771 VKMWW C38H52N8O6S 748.3731 NA PeJP NA NA +PJ026772 SSLKEW C34H52N8O11 748.3756 NA PeJP NA NA +PJ026773 GPPHRW C35H48N12O7 748.3769 NA PeJP NA NA +PJ026774 SSSPLKM C31H56N8O11S 748.3789 NA PeJP NA NA +PJ026775 VDKKEM C31H56N8O11S 748.379 NA PeJP NA NA +PJ026776 LKYYY C39H52N6O9 748.3796 NA PeJP NA NA +PJ026777 TMRRW C32H52N12O7S 748.3803 NA PeJP NA NA +PJ026778 STTERR C28H52N12O12 748.3828 NA PeJP NA NA +PJ026779 PLLEMF C36H56N6O9S 748.383 NA PeJP NA NA +MJ092955 Conodiparine A; 19-Ketone C44H52N4O7 748.3836 NA MeJP NA NA +MJ092956 Conodiparine B; 19-Ketone C44H52N4O7 748.3836 NA MeJP NA NA +MJ092957 Coryzeylamine C44H52N4O7 748.3836 NA MeJP NA NA +PJ026780 GVMMRR C29H56N12O7S2 748.3837 NA PeJP NA NA +PJ026781 GSHHRR C29H48N16O8 748.3841 NA PeJP NA NA +PJ026782 LLLEMM C33H60N6O9S2 748.3864 NA PeJP NA NA +PJ026783 SSTLRW C33H52N10O10 748.3868 NA PeJP NA NA +MJ092958 Sucrose; 1',2,3',6'-Tetrakis(3-methylbutanoyl), 4'-(2-methylpropanoyl) C36H60O16 748.388135 NA MeJP NA NA +MJ092959 Sucrose; 2,3',4',6'-Tetrakis(3-methylbutanoyl), 1'-(2-methylpropanoyl) C36H60O16 748.388135 NA MeJP NA NA +MJ092960 Sucrose; 2,3',6'-Tris(3-methylbutanoyl), 1'-(2S-methylbutanoyl), 4'-(2-methylpropanoyl) C36H60O16 748.388135 NA MeJP NA NA +MJ092961 Sucrose; 2,3',6'-Tris(3-methylbutanoyl), 4'-(2S-methylbutanoyl), 1'-(2-methylpropanoyl), C36H60O16 748.388135 NA MeJP NA NA +PJ026784 SVKEMR C30H56N10O10S 748.3902 NA PeJP NA NA +PJ026785 GPVKYW C38H52N8O8 748.3908 NA PeJP NA NA +PJ026786 GGGLLFW C38H52N8O8 748.3909 NA PeJP NA NA +PJ026787 ATLKMW C35H56N8O8S 748.3942 NA PeJP NA NA +PJ026788 MMRRR C28H56N14O6S2 748.3949 NA PeJP NA NA +PJ026789 GTTTLKE C31H56N8O13 748.3967 NA PeJP NA NA +PJ026790 VLQKMM C32H60N8O8S2 748.3976 NA PeJP NA NA +PJ026791 SSPFRR C32H52N12O9 748.398 NA PeJP NA NA +PJ026792 GPTRRY C32H52N12O9 748.3981 NA PeJP NA NA +PJ026793 VLLEEF C36H56N6O11 748.4007 NA PeJP NA NA +PJ026794 SSLMRR C29H56N12O9S 748.4014 NA PeJP NA NA +PJ026795 PKRYW C37H52N10O7 748.4021 NA PeJP NA NA +MJ092962 3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside] C40H60O13 748.403392 NA MeJP NA NA +MJ092963 Cynajapogenin A; 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranoside] C40H60O13 748.403392 NA MeJP NA NA +MJ092964 Cynajapogenin A; 3-O-[?-D-Oleandropyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-digitoxopyranoside] C40H60O13 748.403392 NA MeJP NA NA +MJ092965 Pfaffic acid; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucuronopyranoside] C40H60O13 748.403392 NA MeJP NA NA +MJ092966 Shengmanol; 23-Ac, 3-O-(2-O-malonyl-?-D-xylopyranoside) C40H60O13 748.403392 NA MeJP NA NA +MJ092967 Spirostane-2,3,11-triol, 11-(Tri-O-acetyl-?-L-arabinopyranoside), 2-Ac C40H60O13 748.403392 NA MeJP NA NA +C08966 Pfaffoside A C40H60O13 748.4034 NA KEGG NA NA +PJ026796 GCKKKW C34H56N10O7S 748.4055 NA PeJP NA NA +PJ026797 SSSSLLR C30H56N10O12 748.4079 NA PeJP NA NA +PJ026798 GSSDKKK C30H56N10O12 748.408 NA PeJP NA NA +PJ026799 ALKMMR C31H60N10O7S2 748.4088 NA PeJP NA NA +PJ026800 DFRRR C31H52N14O8 748.4093 NA PeJP NA NA +2699 NA SFLLRN 748.4119 celiac toxic Inhouse_peptide NA peptide +PJ026801 TTTLKW C35H56N8O10 748.412 NA PeJP NA NA +PJ026802 TLKKEM C32H60N8O10S 748.4153 NA PeJP NA NA +C15716 Myxochromide S3 C40H56N6O8 748.416 NA KEGG NA NA +PJ026803 PPLLFY C40H56N6O8 748.416 NA PeJP NA NA +MJ092968 Daphnetoxin; 12?-(2-Heptadecenoyloxy) C44H60O10 748.418648 NA MeJP NA NA +PJ026804 GSSSKKR C29H56N12O11 748.4192 NA PeJP NA NA +PJ026805 PLLLMY C37H60N6O8S 748.4194 NA PeJP NA NA +PJ026806 SPVKRY C34H56N10O9 748.4232 NA PeJP NA NA +PJ026807 TTLKMR C31H60N10O9S 748.4266 NA PeJP NA NA +PJ026808 GVLKFW C39H56N8O7 748.4272 NA PeJP NA NA +MJ092969 Incarvillateine; 5''-Methoxy C43H60N2O9 748.429881 NA MeJP NA NA +PJ026809 PVKKMF C36H60N8O7S 748.4306 NA PeJP NA NA +2981 kinases inhibitor KKAIRRQEAVDAL 748.43195 MH2+ Inhouse_peptide NA peptide +3023 kinases inhibitor KKALRRQEAVDAL 748.43195 MH2+ Inhouse_peptide NA peptide +PJ026810 SSTTLLK C32H60N8O12 748.4331 NA PeJP NA NA +PJ026811 VLKKMM C33H64N8O7S2 748.434 NA PeJP NA NA +PJ026812 AALRRY C33H56N12O8 748.4344 NA PeJP NA NA +PJ026813 GGGKKFR C33H56N12O8 748.4345 NA PeJP NA NA +PJ026814 VLLLEY C37H60N6O10 748.4371 NA PeJP NA NA +PJ026815 SCKKKR C30H60N12O8S 748.4378 NA PeJP NA NA +PJ026816 LKFRW C38H56N10O6 748.4385 NA PeJP NA NA +MJ092970 12-Oleanene-3,16,22,23,28-pentol, 22-Tigloyl, 3-O-?-D-glucuronopyranoside C41H64O12 748.439777 NA MeJP NA NA +MJ092971 3-Hydroxy-12,18-ursadien-28-oic acid, 3-O-?-D-Xylopyranoside, 28-O-?-D-glucopyranosyl ester C41H64O12 748.439777 NA MeJP NA NA +C08943 Flaccidin B C41H64O12 748.4398 NA KEGG NA NA +PJ026817 GSTTKKK C31H60N10O11 748.4443 NA PeJP NA NA +PJ026818 VRRRY C32H56N14O7 748.4457 NA PeJP NA NA +PJ026819 VVLQKY C36H60N8O9 748.4483 NA PeJP NA NA +PJ026820 PTLKKY C36H60N8O9 748.4484 NA PeJP NA NA +PJ026821 PLLLFF C41H60N6O7 748.4524 NA PeJP NA NA +PJ026822 LLLLMF C38H64N6O7S 748.4558 NA PeJP NA NA +PJ026823 GLLKRY C35H60N10O8 748.4596 NA PeJP NA NA +PJ026824 SKKKKM C32H64N10O8S 748.463 NA PeJP NA NA +MJ092972 Antibiotic MSD A 63A C44H64N2O8 748.466267 NA MeJP NA NA +PJ026825 PVLKHR C34H60N12O7 748.4708 NA PeJP NA NA +MJ092973 Salinomycin A II C42H68O11 748.476163 NA MeJP NA NA +MJ092974 Salinomycin; 20-Ketone C42H68O11 748.476163 NA MeJP NA NA +PJ026826 VVLKKY C37H64N8O8 748.4847 NA PeJP NA NA +PJ026827 PPPVVLK C37H64N8O8 748.4848 NA PeJP NA NA +PJ026828 AKKKKF C36H64N10O7 748.496 NA PeJP NA NA +C06838 Azithromycin C38H72N2O12 748.5085 NA KEGG NA NA +MJ092975 Azithromycin C38H72N2O12 748.508525 NA MeJP NA NA +HMDB01916 Azythromycin C38H72N2O12 748.50854 http://www.hmdb.ca/metabolites/HMDB01916 HMDB NA NA +HMDB01916 Azythromycin C38H72N2O12 748.50854 HMDB01916 PFEM_hmdb_metabocards_official NA NA +HMDB01916 Azythromycin C38H72N2O12 748.508545 NA HMDB2010 NA NA +MJ092976 Narasin A; 17-Epimer, 20-deoxy C43H72O10 748.512548 NA MeJP NA NA +MJ092977 Narasin A; 20-Deoxy C43H72O10 748.512548 NA MeJP NA NA +C13883 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol C40H77O10P 748.5254 NA KEGG NA NA +HMDB10573 PG(16:0/18:1(11Z)) C40H77O10P 748.525452 NA HMDB2010 NA NA +HMDB10574 PG(16:0/18:1(9Z)) C40H77O10P 748.525452 NA HMDB2010 NA NA +HMDB10587 PG(16:1(9Z)/18:0) C40H77O10P 748.525452 NA HMDB2010 NA NA +HMDB10601 PG(18:0/16:1(9Z)) C40H77O10P 748.525452 NA HMDB2010 NA NA +HMDB10615 PG(18:1(11Z)/16:0) C40H77O10P 748.525452 NA HMDB2010 NA NA +HMDB10630 PG(18:1(9Z)/16:0) C40H77O10P 748.525452 NA HMDB2010 NA NA +C10385 Plastoquinone-9 C53H80O2 748.6158 NA KEGG NA NA +MJ092978 Plastoquinone; Plastoquinone 9 C53H80O2 748.615831 NA MeJP NA NA +MJ092979 Solanochromene C53H80O2 748.615831 NA MeJP NA NA +MetaCyc04094 plastoquinone [] C53H80O2 748.615832 112055-76-2 metacyc NA NA +MJ092980 Japindine C48H84N4S 748.641669 NA MeJP NA NA +MJ092981 12-Oleanen-3-ol, O-Docosanoyl C52H92O2 748.709732 NA MeJP NA NA +MJ092982 18-Oleanen-3-ol, O-Docosanoyl C52H92O2 748.709732 NA MeJP NA NA +MJ092983 20(29)-Lupen-3-ol, Docosanoyl C52H92O2 748.709732 NA MeJP NA NA +2591 tenecin-1 (16-32) NDAACAAHCLFRGRSGG~ 748.8704 MH2+ Inhouse_peptide NA peptide +2987 kinases inhibitor KKALRREEAVDAL 748.92395 MH2+ Inhouse_peptide NA peptide +PJ026829 SCCCCCE C23H39N7O11S5 749.1311 NA PeJP NA NA +MJ092984 Cyclocinamide A C29H33BrClN9O8 749.132399 NA MeJP NA NA +PJ026830 GCCCCMM C24H43N7O8S6 749.1498 NA PeJP NA NA +PJ026831 GCCCCDF C27H39N7O10S4 749.1642 NA PeJP NA NA +PJ026832 STCCCCM C24H43N7O10S5 749.1675 NA PeJP NA NA +PJ026833 GSCCCDY C27H39N7O12S3 749.1819 NA PeJP NA NA +PJ026834 CCCQMY C28H43N7O9S4 749.2005 NA PeJP NA NA +PJ026835 GCCCNNH C25H39N11O10S3 749.2044 NA PeJP NA NA +PJ026836 GSCCDEH C26H39N9O13S2 749.2109 NA PeJP NA NA +PJ026837 CCCCRY C27H43N9O8S4 749.2118 NA PeJP NA NA +PJ026838 GPCDDDE C27H39N7O16S 749.2174 NA PeJP NA NA +PJ026839 GSSCCMY C28H43N7O11S3 749.2183 NA PeJP NA NA +PJ026840 SCCDHW C30H39N9O10S2 749.2262 NA PeJP NA NA +PJ026841 SSSCDDH C26H39N9O15S 749.2287 NA PeJP NA NA +PJ026842 CNDMMH C27H43N9O10S3 749.2295 NA PeJP NA NA +PJ026843 GGGGPPCCC C27H43N9O10S3 749.2296 NA PeJP NA NA +PJ026844 PCDDDW C31H39N7O13S 749.2327 NA PeJP NA NA +PJ026845 CCCQFF C32H43N7O8S3 749.2336 NA PeJP NA NA +PJ026846 NDDEEE C27H39N7O18 749.2352 NA PeJP NA NA +PJ026847 SSSTCCY C28H43N7O13S2 749.236 NA PeJP NA NA +PJ026848 SPPCCDE C28H43N7O13S2 749.2361 NA PeJP NA NA +PJ026849 CCCKMY C29H47N7O8S4 749.2369 NA PeJP NA NA +PJ026850 GCNNNND C25H39N11O14S 749.2399 NA PeJP NA NA +PJ026851 CCCEHR C26H43N11O9S3 749.2408 NA PeJP NA NA +PJ026852 CNDDHF C30H39N9O12S 749.2439 NA PeJP NA NA +PJ026853 ACCMHW C31H43N9O7S3 749.2448 NA PeJP NA NA +PJ026854 DDDDDR C26H39N9O17 749.2464 NA PeJP NA NA +PJ026855 GSSCEMH C27H43N9O12S2 749.2473 NA PeJP NA NA +PJ026856 CCNHHH C28H39N13O8S2 749.2486 NA PeJP NA NA +PJ026857 GDDEEW C31H39N7O15 749.2505 NA PeJP NA NA +PJ026858 GCNMYY C32H43N7O10S2 749.2513 NA PeJP NA NA +PJ026859 GSPDDEM C28H43N7O15S 749.2538 NA PeJP NA NA +PJ026860 GPPCDMM C29H47N7O10S3 749.2547 NA PeJP NA NA +PJ026861 SNNDDW C30H39N9O14 749.2617 NA PeJP NA NA +PJ026862 SSCMHW C31H43N9O9S2 749.2625 NA PeJP NA NA +PJ026863 GGGAPCCW C31H43N9O9S2 749.2626 NA PeJP NA NA +PJ026864 SSSSDMH C27H43N9O14S 749.265 NA PeJP NA NA +PJ026865 GGNNEEM C27H43N9O14S 749.2651 NA PeJP NA NA +PJ026866 DDEWW C35H39N7O12 749.2657 NA PeJP NA NA +PJ026867 SNMMMH C28H47N9O9S3 749.2659 NA PeJP NA NA +PJ026868 SPDDMW C32H43N7O12S 749.2691 NA PeJP NA NA +PJ026869 CCCKFF C33H47N7O7S3 749.2699 NA PeJP NA NA +PJ026870 SQEEEE C28H43N7O17 749.2716 NA PeJP NA NA +PJ026871 PNEEMM C29H47N7O12S2 749.2724 NA PeJP NA NA +PJ026872 GPPCCHH C30H43N11O8S2 749.2738 NA PeJP NA NA +PJ026873 CNNDER C26H43N11O13S 749.2763 NA PeJP NA NA +PJ026874 TCCMHR C27H47N11O8S3 749.2772 NA PeJP NA NA +PJ026875 GNNEMW C31H43N9O11S 749.2803 NA PeJP NA NA +PJ026876 SDDEER C27H43N9O16 749.2828 NA PeJP NA NA +PJ026877 PCDEMR C28H47N9O11S2 749.2837 NA PeJP NA NA +PJ026878 NNNDHH C28H39N13O12 749.2841 NA PeJP NA NA +PJ026879 GGNNDHH C28H39N13O12 749.2842 NA PeJP NA NA +PJ026880 GCNFFY C36H43N7O9S 749.2843 NA PeJP NA NA +PJ026881 GTEEEW C32H43N7O14 749.2868 NA PeJP NA NA +PJ026882 GPEMMW C33H47N7O9S2 749.2877 NA PeJP NA NA +MetaCyc04095 methanofuran a [MFR;] C34H45N4O15 749.288142 NA metacyc NA NA +PJ026883 VNEEEM C29H47N7O14S 749.2902 NA PeJP NA NA +PJ026884 EEFYY C37H43N5O12 749.2908 NA PeJP NA NA +PJ026885 GSPPMMM C30H51N7O9S3 749.2911 NA PeJP NA NA +PJ026886 GCNDRW C30H43N11O10S 749.2915 NA PeJP NA NA +PJ026887 GGGCDRW C30H43N11O10S 749.2916 NA PeJP NA NA +MJ092985 Trenudine; 5'-Deoxy C36H48ClN3O12 749.292651 NA MeJP NA NA +PJ026888 GSSNDDR C26H43N11O15 749.294 NA PeJP NA NA +PJ026889 GGGSSDDR C26H43N11O15 749.2941 NA PeJP NA NA +PJ026890 GSPCCQR C27H47N11O10S2 749.2949 NA PeJP NA NA +PJ026891 CQQWW C35H43N9O8S 749.2955 NA PeJP NA NA +PJ026892 NNMWW C35H43N9O8S 749.2956 NA PeJP NA NA +PJ026893 SSNQEW C31H43N9O13 749.2981 NA PeJP NA NA +PJ026894 PCCNKW C32H47N9O8S2 749.2989 NA PeJP NA NA +PJ026895 GEEEMR C28H47N9O13S 749.3014 NA PeJP NA NA +PJ026896 GGGGDKEM C28H47N9O13S 749.3015 NA PeJP NA NA +PJ026897 TEEWW C36H43N7O11 749.3021 NA PeJP NA NA +PJ026898 TCKMMH C29H51N9O8S3 749.3023 NA PeJP NA NA +PJ026899 PMMWW C37H47N7O6S2 749.303 NA PeJP NA NA +C16524 3'-N-Debenzoyltaxol C40H47NO13 749.3047 NA KEGG NA NA +PJ026900 SPTEMW C33H47N7O11S 749.3054 NA PeJP NA NA +PJ026901 GVEEMW C33H47N7O11S 749.3055 NA PeJP NA NA +PJ026902 APCHHW C34H43N11O7S 749.3068 NA PeJP NA NA +PJ026903 SSPTTEE C29H47N7O16 749.3079 NA PeJP NA NA +PJ026904 SKEEEE C29H47N7O16 749.308 NA PeJP NA NA +PJ026905 PDKEMM C30H51N7O11S2 749.3088 NA PeJP NA NA +PJ026906 NNNNQF C30H43N11O12 749.3093 NA PeJP NA NA +PJ026907 GCMHFR C31H47N11O7S2 749.3102 NA PeJP NA NA +PJ026908 SNNEMR C27H47N11O12S 749.3127 NA PeJP NA NA +PJ026909 GSSQWW C35H43N9O10 749.3133 NA PeJP NA NA +PJ026910 EEMRW C32H47N9O10S 749.3167 NA PeJP NA NA +PJ026911 PDFWW C40H43N7O8 749.3173 NA PeJP NA NA +PJ026912 STEEER C28H47N9O15 749.3192 NA PeJP NA NA +PJ026913 SPEMMR C29H51N9O10S2 749.3201 NA PeJP NA NA +PJ026914 GDEHHR C29H43N13O11 749.3205 NA PeJP NA NA +PJ026915 GGGGGATHH C29H43N13O11 749.3206 NA PeJP NA NA +PJ026916 VEMWW C37H47N7O8S 749.3207 NA PeJP NA NA +PJ026917 SSLEEW C33H47N7O13 749.3232 NA PeJP NA NA +PJ026918 SCNDRR C26H47N13O11S 749.3239 NA PeJP NA NA +PJ026919 SPVMMW C34H51N7O8S2 749.3241 NA PeJP NA NA +PJ026920 SSPHHW C34H43N11O9 749.3245 NA PeJP NA NA +PJ026921 AAEHHW C34H43N11O9 749.3246 NA PeJP NA NA +PJ026922 VDKEEM C30H51N7O13S 749.3266 NA PeJP NA NA +PJ026923 LEYYY C38H47N5O11 749.3272 NA PeJP NA NA +PJ026924 PLQMMM C31H55N7O8S3 749.3275 NA PeJP NA NA +PJ026925 GSNMRW C31H47N11O9S 749.3279 NA PeJP NA NA +PJ026926 NHFFW C39H43N9O7 749.3286 NA PeJP NA NA +MJ092986 Trewiasine C37H52ClN3O11 749.329037 NA MeJP NA NA +PJ026927 GSSSQER C27H47N11O14 749.3304 NA PeJP NA NA +MJ092987 Milliamine C C43H47N3O9 749.33123 NA MeJP NA NA +PJ026928 GQQMMR C28H51N11O9S2 749.3313 NA PeJP NA NA +PJ026929 CQKWW C36H47N9O7S 749.3319 NA PeJP NA NA +PJ026930 GACKWW C36H47N9O7S 749.332 NA PeJP NA NA +PJ026931 SSNKEW C32H47N9O12 749.3344 NA PeJP NA NA +PJ026932 GGGSSSLW C32H47N9O12 749.3345 NA PeJP NA NA +PJ026933 PPCMFR C33H51N9O7S2 749.3353 NA PeJP NA NA +PJ026934 DHHRW C33H43N13O8 749.3358 NA PeJP NA NA +2602 tachykinin family from white shrimp Penaeus vannam ASFSPWG~ 749.337 antibacterial Inhouse_peptide NA peptide +PJ026935 SVEEMR C29H51N9O12S 749.3378 NA PeJP NA NA +PJ026936 GPVEYW C37H47N7O10 749.3385 NA PeJP NA NA +PJ026937 PCLMMR C30H55N9O7S3 749.3387 NA PeJP NA NA +PJ026938 PTCHHR C30H47N13O8S 749.3392 NA PeJP NA NA +MJ092988 Antibiotic K 502; Antibiotic K 502-3 C41H51NO12 749.341126 NA MeJP NA NA +PJ026939 ATLEMW C34H51N7O10S 749.3418 NA PeJP NA NA +PJ026940 GAPLDMF C34H51N7O10S 749.3419 NA PeJP NA NA +PJ026941 GCQMRR C27H51N13O8S2 749.3425 NA PeJP NA NA +PJ026942 GTTTLEE C30H51N7O15 749.3443 NA PeJP NA NA +MJ092989 3-(Methylthio)rifamycin; 16,17,18,19,28,29-Hexahydro C38H55NO12S 749.344496 NA MeJP NA NA +PJ026943 VLQEMM C31H55N7O10S2 749.3452 NA PeJP NA NA +PJ026944 SSSQRW C31H47N11O11 749.3457 NA PeJP NA NA +PJ026945 SNDKMR C28H51N11O11S 749.349 NA PeJP NA NA +PJ026946 GGSDKMR C28H51N11O11S 749.3491 NA PeJP NA NA +PJ026947 GSSKWW C36H47N9O9 749.3497 NA PeJP NA NA +PJ026948 GTQKMW C33H51N9O9S 749.3531 NA PeJP NA NA +PJ026949 PVYWW C41H47N7O7 749.3537 NA PeJP NA NA +PJ026950 GCCRRR C26H51N15O7S2 749.3538 NA PeJP NA NA +PJ026951 GSSDKKE C29H51N9O14 749.3556 NA PeJP NA NA +PJ026952 VNQKMM C30H55N9O9S2 749.3564 NA PeJP NA NA +PJ026953 ALEMMR C30H55N9O9S2 749.3565 NA PeJP NA NA +PJ026954 ATEHHR C30H47N13O10 749.3569 NA PeJP NA NA +PJ026955 GPLMFW C38H51N7O7S 749.3571 NA PeJP NA NA +PJ026956 TTTLEW C34H51N7O12 749.3596 NA PeJP NA NA +PJ026957 SSNMRR C27H51N13O10S 749.3603 NA PeJP NA NA +PJ026958 GLLMMW C35H55N7O7S2 749.3605 NA PeJP NA NA +PJ026959 NQFRW C35H47N11O8 749.3609 NA PeJP NA NA +PJ026960 GGGAFRW C35H47N11O8 749.361 NA PeJP NA NA +PJ026961 TLKEEM C31H55N7O12S 749.363 NA PeJP NA NA +PJ026962 PLKMMM C32H59N7O7S3 749.3638 NA PeJP NA NA +PJ026963 GTCKRW C32H51N11O8S 749.3643 NA PeJP NA NA +PJ026964 GSSSKER C28H51N11O13 749.3668 NA PeJP NA NA +PJ026965 GQKMMR C29H55N11O8S2 749.3677 NA PeJP NA NA +PJ026966 CKKWW C37H51N9O6S 749.3683 NA PeJP NA NA +PJ026967 SSDKKW C33H51N9O11 749.3708 NA PeJP NA NA +PJ026968 GGGGGGLLY C33H51N9O11 749.3709 NA PeJP NA NA +PJ026969 GPHHFR C34H47N13O7 749.3722 NA PeJP NA NA +PJ026970 TTLEMR C30H55N9O11S 749.3742 NA PeJP NA NA +PJ026971 APTLYW C38H51N7O9 749.3748 NA PeJP NA NA +PJ026972 SPVVYW C38H51N7O9 749.3749 NA PeJP NA NA +PJ026973 GLMHHR C31H51N13O7S 749.3756 NA PeJP NA NA +PJ026974 GSSSTRR C27H51N13O12 749.378 NA PeJP NA NA +PJ026975 STLLMW C35H55N7O9S 749.3782 NA PeJP NA NA +PJ026976 GCKMRR C28H55N13O7S2 749.3789 NA PeJP NA NA +PJ026977 SSTTLLE C31H55N7O14 749.3807 NA PeJP NA NA +PJ026978 VLKEMM C32H59N7O9S2 749.3816 NA PeJP NA NA +PJ026979 SSSKRW C32H51N11O10 749.3821 NA PeJP NA NA +MJ092990 Fumonisin C1; 3-Hydroxy, 4-deoxy, N-Ac C35H59NO16 749.383384 NA MeJP NA NA +MJ092991 Fumonisin C1; N-Ac C35H59NO16 749.383384 NA MeJP NA NA +PJ026980 STQKMR C29H55N11O10S 749.3854 NA PeJP NA NA +PJ026981 LEFRW C37H51N9O8 749.3861 NA PeJP NA NA +PJ026982 GTKKMW C34H55N9O8S 749.3895 NA PeJP NA NA +PJ026983 VLFWW C42H51N7O6 749.3901 NA PeJP NA NA +PJ026984 SSSTLQK C30H55N9O13 749.3919 NA PeJP NA NA +PJ026985 GSTTKKE C30H55N9O13 749.392 NA PeJP NA NA +PJ026986 SLLMMR C31H59N9O8S2 749.3928 NA PeJP NA NA +PJ026987 QQRRY C31H51N13O9 749.3933 NA PeJP NA NA +PJ026988 PTLKEY C35H55N7O11 749.396 NA PeJP NA NA +PJ026989 STCKRR C28H55N13O9S 749.3967 NA PeJP NA NA +PJ026990 NKFRW C36H51N11O7 749.3973 NA PeJP NA NA +PJ026991 SSSLLLM C32H59N7O11S 749.3993 NA PeJP NA NA +PJ026992 PPLMHR C33H55N11O7S 749.4007 NA PeJP NA NA +PJ026993 GSTTTKR C29H55N11O12 749.4032 NA PeJP NA NA +PJ026994 GKKMMR C30H59N11O7S2 749.4041 NA PeJP NA NA +PJ026995 GPQHRR C30H51N15O8 749.4045 NA PeJP NA NA +PJ026996 GGAPHRR C30H51N15O8 749.4046 NA PeJP NA NA +PJ026997 STTKKW C34H55N9O10 749.4072 NA PeJP NA NA +PJ026998 SKKKEM C31H59N9O10S 749.4106 NA PeJP NA NA +PJ026999 GVLLYW C39H55N7O8 749.4112 NA PeJP NA NA +PJ027000 GGPLLFF C39H55N7O8 749.4113 NA PeJP NA NA +PJ027001 PVLKMY C36H59N7O8S 749.4146 NA PeJP NA NA +PJ027002 TTTTTLL C32H59N7O13 749.4171 NA PeJP NA NA +PJ027003 ATQKFR C33H55N11O9 749.4184 NA PeJP NA NA +PJ027004 GVQKRY C33H55N11O9 749.4185 NA PeJP NA NA +PJ027005 STKKMR C30H59N11O9S 749.4218 NA PeJP NA NA +PJ027006 LLRYW C38H55N9O7 749.4225 NA PeJP NA NA +PJ027007 ALLMFR C35H59N9O7S 749.4259 NA PeJP NA NA +PJ027008 SSSTLKK C31H59N9O12 749.4283 NA PeJP NA NA +PJ027009 CLKKKM C32H63N9O7S2 749.4292 NA PeJP NA NA +PJ027010 QKRRY C32H55N13O8 749.4297 NA PeJP NA NA +MJ092992 Enterococcus faecalis Sex pheromone inhibitor iAM373 C36H59N7O10 749.432341 NA MeJP NA NA +PJ027011 VVLKEY C36H59N7O10 749.4324 NA PeJP NA NA +PJ027012 GPKHRR C31H55N15O7 749.4409 NA PeJP NA NA +PJ027013 SVLLRY C35H59N9O9 749.4436 NA PeJP NA NA +PJ027014 PVLKFF C40H59N7O7 749.4476 NA PeJP NA NA +PJ027015 VLLKMF C37H63N7O7S 749.451 NA PeJP NA NA +PJ027016 GVKKRY C34H59N11O8 749.4548 NA PeJP NA NA +PJ027017 GAPLKKH C34H59N11O8 749.4549 NA PeJP NA NA +MJ092993 8-Hydroxyerythromycin C37H67NO14 749.456155 NA MeJP NA NA +MJ092994 Erythromycin; 16-Hydroxy C37H67NO14 749.456155 NA MeJP NA NA +MJ092995 Erythromycin; 7-Hydroxy C37H67NO14 749.456155 NA MeJP NA NA +MJ092996 Erythromycin; N-Oxide C37H67NO14 749.456155 NA MeJP NA NA +PJ027018 KKRRY C33H59N13O7 749.4661 NA PeJP NA NA +PJ027019 TLLLKY C37H63N7O9 749.4688 NA PeJP NA NA +MJ092997 Venturicidin B; 3'-Carbamate C41H67NO11 749.471411 NA MeJP NA NA +PJ027020 ALKKKY C36H63N9O8 749.48 NA PeJP NA NA +PJ027021 VLLLHR C35H63N11O7 749.4912 NA PeJP NA NA +HMDB07918 PC(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C42H72NO8P 749.499573 NA HMDB2010 NA NA +HMDB08493 PC(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)) C42H72NO8P 749.499573 NA HMDB2010 NA NA +HMDB08913 PE(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C42H72NO8P 749.499573 NA HMDB2010 NA NA +HMDB09681 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0) C42H72NO8P 749.499573 NA HMDB2010 NA NA +PJ027022 PPVVLLL C38H67N7O8 749.5052 NA PeJP NA NA +HMDB05780 GPEtn(16:0p/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C43H76NO7P 749.53595 http://www.hmdb.ca/metabolites/HMDB05780 HMDB NA NA +HMDB05780 GPEtn(16:0p/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C43H76NO7P 749.53595 HMDB05780 PFEM_hmdb_metabocards_official NA NA +HMDB09413 PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z)) C43H76NO7P 749.53595 NA HMDB2010 NA NA +HMDB09414 PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(9Z)) C43H76NO7P 749.53595 NA HMDB2010 NA NA +HMDB09446 PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(11Z)) C43H76NO7P 749.53595 NA HMDB2010 NA NA +HMDB09447 PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z)) C43H76NO7P 749.53595 NA HMDB2010 NA NA +HMDB09478 PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:0) C43H76NO7P 749.53595 NA HMDB2010 NA NA +HMDB09642 PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-16:0) C43H76NO7P 749.53595 NA HMDB2010 NA NA +HMDB09675 PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-16:0) C43H76NO7P 749.53595 NA HMDB2010 NA NA +HMDB11359 PE(P-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C43H76NO7P 749.53595 NA HMDB2010 NA NA +HMDB11360 PE(P-16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C43H76NO7P 749.53595 NA HMDB2010 NA NA +HMDB11387 PE(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C43H76NO7P 749.53595 NA HMDB2010 NA NA +HMDB11418 PE(P-18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C43H76NO7P 749.53595 NA HMDB2010 NA NA +HMDB11419 PE(P-18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C43H76NO7P 749.53595 NA HMDB2010 NA NA +HMDB11451 PE(P-18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C43H76NO7P 749.53595 NA HMDB2010 NA NA +HMDB11452 PE(P-18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C43H76NO7P 749.53595 NA HMDB2010 NA NA +EUR1067 SM(d18:1/16:0) [M+FA-H]- C39H80N2O6P 749.580281 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1067 SM(d18:1/16:0) [M+FA-H]- C39H80N2O6P 749.580281 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1067 SM(d18:1/16:0) [M+FA-H]- C39H80N2O6P 749.580281 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1067 SM(d18:1/16:0) [M+FA-H]- C39H80N2O6P 749.580281 masses lipides attendues Inhousejuil11 NA NA +EUR1063 SM(d18:1/15:0) [M-H+acetate]- C38H78N2O6P 749.580851 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1063 SM(d18:1/15:0) [M-H+acetate]- C38H78N2O6P 749.580851 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1063 SM(d18:1/15:0) [M-H+acetate]- C38H78N2O6P 749.580851 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1063 SM(d18:1/15:0) [M-H+acetate]- C38H78N2O6P 749.580851 masses lipides attendues Inhousejuil11 NA NA +3338 human beta-casein fr, 49-61 IHPFAQTQSLVYP 749.8805 MH2+ Inhouse_peptide NA peptide +MJ092998 15-Hydroxy-3,7,11-cembratrien-18,2-olide C20H30O30 750.082189 NA MeJP NA NA +PJ027023 CCCCCCN C22H38N8O9S6 750.1086 NA PeJP NA NA +C01212 UDP-N-acetylmuramoyl-L-alanine C23H36N4O20P2 750.1398 NA KEGG NA NA +MetaCyc04096 UDP-N-acetylmuramoyl-L-alanine [] C23H36N4O20P2 750.139813 NA metacyc NA NA +PJ027024 CCCEMY C28H42N6O10S4 750.1846 NA PeJP NA NA +PJ027025 GCCCNDH C25H38N10O11S3 750.1884 NA PeJP NA NA +FL5FECGS0049 Patuletin 3-(4''-acetylrhamnoside)-7-(2''',4'''-diacetylrhamnoside) C34H38O19 750.20072 125140-19-4 knapsack NA NA +FL5FECGS0050 Patuletin 3-(4''-acetylrhamnoside)-7-(3''',4'''-diacetylrhamnoside) C34H38O19 750.20072 125175-48-6 knapsack NA NA +MJ092999 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-(4-O-Acetyl-?-L-rhamnopyranoside), 7-O-(2,4-di-O-acetyl-?-L-rhamnopyranoside) C34H38O19 750.200729 NA MeJP NA NA +MJ093000 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-(4-O-Acetyl-?-L-rhamnopyranoside), 7-O-(3,4-di-O-acetyl-?-L-rhamnopyranoside) C34H38O19 750.200729 NA MeJP NA NA +PJ027026 CCEEMH C27H42N8O11S3 750.2135 NA PeJP NA NA +PJ027027 CDDMMH C27H42N8O11S3 750.2136 NA PeJP NA NA +MJ093001 Antibiotic FR 191512 C38H38O16 750.215985 NA MeJP NA NA +MJ093002 Helisterculin B C38H38O16 750.215985 NA MeJP NA NA +MJ093003 Julichrome Q3.3 C38H38O16 750.215985 NA MeJP NA NA +MJ093004 ?-Naphthocyclinone C38H38O16 750.215985 NA MeJP NA NA +MJ093005 KS 506x C39H42O11S2 750.216853 NA MeJP NA NA +PJ027028 PCCCYY C32H42N6O9S3 750.2176 NA PeJP NA NA +PJ027029 DDDEEE C27H38N6O19 750.2192 NA PeJP NA NA +PJ027030 TCCMMY C29H46N6O9S4 750.2209 NA PeJP NA NA +PJ027031 GCNNNDD C25H38N10O15S 750.2239 NA PeJP NA NA +PJ027032 GSCCNMH C26H42N10O10S3 750.2248 NA PeJP NA NA +PJ027033 CDDDHF C30H38N8O13S 750.2279 NA PeJP NA NA +PJ027034 GSNDDDE C26H38N8O18 750.2304 NA PeJP NA NA +PJ027035 GGGSDDDE C26H38N8O18 750.2305 NA PeJP NA NA +MJ093006 [p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',3',5'-Tris(4S,5S-epoxy-2Z-hexenoyl), 6'-(2Z,4E-hexadienoyl) C42H38O13 750.231241 NA MeJP NA NA +PJ027036 GPCNDDM C27H42N8O13S2 750.2313 NA PeJP NA NA +PJ027037 CCDHHH C28H38N12O9S2 750.2326 NA PeJP NA NA +PJ027038 GCDMYY C32H42N6O11S2 750.2353 NA PeJP NA NA +PJ027039 SSSCCQH C26H42N10O12S2 750.2425 NA PeJP NA NA +PJ027040 GGGGSPCCN C26H42N10O12S2 750.2426 NA PeJP NA NA +PJ027041 SNDDDW C30H38N8O15 750.2457 NA PeJP NA NA +PJ027042 PCCNEW C31H42N8O10S2 750.2466 NA PeJP NA NA +PJ027043 NNDEEM C27H42N8O15S 750.2491 NA PeJP NA NA +PJ027044 SDMMMH C28H46N8O10S3 750.2499 NA PeJP NA NA +PJ027045 SSCEYY C32H42N6O13S 750.2531 NA PeJP NA NA +PJ027046 GCMMFY C33H46N6O8S3 750.254 NA PeJP NA NA +PJ027047 SEEEEE C28H42N6O18 750.2556 NA PeJP NA NA +PJ027048 PDEEMM C29H46N6O13S2 750.2565 NA PeJP NA NA +PJ027049 CCNQHF C30H42N10O9S2 750.2578 NA PeJP NA NA +PJ027050 CNDDER C26H42N10O14S 750.2603 NA PeJP NA NA +PJ027051 GTCCCKH C27H46N10O9S3 750.2612 NA PeJP NA NA +PJ027052 GPCCWW C35H42N8O7S2 750.2618 NA PeJP NA NA +PJ027053 GNDEMW C31H42N8O12S 750.2643 NA PeJP NA NA +PJ027054 GSSNEEE C27H42N8O17 750.2668 NA PeJP NA NA +PJ027055 GSPNDMM C28H46N8O12S2 750.2677 NA PeJP NA NA +PJ027056 NNDDHH C28H38N12O13 750.2682 NA PeJP NA NA +PJ027057 GCDFFY C36H42N6O10S 750.2683 NA PeJP NA NA +PJ027058 AMMMMH C29H50N8O7S4 750.2686 NA PeJP NA NA +PJ027059 SCMHHH C29H42N12O8S2 750.269 NA PeJP NA NA +PJ027060 PDDEEF C32H42N6O15 750.2709 NA PeJP NA NA +PJ027061 GSMMYY C33H46N6O10S2 750.2717 NA PeJP NA NA +PJ027062 VDEEEM C29H46N6O15S 750.2742 NA PeJP NA NA +PJ027063 SCNNQW C30H42N10O11S 750.2755 NA PeJP NA NA +PJ027064 GCDDRW C30H42N10O11S 750.2756 NA PeJP NA NA +PJ027065 SSSNNNE C26H42N10O16 750.278 NA PeJP NA NA +PJ027066 GSSDDDR C26H42N10O16 750.2781 NA PeJP NA NA +PJ027067 GSPCCER C27H46N10O11S2 750.2789 NA PeJP NA NA +PJ027068 GGGGGGGAMM C27H46N10O11S2 750.279 NA PeJP NA NA +PJ027069 NDMWW C35H42N8O9S 750.2796 NA PeJP NA NA +PJ027070 SSNEEW C31H42N8O14 750.2821 NA PeJP NA NA +PJ027071 SPCQMW C32H46N8O9S2 750.2829 NA PeJP NA NA +PJ027072 PCCDKW C32H46N8O9S2 750.283 NA PeJP NA NA +PJ027073 SQQEEM C28H46N8O14S 750.2854 NA PeJP NA NA +PJ027074 GGTQEEM C28H46N8O14S 750.2855 NA PeJP NA NA +PJ027075 NEYYY C36H42N6O12 750.2861 NA PeJP NA NA +PJ027076 TTMMMH C29H50N8O9S3 750.2863 NA PeJP NA NA +PJ027077 GSPCNHH C29H42N12O10S 750.2868 NA PeJP NA NA +PJ027078 GCMFFF C37H46N6O7S2 750.287 NA PeJP NA NA +MJ093007 11-Hydroxymeliacarpin; 1-Cinnamoyl, 3-(2-methylpropenoyl) C40H46O14 750.288756 NA MeJP NA NA +MJ093008 Cerberalignan A C40H46O14 750.288756 NA MeJP NA NA +MJ093009 Cerberalignan B C40H46O14 750.288756 NA MeJP NA NA +MJ093010 Cerberalignan C C40H46O14 750.288756 NA MeJP NA NA +MJ093011 Cerberalignan K C40H46O14 750.288756 NA MeJP NA NA +MJ093012 Cerberalignan L C40H46O14 750.288756 NA MeJP NA NA +MJ093013 Lappaol H C40H46O14 750.288756 NA MeJP NA NA +PJ027079 SSTMYY C33H46N6O12S 750.2895 NA PeJP NA NA +PJ027080 CNNNMR C26H46N12O10S2 750.2902 NA PeJP NA NA +PJ027081 GSSSNNW C30H42N10O13 750.2933 NA PeJP NA NA +PJ027082 SPCCRW C31H46N10O8S2 750.2942 NA PeJP NA NA +PJ027083 ACWWW C39H42N8O6S 750.2948 NA PeJP NA NA +PJ027084 SNDEMR C27H46N10O13S 750.2967 NA PeJP NA NA +PJ027085 GSSEWW C35H42N8O11 750.2973 NA PeJP NA NA +PJ027086 PCNMMR C28H50N10O8S3 750.2976 NA PeJP NA NA +PJ027087 MMHFW C36H46N8O6S2 750.2982 NA PeJP NA NA +PJ027088 GTQEMW C32H46N8O11S 750.3007 NA PeJP NA NA +PJ027089 GYYYW C40H42N6O9 750.3013 NA PeJP NA NA +PJ027090 ACHHHF C33H42N12O7S 750.3021 NA PeJP NA NA +PJ027091 GSSDKEE C28H46N8O16 750.3032 NA PeJP NA NA +PJ027092 VNQEMM C29H50N8O11S2 750.3041 NA PeJP NA NA +PJ027093 SNQEHH C29H42N12O12 750.3045 NA PeJP NA NA +PJ027094 GGSQEHH C29H42N12O12 750.3046 NA PeJP NA NA +PJ027095 QMFYY C37H46N6O9S 750.3047 NA PeJP NA NA +PJ027096 PVDEEY C33H46N6O14 750.3072 NA PeJP NA NA +PJ027097 SCDDRR C26H46N12O12S 750.3079 NA PeJP NA NA +PJ027098 PPEMMF C34H50N6O9S2 750.3081 NA PeJP NA NA +PJ027099 GNNNFW C34H42N10O10 750.3086 NA PeJP NA NA +PJ027100 TLEEEM C30H50N6O14S 750.3106 NA PeJP NA NA +PJ027101 PLEMMM C31H54N6O9S3 750.3115 NA PeJP NA NA +PJ027102 GSDMRW C31H46N10O10S 750.3119 NA PeJP NA NA +PJ027103 GGGGSCKW C31H46N10O10S 750.312 NA PeJP NA NA +PJ027104 SSWWW C39H42N8O8 750.3126 NA PeJP NA NA +PJ027105 GSSSEER C27H46N10O15 750.3144 NA PeJP NA NA +PJ027106 GGGGSSSDK C27H46N10O15 750.3145 NA PeJP NA NA +PJ027107 GQEMMR C28H50N10O10S2 750.3153 NA PeJP NA NA +PJ027108 TQMWW C36H46N8O8S 750.3159 NA PeJP NA NA +PJ027109 GATMWW C36H46N8O8S 750.316 NA PeJP NA NA +PJ027110 STTQEW C32H46N8O13 750.3184 NA PeJP NA NA +PJ027111 SSDKEW C32H46N8O13 750.3185 NA PeJP NA NA +PJ027112 GVQMMW C33H50N8O8S2 750.3193 NA PeJP NA NA +PJ027113 GSQHHW C33H42N12O9 750.3198 NA PeJP NA NA +PJ027114 SQKEEM C29H50N8O13S 750.3218 NA PeJP NA NA +MJ093014 Amonabactin P 750 C37H46N6O11 750.322456 NA MeJP NA NA +PJ027115 DKYYY C37H46N6O11 750.3225 NA PeJP NA NA +PJ027116 PNKMMM C30H54N8O8S3 750.3227 NA PeJP NA NA +PJ027117 AQQMHH C30H46N12O9S 750.3232 NA PeJP NA NA +MJ093015 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,8-Dibenzoyl, 2-hexanoyl, 6,9,14-tri-Ac C41H50O13 750.325141 NA MeJP NA NA +PJ027118 SSSSNNR C26H46N12O14 750.3257 NA PeJP NA NA +PJ027119 PVEEMF C34H50N6O11S 750.3259 NA PeJP NA NA +PJ027120 CCNQKR C27H50N12O9S2 750.3265 NA PeJP NA NA +PJ027121 GCEMRR C27H50N12O9S2 750.3266 NA PeJP NA NA +PJ027122 TCRWW C35H46N10O7S 750.3272 NA PeJP NA NA +PJ027123 VLEEMM C31H54N6O11S2 750.3292 NA PeJP NA NA +PJ027124 SSSERW C31H46N10O12 750.3297 NA PeJP NA NA +PJ027125 QMMRW C32H50N10O7S2 750.3306 NA PeJP NA NA +PJ027126 SPHHHH C32H42N14O8 750.331 NA PeJP NA NA +PJ027127 STQEMR C28H50N10O12S 750.3331 NA PeJP NA NA +PJ027128 GTTTWW C36H46N8O10 750.3337 NA PeJP NA NA +PJ027129 GNMHHR C29H46N14O8S 750.3344 NA PeJP NA NA +PJ027130 GTKEMW C33H50N8O10S 750.3371 NA PeJP NA NA +PJ027131 QFFFY C41H46N6O8 750.3377 NA PeJP NA NA +PJ027132 GSTTKEE C29H50N8O15 750.3396 NA PeJP NA NA +PJ027133 VNKEMM C30H54N8O10S2 750.3405 NA PeJP NA NA +PJ027134 GNNQRY C30H46N12O11 750.3409 NA PeJP NA NA +PJ027135 GGGGGGARY C30H46N12O11 750.341 NA PeJP NA NA +PJ027136 KMFYY C38H50N6O8S 750.3411 NA PeJP NA NA +PJ027137 CMRRW C31H50N12O6S2 750.3418 NA PeJP NA NA +PJ027138 PTLEEY C34H50N6O13 750.3436 NA PeJP NA NA +PJ027139 SSDMRR C27H50N12O11S 750.3443 NA PeJP NA NA +PJ027140 PPLMMY C35H54N6O8S2 750.3445 NA PeJP NA NA +PJ027141 NEFRW C35H46N10O9 750.3449 NA PeJP NA NA +PJ027142 GGEFRW C35H46N10O9 750.345 NA PeJP NA NA +2863 NA YPFVEP 750.345 antibacterial Inhouse_peptide NA peptide +3647 stimulating g-interferon production peptide GSFRPSQQNPQAQG 750.34545 MH2+ Inhouse_peptide NA peptide +PJ027143 GTTMRW C32H50N10O9S 750.3483 NA PeJP NA NA +PJ027144 VNFWW C40H46N8O7 750.349 NA PeJP NA NA +PJ027145 GSTTTER C28H50N10O14 750.3508 NA PeJP NA NA +PJ027146 GKEMMR C29H54N10O9S2 750.3517 NA PeJP NA NA +PJ027147 SSQHHR C29H46N14O10 750.3522 NA PeJP NA NA +PJ027148 TKMWW C37H50N8O7S 750.3523 NA PeJP NA NA +PJ027149 GLMHFF C37H50N8O7S 750.3524 NA PeJP NA NA +PJ027150 STTKEW C33H50N8O12 750.3548 NA PeJP NA NA +PJ027151 GGVVQEY C33H50N8O12 750.3549 NA PeJP NA NA +PJ027152 GVKMMW C34H54N8O7S2 750.3557 NA PeJP NA NA +PJ027153 GSKHHW C34H46N12O8 750.3562 NA PeJP NA NA +PJ027154 SKKEEM C30H54N8O12S 750.3582 NA PeJP NA NA +PJ027155 PPVEFY C38H50N6O10 750.3589 NA PeJP NA NA +PJ027156 GPCRRY C31H50N12O8S 750.3596 NA PeJP NA NA +PJ027157 GFRWW C39H46N10O6 750.3602 NA PeJP NA NA +PJ027158 PVLEMY C35H54N6O10S 750.3622 NA PeJP NA NA +PJ027159 GTMMRR C28H54N12O8S2 750.3629 NA PeJP NA NA +PJ027160 STTTRW C32H50N10O11 750.3661 NA PeJP NA NA +PJ027161 KMMRW C33H54N10O6S2 750.367 NA PeJP NA NA +PJ027162 ALHHHH C33H46N14O7 750.3674 NA PeJP NA NA +PJ027163 STKEMR C29H54N10O11S 750.3694 NA PeJP NA NA +PJ027164 TTDKMR C29H54N10O11S 750.3695 NA PeJP NA NA +PJ027165 GPTKYW C37H50N8O9 750.3701 NA PeJP NA NA +PJ027166 ACKHHR C30H50N14O7S 750.3708 NA PeJP NA NA +PJ027167 SSLKMW C34H54N8O9S 750.3735 NA PeJP NA NA +PJ027168 KFFFY C42H50N6O7 750.3741 NA PeJP NA NA +PJ027169 SSSTLKE C30H54N8O14 750.376 NA PeJP NA NA +PJ027170 TLQKMM C31H58N8O9S2 750.3768 NA PeJP NA NA +PJ027171 VDKKMM C31H58N8O9S2 750.3769 NA PeJP NA NA +PJ027172 QERRY C31H50N12O10 750.3773 NA PeJP NA NA +PJ027173 PPLMFF C39H54N6O7S 750.3775 NA PeJP NA NA +PJ027174 VVLEEY C35H54N6O12 750.38 NA PeJP NA NA +PJ027175 STTMRR C28H54N12O10S 750.3807 NA PeJP NA NA +PJ027176 PLLMMF C36H58N6O7S2 750.3809 NA PeJP NA NA +PJ027177 VQRYW C36H50N10O8 750.3813 NA PeJP NA NA +PJ027178 GGPVVHW C36H50N10O8 750.3814 NA PeJP NA NA +PJ027179 LLLMMM C33H62N6O7S3 750.3842 NA PeJP NA NA +PJ027180 GPKMRY C33H54N10O8S 750.3847 NA PeJP NA NA +PJ027181 SSSTTLR C29H54N10O13 750.3872 NA PeJP NA NA +PJ027182 SVKMMR C30H58N10O8S2 750.3881 NA PeJP NA NA +PJ027183 GPEHRR C30H50N14O9 750.3886 NA PeJP NA NA +PJ027184 SPKKEY C34H54N8O11 750.3912 NA PeJP NA NA +PJ027185 AAAPPPVE C34H54N8O11 750.3913 NA PeJP NA NA +PJ027186 ARRYW C35H50N12O7 750.3926 NA PeJP NA NA +MJ093016 N-[1-[[4-[[[[4-[(Dimethylamino)methyl]cyclohexyl]methyl]amino]iminomethyl]phenyl]methyl]-2-oxo-2-(1-pyrrolidinyl)ethyl]-?-[(2-naphthalenylsulfonyl)amino]benzenepropanamide C43H54N6O4S 750.392724 NA MeJP NA NA +PJ027187 GTTTLKM C31H58N8O11S 750.3946 NA PeJP NA NA +PJ027188 PPVLYY C39H54N6O9 750.3953 NA PeJP NA NA +PJ027189 AAMFRR C32H54N12O7S 750.396 NA PeJP NA NA +PJ027190 VLLEMF C36H58N6O9S 750.3986 NA PeJP NA NA +MJ093017 Cabufiline C44H54N4O7 750.39925 NA MeJP NA NA +MJ093018 Conodiparine A C44H54N4O7 750.39925 NA MeJP NA NA +MJ093019 Conodiparine B C44H54N4O7 750.39925 NA MeJP NA NA +MJ093020 Leurosine; 16'-Demethoxycarbonyl C44H54N4O7 750.39925 NA MeJP NA NA +MJ093021 Leurosine; Deacetoxy C44H54N4O7 750.39925 NA MeJP NA NA +MJ093022 Peceylanine C44H54N4O7 750.39925 NA MeJP NA NA +PJ027191 GVKERY C33H54N10O10 750.4025 NA PeJP NA NA +PJ027192 PHRRW C34H50N14O6 750.4038 NA PeJP NA NA +PJ027193 GSTCKKK C30H58N10O10S 750.4058 NA PeJP NA NA +PJ027194 AALKYW C38H54N8O8 750.4065 NA PeJP NA NA +PJ027195 PCLKKY C35H58N8O8S 750.4099 NA PeJP NA NA +PJ027196 STTTTLK C31H58N8O13 750.4123 NA PeJP NA NA +PJ027197 TLKKMM C32H62N8O8S2 750.4132 NA PeJP NA NA +PJ027198 KERRY C32H54N12O9 750.4137 NA PeJP NA NA +PJ027199 TLLLEY C36H58N6O11 750.4164 NA PeJP NA NA +PJ027200 VKRYW C37H54N10O7 750.4177 NA PeJP NA NA +MJ093023 3,23-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside] C40H62O13 750.419042 NA MeJP NA NA +PJ027201 GLKMFR C34H58N10O7S 750.4211 NA PeJP NA NA +PJ027202 SSSSKKK C30H58N10O12 750.4236 NA PeJP NA NA +PJ027203 TRRRY C31H54N14O8 750.4249 NA PeJP NA NA +PJ027204 ALKKEY C35H58N8O10 750.4276 NA PeJP NA NA +PJ027205 PVLLFY C40H58N6O8 750.4316 NA PeJP NA NA +MJ093024 Exsertifolin A C44H62O10 750.434298 NA MeJP NA NA +PJ027206 VLLLMY C37H62N6O8S 750.435 NA PeJP NA NA +PJ027207 ANKKKY C34H58N10O9 750.4388 NA PeJP NA NA +PJ027208 ATLKRY C34H58N10O9 750.4389 NA PeJP NA NA +PJ027209 VVKKMF C36H62N8O7S 750.4463 NA PeJP NA NA +PJ027210 PTLKHR C33H58N12O8 750.4501 NA PeJP NA NA +C08954 alpha-Hederin C41H66O12 750.4554 NA KEGG NA NA +MJ093025 11,13(18)-Oleanadiene-1,3,22-triol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093026 20(29)-Lupene-3,23,28-triol, 28-Carboxylic acid, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093027 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093028 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093029 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093030 3-Hydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-D-glucopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093031 3-Hydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093032 3-Hydroxy-12-ursen-28-oic acid, 3-O-[L-Arabinopyranosyl-(1?4)-?-D-glucopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093033 3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093034 3-Hydroxy-27-nor-12-oleanen-28-oic acid, 3-O-(6-Deoxy-?-D-glucopyranoside), 28-O-?-D-glucopyranosyl ester C41H66O12 750.455427 NA MeJP NA NA +MJ093035 3-Hydroxy-27-nor-13-oleanen-28-oic acid, 3-O-(6-Deoxy-?-D-glucopyranoside), 28-O-?-D-glucopyranosyl ester C41H66O12 750.455427 NA MeJP NA NA +MJ093036 3-Hydroxy-27-nor-13-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-fucopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093037 3-Hydroxy-27-nor-13-oleanen-28-oic acid, 3-O-?-L-Rhamnopyranoside, 28-O-?-D-glucopyranosyl ester C41H66O12 750.455427 NA MeJP NA NA +MJ093038 3-Hydroxylanosta-8,24-dien-30-oic acid, 3-O-[?-D-Galactopyranosyl-(1?2)-?-L-arabinopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093039 Anemoclemoside A; 2'-O-?-L-Rhamnopyranoside C41H66O12 750.455427 NA MeJP NA NA +MJ093040 Cephalaroside C C41H66O12 750.455427 NA MeJP NA NA +MJ093041 Hederagenin 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093042 Hederagenin 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-xylopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093043 Holost-9(11)-ene-3,12-diol, 3-O-[6-Deoxy-?-D-glucopyranosyl-(1?2)-?-D-xylopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093044 Monactin C41H66O12 750.455427 NA MeJP NA NA +MJ093045 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-xylopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093046 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093047 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093048 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093049 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-arabinopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093050 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Arabinofuranosyl-(1?4)-?-D-glucopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093051 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-galactopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093052 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-?-D-glucopyranoside] C41H66O12 750.455427 NA MeJP NA NA +MJ093053 Oleanolic acid bisdesmosides; Diglycosides, 3-O-?-D-Glucopyranoside, 28-O-?-D-xylopyranosyl ester C41H66O12 750.455427 NA MeJP NA NA +MJ093054 Oleanolic acid bisdesmosides; Diglycosides, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranosyl ester C41H66O12 750.455427 NA MeJP NA NA +PJ027211 GLLHRR C32H58N14O7 750.4613 NA PeJP NA NA +PJ027212 SLLKKY C36H62N8O9 750.464 NA PeJP NA NA +PJ027213 VLLLFF C41H62N6O7 750.468 NA PeJP NA NA +PJ027214 GKKKKY C35H62N10O8 750.4752 NA PeJP NA NA +PJ027215 GPPVLLR C35H62N10O8 750.4753 NA PeJP NA NA +PJ027216 PPLLRR C34H62N12O7 750.4865 NA PeJP NA NA +MJ093055 2-Polyprenyl-1,4-benzenediol; 2-Octaprenyl-1,4-benzenediol, 37-Hydroxy, 4-sulfate C46H70O6S 750.48931 NA MeJP NA NA +C15690 Salinomycin C42H70O11 750.4918 NA KEGG NA NA +MJ093056 20(29)-Lupene-3,28-diol, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C42H70O11 750.491813 NA MeJP NA NA +MJ093057 Dunaimycin D2S; 19-Deoxy, 18,19-epoxide, 8-deglycosyloxy C42H70O11 750.491813 NA MeJP NA NA +MJ093058 Salinomycin C42H70O11 750.491813 NA MeJP NA NA +PJ027217 APPLLLK C37H66N8O8 750.5004 NA PeJP NA NA +MJ093059 1,26-Hexacosanediol dicaffeate; 3,3'-Di-Me ether C46H70O8 750.507069 NA MeJP NA NA +PJ027218 LLLKKH C36H66N10O7 750.5116 NA PeJP NA NA +MJ093060 1,2-Di-O-acylglycerols; Glycerol 1-(9Z,12Z,15Z-octadecatrienoate) 2-(9E-hexadecenoate), 3-O-?-D-Galactopyranoside (2S-) C43H74O10 750.528198 NA MeJP NA NA +MetaCyc04097 1-18:2-2-16:2-monogalactosyldiacylglycerol [] C43H74O10 750.528199 NA metacyc NA NA +HMDB10572 PG(16:0/18:0) C40H79O10P 750.541077 NA HMDB2010 NA NA +HMDB10600 PG(18:0/16:0) C40H79O10P 750.541077 NA HMDB2010 NA NA +EUR1080 SM(d18:1/18:1) [M+Na]+ C41H81N2O6P 750.565172 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1080 SM(d18:1/18:1) [M+Na]+ C41H81N2O6P 750.565172 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1080 SM(d18:1/18:1) [M+Na]+ C41H81N2O6P 750.565172 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1080 SM(d18:1/18:1) [M+Na]+ C41H81N2O6P 750.565172 masses lipides attendues Inhousejuil11 NA NA +MetaCyc04098 nonaprenyl-4-hydroxybenzoate [4-hydroxybenzoic acid;3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl ester;] C52H78O3 750.595096 NA metacyc NA NA +C03885 3-Nonaprenyl-4-hydroxybenzoate C52H78O3 750.5951 NA KEGG NA NA +C03886 Nucleoside 5'-phosphoacylate C6H9O8PR2 750.5951 NA KEGG NA NA +HMDB07790 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/0:0) C49H82O5 750.616211 NA HMDB2010 NA NA +HMDB07846 DG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C49H82O5 750.616211 NA HMDB2010 NA NA +MJ093061 Solanochromene; 3,4-Dihydro C53H82O2 750.631481 NA MeJP NA NA +C16695 Plastoquinol-9 C53H82O2 750.6315 NA KEGG NA NA +MetaCyc04099 undecaprenyl group [] C55H90 750.704253 NA metacyc NA NA +5457 aurein 2,1,1 LDIVKKVVGAFGSLG 750.9354 MH2+ Inhouse_peptide NA peptide +PJ027219 CCCCCCD C22H37N7O10S6 751.0926 NA PeJP NA NA +PJ027220 SCCCCCM C23H41N7O9S6 751.129 NA PeJP NA NA +PJ027221 ACCCCCF C27H41N7O8S5 751.162 NA PeJP NA NA +PJ027222 GCCCDDH C25H37N9O12S3 751.1724 NA PeJP NA NA +PJ027223 GTCCCCY C27H41N7O10S4 751.1798 NA PeJP NA NA +PJ027224 SPCCCCH C26H41N9O9S4 751.191 NA PeJP NA NA +PJ027225 SSSCCCY C27H41N7O12S3 751.1976 NA PeJP NA NA +PJ027226 GCNNDDD C25H37N9O16S 751.2079 NA PeJP NA NA +PJ027227 GGGGGCDDD C25H37N9O16S 751.208 NA PeJP NA NA +PJ027228 GSCCDMH C26H41N9O11S3 751.2088 NA PeJP NA NA +PJ027229 CCCNFY C31H41N7O9S3 751.2128 NA PeJP NA NA +PJ027230 GSDDDDE C26H37N7O19 751.2145 NA PeJP NA NA +PJ027231 GPCDDDM C27H41N7O14S2 751.2153 NA PeJP NA NA +PJ027232 TCCCHW C30H41N9O8S3 751.2241 NA PeJP NA NA +PJ027233 SSSCCEH C26H41N9O13S2 751.2266 NA PeJP NA NA +PJ027234 CCQMMH C27H45N9O8S4 751.2274 NA PeJP NA NA +PJ027235 SDDDDW C30H37N7O16 751.2297 NA PeJP NA NA +PJ027236 PCCDEW C31H41N7O11S2 751.2306 NA PeJP NA NA +PJ027237 NDDEEM C27H41N7O16S 751.2331 NA PeJP NA NA +PJ027238 SPPCCDM C28H45N7O11S3 751.2339 NA PeJP NA NA +PJ027239 GCCNNNQ C25H41N11O12S2 751.2378 NA PeJP NA NA +PJ027240 CCCMHR C26H45N11O7S4 751.2387 NA PeJP NA NA +PJ027241 CCNEHF C30H41N9O10S2 751.2418 NA PeJP NA NA +PJ027242 CDDDER C26H41N9O15S 751.2443 NA PeJP NA NA +PJ027243 GSSCMMH C27H45N9O10S3 751.2452 NA PeJP NA NA +PJ027244 GDDEMW C31H41N7O13S 751.2483 NA PeJP NA NA +PJ027245 GSSDEEE C27H41N7O18 751.2508 NA PeJP NA NA +PJ027246 GSPDDMM C28H45N7O13S2 751.2517 NA PeJP NA NA +PJ027247 NDDDHH C28H37N11O14 751.2522 NA PeJP NA NA +PJ027248 APPCCMM C29H49N7O8S4 751.2526 NA PeJP NA NA +PJ027249 SSCNNNN C25H41N11O14S 751.2555 NA PeJP NA NA +PJ027250 GGGGSSCNN C25H41N11O14S 751.2556 NA PeJP NA NA +PJ027251 GPCCCNR C26H45N11O9S3 751.2564 NA PeJP NA NA +PJ027252 GCCHFW C34H41N9O7S2 751.2571 NA PeJP NA NA +PJ027253 SCNNEW C30H41N9O12S 751.2596 NA PeJP NA NA +MJ093062 Neocoprogen I C31H47FeN6O12 751.260138 NA MeJP NA NA +PJ027254 SSSNNDE C26H41N9O17 751.2621 NA PeJP NA NA +PJ027255 SSSTCMH C27H45N9O12S2 751.2629 NA PeJP NA NA +PJ027256 GGGGNEMM C27H45N9O12S2 751.263 NA PeJP NA NA +PJ027257 DDMWW C35H41N7O10S 751.2636 NA PeJP NA NA +PJ027258 CCKMMH C28H49N9O7S4 751.2638 NA PeJP NA NA +PJ027259 SSDEEW C31H41N7O15 751.2661 NA PeJP NA NA +PJ027260 SPCEMW C32H45N7O10S2 751.267 NA PeJP NA NA +PJ027261 SQEEEM C28H45N7O15S 751.2695 NA PeJP NA NA +PJ027262 DEYYY C36H41N5O13 751.2701 NA PeJP NA NA +PJ027263 PNEMMM C29H49N7O10S3 751.2703 NA PeJP NA NA +PJ027264 GSPCDHH C29H41N11O11S 751.2708 NA PeJP NA NA +PJ027265 CNNDMR C26H45N11O11S2 751.2742 NA PeJP NA NA +PJ027266 GSCNWW C34H41N9O9S 751.2748 NA PeJP NA NA +PJ027267 GSSSNDW C30H41N9O14 751.2773 NA PeJP NA NA +PJ027268 GGGGGGDEF C30H41N9O14 751.2774 NA PeJP NA NA +PJ027269 GNNMMW C31H45N9O9S2 751.2782 NA PeJP NA NA +PJ027270 SDDEMR C27H45N9O14S 751.2807 NA PeJP NA NA +PJ027271 GPDDYW C35H41N7O12 751.2814 NA PeJP NA NA +PJ027272 PCDMMR C28H49N9O9S3 751.2816 NA PeJP NA NA +PJ027273 CNNQHH C28H41N13O10S 751.282 NA PeJP NA NA +PJ027274 GGGGCQHH C28H41N13O10S 751.2821 NA PeJP NA NA +PJ027275 PPCCFW C36H45N7O7S2 751.2822 NA PeJP NA NA +PJ027276 GTEEMW C32H45N7O12S 751.2847 NA PeJP NA NA +PJ027277 GPMMMW C33H49N7O7S3 751.2856 NA PeJP NA NA +PJ027278 GSTTEEE C28H45N7O17 751.2872 NA PeJP NA NA +PJ027279 VNEEMM C29H49N7O12S2 751.2881 NA PeJP NA NA +PJ027280 NNNNNY C29H41N11O13 751.2885 NA PeJP NA NA +PJ027281 GGNNNNY C29H41N11O13 751.2886 NA PeJP NA NA +PJ027282 EMFYY C37H45N5O10S 751.2887 NA PeJP NA NA +PJ027283 GCCQRW C30H45N11O8S2 751.2894 NA PeJP NA NA +PJ027284 GSSCNER C26H45N11O13S 751.2919 NA PeJP NA NA +PJ027285 GNNDFW C34H41N9O11 751.2926 NA PeJP NA NA +PJ027286 SSNQMW C31H45N9O11S 751.2959 NA PeJP NA NA +PJ027287 GGGGSTMW C31H45N9O11S 751.296 NA PeJP NA NA +PJ027288 SSSSQQE C27H45N9O16 751.2984 NA PeJP NA NA +PJ027289 GGSSSTQE C27H45N9O16 751.2985 NA PeJP NA NA +PJ027290 GEEMMR C28H49N9O11S2 751.2993 NA PeJP NA NA +PJ027291 GSSNNHH C28H41N13O12 751.2998 NA PeJP NA NA +PJ027292 TEMWW C36H45N7O9S 751.3 NA PeJP NA NA +PJ027293 PCCHHR C29H45N13O7S2 751.3007 NA PeJP NA NA +PJ027294 STTEEW C32H45N7O14 751.3025 NA PeJP NA NA +PJ027295 AVDMMW C33H49N7O9S2 751.3033 NA PeJP NA NA +PJ027296 GVEMMW C33H49N7O9S2 751.3034 NA PeJP NA NA +PJ027297 GSEHHW C33H41N11O10 751.3038 NA PeJP NA NA +PJ027298 AATTEEM C29H49N7O14S 751.3058 NA PeJP NA NA +PJ027299 SKEEEM C29H49N7O14S 751.3059 NA PeJP NA NA +PJ027300 PDKMMM C30H53N7O9S3 751.3067 NA PeJP NA NA +PJ027301 SSCNRW C30H45N11O10S 751.3072 NA PeJP NA NA +PJ027302 SSSSNDR C26H45N11O15 751.3097 NA PeJP NA NA +PJ027303 SCQQMR C27H49N11O10S2 751.3105 NA PeJP NA NA +PJ027304 SNNMMR C27H49N11O10S2 751.3106 NA PeJP NA NA +PJ027305 GNMHFF C35H45N9O8S 751.3112 NA PeJP NA NA +PJ027306 GSSSTQW C31H45N9O13 751.3137 NA PeJP NA NA +PJ027307 EMMRW C32H49N9O8S2 751.3146 NA PeJP NA NA +PJ027308 STEEMR C28H49N9O13S 751.3171 NA PeJP NA NA +PJ027309 GPTEYW C36H45N7O11 751.3177 NA PeJP NA NA +PJ027310 SPMMMR C29H53N9O8S3 751.3179 NA PeJP NA NA +PJ027311 APCCCKK C29H53N9O8S3 751.318 NA PeJP NA NA +PJ027312 GDMHHR C29H45N13O9S 751.3184 NA PeJP NA NA +PJ027313 VMMWW C37H49N7O6S2 751.3186 NA PeJP NA NA +PJ027314 SHHWW C37H41N11O7 751.3191 NA PeJP NA NA +MJ093063 Antibiotic TMF 518D C40H49NO13 751.32039 NA MeJP NA NA +PJ027315 SSLEMW C33H49N7O11S 751.3211 NA PeJP NA NA +PJ027316 PFYYY C41H45N5O9 751.3217 NA PeJP NA NA +PJ027317 SCCQRR C26H49N13O9S2 751.3218 NA PeJP NA NA +PJ027318 AAMHHW C34H45N11O7S 751.3224 NA PeJP NA NA +PJ027319 GCLHHW C34H45N11O7S 751.3225 NA PeJP NA NA +PJ027320 SSSTLEE C29H49N7O16 751.3236 NA PeJP NA NA +PJ027321 VDKEMM C30H53N7O11S2 751.3245 NA PeJP NA NA +PJ027322 GNNERY C30H45N11O12 751.3249 NA PeJP NA NA +PJ027323 GGGNERY C30H45N11O12 751.325 NA PeJP NA NA +PJ027324 LMYYY C38H49N5O9S 751.3251 NA PeJP NA NA +PJ027325 GCCKRW C31H49N11O7S2 751.3258 NA PeJP NA NA +PJ027326 GQHHHH C31H41N15O8 751.3263 NA PeJP NA NA +PJ027327 GSSSQMR C27H49N11O12S 751.3283 NA PeJP NA NA +PJ027328 QQQYW C35H45N9O10 751.329 NA PeJP NA NA +PJ027329 SSNKMW C32H49N9O10S 751.3323 NA PeJP NA NA +PJ027330 GGGAPCKY C32H49N9O10S 751.3324 NA PeJP NA NA +PJ027331 PTYWW C40H45N7O8 751.333 NA PeJP NA NA +PJ027332 SSSSQKE C28H49N9O15 751.3348 NA PeJP NA NA +PJ027333 SVEMMR C29H53N9O10S2 751.3357 NA PeJP NA NA +PJ027334 SSEHHR C29H45N13O11 751.3362 NA PeJP NA NA +PJ027335 GPVMYW C37H49N7O8S 751.3364 NA PeJP NA NA +PJ027336 SSPPTTY C33H49N7O13 751.3388 NA PeJP NA NA +PJ027337 SPKEEY C33H49N7O13 751.3389 NA PeJP NA NA +PJ027338 GSSSCRR C26H49N13O11S 751.3395 NA PeJP NA NA +PJ027339 ATLMMW C34H53N7O8S2 751.3397 NA PeJP NA NA +PJ027340 NNRYW C34H45N11O9 751.3402 NA PeJP NA NA +PJ027341 GTTTLEM C30H53N7O13S 751.3422 NA PeJP NA NA +PJ027342 VLQMMM C31H57N7O8S3 751.3431 NA PeJP NA NA +PJ027343 GNQMFR C31H49N11O9S 751.3436 NA PeJP NA NA +PJ027344 SSSSTQR C27H49N11O14 751.3461 NA PeJP NA NA +7728 NA PGANSGGMWFGPRLG 751.34665 MH2+ Inhouse_peptide NA peptide +PJ027345 SCQKMR C28H53N11O9S2 751.3469 NA PeJP NA NA +PJ027346 GGTCKMR C28H53N11O9S2 751.347 NA PeJP NA NA +PJ027347 PMRYW C36H49N9O7S 751.3476 NA PeJP NA NA +PJ027348 GSSSTKW C32H49N9O12 751.3501 NA PeJP NA NA +PJ027349 GCKKMW C33H53N9O7S2 751.351 NA PeJP NA NA +PJ027350 PPQHHH C33H45N13O8 751.3514 NA PeJP NA NA +PJ027351 GSSDKKM C29H53N9O12S 751.3535 NA PeJP NA NA +PJ027352 AALEYW C37H49N7O10 751.3541 NA PeJP NA NA +PJ027353 ALMMMR C30H57N9O7S3 751.3543 NA PeJP NA NA +PJ027354 GCNFRR C30H49N13O8S 751.3548 NA PeJP NA NA +PJ027355 TTTLMW C34H53N7O10S 751.3575 NA PeJP NA NA +PJ027356 LFFYY C42H49N5O8 751.3581 NA PeJP NA NA +PJ027357 SCCKRR C27H53N13O8S2 751.3582 NA PeJP NA NA +PJ027358 STTTTLE C30H53N7O15 751.36 NA PeJP NA NA +PJ027359 TLKEMM C31H57N7O10S2 751.3609 NA PeJP NA NA +PJ027360 EERRY C31H49N11O11 751.3613 NA PeJP NA NA +PJ027361 GGGPPPDR C31H49N11O11 751.3614 NA PeJP NA NA +PJ027362 GKHHHH C32H45N15O7 751.3627 NA PeJP NA NA +PJ027363 GSSSKMR C28H53N11O11S 751.3647 NA PeJP NA NA +PJ027364 LDRYW C36H49N9O9 751.3653 NA PeJP NA NA +PJ027365 VERYW C36H49N9O9 751.3654 NA PeJP NA NA +PJ027366 STCKKW C33H53N9O9S 751.3687 NA PeJP NA NA +PJ027367 VVYWW C41H49N7O7 751.3694 NA PeJP NA NA +PJ027368 SSSSKKE C29H53N9O14 751.3712 NA PeJP NA NA +PJ027369 TTLMMR C30H57N9O9S2 751.3721 NA PeJP NA NA +PJ027370 GSNRRY C30H49N13O10 751.3726 NA PeJP NA NA +PJ027371 GVLMFW C38H53N7O7S 751.3728 NA PeJP NA NA +PJ027372 ALKEEY C34H53N7O12 751.3752 NA PeJP NA NA +PJ027373 VVDKEY C34H53N7O12 751.3753 NA PeJP NA NA +PJ027374 PVKMMF C35H57N7O7S2 751.3761 NA PeJP NA NA +PJ027375 GPQKHW C35H49N11O8 751.3766 NA PeJP NA NA +PJ027376 SSTTLLM C31H57N7O12S 751.3786 NA PeJP NA NA +PJ027377 VLKMMM C32H61N7O7S3 751.3795 NA PeJP NA NA +PJ027378 GNKMFR C32H53N11O8S 751.38 NA PeJP NA NA +PJ027379 PFFRW C40H49N9O6 751.3806 NA PeJP NA NA +PJ027380 SSSSTKR C28H53N11O13 751.3824 NA PeJP NA NA +PJ027381 SCKKMR C29H57N11O8S2 751.3833 NA PeJP NA NA +PJ027382 LMFRW C37H53N9O6S 751.384 NA PeJP NA NA +PJ027383 ATLERY C33H53N9O11 751.3865 NA PeJP NA NA +PJ027384 GVHHFR C34H49N13O7 751.3878 NA PeJP NA NA +PJ027385 ASSTKKM C30H57N9O11S 751.3898 NA PeJP NA NA +PJ027386 GSTTKKM C30H57N9O11S 751.3899 NA PeJP NA NA +PJ027387 GTLLYW C38H53N7O9 751.3905 NA PeJP NA NA +PJ027388 PTLKMY C35H57N7O9S 751.3939 NA PeJP NA NA +PJ027389 GTQKRY C32H53N11O10 751.3977 NA PeJP NA NA +PJ027390 HHFRR C33H49N15O6 751.3991 NA PeJP NA NA +PJ027391 QKKYW C37H53N9O8 751.4017 NA PeJP NA NA +PJ027392 GAPPPKW C37H53N9O8 751.4018 NA PeJP NA NA +MJ093064 Bufotalin; 3-(1-Methylhistidinylsuberoyl) C41H57N3O10 751.404395 NA MeJP NA NA +MJ093065 Bufotalin; 3-(3-Methylhistidinylsuberoyl) C41H57N3O10 751.404395 NA MeJP NA NA +PJ027393 GLLMRY C34H57N9O8S 751.4051 NA PeJP NA NA +PJ027394 SSTTTKK C30H57N9O13 751.4076 NA PeJP NA NA +PJ027395 SKKKMM C31H61N9O8S2 751.4085 NA PeJP NA NA +PJ027396 SPQKHR C31H53N13O9 751.4089 NA PeJP NA NA +PJ027397 PTNKHR C31H53N13O9 751.409 NA PeJP NA NA +PJ027398 SLLKEY C35H57N7O11 751.4116 NA PeJP NA NA +PJ027399 GPKKHW C36H53N11O7 751.413 NA PeJP NA NA +MJ093066 Germine; 1?-Acetoxy, O3-(2?-hydroxy-2-methylbutanoyl), O15-(2-methylbutanoyl) C39H61NO13 751.414291 NA MeJP NA NA +MJ093067 Germine; O3-(2R,3R)-2,3-Dihydroxy-2-methylbutanoyl, O15-(R)-2-methylbutanoyl, O7-Ac C39H61NO13 751.414291 NA MeJP NA NA +MJ093068 Germine; O3-(2S,3R)-(2-Hydroxy-2-methyl-3-acetoxybutanoyl), O15-(R)-2-methylbutanoyl C39H61NO13 751.414291 NA MeJP NA NA +MJ093069 Protoverine; O6-Ac, O15-(R)-2-methylbutanoyl, O3-(+)-2-hydroxy-2-methylbutanoyl C39H61NO13 751.414291 NA MeJP NA NA +PJ027400 ACKKFR C33H57N11O7S 751.4164 NA PeJP NA NA +PJ027401 GVQHRR C30H53N15O8 751.4202 NA PeJP NA NA +PJ027402 STLLRY C34H57N9O10 751.4229 NA PeJP NA NA +PJ027403 PVVKFY C39H57N7O8 751.4269 NA PeJP NA NA +3920 aurein 1,1, GLFDIIKKIAESIG 751.4279 MH2+ Inhouse_peptide NA peptide +5454 aurein 1,1 GLFDIIKKIAESIG 751.4279 MH2+ Inhouse_peptide NA peptide +PJ027404 VVLKMY C36H61N7O8S 751.4303 NA PeJP NA NA +PJ027405 QHRRR C29H53N17O7 751.4314 NA PeJP NA NA +PJ027406 GTKKRY C33H57N11O9 751.4341 NA PeJP NA NA +PJ027407 KKKYW C38H57N9O7 751.4381 NA PeJP NA NA +PJ027408 AKKKMF C35H61N9O7S 751.4415 NA PeJP NA NA +PJ027409 PPVQRR C32H57N13O8 751.4453 NA PeJP NA NA +PJ027410 GGPPLRR C32H57N13O8 751.4454 NA PeJP NA NA +PJ027411 APPLLLE C36H61N7O10 751.448 NA PeJP NA NA +MJ093070 Erythromycin; 8-Fluoro C37H66FNO13 751.451819 NA MeJP NA NA +PJ027412 APPRRR C31H57N15O7 751.4566 NA PeJP NA NA +PJ027413 SVKKKY C35H61N9O9 751.4592 NA PeJP NA NA +PJ027414 TTKKKF C35H61N9O9 751.4593 NA PeJP NA NA +PJ027415 VVLKFF C40H61N7O7 751.4633 NA PeJP NA NA +PJ027416 KHRRR C30H57N17O6 751.4678 NA PeJP NA NA +PJ027417 TLLLHR C34H61N11O8 751.4705 NA PeJP NA NA +8153 peptide from Okara protein - soybean lipoxygenase-1 TIIPLPV 751.471 stimulating Inhouse_peptide NA peptide +8154 peptide from Okara protein - soybean lipoxygenase-1 TIIPLPV 751.471 antibacterial Inhouse_peptide NA peptide +PJ027418 PPVKRR C33H61N13O7 751.4817 NA PeJP NA NA +PJ027419 SPPLLLL C37H65N7O9 751.4844 NA PeJP NA NA +HMDB12312 3-O-Sulfogalactosylceramide (d18:1/14:0) C38H73NO11S 751.490417 NA HMDB2010 NA NA +PJ027420 GPPILKK C36H65N9O8 751.4956 NA PeJP NA NA +PJ027421 GPPLLKK C36H65N9O8 751.4957 NA PeJP NA NA +PJ027422 VLKKKH C35H65N11O7 751.5069 NA PeJP NA NA +MJ093071 Kailuin; !Kailuin D C39H69N5O9 751.509528 NA MeJP NA NA +EUR935 PC 32:2 [M+Na]+ C40H76NO8P 751.512803 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR935 PC 32:2 [M+Na]+ C40H76NO8P 751.512803 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR935 PC 32:2 [M+Na]+ C40H76NO8P 751.512803 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR935 PC 32:2 [M+Na]+ C40H76NO8P 751.512803 masses lipides attendues Inhousejuil11 NA NA +HMDB07885 PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)) C42H74NO8P 751.515198 NA HMDB2010 NA NA +HMDB07916 PC(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C42H74NO8P 751.515198 NA HMDB2010 NA NA +HMDB07917 PC(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C42H74NO8P 751.515198 NA HMDB2010 NA NA +HMDB08009 PC(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C42H74NO8P 751.515198 NA HMDB2010 NA NA +HMDB08233 PC(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)) C42H74NO8P 751.515198 NA HMDB2010 NA NA +HMDB08427 PC(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)) C42H74NO8P 751.515198 NA HMDB2010 NA NA +HMDB08460 PC(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)) C42H74NO8P 751.515198 NA HMDB2010 NA NA +HMDB08492 PC(20:5(5Z,8Z,11Z,14Z,17Z)/14:0) C42H74NO8P 751.515198 NA HMDB2010 NA NA +HMDB08911 PE(15:0/22:5(4Z,7Z,10Z,13Z,16Z)) C42H74NO8P 751.515198 NA HMDB2010 NA NA +HMDB08912 PE(15:0/22:5(7Z,10Z,13Z,16Z,19Z)) C42H74NO8P 751.515198 NA HMDB2010 NA NA +HMDB09615 PE(22:5(4Z,7Z,10Z,13Z,16Z)/15:0) C42H74NO8P 751.515198 NA HMDB2010 NA NA +HMDB09648 PE(22:5(7Z,10Z,13Z,16Z,19Z)/15:0) C42H74NO8P 751.515198 NA HMDB2010 NA NA +MJ093072 Trichodecenin I C38H69N7O8 751.520762 NA MeJP NA NA +PJ027423 APLLLLL C38H69N7O8 751.5208 NA PeJP NA NA +HMDB05779 GPEtn(O-18:1(1Z)/20:4(5Z,8Z,11Z,14Z)) C43H78NO7P 751.55157 http://www.hmdb.ca/metabolites/HMDB05779 HMDB NA NA +HMDB05779 GPEtn(O-18:1(1Z)/20:4(5Z,8Z,11Z,14Z)) C43H78NO7P 751.55157 HMDB05779 PFEM_hmdb_metabocards_official NA NA +HMDB05779 PE(O-18:1(1Z)/20:4(5Z,8Z,11Z,14Z)) C43H78NO7P 751.551575 NA HMDB2010 NA NA +HMDB09347 PE(20:3(5Z,8Z,11Z)/P-18:1(11Z)) C43H78NO7P 751.551575 NA HMDB2010 NA NA +HMDB09348 PE(20:3(5Z,8Z,11Z)/P-18:1(9Z)) C43H78NO7P 751.551575 NA HMDB2010 NA NA +HMDB09380 PE(20:3(8Z,11Z,14Z)/P-18:1(11Z)) C43H78NO7P 751.551575 NA HMDB2010 NA NA +HMDB09381 PE(20:3(8Z,11Z,14Z)/P-18:1(9Z)) C43H78NO7P 751.551575 NA HMDB2010 NA NA +HMDB09412 PE(20:4(5Z,8Z,11Z,14Z)/P-18:0) C43H78NO7P 751.551575 NA HMDB2010 NA NA +HMDB09445 PE(20:4(8Z,11Z,14Z,17Z)/P-18:0) C43H78NO7P 751.551575 NA HMDB2010 NA NA +HMDB09609 PE(22:4(7Z,10Z,13Z,16Z)/P-16:0) C43H78NO7P 751.551575 NA HMDB2010 NA NA +HMDB11358 PE(P-16:0/22:4(7Z,10Z,13Z,16Z)) C43H78NO7P 751.551575 NA HMDB2010 NA NA +HMDB11386 PE(P-18:0/20:4(8Z,11Z,14Z,17Z)) C43H78NO7P 751.551575 NA HMDB2010 NA NA +HMDB11416 PE(P-18:1(11Z)/20:3(5Z,8Z,11Z)) C43H78NO7P 751.551575 NA HMDB2010 NA NA +HMDB11417 PE(P-18:1(11Z)/20:3(8Z,11Z,14Z)) C43H78NO7P 751.551575 NA HMDB2010 NA NA +HMDB11449 PE(P-18:1(9Z)/20:3(5Z,8Z,11Z)) C43H78NO7P 751.551575 NA HMDB2010 NA NA +EUR1042 SM(d18:0/16:0) [M+FA-H]- C39H82N2O6P 751.595931 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1042 SM(d18:0/16:0) [M+FA-H]- C39H82N2O6P 751.595931 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1042 SM(d18:0/16:0) [M+FA-H]- C39H82N2O6P 751.595931 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1042 SM(d18:0/16:0) [M+FA-H]- C39H82N2O6P 751.595931 masses lipides attendues Inhousejuil11 NA NA +MJ093073 3-Amino-2,4,6-triiodobenzoic acid; N-Ac, N-Methylglucamine salt C16H23I3N2O8 751.858845 NA MeJP NA NA +3006 kinases inhibitor KKALYRQEAVDAL 751.91295 MH2+ Inhouse_peptide NA peptide +3008 kinases inhibitor KKALRYQEAVDAL 751.91295 MH2+ Inhouse_peptide NA peptide +MJ093074 Emethallicin C C34H28N2O10S4 752.062677 NA MeJP NA NA +MJ093075 Verticillin D; 13,13'-Diketone C32H28N6O8S4 752.085144 NA MeJP NA NA +FL5FAAGS0101 Loropetalin D;Kaempferol 3-(2'',6''-digalloylglucoside);3-[[2,6-bis-O-(3,4,5-Trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C35H28O19 752.12247 197379-54-7 knapsack NA NA +MJ093076 Astragalin; 2'',6''-Bis-O-(3,4,5-trihydroxybenzoyl) C35H28O19 752.122478 NA MeJP NA NA +MJ093077 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[2,3-Bis-O-(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] C35H29O19(+) 752.122478 NA MeJP NA NA +MJ093078 Leptosin K C34H36N6O6S4 752.157915 NA MeJP NA NA +MJ093079 Ribitol; Pentakis(4-hydroxybenzoyl) C40H32O15 752.17412 NA MeJP NA NA +PJ027424 CCCMMY C28H44N6O8S5 752.1824 NA PeJP NA NA +PJ027425 GCCCCQH C25H40N10O9S4 752.1863 NA PeJP NA NA +PJ027426 GCNDDDD C25H36N8O17S 752.1919 NA PeJP NA NA +PJ027427 GGGCDDDD C25H36N8O17S 752.192 NA PeJP NA NA +PJ027428 CCCDFY C31H40N6O10S3 752.1968 NA PeJP NA NA +PJ027429 SSCCCNH C25H40N10O11S3 752.204 NA PeJP NA NA +PJ027430 GGSSCCCH C25H40N10O11S3 752.2041 NA PeJP NA NA +PJ027431 SPCCNDD C26H40N8O14S2 752.2106 NA PeJP NA NA +PJ027432 CCEMMH C27H44N8O9S4 752.2114 NA PeJP NA NA +PJ027433 GAPPCCCC C27H44N8O9S4 752.2115 NA PeJP NA NA +PJ027434 SCCDYY C31H40N6O12S2 752.2146 NA PeJP NA NA +PJ027435 CCCMFF C32H44N6O7S4 752.2155 NA PeJP NA NA +FL5FAAGS0067 Sagittain B C34H40O19 752.21637 124723-15-5 knapsack NA NA +FL5FAAGS0135 4''''-Acetylsagittatin A;Kaempferol 3-xylosyl(1->2)rhamnoside-7-(4''-acetylrhamnoside) C34H40O19 752.21637 174284-22-1 knapsack NA NA +MJ093080 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-(4-O-acetyl-?-L-rhamnopyranoside) C34H40O19 752.216379 NA MeJP NA NA +MJ093081 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-L-rhamnopyranoside C34H40O19 752.216379 NA MeJP NA NA +MJ093082 Arillatose A C34H40O19 752.216379 NA MeJP NA NA +MJ093083 Glomeratose E C34H40O19 752.216379 NA MeJP NA NA +PJ027436 DDDEEM C27H40N6O17S 752.2171 NA PeJP NA NA +PJ027437 GCCNNNE C25H40N10O13S2 752.2218 NA PeJP NA NA +PJ027438 GCCCCKH C26H44N10O8S4 752.2227 NA PeJP NA NA +PJ027439 CCDEHF C30H40N8O11S2 752.2258 NA PeJP NA NA +PJ027440 GSNDDDM C26H40N8O16S 752.2283 NA PeJP NA NA +PJ027441 GPCCNEM C27H44N8O11S3 752.2292 NA PeJP NA NA +PJ027442 ACCMYY C32H44N6O9S3 752.2332 NA PeJP NA NA +PJ027443 DDDDHH C28H36N10O15 752.2362 NA PeJP NA NA +PJ027444 CCNNNW C29H40N10O10S2 752.2371 NA PeJP NA NA +PJ027445 SSCNNND C25H40N10O15S 752.2395 NA PeJP NA NA +PJ027446 GGSSCNND C25H40N10O15S 752.2396 NA PeJP NA NA +PJ027447 GPCCCDR C26H44N10O10S3 752.2404 NA PeJP NA NA +PJ027448 SCNDEW C30H40N8O13S 752.2436 NA PeJP NA NA +PJ027449 PCCNMW C31H44N8O8S3 752.2445 NA PeJP NA NA +PJ027450 SSSNDDE C26H40N8O18 752.2461 NA PeJP NA NA +PJ027451 NNDEMM C27H44N8O13S2 752.247 NA PeJP NA NA +PJ027452 TCMMMH C28H48N8O8S4 752.2478 NA PeJP NA NA +PJ027453 PDDDEY C31H40N6O16 752.2501 NA PeJP NA NA +PJ027454 SSCMYY C32H44N6O11S2 752.251 NA PeJP NA NA +MJ093084 Catalpol; 6-O-[(4-Methoxy-Z-cinnamoyl)-(?3)-2,4-di-O-acetyl-?-L-rhamnopyranoside] C35H44O18 752.252764 NA MeJP NA NA +MJ093085 Catalpol; 6-O-[(4-Methoxy-Z-cinnamoyl)-(?4)-2,3-di-O-acetyl-?-L-rhamnopyranoside] C35H44O18 752.252764 NA MeJP NA NA +MJ093086 Catalpol; 6-O-[(4-Methoxycinnamoyl)-(?4)-2,3-di-O-acetyl-?-L-rhamnopyranoside] C35H44O18 752.252764 NA MeJP NA NA +MJ093087 Catalpol; 6-O-[4-methoxycinnamoyl-(?3)-2,4-di-O-acetyl-?-L-rhamnopyranoside] C35H44O18 752.252764 NA MeJP NA NA +PJ027455 SEEEEM C28H44N6O16S 752.2535 NA PeJP NA NA +PJ027456 PDEMMM C29H48N6O11S3 752.2543 NA PeJP NA NA +PJ027457 CNDDMR C26H44N10O12S2 752.2582 NA PeJP NA NA +PJ027458 GSCDWW C34H40N8O10S 752.2588 NA PeJP NA NA +PJ027459 GSSSDDW C30H40N8O15 752.2613 NA PeJP NA NA +PJ027460 GGNDDEF C30H40N8O15 752.2614 NA PeJP NA NA +PJ027461 GNDMMW C31H44N8O10S2 752.2622 NA PeJP NA NA +PJ027462 GSSNEEM C27H44N8O15S 752.2647 NA PeJP NA NA +PJ027463 GSPCQMM C28H48N8O10S3 752.2656 NA PeJP NA NA +PJ027464 CNNEHH C28H40N12O11S 752.266 NA PeJP NA NA +PJ027465 GGCNEHH C28H40N12O11S 752.2661 NA PeJP NA NA +PJ027466 ACCFFY C36H44N6O8S2 752.2662 NA PeJP NA NA +PJ027467 PDDEMF C32H44N6O13S 752.2687 NA PeJP NA NA +PJ027468 GSCCNNR C25H44N12O11S2 752.2694 NA PeJP NA NA +PJ027469 VDEEMM C29H48N6O13S2 752.2721 NA PeJP NA NA +PJ027470 NNNNDY C29H40N10O14 752.2726 NA PeJP NA NA +MJ093088 Chelerythridimerine C45H40N2O9 752.27338 NA MeJP NA NA +PJ027471 ACCDRW C30H44N10O9S2 752.2734 NA PeJP NA NA +PJ027472 GCCERW C30H44N10O9S2 752.2735 NA PeJP NA NA +PJ027473 ASSCDDR C26H44N10O14S 752.2759 NA PeJP NA NA +PJ027474 GSSCDER C26H44N10O14S 752.276 NA PeJP NA NA +PJ027475 GNDDFW C34H40N8O12 752.2766 NA PeJP NA NA +PJ027476 GSPCCMR C27H48N10O9S3 752.2768 NA PeJP NA NA +PJ027477 CQMWW C35H44N8O7S2 752.2775 NA PeJP NA NA +PJ027478 SSNEMW C31H44N8O12S 752.28 NA PeJP NA NA +PJ027479 GMMMHF C32H48N8O7S3 752.2808 NA PeJP NA NA +PJ027480 GCNHHW C32H40N12O8S 752.2813 NA PeJP NA NA +PJ027481 SSSSQEE C27H44N8O17 752.2825 NA PeJP NA NA +PJ027482 SQQEMM C28H48N8O12S2 752.2833 NA PeJP NA NA +PJ027483 GGGATEMM C28H48N8O12S2 752.2834 NA PeJP NA NA +PJ027484 GSSNDHH C28H40N12O13 752.2838 NA PeJP NA NA +PJ027485 NMYYY C36H44N6O10S 752.284 NA PeJP NA NA +PJ027486 SPEEEY C32H44N6O15 752.2865 NA PeJP NA NA +PJ027487 PPDMMY C33H48N6O10S2 752.2874 NA PeJP NA NA +PJ027488 CCRWW C34H44N10O6S2 752.2887 NA PeJP NA NA +MJ093089 Azadirachtin; 22,23-Dihydro, 21?-methoxy C36H48O17 752.28915 NA MeJP NA NA +MJ093090 Azadirachtin; 22,23-Dihydro, 23?-methoxy C36H48O17 752.28915 NA MeJP NA NA +PJ027489 SSCDRW C30H44N10O11S 752.2912 NA PeJP NA NA +PJ027490 SSSSDDR C26H44N10O16 752.2937 NA PeJP NA NA +PJ027491 SNDMMR C27H48N10O11S2 752.2946 NA PeJP NA NA +PJ027492 GSSMWW C35H44N8O9S 752.2952 NA PeJP NA NA +MJ093091 Indocyanine green C43H48N2O6S2 752.295378 NA MeJP NA NA +PJ027493 GSSSTEW C31H44N8O14 752.2977 NA PeJP NA NA +PJ027494 GTQMMW C32H48N8O9S2 752.2986 NA PeJP NA NA +PJ027495 GSSDKEM C28H48N8O14S 752.3011 NA PeJP NA NA +PJ027496 GSTYYY C36H44N6O12 752.3017 NA PeJP NA NA +PJ027497 PPDDFY C36H44N6O12 752.3018 NA PeJP NA NA +PJ027498 VNQMMM C29H52N8O9S3 752.302 NA PeJP NA NA +PJ027499 SNQMHH C29H44N12O10S 752.3024 NA PeJP NA NA +PJ027500 GGGGTMHH C29H44N12O10S 752.3025 NA PeJP NA NA +MJ093092 Zaragozic acid C; 8',9'-Didehydro C40H48O14 752.304406 NA MeJP NA NA +PJ027501 PVDEMY C33H48N6O12S 752.3051 NA PeJP NA NA +PJ027502 SCCERR C26H48N12O10S2 752.3058 NA PeJP NA NA +PJ027503 PPMMMF C34H52N6O7S3 752.306 NA PeJP NA NA +PJ027504 PPCNHW C34H44N10O8S 752.3065 NA PeJP NA NA +PJ027505 TLEEMM C30H52N6O12S2 752.3085 NA PeJP NA NA +PJ027506 SNNQQY C30H44N10O13 752.3089 NA PeJP NA NA +PJ027507 GNDERY C30H44N10O13 752.309 NA PeJP NA NA +PJ027508 PLMMMM C31H56N6O7S4 752.3094 NA PeJP NA NA +PJ027509 GTCMRW C31H48N10O8S2 752.3098 NA PeJP NA NA +PJ027510 GEHHHH C31H40N14O9 752.3103 NA PeJP NA NA +PJ027511 GSSSEMR C27H48N10O13S 752.3123 NA PeJP NA NA +PJ027512 SSSTWW C35H44N8O11 752.313 NA PeJP NA NA +PJ027513 GQMMMR C28H52N10O8S3 752.3132 NA PeJP NA NA +PJ027514 SCNHHR C28H44N14O9S 752.3137 NA PeJP NA NA +PJ027515 CKMWW C36H48N8O6S2 752.3138 NA PeJP NA NA +PJ027516 SSDKMW C32H48N8O11S 752.3163 NA PeJP NA NA +PJ027517 GSVTTCW C32H48N8O11S 752.3164 NA PeJP NA NA +PJ027518 NFFYY C40H44N6O9 752.317 NA PeJP NA NA +PJ027519 SSSSKEE C28H48N8O16 752.3188 NA PeJP NA NA +PJ027520 GGSTTTTE C28H48N8O16 752.3189 NA PeJP NA NA +PJ027521 SQKEMM C29H52N8O11S2 752.3197 NA PeJP NA NA +PJ027522 PNDDHR C29H44N12O12 752.3202 NA PeJP NA NA +PJ027523 PPDMFF C37H48N6O9S 752.3204 NA PeJP NA NA +PJ027524 ALEEEY C33H48N6O14 752.3229 NA PeJP NA NA +PJ027525 PVEMMF C34H52N6O9S2 752.3238 NA PeJP NA NA +PJ027526 NDRYW C34H44N10O10 752.3242 NA PeJP NA NA +PJ027527 GCMMRR C27H52N12O7S3 752.3244 NA PeJP NA NA +PJ027528 HHHHW C35H40N14O6 752.3256 NA PeJP NA NA +PJ027529 VLEMMM C31H56N6O9S3 752.3271 NA PeJP NA NA +PJ027530 SSSMRW C31H48N10O10S 752.3276 NA PeJP NA NA +PJ027531 AQYWW C39H44N8O8 752.3282 NA PeJP NA NA +PJ027532 SSSSTER C27H48N10O15 752.3301 NA PeJP NA NA +MJ093093 Isopythaldine C43H48N2O10 752.330895 NA MeJP NA NA +PJ027533 STQMMR C28H52N10O10S2 752.3309 NA PeJP NA NA +PJ027534 TTNMMR C28H52N10O10S2 752.331 NA PeJP NA NA +PJ027535 GPCKYW C36H48N8O8S 752.3316 NA PeJP NA NA +PJ027536 SSSSSLW C32H48N8O13 752.3341 NA PeJP NA NA +PJ027537 GTKMMW C33H52N8O8S2 752.335 NA PeJP NA NA +PJ027538 GQQHHF C33H44N12O9 752.3355 NA PeJP NA NA +PJ027539 GSTTKEM C29H52N8O13S 752.3375 NA PeJP NA NA +PJ027540 PPVDYY C37H48N6O11 752.3381 NA PeJP NA NA +PJ027541 VNKMMM C30H56N8O8S3 752.3384 NA PeJP NA NA +PJ027542 GCDFRR C30H48N12O9S 752.3388 NA PeJP NA NA +PJ027543 PQHWW C38H44N10O7 752.3395 NA PeJP NA NA +PJ027544 PTLEMY C34H52N6O11S 752.3415 NA PeJP NA NA +PJ027545 STCMRR C27H52N12O9S2 752.3422 NA PeJP NA NA +PJ027546 NMFRW C35H48N10O7S 752.3428 NA PeJP NA NA +PJ027547 GGMFRW C35H48N10O7S 752.3429 NA PeJP NA NA +PJ027548 GTQERY C31H48N10O12 752.3453 NA PeJP NA NA +PJ027549 GDDKRY C31H48N10O12 752.3454 NA PeJP NA NA +PJ027550 PCCKFR C32H52N10O7S2 752.3462 NA PeJP NA NA +PJ027551 SVHHHH C32H44N14O8 752.3467 NA PeJP NA NA +PJ027552 GSTTTMR C28H52N10O12S 752.3487 NA PeJP NA NA +PJ027553 QKEYW C36H48N8O10 752.3494 NA PeJP NA NA +PJ027554 GKMMMR C29H56N10O7S3 752.3496 NA PeJP NA NA +PJ027555 STTKMW C33H52N8O10S 752.3527 NA PeJP NA NA +PJ027556 GGGGVLMY C33H52N8O10S 752.3528 NA PeJP NA NA +PJ027557 SSTTTKE C29H52N8O15 752.3552 NA PeJP NA NA +PJ027558 SKKEMM C30H56N8O10S2 752.3561 NA PeJP NA NA +PJ027559 GSDRRY C30H48N12O11 752.3566 NA PeJP NA NA +PJ027560 PPVMFY C38H52N6O8S 752.3568 NA PeJP NA NA +PJ027561 SLLEEY C34H52N6O13 752.3593 NA PeJP NA NA +PJ027562 PVLMMY C35H56N6O8S2 752.3601 NA PeJP NA NA +PJ027563 TQRYW C35H48N10O9 752.3606 NA PeJP NA NA +MJ093094 3,11,14-Trihydroxybufa-20,22-dienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside], 11-Ac C38H56O15 752.361921 NA MeJP NA NA +MJ093095 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-2,3-di-O-acetyl-?-D-allopyranoside] C38H56O15 752.361921 NA MeJP NA NA +MJ093096 Tanghinigenin; 3-O-[?-D-Glucopyranosyl(1?4)-2-O-acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside] C38H56O15 752.361921 NA MeJP NA NA +PJ027564 GVQMRY C32H52N10O9S 752.364 NA PeJP NA NA +PJ027565 AKYWW C40H48N8O7 752.3646 NA PeJP NA NA +PJ027566 SSTTTTR C28H52N10O14 752.3665 NA PeJP NA NA +PJ027567 STKMMR C29H56N10O9S2 752.3673 NA PeJP NA NA +PJ027568 GSCCKKK C29H56N10O9S2 752.3674 NA PeJP NA NA +PJ027569 GQQQHR C29H48N14O10 752.3678 NA PeJP NA NA +PJ027570 AAKMFW C37H52N8O7S 752.368 NA PeJP NA NA +PJ027571 GKKEEY C33H52N8O12 752.3705 NA PeJP NA NA +PJ027572 PCKKMF C34H56N8O7S2 752.3714 NA PeJP NA NA +PJ027573 GPTHRW C34H48N12O8 752.3718 NA PeJP NA NA +PJ027574 GGAKHHF C34H48N12O8 752.3719 NA PeJP NA NA +PJ027575 SSSTLKM C30H56N8O12S 752.3739 NA PeJP NA NA +PJ027576 PPTLYY C38H52N6O10 752.3745 NA PeJP NA NA +PJ027577 CLKKMM C31H60N8O7S3 752.3747 NA PeJP NA NA +PJ027578 QMRRY C31H52N12O8S 752.3752 NA PeJP NA NA +PJ027579 PKHWW C39H48N10O6 752.3759 NA PeJP NA NA +PJ027580 VVLEMY C35H56N6O10S 752.3779 NA PeJP NA NA +MJ093097 Callophylline B C43H52N4O8 752.378514 NA MeJP NA NA +PJ027581 GNNHRR C28H48N16O9 752.3791 NA PeJP NA NA +PJ027582 GTKERY C32H52N10O11 752.3817 NA PeJP NA NA +PJ027583 GGGALLEH C32H52N10O11 752.3818 NA PeJP NA NA +PJ027584 KKEYW C37H52N8O9 752.3857 NA PeJP NA NA +PJ027585 GSLKYW C37H52N8O9 752.3858 NA PeJP NA NA +PJ027586 CRRRY C30H52N14O7S 752.3864 NA PeJP NA NA +PJ027587 GPMHRR C30H52N14O7S 752.3865 NA PeJP NA NA +MJ093098 Antibiotic SB 22484; Antibiotic SB 22484-1 C41H56N2O11 752.38841 NA MeJP NA NA +MJ093099 Nudicauline; O14-De-Ac, O14-(2R-methylbutanoyl) C41H56N2O11 752.38841 NA MeJP NA NA +PJ027588 SPKKMY C34H56N8O9S 752.3891 NA PeJP NA NA +PJ027589 PPVFFF C42H52N6O7 752.3898 NA PeJP NA NA +PJ027590 TTTTTTK C30H56N8O14 752.3916 NA PeJP NA NA +PJ027591 GTTRRY C31H52N12O10 752.393 NA PeJP NA NA +PJ027592 PVLMFF C39H56N6O7S 752.3932 NA PeJP NA NA +3304 NA LLPHHH 752.394 celiac toxic Inhouse_peptide NA peptide +PJ027593 VLLMMF C36H60N6O7S2 752.3965 NA PeJP NA NA +PJ027594 TKRYW C36H52N10O8 752.397 NA PeJP NA NA +MJ093100 3,14,15-Trihydroxypregn-5-ene-12,20-dione, Glycoside C39H60O14 752.398306 NA MeJP NA NA +MJ093101 Spirosta-5,25(27)-diene-1,2,3-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C39H60O14 752.398306 NA MeJP NA NA +PJ027595 GVKMRY C33H56N10O8S 752.4004 NA PeJP NA NA +MJ093102 Stigmastane-3,6,8,15,16,29-hexol, 29-[5-O-Methyl-?-D-galactofuranoside], 6-sulfate C36H64O14S 752.401677 NA MeJP NA NA +PJ027596 GVEHRR C30H52N14O9 752.4042 NA PeJP NA NA +PJ027597 SVKKEY C34H56N8O11 752.4069 NA PeJP NA NA +PJ027598 AALHRW C35H52N12O7 752.4082 NA PeJP NA NA +PJ027599 PVVLYY C39H56N6O9 752.4109 NA PeJP NA NA +PJ027600 KMRRY C32H56N12O7S 752.4116 NA PeJP NA NA +PJ027601 TLLLMY C36H60N6O9S 752.4143 NA PeJP NA NA +MJ093103 Vinblastine; Deacetoxy C44H56N4O7 752.4149 NA MeJP NA NA +PJ027602 EHRRR C29H52N16O8 752.4154 NA PeJP NA NA +PJ027603 SSLKRY C33H56N10O10 752.4181 NA PeJP NA NA +PJ027604 VHRRW C34H52N14O6 752.4195 NA PeJP NA NA +PJ027605 PPLLQW C38H56N8O8 752.4221 NA PeJP NA NA +MJ093104 Axinastatin 1 C38H56N8O8 752.42211 NA MeJP NA NA +PJ027606 GPPVVVW C38H56N8O8 752.4222 NA PeJP NA NA +PJ027607 ALKKMY C35H60N8O8S 752.4255 NA PeJP NA NA +PJ027608 VNQKKH C32H56N12O9 752.4293 NA PeJP NA NA +PJ027609 PPVERR C32H56N12O9 752.4294 NA PeJP NA NA +PJ027610 PPVVRW C37H56N10O7 752.4334 NA PeJP NA NA +MJ093105 Cimigenol; 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-xylopyranoside] C40H64O13 752.434692 NA MeJP NA NA +MJ093106 Dimorphoside A; 7-Deoxy, 2''Ac C40H64O13 752.434692 NA MeJP NA NA +MJ093107 Lustericin C40H64O13 752.434692 NA MeJP NA NA +MJ093108 Polypodogenin; 3-O-?-D-Glucopyranoside, 26-O-(3-O-methyl-?-L-rhamnopyranoside) C40H64O13 752.434692 NA MeJP NA NA +MJ093109 Spirostane-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?3)-4-acetyl-?-L-arabinopyranoside] C40H64O13 752.434692 NA MeJP NA NA +PJ027611 PLKKMH C34H60N10O7S 752.4368 NA PeJP NA NA +PJ027612 ATLHRR C31H56N14O8 752.4406 NA PeJP NA NA +PJ027613 TTLKKY C35H60N8O10 752.4433 NA PeJP NA NA +MJ093110 Arginyltyrosylisoleucylarginylphenylalaninamide C36H56N12O6 752.444577 NA MeJP NA NA +PJ027614 KFFRR C36H56N12O6 752.4446 NA PeJP NA NA +PJ027615 VVLLFY C40H60N6O8 752.4473 NA PeJP NA NA +MJ093111 Dihypoestoxide C44H64O10 752.449948 NA MeJP NA NA +MJ093112 Isodopharicin E C44H64O10 752.449948 NA MeJP NA NA +PJ027616 GPPTLLR C34H60N10O9 752.4545 NA PeJP NA NA +PJ027617 PPLLKW C39H60N8O7 752.4585 NA PeJP NA NA +PJ027618 SLLKHR C33H60N12O8 752.4657 NA PeJP NA NA +PJ027619 GGVKKKH C33H60N12O8 752.4658 NA PeJP NA NA +MJ093113 12-Oleanene-3,16,28-triol, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-D-glucopyranoside] C41H68O12 752.471077 NA MeJP NA NA +MJ093114 12-Oleanene-3,22,24-triol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-L-arabinopyranoside] C41H68O12 752.471077 NA MeJP NA NA +MJ093115 14-Apotirucallene-3,7,23,24,25-pentol, 7-O-(6-O-?-D-Acetylglucopyranoside), 3-Ac, 25-Me ether C41H68O12 752.471077 NA MeJP NA NA +MJ093116 3,22-Dihydroxy-6-hopanone; ,21à H-form, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-D-glucopyranoside] C41H68O12 752.471077 NA MeJP NA NA +MJ093117 Cucurbita-5,24-diene-3,7,16-triol, 16-O-?-D-Glucopyranoside, 3-O-?-D-xylopyranoside C41H68O12 752.471077 NA MeJP NA NA +MJ093118 Cumingianoside G; 25-Me ether, 3,6'-di-Ac C41H68O12 752.471077 NA MeJP NA NA +PJ027620 GKKKHR C32H60N14O7 752.477 NA PeJP NA NA +PJ027621 SPPVLLK C36H64N8O9 752.4797 NA PeJP NA NA +PJ027622 AAPLLLR C35H64N10O8 752.4909 NA PeJP NA NA +PJ027623 PVLLRR C34H64N12O7 752.5021 NA PeJP NA NA +MJ093119 Dunaimycin D2S; 4-Deoxy, 8-deglycosyloxy C42H72O11 752.507463 NA MeJP NA NA +MJ093120 Salinomycin; 18,19-Dihydro C42H72O11 752.507463 NA MeJP NA NA +PJ027624 GPLLLLK C37H68N8O8 752.516 NA PeJP NA NA +PJ027625 PVVVVLK C37H68N8O8 752.5161 NA PeJP NA NA +MJ093121 Siphonaxanthin; 19-O-(2E-Decenoyl) C50H72O5 752.537975 NA MeJP NA NA +MJ093122 1,2-Di-O-acylglycerols; Glycerol 1-(9Z,12Z,15Z-octadecatrienoate) 2-hexadecanoate, 3-O-?-D-Galactopyranoside (2S-) C43H76O10 752.543848 NA MeJP NA NA +MJ093123 6-Methoxy-2-nonaprenyl(X-H2)-1,4-benzoquinone C52H80O3 752.610746 NA MeJP NA NA +MJ093124 Glisoprenin D; 6,7-Epoxide C45H84O8 752.616619 NA MeJP NA NA +HMDB07732 DG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/0:0) C49H84O5 752.631897 NA HMDB2010 NA NA +HMDB07761 DG(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/0:0) C49H84O5 752.631897 NA HMDB2010 NA NA +HMDB07789 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/0:0) C49H84O5 752.631897 NA HMDB2010 NA NA +HMDB07817 DG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C49H84O5 752.631897 NA HMDB2010 NA NA +HMDB07844 DG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C49H84O5 752.631897 NA HMDB2010 NA NA +HMDB07845 DG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C49H84O5 752.631897 NA HMDB2010 NA NA +MetaCyc04100 plastoquinone-9 [] C53H84O2 752.647132 NA metacyc NA NA +MetaCyc04101 plastoquinol-1 [] C53H84O2 752.647132 NA metacyc NA NA +MJ093125 20(29)-Lupen-3-ol, 3,5-Dihydroxyeicosanoyl C50H88O4 752.668261 NA MeJP NA NA +MJ093126 20(29)-Lupene-3,7,15-triol, 3-Eicosanoyl C50H88O4 752.668261 NA MeJP NA NA +FL7AACGL0105 Cyanidin 3-(2,3-di-galloylglucoside) C35H29O19 753.1303 259254-15-4 knapsack NA NA +PJ027626 GCCCCCY C26H39N7O9S5 753.1413 NA PeJP NA NA +PJ027627 GCCCCEH C25H39N9O10S4 753.1703 NA PeJP NA NA +PJ027628 GCDDDDD C25H35N7O18S 753.176 NA PeJP NA NA +PJ027629 CCCCHW C29H39N9O7S4 753.1856 NA PeJP NA NA +PJ027630 SSCCCDH C25H39N9O12S3 753.1881 NA PeJP NA NA +PJ027631 SPCCDDD C26H39N7O15S2 753.1946 NA PeJP NA NA +PJ027632 PPCCCCE C27H43N7O10S4 753.1955 NA PeJP NA NA +PJ027633 GCCNNDE C25H39N9O14S2 753.2058 NA PeJP NA NA +PJ027634 GTCCCMH C26H43N9O9S4 753.2067 NA PeJP NA NA +PJ027635 ASCDDDE C26H39N7O17S 753.2123 NA PeJP NA NA +MJ093127 Ezomycin D1 C26H39N7O17S 753.212313 NA MeJP NA NA +PJ027636 GSDDDDM C26H39N7O17S 753.2124 NA PeJP NA NA +PJ027637 GPCCDEM C27H43N7O12S3 753.2132 NA PeJP NA NA +PJ027638 CCNNDW C29H39N9O11S2 753.2211 NA PeJP NA NA +PJ027639 SSCNNDD C25H39N9O16S 753.2236 NA PeJP NA NA +PJ027640 SSSCCMH C26H43N9O11S3 753.2244 NA PeJP NA NA +PJ027641 GGSPCCCQ C26H43N9O11S3 753.2245 NA PeJP NA NA +PJ027642 SCDDEW C30H39N7O14S 753.2276 NA PeJP NA NA +PJ027643 PCCDMW C31H43N7O9S3 753.2285 NA PeJP NA NA +PJ027644 SSSDDDE C26H39N7O19 753.2301 NA PeJP NA NA +PJ027645 NDDEMM C27H43N7O14S2 753.231 NA PeJP NA NA +PJ027646 PPTCCCM C28H47N7O9S4 753.2318 NA PeJP NA NA +PJ027647 CCNMHF C30H43N9O8S3 753.2397 NA PeJP NA NA +PJ027648 CDDDMR C26H43N9O13S2 753.2422 NA PeJP NA NA +PJ027649 NDDDEF C30H39N7O16 753.2454 NA PeJP NA NA +PJ027650 GDDMMW C31H43N7O11S2 753.2462 NA PeJP NA NA +PJ027651 GSSDEEM C27H43N7O16S 753.2487 NA PeJP NA NA +PJ027652 GSPCEMM C28H47N7O11S3 753.2496 NA PeJP NA NA +PJ027653 CNDEHH C28H39N11O12S 753.2501 NA PeJP NA NA +PJ027654 GSCCNDR C25H43N11O12S2 753.2534 NA PeJP NA NA +PJ027655 GGGSCCDR C25H43N11O12S2 753.2535 NA PeJP NA NA +PJ027656 NNNDDY C29H39N9O15 753.2566 NA PeJP NA NA +PJ027657 SCNNMW C30H43N9O10S2 753.2574 NA PeJP NA NA +PJ027658 GGSCNMW C30H43N9O10S2 753.2575 NA PeJP NA NA +PJ027659 SSSCNQE C26H43N9O15S 753.2599 NA PeJP NA NA +PJ027660 SSSNNDM C26H43N9O15S 753.26 NA PeJP NA NA +PJ027661 GDDDFW C34H39N7O13 753.2606 NA PeJP NA NA +PJ027662 NNNMMM C27H47N9O10S3 753.2608 NA PeJP NA NA +PJ027663 GGGGGGMMM C27H47N9O10S3 753.2609 NA PeJP NA NA +PJ027664 CEMWW C35H43N7O8S2 753.2615 NA PeJP NA NA +PJ027665 SSDEMW C31H43N7O13S 753.264 NA PeJP NA NA +PJ027666 SPCMMW C32H47N7O8S3 753.2648 NA PeJP NA NA +PJ027667 GPPCCMF C32H47N7O8S3 753.2649 NA PeJP NA NA +PJ027668 GCDHHW C32H39N11O9S 753.2653 NA PeJP NA NA +PJ027669 SSSSEEE C27H43N7O18 753.2665 NA PeJP NA NA +PJ027670 SSSPDMM C28H47N7O13S2 753.2673 NA PeJP NA NA +PJ027671 SQEEMM C28H47N7O13S2 753.2674 NA PeJP NA NA +PJ027672 GSSDDHH C28H39N11O14 753.2678 NA PeJP NA NA +PJ027673 DMYYY C36H43N5O11S 753.268 NA PeJP NA NA +PJ027674 PNMMMM C29H51N7O8S4 753.2682 NA PeJP NA NA +PJ027675 GPTCCHH C29H43N11O9S2 753.2687 NA PeJP NA NA +PJ027676 CCNQMR C26H47N11O9S3 753.2721 NA PeJP NA NA +PJ027677 GSSSCQW C30H43N9O12S 753.2752 NA PeJP NA NA +PJ027678 GSSSSSNE C26H43N9O17 753.2777 NA PeJP NA NA +PJ027679 SDDMMR C27H47N9O12S2 753.2786 NA PeJP NA NA +PJ027680 GPCEYW C35H43N7O10S 753.2792 NA PeJP NA NA +PJ027681 GQEEEY C31H43N7O15 753.2817 NA PeJP NA NA +PJ027682 GGAEEEY C31H43N7O15 753.2818 NA PeJP NA NA +PJ027683 GTEMMW C32H47N7O10S2 753.2826 NA PeJP NA NA +PJ027684 CCCNRR C25H47N13O8S3 753.2833 NA PeJP NA NA +PJ027685 GSTTEEM C28H47N7O15S 753.2851 NA PeJP NA NA +PJ027686 VNEMMM C29H51N7O10S3 753.286 NA PeJP NA NA +PJ027687 SNEMHH C29H43N11O11S 753.2864 NA PeJP NA NA +PJ027688 GGSEMHH C29H43N11O11S 753.2865 NA PeJP NA NA +PJ027689 MMFYY C37H47N5O8S2 753.2866 NA PeJP NA NA +MJ093128 (2-Benzoylphenyl)methyl 4-ethyl-1-[[3-fluoro-2'-[[[(3-methylbutoxy)carbonyl]amino]sulfonyl][1,1'-biphenyl]-4-yl]methyl]-2-propyl-1H-imidazole-5-carboxylate C42H44FN3O7S 753.288399 NA MeJP NA NA +PJ027690 GSSCNMR C26H47N11O11S2 753.2898 NA PeJP NA NA +PJ027691 GCNQFW C34H43N9O9S 753.2905 NA PeJP NA NA +PJ027692 SSSSSNW C30H43N9O14 753.293 NA PeJP NA NA +PJ027693 SCCQKW C31H47N9O9S2 753.2938 NA PeJP NA NA +PJ027694 GGTCCKW C31H47N9O9S2 753.2939 NA PeJP NA NA +PJ027695 PCYWW C39H43N7O7S 753.2945 NA PeJP NA NA +PJ027696 SSSSQQM C27H47N9O14S 753.2963 NA PeJP NA NA +PJ027697 GGGGSSTTM C27H47N9O14S 753.2964 NA PeJP NA NA +PJ027698 QEEYW C35H43N7O12 753.297 NA PeJP NA NA +PJ027699 GEMMMR C28H51N9O9S3 753.2972 NA PeJP NA NA +PJ027700 SCDHHR C28H43N13O10S 753.2977 NA PeJP NA NA +PJ027701 TMMWW C36H47N7O7S2 753.2979 NA PeJP NA NA +MJ093129 Rifamycin O C39H47NO14 753.299655 NA MeJP NA NA +MJ093130 Streptovaricin F C39H47NO14 753.299655 NA MeJP NA NA +MetaCyc04102 rifamycin-O [] C39H47N1O14 753.299655 14487-05-9 metacyc NA NA +C01849 Rifamycin O C39H47NO14 753.2997 NA KEGG NA NA +PJ027702 STTEMW C32H47N7O12S 753.3004 NA PeJP NA NA +PJ027703 DFFYY C40H43N5O10 753.301 NA PeJP NA NA +PJ027704 GVMMMW C33H51N7O7S3 753.3012 NA PeJP NA NA +PJ027705 GSMHHW C33H43N11O8S 753.3017 NA PeJP NA NA +PJ027706 SSTTTEE C28H47N7O17 753.3029 NA PeJP NA NA +PJ027707 SKEEMM C29H51N7O12S2 753.3037 NA PeJP NA NA +PJ027708 PDDDHR C29H43N11O13 753.3042 NA PeJP NA NA +PJ027709 AQMMHH C30H47N11O8S2 753.3051 NA PeJP NA NA +PJ027710 SSSSCQR C26H47N11O13S 753.3076 NA PeJP NA NA +PJ027711 DDRYW C34H43N9O11 753.3082 NA PeJP NA NA +PJ027712 CCNKMR C27H51N11O8S3 753.3085 NA PeJP NA NA +PJ027713 GSSSCKW C31H47N9O11S 753.3116 NA PeJP NA NA +PJ027714 AEYWW C39H43N7O9 753.3122 NA PeJP NA NA +PJ027715 MMMRW C32H51N9O6S3 753.3125 NA PeJP NA NA +PJ027716 GSSSSSDK C27H47N9O16 753.3141 NA PeJP NA NA +PJ027717 STEMMR C28H51N9O11S2 753.315 NA PeJP NA NA +PJ027718 NNNQQH C28H43N13O12 753.3154 NA PeJP NA NA +PJ027719 GGGGNQQH C28H43N13O12 753.3155 NA PeJP NA NA +PJ027720 GPTMYW C36H47N7O9S 753.3156 NA PeJP NA NA +PJ027721 ACMHHR C29H47N13O7S2 753.3163 NA PeJP NA NA +PJ027722 GKEEEY C32H47N7O14 753.3181 NA PeJP NA NA +PJ027723 SSLMMW C33H51N7O9S2 753.319 NA PeJP NA NA +PJ027724 SSTHHW C33H43N11O10 753.3195 NA PeJP NA NA +PJ027725 MFFFY C41H47N5O7S 753.3196 NA PeJP NA NA +PJ027726 SSSTLEM C29H51N7O14S 753.3215 NA PeJP NA NA +PJ027727 VDKMMM C30H55N7O9S3 753.3224 NA PeJP NA NA +PJ027728 GNNMRY C30H47N11O10S 753.3228 NA PeJP NA NA +PJ027729 GGGGGMRY C30H47N11O10S 753.3229 NA PeJP NA NA +PJ027730 PEHWW C38H43N9O8 753.3235 NA PeJP NA NA +PJ027731 GSSSSSSR C26H47N11O15 753.3253 NA PeJP NA NA +PJ027732 GSTCCKR C27H51N11O10S2 753.3262 NA PeJP NA NA +PJ027733 DMFRW C35H47N9O8S 753.3269 NA PeJP NA NA +PJ027734 STQQQY C31H47N9O13 753.3293 NA PeJP NA NA +PJ027735 GTEERY C31H47N9O13 753.3294 NA PeJP NA NA +PJ027736 SCCKKW C32H51N9O8S2 753.3302 NA PeJP NA NA +PJ027737 CLFWW C40H47N7O6S 753.3309 NA PeJP NA NA +PJ027738 SSSSQKM C28H51N9O13S 753.3327 NA PeJP NA NA +PJ027739 KEEYW C36H47N7O11 753.3334 NA PeJP NA NA +PJ027740 SVMMMR C29H55N9O8S3 753.3336 NA PeJP NA NA +PJ027741 SSMHHR C29H47N13O9S 753.3341 NA PeJP NA NA +PJ027742 QHHFW C37H43N11O7 753.3347 NA PeJP NA NA +MJ093131 Cosmomycin B; 3''-Deoxy, 4'''-ketone C40H51NO13 753.33604 NA MeJP NA NA +MJ093132 Streptovaricin; Streptovaricin C, 24-Deoxy C40H51NO13 753.33604 NA MeJP NA NA +PJ027743 SPKEMY C33H51N7O11S 753.3367 NA PeJP NA NA +PJ027744 GAALEMY C33H51N7O11S 753.3368 NA PeJP NA NA +PJ027745 VFYYY C41H47N5O9 753.3374 NA PeJP NA NA +PJ027746 TTTTTTE C29H51N7O16 753.3392 NA PeJP NA NA +PJ027747 GTTTLMM C30H55N7O11S2 753.3401 NA PeJP NA NA +PJ027748 SSNQRY C30H47N11O12 753.3406 NA PeJP NA NA +PJ027749 AKMMHH C31H51N11O7S2 753.3415 NA PeJP NA NA +PJ027750 SSSSCKR C27H51N11O12S 753.344 NA PeJP NA NA +PJ027751 TERYW C35H47N9O10 753.3446 NA PeJP NA NA +PJ027752 GVEMRY C32H51N9O10S 753.348 NA PeJP NA NA +PJ027753 SLYWW C40H47N7O8 753.3486 NA PeJP NA NA +PJ027754 GSSSSTTK C28H51N9O15 753.3505 NA PeJP NA NA +PJ027755 GSTCKKM C29H55N9O10S2 753.3514 NA PeJP NA NA +PJ027756 GQQEHR C29H47N13O11 753.3518 NA PeJP NA NA +PJ027757 GGGAAEHR C29H47N13O11 753.3519 NA PeJP NA NA +PJ027758 AALMYW C37H51N7O8S 753.352 NA PeJP NA NA +PJ027759 FFFFF C45H47N5O6 753.3527 NA PeJP NA NA +PJ027760 SVKEEY C33H51N7O13 753.3545 NA PeJP NA NA +PJ027761 PCLKMY C34H55N7O8S2 753.3554 NA PeJP NA NA +PJ027762 AVNQHW C34H47N11O9 753.3558 NA PeJP NA NA +PJ027763 GVQQHW C34H47N11O9 753.3559 NA PeJP NA NA +PJ027764 STTTTLM C30H55N7O13S 753.3579 NA PeJP NA NA +PJ027765 TLKMMM C31H59N7O8S3 753.3588 NA PeJP NA NA +PJ027766 EMRRY C31H51N11O9S 753.3592 NA PeJP NA NA +PJ027767 APPHFW C39H47N9O7 753.3599 NA PeJP NA NA +PJ027768 GNDHRR C28H47N15O10 753.3631 NA PeJP NA NA +PJ027769 VMRYW C36H51N9O7S 753.3632 NA PeJP NA NA +PJ027770 APLMHW C36H51N9O7S 753.3633 NA PeJP NA NA +PJ027771 SSLERY C32H51N9O12 753.3657 NA PeJP NA NA +PJ027772 GGGATTKY C32H51N9O12 753.3658 NA PeJP NA NA +PJ027773 GLMMFR C33H55N9O7S2 753.3666 NA PeJP NA NA +2646 synthetic fr, of human beta-CN (192-197) ACE inhibitor PHQIYP 753.367 NA Inhouse_peptide NA peptide +PJ027774 QQHRW C33H47N13O8 753.3671 NA PeJP NA NA +PJ027775 SSSSKKM C29H55N9O12S 753.3691 NA PeJP NA NA +PJ027776 ATTLYW C37H51N7O10 753.3698 NA PeJP NA NA +PJ027777 PCNKHR C30H51N13O8S 753.3705 NA PeJP NA NA +PJ027778 KHHFW C38H47N11O6 753.3711 NA PeJP NA NA +MJ093133 4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-(2-Acetoxy-3-dimethylamino-3-phenylpropenoyl), 7,9,10,13-tetra-Ac C41H55NO12 753.372426 NA MeJP NA NA +PJ027779 ALKEMY C34H55N7O10S 753.3731 NA PeJP NA NA +PJ027780 PPPVVDM C34H55N7O10S 753.3732 NA PeJP NA NA +PJ027781 SSNKRY C31H51N11O11 753.377 NA PeJP NA NA +PJ027782 APHHHR C32H47N15O7 753.3783 NA PeJP NA NA +PJ027783 GLLEHW C36H51N9O9 753.381 NA PeJP NA NA +PJ027784 ATLMRY C33H55N9O9S 753.3844 NA PeJP NA NA +PJ027785 AALFFW C41H51N7O7 753.385 NA PeJP NA NA +PJ027786 PPNDRR C30H51N13O10 753.3882 NA PeJP NA NA +PJ027787 PCLKFF C38H55N7O7S 753.3884 NA PeJP NA NA +PJ027788 TTLKEY C34H55N7O12 753.3909 NA PeJP NA NA +PJ027789 VVKMMF C35H59N7O7S2 753.3918 NA PeJP NA NA +PJ027790 APPQRW C35H51N11O8 753.3922 NA PeJP NA NA +PJ027791 GAAPPRW C35H51N11O8 753.3923 NA PeJP NA NA +PJ027792 GCKKRY C32H55N11O8S 753.3956 NA PeJP NA NA +PJ027793 LLHWW C40H51N9O6 753.3963 NA PeJP NA NA +PJ027794 GTQHRR C29H51N15O9 753.3995 NA PeJP NA NA +PJ027795 TTTLRY C33H55N9O11 753.4021 NA PeJP NA NA +PJ027796 GGGGSPPLL C33H55N9O11 753.4022 NA PeJP NA NA +PJ027797 QKHRW C34H51N13O7 753.4035 NA PeJP NA NA +PJ027798 ALLQFY C38H55N7O9 753.4061 NA PeJP NA NA +PJ027799 PPLLEW C38H55N7O9 753.4062 NA PeJP NA NA +PJ027800 SLLKMY C35H59N7O9S 753.4095 NA PeJP NA NA +MJ093134 Vinblastine; 16-De(methoxycarbonyl), 16-carbamoyl, O-de-Ac C43H55N5O7 753.410149 NA MeJP NA NA +PJ027801 SLLEHR C32H55N11O10 753.4134 NA PeJP NA NA +PJ027802 SVLLHW C37H55N9O8 753.4174 NA PeJP NA NA +PJ027803 GKKKMY C34H59N9O8S 753.4208 NA PeJP NA NA +PJ027804 PPTQRR C31H55N13O9 753.4246 NA PeJP NA NA +PJ027805 SPPVLLE C35H59N7O11 753.4273 NA PeJP NA NA +PJ027806 APPKRW C36H55N11O7 753.4286 NA PeJP NA NA +MJ093135 Ahpatinin G C40H59N5O9 753.431278 NA MeJP NA NA +MJ093136 Antibiotic L 174580 C40H59N5O9 753.431278 NA MeJP NA NA +PJ027807 VVLMHR C33H59N11O7S 753.432 NA PeJP NA NA +PJ027808 GTKHRR C30H55N15O8 753.4358 NA PeJP NA NA +PJ027809 STKKKY C34H59N9O10 753.4385 NA PeJP NA NA +PJ027810 KKHRW C35H55N13O6 753.4399 NA PeJP NA NA +PJ027811 ALLKFY C39H59N7O8 753.4425 NA PeJP NA NA +PJ027812 PPPVVVF C39H59N7O8 753.4426 NA PeJP NA NA +PJ027813 APPLLLM C36H63N7O8S 753.4459 NA PeJP NA NA +PJ027814 PPKKER C33H59N11O9 753.4498 NA PeJP NA NA +PJ027815 PPVKKW C38H59N9O7 753.4538 NA PeJP NA NA +PJ027816 LLLKMH C35H63N9O7S 753.4572 NA PeJP NA NA +HMDB12350 PS(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C40H68NO10P 753.458069 NA HMDB2010 NA NA +HMDB12430 PS(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)) C40H68NO10P 753.458069 NA HMDB2010 NA NA +PJ027817 PPTKRR C32H59N13O8 753.461 NA PeJP NA NA +PJ027818 GPLLLLE C36H63N7O10 753.4637 NA PeJP NA NA +MJ093137 16,28-Secosolanid-5-ene-3,16-diol, N-Me, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C40H67NO12 753.466326 NA MeJP NA NA +MJ093138 Rhinolidine; 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C40H67NO12 753.466326 NA MeJP NA NA +PJ027819 GPLRRR C31H59N15O7 753.4722 NA PeJP NA NA +PJ027820 APPTLKK C35H63N9O9 753.4749 NA PeJP NA NA +PJ027821 PLLLLW C40H63N7O7 753.4789 NA PeJP NA NA +PJ027822 PLLQKR C34H63N11O8 753.4861 NA PeJP NA NA +PJ027823 PVVKRR C33H63N13O7 753.4974 NA PeJP NA NA +PJ027824 SPVLLLL C37H67N7O9 753.5001 NA PeJP NA NA +PJ027825 GPVLLKK C36H67N9O8 753.5113 NA PeJP NA NA +PJ027826 PLLKKR C35H67N11O7 753.5225 NA PeJP NA NA +EUR930 PC 32:1 [M+Na]+ C40H78NO8P 753.528453 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR930 PC 32:1 [M+Na]+ C40H78NO8P 753.528453 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR930 PC 32:1 [M+Na]+ C40H78NO8P 753.528453 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR930 PC 32:1 [M+Na]+ C40H78NO8P 753.528453 masses lipides attendues Inhousejuil11 NA NA +EUR954 PC 34:4 monoisotopic mass C42H76NO8P 753.530857 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR954 PC 34:4 monoisotopic mass C42H76NO8P 753.530857 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR954 PC 34:4 monoisotopic mass C42H76NO8P 753.530857 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR954 PC 34:4 monoisotopic mass C42H76NO8P 753.530857 masses lipides attendues Inhousejuil11 NA NA +HMDB07883 PC(14:0/20:4(5Z,8Z,11Z,14Z)) C42H76NO8P 753.530884 NA HMDB2010 NA NA +HMDB07884 PC(14:0/20:4(8Z,11Z,14Z,17Z)) C42H76NO8P 753.530884 NA HMDB2010 NA NA +HMDB07914 PC(14:1(9Z)/20:3(5Z,8Z,11Z)) C42H76NO8P 753.530884 NA HMDB2010 NA NA +HMDB07915 PC(14:1(9Z)/20:3(8Z,11Z,14Z)) C42H76NO8P 753.530884 NA HMDB2010 NA NA +HMDB07976 PC(16:0/18:4(6Z,9Z,12Z,15Z)) C42H76NO8P 753.530884 NA HMDB2010 NA NA +HMDB08007 PC(16:1(9Z)/18:3(6Z,9Z,12Z)) C42H76NO8P 753.530884 NA HMDB2010 NA NA +HMDB08008 PC(16:1(9Z)/18:3(9Z,12Z,15Z)) C42H76NO8P 753.530884 NA HMDB2010 NA NA +HMDB08167 PC(18:3(6Z,9Z,12Z)/16:1(9Z)) C42H76NO8P 753.530884 NA HMDB2010 NA NA +HMDB08200 PC(18:3(9Z,12Z,15Z)/16:1(9Z)) C42H76NO8P 753.530884 NA HMDB2010 NA NA +HMDB08232 PC(18:4(6Z,9Z,12Z,15Z)/16:0) C42H76NO8P 753.530884 NA HMDB2010 NA NA +HMDB08362 PC(20:3(5Z,8Z,11Z)/14:1(9Z)) C42H76NO8P 753.530884 NA HMDB2010 NA NA +HMDB08395 PC(20:3(8Z,11Z,14Z)/14:1(9Z)) C42H76NO8P 753.530884 NA HMDB2010 NA NA +HMDB08426 PC(20:4(5Z,8Z,11Z,14Z)/14:0) C42H76NO8P 753.530884 NA HMDB2010 NA NA +HMDB08459 PC(20:4(8Z,11Z,14Z,17Z)/14:0) C42H76NO8P 753.530884 NA HMDB2010 NA NA +HMDB08910 PE(15:0/22:4(7Z,10Z,13Z,16Z)) C42H76NO8P 753.530884 NA HMDB2010 NA NA +HMDB09582 PE(22:4(7Z,10Z,13Z,16Z)/15:0) C42H76NO8P 753.530884 NA HMDB2010 NA NA +PJ027827 GLLLLLL C38H71N7O8 753.5364 NA PeJP NA NA +PJ027828 GILLLLL C38H71N7O8 753.5365 NA PeJP NA NA +HMDB09314 PE(20:2(11Z,14Z)/P-18:1(11Z)) C43H80NO7P 753.567261 NA HMDB2010 NA NA +HMDB09315 PE(20:2(11Z,14Z)/P-18:1(9Z)) C43H80NO7P 753.567261 NA HMDB2010 NA NA +HMDB09346 PE(20:3(5Z,8Z,11Z)/P-18:0) C43H80NO7P 753.567261 NA HMDB2010 NA NA +HMDB09379 PE(20:3(8Z,11Z,14Z)/P-18:0) C43H80NO7P 753.567261 NA HMDB2010 NA NA +HMDB11383 PE(P-18:0/20:3(5Z,8Z,11Z)) C43H80NO7P 753.567261 NA HMDB2010 NA NA +HMDB11384 PE(P-18:0/20:3(8Z,11Z,14Z)) C43H80NO7P 753.567261 NA HMDB2010 NA NA +HMDB11415 PE(P-18:1(11Z)/20:2(11Z,14Z)) C43H80NO7P 753.567261 NA HMDB2010 NA NA +HMDB11448 PE(P-18:1(9Z)/20:2(11Z,14Z)) C43H80NO7P 753.567261 NA HMDB2010 NA NA +MJ093139 (2-Pyridinylmethylene)di-4,1-phenylene hexadecanoate C50H75NO4 753.569609 NA MeJP NA NA +MJ093140 2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxyoctadecanoyl), 1-O-?-D-glucopyranoside C43H79NO9 753.575483 NA MeJP NA NA +EUR1075 SM(d18:1/18:0) [M+Na]+ C41H84N2O6P 753.588647 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1075 SM(d18:1/18:0) [M+Na]+ C41H84N2O6P 753.588647 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1075 SM(d18:1/18:0) [M+Na]+ C41H84N2O6P 753.588647 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1075 SM(d18:1/18:0) [M+Na]+ C41H84N2O6P 753.588647 masses lipides attendues Inhousejuil11 NA NA +MJ093141 2-Amino-1,3,4-octadecanetriol, N-(2-Hydroxynonacosanoyl) C47H95NO5 753.721025 NA MeJP NA NA +MJ093142 Verticillin D; 13-Ketone C32H30N6O8S4 754.100794 NA MeJP NA NA +MJ093143 4'',6''-Hexahydroxydiphenoylsalidroside; (S)axial-form, 3''-O-(3,4,5-Trihydroxybenzoyl) C35H30O19 754.138128 NA MeJP NA NA +MJ093144 4-Glucosyloxy-8-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)pyrano[4,3,2-de]-1-benzopyrylium(1+); 6'''-O-(4-Hydroxycinnamoyl)(E-) C40H35O15(+) 754.18977 NA MeJP NA NA +FL3FADGS0026 Chrysoeriol 7-(3'',6''-di-(E)-p-coumaroylglucoside);7-[[3,6-Bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C40H34O15 754.18977 625409-67-8 knapsack NA NA +PJ027829 GCCNDDE C25H38N8O15S2 754.1898 NA PeJP NA NA +PJ027830 GGGCCDDE C25H38N8O15S2 754.1899 NA PeJP NA NA +FL3FACGS0048 Luteolin 7-glucuronide-3',4'-dirhamnoside C33H38O20 754.19564 58970-77-7 knapsack NA NA +FL5FAAGL0085 Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside;3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C33H38O20 754.19564 157407-85-7 knapsack NA NA +FL5FAIGA0003 Syringetin 3-(4''',6'''-diacetylglucosyl)(1->3)-galactoside C33H38O20 754.19564 - knapsack NA NA +FL5FCCGS0012 Quercetin 7-methyl ether 3-[3-hydroxy-3-methylglutaryl-(1->6)]-[apiosyl-(1->2)-galactoside];Rhamnetin 3-[3-hydroxy-3-methylglutaryl-(1->6)]-[apiosyl-(1->2)-galactoside];3-[[2-O-D-Apio-beta-D-furanosyl-6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C33H38O20 754.19564 419547-83-4 knapsack NA NA +MJ093145 3',4',5,7-Tetrahydroxyflavone; 3',4'-Di-O-?-L-rhamnopyranoside, 7-O-?-D-glucuronopyranoside C33H38O20 754.195643 NA MeJP NA NA +MJ093146 Astragalin; 6''-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl), 7-O-?-D-glucopyranoside C33H38O20 754.195643 NA MeJP NA NA +PJ027831 CCNDDW C29H38N8O12S2 754.2051 NA PeJP NA NA +PJ027832 SSCNDDD C25H38N8O17S 754.2076 NA PeJP NA NA +PJ027833 SPCCCNE C26H42N8O12S3 754.2085 NA PeJP NA NA +PJ027834 CCMMMH C27H46N8O7S5 754.2093 NA PeJP NA NA +FL3FCACS0023 Spinosin 6'''-(E)-p-coumarate;Swertisin 6'''-O-p-coumaroyl 2''-O-glucoside C37H38O17 754.21089 77690-93-8 knapsack NA NA +MJ093147 Isomollupentin; 4',7-Di-Me ether, 2''-O-(O-caffeoyl-?-D-glucopyranoside) C37H38O17 754.210899 NA MeJP NA NA +MJ093148 Swertisin; 2''-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl] C37H38O17 754.210899 NA MeJP NA NA +MJ093149 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[Cinnamoyl-(??)-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside]] C37H39O17(+) 754.210899 NA MeJP NA NA +PJ027835 TCCCYY C31H42N6O10S3 754.2125 NA PeJP NA NA +PJ027836 DDDEMM C27H42N6O15S2 754.215 NA PeJP NA NA +PJ027837 GCCNNNM C25H42N10O11S3 754.2197 NA PeJP NA NA +PJ027838 GSPCCCW C30H42N8O9S3 754.2237 NA PeJP NA NA +PJ027839 GSCNDEM C26H42N8O14S2 754.2262 NA PeJP NA NA +PJ027840 GPCCNMM C27H46N8O9S4 754.2271 NA PeJP NA NA +PJ027841 DDDDEF C30H38N6O17 754.2294 NA PeJP NA NA +FL3FABCS0007 2'''-O-Rhamnosyl-2''-O-glucosylcytisoside C34H42O19 754.23202 188342-34-9 knapsack NA NA +FL3FABGS0016 Acacetin 7-O-[2'''-O-rhamnosyl-2''-O-glucosylglucoside;7-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C34H42O19 754.23202 188342-32-7 knapsack NA NA +FL3FAEGS0009 Luteolin 4'-methyl ether 7-(4G-rhamnosylneohesperidoside) C34H42O19 754.23202 69414-01-3 knapsack NA NA +FL3FAEGS0012 Diosmetin 7-(2'',6''-dirhamnosyl)-glucoside;7-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one C34H42O19 754.23202 211989-29-6 knapsack NA NA +FL3FCADS0007 Swertisin 4'-O-glucoside-2''-O-rhamnoside C34H42O19 754.23202 225650-03-3 knapsack NA NA +FL5FABGS0011 Kaempferol 4'-methyl ether 3-(4Rha-rhamnosylrutinoside);3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C34H42O19 754.23202 194657-34-6 knapsack NA NA +FL5FCAGS0005 Rhamnocitrin 3-rhamninoside C34H42O19 754.23202 39723-40-5 knapsack NA NA +FL5FCAGS0006 Rhamnocitrin 3-isorhamninoside C34H42O19 754.23202 73519-10-5 knapsack NA NA +MJ093150 3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C34H42O19 754.232029 NA MeJP NA NA +MJ093151 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C34H42O19 754.232029 NA MeJP NA NA +MJ093152 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C34H42O19 754.232029 NA MeJP NA NA +MJ093153 3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C34H42O19 754.232029 NA MeJP NA NA +MJ093154 3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C34H42O19 754.232029 NA MeJP NA NA +MJ093155 3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-L-rhamnopyranoside C34H42O19 754.232029 NA MeJP NA NA +MJ093156 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C34H42O19 754.232029 NA MeJP NA NA +MJ093157 6-O-?-D-Glucopyranosyl-D-glucose; ?-Pyranose-form, 1,2-Bis-O-(4-hydroxy-3,5-dimethoxycinnamoyl) C34H42O19 754.232029 NA MeJP NA NA +MJ093158 Raphanusol A C34H42O19 754.232029 NA MeJP NA NA +MJ093159 Sucrose; 1',3'-Bis-O-(4-hydroxy-3,5-dimethoxycinnamoyl) C34H42O19 754.232029 NA MeJP NA NA +MJ093160 Sucrose; 3',4-Bis-O-(4-hydroxy-3,5-dimethoxy-E-cinnamoyl) C34H42O19 754.232029 NA MeJP NA NA +MJ093161 Sucrose; 3',6-Bis-O-(4-hydroxy-3,5-dimethoxycinnamoyl) C34H42O19 754.232029 NA MeJP NA NA +MJ093162 Vitexin; 4'-Me ether, 2''-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl] C34H42O19 754.232029 NA MeJP NA NA +PJ027842 CDDEHH C28H38N10O13S 754.2341 NA PeJP NA NA +MJ093163 Berpodine C40H38N2O13 754.237389 NA MeJP NA NA +PJ027843 SSCCNNQ C25H42N10O13S2 754.2374 NA PeJP NA NA +PJ027844 GSCCDDR C25H42N10O13S2 754.2375 NA PeJP NA NA +PJ027845 APCCCCR C26H46N10O8S4 754.2383 NA PeJP NA NA +PJ027846 NNDDDY C29H38N8O16 754.2406 NA PeJP NA NA +PJ027847 SCNDMW C30H42N8O11S2 754.2415 NA PeJP NA NA +MJ093164 Lipopurealins; Lipopurealin C C33H52Br2N6O4 754.241679 NA MeJP NA NA +PJ027848 SSSNDDM C26H42N8O16S 754.244 NA PeJP NA NA +PJ027849 NNDMMM C27H46N8O11S3 754.2448 NA PeJP NA NA +PJ027850 GGNDMMM C27H46N8O11S3 754.2449 NA PeJP NA NA +PJ027851 GCCFYY C35H42N6O9S2 754.2455 NA PeJP NA NA +MJ093165 Ferrichrome C C28H44FeN9O12 754.245885 NA MeJP NA NA +MJ093166 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-6-O-E-cinnamoyl-?-D-glucopyranoside] C38H42O16 754.247285 NA MeJP NA NA +MJ093167 3,3'-Diacetyl-4,4',5,5'-tetrahydroxy-2,2'-dimethyl-1,1'-binaphthalene; 5,5'-Di-O-?-D-glucopyranoside C38H42O16 754.247285 NA MeJP NA NA +PJ027852 PDDDMY C31H42N6O14S 754.248 NA PeJP NA NA +PJ027853 SEEEMM C28H46N6O14S2 754.2514 NA PeJP NA NA +PJ027854 PDMMMM C29H50N6O9S4 754.2522 NA PeJP NA NA +PJ027855 GSSSSCNN C25H42N10O15S 754.2552 NA PeJP NA NA +PJ027856 CCNEMR C26H46N10O10S3 754.2561 NA PeJP NA NA +PJ027857 GTCCWW C34H42N8O8S2 754.2567 NA PeJP NA NA +PJ027858 GSSSCEW C30H42N8O13S 754.2592 NA PeJP NA NA +PJ027859 GGGGDDMF C30H42N8O13S 754.2593 NA PeJP NA NA +PJ027860 GCQMMW C31H46N8O8S3 754.2601 NA PeJP NA NA +PJ027861 GSSSSSDE C26H42N8O18 754.2617 NA PeJP NA NA +PJ027862 GSSNEMM C27H46N8O13S2 754.2626 NA PeJP NA NA +PJ027863 GSCYYY C35H42N6O11S 754.2632 NA PeJP NA NA +PJ027864 APCCCKM C28H50N8O8S4 754.2635 NA PeJP NA NA +PJ027865 CNNMHH C28H42N12O9S2 754.2639 NA PeJP NA NA +PJ027866 GGCNMHH C28H42N12O9S2 754.264 NA PeJP NA NA +PJ027867 GEEEEY C31H42N6O16 754.2658 NA PeJP NA NA +PJ027868 PDDMMF C32H46N6O11S2 754.2666 NA PeJP NA NA +PJ027869 CCCDRR C25H46N12O9S3 754.2673 NA PeJP NA NA +MJ093168 2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?3)-[4-hydroxy-3-methoxycinnamoyl-(?4)]-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C35H46O18 754.268414 NA MeJP NA NA +MJ093169 Bruceolide; 15-O-(4-Acetoxy-4-methyl-2E-pentenoyl), 3-O-?-D-glucopyranoside C35H46O18 754.268414 NA MeJP NA NA +MJ093170 Bruceosin; 18-Carboxylic acid, 15-deacyl, 15-(4-acetoxy-3,4-dimethyl-2E-pentenoyl), 2-O-?-D-glucopyranoside C35H46O18 754.268414 NA MeJP NA NA +PJ027870 VDEMMM C29H50N6O11S3 754.27 NA PeJP NA NA +PJ027871 CNNNQY C29H42N10O12S 754.2705 NA PeJP NA NA +PJ027872 GCCMRW C30H46N10O7S3 754.2713 NA PeJP NA NA +PJ027873 GSSCDMR C26H46N10O12S2 754.2738 NA PeJP NA NA +PJ027874 SSSCWW C34H42N8O10S 754.2745 NA PeJP NA NA +PJ027875 SSSSSDW C30H42N8O15 754.277 NA PeJP NA NA +PJ027876 STCQMW C31H46N8O10S2 754.2778 NA PeJP NA NA +PJ027877 SSNMMW C31H46N8O10S2 754.2779 NA PeJP NA NA +PJ027878 SSTTCQE C27H46N8O15S 754.2803 NA PeJP NA NA +PJ027879 SSSSQEM C27H46N8O15S 754.2804 NA PeJP NA NA +PJ027880 EEEYW C35H42N6O13 754.281 NA PeJP NA NA +PJ027881 SQQMMM C28H50N8O10S3 754.2812 NA PeJP NA NA +PJ027882 GSSCQHH C28H42N12O11S 754.2817 NA PeJP NA NA +MJ093171 12,17-Epoxy-2,5,7,9,10,11,19-heptahydroxy-4(20)-taxen-13-one, 5-Cinnamoyl(E-), 2,7,9,10,19-penta-Ac C39H46O15 754.28367 NA MeJP NA NA +PJ027883 SPEEMY C32H46N6O13S 754.2844 NA PeJP NA NA +PJ027884 PCDHHF C33H42N10O9S 754.2857 NA PeJP NA NA +PJ027885 GSSNNNY C29H42N10O14 754.2882 NA PeJP NA NA +PJ027886 STCCRW C30H46N10O9S2 754.2891 NA PeJP NA NA +PJ027887 CNFWW C38H42N8O7S 754.2897 NA PeJP NA NA +PJ027888 GGCFWW C38H42N8O7S 754.2898 NA PeJP NA NA +PJ027889 SSSSCER C26H46N10O14S 754.2916 NA PeJP NA NA +PJ027890 GSNEYW C34H42N8O12 754.2922 NA PeJP NA NA +PJ027891 GGGSEYW C34H42N8O12 754.2923 NA PeJP NA NA +PJ027892 SCQMMR C27H50N10O9S3 754.2925 NA PeJP NA NA +PJ027893 ACMHFF C35H46N8O7S2 754.2931 NA PeJP NA NA +PJ027894 GSSSTMW C31H46N8O12S 754.2956 NA PeJP NA NA +PJ027895 GCKMMW C32H50N8O7S3 754.2965 NA PeJP NA NA +PJ027896 GSSSSTTE C27H46N8O17 754.2981 NA PeJP NA NA +MJ093172 Antibiotic AS 186C C43H46O12 754.298926 NA MeJP NA NA +PJ027897 GSSDKMM C28H50N8O12S2 754.299 NA PeJP NA NA +PJ027898 SSSSNHH C28H42N12O13 754.2995 NA PeJP NA NA +PJ027899 PPCEFY C36H46N6O10S 754.2996 NA PeJP NA NA +PJ027900 CCQKHH C29H46N12O8S2 754.3003 NA PeJP NA NA +PJ027901 SVEEEY C32H46N6O15 754.3021 NA PeJP NA NA +PJ027902 PVDMMY C33H50N6O10S2 754.303 NA PeJP NA NA +PJ027903 SPNDHW C33H42N10O11 754.3035 NA PeJP NA NA +PJ027904 SCCMRR C26H50N12O8S3 754.3037 NA PeJP NA NA +MJ093173 Carboxyparquin; 19-Decarboxy C36H50O17 754.3048 NA MeJP NA NA +MJ093174 Esulatin C C36H50O17 754.3048 NA MeJP NA NA +MJ093175 Terracinolide A; 13?-Hydroxy, 6-debenzoyl, 15-de-Ac, 6-Ac C36H50O17 754.3048 NA MeJP NA NA +MJ093176 Nannochelin C; 1-Me ester C37H46N4O13 754.306137 NA MeJP NA NA +PJ027905 TLEMMM C30H54N6O10S3 754.3064 NA PeJP NA NA +PJ027906 ACNERY C30H46N10O11S 754.3068 NA PeJP NA NA +PJ027907 GNDMRY C30H46N10O11S 754.3069 NA PeJP NA NA +PJ027908 SNYWW C38H42N8O9 754.3075 NA PeJP NA NA +PJ027909 GMHHHH C31H42N14O7S 754.3082 NA PeJP NA NA +PJ027910 GSSSMMR C27H50N10O11S2 754.3102 NA PeJP NA NA +PJ027911 QQMYW C35H46N8O9S 754.3109 NA PeJP NA NA +PJ027912 SSSSTTW C31H46N8O14 754.3134 NA PeJP NA NA +PJ027913 STCKMW C32H50N8O9S2 754.3142 NA PeJP NA NA +PJ027914 GGPCKMY C32H50N8O9S2 754.3143 NA PeJP NA NA +PJ027915 GNNQHW C32H42N12O10 754.3147 NA PeJP NA NA +PJ027916 SSSSKEM C28H50N8O14S 754.3167 NA PeJP NA NA +MJ093177 Phomopsin A; Dechloro C36H46N6O12 754.31737 NA MeJP NA NA +PJ027917 SPPEYY C36H46N6O12 754.3174 NA PeJP NA NA +PJ027918 SQKMMM C29H54N8O9S3 754.3176 NA PeJP NA NA +PJ027919 PCNEHR C29H46N12O10S 754.3181 NA PeJP NA NA +PJ027920 EHHFW C37H42N10O8 754.3187 NA PeJP NA NA +MJ093178 Zaragozic acid C C40H50O14 754.320056 NA MeJP NA NA +MetaCyc04103 zaragozic acid C [] C40H50O14 754.320056 NA metacyc NA NA +PJ027921 ALEEMY C33H50N6O12S 754.3208 NA PeJP NA NA +PJ027922 PVMMMF C34H54N6O7S3 754.3216 NA PeJP NA NA +PJ027923 CQRYW C34H46N10O8S 754.3221 NA PeJP NA NA +PJ027924 SSNERY C30H46N10O13 754.3246 NA PeJP NA NA +PJ027925 VLMMMM C31H58N6O7S4 754.325 NA PeJP NA NA +PJ027926 GNMMFR C31H50N10O8S2 754.3255 NA PeJP NA NA +PJ027927 STHHHH C31H42N14O9 754.3259 NA PeJP NA NA +PJ027928 PNNHHH C31H42N14O9 754.326 NA PeJP NA NA +PJ027929 SSSSTMR C27H50N10O13S 754.328 NA PeJP NA NA +PJ027930 GSDKYW C35H46N8O11 754.3286 NA PeJP NA NA +PJ027931 GGGAAEFF C35H46N8O11 754.3287 NA PeJP NA NA +PJ027932 SCKMMR C28H54N10O8S3 754.3289 NA PeJP NA NA +PJ027933 GQKEMY C32H50N8O11S 754.332 NA PeJP NA NA +PJ027934 GPCHRW C33H46N12O7S 754.3334 NA PeJP NA NA +PJ027935 SSSSSSTL C28H50N8O16 754.3345 NA PeJP NA NA +PJ027936 GSTTKMM C29H54N8O11S2 754.3354 NA PeJP NA NA +PJ027937 ANEEHR C29H46N12O12 754.3358 NA PeJP NA NA +PJ027938 GQEEHR C29H46N12O12 754.3359 NA PeJP NA NA +PJ027939 PPCLYY C37H50N6O9S 754.336 NA PeJP NA NA +PJ027940 ACCFRR C30H50N12O7S2 754.3367 NA PeJP NA NA +PJ027941 TTLEEY C33H50N6O14 754.3385 NA PeJP NA NA +PJ027942 PTLMMY C34H54N6O9S2 754.3394 NA PeJP NA NA +PJ027943 GSSRYW C34H46N10O10 754.3399 NA PeJP NA NA +MJ093179 3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-[4-hydroxycinnamoyl(?4)]-?-D-glucopyranoside] C37H54O16 754.341185 NA MeJP NA NA +MJ093180 Trillenogenin; 24-Epimer, 1-O-?-L-rhamnopyranosyl(1?2)-?-L-arabinopyranosyl C37H54O16 754.341185 NA MeJP NA NA +PJ027944 GTQMRY C31H50N10O10S 754.3432 NA PeJP NA NA +PJ027945 GGGSPLMH C31H50N10O10S 754.3433 NA PeJP NA NA +MJ093181 Helicokinin I C39H46N8O8 754.34386 NA MeJP NA NA +PJ027946 QQFFW C39H46N8O8 754.3439 NA PeJP NA NA +PJ027947 GDDHRR C28H46N14O11 754.3471 NA PeJP NA NA +PJ027948 QKMYW C36H50N8O8S 754.3472 NA PeJP NA NA +PJ027949 GAKMYW C36H50N8O8S 754.3473 NA PeJP NA NA +PJ027950 ASSSLQY C32H50N8O13 754.3497 NA PeJP NA NA +PJ027951 STQKEY C32H50N8O13 754.3498 NA PeJP NA NA +PJ027952 AQKMMF C33H54N8O8S2 754.3506 NA PeJP NA NA +PJ027953 QEHRW C33H46N12O9 754.3511 NA PeJP NA NA +PJ027954 SSTTTKM C29H54N8O13S 754.3531 NA PeJP NA NA +PJ027955 APLEYY C37H50N6O11 754.3538 NA PeJP NA NA +PJ027956 SKKMMM C30H58N8O8S3 754.354 NA PeJP NA NA +35 Collagen GFXGTXGLXGF 754.354 celiac toxic Inhouse_peptide NA peptide +PJ027957 GTCRRY C30H50N12O9S 754.3545 NA PeJP NA NA +PJ027958 VQHWW C38H46N10O7 754.3551 NA PeJP NA NA +PJ027959 SLLEMY C34H54N6O11S 754.3571 NA PeJP NA NA +PJ027960 VTLEMY C34H54N6O11S 754.3572 NA PeJP NA NA +PJ027961 CKRYW C35H50N10O7S 754.3585 NA PeJP NA NA +PJ027962 SSDKRY C31H50N10O12 754.361 NA PeJP NA NA +PJ027963 ACKMFR C32H54N10O7S2 754.3619 NA PeJP NA NA +MJ093182 Cyclo(L-isoleucyl-D-2,3,4,5-tetrahydro-3-pyridazinecarbonyl-L-2,3,4,5-tetrahydro-3-pyridazinecarbonyl-N-methyl-D-phenylalanyl-L-propylthio-D-phenylalanyl) C40H50N8O5S 754.362487 NA MeJP NA NA +PJ027964 GTTKYW C36H50N8O10 754.365 NA PeJP NA NA +PJ027965 SPCHRR C29H50N14O8S 754.3657 NA PeJP NA NA +PJ027966 AHRWW C37H46N12O6 754.3664 NA PeJP NA NA +PJ027967 GKKEMY C33H54N8O10S 754.3684 NA PeJP NA NA +PJ027968 PPTFFF C41H50N6O8 754.369 NA PeJP NA NA +PJ027969 SSSRRY C30H50N12O11 754.3722 NA PeJP NA NA +PJ027970 GGGGASPPR C30H50N12O11 754.3723 NA PeJP NA NA +PJ027971 PVVMFY C38H54N6O8S 754.3724 NA PeJP NA NA +PJ027972 VVLMMY C35H58N6O8S2 754.3758 NA PeJP NA NA +PJ027973 SPTKHW C35H50N10O9 754.3762 NA PeJP NA NA +PJ027974 APPERW C35H50N10O9 754.3763 NA PeJP NA NA +MJ093183 1,3,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-talopyranoside], 1-Ac C38H58O15 754.377571 NA MeJP NA NA +MJ093184 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] C38H58O15 754.377571 NA MeJP NA NA +MJ093185 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2-O-acetyl-6-deoxy-3-O-methyl-?-D-galactopyranoside] C38H58O15 754.377571 NA MeJP NA NA +PJ027975 GTKMRY C32H54N10O9S 754.3796 NA PeJP NA NA +PJ027976 GPPLWW C40H50N8O7 754.3803 NA PeJP NA NA +MJ093186 Topostatin C36H58N4O11S 754.382279 NA MeJP NA NA +PJ027977 GTEHRR C29H50N14O10 754.3835 NA PeJP NA NA +PJ027978 KKMYW C37H54N8O7S 754.3836 NA PeJP NA NA +PJ027979 PPPKMW C37H54N8O7S 754.3837 NA PeJP NA NA +PJ027980 STKKEY C33H54N8O12 754.3861 NA PeJP NA NA +PJ027981 GPPVKEE C33H54N8O12 754.3862 NA PeJP NA NA +PJ027982 AKKMMF C34H58N8O7S2 754.387 NA PeJP NA NA +PJ027983 KEHRW C34H50N12O8 754.3875 NA PeJP NA NA +PJ027984 SPLLYY C38H54N6O10 754.3902 NA PeJP NA NA +PJ027985 SPKMHR C31H54N12O8S 754.3909 NA PeJP NA NA +PJ027986 VKHWW C39H50N10O6 754.3915 NA PeJP NA NA +MJ093187 Peduncularidine C43H54N4O8 754.394164 NA MeJP NA NA +PJ027987 STTKRY C32H54N10O11 754.3974 NA PeJP NA NA +PJ027988 THRRW C33H50N14O7 754.3987 NA PeJP NA NA +MJ093188 Brachystemin A C37H54N8O9 754.401375 NA MeJP NA NA +PJ027989 PPVKEW C37H54N8O9 754.4014 NA PeJP NA NA +PJ027990 GVMHRR C30H54N14O7S 754.4021 NA PeJP NA NA +PJ027991 SVKKMY C34H58N8O9S 754.4048 NA PeJP NA NA +PJ027992 PVVFFF C42H54N6O7 754.4054 NA PeJP NA NA +PJ027993 PPTERR C31H54N12O10 754.4086 NA PeJP NA NA +PJ027994 VVLMFF C39H58N6O7S 754.4088 NA PeJP NA NA +PJ027995 SPPLRW C36H54N10O8 754.4126 NA PeJP NA NA +PJ027996 GGPLKHF C36H54N10O8 754.4127 NA PeJP NA NA +PJ027997 MHRRR C29H54N16O6S 754.4133 NA PeJP NA NA +MJ093189 16,22,26-Trihydroxycholest-4-en-3-one, 22-Ketone, 16-O-[?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] C39H62O14 754.413956 NA MeJP NA NA +MJ093190 3-Hydroxyspirostan-12-one, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside] C39H62O14 754.413956 NA MeJP NA NA +MJ093191 3-Hydroxyspirostan-12-one, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C39H62O14 754.413956 NA MeJP NA NA +MJ093192 Pamaqueside C39H62O14 754.413956 NA MeJP NA NA +MJ093193 Spirost-25(27)-ene-1,2,3-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C39H62O14 754.413956 NA MeJP NA NA +MJ093194 Spirost-25(27)-ene-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] C39H62O14 754.413956 NA MeJP NA NA +MJ093195 Spirost-5-ene-1,2,3-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C39H62O14 754.413956 NA MeJP NA NA +MJ093196 Spirost-5-ene-1,3,24-triol, 1-O-?-D-Fucopyranoside, 24-O-?-D-glucopyranoside C39H62O14 754.413956 NA MeJP NA NA +MJ093197 Spirost-5-ene-1,3,24-triol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C39H62O14 754.413956 NA MeJP NA NA +MJ093198 Spirost-5-ene-3,17,27-triol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C39H62O14 754.413956 NA MeJP NA NA +MJ093199 Spirost-5-ene-3,23-diol, 23-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C39H62O14 754.413956 NA MeJP NA NA +MJ093200 14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 3-(N-Suberoyl-L-argininoyl), 16-Ac C40H58N4O10 754.415294 NA MeJP NA NA +PJ027998 AAPPLMR C33H58N10O8S 754.416 NA PeJP NA NA +PJ027999 KKFFW C41H54N8O6 754.4167 NA PeJP NA NA +PJ028000 SSLHRR C30H54N14O9 754.4199 NA PeJP NA NA +PJ028001 APPTLKE C34H58N8O11 754.4225 NA PeJP NA NA +PJ028002 GGGPLLLE C34H58N8O11 754.4226 NA PeJP NA NA +PJ028003 APKHFR C35H54N12O7 754.4239 NA PeJP NA NA +PJ028004 ALLLYY C39H58N6O9 754.4265 NA PeJP NA NA +PJ028005 VVVLYY C39H58N6O9 754.4266 NA PeJP NA NA +PJ028006 PPVMRR C32H58N12O7S 754.4273 NA PeJP NA NA +MJ093201 12-Oleanene-3,16,21,28-tetrol, 21-Benzoyl, 3-O-?-D-glucuronopyranoside C43H62O11 754.429212 NA MeJP NA NA +MJ093202 Voamatin C C43H62O11 754.429212 NA MeJP NA NA +PJ028007 GPNRRR C29H54N16O8 754.4311 NA PeJP NA NA +8293 Fatty acid synthase inhibitor KNPQLR 754.4319 NA ;SYN:(+)-2-Amino-3-mercaptopropionic acid; (2R)-2-amino-3-mercaptopropanoic acid; (2R)-2-amino-3-sulfanylpropanoic acid; (R)-2-Amino-3-mercaptopropanoate; (R)-2-amino-3-mercapto-Propanoic acid; (R)-(+)-cysteine; (R)-cysteine; 2-Amino-3-mercaptopropanoic acid; 2-Amino-3-mercaptopropionate; 2-Amino-3-mercaptopropionic acid; 3-mercapto-L-Alanine; B-mercaptoalanine; Carbocysteine; Cisteina; Cisteinum; Cystein; Cysteine; Cysteinum; Half-cystine; Free cysteine; L cysteine; L-(+)-cysteine; L-2-Amino-3-mercaptopropanoic acid; L-2-Amino-3-mercaptopropionic acid; L-cystein; L-cysteine; Polycysteine; Thioserine; alpha-amino-beta-thiolpropionic acid; beta-mercaptoalanine; acetylcysteine; (2R)-2-amino-3-mercaptopropanoate; (2R)-2-amino-3-sulfanylpropanoate; (R)-2-Amino-3-mercaptopropanoic acid; (R)-2-amino-3-mercapto-Propanoate; 2-Amino-3-mercaptopropanoate; L-2-Amino-3-mercaptopropanoateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +MJ093203 Xestosterol; 3-O-(18-Bromo-9E,17E-octadecadiene-5,7,15-triynoyl) C48H67BrO2 754.432444 NA MeJP NA NA +MJ093204 Edeine; Edeine A1 C33H58N10O10 754.433738 NA MeJP NA NA +PJ028008 PLLQER C33H58N10O10 754.4338 NA PeJP NA NA +PJ028009 PVLLQW C38H58N8O8 754.4378 NA PeJP NA NA +PJ028010 GPPLLKM C35H62N8O8S 754.4412 NA PeJP NA NA +MJ093205 Diboviquinone-3,4 C47H62O8 754.444468 NA MeJP NA NA +PJ028011 PVVERR C32H58N12O9 754.445 NA PeJP NA NA +PJ028012 APLLRW C37H58N10O7 754.449 NA PeJP NA NA +MJ093206 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3,6-Di-O-?-D-xylopyranoside C40H66O13 754.450342 NA MeJP NA NA +MJ093207 20,25-Epoxycycloartane-3,6,16,24-tetrol, 3,6-Di-O-?-D-xylopyranoside C40H66O13 754.450342 NA MeJP NA NA +MJ093208 Pregn-6-ene-3,17,20-triol, 3-O-?-D-Fucopyranoside, 20-O-[2,6-dideoxy-3-O-methyl-?-D-lyxo-hexopyranosyl-(1?3)-2,6-dideoxy-?-D-arabino-hexopyranoside] C40H66O13 754.450342 NA MeJP NA NA +PJ028013 VLKKMH C34H62N10O7S 754.4524 NA PeJP NA NA +C13890 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate C37H72O11P2 754.455 NA KEGG NA NA +PJ028014 APQKRR C31H58N14O8 754.4562 NA PeJP NA NA +PJ028015 GAAPKRR C31H58N14O8 754.4563 NA PeJP NA NA +PJ028016 GPVLLKE C35H62N8O10 754.4589 NA PeJP NA NA +PJ028017 PLLKER C34H62N10O9 754.4702 NA PeJP NA NA +PJ028018 PVLLKW C39H62N8O7 754.4742 NA PeJP NA NA +PJ028019 PTLLRR C33H62N12O8 754.4814 NA PeJP NA NA +C17544 Chikusetsusaponin Ia C41H70O12 754.4867 NA KEGG NA NA +MJ093209 20,24-Epoxydammarane-3,12,25-triol, 3-O-?-L-Arabinofuranoside, 12-O-(6-deoxy-?-D-glucopyranoside) C41H70O12 754.486727 NA MeJP NA NA +MJ093210 Dammar-24-ene-3,12,20-triol, 20-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C41H70O12 754.486727 NA MeJP NA NA +MJ093211 Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C41H70O12 754.486727 NA MeJP NA NA +MJ093212 Dolabelide B C41H70O12 754.486727 NA MeJP NA NA +MJ093213 Mutalomycin C41H70O12 754.486727 NA MeJP NA NA +PJ028020 APKKRR C32H62N14O7 754.4926 NA PeJP NA NA +PJ028021 APTLLLK C36H66N8O9 754.4953 NA PeJP NA NA +PJ028022 LLLLQR C35H66N10O8 754.5065 NA PeJP NA NA +PJ028023 VVLLRR C34H66N12O7 754.5178 NA PeJP NA NA +PJ028024 GVLLLLK C37H70N8O8 754.5317 NA PeJP NA NA +MJ093214 43-Hydroxy-2,44-pentatetracontapentaenediynoic acid; Me ester C46H74O8 754.538369 NA MeJP NA NA +PJ028025 LLLLKR C36H70N10O7 754.5429 NA PeJP NA NA +MJ093215 Celastroidine A C50H74O5 754.553625 NA MeJP NA NA +MJ093216 1,2-Di-O-acylglycerols; Glycerol 1-(9Z,12Z-octadecadienoate) 2-hexadecanoate, 3-O-?-D-Galactopyranoside (2S-) C43H78O10 754.559498 NA MeJP NA NA +MJ093217 1,2-Di-O-acylglycerols; Glycerol 2-(9Z,12Z-octadecadienoate) 1-hexadecanoate, 3-O-?-D-Galactopyranoside C43H78O10 754.559498 NA MeJP NA NA +MetaCyc04104 1-18:1-2-16:1-monogalactosyldiacylglycerol [] C43H78O10 754.559499 NA metacyc NA NA +EUR1045 SM(d18:0/18:0) [M+Na]+ C41H85N2O6P 754.596472 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1045 SM(d18:0/18:0) [M+Na]+ C41H85N2O6P 754.596472 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1045 SM(d18:0/18:0) [M+Na]+ C41H85N2O6P 754.596472 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1045 SM(d18:0/18:0) [M+Na]+ C41H85N2O6P 754.596472 masses lipides attendues Inhousejuil11 NA NA +HMDB13465 SM(d18:0/20:2(11Z,14Z)) C43H83N2O6P 754.598877 NA HMDB2010 NA NA +MJ093218 3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,34-hexatriacontatetraene-1,15,19,23,27,31-hexol; 34,35-Dihydro, 34,35-dihydroxy C45H86O8 754.632269 NA MeJP NA NA +HMDB07703 DG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/0:0) C49H86O5 754.647522 NA HMDB2010 NA NA +HMDB07731 DG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/0:0) C49H86O5 754.647522 NA HMDB2010 NA NA +HMDB07760 DG(22:5(7Z,10Z,13Z,16Z,19Z)/24:0/0:0) C49H86O5 754.647522 NA HMDB2010 NA NA +HMDB07815 DG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) C49H86O5 754.647522 NA HMDB2010 NA NA +HMDB07816 DG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) C49H86O5 754.647522 NA HMDB2010 NA NA +HMDB07843 DG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C49H86O5 754.647522 NA HMDB2010 NA NA +MJ093219 Araplysillin I; N20,N20,N20-Tri-Me C24H30Br4N3O5(+) 754.884071 NA MeJP NA NA +MJ093220 Antibiotic S 3907C4B; 4''-O-Sulfate C25H29N3O18S3 755.060823 NA MeJP NA NA +MJ093221 Taitomycin B C31H31N8O9S3 755.137611 NA MeJP NA NA +PJ028026 GCCCCMH C25H41N9O8S5 755.1682 NA PeJP NA NA +PJ028027 GCCDDDE C25H37N7O16S2 755.1739 NA PeJP NA NA +PJ028028 STCCCCH C25H41N9O10S4 755.1859 NA PeJP NA NA +PJ028029 GGPCCCCN C25H41N9O10S4 755.186 NA PeJP NA NA +PJ028030 CCDDDW C29H37N7O13S2 755.1891 NA PeJP NA NA +PJ028031 SSCDDDD C25H37N7O18S 755.1916 NA PeJP NA NA +PJ028032 SPCCCDE C26H41N7O13S3 755.1925 NA PeJP NA NA +PJ028033 PPCCCCM C27H45N7O8S5 755.1934 NA PeJP NA NA +PJ028034 GCCNNDM C25H41N9O12S3 755.2037 NA PeJP NA NA +PJ028035 GSCDDEM C26H41N7O15S2 755.2102 NA PeJP NA NA +PJ028036 GPCCDMM C27H45N7O10S4 755.2111 NA PeJP NA NA +PJ028037 CCCNQW C29H41N9O9S3 755.219 NA PeJP NA NA +PJ028038 SSCCNNE C25H41N9O14S2 755.2215 NA PeJP NA NA +PJ028039 NDDDDY C29H37N7O17 755.2246 NA PeJP NA NA +PJ028040 SCDDMW C30H41N7O12S2 755.2255 NA PeJP NA NA +PJ028041 SSSDDDM C26H41N7O17S 755.228 NA PeJP NA NA +PJ028042 NDDMMM C27H45N7O12S3 755.2289 NA PeJP NA NA +PJ028043 GPCCCHH C28H41N11O8S3 755.2302 NA PeJP NA NA +PJ028044 GSSCCNW C29H41N9O11S2 755.2367 NA PeJP NA NA +PJ028045 GSSSSCND C25H41N9O16S 755.2392 NA PeJP NA NA +PJ028046 CCDEMR C26H45N9O11S3 755.2401 NA PeJP NA NA +PJ028047 GSPCDDY C30H41N7O14S 755.2433 NA PeJP NA NA +PJ028048 GCEMMW C31H45N7O9S3 755.2441 NA PeJP NA NA +PJ028049 GSSDEMM C27H45N7O14S2 755.2466 NA PeJP NA NA +PJ028050 GSPCMMM C28H49N7O9S4 755.2475 NA PeJP NA NA +PJ028051 CNDMHH C28H41N11O10S2 755.248 NA PeJP NA NA +PJ028052 GSCCCQR C25H45N11O10S3 755.2513 NA PeJP NA NA +PJ028053 CNNNEY C29H41N9O13S 755.2545 NA PeJP NA NA +PJ028054 CCCNKW C30H45N9O8S3 755.2553 NA PeJP NA NA +PJ028055 GGCCCKW C30H45N9O8S3 755.2554 NA PeJP NA NA +PJ028056 SSSCNQM C26H45N9O13S2 755.2578 NA PeJP NA NA +PJ028057 GGSSSCQM C26H45N9O13S2 755.2579 NA PeJP NA NA +PJ028058 GCDEFW C34H41N7O11S 755.2585 NA PeJP NA NA +PJ028059 CMMWW C35H45N7O6S3 755.2594 NA PeJP NA NA +PJ028060 SNDEEY C30H41N7O16 755.261 NA PeJP NA NA +PJ028061 SSDMMW C31H45N7O11S2 755.2619 NA PeJP NA NA +PJ028062 ACCHHW C32H41N11O7S2 755.2632 NA PeJP NA NA +PJ028063 SSSSEEM C27H45N7O16S 755.2644 NA PeJP NA NA +PJ028064 SQEMMM C28H49N7O11S3 755.2652 NA PeJP NA NA +PJ028065 AVTCCEM C28H49N7O11S3 755.2653 NA PeJP NA NA +PJ028066 GSSCEHH C28H41N11O12S 755.2657 NA PeJP NA NA +PJ028067 SSSCCNR C25H45N11O12S2 755.2691 NA PeJP NA NA +PJ028068 GCNNYW C33H41N9O10S 755.2697 NA PeJP NA NA +PJ028069 GGGGGCYW C33H41N9O10S 755.2698 NA PeJP NA NA +PJ028070 GSSNNDY C29H41N9O15 755.2722 NA PeJP NA NA +PJ028071 GGGGGSSDY C29H41N9O15 755.2723 NA PeJP NA NA +PJ028072 PCCDRY C30H45N9O10S2 755.2731 NA PeJP NA NA +PJ028073 CDFWW C38H41N7O8S 755.2738 NA PeJP NA NA +PJ028074 GSSSSSNM C26H45N9O15S 755.2756 NA PeJP NA NA +PJ028075 GSDEYW C34H41N7O13 755.2763 NA PeJP NA NA +PJ028076 SCEMMR C27H49N9O10S3 755.2765 NA PeJP NA NA +PJ028077 GPCMYW C35H45N7O8S2 755.2771 NA PeJP NA NA +MJ093222 Alangiside; 2'-O-[4-(1,3-Dihydroxypropoxy)-3-methoxycinnamoyl](E-) C38H45NO15 755.278919 NA MeJP NA NA +PJ028078 GQEEMY C31H45N7O13S 755.2796 NA PeJP NA NA +PJ028079 GTMMMW C32H49N7O8S3 755.2805 NA PeJP NA NA +PJ028080 SSCHHW C32H41N11O9S 755.281 NA PeJP NA NA +PJ028081 GSTTEMM C28H49N7O13S2 755.283 NA PeJP NA NA +PJ028082 SSSSDHH C28H41N11O14 755.2835 NA PeJP NA NA +PJ028083 VNMMMM C29H53N7O8S4 755.2839 NA PeJP NA NA +PJ028084 CCNNFR C29H45N11O9S2 755.2843 NA PeJP NA NA +PJ028085 GGGGCCFR C29H45N11O9S2 755.2844 NA PeJP NA NA +PJ028086 SPDDHW C33H41N9O12 755.2875 NA PeJP NA NA +PJ028087 GSCCCKR C26H49N11O9S3 755.2877 NA PeJP NA NA +PJ028088 GDDMRY C30H45N9O12S 755.2909 NA PeJP NA NA +PJ028089 SDYWW C38H41N7O10 755.2915 NA PeJP NA NA +PJ028090 PCCMFR C31H49N9O7S3 755.2917 NA PeJP NA NA +PJ028091 SSSSSSSQ C26H45N9O17 755.2933 NA PeJP NA NA +PJ028092 GGSSSSSST C26H45N9O17 755.2934 NA PeJP NA NA +PJ028093 SSSCNKM C27H49N9O12S2 755.2942 NA PeJP NA NA +PJ028094 GSNNNNH C27H41N13O13 755.2947 NA PeJP NA NA +PJ028095 QEMYW C35H45N7O10S 755.2949 NA PeJP NA NA +PJ028096 GMMMMR C28H53N9O7S4 755.2951 NA PeJP NA NA +PJ028097 TCCHHR C28H45N13O8S2 755.2956 NA PeJP NA NA +PJ028098 STQEEY C31H45N7O15 755.2974 NA PeJP NA NA +PJ028099 STTMMW C32H49N7O10S2 755.2982 NA PeJP NA NA +PJ028100 SPQMMY C32H49N7O10S2 755.2983 NA PeJP NA NA +PJ028101 GNNEHW C32H41N11O11 755.2987 NA PeJP NA NA +PJ028102 GGGGGEHW C32H41N11O11 755.2988 NA PeJP NA NA +PJ028103 SSTTTEM C28H49N7O15S 755.3007 NA PeJP NA NA +PJ028104 SKEMMM C29H53N7O10S3 755.3016 NA PeJP NA NA +PJ028105 SCNNRY C29H45N11O11S 755.3021 NA PeJP NA NA +PJ028106 CERYW C34H45N9O9S 755.3061 NA PeJP NA NA +PJ028107 SSDERY C30H45N9O14 755.3086 NA PeJP NA NA +PJ028108 GGGGAPPDE C30H45N9O14 755.3087 NA PeJP NA NA +PJ028109 SPCMRY C31H49N9O9S2 755.3095 NA PeJP NA NA +PJ028110 PNDHHH C31H41N13O10 755.31 NA PeJP NA NA +PJ028111 AMYWW C39H45N7O7S 755.3101 NA PeJP NA NA +PJ028112 GPCFFW C39H45N7O7S 755.3102 NA PeJP NA NA +PJ028113 GSSSSTCK C27H49N9O14S 755.312 NA PeJP NA NA +PJ028114 GTTEYW C35H45N7O12 755.3126 NA PeJP NA NA +PJ028115 GGAPEYY C35H45N7O12 755.3127 NA PeJP NA NA +PJ028116 STMMMR C28H53N9O9S3 755.3129 NA PeJP NA NA +PJ028117 AAMMFW C36H49N7O7S2 755.3135 NA PeJP NA NA +PJ028118 NNHWW C36H41N11O8 755.314 NA PeJP NA NA +C01848 Rifamycin B C39H49NO14 755.3153 NA KEGG NA NA +MJ093223 Rifamycin L C39H49NO14 755.315305 NA MeJP NA NA +MetaCyc04105 rifamycin-B [] C39H49N1O14 755.315305 13929-35-6 metacyc NA NA +PJ028119 GKEEMY C32H49N7O12S 755.316 NA PeJP NA NA +PJ028120 TFYYY C40H45N5O10 755.3167 NA PeJP NA NA +PJ028121 PCKMMF C33H53N7O7S3 755.3169 NA PeJP NA NA +PJ028122 GQMHHF C33H45N11O8S 755.3174 NA PeJP NA NA +PJ028123 SSSTLMM C29H53N7O12S2 755.3194 NA PeJP NA NA +PJ028124 SSSTTHH C29H45N11O13 755.3198 NA PeJP NA NA +PJ028125 GEEEHR C29H45N11O13 755.3199 NA PeJP NA NA +PJ028126 CLKMMM C30H57N7O7S4 755.3203 NA PeJP NA NA +PJ028127 TCKMHH C30H49N11O8S2 755.3207 NA PeJP NA NA +PJ028128 PMHWW C38H45N9O6S 755.3214 NA PeJP NA NA +PJ028129 GVEEHW C34H45N9O11 755.3239 NA PeJP NA NA +PJ028130 ASEMRY C31H49N9O11S 755.3272 NA PeJP NA NA +PJ028131 GTEMRY C31H49N9O11S 755.3273 NA PeJP NA NA +PJ028132 TTYWW C39H45N7O9 755.3279 NA PeJP NA NA +PJ028133 GCHHFR C32H45N13O7S 755.3286 NA PeJP NA NA +PJ028134 SSSSSSSK C27H49N9O16 755.3297 NA PeJP NA NA +MJ093224 1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 2-hexanoyl, 1,9-dibenzoyl, 6-Ac C43H49NO11 755.330561 NA MeJP NA NA +PJ028135 SSTCCKK C28H53N9O11S2 755.3306 NA PeJP NA NA +PJ028136 SNNEHR C28H45N13O12 755.3311 NA PeJP NA NA +PJ028137 KEMYW C36H49N7O9S 755.3313 NA PeJP NA NA +PJ028138 STKEEY C32H49N7O14 755.3338 NA PeJP NA NA +PJ028139 SPKMMY C33H53N7O9S2 755.3346 NA PeJP NA NA +PJ028140 GGVVMMY C33H53N7O9S2 755.3347 NA PeJP NA NA +PJ028141 EEHRW C33H45N11O10 755.3351 NA PeJP NA NA +PJ028142 TTTTTTM C29H53N7O14S 755.3371 NA PeJP NA NA +PJ028143 SPEMHR C30H49N11O10S 755.3385 NA PeJP NA NA +PJ028144 VEHWW C38H45N9O8 755.3391 NA PeJP NA NA +PJ028145 GGGPPWW C38H45N9O8 755.3392 NA PeJP NA NA +PJ028146 TMRYW C35H49N9O8S 755.3425 NA PeJP NA NA +PJ028147 AFFWW C43H45N7O6 755.3432 NA PeJP NA NA +PJ028148 STTERY C31H49N9O13 755.345 NA PeJP NA NA +PJ028149 GVMMRY C32H53N9O8S2 755.3459 NA PeJP NA NA +PJ028150 GSNHRW C32H45N13O9 755.3464 NA PeJP NA NA +PJ028151 SSTLYW C36H49N7O11 755.349 NA PeJP NA NA +PJ028152 GQQMHR C29H49N13O9S 755.3497 NA PeJP NA NA +MJ093225 Antibiotic K 502; Antibiotic K 502-6 C40H53NO13 755.35169 NA MeJP NA NA +MJ093226 Cosmomycin B; 3''-Deoxy C40H53NO13 755.35169 NA MeJP NA NA +MJ093227 Kesarirhodin A C40H53NO13 755.35169 NA MeJP NA NA +PJ028153 SVKEMY C33H53N7O11S 755.3524 NA PeJP NA NA +PJ028154 PPCHFR C34H49N11O7S 755.3538 NA PeJP NA NA +PJ028155 SVEEHR C30H49N11O12 755.3562 NA PeJP NA NA +PJ028156 VTDEHR C30H49N11O12 755.3563 NA PeJP NA NA +PJ028157 MMRRY C31H53N11O7S2 755.3571 NA PeJP NA NA +PJ028158 ATLEHW C35H49N9O10 755.3603 NA PeJP NA NA +PJ028159 GCQHRR C28H49N15O8S 755.361 NA PeJP NA NA +PJ028160 SSLMRY C32H53N9O10S 755.3636 NA PeJP NA NA +PJ028161 GGLLEMH C32H53N9O10S 755.3637 NA PeJP NA NA +PJ028162 PKYYW C40H49N7O8 755.3643 NA PeJP NA NA +PJ028163 SNDKHR C29H49N13O11 755.3675 NA PeJP NA NA +PJ028164 APKMFY C37H53N7O8S 755.3677 NA PeJP NA NA +PJ028165 SSSSLLY C33H53N7O13 755.3701 NA PeJP NA NA +PJ028166 GTTTTLY C33H53N7O13 755.3702 NA PeJP NA NA +PJ028167 ALKMMY C34H57N7O8S2 755.371 NA PeJP NA NA +PJ028168 SPPNRW C34H49N11O9 755.3715 NA PeJP NA NA +PJ028169 ALEMHR C31H53N11O9S 755.3749 NA PeJP NA NA +PJ028170 TFFRW C39H49N9O7 755.3755 NA PeJP NA NA +PJ028171 SSNHRR C28H49N15O10 755.3787 NA PeJP NA NA +PJ028172 GLLMHW C36H53N9O7S 755.3789 NA PeJP NA NA +PJ028173 GSSSKKY C32H53N9O12 755.3814 NA PeJP NA NA +PJ028174 CCKKKF C33H57N9O7S2 755.3823 NA PeJP NA NA +PJ028175 PTKHHH C33H49N13O8 755.3827 NA PeJP NA NA +PJ028176 GGVLHHH C33H49N13O8 755.3828 NA PeJP NA NA +7493 ACE inhibitor (from bovine beta-CN) DKIHPF 755.3829 antioxidative Inhouse_peptide NA peptide +7895 peptide from human milk b-casein (193-198) HQIYPV 755.383 ACE inhibitor Inhouse_peptide NA peptide +PJ028177 SPVKYY C37H53N7O10 755.3854 NA PeJP NA NA +PJ028178 PPCQRR C30H53N13O8S 755.3861 NA PeJP NA NA +PJ028179 TTLKMY C34H57N7O10S 755.3888 NA PeJP NA NA +PJ028180 MFFRR C35H53N11O6S 755.3901 NA PeJP NA NA +PJ028181 TTLEHR C31H53N11O11 755.3926 NA PeJP NA NA +PJ028182 GGGAPLER C31H53N11O11 755.3927 NA PeJP NA NA +PJ028183 GLHHHR C32H49N15O7 755.394 NA PeJP NA NA +PJ028184 VTTLHW C36H53N9O9 755.3966 NA PeJP NA NA +PJ028185 STLLHW C36H53N9O9 755.3967 NA PeJP NA NA +PJ028186 GCKHRR C29H53N15O7S 755.3974 NA PeJP NA NA +PJ028187 SCKKKY C33H57N9O9S 755.4 NA PeJP NA NA +PJ028188 LKFYW C41H53N7O7 755.4007 NA PeJP NA NA +PJ028189 APQERR C30H53N13O10 755.4039 NA PeJP NA NA +PJ028190 PPLLMW C38H57N7O7S 755.4041 NA PeJP NA NA +PJ028191 SPPTLLE C34H57N7O12 755.4065 NA PeJP NA NA +PJ028192 GPVLLEE C34H57N7O12 755.4066 NA PeJP NA NA +PJ028193 GPLQRW C35H53N11O8 755.4079 NA PeJP NA NA +PJ028194 SLLMHR C32H57N11O8S 755.4113 NA PeJP NA NA +PJ028195 GPDRRR C29H53N15O9 755.4151 NA PeJP NA NA +PJ028196 PLLEER C33H57N9O11 755.4178 NA PeJP NA NA +PJ028197 AAPRRW C34H53N13O7 755.4191 NA PeJP NA NA +PJ028198 PVLLEW C38H57N7O9 755.4218 NA PeJP NA NA +PJ028199 PPCKRR C31H57N13O7S 755.4225 NA PeJP NA NA +PJ028200 SPPVLLM C35H61N7O9S 755.4252 NA PeJP NA NA +PJ028201 PVQKER C32H57N11O10 755.429 NA PeJP NA NA +PJ028202 PPTKKW C37H57N9O8 755.433 NA PeJP NA NA +PJ028203 GGPVLKW C37H57N9O8 755.4331 NA PeJP NA NA +PJ028204 GPPVKKM C34H61N9O8S 755.4364 NA PeJP NA NA +2996 kinases inhibitor KKALRRQEALDAL 755.43995 MH2+ Inhouse_peptide NA peptide +3013 kinases inhibitor KKALRRQEAIDAL 755.43995 MH2+ Inhouse_peptide NA peptide +PJ028205 APKERR C31H57N13O9 755.4403 NA PeJP NA NA +PJ028206 APTLLLE C35H61N7O11 755.4429 NA PeJP NA NA +PJ028207 GPLKRW C36H57N11O7 755.4443 NA PeJP NA NA +MJ093228 Microginin SD755 C40H61N5O9 755.446928 NA MeJP NA NA +PJ028208 PPKKMR C33H61N11O7S 755.4476 NA PeJP NA NA +PJ028209 APTRRR C30H57N15O8 755.4515 NA PeJP NA NA +PJ028210 AAPLKKE C34H61N9O10 755.4542 NA PeJP NA NA +MJ093229 Pohlianin A C39H61N7O8 755.458161 NA MeJP NA NA +PJ028211 GPPLLLF C39H61N7O8 755.4582 NA PeJP NA NA +PJ028212 GPLLLLM C36H65N7O8S 755.4616 NA PeJP NA NA +PJ028213 PVKKER C33H61N11O9 755.4654 NA PeJP NA NA +PJ028214 PVVKKW C38H61N9O7 755.4694 NA PeJP NA NA +HMDB12339 PS(14:0/20:4(5Z,8Z,11Z,14Z)) C40H70NO10P 755.473755 NA HMDB2010 NA NA +HMDB12349 PS(14:1(9Z)/20:3(8Z,11Z,14Z)) C40H70NO10P 755.473755 NA HMDB2010 NA NA +HMDB12370 PS(16:1(9Z)/18:3(9Z,12Z,15Z)) C40H70NO10P 755.473755 NA HMDB2010 NA NA +HMDB12410 PS(18:3(9Z,12Z,15Z)/16:1(9Z)) C40H70NO10P 755.473755 NA HMDB2010 NA NA +HMDB12419 PS(20:3(8Z,11Z,14Z)/14:1(9Z)) C40H70NO10P 755.473755 NA HMDB2010 NA NA +HMDB12429 PS(20:4(5Z,8Z,11Z,14Z)/14:0) C40H70NO10P 755.473755 NA HMDB2010 NA NA +PJ028215 SPLKRR C32H61N13O8 755.4766 NA PeJP NA NA +PJ028216 GAALLRR C32H61N13O8 755.4767 NA PeJP NA NA +PJ028217 GVLLLLE C36H65N7O10 755.4793 NA PeJP NA NA +MJ093230 8,9-Didehydro-N-demethyl-9-deoxo-6,11-dideoxy-6,9-epoxy-12-O-methyl-N-(1-methylethyl)-11-oxoerythromycin C40H69NO12 755.481976 NA MeJP NA NA +PJ028218 GVLRRR C31H61N15O7 755.4879 NA PeJP NA NA +PJ028219 LLLLER C35H65N9O9 755.4906 NA PeJP NA NA +PJ028220 VLLLLW C40H65N7O7 755.4946 NA PeJP NA NA +PJ028221 LRRRR C30H61N17O6 755.4991 NA PeJP NA NA +PJ028222 VLLQKR C34H65N11O8 755.5018 NA PeJP NA NA +PJ028223 ALLKRR C33H65N13O7 755.513 NA PeJP NA NA +PJ028224 ATLLLLL C37H69N7O9 755.5157 NA PeJP NA NA +PJ028225 AALLLKK C36H69N9O8 755.5269 NA PeJP NA NA +PJ028226 VLLKKR C35H69N11O7 755.5382 NA PeJP NA NA +MJ093231 Pepstatins; Pepstatin J C39H73N5O9 755.540828 NA MeJP NA NA +EUR949 PC 34:3 monoisotopic mass C42H78NO8P 755.546507 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR949 PC 34:3 monoisotopic mass C42H78NO8P 755.546507 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR949 PC 34:3 monoisotopic mass C42H78NO8P 755.546507 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR949 PC 34:3 monoisotopic mass C42H78NO8P 755.546507 masses lipides attendues Inhousejuil11 NA NA +HMDB07881 PC(14:0/20:3(5Z,8Z,11Z)) C42H78NO8P 755.546509 NA HMDB2010 NA NA +HMDB07882 PC(14:0/20:3(8Z,11Z,14Z)) C42H78NO8P 755.546509 NA HMDB2010 NA NA +HMDB07913 PC(14:1(9Z)/20:2(11Z,14Z)) C42H78NO8P 755.546509 NA HMDB2010 NA NA +HMDB07974 PC(16:0/18:3(6Z,9Z,12Z)) C42H78NO8P 755.546509 NA HMDB2010 NA NA +HMDB07975 PC(16:0/18:3(9Z,12Z,15Z)) C42H78NO8P 755.546509 NA HMDB2010 NA NA +HMDB08006 PC(16:1(9Z)/18:2(9Z,12Z)) C42H78NO8P 755.546509 NA HMDB2010 NA NA +HMDB08134 PC(18:2(9Z,12Z)/16:1(9Z)) C42H78NO8P 755.546509 NA HMDB2010 NA NA +HMDB08166 PC(18:3(6Z,9Z,12Z)/16:0) C42H78NO8P 755.546509 NA HMDB2010 NA NA +HMDB08199 PC(18:3(9Z,12Z,15Z)/16:0) C42H78NO8P 755.546509 NA HMDB2010 NA NA +HMDB08329 PC(20:2(11Z,14Z)/14:1(9Z)) C42H78NO8P 755.546509 NA HMDB2010 NA NA +HMDB08361 PC(20:3(5Z,8Z,11Z)/14:0) C42H78NO8P 755.546509 NA HMDB2010 NA NA +HMDB08394 PC(20:3(8Z,11Z,14Z)/14:0) C42H78NO8P 755.546509 NA HMDB2010 NA NA +HMDB09281 PE(20:1(11Z)/P-18:1(11Z)) C43H82NO7P 755.582886 NA HMDB2010 NA NA +HMDB09282 PE(20:1(11Z)/P-18:1(9Z)) C43H82NO7P 755.582886 NA HMDB2010 NA NA +HMDB09313 PE(20:2(11Z,14Z)/P-18:0) C43H82NO7P 755.582886 NA HMDB2010 NA NA +HMDB09576 PE(22:2(13Z,16Z)/P-16:0) C43H82NO7P 755.582886 NA HMDB2010 NA NA +HMDB11357 PE(P-16:0/22:2(13Z,16Z)) C43H82NO7P 755.582886 NA HMDB2010 NA NA +HMDB11382 PE(P-18:0/20:2(11Z,14Z)) C43H82NO7P 755.582886 NA HMDB2010 NA NA +HMDB11414 PE(P-18:1(11Z)/20:1(11Z)) C43H82NO7P 755.582886 NA HMDB2010 NA NA +HMDB11447 PE(P-18:1(9Z)/20:1(11Z)) C43H82NO7P 755.582886 NA HMDB2010 NA NA +MJ093232 Asteriacerebroside A C43H81NO9 755.591133 NA MeJP NA NA +HMDB04973 Glucosylceramide (d18:1/20:0) C44H85NO8 755.6275 http://www.hmdb.ca/metabolites/HMDB04973 HMDB NA NA +HMDB04973 Glucosylceramide (d18:1/20:0) C44H85NO8 755.6275 HMDB04973 PFEM_hmdb_metabocards_official NA NA +HMDB04973 Glucosylceramide (d18:1/20:0) C44H85NO8 755.627502 NA HMDB2010 NA NA +HMDB10710 Galactosylceramide (d18:1/20:0) C44H85NO8 755.627502 NA HMDB2010 NA NA +4010 LDT 2, alpha-chain GYGGVSLPEWVCTTF 755.8565 MH2+ Inhouse_peptide NA peptide +MJ093233 Syzyginin B C33H24O21 756.081007 NA MeJP NA NA +C04307 P1,P2-Bis(5'-adenosyl) triphosphate C20H27N10O16P3 756.0819 NA KEGG NA NA +C04308 Phosphatidyl-N-dimethylethanolamine C9H16NO8PR2 756.0819 NA KEGG NA NA +C06197 P1,P3-Bis(5'-adenosyl) triphosphate C20H27N10O16P3 756.0819 NA KEGG NA NA +HMDB01155 Diadenosine triphosphate C20H27N10O16P3 756.081909 NA HMDB2010 NA NA +HMDB01155 Diadenosine triphosphate C20H27N10O16P3 756.08191 http://www.hmdb.ca/metabolites/HMDB01155 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01155 Diadenosine triphosphate C20H27N10O16P3 756.08191 http://www.hmdb.ca/metabolites/HMDB01155 HMDB NA NA +HMDB01155 Diadenosine triphosphate C20H27N10O16P3 756.08191 http://www.hmdb.ca/metabolites/HMDB01155 PFEM_hmdb_metabocards_blood NA blood +HMDB01155 Diadenosine triphosphate C20H27N10O16P3 756.08191 HMDB01155 PFEM_hmdb_metabocards_official NA NA +MJ093234 P1,P3-Bis(5'-adenosyl) triphosphate C20H27N10O16P3 756.081934 NA MeJP NA NA +MetaCyc04106 adenosine(5')triphospho(5')adenosine [P1,P3-bis(5'-adenosyl)triphosphate;5'Ap3A;adenosine 5'-(tetrahydrogen triphosphate), P-5'-ester with adenosine;''] C20H27N10O16P3 756.081934 NA metacyc NA NA +MJ093235 Verticillin D C32H32N6O8S4 756.116444 NA MeJP NA NA +MJ093236 2-C-Hydroxymethylribose; ?-D-Furanose-form, 4-Hydroxybenzoyl glycoside, 2',3,5-tris(3,4,5-trihydroxybenzoyl) C34H28O20 756.117393 NA MeJP NA NA +MJ093237 2-C-Hydroxymethylribose; ?-D-Furanose-form, 4-Hydroxybenzoyl glycoside, 2',3,5-tris(3,4,5-trihydroxybenzoyl) C34H28O20 756.117393 NA MeJP NA NA +MJ093238 2-(4-Hydroxyphenyl)ethanol; 1-O-[3,4,6-Tris-O-(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] C35H32O19 756.153778 NA MeJP NA NA +FL5FACGL0061 Quercetin 3-(3'',6''-di-p-coumarylglucoside) C39H32O16 756.16903 72691-78-2 knapsack NA NA +MJ093239 Isoquercitrin; 3'',6''-Bis-O-(E-4-hydroxycinnamoyl) C39H32O16 756.169034 NA MeJP NA NA +PJ028227 PCCCCND C25H40N8O11S4 756.17 NA PeJP NA NA +PJ028228 CCCCYY C30H40N6O9S4 756.174 NA PeJP NA NA +PJ028229 GCCNDDM C25H40N8O13S3 756.1877 NA PeJP NA NA +FL3FAADS0043 Isovitexin 7-O-(6'''-caffeoyl)-beta-D-glucopyranoside C36H36O18 756.19016 165746-63-4 knapsack NA NA +FL3FACCS0045 Orientin 2''-O-xyloside-6''-ferulate C36H36O18 756.19016 124934-29-8 knapsack NA NA +FL5FAAGL0086 Kaempferol 3-(6''-p-coumarylglucoside)-7-glucoside C36H36O18 756.19016 149035-81-4 knapsack NA NA +FL5FAAGL0087 Kaempferol 3-glucoside-7-p-coumarylglucoside C36H36O18 756.19016 80699-44-1 knapsack NA NA +FL5FAAGL0089 Kaempferol 3-(2''-caffeylglucoside)-7-rhamnoside C36H36O18 756.19016 128700-30-1 knapsack NA NA +FL5FAAGL0091 Kaempferol 3-(6''-p-coumarylglucoside)-4'-glucoside C36H36O18 756.19016 87339-51-3 knapsack NA NA +FL5FAAGS0116 Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside C36H36O18 756.19016 - knapsack NA NA +FL5FACGA0038 Variabiloside E C36H36O18 756.19016 115713-35-4 knapsack NA NA +FL5FACGA0039 Variabiloside F C36H36O18 756.19016 115794-35-9 knapsack NA NA +FL5FACGS0054 Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside C36H36O18 756.19016 107190-71-6<BR>143061-65-8 knapsack NA NA +FL5FACGS0102 Quercetin 3-(2G-(E)-p-coumaroylrutinoside);3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C36H36O18 756.19016 194292-73-4 knapsack NA NA +MJ093240 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxy-E-cinnamoyl-(?4)]-?-D-galactopyranoside] C36H36O18 756.190164 NA MeJP NA NA +MJ093241 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxy-Z-cinnamoyl-(?4)]-?-D-galactopyranoside] C36H36O18 756.190164 NA MeJP NA NA +MJ093242 Astragalin; 2''-O-(3,4-Dihydroxycinnamoyl), 7-O-?-L-rhamnopyranoside C36H36O18 756.190164 NA MeJP NA NA +MJ093243 Astragalin; 6''-O-(4-Hydroxycinnamoyl), 4'-O-?-D-glucopyranoside C36H36O18 756.190164 NA MeJP NA NA +MJ093244 Astragalin; 6''-O-(4-Hydroxycinnamoyl), 7-O-?-D-glucopyranoside C36H36O18 756.190164 NA MeJP NA NA +MJ093245 Astragalin; 7-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside] C36H36O18 756.190164 NA MeJP NA NA +MJ093246 Isoorientin; 2''-O-(4-Hydroxycinnamoyl), 4'-O-?-D-glucopyranoside C36H36O18 756.190164 NA MeJP NA NA +MJ093247 Isoorientin; 2''-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl] C36H36O18 756.190164 NA MeJP NA NA +MJ093248 Isovitexin; 2''-O-?-D-Glucopyranosyl, O-(3,4-Dihydroxycinnamoyl) C36H36O18 756.190164 NA MeJP NA NA +MJ093249 Isovitexin; 7-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranoside] C36H36O18 756.190164 NA MeJP NA NA +MJ093250 Populnin; 3-O-[4-Hydroxycinnamoyl-(?2)-?-D-glucopyranoside] C36H36O18 756.190164 NA MeJP NA NA +MJ093251 Quercitrin; 2''-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl] C36H36O18 756.190164 NA MeJP NA NA +MJ093252 ?-Rhamnoisorobin; 2''-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranosyl](E-) C36H36O18 756.190164 NA MeJP NA NA +MJ093253 ?-Rhamnoisorobin; 4''-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranosyl](E-) C36H36O18 756.190164 NA MeJP NA NA +MJ093254 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Galactopyranoside, 5-O-[4-hydroxycinnamoyl-(?6)-?-D-glucopyranoside] C36H37O18(+) 756.190164 NA MeJP NA NA +MJ093255 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-[6-O-(4-hydroxycinnamoyl)-?-D-glucopyranoside](E-) C36H37O18(+) 756.190164 NA MeJP NA NA +MJ093256 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C36H37O18(+) 756.190164 NA MeJP NA NA +MJ093257 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?2)-?-D-glucopyranosyl-(1?2)-?-D-galactopyranoside] C36H37O18(+) 756.190164 NA MeJP NA NA +MJ093258 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C36H37O18(+) 756.190164 NA MeJP NA NA +MJ093259 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(?3)-3,4-dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C36H37O18(+) 756.190164 NA MeJP NA NA +PJ028230 SCCCNNN C24H40N10O12S3 756.199 NA PeJP NA NA +PJ028231 CCCNEW C29H40N8O10S3 756.203 NA PeJP NA NA +PJ028232 SSCCNDE C25H40N8O15S2 756.2055 NA PeJP NA NA +PJ028233 SPCCCNM C26H44N8O10S4 756.2063 NA PeJP NA NA +PJ028234 GGSPCCCM C26H44N8O10S4 756.2064 NA PeJP NA NA +PJ028235 DDDDDY C29H36N6O18 756.2086 NA PeJP NA NA +FL3FAACS0037 Marginatoside C33H40O20 756.21129 66761-06-6 knapsack NA NA +FL3FAACS0061 Polygonatiin;Vitexin 2''-O-sophoroside C33H40O20 756.21129 61360-93-8 knapsack NA NA +FL3FAACS0062 Vicenin-2,6''-O-glucoside C33H40O20 756.21129 94530-40-2 knapsack NA NA +FL3FAADS0016 Isovitexin 7-O-galactoside-2''-O-glucoside C33H40O20 756.21129 72021-35-3 knapsack NA NA +FL3FAADS0017 Isovitexin 7,2''-di-O-glucoside C33H40O20 756.21129 83213-36-9 knapsack NA NA +FL3FAADS0030 Isovitexin 4',2''-di-O-glucoside C33H40O20 756.21129 63316-27-8 knapsack NA NA +FL3FAADS0032 Isovitexin 7,2''-Di-O-galactoside C33H40O20 756.21129 - knapsack NA NA +FL3FAAGS0059 Apigenin 7-sophorotrioside;5,7,4'-Trihydroxyflavone 7-sophorotrioside;7-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-b-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C33H40O20 756.21129 205326-78-9 knapsack NA NA +FL3FAAGS0061 Apigenin 7-cellobioside-4'-glucoside;5,7,4'-Trihydroxyflavone 7-cellobioside-4'-glucoside;7-[(4-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-4H-1-benzopyran-4-one C33H40O20 756.21129 211096-98-9 knapsack NA NA +FL3FACDS0010 Orientin 4'-O-glucoside-2''-O-rhamnoside C33H40O20 756.21129 87454-41-9 knapsack NA NA +FL3FACDS0013 Wyomin C33H40O20 756.21129 35450-87-4 knapsack NA NA +FL3FACDS0014 Isoorientin 3'-O-neohesperidoside C33H40O20 756.21129 102148-99-2 knapsack NA NA +FL3FACDS0023 Lucenin-2,7-O-rhamnoside C33H40O20 756.21129 29432-27-7 knapsack NA NA +FL3FACGS0043 Luteolin 7-rutinoside-3'-glucoside C33H40O20 756.21129 118024-86-5 knapsack NA NA +FL3FACGS0044 Luteolin 7-rutinoside-4'-glucoside C33H40O20 756.21129 20056-21-7 knapsack NA NA +FL3FACGS0045 Luteolin 7-neohesperidoside-4'-glucoside C33H40O20 756.21129 70404-41-0 knapsack NA NA +FL3FACGS0046 Luteolin 7-glucoside-4'-neohesperidoside C33H40O20 756.21129 70404-42-1 knapsack NA NA +FL5FAAGA0013 Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside C33H40O20 756.21129 134953-94-9 knapsack NA NA +FL5FAAGA0017 Kaempferol 3-glucosyl-(1->2)[rhamnosyl-(1->6)-galactoside] C33H40O20 756.21129 - knapsack NA NA +FL5FAAGA0021 Kaempferol 3-rhamnosyl-(1->2)-galactoside-7-glucoside C33H40O20 756.21129 128988-58-9 knapsack NA NA +FL5FAAGA0023 Kaempferol 3-robinobioside-7-glucoside C33H40O20 756.21129 114924-89-9<BR>142631-38-7 knapsack NA NA +FL5FAAGL0023 Kaempferol 3-(3Rha-glucosylrutinoside) C33H40O20 756.21129 136449-09-7 knapsack NA NA +FL5FAAGL0026 Kaempferol 3-(3G-glucosylneohesperidoside);Kaempferol 3-rhamnosyl-(1->2)-[glucosyl-(1->3)-glucoside];3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C33H40O20 756.21129 28140-19-4 knapsack NA NA +FL5FAAGL0029 Camelliaside A C33H40O20 756.21129 135095-52-2 knapsack NA NA +FL5FAAGL0030 Kaempferol 3-(2G-glucosylrutinoside);Kaempferol 3-(6'''-rhamnosyl-2'''-glucosyl-glucoside) C33H40O20 756.21129 55696-58-7 knapsack NA NA +FL5FAAGL0031 Kaempferol 3-(2G-rhamnosylgentiobioside) C33H40O20 756.21129 55780-30-8 knapsack NA NA +FL5FAAGL0036 Kaempferol 3-sophoroside-7-rhamnoside C33H40O20 756.21129 93098-79-4 knapsack NA NA +FL5FAAGL0038 Kaempferol 3-laminaribioside-7-rhamnoside C33H40O20 756.21129 75848-04-3 knapsack NA NA +FL5FAAGL0040 Kaempferol 3-gentiobioside-7-rhamnoside;Kaempferol 3-glucoside-(1->6)-glucoside-7-alpha-L-rhamnoside;7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-3-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C33H40O20 756.21129 173740-43-7 knapsack NA NA +FL5FAAGL0042 Kaempferol 3-neohesperidoside-7-glucoside C33H40O20 756.21129 78527-48-7 knapsack NA NA +FL5FAAGL0044 Kaempferol 3-rutinoside-7-galactoside C33H40O20 756.21129 33906-91-1 knapsack NA NA +FL5FAAGL0045 Kaempferol 3-rutinoside-7-glucoside C33H40O20 756.21129 34336-18-0 knapsack NA NA +FL5FAAGL0050 Kaempferol 3-rutinoside-4'-glucoside C33H40O20 756.21129 89439-58-7 knapsack NA NA +FL5FAAGS0080 Kaempferol 3-rhamnosyl-(1->2)-glucosyl-(1->6)-galactoside;3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C33H40O20 756.21129 420113-08-2 knapsack NA NA +FL5FAAGS0081 Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside;3-[(O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C33H40O20 756.21129 211947-58-9 knapsack NA NA +FL5FAAGS0082 Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside;3-[(O-beta-D-Glucopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C33H40O20 756.21129 188825-70-9 knapsack NA NA +FL5FAAGS0084 Kaempferol 3-rhamnosyl-(1->2)-[glucosyl-(1->4)-glucoside] C33H40O20 756.21129 - knapsack NA NA +FL5FAAGS0085 Kaempferol 3-glucosyl-(1->2)-[glucosyl-(1->3)-rhamnoside];3-[(O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-6-deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C33H40O20 756.21129 245036-86-6 knapsack NA NA +FL5FAAGS0093 Kaempferol 3-glucosyl-(1->2)-rhamnoside-7-glucoside;3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C33H40O20 756.21129 245036-41-3 knapsack NA NA +FL5FAAGS0094 Kaempferol 3-neohesperidoside-4'-glucoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one C33H40O20 756.21129 189883-00-9 knapsack NA NA +FL5FAAGS0096 Kaempferol 3-rhamnoside-7,4'-digalactoside C33H40O20 756.21129 - knapsack NA NA +FL5FACGA0016 Quercetin 3-rhamninoside C33H40O20 756.21129 83170-32-5<BR>136667-80-6 knapsack NA NA +FL5FACGA0017 Quercetin 3-isorhamninoside C33H40O20 756.21129 128308-95-2 knapsack NA NA +FL5FACGA0020 Quercetin 3-(2Gal-rhamnosyl-robinobioside) C33H40O20 756.21129 124151-38-8 knapsack NA NA +FL5FACGA0023 Quercetin 3-robinobioside-7-rhamnoside C33H40O20 756.21129 81970-00-5 knapsack NA NA +FL5FACGL0023 Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside C33H40O20 756.21129 32453-37-5 knapsack NA NA +FL5FACGL0024 Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside C33H40O20 756.21129 - knapsack NA NA +FL5FACGL0030 Manghaslin C33H40O20 756.21129 55696-57-6 knapsack NA NA +FL5FACGL0039 Quercetin 3-neohesperidoside-7-rhamnoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one C33H40O20 756.21129 161993-01-7 knapsack NA NA +FL5FACGL0042 Quercetin 3-rutinoside-7-rhamnoside C33H40O20 756.21129 57528-70-8 knapsack NA NA +FL5FACGS0043 Quercetin 3-glucosyl-(1->2)-rhamnoside-7-rhamnoside C33H40O20 756.21129 138989-37-4 knapsack NA NA +FL5FACGS0060 Quercetin 3-O-[6''-O-rhamnosyl)glucoside] 7-O-rhamnoside C33H40O20 756.21129 - knapsack NA NA +FL5FACGS0080 Quercetin 3-rhamnosyl-(1->4)-rhamnoside-7-galactoside C33H40O20 756.21129 - knapsack NA NA +FL5FADGA0011 Isorhamnetin 3-xylosylrhamnosyl-(1->6)-galactoside C33H40O20 756.21129 - knapsack NA NA +FL5FADGL0020 Isorhamnetin 3-(2G-apiosylrutinoside) C33H40O20 756.21129 165605-18-5 knapsack NA NA +FL5FADGL0023 Isorhamnetin 3-apiosyl-(1->6)-glucoside-7-rhamnoside C33H40O20 756.21129 115330-91-1 knapsack NA NA +FL5FADGS0023 Isorhamnetin 3-xylosyl-(1->3)-rhamnosyl-(1->6)-glucoside;Quercetin 3'-methyl ether 3-xylosyl-(1->3)-rhamnosyl-(1->6)-glucoside C33H40O20 756.21129 - knapsack NA NA +FL5FADGS0025 Isorhamnetin 3-xylosyl-(1->2)-glucoside-7-rhamnoside;Quercetin 3'-methyl ether 3-xylosyl-(1->2)-glucoside-7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one C33H40O20 756.21129 142059-78-7 knapsack NA NA +FL5FCAGL0006 Rhamnocitrin 3-apiosyl-(1->2)-glucoside-4'-glucoside C33H40O20 756.21129 142473-99-2 knapsack NA NA +FL5FCDGS0004 Retamatrioside;Rhamnazin 3-glucosyl-(1->5)-[apiosyl-(1->2)-alpha-L-arabinofuranoside];Quercetin 7,3'-dimethyl ether 3-glucosyl-(1->5)-[apiosyl-(1->2)-alpha-L-arabinofuranoside];3-[[O-D-apio-beta-D-furanosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->5)]-alpha-L-arabinofuranosyl]oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C33H40O20 756.21129 259140-40-4 knapsack NA NA +MJ093260 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-[?-D-xylopyranosyl-(1?2)]-?-D-glucopyranoside] C33H40O20 756.211293 NA MeJP NA NA +MJ093261 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093262 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 3'-O-?-D-glucopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093263 3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093264 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-galactopyranoside] C33H40O20 756.211293 NA MeJP NA NA +MJ093265 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[Xylosyl-(1??)-[?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside]] C33H40O20 756.211293 NA MeJP NA NA +MJ093266 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093267 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093268 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-D-galactopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093269 3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)-[?-D-glucopyranosyl-(1?5)]-?-L-arabinofuranoside] C33H40O20 756.211293 NA MeJP NA NA +MJ093270 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Apiofuranosyl, 6''-O-?-L-rhamnopyranosyl C33H40O20 756.211293 NA MeJP NA NA +MJ093271 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Xylopyranosyl, 7-O-?-L-rhamnopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093272 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-D-Apiofuranosyl, 7-O-?-L-rhamnopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093273 4',5,7-Trihydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093274 4',5,7-Trihydroxyisoflavone; 7-(Diglucorhamnoside) C33H40O20 756.211293 NA MeJP NA NA +MJ093275 Afzelin; 2'',3''-Di-O-?-D-glucopyranosyl C33H40O20 756.211293 NA MeJP NA NA +MJ093276 Astragalin; 2''-O-?-D-Galactopyranosyl, 6''-O-?-L-rhamnopyranosyl C33H40O20 756.211293 NA MeJP NA NA +MJ093277 Astragalin; 2''-O-?-D-Glucopyranosyl, 6''-O-?-L-rhamnopyranosyl C33H40O20 756.211293 NA MeJP NA NA +MJ093278 Astragalin; 2''-O-?-L-Rhamnopyranosyl, 3''-O-?-D-glucopyranosyl C33H40O20 756.211293 NA MeJP NA NA +MJ093279 Astragalin; 2''-O-?-L-Rhamnopyranosyl, 7-O-?-D-glucopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093280 Astragalin; 3''-O-?-D-Glucopyranosyl, 7-O-?-L-rhamnopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093281 Astragalin; 6''-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl] C33H40O20 756.211293 NA MeJP NA NA +MJ093282 Cosmosiin; 2''-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl] C33H40O20 756.211293 NA MeJP NA NA +MJ093283 Cosmosiin; 4''-O-?-D-Glucopyranosyl, 4'-O-?-D-glucopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093284 Hyperin; 2'',6''-Di-O-?-L-rhamnopyranosyl C33H40O20 756.211293 NA MeJP NA NA +MJ093285 Hyperin; 6''-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl] C33H40O20 756.211293 NA MeJP NA NA +MJ093286 Hyperin; 6''-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl] C33H40O20 756.211293 NA MeJP NA NA +MJ093287 Isoorientin; 3'-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C33H40O20 756.211293 NA MeJP NA NA +MJ093288 Isoorientin; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C33H40O20 756.211293 NA MeJP NA NA +MJ093289 Isoquercitrin; 6''-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl] C33H40O20 756.211293 NA MeJP NA NA +MJ093290 Isovitexin; 2''-O-?-D-Galactopyranosyl, 7-O-?-D-galactopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093291 Isovitexin; 2''-O-?-D-Glucopyranosyl, 4'-O-?-D-glucopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093292 Isovitexin; 2''-O-?-D-Glucopyranosyl, 7-O-?-D-galactopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093293 Isovitexin; 2''-O-?-D-Glucopyranosyl, 7-O-?-D-glucopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093294 Isovitexin; 4',7-Di-O-?-D-glucopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093295 Isovitexin; O''-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranosyl] C33H40O20 756.211293 NA MeJP NA NA +MJ093296 Lucenin 2; 7-O-?-L-Rhamnopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093297 Orientin; 2''-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranosyl] C33H40O20 756.211293 NA MeJP NA NA +MJ093298 Orientin; 2''-O-?-L-Rhamnopyranosyl, 4'-O-?-D-glucopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093299 Populnin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C33H40O20 756.211293 NA MeJP NA NA +MJ093300 Populnin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C33H40O20 756.211293 NA MeJP NA NA +MJ093301 Populnin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C33H40O20 756.211293 NA MeJP NA NA +MJ093302 Populnin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C33H40O20 756.211293 NA MeJP NA NA +MJ093303 Populnin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C33H40O20 756.211293 NA MeJP NA NA +MJ093304 Quercitrin; 2''-O-?-D-Glucopyranosyl, 7-O-?-L-rhamnopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093305 Rutin; 2'''-O-?-L-Rhamnopyranosyl C33H40O20 756.211293 NA MeJP NA NA +MJ093306 Rutin; 2''-O-?-L-Rhamnopyranosyl C33H40O20 756.211293 NA MeJP NA NA +MJ093307 Rutin; 7-O-?-L-Rhamnopyranoside C33H40O20 756.211293 NA MeJP NA NA +MJ093308 Trifolin; 6''-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl] C33H40O20 756.211293 NA MeJP NA NA +MJ093309 Trifolin; 6''-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranosyl] C33H40O20 756.211293 NA MeJP NA NA +MJ093310 Trifolin; O''-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranosyl] C33H40O20 756.211293 NA MeJP NA NA +MJ093311 Vicenin 2; 6''-O-?-D-Glucopyranosyl C33H40O20 756.211293 NA MeJP NA NA +MJ093312 Vincetoxicoside B; 3-O-[?-L-Rhamnofuranosyl-(1?6)-?-D-glucopyranoside] C33H40O20 756.211293 NA MeJP NA NA +MJ093313 Vincetoxicoside B; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C33H40O20 756.211293 NA MeJP NA NA +MJ093314 Vincetoxicoside B; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C33H40O20 756.211293 NA MeJP NA NA +MJ093315 Vitexin; 2''-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl] C33H40O20 756.211293 NA MeJP NA NA +MJ093316 Vitexin; 6''-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] C33H40O20 756.211293 NA MeJP NA NA +MJ093317 ?-Rhamnoisorobin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C33H40O20 756.211293 NA MeJP NA NA +MJ093318 ?-Rhamnoisorobin; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C33H40O20 756.211293 NA MeJP NA NA +MJ093319 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-L-rhamnopyranoside C33H41O20(+) 756.211293 NA MeJP NA NA +MJ093320 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C33H41O20(+) 756.211293 NA MeJP NA NA +MJ093321 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 7-O-?-D-glucopyranoside C33H41O20(+) 756.211293 NA MeJP NA NA +MJ093322 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranosyl-(1??)-?-D-glucopyranoside] C33H41O20(+) 756.211293 NA MeJP NA NA +MetaCyc04107 kaempferol-3-O-gentiobioside-7-O-rhamnoside [kaempferol-3-O-[glucopyranosyl(1-6)glucopyranoside]-7-O-rhamnopyranoside;] C33H40O20 756.211294 NA metacyc NA NA +PJ028236 DDDMMM C27H44N6O13S3 756.2129 NA PeJP NA NA +PJ028237 GCCCWW C33H40N8O7S3 756.2182 NA PeJP NA NA +MJ093323 Esperamicin X C36H40N2O14S 756.220024 NA MeJP NA NA +MJ093324 4,4'-[2-[2-(3,4-Dihydroxyphenyl)ethenyl]-4,6-dihydroxy-1,3-phenylene]bis[3,4-dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-3,7-diol] C44H36O12 756.220676 NA MeJP NA NA +PJ028238 GSSCCDW C29H40N8O12S2 756.2207 NA PeJP NA NA +PJ028239 GSSSSCDD C25H40N8O17S 756.2232 NA PeJP NA NA +PJ028240 GSCNDMM C26H44N8O12S3 756.2241 NA PeJP NA NA +PJ028241 DDDDMF C30H40N6O15S 756.2273 NA PeJP NA NA +PJ028242 CDDMHH C28H40N10O11S2 756.232 NA PeJP NA NA +PJ028243 GSCCCER C25H44N10O11S3 756.2353 NA PeJP NA NA +PJ028244 CNNDEY C29H40N8O14S 756.2385 NA PeJP NA NA +PJ028245 SCCQMW C30H44N8O9S3 756.2394 NA PeJP NA NA +PJ028246 SSSCNEM C26H44N8O14S2 756.2419 NA PeJP NA NA +PJ028247 CNQMMM C27H48N8O9S4 756.2427 NA PeJP NA NA +PJ028248 GGGACMMM C27H48N8O9S4 756.2428 NA PeJP NA NA +PJ028249 GSCCNHH C27H40N12O10S2 756.2432 NA PeJP NA NA +PJ028250 SDDEEY C30H40N6O17 756.245 NA PeJP NA NA +PJ028251 PCDEMY C31H44N6O12S2 756.2459 NA PeJP NA NA +FL2FAEGS0006 5,7,3'-Trihydroxy-4'-methoxyflavanone 7-(2,6-dirhamnosylglucoside) C34H44O19 756.24767 97218-30-9 knapsack NA NA +FL2FBAGS0003 7,4'-Dihydroxy-5-methoxyflavanone 7-neohesperidoside-4'-glucoside C34H44O19 756.24767 203193-15-1 knapsack NA NA +MJ093325 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Apiofuranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C34H44O19 756.247679 NA MeJP NA NA +MJ093326 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Apiofuranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] C34H44O19 756.247679 NA MeJP NA NA +MJ093327 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Apiofuranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C34H44O19 756.247679 NA MeJP NA NA +MJ093328 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C34H44O19 756.247679 NA MeJP NA NA +MJ093329 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Arabinopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C34H44O19 756.247679 NA MeJP NA NA +MJ093330 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3-hydroxy-4-O-?-D-xylopyranosyloxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C34H44O19 756.247679 NA MeJP NA NA +MJ093331 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[?-D-apiofuranosyl-(1?2)]-[3,4-dihydroxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] C34H44O19 756.247679 NA MeJP NA NA +MJ093332 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[?-L-arabinopyranosyl-(1?6)][3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C34H44O19 756.247679 NA MeJP NA NA +MJ093333 3',5,7-Trihydroxy-4'-methoxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C34H44O19 756.247679 NA MeJP NA NA +MJ093334 4',5,7-Trihydroxyflavanone, 5-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside C34H44O19 756.247679 NA MeJP NA NA +MJ093335 Calceolarioside E; 2-O-?-L-Rhamnopyranosyl C34H44O19 756.247679 NA MeJP NA NA +MJ093336 Ehrenoside C34H44O19 756.247679 NA MeJP NA NA +MJ093337 Forsythoside B C34H44O19 756.247679 NA MeJP NA NA +MJ093338 Forsythoside F C34H44O19 756.247679 NA MeJP NA NA +MJ093339 Pedicularioside A C34H44O19 756.247679 NA MeJP NA NA +MJ093340 Teucrioside C34H44O19 756.247679 NA MeJP NA NA +C10479 Myricoside C34H44O19 756.2477 NA KEGG NA NA +PJ028252 SEEMMM C28H48N6O12S3 756.2493 NA PeJP NA NA +PJ028253 GPCNDDH C28H40N10O13S 756.2497 NA PeJP NA NA +PJ028254 GGGPCDDH C28H40N10O13S 756.2498 NA PeJP NA NA +PJ028255 SCCCRW C29H44N10O8S3 756.2506 NA PeJP NA NA +PJ028256 SSSCCDR C25H44N10O13S2 756.2531 NA PeJP NA NA +PJ028257 GCNDYW C33H40N8O11S 756.2538 NA PeJP NA NA +PJ028258 CCNMMR C26H48N10O8S4 756.254 NA PeJP NA NA +PJ028259 GSSNDDY C29H40N8O16 756.2563 NA PeJP NA NA +MJ093341 Sorocein C C45H40O11 756.257062 NA MeJP NA NA +PJ028260 GSSSCMW C30H44N8O11S2 756.2571 NA PeJP NA NA +PJ028261 GSSSSSDM C26H44N8O16S 756.2596 NA PeJP NA NA +PJ028262 GSSNMMM C27H48N8O11S3 756.2605 NA PeJP NA NA +MJ093342 Scoloposide E C38H44O16 756.262935 NA MeJP NA NA +PJ028263 VCDEEY C31H44N6O14S 756.2636 NA PeJP NA NA +PJ028264 GEEEMY C31H44N6O14S 756.2637 NA PeJP NA NA +PJ028265 PCEMMF C32H48N6O9S3 756.2645 NA PeJP NA NA +PJ028266 NNDEEH C28H40N10O15 756.2675 NA PeJP NA NA +PJ028267 VDMMMM C29H52N6O9S4 756.2679 NA PeJP NA NA +PJ028268 CCNDFR C29H44N10O10S2 756.2684 NA PeJP NA NA +PJ028269 GSTCCMR C26H48N10O10S3 756.2717 NA PeJP NA NA +PJ028270 GCNMFW C34H44N8O8S2 756.2724 NA PeJP NA NA +PJ028271 SSSSTCW C30H44N8O13S 756.2749 NA PeJP NA NA +PJ028272 SCCKMW C31H48N8O8S3 756.2758 NA PeJP NA NA +PJ028273 SSSSSSSE C26H44N8O18 756.2774 NA PeJP NA NA +MJ093343 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,2,8-Tribenzoyl, 6,9,14-tri-Ac C42H44O13 756.278191 NA MeJP NA NA +MJ093344 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, Tribenzoyl, tri-Ac C42H44O13 756.278191 NA MeJP NA NA +PJ028274 SSSSQMM C27H48N8O13S2 756.2782 NA PeJP NA NA +PJ028275 GGSSSTMM C27H48N8O13S2 756.2783 NA PeJP NA NA +PJ028276 GSNNNDH C27H40N12O14 756.2787 NA PeJP NA NA +PJ028277 GGGGGGGSDH C27H40N12O14 756.2788 NA PeJP NA NA +PJ028278 EEMYW C35H44N6O11S 756.2789 NA PeJP NA NA +PJ028279 CNKMMM C28H52N8O8S4 756.2791 NA PeJP NA NA +PJ028280 STEEEY C31H44N6O16 756.2814 NA PeJP NA NA +PJ028281 SPEMMY C32H48N6O11S2 756.2823 NA PeJP NA NA +PJ028282 GNDEHW C32H40N10O12 756.2828 NA PeJP NA NA +PJ028283 SCNDRY C29H44N10O12S 756.2861 NA PeJP NA NA +PJ028284 AMMMHH C30H48N10O7S3 756.287 NA PeJP NA NA +PJ028285 SCHHHH C30H40N14O8S 756.2875 NA PeJP NA NA +PJ028286 SSSSCMR C26H48N10O12S2 756.2895 NA PeJP NA NA +PJ028287 GSNMYW C34H44N8O10S 756.2901 NA PeJP NA NA +PJ028288 GGGGPCFY C34H44N8O10S 756.2902 NA PeJP NA NA +PJ028289 GSSSQEY C30H44N8O15 756.2926 NA PeJP NA NA +PJ028290 LDDEEH C30H44N8O15 756.2927 NA PeJP NA NA +PJ028291 GQQMMY C31H48N8O10S2 756.2935 NA PeJP NA NA +PJ028292 PDDHHH C31H40N12O11 756.294 NA PeJP NA NA +PJ028293 GSSSSTTM C27H48N8O15S 756.296 NA PeJP NA NA +PJ028294 GPEEYY C35H44N6O13 756.2967 NA PeJP NA NA +PJ028295 GSTCKMM C28H52N8O10S3 756.2969 NA PeJP NA NA +PJ028296 NNNQMH C28H44N12O11S 756.2973 NA PeJP NA NA +PJ028297 GGNNQMH C28H44N12O11S 756.2974 NA PeJP NA NA +PJ028298 PPCMFY C36H48N6O8S2 756.2975 NA PeJP NA NA +PJ028299 NDHWW C36H40N10O9 756.298 NA PeJP NA NA +PJ028300 SVEEMY C32H48N6O13S 756.3 NA PeJP NA NA +PJ028301 PCLMMY C33H52N6O8S3 756.3009 NA PeJP NA NA +PJ028302 SPCQHW C33H44N10O9S 756.3014 NA PeJP NA NA +PJ028303 SQQEEH C29H44N10O14 756.3039 NA PeJP NA NA +PJ028304 TLMMMM C30H56N6O8S4 756.3043 NA PeJP NA NA +PJ028305 GCQMRY C30H48N10O9S2 756.3047 NA PeJP NA NA +PJ028306 GGACMRY C30H48N10O9S2 756.3048 NA PeJP NA NA +PJ028307 GCHFFF C38H44N8O7S 756.3054 NA PeJP NA NA +PJ028308 SSSQYW C34H44N8O12 756.3079 NA PeJP NA NA +PJ028309 CNNNHR C27H44N14O10S 756.3086 NA PeJP NA NA +PJ028310 ACCKFW C35H48N8O7S2 756.3088 NA PeJP NA NA +PJ028311 SNDKMY C31H48N8O12S 756.3113 NA PeJP NA NA +PJ028312 PEYYW C39H44N6O10 756.3119 NA PeJP NA NA +PJ028313 SSSSSTTT C27H48N8O17 756.3138 NA PeJP NA NA +PJ028314 SSSSKMM C28H52N8O12S2 756.3146 NA PeJP NA NA +PJ028315 SNDEHR C28H44N12O13 756.3151 NA PeJP NA NA +PJ028316 GGGGGGGGGGAP C28H44N12O13 756.3152 NA PeJP NA NA +PJ028317 SPPMYY C36H48N6O10S 756.3153 NA PeJP NA NA +PJ028318 GCCRRY C29H48N12O8S2 756.316 NA PeJP NA NA +PJ028319 MHHFW C37H44N10O6S 756.3166 NA PeJP NA NA +PJ028320 ALEMMY C33H52N6O10S2 756.3187 NA PeJP NA NA +PJ028321 GTQEHW C33H44N10O11 756.3191 NA PeJP NA NA +PJ028322 GGGGPEHF C33H44N10O11 756.3192 NA PeJP NA NA +PJ028323 SSNMRY C30H48N10O11S 756.3225 NA PeJP NA NA +PJ028324 NQFYW C38H44N8O9 756.3231 NA PeJP NA NA +PJ028325 GPPDWW C38H44N8O9 756.3232 NA PeJP NA NA +PJ028326 GTCKYW C35H48N8O9S 756.3265 NA PeJP NA NA +PJ028327 GSSSKEY C31H48N8O14 756.329 NA PeJP NA NA +PJ028328 GQKMMY C32H52N8O9S2 756.3299 NA PeJP NA NA +PJ028329 GSDHRW C32H44N12O10 756.3304 NA PeJP NA NA +PJ028330 PPCFFF C40H48N6O7S 756.3306 NA PeJP NA NA +PJ028331 SPVEYY C36H48N6O12 756.333 NA PeJP NA NA +PJ028332 GLEEFY C36H48N6O12 756.3331 NA PeJP NA NA +PJ028333 GQEMHR C29H48N12O10S 756.3337 NA PeJP NA NA +PJ028334 GGAEMHR C29H48N12O10S 756.3338 NA PeJP NA NA +PJ028335 PCLMFF C37H52N6O7S2 756.3339 NA PeJP NA NA +PJ028336 TQHWW C37H44N10O8 756.3344 NA PeJP NA NA +MJ093345 11,12-Dihydroxyhavanensin-28-oic acid, 12-Tigloyl, 1,3,7,11-tetra-Ac, Me ester C40H52O14 756.335706 NA MeJP NA NA +MJ093346 Zaragozic acid C; 4',5'-Dihydro C40H52O14 756.335706 NA MeJP NA NA +PJ028337 TTLEMY C33H52N6O12S 756.3364 NA PeJP NA NA +PJ028338 VVMMMF C34H56N6O7S3 756.3373 NA PeJP NA NA +PJ028339 GVQMHW C34H48N10O8S 756.3378 NA PeJP NA NA +PJ028340 SSPTTQH C30H48N10O13 756.3402 NA PeJP NA NA +PJ028341 GSSSTRY C30H48N10O13 756.3403 NA PeJP NA NA +MJ093347 Michellamine C46H48N2O8 756.341066 NA MeJP NA NA +PJ028342 GCKMRY C31H52N10O8S2 756.3411 NA PeJP NA NA +PJ028343 AQQHHH C31H44N14O9 756.3416 NA PeJP NA NA +PJ028344 SSSKYW C35H48N8O11 756.3443 NA PeJP NA NA +PJ028345 GCEHRR C28H48N14O9S 756.345 NA PeJP NA NA +C15738 Ascidiacyclamide C36H52N8O6S2 756.3451 NA KEGG NA NA +MJ093348 Ascidiacyclamide C36H52N8O6S2 756.345122 NA MeJP NA NA +3600 NA YPFGFCQ~ 756.346 ACE inhibitor Inhouse_peptide NA peptide +3636 NA YPFGFQ~ 756.346 ACE inhibitor Inhouse_peptide NA peptide +PJ028346 STQKMY C32H52N8O11S 756.3476 NA PeJP NA NA +PJ028347 GSSCLKY C32H52N8O11S 756.3477 NA PeJP NA NA +MJ093349 RA-V C40H48N6O9 756.348277 NA MeJP NA NA +PJ028348 LEFYW C40H48N6O9 756.3483 NA PeJP NA NA +PJ028349 QMHRW C33H48N12O7S 756.349 NA PeJP NA NA +PJ028350 STQEHR C29H48N12O12 756.3515 NA PeJP NA NA +PJ028351 APLMYY C37H52N6O9S 756.3517 NA PeJP NA NA +PJ028352 GNHHHR C30H44N16O8 756.3528 NA PeJP NA NA +PJ028353 GGGHHHR C30H44N16O8 756.3529 NA PeJP NA NA +PJ028354 SLLMMY C34H56N6O9S2 756.355 NA PeJP NA NA +PJ028355 SPPDRW C34H48N10O10 756.3555 NA PeJP NA NA +MJ093350 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1??)-?-D-glucopyranoside] C37H56O16 756.356835 NA MeJP NA NA +MJ093351 Aldgamycin E; 2,3-Didehydro, 8-hydroxy C37H56O16 756.356835 NA MeJP NA NA +3265 alpha s1-casein (91-96) YLGYLE 756.357 celiac toxic Inhouse_peptide NA peptide +PJ028356 STCKRY C31H52N10O10S 756.3589 NA PeJP NA NA +PJ028357 APPTWW C39H48N8O8 756.3595 NA PeJP NA NA +PJ028358 CHRRW C32H48N14O6S 756.3602 NA PeJP NA NA +MJ093352 Disorazole A1; 16'-Ketone C43H52N2O10 756.362195 NA MeJP NA NA +PJ028359 SSDHRR C28H48N14O11 756.3627 NA PeJP NA NA +PJ028360 PPVQMW C36H52N8O8S 756.3629 NA PeJP NA NA +PJ028361 GSTTTKY C32H52N8O13 756.3654 NA PeJP NA NA +PJ028362 GKKMMY C33H56N8O8S2 756.3663 NA PeJP NA NA +PJ028363 ASTHRW C33H48N12O9 756.3667 NA PeJP NA NA +PJ028364 GTTHRW C33H48N12O9 756.3668 NA PeJP NA NA +PJ028365 GLLEYY C37H52N6O11 756.3694 NA PeJP NA NA +PJ028366 PPCERR C30H52N12O9S 756.3701 NA PeJP NA NA +PJ028367 TKHWW C38H48N10O7 756.3708 NA PeJP NA NA +MJ093353 2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 8-Benzoyl, 2,3-bis(2-methylbutanoyl), 7,9-di-Ac C41H56O13 756.372091 NA MeJP NA NA +PJ028368 ACLKHW C35H52N10O7S 756.3741 NA PeJP NA NA +PJ028369 APPMRW C35H52N10O7S 756.3742 NA PeJP NA NA +PJ028370 PVQEER C31H52N10O12 756.3766 NA PeJP NA NA +PJ028371 GGPLEER C31H52N10O12 756.3767 NA PeJP NA NA +PJ028372 PPNHHR C32H48N14O8 756.378 NA PeJP NA NA +PJ028373 PPTKEW C36H52N8O10 756.3807 NA PeJP NA NA +PJ028374 GTMHRR C29H52N14O8S 756.3814 NA PeJP NA NA +3641 NA YPFGFK~ 756.382 ACE inhibitor Inhouse_peptide NA peptide +PJ028375 STKKMY C33H56N8O10S 756.384 NA PeJP NA NA +PJ028376 GPPVKEM C33H56N8O10S 756.3841 NA PeJP NA NA +PJ028377 LLYYW C41H52N6O8 756.3847 NA PeJP NA NA +PJ028378 KMHRW C34H52N12O6S 756.3854 NA PeJP NA NA +PJ028379 APEERR C30H52N12O11 756.3879 NA PeJP NA NA +PJ028380 ALLMFY C38H56N6O8S 756.3881 NA PeJP NA NA +PJ028381 GPLERW C35H52N10O9 756.3919 NA PeJP NA NA +PJ028382 PPKEMR C32H56N10O9S 756.3953 NA PeJP NA NA +PJ028383 GPVLWW C40H52N8O7 756.3959 NA PeJP NA NA +PJ028384 STTHRR C29H52N14O10 756.3991 NA PeJP NA NA +PJ028385 PPVKMW C37H56N8O7S 756.3993 NA PeJP NA NA +PJ028386 AAPLKEE C33H56N8O12 756.4018 NA PeJP NA NA +PJ028387 LLLMMH C34H60N8O7S2 756.4027 NA PeJP NA NA +PJ028388 GPNKRW C34H52N12O8 756.4031 NA PeJP NA NA +PJ028389 GGGPKRW C34H52N12O8 756.4032 NA PeJP NA NA +PJ028390 SVLLYY C38H56N6O10 756.4058 NA PeJP NA NA +PJ028391 PPTMRR C31H56N12O8S 756.4065 NA PeJP NA NA +PJ028392 PLRWW C39H52N10O6 756.4072 NA PeJP NA NA +MJ093354 Antibiotic VM 44866; 13?,23?-Bis(2-methylpropanoyloxy) C42H60O12 756.408477 NA MeJP NA NA +PJ028393 PVKEER C32H56N10O11 756.413 NA PeJP NA NA +PJ028394 GGGPVDKK C32H56N10O11 756.4131 NA PeJP NA NA +PJ028395 AAHFRR C33H52N14O7 756.4144 NA PeJP NA NA +C15723 Nostocyclopeptide A1 C37H56N8O9 756.417 NA KEGG NA NA +PJ028396 ATKKFY C37H56N8O9 756.417 NA PeJP NA NA +MJ093355 Nostocyclopeptide A1 C37H56N8O9 756.417025 NA MeJP NA NA +PJ028397 PVVKEW C37H56N8O9 756.4171 NA PeJP NA NA +PJ028398 APPTLKM C34H60N8O9S 756.4204 NA PeJP NA NA +PJ028399 ALLFFF C42H56N6O7 756.4211 NA PeJP NA NA +PJ028400 SPLERR C31H56N12O10 756.4243 NA PeJP NA NA +PJ028401 SPVLRW C36H56N10O8 756.4283 NA PeJP NA NA +MJ093356 1,3,16-Trihydroxycholestane-7,23-dione, 1-O-?-L-Rhamnopyranoside, 16-O-?-D-glucopyranoside C39H64O14 756.429606 NA MeJP NA NA +MJ093357 16,22,26-Trihydroxycholest-4-en-3-one, 16-O-[?-D-Glucopyranosyl-(1?3)-?-D-galactopyranoside] C39H64O14 756.429606 NA MeJP NA NA +MJ093358 3,12,14-Trihydroxypregn-5-en-20-one, Glycoside C39H64O14 756.429606 NA MeJP NA NA +MJ093359 8(14),15-Pimaradiene-3,12-diol, 3-O-[3-O-Methyl-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 12-O-[3-O-methyl-?-D-quinovopyranoside] C39H64O14 756.429606 NA MeJP NA NA +MJ093360 Furost-20(22)-ene-1,3,26-triol, 3,26-Di-O-?-D-glucopyranoside C39H64O14 756.429606 NA MeJP NA NA +MJ093361 Spirostane-1,2,3-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C39H64O14 756.429606 NA MeJP NA NA +MJ093362 Spirostane-2,3,12-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C39H64O14 756.429606 NA MeJP NA NA +MJ093363 Spirostane-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] C39H64O14 756.429606 NA MeJP NA NA +MJ093364 Spirostane-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside] C39H64O14 756.429606 NA MeJP NA NA +MJ093365 Spirostane-3,15-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] C39H64O14 756.429606 NA MeJP NA NA +MJ093366 Spirostane-3,5,6-triol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C39H64O14 756.429606 NA MeJP NA NA +MJ093367 Bufotoxin C40H60N4O10 756.430944 NA MeJP NA NA +PJ028402 PLLQMR C33H60N10O8S 756.4317 NA PeJP NA NA +PJ028403 SPNKRR C30H56N14O9 756.4355 NA PeJP NA NA +PJ028404 GPTLLKE C34H60N8O11 756.4382 NA PeJP NA NA +PJ028405 GLKHFR C35H56N12O7 756.4395 NA PeJP NA NA +PJ028406 PVVMRR C32H60N12O7S 756.4429 NA PeJP NA NA +MJ093368 12-Oleanene-3,16,21,23,28-pentol, 3-O-?-D-Glucopyranoside, 16-benzoyl C43H64O11 756.444862 NA MeJP NA NA +MJ093369 Cholesta-5,24-diene-3,11,16,22-tetrol, 24,25-Dihydro, 3-O-[4-methoxybenzoyl(?3)-2-O-acetyl-?-L-rhamnopyranoside] C43H64O11 756.444862 NA MeJP NA NA +MJ093370 Gambierol C43H64O11 756.444862 NA MeJP NA NA +PJ028407 AAQRRR C29H56N16O8 756.4467 NA PeJP NA NA +PJ028408 GGGVRRR C29H56N16O8 756.4468 NA PeJP NA NA +PJ028409 VLLQER C33H60N10O10 756.4494 NA PeJP NA NA +PJ028410 PTLLKW C38H60N8O8 756.4534 NA PeJP NA NA +PJ028411 GGVLLLW C38H60N8O8 756.4535 NA PeJP NA NA +PJ028412 GPVLLKM C35H64N8O8S 756.4568 NA PeJP NA NA +PJ028413 NRRRR C28H56N18O7 756.458 NA PeJP NA NA +PJ028414 ALLERR C32H60N12O9 756.4607 NA PeJP NA NA +PJ028415 GLLLRW C37H60N10O7 756.4647 NA PeJP NA NA +MJ093371 Cycloartane-3,16,24,25,29-pentol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-xylopyranoside] C40H68O13 756.465992 NA MeJP NA NA +MJ093372 Cycloartane-3,16,24,25,30-pentol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-xylopyranoside] C40H68O13 756.465992 NA MeJP NA NA +MJ093373 Cycloartane-3,6,16,24,25-pentol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-xylopyranoside] C40H68O13 756.465992 NA MeJP NA NA +PJ028416 PLLKMR C34H64N10O7S 756.468 NA PeJP NA NA +PJ028417 GLQKRR C31H60N14O8 756.4719 NA PeJP NA NA +PJ028418 AALLLKE C35H64N8O10 756.4746 NA PeJP NA NA +PJ028419 AAKRRR C30H60N16O7 756.4831 NA PeJP NA NA +PJ028420 VLLKER C34H64N10O9 756.4858 NA PeJP NA NA +PJ028421 VVLLKW C39H64N8O7 756.4898 NA PeJP NA NA +PJ028422 SLLLRR C33H64N12O8 756.497 NA PeJP NA NA +PJ028423 GLKKRR C32H64N14O7 756.5083 NA PeJP NA NA +PJ028424 GTLLLLK C36H68N8O9 756.511 NA PeJP NA NA +PJ028425 LLQKKK C35H68N10O8 756.5222 NA PeJP NA NA +PJ028426 VVKKKR C34H68N12O7 756.5334 NA PeJP NA NA +PJ028427 LLKKKK C36H72N10O7 756.5586 NA PeJP NA NA +MJ093374 1,2-Di-O-acylglycerols; Glycerol 2-(9Z-octadecenoate) 1-hexadecanoate, 3-O-?-D-Galactopyranoside C43H80O10 756.575148 NA MeJP NA NA +MetaCyc04108 1-18:1-2-16:0-monogalactosyldiacylglycerol [] C43H80O10 756.575149 NA metacyc NA NA +MJ093375 Manzamenone A; Me ester C47H80O7 756.590404 NA MeJP NA NA +EUR1094 SM(d18:1/20:1) monoisotopic mass C43H85N2O6P 756.614526 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1094 SM(d18:1/20:1) monoisotopic mass C43H85N2O6P 756.614526 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1094 SM(d18:1/20:1) monoisotopic mass C43H85N2O6P 756.614526 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1094 SM(d18:1/20:1) monoisotopic mass C43H85N2O6P 756.614526 masses lipides attendues Inhousejuil11 NA NA +HMDB07702 DG(22:4(7Z,10Z,13Z,16Z)/24:0/0:0) C49H88O5 756.663147 NA HMDB2010 NA NA +HMDB07814 DG(24:0/22:4(7Z,10Z,13Z,16Z)/0:0) C49H88O5 756.663147 NA HMDB2010 NA NA +MJ093376 7,13-Labdadiene-15,17-diol, 15-(30-Hydroxytriacontanoyl) C50H92O4 756.699561 NA MeJP NA NA +MJ093377 7,13-Labdadiene-3,15-diol, 15-(30-Hydroxytriacontanoyl) C50H92O4 756.699561 NA MeJP NA NA +MJ093378 Araplysillin III C22H23Br4N3O7 756.82695 NA MeJP NA NA +7035 synthetic peptide from alpha-gliadin QQLPQFEEIRNL 756.88695 MH2+ Inhouse_peptide NA peptide +MJ093379 7-[[(2-Amino-4-thiazolyl)[[carboxy(3,4-dihydroxyphenyl)methoxy]imino]acetyl]amino]-3-[[(2-carboxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid C28H23N9O11S3 757.067914 NA MeJP NA NA +PJ028428 SCCCCCH C24H39N9O9S5 757.1475 NA PeJP NA NA +PJ028429 PCCCCDD C25H39N7O12S4 757.154 NA PeJP NA NA +PJ028430 ACCCDDE C25H39N7O14S3 757.1717 NA PeJP NA NA +PJ028431 GCCDDDM C25H39N7O14S3 757.1718 NA PeJP NA NA +PJ028432 SCCCNND C24H39N9O13S3 757.183 NA PeJP NA NA +PJ028433 CCCDEW C29H39N7O11S3 757.187 NA PeJP NA NA +PJ028434 SSCCDDE C25H39N7O16S2 757.1895 NA PeJP NA NA +PJ028435 SPCCCDM C26H43N7O11S4 757.1904 NA PeJP NA NA +FL7AAAGA0006 Pelargonidin 3-[2''-(2'''-trans-caffeoyl-beta-D-glucopyranosyl)-beta-D-galactopyranoside] C36H37O18 757.19798 202338-37-2 knapsack NA NA +FL7AAAGL0019 Pelargonidin 3-[6-(3-glucosylcaffeyl) glucoside] C36H37O18 757.19798 - knapsack NA NA +FL7AAAGL0028 Bisdemalonylsalvianin C36H37O18 757.19798 128508-44-1 knapsack NA NA +FL7AACGA0007 Cyanidin 3-galactoside-5-(6-p-coumarylglucoside) C36H37O18 757.19798 151676-99-2 knapsack NA NA +FL7AACGL0035 Cyanidin 3-(6''-p-coumarylsophoroside) C36H37O18 757.19798 - knapsack NA NA +FL7AACGL0042 Cyanidin 3-(4'''-caffeylrutinoside) C36H37O18 757.19798 68156-54-7 knapsack NA NA +FL7AACGL0048 Perillanin;Cyanidin 3-(6-p-coumaroylglucoside)-5-glucoside C36H37O18 757.19798 152885-69-3 knapsack NA NA +FL7AACGL0049 Gentiocyanin C;Cyanidin 3-glucoside-5-(6-p-coumaroylglucoside) C36H37O18 757.19798 170900-28-4 knapsack NA NA +FL7AACGL0107 Cyanidin 3-(6''-(Z)-p-coumarylsophoroside) C36H37O18 757.19798 - knapsack NA NA +MetaCyc04109 pelargonidin-3,5-diglucoside-5-O-caffeoylglucoside [] C36H37O18 757.197989 NA metacyc NA NA +MetaCyc04110 bisdemalonylsalvianin [pelargonidin 3-O-(6-caffeoyl-β-D-glucoside) 5-O-β-D glucoside;] C36H37O18 757.197989 NA metacyc NA NA +C12096 Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside C36H37O18 757.198 NA KEGG NA NA +C12640 Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside C36H37O18 757.198 NA KEGG NA NA +C16350 Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside) C36H37O18 757.198 NA KEGG NA NA +C16371 Pelargonidin 3-glucoside 5-caffeoylglucoside C36H37O18 757.198 NA KEGG NA NA +PJ028436 GCCCNQM C25H43N9O10S4 757.2016 NA PeJP NA NA +MJ093380 Adenomycin C25H39N7O18S 757.207228 NA MeJP NA NA +PJ028437 GSCDDMM C26H43N7O13S3 757.2081 NA PeJP NA NA +PJ028438 APCCCMM C27H47N7O8S5 757.209 NA PeJP NA NA +PJ028439 GCCCCNR C24H43N11O9S4 757.2128 NA PeJP NA NA +PJ028440 GGGCCCCR C24H43N11O9S4 757.2129 NA PeJP NA NA +C12646 Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside C33H41O20 757.2191 NA KEGG NA NA +FL7AAAGL0008 Pelargonidin 3-gentiotrioside C33H41O20 757.21911 - knapsack NA NA +FL7AAAGL0012 Rubrobrassicin;Pelargonidin-3-sophoroside-5-glucoside C33H41O20 757.21911 75093-88-8 knapsack NA NA +FL7AAAGL0014 Pelargonidin 3-sophoroside-7-glucoside C33H41O20 757.21911 86279-08-5 knapsack NA NA +FL7AACGL0016 Cyanidin 3-(2G-glucosylrutinoside) C33H41O20 757.21911 34443-62-4 knapsack NA NA +FL7AACGL0019 Cyanidin 3-rutinoside-5-glucoside C33H41O20 757.21911 62024-14-0 knapsack NA NA +FL7AACGL0020 Cyanidin 3-rutinoside-3'-glucoside C33H41O20 757.21911 - knapsack NA NA +FL7AACGL0092 Cyanidin 3-O-beta-rutinoside-7-O-beta-glucoside C33H41O20 757.21911 - knapsack NA NA +FL7AAGGA0005 Vincanin A C33H41O20 757.21911 68600-14-6 knapsack NA NA +FL7AAHGL0024 Petunidin 3-[6-(rhamnosyl)-2-(xylosyl)glucoside] C33H41O20 757.21911 - knapsack NA NA +MetaCyc04111 cyanidin-3-O-[D-rhamnosyl-(1,6)-D-glucoside]-5-O-D-glucoside [cyanidin-3-O-rhamnosylglucoside, 5-O-D-glucoside;] C33H41O20 757.219119 NA metacyc NA NA +PJ028441 SSCCNNM C25H43N9O12S3 757.2194 NA PeJP NA NA +PJ028442 CNDDEY C29H39N7O15S 757.2225 NA PeJP NA NA +PJ028443 SCCEMW C30H43N7O10S3 757.2234 NA PeJP NA NA +PJ028444 SSSCDEM C26H43N7O15S2 757.2259 NA PeJP NA NA +PJ028445 SSPCCMM C27H47N7O10S4 757.2267 NA PeJP NA NA +PJ028446 CNEMMM C27H47N7O10S4 757.2268 NA PeJP NA NA +MJ093381 Storniamide D; 3',3''-Dideoxy C42H35N3O11 757.227158 NA MeJP NA NA +PJ028447 GSCCDHH C27H39N11O11S2 757.2272 NA PeJP NA NA +PJ028448 GPCDDDH C28H39N9O14S 757.2338 NA PeJP NA NA +PJ028449 GSSSSCCQ C25H43N9O14S2 757.2371 NA PeJP NA NA +PJ028450 GCDDYW C33H39N7O12S 757.2378 NA PeJP NA NA +PJ028451 CCDMMR C26H47N9O9S4 757.238 NA PeJP NA NA +PJ028452 PCCCFW C34H43N7O7S3 757.2386 NA PeJP NA NA +PJ028453 GSSDDDY C29H39N7O17 757.2403 NA PeJP NA NA +PJ028454 GSPCCEY C30H43N7O12S2 757.2411 NA PeJP NA NA +PJ028455 GCMMMW C31H47N7O7S4 757.242 NA PeJP NA NA +PJ028456 GSSDMMM C27H47N7O12S3 757.2445 NA PeJP NA NA +PJ028457 CCQMHH C28H43N11O8S3 757.2459 NA PeJP NA NA +PJ028458 NDDEEH C28H39N9O16 757.2515 NA PeJP NA NA +PJ028459 CNNNMY C29H43N9O11S2 757.2524 NA PeJP NA NA +PJ028460 SSSSSSCN C25H43N9O16S 757.2549 NA PeJP NA NA +PJ028461 SSCCCQK C26H47N9O11S3 757.2557 NA PeJP NA NA +PJ028462 GGSTCCCK C26H47N9O11S3 757.2558 NA PeJP NA NA +PJ028463 SPCCYW C34H43N7O9S2 757.2564 NA PeJP NA NA +PJ028464 CCCHHR C27H43N13O7S3 757.2571 NA PeJP NA NA +PJ028465 SNDEMY C30H43N7O14S 757.2589 NA PeJP NA NA +PJ028466 STCMMW C31H47N7O9S3 757.2598 NA PeJP NA NA +PJ028467 SSSSEMM C27H47N7O14S2 757.2623 NA PeJP NA NA +PJ028468 GSNNDDH C27H39N11O15 757.2627 NA PeJP NA NA +PJ028469 GGGSNDDH C27H39N11O15 757.2628 NA PeJP NA NA +PJ028470 SQMMMM C28H51N7O9S4 757.2631 NA PeJP NA NA +PJ028471 GSSCMHH C28H43N11O10S2 757.2636 NA PeJP NA NA +PJ028472 GDDEHW C32H39N9O13 757.2668 NA PeJP NA NA +PJ028473 SCDDRY C29H43N9O13S 757.2701 NA PeJP NA NA +PJ028474 APPCCMH C30H47N9O8S3 757.271 NA PeJP NA NA +MJ093382 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 3-Pyridinecarbonyl, dibenzoyl, tri-Ac C41H43NO13 757.27344 NA MeJP NA NA +MJ093383 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 1,9-dibenzoyl, 2,6,14-tri-Ac C41H43NO13 757.27344 NA MeJP NA NA +PJ028475 GSSSSCCK C26H47N9O13S2 757.2735 NA PeJP NA NA +PJ028476 GSDMYW C34H43N7O11S 757.2742 NA PeJP NA NA +PJ028477 SCMMMR C27H51N9O8S4 757.2744 NA PeJP NA NA +PJ028478 GSSSEEY C30H43N7O16 757.2766 NA PeJP NA NA +PJ028479 GPPDDEE C30H43N7O16 757.2767 NA PeJP NA NA +PJ028480 GQEMMY C31H47N7O11S2 757.2775 NA PeJP NA NA +PJ028481 CFYYY C39H43N5O9S 757.2782 NA PeJP NA NA +PJ028482 GSTTMMM C28H51N7O11S3 757.2809 NA PeJP NA NA +PJ028483 SSSTCHH C28H43N11O12S 757.2814 NA PeJP NA NA +PJ028484 DDHWW C36H39N9O10 757.282 NA PeJP NA NA +PJ028485 CCKMHH C29H47N11O7S3 757.2822 NA PeJP NA NA +PJ028486 SPCEHW C33H43N9O10S 757.2854 NA PeJP NA NA +PJ028487 SSSSNNY C29H43N9O15 757.2879 NA PeJP NA NA +PJ028488 GCEMRY C30H47N9O10S2 757.2888 NA PeJP NA NA +PJ028489 TCYWW C38H43N7O8S 757.2894 NA PeJP NA NA +PJ028490 SSSEYW C34H43N7O13 757.2919 NA PeJP NA NA +PJ028491 SSCCCKK C27H51N9O10S3 757.2921 NA PeJP NA NA +PJ028492 CNNDHR C27H43N13O11S 757.2926 NA PeJP NA NA +PJ028493 QMMYW C35H47N7O8S2 757.2928 NA PeJP NA NA +MJ093384 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 2-(3-furancarbonyl), 8,14-bis(2-methylpropanoyl), 1,6-di-Ac C38H47NO15 757.294569 NA MeJP NA NA +PJ028494 STQEMY C31H47N7O13S 757.2953 NA PeJP NA NA +PJ028495 SYYYY C39H43N5O11 757.2959 NA PeJP NA NA +PJ028496 AQMMMF C32H51N7O8S3 757.2961 NA PeJP NA NA +PJ028497 GAAMMMF C32H51N7O8S3 757.2962 NA PeJP NA NA +PJ028498 GNNMHW C32H43N11O9S 757.2966 NA PeJP NA NA +MJ093385 Ashimycin A C27H47N7O18 757.297757 NA MeJP NA NA +PJ028499 SSTTTMM C28H51N7O13S2 757.2986 NA PeJP NA NA +PJ028500 SDDEHR C28H43N11O14 757.2991 NA PeJP NA NA +PJ028501 GGGGGGGGGPE C28H43N11O14 757.2992 NA PeJP NA NA +PJ028502 SKMMMM C29H55N7O8S4 757.2995 NA PeJP NA NA +PJ028503 PCDMHR C29H47N11O9S2 757.3 NA PeJP NA NA +PJ028504 GNNQYY C33H43N9O12 757.3031 NA PeJP NA NA +PJ028505 GTEEHW C33H43N9O12 757.3032 NA PeJP NA NA +PJ028506 CMRYW C34H47N9O7S2 757.304 NA PeJP NA NA +PJ028507 SSDMRY C30H47N9O12S 757.3065 NA PeJP NA NA +PJ028508 NEFYW C38H43N7O10 757.3072 NA PeJP NA NA +PJ028509 ACMMFR C31H51N9O7S3 757.3074 NA PeJP NA NA +PJ028510 PCQHHH C31H43N13O8S 757.3079 NA PeJP NA NA +MJ093386 Bis(gorgiacerol)amine C42H47NO12 757.309825 NA MeJP NA NA +PJ028511 GTTMYW C35H47N7O10S 757.3105 NA PeJP NA NA +PJ028512 GGAEMFF C35H47N7O10S 757.3106 NA PeJP NA NA +PJ028513 GSTTTEY C31H47N7O15 757.313 NA PeJP NA NA +PJ028514 GPPTEEE C31H47N7O15 757.3131 NA PeJP NA NA +PJ028515 GKEMMY C32H51N7O10S2 757.3139 NA PeJP NA NA +PJ028516 SSNQHW C32H43N11O11 757.3144 NA PeJP NA NA +PJ028517 NNDKMH C29H47N11O11S 757.3177 NA PeJP NA NA +PJ028518 GEEMHR C29H47N11O11S 757.3178 NA PeJP NA NA +PJ028519 TEHWW C37H43N9O9 757.3184 NA PeJP NA NA +PJ028520 GVEMHW C34H47N9O9S 757.3218 NA PeJP NA NA +PJ028521 GFYWW C42H43N7O7 757.3224 NA PeJP NA NA +PJ028522 SKEEEH C30H47N9O14 757.3243 NA PeJP NA NA +PJ028523 GTMMRY C31H51N9O9S2 757.3251 NA PeJP NA NA +PJ028524 GGCCKKY C31H51N9O9S2 757.3252 NA PeJP NA NA +PJ028525 AQEHHH C31H43N13O10 757.3256 NA PeJP NA NA +PJ028526 QMFFW C39H47N7O7S 757.3258 NA PeJP NA NA +PJ028527 STTTYW C35H47N7O12 757.3283 NA PeJP NA NA +PJ028528 SNNMHR C28H47N13O10S 757.329 NA PeJP NA NA +PJ028529 KMMYW C36H51N7O7S2 757.3292 NA PeJP NA NA +PJ028530 GNHHFF C36H43N11O8 757.3296 NA PeJP NA NA +PJ028531 GGGHHFF C36H43N11O8 757.3297 NA PeJP NA NA +3592 NA YPFGFE~ 757.33 ACE inhibitor Inhouse_peptide NA peptide +3698 NA YPFGFAG 757.33 ACE inhibitor Inhouse_peptide NA peptide +PJ028532 STKEMY C32H51N7O12S 757.3317 NA PeJP NA NA +PJ028533 AKMMMF C33H55N7O7S3 757.3325 NA PeJP NA NA +PJ028534 EMHRW C33H47N11O8S 757.333 NA PeJP NA NA +PJ028535 STEEHR C29H47N11O13 757.3355 NA PeJP NA NA +PJ028536 SPMMHR C30H51N11O8S2 757.3364 NA PeJP NA NA +PJ028537 GDHHHR C30H43N15O9 757.3369 NA PeJP NA NA +PJ028538 VMHWW C38H47N9O6S 757.337 NA PeJP NA NA +PJ028539 SSLEHW C34H47N9O11 757.3395 NA PeJP NA NA +PJ028540 GGGGPVEW C34H47N9O11 757.3396 NA PeJP NA NA +PJ028541 AAHHHW C35H43N13O7 757.3409 NA PeJP NA NA +PJ028542 STTMRY C31H51N9O11S 757.3429 NA PeJP NA NA +PJ028543 VQYYW C39H47N7O9 757.3435 NA PeJP NA NA +PJ028544 GGLYYW C39H47N7O9 757.3436 NA PeJP NA NA +PJ028545 PCKHHH C32H47N13O7S 757.3443 NA PeJP NA NA +PJ028546 GSSSQHR C28H47N13O12 757.3467 NA PeJP NA NA +PJ028547 GGGSSTHR C28H47N13O12 757.3468 NA PeJP NA NA +PJ028548 PPVEMW C36H51N7O9S 757.3469 NA PeJP NA NA +PJ028549 SSSTTLY C32H51N7O14 757.3494 NA PeJP NA NA +PJ028550 SVKMMY C33H55N7O9S2 757.3503 NA PeJP NA NA +PJ028551 GPNERW C33H47N11O10 757.3508 NA PeJP NA NA +PJ028552 SVEMHR C30H51N11O10S 757.3541 NA PeJP NA NA +PJ028553 GGGSPPMR C30H51N11O10S 757.3542 NA PeJP NA NA +PJ028554 AAPQWW C38H47N9O8 757.3548 NA PeJP NA NA +PJ028555 ATLMHW C35H51N9O8S 757.3582 NA PeJP NA NA +MJ093387 Microginin 299A; 1-Chloro, detyrosyl C36H57Cl2N5O8 757.358419 NA MeJP NA NA +PJ028556 SPPTTQQ C31H51N9O13 757.3606 NA PeJP NA NA +PJ028557 PVEEER C31H51N9O13 757.3607 NA PeJP NA NA +PJ028558 VLQMMH C32H55N9O8S2 757.3615 NA PeJP NA NA +PJ028559 GNQHFR C32H47N13O9 757.362 NA PeJP NA NA +PJ028560 KMFFW C40H51N7O6S 757.3622 NA PeJP NA NA +PJ028561 PVVEEW C36H51N7O11 757.3647 NA PeJP NA NA +PJ028562 SCQKHR C29H51N13O9S 757.3654 NA PeJP NA NA +PJ028563 PNRWW C37H47N11O7 757.366 NA PeJP NA NA +MJ093388 Wedeloside C40H55NO13 757.36734 NA MeJP NA NA +PJ028564 APPTLEM C33H55N7O11S 757.3681 NA PeJP NA NA +PJ028565 GCKKHW C34H51N11O7S 757.3694 NA PeJP NA NA +PJ028566 PNDKER C30H51N11O12 757.3719 NA PeJP NA NA +PJ028567 ALMMHR C31H55N11O7S2 757.3728 NA PeJP NA NA +PJ028568 ATHHHR C31H47N15O8 757.3732 NA PeJP NA NA +PJ028569 TTTLHW C35H51N9O10 757.3759 NA PeJP NA NA +PJ028570 TLKEMH C32H55N9O10S 757.3793 NA PeJP NA NA +PJ028571 VKYYW C40H51N7O8 757.3799 NA PeJP NA NA +PJ028572 GGALFFF C40H51N7O8 757.38 NA PeJP NA NA +PJ028573 SPNERR C29H51N13O11 757.3831 NA PeJP NA NA +PJ028574 GGGGGGLQR C29H51N13O11 757.3832 NA PeJP NA NA +PJ028575 GLKMFY C37H55N7O8S 757.3833 NA PeJP NA NA +PJ028576 GPTLLEE C33H55N7O13 757.3858 NA PeJP NA NA +PJ028577 GPPLLMM C34H59N7O8S2 757.3867 NA PeJP NA NA +PJ028578 APTQRW C34H51N11O9 757.3871 NA PeJP NA NA +PJ028579 GPDKRW C34H51N11O9 757.3872 NA PeJP NA NA +MJ093389 Deltamycin A1; 4''-De-Ac C37H59NO15 757.38847 NA MeJP NA NA +PJ028580 TTLMHR C31H55N11O9S 757.3905 NA PeJP NA NA +PJ028581 AAPKWW C39H51N9O7 757.3912 NA PeJP NA NA +PJ028582 GNQQRR C28H51N15O10 757.3944 NA PeJP NA NA +PJ028583 PPCKKW C36H55N9O7S 757.3946 NA PeJP NA NA +PJ028584 SSTTLLH C32H55N9O12 757.397 NA PeJP NA NA +PJ028585 PQKKEE C32H55N9O12 757.3971 NA PeJP NA NA +PJ028586 VLKMMH C33H59N9O7S2 757.3979 NA PeJP NA NA +PJ028587 GSPRRW C33H51N13O8 757.3984 NA PeJP NA NA +PJ028588 PTLLEW C37H55N7O10 757.4011 NA PeJP NA NA +PJ028589 APQMRR C30H55N13O8S 757.4018 NA PeJP NA NA +PJ028590 LHFRW C38H51N11O6 757.4024 NA PeJP NA NA +MJ093390 Germine; O3-(3,4-Dimethoxybenzoyl), O15-(2-methylbutanoyl) C41H59NO12 757.403726 NA MeJP NA NA +PJ028591 APVVLEM C34H59N7O10S 757.4044 NA PeJP NA NA +PJ028592 GPVLLEM C34H59N7O10S 757.4045 NA PeJP NA NA +PJ028593 PTQKER C31H55N11O11 757.4083 NA PeJP NA NA +2980 kinases inhibitor KKAMRRQEAVDAL 757.41015 MH2+ Inhouse_peptide NA peptide +PJ028594 APKKEW C36H55N9O9 757.4123 NA PeJP NA NA +PJ028595 APCRRR C29H55N15O7S 757.413 NA PeJP NA NA +PJ028596 PLLEMR C33H59N9O9S 757.4157 NA PeJP NA NA +PJ028597 PPVLFW C41H55N7O7 757.4163 NA PeJP NA NA +PJ028598 GLQERR C30H55N13O10 757.4195 NA PeJP NA NA +PJ028599 PVLLMW C38H59N7O7S 757.4197 NA PeJP NA NA +PJ028600 AALLLEE C34H59N7O12 757.4222 NA PeJP NA NA +PJ028601 APTKRW C35H55N11O8 757.4235 NA PeJP NA NA +PJ028602 GGGLLRW C35H55N11O8 757.4236 NA PeJP NA NA +MJ093391 Antibiotic PA 108 C38H63NO14 757.424855 NA MeJP NA NA +MJ093392 Cirramycin A1; 14-Hydroxy, 4'-O-(2,6-dideoxy-3C-methyl-ribo-hexopyranosyl) C38H63NO14 757.424855 NA MeJP NA NA +MJ093393 Leucomycin A7 C38H63NO14 757.424855 NA MeJP NA NA +MJ093394 Leucomycin V; O3-Propanoyl C38H63NO14 757.424855 NA MeJP NA NA +MJ093395 Tylosin B; 3C-O-De-Me C38H63NO14 757.424855 NA MeJP NA NA +C14060 Leucomycin A7 C38H63NO14 757.4249 NA KEGG NA NA +PJ028603 PVQKMR C32H59N11O8S 757.4269 NA PeJP NA NA +PJ028604 AAERRR C29H55N15O9 757.4308 NA PeJP NA NA +PJ028605 VLLEER C33H59N9O11 757.4334 NA PeJP NA NA +PJ028606 GGAALLKE C33H59N9O11 757.4335 NA PeJP NA NA +PJ028607 LQRRW C34H55N13O7 757.4348 NA PeJP NA NA +PJ028608 VVLLEW C38H59N7O9 757.4375 NA PeJP NA NA +PJ028609 APKMRR C31H59N13O7S 757.4381 NA PeJP NA NA +PJ028610 APTLLLM C35H63N7O9S 757.4408 NA PeJP NA NA +3893 temporin G FFPVIGRILNGILG 757.44145 MH2+ Inhouse_peptide NA peptide +PJ028611 DRRRR C28H55N17O8 757.442 NA PeJP NA NA +PJ028612 PTKKER C32H59N11O10 757.4447 NA PeJP NA NA +PJ028613 SPLKKW C37H59N9O8 757.4487 NA PeJP NA NA +PJ028614 AAPLKKM C34H63N9O8S 757.4521 NA PeJP NA NA +3875 vespa-like peptide from R, Esculenta FLPILGKILGQLFG 757.4535 MH2+ Inhouse_peptide NA peptide +PJ028615 GLKERR C31H59N13O9 757.4559 NA PeJP NA NA +PJ028616 GTLLLLE C35H63N7O11 757.4586 NA PeJP NA NA +PJ028617 GVLKRW C36H59N11O7 757.4599 NA PeJP NA NA +PJ028618 PVKKMR C33H63N11O7S 757.4633 NA PeJP NA NA +PJ028619 GTLRRR C30H59N15O8 757.4671 NA PeJP NA NA +HMDB09203 PE(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C43H68NO8P 757.468262 NA HMDB2010 NA NA +HMDB09459 PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) C43H68NO8P 757.468262 NA HMDB2010 NA NA +PJ028620 LLQKKE C34H63N9O10 757.4698 NA PeJP NA NA +PJ028621 LKRRW C35H59N13O6 757.4712 NA PeJP NA NA +PJ028622 TLLLLW C39H63N7O8 757.4738 NA PeJP NA NA +PJ028623 GPVLLLF C39H63N7O8 757.4739 NA PeJP NA NA +PJ028624 GVLLLLM C36H67N7O8S 757.4772 NA PeJP NA NA +PJ028625 VVKKER C33H63N11O9 757.4811 NA PeJP NA NA +PJ028626 ALLKKW C38H63N9O7 757.4851 NA PeJP NA NA +PJ028627 LLLLMR C35H67N9O7S 757.4884 NA PeJP NA NA +HMDB12338 PS(14:0/20:3(8Z,11Z,14Z)) C40H72NO10P 757.48938 NA HMDB2010 NA NA +HMDB12359 PS(16:0/18:3(9Z,12Z,15Z)) C40H72NO10P 757.48938 NA HMDB2010 NA NA +HMDB12369 PS(16:1(9Z)/18:2(9Z,12Z)) C40H72NO10P 757.48938 NA HMDB2010 NA NA +HMDB12399 PS(18:2(9Z,12Z)/16:1(9Z)) C40H72NO10P 757.48938 NA HMDB2010 NA NA +HMDB12409 PS(18:3(9Z,12Z,15Z)/16:0) C40H72NO10P 757.48938 NA HMDB2010 NA NA +HMDB12418 PS(20:3(8Z,11Z,14Z)/14:0) C40H72NO10P 757.48938 NA HMDB2010 NA NA +PJ028628 SVLKRR C32H63N13O8 757.4923 NA PeJP NA NA +PJ028629 SSLLLLL C36H67N7O10 757.495 NA PeJP NA NA +MJ093396 13-Cyclopentyl-13-deethylerythromycin B C40H71NO12 757.497626 NA MeJP NA NA +PJ028630 LLKKKE C35H67N9O9 757.5062 NA PeJP NA NA +PJ028631 TLLKKR C34H67N11O8 757.5174 NA PeJP NA NA +PJ028632 AKKKKR C33H67N13O7 757.5287 NA PeJP NA NA +PJ028633 VKKKKK C35H71N11O7 757.5538 NA PeJP NA NA +HMDB07880 PC(14:0/20:2(11Z,14Z)) C42H80NO8P 757.562134 NA HMDB2010 NA NA +HMDB07912 PC(14:1(9Z)/20:1(11Z)) C42H80NO8P 757.562134 NA HMDB2010 NA NA +HMDB07973 PC(16:0/18:2(9Z,12Z)) C42H80NO8P 757.562134 NA HMDB2010 NA NA +HMDB08004 PC(16:1(9Z)/18:1(11Z)) C42H80NO8P 757.562134 NA HMDB2010 NA NA +HMDB08005 PC(16:1(9Z)/18:1(9Z)) C42H80NO8P 757.562134 NA HMDB2010 NA NA +HMDB08068 PC(18:1(11Z)/16:1(9Z)) C42H80NO8P 757.562134 NA HMDB2010 NA NA +HMDB08101 PC(18:1(9Z)/16:1(9Z)) C42H80NO8P 757.562134 NA HMDB2010 NA NA +HMDB08133 PC(18:2(9Z,12Z)/16:0) C42H80NO8P 757.562134 NA HMDB2010 NA NA +HMDB08296 PC(20:1(11Z)/14:1(9Z)) C42H80NO8P 757.562134 NA HMDB2010 NA NA +HMDB08328 PC(20:2(11Z,14Z)/14:0) C42H80NO8P 757.562134 NA HMDB2010 NA NA +HMDB08909 PE(15:0/22:2(13Z,16Z)) C42H80NO8P 757.562134 NA HMDB2010 NA NA +HMDB09549 PE(22:2(13Z,16Z)/15:0) C42H80NO8P 757.562134 NA HMDB2010 NA NA +HMDB10565 PE-NMe(18:1(9Z)/18:1(9Z)) C42H80NO8P 757.562134 NA HMDB2010 NA NA +EUR694 PC(34:2) monoisotopic mass C42H80NO8P 757.562157 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR944 PC 34:2 monoisotopic mass C42H80NO8P 757.562157 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR694 PC(34:2) monoisotopic mass C42H80NO8P 757.562157 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR944 PC 34:2 monoisotopic mass C42H80NO8P 757.562157 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR694 PC(34:2) monoisotopic mass C42H80NO8P 757.562157 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR944 PC 34:2 monoisotopic mass C42H80NO8P 757.562157 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR694 PC(34:2) monoisotopic mass C42H80NO8P 757.562157 masses lipides attendues Inhousejuil11 NA NA +EUR944 PC 34:2 monoisotopic mass C42H80NO8P 757.562157 masses lipides attendues Inhousejuil11 NA NA +HMDB09248 PE(20:0/P-18:1(11Z)) C43H84NO7P 757.598511 NA HMDB2010 NA NA +HMDB09249 PE(20:0/P-18:1(9Z)) C43H84NO7P 757.598511 NA HMDB2010 NA NA +HMDB09280 PE(20:1(11Z)/P-18:0) C43H84NO7P 757.598511 NA HMDB2010 NA NA +HMDB09543 PE(22:1(13Z)/P-16:0) C43H84NO7P 757.598511 NA HMDB2010 NA NA +HMDB11356 PE(P-16:0/22:1(13Z)) C43H84NO7P 757.598511 NA HMDB2010 NA NA +HMDB11381 PE(P-18:0/20:1(11Z)) C43H84NO7P 757.598511 NA HMDB2010 NA NA +HMDB11413 PE(P-18:1(11Z)/20:0) C43H84NO7P 757.598511 NA HMDB2010 NA NA +HMDB11446 PE(P-18:1(9Z)/20:0) C43H84NO7P 757.598511 NA HMDB2010 NA NA +HMDB10706 CerP(d18:1/26:0) C44H88NO6P 757.634949 NA HMDB2010 NA NA +5461 aurein 2,4,1 FDIVKKVVGTIAGLG 757.94295 MH2+ Inhouse_peptide NA peptide +MJ093397 1,2,4-Benzenetriol; 2-Me ether, 4-O-[2,3,6-tris(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] C34H30O20 758.133043 NA MeJP NA NA +PJ028634 SCCCNDD C24H38N8O14S3 758.167 NA PeJP NA NA +PJ028635 PCCCCCQ C25H42N8O9S5 758.1679 NA PeJP NA NA +FL5FACGS0103 Monepalin B;Quercetin 3-(2''-(E)-caffeoyl-alpha-L-arabinopyranosyl)-(1->6)-glucoside;2-(3,4-Dihydroxyphenyl)-3-[[6-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one C35H34O19 758.16942 444815-19-4 knapsack NA NA +FL1C3CGS0023 Okanin 4'-O-(2''-O-caffeoyl-6''-O-p-coumaroylglucoside);3,4,2',3',4'-Pentahydroxychalcone 4'-O-(2''-O-caffeoyl-6''-O-p-coumaroylglucoside) C39H34O16 758.18468 142628-31-7 knapsack NA NA +MJ093398 2',3,3',4,4'-Pentahydroxychalcone, 4'-O-[3,4-Dihydroxycinnamoyl-(?2)-[4-hydroxycinnamoyl-(?6)]-?-D-glucopyranoside] C39H34O16 758.184685 NA MeJP NA NA +PJ028636 GCCCNEM C25H42N8O11S4 758.1856 NA PeJP NA NA +FL5FACGL0031 Quercetin 3-sambubioside-7-glucoside C32H38O21 758.19055 162556-33-4 knapsack NA NA +FL5FACGL0044 Quercetin 3-sambubioside-3'-glucoside C32H38O21 758.19055 - knapsack NA NA +MJ093399 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 3'-O-?-D-glucopyranoside C32H38O21 758.190558 NA MeJP NA NA +MJ093400 Isoquercitrin; 2''-O-?-D-Xylopyranosyl, 3'-O-?-D-glucopyranoside C32H38O21 758.190558 NA MeJP NA NA +MJ093401 Isoquercitrin; 3''-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl] C32H38O21 758.190558 NA MeJP NA NA +MJ093402 Quercimeritrin; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C32H38O21 758.190558 NA MeJP NA NA +MJ093403 Quercimeritrin; 3-O-[Xylosyl-(1??)-glucoside] C32H38O21 758.190558 NA MeJP NA NA +MJ093404 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside], 5-O-?-D-glucopyranoside C32H39O21(+) 758.190558 NA MeJP NA NA +MJ093405 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C32H39O21(+) 758.190558 NA MeJP NA NA +MJ093406 Topsentiasterol sulfate A C30H46O16S3 758.194797 NA MeJP NA NA +PJ028637 GCCCCDR C24H42N10O10S4 758.1969 NA PeJP NA NA +PJ028638 CCCNMW C29H42N8O8S4 758.2009 NA PeJP NA NA +PJ028639 SSCCNDM C25H42N8O13S3 758.2034 NA PeJP NA NA +PJ028640 PCCCCCK C26H46N8O8S5 758.2042 NA PeJP NA NA +PJ028641 CDDDEY C29H38N6O16S 758.2065 NA PeJP NA NA +PJ028642 CDEMMM C27H46N6O11S4 758.2108 NA PeJP NA NA +PJ028643 GSTCCCW C29H42N8O10S3 758.2186 NA PeJP NA NA +MJ093407 Paulomycin B; 3''-O-De-Me C32H42N2O17S 758.220418 NA MeJP NA NA +PJ028644 GSSSSCCE C25H42N8O15S2 758.2211 NA PeJP NA NA +PJ028645 GSCCQMM C26H46N8O10S4 758.222 NA PeJP NA NA +PJ028646 CDDEMF C30H42N6O13S2 758.2252 NA PeJP NA NA +FL1CAAGS0009 Chalconaringenin 2'-O-glucoside 4'-O-gentobioside;4,2',4',6'-Tetrahydroxychalcone 2'-O-glucoside 4'-O-gentobioside C33H42O20 758.22694 329272-53-9 knapsack NA NA +MJ093408 2',4,4',6'-Tetrahydroxychalcone; 2'-O-?-D-Glucopyranoside, 4'-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C33H42O20 758.226943 NA MeJP NA NA +MJ093409 5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 8-Me ether, 6-O-[?-D-glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C33H42O20 758.226943 NA MeJP NA NA +PJ028647 CCEMHH C28H42N10O9S3 758.2299 NA PeJP NA NA +PJ028648 GSCCCMR C25H46N10O9S4 758.2332 NA PeJP NA NA +PJ028649 CCCHFF C33H42N8O7S3 758.2339 NA PeJP NA NA +C06488 XV638 C41H38N6O5S2 758.2345 NA KEGG NA NA +PJ028650 DDDEEH C28H38N8O17 758.2355 NA PeJP NA NA +MJ093410 Phleichrome; 14,21-Diepimer, 14,21-di-O-benzoyl C44H38O12 758.236326 NA MeJP NA NA +PJ028651 SSSSCCW C29H42N8O12S2 758.2364 NA PeJP NA NA +PJ028652 SSSSSSCD C25H42N8O17S 758.2389 NA PeJP NA NA +PJ028653 SSSCNMM C26H46N8O12S3 758.2398 NA PeJP NA NA +MJ093411 Catalpol; 6-O-[4-Hydroxy-E-cinnamoyl-(?3)-2-O-benzoyl-?-L-rhamnopyranoside] C37H42O17 758.242199 NA MeJP NA NA +PJ028654 SDDEMY C30H42N6O15S 758.2429 NA PeJP NA NA +PJ028655 PCDMMY C31H46N6O10S3 758.2438 NA PeJP NA NA +PJ028656 GSNDDDH C27H38N10O16 758.2468 NA PeJP NA NA +PJ028657 SEMMMM C28H50N6O10S4 758.2472 NA PeJP NA NA +PJ028658 GPCCNEH C28H42N10O11S2 758.2476 NA PeJP NA NA +PJ028659 SSTCCCR C25H46N10O11S3 758.251 NA PeJP NA NA +PJ028660 GCCQYW C33H42N8O9S2 758.2516 NA PeJP NA NA +PJ028661 GSSCNEY C29H42N8O14S 758.2541 NA PeJP NA NA +PJ028662 GGGSSCEY C29H42N8O14S 758.2542 NA PeJP NA NA +PJ028663 CNNMMF C30H46N8O9S3 758.255 NA PeJP NA NA +PJ028664 GSSSSTCM C26H46N8O14S2 758.2575 NA PeJP NA NA +PJ028665 PCDDFY C34H42N6O12S 758.2582 NA PeJP NA NA +PJ028666 GSCCKMM C27H50N8O9S4 758.2584 NA PeJP NA NA +PJ028667 GEEMMY C31H46N6O12S2 758.2615 NA PeJP NA NA +PJ028668 PCMMMF C32H50N6O7S4 758.2624 NA PeJP NA NA +PJ028669 PCCNHW C32H42N10O8S2 758.2629 NA PeJP NA NA +MJ093412 Centauroside C34H46O19 758.263329 NA MeJP NA NA +PJ028670 NNDEMH C28H42N10O13S 758.2654 NA PeJP NA NA +PJ028671 CLMMMM C29H54N6O7S5 758.2658 NA PeJP NA NA +PJ028672 CCCQFR C29H46N10O8S3 758.2663 NA PeJP NA NA +MJ093413 1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 2,8-Bis-(3-pyridinecarbonyl), 9-benzoyl, 1,6,14-tri-Ac C40H42N2O13 758.268689 NA MeJP NA NA +PJ028673 SSCNYW C33H42N8O11S 758.2694 NA PeJP NA NA +PJ028674 SSSSNDY C29H42N8O16 758.2719 NA PeJP NA NA +MJ093414 Kuwanon W C45H42O11 758.272712 NA MeJP NA NA +PJ028675 SNNMMY C30H46N8O11S2 758.2728 NA PeJP NA NA +PJ028676 SSSSSSSM C26H46N8O16S 758.2753 NA PeJP NA NA +PJ028677 SPDDYY C34H42N6O14 758.2759 NA PeJP NA NA +PJ028678 SSTCCKM C27H50N8O11S3 758.2761 NA PeJP NA NA +PJ028679 CNDDHR C27H42N12O12S 758.2766 NA PeJP NA NA +PJ028680 EMMYW C35H46N6O9S2 758.2768 NA PeJP NA NA +MJ093415 Pseudrelone B C38H46O16 758.278585 NA MeJP NA NA +PJ028681 STEEMY C31H46N6O14S 758.2793 NA PeJP NA NA +PJ028682 SPMMMY C32H50N6O9S3 758.2802 NA PeJP NA NA +PJ028683 GNDMHW C32H42N10O10S 758.2806 NA PeJP NA NA +PJ028684 GGGDMHW C32H42N10O10S 758.2807 NA PeJP NA NA +PJ028685 GSSNEEH C28H42N10O15 758.2831 NA PeJP NA NA +PJ028686 GGGSSEEH C28H42N10O15 758.2832 NA PeJP NA NA +PJ028687 SCCQRY C29H46N10O10S2 758.284 NA PeJP NA NA +PJ028688 GNNEYY C33H42N8O13 758.2872 NA PeJP NA NA +PJ028689 GCCKYW C34H46N8O8S2 758.288 NA PeJP NA NA +PJ028690 GSSSQMY C30H46N8O13S 758.2905 NA PeJP NA NA +PJ028691 GGAPPDDM C30H46N8O13S 758.2906 NA PeJP NA NA +PJ028692 DEFYW C38H42N6O11 758.2912 NA PeJP NA NA +PJ028693 CCQKMF C31H50N8O8S3 758.2914 NA PeJP NA NA +PJ028694 PCEHHH C31H42N12O9S 758.2919 NA PeJP NA NA +PJ028695 SSSNNNH C27H42N12O14 758.2944 NA PeJP NA NA +PJ028696 GPEMYY C35H46N6O11S 758.2946 NA PeJP NA NA +PJ028697 GSPCCHR C28H46N12O9S2 758.2952 NA PeJP NA NA +PJ028698 CQHWW C36H42N10O7S 758.2959 NA PeJP NA NA +PJ028699 SVEMMY C32H50N6O11S2 758.2979 NA PeJP NA NA +PJ028700 SSNEHW C32H42N10O12 758.2984 NA PeJP NA NA +PJ028701 GMMHHF C33H46N10O7S2 758.2993 NA PeJP NA NA +MJ093416 Cephabacin F; Cephabacin F4, 28-Deoxy, N27-L-Alanyl C29H46N10O12S 758.301737 NA MeJP NA NA +PJ028702 GSSSCRY C29H46N10O12S 758.3018 NA PeJP NA NA +PJ028703 NNYYW C37H42N8O10 758.3024 NA PeJP NA NA +PJ028704 CCCKFR C30H50N10O7S3 758.3026 NA PeJP NA NA +PJ028705 PPNDMW C34H46N8O10S 758.3058 NA PeJP NA NA +PJ028706 SSSSTQY C30H46N8O15 758.3083 NA PeJP NA NA +PJ028707 SCQKMY C31H50N8O10S2 758.3091 NA PeJP NA NA +PJ028708 TCNKMY C31H50N8O10S2 758.3092 NA PeJP NA NA +PJ028709 NNNNHF C31H42N12O11 758.3096 NA PeJP NA NA +PJ028710 GGGGGGNHF C31H42N12O11 758.3097 NA PeJP NA NA +PJ028711 PMYYW C39H46N6O8S 758.3098 NA PeJP NA NA +PJ028712 GVEEYY C35H46N6O13 758.3123 NA PeJP NA NA +PJ028713 SNDMHR C28H46N12O11S 758.313 NA PeJP NA NA +PJ028714 APMMFY C36H50N6O8S2 758.3132 NA PeJP NA NA +PJ028715 GSSHWW C36H42N10O9 758.3137 NA PeJP NA NA +MJ093417 6(17),11-Jatrophadiene-2,3,5,7,8,9,14,15-octol, 3-Benzoyl, 2,5,7,8,9,14-hexa-Ac C39H50O15 758.31497 NA MeJP NA NA +MJ093418 Trichilin B; 1,12-Di-Ac C39H50O15 758.31497 NA MeJP NA NA +PJ028716 ALMMMY C33H54N6O8S3 758.3165 NA PeJP NA NA +PJ028717 VCLMMY C33H54N6O8S3 758.3166 NA PeJP NA NA +PJ028718 GTQMHW C33H46N10O9S 758.317 NA PeJP NA NA +PJ028719 PNDEER C29H46N10O14 758.3195 NA PeJP NA NA +PJ028720 GGGGGGAPTE C29H46N10O14 758.3196 NA PeJP NA NA +PJ028721 SCCKRY C30H50N10O9S2 758.3204 NA PeJP NA NA +PJ028722 SNQHHH C30H42N14O10 758.3209 NA PeJP NA NA +PJ028723 APPCWW C38H46N8O7S 758.3211 NA PeJP NA NA +PJ028724 EERYY C34H46N8O12 758.3235 NA PeJP NA NA +PJ028725 APQEEW C34H46N8O12 758.3236 NA PeJP NA NA +PJ028726 PPMMHF C35H50N8O7S2 758.3244 NA PeJP NA NA +PJ028727 GSSSKMY C31H50N8O12S 758.3269 NA PeJP NA NA +PJ028728 VEYYW C39H46N6O10 758.3276 NA PeJP NA NA +PJ028729 CCKKMF C32H54N8O7S3 758.3278 NA PeJP NA NA +PJ028730 GTCHRW C32H46N12O8S 758.3283 NA PeJP NA NA +PJ028731 NNQQQQ C28H46N12O13 758.3307 NA PeJP NA NA +PJ028732 GSSSEHR C28H46N12O13 758.3308 NA PeJP NA NA +PJ028733 SPVMYY C36H50N6O10S 758.3309 NA PeJP NA NA +PJ028734 GQMMHR C29H50N12O8S2 758.3316 NA PeJP NA NA +PJ028735 CKHWW C37H46N10O6S 758.3323 NA PeJP NA NA +PJ028736 TTLMMY C33H54N6O10S2 758.3343 NA PeJP NA NA +PJ028737 GPDERW C33H46N10O11 758.3348 NA PeJP NA NA +MJ093419 Anodendrosin A; 6'-?-D-Xylopyranosyl C36H54O17 758.3361 NA MeJP NA NA +MJ093420 Anodendrosin F; 4-O-[?-D-Xylopyranosyl(1?6)-?-D-glucopyranoside] C36H54O17 758.3361 NA MeJP NA NA +PJ028738 SQKEMH C30H50N10O11S 758.3381 NA PeJP NA NA +PJ028739 GSPPDMR C30H50N10O11S 758.3382 NA PeJP NA NA +PJ028740 AAPEWW C38H46N8O9 758.3388 NA PeJP NA NA +PJ028741 NNNNQR C27H46N14O12 758.342 NA PeJP NA NA +PJ028742 PPTQMW C35H50N8O9S 758.3422 NA PeJP NA NA +PJ028743 PFFYW C43H46N6O7 758.3428 NA PeJP NA NA +PJ028744 GCMHRR C28H50N14O7S2 758.3429 NA PeJP NA NA +PJ028745 SSSSTKY C31H50N8O14 758.3447 NA PeJP NA NA +PJ028746 SCKKMY C32H54N8O9S2 758.3455 NA PeJP NA NA +PJ028747 VLEMMH C32H54N8O9S2 758.3456 NA PeJP NA NA +PJ028748 SSSHRW C32H46N12O10 758.346 NA PeJP NA NA +PJ028749 LMFYW C40H50N6O7S 758.3462 NA PeJP NA NA +PJ028750 ATLEYY C36H50N6O12 758.3487 NA PeJP NA NA +PJ028751 STQMHR C29H50N12O10S 758.3494 NA PeJP NA NA +PJ028752 ALMMFF C37H54N6O7S2 758.3496 NA PeJP NA NA +PJ028753 PDRWW C37H46N10O8 758.35 NA PeJP NA NA +PJ028754 GGGVHFW C37H46N10O8 758.3501 NA PeJP NA NA +MJ093421 Antibiotic FA 252C C26H56N5O20 758.351864 NA MeJP NA NA +PJ028755 PPTCRW C34H50N10O8S 758.3534 NA PeJP NA NA +PJ028756 PTQEER C30H50N10O13 758.3559 NA PeJP NA NA +PJ028757 PPQMMR C31H54N10O8S2 758.3568 NA PeJP NA NA +PJ028758 SNKHHH C31H46N14O9 758.3572 NA PeJP NA NA +PJ028759 GGSKHHH C31H46N14O9 758.3573 NA PeJP NA NA +PJ028760 APKEEW C35H50N8O11 758.3599 NA PeJP NA NA +PJ028761 GGGPPVEF C35H50N8O11 758.36 NA PeJP NA NA +PJ028762 STCHRR C28H50N14O9S 758.3606 NA PeJP NA NA +PJ028763 NHFRW C36H46N12O7 758.3613 NA PeJP NA NA +PJ028764 GPPTKEM C32H54N8O11S 758.3633 NA PeJP NA NA +PJ028765 APVFYY C40H50N6O9 758.3639 NA PeJP NA NA +PJ028766 GPLFYY C40H50N6O9 758.364 NA PeJP NA NA +PJ028767 VVMHHH C33H50N12O7S 758.3647 NA PeJP NA NA +PJ028768 SPDERR C29H50N12O12 758.3671 NA PeJP NA NA +PJ028769 PTDDRR C29H50N12O12 758.3672 NA PeJP NA NA +PJ028770 GLLMYY C37H54N6O9S 758.3673 NA PeJP NA NA +PJ028771 PPCMRR C30H54N12O7S2 758.368 NA PeJP NA NA +PJ028772 APTERW C34H50N10O10 758.3712 NA PeJP NA NA +PJ028773 PVQEMR C31H54N10O10S 758.3745 NA PeJP NA NA +PJ028774 GAPLDMR C31H54N10O10S 758.3746 NA PeJP NA NA +PJ028775 GPTLWW C39H50N8O8 758.3752 NA PeJP NA NA +MJ093422 Disorazole A1 C43H54N2O10 758.377845 NA MeJP NA NA +MJ093423 Disorazole G1 C43H54N2O10 758.377845 NA MeJP NA NA +MJ093424 Disorazole G2 C43H54N2O10 758.377845 NA MeJP NA NA +MJ093425 Saptomycin B; 1'-Epimer, 4'-Ac C43H54N2O10 758.377845 NA MeJP NA NA +PJ028776 GNQERR C28H50N14O11 758.3784 NA PeJP NA NA +PJ028777 PPTKMW C36H54N8O8S 758.3786 NA PeJP NA NA +PJ028778 LFFFW C44H50N6O6 758.3792 NA PeJP NA NA +PJ028779 PKKEEE C32H54N8O13 758.3811 NA PeJP NA NA +MJ093426 Iejimalide A; O-Sulfate C40H58N2O10S 758.381216 NA MeJP NA NA +MJ093427 Bisclausarin C48H54O8 758.381868 NA MeJP NA NA +MJ093428 Claudimerin A C48H54O8 758.381868 NA MeJP NA NA +MJ093429 Marshdimerin C48H54O8 758.381868 NA MeJP NA NA +PJ028780 GPPVKMM C33H58N8O8S2 758.3819 NA PeJP NA NA +PJ028781 AAQQRW C33H50N12O9 758.3824 NA PeJP NA NA +PJ028782 STLLYY C37H54N6O11 758.3851 NA PeJP NA NA +PJ028783 APEMRR C30H54N12O9S 758.3858 NA PeJP NA NA +PJ028784 GPPFRW C38H50N10O7 758.3864 NA PeJP NA NA +MJ093430 Dregeana 4 C41H58O13 758.387741 NA MeJP NA NA +PJ028785 GPLMRW C35H54N10O7S 758.3898 NA PeJP NA NA +PJ028786 PTKEER C31H54N10O12 758.3923 NA PeJP NA NA +PJ028787 PPKMMR C32H58N10O7S2 758.3932 NA PeJP NA NA +PJ028788 NQRRW C32H50N14O8 758.3936 NA PeJP NA NA +PJ028789 GGGARRW C32H50N14O8 758.3937 NA PeJP NA NA +PJ028790 SPLKEW C36H54N8O10 758.3963 NA PeJP NA NA +PJ028791 AAPLKEM C33H58N8O10S 758.3997 NA PeJP NA NA +PJ028792 GLLFFY C41H54N6O8 758.4003 NA PeJP NA NA +PJ028793 GLEERR C30H54N12O11 758.4035 NA PeJP NA NA +PJ028794 GGGGVKER C30H54N12O11 758.4036 NA PeJP NA NA +PJ028795 GPHHRR C31H50N16O7 758.4049 NA PeJP NA NA +PJ028796 SPTLRW C35H54N10O9 758.4075 NA PeJP NA NA +PJ028797 GVLERW C35H54N10O9 758.4076 NA PeJP NA NA +MJ093431 8(14),15-Pimaradiene-3,12-diol, 3-O-[3-O-Methyl-?-D-glucopyranosyl-(1?2)-?-L-arabinofuranoside], 12-O-?-D-fucopyranoside C38H62O15 758.408871 NA MeJP NA NA +MJ093432 Spirostane-1,3,4,5-tetrol, 3-O-?-D-Glucopyranoside, 5-O-?-L-arabinopyranoside C38H62O15 758.408871 NA MeJP NA NA +PJ028798 PVKEMR C32H58N10O9S 758.4109 NA PeJP NA NA +MJ093433 Antibiotic L 156373 C40H54N8O7 758.411546 NA MeJP NA NA +MJ093434 Unguisin A C40H54N8O7 758.411546 NA MeJP NA NA +PJ028799 AALLWW C40H54N8O7 758.4116 NA PeJP NA NA +PJ028800 GNKERR C29H54N14O10 758.4148 NA PeJP NA NA +PJ028801 PVVKMW C37H58N8O7S 758.415 NA PeJP NA NA +PJ028802 APTTLKE C33H58N8O12 758.4174 NA PeJP NA NA +PJ028803 LLQKEE C33H58N8O12 758.4175 NA PeJP NA NA +PJ028804 LERRW C34H54N12O8 758.4188 NA PeJP NA NA +PJ028805 SPLMRR C31H58N12O8S 758.4222 NA PeJP NA NA +PJ028806 VLRWW C39H54N10O6 758.4228 NA PeJP NA NA +MJ093435 3,8,12,14-Tetrahydroxypregnan-20-one, 12-Benzoyl, 3-O-[2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C42H62O12 758.424127 NA MeJP NA NA +PJ028807 GSQRRR C28H54N16O9 758.426 NA PeJP NA NA +PJ028808 VVKEER C32H58N10O11 758.4287 NA PeJP NA NA +PJ028809 NKRRW C33H54N14O7 758.43 NA PeJP NA NA +PJ028810 ALLKEW C37H58N8O9 758.4327 NA PeJP NA NA +PJ028811 GPTLLKM C34H62N8O9S 758.4361 NA PeJP NA NA +MJ093436 Astaxanthin, 3-O-?-D-Glucopyranoside C46H62O9 758.439383 NA MeJP NA NA +MJ093437 Lavendothricin; Lavendothricin D C31H58N12O10 758.439886 NA MeJP NA NA +MJ093438 Streptothricin; Streptothricin D C31H58N12O10 758.439886 NA MeJP NA NA +PJ028812 SVLERR C31H58N12O10 758.4399 NA PeJP NA NA +PJ028813 ATLLRW C36H58N10O8 758.4439 NA PeJP NA NA +PJ028814 GGALKKW C36H58N10O8 758.444 NA PeJP NA NA +MJ093439 Cholest-22-ene-3,4,6,8,15,24-hexol, 24-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] C39H66O14 758.445256 NA MeJP NA NA +MJ093440 Cholest-5-ene-1,3,16,22,26-pentol, 1-O-?-L-Rhamnopyranoside, 3-O-?-D-galactopyranoside C39H66O14 758.445256 NA MeJP NA NA +MJ093441 Cholest-5-ene-1,3,16,22-tetrol, 1,16-Di-O-?-D-glucopyranoside C39H66O14 758.445256 NA MeJP NA NA +MJ093442 Ergost-24(28)-ene-3,6,8,15,16,26-hexol, 26-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] C39H66O14 758.445256 NA MeJP NA NA +MJ093443 Ergost-24-ene-3,4,6,8,15,26-hexol, 3-O-(2-O-Methyl-?-D-arabinofuranoside), 26-O-?-L-arabinofuranoside C39H66O14 758.445256 NA MeJP NA NA +MJ093444 Furostane-3,15,22-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] C39H66O14 758.445256 NA MeJP NA NA +MJ093445 Furostane-3,22,26-triol, 3,26-Di-O-?-D-glucopyranoside C39H66O14 758.445256 NA MeJP NA NA +MJ093446 Furostane-3,22,26-triol, 3-O-?-D-Galactopyranoside, 26-O-?-D-glucopyranoside C39H66O14 758.445256 NA MeJP NA NA +MJ093447 Antibiotic RF 2691A C40H62N4O10 758.446594 NA MeJP NA NA +PJ028815 VLLQMR C33H62N10O8S 758.4473 NA PeJP NA NA +PJ028816 GDKKRR C30H58N14O9 758.4512 NA PeJP NA NA +PJ028817 LLKKEE C34H62N8O11 758.4538 NA PeJP NA NA +PJ028818 AAKKRW C35H58N12O7 758.4552 NA PeJP NA NA +PJ028819 PCKKKR C32H62N12O7S 758.4585 NA PeJP NA NA +PJ028820 ALLMRR C32H62N12O7S 758.4586 NA PeJP NA NA +PJ028821 GSKRRR C29H58N16O8 758.4624 NA PeJP NA NA +MJ093448 Xestosterol; 3-O-(18-Bromo-9E,17E-octadecadiene-7,15-diynoyl) C48H71BrO2 758.463744 NA MeJP NA NA +PJ028822 TLLKER C33H62N10O10 758.4651 NA PeJP NA NA +PJ028823 SLLLKW C38H62N8O8 758.4691 NA PeJP NA NA +PJ028824 AALLLKM C35H66N8O8S 758.4725 NA PeJP NA NA +PJ028825 TTLLRR C32H62N12O9 758.4763 NA PeJP NA NA +PJ028826 GLKKKW C37H62N10O7 758.4803 NA PeJP NA NA +PJ028827 VLLKMR C34H66N10O7S 758.4837 NA PeJP NA NA +PJ028828 ATKKRR C31H62N14O8 758.4875 NA PeJP NA NA +PJ028829 ATTLLLK C35H66N8O10 758.4902 NA PeJP NA NA +PJ028830 VKKKKE C34H66N10O9 758.5015 NA PeJP NA NA +C15937 (3R,2'S)-Myxol 2'-(2,4-di-O-methyl-alpha-L-fucoside) C48H70O7 758.5122 NA KEGG NA NA +C15938 MAGE-3 (271 - 279) C48H70O7 758.5122 NA KEGG NA NA +PJ028831 SLKKKR C33H66N12O8 758.5127 NA PeJP NA NA +MJ093449 Polyprenol; Betulaprenol 7, O-[?-D-Xylopyranosyl-(1?4)-?-D-xylopyranoside] C45H74O9 758.533283 NA MeJP NA NA +MJ093450 Bendotramine C44H78N4O2S2 758.556619 NA MeJP NA NA +EUR1089 SM(d18:1/20:0) monoisotopic mass C43H87N2O6P 758.630176 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1089 SM(d18:1/20:0) monoisotopic mass C43H87N2O6P 758.630176 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1089 SM(d18:1/20:0) monoisotopic mass C43H87N2O6P 758.630176 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1089 SM(d18:1/20:0) monoisotopic mass C43H87N2O6P 758.630176 masses lipides attendues Inhousejuil11 NA NA +HMDB12102 SM(d18:1/20:0) C43H87N2O6P 758.630188 NA HMDB2010 NA NA +HMDB07674 DG(22:2(13Z,16Z)/24:1(15Z)/0:0) C49H90O5 758.678833 NA HMDB2010 NA NA +HMDB07842 DG(24:1(15Z)/22:2(13Z,16Z)/0:0) C49H90O5 758.678833 NA HMDB2010 NA NA +PJ028832 SCCCDDD C24H37N7O15S3 759.151 NA PeJP NA NA +PJ028833 PCCCCCE C25H41N7O10S5 759.1519 NA PeJP NA NA +PJ028834 GCCCDEM C25H41N7O12S4 759.1696 NA PeJP NA NA +PJ028835 SCCCCNQ C24H41N9O11S4 759.1809 NA PeJP NA NA +PJ028836 CCCDMW C29H41N7O9S4 759.1849 NA PeJP NA NA +PJ028837 SSCCDDM C25H41N7O14S3 759.1874 NA PeJP NA NA +PJ028838 PTCCCCM C26H45N7O9S5 759.1883 NA PeJP NA NA +FL7AAGGA0016 Delphinidin 3-(2-xylosylgalactoside)-5-glucoside C32H39O21 759.19838 328898-97-1 knapsack NA NA +FL7AAGGL0010 Delphinidin 3-sambubioside-5-glucoside C32H39O21 759.19838 36415-91-5 knapsack NA NA +PJ028839 GSSSCCCN C24H41N9O13S3 759.1986 NA PeJP NA NA +PJ028840 GPCCCDY C29H41N7O11S3 759.2027 NA PeJP NA NA +PJ028841 GSCCEMM C26H45N7O11S4 759.206 NA PeJP NA NA +PJ028842 GCCCNNF C28H41N9O10S3 759.2139 NA PeJP NA NA +PJ028843 SCCCCNK C25H45N9O10S4 759.2172 NA PeJP NA NA +PJ028844 GGSCCCCK C25H45N9O10S4 759.2173 NA PeJP NA NA +PJ028845 CNDDMY C29H41N7O13S2 759.2204 NA PeJP NA NA +PJ028846 SCCMMW C30H45N7O8S4 759.2213 NA PeJP NA NA +PJ028847 SSSCDMM C26H45N7O13S3 759.2238 NA PeJP NA NA +PJ028848 CNMMMM C27H49N7O8S5 759.2246 NA PeJP NA NA +PJ028849 GGCMMMM C27H49N7O8S5 759.2247 NA PeJP NA NA +PJ028850 GTCCCHH C27H41N11O9S3 759.2251 NA PeJP NA NA +PJ028851 GSDDDDH C27H37N9O17 759.2308 NA PeJP NA NA +PJ028852 GSCCNNY C28H41N9O12S2 759.2316 NA PeJP NA NA +PJ028853 GGGGGSCCY C28H41N9O12S2 759.2317 NA PeJP NA NA +PJ028854 GCCEYW C33H41N7O10S2 759.2357 NA PeJP NA NA +PJ028855 GSSCDEY C29H41N7O15S 759.2382 NA PeJP NA NA +PJ028856 GSPCCMY C30H45N7O10S3 759.239 NA PeJP NA NA +PJ028857 GSTCMMM C27H49N7O10S4 759.2424 NA PeJP NA NA +PJ028858 SSSCCHH C27H41N11O11S2 759.2429 NA PeJP NA NA +PJ028859 PCCDHW C32H41N9O9S2 759.2469 NA PeJP NA NA +PJ028860 NDDEMH C28H41N9O14S 759.2494 NA PeJP NA NA +PJ028861 CCCEFR C29H45N9O9S3 759.2503 NA PeJP NA NA +PJ028862 CCYWW C37H41N7O7S2 759.2509 NA PeJP NA NA +PJ028863 SSCDYW C33H41N7O12S 759.2534 NA PeJP NA NA +PJ028864 ACCMFW C34H45N7O7S3 759.2543 NA PeJP NA NA +PJ028865 SSSSDDY C29H41N7O17 759.2559 NA PeJP NA NA +PJ028866 SNDMMY C30H45N7O12S2 759.2568 NA PeJP NA NA +PJ028867 CCNHHF C31H41N11O8S2 759.2581 NA PeJP NA NA +PJ028868 SSSSMMM C27H49N7O12S3 759.2601 NA PeJP NA NA +PJ028869 CDDDHR C27H41N11O13S 759.2606 NA PeJP NA NA +PJ028870 GGGGGTCDH C27H41N11O13S 759.2607 NA PeJP NA NA +PJ028871 GDDMHW C32H41N9O11S 759.2647 NA PeJP NA NA +PJ028872 GSSDEEH C28H41N9O16 759.2672 NA PeJP NA NA +PJ028873 SCCERY C29H45N9O11S2 759.268 NA PeJP NA NA +PJ028874 GNDEYY C33H41N7O14 759.2712 NA PeJP NA NA +PJ028875 GTCMYW C34H45N7O9S2 759.272 NA PeJP NA NA +PJ028876 GSPCCFF C34H45N7O9S2 759.2721 NA PeJP NA NA +PJ028877 GSSSEMY C30H45N7O14S 759.2745 NA PeJP NA NA +PJ028878 GPPDDEM C30H45N7O14S 759.2746 NA PeJP NA NA +PJ028879 GQMMMY C31H49N7O9S3 759.2754 NA PeJP NA NA +PJ028880 SCNNHW C31H41N11O10S 759.2759 NA PeJP NA NA +PJ028881 SSSNNDH C27H41N11O15 759.2784 NA PeJP NA NA +PJ028882 NNNMMH C28H45N11O10S2 759.2793 NA PeJP NA NA +PJ028883 CEHWW C36H41N9O8S 759.2799 NA PeJP NA NA +PJ028884 SSDEHW C32H41N9O13 759.2824 NA PeJP NA NA +PJ028885 SPCMHW C33H45N9O8S2 759.2833 NA PeJP NA NA +PJ028886 SQEEMH C29H45N9O13S 759.2858 NA PeJP NA NA +PJ028887 NDYYW C37H41N7O11 759.2864 NA PeJP NA NA +PJ028888 GCMMRY C30H49N9O8S3 759.2867 NA PeJP NA NA +MetaCyc04112 bilirubin-glucuronoside [bilirubin monoglucuronide;] C39H43N4O12 759.287748 NA metacyc NA NA +PJ028889 GNNNNNN C26H41N13O14 759.2896 NA PeJP NA NA +PJ028890 GGGGGGGGGNN C26H41N13O14 759.2897 NA PeJP NA NA +PJ028891 SSSMYW C34H45N7O11S 759.2898 NA PeJP NA NA +PJ028892 CCNQHR C27H45N13O9S2 759.2905 NA PeJP NA NA +PJ028893 SSSSTEY C30H45N7O16 759.2923 NA PeJP NA NA +PJ028894 STQMMY C31H49N7O11S2 759.2932 NA PeJP NA NA +PJ028895 NNNDHF C31H41N11O12 759.2936 NA PeJP NA NA +PJ028896 GGNNDHF C31H41N11O12 759.2937 NA PeJP NA NA +PJ028897 SDDMHR C28H45N11O12S 759.297 NA PeJP NA NA +PJ028898 GGGGGGGGGPM C28H45N11O12S 759.2971 NA PeJP NA NA +PJ028899 GTEMHW C33H45N9O10S 759.301 NA PeJP NA NA +PJ028900 GGGSPPCW C33H45N9O10S 759.3011 NA PeJP NA NA +PJ028901 GSTTEEH C29H45N9O15 759.3035 NA PeJP NA NA +PJ028902 PDDEER C29H45N9O15 759.3036 NA PeJP NA NA +PJ028903 STCMRY C30H49N9O10S2 759.3044 NA PeJP NA NA +PJ028904 SNEHHH C30H41N13O11 759.3049 NA PeJP NA NA +PJ028905 NMFYW C38H45N7O8S 759.305 NA PeJP NA NA +PJ028906 GGMFYW C38H45N7O8S 759.3051 NA PeJP NA NA +PJ028907 APEEEW C34H45N7O13 759.3076 NA PeJP NA NA +PJ028908 GSSCNHR C27H45N13O11S 759.3083 NA PeJP NA NA +PJ028909 PCCKFY C35H49N7O8S2 759.3084 NA PeJP NA NA +PJ028910 GSTTTMY C31H49N7O13S 759.3109 NA PeJP NA NA +PJ028911 GKMMMY C32H53N7O8S3 759.3118 NA PeJP NA NA +MJ093451 Hydroxystreptomycin B C27H49N7O18 759.313407 NA MeJP NA NA +PJ028912 GSPNDDR C28H45N11O14 759.3148 NA PeJP NA NA +PJ028913 APPCCNR C29H49N11O9S2 759.3156 NA PeJP NA NA +PJ028914 GEMMHR C29H49N11O9S2 759.3157 NA PeJP NA NA +PJ028915 TMHWW C37H45N9O7S 759.3163 NA PeJP NA NA +PJ028916 STTEHW C33H45N9O12 759.3188 NA PeJP NA NA +PJ028917 GVMMHW C34H49N9O7S2 759.3197 NA PeJP NA NA +PJ028918 GSHHHW C34H41N13O8 759.3201 NA PeJP NA NA +PJ028919 SKEEMH C30H49N9O12S 759.3222 NA PeJP NA NA +PJ028920 TQYYW C38H45N7O10 759.3228 NA PeJP NA NA +PJ028921 AQMHHH C31H45N13O8S 759.3235 NA PeJP NA NA +PJ028922 NNNNER C27H45N13O13 759.326 NA PeJP NA NA +PJ028923 PPTEMW C35H49N7O10S 759.3262 NA PeJP NA NA +PJ028924 CCNKHR C28H49N13O8S2 759.3269 NA PeJP NA NA +3635 NA YPFGFM~ 759.3284 ACE inhibitor Inhouse_peptide NA peptide +PJ028925 SSTTTTY C31H49N7O15 759.3287 NA PeJP NA NA +PJ028926 STKMMY C32H53N7O10S2 759.3295 NA PeJP NA NA +PJ028927 GPPVEMM C32H53N7O10S2 759.3296 NA PeJP NA NA +PJ028928 GNQQQW C32H45N11O11 759.33 NA PeJP NA NA +PJ028929 GGGGGGVNW C32H45N11O11 759.3301 NA PeJP NA NA +PJ028930 MMHRW C33H49N11O6S2 759.3309 NA PeJP NA NA +PJ028931 STEMHR C29H49N11O11S 759.3334 NA PeJP NA NA +PJ028932 ASPNWW C37H45N9O9 759.334 NA PeJP NA NA +PJ028933 GSPQWW C37H45N9O9 759.3341 NA PeJP NA NA +PJ028934 ACHHHR C30H45N15O7S 759.3348 NA PeJP NA NA +PJ028935 SSLMHW C34H49N9O9S 759.3374 NA PeJP NA NA +PJ028936 NFFFW C42H45N7O7 759.3381 NA PeJP NA NA +PJ028937 PTEEER C30H49N9O14 759.3399 NA PeJP NA NA +PJ028938 GGGGAALEE C30H49N9O14 759.34 NA PeJP NA NA +PJ028939 PPEMMR C31H53N9O9S2 759.3408 NA PeJP NA NA +2800 peptide toxic from alpha-gliadin QQPYPQ 759.341 NA Inhouse_peptide NA peptide +PJ028940 GNNNRW C31H45N13O10 759.3413 NA PeJP NA NA +PJ028941 SPLEEW C35H49N7O12 759.3439 NA PeJP NA NA +PJ028942 AAPPEEF C35H49N7O12 759.344 NA PeJP NA NA +PJ028943 PCNDRR C28H49N13O10S 759.3446 NA PeJP NA NA +PJ028944 GGPCDRR C28H49N13O10S 759.3447 NA PeJP NA NA +PJ028945 PPVMMW C36H53N7O7S2 759.3448 NA PeJP NA NA +PJ028946 DHFRW C36H45N11O8 759.3453 NA PeJP NA NA +MJ093452 Polyketoacidomycin C39H53NO14 759.346605 NA MeJP NA NA +PJ028947 AAPLEEM C32H53N7O12S 759.3473 NA PeJP NA NA +PJ028948 CRRYY C33H49N11O8S 759.3486 NA PeJP NA NA +PJ028949 GPNMRW C33H49N11O8S 759.3487 NA PeJP NA NA +PJ028950 SSSSQKH C29H49N11O13 759.3511 NA PeJP NA NA +PJ028951 AQQEER C29H49N11O13 759.3512 NA PeJP NA NA +PJ028952 SVMMHR C30H53N11O8S2 759.352 NA PeJP NA NA +PJ028953 SSHHHR C30H45N15O9 759.3525 NA PeJP NA NA +PJ028954 SPNKEW C34H49N9O11 759.3552 NA PeJP NA NA +PJ028955 GTTTLMH C31H53N9O11S 759.3585 NA PeJP NA NA +PJ028956 PVEEMR C31H53N9O11S 759.3586 NA PeJP NA NA +PJ028957 TKYYW C39H49N7O9 759.3592 NA PeJP NA NA +PJ028958 AKMHHH C32H49N13O7S 759.3599 NA PeJP NA NA +PJ028959 GNEERR C28H49N13O12 759.3624 NA PeJP NA NA +PJ028960 PVVEMW C36H53N7O9S 759.3626 NA PeJP NA NA +PJ028961 LLQEEE C32H53N7O14 759.3651 NA PeJP NA NA +PJ028962 APPTLMM C33H57N7O9S2 759.3659 NA PeJP NA NA +PJ028963 PPVTCLM C33H57N7O9S2 759.366 NA PeJP NA NA +PJ028964 AAQERW C33H49N11O10 759.3664 NA PeJP NA NA +MJ093453 Carboxymycobactins; Carboxymycobactin 2 C37H53N5O12 759.369072 NA MeJP NA NA +PJ028965 PNDKMR C30H53N11O10S 759.3698 NA PeJP NA NA +PJ028966 GSPKWW C38H49N9O8 759.3704 NA PeJP NA NA +PJ028967 GGGVVWW C38H49N9O8 759.3705 NA PeJP NA NA +PJ028968 SNNNRR C27H49N15O11 759.3736 NA PeJP NA NA +PJ028969 GGGGGGSRR C27H49N15O11 759.3737 NA PeJP NA NA +PJ028970 APQKMW C35H53N9O8S 759.3738 NA PeJP NA NA +PJ028971 VVEEER C31H53N9O13 759.3763 NA PeJP NA NA +PJ028972 TLKMMH C32H57N9O8S2 759.3772 NA PeJP NA NA +PJ028973 NERRW C32H49N13O9 759.3776 NA PeJP NA NA +PJ028974 GGERRW C32H49N13O9 759.3777 NA PeJP NA NA +PJ028975 ALLEEW C36H53N7O11 759.3803 NA PeJP NA NA +PJ028976 SPNMRR C29H53N13O9S 759.381 NA PeJP NA NA +PJ028977 VNRWW C37H49N11O7 759.3817 NA PeJP NA NA +PJ028978 GPTLLEM C33H57N7O11S 759.3837 NA PeJP NA NA +PJ028979 APCKRW C34H53N11O7S 759.3851 NA PeJP NA NA +PJ028980 AQKEER C30H53N11O12 759.3875 NA PeJP NA NA +PJ028981 GAAKEER C30H53N11O12 759.3876 NA PeJP NA NA +PJ028982 GLQKEW C35H53N9O10 759.3916 NA PeJP NA NA +PJ028983 GRRWW C36H49N13O6 759.3929 NA PeJP NA NA +PJ028984 PQKKEM C32H57N9O10S 759.3949 NA PeJP NA NA +PJ028985 GGGPTLKM C32H57N9O10S 759.395 NA PeJP NA NA +PJ028986 PPVVYW C40H53N7O8 759.3956 NA PeJP NA NA +PJ028987 GDKERR C29H53N13O11 759.3988 NA PeJP NA NA +PJ028988 PTLLMW C37H57N7O8S 759.399 NA PeJP NA NA +PJ028989 LLKEEE C33H57N7O13 759.4015 NA PeJP NA NA +PJ028990 GPVLLMM C34H61N7O8S2 759.4023 NA PeJP NA NA +PJ028991 AAKERW C34H53N11O9 759.4028 NA PeJP NA NA +7027 synthetic peptide from alpha-gliadin IILHQQQKQQQQ 759.405 MH2+ Inhouse_peptide NA peptide +PJ028992 PTQKMR C31H57N11O9S 759.4062 NA PeJP NA NA +PJ028993 LQKWW C39H53N9O7 759.4068 NA PeJP NA NA +PJ028994 GSERRR C28H53N15O10 759.41 NA PeJP NA NA +PJ028995 APKKMW C36H57N9O7S 759.4102 NA PeJP NA NA +PJ028996 TLLEER C32H57N9O12 759.4127 NA PeJP NA NA +PJ028997 PLLMMR C33H61N9O7S2 759.4136 NA PeJP NA NA +PJ028998 DKRRW C33H53N13O8 759.414 NA PeJP NA NA +PJ028999 GGAPFRR C33H53N13O8 759.4141 NA PeJP NA NA +PJ029000 SLLLEW C37H57N7O10 759.4167 NA PeJP NA NA +PJ029001 GLQMRR C30H57N13O8S 759.4174 NA PeJP NA NA +PJ029002 AALLLEM C34H61N7O10S 759.4201 NA PeJP NA NA +PJ029003 AKKEER C31H57N11O11 759.4239 NA PeJP NA NA +PJ029004 GGGADKKK C31H57N11O11 759.424 NA PeJP NA NA +PJ029005 SRRRW C32H53N15O7 759.4253 NA PeJP NA NA +PJ029006 SVLQKW C36H57N9O9 759.4279 NA PeJP NA NA +PJ029007 GLKKEW C36H57N9O9 759.428 NA PeJP NA NA +PJ029008 AAMRRR C29H57N15O7S 759.4287 NA PeJP NA NA +PJ029009 VLLEMR C33H61N9O9S 759.4313 NA PeJP NA NA +PJ029010 PVVLFW C41H57N7O7 759.432 NA PeJP NA NA +PJ029011 ATKERR C30H57N13O10 759.4352 NA PeJP NA NA +PJ029012 VVLLMW C38H61N7O7S 759.4354 NA PeJP NA NA +PJ029013 ATTLLLE C34H61N7O12 759.4378 NA PeJP NA NA +PJ029014 VVTTLLD C34H61N7O12 759.4379 NA PeJP NA NA +PJ029015 GTLKRW C35H57N11O8 759.4392 NA PeJP NA NA +MJ093454 Erythromycin; Cyclic 11,12-carbonate C38H65NO14 759.440505 NA MeJP NA NA +MJ093455 Tylosin B; 20-Alcohol, 3C-O-de-Me C38H65NO14 759.440505 NA MeJP NA NA +PJ029016 PTKKMR C32H61N11O8S 759.4426 NA PeJP NA NA +PJ029017 LKKWW C40H57N9O6 759.4432 NA PeJP NA NA +PJ029018 ATTRRR C29H57N15O9 759.4464 NA PeJP NA NA +PJ029019 VKKKEE C33H61N9O11 759.4491 NA PeJP NA NA +PJ029020 GPKFRR C34H57N13O7 759.4504 NA PeJP NA NA +MJ093456 Anabaenopeptin I C38H61N7O9 759.453076 NA MeJP NA NA +PJ029021 AAPLLLY C38H61N7O9 759.4531 NA PeJP NA NA +PJ029022 GLKMRR C31H61N13O7S 759.4538 NA PeJP NA NA +PJ029023 GTLLLLM C35H65N7O9S 759.4565 NA PeJP NA NA +PJ029024 SLKKER C32H61N11O10 759.4603 NA PeJP NA NA +PJ029025 SVLKKW C37H61N9O8 759.4643 NA PeJP NA NA +PJ029026 GAPLKKF C37H61N9O8 759.4644 NA PeJP NA NA +PJ029027 LLQKKM C34H65N9O8S 759.4677 NA PeJP NA NA +PJ029028 SNKKKR C31H61N13O9 759.4715 NA PeJP NA NA +PJ029029 STLKRR C31H61N13O9 759.4716 NA PeJP NA NA +PJ029030 STTLLLL C35H65N7O11 759.4742 NA PeJP NA NA +PJ029031 LLLKHH C36H61N11O7 759.4756 NA PeJP NA NA +PJ029032 VVKKMR C33H65N11O7S 759.4789 NA PeJP NA NA +HMDB09137 PE(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C43H70NO8P 759.483887 NA HMDB2010 NA NA +HMDB09170 PE(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C43H70NO8P 759.483887 NA HMDB2010 NA NA +HMDB09201 PE(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) C43H70NO8P 759.483887 NA HMDB2010 NA NA +HMDB09202 PE(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) C43H70NO8P 759.483887 NA HMDB2010 NA NA +HMDB09393 PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) C43H70NO8P 759.483887 NA HMDB2010 NA NA +HMDB09426 PE(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) C43H70NO8P 759.483887 NA HMDB2010 NA NA +HMDB09457 PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)) C43H70NO8P 759.483887 NA HMDB2010 NA NA +HMDB09458 PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) C43H70NO8P 759.483887 NA HMDB2010 NA NA +PJ029033 GTTLLKK C34H65N9O10 759.4855 NA PeJP NA NA +PJ029034 AALLLLF C39H65N7O8 759.4895 NA PeJP NA NA +PJ029035 TQKKKK C33H65N11O9 759.4967 NA PeJP NA NA +PJ029036 VLLLFR C38H65N9O7 759.5007 NA PeJP NA NA +PJ029037 LLKKKM C35H69N9O7S 759.5041 NA PeJP NA NA +HMDB12358 PS(16:0/18:2(9Z,12Z)) C40H74NO10P 759.505005 NA HMDB2010 NA NA +HMDB12368 PS(16:1(9Z)/18:1(9Z)) C40H74NO10P 759.505005 NA HMDB2010 NA NA +HMDB12388 PS(18:1(9Z)/16:1(9Z)) C40H74NO10P 759.505005 NA HMDB2010 NA NA +HMDB12398 PS(18:2(9Z,12Z)/16:0) C40H74NO10P 759.505005 NA HMDB2010 NA NA +PJ029038 TKKKKK C34H69N11O8 759.5331 NA PeJP NA NA +MJ093457 Phosphatidylcholine; Glycerol 1-hexadecanoate 2-(9-octadecenoate) 3-phosphocholine C42H82NO8P 759.577805 NA MeJP NA NA +EUR939 PC 34:1 monoisotopic mass C42H82NO8P 759.577807 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1029 16:0-18:1 PC monoisotopic mass C42H82NO8P 759.577807 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR939 PC 34:1 monoisotopic mass C42H82NO8P 759.577807 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1029 16:0-18:1 PC monoisotopic mass C42H82NO8P 759.577807 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR939 PC 34:1 monoisotopic mass C42H82NO8P 759.577807 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1029 16:0-18:1 PC monoisotopic mass C42H82NO8P 759.577807 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR939 PC 34:1 monoisotopic mass C42H82NO8P 759.577807 masses lipides attendues Inhousejuil11 NA NA +EUR1029 16:0-18:1 PC monoisotopic mass C42H82NO8P 759.577807 masses lipides attendues Inhousejuil11 NA NA +HMDB07879 PC(14:0/20:1(11Z)) C42H82NO8P 759.57782 NA HMDB2010 NA NA +HMDB07911 PC(14:1(9Z)/20:0) C42H82NO8P 759.57782 NA HMDB2010 NA NA +HMDB07971 PC(16:0/18:1(11Z)) C42H82NO8P 759.57782 NA HMDB2010 NA NA +HMDB07972 PC(16:0/18:1(9Z)) C42H82NO8P 759.57782 NA HMDB2010 NA NA +HMDB08003 PC(16:1(9Z)/18:0) C42H82NO8P 759.57782 NA HMDB2010 NA NA +HMDB08035 PC(18:0/16:1(9Z)) C42H82NO8P 759.57782 NA HMDB2010 NA NA +HMDB08067 PC(18:1(11Z)/16:0) C42H82NO8P 759.57782 NA HMDB2010 NA NA +HMDB08100 PC(18:1(9Z)/16:0) C42H82NO8P 759.57782 NA HMDB2010 NA NA +HMDB08263 PC(20:0/14:1(9Z)) C42H82NO8P 759.57782 NA HMDB2010 NA NA +HMDB08295 PC(20:1(11Z)/14:0) C42H82NO8P 759.57782 NA HMDB2010 NA NA +HMDB08908 PE(15:0/22:1(13Z)) C42H82NO8P 759.57782 NA HMDB2010 NA NA +HMDB09516 PE(22:1(13Z)/15:0) C42H82NO8P 759.57782 NA HMDB2010 NA NA +EUR544 16 :0-18 :1 PC F1 NA 759.578725 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR544 16 :0-18 :1 PC F1 NA 759.578725 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR544 16 :0-18 :1 PC F1 NA 759.578725 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR544 16 :0-18 :1 PC F1 NA 759.578725 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR544 16 :0-18 :1 PC F1 NA 759.578725 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR544 16 :0-18 :1 PC F1 NA 759.578725 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR544 16 :0-18 :1 PC F1 NA 759.578725 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR544 16 :0-18 :1 PC F1 NA 759.578725 standards wishlist analysés sur QTOF HMDB NA NA +EUR544 16 :0-18 :1 PC F1 NA 759.578725 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR544 16 :0-18 :1 PC F1 NA 759.578725 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR544 16 :0-18 :1 PC F1 NA 759.578725 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR544 16 :0-18 :1 PC F1 NA 759.578725 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB09247 PE(20:0/dm18:0) C43H86NO7P 759.614197 NA HMDB2010 NA NA +HMDB09510 PE(22:0/P-16:0) C43H86NO7P 759.614197 NA HMDB2010 NA NA +HMDB11355 PE(P-16:0/22:0) C43H86NO7P 759.614197 NA HMDB2010 NA NA +HMDB11380 PE(P-18:0/20:0) C43H86NO7P 759.614197 NA HMDB2010 NA NA +MJ093458 Vidalol B C20H13Br5O7 759.657816 NA MeJP NA NA +8110 peptide derived from tuna backbone protein VKAGFAWTANQQLS 759.88145 MH2+ Inhouse_peptide NA peptide +8209 RL-Y6C10/G6G10 - synthetic peptide AMRLTGNRPGLYAT 759.88915 MH2+ Inhouse_peptide NA peptide +8211 RL-C10Y12/G10G12 - synthetic peptide AMRLTYNRPGLGAT 759.88915 MH2+ Inhouse_peptide NA peptide +MJ093459 Chaetocin C C30H28N6O6S6 760.039456 NA MeJP NA NA +MJ093460 1,2,3-Trigalloylglucose; ?-D-Pyranose-form, 3'-O-(3,4,5-Trihydroxyphenyl) C33H28O21 760.112307 NA MeJP NA NA +MJ093461 Prodelphinidin A2; 3'-O-(3,4,5-Trihydroxybenzoyl) C37H28O18 760.127564 NA MeJP NA NA +MJ093462 Samarangenin A C37H28O18 760.127564 NA MeJP NA NA +PJ029039 SCCCCNE C24H40N8O12S4 760.1649 NA PeJP NA NA +PJ029040 GSCCCCW C28H40N8O9S4 760.1801 NA PeJP NA NA +PJ029041 GSSSCCCD C24H40N8O14S3 760.1826 NA PeJP NA NA +PJ029042 GCCCNMM C25H44N8O9S5 760.1835 NA PeJP NA NA +PJ029043 ACCCCCR C24H44N10O8S5 760.1947 NA PeJP NA NA +PJ029044 GCCCNDF C28H40N8O11S3 760.1979 NA PeJP NA NA +PJ029045 SSCCCQM C25H44N8O11S4 760.2013 NA PeJP NA NA +PJ029046 CDDDMY C29H40N6O14S2 760.2044 NA PeJP NA NA +PJ029047 CDMMMM C27H48N6O9S5 760.2087 NA PeJP NA NA +PJ029048 SSCCCCR C24H44N10O10S4 760.2125 NA PeJP NA NA +PJ029049 GSCCNDY C28H40N8O13S2 760.2157 NA PeJP NA NA +PJ029050 GSSSSCCM C25H44N8O13S3 760.219 NA PeJP NA NA +PJ029051 ACCCCKM C26H48N8O8S5 760.2199 NA PeJP NA NA +MJ093463 Oleuropein; 10-Hydroxy, 6'-(3,4-dihydroxy-E-cinnamoyl), 3''-Ac C36H40O18 760.221464 NA MeJP NA NA +PJ029052 CCEEMF C30H44N6O11S3 760.223 NA PeJP NA NA +PJ029053 CDDMMF C30H44N6O11S3 760.2231 NA PeJP NA NA +PJ029054 CCMMHH C28H44N10O7S4 760.2278 NA PeJP NA NA +PJ029055 DDDEMH C28H40N8O15S 760.2334 NA PeJP NA NA +PJ029056 CCNQMY C29H44N8O10S3 760.2343 NA PeJP NA NA +PJ029057 SSSSSTCC C25H44N8O15S2 760.2368 NA PeJP NA NA +PJ029058 CDDDFF C33H40N6O13S 760.2374 NA PeJP NA NA +PJ029059 SSCCCKM C26H48N8O10S4 760.2377 NA PeJP NA NA +PJ029060 GCCNNNH C26H40N12O11S2 760.2381 NA PeJP NA NA +PJ029061 GGGGGGGCCH C26H40N12O11S2 760.2382 NA PeJP NA NA +PJ029062 SDDMMY C30H44N6O13S2 760.2408 NA PeJP NA NA +PJ029063 CCDHHF C31H40N10O9S2 760.2422 NA PeJP NA NA +MJ093464 3,3',4',5,7-Pentahydroxyflavan, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C33H44O20 760.242593 NA MeJP NA NA +PJ029064 ASCNDDH C27H40N10O14S 760.2446 NA PeJP NA NA +PJ029065 GSCNDEH C27H40N10O14S 760.2447 NA PeJP NA NA +PJ029066 SMMMMM C28H52N6O8S5 760.245 NA PeJP NA NA +PJ029067 CCCNRY C28H44N10O9S3 760.2455 NA PeJP NA NA +PJ029068 GPNDDDE C28H40N8O17 760.2512 NA PeJP NA NA +PJ029069 GSSCNMY C29H44N8O12S2 760.252 NA PeJP NA NA +PJ029070 GDDEYY C33H40N6O15 760.2552 NA PeJP NA NA +PJ029071 PCCEFY C34H44N6O10S2 760.2561 NA PeJP NA NA +FL5FABGI0019 Epimedoside C37H44O17 760.25784 106441-31-0 knapsack NA NA +MJ093465 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[6-O-acetyl-?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside] C37H44O17 760.257849 NA MeJP NA NA +PJ029072 GEMMMY C31H48N6O10S3 760.2594 NA PeJP NA NA +PJ029073 SCNDHW C31H40N10O11S 760.2599 NA PeJP NA NA +PJ029074 SSSNDDH C27H40N10O16 760.2624 NA PeJP NA NA +PJ029075 NNDMMH C28H44N10O11S2 760.2633 NA PeJP NA NA +PJ029076 PNDDDW C32H40N8O14 760.2664 NA PeJP NA NA +PJ029077 CCNQFF C33H44N8O9S2 760.2673 NA PeJP NA NA +PJ029078 SSSSCQY C29H44N8O14S 760.2698 NA PeJP NA NA +PJ029079 DDYYW C37H40N6O12 760.2704 NA PeJP NA NA +PJ029080 CCNKMY C30H48N8O9S3 760.2707 NA PeJP NA NA +MJ093466 3,3',4,5',7,9,9'-Heptahydroxy-8,4'-oxyneolignan, 3,3',5'-Tri-Me ether, 9,9'-bis-O-(4-hydroxy-3-methoxycinnamoyl)(E-) C41H44O14 760.273106 NA MeJP NA NA +PJ029081 GNNNNND C26H40N12O15 760.2736 NA PeJP NA NA +PJ029082 GGGGGNNND C26H40N12O15 760.2737 NA PeJP NA NA +PJ029083 SPCEYY C34H44N6O12S 760.2738 NA PeJP NA NA +PJ029084 CCNEHR C27H44N12O10S2 760.2745 NA PeJP NA NA +PJ029085 MMMYW C35H48N6O7S3 760.2747 NA PeJP NA NA +PJ029086 PEEEEE C30H44N6O17 760.2763 NA PeJP NA NA +PJ029087 STEMMY C31H48N6O12S2 760.2772 NA PeJP NA NA +PJ029088 NNDDHF C31H40N10O13 760.2777 NA PeJP NA NA +PJ029089 AMMMMF C32H52N6O7S4 760.2781 NA PeJP NA NA +PJ029090 GCQMHW C32H44N10O8S2 760.2785 NA PeJP NA NA +MJ093467 Caeruleoside A C34H48O19 760.278979 NA MeJP NA NA +PJ029091 GSSNEMH C28H44N10O13S 760.281 NA PeJP NA NA +PJ029092 GGGGGPNDM C28H44N10O13S 760.2811 NA PeJP NA NA +PJ029093 APCCCKH C29H48N10O8S3 760.2819 NA PeJP NA NA +PJ029094 CNNHHH C29H40N14O9S 760.2824 NA PeJP NA NA +PJ029095 GNNMYY C33H44N8O11S 760.285 NA PeJP NA NA +PJ029096 GSPPCDW C33H44N8O11S 760.2851 NA PeJP NA NA +PJ029097 GSSSSSSY C29H44N8O16 760.2875 NA PeJP NA NA +PJ029098 GSPNEEE C29H44N8O16 760.2876 NA PeJP NA NA +MJ093468 1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 1,2,8,9-Tetrabenzoyl, 6-Ac C45H44O11 760.288362 NA MeJP NA NA +MJ093469 Albanin G C45H44O11 760.288362 NA MeJP NA NA +MJ093470 Brosimone D C45H44O11 760.288362 NA MeJP NA NA +MJ093471 Kuwanon N C45H44O11 760.288362 NA MeJP NA NA +MJ093472 Moracenin C C45H44O11 760.288362 NA MeJP NA NA +C10100 Kuwanone H C45H44O11 760.2884 NA KEGG NA NA +PJ029099 GSTCCKY C30H48N8O11S2 760.2884 NA PeJP NA NA +PJ029100 SDEHHH C30H40N12O12 760.2889 NA PeJP NA NA +PJ029101 DMFYW C38H44N6O9S 760.2891 NA PeJP NA NA +PJ029102 GCCHRW C31H44N12O7S2 760.2898 NA PeJP NA NA +PJ029103 GTEEYY C34H44N6O14 760.2916 NA PeJP NA NA +PJ029104 GSSCDHR C27H44N12O12S 760.2923 NA PeJP NA NA +PJ029105 GPMMYY C35H48N6O9S2 760.2924 NA PeJP NA NA +PJ029106 GEMMFF C35H48N6O9S2 760.2925 NA PeJP NA NA +HMDB10332 Bilirubin glucuronide C39H44N4O12 760.295593 NA HMDB2010 NA NA +C03374 Bilirubin-glucuronoside C39H44N4O12 760.2956 NA KEGG NA NA +PJ029107 SVMMMY C32H52N6O9S3 760.2958 NA PeJP NA NA +PJ029108 SSNMHW C32H44N10O10S 760.2963 NA PeJP NA NA +PJ029109 GSPDDDR C28H44N10O15 760.2988 NA PeJP NA NA +PJ029110 SQQMMH C29H48N10O10S2 760.2996 NA PeJP NA NA +PJ029111 GPPCCER C29H48N10O10S2 760.2997 NA PeJP NA NA +PJ029112 SPNEEW C33H44N8O13 760.3028 NA PeJP NA NA +PJ029113 PPCQMW C34H48N8O8S2 760.3037 NA PeJP NA NA +PJ029114 SSSSCKY C30H48N8O13S 760.3062 NA PeJP NA NA +PJ029115 TEYYW C38H44N6O11 760.3068 NA PeJP NA NA +PJ029116 AEMHHH C31H44N12O9S 760.3075 NA PeJP NA NA +PJ029117 MMFFW C39H48N6O6S2 760.3077 NA PeJP NA NA +MJ093473 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 13-Cinnamoyl, 9-benzoyl, 2,4,7-tri-Ac C42H48O13 760.309491 NA MeJP NA NA +PJ029118 NNNDER C27H44N12O14 760.31 NA PeJP NA NA +PJ029119 GGGGGGGGGTQ C27H44N12O14 760.3101 NA PeJP NA NA +PJ029120 GVEMYY C35H48N6O11S 760.3102 NA PeJP NA NA +PJ029121 SCQMHR C28H48N12O9S2 760.3109 NA PeJP NA NA +PJ029122 ACHHFF C36H44N10O7S 760.3115 NA PeJP NA NA +MJ093474 Pipecuronium(2+); Dibromide C35H62Br2N4O4 760.313781 NA MeJP NA NA +PJ029123 GSSSTHW C32H44N10O12 760.314 NA PeJP NA NA +PJ029124 GGGGAQEW C32H44N10O12 760.3141 NA PeJP NA NA +PJ029125 PPCCRW C33H48N10O7S2 760.3149 NA PeJP NA NA +MJ093475 Anodendrosin E C35H52O18 760.315364 NA MeJP NA NA +PJ029126 PNDEMR C29H48N10O12S 760.3174 NA PeJP NA NA +PJ029127 GSPEWW C37H44N8O10 760.3181 NA PeJP NA NA +PJ029128 APQEMW C34H48N8O10S 760.3214 NA PeJP NA NA +PJ029129 GGPVDMW C34H48N8O10S 760.3215 NA PeJP NA NA +PJ029130 DFFFW C42H44N6O8 760.3221 NA PeJP NA NA +PJ029131 VQQEEE C30H48N8O15 760.3239 NA PeJP NA NA +PJ029132 GGLQEEE C30H48N8O15 760.324 NA PeJP NA NA +PJ029133 TLEMMH C31H52N8O10S2 760.3248 NA PeJP NA NA +PJ029134 GNNDRW C31H44N12O11 760.3253 NA PeJP NA NA +PJ029135 VMYYW C39H48N6O8S 760.3255 NA PeJP NA NA +PJ029136 GHHHHH C32H40N16O7 760.3266 NA PeJP NA NA +PJ029137 SSLEYY C35H48N6O13 760.328 NA PeJP NA NA +PJ029138 GSSSMHR C28H48N12O11S 760.3286 NA PeJP NA NA +PJ029139 PCDDRR C28H48N12O11S 760.3287 NA PeJP NA NA +PJ029140 GLMMFY C36H52N6O8S2 760.3288 NA PeJP NA NA +PJ029141 NQQWW C36H44N10O9 760.3293 NA PeJP NA NA +PJ029142 GPDMRW C33H48N10O9S 760.3327 NA PeJP NA NA +PJ029143 SPWWW C41H44N8O7 760.3333 NA PeJP NA NA +PJ029144 AQEEER C29H48N10O14 760.3352 NA PeJP NA NA +PJ029145 GPPTCMR C30H52N10O9S2 760.336 NA PeJP NA NA +PJ029146 GGTKMMH C30H52N10O9S2 760.3361 NA PeJP NA NA +MJ093476 Cyclo(3-aminoalanylleucylmethionyl-?-aspartyltryptophylalanyl) cyclic(4?1)peptide C38H48N8O7S 760.336666 NA MeJP NA NA +PJ029147 AAPMWW C38H48N8O7S 760.3367 NA PeJP NA NA +PJ029148 GLQEEW C34H48N8O12 760.3392 NA PeJP NA NA +PJ029149 PPCKMW C35H52N8O7S2 760.3401 NA PeJP NA NA +PJ029150 GPQHHW C35H44N12O8 760.3405 NA PeJP NA NA +PJ029151 PQKEEM C31H52N8O12S 760.3426 NA PeJP NA NA +PJ029152 GPVYYY C39H48N6O10 760.3432 NA PeJP NA NA +PJ029153 VLMMMH C32H56N8O7S3 760.3434 NA PeJP NA NA +PJ029154 GNMHFR C32H48N12O8S 760.3439 NA PeJP NA NA +PJ029155 GDEERR C28H48N12O13 760.3464 NA PeJP NA NA +PJ029156 ATLMYY C36H52N6O10S 760.3466 NA PeJP NA NA +PJ029157 SCKMHR C29H52N12O8S2 760.3473 NA PeJP NA NA +PJ029158 LLEEEE C32H52N6O15 760.3491 NA PeJP NA NA +PJ029159 AAEERW C33H48N10O11 760.3504 NA PeJP NA NA +PJ029160 GGGGAKEW C33H48N10O11 760.3505 NA PeJP NA NA +PJ029161 PPHHHH C34H44N14O7 760.3518 NA PeJP NA NA +PJ029162 PTQEMR C30H52N10O11S 760.3538 NA PeJP NA NA +PJ029163 LQEWW C38H48N8O9 760.3544 NA PeJP NA NA +PJ029164 GALEWW C38H48N8O9 760.3545 NA PeJP NA NA +MJ093477 Disorazole B1; 9',10'-Diol C42H52N2O11 760.35711 NA MeJP NA NA +MJ093478 Nicaustrine; N3'-De-Me C42H52N2O11 760.35711 NA MeJP NA NA +PJ029165 SNNDRR C27H48N14O12 760.3576 NA PeJP NA NA +PJ029166 GGGGSDRR C27H48N14O12 760.3577 NA PeJP NA NA +PJ029167 APKEMW C35H52N8O9S 760.3578 NA PeJP NA NA +PJ029168 VFFYW C43H48N6O7 760.3585 NA PeJP NA NA +PJ029169 VQKEEE C31H52N8O14 760.3603 NA PeJP NA NA +PJ029170 GPPTKMM C32H56N8O9S2 760.3612 NA PeJP NA NA +PJ029171 DERRW C32H48N12O10 760.3617 NA PeJP NA NA +PJ029172 GLMFFF C40H52N6O7S 760.3619 NA PeJP NA NA +PJ029173 TTTLYY C36H52N6O12 760.3643 NA PeJP NA NA +PJ029174 SPDMRR C29H52N12O10S 760.365 NA PeJP NA NA +PJ029175 GGGGVQMR C29H52N12O10S 760.3651 NA PeJP NA NA +PJ029176 VDRWW C37H48N10O8 760.3657 NA PeJP NA NA +MJ093479 Acteol; 7,8-Didehydro, 12-Ac, 3-O-(2-O-malonyl-?-D-xylopyranoside) C40H56O14 760.367006 NA MeJP NA NA +PJ029177 APTMRW C34H52N10O8S 760.3691 NA PeJP NA NA +PJ029178 ALWWW C42H48N8O6 760.3697 NA PeJP NA NA +PJ029179 SSSPQQK C30H52N10O13 760.3715 NA PeJP NA NA +PJ029180 AKEEER C30H52N10O13 760.3716 NA PeJP NA NA +PJ029181 PVQMMR C31H56N10O8S2 760.3724 NA PeJP NA NA +PJ029182 SPQHHR C31H48N14O9 760.3729 NA PeJP NA NA +PJ029183 GLKEEW C35H52N8O11 760.3756 NA PeJP NA NA +PJ029184 GNQMRR C28H52N14O9S 760.3763 NA PeJP NA NA +PJ029185 GPKHHW C36H48N12O7 760.3769 NA PeJP NA NA +PJ029186 SPPTTKM C32H56N8O11S 760.3789 NA PeJP NA NA +PJ029187 PKKEEM C32H56N8O11S 760.379 NA PeJP NA NA +PJ029188 GVLFYY C40H52N6O9 760.3796 NA PeJP NA NA +PJ029189 ACKHFR C33H52N12O7S 760.3803 NA PeJP NA NA +PJ029190 ATEERR C29H52N12O12 760.3828 NA PeJP NA NA +PJ029191 APMMRR C30H56N12O7S2 760.3837 NA PeJP NA NA +PJ029192 GTLERW C34H52N10O10 760.3868 NA PeJP NA NA +PJ029193 GCNRRR C27H52N16O8S 760.3875 NA PeJP NA NA +PJ029194 PTKEMR C31H56N10O10S 760.3902 NA PeJP NA NA +PJ029195 LKEWW C39H52N8O8 760.3908 NA PeJP NA NA +PJ029196 GAAPLFW C39H52N8O8 760.3909 NA PeJP NA NA +PJ029197 SSQQRR C28H52N14O11 760.394 NA PeJP NA NA +PJ029198 SPLKMW C36H56N8O8S 760.3942 NA PeJP NA NA +PJ029199 VKKEEE C32H56N8O13 760.3967 NA PeJP NA NA +PJ029200 AAPLKMM C33H60N8O8S2 760.3976 NA PeJP NA NA +PJ029201 SSKHFR C33H52N12O9 760.398 NA PeJP NA NA +PJ029202 GSQKRW C33H52N12O9 760.3981 NA PeJP NA NA +PJ029203 GLEMRR C30H56N12O9S 760.4014 NA PeJP NA NA +PJ029204 TLRWW C38H52N10O7 760.4021 NA PeJP NA NA +PJ029205 GVLMRW C35H56N10O7S 760.4055 NA PeJP NA NA +PJ029206 SLKEER C31H56N10O12 760.4079 NA PeJP NA NA +PJ029207 VTKEER C31H56N10O12 760.408 NA PeJP NA NA +PJ029208 PVKMMR C32H60N10O7S2 760.4088 NA PeJP NA NA +PJ029209 SPKHHR C32H52N14O8 760.4093 NA PeJP NA NA +PJ029210 SVLKEW C36H56N8O10 760.412 NA PeJP NA NA +PJ029211 GNKMRR C29H56N14O8S 760.4127 NA PeJP NA NA +PJ029212 PFRRW C37H52N12O6 760.4133 NA PeJP NA NA +PJ029213 LLQKEM C33H60N8O10S 760.4153 NA PeJP NA NA +PJ029214 GALLKEM C33H60N8O10S 760.4154 NA PeJP NA NA +PJ029215 LMRRW C34H56N12O6S 760.4167 NA PeJP NA NA +PJ029216 STLERR C30H56N12O11 760.4192 NA PeJP NA NA +MJ093480 Conodurine; 3-(2-Oxopropyl) C46H56N4O6 760.419985 NA MeJP NA NA +PJ029217 GVHHRR C31H52N16O7 760.4205 NA PeJP NA NA +PJ029218 SSLLRW C35H56N10O9 760.4232 NA PeJP NA NA +MJ093481 3,14-Clerodadiene-6,13-diol, 13-O-[?-D-Fucopyranosyl-(1?2)-?-L-rhamnopyranoside], 6-O-glucopyranoside C38H64O15 760.424521 NA MeJP NA NA +MJ093482 Furostane-1,2,3,22,26-pentol, 1-O-?-L-Arabinopyranoside, 26-O-?-D-glucopyranoside C38H64O15 760.424521 NA MeJP NA NA +PJ029219 VVKEMR C32H60N10O9S 760.4266 NA PeJP NA NA +PJ029220 APLKFW C40H56N8O7 760.4272 NA PeJP NA NA +PJ029221 SSQKRR C29H56N14O10 760.4304 NA PeJP NA NA +PJ029222 ALLKMW C37H60N8O7S 760.4306 NA PeJP NA NA +PJ029223 HHRRR C30H52N18O6 760.4318 NA PeJP NA NA +PJ029224 GTTLLKE C33H60N8O12 760.4331 NA PeJP NA NA +PJ029225 GSKKRW C34H56N12O8 760.4344 NA PeJP NA NA +PJ029226 GPPVVHR C34H56N12O8 760.4345 NA PeJP NA NA +PJ029227 SVLMRR C31H60N12O8S 760.4378 NA PeJP NA NA +MJ093483 Antibiotic SF 2487 C42H64O12 760.439777 NA MeJP NA NA +C11974 Avermectin A2a monosaccharide C42H64O12 760.4398 NA KEGG NA NA +PJ029228 GTTTLLR C32H60N10O11 760.4443 NA PeJP NA NA +PJ029229 PPVHRR C33H56N14O7 760.4457 NA PeJP NA NA +PJ029230 TTLLKW C37H60N8O9 760.4484 NA PeJP NA NA +PJ029231 ACKKRR C30H60N14O7S 760.449 NA PeJP NA NA +PJ029232 LLKKEM C34H64N8O9S 760.4517 NA PeJP NA NA +PJ029233 SDKKKR C31H60N12O10 760.4556 NA PeJP NA NA +PJ029234 ATKKKW C36H60N10O8 760.4596 NA PeJP NA NA +MJ093484 Cholestane-3,4,6,8,15,24-hexol, 24-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] C39H68O14 760.460906 NA MeJP NA NA +MJ093485 Cholestane-3,4,6,8,15,24-hexol, 3-O-(2,4-Di-O-methyl-?-D-xylopyranoside), 24-O-?-L-arabinofuranoside C39H68O14 760.460906 NA MeJP NA NA +MJ093486 Cholestane-3,4,6,8,15,24-hexol, 24-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] C39H68O14 760.460906 NA MeJP NA NA +MJ093487 Cholestane-3,4,6,8,15,24-hexol, 24-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?5)-?-L-arabinofuranoside] C39H68O14 760.460906 NA MeJP NA NA +MJ093488 Cholestane-3,6,7,8,15,24-hexol, 24-O-[4-O-Methyl-?-D-xylopyranosyl-(1?2)-3-O-methyl-?-D-xylopyranoside] C39H68O14 760.460906 NA MeJP NA NA +MJ093489 Stigmastane-3,4,6,8,15,29-hexol, 29-O-[?-D-Xylopyranosyl-(1?2)-?-D-xylopyranoside] C39H68O14 760.460906 NA MeJP NA NA +PJ029235 TLLKMR C33H64N10O8S 760.463 NA PeJP NA NA +PJ029236 SSKKRR C30H60N14O9 760.4668 NA PeJP NA NA +PJ029237 SSTLLLK C34H64N8O11 760.4695 NA PeJP NA NA +PJ029238 GLLFRR C35H60N12O7 760.4708 NA PeJP NA NA +PJ029239 AKKKMR C32H64N12O7S 760.4742 NA PeJP NA NA +PJ029240 TKKKKE C33H64N10O10 760.4807 NA PeJP NA NA +PJ029241 PLLKKY C38H64N8O8 760.4847 NA PeJP NA NA +PJ029242 GALLLKF C38H64N8O8 760.4848 NA PeJP NA NA +PJ029243 TTKKKR C32H64N12O9 760.492 NA PeJP NA NA +PJ029244 VVLKFR C37H64N10O7 760.496 NA PeJP NA NA +PJ029245 VKKKKM C34H68N10O7S 760.4994 NA PeJP NA NA +MJ093490 Oligomycin D; 12-Deoxy C44H72O10 760.512548 NA MeJP NA NA +PJ029246 LLLKKF C39H68N8O7 760.5211 NA PeJP NA NA +C13875 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine C42H83NO8P 760.5856 NA KEGG NA NA +HMDB12090 SM(d18:0/20:0) C43H89N2O6P 760.645813 NA HMDB2010 NA NA +EUR1049 SM(d18:0/20:0) monoisotopic mass C43H89N2O6P 760.645826 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1049 SM(d18:0/20:0) monoisotopic mass C43H89N2O6P 760.645826 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1049 SM(d18:0/20:0) monoisotopic mass C43H89N2O6P 760.645826 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1049 SM(d18:0/20:0) monoisotopic mass C43H89N2O6P 760.645826 masses lipides attendues Inhousejuil11 NA NA +HMDB07645 DG(22:1(13Z)/24:1(15Z)/0:0) C49H92O5 760.694458 NA HMDB2010 NA NA +HMDB07673 DG(22:2(13Z,16Z)/24:0/0:0) C49H92O5 760.694458 NA HMDB2010 NA NA +HMDB07813 DG(24:0/22:2(13Z,16Z)/0:0) C49H92O5 760.694458 NA HMDB2010 NA NA +HMDB07841 DG(24:1(15Z)/22:1(13Z)/0:0) C49H92O5 760.694458 NA HMDB2010 NA NA +MJ093491 1-Hexacosanol; Hexacosanoyl C52H104O2 760.803632 NA MeJP NA NA +MJ093492 1-Pentacontanol; Ac C52H104O2 760.803632 NA MeJP NA NA +MJ093493 1-Tetracosanol; Octacosanoyl C52H104O2 760.803632 NA MeJP NA NA +MJ093494 4,5-Epoxy-26-dopentacontanol C52H104O2 760.803632 NA MeJP NA NA +3862 vespa-like peptide from V, Orientalis FLPLILGKLVKGLL~ 761.011 MH2+ Inhouse_peptide NA peptide +MJ093495 Diazonamide B C35H26BrCl2N5O6 761.044351 NA MeJP NA NA +PJ029247 CCCCCNN C23H39N9O10S5 761.1424 NA PeJP NA NA +PJ029248 SCCCCDE C24H39N7O13S4 761.1489 NA PeJP NA NA +PJ029249 PCCCCCM C25H43N7O8S6 761.1498 NA PeJP NA NA +PJ029250 GCCCDMM C25H43N7O10S5 761.1675 NA PeJP NA NA +PJ029251 GCCCDDF C28H39N7O12S3 761.1819 NA PeJP NA NA +PJ029252 SSCCCEM C25H43N7O12S4 761.1853 NA PeJP NA NA +PJ029253 GCCCCHH C26H39N11O8S4 761.1866 NA PeJP NA NA +PJ029254 GSCCDDY C28H39N7O14S2 761.1997 NA PeJP NA NA +PJ029255 APCCCCY C29H43N7O9S4 761.2005 NA PeJP NA NA +PJ029256 GSCCMMM C26H47N7O9S5 761.2039 NA PeJP NA NA +PJ029257 PPCCCCH C28H43N9O8S4 761.2118 NA PeJP NA NA +PJ029258 CCNEMY C29H43N7O11S3 761.2183 NA PeJP NA NA +PJ029259 SSTCCMM C26H47N7O11S4 761.2217 NA PeJP NA NA +PJ029260 GCCNNDH C26H39N11O12S2 761.2221 NA PeJP NA NA +PJ029261 GGGCCNDH C26H39N11O12S2 761.2222 NA PeJP NA NA +PJ029262 GSCDDEH C27H39N9O15S 761.2287 NA PeJP NA NA +PJ029263 CCCDRY C28H43N9O10S3 761.2295 NA PeJP NA NA +PJ029264 GCCMYW C33H43N7O8S3 761.2336 NA PeJP NA NA +PJ029265 GPDDDDE C28H39N7O18 761.2352 NA PeJP NA NA +PJ029266 GSSCDMY C29H43N7O13S2 761.2361 NA PeJP NA NA +PJ029267 CCQMMF C30H47N7O8S4 761.2369 NA PeJP NA NA +PJ029268 SCDDHW C31H39N9O12S 761.2439 NA PeJP NA NA +PJ029269 SSSDDDH C27H39N9O17 761.2464 NA PeJP NA NA +PJ029270 NDDMMH C28H43N9O12S2 761.2473 NA PeJP NA NA +PJ029271 CCCMFR C29H47N9O7S4 761.2482 NA PeJP NA NA +PJ029272 PDDDDW C32H39N7O15 761.2505 NA PeJP NA NA +PJ029273 STCCYW C33H43N7O10S2 761.2513 NA PeJP NA NA +MJ093496 Perdeacylevonine; 1,2,4,9,14-Penta-Ac C36H43NO17 761.253098 NA MeJP NA NA +MJ093497 Perdeacylwilforine; 8-Ketone, 1,2,6,9,14-penta-Ac C36H43NO17 761.253098 NA MeJP NA NA +PJ029274 SSSSCEY C29H43N7O15S 761.2538 NA PeJP NA NA +PJ029275 SCQMMY C30H47N7O10S3 761.2547 NA PeJP NA NA +PJ029276 GNNNNDD C26H39N11O16 761.2577 NA PeJP NA NA +PJ029277 CCDEHR C27H43N11O11S2 761.2585 NA PeJP NA NA +PJ029278 NDDDHF C31H39N9O14 761.2617 NA PeJP NA NA +MJ093498 Ecteinascidin 743 C39H43N3O11S 761.261829 NA MeJP NA NA +PJ029279 ACDMHW C32H43N9O9S2 761.2625 NA PeJP NA NA +PJ029280 GCEMHW C32H43N9O9S2 761.2626 NA PeJP NA NA +PJ029281 SSVCDDH C28H43N9O14S 761.265 NA PeJP NA NA +PJ029282 GSSDEMH C28H43N9O14S 761.2651 NA PeJP NA NA +PJ029283 SCCMRY C29H47N9O9S3 761.2659 NA PeJP NA NA +PJ029284 CNDHHH C29H39N13O10S 761.2664 NA PeJP NA NA +PJ029285 GCCFFW C37H43N7O7S2 761.2666 NA PeJP NA NA +PJ029286 GNDMYY C33H43N7O12S 761.2691 NA PeJP NA NA +PJ029287 GSPDEEE C29H43N7O17 761.2716 NA PeJP NA NA +PJ029288 GSSSMMY C30H47N7O12S2 761.2724 NA PeJP NA NA +PJ029289 PPVCCDE C30H47N7O12S2 761.2725 NA PeJP NA NA +PJ029290 CCKMMF C31H51N7O7S4 761.2733 NA PeJP NA NA +PJ029291 SSSCNQH C27H43N11O13S 761.2763 NA PeJP NA NA +PJ029292 CMHWW C36H43N9O6S2 761.2778 NA PeJP NA NA +PJ029293 SSDMHW C32H43N9O11S 761.2803 NA PeJP NA NA +PJ029294 SSSSEEH C28H43N9O16 761.2828 NA PeJP NA NA +MJ093499 1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl), 2,8,9-tribenzoyl, 6-Ac C44H43NO11 761.283611 NA MeJP NA NA +MJ093500 1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 1,2,9-tribenzoyl, 6-Ac C44H43NO11 761.283611 NA MeJP NA NA +PJ029295 SQEMMH C29H47N9O11S2 761.2837 NA PeJP NA NA +PJ029296 CQYYW C37H43N7O9S 761.2843 NA PeJP NA NA +PJ029297 SPDEEW C33H43N7O14 761.2868 NA PeJP NA NA +PJ029298 PPCEMW C34H47N7O9S2 761.2877 NA PeJP NA NA +PJ029299 SSSSTMY C30H47N7O14S 761.2902 NA PeJP NA NA +PJ029300 SCKMMY C31H51N7O9S3 761.2911 NA PeJP NA NA +PJ029301 CNNQHF C31H43N11O10S 761.2915 NA PeJP NA NA +PJ029302 GGGGCQHF C31H43N11O10S 761.2916 NA PeJP NA NA +PJ029303 NNDDER C27H43N11O15 761.294 NA PeJP NA NA +PJ029304 GGNDDER C27H43N11O15 761.2941 NA PeJP NA NA +PJ029305 SCEMHR C28H47N11O10S2 761.2949 NA PeJP NA NA +PJ029306 GPCNWW C36H43N9O8S 761.2956 NA PeJP NA NA +PJ029307 GNQEEW C32H43N9O13 761.2981 NA PeJP NA NA +PJ029308 GTMMHW C33H47N9O8S2 761.2989 NA PeJP NA NA +PJ029309 PDDEMR C29H47N9O13S 761.3014 NA PeJP NA NA +PJ029310 GGGGGPTEM C29H47N9O13S 761.3015 NA PeJP NA NA +PJ029311 GSSYYW C37H43N7O11 761.3021 NA PeJP NA NA +PJ029312 VNMMMH C30H51N9O8S3 761.3023 NA PeJP NA NA +PJ029313 SNMHHH C30H43N13O9S 761.3028 NA PeJP NA NA +PJ029314 GTQMYY C34H47N7O11S 761.3054 NA PeJP NA NA +PJ029315 APEEMW C34H47N7O11S 761.3055 NA PeJP NA NA +PJ029316 VQEEEE C30H47N7O16 761.308 NA PeJP NA NA +PJ029317 GPPTEMM C31H51N7O11S2 761.3088 NA PeJP NA NA +PJ029318 GNDDRW C31H43N11O12 761.3093 NA PeJP NA NA +PJ029319 PCCHFR C32H47N11O7S2 761.3102 NA PeJP NA NA +PJ029320 GSPCNER C28H47N11O12S 761.3127 NA PeJP NA NA +PJ029321 NQEWW C36H43N9O10 761.3133 NA PeJP NA NA +PJ029322 GMMMHR C29H51N11O7S3 761.3135 NA PeJP NA NA +PJ029323 STTMHW C33H47N9O10S 761.3167 NA PeJP NA NA +PJ029324 AEEEER C29H47N9O15 761.3192 NA PeJP NA NA +MJ093501 Sperm activating peptide; Sperm activating peptide E C30H51N9O10S2 761.32003 NA MeJP NA NA +PJ029325 SKEMMH C30H51N9O10S2 761.3201 NA PeJP NA NA +PJ029326 GSSTHHH C30H43N13O11 761.3205 NA PeJP NA NA +PJ029327 GGGGGSPHH C30H43N13O11 761.3206 NA PeJP NA NA +PJ029328 CKYYW C38H47N7O8S 761.3207 NA PeJP NA NA +PJ029329 GLEEEW C34H47N7O13 761.3232 NA PeJP NA NA +PJ029330 NNNNMR C27H47N13O11S 761.3239 NA PeJP NA NA +PJ029331 PPTMMW C35H51N7O8S2 761.3241 NA PeJP NA NA +PJ029332 GPEHHW C35H43N11O9 761.3246 NA PeJP NA NA +PJ029333 PKEEEM C31H51N7O13S 761.3266 NA PeJP NA NA +PJ029334 GPPVMMM C32H55N7O8S3 761.3275 NA PeJP NA NA +PJ029335 SPCNRW C32H47N11O9S 761.3279 NA PeJP NA NA +PJ029336 GQWWW C40H43N9O7 761.3286 NA PeJP NA NA +PJ029337 SNQEER C28H47N11O14 761.3304 NA PeJP NA NA +PJ029338 GGGGGGGSKE C28H47N11O14 761.3305 NA PeJP NA NA +PJ029339 STMMHR C29H51N11O9S2 761.3313 NA PeJP NA NA +PJ029340 AAMHFW C37H47N9O7S 761.332 NA PeJP NA NA +PJ029341 GNKEEW C33H47N9O12 761.3344 NA PeJP NA NA +PJ029342 GGGKEEW C33H47N9O12 761.3345 NA PeJP NA NA +PJ029343 PCKMHF C34H51N9O7S2 761.3353 NA PeJP NA NA +PJ029344 GQHHHF C34H43N13O8 761.3358 NA PeJP NA NA +PJ029345 PTEEMR C30H51N9O12S 761.3378 NA PeJP NA NA +PJ029346 LEEWW C38H47N7O10 761.3385 NA PeJP NA NA +PJ029347 PPMMMR C31H55N9O7S3 761.3387 NA PeJP NA NA +PJ029348 TCKHHH C31H47N13O8S 761.3392 NA PeJP NA NA +PJ029349 PHHWW C39H43N11O6 761.3398 NA PeJP NA NA +PJ029350 SNDDRR C27H47N13O13 761.3417 NA PeJP NA NA +PJ029351 SPLEMW C35H51N7O10S 761.3418 NA PeJP NA NA +PJ029352 GPPVDMF C35H51N7O10S 761.3419 NA PeJP NA NA +PJ029353 PCCQRR C28H51N13O8S2 761.3425 NA PeJP NA NA +PJ029354 SSPTLEE C31H51N7O15 761.3443 NA PeJP NA NA +PJ029355 VKEEEE C31H51N7O15 761.3444 NA PeJP NA NA +PJ029356 AAPLEMM C32H55N7O10S2 761.3452 NA PeJP NA NA +PJ029357 GSQERW C32H47N11O11 761.3457 NA PeJP NA NA +PJ029358 AQQEMR C29H51N11O11S 761.349 NA PeJP NA NA +PJ029359 GAAQEMR C29H51N11O11S 761.3491 NA PeJP NA NA +PJ029360 NKEWW C37H47N9O9 761.3497 NA PeJP NA NA +PJ029361 SPNKMW C34H51N9O9S 761.3531 NA PeJP NA NA +C17707 Lividomycin A C29H55N5O18 761.3542 NA KEGG NA NA +MJ093502 Lividomycin A C29H55N5O18 761.354209 NA MeJP NA NA +PJ029362 SLEEER C30H51N9O14 761.3556 NA PeJP NA NA +PJ029363 PQQKMM C31H55N9O9S2 761.3564 NA PeJP NA NA +PJ029364 PVEMMR C31H55N9O9S2 761.3565 NA PeJP NA NA +PJ029365 SPEHHR C31H47N13O10 761.3569 NA PeJP NA NA +PJ029366 PPCLFW C39H51N7O7S 761.3571 NA PeJP NA NA +PJ029367 SVLEEW C35H51N7O12 761.3596 NA PeJP NA NA +PJ029368 GNEMRR C28H51N13O10S 761.3603 NA PeJP NA NA +PJ029369 PVVMMW C36H55N7O7S2 761.3605 NA PeJP NA NA +PJ029370 SQRWW C36H47N11O8 761.3609 NA PeJP NA NA +PJ029371 GAPPHHF C36H47N11O8 761.361 NA PeJP NA NA +PJ029372 LLQEEM C32H55N7O12S 761.363 NA PeJP NA NA +PJ029373 AAQMRW C33H51N11O8S 761.3643 NA PeJP NA NA +PJ029374 GKWWW C41H47N9O6 761.365 NA PeJP NA NA +PJ029375 SNKEER C29H51N11O13 761.3668 NA PeJP NA NA +PJ029376 PCQKMR C30H55N11O8S2 761.3677 NA PeJP NA NA +PJ029377 GQQHHR C30H47N15O9 761.3682 NA PeJP NA NA +PJ029378 GDKKEW C34H51N9O11 761.3708 NA PeJP NA NA +PJ029379 GGGGAAPLY C34H51N9O11 761.3709 NA PeJP NA NA +PJ029380 GCDRRR C27H51N15O9S 761.3715 NA PeJP NA NA +PJ029381 GKHHHF C35H47N13O7 761.3722 NA PeJP NA NA +PJ029382 VVEEMR C31H55N9O11S 761.3742 NA PeJP NA NA +PJ029383 SPPLYW C39H51N7O9 761.3748 NA PeJP NA NA +PJ029384 PPVTYW C39H51N7O9 761.3749 NA PeJP NA NA +PJ029385 NMRRW C32H51N13O7S 761.3755 NA PeJP NA NA +PJ029386 GGMRRW C32H51N13O7S 761.3756 NA PeJP NA NA +PJ029387 SSQERR C28H51N13O12 761.378 NA PeJP NA NA +PJ029388 GGSTERR C28H51N13O12 761.3781 NA PeJP NA NA +PJ029389 ALLEMW C36H55N7O9S 761.3782 NA PeJP NA NA +PJ029390 PCCKRR C29H55N13O7S2 761.3789 NA PeJP NA NA +PJ029391 GTTLLEE C32H55N7O14 761.3807 NA PeJP NA NA +PJ029392 GPTLLMM C33H59N7O9S2 761.3816 NA PeJP NA NA +PJ029393 GSKERW C33H51N11O10 761.3821 NA PeJP NA NA +PJ029394 AQKEMR C30H55N11O10S 761.3854 NA PeJP NA NA +PJ029395 GGVDKMR C30H55N11O10S 761.3855 NA PeJP NA NA +PJ029396 DKKWW C38H51N9O8 761.3861 NA PeJP NA NA +PJ029397 GLQKMW C35H55N9O8S 761.3895 NA PeJP NA NA +PJ029398 SPTTTQK C31H55N9O13 761.3919 NA PeJP NA NA +PJ029399 TQKKEE C31H55N9O13 761.392 NA PeJP NA NA +PJ029400 PQKKMM C32H59N9O8S2 761.3928 NA PeJP NA NA +PJ029401 GSTRRW C32H51N13O9 761.3933 NA PeJP NA NA +PJ029402 TTLLEW C36H55N7O11 761.396 NA PeJP NA NA +PJ029403 GDKMRR C29H55N13O9S 761.3967 NA PeJP NA NA +PJ029404 SKRWW C37H51N11O7 761.3973 NA PeJP NA NA +PJ029405 SPTTLLM C33H59N7O11S 761.3993 NA PeJP NA NA +PJ029406 LLKEEM C33H59N7O11S 761.3994 NA PeJP NA NA +PJ029407 AAKMRW C34H55N11O7S 761.4007 NA PeJP NA NA +PJ029408 SDKKER C30H55N11O12 761.4032 NA PeJP NA NA +PJ029409 PCKKMR C31H59N11O7S2 761.4041 NA PeJP NA NA +PJ029410 GQKHHR C31H51N15O8 761.4045 NA PeJP NA NA +PJ029411 GGAKHHR C31H51N15O8 761.4046 NA PeJP NA NA +PJ029412 ATKKEW C35H55N9O10 761.4072 NA PeJP NA NA +PJ029413 GSMRRR C28H55N15O8S 761.4079 NA PeJP NA NA +PJ029414 HFFRR C36H51N13O6 761.4086 NA PeJP NA NA +PJ029415 TLLEMR C32H59N9O10S 761.4106 NA PeJP NA NA +PJ029416 APLLYW C40H55N7O8 761.4112 NA PeJP NA NA +PJ029417 GPPVVFF C40H55N7O8 761.4113 NA PeJP NA NA +PJ029418 SSKERR C29H55N13O11 761.4144 NA PeJP NA NA +PJ029419 SLLLMW C37H59N7O8S 761.4146 NA PeJP NA NA +PJ029420 SSTLLLE C33H59N7O13 761.4171 NA PeJP NA NA +PJ029421 AALLLMM C34H63N7O8S2 761.418 NA PeJP NA NA +PJ029422 ATTKRW C34H55N11O9 761.4184 NA PeJP NA NA +PJ029423 SSVKRW C34H55N11O9 761.4185 NA PeJP NA NA +PJ029424 AKKEMR C31H59N11O9S 761.4218 NA PeJP NA NA +PJ029425 GPKKFW C39H55N9O7 761.4225 NA PeJP NA NA +PJ029426 SSTRRR C28H55N15O10 761.4257 NA PeJP NA NA +PJ029427 GLKKMW C36H59N9O7S 761.4259 NA PeJP NA NA +PJ029428 GSTLKKE C32H59N9O12 761.4283 NA PeJP NA NA +PJ029429 TKKKEE C32H59N9O12 761.4284 NA PeJP NA NA +PJ029430 VLLMMR C33H63N9O7S2 761.4292 NA PeJP NA NA +PJ029431 GVQFRR C33H55N13O8 761.4297 NA PeJP NA NA +PJ029432 PLLKEY C37H59N7O10 761.4324 NA PeJP NA NA +PJ029433 ATKMRR C30H59N13O8S 761.4331 NA PeJP NA NA +PJ029434 ATTLLLM C34H63N7O10S 761.4357 NA PeJP NA NA +PJ029435 TTKKER C31H59N11O11 761.4396 NA PeJP NA NA +PJ029436 QFRRR C32H55N15O7 761.4409 NA PeJP NA NA +PJ029437 STLKKW C36H59N9O9 761.4436 NA PeJP NA NA +PJ029438 VKKKEM C33H63N9O9S 761.447 NA PeJP NA NA +PJ029439 ALLLFW C41H59N7O7 761.4476 NA PeJP NA NA +PJ029440 TTTKRR C30H59N13O10 761.4508 NA PeJP NA NA +PJ029441 TTTTLLL C34H63N7O12 761.4535 NA PeJP NA NA +PJ029442 APKKRY C35H59N11O8 761.4548 NA PeJP NA NA +PJ029443 GGVVKFR C35H59N11O8 761.4549 NA PeJP NA NA +PJ029444 SLKKMR C32H63N11O8S 761.4582 NA PeJP NA NA +PJ029445 SSSLLKK C33H63N9O11 761.4647 NA PeJP NA NA +PJ029446 GVKFRR C34H59N13O7 761.4661 NA PeJP NA NA +PJ029447 LLLLQY C38H63N7O9 761.4688 NA PeJP NA NA +PJ029448 GSSKKKK C32H63N11O10 761.476 NA PeJP NA NA +PJ029449 KFRRR C33H59N15O6 761.4773 NA PeJP NA NA +PJ029450 VVLLRY C37H63N9O8 761.48 NA PeJP NA NA +PJ029451 ALKKFR C36H63N11O7 761.4912 NA PeJP NA NA +PJ029452 CKKKKK C33H67N11O7S 761.4946 NA PeJP NA NA +HMDB08979 PE(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C43H72NO8P 761.499573 NA HMDB2010 NA NA +HMDB09104 PE(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C43H72NO8P 761.499573 NA HMDB2010 NA NA +HMDB09135 PE(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) C43H72NO8P 761.499573 NA HMDB2010 NA NA +HMDB09136 PE(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) C43H72NO8P 761.499573 NA HMDB2010 NA NA +HMDB09168 PE(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) C43H72NO8P 761.499573 NA HMDB2010 NA NA +HMDB09169 PE(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) C43H72NO8P 761.499573 NA HMDB2010 NA NA +HMDB09199 PE(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)) C43H72NO8P 761.499573 NA HMDB2010 NA NA +HMDB09200 PE(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) C43H72NO8P 761.499573 NA HMDB2010 NA NA +HMDB09327 PE(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)) C43H72NO8P 761.499573 NA HMDB2010 NA NA +HMDB09360 PE(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) C43H72NO8P 761.499573 NA HMDB2010 NA NA +HMDB09391 PE(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)) C43H72NO8P 761.499573 NA HMDB2010 NA NA +HMDB09392 PE(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) C43H72NO8P 761.499573 NA HMDB2010 NA NA +HMDB09424 PE(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)) C43H72NO8P 761.499573 NA HMDB2010 NA NA +HMDB09425 PE(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) C43H72NO8P 761.499573 NA HMDB2010 NA NA +HMDB09456 PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)) C43H72NO8P 761.499573 NA HMDB2010 NA NA +HMDB09683 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) C43H72NO8P 761.499573 NA HMDB2010 NA NA +PJ029453 LLLLKY C39H67N7O8 761.5051 NA PeJP NA NA +PJ029454 PPPLLLL C39H67N7O8 761.5052 NA PeJP NA NA +PJ029455 VLKKKF C38H67N9O7 761.5164 NA PeJP NA NA +HMDB12357 PS(16:0/18:1(9Z)) C40H76NO10P 761.520691 NA HMDB2010 NA NA +HMDB12367 PS(16:1(9Z)/18:0) C40H76NO10P 761.520691 NA HMDB2010 NA NA +HMDB12377 PS(18:0/16:1(9Z)) C40H76NO10P 761.520691 NA HMDB2010 NA NA +HMDB12387 PS(18:1(9Z)/16:0) C40H76NO10P 761.520691 NA HMDB2010 NA NA +C13880 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine C40H76NO10P 761.5207 NA KEGG NA NA +7058 DP1 KLAKLAKKLAKLAK 761.524 MH2+ Inhouse_peptide NA peptide +EUR1073 SM(d18:1/16:1) [M-H+acetate]- C39H78N2O6P 761.580851 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1073 SM(d18:1/16:1) [M-H+acetate]- C39H78N2O6P 761.580851 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1073 SM(d18:1/16:1) [M-H+acetate]- C39H78N2O6P 761.580851 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1073 SM(d18:1/16:1) [M-H+acetate]- C39H78N2O6P 761.580851 masses lipides attendues Inhousejuil11 NA NA +HMDB00436 1-Stearoyl-2-palmitoylphosphatidylcholine C42H84NO8P 761.59344 http://www.hmdb.ca/metabolites/HMDB00436 HMDB NA NA +HMDB00436 1-Stearoyl-2-palmitoylphosphatidylcholine C42H84NO8P 761.59344 HMDB00436 PFEM_hmdb_metabocards_official NA NA +HMDB07878 PC(14:0/20:0) C42H84NO8P 761.593445 NA HMDB2010 NA NA +HMDB07970 PC(16:0/18:0) C42H84NO8P 761.593445 NA HMDB2010 NA NA +HMDB08034 PC(18:0/16:0) C42H84NO8P 761.593445 NA HMDB2010 NA NA +HMDB08262 PC(20:0/14:0) C42H84NO8P 761.593445 NA HMDB2010 NA NA +HMDB08907 PE(15:0/22:0) C42H84NO8P 761.593445 NA HMDB2010 NA NA +HMDB09483 PE(22:0/15:0) C42H84NO8P 761.593445 NA HMDB2010 NA NA +MJ093503 Asteriacerebroside E C42H83NO10 761.601697 NA MeJP NA NA +MJ093504 Hydroxyhexaphlorethol C36H26O19 762.106828 NA MeJP NA NA +PJ029456 CCCCCND C23H38N8O11S5 762.1264 NA PeJP NA NA +MJ093505 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) C37H30O18 762.143214 NA MeJP NA NA +MJ093506 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'-O-(3,4,5-Trihydroxybenzoyl) C37H30O18 762.143214 NA MeJP NA NA +MJ093507 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'-(3,4,5-Trihydroxybenzoyl) C37H30O18 762.143214 NA MeJP NA NA +MJ093508 3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 5'',5'''-Dihydroxy, 3'-(3,4,5-trihydroxybenzoyl) C37H30O18 762.143214 NA MeJP NA NA +MJ093509 Theasinensin C; 3-O-(3,4,5-Trihydroxybenzoyl) C37H30O18 762.143214 NA MeJP NA NA +MJ093510 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-[3,4,5-trihydroxybenzoyl-(??)]-?-D-glucopyranoside] C37H31O18(+) 762.143214 NA MeJP NA NA +PJ029457 SCCCCNM C24H42N8O10S5 762.1628 NA PeJP NA NA +FL5FACGS0099 Quercetin 3-(2''-galoylrutinoside);3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C34H34O20 762.16434 175032-96-9 knapsack NA NA +MJ093511 Rutin; 2'''-O-(3,4,5-Trihydroxybenzoyl) C34H34O20 762.164343 NA MeJP NA NA +PJ029458 GSSTCCCC C24H42N8O12S4 762.1805 NA PeJP NA NA +PJ029459 GCCCCQF C28H42N8O9S4 762.1958 NA PeJP NA NA +PJ029460 SSSSSCCC C24H42N8O14S3 762.1983 NA PeJP NA NA +PJ029461 TCCCCCK C25H46N8O9S5 762.1992 NA PeJP NA NA +PJ029462 CCDEMY C29H42N6O12S3 762.2023 NA PeJP NA NA +PJ029463 GCCNDDH C26H38N10O13S2 762.2062 NA PeJP NA NA +MJ093512 Ulithiacyclamide C32H42N8O6S4 762.211013 NA MeJP NA NA +PJ029464 GSCCCQY C28H42N8O11S3 762.2135 NA PeJP NA NA +PJ029465 GGGTCCCY C28H42N8O11S3 762.2136 NA PeJP NA NA +PJ029466 CCEMMF C30H46N6O9S4 762.2209 NA PeJP NA NA +PJ029467 SPCCCNH C27H42N10O10S3 762.2248 NA PeJP NA NA +PJ029468 SSSCCNY C28H42N8O13S2 762.2313 NA PeJP NA NA +PJ029469 GCCCCKF C29H46N8O8S4 762.2322 NA PeJP NA NA +PJ029470 PCCDYY C33H42N6O11S2 762.2353 NA PeJP NA NA +PJ029471 SCEMMY C30H46N6O11S3 762.2387 NA PeJP NA NA +PJ029472 GNNNDDD C26H38N10O17 762.2417 NA PeJP NA NA +PJ029473 GSCNDMH C27H42N10O12S2 762.2425 NA PeJP NA NA +PJ029474 GGGSCDMH C27H42N10O12S2 762.2426 NA PeJP NA NA +PJ029475 DDDDHF C31H38N8O15 762.2457 NA PeJP NA NA +PJ029476 CCNNFY C32H42N8O10S2 762.2466 NA PeJP NA NA +PJ029477 GPNDDDM C28H42N8O15S 762.2491 NA PeJP NA NA +PJ029478 GSCCCKY C29H46N8O10S3 762.2499 NA PeJP NA NA +PJ029479 CDDHHH C29H38N12O11S 762.2504 NA PeJP NA NA +PJ029480 GDDMYY C33H42N6O13S 762.2531 NA PeJP NA NA +PJ029481 PCCMFY C34H46N6O8S3 762.254 NA PeJP NA NA +PJ029482 GMMMMY C31H50N6O8S4 762.2573 NA PeJP NA NA +PJ029483 SCCQHW C31H42N10O9S2 762.2578 NA PeJP NA NA +MJ093513 Tricoloroside C33H46O20 762.258243 NA MeJP NA NA +PJ029484 SSSCNEH C27H42N10O14S 762.2603 NA PeJP NA NA +PJ029485 CNQMMH C28H46N10O9S3 762.2612 NA PeJP NA NA +PJ029486 PCNDEW C32H42N8O12S 762.2643 NA PeJP NA NA +PJ029487 NNEEEE C28H42N8O17 762.2668 NA PeJP NA NA +PJ029488 SEEMMH C29H46N8O12S2 762.2677 NA PeJP NA NA +PJ029489 CEYYW C37H42N6O10S 762.2683 NA PeJP NA NA +PJ029490 SSDEYY C33H42N6O15 762.2708 NA PeJP NA NA +PJ029491 GCNNNNQ C26H42N12O13S 762.2715 NA PeJP NA NA +PJ029492 GGGGGGGCNQ C26H42N12O13S 762.2716 NA PeJP NA NA +PJ029493 SPCMYY C34H46N6O10S2 762.2717 NA PeJP NA NA +PJ029494 CCNMHR C27H46N12O8S3 762.2724 NA PeJP NA NA +MJ093514 1,2,3,4,6,8,9,13,14-Nonahydroxydihydro-?-agarofuran, 8-Ketone, 13-benzoyl, 3-(2-methylbutanoyl), 1,2,6,9,14-penta-Ac C37H46O17 762.2735 NA MeJP NA NA +MJ093515 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-[4-hydroxy-3,5-dimethoxybenzoyl-(?2)-?-D-glucopyranoside] C37H46O17 762.2735 NA MeJP NA NA +PJ029495 PEEEEM C30H46N6O15S 762.2742 NA PeJP NA NA +PJ029496 STMMMY C31H50N6O10S3 762.2751 NA PeJP NA NA +PJ029497 GSSSCHW C31H42N10O11S 762.2755 NA PeJP NA NA +PJ029498 CNNEHF C31H42N10O11S 762.2756 NA PeJP NA NA +PJ029499 GSNNDQE C27H42N10O16 762.278 NA PeJP NA NA +PJ029500 NDDDER C27H42N10O16 762.2781 NA PeJP NA NA +PJ029501 GSSNMMH C28H46N10O11S2 762.2789 NA PeJP NA NA +PJ029502 GGGGGGAPCM C28H46N10O11S2 762.279 NA PeJP NA NA +PJ029503 GPCDWW C36H42N8O9S 762.2796 NA PeJP NA NA +PJ029504 GNEEEW C32H42N8O14 762.2821 NA PeJP NA NA +PJ029505 GPPTCCW C33H46N8O9S2 762.2829 NA PeJP NA NA +PJ029506 PCEMHF C33H46N8O9S2 762.283 NA PeJP NA NA +PJ029507 SPVCNDE C29H46N8O14S 762.2854 NA PeJP NA NA +MJ093516 Cephabacin F; Cephabacin F7, N27-L-Seryl C29H46N8O14S 762.285418 NA MeJP NA NA +PJ029508 GSPNEEM C29H46N8O14S 762.2855 NA PeJP NA NA +PJ029509 GDDFFY C37H42N6O12 762.2861 NA PeJP NA NA +PJ029510 VDMMMH C30H50N8O9S3 762.2863 NA PeJP NA NA +PJ029511 SDMHHH C30H42N12O10S 762.2868 NA PeJP NA NA +PJ029512 PCCFFF C38H46N6O7S2 762.287 NA PeJP NA NA +PJ029513 SSNNNNN C26H42N12O15 762.2893 NA PeJP NA NA +PJ029514 GTEMYY C34H46N6O12S 762.2895 NA PeJP NA NA +PJ029515 GSTCCHR C27H46N12O10S2 762.2902 NA PeJP NA NA +PJ029516 GMMMFF C35H50N6O7S3 762.2903 NA PeJP NA NA +PJ029517 GCNHFW C35H42N10O8S 762.2908 NA PeJP NA NA +PJ029518 VEEEEE C30H46N6O17 762.292 NA PeJP NA NA +PJ029519 GDDDRW C31H42N10O13 762.2933 NA PeJP NA NA +PJ029520 SCCKHW C32H46N10O8S2 762.2942 NA PeJP NA NA +PJ029521 GSPCDER C28H46N10O13S 762.2967 NA PeJP NA NA +PJ029522 NEEWW C36H42N8O11 762.2973 NA PeJP NA NA +PJ029523 GPPCCMR C29H50N10O8S3 762.2976 NA PeJP NA NA +MJ093517 Patellamide C C37H46N8O6S2 762.298172 NA MeJP NA NA +MJ093518 Patellamide F C37H46N8O6S2 762.298172 NA MeJP NA NA +C15735 Patellamide C C37H46N8O6S2 762.2982 NA KEGG NA NA +PJ029524 SPNEMW C33H46N8O11S 762.3007 NA PeJP NA NA +PJ029525 NDKEEE C29H46N8O16 762.3032 NA PeJP NA NA +PJ029526 PQQEMM C30H50N8O11S2 762.3041 NA PeJP NA NA +PJ029527 GSPNDHH C30H42N12O12 762.3045 NA PeJP NA NA +PJ029528 GGGSPDHH C30H42N12O12 762.3046 NA PeJP NA NA +PJ029529 TMYYW C38H46N6O9S 762.3047 NA PeJP NA NA +PJ029530 AMMHHH C31H46N12O7S2 762.3054 NA PeJP NA NA +MJ093519 Methanofuran b C34H46N6O14 762.3072 NA MeJP NA NA +PJ029531 STTEYY C34H46N6O14 762.3072 NA PeJP NA NA +PJ029532 SSSSCHR C27H46N12O12S 762.3079 NA PeJP NA NA +PJ029533 GGGGGGGGGCK C27H46N12O12S 762.308 NA PeJP NA NA +PJ029534 GVMMYY C35H50N6O9S2 762.3081 NA PeJP NA NA +PJ029535 GSNNWW C35H42N10O10 762.3086 NA PeJP NA NA +MJ093520 7,11,12,20-Tetrahydroxy-8,11,13-abietatrien-3-one, 7,20-Di-Ac, 12-O-(tetra-O-acetyl-?-D-glucopyranoside) C38H50O16 762.309885 NA MeJP NA NA +MJ093521 Hispidin A; 12,15-Dideacyl, 12-(2-oxo-3-methylpentanoyl), 15-Ac C38H50O16 762.309885 NA MeJP NA NA +MJ093522 Prieurianin C38H50O16 762.309885 NA MeJP NA NA +PJ029536 SPCDRW C32H46N10O10S 762.3119 NA PeJP NA NA +PJ029537 GGGGAQMW C32H46N10O10S 762.312 NA PeJP NA NA +PJ029538 GEWWW C40H42N8O8 762.3126 NA PeJP NA NA +PJ029539 SNEEER C28H46N10O15 762.3144 NA PeJP NA NA +PJ029540 GGSEEER C28H46N10O15 762.3145 NA PeJP NA NA +PJ029541 PNDMMR C29H50N10O10S2 762.3153 NA PeJP NA NA +PJ029542 NNNQHH C29H42N14O11 762.3158 NA PeJP NA NA +PJ029543 GSPMWW C37H46N8O8S 762.316 NA PeJP NA NA +PJ029544 GDKEEW C33H46N8O13 762.3185 NA PeJP NA NA +PJ029545 APQMMW C34H50N8O8S2 762.3193 NA PeJP NA NA +PJ029546 GEHHHF C34H42N12O9 762.3198 NA PeJP NA NA +PJ029547 VQQEEM C30H50N8O13S 762.3218 NA PeJP NA NA +PJ029548 GGGALEEM C30H50N8O13S 762.3219 NA PeJP NA NA +PJ029549 GPTYYY C38H46N6O11 762.3225 NA PeJP NA NA +PJ029550 TLMMMH C31H54N8O8S3 762.3227 NA PeJP NA NA +PJ029551 GCNQRW C31H46N12O9S 762.3232 NA PeJP NA NA +PJ029552 SDDDRR C27H46N12O14 762.3257 NA PeJP NA NA +PJ029553 SSLMYY C35H50N6O11S 762.3258 NA PeJP NA NA +PJ029554 PCCERR C28H50N12O9S2 762.3266 NA PeJP NA NA +PJ029555 WWWW C44H42N8O5 762.3278 NA PeJP NA NA +PJ029556 GSEERW C32H46N10O12 762.3297 NA PeJP NA NA +PJ029557 APCMRW C33H50N10O7S2 762.3306 NA PeJP NA NA +PJ029558 AQEEMR C29H50N10O12S 762.3331 NA PeJP NA NA +PJ029559 DKEWW C37H46N8O10 762.3337 NA PeJP NA NA +PJ029560 PCNHHR C30H46N14O8S 762.3344 NA PeJP NA NA +PJ029561 HHHFW C38H42N12O6 762.3351 NA PeJP NA NA +PJ029562 GLQEMW C34H50N8O10S 762.3371 NA PeJP NA NA +PJ029563 TFFYW C42H46N6O8 762.3377 NA PeJP NA NA +PJ029564 TQKEEE C30H50N8O15 762.3396 NA PeJP NA NA +PJ029565 PQKEMM C31H54N8O10S2 762.3405 NA PeJP NA NA +PJ029566 SSNNRW C31H46N12O11 762.3409 NA PeJP NA NA +PJ029567 GGGGLEHH C31H46N12O11 762.341 NA PeJP NA NA +PJ029568 GVMFFY C39H50N6O8S 762.3411 NA PeJP NA NA +PJ029569 PLEEEF C35H50N6O13 762.3436 NA PeJP NA NA +PJ029570 GDEMRR C28H50N12O11S 762.3443 NA PeJP NA NA +PJ029571 SERWW C36H46N10O9 762.3449 NA PeJP NA NA +PJ029572 GQQHFF C36H46N10O9 762.345 NA PeJP NA NA +PJ029573 LLEEEM C32H54N6O13S 762.347 NA PeJP NA NA +MJ093523 Ophioxanthol; 7',8'-Didehydro, 4,4'-disulfate C40H58O10S2 762.347139 NA MeJP NA NA +PJ029574 AAEMRW C33H50N10O9S 762.3483 NA PeJP NA NA +PJ029575 SVWWW C41H46N8O7 762.349 NA PeJP NA NA +PJ029576 SDKEER C29H50N10O14 762.3508 NA PeJP NA NA +PJ029577 PTQMMR C30H54N10O9S2 762.3517 NA PeJP NA NA +PJ029578 GQEHHR C30H46N14O10 762.3522 NA PeJP NA NA +PJ029579 LQMWW C38H50N8O7S 762.3523 NA PeJP NA NA +PJ029580 GALMWW C38H50N8O7S 762.3524 NA PeJP NA NA +PJ029581 ATKEEW C34H50N8O12 762.3548 NA PeJP NA NA +PJ029582 GAPLNEY C34H50N8O12 762.3549 NA PeJP NA NA +PJ029583 SCNQRR C27H50N14O10S 762.3555 NA PeJP NA NA +PJ029584 GGGGTCRR C27H50N14O10S 762.3556 NA PeJP NA NA +PJ029585 APKMMW C35H54N8O7S2 762.3557 NA PeJP NA NA +PJ029586 GVQHHW C35H46N12O8 762.3562 NA PeJP NA NA +PJ029587 VQKEEM C31H54N8O12S 762.3582 NA PeJP NA NA +PJ029588 AALYYY C39H50N6O10 762.3589 NA PeJP NA NA +PJ029589 DMRRW C32H50N12O8S 762.3596 NA PeJP NA NA +PJ029590 ASSSQQR C28H50N12O13 762.362 NA PeJP NA NA +3269 NA QVTSTEV 762.362 celiac toxic Inhouse_peptide NA peptide +PJ029591 SSEERR C28H50N12O13 762.3621 NA PeJP NA NA +PJ029592 PTCMRR C29H54N12O8S2 762.3629 NA PeJP NA NA +PJ029593 CLRWW C37H50N10O6S 762.3636 NA PeJP NA NA +PJ029594 ATTERW C33H50N10O11 762.3661 NA PeJP NA NA +PJ029595 QHHRW C34H46N14O7 762.3674 NA PeJP NA NA +PJ029596 SLQEMR C30H54N10O11S 762.3694 NA PeJP NA NA +PJ029597 AKEEMR C30H54N10O11S 762.3695 NA PeJP NA NA +PJ029598 GTTLWW C38H50N8O9 762.3701 NA PeJP NA NA +PJ029599 GSSSNRR C27H50N14O12 762.3733 NA PeJP NA NA +PJ029600 GLKEMW C35H54N8O9S 762.3735 NA PeJP NA NA +PJ029601 GVFFFF C43H50N6O7 762.3741 NA PeJP NA NA +PJ029602 TKKEEE C31H54N8O14 762.376 NA PeJP NA NA +PJ029603 ASPVKMM C32H58N8O9S2 762.3768 NA PeJP NA NA +PJ029604 PKKEMM C32H58N8O9S2 762.3769 NA PeJP NA NA +PJ029605 GPDRRY C32H50N12O10 762.3773 NA PeJP NA NA +PJ029606 PLLEEY C36H54N6O12 762.38 NA PeJP NA NA +PJ029607 ATEMRR C29H54N12O10S 762.3807 NA PeJP NA NA +PJ029608 AAPRYW C37H50N10O8 762.3813 NA PeJP NA NA +PJ029609 GGAKHFF C37H50N10O8 762.3814 NA PeJP NA NA +PJ029610 GTLMRW C34H54N10O8S 762.3847 NA PeJP NA NA +PJ029611 PKFWW C42H50N8O6 762.3854 NA PeJP NA NA +PJ029612 TTKEER C30H54N10O13 762.3872 NA PeJP NA NA +PJ029613 PTKMMR C31H58N10O8S2 762.3881 NA PeJP NA NA +PJ029614 GNNFRR C31H50N14O9 762.3886 NA PeJP NA NA +PJ029615 LKMWW C39H54N8O6S 762.3887 NA PeJP NA NA +PJ029616 STLKEW C35H54N8O11 762.3912 NA PeJP NA NA +PJ029617 GGGALLEF C35H54N8O11 762.3913 NA PeJP NA NA +PJ029618 SCNKRR C28H54N14O9S 762.3919 NA PeJP NA NA +PJ029619 APPHRW C36H50N12O7 762.3926 NA PeJP NA NA +PJ029620 VKKEEM C32H58N8O11S 762.3946 NA PeJP NA NA +PJ029621 GPMFRR C33H54N12O7S 762.396 NA PeJP NA NA +PJ029622 TTTERR C29H54N12O12 762.3984 NA PeJP NA NA +PJ029623 GGASSTKR C29H54N12O12 762.3985 NA PeJP NA NA +MJ093524 10-Methoxy-11-[10-(11-methoxyvincamajinyl)]cathafoline C45H54N4O7 762.39925 NA MeJP NA NA +MJ093525 11-[10-(11-Methoxyvincamajinyl)]vincorine C45H54N4O7 762.39925 NA MeJP NA NA +PJ029624 GLMMRR C30H58N12O7S2 762.3993 NA PeJP NA NA +PJ029625 GTHHRR C30H50N16O8 762.3998 NA PeJP NA NA +PJ029626 STTLRW C34H54N10O10 762.4025 NA PeJP NA NA +MJ093526 Sucrose; 1',2,3',4',6'-Pentakis(3-methylbutanoyl) C37H62O16 762.403785 NA MeJP NA NA +MJ093527 Sucrose; 1',2,3',6'-Tetrakis(3-methylbutanoyl), 4'-(2S-methylbutanoyl) C37H62O16 762.403785 NA MeJP NA NA +MJ093528 Sucrose; 2,3',4',6'-Tetrakis(3-methylbutanoyl), 1'-(2S-methylbutanoyl) C37H62O16 762.403785 NA MeJP NA NA +PJ029627 KHHRW C35H50N14O6 762.4038 NA PeJP NA NA +PJ029628 SLKEMR C31H58N10O10S 762.4058 NA PeJP NA NA +PJ029629 GGDKKKM C31H58N10O10S 762.4059 NA PeJP NA NA +PJ029630 GPLKYW C39H54N8O8 762.4065 NA PeJP NA NA +PJ029631 SVLKMW C36H58N8O8S 762.4099 NA PeJP NA NA +2932 NA CPTATATALAPRGGSRV 762.4105 MH2+ Inhouse_peptide NA peptide +PJ029632 STTTLLQ C32H58N8O13 762.4123 NA PeJP NA NA +PJ029633 SSSLLKE C32H58N8O13 762.4124 NA PeJP NA NA +PJ029634 LLQKMM C33H62N8O8S2 762.4132 NA PeJP NA NA +PJ029635 APTRRY C33H54N12O9 762.4137 NA PeJP NA NA +PJ029636 LLLEEF C37H58N6O11 762.4164 NA PeJP NA NA +PJ029637 STLMRR C30H58N12O9S 762.4171 NA PeJP NA NA +PJ029638 AALFRW C38H54N10O7 762.4177 NA PeJP NA NA +MJ093529 20,24-Epoxy-3,16-dihydroxycucurbita-5,23-diene-11,22-dione, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside] C41H62O13 762.419042 NA MeJP NA NA +PJ029639 ACKKKW C35H58N10O7S 762.4211 NA PeJP NA NA +PJ029640 SSSTLLR C31H58N10O12 762.4236 NA PeJP NA NA +PJ029641 VVKMMR C32H62N10O7S2 762.4245 NA PeJP NA NA +PJ029642 EFRRR C32H54N14O8 762.4249 NA PeJP NA NA +PJ029643 PVKKEY C36H58N8O10 762.4276 NA PeJP NA NA +PJ029644 VFRRW C37H54N12O6 762.429 NA PeJP NA NA +PJ029645 GTTLLKM C33H62N8O10S 762.431 NA PeJP NA NA +PJ029646 GSSTKKR C30H58N12O11 762.4348 NA PeJP NA NA +MJ093530 Methionylvalylphenylalanylisoleucylleucylleucineyl C38H62N6O8S 762.434983 NA MeJP NA NA +MJ093531 Tabernaelegantinine A C46H58N4O6 762.435635 NA MeJP NA NA +MJ093532 Tabernaelegantinine B C46H58N4O6 762.435635 NA MeJP NA NA +PJ029647 SSKKKW C35H58N10O9 762.4388 NA PeJP NA NA +PJ029648 SPLKRY C35H58N10O9 762.4389 NA PeJP NA NA +PJ029649 TQKKKM C32H62N10O9S 762.4422 NA PeJP NA NA +PJ029650 GLLKFW C40H58N8O7 762.4429 NA PeJP NA NA +PJ029651 PLKKMF C37H62N8O7S 762.4463 NA PeJP NA NA +2993 kinases inhibitor KKALRRQEVVDAL 762.44745 MH2+ Inhouse_peptide NA peptide +PJ029652 STTTLLK C33H62N8O12 762.4487 NA PeJP NA NA +PJ029653 LLKKMM C34H66N8O7S2 762.4496 NA PeJP NA NA +PJ029654 GVLRRY C34H58N12O8 762.4501 NA PeJP NA NA +PJ029655 LLLLEY C38H62N6O10 762.4528 NA PeJP NA NA +PJ029656 TCKKKR C31H62N12O8S 762.4535 NA PeJP NA NA +MJ093533 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-O-[?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C42H66O12 762.455427 NA MeJP NA NA +MJ093534 Xestovanin A; 10,27-Didehydro C42H66O12 762.455427 NA MeJP NA NA +PJ029657 GTTTKKK C32H62N10O11 762.46 NA PeJP NA NA +PJ029658 LRRRY C33H58N14O7 762.4613 NA PeJP NA NA +PJ029659 VLLQKY C37H62N8O9 762.464 NA PeJP NA NA +MJ093535 14-Serratene-3,21-diol, 21-Ac, 3-O-[4-hydroxycinnamoyl-(?4)-?-L-arabinopyranoside] C46H66O9 762.470683 NA MeJP NA NA +PJ029660 ALLKRY C36H62N10O8 762.4752 NA PeJP NA NA +PJ029661 PPPVVVR C36H62N10O8 762.4753 NA PeJP NA NA +PJ029662 TKKKKM C33H66N10O8S 762.4786 NA PeJP NA NA +PJ029663 GKKKFR C35H62N12O7 762.4865 NA PeJP NA NA +MJ093536 Erythromycin; 9-Methyl oxime C38H70N2O13 762.48779 NA MeJP NA NA +MJ093537 Narasin A; 20-Ketone C43H70O11 762.491813 NA MeJP NA NA +PJ029664 VLLKKY C38H66N8O8 762.5004 NA PeJP NA NA +MJ093538 Yendolipin C48H78N2O5 762.591073 NA MeJP NA NA +HMDB07616 DG(22:0/24:1(15Z)/0:0) C49H94O5 762.710144 NA HMDB2010 NA NA +HMDB07644 DG(22:1(13Z)/24:0/0:0) C49H94O5 762.710144 NA HMDB2010 NA NA +HMDB07812 DG(24:0/22:1(13Z)/0:0) C49H94O5 762.710144 NA HMDB2010 NA NA +HMDB07840 DG(24:1(15Z)/22:0/0:0) C49H94O5 762.710144 NA HMDB2010 NA NA +MJ093539 20(29)-Lupen-3-ol, Tricosanoyl C53H94O2 762.725382 NA MeJP NA NA +MJ093540 Iotrizoic acid C18H24I3NO8 762.863597 NA MeJP NA NA +C04899 (6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine C21H32N7O18P3 763.1017 NA KEGG NA NA +PJ029665 CCCCCDD C23H37N7O12S5 763.1104 NA PeJP NA NA +PJ029666 SCCCCDM C24H41N7O11S5 763.1468 NA PeJP NA NA +PJ029667 ACCCCMM C25H45N7O8S6 763.1654 NA PeJP NA NA +PJ029668 GCCCCEF C28H41N7O10S4 763.1798 NA PeJP NA NA +PJ029669 SSCCCMM C25H45N7O10S5 763.1832 NA PeJP NA NA +PJ029670 GCCDDDH C26H37N9O14S2 763.1902 NA PeJP NA NA +PJ029671 CCCCFW C32H41N7O7S4 763.1951 NA PeJP NA NA +PJ029672 GSCCCEY C28H41N7O12S3 763.1976 NA PeJP NA NA +C11245 Glucuronosyletoposide C35H39O19 763.2086 NA KEGG NA NA +PJ029673 SPCCCDH C27H41N9O11S3 763.2088 NA PeJP NA NA +PJ029674 SCCCYW C32H41N7O9S3 763.2128 NA PeJP NA NA +PJ029675 SSSCCDY C28H41N7O14S2 763.2153 NA PeJP NA NA +PJ029676 CCNMMY C29H45N7O9S4 763.2162 NA PeJP NA NA +PJ029677 GCCCNQH C26H41N11O10S3 763.22 NA PeJP NA NA +PJ029678 GGGGACCCH C26H41N11O10S3 763.2201 NA PeJP NA NA +PJ029679 GNNDDDD C26H37N9O18 763.2257 NA PeJP NA NA +PJ029680 GSCDDMH C27H41N9O13S2 763.2266 NA PeJP NA NA +PJ029681 APCCCMH C28H45N9O8S4 763.2274 NA PeJP NA NA +PJ029682 CCNDFY C32H41N7O11S2 763.2306 NA PeJP NA NA +PJ029683 GPDDDDM C28H41N7O16S 763.2331 NA PeJP NA NA +PJ029684 GSTCCMY C29H45N7O11S3 763.2339 NA PeJP NA NA +PJ029685 SSCCNNH C26H41N11O12S2 763.2378 NA PeJP NA NA +PJ029686 SCCEHW C31H41N9O10S2 763.2418 NA PeJP NA NA +PJ029687 SSSCDEH C27H41N9O15S 763.2443 NA PeJP NA NA +PJ029688 CNEMMH C28H45N9O10S3 763.2452 NA PeJP NA NA +MJ093541 Antibiotic SF 2575; 12a-O-De-Me C39H41NO15 763.247619 NA MeJP NA NA +PJ029689 PCDDEW C32H41N7O13S 763.2483 NA PeJP NA NA +PJ029690 CCNMFF C33H45N7O8S3 763.2492 NA PeJP NA NA +PJ029691 NDEEEE C28H41N7O18 763.2508 NA PeJP NA NA +PJ029692 SSSSCMY C29H45N7O13S2 763.2517 NA PeJP NA NA +PJ029693 GCNNNNE C26H41N11O14S 763.2555 NA PeJP NA NA +PJ029694 GGGCNNNE C26H41N11O14S 763.2556 NA PeJP NA NA +PJ029695 CCDMHR C27H45N11O9S3 763.2564 NA PeJP NA NA +PJ029696 CNDEHF C31H41N9O12S 763.2596 NA PeJP NA NA +PJ029697 GCMMHW C32H45N9O7S3 763.2604 NA PeJP NA NA +PJ029698 DDDDER C27H41N9O17 763.2621 NA PeJP NA NA +PJ029699 GSSDMMH C28H45N9O12S2 763.2629 NA PeJP NA NA +PJ029700 GGGPCNEM C28H45N9O12S2 763.263 NA PeJP NA NA +PJ029701 CCQHHH C29H41N13O8S2 763.2643 NA PeJP NA NA +PJ029702 GDEEEW C32H41N7O15 763.2661 NA PeJP NA NA +PJ029703 ACNMYY C33H45N7O10S2 763.2669 NA PeJP NA NA +PJ029704 GCQMYY C33H45N7O10S2 763.267 NA PeJP NA NA +MJ093542 Perdeacyleuojaponin; 1,2,8,9,14-Penta-Ac C36H45NO17 763.268749 NA MeJP NA NA +MJ093543 Perdeacyleuojaponin; 8-Epimer, 1,2,6,9,14-penta-Ac C36H45NO17 763.268749 NA MeJP NA NA +MJ093544 Perdeacylhypoglaunine; 23-Deoxy, 1,6,8,9,14-penta-Ac C36H45NO17 763.268749 NA MeJP NA NA +MJ093545 Perdeacylhypoglaunine; 23-Deoxy, 2,6,8,9,14-penta-Ac C36H45NO17 763.268749 NA MeJP NA NA +PJ029705 GSPDEEM C29H45N7O15S 763.2695 NA PeJP NA NA +PJ029706 GPPCEMM C30H49N7O10S3 763.2703 NA PeJP NA NA +PJ029707 CNNNNW C30H41N11O11S 763.2708 NA PeJP NA NA +PJ029708 SSNNNND C26H41N11O16 763.2733 NA PeJP NA NA +PJ029709 GPCCNDR C27H45N11O11S2 763.2742 NA PeJP NA NA +PJ029710 GCDHFW C35H41N9O9S 763.2748 NA PeJP NA NA +PJ029711 SNNDEW C31H41N9O14 763.2773 NA PeJP NA NA +PJ029712 STCMHW C32H45N9O9S2 763.2782 NA PeJP NA NA +PJ029713 SSSSEMH C28H45N9O14S 763.2807 NA PeJP NA NA +PJ029714 DEEWW C36H41N7O12 763.2814 NA PeJP NA NA +PJ029715 SQMMMH C29H49N9O9S3 763.2816 NA PeJP NA NA +PJ029716 GSSCHHH C29H41N13O10S 763.282 NA PeJP NA NA +PJ029717 SPDEMW C33H45N7O12S 763.2847 NA PeJP NA NA +PJ029718 PPCMMW C34H49N7O7S3 763.2856 NA PeJP NA NA +PJ029719 TQEEEE C29H45N7O17 763.2872 NA PeJP NA NA +PJ029720 PQEEMM C30H49N7O12S2 763.2881 NA PeJP NA NA +PJ029721 GSPDDHH C30H41N11O13 763.2886 NA PeJP NA NA +PJ029722 APPCCHH C31H45N11O8S2 763.2894 NA PeJP NA NA +PJ029723 NNDDMR C27H45N11O13S 763.2919 NA PeJP NA NA +PJ029724 GGGGDDMR C27H45N11O13S 763.292 NA PeJP NA NA +PJ029725 GSNDWW C35H41N9O11 763.2926 NA PeJP NA NA +PJ029726 SCMMHR C28H49N11O8S3 763.2928 NA PeJP NA NA +PJ029727 ANNEMW C32H45N9O11S 763.2959 NA PeJP NA NA +PJ029728 GNQEMW C32H45N9O11S 763.296 NA PeJP NA NA +PJ029729 ASSNQEE C28H45N9O16 763.2984 NA PeJP NA NA +PJ029730 SDEEER C28H45N9O16 763.2985 NA PeJP NA NA +PJ029731 PDDMMR C29H49N9O11S2 763.2993 NA PeJP NA NA +PJ029732 NNNEHH C29H41N13O12 763.2998 NA PeJP NA NA +PJ029733 PPCDFW C37H45N7O9S 763.3 NA PeJP NA NA +PJ029734 CCKHHH C30H45N13O7S2 763.3007 NA PeJP NA NA +PJ029735 ATEEEW C33H45N7O14 763.3025 NA PeJP NA NA +PJ029736 GSCNNNR C26H45N13O12S 763.3032 NA PeJP NA NA +PJ029737 APEMMW C34H49N7O9S2 763.3033 NA PeJP NA NA +PJ029738 PVCEMW C34H49N7O9S2 763.3034 NA PeJP NA NA +PJ029739 ASPTEEM C30H49N7O14S 763.3058 NA PeJP NA NA +PJ029740 VQEEEM C30H49N7O14S 763.3059 NA PeJP NA NA +PJ029741 GPPTMMM C31H53N7O9S3 763.3067 NA PeJP NA NA +PJ029742 GCNERW C31H45N11O10S 763.3072 NA PeJP NA NA +PJ029743 GSSNDER C27H45N11O15 763.3097 NA PeJP NA NA +PJ029744 GSPCNMR C28H49N11O10S2 763.3106 NA PeJP NA NA +PJ029745 NQMWW C36H45N9O8S 763.3112 NA PeJP NA NA +PJ029746 SSQQEW C32H45N9O13 763.3137 NA PeJP NA NA +PJ029747 PCCQKW C33H49N9O8S2 763.3146 NA PeJP NA NA +PJ029748 GNNHHW C33H41N13O9 763.3151 NA PeJP NA NA +PJ029749 AEEEMR C29H49N9O13S 763.3171 NA PeJP NA NA +PJ029750 SPPDYW C37H45N7O11 763.3177 NA PeJP NA NA +PJ029751 SKMMMH C30H53N9O8S3 763.3179 NA PeJP NA NA +PJ029752 PCDHHR C30H45N13O9S 763.3184 NA PeJP NA NA +MJ093546 Taxol?; N-Debenzoyl, N-propanoyl, 10-de-Ac C41H49NO13 763.32039 NA MeJP NA NA +PJ029753 GLEEMW C34H49N7O11S 763.3211 NA PeJP NA NA +PJ029754 CNRWW C35H45N11O7S 763.3224 NA PeJP NA NA +PJ029755 GGCRWW C35H45N11O7S 763.3225 NA PeJP NA NA +PJ029756 TKEEEE C30H49N7O16 763.3236 NA PeJP NA NA +PJ029757 PKEEMM C31H53N7O11S2 763.3245 NA PeJP NA NA +PJ029758 SSNDRW C31H45N11O12 763.3249 NA PeJP NA NA +PJ029759 GGGGNQQF C31H45N11O12 763.325 NA PeJP NA NA +PJ029760 ACMHFR C32H49N11O7S2 763.3258 NA PeJP NA NA +PJ029761 SNQEMR C28H49N11O12S 763.3283 NA PeJP NA NA +PJ029762 GSTQWW C36H45N9O10 763.329 NA PeJP NA NA +PJ029763 GNKEMW C33H49N9O10S 763.3323 NA PeJP NA NA +PJ029764 GGGGSLMW C33H49N9O10S 763.3324 NA PeJP NA NA +PJ029765 PEFWW C41H45N7O8 763.333 NA PeJP NA NA +PJ029766 TTEEER C29H49N9O15 763.3348 NA PeJP NA NA +PJ029767 GGGSTKEE C29H49N9O15 763.3349 NA PeJP NA NA +PJ029768 PTEMMR C30H53N9O10S2 763.3357 NA PeJP NA NA +PJ029769 GEEHHR C30H45N13O11 763.3362 NA PeJP NA NA +PJ029770 LEMWW C38H49N7O8S 763.3364 NA PeJP NA NA +PJ029771 STLEEW C34H49N7O13 763.3389 NA PeJP NA NA +PJ029772 SCNERR C27H49N13O11S 763.3396 NA PeJP NA NA +PJ029773 SPLMMW C35H53N7O8S2 763.3397 NA PeJP NA NA +PJ029774 GVEHHW C35H45N11O9 763.3402 NA PeJP NA NA +PJ029775 VKEEEM C31H53N7O13S 763.3422 NA PeJP NA NA +PJ029776 AAPLMMM C32H57N7O8S3 763.3431 NA PeJP NA NA +PJ029777 GSQMRW C32H49N11O9S 763.3436 NA PeJP NA NA +PJ029778 QHFFW C40H45N9O7 763.3442 NA PeJP NA NA +PJ029779 GSSTQER C28H49N11O14 763.3461 NA PeJP NA NA +PJ029780 AQQMMR C29H53N11O9S2 763.3469 NA PeJP NA NA +PJ029781 GGVNMMR C29H53N11O9S2 763.347 NA PeJP NA NA +PJ029782 SNNHHR C29H45N15O10 763.3474 NA PeJP NA NA +PJ029783 NKMWW C37H49N9O7S 763.3476 NA PeJP NA NA +PJ029784 SSQKEW C33H49N9O12 763.3501 NA PeJP NA NA +PJ029785 PCCKKW C34H53N9O7S2 763.351 NA PeJP NA NA +PJ029786 EHHRW C34H45N13O8 763.3514 NA PeJP NA NA +PJ029787 SLEEMR C30H53N9O12S 763.3535 NA PeJP NA NA +MJ093547 Virginiamycin S5 C38H49N7O10 763.35409 NA MeJP NA NA +PJ029788 GPLEYW C38H49N7O10 763.3541 NA PeJP NA NA +PJ029789 PVMMMR C31H57N9O7S3 763.3543 NA PeJP NA NA +PJ029790 GSCRRW C31H49N13O8S 763.3548 NA PeJP NA NA +PJ029791 VHHWW C39H45N11O6 763.3555 NA PeJP NA NA +PJ029792 GSSSDRR C27H49N13O13 763.3573 NA PeJP NA NA +PJ029793 SVLEMW C35H53N7O10S 763.3575 NA PeJP NA NA +PJ029794 GNMMRR C28H53N13O8S2 763.3582 NA PeJP NA NA +PJ029795 SSSLLEE C31H53N7O15 763.36 NA PeJP NA NA +PJ029796 LLQEMM C32H57N7O10S2 763.3609 NA PeJP NA NA +PJ029797 SSTQRW C32H49N11O11 763.3613 NA PeJP NA NA +PJ029798 GGGAAEFR C32H49N11O11 763.3614 NA PeJP NA NA +PJ029799 SNKEMR C29H53N11O11S 763.3647 NA PeJP NA NA +PJ029800 ASSKWW C37H49N9O9 763.3653 NA PeJP NA NA +PJ029801 GSTKWW C37H49N9O9 763.3654 NA PeJP NA NA +3986 NA LGQQQPFPPQQPY 763.367 MH2+ Inhouse_peptide NA peptide +PJ029802 GDKKMW C34H53N9O9S 763.3687 NA PeJP NA NA +PJ029803 PLYWW C42H49N7O7 763.3694 NA PeJP NA NA +PJ029804 GSSKKEE C30H53N9O14 763.3712 NA PeJP NA NA +PJ029805 VVEMMR C31H57N9O9S2 763.3721 NA PeJP NA NA +PJ029806 GNDFRR C31H49N13O10 763.3726 NA PeJP NA NA +MJ093548 Septide C39H53N7O7S 763.372717 NA MeJP NA NA +PJ029807 APLMFW C39H53N7O7S 763.3728 NA PeJP NA NA +PJ029808 PVKEEY C35H53N7O12 763.3752 NA PeJP NA NA +PJ029809 VLQEEF C35H53N7O12 763.3753 NA PeJP NA NA +PJ029810 SSQMRR C28H53N13O10S 763.3759 NA PeJP NA NA +PJ029811 ALLMMW C36H57N7O7S2 763.3761 NA PeJP NA NA +PJ029812 QQFRW C36H49N11O8 763.3766 NA PeJP NA NA +PJ029813 GTTLLEM C32H57N7O12S 763.3786 NA PeJP NA NA +24 Hemoglobin VVYPWT 763.379 celiac toxic Inhouse_peptide NA peptide +PJ029814 GSKMRW C33H53N11O8S 763.38 NA PeJP NA NA +PJ029815 KHFFW C41H49N9O6 763.3806 NA PeJP NA NA +PJ029816 SSSSLQR C29H53N11O13 763.3824 NA PeJP NA NA +PJ029817 GSSTKER C29H53N11O13 763.3825 NA PeJP NA NA +PJ029818 AQKMMR C30H57N11O8S2 763.3833 NA PeJP NA NA +PJ029819 SSKKEW C34H53N9O11 763.3865 NA PeJP NA NA +PJ029820 SSCRRR C27H53N15O9S 763.3872 NA PeJP NA NA +PJ029821 APHHFR C35H49N13O7 763.3878 NA PeJP NA NA +PJ029822 SSSPKKM C31H57N9O11S 763.3898 NA PeJP NA NA +PJ029823 TQKKEM C31H57N9O11S 763.3899 NA PeJP NA NA +PJ029824 SPVLYW C39H53N7O9 763.3905 NA PeJP NA NA +PJ029825 ALMHHR C32H53N13O7S 763.3912 NA PeJP NA NA +PJ029826 GSSTTRR C28H53N13O12 763.3937 NA PeJP NA NA +PJ029827 TTLLMW C36H57N7O9S 763.3939 NA PeJP NA NA +PJ029828 ACKMRR C29H57N13O7S2 763.3946 NA PeJP NA NA +PJ029829 STTTLLE C32H57N7O14 763.3964 NA PeJP NA NA +PJ029830 ASVLLMM C33H61N7O9S2 763.3972 NA PeJP NA NA +PJ029831 LLKEMM C33H61N7O9S2 763.3973 NA PeJP NA NA +PJ029832 SSTKRW C33H53N11O10 763.3977 NA PeJP NA NA +3063 fragment of human b-casein fr:105-117 QPTIPFFDPQIPK 763.39795 MH2+ Inhouse_peptide NA peptide +MJ093549 Fumonisin A1 C36H61NO16 763.399034 NA MeJP NA NA +PJ029833 SDKKMR C30H57N11O10S 763.4011 NA PeJP NA NA +PJ029834 GVQKFW C38H53N9O8 763.4017 NA PeJP NA NA +PJ029835 GGGLKFW C38H53N9O8 763.4018 NA PeJP NA NA +PJ029836 ATKKMW C35H57N9O8S 763.4051 NA PeJP NA NA +PJ029837 LLFWW C43H53N7O6 763.4058 NA PeJP NA NA +PJ029838 GTTTKKE C31H57N9O13 763.4076 NA PeJP NA NA +PJ029839 TLLMMR C32H61N9O8S2 763.4085 NA PeJP NA NA +PJ029840 SQKKHH C32H53N13O9 763.4089 NA PeJP NA NA +PJ029841 AAQRRY C32H53N13O9 763.409 NA PeJP NA NA +PJ029842 VLLQEY C36H57N7O11 763.4116 NA PeJP NA NA +PJ029843 SSKMRR C29H57N13O9S 763.4123 NA PeJP NA NA +PJ029844 QKFRW C37H53N11O7 763.413 NA PeJP NA NA +PJ029845 SSTLLLM C33H61N7O11S 763.415 NA PeJP NA NA +PJ029846 VLKMHH C34H57N11O7S 763.4164 NA PeJP NA NA +PJ029847 SSSSLKR C30H57N11O12 763.4188 NA PeJP NA NA +PJ029848 AKKMMR C31H61N11O7S2 763.4197 NA PeJP NA NA +PJ029849 NRRRY C31H53N15O8 763.4202 NA PeJP NA NA +PJ029850 TTTKKW C35H57N9O10 763.4229 NA PeJP NA NA +PJ029851 TKKKEM C32H61N9O10S 763.4262 NA PeJP NA NA +PJ029852 GLLLYW C40H57N7O8 763.4269 NA PeJP NA NA +PJ029853 PLLKMY C37H61N7O8S 763.4303 NA PeJP NA NA +PJ029854 GLQKRY C34H57N11O9 763.4341 NA PeJP NA NA +PJ029855 TTKKMR C31H61N11O9S 763.4375 NA PeJP NA NA +PJ029856 GVKKFW C39H57N9O7 763.4381 NA PeJP NA NA +PJ029857 VVLMFR C36H61N9O7S 763.4415 NA PeJP NA NA +PJ029858 SSTTLKK C32H61N9O12 763.444 NA PeJP NA NA +PJ029859 VKKKMM C33H65N9O7S2 763.4449 NA PeJP NA NA +PJ029860 AAKRRY C33H57N13O8 763.4453 NA PeJP NA NA +PJ029861 GGPLKHR C33H57N13O8 763.4454 NA PeJP NA NA +PJ029862 VLLKEY C37H61N7O10 763.448 NA PeJP NA NA +PJ029863 KKFRW C38H57N11O6 763.4494 NA PeJP NA NA +MJ093550 Antibiotic FR 900523; 31-O-De-Me C41H65NO12 763.450676 NA MeJP NA NA +MJ093551 Irumamycin C41H65NO12 763.450676 NA MeJP NA NA +PJ029864 APKHRR C32H57N15O7 763.4566 NA PeJP NA NA +PJ029865 VVQKKY C36H61N9O9 763.4592 NA PeJP NA NA +PJ029866 SLLLRY C36H61N9O9 763.4593 NA PeJP NA NA +PJ029867 PLLKFF C41H61N7O7 763.4633 NA PeJP NA NA +PJ029868 LLLKMF C38H65N7O7S 763.4667 NA PeJP NA NA +PJ029869 GLKKRY C35H61N11O8 763.4705 NA PeJP NA NA +PJ029870 PVKKHR C34H61N13O7 763.4817 NA PeJP NA NA +PJ029871 VVKKKY C37H65N9O8 763.4956 NA PeJP NA NA +PJ029872 GVLLLLH C37H65N9O8 763.4957 NA PeJP NA NA +PJ029873 LLLLHR C36H65N11O7 763.5069 NA PeJP NA NA +HMDB08946 PE(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB08977 PE(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB08978 PE(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09038 PE(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09071 PE(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09102 PE(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09103 PE(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09133 PE(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09134 PE(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09166 PE(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09167 PE(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09198 PE(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09294 PE(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09325 PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09326 PE(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09358 PE(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09359 PE(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09390 PE(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09423 PE(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09454 PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09455 PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09617 PE(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09650 PE(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB09682 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0) C43H74NO8P 763.515198 NA HMDB2010 NA NA +HMDB05324 GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C43H74NO8P 763.5152 http://www.hmdb.ca/metabolites/HMDB05324 HMDB NA NA +HMDB05324 GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C43H74NO8P 763.5152 HMDB05324 PFEM_hmdb_metabocards_official NA NA +PJ029874 PPVLLLL C39H69N7O8 763.5208 NA PeJP NA NA +HMDB12356 PS(16:0/18:0) C40H78NO10P 763.536316 NA HMDB2010 NA NA +HMDB12376 PS(18:0/16:0) C40H78NO10P 763.536316 NA HMDB2010 NA NA +HMDB08260 PC(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z)) C44H78NO7P 763.551575 NA HMDB2010 NA NA +HMDB08261 PC(18:4(6Z,9Z,12Z,15Z)/P-18:1(9Z)) C44H78NO7P 763.551575 NA HMDB2010 NA NA +HMDB08521 PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-16:0) C44H78NO7P 763.551575 NA HMDB2010 NA NA +HMDB11222 PC(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) C44H78NO7P 763.551575 NA HMDB2010 NA NA +HMDB11280 PC(P-18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C44H78NO7P 763.551575 NA HMDB2010 NA NA +HMDB11313 PC(P-18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C44H78NO7P 763.551575 NA HMDB2010 NA NA +EUR1068 SM(d18:1/16:0) [M-H+acetate]- C39H80N2O6P 763.596501 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1068 SM(d18:1/16:0) [M-H+acetate]- C39H80N2O6P 763.596501 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1068 SM(d18:1/16:0) [M-H+acetate]- C39H80N2O6P 763.596501 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1068 SM(d18:1/16:0) [M-H+acetate]- C39H80N2O6P 763.596501 masses lipides attendues Inhousejuil11 NA NA +2593 tenecin-1 (1-15) VTCDILSVEAKGVKLG 763.9354 MH2+ Inhouse_peptide NA peptide +MJ093552 6-O-?-D-Glucopyranosyl-D-mannose; ?-Pyranose-form, 2-(Trichloroacetyl), hepta-Ac C28H35Cl3O18 764.088897 NA MeJP NA NA +MJ093553 6-O-?-D-Glucopyranosyl-D-mannose; ?-Pyranose-form, 2-(Trichloroacetyl), hepta-Ac C28H35Cl3O18 764.088897 NA MeJP NA NA +PJ029875 CCCCCCQ C23H40N8O9S6 764.1243 NA PeJP NA NA +PJ029876 GSSCCCCC C23H40N8O11S5 764.142 NA PeJP NA NA +PJ029877 CCCCCCK C24H44N8O8S6 764.1607 NA PeJP NA NA +MJ093554 Tin ethyl etiopurpurin; Dichloride C37H42Cl2N4O2Sn 764.170678 NA MeJP NA NA +PJ029878 GCCCCNY C27H40N8O10S4 764.175 NA PeJP NA NA +PJ029879 GGGCCCCY C27H40N8O10S4 764.1751 NA PeJP NA NA +PJ029880 CCDMMY C29H44N6O10S4 764.2002 NA PeJP NA NA +PJ029881 GCCCNEH C26H40N10O11S3 764.204 NA PeJP NA NA +PJ029882 GGGCCCEH C26H40N10O11S3 764.2041 NA PeJP NA NA +PJ029883 GNDDDDD C26H36N8O19 764.2097 NA PeJP NA NA +PJ029884 CCDDFY C32H40N6O12S2 764.2146 NA PeJP NA NA +MJ093555 1,2,4-Benzenetriol; 2-Me ether, 1,4-bis-O-[6-O-(4-hydroxy-3-methoxybenzoyl)-?-D-glucopyranoside] C35H40O19 764.216379 NA MeJP NA NA +PJ029885 CCMMMF C30H48N6O7S5 764.2188 NA PeJP NA NA +PJ029886 CCCNHW C30H40N10O8S3 764.2193 NA PeJP NA NA +PJ029887 SSCCNDH C26H40N10O13S2 764.2218 NA PeJP NA NA +PJ029888 SPCNDDD C27H40N8O16S 764.2283 NA PeJP NA NA +PJ029889 CDEMMH C28H44N8O11S3 764.2292 NA PeJP NA NA +PJ029890 SCDDYY C32H40N6O14S 764.2323 NA PeJP NA NA +PJ029891 CCDMFF C33H44N6O9S3 764.2332 NA PeJP NA NA +PJ029892 DDEEEE C28H40N6O19 764.2349 NA PeJP NA NA +PJ029893 SCMMMY C30H48N6O9S4 764.2366 NA PeJP NA NA +PJ029894 GCNNNDE C26H40N10O15S 764.2396 NA PeJP NA NA +PJ029895 GSCCQMH C27H44N10O10S3 764.2404 NA PeJP NA NA +PJ029896 CDDEHF C31H40N8O13S 764.2436 NA PeJP NA NA +PJ029897 GPPCCCW C32H44N8O8S3 764.2445 NA PeJP NA NA +PJ029898 GSNDDEE C27H40N8O18 764.2461 NA PeJP NA NA +PJ029899 GPCNDEM C28H44N8O13S2 764.247 NA PeJP NA NA +PJ029900 CCEHHH C29H40N12O9S2 764.2483 NA PeJP NA NA +PJ029901 GCEMYY C33H44N6O11S2 764.251 NA PeJP NA NA +PJ029902 GSCCCHR C26H44N12O9S3 764.2517 NA PeJP NA NA +PJ029903 CNNNDW C30H40N10O12S 764.2548 NA PeJP NA NA +PJ029904 SSNNNDD C26H40N10O17 764.2573 NA PeJP NA NA +PJ029905 GPCCDDR C27H44N10O12S2 764.2582 NA PeJP NA NA +PJ029906 SNDDEW C31H40N8O15 764.2613 NA PeJP NA NA +PJ029907 GGSDDEW C31H40N8O15 764.2614 NA PeJP NA NA +PJ029908 PCNDMW C32H44N8O10S2 764.2622 NA PeJP NA NA +PJ029909 NNEEEM C28H44N8O15S 764.2647 NA PeJP NA NA +PJ029910 SEMMMH C29H48N8O10S3 764.2656 NA PeJP NA NA +PJ029911 CMYYW C37H44N6O8S2 764.2662 NA PeJP NA NA +PJ029912 SSDMYY C33H44N6O13S 764.2687 NA PeJP NA NA +PJ029913 ACMMFY C34H48N6O8S3 764.2696 NA PeJP NA NA +PJ029914 TEEEEE C29H44N6O18 764.2712 NA PeJP NA NA +PJ029915 PEEEMM C30H48N6O13S2 764.2721 NA PeJP NA NA +PJ029916 CNNMHF C31H44N10O9S2 764.2734 NA PeJP NA NA +PJ029917 GGCNMHF C31H44N10O9S2 764.2735 NA PeJP NA NA +MJ093556 Methanofuran; 2''-Hydroxy C34H44N4O16 764.275231 NA MeJP NA NA +PJ029918 GSSSSTCH C27H44N10O14S 764.2759 NA PeJP NA NA +PJ029919 NDDDMR C27H44N10O14S 764.276 NA PeJP NA NA +PJ029920 GSDDWW C35H40N8O12 764.2766 NA PeJP NA NA +PJ029921 SPPCCCR C28H48N10O9S3 764.2768 NA PeJP NA NA +PJ029922 APCCWW C36H44N8O7S2 764.2775 NA PeJP NA NA +PJ029923 GNEEMW C32H44N8O12S 764.28 NA PeJP NA NA +PJ029924 PCMMHF C33H48N8O7S3 764.2808 NA PeJP NA NA +MJ093557 Boholmycin C27H48N4O21 764.281104 NA MeJP NA NA +PJ029925 GSSQEEE C28H44N8O17 764.2825 NA PeJP NA NA +PJ029926 GSPNEMM C29H48N8O12S2 764.2833 NA PeJP NA NA +PJ029927 GGGSPEMM C29H48N8O12S2 764.2834 NA PeJP NA NA +PJ029928 NNDEHH C29H40N12O13 764.2838 NA PeJP NA NA +PJ029929 GPCYYY C37H44N6O10S 764.284 NA PeJP NA NA +PJ029930 CLMMMH C30H52N8O7S4 764.2842 NA PeJP NA NA +PJ029931 TCMHHH C30H44N12O8S2 764.2847 NA PeJP NA NA +PJ029932 PDEEEF C33H44N6O15 764.2865 NA PeJP NA NA +PJ029933 GSCNNDR C26H44N12O13S 764.2872 NA PeJP NA NA +PJ029934 SVCMYY C34H48N6O10S2 764.2873 NA PeJP NA NA +PJ029935 GTMMYY C34H48N6O10S2 764.2874 NA PeJP NA NA +MJ093558 Javanicinoside B C37H48O17 764.28915 NA MeJP NA NA +PJ029936 VEEEEM C30H48N6O15S 764.2899 NA PeJP NA NA +PJ029937 GCDERW C31H44N10O11S 764.2912 NA PeJP NA NA +PJ029938 GSSDDER C27H44N10O16 764.2937 NA PeJP NA NA +PJ029939 GSPCDMR C28H48N10O11S2 764.2946 NA PeJP NA NA +PJ029940 NEMWW C36H44N8O9S 764.2952 NA PeJP NA NA +PJ029941 SSQEEW C32H44N8O14 764.2977 NA PeJP NA NA +PJ029942 SPNMMW C33H48N8O9S2 764.2986 NA PeJP NA NA +PJ029943 GNDHHW C33H40N12O10 764.2991 NA PeJP NA NA +PJ029944 CFFYW C41H44N6O7S 764.2992 NA PeJP NA NA +PJ029945 NDKEEM C29H48N8O14S 764.3011 NA PeJP NA NA +PJ029946 QEYYY C37H44N6O12 764.3017 NA PeJP NA NA +PJ029947 PQQMMM C30H52N8O9S3 764.302 NA PeJP NA NA +PJ029948 GSPCQHH C30H44N12O10S 764.3024 NA PeJP NA NA +PJ029949 GGGPTCHH C30H44N12O10S 764.3025 NA PeJP NA NA +PJ029950 ACMFFF C38H48N6O7S2 764.3026 NA PeJP NA NA +PJ029951 STTMYY C34H48N6O12S 764.3051 NA PeJP NA NA +PJ029952 CNNQMR C27H48N12O10S2 764.3058 NA PeJP NA NA +PJ029953 CDRWW C35H44N10O8S 764.3065 NA PeJP NA NA +PJ029954 ASSSNHY C31H44N10O13 764.3089 NA PeJP NA NA +PJ029955 SSDDRW C31H44N10O13 764.309 NA PeJP NA NA +PJ029956 PTCCRW C32H48N10O8S2 764.3098 NA PeJP NA NA +PJ029957 GMWWW C40H44N8O6S 764.3105 NA PeJP NA NA +PJ029958 SNEEMR C28H48N10O13S 764.3123 NA PeJP NA NA +PJ029959 GGGGGSDKM C28H48N10O13S 764.3124 NA PeJP NA NA +MJ093559 Pacidamycin 5 C36H44N8O11 764.312954 NA MeJP NA NA +PJ029960 GSTEWW C36H44N8O11 764.313 NA PeJP NA NA +PJ029961 PCQMMR C29H52N10O8S3 764.3132 NA PeJP NA NA +PJ029962 ATQEMW C33H48N8O11S 764.3163 NA PeJP NA NA +PJ029963 GDKEMW C33H48N8O11S 764.3164 NA PeJP NA NA +PJ029964 AYYYW C41H44N6O9 764.317 NA PeJP NA NA +PJ029965 GGCCNRR C26H48N14O9S2 764.3171 NA PeJP NA NA +PJ029966 GMHHHF C34H44N12O7S 764.3177 NA PeJP NA NA +PJ029967 GTTTQEE C29H48N8O16 764.3188 NA PeJP NA NA +PJ029968 GSSKEEE C29H48N8O16 764.3189 NA PeJP NA NA +PJ029969 VQQEMM C30H52N8O11S2 764.3197 NA PeJP NA NA +PJ029970 SQQEHH C30H44N12O12 764.3202 NA PeJP NA NA +PJ029971 AAMFYY C38H48N6O9S 764.3204 NA PeJP NA NA +MetaCyc04113 methanofuran b [] C34H48N6O14 764.32285 NA metacyc NA NA +PJ029972 PVEEEY C34H48N6O14 764.3229 NA PeJP NA NA +PJ029973 SCDERR C27H48N12O12S 764.3236 NA PeJP NA NA +PJ029974 GNNQFW C35H44N10O10 764.3242 NA PeJP NA NA +PJ029975 PCCMRR C28H52N12O7S3 764.3244 NA PeJP NA NA +MJ093560 Hispidin A; 15-Deacyl, 15-Ac C38H52O16 764.325535 NA MeJP NA NA +MJ093561 Rohituka substance 2 C38H52O16 764.325535 NA MeJP NA NA +MJ093562 Trichilia substance Tr C C38H52O16 764.325535 NA MeJP NA NA +PJ029976 GSEMRW C32H48N10O10S 764.3276 NA PeJP NA NA +PJ029977 STWWW C40H44N8O8 764.3282 NA PeJP NA NA +PJ029978 GSSTEER C28H48N10O15 764.3301 NA PeJP NA NA +PJ029979 AQEMMR C29H52N10O10S2 764.331 NA PeJP NA NA +PJ029980 SNDHHR C29H44N14O11 764.3314 NA PeJP NA NA +PJ029981 DKMWW C37H48N8O8S 764.3316 NA PeJP NA NA +PJ029982 SSKEEW C33H48N8O13 764.3341 NA PeJP NA NA +PJ029983 GLQMMW C34H52N8O8S2 764.335 NA PeJP NA NA +PJ029984 ATHHHY C34H44N12O9 764.3354 NA PeJP NA NA +PJ029985 GTQHHW C34H44N12O9 764.3355 NA PeJP NA NA +PJ029986 TQKEEM C30H52N8O13S 764.3375 NA PeJP NA NA +PJ029987 KEYYY C38H48N6O11 764.3381 NA PeJP NA NA +PJ029988 PQKMMM C31H56N8O8S3 764.3384 NA PeJP NA NA +PJ029989 VNQMHH C31H48N12O9S 764.3388 NA PeJP NA NA +PJ029990 SSSSNQR C27H48N12O14 764.3413 NA PeJP NA NA +PJ029991 PLEEMF C35H52N6O11S 764.3415 NA PeJP NA NA +PJ029992 GDMMRR C28H52N12O9S2 764.3422 NA PeJP NA NA +PJ029993 SMRWW C36H48N10O7S 764.3428 NA PeJP NA NA +PJ029994 GPCFRW C36H48N10O7S 764.3429 NA PeJP NA NA +PJ029995 LLEEMM C32H56N6O11S2 764.3449 NA PeJP NA NA +PJ029996 SSTERW C32H48N10O12 764.3453 NA PeJP NA NA +PJ029997 GGGSSSKW C32H48N10O12 764.3454 NA PeJP NA NA +PJ029998 AAMMRW C33H52N10O7S2 764.3462 NA PeJP NA NA +PJ029999 PTHHHH C33H44N14O8 764.3467 NA PeJP NA NA +PJ030000 SDKEMR C29H52N10O12S 764.3487 NA PeJP NA NA +PJ030001 SSSLWW C37H48N8O10 764.3494 NA PeJP NA NA +PJ030002 PCKMMR C30H56N10O7S3 764.3496 NA PeJP NA NA +PJ030003 GQMHHR C30H48N14O8S 764.3501 NA PeJP NA NA +PJ030004 ATKEMW C34H52N8O10S 764.3527 NA PeJP NA NA +PJ030005 GGGAPLMY C34H52N8O10S 764.3528 NA PeJP NA NA +PJ030006 AAFFFY C42H48N6O8 764.3534 NA PeJP NA NA +PJ030007 GTTTKEE C30H52N8O15 764.3552 NA PeJP NA NA +PJ030008 VQKEMM C31H56N8O10S2 764.3561 NA PeJP NA NA +PJ030009 GNQQRY C31H48N12O11 764.3566 NA PeJP NA NA +PJ030010 VLEEEF C35H52N6O13 764.3593 NA PeJP NA NA +PJ030011 SSEMRR C28H52N12O11S 764.3599 NA PeJP NA NA +PJ030012 TTCERR C28H52N12O11S 764.36 NA PeJP NA NA +PJ030013 GSPRYW C36H48N10O9 764.3606 NA PeJP NA NA +PJ030014 GCHHRR C29H48N16O7S 764.3613 NA PeJP NA NA +MJ093563 Ophioxanthol; 4,4'-Disulfate C40H60O10S2 764.362789 NA MeJP NA NA +PJ030015 ATTMRW C33H52N10O9S 764.364 NA PeJP NA NA +PJ030016 VQFWW C41H48N8O7 764.3646 NA PeJP NA NA +PJ030017 SSSSLER C29H52N10O14 764.3665 NA PeJP NA NA +PJ030018 SLQMMR C30H56N10O9S2 764.3673 NA PeJP NA NA +PJ030019 AKEMMR C30H56N10O9S2 764.3674 NA PeJP NA NA +PJ030020 STQHHR C30H48N14O10 764.3678 NA PeJP NA NA +PJ030021 GPKMFW C38H52N8O7S 764.368 NA PeJP NA NA +PJ030022 TTTKEW C34H52N8O12 764.3705 NA PeJP NA NA +PJ030023 GLKMMW C35H56N8O7S2 764.3714 NA PeJP NA NA +PJ030024 GTKHHW C35H48N12O8 764.3718 NA PeJP NA NA +PJ030025 TKKEEM C31H56N8O12S 764.3739 NA PeJP NA NA +PJ030026 PPLEFY C39H52N6O10 764.3745 NA PeJP NA NA +PJ030027 PKKMMM C32H60N8O7S3 764.3747 NA PeJP NA NA +PJ030028 APCRRY C32H52N12O8S 764.3752 NA PeJP NA NA +PJ030029 AFRWW C40H48N10O6 764.3759 NA PeJP NA NA +PJ030030 SSSSNKR C28H52N12O13 764.3777 NA PeJP NA NA +PJ030031 PLLEMY C36H56N6O10S 764.3779 NA PeJP NA NA +PJ030032 ATMMRR C29H56N12O8S2 764.3786 NA PeJP NA NA +PJ030033 TTTTRW C33H52N10O11 764.3817 NA PeJP NA NA +PJ030034 GGGGGGLKY C33H52N10O11 764.3818 NA PeJP NA NA +PJ030035 VVHHHH C34H48N14O7 764.3831 NA PeJP NA NA +PJ030036 TTKEMR C30H56N10O11S 764.3851 NA PeJP NA NA +PJ030037 APTKYW C38H52N8O9 764.3857 NA PeJP NA NA +PJ030038 GVLQYW C38H52N8O9 764.3858 NA PeJP NA NA +PJ030039 PPCHRR C31H52N14O7S 764.3865 NA PeJP NA NA +PJ030040 STLKMW C35H56N8O9S 764.3891 NA PeJP NA NA +PJ030041 SSTTLKE C31H56N8O14 764.3916 NA PeJP NA NA +PJ030042 VKKEMM C32H60N8O9S2 764.3925 NA PeJP NA NA +PJ030043 AAERRY C32H52N12O10 764.393 NA PeJP NA NA +PJ030044 VLLEEY C36H56N6O12 764.3956 NA PeJP NA NA +PJ030045 TTTMRR C29H56N12O10S 764.3963 NA PeJP NA NA +PJ030046 LQRYW C37H52N10O8 764.397 NA PeJP NA NA +MJ093564 16,23-Epoxycycloart-7-ene-3,15,16,24,25-pentol, 24-Ac, 3-O-(2-O-malonyl-?-D-xylopyranoside) C40H60O14 764.398306 NA MeJP NA NA +MJ093565 2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione, 16-O-(2,3-Di-O-acetyl-?-D-allopyranoside) C40H60O14 764.398306 NA MeJP NA NA +MJ093566 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[[1S-(Carboxymethoxy)carboxymethyl]-(?3)-?-D-glucuronopyranoside] C40H60O14 764.398306 NA MeJP NA NA +MJ093567 Spirosta-5,25(27)-diene-1,3,23-triol, 1-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C40H60O14 764.398306 NA MeJP NA NA +PJ030047 APKMRY C34H56N10O8S 764.4004 NA PeJP NA NA +PJ030048 VKFWW C42H52N8O6 764.401 NA PeJP NA NA +PJ030049 SSTTTLR C30H56N10O13 764.4028 NA PeJP NA NA +PJ030050 GGSSTTKK C30H56N10O13 764.4029 NA PeJP NA NA +PJ030051 SLKMMR C31H60N10O8S2 764.4037 NA PeJP NA NA +PJ030052 DRRRY C31H52N14O9 764.4042 NA PeJP NA NA +PJ030053 PTKKEY C35H56N8O11 764.4069 NA PeJP NA NA +PJ030054 TFRRW C36H52N12O7 764.4082 NA PeJP NA NA +PJ030055 SSSLLKM C32H60N8O11S 764.4102 NA PeJP NA NA +PJ030056 PPLLYY C40H56N6O9 764.4109 NA PeJP NA NA +PJ030057 GVMFRR C33H56N12O7S 764.4116 NA PeJP NA NA +PJ030058 LLLEMF C37H60N6O9S 764.4143 NA PeJP NA NA +PJ030059 CCKKKR C30H60N12O7S2 764.415 NA PeJP NA NA +PJ030060 GLKERY C34H56N10O10 764.4181 NA PeJP NA NA +PJ030061 GSSKKKM C31H60N10O10S 764.4215 NA PeJP NA NA +PJ030062 GVLKYW C39H56N8O8 764.4221 NA PeJP NA NA +PJ030063 MFRRR C32H56N14O6S 764.4228 NA PeJP NA NA +PJ030064 PVKKMY C36H60N8O8S 764.4255 NA PeJP NA NA +PJ030065 TTTTTLK C32H60N8O13 764.428 NA PeJP NA NA +MJ093568 3,27-Dihydroxy-12-oleanen-28-oic acid, 3,27-Bis(4-hydroxycinnamoyl)(E-) C48H60O8 764.428818 NA MeJP NA NA +MJ093569 3,27-Dihydroxy-12-oleanen-28-oic acid, 3-(4-Hydroxycinnamoyl)(E-), 27-(4-hydroxycinnamoyl)(Z-) C48H60O8 764.428818 NA MeJP NA NA +MJ093570 3,27-Dihydroxy-12-oleanen-28-oic acid, 3-(4-Hydroxycinnamoyl)(Z-), 27-(4-hydroxycinnamoyl)(E-) C48H60O8 764.428818 NA MeJP NA NA +PJ030066 GTLRRY C33H56N12O9 764.4294 NA PeJP NA NA +PJ030067 LKRYW C38H56N10O7 764.4334 NA PeJP NA NA +MJ093571 12-Oleanene-3,16,21,22,23,28-hexol, 21-Tigloyl, 3-O-?-D-glucuronopyranoside C41H64O13 764.434692 NA MeJP NA NA +MJ093572 12-Oleanene-3,16,21,22,23,28-hexol, 28-Tigloyl, 3-O-?-D-glucuronopyranoside C41H64O13 764.434692 NA MeJP NA NA +MJ093573 2,3-Dihydroxy-12,20(30)-ursadien-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093574 22,25-Epoxy-9(11)-holostene-3,12-diol, 3-O-[?-D-Quinovopyranosyl(1?2)-?-D-xylopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093575 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-L-arabinopyranosyl-(1?2)-?-D-glucopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093576 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093577 3,25-Dihydroxy-18-oleanen-30-oic acid, 25-Aldehyde, 3-O-[?-D-xylopyranosyl-(1?2)-?-D-glucopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093578 3-Hydroxy-12-oleanene-28,29-dioic acid, 3-O-?-D-Xylopyranoside, 29-O-xylopyranosyl ester, 28-Me ester C41H64O13 764.434692 NA MeJP NA NA +MJ093579 3-Hydroxy-12-ursen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucuronopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093580 3-Hydroxy-12-ursene-27,28-dioic acid, 28-O-[?-D-Xylofuranosyl-(1?2)-?-L-rhamnopyranosyl] ester C41H64O13 764.434692 NA MeJP NA NA +MJ093581 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-L-rhamnopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093582 3-Hydroxy-13(18)-oleanen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093583 3-Hydroxy-18-oleanen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093584 3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucuronopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093585 3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093586 Digoxin; 12-Deoxy C41H64O13 764.434692 NA MeJP NA NA +MJ093587 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucuronopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093588 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-glucuronopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093589 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-?-D-glucuronopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093590 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-D-glucuronopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093591 Spirost-5-ene-1,3-diol, 1-O-[2-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-?-D-fucopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093592 Spirost-5-ene-1,3-diol, 1-O-[3-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-?-D-fucopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093593 Viranamycin A C41H64O13 764.434692 NA MeJP NA NA +MJ093594 ?-Ilexanolic acid; 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside] C41H64O13 764.434692 NA MeJP NA NA +MJ093595 ?-Ilexanolic acid; [?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl] ester C41H64O13 764.434692 NA MeJP NA NA +C06955 Digitoxin C41H64O13 764.4347 NA KEGG NA NA +C17041 Ophiopogonin A C41H64O13 764.4347 NA KEGG NA NA +MJ093596 Hymenamide F C35H60N10O7S 764.436715 NA MeJP NA NA +PJ030068 ALKMFR C35H60N10O7S 764.4368 NA PeJP NA NA +PJ030069 SSSTKKK C31H60N10O12 764.4392 NA PeJP NA NA +PJ030070 CKKKKM C32H64N10O7S2 764.4401 NA PeJP NA NA +PJ030071 SPLHRR C32H56N14O8 764.4406 NA PeJP NA NA +PJ030072 VVKKEY C36H60N8O10 764.4433 NA PeJP NA NA +PJ030073 PLLLFY C41H60N6O8 764.4473 NA PeJP NA NA +MJ093597 3,21-Dihydroxy-12-oleanen-28-oic acid, 21-Cinnamoyl, 3-O-?-D-glucopyranoside C45H64O10 764.449948 NA MeJP NA NA +PJ030074 LLLLMY C38H64N6O8S 764.4507 NA PeJP NA NA +PJ030075 SVLKRY C35H60N10O9 764.4545 NA PeJP NA NA +MetaCyc04114 13-sophorosyloxydocosanoate 6',6-diacetate''$$$''$$$13-sophorosyloxydocosanoate diacetate;13-[O(2')-β-D-glucopyranosyl-β-D-glucopyranosyloxy]docosanoate O(6'),O(6)-diacetate;'''' [] C38H68O15 764.455822 NA metacyc NA NA +PJ030076 PVKKFF C40H60N8O7 764.4585 NA PeJP NA NA +PJ030077 VLKKMF C37H64N8O7S 764.4619 NA PeJP NA NA +PJ030078 VLLQHR C34H60N12O8 764.4657 NA PeJP NA NA +PJ030079 GGLLLHR C34H60N12O8 764.4658 NA PeJP NA NA +MJ093598 13,28-Epoxy-11-oleanene-3,16-diol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside] C42H68O12 764.471077 NA MeJP NA NA +MJ093599 3-Hydroxy-12-ursen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl] ester C42H68O12 764.471077 NA MeJP NA NA +MJ093600 3-Hydroxy-12-ursen-28-oic acid, 3-O-?-L-Rhamnopyranoside, 28-?-D-glucopyranosyl ester C42H68O12 764.471077 NA MeJP NA NA +MJ093601 3-Hydroxy-18-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C42H68O12 764.471077 NA MeJP NA NA +MJ093602 3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C42H68O12 764.471077 NA MeJP NA NA +MJ093603 Dinactin C42H68O12 764.471077 NA MeJP NA NA +MJ093604 Isoxestovanin A C42H68O12 764.471077 NA MeJP NA NA +MJ093605 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-fucopyranoside] C42H68O12 764.471077 NA MeJP NA NA +MJ093606 Xestovanin A C42H68O12 764.471077 NA MeJP NA NA +PJ030080 ALLHRR C33H60N14O7 764.477 NA PeJP NA NA +PJ030081 TLLKKY C37H64N8O9 764.4797 NA PeJP NA NA +PJ030082 LLLLFF C42H64N6O7 764.4837 NA PeJP NA NA +MJ093607 Nephila clavata Neurotoxin 2 JSTX-2 C36H64N10O8 764.490859 NA MeJP NA NA +PJ030083 AKKKKY C36H64N10O8 764.4909 NA PeJP NA NA +PJ030084 VLLKHR C35H64N12O7 764.5021 NA PeJP NA NA +MJ093608 Lipohexin C39H68N6O9 764.504777 NA MeJP NA NA +MJ093609 24-Methylenecycloartan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C43H72O11 764.507463 NA MeJP NA NA +MJ093610 Narasin A C43H72O11 764.507463 NA MeJP NA NA +PJ030085 PPVVLLK C38H68N8O8 764.5161 NA PeJP NA NA +MJ093611 Belamcandone P C48H76O7 764.559104 NA MeJP NA NA +MJ093612 Loroxanthin; 19-(2-Dodecenoyl) C52H76O4 764.57436 NA MeJP NA NA +MJ093613 Demethoxycoenzyme Q9 C53H80O3 764.610746 NA MeJP NA NA +MJ093614 20(29)-Lupen-3-ol, 3-Hydroxydocosanoyl C52H92O3 764.704646 NA MeJP NA NA +HMDB07615 DG(22:0/24:0/0:0) C49H96O5 764.725769 NA HMDB2010 NA NA +HMDB07811 DG(24:0/22:0/0:0) C49H96O5 764.725769 NA HMDB2010 NA NA +MJ093615 Cholest-5-en-3-ol, Hexacosanoyl C53H96O2 764.741032 NA MeJP NA NA +MJ093616 Stigmast-5-en-3-ol, Tetracosanoyl C53H96O2 764.741032 NA MeJP NA NA +PJ030086 CCCCCCE C23H39N7O10S6 765.1083 NA PeJP NA NA +PJ030087 TCCCCCM C24H43N7O9S6 765.1447 NA PeJP NA NA +PJ030088 GCCCCDY C27H39N7O11S4 765.1591 NA PeJP NA NA +PJ030089 GCCCCMF C28H43N7O8S5 765.1777 NA PeJP NA NA +PJ030090 GCCCDEH C26H39N9O12S3 765.1881 NA PeJP NA NA +PJ030091 GDDDDDD C26H35N7O20 765.1937 NA PeJP NA NA +PJ030092 ATCCCCY C28H43N7O10S4 765.1954 NA PeJP NA NA +PJ030093 GSCCCMY C28H43N7O10S4 765.1955 NA PeJP NA NA +PJ030094 CCCDHW C30H39N9O9S3 765.2033 NA PeJP NA NA +PJ030095 SSCCDDH C26H39N9O14S2 765.2058 NA PeJP NA NA +PJ030096 PTCCCCH C27H43N9O9S4 765.2067 NA PeJP NA NA +PJ030097 SPCDDDD C27H39N7O17S 765.2123 NA PeJP NA NA +PJ030098 SSTCCCY C28H43N7O12S3 765.2132 NA PeJP NA NA +PJ030099 GCNNDDE C26H39N9O16S 765.2236 NA PeJP NA NA +PJ030100 GSCCEMH C27H43N9O11S3 765.2244 NA PeJP NA NA +PJ030101 CCCQFY C32H43N7O9S3 765.2285 NA PeJP NA NA +PJ030102 GSDDDEE C27H39N7O19 765.2301 NA PeJP NA NA +PJ030103 GPCDDEM C28H43N7O14S2 765.231 NA PeJP NA NA +PJ030104 CNNDDW C30H39N9O13S 765.2388 NA PeJP NA NA +PJ030105 GGGGCDDW C30H39N9O13S 765.2389 NA PeJP NA NA +PJ030106 SCCMHW C31H43N9O8S3 765.2397 NA PeJP NA NA +PJ030107 SSNNDDD C26H39N9O18 765.2413 NA PeJP NA NA +PJ030108 GGGGSSDDD C26H39N9O18 765.2414 NA PeJP NA NA +PJ030109 SSSCDMH C27H43N9O13S2 765.2422 NA PeJP NA NA +PJ030110 CNMMMH C28H47N9O8S4 765.2431 NA PeJP NA NA +PJ030111 SDDDEW C31H39N7O16 765.2454 NA PeJP NA NA +PJ030112 PCDDMW C32H43N7O11S2 765.2462 NA PeJP NA NA +PJ030113 NDEEEM C28H43N7O16S 765.2487 NA PeJP NA NA +PJ030114 SPPCCEM C29H47N7O11S3 765.2496 NA PeJP NA NA +PJ030115 GCNNNNM C26H43N11O12S2 765.2534 NA PeJP NA NA +PJ030116 GGGGGCNNM C26H43N11O12S2 765.2535 NA PeJP NA NA +PJ030117 GSPCCNW C31H43N9O10S2 765.2575 NA PeJP NA NA +PJ030118 DDDDMR C27H43N9O15S 765.26 NA PeJP NA NA +PJ030119 GSTCMMH C28H47N9O10S3 765.2608 NA PeJP NA NA +PJ030120 GGGGGPCMM C28H47N9O10S3 765.2609 NA PeJP NA NA +PJ030121 GDEEMW C32H43N7O13S 765.264 NA PeJP NA NA +PJ030122 CCCKFY C33H47N7O8S3 765.2649 NA PeJP NA NA +PJ030123 GSSEEEE C28H43N7O18 765.2665 NA PeJP NA NA +PJ030124 GSPDEMM C29H47N7O13S2 765.2674 NA PeJP NA NA +PJ030125 NDDEHH C29H39N11O14 765.2678 NA PeJP NA NA +PJ030126 GPPCMMM C30H51N7O8S4 765.2682 NA PeJP NA NA +PJ030127 GSCNDDR C26H43N11O14S 765.2712 NA PeJP NA NA +PJ030128 GPCCCQR C27H47N11O9S3 765.2721 NA PeJP NA NA +PJ030129 ACCHFW C35H43N9O7S2 765.2727 NA PeJP NA NA +PJ030130 SNNDMW C31H43N9O12S 765.2752 NA PeJP NA NA +PJ030131 SSSNNEE C27H43N9O17 765.2777 NA PeJP NA NA +PJ030132 SSSSMMH C28H47N9O12S2 765.2786 NA PeJP NA NA +PJ030133 DEMWW C36H43N7O10S 765.2792 NA PeJP NA NA +PJ030134 SSEEEW C32H43N7O15 765.2817 NA PeJP NA NA +PJ030135 GGPDEEY C32H43N7O15 765.2818 NA PeJP NA NA +PJ030136 SPDMMW C33H47N7O10S2 765.2826 NA PeJP NA NA +MetaCyc04115 methanofuran c [] C34H45N4O16 765.283056 NA metacyc NA NA +PJ030137 GDDHHW C33H39N11O11 765.2831 NA PeJP NA NA +MJ093617 Perdeacyleuojaponin; 9-(2-Hydroxy-2-methylpropanoyl), 1,6,8-tri-Ac C36H47NO17 765.284399 NA MeJP NA NA +PJ030138 TQEEEM C29H47N7O15S 765.2851 NA PeJP NA NA +PJ030139 EEYYY C37H43N5O13 765.2858 NA PeJP NA NA +PJ030140 PQEMMM C30H51N7O10S3 765.286 NA PeJP NA NA +PJ030141 GSPCEHH C30H43N11O11S 765.2865 NA PeJP NA NA +MJ093618 Trenudine C36H48ClN3O13 765.287566 NA MeJP NA NA +PJ030142 GSSSSNNN C26H43N11O16 765.2889 NA PeJP NA NA +PJ030143 GGGSSSSNN C26H43N11O16 765.289 NA PeJP NA NA +PJ030144 CNNEMR C27H47N11O11S2 765.2898 NA PeJP NA NA +PJ030145 GGGGGGACCK C27H47N11O11S2 765.2899 NA PeJP NA NA +PJ030146 GSCQWW C35H43N9O9S 765.2905 NA PeJP NA NA +C02574 O-Phosphoviomycin C25H44N13O13P 765.2919 NA KEGG NA NA +MetaCyc04116 O-phosphoviomycin [Phosphoviomycin;] C25H44N13O13P1 765.291915 NA metacyc NA NA +PJ030147 GSSSNEW C31H43N9O14 765.293 NA PeJP NA NA +PJ030148 GNQMMW C32H47N9O9S2 765.2938 NA PeJP NA NA +PJ030149 GGGQMMW C32H47N9O9S2 765.2939 NA PeJP NA NA +PJ030150 GSSQQEM C28H47N9O14S 765.2963 NA PeJP NA NA +PJ030151 SDEEMR C28H47N9O14S 765.2964 NA PeJP NA NA +PJ030152 GPDEYW C36H43N7O12 765.297 NA PeJP NA NA +PJ030153 PCEMMR C29H51N9O9S3 765.2972 NA PeJP NA NA +PJ030154 NNNMHH C29H43N13O10S 765.2977 NA PeJP NA NA +PJ030155 ATEEMW C33H47N7O12S 765.3004 NA PeJP NA NA +PJ030156 CCNDRR C26H47N13O10S2 765.3011 NA PeJP NA NA +PJ030157 APMMMW C34H51N7O7S3 765.3012 NA PeJP NA NA +PJ030158 SPCHHW C34H43N11O8S 765.3017 NA PeJP NA NA +PJ030159 GTTTEEE C29H47N7O17 765.3029 NA PeJP NA NA +PJ030160 VQEEMM C30H51N7O12S2 765.3037 NA PeJP NA NA +PJ030161 GGLEEMM C30H51N7O12S2 765.3038 NA PeJP NA NA +PJ030162 NNNNQY C30H43N11O13 765.3042 NA PeJP NA NA +PJ030163 GCNMRW C31H47N11O8S2 765.3051 NA PeJP NA NA +PJ030164 GSSNDMR C27H47N11O13S 765.3076 NA PeJP NA NA +PJ030165 SSSNWW C35H43N9O11 765.3082 NA PeJP NA NA +PJ030166 GGGGGEFW C35H43N9O11 765.3083 NA PeJP NA NA +PJ030167 GPCCCKR C28H51N11O8S3 765.3085 NA PeJP NA NA +PJ030168 SSQQMW C32H47N9O11S 765.3116 NA PeJP NA NA +PJ030169 PDYWW C40H43N7O9 765.3122 NA PeJP NA NA +PJ030170 SSSNDKE C28H47N9O16 765.3141 NA PeJP NA NA +PJ030171 AEEMMR C29H51N9O11S2 765.315 NA PeJP NA NA +PJ030172 SDDHHR C29H43N13O12 765.3154 NA PeJP NA NA +PJ030173 GGGSSQHH C29H43N13O12 765.3155 NA PeJP NA NA +PJ030174 PPTCYW C37H47N7O9S 765.3156 NA PeJP NA NA +PJ030175 TTTEEW C33H47N7O14 765.3181 NA PeJP NA NA +PJ030176 GLEMMW C34H51N7O9S2 765.319 NA PeJP NA NA +PJ030177 GTEHHW C34H43N11O10 765.3195 NA PeJP NA NA +PJ030178 TKEEEM C30H51N7O14S 765.3215 NA PeJP NA NA +PJ030179 PKEMMM C31H55N7O9S3 765.3224 NA PeJP NA NA +PJ030180 SSCQRW C31H47N11O10S 765.3228 NA PeJP NA NA +PJ030181 GGGGPCRY C31H47N11O10S 765.3229 NA PeJP NA NA +PJ030182 NNFWW C39H43N9O8 765.3235 NA PeJP NA NA +PJ030183 SSSSNER C27H47N11O15 765.3253 NA PeJP NA NA +PJ030184 SNQMMR C28H51N11O10S2 765.3262 NA PeJP NA NA +PJ030185 GSCKWW C36H47N9O8S 765.3269 NA PeJP NA NA +PJ030186 ASSSTQW C32H47N9O13 765.3293 NA PeJP NA NA +PJ030187 GSSSDKW C32H47N9O13 765.3294 NA PeJP NA NA +PJ030188 GNKMMW C33H51N9O8S2 765.3302 NA PeJP NA NA +PJ030189 PMFWW C41H47N7O6S 765.3309 NA PeJP NA NA +PJ030190 TTEEMR C29H51N9O13S 765.3327 NA PeJP NA NA +PJ030191 APTEYW C37H47N7O11 765.3334 NA PeJP NA NA +PJ030192 PTMMMR C30H55N9O8S3 765.3336 NA PeJP NA NA +PJ030193 GEMHHR C30H47N13O9S 765.3341 NA PeJP NA NA +PJ030194 LMMWW C38H51N7O6S2 765.3343 NA PeJP NA NA +PJ030195 THHWW C38H43N11O7 765.3347 NA PeJP NA NA +MJ093619 Antibiotic K 502; Antibiotic K 502-5 C41H51NO13 765.33604 NA MeJP NA NA +PJ030196 STLEMW C34H51N7O11S 765.3367 NA PeJP NA NA +PJ030197 TTLDMW C34H51N7O11S 765.3368 NA PeJP NA NA +PJ030198 SCNMRR C27H51N13O9S2 765.3374 NA PeJP NA NA +PJ030199 GGSCMRR C27H51N13O9S2 765.3375 NA PeJP NA NA +PJ030200 GVMHHW C35H47N11O7S 765.3381 NA PeJP NA NA +PJ030201 SSTTLEE C30H51N7O16 765.3392 NA PeJP NA NA +PJ030202 TTTTLDD C30H51N7O16 765.3393 NA PeJP NA NA +PJ030203 VKEEMM C31H55N7O11S2 765.3401 NA PeJP NA NA +PJ030204 GSSSSRW C31H47N11O12 765.3406 NA PeJP NA NA +PJ030205 ACCKRW C32H51N11O7S2 765.3415 NA PeJP NA NA +PJ030206 AQHHHH C32H43N15O8 765.3419 NA PeJP NA NA +PJ030207 GAAHHHH C32H43N15O8 765.342 NA PeJP NA NA +PJ030208 GSSTQMR C28H51N11O12S 765.344 NA PeJP NA NA +PJ030209 AAQQYW C36H47N9O10 765.3446 NA PeJP NA NA +3634 NA YPFGFH~ 765.346 ACE inhibitor Inhouse_peptide NA peptide +PJ030210 SSQKMW C33H51N9O10S 765.348 NA PeJP NA NA +PJ030211 VEFWW C41H47N7O8 765.3486 NA PeJP NA NA +PJ030212 MHHRW C34H47N13O6S 765.3493 NA PeJP NA NA +PJ030213 SSSTQKE C29H51N9O15 765.3505 NA PeJP NA NA +PJ030214 SLEMMR C30H55N9O10S2 765.3514 NA PeJP NA NA +PJ030215 STEHHR C30H47N13O11 765.3518 NA PeJP NA NA +PJ030216 GGGGPEHR C30H47N13O11 765.3519 NA PeJP NA NA +PJ030217 GPLMYW C38H51N7O8S 765.352 NA PeJP NA NA +PJ030218 PTKEEY C34H51N7O13 765.3545 NA PeJP NA NA +PJ030219 GSSTCRR C27H51N13O11S 765.3552 NA PeJP NA NA +PJ030220 SVLMMW C35H55N7O8S2 765.3554 NA PeJP NA NA +PJ030221 NQRYW C35H47N11O9 765.3558 NA PeJP NA NA +PJ030222 GGQRYW C35H47N11O9 765.3559 NA PeJP NA NA +PJ030223 SSSLLEM C31H55N7O13S 765.3579 NA PeJP NA NA +PJ030224 LLQMMM C32H59N7O8S3 765.3588 NA PeJP NA NA +PJ030225 SSCKRW C32H51N11O9S 765.3592 NA PeJP NA NA +PJ030226 SSSSDKR C28H51N11O14 765.3617 NA PeJP NA NA +PJ030227 SNKMMR C29H55N11O9S2 765.3626 NA PeJP NA NA +PJ030228 PPVMHW C37H51N9O7S 765.3633 NA PeJP NA NA +7747 ACE inhibitor from Alaska Pollack frame protein FGASTRGA 765.364 antioxidative Inhouse_peptide NA peptide +PJ030229 GSSTTKW C33H51N9O12 765.3657 NA PeJP NA NA +PJ030230 GLEERY C33H51N9O12 765.3658 NA PeJP NA NA +PJ030231 ACKKMW C34H55N9O7S2 765.3666 NA PeJP NA NA +PJ030232 GPNHRW C34H47N13O8 765.3671 NA PeJP NA NA +PJ030233 GSSKKEM C30H55N9O12S 765.3691 NA PeJP NA NA +PJ030234 GVLEYW C38H51N7O10 765.3698 NA PeJP NA NA +PJ030235 VVMMMR C31H59N9O7S3 765.37 NA PeJP NA NA +PJ030236 GCQFRR C31H51N13O8S 765.3705 NA PeJP NA NA +PJ030237 SSSSSRR C27H51N13O13 765.3729 NA PeJP NA NA +PJ030238 PVKEMY C35H55N7O10S 765.3731 NA PeJP NA NA +PJ030239 GGLLEMF C35H55N7O10S 765.3732 NA PeJP NA NA +PJ030240 TCCKRR C28H55N13O8S2 765.3738 NA PeJP NA NA +PJ030241 TTTTTLE C31H55N7O15 765.3756 NA PeJP NA NA +PJ030242 GTTLLMM C32H59N7O10S2 765.3765 NA PeJP NA NA +PJ030243 GNKERY C32H51N11O11 765.377 NA PeJP NA NA +MJ093620 Fumonisin C1; 3-Hydroxy, N-Ac C35H59NO17 765.378299 NA MeJP NA NA +PJ030244 AKHHHH C33H47N15O7 765.3783 NA PeJP NA NA +PJ030245 GSSTKMR C29H55N11O11S 765.3803 NA PeJP NA NA +PJ030246 LERYW C37H51N9O9 765.381 NA PeJP NA NA +PJ030247 SSKKMW C34H55N9O9S 765.3844 NA PeJP NA NA +PJ030248 VLYWW C42H51N7O7 765.385 NA PeJP NA NA +PJ030249 SSSTKKE C30H55N9O14 765.3869 NA PeJP NA NA +3496 ACE inhibitor FFVAPFPFEVFGK 765.38695 MH2+ Inhouse_peptide NA peptide +PJ030250 TQKKMM C31H59N9O9S2 765.3877 NA PeJP NA NA +PJ030251 AASKKMM C31H59N9O9S2 765.3878 NA PeJP NA NA +PJ030252 GSQRRY C31H51N13O10 765.3882 NA PeJP NA NA +PJ030253 GLLMFW C39H55N7O7S 765.3884 NA PeJP NA NA +PJ030254 VVKEEY C35H55N7O12 765.3909 NA PeJP NA NA +PJ030255 PLKMMF C36H59N7O7S2 765.3918 NA PeJP NA NA +PJ030256 NKRYW C36H51N11O8 765.3922 NA PeJP NA NA +PJ030257 GGPPPRW C36H51N11O8 765.3923 NA PeJP NA NA +PJ030258 STTTLLM C32H59N7O12S 765.3943 NA PeJP NA NA +PJ030259 LLKMMM C33H63N7O7S3 765.3951 NA PeJP NA NA +PJ030260 GQKMFR C33H55N11O8S 765.3956 NA PeJP NA NA +PJ030261 SSSTTKR C29H55N11O13 765.3981 NA PeJP NA NA +PJ030262 TCKKMR C30H59N11O8S2 765.399 NA PeJP NA NA +PJ030263 SPNHRR C30H51N15O9 765.3995 NA PeJP NA NA +PJ030264 SVLERY C34H55N9O11 765.4021 NA PeJP NA NA +PJ030265 AAAPPPDK C34H55N9O11 765.4022 NA PeJP NA NA +PJ030266 GLHHFR C35H51N13O7 765.4035 NA PeJP NA NA +PJ030267 GTTTKKM C31H59N9O11S 765.4055 NA PeJP NA NA +PJ030268 SVVLYW C39H55N7O9 765.4061 NA PeJP NA NA +PJ030269 ATLLYW C39H55N7O9 765.4062 NA PeJP NA NA +PJ030270 GCKFRR C32H55N13O7S 765.4069 NA PeJP NA NA +PJ030271 VLLQMY C36H59N7O9S 765.4095 NA PeJP NA NA +PJ030272 GDKKRY C33H55N11O10 765.4134 NA PeJP NA NA +MJ093621 Onnamide B; 18,19-Didehydro(E-) C37H59N5O12 765.416022 NA MeJP NA NA +PJ030273 AAKKYW C38H55N9O8 765.4174 NA PeJP NA NA +C12020 Cethromycin C42H59N3O10 765.42 NA KEGG NA NA +MJ093622 11-Amino-11-deoxy-3-oxo-5-O-desosaminyl-6-O-[1'-(3'-quinolyl-2'-propenyl)]erythronolide A, 11,12-cyclic carbamate C42H59N3O10 765.420045 NA MeJP NA NA +PJ030274 ALLMRY C35H59N9O8S 765.4208 NA PeJP NA NA +PJ030275 STTTTKK C31H59N9O13 765.4232 NA PeJP NA NA +2986 kinases inhibitor KKAFRRQEAVDAL 765.42395 MH2+ Inhouse_peptide NA peptide +PJ030276 TKKKMM C32H63N9O8S2 765.4241 NA PeJP NA NA +PJ030277 GSKRRY C32H55N13O9 765.4246 NA PeJP NA NA +PJ030278 TLLKEY C36H59N7O11 765.4273 NA PeJP NA NA +PJ030279 APKKHW C37H55N11O7 765.4286 NA PeJP NA NA +PJ030280 GKKMFR C34H59N11O7S 765.432 NA PeJP NA NA +PJ030281 GLQHRR C31H55N15O8 765.4358 NA PeJP NA NA +PJ030282 GGALHRR C31H55N15O8 765.4359 NA PeJP NA NA +PJ030283 TTLLRY C35H59N9O10 765.4385 NA PeJP NA NA +3012 kinases inhibitor KKALRRQYAVDAL 765.44245 MH2+ Inhouse_peptide NA peptide +PJ030284 PVLKFY C40H59N7O8 765.4425 NA PeJP NA NA +PJ030285 GGLLLFF C40H59N7O8 765.4426 NA PeJP NA NA +PJ030286 VLLKMY C37H63N7O8S 765.4459 NA PeJP NA NA +PJ030287 AAHRRR C30H55N17O7 765.4471 NA PeJP NA NA +PJ030288 STKKFR C34H59N11O9 765.4497 NA PeJP NA NA +PJ030289 ATKKRY C34H59N11O9 765.4498 NA PeJP NA NA +PJ030290 VVLLHW C39H59N9O7 765.4538 NA PeJP NA NA +PJ030291 CLKKKF C36H63N9O7S 765.4572 NA PeJP NA NA +PJ030292 PPLQRR C33H59N13O8 765.461 NA PeJP NA NA +PJ030293 PPVVLLE C37H63N7O10 765.4637 NA PeJP NA NA +PJ030294 GLKHRR C32H59N15O7 765.4722 NA PeJP NA NA +PJ030295 SLKKKY C36H63N9O9 765.4749 NA PeJP NA NA +PJ030296 VLLKFF C41H63N7O7 765.4789 NA PeJP NA NA +PJ030297 GPPVLKR C35H63N11O8 765.4861 NA PeJP NA NA +PJ030298 PPLKRR C34H63N13O7 765.4974 NA PeJP NA NA +PJ030299 PPTLLLL C38H67N7O9 765.5001 NA PeJP NA NA +PJ030300 APPLLKK C37H67N9O8 765.5113 NA PeJP NA NA +PJ030301 LLKKKH C36H67N11O7 765.5225 NA PeJP NA NA +EUR686 PC(36:5) [M-H-CH3]- C44H78NO8P 765.530857 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR981 PC 36:5 [M-H-CH3]- C44H78NO8P 765.530857 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR686 PC(36:5) [M-H-CH3]- C44H78NO8P 765.530857 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR981 PC 36:5 [M-H-CH3]- C44H78NO8P 765.530857 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR686 PC(36:5) [M-H-CH3]- C44H78NO8P 765.530857 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR981 PC 36:5 [M-H-CH3]- C44H78NO8P 765.530857 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR686 PC(36:5) [M-H-CH3]- C44H78NO8P 765.530857 masses lipides attendues Inhousejuil11 NA NA +EUR981 PC 36:5 [M-H-CH3]- C44H78NO8P 765.530857 masses lipides attendues Inhousejuil11 NA NA +HMDB07951 PC(15:0/20:5(5Z,8Z,11Z,14Z,17Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB08494 PC(20:5(5Z,8Z,11Z,14Z,17Z)/15:0) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB08944 PE(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB08945 PE(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB08976 PE(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09005 PE(18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09036 PE(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09037 PE(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09069 PE(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09070 PE(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09100 PE(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09101 PE(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09132 PE(18:3(6Z,9Z,12Z)/20:2(11Z,14Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09165 PE(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09197 PE(18:4(6Z,9Z,12Z,15Z)/20:1(11Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09261 PE(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09292 PE(20:2(11Z,14Z)/18:3(6Z,9Z,12Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09293 PE(20:2(11Z,14Z)/18:3(9Z,12Z,15Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09324 PE(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09357 PE(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09388 PE(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09389 PE(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09421 PE(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09422 PE(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09453 PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:0) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09584 PE(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09616 PE(22:5(4Z,7Z,10Z,13Z,16Z)/16:0) C43H76NO8P 765.530884 NA HMDB2010 NA NA +HMDB09649 PE(22:5(7Z,10Z,13Z,16Z,19Z)/16:0) C43H76NO8P 765.530884 NA HMDB2010 NA NA +PJ030302 PVVLLLL C39H71N7O8 765.5364 NA PeJP NA NA +HMDB08194 PC(18:3(6Z,9Z,12Z)/P-18:1(11Z)) C44H80NO7P 765.567261 NA HMDB2010 NA NA +HMDB08195 PC(18:3(6Z,9Z,12Z)/P-18:1(9Z)) C44H80NO7P 765.567261 NA HMDB2010 NA NA +HMDB08227 PC(18:3(9Z,12Z,15Z)/P-18:1(11Z)) C44H80NO7P 765.567261 NA HMDB2010 NA NA +HMDB08228 PC(18:3(9Z,12Z,15Z)/P-18:1(9Z)) C44H80NO7P 765.567261 NA HMDB2010 NA NA +HMDB08259 PC(18:4(6Z,9Z,12Z,15Z)/dm18:0) C44H80NO7P 765.567261 NA HMDB2010 NA NA +HMDB08455 PC(20:4(5Z,8Z,11Z,14Z)/P-16:0) C44H80NO7P 765.567261 NA HMDB2010 NA NA +HMDB08488 PC(20:4(8Z,11Z,14Z,17Z)/P-16:0) C44H80NO7P 765.567261 NA HMDB2010 NA NA +HMDB11220 PC(P-16:0/20:4(5Z,8Z,11Z,14Z)) C44H80NO7P 765.567261 NA HMDB2010 NA NA +HMDB11221 PC(P-16:0/20:4(8Z,11Z,14Z,17Z)) C44H80NO7P 765.567261 NA HMDB2010 NA NA +HMDB11247 PC(P-18:0/18:4(6Z,9Z,12Z,15Z)) C44H80NO7P 765.567261 NA HMDB2010 NA NA +HMDB11278 PC(P-18:1(11Z)/18:3(6Z,9Z,12Z)) C44H80NO7P 765.567261 NA HMDB2010 NA NA +HMDB11279 PC(P-18:1(11Z)/18:3(9Z,12Z,15Z)) C44H80NO7P 765.567261 NA HMDB2010 NA NA +HMDB11311 PC(P-18:1(9Z)/18:3(6Z,9Z,12Z)) C44H80NO7P 765.567261 NA HMDB2010 NA NA +HMDB11312 PC(P-18:1(9Z)/18:3(9Z,12Z,15Z)) C44H80NO7P 765.567261 NA HMDB2010 NA NA +HMDB13415 PC(o-16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C44H80NO7P 765.567261 NA HMDB2010 NA NA +EUR1043 SM(d18:0/16:0) [M-H+acetate]- C39H82N2O6P 765.612151 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1043 SM(d18:0/16:0) [M-H+acetate]- C39H82N2O6P 765.612151 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1043 SM(d18:0/16:0) [M-H+acetate]- C39H82N2O6P 765.612151 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1043 SM(d18:0/16:0) [M-H+acetate]- C39H82N2O6P 765.612151 masses lipides attendues Inhousejuil11 NA NA +MJ093623 N-(1-Ethyl-3,22-dihydroxydocosyl)-4-hydroxy-2-methyltetracosanamide C49H99NO4 765.75741 NA MeJP NA NA +3000 kinases inhibitor YKALRRQEAVDAL 765.91645 MH2+ Inhouse_peptide NA peptide +3002 kinases inhibitor KYALRRQEAVDAL 765.91645 MH2+ Inhouse_peptide NA peptide +3010 kinases inhibitor KKALRRYEAVDAL 765.93445 MH2+ Inhouse_peptide NA peptide +MJ093624 3,4',5,7-Tetrahydroxyflavylium(1+); 3,5-Bis-O-(malonylglucoside) C33H35O21(+) 766.159258 NA MeJP NA NA +C13129 Sultamicillin tosilate C25H30N4O9S2 766.1648 NA KEGG NA NA +C13130 Transferred to D01669 C25H30N4O9S2 766.1648 NA KEGG NA NA +C13131 Transferred to D01670 C25H30N4O9S2 766.1648 NA KEGG NA NA +C13132 Transferred to D01671 C25H30N4O9S2 766.1648 NA KEGG NA NA +C13133 Transferred to D01672 C25H30N4O9S2 766.1648 NA KEGG NA NA +C13134 Transferred to D01673 C25H30N4O9S2 766.1648 NA KEGG NA NA +C13135 Transferred to D01674 C25H30N4O9S2 766.1648 NA KEGG NA NA +C13136 Transferred to D01675 C25H30N4O9S2 766.1648 NA KEGG NA NA +C13137 Transferred to D01676 C25H30N4O9S2 766.1648 NA KEGG NA NA +PJ030303 GCCCNMH C26H42N10O9S4 766.2019 NA PeJP NA NA +PJ030304 GGGCCCMH C26H42N10O9S4 766.202 NA PeJP NA NA +PJ030305 GCNDDDE C26H38N8O17S 766.2076 NA PeJP NA NA +PJ030306 CCCEFY C32H42N6O10S3 766.2125 NA PeJP NA NA +PJ030307 SSCCCQH C26H42N10O11S3 766.2197 NA PeJP NA NA +PJ030308 CNDDDW C30H38N8O14S 766.2229 NA PeJP NA NA +PJ030309 SSNDDDD C26H38N8O19 766.2253 NA PeJP NA NA +PJ030310 GGSSDDDD C26H38N8O19 766.2254 NA PeJP NA NA +MJ093625 4,4'-Disolorinic acid C42H38O14 766.226155 NA MeJP NA NA +MJ093626 [p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',3',5',6'-Tetrakis(4S,5S-epoxy-2Z-hexenoyl) C42H38O14 766.226155 NA MeJP NA NA +PJ030311 SPCCNDE C27H42N8O14S2 766.2262 NA PeJP NA NA +PJ030312 CDMMMH C28H46N8O9S4 766.2271 NA PeJP NA NA +PJ030313 SCCEYY C32H42N6O12S2 766.2302 NA PeJP NA NA +MJ093627 Sucrose; 3'-O-(4-Hydroxy-3-methoxycinnamoyl)(E-), 6'-O-(4-hydroxy-3,5-dimethoxycinnamoyl)(E-), 6-Ac C35H42O19 766.232029 NA MeJP NA NA +PJ030314 DDEEEM C28H42N6O17S 766.2327 NA PeJP NA NA +PJ030315 GCCNNQE C26H42N10O13S2 766.2374 NA PeJP NA NA +PJ030316 GSSSSCCH C26H42N10O13S2 766.2375 NA PeJP NA NA +PJ030317 ACCCCKH C27H46N10O8S4 766.2383 NA PeJP NA NA +PJ030318 GSPCCDW C31H42N8O11S2 766.2415 NA PeJP NA NA +MJ093628 Lipopurealins; Lipopurealin D C34H52Br2N6O4 766.241679 NA MeJP NA NA +PJ030319 GSNDDEM C27H42N8O16S 766.244 NA PeJP NA NA +PJ030320 APCCNEM C28H46N8O11S3 766.2448 NA PeJP NA NA +PJ030321 GPCNDMM C28H46N8O11S3 766.2449 NA PeJP NA NA +PJ030322 CCMHHH C29H42N12O7S3 766.2462 NA PeJP NA NA +PJ030323 GCMMYY C33H46N6O9S3 766.2489 NA PeJP NA NA +PJ030324 DDDEHH C29H38N10O15 766.2518 NA PeJP NA NA +PJ030325 CCNNQW C30H42N10O10S2 766.2527 NA PeJP NA NA +PJ030326 GSCDDDR C26H42N10O15S 766.2552 NA PeJP NA NA +PJ030327 GPCCCER C27H46N10O10S3 766.2561 NA PeJP NA NA +PJ030328 SNDDMW C31H42N8O13S 766.2592 NA PeJP NA NA +PJ030329 GGGPCDDF C31H42N8O13S 766.2593 NA PeJP NA NA +PJ030330 PCCQMW C32H46N8O8S3 766.2601 NA PeJP NA NA +PJ030331 SSSNDEE C27H42N8O18 766.2617 NA PeJP NA NA +MJ093629 Iryantherin F C43H42O13 766.262541 NA MeJP NA NA +PJ030332 NNEEMM C28H46N8O13S2 766.2626 NA PeJP NA NA +PJ030333 GCDFYY C36H42N6O11S 766.2633 NA PeJP NA NA +PJ030334 SMMMMH C29H50N8O8S4 766.2635 NA PeJP NA NA +PJ030335 GPCCNHH C29H42N12O9S2 766.264 NA PeJP NA NA +PJ030336 PDDEEY C32H42N6O16 766.2658 NA PeJP NA NA +PJ030337 STCMYY C33H46N6O11S2 766.2666 NA PeJP NA NA +PJ030338 TEEEEM C29H46N6O16S 766.2691 NA PeJP NA NA +PJ030339 PEEMMM C30H50N6O11S3 766.27 NA PeJP NA NA +PJ030340 GSSCNNW C30H42N10O12S 766.2705 NA PeJP NA NA +PJ030341 PCCCRW C31H46N10O7S3 766.2713 NA PeJP NA NA +PJ030342 GSSSSNND C26H42N10O17 766.273 NA PeJP NA NA +PJ030343 CNDEMR C27H46N10O12S2 766.2738 NA PeJP NA NA +PJ030344 GGGGGSNMM C27H46N10O12S2 766.2739 NA PeJP NA NA +PJ030345 GSCEWW C35H42N8O10S 766.2745 NA PeJP NA NA +PJ030346 GSSSDEW C31H42N8O15 766.277 NA PeJP NA NA +MJ093630 Rifamycin verde C39H46N2O12S 766.277145 NA MeJP NA NA +PJ030347 GNEMMW C32H46N8O10S2 766.2779 NA PeJP NA NA +PJ030348 GSSQEEM C28H46N8O15S 766.2804 NA PeJP NA NA +PJ030349 GSDYYY C36H42N6O13 766.281 NA PeJP NA NA +PJ030350 GSPNMMM C29H50N8O10S3 766.2812 NA PeJP NA NA +PJ030351 NNDMHH C29H42N12O11S 766.2817 NA PeJP NA NA +PJ030352 GCMFFY C37H46N6O8S2 766.2819 NA PeJP NA NA +MJ093631 Antibiotic BA 12100Z3 C40H46O15 766.28367 NA MeJP NA NA +PJ030353 PDEEMF C33H46N6O13S 766.2844 NA PeJP NA NA +PJ030354 CCDDRR C26H46N12O11S2 766.2851 NA PeJP NA NA +PJ030355 VEEEMM C30H50N6O13S2 766.2878 NA PeJP NA NA +PJ030356 NNNNEY C30H42N10O14 766.2882 NA PeJP NA NA +PJ030357 GGGGGGGGEY C30H42N10O14 766.2883 NA PeJP NA NA +PJ030358 GCDMRW C31H46N10O9S2 766.2891 NA PeJP NA NA +PJ030359 SCWWW C39H42N8O7S 766.2897 NA PeJP NA NA +PJ030360 GSSDDMR C27H46N10O14S 766.2916 NA PeJP NA NA +PJ030361 SSSDWW C35H42N8O12 766.2922 NA PeJP NA NA +PJ030362 GNDEFW C35H42N8O12 766.2923 NA PeJP NA NA +PJ030363 GPTCCMR C28H50N10O9S3 766.2925 NA PeJP NA NA +PJ030364 NMMWW C36H46N8O7S2 766.2931 NA PeJP NA NA +PJ030365 SSQEMW C32H46N8O12S 766.2956 NA PeJP NA NA +PJ030366 PCCKMW C33H50N8O7S3 766.2965 NA PeJP NA NA +PJ030367 GCQHHW C33H42N12O8S 766.297 NA PeJP NA NA +PJ030368 SSSTQEE C28H46N8O17 766.2981 NA PeJP NA NA +PJ030369 NDKEMM C29H50N8O12S2 766.299 NA PeJP NA NA +PJ030370 GSSNEHH C29H42N12O13 766.2995 NA PeJP NA NA +PJ030371 QMYYY C37H46N6O10S 766.2996 NA PeJP NA NA +PJ030372 PTEEEY C33H46N6O15 766.3021 NA PeJP NA NA +PJ030373 VDEEEF C33H46N6O15 766.3022 NA PeJP NA NA +PJ030374 SSSCNNR C26H46N12O13S 766.3028 NA PeJP NA NA +PJ030375 PPEMMY C34H50N6O10S2 766.303 NA PeJP NA NA +PJ030376 GNNNYW C34H42N10O11 766.3035 NA PeJP NA NA +PJ030377 SSCERW C31H46N10O11S 766.3068 NA PeJP NA NA +PJ030378 PCNDRY C31H46N10O11S 766.3069 NA PeJP NA NA +PJ030379 NDFWW C39H42N8O9 766.3075 NA PeJP NA NA +PJ030380 PCHHHH C32H42N14O7S 766.3082 NA PeJP NA NA +PJ030381 SSSSDER C27H46N10O16 766.3093 NA PeJP NA NA +PJ030382 GGGSSSTTN C27H46N10O16 766.3094 NA PeJP NA NA +PJ030383 SNEMMR C28H50N10O11S2 766.3102 NA PeJP NA NA +PJ030384 GSTMWW C36H46N8O9S 766.3109 NA PeJP NA NA +PJ030385 GSSTTEW C32H46N8O14 766.3134 NA PeJP NA NA +PJ030386 ATQMMW C33H50N8O9S2 766.3142 NA PeJP NA NA +PJ030387 GDKMMW C33H50N8O9S2 766.3143 NA PeJP NA NA +PJ030388 SSNHHW C33H42N12O10 766.3147 NA PeJP NA NA +PJ030389 GCFFFF C41H46N6O7S 766.3149 NA PeJP NA NA +PJ030390 GTTTQEM C29H50N8O14S 766.3167 NA PeJP NA NA +PJ030391 GSSKEEM C29H50N8O14S 766.3168 NA PeJP NA NA +PJ030392 GTTYYY C37H46N6O12 766.3174 NA PeJP NA NA +PJ030393 VQQMMM C30H54N8O9S3 766.3176 NA PeJP NA NA +PJ030394 CNNNFR C30H46N12O10S 766.3181 NA PeJP NA NA +MJ093632 4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 11-Cinnamoyl, hexa-Ac C41H50O14 766.320056 NA MeJP NA NA +MJ093633 Zaragozic acid D3 C41H50O14 766.320056 NA MeJP NA NA +PJ030395 PVEEMY C34H50N6O12S 766.3208 NA PeJP NA NA +PJ030396 SCDMRR C27H50N12O10S2 766.3215 NA PeJP NA NA +PJ030397 PPCQHW C35H46N10O8S 766.3221 NA PeJP NA NA +PJ030398 GNEERY C31H46N10O13 766.3246 NA PeJP NA NA +PJ030399 GSMMRW C32H50N10O8S2 766.3255 NA PeJP NA NA +PJ030400 AEHHHH C32H42N14O9 766.326 NA PeJP NA NA +PJ030401 MHFFW C40H46N8O6S 766.3261 NA PeJP NA NA +PJ030402 GSSTEMR C28H50N10O13S 766.328 NA PeJP NA NA +PJ030403 SSTTWW C36H46N8O11 766.3286 NA PeJP NA NA +PJ030404 GGGGPEFF C36H46N8O11 766.3287 NA PeJP NA NA +PJ030405 AQMMMR C29H54N10O8S3 766.3288 NA PeJP NA NA +PJ030406 GAAMMMR C29H54N10O8S3 766.3289 NA PeJP NA NA +PJ030407 SCQHHR C29H46N14O9S 766.3293 NA PeJP NA NA +PJ030408 SSKEMW C33H50N8O11S 766.332 NA PeJP NA NA +PJ030409 QFFYY C41H46N6O9 766.3326 NA PeJP NA NA +PJ030410 GAFFYY C41H46N6O9 766.3327 NA PeJP NA NA +PJ030411 GCKHHW C34H46N12O7S 766.3334 NA PeJP NA NA +PJ030412 SSSTKEE C29H50N8O16 766.3345 NA PeJP NA NA +PJ030413 TQKEMM C30H54N8O11S2 766.3354 NA PeJP NA NA +PJ030414 SNNNRY C30H46N12O12 766.3358 NA PeJP NA NA +PJ030415 GGGGSNRY C30H46N12O12 766.3359 NA PeJP NA NA +PJ030416 KMYYY C38H50N6O9S 766.336 NA PeJP NA NA +PJ030417 VVEEEY C34H50N6O14 766.3385 NA PeJP NA NA +PJ030418 PLEMMF C35H54N6O9S2 766.3394 NA PeJP NA NA +PJ030419 NERYW C35H46N10O10 766.3399 NA PeJP NA NA +PJ030420 ACMMRR C28H54N12O7S3 766.3401 NA PeJP NA NA +MJ093634 3,14,16-Trihydroxybufa-4,20,22-trienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside], 16-Ac C38H54O16 766.341185 NA MeJP NA NA +MJ093635 3,6,8,14-Tetrahydroxybufa-4,20,22-trienolide, 6-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C38H54O16 766.341185 NA MeJP NA NA +MJ093636 Terracinolide A; 6-Debenzoyl, 3-de-Ac, 6-(2-methylpropanoyl) C38H54O16 766.341185 NA MeJP NA NA +8238 Antioxidative peptide IEWEGIESGSVEQA 766.342 MH2+ Inhouse_peptide NA peptide +PJ030421 LLEMMM C32H58N6O9S3 766.3428 NA PeJP NA NA +PJ030422 SSTMRW C32H50N10O10S 766.3432 NA PeJP NA NA +PJ030423 GGAEMFR C32H50N10O10S 766.3433 NA PeJP NA NA +PJ030424 VNYWW C40H46N8O8 766.3439 NA PeJP NA NA +PJ030425 SSSTTER C28H50N10O15 766.3457 NA PeJP NA NA +PJ030426 SDKMMR C29H54N10O10S2 766.3466 NA PeJP NA NA +PJ030427 GSSSHHR C29H46N14O11 766.3471 NA PeJP NA NA +PJ030428 APCKYW C37H50N8O8S 766.3473 NA PeJP NA NA +PJ030429 SSSSTLW C33H50N8O13 766.3497 NA PeJP NA NA +PJ030430 GTTTTTW C33H50N8O13 766.3498 NA PeJP NA NA +PJ030431 ATKMMW C34H54N8O8S2 766.3506 NA PeJP NA NA +PJ030432 GPDHRW C34H46N12O9 766.3511 NA PeJP NA NA +PJ030433 GTTTKEM C30H54N8O13S 766.3531 NA PeJP NA NA +PJ030434 PPVEYY C38H50N6O11 766.3538 NA PeJP NA NA +PJ030435 VQKMMM C31H58N8O8S3 766.354 NA PeJP NA NA +PJ030436 GCEFRR C31H50N12O9S 766.3545 NA PeJP NA NA +PJ030437 GRYWW C39H46N10O7 766.3551 NA PeJP NA NA +PJ030438 VLEEMF C35H54N6O11S 766.3572 NA PeJP NA NA +PJ030439 SSMMRR C28H54N12O9S2 766.3578 NA PeJP NA NA +PJ030440 QMFRW C36H50N10O7S 766.3585 NA PeJP NA NA +PJ030441 GDKERY C32H50N10O12 766.361 NA PeJP NA NA +PJ030442 VLMMHH C33H54N10O7S2 766.3619 NA PeJP NA NA +PJ030443 GNHHFR C33H46N14O8 766.3623 NA PeJP NA NA +PJ030444 GGGHHFR C33H46N14O8 766.3624 NA PeJP NA NA +PJ030445 SSSSLMR C29H54N10O12S 766.3644 NA PeJP NA NA +PJ030446 AAKEYW C37H50N8O10 766.365 NA PeJP NA NA +PJ030447 AKMMMR C30H58N10O7S3 766.3652 NA PeJP NA NA +PJ030448 SCKHHR C30H50N14O8S 766.3657 NA PeJP NA NA +PJ030449 TTTKMW C34H54N8O10S 766.3684 NA PeJP NA NA +PJ030450 KFFYY C42H50N6O8 766.369 NA PeJP NA NA +PJ030451 CFRRW C35H50N12O6S 766.3697 NA PeJP NA NA +PJ030452 STTTTKE C30H54N8O15 766.3709 NA PeJP NA NA +PJ030453 TKKEMM C31H58N8O10S2 766.3718 NA PeJP NA NA +PJ030454 GSERRY C31H50N12O11 766.3722 NA PeJP NA NA +PJ030455 GGGGAALQH C31H50N12O11 766.3723 NA PeJP NA NA +C12560 Saquinavir mesylate C38H50N6O5 766.3724 NA KEGG NA NA +C12561 Transferred to D01161 C38H50N6O5 766.3724 NA KEGG NA NA +C12562 Transferred to D01162 C38H50N6O5 766.3724 NA KEGG NA NA +C12563 Transferred to D01163 C38H50N6O5 766.3724 NA KEGG NA NA +PJ030456 PPLMFY C39H54N6O8S 766.3724 NA PeJP NA NA +PJ030457 TLLEEY C35H54N6O13 766.3749 NA PeJP NA NA +PJ030458 PLLMMY C36H58N6O8S2 766.3758 NA PeJP NA NA +PJ030459 ASTFRW C36H50N10O9 766.3762 NA PeJP NA NA +PJ030460 DKRYW C36H50N10O9 766.3763 NA PeJP NA NA +MJ093637 Cosalane C45H60Cl2O6 766.376695 NA MeJP NA NA +MJ093638 Bryostatin 11 C39H58O15 766.377571 NA MeJP NA NA +7557 ACE inhibitor from spinach YPLDLF 766.3779 antioxidative Inhouse_peptide NA peptide +PJ030461 GLQMRY C33H54N10O9S 766.3796 NA PeJP NA NA +PJ030462 TKFWW C41H50N8O7 766.3803 NA PeJP NA NA +PJ030463 STTTTTR C29H54N10O14 766.3821 NA PeJP NA NA +PJ030464 TTKMMR C30H58N10O9S2 766.383 NA PeJP NA NA +PJ030465 SPDHRR C30H50N14O10 766.3835 NA PeJP NA NA +PJ030466 GVKMFW C38H54N8O7S 766.3837 NA PeJP NA NA +PJ030467 AKKEEY C34H54N8O12 766.3861 NA PeJP NA NA +PJ030468 VDDKKY C34H54N8O12 766.3862 NA PeJP NA NA +PJ030469 SRRYW C35H50N12O8 766.3875 NA PeJP NA NA +PJ030470 SSTTLKM C31H58N8O12S 766.3895 NA PeJP NA NA +PJ030471 PVLEFY C39H54N6O10 766.3902 NA PeJP NA NA +PJ030472 VKKMMM C32H62N8O7S3 766.3904 NA PeJP NA NA +PJ030473 AAMRRY C32H54N12O8S 766.3909 NA PeJP NA NA +PJ030474 VLLEMY C36H58N6O10S 766.3935 NA PeJP NA NA +PJ030475 GNQHRR C29H50N16O9 766.3947 NA PeJP NA NA +PJ030476 KMFRW C37H54N10O6S 766.3949 NA PeJP NA NA +PJ030477 ATKERY C33H54N10O11 766.3974 NA PeJP NA NA +PJ030478 SSSCKKK C30H58N10O11S 766.4007 NA PeJP NA NA +PJ030479 GTLKYW C38H54N8O9 766.4014 NA PeJP NA NA +PJ030480 APMHRR C31H54N14O7S 766.4021 NA PeJP NA NA +MJ093639 Antibiotic SB 22484; Antibiotic SB 22484-2 C42H58N2O11 766.40406 NA MeJP NA NA +PJ030481 PTKKMY C35H58N8O9S 766.4048 NA PeJP NA NA +PJ030482 PPLFFF C43H54N6O7 766.4054 NA PeJP NA NA +PJ030483 ATTRRY C32H54N12O10 766.4086 NA PeJP NA NA +PJ030484 PLLMFF C40H58N6O7S 766.4088 NA PeJP NA NA +PJ030485 LLLMMF C37H62N6O7S2 766.4122 NA PeJP NA NA +PJ030486 SPLKHW C37H54N10O8 766.4126 NA PeJP NA NA +PJ030487 GAALLHW C37H54N10O8 766.4127 NA PeJP NA NA +MJ093640 1,3-Dihydroxy-5,24-withadienolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C40H62O14 766.413956 NA MeJP NA NA +MJ093641 3-Hydroxyspirostan-6-one, 3-O-[2-O-Acetyl-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C40H62O14 766.413956 NA MeJP NA NA +PJ030488 GLKMRY C34H58N10O8S 766.416 NA PeJP NA NA +PJ030489 GLEHRR C31H54N14O9 766.4199 NA PeJP NA NA +PJ030490 SLKKEY C35H58N8O11 766.4225 NA PeJP NA NA +PJ030491 GAAPPLLE C35H58N8O11 766.4226 NA PeJP NA NA +PJ030492 GVLHRW C36H54N12O7 766.4239 NA PeJP NA NA +PJ030493 PVLLYY C40H58N6O9 766.4266 NA PeJP NA NA +PJ030494 PVKMHR C33H58N12O7S 766.4273 NA PeJP NA NA +PJ030495 GNKHRR C30H54N16O8 766.4311 NA PeJP NA NA +PJ030496 STLKRY C34H58N10O10 766.4338 NA PeJP NA NA +PJ030497 LHRRW C35H54N14O6 766.4351 NA PeJP NA NA +MJ093642 Axinastatin 1; 5-L-Leucine analogue C39H58N8O8 766.43776 NA MeJP NA NA +PJ030498 AAPPLLW C39H58N8O8 766.4378 NA PeJP NA NA +PJ030499 VVKKMY C36H62N8O8S 766.4412 NA PeJP NA NA +PJ030500 PPLERR C33H58N12O9 766.445 NA PeJP NA NA +PJ030501 PPVLRW C38H58N10O7 766.449 NA PeJP NA NA +C05372 Tautomycin C41H66O13 766.4503 NA KEGG NA NA +C05373 29-MOS C41H66O13 766.4503 NA KEGG NA NA +C17547 Akeboside Std C41H66O13 766.4503 NA KEGG NA NA +MJ093643 12-Oleanene-3,16,21,22,23,28-hexol, 21-O-(2S-Methylbutanoyl), 3-O-?-D-glucuronopyranoside C41H66O13 766.450342 NA MeJP NA NA +MJ093644 12-Oleanene-3,16,21,22,23,28-hexol, 28-O-(2-Methylbutanoyl), 3-O-?-D-glucuronopyranoside C41H66O13 766.450342 NA MeJP NA NA +MJ093645 12-Oleanene-3,22,24-triol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucuronopyranoside] C41H66O13 766.450342 NA MeJP NA NA +MJ093646 17,22,24-Trihydroxy-28-hopanoic acid; 17?-form, 28?22-Lactone, 24-O-[?-L-arabinofuranosyl-(1?2)-?-D-glucopyranoside] C41H66O13 766.450342 NA MeJP NA NA +MJ093647 27(13?18)-Abeo-3-hydroxy-26-nor-13-taraxeren-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C41H66O13 766.450342 NA MeJP NA NA +MJ093648 3,16,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C41H66O13 766.450342 NA MeJP NA NA +MJ093649 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-L-arabinopyranosyl ester C41H66O13 766.450342 NA MeJP NA NA +MJ093650 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?5)-xylofuranoside] C41H66O13 766.450342 NA MeJP NA NA +MJ093651 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C41H66O13 766.450342 NA MeJP NA NA +MJ093652 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside] C41H66O13 766.450342 NA MeJP NA NA +MJ093653 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside, ?-D-glucopyranosyl ester C41H66O13 766.450342 NA MeJP NA NA +MJ093654 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside] C41H66O13 766.450342 NA MeJP NA NA +MJ093655 3,27-Dihydroxy-20(29)-lupen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?3)-?-D-glucopyranoside] C41H66O13 766.450342 NA MeJP NA NA +MJ093656 3,29-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-?-D-glucopyranosyl ester C41H66O13 766.450342 NA MeJP NA NA +MJ093657 Hederagenin 28-glycosyl esters; 28-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranosyl] ester C41H66O13 766.450342 NA MeJP NA NA +MJ093658 Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside] C41H66O13 766.450342 NA MeJP NA NA +MJ093659 Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside] C41H66O13 766.450342 NA MeJP NA NA +MJ093660 Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-arabinopyranoside] C41H66O13 766.450342 NA MeJP NA NA +MJ093661 Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-arabinopyranoside] C41H66O13 766.450342 NA MeJP NA NA +MJ093662 Hederagenin 3-glycosides; Diglycosides, 3-O-[Glucosyl-(1??)-arabinoside] C41H66O13 766.450342 NA MeJP NA NA +MJ093663 Hederagenin bisdesmosides; Diglycosides, 3-O-?-D-Glucopyranoside, 28-O-?-L-arabinopyranosyl ester C41H66O13 766.450342 NA MeJP NA NA +MJ093664 Hederagenin bisdesmosides; Diglycosides, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranosyl ester C41H66O13 766.450342 NA MeJP NA NA +MJ093665 Holost-9(11)-ene-3,12,17-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside] C41H66O13 766.450342 NA MeJP NA NA +MJ093666 Jujubogenin; 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside] C41H66O13 766.450342 NA MeJP NA NA +MJ093667 Pseudojujubogenin; 3-O-[?-L-Arabinofuranosyl-(1?2)-?-D-glucopyranoside] C41H66O13 766.450342 NA MeJP NA NA +MJ093668 Tautomycin C41H66O13 766.450342 NA MeJP NA NA +PJ030502 SVLHRR C32H58N14O8 766.4562 NA PeJP NA NA +PJ030503 GGPPKRR C32H58N14O8 766.4563 NA PeJP NA NA +PJ030504 APPLLKE C36H62N8O10 766.4589 NA PeJP NA NA +PJ030505 VLLLFY C41H62N6O8 766.4629 NA PeJP NA NA +MJ093669 1-Galactosyl-2,3-di(3,6,9,12,15-octadecapentaenoyl)glycerol C45H66O10 766.465598 NA MeJP NA NA +PJ030506 APPTLLR C35H62N10O9 766.4702 NA PeJP NA NA +PJ030507 VVKKFF C40H62N8O7 766.4742 NA PeJP NA NA +HMDB10666 PG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) C42H71O10P 766.478455 NA HMDB2010 NA NA +HMDB10667 PG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) C42H71O10P 766.478455 NA HMDB2010 NA NA +HMDB10681 PG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) C42H71O10P 766.478455 NA HMDB2010 NA NA +HMDB10682 PG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) C42H71O10P 766.478455 NA HMDB2010 NA NA +PJ030508 TLLKHR C34H62N12O8 766.4814 NA PeJP NA NA +MJ093670 Antibiotic A 110; Antibiotic A 110-3 C42H70O12 766.486727 NA MeJP NA NA +MJ093671 Cucurbita-5,24-diene-3,7,16-triol, O7-Me, 16-O-?-D-glucopyranoside, 3-O-?-D-xylopyranoside C42H70O12 766.486727 NA MeJP NA NA +MJ093672 Cycloart-23-ene-3,25-diol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C42H70O12 766.486727 NA MeJP NA NA +MJ093673 Dammara-20(22),24-diene-3,12-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H70O12 766.486727 NA MeJP NA NA +MJ093674 Dammara-20(22),24-diene-3,6,12-triol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C42H70O12 766.486727 NA MeJP NA NA +MJ093675 Dammara-20,24-diene-3,6,12-triol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C42H70O12 766.486727 NA MeJP NA NA +MJ093676 Eupha-7,24-diene-3,11,23-triol, 11-O-?-D-Glucopyranoside, 23-O-?-L-rhamnopyranoside C42H70O12 766.486727 NA MeJP NA NA +MJ093677 Salinomycin; 5-Hydroxy C42H70O12 766.486727 NA MeJP NA NA +PJ030509 AKKKHR C33H62N14O7 766.4926 NA PeJP NA NA +MJ093678 Curcacycline A C37H66N8O9 766.495275 NA MeJP NA NA +PJ030510 SPPLLLK C37H66N8O9 766.4953 NA PeJP NA NA +MJ093679 Chimeramycin A; O-De(2,6-dideoxy-3-C-methyl-ribo-hexosyl) C41H70N2O11 766.497961 NA MeJP NA NA +PJ030511 GPVLLLR C36H66N10O8 766.5065 NA PeJP NA NA +PJ030512 PLLLRR C35H66N12O7 766.5178 NA PeJP NA NA +PJ030513 APLLLLK C38H70N8O8 766.5317 NA PeJP NA NA +MJ093680 Belamcandone D C48H78O7 766.574754 NA MeJP NA NA +MJ093681 Undecaprenol C55H90O 766.699167 NA MeJP NA NA +MJ093682 Polyprenol; Betulaprenol 11 C55H90O 766.699167 NA MeJP NA NA +MetaCyc04117 undecaprenol [] C55H90O1 766.699168 15575-14-1 metacyc NA NA +C01968 Undecaprenol C55H90O 766.6992 NA KEGG NA NA +C17558 di-trans,poly-cis-Undecaprenol C55H90O 766.6992 NA KEGG NA NA +C17559 3-Polyprenyl-4-hydroxy-5-methoxybenzoate C13H16O4 766.6992 NA KEGG NA NA +C17560 2-Polyprenyl-6-methoxy-1,4-benzoquinone C12H14O3 766.6992 NA KEGG NA NA +C17561 2-Polyprenyl-3-methyl-6-methoxy-1,4-benzoquinone C13H16O3 766.6992 NA KEGG NA NA +C17562 2-Polyprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone C13H16O4 766.6992 NA KEGG NA NA +MetaCyc04118 UDP-N-acetyl-D-galactosamine 4,6-bissulfate [] C17H27N3O23P2S2 766.995199 NA metacyc NA NA +C04589 UDP-N-acetyl-D-galactosamine 4,6-bissulfate C17H27N3O23P2S2 766.9952 NA KEGG NA NA +PJ030514 CCCCCCM C23H41N7O8S7 767.1062 NA PeJP NA NA +EUR192 coenzyme A C21H36N7O16P3S 767.1152 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR192 coenzyme A C21H36N7O16P3S 767.1152 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR192 coenzyme A C21H36N7O16P3S 767.1152 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR192 coenzyme A C21H36N7O16P3S 767.1152 Wishlist Inhousejuil11 NA NA +C00010 CoA C21H36N7O16P3S 767.1152 NA KEGG NA NA +MJ093683 Coenzyme A C21H36N7O16P3S 767.115208 NA MeJP NA NA +MJ093684 CoA C21H36N7O16P3S 767.115208 NA MeJP NA NA +MetaCyc04119 coenzyme A [CoA;co-A-SH;co-enzyme-A;co-A;HS-CoA;] C21H36N7O16P3S1 767.115208 85-61-0 metacyc NA NA +MetaCyc04120 coenzyme-A-group [CoA;] C21H36N7O16P3S1 767.115208 NA metacyc NA NA +EUR192 Coenzyme A C21H36N7O16P3S 767.115219 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR192 Coenzyme A C21H36N7O16P3S 767.115219 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR192 Coenzyme A C21H36N7O16P3S 767.115219 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR192 Coenzyme A C21H36N7O16P3S 767.115219 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR192 Coenzyme A C21H36N7O16P3S 767.115219 Wishlist HMDB NA NA +EUR192 Coenzyme A C21H36N7O16P3S 767.115219 Wishlist Inhouse_PFEM NA NA +EUR192 Coenzyme A C21H36N7O16P3S 767.115219 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR192 Coenzyme A C21H36N7O16P3S 767.115219 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB01423 Coenzyme A C21H36N7O16P3S 767.11523 http://www.hmdb.ca/metabolites/HMDB01423 HMDB NA NA +HMDB01423 Coenzyme A C21H36N7O16P3S 767.11523 HMDB01423 PFEM_hmdb_metabocards_official NA NA +HMDB01423 Coenzyme A C21H36N7O16P3S 767.115234 NA HMDB2010 NA NA +PJ030515 ACCCCCY C27H41N7O9S5 767.157 NA PeJP NA NA +PJ030516 PCCCCCH C26H41N9O8S5 767.1682 NA PeJP NA NA +PJ030517 SSCCCCY C27H41N7O11S4 767.1747 NA PeJP NA NA +PJ030518 GCCCDMH C26H41N9O10S4 767.186 NA PeJP NA NA +PJ030519 GCDDDDE C26H37N7O18S 767.1916 NA PeJP NA NA +PJ030520 SSCCCEH C26H41N9O12S3 767.2037 NA PeJP NA NA +PJ030521 CDDDDW C30H37N7O15S 767.2069 NA PeJP NA NA +PJ030522 CCCNYY C31H41N7O10S3 767.2077 NA PeJP NA NA +PJ030523 SSDDDDD C26H37N7O20 767.2094 NA PeJP NA NA +PJ030524 SPCCDDE C27H41N7O15S2 767.2102 NA PeJP NA NA +PJ030525 PPCCCDM C28H45N7O10S4 767.2111 NA PeJP NA NA +PJ030526 GCNNDDM C26H41N9O14S2 767.2215 NA PeJP NA NA +PJ030527 GSCCMMH C27H45N9O9S4 767.2223 NA PeJP NA NA +PJ030528 GSDDDEM C27H41N7O17S 767.228 NA PeJP NA NA +PJ030529 GPCDDMM C28H45N7O12S3 767.2289 NA PeJP NA NA +PJ030530 SCCNNNN C25H41N11O13S2 767.2327 NA PeJP NA NA +PJ030531 CCNNEW C30H41N9O11S2 767.2367 NA PeJP NA NA +PJ030532 SSCNNDE C26H41N9O16S 767.2392 NA PeJP NA NA +PJ030533 SSTCCMH C27H45N9O11S3 767.2401 NA PeJP NA NA +PJ030534 SCDEEW C31H41N7O14S 767.2432 NA PeJP NA NA +PJ030535 SDDDMW C31H41N7O14S 767.2433 NA PeJP NA NA +PJ030536 PCCEMW C32H45N7O9S3 767.2441 NA PeJP NA NA +PJ030537 SSSDDEE C27H41N7O19 767.2457 NA PeJP NA NA +PJ030538 NDEEMM C28H45N7O14S2 767.2466 NA PeJP NA NA +PJ030539 SPPCCMM C29H49N7O9S4 767.2475 NA PeJP NA NA +PJ030540 GPCCDHH C29H41N11O10S2 767.248 NA PeJP NA NA +PJ030541 GCCNWW C34H41N9O8S2 767.252 NA PeJP NA NA +PJ030542 GSSCNDW C30H41N9O13S 767.2545 NA PeJP NA NA +PJ030543 CCQMHF C31H45N9O8S3 767.2554 NA PeJP NA NA +PJ030544 GSSSSNDD C26H41N9O18 767.257 NA PeJP NA NA +PJ030545 ASCCQQE C27H45N9O13S2 767.2578 NA PeJP NA NA +PJ030546 CDDEMR C27H45N9O13S2 767.2579 NA PeJP NA NA +PJ030547 GSPDDDY C31H41N7O16 767.261 NA PeJP NA NA +PJ030548 GDEMMW C32H45N7O11S2 767.2619 NA PeJP NA NA +PJ030549 GSSEEEM C28H45N7O16S 767.2644 NA PeJP NA NA +PJ030550 GSPDMMM C29H49N7O11S3 767.2652 NA PeJP NA NA +PJ030551 PVTCCDM C29H49N7O11S3 767.2653 NA PeJP NA NA +PJ030552 NDDMHH C29H41N11O12S 767.2657 NA PeJP NA NA +PJ030553 CCCHFR C30H45N11O7S3 767.2666 NA PeJP NA NA +PJ030554 GSCCNER C26H45N11O12S2 767.2691 NA PeJP NA NA +PJ030555 NNNDEY C30H41N9O15 767.2722 NA PeJP NA NA +PJ030556 GGGGNDEY C30H41N9O15 767.2723 NA PeJP NA NA +PJ030557 SCNQMW C31H45N9O10S2 767.2731 NA PeJP NA NA +PJ030558 SSSNNEM C27H45N9O15S 767.2756 NA PeJP NA NA +PJ030559 GDDEFW C35H41N7O13 767.2763 NA PeJP NA NA +PJ030560 NNQMMM C28H49N9O10S3 767.2765 NA PeJP NA NA +PJ030561 GSCNNHH C28H41N13O11S 767.2769 NA PeJP NA NA +PJ030562 GGGSCNHH C28H41N13O11S 767.277 NA PeJP NA NA +PJ030563 DMMWW C36H45N7O8S2 767.2771 NA PeJP NA NA +PJ030564 SSEEMW C32H45N7O13S 767.2796 NA PeJP NA NA +PJ030565 PTCMMW C33H49N7O8S3 767.2805 NA PeJP NA NA +PJ030566 GCEHHW C33H41N11O9S 767.281 NA PeJP NA NA +PJ030567 SSSTEEE C28H45N7O18 767.2821 NA PeJP NA NA +PJ030568 TQEEMM C29H49N7O13S2 767.283 NA PeJP NA NA +PJ030569 GSSDEHH C29H41N11O14 767.2835 NA PeJP NA NA +PJ030570 EMYYY C37H45N5O11S 767.2836 NA PeJP NA NA +PJ030571 PQMMMM C30H53N7O8S4 767.2839 NA PeJP NA NA +PJ030572 SCCNRW C30H45N11O9S2 767.2843 NA PeJP NA NA +PJ030573 GGSCCRW C30H45N11O9S2 767.2844 NA PeJP NA NA +PJ030574 SSSCNDR C26H45N11O14S 767.2868 NA PeJP NA NA +PJ030575 GGSSSCDR C26H45N11O14S 767.2869 NA PeJP NA NA +PJ030576 GNNDYW C34H41N9O12 767.2875 NA PeJP NA NA +PJ030577 CNNMMR C27H49N11O9S3 767.2877 NA PeJP NA NA +PJ030578 GSSSNMW C31H45N9O12S 767.2909 NA PeJP NA NA +PJ030579 DDFWW C39H41N7O10 767.2915 NA PeJP NA NA +PJ030580 CCKMHF C32H49N9O7S3 767.2917 NA PeJP NA NA +PJ030581 GSSSSSQE C27H45N9O17 767.2934 NA PeJP NA NA +PJ030582 SDEMMR C28H49N9O12S2 767.2942 NA PeJP NA NA +PJ030583 GGGGGTTMM C28H49N9O12S2 767.2943 NA PeJP NA NA +PJ030584 GPDMYW C36H45N7O10S 767.2949 NA PeJP NA NA +PJ030585 PCMMMR C29H53N9O7S4 767.2951 NA PeJP NA NA +PJ030586 CHHWW C37H41N11O6S 767.2962 NA PeJP NA NA +PJ030587 AQEEEY C32H45N7O15 767.2974 NA PeJP NA NA +PJ030588 ATEMMW C33H49N7O10S2 767.2983 NA PeJP NA NA +PJ030589 SSDHHW C33H41N11O11 767.2987 NA PeJP NA NA +PJ030590 CCCQRR C26H49N13O8S3 767.299 NA PeJP NA NA +PJ030591 GTTTEEM C29H49N7O15S 767.3008 NA PeJP NA NA +PJ030592 VQEMMM C30H53N7O10S3 767.3016 NA PeJP NA NA +PJ030593 CNNDFR C30H45N11O11S 767.3021 NA PeJP NA NA +PJ030594 GSSCQMR C27H49N11O11S2 767.3055 NA PeJP NA NA +PJ030595 GNNMFW C35H45N9O9S 767.3061 NA PeJP NA NA +PJ030596 SSSSSQW C31H45N9O14 767.3086 NA PeJP NA NA +PJ030597 SCNKMW C32H49N9O9S2 767.3095 NA PeJP NA NA +PJ030598 SSSNDKM C28H49N9O14S 767.312 NA PeJP NA NA +PJ030599 SSPEYW C36H45N7O12 767.3126 NA PeJP NA NA +PJ030600 AAEEYW C36H45N7O12 767.3127 NA PeJP NA NA +PJ030601 AEMMMR C29H53N9O9S3 767.3129 NA PeJP NA NA +PJ030602 SCEHHR C29H45N13O10S 767.3133 NA PeJP NA NA +PJ030603 GPMMFW C37H49N7O7S2 767.3135 NA PeJP NA NA +MJ093685 Streptovaricin; Streptovaricin C, 17-Ketone C40H49NO14 767.315305 NA MeJP NA NA +PJ030604 TTTEMW C33H49N7O12S 767.316 NA PeJP NA NA +PJ030605 PYYYY C41H45N5O10 767.3167 NA PeJP NA NA +PJ030606 GLMMMW C34H53N7O7S3 767.3169 NA PeJP NA NA +PJ030607 GTMHHW C34H45N11O8S 767.3174 NA PeJP NA NA +PJ030608 STTTTEE C29H49N7O17 767.3185 NA PeJP NA NA +PJ030609 TKEEMM C30H53N7O12S2 767.3194 NA PeJP NA NA +PJ030610 SNNDRY C30H45N11O13 767.3199 NA PeJP NA NA +PJ030611 PKMMMM C31H57N7O7S4 767.3203 NA PeJP NA NA +PJ030612 VNMMHH C31H49N11O8S2 767.3207 NA PeJP NA NA +PJ030613 SNHHHH C31H41N15O9 767.3212 NA PeJP NA NA +PJ030614 SSSSNMR C27H49N11O13S 767.3232 NA PeJP NA NA +PJ030615 DERYW C35H45N9O11 767.3239 NA PeJP NA NA +PJ030616 CCQKMR C28H53N11O8S3 767.3241 NA PeJP NA NA +PJ030617 GSSTCKW C32H49N9O11S 767.3272 NA PeJP NA NA +PJ030618 PTCERY C32H49N9O11S 767.3273 NA PeJP NA NA +PJ030619 VDYWW C40H45N7O9 767.3279 NA PeJP NA NA +PJ030620 GSSSSSKE C28H49N9O16 767.3297 NA PeJP NA NA +PJ030621 GSSSSTDK C28H49N9O16 767.3298 NA PeJP NA NA +PJ030622 TTEMMR C29H53N9O11S2 767.3306 NA PeJP NA NA +PJ030623 NNQQQH C29H45N13O12 767.3311 NA PeJP NA NA +MJ093686 Pentagastrin C37H49N7O9S 767.331246 NA MeJP NA NA +PJ030624 APTMYW C37H49N7O9S 767.3313 NA PeJP NA NA +PJ030625 GMMHHR C30H49N13O7S2 767.332 NA PeJP NA NA +PJ030626 AKEEEY C33H49N7O14 767.3338 NA PeJP NA NA +PJ030627 STLMMW C34H53N7O9S2 767.3346 NA PeJP NA NA +PJ030628 GPVVCMY C34H53N7O9S2 767.3347 NA PeJP NA NA +PJ030629 STTHHW C34H45N11O10 767.3351 NA PeJP NA NA +PJ030630 CCCKRR C27H53N13O7S3 767.3353 NA PeJP NA NA +PJ030631 SSTTLEM C30H53N7O14S 767.3371 NA PeJP NA NA +PJ030632 VKEMMM C31H57N7O9S3 767.338 NA PeJP NA NA +PJ030633 GNQMRY C31H49N11O10S 767.3385 NA PeJP NA NA +PJ030634 GNHFFF C39H45N9O8 767.3391 NA PeJP NA NA +PJ030635 GGGHFFF C39H45N9O8 767.3392 NA PeJP NA NA +PJ030636 GSSSSSTR C27H49N11O15 767.341 NA PeJP NA NA +PJ030637 GSSCKMR C28H53N11O10S2 767.3419 NA PeJP NA NA +PJ030638 NNNNHR C28H45N15O11 767.3423 NA PeJP NA NA +PJ030639 GGGGGGNHR C28H45N15O11 767.3424 NA PeJP NA NA +PJ030640 EMFRW C36H49N9O8S 767.3425 NA PeJP NA NA +PJ030641 SSSSSKW C32H49N9O13 767.345 NA PeJP NA NA +3189 cystatin S (108-121) EDRMSLVDSRCQEA 767.3456 MH2+ Inhouse_peptide NA peptide +PJ030642 TCCKKW C33H53N9O8S2 767.3459 NA PeJP NA NA +PJ030643 GDHHFR C33H45N13O9 767.3464 NA PeJP NA NA +PJ030644 VMFWW C41H49N7O6S 767.3465 NA PeJP NA NA +MJ093687 Ceratospongamide C41H49N7O6S 767.346503 NA MeJP NA NA +PJ030645 SSSTQKM C29H53N9O13S 767.3484 NA PeJP NA NA +PJ030646 GTLEYW C37H49N7O11 767.349 NA PeJP NA NA +PJ030647 SLMMMR C30H57N9O8S3 767.3492 NA PeJP NA NA +PJ030648 VTMMMR C30H57N9O8S3 767.3493 NA PeJP NA NA +PJ030649 GCNRRY C30H49N13O9S 767.3497 NA PeJP NA NA +PJ030650 AAHHFW C38H45N11O7 767.3504 NA PeJP NA NA +MJ093688 Austrotaxine C41H53NO13 767.35169 NA MeJP NA NA +MJ093689 Bishaconitine C41H53NO13 767.35169 NA MeJP NA NA +PJ030651 PTKEMY C34H53N7O11S 767.3524 NA PeJP NA NA +PJ030652 LFYYY C42H49N5O9 767.353 NA PeJP NA NA +PJ030653 PCKHHF C35H49N11O7S 767.3538 NA PeJP NA NA +PJ030654 SSSLLMM C31H57N7O11S2 767.3558 NA PeJP NA NA +PJ030655 SSQQRY C31H49N11O12 767.3562 NA PeJP NA NA +PJ030656 GGGGTTRY C31H49N11O12 767.3563 NA PeJP NA NA +PJ030657 PPMMHR C32H53N11O7S2 767.3571 NA PeJP NA NA +PJ030658 SSSTCKR C28H53N11O12S 767.3596 NA PeJP NA NA +PJ030659 GSQKYW C36H49N9O10 767.3603 NA PeJP NA NA +PJ030660 CCKKMR C29H57N11O7S3 767.3605 NA PeJP NA NA +PJ030661 GLEMRY C33H53N9O10S 767.3636 NA PeJP NA NA +PJ030662 GGGGVKMY C33H53N9O10S 767.3637 NA PeJP NA NA +PJ030663 TLYWW C41H49N7O8 767.3643 NA PeJP NA NA +PJ030664 GSSSTTTK C29H53N9O15 767.3661 NA PeJP NA NA +PJ030665 GSSKKMM C30H57N9O10S2 767.367 NA PeJP NA NA +PJ030666 AQQEHR C30H49N13O11 767.3675 NA PeJP NA NA +PJ030667 GVLMYW C38H53N7O8S 767.3677 NA PeJP NA NA +PJ030668 SSPTTLY C34H53N7O13 767.3701 NA PeJP NA NA +PJ030669 SLKEEY C34H53N7O13 767.3702 NA PeJP NA NA +PJ030670 PVKMMY C35H57N7O8S2 767.371 NA PeJP NA NA +PJ030671 SPNKHW C35H49N11O9 767.3715 NA PeJP NA NA +PJ030672 TTTTTLM C31H57N7O13S 767.3735 NA PeJP NA NA +PJ030673 GNKMRY C32H53N11O9S 767.3749 NA PeJP NA NA +PJ030674 PFRYW C40H49N9O7 767.3755 NA PeJP NA NA +PJ030675 GNEHRR C29H49N15O10 767.3787 NA PeJP NA NA +PJ030676 LMRYW C37H53N9O7S 767.3789 NA PeJP NA NA +PJ030677 STLERY C33H53N9O12 767.3814 NA PeJP NA NA +PJ030678 ALMMFR C34H57N9O7S2 767.3823 NA PeJP NA NA +PJ030679 AAQHRW C34H49N13O8 767.3827 NA PeJP NA NA +PJ030680 GGGVHRW C34H49N13O8 767.3828 NA PeJP NA NA +PJ030681 SSSTKKM C30H57N9O12S 767.3848 NA PeJP NA NA +PJ030682 SSLLYW C38H53N7O10 767.3854 NA PeJP NA NA +PJ030683 CKKKMM C31H61N9O7S3 767.3856 NA PeJP NA NA +C03796 Oleandomycin 2'-O-phosphate C35H62NO15P 767.3857 NA KEGG NA NA +MetaCyc04121 oleandomycin 2'-O-phosphate [] C35H62N1O15P1 767.385707 NA metacyc NA NA +PJ030684 PCQKHR C31H53N13O8S 767.3861 NA PeJP NA NA +PJ030685 VVKEMY C35H57N7O10S 767.3888 NA PeJP NA NA +PJ030686 SSQKRY C32H53N11O11 767.3926 NA PeJP NA NA +PJ030687 GGGPPVER C32H53N11O11 767.3927 NA PeJP NA NA +PJ030688 NHRRW C33H49N15O7 767.394 NA PeJP NA NA +PJ030689 AQQKFF C37H53N9O9 767.3966 NA PeJP NA NA +PJ030690 GSKKYW C37H53N9O9 767.3967 NA PeJP NA NA +PJ030691 SVLMRY C34H57N9O9S 767.4 NA PeJP NA NA +PJ030692 GVLFFW C42H53N7O7 767.4007 NA PeJP NA NA +PJ030693 PPNERR C31H53N13O10 767.4039 NA PeJP NA NA +MJ093690 Electrin 1 C39H57N7O7S 767.404017 NA MeJP NA NA +PJ030694 PVKMFF C39H57N7O7S 767.4041 NA PeJP NA NA +PJ030695 GTTTLLY C35H57N7O12 767.4065 NA PeJP NA NA +PJ030696 APPLLEE C35H57N7O12 767.4066 NA PeJP NA NA +PJ030697 VLKMMF C36H61N7O7S2 767.4074 NA PeJP NA NA +PJ030698 PPVNRW C36H53N11O8 767.4079 NA PeJP NA NA +C15821 Rimocidine C39H61NO14 767.4092 NA KEGG NA NA +C15822 CE-108 C39H61NO14 767.4092 NA KEGG NA NA +C15823 Progeldanamycin C39H61NO14 767.4092 NA KEGG NA NA +C15824 Cephabacin C39H61NO14 767.4092 NA KEGG NA NA +C15825 BT1583 C39H61NO14 767.4092 NA KEGG NA NA +C15826 Jamaicamide C39H61NO14 767.4092 NA KEGG NA NA +C15827 Obscurin C39H61NO14 767.4092 NA KEGG NA NA +C15828 Syringopeptin C39H61NO14 767.4092 NA KEGG NA NA +C15829 Glycopeptidelipid C39H61NO14 767.4092 NA KEGG NA NA +C15830 Gramicidin A C39H61NO14 767.4092 NA KEGG NA NA +C15831 A54145 C39H61NO14 767.4092 NA KEGG NA NA +C15834 A28086B C39H61NO14 767.4092 NA KEGG NA NA +C15835 Axenomycin C39H61NO14 767.4092 NA KEGG NA NA +C15838 TMC-151 C39H61NO14 767.4092 NA KEGG NA NA +C15839 Antibiotic K41 C39H61NO14 767.4092 NA KEGG NA NA +C15840 Neocarzilin C39H61NO14 767.4092 NA KEGG NA NA +C15841 Luzopeptin C39H61NO14 767.4092 NA KEGG NA NA +C15842 Lipomycin C39H61NO14 767.4092 NA KEGG NA NA +C15844 Elaiophylin C39H61NO14 767.4092 NA KEGG NA NA +C15845 Arenomycin B C39H61NO14 767.4092 NA KEGG NA NA +C15846 Isomigrastatin C39H61NO14 767.4092 NA KEGG NA NA +C15847 X-206 C39H61NO14 767.4092 NA KEGG NA NA +C15848 Angiotensin III C39H61NO14 767.4092 NA KEGG NA NA +C15849 Angiotensin IV C39H61NO14 767.4092 NA KEGG NA NA +C15850 Angiotensin (1-7) C39H61NO14 767.4092 NA KEGG NA NA +C15851 Angiotensin (1-9) C39H61NO14 767.4092 NA KEGG NA NA +C15852 Angiotensin (1-5) C39H61NO14 767.4092 NA KEGG NA NA +MJ093691 Protoverine; O6-Ac, O15-(R)-2-methylbutanoyl, O3-(+)-threo-2,3-dihydroxy-2-methylbutanoyl C39H61NO14 767.409205 NA MeJP NA NA +MJ093692 Rimocidin C39H61NO14 767.409205 NA MeJP NA NA +MJ093693 Motuporin C40H57N5O10 767.410543 NA MeJP NA NA +PJ030699 ACKKRY C33H57N11O8S 767.4113 NA PeJP NA NA +PJ030700 LFFRW C41H53N9O6 767.4119 NA PeJP NA NA +PJ030701 GDKHRR C30H53N15O9 767.4151 NA PeJP NA NA +PJ030702 SDKKKY C34H57N9O11 767.4178 NA PeJP NA NA +PJ030703 GPPRRW C35H53N13O7 767.4191 NA PeJP NA NA +PJ030704 PVVKYY C39H57N7O9 767.4218 NA PeJP NA NA +PJ030705 PCKKHR C32H57N13O7S 767.4225 NA PeJP NA NA +PJ030706 TLLKMY C36H61N7O9S 767.4252 NA PeJP NA NA +PJ030707 GSHRRR C29H53N17O8 767.4263 NA PeJP NA NA +PJ030708 SSKKRY C33H57N11O10 767.429 NA PeJP NA NA +PJ030709 SLLLHW C38H57N9O8 767.433 NA PeJP NA NA +PJ030710 GAAKKFF C38H57N9O8 767.4331 NA PeJP NA NA +PJ030711 AKKKMY C35H61N9O8S 767.4364 NA PeJP NA NA +PJ030712 NNKKKH C32H57N13O9 767.4402 NA PeJP NA NA +PJ030713 PPDKRR C32H57N13O9 767.4403 NA PeJP NA NA +PJ030714 SPPLLLE C36H61N7O11 767.4429 NA PeJP NA NA +PJ030715 GLKKHW C37H57N11O7 767.4443 NA PeJP NA NA +PJ030716 PKKKMH C34H61N11O7S 767.4476 NA PeJP NA NA +PJ030717 VLLMHR C34H61N11O7S 767.4477 NA PeJP NA NA +PJ030718 SPPRRR C31H57N15O8 767.4515 NA PeJP NA NA +PJ030719 TTKKKY C35H61N9O10 767.4542 NA PeJP NA NA +MJ093694 Stylopeptide 1 C40H61N7O8 767.458161 NA MeJP NA NA +PJ030720 VVLKFY C40H61N7O8 767.4582 NA PeJP NA NA +PJ030721 PPVVLLM C37H65N7O8S 767.4616 NA PeJP NA NA +PJ030722 GPPTLKR C34H61N11O9 767.4654 NA PeJP NA NA +PJ030723 PPLKKW C39H61N9O7 767.4694 NA PeJP NA NA +PJ030724 PVLQRR C33H61N13O8 767.4766 NA PeJP NA NA +PJ030725 GGPLLRR C33H61N13O8 767.4767 NA PeJP NA NA +PJ030726 APLLLLE C37H65N7O10 767.4793 NA PeJP NA NA +PJ030727 APLRRR C32H61N15O7 767.4879 NA PeJP NA NA +PJ030728 SPPVLKK C36H65N9O9 767.4906 NA PeJP NA NA +PJ030729 AAPLLKR C35H65N11O8 767.5018 NA PeJP NA NA +PJ030730 PVLKRR C34H65N13O7 767.513 NA PeJP NA NA +PJ030731 SPLLLLL C38H69N7O9 767.5157 NA PeJP NA NA +PJ030732 GPLLLKK C37H69N9O8 767.5269 NA PeJP NA NA +EUR691 PC(36:4) [M-H-CH3]- C44H80NO8P 767.546507 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR976 PC 36:4 [M-H-CH3]- C44H80NO8P 767.546507 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR691 PC(36:4) [M-H-CH3]- C44H80NO8P 767.546507 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR976 PC 36:4 [M-H-CH3]- C44H80NO8P 767.546507 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR691 PC(36:4) [M-H-CH3]- C44H80NO8P 767.546507 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR976 PC 36:4 [M-H-CH3]- C44H80NO8P 767.546507 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR691 PC(36:4) [M-H-CH3]- C44H80NO8P 767.546507 masses lipides attendues Inhousejuil11 NA NA +EUR976 PC 36:4 [M-H-CH3]- C44H80NO8P 767.546507 masses lipides attendues Inhousejuil11 NA NA +HMDB07949 PC(15:0/20:4(5Z,8Z,11Z,14Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB07950 PC(15:0/20:4(8Z,11Z,14Z,17Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB08428 PC(20:4(5Z,8Z,11Z,14Z)/15:0) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB08461 PC(20:4(8Z,11Z,14Z,17Z)/15:0) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB08943 PE(16:0/22:4(7Z,10Z,13Z,16Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB08969 PE(16:1(9Z)/20:3(8Z,11Z,14Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09003 PE(18:0/20:4(5Z,8Z,11Z,14Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09004 PE(18:0/20:4(8Z,11Z,14Z,17Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09034 PE(18:1(11Z)/20:3(5Z,8Z,11Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09035 PE(18:1(11Z)/20:3(8Z,11Z,14Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09067 PE(18:1(9Z)/20:3(5Z,8Z,11Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09068 PE(18:1(9Z)/20:3(8Z,11Z,14Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09099 PE(18:2(9Z,12Z)/20:2(11Z,14Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09131 PE(18:3(6Z,9Z,12Z)/20:1(11Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09164 PE(18:3(9Z,12Z,15Z)/20:1(11Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09196 PE(18:4(6Z,9Z,12Z,15Z)/20:0) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09228 PE(20:0/18:4(6Z,9Z,12Z,15Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09259 PE(20:1(11Z)/18:3(6Z,9Z,12Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09260 PE(20:1(11Z)/18:3(9Z,12Z,15Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09291 PE(20:2(11Z,14Z)/18:2(9Z,12Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09322 PE(20:3(5Z,8Z,11Z)/18:1(11Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09323 PE(20:3(5Z,8Z,11Z)/18:1(9Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09355 PE(20:3(8Z,11Z,14Z)/18:1(11Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09356 PE(20:3(8Z,11Z,14Z)/18:1(9Z)) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09387 PE(20:4(5Z,8Z,11Z,14Z)/18:0) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09420 PE(20:4(8Z,11Z,14Z,17Z)/18:0) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB09583 PE(22:4(7Z,10Z,13Z,16Z)/16:0) C43H78NO8P 767.546509 NA HMDB2010 NA NA +HMDB05333 GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] C43H78NO8P 767.54651 http://www.hmdb.ca/metabolites/HMDB05333 HMDB NA NA +HMDB05333 GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] C43H78NO8P 767.54651 HMDB05333 PFEM_hmdb_metabocards_official NA NA +PJ030733 ALLLLLL C39H73N7O8 767.5521 NA PeJP NA NA +MJ093695 Batzelladine A C42H73N9O4 767.578551 NA MeJP NA NA +HMDB08161 PC(18:2(9Z,12Z)/P-18:1(11Z)) C44H82NO7P 767.582886 NA HMDB2010 NA NA +HMDB08162 PC(18:2(9Z,12Z)/P-18:1(9Z)) C44H82NO7P 767.582886 NA HMDB2010 NA NA +HMDB08193 PC(18:3(6Z,9Z,12Z)/P-18:0) C44H82NO7P 767.582886 NA HMDB2010 NA NA +HMDB08226 PC(18:3(9Z,12Z,15Z)/P-18:0) C44H82NO7P 767.582886 NA HMDB2010 NA NA +HMDB08390 PC(20:3(5Z,8Z,11Z)/P-16:0) C44H82NO7P 767.582886 NA HMDB2010 NA NA +HMDB08422 PC(20:3(8Z,11Z,14Z)/P-16:0) C44H82NO7P 767.582886 NA HMDB2010 NA NA +HMDB11218 PC(P-16:0/20:3(5Z,8Z,11Z)) C44H82NO7P 767.582886 NA HMDB2010 NA NA +HMDB11219 PC(P-16:0/20:3(8Z,11Z,14Z)) C44H82NO7P 767.582886 NA HMDB2010 NA NA +HMDB11245 PC(P-18:0/18:3(6Z,9Z,12Z)) C44H82NO7P 767.582886 NA HMDB2010 NA NA +HMDB11246 PC(P-18:0/18:3(9Z,12Z,15Z)) C44H82NO7P 767.582886 NA HMDB2010 NA NA +HMDB11277 PC(P-18:1(11Z)/18:2(9Z,12Z)) C44H82NO7P 767.582886 NA HMDB2010 NA NA +HMDB11310 PC(P-18:1(9Z)/18:2(9Z,12Z)) C44H82NO7P 767.582886 NA HMDB2010 NA NA +HMDB13407 PC(o-16:0/20:4(8Z,11Z,14Z,17Z)) C44H82NO7P 767.582886 NA HMDB2010 NA NA +HMDB13435 PC(o-18:2(9Z,12Z)/18:2(9Z,12Z)) C44H82NO7P 767.582886 NA HMDB2010 NA NA +MJ093696 2-Amino-1,3,4-octadecanetriol, N-(2-Hydroxytriacontanoyl) C48H97NO5 767.736675 NA MeJP NA NA +2954 mastoparan from venom of Vespula levissii INLKALAALAKKILG 767.99895 MH2+ Inhouse_peptide NA peptide +5416 mastoparan INLKALAALAKKILG 767.99895 MH2+ Inhouse_peptide NA peptide +C11369 Fluo-3 C36H30Cl2N2O13 768.1125 NA KEGG NA NA +FL5FACGS0097 Quercetin 3-(2'',6''-digalloylgalactoside);3-[[2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-beta-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C35H28O20 768.11739 200860-88-4 knapsack NA NA +FL5FAGGS0033 Myricetin 3-(2'',3''-digalloylrhamnoside);3-[[6-Deoxy-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C35H28O20 768.11739 272128-15-1 knapsack NA NA +MJ093697 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?2)-[3,4,5-trihydroxybenzoyl-(?3)]-?-L-rhamnopyranoside] C35H28O20 768.117393 NA MeJP NA NA +MJ093698 Hyperin; 2'',6''-Bis(3,4,5-trihydroxybenzoyl) C35H28O20 768.117393 NA MeJP NA NA +MJ093699 Isoquercitrin; 2'',3''-Bis-O-(3,4,5-trihydroxybenzoyl) C35H28O20 768.117393 NA MeJP NA NA +MJ093700 Aminochlorthenoxycycline C32H37ClN4O14S 768.17155 NA MeJP NA NA +PJ030734 SCCCCNH C25H40N10O10S4 768.1812 NA PeJP NA NA +MJ093701 Betanidin; 15-Epimer, 5-O-[?-D-apiofuranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside] C32H36N2O20 768.186141 NA MeJP NA NA +MJ093702 Betanidin; 5-O-[?-D-Apiofuranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside] C32H36N2O20 768.186141 NA MeJP NA NA +PJ030735 PCCCNDD C26H40N8O13S3 768.1877 NA PeJP NA NA +MJ093703 Antibiotic Sch 64877 C34H44N2O10S4 768.187878 NA MeJP NA NA +PJ030736 CCCDYY C31H40N6O11S3 768.1917 NA PeJP NA NA +PJ030737 GCNDDDM C26H40N8O15S2 768.2055 NA PeJP NA NA +PJ030738 GSPPCCCC C27H44N8O10S4 768.2064 NA PeJP NA NA +PJ030739 CCCMFY C32H44N6O8S4 768.2104 NA PeJP NA NA +MJ093704 3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)-[3R-hydroxy-3-methylglutaroyl-(?6)]-?-D-glucopyranoside] C34H40O20 768.211293 NA MeJP NA NA +PJ030740 SCCNNND C25H40N10O14S2 768.2167 NA PeJP NA NA +PJ030741 CCNDEW C30H40N8O12S2 768.2207 NA PeJP NA NA +PJ030742 SSCNDDE C26H40N8O17S 768.2232 NA PeJP NA NA +PJ030743 GGSSCDDE C26H40N8O17S 768.2233 NA PeJP NA NA +PJ030744 SPCCNDM C27H44N8O12S3 768.2241 NA PeJP NA NA +PJ030745 SCCMYY C32H44N6O10S3 768.2281 NA PeJP NA NA +PJ030746 DDEEMM C28H44N6O15S2 768.2306 NA PeJP NA NA +PJ030747 GCCNNQM C26H44N10O11S3 768.2353 NA PeJP NA NA +PJ030748 GGGCCNQM C26H44N10O11S3 768.2354 NA PeJP NA NA +PJ030749 GCCDWW C34H40N8O9S2 768.236 NA PeJP NA NA +PJ030750 GSSCDDW C30H40N8O14S 768.2385 NA PeJP NA NA +PJ030751 GPTCCCW C31H44N8O9S3 768.2394 NA PeJP NA NA +PJ030752 GSSSSDDD C26H40N8O19 768.241 NA PeJP NA NA +MJ093705 Chokorin C42H40O14 768.241805 NA MeJP NA NA +PJ030753 GSNDDMM C27H44N8O14S2 768.2419 NA PeJP NA NA +PJ030754 GPCCQMM C28H48N8O9S4 768.2427 NA PeJP NA NA +PJ030755 GGAPCCMM C28H48N8O9S4 768.2428 NA PeJP NA NA +PJ030756 CCCFFF C36H44N6O7S3 768.2434 NA PeJP NA NA +PJ030757 DDDEEF C31H40N6O17 768.245 NA PeJP NA NA +PJ030758 GCCCNNR C25H44N12O10S3 768.2466 NA PeJP NA NA +MJ093706 Catalpol; 10-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 6-O-(3,4-di-O-acetyl-?-L-rhamnopyranoside) C35H44O19 768.247679 NA MeJP NA NA +MJ093707 Catalpol; 6-O-[(3-Hydroxy-4-methoxy-E-cinnamoyl)-(?4)-2,3-di-O-acetyl-?-L-rhamnopyranoside] C35H44O19 768.247679 NA MeJP NA NA +MJ093708 Sucrose; 3'-O-(3,4,5-Trimethoxycinnamoyl), 6-O-(4-hydroxy-3,5-dimethoxycinnamoyl) C35H44O19 768.247679 NA MeJP NA NA +PJ030759 DDDMHH C29H40N10O13S 768.2497 NA PeJP NA NA +PJ030760 GSCCDER C26H44N10O13S2 768.2531 NA PeJP NA NA +PJ030761 GPCCCMR C27H48N10O8S4 768.254 NA PeJP NA NA +PJ030762 NNDDEY C30H40N8O16 768.2562 NA PeJP NA NA +PJ030763 GGNDDEY C30H40N8O16 768.2563 NA PeJP NA NA +PJ030764 SCNEMW C31H44N8O11S2 768.2571 NA PeJP NA NA +PJ030765 SSSNDEM C27H44N8O16S 768.2596 NA PeJP NA NA +PJ030766 NNEMMM C28H48N8O11S3 768.2605 NA PeJP NA NA +PJ030767 GSCNDHH C28H40N12O12S 768.261 NA PeJP NA NA +PJ030768 ACCFYY C36H44N6O9S2 768.2611 NA PeJP NA NA +MJ093709 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, Tris(3-furancarbonyl), 2-methylbutanoyl, di-Ac(1) C39H44O16 768.262935 NA MeJP NA NA +MJ093710 1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, Tris(3-furancarbonyl), 2-methylbutanoyl, di-Ac(2) C39H44O16 768.262935 NA MeJP NA NA +PJ030769 PDDEMY C32H44N6O14S 768.2637 NA PeJP NA NA +PJ030770 TEEEMM C29H48N6O14S2 768.267 NA PeJP NA NA +PJ030771 GPNDDDH C29H40N10O15 768.2675 NA PeJP NA NA +PJ030772 PEMMMM C30H52N6O9S4 768.2679 NA PeJP NA NA +PJ030773 SCCDRW C30H44N10O10S2 768.2684 NA PeJP NA NA +PJ030774 SSSCDDR C26H44N10O15S 768.2709 NA PeJP NA NA +PJ030775 GNDDYW C34H40N8O13 768.2715 NA PeJP NA NA +PJ030776 CNDMMR C27H48N10O10S3 768.2717 NA PeJP NA NA +PJ030777 GGGGGCCKM C27H48N10O10S3 768.2718 NA PeJP NA NA +PJ030778 GSCMWW C35H44N8O8S2 768.2724 NA PeJP NA NA +PJ030779 GSSSDMW C31H44N8O13S 768.2749 NA PeJP NA NA +PJ030780 GNMMMW C32H48N8O8S3 768.2758 NA PeJP NA NA +PJ030781 GSSSSSEE C27H44N8O18 768.2774 NA PeJP NA NA +PJ030782 SSCCLQE C28H48N8O13S2 768.2782 NA PeJP NA NA +PJ030783 GSSQEMM C28H48N8O13S2 768.2783 NA PeJP NA NA +PJ030784 GTCYYY C36H44N6O11S 768.2789 NA PeJP NA NA +PJ030785 GPCCKMM C29H52N8O8S4 768.2791 NA PeJP NA NA +PJ030786 CNQMHH C29H44N12O9S2 768.2796 NA PeJP NA NA +PJ030787 AEEEEY C32H44N6O16 768.2814 NA PeJP NA NA +PJ030788 PDEMMF C33H48N6O11S2 768.2823 NA PeJP NA NA +PJ030789 CCCERR C26H48N12O9S3 768.283 NA PeJP NA NA +MJ093711 2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?3)-[3,4-dimethoxycinnamoyl-(?4)]-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C36H48O18 768.284064 NA MeJP NA NA +MJ093712 Bruceosin; 15-Deacyl, 15-(4-Acetoxy-3,4-dimethyl-2E-pentenoyl), 2-O-?-D-glucopyranoside C36H48O18 768.284064 NA MeJP NA NA +MJ093713 Yadanzioside N; 6'-Acetoxy C36H48O18 768.284064 NA MeJP NA NA +PJ030790 LDEMMM C30H52N6O11S3 768.2856 NA PeJP NA NA +PJ030791 VEEMMM C30H52N6O11S3 768.2857 NA PeJP NA NA +PJ030792 NNNNMY C30H44N10O12S 768.2861 NA PeJP NA NA +PJ030793 ACCMRW C31H48N10O7S3 768.287 NA PeJP NA NA +PJ030794 SSSSSSNN C26H44N10O17 768.2886 NA PeJP NA NA +PJ030795 GSSCEMR C27H48N10O12S2 768.2895 NA PeJP NA NA +PJ030796 SSTCWW C35H44N8O10S 768.2901 NA PeJP NA NA +PJ030797 GGGDMFW C35H44N8O10S 768.2902 NA PeJP NA NA +PJ030798 CCNHHR C28H44N14O8S2 768.2908 NA PeJP NA NA +PJ030799 SSSSSEW C31H44N8O15 768.2926 NA PeJP NA NA +PJ030800 GGGGTEEY C31H44N8O15 768.2927 NA PeJP NA NA +MJ093714 Rifamycin Q C39H48N2O12S 768.292795 NA MeJP NA NA +PJ030801 SSQMMW C32H48N8O10S2 768.2935 NA PeJP NA NA +PJ030802 SSSTQEM C28H48N8O15S 768.296 NA PeJP NA NA +PJ030803 SSSYYY C36H44N6O13 768.2966 NA PeJP NA NA +PJ030804 PPDDYY C36H44N6O13 768.2967 NA PeJP NA NA +PJ030805 NDKMMM C29H52N8O10S3 768.2969 NA PeJP NA NA +PJ030806 ASSCQHH C29H44N12O11S 768.2973 NA PeJP NA NA +PJ030807 GSSNMHH C29H44N12O11S 768.2974 NA PeJP NA NA +PJ030808 PTEEMY C33H48N6O13S 768.3 NA PeJP NA NA +PJ030809 PPMMMY C34H52N6O8S3 768.3009 NA PeJP NA NA +PJ030810 PCEHHF C34H44N10O9S 768.3014 NA PeJP NA NA +PJ030811 SNDDRY C30H44N10O14 768.3039 NA PeJP NA NA +PJ030812 SSCMRW C31H48N10O9S2 768.3047 NA PeJP NA NA +PJ030813 GAPCCRY C31H48N10O9S2 768.3048 NA PeJP NA NA +PJ030814 SDHHHH C31H40N14O10 768.3052 NA PeJP NA NA +PJ030815 CQFWW C39H44N8O7S 768.3054 NA PeJP NA NA +PJ030816 SSSSDMR C27H48N10O14S 768.3072 NA PeJP NA NA +PJ030817 GGGSSSSCK C27H48N10O14S 768.3073 NA PeJP NA NA +PJ030818 GSQEYW C35H44N8O12 768.3079 NA PeJP NA NA +PJ030819 SNMMMR C28H52N10O9S3 768.3081 NA PeJP NA NA +PJ030820 GMMHFF C36H48N8O7S2 768.3088 NA PeJP NA NA +PJ030821 GSSTTMW C32H48N8O12S 768.3113 NA PeJP NA NA +PJ030822 NFYYY C40H44N6O10 768.3119 NA PeJP NA NA +PJ030823 ACKMMW C33H52N8O7S3 768.3121 NA PeJP NA NA +PJ030824 GSSSTTTE C28H48N8O17 768.3138 NA PeJP NA NA +PJ030825 GSSKEMM C29H52N8O12S2 768.3146 NA PeJP NA NA +PJ030826 SSSSQHH C29H44N12O13 768.3151 NA PeJP NA NA +PJ030827 PPDMFY C37H48N6O10S 768.3153 NA PeJP NA NA +PJ030828 GPPCCHR C30H48N12O8S2 768.316 NA PeJP NA NA +PJ030829 SLEEEY C33H48N6O15 768.3178 NA PeJP NA NA +PJ030830 PVEMMY C34H52N6O10S2 768.3187 NA PeJP NA NA +PJ030831 SPNEHW C34H44N10O11 768.3191 NA PeJP NA NA +PJ030832 GGGGGGNFF C34H44N10O11 768.3192 NA PeJP NA NA +PJ030833 TCCMRR C27H52N12O8S3 768.3194 NA PeJP NA NA +MJ093715 Nannochelin C; 1,1'-Di-Me ester C38H48N4O13 768.321787 NA MeJP NA NA +PJ030834 GNEMRY C31H48N10O11S 768.3225 NA PeJP NA NA +PJ030835 SQYWW C39H44N8O9 768.3231 NA PeJP NA NA +PJ030836 GGTYWW C39H44N8O9 768.3232 NA PeJP NA NA +PJ030837 AMHHHH C32H44N14O7S 768.3239 NA PeJP NA NA +PJ030838 GSSTMMR C28H52N10O11S2 768.3259 NA PeJP NA NA +PJ030839 NNNDHR C28H44N14O12 768.3263 NA PeJP NA NA +PJ030840 GGNNDHR C28H44N14O12 768.3264 NA PeJP NA NA +PJ030841 AAQMYW C36H48N8O9S 768.3265 NA PeJP NA NA +PJ030842 SSSTTTW C32H48N8O14 768.329 NA PeJP NA NA +PJ030843 SSKMMW C33H52N8O9S2 768.3299 NA PeJP NA NA +PJ030844 GNQQHW C33H44N12O10 768.3304 NA PeJP NA NA +PJ030845 SSSTKEM C29H52N8O14S 768.3324 NA PeJP NA NA +PJ030846 PPTEYY C37H48N6O12 768.333 NA PeJP NA NA +PJ030847 PVDEFY C37H48N6O12 768.3331 NA PeJP NA NA +PJ030848 TQKMMM C30H56N8O9S3 768.3333 NA PeJP NA NA +PJ030849 GCDRRY C30H48N12O10S 768.3337 NA PeJP NA NA +PJ030850 GGPDMHR C30H48N12O10S 768.3338 NA PeJP NA NA +PJ030851 PPMMFF C38H52N6O7S2 768.3339 NA PeJP NA NA +PJ030852 GSPHWW C38H44N10O8 768.3344 NA PeJP NA NA +MJ093716 11-Taxene-2,5,7,9,10,13,20-heptol, 20-Cinnamoyl, 2,5,7,9,10,13-hexa-Ac C41H52O14 768.335706 NA MeJP NA NA +MJ093717 Zaragozic acid D3; 8',9'-Dihydro C41H52O14 768.335706 NA MeJP NA NA +PJ030853 VVEEMY C34H52N6O12S 768.3364 NA PeJP NA NA +PJ030854 PLMMMF C35H56N6O7S3 768.3373 NA PeJP NA NA +PJ030855 NMRYW C35H48N10O8S 768.3377 NA PeJP NA NA +PJ030856 GGMRYW C35H48N10O8S 768.3378 NA PeJP NA NA +PJ030857 SSQERY C31H48N10O13 768.3403 NA PeJP NA NA +PJ030858 LLMMMM C32H60N6O7S4 768.3407 NA PeJP NA NA +MJ093718 Korundamine A C47H48N2O8 768.341066 NA MeJP NA NA +MJ093719 Michellamine, 1''',2'''-Didehydro, 8'''-Me ether C47H48N2O8 768.341066 NA MeJP NA NA +PJ030859 PCCKRY C32H52N10O8S2 768.3411 NA PeJP NA NA +PJ030860 TTHHHH C32H44N14O9 768.3416 NA PeJP NA NA +PJ030861 CKFWW C40H48N8O6S 768.3418 NA PeJP NA NA +PJ030862 SSSTTMR C28H52N10O13S 768.3436 NA PeJP NA NA +PJ030863 GSKEYW C36H48N8O11 768.3443 NA PeJP NA NA +PJ030864 TCKMMR C29H56N10O8S3 768.3445 NA PeJP NA NA +PJ030865 AQKEMY C33H52N8O11S 768.3476 NA PeJP NA NA +PJ030866 GAAKEMY C33H52N8O11S 768.3477 NA PeJP NA NA +PJ030867 PPDFFF C41H48N6O9 768.3483 NA PeJP NA NA +PJ030868 APCHRW C34H48N12O7S 768.349 NA PeJP NA NA +PJ030869 SSSSSTTL C29H52N8O16 768.3501 NA PeJP NA NA +PJ030870 GTTTKMM C30H56N8O11S2 768.351 NA PeJP NA NA +PJ030871 AQEEHR C30H48N12O12 768.3515 NA PeJP NA NA +PJ030872 PPVMYY C38H52N6O9S 768.3517 NA PeJP NA NA +PJ030873 GCMFRR C31H52N12O7S2 768.3524 NA PeJP NA NA +PJ030874 VLEMMF C35H56N6O9S2 768.3551 NA PeJP NA NA +PJ030875 GSTRYW C35H48N10O10 768.3555 NA PeJP NA NA +MJ093720 3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-[6-Deoxy-?-L-glucopyranosyl-(1?4)-?-D-glucopyranoside], 6-Ac C38H56O16 768.356835 NA MeJP NA NA +MJ093721 3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-[?-L-Rhamnosyl-(1?4)-?-D-glucopyranoside], 6-Ac C38H56O16 768.356835 NA MeJP NA NA +PJ030876 GDKMRY C32H52N10O10S 768.3589 NA PeJP NA NA +PJ030877 SKYWW C40H48N8O8 768.3595 NA PeJP NA NA +PJ030878 GGGVFFW C40H48N8O8 768.3596 NA PeJP NA NA +MJ093722 Isopyruthaldine C44H52N2O10 768.362195 NA MeJP NA NA +PJ030879 GDEHRR C29H48N14O11 768.3627 NA PeJP NA NA +PJ030880 GGGGGATHR C29H48N14O11 768.3628 NA PeJP NA NA +PJ030881 AAKMYW C37H52N8O8S 768.3629 NA PeJP NA NA +PJ030882 SDKKEY C33H52N8O13 768.3654 NA PeJP NA NA +PJ030883 PCKKMY C34H56N8O8S2 768.3663 NA PeJP NA NA +PJ030884 SSPHRW C34H48N12O9 768.3667 NA PeJP NA NA +PJ030885 AAEHRW C34H48N12O9 768.3668 NA PeJP NA NA +PJ030886 STTTTKM C30H56N8O13S 768.3688 NA PeJP NA NA +PJ030887 PVVEYY C38H52N6O11 768.3694 NA PeJP NA NA +PJ030888 TKKMMM C31H60N8O8S3 768.3697 NA PeJP NA NA +PJ030889 GSMRRY C31H52N12O9S 768.3701 NA PeJP NA NA +PJ030890 LQHWW C39H48N10O7 768.3708 NA PeJP NA NA +PJ030891 TLLEMY C35H56N6O11S 768.3728 NA PeJP NA NA +PJ030892 APKMHW C36H52N10O7S 768.3742 NA PeJP NA NA +PJ030893 SSKERY C32H52N10O12 768.3766 NA PeJP NA NA +PJ030894 AAPPEER C32H52N10O12 768.3767 NA PeJP NA NA +PJ030895 GKMMFR C33H56N10O7S2 768.3775 NA PeJP NA NA +PJ030896 DHRRW C33H48N14O8 768.378 NA PeJP NA NA +C18097 Deltorphin C C37H52N8O10 768.3806 NA KEGG NA NA +PJ030897 ATTKYW C37H52N8O10 768.3807 NA PeJP NA NA +PJ030898 PTCHRR C30H52N14O8S 768.3814 NA PeJP NA NA +PJ030899 AKKEMY C34H56N8O10S 768.384 NA PeJP NA NA +PJ030900 GGPPPTLM C34H56N8O10S 768.3841 NA PeJP NA NA +PJ030901 PPVFFY C42H52N6O8 768.3847 NA PeJP NA NA +PJ030902 SSTRRY C31H52N12O11 768.3879 NA PeJP NA NA +PJ030903 PVLMFY C39H56N6O8S 768.3881 NA PeJP NA NA +PJ030904 VLLMMY C36H60N6O8S2 768.3914 NA PeJP NA NA +PJ030905 PPVDRW C36H52N10O9 768.3919 NA PeJP NA NA +MJ093723 3,15,23-Trihydroxyspirost-5-en-26-one, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C39H60O15 768.393221 NA MeJP NA NA +MJ093724 3-Hydroxypregna-5,16-dien-20-one, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C39H60O15 768.393221 NA MeJP NA NA +PJ030906 ATKMRY C33H56N10O9S 768.3953 NA PeJP NA NA +PJ030907 APPLWW C41H52N8O7 768.3959 NA PeJP NA NA +PJ030908 ATEHRR C30H52N14O10 768.3991 NA PeJP NA NA +PJ030909 PCKKFF C38H56N8O7S 768.3993 NA PeJP NA NA +PJ030910 TTKKEY C34H56N8O12 768.4018 NA PeJP NA NA +PJ030911 CLKKMF C35H60N8O7S2 768.4027 NA PeJP NA NA +PJ030912 GTLHRW C35H52N12O8 768.4031 NA PeJP NA NA +PJ030913 GGGKKHW C35H52N12O8 768.4032 NA PeJP NA NA +MJ093725 Antibiotic RPI 856C C39H56N6O10 768.405792 NA MeJP NA NA +PJ030914 PTLLYY C39H56N6O10 768.4058 NA PeJP NA NA +PJ030915 PTKMHR C32H56N12O8S 768.4065 NA PeJP NA NA +PJ030916 LKHWW C40H52N10O6 768.4072 NA PeJP NA NA +MJ093726 Goniodomin A C43H60O12 768.408477 NA MeJP NA NA +MJ093727 Pseudovinblastinediol C44H56N4O8 768.409814 NA MeJP NA NA +MJ093728 Vinblastine; O17-De-Ac C44H56N4O8 768.409814 NA MeJP NA NA +PJ030917 TTTKRY C33H56N10O11 768.413 NA PeJP NA NA +PJ030918 GGAPPDKK C33H56N10O11 768.4131 NA PeJP NA NA +PJ030919 GPHFRR C34H52N14O7 768.4144 NA PeJP NA NA +PJ030920 ALQKFY C38H56N8O9 768.417 NA PeJP NA NA +PJ030921 PPLKEW C38H56N8O9 768.4171 NA PeJP NA NA +PJ030922 GLMHRR C31H56N14O7S 768.4178 NA PeJP NA NA +3922 aurein 1,2, GLFDIIKKIAESFG 768.4199 MH2+ Inhouse_peptide NA peptide +PJ030923 SLKKMY C35H60N8O9S 768.4204 NA PeJP NA NA +PJ030924 PVLFFF C43H56N6O7 768.4211 NA PeJP NA NA +PJ030925 SLKEHR C32H56N12O10 768.4243 NA PeJP NA NA +PJ030926 VLLMFF C40H60N6O7S 768.4245 NA PeJP NA NA +PJ030927 PPTLRW C37H56N10O8 768.4283 NA PeJP NA NA +MJ093729 Spirost-5-ene-3,17,26-triol, 26-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C40H64O14 768.429606 NA MeJP NA NA +PJ030928 GPPVLMR C34H60N10O8S 768.4317 NA PeJP NA NA +PJ030929 STLHRR C31H56N14O9 768.4355 NA PeJP NA NA +PJ030930 SPPVLKE C35H60N8O11 768.4382 NA PeJP NA NA +PJ030931 KFRRY C36H56N12O7 768.4395 NA PeJP NA NA +PJ030932 VVLLYY C40H60N6O9 768.4422 NA PeJP NA NA +PJ030933 PPLMRR C33H60N12O7S 768.4429 NA PeJP NA NA +MJ093730 Petrosolic acid C44H64O11 768.444862 NA MeJP NA NA +PJ030934 GPQRRR C30H56N16O8 768.4467 NA PeJP NA NA +PJ030935 GGAPRRR C30H56N16O8 768.4468 NA PeJP NA NA +PJ030936 AAPLLER C34H60N10O10 768.4494 NA PeJP NA NA +PJ030937 PLLLQW C39H60N8O8 768.4534 NA PeJP NA NA +PJ030938 GAPLLLW C39H60N8O8 768.4535 NA PeJP NA NA +PJ030939 APPLLKM C36H64N8O8S 768.4568 NA PeJP NA NA +PJ030940 PVLERR C33H60N12O9 768.4607 NA PeJP NA NA +PJ030941 PVVLRW C38H60N10O7 768.4647 NA PeJP NA NA +MJ093731 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Xylopyranoside, 6-O-?-L-rhamnopyranoside C41H68O13 768.465992 NA MeJP NA NA +MJ093732 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside] C41H68O13 768.465992 NA MeJP NA NA +MJ093733 22,25-Epoxycycloartane-3,16,28-triol, 3-O-?-L-Arabinopyranoside, 28-O-?-D-galactopyranoside C41H68O13 768.465992 NA MeJP NA NA +MJ093734 3,11,16-Trihydroxycycloartan-24-one, 3-O-?-D-Glucopyranoside, 16-O-?-L-arabinopyranoside C41H68O13 768.465992 NA MeJP NA NA +MJ093735 3,15,22-Trihydroxy-6-hopanone, 3-O-?-L-Arabinopyranoside, 15-O-?-D-glucopyranoside C41H68O13 768.465992 NA MeJP NA NA +MJ093736 8,16,26,34,36-Pentahydroxy-2,6,10,14,18,24,28,32-hentetracontaneoctone C41H68O13 768.465992 NA MeJP NA NA +MJ093737 Bacoside A C41H68O13 768.465992 NA MeJP NA NA +MJ093738 Bafilomycin A1; O21-(?-L-Rhamnopyranoside) C41H68O13 768.465992 NA MeJP NA NA +MJ093739 Cycloart-24-ene-3,16,22,28-tetrol, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranoside C41H68O13 768.465992 NA MeJP NA NA +C08969 Pittoside A C41H68O13 768.466 NA KEGG NA NA +C16784 HMT-toxin C41H68O13 768.466 NA KEGG NA NA +PJ030942 LLKKMH C35H64N10O7S 768.468 NA PeJP NA NA +PJ030943 PVNKRR C32H60N14O8 768.4719 NA PeJP NA NA +PJ030944 GPLLLKE C36H64N8O10 768.4746 NA PeJP NA NA +MJ093740 1,2-Di-O-acylglycerols; Glycerol 1-(3Z,6Z,9Z,12Z,15Z-octadecapentaenoate) 2-(6Z,9Z,12Z,15Z-octadecatetraenoate), 3-O-?-D-Galactopyranoside (2R-) C45H68O10 768.481248 NA MeJP NA NA +PJ030945 GPKRRR C31H60N16O7 768.4831 NA PeJP NA NA +PJ030946 GPTLLLR C35H64N10O9 768.4858 NA PeJP NA NA +PJ030947 PLLLKW C40H64N8O7 768.4898 NA PeJP NA NA +HMDB10595 PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C42H73O10P 768.494141 NA HMDB2010 NA NA +HMDB10651 PG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) C42H73O10P 768.494141 NA HMDB2010 NA NA +HMDB10652 PG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) C42H73O10P 768.494141 NA HMDB2010 NA NA +HMDB10665 PG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) C42H73O10P 768.494141 NA HMDB2010 NA NA +HMDB10680 PG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) C42H73O10P 768.494141 NA HMDB2010 NA NA +PJ030948 PLQKKR C34H64N12O8 768.497 NA PeJP NA NA +MJ093741 Dammar-24-ene-3,12,20-triol, 20-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C42H72O12 768.502377 NA MeJP NA NA +MJ093742 Dunaimycin D2S; 8-Deglycosyloxy C42H72O12 768.502377 NA MeJP NA NA +PJ030949 SPVLLLK C37H68N8O9 768.511 NA PeJP NA NA +PJ030950 AALLLLR C36H68N10O8 768.5222 NA PeJP NA NA +PJ030951 VLLLRR C35H68N12O7 768.5334 NA PeJP NA NA +PJ030952 AVLLLLK C38H72N8O8 768.5473 NA PeJP NA NA +PJ030953 GLLLLLK C38H72N8O8 768.5474 NA PeJP NA NA +EUR1111 SM(d18:1/22:3) [M-H-CH3]- C45H87N2O6P 768.614526 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1111 SM(d18:1/22:3) [M-H-CH3]- C45H87N2O6P 768.614526 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1111 SM(d18:1/22:3) [M-H-CH3]- C45H87N2O6P 768.614526 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1111 SM(d18:1/22:3) [M-H-CH3]- C45H87N2O6P 768.614526 masses lipides attendues Inhousejuil11 NA NA +MJ093743 Cericerol II; 2Z,6Z-Isomer, 24-(26-hydroxyhexacosanoyl) C51H92O4 768.699561 NA MeJP NA NA +MJ093744 Dolichols; Dolichol 11 C55H92O 768.714817 NA MeJP NA NA +7677 ACE inhibitor from b-CN (46-59), rat KFHSGIQSEPKAIP 768.904 MH2+ Inhouse_peptide NA peptide +PJ030954 SCCCCDH C25H39N9O11S4 769.1652 NA PeJP NA NA +PJ030955 PCCCDDD C26H39N7O14S3 769.1718 NA PeJP NA NA +PJ030956 ACCCCMH C26H43N9O8S5 769.1838 NA PeJP NA NA +PJ030957 GCDDDDM C26H39N7O16S2 769.1895 NA PeJP NA NA +PJ030958 SCCNNDD C25H39N9O15S2 769.2007 NA PeJP NA NA +PJ030959 GGGGSCCDD C25H39N9O15S2 769.2008 NA PeJP NA NA +PJ030960 SSCCCMH C26H43N9O10S4 769.2016 NA PeJP NA NA +PJ030961 CCDDEW C30H39N7O13S2 769.2048 NA PeJP NA NA +PJ030962 SSCDDDE C26H39N7O18S 769.2073 NA PeJP NA NA +PJ030963 SPCCDDM C27H43N7O13S3 769.2081 NA PeJP NA NA +PJ030964 GCCNNEM C26H43N9O12S3 769.2194 NA PeJP NA NA +PJ030965 GSDDDMM C27H43N7O15S2 769.2259 NA PeJP NA NA +PJ030966 GPCCEMM C28H47N7O10S4 769.2268 NA PeJP NA NA +PJ030967 GCCCNDR C25H43N11O11S3 769.2306 NA PeJP NA NA +PJ030968 CCNNMW C30H43N9O9S3 769.2346 NA PeJP NA NA +PJ030969 SSCNNDM C26H43N9O14S2 769.2371 NA PeJP NA NA +PJ030970 PCCCCNK C27H47N9O9S4 769.238 NA PeJP NA NA +PJ030971 NDDDEY C30H39N7O17 769.2403 NA PeJP NA NA +PJ030972 SCDEMW C31H43N7O12S2 769.2411 NA PeJP NA NA +PJ030973 PCCMMW C32H47N7O7S4 769.242 NA PeJP NA NA +PJ030974 SSSDDEM C27H43N7O17S 769.2436 NA PeJP NA NA +PJ030975 NDEMMM C28H47N7O12S3 769.2445 NA PeJP NA NA +PJ030976 GSCDDHH C28H39N11O13S 769.245 NA PeJP NA NA +PJ030977 APCCCHH C29H43N11O8S3 769.2459 NA PeJP NA NA +PJ030978 GPDDDDH C29H39N9O16 769.2515 NA PeJP NA NA +PJ030979 GSSCCQW C30H43N9O11S2 769.2524 NA PeJP NA NA +PJ030980 GSSSSCNE C26H43N9O16S 769.2549 NA PeJP NA NA +PJ030981 GDDDYW C34H39N7O14 769.2555 NA PeJP NA NA +PJ030982 CCEEMR C27H47N9O11S3 769.2557 NA PeJP NA NA +PJ030983 CDDMMR C27H47N9O11S3 769.2558 NA PeJP NA NA +PJ030984 PCCDFW C35H43N7O9S2 769.2564 NA PeJP NA NA +PJ030985 GSPCDEY C31H43N7O14S 769.2589 NA PeJP NA NA +PJ030986 GDMMMW C32H47N7O9S3 769.2598 NA PeJP NA NA +PJ030987 GSSEEMM C28H47N7O14S2 769.2623 NA PeJP NA NA +PJ030988 GPTCMMM C29H51N7O9S4 769.2631 NA PeJP NA NA +PJ030989 CNEMHH C29H43N11O10S2 769.2636 NA PeJP NA NA +PJ030990 GSCCNMR C26H47N11O10S3 769.267 NA PeJP NA NA +PJ030991 CCNHFF C34H43N9O8S2 769.2676 NA PeJP NA NA +PJ030992 SSSSCNW C30H43N9O13S 769.2701 NA PeJP NA NA +PJ030993 GGGGGGDMY C30H43N9O13S 769.2702 NA PeJP NA NA +PJ030994 CCCQKW C31H47N9O8S3 769.271 NA PeJP NA NA +PJ030995 SSSSSSND C26H43N9O18 769.2726 NA PeJP NA NA +PJ030996 SSSNNMM C27H47N9O13S2 769.2735 NA PeJP NA NA +PJ030997 SPCDYW C35H43N7O11S 769.2742 NA PeJP NA NA +PJ030998 CCDHHR C28H43N13O9S2 769.2749 NA PeJP NA NA +PJ030999 SSSPDDY C31H43N7O16 769.2766 NA PeJP NA NA +PJ031000 SNEEEY C31H43N7O16 769.2767 NA PeJP NA NA +PJ031001 SSEMMW C32H47N7O11S2 769.2775 NA PeJP NA NA +PJ031002 GCMHHW C33H43N11O7S2 769.2789 NA PeJP NA NA +PJ031003 SSSTEEM C28H47N7O16S 769.28 NA PeJP NA NA +PJ031004 TQEMMM C29H51N7O11S3 769.2809 NA PeJP NA NA +PJ031005 GSSDMHH C29H43N11O12S 769.2814 NA PeJP NA NA +PJ031006 MMYYY C37H47N5O9S2 769.2815 NA PeJP NA NA +PJ031007 SSSCCQR C26H47N11O12S2 769.2847 NA PeJP NA NA +PJ031008 GCNQYW C34H43N9O10S 769.2854 NA PeJP NA NA +PJ031009 SDDDRY C30H43N9O15 769.2879 NA PeJP NA NA +PJ031010 GSSCCKW C31H47N9O10S2 769.2888 NA PeJP NA NA +PJ031011 CEFWW C39H43N7O8S 769.2894 NA PeJP NA NA +PJ031012 GSSSSSQM C27H47N9O15S 769.2913 NA PeJP NA NA +PJ031013 GSEEYW C35H43N7O13 769.2919 NA PeJP NA NA +PJ031014 SDMMMR C28H51N9O10S3 769.2921 NA PeJP NA NA +PJ031015 APCMYW C36H47N7O8S2 769.2928 NA PeJP NA NA +MJ093745 Antibiotic IT 62B C39H47NO15 769.294569 NA MeJP NA NA +MJ093746 Rifamycin Y C39H47NO15 769.294569 NA MeJP NA NA +PJ031016 AQEEMY C32H47N7O13S 769.2953 NA PeJP NA NA +PJ031017 DFYYY C40H43N5O11 769.2959 NA PeJP NA NA +PJ031018 ATMMMW C33H51N7O8S3 769.2961 NA PeJP NA NA +PJ031019 SCLMMW C33H51N7O8S3 769.2962 NA PeJP NA NA +PJ031020 STCHHW C33H43N11O9S 769.2966 NA PeJP NA NA +PJ031021 GTTTEMM C29H51N7O13S2 769.2986 NA PeJP NA NA +PJ031022 SSSSEHH C29H43N11O14 769.2991 NA PeJP NA NA +PJ031023 GGGGGAEEH C29H43N11O14 769.2992 NA PeJP NA NA +PJ031024 VQMMMM C30H55N7O8S4 769.2995 NA PeJP NA NA +PJ031025 CCNQFR C30H47N11O9S2 769.3 NA PeJP NA NA +PJ031026 GSSSSSCR C26H47N11O14S 769.3025 NA PeJP NA NA +PJ031027 SSNNYW C34H43N9O12 769.3031 NA PeJP NA NA +PJ031028 GGGGSSYW C34H43N9O12 769.3032 NA PeJP NA NA +PJ031029 GTCCCKR C27H51N11O9S3 769.3034 NA PeJP NA NA +PJ031030 PPCMHW C35H47N9O7S2 769.304 NA PeJP NA NA +PJ031031 GDEMRY C31H47N9O12S 769.3065 NA PeJP NA NA +PJ031032 SEYWW C39H43N7O10 769.3072 NA PeJP NA NA +PJ031033 CCCKKW C32H51N9O7S3 769.3074 NA PeJP NA NA +PJ031034 SSSSSSTQ C27H47N9O17 769.309 NA PeJP NA NA +PJ031035 SSSCQKM C28H51N9O12S2 769.3099 NA PeJP NA NA +PJ031036 NNDDHR C28H43N13O13 769.3104 NA PeJP NA NA +PJ031037 AAEMYW C36H47N7O10S 769.3105 NA PeJP NA NA +PJ031038 GGPDMFF C36H47N7O10S 769.3106 NA PeJP NA NA +PJ031039 AMMMMR C29H55N9O7S4 769.3108 NA PeJP NA NA +PJ031040 SCMHHR C29H47N13O8S2 769.3112 NA PeJP NA NA +PJ031041 SDKEEY C32H47N7O15 769.313 NA PeJP NA NA +PJ031042 TTTMMW C33H51N7O10S2 769.3139 NA PeJP NA NA +PJ031043 GNQEHW C33H43N11O11 769.3144 NA PeJP NA NA +PJ031044 MFFYY C41H47N5O8S 769.3145 NA PeJP NA NA +PJ031045 STTTTEM C29H51N7O15S 769.3164 NA PeJP NA NA +PJ031046 TKEMMM C30H55N7O10S3 769.3173 NA PeJP NA NA +PJ031047 SCNQRY C30H47N11O11S 769.3177 NA PeJP NA NA +PJ031048 GGSCQRY C30H47N11O11S 769.3178 NA PeJP NA NA +PJ031049 SSSCCKR C27H51N11O11S2 769.3211 NA PeJP NA NA +PJ031050 DMRYW C35H47N9O9S 769.3218 NA PeJP NA NA +PJ031051 SSEERY C31H47N9O14 769.3243 NA PeJP NA NA +PJ031052 PTCMRY C32H51N9O9S2 769.3251 NA PeJP NA NA +PJ031053 GEMMFR C32H51N9O9S2 769.3252 NA PeJP NA NA +PJ031054 PNEHHH C32H43N13O10 769.3256 NA PeJP NA NA +PJ031055 CLYWW C40H47N7O7S 769.3258 NA PeJP NA NA +PJ031056 GSSSSSKM C28H51N9O14S 769.3276 NA PeJP NA NA +PJ031057 ATTEYW C36H47N7O12 769.3283 NA PeJP NA NA +PJ031058 TTMMMR C29H55N9O9S3 769.3285 NA PeJP NA NA +PJ031059 GSPCNHR C29H47N13O10S 769.329 NA PeJP NA NA +PJ031060 GVMMFW C37H51N7O7S2 769.3292 NA PeJP NA NA +PJ031061 NQHWW C37H43N11O8 769.3296 NA PeJP NA NA +MJ093747 Streptovaricin; Streptovaricin C C40H51NO14 769.330955 NA MeJP NA NA +PJ031062 AKEEMY C33H51N7O12S 769.3317 NA PeJP NA NA +PJ031063 VYYYY C41H47N5O10 769.3323 NA PeJP NA NA +PJ031064 AQMHHF C34H47N11O8S 769.333 NA PeJP NA NA +PJ031065 SSTTLMM C30H55N7O12S2 769.335 NA PeJP NA NA +7903 peptide from bovine b-lactoglobulin WYSLAM 769.3354 antioxidative Inhouse_peptide NA peptide +PJ031066 GSSSNRY C30H47N11O13 769.3355 NA PeJP NA NA +PJ031067 VKMMMM C31H59N7O7S4 769.3359 NA PeJP NA NA +PJ031068 CCNKFR C31H51N11O8S2 769.3364 NA PeJP NA NA +PJ031069 GLEEHW C35H47N9O11 769.3395 NA PeJP NA NA +PJ031070 GGAAPPDW C35H47N9O11 769.3396 NA PeJP NA NA +PJ031071 MMFRW C36H51N9O6S2 769.3404 NA PeJP NA NA +PJ031072 GPHHHW C36H43N13O7 769.3409 NA PeJP NA NA +PJ031073 ATEMRY C32H51N9O11S 769.3429 NA PeJP NA NA +PJ031074 AAPYYW C40H47N7O9 769.3435 NA PeJP NA NA +PJ031075 GPTFYW C40H47N7O9 769.3436 NA PeJP NA NA +PJ031076 ACHHFR C33H47N13O7S 769.3442 NA PeJP NA NA +PJ031077 SSSSSSTK C28H51N9O16 769.3454 NA PeJP NA NA +PJ031078 SSSCKKM C29H55N9O11S2 769.3463 NA PeJP NA NA +PJ031079 SNQEHR C29H47N13O12 769.3467 NA PeJP NA NA +PJ031080 GGGGTEHR C29H47N13O12 769.3468 NA PeJP NA NA +PJ031081 GTLMYW C37H51N7O9S 769.3469 NA PeJP NA NA +PJ031082 FFFFY C45H47N5O7 769.3476 NA PeJP NA NA +PJ031083 TTKEEY C33H51N7O14 769.3494 NA PeJP NA NA +PJ031084 PTKMMY C34H55N7O9S2 769.3503 NA PeJP NA NA +PJ031085 GNKEHW C34H47N11O10 769.3508 NA PeJP NA NA +PJ031086 SCNKRY C31H51N11O10S 769.3541 NA PeJP NA NA +PJ031087 GGSPPPCR C31H51N11O10S 769.3542 NA PeJP NA NA +PJ031088 LEHWW C39H47N9O8 769.3548 NA PeJP NA NA +PJ031089 SPLMHW C36H51N9O8S 769.3582 NA PeJP NA NA +PJ031090 ASSSQKY C32H51N9O13 769.3606 NA PeJP NA NA +PJ031091 TTTERY C32H51N9O13 769.3607 NA PeJP NA NA +PJ031092 GLMMRY C33H55N9O8S2 769.3615 NA PeJP NA NA +PJ031093 GSQHRW C33H47N13O9 769.362 NA PeJP NA NA +PJ031094 STTLYW C37H51N7O11 769.3647 NA PeJP NA NA +PJ031095 AQQMHR C30H51N13O9S 769.3654 NA PeJP NA NA +PJ031096 NKHWW C38H47N11O7 769.366 NA PeJP NA NA +MJ093748 4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 5-(3-Dimethylamino-2-hydroxy-3-phenylpropanoyl), 2,7,9,10,13-penta-Ac C41H55NO13 769.36734 NA MeJP NA NA +MJ093749 4(20),12-Taxadiene-2,5,7,9,10,11,13-heptol, 5-(3-Dimethylamino-3-phenylpropanoyl)(R-), 2,7,9,10,13-penta-Ac C41H55NO13 769.36734 NA MeJP NA NA +MJ093750 Spicataxine; O9-Ac, 7?-acetoxy C41H55NO13 769.36734 NA MeJP NA NA +PJ031097 SLKEMY C34H55N7O11S 769.368 NA PeJP NA NA +PJ031098 VTKEMY C34H55N7O11S 769.3681 NA PeJP NA NA +PJ031099 AKMHHF C35H51N11O7S 769.3694 NA PeJP NA NA +PJ031100 SLEEHR C31H51N11O12 769.3719 NA PeJP NA NA +PJ031101 PVMMHR C32H55N11O7S2 769.3728 NA PeJP NA NA +PJ031102 SPHHHR C32H47N15O8 769.3732 NA PeJP NA NA +PJ031103 SVLEHW C36H51N9O10 769.3759 NA PeJP NA NA +PJ031104 GNMHRR C29H51N15O8S 769.3766 NA PeJP NA NA +PJ031105 STLMRY C33H55N9O10S 769.3793 NA PeJP NA NA +PJ031106 AALFYW C41H51N7O8 769.3799 NA PeJP NA NA +PJ031107 GGPVFFF C41H51N7O8 769.38 NA PeJP NA NA +PJ031108 SNKEHR C30H51N13O11 769.3831 NA PeJP NA NA +PJ031109 GGGGAAPQR C30H51N13O11 769.3832 NA PeJP NA NA +PJ031110 PCLKFY C38H55N7O8S 769.3833 NA PeJP NA NA +PJ031111 SSSTLLY C34H55N7O13 769.3858 NA PeJP NA NA +PJ031112 VVKMMY C35H59N7O8S2 769.3867 NA PeJP NA NA +PJ031113 SPPQRW C35H51N11O9 769.3871 NA PeJP NA NA +PJ031114 PPTNRW C35H51N11O9 769.3872 NA PeJP NA NA +PJ031115 VVEMHR C32H55N11O9S 769.3905 NA PeJP NA NA +MJ093751 Segetalin C C40H51N9O7 769.391145 NA MeJP NA NA +PJ031116 GPPKWW C40H51N9O7 769.3912 NA PeJP NA NA +PJ031117 SSQHRR C29H51N15O10 769.3944 NA PeJP NA NA +PJ031118 ALLMHW C37H55N9O7S 769.3946 NA PeJP NA NA +PJ031119 GSSTKKY C33H55N9O12 769.397 NA PeJP NA NA +PJ031120 VVVTTDH C33H55N9O12 769.3971 NA PeJP NA NA +PJ031121 GSKHRW C34H51N13O8 769.3984 NA PeJP NA NA +MJ093752 Hymenamide D C38H55N7O10 769.401041 NA MeJP NA NA +PJ031122 SPLKYY C38H55N7O10 769.4011 NA PeJP NA NA +PJ031123 PPNMRR C31H55N13O8S 769.4018 NA PeJP NA NA +PJ031124 APPLLEM C35H59N7O10S 769.4044 NA PeJP NA NA +PJ031125 PPVVVEM C35H59N7O10S 769.4045 NA PeJP NA NA +PJ031126 GSPPKER C32H55N11O11 769.4083 NA PeJP NA NA +PJ031127 ALHHHR C33H51N15O7 769.4096 NA PeJP NA NA +PJ031128 TTLLHW C37H55N9O9 769.4123 NA PeJP NA NA +PJ031129 ACKHRR C30H55N15O7S 769.413 NA PeJP NA NA +PJ031130 TCKKKY C34H59N9O9S 769.4157 NA PeJP NA NA +PJ031131 PVNERR C31H55N13O10 769.4195 NA PeJP NA NA +PJ031132 VVKMFF C39H59N7O7S 769.4197 NA PeJP NA NA +PJ031133 GPLLLEE C35H59N7O12 769.4222 NA PeJP NA NA +PJ031134 SPPKRW C36H55N11O8 769.4235 NA PeJP NA NA +PJ031135 GAAPLRW C36H55N11O8 769.4236 NA PeJP NA NA +MJ093753 Carbomycin B; 4''-O-De(3-methylbutanoyl), 4''-O-butanoyl, O-de-Ac C39H63NO14 769.424855 NA MeJP NA NA +C12152 Niddamycin C39H63NO14 769.4249 NA KEGG NA NA +PJ031136 TLLMHR C33H59N11O8S 769.4269 NA PeJP NA NA +PJ031137 GPERRR C30H55N15O9 769.4308 NA PeJP NA NA +PJ031138 SSTLLLH C34H59N9O11 769.4334 NA PeJP NA NA +PJ031139 GGGPLLKE C34H59N9O11 769.4335 NA PeJP NA NA +PJ031140 GPVRRW C35H55N13O7 769.4348 NA PeJP NA NA +PJ031141 ALLKYY C39H59N7O9 769.4374 NA PeJP NA NA +PJ031142 PLLLEW C39H59N7O9 769.4375 NA PeJP NA NA +PJ031143 AKKMHR C32H59N13O7S 769.4381 NA PeJP NA NA +MJ093754 Selamectin C43H63NO11 769.440111 NA MeJP NA NA +PJ031144 SPPLLLM C36H63N7O9S 769.4408 NA PeJP NA NA +PJ031145 PLQKER C33H59N11O10 769.4447 NA PeJP NA NA +PJ031146 PRRRW C34H55N15O6 769.446 NA PeJP NA NA +PJ031147 PVLQKW C38H59N9O8 769.4487 NA PeJP NA NA +PJ031148 GPPLKKM C35H63N9O8S 769.4521 NA PeJP NA NA +2994 kinases inhibitor KKALRRQEIVDAL 769.45545 MH2+ Inhouse_peptide NA peptide +3021 kinases inhibitor KKALRRQELVDAL 769.45545 MH2+ Inhouse_peptide NA peptide +PJ031149 PVDKRR C32H59N13O9 769.4559 NA PeJP NA NA +PJ031150 SPVLLLE C36H63N7O11 769.4586 NA PeJP NA NA +PJ031151 APLKRW C37H59N11O7 769.4599 NA PeJP NA NA +MJ093755 Microginin 478 C41H63N5O9 769.462578 NA MeJP NA NA +PJ031152 VKKKMH C34H63N11O7S 769.4633 NA PeJP NA NA +PJ031153 SPVRRR C31H59N15O8 769.4671 NA PeJP NA NA +PJ031154 GPVLKKE C35H63N9O10 769.4698 NA PeJP NA NA +PJ031155 APPLLLF C40H63N7O8 769.4738 NA PeJP NA NA +MJ093756 Pohlianin A; 2-L-Leucine analogue C40H63N7O8 769.473812 NA MeJP NA NA +PJ031156 APPIILF C40H63N7O8 769.4739 NA PeJP NA NA +PJ031157 APLLLLM C37H67N7O8S 769.4772 NA PeJP NA NA +PJ031158 PLKKER C34H63N11O9 769.4811 NA PeJP NA NA +PJ031159 PVLKKW C39H63N9O7 769.4851 NA PeJP NA NA +PJ031160 PTLKRR C33H63N13O8 769.4923 NA PeJP NA NA +PJ031161 GLLLLLE C37H67N7O10 769.495 NA PeJP NA NA +PJ031162 GLLRRR C32H63N15O7 769.5035 NA PeJP NA NA +PJ031163 APTLLKK C36H67N9O9 769.5062 NA PeJP NA NA +PJ031164 LLLLLW C41H67N7O7 769.5102 NA PeJP NA NA +PJ031165 LLLQKR C35H67N11O8 769.5174 NA PeJP NA NA +PJ031166 VVLKRR C34H67N13O7 769.5287 NA PeJP NA NA +PJ031167 SVLLLLL C38H71N7O9 769.5314 NA PeJP NA NA +PJ031168 GVLLLKK C37H71N9O8 769.5426 NA PeJP NA NA +PJ031169 LLLKKR C36H71N11O7 769.5538 NA PeJP NA NA +HMDB07947 PC(15:0/20:3(5Z,8Z,11Z)) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB07948 PC(15:0/20:3(8Z,11Z,14Z)) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB08363 PC(20:3(5Z,8Z,11Z)/15:0) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB08396 PC(20:3(8Z,11Z,14Z)/15:0) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB08975 PE(16:1(9Z)/22:2(13Z,16Z)) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB09001 PE(18:0/20:3(5Z,8Z,11Z)) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB09002 PE(18:0/20:3(8Z,11Z,14Z)) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB09033 PE(18:1(11Z)/20:2(11Z,14Z)) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB09066 PE(18:1(9Z)/20:2(11Z,14Z)) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB09098 PE(18:2(9Z,12Z)/20:1(11Z)) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB09130 PE(18:3(6Z,9Z,12Z)/20:0) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB09163 PE(18:3(9Z,12Z,15Z)/20:0) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB09226 PE(20:0/18:3(6Z,9Z,12Z)) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB09227 PE(20:0/18:3(9Z,12Z,15Z)) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB09258 PE(20:1(11Z)/18:2(9Z,12Z)) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB09289 PE(20:2(11Z,14Z)/18:1(11Z)) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB09290 PE(20:2(11Z,14Z)/18:1(9Z)) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB09321 PE(20:3(5Z,8Z,11Z)/18:0) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB09354 PE(20:3(8Z,11Z,14Z)/18:0) C43H80NO8P 769.562134 NA HMDB2010 NA NA +HMDB09551 PE(22:2(13Z,16Z)/16:1(9Z)) C43H80NO8P 769.562134 NA HMDB2010 NA NA +EUR971 PC 36:3 [M-H-CH3]- C44H82NO8P 769.562157 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR971 PC 36:3 [M-H-CH3]- C44H82NO8P 769.562157 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR971 PC 36:3 [M-H-CH3]- C44H82NO8P 769.562157 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR971 PC 36:3 [M-H-CH3]- C44H82NO8P 769.562157 masses lipides attendues Inhousejuil11 NA NA +HMDB08095 PC(18:1(11Z)/P-18:1(11Z)) C44H84NO7P 769.598511 NA HMDB2010 NA NA +HMDB08096 PC(18:1(11Z)/P-18:1(9Z)) C44H84NO7P 769.598511 NA HMDB2010 NA NA +HMDB08128 PC(18:1(9Z)/P-18:1(11Z)) C44H84NO7P 769.598511 NA HMDB2010 NA NA +HMDB08129 PC(18:1(9Z)/P-18:1(9Z)) C44H84NO7P 769.598511 NA HMDB2010 NA NA +HMDB08160 PC(18:2(9Z,12Z)/P-18:0) C44H84NO7P 769.598511 NA HMDB2010 NA NA +HMDB08357 PC(20:2(11Z,14Z)/P-16:0) C44H84NO7P 769.598511 NA HMDB2010 NA NA +HMDB11217 PC(P-16:0/20:2(11Z,14Z)) C44H84NO7P 769.598511 NA HMDB2010 NA NA +HMDB11244 PC(P-18:0/18:2(9Z,12Z)) C44H84NO7P 769.598511 NA HMDB2010 NA NA +HMDB11275 PC(P-18:1(11Z)/18:1(11Z)) C44H84NO7P 769.598511 NA HMDB2010 NA NA +HMDB11276 PC(P-18:1(11Z)/18:1(9Z)) C44H84NO7P 769.598511 NA HMDB2010 NA NA +HMDB11308 PC(P-18:1(9Z)/18:1(11Z)) C44H84NO7P 769.598511 NA HMDB2010 NA NA +HMDB11309 PC(P-18:1(9Z)/18:1(9Z)) C44H84NO7P 769.598511 NA HMDB2010 NA NA +HMDB13425 PC(o-18:1(11Z)/18:2(9Z,12Z)) C44H84NO7P 769.598511 NA HMDB2010 NA NA +HMDB13429 PC(o-18:1(9Z)/18:2(9Z,12Z)) C44H84NO7P 769.598511 NA HMDB2010 NA NA +MJ093757 Asteriacerebroside B C44H83NO9 769.606783 NA MeJP NA NA +MJ093758 Asteriacerebroside C C44H83NO9 769.606783 NA MeJP NA NA +MJ093759 2,3-Hexahydroxydiphenoyl-scyllo-quercitol; (S)axial-form, 1,4-Bis(3,4,5-trihydroxybenzoyl) C34H26O21 770.096657 NA MeJP NA NA +MJ093760 2,3-Hexahydroxydiphenoyl-scyllo-quercitol; (S)axial-form, 1,5-Bis(3,4,5-trihydroxybenzoyl) C34H26O21 770.096657 NA MeJP NA NA +MJ093761 3,4-Hexahydroxydiphenoyl-proto-quercitol; (S)axial-form, 1,5-Bis(3,4,5-trihydroxybenzoyl) C34H26O21 770.096657 NA MeJP NA NA +FL5FAAGL0075 Kaempferol 3-(3''-p-coumaryl-6''-ferulylglucoside) C40H34O16 770.18468 69200-63-1 knapsack NA NA +FL5FADGL0039 Isorhamnetin 3-(3'',6''-di-p-coumarylglucoside) C40H34O16 770.18468 104582-31-2 knapsack NA NA +MJ093762 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 3'',6''-Bis-O-(4-Hydroxycinnamoyl) C40H34O16 770.184685 NA MeJP NA NA +MJ093763 Astragalin; 3''-O-(4-Hydroxy-Z-cinnamoyl), 6''-O-(4-hydroxy-3-methoxy-E-cinnamoyl) C40H34O16 770.184685 NA MeJP NA NA +MJ093764 Astragalin; 3''-O-(4-Hydroxycinnamoyl), 6''-O-(4-hydroxy-3-methoxycinnamoyl) C40H34O16 770.184685 NA MeJP NA NA +MJ093765 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-4-hydroxy-3-methoxycinnamoyl-(??)-?-D-glucopyranoside] C40H35O16(+) 770.184685 NA MeJP NA NA +PJ031170 SCCNDDD C25H38N8O16S2 770.1847 NA PeJP NA NA +PJ031171 GGSCCDDD C25H38N8O16S2 770.1848 NA PeJP NA NA +PJ031172 PCCCCNE C26H42N8O11S4 770.1856 NA PeJP NA NA +FL3FAGGS0006 Tricetin 7-glucoside-3'-[6''-(3-hydroxy-3-methylglutaryl)glucoside C33H38O21 770.19055 151750-87-7 knapsack NA NA +FL3FECGS0046 6-Hydroxyluteolin 6-glucoside-7-[6'''-(3-hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one C33H38O21 770.19055 165460-15-1 knapsack NA NA +FL5FAAGL0047 Kaempferol 3-rutinoside-7-glucuronide C33H38O21 770.19055 135093-73-1 knapsack NA NA +MJ093766 3',4',5,5',7-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside, 3'-O-[6-O-(3-hydroxy-3-methylglutaryl)-?-D-glucopyranoside] C33H38O21 770.190558 NA MeJP NA NA +MJ093767 3',4',5,6,7-Pentahydroxyflavone; 7-O-[3-Hydroxy-3-methylglutaroyl-(?6)-?-D-glucopyranoside], 6-O-?-D-glucopyranoside C33H38O21 770.190558 NA MeJP NA NA +MJ093768 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-D-glucuronopyranoside C33H38O21 770.190558 NA MeJP NA NA +PJ031173 GPCCCCW C30H42N8O8S4 770.2009 NA PeJP NA NA +PJ031174 GCCNDEM C26H42N8O13S3 770.2034 NA PeJP NA NA +MJ093769 Dethiotetra(methylthio)chetomin C35H42N6O6S4 770.204865 NA MeJP NA NA +FL3FAACS0082 Isovitexin 2''-O-(6'''-feruloyl)glucoside C37H38O18 770.20581 220948-77-6 knapsack NA NA +FL3FAADS0019 Isovitexin 4'-O-glucoside 2''-O-(E)-ferulate C37H38O18 770.20581 64763-02-6 knapsack NA NA +FL3FAADS0045 Isovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside;6'''-Feruloylsaponarin C37H38O18 770.20581 212271-12-0 knapsack NA NA +FL3FADCS0015 Isoscoparin 2''-(6-(E)-p-coumaroylglucoside) C37H38O18 770.20581 99445-33-7 knapsack NA NA +FL5FADGA0024 Isorhamnetin 3-(4'''-p-coumarylrobinobioside) C37H38O18 770.20581 128533-13-1 knapsack NA NA +FL5FADGS0028 Isorhamnetin 3-(6'''-p-coumaroylglucosyl)-(1->2)-rhamnoside;Quercetin 3'-methyl ether 3-(6'''-p-coumaroylglucosyl)-(1->2)-rhamnoside;3-[[6-Deoxy-2-O-[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C37H38O18 770.20581 402949-94-4 knapsack NA NA +FL5FCAGL0009 Rhamnocitrin 3-(5'''-ferulylapiosyl)-(1->2)-glucoside C37H38O18 770.20581 148210-00-8 knapsack NA NA +MJ093770 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[4-Hydroxycinnamoyl-(?4)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C37H38O18 770.205814 NA MeJP NA NA +MJ093771 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C37H38O18 770.205814 NA MeJP NA NA +MJ093772 5,6,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-D-Mannopyranosyl-(1?2)-6''-O-?-4-hydroxycinnamoyl-?-D-glucopyranoside] C37H38O18 770.205814 NA MeJP NA NA +MJ093773 Isoscoparin; 2''-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl] C37H38O18 770.205814 NA MeJP NA NA +MJ093774 Isovitexin; 2''-O-(4-Hydroxy-3-methoxycinnamoyl), 4'-O-glucopyranoside C37H38O18 770.205814 NA MeJP NA NA +MJ093775 Isovitexin; 7-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C37H38O18 770.205814 NA MeJP NA NA +MJ093776 Isovitexin; 7-O-[4-Hydroxy-3-methoxycinnamoyl-(??)-?-D-glucopyranoside] C37H38O18 770.205814 NA MeJP NA NA +MJ093777 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-L-rhamnopyranosyl-(??)-?-D-glucopyranoside] C37H39O18(+) 770.205814 NA MeJP NA NA +MJ093778 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-D-xyloside], 5-O-?-D-glucopyranoside C37H39O18(+) 770.205814 NA MeJP NA NA +MJ093779 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C37H39O18(+) 770.205814 NA MeJP NA NA +MJ093780 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside]] C37H39O18(+) 770.205814 NA MeJP NA NA +MJ093781 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C37H39O18(+) 770.205814 NA MeJP NA NA +MJ093782 2,15-Dihydroxy-16-kaurene-18,19-dioic acid, 2-O-[2-(3-Methylbutanoyl)-3,4-disulfo-?-D-glucopyranoside] C31H46O18S2 770.212556 NA MeJP NA NA +PJ031175 GCCCDDR C25H42N10O12S3 770.2146 NA PeJP NA NA +PJ031176 CCNDMW C30H42N8O10S3 770.2186 NA PeJP NA NA +PJ031177 SSCNDDM C26H42N8O15S2 770.2211 NA PeJP NA NA +PJ031178 SPCCCQM C27H46N8O10S4 770.222 NA PeJP NA NA +PJ031179 DDDDEY C30H38N6O18 770.2243 NA PeJP NA NA +FL5FABGS0012 Kaempferol 4'-methyl ether 3-(2Glc-glucosylrutinoside);3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C34H42O20 770.22694 345306-69-6 knapsack NA NA +FL5FADGA0014 Isorhamnetin 3-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside] C34H42O20 770.22694 107656-83-7 knapsack NA NA +FL5FADGA0018 Isorhamnetin 3-robinobioside-7-rhamnoside C34H42O20 770.22694 107603-09-8 knapsack NA NA +FL5FADGL0019 Isorhamnetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)glucoside C34H42O20 770.22694 - knapsack NA NA +FL5FADGL0022 Typhaneoside C34H42O20 770.22694 104472-68-6 knapsack NA NA +FL5FADGL0028 Isorhamnetin 3-rutinoside-7-rhamnoside C34H42O20 770.22694 119945-81-2 knapsack NA NA +FL5FADGL0030 Isorhamnetin 3-rutinoside-4'-rhamnoside C34H42O20 770.22694 81053-13-6 knapsack NA NA +FL5FAEGL0004 Tamarixetin 3-rutinoside-7-rhamnoside;Quercetin 4'-methyl ether 3-rutinoside-7-rhamnoside;3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one C34H42O20 770.22694 143491-30-9 knapsack NA NA +FL5FCAGS0011 Kaempferol 7-methyl ether 3-neohesperidoside-4'-glucoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C34H42O20 770.22694 446276-95-5 knapsack NA NA +FL5FCCGS0007 Rhamnetin 3-rhamninoside C34H42O20 770.22694 75183-90-3 knapsack NA NA +MJ093783 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C34H42O20 770.226943 NA MeJP NA NA +MJ093784 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C34H42O20 770.226943 NA MeJP NA NA +MJ093785 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-L-rhamnopyranoside C34H42O20 770.226943 NA MeJP NA NA +MJ093786 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1??)-?-L-rhamnopyranosyl-(1??)-?-L-rhamnopyranoside] C34H42O20 770.226943 NA MeJP NA NA +MJ093787 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-galactopyranoside] C34H42O20 770.226943 NA MeJP NA NA +MJ093788 3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside], 7-?-L-rhamnopyranoside C34H42O20 770.226943 NA MeJP NA NA +MJ093789 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2'',6''-Di-O-?-L-rhamnopyranosyl C34H42O20 770.226943 NA MeJP NA NA +MJ093790 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 4'',6''-Di-O-?-L-rhamnopyranosyl C34H42O20 770.226943 NA MeJP NA NA +MJ093791 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 4'-O-?-L-Rhamnopyranoside, 6''-O-?-L-rhamnopyranosyl C34H42O20 770.226943 NA MeJP NA NA +MJ093792 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6'',?''-Di-O-?-L-rhamnopyranosyl C34H42O20 770.226943 NA MeJP NA NA +MJ093793 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl] C34H42O20 770.226943 NA MeJP NA NA +MJ093794 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl] C34H42O20 770.226943 NA MeJP NA NA +MJ093795 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-L-Rhamnopyranosyl, 7-O-?-L-rhamnopyranoside C34H42O20 770.226943 NA MeJP NA NA +MJ093796 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-L-Rhamnopyranosyl, 7-O-?-L-rhamnopyranoside C34H42O20 770.226943 NA MeJP NA NA +MJ093797 8-Glucosyl-4',5,7-trihydroxy-3'-methoxyflavone; ?-D-Pyranose-form, O''-Rhamnosylglucoside C34H42O20 770.226943 NA MeJP NA NA +MJ093798 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C34H43O20(+) 770.226943 NA MeJP NA NA +PJ031180 DDEMMM C28H46N6O13S3 770.2285 NA PeJP NA NA +PJ031181 GSSSCCNN C25H42N10O14S2 770.2324 NA PeJP NA NA +PJ031182 SPCCCCR C26H46N10O9S4 770.2332 NA PeJP NA NA +PJ031183 ACCCWW C34H42N8O7S3 770.2339 NA PeJP NA NA +MJ093799 3,5,7-Trihydroxyflavan(4?8)-3,5,7-trihydroxyflavan(4?8)-3,5,7-trihydroxyflavan C45H38O12 770.236326 NA MeJP NA NA +MJ093800 Gnetuhainin N C45H38O12 770.236326 NA MeJP NA NA +PJ031184 GSSCCEW C30H42N8O12S2 770.2364 NA PeJP NA NA +PJ031185 CCMMHF C31H46N8O7S4 770.2373 NA PeJP NA NA +PJ031186 GSSSSCDE C26H42N8O17S 770.2389 NA PeJP NA NA +PJ031187 GSCNEMM C27H46N8O12S3 770.2398 NA PeJP NA NA +PJ031188 GCCYYY C35H42N6O10S2 770.2404 NA PeJP NA NA +MJ093801 Sucrose; 3',6'-Di-O-cinnamoyl(E,E-), 1',2,4,6-tetra-Ac C38H42O17 770.242199 NA MeJP NA NA +PJ031189 DDDEMF C31H42N6O15S 770.2429 NA PeJP NA NA +PJ031190 GCCNNNF C29H42N10O11S2 770.2476 NA PeJP NA NA +PJ031191 GGGGGGGCCF C29H42N10O11S2 770.2477 NA PeJP NA NA +PJ031192 GSCCDMR C26H46N10O11S3 770.251 NA PeJP NA NA +PJ031193 SSCCWW C34H42N8O9S2 770.2516 NA PeJP NA NA +PJ031194 SSSSCDW C30H42N8O14S 770.2541 NA PeJP NA NA +PJ031195 GGNDDMY C30H42N8O14S 770.2542 NA PeJP NA NA +PJ031196 SCNMMW C31H46N8O9S3 770.255 NA PeJP NA NA +PJ031197 SSSSSSDD C26H42N8O19 770.2566 NA PeJP NA NA +PJ031198 SSSNDMM C27H46N8O14S2 770.2575 NA PeJP NA NA +PJ031199 NNMMMM C28H50N8O9S4 770.2584 NA PeJP NA NA +PJ031200 GSCCQHH C28H42N12O10S2 770.2589 NA PeJP NA NA +PJ031201 SDEEEY C31H42N6O17 770.2607 NA PeJP NA NA +PJ031202 PDDMMY C32H46N6O12S2 770.2615 NA PeJP NA NA +MJ093802 Ecteinascidin 743; 21-Deoxy, 21-cyano C40H42N4O10S 770.262164 NA MeJP NA NA +MJ093803 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-(3,4-Dihydroxy-E-cinnamoyl), 4'-O-[?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranosyl-(1?4)-?-L-rhamnopyranoside] C35H46O19 770.263329 NA MeJP NA NA +MJ093804 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C35H46O19 770.263329 NA MeJP NA NA +MJ093805 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C35H46O19 770.263329 NA MeJP NA NA +MJ093806 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Arabinopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C35H46O19 770.263329 NA MeJP NA NA +MJ093807 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[?-D-apiofuranosyl-(1?2)]-[4-hydroxy-3-methoxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] C35H46O19 770.263329 NA MeJP NA NA +MJ093808 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[?-L-arabinopyranosyl-(1?6)][4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C35H46O19 770.263329 NA MeJP NA NA +MJ093809 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[?-L-arabinopyranosyl-(1?6)][4-hydroxy-3-methoxy-Z-cinnamoyl-(?4)]-?-D-glucopyranoside] C35H46O19 770.263329 NA MeJP NA NA +MJ093810 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C35H46O19 770.263329 NA MeJP NA NA +MJ093811 2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?3)-[?-D-apiofuranosyl-(1?6)]-[3,4-dihydroxyE-cinnamoyl-(?4)]-?-D-glucopyranoside] C35H46O19 770.263329 NA MeJP NA NA +MJ093812 Crassifolioside C35H46O19 770.263329 NA MeJP NA NA +MJ093813 Forsythoside B; 3'-Me ether C35H46O19 770.263329 NA MeJP NA NA +MJ093814 Forsythoside G C35H46O19 770.263329 NA MeJP NA NA +MJ093815 Pedicularioside A; 3''-Me ether C35H46O19 770.263329 NA MeJP NA NA +MJ093816 Purpureaside C; 3'''-Deoxy C35H46O19 770.263329 NA MeJP NA NA +PJ031203 TEEMMM C29H50N6O12S3 770.2649 NA PeJP NA NA +PJ031204 GSCNNNY C29H42N10O13S 770.2654 NA PeJP NA NA +PJ031205 PMMMMM C30H54N6O7S5 770.2658 NA PeJP NA NA +PJ031206 TCCCRW C30H46N10O8S3 770.2663 NA PeJP NA NA +MJ093817 Bisbentiamine C38H42N8O6S2 770.266872 NA MeJP NA NA +PJ031207 SSSCCER C26H46N10O13S2 770.2688 NA PeJP NA NA +PJ031208 GCNEYW C34H42N8O11S 770.2694 NA PeJP NA NA +PJ031209 CCQMMR C27H50N10O8S4 770.2696 NA PeJP NA NA +MJ093818 Yemenimycin C41H43ClN4O9 770.271856 NA MeJP NA NA +PJ031210 GSSNDEY C30H42N8O16 770.2719 NA PeJP NA NA +PJ031211 GSSTCMW C31H46N8O11S2 770.2728 NA PeJP NA NA +PJ031212 GSSSSSEM C27H46N8O16S 770.2753 NA PeJP NA NA +PJ031213 PDDDFY C35H42N6O14 770.2759 NA PeJP NA NA +PJ031214 GSSQMMM C28H50N8O11S3 770.2761 NA PeJP NA NA +PJ031215 GGGSTMMM C28H50N8O11S3 770.2762 NA PeJP NA NA +PJ031216 SSSCNHH C28H42N12O12S 770.2766 NA PeJP NA NA +PJ031217 AEEEMY C32H46N6O14S 770.2793 NA PeJP NA NA +PJ031218 PDMMMF C33H50N6O9S3 770.2802 NA PeJP NA NA +PJ031219 PCNDHW C33H42N10O10S 770.2806 NA PeJP NA NA +PJ031220 CCCMRR C26H50N12O7S4 770.2809 NA PeJP NA NA +PJ031221 NNEEEH C29H42N10O15 770.2831 NA PeJP NA NA +PJ031222 GGNEEEH C29H42N10O15 770.2832 NA PeJP NA NA +PJ031223 VEMMMM C30H54N6O9S4 770.2835 NA PeJP NA NA +PJ031224 CCNEFR C30H46N10O10S2 770.284 NA PeJP NA NA +PJ031225 CNYWW C38H42N8O8S 770.2846 NA PeJP NA NA +PJ031226 GGCYWW C38H42N8O8S 770.2847 NA PeJP NA NA +PJ031227 SSNDYW C34H42N8O13 770.2872 NA PeJP NA NA +PJ031228 GSSCMMR C27H50N10O10S3 770.2874 NA PeJP NA NA +PJ031229 GCQMFW C35H46N8O8S2 770.288 NA PeJP NA NA +PJ031230 SSSSSMW C31H46N8O13S 770.2905 NA PeJP NA NA +PJ031231 GAPPPCDD C31H46N8O13S 770.2906 NA PeJP NA NA +PJ031232 TCCKMW C32H50N8O8S3 770.2914 NA PeJP NA NA +PJ031233 CNNHHF C32H42N12O9S 770.2919 NA PeJP NA NA +PJ031234 SSSSSSTE C27H46N8O18 770.293 NA PeJP NA NA +PJ031235 SSSTQMM C28H50N8O13S2 770.2939 NA PeJP NA NA +PJ031236 NDDDHR C28H42N12O14 770.2944 NA PeJP NA NA +PJ031237 PPCEYY C36H46N6O11S 770.2946 NA PeJP NA NA +PJ031238 CQKMMM C29H54N8O8S4 770.2948 NA PeJP NA NA +PJ031239 GSCCKHH C29H46N12O9S2 770.2952 NA PeJP NA NA +PJ031240 TTEEEY C32H46N6O16 770.2971 NA PeJP NA NA +PJ031241 PTEMMY C33H50N6O11S2 770.2979 NA PeJP NA NA +PJ031242 GNEEHW C33H42N10O12 770.2984 NA PeJP NA NA +PJ031243 GCCFRW C34H46N10O7S2 770.2993 NA PeJP NA NA +PJ031244 SCNERY C30H46N10O12S 770.3018 NA PeJP NA NA +PJ031245 CLMMHH C31H50N10O7S3 770.3026 NA PeJP NA NA +PJ031246 TCHHHH C31H42N14O8S 770.3031 NA PeJP NA NA +PJ031247 SSSTCMR C27H50N10O12S2 770.3051 NA PeJP NA NA +PJ031248 GSQMYW C35H46N8O10S 770.3058 NA PeJP NA NA +PJ031249 CCKMMR C28H54N10O7S4 770.306 NA PeJP NA NA +PJ031250 GSSTQEY C31H46N8O15 770.3083 NA PeJP NA NA +PJ031251 AQQMMY C32H50N8O10S2 770.3091 NA PeJP NA NA +PJ031252 GAAQMMY C32H50N8O10S2 770.3092 NA PeJP NA NA +PJ031253 SNNNHW C32H42N12O11 770.3096 NA PeJP NA NA +PJ031254 GGGGGGSHW C32H42N12O11 770.3097 NA PeJP NA NA +PJ031255 GSSSTTTM C28H50N8O15S 770.3117 NA PeJP NA NA +PJ031256 APEEYY C36H46N6O13 770.3123 NA PeJP NA NA +PJ031257 GSSKMMM C29H54N8O10S3 770.3125 NA PeJP NA NA +PJ031258 GSPCDHR C29H46N12O11S 770.313 NA PeJP NA NA +PJ031259 DQHWW C37H42N10O9 770.3136 NA PeJP NA NA +PJ031260 NEHWW C37H42N10O9 770.3137 NA PeJP NA NA +MJ093819 Antibiotic MA 144 U7; 3''-Deoxy, 4'''-epimer C40H50O15 770.31497 NA MeJP NA NA +MJ093820 Cytorhodin J C40H50O15 770.31497 NA MeJP NA NA +PJ031261 SLEEMY C33H50N6O13S 770.3157 NA PeJP NA NA +PJ031262 PVMMMY C34H54N6O8S3 770.3166 NA PeJP NA NA +PJ031263 GSCRYW C34H46N10O9S 770.317 NA PeJP NA NA +PJ031264 GSSSDRY C30H46N10O14 770.3195 NA PeJP NA NA +PJ031265 GGGGGGSPPE C30H46N10O14 770.3196 NA PeJP NA NA +PJ031266 GNMMRY C31H50N10O9S2 770.3204 NA PeJP NA NA +PJ031267 ACHFFF C39H46N8O7S 770.3211 NA PeJP NA NA +PJ031268 SSTQYW C35H46N8O12 770.3235 NA PeJP NA NA +PJ031269 PPNEEW C35H46N8O12 770.3236 NA PeJP NA NA +PJ031270 CNNQHR C28H46N14O10S 770.3242 NA PeJP NA NA +PJ031271 GGGGCQHR C28H46N14O10S 770.3243 NA PeJP NA NA +PJ031272 GCKMFW C36H50N8O7S2 770.3244 NA PeJP NA NA +PJ031273 SNKEMY C32H50N8O12S 770.3269 NA PeJP NA NA +PJ031274 GHWWW C41H42N10O6 770.3289 NA PeJP NA NA +PJ031275 SSSSTTTT C28H50N8O17 770.3294 NA PeJP NA NA +PJ031276 SSSTKMM C29H54N8O12S2 770.3303 NA PeJP NA NA +PJ031277 ASTNNQH C29H46N12O13 770.3307 NA PeJP NA NA +PJ031278 SNEEHR C29H46N12O13 770.3308 NA PeJP NA NA +PJ031279 PPTMYY C37H50N6O10S 770.3309 NA PeJP NA NA +PJ031280 CKKMMM C30H58N8O7S4 770.3312 NA PeJP NA NA +PJ031281 ACCRRY C30H50N12O8S2 770.3316 NA PeJP NA NA +PJ031282 VVEMMY C34H54N6O10S2 770.3343 NA PeJP NA NA +PJ031283 GDKEHW C34H46N10O11 770.3348 NA PeJP NA NA +PJ031284 GHHHHF C35H42N14O7 770.3361 NA PeJP NA NA +PJ031285 SSQMRY C31H50N10O11S 770.3381 NA PeJP NA NA +PJ031286 GSSVCRY C31H50N10O11S 770.3382 NA PeJP NA NA +PJ031287 GPPEWW C39H46N8O9 770.3388 NA PeJP NA NA +PJ031288 GSSNNHR C28H46N14O12 770.342 NA PeJP NA NA +PJ031289 GSKMYW C36H50N8O9S 770.3422 NA PeJP NA NA +PJ031290 PCCHRR C29H50N14O7S2 770.3429 NA PeJP NA NA +PJ031291 GSSTKEY C32H50N8O14 770.3447 NA PeJP NA NA +PJ031292 AQKMMY C33H54N8O9S2 770.3455 NA PeJP NA NA +PJ031293 GGCLKMY C33H54N8O9S2 770.3456 NA PeJP NA NA +PJ031294 GSEHRW C33H46N12O10 770.346 NA PeJP NA NA +PJ031295 SPLEYY C37H50N6O12 770.3487 NA PeJP NA NA +PJ031296 SSCRRY C30H50N12O10S 770.3494 NA PeJP NA NA +PJ031297 PVMMFF C38H54N6O7S2 770.3496 NA PeJP NA NA +PJ031298 DKHWW C38H46N10O8 770.35 NA PeJP NA NA +PJ031299 GGAPHFW C38H46N10O8 770.3501 NA PeJP NA NA +PJ031300 VLMMMF C35H58N6O7S3 770.3529 NA PeJP NA NA +PJ031301 GLQMHW C35H50N10O8S 770.3534 NA PeJP NA NA +PJ031302 PPWWW C43H46N8O6 770.3541 NA PeJP NA NA +PJ031303 GSSTTRY C31H50N10O13 770.3559 NA PeJP NA NA +MJ093821 Michellamine, 8'''-Me ether C47H50N2O8 770.356716 NA MeJP NA NA +MJ093822 Michellamine, N2-Me C47H50N2O8 770.356716 NA MeJP NA NA +PJ031304 ACKMRY C32H54N10O8S2 770.3568 NA PeJP NA NA +PJ031305 VNQHHH C32H46N14O9 770.3573 NA PeJP NA NA +PJ031306 SSTKYW C36H50N8O11 770.3599 NA PeJP NA NA +PJ031307 GGAPPPEF C36H50N8O11 770.36 NA PeJP NA NA +PJ031308 GDMHRR C29H50N14O9S 770.3606 NA PeJP NA NA +PJ031309 SHRWW C37H46N12O7 770.3613 NA PeJP NA NA +PJ031310 SDKKMY C33H54N8O11S 770.3633 NA PeJP NA NA +MJ093823 RA-V; Me ether C41H50N6O9 770.363927 NA MeJP NA NA +PJ031311 PPTFFY C41H50N6O9 770.364 NA PeJP NA NA +PJ031312 AAMHRW C34H50N12O7S 770.3647 NA PeJP NA NA +PJ031313 SDKEHR C30H50N12O12 770.3671 NA PeJP NA NA +PJ031314 GSSVEHR C30H50N12O12 770.3672 NA PeJP NA NA +PJ031315 PVVMYY C38H54N6O9S 770.3673 NA PeJP NA NA +PJ031316 PCKMHR C31H54N12O7S2 770.368 NA PeJP NA NA +PJ031317 GQHHHR C31H46N16O8 770.3685 NA PeJP NA NA +PJ031318 TLLMMY C35H58N6O9S2 770.3707 NA PeJP NA NA +PJ031319 SPPERW C35H50N10O10 770.3712 NA PeJP NA NA +MJ093824 1,3-Dihydroxypregna-5,16-dien-20-one, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] C38H58O16 770.372485 NA MeJP NA NA +7702 ACE inhibitor from human plasma YLYEIA 770.373 antioxidative Inhouse_peptide NA peptide +PJ031320 SSKMRY C32H54N10O10S 770.3745 NA PeJP NA NA +PJ031321 GPPVDMR C32H54N10O10S 770.3746 NA PeJP NA NA +PJ031322 SPPVWW C40H50N8O8 770.3752 NA PeJP NA NA +PJ031323 SSEHRR C29H50N14O11 770.3784 NA PeJP NA NA +PJ031324 PPLQMW C37H54N8O8S 770.3786 NA PeJP NA NA +PJ031325 SSSSLKY C33H54N8O13 770.381 NA PeJP NA NA +PJ031326 GTTTTKY C33H54N8O13 770.3811 NA PeJP NA NA +PJ031327 AKKMMY C34H58N8O8S2 770.3819 NA PeJP NA NA +PJ031328 ATTHRW C34H50N12O9 770.3824 NA PeJP NA NA +PJ031329 ALLEYY C38H54N6O11 770.3851 NA PeJP NA NA +PJ031330 PPDMRR C31H54N12O9S 770.3858 NA PeJP NA NA +PJ031331 GPKHFW C39H50N10O7 770.3864 NA PeJP NA NA +PJ031332 PPCLRW C36H54N10O7S 770.3898 NA PeJP NA NA +PJ031333 PLQEER C32H54N10O12 770.3923 NA PeJP NA NA +PJ031334 PKKMMH C33H58N10O7S2 770.3932 NA PeJP NA NA +PJ031335 PPQHHR C33H50N14O8 770.3936 NA PeJP NA NA +PJ031336 GAPPHHR C33H50N14O8 770.3937 NA PeJP NA NA +PJ031337 PVLQEW C37H54N8O10 770.3963 NA PeJP NA NA +PJ031338 ATMHRR C30H54N14O8S 770.397 NA PeJP NA NA +PJ031339 TTKKMY C34H58N8O10S 770.3997 NA PeJP NA NA +PJ031340 PVVFFY C42H54N6O8 770.4003 NA PeJP NA NA +PJ031341 PVDERR C31H54N12O11 770.4035 NA PeJP NA NA +PJ031342 GGGAPKER C31H54N12O11 770.4036 NA PeJP NA NA +PJ031343 VVLMFY C39H58N6O8S 770.4037 NA PeJP NA NA +PJ031344 GKHHHR C32H50N16O7 770.4049 NA PeJP NA NA +PJ031345 VTTKHW C36H54N10O9 770.4075 NA PeJP NA NA +PJ031346 APLERW C36H54N10O9 770.4076 NA PeJP NA NA +MJ093825 3,15,23-Trihydroxyspirostan-26-one, 3-O-Neohesperidoside C39H62O15 770.408871 NA MeJP NA NA +MJ093826 Spirost-5-ene-3,15,23-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside] C39H62O15 770.408871 NA MeJP NA NA +C17922 Scopoloside II C39H62O15 770.4089 NA KEGG NA NA +MJ093827 14,15-Epoxy-3,5,16-trihydroxybufa-20,22-dienolide, 3-(Arginylpimeloyl), 16-Ac C40H58N4O11 770.410208 NA MeJP NA NA +PJ031347 GPPTLMR C33H58N10O9S 770.4109 NA PeJP NA NA +PJ031348 GPLLWW C41H54N8O7 770.4116 NA PeJP NA NA +PJ031349 TTTHRR C30H54N14O10 770.4148 NA PeJP NA NA +PJ031350 PPLKMW C38H58N8O7S 770.415 NA PeJP NA NA +PJ031351 SPPTLKE C34H58N8O12 770.4174 NA PeJP NA NA +PJ031352 GPVLKEE C34H58N8O12 770.4175 NA PeJP NA NA +PJ031353 GPQKRW C35H54N12O8 770.4188 NA PeJP NA NA +PJ031354 SLLLYY C39H58N6O10 770.4215 NA PeJP NA NA +PJ031355 SLKMHR C32H58N12O8S 770.4222 NA PeJP NA NA +MJ093828 Antibiotic VM 44866; 13?,23?-Bis(2-methylpropanoyloxy), 5-Me ether C43H62O12 770.424127 NA MeJP NA NA +PJ031356 PLKEER C33H58N10O11 770.4287 NA PeJP NA NA +PJ031357 GVHFRR C34H54N14O7 770.43 NA PeJP NA NA +PJ031358 PVLKEW C38H58N8O9 770.4327 NA PeJP NA NA +PJ031359 SPPVLKM C35H62N8O9S 770.4361 NA PeJP NA NA +PJ031360 VVLFFF C43H58N6O7 770.4367 NA PeJP NA NA +PJ031361 PTLERR C32H58N12O10 770.4399 NA PeJP NA NA +PJ031362 HFRRR C33H54N16O6 770.4413 NA PeJP NA NA +PJ031363 SPLLRW C37H58N10O8 770.4439 NA PeJP NA NA +PJ031364 GGPVKKW C37H58N10O8 770.444 NA PeJP NA NA +MJ093829 3,5-Cyclofurostane-1,6,22,26-tetrol, 1-O-?-D-Fucopyranoside, 26-O-?-D-glucopyranoside, 6-Me ether C40H66O14 770.445256 NA MeJP NA NA +MJ093830 Furost-5-ene-3,22,26-triol, 22-Me ether, 3,26-di-O-?-D-glucopyranoside C40H66O14 770.445256 NA MeJP NA NA +MJ093831 Furostane-3,6,22,26-tetrol, 3-Ketone, 22-Me ether, 6-O-(6-deoxy-?-D-glucopyranoside), 26-O-?-glucopyranoside C40H66O14 770.445256 NA MeJP NA NA +PJ031365 AAPLLMR C34H62N10O8S 770.4473 NA PeJP NA NA +PJ031366 SPQKRR C31H58N14O9 770.4512 NA PeJP NA NA +PJ031367 APTLLKE C35H62N8O11 770.4538 NA PeJP NA NA +PJ031368 GGGLLLLE C35H62N8O11 770.4539 NA PeJP NA NA +PJ031369 GPKKRW C36H58N12O7 770.4552 NA PeJP NA NA +PJ031370 CKKKKH C33H62N12O7S 770.4585 NA PeJP NA NA +PJ031371 PVLMRR C33H62N12O7S 770.4586 NA PeJP NA NA +PJ031372 GVQRRR C30H58N16O8 770.4624 NA PeJP NA NA +PJ031373 LLLQER C34H62N10O10 770.4651 NA PeJP NA NA +PJ031374 VLLLQW C39H62N8O8 770.4691 NA PeJP NA NA +PJ031375 GPLLLKM C36H66N8O8S 770.4725 NA PeJP NA NA +PJ031376 QRRRR C29H58N18O7 770.4736 NA PeJP NA NA +PJ031377 VVLERR C33H62N12O9 770.4763 NA PeJP NA NA +PJ031378 ALLLRW C38H62N10O7 770.4803 NA PeJP NA NA +MJ093832 8,16,18,26,34,36-Hexahydroxy-2,6,10,14,24,28,32-hentetracontaneheptone C41H70O13 770.481642 NA MeJP NA NA +MJ093833 Cycloartane-1,3,7,24,25-pentol, 3-O-?-L-Rhamnopyranoside, 24-O-?-D-xylopyranoside C41H70O13 770.481642 NA MeJP NA NA +MJ093834 Dammar-24-ene-3,12,20,26-tetrol, 20-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C41H70O13 770.481642 NA MeJP NA NA +MJ093835 Dammar-24-ene-3,6,12,20-tetrol, 20-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] C41H70O13 770.481642 NA MeJP NA NA +MJ093836 Dammar-24-ene-3,6,12,20-tetrol, 20-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C41H70O13 770.481642 NA MeJP NA NA +MJ093837 Dammar-24-ene-3,6,12,20-tetrol, 6-O-?-D-Xylopyranoside, 20-O-?-D-glucopyranoside C41H70O13 770.481642 NA MeJP NA NA +MJ093838 Dammar-24-ene-3,6,12,20-tetrol, 6-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C41H70O13 770.481642 NA MeJP NA NA +MJ093839 Ossamycin; Aglycone C41H70O13 770.481642 NA MeJP NA NA +PJ031379 SPKKRR C32H62N14O8 770.4875 NA PeJP NA NA +PJ031380 GGVVKRR C32H62N14O8 770.4876 NA PeJP NA NA +PJ031381 GVLLLKE C36H66N8O10 770.4902 NA PeJP NA NA +MJ093840 1,2-Di-O-acylglycerols; Glycerol 1,2-di-(6Z,9Z,12Z,15Z-octadecatetraenoate), 3-O-?-D-Galactopyranoside (2R-) C45H70O10 770.496898 NA MeJP NA NA +PJ031382 GVKRRR C31H62N16O7 770.4988 NA PeJP NA NA +PJ031383 LLLKER C35H66N10O9 770.5015 NA PeJP NA NA +PJ031384 VLLLKW C40H66N8O7 770.5055 NA PeJP NA NA +HMDB10580 PG(16:0/20:4(5Z,8Z,11Z,14Z)) C42H75O10P 770.509766 NA HMDB2010 NA NA +HMDB10593 PG(16:1(9Z)/20:3(5Z,8Z,11Z)) C42H75O10P 770.509766 NA HMDB2010 NA NA +HMDB10594 PG(16:1(9Z)/20:3(8Z,11Z,14Z)) C42H75O10P 770.509766 NA HMDB2010 NA NA +HMDB10621 PG(18:1(11Z)/18:3(6Z,9Z,12Z)) C42H75O10P 770.509766 NA HMDB2010 NA NA +HMDB10622 PG(18:1(11Z)/18:3(9Z,12Z,15Z)) C42H75O10P 770.509766 NA HMDB2010 NA NA +HMDB10636 PG(18:1(9Z)/18:3(6Z,9Z,12Z)) C42H75O10P 770.509766 NA HMDB2010 NA NA +HMDB10637 PG(18:1(9Z)/18:3(9Z,12Z,15Z)) C42H75O10P 770.509766 NA HMDB2010 NA NA +HMDB10650 PG(18:2(9Z,12Z)/18:2(9Z,12Z)) C42H75O10P 770.509766 NA HMDB2010 NA NA +HMDB10663 PG(18:3(6Z,9Z,12Z)/18:1(11Z)) C42H75O10P 770.509766 NA HMDB2010 NA NA +HMDB10664 PG(18:3(6Z,9Z,12Z)/18:1(9Z)) C42H75O10P 770.509766 NA HMDB2010 NA NA +HMDB10678 PG(18:3(9Z,12Z,15Z)/18:1(11Z)) C42H75O10P 770.509766 NA HMDB2010 NA NA +HMDB10679 PG(18:3(9Z,12Z,15Z)/18:1(9Z)) C42H75O10P 770.509766 NA HMDB2010 NA NA +PJ031385 KRRRR C30H62N18O6 770.51 NA PeJP NA NA +PJ031386 TLLLRR C34H66N12O8 770.5127 NA PeJP NA NA +PJ031387 ALKKRR C33H66N14O7 770.5239 NA PeJP NA NA +PJ031388 ATLLLLK C37H70N8O9 770.5266 NA PeJP NA NA +PJ031389 AALLKKK C36H70N10O8 770.5378 NA PeJP NA NA +PJ031390 VLKKKR C35H70N12O7 770.5491 NA PeJP NA NA +EUR1087 SM(d18:1/18:3) [M+FA-H]- C41H77N2O6P 770.556806 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1087 SM(d18:1/18:3) [M+FA-H]- C41H77N2O6P 770.556806 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1087 SM(d18:1/18:3) [M+FA-H]- C41H77N2O6P 770.556806 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1087 SM(d18:1/18:3) [M+FA-H]- C41H77N2O6P 770.556806 masses lipides attendues Inhousejuil11 NA NA +MJ093841 2-(3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonenyl)-1,4-benzoquinone C55H78O2 770.600181 NA MeJP NA NA +MJ093842 Manzamenone A; Et ester C48H82O7 770.606054 NA MeJP NA NA +MJ093843 Manzamenone G C48H82O7 770.606054 NA MeJP NA NA +MJ093844 Glisoprenin D; 6,7-Dihydro, 6,7-dihydroxy C45H86O9 770.627184 NA MeJP NA NA +EUR1106 SM(d18:1/22:1) [M-H-CH3]- C45H89N2O6P 770.630176 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1106 SM(d18:1/22:1) [M-H-CH3]- C45H89N2O6P 770.630176 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1106 SM(d18:1/22:1) [M-H-CH3]- C45H89N2O6P 770.630176 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1106 SM(d18:1/22:1) [M-H-CH3]- C45H89N2O6P 770.630176 masses lipides attendues Inhousejuil11 NA NA +C17160 Fistularin 1 C22H21Br4N3O8 770.8062 NA KEGG NA NA +C17161 Fistularin 2 C22H21Br4N3O8 770.8062 NA KEGG NA NA +MJ093845 Araplysillin I; 19-Hydroxy, N20-Ac C23H25Br4N3O7 770.8426 NA MeJP NA NA +PJ031391 TCCCCCH C25H41N9O9S5 771.1631 NA PeJP NA NA +PJ031392 SCCDDDD C25H37N7O17S2 771.1688 NA PeJP NA NA +PJ031393 PCCCCDE C26H41N7O12S4 771.1696 NA PeJP NA NA +MJ093846 Cadystin A C26H41N7O14S3 771.187361 NA MeJP NA NA +PJ031394 GCCDDEM C26H41N7O14S3 771.1874 NA PeJP NA NA +PJ031395 GCCCCHF C29H41N9O8S4 771.1961 NA PeJP NA NA +PJ031396 SCCCNNE C25H41N9O13S3 771.1986 NA PeJP NA NA +PJ031397 CCDDMW C30H41N7O11S3 771.2026 NA PeJP NA NA +PJ031398 SSCCDEE C26H41N7O16S2 771.2051 NA PeJP NA NA +PJ031399 SSCDDDM C26H41N7O16S2 771.2052 NA PeJP NA NA +PJ031400 SPCCCEM C27H45N7O11S4 771.206 NA PeJP NA NA +FL7AAAGL0030 Pelargonidin 3-(6''-ferulylglucoside)-5-glucoside C37H39O18 771.21363 168647-43-6 knapsack NA NA +FL7AADGL0019 Peonidin 3-(6''-p-coumarylglucoside)-5-glucoside C37H39O18 771.21363 51939-65-2 knapsack NA NA +FL7AAHGL0012 Petunidin 3-(4'''-p-coumarylrutinoside) C37H39O18 771.21363 69896-02-2 knapsack NA NA +PJ031401 GSCCCNW C29H41N9O10S3 771.2139 NA PeJP NA NA +PJ031402 GSSSCCND C25H41N9O15S2 771.2164 NA PeJP NA NA +PJ031403 GCCNNMM C26H45N9O10S4 771.2172 NA PeJP NA NA +PJ031404 GGGCCNMM C26H45N9O10S4 771.2173 NA PeJP NA NA +PJ031405 GPCCDDY C30H41N7O13S2 771.2204 NA PeJP NA NA +PJ031406 PPCCCCF C31H45N7O8S4 771.2213 NA PeJP NA NA +PJ031407 GSCDEMM C27H45N7O13S3 771.2238 NA PeJP NA NA +PJ031408 GPCCMMM C28H49N7O8S5 771.2246 NA PeJP NA NA +PJ031409 PCCCCLM C28H49N7O8S5 771.2247 NA PeJP NA NA +PJ031410 GCCCCQR C25H45N11O9S4 771.2285 NA PeJP NA NA +PJ031411 GCCNNDF C29H41N9O12S2 771.2316 NA PeJP NA NA +PJ031412 GGGCCNDF C29H41N9O12S2 771.2317 NA PeJP NA NA +FL7AADGL0010 Peonidin 3-rutinoside-5-glucoside C34H43O20 771.23476 39824-85-6 knapsack NA NA +PJ031413 SSCCNQM C26H45N9O12S3 771.235 NA PeJP NA NA +PJ031414 NDDDMY C30H41N7O15S 771.2382 NA PeJP NA NA +PJ031415 SCDMMW C31H45N7O10S3 771.239 NA PeJP NA NA +PJ031416 SSSDDMM C27H45N7O15S2 771.2415 NA PeJP NA NA +PJ031417 NDMMMM C28H49N7O10S4 771.2424 NA PeJP NA NA +PJ031418 GSCCEHH C28H41N11O11S2 771.2429 NA PeJP NA NA +PJ031419 SSCCCNR C25H45N11O11S3 771.2462 NA PeJP NA NA +PJ031420 GGSSCCCR C25H45N11O11S3 771.2463 NA PeJP NA NA +PJ031421 GSCNNDY C29H41N9O14S 771.2494 NA PeJP NA NA +PJ031422 GSSSSCNM C26H45N9O14S2 771.2528 NA PeJP NA NA +PJ031423 GCDEYW C34H41N7O12S 771.2534 NA PeJP NA NA +PJ031424 CCEMMR C27H49N9O9S4 771.2536 NA PeJP NA NA +PJ031425 GGACCCKM C27H49N9O9S4 771.2537 NA PeJP NA NA +PJ031426 GSSDDEY C30H41N7O17 771.2559 NA PeJP NA NA +PJ031427 GSPCDMY C31H45N7O12S2 771.2568 NA PeJP NA NA +PJ031428 ACMMMW C32H49N7O7S4 771.2577 NA PeJP NA NA +PJ031429 SCCHHW C32H41N11O8S2 771.2581 NA PeJP NA NA +PJ031430 GSSEMMM C28H49N7O12S3 771.2602 NA PeJP NA NA +PJ031431 SSSCDHH C28H41N11O13S 771.2606 NA PeJP NA NA +PJ031432 CNMMHH C29H45N11O8S3 771.2615 NA PeJP NA NA +PJ031433 PCDDHW C33H41N9O11S 771.2647 NA PeJP NA NA +PJ031434 GCCCCKR C26H49N11O8S4 771.2649 NA PeJP NA NA +PJ031435 NDEEEH C29H41N9O16 771.2672 NA PeJP NA NA +PJ031436 CNNQMY C30H45N9O11S2 771.268 NA PeJP NA NA +PJ031437 CDYWW C38H41N7O9S 771.2687 NA PeJP NA NA +PJ031438 SSSSSSCQ C26H45N9O16S 771.2705 NA PeJP NA NA +PJ031439 SSDDYW C34H41N7O14 771.2712 NA PeJP NA NA +PJ031440 SSCCNKM C27H49N9O11S3 771.2714 NA PeJP NA NA +PJ031441 GCNNNNH C27H41N13O12S 771.2719 NA PeJP NA NA +PJ031442 PTCCYW C35H45N7O9S2 771.272 NA PeJP NA NA +PJ031443 GCEMFW C35H45N7O9S2 771.2721 NA PeJP NA NA +MJ093847 Antibiotic A 2121; Antibiotic A 2121-1, 4C,12a-Bis-O-deglycosyl C38H45NO16 771.273834 NA MeJP NA NA +PJ031444 SNEEMY C31H45N7O14S 771.2745 NA PeJP NA NA +PJ031445 GGSEEMY C31H45N7O14S 771.2746 NA PeJP NA NA +PJ031446 SSMMMW C32H49N7O9S3 771.2754 NA PeJP NA NA +PJ031447 CNDHHF C32H41N11O10S 771.2759 NA PeJP NA NA +PJ031448 SSSTEMM C28H49N7O14S2 771.2779 NA PeJP NA NA +PJ031449 DDDDHR C28H41N11O15 771.2784 NA PeJP NA NA +PJ031450 TQMMMM C29H53N7O9S4 771.2788 NA PeJP NA NA +PJ031451 CCNNRY C29H45N11O10S2 771.2793 NA PeJP NA NA +PJ031452 GDEEHW C33H41N9O13 771.2824 NA PeJP NA NA +PJ031453 SCDERY C30H45N9O13S 771.2858 NA PeJP NA NA +PJ031454 PCCMRY C31H49N9O8S3 771.2867 NA PeJP NA NA +PJ031455 CMFWW C39H45N7O6S2 771.2873 NA PeJP NA NA +PJ031456 GSSSSSSSS C26H45N9O18 771.2883 NA PeJP NA NA +PJ031457 ASSSSCCK C27H49N9O13S2 771.2891 NA PeJP NA NA +PJ031458 GSSSTCCK C27H49N9O13S2 771.2892 NA PeJP NA NA +PJ031459 GSEMYW C35H45N7O11S 771.2898 NA PeJP NA NA +PJ031460 TCMMMR C28H53N9O8S4 771.29 NA PeJP NA NA +PJ031461 GSSTEEY C31H45N7O16 771.2923 NA PeJP NA NA +PJ031462 AQEMMY C32H49N7O11S2 771.2932 NA PeJP NA NA +PJ031463 SNNDHW C32H41N11O12 771.2936 NA PeJP NA NA +PJ031464 GGSNDHW C32H41N11O12 771.2937 NA PeJP NA NA +MJ093848 Phyllanthusol B C35H49NO18 771.294963 NA MeJP NA NA +PJ031465 GTTTMMM C29H53N7O11S3 771.2965 NA PeJP NA NA +PJ031466 SSSSMHH C29H45N11O12S 771.297 NA PeJP NA NA +PJ031467 GGGGGGGGPPC C29H45N11O12S 771.2971 NA PeJP NA NA +PJ031468 DEHWW C37H41N9O10 771.2977 NA PeJP NA NA +PJ031469 SPDMHW C34H45N9O10S 771.301 NA PeJP NA NA +PJ031470 GGGGCQFF C34H45N9O10S 771.3011 NA PeJP NA NA +PJ031471 SSSSNQY C30H45N9O15 771.3035 NA PeJP NA NA +PJ031472 GATEEEH C30H45N9O15 771.3036 NA PeJP NA NA +PJ031473 GDMMRY C31H49N9O10S2 771.3044 NA PeJP NA NA +PJ031474 SMYWW C39H45N7O8S 771.305 NA PeJP NA NA +PJ031475 GPCFYW C39H45N7O8S 771.3051 NA PeJP NA NA +PJ031476 SSSSSSCK C27H49N9O15S 771.3069 NA PeJP NA NA +PJ031477 SSTEYW C35H45N7O13 771.3076 NA PeJP NA NA +PJ031478 STCCCKK C28H53N9O10S3 771.3078 NA PeJP NA NA +PJ031479 CNNEHR C28H45N13O11S 771.3083 NA PeJP NA NA +PJ031480 AAMMYW C36H49N7O8S2 771.3084 NA PeJP NA NA +PJ031481 SDKEMY C32H49N7O13S 771.3109 NA PeJP NA NA +PJ031482 TYYYY C40H45N5O11 771.3116 NA PeJP NA NA +PJ031483 PCKMMY C33H53N7O8S3 771.3118 NA PeJP NA NA +PJ031484 GNQMHW C33H45N11O9S 771.3123 NA PeJP NA NA +PJ031485 STTTTMM C29H53N7O13S2 771.3143 NA PeJP NA NA +PJ031486 SDEEHR C29H45N11O14 771.3148 NA PeJP NA NA +PJ031487 TKMMMM C30H57N7O8S4 771.3152 NA PeJP NA NA +PJ031488 GPCCQKH C30H49N11O9S2 771.3156 NA PeJP NA NA +PJ031489 PCEMHR C30H49N11O9S2 771.3157 NA PeJP NA NA +PJ031490 NNNHHH C30H41N15O10 771.3161 NA PeJP NA NA +PJ031491 ATEEHW C34H45N9O12 771.3188 NA PeJP NA NA +PJ031492 APMMHW C35H49N9O7S2 771.3197 NA PeJP NA NA +PJ031493 SSEMRY C31H49N9O12S 771.3222 NA PeJP NA NA +PJ031494 GSPYYW C39H45N7O10 771.3228 NA PeJP NA NA +PJ031495 GMMMFR C32H53N9O7S3 771.323 NA PeJP NA NA +PJ031496 GCNHRW C32H45N13O8S 771.3235 NA PeJP NA NA +PJ031497 GSSNDHR C28H45N13O13 771.326 NA PeJP NA NA +PJ031498 ATTMYW C36H49N7O10S 771.3262 NA PeJP NA NA +PJ031499 SSSSLEY C32H49N7O15 771.3287 NA PeJP NA NA +PJ031500 SLQMMY C33H53N7O10S2 771.3295 NA PeJP NA NA +PJ031501 AKEMMY C33H53N7O10S2 771.3296 NA PeJP NA NA +PJ031502 SSQQHW C33H45N11O11 771.33 NA PeJP NA NA +PJ031503 GGGGGGPQW C33H45N11O11 771.3301 NA PeJP NA NA +PJ031504 AEEMHR C30H49N11O11S 771.3334 NA PeJP NA NA +PJ031505 GPEHFW C38H45N9O9 771.3341 NA PeJP NA NA +PJ031506 GLEMHW C35H49N9O9S 771.3374 NA PeJP NA NA +PJ031507 AFYWW C43H45N7O7 771.3381 NA PeJP NA NA +PJ031508 SSSSNKY C31H49N9O14 771.3399 NA PeJP NA NA +PJ031509 GGGGGPLEE C31H49N9O14 771.34 NA PeJP NA NA +PJ031510 ATMMRY C32H53N9O9S2 771.3408 NA PeJP NA NA +PJ031511 VNEHHH C32H45N13O10 771.3413 NA PeJP NA NA +PJ031512 AAMFFW C40H49N7O7S 771.3414 NA PeJP NA NA +PJ031513 GCLFFW C40H49N7O7S 771.3415 NA PeJP NA NA +3217 casoxin (fr,33-38 of bovine kappa-casein) SRYPSY 771.343 celiac toxic Inhouse_peptide NA peptide +PJ031514 TTTTYW C36H49N7O12 771.3439 NA PeJP NA NA +PJ031515 GGSLEFY C36H49N7O12 771.344 NA PeJP NA NA +PJ031516 SNQMHR C29H49N13O10S 771.3446 NA PeJP NA NA +PJ031517 GGGGTMHR C29H49N13O10S 771.3447 NA PeJP NA NA +PJ031518 PCKMFF C37H53N7O7S2 771.3448 NA PeJP NA NA +PJ031519 GQHHFF C37H45N11O8 771.3453 NA PeJP NA NA +MJ093849 Antibiotic K 502; Antibiotic K 502-8 C40H53NO14 771.346605 NA MeJP NA NA +MJ093850 Cosmomycin B C40H53NO14 771.346605 NA MeJP NA NA +MJ093851 Cytorhodin A; 7-Deglycosyl C40H53NO14 771.346605 NA MeJP NA NA +PJ031520 TTKEMY C33H53N7O12S 771.3473 NA PeJP NA NA +PJ031521 CLKMMF C34H57N7O7S3 771.3482 NA PeJP NA NA +PJ031522 PPCNRW C34H49N11O8S 771.3487 NA PeJP NA NA +PJ031523 PHFWW C42H45N9O6 771.3493 NA PeJP NA NA +PJ031524 SSSLNQH C30H49N11O13 771.3511 NA PeJP NA NA +PJ031525 TTEEHR C30H49N11O13 771.3512 NA PeJP NA NA +PJ031526 PTMMHR C31H53N11O8S2 771.352 NA PeJP NA NA +PJ031527 GEHHHR C31H45N15O9 771.3525 NA PeJP NA NA +PJ031528 LMHWW C39H49N9O6S 771.3527 NA PeJP NA NA +PJ031529 STLEHW C35H49N9O11 771.3552 NA PeJP NA NA +PJ031530 SCNHRR C28H49N15O9S 771.3559 NA PeJP NA NA +PJ031531 GVHHHW C36H45N13O7 771.3565 NA PeJP NA NA +PJ031532 TTTMRY C32H53N9O11S 771.3585 NA PeJP NA NA +PJ031533 GSSCKKY C32H53N9O11S 771.3586 NA PeJP NA NA +PJ031534 LQYYW C40H49N7O9 771.3592 NA PeJP NA NA +PJ031535 PNDDRR C29H49N13O12 771.3624 NA PeJP NA NA +PJ031536 PPLEMW C37H53N7O9S 771.3626 NA PeJP NA NA +PJ031537 SSTTTLY C33H53N7O14 771.3651 NA PeJP NA NA +PJ031538 SLKMMY C34H57N7O9S2 771.3659 NA PeJP NA NA +PJ031539 PPPVTMM C34H57N7O9S2 771.366 NA PeJP NA NA +PJ031540 GPQERW C34H49N11O10 771.3664 NA PeJP NA NA +PJ031541 HHHRW C35H45N15O6 771.3678 NA PeJP NA NA +PJ031542 SLEMHR C31H53N11O10S 771.3698 NA PeJP NA NA +PJ031543 GPVQWW C39H49N9O8 771.3704 NA PeJP NA NA +PJ031544 SVLMHW C36H53N9O8S 771.3738 NA PeJP NA NA +MJ093852 Microginin 91C; 10,10-Dichloro C37H59Cl2N5O8 771.374069 NA MeJP NA NA +PJ031545 PLEEER C32H53N9O13 771.3763 NA PeJP NA NA +PJ031546 CCKKKY C33H57N9O8S2 771.3772 NA PeJP NA NA +PJ031547 ANQHFR C33H49N13O9 771.3776 NA PeJP NA NA +PJ031548 GQQHFR C33H49N13O9 771.3777 NA PeJP NA NA +PJ031549 PVLEEW C37H53N7O11 771.3803 NA PeJP NA NA +PJ031550 GSPPCRR C30H53N13O9S 771.381 NA PeJP NA NA +PJ031551 PQRWW C38H49N11O7 771.3817 NA PeJP NA NA +PJ031552 SPPVLEM C34H57N7O11S 771.3837 NA PeJP NA NA +PJ031553 ACKKHW C35H53N11O7S 771.385 NA PeJP NA NA +PJ031554 PCLHFR C35H53N11O7S 771.3851 NA PeJP NA NA +PJ031555 PNKEER C31H53N11O12 771.3875 NA PeJP NA NA +PJ031556 GGPKEER C31H53N11O12 771.3876 NA PeJP NA NA +PJ031557 VVMMHR C32H57N11O7S2 771.3884 NA PeJP NA NA +PJ031558 SVHHHR C32H49N15O8 771.3889 NA PeJP NA NA +PJ031559 PVNKEW C36H53N9O10 771.3916 NA PeJP NA NA +PJ031560 GTTLLMH C33H57N9O10S 771.3949 NA PeJP NA NA +PJ031561 GPPDKKM C33H57N9O10S 771.395 NA PeJP NA NA +PJ031562 LKYYW C41H53N7O8 771.3956 NA PeJP NA NA +MJ093853 Microginin 99A C40H58ClN5O8 771.397391 NA MeJP NA NA +PJ031563 SPQERR C30H53N13O11 771.3988 NA PeJP NA NA +PJ031564 ALKMFY C38H57N7O8S 771.399 NA PeJP NA NA +PJ031565 APTLLEE C34H57N7O13 771.4015 NA PeJP NA NA +PJ031566 APPLLMM C35H61N7O8S2 771.4023 NA PeJP NA NA +PJ031567 GPKERW C35H53N11O9 771.4028 NA PeJP NA NA +PJ031568 GSPPKMR C32H57N11O9S 771.4062 NA PeJP NA NA +PJ031569 GPVKWW C40H53N9O7 771.4068 NA PeJP NA NA +PJ031570 GQQQRR C29H53N15O10 771.41 NA PeJP NA NA +PJ031571 PLKMHF C37H57N9O7S 771.4102 NA PeJP NA NA +PJ031572 STTTLLH C33H57N9O12 771.4127 NA PeJP NA NA +PJ031573 LLKMMH C34H61N9O7S2 771.4136 NA PeJP NA NA +PJ031574 GPTRRW C34H53N13O8 771.414 NA PeJP NA NA +PJ031575 GGAKHFR C34H53N13O8 771.4141 NA PeJP NA NA +PJ031576 SVLKYY C38H57N7O10 771.4167 NA PeJP NA NA +PJ031577 PVNMRR C31H57N13O8S 771.4174 NA PeJP NA NA +PJ031578 PKRWW C39H53N11O6 771.4181 NA PeJP NA NA +PJ031579 GPLLLEM C35H61N7O10S 771.4201 NA PeJP NA NA +PJ031580 GNNRRR C28H53N17O9 771.4213 NA PeJP NA NA +PJ031581 PDKKER C32H57N11O11 771.4239 NA PeJP NA NA +PJ031582 GGGALLER C32H57N11O11 771.424 NA PeJP NA NA +PJ031583 PVDKKW C37H57N9O9 771.428 NA PeJP NA NA +PJ031584 GPMRRR C30H57N15O7S 771.4287 NA PeJP NA NA +PJ031585 APPTKKM C34H61N9O9S 771.4313 NA PeJP NA NA +PJ031586 PPLLFW C42H57N7O7 771.432 NA PeJP NA NA +PJ031587 SPKERR C31H57N13O10 771.4352 NA PeJP NA NA +PJ031588 PLLLMW C39H61N7O7S 771.4354 NA PeJP NA NA +PJ031589 SPTLLLE C35H61N7O12 771.4378 NA PeJP NA NA +PJ031590 GVLLLEE C35H61N7O12 771.4379 NA PeJP NA NA +MJ093854 Pol-RFamide C36H57N11O8 771.439157 NA MeJP NA NA +PJ031591 SPVKRW C36H57N11O8 771.4392 NA PeJP NA NA +C14058 Leucomycin A5 C39H65NO14 771.4405 NA KEGG NA NA +MJ093855 Leucomycin A5 C39H65NO14 771.440505 NA MeJP NA NA +MJ093856 Staphcoccomycin C39H65NO14 771.440505 NA MeJP NA NA +MJ093857 Tylosin B C39H65NO14 771.440505 NA MeJP NA NA +PJ031592 PLQKMR C33H61N11O8S 771.4426 NA PeJP NA NA +PJ031593 GVERRR C30H57N15O9 771.4464 NA PeJP NA NA +MJ093858 Dynastin 4 C34H61N9O11 771.449053 NA MeJP NA NA +PJ031594 LLLEER C34H61N9O11 771.4491 NA PeJP NA NA +PJ031595 AALRRW C35H57N13O7 771.4504 NA PeJP NA NA +PJ031596 VLLLEW C39H61N7O9 771.4531 NA PeJP NA NA +PJ031597 PCLKRR C32H61N13O7S 771.4538 NA PeJP NA NA +PJ031598 SPVLLLM C36H65N7O9S 771.4565 NA PeJP NA NA +PJ031599 ERRRR C29H57N17O8 771.4576 NA PeJP NA NA +PJ031600 VLQKER C33H61N11O10 771.4603 NA PeJP NA NA +PJ031601 VRRRW C34H57N15O6 771.4617 NA PeJP NA NA +PJ031602 PTLKKW C38H61N9O8 771.4643 NA PeJP NA NA +PJ031603 GGVLLKW C38H61N9O8 771.4644 NA PeJP NA NA +PJ031604 GPVLKKM C35H65N9O8S 771.4677 NA PeJP NA NA +MJ093859 Kemptide C32H61N13O9 771.47152 NA MeJP NA NA +PJ031605 ALKERR C32H61N13O9 771.4716 NA PeJP NA NA +PJ031606 ATLLLLE C36H65N7O11 771.4742 NA PeJP NA NA +PJ031607 GLLKRW C37H61N11O7 771.4756 NA PeJP NA NA +PJ031608 PLKKMR C34H65N11O7S 771.4789 NA PeJP NA NA +PJ031609 ATLRRR C31H61N15O8 771.4828 NA PeJP NA NA +PJ031610 AALLKKE C35H65N9O10 771.4855 NA PeJP NA NA +PJ031611 GPLLLLF C40H65N7O8 771.4895 NA PeJP NA NA +PJ031612 GLLLLLM C37H69N7O8S 771.4929 NA PeJP NA NA +PJ031613 VLKKER C34H65N11O9 771.4967 NA PeJP NA NA +PJ031614 VVLKKW C39H65N9O7 771.5007 NA PeJP NA NA +PJ031615 SLLKRR C33H65N13O8 771.5079 NA PeJP NA NA +PJ031616 STLLLLL C37H69N7O10 771.5106 NA PeJP NA NA +PJ031617 GKKKRR C32H65N15O7 771.5192 NA PeJP NA NA +PJ031618 GTLLLKK C36H69N9O9 771.5219 NA PeJP NA NA +PJ031619 LQKKKK C35H69N11O8 771.5331 NA PeJP NA NA +PJ031620 LKKKKK C36H73N11O7 771.5695 NA PeJP NA NA +EUR966 PC 36:2 [M-H-CH3]- C44H84NO8P 771.577807 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR966 PC 36:2 [M-H-CH3]- C44H84NO8P 771.577807 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR966 PC 36:2 [M-H-CH3]- C44H84NO8P 771.577807 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR966 PC 36:2 [M-H-CH3]- C44H84NO8P 771.577807 masses lipides attendues Inhousejuil11 NA NA +HMDB05341 GPEtn(20:0/18:2(9Z,12Z)) C43H82NO8P 771.57782 http://www.hmdb.ca/metabolites/HMDB05341 HMDB NA NA +HMDB05348 GPEtn(18:1(9Z)/20:1(11Z)) C43H82NO8P 771.57782 http://www.hmdb.ca/metabolites/HMDB05348 HMDB NA NA +HMDB05341 GPEtn(20:0/18:2(9Z,12Z)) C43H82NO8P 771.57782 HMDB05341 PFEM_hmdb_metabocards_official NA NA +HMDB05348 GPEtn(18:1(9Z)/20:1(11Z)) C43H82NO8P 771.57782 HMDB05348 PFEM_hmdb_metabocards_official NA NA +HMDB07946 PC(15:0/20:2(11Z,14Z)) C43H82NO8P 771.57782 NA HMDB2010 NA NA +HMDB08330 PC(20:2(11Z,14Z)/15:0) C43H82NO8P 771.57782 NA HMDB2010 NA NA +HMDB08882 PE(14:1(9Z)/24:1(15Z)) C43H82NO8P 771.57782 NA HMDB2010 NA NA +HMDB08942 PE(16:0/22:2(13Z,16Z)) C43H82NO8P 771.57782 NA HMDB2010 NA NA +HMDB08974 PE(16:1(9Z)/22:1(13Z)) C43H82NO8P 771.57782 NA HMDB2010 NA NA +HMDB09000 PE(18:0/20:2(11Z,14Z)) C43H82NO8P 771.57782 NA HMDB2010 NA NA +HMDB09032 PE(18:1(11Z)/20:1(11Z)) C43H82NO8P 771.57782 NA HMDB2010 NA NA +HMDB09065 PE(18:1(9Z)/20:1(11Z)) C43H82NO8P 771.57782 NA HMDB2010 NA NA +HMDB09097 PE(18:2(9Z,12Z)/20:0) C43H82NO8P 771.57782 NA HMDB2010 NA NA +HMDB09225 PE(20:0/18:2(9Z,12Z)) C43H82NO8P 771.57782 NA HMDB2010 NA NA +HMDB09256 PE(20:1(11Z)/18:1(11Z)) C43H82NO8P 771.57782 NA HMDB2010 NA NA +HMDB09257 PE(20:1(11Z)/18:1(9Z)) C43H82NO8P 771.57782 NA HMDB2010 NA NA +HMDB09288 PE(20:2(11Z,14Z)/18:0) C43H82NO8P 771.57782 NA HMDB2010 NA NA +HMDB09518 PE(22:1(13Z)/16:1(9Z)) C43H82NO8P 771.57782 NA HMDB2010 NA NA +HMDB09550 PE(22:2(13Z,16Z)/16:0) C43H82NO8P 771.57782 NA HMDB2010 NA NA +HMDB09746 PE(24:1(15Z)/14:1(9Z)) C43H82NO8P 771.57782 NA HMDB2010 NA NA +HMDB10564 PE-NMe2(18:1(9Z)/18:1(9Z)) C43H82NO8P 771.57782 NA HMDB2010 NA NA +MJ093860 2-Amino-9-methyl-4,7-octadecadiene-1,3,9-triol, N-(2R-Hydroxyoctadecanoyl), 1-O-?-D-glucopyranoside C43H81NO10 771.586047 NA MeJP NA NA +MJ093861 2-Amino-9-methylene-4-octadecene-1,3,8-triol, N-(2R-Hydroxyoctadecanoyl), 1-O-?-D-glucopyranoside C43H81NO10 771.586047 NA MeJP NA NA +HMDB08062 PC(18:0/P-18:1(11Z)) C44H86NO7P 771.614197 NA HMDB2010 NA NA +HMDB08063 PC(18:0/P-18:1(9Z)) C44H86NO7P 771.614197 NA HMDB2010 NA NA +HMDB08094 PC(18:1(11Z)/P-18:0) C44H86NO7P 771.614197 NA HMDB2010 NA NA +HMDB08127 PC(18:1(9Z)/P-18:0) C44H86NO7P 771.614197 NA HMDB2010 NA NA +HMDB08324 PC(20:1(11Z)/P-16:0) C44H86NO7P 771.614197 NA HMDB2010 NA NA +HMDB11216 PC(P-16:0/20:1(11Z)) C44H86NO7P 771.614197 NA HMDB2010 NA NA +HMDB11242 PC(P-18:0/18:1(11Z)) C44H86NO7P 771.614197 NA HMDB2010 NA NA +HMDB11243 PC(P-18:0/18:1(9Z)) C44H86NO7P 771.614197 NA HMDB2010 NA NA +HMDB11274 PC(P-18:1(11Z)/18:0) C44H86NO7P 771.614197 NA HMDB2010 NA NA +HMDB11307 PC(P-18:1(9Z)/18:0) C44H86NO7P 771.614197 NA HMDB2010 NA NA +HMDB13418 PC(o-18:0/18:2(9Z,12Z)) C44H86NO7P 771.614197 NA HMDB2010 NA NA +HMDB13428 PC(o-18:1(9Z)/18:1(11Z)) C44H86NO7P 771.614197 NA HMDB2010 NA NA +MJ093862 3,5',7',7'-Tetrabromo-1',4-dibutyl-4'-(dibromomethylene)spiro[furan-2(5H),6'-[3]oxabicyclo[3.2.0]heptane]-2',5-dione C18H18Br6O4 771.630534 NA MeJP NA NA +MJ093863 4,10,11,11,12,12-Hexabromo-3,9-dibutyl-1,7-dioxadispiro[4.0.4.2]dodeca-3,9-diene-2,8-dione C18H18Br6O4 771.630534 NA MeJP NA NA +MJ093864 Aluminium bismuth oxide (Al6Bi2O12) Al6Bi2O12 771.788972 NA MeJP NA NA +C15426 2,5-Bis[(iodomercuri)methyl]-p-dioxane C6H10Hg2I2O2 771.8183 NA KEGG NA NA +HMDB01459 Guanosine triphosphate adenosine C20H27N10O17P3 772.07684 http://www.hmdb.ca/metabolites/HMDB01459 HMDB NA NA +HMDB01459 Guanosine triphosphate adenosine C20H27N10O17P3 772.07684 HMDB01459 PFEM_hmdb_metabocards_official NA NA +HMDB01459 Guanosine triphosphate adenosine C20H27N10O17P3 772.076843 NA HMDB2010 NA NA +MJ093865 Leptosin B C32H32N6O7S5 772.0936 NA MeJP NA NA +MJ093866 Leptosin G2 C32H32N6O7S5 772.0936 NA MeJP NA NA +MJ093867 1,5-Anhydroglucitol, 2,6-Bis(galloylgalloyl) C34H28O21 772.112307 NA MeJP NA NA +MJ093868 1,5-Anhydroglucitol, 2-O-(3,4,5-Trihydroxybenzoyl), 6-O-(galloylgalloylgalloyl) C34H28O21 772.112307 NA MeJP NA NA +MJ093869 1,5-Anhydroglucitol, 6-O-(3,4,5-Trihydroxybenzoyl), 2-O-(galloylgalloylgalloyl) C34H28O21 772.112307 NA MeJP NA NA +MJ093870 proto-Quercitol, 1,2,4,5-Tetrakis(3,4,5-trihydroxybenzoyl) C34H28O21 772.112307 NA MeJP NA NA +MJ093871 proto-Quercitol, 1,3,4,5-Tetrakis(3,4,5-trihydroxybenzoyl) C34H28O21 772.112307 NA MeJP NA NA +MJ093872 scyllo-Quercitol; 1,2,3,4-Tetrakis-O-(3,4,5-trihydroxybenzoyl) C34H28O21 772.112307 NA MeJP NA NA +MJ093873 Ellagic acid; 2-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C32H36O22 772.169822 NA MeJP NA NA +PJ031621 CCCCNNN C24H40N10O11S4 772.1761 NA PeJP NA NA +PJ031622 SCCCNDE C25H40N8O14S3 772.1826 NA PeJP NA NA +PJ031623 GGSCCCDE C25H40N8O14S3 772.1827 NA PeJP NA NA +PJ031624 PCCCCNM C26H44N8O9S5 772.1835 NA PeJP NA NA +FL3FACDS0017 Isoorientin 4'-O-glucoside-2''-O-(E)-caffeate C36H36O19 772.18507 64763-01-5 knapsack NA NA +FL3FACGS0082 Luteolin 7-glucosyl-(1->6)-(4'''-caffeoylglucoside) C36H36O19 772.18507 - knapsack NA NA +FL3FECGS0021 6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside) C36H36O19 772.18507 113720-08-4 knapsack NA NA +FL5FAAGA0032 Kaempferol 3-(6'''-caffeylglucosyl)-(1->2)-galactoside C36H36O19 772.18507 107140-37-4 knapsack NA NA +FL5FAAGL0080 Kaempferol 3-caffeylsophoroside C36H36O19 772.18507 130425-54-6 knapsack NA NA +FL5FACGL0078 Quercetin 3-O-beta-(6''-O-E-p-coumaroylglucoside)-7-O-beta-glucoside C36H36O19 772.18507 473919-25-4 knapsack NA NA +MJ093874 3',4',5,6,7-Pentahydroxyflavone; 7-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C36H36O19 772.185078 NA MeJP NA NA +MJ093875 Astragalin; 2''-O-[2,5-Dihydroxycinnamoyl-(?6)-?-D-glucopyranosyl] C36H36O19 772.185078 NA MeJP NA NA +MJ093876 Astragalin; 2''-O-[3,4-Dihydroxycinnamoyl-(??)-?-D-glucopyranosyl] C36H36O19 772.185078 NA MeJP NA NA +MJ093877 Isoorientin; 2''-O-[3,4-Dihydroxycinnamoyl-(??)-?-D-glucopyranoside] C36H36O19 772.185078 NA MeJP NA NA +MJ093878 Isoorientin; 2''-O-[?-D-Glucopyranosyl-(1?4)-3,4-dihydroxy-E-cinnamoyl] C36H36O19 772.185078 NA MeJP NA NA +MJ093879 Populnin; 3-O-[3,4-Dihydroxycinnamoyl-(??)-?-D-glucopyranoside] C36H36O19 772.185078 NA MeJP NA NA +MJ093880 Trifolin; 2''-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranosyl] C36H36O19 772.185078 NA MeJP NA NA +MJ093881 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-?-D-Galactopyranoside, 5-O-[4-hydroxycinnamoyl-(?6)-?-D-glucopyranoside] C36H37O19(+) 772.185079 NA MeJP NA NA +MJ093882 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-[4-hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C36H37O19(+) 772.185079 NA MeJP NA NA +MJ093883 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C36H37O19(+) 772.185079 NA MeJP NA NA +MJ093884 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 3'-O-[3,4-dihydroxycinnamoyl-(?6)-?-D-glucopyranoside] C36H37O19(+) 772.185079 NA MeJP NA NA +MJ093885 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-[6-O-(3,4-dihydroxycinnamoyl)-?-D-glucopyranoside](E-) C36H37O19(+) 772.185079 NA MeJP NA NA +MJ093886 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C36H37O19(+) 772.185079 NA MeJP NA NA +PJ031625 GSCCCDW C29H40N8O11S3 772.1979 NA PeJP NA NA +PJ031626 GSSSCCDD C25H40N8O16S2 772.2004 NA PeJP NA NA +PJ031627 GCCNDMM C26H44N8O11S4 772.2013 NA PeJP NA NA +C12635 Kaempferol C33H40O21 772.2062 NA KEGG NA NA +FL3FACDS0011 Isoorientin 4',2''-di-O-glucoside C33H40O21 772.2062 63316-26-7 knapsack NA NA +FL3FACDS0012 Isoorientin 3',6''-di-O-glucoside C33H40O21 772.2062 98568-81-1 knapsack NA NA +FL3FACDS0015 Isoorientin 3'-O-sophoroside C33H40O21 772.2062 102149-00-8 knapsack NA NA +FL3FACDS0024 Lucenin-2,3'-O-glucoside C33H40O21 772.2062 - knapsack NA NA +FL3FACGS0047 Luteolin 7-gentiobioside-4'-glucoside C33H40O21 772.2062 89718-43-4 knapsack NA NA +FL3FACGS0080 Luteolin 7-sophorotrioside;Luteolin 7-O-(beta-D-glucopyranosyl-2-glucopyranoside);7-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one C33H40O21 772.2062 205326-77-8 knapsack NA NA +FL3FFCGS0023 Hypolaetin 8-glucoside-3'-rutinoside;8-Hydroxyluteolin 8-glucoside-3'-rutinoside;2-[3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-4-hydroxyphenyl]-8-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one C33H40O21 772.2062 219135-83-8 knapsack NA NA +FL5FAAGA0020 Kaempferol 3-glucosyl-(1->2)-galactoside-7-glucoside;3-[(2-O-beta-D-Glucopyranosyl-beta-D-galactopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C33H40O21 772.2062 142235-82-3 knapsack NA NA +FL5FAAGL0021 Kaempferol 3-sophorotrioside C33H40O21 772.2062 80714-53-0 knapsack NA NA +FL5FAAGL0022 Sorboside C33H40O21 772.2062 16839-04-6 knapsack NA NA +FL5FAAGL0028 Kaempferol 3-glucosyl-(1->2)-gentiobioside C33H40O21 772.2062 55696-59-8 knapsack NA NA +FL5FAAGL0035 Kaempferol 3-sophoroside-7-glucoside C33H40O21 772.2062 55136-76-0 knapsack NA NA +FL5FAAGL0039 Kaempferol 3-gentiobioside-7-glucoside C33H40O21 772.2062 84543-10-2 knapsack NA NA +FL5FAAGL0049 Kaempferol 3-sophoroside-4'-glucoside C33H40O21 772.2062 132923-22-9 knapsack NA NA +FL5FAAGL0051 Kaempferol 3-glucoside-7-sophoroside C33H40O21 772.2062 135264-85-6 knapsack NA NA +FL5FAAGL0052 Kaempferol 3-glucoside-7-gentiobioside C33H40O21 772.2062 60778-01-0 knapsack NA NA +FL5FAAGL0110 Kaempferol 3,7,4'-triglucoside C33H40O21 772.2062 108887-48-5 knapsack NA NA +FL5FAAGS0083 Kaempferol 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside;3-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C33H40O21 772.2062 197250-98-9 knapsack NA NA +FL5FAAGS0086 Kaempferol 7-(3G-glucosylgentiobioside);Kaempferol 7-O-beta-D-glucopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1-->6)]-glucopyranoside;7-[(O-beta-D-glucopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C33H40O21 772.2062 557102-62-2 knapsack NA NA +FL5FAAGS0095 Kaempferol 3-gentiobioside-4'-glucoside;3-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one C33H40O21 772.2062 288626-57-3 knapsack NA NA +FL5FACGA0015 Quercetin 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside C33H40O21 772.2062 134953-93-8 knapsack NA NA +FL5FACGA0019 Quercetin 3-rhamnosyl-(1->2)[glucosyl-(1->6)-galactoside];Quercetin 3-(6'''-rhamnosylgentiobioside);3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C33H40O21 772.2062 123493-51-6 knapsack NA NA +FL5FACGA0021 Quercetin 3-rhamnosyl-(1->2)-galactoside-7-glucoside C33H40O21 772.2062 128988-57-8 knapsack NA NA +FL5FACGA0022 Quercetin 3-robinobioside-7-glucoside C33H40O21 772.2062 29826-50-4 knapsack NA NA +FL5FACGA0024 Quercetin 3-galactoside-7-neohesperidoside C33H40O21 772.2062 120552-48-9 knapsack NA NA +FL5FACGA0025 Quercetin 3-galactoside-7-glucosyl-(1->4)-rhamnoside C33H40O21 772.2062 142130-51-6 knapsack NA NA +FL5FACGL0022 Quercetin 3-(3R-glucosylrutinoside) C33H40O21 772.2062 136449-10-0 knapsack NA NA +FL5FACGL0028 Quercetin 3-(2G-glucosylrutinoside) C33H40O21 772.2062 55696-55-4 knapsack NA NA +FL5FACGL0029 Quercetin 3-(2G-rhamnosylgentiobioside) C33H40O21 772.2062 55780-29-5 knapsack NA NA +FL5FACGL0034 Quercetin 3-sophoroside-7-rhamnoside C33H40O21 772.2062 64828-40-6 knapsack NA NA +FL5FACGL0038 Quercetin 3-neohesperidoside-7-glucoside C33H40O21 772.2062 - knapsack NA NA +FL5FACGL0040 Quercetin 3-rutinoside-7-galactoside C33H40O21 772.2062 50867-29-3 knapsack NA NA +FL5FACGL0041 Quercetin 3-rutinoside-7-glucoside C33H40O21 772.2062 30311-61-6 knapsack NA NA +FL5FACGL0045 Quercetin 3-rutinoside-4'-glucoside C33H40O21 772.2062 89439-59-8 knapsack NA NA +FL5FACGL0047 Quercetin 3-glucoside-7-neohesperidoside C33H40O21 772.2062 120662-37-5 knapsack NA NA +FL5FACGL0048 Quercetin 3-glucoside-7-rutinoside C33H40O21 772.2062 28288-95-1 knapsack NA NA +FL5FACGL0049 Quercetin 3-glucoside-7-glucosyl-(1->4)-rhamnoside C33H40O21 772.2062 142059-75-4 knapsack NA NA +FL5FACGS0042 Quercetin 3-glucosyl-(1->6)-glucosyl-(1->4)-rhamnoside C33H40O21 772.2062 59262-55-4 knapsack NA NA +FL5FACGS0074 Quercetin 3-rhamnosyl-(1->2)-glucosyl-(1->6)-galactoside;3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C33H40O21 772.2062 420113-07-1 knapsack NA NA +FL5FACGS0075 Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside;3-[(O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C33H40O21 772.2062 211947-57-8 knapsack NA NA +FL5FACGS0078 Quercetin 3-glucosyl-(1->2)-[rhamnosyl-(1->6)-galactoside];Peruvianoside III;3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-glucopyranosyl-(1->2)]-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C33H40O21 772.2062 366014-83-7 knapsack NA NA +FL5FACGS0081 Quercetin 3-glucosyl-(1->2)-rhamnoside-7-glucoside;3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one C33H40O21 772.2062 245036-42-4 knapsack NA NA +FL5FAGGA0005 Myricetin 3-robinobioside-7-rhamnoside C33H40O21 772.2062 151676-94-7 knapsack NA NA +FL5FAGGL0009 Myricetin 3-rutinoside-7-rhamnoside C33H40O21 772.2062 - knapsack NA NA +FL5FAGGS0025 Myricetin 3-(2G-rhamnosylrutinoside);Myricetin 3-O-(2'',6''-di-O-alpha-rhamnosyl)-beta-glucoside; 3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C33H40O21 772.2062 199985-43-8 knapsack NA NA +FL5FCCGS0011 Quercetin 7-methyl ether 3-alpha-L-arabinopyranosyl-(1->3)-[galactosyl-(1->6)-galactoside];Rhamnetin 3-alpha-L-arabinopyranosyl-(1->3)-[galactosyl-(1->6)-galactoside];3-[(O-alpha-L-arabinopyranosyl-(1->3)-O-[beta-D-galactopyranosyl-(1->6)]-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one C33H40O21 772.2062 475109-06-9 knapsack NA NA +FL5FEAGL0003 6-Hydroxykaempferol 3-rutinoside-6-glucoside C33H40O21 772.2062 145134-63-0 knapsack NA NA +MJ093887 3',4',5',7,8-Pentahydroxyflavone; 3'-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 8-O-?-D-glucopyranoside C33H40O21 772.206208 NA MeJP NA NA +MJ093888 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside], 7-O-?-L-rhamnopyranoside C33H40O21 772.206208 NA MeJP NA NA +MJ093889 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-L-rhamnopyranoside C33H40O21 772.206208 NA MeJP NA NA +MJ093890 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1??)-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside]] C33H40O21 772.206208 NA MeJP NA NA +MJ093891 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093892 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-Arabinoside, 3',4'-di-O-?-D-glucopyranoside C33H40O21 772.206208 NA MeJP NA NA +MJ093893 3,4',5,6,7-Pentahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 6-O-?-D-glucopyranoside C33H40O21 772.206208 NA MeJP NA NA +MJ093894 6,8-Diglucopyranosyl-3',4',5,5',7-pentahydroxyflavone; O'''-Rhamnoside C33H40O21 772.206208 NA MeJP NA NA +MJ093895 Astragalin; 2''-O-?-D-Glucopyranosyl, 4'-O-?-D-glucopyranoside C33H40O21 772.206208 NA MeJP NA NA +MJ093896 Astragalin; 2''-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranosyl] C33H40O21 772.206208 NA MeJP NA NA +MJ093897 Astragalin; 3''-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucopyranosyl] C33H40O21 772.206208 NA MeJP NA NA +MJ093898 Astragalin; 4',7-Di-O-?-D-glucopyranoside C33H40O21 772.206208 NA MeJP NA NA +MJ093899 Astragalin; 6''-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl] C33H40O21 772.206208 NA MeJP NA NA +MJ093900 Astragalin; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093901 Astragalin; 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093902 Hyperin; 2''-O-?-L-Rhamnopyranosyl, 6''-O-?-D-glucopyranosyl C33H40O21 772.206208 NA MeJP NA NA +MJ093903 Hyperin; 6''-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl] C33H40O21 772.206208 NA MeJP NA NA +MJ093904 Hyperin; 6''-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranosyl] C33H40O21 772.206208 NA MeJP NA NA +MJ093905 Hyperin; 7-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093906 Hyperin; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093907 Isoorientin; 2''-O-?-D-Glucopyranosyl, 4'-O-?-D-glucopyranoside C33H40O21 772.206208 NA MeJP NA NA +MJ093908 Isoorientin; 3'-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093909 Isoorientin; 6''-O-?-D-Glucopyranosyl, 3'-O-?-D-glucopyranoside C33H40O21 772.206208 NA MeJP NA NA +MJ093910 Isoorientin; 6''-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093911 Isoorientin; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093912 Isoquercitrin; 6''-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl] C33H40O21 772.206208 NA MeJP NA NA +MJ093913 Isoquercitrin; 7-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093914 Isoquercitrin; 7-O-[?-L-Rhamnosyl-(1??)-fructoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093915 Isoquercitrin; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093916 Isoquercitrin; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093917 Isoquercitrin; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093918 Isoquercitrin; O''-Rhamnosyl, 4'-O-?-D-glucopyranoside C33H40O21 772.206208 NA MeJP NA NA +MJ093919 Isoquercitrin; O''-Rhamnosyl, 7-O-glucoside C33H40O21 772.206208 NA MeJP NA NA +MJ093920 Lucenin 2; 3'-O-?-D-Glucopyranoside C33H40O21 772.206208 NA MeJP NA NA +MJ093921 Populnin; 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093922 Populnin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093923 Populnin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093924 Populnin; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093925 Quercimeritrin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093926 Quercimeritrin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093927 Rutin; 2''-O-?-D-Glucopyranosyl C33H40O21 772.206208 NA MeJP NA NA +MJ093928 Rutin; 4'-O-?-D-Glucopyranoside C33H40O21 772.206208 NA MeJP NA NA +MJ093929 Rutin; 7-O-?-D-Glucopyranoside C33H40O21 772.206208 NA MeJP NA NA +MJ093930 Rutin; 7-O-D-Galactopyranoside C33H40O21 772.206208 NA MeJP NA NA +MJ093931 Vincetoxicoside B; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C33H40O21 772.206208 NA MeJP NA NA +MJ093932 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C33H41O21(+) 772.206208 NA MeJP NA NA +MJ093933 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 7-O-?-D-glucopyranoside C33H41O21(+) 772.206208 NA MeJP NA NA +MJ093934 3,3',4',5,7-Pentahydroxyflavylium(1+); 3,3',5-Tri-O-?-D-glucopyranoside C33H41O21(+) 772.206208 NA MeJP NA NA +MetaCyc04122 quercetin-3-O-[glucosyl(1->6)glucoside]-7-O-rhamnoside [quercetin 3-O-β-[β-D-glucopyranosyl(1->6)D-glucopyranoside]-7-O-α-L-rhamnopyranoside;] C33H40O21 772.206208 NA metacyc NA NA +PJ031628 GCCCCER C25H44N10O10S4 772.2125 NA PeJP NA NA +PJ031629 GCCNDDF C29H40N8O13S2 772.2157 NA PeJP NA NA +PJ031630 CCCQMW C30H44N8O8S4 772.2165 NA PeJP NA NA +PJ031631 SSCCNEM C26H44N8O13S3 772.219 NA PeJP NA NA +PJ031632 GCCCNHH C27H40N12O9S3 772.2204 NA PeJP NA NA +MJ093935 1,2,3,4,6,8,9,13,14-Nonahydroxydihydro-?-agarofuran, 8-Ketone, 13-benzoyl, 3-(3-furancarbonyl), 1,2,6,9,14-penta-Ac C37H40O18 772.221464 NA MeJP NA NA +PJ031633 DDDDMY C30H40N6O16S 772.2222 NA PeJP NA NA +PJ031634 DDMMMM C28H48N6O11S4 772.2264 NA PeJP NA NA +PJ031635 CCCCRW C29H44N10O7S4 772.2278 NA PeJP NA NA +PJ031636 SSCCCDR C25H44N10O12S3 772.2303 NA PeJP NA NA +MJ093936 Methanopterin C30H41N6O16P 772.231665 NA MeJP NA NA +PJ031637 GSCNDDY C29H40N8O15S 772.2334 NA PeJP NA NA +PJ031638 GSSCCMW C30H44N8O10S3 772.2343 NA PeJP NA NA +MJ093937 Paulomycin A; 3''-O-De-Me C33H44N2O17S 772.236068 NA MeJP NA NA +MJ093938 Paulomycin B C33H44N2O17S 772.236068 NA MeJP NA NA +PJ031639 GSSSSCDM C26H44N8O15S2 772.2368 NA PeJP NA NA +PJ031640 ASCCQMM C27H48N8O10S4 772.2376 NA PeJP NA NA +PJ031641 GSCNMMM C27H48N8O10S4 772.2377 NA PeJP NA NA +PJ031642 DDDMMF C31H44N6O13S2 772.2408 NA PeJP NA NA +FL2FAEGS0007 Alhagidin;5,7,3'-Trihydroxy-4'-methoxyflavanone 7-galactosyl-(1->2)-[rhamnosyl-(1->6)]glucoside C34H44O20 772.24259 238750-98-6 knapsack NA NA +MJ093939 3',5,7-Trihydroxy-4'-methoxyflavanone, 7-O-[?-D-Galactopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C34H44O20 772.242593 NA MeJP NA NA +PJ031643 CDMMHH C29H44N10O9S3 772.2455 NA PeJP NA NA +PJ031644 GTCCCMR C26H48N10O9S4 772.2489 NA PeJP NA NA +PJ031645 DDEEEH C29H40N8O17 772.2512 NA PeJP NA NA +PJ031646 SSSTCCW C30H44N8O12S2 772.252 NA PeJP NA NA +PJ031647 GGGGCEMY C30H44N8O12S2 772.2521 NA PeJP NA NA +PJ031648 CCCKMW C31H48N8O7S4 772.2529 NA PeJP NA NA +PJ031649 SSSSSSCE C26H44N8O17S 772.2545 NA PeJP NA NA +PJ031650 DDDDFF C34H40N6O15 772.2552 NA PeJP NA NA +PJ031651 SSSCQMM C27H48N8O12S3 772.2554 NA PeJP NA NA +PJ031652 GCNNNDH C27H40N12O13S 772.2559 NA PeJP NA NA +PJ031653 SDEEMY C31H44N6O15S 772.2586 NA PeJP NA NA +PJ031654 PCEMMY C32H48N6O10S3 772.2594 NA PeJP NA NA +PJ031655 CDDHHF C32H40N10O11S 772.2599 NA PeJP NA NA +PJ031656 GSNDDEH C28H40N10O16 772.2624 NA PeJP NA NA +PJ031657 TEMMMM C29H52N6O10S4 772.2628 NA PeJP NA NA +PJ031658 CCNDRY C29H44N10O11S2 772.2633 NA PeJP NA NA +PJ031659 CCHHHH C30H40N14O7S2 772.2646 NA PeJP NA NA +PJ031660 SSSCCMR C26H48N10O11S3 772.2666 NA PeJP NA NA +PJ031661 GCNMYW C34H44N8O9S2 772.2673 NA PeJP NA NA +PJ031662 GSSNDMY C30H44N8O14S 772.2698 NA PeJP NA NA +PJ031663 GPCCCKY C31H48N8O9S3 772.2707 NA PeJP NA NA +MJ093940 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 2,8,9-Tribenzoyl, 1,6,14-tri-Ac C42H44O14 772.273106 NA MeJP NA NA +MJ093941 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,8,9-Tribenzoyl, 2,6,14-tri-Ac C42H44O14 772.273106 NA MeJP NA NA +PJ031664 GSSSSSMM C27H48N8O14S2 772.2732 NA PeJP NA NA +PJ031665 PCDEFY C35H44N6O12S 772.2738 NA PeJP NA NA +PJ031666 GTCCKMM C28H52N8O9S4 772.274 NA PeJP NA NA +PJ031667 AEEMMY C32H48N6O12S2 772.2772 NA PeJP NA NA +PJ031668 SNDDHW C32H40N10O13 772.2777 NA PeJP NA NA +PJ031669 PCCQHW C33H44N10O8S2 772.2785 NA PeJP NA NA +PJ031670 NNEEMH C29H44N10O13S 772.281 NA PeJP NA NA +PJ031671 GGGGEEMH C29H44N10O13S 772.2811 NA PeJP NA NA +PJ031672 VMMMMM C30H56N6O7S5 772.2814 NA PeJP NA NA +PJ031673 CCNMFR C30H48N10O8S3 772.2819 NA PeJP NA NA +PJ031674 SSCQYW C34H44N8O11S 772.285 NA PeJP NA NA +PJ031675 GGSTCYW C34H44N8O11S 772.2851 NA PeJP NA NA +PJ031676 SSSSNEY C30H44N8O16 772.2875 NA PeJP NA NA +PJ031677 GGSSSSEY C30H44N8O16 772.2876 NA PeJP NA NA +PJ031678 SNQMMY C31H48N8O11S2 772.2884 NA PeJP NA NA +PJ031679 SSSSSSTM C27H48N8O16S 772.2909 NA PeJP NA NA +PJ031680 SPDEYY C35H44N6O14 772.2916 NA PeJP NA NA +PJ031681 SSSCKMM C28H52N8O11S3 772.2918 NA PeJP NA NA +PJ031682 CNDEHR C28H44N12O12S 772.2923 NA PeJP NA NA +PJ031683 PPCMYY C36H48N6O9S2 772.2924 NA PeJP NA NA +PJ031684 PCEMFF C36H48N6O9S2 772.2925 NA PeJP NA NA +MJ093942 3,5,6,11,14,15,17-Heptahydroxy-9-segetanone, 3-Benzoyl, 5-(2-acetoxyacetyl), 6,11,14,17-tetra-Ac C39H48O16 772.294235 NA MeJP NA NA +MJ093943 Paralinone A; 11?-Acetoxy C39H48O16 772.294235 NA MeJP NA NA +PJ031685 TTEEMY C32H48N6O14S 772.2949 NA PeJP NA NA +PJ031686 PTMMMY C33H52N6O9S3 772.2958 NA PeJP NA NA +PJ031687 GNEMHW C33H44N10O10S 772.2963 NA PeJP NA NA +PJ031688 GSSQEEH C29H44N10O15 772.2988 NA PeJP NA NA +PJ031689 SCNMRY C30H48N10O10S2 772.2996 NA PeJP NA NA +PJ031690 GGSCMRY C30H48N10O10S2 772.2997 NA PeJP NA NA +PJ031691 NNDHHH C30H40N14O11 772.3001 NA PeJP NA NA +PJ031692 GGGGDHHH C30H40N14O11 772.3002 NA PeJP NA NA +PJ031693 GCNFFW C38H44N8O8S 772.3003 NA PeJP NA NA +PJ031694 GSSSSYW C34H44N8O13 772.3028 NA PeJP NA NA +PJ031695 ACCKYW C35H48N8O8S2 772.3037 NA PeJP NA NA +PJ031696 GSSTQMY C31H48N8O13S 772.3062 NA PeJP NA NA +PJ031697 EEFYW C39H44N6O11 772.3068 NA PeJP NA NA +PJ031698 CNKMMF C32H52N8O8S3 772.3071 NA PeJP NA NA +PJ031699 GCDHRW C32H44N12O9S 772.3075 NA PeJP NA NA +7689 ACE inhibitor from ovalbumin NIFYCP 772.3099 antioxidative Inhouse_peptide NA peptide +PJ031700 GSSDDHR C28H44N12O14 772.31 NA PeJP NA NA +PJ031701 GGGGGGGGSPN C28H44N12O14 772.3101 NA PeJP NA NA +PJ031702 APEMYY C36H48N6O11S 772.3102 NA PeJP NA NA +PJ031703 GPTCCHR C29H48N12O9S2 772.3109 NA PeJP NA NA +PJ031704 NMHWW C37H44N10O7S 772.3115 NA PeJP NA NA +PJ031705 GGMHWW C37H44N10O7S 772.3116 NA PeJP NA NA +PJ031706 SLEMMY C33H52N6O11S2 772.3136 NA PeJP NA NA +PJ031707 SSQEHW C33H44N10O12 772.314 NA PeJP NA NA +PJ031708 GGGGPNEW C33H44N10O12 772.3141 NA PeJP NA NA +PJ031709 PCCKHW C34H48N10O7S2 772.3149 NA PeJP NA NA +PJ031710 GSSTCRY C30H48N10O12S 772.3174 NA PeJP NA NA +PJ031711 NQYYW C38H44N8O10 772.3181 NA PeJP NA NA +PJ031712 SSCKYW C35H48N8O10S 772.3214 NA PeJP NA NA +MJ093944 Phalloin C35H48N8O10S 772.32141 NA MeJP NA NA +PJ031713 GGGAAMFY C35H48N8O10S 772.3215 NA PeJP NA NA +MJ093945 Tawicyclamide B C36H52N8O5S3 772.322278 NA MeJP NA NA +PJ031714 SSSSDKY C31H48N8O15 772.3239 NA PeJP NA NA +PJ031715 GPVNEEE C31H48N8O15 772.324 NA PeJP NA NA +PJ031716 SNKMMY C32H52N8O10S2 772.3248 NA PeJP NA NA +PJ031717 NNNQHF C32H44N12O11 772.3253 NA PeJP NA NA +PJ031718 PPCFFY C40H48N6O8S 772.3255 NA PeJP NA NA +PJ031719 GLEEYY C36H48N6O13 772.328 NA PeJP NA NA +PJ031720 SNEMHR C29H48N12O11S 772.3286 NA PeJP NA NA +PJ031721 GGSEMHR C29H48N12O11S 772.3287 NA PeJP NA NA +PJ031722 PCLMFY C37H52N6O8S2 772.3288 NA PeJP NA NA +PJ031723 GSTHWW C37H44N10O9 772.3293 NA PeJP NA NA +C13849 Correolide C40H52O15 772.3306 NA KEGG NA NA +C13850 Transferred to D02147 C40H52O15 772.3306 NA KEGG NA NA +PJ031724 VVMMMY C34H56N6O8S3 772.3322 NA PeJP NA NA +PJ031725 PPCDRW C34H48N10O9S 772.3327 NA PeJP NA NA +PJ031726 SSSSSRY C30H48N10O14 772.3352 NA PeJP NA NA +PJ031727 TCCKRY C31H52N10O9S2 772.336 NA PeJP NA NA +PJ031728 GGLQMMH C31H52N10O9S2 772.3361 NA PeJP NA NA +PJ031729 SQQHHH C31H44N14O10 772.3365 NA PeJP NA NA +PJ031730 GPPMWW C39H48N8O7S 772.3367 NA PeJP NA NA +PJ031731 PVNEEW C35H48N8O12 772.3392 NA PeJP NA NA +PJ031732 SCDHRR C28H48N14O10S 772.3399 NA PeJP NA NA +PJ031733 GSSTKMY C32H52N8O12S 772.3426 NA PeJP NA NA +MJ093946 Bouvardin C40H48N6O10 772.343191 NA MeJP NA NA +PJ031734 LEYYW C40H48N6O10 772.3432 NA PeJP NA NA +PJ031735 GSMHRW C33H48N12O8S 772.3439 NA PeJP NA NA +PJ031736 HHFFW C41H44N10O6 772.3446 NA PeJP NA NA +PJ031737 PDDDRR C29H48N12O13 772.3464 NA PeJP NA NA +PJ031738 GGGGGGGGGGAL C29H48N12O13 772.3465 NA PeJP NA NA +PJ031739 SPLMYY C37H52N6O10S 772.3466 NA PeJP NA NA +PJ031740 AQMMHR C30H52N12O8S2 772.3473 NA PeJP NA NA +PJ031741 GPEERW C34H48N10O11 772.3504 NA PeJP NA NA +PJ031742 GGGGPDKW C34H48N10O11 772.3505 NA PeJP NA NA +PJ031743 GSPPEMR C31H52N10O11S 772.3538 NA PeJP NA NA +PJ031744 SPPTWW C39H48N8O9 772.3544 NA PeJP NA NA +PJ031745 GPVEWW C39H48N8O9 772.3545 NA PeJP NA NA +MJ093947 Nudicauline; O14-De-Ac, O14-benzoyl C43H52N2O11 772.35711 NA MeJP NA NA +MJ093948 Pluramycin A C43H52N2O11 772.35711 NA MeJP NA NA +PJ031746 NNNQQR C28H48N14O12 772.3576 NA PeJP NA NA +PJ031747 GGGGNQQR C28H48N14O12 772.3577 NA PeJP NA NA +PJ031748 PPDKMW C36H52N8O9S 772.3578 NA PeJP NA NA +PJ031749 ACMHRR C29H52N14O7S2 772.3585 NA PeJP NA NA +PJ031750 SSSTTKY C32H52N8O14 772.3603 NA PeJP NA NA +PJ031751 TCKKMY C33H56N8O9S2 772.3612 NA PeJP NA NA +PJ031752 SSTHRW C33H48N12O10 772.3617 NA PeJP NA NA +PJ031753 PCLFFF C41H52N6O7S 772.3619 NA PeJP NA NA +PJ031754 SVLEYY C37H52N6O12 772.3643 NA PeJP NA NA +PJ031755 SDKMHR C30H52N12O10S 772.365 NA PeJP NA NA +PJ031756 GGGAPQMR C30H52N12O10S 772.3651 NA PeJP NA NA +PJ031757 VVMMFF C38H56N6O7S2 772.3652 NA PeJP NA NA +PJ031758 PERWW C38H48N10O8 772.3657 NA PeJP NA NA +3513 ACE inhibitor (as1-CN 142-147) LAYFYP 772.367 ACE inhibitor Inhouse_peptide NA peptide +PJ031759 SPPMRW C35H52N10O8S 772.3691 NA PeJP NA NA +PJ031760 PVWWW C43H48N8O6 772.3697 NA PeJP NA NA +PJ031761 SSPVQQQ C31H52N10O13 772.3715 NA PeJP NA NA +PJ031762 PDKEER C31H52N10O13 772.3716 NA PeJP NA NA +PJ031763 AAPPMMR C32H56N10O8S2 772.3724 NA PeJP NA NA +PJ031764 SQKHHH C32H48N14O9 772.3729 NA PeJP NA NA +PJ031765 PVDKEW C36H52N8O11 772.3756 NA PeJP NA NA +PJ031766 SSMHRR C29H52N14O9S 772.3763 NA PeJP NA NA +PJ031767 QHFRW C37H48N12O7 772.3769 NA PeJP NA NA +PJ031768 SPPTLQM C33H56N8O11S 772.3789 NA PeJP NA NA +PJ031769 APPTKEM C33H56N8O11S 772.379 NA PeJP NA NA +PJ031770 APLFYY C41H52N6O9 772.3796 NA PeJP NA NA +PJ031771 VLMHHH C34H52N12O7S 772.3803 NA PeJP NA NA +PJ031772 SPEERR C30H52N12O12 772.3828 NA PeJP NA NA +PJ031773 ALLMYY C38H56N6O9S 772.383 NA PeJP NA NA +PJ031774 AKMMHR C31H56N12O7S2 772.3837 NA PeJP NA NA +PJ031775 SPVERW C35H52N10O10 772.3868 NA PeJP NA NA +PJ031776 PLQEMR C32H56N10O10S 772.3902 NA PeJP NA NA +PJ031777 APTLWW C40H52N8O8 772.3908 NA PeJP NA NA +PJ031778 GGPPLFW C40H52N8O8 772.3909 NA PeJP NA NA +PJ031779 GQQERR C29H52N14O11 772.394 NA PeJP NA NA +PJ031780 GGGAAERR C29H52N14O11 772.3941 NA PeJP NA NA +PJ031781 PVLQMW C37H56N8O8S 772.3942 NA PeJP NA NA +PJ031782 GPTLKEE C33H56N8O13 772.3967 NA PeJP NA NA +MJ093949 Iejimalide B; O-Sulfate C41H60N2O10S 772.396866 NA MeJP NA NA +PJ031783 GPPLKMM C34H60N8O8S2 772.3976 NA PeJP NA NA +PJ031784 SVQHFR C34H52N12O9 772.398 NA PeJP NA NA +PJ031785 GVQQRW C34H52N12O9 772.3981 NA PeJP NA NA +PJ031786 TTLLYY C38H56N6O11 772.4007 NA PeJP NA NA +PJ031787 PVDMRR C31H56N12O9S 772.4014 NA PeJP NA NA +PJ031788 APPFRW C39H52N10O7 772.4021 NA PeJP NA NA +MJ093950 Dregeana 4; 7,12-Dideacyl, 7,29-bis(2-hydroxy-3-methylpentanoyl), 12-Ac C42H60O13 772.403392 NA MeJP NA NA +PJ031789 GNDRRR C28H52N16O10 772.4053 NA PeJP NA NA +PJ031790 APLMRW C36H56N10O7S 772.4055 NA PeJP NA NA +PJ031791 LLNEER C32H56N10O12 772.4079 NA PeJP NA NA +PJ031792 VLQEER C32H56N10O12 772.408 NA PeJP NA NA +PJ031793 VKKMMH C33H60N10O7S2 772.4088 NA PeJP NA NA +PJ031794 QQRRW C33H52N14O8 772.4093 NA PeJP NA NA +PJ031795 PTLKEW C37H56N8O10 772.412 NA PeJP NA NA +PJ031796 PCNKRR C30H56N14O8S 772.4127 NA PeJP NA NA +PJ031797 KHFRW C38H52N12O6 772.4133 NA PeJP NA NA +PJ031798 APVVKEM C34H60N8O10S 772.4153 NA PeJP NA NA +PJ031799 GPVLKEM C34H60N8O10S 772.4154 NA PeJP NA NA +PJ031800 ALLFFY C42H56N6O8 772.416 NA PeJP NA NA +PJ031801 ALEERR C31H56N12O11 772.4192 NA PeJP NA NA +PJ031802 APHHRR C32H52N16O7 772.4205 NA PeJP NA NA +PJ031803 GLLERW C36H56N10O9 772.4232 NA PeJP NA NA +MJ093951 Spirostane-2,3,6-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside] C39H64O15 772.424521 NA MeJP NA NA +MJ093952 Spirostane-3,6,23-triol, 3,6-Di-O-?-D-glucopyranoside C39H64O15 772.424521 NA MeJP NA NA +PJ031804 PLKEMR C33H60N10O9S 772.4266 NA PeJP NA NA +PJ031805 GVLLWW C41H56N8O7 772.4272 NA PeJP NA NA +PJ031806 GQKERR C30H56N14O10 772.4304 NA PeJP NA NA +PJ031807 PVLKMW C38H60N8O7S 772.4306 NA PeJP NA NA +2995 kinases inhibitor KKALRRQEAFDAL 772.43195 MH2+ Inhouse_peptide NA peptide +PJ031808 AALLKEE C34H60N8O12 772.4331 NA PeJP NA NA +PJ031809 GVQKRW C35H56N12O8 772.4344 NA PeJP NA NA +PJ031810 GGGLKRW C35H56N12O8 772.4345 NA PeJP NA NA +PJ031811 PTLMRR C32H60N12O8S 772.4378 NA PeJP NA NA +PJ031812 LLRWW C40H56N10O6 772.4385 NA PeJP NA NA +PJ031813 GTQRRR C29H56N16O9 772.4417 NA PeJP NA NA +PJ031814 VLKEER C33H60N10O11 772.4443 NA PeJP NA NA +PJ031815 GGAALKKE C33H60N10O11 772.4444 NA PeJP NA NA +PJ031816 QKRRW C34H56N14O7 772.4457 NA PeJP NA NA +PJ031817 VVLKEW C38H60N8O9 772.4484 NA PeJP NA NA +3007 kinases inhibitor KKALRRQEAVYAL 772.45 MH2+ Inhouse_peptide NA peptide +PJ031818 APTLLKM C35H64N8O9S 772.4517 NA PeJP NA NA +MJ093953 Streptothricin; Streptothricin D, N5-Me C32H60N12O10 772.455536 NA MeJP NA NA +PJ031819 SLLERR C32H60N12O10 772.4556 NA PeJP NA NA +PJ031820 SVLLRW C37H60N10O8 772.4596 NA PeJP NA NA +MJ093954 Furostane-3,22,26-triol, 22-Me ether, 3-O-?-D-glucopyranoside, 26-O-?-D-glucopyranoside C40H68O14 772.460906 NA MeJP NA NA +MJ093955 Furostane-3,22,26-triol, 22-Me ether, 3,26-di-O-?-D-glucopyranoside C40H68O14 772.460906 NA MeJP NA NA +MJ093956 Antibiotic RF 2691B C41H64N4O10 772.462244 NA MeJP NA NA +PJ031821 LLLQMR C34H64N10O8S 772.463 NA PeJP NA NA +PJ031822 GKKERR C31H60N14O9 772.4668 NA PeJP NA NA +PJ031823 GTLLLKE C35H64N8O11 772.4695 NA PeJP NA NA +PJ031824 GVKKRW C36H60N12O7 772.4708 NA PeJP NA NA +PJ031825 VVLMRR C33H64N12O7S 772.4742 NA PeJP NA NA +PJ031826 GTKRRR C30H60N16O8 772.478 NA PeJP NA NA +PJ031827 GTTLLLR C34H64N10O10 772.4807 NA PeJP NA NA +PJ031828 KKRRW C35H60N14O6 772.4821 NA PeJP NA NA +PJ031829 TLLLKW C39H64N8O8 772.4847 NA PeJP NA NA +PJ031830 GPVLLKF C39H64N8O8 772.4848 NA PeJP NA NA +PJ031831 GVLLLKM C36H68N8O8S 772.4881 NA PeJP NA NA +MJ093957 19'-Hydroxyfucoxanthin; 19'-Hexanoyl C48H68O8 772.491419 NA MeJP NA NA +PJ031832 VDKKKR C33H64N12O9 772.492 NA PeJP NA NA +MJ093958 Nephilatoxin 7 C38H64N10O7 772.495944 NA MeJP NA NA +PJ031833 ALKKKW C38H64N10O7 772.496 NA PeJP NA NA +PJ031834 LLLKMR C35H68N10O7S 772.4993 NA PeJP NA NA +PJ031835 SVKKRR C32H64N14O8 772.5032 NA PeJP NA NA +PJ031836 SSLLLLK C36H68N8O10 772.5059 NA PeJP NA NA +PJ031837 LKKKKE C35H68N10O9 772.5171 NA PeJP NA NA +HMDB10578 PG(16:0/20:3(5Z,8Z,11Z)) C42H77O10P 772.525452 NA HMDB2010 NA NA +HMDB10579 PG(16:0/20:3(8Z,11Z,14Z)) C42H77O10P 772.525452 NA HMDB2010 NA NA +HMDB10606 PG(18:0/18:3(6Z,9Z,12Z)) C42H77O10P 772.525452 NA HMDB2010 NA NA +HMDB10607 PG(18:0/18:3(9Z,12Z,15Z)) C42H77O10P 772.525452 NA HMDB2010 NA NA +HMDB10620 PG(18:1(11Z)/18:2(9Z,12Z)) C42H77O10P 772.525452 NA HMDB2010 NA NA +HMDB10635 PG(18:1(9Z)/18:2(9Z,12Z)) C42H77O10P 772.525452 NA HMDB2010 NA NA +HMDB10648 PG(18:2(9Z,12Z)/18:1(11Z)) C42H77O10P 772.525452 NA HMDB2010 NA NA +HMDB10649 PG(18:2(9Z,12Z)/18:1(9Z)) C42H77O10P 772.525452 NA HMDB2010 NA NA +HMDB10662 PG(18:3(6Z,9Z,12Z)/18:0) C42H77O10P 772.525452 NA HMDB2010 NA NA +HMDB10677 PG(18:3(9Z,12Z,15Z)/18:0) C42H77O10P 772.525452 NA HMDB2010 NA NA +PJ031838 TLKKKR C34H68N12O8 772.5283 NA PeJP NA NA +EUR1101 SM(d18:1/22:0) [M-H-CH3]- C45H91N2O6P 772.645826 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1101 SM(d18:1/22:0) [M-H-CH3]- C45H91N2O6P 772.645826 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1101 SM(d18:1/22:0) [M-H-CH3]- C45H91N2O6P 772.645826 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1101 SM(d18:1/22:0) [M-H-CH3]- C45H91N2O6P 772.645826 masses lipides attendues Inhousejuil11 NA NA +MJ093959 Glycinoprenol 11 C55H96O 772.746117 NA MeJP NA NA +C13746 Reactive blue 2 C29H20ClN7O11S3 773.0071 NA KEGG NA NA +PJ031839 CCCCCCH C24H39N9O8S6 773.1246 NA PeJP NA NA +PJ031840 CCCCNND C24H39N9O12S4 773.1601 NA PeJP NA NA +PJ031841 SCCCDDE C25H39N7O15S3 773.1667 NA PeJP NA NA +PJ031842 PCCCCDM C26H43N7O10S5 773.1675 NA PeJP NA NA +MJ093960 Coenzyme F420 C29H36N5O18P 773.179295 NA MeJP NA NA +MetaCyc04123 reduced coenzyme γ-F420-2 [reduced factor F420;] C29H36N5O18P1 773.179296 NA metacyc NA NA +MetaCyc04124 factor γ-F420-2 [coenzyme γ-F420-2;coenzyme F420-2;] C29H36N5O18P1 773.179296 64885-97-8 metacyc NA NA +MetaCyc04125 factor F420-0 [coenzyme F420-0;] C29H36N5O18P1 773.179296 NA metacyc NA NA +C00876 Coenzyme F420 C29H36N5O18P 773.1793 NA KEGG NA NA +PJ031843 GCCDDMM C26H43N7O12S4 773.1853 NA PeJP NA NA +C16351 Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside) C36H37O19 773.1929 NA KEGG NA NA +C16372 Cyanidin 3-glucoside 5-caffeoylglucoside C36H37O19 773.1929 NA KEGG NA NA +FL7AACGL0050 Cyanidin 3-(6''-caffeylglucoside)-5-glucoside C36H37O19 773.1929 68341-44-6 knapsack NA NA +FL7AACGL0051 Gentiocyanin A;Cyanidin 3-glucoside-5-(6-caffeoylglucoside) C36H37O19 773.1929 170663-59-9 knapsack NA NA +FL7AACGL0058 Cyanidin 3-glucoside-3'-(6''-caffeylglucoside) C36H37O19 773.1929 150070-20-5 knapsack NA NA +FL7AACGL0104 Cyanidin 3-(2-glucosyl-6-caffeoylglucoside) C36H37O19 773.1929 215227-67-1 knapsack NA NA +FL7AAGGA0007 Delphinidn 3-galactoside-5-(6''-(E)-p-coumarylglucoside) C36H37O19 773.1929 151676-97-0 knapsack NA NA +FL7AAGGL0021 Awobanin;Delphinidin-3-(6-O-p-coumarylglucoside)-5-glucoside C36H37O19 773.1929 64615-55-0<BR>136031-06-6 knapsack NA NA +FL7AAGGL0069 Delphinidin 3-glucoside-5-(6-(E)-p-coumaroylglucoside) C36H37O19 773.1929 178737-74-1 knapsack NA NA +MetaCyc04126 shisonin [] C36H37O19 773.192904 NA metacyc NA NA +PJ031844 SCCCNNM C25H43N9O11S4 773.1965 NA PeJP NA NA +PJ031845 GCCDDDF C29H39N7O14S2 773.1997 NA PeJP NA NA +PJ031846 CCCEMW C30H43N7O9S4 773.2005 NA PeJP NA NA +PJ031847 SSCCDEM C26H43N7O14S3 773.203 NA PeJP NA NA +PJ031848 SPCCCMM C27H47N7O9S5 773.2039 NA PeJP NA NA +PJ031849 GCCCDHH C27H39N11O10S3 773.2044 NA PeJP NA NA +C08629 Cyanidin 3,5,3'-tri-O-glucoside C33H41O21 773.214 NA KEGG NA NA +FL7AACGL0003 Cyanidin 3,5,3'-triglucoside C33H41O21 773.21403 88110-66-1 knapsack NA NA +FL7AACGL0018 Cyanidin 3-sophoroside-5-glucoside C33H41O21 773.21403 47888-56-2<BR>16727-02-9 knapsack NA NA +FL7AAGGA0004 Delphinidin 3-robinobioside-5-glucoside C33H41O21 773.21403 107596-92-9 knapsack NA NA +FL7AAGGL0012 Delphinidin 3-rutinoside-5-glucoside C33H41O21 773.21403 29837-24-9 knapsack NA NA +FL7AAGGL0013 Bisdeacylplatyconin;Delphinidin 3-rutinoside-7-glucoside C33H41O21 773.21403 87256-70-0<BR>190317-75-0 knapsack NA NA +PJ031850 GSSSCCCQ C25H43N9O13S3 773.2143 NA PeJP NA NA +PJ031851 GSCDDDY C29H39N7O16S 773.2174 NA PeJP NA NA +PJ031852 GPCCCEY C30H43N7O11S3 773.2183 NA PeJP NA NA +PJ031853 GSCDMMM C27H47N7O11S4 773.2217 NA PeJP NA NA +MJ093961 Storniamide D; 3'''-Deoxy C42H35N3O12 773.222073 NA MeJP NA NA +MJ093962 Storniamide D; 3'-Deoxy C42H35N3O12 773.222073 NA MeJP NA NA +PJ031854 GCCCNQF C29H43N9O10S3 773.2295 NA PeJP NA NA +PJ031855 GGGGACCCF C29H43N9O10S3 773.2296 NA PeJP NA NA +PJ031856 SSSSSCCN C25H43N9O15S2 773.232 NA PeJP NA NA +PJ031857 SCCCCQK C26H47N9O10S4 773.2329 NA PeJP NA NA +PJ031858 PCCCYW C34H43N7O8S3 773.2336 NA PeJP NA NA +PJ031859 SSPCCDY C30H43N7O13S2 773.236 NA PeJP NA NA +PJ031860 CNDEMY C30H43N7O13S2 773.2361 NA PeJP NA NA +PJ031861 TCCMMW C31H47N7O8S4 773.2369 NA PeJP NA NA +PJ031862 SSSCEMM C27H47N7O13S3 773.2394 NA PeJP NA NA +PJ031863 GCNNDDH C27H39N11O14S 773.2399 NA PeJP NA NA +PJ031864 CQMMMM C28H51N7O8S5 773.2403 NA PeJP NA NA +PJ031865 GSCCMHH C28H43N11O9S3 773.2408 NA PeJP NA NA +PJ031866 GSDDDEH C28H39N9O17 773.2464 NA PeJP NA NA +PJ031867 CCDDRY C29H43N9O12S2 773.2473 NA PeJP NA NA +PJ031868 GSSSCCCK C26H47N9O12S3 773.2507 NA PeJP NA NA +PJ031869 GCDMYW C34H43N7O10S2 773.2513 NA PeJP NA NA +PJ031870 CCMMMR C27H51N9O7S5 773.2515 NA PeJP NA NA +PJ031871 GSSDDMY C30H43N7O15S 773.2538 NA PeJP NA NA +PJ031872 GPTCCMY C31H47N7O10S3 773.2547 NA PeJP NA NA +PJ031873 GTTCMMM C28H51N7O10S4 773.258 NA PeJP NA NA +PJ031874 GSSMMMM C28H51N7O10S4 773.2581 NA PeJP NA NA +PJ031875 SSTCCHH C28H43N11O11S2 773.2585 NA PeJP NA NA +PJ031876 SDDDHW C32H39N9O14 773.2617 NA PeJP NA NA +MJ093963 Pressinamide C33H43N9O9S2 773.262515 NA MeJP NA NA +PJ031877 PCCEHW C33H43N9O9S2 773.2626 NA PeJP NA NA +PJ031878 SSSCNNY C29H43N9O14S 773.265 NA PeJP NA NA +PJ031879 GGGGSSSCY C29H43N9O14S 773.2651 NA PeJP NA NA +PJ031880 CCDMFR C30H47N9O9S3 773.2659 NA PeJP NA NA +PJ031881 SSCEYW C34H43N7O12S 773.2691 NA PeJP NA NA +PJ031882 SCCCCKK C27H51N9O9S4 773.2693 NA PeJP NA NA +PJ031883 GCMMFW C35H47N7O7S3 773.2699 NA PeJP NA NA +PJ031884 SSSSDEY C30H43N7O17 773.2716 NA PeJP NA NA +PJ031885 SNEMMY C31H47N7O12S2 773.2724 NA PeJP NA NA +PJ031886 PPPCDDM C31H47N7O12S2 773.2725 NA PeJP NA NA +PJ031887 CYYYY C39H43N5O10S 773.2731 NA PeJP NA NA +PJ031888 CCQHHF C32H43N11O8S2 773.2738 NA PeJP NA NA +PJ031889 SSSTMMM C28H51N7O12S3 773.2758 NA PeJP NA NA +PJ031890 CDDEHR C28H43N11O13S 773.2763 NA PeJP NA NA +PJ031891 CKMMMM C29H55N7O7S5 773.2767 NA PeJP NA NA +PJ031892 GDEMHW C33H43N9O11S 773.2803 NA PeJP NA NA +PJ031893 GSSEEEH C29H43N9O16 773.2828 NA PeJP NA NA +PJ031894 SCDMRY C30H47N9O11S2 773.2837 NA PeJP NA NA +PJ031895 NDDHHH C30H39N13O12 773.2842 NA PeJP NA NA +PJ031896 GCDFFW C38H43N7O9S 773.2843 NA PeJP NA NA +PJ031897 GNEEYY C34H43N7O14 773.2868 NA PeJP NA NA +PJ031898 GSMMYW C35H47N7O9S2 773.2877 NA PeJP NA NA +PJ031899 GSSTEMY C31H47N7O14S 773.2902 NA PeJP NA NA +PJ031900 AQMMMY C32H51N7O9S3 773.2911 NA PeJP NA NA +PJ031901 SCNQHW C32H43N11O10S 773.2915 NA PeJP NA NA +PJ031902 GGGGTCHW C32H43N11O10S 773.2916 NA PeJP NA NA +PJ031903 SSSNNEH C28H43N11O15 773.294 NA PeJP NA NA +PJ031904 GGGGSSSEH C28H43N11O15 773.2941 NA PeJP NA NA +PJ031905 NNQMMH C29H47N11O10S2 773.2949 NA PeJP NA NA +PJ031906 DMHWW C37H43N9O8S 773.2956 NA PeJP NA NA +PJ031907 SNNNYY C33H43N9O13 773.298 NA PeJP NA NA +PJ031908 SSEEHW C33H43N9O13 773.2981 NA PeJP NA NA +PJ031909 PTCMHW C34H47N9O8S2 773.2989 NA PeJP NA NA +PJ031910 TQEEMH C30H47N9O13S 773.3014 NA PeJP NA NA +PJ031911 GGGGSPPDM C30H47N9O13S 773.3015 NA PeJP NA NA +PJ031912 NEYYW C38H43N7O11 773.3021 NA PeJP NA NA +PJ031913 ACMMRY C31H51N9O8S3 773.3023 NA PeJP NA NA +PJ031914 GSPCHHH C31H43N13O9S 773.3028 NA PeJP NA NA +PJ031915 GNNNNNQ C27H43N13O14 773.3053 NA PeJP NA NA +PJ031916 SSTMYW C35H47N7O11S 773.3054 NA PeJP NA NA +PJ031917 PPDEMW C35H47N7O11S 773.3055 NA PeJP NA NA +PJ031918 CNNMHR C28H47N13O9S2 773.3061 NA PeJP NA NA +PJ031919 GGCNMHR C28H47N13O9S2 773.3062 NA PeJP NA NA +PJ031920 SSSTTEY C31H47N7O16 773.3079 NA PeJP NA NA +PJ031921 AAPEEEE C31H47N7O16 773.308 NA PeJP NA NA +PJ031922 SDKMMY C32H51N7O11S2 773.3088 NA PeJP NA NA +PJ031923 GSSSNHW C32H43N11O12 773.3093 NA PeJP NA NA +PJ031924 CCKHHF C33H47N11O7S2 773.3102 NA PeJP NA NA +PJ031925 SDEMHR C29H47N11O12S 773.3127 NA PeJP NA NA +PJ031926 GPNDWW C37H43N9O10 773.3133 NA PeJP NA NA +PJ031927 PCMMHR C30H51N11O7S3 773.3135 NA PeJP NA NA +PJ031928 ATEMHW C34H47N9O10S 773.3167 NA PeJP NA NA +PJ031929 GYYWW C42H43N7O8 773.3173 NA PeJP NA NA +7452 coeliac toxic peptide ESQQSQQDEPQPF 773.31845 MH2+ Inhouse_peptide NA peptide +7453 coeliac toxic peptide FPQPEDQQSQQSE 773.31845 MH2+ Inhouse_peptide NA peptide +PJ031930 PDEEER C30H47N9O15 773.3192 NA PeJP NA NA +PJ031931 SSMMRY C31H51N9O10S2 773.3201 NA PeJP NA NA +PJ031932 SQEHHH C31H43N13O11 773.3205 NA PeJP NA NA +PJ031933 QMFYW C39H47N7O8S 773.3207 NA PeJP NA NA +PJ031934 PVDEEW C35H47N7O13 773.3232 NA PeJP NA NA +PJ031935 GSSCQHR C28H47N13O11S 773.3239 NA PeJP NA NA +PJ031936 AQMMFF C36H51N7O8S2 773.3241 NA PeJP NA NA +PJ031937 GNNHFW C36H43N11O9 773.3246 NA PeJP NA NA +3716 NA YPFGFSG 773.325 ACE inhibitor Inhouse_peptide NA peptide +MJ093964 Antibiotic YL 01641P-B2; 1-Deoxy, 4-Me ether, 9-Ac C39H51NO15 773.325869 NA MeJP NA NA +PJ031938 SSSSLMY C32H51N7O13S 773.3266 NA PeJP NA NA +PJ031939 AKMMMY C33H55N7O8S3 773.3274 NA PeJP NA NA +PJ031940 VCKMMY C33H55N7O8S3 773.3275 NA PeJP NA NA +PJ031941 SCNKHW C33H47N11O9S 773.3279 NA PeJP NA NA +PJ031942 GSPNDER C29H47N11O14 773.3304 NA PeJP NA NA +PJ031943 GGGGGGGVQE C29H47N11O14 773.3305 NA PeJP NA NA +PJ031944 AEMMHR C30H51N11O9S2 773.3313 NA PeJP NA NA +PJ031945 CFRYW C38H47N9O7S 773.3319 NA PeJP NA NA +PJ031946 GPMHFW C38H47N9O7S 773.332 NA PeJP NA NA +PJ031947 TTTEHW C34H47N9O12 773.3344 NA PeJP NA NA +PJ031948 GGGAPTEW C34H47N9O12 773.3345 NA PeJP NA NA +PJ031949 GLMMHW C35H51N9O7S2 773.3353 NA PeJP NA NA +PJ031950 GTHHHW C35H43N13O8 773.3358 NA PeJP NA NA +PJ031951 TKEEMH C31H51N9O12S 773.3378 NA PeJP NA NA +PJ031952 DKYYW C39H47N7O10 773.3385 NA PeJP NA NA +PJ031953 PKMMMH C32H55N9O7S3 773.3387 NA PeJP NA NA +PJ031954 VNMHHH C32H47N13O8S 773.3392 NA PeJP NA NA +PJ031955 SSSSNHR C28H47N13O13 773.3416 NA PeJP NA NA +PJ031956 GGSSSSHR C28H47N13O13 773.3417 NA PeJP NA NA +PJ031957 GLQMYY C36H51N7O10S 773.3418 NA PeJP NA NA +PJ031958 CCQKHR C29H51N13O8S2 773.3425 NA PeJP NA NA +PJ031959 STTTTTY C32H51N7O15 773.3443 NA PeJP NA NA +PJ031960 ASPLEEE C32H51N7O15 773.3444 NA PeJP NA NA +PJ031961 TTKMMY C33H55N7O10S2 773.3452 NA PeJP NA NA +PJ031962 SPNDRW C33H47N11O11 773.3457 NA PeJP NA NA +PJ031963 SSPPCQR C30H51N11O11S 773.349 NA PeJP NA NA +PJ031964 TTEMHR C30H51N11O11S 773.3491 NA PeJP NA NA +PJ031965 GPTQWW C38H47N9O9 773.3497 NA PeJP NA NA +PJ031966 GMHHHR C31H47N15O7S 773.3504 NA PeJP NA NA +PJ031967 STLMHW C35H51N9O9S 773.3531 NA PeJP NA NA +PJ031968 QFFFW C43H47N7O7 773.3537 NA PeJP NA NA +PJ031969 SSTTLEH C31H51N9O14 773.3556 NA PeJP NA NA +PJ031970 ASCLLMH C32H55N9O9S2 773.3564 NA PeJP NA NA +PJ031971 VKEMMH C32H55N9O9S2 773.3565 NA PeJP NA NA +PJ031972 GNNQRW C32H47N13O10 773.3569 NA PeJP NA NA +3565 NA SQPQAFP 773.357 ACE inhibitor Inhouse_peptide NA peptide +PJ031973 KMFYW C40H51N7O7S 773.3571 NA PeJP NA NA +PJ031974 PTLEEW C36H51N7O12 773.3596 NA PeJP NA NA +PJ031975 PCNERR C29H51N13O10S 773.3603 NA PeJP NA NA +PJ031976 PPLMMW C37H55N7O7S2 773.3605 NA PeJP NA NA +PJ031977 EHFRW C37H47N11O8 773.3609 NA PeJP NA NA +MJ093965 4-Methylaconitane-1,3,6,8,13,14,16,18-octol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-O-(3,4-dimethoxybenzoyl), 3,8,13-tri-Ac C40H55NO14 773.362255 NA MeJP NA NA +PJ031978 GPVLEEM C33H55N7O12S 773.363 NA PeJP NA NA +PJ031979 GPQMRW C34H51N11O8S 773.3643 NA PeJP NA NA +PJ031980 VHFWW C42H47N9O6 773.365 NA PeJP NA NA +PJ031981 VNQEER C30H51N11O13 773.3668 NA PeJP NA NA +PJ031982 SLMMHR C31H55N11O8S2 773.3677 NA PeJP NA NA +PJ031983 STHHHR C31H47N15O9 773.3681 NA PeJP NA NA +PJ031984 PNNHHR C31H47N15O9 773.3682 NA PeJP NA NA +PJ031985 SPQKEW C35H51N9O11 773.3708 NA PeJP NA NA +PJ031986 GGGGVLEW C35H51N9O11 773.3709 NA PeJP NA NA +PJ031987 PLEEMR C32H55N9O11S 773.3742 NA PeJP NA NA +PJ031988 PPVEFW C40H51N7O9 773.3749 NA PeJP NA NA +PJ031989 GPCRRW C33H51N13O7S 773.3756 NA PeJP NA NA +PJ031990 NNNKER C29H51N13O12 773.378 NA PeJP NA NA +PJ031991 GQEERR C29H51N13O12 773.3781 NA PeJP NA NA +PJ031992 PVLEMW C37H55N7O9S 773.3782 NA PeJP NA NA +PJ031993 CCKKHR C30H55N13O7S2 773.3789 NA PeJP NA NA +PJ031994 AALLEEE C33H55N7O14 773.3807 NA PeJP NA NA +PJ031995 SPPVLMM C34H59N7O9S2 773.3816 NA PeJP NA NA +PJ031996 GVQERW C34H51N11O10 773.3821 NA PeJP NA NA +MJ093966 Carboxymycobactins; Carboxymycobactin 3 C38H55N5O12 773.384722 NA MeJP NA NA +PJ031997 PNKEMR C31H55N11O10S 773.3854 NA PeJP NA NA +PJ031998 GGGSPLMR C31H55N11O10S 773.3855 NA PeJP NA NA +PJ031999 GPTKWW C39H51N9O8 773.3861 NA PeJP NA NA +PJ032000 GDDRRR C28H51N15O11 773.3893 NA PeJP NA NA +PJ032001 PVNKMW C36H55N9O8S 773.3895 NA PeJP NA NA +PJ032002 KFFFW C44H51N7O6 773.3901 NA PeJP NA NA +PJ032003 TTTTTLH C32H55N9O13 773.3919 NA PeJP NA NA +PJ032004 VLEEER C32H55N9O13 773.392 NA PeJP NA NA +PJ032005 APPCKKM C33H59N9O8S2 773.3928 NA PeJP NA NA +PJ032006 QERRW C33H51N13O9 773.3933 NA PeJP NA NA +PJ032007 VVLEEW C37H55N7O11 773.396 NA PeJP NA NA +PJ032008 SPQMRR C30H55N13O9S 773.3967 NA PeJP NA NA +PJ032009 VQRWW C38H51N11O7 773.3973 NA PeJP NA NA +PJ032010 APTLLEM C34H59N7O11S 773.3994 NA PeJP NA NA +19 Troponin C KMLGQTP 773.4 celiac toxic Inhouse_peptide NA peptide +PJ032011 GPKMRW C35H55N11O7S 773.4007 NA PeJP NA NA +PJ032012 VNKEER C31H55N11O12 773.4032 NA PeJP NA NA +PJ032013 CKKKMH C32H59N11O7S2 773.4041 NA PeJP NA NA +PJ032014 SPKKEW C36H55N9O10 773.4072 NA PeJP NA NA +PJ032015 SPCRRR C29H55N15O8S 773.4079 NA PeJP NA NA +PJ032016 ARRWW C37H51N13O6 773.4086 NA PeJP NA NA +PJ032017 AAPKKEM C33H59N9O10S 773.4106 NA PeJP NA NA +PJ032018 PPVLYW C41H55N7O8 773.4112 NA PeJP NA NA +PJ032019 GKEERR C30H55N13O11 773.4144 NA PeJP NA NA +PJ032020 GGGGDKKR C30H55N13O11 773.4145 NA PeJP NA NA +PJ032021 GPPLLMF C38H59N7O8S 773.4146 NA PeJP NA NA +PJ032022 GTLLLEE C34H59N7O13 773.4171 NA PeJP NA NA +PJ032023 GPLLLMM C35H63N7O8S2 773.418 NA PeJP NA NA +PJ032024 SPTKRW C35H55N11O9 773.4184 NA PeJP NA NA +PJ032025 GVKERW C35H55N11O9 773.4185 NA PeJP NA NA +MJ093967 Leucomycin V; 14-Hydroxy, O3-propanoyl C38H63NO15 773.41977 NA MeJP NA NA +3020 kinases inhibitor KKALRRQEAVDAY 773.42145 MH2+ Inhouse_peptide NA peptide +3026 kinases inhibitor KKAYRRQEAVDAL 773.42145 MH2+ Inhouse_peptide NA peptide +PJ032026 PDKKMR C32H59N11O9S 773.4218 NA PeJP NA NA +PJ032027 AALKWW C40H55N9O7 773.4225 NA PeJP NA NA +PJ032028 GTERRR C29H55N15O10 773.4257 NA PeJP NA NA +PJ032029 PCLKKW C37H59N9O7S 773.4259 NA PeJP NA NA +PJ032030 APTTKKE C33H59N9O12 773.4283 NA PeJP NA NA +PJ032031 LQKKEE C33H59N9O12 773.4284 NA PeJP NA NA +PJ032032 KERRW C34H55N13O8 773.4297 NA PeJP NA NA +PJ032033 TLLLEW C38H59N7O10 773.4324 NA PeJP NA NA +PJ032034 SPKMRR C31H59N13O8S 773.4331 NA PeJP NA NA +PJ032035 VKRWW C39H55N11O6 773.4337 NA PeJP NA NA +PJ032036 VVVVVEM C35H63N7O10S 773.4357 NA PeJP NA NA +PJ032037 GVLLLEM C35H63N7O10S 773.4358 NA PeJP NA NA +PJ032038 VDKKER C32H59N11O11 773.4396 NA PeJP NA NA +PJ032039 TRRRW C33H55N15O7 773.4409 NA PeJP NA NA +PJ032040 ALKKEW C37H59N9O9 773.4436 NA PeJP NA NA +PJ032041 GVMRRR C30H59N15O7S 773.4443 NA PeJP NA NA +PJ032042 LLLEMR C34H63N9O9S 773.447 NA PeJP NA NA +PJ032043 PVLLFW C42H59N7O7 773.4476 NA PeJP NA NA +PJ032044 SVKERR C31H59N13O10 773.4508 NA PeJP NA NA +PJ032045 VLLLMW C39H63N7O7S 773.451 NA PeJP NA NA +PJ032046 SSLLLLE C35H63N7O12 773.4535 NA PeJP NA NA +PJ032047 ATLKRW C36H59N11O8 773.4548 NA PeJP NA NA +PJ032048 GGAKKKW C36H59N11O8 773.4549 NA PeJP NA NA +PJ032049 MRRRR C29H59N17O6S 773.4555 NA PeJP NA NA +MJ093968 Tylosin B; 20-Alcohol C39H67NO14 773.456155 NA MeJP NA NA +PJ032050 VLQKMR C33H63N11O8S 773.4582 NA PeJP NA NA +PJ032051 SSLRRR C30H59N15O9 773.4621 NA PeJP NA NA +PJ032052 LKKKEE C34H63N9O11 773.4647 NA PeJP NA NA +MJ093969 ACE inhibitor peptide C 105 C34H63N9O11 773.464703 NA MeJP NA NA +PJ032053 APKFRR C35H59N13O7 773.4661 NA PeJP NA NA +PJ032054 GPVLLLY C39H63N7O9 773.4688 NA PeJP NA NA +PJ032055 ALKMRR C32H63N13O7S 773.4695 NA PeJP NA NA +PJ032056 ATLLLLM C36H67N7O9S 773.4721 NA PeJP NA NA +PJ032057 TLKKER C33H63N11O10 773.476 NA PeJP NA NA +PJ032058 SLLKKW C38H63N9O8 773.48 NA PeJP NA NA +PJ032059 AALLKKM C35H67N9O8S 773.4834 NA PeJP NA NA +PJ032060 TTLKRR C32H63N13O9 773.4872 NA PeJP NA NA +PJ032061 TTTLLLL C36H67N7O11 773.4899 NA PeJP NA NA +PJ032062 GKKKKW C37H63N11O7 773.4912 NA PeJP NA NA +MJ093970 Dolastatin 17 C41H67N5O9 773.493878 NA MeJP NA NA +PJ032063 VLKKMR C34H67N11O7S 773.4946 NA PeJP NA NA +HMDB08240 PC(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) C44H72NO8P 773.499573 NA HMDB2010 NA NA +PJ032064 ATTLLKK C35H67N9O10 773.5011 NA PeJP NA NA +PJ032065 AVVLLLF C40H67N7O8 773.5051 NA PeJP NA NA +PJ032066 GVLLLLF C40H67N7O8 773.5052 NA PeJP NA NA +PJ032067 DKKKKK C34H67N11O9 773.5124 NA PeJP NA NA +PJ032068 LLLLFR C39H67N9O7 773.5164 NA PeJP NA NA +PJ032069 SKKKKR C33H67N13O8 773.5236 NA PeJP NA NA +HMDB09710 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) C45H76NO7P 773.53595 NA HMDB2010 NA NA +HMDB09711 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(9Z)) C45H76NO7P 773.53595 NA HMDB2010 NA NA +HMDB11427 PE(P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C45H76NO7P 773.53595 NA HMDB2010 NA NA +HMDB11460 PE(P-18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C45H76NO7P 773.53595 NA HMDB2010 NA NA +MJ093971 1,2-Di-O-acylglycerols; Glycerol 1,2-di-(9Z,12Z,15Z-octadecatrienoate), 3-O-(6-Amino-6-deoxy-?-D-glucopyranoside) C45H75NO9 773.544183 NA MeJP NA NA +HMDB05331 GPEtn(18:0/20:1(11Z)) C43H84NO8P 773.59344 http://www.hmdb.ca/metabolites/HMDB05331 HMDB NA NA +HMDB05338 GPEtn(20:0/18:1(11Z)) C43H84NO8P 773.59344 http://www.hmdb.ca/metabolites/HMDB05338 HMDB NA NA +HMDB05339 GPEtn(20:0/18:1(9Z)) C43H84NO8P 773.59344 http://www.hmdb.ca/metabolites/HMDB05339 HMDB NA NA +HMDB05346 GPEtn(18:1(9Z)/20:0) C43H84NO8P 773.59344 http://www.hmdb.ca/metabolites/HMDB05346 HMDB NA NA +HMDB05331 GPEtn(18:0/20:1(11Z)) C43H84NO8P 773.59344 HMDB05331 PFEM_hmdb_metabocards_official NA NA +HMDB05338 GPEtn(20:0/18:1(11Z)) C43H84NO8P 773.59344 HMDB05338 PFEM_hmdb_metabocards_official NA NA +HMDB05339 GPEtn(20:0/18:1(9Z)) C43H84NO8P 773.59344 HMDB05339 PFEM_hmdb_metabocards_official NA NA +HMDB05346 GPEtn(18:1(9Z)/20:0) C43H84NO8P 773.59344 HMDB05346 PFEM_hmdb_metabocards_official NA NA +HMDB07945 PC(15:0/20:1(11Z)) C43H84NO8P 773.593445 NA HMDB2010 NA NA +HMDB08297 PC(20:1(11Z)/15:0) C43H84NO8P 773.593445 NA HMDB2010 NA NA +HMDB08849 PE(14:0/24:1(15Z)) C43H84NO8P 773.593445 NA HMDB2010 NA NA +HMDB08881 PE(14:1(9Z)/24:0) C43H84NO8P 773.593445 NA HMDB2010 NA NA +HMDB08941 PE(16:0/22:1(13Z)) C43H84NO8P 773.593445 NA HMDB2010 NA NA +HMDB08973 PE(16:1(9Z)/22:0) C43H84NO8P 773.593445 NA HMDB2010 NA NA +HMDB08999 PE(18:0/20:1(11Z)) C43H84NO8P 773.593445 NA HMDB2010 NA NA +HMDB09031 PE(18:1(11Z)/20:0) C43H84NO8P 773.593445 NA HMDB2010 NA NA +HMDB09064 PE(18:1(9Z)/20:0) C43H84NO8P 773.593445 NA HMDB2010 NA NA +HMDB09223 PE(20:0/18:1(11Z)) C43H84NO8P 773.593445 NA HMDB2010 NA NA +HMDB09224 PE(20:0/18:1(9Z)) C43H84NO8P 773.593445 NA HMDB2010 NA NA +HMDB09255 PE(20:1(11Z)/18:0) C43H84NO8P 773.593445 NA HMDB2010 NA NA +HMDB09485 PE(22:0/16:1(9Z)) C43H84NO8P 773.593445 NA HMDB2010 NA NA +HMDB09517 PE(22:1(13Z)/16:0) C43H84NO8P 773.593445 NA HMDB2010 NA NA +HMDB09713 PE(24:0/14:1(9Z)) C43H84NO8P 773.593445 NA HMDB2010 NA NA +HMDB09745 PE(24:1(15Z)/14:0) C43H84NO8P 773.593445 NA HMDB2010 NA NA +EUR961 PC 36:1 [M-H-CH3]- C44H86NO8P 773.593457 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR961 PC 36:1 [M-H-CH3]- C44H86NO8P 773.593457 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR961 PC 36:1 [M-H-CH3]- C44H86NO8P 773.593457 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR961 PC 36:1 [M-H-CH3]- C44H86NO8P 773.593457 masses lipides attendues Inhousejuil11 NA NA +MJ093972 Asteriacerebroside D C43H83NO10 773.601697 NA MeJP NA NA +MJ093973 Astrocerebrosides; Astrocerebroside A C43H83NO10 773.601697 NA MeJP NA NA +HMDB08061 PC(18:0/P-18:0) C44H88NO7P 773.629822 NA HMDB2010 NA NA +HMDB08291 PC(20:0/P-16:0) C44H88NO7P 773.629822 NA HMDB2010 NA NA +HMDB11215 PC(P-16:0/20:0) C44H88NO7P 773.629822 NA HMDB2010 NA NA +HMDB11241 PC(P-18:0/18:0) C44H88NO7P 773.629822 NA HMDB2010 NA NA +HMDB13414 PC(o-16:1(9Z)/20:0) C44H88NO7P 773.629822 NA HMDB2010 NA NA +HMDB13427 PC(o-18:1(9Z)/18:0) C44H88NO7P 773.629822 NA HMDB2010 NA NA +MJ093974 Ageliferin; 2,2'-Dibromo C22H22Br4N10O2 773.86607 NA MeJP NA NA +MJ093975 Sceptrin; 2,2'-Dibromo C22H22Br4N10O2 773.86607 NA MeJP NA NA +MJ093976 6,6'-Bieckol; 8,8'-Dihydroxy C36H22O20 774.070443 NA MeJP NA NA +PJ032070 CCCCNDD C24H38N8O13S4 774.1442 NA PeJP NA NA +PJ032071 GSPCCCCC C25H42N8O10S5 774.1628 NA PeJP NA NA +PJ032072 SCCCNDM C25H42N8O12S4 774.1805 NA PeJP NA NA +MJ093977 Azureomycin; Azureomycin A C30H36N3O21 774.18413 NA MeJP NA NA +PJ032073 GTCCCCW C29H42N8O9S4 774.1958 NA PeJP NA NA +PJ032074 GSSSCCCE C25H42N8O14S3 774.1983 NA PeJP NA NA +PJ032075 GCCCQMM C26H46N8O9S5 774.1992 NA PeJP NA NA +PJ032076 GCCCCMR C25H46N10O8S5 774.2104 NA PeJP NA NA +PJ032077 SSSCCCW C29H42N8O11S3 774.2135 NA PeJP NA NA +PJ032078 GGGCCCEF C29H42N8O11S3 774.2136 NA PeJP NA NA +FL63ACGS0012 Catechin 5-O-(2-feruloyl-6-p-coumaroyl-beta-D-glucopyranoside) C40H38O16 774.21598 103215-60-7 knapsack NA NA +MJ093978 3,3',4',5,7-Pentahydroxyflavan, 5-O-[4-Hydroxy-3-methoxycinnamoyl-(?2)-[4-hydroxycinnamoyl-(?6)]-?-D-glucopyranoside] C40H38O16 774.215985 NA MeJP NA NA +PJ032079 SSSSSCCD C25H42N8O16S2 774.216 NA PeJP NA NA +PJ032080 SSCCNMM C26H46N8O11S4 774.2169 NA PeJP NA NA +PJ032081 CDDEMY C30H42N6O14S2 774.2201 NA PeJP NA NA +PJ032082 GCNDDDH C27H38N10O15S 774.2239 NA PeJP NA NA +PJ032083 CEMMMM C28H50N6O9S5 774.2243 NA PeJP NA NA +PJ032084 STCCCCR C25H46N10O10S4 774.2281 NA PeJP NA NA +PJ032085 CCCNFW C33H42N8O8S3 774.2288 NA PeJP NA NA +PJ032086 GSCCNEY C29H42N8O13S2 774.2313 NA PeJP NA NA +PJ032087 GSSSTCCM C26H46N8O13S3 774.2347 NA PeJP NA NA +PJ032088 GCCCKMM C27H50N8O8S5 774.2356 NA PeJP NA NA +PJ032089 CDEMMF C31H46N6O11S3 774.2387 NA PeJP NA NA +PJ032090 SPCCNDH C28H42N10O12S2 774.2425 NA PeJP NA NA +PJ032091 GGSPCCDH C28H42N10O12S2 774.2426 NA PeJP NA NA +MJ093979 Neomycin B; N-Diphosphate C23H48N6O19P2 774.244946 NA MeJP NA NA +MJ093980 Neomycin C; N-Diphosphate C23H48N6O19P2 774.244946 NA MeJP NA NA +MJ093981 Pressinoic acid C33H42N8O10S2 774.24653 NA MeJP NA NA +PJ032092 SCCNYW C33H42N8O10S2 774.2466 NA PeJP NA NA +C05927 7,8-Dihydromethanopterin C30H43N6O16P 774.2473 NA KEGG NA NA +PJ032093 SSSCNDY C29H42N8O15S 774.2491 NA PeJP NA NA +PJ032094 CNNMMY C30H46N8O10S3 774.2499 NA PeJP NA NA +PJ032095 SSSSSSCM C26H46N8O15S2 774.2524 NA PeJP NA NA +PJ032096 PCDDYY C34H42N6O13S 774.2531 NA PeJP NA NA +PJ032097 STCCCKM C27H50N8O10S4 774.2533 NA PeJP NA NA +PJ032098 GCCNNQH C27H42N12O11S2 774.2538 NA PeJP NA NA +PJ032099 SDEMMY C31H46N6O13S2 774.2565 NA PeJP NA NA +PJ032100 PCMMMY C32H50N6O8S4 774.2573 NA PeJP NA NA +PJ032101 CCEHHF C32H42N10O9S2 774.2578 NA PeJP NA NA +PJ032102 GSNDDMH C28H42N10O14S 774.2603 NA PeJP NA NA +PJ032103 TMMMMM C29H54N6O8S5 774.2607 NA PeJP NA NA +PJ032104 CCCQRY C29H46N10O9S3 774.2612 NA PeJP NA NA +MJ093982 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 2,8-Bis(3-pyridinecarbonyl), 9-benzoyl, 1,6,14-tri-Ac C40H42N2O14 774.263604 NA MeJP NA NA +PJ032105 CNNDFY C33H42N8O12S 774.2643 NA PeJP NA NA +PJ032106 GPNDDEE C29H42N8O17 774.2668 NA PeJP NA NA +PJ032107 GSSCQMY C30H46N8O12S2 774.2677 NA PeJP NA NA +PJ032108 DDDHHH C30H38N12O13 774.2682 NA PeJP NA NA +PJ032109 GDEEYY C34H42N6O15 774.2708 NA PeJP NA NA +PJ032110 SSCNNNH C27H42N12O13S 774.2715 NA PeJP NA NA +PJ032111 GGGGGGSSCH C27H42N12O13S 774.2716 NA PeJP NA NA +PJ032112 PCDMFY C35H46N6O10S2 774.2717 NA PeJP NA NA +PJ032113 GPCCCHR C28H46N12O8S3 774.2724 NA PeJP NA NA +PJ032114 AEMMMY C32H50N6O10S3 774.2751 NA PeJP NA NA +PJ032115 SCNEHW C32H42N10O11S 774.2755 NA PeJP NA NA +PJ032116 GGSCEHW C32H42N10O11S 774.2756 NA PeJP NA NA +PJ032117 SSTNDDH C28H42N10O16 774.278 NA PeJP NA NA +PJ032118 SSSNDEH C28H42N10O16 774.2781 NA PeJP NA NA +PJ032119 GSSCCRY C29H46N10O11S2 774.2789 NA PeJP NA NA +PJ032120 GGGGGAPPCC C29H46N10O11S2 774.279 NA PeJP NA NA +PJ032121 PNDDEW C33H42N8O14 774.2821 NA PeJP NA NA +PJ032122 CNNMFF C34H46N8O9S2 774.2829 NA PeJP NA NA +PJ032123 GGCNMFF C34H46N8O9S2 774.283 NA PeJP NA NA +PJ032124 SSSSNMY C30H46N8O14S 774.2854 NA PeJP NA NA +PJ032125 TEEEMH C30H46N8O14S 774.2855 NA PeJP NA NA +PJ032126 DEYYW C38H42N6O12 774.2861 NA PeJP NA NA +PJ032127 CCQKMY C31H50N8O9S3 774.2863 NA PeJP NA NA +PJ032128 GNNNNNE C27H42N12O15 774.2893 NA PeJP NA NA +PJ032129 SPDMYY C35H46N6O12S 774.2895 NA PeJP NA NA +PJ032130 CNDMHR C28H46N12O10S2 774.2902 NA PeJP NA NA +PJ032131 PCMMFF C36H50N6O7S3 774.2903 NA PeJP NA NA +PJ032132 GSCHWW C36H42N10O8S 774.2908 NA PeJP NA NA +PJ032133 TTEMMY C32H50N6O12S2 774.2928 NA PeJP NA NA +PJ032134 GSSSDHW C32H42N10O13 774.2933 NA PeJP NA NA +PJ032135 CLMMMF C33H54N6O7S4 774.2937 NA PeJP NA NA +PJ032136 GNMMHW C33H46N10O8S2 774.2942 NA PeJP NA NA +PJ032137 GSSQEMH C29H46N10O13S 774.2967 NA PeJP NA NA +PJ032138 GPDDWW C37H42N8O11 774.2973 NA PeJP NA NA +PJ032139 CCCKRY C30H50N10O8S3 774.2976 NA PeJP NA NA +PJ032140 CNQHHH C30H42N14O9S 774.298 NA PeJP NA NA +PJ032141 GSPPCEW C34H46N8O11S 774.3007 NA PeJP NA NA +PJ032142 GSSSSSTY C30H46N8O16 774.3032 NA PeJP NA NA +PJ032143 GSSCKMY C31H50N8O11S2 774.3041 NA PeJP NA NA +PJ032144 NNNNNW C31H42N12O12 774.3045 NA PeJP NA NA +PJ032145 GGGGNNNW C31H42N12O12 774.3046 NA PeJP NA NA +PJ032146 EMFYW C39H46N6O9S 774.3047 NA PeJP NA NA +PJ032147 ACCHRW C32H46N12O7S2 774.3054 NA PeJP NA NA +PJ032148 ATEEYY C35H46N6O14 774.3072 NA PeJP NA NA +PJ032149 GSSCEHR C28H46N12O12S 774.3079 NA PeJP NA NA +PJ032150 APMMYY C36H50N6O9S2 774.3081 NA PeJP NA NA +PJ032151 GNDHFW C36H42N10O10 774.3086 NA PeJP NA NA +PJ032152 SLMMMY C33H54N6O9S3 774.3115 NA PeJP NA NA +PJ032153 SSQMHW C33H46N10O10S 774.3119 NA PeJP NA NA +PJ032154 GGGGPNMW C33H46N10O10S 774.312 NA PeJP NA NA +PJ032155 GSPDDER C29H46N10O15 774.3144 NA PeJP NA NA +PJ032156 GPTDDDR C29H46N10O15 774.3145 NA PeJP NA NA +PJ032157 GPPCDMR C30H50N10O10S2 774.3153 NA PeJP NA NA +PJ032158 GSSNHHH C30H42N14O11 774.3158 NA PeJP NA NA +PJ032159 SPPCWW C38H46N8O8S 774.316 NA PeJP NA NA +PJ032160 SSQQYY C34H46N8O13 774.3184 NA PeJP NA NA +PJ032161 SPQEEW C34H46N8O13 774.3185 NA PeJP NA NA +PJ032162 PPNMMW C35H50N8O8S2 774.3193 NA PeJP NA NA +PJ032163 SSSTCKY C31H50N8O13S 774.3218 NA PeJP NA NA +MJ093983 Cephabacin M; Cephabacin M1 C31H50N8O13S 774.321804 NA MeJP NA NA +PJ032164 GGGPVEEM C31H50N8O13S 774.3219 NA PeJP NA NA +PJ032165 GPEFYY C39H46N6O11 774.3225 NA PeJP NA NA +PJ032166 CCKKMY C32H54N8O8S3 774.3227 NA PeJP NA NA +PJ032167 SSCHRW C32H46N12O9S 774.3232 NA PeJP NA NA +PJ032168 SSSSDHR C28H46N12O14 774.3257 NA PeJP NA NA +PJ032169 AVEMYY C36H50N6O11S 774.3258 NA PeJP NA NA +PJ032170 GLEMYY C36H50N6O11S 774.3259 NA PeJP NA NA +PJ032171 SNMMHR C29H50N12O9S2 774.3265 NA PeJP NA NA +PJ032172 GGSMMHR C29H50N12O9S2 774.3266 NA PeJP NA NA +PJ032173 GMHHFF C37H46N10O7S 774.3272 NA PeJP NA NA +PJ032174 SPDDRW C33H46N10O12 774.3297 NA PeJP NA NA +PJ032175 ACKMHW C34H50N10O7S2 774.3306 NA PeJP NA NA +PJ032176 PNEEMR C30H50N10O12S 774.3331 NA PeJP NA NA +PJ032177 GPTEWW C38H46N8O10 774.3337 NA PeJP NA NA +PJ032178 CNKHHH C31H46N14O8S 774.3344 NA PeJP NA NA +MJ093984 Antibiotic DC 92B; 1'',2''-Didehydro C42H50N2O12 774.336375 NA MeJP NA NA +PJ032179 GSNNNNR C27H46N14O13 774.3369 NA PeJP NA NA +PJ032180 PVNEMW C35H50N8O10S 774.3371 NA PeJP NA NA +PJ032181 PFYYW C43H46N6O8 774.3377 NA PeJP NA NA +PJ032182 TCCHRR C28H50N14O8S2 774.3378 NA PeJP NA NA +PJ032183 GSPKEEE C31H50N8O15 774.3396 NA PeJP NA NA +MJ093985 4-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Benzyl glycoside, 3'-Ac, tetrabenzyl C47H50O10 774.340397 NA MeJP NA NA +PJ032184 GPPDKMM C32H54N8O10S2 774.3405 NA PeJP NA NA +PJ032185 GNNERW C32H46N12O11 774.3409 NA PeJP NA NA +PJ032186 GGGGGERW C32H46N12O11 774.341 NA PeJP NA NA +PJ032187 LMYYW C40H50N6O8S 774.3411 NA PeJP NA NA +PJ032188 AHHHHH C33H42N16O7 774.3423 NA PeJP NA NA +PJ032189 STLEYY C36H50N6O13 774.3436 NA PeJP NA NA +PJ032190 PCDERR C29H50N12O11S 774.3443 NA PeJP NA NA +PJ032191 ALMMFY C37H54N6O8S2 774.3445 NA PeJP NA NA +PJ032192 QQQWW C37H46N10O9 774.3449 NA PeJP NA NA +PJ032193 GAQQWW C37H46N10O9 774.345 NA PeJP NA NA +MJ093986 Bonaspectin D; 7''-Deoxy, 4''-O-?-D-glucopyranoside C40H54O15 774.346271 NA MeJP NA NA +PJ032194 GPEMRW C34H50N10O9S 774.3483 NA PeJP NA NA +PJ032195 PTWWW C42H46N8O7 774.349 NA PeJP NA NA +PJ032196 VNEEER C30H50N10O14 774.3508 NA PeJP NA NA +PJ032197 GGGGAAKEE C30H50N10O14 774.3509 NA PeJP NA NA +PJ032198 GSPPMMR C31H54N10O9S2 774.3517 NA PeJP NA NA +PJ032199 PNDHHR C31H46N14O10 774.3522 NA PeJP NA NA +PJ032200 APCLWW C39H50N8O7S 774.3523 NA PeJP NA NA +PJ032201 GPVMWW C39H50N8O7S 774.3524 NA PeJP NA NA +PJ032202 SPKEEW C35H50N8O12 774.3548 NA PeJP NA NA +PJ032203 GAALEEW C35H50N8O12 774.3549 NA PeJP NA NA +PJ032204 CCKKFF C36H54N8O7S2 774.3557 NA PeJP NA NA +PJ032205 NNRWW C36H46N12O8 774.3562 NA PeJP NA NA +PJ032206 AAPKEEM C32H54N8O12S 774.3582 NA PeJP NA NA +PJ032207 GPLYYY C40H50N6O10 774.3589 NA PeJP NA NA +PJ032208 LLMMMH C33H58N8O7S3 774.3591 NA PeJP NA NA +PJ032209 GQMHFR C33H50N12O8S 774.3596 NA PeJP NA NA +MJ093987 Kraussianin; 18-Benzoyloxy C44H54O12 774.361527 NA MeJP NA NA +PJ032210 ATNNNNK C29H50N12O13 774.362 NA PeJP NA NA +PJ032211 GEEERR C29H50N12O13 774.3621 NA PeJP NA NA +PJ032212 SVLMYY C37H54N6O10S 774.3622 NA PeJP NA NA +PJ032213 TCKMHR C30H54N12O8S2 774.3629 NA PeJP NA NA +PJ032214 PMRWW C38H50N10O6S 774.3636 NA PeJP NA NA +PJ032215 GVEERW C34H50N10O11 774.3661 NA PeJP NA NA +PJ032216 SSPPTMR C31H54N10O11S 774.3694 NA PeJP NA NA +PJ032217 PDKEMR C31H54N10O11S 774.3695 NA PeJP NA NA +PJ032218 AALEWW C39H50N8O9 774.3701 NA PeJP NA NA +PJ032219 GCHFRR C32H50N14O7S 774.3708 NA PeJP NA NA +MJ093988 Disorazole A1; 11,12-Epoxide(cis-) C43H54N2O11 774.37276 NA MeJP NA NA +MJ093989 Disorazole A1; 9',10'-Epoxide(cis-) C43H54N2O11 774.37276 NA MeJP NA NA +MJ093990 Nicaustrine C43H54N2O11 774.37276 NA MeJP NA NA +PJ032220 SNNERR C28H50N14O12 774.3733 NA PeJP NA NA +PJ032221 PVDKMW C36H54N8O9S 774.3735 NA PeJP NA NA +PJ032222 LFFYW C44H50N6O7 774.3741 NA PeJP NA NA +PJ032223 LQKEEE C32H54N8O14 774.376 NA PeJP NA NA +PJ032224 APPTKMM C33H58N8O9S2 774.3768 NA PeJP NA NA +PJ032225 GPVLQMM C33H58N8O9S2 774.3769 NA PeJP NA NA +PJ032226 EERRW C33H50N12O10 774.3773 NA PeJP NA NA +PJ032227 ALMFFF C41H54N6O7S 774.3775 NA PeJP NA NA +PJ032228 SPEMRR C30H54N12O10S 774.3807 NA PeJP NA NA +PJ032229 VERWW C38H50N10O8 774.3813 NA PeJP NA NA +MJ093991 Voacanga thouarsii Alkaloid C C42H54N4O10 774.383993 NA MeJP NA NA +PJ032230 SPVMRW C35H54N10O8S 774.3847 NA PeJP NA NA +PJ032231 VVWWW C43H50N8O6 774.3854 NA PeJP NA NA +PJ032232 VDKEER C31H54N10O13 774.3872 NA PeJP NA NA +PJ032233 PLQMMR C32H58N10O8S2 774.3881 NA PeJP NA NA +PJ032234 GSNRRW C32H50N14O9 774.3886 NA PeJP NA NA +PJ032235 ALKEEW C36H54N8O11 774.3912 NA PeJP NA NA +MJ093992 Cyclosquamosin F C36H54N8O11 774.391204 NA MeJP NA NA +PJ032236 AAAAPVEF C36H54N8O11 774.3913 NA PeJP NA NA +PJ032237 GQQMRR C29H54N14O9S 774.3919 NA PeJP NA NA +PJ032238 APKHHW C37H50N12O7 774.3926 NA PeJP NA NA +PJ032239 GPTLKEM C33H58N8O11S 774.3946 NA PeJP NA NA +PJ032240 GLLFYY C41H54N6O9 774.3953 NA PeJP NA NA +PJ032241 PPCFRR C34H54N12O7S 774.396 NA PeJP NA NA +PJ032242 SQQKER C30H54N12O12 774.3984 NA PeJP NA NA +PJ032243 SVEERR C30H54N12O12 774.3985 NA PeJP NA NA +PJ032244 PCLMRR C31H58N12O7S2 774.3993 NA PeJP NA NA +PJ032245 ATLERW C35H54N10O10 774.4025 NA PeJP NA NA +PJ032246 GCQRRR C28H54N16O8S 774.4032 NA PeJP NA NA +MJ093993 1,2,3,16-Tetrahydroxypregnan-20-one, 1-O-(?-L-Arabinopyranoside), 16-[5-(?-D-glucopyranosyloxy)-4R-methylpentanoyl] C38H62O16 774.403785 NA MeJP NA NA +PJ032247 VLQEMR C32H58N10O10S 774.4058 NA PeJP NA NA +PJ032248 GGLLEMR C32H58N10O10S 774.4059 NA PeJP NA NA +HMDB01038 Angiotensin IV C40H54N8O8 774.40643 http://www.hmdb.ca/metabolites/HMDB01038 HMDB NA NA +HMDB01038 Angiotensin IV C40H54N8O8 774.40643 HMDB01038 PFEM_hmdb_metabocards_official NA NA +HMDB01038 Angiotensin IV C40H54N8O8 774.406433 NA HMDB2010 NA NA +PJ032249 GTLLWW C40H54N8O8 774.4065 NA PeJP NA NA +MJ093994 Disorazole C1 C44H58N2O10 774.409146 NA MeJP NA NA +MJ093995 Disorazole C2 C44H58N2O10 774.409146 NA MeJP NA NA +PJ032250 SNDKRR C29H54N14O11 774.4097 NA PeJP NA NA +PJ032251 PTLKMW C37H58N8O8S 774.4099 NA PeJP NA NA +PJ032252 LKKEEE C33H58N8O13 774.4124 NA PeJP NA NA +PJ032253 GPVLKMM C34H62N8O8S2 774.4132 NA PeJP NA NA +PJ032254 GTQKRW C34H54N12O9 774.4137 NA PeJP NA NA +PJ032255 ALEMRR C31H58N12O9S 774.4171 NA PeJP NA NA +PJ032256 QKKWW C39H54N10O7 774.4177 NA PeJP NA NA +PJ032257 SSNRRR C28H54N16O10 774.4209 NA PeJP NA NA +PJ032258 GLLMRW C36H58N10O7S 774.4211 NA PeJP NA NA +PJ032259 TLKEER C32H58N10O12 774.4236 NA PeJP NA NA +PJ032260 PLKMMR C33H62N10O7S2 774.4245 NA PeJP NA NA +PJ032261 PTKHHR C33H54N14O8 774.4249 NA PeJP NA NA +PJ032262 GGVLHHR C33H54N14O8 774.425 NA PeJP NA NA +PJ032263 SLLKEW C37H58N8O10 774.4276 NA PeJP NA NA +PJ032264 GQKMRR C30H58N14O8S 774.4283 NA PeJP NA NA +PJ032265 AALLKEM C34H62N8O10S 774.431 NA PeJP NA NA +PJ032266 TTLERR C31H58N12O11 774.4348 NA PeJP NA NA +PJ032267 GGGGGSKKK C31H58N12O11 774.4349 NA PeJP NA NA +PJ032268 GLHHRR C32H54N16O7 774.4362 NA PeJP NA NA +PJ032269 SVQKKW C36H58N10O9 774.4388 NA PeJP NA NA +PJ032270 STLLRW C36H58N10O9 774.4389 NA PeJP NA NA +PJ032271 GCKRRR C29H58N16O7S 774.4396 NA PeJP NA NA +PJ032272 VLKEMR C33H62N10O9S 774.4422 NA PeJP NA NA +PJ032273 PVVKFW C41H58N8O7 774.4429 NA PeJP NA NA +PJ032274 STQKRR C30H58N14O10 774.4461 NA PeJP NA NA +PJ032275 VVLKMW C38H62N8O7S 774.4463 NA PeJP NA NA +PJ032276 ATTLLKE C34H62N8O12 774.4487 NA PeJP NA NA +PJ032277 SSLLLDK C34H62N8O12 774.4488 NA PeJP NA NA +PJ032278 GTKKRW C35H58N12O8 774.4501 NA PeJP NA NA +PJ032279 SLLMRR C32H62N12O8S 774.4535 NA PeJP NA NA +PJ032280 KKKWW C40H58N10O6 774.4541 NA PeJP NA NA +PJ032281 SSSLLLR C33H62N10O11 774.46 NA PeJP NA NA +PJ032282 PPLHRR C34H58N14O7 774.4613 NA PeJP NA NA +PJ032283 AAPLLKY C38H62N8O9 774.464 NA PeJP NA NA +PJ032284 GKKMRR C31H62N14O7S 774.4647 NA PeJP NA NA +PJ032285 GTLLLKM C35H66N8O9S 774.4674 NA PeJP NA NA +PJ032286 SKKKER C32H62N12O10 774.4712 NA PeJP NA NA +PJ032287 SVKKKW C37H62N10O8 774.4752 NA PeJP NA NA +PJ032288 GGLLLFR C37H62N10O8 774.4753 NA PeJP NA NA +MJ093996 Ergostane-3,4,6,8,15,28-hexol, 28-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] C40H70O14 774.476556 NA MeJP NA NA +MJ093997 Ergostane-3,6,8,15,16,28-hexol, 28-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] C40H70O14 774.476556 NA MeJP NA NA +MJ093998 Stigmastane-3,4,6,8,15,29-hexol, 29-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] C40H70O14 774.476556 NA MeJP NA NA +MJ093999 Stigmastane-3,6,8,15,16,29-hexol, 29-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] C40H70O14 774.476556 NA MeJP NA NA +PJ032289 LQKKKM C34H66N10O8S 774.4786 NA PeJP NA NA +PJ032290 STKKRR C31H62N14O9 774.4825 NA PeJP NA NA +PJ032291 STTLLLK C35H66N8O11 774.4851 NA PeJP NA NA +PJ032292 ALLFRR C36H62N12O7 774.4865 NA PeJP NA NA +PJ032293 CLKKKR C33H66N12O7S 774.4898 NA PeJP NA NA +PJ032294 GTTLKKK C34H66N10O10 774.4964 NA PeJP NA NA +PJ032295 AALLLKF C39H66N8O8 774.5004 NA PeJP NA NA +PJ032296 VLLKFR C38H66N10O7 774.5116 NA PeJP NA NA +PJ032297 LKKKKM C35H70N10O7S 774.515 NA PeJP NA NA +MJ094000 1,2-Di-O-acylglycerols; Glycerol 1,2-di-(9Z,12Z,15Z-octadecatrienoate), 3-O-?-D-Galactopyranoside (2S-) C45H74O10 774.528198 NA MeJP NA NA +MJ094001 Oligomycin A; 12-Deoxy C45H74O10 774.528198 NA MeJP NA NA +C11313 Oligomycin C C45H74O10 774.5282 NA KEGG NA NA +C13871 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn- C45H74O10 774.5282 NA KEGG NA NA +HMDB10605 PG(18:0/18:2(9Z,12Z)) C42H79O10P 774.541077 NA HMDB2010 NA NA +HMDB10618 PG(18:1(11Z)/18:1(11Z)) C42H79O10P 774.541077 NA HMDB2010 NA NA +HMDB10619 PG(18:1(11Z)/18:1(9Z)) C42H79O10P 774.541077 NA HMDB2010 NA NA +HMDB10633 PG(18:1(9Z)/18:1(11Z)) C42H79O10P 774.541077 NA HMDB2010 NA NA +HMDB10634 PG(18:1(9Z)/18:1(9Z)) C42H79O10P 774.541077 NA HMDB2010 NA NA +HMDB10647 PG(18:2(9Z,12Z)/18:0) C42H79O10P 774.541077 NA HMDB2010 NA NA +EUR1082 SM(d18:1/18:1) [M+FA-H]- C41H81N2O6P 774.588106 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1082 SM(d18:1/18:1) [M+FA-H]- C41H81N2O6P 774.588106 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1082 SM(d18:1/18:1) [M+FA-H]- C41H81N2O6P 774.588106 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1082 SM(d18:1/18:1) [M+FA-H]- C41H81N2O6P 774.588106 masses lipides attendues Inhousejuil11 NA NA +EUR1146 SM(d18:0/22:0) [M-H-CH3]- C45H93N2O6P 774.661476 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1146 SM(d18:0/22:0) [M-H-CH3]- C45H93N2O6P 774.661476 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1146 SM(d18:0/22:0) [M-H-CH3]- C45H93N2O6P 774.661476 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1146 SM(d18:0/22:0) [M-H-CH3]- C45H93N2O6P 774.661476 masses lipides attendues Inhousejuil11 NA NA +MJ094002 2-Decaprenylphenol C56H86O 774.667867 NA MeJP NA NA +HMDB10419 TG(16:1(9Z)/14:0/16:1(9Z))[iso3] C49H90O6 774.673767 NA HMDB2010 NA NA +MJ094003 Nonadecanoic acid; Tetratriacontanyl ester C53H106O2 774.819282 NA MeJP NA NA +MJ094004 Theoneberine C27H25Br4NO6 774.841538 NA MeJP NA NA +MJ094005 Cangrelor C17H25Cl2F3N5O12P3S2 774.948312 NA MeJP NA NA +PJ032298 CCCCDDD C24H37N7O14S4 775.1282 NA PeJP NA NA +PJ032299 CCCCCNQ C24H41N9O10S5 775.158 NA PeJP NA NA +PJ032300 SCCCDDM C25H41N7O13S4 775.1646 NA PeJP NA NA +PJ032301 GSSCCCCN C24H41N9O12S4 775.1758 NA PeJP NA NA +PJ032302 GCCCEMM C26H45N7O10S5 775.1832 NA PeJP NA NA +PJ032303 CCCCCNK C25H45N9O9S5 775.1944 NA PeJP NA NA +C01080 Reduced coenzyme F420 C29H38N5O18P 775.1949 NA KEGG NA NA +PJ032304 GCCCDEF C29H41N7O12S3 775.1976 NA PeJP NA NA +PJ032305 CCCMMW C30H45N7O7S5 775.1984 NA PeJP NA NA +PJ032306 SSCCDMM C26H45N7O12S4 775.2009 NA PeJP NA NA +PJ032307 ACCCCHH C27H41N11O8S4 775.2023 NA PeJP NA NA +PJ032308 GCDDDDH C27H37N9O16S 775.2079 NA PeJP NA NA +PJ032309 GCCCNNY C28H41N9O11S3 775.2088 NA PeJP NA NA +PJ032310 CCCDFW C33H41N7O9S3 775.2128 NA PeJP NA NA +PJ032311 GSCCDEY C29H41N7O14S2 775.2153 NA PeJP NA NA +PJ032312 GPCCCMY C30H45N7O9S4 775.2162 NA PeJP NA NA +PJ032313 GTCCMMM C27H49N7O9S5 775.2196 NA PeJP NA NA +PJ032314 SSCCCHH C27H41N11O10S3 775.22 NA PeJP NA NA +PJ032315 SPCCDDH C28H41N9O13S2 775.2266 NA PeJP NA NA +PJ032316 SCCDYW C33H41N7O11S2 775.2306 NA PeJP NA NA +PJ032317 SSSCDDY C29H41N7O16S 775.2331 NA PeJP NA NA +PJ032318 CNDMMY C30H45N7O11S3 775.2339 NA PeJP NA NA +PJ032319 SSSCMMM C27H49N7O11S4 775.2373 NA PeJP NA NA +PJ032320 GCCNNEH C27H41N11O12S2 775.2378 NA PeJP NA NA +PJ032321 GSDDDMH C28H41N9O15S 775.2443 NA PeJP NA NA +PJ032322 CCCERY C29H45N9O10S3 775.2452 NA PeJP NA NA +PJ032323 CNDDFY C33H41N7O13S 775.2483 NA PeJP NA NA +PJ032324 ACCMYW C34H45N7O8S3 775.2492 NA PeJP NA NA +PJ032325 GPDDDEE C29H41N7O18 775.2508 NA PeJP NA NA +PJ032326 GSSCEMY C30H45N7O13S2 775.2517 NA PeJP NA NA +PJ032327 CNMMMF C31H49N7O8S4 775.2526 NA PeJP NA NA +PJ032328 CCNNHW C31H41N11O9S2 775.253 NA PeJP NA NA +PJ032329 GGCCNHW C31H41N11O9S2 775.2531 NA PeJP NA NA +MetaCyc04127 tetrahydromethanopterin [THMPT;5,6,7,8-tetrahydromethanopterin;H4MPT;] C30H44N6O16P1 775.255141 NA metacyc NA NA +PJ032330 SSCNNDH C27H41N11O14S 775.2555 NA PeJP NA NA +PJ032331 GGSSCNDH C27H41N11O14S 775.2556 NA PeJP NA NA +PJ032332 SCDEHW C32H41N9O12S 775.2596 NA PeJP NA NA +PJ032333 PCCMHW C33H45N9O7S3 775.2604 NA PeJP NA NA +PJ032334 SSSDDEH C28H41N9O17 775.2621 NA PeJP NA NA +PJ032335 NDEMMH C29H45N9O12S2 775.2629 NA PeJP NA NA +PJ032336 GGPPCCNE C29H45N9O12S2 775.263 NA PeJP NA NA +PJ032337 PDDDEW C33H41N7O15 775.2661 NA PeJP NA NA +PJ032338 SSCMYW C34H45N7O10S2 775.2669 NA PeJP NA NA +PJ032339 TTCCYW C34H45N7O10S2 775.267 NA PeJP NA NA +MJ094006 Orthosphenine C37H45NO17 775.268749 NA MeJP NA NA +PJ032340 SSSSDMY C30H45N7O15S 775.2694 NA PeJP NA NA +PJ032341 SPPDDDM C30H45N7O15S 775.2695 NA PeJP NA NA +PJ032342 SNMMMY C31H49N7O10S3 775.2703 NA PeJP NA NA +PJ032343 GNNNNDE C27H41N11O16 775.2733 NA PeJP NA NA +PJ032344 CDDMHR C28H45N11O11S2 775.2742 NA PeJP NA NA +PJ032345 NDDEHF C32H41N9O14 775.2773 NA PeJP NA NA +PJ032346 GDMMHW C33H45N9O9S2 775.2782 NA PeJP NA NA +PJ032347 GSSEEMH C29H45N9O14S 775.2807 NA PeJP NA NA +PJ032348 TCCMRY C30H49N9O9S3 775.2816 NA PeJP NA NA +PJ032349 CNEHHH C30H41N13O10S 775.282 NA PeJP NA NA +PJ032350 GGCEHHH C30H41N13O10S 775.2821 NA PeJP NA NA +PJ032351 ACCFFW C38H45N7O7S2 775.2822 NA PeJP NA NA +PJ032352 GNEMYY C34H45N7O12S 775.2847 NA PeJP NA NA +PJ032353 GSCCNHR C27H45N13O10S2 775.2854 NA PeJP NA NA +PJ032354 GSPEEEE C30H45N7O17 775.2872 NA PeJP NA NA +PJ032355 GSSTMMY C31H49N7O12S2 775.2881 NA PeJP NA NA +PJ032356 NNNNDW C31H41N11O13 775.2886 NA PeJP NA NA +PJ032357 GPCNDDR C28H45N11O13S 775.2919 NA PeJP NA NA +PJ032358 GGGPCDDR C28H45N11O13S 775.292 NA PeJP NA NA +PJ032359 GDDHFW C36H41N9O11 775.2926 NA PeJP NA NA +PJ032360 SSEMHW C33H45N9O11S 775.2959 NA PeJP NA NA +PJ032361 TTCEHW C33H45N9O11S 775.296 NA PeJP NA NA +PJ032362 GCHHHW C34H41N13O7S 775.2973 NA PeJP NA NA +PJ032363 SSSTEEH C29H45N9O16 775.2984 NA PeJP NA NA +PJ032364 NQQEEE C29H45N9O16 775.2985 NA PeJP NA NA +PJ032365 TQEMMH C30H49N9O11S2 775.2993 NA PeJP NA NA +PJ032366 GSSDHHH C30H41N13O12 775.2998 NA PeJP NA NA +PJ032367 NMYYW C38H45N7O9S 775.3 NA PeJP NA NA +PJ032368 SPEEEW C34H45N7O14 775.3025 NA PeJP NA NA +PJ032369 PCCKYY C35H49N7O9S2 775.3033 NA PeJP NA NA +PJ032370 PPDMMW C35H49N7O9S2 775.3034 NA PeJP NA NA +MJ094007 Antibiotic YL 01641P-B2; 9-Ac C38H49NO16 775.305134 NA MeJP NA NA +PJ032371 SSSTTMY C31H49N7O14S 775.3058 NA PeJP NA NA +PJ032372 AAPEEEM C31H49N7O14S 775.3059 NA PeJP NA NA +PJ032373 TCKMMY C32H53N7O9S3 775.3067 NA PeJP NA NA +PJ032374 NNNMHF C32H45N11O10S 775.3072 NA PeJP NA NA +PJ032375 NNDEER C28H45N11O15 775.3097 NA PeJP NA NA +PJ032376 SDMMHR C29H49N11O10S2 775.3106 NA PeJP NA NA +PJ032377 GPCQWW C37H45N9O8S 775.3112 NA PeJP NA NA +PJ032378 GQQEEW C33H45N9O13 775.3137 NA PeJP NA NA +PJ032379 ATMMHW C34H49N9O8S2 775.3146 NA PeJP NA NA +PJ032380 PDEEMR C30H49N9O13S 775.3171 NA PeJP NA NA +PJ032381 GSTYYW C38H45N7O11 775.3177 NA PeJP NA NA +PJ032382 VQMMMH C31H53N9O8S3 775.3179 NA PeJP NA NA +PJ032383 LNMMMH C31H53N9O8S3 775.318 NA PeJP NA NA +PJ032384 SQMHHH C31H45N13O9S 775.3184 NA PeJP NA NA +PJ032385 GSNNNDR C27H45N13O14 775.3209 NA PeJP NA NA +PJ032386 GGGGGGGSDR C27H45N13O14 775.321 NA PeJP NA NA +PJ032387 PVDEMW C35H49N7O11S 775.3211 NA PeJP NA NA +PJ032388 PPCHHW C36H45N11O7S 775.3225 NA PeJP NA NA +PJ032389 LQEEEE C31H49N7O16 775.3236 NA PeJP NA NA +PJ032390 APPTEMM C32H53N7O11S2 775.3245 NA PeJP NA NA +PJ032391 ANDDRW C32H45N11O12 775.3249 NA PeJP NA NA +PJ032392 GNDERW C32H45N11O12 775.325 NA PeJP NA NA +PJ032393 GSPNDMR C29H49N11O12S 775.3283 NA PeJP NA NA +PJ032394 GGGGGGGGGLM C29H49N11O12S 775.3284 NA PeJP NA NA +PJ032395 QQEWW C37H45N9O10 775.329 NA PeJP NA NA +PJ032396 AMMMHR C30H53N11O7S3 775.3292 NA PeJP NA NA +PJ032397 SCHHHR C30H45N15O8S 775.3297 NA PeJP NA NA +PJ032398 TTTMHW C34H49N9O10S 775.3323 NA PeJP NA NA +PJ032399 GGGAPTMW C34H49N9O10S 775.3324 NA PeJP NA NA +PJ032400 NFFYW C42H45N7O8 775.333 NA PeJP NA NA +PJ032401 STTTTEH C30H49N9O15 775.3348 NA PeJP NA NA +PJ032402 VDEEER C30H49N9O15 775.3349 NA PeJP NA NA +MJ094008 Sperm activating peptide; Sperm activating peptide F C31H53N9O10S2 775.33568 NA MeJP NA NA +PJ032403 TKEMMH C31H53N9O10S2 775.3357 NA PeJP NA NA +PJ032404 PDDHHR C31H45N13O11 775.3362 NA PeJP NA NA +PJ032405 GQMFFF C39H49N7O8S 775.3364 NA PeJP NA NA +PJ032406 TTTQYY C35H49N7O13 775.3388 NA PeJP NA NA +PJ032407 ALEEEW C35H49N7O13 775.3389 NA PeJP NA NA +PJ032408 NNNQMR C28H49N13O11S 775.3395 NA PeJP NA NA +PJ032409 GGNNQMR C28H49N13O11S 775.3396 NA PeJP NA NA +PJ032410 GKMMFY C36H53N7O8S2 775.3397 NA PeJP NA NA +PJ032411 NDRWW C36H45N11O9 775.3402 NA PeJP NA NA +PJ032412 GPTLEEM C32H53N7O13S 775.3422 NA PeJP NA NA +PJ032413 GPPLMMM C33H57N7O8S3 775.3431 NA PeJP NA NA +PJ032414 SPCQRW C33H49N11O9S 775.3436 NA PeJP NA NA +PJ032415 AQWWW C41H45N9O7 775.3442 NA PeJP NA NA +PJ032416 SQQEER C29H49N11O14 775.3461 NA PeJP NA NA +PJ032417 TTMMHR C30H53N11O9S2 775.3469 NA PeJP NA NA +PJ032418 GGGAPMMR C30H53N11O9S2 775.347 NA PeJP NA NA +PJ032419 GPCKWW C38H49N9O7S 775.3476 NA PeJP NA NA +PJ032420 GQKEEW C34H49N9O12 775.3501 NA PeJP NA NA +PJ032421 CNNNRR C27H49N15O10S 775.3508 NA PeJP NA NA +PJ032422 AQHHHF C35H45N13O8 775.3514 NA PeJP NA NA +PJ032423 GAAHHHF C35H45N13O8 775.3515 NA PeJP NA NA +PJ032424 SSTTLMH C31H53N9O12S 775.3535 NA PeJP NA NA +PJ032425 PPVDYW C39H49N7O10 775.3541 NA PeJP NA NA +PJ032426 VKMMMH C32H57N9O7S3 775.3543 NA PeJP NA NA +PJ032427 SKMHHH C32H49N13O8S 775.3548 NA PeJP NA NA +3574 NA YPFGFF~ 775.356 ACE inhibitor Inhouse_peptide NA peptide +PJ032428 SNDERR C28H49N13O13 775.3573 NA PeJP NA NA +PJ032429 PTLEMW C36H53N7O10S 775.3575 NA PeJP NA NA +PJ032430 PCNMRR C29H53N13O8S2 775.3582 NA PeJP NA NA +PJ032431 MHFRW C37H49N11O6S 775.3588 NA PeJP NA NA +PJ032432 LKEEEE C32H53N7O15 775.36 NA PeJP NA NA +PJ032433 GPVLEMM C33H57N7O10S2 775.3609 NA PeJP NA NA +PJ032434 GTQERW C33H49N11O11 775.3613 NA PeJP NA NA +PJ032435 GGGGGGTKW C33H49N11O11 775.3614 NA PeJP NA NA +PJ032436 VNQEMR C30H53N11O11S 775.3647 NA PeJP NA NA +PJ032437 QKEWW C38H49N9O9 775.3653 NA PeJP NA NA +PJ032438 GAKEWW C38H49N9O9 775.3654 NA PeJP NA NA +PJ032439 SPQKMW C35H53N9O9S 775.3687 NA PeJP NA NA +PJ032440 TLEEER C31H53N9O14 775.3712 NA PeJP NA NA +PJ032441 PLEMMR C32H57N9O9S2 775.3721 NA PeJP NA NA +PJ032442 GSDRRW C32H49N13O10 775.3726 NA PeJP NA NA +PJ032443 PPVMFW C40H53N7O7S 775.3728 NA PeJP NA NA +PJ032444 SLLEEW C36H53N7O12 775.3752 NA PeJP NA NA +PJ032445 VTLEEW C36H53N7O12 775.3753 NA PeJP NA NA +PJ032446 GQEMRR C29H53N13O10S 775.3759 NA PeJP NA NA +PJ032447 GGAEMRR C29H53N13O10S 775.376 NA PeJP NA NA +PJ032448 PVLMMW C37H57N7O7S2 775.3761 NA PeJP NA NA +PJ032449 TQRWW C37H49N11O8 775.3766 NA PeJP NA NA +PJ032450 AALLEEM C33H57N7O12S 775.3786 NA PeJP NA NA +PJ032451 GVQMRW C34H53N11O8S 775.38 NA PeJP NA NA +PJ032452 AKWWW C42H49N9O6 775.3806 NA PeJP NA NA +PJ032453 SSPTTQR C30H53N11O13 775.3824 NA PeJP NA NA +PJ032454 SQKEER C30H53N11O13 775.3825 NA PeJP NA NA +PJ032455 PNKMMR C31H57N11O8S2 775.3833 NA PeJP NA NA +PJ032456 AQQHHR C31H49N15O9 775.3838 NA PeJP NA NA +PJ032457 GKKEEW C35H53N9O11 775.3865 NA PeJP NA NA +PJ032458 GCERRR C28H53N15O9S 775.3872 NA PeJP NA NA +PJ032459 AKHHHF C36H49N13O7 775.3878 NA PeJP NA NA +PJ032460 APTTQKM C32H57N9O11S 775.3898 NA PeJP NA NA +PJ032461 VLEEMR C32H57N9O11S 775.3899 NA PeJP NA NA +MJ094009 Arenarin A C40H53N7O9 775.390476 NA MeJP NA NA +PJ032462 PPTLYW C40H53N7O9 775.3905 NA PeJP NA NA +PJ032463 QMRRW C33H53N13O7S 775.3912 NA PeJP NA NA +3816 ileum contracting peptide MYPLPR 775.3924 ACE inhibitor Inhouse_peptide NA peptide +PJ032464 STQERR C29H53N13O12 775.3937 NA PeJP NA NA +PJ032465 VVLEMW C37H57N7O9S 775.3939 NA PeJP NA NA +PJ032466 GNHHRR C30H49N17O8 775.395 NA PeJP NA NA +PJ032467 GGGHHRR C30H49N17O8 775.3951 NA PeJP NA NA +PJ032468 ATTLLEE C33H57N7O14 775.3964 NA PeJP NA NA +PJ032469 APTLLMM C34H61N7O9S2 775.3972 NA PeJP NA NA +PJ032470 SPVVLMM C34H61N7O9S2 775.3973 NA PeJP NA NA +PJ032471 GTKERW C34H53N11O10 775.3977 NA PeJP NA NA +PJ032472 VNKEMR C31H57N11O10S 775.4011 NA PeJP NA NA +PJ032473 KKEWW C39H53N9O8 775.4017 NA PeJP NA NA +PJ032474 GAAPKFW C39H53N9O8 775.4018 NA PeJP NA NA +PJ032475 CRRRW C32H53N15O6S 775.4024 NA PeJP NA NA +MJ094010 Technetium sestamibi C36H66N6O6Tc(+) 775.403774 NA MeJP NA NA +PJ032476 SSDRRR C28H53N15O11 775.4049 NA PeJP NA NA +PJ032477 SPKKMW C36H57N9O8S 775.4051 NA PeJP NA NA +PJ032478 DKKKEE C32H57N9O13 775.4076 NA PeJP NA NA +PJ032479 AAPKKMM C33H61N9O8S2 775.4085 NA PeJP NA NA +PJ032480 GTTRRW C33H53N13O9 775.409 NA PeJP NA NA +PJ032481 AAPLLEY C37H57N7O11 775.4116 NA PeJP NA NA +PJ032482 GKEMRR C30H57N13O9S 775.4123 NA PeJP NA NA +PJ032483 TKRWW C38H53N11O7 775.413 NA PeJP NA NA +2935 myelopeptide LVVYPW 775.414 celiac toxic Inhouse_peptide NA peptide +PJ032484 GTLLLEM C34H61N7O11S 775.415 NA PeJP NA NA +PJ032485 GVKMRW C35H57N11O7S 775.4164 NA PeJP NA NA +PJ032486 SKKEER C31H57N11O12 775.4188 NA PeJP NA NA +PJ032487 GSVTKER C31H57N11O12 775.4189 NA PeJP NA NA +PJ032488 PPNHRR C32H53N15O8 775.4202 NA PeJP NA NA +PJ032489 SVKKEW C36H57N9O10 775.4229 NA PeJP NA NA +PJ032490 GTMRRR C29H57N15O8S 775.4236 NA PeJP NA NA +PJ032491 LQKKEM C33H61N9O10S 775.4262 NA PeJP NA NA +PJ032492 GALKKEM C33H61N9O10S 775.4263 NA PeJP NA NA +PJ032493 PVVLYW C41H57N7O8 775.4269 NA PeJP NA NA +PJ032494 KMRRW C34H57N13O6S 775.4276 NA PeJP NA NA +PJ032495 STKERR C30H57N13O11 775.4301 NA PeJP NA NA +PJ032496 TLLLMW C38H61N7O8S 775.4303 NA PeJP NA NA +PJ032497 STTLLLE C34H61N7O13 775.4328 NA PeJP NA NA +PJ032498 GVLLLMM C35H65N7O8S2 775.4336 NA PeJP NA NA +PJ032499 SSLKRW C35H57N11O9 775.4341 NA PeJP NA NA +PJ032500 VDKKMR C32H61N11O9S 775.4375 NA PeJP NA NA +PJ032501 APKKFW C40H57N9O7 775.4381 NA PeJP NA NA +PJ032502 STTRRR C29H57N15O10 775.4413 NA PeJP NA NA +PJ032503 ALKKMW C37H61N9O7S 775.4415 NA PeJP NA NA +PJ032504 GTTLKKE C33H61N9O12 775.444 NA PeJP NA NA +PJ032505 LLLMMR C34H65N9O7S2 775.4449 NA PeJP NA NA +PJ032506 GPKRRY C34H57N13O8 775.4453 NA PeJP NA NA +PJ032507 GGALFRR C34H57N13O8 775.4454 NA PeJP NA NA +PJ032508 GPTLLLY C38H61N7O10 775.448 NA PeJP NA NA +PJ032509 SVKMRR C31H61N13O8S 775.4487 NA PeJP NA NA +PJ032510 SSLLLLM C35H65N7O10S 775.4514 NA PeJP NA NA +PJ032511 GTTTLKR C32H61N11O11 775.4552 NA PeJP NA NA +PJ032512 AAFRRR C33H57N15O7 775.4566 NA PeJP NA NA +PJ032513 TTLKKW C37H61N9O9 775.4593 NA PeJP NA NA +PJ032514 LKKKEM C34H65N9O9S 775.4626 NA PeJP NA NA +PJ032515 VVLLFW C42H61N7O7 775.4633 NA PeJP NA NA +PJ032516 PTKKFR C36H61N11O8 775.4705 NA PeJP NA NA +MJ094011 Erythromycin; 2'-Ac C39H69NO14 775.471805 NA MeJP NA NA +PJ032517 TLKKMR C33H65N11O8S 775.4739 NA PeJP NA NA +PJ032518 SSTLLKK C34H65N9O11 775.4804 NA PeJP NA NA +PJ032519 GLKFRR C35H61N13O7 775.4817 NA PeJP NA NA +PJ032520 AALLLLY C39H65N7O9 775.4844 NA PeJP NA NA +MJ094012 Fujimycin; 9-Deoxo, 31-O-de-Me C43H69NO11 775.487062 NA MeJP NA NA +PJ032521 GSTKKKK C33H65N11O10 775.4916 NA PeJP NA NA +PJ032522 VLLLRY C38H65N9O8 775.4956 NA PeJP NA NA +PJ032523 GALLKKF C38H65N9O8 775.4957 NA PeJP NA NA +PJ032524 VVKKFR C37H65N11O7 775.5069 NA PeJP NA NA +MJ094013 Erythromycin; 14-Propyl C40H73NO13 775.508191 NA MeJP NA NA +EUR955 PC 34:4 [M+Na]+ C42H76NO8P 775.512803 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR955 PC 34:4 [M+Na]+ C42H76NO8P 775.512803 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR955 PC 34:4 [M+Na]+ C42H76NO8P 775.512803 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR955 PC 34:4 [M+Na]+ C42H76NO8P 775.512803 masses lipides attendues Inhousejuil11 NA NA +HMDB07925 PC(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C44H74NO8P 775.515198 NA HMDB2010 NA NA +HMDB08174 PC(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) C44H74NO8P 775.515198 NA HMDB2010 NA NA +HMDB08207 PC(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) C44H74NO8P 775.515198 NA HMDB2010 NA NA +HMDB08238 PC(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) C44H74NO8P 775.515198 NA HMDB2010 NA NA +HMDB08239 PC(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) C44H74NO8P 775.515198 NA HMDB2010 NA NA +HMDB08723 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) C44H74NO8P 775.515198 NA HMDB2010 NA NA +PJ032525 LLKKKF C39H69N9O7 775.532 NA PeJP NA NA +EUR937 PC 32:2 [M+FA-H]- C40H76NO8P 775.535737 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR937 PC 32:2 [M+FA-H]- C40H76NO8P 775.535737 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR937 PC 32:2 [M+FA-H]- C40H76NO8P 775.535737 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR937 PC 32:2 [M+FA-H]- C40H76NO8P 775.535737 masses lipides attendues Inhousejuil11 NA NA +HMDB09644 PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z)) C45H78NO7P 775.551575 NA HMDB2010 NA NA +HMDB09645 PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z)) C45H78NO7P 775.551575 NA HMDB2010 NA NA +HMDB09677 PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) C45H78NO7P 775.551575 NA HMDB2010 NA NA +HMDB09678 PE(22:5(7Z,10Z,13Z,16Z,19Z)/dm18:1(9Z)) C45H78NO7P 775.551575 NA HMDB2010 NA NA +HMDB09709 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0) C45H78NO7P 775.551575 NA HMDB2010 NA NA +HMDB11394 PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C45H78NO7P 775.551575 NA HMDB2010 NA NA +HMDB11425 PE(P-18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C45H78NO7P 775.551575 NA HMDB2010 NA NA +HMDB11426 PE(P-18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C45H78NO7P 775.551575 NA HMDB2010 NA NA +HMDB11458 PE(P-18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C45H78NO7P 775.551575 NA HMDB2010 NA NA +HMDB11459 PE(P-18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C45H78NO7P 775.551575 NA HMDB2010 NA NA +HMDB05328 GPEtn(18:0/20:0) C43H86NO8P 775.60913 http://www.hmdb.ca/metabolites/HMDB05328 HMDB NA NA +HMDB05336 GPEtn(20:0/18:0) C43H86NO8P 775.60913 http://www.hmdb.ca/metabolites/HMDB05336 HMDB NA NA +HMDB05328 GPEtn(18:0/20:0) C43H86NO8P 775.60913 HMDB05328 PFEM_hmdb_metabocards_official NA NA +HMDB05336 GPEtn(20:0/18:0) C43H86NO8P 775.60913 HMDB05336 PFEM_hmdb_metabocards_official NA NA +HMDB07944 PC(15:0/20:0) C43H86NO8P 775.609131 NA HMDB2010 NA NA +HMDB08264 PC(20:0/15:0) C43H86NO8P 775.609131 NA HMDB2010 NA NA +HMDB08848 PE(14:0/24:0) C43H86NO8P 775.609131 NA HMDB2010 NA NA +HMDB08940 PE(16:0/22:0) C43H86NO8P 775.609131 NA HMDB2010 NA NA +HMDB08998 PE(18:0/20:0) C43H86NO8P 775.609131 NA HMDB2010 NA NA +HMDB09222 PE(20:0/18:0) C43H86NO8P 775.609131 NA HMDB2010 NA NA +HMDB09484 PE(22:0/16:0) C43H86NO8P 775.609131 NA HMDB2010 NA NA +HMDB09712 PE(24:0/14:0) C43H86NO8P 775.609131 NA HMDB2010 NA NA +HMDB13406 PC(o-16:0/20:0) C44H90NO7P 775.645508 NA HMDB2010 NA NA +HMDB13417 PC(o-18:0/18:0) C44H90NO7P 775.645508 NA HMDB2010 NA NA +4004 NA RPKPQQFFFGLMG 775.8927 MH2+ Inhouse_peptide NA peptide +PJ032526 CCCCCNE C24H40N8O11S5 776.142 NA PeJP NA NA +PJ032527 GACCCCCD C24H40N8O11S5 776.1421 NA PeJP NA NA +PJ032528 GCCCCCW C28H40N8O8S5 776.1573 NA PeJP NA NA +PJ032529 GSSCCCCD C24H40N8O13S4 776.1598 NA PeJP NA NA +PJ032530 SCCCCQM C25H44N8O10S5 776.1784 NA PeJP NA NA +PJ032531 SCCCCCR C24H44N10O9S5 776.1897 NA PeJP NA NA +PJ032532 GCCCNDY C28H40N8O12S3 776.1928 NA PeJP NA NA +PJ032533 GSSSCCCM C25H44N8O12S4 776.1962 NA PeJP NA NA +PJ032534 GCCCNMF C29H44N8O9S4 776.2114 NA PeJP NA NA +PJ032535 GGGCCCMF C29H44N8O9S4 776.2115 NA PeJP NA NA +PJ032536 SSSSTCCC C25H44N8O14S3 776.2139 NA PeJP NA NA +PJ032537 SCCCCKM C26H48N8O9S5 776.2148 NA PeJP NA NA +MJ094014 3,3',4',5,7-Pentahydroxy-8-(3,4,5-trihydroxybenzyl)flavone; 3'',5''-Di-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C36H40O19 776.216379 NA MeJP NA NA +MJ094015 Diphyllin; O-[?-L-Arabinopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?5)]-?-D-apiofuranoside] C36H40O19 776.216379 NA MeJP NA NA +MJ094016 Diphyllin; O-[?-L-Xylopyranosyl-(1?2)-[?-L-xylopyranosyl-(1?5)]-?-D-apiofuranoside] C36H40O19 776.216379 NA MeJP NA NA +PJ032538 CDDMMY C30H44N6O12S3 776.218 NA PeJP NA NA +PJ032539 GCCNDEH C27H40N10O13S2 776.2218 NA PeJP NA NA +PJ032540 CMMMMM C28H52N6O7S6 776.2222 NA PeJP NA NA +PJ032541 GSCCNMY C29H44N8O11S3 776.2292 NA PeJP NA NA +PJ032542 CDDDFY C33H40N6O14S 776.2324 NA PeJP NA NA +HMDB10366 Hyaluronan C28H44N2O23 776.233459 NA HMDB2010 NA NA +PJ032543 CDMMMF C31H48N6O9S4 776.2366 NA PeJP NA NA +PJ032544 CCNDHW C31H40N10O10S2 776.2371 NA PeJP NA NA +PJ032545 SSCNDDH C27H40N10O15S 776.2396 NA PeJP NA NA +PJ032546 SPCCCQH C28H44N10O10S3 776.2404 NA PeJP NA NA +PJ032547 SPNDDDD C28H40N8O18 776.2461 NA PeJP NA NA +PJ032548 SSSCCQY C29H44N8O13S2 776.2469 NA PeJP NA NA +PJ032549 GGSSTCCY C29H44N8O13S2 776.247 NA PeJP NA NA +PJ032550 ACCCCKF C30H48N8O8S4 776.2478 NA PeJP NA NA +PJ032551 SDDDYY C33H40N6O16 776.2501 NA PeJP NA NA +PJ032552 PCCEYY C34H44N6O11S2 776.251 NA PeJP NA NA +PJ032553 SDMMMY C31H48N6O11S3 776.2543 NA PeJP NA NA +PJ032554 CCMHHF C32H44N10O7S3 776.2557 NA PeJP NA NA +PJ032555 GNNNDDE C27H40N10O17 776.2573 NA PeJP NA NA +PJ032556 GGGGGGGDDE C27H40N10O17 776.2574 NA PeJP NA NA +PJ032557 GSCNEMH C28H44N10O12S2 776.2582 NA PeJP NA NA +PJ032558 DDDEHF C32H40N8O15 776.2614 NA PeJP NA NA +PJ032559 GPPCCDW C33H44N8O10S2 776.2622 NA PeJP NA NA +C01217 5,6,7,8-Tetrahydromethanopterin C30H45N6O16P 776.263 NA KEGG NA NA +PJ032560 GSSSSSCY C29H44N8O15S 776.2647 NA PeJP NA NA +PJ032561 GTCCCKY C30H48N8O10S3 776.2656 NA PeJP NA NA +PJ032562 CDEHHH C30H40N12O11S 776.2661 NA PeJP NA NA +PJ032563 GDEMYY C34H44N6O13S 776.2687 NA PeJP NA NA +PJ032564 GSCCDHR C27H44N12O11S2 776.2694 NA PeJP NA NA +PJ032565 NNNDDW C31H40N10O14 776.2726 NA PeJP NA NA +PJ032566 AMMMMY C32H52N6O8S4 776.273 NA PeJP NA NA +PJ032567 SCNMHW C32H44N10O9S2 776.2734 NA PeJP NA NA +PJ032568 GGSCMHW C32H44N10O9S2 776.2735 NA PeJP NA NA +MJ094017 Tricoloroside; Me ester C34H48O20 776.273893 NA MeJP NA NA +C01001 Formylmethanofuran C35H44N4O16 776.2752 NA KEGG NA NA +MJ094018 Formylmethanofuran C35H44N4O16 776.275231 NA MeJP NA NA +MetaCyc04128 formyl-methanofuran a [N-formylmethanofuran;formyl-MFR;] C35H44N4O16 776.275231 NA metacyc NA NA +PJ032569 SSSNDMH C28H44N10O14S 776.2759 NA PeJP NA NA +PJ032570 GPCDDDR C28H44N10O14S 776.276 NA PeJP NA NA +PJ032571 NNMMMH C29H48N10O9S3 776.2768 NA PeJP NA NA +PJ032572 PNDDMW C33H44N8O12S 776.28 NA PeJP NA NA +PJ032573 NQEEEE C29H44N8O17 776.2825 NA PeJP NA NA +MJ094019 Sanggenol J C45H44O12 776.283276 NA MeJP NA NA +MJ094020 Sanggenon E C45H44O12 776.283276 NA MeJP NA NA +MJ094021 Sorocein H C45H44O12 776.283276 NA MeJP NA NA +PJ032574 SSSCCKY C30H48N8O12S2 776.2833 NA PeJP NA NA +PJ032575 GGSPPCEM C30H48N8O12S2 776.2834 NA PeJP NA NA +PJ032576 DMYYW C38H44N6O10S 776.284 NA PeJP NA NA +PJ032577 PMMMMH C31H52N8O7S4 776.2842 NA PeJP NA NA +PJ032578 SSEEYY C34H44N6O15 776.2865 NA PeJP NA NA +PJ032579 GNNNNNM C27H44N12O13S 776.2872 NA PeJP NA NA +PJ032580 PTCMYY C35H48N6O10S2 776.2874 NA PeJP NA NA +PJ032581 CCQMHR C28H48N12O8S3 776.2881 NA PeJP NA NA +MJ094022 Buddlenol E; 5'-Methoxy, 4''-O-?-D-glucopyranoside C38H48O17 776.28915 NA MeJP NA NA +PJ032582 TTMMMY C32H52N6O10S3 776.2907 NA PeJP NA NA +PJ032583 GSSTCHW C32H44N10O11S 776.2912 NA PeJP NA NA +PJ032584 NDDEER C28H44N10O16 776.2937 NA PeJP NA NA +PJ032585 SPPCCDR C29H48N10O11S2 776.2946 NA PeJP NA NA +PJ032586 GPCEWW C37H44N8O9S 776.2952 NA PeJP NA NA +PJ032587 GQEEEW C33H44N8O14 776.2977 NA PeJP NA NA +PJ032588 GSPPCMW C34H48N8O9S2 776.2986 NA PeJP NA NA +PJ032589 CCCHRR C27H48N14O7S3 776.2993 NA PeJP NA NA +PJ032590 GSPQEEM C30H48N8O14S 776.3011 NA PeJP NA NA +PJ032591 GPDYYY C38H44N6O12 776.3017 NA PeJP NA NA +PJ032592 GDEFFY C38H44N6O12 776.3018 NA PeJP NA NA +PJ032593 VEMMMH C31H52N8O9S3 776.302 NA PeJP NA NA +PJ032594 SEMHHH C31H44N12O10S 776.3024 NA PeJP NA NA +PJ032595 MMFYW C39H48N6O7S2 776.3026 NA PeJP NA NA +MJ094023 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,10-Dibenzoyl, 4,7,9,13-tetra-Ac C42H48O14 776.304406 NA MeJP NA NA +MJ094024 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,7-Dibenzoyl, 4,9,10,13-tetra-Ac C42H48O14 776.304406 NA MeJP NA NA +MJ094025 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 9,10-Dibenzoyl, 2,4,7,13-tetra-Ac C42H48O14 776.304406 NA MeJP NA NA +PJ032596 GSNNDDR C27H44N12O15 776.3049 NA PeJP NA NA +PJ032597 GGGSNDDR C27H44N12O15 776.305 NA PeJP NA NA +PJ032598 ATEMYY C35H48N6O12S 776.3051 NA PeJP NA NA +PJ032599 GSSCMHR C28H48N12O10S2 776.3058 NA PeJP NA NA +PJ032600 AMMMFF C36H52N6O7S3 776.306 NA PeJP NA NA +PJ032601 GCQHFW C36H44N10O8S 776.3065 NA PeJP NA NA +PJ032602 LEEEEE C31H48N6O17 776.3076 NA PeJP NA NA +PJ032603 SSSSSHW C32H44N10O13 776.3089 NA PeJP NA NA +PJ032604 GDDERW C32H44N10O13 776.309 NA PeJP NA NA +PJ032605 TCCKHW C33H48N10O8S2 776.3098 NA PeJP NA NA +PJ032606 PCWWW C41H44N8O6S 776.3105 NA PeJP NA NA +PJ032607 GSPDDMR C29H48N10O13S 776.3123 NA PeJP NA NA +PJ032608 GGGGAAQEM C29H48N10O13S 776.3124 NA PeJP NA NA +PJ032609 QEEWW C37H44N8O11 776.313 NA PeJP NA NA +PJ032610 APPCCMR C30H52N10O8S3 776.3132 NA PeJP NA NA +C15736 Patellamide B C38H48N8O6S2 776.3138 NA KEGG NA NA +C15737 Patellamide D C38H48N8O6S2 776.3138 NA KEGG NA NA +MJ094026 Patellamide B C38H48N8O6S2 776.313822 NA MeJP NA NA +MJ094027 Patellamide D C38H48N8O6S2 776.313822 NA MeJP NA NA +PJ032611 SPQEMW C34H48N8O11S 776.3163 NA PeJP NA NA +PJ032612 PTNEMW C34H48N8O11S 776.3164 NA PeJP NA NA +PJ032613 DFFYW C42H44N6O9 776.317 NA PeJP NA NA +PJ032614 PCHHHF C35H44N12O7S 776.3177 NA PeJP NA NA +PJ032615 SSPTQEE C30H48N8O16 776.3188 NA PeJP NA NA +PJ032616 NKEEEE C30H48N8O16 776.3189 NA PeJP NA NA +PJ032617 AAPQEMM C31H52N8O11S2 776.3197 NA PeJP NA NA +PJ032618 GSPNEHH C31H44N12O12 776.3202 NA PeJP NA NA +PJ032619 GPMFYY C39H48N6O9S 776.3204 NA PeJP NA NA +PJ032620 CLMHHH C32H48N12O7S2 776.3211 NA PeJP NA NA +PJ032621 TTTEYY C35H48N6O14 776.3229 NA PeJP NA NA +PJ032622 SSSTCHR C28H48N12O12S 776.3236 NA PeJP NA NA +PJ032623 GLMMYY C36H52N6O9S2 776.3237 NA PeJP NA NA +PJ032624 DDRWW C36H44N10O10 776.3242 NA PeJP NA NA +PJ032625 CCKMHR C29H52N12O7S3 776.3244 NA PeJP NA NA +PJ032626 SPCERW C33H48N10O10S 776.3276 NA PeJP NA NA +PJ032627 AEWWW C41H44N8O8 776.3282 NA PeJP NA NA +PJ032628 SQEEER C29H48N10O15 776.3301 NA PeJP NA NA +PJ032629 PNEMMR C30H52N10O10S2 776.331 NA PeJP NA NA +PJ032630 NNQQHH C30H44N14O11 776.3314 NA PeJP NA NA +PJ032631 GGGGGAQHH C30H44N14O11 776.3315 NA PeJP NA NA +PJ032632 GPTMWW C38H48N8O8S 776.3316 NA PeJP NA NA +PJ032633 GKEEEW C34H48N8O13 776.3341 NA PeJP NA NA +PJ032634 CNNDRR C27H48N14O11S 776.3348 NA PeJP NA NA +PJ032635 PVNMMW C35H52N8O8S2 776.335 NA PeJP NA NA +PJ032636 SPNHHW C35H44N12O9 776.3354 NA PeJP NA NA +PJ032637 GGSPHHW C35H44N12O9 776.3355 NA PeJP NA NA +PJ032638 MFFFW C43H48N6O6S 776.3356 NA PeJP NA NA +PJ032639 GSPKEEM C31H52N8O13S 776.3375 NA PeJP NA NA +PJ032640 APTYYY C39H48N6O11 776.3381 NA PeJP NA NA +PJ032641 APPCKMM C32H56N8O8S3 776.3384 NA PeJP NA NA +PJ032642 GNNMRW C32H48N12O9S 776.3388 NA PeJP NA NA +PJ032643 SDDERR C28H48N12O14 776.3413 NA PeJP NA NA +PJ032644 GGGGGGGGSSK C28H48N12O14 776.3414 NA PeJP NA NA +PJ032645 STLMYY C36H52N6O11S 776.3415 NA PeJP NA NA +PJ032646 PCDMRR C29H52N12O9S2 776.3422 NA PeJP NA NA +PJ032647 GCKHFW C37H48N10O7S 776.3429 NA PeJP NA NA +PJ032648 ASEERW C33H48N10O12 776.3453 NA PeJP NA NA +PJ032649 GTEERW C33H48N10O12 776.3454 NA PeJP NA NA +PJ032650 GPMMRW C34H52N10O7S2 776.3462 NA PeJP NA NA +PJ032651 VNEEMR C30H52N10O12S 776.3487 NA PeJP NA NA +PJ032652 KEEWW C38H48N8O10 776.3494 NA PeJP NA NA +PJ032653 CKKMMH C31H56N10O7S3 776.3496 NA PeJP NA NA +PJ032654 PCQHHR C31H48N14O8S 776.3501 NA PeJP NA NA +MJ094028 Antibiotic DC 92B C42H52N2O12 776.352025 NA MeJP NA NA +PJ032655 SPKEMW C35H52N8O10S 776.3527 NA PeJP NA NA +PJ032656 GGVVEMW C35H52N8O10S 776.3528 NA PeJP NA NA +PJ032657 VFYYW C43H48N6O8 776.3534 NA PeJP NA NA +PJ032658 DKKEEE C31H52N8O15 776.3552 NA PeJP NA NA +PJ032659 AATKEEE C31H52N8O15 776.3553 NA PeJP NA NA +PJ032660 AAPKEMM C32H56N8O10S2 776.3561 NA PeJP NA NA +PJ032661 SSNQRW C32H48N12O11 776.3566 NA PeJP NA NA +PJ032662 GLMFFY C40H52N6O8S 776.3568 NA PeJP NA NA +PJ032663 SQQQMR C29H52N12O11S 776.3599 NA PeJP NA NA +PJ032664 GEEMRR C29H52N12O11S 776.36 NA PeJP NA NA +PJ032665 TERWW C37H48N10O9 776.3606 NA PeJP NA NA +MJ094029 3,12,30-Trihydroxy-23-oxoeupha-7,24-dien-21,16-olid-28-oic acid, 28-O-?-D-Glucopyranosyl ester, 3,30-di-Ac C40H56O15 776.361921 NA MeJP NA NA +MJ094030 Longicatenamycin C36H53ClN8O9 776.362403 NA MeJP NA NA +PJ032666 GVEMRW C34H52N10O9S 776.364 NA PeJP NA NA +PJ032667 SLWWW C42H48N8O7 776.3646 NA PeJP NA NA +MJ094031 Neomycin B; O5''-?-D-Glucopyranoside C29H56N6O18 776.365109 NA MeJP NA NA +PJ032668 SKEEER C30H52N10O14 776.3665 NA PeJP NA NA +PJ032669 AAPTMMR C31H56N10O9S2 776.3673 NA PeJP NA NA +PJ032670 PDKMMR C31H56N10O9S2 776.3674 NA PeJP NA NA +PJ032671 AQEHHR C31H48N14O10 776.3678 NA PeJP NA NA +PJ032672 AALMWW C39H52N8O7S 776.368 NA PeJP NA NA +PJ032673 SVKEEW C35H52N8O12 776.3705 NA PeJP NA NA +PJ032674 SNNMRR C28H52N14O10S 776.3712 NA PeJP NA NA +PJ032675 PCLKMW C36H56N8O7S2 776.3714 NA PeJP NA NA +PJ032676 GLQHHW C36H48N12O8 776.3718 NA PeJP NA NA +PJ032677 GGALHHW C36H48N12O8 776.3719 NA PeJP NA NA +PJ032678 LQKEEM C32H56N8O12S 776.3739 NA PeJP NA NA +PJ032679 GVLYYY C40H52N6O10 776.3745 NA PeJP NA NA +PJ032680 EMRRW C33H52N12O8S 776.3752 NA PeJP NA NA +PJ032681 STEERR C29H52N12O13 776.3777 NA PeJP NA NA +PJ032682 SPMMRR C30H56N12O8S2 776.3786 NA PeJP NA NA +PJ032683 GDHHRR C30H48N16O9 776.3791 NA PeJP NA NA +PJ032684 VMRWW C38H52N10O6S 776.3792 NA PeJP NA NA +PJ032685 SSLERW C34H52N10O11 776.3817 NA PeJP NA NA +PJ032686 GGGGAAPKY C34H52N10O11 776.3818 NA PeJP NA NA +PJ032687 AAHHRW C35H48N14O7 776.3831 NA PeJP NA NA +PJ032688 VDKEMR C31H56N10O11S 776.3851 NA PeJP NA NA +PJ032689 ATTLWW C39H52N8O9 776.3857 NA PeJP NA NA +PJ032690 SSVLWW C39H52N8O9 776.3858 NA PeJP NA NA +PJ032691 PCKHHR C32H52N14O7S 776.3865 NA PeJP NA NA +MJ094032 Disorazole A1; 9,10-Diol C43H56N2O11 776.38841 NA MeJP NA NA +MJ094033 Disorazole G3 C43H56N2O11 776.38841 NA MeJP NA NA +PJ032692 GSSSQRR C28H52N14O12 776.3889 NA PeJP NA NA +PJ032693 GGGSSTRR C28H52N14O12 776.389 NA PeJP NA NA +PJ032694 ALKEMW C36H56N8O9S 776.3891 NA PeJP NA NA +PJ032695 GLFFFF C44H52N6O7 776.3898 NA PeJP NA NA +PJ032696 GTTLKEE C32H56N8O14 776.3916 NA PeJP NA NA +MJ094034 Furobiclausarin C48H56O9 776.392433 NA MeJP NA NA +PJ032697 GPTLKMM C33H60N8O9S2 776.3925 NA PeJP NA NA +PJ032698 SSNKRW C33H52N12O10 776.393 NA PeJP NA NA +7737 NA IAYKPEG 776.393 antioxidative Inhouse_peptide NA peptide +PJ032699 SVEMRR C30H56N12O10S 776.3963 NA PeJP NA NA +PJ032700 GGGATKMR C30H56N12O10S 776.3964 NA PeJP NA NA +PJ032701 GPVRYW C38H52N10O8 776.397 NA PeJP NA NA +PJ032702 ATLMRW C35H56N10O8S 776.4004 NA PeJP NA NA +PJ032703 PTTTTTR C31H56N10O13 776.4028 NA PeJP NA NA +PJ032704 GTTTLER C31H56N10O13 776.4029 NA PeJP NA NA +PJ032705 VLQMMR C32H60N10O8S2 776.4037 NA PeJP NA NA +PJ032706 GNQFRR C32H52N14O9 776.4042 NA PeJP NA NA +PJ032707 TTLKEW C36H56N8O11 776.4069 NA PeJP NA NA +PJ032708 SCQKRR C29H56N14O9S 776.4076 NA PeJP NA NA +PJ032709 PRRYW C37H52N12O7 776.4082 NA PeJP NA NA +PJ032710 SPTTLKM C33H60N8O11S 776.4102 NA PeJP NA NA +PJ032711 LKKEEM C33H60N8O11S 776.4103 NA PeJP NA NA +PJ032712 GCKKRW C34H56N12O7S 776.4116 NA PeJP NA NA +PJ032713 GSSDKKR C30H56N12O12 776.4141 NA PeJP NA NA +PJ032714 ALMMRR C31H60N12O7S2 776.415 NA PeJP NA NA +PJ032715 ATHHRR C31H52N16O8 776.4154 NA PeJP NA NA +MJ094035 Aplasmomycin C40H60BO14(-) 776.415437 NA MeJP NA NA +PJ032716 TTTLRW C35H56N10O10 776.4181 NA PeJP NA NA +MJ094036 1,6,10,14-Phytatetraene-3,17-diol, 17-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 3-O-?-D-glucopyranoside C38H64O16 776.419436 NA MeJP NA NA +MJ094037 1,6,10,14-Phytatetraene-3,17-diol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 17-O-?-D-glucopyranoside C38H64O16 776.419436 NA MeJP NA NA +PJ032717 TLKEMR C32H60N10O10S 776.4215 NA PeJP NA NA +PJ032718 APLKYW C40H56N8O8 776.4221 NA PeJP NA NA +PJ032719 GAALLFW C40H56N8O8 776.4222 NA PeJP NA NA +PJ032720 GSSSKRR C29H56N14O11 776.4253 NA PeJP NA NA +PJ032721 SLLKMW C37H60N8O8S 776.4255 NA PeJP NA NA +PJ032722 SSTLLKE C33H60N8O13 776.428 NA PeJP NA NA +PJ032723 AALLKMM C34H64N8O8S2 776.4289 NA PeJP NA NA +PJ032724 AQQKFR C34H56N12O9 776.4293 NA PeJP NA NA +PJ032725 SPVRRY C34H56N12O9 776.4294 NA PeJP NA NA +MJ094038 5-Cyclohexyl-2,4,5-trideoxy-N-hexyl-4-[[N-[3-(1-naphthalenyl)-N-(4-morpholinylacetyl)-L-alanyl]-3-(4-thiazolyl)-L-alanyl]amino]-L-threo-pentonamide C42H60N6O6S 776.429504 NA MeJP NA NA +PJ032726 TTLMRR C31H60N12O9S 776.4327 NA PeJP NA NA +PJ032727 GVLFRW C39H56N10O7 776.4334 NA PeJP NA NA +MJ094039 Atratogenin A; 3-O-?-D-Cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-cymaropyranoside C42H64O13 776.434692 NA MeJP NA NA +PJ032728 GKKKMW C36H60N10O7S 776.4368 NA PeJP NA NA +3266 NA KKQRFRHRNRQ 776.4384 MH2+ Inhouse_peptide NA peptide +PJ032729 SSTTLLR C32H60N10O12 776.4392 NA PeJP NA NA +PJ032730 GGSSTLKK C32H60N10O12 776.4393 NA PeJP NA NA +PJ032731 VLKMMR C33H64N10O7S2 776.4401 NA PeJP NA NA +PJ032732 GNKFRR C33H56N14O8 776.4406 NA PeJP NA NA +PJ032733 PLKKEY C37H60N8O10 776.4433 NA PeJP NA NA +PJ032734 SCKKRR C30H60N14O8S 776.444 NA PeJP NA NA +PJ032735 LFRRW C38H56N12O6 776.4446 NA PeJP NA NA +PJ032736 ATTLLKM C34H64N8O10S 776.4466 NA PeJP NA NA +PJ032737 GSTTKKR C31H60N12O11 776.4505 NA PeJP NA NA +PJ032738 STKKKW C36H60N10O9 776.4545 NA PeJP NA NA +PJ032739 DKKKKM C33H64N10O9S 776.4579 NA PeJP NA NA +PJ032740 ALLKFW C41H60N8O7 776.4585 NA PeJP NA NA +PJ032741 TTTTLLK C34H64N8O12 776.4644 NA PeJP NA NA +PJ032742 GLLRRY C35H60N12O8 776.4657 NA PeJP NA NA +PJ032743 GAAKKFR C35H60N12O8 776.4658 NA PeJP NA NA +PJ032744 SKKKMR C32H64N12O8S 776.4691 NA PeJP NA NA +MJ094040 Antibiotic PC 766B C43H68O12 776.471077 NA MeJP NA NA +PJ032745 SSSLKKK C33H64N10O11 776.4756 NA PeJP NA NA +PJ032746 PVLHRR C34H60N14O7 776.477 NA PeJP NA NA +PJ032747 LLLQKY C38H64N8O9 776.4797 NA PeJP NA NA +PJ032748 VVLKRY C37H64N10O8 776.4909 NA PeJP NA NA +MJ094041 5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 13-O-?-D-Mannopyranoside, D-arabinitol-1-yl ester C40H72O14 776.492207 NA MeJP NA NA +MJ094042 Roselipin 1A C40H72O14 776.492207 NA MeJP NA NA +MJ094043 Caracasandiamide C42H64N8O6 776.494881 NA MeJP NA NA +3197 crabolin from venom of European hornet Vespa crabr FLPLILRKIVTALG 776.49595 MH2+ Inhouse_peptide NA peptide +PJ032749 AKKKFR C36H64N12O7 776.5021 NA PeJP NA NA +MJ094044 Oligomycin D C44H72O11 776.507463 NA MeJP NA NA +C11314 Oligomycin D C44H72O11 776.5075 NA KEGG NA NA +PJ032750 LLLKKY C39H68N8O8 776.516 NA PeJP NA NA +PJ032751 PPPIILK C39H68N8O8 776.5161 NA PeJP NA NA +PJ032752 VKKKKF C38H68N10O7 776.5273 NA PeJP NA NA +MJ094045 Bihoromycin C41H76O13 776.528592 NA MeJP NA NA +HMDB10603 PG(18:0/18:1(11Z)) C42H81O10P 776.556763 NA HMDB2010 NA NA +HMDB10604 PG(18:0/18:1(9Z)) C42H81O10P 776.556763 NA HMDB2010 NA NA +HMDB10617 PG(18:1(11Z)/18:0) C42H81O10P 776.556763 NA HMDB2010 NA NA +HMDB10632 PG(18:1(9Z)/18:0) C42H81O10P 776.556763 NA HMDB2010 NA NA +MJ094046 Huratoxin; 5-Deoxy, 6,7-deepoxy, 6,7-didehydro, 20-pentadecanoyl C49H76O7 776.559104 NA MeJP NA NA +MetaCyc04129 L-thyroxine [levothyroxine;thyroxin;dextrathyroxine;eltroxin;synthroid;levothroid;t4;dynothel;thyroxine;L-thyroxine;] C15H11N1O4I4 776.68668 51-48-9 metacyc NA NA +MetaCyc04130 thyroxine [2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid;] C15H11N1O4I4 776.68668 NA metacyc NA NA +MetaCyc04131 thyroxine [] C15H11N1O4I4 776.68668 7488-70-2 metacyc NA NA +MJ094047 O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine C15H11I4NO4 776.686681 NA MeJP NA NA +MJ094048 Thyroxine C15H11I4NO4 776.686681 NA MeJP NA NA +C01829 O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine C15H11I4NO4 776.6867 NA KEGG NA NA +HMDB00248 Thyroxine C15H11I4NO4 776.686707 NA HMDB2010 NA NA +HMDB00248 Thyroxine C15H11I4NO4 776.68671 http://www.hmdb.ca/metabolites/HMDB00248 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00248 Thyroxine C15H11I4NO4 776.68671 http://www.hmdb.ca/metabolites/HMDB00248 HMDB NA NA +HMDB00248 Thyroxine C15H11I4NO4 776.68671 NA ;SYN:3-methoxytyrosine; 3-methoxy-tyrosine; l-3-Methoxy tyrosine; L-3-Methoxytyrosine; 3-O-Methyldopa; L-4-Hydroxy-3-methoxyphenylalanine; vanilalanineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB00248 Thyroxine C15H11I4NO4 776.68671 http://www.hmdb.ca/metabolites/HMDB00248 PFEM_hmdb_metabocards_blood NA blood +HMDB00248 Thyroxine C15H11I4NO4 776.68671 HMDB00248 PFEM_hmdb_metabocards_official NA NA +EUR645 L-Thyroxine [M+H]+ NA 776.686775 10.19 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR645 L-Thyroxine [M+H]+ NA 776.686775 10.19 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR645 L-Thyroxine [M+H]+ NA 776.686775 10.19 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR645 L-Thyroxine [M+H]+ NA 776.686775 10.19 Inhousejuil11 NA NA +HMDB10412 TG(16:0/14:0/16:1(9Z))[iso6] C49H92O6 776.689392 NA HMDB2010 NA NA +MJ094049 14-Taraxeren-3-ol, O-Tetracosanoyl C54H96O2 776.741032 NA MeJP NA NA +MJ094050 18-Oleanen-3-ol, O-Tetracosanoyl C54H96O2 776.741032 NA MeJP NA NA +MJ094051 20(29)-Lupen-3-ol, Tetracosanoyl C54H96O2 776.741032 NA MeJP NA NA +MJ094052 Iomeprol C17H22I3N3O8 776.854094 NA MeJP NA NA +MJ094053 Iopamidol C17H22I3N3O8 776.854094 NA MeJP NA NA +3009 kinases inhibitor KKKLRRQEAVDAL 776.96045 MH2+ Inhouse_peptide NA peptide +PJ032753 CCCCCDE C24H39N7O12S5 777.1261 NA PeJP NA NA +PJ032754 SCCCCEM C25H43N7O11S5 777.1624 NA PeJP NA NA +PJ032755 GCCCDDY C28H39N7O13S3 777.1768 NA PeJP NA NA +PJ032756 PCCCCCF C29H43N7O8S5 777.1777 NA PeJP NA NA +PJ032757 GCCCMMM C26H47N7O8S6 777.1811 NA PeJP NA NA +PJ032758 SPCCCCY C29H43N7O10S4 777.1954 NA PeJP NA NA +PJ032759 GCCCDMF C29H43N7O10S4 777.1955 NA PeJP NA NA +PJ032760 STCCCMM C26H47N7O10S5 777.1988 NA PeJP NA NA +PJ032761 GCCDDEH C27H39N9O14S2 777.2058 NA PeJP NA NA +PJ032762 GSCCDMY C29H43N7O12S3 777.2132 NA PeJP NA NA +PJ032763 CCDDHW C31H39N9O11S2 777.2211 NA PeJP NA NA +PJ032764 SSCDDDH C27H39N9O16S 777.2236 NA PeJP NA NA +PJ032765 SPCCCEH C28H43N9O11S3 777.2244 NA PeJP NA NA +PJ032766 TCCCYW C33H43N7O9S3 777.2285 NA PeJP NA NA +PJ032767 SPDDDDD C28H39N7O19 777.2301 NA PeJP NA NA +PJ032768 SSSCCEY C29H43N7O14S2 777.231 NA PeJP NA NA +PJ032769 CCQMMY C30H47N7O9S4 777.2318 NA PeJP NA NA +PJ032770 GCCNNMH C27H43N11O10S3 777.2357 NA PeJP NA NA +PJ032771 GNNDDDE C27H39N9O18 777.2413 NA PeJP NA NA +PJ032772 GGGNDDDE C27H39N9O18 777.2414 NA PeJP NA NA +PJ032773 GSCDEMH C28H43N9O13S2 777.2422 NA PeJP NA NA +PJ032774 CCCMRY C29H47N9O8S4 777.2431 NA PeJP NA NA +PJ032775 CCNEFY C33H43N7O11S2 777.2462 NA PeJP NA NA +MJ094054 Perdeacylisowilfordine; 8-Ketone, 1,2,6,9,14-penta-Ac C36H43NO18 777.248013 NA MeJP NA NA +MJ094055 Perdeacylwilfortrine; 8-Ketone, 1,2,6,9,14-penta-Ac C36H43NO18 777.248013 NA MeJP NA NA +PJ032776 GPDDDEM C29H43N7O16S 777.2487 NA PeJP NA NA +PJ032777 GSSCMMY C30H47N7O11S3 777.2496 NA PeJP NA NA +MJ094056 Dactylocycline F C36H44ClN3O14 777.25118 NA MeJP NA NA +PJ032778 SSCCNQH C27H43N11O12S2 777.2534 NA PeJP NA NA +PJ032779 GGGGSTCCH C27H43N11O12S2 777.2535 NA PeJP NA NA +PJ032780 NNDDDW C31H39N9O15 777.2566 NA PeJP NA NA +MJ094057 Ecteinascidin 743; N-Oxide C39H43N3O12S 777.256744 NA MeJP NA NA +PJ032781 SCDMHW C32H43N9O10S2 777.2575 NA PeJP NA NA +PJ032782 SSSDDMH C28H43N9O15S 777.26 NA PeJP NA NA +PJ032783 NDMMMH C29H47N9O10S3 777.2608 NA PeJP NA NA +PJ032784 GGGGPPCCM C29H47N9O10S3 777.2609 NA PeJP NA NA +PJ032785 GCCFYW C37H43N7O8S2 777.2615 NA PeJP NA NA +MJ094058 Antibiotic SF 2575 C40H43NO15 777.263269 NA MeJP NA NA +PJ032786 PDDDMW C33H43N7O13S 777.264 NA PeJP NA NA +PJ032787 CCQMFF C34H47N7O8S3 777.2649 NA PeJP NA NA +PJ032788 NEEEEE C29H43N7O18 777.2665 NA PeJP NA NA +PJ032789 SSSTCMY C30H47N7O13S2 777.2673 NA PeJP NA NA +PJ032790 SPPCDEM C30H47N7O13S2 777.2674 NA PeJP NA NA +PJ032791 CCKMMY C31H51N7O8S4 777.2682 NA PeJP NA NA +PJ032792 GSSSSCNH C27H43N11O14S 777.2712 NA PeJP NA NA +PJ032793 CCEMHR C28H47N11O9S3 777.2721 NA PeJP NA NA +PJ032794 GSPCNDW C32H43N9O12S 777.2752 NA PeJP NA NA +PJ032795 ACMMHW C33H47N9O7S3 777.2761 NA PeJP NA NA +PJ032796 DDDEER C28H43N9O17 777.2777 NA PeJP NA NA +PJ032797 GSSEMMH C29H47N9O12S2 777.2786 NA PeJP NA NA +PJ032798 GSCYYW C37H43N7O10S 777.2792 NA PeJP NA NA +PJ032799 CNMHHH C30H43N13O8S2 777.2799 NA PeJP NA NA +PJ032800 ADEEEW C33H43N7O15 777.2817 NA PeJP NA NA +PJ032801 GEEEEW C33H43N7O15 777.2818 NA PeJP NA NA +PJ032802 GNMMYY C34H47N7O10S2 777.2826 NA PeJP NA NA +PJ032803 GSPEEEM C30H47N7O15S 777.2851 NA PeJP NA NA +PJ032804 GPPDMMM C31H51N7O10S3 777.286 NA PeJP NA NA +PJ032805 CNNNQW C31H43N11O11S 777.2864 NA PeJP NA NA +PJ032806 GGCNNQW C31H43N11O11S 777.2865 NA PeJP NA NA +MJ094059 Trenudine; 5'-Ketone, N'-Me C37H48ClN3O13 777.287566 NA MeJP NA NA +PJ032807 SSNNNNE C27H43N11O16 777.2889 NA PeJP NA NA +PJ032808 GSNDDDR C27H43N11O16 777.289 NA PeJP NA NA +PJ032809 GPCCNER C28H47N11O11S2 777.2898 NA PeJP NA NA +PJ032810 GCEHFW C36H43N9O9S 777.2905 NA PeJP NA NA +PJ032811 SNNEEW C32H43N9O14 777.293 NA PeJP NA NA +PJ032812 SSMMHW C33H47N9O9S2 777.2938 NA PeJP NA NA +PJ032813 GGPCQMW C33H47N9O9S2 777.2939 NA PeJP NA NA +PJ032814 SSSTEMH C29H47N9O14S 777.2963 NA PeJP NA NA +PJ032815 GGQQEEM C29H47N9O14S 777.2964 NA PeJP NA NA +PJ032816 EEEWW C37H43N7O12 777.297 NA PeJP NA NA +PJ032817 TQMMMH C30H51N9O9S3 777.2972 NA PeJP NA NA +PJ032818 GSTCHHH C30H43N13O10S 777.2977 NA PeJP NA NA +PJ032819 SPEEMW C34H47N7O12S 777.3004 NA PeJP NA NA +PJ032820 CCKMFF C35H51N7O7S3 777.3012 NA PeJP NA NA +PJ032821 DKEEEE C30H47N7O17 777.3029 NA PeJP NA NA +PJ032822 AAPEEMM C31H51N7O12S2 777.3037 NA PeJP NA NA +PJ032823 GPVDEMM C31H51N7O12S2 777.3038 NA PeJP NA NA +PJ032824 GSSNNNW C31H43N11O13 777.3042 NA PeJP NA NA +PJ032825 PCCNRW C32H47N11O8S2 777.3051 NA PeJP NA NA +PJ032826 CHFWW C40H43N9O6S 777.3057 NA PeJP NA NA +PJ032827 NNDEMR C28H47N11O13S 777.3076 NA PeJP NA NA +PJ032828 GSNEWW C36H43N9O11 777.3082 NA PeJP NA NA +PJ032829 TCMMHR C29H51N11O8S3 777.3085 NA PeJP NA NA +PJ032830 GQQEMW C33H47N9O11S 777.3116 NA PeJP NA NA +PJ032831 SEEEER C29H47N9O16 777.3141 NA PeJP NA NA +PJ032832 PDEMMR C30H51N9O11S2 777.315 NA PeJP NA NA +PJ032833 SSSSHHH C30H43N13O12 777.3154 NA PeJP NA NA +PJ032834 GGNQEHH C30H43N13O12 777.3155 NA PeJP NA NA +PJ032835 PPCEFW C38H47N7O9S 777.3156 NA PeJP NA NA +PJ032836 SVEEEW C34H47N7O14 777.3181 NA PeJP NA NA +PJ032837 CNDDRR C27H47N13O12S 777.3188 NA PeJP NA NA +PJ032838 PVDMMW C35H51N7O9S2 777.319 NA PeJP NA NA +PJ032839 SPDHHW C35H43N11O10 777.3195 NA PeJP NA NA +PJ032840 LQEEEM C31H51N7O14S 777.3215 NA PeJP NA NA +PJ032841 APPTMMM C32H55N7O9S3 777.3224 NA PeJP NA NA +PJ032842 GNDMRW C32H47N11O10S 777.3228 NA PeJP NA NA +PJ032843 GGGDMRW C32H47N11O10S 777.3229 NA PeJP NA NA +PJ032844 SNWWW C40H43N9O8 777.3235 NA PeJP NA NA +MJ094060 Maytansine; 15-Acetoxy, N2'-de-Ac, N2'-(2-methylpropanoyl) C38H52ClN3O12 777.323951 NA MeJP NA NA +PJ032845 GSSNEER C28H47N11O15 777.3253 NA PeJP NA NA +PJ032846 GGGSSEER C28H47N11O15 777.3254 NA PeJP NA NA +MJ094061 Milliamine C; 20-Ac, N-de-Me C44H47N3O10 777.326144 NA MeJP NA NA +PJ032847 GSPCQMR C29H51N11O10S2 777.3262 NA PeJP NA NA +PJ032848 QQMWW C37H47N9O8S 777.3268 NA PeJP NA NA +PJ032849 GAQMWW C37H47N9O8S 777.3269 NA PeJP NA NA +PJ032850 SSSPTHY C33H47N9O13 777.3293 NA PeJP NA NA +PJ032851 SNDKEW C33H47N9O13 777.3294 NA PeJP NA NA +PJ032852 PCNKMW C34H51N9O8S2 777.3302 NA PeJP NA NA +PJ032853 GNQHHW C34H43N13O9 777.3307 NA PeJP NA NA +PJ032854 VDEEMR C30H51N9O13S 777.3327 NA PeJP NA NA +PJ032855 GGGAKEEM C30H51N9O13S 777.3328 NA PeJP NA NA +PJ032856 SPPEYW C38H47N7O11 777.3334 NA PeJP NA NA +PJ032857 TKMMMH C31H55N9O8S3 777.3336 NA PeJP NA NA +PJ032858 PCEHHR C31H47N13O9S 777.3341 NA PeJP NA NA +MJ094062 Taxol?; N-Debenzoyl, N-butanoyl, 10-de-Ac C42H51NO13 777.33604 NA MeJP NA NA +PJ032859 SSSNNNR C27H47N13O14 777.3366 NA PeJP NA NA +PJ032860 SSKMYY C35H51N7O11S 777.3367 NA PeJP NA NA +PJ032861 ALEEMW C35H51N7O11S 777.3368 NA PeJP NA NA +PJ032862 GSPCCRR C28H51N13O9S2 777.3375 NA PeJP NA NA +PJ032863 CQRWW C36H47N11O7S 777.3381 NA PeJP NA NA +PJ032864 PTTTTEE C31H51N7O16 777.3392 NA PeJP NA NA +PJ032865 GTTLEEE C31H51N7O16 777.3393 NA PeJP NA NA +PJ032866 GPTLEMM C32H55N7O11S2 777.3401 NA PeJP NA NA +PJ032867 SSNERW C32H47N11O12 777.3406 NA PeJP NA NA +PJ032868 GMMHFR C33H51N11O7S2 777.3415 NA PeJP NA NA +PJ032869 PNHHHH C33H43N15O8 777.3419 NA PeJP NA NA +PJ032870 GGPHHHH C33H43N15O8 777.342 NA PeJP NA NA +PJ032871 SQQEMR C29H51N11O12S 777.344 NA PeJP NA NA +PJ032872 GSDKWW C37H47N9O10 777.3446 NA PeJP NA NA +PJ032873 GQKEMW C34H51N9O10S 777.348 NA PeJP NA NA +PJ032874 GNFFFF C42H47N7O8 777.3486 NA PeJP NA NA +PJ032875 GGGFFFF C42H47N7O8 777.3487 NA PeJP NA NA +MJ094063 Mannosylparomomycin C29H55N5O19 777.349124 NA MeJP NA NA +PJ032876 GSTQKEE C30H51N9O15 777.3505 NA PeJP NA NA +PJ032877 GSPQKMM C31H55N9O10S2 777.3514 NA PeJP NA NA +PJ032878 NNNNFR C31H47N13O11 777.3518 NA PeJP NA NA +PJ032879 GGGGGGNFR C31H47N13O11 777.3519 NA PeJP NA NA +PJ032880 PPCLYW C39H51N7O8S 777.352 NA PeJP NA NA +PJ032881 TTLEEW C35H51N7O13 777.3545 NA PeJP NA NA +PJ032882 SNDMRR C28H51N13O11S 777.3552 NA PeJP NA NA +PJ032883 PTLMMW C36H55N7O8S2 777.3554 NA PeJP NA NA +PJ032884 GSSRWW C36H47N11O9 777.3559 NA PeJP NA NA +PJ032885 LKEEEM C32H55N7O13S 777.3579 NA PeJP NA NA +PJ032886 GPVLMMM C33H59N7O8S3 777.3588 NA PeJP NA NA +PJ032887 GTQMRW C33H51N11O9S 777.3592 NA PeJP NA NA +PJ032888 AAHFFW C41H47N9O7 777.3599 NA PeJP NA NA +PJ032889 GSSDKER C29H51N11O14 777.3617 NA PeJP NA NA +PJ032890 VNQMMR C30H55N11O9S2 777.3626 NA PeJP NA NA +PJ032891 SNQHHR C30H47N15O10 777.3631 NA PeJP NA NA +PJ032892 QKMWW C38H51N9O7S 777.3632 NA PeJP NA NA +PJ032893 GAKMWW C38H51N9O7S 777.3633 NA PeJP NA NA +PJ032894 STQKEW C34H51N9O12 777.3657 NA PeJP NA NA +PJ032895 GGASSTLW C34H51N9O12 777.3658 NA PeJP NA NA +PJ032896 PPMMFR C35H55N9O7S2 777.3666 NA PeJP NA NA +PJ032897 GNKHHW C35H47N13O8 777.3671 NA PeJP NA NA +PJ032898 TLEEMR C31H55N9O12S 777.3691 NA PeJP NA NA +PJ032899 APLEYW C39H51N7O10 777.3698 NA PeJP NA NA +PJ032900 PLMMMR C32H59N9O7S3 777.37 NA PeJP NA NA +PJ032901 GTCRRW C32H51N13O8S 777.3705 NA PeJP NA NA +PJ032902 LHHWW C40H47N11O6 777.3711 NA PeJP NA NA +PJ032903 GSSSERR C28H51N13O13 777.373 NA PeJP NA NA +PJ032904 SLLEMW C36H55N7O10S 777.3731 NA PeJP NA NA +PJ032905 GPVVEMF C36H55N7O10S 777.3732 NA PeJP NA NA +PJ032906 GQMMRR C29H55N13O8S2 777.3738 NA PeJP NA NA +PJ032907 CKRWW C37H51N11O6S 777.3745 NA PeJP NA NA +PJ032908 SSTLLEE C32H55N7O15 777.3756 NA PeJP NA NA +PJ032909 AALLEMM C33H59N7O10S2 777.3765 NA PeJP NA NA +PJ032910 SSDKRW C33H51N11O11 777.377 NA PeJP NA NA +PJ032911 SQKEMR C30H55N11O11S 777.3803 NA PeJP NA NA +PJ032912 TNKEMR C30H55N11O11S 777.3804 NA PeJP NA NA +PJ032913 GTTKWW C38H51N9O9 777.381 NA PeJP NA NA +PJ032914 GKKEMW C35H55N9O9S 777.3844 NA PeJP NA NA +PJ032915 GCMRRR C28H55N15O7S2 777.3851 NA PeJP NA NA +PJ032916 GSTKKEE C31H55N9O14 777.3869 NA PeJP NA NA +PJ032917 GSPKKMM C32H59N9O9S2 777.3877 NA PeJP NA NA +PJ032918 VLEMMR C32H59N9O9S2 777.3878 NA PeJP NA NA +23 Hemoglobin LGFPTTKTYFPHF 777.388 MH2+ Inhouse_peptide NA peptide +PJ032919 SSSRRW C32H51N13O10 777.3882 NA PeJP NA NA +PJ032920 PVVMFW C40H55N7O7S 777.3884 NA PeJP NA NA +PJ032921 PLKEEY C36H55N7O12 777.3909 NA PeJP NA NA +PJ032922 STQMRR C29H55N13O10S 777.3916 NA PeJP NA NA +PJ032923 VVLMMW C37H59N7O7S2 777.3918 NA PeJP NA NA +PJ032924 AAQFRW C37H51N11O8 777.3922 NA PeJP NA NA +PJ032925 GGGVFRW C37H51N11O8 777.3923 NA PeJP NA NA +PJ032926 ATTLLEM C33H59N7O12S 777.3943 NA PeJP NA NA +PJ032927 GTKMRW C34H55N11O8S 777.3956 NA PeJP NA NA +PJ032928 GSTTKER C30H55N11O13 777.3981 NA PeJP NA NA +PJ032929 VNKMMR C31H59N11O8S2 777.399 NA PeJP NA NA +PJ032930 SNKHHR C31H51N15O9 777.3995 NA PeJP NA NA +PJ032931 KKMWW C39H55N9O6S 777.3996 NA PeJP NA NA +PJ032932 STKKEW C35H55N9O11 777.4021 NA PeJP NA NA +MJ094064 Splenopentin; N2-Ac-Arg, N6-Ac-Lys C35H55N9O11 777.402103 NA MeJP NA NA +PJ032933 GGGGAALLY C35H55N9O11 777.4022 NA PeJP NA NA +PJ032934 STCRRR C28H55N15O9S 777.4028 NA PeJP NA NA +PJ032935 NFRRW C36H51N13O7 777.4035 NA PeJP NA NA +PJ032936 DKKKEM C32H59N9O11S 777.4055 NA PeJP NA NA +PJ032937 SPLLYW C40H55N7O9 777.4061 NA PeJP NA NA +PJ032938 PVTLYW C40H55N7O9 777.4062 NA PeJP NA NA +PJ032939 VVMHHR C33H55N13O7S 777.4069 NA PeJP NA NA +MJ094065 Ganefromycin ?; 23?-(Phenylacetoxy) C44H59NO11 777.408811 NA MeJP NA NA +PJ032940 GSTTTRR C29H55N13O12 777.4093 NA PeJP NA NA +PJ032941 AAPLLMY C37H59N7O9S 777.4095 NA PeJP NA NA +PJ032942 GKMMRR C30H59N13O7S2 777.4102 NA PeJP NA NA +PJ032943 TTTTLLE C33H59N7O14 777.412 NA PeJP NA NA +PJ032944 GTLLLMM C34H63N7O9S2 777.4129 NA PeJP NA NA +PJ032945 STTKRW C34H55N11O10 777.4134 NA PeJP NA NA +PJ032946 SKKEMR C31H59N11O10S 777.4167 NA PeJP NA NA +PJ032947 GGGTCKKK C31H59N11O10S 777.4168 NA PeJP NA NA +PJ032948 GPKKYW C39H55N9O8 777.4174 NA PeJP NA NA +PJ032949 SVKKMW C36H59N9O8S 777.4208 NA PeJP NA NA +PJ032950 STTTLQK C32H59N9O13 777.4232 NA PeJP NA NA +PJ032951 SSSLKKE C32H59N9O13 777.4233 NA PeJP NA NA +2663 synthetic fr, of human beta-CN (137-143) ACE inhibitor QVPQPIP 777.424 NA Inhouse_peptide NA peptide +PJ032952 LQKKMM C33H63N9O8S2 777.4241 NA PeJP NA NA +PJ032953 GVQRRY C33H55N13O9 777.4246 NA PeJP NA NA +PJ032954 LLLQEY C37H59N7O11 777.4273 NA PeJP NA NA +PJ032955 STKMRR C30H59N13O9S 777.428 NA PeJP NA NA +PJ032956 AAKFRW C38H55N11O7 777.4286 NA PeJP NA NA +PJ032957 STTLLLM C34H63N7O11S 777.4306 NA PeJP NA NA +PJ032958 VTTTLLM C34H63N7O11S 777.4307 NA PeJP NA NA +PJ032959 PCKKFR C35H59N11O7S 777.432 NA PeJP NA NA +PJ032960 SSSTLKR C31H59N11O12 777.4345 NA PeJP NA NA +PJ032961 CLKKMR C32H63N11O7S2 777.4354 NA PeJP NA NA +PJ032962 QRRRY C32H55N15O8 777.4358 NA PeJP NA NA +PJ032963 GGPVHRR C32H55N15O8 777.4359 NA PeJP NA NA +PJ032964 VVLERY C36H59N9O10 777.4385 NA PeJP NA NA +PJ032965 GTTLKKM C33H63N9O10S 777.4419 NA PeJP NA NA +PJ032966 ALLLYW C41H59N7O8 777.4425 NA PeJP NA NA +PJ032967 GPVVLFF C41H59N7O8 777.4426 NA PeJP NA NA +PJ032968 AALLLMF C38H63N7O8S 777.4459 NA PeJP NA NA +PJ032969 GPHRRR C31H55N17O7 777.4471 NA PeJP NA NA +PJ032970 SLQKFR C35H59N11O9 777.4497 NA PeJP NA NA +PJ032971 SPKKRY C35H59N11O9 777.4498 NA PeJP NA NA +PJ032972 GSCKKKK C32H63N11O9S 777.4531 NA PeJP NA NA +PJ032973 GLKKFW C40H59N9O7 777.4538 NA PeJP NA NA +PJ032974 VLLMFR C37H63N9O7S 777.4572 NA PeJP NA NA +HMDB12351 PS(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C42H68NO10P 777.458069 NA HMDB2010 NA NA +HMDB12441 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) C42H68NO10P 777.458069 NA HMDB2010 NA NA +PJ032975 STTTLKK C33H63N9O12 777.4596 NA PeJP NA NA +PJ032976 LKKKMM C34H67N9O7S2 777.4605 NA PeJP NA NA +PJ032977 GVKRRY C34H59N13O8 777.461 NA PeJP NA NA +PJ032978 LLLKEY C38H63N7O10 777.4637 NA PeJP NA NA +MJ094066 Antibiotic FR 900523 C42H67NO12 777.466326 NA MeJP NA NA +PJ032979 KRRRY C33H59N15O7 777.4722 NA PeJP NA NA +PJ032980 TLLLRY C37H63N9O9 777.4749 NA PeJP NA NA +PJ032981 ALKKRY C36H63N11O8 777.4861 NA PeJP NA NA +MJ094067 Erythromycin; 14S-(1S-Hydroxyethyl) C39H71NO14 777.487455 NA MeJP NA NA +PJ032982 PLKKHR C35H63N13O7 777.4974 NA PeJP NA NA +MJ094068 Ascomycin; 9-Deoxo C43H71NO11 777.502712 NA MeJP NA NA +PJ032983 VLKKKY C38H67N9O8 777.5113 NA PeJP NA NA +EUR950 PC 34:3 [M+Na]+ C42H78NO8P 777.528453 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR950 PC 34:3 [M+Na]+ C42H78NO8P 777.528453 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR950 PC 34:3 [M+Na]+ C42H78NO8P 777.528453 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR950 PC 34:3 [M+Na]+ C42H78NO8P 777.528453 masses lipides attendues Inhousejuil11 NA NA +HMDB07892 PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C44H76NO8P 777.530884 NA HMDB2010 NA NA +HMDB07923 PC(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C44H76NO8P 777.530884 NA HMDB2010 NA NA +HMDB07924 PC(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C44H76NO8P 777.530884 NA HMDB2010 NA NA +HMDB08017 PC(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C44H76NO8P 777.530884 NA HMDB2010 NA NA +HMDB08142 PC(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) C44H76NO8P 777.530884 NA HMDB2010 NA NA +HMDB08172 PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) C44H76NO8P 777.530884 NA HMDB2010 NA NA +HMDB08173 PC(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) C44H76NO8P 777.530884 NA HMDB2010 NA NA +HMDB08205 PC(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) C44H76NO8P 777.530884 NA HMDB2010 NA NA +HMDB08206 PC(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) C44H76NO8P 777.530884 NA HMDB2010 NA NA +HMDB08237 PC(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)) C44H76NO8P 777.530884 NA HMDB2010 NA NA +HMDB08496 PC(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)) C44H76NO8P 777.530884 NA HMDB2010 NA NA +HMDB08657 PC(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)) C44H76NO8P 777.530884 NA HMDB2010 NA NA +HMDB08690 PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) C44H76NO8P 777.530884 NA HMDB2010 NA NA +HMDB08722 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0) C44H76NO8P 777.530884 NA HMDB2010 NA NA +PJ032984 PPLLLLL C40H71N7O8 777.5364 NA PeJP NA NA +EUR932 PC 32:1 [M+FA-H]- C40H78NO8P 777.551387 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR932 PC 32:1 [M+FA-H]- C40H78NO8P 777.551387 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR932 PC 32:1 [M+FA-H]- C40H78NO8P 777.551387 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR932 PC 32:1 [M+FA-H]- C40H78NO8P 777.551387 masses lipides attendues Inhousejuil11 NA NA +HMDB09611 PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z)) C45H80NO7P 777.567261 NA HMDB2010 NA NA +HMDB09612 PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z)) C45H80NO7P 777.567261 NA HMDB2010 NA NA +HMDB09643 PE(22:5(4Z,7Z,10Z,13Z,16Z)/dm18:0) C45H80NO7P 777.567261 NA HMDB2010 NA NA +HMDB09676 PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:0) C45H80NO7P 777.567261 NA HMDB2010 NA NA +HMDB11392 PE(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) C45H80NO7P 777.567261 NA HMDB2010 NA NA +HMDB11393 PE(P-18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C45H80NO7P 777.567261 NA HMDB2010 NA NA +HMDB11424 PE(P-18:1(11Z)/22:4(7Z,10Z,13Z,16Z)) C45H80NO7P 777.567261 NA HMDB2010 NA NA +HMDB11457 PE(P-18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C45H80NO7P 777.567261 NA HMDB2010 NA NA +EUR1077 SM(d18:1/18:0) [M+FA-H]- C41H84N2O6P 777.611581 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1077 SM(d18:1/18:0) [M+FA-H]- C41H84N2O6P 777.611581 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1077 SM(d18:1/18:0) [M+FA-H]- C41H84N2O6P 777.611581 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1077 SM(d18:1/18:0) [M+FA-H]- C41H84N2O6P 777.611581 masses lipides attendues Inhousejuil11 NA NA +2592 tenecin-1 (16-32) NDAACAAHCLFRGRSGGG 777.8729 MH2+ Inhouse_peptide NA peptide +MJ094069 Pentafuhalol A; 4''''-O-(3,4,5-Trihydroxyphenyl) C36H26O20 778.101743 NA MeJP NA NA +MJ094070 Pentafuhalol B; 1-O-(2,4,6-Trihydroxyphenyl) C36H26O20 778.101743 NA MeJP NA NA +MJ094071 6'',8'-Bisdiosquinone C44H26O14 778.132255 NA MeJP NA NA +PJ032985 CCCCCNM C24H42N8O9S6 778.1399 NA PeJP NA NA +PJ032986 GSTCCCCC C24H42N8O11S5 778.1577 NA PeJP NA NA +PJ032987 SSSSCCCC C24H42N8O13S4 778.1754 NA PeJP NA NA +PJ032988 GCCCCQY C28H42N8O10S4 778.1907 NA PeJP NA NA +PJ032989 PCCCCNH C27H42N10O9S4 778.2019 NA PeJP NA NA +PJ032990 GGPCCCCH C27H42N10O9S4 778.202 NA PeJP NA NA +PJ032991 SSCCCNY C28H42N8O12S3 778.2085 NA PeJP NA NA +MJ094072 KS 506a C40H42O12S2 778.211768 NA MeJP NA NA +PJ032992 CCEMMY C30H46N6O10S4 778.2158 NA PeJP NA NA +PJ032993 GCCNDMH C27H42N10O11S3 778.2197 NA PeJP NA NA +PJ032994 GNDDDDE C27H38N8O19 778.2254 NA PeJP NA NA +PJ032995 GCCCCKY C29H46N8O9S4 778.2271 NA PeJP NA NA +PJ032996 CCDEFY C33H42N6O12S2 778.2302 NA PeJP NA NA +MJ094073 Plumieride; 13-O-[?-D-Glucopyranosyl-(1?4)-4-hydroxycinnamoyl] C36H42O19 778.232029 NA MeJP NA NA +MJ094074 Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 2,6-di-Ac C36H42O19 778.232029 NA MeJP NA NA +MJ094075 Sucrose; 3',6-Bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 4,4'-di-Ac C36H42O19 778.232029 NA MeJP NA NA +PJ032997 CCCQHW C31H42N10O8S3 778.235 NA PeJP NA NA +PJ032998 SSCCNEH C27H42N10O13S2 778.2375 NA PeJP NA NA +PJ032999 NDDDDW C31H38N8O16 778.2406 NA PeJP NA NA +PJ033000 CCNNYY C32H42N8O11S2 778.2415 NA PeJP NA NA +PJ033001 SPCNDDE C28H42N8O16S 778.244 NA PeJP NA NA +PJ033002 CEEMMH C29H46N8O11S3 778.2448 NA PeJP NA NA +PJ033003 DDMMMH C29H46N8O11S3 778.2449 NA PeJP NA NA +MJ094076 Hemsleyanoside A C40H42O16 778.247285 NA MeJP NA NA +MJ094077 Hemsleyanoside B C40H42O16 778.247285 NA MeJP NA NA +MJ094078 Pallidol; 3,3''-Di-O-?-D-glucopyranoside C40H42O16 778.247285 NA MeJP NA NA +MJ094079 ?-Viniferin, (Z)-Isomer, 3',5'-di-O-?-D-glucopyranoside C40H42O16 778.247285 NA MeJP NA NA +MJ094080 ?-Viniferin, 3',5'-Di-O-?-D-glucopyranoside C40H42O16 778.247285 NA MeJP NA NA +PJ033004 SCDEYY C33H42N6O14S 778.248 NA PeJP NA NA +PJ033005 PCCMYY C34H46N6O9S3 778.2489 NA PeJP NA NA +MJ094081 Antibiotic BMY 46164 C40H43ClN2O12 778.250452 NA MeJP NA NA +PJ033006 DEEEEE C29H42N6O19 778.2505 NA PeJP NA NA +PJ033007 TCMMMY C31H50N6O9S4 778.2522 NA PeJP NA NA +PJ033008 GSSCCHW C31H42N10O10S2 778.2527 NA PeJP NA NA +PJ033009 GSSSSCDH C27H42N10O15S 778.2552 NA PeJP NA NA +PJ033010 GSCNMMH C28H46N10O10S3 778.2561 NA PeJP NA NA +PJ033011 GSPCDDW C32H42N8O13S 778.2592 NA PeJP NA NA +PJ033012 APPCCCW C33H46N8O8S3 778.2601 NA PeJP NA NA +PJ033013 GSNDEEE C28H42N8O18 778.2617 NA PeJP NA NA +PJ033014 GGGSDEEE C28H42N8O18 778.2618 NA PeJP NA NA +PJ033015 GPNDDMM C29H46N8O13S2 778.2626 NA PeJP NA NA +PJ033016 CDMHHH C30H42N12O9S2 778.264 NA PeJP NA NA +PJ033017 SCNNNNN C26H42N12O14S 778.2664 NA PeJP NA NA +PJ033018 GGGGSCNNN C26H42N12O14S 778.2665 NA PeJP NA NA +PJ033019 GDMMYY C34H46N6O11S2 778.2666 NA PeJP NA NA +PJ033020 GTCCCHR C27H46N12O9S3 778.2673 NA PeJP NA NA +PJ033021 CNNNEW C31H42N10O12S 778.2705 NA PeJP NA NA +PJ033022 CCCKHW C32H46N10O7S3 778.2713 NA PeJP NA NA +PJ033023 GSDDDDR C27H42N10O17 778.273 NA PeJP NA NA +PJ033024 GPCCDER C28H46N10O12S2 778.2738 NA PeJP NA NA +PJ033025 GGGGSPCNM C28H46N10O12S2 778.2739 NA PeJP NA NA +PJ033026 SNDEEW C32H42N8O15 778.277 NA PeJP NA NA +PJ033027 PCNEMW C33H46N8O10S2 778.2779 NA PeJP NA NA +PJ033028 NQEEEM C29H46N8O15S 778.2804 NA PeJP NA NA +PJ033029 GDDFYY C37H42N6O13 778.281 NA PeJP NA NA +PJ033030 TEMMMH C30H50N8O10S3 778.2812 NA PeJP NA NA +PJ033031 GPCNDHH C30H42N12O11S 778.2817 NA PeJP NA NA +PJ033032 PCCFFY C38H46N6O8S2 778.2819 NA PeJP NA NA +PJ033033 SSEMYY C34H46N6O13S 778.2844 NA PeJP NA NA +PJ033034 SSSCCHR C27H46N12O11S2 778.2851 NA PeJP NA NA +PJ033035 GMMMFY C35H50N6O8S3 778.2853 NA PeJP NA NA +PJ033036 GCNNWW C35H42N10O9S 778.2857 NA PeJP NA NA +PJ033037 GSSNNDW C31H42N10O14 778.2882 NA PeJP NA NA +PJ033038 PCCDRW C32H46N10O9S2 778.2891 NA PeJP NA NA +PJ033039 NDDEMR C28H46N10O14S 778.2916 NA PeJP NA NA +PJ033040 GSDEWW C36H42N8O12 778.2923 NA PeJP NA NA +PJ033041 PPTCCCR C29H50N10O9S3 778.2925 NA PeJP NA NA +PJ033042 GPCMWW C37H46N8O7S2 778.2931 NA PeJP NA NA +PJ033043 GQEEMW C33H46N8O12S 778.2956 NA PeJP NA NA +PJ033044 GSTQEEE C29H46N8O17 778.2981 NA PeJP NA NA +PJ033045 GSPQEMM C30H50N8O12S2 778.299 NA PeJP NA NA +PJ033046 NNEEHH C30H42N12O13 778.2995 NA PeJP NA NA +PJ033047 APCYYY C38H46N6O10S 778.2996 NA PeJP NA NA +PJ033048 VMMMMH C31H54N8O7S4 778.2999 NA PeJP NA NA +PJ033049 CCNHFR C31H46N12O8S2 778.3003 NA PeJP NA NA +PJ033050 PEEEEF C34H46N6O15 778.3022 NA PeJP NA NA +PJ033051 CDDDRR C27H46N12O13S 778.3028 NA PeJP NA NA +PJ033052 GGGGGTCDR C27H46N12O13S 778.3029 NA PeJP NA NA +PJ033053 ATMMYY C35H50N6O10S2 778.303 NA PeJP NA NA +MJ094082 Azadirachtin; O1-Detigloyl, O1-(4-methylpentanoyl), O3-de-Ac, O3-(2,3-epoxy-2-methylpropanoyl) C38H50O17 778.3048 NA MeJP NA NA +PJ033054 LEEEEM C31H50N6O15S 778.3055 NA PeJP NA NA +PJ033055 SNNQMW C32H46N10O11S 778.3068 NA PeJP NA NA +PJ033056 GDDMRW C32H46N10O11S 778.3069 NA PeJP NA NA +PJ033057 SDWWW C40H42N8O9 778.3075 NA PeJP NA NA +PJ033058 SSSSSSTH C28H46N10O16 778.3093 NA PeJP NA NA +PJ033059 GSSDEER C28H46N10O16 778.3094 NA PeJP NA NA +PJ033060 GSPCEMR C29H50N10O11S2 778.3102 NA PeJP NA NA +PJ033061 GGGGGGGVMM C29H50N10O11S2 778.3103 NA PeJP NA NA +PJ033062 GSNNNHH C29H42N14O12 778.3107 NA PeJP NA NA +PJ033063 QEMWW C37H46N8O9S 778.3109 NA PeJP NA NA +PJ033064 STQEEW C33H46N8O14 778.3134 NA PeJP NA NA +PJ033065 SPQMMW C34H50N8O9S2 778.3142 NA PeJP NA NA +PJ033066 PCDKMW C34H50N8O9S2 778.3143 NA PeJP NA NA +PJ033067 GNEHHW C34H42N12O10 778.3147 NA PeJP NA NA +PJ033068 SSPTQEM C30H50N8O14S 778.3167 NA PeJP NA NA +PJ033069 NKEEEM C30H50N8O14S 778.3168 NA PeJP NA NA +PJ033070 AAEYYY C38H46N6O12 778.3174 NA PeJP NA NA +PJ033071 AAPQMMM C31H54N8O9S3 778.3176 NA PeJP NA NA +PJ033072 SCNNRW C31H46N12O10S 778.3181 NA PeJP NA NA +PJ033073 GMMFFF C39H50N6O7S2 778.3183 NA PeJP NA NA +PJ033074 SSSNNDR C27H46N12O15 778.3206 NA PeJP NA NA +PJ033075 TTTMYY C35H50N6O12S 778.3208 NA PeJP NA NA +MJ094083 Polyervinine C43H46N4O10 778.321393 NA MeJP NA NA +PJ033076 NNNMMR C28H50N12O10S2 778.3215 NA PeJP NA NA +PJ033077 CERWW C36H46N10O8S 778.3221 NA PeJP NA NA +PJ033078 SSDERW C32H46N10O13 778.3246 NA PeJP NA NA +PJ033079 SPCMRW C33H50N10O8S2 778.3255 NA PeJP NA NA +PJ033080 PDHHHH C33H42N14O9 778.326 NA PeJP NA NA +PJ033081 AMWWW C41H46N8O6S 778.3261 NA PeJP NA NA +PJ033082 SQEEMR C29H50N10O13S 778.328 NA PeJP NA NA +PJ033083 GTTEWW C37H46N8O11 778.3286 NA PeJP NA NA +PJ033084 PNMMMR C30H54N10O8S3 778.3289 NA PeJP NA NA +PJ033085 NHHWW C38H42N12O7 778.33 NA PeJP NA NA +PJ033086 GKEEMW C34H50N8O11S 778.332 NA PeJP NA NA +PJ033087 TFYYW C42H46N6O9 778.3326 NA PeJP NA NA +PJ033088 CCNQRR C27H50N14O9S2 778.3327 NA PeJP NA NA +PJ033089 AMHHHF C35H46N12O7S 778.3334 NA PeJP NA NA +PJ033090 GSTKEEE C30H50N8O16 778.3345 NA PeJP NA NA +PJ033091 GSPKEMM C31H54N8O11S2 778.3354 NA PeJP NA NA +PJ033092 NNNDFR C31H46N12O12 778.3358 NA PeJP NA NA +PJ033093 GGGGNDFR C31H46N12O12 778.3359 NA PeJP NA NA +PJ033094 GVMFYY C39H50N6O9S 778.336 NA PeJP NA NA +PJ033095 PLEEEY C35H50N6O14 778.3385 NA PeJP NA NA +PJ033096 SDDMRR C28H50N12O12S 778.3392 NA PeJP NA NA +PJ033097 GNQQFW C36H46N10O10 778.3399 NA PeJP NA NA +MJ094084 Hispidin A; 15-Deacyl, 15-propanoyl C39H54O16 778.341185 NA MeJP NA NA +MJ094085 Trichilia substance Tr C; 7-Et ester analogue C39H54O16 778.341185 NA MeJP NA NA +PJ033098 GTEMRW C33H50N10O10S 778.3432 NA PeJP NA NA +PJ033099 GGGGSKMW C33H50N10O10S 778.3433 NA PeJP NA NA +PJ033100 TTWWW C41H46N8O8 778.3439 NA PeJP NA NA +PJ033101 GSTTEER C29H50N10O15 778.3457 NA PeJP NA NA +PJ033102 GGGGSTTDK C29H50N10O15 778.3458 NA PeJP NA NA +C16564 Bis(glutathionyl)spermine disulfide C30H54N10O10S2 778.3466 NA KEGG NA NA +PJ033103 VNEMMR C30H54N10O10S2 778.3466 NA PeJP NA NA +PJ033104 SNEHHR C30H46N14O11 778.3471 NA PeJP NA NA +PJ033105 MFRYY C38H50N8O8S 778.3472 NA PeJP NA NA +PJ033106 KEMWW C38H50N8O8S 778.3473 NA PeJP NA NA +PJ033107 SSPTTTW C34H50N8O13 778.3497 NA PeJP NA NA +PJ033108 STKEEW C34H50N8O13 778.3498 NA PeJP NA NA +PJ033109 GSSCNRR C27H50N14O11S 778.3505 NA PeJP NA NA +PJ033110 SPKMMW C35H54N8O8S2 778.3506 NA PeJP NA NA +PJ033111 GDKHHW C35H46N12O9 778.3511 NA PeJP NA NA +PJ033112 DKKEEM C31H54N8O13S 778.3531 NA PeJP NA NA +PJ033113 GTLYYY C39H50N6O11 778.3538 NA PeJP NA NA +PJ033114 AAPKMMM C32H58N8O8S3 778.354 NA PeJP NA NA +PJ033115 VQQMHH C32H50N12O9S 778.3545 NA PeJP NA NA +PJ033116 GPPHWW C40H46N10O7 778.3551 NA PeJP NA NA +PJ033117 SSSSQQR C28H50N12O14 778.357 NA PeJP NA NA +MJ094086 Conophylline; 14',15'-Deepoxy, 14',15'-didehydro C44H50N4O9 778.357779 NA MeJP NA NA +PJ033118 CNQKMR C29H54N12O9S2 778.3578 NA PeJP NA NA +PJ033119 GEMMRR C29H54N12O9S2 778.3579 NA PeJP NA NA +PJ033120 TMRWW C37H50N10O7S 778.3585 NA PeJP NA NA +PJ033121 STTERW C33H50N10O12 778.361 NA PeJP NA NA +PJ033122 GVMMRW C34H54N10O7S2 778.3619 NA PeJP NA NA +PJ033123 GSHHRW C34H46N14O8 778.3623 NA PeJP NA NA +PJ033124 SKEEMR C30H54N10O12S 778.3644 NA PeJP NA NA +PJ033125 SSTLWW C38H50N8O10 778.365 NA PeJP NA NA +PJ033126 AQMHHR C31H50N14O8S 778.3657 NA PeJP NA NA +MJ094087 Disorazole B1; 9,10,9',10'-Tetrol C42H54N2O12 778.367675 NA MeJP NA NA +PJ033127 SVKEMW C35H54N8O10S 778.3684 NA PeJP NA NA +PJ033128 GVFFFY C43H50N6O8 778.369 NA PeJP NA NA +PJ033129 CCNKRR C28H54N14O8S2 778.3691 NA PeJP NA NA +PJ033130 SSSLKEE C31H54N8O15 778.3709 NA PeJP NA NA +PJ033131 LQKEMM C32H58N8O10S2 778.3718 NA PeJP NA NA +PJ033132 GQQQRY C32H50N12O11 778.3722 NA PeJP NA NA +PJ033133 GGGGGGVRY C32H50N12O11 778.3723 NA PeJP NA NA +PJ033134 MMRRW C33H54N12O6S2 778.3731 NA PeJP NA NA +PJ033135 LLEEEF C36H54N6O13 778.3749 NA PeJP NA NA +PJ033136 STEMRR C29H54N12O11S 778.3756 NA PeJP NA NA +PJ033137 SSPFRW C37H50N10O9 778.3762 NA PeJP NA NA +PJ033138 GPTRYW C37H50N10O9 778.3763 NA PeJP NA NA +PJ033139 ACHHRR C30H50N16O7S 778.377 NA PeJP NA NA +MJ094088 3,12-Dihydroxy-20,22-bufadienolide, 3-O-[?-D-Glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 12-Ac C40H58O15 778.377571 NA MeJP NA NA +MJ094089 Stauntogenin; 3-O-[?-L-Cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C40H58O15 778.377571 NA MeJP NA NA +PJ033140 SSLMRW C34H54N10O9S 778.3796 NA PeJP NA NA +PJ033141 PKYWW C42H50N8O7 778.3803 NA PeJP NA NA +PJ033142 SSSTLER C30H54N10O14 778.3821 NA PeJP NA NA +PJ033143 VDKMMR C31H58N10O9S2 778.383 NA PeJP NA NA +PJ033144 GNNRRY C31H50N14O10 778.3835 NA PeJP NA NA +PJ033145 APKMFW C39H54N8O7S 778.3837 NA PeJP NA NA +PJ033146 SSSSLLW C35H54N8O12 778.3861 NA PeJP NA NA +PJ033147 GGGALLEY C35H54N8O12 778.3862 NA PeJP NA NA +PJ033148 ALKMMW C36H58N8O7S2 778.387 NA PeJP NA NA +PJ033149 DFRRW C36H50N12O8 778.3875 NA PeJP NA NA +7675 ACE inhibitor from b-CN (46-59), mouse KVHSSIQSQPQAFT 778.389 MH2+ Inhouse_peptide NA peptide +PJ033150 GTTLKEM C32H58N8O12S 778.3895 NA PeJP NA NA +PJ033151 GPMRRY C33H54N12O8S 778.3909 NA PeJP NA NA +MJ094090 Clibadiolide C44H58O12 778.392827 NA MeJP NA NA +PJ033152 SSSSQKR C29H54N12O13 778.3933 NA PeJP NA NA +PJ033153 GGSSSTKR C29H54N12O13 778.3934 NA PeJP NA NA +MJ094091 Vinorelbine C45H54N4O8 778.394164 NA MeJP NA NA +PJ033154 SVMMRR C30H58N12O8S2 778.3942 NA PeJP NA NA +PJ033155 SSHHRR C30H50N16O9 778.3947 NA PeJP NA NA +PJ033156 GSSSKKW C34H54N10O11 778.3974 NA PeJP NA NA +PJ033157 VLHHHH C35H50N14O7 778.3987 NA PeJP NA NA +PJ033158 GTTTLMR C31H58N10O11S 778.4007 NA PeJP NA NA +PJ033159 VVTTTCR C31H58N10O11S 778.4008 NA PeJP NA NA +PJ033160 SPVKYW C39H54N8O9 778.4014 NA PeJP NA NA +PJ033161 AKMHHR C32H54N14O7S 778.4021 NA PeJP NA NA +PJ033162 TTLKMW C36H58N8O9S 778.4048 NA PeJP NA NA +PJ033163 STTTLKE C32H58N8O14 778.4073 NA PeJP NA NA +PJ033164 ASVLKMM C33H62N8O9S2 778.4081 NA PeJP NA NA +PJ033165 LKKEMM C33H62N8O9S2 778.4082 NA PeJP NA NA +PJ033166 GVERRY C33H54N12O10 778.4086 NA PeJP NA NA +PJ033167 LLLEEY C37H58N6O12 778.4113 NA PeJP NA NA +PJ033168 GSTCKKR C30H58N12O10S 778.412 NA PeJP NA NA +PJ033169 AALRYW C38H54N10O8 778.4126 NA PeJP NA NA +PJ033170 GGGKKFW C38H54N10O8 778.4127 NA PeJP NA NA +MJ094092 3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucuronopyranoside] C41H62O14 778.413956 NA MeJP NA NA +MJ094093 3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucuronopyranoside] C41H62O14 778.413956 NA MeJP NA NA +MJ094094 3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester C41H62O14 778.413956 NA MeJP NA NA +MJ094095 Glaucogenin C; 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] C41H62O14 778.413956 NA MeJP NA NA +MJ094096 Glaucogenin C; 3-O-[?-L-Cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] C41H62O14 778.413956 NA MeJP NA NA +MJ094097 Glaucogenin C; 3-O-[?-L-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] C41H62O14 778.413956 NA MeJP NA NA +MJ094098 Pfaffic acid; 3-O-?-Glucuronopyranoside, 28-?-D-glucopyranosyl ester C41H62O14 778.413956 NA MeJP NA NA +PJ033171 SCKKKW C35H58N10O8S 778.416 NA PeJP NA NA +PJ033172 LKFWW C43H54N8O6 778.4167 NA PeJP NA NA +PJ033173 STTTTLR C31H58N10O13 778.4185 NA PeJP NA NA +PJ033174 TLKMMR C32H62N10O8S2 778.4194 NA PeJP NA NA +PJ033175 ERRRY C32H54N14O9 778.4199 NA PeJP NA NA +PJ033176 VLQKEY C36H58N8O11 778.4225 NA PeJP NA NA +PJ033177 GGPPPLLE C36H58N8O11 778.4226 NA PeJP NA NA +PJ033178 VRRYW C37H54N12O7 778.4239 NA PeJP NA NA +PJ033179 SSTLLKM C33H62N8O11S 778.4259 NA PeJP NA NA +PJ033180 GLMFRR C34H58N12O7S 778.4273 NA PeJP NA NA +PJ033181 SSSSKKR C30H58N12O12 778.4297 NA PeJP NA NA +PJ033182 ALKERY C35H58N10O10 778.4338 NA PeJP NA NA +PJ033183 GSTKKKM C32H62N10O10S 778.4371 NA PeJP NA NA +MJ094099 Heterophyllin B C40H58N8O8 778.43776 NA MeJP NA NA +PJ033184 GLLKYW C40H58N8O8 778.4378 NA PeJP NA NA +MJ094100 Factumycin C44H62N2O10 778.440446 NA MeJP NA NA +PJ033185 PLKKMY C37H62N8O8S 778.4412 NA PeJP NA NA +PJ033186 ATLRRY C34H58N12O9 778.445 NA PeJP NA NA +PJ033187 PVLKHW C39H58N10O7 778.449 NA PeJP NA NA +MJ094101 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-O-[?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C42H66O13 778.450342 NA MeJP NA NA +MJ094102 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] C42H66O13 778.450342 NA MeJP NA NA +MJ094103 3-Hydroxy-12-oleanene-28,29-dioic acid, 3-O-?-L-Rhamnopyranoside, 29-O-?-D-xylopyranosyl ester, 28-Me ester C42H66O13 778.450342 NA MeJP NA NA +MJ094104 Frondogenin; 3-O-[?-D-Xylopyranosyl-(1?4)-xylopyranoside] C42H66O13 778.450342 NA MeJP NA NA +MJ094105 Gouanogenin A; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C42H66O13 778.450342 NA MeJP NA NA +MJ094106 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Arabinofuranosyl-(1?4)-?-D-glucuronopyranoside], 6'-Me ester C42H66O13 778.450342 NA MeJP NA NA +MJ094107 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-6-O-methyl-?-D-glucuronopyranoside] C42H66O13 778.450342 NA MeJP NA NA +MJ094108 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside] C42H66O13 778.450342 NA MeJP NA NA +MJ094109 Pouoside C; 8-Acetoxy C42H66O13 778.450342 NA MeJP NA NA +PJ033188 VVKMFR C36H62N10O7S 778.4524 NA PeJP NA NA +PJ033189 SSTTKKK C32H62N10O12 778.4549 NA PeJP NA NA +PJ033190 PTLHRR C33H58N14O8 778.4562 NA PeJP NA NA +PJ033191 GGPKKHR C33H58N14O8 778.4563 NA PeJP NA NA +PJ033192 VLKKEY C37H62N8O10 778.4589 NA PeJP NA NA +PJ033193 VNKKKY C36H62N10O9 778.4701 NA PeJP NA NA +PJ033194 SLLKRY C36H62N10O9 778.4702 NA PeJP NA NA +PJ033195 PLKKFF C41H62N8O7 778.4742 NA PeJP NA NA +PJ033196 LLKKMF C38H66N8O7S 778.4775 NA PeJP NA NA +PJ033197 GKKKRY C35H62N12O8 778.4814 NA PeJP NA NA +MJ094110 Macrotetrolide G C43H70O12 778.486727 NA MeJP NA NA +MJ094111 Trinactin C43H70O12 778.486727 NA MeJP NA NA +PJ033198 VVLHRR C34H62N14O7 778.4926 NA PeJP NA NA +PJ033199 PPVLLLQ C38H66N8O9 778.4953 NA PeJP NA NA +PJ033200 APPLLLR C37H66N10O8 778.5065 NA PeJP NA NA +PJ033201 VVVVVKH C37H66N10O8 778.5066 NA PeJP NA NA +PJ033202 LLLKHR C36H66N12O7 778.5178 NA PeJP NA NA +MJ094112 Narasin D C44H74O11 778.523113 NA MeJP NA NA +MJ094113 Oligomycin SC II C44H74O11 778.523113 NA MeJP NA NA +PJ033203 PPVLLLK C39H70N8O8 778.5317 NA PeJP NA NA +MetaCyc04132 1-18:3-2-18:3-sn-glycerol-phosphocholine [] C44H77N1O8P1 778.53868 NA metacyc NA NA +MJ094114 1,2-Di-O-acylglycerols; Glycerol 1,2-di-(9Z,12Z-octadecadienoate), 3-O-?-D-Galactopyranoside C45H78O10 778.559498 NA MeJP NA NA +HMDB10602 PG(18:0/18:0) C42H83O10P 778.572388 NA HMDB2010 NA NA +EUR1095 SM(d18:1/20:1) [M+Na]+ C43H85N2O6P 778.596472 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1095 SM(d18:1/20:1) [M+Na]+ C43H85N2O6P 778.596472 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1095 SM(d18:1/20:1) [M+Na]+ C43H85N2O6P 778.596472 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1095 SM(d18:1/20:1) [M+Na]+ C43H85N2O6P 778.596472 masses lipides attendues Inhousejuil11 NA NA +MetaCyc04133 decaprenol phosphate [] C50H83O4P1 778.602898 NA metacyc NA NA +C02970 Decaprenol phosphate C50H83O4P 778.6029 NA KEGG NA NA +C02972 Dihydrolipoylprotein C8H16NOS2R 778.6029 NA KEGG NA NA +EUR1047 SM(d18:0/18:0) [M+FA-H]- C41H85N2O6P 778.619406 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1047 SM(d18:0/18:0) [M+FA-H]- C41H85N2O6P 778.619406 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1047 SM(d18:0/18:0) [M+FA-H]- C41H85N2O6P 778.619406 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1047 SM(d18:0/18:0) [M+FA-H]- C41H85N2O6P 778.619406 masses lipides attendues Inhousejuil11 NA NA +MJ094115 20(29)-Lupen-3-ol, 3-Acetoxyeicosanoyl C52H90O4 778.683911 NA MeJP NA NA +C13869 1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol C49H94O6 778.705 NA KEGG NA NA +HMDB10411 TG(16:0/14:0/16:0)[iso3] C49H94O6 778.705017 NA HMDB2010 NA NA +3188 cystatin S (61-73) VNYFFDVEVGRTI 778.8839 MH2+ Inhouse_peptide NA peptide +PJ033204 CCCCCDM C24H41N7O10S6 779.124 NA PeJP NA NA +PJ033205 SCCCCMM C25H45N7O9S6 779.1603 NA PeJP NA NA +PJ033206 GCCCCEY C28H41N7O11S4 779.1747 NA PeJP NA NA +PJ033207 PCCCCDH C27H41N9O10S4 779.186 NA PeJP NA NA +PJ033208 CCCCYW C32H41N7O8S4 779.19 NA PeJP NA NA +PJ033209 SSCCCDY C28H41N7O13S3 779.1925 NA PeJP NA NA +PJ033210 ACCCCMF C29H45N7O8S5 779.1933 NA PeJP NA NA +PJ033211 VCCCCCF C29H45N7O8S5 779.1934 NA PeJP NA NA +MJ094116 Rubradirin B; 3''-Deoxy C40H33N3O14 779.196252 NA MeJP NA NA +PJ033212 GCCDDMH C27H41N9O12S3 779.2037 NA PeJP NA NA +PJ033213 GDDDDDE C27H37N7O20 779.2094 NA PeJP NA NA +PJ033214 GTCCCMY C29H45N7O10S4 779.2111 NA PeJP NA NA +PJ033215 SCCCNNH C26H41N11O11S3 779.2149 NA PeJP NA NA +PJ033216 GGSCCCNH C26H41N11O11S3 779.215 NA PeJP NA NA +PJ033217 CCCEHW C31H41N9O9S3 779.219 NA PeJP NA NA +PJ033218 SSCCDEH C27H41N9O14S2 779.2215 NA PeJP NA NA +PJ033219 SPCCCMH C28H45N9O9S4 779.2223 NA PeJP NA NA +PJ033220 DDDDDW C31H37N7O17 779.2246 NA PeJP NA NA +PJ033221 CCNDYY C32H41N7O12S2 779.2255 NA PeJP NA NA +PJ033222 SPCDDDE C28H41N7O17S 779.228 NA PeJP NA NA +PJ033223 SSSCCMY C29H45N7O12S3 779.2289 NA PeJP NA NA +PJ033224 GNNDDDM C27H41N9O16S 779.2392 NA PeJP NA NA +PJ033225 GGGGGDDDM C27H41N9O16S 779.2393 NA PeJP NA NA +PJ033226 GSCDMMH C28H45N9O11S3 779.2401 NA PeJP NA NA +PJ033227 CCNMFY C33H45N7O9S3 779.2441 NA PeJP NA NA +PJ033228 GSDDEEE C28H41N7O19 779.2458 NA PeJP NA NA +PJ033229 GPDDDMM C29H45N7O14S2 779.2466 NA PeJP NA NA +PJ033230 SCNNNND C26H41N11O15S 779.2505 NA PeJP NA NA +PJ033231 CNNDEW C31H41N9O13S 779.2545 NA PeJP NA NA +PJ033232 TCCMHW C32H45N9O8S3 779.2554 NA PeJP NA NA +PJ033233 SSNNDDE C27H41N9O18 779.257 NA PeJP NA NA +PJ033234 STTCCEH C28H45N9O13S2 779.2578 NA PeJP NA NA +PJ033235 SSSCEMH C28H45N9O13S2 779.2579 NA PeJP NA NA +PJ033236 CQMMMH C29H49N9O8S4 779.2587 NA PeJP NA NA +PJ033237 GSCCHHH C29H41N13O9S2 779.2592 NA PeJP NA NA +PJ033238 SDDEEW C32H41N7O16 779.261 NA PeJP NA NA +PJ033239 PCDEMW C33H45N7O11S2 779.2619 NA PeJP NA NA +MJ094117 Perdeacylwilfortrine; 1,6,8,9,14-Penta-Ac C36H45NO18 779.263663 NA MeJP NA NA +PJ033240 NEEEEM C29H45N7O16S 779.2644 NA PeJP NA NA +PJ033241 SPPCDMM C30H49N7O11S3 779.2652 NA PeJP NA NA +PJ033242 PPTCCEM C30H49N7O11S3 779.2653 NA PeJP NA NA +PJ033243 GPCDDHH C30H41N11O12S 779.2657 NA PeJP NA NA +PJ033244 GCNNNQM C27H45N11O12S2 779.2691 NA PeJP NA NA +HMDB06606 3-Sialyl-3-fucosyllactose C29H49NO23 779.26953 http://www.hmdb.ca/metabolites/HMDB06606 HMDB NA NA +HMDB06606 3-Sialyl-3-fucosyllactose C29H49NO23 779.26953 HMDB06606 PFEM_hmdb_metabocards_official NA NA +HMDB06606 3'-Sialyl-3-fucosyllactose C29H49NO23 779.269531 NA HMDB2010 NA NA +PJ033245 GCNDWW C35H41N9O10S 779.2697 NA PeJP NA NA +PJ033246 CCMMHR C28H49N11O7S4 779.27 NA PeJP NA NA +PJ033247 GSSNDDW C31H41N9O15 779.2722 NA PeJP NA NA +PJ033248 GGGSSDDW C31H41N9O15 779.2723 NA PeJP NA NA +PJ033249 GSPCCQW C32H45N9O10S2 779.2731 NA PeJP NA NA +PJ033250 DDDEMR C28H45N9O15S 779.2756 NA PeJP NA NA +PJ033251 GSSMMMH C29H49N9O10S3 779.2765 NA PeJP NA NA +PJ033252 CCNFFF C37H45N7O8S2 779.2771 NA PeJP NA NA +PJ033253 GEEEMW C33H45N7O13S 779.2796 NA PeJP NA NA +PJ033254 GCCNNNR C26H45N13O11S2 779.2803 NA PeJP NA NA +PJ033255 GGGGGGGCCR C26H45N13O11S2 779.2804 NA PeJP NA NA +PJ033256 GSTEEEE C29H45N7O18 779.2821 NA PeJP NA NA +PJ033257 GSPEEMM C30H49N7O13S2 779.283 NA PeJP NA NA +PJ033258 NDEEHH C30H41N11O14 779.2835 NA PeJP NA NA +PJ033259 APPCMMM C31H53N7O8S4 779.2839 NA PeJP NA NA +PJ033260 CCDHFR C31H45N11O9S2 779.2843 NA PeJP NA NA +PJ033261 ASCNDDR C27H45N11O14S 779.2868 NA PeJP NA NA +PJ033262 GSCNDER C27H45N11O14S 779.2869 NA PeJP NA NA +PJ033263 GPCCNMR C28H49N11O9S3 779.2877 NA PeJP NA NA +PJ033264 GCMHFW C36H45N9O7S2 779.2884 NA PeJP NA NA +PJ033265 SNNEMW C32H45N9O12S 779.2909 NA PeJP NA NA +PJ033266 SSSNQEE C28H45N9O17 779.2934 NA PeJP NA NA +PJ033267 SSSTMMH C29H49N9O12S2 779.2942 NA PeJP NA NA +PJ033268 GGGAQEMM C29H49N9O12S2 779.2943 NA PeJP NA NA +PJ033269 GSNNDHH C29H41N13O13 779.2947 NA PeJP NA NA +PJ033270 EEMWW C37H45N7O10S 779.2949 NA PeJP NA NA +PJ033271 CKMMMH C30H53N9O7S4 779.2951 NA PeJP NA NA +PJ033272 STEEEW C33H45N7O15 779.2974 NA PeJP NA NA +PJ033273 SPEMMW C34H49N7O10S2 779.2983 NA PeJP NA NA +PJ033274 GDEHHW C34H41N11O11 779.2987 NA PeJP NA NA +PJ033275 DKEEEM C30H49N7O15S 779.3008 NA PeJP NA NA +PJ033276 AAPEMMM C31H53N7O10S3 779.3016 NA PeJP NA NA +PJ033277 SCNDRW C31H45N11O11S 779.3021 NA PeJP NA NA +PJ033278 SSSNDDR C27H45N11O16 779.3046 NA PeJP NA NA +PJ033279 NNDMMR C28H49N11O11S2 779.3055 NA PeJP NA NA +MJ094118 Zelkovamycin C36H45N9O9S 779.306094 NA MeJP NA NA +PJ033280 GSNMWW C36H45N9O9S 779.3061 NA PeJP NA NA +PJ033281 GSSSQEW C32H45N9O14 779.3086 NA PeJP NA NA +PJ033282 GGGGGAEEF C32H45N9O14 779.3087 NA PeJP NA NA +PJ033283 GQQMMW C33H49N9O9S2 779.3095 NA PeJP NA NA +PJ033284 SEEEMR C29H49N9O14S 779.312 NA PeJP NA NA +PJ033285 GSQYYY C37H45N7O12 779.3126 NA PeJP NA NA +PJ033286 GPEEYW C37H45N7O12 779.3127 NA PeJP NA NA +PJ033287 PDMMMR C30H53N9O9S3 779.3129 NA PeJP NA NA +PJ033288 NNQMHH C30H45N13O10S 779.3133 NA PeJP NA NA +PJ033289 GGGGQMHH C30H45N13O10S 779.3134 NA PeJP NA NA +PJ033290 PPCMFW C38H49N7O7S2 779.3135 NA PeJP NA NA +PJ033291 DHHWW C38H41N11O8 779.314 NA PeJP NA NA +MJ094119 6(17),11-Jatrophadiene-2,3,5,7,8,9,14,15-octol, 9-(3-Pyridinecarbonyl), 3-benzoyl, 2,5,7,14-tetra-Ac C41H49NO14 779.315305 NA MeJP NA NA +PJ033292 SVEEMW C34H49N7O12S 779.316 NA PeJP NA NA +PJ033293 CCNERR C27H49N13O10S2 779.3167 NA PeJP NA NA +PJ033294 PCLMMW C35H53N7O7S3 779.3169 NA PeJP NA NA +PJ033295 PTCHHW C35H45N11O8S 779.3174 NA PeJP NA NA +PJ033296 SSSLEEE C30H49N7O17 779.3185 NA PeJP NA NA +PJ033297 LQEEMM C31H53N7O12S2 779.3194 NA PeJP NA NA +PJ033298 NNNQQY C31H45N11O13 779.3198 NA PeJP NA NA +PJ033299 GGNNQQY C31H45N11O13 779.3199 NA PeJP NA NA +PJ033300 GCQMRW C32H49N11O8S2 779.3207 NA PeJP NA NA +PJ033301 GSSNEMR C28H49N11O13S 779.3232 NA PeJP NA NA +PJ033302 GGGGGGSTCK C28H49N11O13S 779.3233 NA PeJP NA NA +PJ033303 SSSQWW C36H45N9O11 779.3239 NA PeJP NA NA +PJ033304 APCCCKR C29H53N11O8S3 779.3241 NA PeJP NA NA +PJ033305 CNNHHR C29H45N15O9S 779.3246 NA PeJP NA NA +PJ033306 SNDKMW C33H49N9O11S 779.3272 NA PeJP NA NA +PJ033307 GGSDKMW C33H49N9O11S 779.3273 NA PeJP NA NA +PJ033308 PEYWW C41H45N7O9 779.3279 NA PeJP NA NA +PJ033309 SSSNKEE C29H49N9O16 779.3297 NA PeJP NA NA +PJ033310 GGSSSKEE C29H49N9O16 779.3298 NA PeJP NA NA +PJ033311 VDEMMR C30H53N9O11S2 779.3306 NA PeJP NA NA +PJ033312 SDEHHR C30H45N13O12 779.3311 NA PeJP NA NA +PJ033313 SPPMYW C38H49N7O9S 779.3313 NA PeJP NA NA +PJ033314 GCCRRW C31H49N13O7S2 779.332 NA PeJP NA NA +PJ033315 PDKEEY C34H49N7O14 779.3338 NA PeJP NA NA +PJ033316 GSSCDRR C27H49N13O12S 779.3345 NA PeJP NA NA +PJ033317 AAPPMMY C35H53N7O9S2 779.3346 NA PeJP NA NA +PJ033318 ALEMMW C35H53N7O9S2 779.3347 NA PeJP NA NA +PJ033319 ATEHHW C35H45N11O10 779.3351 NA PeJP NA NA +PJ033320 GTTLEEM C31H53N7O14S 779.3371 NA PeJP NA NA +PJ033321 VVTTDDM C31H53N7O14S 779.3372 NA PeJP NA NA +PJ033322 GPTLMMM C32H57N7O9S3 779.338 NA PeJP NA NA +PJ033323 SSNMRW C32H49N11O10S 779.3385 NA PeJP NA NA +PJ033324 NQFWW C40H45N9O8 779.3391 NA PeJP NA NA +PJ033325 GGGAFWW C40H45N9O8 779.3392 NA PeJP NA NA +PJ033326 SSSSQER C28H49N11O15 779.341 NA PeJP NA NA +PJ033327 SQQMMR C29H53N11O10S2 779.3418 NA PeJP NA NA +PJ033328 TNQMMR C29H53N11O10S2 779.3419 NA PeJP NA NA +PJ033329 GTCKWW C37H49N9O8S 779.3425 NA PeJP NA NA +PJ033330 GSSSKEW C33H49N9O13 779.345 NA PeJP NA NA +PJ033331 GQKMMW C34H53N9O8S2 779.3459 NA PeJP NA NA +PJ033332 GSTQKEM C30H53N9O13S 779.3484 NA PeJP NA NA +PJ033333 SPVEYW C38H49N7O11 779.349 NA PeJP NA NA +PJ033334 APCCKKM C31H57N9O8S3 779.3493 NA PeJP NA NA +PJ033335 AEMHHR C31H49N13O9S 779.3497 NA PeJP NA NA +PJ033336 GPHHFW C39H45N11O7 779.3504 NA PeJP NA NA +PJ033337 TTLEMW C35H53N7O11S 779.3524 NA PeJP NA NA +PJ033338 SCQMRR C28H53N13O9S2 779.3531 NA PeJP NA NA +PJ033339 GLMHHW C36H49N11O7S 779.3538 NA PeJP NA NA +PJ033340 STTTLEE C31H53N7O16 779.3549 NA PeJP NA NA +PJ033341 LKEEMM C32H57N7O11S2 779.3558 NA PeJP NA NA +PJ033342 GSSSTRW C32H49N11O12 779.3562 NA PeJP NA NA +PJ033343 GGAQERY C32H49N11O12 779.3563 NA PeJP NA NA +PJ033344 GCKMRW C33H53N11O7S2 779.3571 NA PeJP NA NA +PJ033345 VNHHHH C33H45N15O8 779.3576 NA PeJP NA NA +PJ033346 GSSDKMR C29H53N11O12S 779.3596 NA PeJP NA NA +PJ033347 SSSKWW C37H49N9O10 779.3603 NA PeJP NA NA +PJ033348 STQKMW C34H53N9O10S 779.3636 NA PeJP NA NA +PJ033349 GGGAPKMY C34H53N9O10S 779.3637 NA PeJP NA NA +PJ033350 LEFWW C42H49N7O8 779.3643 NA PeJP NA NA +PJ033351 SSSDKKE C30H53N9O15 779.3661 NA PeJP NA NA +PJ033352 TLEMMR C31H57N9O10S2 779.367 NA PeJP NA NA +PJ033353 GNDRRY C31H49N13O11 779.3675 NA PeJP NA NA +PJ033354 APLMYW C39H53N7O8S 779.3677 NA PeJP NA NA +PJ033355 GHHHHR C32H45N17O7 779.3688 NA PeJP NA NA +PJ033356 VLQEEY C35H53N7O13 779.3702 NA PeJP NA NA +PJ033357 ASSTCRR C28H53N13O11S 779.3708 NA PeJP NA NA +PJ033358 GSSSMRR C28H53N13O11S 779.3709 NA PeJP NA NA +PJ033359 SLLMMW C36H57N7O8S2 779.371 NA PeJP NA NA +PJ033360 QQRYW C36H49N11O9 779.3715 NA PeJP NA NA +PJ033361 SSTLLEM C32H57N7O13S 779.3735 NA PeJP NA NA +PJ033362 AALLMMM C33H61N7O8S3 779.3744 NA PeJP NA NA +PJ033363 STCKRW C33H53N11O9S 779.3749 NA PeJP NA NA +PJ033364 NKFWW C41H49N9O7 779.3755 NA PeJP NA NA +PJ033365 SSSSKER C29H53N11O14 779.3774 NA PeJP NA NA +PJ033366 SQKMMR C30H57N11O9S2 779.3782 NA PeJP NA NA +PJ033367 GGTKMMR C30H57N11O9S2 779.3783 NA PeJP NA NA +PJ033368 PPLMHW C38H53N9O7S 779.3789 NA PeJP NA NA +PJ033369 GSTTTKW C34H53N9O12 779.3814 NA PeJP NA NA +PJ033370 GKKMMW C35H57N9O7S2 779.3823 NA PeJP NA NA +PJ033371 GPQHRW C35H49N13O8 779.3827 NA PeJP NA NA +PJ033372 GGAPHRW C35H49N13O8 779.3828 NA PeJP NA NA +PJ033373 GSTKKEM C31H57N9O12S 779.3848 NA PeJP NA NA +PJ033374 GLLEYW C39H53N7O10 779.3854 NA PeJP NA NA +PJ033375 VLMMMR C32H61N9O7S3 779.3856 NA PeJP NA NA +PJ033376 GNMFRR C32H53N13O8S 779.3861 NA PeJP NA NA +PJ033377 SSSSTRR C28H53N13O13 779.3886 NA PeJP NA NA +PJ033378 PLKEMY C36H57N7O10S 779.3888 NA PeJP NA NA +PJ033379 SCKMRR C29H57N13O8S2 779.3895 NA PeJP NA NA +PJ033380 ATTLLMM C33H61N7O10S2 779.3922 NA PeJP NA NA +PJ033381 GQKERY C33H53N11O11 779.3926 NA PeJP NA NA +PJ033382 GGGGGGKKY C33H53N11O11 779.3927 NA PeJP NA NA +PJ033383 PPHHHR C34H49N15O7 779.394 NA PeJP NA NA +PJ033384 GSTTKMR C30H57N11O11S 779.396 NA PeJP NA NA +PJ033385 AVNKYW C38H53N9O9 779.3966 NA PeJP NA NA +PJ033386 GVQKYW C38H53N9O9 779.3967 NA PeJP NA NA +PJ033387 STKKMW C35H57N9O9S 779.4 NA PeJP NA NA +PJ033388 LLYWW C43H53N7O7 779.4007 NA PeJP NA NA +PJ033389 SSTTKKE C31H57N9O14 779.4025 NA PeJP NA NA +PJ033390 DKKKMM C32H61N9O9S2 779.4034 NA PeJP NA NA +PJ033391 GTQRRY C32H53N13O10 779.4039 NA PeJP NA NA +PJ033392 ALLMFW C40H57N7O7S 779.4041 NA PeJP NA NA +PJ033393 VLKEEY C36H57N7O12 779.4065 NA PeJP NA NA +PJ033394 GSVLLEY C36H57N7O12 779.4066 NA PeJP NA NA +PJ033395 QKRYW C37H53N11O8 779.4079 NA PeJP NA NA +MJ094120 idin D; 7-Deoxy C40H61NO14 779.409205 NA MeJP NA NA +PJ033396 TTTTLLM C33H61N7O12S 779.4099 NA PeJP NA NA +PJ033397 AQKMFR C34H57N11O8S 779.4113 NA PeJP NA NA +PJ033398 SSTTTKR C30H57N11O13 779.4137 NA PeJP NA NA +PJ033399 SKKMMR C31H61N11O8S2 779.4146 NA PeJP NA NA +PJ033400 SPQHRR C31H53N15O9 779.4151 NA PeJP NA NA +PJ033401 SLLERY C35H57N9O11 779.4178 NA PeJP NA NA +PJ033402 GPKHRW C36H53N13O7 779.4191 NA PeJP NA NA +PJ033403 SSSLKKM C32H61N9O11S 779.4211 NA PeJP NA NA +PJ033404 SVLLYW C40H57N7O9 779.4218 NA PeJP NA NA +PJ033405 ACKFRR C33H57N13O7S 779.4225 NA PeJP NA NA +PJ033406 LLLQMY C37H61N7O9S 779.4252 NA PeJP NA NA +PJ033407 GKKERY C34H57N11O10 779.429 NA PeJP NA NA +PJ033408 GVKKYW C39H57N9O8 779.433 NA PeJP NA NA +PJ033409 GGPKKFF C39H57N9O8 779.4331 NA PeJP NA NA +PJ033410 VVLMRY C36H61N9O8S 779.4364 NA PeJP NA NA +PJ033411 TTTTTKK C32H61N9O13 779.4389 NA PeJP NA NA +PJ033412 GTKRRY C33H57N13O9 779.4403 NA PeJP NA NA +PJ033413 GTTLLLY C37H61N7O11 779.4429 NA PeJP NA NA +PJ033414 KKRYW C38H57N11O7 779.4443 NA PeJP NA NA +PJ033415 AKKMFR C35H61N11O7S 779.4476 NA PeJP NA NA +PJ033416 VCKKFR C35H61N11O7S 779.4477 NA PeJP NA NA +PJ033417 SPKHRR C32H57N15O8 779.4515 NA PeJP NA NA +PJ033418 VDKKKY C36H61N9O10 779.4542 NA PeJP NA NA +PJ033419 PLLKFY C41H61N7O8 779.4582 NA PeJP NA NA +PJ033420 LLLKMY C38H65N7O8S 779.4616 NA PeJP NA NA +PJ033421 GVHRRR C31H57N17O7 779.4627 NA PeJP NA NA +PJ033422 SVKKRY C35H61N11O9 779.4654 NA PeJP NA NA +PJ033423 VLLLHW C40H61N9O7 779.4694 NA PeJP NA NA +PJ033424 VKKKMF C37H65N9O7S 779.4728 NA PeJP NA NA +HMDB12340 PS(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C42H70NO10P 779.473755 NA HMDB2010 NA NA +HMDB12414 PS(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) C42H70NO10P 779.473755 NA HMDB2010 NA NA +HMDB12440 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0) C42H70NO10P 779.473755 NA HMDB2010 NA NA +PJ033425 HRRRR C30H57N19O6 779.474 NA PeJP NA NA +3498 ACE inhibitor from b-casein (169-175) KVLPVPQ 779.476 ACE inhibitor Inhouse_peptide NA peptide +7877 peptide derived from bovine b-casein (170-176) VLPVPQK 779.476 antibacterial Inhouse_peptide NA peptide +PJ033426 AAPPLRR C34H61N13O8 779.4766 NA PeJP NA NA +PJ033427 GPPVVRR C34H61N13O8 779.4767 NA PeJP NA NA +PJ033428 PPVLLLE C38H65N7O10 779.4793 NA PeJP NA NA +MJ094121 Antibiotic X 14952B C42H69NO12 779.481976 NA MeJP NA NA +PJ033429 PPVRRR C33H61N15O7 779.4879 NA PeJP NA NA +PJ033430 TLKKKY C37H65N9O9 779.4906 NA PeJP NA NA +PJ033431 LLLKFF C42H65N7O7 779.4946 NA PeJP NA NA +PJ033432 GPPLLKR C36H65N11O8 779.5018 NA PeJP NA NA +PJ033433 VLKKHR C35H65N13O7 779.513 NA PeJP NA NA +HMDB12313 3-O-Sulfogalactosylceramide (d18:1/16:0) C40H77NO11S 779.521729 NA HMDB2010 NA NA +PJ033434 PPVVLKK C38H69N9O8 779.5269 NA PeJP NA NA +EUR695 PC(34:2) [M+Na]+ C42H80NO8P 779.544103 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR945 PC 34:2 [M+Na]+ C42H80NO8P 779.544103 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR695 PC(34:2) [M+Na]+ C42H80NO8P 779.544103 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR945 PC 34:2 [M+Na]+ C42H80NO8P 779.544103 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR695 PC(34:2) [M+Na]+ C42H80NO8P 779.544103 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR945 PC 34:2 [M+Na]+ C42H80NO8P 779.544103 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR695 PC(34:2) [M+Na]+ C42H80NO8P 779.544103 masses lipides attendues Inhousejuil11 NA NA +EUR945 PC 34:2 [M+Na]+ C42H80NO8P 779.544103 masses lipides attendues Inhousejuil11 NA NA +EUR684 PC(36:5) monoisotopic mass C44H78NO8P 779.546507 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR979 PC 36:5 monoisotopic mass C44H78NO8P 779.546507 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR684 PC(36:5) monoisotopic mass C44H78NO8P 779.546507 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR979 PC 36:5 monoisotopic mass C44H78NO8P 779.546507 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR684 PC(36:5) monoisotopic mass C44H78NO8P 779.546507 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR979 PC 36:5 monoisotopic mass C44H78NO8P 779.546507 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR684 PC(36:5) monoisotopic mass C44H78NO8P 779.546507 masses lipides attendues Inhousejuil11 NA NA +EUR979 PC 36:5 monoisotopic mass C44H78NO8P 779.546507 masses lipides attendues Inhousejuil11 NA NA +HMDB07890 PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB07891 PC(14:0/22:5(7Z,10Z,13Z,16Z,19Z)) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB07922 PC(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB07984 PC(16:0/20:5(5Z,8Z,11Z,14Z,17Z)) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB08015 PC(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB08016 PC(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB08075 PC(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB08108 PC(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB08140 PC(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB08141 PC(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB08171 PC(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB08204 PC(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB08235 PC(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB08236 PC(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB08430 PC(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB08463 PC(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB08495 PC(20:5(5Z,8Z,11Z,14Z,17Z)/16:0) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB08624 PC(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB08656 PC(22:5(4Z,7Z,10Z,13Z,16Z)/14:0) C44H78NO8P 779.546509 NA HMDB2010 NA NA +HMDB08689 PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:0) C44H78NO8P 779.546509 NA HMDB2010 NA NA +PJ033435 PVLLLLL C40H73N7O8 779.5521 NA PeJP NA NA +HMDB09610 PE(22:4(7Z,10Z,13Z,16Z)/P-18:0) C45H82NO7P 779.582886 NA HMDB2010 NA NA +HMDB11391 PE(P-18:0/22:4(7Z,10Z,13Z,16Z)) C45H82NO7P 779.582886 NA HMDB2010 NA NA +MJ094122 Rhodoquinone 9 C53H81NO3 779.621645 NA MeJP NA NA +MJ094123 Emblicanin B C34H20O22 780.044622 NA MeJP NA NA +PJ033436 GSCCCCCC C23H40N8O10S6 780.1192 NA PeJP NA NA +FL2FABGM0004 5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-(4,6-digalloylglucoside);Matteucinol-7-O-[4'',6''-di-O-galloyl]-beta-D-glucopyranoside C38H36O18 780.19016 374907-39-8 knapsack NA NA +PJ033437 SCCCNDH C26H40N10O12S3 780.199 NA PeJP NA NA +PJ033438 PCCNDDD C27H40N8O15S2 780.2055 NA PeJP NA NA +PJ033439 CCDDYY C32H40N6O13S2 780.2095 NA PeJP NA NA +PJ033440 CCMMMY C30H48N6O8S5 780.2137 NA PeJP NA NA +PJ033441 GCCCQMH C27H44N10O9S4 780.2176 NA PeJP NA NA +PJ033442 GCNDDEE C27H40N8O17S 780.2232 NA PeJP NA NA +PJ033443 GNDDDDM C27H40N8O17S 780.2233 NA PeJP NA NA +PJ033444 GSPPCCCD C28H44N8O12S3 780.2241 NA PeJP NA NA +MJ094124 Sucrose; 1',3',6'-Tris(4-hydroxycinnamoyl) C39H40O17 780.226549 NA MeJP NA NA +PJ033445 CCDMFY C33H44N6O10S3 780.2281 NA PeJP NA NA +PJ033446 GCCCCHR C26H44N12O8S4 780.2288 NA PeJP NA NA +PJ033447 SCNNNDD C26H40N10O16S 780.2345 NA PeJP NA NA +PJ033448 SSCCNMH C27H44N10O11S3 780.2353 NA PeJP NA NA +PJ033449 GGSSCCMH C27H44N10O11S3 780.2354 NA PeJP NA NA +PJ033450 CNDDEW C31H40N8O14S 780.2385 NA PeJP NA NA +PJ033451 SSNDDDE C27H40N8O19 780.241 NA PeJP NA NA +PJ033452 SPCNDDM C28H44N8O14S2 780.2419 NA PeJP NA NA +PJ033453 CEMMMH C29H48N8O9S4 780.2427 NA PeJP NA NA +PJ033454 GAPPCCCM C29H48N8O9S4 780.2428 NA PeJP NA NA +PJ033455 SCDMYY C33H44N6O12S2 780.2459 NA PeJP NA NA +PJ033456 CCMMFF C34H48N6O7S4 780.2468 NA PeJP NA NA +HMDB01196 N,N'-Diacetylchitobiosyldiphosphodolichol C28H50N2O19P2 780.24829 http://www.hmdb.ca/metabolites/HMDB01196 HMDB NA NA +HMDB01196 N,N'-Diacetylchitobiosyldiphosphodolichol C28H50N2O19P2 780.24829 HMDB01196 PFEM_hmdb_metabocards_official NA NA +HMDB01196 N,N'-Diacetylchitobiosyldiphosphodolichol C28H50N2O19P2 780.248291 NA HMDB2010 NA NA +PJ033457 DEEEEM C29H44N6O17S 780.2484 NA PeJP NA NA +PJ033458 GSSSTCCH C27H44N10O13S2 780.2531 NA PeJP NA NA +PJ033459 GCDDWW C35H40N8O11S 780.2538 NA PeJP NA NA +PJ033460 PPCCCCR C28H48N10O8S4 780.254 NA PeJP NA NA +PJ033461 GSSDDDW C31H40N8O16 780.2563 NA PeJP NA NA +PJ033462 GSPCCEW C32H44N8O11S2 780.2571 NA PeJP NA NA +PJ033463 GSNDEEM C28H44N8O16S 780.2596 NA PeJP NA NA +PJ033464 GPCNEMM C29H48N8O11S3 780.2605 NA PeJP NA NA +PJ033465 CCDFFF C37H44N6O9S2 780.2612 NA PeJP NA NA +PJ033466 GCCNNDR C26H44N12O12S2 780.2643 NA PeJP NA NA +PJ033467 GGGCCNDR C26H44N12O12S2 780.2644 NA PeJP NA NA +PJ033468 ACMMYY C34H48N6O9S3 780.2645 NA PeJP NA NA +PJ033469 DDEEHH C30H40N10O15 780.2675 NA PeJP NA NA +PJ033470 CCQQHY C31H44N10O10S2 780.2683 NA PeJP NA NA +PJ033471 CNNNMW C31H44N10O10S2 780.2684 NA PeJP NA NA +PJ033472 SSCNNQE C27H44N10O15S 780.2708 NA PeJP NA NA +PJ033473 GSCDDER C27H44N10O15S 780.2709 NA PeJP NA NA +PJ033474 GPCCDMR C28H48N10O10S3 780.2717 NA PeJP NA NA +PJ033475 GGGGPCCCK C28H48N10O10S3 780.2718 NA PeJP NA NA +PJ033476 SPCCWW C36H44N8O8S2 780.2724 NA PeJP NA NA +PJ033477 SNDEMW C32H44N8O13S 780.2749 NA PeJP NA NA +PJ033478 PCNMMW C33H48N8O8S3 780.2758 NA PeJP NA NA +PJ033479 SSSNEEE C28H44N8O18 780.2774 NA PeJP NA NA +PJ033480 SSPNDMM C29H48N8O13S2 780.2782 NA PeJP NA NA +PJ033481 NQEEMM C29H48N8O13S2 780.2783 NA PeJP NA NA +PJ033482 GSNDDHH C29H40N12O14 780.2787 NA PeJP NA NA +PJ033483 GCEFYY C37H44N6O11S 780.2789 NA PeJP NA NA +PJ033484 TMMMMH C30H52N8O8S4 780.2791 NA PeJP NA NA +PJ033485 GPCCQHH C30H44N12O9S2 780.2796 NA PeJP NA NA +PJ033486 PDEEEY C33H44N6O16 780.2814 NA PeJP NA NA +PJ033487 SSMMYY C34H48N6O11S2 780.2823 NA PeJP NA NA +PJ033488 SCDDRW C31H44N10O12S 780.2861 NA PeJP NA NA +PJ033489 SSSDDDR C27H44N10O17 780.2886 NA PeJP NA NA +MJ094125 17-Hydroxydihydromyrsinol; 3,14-Bis(3-pyridinecarbonyl), 7-benzoyl, 5,15-di-Ac C43H44N2O12 780.289424 NA MeJP NA NA +PJ033490 NDDMMR C28H48N10O12S2 780.2895 NA PeJP NA NA +PJ033491 GSDMWW C36H44N8O10S 780.2901 NA PeJP NA NA +PJ033492 GGPCDFW C36H44N8O10S 780.2902 NA PeJP NA NA +PJ033493 GSSSEEW C32H44N8O15 780.2926 NA PeJP NA NA +PJ033494 GGGSPDEY C32H44N8O15 780.2927 NA PeJP NA NA +PJ033495 GQEMMW C33H48N8O10S2 780.2935 NA PeJP NA NA +PJ033496 CFYYW C41H44N6O8S 780.2941 NA PeJP NA NA +PJ033497 GSTQEEM C29H48N8O15S 780.296 NA PeJP NA NA +PJ033498 GSEYYY C37H44N6O13 780.2967 NA PeJP NA NA +PJ033499 GSPQMMM C30H52N8O10S3 780.2969 NA PeJP NA NA +PJ033500 SSPCNHH C30H44N12O11S 780.2973 NA PeJP NA NA +PJ033501 NNEMHH C30H44N12O11S 780.2974 NA PeJP NA NA +PJ033502 ACMFFY C38H48N6O8S2 780.2975 NA PeJP NA NA +PJ033503 PEEEMF C34H48N6O13S 780.3 NA PeJP NA NA +PJ033504 CCDERR C27H48N12O11S2 780.3007 NA PeJP NA NA +PJ033505 CNNHFF C35H44N10O9S 780.3014 NA PeJP NA NA +PJ033506 LEEEMM C31H52N6O13S2 780.3034 NA PeJP NA NA +PJ033507 SSSSNNW C31H44N10O14 780.3039 NA PeJP NA NA +PJ033508 ACDMRW C32H48N10O9S2 780.3047 NA PeJP NA NA +PJ033509 GCEMRW C32H48N10O9S2 780.3048 NA PeJP NA NA +PJ033510 TCWWW C40H44N8O7S 780.3054 NA PeJP NA NA +PJ033511 SSVCDDR C28H48N10O14S 780.3072 NA PeJP NA NA +PJ033512 GSSDEMR C28H48N10O14S 780.3073 NA PeJP NA NA +MJ094126 Pacidamycin 5T C36H44N8O12 780.307868 NA MeJP NA NA +PJ033513 SSSEWW C36H44N8O12 780.3079 NA PeJP NA NA +PJ033514 GSPCMMR C29H52N10O9S3 780.3081 NA PeJP NA NA +PJ033515 CNDHHR C29H44N14O10S 780.3086 NA PeJP NA NA +PJ033516 QMMWW C37H48N8O7S2 780.3088 NA PeJP NA NA +PJ033517 STQEMW C33H48N8O12S 780.3113 NA PeJP NA NA +PJ033518 SYYYW C41H44N6O10 780.3119 NA PeJP NA NA +PJ033519 CLMMHF C34H52N8O7S3 780.3121 NA PeJP NA NA +PJ033520 GNMHHW C34H44N12O8S 780.3126 NA PeJP NA NA +PJ033521 SSSDKEE C29H48N8O17 780.3138 NA PeJP NA NA +PJ033522 NKEEMM C30H52N8O12S2 780.3146 NA PeJP NA NA +PJ033523 GGKEEMM C30H52N8O12S2 780.3147 NA PeJP NA NA +PJ033524 GSSQEHH C30H44N12O13 780.3151 NA PeJP NA NA +PJ033525 AAMYYY C38H48N6O10S 780.3153 NA PeJP NA NA +PJ033526 GPCCKHH C31H48N12O8S2 780.316 NA PeJP NA NA +PJ033527 VEEEEF C34H48N6O15 780.3178 NA PeJP NA NA +PJ033528 SSSCNQR C27H48N12O13S 780.3185 NA PeJP NA NA +PJ033529 GNNQYW C35H44N10O11 780.3191 NA PeJP NA NA +PJ033530 GGGGGGAYW C35H44N10O11 780.3192 NA PeJP NA NA +PJ033531 CMRWW C36H48N10O6S2 780.32 NA PeJP NA NA +MJ094127 Terracinolide A; 6-Debenzoyl, 6-Ac C38H52O17 780.32045 NA MeJP NA NA +PJ033532 SSDMRW C32H48N10O11S 780.3225 NA PeJP NA NA +PJ033533 NEFWW C40H44N8O9 780.3231 NA PeJP NA NA +PJ033534 GGEFWW C40H44N8O9 780.3232 NA PeJP NA NA +PJ033535 SSSSEER C28H48N10O16 780.325 NA PeJP NA NA +PJ033536 SQEMMR C29H52N10O11S2 780.3259 NA PeJP NA NA +PJ033537 GTTMWW C37H48N8O9S 780.3265 NA PeJP NA NA +3715 NA YSQQQQ 780.327 ACE inhibitor Inhouse_peptide NA peptide +PJ033538 GSTTTEW C33H48N8O14 780.329 NA PeJP NA NA +PJ033539 GKEMMW C34H52N8O9S2 780.3299 NA PeJP NA NA +PJ033540 SSQHHW C34H44N12O10 780.3304 NA PeJP NA NA +PJ033541 ACFFFF C42H48N6O7S 780.3306 NA PeJP NA NA +PJ033542 GSTKEEM C30H52N8O14S 780.3324 NA PeJP NA NA +PJ033543 ATTYYY C38H48N6O12 780.333 NA PeJP NA NA +PJ033544 PPEEFY C38H48N6O12 780.3331 NA PeJP NA NA +PJ033545 GSPKMMM C31H56N8O9S3 780.3333 NA PeJP NA NA +PJ033546 CNNQFR C31H48N12O10S 780.3337 NA PeJP NA NA +PJ033547 GGGGCQFR C31H48N12O10S 780.3338 NA PeJP NA NA +MJ094128 Zaragozic acid D3; 8-Me ester C42H52O14 780.335706 NA MeJP NA NA +PJ033548 GSSSSSNR C27H48N12O15 780.3362 NA PeJP NA NA +PJ033549 PLEEMY C35H52N6O12S 780.3364 NA PeJP NA NA +PJ033550 SCEMRR C28H52N12O10S2 780.3371 NA PeJP NA NA +PJ033551 GPCRYW C36H48N10O8S 780.3378 NA PeJP NA NA +PJ033552 GFWWW C44H44N8O6 780.3384 NA PeJP NA NA +PJ033553 SQQQQY C32H48N10O13 780.3402 NA PeJP NA NA +PJ033554 GQEERY C32H48N10O13 780.3403 NA PeJP NA NA +PJ033555 GTMMRW C33H52N10O8S2 780.3411 NA PeJP NA NA +PJ033556 VDHHHH C33H44N14O9 780.3416 NA PeJP NA NA +PJ033557 GSTTEMR C29H52N10O13S 780.3436 NA PeJP NA NA +PJ033558 STTTWW C37H48N8O11 780.3443 NA PeJP NA NA +PJ033559 VNMMMR C30H56N10O8S3 780.3445 NA PeJP NA NA +PJ033560 SNMHHR C30H48N14O9S 780.345 NA PeJP NA NA +PJ033561 KMMWW C38H52N8O6S2 780.3452 NA PeJP NA NA +PJ033562 GHHHFF C38H44N12O7 780.3456 NA PeJP NA NA +PJ033563 STKEMW C34H52N8O11S 780.3476 NA PeJP NA NA +PJ033564 TTDKMW C34H52N8O11S 780.3477 NA PeJP NA NA +PJ033565 AAFFYY C42H48N6O9 780.3483 NA PeJP NA NA +PJ033566 ACKHHW C35H48N12O7S 780.349 NA PeJP NA NA +PJ033567 SSTTKEE C30H52N8O16 780.3501 NA PeJP NA NA +PJ033568 GSSSTTLE C30H52N8O16 780.3502 NA PeJP NA NA +PJ033569 DKKEMM C31H56N8O11S2 780.351 NA PeJP NA NA +PJ033570 GDDRRY C31H48N12O12 780.3515 NA PeJP NA NA +PJ033571 PCCFRR C32H52N12O7S2 780.3524 NA PeJP NA NA +PJ033572 VLEEEY C35H52N6O14 780.3542 NA PeJP NA NA +PJ033573 SSSCNKR C28H52N12O12S 780.3549 NA PeJP NA NA +PJ033574 QERYW C36H48N10O10 780.3555 NA PeJP NA NA +PJ033575 GMMMRR C29H56N12O7S3 780.3557 NA PeJP NA NA +PJ033576 STTMRW C33H52N10O10S 780.3589 NA PeJP NA NA +PJ033577 VQYWW C41H48N8O8 780.3595 NA PeJP NA NA +PJ033578 SSTTTER C29H52N10O15 780.3614 NA PeJP NA NA +C16563 Bis(glutathionyl)spermine C30H56N10O10S2 780.3622 NA KEGG NA NA +PJ033579 SKEMMR C30H56N10O10S2 780.3623 NA PeJP NA NA +PJ033580 GSSTHHR C30H48N14O11 780.3627 NA PeJP NA NA +PJ033581 GGGGGSPHR C30H48N14O11 780.3628 NA PeJP NA NA +PJ033582 GPKMYW C38H52N8O8S 780.3629 NA PeJP NA NA +PJ033583 SSSTTLW C34H52N8O13 780.3654 NA PeJP NA NA +PJ033584 SVKMMW C35H56N8O8S2 780.3663 NA PeJP NA NA +PJ033585 GPEHRW C35H48N12O9 780.3668 NA PeJP NA NA +PJ033586 SSSLKEM C31H56N8O13S 780.3688 NA PeJP NA NA +PJ033587 PPLEYY C39H52N6O11 780.3694 NA PeJP NA NA +PJ033588 LQKMMM C32H60N8O8S3 780.3697 NA PeJP NA NA +PJ033589 SPCRRY C32H52N12O9S 780.3701 NA PeJP NA NA +PJ033590 ARYWW C40H48N10O7 780.3708 NA PeJP NA NA +PJ033591 LLEEMF C36H56N6O11S 780.3728 NA PeJP NA NA +PJ033592 STMMRR C29H56N12O9S2 780.3735 NA PeJP NA NA +PJ033593 AAMFRW C37H52N10O7S 780.3742 NA PeJP NA NA +PJ033594 ADKERY C33H52N10O12 780.3766 NA PeJP NA NA +PJ033595 GKEERY C33H52N10O12 780.3767 NA PeJP NA NA +PJ033596 PCKMFR C34H56N10O7S2 780.3775 NA PeJP NA NA +PJ033597 GQHHFR C34H48N14O8 780.378 NA PeJP NA NA +PJ033598 SSSTLMR C30H56N10O12S 780.38 NA PeJP NA NA +PJ033599 GVKEYW C38H52N8O10 780.3807 NA PeJP NA NA +PJ033600 CLKMMR C31H60N10O7S3 780.3809 NA PeJP NA NA +PJ033601 TCKHHR C31H52N14O8S 780.3814 NA PeJP NA NA +PJ033602 PHRWW C39H48N12O6 780.382 NA PeJP NA NA +PJ033603 PDKKMY C35H56N8O10S 780.384 NA PeJP NA NA +PJ033604 GGGALLMY C35H56N8O10S 780.3841 NA PeJP NA NA +PJ033605 TTTTTKE C31H56N8O15 780.3865 NA PeJP NA NA +PJ033606 GTTLKMM C32H60N8O10S2 780.3874 NA PeJP NA NA +PJ033607 GTERRY C32H52N12O11 780.3879 NA PeJP NA NA +PJ033608 KERYW C37H52N10O9 780.3919 NA PeJP NA NA +MJ094129 21,23:22,28:26,28-Triepoxystigmasta-8,14-diene-3,21,24-triol, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucopyranoside] C40H60O15 780.393221 NA MeJP NA NA +MJ094130 Spirosta-5,25(27)-diene-1,3,23,24-tetrol, 1-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C40H60O15 780.393221 NA MeJP NA NA +PJ033609 SPKMRY C34H56N10O9S 780.3953 NA PeJP NA NA +PJ033610 VKYWW C42H52N8O7 780.3959 NA PeJP NA NA +PJ033611 TTTTTTR C30H56N10O14 780.3978 NA PeJP NA NA +PJ033612 ATCCKKK C31H60N10O9S2 780.3986 NA PeJP NA NA +PJ033613 GSCKKKM C31H60N10O9S2 780.3987 NA PeJP NA NA +PJ033614 SPEHRR C31H52N14O10 780.3991 NA PeJP NA NA +PJ033615 GLKMFW C39H56N8O7S 780.3993 NA PeJP NA NA +PJ033616 VDKKEY C35H56N8O12 780.4018 NA PeJP NA NA +PJ033617 PKKMMF C36H60N8O7S2 780.4027 NA PeJP NA NA +PJ033618 TRRYW C36H52N12O8 780.4031 NA PeJP NA NA +PJ033619 GGVKHHF C36H52N12O8 780.4032 NA PeJP NA NA +PJ033620 STTTLKM C32H60N8O12S 780.4052 NA PeJP NA NA +PJ033621 PLLEFY C40H56N6O10 780.4058 NA PeJP NA NA +PJ033622 LKKMMM C33H64N8O7S3 780.406 NA PeJP NA NA +PJ033623 GVMRRY C33H56N12O8S 780.4065 NA PeJP NA NA +PJ033624 LLLEMY C37H60N6O10S 780.4092 NA PeJP NA NA +PJ033625 GQQHRR C30H52N16O9 780.4104 NA PeJP NA NA +PJ033626 SVKERY C34H56N10O11 780.413 NA PeJP NA NA +PJ033627 GGGVLLEH C34H56N10O11 780.4131 NA PeJP NA NA +PJ033628 GKHHFR C35H52N14O7 780.4144 NA PeJP NA NA +PJ033629 SSTCKKK C31H60N10O11S 780.4164 NA PeJP NA NA +PJ033630 SVVKYW C39H56N8O9 780.417 NA PeJP NA NA +PJ033631 ATLKYW C39H56N8O9 780.4171 NA PeJP NA NA +PJ033632 MRRRY C32H56N14O7S 780.4177 NA PeJP NA NA +PJ033633 PCLHRR C32H56N14O7S 780.4178 NA PeJP NA NA +PJ033634 VLQKMY C36H60N8O9S 780.4204 NA PeJP NA NA +PJ033635 SSLRRY C33H56N12O10 780.4243 NA PeJP NA NA +HMDB06748 N-Acetylneuraminyl-Galactosylceramide C36H64N2O16 780.4256 http://www.hmdb.ca/metabolites/HMDB06748 HMDB NA NA +HMDB06748 N-Acetylneuraminyl-Galactosylceramide C36H64N2O16 780.4256 HMDB06748 PFEM_hmdb_metabocards_official NA NA +PJ033636 PTLKHW C38H56N10O8 780.4283 NA PeJP NA NA +2988 kinases inhibitor KKALRRQEAYDAL 780.42945 MH2+ Inhouse_peptide NA peptide +C06956 Digoxin C41H64O14 780.4296 NA KEGG NA NA +C08866 Gitoxin C41H64O14 780.4296 NA KEGG NA NA +MJ094131 12-Ursene-3,21,28-triol, 28-Carboxylic acid, 3-O-[?-L-arabinopyranosyl-(1?2)-?-D-glucuronopyranoside] C41H64O14 780.429606 NA MeJP NA NA +MJ094132 2,3-Dihydroxy-24-nor-4(23),12-oleanadien-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C41H64O14 780.429606 NA MeJP NA NA +MJ094133 3,12,13-Trihydroxy-28-oleananoic acid, 28?13 Lactone, 3-O-[?-D-xylopyranosyl-(1?3)-?-D-glucuronopyranoside] C41H64O14 780.429606 NA MeJP NA NA +MJ094134 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-?-D-ribo-hexopyranosyl-(1?4)-O-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-O-2,6-dideoxy-?-D-ribo-hexopyranoside] C41H64O14 780.429606 NA MeJP NA NA +MJ094135 3,16,29-Trihydroxycycloart-24-en-26,22-olide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside] C41H64O14 780.429606 NA MeJP NA NA +MJ094136 3,19,23-Trihydroxy-12,20(30)-ursadien-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranosyl ester C41H64O14 780.429606 NA MeJP NA NA +MJ094137 3,22-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside] C41H64O14 780.429606 NA MeJP NA NA +MJ094138 3,23-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester C41H64O14 780.429606 NA MeJP NA NA +MJ094139 3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Xylopyranoside, 28-O-?-D-glucopyranosyl ester C41H64O14 780.429606 NA MeJP NA NA +MJ094140 3-Hydroxy-12-oleanene-28,29-dioic acid, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranosyl ester C41H64O14 780.429606 NA MeJP NA NA +MJ094141 Digoxin C41H64O14 780.429606 NA MeJP NA NA +MJ094142 Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-galactopyranoside] C41H64O14 780.429606 NA MeJP NA NA +HMDB01917 Digoxin C41H64O14 780.429626 NA HMDB2010 NA NA +HMDB01917 Digoxin C41H64O14 780.42963 http://www.hmdb.ca/metabolites/HMDB01917 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01917 Digoxin C41H64O14 780.42963 http://www.hmdb.ca/metabolites/HMDB01917 HMDB NA NA +HMDB01917 Digoxin C41H64O14 780.42963 http://www.hmdb.ca/metabolites/HMDB01917 PFEM_hmdb_metabocards_blood NA blood +HMDB01917 Digoxin C41H64O14 780.42963 HMDB01917 PFEM_hmdb_metabocards_official NA NA +PJ033637 ALKMRY C35H60N10O8S 780.4317 NA PeJP NA NA +PJ033638 ALEHRR C32H56N14O9 780.4355 NA PeJP NA NA +PJ033639 TLKKEY C36H60N8O11 780.4382 NA PeJP NA NA +PJ033640 GLLHRW C37H56N12O7 780.4395 NA PeJP NA NA +PJ033641 PLLLYY C41H60N6O9 780.4422 NA PeJP NA NA +PJ033642 PLKMHR C34H60N12O7S 780.4429 NA PeJP NA NA +PJ033643 GQKHRR C31H56N16O8 780.4467 NA PeJP NA NA +MJ094143 Boromycin; Desvalyl C40H64BO14(-) 780.446737 NA MeJP NA NA +PJ033644 GGAKHRR C31H56N16O8 780.4468 NA PeJP NA NA +PJ033645 TTLKRY C35H60N10O10 780.4494 NA PeJP NA NA +PJ033646 FFRRR C36H56N14O6 780.4508 NA PeJP NA NA +PJ033647 APPVVLW C40H60N8O8 780.4534 NA PeJP NA NA +MJ094144 Axinastatin 1; 4-L-Isoleucine, 5-L-leucine analogue C40H60N8O8 780.45341 NA MeJP NA NA +PJ033648 GPPVLLW C40H60N8O8 780.4535 NA PeJP NA NA +MJ094145 Factumycin; 14E-Isomer, 5,6-dihydro C44H64N2O10 780.456096 NA MeJP NA NA +PJ033649 VLKKMY C37H64N8O8S 780.4568 NA PeJP NA NA +MJ094146 Edeine; Edeine F C34H60N12O9 780.460621 NA MeJP NA NA +PJ033650 VLKEHR C34H60N12O9 780.4607 NA PeJP NA NA +MJ094147 Fluvirucin B; Fluvirucin B3, 4'-Epimer, 2'-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] C37H68N2O15 780.461969 NA MeJP NA NA +PJ033651 PPLLRW C39H60N10O7 780.4647 NA PeJP NA NA +MJ094148 12-Oleanene-3,22-diol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H68O13 780.465992 NA MeJP NA NA +MJ094149 12-Oleanene-3,22-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H68O13 780.465992 NA MeJP NA NA +MJ094150 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-fucopyranoside] C42H68O13 780.465992 NA MeJP NA NA +MJ094151 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside] C42H68O13 780.465992 NA MeJP NA NA +MJ094152 13,28-Epoxy-11-oleanene-3,16-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] C42H68O13 780.465992 NA MeJP NA NA +MJ094153 16,22-Epoxycycloart-24-ene-3,26-diol, 3,26-Di-O-?-D-glucopyranoside C42H68O13 780.465992 NA MeJP NA NA +MJ094154 2,3-Dihydroxy-12-oleanen-28-oic acid, [?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl] ester C42H68O13 780.465992 NA MeJP NA NA +MJ094155 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] C42H68O13 780.465992 NA MeJP NA NA +MJ094156 3-Hydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H68O13 780.465992 NA MeJP NA NA +MJ094157 3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C42H68O13 780.465992 NA MeJP NA NA +MJ094158 5,19-Epoxycucurbita-6,23-diene-3,25-diol, 3-O-?-D-Allopyranoside, 25-O-?-D-glucopyranoside C42H68O13 780.465992 NA MeJP NA NA +MJ094159 Cucurbita-5,24-diene-3,11,26-triol, 11-Ketone, 26-O-[?-D-glucopyranosyl-(1?6)-glucopyranoside] C42H68O13 780.465992 NA MeJP NA NA +MJ094160 Cucurbita-5,24-diene-3,11,26-triol, 11-Ketone, 3,26-di-O-?-D-glucopyranoside C42H68O13 780.465992 NA MeJP NA NA +MJ094161 Cycloart-24-ene-3,6,16-triol, 6-Ketone, 3,16-di-O-?-D-glucopyranoside C42H68O13 780.465992 NA MeJP NA NA +MJ094162 Hederagenin 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C42H68O13 780.465992 NA MeJP NA NA +MJ094163 Hederagenin 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] C42H68O13 780.465992 NA MeJP NA NA +MJ094164 Jujubogenin; 3-O-?-D-Glucopyranoside, 20-O-?-L-rhamnopyranoside C42H68O13 780.465992 NA MeJP NA NA +MJ094165 Maduralide C42H68O13 780.465992 NA MeJP NA NA +MJ094166 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucopyranoside] C42H68O13 780.465992 NA MeJP NA NA +MJ094167 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-galactopyranoside] C42H68O13 780.465992 NA MeJP NA NA +MJ094168 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucopyranoside] C42H68O13 780.465992 NA MeJP NA NA +MJ094169 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] C42H68O13 780.465992 NA MeJP NA NA +MJ094170 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H68O13 780.465992 NA MeJP NA NA +MJ094171 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C42H68O13 780.465992 NA MeJP NA NA +MJ094172 Oleanolic acid bisdesmosides; Diglycosides, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester C42H68O13 780.465992 NA MeJP NA NA +MJ094173 Oleanolic acid glycosyl esters; Diglycosides, 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C42H68O13 780.465992 NA MeJP NA NA +C08790 Carnosifloside I C42H68O13 780.466 NA KEGG NA NA +C08975 Saikosaponin A C42H68O13 780.466 NA KEGG NA NA +PJ033652 CKKKKF C36H64N10O7S 780.468 NA PeJP NA NA +PJ033653 SLLHRR C33H60N14O8 780.4719 NA PeJP NA NA +PJ033654 PPVVLKE C37H64N8O10 780.4746 NA PeJP NA NA +PJ033655 LLLLFY C42H64N6O8 780.4786 NA PeJP NA NA +PJ033656 GKKHRR C32H60N16O7 780.4831 NA PeJP NA NA +PJ033657 SKKKKY C36H64N10O9 780.4858 NA PeJP NA NA +PJ033658 VLKKFF C41H64N8O7 780.4898 NA PeJP NA NA +PJ033659 GPPVKKR C35H64N12O8 780.497 NA PeJP NA NA +PJ033660 PPKKRR C34H64N14O7 780.5083 NA PeJP NA NA +PJ033661 PPTLLLK C38H68N8O9 780.511 NA PeJP NA NA +PJ033662 GPLLLLR C37H68N10O8 780.5222 NA PeJP NA NA +PJ033663 LKKKKH C36H68N12O7 780.5334 NA PeJP NA NA +MJ094174 Antibiotic 1308 C44H76O11 780.538763 NA MeJP NA NA +PJ033664 PVVLLLK C39H72N8O8 780.5473 NA PeJP NA NA +MJ094175 Siphonaxanthin; 19-O-(2E-Dodecenoyl) C52H76O5 780.569275 NA MeJP NA NA +MJ094176 1,2-Di-O-acylglycerols; Glycerol 1-(9Z,12Z-octadecadienoate) 2-(9Z-octadecenoate), 3-O-?-D-Galactopyranoside C45H80O10 780.575148 NA MeJP NA NA +MJ094177 1,2-Di-O-acylglycerols; Glycerol 2-(9Z,12Z,15Z-octadecatrienoate) 1-octadecanoate, 3-O-?-D-Galactopyranoside C45H80O10 780.575148 NA MeJP NA NA +MetaCyc04134 3-demethylubiquinone-9 [] C53H80O4 780.605661 NA metacyc NA NA +C03226 3-Demethylubiquinone-9 C53H80O4 780.6057 NA KEGG NA NA +EUR1090 SM(d18:1/20:0) [M+Na]+ C43H87N2O6P 780.612122 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1090 SM(d18:1/20:0) [M+Na]+ C43H87N2O6P 780.612122 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1090 SM(d18:1/20:0) [M+Na]+ C43H87N2O6P 780.612122 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1090 SM(d18:1/20:0) [M+Na]+ C43H87N2O6P 780.612122 masses lipides attendues Inhousejuil11 NA NA +HMDB13468 SM(d18:0/22:3(10Z,13Z,16Z)) C45H85N2O6P 780.614502 NA HMDB2010 NA NA +MJ094178 20(29)-Lupen-3-ol, 3,5-Dihydroxydocosanoyl C52H92O4 780.699561 NA MeJP NA NA +MJ094179 20(29)-Lupene-3,7,15-triol, 3-Docosanoyl C52H92O4 780.699561 NA MeJP NA NA +MJ094180 9-[(8,10,26-Heptacosatrien-7-yl)oxy]-7,26-heptacosadien-10-ol C54H100O2 780.772332 NA MeJP NA NA +2639 synthetic fr, of human beta-CN (40-52) ACE inhibitor IYPSFQPQPLIYP 780.901 MH2+ Inhouse_peptide NA peptide +5451 caeridin 4 GLLDVVGNVLHSLGLG 780.9339 MH2+ Inhouse_peptide NA peptide +PJ033665 GCCCCMY C28H43N7O9S5 781.1726 NA PeJP NA NA +PJ033666 SCCCDDH C26H39N9O13S3 781.183 NA PeJP NA NA +PJ033667 PCCDDDD C27H39N7O16S2 781.1895 NA PeJP NA NA +PJ033668 STCCCCY C28H43N7O11S4 781.1904 NA PeJP NA NA +PJ033669 GCCCEMH C27H43N9O10S4 781.2016 NA PeJP NA NA +PJ033670 GCCCCFF C32H43N7O8S4 781.2056 NA PeJP NA NA +PJ033671 GDDDDDM C27H39N7O18S 781.2073 NA PeJP NA NA +PJ033672 CCCMHW C31H43N9O7S4 781.2169 NA PeJP NA NA +PJ033673 SCNNDDD C26H39N9O17S 781.2185 NA PeJP NA NA +PJ033674 SSCCDMH C27H43N9O12S3 781.2194 NA PeJP NA NA +PJ033675 CDDDEW C31H39N7O15S 781.2225 NA PeJP NA NA +PJ033676 CCCQYY C32H43N7O10S3 781.2234 NA PeJP NA NA +PJ033677 SSDDDDE C27H39N7O20 781.225 NA PeJP NA NA +PJ033678 SPCDDDM C28H43N7O15S2 781.2259 NA PeJP NA NA +PJ033679 PPCCCEM C29H47N7O10S4 781.2268 NA PeJP NA NA +PJ033680 GPCCCNW C31H43N9O9S3 781.2346 NA PeJP NA NA +PJ033681 GCNNDEM C27H43N9O14S2 781.2371 NA PeJP NA NA +PJ033682 GTCCMMH C28H47N9O9S4 781.238 NA PeJP NA NA +PJ033683 GSSCCYY C32H43N7O12S2 781.2411 NA PeJP NA NA +PJ033684 GTDDDEM C28H43N7O17S 781.2436 NA PeJP NA NA +PJ033685 GSDDEEM C28H43N7O17S 781.2437 NA PeJP NA NA +PJ033686 GPCDEMM C29H47N7O12S3 781.2445 NA PeJP NA NA +PJ033687 SCCNNNQ C26H43N11O13S2 781.2483 NA PeJP NA NA +PJ033688 GCCNDDR C26H43N11O13S2 781.2484 NA PeJP NA NA +PJ033689 CNNDMW C31H43N9O11S2 781.2524 NA PeJP NA NA +PJ033690 SSNNDDM C27H43N9O16S 781.2549 NA PeJP NA NA +PJ033691 SSSCMMH C28H47N9O11S3 781.2557 NA PeJP NA NA +PJ033692 GGSPCCQM C28H47N9O11S3 781.2558 NA PeJP NA NA +PJ033693 SDDEMW C32H43N7O14S 781.2589 NA PeJP NA NA +PJ033694 PCDMMW C33H47N7O9S3 781.2598 NA PeJP NA NA +PJ033695 SSSDEEE C28H43N7O19 781.2614 NA PeJP NA NA +PJ033696 NEEEMM C29H47N7O14S2 781.2623 NA PeJP NA NA +PJ033697 GSDDDHH C29H39N11O15 781.2628 NA PeJP NA NA +PJ033698 PPTCCMM C30H51N7O9S4 781.2631 NA PeJP NA NA +PJ033699 GPCCEHH C30H43N11O10S2 781.2636 NA PeJP NA NA +PJ033700 GSSSCNNN C26H43N11O15S 781.2661 NA PeJP NA NA +PJ033701 SPCCCNR C27H47N11O10S3 781.267 NA PeJP NA NA +PJ033702 GCCQWW C35H43N9O8S2 781.2676 NA PeJP NA NA +MJ094181 Antibiotic FCE 21424 C38H43N3O15 781.269417 NA MeJP NA NA +PJ033703 GSSCNEW C31H43N9O13S 781.2701 NA PeJP NA NA +PJ033704 GGGGGPCDY C31H43N9O13S 781.2702 NA PeJP NA NA +PJ033705 CNMMHF C32H47N9O8S3 781.271 NA PeJP NA NA +PJ033706 GSSSSNDE C27H43N9O18 781.2726 NA PeJP NA NA +PJ033707 DDDMMR C28H47N9O13S2 781.2735 NA PeJP NA NA +PJ033708 GCNYYY C36H43N7O11S 781.2741 NA PeJP NA NA +PJ033709 PCDDFW C36H43N7O11S 781.2742 NA PeJP NA NA +PJ033710 GSPDDEY C32H43N7O16 781.2767 NA PeJP NA NA +PJ033711 GEEMMW C33H47N7O11S2 781.2775 NA PeJP NA NA +PJ033712 PCCHHW C34H43N11O7S2 781.2789 NA PeJP NA NA +PJ033713 GSTEEEM C29H47N7O16S 781.28 NA PeJP NA NA +PJ033714 GSPEMMM C30H51N7O11S3 781.2809 NA PeJP NA NA +PJ033715 GCNNNNF C30H43N11O12S 781.2814 NA PeJP NA NA +MJ094182 17-Hydroxydihydromyrsinol; 3,7,14-Tris(3-pyridinecarbonyl), 5,15-di-Ac C42H43N3O12 781.284673 NA MeJP NA NA +PJ033716 GSCNDMR C27H47N11O12S2 781.2847 NA PeJP NA NA +PJ033717 GGGSCDMR C27H47N11O12S2 781.2848 NA PeJP NA NA +PJ033718 SSCNWW C35H43N9O10S 781.2854 NA PeJP NA NA +PJ033719 SSSSNDW C31H43N9O15 781.2879 NA PeJP NA NA +PJ033720 SCQQMW C32H47N9O10S2 781.2887 NA PeJP NA NA +PJ033721 SNNMMW C32H47N9O10S2 781.2888 NA PeJP NA NA +PJ033722 SSSNQEM C28H47N9O15S 781.2913 NA PeJP NA NA +PJ033723 SPDDYW C36H43N7O13 781.2919 NA PeJP NA NA +PJ033724 NQQMMM C29H51N9O10S3 781.2921 NA PeJP NA NA +PJ033725 GGGGAAMMM C29H51N9O10S3 781.2922 NA PeJP NA NA +PJ033726 CDDHHR C29H43N13O11S 781.2926 NA PeJP NA NA +PJ033727 EMMWW C37H47N7O8S2 781.2928 NA PeJP NA NA +PJ033728 STEEMW C33H47N7O13S 781.2953 NA PeJP NA NA +PJ033729 SPMMMW C34H51N7O8S3 781.2961 NA PeJP NA NA +PJ033730 GPPCMMF C34H51N7O8S3 781.2962 NA PeJP NA NA +PJ033731 GDMHHW C34H43N11O9S 781.2966 NA PeJP NA NA +PJ033732 SSTTEEE C29H47N7O18 781.2978 NA PeJP NA NA +PJ033733 SSPTEMM C30H51N7O13S2 781.2986 NA PeJP NA NA +PJ033734 DKEEMM C30H51N7O13S2 781.2987 NA PeJP NA NA +PJ033735 GSNNNNY C30H43N11O14 781.2991 NA PeJP NA NA +PJ033736 GGGGGGGGGSY C30H43N11O14 781.2992 NA PeJP NA NA +PJ033737 AAPMMMM C31H55N7O8S4 781.2995 NA PeJP NA NA +PJ033738 SCCQRW C31H47N11O9S2 781.3 NA PeJP NA NA +PJ033739 SSSCNER C27H47N11O14S 781.3025 NA PeJP NA NA +PJ033740 GNNEYW C35H43N9O12 781.3031 NA PeJP NA NA +PJ033741 GGGNEYW C35H43N9O12 781.3032 NA PeJP NA NA +PJ033742 CNQMMR C28H51N11O9S3 781.3034 NA PeJP NA NA +PJ033743 GCCKWW C36H47N9O7S2 781.304 NA PeJP NA NA +PJ033744 GSSSQMW C32H47N9O12S 781.3065 NA PeJP NA NA +PJ033745 DEFWW C40H43N7O10 781.3072 NA PeJP NA NA +PJ033746 GSSSSTQE C28H47N9O17 781.309 NA PeJP NA NA +PJ033747 SEEMMR C29H51N9O12S2 781.3099 NA PeJP NA NA +PJ033748 SSSNNHH C29H43N13O13 781.3104 NA PeJP NA NA +PJ033749 GPEMYW C37H47N7O10S 781.3105 NA PeJP NA NA +PJ033750 VNEEEY C33H47N7O15 781.313 NA PeJP NA NA +PJ033751 GGVEEEY C33H47N7O15 781.3131 NA PeJP NA NA +PJ033752 SVEMMW C34H51N7O10S2 781.3139 NA PeJP NA NA +PJ033753 SSEHHW C34H43N11O11 781.3144 NA PeJP NA NA +PJ033754 CCNMRR C27H51N13O8S3 781.3146 NA PeJP NA NA +PJ033755 SSSLEEM C30H51N7O15S 781.3164 NA PeJP NA NA +PJ033756 LQEMMM C31H55N7O10S3 781.3173 NA PeJP NA NA +PJ033757 GSSSCRW C31H47N11O11S 781.3177 NA PeJP NA NA +PJ033758 GGCNEFR C31H47N11O11S 781.3178 NA PeJP NA NA +PJ033759 NNYWW C39H43N9O9 781.3184 NA PeJP NA NA +PJ033760 GSSSSSDR C27H47N11O16 781.3203 NA PeJP NA NA +PJ033761 GSSNMMR C28H51N11O11S2 781.3211 NA PeJP NA NA +PJ033762 GNQMFW C36H47N9O9S 781.3218 NA PeJP NA NA +PJ033763 SSSSTQW C32H47N9O14 781.3243 NA PeJP NA NA +PJ033764 SCQKMW C33H51N9O9S2 781.3251 NA PeJP NA NA +PJ033765 GGTCKMW C33H51N9O9S2 781.3252 NA PeJP NA NA +PJ033766 NNNHHF C33H43N13O10 781.3256 NA PeJP NA NA +PJ033767 PMYWW C41H47N7O7S 781.3258 NA PeJP NA NA +PJ033768 SSSNKEM C29H51N9O14S 781.3276 NA PeJP NA NA +PJ033769 GGSSTDKM C29H51N9O14S 781.3277 NA PeJP NA NA +PJ033770 GVEEYW C37H47N7O12 781.3283 NA PeJP NA NA +PJ033771 VDMMMR C30H55N9O9S3 781.3285 NA PeJP NA NA +PJ033772 SDMHHR C30H47N13O10S 781.329 NA PeJP NA NA +PJ033773 APMMFW C38H51N7O7S2 781.3292 NA PeJP NA NA +PJ033774 PDKEMY C34H51N7O12S 781.3317 NA PeJP NA NA +PJ033775 GSTCCRR C27H51N13O10S2 781.3324 NA PeJP NA NA +PJ033776 ALMMMW C35H55N7O7S3 781.3325 NA PeJP NA NA +PJ033777 GCNFRW C35H47N11O8S 781.333 NA PeJP NA NA +PJ033778 TTTTTEE C30H51N7O17 781.3342 NA PeJP NA NA +PJ033779 GTTLEMM C31H55N7O12S2 781.335 NA PeJP NA NA +PJ033780 SNNERY C31H47N11O13 781.3355 NA PeJP NA NA +PJ033781 SCCKRW C32H51N11O8S2 781.3364 NA PeJP NA NA +PJ033782 SQHHHH C32H43N15O9 781.3369 NA PeJP NA NA +PJ033783 SSSSQMR C28H51N11O13S 781.3389 NA PeJP NA NA +PJ033784 EERYW C36H47N9O11 781.3395 NA PeJP NA NA +PJ033785 GGGPPPDW C36H47N9O11 781.3396 NA PeJP NA NA +PJ033786 CNKMMR C29H55N11O8S3 781.3398 NA PeJP NA NA +7688 ACE inhibitor from ovalbumin FGRCVSP 781.342 antioxidative Inhouse_peptide NA peptide +PJ033787 GSSSKMW C33H51N9O11S 781.3429 NA PeJP NA NA +PJ033788 LDYWW C41H47N7O9 781.3435 NA PeJP NA NA +PJ033789 VEYWW C41H47N7O9 781.3436 NA PeJP NA NA +PJ033790 GSSSSTKE C29H51N9O16 781.3454 NA PeJP NA NA +PJ033791 GSTQKMM C30H55N9O11S2 781.3463 NA PeJP NA NA +PJ033792 GSPNDHR C30H47N13O12 781.3467 NA PeJP NA NA +PJ033793 GGGSPDHR C30H47N13O12 781.3468 NA PeJP NA NA +PJ033794 SPVMYW C38H51N7O9S 781.3469 NA PeJP NA NA +PJ033795 AMMHHR C31H51N13O7S2 781.3476 NA PeJP NA NA +PJ033796 VDKEEY C34H51N7O14 781.3494 NA PeJP NA NA +PJ033797 SSSSCRR C27H51N13O12S 781.3501 NA PeJP NA NA +PJ033798 TTLMMW C35H55N7O9S2 781.3503 NA PeJP NA NA +PJ033799 GSNRYW C35H47N11O10 781.3508 NA PeJP NA NA +PJ033800 STTTLEM C31H55N7O14S 781.3528 NA PeJP NA NA +PJ033801 LKEMMM C32H59N7O9S3 781.3537 NA PeJP NA NA +PJ033802 GQQMRY C32H51N11O10S 781.3541 NA PeJP NA NA +PJ033803 GGGAAMRY C32H51N11O10S 781.3542 NA PeJP NA NA +PJ033804 GQHFFF C40H47N9O8 781.3548 NA PeJP NA NA +PJ033805 GSSSSTTR C28H51N11O15 781.3566 NA PeJP NA NA +PJ033806 GSTCKMR C29H55N11O10S2 781.3575 NA PeJP NA NA +PJ033807 NNNQHR C29H47N15O11 781.358 NA PeJP NA NA +PJ033808 GNKMFW C37H51N9O8S 781.3582 NA PeJP NA NA +PJ033809 PFFWW C45H47N7O6 781.3588 NA PeJP NA NA +PJ033810 SSSSTKW C33H51N9O13 781.3606 NA PeJP NA NA +PJ033811 SVEERY C33H51N9O13 781.3607 NA PeJP NA NA +PJ033812 SCKKMW C34H55N9O8S2 781.3615 NA PeJP NA NA +PJ033813 GEHHFR C34H47N13O9 781.362 NA PeJP NA NA +PJ033814 LMFWW C42H51N7O6S 781.3622 NA PeJP NA NA +PJ033815 SSSDKKM C30H55N9O13S 781.364 NA PeJP NA NA +PJ033816 ATLEYW C38H51N7O11 781.3647 NA PeJP NA NA +PJ033817 TLMMMR C31H59N9O8S3 781.3649 NA PeJP NA NA +PJ033818 GCQRRY C31H51N13O9S 781.3654 NA PeJP NA NA +PJ033819 GVHHFW C39H47N11O7 781.366 NA PeJP NA NA +PJ033820 GPTTLMY C35H55N7O11S 781.368 NA PeJP NA NA +PJ033821 VLQEMY C35H55N7O11S 781.3681 NA PeJP NA NA +PJ033822 SSTLLMM C32H59N7O11S2 781.3714 NA PeJP NA NA +PJ033823 SNDKRY C32H51N11O12 781.3719 NA PeJP NA NA +PJ033824 VKMMHH C33H55N11O7S2 781.3728 NA PeJP NA NA +PJ033825 SKHHHH C33H47N15O8 781.3732 NA PeJP NA NA +PJ033826 SSSSKMR C29H55N11O12S 781.3753 NA PeJP NA NA +PJ033827 GTQKYW C37H51N9O10 781.3759 NA PeJP NA NA +PJ033828 PCNHRR C30H51N15O8S 781.3766 NA PeJP NA NA +PJ033829 HHFRW C38H47N13O6 781.3773 NA PeJP NA NA +PJ033830 ALEMRY C34H55N9O10S 781.3793 NA PeJP NA NA +PJ033831 GPLFYW C42H51N7O8 781.3799 NA PeJP NA NA +PJ033832 GAPPFFF C42H51N7O8 781.38 NA PeJP NA NA +PJ033833 SSSSSSLK C30H55N9O15 781.3818 NA PeJP NA NA +PJ033834 GSTKKMM C31H59N9O10S2 781.3827 NA PeJP NA NA +PJ033835 SSNRRY C31H51N13O11 781.3831 NA PeJP NA NA +PJ033836 GGGGLEHR C31H51N13O11 781.3832 NA PeJP NA NA +PJ033837 GLLMYW C39H55N7O8S 781.3833 NA PeJP NA NA +PJ033838 TLKEEY C35H55N7O13 781.3858 NA PeJP NA NA +PJ033839 PLKMMY C36H59N7O8S2 781.3867 NA PeJP NA NA +PJ033840 SPQKHW C36H51N11O9 781.3871 NA PeJP NA NA +PJ033841 PTNKHW C36H51N11O9 781.3872 NA PeJP NA NA +MJ094183 Eurocidin C C39H59NO15 781.38847 NA MeJP NA NA +PJ033842 GQKMRY C33H55N11O9S 781.3905 NA PeJP NA NA +PJ033843 PPVHFW C41H51N9O7 781.3912 NA PeJP NA NA +PJ033844 GQEHRR C30H51N15O10 781.3944 NA PeJP NA NA +PJ033845 ACKKFW C38H55N9O7S 781.3946 NA PeJP NA NA +PJ033846 TTLERY C34H55N9O12 781.397 NA PeJP NA NA +PJ033847 GGGSTLKY C34H55N9O12 781.3971 NA PeJP NA NA +PJ033848 VVMMFR C35H59N9O7S2 781.3979 NA PeJP NA NA +PJ033849 GVQHRW C35H51N13O8 781.3984 NA PeJP NA NA +PJ033850 SSTTKKM C31H59N9O12S 781.4004 NA PeJP NA NA +PJ033851 STLLYW C39H55N7O10 781.4011 NA PeJP NA NA +PJ033852 GCKRRY C32H55N13O8S 781.4018 NA PeJP NA NA +PJ033853 VLKEMY C36H59N7O10S 781.4044 NA PeJP NA NA +PJ033854 PPPVLEM C36H59N7O10S 781.4045 NA PeJP NA NA +PJ033855 STQKRY C33H55N11O11 781.4083 NA PeJP NA NA +PJ033856 QHRRW C34H51N15O7 781.4096 NA PeJP NA NA +PJ033857 GTKKYW C38H55N9O9 781.4123 NA PeJP NA NA +PJ033858 SLLMRY C35H59N9O9S 781.4157 NA PeJP NA NA +PJ033859 GLLFFW C43H55N7O7 781.4163 NA PeJP NA NA +PJ033860 PPQERR C32H55N13O10 781.4195 NA PeJP NA NA +PJ033861 PLKMFF C40H59N7O7S 781.4197 NA PeJP NA NA +PJ033862 SSSLLLY C36H59N7O12 781.4222 NA PeJP NA NA +PJ033863 LLKMMF C37H63N7O7S2 781.4231 NA PeJP NA NA +PJ033864 PPVQRW C37H55N11O8 781.4235 NA PeJP NA NA +PJ033865 GGPPLRW C37H55N11O8 781.4236 NA PeJP NA NA +PJ033866 GKKMRY C34H59N11O8S 781.4269 NA PeJP NA NA +PJ033867 GKEHRR C31H55N15O9 781.4308 NA PeJP NA NA +PJ033868 SKKKEY C35H59N9O11 781.4334 NA PeJP NA NA +PJ033869 GAAPPLKE C35H59N9O11 781.4335 NA PeJP NA NA +PJ033870 APPRRW C36H55N13O7 781.4348 NA PeJP NA NA +PJ033871 VLLQFY C40H59N7O9 781.4374 NA PeJP NA NA +PJ033872 PVLKYY C40H59N7O9 781.4375 NA PeJP NA NA +PJ033873 GTHRRR C30H55N17O8 781.442 NA PeJP NA NA +PJ033874 STKKRY C34H59N11O10 781.4447 NA PeJP NA NA +PJ033875 KHRRW C35H55N15O6 781.446 NA PeJP NA NA +MJ094184 Cyclogossin B C39H59N9O8 781.448659 NA MeJP NA NA +PJ033876 TLLLHW C39H59N9O8 781.4487 NA PeJP NA NA +PJ033877 CLKKKY C36H63N9O8S 781.4521 NA PeJP NA NA +PJ033878 PPKERR C33H59N13O9 781.4559 NA PeJP NA NA +PJ033879 PPTLLLE C37H63N7O11 781.4586 NA PeJP NA NA +PJ033880 PPVKRW C38H59N11O7 781.4599 NA PeJP NA NA +MJ094185 Tetrafibricin C41H67NO13 781.461241 NA MeJP NA NA +PJ033881 LLLMHR C35H63N11O7S 781.4633 NA PeJP NA NA +PJ033882 PPTRRR C32H59N15O8 781.4671 NA PeJP NA NA +PJ033883 SSLLLLH C36H63N9O10 781.4698 NA PeJP NA NA +PJ033884 VLLKFY C41H63N7O8 781.4738 NA PeJP NA NA +PJ033885 PPPVLLF C41H63N7O8 781.4739 NA PeJP NA NA +PJ033886 PPVLLLM C38H67N7O8S 781.4772 NA PeJP NA NA +PJ033887 APPTLKR C35H63N11O9 781.4811 NA PeJP NA NA +HMDB12372 PS(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C42H72NO10P 781.48938 NA HMDB2010 NA NA +HMDB12403 PS(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) C42H72NO10P 781.48938 NA HMDB2010 NA NA +HMDB12413 PS(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) C42H72NO10P 781.48938 NA HMDB2010 NA NA +HMDB12432 PS(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)) C42H72NO10P 781.48938 NA HMDB2010 NA NA +PJ033888 PLLQRR C34H63N13O8 781.4923 NA PeJP NA NA +PJ033889 PVVLLLE C38H67N7O10 781.495 NA PeJP NA NA +PJ033890 PVVRRR C33H63N15O7 781.5035 NA PeJP NA NA +PJ033891 SPPLLKK C37H67N9O9 781.5062 NA PeJP NA NA +PJ033892 GPVLLKR C36H67N11O8 781.5174 NA PeJP NA NA +PJ033893 PLLKRR C35H67N13O7 781.5287 NA PeJP NA NA +PJ033894 PTLLLLL C39H71N7O9 781.5314 NA PeJP NA NA +PJ033895 APLLLKK C38H71N9O8 781.5426 NA PeJP NA NA +EUR940 PC 34:1 [M+Na]+ C42H82NO8P 781.559753 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1030 16:0-18:1 PC [M+Na]+ C42H82NO8P 781.559753 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR940 PC 34:1 [M+Na]+ C42H82NO8P 781.559753 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1030 16:0-18:1 PC [M+Na]+ C42H82NO8P 781.559753 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR940 PC 34:1 [M+Na]+ C42H82NO8P 781.559753 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1030 16:0-18:1 PC [M+Na]+ C42H82NO8P 781.559753 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR940 PC 34:1 [M+Na]+ C42H82NO8P 781.559753 masses lipides attendues Inhousejuil11 NA NA +EUR1030 16:0-18:1 PC [M+Na]+ C42H82NO8P 781.559753 masses lipides attendues Inhousejuil11 NA NA +HMDB07889 PC(14:0/22:4(7Z,10Z,13Z,16Z)) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB07982 PC(16:0/20:4(5Z,8Z,11Z,14Z)) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB07983 PC(16:0/20:4(8Z,11Z,14Z,17Z)) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08013 PC(16:1(9Z)/20:3(5Z,8Z,11Z)) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08014 PC(16:1(9Z)/20:3(8Z,11Z,14Z)) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08042 PC(18:0/18:4(6Z,9Z,12Z,15Z)) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08073 PC(18:1(11Z)/18:3(6Z,9Z,12Z)) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08074 PC(18:1(11Z)/18:3(9Z,12Z,15Z)) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08106 PC(18:1(9Z)/18:3(6Z,9Z,12Z)) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08107 PC(18:1(9Z)/18:3(9Z,12Z,15Z)) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08138 PC(18:2(9Z,12Z)/18:2(9Z,12Z)) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08169 PC(18:3(6Z,9Z,12Z)/18:1(11Z)) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08170 PC(18:3(6Z,9Z,12Z)/18:1(9Z)) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08202 PC(18:3(9Z,12Z,15Z)/18:1(11Z)) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08203 PC(18:3(9Z,12Z,15Z)/18:1(9Z)) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08234 PC(18:4(6Z,9Z,12Z,15Z)/18:0) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08365 PC(20:3(5Z,8Z,11Z)/16:1(9Z)) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08398 PC(20:3(8Z,11Z,14Z)/16:1(9Z)) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08429 PC(20:4(5Z,8Z,11Z,14Z)/16:0) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08462 PC(20:4(8Z,11Z,14Z,17Z)/16:0) C44H80NO8P 781.562134 NA HMDB2010 NA NA +HMDB08623 PC(22:4(7Z,10Z,13Z,16Z)/14:0) C44H80NO8P 781.562134 NA HMDB2010 NA NA +EUR689 PC(36:4) monoisotopic mass C44H80NO8P 781.562157 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR974 PC 36:4 monoisotopic mass C44H80NO8P 781.562157 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR689 PC(36:4) monoisotopic mass C44H80NO8P 781.562157 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR974 PC 36:4 monoisotopic mass C44H80NO8P 781.562157 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR689 PC(36:4) monoisotopic mass C44H80NO8P 781.562157 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR974 PC 36:4 monoisotopic mass C44H80NO8P 781.562157 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR689 PC(36:4) monoisotopic mass C44H80NO8P 781.562157 masses lipides attendues Inhousejuil11 NA NA +EUR974 PC 36:4 monoisotopic mass C44H80NO8P 781.562157 masses lipides attendues Inhousejuil11 NA NA +PJ033896 VVLLLLL C40H75N7O8 781.5677 NA PeJP NA NA +HMDB09578 PE(22:2(13Z,16Z)/P-18:1(11Z)) C45H84NO7P 781.598511 NA HMDB2010 NA NA +HMDB09579 PE(22:2(13Z,16Z)/P-18:1(9Z)) C45H84NO7P 781.598511 NA HMDB2010 NA NA +HMDB11423 PE(P-18:1(11Z)/22:2(13Z,16Z)) C45H84NO7P 781.598511 NA HMDB2010 NA NA +HMDB11456 PE(P-18:1(9Z)/22:2(13Z,16Z)) C45H84NO7P 781.598511 NA HMDB2010 NA NA +MJ094186 2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxyeicosanoyl), 1-O-?-D-glucopyranoside C45H83NO9 781.606783 NA MeJP NA NA +MJ094187 Stibocaptate C12H12O12S6Sb2 781.672936 NA MeJP NA NA +3036 insulin secretion inhibitor YNVEHAVDYVERA 781.8584 MH2+ Inhouse_peptide NA peptide +MJ094188 Emblicanin A C34H22O22 782.060272 NA MeJP NA NA +MJ094189 Isoterchebulin; 2,3-De-O-(hexahydroxydiphenoyl) C34H22O22 782.060272 NA MeJP NA NA +MJ094190 Punicalin C34H22O22 782.060272 NA MeJP NA NA +MJ094191 3,3',4',5,7-Pentahydroxyflavylium(1+); 3,5-Bis-O-(O-malonyl-?-D-glucopyranoside) C33H35O22(+) 782.154172 NA MeJP NA NA +PJ033897 SCCCCQH C26H42N10O10S4 782.1968 NA PeJP NA NA +PJ033898 GGTCCCCH C26H42N10O10S4 782.1969 NA PeJP NA NA +MJ094192 Diazonamide B; Debromo, N2-(2-amino-3-methylbutanoyl) C40H36Cl2N6O7 782.202252 NA MeJP NA NA +PJ033899 SCNDDDD C26H38N8O18S 782.2025 NA PeJP NA NA +PJ033900 PCCCNDE C27H42N8O13S3 782.2034 NA PeJP NA NA +MJ094193 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-[6-O-acetyl-?-D-glucopyranoside] C38H39O18(+) 782.205814 NA MeJP NA NA +PJ033901 CCCEYY C32H42N6O11S3 782.2074 NA PeJP NA NA +PJ033902 GSSSCCCH C26H42N10O12S3 782.2146 NA PeJP NA NA +PJ033903 GPCCCDW C31H42N8O10S3 782.2186 NA PeJP NA NA +PJ033904 GCNDDEM C27H42N8O15S2 782.2211 NA PeJP NA NA +PJ033905 GGGCDDEM C27H42N8O15S2 782.2212 NA PeJP NA NA +PJ033906 GPPTCCCC C28H46N8O10S4 782.222 NA PeJP NA NA +FL5FAAGA0040 Kaempferol 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside C35H42O20 782.22694 154623-30-0 knapsack NA NA +FL5FAAGA0041 Kaempferol 3-rhamnosyl-(1->4)(3'''-acetylrhamnosyl)(1->6)-galactoside C35H42O20 782.22694 128308-96-3 knapsack NA NA +FL5FAAGA0042 Kaempferol 3-rhamnosyl-(1->2)(6''-acetylgalactoside)-7-rhamnoside C35H42O20 782.22694 124027-50-5 knapsack NA NA +FL5FAAGS0125 Kaempferol 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-glucoside;3-[(O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-4-O-acetyl-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one C35H42O20 782.22694 312731-17-2 knapsack NA NA +FL5FAAGS0127 Kaempferol 3-[2Gal-(4'''-acetylrhamnosyl)-robinobioside];3-[(O-4-O-acetyl-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C35H42O20 782.22694 263368-71-4 knapsack NA NA +MJ094194 Loganic acid; 7-O-[2,3-Dihydroxybenzoyl-(?6)-?-D-glucopyranoside], 2,3-dihydroxyphenyl ester C35H42O20 782.226943 NA MeJP NA NA +MJ094195 Sweroside; 4'-O-[?-D-Glucopyranosyl-(?3)-2,3-dihydroxybenzoyl], 2',3',6'-tri-Ac C35H42O20 782.226943 NA MeJP NA NA +MJ094196 Trifolin; 6''-O-[?-L-Rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl] C35H42O20 782.226943 NA MeJP NA NA +MJ094197 Trifolin; 6''-O-[?-L-Rhamnopyranosyl-(1?4)-3-O-acetyl-?-L-rhamnopyranosyl] C35H42O20 782.226943 NA MeJP NA NA +MJ094198 ?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-galactopyranoside] C35H42O20 782.226943 NA MeJP NA NA +PJ033907 GCCCNHF C30H42N10O9S3 782.2299 NA PeJP NA NA +PJ033908 GCCDDDR C26H42N10O14S2 782.2324 NA PeJP NA NA +PJ033909 SCCCCKH C27H46N10O9S4 782.2332 NA PeJP NA NA +PJ033910 CNDDMW C31H42N8O12S2 782.2364 NA PeJP NA NA +PJ033911 SSNDDDM C27H42N8O17S 782.2389 NA PeJP NA NA +PJ033912 SPCCNEM C28H46N8O12S3 782.2398 NA PeJP NA NA +PJ033913 CMMMMH C29H50N8O7S5 782.2406 NA PeJP NA NA +PJ033914 TCCMYY C33H46N6O10S3 782.2438 NA PeJP NA NA +PJ033915 DEEEMM C29H46N6O15S2 782.2463 NA PeJP NA NA +PJ033916 GSCCNNW C30H42N10O11S2 782.2476 NA PeJP NA NA +PJ033917 GSSSCNND C26H42N10O16S 782.2501 NA PeJP NA NA +PJ033918 SPCCCDR C27H46N10O11S3 782.251 NA PeJP NA NA +PJ033919 ACCDWW C35H42N8O9S2 782.2516 NA PeJP NA NA +PJ033920 GCCEWW C35H42N8O9S2 782.2517 NA PeJP NA NA +PJ033921 ASSCDDW C31H42N8O14S 782.2541 NA PeJP NA NA +PJ033922 GSSCDEW C31H42N8O14S 782.2542 NA PeJP NA NA +PJ033923 GSPCCMW C32H46N8O9S3 782.255 NA PeJP NA NA +PJ033924 ASSSSDDD C27H42N8O19 782.2566 NA PeJP NA NA +PJ033925 GSSSSDDE C27H42N8O19 782.2567 NA PeJP NA NA +PJ033926 GSNDEMM C28H46N8O14S2 782.2575 NA PeJP NA NA +PJ033927 GCDYYY C36H42N6O12S 782.2582 NA PeJP NA NA +PJ033928 GPCNMMM C29H50N8O9S4 782.2584 NA PeJP NA NA +PJ033929 DDEEEF C32H42N6O17 782.2607 NA PeJP NA NA +PJ033930 GCCCNQR C26H46N12O10S3 782.2622 NA PeJP NA NA +PJ033931 GGGGACCCR C26H46N12O10S3 782.2623 NA PeJP NA NA +MJ094199 3-(4-Hydroxyphenyl)-2-propen-1-ol, 1-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C36H46O19 782.263329 NA MeJP NA NA +MJ094200 Sucrose; 3',6-Bis-O-(3,4,5-trimethoxycinnamoyl)(E,E-) C36H46O19 782.263329 NA MeJP NA NA +PJ033932 GCNNNDF C30H42N10O13S 782.2654 NA PeJP NA NA +PJ033933 CCWWW C39H42N8O6S2 782.2669 NA PeJP NA NA +PJ033934 SSCNNQM C27H46N10O13S2 782.2687 NA PeJP NA NA +PJ033935 GSCDDMR C27H46N10O13S2 782.2688 NA PeJP NA NA +PJ033936 SSCDWW C35H42N8O11S 782.2694 NA PeJP NA NA +PJ033937 APCCCMR C28H50N10O8S4 782.2696 NA PeJP NA NA +PJ033938 SSSSDDW C31H42N8O16 782.2719 NA PeJP NA NA +PJ033939 SNDMMW C32H46N8O11S2 782.2728 NA PeJP NA NA +PJ033940 CCHHHF C33H42N12O7S2 782.2741 NA PeJP NA NA +PJ033941 SSSNEEM C28H46N8O16S 782.2753 NA PeJP NA NA +PJ033942 NQEMMM C29H50N8O11S3 782.2761 NA PeJP NA NA +PJ033943 GGGAEMMM C29H50N8O11S3 782.2762 NA PeJP NA NA +PJ033944 GSCNEHH C29H42N12O12S 782.2766 NA PeJP NA NA +PJ033945 GCMFYY C37H46N6O9S2 782.2768 NA PeJP NA NA +MJ094201 Insuloside C40H46O16 782.278585 NA MeJP NA NA +PJ033946 PDEEMY C33H46N6O14S 782.2793 NA PeJP NA NA +PJ033947 SSCCNNR C26H46N12O12S2 782.28 NA PeJP NA NA +PJ033948 GSNNNDY C30H42N10O15 782.2831 NA PeJP NA NA +PJ033949 GGGGGSNDY C30H42N10O15 782.2832 NA PeJP NA NA +PJ033950 SCCERW C31H46N10O10S2 782.284 NA PeJP NA NA +PJ033951 SSSCDER C27H46N10O15S 782.2865 NA PeJP NA NA +PJ033952 GNDEYW C35H42N8O13 782.2872 NA PeJP NA NA +PJ033953 CNEMMR C28H50N10O10S3 782.2874 NA PeJP NA NA +PJ033954 GTCMWW C36H46N8O8S2 782.288 NA PeJP NA NA +PJ033955 GSSSEMW C32H46N8O13S 782.2905 NA PeJP NA NA +PJ033956 GGGGEEMF C32H46N8O13S 782.2906 NA PeJP NA NA +PJ033957 GQMMMW C33H50N8O8S3 782.2914 NA PeJP NA NA +PJ033958 SCNHHW C33H42N12O9S 782.2919 NA PeJP NA NA +PJ033959 GSSSSTEE C28H46N8O18 782.293 NA PeJP NA NA +PJ033960 GSTQEMM C29H50N8O13S2 782.2939 NA PeJP NA NA +PJ033961 SSSNDHH C29H42N12O14 782.2944 NA PeJP NA NA +PJ033962 GSMYYY C37H46N6O11S 782.2945 NA PeJP NA NA +PJ033963 APCCKMM C30H54N8O8S4 782.2948 NA PeJP NA NA +PJ033964 NNMMHH C30H46N12O9S2 782.2952 NA PeJP NA NA +PJ033965 GGNMMHH C30H46N12O9S2 782.2953 NA PeJP NA NA +PJ033966 VDEEEY C33H46N6O16 782.2971 NA PeJP NA NA +PJ033967 PEEMMF C34H50N6O11S2 782.2979 NA PeJP NA NA +PJ033968 PNDDHW C34H42N10O12 782.2984 NA PeJP NA NA +PJ033969 CCDMRR C27H50N12O9S3 782.2986 NA PeJP NA NA +MJ094202 Bruceosin; 15-Deacyl, 15-(4-Acetoxy-3-ethyl-4-methyl-2E-pentenoyl), 2-O-?-D-glucopyranoside C37H50O18 782.299714 NA MeJP NA NA +PJ033970 LEEMMM C31H54N6O11S3 782.3013 NA PeJP NA NA +PJ033971 NNNQMY C31H46N10O12S 782.3018 NA PeJP NA NA +PJ033972 NDYWW C39H42N8O10 782.3024 NA PeJP NA NA +PJ033973 GCMMRW C32H50N10O7S3 782.3026 NA PeJP NA NA +PJ033974 SSSSSSNQ C27H46N10O17 782.3042 NA PeJP NA NA +PJ033975 GGSSSSSSQ C27H46N10O17 782.3043 NA PeJP NA NA +PJ033976 GSSDMMR C28H50N10O12S2 782.3051 NA PeJP NA NA +PJ033977 GGGGSSCKM C28H50N10O12S2 782.3052 NA PeJP NA NA +PJ033978 GNNNNNH C28H42N14O13 782.3056 NA PeJP NA NA +PJ033979 GGGGGGGGGGGH C28H42N14O13 782.3057 NA PeJP NA NA +PJ033980 SSSMWW C36H46N8O10S 782.3058 NA PeJP NA NA +PJ033981 CCQHHR C29H46N14O8S2 782.3065 NA PeJP NA NA +PJ033982 SSSSTEW C32H46N8O15 782.3083 NA PeJP NA NA +PJ033983 STQMMW C33H50N8O10S2 782.3091 NA PeJP NA NA +PJ033984 TTNMMW C33H50N8O10S2 782.3092 NA PeJP NA NA +PJ033985 NNDHHF C33H42N12O11 782.3096 NA PeJP NA NA +PJ033986 GGGGDHHF C33H42N12O11 782.3097 NA PeJP NA NA +PJ033987 GCFFFY C41H46N6O8S 782.3098 NA PeJP NA NA +PJ033988 SSTTQEM C29H50N8O15S 782.3116 NA PeJP NA NA +PJ033989 SSSDKEM C29H50N8O15S 782.3117 NA PeJP NA NA +PJ033990 SSTYYY C37H46N6O13 782.3123 NA PeJP NA NA +PJ033991 NKEMMM C30H54N8O10S3 782.3125 NA PeJP NA NA +PJ033992 CNNNRY C30H46N12O11S 782.313 NA PeJP NA NA +PJ033993 VEEEMF C34H50N6O13S 782.3157 NA PeJP NA NA +PJ033994 GCDFRW C35H46N10O9S 782.317 NA PeJP NA NA +PJ033995 SNDERY C31H46N10O14 782.3195 NA PeJP NA NA +PJ033996 STCMRW C32H50N10O9S2 782.3204 NA PeJP NA NA +PJ033997 SEHHHH C32H42N14O10 782.3209 NA PeJP NA NA +PJ033998 NMFWW C40H46N8O7S 782.321 NA PeJP NA NA +PJ033999 GGMFWW C40H46N8O7S 782.3211 NA PeJP NA NA +PJ034000 SSSSEMR C28H50N10O14S 782.3229 NA PeJP NA NA +PJ034001 GTQEYW C36H46N8O12 782.3235 NA PeJP NA NA +PJ034002 GGATEYW C36H46N8O12 782.3236 NA PeJP NA NA +PJ034003 SQMMMR C29H54N10O9S3 782.3238 NA PeJP NA NA +PJ034004 GSSCHHR C29H46N14O10S 782.3242 NA PeJP NA NA +PJ034005 PCCKFW C37H50N8O7S2 782.3244 NA PeJP NA NA +PJ034006 GSTTTMW C33H50N8O12S 782.3269 NA PeJP NA NA +PJ034007 QFYYY C41H46N6O10 782.3276 NA PeJP NA NA +PJ034008 GKMMMW C34H54N8O7S3 782.3278 NA PeJP NA NA +PJ034009 SSSSSSLE C29H50N8O17 782.3294 NA PeJP NA NA +PJ034010 GSTKEMM C30H54N8O12S2 782.3303 NA PeJP NA NA +PJ034011 SSSTQHH C30H46N12O13 782.3307 NA PeJP NA NA +PJ034012 GSPDDHR C30H46N12O13 782.3308 NA PeJP NA NA +PJ034013 PPEMFY C38H50N6O10S 782.3309 NA PeJP NA NA +PJ034014 APPCCHR C31H50N12O8S2 782.3316 NA PeJP NA NA +PJ034015 TLEEEY C34H50N6O15 782.3334 NA PeJP NA NA +PJ034016 PLEMMY C35H54N6O10S2 782.3343 NA PeJP NA NA +PJ034017 GSDRYW C35H46N10O11 782.3348 NA PeJP NA NA +PJ034018 SCMMRR C28H54N12O8S3 782.335 NA PeJP NA NA +PJ034019 ANEMRY C32H50N10O11S 782.3381 NA PeJP NA NA +PJ034020 GQEMRY C32H50N10O11S 782.3382 NA PeJP NA NA +PJ034021 TQYWW C40H46N8O9 782.3388 NA PeJP NA NA +PJ034022 CLHHHH C33H46N14O7S 782.3395 NA PeJP NA NA +PJ034023 SSSSSSNK C28H50N10O16 782.3406 NA PeJP NA NA +PJ034024 GGSSSSSSK C28H50N10O16 782.3407 NA PeJP NA NA +PJ034025 GSTTMMR C29H54N10O11S2 782.3415 NA PeJP NA NA +PJ034026 NNNEHR C29H46N14O12 782.342 NA PeJP NA NA +PJ034027 GVQMYW C37H50N8O9S 782.3422 NA PeJP NA NA +PJ034028 CCKHHR C30H50N14O7S2 782.3429 NA PeJP NA NA +PJ034029 SSTTTTW C33H50N8O14 782.3447 NA PeJP NA NA +PJ034030 STKMMW C34H54N8O9S2 782.3455 NA PeJP NA NA +PJ034031 APVCCKY C34H54N8O9S2 782.3456 NA PeJP NA NA +PJ034032 GQQQHW C34H46N12O10 782.346 NA PeJP NA NA +PJ034033 SSTTKEM C30H54N8O14S 782.348 NA PeJP NA NA +PJ034034 PVEEFY C38H50N6O12 782.3487 NA PeJP NA NA +PJ034035 DKKMMM C31H58N8O9S3 782.3489 NA PeJP NA NA +PJ034036 GCERRY C31H50N12O10S 782.3494 NA PeJP NA NA +PJ034037 GPTHWW C39H46N10O8 782.35 NA PeJP NA NA +MJ094203 Zaragozic acid D3; 8-Me ester, 8',9'-dihydro C42H54O14 782.351356 NA MeJP NA NA +PJ034038 VLEEMY C35H54N6O12S 782.3521 NA PeJP NA NA +PJ034039 QMRYW C36H50N10O8S 782.3534 NA PeJP NA NA +PJ034040 HFFFW C44H46N8O6 782.3541 NA PeJP NA NA +PJ034041 STQERY C32H50N10O13 782.3559 NA PeJP NA NA +PJ034042 AQMMFR C33H54N10O8S2 782.3568 NA PeJP NA NA +PJ034043 GNNHRW C33H46N14O9 782.3573 NA PeJP NA NA +PJ034044 SSTTTMR C29H54N10O13S 782.3593 NA PeJP NA NA +PJ034045 GTKEYW C37H50N8O11 782.3599 NA PeJP NA NA +PJ034046 GGGGLEFF C37H50N8O11 782.36 NA PeJP NA NA +PJ034047 SKMMMR C30H58N10O8S3 782.3601 NA PeJP NA NA +PJ034048 ACCCKKK C30H58N10O8S3 782.3602 NA PeJP NA NA +PJ034049 PCDHRR C30H50N14O9S 782.3606 NA PeJP NA NA +MJ094204 Tetrocarcin F; 9-Deglycosyl C41H54N2O13 782.362589 NA MeJP NA NA +PJ034050 VNKEMY C34H54N8O11S 782.3633 NA PeJP NA NA +PJ034051 KFYYY C42H50N6O9 782.3639 NA PeJP NA NA +PJ034052 PPPFYY C42H50N6O9 782.364 NA PeJP NA NA +PJ034053 CRRYW C35H50N12O7S 782.3646 NA PeJP NA NA +PJ034054 GPMHRW C35H50N12O7S 782.3647 NA PeJP NA NA +PJ034055 SSSSTTTL C30H54N8O16 782.3658 NA PeJP NA NA +PJ034056 SSSLKMM C31H58N8O11S2 782.3667 NA PeJP NA NA +PJ034057 SSDRRY C31H50N12O12 782.3671 NA PeJP NA NA +PJ034058 VNEEHR C31H50N12O12 782.3672 NA PeJP NA NA +PJ034059 PPLMYY C39H54N6O9S 782.3673 NA PeJP NA NA +PJ034060 ACMFRR C32H54N12O7S2 782.368 NA PeJP NA NA +PJ034061 LLEMMF C36H58N6O9S2 782.3707 NA PeJP NA NA +PJ034062 GTTRYW C36H50N10O10 782.3712 NA PeJP NA NA +MJ094205 3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-[6-Deoxy-3-O-methyl-?-L-glucopyranosyl-(1r4)-?-D-glucopyranoside], 6-Ac C39H58O16 782.372485 NA MeJP NA NA +PJ034063 GKEMRY C33H54N10O10S 782.3745 NA PeJP NA NA +PJ034064 GGGACKKY C33H54N10O10S 782.3746 NA PeJP NA NA +PJ034065 TKYWW C41H50N8O8 782.3752 NA PeJP NA NA +PJ034066 SSCCKKK C30H58N10O10S2 782.3779 NA PeJP NA NA +PJ034067 GEEHRR C30H50N14O11 782.3784 NA PeJP NA NA +PJ034068 GVKMYW C38H54N8O8S 782.3786 NA PeJP NA NA +PJ034069 SSPTTKY C34H54N8O13 782.381 NA PeJP NA NA +PJ034070 SKKEEY C34H54N8O13 782.3811 NA PeJP NA NA +MJ094206 Bianthrone A1 C50H54O8 782.381868 NA MeJP NA NA +MJ094207 Bianthrone A3a C50H54O8 782.381868 NA MeJP NA NA +PJ034071 VQKMMF C35H58N8O8S2 782.3819 NA PeJP NA NA +PJ034072 GVEHRW C35H50N12O9 782.3824 NA PeJP NA NA +PJ034073 TTTTTKM C31H58N8O13S 782.3844 NA PeJP NA NA +PJ034074 PVLEYY C39H54N6O11 782.3851 NA PeJP NA NA +PJ034075 GTMRRY C32H54N12O9S 782.3858 NA PeJP NA NA +PJ034076 AALHWW C40H50N10O7 782.3864 NA PeJP NA NA +PJ034077 SNNHRR C29H50N16O10 782.3896 NA PeJP NA NA +PJ034078 KMRYW C37H54N10O7S 782.3898 NA PeJP NA NA +PJ034079 STKERY C33H54N10O12 782.3923 NA PeJP NA NA +PJ034080 AKMMFR C34H58N10O7S2 782.3932 NA PeJP NA NA +PJ034081 EHRRW C34H50N14O8 782.3936 NA PeJP NA NA +PJ034082 GAPKHHH C34H50N14O8 782.3937 NA PeJP NA NA +C18095 Deltorphin B C38H54N8O10 782.3963 NA KEGG NA NA +PJ034083 SSLKYW C38H54N8O10 782.3963 NA PeJP NA NA +PJ034084 SPMHRR C31H54N14O8S 782.397 NA PeJP NA NA +PJ034085 VHRWW C39H50N12O6 782.3977 NA PeJP NA NA +PJ034086 VDKKMY C35H58N8O10S 782.3997 NA PeJP NA NA +PJ034087 PPLFFY C43H54N6O8 782.4003 NA PeJP NA NA +PJ034088 STTRRY C32H54N12O11 782.4035 NA PeJP NA NA +PJ034089 GGGPPDKR C32H54N12O11 782.4036 NA PeJP NA NA +PJ034090 PLLMFY C40H58N6O8S 782.4037 NA PeJP NA NA +PJ034091 LLLMMY C37H62N6O8S2 782.4071 NA PeJP NA NA +PJ034092 PPVERW C37H54N10O9 782.4076 NA PeJP NA NA +PJ034093 SVKMRY C34H58N10O9S 782.4109 NA PeJP NA NA +PJ034094 PPVVWW C42H54N8O7 782.4116 NA PeJP NA NA +PJ034095 SVEHRR C31H54N14O10 782.4148 NA PeJP NA NA +PJ034096 GTTTLKY C35H58N8O12 782.4174 NA PeJP NA NA +PJ034097 APPLKEE C35H58N8O12 782.4175 NA PeJP NA NA +PJ034098 VKKMMF C36H62N8O7S2 782.4183 NA PeJP NA NA +PJ034099 ATLHRW C36H54N12O8 782.4188 NA PeJP NA NA +PJ034100 VLLEFY C40H58N6O10 782.4215 NA PeJP NA NA +PJ034101 VLQMHR C33H58N12O8S 782.4222 NA PeJP NA NA +PJ034102 KFFRW C41H54N10O6 782.4228 NA PeJP NA NA +PJ034103 APPTLER C34H58N10O11 782.4287 NA PeJP NA NA +PJ034104 APHFRR C35H54N14O7 782.43 NA PeJP NA NA +PJ034105 GPPTLLW C39H58N8O9 782.4327 NA PeJP NA NA +PJ034106 ALMHRR C32H58N14O7S 782.4334 NA PeJP NA NA +PJ034107 TLKKMY C36H62N8O9S 782.4361 NA PeJP NA NA +PJ034108 PLLFFF C44H58N6O7 782.4367 NA PeJP NA NA +PJ034109 TLKEHR C33H58N12O10 782.4399 NA PeJP NA NA +PJ034110 LLLMFF C41H62N6O7S 782.4401 NA PeJP NA NA +PJ034111 SLLKHW C38H58N10O8 782.4439 NA PeJP NA NA +PJ034112 AAPLKHF C38H58N10O8 782.444 NA PeJP NA NA +MJ094208 2,3,23-Trihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranosyl ester C41H66O14 782.445256 NA MeJP NA NA +MJ094209 3,16,23,28-Tetrahydroxy-11,13(18)-oleanadien-29-oic acid, 3-O-?-D-Fucopyranoside, 29-D-ribit-1-yl ester C41H66O14 782.445256 NA MeJP NA NA +MJ094210 3,19,21-Trihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside, 21-O-?-D-glucopyranoside C41H66O14 782.445256 NA MeJP NA NA +MJ094211 3,19,21-Trihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranosyl ester C41H66O14 782.445256 NA MeJP NA NA +MJ094212 3,19,23-Trihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside] C41H66O14 782.445256 NA MeJP NA NA +MJ094213 3,19,23-Trihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranosyl ester C41H66O14 782.445256 NA MeJP NA NA +MJ094214 3,19,24-Trihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranosyl ester C41H66O14 782.445256 NA MeJP NA NA +MJ094215 ?-Ilexanolic acid; 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside] C41H66O14 782.445256 NA MeJP NA NA +MJ094216 Cycloorbigenin; 3-O-?-D-Xylopyranoside, 25-O-?-D-glucopyranoside C41H66O14 782.445256 NA MeJP NA NA +MJ094217 Ergosta-5,24(28)-diene-2,3,4,7-tetrol, 4-O-?-D-Galactopyranosyl, 7-O-(4-O-acetyl-?-D-xylopyranosyl) C41H66O14 782.445256 NA MeJP NA NA +PJ034113 GPPLLMR C35H62N10O8S 782.4473 NA PeJP NA NA +PJ034114 TTLHRR C32H58N14O9 782.4512 NA PeJP NA NA +PJ034115 SPPLLKE C36H62N8O11 782.4538 NA PeJP NA NA +PJ034116 GGPVVLLE C36H62N8O11 782.4539 NA PeJP NA NA +PJ034117 GKKKHW C37H58N12O7 782.4552 NA PeJP NA NA +PJ034118 VLLLYY C41H62N6O9 782.4579 NA PeJP NA NA +PJ034119 VLKMHR C34H62N12O7S 782.4586 NA PeJP NA NA +PJ034120 APQRRR C31H58N16O8 782.4624 NA PeJP NA NA +PJ034121 GPVLLER C35H62N10O10 782.4651 NA PeJP NA NA +PJ034122 AAPLLLW C40H62N8O8 782.4691 NA PeJP NA NA +PJ034123 PPVVLKM C37H66N8O8S 782.4725 NA PeJP NA NA +PJ034124 PLLERR C34H62N12O9 782.4763 NA PeJP NA NA +PJ034125 PVLLRW C39H62N10O7 782.4803 NA PeJP NA NA +MJ094218 12,23-Epoxydammar-24-ene-3,20-diol, 3,20-Di-O-?-D-glucopyranoside C42H70O13 782.481642 NA MeJP NA NA +MJ094219 12,24:20,24-Diepoxydammarane-3,25-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C42H70O13 782.481642 NA MeJP NA NA +MJ094220 12-Oleanene-3,16,22,24-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C42H70O13 782.481642 NA MeJP NA NA +MJ094221 12-Oleanene-3,16,28-triol, 3,16-Di-O-?-D-glucopyranoside C42H70O13 782.481642 NA MeJP NA NA +MJ094222 Bafilomycin A1; O21-(2-O-Methyl-?-L-rhamnopyranoside) C42H70O13 782.481642 NA MeJP NA NA +MJ094223 Cucurbita-5,24-diene-3,22,23-triol, 3-O-?-Gentiobioside C42H70O13 782.481642 NA MeJP NA NA +MJ094224 Cycloart-24-ene-3,6,16-triol, 3,16-Di-O-?-D-glucopyranoside C42H70O13 782.481642 NA MeJP NA NA +MJ094225 Dammar-24-ene-3,19,20-triol, 19-Aldehyde, 3,20-di-?-D-glucopyranoside C42H70O13 782.481642 NA MeJP NA NA +PJ034126 PVQKRR C33H62N14O8 782.4875 NA PeJP NA NA +PJ034127 APLLLKE C37H66N8O10 782.4902 NA PeJP NA NA +PJ034128 APKRRR C32H62N16O7 782.4988 NA PeJP NA NA +PJ034129 APTLLLR C36H66N10O9 782.5015 NA PeJP NA NA +PJ034130 AAPLKKR C35H66N12O8 782.5127 NA PeJP NA NA +PJ034131 PVKKRR C34H66N14O7 782.5239 NA PeJP NA NA +PJ034132 SPLLLLK C38H70N8O9 782.5266 NA PeJP NA NA +PJ034133 GVLLLLR C37H70N10O8 782.5378 NA PeJP NA NA +PJ034134 LLLLRR C36H70N12O7 782.5491 NA PeJP NA NA +PJ034135 ALLLLLK C39H74N8O8 782.563 NA PeJP NA NA +MetaCyc04135 1-18:2-2-18:2-sn-glycerol-3-phosphocholine [] C44H81N1O8P1 782.56998 NA metacyc NA NA +EUR1050 SM(d18:0/20:0) [M+Na]+ C43H89N2O6P 782.627772 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1050 SM(d18:0/20:0) [M+Na]+ C43H89N2O6P 782.627772 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1050 SM(d18:0/20:0) [M+Na]+ C43H89N2O6P 782.627772 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1050 SM(d18:0/20:0) [M+Na]+ C43H89N2O6P 782.627772 masses lipides attendues Inhousejuil11 NA NA +EUR1109 SM(d18:1/22:3) monoisotopic mass C45H87N2O6P 782.630176 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1109 SM(d18:1/22:3) monoisotopic mass C45H87N2O6P 782.630176 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1109 SM(d18:1/22:3) monoisotopic mass C45H87N2O6P 782.630176 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1109 SM(d18:1/22:3) monoisotopic mass C45H87N2O6P 782.630176 masses lipides attendues Inhousejuil11 NA NA +MJ094226 Neosurugatoxin C30H34BrN5O15 783.123478 NA MeJP NA NA +C16761 Neosurugatoxin C30H34BrN5O15 783.1235 NA KEGG NA NA +PJ034136 CCCCCCF C27H41N7O8S6 783.1341 NA PeJP NA NA +PJ034137 SCCCCCY C27H41N7O10S5 783.1519 NA PeJP NA NA +FL7AACGL0047 Cyanidin 3,5-di-(6-malonylglucoside) C33H35O22 783.16199 - knapsack NA NA +PJ034138 SCCCCEH C26H41N9O11S4 783.1809 NA PeJP NA NA +PJ034139 SCDDDDD C26H37N7O19S 783.1865 NA PeJP NA NA +PJ034140 PCCCDDE C27H41N7O14S3 783.1874 NA PeJP NA NA +PJ034141 GCCCMMH C27H45N9O8S5 783.1995 NA PeJP NA NA +PJ034142 GCDDDEM C27H41N7O16S2 783.2052 NA PeJP NA NA +PJ034143 CCCNNNN C25H41N11O12S3 783.2099 NA PeJP NA NA +FL7AAAGL0033 Pelargonidin 3-(6''-p-coumarylglucoside)-5-(6'''-acetylglucoside) C38H39O18 783.21363 168647-44-7 knapsack NA NA +PJ034144 GCCCDHF C30H41N9O10S3 783.2139 NA PeJP NA NA +PJ034145 SCCNNDE C26H41N9O15S2 783.2164 NA PeJP NA NA +PJ034146 STCCCMH C27H45N9O10S4 783.2172 NA PeJP NA NA +PJ034147 PCCCNNM C27H45N9O10S4 783.2173 NA PeJP NA NA +PJ034148 CDDDMW C31H41N7O13S2 783.2204 NA PeJP NA NA +PJ034149 SSDDDDM C27H41N7O18S 783.2229 NA PeJP NA NA +PJ034150 SPCCDEM C28H45N7O13S3 783.2238 NA PeJP NA NA +PJ034151 PPCCCMM C29H49N7O8S5 783.2247 NA PeJP NA NA +PJ034152 GSCCNDW C30H41N9O12S2 783.2316 NA PeJP NA NA +PJ034153 GGGSCCDW C30H41N9O12S2 783.2317 NA PeJP NA NA +PJ034154 GSSSCNDD C26H41N9O17S 783.2341 NA PeJP NA NA +PJ034155 GGGSSSCDD C26H41N9O17S 783.2342 NA PeJP NA NA +PJ034156 GCNNDMM C27H45N9O12S3 783.235 NA PeJP NA NA +PJ034157 GPCDDDY C31H41N7O15S 783.2382 NA PeJP NA NA +PJ034158 PPCCCDF C32H45N7O10S3 783.239 NA PeJP NA NA +PJ034159 GSDDEMM C28H45N7O15S2 783.2415 NA PeJP NA NA +PJ034160 GPCDMMM C29H49N7O10S4 783.2424 NA PeJP NA NA +PJ034161 GCCCNER C26H45N11O11S3 783.2462 NA PeJP NA NA +PJ034162 GGGCCCER C26H45N11O11S3 783.2463 NA PeJP NA NA +PJ034163 GCNNDDF C30H41N9O14S 783.2494 NA PeJP NA NA +PJ034164 CCNQMW C31H45N9O9S3 783.2503 NA PeJP NA NA +PJ034165 SSCNNEM C27H45N9O14S2 783.2528 NA PeJP NA NA +PJ034166 PCCCCQK C28H49N9O9S4 783.2536 NA PeJP NA NA +PJ034167 GAPCCCCK C28H49N9O9S4 783.2537 NA PeJP NA NA +PJ034168 GCCNNHH C28H41N13O10S2 783.2541 NA PeJP NA NA +PJ034169 NDDEEY C31H41N7O17 783.2559 NA PeJP NA NA +PJ034170 SDDMMW C32H45N7O12S2 783.2568 NA PeJP NA NA +PJ034171 SSSDEEM C28H45N7O17S 783.2593 NA PeJP NA NA +PJ034172 NEEMMM C29H49N7O12S3 783.2602 NA PeJP NA NA +PJ034173 GSCDEHH C29H41N11O13S 783.2606 NA PeJP NA NA +PJ034174 CCCNRW C30H45N11O8S3 783.2615 NA PeJP NA NA +PJ034175 SSCCNDR C26H45N11O13S2 783.264 NA PeJP NA NA +PJ034176 GSNNDDY C30H41N9O16 783.2672 NA PeJP NA NA +PJ034177 GSSCNMW C31H45N9O11S2 783.268 NA PeJP NA NA +PJ034178 GSSSSNDM C27H45N9O16S 783.2705 NA PeJP NA NA +PJ034179 GDDEYW C35H41N7O14 783.2712 NA PeJP NA NA +PJ034180 CDEMMR C28H49N9O11S3 783.2714 NA PeJP NA NA +PJ034181 PCCEFW C36H45N7O9S2 783.2721 NA PeJP NA NA +PJ034182 ASPCDEY C32H45N7O14S 783.2745 NA PeJP NA NA +PJ034183 GSPDDMY C32H45N7O14S 783.2746 NA PeJP NA NA +PJ034184 GEMMMW C33H49N7O9S3 783.2754 NA PeJP NA NA +PJ034185 SCDHHW C33H41N11O10S 783.2759 NA PeJP NA NA +PJ034186 GSTEEMM C29H49N7O14S2 783.2779 NA PeJP NA NA +PJ034187 SSSDDHH C29H41N11O15 783.2784 NA PeJP NA NA +PJ034188 GSPMMMM C30H53N7O9S4 783.2788 NA PeJP NA NA +PJ034189 NDMMHH C30H45N11O10S2 783.2793 NA PeJP NA NA +PJ034190 PDDDHW C34H41N9O13 783.2824 NA PeJP NA NA +PJ034191 GSCCQMR C27H49N11O10S3 783.2826 NA PeJP NA NA +PJ034192 CCQHFF C35H45N9O8S2 783.2833 NA PeJP NA NA +PJ034193 SSSSCQW C31H45N9O13S 783.2858 NA PeJP NA NA +PJ034194 DDYWW C39H41N7O11 783.2864 NA PeJP NA NA +PJ034195 CCNKMW C32H49N9O8S3 783.2867 NA PeJP NA NA +PJ034196 SSSSSSNE C27H45N9O18 783.2883 NA PeJP NA NA +MJ094227 Delgrandine; Ac C43H45NO13 783.28909 NA MeJP NA NA +PJ034197 SSSNQMM C28H49N9O13S2 783.2891 NA PeJP NA NA +PJ034198 GGSSSQMM C28H49N9O13S2 783.2892 NA PeJP NA NA +PJ034199 GNNNNDH C28H41N13O14 783.2896 NA PeJP NA NA +PJ034200 GGGGGGGNDH C28H41N13O14 783.2897 NA PeJP NA NA +PJ034201 SPCEYW C36H45N7O11S 783.2898 NA PeJP NA NA +PJ034202 PCCCCKK C29H53N9O8S4 783.29 NA PeJP NA NA +PJ034203 CCEHHR C29H45N13O9S2 783.2905 NA PeJP NA NA +MJ094228 Haligramide A C37H49N7O6S3 783.290644 NA MeJP NA NA +PJ034204 MMMWW C37H49N7O6S3 783.2907 NA PeJP NA NA +PJ034205 SQEEEY C32H45N7O16 783.2923 NA PeJP NA NA +PJ034206 STEMMW C33H49N7O11S2 783.2932 NA PeJP NA NA +PJ034207 NDDHHF C33H41N11O12 783.2937 NA PeJP NA NA +PJ034208 GSCCCRR C26H49N13O9S3 783.2939 NA PeJP NA NA +PJ034209 ACMHHW C34H45N11O7S2 783.2945 NA PeJP NA NA +PJ034210 SSTTEEM C29H49N7O16S 783.2957 NA PeJP NA NA +PJ034211 AATEMMM C30H53N7O11S3 783.2965 NA PeJP NA NA +PJ034212 DKEMMM C30H53N7O11S3 783.2966 NA PeJP NA NA +PJ034213 CNNDRY C30H45N11O12S 783.297 NA PeJP NA NA +PJ034214 CNHHHH C31H41N15O8S 783.2984 NA PeJP NA NA +PJ034215 SSSCNMR C27H49N11O12S2 783.3004 NA PeJP NA NA +PJ034216 GNNMYW C35H45N9O10S 783.301 NA PeJP NA NA +PJ034217 GGGGGMYW C35H45N9O10S 783.3011 NA PeJP NA NA +PJ034218 GSSSSSSW C31H45N9O15 783.3035 NA PeJP NA NA +PJ034219 GGGGGSTEY C31H45N9O15 783.3036 NA PeJP NA NA +PJ034220 GSTCCKW C32H49N9O10S2 783.3044 NA PeJP NA NA +PJ034221 DMFWW C40H45N7O8S 783.3051 NA PeJP NA NA +PJ034222 GSSSSTQM C28H49N9O15S 783.3069 NA PeJP NA NA +PJ034223 GTEEYW C36H45N7O13 783.3076 NA PeJP NA NA +PJ034224 SEMMMR C29H53N9O10S3 783.3078 NA PeJP NA NA +PJ034225 GPMMYW C37H49N7O8S2 783.3084 NA PeJP NA NA +MJ094229 Aclacinomycin K C40H49NO15 783.310219 NA MeJP NA NA +MJ094230 Ditrisarubicin A; 10-De-O-glycosyl C40H49NO15 783.310219 NA MeJP NA NA +PJ034226 VNEEMY C33H49N7O13S 783.3109 NA PeJP NA NA +PJ034227 EFYYY C41H45N5O11 783.3116 NA PeJP NA NA +PJ034228 SVMMMW C34H53N7O8S3 783.3118 NA PeJP NA NA +PJ034229 SSMHHW C34H45N11O9S 783.3123 NA PeJP NA NA +PJ034230 SSSLEMM C30H53N7O13S2 783.3143 NA PeJP NA NA +PJ034231 SSSTEHH C30H45N11O14 783.3148 NA PeJP NA NA +PJ034232 LQMMMM C31H57N7O8S4 783.3152 NA PeJP NA NA +PJ034233 CNNMFR C31H49N11O9S2 783.3156 NA PeJP NA NA +PJ034234 GGCNMFR C31H49N11O9S2 783.3157 NA PeJP NA NA +PJ034235 GSSSSTCR C27H49N11O14S 783.3181 NA PeJP NA NA +PJ034236 SSNQYW C35H45N9O12 783.3188 NA PeJP NA NA +PJ034237 GSCCKMR C28H53N11O9S3 783.319 NA PeJP NA NA +PJ034238 CCKHFF C36H49N9O7S2 783.3197 NA PeJP NA NA +PJ034239 SSSSCKW C32H49N9O12S 783.3222 NA PeJP NA NA +PJ034240 TEYWW C40H45N7O10 783.3228 NA PeJP NA NA +PJ034241 PCMMFR C33H53N9O7S3 783.323 NA PeJP NA NA +PJ034242 GPPCHHH C33H45N13O8S 783.3235 NA PeJP NA NA +PJ034243 SSSSSSDK C28H49N9O17 783.3247 NA PeJP NA NA +PJ034244 SSSNKMM C29H53N9O12S2 783.3255 NA PeJP NA NA +PJ034245 NNDEHR C29H45N13O13 783.326 NA PeJP NA NA +PJ034246 GVEMYW C37H49N7O10S 783.3262 NA PeJP NA NA +PJ034247 CLMMMR C30H57N9O7S4 783.3264 NA PeJP NA NA +PJ034248 TCMHHR C30H49N13O8S2 783.3269 NA PeJP NA NA +PJ034249 SKEEEY C33H49N7O15 783.3287 NA PeJP NA NA +PJ034250 PDKMMY C34H53N7O10S2 783.3296 NA PeJP NA NA +PJ034251 GQQEHW C34H45N11O11 783.33 NA PeJP NA NA +PJ034252 GGGAAEHW C34H45N11O11 783.3301 NA PeJP NA NA +PJ034253 TTTTTEM C30H53N7O15S 783.3321 NA PeJP NA NA +PJ034254 GTTLMMM C31H57N7O10S3 783.3329 NA PeJP NA NA +PJ034255 SNNMRY C31H49N11O11S 783.3334 NA PeJP NA NA +PJ034256 GNNFFW C39H45N9O9 783.3341 NA PeJP NA NA +PJ034257 SSSSSSSR C27H49N11O16 783.3359 NA PeJP NA NA +PJ034258 SSTCCKR C28H53N11O11S2 783.3368 NA PeJP NA NA +PJ034259 EMRYW C36H49N9O9S 783.3374 NA PeJP NA NA +PJ034260 STEERY C32H49N9O14 783.3399 NA PeJP NA NA +PJ034261 SPMMRY C33H53N9O9S2 783.3408 NA PeJP NA NA +PJ034262 GNDHRW C33H45N13O10 783.3413 NA PeJP NA NA +PJ034263 VMYWW C41H49N7O7S 783.3414 NA PeJP NA NA +PJ034264 GPMFFW C41H49N7O7S 783.3415 NA PeJP NA NA +PJ034265 GSSSSTKM C29H53N9O14S 783.3433 NA PeJP NA NA +PJ034266 SSLEYW C37H49N7O12 783.3439 NA PeJP NA NA +MJ094231 Antibiotic B 1625FA2?-1 C37H49N7O12 783.34392 NA MeJP NA NA +PJ034267 PDDKFY C37H49N7O12 783.344 NA PeJP NA NA +PJ034268 GSCKKMM C30H57N9O9S3 783.3442 NA PeJP NA NA +PJ034269 GSPCQHR C30H49N13O10S 783.3446 NA PeJP NA NA +PJ034270 GGGPTCHR C30H49N13O10S 783.3447 NA PeJP NA NA +PJ034271 GLMMFW C38H53N7O7S2 783.3448 NA PeJP NA NA +3726 NA YPFGFPG 783.345 ACE inhibitor Inhouse_peptide NA peptide +PJ034272 QQHWW C38H45N11O8 783.3453 NA PeJP NA NA +MJ094232 Auramycin F; 3''-Deoxy C41H53NO14 783.346605 NA MeJP NA NA +PJ034273 VDKEMY C34H53N7O12S 783.3473 NA PeJP NA NA +PJ034274 LYYYY C42H49N5O10 783.348 NA PeJP NA NA +PJ034275 PKMMMF C35H57N7O7S3 783.3482 NA PeJP NA NA +PJ034276 PCNKHW C35H49N11O8S 783.3487 NA PeJP NA NA +PJ034277 STTTLMM C31H57N7O12S2 783.3507 NA PeJP NA NA +PJ034278 SSPTQQH C31H49N11O13 783.3511 NA PeJP NA NA +PJ034279 GSSSQRY C31H49N11O13 783.3512 NA PeJP NA NA +PJ034280 LKMMMM C32H61N7O7S4 783.3516 NA PeJP NA NA +PJ034281 CCQKFR C32H53N11O8S2 783.352 NA PeJP NA NA +PJ034282 SSNKYW C36H49N9O11 783.3552 NA PeJP NA NA +PJ034283 APHHHW C37H45N13O7 783.3565 NA PeJP NA NA +PJ034284 SVEMRY C33H53N9O11S 783.3585 NA PeJP NA NA +PJ034285 TCLERY C33H53N9O11S 783.3586 NA PeJP NA NA +PJ034286 GPVYYW C41H49N7O9 783.3592 NA PeJP NA NA +PJ034287 GMHHFR C34H49N13O7S 783.3599 NA PeJP NA NA +PJ034288 SSSSSTTK C29H53N9O16 783.361 NA PeJP NA NA +PJ034289 SSTCKKM C30H57N9O11S2 783.3619 NA PeJP NA NA +PJ034290 SQQEHR C30H49N13O12 783.3624 NA PeJP NA NA +PJ034291 ATLMYW C38H53N7O9S 783.3626 NA PeJP NA NA +PJ034292 GTTTLEY C34H53N7O14 783.3651 NA PeJP NA NA +PJ034293 VLQMMY C35H57N7O9S2 783.3659 NA PeJP NA NA +PJ034294 GGLLMMY C35H57N7O9S2 783.366 NA PeJP NA NA +PJ034295 PPNDRW C35H49N11O10 783.3664 NA PeJP NA NA +PJ034296 SCQKRY C32H53N11O10S 783.3698 NA PeJP NA NA +PJ034297 APPQWW C40H49N9O8 783.3704 NA PeJP NA NA +PJ034298 SNDHRR C29H49N15O11 783.3736 NA PeJP NA NA +PJ034299 GCKKYW C37H53N9O8S 783.3738 NA PeJP NA NA +PJ034300 VFFWW C45H49N7O6 783.3745 NA PeJP NA NA +PJ034301 GSSDKKY C33H53N9O13 783.3763 NA PeJP NA NA +PJ034302 ALMMRY C34H57N9O8S2 783.3772 NA PeJP NA NA +PJ034303 GTQHRW C34H49N13O9 783.3777 NA PeJP NA NA +PJ034304 TTTLYW C38H53N7O11 783.3803 NA PeJP NA NA +PJ034305 VNQMHR C31H53N13O9S 783.381 NA PeJP NA NA +PJ034306 QKHWW C39H49N11O7 783.3817 NA PeJP NA NA +PJ034307 TLKEMY C35H57N7O11S 783.3837 NA PeJP NA NA +PJ034308 PPMHFR C36H53N11O7S 783.3851 NA PeJP NA NA +PJ034309 GSSSKRY C32H53N11O12 783.3875 NA PeJP NA NA +PJ034310 TLEEHR C32H53N11O12 783.3876 NA PeJP NA NA +PJ034311 CCKKFR C33H57N11O7S2 783.3884 NA PeJP NA NA +PJ034312 PTHHHR C33H49N15O8 783.3889 NA PeJP NA NA +PJ034313 SLLEHW C37H53N9O10 783.3916 NA PeJP NA NA +PJ034314 GQMHRR C30H53N15O8S 783.3923 NA PeJP NA NA +PJ034315 TTLMRY C34H57N9O10S 783.3949 NA PeJP NA NA +PJ034316 GVVLEMH C34H57N9O10S 783.395 NA PeJP NA NA +PJ034317 GVLFYW C42H53N7O8 783.3956 NA PeJP NA NA +PJ034318 GSPPDRR C31H53N13O11 783.3988 NA PeJP NA NA +PJ034319 PVKMFY C39H57N7O8S 783.399 NA PeJP NA NA +PJ034320 SSTTLLY C35H57N7O13 783.4015 NA PeJP NA NA +PJ034321 VLKMMY C36H61N7O8S2 783.4023 NA PeJP NA NA +PJ034322 PPTQRW C36H53N11O9 783.4028 NA PeJP NA NA +PJ034323 GCHRRR C29H53N17O7S 783.4035 NA PeJP NA NA +MJ094233 Fumonisin A1; 10-Deoxy, 2-de(acetylamino), 2-(3-hydroxy-1-pyridinyl) C39H62NO15(+) 783.40412 NA MeJP NA NA +MJ094234 Fumonisin A1; 5-Deoxy, 2-de(acetylamino), 2-(3-hydroxy-1-pyridinyl) C39H62NO15(+) 783.40412 NA MeJP NA NA +PJ034324 SCKKRY C33H57N11O9S 783.4062 NA PeJP NA NA +PJ034325 APPKWW C41H53N9O7 783.4068 NA PeJP NA NA +MJ094235 Beauvericin C45H57N3O9 783.40948 NA MeJP NA NA +C11590 Beauvericin C45H57N3O9 783.4095 NA KEGG NA NA +PJ034326 STQHRR C30H53N15O10 783.41 NA PeJP NA NA +PJ034327 VVLMHW C38H57N9O7S 783.4102 NA PeJP NA NA +PJ034328 GSTTKKY C34H57N9O12 783.4127 NA PeJP NA NA +PJ034329 CKKKMF C35H61N9O7S2 783.4136 NA PeJP NA NA +PJ034330 GTKHRW C35H53N13O8 783.414 NA PeJP NA NA +PJ034331 GALLHHH C35H53N13O8 783.4141 NA PeJP NA NA +3128 exomorphin from bovine alpha s1-casein fr:90-95 RYLGYL 783.416 celiac toxic Inhouse_peptide NA peptide +PJ034332 PTLKYY C39H57N7O10 783.4167 NA PeJP NA NA +PJ034333 PPQMRR C32H57N13O8S 783.4174 NA PeJP NA NA +PJ034334 KKHWW C40H53N11O6 783.4181 NA PeJP NA NA +PJ034335 PPVVLEM C36H61N7O10S 783.4201 NA PeJP NA NA +PJ034336 GPPTKER C33H57N11O11 783.4239 NA PeJP NA NA +PJ034337 AAAAPVER C33H57N11O11 783.424 NA PeJP NA NA +PJ034338 VVHHHR C34H53N15O7 783.4253 NA PeJP NA NA +PJ034339 AQKKFY C38H57N9O9 783.4279 NA PeJP NA NA +PJ034340 PPKKEW C38H57N9O9 783.428 NA PeJP NA NA +PJ034341 GKMHRR C31H57N15O7S 783.4286 NA PeJP NA NA +PJ034342 PPCRRR C31H57N15O7S 783.4287 NA PeJP NA NA +PJ034343 SKKKMY C35H61N9O9S 783.4313 NA PeJP NA NA +PJ034344 PVKFFF C43H57N7O7 783.432 NA PeJP NA NA +PJ034345 PVQERR C32H57N13O10 783.4352 NA PeJP NA NA +PJ034346 VLKMFF C40H61N7O7S 783.4354 NA PeJP NA NA +PJ034347 APLLLEE C36H61N7O12 783.4379 NA PeJP NA NA +PJ034348 PPTKRW C37H57N11O8 783.4392 NA PeJP NA NA +MJ094236 Carbomycin B; O-De-Ac C40H65NO14 783.440505 NA MeJP NA NA +PJ034349 GPPVKMR C34H61N11O8S 783.4426 NA PeJP NA NA +PJ034350 APERRR C31H57N15O9 783.4464 NA PeJP NA NA +PJ034351 STTLLLH C35H61N9O11 783.4491 NA PeJP NA NA +PJ034352 GPLRRW C36H57N13O7 783.4504 NA PeJP NA NA +PJ034353 VVLKYY C40H61N7O9 783.4531 NA PeJP NA NA +3294 bovine kappa-casein fr, 106-112 MAIPPKK 783.4534 celiac toxic Inhouse_peptide NA peptide +PJ034354 PPKMRR C33H61N13O7S 783.4538 NA PeJP NA NA +PJ034355 PPTLLLM C37H65N7O9S 783.4565 NA PeJP NA NA +PJ034356 AAPLKER C34H61N11O10 783.4603 NA PeJP NA NA +MJ094237 Hydra RFamides; Hydra RFamide IV C35H57N15O6 783.461624 NA MeJP NA NA +PJ034357 PLLQKW C39H61N9O8 783.4643 NA PeJP NA NA +PJ034358 GAPLLKW C39H61N9O8 783.4644 NA PeJP NA NA +PJ034359 APPLKKM C36H65N9O8S 783.4677 NA PeJP NA NA +PJ034360 PVKERR C33H61N13O9 783.4716 NA PeJP NA NA +PJ034361 SPLLLLE C37H65N7O11 783.4742 NA PeJP NA NA +PJ034362 PVVKRW C38H61N11O7 783.4756 NA PeJP NA NA +PJ034363 LKKKMH C35H65N11O7S 783.4789 NA PeJP NA NA +PJ034364 SPLRRR C32H61N15O8 783.4828 NA PeJP NA NA +HMDB09210 PE(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C45H70NO8P 783.483887 NA HMDB2010 NA NA +HMDB09467 PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C45H70NO8P 783.483887 NA HMDB2010 NA NA +HMDB09690 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C45H70NO8P 783.483887 NA HMDB2010 NA NA +PJ034365 GPLLKKE C36H65N9O10 783.4855 NA PeJP NA NA +PJ034366 PPVVLLF C41H65N7O8 783.4895 NA PeJP NA NA +PJ034367 PVVLLLM C38H69N7O8S 783.4929 NA PeJP NA NA +PJ034368 GPTLLKR C35H65N11O9 783.4967 NA PeJP NA NA +PJ034369 PLLKKW C40H65N9O7 783.5007 NA PeJP NA NA +HMDB12361 PS(16:0/20:4(5Z,8Z,11Z,14Z)) C42H74NO10P 783.505005 NA HMDB2010 NA NA +HMDB12371 PS(16:1(9Z)/20:3(8Z,11Z,14Z)) C42H74NO10P 783.505005 NA HMDB2010 NA NA +HMDB12392 PS(18:1(9Z)/18:3(9Z,12Z,15Z)) C42H74NO10P 783.505005 NA HMDB2010 NA NA +HMDB12402 PS(18:2(9Z,12Z)/18:2(9Z,12Z)) C42H74NO10P 783.505005 NA HMDB2010 NA NA +HMDB12412 PS(18:3(9Z,12Z,15Z)/18:1(9Z)) C42H74NO10P 783.505005 NA HMDB2010 NA NA +HMDB12421 PS(20:3(8Z,11Z,14Z)/16:1(9Z)) C42H74NO10P 783.505005 NA HMDB2010 NA NA +HMDB12431 PS(20:4(5Z,8Z,11Z,14Z)/16:0) C42H74NO10P 783.505005 NA HMDB2010 NA NA +PJ034370 VLLQRR C34H65N13O8 783.5079 NA PeJP NA NA +PJ034371 ALLLLLE C38H69N7O10 783.5106 NA PeJP NA NA +PJ034372 ALLRRR C33H65N15O7 783.5192 NA PeJP NA NA +PJ034373 SPVLLKK C37H69N9O9 783.5219 NA PeJP NA NA +PJ034374 AALLLKR C36H69N11O8 783.5331 NA PeJP NA NA +PJ034375 VLLKRR C35H69N13O7 783.5443 NA PeJP NA NA +PJ034376 SLLLLLL C39H73N7O9 783.547 NA PeJP NA NA +PJ034377 GLLLLKK C38H73N9O8 783.5582 NA PeJP NA NA +EUR969 PC 36:3 monoisotopic mass C44H82NO8P 783.577807 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR969 PC 36:3 monoisotopic mass C44H82NO8P 783.577807 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR969 PC 36:3 monoisotopic mass C44H82NO8P 783.577807 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR969 PC 36:3 monoisotopic mass C44H82NO8P 783.577807 masses lipides attendues Inhousejuil11 NA NA +HMDB07921 PC(14:1(9Z)/22:2(13Z,16Z)) C44H82NO8P 783.57782 NA HMDB2010 NA NA +HMDB07980 PC(16:0/20:3(5Z,8Z,11Z)) C44H82NO8P 783.57782 NA HMDB2010 NA NA +HMDB07981 PC(16:0/20:3(8Z,11Z,14Z)) C44H82NO8P 783.57782 NA HMDB2010 NA NA +HMDB08012 PC(16:1(9Z)/20:2(11Z,14Z)) C44H82NO8P 783.57782 NA HMDB2010 NA NA +HMDB08040 PC(18:0/18:3(6Z,9Z,12Z)) C44H82NO8P 783.57782 NA HMDB2010 NA NA +HMDB08041 PC(18:0/18:3(9Z,12Z,15Z)) C44H82NO8P 783.57782 NA HMDB2010 NA NA +HMDB08072 PC(18:1(11Z)/18:2(9Z,12Z)) C44H82NO8P 783.57782 NA HMDB2010 NA NA +HMDB08105 PC(18:1(9Z)/18:2(9Z,12Z)) C44H82NO8P 783.57782 NA HMDB2010 NA NA +HMDB08136 PC(18:2(9Z,12Z)/18:1(11Z)) C44H82NO8P 783.57782 NA HMDB2010 NA NA +HMDB08137 PC(18:2(9Z,12Z)/18:1(9Z)) C44H82NO8P 783.57782 NA HMDB2010 NA NA +HMDB08168 PC(18:3(6Z,9Z,12Z)/18:0) C44H82NO8P 783.57782 NA HMDB2010 NA NA +HMDB08201 PC(18:3(9Z,12Z,15Z)/18:0) C44H82NO8P 783.57782 NA HMDB2010 NA NA +HMDB08332 PC(20:2(11Z,14Z)/16:1(9Z)) C44H82NO8P 783.57782 NA HMDB2010 NA NA +HMDB08364 PC(20:3(5Z,8Z,11Z)/16:0) C44H82NO8P 783.57782 NA HMDB2010 NA NA +HMDB08397 PC(20:3(8Z,11Z,14Z)/16:0) C44H82NO8P 783.57782 NA HMDB2010 NA NA +HMDB08591 PC(22:2(13Z,16Z)/14:1(9Z)) C44H82NO8P 783.57782 NA HMDB2010 NA NA +HMDB09545 PE(22:1(13Z)/P-18:1(11Z)) C45H86NO7P 783.614197 NA HMDB2010 NA NA +HMDB09546 PE(22:1(13Z)/P-18:1(9Z)) C45H86NO7P 783.614197 NA HMDB2010 NA NA +HMDB09577 PE(22:2(13Z,16Z)/P-18:0) C45H86NO7P 783.614197 NA HMDB2010 NA NA +HMDB11390 PE(P-18:0/22:2(13Z,16Z)) C45H86NO7P 783.614197 NA HMDB2010 NA NA +HMDB11422 PE(P-18:1(11Z)/22:1(13Z)) C45H86NO7P 783.614197 NA HMDB2010 NA NA +HMDB11455 PE(P-18:1(9Z)/22:1(13Z)) C45H86NO7P 783.614197 NA HMDB2010 NA NA +HMDB10707 CerP(d18:1/26:1(17Z)) C46H90NO6P 783.650574 NA HMDB2010 NA NA +HMDB04974 Glucosylceramide (d18:1/22:0) C46H89NO8 783.65881 http://www.hmdb.ca/metabolites/HMDB04974 HMDB NA NA +HMDB04974 Glucosylceramide (d18:1/22:0) C46H89NO8 783.65881 HMDB04974 PFEM_hmdb_metabocards_official NA NA +HMDB04974 Glucosylceramide (d18:1/22:0) C46H89NO8 783.658813 NA HMDB2010 NA NA +HMDB10711 Galactosylceramide (d18:1/22:0) C46H89NO8 783.658813 NA HMDB2010 NA NA +MJ094238 29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-Deoxy, 35-(N-hexadecanoylamino) C51H93NO4 783.71046 NA MeJP NA NA +7059 coeliac toxic peptide LQLQPFPQPQLPY 783.9115 MH2+ Inhouse_peptide NA peptide +C10236 Pedunculagin C34H24O22 784.0759 NA KEGG NA NA +MJ094239 2-O-Galloyl 3-O-valoneoyldilactoneglucose C34H24O22 784.075922 NA MeJP NA NA +MJ094240 Casuarinin; 1-Epimer, 5-O-degalloyl C34H24O22 784.075922 NA MeJP NA NA +MJ094241 Casuarinin; 5-Degalloyl C34H24O22 784.075922 NA MeJP NA NA +MJ094242 Granatin A C34H24O22 784.075922 NA MeJP NA NA +MJ094243 Oenothein C C34H24O22 784.075922 NA MeJP NA NA +MJ094244 Pedunculagin C34H24O22 784.075922 NA MeJP NA NA +MJ094245 Platycaryanin D C34H24O22 784.075922 NA MeJP NA NA +MJ094246 Terflavin D; 6'-O-(3,4,5-Trihydroxybenzoyl) C34H24O22 784.075922 NA MeJP NA NA +MJ094247 Bergenin; 3,4,11-Tris-O-(3,4,5-trihydroxybenzoyl) C35H28O21 784.112307 NA MeJP NA NA +MJ094248 Leptosin K1 C34H36N6O6S5 784.129986 NA MeJP NA NA +PJ034378 CCCCCNH C25H40N10O9S5 784.1584 NA PeJP NA NA +FL3FAAGS0062 Apigenin 7-Glucosyl-(1->2)-glucuronide-4'-glucuronide C33H36O22 784.16982 - knapsack NA NA +FL3FECGS0047 6-Hydroxyluteolin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]-3-glucuronide;5-[7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,6-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl beta-D-glucopyranosiduronic acid C33H36O22 784.16982 165460-14-0 knapsack NA NA +MJ094249 3',4',5,6,7-Pentahydroxyflavone; 7-O-[3-Hydroxy-3-methylglutaroyl-(?6)-?-D-glucopyranoside], 3'-O-?-D-glucuronopyranoside C33H36O22 784.169822 NA MeJP NA NA +MJ094250 4',5,7-Trihydroxyflavone; 7-O-[?-D-Galacturonopyranosyl-(1??)-?-D-galacturonopyranoside], 4'-O-?-D-glucopyranoside C33H36O22 784.169822 NA MeJP NA NA +MJ094251 Dictyodendrilla Alkaloid C43H32N2O11S 784.17268 NA MeJP NA NA +PJ034379 GPPCCCCC C27H44N8O9S5 784.1835 NA PeJP NA NA +MJ094252 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranosyl-(??)-?-D-glucuronopyranoside] C37H36O19 784.185078 NA MeJP NA NA +PJ034380 CCCNNND C25H40N10O13S3 784.1939 NA PeJP NA NA +MJ094253 2,5-Dihydroxybenzyl 1,2,6-trihydroxy-5-oxo-3-cyclohexene-1-carboxylate; 6-Benzoyl, 2'-O-(4,6-di-O-benzoyl-?-D-glucopyranoside) C41H36O16 784.200335 NA MeJP NA NA +PJ034381 SCCNDDE C26H40N8O16S2 784.2004 NA PeJP NA NA +PJ034382 PCCCNDM C27H44N8O11S4 784.2013 NA PeJP NA NA +PJ034383 CCCMYY C32H44N6O9S4 784.2053 NA PeJP NA NA +PJ034384 GSCCDDW C30H40N8O13S2 784.2157 NA PeJP NA NA +PJ034385 APCCCCW C31H44N8O8S4 784.2165 NA PeJP NA NA +PJ034386 GSSSCDDD C26H40N8O18S 784.2182 NA PeJP NA NA +PJ034387 GCNDDMM C27H44N8O13S3 784.219 NA PeJP NA NA +FL3FCACS0024 Spinosin 6'''-(E)-ferulate;Swertisin 6'''-O-feruloyl 2''-O-glucoside C38H40O18 784.22146 77690-92-7 knapsack NA NA +FL3FCACS0033 Isoswertisin 6'''-O-feruloyl 2''-O-glucoside C38H40O18 784.22146 319480-85-8 knapsack NA NA +MJ094254 Swertisin; 2''-O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranosyl] C38H40O18 784.221464 NA MeJP NA NA +MJ094255 Vitexin; 7-Me ether, 2''-O-[4-hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranosyl] C38H40O18 784.221464 NA MeJP NA NA +MJ094256 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-(4-Hydroxycinnamoylrutinoside) C38H41O18(+) 784.221464 NA MeJP NA NA +PJ034388 GCCCDER C26H44N10O12S3 784.2303 NA PeJP NA NA +PJ034389 GCNDDDF C30H40N8O15S 784.2334 NA PeJP NA NA +PJ034390 CCNEMW C31H44N8O10S3 784.2343 NA PeJP NA NA +PJ034391 SSCNDEM C27H44N8O15S2 784.2368 NA PeJP NA NA +MJ094257 3,4-Bis(4-hydroxyphenyl)hexane, Bis[4-[bis(2-chloroethyl)amino]phenylacetate] C42H48Cl4N2O4 784.236818 NA MeJP NA NA +PJ034392 SPCCNMM C28H48N8O10S4 784.2376 NA PeJP NA NA +PJ034393 GGSPCCMM C28H48N8O10S4 784.2377 NA PeJP NA NA +PJ034394 GCCNDHH C28H40N12O11S2 784.2381 NA PeJP NA NA +PJ034395 CCCFFY C36H44N6O8S3 784.2383 NA PeJP NA NA +PJ034396 DDDEEY C31H40N6O18 784.2399 NA PeJP NA NA +FL5FCDGA0003 Rhamnazin 3-rhamninoside C35H44O20 784.24259 52801-24-8 knapsack NA NA +FL5FCDGA0004 Rhamnazin 3-isorhamninoside C35H44O20 784.24259 52801-23-7 knapsack NA NA +MJ094258 3',5,7-Trihydroxy-3,4'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C35H44O20 784.242593 NA MeJP NA NA +MJ094259 3,3',4',5,7-Pentahydroxyflavone; 3,7-Di-Me ether, 3'-O-[?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C35H44O20 784.242593 NA MeJP NA NA +MJ094260 3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C35H44O20 784.242593 NA MeJP NA NA +MJ094261 3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C35H44O20 784.242593 NA MeJP NA NA +PJ034397 DEEMMM C29H48N6O13S3 784.2442 NA PeJP NA NA +PJ034398 CCCDRW C30H44N10O9S3 784.2455 NA PeJP NA NA +PJ034399 SSCCDDR C26H44N10O14S2 784.248 NA PeJP NA NA +PJ034400 PTCCCCR C27H48N10O9S4 784.2489 NA PeJP NA NA +PJ034401 GCCMWW C35H44N8O7S3 784.2495 NA PeJP NA NA +PJ034402 GSNDDDY C30H40N8O17 784.2512 NA PeJP NA NA +PJ034403 GSSCDMW C31H44N8O12S2 784.252 NA PeJP NA NA +PJ034404 GGAPCCDY C31H44N8O12S2 784.2521 NA PeJP NA NA +PJ034405 GSSSSDDM C27H44N8O17S 784.2545 NA PeJP NA NA +PJ034406 GSNDMMM C28H48N8O12S3 784.2554 NA PeJP NA NA +PJ034407 ACCYYY C36H44N6O10S2 784.2561 NA PeJP NA NA +PJ034408 DDEEMF C32H44N6O15S 784.2586 NA PeJP NA NA +PJ034409 GCCNNQF C30H44N10O11S2 784.2633 NA PeJP NA NA +PJ034410 SSSSSCNN C26H44N10O16S 784.2658 NA PeJP NA NA +PJ034411 GSCCEMR C27H48N10O11S3 784.2666 NA PeJP NA NA +PJ034412 GGSCCCQK C27H48N10O11S3 784.2667 NA PeJP NA NA +PJ034413 STCCWW C35H44N8O9S2 784.2673 NA PeJP NA NA +PJ034414 SSSSCEW C31H44N8O14S 784.2698 NA PeJP NA NA +PJ034415 SCQMMW C32H48N8O9S3 784.2707 NA PeJP NA NA +PJ034416 SSSSSSDE C27H44N8O19 784.2723 NA PeJP NA NA +PJ034417 SSSNEMM C28H48N8O14S2 784.2732 NA PeJP NA NA +PJ034418 GNNNDDH C28H40N12O15 784.2736 NA PeJP NA NA +PJ034419 GGGNNDDH C28H40N12O15 784.2737 NA PeJP NA NA +PJ034420 SSCYYY C36H44N6O12S 784.2738 NA PeJP NA NA +PJ034421 NQMMMM C29H52N8O9S4 784.274 NA PeJP NA NA +PJ034422 GGGAMMMM C29H52N8O9S4 784.2741 NA PeJP NA NA +PJ034423 GSCNMHH C29H44N12O10S2 784.2745 NA PeJP NA NA +PJ034424 SEEEEY C32H44N6O17 784.2763 NA PeJP NA NA +PJ034425 PDEMMY C33H48N6O12S2 784.2772 NA PeJP NA NA +PJ034426 DDDHHF C33H40N10O13 784.2777 NA PeJP NA NA +MJ094262 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C36H48O19 784.278979 NA MeJP NA NA +MJ094263 2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?3)-[?-D-apiofuranosyl-(1?6)] -[4-hydroxy-3-methoxy-Z-cinnamoyl-(?4)]-?-D-glucopyranoside] C36H48O19 784.278979 NA MeJP NA NA +MJ094264 2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?3)-[?-D-apiofuranosyl-(1?6)]-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C36H48O19 784.278979 NA MeJP NA NA +MJ094265 Lagotoside C36H48O19 784.278979 NA MeJP NA NA +MJ094266 Pedicularioside A; 3'',4-Di-Me ether C36H48O19 784.278979 NA MeJP NA NA +MJ094267 Pedicularioside H C36H48O19 784.278979 NA MeJP NA NA +MJ094268 Pedicularioside I C36H48O19 784.278979 NA MeJP NA NA +PJ034427 CNDDRY C30H44N10O13S 784.281 NA PeJP NA NA +PJ034428 GGGGGGGTCY C30H44N10O13S 784.2811 NA PeJP NA NA +PJ034429 SCCMRW C31H48N10O8S3 784.2819 NA PeJP NA NA +PJ034430 CDHHHH C31H40N14O9S 784.2824 NA PeJP NA NA +PJ034431 SSSCDMR C27H48N10O13S2 784.2844 NA PeJP NA NA +PJ034432 GNDMYW C35H44N8O11S 784.2851 NA PeJP NA NA +PJ034433 CNMMMR C28H52N10O8S4 784.2853 NA PeJP NA NA +PJ034434 GSTNDEY C31H44N8O16 784.2875 NA PeJP NA NA +PJ034435 GSSNEEY C31H44N8O16 784.2876 NA PeJP NA NA +PJ034436 GSSSMMW C32H48N8O11S2 784.2884 NA PeJP NA NA +PJ034437 GSSSSTEM C28H48N8O16S 784.2909 NA PeJP NA NA +PJ034438 PDDEFY C36H44N6O14 784.2916 NA PeJP NA NA +PJ034439 GSTQMMM C29H52N8O11S3 784.2918 NA PeJP NA NA +PJ034440 SSSCQHH C29H44N12O12S 784.2923 NA PeJP NA NA +MJ094269 Antibiotic MA 144 U7; 4'''-Ketone C40H48O16 784.294235 NA MeJP NA NA +MJ094270 Cinerubin X C40H48O16 784.294235 NA MeJP NA NA +PJ034441 VDEEMY C33H48N6O14S 784.295 NA PeJP NA NA +PJ034442 PEMMMF C34H52N6O9S3 784.2958 NA PeJP NA NA +PJ034443 PCNEHW C34H44N10O10S 784.2963 NA PeJP NA NA +PJ034444 SSSNNNY C30H44N10O15 784.2988 NA PeJP NA NA +PJ034445 LEMMMM C31H56N6O9S4 784.2992 NA PeJP NA NA +PJ034446 GSPCCRY C31H48N10O10S2 784.2997 NA PeJP NA NA +PJ034447 CQYWW C39H44N8O8S 784.3003 NA PeJP NA NA +PJ034448 SSNEYW C35H44N8O13 784.3028 NA PeJP NA NA +PJ034449 GSTCMMR C28H52N10O10S3 784.303 NA PeJP NA NA +PJ034450 GNMMFW C36H48N8O8S2 784.3037 NA PeJP NA NA +PJ034451 SSSSTMW C32H48N8O13S 784.3062 NA PeJP NA NA +PJ034452 NYYYY C40H44N6O11 784.3068 NA PeJP NA NA +PJ034453 SCKMMW C33H52N8O8S3 784.3071 NA PeJP NA NA +PJ034454 CNQHHF C33H44N12O9S 784.3075 NA PeJP NA NA +PJ034455 SSSSSTTE C28H48N8O18 784.3087 NA PeJP NA NA +PJ034456 SSSDKMM C29H52N8O13S2 784.3095 NA PeJP NA NA +PJ034457 AASSSTMM C29H52N8O13S2 784.3096 NA PeJP NA NA +PJ034458 NDDEHR C29H44N12O14 784.31 NA PeJP NA NA +PJ034459 GGGGGGGTEH C29H44N12O14 784.3101 NA PeJP NA NA +PJ034460 PPDMYY C37H48N6O11S 784.3102 NA PeJP NA NA +PJ034461 NKMMMM C30H56N8O8S4 784.3104 NA PeJP NA NA +PJ034462 GTCCKHH C30H48N12O9S2 784.3109 NA PeJP NA NA +PJ034463 GPCHWW C38H44N10O7S 784.3116 NA PeJP NA NA +PJ034464 VEEMMF C34H52N6O11S2 784.3136 NA PeJP NA NA +PJ034465 ANEEHW C34H44N10O12 784.314 NA PeJP NA NA +PJ034466 GQEEHW C34H44N10O12 784.3141 NA PeJP NA NA +PJ034467 ACCFRW C35H48N10O7S2 784.3149 NA PeJP NA NA +PJ034468 SNDMRY C31H48N10O12S 784.3174 NA PeJP NA NA +PJ034469 GSSYWW C39H44N8O10 784.3181 NA PeJP NA NA +PJ034470 VMMMHH C32H52N10O7S3 784.3183 NA PeJP NA NA +PJ034471 SMHHHH C32H44N14O8S 784.3188 NA PeJP NA NA +PJ034472 SSSSMMR C28H52N10O12S2 784.3208 NA PeJP NA NA +PJ034473 GTQMYW C36H48N8O10S 784.3214 NA PeJP NA NA +PJ034474 GGGGPMFY C36H48N8O10S 784.3215 NA PeJP NA NA +PJ034475 GSSDKEY C32H48N8O15 784.3239 NA PeJP NA NA +PJ034476 LEEEEH C32H48N8O15 784.324 NA PeJP NA NA +PJ034477 VNQMMY C33H52N8O10S2 784.3248 NA PeJP NA NA +PJ034478 GDDHRW C33H44N12O11 784.3253 NA PeJP NA NA +PJ034479 SSSSSSLM C29H52N8O15S 784.3273 NA PeJP NA NA +PJ034480 PVDEYY C37H48N6O13 784.328 NA PeJP NA NA +PJ034481 GSTKMMM C30H56N8O10S3 784.3282 NA PeJP NA NA +PJ034482 SSSCKHH C30H48N12O11S 784.3286 NA PeJP NA NA +PJ034483 GSPCEHR C30H48N12O11S 784.3287 NA PeJP NA NA +PJ034484 PPMMFY C38H52N6O8S2 784.3288 NA PeJP NA NA +PJ034485 QEHWW C38H44N10O9 784.3293 NA PeJP NA NA +PJ034486 TLEEMY C34H52N6O13S 784.3313 NA PeJP NA NA +PJ034487 PLMMMY C35H56N6O8S3 784.3322 NA PeJP NA NA +PJ034488 GTCRYW C35H48N10O9S 784.3327 NA PeJP NA NA +PJ034489 GSSSERY C31H48N10O14 784.3352 NA PeJP NA NA +PJ034490 GQMMRY C32H52N10O9S2 784.336 NA PeJP NA NA +PJ034491 GGAMMRY C32H52N10O9S2 784.3361 NA PeJP NA NA +PJ034492 GSPNHHH C32H44N14O10 784.3365 NA PeJP NA NA +PJ034493 CKYWW C40H48N8O7S 784.3367 NA PeJP NA NA +PJ034494 SSDKYW C36H48N8O12 784.3392 NA PeJP NA NA +PJ034495 NNNMHR C29H48N14O10S 784.3399 NA PeJP NA NA +PJ034496 ACKMFW C37H52N8O7S2 784.3401 NA PeJP NA NA +PJ034497 SQKEMY C33H52N8O12S 784.3426 NA PeJP NA NA +PJ034498 PPDFFY C41H48N6O10 784.3432 NA PeJP NA NA +PJ034499 SPCHRW C34H48N12O8S 784.3439 NA PeJP NA NA +PJ034500 AHWWW C42H44N10O6 784.3446 NA PeJP NA NA +PJ034501 SSSTTTTT C29H52N8O17 784.3451 NA PeJP NA NA +PJ034502 SSTTKMM C30H56N8O12S2 784.3459 NA PeJP NA NA +PJ034503 SQEEHR C30H48N12O13 784.3464 NA PeJP NA NA +PJ034504 GGGGGGGGGGPV C30H48N12O13 784.3465 NA PeJP NA NA +PJ034505 PVEMFY C38H52N6O10S 784.3466 NA PeJP NA NA +MJ094271 Tremasterol A C35H61O15PS 784.346878 NA MeJP NA NA +PJ034506 GCMRRY C31H52N12O8S2 784.3473 NA PeJP NA NA +PJ034507 VLEMMY C35H56N6O10S2 784.35 NA PeJP NA NA +PJ034508 SSSRYW C35H48N10O11 784.3504 NA PeJP NA NA +PJ034509 GGGGASPPW C35H48N10O11 784.3505 NA PeJP NA NA +PJ034510 AHHHHF C36H44N14O7 784.3518 NA PeJP NA NA +PJ034511 STQMRY C32H52N10O11S 784.3538 NA PeJP NA NA +PJ034512 ATHFFY C40H48N8O9 784.3544 NA PeJP NA NA +PJ034513 APPEWW C40H48N8O9 784.3545 NA PeJP NA NA +PJ034514 GSSNQHR C29H48N14O12 784.3576 NA PeJP NA NA +PJ034515 SDDHRR C29H48N14O12 784.3577 NA PeJP NA NA +PJ034516 GTKMYW C37H52N8O9S 784.3578 NA PeJP NA NA +PJ034517 GSTTKEY C33H52N8O14 784.3603 NA PeJP NA NA +PJ034518 VNKMMY C34H56N8O9S2 784.3612 NA PeJP NA NA +PJ034519 GTEHRW C34H48N12O10 784.3617 NA PeJP NA NA +PJ034520 PPMFFF C42H52N6O7S 784.3619 NA PeJP NA NA +PJ034521 PTLEYY C38H52N6O12 784.3643 NA PeJP NA NA +PJ034522 VVEEFY C38H52N6O12 784.3644 NA PeJP NA NA +PJ034523 STCRRY C31H52N12O10S 784.365 NA PeJP NA NA +PJ034524 GGVEMHR C31H52N12O10S 784.3651 NA PeJP NA NA +PJ034525 PLMMFF C39H56N6O7S2 784.3652 NA PeJP NA NA +PJ034526 KEHWW C39H48N10O8 784.3657 NA PeJP NA NA +MJ094272 14,15-Epoxy-1,3,7,11,12-pentahydroxymeliacan-28-oic acid, 1-Tigloyl, 12-(2-methylpropanoyl), 3,7,11-tri-Ac, Me ester C42H56O14 784.367006 NA MeJP NA NA +PJ034527 LLMMMF C36H60N6O7S3 784.3686 NA PeJP NA NA +PJ034528 SPKMHW C36H52N10O8S 784.3691 NA PeJP NA NA +PJ034529 SSSTTFR C32H52N10O13 784.3715 NA PeJP NA NA +PJ034530 GSTTTRY C32H52N10O13 784.3716 NA PeJP NA NA +PJ034531 GKMMRY C33H56N10O8S2 784.3724 NA PeJP NA NA +PJ034532 VQQHHH C33H48N14O9 784.3729 NA PeJP NA NA +PJ034533 STTKYW C37H52N8O11 784.3756 NA PeJP NA NA +PJ034534 GEMHRR C30H52N14O9S 784.3763 NA PeJP NA NA +PJ034535 THRWW C38H48N12O7 784.3769 NA PeJP NA NA +PJ034536 SKKEMY C34H56N8O11S 784.3789 NA PeJP NA NA +PJ034537 TDKKMY C34H56N8O11S 784.379 NA PeJP NA NA +PJ034538 PPVFYY C42H52N6O9 784.3796 NA PeJP NA NA +PJ034539 GVMHRW C35H52N12O7S 784.3803 NA PeJP NA NA +PJ034540 SKEEHR C31H52N12O12 784.3828 NA PeJP NA NA +PJ034541 PVLMYY C39H56N6O9S 784.383 NA PeJP NA NA +PJ034542 AQHHHR C32H48N16O8 784.3841 NA PeJP NA NA +PJ034543 GAAHHHR C32H48N16O8 784.3842 NA PeJP NA NA +PJ034544 PPTERW C36H52N10O10 784.3868 NA PeJP NA NA +MJ094273 16-Hydroxypregna-4,17(20)-dien-3-one, 16-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C39H60O16 784.388135 NA MeJP NA NA +MJ094274 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-2,3-di-O-methyl-?-D-glucopyranoside] C39H60O16 784.388135 NA MeJP NA NA +3643 NA YPFGFR~ 784.389 ACE inhibitor Inhouse_peptide NA peptide +PJ034545 STKMRY C33H56N10O10S 784.3902 NA PeJP NA NA +PJ034546 SPPLWW C41H52N8O8 784.3908 NA PeJP NA NA +PJ034547 MHRRW C34H52N14O6S 784.3915 NA PeJP NA NA +PJ034548 STEHRR C30H52N14O11 784.394 NA PeJP NA NA +PJ034549 GGGGPERR C30H52N14O11 784.3941 NA PeJP NA NA +PJ034550 AAPPLMW C38H56N8O8S 784.3942 NA PeJP NA NA +PJ034551 SSSTLKY C34H56N8O13 784.3967 NA PeJP NA NA +PJ034552 CLKKMY C35H60N8O8S2 784.3976 NA PeJP NA NA +PJ034553 QRRYY C35H52N12O9 784.398 NA PeJP NA NA +PJ034554 SSLHRW C35H52N12O9 784.3981 NA PeJP NA NA +PJ034555 VVLEYY C39H56N6O11 784.4007 NA PeJP NA NA +PJ034556 PPEMRR C32H56N12O9S 784.4014 NA PeJP NA NA +PJ034557 APKHFW C40H52N10O7 784.4021 NA PeJP NA NA +PJ034558 PPVMRW C37H56N10O7S 784.4055 NA PeJP NA NA +PJ034559 SSPPLER C33H56N10O12 784.4079 NA PeJP NA NA +PJ034560 AAPLEER C33H56N10O12 784.408 NA PeJP NA NA +PJ034561 GPNRRW C34H52N14O8 784.4093 NA PeJP NA NA +MJ094275 Pseudostellarin F C38H56N8O10 784.41194 NA MeJP NA NA +PJ034562 PLLQEW C38H56N8O10 784.412 NA PeJP NA NA +PJ034563 SVMHRR C31H56N14O8S 784.4127 NA PeJP NA NA +PJ034564 APPLKEM C35H60N8O10S 784.4153 NA PeJP NA NA +PJ034565 PPVVDKM C35H60N8O10S 784.4154 NA PeJP NA NA +PJ034566 PVLFFY C43H56N6O8 784.416 NA PeJP NA NA +PJ034567 PVEERR C32H56N12O11 784.4192 NA PeJP NA NA +PJ034568 VLLMFY C40H60N6O8S 784.4194 NA PeJP NA NA +PJ034569 AKHHHR C33H52N16O7 784.4205 NA PeJP NA NA +PJ034570 PVVERW C37H56N10O9 784.4232 NA PeJP NA NA +MJ094276 1,3,22-Trihydroxyergosta-5,24-dien-26-oic acid, 3-O-?-D-Glucopyranoside, 26-O-?-D-glucopyranosyl ester C40H64O15 784.424521 NA MeJP NA NA +PJ034571 APPTLMR C34H60N10O9S 784.4266 NA PeJP NA NA +PJ034572 APLLWW C42H56N8O7 784.4272 NA PeJP NA NA +PJ034573 PNDKRR C31H56N14O10 784.4304 NA PeJP NA NA +PJ034574 CLKKFF C39H60N8O7S 784.4306 NA PeJP NA NA +PJ034575 GPLLKEE C35H60N8O12 784.4331 NA PeJP NA NA +PJ034576 APQKRW C36H56N12O8 784.4344 NA PeJP NA NA +PJ034577 GAAPKRW C36H56N12O8 784.4345 NA PeJP NA NA +PJ034578 TLLLYY C40H60N6O10 784.4371 NA PeJP NA NA +PJ034579 TLKMHR C33H60N12O8S 784.4378 NA PeJP NA NA +MJ094277 Antibiotic VM 44866; 13?-(2-Methylbutanoyloxy), 23?-(2-methylpropanoyloxy), 5-Me ether C44H64O12 784.439777 NA MeJP NA NA +PJ034580 SPNRRR C30H56N16O9 784.4417 NA PeJP NA NA +PJ034581 GPTLLER C34H60N10O11 784.4443 NA PeJP NA NA +PJ034582 GGGPLKKE C34H60N10O11 784.4444 NA PeJP NA NA +PJ034583 GLHFRR C35H56N14O7 784.4457 NA PeJP NA NA +PJ034584 ALKKYY C39H60N8O9 784.4483 NA PeJP NA NA +PJ034585 PLLKEW C39H60N8O9 784.4484 NA PeJP NA NA +PJ034586 SPPLLKM C36H64N8O9S 784.4517 NA PeJP NA NA +PJ034587 VLLFFF C44H60N6O7 784.4524 NA PeJP NA NA +PJ034588 PQKKER C33H60N12O10 784.4556 NA PeJP NA NA +PJ034589 PTLLRW C38H60N10O8 784.4596 NA PeJP NA NA +C08924 Astragaloside III C41H68O14 784.4609 NA KEGG NA NA +MJ094278 12-Oleanene-3,15,16,21,22,28-hexol, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-L-rhamnopyranoside] C41H68O14 784.460906 NA MeJP NA NA +MJ094279 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Xylopyranoside, 25-O-?-D-glucopyranoside C41H68O14 784.460906 NA MeJP NA NA +MJ094280 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Xylopyranoside, 6-O-?-D-glucopyranoside C41H68O14 784.460906 NA MeJP NA NA +MJ094281 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] C41H68O14 784.460906 NA MeJP NA NA +MJ094282 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside] C41H68O14 784.460906 NA MeJP NA NA +MJ094283 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Xylopyranoside, 6-O-?-D-glucopyranoside C41H68O14 784.460906 NA MeJP NA NA +MJ094284 20,25-Epoxycycloartane-3,6,16,24-tetrol, 3-O-?-D-Xylopyranoside, 6-O-?-D-glucopyranoside C41H68O14 784.460906 NA MeJP NA NA +MJ094285 3,20,25,30-Tetrahydroxydammar-23-en-16-one, 3-O-?-L-Arabinopyranoside, 30-O-?-D-glucopyranoside C41H68O14 784.460906 NA MeJP NA NA +PJ034590 GPVLLMR C35H64N10O8S 784.463 NA PeJP NA NA +PJ034591 PTQKRR C32H60N14O9 784.4668 NA PeJP NA NA +PJ034592 SPVLLKE C36H64N8O11 784.4695 NA PeJP NA NA +PJ034593 APKKRW C37H60N12O7 784.4708 NA PeJP NA NA +PJ034594 PLLMRR C34H64N12O7S 784.4742 NA PeJP NA NA +PJ034595 GLQRRR C31H60N16O8 784.478 NA PeJP NA NA +PJ034596 GGALRRR C31H60N16O8 784.4781 NA PeJP NA NA +PJ034597 AALLLER C35H64N10O10 784.4807 NA PeJP NA NA +PJ034598 LLLLQW C40H64N8O8 784.4847 NA PeJP NA NA +PJ034599 GALLLLW C40H64N8O8 784.4848 NA PeJP NA NA +PJ034600 APLLLKM C37H68N8O8S 784.4881 NA PeJP NA NA +PJ034601 AARRRR C30H60N18O7 784.4893 NA PeJP NA NA +PJ034602 VLLERR C34H64N12O9 784.492 NA PeJP NA NA +C11280 Dolastatin 10 C42H68N6O6S 784.4921 NA KEGG NA NA +MJ094286 Dolastatin 10 C42H68N6O6S 784.492104 NA MeJP NA NA +PJ034603 VVLLRW C39H64N10O7 784.496 NA PeJP NA NA +MJ094287 Antibiotic CP 51532 C42H72O13 784.497292 NA MeJP NA NA +MJ094288 Cycloartane-3,11,16,24-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C42H72O13 784.497292 NA MeJP NA NA +MJ094289 Dammar-24-ene-2,3,12,20-tetrol, 20-O-?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside C42H72O13 784.497292 NA MeJP NA NA +MJ094290 Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H72O13 784.497292 NA MeJP NA NA +MJ094291 Dammar-24-ene-3,12,20-triol, 3,20-Di-O-?-D-glucopyranoside C42H72O13 784.497292 NA MeJP NA NA +MJ094292 Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H72O13 784.497292 NA MeJP NA NA +MJ094293 Dammar-24-ene-3,20,26-triol, 3,26-Di-O-?-D-glucopyranoside C42H72O13 784.497292 NA MeJP NA NA +MJ094294 Dammar-24-ene-3,6,12,20-tetrol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C42H72O13 784.497292 NA MeJP NA NA +MJ094295 Dammar-24-ene-3,6,20,27-tetrol, 20-O-?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside C42H72O13 784.497292 NA MeJP NA NA +PJ034604 PTKKRR C33H64N14O8 784.5032 NA PeJP NA NA +PJ034605 GLLLLKE C37H68N8O10 784.5059 NA PeJP NA NA +PJ034606 GLKRRR C32H64N16O7 784.5144 NA PeJP NA NA +PJ034607 GTLLLLR C36H68N10O9 784.5171 NA PeJP NA NA +PJ034608 LLLLKW C41H68N8O7 784.5211 NA PeJP NA NA +PJ034609 LLQKKR C35H68N12O8 784.5283 NA PeJP NA NA +PJ034610 VVKKRR C34H68N14O7 784.5396 NA PeJP NA NA +PJ034611 SVLLLLK C38H72N8O9 784.5423 NA PeJP NA NA +PJ034612 GVLLKKK C37H72N10O8 784.5535 NA PeJP NA NA +PJ034613 LLKKKR C36H72N12O7 784.5647 NA PeJP NA NA +EUR1088 SM(d18:1/18:3) [M-H+acetate]- C41H77N2O6P 784.573026 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1088 SM(d18:1/18:3) [M-H+acetate]- C41H77N2O6P 784.573026 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1088 SM(d18:1/18:3) [M-H+acetate]- C41H77N2O6P 784.573026 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1088 SM(d18:1/18:3) [M-H+acetate]- C41H77N2O6P 784.573026 masses lipides attendues Inhousejuil11 NA NA +HMDB12104 SM(d18:1/22:1(13Z)) C45H89N2O6P 784.645813 NA HMDB2010 NA NA +EUR1104 SM(d18:1/22:1) monoisotopic mass C45H89N2O6P 784.645826 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1104 SM(d18:1/22:1) monoisotopic mass C45H89N2O6P 784.645826 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1104 SM(d18:1/22:1) monoisotopic mass C45H89N2O6P 784.645826 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1104 SM(d18:1/22:1) monoisotopic mass C45H89N2O6P 784.645826 masses lipides attendues Inhousejuil11 NA NA +MJ094296 29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-Deoxy, 35-(N-8Z-hexadecenoylamino) C51H94NO4 784.718285 NA MeJP NA NA +MJ094297 7,13-Labdadiene-15,17-diol, 15-(32-Hydroxydotriacontanoyl) C52H96O4 784.730861 NA MeJP NA NA +MJ094298 7,13-Labdadiene-3,15-diol, 15-(32-Hydroxydotriacontanoyl) C52H96O4 784.730861 NA MeJP NA NA +MJ094299 Amphiasterin A4; 36',37'-Didehydro(E-) C53H100O3 784.767247 NA MeJP NA NA +PJ034614 CCCCCDH C25H39N9O10S5 785.1424 NA PeJP NA NA +EUR351 Flavine adenine dinucleotide F1 NA 785.156475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR351 Flavine adenine dinucleotide F1 NA 785.156475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR351 Flavine adenine dinucleotide F1 NA 785.156475 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR351 Flavine adenine dinucleotide F1 NA 785.156475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR351 Flavine adenine dinucleotide F1 NA 785.156475 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR351 Flavine adenine dinucleotide F1 NA 785.156475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR351 Flavine adenine dinucleotide F1 NA 785.156475 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR351 Flavine adénine dinucléotide F1 NA 785.156475 standards wishlist analysés sur QTOF HMDB NA NA +EUR351 Flavine adenine dinucleotide F1 NA 785.156475 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR351 Flavine adenine dinucleotide F1 NA 785.156475 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR351 Flavine adenine dinucleotide F1 NA 785.156475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR351 Flavine adenine dinucleotide F1 NA 785.156475 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR057 flavin adenine dinucleotide C27H33N9O15P2 785.1571 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01248 FAD C27H33N9O15P2 785.1571 http://www.hmdb.ca/metabolites/HMDB01248 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR057 flavin adenine dinucleotide C27H33N9O15P2 785.1571 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR057 flavin adenine dinucleotide C27H33N9O15P2 785.1571 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB01248 FAD C27H33N9O15P2 785.1571 http://www.hmdb.ca/metabolites/HMDB01248 HMDB NA NA +EUR057 flavin adenine dinucleotide C27H33N9O15P2 785.1571 Wishlist Inhousejuil11 NA NA +C00016 FAD C27H33N9O15P2 785.1571 NA KEGG NA NA +C00017 Protein C2H4NO2R 785.1571 NA KEGG NA NA +HMDB01248 FAD C27H33N9O15P2 785.1571 http://www.hmdb.ca/metabolites/HMDB01248 PFEM_hmdb_metabocards_blood NA blood +HMDB01248 FAD C27H33N9O15P2 785.1571 HMDB01248 PFEM_hmdb_metabocards_official NA NA +HMDB01248 FAD C27H33N9O15P2 785.157104 NA HMDB2010 NA NA +MJ094300 Flavine adenine dinucleotide C27H33N9O15P2 785.157134 NA MeJP NA NA +MJ094301 FAD C27H33N9O15P2 785.157134 NA MeJP NA NA +MetaCyc04136 FAD [flavin adenine dinucleotide oxidized;flavin adenine dinucleotide;flavitan;] C27H33N9O15P2 785.157134 146-14-5 metacyc NA NA +EUR057 Flavin adenine dinucleotide C27H33N9O15P2 785.157142 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR057 Flavin adenine dinucleotide C27H33N9O15P2 785.157142 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR057 Flavin adenine dinucleotide C27H33N9O15P2 785.157142 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR057 Flavin adenine dinucleotide C27H33N9O15P2 785.157142 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR057 Flavin adenine dinucleotide C27H33N9O15P2 785.157142 Wishlist HMDB NA NA +EUR057 Flavin adenine dinucleotide C27H33N9O15P2 785.157142 Wishlist Inhouse_PFEM NA NA +EUR057 Flavin adenine dinucleotide C27H33N9O15P2 785.157142 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR057 Flavin adenine dinucleotide C27H33N9O15P2 785.157142 Wishlist PFEM_hmdb_metabocards_official NA NA +PJ034615 CCCNNDD C25H39N9O14S3 785.1779 NA PeJP NA NA +PJ034616 SCCCCMH C26H43N9O9S5 785.1788 NA PeJP NA NA +PJ034617 SCCDDDE C26H39N7O17S2 785.1844 NA PeJP NA NA +PJ034618 PCCCDDM C27H43N7O12S4 785.1853 NA PeJP NA NA +PJ034619 GSPCCCCN C26H43N9O11S4 785.1965 NA PeJP NA NA +PJ034620 VCCCDDE C27H43N7O14S3 785.203 NA PeJP NA NA +PJ034621 GCDDDMM C27H43N7O14S3 785.2031 NA PeJP NA NA +PJ034622 ACCCCHF C30H43N9O8S4 785.2118 NA PeJP NA NA +PJ034623 SCCNNDM C26H43N9O13S3 785.2143 NA PeJP NA NA +PJ034624 GCDDDDF C30H39N7O16S 785.2174 NA PeJP NA NA +PJ034625 CCDEMW C31H43N7O11S3 785.2183 NA PeJP NA NA +PJ034626 SSCDDEM C27H43N7O16S2 785.2208 NA PeJP NA NA +PJ034627 SPCCDMM C28H47N7O11S4 785.2217 NA PeJP NA NA +PJ034628 GCCDDHH C28H39N11O12S2 785.2221 NA PeJP NA NA +FL7AAIGL0014 Malvidin 3-p-coumarylrutinoside C38H41O18 785.22928 757174-16-6 knapsack NA NA +PJ034629 GSCCCQW C30H43N9O10S3 785.2295 NA PeJP NA NA +PJ034630 GSSSCCNE C26H43N9O15S2 785.232 NA PeJP NA NA +PJ034631 GCCNQMM C27H47N9O10S4 785.2329 NA PeJP NA NA +PJ034632 GSDDDDY C30H39N7O18 785.2352 NA PeJP NA NA +PJ034633 GPCCDEY C31H43N7O13S2 785.2361 NA PeJP NA NA +PJ034634 GSDDMMM C28H47N7O13S3 785.2394 NA PeJP NA NA +PJ034635 APCCMMM C29H51N7O8S5 785.2403 NA PeJP NA NA +PJ034636 SPCCCHH C29H43N11O9S3 785.2408 NA PeJP NA NA +PJ034637 GCCCNMR C26H47N11O9S4 785.2441 NA PeJP NA NA +PJ034638 GGGCCCMR C26H47N11O9S4 785.2442 NA PeJP NA NA +PJ034639 SSSCCNW C30H43N9O12S2 785.2473 NA PeJP NA NA +PJ034640 SSSSSCND C26H43N9O17S 785.2498 NA PeJP NA NA +PJ034641 SSCNNMM C27H47N9O12S3 785.2506 NA PeJP NA NA +PJ034642 GGSSCNMM C27H47N9O12S3 785.2507 NA PeJP NA NA +PJ034643 PCCDYW C35H43N7O10S2 785.2513 NA PeJP NA NA +PJ034644 NDDEMY C31H43N7O15S 785.2538 NA PeJP NA NA +PJ034645 SCEMMW C32H47N7O10S3 785.2547 NA PeJP NA NA +PJ034646 SSSDEMM C28H47N7O15S2 785.2572 NA PeJP NA NA +PJ034647 GNNDDDH C28H39N11O16 785.2577 NA PeJP NA NA +PJ034648 DQMMMM C29H51N7O10S4 785.258 NA PeJP NA NA +PJ034649 NEMMMM C29H51N7O10S4 785.2581 NA PeJP NA NA +PJ034650 GSCDMHH C29H43N11O11S2 785.2585 NA PeJP NA NA +PJ034651 SSCCCQR C26H47N11O11S3 785.2619 NA PeJP NA NA +PJ034652 CCNNFW C34H43N9O9S2 785.2625 NA PeJP NA NA +PJ034653 GGGGCCFW C34H43N9O9S2 785.2626 NA PeJP NA NA +PJ034654 GSCNNEY C30H43N9O14S 785.265 NA PeJP NA NA +PJ034655 CDDDRY C30H43N9O14S 785.2651 NA PeJP NA NA +PJ034656 GSCCCKW C31H47N9O9S3 785.2659 NA PeJP NA NA +PJ034657 GSSSSCQM C27H47N9O14S2 785.2684 NA PeJP NA NA +PJ034658 GDDMYW C35H43N7O12S 785.2691 NA PeJP NA NA +PJ034659 CDMMMR C28H51N9O9S4 785.2693 NA PeJP NA NA +PJ034660 PCCMFW C36H47N7O7S3 785.2699 NA PeJP NA NA +PJ034661 GSSDEEY C31H43N7O17 785.2716 NA PeJP NA NA +PJ034662 GSPCEMY C32H47N7O12S2 785.2724 NA PeJP NA NA +PJ034663 GMMMMW C33H51N7O7S4 785.2733 NA PeJP NA NA +PJ034664 TCCHHW C33H43N11O8S2 785.2738 NA PeJP NA NA +PJ034665 GSTEMMM C29H51N7O12S3 785.2758 NA PeJP NA NA +PJ034666 SSSCEHH C29H43N11O13S 785.2763 NA PeJP NA NA +PJ034667 CQMMHH C30H47N11O8S3 785.2772 NA PeJP NA NA +PJ034668 GSSSSCCR C26H47N11O13S2 785.2797 NA PeJP NA NA +PJ034669 SCNNYW C34H43N9O11S 785.2803 NA PeJP NA NA +PJ034670 ACCCCKR C27H51N11O8S4 785.2805 NA PeJP NA NA +PJ034671 SSSNNDY C30H43N9O16 785.2828 NA PeJP NA NA +PJ034672 NNNMMY C31H47N9O11S2 785.2837 NA PeJP NA NA +PJ034673 CEYWW C39H43N7O9S 785.2843 NA PeJP NA NA +PJ034674 SSSSSSNM C27H47N9O16S 785.2862 NA PeJP NA NA +PJ034675 SSDEYW C35H43N7O14 785.2868 NA PeJP NA NA +PJ034676 SSCCQKM C28H51N9O11S3 785.287 NA PeJP NA NA +PJ034677 GGSTCCKM C28H51N9O11S3 785.2871 NA PeJP NA NA +PJ034678 GCNNNQH C28H43N13O12S 785.2875 NA PeJP NA NA +PJ034679 GGGGGGGGACH C28H43N13O12S 785.2876 NA PeJP NA NA +PJ034680 SPCMYW C36H47N7O9S2 785.2877 NA PeJP NA NA +PJ034681 CCMHHR C29H47N13O7S3 785.2884 NA PeJP NA NA +PJ034682 SQEEMY C32H47N7O14S 785.2902 NA PeJP NA NA +PJ034683 DYYYY C40H43N5O12 785.2908 NA PeJP NA NA +PJ034684 STMMMW C33H51N7O9S3 785.2911 NA PeJP NA NA +PJ034685 CNEHHF C33H43N11O10S 785.2915 NA PeJP NA NA +PJ034686 SSTTEMM C29H51N7O14S2 785.2936 NA PeJP NA NA +PJ034687 GSNNEEH C29H43N11O15 785.294 NA PeJP NA NA +PJ034688 DDDEHR C29H43N11O15 785.2941 NA PeJP NA NA +PJ034689 DKMMMM C30H55N7O9S4 785.2944 NA PeJP NA NA +PJ034690 CCNQRY C30H47N11O10S2 785.2949 NA PeJP NA NA +PJ034691 GEEEHW C34H43N9O13 785.2981 NA PeJP NA NA +PJ034692 SSCCCKR C27H51N11O10S3 785.2983 NA PeJP NA NA +PJ034693 SDDMRY C31H47N9O13S 785.3014 NA PeJP NA NA +PJ034694 GGGSPPPCD C31H47N9O13S 785.3015 NA PeJP NA NA +PJ034695 GDDFFW C39H43N7O11 785.3021 NA PeJP NA NA +PJ034696 APPCMMH C32H51N9O8S3 785.3023 NA PeJP NA NA +PJ034697 GSSSSSSST C27H47N9O18 785.3039 NA PeJP NA NA +PJ034698 GSSSSCKM C28H51N9O13S2 785.3048 NA PeJP NA NA +PJ034699 SSNNNNH C28H43N13O14 785.3053 NA PeJP NA NA +PJ034700 ASEMYW C36H47N7O11S 785.3054 NA PeJP NA NA +PJ034701 GTEMYW C36H47N7O11S 785.3055 NA PeJP NA NA +PJ034702 SMMMMR C29H55N9O8S4 785.3057 NA PeJP NA NA +PJ034703 GPCCNHR C29H47N13O9S2 785.3061 NA PeJP NA NA +PJ034704 GGGPCCHR C29H47N13O9S2 785.3062 NA PeJP NA NA +PJ034705 GCHHFW C37H43N11O7S 785.3068 NA PeJP NA NA +PJ034706 ASSTEEY C32H47N7O16 785.3079 NA PeJP NA NA +PJ034707 GSTTEEY C32H47N7O16 785.308 NA PeJP NA NA +PJ034708 VNEMMY C33H51N7O11S2 785.3088 NA PeJP NA NA +PJ034709 SNNEHW C33H43N11O12 785.3093 NA PeJP NA NA +PJ034710 MFYYY C41H47N5O9S 785.3095 NA PeJP NA NA +PJ034711 SSSLMMM C30H55N7O11S3 785.3122 NA PeJP NA NA +PJ034712 GSSCNRY C30H47N11O12S 785.3127 NA PeJP NA NA +PJ034713 EEHWW C38H43N9O10 785.3133 NA PeJP NA NA +PJ034714 CKMMHH C31H51N11O7S3 785.3135 NA PeJP NA NA +PJ034715 SPEMHW C35H47N9O10S 785.3167 NA PeJP NA NA +PJ034716 SSSSQQY C31H47N9O15 785.3192 NA PeJP NA NA +PJ034717 GEMMRY C32H51N9O10S2 785.3201 NA PeJP NA NA +PJ034718 GSPDHHH C32H43N13O11 785.3205 NA PeJP NA NA +PJ034719 TMYWW C40H47N7O8S 785.3207 NA PeJP NA NA +PJ034720 SSSSSTCK C28H51N9O15S 785.3226 NA PeJP NA NA +PJ034721 STTEYW C36H47N7O13 785.3232 NA PeJP NA NA +PJ034722 SSCCKKM C29H55N9O10S3 785.3234 NA PeJP NA NA +PJ034723 NNDMHR C29H47N13O11S 785.3239 NA PeJP NA NA +PJ034724 GVMMYW C37H51N7O8S2 785.3241 NA PeJP NA NA +PJ034725 GSNHWW C37H43N11O9 785.3246 NA PeJP NA NA +MJ094302 Betaclamycin M; 4C-Ketone C40H51NO15 785.325869 NA MeJP NA NA +MJ094303 Streptovaricin; Streptovaricin G C40H51NO15 785.325869 NA MeJP NA NA +MJ094304 Trisarubinicol C40H51NO15 785.325869 NA MeJP NA NA +PJ034726 SKEEMY C33H51N7O13S 785.3266 NA PeJP NA NA +PJ034727 VQMMMF C34H55N7O8S3 785.3275 NA PeJP NA NA +PJ034728 GQQMHW C34H47N11O9S 785.3279 NA PeJP NA NA +PJ034729 TTTTTMM C30H55N7O13S2 785.3299 NA PeJP NA NA +PJ034730 SEEEHR C30H47N11O14 785.3304 NA PeJP NA NA +PJ034731 GGGGGGAPQE C30H47N11O14 785.3305 NA PeJP NA NA +PJ034732 CCNKRY C31H51N11O9S2 785.3313 NA PeJP NA NA +PJ034733 NNQHHH C31H43N15O10 785.3318 NA PeJP NA NA +PJ034734 PPCHFW C39H47N9O7S 785.332 NA PeJP NA NA +PJ034735 SVEEHW C35H47N9O12 785.3344 NA PeJP NA NA +PJ034736 VTDEHW C35H47N9O12 785.3345 NA PeJP NA NA +PJ034737 MMRYW C36H51N9O7S2 785.3353 NA PeJP NA NA +PJ034738 STEMRY C32H51N9O12S 785.3378 NA PeJP NA NA +PJ034739 GPTYYW C40H47N7O10 785.3385 NA PeJP NA NA +PJ034740 AMMMFR C33H55N9O7S3 785.3387 NA PeJP NA NA +PJ034741 GCQHRW C33H47N13O8S 785.3392 NA PeJP NA NA +PJ034742 GSSNEHR C29H47N13O13 785.3417 NA PeJP NA NA +PJ034743 SSLMYW C37H51N7O10S 785.3418 NA PeJP NA NA +PJ034744 GGVEMFF C37H51N7O10S 785.3419 NA PeJP NA NA +PJ034745 FFFYY C45H47N5O8 785.3425 NA PeJP NA NA +PJ034746 SSSTLEY C33H51N7O15 785.3443 NA PeJP NA NA +PJ034747 PPVTDEE C33H51N7O15 785.3444 NA PeJP NA NA +PJ034748 VDKMMY C34H55N7O10S2 785.3452 NA PeJP NA NA +PJ034749 SNDKHW C34H47N11O11 785.3457 NA PeJP NA NA +PJ034750 AATQQMH C31H51N11O11S 785.349 NA PeJP NA NA +PJ034751 VDEMHR C31H51N11O11S 785.3491 NA PeJP NA NA +PJ034752 SPPNWW C39H47N9O9 785.3497 NA PeJP NA NA +PJ034753 PCHHHR C32H47N15O7S 785.3504 NA PeJP NA NA +MJ094305 Rifaximin C43H51N3O11 785.352359 NA MeJP NA NA +PJ034754 ALEMHW C36H51N9O9S 785.3531 NA PeJP NA NA +PJ034755 TFFWW C44H47N7O7 785.3537 NA PeJP NA NA +PJ034756 SSSSQKY C32H51N9O14 785.3556 NA PeJP NA NA +PJ034757 SVMMRY C33H55N9O9S2 785.3564 NA PeJP NA NA +PJ034758 GGCKKMY C33H55N9O9S2 785.3565 NA PeJP NA NA +PJ034759 SSNHRW C33H47N13O10 785.3569 NA PeJP NA NA +PJ034760 GVMFFW C41H51N7O7S 785.3571 NA PeJP NA NA +PJ034761 SPKEYY C37H51N7O12 785.3596 NA PeJP NA NA +PJ034762 SQQMHR C30H51N13O10S 785.3603 NA PeJP NA NA +PJ034763 AQHHFF C38H47N11O8 785.3609 NA PeJP NA NA +PJ034764 GAAHHFF C38H47N11O8 785.361 NA PeJP NA NA +3730 NA YPFGFVG 785.361 ACE inhibitor Inhouse_peptide NA peptide +MJ094306 4(20),11-Taxadiene-1,2,5,7,9,10,13-heptol, 5-O-(3-Dimethylamino-2-hydroxy-3-phenylpropanoyl), 2,7,9,10,13-penta-Ac C41H55NO14 785.362255 NA MeJP NA NA +PJ034765 GTTTLMY C34H55N7O12S 785.363 NA PeJP NA NA +PJ034766 VKMMMF C35H59N7O7S3 785.3638 NA PeJP NA NA +PJ034767 PPCQRW C35H51N11O8S 785.3643 NA PeJP NA NA +PJ034768 PQQEER C31H51N11O13 785.3668 NA PeJP NA NA +PJ034769 APCCKKH C32H55N11O8S2 785.3677 NA PeJP NA NA +PJ034770 AEHHHR C32H47N15O9 785.3682 NA PeJP NA NA +PJ034771 MFFRW C40H51N9O6S 785.3683 NA PeJP NA NA +PJ034772 TTLEHW C36H51N9O11 785.3708 NA PeJP NA NA +PJ034773 GGGAPLEW C36H51N9O11 785.3709 NA PeJP NA NA +PJ034774 SCQHRR C29H51N15O9S 785.3715 NA PeJP NA NA +PJ034775 GLHHHW C37H47N13O7 785.3722 NA PeJP NA NA +PJ034776 GSTCKKY C33H55N9O11S 785.3742 NA PeJP NA NA +PJ034777 AALYYW C41H51N7O9 785.3748 NA PeJP NA NA +PJ034778 GVVYYW C41H51N7O9 785.3749 NA PeJP NA NA +PJ034779 GCKHRW C34H51N13O7S 785.3756 NA PeJP NA NA +PJ034780 GSTTQHR C30H51N13O12 785.378 NA PeJP NA NA +PJ034781 PNDERR C30H51N13O12 785.3781 NA PeJP NA NA +PJ034782 PCLKYY C38H55N7O9S 785.3782 NA PeJP NA NA +PJ034783 STTTTLY C34H55N7O14 785.3807 NA PeJP NA NA +PJ034784 TLKMMY C35H59N7O9S2 785.3816 NA PeJP NA NA +PJ034785 APQERW C35H51N11O10 785.3821 NA PeJP NA NA +MJ094307 Leucomycin B; Leucomycin B4 C38H59NO16 785.383384 NA MeJP NA NA +PJ034786 TLEMHR C32H55N11O10S 785.3854 NA PeJP NA NA +PJ034787 GGAPPTMR C32H55N11O10S 785.3855 NA PeJP NA NA +PJ034788 GPLQWW C40H51N9O8 785.3861 NA PeJP NA NA +PJ034789 GSSSHRR C29H51N15O11 785.3893 NA PeJP NA NA +PJ034790 SLLMHW C37H55N9O8S 785.3895 NA PeJP NA NA +PJ034791 SSSSKKY C33H55N9O13 785.3919 NA PeJP NA NA +PJ034792 SSTLLEH C33H55N9O13 785.392 NA PeJP NA NA +PJ034793 AALLMMH C34H59N9O8S2 785.3928 NA PeJP NA NA +PJ034794 GPDRRW C34H51N13O9 785.3933 NA PeJP NA NA +PJ034795 PLLEEW C38H55N7O11 785.396 NA PeJP NA NA +PJ034796 GPPTCRR C31H55N13O9S 785.3967 NA PeJP NA NA +MJ094308 GNFFRF amide C39H51N11O7 785.397293 NA MeJP NA NA +PJ034797 AAPRWW C39H51N11O7 785.3973 NA PeJP NA NA +PJ034798 SPPLLEM C35H59N7O11S 785.3994 NA PeJP NA NA +PJ034799 PPCKRW C36H55N11O7S 785.4007 NA PeJP NA NA +PJ034800 PQKEER C32H55N11O12 785.4032 NA PeJP NA NA +PJ034801 VLMMHR C33H59N11O7S2 785.4041 NA PeJP NA NA +PJ034802 GNHFRR C33H51N15O8 785.4045 NA PeJP NA NA +PJ034803 GGGHFRR C33H51N15O8 785.4046 NA PeJP NA NA +PJ034804 PVQKEW C37H55N9O10 785.4072 NA PeJP NA NA +PJ034805 SCKHRR C30H55N15O8S 785.4079 NA PeJP NA NA +PJ034806 ATTLLMH C34H59N9O10S 785.4106 NA PeJP NA NA +PJ034807 PTKFFF C42H55N7O8 785.4112 NA PeJP NA NA +PJ034808 GGVLFFF C42H55N7O8 785.4113 NA PeJP NA NA +PJ034809 PTQERR C31H55N13O11 785.4144 NA PeJP NA NA +PJ034810 GGGGAALQR C31H55N13O11 785.4145 NA PeJP NA NA +PJ034811 VVKMFY C39H59N7O8S 785.4146 NA PeJP NA NA +PJ034812 SPVLLEE C35H59N7O13 785.4171 NA PeJP NA NA +PJ034813 PPVVLMM C36H63N7O8S2 785.418 NA PeJP NA NA +PJ034814 APKERW C36H55N11O9 785.4185 NA PeJP NA NA +MJ094309 Leucomycin A9; 3-Ac C39H63NO15 785.41977 NA MeJP NA NA +C14061 Leucomycin A8 C39H63NO15 785.4198 NA KEGG NA NA +PJ034815 GPPTKMR C33H59N11O9S 785.4218 NA PeJP NA NA +PJ034816 GPLKWW C41H55N9O7 785.4225 NA PeJP NA NA +PJ034817 SPDRRR C30H55N15O10 785.4257 NA PeJP NA NA +PJ034818 PPKKMW C38H59N9O7S 785.4259 NA PeJP NA NA +PJ034819 TTTTLLH C34H59N9O12 785.4283 NA PeJP NA NA +PJ034820 GPVKKEE C34H59N9O12 785.4284 NA PeJP NA NA +PJ034821 APTRRW C35H55N13O8 785.4297 NA PeJP NA NA +PJ034822 SLLKYY C39H59N7O10 785.4324 NA PeJP NA NA +PJ034823 PVQMRR C32H59N13O8S 785.4331 NA PeJP NA NA +MJ094310 Hygrolidin K2 C43H63NO12 785.435026 NA MeJP NA NA +PJ034824 PCILLLD C36H63N7O10S 785.4357 NA PeJP NA NA +PJ034825 APLLLEM C36H63N7O10S 785.4358 NA PeJP NA NA +PJ034826 GNQRRR C29H55N17O9 785.4369 NA PeJP NA NA +PJ034827 PKKEER C33H59N11O11 785.4396 NA PeJP NA NA +PJ034828 PVKKEW C38H59N9O9 785.4436 NA PeJP NA NA +PJ034829 APMRRR C31H59N15O7S 785.4443 NA PeJP NA NA +PJ034830 SPPVKKM C35H63N9O9S 785.447 NA PeJP NA NA +PJ034831 VVKFFF C43H59N7O7 785.4476 NA PeJP NA NA +PJ034832 PTKERR C32H59N13O10 785.4508 NA PeJP NA NA +PJ034833 GLLLLEE C36H63N7O12 785.4535 NA PeJP NA NA +PJ034834 SPLKRW C37H59N11O8 785.4548 NA PeJP NA NA +PJ034835 GAALLRW C37H59N11O8 785.4549 NA PeJP NA NA +MJ094311 Carbomycin B; 10,11-Dihydro, O-de-Ac C40H67NO14 785.456155 NA MeJP NA NA +MJ094312 Leucomycin A1 C40H67NO14 785.456155 NA MeJP NA NA +C14056 Leucomycin A1 C40H67NO14 785.4562 NA KEGG NA NA +MJ094313 Mycobactin; Mycobactin A C41H63N5O10 785.457493 NA MeJP NA NA +PJ034836 AAPLKMR C34H63N11O8S 785.4582 NA PeJP NA NA +PJ034837 GLERRR C31H59N15O9 785.4621 NA PeJP NA NA +PJ034838 APTLKKE C35H63N9O11 785.4647 NA PeJP NA NA +MJ094314 Dynastin 4; 3-L-Isoleucine analogue C35H63N9O11 785.464703 NA MeJP NA NA +PJ034839 AAAALLKE C35H63N9O11 785.4648 NA PeJP NA NA +PJ034840 GVLRRW C36H59N13O7 785.4661 NA PeJP NA NA +PJ034841 LLLLEW C40H63N7O9 785.4688 NA PeJP NA NA +PJ034842 PVKMRR C33H63N13O7S 785.4695 NA PeJP NA NA +PJ034843 SPLLLLM C37H67N7O9S 785.4721 NA PeJP NA NA +PJ034844 GNKRRR C30H59N17O8 785.4733 NA PeJP NA NA +PJ034845 LLQKER C34H63N11O10 785.476 NA PeJP NA NA +PJ034846 LRRRW C35H59N15O6 785.4773 NA PeJP NA NA +PJ034847 VLLQKW C39H63N9O8 785.48 NA PeJP NA NA +PJ034848 GPLLKKM C36H67N9O8S 785.4834 NA PeJP NA NA +PJ034849 VVKERR C33H63N13O9 785.4872 NA PeJP NA NA +PJ034850 SVLLLLE C37H67N7O11 785.4899 NA PeJP NA NA +PJ034851 ALLKRW C38H63N11O7 785.4912 NA PeJP NA NA +PJ034852 SVLRRR C32H63N15O8 785.4984 NA PeJP NA NA +PJ034853 GAAKKRR C32H63N15O8 785.4985 NA PeJP NA NA +HMDB09144 PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C45H72NO8P 785.499573 NA HMDB2010 NA NA +HMDB09177 PE(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C45H72NO8P 785.499573 NA HMDB2010 NA NA +HMDB09208 PE(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C45H72NO8P 785.499573 NA HMDB2010 NA NA +HMDB09209 PE(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C45H72NO8P 785.499573 NA HMDB2010 NA NA +HMDB09401 PE(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C45H72NO8P 785.499573 NA HMDB2010 NA NA +HMDB09434 PE(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C45H72NO8P 785.499573 NA HMDB2010 NA NA +HMDB09465 PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) C45H72NO8P 785.499573 NA HMDB2010 NA NA +HMDB09466 PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C45H72NO8P 785.499573 NA HMDB2010 NA NA +HMDB09624 PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C45H72NO8P 785.499573 NA HMDB2010 NA NA +HMDB09657 PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C45H72NO8P 785.499573 NA HMDB2010 NA NA +HMDB09688 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) C45H72NO8P 785.499573 NA HMDB2010 NA NA +HMDB09689 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C45H72NO8P 785.499573 NA HMDB2010 NA NA +PJ034854 GVLLKKE C36H67N9O10 785.5011 NA PeJP NA NA +PJ034855 APLLLLF C41H67N7O8 785.5051 NA PeJP NA NA +PJ034856 PVVVLLF C41H67N7O8 785.5052 NA PeJP NA NA +PJ034857 ALLLLLM C38H71N7O8S 785.5085 NA PeJP NA NA +PJ034858 LLKKER C35H67N11O9 785.5124 NA PeJP NA NA +PJ034859 VLLKKW C40H67N9O7 785.5164 NA PeJP NA NA +HMDB12360 PS(16:0/20:3(8Z,11Z,14Z)) C42H76NO10P 785.520691 NA HMDB2010 NA NA +HMDB12381 PS(18:0/18:3(9Z,12Z,15Z)) C42H76NO10P 785.520691 NA HMDB2010 NA NA +HMDB12391 PS(18:1(9Z)/18:2(9Z,12Z)) C42H76NO10P 785.520691 NA HMDB2010 NA NA +HMDB12401 PS(18:2(9Z,12Z)/18:1(9Z)) C42H76NO10P 785.520691 NA HMDB2010 NA NA +HMDB12411 PS(18:3(9Z,12Z,15Z)/18:0) C42H76NO10P 785.520691 NA HMDB2010 NA NA +HMDB12420 PS(20:3(8Z,11Z,14Z)/16:0) C42H76NO10P 785.520691 NA HMDB2010 NA NA +PJ034860 TLLKRR C34H67N13O8 785.5236 NA PeJP NA NA +PJ034861 TTLLLLL C38H71N7O10 785.5263 NA PeJP NA NA +PJ034862 AKKKRR C33H67N15O7 785.5348 NA PeJP NA NA +PJ034863 ATLLLKK C37H71N9O9 785.5375 NA PeJP NA NA +PJ034864 AALKKKK C36H71N11O8 785.5487 NA PeJP NA NA +PJ034865 VKKKKR C35H71N13O7 785.56 NA PeJP NA NA +HMDB00593 Dioleoylphosphatidylcholine C44H84NO8P 785.59344 http://www.hmdb.ca/metabolites/HMDB00593 HMDB NA NA +HMDB00593 Dioleoylphosphatidylcholine C44H84NO8P 785.59344 HMDB00593 PFEM_hmdb_metabocards_official NA NA +HMDB00593 PC(18:1(9Z)/18:1(9Z)) C44H84NO8P 785.593445 NA HMDB2010 NA NA +HMDB07888 PC(14:0/22:2(13Z,16Z)) C44H84NO8P 785.593445 NA HMDB2010 NA NA +HMDB07920 PC(14:1(9Z)/22:1(13Z)) C44H84NO8P 785.593445 NA HMDB2010 NA NA +HMDB07979 PC(16:0/20:2(11Z,14Z)) C44H84NO8P 785.593445 NA HMDB2010 NA NA +HMDB08011 PC(16:1(9Z)/20:1(11Z)) C44H84NO8P 785.593445 NA HMDB2010 NA NA +HMDB08039 PC(18:0/18:2(9Z,12Z)) C44H84NO8P 785.593445 NA HMDB2010 NA NA +HMDB08070 PC(18:1(11Z)/18:1(11Z)) C44H84NO8P 785.593445 NA HMDB2010 NA NA +HMDB08071 PC(18:1(11Z)/18:1(9Z)) C44H84NO8P 785.593445 NA HMDB2010 NA NA +HMDB08103 PC(18:1(9Z)/18:1(11Z)) C44H84NO8P 785.593445 NA HMDB2010 NA NA +HMDB08135 PC(18:2(9Z,12Z)/18:0) C44H84NO8P 785.593445 NA HMDB2010 NA NA +HMDB08299 PC(20:1(11Z)/16:1(9Z)) C44H84NO8P 785.593445 NA HMDB2010 NA NA +HMDB08331 PC(20:2(11Z,14Z)/16:0) C44H84NO8P 785.593445 NA HMDB2010 NA NA +HMDB08559 PC(22:1(13Z)/14:1(9Z)) C44H84NO8P 785.593445 NA HMDB2010 NA NA +HMDB08590 PC(22:2(13Z,16Z)/14:0) C44H84NO8P 785.593445 NA HMDB2010 NA NA +EUR964 PC 36:2 monoisotopic mass C44H84NO8P 785.593457 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR964 PC 36:2 monoisotopic mass C44H84NO8P 785.593457 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR964 PC 36:2 monoisotopic mass C44H84NO8P 785.593457 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR964 PC 36:2 monoisotopic mass C44H84NO8P 785.593457 masses lipides attendues Inhousejuil11 NA NA +HMDB09512 PE(22:0/P-18:1(11Z)) C45H88NO7P 785.629822 NA HMDB2010 NA NA +HMDB09513 PE(22:0/P-18:1(9Z)) C45H88NO7P 785.629822 NA HMDB2010 NA NA +HMDB09544 PE(22:1(13Z)/P-18:0) C45H88NO7P 785.629822 NA HMDB2010 NA NA +HMDB09774 PE(24:1(15Z)/P-16:0) C45H88NO7P 785.629822 NA HMDB2010 NA NA +HMDB11363 PE(P-16:0/24:1(15Z)) C45H88NO7P 785.629822 NA HMDB2010 NA NA +HMDB11389 PE(P-18:0/22:1(13Z)) C45H88NO7P 785.629822 NA HMDB2010 NA NA +HMDB11421 PE(P-18:1(11Z)/22:0) C45H88NO7P 785.629822 NA HMDB2010 NA NA +HMDB11454 PE(P-18:1(9Z)/22:0) C45H88NO7P 785.629822 NA HMDB2010 NA NA +HMDB11694 SM(d16:1/24:1(15Z)) C45H90N2O6P 785.653625 NA HMDB2010 NA NA +MJ094315 Isorawsonol C28H22Br4O7 785.809903 NA MeJP NA NA +6995 potential coeliac toxic peptide (extended motif) QGSFRPSQQNPQAQ 785.86395 MH2+ Inhouse_peptide NA peptide +C13932 Ruthenium red Ru3N14H42O2 785.8877 NA KEGG NA NA +C13933 Transferred to D02166 Ru3N14H42O2 785.8877 NA KEGG NA NA +C13934 Transferred to D02167 Ru3N14H42O2 785.8877 NA KEGG NA NA +C13935 Transferred to D02168 Ru3N14H42O2 785.8877 NA KEGG NA NA +C13936 Transferred to D02169 Ru3N14H42O2 785.8877 NA KEGG NA NA +MJ094316 2,3-Hexahydroxydiphenoylglucose; (S)axial-?-D-Pyranose-form, 1,6-Bis-O-(3,4,5-trihydroxybenzoyl) C34H26O22 786.091572 NA MeJP NA NA +MJ094317 2,3-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form, 4,6-Bis(3,4,5-trihydroxybenzoyl) C34H26O22 786.091572 NA MeJP NA NA +MJ094318 2,3-Hexahydroxydiphenoylglucose; (S)axial-?-D-Pyranose-form, 1,6-Bis(3,4,5-trihydroxybenzoyl) C34H26O22 786.091572 NA MeJP NA NA +MJ094319 3,6-Hexahydroxydiphenoylglucose; (R)axial-?-D-pyranose-form, 1,2-Bis-(3,4,5-trihydroxybenzoyl) C34H26O22 786.091572 NA MeJP NA NA +MJ094320 3,6-Hexahydroxydiphenoylglucose; (R)axial-?-D-pyranose-form, 1,4-Bis-(3,4,5-trihydroxybenzoyl) C34H26O22 786.091572 NA MeJP NA NA +MJ094321 3,6-Hexahydroxydiphenoylglucose; (R)axial-?-D-pyranose-form, 1-O-[Dihydroxy-(3,4,5-trihydroxybenzoyloxy)benzoyl] C34H26O22 786.091572 NA MeJP NA NA +MJ094322 3,6-Hexahydroxydiphenoylglucose; (R)axial-?-D-pyranose-form, 1,2-Bis-(3,4,5-trihydroxybenzoyl) C34H26O22 786.091572 NA MeJP NA NA +MJ094323 3,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1,2-Bis-(3,4,5-trihydroxybenzoyl) C34H26O22 786.091572 NA MeJP NA NA +MJ094324 4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1,3-Bis-(3,4,5-trihydroxybenzoyl) C34H26O22 786.091572 NA MeJP NA NA +MJ094325 4,6-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form, 2,3-Bis-(3,4,5-trihydroxybenzoyl) C34H26O22 786.091572 NA MeJP NA NA +MJ094326 4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-Pyranose-form, 1,3-Bis-(3,4,5-trihydroxybenzoyl) C34H26O22 786.091572 NA MeJP NA NA +C10241 Tellimagrandin I C34H26O22 786.0916 NA KEGG NA NA +MJ094327 3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 2'',3'',6''-Tris-O-(3,4,5-trihydroxybenzoyl) C35H30O21 786.127958 NA MeJP NA NA +PJ034866 CCCNDDD C25H38N8O15S3 786.1619 NA PeJP NA NA +PJ034867 GSPCCCCD C26H42N8O12S4 786.1805 NA PeJP NA NA +FL5FAAGL0037 Kaempferol 3-sophoroside-7-glucuronide;3-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid C33H38O22 786.18547 140163-56-0 knapsack NA NA +FL5FAAGL0041 Kaempferol 3-gentiobioside-7-glucuronide C33H38O22 786.18547 134981-91-2 knapsack NA NA +FL5FACGL0043 Quercetin 3-rutinoside-7-glucuronide C33H38O22 786.18547 135093-72-0 knapsack NA NA +FL5FACGS0045 Quercetin 3-glucuronide-7-rutinoside C33H38O22 786.18547 162321-61-1 knapsack NA NA +MJ094328 Astragalin; 2''-O-?-D-Glucopyranosyl, 7-O-?-D-glucuronopyranoside C33H38O22 786.185472 NA MeJP NA NA +MJ094329 Astragalin; 6''-O-?-D-Glucopyranosyl, 7-O-?-D-glucuronopyranoside C33H38O22 786.185472 NA MeJP NA NA +MJ094330 Rutin; 7-O-?-D-Glucuronopyranoside C33H38O22 786.185472 NA MeJP NA NA +PJ034868 CCCCNNQ C25H42N10O11S4 786.1918 NA PeJP NA NA +PJ034869 SCCNDDM C26H42N8O14S3 786.1983 NA PeJP NA NA +PJ034870 PCCCCQM C27H46N8O9S5 786.1992 NA PeJP NA NA +FL3FACDS0018 Isoorientin 4'-O-glucoside 2''-O-(E)-ferulate C37H38O19 786.20072 60077-50-1 knapsack NA NA +FL3FACDS0026 Isoorientin 7-O-(6'''-O-(E)-feruloyl)glucoside C37H38O19 786.20072 496788-50-2 knapsack NA NA +FL5FAAGL0081 Petunoside C37H38O19 786.20072 - knapsack NA NA +FL5FAAGS0114 Kaempferol 3-(2''-(E)-feruloylgalactosyl-(1->4)-glucoside);5,7-Dihydroxy-3-[[4-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C37H38O19 786.20072 352284-18-5 knapsack NA NA +FL5FAAGS0117 Kaempferol 3-(6''-(E)-feruloylglucosyl)-(1->2)-galactoside;5,7-Dihydroxy-3-[[2-O-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-galactopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C37H38O19 786.20072 284677-05-0 knapsack NA NA +FL5FADGL0040 Isorhamnetin 3-O-beta-(6''-O-E-p-coumaroylglucoside)-7-O-beta-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C37H38O19 786.20072 473919-26-5 knapsack NA NA +MJ094331 3,4',5,7-Tetrahydroxyflavone; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(1??)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C37H38O19 786.200729 NA MeJP NA NA +MJ094332 Isoorientin; 2''-O-(4-Hydroxy-3-methoxycinnamoyl), 4'-O-?-D-glucopyranoside C37H38O19 786.200729 NA MeJP NA NA +MJ094333 Isoorientin; 2''-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl] C37H38O19 786.200729 NA MeJP NA NA +MJ094334 Populnin; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(??)-?-D-glucopyranoside] C37H38O19 786.200729 NA MeJP NA NA +MJ094335 Trifolin; 2''-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl] C37H38O19 786.200729 NA MeJP NA NA +MJ094336 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C37H39O19(+) 786.200729 NA MeJP NA NA +MJ094337 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[4-Hydroxy-3-methoxycinnamoyl-(??)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C37H39O19(+) 786.200729 NA MeJP NA NA +MJ094338 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[3,4-Dihydroxycinnamoyl-(??)-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside]] C37H39O19(+) 786.200729 NA MeJP NA NA +MJ094339 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[3,4-Dihydroxycinnamoyl-(??)-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside]] C37H39O19(+) 786.200729 NA MeJP NA NA +PJ034871 GSSCCCNN C25H42N10O13S3 786.2095 NA PeJP NA NA +PJ034872 PCCCCCR C26H46N10O8S5 786.2104 NA PeJP NA NA +PJ034873 GSCCCEW C30H42N8O11S3 786.2135 NA PeJP NA NA +PJ034874 GSSSCCDE C26H42N8O16S2 786.2161 NA PeJP NA NA +PJ034875 GCCNEMM C27H46N8O11S4 786.2169 NA PeJP NA NA +FL3FADGS0017 Luteolin 3'-methyl ether 7-sophorotrioside C34H42O21 786.22185 63069-54-5 knapsack NA NA +FL3FCCDS0003 Swertiajaponin 3'-O-gentiobioside C34H42O21 786.22185 76166-51-3 knapsack NA NA +FL5FADGA0012 Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside;Isorhamnetin 3-(4Rha-galactosylrobinobioside);3-[(O-beta-D-galactopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C34H42O21 786.22185 168136-44-5 knapsack NA NA +FL5FADGA0013 Isorhamnetin 3-glucosyl-(1->2)-[rhamnosyl-(1->6)-galactoside] C34H42O21 786.22185 123563-73-5 knapsack NA NA +FL5FADGA0017 Isorhamnetin 3-rhamnosyl-(1->2)-galactoside-7-glucoside C34H42O21 786.22185 128988-18-1 knapsack NA NA +FL5FADGL0021 Isorhamnetin 3-(2G-galactosylrutinoside);Isorhamnetin 3-galactosyl-(1->2)-[rhamnosyl-(1->6)-glucoside];Quercetin 3'-methyl ether 3-galactosyl-(1->2)-[rhamnosyl-(1->6)-glucoside];Calotropiside;3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-galactopyranosyl-(1->2)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C34H42O21 786.22185 144606-94-0 knapsack NA NA +FL5FADGL0025 Isorhamnetin 3-sophoroside-7-rhamnoside C34H42O21 786.22185 41328-75-0 knapsack NA NA +FL5FADGL0027 Isorhamnetin 3-rutinoside-7-glucoside C34H42O21 786.22185 55481-91-9 knapsack NA NA +FL5FADGL0029 Isorhamnetin 3-rutinoside-4'-glucoside C34H42O21 786.22185 111393-97-6 knapsack NA NA +FL5FADGS0018 Isorhamnetin 3-rhamnoside-7-sophoroside C34H42O21 786.22185 123131-40-8 knapsack NA NA +FL5FADGS0024 Isorhamnetin 3-rhamnosyl-(1->2)-[glucosyl-(1->6)-glucoside];Quercetin 3'-methyl ether 3-rhamnosyl-(1->2)-[glucosyl-(1->6)-glucoside];3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C34H42O21 786.22185 188825-72-1 knapsack NA NA +FL5FFAGL0010 Sexangularetin 3-rutinoside-7-glucoside C34H42O21 786.22185 106009-65-8 knapsack NA NA +FL5FFAGL0011 Sexangularetin 3-glucoside-7-rutinoside C34H42O21 786.22185 95262-51-4 knapsack NA NA +MJ094340 3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-(Rhamnosylrutinoside) C34H42O21 786.221858 NA MeJP NA NA +MJ094341 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C34H42O21 786.221858 NA MeJP NA NA +MJ094342 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-galactopyranoside] C34H42O21 786.221858 NA MeJP NA NA +MJ094343 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucofuranoside], 7-O-?-L-rhamnofuranoside C34H42O21 786.221858 NA MeJP NA NA +MJ094344 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside], 7-O-?-D-glucopyranoside C34H42O21 786.221858 NA MeJP NA NA +MJ094345 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 3-O-?-L-rhamnopyranoside C34H42O21 786.221858 NA MeJP NA NA +MJ094346 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; Glycoside (1) C34H42O21 786.221858 NA MeJP NA NA +MJ094347 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; Glycoside (2) C34H42O21 786.221858 NA MeJP NA NA +MJ094348 3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-?-D-Glucopyranoside, 7-O-rutinoside C34H42O21 786.221858 NA MeJP NA NA +MJ094349 3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-Rutinoside, 7-O-?-D-glucopyranoside C34H42O21 786.221858 NA MeJP NA NA +MJ094350 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Galactopyranosyl, 6''-O-?-L-rhamnopyranosyl C34H42O21 786.221858 NA MeJP NA NA +MJ094351 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Glucopyranosyl, 6''-O-?-L-rhamnopyranosyl C34H42O21 786.221858 NA MeJP NA NA +MJ094352 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Glucopyranosyl, 7-O-?-L-rhamnopyranoside C34H42O21 786.221858 NA MeJP NA NA +MJ094353 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-L-Rhamnopyranosyl, 6''-O-?-D-glucopyranosyl C34H42O21 786.221858 NA MeJP NA NA +MJ094354 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 4'-O-?-D-Glucopyranoside, 6''-O-?-L-rhamnopyranosyl C34H42O21 786.221858 NA MeJP NA NA +MJ094355 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-L-Rhamnopyranosyl, 7-O-?-D-glucopyranoside C34H42O21 786.221858 NA MeJP NA NA +MJ094356 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; ?''-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranosyl] C34H42O21 786.221858 NA MeJP NA NA +MJ094357 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C34H42O21 786.221858 NA MeJP NA NA +MJ094358 Swertiajaponin; 3'-O-Gentiobioside C34H42O21 786.221858 NA MeJP NA NA +MJ094359 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C34H43O21(+) 786.221858 NA MeJP NA NA +MJ094360 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[Arabinosyl-(1??)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C34H43O21(+) 786.221858 NA MeJP NA NA +MJ094361 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C34H43O21(+) 786.221858 NA MeJP NA NA +MJ094362 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranosyl-(1??)-?-D-glucopyranoside] C34H43O21(+) 786.221858 NA MeJP NA NA +PJ034876 GCCCDMR C26H46N10O10S4 786.2282 NA PeJP NA NA +PJ034877 SCCCWW C34H42N8O8S3 786.2288 NA PeJP NA NA +MJ094363 4',7-Dihydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan C45H38O13 786.231241 NA MeJP NA NA +PJ034878 SSSCCDW C30H42N8O13S2 786.2313 NA PeJP NA NA +PJ034879 CCNMMW C31H46N8O8S4 786.2322 NA PeJP NA NA +PJ034880 SSSSSCDD C26H42N8O18S 786.2338 NA PeJP NA NA +PJ034881 SSCNDMM C27H46N8O13S3 786.2347 NA PeJP NA NA +PJ034882 PCCCCKM C28H50N8O8S5 786.2356 NA PeJP NA NA +PJ034883 GCCCQHH C28H42N12O9S3 786.236 NA PeJP NA NA +MJ094364 Antibiotic D 329C C38H42O18 786.237114 NA MeJP NA NA +MJ094365 Interjectin C38H42O18 786.237114 NA MeJP NA NA +PJ034884 DDDEMY C31H42N6O16S 786.2378 NA PeJP NA NA +HMDB00728 Hydroxypropionic porphyrin III C39H38N4O14 786.23846 http://www.hmdb.ca/metabolites/HMDB00728 HMDB NA NA +HMDB00737 Heptacarboxylporphyrin I C39H38N4O14 786.23846 http://www.hmdb.ca/metabolites/HMDB00737 HMDB NA NA +HMDB00815 Pseudouroporphyrin C39H38N4O14 786.23846 http://www.hmdb.ca/metabolites/HMDB00815 HMDB NA NA +HMDB00728 Hydroxypropionic porphyrin III C39H38N4O14 786.23846 HMDB00728 PFEM_hmdb_metabocards_official NA NA +HMDB00737 Heptacarboxylporphyrin I C39H38N4O14 786.23846 HMDB00737 PFEM_hmdb_metabocards_official NA NA +HMDB00815 Pseudouroporphyrin C39H38N4O14 786.23846 HMDB00815 PFEM_hmdb_metabocards_official NA NA +HMDB00728 Hydroxypropionic porphyrin III C39H38N4O14 786.238464 NA HMDB2010 NA NA +HMDB00737 Heptacarboxylporphyrin I C39H38N4O14 786.238464 NA HMDB2010 NA NA +HMDB00815 Pseudouroporphyrin C39H38N4O14 786.238464 NA HMDB2010 NA NA +PJ034885 GNDDDDH C28H38N10O17 786.2417 NA PeJP NA NA +PJ034886 DEMMMM C29H50N6O11S4 786.2421 NA PeJP NA NA +PJ034887 GCCNNNY C29H42N10O12S2 786.2425 NA PeJP NA NA +PJ034888 GGGGGCCNY C29H42N10O12S2 786.2426 NA PeJP NA NA +PJ034889 SSCCCER C26H46N10O12S3 786.2459 NA PeJP NA NA +PJ034890 CCNDFW C34H42N8O10S2 786.2466 NA PeJP NA NA +MetaCyc04137 5,10-methenyltetrahydromethanopterin [methenyl-H4MPT;N5,N10-methenyltetrahydromethanopterin;5,10-methenyl-H4MPT;N5,N10-methenyl-5,6,7,8-tetrahydromethanopterin;5,10-methenyl-5,6,7,8-tetrahydromethanopterin;5,10-methenyl-tetrahydromethanopterin;] C31H43N6O16P1 786.247316 NA metacyc NA NA +PJ034891 GSCNDEY C30H42N8O15S 786.2491 NA PeJP NA NA +PJ034892 GSTCCMW C31H46N8O10S3 786.2499 NA PeJP NA NA +MJ094366 Paulomycin A C34H46N2O17S 786.251718 NA MeJP NA NA +PJ034893 GSSSSCEM C27H46N8O15S2 786.2524 NA PeJP NA NA +MJ094367 Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 3,17-Bis[4-[bis(2-chloroethyl)amino]phenylacetyl] C42H50Cl4N2O4 786.252468 NA MeJP NA NA +PJ034894 GSCQMMM C28H50N8O10S4 786.2533 NA PeJP NA NA +PJ034895 SSCCNHH C28H42N12O11S2 786.2538 NA PeJP NA NA +PJ034896 DDEMMF C32H46N6O13S2 786.2565 NA PeJP NA NA +C10450 Echinacoside C35H46O20 786.2582 NA KEGG NA NA +C10488 Purpureaside C C35H46O20 786.2582 NA KEGG NA NA +C17679 Magnoloside B C35H46O20 786.2582 NA KEGG NA NA +MJ094368 1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 2-O-[?-L-Rhamnopyranosyl-(1?3)-[?-D-apiofuranosyl-(1?6)]-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C35H46O20 786.258243 NA MeJP NA NA +MJ094369 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Galactopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C35H46O20 786.258243 NA MeJP NA NA +MJ094370 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Galactopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-Z-cinnamoyl-(?4)]-?-D-glucopyranoside] C35H46O20 786.258243 NA MeJP NA NA +MJ094371 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C35H46O20 786.258243 NA MeJP NA NA +MJ094372 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C35H46O20 786.258243 NA MeJP NA NA +MJ094373 Magnoloside A; 6-O-?-D-Glucopyranosyl C35H46O20 786.258243 NA MeJP NA NA +MJ094374 Neoacteoside C35H46O20 786.258243 NA MeJP NA NA +MJ094375 Purpureaside B C35H46O20 786.258243 NA MeJP NA NA +MJ094376 Purpureaside C C35H46O20 786.258243 NA MeJP NA NA +MJ094377 Stachyoside C35H46O20 786.258243 NA MeJP NA NA +PJ034897 SPCNDDH C29H42N10O14S 786.2603 NA PeJP NA NA +PJ034898 CEMMHH C30H46N10O9S3 786.2612 NA PeJP NA NA +PJ034899 SCNDYW C34H42N8O12S 786.2643 NA PeJP NA NA +PJ034900 GSCCMMR C27H50N10O9S4 786.2645 NA PeJP NA NA +PJ034901 CCMHFF C35H46N8O7S3 786.2652 NA PeJP NA NA +PJ034902 SSSNDDY C30H42N8O17 786.2668 NA PeJP NA NA +PJ034903 SSSSCMW C31H46N8O12S2 786.2677 NA PeJP NA NA +PJ034904 SSSSSSDM C27H46N8O17S 786.2702 NA PeJP NA NA +PJ034905 PDDDYY C35H42N6O15 786.2708 NA PeJP NA NA +PJ034906 SSSNMMM C28H50N8O12S3 786.271 NA PeJP NA NA +PJ034907 GGSSSMMM C28H50N8O12S3 786.2711 NA PeJP NA NA +PJ034908 GCNNNEH C28H42N12O13S 786.2715 NA PeJP NA NA +PJ034909 GGGGGGGCEH C28H42N12O13S 786.2716 NA PeJP NA NA +PJ034910 GCCCKHH C29H46N12O8S3 786.2724 NA PeJP NA NA +PJ034911 SEEEMY C32H46N6O15S 786.2742 NA PeJP NA NA +PJ034912 PDMMMY C33H50N6O10S3 786.2751 NA PeJP NA NA +PJ034913 CDEHHF C33H42N10O11S 786.2756 NA PeJP NA NA +PJ034914 GSNDEEH C29H42N10O16 786.2781 NA PeJP NA NA +PJ034915 CCNERY C30H46N10O11S2 786.2789 NA PeJP NA NA +PJ034916 NNDDFY C34H42N8O14 786.2821 NA PeJP NA NA +PJ034917 SSTCCMR C27H50N10O11S3 786.2823 NA PeJP NA NA +PJ034918 GCQMYW C35H46N8O9S2 786.2829 NA PeJP NA NA +PJ034919 GGACMYW C35H46N8O9S2 786.283 NA PeJP NA NA +PJ034920 GSSNEMY C31H46N8O14S 786.2854 NA PeJP NA NA +PJ034921 GGGSSEMY C31H46N8O14S 786.2855 NA PeJP NA NA +PJ034922 APCCCKY C32H50N8O9S3 786.2863 NA PeJP NA NA +PJ034923 CNNNHW C32H42N12O10S 786.2868 NA PeJP NA NA +PJ034924 GSSSSTMM C28H50N8O14S2 786.2888 NA PeJP NA NA +PJ034925 SSNNNDH C28H42N12O15 786.2893 NA PeJP NA NA +PJ034926 PDDMFY C36H46N6O12S 786.2895 NA PeJP NA NA +PJ034927 GSCKMMM C29H54N8O9S4 786.2897 NA PeJP NA NA +PJ034928 GPCCDHR C29H46N12O10S2 786.2902 NA PeJP NA NA +PJ034929 VDEMMY C33H50N6O12S2 786.2928 NA PeJP NA NA +PJ034930 SNDEHW C33H42N10O13 786.2933 NA PeJP NA NA +PJ034931 PMMMMF C34H54N6O7S4 786.2937 NA PeJP NA NA +PJ034932 GCCRYW C34H46N10O8S2 786.2942 NA PeJP NA NA +PJ034933 GSSCDRY C30H46N10O13S 786.2967 NA PeJP NA NA +PJ034934 LMMMMM C31H58N6O7S5 786.2971 NA PeJP NA NA +PJ034935 CCQMFR C31H50N10O8S3 786.2976 NA PeJP NA NA +PJ034936 SSNMYW C35H46N8O11S 786.3007 NA PeJP NA NA +PJ034937 SSSSQEY C31H46N8O16 786.3032 NA PeJP NA NA +PJ034938 SQQMMY C32H50N8O11S2 786.3041 NA PeJP NA NA +PJ034939 SSSSSTTM C28H50N8O16S 786.3066 NA PeJP NA NA +PJ034940 SPEEYY C36H46N6O14 786.3072 NA PeJP NA NA +PJ034941 SSTCKMM C29H54N8O11S3 786.3074 NA PeJP NA NA +PJ034942 NDDMHR C29H46N12O12S 786.3079 NA PeJP NA NA +PJ034943 PDMMFF C37H50N6O9S2 786.3081 NA PeJP NA NA +PJ034944 GSDHWW C37H42N10O10 786.3086 NA PeJP NA NA +PJ034945 CCCFRR C30H50N12O7S3 786.3088 NA PeJP NA NA +MJ094378 Antibiotic MA 144 U7 C40H50O16 786.309885 NA MeJP NA NA +MJ094379 Ciclamycin O; 3''-Deoxy, 4'''?-alcohol C40H50O16 786.309885 NA MeJP NA NA +MJ094380 Correolide; 11,12-Didehydro C40H50O16 786.309885 NA MeJP NA NA +PJ034946 VEMMMF C34H54N6O9S3 786.3115 NA PeJP NA NA +PJ034947 GQEMHW C34H46N10O10S 786.3119 NA PeJP NA NA +PJ034948 GGAEMHW C34H46N10O10S 786.312 NA PeJP NA NA +PJ034949 GSTQEEH C30H46N10O15 786.3144 NA PeJP NA NA +PJ034950 GGGTTEEH C30H46N10O15 786.3145 NA PeJP NA NA +PJ034951 SCQMRY C31H50N10O10S2 786.3153 NA PeJP NA NA +PJ034952 NNEHHH C31H42N14O11 786.3158 NA PeJP NA NA +PJ034953 GCQFFW C39H46N8O8S 786.316 NA PeJP NA NA +PJ034954 ASSSSYW C35H46N8O13 786.3184 NA PeJP NA NA +PJ034955 GSSSTYW C35H46N8O13 786.3185 NA PeJP NA NA +PJ034956 GSCNNHR C28H46N14O11S 786.3192 NA PeJP NA NA +PJ034957 GCKMYW C36H50N8O8S2 786.3193 NA PeJP NA NA +PJ034958 GSSDKMY C32H50N8O13S 786.3218 NA PeJP NA NA +PJ034959 GGAPPEEM C32H50N8O13S 786.3219 NA PeJP NA NA +PJ034960 PDDFFF C40H46N6O11 786.3225 NA PeJP NA NA +PJ034961 CQKMMF C33H54N8O8S3 786.3227 NA PeJP NA NA +PJ034962 GCEHRW C33H46N12O9S 786.3232 NA PeJP NA NA +MJ094381 Antibiotic AS 186C; 1''-Hydroxy, 2'',3''-dihydro, 2'-Me ether C44H50O13 786.325141 NA MeJP NA NA +PJ034963 GSSDEHR C29H46N12O14 786.3257 NA PeJP NA NA +PJ034964 PCLEYY C37H50N6O11S 786.3258 NA PeJP NA NA +PJ034965 PVDMYY C37H50N6O11S 786.3259 NA PeJP NA NA +PJ034966 SCCRRY C30H50N12O9S2 786.3265 NA PeJP NA NA +PJ034967 GSPCMHR C30H50N12O9S2 786.3266 NA PeJP NA NA +PJ034968 QMHWW C38H46N10O7S 786.3272 NA PeJP NA NA +PJ034969 TLEMMY C34H54N6O11S2 786.3292 NA PeJP NA NA +PJ034970 STQEHW C34H46N10O12 786.3297 NA PeJP NA NA +PJ034971 CLMHHF C35H50N10O7S2 786.3306 NA PeJP NA NA +PJ034972 GNHHHW C35H42N14O8 786.331 NA PeJP NA NA +PJ034973 GGGHHHW C35H42N14O8 786.3311 NA PeJP NA NA +MJ094382 Cephabacin H; Cephabacin H4, 28-Deoxy, N27-(L-alanyl-L-alanyl) C31H50N10O12S 786.333037 NA MeJP NA NA +PJ034974 GSSSMRY C31H50N10O12S 786.3331 NA PeJP NA NA +PJ034975 SPPDWW C39H46N8O10 786.3337 NA PeJP NA NA +PJ034976 CCKMFR C32H54N10O7S3 786.3339 NA PeJP NA NA +PJ034977 STCKYW C36H50N8O10S 786.3371 NA PeJP NA NA +PJ034978 CHRWW C37H46N12O6S 786.3384 NA PeJP NA NA +PJ034979 SSSSKEY C32H50N8O15 786.3396 NA PeJP NA NA +PJ034980 SQKMMY C33H54N8O10S2 786.3404 NA PeJP NA NA +PJ034981 TNKMMY C33H54N8O10S2 786.3405 NA PeJP NA NA +PJ034982 SSDHRW C33H46N12O11 786.3409 NA PeJP NA NA +PJ034983 GGGGGAQHF C33H46N12O11 786.341 NA PeJP NA NA +PJ034984 ALEEYY C37H50N6O13 786.3436 NA PeJP NA NA +PJ034985 SQEMHR C30H50N12O11S 786.3443 NA PeJP NA NA +PJ034986 PVMMFY C38H54N6O8S2 786.3445 NA PeJP NA NA +PJ034987 ASTHWW C38H46N10O9 786.3449 NA PeJP NA NA +PJ034988 GTTHWW C38H46N10O9 786.345 NA PeJP NA NA +PJ034989 VLMMMY C35H58N6O8S3 786.3478 NA PeJP NA NA +PJ034990 PPCERW C35H50N10O9S 786.3483 NA PeJP NA NA +MJ094383 Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-4-O-sulfo-?-L-arabinopyranoside] C38H58O15S 786.349641 NA MeJP NA NA +PJ034991 SSSSTRY C31H50N10O14 786.3508 NA PeJP NA NA +PJ034992 GGGGGPKEE C31H50N10O14 786.3509 NA PeJP NA NA +PJ034993 SCKMRY C32H54N10O9S2 786.3517 NA PeJP NA NA +PJ034994 NDKHHH C32H46N14O10 786.3522 NA PeJP NA NA +PJ034995 APPMWW C40H50N8O7S 786.3523 NA PeJP NA NA +PJ034996 PPVCWW C40H50N8O7S 786.3524 NA PeJP NA NA +PJ034997 PVQEEW C36H50N8O12 786.3548 NA PeJP NA NA +PJ034998 GGPLEEW C36H50N8O12 786.3549 NA PeJP NA NA +PJ034999 SCEHRR C29H50N14O10S 786.3555 NA PeJP NA NA +PJ035000 PPNHHW C37H46N12O8 786.3562 NA PeJP NA NA +PJ035001 GSTTKMY C33H54N8O12S 786.3582 NA PeJP NA NA +MJ094384 Bouvardin; 6-Me ether C41H50N6O10 786.358841 NA MeJP NA NA +MJ094385 RA-V; 22-Hydroxy, Me ether C41H50N6O10 786.358841 NA MeJP NA NA +PJ035002 PPTFYY C41H50N6O10 786.3589 NA PeJP NA NA +PJ035003 CKKMMF C34H58N8O7S3 786.3591 NA PeJP NA NA +PJ035004 GTMHRW C34H50N12O8S 786.3596 NA PeJP NA NA +PJ035005 SSTNNKH C30H50N12O13 786.362 NA PeJP NA NA +PJ035006 PDDERR C30H50N12O13 786.3621 NA PeJP NA NA +PJ035007 PTLMYY C38H54N6O10S 786.3622 NA PeJP NA NA +PJ035008 VNMMHR C31H54N12O8S2 786.3629 NA PeJP NA NA +PJ035009 SNHHHR C31H46N16O9 786.3634 NA PeJP NA NA +PJ035010 KMHWW C39H50N10O6S 786.3636 NA PeJP NA NA +PJ035011 APEERW C35H50N10O11 786.3661 NA PeJP NA NA +PJ035012 SSPTKMH C32H54N10O11S 786.3694 NA PeJP NA NA +PJ035013 GPPTEMR C32H54N10O11S 786.3695 NA PeJP NA NA +MJ094386 Kasumigamide C40H50N8O9 786.370075 NA MeJP NA NA +PJ035014 GPLEWW C40H50N8O9 786.3701 NA PeJP NA NA +PJ035015 NNQQQR C29H50N14O12 786.3733 NA PeJP NA NA +PJ035016 PPKEMW C37H54N8O9S 786.3735 NA PeJP NA NA +PJ035017 GMMHRR C30H54N14O7S2 786.3742 NA PeJP NA NA +PJ035018 SSTTTKY C33H54N8O14 786.376 NA PeJP NA NA +PJ035019 SKKMMY C34H58N8O9S2 786.3768 NA PeJP NA NA +PJ035020 PPVVNMM C34H58N8O9S2 786.3769 NA PeJP NA NA +PJ035021 STTHRW C34H50N12O10 786.3773 NA PeJP NA NA +PJ035022 PVMFFF C42H54N6O7S 786.3775 NA PeJP NA NA +MJ094387 Casoxin 6 C36H52N9O11 786.378628 NA MeJP NA NA +PJ035023 SLLEYY C38H54N6O12 786.38 NA PeJP NA NA +PJ035024 SKEMHR C31H54N12O10S 786.3807 NA PeJP NA NA +PJ035025 VLMMFF C39H58N6O7S2 786.3809 NA PeJP NA NA +PJ035026 GPNKWW C39H50N10O8 786.3813 NA PeJP NA NA +PJ035027 GGALHFW C39H50N10O8 786.3814 NA PeJP NA NA +PJ035028 NNNNRR C28H50N16O11 786.3845 NA PeJP NA NA +PJ035029 GGGGGGNRR C28H50N16O11 786.3846 NA PeJP NA NA +PJ035030 PPTMRW C36H54N10O8S 786.3847 NA PeJP NA NA +PJ035031 PLWWW C44H50N8O6 786.3854 NA PeJP NA NA +PJ035032 PKEEER C32H54N10O13 786.3872 NA PeJP NA NA +PJ035033 GPPVMMR C33H58N10O8S2 786.3881 NA PeJP NA NA +PJ035034 GDHFRR C33H50N14O9 786.3886 NA PeJP NA NA +PJ035035 PVKEEW C37H54N8O11 786.3912 NA PeJP NA NA +PJ035036 GAAPPLDF C37H54N8O11 786.3913 NA PeJP NA NA +PJ035037 STMHRR C30H54N14O9S 786.3919 NA PeJP NA NA +PJ035038 AAHFRW C38H50N12O7 786.3926 NA PeJP NA NA +PJ035039 SPPVKEM C34H58N8O11S 786.3946 NA PeJP NA NA +PJ035040 PVVFYY C42H54N6O9 786.3953 NA PeJP NA NA +PJ035041 PCKHFR C35H54N12O7S 786.396 NA PeJP NA NA +PJ035042 SSSTLHR C31H54N12O12 786.3984 NA PeJP NA NA +PJ035043 PTEERR C31H54N12O12 786.3985 NA PeJP NA NA +PJ035044 VVLMYY C39H58N6O9S 786.3986 NA PeJP NA NA +PJ035045 PPMMRR C32H58N12O7S2 786.3993 NA PeJP NA NA +3186 derivative of L-enkephalin GGFLTRH 786.4 celiac toxic Inhouse_peptide NA peptide +PJ035046 SPLERW C36H54N10O10 786.4025 NA PeJP NA NA +PJ035047 AAPLEMR C33H58N10O10S 786.4058 NA PeJP NA NA +PJ035048 GPVVEMR C33H58N10O10S 786.4059 NA PeJP NA NA +PJ035049 SPVLWW C41H54N8O8 786.4065 NA PeJP NA NA +PJ035050 AQQERR C30H54N14O11 786.4097 NA PeJP NA NA +PJ035051 PLLQMW C38H58N8O8S 786.4099 NA PeJP NA NA +PJ035052 APTLKEE C34H58N8O13 786.4124 NA PeJP NA NA +PJ035053 APPLKMM C35H62N8O8S2 786.4132 NA PeJP NA NA +PJ035054 SPNKRW C35H54N12O9 786.4137 NA PeJP NA NA +PJ035055 PVEMRR C32H58N12O9S 786.4171 NA PeJP NA NA +PJ035056 GLKHFW C40H54N10O7 786.4177 NA PeJP NA NA +MJ094388 12-Oleanene-3,16,21,22,23,28-hexol, 21-O-Benzoyl, 3-O-?-D-glucuronopyranoside C43H62O13 786.419042 NA MeJP NA NA +MJ094389 12-Oleanene-3,16,21,22,23,28-hexol, 28-O-Benzoyl, 3-O-?-D-glucuronopyranoside C43H62O13 786.419042 NA MeJP NA NA +PJ035057 GNERRR C29H54N16O10 786.4209 NA PeJP NA NA +PJ035058 PVVMRW C37H58N10O7S 786.4211 NA PeJP NA NA +PJ035059 LLQEER C33H58N10O12 786.4236 NA PeJP NA NA +PJ035060 LKKMMH C34H62N10O7S2 786.4245 NA PeJP NA NA +PJ035061 AAQRRW C34H54N14O8 786.4249 NA PeJP NA NA +PJ035062 GGGVRRW C34H54N14O8 786.425 NA PeJP NA NA +PJ035063 VLLQEW C38H58N8O10 786.4276 NA PeJP NA NA +PJ035064 PCQKRR C31H58N14O8S 786.4283 NA PeJP NA NA +PJ035065 GPLLKEM C35H62N8O10S 786.431 NA PeJP NA NA +PJ035066 VVLFFY C43H58N6O8 786.4316 NA PeJP NA NA +PJ035067 VVEERR C32H58N12O11 786.4348 NA PeJP NA NA +PJ035068 AAAAAKER C32H58N12O11 786.4349 NA PeJP NA NA +PJ035069 NRRRW C33H54N16O7 786.4362 NA PeJP NA NA +PJ035070 ALLERW C37H58N10O9 786.4389 NA PeJP NA NA +MJ094390 Furost-5-ene-1,3,22,26-tetrol, 22-Me ether, 1,26-di-O-?-D-glucopyranoside C40H66O15 786.440171 NA MeJP NA NA +PJ035071 GPTLLMR C34H62N10O9S 786.4422 NA PeJP NA NA +PJ035072 GLLLWW C42H58N8O7 786.4429 NA PeJP NA NA +PJ035073 AQKERR C31H58N14O10 786.4461 NA PeJP NA NA +PJ035074 PLLKMW C39H62N8O7S 786.4463 NA PeJP NA NA +PJ035075 SPTLLKE C35H62N8O12 786.4487 NA PeJP NA NA +PJ035076 GVLLKEE C35H62N8O12 786.4488 NA PeJP NA NA +PJ035077 GLQKRW C36H58N12O8 786.4501 NA PeJP NA NA +PJ035078 PQKKMR C33H62N12O8S 786.4535 NA PeJP NA NA +PJ035079 GDKRRR C30H58N16O9 786.4573 NA PeJP NA NA +PJ035080 LLKEER C34H62N10O11 786.46 NA PeJP NA NA +MJ094391 Glycerol; 1-(10-Methylhexadecyl) ether, 2-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 3-O-?-D-xylopyranoside C37H70O17 786.4613 NA MeJP NA NA +PJ035081 AAKRRW C35H58N14O7 786.4613 NA PeJP NA NA +PJ035082 VLLKEW C39H62N8O9 786.464 NA PeJP NA NA +PJ035083 PCKKRR C32H62N14O7S 786.4647 NA PeJP NA NA +PJ035084 SPVLLKM C36H66N8O9S 786.4674 NA PeJP NA NA +PJ035085 GSRRRR C29H58N18O8 786.4685 NA PeJP NA NA +MJ094392 Fucoxanthinol; 19'-Hexanoyloxy, 4-oxo, 3'-Ac C48H66O9 786.470683 NA MeJP NA NA +PJ035086 TLLERR C33H62N12O10 786.4712 NA PeJP NA NA +PJ035087 SLLLRW C38H62N10O8 786.4752 NA PeJP NA NA +PJ035088 GGVLKKW C38H62N10O8 786.4753 NA PeJP NA NA +MJ094393 20,24-Epoxydammarane-3,6,12,25-tetrol, 6-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C41H70O14 786.476556 NA MeJP NA NA +MJ094394 20,25-Epoxydammarane-3,6,12,24-tetrol, 6-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C41H70O14 786.476556 NA MeJP NA NA +MJ094395 21,28-Epoxy-3,18,23,29-baccharanetetrol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C41H70O14 786.476556 NA MeJP NA NA +MJ094396 21-Baccharene-3,18,27,28,29-pentol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-L-arabinopyranoside] C41H70O14 786.476556 NA MeJP NA NA +MJ094397 Cycloartane-3,6,16,24,25-pentol, 3-O-?-D-Xylopyranoside, 16-O-?-D-glucopyranoside C41H70O14 786.476556 NA MeJP NA NA +MJ094398 Cycloartane-3,6,16,24,25-pentol, 3-O-?-D-Xylopyranoside, 6-O-?-D-glucopyranoside C41H70O14 786.476556 NA MeJP NA NA +MJ094399 Cycloartane-3,7,16,24,25-pentol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside] C41H70O14 786.476556 NA MeJP NA NA +MJ094400 Dammar-23-ene-2,3,12,20,25-pentol, 20-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C41H70O14 786.476556 NA MeJP NA NA +MJ094401 Dammar-24-ene-2,3,12,20,26-pentol, 20-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] C41H70O14 786.476556 NA MeJP NA NA +MJ094402 Dammar-24-ene-3,7,18,20,26-pentol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucopyranoside] C41H70O14 786.476556 NA MeJP NA NA +PJ035089 AALLLMR C35H66N10O8S 786.4786 NA PeJP NA NA +PJ035090 AKKERR C32H62N14O9 786.4825 NA PeJP NA NA +PJ035091 ATLLLKE C36H66N8O11 786.4851 NA PeJP NA NA +PJ035092 GLKKRW C37H62N12O7 786.4865 NA PeJP NA NA +PJ035093 PKKKMR C34H66N12O7S 786.4898 NA PeJP NA NA +PJ035094 VLLMRR C34H66N12O7S 786.4899 NA PeJP NA NA +PJ035095 ATKRRR C31H62N16O8 786.4937 NA PeJP NA NA +PJ035096 ATTLLLR C35H66N10O10 786.4964 NA PeJP NA NA +PJ035097 GPLLLKF C40H66N8O8 786.5004 NA PeJP NA NA +PJ035098 GLLLLKM C37H70N8O8S 786.5038 NA PeJP NA NA +PJ035099 VKKKER C34H66N12O9 786.5076 NA PeJP NA NA +PJ035100 VVKKKW C39H66N10O7 786.5116 NA PeJP NA NA +PJ035101 SLKKRR C33H66N14O8 786.5188 NA PeJP NA NA +PJ035102 STLLLLK C37H70N8O10 786.5215 NA PeJP NA NA +PJ035103 GTLLKKK C36H70N10O9 786.5328 NA PeJP NA NA +MJ094403 20(29)-Lupene-3,28-diol, 3-O-(4-Hydroxy-E-cinnamoyl), 28-O-(8-ethoxycarbonyloctanoyl) C50H74O7 786.543454 NA MeJP NA NA +PJ035104 QKKKKK C35H70N12O8 786.544 NA PeJP NA NA +C04862 1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3- C40H86NO7P2S 786.56 NA KEGG NA NA +C04863 Nalpha-(2-naphthyl-sulfonyl-glycyl)-D-p-amidinopheyl- C40H86NO7P2S 786.56 NA KEGG NA NA +PJ035105 KKKKKK C36H74N12O7 786.5804 NA PeJP NA NA +MetaCyc04138 1-18:1-2-18:1-sn-glycerol-3-phosphocholine [] C44H85N1O8P1 786.60128 NA metacyc NA NA +MJ094404 Calvasterone C56H82O2 786.631481 NA MeJP NA NA +EUR1099 SM(d18:1/22:0) monoisotopic mass C45H91N2O6P 786.661476 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1099 SM(d18:1/22:0) monoisotopic mass C45H91N2O6P 786.661476 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1099 SM(d18:1/22:0) monoisotopic mass C45H91N2O6P 786.661476 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1099 SM(d18:1/22:0) monoisotopic mass C45H91N2O6P 786.661476 masses lipides attendues Inhousejuil11 NA NA +HMDB12092 SM(d18:0/22:1(13Z)) C45H91N2O6P 786.661499 NA HMDB2010 NA NA +HMDB12103 SM(d18:1/22:0) C45H91N2O6P 786.661499 NA HMDB2010 NA NA +MJ094405 Amphiasterin A4 C53H102O3 786.782897 NA MeJP NA NA +PJ035106 CCCDDDD C25H37N7O16S3 787.1459 NA PeJP NA NA +MetaCyc04139 FADH2 [flavin adenine dinucleotide reduced;1,5-dihydro-FAD;] C27H35N9O15P2 787.172785 1910-41-4 metacyc NA NA +HMDB01197 FADH C27H35N9O15P2 787.17279 http://www.hmdb.ca/metabolites/HMDB01197 HMDB NA NA +HMDB01197 FADH C27H35N9O15P2 787.17279 HMDB01197 PFEM_hmdb_metabocards_official NA NA +HMDB01197 FADH C27H35N9O15P2 787.172791 NA HMDB2010 NA NA +C01352 FADH2 C27H35N9O15P2 787.1728 NA KEGG NA NA +PJ035107 CCCCNNE C25H41N9O12S4 787.1758 NA PeJP NA NA +PJ035108 SCCDDDM C26H41N7O15S3 787.1823 NA PeJP NA NA +PJ035109 PCCCCEM C27H45N7O10S5 787.1832 NA PeJP NA NA +PJ035110 GCCCCNW C29H41N9O9S4 787.191 NA PeJP NA NA +PJ035111 GGGCCCCW C29H41N9O9S4 787.1911 NA PeJP NA NA +PJ035112 GSSCCCND C25H41N9O14S3 787.1935 NA PeJP NA NA +PJ035113 GGGSSCCCD C25H41N9O14S3 787.1936 NA PeJP NA NA +PJ035114 GCCDEMM C27H45N7O12S4 787.2009 NA PeJP NA NA +FL7AACGL0052 Cyanidin 3-(6''-ferulylglucoside)-5-glucoside C37H39O19 787.20855 79410-82-5 knapsack NA NA +FL7AADGL0015 Penidin 3-[6-(3-glucosylcaffeyl)glucoside] C37H39O19 787.20855 175737-95-8 knapsack NA NA +FL7AAHGL0013 Petunidin 3-(6''-p-coumarylglucoside)-5-glucoside C37H39O19 787.20855 51939-66-3 knapsack NA NA +PJ035115 SCCCNQM C26H45N9O11S4 787.2122 NA PeJP NA NA +PJ035116 GCCDDEF C30H41N7O14S2 787.2153 NA PeJP NA NA +PJ035117 CCDMMW C31H45N7O9S4 787.2162 NA PeJP NA NA +PJ035118 SSCDDMM C27H45N7O14S3 787.2187 NA PeJP NA NA +PJ035119 PTCCCMM C28H49N7O9S5 787.2196 NA PeJP NA NA +PJ035120 GCCCEHH C28H41N11O10S3 787.22 NA PeJP NA NA +PJ035121 SCCCCNR C25H45N11O10S4 787.2234 NA PeJP NA NA +PJ035122 GDDDDDH C28H37N9O18 787.2257 NA PeJP NA NA +PJ035123 GCCNNDY C29H41N9O13S2 787.2266 NA PeJP NA NA +FL7AADGL0008 Peonidin 3-gentiotrioside C34H43O21 787.22968 - knapsack NA NA +FL7AADGL0009 Peonidin 3-sophoroside-5-glucoside C34H43O21 787.22968 81360-22-7 knapsack NA NA +FL7AAHGL0008 Petunidin 3-rutinoside-5-glucoside C34H43O21 787.22968 40508-95-0 knapsack NA NA +PJ035124 GSSSCCNM C26H45N9O13S3 787.2299 NA PeJP NA NA +PJ035125 CCDDFW C34H41N7O11S2 787.2306 NA PeJP NA NA +PJ035126 GSCDDEY C30H41N7O16S 787.2331 NA PeJP NA NA +PJ035127 GPCCDMY C31H45N7O11S3 787.2339 NA PeJP NA NA +PJ035128 CCCHHW C32H41N11O7S3 787.2353 NA PeJP NA NA +PJ035129 GSCEMMM C28H49N7O11S4 787.2373 NA PeJP NA NA +PJ035130 SSCCDHH C28H41N11O12S2 787.2378 NA PeJP NA NA +PJ035131 SPCDDDH C29H41N9O15S 787.2443 NA PeJP NA NA +PJ035132 GCCNNMF C30H45N9O10S3 787.2452 NA PeJP NA NA +PJ035133 SSSSSCCQ C26H45N9O15S2 787.2477 NA PeJP NA NA +PJ035134 SCDDYW C34H41N7O13S 787.2483 NA PeJP NA NA +PJ035135 SCCCNKM C27H49N9O10S4 787.2486 NA PeJP NA NA +PJ035136 SSSDDDY C30H41N7O18 787.2508 NA PeJP NA NA +PJ035137 NDDMMY C31H45N7O13S2 787.2517 NA PeJP NA NA +PJ035138 SCMMMW C32H49N7O8S4 787.2526 NA PeJP NA NA +C04330 5,10-Methenyltetrahydromethanopterin C31H44N6O16P 787.2551 NA KEGG NA NA +PJ035139 SSSDMMM C28H49N7O13S3 787.2551 NA PeJP NA NA +MetaCyc04140 5,10-methylene-tetrahydromethanopterin [N5,N10-methylene-5,6,7,8-tetrahydromethanopterin;5,10-methylene-5,6,7,8-tetrahydromethanopterin;methylene-H4MPT;5,10-methylene-H4MPT;N5,N10-methylenetetrahydromethanopterin;] C31H44N6O16P1 787.255141 NA metacyc NA NA +PJ035140 ACNNDDH C28H41N11O14S 787.2555 NA PeJP NA NA +PJ035141 GCNNDEH C28H41N11O14S 787.2556 NA PeJP NA NA +PJ035142 NMMMMM C29H53N7O8S5 787.2559 NA PeJP NA NA +PJ035143 GGMMMMM C29H53N7O8S5 787.256 NA PeJP NA NA +PJ035144 GTCCMHH C29H45N11O9S3 787.2564 NA PeJP NA NA +PJ035145 GSDDEEH C29H41N9O17 787.2621 NA PeJP NA NA +PJ035146 CCDERY C30H45N9O12S2 787.2629 NA PeJP NA NA +PJ035147 GGGGGSCMY C30H45N9O12S2 787.263 NA PeJP NA NA +PJ035148 GSSSSSSSC C26H45N9O17S 787.2654 NA PeJP NA NA +PJ035149 NDDDFY C34H41N7O15 787.2661 NA PeJP NA NA +PJ035150 GSSTCCCK C27H49N9O12S3 787.2663 NA PeJP NA NA +PJ035151 GCEMYW C35H45N7O10S2 787.267 NA PeJP NA NA +PJ035152 GSSDEMY C31H45N7O15S 787.2695 NA PeJP NA NA +PJ035153 GSPCMMY C32H49N7O10S3 787.2703 NA PeJP NA NA +PJ035154 CNNDHW C32H41N11O11S 787.2708 NA PeJP NA NA +PJ035155 SSNNDDH C28H41N11O16 787.2733 NA PeJP NA NA +PJ035156 GSTMMMM C29H53N7O10S4 787.2737 NA PeJP NA NA +PJ035157 SSSCMHH C29H45N11O11S2 787.2742 NA PeJP NA NA +PJ035158 SDDEHW C33H41N9O14 787.2773 NA PeJP NA NA +PJ035159 PCDMHW C34H45N9O9S2 787.2782 NA PeJP NA NA +PJ035160 SSSCNQY C30H45N9O14S 787.2807 NA PeJP NA NA +PJ035161 CCEMFR C31H49N9O9S3 787.2816 NA PeJP NA NA +PJ035162 CMYWW C39H45N7O7S2 787.2822 NA PeJP NA NA +PJ035163 SSSSSCCK C27H49N9O14S2 787.2841 NA PeJP NA NA +PJ035164 SSDMYW C35H45N7O12S 787.2847 NA PeJP NA NA +PJ035165 TCCCCKK C28H53N9O9S4 787.2849 NA PeJP NA NA +PJ035166 ACMMFW C36H49N7O7S3 787.2856 NA PeJP NA NA +PJ035167 SSSSEEY C31H45N7O17 787.2872 NA PeJP NA NA +PJ035168 SQEMMY C32H49N7O12S2 787.2881 NA PeJP NA NA +PJ035169 CNMHHF C33H45N11O8S2 787.2894 NA PeJP NA NA +MJ094406 Phyllanthusol B; 4''-Hydroxy C35H49NO19 787.289878 NA MeJP NA NA +PJ035170 SSTTMMM C29H53N7O12S3 787.2914 NA PeJP NA NA +PJ035171 DDDMHR C29H45N11O13S 787.2919 NA PeJP NA NA +PJ035172 GGGGGSEMH C29H45N11O13S 787.292 NA PeJP NA NA +PJ035173 CNNQFY C34H45N9O11S 787.2959 NA PeJP NA NA +PJ035174 GEEMHW C34H45N9O11S 787.296 NA PeJP NA NA +PJ035175 GSSSSSNY C30H45N9O16 787.2984 NA PeJP NA NA +PJ035176 GGGSSSSSY C30H45N9O16 787.2985 NA PeJP NA NA +PJ035177 SCEMRY C31H49N9O11S2 787.2993 NA PeJP NA NA +PJ035178 NDEHHH C31H41N13O12 787.2998 NA PeJP NA NA +PJ035179 GPCYYW C39H45N7O9S 787.3 NA PeJP NA NA +PJ035180 GQEEYY C35H45N7O14 787.3025 NA PeJP NA NA +PJ035181 GSCNDHR C28H45N13O12S 787.3032 NA PeJP NA NA +PJ035182 GTMMYW C36H49N7O9S2 787.3033 NA PeJP NA NA +PJ035183 GAPCMFY C36H49N7O9S2 787.3034 NA PeJP NA NA +MJ094407 Nogalamycin C39H49NO16 787.305134 NA MeJP NA NA +PJ035184 GSTTEMY C32H49N7O14S 787.3058 NA PeJP NA NA +PJ035185 GPPEEEM C32H49N7O14S 787.3059 NA PeJP NA NA +PJ035186 VNMMMY C33H53N7O9S3 787.3067 NA PeJP NA NA +PJ035187 SNNMHW C33H45N11O10S 787.3072 NA PeJP NA NA +PJ035188 GPNDDDR C29H45N11O15 787.3097 NA PeJP NA NA +PJ035189 NQQMMH C30H49N11O10S2 787.3105 NA PeJP NA NA +PJ035190 GGQQMMH C30H49N11O10S2 787.3106 NA PeJP NA NA +PJ035191 EMHWW C38H45N9O8S 787.3112 NA PeJP NA NA +PJ035192 STEEHW C34H45N9O13 787.3137 NA PeJP NA NA +PJ035193 SPMMHW C35H49N9O8S2 787.3146 NA PeJP NA NA +PJ035194 GDHHHW C35H41N13O9 787.3151 NA PeJP NA NA +PJ035195 CFFWW C43H45N7O6S 787.3152 NA PeJP NA NA +PJ035196 SSSCNKY C31H49N9O13S 787.3171 NA PeJP NA NA +PJ035197 QEYYW C39H45N7O11 787.3177 NA PeJP NA NA +PJ035198 GMMMRY C32H53N9O8S3 787.318 NA PeJP NA NA +PJ035199 GPTCHHH C32H45N13O9S 787.3184 NA PeJP NA NA +PJ035200 GNNNNQQ C28H45N13O14 787.3209 NA PeJP NA NA +PJ035201 GGGGGGGGGQQ C28H45N13O14 787.321 NA PeJP NA NA +PJ035202 STTMYW C36H49N7O11S 787.3211 NA PeJP NA NA +PJ035203 CNQMHR C29H49N13O9S2 787.3218 NA PeJP NA NA +PJ035204 SSTTTEY C32H49N7O16 787.3236 NA PeJP NA NA +PJ035205 SKEMMY C33H53N7O11S2 787.3245 NA PeJP NA NA +PJ035206 GSSSQHW C33H45N11O12 787.3249 NA PeJP NA NA +PJ035207 GGGSSTHW C33H45N11O12 787.325 NA PeJP NA NA +PJ035208 SEEMHR C30H49N11O12S 787.3283 NA PeJP NA NA +PJ035209 GGGGGGGAAPM C30H49N11O12S 787.3284 NA PeJP NA NA +PJ035210 GPNEWW C38H45N9O10 787.329 NA PeJP NA NA +PJ035211 SVEMHW C35H49N9O10S 787.3323 NA PeJP NA NA +PJ035212 GGGSPPMW C35H49N9O10S 787.3324 NA PeJP NA NA +PJ035213 AYYWW C43H45N7O8 787.333 NA PeJP NA NA +PJ035214 SSSLEEH C31H49N9O15 787.3348 NA PeJP NA NA +PJ035215 PEEEER C31H49N9O15 787.3349 NA PeJP NA NA +PJ035216 STMMRY C32H53N9O10S2 787.3357 NA PeJP NA NA +PJ035217 TQEHHH C32H45N13O11 787.3362 NA PeJP NA NA +PJ035218 AAMFYW C40H49N7O8S 787.3364 NA PeJP NA NA +PJ035219 PVEEEW C36H49N7O13 787.3389 NA PeJP NA NA +PJ035220 GSTCQHR C29H49N13O11S 787.3395 NA PeJP NA NA +PJ035221 GSSNMHR C29H49N13O11S 787.3396 NA PeJP NA NA +PJ035222 PCKMFY C37H53N7O8S2 787.3397 NA PeJP NA NA +3732 NA YPFGFTG 787.34 ACE inhibitor Inhouse_peptide NA peptide +PJ035223 GNQHFW C37H45N11O9 787.3402 NA PeJP NA NA +MJ094408 Cosmomycin B; 1-Hydroxy C40H53NO15 787.34152 NA MeJP NA NA +PJ035224 SSSTLMY C33H53N7O13S 787.3422 NA PeJP NA NA +PJ035225 CLKMMY C34H57N7O8S3 787.3431 NA PeJP NA NA +PJ035226 SCQKHW C34H49N11O9S 787.3436 NA PeJP NA NA +PJ035227 PNWWW C42H45N9O7 787.3442 NA PeJP NA NA +PJ035228 GSPNEER C30H49N11O14 787.3461 NA PeJP NA NA +PJ035229 APPCNMR C31H53N11O9S2 787.3469 NA PeJP NA NA +PJ035230 VDMMHR C31H53N11O9S2 787.347 NA PeJP NA NA +PJ035231 SDHHHR C31H45N15O10 787.3474 NA PeJP NA NA +PJ035232 APMHFW C39H49N9O7S 787.3476 NA PeJP NA NA +PJ035233 PNDKEW C35H49N9O12 787.3501 NA PeJP NA NA +PJ035234 ALMMHW C36H53N9O7S2 787.351 NA PeJP NA NA +PJ035235 ATHHHW C36H45N13O8 787.3514 NA PeJP NA NA +PJ035236 GGPHHHF C36H45N13O8 787.3515 NA PeJP NA NA +PJ035237 GTTLEMH C32H53N9O12S 787.3535 NA PeJP NA NA +PJ035238 KEYYW C40H49N7O10 787.3541 NA PeJP NA NA +PJ035239 VQMHHH C33H49N13O8S 787.3548 NA PeJP NA NA +PJ035240 SSSSQHR C29H49N13O13 787.3573 NA PeJP NA NA +PJ035241 GGGGGGGGGGAK C29H49N13O13 787.3574 NA PeJP NA NA +PJ035242 SPKMYY C37H53N7O10S 787.3575 NA PeJP NA NA +PJ035243 GPPCCRR C30H53N13O8S2 787.3582 NA PeJP NA NA +PJ035244 TTTTTTY C33H53N7O15 787.36 NA PeJP NA NA +PJ035245 APPLEMM C34H57N7O10S2 787.3609 NA PeJP NA NA +PJ035246 SPNERW C34H49N11O11 787.3613 NA PeJP NA NA +PJ035247 GGGGGGLQW C34H49N11O11 787.3614 NA PeJP NA NA +PJ035248 PQQEMR C31H53N11O11S 787.3647 NA PeJP NA NA +PJ035249 APTQWW C39H49N9O9 787.3653 NA PeJP NA NA +PJ035250 GPDKWW C39H49N9O9 787.3654 NA PeJP NA NA +PJ035251 AMHHHR C32H49N15O7S 787.3661 NA PeJP NA NA +PJ035252 NNNDRR C28H49N15O12 787.3685 NA PeJP NA NA +PJ035253 GGNNDRR C28H49N15O12 787.3686 NA PeJP NA NA +PJ035254 TTLMHW C36H53N9O9S 787.3687 NA PeJP NA NA +PJ035255 AAFFFW C44H49N7O7 787.3694 NA PeJP NA NA +PJ035256 STTTLEH C32H53N9O14 787.3712 NA PeJP NA NA +PJ035257 GGGGALLDE C32H53N9O14 787.3713 NA PeJP NA NA +PJ035258 LKEMMH C33H57N9O9S2 787.3721 NA PeJP NA NA +PJ035259 GNQQRW C33H49N13O10 787.3726 NA PeJP NA NA +PJ035260 PCKFFF C41H53N7O7S 787.3728 NA PeJP NA NA +PJ035261 SVKEYY C37H53N7O12 787.3752 NA PeJP NA NA +PJ035262 PPPVTDY C37H53N7O12 787.3753 NA PeJP NA NA +PJ035263 PNDMRR C30H53N13O10S 787.3759 NA PeJP NA NA +PJ035264 GGPDMRR C30H53N13O10S 787.376 NA PeJP NA NA +PJ035265 CLKMFF C38H57N7O7S2 787.3761 NA PeJP NA NA +PJ035266 GSPRWW C38H49N11O8 787.3766 NA PeJP NA NA +PJ035267 GPLLEEM C34H57N7O12S 787.3786 NA PeJP NA NA +PJ035268 MRRYY C35H53N11O8S 787.3799 NA PeJP NA NA +PJ035269 APQMRW C35H53N11O8S 787.38 NA PeJP NA NA +PJ035270 LHFWW C43H49N9O6 787.3806 NA PeJP NA NA +PJ035271 SSTTQKH C31H53N11O13 787.3824 NA PeJP NA NA +PJ035272 VQQEER C31H53N11O13 787.3825 NA PeJP NA NA +PJ035273 TLMMHR C32H57N11O8S2 787.3833 NA PeJP NA NA +PJ035274 TTHHHR C32H49N15O9 787.3838 NA PeJP NA NA +PJ035275 PTQKEW C36H53N9O11 787.3865 NA PeJP NA NA +PJ035276 SSTLLMH C33H57N9O11S 787.3898 NA PeJP NA NA +PJ035277 VVTTTMH C33H57N9O11S 787.3899 NA PeJP NA NA +PJ035278 PPLEFW C41H53N7O9 787.3905 NA PeJP NA NA +PJ035279 APCRRW C34H53N13O7S 787.3912 NA PeJP NA NA +PJ035280 AQEERR C30H53N13O12 787.3937 NA PeJP NA NA +PJ035281 PLLEMW C38H57N7O9S 787.3939 NA PeJP NA NA +PJ035282 GVLLEEE C34H57N7O14 787.3964 NA PeJP NA NA +PJ035283 SPPILMM C35H61N7O9S2 787.3972 NA PeJP NA NA +PJ035284 SPPLLMM C35H61N7O9S2 787.3973 NA PeJP NA NA +PJ035285 GLQERW C35H53N11O10 787.3977 NA PeJP NA NA +MJ094409 Carboxymycobactins; Carboxymycobactin 4 C39H57N5O12 787.400372 NA MeJP NA NA +PJ035286 PQKEMR C32H57N11O10S 787.4011 NA PeJP NA NA +PJ035287 APTKWW C40H53N9O8 787.4017 NA PeJP NA NA +PJ035288 GGGLLWW C40H53N9O8 787.4018 NA PeJP NA NA +PJ035289 GDERRR C29H53N15O11 787.4049 NA PeJP NA NA +PJ035290 GGGGGATRR C29H53N15O11 787.405 NA PeJP NA NA +PJ035291 PVQKMW C37H57N9O8S 787.4051 NA PeJP NA NA +PJ035292 LLEEER C33H57N9O13 787.4076 NA PeJP NA NA +PJ035293 GPPKKMM C34H61N9O8S2 787.4085 NA PeJP NA NA +PJ035294 SNKHFR C34H53N13O9 787.4089 NA PeJP NA NA +PJ035295 AAERRW C34H53N13O9 787.409 NA PeJP NA NA +PJ035296 VLLEEW C38H57N7O11 787.4116 NA PeJP NA NA +PJ035297 PTQMRR C31H57N13O9S 787.4123 NA PeJP NA NA +PJ035298 LQRWW C39H53N11O7 787.413 NA PeJP NA NA +PJ035299 SPVLLEM C35H61N7O11S 787.415 NA PeJP NA NA +MJ094410 Antibiotic YF 044P-D C43H57N5O9 787.415628 NA MeJP NA NA +PJ035300 APKMRW C36H57N11O7S 787.4164 NA PeJP NA NA +3699 NA NRKQDK 787.4168 ACE inhibitor Inhouse_peptide NA peptide +PJ035301 LNKEER C32H57N11O12 787.4188 NA PeJP NA NA +PJ035302 VQKEER C32H57N11O12 787.4189 NA PeJP NA NA +PJ035303 DRRRW C33H53N15O8 787.4202 NA PeJP NA NA +PJ035304 PTKKEW C37H57N9O10 787.4229 NA PeJP NA NA +PJ035305 PTCRRR C30H57N15O8S 787.4236 NA PeJP NA NA +PJ035306 APVDKKM C34H61N9O10S 787.4262 NA PeJP NA NA +PJ035307 GPVKKEM C34H61N9O10S 787.4263 NA PeJP NA NA +PJ035308 PPLLYW C42H57N7O8 787.4269 NA PeJP NA NA +PJ035309 AKEERR C31H57N13O11 787.4301 NA PeJP NA NA +PJ035310 APPLLMF C39H61N7O8S 787.4303 NA PeJP NA NA +PJ035311 ATLLLEE C35H61N7O13 787.4328 NA PeJP NA NA +PJ035312 APLLLMM C36H65N7O8S2 787.4336 NA PeJP NA NA +PJ035313 GLKERW C36H57N11O9 787.4341 NA PeJP NA NA +PJ035314 PKKEMR C33H61N11O9S 787.4375 NA PeJP NA NA +PJ035315 GVLKWW C41H57N9O7 787.4381 NA PeJP NA NA +PJ035316 ATERRR C30H57N15O10 787.4413 NA PeJP NA NA +PJ035317 PVKKMW C38H61N9O7S 787.4415 NA PeJP NA NA +PJ035318 AALKKEE C34H61N9O12 787.444 NA PeJP NA NA +PJ035319 GTLRRW C35H57N13O8 787.4453 NA PeJP NA NA +PJ035320 GGGKKRW C35H57N13O8 787.4454 NA PeJP NA NA +PJ035321 SPPVLLY C39H61N7O10 787.448 NA PeJP NA NA +PJ035322 PTKMRR C32H61N13O8S 787.4487 NA PeJP NA NA +PJ035323 LKRWW C40H57N11O6 787.4494 NA PeJP NA NA +MJ094411 Fujimycin; 31-O-De-Me, 31-ketone C43H65NO12 787.450676 NA MeJP NA NA +PJ035324 GLLLLEM C36H65N7O10S 787.4514 NA PeJP NA NA +PJ035325 VKKEER C33H61N11O11 787.4552 NA PeJP NA NA +PJ035326 GGAAKKKE C33H61N11O11 787.4553 NA PeJP NA NA +PJ035327 GPFRRR C34H57N15O7 787.4566 NA PeJP NA NA +PJ035328 VVKKEW C38H61N9O9 787.4593 NA PeJP NA NA +PJ035329 GLMRRR C31H61N15O7S 787.46 NA PeJP NA NA +PJ035330 APTLKKM C35H65N9O9S 787.4626 NA PeJP NA NA +PJ035331 PLLLFW C43H61N7O7 787.4633 NA PeJP NA NA +PJ035332 SLKERR C32H61N13O10 787.4665 NA PeJP NA NA +PJ035333 LLLLMW C40H65N7O7S 787.4667 NA PeJP NA NA +PJ035334 STLLLLE C36H65N7O12 787.4691 NA PeJP NA NA +PJ035335 TTILLLD C36H65N7O12 787.4692 NA PeJP NA NA +PJ035336 SVLKRW C37H61N11O8 787.4705 NA PeJP NA NA +MJ094412 Erythromycin D; 3'',4''-Di-O-Ac C40H69NO14 787.471805 NA MeJP NA NA +PJ035337 LLQKMR C34H65N11O8S 787.4739 NA PeJP NA NA +PJ035338 STLRRR C31H61N15O9 787.4777 NA PeJP NA NA +PJ035339 GTLLKKE C35H65N9O11 787.4804 NA PeJP NA NA +PJ035340 LLLHHR C36H61N13O7 787.4817 NA PeJP NA NA +PJ035341 GPLLLLY C40H65N7O9 787.4844 NA PeJP NA NA +PJ035342 VVKMRR C33H65N13O7S 787.4851 NA PeJP NA NA +PJ035343 SVLLLLM C37H69N7O9S 787.4878 NA PeJP NA NA +PJ035344 GTTLLKR C34H65N11O10 787.4916 NA PeJP NA NA +PJ035345 TLLKKW C39H65N9O8 787.4956 NA PeJP NA NA +PJ035346 GPVLKKF C39H65N9O8 787.4957 NA PeJP NA NA +PJ035347 GVLLKKM C36H69N9O8S 787.499 NA PeJP NA NA +PJ035348 TQKKKR C33H65N13O9 787.5029 NA PeJP NA NA +MJ094413 Nephilatoxin 3 C38H65N11O7 787.506843 NA MeJP NA NA +PJ035349 AKKKKW C38H65N11O7 787.5069 NA PeJP NA NA +PJ035350 LLKKMR C35H69N11O7S 787.5102 NA PeJP NA NA +HMDB09111 PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09142 PE(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09143 PE(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09175 PE(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09176 PE(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09207 PE(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09335 PE(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09368 PE(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09399 PE(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09400 PE(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09432 PE(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09433 PE(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09463 PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09464 PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09591 PE(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09622 PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09623 PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09655 PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09656 PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB09687 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) C45H74NO8P 787.515198 NA HMDB2010 NA NA +HMDB05351 GPEtn(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[U] C45H74NO8P 787.5152 http://www.hmdb.ca/metabolites/HMDB05351 HMDB NA NA +HMDB05351 GPEtn(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[U] C45H74NO8P 787.5152 HMDB05351 PFEM_hmdb_metabocards_official NA NA +MJ094414 Tetraiodomercurate(2-); Di-K salt HgI4K2 787.515913 NA MeJP NA NA +PJ035351 SSLLLKK C36H69N9O10 787.5168 NA PeJP NA NA +C11607 N-Acetyl-leu-leu-leu-leu-leu-tyr-amide C41H69N7O8 787.5208 NA KEGG NA NA +PJ035352 GLLLLLF C41H69N7O8 787.5208 NA PeJP NA NA +PJ035353 KKKKKE C35H69N11O9 787.528 NA PeJP NA NA +HMDB12380 PS(18:0/18:2(9Z,12Z)) C42H78NO10P 787.536316 NA HMDB2010 NA NA +HMDB12390 PS(18:1(9Z)/18:1(9Z)) C42H78NO10P 787.536316 NA HMDB2010 NA NA +HMDB12400 PS(18:2(9Z,12Z)/18:0) C42H78NO10P 787.536316 NA HMDB2010 NA NA +PJ035354 TKKKKR C34H69N13O8 787.5392 NA PeJP NA NA +EUR959 PC 36:1 monoisotopic mass C44H86NO8P 787.609107 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR959 PC 36:1 monoisotopic mass C44H86NO8P 787.609107 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR959 PC 36:1 monoisotopic mass C44H86NO8P 787.609107 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR959 PC 36:1 monoisotopic mass C44H86NO8P 787.609107 masses lipides attendues Inhousejuil11 NA NA +HMDB07887 PC(14:0/22:1(13Z)) C44H86NO8P 787.609131 NA HMDB2010 NA NA +HMDB07919 PC(14:1(9Z)/22:0) C44H86NO8P 787.609131 NA HMDB2010 NA NA +HMDB07978 PC(16:0/20:1(11Z)) C44H86NO8P 787.609131 NA HMDB2010 NA NA +HMDB08010 PC(16:1(9Z)/20:0) C44H86NO8P 787.609131 NA HMDB2010 NA NA +HMDB08037 PC(18:0/18:1(11Z)) C44H86NO8P 787.609131 NA HMDB2010 NA NA +HMDB08038 PC(18:0/18:1(9Z)) C44H86NO8P 787.609131 NA HMDB2010 NA NA +HMDB08069 PC(18:1(11Z)/18:0) C44H86NO8P 787.609131 NA HMDB2010 NA NA +HMDB08102 PC(18:1(9Z)/18:0) C44H86NO8P 787.609131 NA HMDB2010 NA NA +HMDB08266 PC(20:0/16:1(9Z)) C44H86NO8P 787.609131 NA HMDB2010 NA NA +HMDB08298 PC(20:1(11Z)/16:0) C44H86NO8P 787.609131 NA HMDB2010 NA NA +HMDB08526 PC(22:0/14:1(9Z)) C44H86NO8P 787.609131 NA HMDB2010 NA NA +HMDB08558 PC(22:1(13Z)/14:0) C44H86NO8P 787.609131 NA HMDB2010 NA NA +HMDB08915 PE(15:0/24:1(15Z)) C44H86NO8P 787.609131 NA HMDB2010 NA NA +HMDB09747 PE(24:1(15Z)/15:0) C44H86NO8P 787.609131 NA HMDB2010 NA NA +MJ094415 Acanthacerebroside C C44H85NO10 787.617347 NA MeJP NA NA +MJ094416 Astrocerebrosides; Astrocerebroside B C44H85NO10 787.617347 NA MeJP NA NA +HMDB09511 PE(22:0/P-18:0) C45H90NO7P 787.645508 NA HMDB2010 NA NA +HMDB09741 PE(24:0/P-16:0) C45H90NO7P 787.645508 NA HMDB2010 NA NA +HMDB11362 PE(P-16:0/24:0) C45H90NO7P 787.645508 NA HMDB2010 NA NA +HMDB11388 PE(P-18:0/22:0) C45H90NO7P 787.645508 NA HMDB2010 NA NA +MJ094417 Mauritiamine C22H20Br4N10O3 787.845335 NA MeJP NA NA +MJ094418 Ageliferin; 2,2'-Dibromo, 1'-N-Me C23H24Br4N10O2 787.88172 NA MeJP NA NA +HMDB01379 Diguanosine triphosphate C20H27N10O18P3 788.071777 NA HMDB2010 NA NA +HMDB01379 Diguanosine triphosphate C20H27N10O18P3 788.07178 http://www.hmdb.ca/metabolites/HMDB01379 HMDB NA NA +HMDB01379 Diguanosine triphosphate C20H27N10O18P3 788.07178 HMDB01379 PFEM_hmdb_metabocards_official NA NA +C04516 1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose C34H28O22 788.1072 NA KEGG NA NA +C04517 1-(1-Alkenyl)-sn-glycero-3-phosphocholine C10H22NO6PR 788.1072 NA KEGG NA NA +C10243 1,2,3,4-Tetragalloyl-alpha-D-glucose C34H28O22 788.1072 NA KEGG NA NA +MJ094419 1,2,3,4-Tetragalloylglucose; ?-D-Pyranose-form C34H28O22 788.107222 NA MeJP NA NA +MJ094420 1,2,3,6-Tetragalloylglucose; ?-D-Pyranose-form C34H28O22 788.107222 NA MeJP NA NA +MJ094421 1,2,4,6-Tetragalloylglucose; ?-D-Pyranose-form C34H28O22 788.107222 NA MeJP NA NA +MJ094422 1,3,4,6-Tetragalloylglucose; ?-D-Pyranose-form C34H28O22 788.107222 NA MeJP NA NA +MJ094423 2,3,4,6-Tetragalloylglucose; D-Pyranose-form C34H28O22 788.107222 NA MeJP NA NA +MJ094424 2-C-Hydroxymethylribose; D-Furanose-form, 1,2',3,5-Tetrakis(3,4,5-trihydroxybenzoyl) C34H28O22 788.107222 NA MeJP NA NA +MJ094425 Allose; ?-D-Pyranose-form, 1,2,3,6-Tetrakis-O-(3,4,5-trihydroxybenzoyl) C34H28O22 788.107222 NA MeJP NA NA +MetaCyc04141 1,2,3,6-tetrakis-O-galloyl-β-D-glucose [] C34H28O22 788.107223 NA metacyc NA NA +PJ035355 CCCCNDE C25H40N8O13S4 788.1598 NA PeJP NA NA +PJ035356 GCCCCDW C29H40N8O10S4 788.1751 NA PeJP NA NA +PJ035357 GSSCCCDD C25H40N8O15S3 788.1776 NA PeJP NA NA +PJ035358 GPTCCCCC C26H44N8O10S5 788.1784 NA PeJP NA NA +FL3FECGS0022 6-Hydroxyluteoin-7-(6'''-caffeylsophoroside) C36H36O20 788.17999 113720-07-3 knapsack NA NA +FL5FACGL0064 Quercetin 3-(2'''-caffeylsophoroside) C36H36O20 788.17999 162556-38-9 knapsack NA NA +FL5FACGS0104 Madreselvin B;Quercetin 3-(6'''-caffeoylgentiobioside);2-(3,4-Dihydroxyphenyl)-3-[[6-O-[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one C36H36O20 788.17999 188682-90-8 knapsack NA NA +FL5FACGS0105 Quercetin 3-(6''-caffeoylsophoroside);2-(3,4-Dihydroxyphenyl)-3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one C36H36O20 788.17999 365544-18-9 knapsack NA NA +MJ094426 3',4',5,6,7-Pentahydroxyflavone; 7-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C36H36O20 788.179993 NA MeJP NA NA +MJ094427 3,3',4',5,7-Pentahydroxyflavone; 3-O-[3,4-Dihydroxycinnamoyl-(??)-sophoroside] C36H36O20 788.179993 NA MeJP NA NA +MJ094428 Isoquercitrin; 2''-[3,4-Dihydroxycinnamoyl-(?2)-?-D-glucopyranosyl] C36H36O20 788.179993 NA MeJP NA NA +MJ094429 Isoquercitrin; 6''-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranosyl](E-) C36H36O20 788.179993 NA MeJP NA NA +MJ094430 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C36H37O20(+) 788.179993 NA MeJP NA NA +PJ035359 SCCCNEM C26H44N8O12S4 788.1962 NA PeJP NA NA +C12668 Quercetin C33H40O22 788.2011 NA KEGG NA NA +C12669 Transferred to D01240 C33H40O22 788.2011 NA KEGG NA NA +C12670 Transferred to D01241 C33H40O22 788.2011 NA KEGG NA NA +C12671 Transferred to D01242 C33H40O22 788.2011 NA KEGG NA NA +C12672 Transferred to D01243 C33H40O22 788.2011 NA KEGG NA NA +FL5FACGL0020 Quercetin 3-sophorotrioside C33H40O22 788.20112 38681-85-5 knapsack NA NA +FL5FACGL0027 Quercetin 3-(2G-glucosylgentiobioside) C33H40O22 788.20112 55696-56-5 knapsack NA NA +FL5FACGL0033 Quercetin 3-sophoroside-7-glucoside;2-(3,4-Dihydroxyphenyl)-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one C33H40O22 788.20112 42903-93-5 knapsack NA NA +FL5FACGL0036 Quercetin 3-gentiobioside-7-glucoside C33H40O22 788.20112 84534-23-6 knapsack NA NA +FL5FACGL0046 Quercetin 3-glucoside-7-sophoroside C33H40O22 788.20112 144396-08-7 knapsack NA NA +FL5FACGL0050 Quercetin 3,7,4'-triglucoside C33H40O22 788.20112 133563-23-2 knapsack NA NA +FL5FACGS0076 Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside;3-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C33H40O22 788.20112 197250-97-8 knapsack NA NA +FL5FACGS0082 Quercetin 3-glucosyl-(1->2)-galactoside-7-glucoside;2-(3,4-Dihydroxyphenyl)-3-[(2-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one C33H40O22 788.20112 382143-42-2 knapsack NA NA +FL5FACGS0084 Quercetin 3,3',4'-triglucoside;2-[3,4-Bis(beta-D-glucopyranosyloxy)phenyl]-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one C33H40O22 788.20112 352639-75-9 knapsack NA NA +FL5FAGGL0007 Myricetin 3-rhamnosyl-(1->3)-glucosyl-(1->6)-glucoside C33H40O22 788.20112 - knapsack NA NA +FL5FAGGL0008 Myricetin 3-rutinoside-7-glucoside C33H40O22 788.20112 55481-92-0 knapsack NA NA +FL5FAGGS0026 Myricetin 3-glucosyl-(1->2)-rhamnoside-7-glucoside;3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one C33H40O22 788.20112 245036-43-5 knapsack NA NA +FL5FEAGL0004 6-Hydroxykaempferol 3,6,7-triglucoside C33H40O22 788.20112 145134-62-9 knapsack NA NA +FL5FECGL0007 Patuletin 3-glucosyl-(1->6)[apiosyl-(1->2)-glucoside] C33H40O22 788.20112 101021-30-1 knapsack NA NA +FL5FFAGL0003 Herbacetin 3-sophoroside-8-glucoside C33H40O22 788.20112 77298-68-1 knapsack NA NA +MJ094431 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C33H40O22 788.201122 NA MeJP NA NA +MJ094432 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-L-rhamnopyranoside] C33H40O22 788.201122 NA MeJP NA NA +MJ094433 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-D-glucopyranoside C33H40O22 788.201122 NA MeJP NA NA +MJ094434 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C33H40O22 788.201122 NA MeJP NA NA +MJ094435 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C33H40O22 788.201122 NA MeJP NA NA +MJ094436 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C33H40O22 788.201122 NA MeJP NA NA +MJ094437 3,4',5,6,7-Pentahydroxyflavone; 3,6,7-Tri-O-?-D-glucopyranoside C33H40O22 788.201122 NA MeJP NA NA +MJ094438 3,4',5,7,8-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 8-O-?-D-glucopyranoside C33H40O22 788.201122 NA MeJP NA NA +MJ094439 Isoquercitrin; 2''-O-[? D-Glucopyranosyl-(1?2)-?-D-galactopyranosyl] C33H40O22 788.201122 NA MeJP NA NA +MJ094440 Isoquercitrin; 4',7-Di-O-?-D-glucopyranoside C33H40O22 788.201122 NA MeJP NA NA +MJ094441 Isoquercitrin; 6''-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl] C33H40O22 788.201122 NA MeJP NA NA +MJ094442 Quercimeritrin; 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside] C33H40O22 788.201122 NA MeJP NA NA +MJ094443 Quercimeritrin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] C33H40O22 788.201122 NA MeJP NA NA +MJ094444 Quercimeritrin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C33H40O22 788.201122 NA MeJP NA NA +MJ094445 Quercimeritrin; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C33H40O22 788.201122 NA MeJP NA NA +MJ094446 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3,3',7-Tri-O-?-D-glucopyranoside C33H41O22(+) 788.201122 NA MeJP NA NA +MJ094447 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C33H41O22(+) 788.201122 NA MeJP NA NA +PJ035360 SCCCCDR C25H44N10O11S4 788.2074 NA PeJP NA NA +PJ035361 GCCNDDY C29H40N8O14S2 788.2106 NA PeJP NA NA +PJ035362 GSCCCMW C30H44N8O9S4 788.2114 NA PeJP NA NA +PJ035363 GGPCCCCF C30H44N8O9S4 788.2115 NA PeJP NA NA +PJ035364 GSSSCCDM C26H44N8O14S3 788.2139 NA PeJP NA NA +PJ035365 GCCNMMM C27H48N8O9S5 788.2148 NA PeJP NA NA +PJ035366 ACCCCMR C26H48N10O8S5 788.226 NA PeJP NA NA +PJ035367 VCCCCCR C26H48N10O8S5 788.2261 NA PeJP NA NA +PJ035368 SSTCCCW C30H44N8O11S3 788.2292 NA PeJP NA NA +PJ035369 SSSSSCCE C26H44N8O16S2 788.2317 NA PeJP NA NA +PJ035370 SSCCQMM C27H48N8O11S4 788.2326 NA PeJP NA NA +PJ035371 DDDMMY C31H44N6O14S2 788.2357 NA PeJP NA NA +PJ035372 GCNDDEH C28H40N10O15S 788.2396 NA PeJP NA NA +PJ035373 DMMMMM C29H52N6O9S5 788.24 NA PeJP NA NA +PJ035374 SSCCCMR C26H48N10O10S4 788.2438 NA PeJP NA NA +PJ035375 CCCQFW C34H44N8O8S3 788.2445 NA PeJP NA NA +PJ035376 GSCNDMY C30H44N8O13S2 788.247 NA PeJP NA NA +PJ035377 DDDDFY C34H40N6O16 788.2501 NA PeJP NA NA +PJ035378 GSSSSCMM C27H48N8O13S3 788.2503 NA PeJP NA NA +PJ035379 ACCCKMM C28H52N8O8S5 788.2512 NA PeJP NA NA +PJ035380 DDMMMF C32H48N6O11S3 788.2543 NA PeJP NA NA +PJ035381 CNDDHW C32H40N10O12S 788.2548 NA PeJP NA NA +PJ035382 SSNDDDH C28H40N10O17 788.2573 NA PeJP NA NA +PJ035383 SPCCNEH C29H44N10O12S2 788.2582 NA PeJP NA NA +PJ035384 CMMMHH C30H48N10O7S4 788.2591 NA PeJP NA NA +PJ035385 SCCQYW C34H44N8O10S2 788.2622 NA PeJP NA NA +C04377 5,10-Methylenetetrahydromethanopterin C31H45N6O16P 788.263 NA KEGG NA NA +PJ035386 SSSCNEY C30H44N8O15S 788.2647 NA PeJP NA NA +PJ035387 CNQMMY C31H48N8O10S3 788.2656 NA PeJP NA NA +PJ035388 SSSSSTCM C27H48N8O15S2 788.2681 NA PeJP NA NA +PJ035389 PCDEYY C35H44N6O13S 788.2687 NA PeJP NA NA +PJ035390 SSCCKMM C28H52N8O10S4 788.2689 NA PeJP NA NA +PJ035391 TTCCCKM C28H52N8O10S4 788.269 NA PeJP NA NA +PJ035392 GCNNNMH C28H44N12O11S2 788.2694 NA PeJP NA NA +PJ035393 GGGGGGGCMH C28H44N12O11S2 788.2695 NA PeJP NA NA +PJ035394 SEEMMY C32H48N6O13S2 788.2721 NA PeJP NA NA +PJ035395 GSPCCHW C33H44N10O9S2 788.2734 NA PeJP NA NA +PJ035396 CDMHHF C33H44N10O9S2 788.2735 NA PeJP NA NA +PJ035397 GTCDQEH C29H44N10O14S 788.2759 NA PeJP NA NA +PJ035398 GSNDEMH C29H44N10O14S 788.276 NA PeJP NA NA +PJ035399 CCNMRY C30H48N10O9S3 788.2768 NA PeJP NA NA +MJ094448 Phomopsin A C36H45ClN6O12 788.278398 NA MeJP NA NA +PJ035400 GSSSCYW C34H44N8O12S 788.28 NA PeJP NA NA +PJ035401 CCCKFW C35H48N8O7S3 788.2808 NA PeJP NA NA +PJ035402 GSSSSSDY C30H44N8O17 788.2825 NA PeJP NA NA +PJ035403 GSSNMMY C31H48N8O12S2 788.2833 NA PeJP NA NA +PJ035404 GPPPTCCD C31H48N8O12S2 788.2834 NA PeJP NA NA +PJ035405 DDEHHH C31H40N12O13 788.2838 NA PeJP NA NA +PJ035406 GEEEYY C35H44N6O15 788.2865 NA PeJP NA NA +PJ035407 GSCDDHR C28H44N12O13S 788.2872 NA PeJP NA NA +PJ035408 PCEMFY C36H48N6O10S2 788.2874 NA PeJP NA NA +PJ035409 APCCCHR C29H48N12O8S3 788.2881 NA PeJP NA NA +MJ094449 3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-[4-hydroxy-3,5-dimethoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C39H48O17 788.28915 NA MeJP NA NA +PJ035410 VDMMMY C33H52N6O10S3 788.2907 NA PeJP NA NA +PJ035411 SNDMHW C33H44N10O11S 788.2912 NA PeJP NA NA +PJ035412 GPDDDDR C29H44N10O16 788.2937 NA PeJP NA NA +PJ035413 GSTCCRY C30H48N10O11S2 788.2946 NA PeJP NA NA +PJ035414 GCNFYW C38H44N8O9S 788.2952 NA PeJP NA NA +PJ035415 PNDEEW C34H44N8O14 788.2977 NA PeJP NA NA +PJ035416 SCCKYW C35H48N8O9S2 788.2986 NA PeJP NA NA +PJ035417 SSSSQMY C31H48N8O14S 788.3011 NA PeJP NA NA +PJ035418 EEYYW C39H44N6O12 788.3017 NA PeJP NA NA +PJ035419 CNKMMY C32H52N8O9S3 788.302 NA PeJP NA NA +PJ035420 GSSSSNNH C28H44N12O15 788.3049 NA PeJP NA NA +PJ035421 GGGGGSSSSH C28H44N12O15 788.305 NA PeJP NA NA +PJ035422 SPEMYY C36H48N6O12S 788.3051 NA PeJP NA NA +PJ035423 CNEMHR C29H48N12O10S2 788.3058 NA PeJP NA NA +PJ035424 GTCHWW C37H44N10O8S 788.3065 NA PeJP NA NA +PJ035425 GSSSEHW C33H44N10O13 788.309 NA PeJP NA NA +PJ035426 VMMMMF C34H56N6O7S4 788.3094 NA PeJP NA NA +PJ035427 GQMMHW C34H48N10O8S2 788.3098 NA PeJP NA NA +PJ035428 SSSSCRY C30H48N10O13S 788.3123 NA PeJP NA NA +PJ035429 GGGGGPQEM C30H48N10O13S 788.3124 NA PeJP NA NA +PJ035430 GPDEWW C38H44N8O11 788.313 NA PeJP NA NA +PJ035431 APCCKMH C31H52N10O8S3 788.3132 NA PeJP NA NA +PJ035432 NNMHHH C31H44N14O9S 788.3137 NA PeJP NA NA +MJ094450 17-Hydroxydihydromyrsinol; 3,14-Bis(3-pyridinecarbonyl), 7-(2-methylpropanoyl), 5,15,17-tri-Ac C42H48N2O13 788.315639 NA MeJP NA NA +C08439 Phalloidin C35H48N8O11S 788.3163 NA KEGG NA NA +PJ035433 GQQMYY C35H48N8O11S 788.3163 NA PeJP NA NA +MJ094451 Phalloidin C35H48N8O11S 788.316325 NA MeJP NA NA +PJ035434 GSPPDMW C35H48N8O11S 788.3164 NA PeJP NA NA +PJ035435 CCDHRR C28H48N14O9S2 788.3171 NA PeJP NA NA +PJ035436 GSSSSTTY C31H48N8O16 788.3188 NA PeJP NA NA +PJ035437 GPTQEEE C31H48N8O16 788.3189 NA PeJP NA NA +PJ035438 GSTCKMY C32H52N8O11S2 788.3197 NA PeJP NA NA +PJ035439 NNNNQW C32H44N12O12 788.3202 NA PeJP NA NA +PJ035440 PPCFYY C40H48N6O9S 788.3204 NA PeJP NA NA +PJ035441 GCMHRW C33H48N12O7S2 788.3211 NA PeJP NA NA +PJ035442 SVEEYY C36H48N6O14 788.3229 NA PeJP NA NA +PJ035443 GSSDMHR C29H48N12O12S 788.3236 NA PeJP NA NA +PJ035444 PCLMYY C37H52N6O9S2 788.3237 NA PeJP NA NA +PJ035445 VDMMFF C37H52N6O9S2 788.3238 NA PeJP NA NA +PJ035446 SSSHWW C37H44N10O10 788.3242 NA PeJP NA NA +3501 ACE inhibitor from as1-casein AYFYPE 788.325 ACE inhibitor Inhouse_peptide NA peptide +MJ094452 6,7,15,16,24-Pentaacetoxy-22-carbomethoxy-21,22-epoxy-18-hydroxy-27,30-bisnor-3,4-seco-1,20(29)-friedeladien-3,4-olide C40H52O16 788.325535 NA MeJP NA NA +MJ094453 Correolide C40H52O16 788.325535 NA MeJP NA NA +MJ094454 Isoterracinolide A; 7-Deacyl, 7-propanoyl C40H52O16 788.325535 NA MeJP NA NA +PJ035447 TLMMMY C34H56N6O9S3 788.3271 NA PeJP NA NA +PJ035448 STQMHW C34H48N10O10S 788.3276 NA PeJP NA NA +PJ035449 PDWWW C42H44N8O8 788.3282 NA PeJP NA NA +PJ035450 GSPDEER C30H48N10O15 788.3301 NA PeJP NA NA +PJ035451 GPPCEMR C31H52N10O10S2 788.331 NA PeJP NA NA +PJ035452 GSSQHHH C31H44N14O11 788.3314 NA PeJP NA NA +PJ035453 GGGGGPNHH C31H44N14O11 788.3315 NA PeJP NA NA +PJ035454 PPTCWW C39H48N8O8S 788.3316 NA PeJP NA NA +PJ035455 PTQEEW C35H48N8O13 788.3341 NA PeJP NA NA +MJ094455 Naphthomycin J; Decarboxy C43H52N2O10S 788.334266 NA MeJP NA NA +PJ035456 PPQMMW C36H52N8O8S2 788.335 NA PeJP NA NA +PJ035457 PDHHHF C36H44N12O9 788.3355 NA PeJP NA NA +MJ094456 Ditercalinium(2+); Dichloride C46H50Cl2N6O2 788.33723 NA MeJP NA NA +PJ035458 SSSSKMY C32H52N8O13S 788.3375 NA PeJP NA NA +PJ035459 SPPYYY C40H48N6O11 788.3381 NA PeJP NA NA +PJ035460 STCHRW C33H48N12O9S 788.3388 NA PeJP NA NA +PJ035461 NHFWW C41H44N10O7 788.3395 NA PeJP NA NA +PJ035462 SSSSEHR C29H48N12O14 788.3413 NA PeJP NA NA +PJ035463 GGGGGAEER C29H48N12O14 788.3414 NA PeJP NA NA +PJ035464 ALEMYY C37H52N6O11S 788.3415 NA PeJP NA NA +PJ035465 SQMMHR C30H52N12O9S2 788.3422 NA PeJP NA NA +PJ035466 AMHHFF C38H48N10O7S 788.3429 NA PeJP NA NA +PJ035467 SPDERW C34H48N10O12 788.3453 NA PeJP NA NA +PJ035468 PTDDRW C34H48N10O12 788.3454 NA PeJP NA NA +PJ035469 PPCMRW C35H52N10O7S2 788.3462 NA PeJP NA NA +PJ035470 PQEEMR C31H52N10O12S 788.3487 NA PeJP NA NA +PJ035471 APTEWW C39H48N8O10 788.3494 NA PeJP NA NA +PJ035472 CQKHHH C32H48N14O8S 788.3501 NA PeJP NA NA +PJ035473 GTNNNNR C28H48N14O13 788.3525 NA PeJP NA NA +PJ035474 NNDDRR C28H48N14O13 788.3526 NA PeJP NA NA +PJ035475 PVQEMW C36H52N8O10S 788.3527 NA PeJP NA NA +PJ035476 GAPLDMW C36H52N8O10S 788.3528 NA PeJP NA NA +PJ035477 SCMHRR C29H52N14O8S2 788.3534 NA PeJP NA NA +PJ035478 GPTKEEE C32H52N8O15 788.3552 NA PeJP NA NA +PJ035479 ASPKEEE C32H52N8O15 788.3553 NA PeJP NA NA +MJ094457 3-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Me glycoside, 4,6-O-benzylidene, tetrabenzyl C48H52O10 788.356047 NA MeJP NA NA +PJ035480 GPPKEMM C33H56N8O10S2 788.3561 NA PeJP NA NA +PJ035481 GNQERW C33H48N12O11 788.3566 NA PeJP NA NA +PJ035482 PCLFFY C41H52N6O8S 788.3568 NA PeJP NA NA +PJ035483 TTLEYY C37H52N6O13 788.3593 NA PeJP NA NA +PJ035484 GSTTMHR C30H52N12O11S 788.3599 NA PeJP NA NA +PJ035485 PDDMRR C30H52N12O11S 788.36 NA PeJP NA NA +PJ035486 VVMMFY C38H56N6O8S2 788.3601 NA PeJP NA NA +PJ035487 AAQQWW C38H48N10O9 788.3606 NA PeJP NA NA +MJ094458 13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside], ?-D-glucopyranosyl ester C41H56O15 788.361921 NA MeJP NA NA +PJ035488 APEMRW C35H52N10O9S 788.364 NA PeJP NA NA +PJ035489 GPPFWW C43H48N8O7 788.3646 NA PeJP NA NA +PJ035490 VQEEER C31H52N10O14 788.3665 NA PeJP NA NA +PJ035491 ASPPMMR C32H56N10O9S2 788.3673 NA PeJP NA NA +PJ035492 GPPTMMR C32H56N10O9S2 788.3674 NA PeJP NA NA +PJ035493 PNEHHR C32H48N14O10 788.3678 NA PeJP NA NA +PJ035494 GPLMWW C40H52N8O7S 788.368 NA PeJP NA NA +MJ094459 N-Deacyltunicamycin; N4''-(10-Methyl-2-undecenoyl) C35H56N4O16 788.369131 NA MeJP NA NA +PJ035495 PTKEEW C36H52N8O12 788.3705 NA PeJP NA NA +PJ035496 GSPCNRR C29H52N14O10S 788.3712 NA PeJP NA NA +PJ035497 PPKMMW C37H56N8O7S2 788.3714 NA PeJP NA NA +PJ035498 NQRWW C37H48N12O8 788.3718 NA PeJP NA NA +PJ035499 GGGARWW C37H48N12O8 788.3719 NA PeJP NA NA +PJ035500 GPVKEEM C33H56N8O12S 788.3739 NA PeJP NA NA +PJ035501 APLYYY C41H52N6O10 788.3745 NA PeJP NA NA +PJ035502 AQMHFR C34H52N12O8S 788.3752 NA PeJP NA NA +PJ035503 AEEERR C30H52N12O13 788.3777 NA PeJP NA NA +PJ035504 SLLMYY C38H56N6O10S 788.3779 NA PeJP NA NA +PJ035505 SKMMHR C31H56N12O8S2 788.3786 NA PeJP NA NA +PJ035506 GLEERW C35H52N10O11 788.3817 NA PeJP NA NA +PJ035507 GGGGVKEW C35H52N10O11 788.3818 NA PeJP NA NA +MJ094460 13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], ?-D-glucopyranosyl ester C38H60O17 788.38305 NA MeJP NA NA +MJ094461 Anatolioside B; 3''''-Ketone C38H60O17 788.38305 NA MeJP NA NA +PJ035508 GPHHRW C36H48N14O7 788.3831 NA PeJP NA NA +PJ035509 PKEEMR C32H56N10O11S 788.3851 NA PeJP NA NA +PJ035510 SPTLWW C40H52N8O9 788.3857 NA PeJP NA NA +PJ035511 GVLEWW C40H52N8O9 788.3858 NA PeJP NA NA +PJ035512 ACHFRR C33H52N14O7S 788.3865 NA PeJP NA NA +PJ035513 SNQERR C29H52N14O12 788.3889 NA PeJP NA NA +PJ035514 GGSQERR C29H52N14O12 788.389 NA PeJP NA NA +PJ035515 PVKEMW C37H56N8O9S 788.3891 NA PeJP NA NA +PJ035516 AALKEEE C33H56N8O14 788.3916 NA PeJP NA NA +PJ035517 SPPVKMM C34H60N8O9S2 788.3925 NA PeJP NA NA +PJ035518 GNKERW C34H52N12O10 788.393 NA PeJP NA NA +PJ035519 VVMFFF C42H56N6O7S 788.3932 NA PeJP NA NA +PJ035520 PTEMRR C31H56N12O10S 788.3963 NA PeJP NA NA +PJ035521 GGGSPKMR C31H56N12O10S 788.3964 NA PeJP NA NA +PJ035522 LERWW C39H52N10O8 788.397 NA PeJP NA NA +MJ094462 3,8,11,12,14,17-Hexahydroxypregn-5-en-20-one, 11-Benzoyl, 3-O-?-L-Diginpyranosyl-(1?4)-?-L-diginopyranoside C42H60O14 788.398306 NA MeJP NA NA +MJ094463 Cryptoporic acid G; 5'''?15-Lactone, dicarboxylic acid C42H60O14 788.398306 NA MeJP NA NA +PJ035523 SPLMRW C36H56N10O8S 788.4004 NA PeJP NA NA +PJ035524 VLWWW C44H52N8O6 788.401 NA PeJP NA NA +PJ035525 TTTTTKH C32H56N10O13 788.4028 NA PeJP NA NA +PJ035526 VKEEER C32H56N10O13 788.4029 NA PeJP NA NA +PJ035527 AAPLMMR C33H60N10O8S2 788.4037 NA PeJP NA NA +PJ035528 GSQRRW C33H52N14O9 788.4042 NA PeJP NA NA +PJ035529 VVKEEW C37H56N8O11 788.4069 NA PeJP NA NA +PJ035530 AQQMRR C30H56N14O9S 788.4076 NA PeJP NA NA +PJ035531 NKRWW C38H52N12O7 788.4082 NA PeJP NA NA +PJ035532 SPTLLQM C34H60N8O11S 788.4102 NA PeJP NA NA +PJ035533 APTLKEM C34H60N8O11S 788.4103 NA PeJP NA NA +PJ035534 ALLFYY C42H56N6O9 788.4109 NA PeJP NA NA +PJ035535 AKMHFR C35H56N12O7S 788.4116 NA PeJP NA NA +PJ035536 SLEERR C31H56N12O12 788.4141 NA PeJP NA NA +PJ035537 PVMMRR C32H60N12O7S2 788.415 NA PeJP NA NA +PJ035538 SPHHRR C32H52N16O8 788.4154 NA PeJP NA NA +PJ035539 SVLERW C36H56N10O10 788.4181 NA PeJP NA NA +PJ035540 GNMRRR C29H56N16O8S 788.4188 NA PeJP NA NA +MJ094464 Pregn-5-ene-3,16,20-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C39H64O16 788.419436 NA MeJP NA NA +PJ035541 LLQEMR C33H60N10O10S 788.4215 NA PeJP NA NA +PJ035542 ATLLWW C41H56N8O8 788.4221 NA PeJP NA NA +PJ035543 GGPLLFW C41H56N8O8 788.4222 NA PeJP NA NA +PJ035544 SNKERR C30H56N14O11 788.4253 NA PeJP NA NA +PJ035545 VLLQMW C38H60N8O8S 788.4255 NA PeJP NA NA +PJ035546 GTLLKEE C34H60N8O13 788.428 NA PeJP NA NA +PJ035547 GPLLKMM C35H64N8O8S2 788.4289 NA PeJP NA NA +PJ035548 GDKKRW C35H56N12O9 788.4294 NA PeJP NA NA +PJ035549 VVEMRR C32H60N12O9S 788.4327 NA PeJP NA NA +PJ035550 AAKKWW C40H56N10O7 788.4334 NA PeJP NA NA +PJ035551 SSQRRR C29H56N16O10 788.4366 NA PeJP NA NA +PJ035552 ALLMRW C37H60N10O7S 788.4368 NA PeJP NA NA +PJ035553 GTTLLER C33H60N10O12 788.4392 NA PeJP NA NA +PJ035554 QKKKEE C33H60N10O12 788.4393 NA PeJP NA NA +PJ035555 GSKRRW C34H56N14O8 788.4406 NA PeJP NA NA +PJ035556 TLLKEW C38H60N8O10 788.4433 NA PeJP NA NA +PJ035557 AQKMRR C31H60N14O8S 788.444 NA PeJP NA NA +PJ035558 GVLLKEM C35H64N8O10S 788.4466 NA PeJP NA NA +PJ035559 AVVLKEM C35H64N8O10S 788.4467 NA PeJP NA NA +MJ094465 Bacchalejin 1; 19,19'-Diacetoxy C47H64O10 788.449948 NA MeJP NA NA +PJ035560 TQKKER C32H60N12O11 788.4505 NA PeJP NA NA +PJ035561 ALHHRR C33H56N16O7 788.4518 NA PeJP NA NA +PJ035562 TTLLRW C37H60N10O9 788.4545 NA PeJP NA NA +PJ035563 ACKRRR C30H60N16O7S 788.4552 NA PeJP NA NA +MJ094466 Cholestane-3,4,6,8,15,24-hexol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?3)-?-L-arabinofuranoside], 15-Ac C40H68O15 788.455821 NA MeJP NA NA +MJ094467 Ergost-22-ene-3,6,8,15,16,28-hexol, 28-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-galactofuranoside] C40H68O15 788.455821 NA MeJP NA NA +MJ094468 Furostane-1,3,22,26-tetrol, 3,26-Di-O-?-D-glucopyranoside, 22-Me ether C40H68O15 788.455821 NA MeJP NA NA +MJ094469 Lankamycin; 15-ketone, 4A-de-Ac C40H68O15 788.455821 NA MeJP NA NA +MJ094470 Stigmast-22-ene-3,4,6,8,15,16,29-heptol, 29-O-[?-L-Arabinopyranosyl-(1?4)-3-O-methyl-?-D-xylopyranoside] C40H68O15 788.455821 NA MeJP NA NA +PJ035564 LLKEMR C34H64N10O9S 788.4579 NA PeJP NA NA +PJ035565 PVLKFW C42H60N8O7 788.4585 NA PeJP NA NA +PJ035566 SDKKRR C31H60N14O10 788.4617 NA PeJP NA NA +PJ035567 VLLKMW C39H64N8O7S 788.4619 NA PeJP NA NA +PJ035568 SSLLLKE C35H64N8O12 788.4644 NA PeJP NA NA +PJ035569 ATKKRW C36H60N12O8 788.4657 NA PeJP NA NA +PJ035570 GGPKKFR C36H60N12O8 788.4658 NA PeJP NA NA +PJ035571 TLLMRR C33H64N12O8S 788.4691 NA PeJP NA NA +MJ094471 Okadaic acid; 7-Deoxy C44H68O12 788.471077 NA MeJP NA NA +PJ035572 SSKRRR C30H60N16O9 788.473 NA PeJP NA NA +PJ035573 SSTLLLR C34H64N10O11 788.4756 NA PeJP NA NA +PJ035574 VLKHHR C35H60N14O7 788.477 NA PeJP NA NA +PJ035575 GPVLLKY C39H64N8O9 788.4797 NA PeJP NA NA +PJ035576 AKKMRR C32H64N14O7S 788.4804 NA PeJP NA NA +PJ035577 ATLLLKM C36H68N8O9S 788.483 NA PeJP NA NA +PJ035578 TKKKER C33H64N12O10 788.4869 NA PeJP NA NA +PJ035579 SLKKKW C38H64N10O8 788.4909 NA PeJP NA NA +MJ094472 5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 14,15-Didehydro, 13-O-(4-O-methyl-?-D-mannopyranoside), D-arabinitol-1-yl ester C41H72O14 788.492207 NA MeJP NA NA +MJ094473 Stigmastane-3,4,6,8,15,29-hexol, 29-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] C41H72O14 788.492207 NA MeJP NA NA +PJ035580 AALKKKM C35H68N10O8S 788.4943 NA PeJP NA NA +PJ035581 TTKKRR C32H64N14O9 788.4981 NA PeJP NA NA +PJ035582 TTTLLLK C36H68N8O11 788.5008 NA PeJP NA NA +PJ035583 VVLFRR C37H64N12O7 788.5021 NA PeJP NA NA +PJ035584 VKKKMR C34H68N12O7S 788.5055 NA PeJP NA NA +PJ035585 ATTLKKK C35H68N10O10 788.512 NA PeJP NA NA +PJ035586 GVLLLKF C40H68N8O8 788.516 NA PeJP NA NA +PJ035587 LLLKFR C39H68N10O7 788.5273 NA PeJP NA NA +MJ094474 44-Homooligomycin A; 12-Deoxy C46H76O10 788.543848 NA MeJP NA NA +EUR1083 SM(d18:1/18:1) [M-H+acetate]- C41H81N2O6P 788.604326 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1083 SM(d18:1/18:1) [M-H+acetate]- C41H81N2O6P 788.604326 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1083 SM(d18:1/18:1) [M-H+acetate]- C41H81N2O6P 788.604326 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1083 SM(d18:1/18:1) [M-H+acetate]- C41H81N2O6P 788.604326 masses lipides attendues Inhousejuil11 NA NA +HMDB12091 SM(d18:0/22:0) C45H93N2O6P 788.677124 NA HMDB2010 NA NA +EUR1144 SM(d18:0/22:0) monoisotopic mass C45H93N2O6P 788.677126 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1144 SM(d18:0/22:0) monoisotopic mass C45H93N2O6P 788.677126 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1144 SM(d18:0/22:0) monoisotopic mass C45H93N2O6P 788.677126 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1144 SM(d18:0/22:0) monoisotopic mass C45H93N2O6P 788.677126 masses lipides attendues Inhousejuil11 NA NA +HMDB07848 DG(24:1(15Z)/24:1(15Z)/0:0) C51H96O5 788.725769 NA HMDB2010 NA NA +MJ094475 1-Hexacosanol; Octacosanoyl C54H108O2 788.834932 NA MeJP NA NA +MJ094476 1-Triacontanol; Tetracosanoyl C54H108O2 788.834932 NA MeJP NA NA +MJ094477 Metrizamide C18H22I3N3O8 788.854094 NA MeJP NA NA +PJ035588 CCCCDDE C25H39N7O14S4 789.1438 NA PeJP NA NA +PJ035589 CCCCNNM C25H43N9O10S5 789.1737 NA PeJP NA NA +PJ035590 SCCCDEM C26H43N7O13S4 789.1802 NA PeJP NA NA +PJ035591 PCCCCMM C27H47N7O8S6 789.1811 NA PeJP NA NA +C16313 Delphinidin 3-glucoside 5-caffoyl-glucoside C36H37O20 789.1878 NA KEGG NA NA +FL7AAGGL0022 Bisdemalonylsalviadelphin C36H37O20 789.18781 128508-47-4 knapsack NA NA +PJ035592 GSSCCCCQ C25H43N9O12S4 789.1914 NA PeJP NA NA +PJ035593 GCCDDDY C29H39N7O15S2 789.1946 NA PeJP NA NA +PJ035594 PCCCCDF C30H43N7O10S4 789.1955 NA PeJP NA NA +PJ035595 GCCDMMM C27H47N7O10S5 789.1988 NA PeJP NA NA +C08640 Delphinidin 3,3',5'-tri-O-glucoside C33H41O22 789.2089 NA KEGG NA NA +C16314 Delphinidin 3,5,3'-triglucoside C33H41O22 789.2089 NA KEGG NA NA +FL7AAGGL0011 Delphinidin 3-sophoroside-5-glucoside C33H41O22 789.20894 36547-37-2 knapsack NA NA +FL7AAGGL0014 Delphinidin 3,7,3'-triglucoside C33H41O22 789.20894 64963-58-2 knapsack NA NA +PJ035596 SSSSCCCN C25H43N9O14S3 789.2092 NA PeJP NA NA +PJ035597 CCCCCQK C26H47N9O9S5 789.2101 NA PeJP NA NA +PJ035598 SPCCCDY C30H43N7O12S3 789.2132 NA PeJP NA NA +PJ035599 SSCCEMM C27H47N7O12S4 789.2166 NA PeJP NA NA +MJ094478 Storniamide D C42H35N3O13 789.216988 NA MeJP NA NA +PJ035600 GCCCMHH C28H43N11O8S4 789.2179 NA PeJP NA NA +PJ035601 GCDDDEH C28H39N9O16S 789.2236 NA PeJP NA NA +PJ035602 GCCCNQY C29H43N9O11S3 789.2244 NA PeJP NA NA +PJ035603 GGGCCCQY C29H43N9O11S3 789.2245 NA PeJP NA NA +PJ035604 GSSCCCCK C26H47N9O11S4 789.2278 NA PeJP NA NA +PJ035605 CCCEFW C34H43N7O9S3 789.2285 NA PeJP NA NA +PJ035606 GSCDDMY C30H43N7O14S2 789.231 NA PeJP NA NA +PJ035607 APCCCMY C31H47N7O9S4 789.2318 NA PeJP NA NA +PJ035608 GSCMMMM C28H51N7O9S5 789.2352 NA PeJP NA NA +PJ035609 STCCCHH C28H43N11O10S3 789.2357 NA PeJP NA NA +PJ035610 CDDDHW C32H39N9O13S 789.2388 NA PeJP NA NA +PJ035611 SSDDDDH C28H39N9O18 789.2413 NA PeJP NA NA +PJ035612 SSCCNNY C29H43N9O13S2 789.2422 NA PeJP NA NA +PJ035613 PPCCCMH C30H47N9O8S4 789.2431 NA PeJP NA NA +PJ035614 SCCEYW C34H43N7O11S2 789.2462 NA PeJP NA NA +PJ035615 CCCCCKK C27H51N9O8S5 789.2465 NA PeJP NA NA +PJ035616 SSSCDEY C30H43N7O16S 789.2487 NA PeJP NA NA +PJ035617 CNEMMY C31H47N7O11S3 789.2496 NA PeJP NA NA +PJ035618 SSTCMMM C28H51N7O11S4 789.253 NA PeJP NA NA +PJ035619 GCNNDMH C28H43N11O12S2 789.2534 NA PeJP NA NA +PJ035620 GGGCNDMH C28H43N11O12S2 789.2535 NA PeJP NA NA +PJ035621 GSDDEMH C29H43N9O15S 789.26 NA PeJP NA NA +PJ035622 CCDMRY C30H47N9O10S3 789.2608 NA PeJP NA NA +PJ035623 GGGPPPCCC C30H47N9O10S3 789.2609 NA PeJP NA NA +PJ035624 CNDEFY C34H43N7O13S 789.264 NA PeJP NA NA +PJ035625 GCMMYW C35H47N7O8S3 789.2649 NA PeJP NA NA +PJ035626 GPDDEEE C30H43N7O18 789.2665 NA PeJP NA NA +PJ035627 ATTCCEY C31H47N7O13S2 789.2673 NA PeJP NA NA +PJ035628 GSSDMMY C31H47N7O13S2 789.2674 NA PeJP NA NA +PJ035629 CQMMMF C32H51N7O8S4 789.2682 NA PeJP NA NA +PJ035630 CCNQHW C32H43N11O9S2 789.2687 NA PeJP NA NA +MetaCyc04142 5-methyl-tetrahydromethanopterin [5-methyl-5,6,7,8-tetrahydromethanopterin;N5-methyl-5,6,7,8-tetrahydromethanopterin;5-methyl-H4MPT;methyl-H4MPT;5-methyl-THMPT;] C31H46N6O16P1 789.270791 NA metacyc NA NA +PJ035631 SSCNNEH C28H43N11O14S 789.2712 NA PeJP NA NA +PJ035632 SDDMHW C33H43N9O12S 789.2752 NA PeJP NA NA +PJ035633 SSSDEEH C29H43N9O17 789.2777 NA PeJP NA NA +PJ035634 NEEMMH C30H47N9O12S2 789.2786 NA PeJP NA NA +PJ035635 GCDFYW C38H43N7O10S 789.2792 NA PeJP NA NA +PJ035636 CCMMFR C31H51N9O7S4 789.2795 NA PeJP NA NA +PJ035637 GPCCHHH C31H43N13O8S2 789.2799 NA PeJP NA NA +PJ035638 SNDEYY C34H43N7O15 789.2817 NA PeJP NA NA +PJ035639 PDDEEW C34H43N7O15 789.2818 NA PeJP NA NA +PJ035640 STCMYW C35H47N7O10S2 789.2826 NA PeJP NA NA +MJ094479 Perdeacylalatusamine; 1,2,6,8,9,14-Hexa-Ac C38H47NO17 789.284399 NA MeJP NA NA +MJ094480 Perdeacylchuchuhuanine; 1,2,6,8,9,14-Hexa-Ac C38H47NO17 789.284399 NA MeJP NA NA +MJ094481 Perdeacylchuchuhuanine; 8-Epimer, 1,2,6,8,9,14-hexa-Ac C38H47NO17 789.284399 NA MeJP NA NA +PJ035641 SSSSEMY C31H47N7O15S 789.2851 NA PeJP NA NA +PJ035642 SQMMMY C32H51N7O10S3 789.286 NA PeJP NA NA +PJ035643 GSSCHHY C32H43N11O11S 789.2864 NA PeJP NA NA +PJ035644 GSSCNHW C32H43N11O11S 789.2865 NA PeJP NA NA +PJ035645 GNNNDQE C28H43N11O16 789.2889 NA PeJP NA NA +PJ035646 GSSSSNDH C28H43N11O16 789.289 NA PeJP NA NA +PJ035647 CDEMHR C29H47N11O11S2 789.2898 NA PeJP NA NA +PJ035648 GSPNDDW C33H43N9O14 789.293 NA PeJP NA NA +PJ035649 APPCCNW C34H47N9O9S2 789.2938 NA PeJP NA NA +PJ035650 GEMMHW C34H47N9O9S2 789.2939 NA PeJP NA NA +PJ035651 ASTDEMH C30H47N9O14S 789.2963 NA PeJP NA NA +PJ035652 GSTEEMH C30H47N9O14S 789.2964 NA PeJP NA NA +PJ035653 GSDYYW C38H43N7O12 789.297 NA PeJP NA NA +PJ035654 SCMMRY C31H51N9O9S3 789.2972 NA PeJP NA NA +PJ035655 NDMHHH C31H43N13O10S 789.2977 NA PeJP NA NA +PJ035656 GCMFFW C39H47N7O7S2 789.2979 NA PeJP NA NA +PJ035657 SNNNNNN C27H43N13O15 789.3002 NA PeJP NA NA +PJ035658 GQEMYY C35H47N7O12S 789.3004 NA PeJP NA NA +PJ035659 GSCCQHR C28H47N13O10S2 789.3011 NA PeJP NA NA +PJ035660 GPTEEEE C31H47N7O17 789.3029 NA PeJP NA NA +PJ035661 GSTTMMY C32H51N7O12S2 789.3037 NA PeJP NA NA +PJ035662 GPPEEMM C32H51N7O12S2 789.3038 NA PeJP NA NA +PJ035663 NNNNEW C32H43N11O13 789.3042 NA PeJP NA NA +PJ035664 CKMMMF C33H55N7O7S4 789.3046 NA PeJP NA NA +PJ035665 CCNKHW C33H47N11O8S2 789.3051 NA PeJP NA NA +PJ035666 GPCNDER C29H47N11O13S 789.3076 NA PeJP NA NA +PJ035667 GDEHFW C37H43N9O11 789.3082 NA PeJP NA NA +PJ035668 MMHWW C38H47N9O6S2 789.3091 NA PeJP NA NA +PJ035669 STEMHW C34H47N9O11S 789.3116 NA PeJP NA NA +PJ035670 ACHHHW C35H43N13O7S 789.313 NA PeJP NA NA +PJ035671 SSTTEEH C30H47N9O16 789.3141 NA PeJP NA NA +PJ035672 DKEMMH C31H51N9O11S2 789.315 NA PeJP NA NA +PJ035673 GSSEHHH C31H43N13O12 789.3154 NA PeJP NA NA +PJ035674 GPNNDHH C31H43N13O12 789.3155 NA PeJP NA NA +PJ035675 QMYYW C39H47N7O9S 789.3156 NA PeJP NA NA +PJ035676 PTEEEW C35H47N7O14 789.3181 NA PeJP NA NA +PJ035677 SSSCNHR C28H47N13O12S 789.3188 NA PeJP NA NA +PJ035678 PPEMMW C36H51N7O9S2 789.319 NA PeJP NA NA +PJ035679 GNNNWW C36H43N11O10 789.3195 NA PeJP NA NA +MJ094482 Antibiotic YL 01641P-B2; 4-Me ether, 9-Ac C39H51NO16 789.320784 NA MeJP NA NA +PJ035680 SSTTTMY C32H51N7O14S 789.3215 NA PeJP NA NA +PJ035681 SKMMMY C33H55N7O9S3 789.3224 NA PeJP NA NA +PJ035682 PCNDRW C33H47N11O10S 789.3228 NA PeJP NA NA +PJ035683 GGPCDRW C33H47N11O10S 789.3229 NA PeJP NA NA +PJ035684 DHFWW C41H43N9O8 789.3235 NA PeJP NA NA +PJ035685 NNEEER C29H47N11O15 789.3253 NA PeJP NA NA +PJ035686 GGNEEER C29H47N11O15 789.3254 NA PeJP NA NA +PJ035687 SEMMHR C30H51N11O10S2 789.3262 NA PeJP NA NA +PJ035688 CRYYW C38H47N9O8S 789.3268 NA PeJP NA NA +PJ035689 GPNMWW C38H47N9O8S 789.3269 NA PeJP NA NA +PJ035690 AQQEEW C34H47N9O13 789.3294 NA PeJP NA NA +PJ035691 SVMMHW C35H51N9O8S2 789.3302 NA PeJP NA NA +PJ035692 SSHHHW C35H43N13O9 789.3307 NA PeJP NA NA +PJ035693 PEEEMR C31H51N9O13S 789.3327 NA PeJP NA NA +PJ035694 GGGPDKEM C31H51N9O13S 789.3328 NA PeJP NA NA +MJ094483 Amonabactin T 789 C39H47N7O11 789.333355 NA MeJP NA NA +PJ035695 GTTYYW C39H47N7O11 789.3334 NA PeJP NA NA +PJ035696 LQMMMH C32H55N9O8S3 789.3336 NA PeJP NA NA +PJ035697 CNNHFR C32H47N13O9S 789.3341 NA PeJP NA NA +MJ094484 Taxol?; N-Debenzoyl, N-tigloyl, 10-de-Ac C43H51NO13 789.33604 NA MeJP NA NA +PJ035698 NDDDRR C28H47N13O14 789.3366 NA PeJP NA NA +PJ035699 ADKMYY C36H51N7O11S 789.3367 NA PeJP NA NA +PJ035700 PVEEMW C36H51N7O11S 789.3368 NA PeJP NA NA +PJ035701 GSCCKHR C29H51N13O9S2 789.3375 NA PeJP NA NA +PJ035702 AALEEEE C32H51N7O16 789.3393 NA PeJP NA NA +PJ035703 SPPVEMM C33H55N7O11S2 789.3401 NA PeJP NA NA +PJ035704 GNEERW C33H47N11O12 789.3406 NA PeJP NA NA +PJ035705 PCMHFR C34H51N11O7S2 789.3415 NA PeJP NA NA +PJ035706 GSPNEMR C30H51N11O12S 789.344 NA PeJP NA NA +PJ035707 AAQEWW C38H47N9O10 789.3446 NA PeJP NA NA +PJ035708 CLMMHR C31H55N11O7S3 789.3448 NA PeJP NA NA +PJ035709 TCHHHR C31H47N15O8S 789.3453 NA PeJP NA NA +PJ035710 PNDKMW C35H51N9O10S 789.348 NA PeJP NA NA +PJ035711 QFFYW C43H47N7O8 789.3486 NA PeJP NA NA +PJ035712 VEEEER C31H51N9O15 789.3505 NA PeJP NA NA +PJ035713 GTTLMMH C32H55N9O10S2 789.3514 NA PeJP NA NA +PJ035714 SNNNRW C32H47N13O11 789.3518 NA PeJP NA NA +PJ035715 GGGGGGSRW C32H47N13O11 789.3519 NA PeJP NA NA +PJ035716 KMYYW C40H51N7O8S 789.352 NA PeJP NA NA +3038 insulin secretion inhibitor IEYNVEHAVDYVE 789.3524 MH2+ Inhouse_peptide NA peptide +PJ035717 VVEEEW C36H51N7O13 789.3545 NA PeJP NA NA +PJ035718 GSPCDRR C29H51N13O11S 789.3552 NA PeJP NA NA +PJ035719 AKMMFY C37H55N7O8S2 789.3554 NA PeJP NA NA +PJ035720 NERWW C37H47N11O9 789.3558 NA PeJP NA NA +PJ035721 GGERWW C37H47N11O9 789.3559 NA PeJP NA NA +PJ035722 APTLEEM C33H55N7O13S 789.3579 NA PeJP NA NA +PJ035723 APPLMMM C34H59N7O8S3 789.3588 NA PeJP NA NA +PJ035724 SPNMRW C34H51N11O9S 789.3592 NA PeJP NA NA +PJ035725 VNWWW C42H47N9O7 789.3599 NA PeJP NA NA +PJ035726 NDKEER C30H51N11O14 789.3617 NA PeJP NA NA +PJ035727 GGGGGDDKK C30H51N11O14 789.3618 NA PeJP NA NA +PJ035728 PQQMMR C31H55N11O9S2 789.3626 NA PeJP NA NA +PJ035729 APCKWW C39H51N9O7S 789.3632 NA PeJP NA NA +PJ035730 GLMHFW C39H51N9O7S 789.3633 NA PeJP NA NA +PJ035731 AQKEEW C35H51N9O12 789.3657 NA PeJP NA NA +PJ035732 GAAKEEW C35H51N9O12 789.3658 NA PeJP NA NA +PJ035733 CNNQRR C28H51N15O10S 789.3664 NA PeJP NA NA +PJ035734 GGGGCQRR C28H51N15O10S 789.3665 NA PeJP NA NA +PJ035735 PKMMHF C36H55N9O7S2 789.3666 NA PeJP NA NA +PJ035736 VNHHHF C36H47N13O8 789.3671 NA PeJP NA NA +PJ035737 STTTLMH C32H55N9O12S 789.3691 NA PeJP NA NA +PJ035738 PPVEYW C40H51N7O10 789.3698 NA PeJP NA NA +PJ035739 LKMMMH C33H59N9O7S3 789.37 NA PeJP NA NA +PJ035740 TKMHHH C33H51N13O8S 789.3705 NA PeJP NA NA +PJ035741 GRWWW C41H47N11O6 789.3711 NA PeJP NA NA +PJ035742 GSSQQQR C29H51N13O13 789.3729 NA PeJP NA NA +PJ035743 SNEERR C29H51N13O13 789.373 NA PeJP NA NA +PJ035744 SVKMYY C37H55N7O10S 789.3731 NA PeJP NA NA +PJ035745 PPVVCEF C37H55N7O10S 789.3732 NA PeJP NA NA +PJ035746 PCQMRR C30H55N13O8S2 789.3738 NA PeJP NA NA +PJ035747 GTLLEEE C33H55N7O15 789.3756 NA PeJP NA NA +PJ035748 GPLLEMM C34H59N7O10S2 789.3765 NA PeJP NA NA +PJ035749 GDKERW C34H51N11O11 789.377 NA PeJP NA NA +PJ035750 GHHHFR C35H47N15O7 789.3783 NA PeJP NA NA +PJ035751 VQQEMR C31H55N11O11S 789.3803 NA PeJP NA NA +PJ035752 LNQEMR C31H55N11O11S 789.3804 NA PeJP NA NA +PJ035753 AAKEWW C39H51N9O9 789.381 NA PeJP NA NA +PJ035754 GSSNNRR C28H51N15O12 789.3842 NA PeJP NA NA +PJ035755 PTQKMW C36H55N9O9S 789.3844 NA PeJP NA NA +PJ035756 KFFYW C44H51N7O7 789.385 NA PeJP NA NA +PJ035757 PCCRRR C29H55N15O7S2 789.3851 NA PeJP NA NA +PJ035758 QKKEEE C32H55N9O14 789.3869 NA PeJP NA NA +PJ035759 SPPCKKM C33H59N9O9S2 789.3877 NA PeJP NA NA +PJ035760 GPVQKMM C33H59N9O9S2 789.3878 NA PeJP NA NA +PJ035761 GSERRW C33H51N13O10 789.3882 NA PeJP NA NA +PJ035762 PPLMFW C41H55N7O7S 789.3884 NA PeJP NA NA +PJ035763 TLLEEW C37H55N7O12 789.3909 NA PeJP NA NA +PJ035764 AQEMRR C30H55N13O10S 789.3916 NA PeJP NA NA +PJ035765 PLLMMW C38H59N7O7S2 789.3918 NA PeJP NA NA +3262 b-casomorphin-7 (60-66) YPFPGPI 789.392 ACE inhibitor Inhouse_peptide NA peptide +7665 ACE inhibitor from b-CN (60-66) YPFPGPI 789.392 antioxidative Inhouse_peptide NA peptide +PJ035766 DKRWW C38H51N11O8 789.3922 NA PeJP NA NA +PJ035767 GGAPFRW C38H51N11O8 789.3923 NA PeJP NA NA +PJ035768 GVLLEEM C34H59N7O12S 789.3943 NA PeJP NA NA +PJ035769 GLQMRW C35H55N11O8S 789.3956 NA PeJP NA NA +PJ035770 TQKEER C31H55N11O13 789.3981 NA PeJP NA NA +8155 ACE inhibitor from b-CN (125-131) LTLTDVE 789.3989 antibacterial Inhouse_peptide NA peptide +PJ035771 PQKMMR C32H59N11O8S2 789.399 NA PeJP NA NA +PJ035772 VNQHHR C32H51N15O9 789.3995 NA PeJP NA NA +PJ035773 AKKEEW C36H55N9O11 789.4021 NA PeJP NA NA +PJ035774 GGGGGPLLY C36H55N9O11 789.4022 NA PeJP NA NA +PJ035775 GDMRRR C29H55N15O9S 789.4028 NA PeJP NA NA +PJ035776 SRRWW C37H51N13O7 789.4035 NA PeJP NA NA +PJ035777 LLEEMR C33H59N9O11S 789.4055 NA PeJP NA NA +MJ094485 ?-Casomorphin C41H55N7O9 789.406126 NA MeJP NA NA +MJ094486 Phakellistatin 4 C41H55N7O9 789.406126 NA MeJP NA NA +PJ035778 PVLEFW C41H55N7O9 789.4062 NA PeJP NA NA +PJ035779 AAMRRW C34H55N13O7S 789.4069 NA PeJP NA NA +PJ035780 TTQERR C30H55N13O12 789.4093 NA PeJP NA NA +PJ035781 SDKERR C30H55N13O12 789.4094 NA PeJP NA NA +PJ035782 VLLEMW C38H59N7O9S 789.4095 NA PeJP NA NA +PJ035783 PCKMRR C31H59N13O7S2 789.4102 NA PeJP NA NA +PJ035784 GQHHRR C31H51N17O8 789.4107 NA PeJP NA NA +PJ035785 SSLLLEE C34H59N7O14 789.412 NA PeJP NA NA +PJ035786 SPVLLMM C35H63N7O9S2 789.4129 NA PeJP NA NA +PJ035787 ATKERW C35H55N11O10 789.4134 NA PeJP NA NA +PJ035788 VQKEMR C32H59N11O10S 789.4167 NA PeJP NA NA +PJ035789 GGLKEMR C32H59N11O10S 789.4168 NA PeJP NA NA +PJ035790 GTLKWW C40H55N9O8 789.4174 NA PeJP NA NA +PJ035791 SSERRR C29H55N15O11 789.4206 NA PeJP NA NA +PJ035792 PTKKMW C37H59N9O8S 789.4208 NA PeJP NA NA +PJ035793 STTLLQQ C33H59N9O13 789.4232 NA PeJP NA NA +PJ035794 KKKEEE C33H59N9O13 789.4233 NA PeJP NA NA +PJ035795 GPVKKMM C34H63N9O8S2 789.4241 NA PeJP NA NA +PJ035796 ATTRRW C34H55N13O9 789.4246 NA PeJP NA NA +PJ035797 GPVLLEY C38H59N7O11 789.4273 NA PeJP NA NA +PJ035798 AKEMRR C31H59N13O9S 789.428 NA PeJP NA NA +PJ035799 GPKFRW C39H55N11O7 789.4286 NA PeJP NA NA +PJ035800 ATLLLEM C35H63N7O11S 789.4307 NA PeJP NA NA +PJ035801 GLKMRW C36H59N11O7S 789.432 NA PeJP NA NA +PJ035802 TKKEER C32H59N11O12 789.4345 NA PeJP NA NA +PJ035803 PKKMMR C33H63N11O7S2 789.4354 NA PeJP NA NA +PJ035804 PPQHRR C33H55N15O8 789.4358 NA PeJP NA NA +PJ035805 GAPPHRR C33H55N15O8 789.4359 NA PeJP NA NA +PJ035806 SLKKEW C37H59N9O10 789.4385 NA PeJP NA NA +PJ035807 ATMRRR C30H59N15O8S 789.4392 NA PeJP NA NA +PJ035808 AALKKEM C34H63N9O10S 789.4419 NA PeJP NA NA +PJ035809 PVLLYW C42H59N7O8 789.4425 NA PeJP NA NA +PJ035810 GPPLLFF C42H59N7O8 789.4426 NA PeJP NA NA +PJ035811 TTKERR C31H59N13O11 789.4457 NA PeJP NA NA +PJ035812 GPLLLMF C39H63N7O8S 789.4459 NA PeJP NA NA +PJ035813 GKHHRR C32H55N17O7 789.4471 NA PeJP NA NA +PJ035814 TTTLLLE C35H63N7O13 789.4484 NA PeJP NA NA +PJ035815 GLLLLMM C36H67N7O8S2 789.4493 NA PeJP NA NA +PJ035816 SNKKKW C36H59N11O9 789.4497 NA PeJP NA NA +PJ035817 STLKRW C36H59N11O9 789.4498 NA PeJP NA NA +PJ035818 VKKEMR C33H63N11O9S 789.4531 NA PeJP NA NA +PJ035819 VLKHFF C41H59N9O7 789.4538 NA PeJP NA NA +PJ035820 TTTRRR C30H59N15O10 789.457 NA PeJP NA NA +PJ035821 VVKKMW C38H63N9O7S 789.4572 NA PeJP NA NA +PJ035822 ATTLKKE C34H63N9O12 789.4596 NA PeJP NA NA +PJ035823 VVTTDKK C34H63N9O12 789.4597 NA PeJP NA NA +PJ035824 APKRRY C35H59N13O8 789.461 NA PeJP NA NA +PJ035825 APTLLLY C39H63N7O10 789.4637 NA PeJP NA NA +PJ035826 SLKMRR C32H63N13O8S 789.4644 NA PeJP NA NA +MJ094487 Antibiotic FR 900525 C43H67NO12 789.466326 NA MeJP NA NA +MJ094488 Antibiotic FR 901429 C43H67NO12 789.466326 NA MeJP NA NA +MJ094489 Fujimycin; 31-O-De-Me C43H67NO12 789.466326 NA MeJP NA NA +PJ035827 STLLLLM C36H67N7O10S 789.467 NA PeJP NA NA +PJ035828 SSSLLKR C33H63N11O11 789.4709 NA PeJP NA NA +PJ035829 GVFRRR C34H59N15O7 789.4722 NA PeJP NA NA +PJ035830 AAPLKKY C38H63N9O9 789.4749 NA PeJP NA NA +PJ035831 GTLLKKM C35H67N9O9S 789.4783 NA PeJP NA NA +PJ035832 VLLLFW C43H63N7O7 789.4789 NA PeJP NA NA +PJ035833 GSSKKKR C32H63N13O10 789.4821 NA PeJP NA NA +PJ035834 FRRRR C33H59N17O6 789.4835 NA PeJP NA NA +PJ035835 PVKKRY C37H63N11O8 789.4861 NA PeJP NA NA +MJ094490 Erythromycin; 2'-Propanoyl C40H71NO14 789.487455 NA MeJP NA NA +PJ035836 QKKKKM C34H67N11O8S 789.4895 NA PeJP NA NA +PJ035837 STTLLKK C35H67N9O11 789.496 NA PeJP NA NA +PJ035838 ALKFRR C36H63N13O7 789.4974 NA PeJP NA NA +MJ094491 Enterococcus faecalis Sex pheromone cCF10 C40H67N7O9 789.500026 NA MeJP NA NA +MJ094492 Enterococcus faecalis Sex pheromone inhibitor iCF10 C40H67N7O9 789.500026 NA MeJP NA NA +PJ035839 GVLLLLY C40H67N7O9 789.5001 NA PeJP NA NA +PJ035840 CKKKKR C33H67N13O7S 789.5007 NA PeJP NA NA +PJ035841 GTTKKKK C34H67N11O10 789.5073 NA PeJP NA NA +PJ035842 LLLLRY C39H67N9O8 789.5113 NA PeJP NA NA +PJ035843 VLKKFR C38H67N11O7 789.5225 NA PeJP NA NA +PJ035844 KKKKKM C35H71N11O7S 789.5259 NA PeJP NA NA +EUR1011 PC 38:7 [M-H-CH3]- C46H78NO8P 789.530857 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1011 PC 38:7 [M-H-CH3]- C46H78NO8P 789.530857 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1011 PC 38:7 [M-H-CH3]- C46H78NO8P 789.530857 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1011 PC 38:7 [M-H-CH3]- C46H78NO8P 789.530857 masses lipides attendues Inhousejuil11 NA NA +HMDB09045 PE(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09078 PE(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09109 PE(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09110 PE(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09141 PE(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09174 PE(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09302 PE(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09333 PE(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09334 PE(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09366 PE(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09367 PE(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09397 PE(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09398 PE(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09430 PE(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09431 PE(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09462 PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09589 PE(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09590 PE(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09621 PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09654 PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09685 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +HMDB09686 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) C45H76NO8P 789.530884 NA HMDB2010 NA NA +EUR938 PC 32:2 [M-H+acetate]- C40H76NO8P 789.551957 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR938 PC 32:2 [M-H+acetate]- C40H76NO8P 789.551957 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR938 PC 32:2 [M-H+acetate]- C40H76NO8P 789.551957 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR938 PC 32:2 [M-H+acetate]- C40H76NO8P 789.551957 masses lipides attendues Inhousejuil11 NA NA +HMDB10163 PS(18:0/18:1(9Z)) C42H80NO10P 789.552002 NA HMDB2010 NA NA +HMDB12389 PS(18:1(9Z)/18:0) C42H80NO10P 789.552002 NA HMDB2010 NA NA +HMDB08523 PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(11Z)) C46H80NO7P 789.567261 NA HMDB2010 NA NA +HMDB08524 PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(9Z)) C46H80NO7P 789.567261 NA HMDB2010 NA NA +HMDB08751 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-16:0) C46H80NO7P 789.567261 NA HMDB2010 NA NA +HMDB11229 PC(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H80NO7P 789.567261 NA HMDB2010 NA NA +HMDB11288 PC(P-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C46H80NO7P 789.567261 NA HMDB2010 NA NA +HMDB11321 PC(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C46H80NO7P 789.567261 NA HMDB2010 NA NA +HMDB07886 PC(14:0/22:0) C44H88NO8P 789.624756 NA HMDB2010 NA NA +HMDB07977 PC(16:0/20:0) C44H88NO8P 789.624756 NA HMDB2010 NA NA +HMDB08036 PC(18:0/18:0) C44H88NO8P 789.624756 NA HMDB2010 NA NA +HMDB08265 PC(20:0/16:0) C44H88NO8P 789.624756 NA HMDB2010 NA NA +HMDB08525 PC(22:0/14:0) C44H88NO8P 789.624756 NA HMDB2010 NA NA +HMDB08914 PE(15:0/24:0) C44H88NO8P 789.624756 NA HMDB2010 NA NA +HMDB09714 PE(24:0/15:0) C44H88NO8P 789.624756 NA HMDB2010 NA NA +MJ094493 2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxydocosanoyl), 1-O-?-D-galactopyranoside C44H87NO10 789.632998 NA MeJP NA NA +MJ094494 2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxydocosanoyl), 1-O-?-D-glucopyranoside C44H87NO10 789.632998 NA MeJP NA NA +MJ094495 Acanthacerebroside B C44H87NO10 789.632998 NA MeJP NA NA +MJ094496 Sulfobromophthalein C20H10Br4O10S2 789.644888 NA MeJP NA NA +C11363 Sulfobromophthalein C20H10Br4O10S2 789.6449 NA KEGG NA NA +C06198 P1,P4-Bis(5'-uridyl) tetraphosphate C18H26N4O23P4 789.9938 NA KEGG NA NA +MJ094497 P1,P4-Bis(5'-uridyl) tetraphosphate C18H26N4O23P4 789.993829 NA MeJP NA NA +MJ094498 Uridine 5'-(pentahydrogen tetraphosphate) P'''-5'-ester with uridine C18H26N4O23P4 789.993829 NA MeJP NA NA +HMDB06796 P1,P4-Bis(5'-uridyl) tetraphosphate C18H26N4O23P4 789.993835 NA HMDB2010 NA NA +HMDB06796 P1,P4-Bis(5'-uridyl) tetraphosphate C18H26N4O23P4 789.99384 http://www.hmdb.ca/metabolites/HMDB06796 HMDB NA NA +HMDB06796 P1,P4-Bis(5'-uridyl) tetraphosphate C18H26N4O23P4 789.99384 HMDB06796 PFEM_hmdb_metabocards_official NA NA +3865 vespa-like peptide from V, Orientalis FLPLILGKLVKGLLG 790.0135 MH2+ Inhouse_peptide NA peptide +PJ035845 GPCCCCCC C25H42N8O9S6 790.1399 NA PeJP NA NA +PJ035846 CCCCNDM C25H42N8O11S5 790.1577 NA PeJP NA NA +PJ035847 ACCCCCW C29H42N8O8S5 790.1729 NA PeJP NA NA +PJ035848 GSSCCCCE C25H42N8O13S4 790.1755 NA PeJP NA NA +PJ035849 SSCCCCW C29H42N8O10S4 790.1907 NA PeJP NA NA +PJ035850 SSSSCCCD C25H42N8O15S3 790.1932 NA PeJP NA NA +PJ035851 SCCCNMM C26H46N8O10S5 790.1941 NA PeJP NA NA +PJ035852 TCCCCCR C25H46N10O9S5 790.2053 NA PeJP NA NA +PJ035853 GCCCNEY C29H42N8O12S3 790.2085 NA PeJP NA NA +PJ035854 GSSTCCCM C26H46N8O12S4 790.2118 NA PeJP NA NA +PJ035855 PCCCNDH C28H42N10O11S3 790.2197 NA PeJP NA NA +PJ035856 CCCNYW C33H42N8O9S3 790.2237 NA PeJP NA NA +MJ094499 Antibiotic MA 144E1 C44H38O14 790.226155 NA MeJP NA NA +MJ094500 Phleichrome; 14,21-Diepimer, 14,21-bis-O-(4-hydroxybenzoyl) C44H38O14 790.226155 NA MeJP NA NA +MJ094501 Phleichrome; 14,21-Diepimer, 21-O-(4-hydroxyphenoxycarbonyl), 14-benzoyl C44H38O14 790.226155 NA MeJP NA NA +PJ035857 SSCCNDY C29H42N8O14S2 790.2262 NA PeJP NA NA +PJ035858 GCCCQMF C30H46N8O9S4 790.2271 NA PeJP NA NA +PJ035859 SSSSSCCM C26H46N8O14S3 790.2296 NA PeJP NA NA +PJ035860 TCCCCKM C27H50N8O9S5 790.2305 NA PeJP NA NA +PJ035861 CDEMMY C31H46N6O12S3 790.2336 NA PeJP NA NA +PJ035862 GCNDDMH C28H42N10O13S2 790.2375 NA PeJP NA NA +PJ035863 GCCCCFR C29H46N10O8S4 790.2383 NA PeJP NA NA +MJ094502 7,8-Dihydromethanopterin C30H43N6O17P 790.24223 NA MeJP NA NA +PJ035864 GSCCQMY C30H46N8O11S3 790.2448 NA PeJP NA NA +PJ035865 GGGTCCMY C30H46N8O11S3 790.2449 NA PeJP NA NA +PJ035866 CDDEFY C34H42N6O14S 790.248 NA PeJP NA NA +PJ035867 SCCNNNH C27H42N12O12S2 790.2487 NA PeJP NA NA +PJ035868 CEMMMF C32H50N6O9S4 790.2522 NA PeJP NA NA +PJ035869 CCNEHW C32H42N10O10S2 790.2527 NA PeJP NA NA +PJ035870 SSCNDEH C28H42N10O15S 790.2552 NA PeJP NA NA +PJ035871 GSCCCRY C29H46N10O10S3 790.2561 NA PeJP NA NA +PJ035872 CNNDYY C33H42N8O13S 790.2592 NA PeJP NA NA +PJ035873 SPNDDDE C29H42N8O18 790.2617 NA PeJP NA NA +PJ035874 GGPTDDDD C29H42N8O18 790.2618 NA PeJP NA NA +PJ035875 SSSCNMY C30H46N8O13S2 790.2626 NA PeJP NA NA +PJ035876 GCCCKMF C31H50N8O8S4 790.2635 NA PeJP NA NA +PJ035877 SDDEYY C34H42N6O16 790.2657 NA PeJP NA NA +PJ035878 TDDDYY C34H42N6O16 790.2658 NA PeJP NA NA +PJ035879 PCDMYY C35H46N6O11S2 790.2666 NA PeJP NA NA +PJ035880 GCCHWW C36H42N10O7S2 790.268 NA PeJP NA NA +MJ094503 Fraxuhdoside C38H46O18 790.268414 NA MeJP NA NA +MJ094504 Uhdoside A; 2'-O-?-D-Glucopyranosyl C38H46O18 790.268414 NA MeJP NA NA +MJ094505 Uhdoside A; 3'-O-?-D-Glucopyranosyl C38H46O18 790.268414 NA MeJP NA NA +MJ094506 Uhdoside A; 6'''-O-?-D-Glucopyranoside C38H46O18 790.268414 NA MeJP NA NA +PJ035881 SEMMMY C32H50N6O11S3 790.27 NA PeJP NA NA +PJ035882 GSSCDHW C32H42N10O12S 790.2705 NA PeJP NA NA +PJ035883 GSSSSDDH C28H42N10O17 790.273 NA PeJP NA NA +PJ035884 GSNDMMH C29H46N10O12S2 790.2738 NA PeJP NA NA +PJ035885 GGGSDMMH C29H46N10O12S2 790.2739 NA PeJP NA NA +PJ035886 GSPDDDW C33H42N8O15 790.277 NA PeJP NA NA +PJ035887 GPPCCEW C34H46N8O10S2 790.2779 NA PeJP NA NA +C04488 5-Methyl-5,6,7,8-tetrahydromethanopterin C31H47N6O16P 790.2786 NA KEGG NA NA +PJ035888 GSSSSTCY C30H46N8O15S 790.2804 NA PeJP NA NA +PJ035889 GSCCKMY C31H50N8O10S3 790.2812 NA PeJP NA NA +PJ035890 DDMHHH C31H42N12O11S 790.2817 NA PeJP NA NA +PJ035891 SNNNNND C27H42N12O16 790.2842 NA PeJP NA NA +PJ035892 GEEMYY C35H46N6O13S 790.2844 NA PeJP NA NA +PJ035893 GSCCEHR C28H46N12O11S2 790.2851 NA PeJP NA NA +PJ035894 PCMMFY C36H50N6O8S3 790.2853 NA PeJP NA NA +PJ035895 NNNDEW C32H42N10O14 790.2882 NA PeJP NA NA +PJ035896 CLMMMY C33H54N6O8S4 790.2886 NA PeJP NA NA +PJ035897 SCQMHW C33H46N10O9S2 790.2891 NA PeJP NA NA +MJ094507 Laciniatoside V; 1'-O-?-D-Glucopyranoside, 7-Ac C35H50O20 790.289544 NA MeJP NA NA +MJ094508 Cephabacin F; Cephabacin F4, N27-L-Seryl C29H46N10O14S 790.291566 NA MeJP NA NA +PJ035898 GPCDDER C29H46N10O14S 790.2916 NA PeJP NA NA +PJ035899 NQMMMH C30H50N10O9S3 790.2925 NA PeJP NA NA +PJ035900 GSCNHHH C30H42N14O10S 790.2929 NA PeJP NA NA +PJ035901 GGGSCHHH C30H42N14O10S 790.293 NA PeJP NA NA +PJ035902 PPCCWW C38H46N8O7S2 790.2931 NA PeJP NA NA +MJ094509 Cyclomyrsinol; 8,14-Bis(3-pyridinecarbonyl), 3-propanoyl, 5,10,15-tri-Ac C41H46N2O14 790.294904 NA MeJP NA NA +PJ035903 PNDEMW C34H46N8O12S 790.2956 NA PeJP NA NA +PJ035904 SSSSSSSY C30H46N8O17 790.2981 NA PeJP NA NA +PJ035905 SSTCCKY C31H50N8O12S2 790.299 NA PeJP NA NA +PJ035906 GPNDDHH C31H42N12O13 790.2995 NA PeJP NA NA +PJ035907 EMYYW C39H46N6O10S 790.2996 NA PeJP NA NA +PJ035908 SCCHRW C32H46N12O8S2 790.3003 NA PeJP NA NA +PJ035909 STEEYY C35H46N6O15 790.3021 NA PeJP NA NA +PJ035910 SSSCDHR C28H46N12O13S 790.3028 NA PeJP NA NA +PJ035911 GGGGGGGNQM C28H46N12O13S 790.3029 NA PeJP NA NA +PJ035912 SPMMYY C36H50N6O10S2 790.303 NA PeJP NA NA +PJ035913 GNNDWW C36H42N10O11 790.3035 NA PeJP NA NA +PJ035914 CNMMHR C29H50N12O8S3 790.3037 NA PeJP NA NA +MJ094510 3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,3',5,5'-Tetra-Me ether, 9-O-[4-hydroxy-3,5-dimethoxycinnamoyl(?6)-?-D-glucopyranoside] C39H50O17 790.3048 NA MeJP NA NA +PJ035915 GSSSMHW C33H46N10O11S 790.3068 NA PeJP NA NA +PJ035916 PCDDRW C33H46N10O11S 790.3069 NA PeJP NA NA +PJ035917 ATNNNEE C29H46N10O16 790.3093 NA PeJP NA NA +PJ035918 NDEEER C29H46N10O16 790.3094 NA PeJP NA NA +PJ035919 SPPCCER C30H50N10O11S2 790.3102 NA PeJP NA NA +PJ035920 GGGGGGAPMM C30H50N10O11S2 790.3103 NA PeJP NA NA +PJ035921 GPDMWW C38H46N8O9S 790.3109 NA PeJP NA NA +PJ035922 AQEEEW C34H46N8O14 790.3134 NA PeJP NA NA +PJ035923 GCNNNNR C27H46N14O12S 790.3141 NA PeJP NA NA +PJ035924 GPPTCMW C35H50N8O9S2 790.3142 NA PeJP NA NA +PJ035925 GACCKFY C35H50N8O9S2 790.3143 NA PeJP NA NA +PJ035926 APTDQEM C31H50N8O14S 790.3167 NA PeJP NA NA +PJ035927 GPTQEEM C31H50N8O14S 790.3168 NA PeJP NA NA +PJ035928 GPEYYY C39H46N6O12 790.3174 NA PeJP NA NA +PJ035929 LEMMMH C32H54N8O9S3 790.3176 NA PeJP NA NA +PJ035930 CNDHFR C32H46N12O10S 790.3181 NA PeJP NA NA +PJ035931 PCMFFF C40H50N6O7S2 790.3183 NA PeJP NA NA +PJ035932 DDDDRR C28H46N12O15 790.3206 NA PeJP NA NA +PJ035933 SVEMYY C36H50N6O12S 790.3208 NA PeJP NA NA +PJ035934 GSTCMHR C29H50N12O10S2 790.3215 NA PeJP NA NA +PJ035935 CLMMFF C37H54N6O7S3 790.3216 NA PeJP NA NA +PJ035936 GNMHFW C37H46N10O8S 790.3221 NA PeJP NA NA +PJ035937 GDEERW C33H46N10O13 790.3246 NA PeJP NA NA +PJ035938 SCKMHW C34H50N10O8S2 790.3255 NA PeJP NA NA +PJ035939 GSPDEMR C30H50N10O13S 790.328 NA PeJP NA NA +PJ035940 AAEEWW C38H46N8O11 790.3286 NA PeJP NA NA +PJ035941 NKMMMH C31H54N10O8S3 790.3288 NA PeJP NA NA +PJ035942 GPPCMMR C31H54N10O8S3 790.3289 NA PeJP NA NA +MJ094511 Patellamide E C39H50N8O6S2 790.329472 NA MeJP NA NA +PJ035943 PTQEMW C35H50N8O11S 790.332 NA PeJP NA NA +PJ035944 PYYYW C43H46N6O9 790.3326 NA PeJP NA NA +PJ035945 QKEEEE C31H50N8O16 790.3345 NA PeJP NA NA +PJ035946 GPVQEMM C32H54N8O11S2 790.3354 NA PeJP NA NA +PJ035947 SNNDRW C32H46N12O12 790.3358 NA PeJP NA NA +PJ035948 GGGGSDRW C32H46N12O12 790.3359 NA PeJP NA NA +PJ035949 APMFYY C40H50N6O9S 790.336 NA PeJP NA NA +PJ035950 VMMHHH C33H50N12O7S2 790.3367 NA PeJP NA NA +PJ035951 SHHHHH C33H42N16O8 790.3372 NA PeJP NA NA +PJ035952 SSSSMHR C29H50N12O12S 790.3392 NA PeJP NA NA +PJ035953 GGGGGGGGGKM C29H50N12O12S 790.3393 NA PeJP NA NA +PJ035954 ALMMYY C37H54N6O9S2 790.3394 NA PeJP NA NA +PJ035955 DERWW C37H46N10O10 790.3399 NA PeJP NA NA +3656 NA VTDFYF 790.3409 ACE inhibitor Inhouse_peptide NA peptide +8240 Antioxidative peptide LGFEYY 790.341 NA ;SYN:(+)-S-Lysine; (S)-2,6-Diaminohexanoate; (S)-2,6-Diaminohexanoic acid; (S)-2,6-diamino-Hexanoate; (S)-2,6-diamino-Hexanoic acid; (S)-Lysine; (S)-a,e-Diaminocaproate; (S)-a,e-Diaminocaproic acid; 2,6-Diaminohexanoate; 2,6-Diaminohexanoic acid; 6-amino-Aminutrin; 6-amino-L-Norleucine; Aminutrin; L-(+)-Lysine; L-2,6-Diainohexanoate; L-2,6-Diainohexanoic acid; L-2,6-Diaminocaproate; L-2,6-Diaminocaproic acid; L-Lys; Lys; Lysine; Lysine acid; a-Lysine; h-Lys-oh; alpha-LysineH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +MJ094512 Bonaspectin D; 4''-O-?-D-Glucopyranoside C40H54O16 790.341185 NA MeJP NA NA +PJ035956 SPDMRW C34H50N10O10S 790.3432 NA PeJP NA NA +PJ035957 GGGGVQMW C34H50N10O10S 790.3433 NA PeJP NA NA +PJ035958 VDWWW C42H46N8O8 790.3439 NA PeJP NA NA +PJ035959 TQEEER C30H50N10O15 790.3457 NA PeJP NA NA +PJ035960 GGGSQKEE C30H50N10O15 790.3458 NA PeJP NA NA +PJ035961 PQEMMR C31H54N10O10S2 790.3466 NA PeJP NA NA +PJ035962 NQQQHH C31H46N14O11 790.3471 NA PeJP NA NA +PJ035963 APTMWW C39H50N8O8S 790.3473 NA PeJP NA NA +PJ035964 AKEEEW C35H50N8O13 790.3498 NA PeJP NA NA +PJ035965 CNNERR C28H50N14O11S 790.3505 NA PeJP NA NA +PJ035966 PVQMMW C36H54N8O8S2 790.3506 NA PeJP NA NA +PJ035967 SPQHHW C36H46N12O9 790.3511 NA PeJP NA NA +PJ035968 GPTKEEM C32H54N8O13S 790.3531 NA PeJP NA NA +PJ035969 GGGVLEEM C32H54N8O13S 790.3532 NA PeJP NA NA +PJ035970 SPVYYY C40H50N6O11 790.3538 NA PeJP NA NA +PJ035971 GPPKMMM C33H58N8O8S3 790.354 NA PeJP NA NA +PJ035972 GNQMRW C33H50N12O9S 790.3545 NA PeJP NA NA +PJ035973 GHHFFF C41H46N10O7 790.3551 NA PeJP NA NA +PJ035974 SDEERR C29H50N12O14 790.357 NA PeJP NA NA +PJ035975 TTLMYY C37H54N6O11S 790.3571 NA PeJP NA NA +PJ035976 GPCCQKR C30H54N12O9S2 790.3578 NA PeJP NA NA +PJ035977 PCEMRR C30H54N12O9S2 790.3579 NA PeJP NA NA +PJ035978 NNNHHR C30H46N16O10 790.3583 NA PeJP NA NA +PJ035979 ACKHFW C38H50N10O7S 790.3585 NA PeJP NA NA +PJ035980 ATEERW C34H50N10O12 790.361 NA PeJP NA NA +PJ035981 APMMRW C35H54N10O7S2 790.3619 NA PeJP NA NA +PJ035982 VQEEMR C31H54N10O12S 790.3644 NA PeJP NA NA +PJ035983 GTLEWW C39H50N8O10 790.365 NA PeJP NA NA +PJ035984 GCNRRW C32H50N14O8S 790.3657 NA PeJP NA NA +PJ035985 GSSNDRR C28H50N14O13 790.3682 NA PeJP NA NA +PJ035986 PTKEMW C36H54N8O10S 790.3684 NA PeJP NA NA +PJ035987 LFYYW C44H50N6O8 790.369 NA PeJP NA NA +PJ035988 KKEEEE C32H54N8O15 790.3709 NA PeJP NA NA +MJ094513 Bishassinidin C48H54O10 790.371697 NA MeJP NA NA +PJ035989 GPVKEMM C33H58N8O10S2 790.3718 NA PeJP NA NA +PJ035990 SSQQRW C33H50N12O11 790.3722 NA PeJP NA NA +PJ035991 GGGGGAPRY C33H50N12O11 790.3723 NA PeJP NA NA +PJ035992 ALMFFY C41H54N6O8S 790.3724 NA PeJP NA NA +PJ035993 AEEMRR C30H54N12O11S 790.3756 NA PeJP NA NA +PJ035994 SSKHFW C38H50N10O9 790.3762 NA PeJP NA NA +PJ035995 GSQKWW C38H50N10O9 790.3763 NA PeJP NA NA +MJ094514 15,20-Dihydroxypregn-4-en-3-one, 20-O-[?-L-Rhamnopyranosyl-(1?4)-4-hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] C41H58O15 790.377571 NA MeJP NA NA +PJ035996 GLEMRW C35H54N10O9S 790.3796 NA PeJP NA NA +PJ035997 TLWWW C43H50N8O7 790.3803 NA PeJP NA NA +PJ035998 TKEEER C31H54N10O14 790.3821 NA PeJP NA NA +PJ035999 PKEMMR C32H58N10O9S2 790.383 NA PeJP NA NA +PJ036000 VNEHHR C32H50N14O10 790.3835 NA PeJP NA NA +PJ036001 GVLMWW C40H54N8O7S 790.3837 NA PeJP NA NA +MJ094515 N-Deacyltunicamycin; 5,6-Dihydro, N4''-(10-methyl-2-undecenoyl) C35H58N4O16 790.384781 NA MeJP NA NA +PJ036002 SLKEEW C36H54N8O12 790.3861 NA PeJP NA NA +PJ036003 VTKEEW C36H54N8O12 790.3862 NA PeJP NA NA +PJ036004 SNQMRR C29H54N14O10S 790.3868 NA PeJP NA NA +PJ036005 GGGGTMRR C29H54N14O10S 790.3869 NA PeJP NA NA +PJ036006 PVKMMW C37H58N8O7S2 790.387 NA PeJP NA NA +PJ036007 SPKHHW C37H50N12O8 790.3875 NA PeJP NA NA +PJ036008 AALKEEM C33H58N8O12S 790.3895 NA PeJP NA NA +PJ036009 GLLYYY C41H54N6O10 790.3902 NA PeJP NA NA +PJ036010 GNKMRW C34H54N12O8S 790.3909 NA PeJP NA NA +PJ036011 PFRWW C42H50N10O6 790.3915 NA PeJP NA NA +PJ036012 GTTTQQR C30H54N12O13 790.3933 NA PeJP NA NA +PJ036013 TTEERR C30H54N12O13 790.3934 NA PeJP NA NA +PJ036014 PTMMRR C31H58N12O8S2 790.3942 NA PeJP NA NA +PJ036015 GEHHRR C31H50N16O9 790.3947 NA PeJP NA NA +PJ036016 LMRWW C39H54N10O6S 790.3949 NA PeJP NA NA +PJ036017 STLERW C35H54N10O11 790.3974 NA PeJP NA NA +PJ036018 SCNRRR C28H54N16O9S 790.3981 NA PeJP NA NA +MJ094516 Anatolioside B C38H62O17 790.3987 NA MeJP NA NA +PJ036019 GVHHRW C36H50N14O7 790.3987 NA PeJP NA NA +PJ036020 SSPTLMR C32H58N10O11S 790.4007 NA PeJP NA NA +PJ036021 VKEEMR C32H58N10O11S 790.4008 NA PeJP NA NA +MJ094517 Nostocyclopeptide A2 C40H54N8O9 790.401375 NA MeJP NA NA +C15724 Nostocyclopeptide A2 C40H54N8O9 790.4014 NA KEGG NA NA +PJ036022 SSLLWW C40H54N8O9 790.4014 NA PeJP NA NA +MJ094518 Disorazole A1; 9,10-Diol, O10-Me C44H58N2O11 790.40406 NA MeJP NA NA +PJ036023 GSSTQRR C29H54N14O12 790.4046 NA PeJP NA NA +PJ036024 VVKEMW C37H58N8O9S 790.4048 NA PeJP NA NA +PJ036025 ALFFFF C45H54N6O7 790.4054 NA PeJP NA NA +PJ036026 ATTLKEE C33H58N8O14 790.4073 NA PeJP NA NA +PJ036027 APTLKMM C34H62N8O9S2 790.4081 NA PeJP NA NA +PJ036028 SPVVKMM C34H62N8O9S2 790.4082 NA PeJP NA NA +PJ036029 SSQKRW C34H54N12O10 790.4086 NA PeJP NA NA +PJ036030 HHRRW C35H50N16O6 790.41 NA PeJP NA NA +PJ036031 SLEMRR C31H58N12O10S 790.412 NA PeJP NA NA +PJ036032 GSKKWW C39H54N10O8 790.4126 NA PeJP NA NA +PJ036033 GPPVVHW C39H54N10O8 790.4127 NA PeJP NA NA +MJ094519 3,21-Dihydroxy-11,13(18)-oleanadien-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1??)-?-L-rhamnopyranoside] C42H62O14 790.413956 NA MeJP NA NA +MJ094520 Bryostatin 10; 19-Deoxy, 19,20-didehydro C42H62O14 790.413956 NA MeJP NA NA +PJ036034 SVLMRW C36H58N10O8S 790.416 NA PeJP NA NA +PJ036035 SSSLLER C32H58N10O13 790.4185 NA PeJP NA NA +PJ036036 LLQMMR C33H62N10O8S2 790.4194 NA PeJP NA NA +PJ036037 GQQFRR C33H54N14O9 790.4199 NA PeJP NA NA +PJ036038 GTTTLLW C37H58N8O11 790.4225 NA PeJP NA NA +PJ036039 GGGVLLEF C37H58N8O11 790.4226 NA PeJP NA NA +PJ036040 SNKMRR C30H58N14O9S 790.4232 NA PeJP NA NA +PJ036041 PPVHRW C38H54N12O7 790.4239 NA PeJP NA NA +PJ036042 GTLLKEM C34H62N8O11S 790.4259 NA PeJP NA NA +PJ036043 ACKKRW C35H58N12O7S 790.4273 NA PeJP NA NA +PJ036044 GSTDKKR C31H58N12O12 790.4297 NA PeJP NA NA +PJ036045 GSSKKER C31H58N12O12 790.4298 NA PeJP NA NA +PJ036046 VVMMRR C32H62N12O7S2 790.4306 NA PeJP NA NA +PJ036047 SVHHRR C32H54N16O8 790.4311 NA PeJP NA NA +2696 NA IEGPTLRQWLAARA 790.432 MH2+ Inhouse_peptide NA peptide +PJ036048 SDKKKW C36H58N10O10 790.4338 NA PeJP NA NA +PJ036049 GTTLLMR C33H62N10O10S 790.4371 NA PeJP NA NA +PJ036050 GAKKKEM C33H62N10O10S 790.4372 NA PeJP NA NA +PJ036051 PVVKYW C41H58N8O8 790.4378 NA PeJP NA NA +PJ036052 GSSTKRR C30H58N14O11 790.441 NA PeJP NA NA +PJ036053 TLLKMW C38H62N8O8S 790.4412 NA PeJP NA NA +PJ036054 STTLLKE C34H62N8O13 790.4437 NA PeJP NA NA +PJ036055 GVLLKMM C35H66N8O8S2 790.4445 NA PeJP NA NA +PJ036056 SSKKRW C35H58N12O9 790.445 NA PeJP NA NA +PJ036057 TQKKMR C32H62N12O9S 790.4484 NA PeJP NA NA +PJ036058 GLLFRW C40H58N10O7 790.449 NA PeJP NA NA +MJ094521 Antibiotic SS 33410 C43H66O13 790.450342 NA MeJP NA NA +MJ094522 Antibiotic TAN 1323D C43H66O13 790.450342 NA MeJP NA NA +PJ036059 AKKKMW C37H62N10O7S 790.4524 NA PeJP NA NA +PJ036060 STTTLLR C33H62N10O12 790.4549 NA PeJP NA NA +MJ094523 Tangirine C49H62N2O7 790.455702 NA MeJP NA NA +PJ036061 LLKMMR C34H66N10O7S2 790.4558 NA PeJP NA NA +PJ036062 GQKFRR C34H58N14O8 790.4562 NA PeJP NA NA +PJ036063 GGAKFRR C34H58N14O8 790.4563 NA PeJP NA NA +PJ036064 GPTLLKY C38H62N8O10 790.4589 NA PeJP NA NA +PJ036065 TCKKRR C31H62N14O8S 790.4596 NA PeJP NA NA +PJ036066 SSLLLKM C35H66N8O10S 790.4623 NA PeJP NA NA +MJ094524 Sorangicin A; 22-Deoxy C47H66O10 790.465598 NA MeJP NA NA +PJ036067 GTTTKKR C32H62N12O11 790.4661 NA PeJP NA NA +PJ036068 TTKKKW C37H62N10O9 790.4702 NA PeJP NA NA +MJ094525 Ergostane-3,4,6,8,15,16,28-heptol, 28-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] C40H70O15 790.471471 NA MeJP NA NA +MJ094526 Kujimycin A C40H70O15 790.471471 NA MeJP NA NA +MJ094527 Stigmastane-3,4,6,8,15,16,29-heptol, 29-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] C40H70O15 790.471471 NA MeJP NA NA +MJ094528 Stigmastane-3,4,6,8,15,16,29-heptol, 29-O-[?-L-Arabinopyranosyl-(1?4)-3-O-methyl-?-D-xylopyranoside] C40H70O15 790.471471 NA MeJP NA NA +PJ036069 KKKKEM C34H66N10O9S 790.4735 NA PeJP NA NA +PJ036070 VVLKFW C42H62N8O7 790.4742 NA PeJP NA NA +PJ036071 ALLRRY C36H62N12O8 790.4814 NA PeJP NA NA +PJ036072 TKKKMR C33H66N12O8S 790.4848 NA PeJP NA NA +MJ094529 Antibiotic PC 766B; 19-Me ether C44H70O12 790.486727 NA MeJP NA NA +MJ094530 1,2-Di-O-acylglycerols; Glycerol 1,2-di-(8E-hexadecenoate), 3-O-(6-Deoxy-6-O-sulfo-?-D-glucopyranoside) C41H74O12S 790.490098 NA MeJP NA NA +PJ036073 SSTLKKK C34H66N10O11 790.4913 NA PeJP NA NA +PJ036074 GKKFRR C35H62N14O7 790.4926 NA PeJP NA NA +PJ036075 AALLLKY C39H66N8O9 790.4953 NA PeJP NA NA +PJ036076 VLLKRY C38H66N10O8 790.5065 NA PeJP NA NA +C04145 all-trans-Nonaprenyl diphosphate C45H76O7P2 790.5066 NA KEGG NA NA +C17438 di-trans,poly-cis-Nonaprenyl diphosphate C45H76O7P2 790.5066 NA KEGG NA NA +MetaCyc04143 solanesyl pyrophosphate [solanesyl diphosphate;(hydroxy-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenoxy)phosphinoyl)oxyphosphonic acid;all-trans-nonaprenyl diphosphate;] C45H76O7P2 790.506628 NA metacyc NA NA +MetaCyc04144 solanyl pyrophosphate [] C45H76O7P2 790.506628 NA metacyc NA NA +HMDB02367 Solanesyl-PP C45H76O7P2 790.50665 http://www.hmdb.ca/metabolites/HMDB02367 HMDB NA NA +HMDB02367 Solanesyl-PP C45H76O7P2 790.50665 HMDB02367 PFEM_hmdb_metabocards_official NA NA +HMDB02367 Solanesyl-PP C45H76O7P2 790.506653 NA HMDB2010 NA NA +C11311 Oligomycin A C45H74O11 790.5231 NA KEGG NA NA +MJ094531 Oligomycin A C45H74O11 790.523113 NA MeJP NA NA +PJ036077 LKKKKF C39H70N10O7 790.5429 NA PeJP NA NA +MJ094532 Huratoxin; 5-Deoxy, 6,7-deepoxy, 6,7-didehydro, 20-hexadecanoyl C50H78O7 790.574754 NA MeJP NA NA +MJ094533 ?-Cryptoxanthin; Hexadecanoyl C56H86O2 790.662781 NA MeJP NA NA +MJ094534 Rubixanthin, O-Hexadecanoyl C56H86O2 790.662781 NA MeJP NA NA +HMDB07819 DG(24:0/24:1(15Z)/0:0) C51H98O5 790.741455 NA HMDB2010 NA NA +HMDB07847 DG(24:1(15Z)/24:0/0:0) C51H98O5 790.741455 NA HMDB2010 NA NA +MJ094535 20(29)-Lupen-3-ol, Pentacosanoyl C55H98O2 790.756682 NA MeJP NA NA +7068 coeliac toxic peptide FPQQPQQPYPQQP 790.8695 MH2+ Inhouse_peptide NA peptide +MJ094536 Iopromide C18H24I3N3O8 790.869745 NA MeJP NA NA +MJ094537 Ioxilan C18H24I3N3O8 790.869745 NA MeJP NA NA +PJ036078 CCCCDDM C25H41N7O12S5 791.1417 NA PeJP NA NA +PJ036079 GSCCCCCN C24H41N9O11S5 791.1529 NA PeJP NA NA +PJ036080 GGGSCCCCC C24H41N9O11S5 791.153 NA PeJP NA NA +PJ036081 SCCCDMM C26H45N7O11S5 791.1781 NA PeJP NA NA +PJ036082 GCCCDEY C29H41N7O13S3 791.1925 NA PeJP NA NA +PJ036083 ACCCMMM C27H49N7O8S6 791.1967 NA PeJP NA NA +PJ036084 SCCCCHH C27H41N11O9S4 791.1972 NA PeJP NA NA +PJ036085 PCCCDDH C28H41N9O12S3 791.2037 NA PeJP NA NA +PJ036086 CCCDYW C33H41N7O10S3 791.2077 NA PeJP NA NA +PJ036087 SSCCDDY C29H41N7O15S2 791.2102 NA PeJP NA NA +PJ036088 PTCCCCY C30H45N7O10S4 791.2111 NA PeJP NA NA +PJ036089 SSCCMMM C27H49N7O10S5 791.2145 NA PeJP NA NA +PJ036090 GCDDDMH C28H41N9O14S2 791.2215 NA PeJP NA NA +PJ036091 CCCMFW C34H45N7O7S4 791.2264 NA PeJP NA NA +PJ036092 GSCCEMY C30H45N7O12S3 791.2289 NA PeJP NA NA +PJ036093 SCCNNDH C27H41N11O13S2 791.2327 NA PeJP NA NA +PJ036094 CCDEHW C32H41N9O11S2 791.2367 NA PeJP NA NA +PJ036095 SSCDDEH C28H41N9O16S 791.2392 NA PeJP NA NA +PJ036096 GGGGPCDDD C28H41N9O16S 791.2393 NA PeJP NA NA +PJ036097 SPCCDMH C29H45N9O11S3 791.2401 NA PeJP NA NA +PJ036098 CNDDYY C33H41N7O14S 791.2432 NA PeJP NA NA +PJ036099 GGCDDYY C33H41N7O14S 791.2433 NA PeJP NA NA +PJ036100 SCCMYW C34H45N7O9S3 791.2441 NA PeJP NA NA +PJ036101 SPDDDDE C29H41N7O19 791.2458 NA PeJP NA NA +PJ036102 SSSCDMY C30H45N7O14S2 791.2466 NA PeJP NA NA +PJ036103 CNMMMY C31H49N7O9S4 791.2475 NA PeJP NA NA +PJ036104 GCCNQMH C28H45N11O10S3 791.2513 NA PeJP NA NA +PJ036105 GGGGACCMH C28H45N11O10S3 791.2514 NA PeJP NA NA +PJ036106 GNNDDEE C28H41N9O18 791.257 NA PeJP NA NA +PJ036107 GSDDMMH C29H45N9O13S2 791.2579 NA PeJP NA NA +PJ036108 APCCMMH C30H49N9O8S4 791.2587 NA PeJP NA NA +PJ036109 GSPCCYY C34H45N7O11S2 791.2619 NA PeJP NA NA +PJ036110 GCCCNHR C27H45N13O9S3 791.2626 NA PeJP NA NA +MJ094538 UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine C29H51N3O18P2 791.264284 NA MeJP NA NA +MetaCyc04145 UDP-3-O-(3-hydroxymyristoyl)glucosamine [UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(3-hydroxytetradecanoyl)glucosamine;] C29H51N3O18P2 791.264285 NA metacyc NA NA +C06022 UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine C29H51N3O18P2 791.2643 NA KEGG NA NA +C06023 D-Glucosaminide C12H24N2O10 791.2643 NA KEGG NA NA +PJ036111 GPDDEEM C30H45N7O16S 791.2644 NA PeJP NA NA +PJ036112 GSTCMMY C31H49N7O11S3 791.2652 NA PeJP NA NA +PJ036113 SNNNNDD C27H41N11O17 791.2682 NA PeJP NA NA +PJ036114 GGGGGGGGSDD C27H41N11O17 791.2683 NA PeJP NA NA +PJ036115 SSCNNMH C28H45N11O12S2 791.2691 NA PeJP NA NA +PJ036116 NNDDEW C32H41N9O15 791.2722 NA PeJP NA NA +PJ036117 GGNDDEW C32H41N9O15 791.2723 NA PeJP NA NA +PJ036118 SCEMHW C33H45N9O10S2 791.2731 NA PeJP NA NA +PJ036119 SSSDEMH C29H45N9O15S 791.2756 NA PeJP NA NA +PJ036120 NEMMMH C30H49N9O10S3 791.2765 NA PeJP NA NA +PJ036121 GSCDHHH C30H41N13O11S 791.277 NA PeJP NA NA +PJ036122 ACCFYW C38H45N7O8S2 791.2771 NA PeJP NA NA +MJ094539 Antibiotic SF 2575; 4'-O-Deangeloyl, 4'-O-(2-ethyl-2Z-butenoyl) C41H45NO15 791.278919 NA MeJP NA NA +PJ036123 PDDEMW C34H45N7O13S 791.2796 NA PeJP NA NA +PJ036124 CNMMFF C35H49N7O8S3 791.2805 NA PeJP NA NA +PJ036125 QEEEEE C30H45N7O18 791.2821 NA PeJP NA NA +PJ036126 GVDDEEE C30H45N7O18 791.2822 NA PeJP NA NA +PJ036127 SSSSMMY C31H49N7O13S2 791.283 NA PeJP NA NA +PJ036128 GPDDDHH C31H41N11O14 791.2835 NA PeJP NA NA +PJ036129 GSSSSCQH C28H45N11O14S 791.2868 NA PeJP NA NA +PJ036130 GGGSSSTCH C28H45N11O14S 791.2869 NA PeJP NA NA +PJ036131 GNDDWW C36H41N9O12 791.2875 NA PeJP NA NA +PJ036132 CDMMHR C29H49N11O9S3 791.2877 NA PeJP NA NA +PJ036133 PCCHFW C37H45N9O7S2 791.2884 NA PeJP NA NA +PJ036134 GSPCNEW C33H45N9O12S 791.2909 NA PeJP NA NA +PJ036135 GMMMHW C34H49N9O7S3 791.2917 NA PeJP NA NA +PJ036136 DDEEER C29H45N9O17 791.2934 NA PeJP NA NA +PJ036137 GSTEMMH C30H49N9O12S2 791.2942 NA PeJP NA NA +PJ036138 GGGPNEMM C30H49N9O12S2 791.2943 NA PeJP NA NA +PJ036139 GTCYYW C38H45N7O10S 791.2949 NA PeJP NA NA +PJ036140 CQMHHH C31H45N13O8S2 791.2956 NA PeJP NA NA +PJ036141 AEEEEW C34H45N7O15 791.2974 NA PeJP NA NA +PJ036142 GCNNNDR C27H45N13O13S 791.2981 NA PeJP NA NA +PJ036143 GQMMYY C35H49N7O10S2 791.2983 NA PeJP NA NA +PJ036144 GPTEEEM C31H49N7O15S 791.3008 NA PeJP NA NA +PJ036145 GPPEMMM C32H53N7O10S3 791.3016 NA PeJP NA NA +PJ036146 NNNNMW C32H45N11O11S 791.3021 NA PeJP NA NA +PJ036147 GSNDDER C28H45N11O16 791.3046 NA PeJP NA NA +PJ036148 GPCNDMR C29H49N11O11S2 791.3055 NA PeJP NA NA +8084 peptide derived from tuna cooking juice SHDAHPE 791.3059 ACE inhibitor Inhouse_peptide NA peptide +PJ036149 SPCNWW C37H45N9O9S 791.3061 NA PeJP NA NA +PJ036150 CCHHHR C30H45N15O7S2 791.3068 NA PeJP NA NA +PJ036151 SNQEEW C33H45N9O14 791.3086 NA PeJP NA NA +PJ036152 GGGGGPDEF C33H45N9O14 791.3087 NA PeJP NA NA +PJ036153 STMMHW C34H49N9O9S2 791.3095 NA PeJP NA NA +PJ036154 SSTTEMH C30H49N9O14S 791.312 NA PeJP NA NA +PJ036155 SSSYYW C38H45N7O12 791.3126 NA PeJP NA NA +PJ036156 PPDDYW C38H45N7O12 791.3127 NA PeJP NA NA +PJ036157 DKMMMH C31H53N9O9S3 791.3129 NA PeJP NA NA +PJ036158 GSSMHHH C31H45N13O10S 791.3133 NA PeJP NA NA +PJ036159 GGGPCQHH C31H45N13O10S 791.3134 NA PeJP NA NA +PJ036160 PTEEMW C35H49N7O12S 791.316 NA PeJP NA NA +PJ036161 PPMMMW C36H53N7O7S3 791.3169 NA PeJP NA NA +PJ036162 KEEEEE C31H49N7O17 791.3185 NA PeJP NA NA +PJ036163 GPVEEMM C32H53N7O12S2 791.3194 NA PeJP NA NA +PJ036164 SNDDRW C32H45N11O13 791.3199 NA PeJP NA NA +PJ036165 PCCQRW C33H49N11O8S2 791.3207 NA PeJP NA NA +PJ036166 NNEEMR C29H49N11O13S 791.3232 NA PeJP NA NA +PJ036167 GGGGEEMR C29H49N11O13S 791.3233 NA PeJP NA NA +PJ036168 GSQEWW C37H45N9O11 791.3239 NA PeJP NA NA +PJ036169 SMMMHR C30H53N11O8S3 791.3241 NA PeJP NA NA +PJ036170 AQQEMW C34H49N9O11S 791.3272 NA PeJP NA NA +PJ036171 GAAQEMW C34H49N9O11S 791.3273 NA PeJP NA NA +PJ036172 NFYYW C42H45N7O9 791.3279 NA PeJP NA NA +PJ036173 ASTQQEE C30H49N9O16 791.3297 NA PeJP NA NA +PJ036174 TEEEER C30H49N9O16 791.3298 NA PeJP NA NA +PJ036175 PEEMMR C31H53N9O11S2 791.3306 NA PeJP NA NA +PJ036176 SSSTHHH C31H45N13O12 791.3311 NA PeJP NA NA +PJ036177 PPDMFW C39H49N7O9S 791.3313 NA PeJP NA NA +PJ036178 CKMHHH C32H49N13O7S2 791.332 NA PeJP NA NA +PJ036179 SLEEEW C35H49N7O14 791.3338 NA PeJP NA NA +PJ036180 CNDERR C28H49N13O12S 791.3345 NA PeJP NA NA +PJ036181 GKMMYY C36H53N7O9S2 791.3346 NA PeJP NA NA +PJ036182 PVEMMW C36H53N7O9S2 791.3347 NA PeJP NA NA +PJ036183 SPEHHW C36H45N11O10 791.3351 NA PeJP NA NA +PJ036184 SSPLEEM C32H53N7O14S 791.3371 NA PeJP NA NA +PJ036185 AALEEEM C32H53N7O14S 791.3372 NA PeJP NA NA +PJ036186 SPPVMMM C33H57N7O9S3 791.338 NA PeJP NA NA +PJ036187 GNEMRW C33H49N11O10S 791.3385 NA PeJP NA NA +PJ036188 SQWWW C41H45N9O8 791.3391 NA PeJP NA NA +PJ036189 GSSQEER C29H49N11O15 791.341 NA PeJP NA NA +MJ094540 Milliamine C; 20-Ac C45H49N3O10 791.341794 NA MeJP NA NA +MJ094541 Milliamine C; 3-O-Deacyl-5-O-acyl isomer, 20-Ac C45H49N3O10 791.341794 NA MeJP NA NA +MJ094542 Milliamine C; 5-Ac C45H49N3O10 791.341794 NA MeJP NA NA +PJ036190 GSPNMMR C30H53N11O10S2 791.3419 NA PeJP NA NA +PJ036191 NNDHHR C30H45N15O11 791.3423 NA PeJP NA NA +PJ036192 GGGGDHHR C30H45N15O11 791.3424 NA PeJP NA NA +PJ036193 AAQMWW C38H49N9O8S 791.3425 NA PeJP NA NA +PJ036194 SNKEEW C34H49N9O13 791.345 NA PeJP NA NA +PJ036195 PCQKMW C35H53N9O8S2 791.3459 NA PeJP NA NA +PJ036196 AQHHHY C35H45N13O9 791.3463 NA PeJP NA NA +PJ036197 GQQHHW C35H45N13O9 791.3464 NA PeJP NA NA +PJ036198 VEEEMR C31H53N9O13S 791.3484 NA PeJP NA NA +PJ036199 PPTEYW C39H49N7O11 791.349 NA PeJP NA NA +PJ036200 GCDRRW C32H49N13O9S 791.3497 NA PeJP NA NA +3633 NA YPFGFY~ 791.351 ACE inhibitor Inhouse_peptide NA peptide +PJ036201 GSSDDRR C28H49N13O14 791.3522 NA PeJP NA NA +PJ036202 VVEEMW C36H53N7O11S 791.3524 NA PeJP NA NA +PJ036203 GPTCCRR C29H53N13O9S2 791.3531 NA PeJP NA NA +PJ036204 NMRWW C37H49N11O7S 791.3537 NA PeJP NA NA +PJ036205 GGMRWW C37H49N11O7S 791.3538 NA PeJP NA NA +PJ036206 ATTLEEE C32H53N7O16 791.3549 NA PeJP NA NA +PJ036207 APTLEMM C33H57N7O11S2 791.3558 NA PeJP NA NA +PJ036208 SSQERW C33H49N11O12 791.3562 NA PeJP NA NA +PJ036209 GGGSSNKW C33H49N11O12 791.3563 NA PeJP NA NA +PJ036210 PCCKRW C34H53N11O7S2 791.3571 NA PeJP NA NA +PJ036211 PQHHHH C34H45N15O8 791.3576 NA PeJP NA NA +PJ036212 NDKEMR C30H53N11O12S 791.3596 NA PeJP NA NA +PJ036213 QRYYY C38H49N9O10 791.3602 NA PeJP NA NA +PJ036214 GSKEWW C38H49N9O10 791.3603 NA PeJP NA NA +PJ036215 AQKEMW C35H53N9O10S 791.3636 NA PeJP NA NA +PJ036216 GGVDKMW C35H53N9O10S 791.3637 NA PeJP NA NA +PJ036217 GQFFFF C43H49N7O8 791.3643 NA PeJP NA NA +PJ036218 GSDKKEE C31H53N9O15 791.3661 NA PeJP NA NA +PJ036219 GGSSLDKE C31H53N9O15 791.3662 NA PeJP NA NA +PJ036220 GPTQKMM C32H57N9O10S2 791.367 NA PeJP NA NA +PJ036221 NNNQFR C32H49N13O11 791.3675 NA PeJP NA NA +PJ036222 PPVMYW C40H53N7O8S 791.3677 NA PeJP NA NA +PJ036223 AAPLEEY C36H53N7O13 791.3702 NA PeJP NA NA +PJ036224 SNEMRR C29H53N13O11S 791.3708 NA PeJP NA NA +PJ036225 GGSEMRR C29H53N13O11S 791.3709 NA PeJP NA NA +PJ036226 GPPLMMF C37H57N7O8S2 791.371 NA PeJP NA NA +PJ036227 GSTRWW C37H49N11O9 791.3715 NA PeJP NA NA +PJ036228 GTLLEEM C33H57N7O13S 791.3735 NA PeJP NA NA +PJ036229 GPLLMMM C34H61N7O8S3 791.3744 NA PeJP NA NA +PJ036230 GDKMRW C34H53N11O9S 791.3749 NA PeJP NA NA +PJ036231 SKWWW C42H49N9O7 791.3755 NA PeJP NA NA +PJ036232 GSSKEER C30H53N11O14 791.3774 NA PeJP NA NA +PJ036233 VQQMMR C31H57N11O9S2 791.3782 NA PeJP NA NA +PJ036234 GGLQMMR C31H57N11O9S2 791.3783 NA PeJP NA NA +8207 RL-Y6/G6 - synthetic peptide AMRLTGNRPCLYAT 791.37865 MH2+ Inhouse_peptide NA peptide +8210 RL-Y12/G12 - synthetic peptide AMRLTYNRPCLGAT 791.37865 MH2+ Inhouse_peptide NA peptide +PJ036235 SQQHHR C31H49N15O10 791.3787 NA PeJP NA NA +PJ036236 AAKMWW C39H53N9O7S 791.3789 NA PeJP NA NA +PJ036237 SDKKEW C35H53N9O12 791.3814 NA PeJP NA NA +PJ036238 SCDRRR C28H53N15O10S 791.3821 NA PeJP NA NA +PJ036239 PCKKMW C36H57N9O7S2 791.3823 NA PeJP NA NA +PJ036240 GQKHHW C36H49N13O8 791.3827 NA PeJP NA NA +PJ036241 GGAKHHW C36H49N13O8 791.3828 NA PeJP NA NA +PJ036242 QKKEEM C32H57N9O12S 791.3848 NA PeJP NA NA +PJ036243 PVVEYW C40H53N7O10 791.3854 NA PeJP NA NA +PJ036244 GSMRRW C33H53N13O8S 791.3861 NA PeJP NA NA +PJ036245 HFFRW C41H49N11O6 791.3868 NA PeJP NA NA +PJ036246 GSSTERR C29H53N13O13 791.3886 NA PeJP NA NA +PJ036247 TLLEMW C37H57N7O10S 791.3888 NA PeJP NA NA +PJ036248 AQMMRR C30H57N13O8S2 791.3895 NA PeJP NA NA +PJ036249 STTLLEE C33H57N7O15 791.3913 NA PeJP NA NA +PJ036250 GVLLEMM C34H61N7O10S2 791.3922 NA PeJP NA NA +PJ036251 SSKERW C34H53N11O11 791.3926 NA PeJP NA NA +PJ036252 GGGGLEFR C34H53N11O11 791.3927 NA PeJP NA NA +PJ036253 PKHHHH C35H49N15O7 791.394 NA PeJP NA NA +PJ036254 TQKEMR C31H57N11O11S 791.396 NA PeJP NA NA +PJ036255 ATTKWW C39H53N9O9 791.3966 NA PeJP NA NA +PJ036256 SSVKWW C39H53N9O9 791.3967 NA PeJP NA NA +PJ036257 AKKEMW C36H57N9O9S 791.4 NA PeJP NA NA +PJ036258 PPVFFW C44H53N7O7 791.4007 NA PeJP NA NA +PJ036259 GTTKKEE C32H57N9O14 791.4025 NA PeJP NA NA +PJ036260 LLEMMR C33H61N9O9S2 791.4034 NA PeJP NA NA +PJ036261 SSTRRW C33H53N13O10 791.4039 NA PeJP NA NA +PJ036262 PVLMFW C41H57N7O7S 791.4041 NA PeJP NA NA +PJ036263 ASPLLEY C37H57N7O12 791.4065 NA PeJP NA NA +PJ036264 GPTLLEY C37H57N7O12 791.4066 NA PeJP NA NA +PJ036265 SDKMRR C30H57N13O10S 791.4072 NA PeJP NA NA +PJ036266 GGGSCKKR C30H57N13O10S 791.4073 NA PeJP NA NA +PJ036267 VLLMMW C38H61N7O7S2 791.4074 NA PeJP NA NA +PJ036268 GVQFRW C38H53N11O8 791.4079 NA PeJP NA NA +MJ094543 Ganefromycin ?1; 32-O-(2,6-Dideoxy-?-L-galactopyranoside) C41H61NO14 791.409205 NA MeJP NA NA +PJ036269 SSLLLEM C34H61N7O12S 791.4099 NA PeJP NA NA +PJ036270 ATKMRW C35H57N11O8S 791.4113 NA PeJP NA NA +PJ036271 SSTTLQR C31H57N11O13 791.4137 NA PeJP NA NA +PJ036272 GTTTKER C31H57N11O13 791.4138 NA PeJP NA NA +PJ036273 VQKMMR C32H61N11O8S2 791.4146 NA PeJP NA NA +PJ036274 SQKHHR C32H53N15O9 791.4151 NA PeJP NA NA +PJ036275 TTKKEW C36H57N9O11 791.4178 NA PeJP NA NA +PJ036276 SSMRRR C29H57N15O9S 791.4185 NA PeJP NA NA +PJ036277 QFRRW C37H53N13O7 791.4191 NA PeJP NA NA +PJ036278 SPTTKKM C33H61N9O11S 791.4211 NA PeJP NA NA +PJ036279 KKKEEM C33H61N9O11S 791.4212 NA PeJP NA NA +PJ036280 PTLLYW C41H57N7O9 791.4218 NA PeJP NA NA +PJ036281 VLMHHR C34H57N13O7S 791.4225 NA PeJP NA NA +PJ036282 SSSSLRR C30H57N13O12 791.425 NA PeJP NA NA +PJ036283 GPVLLMY C38H61N7O9S 791.4252 NA PeJP NA NA +PJ036284 AKMMRR C31H61N13O7S2 791.4259 NA PeJP NA NA +PJ036285 SVVLLMM C35H65N7O9S2 791.4285 NA PeJP NA NA +PJ036286 ATLLLMM C35H65N7O9S2 791.4286 NA PeJP NA NA +PJ036287 TTTKRW C35H57N11O10 791.429 NA PeJP NA NA +MJ094544 Leucomycin B; Leucomycin B2 C38H65NO16 791.430335 NA MeJP NA NA +PJ036288 TKKEMR C32H61N11O10S 791.4324 NA PeJP NA NA +PJ036289 APKKYW C40H57N9O8 791.433 NA PeJP NA NA +PJ036290 GGVVKFW C40H57N9O8 791.4331 NA PeJP NA NA +PJ036291 SLKKMW C37H61N9O8S 791.4364 NA PeJP NA NA +PJ036292 SSTLKKE C33H61N9O13 791.4389 NA PeJP NA NA +PJ036293 AALKKMM C34H65N9O8S2 791.4398 NA PeJP NA NA +PJ036294 GLQRRY C34H57N13O9 791.4403 NA PeJP NA NA +PJ036295 AALLLEY C38H61N7O11 791.4429 NA PeJP NA NA +PJ036296 TTKMRR C31H61N13O9S 791.4436 NA PeJP NA NA +PJ036297 GVKFRW C39H57N11O7 791.4443 NA PeJP NA NA +PJ036298 TTTLLLM C35H65N7O11S 791.4463 NA PeJP NA NA +PJ036299 SSTTLKR C32H61N11O12 791.4501 NA PeJP NA NA +PJ036300 GGSSTKKK C32H61N11O12 791.4502 NA PeJP NA NA +PJ036301 VKKMMR C33H65N11O7S2 791.451 NA PeJP NA NA +PJ036302 AARRRY C33H57N15O8 791.4515 NA PeJP NA NA +PJ036303 VLLERY C37H61N9O10 791.4542 NA PeJP NA NA +PJ036304 KFRRW C38H57N13O6 791.4555 NA PeJP NA NA +PJ036305 ATTLKKM C34H65N9O10S 791.4575 NA PeJP NA NA +PJ036306 VVLLYW C42H61N7O8 791.4582 NA PeJP NA NA +PJ036307 GVLLLMF C39H65N7O8S 791.4616 NA PeJP NA NA +PJ036308 APHRRR C32H57N17O7 791.4627 NA PeJP NA NA +PJ036309 PTKKRY C36H61N11O9 791.4654 NA PeJP NA NA +PJ036310 GTCKKKK C33H65N11O9S 791.4688 NA PeJP NA NA +PJ036311 ALKKFW C41H61N9O7 791.4694 NA PeJP NA NA +PJ036312 LLLMFR C38H65N9O7S 791.4728 NA PeJP NA NA +PJ036313 TTTTLKK C34H65N9O12 791.4753 NA PeJP NA NA +PJ036314 GLKRRY C35H61N13O8 791.4766 NA PeJP NA NA +PJ036315 GTLLLLY C39H65N7O10 791.4793 NA PeJP NA NA +MJ094545 Antibiotic FK 520 isomer C43H69NO12 791.481976 NA MeJP NA NA +MJ094546 Ascomycin C43H69NO12 791.481976 NA MeJP NA NA +C12102 FK520 C43H69NO12 791.482 NA KEGG NA NA +PJ036316 SSSKKKK C33H65N11O11 791.4865 NA PeJP NA NA +PJ036317 PVKHRR C34H61N15O7 791.4879 NA PeJP NA NA +MJ094547 Depsidomycin C38H65N9O9 791.490524 NA MeJP NA NA +PJ036318 LLQKKY C38H65N9O9 791.4906 NA PeJP NA NA +PJ036319 VVKKRY C37H65N11O8 791.5018 NA PeJP NA NA +MJ094548 Erythromycin; 14-(1-Hydroxypropyl) C40H73NO14 791.503106 NA MeJP NA NA +MJ094549 Scytophycin C; 19-De-O-Me C44H73NO11 791.518362 NA MeJP NA NA +PJ036320 LLKKKY C39H69N9O8 791.5269 NA PeJP NA NA +EUR543 18 :0-22 :6 PE F1 NA 791.542025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR543 18 :0-22 :6 PE F1 NA 791.542025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR543 18 :0-22 :6 PE F1 NA 791.542025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR543 18 :0-22 :6 PE F1 NA 791.542025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR543 18 :0-22 :6 PE F1 NA 791.542025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR543 18 :0-22 :6 PE F1 NA 791.542025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR543 18 :0-22 :6 PE F1 NA 791.542025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR543 18 :0-22 :6 PE F1 NA 791.542025 standards wishlist analysés sur QTOF HMDB NA NA +EUR543 18 :0-22 :6 PE F1 NA 791.542025 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR543 18 :0-22 :6 PE F1 NA 791.542025 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR543 18 :0-22 :6 PE F1 NA 791.542025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR543 18 :0-22 :6 PE F1 NA 791.542025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +EUR1006 PC 38:6 [M-H-CH3]- C46H80NO8P 791.546507 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1006 PC 38:6 [M-H-CH3]- C46H80NO8P 791.546507 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1006 PC 38:6 [M-H-CH3]- C46H80NO8P 791.546507 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1006 PC 38:6 [M-H-CH3]- C46H80NO8P 791.546507 masses lipides attendues Inhousejuil11 NA NA +HMDB07958 PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB08724 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09012 PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09043 PE(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09044 PE(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09076 PE(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09077 PE(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09108 PE(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09206 PE(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09269 PE(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09300 PE(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09301 PE(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09331 PE(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09332 PE(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09364 PE(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09365 PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09396 PE(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09429 PE(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09461 PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09558 PE(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09588 PE(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09619 PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09620 PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09652 PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09653 PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB09684 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) C45H78NO8P 791.546509 NA HMDB2010 NA NA +HMDB05334 GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C45H78NO8P 791.54651 http://www.hmdb.ca/metabolites/HMDB05334 HMDB NA NA +HMDB05334 GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C45H78NO8P 791.54651 HMDB05334 PFEM_hmdb_metabocards_official NA NA +EUR933 PC 32:1 [M-H+acetate]- C40H78NO8P 791.567607 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR933 PC 32:1 [M-H+acetate]- C40H78NO8P 791.567607 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR933 PC 32:1 [M-H+acetate]- C40H78NO8P 791.567607 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR933 PC 32:1 [M-H+acetate]- C40H78NO8P 791.567607 masses lipides attendues Inhousejuil11 NA NA +HMDB12378 PS(18:0/18:0) C42H82NO10P 791.567627 NA HMDB2010 NA NA +HMDB08457 PC(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z)) C46H82NO7P 791.582886 NA HMDB2010 NA NA +HMDB08458 PC(20:4(5Z,8Z,11Z,14Z)/P-18:1(9Z)) C46H82NO7P 791.582886 NA HMDB2010 NA NA +HMDB08490 PC(20:4(8Z,11Z,14Z,17Z)/P-18:1(11Z)) C46H82NO7P 791.582886 NA HMDB2010 NA NA +HMDB08491 PC(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z)) C46H82NO7P 791.582886 NA HMDB2010 NA NA +HMDB08522 PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:0) C46H82NO7P 791.582886 NA HMDB2010 NA NA +HMDB08685 PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-16:0) C46H82NO7P 791.582886 NA HMDB2010 NA NA +HMDB08718 PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-16:0) C46H82NO7P 791.582886 NA HMDB2010 NA NA +HMDB11227 PC(P-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C46H82NO7P 791.582886 NA HMDB2010 NA NA +HMDB11228 PC(P-16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C46H82NO7P 791.582886 NA HMDB2010 NA NA +HMDB11255 PC(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C46H82NO7P 791.582886 NA HMDB2010 NA NA +HMDB11286 PC(P-18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C46H82NO7P 791.582886 NA HMDB2010 NA NA +HMDB11287 PC(dm18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C46H82NO7P 791.582886 NA HMDB2010 NA NA +HMDB11319 PC(P-18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C46H82NO7P 791.582886 NA HMDB2010 NA NA +HMDB11320 PC(P-18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C46H82NO7P 791.582886 NA HMDB2010 NA NA +HMDB13409 PC(o-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H82NO7P 791.582886 NA HMDB2010 NA NA +EUR1078 SM(d18:1/18:0) [M-H+acetate]- C41H84N2O6P 791.627801 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1078 SM(d18:1/18:0) [M-H+acetate]- C41H84N2O6P 791.627801 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1078 SM(d18:1/18:0) [M-H+acetate]- C41H84N2O6P 791.627801 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1078 SM(d18:1/18:0) [M-H+acetate]- C41H84N2O6P 791.627801 masses lipides attendues Inhousejuil11 NA NA +PJ036321 GSCCCCCD C24H40N8O12S5 792.137 NA PeJP NA NA +PJ036322 CCCCCQM C25H44N8O9S6 792.1556 NA PeJP NA NA +PJ036323 CCCCCCR C24H44N10O8S6 792.1668 NA PeJP NA NA +PJ036324 GSSCCCCM C25H44N8O11S5 792.1733 NA PeJP NA NA +C04787 Cyanidin 3-rutinoside-5-glucoside C33H41O20 792.188 NA KEGG NA NA +C04788 Glycano-1,3-(N-acetyl-alpha-D-galactosaminyl)-glycoprotein C33H41O20 792.188 NA KEGG NA NA +C04789 Lysosomal-enzyme N-acetyl-D-glucosaminyl-phospho-D-mannose C14H25NO14PR 792.188 NA KEGG NA NA +C04790 N-Acetyl-beta-D-mannosaminouronosyl-1,4-lipopolysaccharide C14H25NO14PR 792.188 NA KEGG NA NA +C04791 beta-D-Galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein C14H24NO11R 792.188 NA KEGG NA NA +C04792 1-Acyl-2-[(S)-12-hydroxyoleoyl]-sn-glycero-3-phosphocholine C27H52NO9PR 792.188 NA KEGG NA NA +PJ036325 SSSTCCCC C25H44N8O13S4 792.1911 NA PeJP NA NA +PJ036326 CCCCCKM C26H48N8O8S6 792.192 NA PeJP NA NA +PJ036327 ACCCCQY C29H44N8O10S4 792.2063 NA PeJP NA NA +PJ036328 GCCCNMY C29H44N8O10S4 792.2064 NA PeJP NA NA +PJ036329 SCCNDDH C27H40N10O14S2 792.2167 NA PeJP NA NA +PJ036330 PCCCCQH C28H44N10O9S4 792.2176 NA PeJP NA NA +PJ036331 PCNDDDD C28H40N8O17S 792.2232 NA PeJP NA NA +PJ036332 GGPCDDDD C28H40N8O17S 792.2233 NA PeJP NA NA +PJ036333 SSCCCQY C29H44N8O12S3 792.2241 NA PeJP NA NA +PJ036334 CDDDYY C33H40N6O15S 792.2273 NA PeJP NA NA +PJ036335 CDMMMY C31H48N6O10S4 792.2315 NA PeJP NA NA +PJ036336 ACCNDMH C28H44N10O11S3 792.2353 NA PeJP NA NA +PJ036337 GCCNEMH C28H44N10O11S3 792.2354 NA PeJP NA NA +PJ036338 GCCCNFF C33H44N8O9S3 792.2394 NA PeJP NA NA +PJ036339 GNDDDEE C28H40N8O19 792.241 NA PeJP NA NA +PJ036340 GSSSSCCY C29H44N8O14S2 792.2419 NA PeJP NA NA +PJ036341 ACCCCKY C30H48N8O9S4 792.2427 NA PeJP NA NA +PJ036342 APPPCCCC C30H48N8O9S4 792.2428 NA PeJP NA NA +PJ036343 CDDMFY C34H44N6O12S2 792.2459 NA PeJP NA NA +PJ036344 GCCCDHR C27H44N12O10S3 792.2466 NA PeJP NA NA +PJ036345 CMMMMF C32H52N6O7S5 792.2501 NA PeJP NA NA +PJ036346 CCNMHW C32H44N10O8S3 792.2506 NA PeJP NA NA +PJ036347 SNNNDDD C27H40N10O18 792.2522 NA PeJP NA NA +PJ036348 GGGGSNDDD C27H40N10O18 792.2523 NA PeJP NA NA +PJ036349 SSCNDMH C28H44N10O13S2 792.2531 NA PeJP NA NA +PJ036350 PCCCCKH C29H48N10O8S4 792.254 NA PeJP NA NA +PJ036351 NDDDEW C32H40N8O16 792.2563 NA PeJP NA NA +PJ036352 CCNQYY C33H44N8O11S2 792.2571 NA PeJP NA NA +MJ094550 5,6,7,8-Tetrahydromethanopterin C30H45N6O17P 792.25788 NA MeJP NA NA +PJ036353 SPNDDDM C29H44N8O16S 792.2596 NA PeJP NA NA +PJ036354 SSCCCKY C30H48N8O11S3 792.2605 NA PeJP NA NA +PJ036355 SDDMYY C34H44N6O14S 792.2636 NA PeJP NA NA +PJ036356 CDMMFF C35H48N6O9S3 792.2645 NA PeJP NA NA +PJ036357 EEEEEE C30H44N6O19 792.2662 NA PeJP NA NA +PJ036358 SMMMMY C32H52N6O9S4 792.2679 NA PeJP NA NA +PJ036359 GSTCCHW C32H44N10O10S2 792.2684 NA PeJP NA NA +PJ036360 GSSSSCEH C28H44N10O15S 792.2709 NA PeJP NA NA +PJ036361 GDDDWW C36H40N8O13 792.2715 NA PeJP NA NA +PJ036362 PPCCCDR C29H48N10O10S3 792.2717 NA PeJP NA NA +PJ036363 GSPCDEW C33H44N8O13S 792.2749 NA PeJP NA NA +PJ036364 GPPCCMW C34H48N8O8S3 792.2758 NA PeJP NA NA +PJ036365 GSNEEEE C29H44N8O18 792.2774 NA PeJP NA NA +PJ036366 GPNDEMM C30H48N8O13S2 792.2783 NA PeJP NA NA +PJ036367 CDDFFF C38H44N6O11S 792.2789 NA PeJP NA NA +PJ036368 CEMHHH C31H44N12O9S2 792.2796 NA PeJP NA NA +PJ036369 GCNNDDR C27H44N12O14S 792.2821 NA PeJP NA NA +PJ036370 GEMMYY C35H48N6O11S2 792.2823 NA PeJP NA NA +PJ036371 GSCCMHR C28H48N12O9S3 792.283 NA PeJP NA NA +PJ036372 CCHHFF C36H44N10O7S2 792.2836 NA PeJP NA NA +MJ094551 Fraxiformoside; O-?-D-Glucopyranoside C38H48O18 792.284064 NA MeJP NA NA +PJ036373 SSSSCHW C32H44N10O12S 792.2861 NA PeJP NA NA +PJ036374 GSDDDER C28H44N10O17 792.2886 NA PeJP NA NA +PJ036375 GPCDDMR C29H48N10O12S2 792.2895 NA PeJP NA NA +PJ036376 SPCDWW C37H44N8O10S 792.2901 NA PeJP NA NA +PJ036377 SNEEEW C33H44N8O15 792.2926 NA PeJP NA NA +PJ036378 GGSEEEW C33H44N8O15 792.2927 NA PeJP NA NA +PJ036379 PNDMMW C34H48N8O10S2 792.2935 NA PeJP NA NA +PJ036380 QQEEEM C30H48N8O15S 792.296 NA PeJP NA NA +PJ036381 GDEFYY C38H44N6O13 792.2967 NA PeJP NA NA +PJ036382 SPPCQMM C31H52N8O10S3 792.2969 NA PeJP NA NA +PJ036383 GPCNEHH C31H44N12O11S 792.2974 NA PeJP NA NA +PJ036384 MMYYW C39H48N6O8S2 792.2975 NA PeJP NA NA +PJ036385 GSSSNNNN C27H44N12O16 792.2998 NA PeJP NA NA +PJ036386 GGGSSSNNN C27H44N12O16 792.2999 NA PeJP NA NA +PJ036387 STEMYY C35H48N6O13S 792.3 NA PeJP NA NA +PJ036388 SSTCCHR C28H48N12O11S2 792.3007 NA PeJP NA NA +PJ036389 AMMMFY C36H52N6O8S3 792.3009 NA PeJP NA NA +PJ036390 GCNQWW C36H44N10O9S 792.3014 NA PeJP NA NA +PJ036391 SDDDRW C32H44N10O14 792.3039 NA PeJP NA NA +PJ036392 NNMMHF C33H48N10O9S2 792.3047 NA PeJP NA NA +PJ036393 PCCERW C33H48N10O9S2 792.3048 NA PeJP NA NA +PJ036394 SSPCDER C29H48N10O14S 792.3072 NA PeJP NA NA +PJ036395 NDEEMR C29H48N10O14S 792.3073 NA PeJP NA NA +PJ036396 GSEEWW C37H44N8O12 792.3079 NA PeJP NA NA +PJ036397 SPPCCMR C30H52N10O9S3 792.3081 NA PeJP NA NA +PJ036398 APCMWW C38H48N8O7S2 792.3088 NA PeJP NA NA +PJ036399 AQEEMW C34H48N8O12S 792.3113 NA PeJP NA NA +PJ036400 DFYYW C42H44N6O10 792.3119 NA PeJP NA NA +PJ036401 PMMMHF C35H52N8O7S3 792.3121 NA PeJP NA NA +PJ036402 PCNHHW C35H44N12O8S 792.3126 NA PeJP NA NA +PJ036403 GSDKEEE C30H48N8O17 792.3138 NA PeJP NA NA +PJ036404 GPTQEMM C31H52N8O12S2 792.3146 NA PeJP NA NA +PJ036405 GGAPTEMM C31H52N8O12S2 792.3147 NA PeJP NA NA +PJ036406 GNNNNNF C31H44N12O13 792.3151 NA PeJP NA NA +PJ036407 GGGGGGGGGGGF C31H44N12O13 792.3152 NA PeJP NA NA +PJ036408 GPMYYY C39H48N6O10S 792.3153 NA PeJP NA NA +PJ036409 LMMMMH C32H56N8O7S4 792.3155 NA PeJP NA NA +PJ036410 CCQHFR C32H48N12O8S2 792.316 NA PeJP NA NA +PJ036411 CDDERR C28H48N12O13S 792.3185 NA PeJP NA NA +PJ036412 SVMMYY C36H52N6O10S2 792.3187 NA PeJP NA NA +PJ036413 SSNNWW C36H44N10O11 792.3191 NA PeJP NA NA +PJ036414 GGGGDHFF C36H44N10O11 792.3192 NA PeJP NA NA +PJ036415 GDEMRW C33H48N10O11S 792.3225 NA PeJP NA NA +PJ036416 SEWWW C41H44N8O9 792.3231 NA PeJP NA NA +PJ036417 GSSEEER C29H48N10O16 792.325 NA PeJP NA NA +PJ036418 GSPDMMR C30H52N10O11S2 792.3259 NA PeJP NA NA +PJ036419 GSNNQHH C30H44N14O12 792.3263 NA PeJP NA NA +PJ036420 NDDHHR C30H44N14O12 792.3264 NA PeJP NA NA +PJ036421 AAEMWW C38H48N8O9S 792.3265 NA PeJP NA NA +PJ036422 SDKEEW C34H48N8O14 792.329 NA PeJP NA NA +PJ036423 PTQMMW C35H52N8O9S2 792.3299 NA PeJP NA NA +PJ036424 GQEHHW C35H44N12O10 792.3304 NA PeJP NA NA +PJ036425 MFFYW C43H48N6O7S 792.3305 NA PeJP NA NA +MJ094552 Cytotetrin; Cytotetrin A C38H52N2O16 792.331683 NA MeJP NA NA +PJ036426 QKEEEM C31H52N8O14S 792.3324 NA PeJP NA NA +PJ036427 GVEYYY C39H48N6O12 792.333 NA PeJP NA NA +PJ036428 GPVQMMM C32H56N8O9S3 792.3333 NA PeJP NA NA +CJneg0653 Phenylacetylglutamine [(3M-H)]- C39H47N6O12 792.333525 C18rt(min)=5.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0653 Phenylacetylglutamine [(3M-H)]- C39H47N6O12 792.333525 C18rt(min)=5.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +PJ036429 SCNQRW C32H48N12O10S 792.3337 NA PeJP NA NA +PJ036430 GGGGTCRW C32H48N12O10S 792.3338 NA PeJP NA NA +PJ036431 AMMFFF C40H52N6O7S2 792.3339 NA PeJP NA NA +PJ036432 SSSNNER C28H48N12O15 792.3362 NA PeJP NA NA +MJ094553 Tenuisine A C44H48N4O10 792.337043 NA MeJP NA NA +PJ036433 NNQMMR C29H52N12O10S2 792.3371 NA PeJP NA NA +PJ036434 DMRWW C37H48N10O8S 792.3378 NA PeJP NA NA +PJ036435 ASSSQQW C33H48N10O13 792.3402 NA PeJP NA NA +PJ036436 SSEERW C33H48N10O13 792.3403 NA PeJP NA NA +PJ036437 PTCMRW C34H52N10O8S2 792.3411 NA PeJP NA NA +PJ036438 PEHHHH C34H44N14O9 792.3416 NA PeJP NA NA +PJ036439 CLWWW C42H48N8O6S 792.3418 NA PeJP NA NA +PJ036440 TQEEMR C30H52N10O13S 792.3436 NA PeJP NA NA +PJ036441 GGGGATDKM C30H52N10O13S 792.3437 NA PeJP NA NA +PJ036442 ATTEWW C38H48N8O11 792.3443 NA PeJP NA NA +PJ036443 PQMMMR C31H56N10O8S3 792.3445 NA PeJP NA NA +PJ036444 GSPCHHR C31H48N14O9S 792.345 NA PeJP NA NA +PJ036445 QHHWW C39H44N12O7 792.3456 NA PeJP NA NA +PJ036446 SLQEMW C35H52N8O11S 792.3476 NA PeJP NA NA +PJ036447 AKEEMW C35H52N8O11S 792.3477 NA PeJP NA NA +PJ036448 VYYYW C43H48N6O9 792.3483 NA PeJP NA NA +PJ036449 GGCNMRR C28H52N14O9S2 792.3484 NA PeJP NA NA +PJ036450 CLHHHF C36H48N12O7S 792.349 NA PeJP NA NA +PJ036451 STTLNEE C31H52N8O16 792.3501 NA PeJP NA NA +PJ036452 GTTKEEE C31H52N8O16 792.3502 NA PeJP NA NA +PJ036453 GPTKEMM C32H56N8O11S2 792.351 NA PeJP NA NA +PJ036454 GSSSNRW C32H48N12O12 792.3515 NA PeJP NA NA +PJ036455 GLMFYY C40H52N6O9S 792.3517 NA PeJP NA NA +PJ036456 CCKHFR C33H52N12O7S2 792.3524 NA PeJP NA NA +PJ036457 SDEMRR C29H52N12O12S 792.3549 NA PeJP NA NA +PJ036458 GPDRYW C37H48N10O10 792.3555 NA PeJP NA NA +PJ036459 PCMMRR C30H56N12O7S3 792.3557 NA PeJP NA NA +MJ094554 Hispidin A; 15-Deacyl, 15-(2-methylpropanoyl) C40H56O16 792.356835 NA MeJP NA NA +PJ036460 ATEMRW C34H52N10O10S 792.3589 NA PeJP NA NA +PJ036461 AAPYWW C42H48N8O8 792.3595 NA PeJP NA NA +PJ036462 GTTTEER C30H52N10O15 792.3614 NA PeJP NA NA +PJ036463 VQEMMR C31H56N10O10S2 792.3623 NA PeJP NA NA +PJ036464 SQEHHR C31H48N14O11 792.3627 NA PeJP NA NA +PJ036465 GGGGGSKHH C31H48N14O11 792.3628 NA PeJP NA NA +PJ036466 GTLMWW C39H52N8O8S 792.3629 NA PeJP NA NA +PJ036467 FFFFW C47H48N6O6 792.3636 NA PeJP NA NA +PJ036468 TTKEEW C35H52N8O13 792.3654 NA PeJP NA NA +PJ036469 GSSCQRR C28H52N14O11S 792.3661 NA PeJP NA NA +PJ036470 PTKMMW C36H56N8O8S2 792.3663 NA PeJP NA NA +PJ036471 SLHHHY C36H48N12O9 792.3667 NA PeJP NA NA +PJ036472 GNNFRW C36H48N12O9 792.3668 NA PeJP NA NA +PJ036473 KKEEEM C32H56N8O13S 792.3688 NA PeJP NA NA +PJ036474 ATLYYY C40H52N6O11 792.3694 NA PeJP NA NA +PJ036475 GPVKMMM C33H60N8O8S3 792.3697 NA PeJP NA NA +PJ036476 SCNKRW C33H52N12O9S 792.3701 NA PeJP NA NA +PJ036477 APPHWW C41H48N10O7 792.3708 NA PeJP NA NA +PJ036478 SSSNDKR C29H52N12O14 792.3726 NA PeJP NA NA +PJ036479 AEMMRR C30H56N12O9S2 792.3735 NA PeJP NA NA +PJ036480 GPMFRW C38H52N10O7S 792.3742 NA PeJP NA NA +PJ036481 TTTERW C34H52N10O12 792.3766 NA PeJP NA NA +PJ036482 GGASSTKW C34H52N10O12 792.3767 NA PeJP NA NA +PJ036483 GLMMRW C35H56N10O7S2 792.3775 NA PeJP NA NA +PJ036484 GTHHRW C35H48N14O8 792.378 NA PeJP NA NA +PJ036485 TKEEMR C31H56N10O12S 792.38 NA PeJP NA NA +PJ036486 STTLWW C39H52N8O10 792.3807 NA PeJP NA NA +PJ036487 PKMMMR C32H60N10O7S3 792.3809 NA PeJP NA NA +PJ036488 VNMHHR C32H52N14O8S 792.3814 NA PeJP NA NA +PJ036489 KHHWW C40H48N12O6 792.382 NA PeJP NA NA +MJ094555 Halomicin D C43H56N2O12 792.383325 NA MeJP NA NA +PJ036490 SSSSNRR C28H52N14O13 792.3838 NA PeJP NA NA +PJ036491 GGSSSSRR C28H52N14O13 792.3839 NA PeJP NA NA +PJ036492 SLKEMW C36H56N8O10S 792.384 NA PeJP NA NA +PJ036493 GGGPVLMY C36H56N8O10S 792.3841 NA PeJP NA NA +PJ036494 GLFFFY C44H52N6O8 792.3847 NA PeJP NA NA +PJ036495 SSTLKEE C32H56N8O15 792.3865 NA PeJP NA NA +PJ036496 AALKEMM C33H60N8O10S2 792.3874 NA PeJP NA NA +PJ036497 SPDRRY C33H52N12O11 792.3879 NA PeJP NA NA +PJ036498 GSSQKMR C30H56N12O11S 792.3912 NA PeJP NA NA +PJ036499 TTEMRR C30H56N12O11S 792.3913 NA PeJP NA NA +PJ036500 APTRYW C38H52N10O9 792.3919 NA PeJP NA NA +PJ036501 GMHHRR C31H52N16O7S 792.3926 NA PeJP NA NA +MJ094556 Betavulgaroside II C41H60O15 792.393221 NA MeJP NA NA +MJ094557 Neristatin I C41H60O15 792.393221 NA MeJP NA NA +PJ036502 STLMRW C35H56N10O9S 792.3953 NA PeJP NA NA +PJ036503 AALFWW C43H52N8O7 792.3959 NA PeJP NA NA +PJ036504 SSTTLER C31H56N10O14 792.3978 NA PeJP NA NA +PJ036505 ASCLLMR C32H60N10O9S2 792.3986 NA PeJP NA NA +PJ036506 VKEMMR C32H60N10O9S2 792.3987 NA PeJP NA NA +PJ036507 GNQRRY C32H52N14O10 792.3991 NA PeJP NA NA +PJ036508 PCLKFW C40H56N8O7S 792.3993 NA PeJP NA NA +PJ036509 SSSTLLW C36H56N8O12 792.4018 NA PeJP NA NA +PJ036510 GSSCKRR C29H56N14O10S 792.4025 NA PeJP NA NA +PJ036511 VVKMMW C37H60N8O7S2 792.4027 NA PeJP NA NA +PJ036512 EFRRW C37H52N12O8 792.4031 NA PeJP NA NA +PJ036513 GAPKHHF C37H52N12O8 792.4032 NA PeJP NA NA +PJ036514 ATTLKEM C33H60N8O12S 792.4052 NA PeJP NA NA +MJ094558 Laidlomycin; 26-Propanoyl, K salt C40H65KO13 792.406224 NA MeJP NA NA +PJ036515 APMRRY C34H56N12O8S 792.4065 NA PeJP NA NA +PJ036516 VFRWW C42H52N10O6 792.4072 NA PeJP NA NA +PJ036517 SSSTQKR C30H56N12O13 792.409 NA PeJP NA NA +C11641 3',4'-Anhydrovinblastine C46H56N4O8 792.4098 NA KEGG NA NA +MJ094559 Vinblastine; 20'-Deoxy, 15',20'-didehydro C46H56N4O8 792.409814 NA MeJP NA NA +MJ094560 Vingramine C46H56N4O8 792.409814 NA MeJP NA NA +PJ036518 SLMMRR C31H60N12O8S2 792.4099 NA PeJP NA NA +PJ036519 STHHRR C31H52N16O9 792.4104 NA PeJP NA NA +PJ036520 GSSTKKW C35H56N10O11 792.413 NA PeJP NA NA +PJ036521 GGGGAALKY C35H56N10O11 792.4131 NA PeJP NA NA +MJ094561 1,6,10,14-Phytatetraene-3,17-diol, 17-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 3-O-?-D-glucopyranoside C38H64O17 792.41435 NA MeJP NA NA +MJ094562 1-Dodecanol; O-[2,3,4-Tri-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] C38H64O17 792.41435 NA MeJP NA NA +MJ094563 1-Dodecanol; O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?3)-2,4-di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside] C38H64O17 792.41435 NA MeJP NA NA +MJ094564 Mezzettiaside 7; 3''-Deglycosyl C38H64O17 792.41435 NA MeJP NA NA +PJ036522 LLHHHH C36H52N14O7 792.4144 NA PeJP NA NA +PJ036523 SSSLLMR C32H60N10O11S 792.4164 NA PeJP NA NA +PJ036524 SPLKYW C40H56N8O9 792.417 NA PeJP NA NA +MJ094565 Pohlianin C C40H56N8O9 792.417025 NA MeJP NA NA +PJ036525 PVTKYW C40H56N8O9 792.4171 NA PeJP NA NA +PJ036526 PPMHRR C33H56N14O7S 792.4178 NA PeJP NA NA +PJ036527 AAPLKMY C37H60N8O9S 792.4204 NA PeJP NA NA +PJ036528 CCKKRR C30H60N14O7S2 792.4211 NA PeJP NA NA +PJ036529 TTTTLKE C33H60N8O14 792.4229 NA PeJP NA NA +PJ036530 GTLLKMM C34H64N8O9S2 792.4238 NA PeJP NA NA +PJ036531 GLERRY C34H56N12O10 792.4243 NA PeJP NA NA +PJ036532 GSSKKMR C31H60N12O10S 792.4276 NA PeJP NA NA +PJ036533 GVLRYW C39H56N10O8 792.4283 NA PeJP NA NA +C08952 Gypsogenin 3-O-rhamnosylglucuronide C42H64O14 792.4296 NA KEGG NA NA +MJ094566 20,24-Epoxy-3,16-dihydroxycucurbita-5,23-diene-11,22-dione, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C42H64O14 792.429606 NA MeJP NA NA +MJ094567 3,21-Dihydroxy-12-oleanen-28-oic acid, 28?21 Lactone, 3-O-[?-D-glucuronopyranosyl-(1?2)-?-D-glucopyranoside] C42H64O14 792.429606 NA MeJP NA NA +MJ094568 3-Hydroxy-12,20(30)-ursadiene-27,28-dioic acid, 3-O-?-L-Rhamnopyranoside, 28-O-?-D-glucopyranosyl ester C42H64O14 792.429606 NA MeJP NA NA +MJ094569 3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside] C42H64O14 792.429606 NA MeJP NA NA +MJ094570 8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 11-Tigloyl, 12-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside] C42H64O14 792.429606 NA MeJP NA NA +MJ094571 Glaucogenin C; 3-O-[?-D-Cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-cymaropyranoside] C42H64O14 792.429606 NA MeJP NA NA +MJ094572 Mabioside C C42H64O14 792.429606 NA MeJP NA NA +PJ036534 TCKKKW C36H60N10O8S 792.4317 NA PeJP NA NA +PJ036535 TTTTTLR C32H60N10O13 792.4341 NA PeJP NA NA +PJ036536 SSSKKKE C32H60N10O13 792.4342 NA PeJP NA NA +PJ036537 QKKKMM C33H64N10O8S2 792.435 NA PeJP NA NA +PJ036538 GNKRRY C33H56N14O9 792.4355 NA PeJP NA NA +PJ036539 LLQKEY C37H60N8O11 792.4382 NA PeJP NA NA +PJ036540 LRRYW C38H56N12O7 792.4395 NA PeJP NA NA +PJ036541 STTILKM C34H64N8O11S 792.4415 NA PeJP NA NA +PJ036542 STTLLKM C34H64N8O11S 792.4416 NA PeJP NA NA +PJ036543 ALMFRR C35H60N12O7S 792.4429 NA PeJP NA NA +PJ036544 SSSTKKR C31H60N12O12 792.4454 NA PeJP NA NA +PJ036545 CKKKMR C32H64N12O7S2 792.4463 NA PeJP NA NA +PJ036546 VVKERY C36H60N10O10 792.4494 NA PeJP NA NA +PJ036547 GTTKKKM C33H64N10O10S 792.4528 NA PeJP NA NA +PJ036548 ALLKYW C41H60N8O8 792.4534 NA PeJP NA NA +PJ036549 PPPVVVW C41H60N8O8 792.4535 NA PeJP NA NA +MJ094573 Factumycin; 31-Epimer, 29-Me ether C45H64N2O10 792.456096 NA MeJP NA NA +PJ036550 AALLKMF C38H64N8O8S 792.4568 NA PeJP NA NA +PJ036551 SQKKFR C35H60N12O9 792.4606 NA PeJP NA NA +MJ094574 Clavamine C35H60N12O9 792.460621 NA MeJP NA NA +PJ036552 SVLRRY C35H60N12O9 792.4607 NA PeJP NA NA +PJ036553 GKKKFW C40H60N10O7 792.4647 NA PeJP NA NA +MJ094575 3-Hydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-O-(3-O-acetyl-?-D-glucopyranosyl) ester C43H68O13 792.465992 NA MeJP NA NA +MJ094576 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-6-O-methyl-?-D-glucuronopyranoside] C43H68O13 792.465992 NA MeJP NA NA +PJ036554 VLKMFR C37H64N10O7S 792.468 NA PeJP NA NA +PJ036555 STTTKKK C33H64N10O12 792.4705 NA PeJP NA NA +PJ036556 KKKKMM C34H68N10O7S2 792.4714 NA PeJP NA NA +PJ036557 PQKKHR C34H60N14O8 792.4719 NA PeJP NA NA +PJ036558 LLKKEY C38H64N8O10 792.4746 NA PeJP NA NA +PJ036559 TLLKRY C37H64N10O9 792.4858 NA PeJP NA NA +HMDB10599 PG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C44H73O10P 792.494141 NA HMDB2010 NA NA +HMDB10670 PG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) C44H73O10P 792.494141 NA HMDB2010 NA NA +HMDB10685 PG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) C44H73O10P 792.494141 NA HMDB2010 NA NA +PJ036560 AKKKRY C36H64N12O8 792.497 NA PeJP NA NA +MJ094577 Antibiotic 211-603 C44H72O12 792.502377 NA MeJP NA NA +MJ094578 Macrotetrolide D C44H72O12 792.502377 NA MeJP NA NA +MJ094579 Tetranactin C44H72O12 792.502377 NA MeJP NA NA +C06764 Tetranactin C44H72O12 792.5024 NA KEGG NA NA +PJ036561 VLLHRR C35H64N14O7 792.5083 NA PeJP NA NA +PJ036562 PPLLLLQ C39H68N8O9 792.511 NA PeJP NA NA +PJ036563 VKKKKY C38H68N10O8 792.5222 NA PeJP NA NA +PJ036564 PPLLLLK C40H72N8O8 792.5473 NA PeJP NA NA +EUR1048 SM(d18:0/18:0) [M-H+acetate]- C41H85N2O6P 792.635626 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1048 SM(d18:0/18:0) [M-H+acetate]- C41H85N2O6P 792.635626 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1048 SM(d18:0/18:0) [M-H+acetate]- C41H85N2O6P 792.635626 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1048 SM(d18:0/18:0) [M-H+acetate]- C41H85N2O6P 792.635626 masses lipides attendues Inhousejuil11 NA NA +MJ094580 20(29)-Lupen-3-ol, (2,2-Dimethyl-6-pentadecyl-1,3-dioxane-4-acetyl) C53H92O4 792.699561 NA MeJP NA NA +MJ094581 20(29)-Lupen-3-ol, 3-Hydroxytetracosanoyl C54H96O3 792.735946 NA MeJP NA NA +MJ094582 3-Hexadecyloxy-1,2-propanediol, Dihexadecanoyl C51H100O5 792.757076 NA MeJP NA NA +HMDB07818 DG(24:0/24:0/0:0) C51H100O5 792.75708 NA HMDB2010 NA NA +MJ094583 1,2-Bis-O-(3,7,11,15,19-pentamethyleicosyl)glycerol C53H108O3 792.829847 NA MeJP NA NA +PJ036565 CCCCCEM C25H43N7O10S6 793.1396 NA PeJP NA NA +PJ036566 PCCCCCY C29H43N7O9S5 793.1726 NA PeJP NA NA +PJ036567 TCCCCMM C26H47N7O9S6 793.176 NA PeJP NA NA +PJ036568 GCCCDMY C29H43N7O11S4 793.1904 NA PeJP NA NA +PJ036569 SCCDDDH C27H39N9O15S2 793.2007 NA PeJP NA NA +PJ036570 PCCCCEH C28H43N9O10S4 793.2016 NA PeJP NA NA +PJ036571 PCDDDDD C28H39N7O18S 793.2073 NA PeJP NA NA +PJ036572 SSCCCEY C29H43N7O13S3 793.2081 NA PeJP NA NA +PJ036573 GCCCMMF C30H47N7O8S5 793.209 NA PeJP NA NA +PJ036574 GCCDEMH C28H43N9O12S3 793.2194 NA PeJP NA NA +PJ036575 GCCCDFF C33H43N7O10S3 793.2234 NA PeJP NA NA +PJ036576 GDDDDEE C28H39N7O20 793.225 NA PeJP NA NA +PJ036577 GSCCMMY C30H47N7O10S4 793.2267 NA PeJP NA NA +PJ036578 VTCCCCY C30H47N7O10S4 793.2268 NA PeJP NA NA +PJ036579 SCCCNQH C27H43N11O11S3 793.2306 NA PeJP NA NA +PJ036580 CCDMHW C32H43N9O9S3 793.2346 NA PeJP NA NA +PJ036581 SNNDDDD C27H39N9O19 793.2362 NA PeJP NA NA +PJ036582 GGSNDDDD C27H39N9O19 793.2363 NA PeJP NA NA +PJ036583 SSCDDMH C28H43N9O14S2 793.2371 NA PeJP NA NA +PJ036584 PTCCCMH C29H47N9O9S4 793.238 NA PeJP NA NA +PJ036585 DDDDEW C32H39N7O17 793.2403 NA PeJP NA NA +PJ036586 CCNEYY C33H43N7O12S2 793.2411 NA PeJP NA NA +PJ036587 SPDDDDM C29H43N7O17S 793.2436 NA PeJP NA NA +PJ036588 PTCDDDE C29H43N7O17S 793.2437 NA PeJP NA NA +PJ036589 SSTCCMY C30H47N7O12S3 793.2445 NA PeJP NA NA +PJ036590 GSSSCCNH C27H43N11O13S2 793.2484 NA PeJP NA NA +PJ036591 GPCCNDW C32H43N9O11S2 793.2524 NA PeJP NA NA +PJ036592 GNNDDEM C28H43N9O16S 793.2549 NA PeJP NA NA +PJ036593 GSCEMMH C29H47N9O11S3 793.2557 NA PeJP NA NA +PJ036594 VTCCCEH C29H47N9O11S3 793.2558 NA PeJP NA NA +PJ036595 GCCYYW C37H43N7O9S2 793.2564 NA PeJP NA NA +PJ036596 GSSCDYY C33H43N7O14S 793.2589 NA PeJP NA NA +PJ036597 CCQMFY C34H47N7O9S3 793.2598 NA PeJP NA NA +PJ036598 GSDEEEE C29H43N7O19 793.2614 NA PeJP NA NA +PJ036599 GPDDEMM C30H47N7O14S2 793.2623 NA PeJP NA NA +PJ036600 GCCNNHF C31H43N11O10S2 793.2636 NA PeJP NA NA +PJ036601 GCNDDDR C27H43N11O15S 793.2661 NA PeJP NA NA +PJ036602 SCCCNKH C28H47N11O10S3 793.267 NA PeJP NA NA +PJ036603 NNDDMW C32H43N9O13S 793.2701 NA PeJP NA NA +PJ036604 GGGGDDMW C32H43N9O13S 793.2702 NA PeJP NA NA +PJ036605 SCMMHW C33H47N9O8S3 793.271 NA PeJP NA NA +PJ036606 SSNNDEE C28H43N9O18 793.2726 NA PeJP NA NA +PJ036607 GGGGSSDEE C28H43N9O18 793.2727 NA PeJP NA NA +PJ036608 SSSDMMH C29H47N9O13S2 793.2735 NA PeJP NA NA +PJ036609 NMMMMH C30H51N9O8S4 793.2744 NA PeJP NA NA +PJ036610 ASCCHHH C30H43N13O9S2 793.2748 NA PeJP NA NA +PJ036611 GTCCHHH C30H43N13O9S2 793.2749 NA PeJP NA NA +PJ036612 SDEEEW C33H43N7O16 793.2767 NA PeJP NA NA +PJ036613 PDDMMW C34H47N7O11S2 793.2775 NA PeJP NA NA +PJ036614 QEEEEM C30H47N7O16S 793.28 NA PeJP NA NA +PJ036615 SPPCEMM C31H51N7O11S3 793.2809 NA PeJP NA NA +PJ036616 GSCNNNW C31H43N11O12S 793.2814 NA PeJP NA NA +PJ036617 GSSSNNND C27H43N11O17 793.2839 NA PeJP NA NA +MJ094584 Clivimine C43H43N3O12 793.284673 NA MeJP NA NA +PJ036618 SPCCNDR C28H47N11O12S2 793.2847 NA PeJP NA NA +PJ036619 GGSPCCDR C28H47N11O12S2 793.2848 NA PeJP NA NA +PJ036620 GCNEWW C36H43N9O10S 793.2854 NA PeJP NA NA +PJ036621 GSSNDEW C32H43N9O15 793.2879 NA PeJP NA NA +PJ036622 GSPCNMW C33H47N9O10S2 793.2888 NA PeJP NA NA +PJ036623 DDEEMR C29H47N9O15S 793.2913 NA PeJP NA NA +PJ036624 PDDDFW C37H43N7O13 793.2919 NA PeJP NA NA +PJ036625 GSTMMMH C30H51N9O10S3 793.2921 NA PeJP NA NA +PJ036626 GGGGGPMMM C30H51N9O10S3 793.2922 NA PeJP NA NA +PJ036627 SSSCHHH C30H43N13O11S 793.2926 NA PeJP NA NA +PJ036628 CCQFFF C38H47N7O8S2 793.2928 NA PeJP NA NA +MJ094585 Capensolactone 3 C41H47NO15 793.294569 NA MeJP NA NA +PJ036629 AEEEMW C34H47N7O13S 793.2953 NA PeJP NA NA +PJ036630 GCCNNQR C27H47N13O11S2 793.296 NA PeJP NA NA +PJ036631 CCKMFY C35H51N7O8S3 793.2962 NA PeJP NA NA +PJ036632 PCDHHW C35H43N11O9S 793.2966 NA PeJP NA NA +PJ036633 GTTEEEE C30H47N7O18 793.2978 NA PeJP NA NA +PJ036634 GPTEEMM C31H51N7O13S2 793.2987 NA PeJP NA NA +PJ036635 GNNNNDF C31H43N11O14 793.2991 NA PeJP NA NA +PJ036636 GGGGGGGNDF C31H43N11O14 793.2992 NA PeJP NA NA +PJ036637 GPPMMMM C32H55N7O8S4 793.2995 NA PeJP NA NA +PJ036638 CCEHFR C32H47N11O9S2 793.3 NA PeJP NA NA +PJ036639 CNWWW C40H43N9O7S 793.3006 NA PeJP NA NA +PJ036640 GGCWWW C40H43N9O7S 793.3007 NA PeJP NA NA +PJ036641 GSNDDMR C28H47N11O14S 793.3025 NA PeJP NA NA +PJ036642 SSNDWW C36H43N9O12 793.3031 NA PeJP NA NA +PJ036643 GGSSDWW C36H43N9O12 793.3032 NA PeJP NA NA +PJ036644 GPCCQMR C29H51N11O9S3 793.3034 NA PeJP NA NA +PJ036645 ACMHFW C37H47N9O7S2 793.304 NA PeJP NA NA +PJ036646 SNQEMW C33H47N9O12S 793.3065 NA PeJP NA NA +PJ036647 CNHHHF C34H43N13O8S 793.3079 NA PeJP NA NA +PJ036648 SSSQQEE C29H47N9O17 793.309 NA PeJP NA NA +PJ036649 SSTTMMH C30H51N9O12S2 793.3099 NA PeJP NA NA +PJ036650 DDDHHR C30H43N13O13 793.3104 NA PeJP NA NA +PJ036651 PPCEYW C38H47N7O10S 793.3105 NA PeJP NA NA +PJ036652 TTEEEW C34H47N7O15 793.313 NA PeJP NA NA +PJ036653 GAPEEEY C34H47N7O15 793.3131 NA PeJP NA NA +PJ036654 SSCNNNR C27H47N13O13S 793.3137 NA PeJP NA NA +PJ036655 GGGGGGSSCR C27H47N13O13S 793.3138 NA PeJP NA NA +PJ036656 PTEMMW C35H51N7O10S2 793.3139 NA PeJP NA NA +PJ036657 GEEHHW C35H43N11O11 793.3144 NA PeJP NA NA +PJ036658 GPCCCRR C28H51N13O8S3 793.3146 NA PeJP NA NA +PJ036659 KEEEEM C31H51N7O15S 793.3164 NA PeJP NA NA +PJ036660 GPVEMMM C32H55N7O10S3 793.3173 NA PeJP NA NA +PJ036661 SCNERW C32H47N11O11S 793.3177 NA PeJP NA NA +PJ036662 GGSCERW C32H47N11O11S 793.3178 NA PeJP NA NA +PJ036663 SSTNDDR C28H47N11O16 793.3202 NA PeJP NA NA +PJ036664 SSSNDER C28H47N11O16 793.3203 NA PeJP NA NA +PJ036665 NNEMMR C29H51N11O11S2 793.3211 NA PeJP NA NA +PJ036666 GGGGGGACKM C29H51N11O11S2 793.3212 NA PeJP NA NA +PJ036667 GSQMWW C37H47N9O9S 793.3218 NA PeJP NA NA +PJ036668 GSSTQEW C33H47N9O14 793.3243 NA PeJP NA NA +PJ036669 AQQMMW C34H51N9O9S2 793.3251 NA PeJP NA NA +PJ036670 GGVNMMW C34H51N9O9S2 793.3252 NA PeJP NA NA +PJ036671 SNNHHW C34H43N13O10 793.3256 NA PeJP NA NA +PJ036672 TEEEMR C30H51N9O14S 793.3276 NA PeJP NA NA +PJ036673 GGGSKEEM C30H51N9O14S 793.3277 NA PeJP NA NA +PJ036674 APEEYW C38H47N7O12 793.3283 NA PeJP NA NA +PJ036675 PEMMMR C31H55N9O9S3 793.3285 NA PeJP NA NA +PJ036676 NQQMHH C31H47N13O10S 793.329 NA PeJP NA NA +PJ036677 CCKFFF C39H51N7O7S2 793.3292 NA PeJP NA NA +PJ036678 EHHWW C39H43N11O8 793.3296 NA PeJP NA NA +PJ036679 SLEEMW C35H51N7O12S 793.3317 NA PeJP NA NA +PJ036680 CNDMRR C28H51N13O10S2 793.3324 NA PeJP NA NA +PJ036681 PVMMMW C36H55N7O7S3 793.3325 NA PeJP NA NA +PJ036682 GSCRWW C36H47N11O8S 793.333 NA PeJP NA NA +PJ036683 SSTLEEE C31H51N7O17 793.3342 NA PeJP NA NA +PJ036684 GVVEEMM C32H55N7O12S2 793.335 NA PeJP NA NA +PJ036685 AALEEMM C32H55N7O12S2 793.3351 NA PeJP NA NA +PJ036686 GSSSDRW C32H47N11O13 793.3355 NA PeJP NA NA +PJ036687 GNMMRW C33H51N11O8S2 793.3364 NA PeJP NA NA +CJneg0654 Phenylacetylglutamine [(3M-H)]- (13C) C3813CH47N6O12 793.336925 C18rt(min)=5.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0654 Phenylacetylglutamine [(3M-H)]- (13C) C3813CH47N6O12 793.336925 C18rt(min)=5.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +PJ036688 GSSQEMR C29H51N11O13S 793.3389 NA PeJP NA NA +PJ036689 SSTQWW C37H47N9O11 793.3395 NA PeJP NA NA +PJ036690 GGGAAEFW C37H47N9O11 793.3396 NA PeJP NA NA +PJ036691 GPCCKMR C30H55N11O8S3 793.3398 NA PeJP NA NA +PJ036692 CNQHHR C30H47N15O9S 793.3402 NA PeJP NA NA +PJ036693 SNKEMW C34H51N9O11S 793.3429 NA PeJP NA NA +PJ036694 GNFFFY C42H47N7O9 793.3436 NA PeJP NA NA +PJ036695 SSSQKEE C30H51N9O16 793.3454 NA PeJP NA NA +PJ036696 VEEMMR C31H55N9O11S2 793.3463 NA PeJP NA NA +PJ036697 NNNNRY C31H47N13O12 793.3467 NA PeJP NA NA +PJ036698 GGGGNNRY C31H47N13O12 793.3468 NA PeJP NA NA +PJ036699 PPTMYW C39H51N7O9S 793.3469 NA PeJP NA NA +PJ036700 ACCRRW C32H51N13O7S2 793.3476 NA PeJP NA NA +PJ036701 PKEEEY C35H51N7O14 793.3494 NA PeJP NA NA +PJ036702 GSSCERR C28H51N13O12S 793.3501 NA PeJP NA NA +PJ036703 VVEMMW C36H55N7O9S2 793.3503 NA PeJP NA NA +PJ036704 GNDFRW C36H47N11O10 793.3508 NA PeJP NA NA +PJ036705 ATTLEEM C32H55N7O14S 793.3528 NA PeJP NA NA +PJ036706 APTLMMM C33H59N7O9S3 793.3537 NA PeJP NA NA +PJ036707 SSQMRW C33H51N11O10S 793.3541 NA PeJP NA NA +PJ036708 GGGGPMRY C33H51N11O10S 793.3542 NA PeJP NA NA +PJ036709 QQFWW C41H47N9O8 793.3548 NA PeJP NA NA +PJ036710 SSSTQER C29H51N11O15 793.3566 NA PeJP NA NA +PJ036711 GGGGGSSSTK C29H51N11O15 793.3567 NA PeJP NA NA +PJ036712 NDKMMR C30H55N11O10S2 793.3575 NA PeJP NA NA +PJ036713 GSSNHHR C30H47N15O11 793.358 NA PeJP NA NA +PJ036714 GSKMWW C38H51N9O8S 793.3582 NA PeJP NA NA +PJ036715 SSSSLQW C34H51N9O13 793.3606 NA PeJP NA NA +PJ036716 GSSTKEW C34H51N9O13 793.3607 NA PeJP NA NA +PJ036717 AQKMMW C35H55N9O8S2 793.3615 NA PeJP NA NA +PJ036718 GSDKKEM C31H55N9O13S 793.364 NA PeJP NA NA +PJ036719 SPLEYW C39H51N7O11 793.3647 NA PeJP NA NA +PJ036720 GPCKKMM C32H59N9O8S3 793.3649 NA PeJP NA NA +PJ036721 SSCRRW C32H51N13O9S 793.3654 NA PeJP NA NA +PJ036722 APHHFW C40H47N11O7 793.366 NA PeJP NA NA +PJ036723 SSSSDRR C28H51N13O14 793.3679 NA PeJP NA NA +PJ036724 SSPPLMY C36H55N7O11S 793.368 NA PeJP NA NA +PJ036725 AAPLEMY C36H55N7O11S 793.3681 NA PeJP NA NA +PJ036726 SNMMRR C29H55N13O9S2 793.3687 NA PeJP NA NA +PJ036727 GGSMMRR C29H55N13O9S2 793.3688 NA PeJP NA NA +PJ036728 ALMHHW C37H51N11O7S 793.3694 NA PeJP NA NA +PJ036729 TTTTLEE C32H55N7O16 793.3705 NA PeJP NA NA +PJ036730 GTLLEMM C33H59N7O11S2 793.3714 NA PeJP NA NA +PJ036731 GSSTTRW C33H51N11O12 793.3719 NA PeJP NA NA +PJ036732 ACKMRW C34H55N11O7S2 793.3728 NA PeJP NA NA +PJ036733 VQHHHH C34H47N15O8 793.3732 NA PeJP NA NA +PJ036734 GGLHHHH C34H47N15O8 793.3733 NA PeJP NA NA +PJ036735 GSSKEMR C30H55N11O12S 793.3753 NA PeJP NA NA +PJ036736 SSTKWW C38H51N9O10 793.3759 NA PeJP NA NA +PJ036737 CNKHHR C31H51N15O8S 793.3766 NA PeJP NA NA +PJ036738 SDKKMW C35H55N9O10S 793.3793 NA PeJP NA NA +PJ036739 PPTFFW C43H51N7O8 793.3799 NA PeJP NA NA +PJ036740 TCCRRR C28H55N15O8S2 793.38 NA PeJP NA NA +PJ036741 SSSKKEE C31H55N9O15 793.3818 NA PeJP NA NA +PJ036742 QKKEMM C32H59N9O10S2 793.3827 NA PeJP NA NA +PJ036743 GNERRY C32H51N13O11 793.3831 NA PeJP NA NA +PJ036744 GGAAPEHR C32H51N13O11 793.3832 NA PeJP NA NA +PJ036745 PVVMYW C40H55N7O8S 793.3833 NA PeJP NA NA +PJ036746 AHHHHR C33H47N17O7 793.3845 NA PeJP NA NA +PJ036747 LLQEEY C36H55N7O13 793.3858 NA PeJP NA NA +PJ036748 GSSTMRR C29H55N13O11S 793.3865 NA PeJP NA NA +PJ036749 TLLMMW C37H59N7O8S2 793.3867 NA PeJP NA NA +PJ036750 STHFFR C37H51N11O9 793.3871 NA PeJP NA NA +PJ036751 AAQRYW C37H51N11O9 793.3872 NA PeJP NA NA +PJ036752 STTLLEM C33H59N7O13S 793.3892 NA PeJP NA NA +PJ036753 GVLLMMM C34H63N7O8S3 793.3901 NA PeJP NA NA +PJ036754 SSKMRW C34H55N11O9S 793.3905 NA PeJP NA NA +PJ036755 QKFWW C42H51N9O7 793.3912 NA PeJP NA NA +PJ036756 SSSTKER C30H55N11O14 793.393 NA PeJP NA NA +PJ036757 TQKMMR C31H59N11O9S2 793.3939 NA PeJP NA NA +PJ036758 PNDHRR C31H51N15O10 793.3944 NA PeJP NA NA +PJ036759 PPMFFR C39H55N9O7S 793.3946 NA PeJP NA NA +PJ036760 SSSSLKW C35H55N9O12 793.397 NA PeJP NA NA +PJ036761 VVEERY C35H55N9O12 793.3971 NA PeJP NA NA +PJ036762 AKKMMW C36H59N9O7S2 793.3979 NA PeJP NA NA +PJ036763 NRRYW C36H51N13O8 793.3984 NA PeJP NA NA +PJ036764 GTTKKEM C32H59N9O12S 793.4004 NA PeJP NA NA +PJ036765 ALLEYW C40H55N7O10 793.4011 NA PeJP NA NA +PJ036766 LLMMMR C33H63N9O7S3 793.4013 NA PeJP NA NA +PJ036767 GQMFRR C33H55N13O8S 793.4018 NA PeJP NA NA +PJ036768 SSSTTRR C29H55N13O13 793.4042 NA PeJP NA NA +PJ036769 GPTLLMY C37H59N7O10S 793.4044 NA PeJP NA NA +PJ036770 GVVLEMF C37H59N7O10S 793.4045 NA PeJP NA NA +PJ036771 TCKMRR C30H59N13O8S2 793.4051 NA PeJP NA NA +PJ036772 SSLLLMM C34H63N7O10S2 793.4078 NA PeJP NA NA +PJ036773 AQKERY C34H55N11O11 793.4083 NA PeJP NA NA +PJ036774 VKHHHH C35H51N15O7 793.4096 NA PeJP NA NA +PJ036775 GTTTKMR C31H59N11O11S 793.4116 NA PeJP NA NA +PJ036776 GGSSCKKK C31H59N11O11S 793.4117 NA PeJP NA NA +PJ036777 GLQKYW C39H55N9O9 793.4123 NA PeJP NA NA +PJ036778 GCFRRR C32H55N15O7S 793.413 NA PeJP NA NA +PJ036779 TTKKMW C36H59N9O9S 793.4157 NA PeJP NA NA +PJ036780 PVVFFW C44H55N7O7 793.4163 NA PeJP NA NA +PJ036781 STTTKKE C32H59N9O14 793.4182 NA PeJP NA NA +PJ036782 ASVKKMM C33H63N9O9S2 793.419 NA PeJP NA NA +PJ036783 KKKEMM C33H63N9O9S2 793.4191 NA PeJP NA NA +PJ036784 GDKRRY C33H55N13O10 793.4195 NA PeJP NA NA +PJ036785 VVLMFW C41H59N7O7S 793.4197 NA PeJP NA NA +PJ036786 LLKEEY C37H59N7O12 793.4222 NA PeJP NA NA +PJ036787 AAKRYW C38H55N11O8 793.4235 NA PeJP NA NA +PJ036788 GGPLKHW C38H55N11O8 793.4236 NA PeJP NA NA +MJ094586 Germine; O3-(2S,3R)-2-Hydroxy-2-methyl-3-acetoxybutanoyl, O15-(R)-2-methylbutanoyl, O7-Ac C41H63NO14 793.424855 NA MeJP NA NA +MJ094587 Protoverine; O6,O7-Di-Ac, O15-(R)-2-methylbutanoyl, O3-(+)-2-hydroxy-2-methylbutanoyl C41H63NO14 793.424855 NA MeJP NA NA +C10815 Protoveratrine A C41H63NO14 793.4249 NA KEGG NA NA +PJ036789 PCKKRY C35H59N11O8S 793.4269 NA PeJP NA NA +PJ036790 KKFWW C43H55N9O6 793.4276 NA PeJP NA NA +PJ036791 STTTTKR C31H59N11O13 793.4294 NA PeJP NA NA +PJ036792 TKKMMR C32H63N11O8S2 793.4303 NA PeJP NA NA +PJ036793 GSRRRY C32H55N15O9 793.4308 NA PeJP NA NA +PJ036794 TLLERY C36H59N9O11 793.4334 NA PeJP NA NA +PJ036795 GGPPPLKE C36H59N9O11 793.4335 NA PeJP NA NA +PJ036796 APKHRW C37H55N13O7 793.4348 NA PeJP NA NA +PJ036797 SSTLKKM C33H63N9O11S 793.4368 NA PeJP NA NA +MJ094588 Anabaenopeptin J C41H59N7O9 793.437426 NA MeJP NA NA +PJ036798 SLLLYW C41H59N7O9 793.4375 NA PeJP NA NA +PJ036799 GKMFRR C34H59N13O7S 793.4382 NA PeJP NA NA +PJ036800 AALLLMY C38H63N7O9S 793.4408 NA PeJP NA NA +PJ036801 AKKERY C35H59N11O10 793.4447 NA PeJP NA NA +MJ094589 Candihexin; Candihexin E C38H67NO16 793.445985 NA MeJP NA NA +C15762 Onnamide A C39H63N5O12 793.4473 NA KEGG NA NA +PJ036802 GLKKYW C40H59N9O8 793.4487 NA PeJP NA NA +PJ036803 VLLMRY C37H63N9O8S 793.4521 NA PeJP NA NA +PJ036804 ATKRRY C34H59N13O9 793.4559 NA PeJP NA NA +2624 synthetic fr,of human beta-CN (62-68) ACE inhibitor LPQNILP 793.4569 NA Inhouse_peptide NA peptide +PJ036805 ATTLLLY C38H63N7O11 793.4586 NA PeJP NA NA +PJ036806 PVKKHW C39H59N11O7 793.4599 NA PeJP NA NA +MJ094590 Kulolide 1 C43H63N5O9 793.462578 NA MeJP NA NA +PJ036807 CLKKFR C36H63N11O7S 793.4633 NA PeJP NA NA +PJ036808 PTKHRR C33H59N15O8 793.4671 NA PeJP NA NA +PJ036809 VKKKEY C37H63N9O10 793.4698 NA PeJP NA NA +PJ036810 AALLLFF C42H63N7O8 793.4739 NA PeJP NA NA +PJ036811 GLHRRR C32H59N17O7 793.4784 NA PeJP NA NA +PJ036812 SLKKRY C36H63N11O9 793.4811 NA PeJP NA NA +PJ036813 LLLLHW C41H63N9O7 793.4851 NA PeJP NA NA +PJ036814 LKKKMF C38H67N9O7S 793.4884 NA PeJP NA NA +PJ036815 GPPVLRR C35H63N13O8 793.4923 NA PeJP NA NA +PJ036816 PPLLLLE C39H67N7O10 793.495 NA PeJP NA NA +PJ036817 PPLRRR C34H63N15O7 793.5035 NA PeJP NA NA +PJ036818 SVLLLLH C38H67N9O9 793.5062 NA PeJP NA NA +PJ036819 APPLLKR C37H67N11O8 793.5174 NA PeJP NA NA +PJ036820 LLKKHR C36H67N13O7 793.5287 NA PeJP NA NA +PJ036821 PPVLLKK C39H71N9O8 793.5426 NA PeJP NA NA +HMDB07956 PC(15:0/22:5(4Z,7Z,10Z,13Z,16Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB07957 PC(15:0/22:5(7Z,10Z,13Z,16Z,19Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB08658 PC(22:5(4Z,7Z,10Z,13Z,16Z)/15:0) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB08691 PC(22:5(7Z,10Z,13Z,16Z,19Z)/15:0) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09010 PE(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09011 PE(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09042 PE(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09075 PE(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09140 PE(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09173 PE(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09205 PE(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09236 PE(20:0/20:5(5Z,8Z,11Z,14Z,17Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09267 PE(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09268 PE(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09298 PE(20:2(11Z,14Z)/20:3(5Z,8Z,11Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09299 PE(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09330 PE(20:3(5Z,8Z,11Z)/20:2(11Z,14Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09363 PE(20:3(8Z,11Z,14Z)/20:2(11Z,14Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09395 PE(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09428 PE(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09460 PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:0) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09525 PE(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09556 PE(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09557 PE(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09586 PE(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09587 PE(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09618 PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:0) C45H80NO8P 793.562134 NA HMDB2010 NA NA +HMDB09651 PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:0) C45H80NO8P 793.562134 NA HMDB2010 NA NA +EUR1001 PC 38:5 [M-H-CH3]- C46H82NO8P 793.562157 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1001 PC 38:5 [M-H-CH3]- C46H82NO8P 793.562157 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1001 PC 38:5 [M-H-CH3]- C46H82NO8P 793.562157 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1001 PC 38:5 [M-H-CH3]- C46H82NO8P 793.562157 masses lipides attendues Inhousejuil11 NA NA +PJ036822 PLLLLLL C41H75N7O8 793.5677 NA PeJP NA NA +PJ036823 PILLLLL C41H75N7O8 793.5678 NA PeJP NA NA +HMDB08392 PC(20:3(5Z,8Z,11Z)/P-18:1(11Z)) C46H84NO7P 793.598511 NA HMDB2010 NA NA +HMDB08393 PC(20:3(5Z,8Z,11Z)/P-18:1(9Z)) C46H84NO7P 793.598511 NA HMDB2010 NA NA +HMDB08424 PC(20:3(8Z,11Z,14Z)/P-18:1(11Z)) C46H84NO7P 793.598511 NA HMDB2010 NA NA +HMDB08425 PC(20:3(8Z,11Z,14Z)/P-18:1(9Z)) C46H84NO7P 793.598511 NA HMDB2010 NA NA +HMDB08456 PC(20:4(5Z,8Z,11Z,14Z)/P-18:0) C46H84NO7P 793.598511 NA HMDB2010 NA NA +HMDB08489 PC(20:4(8Z,11Z,14Z,17Z)/P-18:0) C46H84NO7P 793.598511 NA HMDB2010 NA NA +HMDB08652 PC(22:4(7Z,10Z,13Z,16Z)/P-16:0) C46H84NO7P 793.598511 NA HMDB2010 NA NA +HMDB11226 PC(P-16:0/22:4(7Z,10Z,13Z,16Z)) C46H84NO7P 793.598511 NA HMDB2010 NA NA +HMDB11253 PC(P-18:0/20:4(5Z,8Z,11Z,14Z)) C46H84NO7P 793.598511 NA HMDB2010 NA NA +HMDB11254 PC(P-18:0/20:4(8Z,11Z,14Z,17Z)) C46H84NO7P 793.598511 NA HMDB2010 NA NA +HMDB11284 PC(P-18:1(11Z)/20:3(5Z,8Z,11Z)) C46H84NO7P 793.598511 NA HMDB2010 NA NA +HMDB11285 PC(P-18:1(11Z)/20:3(8Z,11Z,14Z)) C46H84NO7P 793.598511 NA HMDB2010 NA NA +HMDB11317 PC(P-18:1(9Z)/20:3(5Z,8Z,11Z)) C46H84NO7P 793.598511 NA HMDB2010 NA NA +HMDB11318 PC(P-18:1(9Z)/20:3(8Z,11Z,14Z)) C46H84NO7P 793.598511 NA HMDB2010 NA NA +HMDB11450 PE(P-18:1(9Z)/20:3(8Z,11Z,14Z)) C46H84NO7P 793.598511 NA HMDB2010 NA NA +HMDB13432 PC(o-18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C46H84NO7P 793.598511 NA HMDB2010 NA NA +MJ094591 Hexafuhalol A C36H26O21 794.096657 NA MeJP NA NA +MJ094592 Hexafuhalol B C36H26O21 794.096657 NA MeJP NA NA +MJ094593 Pseudohexafuhalol A C36H26O21 794.096657 NA MeJP NA NA +MJ094594 Pseudohexafuhalol B C36H26O21 794.096657 NA MeJP NA NA +MJ094595 Pseudohexafuhalol C C36H26O21 794.096657 NA MeJP NA NA +HMDB06858 Acyl-CoA C22H35N7O17P3S 794.10229 http://www.hmdb.ca/metabolites/HMDB06858 HMDB NA NA +HMDB06858 Acyl-CoA C22H35N7O17P3S 794.10229 HMDB06858 PFEM_hmdb_metabocards_official NA NA +PJ036824 GTCCCCCC C24H42N8O10S6 794.1349 NA PeJP NA NA +PJ036825 SSSCCCCC C24H42N8O12S5 794.1526 NA PeJP NA NA +PJ036826 CCCCCNF C28H42N8O9S5 794.1679 NA PeJP NA NA +PJ036827 SCCCCNY C28H42N8O11S4 794.1856 NA PeJP NA NA +FL5FAGGS0036 Myricetin 3-(3'''-6'''-diacetylglucosyl)-(1->4)-(2'',3''-diacetylrhamnoside) C35H38O21 794.19055 - knapsack NA NA +PJ036828 SCCCNEH C27H42N10O12S3 794.2146 NA PeJP NA NA +PJ036829 SNDDDDD C27H38N8O20 794.2203 NA PeJP NA NA +PJ036830 PCCNDDE C28H42N8O15S2 794.2211 NA PeJP NA NA +PJ036831 GGPCCDDE C28H42N8O15S2 794.2212 NA PeJP NA NA +PJ036832 CCDEYY C33H42N6O13S2 794.2252 NA PeJP NA NA +MJ094596 1,2,4-Benzenetriol; 2-Me ether, 1-O-[4-hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside], 4-O-[4-hydroxy-3,5-dimethoxybenzoyl-(?6)-?-D-glucopyranoside] C36H42O20 794.226943 NA MeJP NA NA +MJ094597 Plumieride; 13-O-[?-D-Glucopyranosyl-(1?4)-3,4-dihydroxycinnamoyl] C36H42O20 794.226943 NA MeJP NA NA +PJ036833 GSCCCHW C31H42N10O9S3 794.2299 NA PeJP NA NA +PJ036834 GSSSCCDH C27H42N10O14S2 794.2324 NA PeJP NA NA +PJ036835 GCCNMMH C28H46N10O9S4 794.2332 NA PeJP NA NA +PJ036836 GGGCCMMH C28H46N10O9S4 794.2333 NA PeJP NA NA +PJ036837 GPCCDDW C32H42N8O12S2 794.2364 NA PeJP NA NA +PJ036838 GNDDDEM C28H42N8O17S 794.2389 NA PeJP NA NA +PJ036839 GSPPCCCE C29H46N8O12S3 794.2398 NA PeJP NA NA +PJ036840 CCNNNNN C26H42N12O13S2 794.2436 NA PeJP NA NA +PJ036841 CCEMFY C34H46N6O10S3 794.2438 NA PeJP NA NA +PJ036842 ACCCCHR C27H46N12O8S4 794.2445 NA PeJP NA NA +PJ036843 GCCNDHF C31H42N10O11S2 794.2476 NA PeJP NA NA +PJ036844 GCDDDDR C27H42N10O16S 794.2501 NA PeJP NA NA +PJ036845 GGGGGGSCDE C27H42N10O16S 794.2502 NA PeJP NA NA +PJ036846 SSCCQMH C28H46N10O11S3 794.251 NA PeJP NA NA +PJ036847 NDDDMW C32H42N8O14S 794.2542 NA PeJP NA NA +PJ036848 SPPCCCW C33H46N8O9S3 794.255 NA PeJP NA NA +PJ036849 SSNDDEE C28H42N8O19 794.2566 NA PeJP NA NA +PJ036850 GGSSDDEE C28H42N8O19 794.2567 NA PeJP NA NA +PJ036851 SPCNDEM C29H46N8O14S2 794.2575 NA PeJP NA NA +PJ036852 DMMMMH C30H50N8O9S4 794.2584 NA PeJP NA NA +PJ036853 SCEMYY C34H46N6O12S2 794.2615 NA PeJP NA NA +PJ036854 SSCCCHR C27H46N12O10S3 794.2622 NA PeJP NA NA +FL5FAAGI0009 Epimedoside D C37H46O19 794.26332 39049-18-8 knapsack NA NA +FL5FAAGI0010 Epimedoside E C37H46O19 794.26332 39049-19-9 knapsack NA NA +MJ094598 3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C37H46O19 794.263329 NA MeJP NA NA +MJ094599 3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside], 7-O-?-D-glucopyranoside C37H46O19 794.263329 NA MeJP NA NA +PJ036855 EEEEEM C30H46N6O17S 794.2641 NA PeJP NA NA +PJ036856 GSCNNDW C31H42N10O13S 794.2654 NA PeJP NA NA +PJ036857 GSSSNNDD C27H42N10O18 794.2679 NA PeJP NA NA +PJ036858 ACCNQQE C28H46N10O13S2 794.2687 NA PeJP NA NA +PJ036859 SPCCDDR C28H46N10O13S2 794.2688 NA PeJP NA NA +PJ036860 GCDEWW C36H42N8O11S 794.2694 NA PeJP NA NA +PJ036861 ACCCKMH C29H50N10O8S4 794.2696 NA PeJP NA NA +PJ036862 GSSDDEW C32H42N8O16 794.2719 NA PeJP NA NA +PJ036863 GSPCDMW C33H46N8O11S2 794.2728 NA PeJP NA NA +PJ036864 GSNEEEM C29H46N8O16S 794.2753 NA PeJP NA NA +PJ036865 GDDYYY C37H42N6O14 794.2759 NA PeJP NA NA +PJ036866 GPNDMMM C30H50N8O11S3 794.2761 NA PeJP NA NA +PJ036867 GGGPDMMM C30H50N8O11S3 794.2762 NA PeJP NA NA +PJ036868 PCCFYY C38H46N6O9S2 794.2768 NA PeJP NA NA +PJ036869 CMMHHH C31H46N12O7S3 794.2775 NA PeJP NA NA +PJ036870 GCCNNER C27H46N12O12S2 794.28 NA PeJP NA NA +PJ036871 GMMMYY C35H50N6O9S3 794.2802 NA PeJP NA NA +PJ036872 GNNNDDF C31H42N10O15 794.2831 NA PeJP NA NA +PJ036873 GGGNNDDF C31H42N10O15 794.2832 NA PeJP NA NA +PJ036874 CNNQMW C32H46N10O10S2 794.284 NA PeJP NA NA +PJ036875 CDWWW C40H42N8O8S 794.2847 NA PeJP NA NA +PJ036876 GSDDDMR C28H46N10O15S 794.2865 NA PeJP NA NA +PJ036877 SSDDWW C36H42N8O13 794.2872 NA PeJP NA NA +PJ036878 GPCCEMR C29H50N10O10S3 794.2874 NA PeJP NA NA +PJ036879 GCNNNHH C29H42N14O11S 794.2879 NA PeJP NA NA +PJ036880 PTCCWW C37H46N8O8S2 794.288 NA PeJP NA NA +PJ036881 SNEEMW C33H46N8O13S 794.2905 NA PeJP NA NA +PJ036882 GGGPDDMF C33H46N8O13S 794.2906 NA PeJP NA NA +PJ036883 PCQMMW C34H50N8O8S3 794.2914 NA PeJP NA NA +PJ036884 CDHHHF C34H42N12O9S 794.2919 NA PeJP NA NA +PJ036885 SSSQEEE C29H46N8O18 794.293 NA PeJP NA NA +PJ036886 QQEEMM C30H50N8O13S2 794.2939 NA PeJP NA NA +PJ036887 GSNDEHH C30H42N12O14 794.2944 NA PeJP NA NA +PJ036888 SPCYYY C38H46N6O11S 794.2945 NA PeJP NA NA +PJ036889 GDMFYY C38H46N6O11S 794.2946 NA PeJP NA NA +PJ036890 CCNNRW C31H46N12O9S2 794.2952 NA PeJP NA NA +PJ036891 GGCCNRW C31H46N12O9S2 794.2953 NA PeJP NA NA +PJ036892 PEEEEY C34H46N6O16 794.2971 NA PeJP NA NA +PJ036893 SSCNNDR C27H46N12O14S 794.2977 NA PeJP NA NA +PJ036894 GGSSCNDR C27H46N12O14S 794.2978 NA PeJP NA NA +PJ036895 STMMYY C35H50N6O11S2 794.2979 NA PeJP NA NA +PJ036896 SCDERW C32H46N10O12S 794.3018 NA PeJP NA NA +PJ036897 PCCMRW C33H50N10O7S3 794.3026 NA PeJP NA NA +PJ036898 SSSDDER C28H46N10O17 794.3043 NA PeJP NA NA +PJ036899 NDEMMR C29H50N10O12S2 794.3051 NA PeJP NA NA +PJ036900 GGGGGTQMM C29H50N10O12S2 794.3052 NA PeJP NA NA +PJ036901 GSEMWW C37H46N8O10S 794.3058 NA PeJP NA NA +PJ036902 GSSTEEW C33H46N8O15 794.3083 NA PeJP NA NA +MJ094600 Dracoflavan A C49H46O10 794.309097 NA MeJP NA NA +PJ036903 AQEMMW C34H50N8O10S2 794.3092 NA PeJP NA NA +PJ036904 SNDHHW C34H42N12O11 794.3096 NA PeJP NA NA +PJ036905 GSDKEEM C30H50N8O15S 794.3117 NA PeJP NA NA +PJ036906 GTEYYY C38H46N6O13 794.3123 NA PeJP NA NA +PJ036907 GPTQMMM C31H54N8O10S3 794.3125 NA PeJP NA NA +PJ036908 NQEMHH C31H46N12O11S 794.313 NA PeJP NA NA +PJ036909 GMMFFY C39H50N6O8S2 794.3132 NA PeJP NA NA +PJ036910 CDDMRR C28H50N12O11S2 794.3164 NA PeJP NA NA +PJ036911 CNQHFF C36H46N10O9S 794.317 NA PeJP NA NA +PJ036912 SSSSNQW C32H46N10O14 794.3195 NA PeJP NA NA +PJ036913 GGGGGGAAEY C32H46N10O14 794.3196 NA PeJP NA NA +PJ036914 GDMMRW C33H50N10O9S2 794.3204 NA PeJP NA NA +PJ036915 SMWWW C41H46N8O7S 794.321 NA PeJP NA NA +PJ036916 GPCFWW C41H46N8O7S 794.3211 NA PeJP NA NA +PJ036917 GSSEEMR C29H50N10O14S 794.3229 NA PeJP NA NA +PJ036918 SSTEWW C37H46N8O12 794.3235 NA PeJP NA NA +PJ036919 GGSPEYW C37H46N8O12 794.3236 NA PeJP NA NA +PJ036920 GPTCMMR C30H54N10O9S3 794.3238 NA PeJP NA NA +PJ036921 CNEHHR C30H46N14O10S 794.3242 NA PeJP NA NA +MJ094601 Patellamide G C38H50N8O7S2 794.324387 NA MeJP NA NA +PJ036922 AAMMWW C38H50N8O7S2 794.3244 NA PeJP NA NA +PJ036923 SDKEMW C34H50N8O12S 794.3269 NA PeJP NA NA +PJ036924 TYYYW C42H46N6O10 794.3276 NA PeJP NA NA +PJ036925 PCKMMW C35H54N8O7S3 794.3278 NA PeJP NA NA +PJ036926 GQMHHW C35H46N12O8S 794.3283 NA PeJP NA NA +PJ036927 SSSKEEE C30H50N8O17 794.3294 NA PeJP NA NA +PJ036928 QKEEMM C31H54N8O12S2 794.3303 NA PeJP NA NA +PJ036929 NNNDRY C31H46N12O13 794.3308 NA PeJP NA NA +PJ036930 GVMYYY C39H50N6O10S 794.3309 NA PeJP NA NA +PJ036931 APCCKHH C32H50N12O8S2 794.3316 NA PeJP NA NA +PJ036932 NNHHHH C32H42N16O9 794.3321 NA PeJP NA NA +PJ036933 LEEEEF C35H50N6O15 794.3335 NA PeJP NA NA +PJ036934 SSSNNMR C28H50N12O13S 794.3341 NA PeJP NA NA +PJ036935 GNQQYW C36H46N10O11 794.3348 NA PeJP NA NA +CJneg0655 Phenylacetylglutamine [(3M-H)]- (18O) C39H47N6O1118O 794.337825 C18rt(min)=5.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0655 Phenylacetylglutamine [(3M-H)]- (18O) C39H47N6O1118O 794.337825 C18rt(min)=5.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +PJ036936 SSEMRW C33H50N10O11S 794.3381 NA PeJP NA NA +PJ036937 TTCERW C33H50N10O11S 794.3382 NA PeJP NA NA +PJ036938 GSPYWW C41H46N8O9 794.3388 NA PeJP NA NA +PJ036939 GCHHRW C34H46N14O7S 794.3395 NA PeJP NA NA +PJ036940 SSSTEER C29H50N10O16 794.3406 NA PeJP NA NA +PJ036941 GSSSSNKE C29H50N10O16 794.3407 NA PeJP NA NA +PJ036942 TQEMMR C30H54N10O11S2 794.3415 NA PeJP NA NA +PJ036943 GSSDHHR C30H46N14O12 794.342 NA PeJP NA NA +PJ036944 ATTMWW C38H50N8O9S 794.3422 NA PeJP NA NA +PJ036945 SSSSLEW C34H50N8O14 794.3447 NA PeJP NA NA +PJ036946 SLQMMW C35H54N8O9S2 794.3455 NA PeJP NA NA +PJ036947 AKEMMW C35H54N8O9S2 794.3456 NA PeJP NA NA +PJ036948 STQHHW C35H46N12O10 794.346 NA PeJP NA NA +PJ036949 GMFFFF C43H50N6O7S 794.3462 NA PeJP NA NA +PJ036950 GTTKEEM C31H54N8O14S 794.348 NA PeJP NA NA +PJ036951 GGSTTLEM C31H54N8O14S 794.3481 NA PeJP NA NA +PJ036952 SSLYYY C39H50N6O12 794.3487 NA PeJP NA NA +PJ036953 GPTKMMM C32H58N8O9S3 794.3489 NA PeJP NA NA +PJ036954 NNNMFR C32H50N12O10S 794.3494 NA PeJP NA NA +PJ036955 GSSSSSQR C28H50N12O15 794.3519 NA PeJP NA NA +MJ094602 Conophylline C44H50N4O10 794.352693 NA MeJP NA NA +PJ036956 SDMMRR C29H54N12O10S2 794.3528 NA PeJP NA NA +PJ036957 APCRYW C37H50N10O8S 794.3534 NA PeJP NA NA +PJ036958 AFWWW C45H46N8O6 794.3541 NA PeJP NA NA +PJ036959 SSSSNKW C33H50N10O13 794.3559 NA PeJP NA NA +PJ036960 ATMMRW C34H54N10O8S2 794.3568 NA PeJP NA NA +PJ036961 VEHHHH C34H46N14O9 794.3573 NA PeJP NA NA +MJ094603 Ditryptophenaline; N-1'-(2-Phenylethenyl) C50H46N6O4 794.358053 NA MeJP NA NA +PJ036962 GTTTEMR C30H54N10O13S 794.3593 NA PeJP NA NA +PJ036963 TTTTWW C38H50N8O11 794.3599 NA PeJP NA NA +PJ036964 GGAAPEFF C38H50N8O11 794.36 NA PeJP NA NA +PJ036965 VQMMMR C31H58N10O8S3 794.3602 NA PeJP NA NA +PJ036966 SQMHHR C31H50N14O9S 794.3606 NA PeJP NA NA +PJ036967 AHHHFF C39H46N12O7 794.3613 NA PeJP NA NA +PJ036968 TTKEMW C35H54N8O11S 794.3633 NA PeJP NA NA +PJ036969 ATFFFY C43H50N6O9 794.3639 NA PeJP NA NA +PJ036970 GVFFYY C43H50N6O9 794.364 NA PeJP NA NA +PJ036971 PPCHRW C36H50N12O7S 794.3647 NA PeJP NA NA +PJ036972 STTTKEE C31H54N8O16 794.3658 NA PeJP NA NA +PJ036973 KKEEMM C32H58N8O11S2 794.3667 NA PeJP NA NA +PJ036974 ADDRRY C32H50N12O12 794.3671 NA PeJP NA NA +PJ036975 GDERRY C32H50N12O12 794.3672 NA PeJP NA NA +PJ036976 LLEEEY C36H54N6O14 794.3698 NA PeJP NA NA +PJ036977 SSSCQKR C29H54N12O12S 794.3705 NA PeJP NA NA +PJ036978 AAERYW C37H50N10O10 794.3712 NA PeJP NA NA +PJ036979 AMMMRR C30H58N12O7S3 794.3714 NA PeJP NA NA +PJ036980 SCHHRR C30H50N16O8S 794.3719 NA PeJP NA NA +PJ036981 TTTMRW C34H54N10O10S 794.3745 NA PeJP NA NA +PJ036982 GGVEMFR C34H54N10O10S 794.3746 NA PeJP NA NA +PJ036983 LQYWW C42H50N8O8 794.3752 NA PeJP NA NA +MJ094604 Cholest-22-ene-3,6,8,15,24-pentol, 3,24-Di-O-?-D-xylopyranoside, 15-sulfate C37H62O16S 794.375856 NA MeJP NA NA +PJ036984 STTTTER C30H54N10O15 794.377 NA PeJP NA NA +PJ036985 TKEMMR C31H58N10O10S2 794.3779 NA PeJP NA NA +PJ036986 PDDHRR C31H50N14O11 794.3784 NA PeJP NA NA +PJ036987 APKMYW C39H54N8O8S 794.3786 NA PeJP NA NA +PJ036988 SSPTLQY C35H54N8O13 794.381 NA PeJP NA NA +PJ036989 SSTTTLW C35H54N8O13 794.3811 NA PeJP NA NA +PJ036990 SLKMMW C36H58N8O8S2 794.3819 NA PeJP NA NA +PJ036991 DRRYW C36H50N12O9 794.3824 NA PeJP NA NA +PJ036992 SSTLKEM C32H58N8O13S 794.3844 NA PeJP NA NA +PJ036993 AALKMMM C33H62N8O8S3 794.3853 NA PeJP NA NA +PJ036994 PTCRRY C33H54N12O9S 794.3858 NA PeJP NA NA +PJ036995 TFRWW C41H50N10O7 794.3864 NA PeJP NA NA +MJ094605 Rediocide A C44H58O13 794.387741 NA MeJP NA NA +PJ036996 GSSSSSKR C29H54N12O14 794.3883 NA PeJP NA NA +PJ036997 TTMMRR C30H58N12O9S2 794.3891 NA PeJP NA NA +PJ036998 GTCCKKR C30H58N12O9S2 794.3892 NA PeJP NA NA +PJ036999 GVMFRW C38H54N10O7S 794.3898 NA PeJP NA NA +PJ037000 AKEERY C34H54N10O12 794.3923 NA PeJP NA NA +PJ037001 CCKKKW C35H58N10O7S2 794.3932 NA PeJP NA NA +PJ037002 AQHHFR C35H50N14O8 794.3936 NA PeJP NA NA +PJ037003 GAAHHFR C35H50N14O8 794.3937 NA PeJP NA NA +PJ037004 SSTTLMR C31H58N10O12S 794.3957 NA PeJP NA NA +PJ037005 GLKEYW C39H54N8O10 794.3963 NA PeJP NA NA +PJ037006 VKMMMR C32H62N10O7S3 794.3965 NA PeJP NA NA +PJ037007 SKMHHR C32H54N14O8S 794.397 NA PeJP NA NA +MJ094606 Halomicin B C43H58N2O12 794.398975 NA MeJP NA NA +PJ037008 PKKEMY C36H58N8O10S 794.3997 NA PeJP NA NA +PJ037009 MFRRW C37H54N12O6S 794.401 NA PeJP NA NA +PJ037010 SSSSTTLL C32H58N8O15 794.4022 NA PeJP NA NA +PJ037011 ATTLKMM C33H62N8O10S2 794.4031 NA PeJP NA NA +PJ037012 ATERRY C33H54N12O11 794.4035 NA PeJP NA NA +PJ037013 GGGPDKKH C33H54N12O11 794.4036 NA PeJP NA NA +PJ037014 SSSCKKR C30H58N12O11S 794.4069 NA PeJP NA NA +PJ037015 GTLRYW C38H54N10O9 794.4076 NA PeJP NA NA +MJ094607 3,23-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester C41H62O15 794.408871 NA MeJP NA NA +MJ094608 Bryostatin 13 C41H62O15 794.408871 NA MeJP NA NA +MJ094609 Glaucogenin A; 3-O-?-L-Cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside C41H62O15 794.408871 NA MeJP NA NA +MJ094610 Glaucogenin A; 3-O-?-L-Cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-L-cymaropyranoside C41H62O15 794.408871 NA MeJP NA NA +MJ094611 Glaucogenin C; 3-O-[?-L-Cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-thevetopyranoside] C41H62O15 794.408871 NA MeJP NA NA +MJ094612 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[[2-Carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-(?3)-?-D-glucuronopyranoside] C41H62O15 794.408871 NA MeJP NA NA +PJ037016 PTKMRY C35H58N10O9S 794.4109 NA PeJP NA NA +PJ037017 LKYWW C43H54N8O7 794.4116 NA PeJP NA NA +PJ037018 GSSSTTKK C31H58N10O14 794.4134 NA PeJP NA NA +PJ037019 GTCKKKM C32H62N10O9S2 794.4143 NA PeJP NA NA +PJ037020 PTEHRR C32H54N14O10 794.4148 NA PeJP NA NA +PJ037021 ALKMFW C40H58N8O7S 794.415 NA PeJP NA NA +PJ037022 VKKEEY C36H58N8O12 794.4174 NA PeJP NA NA +PJ037023 GSVLKEY C36H58N8O12 794.4175 NA PeJP NA NA +PJ037024 SPLHRW C37H54N12O8 794.4188 NA PeJP NA NA +PJ037025 TTTTLKM C33H62N8O12S 794.4208 NA PeJP NA NA +PJ037026 GLMRRY C34H58N12O8S 794.4222 NA PeJP NA NA +MJ094613 Leurosidine; 20'-Deoxy C46H58N4O8 794.425464 NA MeJP NA NA +PJ037027 AQQHRR C31H54N16O9 794.426 NA PeJP NA NA +PJ037028 SLKERY C35H58N10O11 794.4287 NA PeJP NA NA +PJ037029 AKHHFR C36H54N14O7 794.43 NA PeJP NA NA +PJ037030 SSSKKKM C32H62N10O11S 794.432 NA PeJP NA NA +PJ037031 SVLKYW C40H58N8O9 794.4327 NA PeJP NA NA +PJ037032 PVMHRR C33H58N14O7S 794.4334 NA PeJP NA NA +MJ094614 Mocimycin; 3'-Deoxy, 1-Me C44H62N2O11 794.43536 NA MeJP NA NA +PJ037033 LLQKMY C37H62N8O9S 794.4361 NA PeJP NA NA +PJ037034 GNHRRR C30H54N18O8 794.4372 NA PeJP NA NA +PJ037035 GGGHRRR C30H54N18O8 794.4373 NA PeJP NA NA +PJ037036 STLRRY C34H58N12O10 794.4399 NA PeJP NA NA +2655 synthetic fr, of human beta-CN (164-170) ACE inhibitor IPQEVLP 794.44 NA Inhouse_peptide NA peptide +PJ037037 VLLQHW C39H58N10O8 794.4439 NA PeJP NA NA +PJ037038 GGLLLHW C39H58N10O8 794.444 NA PeJP NA NA +3003 kinases inhibitor KKYLRRQEAVDAL 794.44495 MH2+ Inhouse_peptide NA peptide +3017 kinases inhibitor KKALRRQEYVDAL 794.44495 MH2+ Inhouse_peptide NA peptide +3018 kinases inhibitor KKALRRQEAVDYL 794.44495 MH2+ Inhouse_peptide NA peptide +MJ094615 12-Oleanene-3,22,24-triol, 22-Ketone, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094616 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-3-O-methyl-?-L-arabino-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094617 3,15-Dihydroxy-12-oleanen-16-one, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094618 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094619 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094620 3-Hydroxy-12-oleanene-28,29-dioic acid, 3-O-?-D-Xylopyranoside, 29-O-?-D-glucopyranosyl ester, 28-Me ester C42H66O14 794.445256 NA MeJP NA NA +MJ094621 3-Hydroxy-12-ursen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester C42H66O14 794.445256 NA MeJP NA NA +MJ094622 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-?-D-Fucopyranoside, 28-?-D-glucopyranosyl ester C42H66O14 794.445256 NA MeJP NA NA +MJ094623 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Galactopyranosyl-(1?3)-6-deoxy-?-D-glucopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094624 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-6-deoxy-?-D-glucopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094625 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094626 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094627 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094628 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-?-L-Rhamnopyranoside, 28-O-?-D-glucopyranosyl ester C42H66O14 794.445256 NA MeJP NA NA +MJ094629 8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 11-(2-Methylbutanoyl), 12-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094630 Digoxin; 4'''-Me ether C42H66O14 794.445256 NA MeJP NA NA +MJ094631 Hederagenin 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094632 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094633 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucuronopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094634 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094635 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094636 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucuronopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094637 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucuronopyranoside] C42H66O14 794.445256 NA MeJP NA NA +MJ094638 Oleanolic acid bisdesmosides; Diglycosides, 3-O-?-D-Galacturonopyranoside, 28-O-?-D-glucopyranosyl ester C42H66O14 794.445256 NA MeJP NA NA +MJ094639 Oleanolic acid bisdesmosides; Diglycosides, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester C42H66O14 794.445256 NA MeJP NA NA +C08984 Spinasaponin A C42H66O14 794.4453 NA KEGG NA NA +PJ037039 VVKMRY C36H62N10O8S 794.4473 NA PeJP NA NA +C15660 A 77003 C44H58N8O6 794.4479 NA KEGG NA NA +MJ094640 1,2,5,6-Tetradeoxy-2,5-bis[[3-methyl-2-[[[methyl(2-pyridinylmethyl)amino]carbonyl]amino]-1-oxobutyl]amino]-1,6-diphenylaltritol C44H58N8O6 794.447931 NA MeJP NA NA +PJ037040 VVEHRR C33H58N14O9 794.4512 NA PeJP NA NA +PJ037041 GTTLLKY C37H62N8O11 794.4538 NA PeJP NA NA +PJ037042 AAPPVVLE C37H62N8O11 794.4539 NA PeJP NA NA +PJ037043 ALLHRW C38H58N12O7 794.4552 NA PeJP NA NA +MJ094641 12-Oleanene-3,16-diol, 16-O-(4-Hydroxy-3-methoxycinnamoyl)(E-), 3-O-?-D-glucuronopyranoside C46H66O11 794.460512 NA MeJP NA NA +MJ094642 Oleanolic acid 3-glycosides; Monoglycosides, 3-O-[4-Hydroxy-3-methoxycinnamoyl-(?4)-?-D-glucopyranoside] C46H66O11 794.460512 NA MeJP NA NA +PJ037044 PPNRRR C32H58N16O8 794.4624 NA PeJP NA NA +PJ037045 TQKKKY C36H62N10O10 794.4651 NA PeJP NA NA +PJ037046 GPPLLLW C41H62N8O8 794.4691 NA PeJP NA NA +PJ037047 LLKKMY C38H66N8O8S 794.4725 NA PeJP NA NA +PJ037048 LLKEHR C35H62N12O9 794.4763 NA PeJP NA NA +PJ037049 VLLKHW C40H62N10O7 794.4803 NA PeJP NA NA +MJ094643 Cucurbita-5,24-diene-3,7,16-triol, 16-O-(4-O-Acetyl-?-D-glucopyranoside), 3-O-?-D-xylopyranoside C43H70O13 794.481642 NA MeJP NA NA +MJ094644 Cucurbita-5,24-diene-3,7,16-triol, 16-O-(6-O-Acetyl-?-D-glucopyranoside), 3-O-?-D-xylopyranoside C43H70O13 794.481642 NA MeJP NA NA +PJ037050 TLLHRR C34H62N14O8 794.4875 NA PeJP NA NA +PJ037051 PPVLLKE C38H66N8O10 794.4902 NA PeJP NA NA +PJ037052 AKKHRR C33H62N16O7 794.4988 NA PeJP NA NA +PJ037053 TKKKKY C37H66N10O9 794.5015 NA PeJP NA NA +PJ037054 LLKKFF C42H66N8O7 794.5055 NA PeJP NA NA +HMDB10584 PG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C44H75O10P 794.509766 NA HMDB2010 NA NA +HMDB10597 PG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C44H75O10P 794.509766 NA HMDB2010 NA NA +HMDB10598 PG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C44H75O10P 794.509766 NA HMDB2010 NA NA +HMDB10655 PG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) C44H75O10P 794.509766 NA HMDB2010 NA NA +HMDB10668 PG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)) C44H75O10P 794.509766 NA HMDB2010 NA NA +HMDB10669 PG(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z)) C44H75O10P 794.509766 NA HMDB2010 NA NA +HMDB10683 PG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)) C44H75O10P 794.509766 NA HMDB2010 NA NA +HMDB10684 PG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) C44H75O10P 794.509766 NA HMDB2010 NA NA +PJ037055 GPPLKKR C36H66N12O8 794.5127 NA PeJP NA NA +MJ094645 1,2-Di-O-acylglycerols; Glycerol 1,2-dihexadecanoate, 3-O-(6-Deoxy-6-sulfo-?-D-glucopyranoside) C41H78O12S 794.521398 NA MeJP NA NA +PJ037056 VKKKHR C35H66N14O7 794.5239 NA PeJP NA NA +PJ037057 PVLLLLQ C39H70N8O9 794.5266 NA PeJP NA NA +PJ037058 APLLLLR C38H70N10O8 794.5378 NA PeJP NA NA +PJ037059 PVLLLLK C40H74N8O8 794.563 NA PeJP NA NA +MJ094646 1-Hentriacontene-4,6,8,10,12,14,16,18,20,22,24,26-dodecol, Dodeca-Me ether C43H86O12 794.611928 NA MeJP NA NA +C01967 Ubiquinone-9 C54H82O4 794.6213 NA KEGG NA NA +MJ094647 Coenzyme Q; Coenzyme Q9 C54H82O4 794.621311 NA MeJP NA NA +MetaCyc04146 ubiquinone-9 [coenzyme-Q9;ubiquinone(9);] C54H82O4 794.621311 303-97-9 metacyc NA NA +HMDB06707 Coenzyme Q9 C54H82O4 794.621338 NA HMDB2010 NA NA +HMDB06707 Coenzyme Q9 C54H82O4 794.62134 http://www.hmdb.ca/metabolites/HMDB06707 HMDB NA NA +HMDB06707 Coenzyme Q9 C54H82O4 794.62134 HMDB06707 PFEM_hmdb_metabocards_official NA NA +C00798 Formyl-CoA C22H36N7O17P3S 795.1101 NA KEGG NA NA +HMDB03419 Formyl-CoA C22H36N7O17P3S 795.110107 NA HMDB2010 NA NA +HMDB03419 Formyl-CoA C22H36N7O17P3S 795.11011 http://www.hmdb.ca/metabolites/HMDB03419 HMDB NA NA +HMDB03419 Formyl-CoA C22H36N7O17P3S 795.11011 HMDB03419 PFEM_hmdb_metabocards_official NA NA +MJ094648 Formyl-CoA C22H36N7O17P3S 795.110123 NA MeJP NA NA +MetaCyc04147 formyl-CoA [] C22H36N7O17P3S1 795.110123 NA metacyc NA NA +PJ037060 CCCCCMM C25H45N7O8S7 795.1375 NA PeJP NA NA +PJ037061 CCCCCDF C28H41N7O10S5 795.1519 NA PeJP NA NA +PJ037062 SCCCCDY C28H41N7O12S4 795.1696 NA PeJP NA NA +PJ037063 ACCCCMY C29H45N7O9S5 795.1883 NA PeJP NA NA +MJ094649 Rubradirin B C40H33N3O15 795.191167 NA MeJP NA NA +PJ037064 CCCCNNH C26H41N11O10S4 795.1921 NA PeJP NA NA +PJ037065 SCCCDEH C27H41N9O13S3 795.1986 NA PeJP NA NA +PJ037066 PCCCCMH C28H45N9O8S5 795.1995 NA PeJP NA NA +PJ037067 SDDDDDD C27H37N7O21 795.2043 NA PeJP NA NA +PJ037068 PCCDDDE C28H41N7O16S2 795.2052 NA PeJP NA NA +PJ037069 SSCCCMY C29H45N7O11S4 795.206 NA PeJP NA NA +PJ037070 GCCDMMH C28H45N9O10S4 795.2173 NA PeJP NA NA +PJ037071 ACCCCFF C33H45N7O8S4 795.2213 NA PeJP NA NA +PJ037072 GDDDDEM C28H41N7O18S 795.2229 NA PeJP NA NA +PJ037073 CCNNNND C26H41N11O14S2 795.2276 NA PeJP NA NA +PJ037074 GGGGGGGGCCD C26H41N11O14S2 795.2277 NA PeJP NA NA +PJ037075 GCCDDHF C31H41N9O12S2 795.2316 NA PeJP NA NA +PJ037076 SCNNDDE C27H41N9O17S 795.2341 NA PeJP NA NA +PJ037077 GGSCNDDE C27H41N9O17S 795.2342 NA PeJP NA NA +PJ037078 SSCCEMH C28H45N9O12S3 795.235 NA PeJP NA NA +PJ037079 GCCCHHH C29H41N13O8S3 795.2364 NA PeJP NA NA +PJ037080 DDDDMW C32H41N7O15S 795.2382 NA PeJP NA NA +PJ037081 CCNMYY C33H45N7O10S3 795.239 NA PeJP NA NA +PJ037082 SSDDDEE C28H41N7O20 795.2407 NA PeJP NA NA +PJ037083 SPCDDEM C29H45N7O15S2 795.2415 NA PeJP NA NA +PJ037084 PPCCDMM C30H49N7O10S4 795.2424 NA PeJP NA NA +PJ037085 GSCNDDW C31H41N9O14S 795.2494 NA PeJP NA NA +PJ037086 GPCCCQW C32H45N9O9S3 795.2503 NA PeJP NA NA +PJ037087 GSSSNDDD C27H41N9O19 795.2519 NA PeJP NA NA +MJ094650 Bis[N-(2,6-diisopropylacetanilido)iminodiacetato]technetate(III)(1-) C36H48N4O10Tc(-) 795.252084 NA MeJP NA NA +PJ037088 GNNDDMM C28H45N9O14S2 795.2528 NA PeJP NA NA +PJ037089 GSCMMMH C29H49N9O9S4 795.2536 NA PeJP NA NA +PJ037090 GPDDDDY C32H41N7O17 795.2559 NA PeJP NA NA +PJ037091 GSTCCYY C33H45N7O12S2 795.2568 NA PeJP NA NA +PJ037092 GSDEEEM C29H45N7O17S 795.2593 NA PeJP NA NA +PJ037093 GPDDMMM C30H49N7O12S3 795.2602 NA PeJP NA NA +PJ037094 PPCCCHH C31H45N11O8S3 795.2615 NA PeJP NA NA +MJ094651 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,2,8-Tris(3-pyridinecarbonyl), 9-benzoyl, 14-Ac C42H41N3O13 795.263938 NA MeJP NA NA +PJ037095 GCCNDER C27H45N11O13S2 795.264 NA PeJP NA NA +PJ037096 GNNDDDF C31H41N9O16 795.2672 NA PeJP NA NA +PJ037097 CNNEMW C32H45N9O11S2 795.268 NA PeJP NA NA +PJ037098 SSNNDEM C28H45N9O16S 795.2705 NA PeJP NA NA +PJ037099 SSTCMMH C29H49N9O11S3 795.2714 NA PeJP NA NA +PJ037100 GCNNDHH C29H41N13O12S 795.2719 NA PeJP NA NA +PJ037101 CCNFFY C37H45N7O9S2 795.272 NA PeJP NA NA +PJ037102 SSSSCYY C33H45N7O14S 795.2745 NA PeJP NA NA +PJ037103 SDEEMW C33H45N7O14S 795.2746 NA PeJP NA NA +PJ037104 PCEMMW C34H49N7O9S3 795.2754 NA PeJP NA NA +PJ037105 SSSEEEE C29H45N7O19 795.277 NA PeJP NA NA +PJ037106 QEEEMM C30H49N7O14S2 795.2779 NA PeJP NA NA +PJ037107 GSDDEHH C30H41N11O15 795.2784 NA PeJP NA NA +PJ037108 SPPCMMM C31H53N7O9S4 795.2788 NA PeJP NA NA +PJ037109 CCNDRW C31H45N11O10S2 795.2793 NA PeJP NA NA +PJ037110 SSCNDDR C27H45N11O15S 795.2818 NA PeJP NA NA +PJ037111 SPCCCQR C28H49N11O10S3 795.2826 NA PeJP NA NA +PJ037112 GCNMWW C36H45N9O8S2 795.2833 NA PeJP NA NA +PJ037113 GSSNDMW C32H45N9O13S 795.2858 NA PeJP NA NA +PJ037114 GPCCCKW C33H49N9O8S3 795.2867 NA PeJP NA NA +PJ037115 GSSSSNEE C28H45N9O18 795.2883 NA PeJP NA NA +PJ037116 ASNNEMM C29H49N9O13S2 795.2891 NA PeJP NA NA +PJ037117 DDEMMR C29H49N9O13S2 795.2892 NA PeJP NA NA +PJ037118 PCDEFW C37H45N7O11S 795.2898 NA PeJP NA NA +PJ037119 GSPDEEY C33H45N7O16 795.2923 NA PeJP NA NA +PJ037120 AEEMMW C34H49N7O11S2 795.2932 NA PeJP NA NA +PJ037121 SDDHHW C34H41N11O12 795.2937 NA PeJP NA NA +PJ037122 GTTEEEM C30H49N7O16S 795.2957 NA PeJP NA NA +PJ037123 GPTEMMM C31H53N7O11S3 795.2965 NA PeJP NA NA +PJ037124 GCNNNQF C31H45N11O12S 795.297 NA PeJP NA NA +PJ037125 GGGGGGGGACF C31H45N11O12S 795.2971 NA PeJP NA NA +PJ037126 CCMHFR C32H49N11O7S3 795.2979 NA PeJP NA NA +PJ037127 SSSSSNNN C27H45N11O17 795.2995 NA PeJP NA NA +PJ037128 GSCNEMR C28H49N11O12S2 795.3004 NA PeJP NA NA +PJ037129 SSCQWW C36H45N9O10S 795.301 NA PeJP NA NA +PJ037130 GGGGPCYW C36H45N9O10S 795.3011 NA PeJP NA NA +PJ037131 SSSSNEW C32H45N9O15 795.3035 NA PeJP NA NA +PJ037132 GGGGQEEY C32H45N9O15 795.3036 NA PeJP NA NA +PJ037133 SNQMMW C33H49N9O10S2 795.3044 NA PeJP NA NA +PJ037134 SSSQQEM C29H49N9O15S 795.3069 NA PeJP NA NA +PJ037135 SSNYYY C37H45N7O13 795.3075 NA PeJP NA NA +PJ037136 SPDEYW C37H45N7O13 795.3076 NA PeJP NA NA +PJ037137 QQQMMM C30H53N9O10S3 795.3078 NA PeJP NA NA +PJ037138 ASCNQHH C30H45N13O11S 795.3082 NA PeJP NA NA +PJ037139 CDEHHR C30H45N13O11S 795.3083 NA PeJP NA NA +PJ037140 PPCMYW C38H49N7O8S2 795.3084 NA PeJP NA NA +MJ094652 Auramycin B C41H49NO15 795.310219 NA MeJP NA NA +PJ037141 TTEEMW C34H49N7O13S 795.3109 NA PeJP NA NA +PJ037142 GSCCDRR C27H49N13O11S2 795.3116 NA PeJP NA NA +PJ037143 PTMMMW C35H53N7O8S3 795.3118 NA PeJP NA NA +PJ037144 GEMHHW C35H45N11O9S 795.3123 NA PeJP NA NA +PJ037145 STTTEEE C30H49N7O18 795.3134 NA PeJP NA NA +PJ037146 KEEEMM C31H53N7O13S2 795.3143 NA PeJP NA NA +PJ037147 NNDDRY C31H45N11O14 795.3148 NA PeJP NA NA +PJ037148 GPVMMMM C32H57N7O8S4 795.3152 NA PeJP NA NA +PJ037149 SCNMRW C32H49N11O9S2 795.3156 NA PeJP NA NA +PJ037150 GGSCMRW C32H49N11O9S2 795.3157 NA PeJP NA NA +PJ037151 NDHHHH C32H41N15O10 795.3161 NA PeJP NA NA +PJ037152 GCHFFW C40H45N9O7S 795.3163 NA PeJP NA NA +PJ037153 SSSNDMR C28H49N11O14S 795.3181 NA PeJP NA NA +PJ037154 GGSSSDMR C28H49N11O14S 795.3182 NA PeJP NA NA +PJ037155 GSSSSWW C36H45N9O12 795.3188 NA PeJP NA NA +PJ037156 NNMMMR C29H53N11O9S3 795.319 NA PeJP NA NA +PJ037157 ACCKWW C37H49N9O7S2 795.3197 NA PeJP NA NA +PJ037158 GSSTQMW C33H49N9O12S 795.3222 NA PeJP NA NA +PJ037159 EEFWW C41H45N7O10 795.3228 NA PeJP NA NA +PJ037160 CKMMHF C34H53N9O7S3 795.323 NA PeJP NA NA +PJ037161 GSSSSDKE C29H49N9O17 795.3247 NA PeJP NA NA +PJ037162 TEEMMR C30H53N9O12S2 795.3255 NA PeJP NA NA +PJ037163 GGGSKEMM C30H53N9O12S2 795.3256 NA PeJP NA NA +PJ037164 SSSNQHH C30H45N13O13 795.326 NA PeJP NA NA +PJ037165 APEMYW C38H49N7O10S 795.3262 NA PeJP NA NA +PJ037166 PMMMMR C31H57N9O7S4 795.3264 NA PeJP NA NA +PJ037167 MHHWW C39H45N11O6S 795.3275 NA PeJP NA NA +PJ037168 VQEEEY C34H49N7O15 795.3287 NA PeJP NA NA +PJ037169 SLEMMW C35H53N7O10S2 795.3296 NA PeJP NA NA +PJ037170 STEHHW C35H45N11O11 795.33 NA PeJP NA NA +PJ037171 GGGGPEHW C35H45N11O11 795.3301 NA PeJP NA NA +PJ037172 CCQMRR C28H53N13O8S3 795.3303 NA PeJP NA NA +PJ037173 SSTLEEM C31H53N7O15S 795.3321 NA PeJP NA NA +PJ037174 AALEMMM C32H57N7O10S3 795.3329 NA PeJP NA NA +PJ037175 GSSTCRW C32H49N11O11S 795.3334 NA PeJP NA NA +PJ037176 NQYWW C40H45N9O9 795.334 NA PeJP NA NA +PJ037177 GGQYWW C40H45N9O9 795.3341 NA PeJP NA NA +PJ037178 GSSSSSER C28H49N11O16 795.3359 NA PeJP NA NA +PJ037179 GSSQMMR C29H53N11O11S2 795.3368 NA PeJP NA NA +PJ037180 SSCKWW C37H49N9O9S 795.3374 NA PeJP NA NA +PJ037181 SSSSDKW C33H49N9O14 795.3399 NA PeJP NA NA +PJ037182 SNKMMW C34H53N9O9S2 795.3408 NA PeJP NA NA +PJ037183 NNQHHF C34H45N13O10 795.3413 NA PeJP NA NA +PJ037184 PPCFFW C42H49N7O7S 795.3415 NA PeJP NA NA +PJ037185 SSSQKEM C30H53N9O14S 795.3433 NA PeJP NA NA +PJ037186 AVEEYW C38H49N7O12 795.3439 NA PeJP NA NA +PJ037187 GLEEYW C38H49N7O12 795.344 NA PeJP NA NA +PJ037188 VEMMMR C31H57N9O9S3 795.3442 NA PeJP NA NA +PJ037189 SEMHHR C31H49N13O10S 795.3446 NA PeJP NA NA +PJ037190 GGGTCKHH C31H49N13O10S 795.3447 NA PeJP NA NA +PJ037191 PCLMFW C39H53N7O7S2 795.3448 NA PeJP NA NA +PJ037192 GPNHWW C39H45N11O8 795.3453 NA PeJP NA NA +PJ037193 PKEEMY C35H53N7O12S 795.3473 NA PeJP NA NA +PJ037194 GSSCMRR C28H53N13O10S2 795.348 NA PeJP NA NA +PJ037195 VVMMMW C36H57N7O7S3 795.3482 NA PeJP NA NA +PJ037196 GCQFRW C36H49N11O8S 795.3487 NA PeJP NA NA +PJ037197 ATTLEMM C32H57N7O12S2 795.3507 NA PeJP NA NA +PJ037198 SSSSSRW C32H49N11O13 795.3512 NA PeJP NA NA +PJ037199 TCCKRW C33H53N11O8S2 795.352 NA PeJP NA NA +PJ037200 TQHHHH C33H45N15O9 795.3525 NA PeJP NA NA +PJ037201 SSSTQMR C29H53N11O13S 795.3545 NA PeJP NA NA +PJ037202 GNKEYW C37H49N9O11 795.3552 NA PeJP NA NA +PJ037203 CQKMMR C30H57N11O8S3 795.3554 NA PeJP NA NA +PJ037204 GSSTKMW C34H53N9O11S 795.3585 NA PeJP NA NA +PJ037205 PTEMRY C34H53N9O11S 795.3586 NA PeJP NA NA +MJ094653 Virginiamycin S1; 5-L-Proline analogue C42H49N7O9 795.359176 NA MeJP NA NA +PJ037206 LEYWW C42H49N7O9 795.3592 NA PeJP NA NA +PJ037207 PCHHFR C35H49N13O7S 795.3599 NA PeJP NA NA +PJ037208 ASSSSTKE C30H53N9O16 795.361 NA PeJP NA NA +PJ037209 GSSSTTKE C30H53N9O16 795.3611 NA PeJP NA NA +PJ037210 GSDKKMM C31H57N9O11S2 795.3619 NA PeJP NA NA +PJ037211 GSPNEHR C31H49N13O12 795.3624 NA PeJP NA NA +PJ037212 SPLMYW C39H53N7O9S 795.3626 NA PeJP NA NA +PJ037213 CLMHHR C32H53N13O7S2 795.3633 NA PeJP NA NA +PJ037214 VKEEEY C35H53N7O14 795.3651 NA PeJP NA NA +PJ037215 SSSTCRR C28H53N13O12S 795.3658 NA PeJP NA NA +PJ037216 AAPLMMY C36H57N7O9S2 795.3659 NA PeJP NA NA +PJ037217 GPVVMMY C36H57N7O9S2 795.366 NA PeJP NA NA +PJ037218 GSQRYW C36H49N11O10 795.3664 NA PeJP NA NA +PJ037219 CCKMRR C29H57N13O7S3 795.3666 NA PeJP NA NA +PJ037220 TTTTLEM C32H57N7O14S 795.3684 NA PeJP NA NA +PJ037221 GTLLMMM C33H61N7O9S3 795.3693 NA PeJP NA NA +PJ037222 AQQMRY C33H53N11O10S 795.3698 NA PeJP NA NA +PJ037223 NKYWW C41H49N9O8 795.3704 NA PeJP NA NA +PJ037224 GAAHFFF C41H49N9O8 795.3705 NA PeJP NA NA +PJ037225 GSSSTTTR C29H53N11O15 795.3723 NA PeJP NA NA +PJ037226 GSSKMMR C30H57N11O10S2 795.3732 NA PeJP NA NA +PJ037227 NNQQHR C30H49N15O11 795.3736 NA PeJP NA NA +PJ037228 GGGGGAQHR C30H49N15O11 795.3737 NA PeJP NA NA +PJ037229 GQKMFW C38H53N9O8S 795.3738 NA PeJP NA NA +MJ094654 Physalemin-like immunoreactive peptide 7 C34H53N9O13 795.376282 NA MeJP NA NA +PJ037230 SSSTTKW C34H53N9O13 795.3763 NA PeJP NA NA +PJ037231 TCKKMW C35H57N9O8S2 795.3772 NA PeJP NA NA +PJ037232 SPNHRW C35H49N13O9 795.3777 NA PeJP NA NA +PJ037233 SSSKKEM C31H57N9O13S 795.3797 NA PeJP NA NA +PJ037234 SVLEYW C39H53N7O11 795.3803 NA PeJP NA NA +PJ037235 QKKMMM C32H61N9O8S3 795.3806 NA PeJP NA NA +PJ037236 GNMRRY C32H53N13O9S 795.381 NA PeJP NA NA +PJ037237 GLHHFW C40H49N11O7 795.3817 NA PeJP NA NA +PJ037238 LLQEMY C36H57N7O11S 795.3837 NA PeJP NA NA +PJ037239 GCKFRW C37H53N11O7S 795.3851 NA PeJP NA NA +PJ037240 STTLLMM C33H61N7O11S2 795.3871 NA PeJP NA NA +PJ037241 SNKERY C33H53N11O12 795.3875 NA PeJP NA NA +PJ037242 GGSKERY C33H53N11O12 795.3876 NA PeJP NA NA +PJ037243 LKMMHH C34H57N11O7S2 795.3884 NA PeJP NA NA +PJ037244 TKHHHH C34H49N15O8 795.3889 NA PeJP NA NA +PJ037245 SSSTKMR C30H57N11O12S 795.3909 NA PeJP NA NA +PJ037246 GDKKYW C38H53N9O10 795.3916 NA PeJP NA NA +PJ037247 CKKMMR C31H61N11O7S3 795.3918 NA PeJP NA NA +PJ037248 PCQHRR C31H53N15O8S 795.3923 NA PeJP NA NA +PJ037249 VVEMRY C35H57N9O10S 795.3949 NA PeJP NA NA +PJ037250 GGGALKMY C35H57N9O10S 795.395 NA PeJP NA NA +PJ037251 APLFYW C43H53N7O8 795.3956 NA PeJP NA NA +PJ037252 SSSSSTLK C31H57N9O15 795.3974 NA PeJP NA NA +PJ037253 GTTKKMM C32H61N9O10S2 795.3983 NA PeJP NA NA +PJ037254 SSQRRY C32H53N13O11 795.3988 NA PeJP NA NA +PJ037255 ALLMYW C40H57N7O8S 795.399 NA PeJP NA NA +PJ037256 GTTLLEY C36H57N7O13 795.4015 NA PeJP NA NA +PJ037257 AALLMMF C37H61N7O8S2 795.4023 NA PeJP NA NA +PJ037258 GSKRYW C37H53N11O9 795.4028 NA PeJP NA NA +7630 ACE inhibitor from kappa-CN (fr, 25-30) YIPIQY 795.404 antioxidative Inhouse_peptide NA peptide +MJ094655 Eurocidin D C40H61NO15 795.40412 NA MeJP NA NA +PJ037259 AQKMRY C34H57N11O9S 795.4062 NA PeJP NA NA +PJ037260 PPLHFW C42H53N9O7 795.4068 NA PeJP NA NA +PJ037261 AQEHRR C31H53N15O10 795.41 NA PeJP NA NA +PJ037262 GKKMFW C39H57N9O7S 795.4102 NA PeJP NA NA +PJ037263 TQKKEY C35H57N9O12 795.4127 NA PeJP NA NA +PJ037264 VLMMFR C36H61N9O7S2 795.4136 NA PeJP NA NA +PJ037265 GLQHRW C36H53N13O8 795.414 NA PeJP NA NA +PJ037266 GGALHRW C36H53N13O8 795.4141 NA PeJP NA NA +PJ037267 STTTKKM C32H61N9O12S 795.4161 NA PeJP NA NA +PJ037268 TTLLYW C40H57N7O10 795.4167 NA PeJP NA NA +PJ037269 KKKMMM C33H65N9O7S3 795.4169 NA PeJP NA NA +PJ037270 ACKRRY C33H57N13O8S 795.4174 NA PeJP NA NA +PJ037271 LLKEMY C37H61N7O10S 795.4201 NA PeJP NA NA +PJ037272 GDHRRR C30H53N17O9 795.4213 NA PeJP NA NA +PJ037273 SDKKRY C34H57N11O11 795.4239 NA PeJP NA NA +PJ037274 GAAPPLDR C34H57N11O11 795.424 NA PeJP NA NA +PJ037275 AAHRRW C35H53N15O7 795.4253 NA PeJP NA NA +PJ037276 STKKFW C39H57N9O9 795.4279 NA PeJP NA NA +PJ037277 ATKKYW C39H57N9O9 795.428 NA PeJP NA NA +PJ037278 PCKHRR C32H57N15O7S 795.4287 NA PeJP NA NA +PJ037279 TLLMRY C36H61N9O9S 795.4313 NA PeJP NA NA +PJ037280 ALLFFW C44H57N7O7 795.432 NA PeJP NA NA +PJ037281 SSKRRY C33H57N13O10 795.4352 NA PeJP NA NA +PJ037282 SSTLLLY C37H61N7O12 795.4378 NA PeJP NA NA +PJ037283 PPVLLEE C37H61N7O12 795.4379 NA PeJP NA NA +PJ037284 PPLQRW C38H57N11O8 795.4392 NA PeJP NA NA +PJ037285 AKKMRY C35H61N11O8S 795.4426 NA PeJP NA NA +PJ037286 PPDRRR C32H57N15O9 795.4464 NA PeJP NA NA +PJ037287 TKKKEY C36H61N9O11 795.4491 NA PeJP NA NA +PJ037288 GLKHRW C37H57N13O7 795.4504 NA PeJP NA NA +PJ037289 PLLKYY C41H61N7O9 795.4531 NA PeJP NA NA +PJ037290 PKKMHR C34H61N13O7S 795.4538 NA PeJP NA NA +PJ037291 ATHRRR C31H57N17O8 795.4576 NA PeJP NA NA +PJ037292 TTKKRY C35H61N11O10 795.4603 NA PeJP NA NA +PJ037293 APPVVKW C40H61N9O8 795.4643 NA PeJP NA NA +PJ037294 GPPVLKW C40H61N9O8 795.4644 NA PeJP NA NA +PJ037295 VKKKMY C37H65N9O8S 795.4677 NA PeJP NA NA +PJ037296 GPPTLRR C34H61N13O9 795.4716 NA PeJP NA NA +PJ037297 PPLKRW C39H61N11O7 795.4756 NA PeJP NA NA +MJ094656 Kulolide 1; 7,8-Dihydro C43H65N5O9 795.478228 NA MeJP NA NA +MJ094657 Majusculamide D; 4'-Deoxy C43H65N5O9 795.478228 NA MeJP NA NA +PJ037298 SLKHRR C33H61N15O8 795.4828 NA PeJP NA NA +MJ094658 Piperastatin B C37H65N9O10 795.485439 NA MeJP NA NA +PJ037299 STLLLLH C37H65N9O10 795.4855 NA PeJP NA NA +PJ037300 LLLKFY C42H65N7O8 795.4895 NA PeJP NA NA +PJ037301 PPLLLLM C39H69N7O8S 795.4929 NA PeJP NA NA +PJ037302 SPPVLKR C36H65N11O9 795.4967 NA PeJP NA NA +PJ037303 VKKKFF C41H65N9O7 795.5007 NA PeJP NA NA +PJ037304 AAPLLRR C35H65N13O8 795.5079 NA PeJP NA NA +PJ037305 PVLLLLE C39H69N7O10 795.5106 NA PeJP NA NA +PJ037306 PVLRRR C34H65N15O7 795.5192 NA PeJP NA NA +PJ037307 PPTLLKK C38H69N9O9 795.5219 NA PeJP NA NA +PJ037308 GPLLLKR C37H69N11O8 795.5331 NA PeJP NA NA +PJ037309 KKKKKH C36H69N13O7 795.5443 NA PeJP NA NA +PJ037310 PVVLLKK C39H73N9O8 795.5582 NA PeJP NA NA +EUR996 PC 38:4 [M-H-CH3]- C46H84NO8P 795.577807 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR996 PC 38:4 [M-H-CH3]- C46H84NO8P 795.577807 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR996 PC 38:4 [M-H-CH3]- C46H84NO8P 795.577807 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR996 PC 38:4 [M-H-CH3]- C46H84NO8P 795.577807 masses lipides attendues Inhousejuil11 NA NA +HMDB07955 PC(15:0/22:4(7Z,10Z,13Z,16Z)) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB08625 PC(22:4(7Z,10Z,13Z,16Z)/15:0) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09009 PE(18:0/22:4(7Z,10Z,13Z,16Z)) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09107 PE(18:2(9Z,12Z)/22:2(13Z,16Z)) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09139 PE(18:3(6Z,9Z,12Z)/22:1(13Z)) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09172 PE(18:3(9Z,12Z,15Z)/22:1(13Z)) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09204 PE(18:4(6Z,9Z,12Z,15Z)/22:0) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09234 PE(20:0/20:4(5Z,8Z,11Z,14Z)) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09235 PE(20:0/20:4(8Z,11Z,14Z,17Z)) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09265 PE(20:1(11Z)/20:3(5Z,8Z,11Z)) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09266 PE(20:1(11Z)/20:3(8Z,11Z,14Z)) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09297 PE(20:2(11Z,14Z)/20:2(11Z,14Z)) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09329 PE(20:3(5Z,8Z,11Z)/20:1(11Z)) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09362 PE(20:3(8Z,11Z,14Z)/20:1(11Z)) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09394 PE(20:4(5Z,8Z,11Z,14Z)/20:0) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09427 PE(20:4(8Z,11Z,14Z,17Z)/20:0) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09492 PE(22:0/18:4(6Z,9Z,12Z,15Z)) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09523 PE(22:1(13Z)/18:3(6Z,9Z,12Z)) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09524 PE(22:1(13Z)/18:3(9Z,12Z,15Z)) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09555 PE(22:2(13Z,16Z)/18:2(9Z,12Z)) C45H82NO8P 795.57782 NA HMDB2010 NA NA +HMDB09585 PE(22:4(7Z,10Z,13Z,16Z)/18:0) C45H82NO8P 795.57782 NA HMDB2010 NA NA +PJ037311 VLLLLLL C41H77N7O8 795.5834 NA PeJP NA NA +HMDB08359 PC(20:2(11Z,14Z)/P-18:1(11Z)) C46H86NO7P 795.614197 NA HMDB2010 NA NA +HMDB08360 PC(20:2(11Z,14Z)/P-18:1(9Z)) C46H86NO7P 795.614197 NA HMDB2010 NA NA +HMDB08391 PC(20:3(5Z,8Z,11Z)/P-18:0) C46H86NO7P 795.614197 NA HMDB2010 NA NA +HMDB08423 PC(20:3(8Z,11Z,14Z)/P-18:0) C46H86NO7P 795.614197 NA HMDB2010 NA NA +HMDB11251 PC(P-18:0/20:3(5Z,8Z,11Z)) C46H86NO7P 795.614197 NA HMDB2010 NA NA +HMDB11252 PC(P-18:0/20:3(8Z,11Z,14Z)) C46H86NO7P 795.614197 NA HMDB2010 NA NA +HMDB11283 PC(P-18:1(11Z)/20:2(11Z,14Z)) C46H86NO7P 795.614197 NA HMDB2010 NA NA +HMDB11316 PC(P-18:1(9Z)/20:2(11Z,14Z)) C46H86NO7P 795.614197 NA HMDB2010 NA NA +HMDB13420 PC(o-18:0/20:4(8Z,11Z,14Z,17Z)) C46H86NO7P 795.614197 NA HMDB2010 NA NA +MJ094659 2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxyheneicosanoyl), 1-O-?-D-glucopyranoside C46H85NO9 795.622433 NA MeJP NA NA +EUR1131 SM(d18:1/24:4) [M-H-CH3]- C47H90N2O6P 795.638001 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1131 SM(d18:1/24:4) [M-H-CH3]- C47H90N2O6P 795.638001 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1131 SM(d18:1/24:4) [M-H-CH3]- C47H90N2O6P 795.638001 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1131 SM(d18:1/24:4) [M-H-CH3]- C47H90N2O6P 795.638001 masses lipides attendues Inhousejuil11 NA NA +PJ037312 GCCCCCCC C23H40N8O9S7 796.0964 NA PeJP NA NA +MJ094660 4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1-O-(3,4-Dihydroxy-E-cinnamoyl), 3-O-(3,4,5-trihydroxybenzoyl) C36H28O21 796.112307 NA MeJP NA NA +PJ037313 CCCCNDH C26H40N10O11S4 796.1761 NA PeJP NA NA +MJ094661 Ulithiacyclamide B C35H40N8O6S4 796.195363 NA MeJP NA NA +PJ037314 GPPCCCCD C28H44N8O11S4 796.2013 NA PeJP NA NA +PJ037315 CCNNNDD C26H40N10O15S2 796.2116 NA PeJP NA NA +PJ037316 GGGGCCNDD C26H40N10O15S2 796.2117 NA PeJP NA NA +PJ037317 SCCCNMH C27H44N10O10S4 796.2125 NA PeJP NA NA +PJ037318 SCNDDDE C27H40N8O18S 796.2182 NA PeJP NA NA +PJ037319 PCCNDDM C28H44N8O13S3 796.219 NA PeJP NA NA +PJ037320 CCDMYY C33H44N6O11S3 796.223 NA PeJP NA NA +MJ094662 Riboflavine; 2',3',4',5'-Tetranicotinate C41H32N8O10 796.224139 NA MeJP NA NA +PJ037321 GSSTCCCH C27H44N10O12S3 796.2303 NA PeJP NA NA +PJ037322 GSCDDDW C31H40N8O15S 796.2334 NA PeJP NA NA +PJ037323 GPCCCEW C32H44N8O10S3 796.2343 NA PeJP NA NA +PJ037324 GSSSDDDD C27H40N8O20 796.2359 NA PeJP NA NA +PJ037325 GNDDDMM C28H44N8O15S2 796.2368 NA PeJP NA NA +PJ037326 GSPPCCCM C29H48N8O10S4 796.2377 NA PeJP NA NA +PJ037327 CCMMFY C34H48N6O8S4 796.2417 NA PeJP NA NA +FL3FABGS0015 Acacetin 7-O-[6''-O-glucosyl-2''-O-(3'''-acetylrhamnosyl)glucoside C36H44O20 796.24259 188342-30-5 knapsack NA NA +FL3FABGS0021 Acacetin 7-Rhamnosyl-(1->6)[2''-acetylglucosyl-(1->2)glucoside];7-[(O-2-O-Acetyl-beta-D-glucopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C36H44O20 796.24259 206257-40-1 knapsack NA NA +FL3FABGS0022 Acacetin 7-[6'''-acetylglucosyl-(1->2)]-rhamnosyl-(1->6)-glucoside;7-[(O-6-O-Acetyl-beta-D-glucopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C36H44O20 796.24259 394210-62-9 knapsack NA NA +MJ094663 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[3-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C36H44O20 796.242593 NA MeJP NA NA +MJ094664 ?-D-Fructofuranosyl ?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside; 3',4-Dibenzoyl, 1',6''-di-Ac C36H44O20 796.242593 NA MeJP NA NA +MJ094665 ?-D-Fructofuranosyl ?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside; 3',4-Dibenzoyl, 1',6-di-Ac C36H44O20 796.242593 NA MeJP NA NA +MJ094666 Sucrose; 3',6-Bis-O-(4-hydroxy-3,5-dimethoxycinnamoyl), 4-Ac C36H44O20 796.242593 NA MeJP NA NA +PJ037328 GCCCQHF C31H44N10O9S3 796.2455 NA PeJP NA NA +PJ037329 GCCDDER C27H44N10O14S2 796.248 NA PeJP NA NA +PJ037330 TCCCCKH C28H48N10O9S4 796.2489 NA PeJP NA NA +PJ037331 PCCCWW C36H44N8O7S3 796.2495 NA PeJP NA NA +PJ037332 GNDDDDF C31H40N8O17 796.2512 NA PeJP NA NA +PJ037333 CNDEMW C32H44N8O12S2 796.252 NA PeJP NA NA +PJ037334 SSNDDEM C28H44N8O17S 796.2545 NA PeJP NA NA +PJ037335 GGSSDDEM C28H44N8O17S 796.2546 NA PeJP NA NA +PJ037336 SPCNDMM C29H48N8O12S3 796.2554 NA PeJP NA NA +PJ037337 GCNDDHH C29H40N12O13S 796.2559 NA PeJP NA NA +PJ037338 CCDFFY C37H44N6O10S2 796.2561 NA PeJP NA NA +PJ037339 SCMMYY C34H48N6O10S3 796.2594 NA PeJP NA NA +PJ037340 EEEEMM C30H48N6O15S2 796.2619 NA PeJP NA NA +PJ037341 CCDDRW C31H44N10O11S2 796.2633 NA PeJP NA NA +PJ037342 SSCDDDR C27H44N10O16S 796.2658 NA PeJP NA NA +PJ037343 SPCCCER C28H48N10O11S3 796.2666 NA PeJP NA NA +PJ037344 GGGCNQMM C28H48N10O11S3 796.2667 NA PeJP NA NA +PJ037345 GCDMWW C36H44N8O9S2 796.2673 NA PeJP NA NA +PJ037346 GSSDDMW C32H44N8O14S 796.2698 NA PeJP NA NA +PJ037347 GPTCCMW C33H48N8O9S3 796.2707 NA PeJP NA NA +PJ037348 GSSSSDEE C28H44N8O19 796.2723 NA PeJP NA NA +PJ037349 GSNEEMM C29H48N8O14S2 796.2732 NA PeJP NA NA +PJ037350 GCEYYY C37H44N6O12S 796.2738 NA PeJP NA NA +PJ037351 GPCQMMM C30H52N8O9S4 796.274 NA PeJP NA NA +PJ037352 GGAPCMMM C30H52N8O9S4 796.2741 NA PeJP NA NA +PJ037353 SPCCNHH C30H44N12O10S2 796.2745 NA PeJP NA NA +PJ037354 CCMFFF C38H48N6O7S3 796.2747 NA PeJP NA NA +PJ037355 DEEEEF C33H44N6O17 796.2763 NA PeJP NA NA +PJ037356 GCCNNMR C27H48N12O10S3 796.2779 NA PeJP NA NA +PJ037357 SSSCNNW C31H44N10O13S 796.281 NA PeJP NA NA +PJ037358 GGGGGGGCEF C31H44N10O13S 796.2811 NA PeJP NA NA +PJ037359 GCCCKHF C32H48N10O8S3 796.2819 NA PeJP NA NA +PJ037360 SSSSSNND C27H44N10O18 796.2835 NA PeJP NA NA +PJ037361 GSCDEMR C28H48N10O13S2 796.2844 NA PeJP NA NA +PJ037362 SSCEWW C36H44N8O11S 796.2851 NA PeJP NA NA +PJ037363 GPCCMMR C29H52N10O8S4 796.2853 NA PeJP NA NA +PJ037364 SSSSDEW C32H44N8O16 796.2875 NA PeJP NA NA +PJ037365 NNEEEY C32H44N8O16 796.2876 NA PeJP NA NA +PJ037366 SNEMMW C33H48N8O11S2 796.2884 NA PeJP NA NA +MJ094667 Lipopurealins; Lipopurealin E C36H58Br2N6O4 796.288629 NA MeJP NA NA +PJ037367 CYYYW C41H44N6O9S 796.2891 NA PeJP NA NA +PJ037368 SSSQEEM C29H48N8O16S 796.2909 NA PeJP NA NA +PJ037369 SSDYYY C37H44N6O14 796.2916 NA PeJP NA NA +PJ037370 QQEMMM C30H52N8O11S3 796.2918 NA PeJP NA NA +PJ037371 GSNDMHH C30H44N12O12S 796.2923 NA PeJP NA NA +PJ037372 ACMFYY C38H48N6O9S2 796.2924 NA PeJP NA NA +PJ037373 PEEEMY C34H48N6O14S 796.295 NA PeJP NA NA +PJ037374 SSCCNQR C27H48N12O12S2 796.2956 NA PeJP NA NA +PJ037375 GGGGSTCCR C27H48N12O12S2 796.2957 NA PeJP NA NA +PJ037376 CNNNFW C35H44N10O10S 796.2963 NA PeJP NA NA +PJ037377 NDDDRY C31H44N10O15 796.2988 NA PeJP NA NA +PJ037378 SCDMRW C32H48N10O10S2 796.2997 NA PeJP NA NA +PJ037379 DDHHHH C32H40N14O11 796.3001 NA PeJP NA NA +PJ037380 SSSDDMR C28H48N10O15S 796.3022 NA PeJP NA NA +PJ037381 GNEEYW C36H44N8O13 796.3028 NA PeJP NA NA +PJ037382 NDMMMR C29H52N10O10S3 796.303 NA PeJP NA NA +PJ037383 GGGGGCKMM C29H52N10O10S3 796.3031 NA PeJP NA NA +PJ037384 GSMMWW C37H48N8O8S2 796.3037 NA PeJP NA NA +PJ037385 GSSTEMW C33H48N8O13S 796.3062 NA PeJP NA NA +PJ037386 AQMMMW C34H52N8O8S3 796.307 NA PeJP NA NA +PJ037387 GAAMMMW C34H52N8O8S3 796.3071 NA PeJP NA NA +PJ037388 SCQHHW C34H44N12O9S 796.3075 NA PeJP NA NA +PJ037389 GSSSTTEE C29H48N8O18 796.3087 NA PeJP NA NA +MJ094668 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,7,9-Tribenzoyl, 4,13-di-Ac C45H48O13 796.309491 NA MeJP NA NA +MJ094669 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,9,10-Tribenzoyl, 4,13-di-Ac C45H48O13 796.309491 NA MeJP NA NA +PJ037390 GTTQEMM C30H52N8O13S2 796.3095 NA PeJP NA NA +PJ037391 GSDKEMM C30H52N8O13S2 796.3096 NA PeJP NA NA +PJ037392 SSSNEHH C30H44N12O14 796.31 NA PeJP NA NA +PJ037393 GGGGGGSPDH C30H44N12O14 796.3101 NA PeJP NA NA +PJ037394 GTMYYY C38H48N6O11S 796.3102 NA PeJP NA NA +PJ037395 GPCKMMM C31H56N8O8S4 796.3104 NA PeJP NA NA +PJ037396 NQMMHH C31H48N12O9S2 796.3109 NA PeJP NA NA +PJ037397 VEEEEY C34H48N6O16 796.3127 NA PeJP NA NA +PJ037398 GSSSSCNR C27H48N12O14S 796.3134 NA PeJP NA NA +PJ037399 SNNNYW C35H44N10O12 796.314 NA PeJP NA NA +PJ037400 GGGGSNYW C35H44N10O12 796.3141 NA PeJP NA NA +PJ037401 CCEMRR C28H52N12O9S3 796.3143 NA PeJP NA NA +MJ094670 Terracinolide A; 13?-Hydroxy, 6-debenzoyl, 6-Ac C38H52O18 796.315364 NA MeJP NA NA +MJ094671 Terracinolide A; 1?-Acetoxy, 6-debenzoyl, 15-de-Ac, 6-Ac C38H52O18 796.315364 NA MeJP NA NA +PJ037402 GSPCDRY C32H48N10O12S 796.3174 NA PeJP NA NA +PJ037403 NEYWW C40H44N8O10 796.3181 NA PeJP NA NA +PJ037404 ACMMRW C33H52N10O7S3 796.3183 NA PeJP NA NA +PJ037405 SSSSSSQQ C28H48N10O17 796.3199 NA PeJP NA NA +PJ037406 GSSEMMR C29H52N10O12S2 796.3208 NA PeJP NA NA +PJ037407 GNNNNQH C29H44N14O13 796.3213 NA PeJP NA NA +PJ037408 SSTMWW C37H48N8O10S 796.3214 NA PeJP NA NA +PJ037409 GGAEMFW C37H48N8O10S 796.3215 NA PeJP NA NA +PJ037410 CNMHHR C30H48N14O8S2 796.3221 NA PeJP NA NA +PJ037411 SSSTTEW C33H48N8O15 796.3239 NA PeJP NA NA +PJ037412 GGDKEEY C33H48N8O15 796.324 NA PeJP NA NA +PJ037413 SDKMMW C34H52N8O10S2 796.3248 NA PeJP NA NA +PJ037414 GSSSHHW C34H44N12O11 796.3253 NA PeJP NA NA +PJ037415 ACFFFY C42H48N6O8S 796.3255 NA PeJP NA NA +PJ037416 SSSKEEM C30H52N8O15S 796.3273 NA PeJP NA NA +PJ037417 STTYYY C38H48N6O13 796.3279 NA PeJP NA NA +PJ037418 PPEEYY C38H48N6O13 796.328 NA PeJP NA NA +PJ037419 QKEMMM C31H56N8O10S3 796.3282 NA PeJP NA NA +PJ037420 CNNQRY C31H48N12O11S 796.3286 NA PeJP NA NA +PJ037421 GGCNQRY C31H48N12O11S 796.3287 NA PeJP NA NA +PJ037422 GPDHWW C39H44N10O9 796.3293 NA PeJP NA NA +PJ037423 LEEEMF C35H52N6O13S 796.3313 NA PeJP NA NA +PJ037424 SSCCNKR C28H52N12O11S2 796.332 NA PeJP NA NA +PJ037425 GCEFRW C36H48N10O9S 796.3327 NA PeJP NA NA +PJ037426 GYWWW C44H44N8O7 796.3333 NA PeJP NA NA +PJ037427 SNEERY C32H48N10O14 796.3352 NA PeJP NA NA +PJ037428 SSMMRW C33H52N10O9S2 796.336 NA PeJP NA NA +PJ037429 GAPCMRY C33H52N10O9S2 796.3361 NA PeJP NA NA +PJ037430 TEHHHH C33H44N14O10 796.3365 NA PeJP NA NA +PJ037431 QMFWW C41H48N8O7S 796.3367 NA PeJP NA NA +PJ037432 SSSTEMR C29H52N10O14S 796.3385 NA PeJP NA NA +PJ037433 GGGSSSSKM C29H52N10O14S 796.3386 NA PeJP NA NA +PJ037434 GDKEYW C37H48N8O12 796.3392 NA PeJP NA NA +PJ037435 TQMMMR C30H56N10O9S3 796.3394 NA PeJP NA NA +PJ037436 GSTCHHR C30H48N14O10S 796.3399 NA PeJP NA NA +PJ037437 CLMHFF C38H52N8O7S2 796.3401 NA PeJP NA NA +PJ037438 GNHHFW C38H44N12O8 796.3405 NA PeJP NA NA +PJ037439 GGGHHFW C38H44N12O8 796.3406 NA PeJP NA NA +PJ037440 SSSSLMW C34H52N8O12S 796.3426 NA PeJP NA NA +PJ037441 AAFYYY C42H48N6O10 796.3432 NA PeJP NA NA +PJ037442 AKMMMW C35H56N8O7S3 796.3434 NA PeJP NA NA +PJ037443 SCKHHW C35H48N12O8S 796.3439 NA PeJP NA NA +PJ037444 SSSSSTLE C30H52N8O17 796.3451 NA PeJP NA NA +PJ037445 GTTKEMM C31H56N8O12S2 796.3459 NA PeJP NA NA +7553 ACE inhibitor CWLPVY 796.346 antioxidative Inhouse_peptide NA peptide +PJ037446 GSSNNRY C31H48N12O13 796.3464 NA PeJP NA NA +PJ037447 GGGGGGGGGAPP C31H48N12O13 796.3465 NA PeJP NA NA +PJ037448 PCCRRY C32H52N12O8S2 796.3473 NA PeJP NA NA +PJ037449 CFRWW C40H48N10O6S 796.3479 NA PeJP NA NA +PJ037450 GSERYW C36H48N10O11 796.3504 NA PeJP NA NA +PJ037451 GGGGGAQFF C36H48N10O11 796.3505 NA PeJP NA NA +PJ037452 TCMMRR C29H56N12O8S3 796.3507 NA PeJP NA NA +PJ037453 AQEMRY C33H52N10O11S 796.3538 NA PeJP NA NA +PJ037454 DKYWW C41H48N8O9 796.3544 NA PeJP NA NA +PJ037455 GSVYWW C41H48N8O9 796.3545 NA PeJP NA NA +PJ037456 VMHHHH C34H48N14O7S 796.3552 NA PeJP NA NA +PJ037457 SSSSSSQK C29H52N10O16 796.3563 NA PeJP NA NA +PJ037458 GTTTMMR C30H56N10O11S2 796.3572 NA PeJP NA NA +PJ037459 SSSSHHR C30H48N14O12 796.3576 NA PeJP NA NA +PJ037460 GGGGQEHR C30H48N14O12 796.3577 NA PeJP NA NA +PJ037461 GLQMYW C38H52N8O9S 796.3578 NA PeJP NA NA +PJ037462 STTTTTW C34H52N8O14 796.3603 NA PeJP NA NA +PJ037463 TTKMMW C35H56N8O9S2 796.3612 NA PeJP NA NA +PJ037464 SPDHRW C35H48N12O10 796.3617 NA PeJP NA NA +PJ037465 STTTKEM C31H56N8O14S 796.3637 NA PeJP NA NA +PJ037466 PLEEFY C39H52N6O12 796.3643 NA PeJP NA NA +PJ037467 KKEMMM C32H60N8O9S3 796.3646 NA PeJP NA NA +PJ037468 GDMRRY C32H52N12O10S 796.365 NA PeJP NA NA +PJ037469 GGGGCKRY C32H52N12O10S 796.3651 NA PeJP NA NA +PJ037470 SRYWW C40H48N10O8 796.3657 NA PeJP NA NA +PJ037471 LLEEMY C36H56N6O12S 796.3677 NA PeJP NA NA +PJ037472 AAMRYW C37H52N10O8S 796.3691 NA PeJP NA NA +PJ037473 ASTNNKY C33H52N10O13 796.3715 NA PeJP NA NA +PJ037474 SDKERY C33H52N10O13 796.3716 NA PeJP NA NA +PJ037475 PCKMRY C34H56N10O8S2 796.3724 NA PeJP NA NA +PJ037476 GNQHRW C34H48N14O9 796.3729 NA PeJP NA NA +PJ037477 KMFWW C42H52N8O6S 796.3731 NA PeJP NA NA +PJ037478 STTTTMR C30H56N10O13S 796.3749 NA PeJP NA NA +PJ037479 ATKEYW C38H52N8O11 796.3756 NA PeJP NA NA +PJ037480 TKMMMR C31H60N10O8S3 796.3758 NA PeJP NA NA +PJ037481 PCEHRR C31H52N14O9S 796.3763 NA PeJP NA NA +PJ037482 GPTTKMY C35H56N8O11S 796.3789 NA PeJP NA NA +PJ037483 VQKEMY C35H56N8O11S 796.379 NA PeJP NA NA +PJ037484 APMHRW C36H52N12O7S 796.3803 NA PeJP NA NA +PJ037485 SSSTTTTL C31H56N8O16 796.3814 NA PeJP NA NA +PJ037486 SSTLKMM C32H60N8O11S2 796.3823 NA PeJP NA NA +PJ037487 SSERRY C32H52N12O12 796.3828 NA PeJP NA NA +PJ037488 GMMFRR C33H56N12O7S2 796.3837 NA PeJP NA NA +PJ037489 PNHHHR C33H48N16O8 796.3841 NA PeJP NA NA +PJ037490 GGPHHHR C33H48N16O8 796.3842 NA PeJP NA NA +PJ037491 ATTRYW C37H52N10O10 796.3868 NA PeJP NA NA +MJ094672 22,28-Epoxy-3,24,26,28-tetrahydroxystigmasta-8,14-dien-21,23-olide, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucopyranoside] C40H60O16 796.388135 NA MeJP NA NA +PJ037492 AKEMRY C34H56N10O10S 796.3902 NA PeJP NA NA +PJ037493 GPKFYW C42H52N8O8 796.3908 NA PeJP NA NA +PJ037494 GGALFFW C42H52N8O8 796.3909 NA PeJP NA NA +MJ094673 Cholestane-3,6,8,15,24-pentol, 24-O-[?-D-Xylopyranosyl-(1?2)-3-O-sulfo-?-L-arabinofuranoside] C37H64O16S 796.391506 NA MeJP NA NA +MJ094674 Cholestane-3,6,8,15,24-pentol, 24-O-[?-D-Xylopyranosyl-(1?2)-5-O-sulfo-?-L-arabinofuranoside] C37H64O16S 796.391506 NA MeJP NA NA +PJ037495 SSSSSSKK C30H56N10O15 796.3927 NA PeJP NA NA +PJ037496 STCCKKK C31H60N10O10S2 796.3936 NA PeJP NA NA +PJ037497 AEEHRR C31H52N14O11 796.394 NA PeJP NA NA +PJ037498 GGGGKEHR C31H52N14O11 796.3941 NA PeJP NA NA +PJ037499 GLKMYW C39H56N8O8S 796.3942 NA PeJP NA NA +PJ037500 TKKEEY C35H56N8O13 796.3967 NA PeJP NA NA +PJ037501 PKKMMY C36H60N8O8S2 796.3976 NA PeJP NA NA +PJ037502 GLEHRW C36H52N12O9 796.3981 NA PeJP NA NA +PJ037503 PLLEYY C40H56N6O11 796.4007 NA PeJP NA NA +PJ037504 ATMRRY C33H56N12O9S 796.4014 NA PeJP NA NA +PJ037505 GVLHWW C41H52N10O7 796.4021 NA PeJP NA NA +MJ094675 Vinblastine; N-De-Me C45H56N4O9 796.404729 NA MeJP NA NA +PJ037506 SNQHRR C30H52N16O10 796.4053 NA PeJP NA NA +PJ037507 PVKMHW C38H56N10O7S 796.4055 NA PeJP NA NA +PJ037508 TTKERY C34H56N10O12 796.4079 NA PeJP NA NA +PJ037509 GGGSTKKY C34H56N10O12 796.408 NA PeJP NA NA +PJ037510 CLKMFR C35H60N10O7S2 796.4088 NA PeJP NA NA +PJ037511 GNKHRW C35H52N14O8 796.4093 NA PeJP NA NA +PJ037512 STLKYW C39H56N8O10 796.412 NA PeJP NA NA +PJ037513 PTMHRR C32H56N14O8S 796.4127 NA PeJP NA NA +PJ037514 LHRWW C40H52N12O6 796.4133 NA PeJP NA NA +MJ094676 Mocimycin C43H60N2O12 796.414625 NA MeJP NA NA +PJ037515 VKKEMY C36H60N8O10S 796.4153 NA PeJP NA NA +PJ037516 PPPVKEM C36H60N8O10S 796.4154 NA PeJP NA NA +MJ094677 3,27-Dihydroxy-12-oleanen-28-oic acid, 3,27-Bis(3,4-dihydroxycinnamoyl)(E-) C48H60O10 796.418648 NA MeJP NA NA +PJ037517 TTTRRY C33H56N12O11 796.4192 NA PeJP NA NA +PJ037518 PPLERW C38H56N10O9 796.4232 NA PeJP NA NA +C08861 Diginatin C41H64O15 796.4245 NA KEGG NA NA +MJ094678 17,22,24-Trihydroxy-28-hopanoic acid; 17?-form, 30-Carboxylic acid, 28?22-lactone, 24-O-[?-L-arabinofuranosyl-(1?2)-?-D-glucopyranoside] C41H64O15 796.424521 NA MeJP NA NA +MJ094679 2,3,16,21,23-Pentahydroxy-12-oleanen-28-oic acid, 28?21 Lactone, 3-O-[?-L-arabinopyranosyl(1?6)-?-D-glucopyranoside] C41H64O15 796.424521 NA MeJP NA NA +MJ094680 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C41H64O15 796.424521 NA MeJP NA NA +MJ094681 Dendrosterone; Gentiobioside C41H64O15 796.424521 NA MeJP NA NA +PJ037519 SLKMRY C35H60N10O9S 796.4266 NA PeJP NA NA +PJ037520 PPVLWW C43H56N8O7 796.4272 NA PeJP NA NA +PJ037521 SLEHRR C32H56N14O10 796.4304 NA PeJP NA NA +MJ094682 Bottromycin B1 C40H60N8O7S 796.430567 NA MeJP NA NA +PJ037522 PKKMFF C40H60N8O7S 796.4306 NA PeJP NA NA +3711 NA SSRDRNKPFKFVL 796.4319 MH2+ Inhouse_peptide NA peptide +PJ037523 SSSLLKY C36H60N8O12 796.4331 NA PeJP NA NA +PJ037524 LKKMMF C37H64N8O7S2 796.434 NA PeJP NA NA +PJ037525 SVLHRW C37H56N12O8 796.4344 NA PeJP NA NA +PJ037526 GGPPKRW C37H56N12O8 796.4345 NA PeJP NA NA +PJ037527 LLLEFY C41H60N6O10 796.4371 NA PeJP NA NA +PJ037528 LLQMHR C34H60N12O8S 796.4378 NA PeJP NA NA +PJ037529 SNKHRR C31H56N16O9 796.4417 NA PeJP NA NA +PJ037530 GSSKKKY C35H60N10O11 796.4443 NA PeJP NA NA +PJ037531 GAAPPKKE C35H60N10O11 796.4444 NA PeJP NA NA +PJ037532 FRRRY C36H56N14O7 796.4457 NA PeJP NA NA +PJ037533 VLQKFY C40H60N8O9 796.4483 NA PeJP NA NA +PJ037534 APPTLLW C40H60N8O9 796.4484 NA PeJP NA NA +PJ037535 CLLHRR C33H60N14O7S 796.449 NA PeJP NA NA +PJ037536 VVMHRR C33H60N14O7S 796.4491 NA PeJP NA NA +PJ037537 PPVLLQM C37H64N8O9S 796.4517 NA PeJP NA NA +MJ094683 Edeine; Edeine B1 C34H60N12O10 796.455536 NA MeJP NA NA +PJ037538 GTTLLHR C34H60N12O10 796.4556 NA PeJP NA NA +PJ037539 TLLKHW C39H60N10O8 796.4596 NA PeJP NA NA +MJ094684 11,13(18)-Oleanadiene-3,16,23,28,30-pentol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094685 12-Oleanene-3,11,16,23,28-pentol, 11-Ketone, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094686 12-Oleanene-3,16,28-triol, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranoside C42H68O14 796.460906 NA MeJP NA NA +MJ094687 12-Oleanene-3,22,24-triol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094688 12-Oleanene-3,22,24-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094689 13,28-Epoxy-11-oleanene-3,16,21,23-tetrol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094690 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094691 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094692 2,3,19-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094693 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl] ester C42H68O14 796.460906 NA MeJP NA NA +MJ094694 2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094695 2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094696 2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester C42H68O14 796.460906 NA MeJP NA NA +MJ094697 2,3-Dihydroxy-12-oleanen-28-oic acid, [?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester C42H68O14 796.460906 NA MeJP NA NA +MJ094698 20(29)-Lupene-3,23,28-triol, 28-Carboxylic acid, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C42H68O14 796.460906 NA MeJP NA NA +MJ094699 20,24-Epoxy-3,25-dihydroxy-5-cucurbiten-11-one, 3,25-Di-O-?-D-glucopyranoside C42H68O14 796.460906 NA MeJP NA NA +MJ094700 20,24-Epoxycycloartane-3,6,16,25-tetrol, 6-O-?-D-Xylopyranoside, 3-O-(2-O-acetyl-?-D-xylopyranoside) C42H68O14 796.460906 NA MeJP NA NA +MJ094701 21,23-Epoxycycloart-24-ene-3,21,22,29-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094702 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester C42H68O14 796.460906 NA MeJP NA NA +MJ094703 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094704 3,19-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester C42H68O14 796.460906 NA MeJP NA NA +MJ094705 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester C42H68O14 796.460906 NA MeJP NA NA +MJ094706 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094707 3,20,26-Trihydroxycucurbita-5,24-dien-11-one, 3,26-Di-O-?-D-glucopyranoside C42H68O14 796.460906 NA MeJP NA NA +MJ094708 3,22,24-Trihydroxy-28-hopanoic acid, 28?22 Lactone, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094709 3,6,16-Trihydroxycycloart-25-en-24-one, 3,16-Di-O-?-D-glucopyranoside C42H68O14 796.460906 NA MeJP NA NA +MJ094710 Gouanogenin B; 3-[O-?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094711 Hederagenin 28-glycosyl esters; 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C42H68O14 796.460906 NA MeJP NA NA +MJ094712 Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094713 Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094714 Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094715 Hovenolactone; 3-O-(2-O-?-L-Rhamnopyranosyl-?-D-glucopyranoside) C42H68O14 796.460906 NA MeJP NA NA +MJ094716 Mabiogenin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C42H68O14 796.460906 NA MeJP NA NA +MJ094717 Trevoagenin D; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C42H68O14 796.460906 NA MeJP NA NA +PJ037540 CKKKKY C36H64N10O8S 796.463 NA PeJP NA NA +PJ037541 GSPPKRR C33H60N14O9 796.4668 NA PeJP NA NA +PJ037542 PPTLLKE C37H64N8O11 796.4695 NA PeJP NA NA +PJ037543 AKKKHW C38H60N12O7 796.4708 NA PeJP NA NA +PJ037544 LLLLYY C42H64N6O9 796.4735 NA PeJP NA NA +PJ037545 LLKMHR C35H64N12O7S 796.4742 NA PeJP NA NA +PJ037546 PVNRRR C32H60N16O8 796.478 NA PeJP NA NA +PJ037547 GGPVRRR C32H60N16O8 796.4781 NA PeJP NA NA +PJ037548 GPLLLER C36H64N10O10 796.4807 NA PeJP NA NA +MJ094718 Amidomycin C40H68N4O12 796.483373 NA MeJP NA NA +PJ037549 VLKKFY C41H64N8O8 796.4847 NA PeJP NA NA +PJ037550 GPVLLLW C41H64N8O8 796.4848 NA PeJP NA NA +PJ037551 PPVLLKM C38H68N8O8S 796.4881 NA PeJP NA NA +PJ037552 GPRRRR C31H60N18O7 796.4893 NA PeJP NA NA +PJ037553 APPTKKR C35H64N12O9 796.492 NA PeJP NA NA +PJ037554 PLLLRW C40H64N10O7 796.496 NA PeJP NA NA +MJ094719 12-Oleanene-3,11,16,28-tetrol, 11-Me ether, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C43H72O13 796.497292 NA MeJP NA NA +MJ094720 20,24-Epoxydammarane-3,12,25-triol, 3-O-(5-O-Acetyl-?-L-arabinopyranoside), 12-O-?-L-rhamnopyranoside C43H72O13 796.497292 NA MeJP NA NA +MJ094721 3,14,21-Trihydroxypregnan-20-one, 3-O-[?-D-Diginopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside], 21-Me ether C43H72O13 796.497292 NA MeJP NA NA +MJ094722 Bafilomycin A1; O19-Me, O21-(2-O-methyl-?-L-rhamnopyranoside) C43H72O13 796.497292 NA MeJP NA NA +MJ094723 Dolabelide B; 11-Ac C43H72O13 796.497292 NA MeJP NA NA +MJ094724 Dolabelide D; 7,11-Di-Ac C43H72O13 796.497292 NA MeJP NA NA +PJ037555 PLQKRR C34H64N14O8 796.5032 NA PeJP NA NA +PJ037556 PVVLLKE C38H68N8O10 796.5059 NA PeJP NA NA +MJ094725 1,2-Di-O-acylglycerols; Glycerol 1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoate) 2-(6Z,9Z,12Z,15Zoctadecateraenoate), 3-O-?-D-Galactopyranoside (2R-) C47H72O10 796.512548 NA MeJP NA NA +MJ094726 Osirisyne A; 19-Deoxo, 21-oxo, 31-deoxy C47H72O10 796.512548 NA MeJP NA NA +MJ094727 Osirisyne A; 31-Deoxy C47H72O10 796.512548 NA MeJP NA NA +MJ094728 Osirisyne E C47H72O10 796.512548 NA MeJP NA NA +PJ037557 SPVLLLR C37H68N10O9 796.5171 NA PeJP NA NA +HMDB10582 PG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C44H77O10P 796.525452 NA HMDB2010 NA NA +HMDB10583 PG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C44H77O10P 796.525452 NA HMDB2010 NA NA +HMDB10596 PG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C44H77O10P 796.525452 NA HMDB2010 NA NA +HMDB10625 PG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C44H77O10P 796.525452 NA HMDB2010 NA NA +HMDB10640 PG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C44H77O10P 796.525452 NA HMDB2010 NA NA +HMDB10653 PG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)) C44H77O10P 796.525452 NA HMDB2010 NA NA +HMDB10654 PG(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)) C44H77O10P 796.525452 NA HMDB2010 NA NA +PJ037558 GPVLKKR C36H68N12O8 796.5283 NA PeJP NA NA +MJ094729 Bovine seminolipid C41H80O12S 796.537048 NA MeJP NA NA +PJ037559 PLKKRR C35H68N14O7 796.5396 NA PeJP NA NA +PJ037560 PTLLLLK C39H72N8O9 796.5423 NA PeJP NA NA +PJ037561 GLLLLLR C38H72N10O8 796.5535 NA PeJP NA NA +MJ094730 Siphonaxanthin; 6'-Hydroxy, 19-O-(2E-dodecenoyl) C52H76O6 796.56419 NA MeJP NA NA +PJ037562 VVLLLLK C40H76N8O8 796.5786 NA PeJP NA NA +MJ094731 Coenzyme Q; Coenzyme Q9, 34',35'-Dihydro C54H84O4 796.636961 NA MeJP NA NA +MJ094732 1-Triacontanol; Hexacosanoyl C56H92O2 796.709732 NA MeJP NA NA +MJ094733 9,10-Secostigmasta-5,9(11)-dien-3-ol, 3-(7,16-Dihydroxytetracosanoyl) C53H96O4 796.730861 NA MeJP NA NA +MJ094734 Cericerol II; 2Z,6Z-Isomer, 24-(28-hydroxyoctacosanoyl) C53H96O4 796.730861 NA MeJP NA NA +7063 coeliac toxic peptide QQPFQQQQQPLPQ 796.886 MH2+ Inhouse_peptide NA peptide +PJ037563 CCCCDDH C26H39N9O12S4 797.1601 NA PeJP NA NA +PJ037564 TCCCCCY C28H43N7O10S5 797.1675 NA PeJP NA NA +PJ037565 CCNNDDD C26H39N9O16S2 797.1957 NA PeJP NA NA +PJ037566 SCCCDMH C27H43N9O11S4 797.1965 NA PeJP NA NA +PJ037567 GCCCCFY C32H43N7O9S4 797.2005 NA PeJP NA NA +PJ037568 SCDDDDE C27H39N7O19S 797.2022 NA PeJP NA NA +PJ037569 PCCDDDM C28H43N7O14S3 797.2031 NA PeJP NA NA +PJ037570 GSPCCCND C27H43N9O13S3 797.2143 NA PeJP NA NA +PJ037571 ACCCMMH C28H47N9O8S5 797.2152 NA PeJP NA NA +PJ037572 GSCCCYY C32H43N7O11S3 797.2183 NA PeJP NA NA +PJ037573 GDDDDMM C28H43N7O16S2 797.2208 NA PeJP NA NA +PJ037574 CCCNNNQ C26H43N11O12S3 797.2255 NA PeJP NA NA +PJ037575 GCCCEHF C31H43N9O10S3 797.2295 NA PeJP NA NA +PJ037576 SCNNDDM C27H43N9O15S2 797.232 NA PeJP NA NA +MJ094735 Victorin M C31H46Cl3N7O11 797.232088 NA MeJP NA NA +PJ037577 GGGGSCDDM C27H43N9O15S2 797.2321 NA PeJP NA NA +PJ037578 SSCCMMH C28H47N9O10S4 797.2329 NA PeJP NA NA +PJ037579 GDDDDDF C31H39N7O18 797.2352 NA PeJP NA NA +PJ037580 CDDEMW C32H43N7O13S2 797.2361 NA PeJP NA NA +PJ037581 SSDDDEM C28H43N7O18S 797.2386 NA PeJP NA NA +PJ037582 SPCDDMM C29H47N7O13S3 797.2394 NA PeJP NA NA +PJ037583 GCDDDHH C29H39N11O14S 797.2399 NA PeJP NA NA +PJ037584 GSSCCNNN C26H43N11O14S2 797.2433 NA PeJP NA NA +PJ037585 PCCCCNR C27H47N11O9S4 797.2441 NA PeJP NA NA +PJ037586 GGPCCCCR C27H47N11O9S4 797.2442 NA PeJP NA NA +PJ037587 CCCHFW C35H43N9O7S3 797.2448 NA PeJP NA NA +MJ094736 Antibiotic FCE 21424; 2''-Thioxo analogue C38H43N3O14S 797.246573 NA MeJP NA NA +PJ037588 GSCCNEW C31H43N9O12S2 797.2473 NA PeJP NA NA +PJ037589 GSSSCNDE C27H43N9O17S 797.2498 NA PeJP NA NA +7773 phosphophoryn biomimetic peptide DDPNDSSDESNGNDD 797.25055 MH2+ Inhouse_peptide NA peptide +PJ037590 GCNNEMM C28H47N9O12S3 797.2507 NA PeJP NA NA +MJ094737 Tetraglycylferrichrome C29H45FeN10O13 797.251698 NA MeJP NA NA +MJ094738 Chrymutin; O-[3-O-Methyl-?-D-fucopyranosyl-(1?2)-?-D-fucopyranosyl-(1?2)-?-D-fucopyranoside] C39H43NO17 797.253098 NA MeJP NA NA +MJ094739 Perdeacylwilfortrine; 8-Ketone, 2-benzoyl, 1,9,14-tri-Ac C39H43NO17 797.253098 NA MeJP NA NA +PJ037591 GPCDDEY C32H43N7O15S 797.2538 NA PeJP NA NA +PJ037592 PPCCCEF C33H47N7O10S3 797.2547 NA PeJP NA NA +PJ037593 GSDEEMM C29H47N7O15S2 797.2572 NA PeJP NA NA +PJ037594 GPCEMMM C30H51N7O10S4 797.2581 NA PeJP NA NA +PJ037595 SPCCDHH C30H43N11O11S2 797.2585 NA PeJP NA NA +PJ037596 GCCNDMR C27H47N11O11S3 797.2619 NA PeJP NA NA +PJ037597 SCCNWW C35H43N9O9S2 797.2625 NA PeJP NA NA +PJ037598 SSSCNDW C31H43N9O14S 797.265 NA PeJP NA NA +PJ037599 GGSSSCDW C31H43N9O14S 797.2651 NA PeJP NA NA +PJ037600 CNNMMW C32H47N9O9S3 797.2659 NA PeJP NA NA +PJ037601 SSSSSNDD C27H43N9O19 797.2675 NA PeJP NA NA +PJ037602 SSNNDMM C28H47N9O14S2 797.2684 NA PeJP NA NA +PJ037603 PCDDYW C36H43N7O12S 797.2691 NA PeJP NA NA +PJ037604 PCCCNKM C29H51N9O9S4 797.2693 NA PeJP NA NA +PJ037605 GCCNQHH C29H43N13O10S2 797.2698 NA PeJP NA NA +PJ037606 NDEEEY C32H43N7O17 797.2716 NA PeJP NA NA +PJ037607 SDEMMW C33H47N7O12S2 797.2724 NA PeJP NA NA +PJ037608 PCMMMW C34H51N7O7S4 797.2733 NA PeJP NA NA +PJ037609 SSSEEEM C29H47N7O17S 797.2749 NA PeJP NA NA +PJ037610 QEEMMM C30H51N7O12S3 797.2758 NA PeJP NA NA +PJ037611 GCNNNNY C30H43N11O13S 797.2763 NA PeJP NA NA +PJ037612 CCCQRW C31H47N11O8S3 797.2772 NA PeJP NA NA +PJ037613 SSCCNER C27H47N11O13S2 797.2796 NA PeJP NA NA +PJ037614 GGSSCCER C27H47N11O13S2 797.2797 NA PeJP NA NA +PJ037615 CNNDFW C35H43N9O11S 797.2803 NA PeJP NA NA +PJ037616 DDDDRY C31H43N9O16 797.2828 NA PeJP NA NA +PJ037617 GSSCQMW C32H47N9O11S2 797.2837 NA PeJP NA NA +PJ037618 GSSSSNEM C28H47N9O16S 797.2862 NA PeJP NA NA +PJ037619 GDEEYW C36H43N7O14 797.2868 NA PeJP NA NA +PJ037620 DDMMMR C29H51N9O11S3 797.287 NA PeJP NA NA +PJ037621 GGGSQMMM C29H51N9O11S3 797.2871 NA PeJP NA NA +PJ037622 SSCNNHH C29H43N13O12S 797.2875 NA PeJP NA NA +PJ037623 PCDMFW C37H47N7O9S2 797.2877 NA PeJP NA NA +PJ037624 GSPDEMY C33H47N7O14S 797.2902 NA PeJP NA NA +PJ037625 AEMMMW C34H51N7O9S3 797.2911 NA PeJP NA NA +PJ037626 SCEHHW C34H43N11O10S 797.2915 NA PeJP NA NA +PJ037627 GTTEEMM C30H51N7O14S2 797.2936 NA PeJP NA NA +PJ037628 SSSDEHH C30H43N11O15 797.294 NA PeJP NA NA +PJ037629 GGSPNDDH C30H43N11O15 797.2941 NA PeJP NA NA +PJ037630 GPTMMMM C31H55N7O9S4 797.2944 NA PeJP NA NA +PJ037631 GSSCCRW C31H47N11O10S2 797.2949 NA PeJP NA NA +C18136 2''-Adenylylgentamicin A C28H48N9O16P 797.2957 NA KEGG NA NA +PJ037632 GSSSSCDR C27H47N11O15S 797.2974 NA PeJP NA NA +PJ037633 SNNDYW C35H43N9O13 797.2981 NA PeJP NA NA +PJ037634 GSCNMMR C28H51N11O10S3 797.2983 NA PeJP NA NA +PJ037635 CNMHFF C36H47N9O8S2 797.2989 NA PeJP NA NA +PJ037636 SSSSNMW C32H47N9O13S 797.3014 NA PeJP NA NA +PJ037637 GGGGGAEMY C32H47N9O13S 797.3015 NA PeJP NA NA +MJ094740 Des(diserylglycyl)ferrirhodin C33H53FeN6O13 797.302002 NA MeJP NA NA +PJ037638 DEYWW C40H43N7O11 797.3021 NA PeJP NA NA +PJ037639 CCQKMW C33H51N9O8S3 797.3023 NA PeJP NA NA +PJ037640 SSSSSSQE C28H47N9O18 797.3039 NA PeJP NA NA +PJ037641 SSSQQMM C29H51N9O13S2 797.3048 NA PeJP NA NA +PJ037642 GNNNNEH C29H43N13O14 797.3053 NA PeJP NA NA +PJ037643 SPDMYW C37H47N7O11S 797.3054 NA PeJP NA NA +PJ037644 PTCEYW C37H47N7O11S 797.3055 NA PeJP NA NA +PJ037645 GCCNKHH C30H47N13O9S2 797.3061 NA PeJP NA NA +PJ037646 CDMHHR C30H47N13O9S2 797.3062 NA PeJP NA NA +PJ037647 SSSPEEY C33H47N7O16 797.3079 NA PeJP NA NA +PJ037648 TQEEEY C33H47N7O16 797.308 NA PeJP NA NA +PJ037649 TTEMMW C34H51N7O11S2 797.3088 NA PeJP NA NA +PJ037650 NDEHHF C34H43N11O12 797.3093 NA PeJP NA NA +PJ037651 GTCCCRR C27H51N13O9S3 797.3095 NA PeJP NA NA +PJ037652 GMMHHW C35H47N11O7S2 797.3102 NA PeJP NA NA +PJ037653 STTTEEM C30H51N7O16S 797.3113 NA PeJP NA NA +PJ037654 KEEMMM C31H55N7O11S3 797.3122 NA PeJP NA NA +PJ037655 CNNERY C31H47N11O12S 797.3127 NA PeJP NA NA +PJ037656 CCCKRW C32H51N11O7S3 797.3135 NA PeJP NA NA +PJ037657 CQHHHH C32H43N15O8S 797.314 NA PeJP NA NA +PJ037658 SSSCQMR C28H51N11O12S2 797.316 NA PeJP NA NA +PJ037659 GNQMYW C36H47N9O10S 797.3167 NA PeJP NA NA +PJ037660 GSSSSSTW C32H47N9O15 797.3192 NA PeJP NA NA +PJ037661 GSSCKMW C33H51N9O10S2 797.3201 NA PeJP NA NA +PJ037662 NNNNHW C33H43N13O11 797.3205 NA PeJP NA NA +PJ037663 GGGGGGNHW C33H43N13O11 797.3206 NA PeJP NA NA +PJ037664 EMFWW C41H47N7O8S 797.3207 NA PeJP NA NA +PJ037665 GSSSSDKM C29H51N9O15S 797.3226 NA PeJP NA NA +PJ037666 ATEEYW C37H47N7O13 797.3232 NA PeJP NA NA +PJ037667 TEMMMR C30H55N9O10S3 797.3234 NA PeJP NA NA +PJ037668 GPCNDHR C30H47N13O11S 797.3239 NA PeJP NA NA +PJ037669 APMMYW C38H51N7O8S2 797.3241 NA PeJP NA NA +PJ037670 GDHHFW C38H43N11O9 797.3246 NA PeJP NA NA +MJ094741 Aclacinomycin A; N-De-Me C41H51NO15 797.325869 NA MeJP NA NA +MJ094742 Auramycin A C41H51NO15 797.325869 NA MeJP NA NA +PJ037671 VQEEMY C34H51N7O13S 797.3266 NA PeJP NA NA +PJ037672 SSSCCRR C27H51N13O11S2 797.3273 NA PeJP NA NA +PJ037673 SLMMMW C35H55N7O8S3 797.3274 NA PeJP NA NA +PJ037674 VTMMMW C35H55N7O8S3 797.3275 NA PeJP NA NA +PJ037675 GCNRYW C35H47N11O9S 797.3279 NA PeJP NA NA +PJ037676 SSTLEMM C31H55N7O13S2 797.3299 NA PeJP NA NA +PJ037677 TTTCLEM C31H55N7O13S2 797.33 NA PeJP NA NA +PJ037678 GSSNDRY C31H47N11O14 797.3304 NA PeJP NA NA +PJ037679 GGGGGGPPNE C31H47N11O14 797.3305 NA PeJP NA NA +PJ037680 AALMMMM C32H59N7O8S4 797.3308 NA PeJP NA NA +PJ037681 CNQMFR C32H51N11O9S2 797.3313 NA PeJP NA NA +PJ037682 GSSHHHH C32H43N15O10 797.3318 NA PeJP NA NA +PJ037683 GSSSSSMR C28H51N11O14S 797.3338 NA PeJP NA NA +PJ037684 SSQQYW C36H47N9O12 797.3344 NA PeJP NA NA +PJ037685 GGGGTTYW C36H47N9O12 797.3345 NA PeJP NA NA +PJ037686 GTCCKMR C29H55N11O9S3 797.3347 NA PeJP NA NA +PJ037687 PPMMHW C37H51N9O7S2 797.3353 NA PeJP NA NA +PJ037688 SSSTCKW C33H51N9O12S 797.3378 NA PeJP NA NA +PJ037689 GPEFYW C41H47N7O10 797.3385 NA PeJP NA NA +PJ037690 CCKKMW C34H55N9O7S3 797.3387 NA PeJP NA NA +PJ037691 APPCHHH C34H47N13O8S 797.3392 NA PeJP NA NA +PJ037692 SSSSSSKE C29H51N9O17 797.3403 NA PeJP NA NA +PJ037693 SSSQKMM C30H55N9O12S2 797.3412 NA PeJP NA NA +PJ037694 ATNNNQH C30H47N13O13 797.3416 NA PeJP NA NA +PJ037695 NNEEHR C30H47N13O13 797.3417 NA PeJP NA NA +PJ037696 GLEMYW C38H51N7O10S 797.3418 NA PeJP NA NA +PJ037697 GAPEMFF C38H51N7O10S 797.3419 NA PeJP NA NA +PJ037698 VMMMMR C31H59N9O7S4 797.3421 NA PeJP NA NA +PJ037699 CCNFRR C31H51N13O8S2 797.3425 NA PeJP NA NA +PJ037700 TKEEEY C34H51N7O15 797.3443 NA PeJP NA NA +PJ037701 PPPTEEE C34H51N7O15 797.3444 NA PeJP NA NA +PJ037702 PKEMMY C35H55N7O10S2 797.3452 NA PeJP NA NA +PJ037703 AQQEHW C35H47N11O11 797.3457 NA PeJP NA NA +PJ037704 ATTLMMM C32H59N7O10S3 797.3486 NA PeJP NA NA +PJ037705 SNQMRY C32H51N11O11S 797.349 NA PeJP NA NA +PJ037706 GGSQMRY C32H51N11O11S 797.3491 NA PeJP NA NA +PJ037707 GNQFFW C40H47N9O9 797.3497 NA PeJP NA NA +PJ037708 CKHHHH C33H47N15O7S 797.3504 NA PeJP NA NA +PJ037709 SSSSSSTR C28H51N11O16 797.3515 NA PeJP NA NA +PJ037710 SSSCKMR C29H55N11O11S2 797.3524 NA PeJP NA NA +PJ037711 GSNNNHR C29H47N15O12 797.3529 NA PeJP NA NA +PJ037712 GNKMYW C37H51N9O9S 797.3531 NA PeJP NA NA +PJ037713 PFYWW C45H47N7O7 797.3537 NA PeJP NA NA +PJ037714 TTEERY C33H51N9O14 797.3556 NA PeJP NA NA +PJ037715 PTMMRY C34H55N9O9S2 797.3564 NA PeJP NA NA +PJ037716 VDMMFR C34H55N9O9S2 797.3565 NA PeJP NA NA +PJ037717 GNEHRW C34H47N13O10 797.3569 NA PeJP NA NA +PJ037718 LMYWW C42H51N7O7S 797.3571 NA PeJP NA NA +PJ037719 GSSSTTKM C30H55N9O14S 797.3589 NA PeJP NA NA +PJ037720 STLEYW C38H51N7O12 797.3596 NA PeJP NA NA +PJ037721 GTCKKMM C31H59N9O9S3 797.3598 NA PeJP NA NA +PJ037722 SCNRRY C31H51N13O10S 797.3603 NA PeJP NA NA +PJ037723 ALMMFW C39H55N7O7S2 797.3605 NA PeJP NA NA +PJ037724 AAQHWW C39H47N11O8 797.3609 NA PeJP NA NA +PJ037725 GGGVHWW C39H47N11O8 797.361 NA PeJP NA NA +PJ037726 VKEEMY C35H55N7O12S 797.363 NA PeJP NA NA +PJ037727 PCQKHW C36H51N11O8S 797.3643 NA PeJP NA NA +PJ037728 TTTTLMM C32H59N7O12S2 797.3663 NA PeJP NA NA +PJ037729 GSSTQRY C32H51N11O13 797.3668 NA PeJP NA NA +PJ037730 CNKMFR C33H55N11O8S2 797.3677 NA PeJP NA NA +PJ037731 PDHHHR C33H47N15O9 797.3682 NA PeJP NA NA +PJ037732 SSQKYW C37H51N9O11 797.3708 NA PeJP NA NA +PJ037733 GGGPPVEW C37H51N9O11 797.3709 NA PeJP NA NA +PJ037734 NHRWW C38H47N13O7 797.3722 NA PeJP NA NA +PJ037735 SLEMRY C34H55N9O11S 797.3742 NA PeJP NA NA +PJ037736 APVYYW C42H51N7O9 797.3748 NA PeJP NA NA +PJ037737 GPLYYW C42H51N7O9 797.3749 NA PeJP NA NA +PJ037738 AMHHFR C35H51N13O7S 797.3756 NA PeJP NA NA +PJ037739 SSSSTTTK C30H55N9O16 797.3767 NA PeJP NA NA +PJ037740 SSSKKMM C31H59N9O11S2 797.3776 NA PeJP NA NA +PJ037741 TQQEHR C31H51N13O12 797.378 NA PeJP NA NA +PJ037742 NDKEHR C31H51N13O12 797.3781 NA PeJP NA NA +PJ037743 SVLMYW C39H55N7O9S 797.3782 NA PeJP NA NA +PJ037744 SSSLLEY C35H55N7O14 797.3807 NA PeJP NA NA +PJ037745 LLQMMY C36H59N7O9S2 797.3816 NA PeJP NA NA +PJ037746 PPNERW C36H51N11O10 797.3821 NA PeJP NA NA +PJ037747 SNKMRY C33H55N11O10S 797.3854 NA PeJP NA NA +PJ037748 GGSPPPMR C33H55N11O10S 797.3855 NA PeJP NA NA +PJ037749 PPVNWW C41H51N9O8 797.3861 NA PeJP NA NA +PJ037750 SNEHRR C30H51N15O11 797.3893 NA PeJP NA NA +PJ037751 ACKKYW C38H55N9O8S 797.3895 NA PeJP NA NA +PJ037752 LFFWW C46H51N7O6 797.3901 NA PeJP NA NA +PJ037753 GTTTQKY C34H55N9O13 797.3919 NA PeJP NA NA +PJ037754 GSSKKEY C34H55N9O13 797.392 NA PeJP NA NA +PJ037755 VVMMRY C35H59N9O8S2 797.3928 NA PeJP NA NA +PJ037756 GDKHRW C35H51N13O9 797.3933 NA PeJP NA NA +PJ037757 PVKEYY C39H55N7O11 797.396 NA PeJP NA NA +PJ037758 VQQMHR C32H55N13O9S 797.3967 NA PeJP NA NA +PJ037759 GPPRWW C40H51N11O7 797.3973 NA PeJP NA NA +PJ037760 ASTLLMY C36H59N7O11S 797.3993 NA PeJP NA NA +PJ037761 GTTLLMY C36H59N7O11S 797.3994 NA PeJP NA NA +PJ037762 PCKKHW C37H55N11O7S 797.4007 NA PeJP NA NA +PJ037763 GSSTKRY C33H55N11O12 797.4032 NA PeJP NA NA +PJ037764 GSHRRW C34H51N15O8 797.4045 NA PeJP NA NA +PJ037765 SSKKYW C38H55N9O10 797.4072 NA PeJP NA NA +PJ037766 AQMHRR C31H55N15O8S 797.4079 NA PeJP NA NA +PJ037767 TQKKMY C35H59N9O10S 797.4106 NA PeJP NA NA +PJ037768 GLLFYW C43H55N7O8 797.4112 NA PeJP NA NA +PJ037769 GAPLFFF C43H55N7O8 797.4113 NA PeJP NA NA +PJ037770 GSPPERR C32H55N13O11 797.4144 NA PeJP NA NA +PJ037771 GGGGGPLQR C32H55N13O11 797.4145 NA PeJP NA NA +PJ037772 PLKMFY C40H59N7O8S 797.4146 NA PeJP NA NA +PJ037773 STTTLLY C36H59N7O13 797.4171 NA PeJP NA NA +PJ037774 LLKMMY C37H63N7O8S2 797.418 NA PeJP NA NA +PJ037775 PPDKRW C37H55N11O9 797.4185 NA PeJP NA NA +PJ037776 ACHRRR C30H55N17O7S 797.4191 NA PeJP NA NA +PJ037777 TCKKRY C34H59N11O9S 797.4218 NA PeJP NA NA +PJ037778 PVLHFW C42H55N9O7 797.4225 NA PeJP NA NA +MJ094743 Beauvericin; Beauvericin A C46H59N3O9 797.42513 NA MeJP NA NA +PJ037779 SDKHRR C31H55N15O10 797.4257 NA PeJP NA NA +PJ037780 VLLMHW C39H59N9O7S 797.4259 NA PeJP NA NA +PJ037781 GTTTKKY C35H59N9O12 797.4283 NA PeJP NA NA +PJ037782 APPKKEE C35H59N9O12 797.4284 NA PeJP NA NA +PJ037783 SPPRRW C36H55N13O8 797.4297 NA PeJP NA NA +PJ037784 VLLQYY C40H59N7O10 797.4324 NA PeJP NA NA +PJ037785 AAPPMRR C33H59N13O8S 797.4331 NA PeJP NA NA +PJ037786 PPVLLEM C37H63N7O10S 797.4358 NA PeJP NA NA +PJ037787 SSHRRR C30H55N17O9 797.4369 NA PeJP NA NA +PJ037788 APPTKER C34H59N11O11 797.4396 NA PeJP NA NA +PJ037789 VLHHHR C35H55N15O7 797.4409 NA PeJP NA NA +PJ037790 GPPTLKW C39H59N9O9 797.4436 NA PeJP NA NA +PJ037791 AKMHRR C32H59N15O7S 797.4443 NA PeJP NA NA +PJ037792 TKKKMY C36H63N9O9S 797.447 NA PeJP NA NA +PJ037793 PLKFFF C44H59N7O7 797.4476 NA PeJP NA NA +PJ037794 PLQERR C33H59N13O10 797.4508 NA PeJP NA NA +PJ037795 LLKMFF C41H63N7O7S 797.451 NA PeJP NA NA +PJ037796 PVVLLEE C37H63N7O12 797.4535 NA PeJP NA NA +PJ037797 PVLQRW C38H59N11O8 797.4548 NA PeJP NA NA +PJ037798 GGPLLRW C38H59N11O8 797.4549 NA PeJP NA NA +PJ037799 GPPLKMR C35H63N11O8S 797.4582 NA PeJP NA NA +PJ037800 PVDRRR C32H59N15O9 797.4621 NA PeJP NA NA +PJ037801 TTTLLLH C36H63N9O11 797.4647 NA PeJP NA NA +PJ037802 GGPVVLKE C36H63N9O11 797.4648 NA PeJP NA NA +PJ037803 APLRRW C37H59N13O7 797.4661 NA PeJP NA NA +MJ094744 Rhizonin B C41H63N7O9 797.468726 NA MeJP NA NA +PJ037804 VLLKYY C41H63N7O9 797.4688 NA PeJP NA NA +PJ037805 VKKMHR C34H63N13O7S 797.4695 NA PeJP NA NA +PJ037806 GPVLKER C35H63N11O10 797.476 NA PeJP NA NA +PJ037807 AAPLLKW C40H63N9O8 797.48 NA PeJP NA NA +PJ037808 PPVVKKM C37H67N9O8S 797.4834 NA PeJP NA NA +PJ037809 PLKERR C34H63N13O9 797.4872 NA PeJP NA NA +PJ037810 PTLLLLE C38H67N7O11 797.4899 NA PeJP NA NA +PJ037811 PVLKRW C39H63N11O7 797.4912 NA PeJP NA NA +MJ094745 Kulolide 1; 7,7,8,8-Tetrahydro C43H67N5O9 797.493878 NA MeJP NA NA +PJ037812 PTLRRR C33H63N15O8 797.4984 NA PeJP NA NA +PJ037813 GGPKKRR C33H63N15O8 797.4985 NA PeJP NA NA +PJ037814 APLLKKE C37H67N9O10 797.5011 NA PeJP NA NA +PJ037815 PPVLLLF C42H67N7O8 797.5052 NA PeJP NA NA +PJ037816 PVLLLLM C39H71N7O8S 797.5085 NA PeJP NA NA +PJ037817 APTLLKR C36H67N11O9 797.5124 NA PeJP NA NA +PJ037818 LLLQRR C35H67N13O8 797.5236 NA PeJP NA NA +2951 mastoparan from vespa vasalis LKLKSIVAWAKKVL~ 797.5245 MH2+ Inhouse_peptide NA peptide +PJ037819 VVLLLLE C39H71N7O10 797.5263 NA PeJP NA NA +PJ037820 VVLRRR C34H67N15O7 797.5348 NA PeJP NA NA +PJ037821 SPLLLKK C38H71N9O9 797.5375 NA PeJP NA NA +PJ037822 GVLLLKR C37H71N11O8 797.5487 NA PeJP NA NA +PJ037823 LLLKRR C36H71N13O7 797.56 NA PeJP NA NA +PJ037824 TLLLLLL C40H75N7O9 797.5627 NA PeJP NA NA +PJ037825 ALLLLKK C39H75N9O8 797.5739 NA PeJP NA NA +HMDB09041 PE(18:1(11Z)/22:2(13Z,16Z)) C45H84NO8P 797.593445 NA HMDB2010 NA NA +HMDB09074 PE(18:1(9Z)/22:2(13Z,16Z)) C45H84NO8P 797.593445 NA HMDB2010 NA NA +HMDB09106 PE(18:2(9Z,12Z)/22:1(13Z)) C45H84NO8P 797.593445 NA HMDB2010 NA NA +HMDB09138 PE(18:3(6Z,9Z,12Z)/22:0) C45H84NO8P 797.593445 NA HMDB2010 NA NA +HMDB09171 PE(18:3(9Z,12Z,15Z)/22:0) C45H84NO8P 797.593445 NA HMDB2010 NA NA +HMDB09232 PE(20:0/20:3(5Z,8Z,11Z)) C45H84NO8P 797.593445 NA HMDB2010 NA NA +HMDB09233 PE(20:0/20:3(8Z,11Z,14Z)) C45H84NO8P 797.593445 NA HMDB2010 NA NA +HMDB09264 PE(20:1(11Z)/20:2(11Z,14Z)) C45H84NO8P 797.593445 NA HMDB2010 NA NA +HMDB09296 PE(20:2(11Z,14Z)/20:1(11Z)) C45H84NO8P 797.593445 NA HMDB2010 NA NA +HMDB09328 PE(20:3(5Z,8Z,11Z)/20:0) C45H84NO8P 797.593445 NA HMDB2010 NA NA +HMDB09361 PE(20:3(8Z,11Z,14Z)/20:0) C45H84NO8P 797.593445 NA HMDB2010 NA NA +HMDB09490 PE(22:0/18:3(6Z,9Z,12Z)) C45H84NO8P 797.593445 NA HMDB2010 NA NA +HMDB09491 PE(22:0/18:3(9Z,12Z,15Z)) C45H84NO8P 797.593445 NA HMDB2010 NA NA +HMDB09522 PE(22:1(13Z)/18:2(9Z,12Z)) C45H84NO8P 797.593445 NA HMDB2010 NA NA +HMDB09553 PE(22:2(13Z,16Z)/18:1(11Z)) C45H84NO8P 797.593445 NA HMDB2010 NA NA +HMDB09554 PE(22:2(13Z,16Z)/18:1(9Z)) C45H84NO8P 797.593445 NA HMDB2010 NA NA +EUR991 PC 38:3 [M-H-CH3]- C46H86NO8P 797.593457 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR991 PC 38:3 [M-H-CH3]- C46H86NO8P 797.593457 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR991 PC 38:3 [M-H-CH3]- C46H86NO8P 797.593457 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR991 PC 38:3 [M-H-CH3]- C46H86NO8P 797.593457 masses lipides attendues Inhousejuil11 NA NA +HMDB08326 PC(20:1(11Z)/P-18:1(11Z)) C46H88NO7P 797.629822 NA HMDB2010 NA NA +HMDB08327 PC(20:1(11Z)/P-18:1(9Z)) C46H88NO7P 797.629822 NA HMDB2010 NA NA +HMDB08358 PC(20:2(11Z,14Z)/P-18:0) C46H88NO7P 797.629822 NA HMDB2010 NA NA +HMDB08619 PC(22:2(13Z,16Z)/P-16:0) C46H88NO7P 797.629822 NA HMDB2010 NA NA +HMDB11225 PC(P-16:0/22:2(13Z,16Z)) C46H88NO7P 797.629822 NA HMDB2010 NA NA +HMDB11250 PC(P-18:0/20:2(11Z,14Z)) C46H88NO7P 797.629822 NA HMDB2010 NA NA +HMDB11282 PC(P-18:1(11Z)/20:1(11Z)) C46H88NO7P 797.629822 NA HMDB2010 NA NA +HMDB11315 PC(P-18:1(9Z)/20:1(11Z)) C46H88NO7P 797.629822 NA HMDB2010 NA NA +HMDB13439 PC(o-20:0/18:3(6Z,9Z,12Z)) C46H88NO7P 797.629822 NA HMDB2010 NA NA +HMDB13440 PC(o-20:0/18:3(9Z,12Z,15Z)) C46H88NO7P 797.629822 NA HMDB2010 NA NA +MJ094746 Acanthacerebroside D C46H87NO9 797.638083 NA MeJP NA NA +EUR1126 SM(d18:1/24:2) [M-H-CH3]- C47H92N2O6P 797.653651 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1126 SM(d18:1/24:2) [M-H-CH3]- C47H92N2O6P 797.653651 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1126 SM(d18:1/24:2) [M-H-CH3]- C47H92N2O6P 797.653651 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1126 SM(d18:1/24:2) [M-H-CH3]- C47H92N2O6P 797.653651 masses lipides attendues Inhousejuil11 NA NA +MJ094747 3,4,5-Trihydroxybenzoic acid; 3-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside], [3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranosyl] ester C33H34O23 798.149087 NA MeJP NA NA +MJ094748 4',5,7-Trihydroxyflavone; 4'-O-?-D-Glucuronopyranoside, 7-O-[?-D-glucuronopyranosyl-(1??)-?-D-glucuronopyranoside] C33H34O23 798.149087 NA MeJP NA NA +MJ094749 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3,5-Bis-O-(malonyl-?-D-glucopyranoside) C33H35O23(+) 798.149087 NA MeJP NA NA +FL3FAAGS0071 Apigenin 4'-(2''-feruloylglucuronosyl)-(1->2)-glucuronide;4-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-Glucopyranosiduronic acid C37H34O20 798.16434 365971-55-7 knapsack NA NA +PJ037826 CCCCCQH C26H42N10O9S5 798.174 NA PeJP NA NA +PJ037827 CCNDDDD C26H38N8O17S2 798.1797 NA PeJP NA NA +PJ037828 GSSCCCCH C26H42N10O11S4 798.1918 NA PeJP NA NA +PJ037829 GSPCCCDD C27H42N8O14S3 798.1983 NA PeJP NA NA +PJ037830 APPCCCCC C28H46N8O9S5 798.1992 NA PeJP NA NA +PJ037831 CCCNNNE C26H42N10O13S3 798.2095 NA PeJP NA NA +PJ037832 GGGGGGCCCE C26H42N10O13S3 798.2096 NA PeJP NA NA +MJ094750 [4,4'-Biphenylenebis(sulfonyliminoethylene)]bis(trimethylammonium)(2+); Dibenzenesulfonate C34H46N4O10S4 798.209676 NA MeJP NA NA +PJ037833 CCCCCKH C27H46N10O8S5 798.2104 NA PeJP NA NA +PJ037834 SCCNDEE C27H42N8O16S2 798.216 NA PeJP NA NA +PJ037835 SCNDDDM C27H42N8O16S2 798.2161 NA PeJP NA NA +MJ094751 Victorin B; 4-Deoxy C31H45Cl3N6O12 798.216104 NA MeJP NA NA +PJ037836 PCCCNEM C28H46N8O11S4 798.2169 NA PeJP NA NA +FL5FAAGA0039 Kaempferol 3-glucosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside C35H42O21 798.22185 79395-74-7 knapsack NA NA +FL5FAAGS0128 Kaempferol 3-O-[2''-(4'''-acetyl-rhamnosyl)-6''-glucosyl] glucoside C35H42O21 798.22185 220716-15-4 knapsack NA NA +MJ094752 Astragalin; 2''-O-(4-O-Acetyl-?-L-rhamnopyranosyl), 6''-O-?-D-glucopyranosyl C35H42O21 798.221858 NA MeJP NA NA +MJ094753 Populnin; 6''-O-Ac, 3-O-[?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C35H42O21 798.221858 NA MeJP NA NA +MJ094754 Swertiamarin; 4'-O-[?-D-Glucopyranosyl-(?3)-2,3-dihydroxybenzoyl], 2',3',6'-tri-Ac C35H42O21 798.221858 NA MeJP NA NA +MJ094755 Trifolin; 6''-O-[?-D-Glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl] C35H42O21 798.221858 NA MeJP NA NA +C17919 Rindoside C35H42O21 798.2219 NA KEGG NA NA +PJ037837 GCCCNNW C30H42N10O10S3 798.2248 NA PeJP NA NA +PJ037838 GSSCCNND C26H42N10O15S2 798.2273 NA PeJP NA NA +PJ037839 PCCCCDR C27H46N10O10S4 798.2282 NA PeJP NA NA +PJ037840 GSCCDEW C31H42N8O13S2 798.2313 NA PeJP NA NA +MJ094756 Preulithiacyclamide C32H46N8O8S4 798.232143 NA MeJP NA NA +PJ037841 GPCCCMW C32H46N8O8S4 798.2322 NA PeJP NA NA +PJ037842 GSSSCDDE C27H42N8O18S 798.2338 NA PeJP NA NA +PJ037843 GCNDEMM C28H46N8O13S3 798.2347 NA PeJP NA NA +PJ037844 GCCDDMR C27H46N10O12S3 798.2459 NA PeJP NA NA +PJ037845 SCCDWW C35H42N8O10S2 798.2466 NA PeJP NA NA +PJ037846 SSSCDDW C31H42N8O15S 798.2491 NA PeJP NA NA +PJ037847 CNDMMW C32H46N8O10S3 798.2499 NA PeJP NA NA +PJ037848 SSSSSDDD C27H42N8O20 798.2516 NA PeJP NA NA +PJ037849 SSNDDMM C28H46N8O15S2 798.2524 NA PeJP NA NA +PJ037850 SPCCQMM C29H50N8O10S4 798.2533 NA PeJP NA NA +PJ037851 GCCNEHH C29H42N12O11S2 798.2538 NA PeJP NA NA +PJ037852 DDEEEY C32H42N6O18 798.2556 NA PeJP NA NA +PJ037853 SCCCNNR C26H46N12O11S3 798.2571 NA PeJP NA NA +PJ037854 GGSCCCNR C26H46N12O11S3 798.2572 NA PeJP NA NA +FL5FBFGS0001 Quercetin 5,3',4'-trimethyl ether 3-galactosyl-(1->2)-rhamnoside-7-rhamnoside C36H46O20 798.25824 - knapsack NA NA +MJ094757 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Apiofuranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-6-O-acetyl-?-D-glucopyranoside] C36H46O20 798.258243 NA MeJP NA NA +MJ094758 Forsythoside F; 2-Ac C36H46O20 798.258243 NA MeJP NA NA +PJ037855 EEEMMM C30H50N6O13S3 798.2598 NA PeJP NA NA +PJ037856 GCNNNDY C30H42N10O14S 798.2603 NA PeJP NA NA +PJ037857 CCCERW C31H46N10O9S3 798.2612 NA PeJP NA NA +PJ037858 SSCCDER C27H46N10O14S2 798.2637 NA PeJP NA NA +PJ037859 CNDDFW C35H42N8O12S 798.2643 NA PeJP NA NA +PJ037860 SPCCCMR C28H50N10O9S4 798.2645 NA PeJP NA NA +PJ037861 ACCMWW C36H46N8O7S3 798.2652 NA PeJP NA NA +PJ037862 GSNDDEY C31H42N8O17 798.2668 NA PeJP NA NA +PJ037863 GSSCEMW C32H46N8O12S2 798.2677 NA PeJP NA NA +PJ037864 CMMMHF C33H50N8O7S4 798.2686 NA PeJP NA NA +PJ037865 CCNHHW C33H42N12O8S2 798.269 NA PeJP NA NA +PJ037866 GSSSSDEM C28H46N8O17S 798.2702 NA PeJP NA NA +PJ037867 GSNEMMM C29H50N8O12S3 798.2711 NA PeJP NA NA +PJ037868 SSCNDHH C29H42N12O13S 798.2715 NA PeJP NA NA +PJ037869 GCMYYY C37H46N6O10S2 798.2717 NA PeJP NA NA +PJ037870 DEEEMF C33H46N6O15S 798.2742 NA PeJP NA NA +PJ037871 SPNDDDH C30H42N10O16 798.2781 NA PeJP NA NA +PJ037872 GCNNNMF C31H46N10O11S2 798.2789 NA PeJP NA NA +PJ037873 GGGGGGGCMF C31H46N10O11S2 798.279 NA PeJP NA NA +PJ037874 SSSSSCNQ C27H46N10O16S 798.2814 NA PeJP NA NA +PJ037875 SNDDYW C35H42N8O14 798.2821 NA PeJP NA NA +PJ037876 GSCDMMR C28H50N10O11S3 798.2823 NA PeJP NA NA +PJ037877 SSCMWW C36H46N8O9S2 798.2829 NA PeJP NA NA +PJ037878 GAPCCYW C36H46N8O9S2 798.283 NA PeJP NA NA +PJ037879 SSSSDMW C32H46N8O14S 798.2854 NA PeJP NA NA +PJ037880 GGNEEMY C32H46N8O14S 798.2855 NA PeJP NA NA +PJ037881 SNMMMW C33H50N8O9S3 798.2863 NA PeJP NA NA +PJ037882 SSSSSSEE C28H46N8O19 798.2879 NA PeJP NA NA +MJ094759 Antibiotic BE 40665A C44H46O14 798.288756 NA MeJP NA NA +PJ037883 SSSQEMM C29H50N8O14S2 798.2888 NA PeJP NA NA +PJ037884 GNNNDEH C29H42N12O15 798.2893 NA PeJP NA NA +PJ037885 STCYYY C37H46N6O12S 798.2895 NA PeJP NA NA +PJ037886 QQMMMM C30H54N8O9S4 798.2897 NA PeJP NA NA +PJ037887 GSCQMHH C30H46N12O10S2 798.2902 NA PeJP NA NA +PJ037888 TEEEEY C33H46N6O17 798.292 NA PeJP NA NA +PJ037889 PEEMMY C34H50N6O12S2 798.2928 NA PeJP NA NA +PJ037890 DDEHHF C34H42N10O13 798.2933 NA PeJP NA NA +PJ037891 GPPCCHW C35H46N10O8S2 798.2942 NA PeJP NA NA +MJ094760 Carboxyparquin C37H50O19 798.294629 NA MeJP NA NA +PJ037892 CNDERY C31H46N10O13S 798.2967 NA PeJP NA NA +PJ037893 TCCMRW C32H50N10O8S3 798.2976 NA PeJP NA NA +PJ037894 CEHHHH C32H42N14O9S 798.298 NA PeJP NA NA +PJ037895 GSSSSSSSN C27H46N10O18 798.2992 NA PeJP NA NA +PJ037896 SSSCEMR C28H50N10O13S2 798.3 NA PeJP NA NA +PJ037897 GSSSCCQK C28H50N10O13S2 798.3001 NA PeJP NA NA +PJ037898 GNEMYW C36H46N8O11S 798.3007 NA PeJP NA NA +PJ037899 CQMMMR C29H54N10O8S4 798.3009 NA PeJP NA NA +PJ037900 GSCCHHR C29H46N14O9S2 798.3014 NA PeJP NA NA +PJ037901 GSSQEEY C32H46N8O16 798.3032 NA PeJP NA NA +PJ037902 GSSTMMW C33H50N8O11S2 798.3041 NA PeJP NA NA +PJ037903 NNNDHW C33H42N12O12 798.3045 NA PeJP NA NA +PJ037904 GGNNDHW C33H42N12O12 798.3046 NA PeJP NA NA +PJ037905 GCFFYY C41H46N6O9S 798.3047 NA PeJP NA NA +PJ037906 GSSSTTEM C29H50N8O16S 798.3066 NA PeJP NA NA +PJ037907 PDEEFY C37H46N6O14 798.3072 NA PeJP NA NA +PJ037908 GTTQMMM C30H54N8O11S3 798.3074 NA PeJP NA NA +PJ037909 GSDKMMM C30H54N8O11S3 798.3075 NA PeJP NA NA +PJ037910 GPCDDHR C30H46N12O12S 798.3079 NA PeJP NA NA +PJ037911 VEEEMY C34H50N6O14S 798.3106 NA PeJP NA NA +PJ037912 GCDRYW C35H46N10O10S 798.3119 NA PeJP NA NA +PJ037913 GGPDMHW C35H46N10O10S 798.312 NA PeJP NA NA +PJ037914 CCMMRR C28H54N12O7S4 798.3122 NA PeJP NA NA +PJ037915 GSSDDRY C31H46N10O15 798.3144 NA PeJP NA NA +PJ037916 GGGGGGSSTY C31H46N10O15 798.3145 NA PeJP NA NA +PJ037917 GPTCCRY C32H50N10O10S2 798.3153 NA PeJP NA NA +PJ037918 NMYWW C40H46N8O8S 798.3159 NA PeJP NA NA +PJ037919 GGMYWW C40H46N8O8S 798.316 NA PeJP NA NA +PJ037920 SSSSSCNK C28H50N10O15S 798.3178 NA PeJP NA NA +PJ037921 SSQEYW C36H46N8O13 798.3185 NA PeJP NA NA +PJ037922 GSSMMMR C29H54N10O10S3 798.3187 NA PeJP NA NA +PJ037923 PCCKYW C37H50N8O8S2 798.3193 NA PeJP NA NA +MJ094761 Betaclamycin M; 2C,3C-Didehydro, 2C-amino, 4C-ketone C40H50N2O15 798.321118 NA MeJP NA NA +PJ037924 SSSTTMW C33H50N8O13S 798.3218 NA PeJP NA NA +PJ037925 GGPPPDEM C33H50N8O13S 798.3219 NA PeJP NA NA +PJ037926 QYYYY C41H46N6O11 798.3225 NA PeJP NA NA +PJ037927 TCKMMW C34H54N8O8S3 798.3227 NA PeJP NA NA +PJ037928 NNMHHF C34H46N12O9S 798.3232 NA PeJP NA NA +PJ037929 SSSSTTTE C29H50N8O18 798.3243 NA PeJP NA NA +PJ037930 SSSKEMM C30H54N8O13S2 798.3252 NA PeJP NA NA +PJ037931 NDEEHR C30H46N12O14 798.3257 NA PeJP NA NA +PJ037932 PPEMYY C38H50N6O11S 798.3259 NA PeJP NA NA +PJ037933 QKMMMM C31H58N8O8S4 798.3261 NA PeJP NA NA +PJ037934 SPPCCHR C31H50N12O9S2 798.3265 NA PeJP NA NA +PJ037935 CCDFRR C31H50N12O9S2 798.3266 NA PeJP NA NA +PJ037936 APCHWW C39H46N10O7S 798.3272 NA PeJP NA NA +PJ037937 LEEMMF C35H54N6O11S2 798.3292 NA PeJP NA NA +PJ037938 AQEEHW C35H46N10O12 798.3297 NA PeJP NA NA +PJ037939 GCMFRW C36H50N10O7S2 798.3306 NA PeJP NA NA +PJ037940 SNEMRY C32H50N10O12S 798.3331 NA PeJP NA NA +PJ037941 GSTYWW C40H46N8O10 798.3337 NA PeJP NA NA +PJ037942 LMMMHH C33H54N10O7S3 798.3339 NA PeJP NA NA +PJ037943 TMHHHH C33H46N14O8S 798.3344 NA PeJP NA NA +MJ094762 ?-Lumicolchicine C44H50N2O12 798.336375 NA MeJP NA NA +PJ037944 SSSTMMR C29H54N10O12S2 798.3364 NA PeJP NA NA +PJ037945 GSNNDHR C29H46N14O13 798.3369 NA PeJP NA NA +PJ037946 GDKMYW C37H50N8O10S 798.3371 NA PeJP NA NA +PJ037947 CKMMMR C30H58N10O7S4 798.3373 NA PeJP NA NA +PJ037948 GSSKEEY C33H50N8O15 798.3396 NA PeJP NA NA +PJ037949 VQQMMY C34H54N8O10S2 798.3404 NA PeJP NA NA +PJ037950 LNQMMY C34H54N8O10S2 798.3405 NA PeJP NA NA +PJ037951 GDEHRW C34H46N12O11 798.3409 NA PeJP NA NA +PJ037952 GGGGGATHW C34H46N12O11 798.341 NA PeJP NA NA +PJ037953 SSSSSTLM C30H54N8O15S 798.343 NA PeJP NA NA +PJ037954 PVEEYY C38H50N6O13 798.3436 NA PeJP NA NA +PJ037955 GTTKMMM C31H58N8O10S3 798.3438 NA PeJP NA NA +PJ037956 SCDRRY C31H50N12O11S 798.3443 NA PeJP NA NA +PJ037957 SSPHWW C39H46N10O9 798.3449 NA PeJP NA NA +PJ037958 AAEHWW C39H46N10O9 798.345 NA PeJP NA NA +PJ037959 GSMRYW C36H50N10O9S 798.3483 NA PeJP NA NA +PJ037960 NFFWW C44H46N8O7 798.349 NA PeJP NA NA +PJ037961 GSSTERY C32H50N10O14 798.3508 NA PeJP NA NA +PJ037962 GGGGAASPPE C32H50N10O14 798.3509 NA PeJP NA NA +PJ037963 AQMMRY C33H54N10O9S2 798.3517 NA PeJP NA NA +PJ037964 GSPQHHH C33H46N14O10 798.3522 NA PeJP NA NA +PJ037965 AMHFFF C41H50N8O7S 798.3524 NA PeJP NA NA +PJ037966 SSKEYW C37H50N8O12 798.3548 NA PeJP NA NA +PJ037967 AAPPEEW C37H50N8O12 798.3549 NA PeJP NA NA +PJ037968 SCCCKKK C30H58N10O9S3 798.3551 NA PeJP NA NA +PJ037969 NNQMHR C30H50N14O10S 798.3555 NA PeJP NA NA +PJ037970 GGGGQMHR C30H50N14O10S 798.3556 NA PeJP NA NA +PJ037971 GKMMFW C38H54N8O7S2 798.3557 NA PeJP NA NA +PJ037972 DHRWW C38H46N12O8 798.3562 NA PeJP NA NA +PJ037973 TQKEMY C34H54N8O12S 798.3582 NA PeJP NA NA +PJ037974 KYYYY C42H50N6O10 798.3589 NA PeJP NA NA +PJ037975 PTCHRW C35H50N12O8S 798.3596 NA PeJP NA NA +PJ037976 SSTTTTTT C30H54N8O17 798.3607 NA PeJP NA NA +PJ037977 STTTKMM C31H58N8O12S2 798.3616 NA PeJP NA NA +PJ037978 TQEEHR C31H50N12O13 798.3621 NA PeJP NA NA +PJ037979 PLEMFY C39H54N6O10S 798.3622 NA PeJP NA NA +PJ037980 KKMMMM C32H62N8O7S4 798.3625 NA PeJP NA NA +PJ037981 ACMRRY C32H54N12O8S2 798.3629 NA PeJP NA NA +MetaCyc04148 Fe-Mo cofactor [FeMo-co;iron-molybdenum cofactor;] H21S9FE7MO1 798.362964 NA metacyc NA NA +PJ037982 LLEMMY C36H58N6O10S2 798.3656 NA PeJP NA NA +PJ037983 SSTRYW C36H50N10O11 798.3661 NA PeJP NA NA +PJ037984 CNNHRR C29H50N16O9S 798.3668 NA PeJP NA NA +MJ094763 3,6,8,12,14-Pentahydroxybufa-20,22-dienolide, 3-O-[6-Deoxy-3-O-methyl-?-L-glucopyranosyl-(1r4)-?-D-glucopyranoside], 6-Ac C39H58O17 798.3674 NA MeJP NA NA +PJ037985 SDKMRY C33H54N10O11S 798.3694 NA PeJP NA NA +PJ037986 GSSVMRY C33H54N10O11S 798.3695 NA PeJP NA NA +PJ037987 PPVDWW C41H50N8O9 798.3701 NA PeJP NA NA +PJ037988 SDEHRR C30H50N14O12 798.3733 NA PeJP NA NA +PJ037989 ATKMYW C38H54N8O9S 798.3735 NA PeJP NA NA +PJ037990 PCMHRR C31H54N14O7S2 798.3742 NA PeJP NA NA +PJ037991 GTTTKEY C34H54N8O14 798.376 NA PeJP NA NA +PJ037992 VQKMMY C35H58N8O9S2 798.3768 NA PeJP NA NA +PJ037993 GGLKMMY C35H58N8O9S2 798.3769 NA PeJP NA NA +PJ037994 ATEHRW C35H50N12O10 798.3773 NA PeJP NA NA +PJ037995 VLEEFY C39H54N6O12 798.38 NA PeJP NA NA +PJ037996 SSMRRY C32H54N12O10S 798.3807 NA PeJP NA NA +PJ037997 GTLHWW C40H50N10O8 798.3813 NA PeJP NA NA +PJ037998 GGPVHFW C40H50N10O8 798.3814 NA PeJP NA NA +PJ037999 PTKMHW C37H54N10O8S 798.3847 NA PeJP NA NA +PJ038000 SSSSLRY C33H54N10O13 798.3872 NA PeJP NA NA +PJ038001 AKMMRY C34H58N10O8S2 798.3881 NA PeJP NA NA +PJ038002 GSPKHHH C34H50N14O9 798.3886 NA PeJP NA NA +PJ038003 TTTKYW C38H54N8O11 798.3912 NA PeJP NA NA +PJ038004 AAAPPPEF C38H54N8O11 798.3913 NA PeJP NA NA +PJ038005 AEMHRR C31H54N14O9S 798.3919 NA PeJP NA NA +PJ038006 GPHFRW C39H50N12O7 798.3926 NA PeJP NA NA +PJ038007 TKKEMY C35H58N8O11S 798.3946 NA PeJP NA NA +PJ038008 PPLFYY C43H54N6O9 798.3953 NA PeJP NA NA +PJ038009 GLMHRW C36H54N12O7S 798.396 NA PeJP NA NA +PJ038010 GSTLEHR C32H54N12O12 798.3984 NA PeJP NA NA +PJ038011 TKEEHR C32H54N12O12 798.3985 NA PeJP NA NA +PJ038012 PLLMYY C40H58N6O9S 798.3986 NA PeJP NA NA +PJ038013 PKMMHR C33H58N12O7S2 798.3993 NA PeJP NA NA +PJ038014 VNHHHR C33H50N16O8 798.3998 NA PeJP NA NA +PJ038015 SLKEHW C37H54N10O10 798.4025 NA PeJP NA NA +MJ094764 3,16-Dihydroxy-23,24-dinorcholan-22-oic acid, 22?16 Lactone, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C40H62O16 798.403785 NA MeJP NA NA +PJ038016 TTKMRY C34H58N10O10S 798.4058 NA PeJP NA NA +PJ038017 PPVVCER C34H58N10O10S 798.4059 NA PeJP NA NA +PJ038018 PPTLWW C42H54N8O8 798.4065 NA PeJP NA NA +PJ038019 TTEHRR C31H54N14O11 798.4097 NA PeJP NA NA +PJ038020 GPPVLMW C39H58N8O8S 798.4099 NA PeJP NA NA +PJ038021 GHHHRR C32H50N18O7 798.411 NA PeJP NA NA +PJ038022 SSTTLKY C35H58N8O13 798.4123 NA PeJP NA NA +PJ038023 SPPLKEE C35H58N8O13 798.4124 NA PeJP NA NA +PJ038024 VKKMMY C36H62N8O8S2 798.4132 NA PeJP NA NA +PJ038025 STLHRW C36H54N12O9 798.4137 NA PeJP NA NA +PJ038026 VLLEYY C40H58N6O11 798.4164 NA PeJP NA NA +PJ038027 VKEMHR C33H58N12O9S 798.4171 NA PeJP NA NA +PJ038028 KFRYW C41H54N10O7 798.4177 NA PeJP NA NA +PJ038029 PPLMRW C38H58N10O7S 798.4211 NA PeJP NA NA +PJ038030 GPVLEER C34H58N10O12 798.4236 NA PeJP NA NA +PJ038031 GPQRRW C35H54N14O8 798.4249 NA PeJP NA NA +PJ038032 GGAPRRW C35H54N14O8 798.425 NA PeJP NA NA +PJ038033 AAPLLEW C39H58N8O10 798.4276 NA PeJP NA NA +PJ038034 SLMHRR C32H58N14O8S 798.4283 NA PeJP NA NA +MJ094765 Mocimycin; 5,6-Dihydro C43H62N2O12 798.430275 NA MeJP NA NA +PJ038035 PPVVKEM C36H62N8O10S 798.431 NA PeJP NA NA +PJ038036 PLLFFY C44H58N6O8 798.4316 NA PeJP NA NA +PJ038037 PLEERR C33H58N12O11 798.4348 NA PeJP NA NA +PJ038038 GGGPLDKR C33H58N12O11 798.4349 NA PeJP NA NA +PJ038039 LLLMFY C41H62N6O8S 798.435 NA PeJP NA NA +PJ038040 PPHHRR C34H54N16O7 798.4362 NA PeJP NA NA +PJ038041 PVLERW C38H58N10O9 798.4389 NA PeJP NA NA +MJ094766 13,28-Epoxy-11-oleanene-3,15,16,21,22-pentol, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C41H66O15 798.440171 NA MeJP NA NA +MJ094767 Polycavernoside B2 C41H66O15 798.440171 NA MeJP NA NA +PJ038042 SPPVLMR C35H62N10O9S 798.4422 NA PeJP NA NA +PJ038043 PVVLWW C43H58N8O7 798.4429 NA PeJP NA NA +PJ038044 PNKERR C32H58N14O10 798.4461 NA PeJP NA NA +PJ038045 VKKMFF C40H62N8O7S 798.4463 NA PeJP NA NA +PJ038046 SPLLLQE C36H62N8O12 798.4487 NA PeJP NA NA +PJ038047 APLLKEE C36H62N8O12 798.4488 NA PeJP NA NA +PJ038048 PVNKRW C37H58N12O8 798.4501 NA PeJP NA NA +PJ038049 APPCKKR C34H62N12O8S 798.4535 NA PeJP NA NA +MJ094768 2,3,16,20,25-Pentahydroxycucurbita-5,23-dien-22-one, 23,24-Dihydro, 2-O-(6-cinnamoyl-?-D-glucopyranoside) C45H66O12 798.455427 NA MeJP NA NA +PJ038050 SPQRRR C31H58N16O9 798.4573 NA PeJP NA NA +PJ038051 APTLLER C35H62N10O11 798.46 NA PeJP NA NA +PJ038052 GPKRRW C36H58N14O7 798.4613 NA PeJP NA NA +PJ038053 GPTLLLW C40H62N8O9 798.464 NA PeJP NA NA +PJ038054 CKKKHR C33H62N14O7S 798.4647 NA PeJP NA NA +PJ038055 PPTLLKM C37H66N8O9S 798.4674 NA PeJP NA NA +PJ038056 LLLFFF C45H62N6O7 798.468 NA PeJP NA NA +PJ038057 AAPKKER C34H62N12O10 798.4712 NA PeJP NA NA +PJ038058 PLQKKW C39H62N10O8 798.4752 NA PeJP NA NA +PJ038059 GAPLKKW C39H62N10O8 798.4753 NA PeJP NA NA +MJ094769 12-Oleanene-3,11,16,23,28-pentol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside] C42H70O14 798.476556 NA MeJP NA NA +MJ094770 12-Oleanene-3,16,23,28-tetrol, 3,28-Di-O-?-D-glucopyranoside C42H70O14 798.476556 NA MeJP NA NA +MJ094771 18-Oleanene-3,11,16,23,28-pentol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside] C42H70O14 798.476556 NA MeJP NA NA +MJ094772 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C42H70O14 798.476556 NA MeJP NA NA +MJ094773 22,25-Epoxycycloartane-3,16,28-triol, 3-O-?-D-Galactopyranoside, 28-O-?-D-glucopyranoside C42H70O14 798.476556 NA MeJP NA NA +MJ094774 3,11,16-Trihydroxycycloartan-24-one, 3-O-[?-D-Glucopyranosyl(1?2)-?-D-glucopyranoside] C42H70O14 798.476556 NA MeJP NA NA +MJ094775 3,11,25-Trihydroxycucurbit-5-en-24-one, 3,25-Di-O-?-D-glucopyranoside C42H70O14 798.476556 NA MeJP NA NA +MJ094776 3,22,25-Trihydroxylanost-9(11)-en-24-one, 3-O-Gentiobioside C42H70O14 798.476556 NA MeJP NA NA +MJ094777 3,24,25-Trihydroxycucurbit-5-en-11-one, 3,25-Di-O-D-glucopyranoside C42H70O14 798.476556 NA MeJP NA NA +MJ094778 Cycloart-24-ene-3,16,22,28-tetrol, 3-O-?-D-Galactopyranoside, 28-O-?-D-glucopyranoside C42H70O14 798.476556 NA MeJP NA NA +MJ094779 Mabioside D C42H70O14 798.476556 NA MeJP NA NA +C08985 Thalicoside A C42H70O14 798.4766 NA KEGG NA NA +PJ038060 GPLLLMR C36H66N10O8S 798.4786 NA PeJP NA NA +PJ038061 PDKKRR C33H62N14O9 798.4825 NA PeJP NA NA +PJ038062 SPLLLKE C37H66N8O11 798.4851 NA PeJP NA NA +PJ038063 GAALLLLE C37H66N8O11 798.4852 NA PeJP NA NA +PJ038064 VLKHFR C38H62N12O7 798.4865 NA PeJP NA NA +PJ038065 KKKKMH C35H66N12O7S 798.4898 NA PeJP NA NA +MJ094780 Bacchomagellins; Bacchomagellin A C46H70O11 798.491813 NA MeJP NA NA +PJ038066 SPKRRR C32H62N16O8 798.4937 NA PeJP NA NA +PJ038067 GVLLLER C36H66N10O10 798.4964 NA PeJP NA NA +PJ038068 AALLLLW C41H66N8O8 798.5004 NA PeJP NA NA +PJ038069 PVVLLKM C38H70N8O8S 798.5038 NA PeJP NA NA +PJ038070 GVRRRR C31H62N18O7 798.5049 NA PeJP NA NA +MJ094781 Reglin C50H70O8 798.507069 NA MeJP NA NA +PJ038071 LLLERR C35H66N12O9 798.5076 NA PeJP NA NA +MJ094782 Dolastatin 10; Homologue, R = CH3 C43H70N6O6S 798.507754 NA MeJP NA NA +PJ038072 VLLLRW C40H66N10O7 798.5116 NA PeJP NA NA +MJ094783 Lonomycin A; 23-Demethoxy C43H74O13 798.512942 NA MeJP NA NA +PJ038073 RRRRR C30H62N20O6 798.5162 NA PeJP NA NA +PJ038074 VLQKRR C34H66N14O8 798.5188 NA PeJP NA NA +PJ038075 ALLLLKE C38H70N8O10 798.5215 NA PeJP NA NA +PJ038076 ALKRRR C33H66N16O7 798.5301 NA PeJP NA NA +PJ038077 ATLLLLR C37H70N10O9 798.5328 NA PeJP NA NA +HMDB10581 PG(16:0/22:4(7Z,10Z,13Z,16Z)) C44H79O10P 798.541077 NA HMDB2010 NA NA +HMDB10610 PG(18:0/20:4(5Z,8Z,11Z,14Z)) C44H79O10P 798.541077 NA HMDB2010 NA NA +HMDB10623 PG(18:1(11Z)/20:3(5Z,8Z,11Z)) C44H79O10P 798.541077 NA HMDB2010 NA NA +HMDB10624 PG(18:1(11Z)/20:3(8Z,11Z,14Z)) C44H79O10P 798.541077 NA HMDB2010 NA NA +HMDB10638 PG(18:1(9Z)/20:3(5Z,8Z,11Z)) C44H79O10P 798.541077 NA HMDB2010 NA NA +HMDB10639 PG(18:1(9Z)/20:3(8Z,11Z,14Z)) C44H79O10P 798.541077 NA HMDB2010 NA NA +PJ038078 AALLKKR C36H70N12O8 798.544 NA PeJP NA NA +PJ038079 VLKKRR C35H70N14O7 798.5552 NA PeJP NA NA +PJ038080 SLLLLLK C39H74N8O9 798.5579 NA PeJP NA NA +PJ038081 GLLLKKK C38H74N10O8 798.5691 NA PeJP NA NA +MJ094784 Crambidine C45H79N6O6(+) 798.598284 NA MeJP NA NA +HMDB13467 SM(d18:0/22:2(13Z,16Z)(OH)) C45H87N2O7P 798.625061 NA HMDB2010 NA NA +MJ094785 Manzamenone A; Butyl ester C50H86O7 798.637355 NA MeJP NA NA +C08212 Levothyroxine sodium anhydrous C15H10I4NO4 798.6686 NA KEGG NA NA +C08213 Transferred to D01010 C15H10I4NO4 798.6686 NA KEGG NA NA +C08214 Transferred to D01011 C15H10I4NO4 798.6686 NA KEGG NA NA +C08215 Thyroid C15H10I4NO4 798.6686 NA KEGG NA NA +C08216 Transferred to D01013 C15H10I4NO4 798.6686 NA KEGG NA NA +MJ094786 9,9'-Oxybis[7,26-heptacosadien-10-ol] C54H102O3 798.782897 NA MeJP NA NA +PJ038082 CCCCCCY C27H41N7O9S6 799.129 NA PeJP NA NA +FL7AAGGL0020 Delphinidin 3-(6''-malonylglucoside)-5-malonylglucoside C33H35O23 799.15691 104078-09-3 knapsack NA NA +PJ038083 CCCCCEH C26H41N9O10S5 799.158 NA PeJP NA NA +PJ038084 CCDDDDD C26H37N7O18S2 799.1637 NA PeJP NA NA +PJ038085 CCCNNDE C26H41N9O14S3 799.1935 NA PeJP NA NA +PJ038086 GGCCCNDE C26H41N9O14S3 799.1936 NA PeJP NA NA +PJ038087 TCCCCMH C27H45N9O9S5 799.1944 NA PeJP NA NA +MJ094787 Pradimicin T1; 3A-O-Dexylosyl C37H37NO19 799.195978 NA MeJP NA NA +PJ038088 SCDDDDM C27H41N7O17S2 799.2001 NA PeJP NA NA +PJ038089 PCCCDEM C28H45N7O12S4 799.2009 NA PeJP NA NA +PJ038090 GCCCNDW C30H41N9O11S3 799.2088 NA PeJP NA NA +PJ038091 GSSCCNDD C26H41N9O16S2 799.2113 NA PeJP NA NA +PJ038092 GSPCCCCQ C27H45N9O11S4 799.2122 NA PeJP NA NA +PJ038093 GCDDEMM C28H45N7O14S3 799.2187 NA PeJP NA NA +PJ038094 GCCCMHF C31H45N9O8S4 799.2274 NA PeJP NA NA +PJ038095 SCCNNEM C27H45N9O13S3 799.2299 NA PeJP NA NA +PJ038096 GCDDDEF C31H41N7O16S 799.2331 NA PeJP NA NA +PJ038097 CCEEMW C32H45N7O11S3 799.2339 NA PeJP NA NA +PJ038098 CDDMMW C32H45N7O11S3 799.234 NA PeJP NA NA +PJ038099 SSDDDMM C28H45N7O16S2 799.2364 NA PeJP NA NA +PJ038100 TTCDDDM C28H45N7O16S2 799.2365 NA PeJP NA NA +PJ038101 SPCCEMM C29H49N7O11S4 799.2373 NA PeJP NA NA +PJ038102 GCCDEHH C29H41N11O12S2 799.2378 NA PeJP NA NA +PJ038103 SCCCNDR C26H45N11O12S3 799.2412 NA PeJP NA NA +PJ038104 GCNNDDY C30H41N9O15S 799.2443 NA PeJP NA NA +PJ038105 GSCCNMW C31H45N9O10S3 799.2452 NA PeJP NA NA +PJ038106 GSSSCNDM C27H45N9O15S2 799.2477 NA PeJP NA NA +PJ038107 CDDDFW C35H41N7O13S 799.2483 NA PeJP NA NA +PJ038108 ACCNQMM C28H49N9O10S4 799.2485 NA PeJP NA NA +PJ038109 GCNNMMM C28H49N9O10S4 799.2486 NA PeJP NA NA +PJ038110 GSDDDEY C31H41N7O18 799.2508 NA PeJP NA NA +PJ038111 GPCDDMY C32H45N7O13S2 799.2517 NA PeJP NA NA +PJ038112 PPCCCMF C33H49N7O8S4 799.2526 NA PeJP NA NA +PJ038113 CCDHHW C33H41N11O9S2 799.2531 NA PeJP NA NA +PJ038114 GSDEMMM C29H49N7O13S3 799.2551 NA PeJP NA NA +PJ038115 SSCDDHH C29H41N11O14S 799.2555 NA PeJP NA NA +PJ038116 GPCMMMM C30H53N7O8S5 799.256 NA PeJP NA NA +PJ038117 PTCCCHH C30H45N11O9S3 799.2564 NA PeJP NA NA +PJ038118 GCCCQMR C27H49N11O9S4 799.2598 NA PeJP NA NA +PJ038119 SPDDDDH C30H41N9O17 799.2621 NA PeJP NA NA +PJ038120 SSSCCQW C31H45N9O12S2 799.2629 NA PeJP NA NA +PJ038121 GGGGSPCCY C31H45N9O12S2 799.263 NA PeJP NA NA +PJ038122 SSSSSCNE C27H45N9O17S 799.2654 NA PeJP NA NA +PJ038123 SDDDYW C35H41N7O15 799.2661 NA PeJP NA NA +PJ038124 SSCNQMM C28H49N9O12S3 799.2663 NA PeJP NA NA +PJ038125 PCCEYW C36H45N7O10S2 799.267 NA PeJP NA NA +PJ038126 NDEEMY C32H45N7O15S 799.2695 NA PeJP NA NA +PJ038127 SDMMMW C33H49N7O10S3 799.2703 NA PeJP NA NA +PJ038128 GCCCCRR C26H49N13O8S4 799.271 NA PeJP NA NA +PJ038129 SSSEEMM C29H49N7O15S2 799.2728 NA PeJP NA NA +PJ038130 GNNDDEH C29H41N11O16 799.2733 NA PeJP NA NA +PJ038131 QEMMMM C30H53N7O10S4 799.2737 NA PeJP NA NA +PJ038132 GSCEMHH C30H45N11O11S2 799.2742 NA PeJP NA NA +PJ038133 SSCCNMR C27H49N11O11S3 799.2775 NA PeJP NA NA +PJ038134 GGSSCCMR C27H49N11O11S3 799.2776 NA PeJP NA NA +PJ038135 CCNQFW C35H45N9O9S2 799.2782 NA PeJP NA NA +PJ038136 GSSSSSCW C31H45N9O14S 799.2807 NA PeJP NA NA +PJ038137 GTCCCKW C32H49N9O9S3 799.2816 NA PeJP NA NA +PJ038138 GSSSSSSSD C27H45N9O19 799.2832 NA PeJP NA NA +PJ038139 GSSSSNMM C28H49N9O14S2 799.2841 NA PeJP NA NA +PJ038140 GDEMYW C36H45N7O12S 799.2847 NA PeJP NA NA +PJ038141 CEMMMR C29H53N9O9S4 799.2849 NA PeJP NA NA +PJ038142 GGACCKMM C29H53N9O9S4 799.285 NA PeJP NA NA +MJ094788 Haligramide A; 36-S-Oxide C37H49N7O7S3 799.285559 NA MeJP NA NA +PJ038143 GSSEEEY C32H45N7O17 799.2872 NA PeJP NA NA +PJ038144 GSPDMMY C33H49N7O12S2 799.2881 NA PeJP NA NA +PJ038145 NNDDHW C33H41N11O13 799.2886 NA PeJP NA NA +PJ038146 AMMMMW C34H53N7O7S4 799.289 NA PeJP NA NA +PJ038147 SCMHHW C34H45N11O8S2 799.2894 NA PeJP NA NA +PJ038148 GTTEMMM C30H53N7O12S3 799.2915 NA PeJP NA NA +PJ038149 SSSDMHH C30H45N11O13S 799.2919 NA PeJP NA NA +PJ038150 GGGGSPCEH C30H45N11O13S 799.292 NA PeJP NA NA +PJ038151 NMMMHH C31H49N11O8S3 799.2928 NA PeJP NA NA +PJ038152 GSSSTCCR C27H49N11O13S2 799.2953 NA PeJP NA NA +PJ038153 SCNQYW C35H45N9O11S 799.2959 NA PeJP NA NA +PJ038154 GGGGTCYW C35H45N9O11S 799.296 NA PeJP NA NA +PJ038155 GCCCKMR C28H53N11O8S4 799.2962 NA PeJP NA NA +PJ038156 SSSNNEY C31H45N9O16 799.2984 NA PeJP NA NA +PJ038157 GGSSSNEY C31H45N9O16 799.2985 NA PeJP NA NA +PJ038158 SSSCCKW C32H49N9O11S2 799.2993 NA PeJP NA NA +PJ038159 DMYWW C40H45N7O9S 799.3 NA PeJP NA NA +PJ038160 SSSSSSQM C28H49N9O16S 799.3018 NA PeJP NA NA +PJ038161 SSEEYW C36H45N7O14 799.3025 NA PeJP NA NA +PJ038162 SSCNKMM C29H53N9O11S3 799.3027 NA PeJP NA NA +PJ038163 GNNNNMH C29H45N13O12S 799.3032 NA PeJP NA NA +PJ038164 PTCMYW C37H49N7O9S2 799.3033 NA PeJP NA NA +PJ038165 GEMMFW C37H49N7O9S2 799.3034 NA PeJP NA NA +PJ038166 TQEEMY C33H49N7O14S 799.3058 NA PeJP NA NA +PJ038167 GATEEMY C33H49N7O14S 799.3059 NA PeJP NA NA +PJ038168 EYYYY C41H45N5O12 799.3065 NA PeJP NA NA +PJ038169 TTMMMW C34H53N7O9S3 799.3067 NA PeJP NA NA +PJ038170 GSPCNHW C34H45N11O10S 799.3072 NA PeJP NA NA +PJ038171 STTTEMM C30H53N7O14S2 799.3092 NA PeJP NA NA +PJ038172 DDEEHR C30H45N11O15 799.3097 NA PeJP NA NA +PJ038173 KEMMMM C31H57N7O9S4 799.3101 NA PeJP NA NA +PJ038174 CNNMRY C31H49N11O10S2 799.3106 NA PeJP NA NA +PJ038175 SSSSSSCR C27H49N11O15S 799.3131 NA PeJP NA NA +PJ038176 GSSSNYW C35H45N9O13 799.3137 NA PeJP NA NA +PJ038177 STCCCKR C28H53N11O10S3 799.3139 NA PeJP NA NA +PJ038178 CCNKFW C36H49N9O8S2 799.3146 NA PeJP NA NA +PJ038179 SDEMRY C32H49N9O13S 799.3171 NA PeJP NA NA +PJ038180 GPDYYW C40H45N7O11 799.3177 NA PeJP NA NA +PJ038181 PCMMRY C33H53N9O8S3 799.318 NA PeJP NA NA +PJ038182 MMFWW C41H49N7O6S2 799.3186 NA PeJP NA NA +PJ038183 GSSSSSSTT C28H49N9O18 799.3196 NA PeJP NA NA +PJ038184 GSTTTCCK C29H53N9O13S2 799.3204 NA PeJP NA NA +PJ038185 GSSSTCKM C29H53N9O13S2 799.3205 NA PeJP NA NA +PJ038186 GSNDDHR C29H45N13O14 799.3209 NA PeJP NA NA +PJ038187 GGGGGGGGSTH C29H45N13O14 799.321 NA PeJP NA NA +PJ038188 ATEMYW C37H49N7O11S 799.3211 NA PeJP NA NA +PJ038189 TMMMMR C30H57N9O8S4 799.3213 NA PeJP NA NA +PJ038190 GPCCQHR C30H49N13O9S2 799.3218 NA PeJP NA NA +PJ038191 ACHHFW C38H45N11O7S 799.3224 NA PeJP NA NA +PJ038192 GTTTEEY C33H49N7O16 799.3236 NA PeJP NA NA +PJ038193 VQEMMY C34H53N7O11S2 799.3245 NA PeJP NA NA +PJ038194 SNQEHW C34H45N11O12 799.3249 NA PeJP NA NA +PJ038195 GGGGTEHW C34H45N11O12 799.325 NA PeJP NA NA +PJ038196 SSTLMMM C31H57N7O11S3 799.3278 NA PeJP NA NA +PJ038197 GSSCQRY C31H49N11O12S 799.3283 NA PeJP NA NA +PJ038198 GGGGGGGGPPM C31H49N11O12S 799.3284 NA PeJP NA NA +PJ038199 GNNFYW C39H45N9O10 799.329 NA PeJP NA NA +PJ038200 SCNKYW C36H49N9O10S 799.3323 NA PeJP NA NA +PJ038201 GGSPPPCW C36H49N9O10S 799.3324 NA PeJP NA NA +PJ038202 DFFWW C44H45N7O8 799.333 NA PeJP NA NA +PJ038203 SSSNDKY C32H49N9O15 799.3348 NA PeJP NA NA +PJ038204 KEEEEH C32H49N9O15 799.3349 NA PeJP NA NA +PJ038205 AEMMRY C33H53N9O10S2 799.3357 NA PeJP NA NA +PJ038206 GSPEHHH C33H45N13O11 799.3362 NA PeJP NA NA +PJ038207 GPMFYW C41H49N7O8S 799.3364 NA PeJP NA NA +PJ038208 SSSSSSKM C29H53N9O15S 799.3382 NA PeJP NA NA +PJ038209 SSSPPYY C37H49N7O13 799.3388 NA PeJP NA NA +PJ038210 TTTEYW C37H49N7O13 799.3389 NA PeJP NA NA +PJ038211 STCCKKM C30H57N9O10S3 799.3391 NA PeJP NA NA +PJ038212 NNEMHR C30H49N13O11S 799.3395 NA PeJP NA NA +PJ038213 GGNEMHR C30H49N13O11S 799.3396 NA PeJP NA NA +PJ038214 GLMMYW C38H53N7O8S2 799.3397 NA PeJP NA NA +PJ038215 GSQHWW C38H45N11O9 799.3402 NA PeJP NA NA +MJ094789 Auramycin F C41H53NO15 799.34152 NA MeJP NA NA +PJ038216 TKEEMY C34H53N7O13S 799.3422 NA PeJP NA NA +PJ038217 PKMMMY C35H57N7O8S3 799.3431 NA PeJP NA NA +PJ038218 AQQMHW C35H49N11O9S 799.3436 NA PeJP NA NA +PJ038219 SSSSNRY C31H49N11O14 799.3461 NA PeJP NA NA +PJ038220 CCQKRY C32H53N11O9S2 799.3469 NA PeJP NA NA +PJ038221 GACCKRY C32H53N11O9S2 799.347 NA PeJP NA NA +PJ038222 NQQHHH C32H45N15O10 799.3474 NA PeJP NA NA +PJ038223 SLEEHW C36H49N9O12 799.3501 NA PeJP NA NA +PJ038224 CNDHRR C29H49N15O10S 799.3508 NA PeJP NA NA +PJ038225 PVMMHW C37H53N9O7S2 799.351 NA PeJP NA NA +PJ038226 SPHHHW C37H45N13O8 799.3514 NA PeJP NA NA +PJ038227 TTEMRY C33H53N9O12S 799.3535 NA PeJP NA NA +PJ038228 APTYYW C41H49N7O10 799.3541 NA PeJP NA NA +PJ038229 CLMMFR C34H57N9O7S3 799.3543 NA PeJP NA NA +PJ038230 GNMHRW C34H49N13O8S 799.3548 NA PeJP NA NA +PJ038231 GSSQEHR C30H49N13O13 799.3573 NA PeJP NA NA +PJ038232 STLMYW C38H53N7O10S 799.3575 NA PeJP NA NA +PJ038233 GPCCKHR C31H53N13O8S2 799.3582 NA PeJP NA NA +PJ038234 SSTTLEY C34H53N7O15 799.36 NA PeJP NA NA +PJ038235 VKEMMY C35H57N7O10S2 799.3609 NA PeJP NA NA +PJ038236 SNKEHW C35H49N11O11 799.3613 NA PeJP NA NA +PJ038237 GGGGAAPQW C35H49N11O11 799.3614 NA PeJP NA NA +PJ038238 GSSCKRY C32H53N11O11S 799.3647 NA PeJP NA NA +PJ038239 SPPQWW C40H49N9O9 799.3653 NA PeJP NA NA +MJ094790 Stellarin F C40H49N9O9 799.365324 NA MeJP NA NA +PJ038240 PPTNWW C40H49N9O9 799.3654 NA PeJP NA NA +PJ038241 VVEMHW C37H53N9O9S 799.3687 NA PeJP NA NA +PJ038242 VFYWW C45H49N7O7 799.3694 NA PeJP NA NA +PJ038243 SSSTQKY C33H53N9O14 799.3712 NA PeJP NA NA +PJ038244 GGGGPVLDE C33H53N9O14 799.3713 NA PeJP NA NA +PJ038245 SLMMRY C34H57N9O9S2 799.3721 NA PeJP NA NA +PJ038246 SSQHRW C34H49N13O10 799.3726 NA PeJP NA NA +PJ038247 GLMFFW C42H53N7O7S 799.3728 NA PeJP NA NA +PJ038248 PTKEYY C38H53N7O12 799.3752 NA PeJP NA NA +PJ038249 GGVLEYY C38H53N7O12 799.3753 NA PeJP NA NA +PJ038250 NDKMHR C31H53N13O10S 799.3759 NA PeJP NA NA +PJ038251 GPPCDRR C31H53N13O10S 799.376 NA PeJP NA NA +PJ038252 PKMMFF C39H57N7O7S2 799.3761 NA PeJP NA NA +PJ038253 GSKHWW C39H49N11O8 799.3766 NA PeJP NA NA +3731 NA YPFGFLG 799.377 ACE inhibitor Inhouse_peptide NA peptide +3733 NA YPFGFIG 799.377 ACE inhibitor Inhouse_peptide NA peptide +PJ038254 SSSLLMY C35H57N7O12S 799.3786 NA PeJP NA NA +PJ038255 LKMMMF C36H61N7O7S3 799.3795 NA PeJP NA NA +PJ038256 PPNMRW C36H53N11O8S 799.38 NA PeJP NA NA +PJ038257 SSTLQQH C32H53N11O13 799.3824 NA PeJP NA NA +PJ038258 AAPQEER C32H53N11O13 799.3825 NA PeJP NA NA +PJ038259 CCKKRY C33H57N11O8S2 799.3833 NA PeJP NA NA +PJ038260 VDHHHR C33H49N15O9 799.3838 NA PeJP NA NA +PJ038261 GSPPKEW C37H53N9O11 799.3865 NA PeJP NA NA +PJ038262 SNMHRR C30H53N15O9S 799.3872 NA PeJP NA NA +PJ038263 ALHHHW C38H49N13O7 799.3878 NA PeJP NA NA +PJ038264 GTTCKKY C34H57N9O11S 799.3898 NA PeJP NA NA +PJ038265 GSSKKMY C34H57N9O11S 799.3899 NA PeJP NA NA +PJ038266 GVLYYW C42H53N7O9 799.3905 NA PeJP NA NA +PJ038267 ACKHRW C35H53N13O7S 799.3912 NA PeJP NA NA +PJ038268 PNEERR C31H53N13O12 799.3937 NA PeJP NA NA +PJ038269 PVKMYY C39H57N7O9S 799.3939 NA PeJP NA NA +PJ038270 TTTTTLY C35H57N7O14 799.3964 NA PeJP NA NA +PJ038271 PVNERW C36H53N11O10 799.3977 NA PeJP NA NA +MJ094791 Deltamycin A1 C39H61NO16 799.399034 NA MeJP NA NA +MJ094792 Fumonisin A1; 2-De(acetylamino), 2-(3-hydroxy-1-pyridinyl) C39H62NO16(+) 799.399034 NA MeJP NA NA +PJ038272 GPPDKMR C33H57N11O10S 799.4011 NA PeJP NA NA +PJ038273 SPPKWW C41H53N9O8 799.4017 NA PeJP NA NA +PJ038274 GAAPLWW C41H53N9O8 799.4018 NA PeJP NA NA +PJ038275 GSSTHRR C30H53N15O11 799.4049 NA PeJP NA NA +PJ038276 GGGGGSPRR C30H53N15O11 799.405 NA PeJP NA NA +PJ038277 TLLMHW C38H57N9O8S 799.4051 NA PeJP NA NA +PJ038278 SSSTKKY C34H57N9O13 799.4076 NA PeJP NA NA +PJ038279 CKKKMY C35H61N9O8S2 799.4085 NA PeJP NA NA +PJ038280 GPERRW C35H53N13O9 799.409 NA PeJP NA NA +PJ038281 VVKEYY C39H57N7O11 799.4116 NA PeJP NA NA +PJ038282 GSPPMRR C32H57N13O9S 799.4123 NA PeJP NA NA +PJ038283 GPVRWW C40H53N11O7 799.413 NA PeJP NA NA +MJ094793 Germine; O3-(3,4-Dimethoxybenzoyl), O15-(2-methylbutanoyl), O7-Ac C43H61NO13 799.414291 NA MeJP NA NA +PJ038284 PPTLLEM C36H61N7O11S 799.415 NA PeJP NA NA +PJ038285 AKKMHW C37H57N11O7S 799.4164 NA PeJP NA NA +PJ038286 SSPPKER C33H57N11O12 799.4188 NA PeJP NA NA +PJ038287 AAPKEER C33H57N11O12 799.4189 NA PeJP NA NA +PJ038288 LLMMHR C34H61N11O7S2 799.4197 NA PeJP NA NA +PJ038289 GQHFRR C34H53N15O8 799.4202 NA PeJP NA NA +PJ038290 PLQKEW C38H57N9O10 799.4229 NA PeJP NA NA +PJ038291 TCKHRR C31H57N15O8S 799.4236 NA PeJP NA NA +PJ038292 PRRWW C39H53N13O6 799.4242 NA PeJP NA NA +PJ038293 SSLLLMH C35H61N9O10S 799.4262 NA PeJP NA NA +PJ038294 GGPPTLKM C35H61N9O10S 799.4263 NA PeJP NA NA +PJ038295 PVKFFY C43H57N7O8 799.4269 NA PeJP NA NA +PJ038296 PDKERR C32H57N13O11 799.4301 NA PeJP NA NA +PJ038297 VLKMFY C40H61N7O8S 799.4303 NA PeJP NA NA +PJ038298 SPLLLEE C36H61N7O13 799.4328 NA PeJP NA NA +PJ038299 PPVLLMM C37H65N7O8S2 799.4336 NA PeJP NA NA +PJ038300 PVDKRW C37H57N11O9 799.4341 NA PeJP NA NA +C14059 Leucomycin A6 C40H65NO15 799.4354 NA KEGG NA NA +MJ094794 Leucomycin A6 C40H65NO15 799.43542 NA MeJP NA NA +MJ094795 Platenomycin C2 C40H65NO15 799.43542 NA MeJP NA NA +PJ038301 APPTKMR C34H61N11O9S 799.4375 NA PeJP NA NA +PJ038302 APLKWW C42H57N9O7 799.4381 NA PeJP NA NA +PJ038303 SPERRR C31H57N15O10 799.4413 NA PeJP NA NA +PJ038304 CKKKFF C39H61N9O7S 799.4415 NA PeJP NA NA +PJ038305 GPLKKEE C35H61N9O12 799.444 NA PeJP NA NA +PJ038306 SPVRRW C36H57N13O8 799.4453 NA PeJP NA NA +PJ038307 GAPPFRR C36H57N13O8 799.4454 NA PeJP NA NA +PJ038308 TLLKYY C40H61N7O10 799.448 NA PeJP NA NA +PJ038309 PLQMRR C33H61N13O8S 799.4487 NA PeJP NA NA +MJ094796 Hygrolidin K2; 19-Me ether C44H65NO12 799.450676 NA MeJP NA NA +PJ038310 PVVLLEM C37H65N7O10S 799.4514 NA PeJP NA NA +PJ038311 GQQRRR C30H57N17O9 799.4526 NA PeJP NA NA +PJ038312 GPTLKER C34H61N11O11 799.4552 NA PeJP NA NA +PJ038313 GGGVLLER C34H61N11O11 799.4553 NA PeJP NA NA +PJ038314 GKHFRR C35H57N15O7 799.4566 NA PeJP NA NA +PJ038315 AKKKYY C39H61N9O9 799.4592 NA PeJP NA NA +PJ038316 PLKKEW C39H61N9O9 799.4593 NA PeJP NA NA +PJ038317 PCLRRR C32H61N15O7S 799.46 NA PeJP NA NA +PJ038318 SPPLKKM C36H65N9O9S 799.4626 NA PeJP NA NA +PJ038319 VLKFFF C44H61N7O7 799.4633 NA PeJP NA NA +PJ038320 VLQERR C33H61N13O10 799.4665 NA PeJP NA NA +PJ038321 ALLLLEE C37H65N7O12 799.4692 NA PeJP NA NA +PJ038322 PTLKRW C38H61N11O8 799.4705 NA PeJP NA NA +C14063 Leucomycin A13 C41H69NO14 799.4718 NA KEGG NA NA +C14064 Kitasamycin C35H57NO13 799.4718 NA KEGG NA NA +C14065 Transferred to D02270 C35H57NO13 799.4718 NA KEGG NA NA +C14066 Transferred to D02271 C35H57NO13 799.4718 NA KEGG NA NA +C14067 Transferred to D02272 C35H57NO13 799.4718 NA KEGG NA NA +C14068 Transferred to D02273 C35H57NO13 799.4718 NA KEGG NA NA +C14069 Transferred to D02274 C35H57NO13 799.4718 NA KEGG NA NA +C14070 Transferred to D02275 C35H57NO13 799.4718 NA KEGG NA NA +C14071 Transferred to D02276 C35H57NO13 799.4718 NA KEGG NA NA +C14073 Transferred to D02277 C35H57NO13 799.4718 NA KEGG NA NA +C14074 Transferred to D02278 C35H57NO13 799.4718 NA KEGG NA NA +C14075 Transferred to D02279 C35H57NO13 799.4718 NA KEGG NA NA +C14076 Transferred to D02280 C35H57NO13 799.4718 NA KEGG NA NA +MJ094797 Leucomycin A13 C41H69NO14 799.471805 NA MeJP NA NA +MJ094798 Leucomycin A15 C41H69NO14 799.471805 NA MeJP NA NA +MJ094799 Oleandomycin; 4',11-Dipropanoyl C41H69NO14 799.471805 NA MeJP NA NA +PJ038323 GPVLKMR C35H65N11O8S 799.4739 NA PeJP NA NA +PJ038324 ALERRR C32H61N15O9 799.4777 NA PeJP NA NA +PJ038325 SPVLKKE C36H65N9O11 799.4804 NA PeJP NA NA +PJ038326 GLLRRW C37H61N13O7 799.4817 NA PeJP NA NA +PJ038327 PPVVLLY C41H65N7O9 799.4844 NA PeJP NA NA +PJ038328 PLKMRR C34H65N13O7S 799.4851 NA PeJP NA NA +PJ038329 PTLLLLM C38H69N7O9S 799.4878 NA PeJP NA NA +PJ038330 GQKRRR C31H61N17O8 799.4889 NA PeJP NA NA +PJ038331 GGAKRRR C31H61N17O8 799.489 NA PeJP NA NA +PJ038332 AALLKER C35H65N11O10 799.4916 NA PeJP NA NA +PJ038333 LLLQKW C40H65N9O8 799.4956 NA PeJP NA NA +PJ038334 GALLLKW C40H65N9O8 799.4957 NA PeJP NA NA +PJ038335 APLLKKM C37H69N9O8S 799.499 NA PeJP NA NA +PJ038336 VLKERR C34H65N13O9 799.5029 NA PeJP NA NA +PJ038337 SLLLLLE C38H69N7O11 799.5055 NA PeJP NA NA +PJ038338 VVLKRW C39H65N11O7 799.5069 NA PeJP NA NA +PJ038339 SLLRRR C33H65N15O8 799.5141 NA PeJP NA NA +HMDB08248 PC(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C46H74NO8P 799.515198 NA HMDB2010 NA NA +HMDB08503 PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) C46H74NO8P 799.515198 NA HMDB2010 NA NA +PJ038340 GLLLKKE C37H69N9O10 799.5168 NA PeJP NA NA +PJ038341 PVVLLLF C42H69N7O8 799.5208 NA PeJP NA NA +PJ038342 VVLLLLM C39H73N7O8S 799.5242 NA PeJP NA NA +PJ038343 GKKRRR C32H65N17O7 799.5253 NA PeJP NA NA +PJ038344 GTLLLKR C36H69N11O9 799.528 NA PeJP NA NA +PJ038345 LLLKKW C41H69N9O7 799.532 NA PeJP NA NA +EUR957 PC 34:4 [M+FA-H]- C42H76NO8P 799.535737 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR957 PC 34:4 [M+FA-H]- C42H76NO8P 799.535737 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR957 PC 34:4 [M+FA-H]- C42H76NO8P 799.535737 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR957 PC 34:4 [M+FA-H]- C42H76NO8P 799.535737 masses lipides attendues Inhousejuil11 NA NA +PJ038346 LQKKKR C35H69N13O8 799.5392 NA PeJP NA NA +PJ038347 SVLLLKK C38H73N9O9 799.5532 NA PeJP NA NA +PJ038348 GVLKKKK C37H73N11O8 799.5644 NA PeJP NA NA +PJ038349 LKKKKR C36H73N13O7 799.5756 NA PeJP NA NA +EUR986 PC 38:2 [M-H-CH3]- C46H88NO8P 799.609107 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR986 PC 38:2 [M-H-CH3]- C46H88NO8P 799.609107 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR986 PC 38:2 [M-H-CH3]- C46H88NO8P 799.609107 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR986 PC 38:2 [M-H-CH3]- C46H88NO8P 799.609107 masses lipides attendues Inhousejuil11 NA NA +HMDB07954 PC(15:0/22:2(13Z,16Z)) C45H86NO8P 799.609131 NA HMDB2010 NA NA +HMDB08592 PC(22:2(13Z,16Z)/15:0) C45H86NO8P 799.609131 NA HMDB2010 NA NA +HMDB08981 PE(16:1(9Z)/24:1(15Z)) C45H86NO8P 799.609131 NA HMDB2010 NA NA +HMDB09008 PE(18:0/22:2(13Z,16Z)) C45H86NO8P 799.609131 NA HMDB2010 NA NA +HMDB09040 PE(18:1(11Z)/22:1(13Z)) C45H86NO8P 799.609131 NA HMDB2010 NA NA +HMDB09073 PE(18:1(9Z)/22:1(13Z)) C45H86NO8P 799.609131 NA HMDB2010 NA NA +HMDB09105 PE(18:2(9Z,12Z)/22:0) C45H86NO8P 799.609131 NA HMDB2010 NA NA +HMDB09231 PE(20:0/20:2(11Z,14Z)) C45H86NO8P 799.609131 NA HMDB2010 NA NA +HMDB09263 PE(20:1(11Z)/20:1(11Z)) C45H86NO8P 799.609131 NA HMDB2010 NA NA +HMDB09295 PE(20:2(11Z,14Z)/20:0) C45H86NO8P 799.609131 NA HMDB2010 NA NA +HMDB09489 PE(22:0/18:2(9Z,12Z)) C45H86NO8P 799.609131 NA HMDB2010 NA NA +HMDB09520 PE(22:1(13Z)/18:1(11Z)) C45H86NO8P 799.609131 NA HMDB2010 NA NA +HMDB09521 PE(22:1(13Z)/18:1(9Z)) C45H86NO8P 799.609131 NA HMDB2010 NA NA +HMDB09552 PE(22:2(13Z,16Z)/18:0) C45H86NO8P 799.609131 NA HMDB2010 NA NA +HMDB09749 PE(24:1(15Z)/16:1(9Z)) C45H86NO8P 799.609131 NA HMDB2010 NA NA +HMDB08293 PC(20:0/P-18:1(11Z)) C46H90NO7P 799.645508 NA HMDB2010 NA NA +HMDB08294 PC(20:0/P-18:1(9Z)) C46H90NO7P 799.645508 NA HMDB2010 NA NA +HMDB08325 PC(20:1(11Z)/P-18:0) C46H90NO7P 799.645508 NA HMDB2010 NA NA +HMDB08586 PC(22:1(13Z)/P-16:0) C46H90NO7P 799.645508 NA HMDB2010 NA NA +HMDB11224 PC(P-16:0/22:1(13Z)) C46H90NO7P 799.645508 NA HMDB2010 NA NA +HMDB11249 PC(P-18:0/20:1(11Z)) C46H90NO7P 799.645508 NA HMDB2010 NA NA +HMDB11281 PC(P-18:1(11Z)/20:0) C46H90NO7P 799.645508 NA HMDB2010 NA NA +HMDB11314 PC(P-18:1(9Z)/20:0) C46H90NO7P 799.645508 NA HMDB2010 NA NA +HMDB13431 PC(o-18:1(9Z)/20:1(11Z)) C46H90NO7P 799.645508 NA HMDB2010 NA NA +HMDB13436 PC(o-18:2(9Z,12Z)/20:0) C46H90NO7P 799.645508 NA HMDB2010 NA NA +EUR1121 SM(d18:1/24:1) [M-H-CH3]- C47H94N2O6P 799.669301 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1121 SM(d18:1/24:1) [M-H-CH3]- C47H94N2O6P 799.669301 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1121 SM(d18:1/24:1) [M-H-CH3]- C47H94N2O6P 799.669301 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1121 SM(d18:1/24:1) [M-H-CH3]- C47H94N2O6P 799.669301 masses lipides attendues Inhousejuil11 NA NA +HMDB11696 SM(d17:1/24:1(15Z)) C46H92N2O6P 799.669312 NA HMDB2010 NA NA +MJ094800 Aplysina archeri Alkaloid C22H20Br4N4O9 799.796378 NA MeJP NA NA +MJ094801 Rawsonol C29H24Br4O7 799.825553 NA MeJP NA NA +C13704 TS-TM-calix(4)arene C32H32O16S4 800.0573 NA KEGG NA NA +MJ094802 Lagerstannin A C34H24O23 800.070837 NA MeJP NA NA +C10220 3,5-Di-O-galloyl-4-O-digalloylquinic acid C35H28O22 800.1072 NA KEGG NA NA +MJ094803 Quinic acid, 1,3,4,5-Tetrakis(3,4,5-trihydroxybenzoyl) C35H28O22 800.107222 NA MeJP NA NA +MJ094804 Quinic acid, 3-O-(Galloylgalloyl), 4,5-bis(3,4,5-trihydroxybenzoyl) C35H28O22 800.107222 NA MeJP NA NA +MJ094805 Quinic acid, 4-O-(Galloylgalloyl), 3,5-bis(3,4,5-trihydroxybenzoyl) C35H28O22 800.107222 NA MeJP NA NA +MJ094806 Quinic acid, 5-O-(Galloylgalloyl), 3,4-bis(3,4,5-trihydroxybenzoyl) C35H28O22 800.107222 NA MeJP NA NA +FL3FACGS0049 Luteolin 7,4'-diglucuronide-3'-glucoside C33H36O23 800.16473 69631-11-4 knapsack NA NA +MJ094807 3',4',5,7-Tetrahydroxyflavone; 4',7-Di-O-?-D-glucuronopyranoside, 3'-O-?-D-glucopyranoside C33H36O23 800.164737 NA MeJP NA NA +PJ038350 CCCNDDE C26H40N8O15S3 800.1776 NA PeJP NA NA +MJ094808 3',4',5,7-Tetrahydroxyflavone; 3'-O-[4-Hydroxy-3-methoxycinnamoyl-(??)-?-D-glucopyranoside], 7-O-glucuronoside C37H36O20 800.179993 NA MeJP NA NA +PJ038351 GCCCDDW C30H40N8O12S3 800.1928 NA PeJP NA NA +PJ038352 GSSCCDDD C26H40N8O17S2 800.1953 NA PeJP NA NA +PJ038353 GSPCCCCE C27H44N8O12S4 800.1962 NA PeJP NA NA +MJ094809 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside], 5-O-[6-O-acetyl-?-D-glucopyranoside] C34H41O22(+) 800.201122 NA MeJP NA NA +PJ038354 CCCNNNM C26H44N10O11S4 800.2074 NA PeJP NA NA +PJ038355 SPCCCCW C31H44N8O9S4 800.2114 NA PeJP NA NA +PJ038356 SCCNDEM C27H44N8O14S3 800.2139 NA PeJP NA NA +PJ038357 GGSCCDEM C27H44N8O14S3 800.214 NA PeJP NA NA +PJ038358 PCCCNMM C28H48N8O9S5 800.2148 NA PeJP NA NA +FL3FADCS0016 Isoscoparin 2''-(6-(E)-ferulylglucoside) C38H40O19 800.21637 97605-26-0 knapsack NA NA +FL5FADGA0025 Isorhamnetin 3-(3'''-ferulylrobinobioside);Isorhamnetin 3-(3'''-feruloylrhamnosyl)-(1->6)-galactoside;Quercetin 3'-methyl ether 3-(3'''-feruloylrhamnosyl)-(1->6)-galactoside;3-[[6-O-[6-Deoxy-3-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C38H40O19 800.21637 173485-09-1 knapsack NA NA +MJ094810 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-(4-Hydroxy-3-methoxycinnamoyl), 7-O-[?-L-rhamnopyranosyl-(1??)-?-D-glucopyranoside] C38H40O19 800.216379 NA MeJP NA NA +MJ094811 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(?3)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C38H40O19 800.216379 NA MeJP NA NA +MJ094812 Isoscoparin; 2''-O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranosyl] C38H40O19 800.216379 NA MeJP NA NA +MJ094813 Isovitexin; 6''-O-[4-Hydroxy-3,5-dimethoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl] C38H40O19 800.216379 NA MeJP NA NA +MJ094814 Isovitexin; 7-O-[4-Hydroxy-3,5-dimethoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C38H40O19 800.216379 NA MeJP NA NA +MJ094815 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C38H41O19(+) 800.216379 NA MeJP NA NA +PJ038359 SCCCDDR C26H44N10O13S3 800.2252 NA PeJP NA NA +PJ038360 GCNDDDY C30H40N8O16S 800.2283 NA PeJP NA NA +PJ038361 GSCCDMW C31H44N8O11S3 800.2292 NA PeJP NA NA +PJ038362 GSSSCDDM C27H44N8O16S2 800.2317 NA PeJP NA NA +PJ038363 GCNDMMM C28H48N8O11S4 800.2326 NA PeJP NA NA +PJ038364 CCCFYY C36H44N6O9S3 800.2332 NA PeJP NA NA +FL3FAIGS0010 Tricin 7-rutinoside-4'-glucoside C35H44O21 800.2375 58795-16-7 knapsack NA NA +FL5FCEGL0004 Ombuin 3-rutinoside-5-glucoside C35H44O21 800.2375 96400-43-0 knapsack NA NA +MJ094816 3',5,7-Trihydroxy-3,4'-dimethoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C35H44O21 800.237508 NA MeJP NA NA +MJ094817 3,3',4',5,7-Pentahydroxyflavone; 4',5-Di-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-D-glucopyranoside C35H44O21 800.237508 NA MeJP NA NA +MJ094818 3,3',5-Trihydroxy-4',7-dimethoxyflavone; 3-O-Rutinoside, 5-O-?-D-glucopyranoside C35H44O21 800.237508 NA MeJP NA NA +MJ094819 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-(Rhamnosylrutinoside) C35H44O21 800.237508 NA MeJP NA NA +MJ094820 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside C35H44O21 800.237508 NA MeJP NA NA +MJ094821 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C35H45O21(+) 800.237508 NA MeJP NA NA +PJ038365 SSSSCCNN C26H44N10O15S2 800.2429 NA PeJP NA NA +PJ038366 GCCCEMR C27H48N10O10S4 800.2438 NA PeJP NA NA +PJ038367 TCCCWW C35H44N8O8S3 800.2445 NA PeJP NA NA +PJ038368 SPCCNDY C31H44N8O13S2 800.2469 NA PeJP NA NA +PJ038369 SSSCCEW C31H44N8O13S2 800.247 NA PeJP NA NA +PJ038370 CCQMMW C32H48N8O8S4 800.2478 NA PeJP NA NA +PJ038371 SSSSSCDE C27H44N8O18S 800.2495 NA PeJP NA NA +PJ038372 SSCNEMM C28H48N8O13S3 800.2503 NA PeJP NA NA +PJ038373 SCCYYY C36H44N6O11S2 800.251 NA PeJP NA NA +MJ094822 Ferrichrysin C29H46FeN9O14 800.251364 NA MeJP NA NA +PJ038374 GCCNMHH C29H44N12O9S3 800.2517 NA PeJP NA NA +MJ094823 Catalpol; 6-O-[2,4-Bis-O-(4-hydroxy-E-cinnamoyl)-?-L-rhamnopyranoside] C39H44O18 800.252764 NA MeJP NA NA +PJ038375 DDEEMY C32H44N6O16S 800.2535 NA PeJP NA NA +HMDB01956 Heptacarboxylporphyrin III C40H40N4O14 800.254089 NA HMDB2010 NA NA +HMDB01956 Heptacarboxylporphyrin III C40H40N4O14 800.25409 http://www.hmdb.ca/metabolites/HMDB01956 HMDB NA NA +HMDB01956 Heptacarboxylporphyrin III C40H40N4O14 800.25409 HMDB01956 PFEM_hmdb_metabocards_official NA NA +PJ038376 GNDDDEH C29H40N10O17 800.2573 NA PeJP NA NA +PJ038377 EEMMMM C30H52N6O11S4 800.2577 NA PeJP NA NA +PJ038378 GCCNNQY C30H44N10O12S2 800.2582 NA PeJP NA NA +PJ038379 CCCMRW C31H48N10O7S4 800.2591 NA PeJP NA NA +PJ038380 SSCCDMR C27H48N10O12S3 800.2616 NA PeJP NA NA +PJ038381 CCNEFW C35H44N8O10S2 800.2622 NA PeJP NA NA +PJ038382 GSNDDMY C31H44N8O15S 800.2647 NA PeJP NA NA +PJ038383 GSSCMMW C32H48N8O10S3 800.2656 NA PeJP NA NA +MJ094824 Paulomycin A; 6'-De-O-Ac, 6'-O-propanoyl C35H48N2O17S 800.267368 NA MeJP NA NA +PJ038384 GSSSSDMM C28H48N8O15S2 800.2681 NA PeJP NA NA +PJ038385 GTCQMMM C29H52N8O10S4 800.2689 NA PeJP NA NA +PJ038386 GSNMMMM C29H52N8O10S4 800.269 NA PeJP NA NA +PJ038387 SSCCQHH C29H44N12O11S2 800.2694 NA PeJP NA NA +PJ038388 GGGGGGPCCH C29H44N12O11S2 800.2695 NA PeJP NA NA +PJ038389 DEEMMF C33H48N6O13S2 800.2721 NA PeJP NA NA +PJ038390 NDDDHW C33H40N10O14 800.2726 NA PeJP NA NA +MJ094825 Cistanoside A C36H48O20 800.273893 NA MeJP NA NA +MJ094826 Purpureaside C; 3'''-Me ether C36H48O20 800.273893 NA MeJP NA NA +MJ094827 Veronica undulata Phenylethanoid C36H48O20 800.273893 NA MeJP NA NA +PJ038391 SSCNNNY C30H44N10O14S 800.2759 NA PeJP NA NA +PJ038392 GGGGSSCNY C30H44N10O14S 800.276 NA PeJP NA NA +PJ038393 GPCCCRY C31H48N10O9S3 800.2768 NA PeJP NA NA +PJ038394 GCCFWW C39H44N8O7S2 800.2775 NA PeJP NA NA +PJ038395 SCNEYW C35H44N8O12S 800.28 NA PeJP NA NA +PJ038396 GTCCMMR C28H52N10O9S4 800.2802 NA PeJP NA NA +PJ038397 SSSNDEY C31H44N8O17 800.2825 NA PeJP NA NA +PJ038398 SSSTCMW C32H48N8O12S2 800.2833 NA PeJP NA NA +PJ038399 GGGGEMMY C32H48N8O12S2 800.2834 NA PeJP NA NA +PJ038400 CCKMMW C33H52N8O7S4 800.2842 NA PeJP NA NA +PJ038401 SSSSSSEM C28H48N8O17S 800.2858 NA PeJP NA NA +PJ038402 PDDEYY C36H44N6O15 800.2865 NA PeJP NA NA +PJ038403 SSSQMMM C29H52N8O12S3 800.2867 NA PeJP NA NA +PJ038404 GSSSSCHH C29H44N12O13S 800.2872 NA PeJP NA NA +PJ038405 ACCCKHH C30H48N12O8S3 800.2881 NA PeJP NA NA +MJ094828 Antibiotic BA 12100Z1; 4'''-O-(2-Carboxyacetyl), 12b-de-O-glycosyl C40H48O17 800.28915 NA MeJP NA NA +MJ094829 Ciclamycin O C40H48O17 800.28915 NA MeJP NA NA +PJ038406 TEEEMY C33H48N6O15S 800.2899 NA PeJP NA NA +PJ038407 PEMMMY C34H52N6O10S3 800.2907 NA PeJP NA NA +PJ038408 GSPCDHW C34H44N10O11S 800.2912 NA PeJP NA NA +PJ038409 GSNEEEH C30H44N10O16 800.2937 NA PeJP NA NA +PJ038410 CNDMRY C31H48N10O11S2 800.2946 NA PeJP NA NA +PJ038411 GSCYWW C39H44N8O9S 800.2952 NA PeJP NA NA +PJ038412 CMHHHH C32H44N14O7S2 800.2959 NA PeJP NA NA +PJ038413 GSSSDYW C35H44N8O14 800.2977 NA PeJP NA NA +PJ038414 SSSCMMR C28H52N10O11S3 800.2979 NA PeJP NA NA +PJ038415 GNMMYW C36H48N8O9S2 800.2986 NA PeJP NA NA +PJ038416 GSSQEMY C32H48N8O14S 800.3011 NA PeJP NA NA +PJ038417 GPCCKMY C33H52N8O9S3 800.302 NA PeJP NA NA +PJ038418 CNNQHW C33H44N12O10S 800.3024 NA PeJP NA NA +PJ038419 GGGGCQHW C33H44N12O10S 800.3025 NA PeJP NA NA +PJ038420 GSSSTTMM C29H52N8O14S2 800.3045 NA PeJP NA NA +PJ038421 SSNNNEH C29H44N12O15 800.3049 NA PeJP NA NA +PJ038422 GSDDDHR C29H44N12O15 800.305 NA PeJP NA NA +PJ038423 PDEMFY C37H48N6O12S 800.3051 NA PeJP NA NA +PJ038424 GTCKMMM C30H56N8O9S4 800.3053 NA PeJP NA NA +PJ038425 GPCCEHR C30H48N12O10S2 800.3058 NA PeJP NA NA +PJ038426 VEEMMY C34H52N6O12S2 800.3085 NA PeJP NA NA +PJ038427 NNNNYY C34H44N10O13 800.3089 NA PeJP NA NA +PJ038428 SNEEHW C34H44N10O13 800.309 NA PeJP NA NA +PJ038429 ACCRYW C35H48N10O8S2 800.3098 NA PeJP NA NA +PJ038430 GSSCERY C31H48N10O13S 800.3123 NA PeJP NA NA +PJ038431 GGAAEEMH C31H48N10O13S 800.3124 NA PeJP NA NA +PJ038432 GNDFYW C39H44N8O11 800.313 NA PeJP NA NA +PJ038433 CNMMFR C32H52N10O8S3 800.3132 NA PeJP NA NA +PJ038434 GPCNHHH C32H44N14O9S 800.3137 NA PeJP NA NA +PJ038435 SSQMYW C36H48N8O11S 800.3163 NA PeJP NA NA +PJ038436 GSSVCYW C36H48N8O11S 800.3164 NA PeJP NA NA +PJ038437 SSSTQEY C32H48N8O16 800.3188 NA PeJP NA NA +PJ038438 GGSSTTEY C32H48N8O16 800.3189 NA PeJP NA NA +PJ038439 NDKMMY C33H52N8O11S2 800.3197 NA PeJP NA NA +PJ038440 GSSNNHW C33H44N12O12 800.3202 NA PeJP NA NA +PJ038441 PCCHRW C34H48N12O7S2 800.3211 NA PeJP NA NA +PJ038442 SSSSTTTM C29H52N8O16S 800.3222 NA PeJP NA NA +PJ038443 PTEEYY C37H48N6O14 800.3229 NA PeJP NA NA +PJ038444 SSSKMMM C30H56N8O11S3 800.3231 NA PeJP NA NA +PJ038445 NDEMHR C30H48N12O12S 800.3236 NA PeJP NA NA +PJ038446 PPMMYY C38H52N6O9S2 800.3237 NA PeJP NA NA +PJ038447 PEMMFF C38H52N6O9S2 800.3238 NA PeJP NA NA +PJ038448 GSEHWW C38H44N10O10 800.3242 NA PeJP NA NA +MJ094830 2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 3-(2-Benzoyloxyacetyl), 7-(2-methylpropanoyl), 2,5,8,9-tetra-Ac C41H52O16 800.325535 NA MeJP NA NA +PJ038449 LEMMMF C35H56N6O9S3 800.3271 NA PeJP NA NA +PJ038450 SSCRYW C35H48N10O10S 800.3276 NA PeJP NA NA +PJ038451 SSSSDRY C31H48N10O15 800.3301 NA PeJP NA NA +PJ038452 SNMMRY C32H52N10O10S2 800.331 NA PeJP NA NA +PJ038453 NQEHHH C32H44N14O11 800.3314 NA PeJP NA NA +PJ038454 GGGAEHHH C32H44N14O11 800.3315 NA PeJP NA NA +PJ038455 GNMFFW C40H48N8O8S 800.3316 NA PeJP NA NA +PJ038456 GSSTTYW C36H48N8O13 800.3341 NA PeJP NA NA +PJ038457 CDDHRR C29H48N14O11S 800.3348 NA PeJP NA NA +PJ038458 ACKMYW C37H52N8O8S2 800.335 NA PeJP NA NA +3697 NA YPFGFNG 800.3359 ACE inhibitor Inhouse_peptide NA peptide +PJ038459 GSSKEMY C33H52N8O13S 800.3375 NA PeJP NA NA +PJ038460 PPDFYY C41H48N6O11 800.3381 NA PeJP NA NA +PJ038461 NKMMMF C34H56N8O8S3 800.3384 NA PeJP NA NA +PJ038462 GDMHRW C34H48N12O9S 800.3388 NA PeJP NA NA +PJ038463 SHWWW C42H44N10O7 800.3395 NA PeJP NA NA +PJ038464 GSSEEHR C30H48N12O14 800.3413 NA PeJP NA NA +PJ038465 GGGGGPDER C30H48N12O14 800.3414 NA PeJP NA NA +PJ038466 PVEMYY C38H52N6O11S 800.3415 NA PeJP NA NA +PJ038467 TCCRRY C31H52N12O9S2 800.3422 NA PeJP NA NA +PJ038468 AAMHWW C39H48N10O7S 800.3429 NA PeJP NA NA +PJ038469 SDKEHW C35H48N10O12 800.3453 NA PeJP NA NA +PJ038470 GSSVEHW C35H48N10O12 800.3454 NA PeJP NA NA +PJ038471 PCKMHW C36H52N10O7S2 800.3462 NA PeJP NA NA +PJ038472 GQHHHW C36H44N14O8 800.3467 NA PeJP NA NA +PJ038473 GSSTMRY C32H52N10O12S 800.3487 NA PeJP NA NA +PJ038474 SPPEWW C40H48N8O10 800.3494 NA PeJP NA NA +PJ038475 SSSNNHR C29H48N14O13 800.3525 NA PeJP NA NA +PJ038476 GGSSSNHR C29H48N14O13 800.3526 NA PeJP NA NA +PJ038477 SSKMYW C37H52N8O10S 800.3527 NA PeJP NA NA +PJ038478 GPPVDMW C37H52N8O10S 800.3528 NA PeJP NA NA +PJ038479 SSSTKEY C33H52N8O15 800.3552 NA PeJP NA NA +PJ038480 GPLQEEE C33H52N8O15 800.3553 NA PeJP NA NA +PJ038481 TQKMMY C34H56N8O10S2 800.3561 NA PeJP NA NA +PJ038482 SSEHRW C34H48N12O11 800.3566 NA PeJP NA NA +PJ038483 PPMFFY C42H52N6O8S 800.3568 NA PeJP NA NA +PJ038484 PHHHHH C35H44N16O7 800.3579 NA PeJP NA NA +PJ038485 VVEEYY C38H52N6O13 800.3593 NA PeJP NA NA +PJ038486 SSSPMHR C31H52N12O11S 800.3599 NA PeJP NA NA +PJ038487 TQEMHR C31H52N12O11S 800.36 NA PeJP NA NA +PJ038488 PLMMFY C39H56N6O8S2 800.3601 NA PeJP NA NA +PJ038489 ATTHWW C39H48N10O9 800.3606 NA PeJP NA NA +PJ038490 LLMMMY C36H60N6O8S3 800.3635 NA PeJP NA NA +PJ038491 PPDMRW C36H52N10O9S 800.364 NA PeJP NA NA +PJ038492 GHFFFF C44H48N8O7 800.3646 NA PeJP NA NA +PJ038493 SSSTTRY C32H52N10O14 800.3665 NA PeJP NA NA +PJ038494 TCKMRY C33H56N10O9S2 800.3673 NA PeJP NA NA +PJ038495 ASPKMMH C33H56N10O9S2 800.3674 NA PeJP NA NA +PJ038496 NNNHFR C33H48N14O10 800.3678 NA PeJP NA NA +PJ038497 PPCLWW C41H52N8O7S 800.368 NA PeJP NA NA +PJ038498 PLQEEW C37H52N8O12 800.3705 NA PeJP NA NA +PJ038499 SDMHRR C30H52N14O10S 800.3712 NA PeJP NA NA +PJ038500 PPQHHW C38H48N12O8 800.3718 NA PeJP NA NA +PJ038501 GAPPHHW C38H48N12O8 800.3719 NA PeJP NA NA +PJ038502 GTTTKMY C34H56N8O12S 800.3739 NA PeJP NA NA +PJ038503 PPVYYY C42H52N6O10 800.3745 NA PeJP NA NA +PJ038504 ATMHRW C35H52N12O8S 800.3752 NA PeJP NA NA +PJ038505 PDEERR C31H52N12O13 800.3777 NA PeJP NA NA +PJ038506 GGGGGGGGGGVL C31H52N12O13 800.3778 NA PeJP NA NA +PJ038507 VLEMFY C39H56N6O10S 800.3779 NA PeJP NA NA +PJ038508 VQMMHR C32H56N12O8S2 800.3786 NA PeJP NA NA +PJ038509 SQHHHR C32H48N16O9 800.379 NA PeJP NA NA +PJ038510 TNHHHR C32H48N16O9 800.3791 NA PeJP NA NA +PJ038511 PVDERW C36H52N10O11 800.3817 NA PeJP NA NA +PJ038512 GGGAPKEW C36H52N10O11 800.3818 NA PeJP NA NA +PJ038513 GKHHHW C37H48N14O7 800.3831 NA PeJP NA NA +PJ038514 APPTEMR C33H56N10O11S 800.3851 NA PeJP NA NA +PJ038515 AAKYYW C41H52N8O9 800.3857 NA PeJP NA NA +MJ094831 Antibiotic WIN 66306 C41H52N8O9 800.385725 NA MeJP NA NA +PJ038516 APLEWW C41H52N8O9 800.3858 NA PeJP NA NA +PJ038517 NQQQQR C30H52N14O12 800.3889 NA PeJP NA NA +PJ038518 GSPNDRR C30H52N14O12 800.389 NA PeJP NA NA +PJ038519 GPPTLMW C38H56N8O9S 800.3891 NA PeJP NA NA +PJ038520 AMMHRR C31H56N14O7S2 800.3898 NA PeJP NA NA +PJ038521 STTTTKY C34H56N8O14 800.3916 NA PeJP NA NA +PJ038522 TKKMMY C35H60N8O9S2 800.3925 NA PeJP NA NA +PJ038523 TTTHRW C35H52N12O10 800.393 NA PeJP NA NA +PJ038524 PLMFFF C43H56N6O7S 800.3932 NA PeJP NA NA +PJ038525 TLLEYY C39H56N6O12 800.3956 NA PeJP NA NA +PJ038526 TKEMHR C32H56N12O10S 800.3963 NA PeJP NA NA +PJ038527 GGGPVQMR C32H56N12O10S 800.3964 NA PeJP NA NA +PJ038528 LLMMFF C40H60N6O7S2 800.3965 NA PeJP NA NA +PJ038529 GPQKWW C40H52N10O8 800.397 NA PeJP NA NA +PJ038530 NNNQRR C29H52N16O11 800.4002 NA PeJP NA NA +PJ038531 SLKMHW C37H56N10O8S 800.4004 NA PeJP NA NA +PJ038532 TTTTLQH C33H56N10O13 800.4028 NA PeJP NA NA +PJ038533 GPTLEER C33H56N10O13 800.4029 NA PeJP NA NA +PJ038534 GPPLMMR C34H60N10O8S2 800.4037 NA PeJP NA NA +PJ038535 GEHFRR C34H52N14O9 800.4042 NA PeJP NA NA +PJ038536 PLKEEW C38H56N8O11 800.4069 NA PeJP NA NA +PJ038537 TTMHRR C31H56N14O9S 800.4076 NA PeJP NA NA +PJ038538 GVHFRW C39H52N12O7 800.4082 NA PeJP NA NA +MJ094832 Ansatrienin B; 20-O-?-D-Glucopyranoside C42H60N2O13 800.40954 NA MeJP NA NA +PJ038539 SPPLKEM C35H60N8O11S 800.4103 NA PeJP NA NA +PJ038540 PVLFYY C43H56N6O9 800.4109 NA PeJP NA NA +PJ038541 SSTTLHR C32H56N12O12 800.4141 NA PeJP NA NA +PJ038542 VLLMYY C40H60N6O9S 800.4143 NA PeJP NA NA +PJ038543 VKMMHR C33H60N12O7S2 800.415 NA PeJP NA NA +PJ038544 SKHHHR C33H52N16O8 800.4154 NA PeJP NA NA +PJ038545 PTLERW C37H56N10O10 800.4181 NA PeJP NA NA +PJ038546 PCNRRR C30H56N16O8S 800.4188 NA PeJP NA NA +PJ038547 HFRRW C38H52N14O6 800.4195 NA PeJP NA NA +PJ038548 GPVLEMR C34H60N10O10S 800.4215 NA PeJP NA NA +PJ038549 SPLLWW C42H56N8O8 800.4221 NA PeJP NA NA +PJ038550 GPPVVFW C42H56N8O8 800.4222 NA PeJP NA NA +PJ038551 VNQERR C31H56N14O11 800.4253 NA PeJP NA NA +PJ038552 GGGGLERR C31H56N14O11 800.4254 NA PeJP NA NA +PJ038553 AAPLLMW C39H60N8O8S 800.4255 NA PeJP NA NA +PJ038554 SPVLKEE C35H60N8O13 800.428 NA PeJP NA NA +PJ038555 PPVVKMM C36H64N8O8S2 800.4289 NA PeJP NA NA +PJ038556 SPQKRW C36H56N12O9 800.4294 NA PeJP NA NA +PJ038557 PLEMRR C33H60N12O9S 800.4327 NA PeJP NA NA +PJ038558 GPKKWW C41H56N10O7 800.4334 NA PeJP NA NA +PJ038559 GQERRR C30H56N16O10 800.4366 NA PeJP NA NA +PJ038560 PVLMRW C38H60N10O7S 800.4368 NA PeJP NA NA +PJ038561 SSPLLER C34H60N10O12 800.4392 NA PeJP NA NA +PJ038562 AALLEER C34H60N10O12 800.4393 NA PeJP NA NA +PJ038563 GVQRRW C35H56N14O8 800.4406 NA PeJP NA NA +PJ038564 LLLQEW C39H60N8O10 800.4433 NA PeJP NA NA +PJ038565 PNKMRR C32H60N14O8S 800.444 NA PeJP NA NA +PJ038566 SPLLLQM C36H64N8O10S 800.4466 NA PeJP NA NA +PJ038567 APLLKEM C36H64N8O10S 800.4467 NA PeJP NA NA +PJ038568 VLLFFY C44H60N6O8 800.4473 NA PeJP NA NA +MJ094833 Streptothricin; Streptothricin D, N?-Ac C33H60N12O11 800.45045 NA MeJP NA NA +PJ038569 VLEERR C33H60N12O11 800.4505 NA PeJP NA NA +PJ038570 QRRRW C34H56N16O7 800.4518 NA PeJP NA NA +PJ038571 VVLERW C38H60N10O9 800.4545 NA PeJP NA NA +MJ094834 12-Oleanene-3,15,16,21,22,28-hexol, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] C41H68O15 800.455821 NA MeJP NA NA +MJ094835 Arenaric acid C41H68O15 800.455821 NA MeJP NA NA +MJ094836 Lankamycin; 2A,3A-Didehydro, 3A-demethoxy C41H68O15 800.455821 NA MeJP NA NA +PJ038572 APTLLMR C35H64N10O9S 800.4579 NA PeJP NA NA +PJ038573 ALLLWW C43H60N8O7 800.4585 NA PeJP NA NA +PJ038574 VNKERR C32H60N14O10 800.4617 NA PeJP NA NA +PJ038575 GLLLKEE C36H64N8O12 800.4644 NA PeJP NA NA +PJ038576 SPKKRW C37H60N12O8 800.4657 NA PeJP NA NA +PJ038577 GAALKRW C37H60N12O8 800.4658 NA PeJP NA NA +PJ038578 AAPKKMR C34H64N12O8S 800.4691 NA PeJP NA NA +PJ038579 GKERRR C31H60N16O9 800.473 NA PeJP NA NA +PJ038580 GTLLLER C35H64N10O11 800.4756 NA PeJP NA NA +PJ038581 GGGLLKKE C35H64N10O11 800.4757 NA PeJP NA NA +PJ038582 GVKRRW C36H60N14O7 800.477 NA PeJP NA NA +PJ038583 LLLKEW C40H64N8O9 800.4797 NA PeJP NA NA +PJ038584 SPLLLKM C37H68N8O9S 800.483 NA PeJP NA NA +PJ038585 GTRRRR C30H60N18O8 800.4842 NA PeJP NA NA +PJ038586 LQKKER C34H64N12O10 800.4869 NA PeJP NA NA +PJ038587 KRRRW C35H60N16O6 800.4882 NA PeJP NA NA +PJ038588 TLLLRW C39H64N10O8 800.4909 NA PeJP NA NA +C08945 Ginsenoside Rf C42H72O14 800.4922 NA KEGG NA NA +C08946 Ginsenoside Rg1 C42H72O14 800.4922 NA KEGG NA NA +MJ094837 20,24-Epoxydammarane-3,12,23,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C42H72O14 800.492207 NA MeJP NA NA +MJ094838 20,24-Epoxydammarane-3,12,23,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] C42H72O14 800.492207 NA MeJP NA NA +MJ094839 20,24-Epoxydammarane-3,6,12,25-tetrol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C42H72O14 800.492207 NA MeJP NA NA +MJ094840 20,25-Epoxydammarane-3,12,23,24-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C42H72O14 800.492207 NA MeJP NA NA +MJ094841 21-Baccharene-3,18,27,28,29-pentol, 27-Deoxy, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside] C42H72O14 800.492207 NA MeJP NA NA +MJ094842 Cucurbit-5-ene-3,11,24,25-tetrol, 24-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C42H72O14 800.492207 NA MeJP NA NA +MJ094843 Cucurbit-5-ene-3,11,24,25-tetrol, 3,24-Di-O-?-D-glucopyranoside C42H72O14 800.492207 NA MeJP NA NA +MJ094844 Cucurbit-5-ene-3,11,24,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C42H72O14 800.492207 NA MeJP NA NA +MJ094845 Cucurbit-5-ene-3,23,24,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C42H72O14 800.492207 NA MeJP NA NA +MJ094846 Cycloartane-1,3,7,24,25-pentol, 3-O-?-L-Rhamnopyranoside, 25-O-?-D-glucopyranoside C42H72O14 800.492207 NA MeJP NA NA +MJ094847 Dammar-22-ene-3,12,20,24-tetrol, 3,20-Di-O-?-D-glucopyranoside C42H72O14 800.492207 NA MeJP NA NA +MJ094848 Dammar-23-ene-2,3,12,20,25-pentol, 20-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C42H72O14 800.492207 NA MeJP NA NA +MJ094849 Dammar-23-ene-3,12,20,25-tetrol, 3,20-Di-O-?-D-glucopyranoside C42H72O14 800.492207 NA MeJP NA NA +MJ094850 Dammar-24-ene-3,12,20,26-tetrol, 20-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C42H72O14 800.492207 NA MeJP NA NA +MJ094851 Dammar-24-ene-3,6,12,20-tetrol, 3,20-Di-O-?-D-glucopyranoside C42H72O14 800.492207 NA MeJP NA NA +MJ094852 Dammar-24-ene-3,6,12,20-tetrol, 6,20-Di-O-?-D-glucopyranoside C42H72O14 800.492207 NA MeJP NA NA +MJ094853 Dammar-24-ene-3,6,12,20-tetrol, 6-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H72O14 800.492207 NA MeJP NA NA +MJ094854 Dammar-24-ene-3,6,20,26-tetrol, 3,26-Di-O-?-D-glucopyranoside C42H72O14 800.492207 NA MeJP NA NA +MJ094855 Dammar-25-ene-3,12,20,24-tetrol, 3,20-Di-O-?-D-glucopyranoside C42H72O14 800.492207 NA MeJP NA NA +MJ094856 Lanost-9(11)-ene-3,22,24,25-tetrol, 3-O-?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside C42H72O14 800.492207 NA MeJP NA NA +PJ038589 GVLLLMR C36H68N10O8S 800.4943 NA PeJP NA NA +PJ038590 VDKKRR C33H64N14O9 800.4981 NA PeJP NA NA +PJ038591 SVLLLKE C37H68N8O11 800.5008 NA PeJP NA NA +PJ038592 ALKKRW C38H64N12O7 800.5021 NA PeJP NA NA +PJ038593 LLLMRR C35H68N12O7S 800.5055 NA PeJP NA NA +PJ038594 SVKRRR C32H64N16O8 800.5093 NA PeJP NA NA +PJ038595 SSLLLLR C36H68N10O10 800.512 NA PeJP NA NA +PJ038596 APLLLKF C41H68N8O8 800.516 NA PeJP NA NA +PJ038597 ALLLLKM C38H72N8O8S 800.5194 NA PeJP NA NA +PJ038598 LKKKER C35H68N12O9 800.5233 NA PeJP NA NA +PJ038599 VLKKKW C40H68N10O7 800.5273 NA PeJP NA NA +PJ038600 TLKKRR C34H68N14O8 800.5345 NA PeJP NA NA +PJ038601 TTLLLLK C38H72N8O10 800.5372 NA PeJP NA NA +PJ038602 ATLLKKK C37H72N10O9 800.5484 NA PeJP NA NA +HMDB10608 PG(18:0/20:3(5Z,8Z,11Z)) C44H81O10P 800.556763 NA HMDB2010 NA NA +HMDB10609 PG(18:0/20:3(8Z,11Z,14Z)) C44H81O10P 800.556763 NA HMDB2010 NA NA +PJ038603 AAKKKKK C36H72N12O8 800.5596 NA PeJP NA NA +MJ094857 Crambescidin 816; 13-Deoxy C45H80N6O6 800.613934 NA MeJP NA NA +HMDB13466 SM(d18:0/22:1(13Z)(OH)) C45H89N2O7P 800.640747 NA HMDB2010 NA NA +MJ094858 Drostanolone; Azine, 17,17'-dihexanoyl C52H84N2O4 800.643109 NA MeJP NA NA +MJ094859 Ergost-5-en-3-ol, O-(6-O-Hexadecanoyl-?-D-glucopyranoside) C50H88O7 800.653005 NA MeJP NA NA +HMDB12105 SM(d18:1/23:0) C46H93N2O6P 800.677124 NA HMDB2010 NA NA +HMDB05432 1,2,3-propanetriyl ester Hexadecenoic acid C51H92O6 800.68939 http://www.hmdb.ca/metabolites/HMDB05432 HMDB NA NA +HMDB05432 1,2,3-propanetriyl ester Hexadecenoic acid C51H92O6 800.68939 HMDB05432 PFEM_hmdb_metabocards_official NA NA +HMDB05432 TG(16:1(9Z)/16:1(9Z)/16:1(9Z))[iso] C51H92O6 800.689392 NA HMDB2010 NA NA +HMDB10422 TG(16:1(9Z)/14:0/18:2(9Z,12Z))[iso6] C51H92O6 800.689392 NA HMDB2010 NA NA +3022 kinases inhibitor KKKLRRQEAFDAL 800.96045 MH2+ Inhouse_peptide NA peptide +HMDB11612 6-Hydroxy flavin adenine dinucleotide C27H33N9O16P2 801.152039 NA HMDB2010 NA NA +PJ038604 CCCCCMH C26H43N9O8S6 801.1559 NA PeJP NA NA +PJ038605 CCCDDDE C26H39N7O16S3 801.1616 NA PeJP NA NA +PJ038606 GPCCCCCN C26H43N9O10S5 801.1737 NA PeJP NA NA +MJ094860 Mesaconyl-CoA C26H41N7O16P2S 801.180572 NA MeJP NA NA +PJ038607 CCCNNDM C26H43N9O12S4 801.1914 NA PeJP NA NA +PJ038608 GGGGCCCDM C26H43N9O12S4 801.1915 NA PeJP NA NA +PJ038609 SCCDDEM C27H43N7O15S3 801.198 NA PeJP NA NA +PJ038610 PCCCDMM C28H47N7O10S5 801.1988 NA PeJP NA NA +PJ038611 GCCCCQW C30H43N9O9S4 801.2067 NA PeJP NA NA +FL7AAGGA0015 Delphinidin 3-(2-xylosylgalactoside)-5-(6-acetylglucoside) C34H41O22 801.20894 328899-02-1 knapsack NA NA +PJ038612 GSSCCCNE C26H43N9O14S3 801.2092 NA PeJP NA NA +PJ038613 GCDDDDY C30H39N7O17S 801.2124 NA PeJP NA NA +PJ038614 PCCCDDF C31H43N7O12S3 801.2132 NA PeJP NA NA +PJ038615 GCDDMMM C28H47N7O12S4 801.2166 NA PeJP NA NA +PJ038616 PCCCCHH C29H43N11O8S4 801.2179 NA PeJP NA NA +FL7AAIGL0019 Tibouchinin;Malvidin-3-(6-O-p-coumarylglucoside)-5-glucoside C38H41O19 801.2242 144940-56-7<BR>51939-51-6 knapsack NA NA +FL7AAIGL0031 Malvidin 3-O-(6-O-(Z)-p-coumalonyl-beta-glucopyranoside)-5-O-beta-glucopyranoside C38H41O19 801.2242 - knapsack NA NA +FL7AAIGL0037 Malvidin 3-O-(6-O-(4-O-caffeoyl-alpha-rhamnopyranosyl)-beta-glucopyranoside) C38H41O19 801.2242 769106-18-5 knapsack NA NA +PJ038617 SSCCCNW C30H43N9O11S3 801.2244 NA PeJP NA NA +PJ038618 GGSSCCCW C30H43N9O11S3 801.2245 NA PeJP NA NA +PJ038619 SSSSCCND C26H43N9O16S2 801.2269 NA PeJP NA NA +PJ038620 GGSSSSCCD C26H43N9O16S2 801.227 NA PeJP NA NA +PJ038621 SCCNNMM C27H47N9O11S4 801.2278 NA PeJP NA NA +PJ038622 SPCCDDY C31H43N7O14S2 801.231 NA PeJP NA NA +PJ038623 CCEMMW C32H47N7O9S4 801.2318 NA PeJP NA NA +PJ038624 SSCDEMM C28H47N7O14S3 801.2343 NA PeJP NA NA +PJ038625 SPCCMMM C29H51N7O9S5 801.2352 NA PeJP NA NA +PJ038626 GCCDMHH C29H43N11O10S3 801.2357 NA PeJP NA NA +PJ038627 SCCCCQR C26H47N11O10S4 801.239 NA PeJP NA NA +PJ038628 GGTCCCCR C26H47N11O10S4 801.2391 NA PeJP NA NA +PJ038629 GDDDDEH C29H39N9O18 801.2413 NA PeJP NA NA +PJ038630 GCCNNEY C30H43N9O13S2 801.2422 NA PeJP NA NA +PJ038631 GCCCCKW C31H47N9O8S4 801.2431 NA PeJP NA NA +FL7AAIGL0009 Malvidin 3-rutinoside-5-glucoside C35H45O21 801.24533 68736-45-8 knapsack NA NA +PJ038632 GSSSCCQM C27H47N9O13S3 801.2456 NA PeJP NA NA +PJ038633 CCDEFW C35H43N7O11S2 801.2462 NA PeJP NA NA +PJ038634 GSDDDMY C31H43N7O16S 801.2487 NA PeJP NA NA +PJ038635 GPCCEMY C32H47N7O11S3 801.2496 NA PeJP NA NA +PJ038636 GSDMMMM C29H51N7O11S4 801.253 NA PeJP NA NA +PJ038637 SSCCEHH C29H43N11O12S2 801.2534 NA PeJP NA NA +PJ038638 GGPCCNDH C29H43N11O12S2 801.2535 NA PeJP NA NA +PJ038639 DDDDHW C33H39N9O15 801.2566 NA PeJP NA NA +PJ038640 GSSSCCCR C26H47N11O12S3 801.2568 NA PeJP NA NA +PJ038641 CCNNYW C34H43N9O10S2 801.2575 NA PeJP NA NA +PJ038642 SSCNNDY C30H43N9O15S 801.26 NA PeJP NA NA +PJ038643 GCCNQMF C31H47N9O10S3 801.2608 NA PeJP NA NA +PJ038644 GGGGACCMF C31H47N9O10S3 801.2609 NA PeJP NA NA +PJ038645 SSSSSCNM C27H47N9O15S2 801.2633 NA PeJP NA NA +PJ038646 SCDEYW C35H43N7O13S 801.264 NA PeJP NA NA +PJ038647 SCCCQKM C28H51N9O10S4 801.2642 NA PeJP NA NA +PJ038648 PCCMYW C36H47N7O8S3 801.2649 NA PeJP NA NA +PJ038649 SSSDDEY C31H43N7O18 801.2665 NA PeJP NA NA +PJ038650 NDEMMY C32H47N7O13S2 801.2674 NA PeJP NA NA +PJ038651 TCMMMW C33H51N7O8S4 801.2682 NA PeJP NA NA +PJ038652 SSSEMMM C29H51N7O13S3 801.2707 NA PeJP NA NA +PJ038653 GNNDDMH C29H43N11O14S 801.2712 NA PeJP NA NA +PJ038654 QMMMMM C30H55N7O8S5 801.2716 NA PeJP NA NA +PJ038655 GCCCNFR C30H47N11O9S3 801.2721 NA PeJP NA NA +PJ038656 SCCCCKR C27H51N11O9S4 801.2754 NA PeJP NA NA +PJ038657 GSDEEEH C30H43N9O17 801.2777 NA PeJP NA NA +PJ038658 CDDMRY C31H47N9O12S2 801.2786 NA PeJP NA NA +PJ038659 GSSSSSSTC C27H47N9O17S 801.2811 NA PeJP NA NA +PJ038660 NDDEFY C35H43N7O15 801.2817 NA PeJP NA NA +PJ038661 GGDDEFY C35H43N7O15 801.2818 NA PeJP NA NA +PJ038662 GSSSCCKM C28H51N9O12S3 801.282 NA PeJP NA NA +PJ038663 SCNNNNH C28H43N13O13S 801.2824 NA PeJP NA NA +PJ038664 GGGGGGSCNH C28H43N13O13S 801.2825 NA PeJP NA NA +PJ038665 GDMMYW C36H47N7O10S2 801.2826 NA PeJP NA NA +PJ038666 CMMMMR C29H55N9O7S5 801.2828 NA PeJP NA NA +PJ038667 GSSEEMY C32H47N7O15S 801.2851 NA PeJP NA NA +PJ038668 GPTCMMY C33H51N7O10S3 801.286 NA PeJP NA NA +PJ038669 CNEHHY C33H43N11O11S 801.2864 NA PeJP NA NA +PJ038670 CNNEHW C33H43N11O11S 801.2865 NA PeJP NA NA +PJ038671 SSNNDEH C29H43N11O16 801.289 NA PeJP NA NA +PJ038672 ASTMMMM C30H55N7O10S4 801.2893 NA PeJP NA NA +PJ038673 GTTMMMM C30H55N7O10S4 801.2894 NA PeJP NA NA +PJ038674 GSCCNRY C30H47N11O11S2 801.2898 NA PeJP NA NA +PJ038675 SDEEHW C34H43N9O14 801.293 NA PeJP NA NA +PJ038676 PCEMHW C35H47N9O9S2 801.2939 NA PeJP NA NA +PJ038677 SSSNNMY C31H47N9O14S 801.2963 NA PeJP NA NA +PJ038678 GGGGSSSMY C31H47N9O14S 801.2964 NA PeJP NA NA +PJ038679 GDDFYW C39H43N7O12 801.297 NA PeJP NA NA +PJ038680 CDMMFR C32H51N9O9S3 801.2972 NA PeJP NA NA +PJ038681 GPCDHHH C32H43N13O10S 801.2977 NA PeJP NA NA +PJ038682 PCCFFW C40H47N7O7S2 801.2979 NA PeJP NA NA +PJ038683 SSSSSSSSS C27H47N9O19 801.2988 NA PeJP NA NA +PJ038684 SSSSTCCK C28H51N9O14S2 801.2997 NA PeJP NA NA +PJ038685 SSEMYW C36H47N7O12S 801.3004 NA PeJP NA NA +PJ038686 SCCCKKM C29H55N9O9S4 801.3006 NA PeJP NA NA +PJ038687 GMMMFW C37H51N7O7S3 801.3012 NA PeJP NA NA +PJ038688 GCNHWW C37H43N11O8S 801.3017 NA PeJP NA NA +PJ038689 SSSTEEY C32H47N7O17 801.3029 NA PeJP NA NA +PJ038690 TQEMMY C33H51N7O12S2 801.3037 NA PeJP NA NA +PJ038691 GSSNDHW C33H43N11O13 801.3042 NA PeJP NA NA +PJ038692 MYYYY C41H47N5O10S 801.3044 NA PeJP NA NA +PJ038693 CQMHHF C34H47N11O8S2 801.3051 NA PeJP NA NA +PJ038694 STTTMMM C30H55N7O12S3 801.3071 NA PeJP NA NA +PJ038695 DDEMHR C30H47N11O13S 801.3076 NA PeJP NA NA +PJ038696 KMMMMM C31H59N7O7S5 801.308 NA PeJP NA NA +PJ038697 AEEMHW C35H47N9O11S 801.3116 NA PeJP NA NA +PJ038698 GSSSSSQY C31H47N9O16 801.3141 NA PeJP NA NA +PJ038699 SDMMRY C32H51N9O11S2 801.315 NA PeJP NA NA +PJ038700 NEEHHH C32H43N13O12 801.3155 NA PeJP NA NA +PJ038701 APCYYW C40H47N7O9S 801.3156 NA PeJP NA NA +PJ038702 CCHHFR C33H47N13O7S2 801.3163 NA PeJP NA NA +PJ038703 AQEEYY C36H47N7O14 801.3181 NA PeJP NA NA +PJ038704 GSCNEHR C29H47N13O12S 801.3188 NA PeJP NA NA +PJ038705 ATMMYW C37H51N7O9S2 801.319 NA PeJP NA NA +3717 NA YPFGFDG 801.3199 ACE inhibitor Inhouse_peptide NA peptide +PJ038706 GTTTEMY C33H51N7O14S 801.3215 NA PeJP NA NA +PJ038707 VQMMMY C34H55N7O9S3 801.3224 NA PeJP NA NA +PJ038708 SNQMHW C34H47N11O10S 801.3228 NA PeJP NA NA +PJ038709 GGGGTMHW C34H47N11O10S 801.3229 NA PeJP NA NA +PJ038710 GPNDDER C30H47N11O15 801.3253 NA PeJP NA NA +PJ038711 GGGPDDER C30H47N11O15 801.3254 NA PeJP NA NA +PJ038712 QQQMMH C31H51N11O10S2 801.3262 NA PeJP NA NA +PJ038713 GSNNHHH C31H43N15O11 801.3267 NA PeJP NA NA +PJ038714 PPCNWW C39H47N9O8S 801.3269 NA PeJP NA NA +PJ038715 SNQQYY C35H47N9O13 801.3293 NA PeJP NA NA +PJ038716 TTEEHW C35H47N9O13 801.3294 NA PeJP NA NA +PJ038717 PTMMHW C36H51N9O8S2 801.3302 NA PeJP NA NA +PJ038718 GEHHHW C36H43N13O9 801.3307 NA PeJP NA NA +PJ038719 SSSCQKY C32H51N9O13S 801.3327 NA PeJP NA NA +PJ038720 GGAASPPDM C32H51N9O13S 801.3328 NA PeJP NA NA +PJ038721 AAEYYW C40H47N7O11 801.3334 NA PeJP NA NA +PJ038722 AMMMRY C33H55N9O8S3 801.3336 NA PeJP NA NA +PJ038723 SCNHRW C33H47N13O9S 801.3341 NA PeJP NA NA +PJ038724 SSSNDHR C29H47N13O14 801.3366 NA PeJP NA NA +PJ038725 TTTMYW C37H51N7O11S 801.3367 NA PeJP NA NA +PJ038726 GGVEMFY C37H51N7O11S 801.3368 NA PeJP NA NA +PJ038727 FFYYY C45H47N5O9 801.3374 NA PeJP NA NA +PJ038728 GGNMMHR C30H51N13O9S2 801.3375 NA PeJP NA NA +PJ038729 STTTTEY C33H51N7O16 801.3392 NA PeJP NA NA +PJ038730 GPLEEEE C33H51N7O16 801.3393 NA PeJP NA NA +PJ038731 TKEMMY C34H55N7O11S2 801.3401 NA PeJP NA NA +PJ038732 PNDDRW C34H47N11O12 801.3406 NA PeJP NA NA +PJ038733 CKMHHF C35H51N11O7S2 801.3415 NA PeJP NA NA +PJ038734 TEEMHR C31H51N11O12S 801.344 NA PeJP NA NA +PJ038735 GPQEWW C39H47N9O10 801.3446 NA PeJP NA NA +PJ038736 PMMMHR C32H55N11O7S3 801.3448 NA PeJP NA NA +PJ038737 HHHWW C40H43N13O6 801.346 NA PeJP NA NA +PJ038738 GNNNNNR C28H47N15O13 801.3478 NA PeJP NA NA +PJ038739 GGGGGGGGGGGR C28H47N15O13 801.3479 NA PeJP NA NA +PJ038740 SLEMHW C36H51N9O10S 801.348 NA PeJP NA NA +PJ038741 TFYWW C44H47N7O8 801.3486 NA PeJP NA NA +PJ038742 CCQHRR C29H51N15O8S2 801.3487 NA PeJP NA NA +PJ038743 GSSSSSKY C32H51N9O15 801.3505 NA PeJP NA NA +PJ038744 TTMMRY C33H55N9O10S2 801.3514 NA PeJP NA NA +PJ038745 NNDHFR C33H47N13O11 801.3518 NA PeJP NA NA +PJ038746 GGGGDHFR C33H47N13O11 801.3519 NA PeJP NA NA +PJ038747 GVMFYW C41H51N7O8S 801.352 NA PeJP NA NA +PJ038748 PLEEEW C37H51N7O13 801.3545 NA PeJP NA NA +PJ038749 GSSQMHR C30H51N13O11S 801.3552 NA PeJP NA NA +PJ038750 VQMMFF C38H55N7O8S2 801.3554 NA PeJP NA NA +PJ038751 ANQHFW C38H47N11O9 801.3558 NA PeJP NA NA +PJ038752 GQQHFW C38H47N11O9 801.3559 NA PeJP NA NA +PJ038753 SSTTLMY C34H55N7O13S 801.3579 NA PeJP NA NA +PJ038754 VKMMMY C35H59N7O8S3 801.3587 NA PeJP NA NA +PJ038755 PPPVMMM C35H59N7O8S3 801.3588 NA PeJP NA NA +PJ038756 GSPPCRW C35H51N11O9S 801.3592 NA PeJP NA NA +PJ038757 PQWWW C43H47N9O7 801.3599 NA PeJP NA NA +PJ038758 GSPQEER C31H51N11O14 801.3617 NA PeJP NA NA +PJ038759 GGGGGGALQE C31H51N11O14 801.3618 NA PeJP NA NA +PJ038760 VEMMHR C32H55N11O9S2 801.3626 NA PeJP NA NA +PJ038761 SEHHHR C32H47N15O10 801.3631 NA PeJP NA NA +PJ038762 MFRYW C40H51N9O7S 801.3632 NA PeJP NA NA +PJ038763 PCLHFW C40H51N9O7S 801.3633 NA PeJP NA NA +PJ038764 PNKEEW C36H51N9O12 801.3657 NA PeJP NA NA +PJ038765 GGPKEEW C36H51N9O12 801.3658 NA PeJP NA NA +PJ038766 GSSCHRR C29H51N15O10S 801.3664 NA PeJP NA NA +PJ038767 VVMMHW C37H55N9O7S2 801.3666 NA PeJP NA NA +PJ038768 SVHHHW C37H47N13O8 801.3671 NA PeJP NA NA +PJ038769 SSSCKKY C33H55N9O12S 801.3691 NA PeJP NA NA +PJ038770 GTLYYW C41H51N7O10 801.3698 NA PeJP NA NA +PJ038771 LQMHHH C34H51N13O8S 801.3705 NA PeJP NA NA +PJ038772 SSSTQHR C30H51N13O13 801.3729 NA PeJP NA NA +PJ038773 GSPDDRR C30H51N13O13 801.373 NA PeJP NA NA +PJ038774 PTKMYY C38H55N7O10S 801.3731 NA PeJP NA NA +PJ038775 PPPVDMF C38H55N7O10S 801.3732 NA PeJP NA NA +PJ038776 APPCCRR C31H55N13O8S2 801.3738 NA PeJP NA NA +PJ038777 SPVLEEE C34H55N7O15 801.3756 NA PeJP NA NA +PJ038778 PPVVEMM C35H59N7O10S2 801.3765 NA PeJP NA NA +PJ038779 SPQERW C35H51N11O11 801.377 NA PeJP NA NA +PJ038780 SSPPQMR C32H55N11O11S 801.3803 NA PeJP NA NA +PJ038781 AAPQEMR C32H55N11O11S 801.3804 NA PeJP NA NA +PJ038782 GPKEWW C40H51N9O9 801.381 NA PeJP NA NA +PJ038783 CLHHHR C33H51N15O7S 801.3817 NA PeJP NA NA +PJ038784 NNNERR C29H51N15O12 801.3842 NA PeJP NA NA +PJ038785 GSPPKMW C37H55N9O9S 801.3844 NA PeJP NA NA +3272 NA VTRGDSPA 801.3849 celiac toxic Inhouse_peptide NA peptide +PJ038786 GVFFFW C45H51N7O7 801.385 NA PeJP NA NA +PJ038787 CCKHRR C30H55N15O7S2 801.3851 NA PeJP NA NA +PJ038788 TTTTLEH C33H55N9O14 801.3869 NA PeJP NA NA +PJ038789 ASLLMMH C34H59N9O9S2 801.3877 NA PeJP NA NA +PJ038790 GTLLMMH C34H59N9O9S2 801.3878 NA PeJP NA NA +PJ038791 GQQQRW C34H51N13O10 801.3882 NA PeJP NA NA +PJ038792 SLKEYY C38H55N7O12 801.3909 NA PeJP NA NA +PJ038793 PNEMRR C31H55N13O10S 801.3916 NA PeJP NA NA +PJ038794 VKMMFF C39H59N7O7S2 801.3918 NA PeJP NA NA +PJ038795 GPTRWW C39H51N11O8 801.3922 NA PeJP NA NA +PJ038796 GGAKHFW C39H51N11O8 801.3923 NA PeJP NA NA +3345 ACE inhibitor DMIPAQK 801.3923 celiac toxic Inhouse_peptide NA peptide +PJ038797 APLLEEM C35H59N7O12S 801.3943 NA PeJP NA NA +PJ038798 PVNMRW C36H55N11O8S 801.3956 NA PeJP NA NA +PJ038799 PKWWW C44H51N9O6 801.3963 NA PeJP NA NA +PJ038800 GSPKEER C32H55N11O13 801.3981 NA PeJP NA NA +PJ038801 APPCKMR C33H59N11O8S2 801.399 NA PeJP NA NA +PJ038802 GNNRRW C33H51N15O9 801.3995 NA PeJP NA NA +MJ094861 Liposidomycin; Liposidomycin Y-I, 5,6,8,9-Tetrahydro, 3-deacyl, desulfo C36H59N5O15 801.400766 NA MeJP NA NA +PJ038803 PDKKEW C37H55N9O11 801.4021 NA PeJP NA NA +MJ094862 Tryptophylvalylvalylglycylaspartylvalylglutamine C37H55N9O11 801.402103 NA MeJP NA NA +PJ038804 GGGALLEW C37H55N9O11 801.4022 NA PeJP NA NA +PJ038805 PCDRRR C30H55N15O9S 801.4028 NA PeJP NA NA +8299 ACE inhibitor RMLGQTP 801.4034 NA ;SYN:2-Amino-3-(3,4-dihydroxyphenyl)propanoate; 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid; DL-3',4'-Dihydroxyphenylalanine; 3,4-Dihydroxy-DL-phenylalanine; 3,4-Dihydroxyphenylalanine; 3-(3,4-Dihydroxyphenyl)-DL-alanine;(+/-) 3-(3,4-Dihydroxyphenyl)alanine; DL-3,4-Dihydroxyphenylalanine; DL-3-Hydroxytyrosine; DL-4,5-Dihydroxyphenylalanine; DL-b-(3,4-Dihydroxyphenyl)alanine; a-amino-3,4-dihydroxy-Benzenepropanoate; a-amino-3,4-dihydroxy-Benzenepropanoic acid; b-(3,4-Dihydroxyphenyl)-a-alanine; DL-beta-(3,4-Dihydroxyphenyl)alanine; alpha-amino-3,4-dihydroxy-Benzenepropanoate; alpha-amino-3,4-dihydroxy-Benzenepropanoic acid; beta-(3,4-Dihydroxyphenyl)-alpha-alanine; DL-Dioxyphenylalanine; alpha-amino-Hydrocaffeic acidH2Blood Inhouse_peptide NA peptide +PJ038806 PKHHHF C38H51N13O7 801.4035 NA PeJP NA NA +PJ038807 STTLLMH C34H59N9O11S 801.4055 NA PeJP NA NA +PJ038808 PTKFFY C42H55N7O9 801.4062 NA PeJP NA NA +PJ038809 GPMRRW C35H55N13O7S 801.4069 NA PeJP NA NA +PJ038810 GSPTERR C31H55N13O12 801.4093 NA PeJP NA NA +PJ038811 VNEERR C31H55N13O12 801.4094 NA PeJP NA NA +PJ038812 VVKMYY C39H59N7O9S 801.4095 NA PeJP NA NA +PJ038813 CKKMHR C32H59N13O7S2 801.4102 NA PeJP NA NA +PJ038814 GLLLEEE C35H59N7O14 801.412 NA PeJP NA NA +PJ038815 PPTLLMM C36H63N7O9S2 801.4129 NA PeJP NA NA +PJ038816 SPKERW C36H55N11O10 801.4134 NA PeJP NA NA +MJ094863 Maridomycin VI C39H63NO16 801.414684 NA MeJP NA NA +MJ094864 Carboxymycobactins; Carboxymycobactin 5 C40H59N5O12 801.416022 NA MeJP NA NA +PJ038817 AAPKEMR C33H59N11O10S 801.4167 NA PeJP NA NA +PJ038818 GPVDKMR C33H59N11O10S 801.4168 NA PeJP NA NA +PJ038819 SPVKWW C41H55N9O8 801.4174 NA PeJP NA NA +PJ038820 GEERRR C30H55N15O11 801.4206 NA PeJP NA NA +PJ038821 PLQKMW C38H59N9O8S 801.4208 NA PeJP NA NA +PJ038822 APTKKEE C34H59N9O13 801.4233 NA PeJP NA NA +PJ038823 APPKKMM C35H63N9O8S2 801.4241 NA PeJP NA NA +PJ038824 GVERRW C35H55N13O9 801.4246 NA PeJP NA NA +PJ038825 LLLEEW C39H59N7O11 801.4273 NA PeJP NA NA +PJ038826 PDKMRR C32H59N13O9S 801.428 NA PeJP NA NA +PJ038827 AALRWW C40H55N11O7 801.4286 NA PeJP NA NA +PJ038828 SPLLLEM C36H63N7O11S 801.4307 NA PeJP NA NA +PJ038829 SNNRRR C29H55N17O10 801.4318 NA PeJP NA NA +PJ038830 PCLKRW C37H59N11O7S 801.432 NA PeJP NA NA +PJ038831 LQKEER C33H59N11O12 801.4345 NA PeJP NA NA +PJ038832 KKKMMH C34H63N11O7S2 801.4354 NA PeJP NA NA +PJ038833 ERRRW C34H55N15O8 801.4358 NA PeJP NA NA +PJ038834 GAPKHHR C34H55N15O8 801.4359 NA PeJP NA NA +PJ038835 VLQKEW C38H59N9O10 801.4385 NA PeJP NA NA +PJ038836 SPMRRR C31H59N15O8S 801.4392 NA PeJP NA NA +PJ038837 VRRWW C39H55N13O6 801.4399 NA PeJP NA NA +PJ038838 GPLKKEM C35H63N9O10S 801.4419 NA PeJP NA NA +PJ038839 VVKFFY C43H59N7O8 801.4425 NA PeJP NA NA +PJ038840 PPPVVFF C43H59N7O8 801.4426 NA PeJP NA NA +PJ038841 VDKERR C32H59N13O11 801.4457 NA PeJP NA NA +PJ038842 GGAADKKR C32H59N13O11 801.4458 NA PeJP NA NA +PJ038843 PPVVLMF C40H63N7O8S 801.4459 NA PeJP NA NA +PJ038844 SVLLLEE C36H63N7O13 801.4484 NA PeJP NA NA +PJ038845 PVVLLMM C37H67N7O8S2 801.4493 NA PeJP NA NA +PJ038846 ALKERW C37H59N11O9 801.4498 NA PeJP NA NA +MJ094865 Josamycin S C40H67NO15 801.45107 NA MeJP NA NA +PJ038847 GPTLKMR C34H63N11O9S 801.4531 NA PeJP NA NA +PJ038848 GLLKWW C42H59N9O7 801.4538 NA PeJP NA NA +PJ038849 SVERRR C31H59N15O10 801.457 NA PeJP NA NA +PJ038850 PLKKMW C39H63N9O7S 801.4572 NA PeJP NA NA +PJ038851 SPTLKKE C35H63N9O12 801.4596 NA PeJP NA NA +PJ038852 GVLKKEE C35H63N9O12 801.4597 NA PeJP NA NA +PJ038853 ATLRRW C36H59N13O8 801.461 NA PeJP NA NA +PJ038854 SPPLLLY C40H63N7O10 801.4637 NA PeJP NA NA +PJ038855 VLQMRR C33H63N13O8S 801.4644 NA PeJP NA NA +PJ038856 ALLLLEM C37H67N7O10S 801.467 NA PeJP NA NA +PJ038857 VVVLLEM C37H67N7O10S 801.4671 NA PeJP NA NA +PJ038858 LKKEER C34H63N11O11 801.4709 NA PeJP NA NA +PJ038859 APFRRR C35H59N15O7 801.4722 NA PeJP NA NA +PJ038860 VLKKEW C39H63N9O9 801.4749 NA PeJP NA NA +PJ038861 ALMRRR C32H63N15O7S 801.4756 NA PeJP NA NA +PJ038862 SPVLKKM C36H67N9O9S 801.4783 NA PeJP NA NA +PJ038863 TLKERR C33H63N13O10 801.4821 NA PeJP NA NA +PJ038864 TTLLLLE C37H67N7O12 801.4848 NA PeJP NA NA +PJ038865 SLLKRW C38H63N11O8 801.4861 NA PeJP NA NA +MJ094866 Erythromycin D; 4''-O Propanoyl, 3''-Ac C41H71NO14 801.487455 NA MeJP NA NA +PJ038866 AALLKMR C35H67N11O8S 801.4895 NA PeJP NA NA +PJ038867 TTLRRR C32H63N15O9 801.4934 NA PeJP NA NA +PJ038868 ATLLKKE C36H67N9O11 801.496 NA PeJP NA NA +MJ094867 Nephilatoxin 2 C37H63N13O7 801.497341 NA MeJP NA NA +PJ038869 GKKKRW C37H63N13O7 801.4974 NA PeJP NA NA +7565 ACE inhibitor LHLPLPL 801.498 antioxidative Inhouse_peptide NA peptide +PJ038870 APLLLLY C41H67N7O9 801.5001 NA PeJP NA NA +PJ038871 VLKMRR C34H67N13O7S 801.5008 NA PeJP NA NA +PJ038872 SLLLLLM C38H71N7O9S 801.5034 NA PeJP NA NA +PJ038873 ATTLLKR C35H67N11O10 801.5073 NA PeJP NA NA +PJ038874 GPLLKKF C40H67N9O8 801.5113 NA PeJP NA NA +PJ038875 GLLLKKM C37H71N9O8S 801.5147 NA PeJP NA NA +PJ038876 DKKKKR C34H67N13O9 801.5185 NA PeJP NA NA +EUR685 PC(36:5) [M+Na]+ C44H78NO8P 801.528453 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR980 PC 36:5 [M+Na]+ C44H78NO8P 801.528453 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR685 PC(36:5) [M+Na]+ C44H78NO8P 801.528453 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR980 PC 36:5 [M+Na]+ C44H78NO8P 801.528453 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR685 PC(36:5) [M+Na]+ C44H78NO8P 801.528453 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR980 PC 36:5 [M+Na]+ C44H78NO8P 801.528453 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR685 PC(36:5) [M+Na]+ C44H78NO8P 801.528453 masses lipides attendues Inhousejuil11 NA NA +EUR980 PC 36:5 [M+Na]+ C44H78NO8P 801.528453 masses lipides attendues Inhousejuil11 NA NA +PJ038877 SKKKRR C33H67N15O8 801.5297 NA PeJP NA NA +HMDB08182 PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C46H76NO8P 801.530884 NA HMDB2010 NA NA +HMDB08215 PC(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C46H76NO8P 801.530884 NA HMDB2010 NA NA +HMDB08246 PC(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) C46H76NO8P 801.530884 NA HMDB2010 NA NA +HMDB08247 PC(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) C46H76NO8P 801.530884 NA HMDB2010 NA NA +HMDB08437 PC(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) C46H76NO8P 801.530884 NA HMDB2010 NA NA +HMDB08470 PC(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) C46H76NO8P 801.530884 NA HMDB2010 NA NA +HMDB08501 PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)) C46H76NO8P 801.530884 NA HMDB2010 NA NA +HMDB08502 PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) C46H76NO8P 801.530884 NA HMDB2010 NA NA +PJ038878 STLLLKK C37H71N9O10 801.5324 NA PeJP NA NA +PJ038879 ALLLLLF C42H71N7O8 801.5364 NA PeJP NA NA +MJ094868 Nairaiamide A C42H71N7O8 801.536412 NA MeJP NA NA +PJ038880 GTLKKKK C36H71N11O9 801.5437 NA PeJP NA NA +EUR952 PC 34:3 [M+FA-H]- C42H78NO8P 801.551387 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR952 PC 34:3 [M+FA-H]- C42H78NO8P 801.551387 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR952 PC 34:3 [M+FA-H]- C42H78NO8P 801.551387 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR952 PC 34:3 [M+FA-H]- C42H78NO8P 801.551387 masses lipides attendues Inhousejuil11 NA NA +HMDB07952 PC(15:0/22:1(13Z)) C45H88NO8P 801.624756 NA HMDB2010 NA NA +HMDB08560 PC(22:1(13Z)/15:0) C45H88NO8P 801.624756 NA HMDB2010 NA NA +HMDB08948 PE(16:0/24:1(15Z)) C45H88NO8P 801.624756 NA HMDB2010 NA NA +HMDB08980 PE(16:1(9Z)/24:0) C45H88NO8P 801.624756 NA HMDB2010 NA NA +HMDB09007 PE(18:0/22:1(13Z)) C45H88NO8P 801.624756 NA HMDB2010 NA NA +HMDB09039 PE(18:1(11Z)/22:0) C45H88NO8P 801.624756 NA HMDB2010 NA NA +HMDB09072 PE(18:1(9Z)/22:0) C45H88NO8P 801.624756 NA HMDB2010 NA NA +HMDB09230 PE(20:0/20:1(11Z)) C45H88NO8P 801.624756 NA HMDB2010 NA NA +HMDB09262 PE(20:1(11Z)/20:0) C45H88NO8P 801.624756 NA HMDB2010 NA NA +HMDB09487 PE(22:0/18:1(11Z)) C45H88NO8P 801.624756 NA HMDB2010 NA NA +HMDB09488 PE(22:0/18:1(9Z)) C45H88NO8P 801.624756 NA HMDB2010 NA NA +HMDB09519 PE(22:1(13Z)/18:0) C45H88NO8P 801.624756 NA HMDB2010 NA NA +HMDB09716 PE(24:0/16:1(9Z)) C45H88NO8P 801.624756 NA HMDB2010 NA NA +HMDB09748 PE(24:1(15Z)/16:0) C45H88NO8P 801.624756 NA HMDB2010 NA NA +HMDB05340 GPEtn(20:0/20:1(11Z)) C45H88NO8P 801.62476 http://www.hmdb.ca/metabolites/HMDB05340 HMDB NA NA +HMDB05340 GPEtn(20:0/20:1(11Z)) C45H88NO8P 801.62476 HMDB05340 PFEM_hmdb_metabocards_official NA NA +MJ094869 2-Amino-11-nonadecene-1,3,4-triol; N-(2-Hydroxyeicosanoyl), 1-O-?-D-glucopyranoside C45H87NO10 801.632998 NA MeJP NA NA +HMDB08292 PC(20:0/P-18:0) C46H92NO7P 801.661133 NA HMDB2010 NA NA +HMDB08554 PC(22:0/P-16:0) C46H92NO7P 801.661133 NA HMDB2010 NA NA +HMDB11223 PC(P-16:0/22:0) C46H92NO7P 801.661133 NA HMDB2010 NA NA +HMDB11248 PC(P-18:0/20:0) C46H92NO7P 801.661133 NA HMDB2010 NA NA +HMDB13416 PC(o-16:1(9Z)/22:0) C46H92NO7P 801.661133 NA HMDB2010 NA NA +HMDB13430 PC(o-18:1(9Z)/20:0) C46H92NO7P 801.661133 NA HMDB2010 NA NA +HMDB11695 SM(d17:1/24:0) C46H94N2O6P 801.684937 NA HMDB2010 NA NA +EUR1116 SM(d18:1/24:0) [M-H-CH3]- C47H96N2O6P 801.684951 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1116 SM(d18:1/24:0) [M-H-CH3]- C47H96N2O6P 801.684951 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1116 SM(d18:1/24:0) [M-H-CH3]- C47H96N2O6P 801.684951 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1116 SM(d18:1/24:0) [M-H-CH3]- C47H96N2O6P 801.684951 masses lipides attendues Inhousejuil11 NA NA +8237 Antioxidative peptide AIEWEGIESGSVEQA 801.8605 MH2+ Inhouse_peptide NA peptide +6990 potential coeliac toxic peptide (extended motif) PQNPSQQQPQEQVP 801.87045 MH2+ Inhouse_peptide NA peptide +7437 coeliac toxic peptide VQGQGIIQPQQPAQL 801.9255 MH2+ Inhouse_peptide NA peptide +MJ094870 Isomallotinic acid C34H26O23 802.086487 NA MeJP NA NA +MJ094871 Laevigatin A C34H26O23 802.086487 NA MeJP NA NA +MJ094872 Macaranin B C34H26O23 802.086487 NA MeJP NA NA +MJ094873 Mallorepanin C34H26O23 802.086487 NA MeJP NA NA +MJ094874 Mallotinic acid C34H26O23 802.086487 NA MeJP NA NA +MJ094875 Punigluconin C34H26O23 802.086487 NA MeJP NA NA +MJ094876 Rugosin A; 1,2-Di-O-degalloyl C34H26O23 802.086487 NA MeJP NA NA +MJ094877 Sanguiin H7 C34H26O23 802.086487 NA MeJP NA NA +MJ094878 Shephagenin B C34H26O23 802.086487 NA MeJP NA NA +MJ094879 Terchebin; 3-O-Degalloyl C34H26O23 802.086487 NA MeJP NA NA +MJ094880 Vitilagin C34H26O23 802.086487 NA MeJP NA NA +C17521 Mallotinic acid C34H26O23 802.0865 NA KEGG NA NA +MJ094881 2,3,4,6-Tetragalloylglucose; ?-D-Pyranose-form, Me glycoside C35H30O22 802.122872 NA MeJP NA NA +C09064 Atractyloside C30H44O16S2 802.1345 NA KEGG NA NA +PJ038881 GPCCCCCD C26H42N8O11S5 802.1577 NA PeJP NA NA +PJ038882 CCCCDQE C26H42N8O13S4 802.1754 NA PeJP NA NA +PJ038883 CCCNDDM C26H42N8O13S4 802.1755 NA PeJP NA NA +FL5FACGL0035 Quercetin 3-sophoroside-7-glucuronide C33H38O23 802.18038 140163-57-1 knapsack NA NA +FL5FACGL0037 Quercetin 3-gentiobioside-7-glucuronide C33H38O23 802.18038 134981-90-1 knapsack NA NA +MJ094882 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 7-O-?-D-glucuronopyranoside C33H38O23 802.180387 NA MeJP NA NA +MJ094883 3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-D-glucuronopyranoside C33H38O23 802.180387 NA MeJP NA NA +MJ094884 3,4',5,6,7-Pentahydroxyflavone; 3,6-Di-O-?-D-glucopyranoside, 7-O-?-D-glucuronopyranoside C33H38O23 802.180387 NA MeJP NA NA +PJ038884 GSCCCCNN C25H42N10O12S4 802.1867 NA PeJP NA NA +PJ038885 GCCCCEW C30H42N8O10S4 802.1907 NA PeJP NA NA +PJ038886 GSSCCCDE C26H42N8O15S3 802.1932 NA PeJP NA NA +PJ038887 GSPCCCCM C27H46N8O10S5 802.1941 NA PeJP NA NA +FL5FACGS0106 Quercetin 3-(2'''-feruloylsophoroside);2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C37H38O20 802.19564 219745-01-4 knapsack NA NA +MJ094885 Hyperin; 2''-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl] C37H38O20 802.195643 NA MeJP NA NA +MJ094886 Isoquercitrin; 2''-[4-Hydroxy-3-methoxycinnamoyl-(?2)-?-D-glucopyranosyl] C37H38O20 802.195643 NA MeJP NA NA +MJ094887 Isoquercitrin; O''-(4-Hydroxy-3-methoxycinnamoyl), 4'-O-?-D-glucopyranoside C37H38O20 802.195643 NA MeJP NA NA +MJ094888 Quercimeritrin; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(?3)-?-D-glucopyranoside] C37H38O20 802.195643 NA MeJP NA NA +PJ038888 CCCCWW C34H42N8O7S4 802.206 NA PeJP NA NA +PJ038889 SSCCCDW C30H42N8O12S3 802.2085 NA PeJP NA NA +PJ038890 SSSSCCDD C26H42N8O17S2 802.211 NA PeJP NA NA +PJ038891 SCCNDMM C27H46N8O12S4 802.2118 NA PeJP NA NA +MJ094889 Aurantoside A; O-De-Me C35H44Cl2N2O15 802.211874 NA MeJP NA NA +FL5FADGA0015 Isorhamnetin 3-glucosyl-(1->2)-galactoside-7-glucoside C34H42O22 802.21677 - knapsack NA NA +FL5FADGA0016 Isorhamnetin 3-glucosyl-(1->6)-galactoside-7-glucoside;Quercetin 3'-methyl ether 3-glucosyl-(1->6)-galactoside-7-glucoside;3-[(6-O-beta-D-Glucopyranosyl-beta-D-galactopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C34H42O22 802.21677 157201-73-5 knapsack NA NA +FL5FADGL0018 Isorhamnetin 3-gentiotrioside C34H42O22 802.21677 84534-25-8 knapsack NA NA +FL5FADGL0024 Isorhamnetin 3-sophoroside-7-glucoside C34H42O22 802.21677 17331-29-2 knapsack NA NA +FL5FADGL0026 Isorhamnetin 3-gentiobioside-7-glucoside C34H42O22 802.21677 - knapsack NA NA +FL5FADGL0031 Isorhamnetin 3-glucoside-7-gentiobioside C34H42O22 802.21677 60778-00-9 knapsack NA NA +FL5FAHGL0004 Laricitrin 3-rutinoside-7-glucoside C34H42O22 802.21677 55481-93-1 knapsack NA NA +FL5FCCGA0007 Rhamnetin 3-galactoside-3',4'-diglucoside C34H42O22 802.21677 106092-16-4 knapsack NA NA +FL5FCCGL0004 Rhamnetin 3,3',4'-triglucoside C34H42O22 802.21677 105705-95-1 knapsack NA NA +FL5FECGS0066 Spinacetin 3-(2''-apiosylgentiobioside);Quercetagetin 6,3'-dimethyl ether 3-(2''-apiosylgentiobioside);3-[(O-D-Apio-beta-D-furanosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one C34H42O22 802.21677 195206-60-1 knapsack NA NA +FL5FGCGS0002 3,5,6,7,8,4'-Hexahydroxy-3'-methoxyflavone 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside;3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-5,6,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C34H42O22 802.21677 228575-23-3 knapsack NA NA +MJ094890 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside C34H42O22 802.216773 NA MeJP NA NA +MJ094891 3,3',4',5,6,7,8-Heptahydroxyflavone; 3'-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C34H42O22 802.216773 NA MeJP NA NA +MJ094892 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-(Digalactosylrhamnoside) C34H42O22 802.216773 NA MeJP NA NA +MJ094893 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3,3',4'-Tri-O-?-D-glucopyranoside C34H42O22 802.216773 NA MeJP NA NA +MJ094894 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-?-D-Galactopyranoside, 3',4'-di-O-?-D-glucopyranoside C34H42O22 802.216773 NA MeJP NA NA +MJ094895 3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-D-glucopyranoside C34H42O22 802.216773 NA MeJP NA NA +MJ094896 3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C34H42O22 802.216773 NA MeJP NA NA +MJ094897 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside], 7-O-?-D-glucopyranoside C34H42O22 802.216773 NA MeJP NA NA +MJ094898 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-galactopyranoside], 7-O-?-D-glucopyranoside C34H42O22 802.216773 NA MeJP NA NA +MJ094899 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Glucopyranosyl, 7-O-?-D-glucopyranoside C34H42O22 802.216773 NA MeJP NA NA +MJ094900 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-D-Glucopyranosyl, 7-O-?-D-glucopyranoside C34H42O22 802.216773 NA MeJP NA NA +MJ094901 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] C34H42O22 802.216773 NA MeJP NA NA +MJ094902 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C34H42O22 802.216773 NA MeJP NA NA +PJ038892 SCCCCER C26H46N10O11S4 802.2231 NA PeJP NA NA +PJ038893 GCCNDEY C30H42N8O14S2 802.2262 NA PeJP NA NA +PJ038894 GTCCCMW C31H46N8O9S4 802.2271 NA PeJP NA NA +PJ038895 GSSSCCEM C27H46N8O14S3 802.2296 NA PeJP NA NA +PJ038896 GCCQMMM C28H50N8O9S5 802.2305 NA PeJP NA NA +PJ038897 SCCCNHH C28H42N12O10S3 802.2309 NA PeJP NA NA +PJ038898 PCCNDDH C29H42N10O13S2 802.2375 NA PeJP NA NA +PJ038899 CCNDYW C34H42N8O11S2 802.2415 NA PeJP NA NA +PJ038900 GCCCMMR C27H50N10O8S5 802.2417 NA PeJP NA NA +PJ038901 SSCNDDY C30H42N8O16S 802.244 NA PeJP NA NA +PJ038902 SSSCCMW C31H46N8O11S3 802.2448 NA PeJP NA NA +PJ038903 GGPTCCCY C31H46N8O11S3 802.2449 NA PeJP NA NA +PJ038904 SSSSSCDM C27H46N8O16S2 802.2473 NA PeJP NA NA +PJ038905 SSCNMMM C28H50N8O11S4 802.2482 NA PeJP NA NA +PJ038906 DDEMMY C32H46N6O14S2 802.2514 NA PeJP NA NA +MJ094903 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)][2,3-dihydroxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] C35H46O21 802.253158 NA MeJP NA NA +MJ094904 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?6)][3,4-dihydroxycinnamoyl-(?4)]-?-D-glucopyranoside] C35H46O21 802.253158 NA MeJP NA NA +PJ038907 GNDDDMH C29H42N10O15S 802.2552 NA PeJP NA NA +PJ038908 EMMMMM C30H54N6O9S5 802.2556 NA PeJP NA NA +PJ038909 GCCCDFR C30H46N10O10S3 802.2561 NA PeJP NA NA +PJ038910 STCCCMR C27H50N10O10S4 802.2594 NA PeJP NA NA +PJ038911 CCNMFW C35H46N8O8S3 802.2601 NA PeJP NA NA +PJ038912 GSCNEMY C31H46N8O13S2 802.2626 NA PeJP NA NA +PJ038913 PCCCCKF C32H50N8O8S4 802.2635 NA PeJP NA NA +PJ038914 DDDEFY C35H42N6O16 802.2658 NA PeJP NA NA +PJ038915 GSSSTCMM C28H50N8O13S3 802.266 NA PeJP NA NA +PJ038916 SCNNNDH C28H42N12O14S 802.2664 NA PeJP NA NA +PJ038917 GGSCNNDH C28H42N12O14S 802.2665 NA PeJP NA NA +PJ038918 GCCKMMM C29H54N8O8S5 802.2669 NA PeJP NA NA +FL5FABGI0025 8-Prenylkaempferol 4'-methyl ether 3-[4'''-,6'''-diacetylglucosyl-(1->3)-4''-acetylrhamnoside] C39H46O18 802.26841 - knapsack NA NA +MJ094905 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[2,6-di-O-acetyl-?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside] C39H46O18 802.268414 NA MeJP NA NA +PJ038919 DEMMMF C33H50N6O11S3 802.27 NA PeJP NA NA +PJ038920 CNDEHW C33H42N10O12S 802.2705 NA PeJP NA NA +PJ038921 SSNDDEH C29H42N10O17 802.273 NA PeJP NA NA +PJ038922 GSCCDRY C30H46N10O12S2 802.2738 NA PeJP NA NA +PJ038923 GGSPCDMH C30H46N10O12S2 802.2739 NA PeJP NA NA +PJ038924 NNDDYY C34H42N8O15 802.277 NA PeJP NA NA +PJ038925 SCNMYW C35H46N8O10S2 802.2778 NA PeJP NA NA +PJ038926 GGSCMYW C35H46N8O10S2 802.2779 NA PeJP NA NA +PJ038927 SSSCQEY C31H46N8O15S 802.2803 NA PeJP NA NA +PJ038928 SSSNDMY C31H46N8O15S 802.2804 NA PeJP NA NA +PJ038929 NNMMMY C32H50N8O10S3 802.2812 NA PeJP NA NA +PJ038930 SSSSSSMM C28H50N8O15S2 802.2837 NA PeJP NA NA +PJ038931 PDDMYY C36H46N6O13S 802.2844 NA PeJP NA NA +PJ038932 STCCKMM C29H54N8O10S4 802.2846 NA PeJP NA NA +PJ038933 GCNNQMH C29H46N12O11S2 802.2851 NA PeJP NA NA +PJ038934 GCDHWW C37H42N10O9S 802.2857 NA PeJP NA NA +PJ038935 TEEMMY C33H50N6O13S2 802.2878 NA PeJP NA NA +PJ038936 GSSDDHW C33H42N10O14 802.2882 NA PeJP NA NA +PJ038937 PMMMMY C34H54N6O8S4 802.2886 NA PeJP NA NA +PJ038938 GPTCCHW C34H46N10O9S2 802.2891 NA PeJP NA NA +PJ038939 GSNEEMH C30H46N10O14S 802.2916 NA PeJP NA NA +PJ038940 CCQMRY C31H50N10O9S3 802.2925 NA PeJP NA NA +PJ038941 CCHFFF C39H46N8O7S2 802.2931 NA PeJP NA NA +PJ038942 GSSTCYW C35H46N8O12S 802.2956 NA PeJP NA NA +PJ038943 GCCNNHR C28H46N14O10S2 802.2963 NA PeJP NA NA +PJ038944 GSSSSSEY C31H46N8O17 802.2981 NA PeJP NA NA +PJ038945 GSSQMMY C32H50N8O12S2 802.299 NA PeJP NA NA +PJ038946 DEEHHH C32H42N12O13 802.2995 NA PeJP NA NA +PJ038947 AEEEYY C36H46N6O15 802.3021 NA PeJP NA NA +PJ038948 GSCDEHR C29H46N12O13S 802.3028 NA PeJP NA NA +PJ038949 GGGGGGSSMH C29H46N12O13S 802.3029 NA PeJP NA NA +PJ038950 PDMMFY C37H50N6O10S2 802.303 NA PeJP NA NA +PJ038951 CCCRRY C30H50N12O8S3 802.3037 NA PeJP NA NA +PJ038952 VEMMMY C34H54N6O10S3 802.3064 NA PeJP NA NA +PJ038953 SNEMHW C34H46N10O11S 802.3068 NA PeJP NA NA +PJ038954 GGSEMHW C34H46N10O11S 802.3069 NA PeJP NA NA +PJ038955 SSSQEEH C30H46N10O16 802.3093 NA PeJP NA NA +PJ038956 GPDDDER C30H46N10O16 802.3094 NA PeJP NA NA +PJ038957 GSSCMRY C31H50N10O11S2 802.3102 NA PeJP NA NA +PJ038958 GGGGGAPPCM C31H50N10O11S2 802.3103 NA PeJP NA NA +PJ038959 GSNDHHH C31H42N14O12 802.3107 NA PeJP NA NA +PJ038960 PPCDWW C39H46N8O9S 802.3109 NA PeJP NA NA +PJ038961 SSSSSYW C35H46N8O14 802.3134 NA PeJP NA NA +FL1DA9NC0011 2'''',2''''',2''''''-Trihydroxy-5'',5'''',5'''''-tribenzyldiuvaretin C51H46O9 802.31418 154879-09-1 knapsack NA NA +FL1DA9NC0012 2'''',2''''',2''''''-Trihydroxy-5''',3'''',5'''''-tribenzylisodiuvaretin C51H46O9 802.31418 154879-10-4 knapsack NA NA +MJ094906 3'''',5''',5'''''-Tribenzyl-2'''',2''''',2''''''-trihydroxyisodiuvaretin C51H46O9 802.314183 NA MeJP NA NA +MJ094907 5'',5'''',5'''''-Tribenzyl-2'''',2''''',2''''''-trihydroxydiuvaretin C51H46O9 802.314183 NA MeJP NA NA +PJ038962 TCCKYW C36H50N8O9S2 802.3142 NA PeJP NA NA +PJ038963 GGNMMFF C36H50N8O9S2 802.3143 NA PeJP NA NA +PJ038964 SSSTQMY C32H50N8O14S 802.3167 NA PeJP NA NA +PJ038965 SPPNEEM C32H50N8O14S 802.3168 NA PeJP NA NA +PJ038966 PDDFFY C40H46N6O12 802.3174 NA PeJP NA NA +PJ038967 CQKMMY C33H54N8O9S3 802.3176 NA PeJP NA NA +PJ038968 SCDHRW C33H46N12O10S 802.3181 NA PeJP NA NA +MJ094908 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 13-Cinnamoyl, 10-benzoyl, 2,4,7,9-tetra-Ac C44H50O14 802.320056 NA MeJP NA NA +PJ038969 SSSDDHR C29H46N12O15 802.3206 NA PeJP NA NA +PJ038970 PTEMYY C37H50N6O12S 802.3208 NA PeJP NA NA +PJ038971 NDMMHR C30H50N12O10S2 802.3215 NA PeJP NA NA +PJ038972 PMMMFF C38H54N6O7S3 802.3216 NA PeJP NA NA +PJ038973 GSMHWW C38H46N10O8S 802.3221 NA PeJP NA NA +PJ038974 PDDDRW C34H46N10O13 802.3246 NA PeJP NA NA +PJ038975 LMMMMF C35H58N6O7S4 802.325 NA PeJP NA NA +PJ038976 AQMMHW C35H50N10O8S2 802.3255 NA PeJP NA NA +PJ038977 SSSTCRY C31H50N10O13S 802.328 NA PeJP NA NA +PJ038978 GPEEWW C39H46N8O11 802.3286 NA PeJP NA NA +PJ038979 GGGGDFFF C39H46N8O11 802.3287 NA PeJP NA NA +PJ038980 CCKMRY C32H54N10O8S3 802.3289 NA PeJP NA NA +PJ038981 NQMHHH C32H46N14O9S 802.3293 NA PeJP NA NA +PJ038982 GNNNNDR C28H46N14O14 802.3318 NA PeJP NA NA +PJ038983 GGGGGGGNDR C28H46N14O14 802.3319 NA PeJP NA NA +PJ038984 GSPPEMW C36H50N8O11S 802.332 NA PeJP NA NA +PJ038985 CCEHRR C29H50N14O9S2 802.3327 NA PeJP NA NA +PJ038986 GSSSTTTY C32H50N8O16 802.3345 NA PeJP NA NA +PJ038987 GSSKMMY C33H54N8O11S2 802.3354 NA PeJP NA NA +PJ038988 NNNQQW C33H46N12O12 802.3358 NA PeJP NA NA +PJ038989 GGGGNQQW C33H46N12O12 802.3359 NA PeJP NA NA +PJ038990 PDMFFF C41H50N6O9S 802.336 NA PeJP NA NA +PJ038991 ACMHRW C34H50N12O7S2 802.3367 NA PeJP NA NA +MJ094909 Antibiotic A 201A C37H50N6O14 802.3385 NA MeJP NA NA +PJ038992 SLEEYY C37H50N6O14 802.3385 NA PeJP NA NA +PJ038993 GSSEMHR C30H50N12O12S 802.3392 NA PeJP NA NA +PJ038994 GGGGGGGGPCK C30H50N12O12S 802.3393 NA PeJP NA NA +PJ038995 PVMMYY C38H54N6O9S2 802.3394 NA PeJP NA NA +PJ038996 SSTHWW C38H46N10O10 802.3399 NA PeJP NA NA +PJ038997 CNHHHR C31H46N16O8S 802.3406 NA PeJP NA NA +MJ094910 Isoterracinolide A C41H54O16 802.341185 NA MeJP NA NA +PJ038998 SDKMHW C35H50N10O10S 802.3432 NA PeJP NA NA +PJ038999 GGGAPQMW C35H50N10O10S 802.3433 NA PeJP NA NA +PJ039000 PEWWW C43H46N8O8 802.3439 NA PeJP NA NA +PJ039001 GSPEEER C31H50N10O15 802.3457 NA PeJP NA NA +PJ039002 GGGVQQEE C31H50N10O15 802.3458 NA PeJP NA NA +PJ039003 GPPDMMR C32H54N10O10S2 802.3466 NA PeJP NA NA +PJ039004 GSTQHHH C32H46N14O11 802.3471 NA PeJP NA NA +PJ039005 SPPMWW C40H50N8O8S 802.3473 NA PeJP NA NA +PJ039006 TTQQYY C36H50N8O13 802.3497 NA PeJP NA NA +PJ039007 PDKEEW C36H50N8O13 802.3498 NA PeJP NA NA +MJ094911 Naphthomycin A; 30-Dechloro, 30-[(2-acetamidoethyl)thio] C44H54N2O10S 802.349916 NA MeJP NA NA +PJ039008 AAPPMMW C37H54N8O8S2 802.3506 NA PeJP NA NA +PJ039009 PEHHHF C37H46N12O9 802.3511 NA PeJP NA NA +PJ039010 SSSTKMY C33H54N8O13S 802.3531 NA PeJP NA NA +PJ039011 GGAPLEEM C33H54N8O13S 802.3532 NA PeJP NA NA +PJ039012 PPTYYY C41H50N6O11 802.3538 NA PeJP NA NA +PJ039013 CKKMMY C34H58N8O8S3 802.354 NA PeJP NA NA +PJ039014 SSMHRW C34H50N12O9S 802.3545 NA PeJP NA NA +PJ039015 QHFWW C42H46N10O7 802.3551 NA PeJP NA NA +PJ039016 SSSTEHR C30H50N12O14 802.357 NA PeJP NA NA +PJ039017 VVEMYY C38H54N6O11S 802.3572 NA PeJP NA NA +PJ039018 TQMMHR C31H54N12O9S2 802.3578 NA PeJP NA NA +PJ039019 GATMMHR C31H54N12O9S2 802.3579 NA PeJP NA NA +PJ039020 CLHHFF C39H50N10O7S 802.3585 NA PeJP NA NA +PJ039021 SPEERW C35H50N10O12 802.361 NA PeJP NA NA +PJ039022 AKMMHW C36H54N10O7S2 802.3619 NA PeJP NA NA +PJ039023 AAPEEMR C32H54N10O12S 802.3644 NA PeJP NA NA +MJ094912 Dermorphin C40H50N8O10 802.364989 NA MeJP NA NA +PJ039024 SPVEWW C40H50N8O10 802.365 NA PeJP NA NA +PJ039025 GPPCHHR C33H50N14O8S 802.3657 NA PeJP NA NA +PJ039026 NNDERR C29H50N14O13 802.3682 NA PeJP NA NA +PJ039027 PLQEMW C37H54N8O10S 802.3684 NA PeJP NA NA +PJ039028 TCMHRR C30H54N14O8S2 802.3691 NA PeJP NA NA +PJ039029 APTKEEE C33H54N8O15 802.3709 NA PeJP NA NA +PJ039030 APPKEMM C34H58N8O10S2 802.3718 NA PeJP NA NA +PJ039031 GQQERW C34H50N12O11 802.3722 NA PeJP NA NA +PJ039032 GGGAAERW C34H50N12O11 802.3723 NA PeJP NA NA +PJ039033 PVMFFY C42H54N6O8S 802.3724 NA PeJP NA NA +PJ039034 VHHHHH C35H46N16O7 802.3736 NA PeJP NA NA +PJ039035 PDEMRR C31H54N12O11S 802.3756 NA PeJP NA NA +PJ039036 VLMMFY C39H58N6O8S2 802.3758 NA PeJP NA NA +PJ039037 SVQHFW C39H50N10O9 802.3762 NA PeJP NA NA +PJ039038 GVQQWW C39H50N10O9 802.3763 NA PeJP NA NA +PJ039039 PVDMRW C36H54N10O9S 802.3796 NA PeJP NA NA +PJ039040 APPFWW C44H50N8O7 802.3803 NA PeJP NA NA +PJ039041 LQEEER C32H54N10O14 802.3821 NA PeJP NA NA +PJ039042 GGGGALDKE C32H54N10O14 802.3822 NA PeJP NA NA +PJ039043 APPTMMR C33H58N10O9S2 802.383 NA PeJP NA NA +PJ039044 GNDRRW C33H50N14O10 802.3835 NA PeJP NA NA +PJ039045 APLMWW C41H54N8O7S 802.3837 NA PeJP NA NA +MJ094913 N-Deacyltunicamycin; N4''-(10-Methyl-2-dodecenoyl) C36H58N4O16 802.384781 NA MeJP NA NA +MJ094914 N-Deacyltunicamycin; N4''-(11-Methyl-2-dodecenoyl) C36H58N4O16 802.384781 NA MeJP NA NA +PJ039046 LLNEEW C37H54N8O12 802.3861 NA PeJP NA NA +PJ039047 VLQEEW C37H54N8O12 802.3862 NA PeJP NA NA +PJ039048 GSPCQRR C30H54N14O10S 802.3868 NA PeJP NA NA +PJ039049 GGGPTCRR C30H54N14O10S 802.3869 NA PeJP NA NA +PJ039050 CKKMFF C38H58N8O7S2 802.387 NA PeJP NA NA +PJ039051 QQRWW C38H50N12O8 802.3875 NA PeJP NA NA +PJ039052 GPLKEEM C34H58N8O12S 802.3895 NA PeJP NA NA +PJ039053 PVVYYY C42H54N6O10 802.3902 NA PeJP NA NA +PJ039054 PCNKRW C35H54N12O8S 802.3909 NA PeJP NA NA +PJ039055 KHFWW C43H50N10O6 802.3915 NA PeJP NA NA +PJ039056 STTTTHR C31H54N12O13 802.3933 NA PeJP NA NA +PJ039057 VDEERR C31H54N12O13 802.3934 NA PeJP NA NA +PJ039058 TLLMYY C39H58N6O10S 802.3935 NA PeJP NA NA +PJ039059 TKMMHR C32H58N12O8S2 802.3942 NA PeJP NA NA +PJ039060 ALEERW C36H54N10O11 802.3974 NA PeJP NA NA +PJ039061 APHHRW C37H50N14O7 802.3987 NA PeJP NA NA +PJ039062 PPTTTMR C33H58N10O11S 802.4007 NA PeJP NA NA +PJ039063 GPTLEMR C33H58N10O11S 802.4008 NA PeJP NA NA +PJ039064 GLLEWW C41H54N8O9 802.4014 NA PeJP NA NA +PJ039065 GMHFRR C34H54N14O7S 802.4021 NA PeJP NA NA +PJ039066 SQQERR C30H54N14O12 802.4046 NA PeJP NA NA +PJ039067 PLKEMW C38H58N8O9S 802.4048 NA PeJP NA NA +PJ039068 PVFFFF C46H54N6O7 802.4054 NA PeJP NA NA +PJ039069 GVLKEEE C34H58N8O14 802.4073 NA PeJP NA NA +PJ039070 SPPLKMM C35H62N8O9S2 802.4081 NA PeJP NA NA +PJ039071 PPVTKMM C35H62N8O9S2 802.4082 NA PeJP NA NA +PJ039072 GQKERW C35H54N12O10 802.4086 NA PeJP NA NA +PJ039073 VLMFFF C43H58N6O7S 802.4088 NA PeJP NA NA +3983 fragment 264-269 of bovine lactoferrin EDLIWK 802.4099 ACE inhibitor Inhouse_peptide NA peptide +PJ039074 GSPQKMR C32H58N12O10S 802.412 NA PeJP NA NA +PJ039075 GVQKWW C40H54N10O8 802.4126 NA PeJP NA NA +PJ039076 GGGLKWW C40H54N10O8 802.4127 NA PeJP NA NA +MJ094915 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 23-O-(3,4,5-Trihydroxybenzoyl), 28-O-?-D-glucopyranosyl ester C43H62O14 802.413956 NA MeJP NA NA +PJ039077 SNDRRR C29H54N16O11 802.4158 NA PeJP NA NA +PJ039078 PTLMRW C37H58N10O8S 802.416 NA PeJP NA NA +PJ039079 LLWWW C45H54N8O6 802.4167 NA PeJP NA NA +PJ039080 LKEEER C33H58N10O13 802.4185 NA PeJP NA NA +PJ039081 GPVLMMR C34H62N10O8S2 802.4194 NA PeJP NA NA +PJ039082 GTQRRW C34H54N14O9 802.4199 NA PeJP NA NA +2837 oxitocin CYIQNCPLG~ 802.4209 antibacterial Inhouse_peptide NA peptide +PJ039083 VLKEEW C38H58N8O11 802.4225 NA PeJP NA NA +PJ039084 GGAPLLEF C38H58N8O11 802.4226 NA PeJP NA NA +PJ039085 VNQMRR C31H58N14O9S 802.4232 NA PeJP NA NA +PJ039086 QKRWW C39H54N12O7 802.4239 NA PeJP NA NA +PJ039087 SPVLKEM C35H62N8O11S 802.4259 NA PeJP NA NA +PJ039088 VVLFYY C43H58N6O9 802.4266 NA PeJP NA NA +PJ039089 PPMFRR C36H58N12O7S 802.4273 NA PeJP NA NA +PJ039090 AATQKER C32H58N12O12 802.4297 NA PeJP NA NA +PJ039091 TLEERR C32H58N12O12 802.4298 NA PeJP NA NA +PJ039092 PLMMRR C33H62N12O7S2 802.4306 NA PeJP NA NA +PJ039093 PTHHRR C33H54N16O8 802.4311 NA PeJP NA NA +PJ039094 SLLERW C37H58N10O10 802.4338 NA PeJP NA NA +PJ039095 GQMRRR C30H58N16O8S 802.4345 NA PeJP NA NA +MJ094916 Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-cymaropyranoside] C40H66O16 802.435086 NA MeJP NA NA +MJ094917 Pregn-5-ene-3,20-diol, 20-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?2)-3-O-methyl-?-D-fucopyranoside] C40H66O16 802.435086 NA MeJP NA NA +PJ039096 AALLEMR C34H62N10O10S 802.4371 NA PeJP NA NA +PJ039097 GVVLEMR C34H62N10O10S 802.4372 NA PeJP NA NA +PJ039098 SVLLWW C42H58N8O8 802.4378 NA PeJP NA NA +PJ039099 SQKERR C31H58N14O11 802.441 NA PeJP NA NA +PJ039100 LLLQMW C39H62N8O8S 802.4412 NA PeJP NA NA +PJ039101 ATLLKEE C35H62N8O13 802.4437 NA PeJP NA NA +PJ039102 APLLKMM C36H66N8O8S2 802.4445 NA PeJP NA NA +PJ039103 GKKERW C36H58N12O9 802.445 NA PeJP NA NA +PJ039104 GCRRRR C29H58N18O7S 802.4457 NA PeJP NA NA +PJ039105 VLEMRR C33H62N12O9S 802.4484 NA PeJP NA NA +PJ039106 GVKKWW C41H58N10O7 802.449 NA PeJP NA NA +PJ039107 STQRRR C30H58N16O10 802.4522 NA PeJP NA NA +PJ039108 VVLMRW C38H62N10O7S 802.4524 NA PeJP NA NA +PJ039109 ATTLLER C34H62N10O12 802.4549 NA PeJP NA NA +PJ039110 GTKRRW C35H58N14O8 802.4562 NA PeJP NA NA +PJ039111 GALLHHR C35H58N14O8 802.4563 NA PeJP NA NA +2669 synthetic fr, of human beta-CN (123-129) ACE inhibitor NLHLPLP 802.4569 NA Inhouse_peptide NA peptide +PJ039112 GTTLLLW C39H62N8O10 802.4589 NA PeJP NA NA +PJ039113 VNKMRR C32H62N14O8S 802.4596 NA PeJP NA NA +PJ039114 KKRWW C40H58N12O6 802.4603 NA PeJP NA NA +PJ039115 GLLLKEM C36H66N8O10S 802.4623 NA PeJP NA NA +PJ039116 DKKKER C33H62N12O11 802.4661 NA PeJP NA NA +PJ039117 GGGGATKKK C33H62N12O11 802.4662 NA PeJP NA NA +7575 ACE inhibitor from chicken muscle FQKPKR 802.467 antioxidative Inhouse_peptide NA peptide +PJ039118 VVHHRR C34H58N16O7 802.4675 NA PeJP NA NA +37 Myosin FQKPKR 802.47 celiac toxic Inhouse_peptide NA peptide +PJ039119 VDKKKW C38H62N10O9 802.4702 NA PeJP NA NA +PJ039120 GKMRRR C31H62N16O7S 802.4709 NA PeJP NA NA +MJ094918 20,24-Epoxydammarane-3,6,12,25,26-pentol, 6-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] C41H70O15 802.471471 NA MeJP NA NA +MJ094919 Dammar-23-ene-2,3,12,20,25-pentol, 25-Hydroperoxide, 20-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C41H70O15 802.471471 NA MeJP NA NA +MJ094920 Ergost-22-ene-3,6,8,15,16,28-hexol, 28-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-D-galactofuranoside] C41H70O15 802.471471 NA MeJP NA NA +PJ039121 GTLLLMR C35H66N10O9S 802.4735 NA PeJP NA NA +PJ039122 PLLKFW C43H62N8O7 802.4742 NA PeJP NA NA +PJ039123 SKKERR C32H62N14O10 802.4774 NA PeJP NA NA +PJ039124 LLLKMW C40H66N8O7S 802.4775 NA PeJP NA NA +PJ039125 STLLLKE C36H66N8O12 802.48 NA PeJP NA NA +PJ039126 GSSTLLLL C36H66N8O12 802.4801 NA PeJP NA NA +PJ039127 SVKKRW C37H62N12O8 802.4814 NA PeJP NA NA +PJ039128 LQKKMR C34H66N12O8S 802.4848 NA PeJP NA NA +PJ039129 STKRRR C31H62N16O9 802.4886 NA PeJP NA NA +PJ039130 STTLLLR C35H66N10O11 802.4913 NA PeJP NA NA +PJ039131 LLKHHR C36H62N14O7 802.4926 NA PeJP NA NA +PJ039132 GPLLLKY C40H66N8O9 802.4953 NA PeJP NA NA +PJ039133 CLKKRR C33H66N14O7S 802.496 NA PeJP NA NA +PJ039134 SVLLLKM C37H70N8O9S 802.4987 NA PeJP NA NA +PJ039135 GTTLKKR C34H66N12O10 802.5025 NA PeJP NA NA +PJ039136 TLKKKW C39H66N10O8 802.5065 NA PeJP NA NA +PJ039137 GVLKKKM C36H70N10O8S 802.5099 NA PeJP NA NA +PJ039138 VLLFRR C38H66N12O7 802.5178 NA PeJP NA NA +PJ039139 LKKKMR C35H70N12O7S 802.5211 NA PeJP NA NA +PJ039140 SSLLKKK C36H70N10O10 802.5277 NA PeJP NA NA +PJ039141 GLLLLKF C41H70N8O8 802.5317 NA PeJP NA NA +PJ039142 GSKKKKK C35H70N12O9 802.5389 NA PeJP NA NA +MJ094921 2-Polyprenyl-1,4-benzenediol; 2-Nonaprenyl-1,4-benzenediol, 1-Sulfate C51H78O5S 802.556996 NA MeJP NA NA +MJ094922 34-Ethylhuratoxin; 5-Deoxy, 6,7-deepoxy, 6,7,26,27-tetrahydro, 20-pentadecanoyl C51H78O7 802.574754 NA MeJP NA NA +EUR1097 SM(d18:1/20:1) [M+FA-H]- C43H85N2O6P 802.619406 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1097 SM(d18:1/20:1) [M+FA-H]- C43H85N2O6P 802.619406 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1097 SM(d18:1/20:1) [M+FA-H]- C43H85N2O6P 802.619406 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1097 SM(d18:1/20:1) [M+FA-H]- C43H85N2O6P 802.619406 masses lipides attendues Inhousejuil11 NA NA +HMDB12093 SM(d18:0/23:0) C46H95N2O6P 802.692749 NA HMDB2010 NA NA +HMDB05376 TG(16:0/16:1(9Z)/16:1(9Z))[iso3] C51H94O6 802.705017 NA HMDB2010 NA NA +HMDB10415 TG(16:0/14:0/18:2(9Z,12Z))[iso6] C51H94O6 802.705017 NA HMDB2010 NA NA +HMDB10420 TG(16:1(9Z)/14:0/18:1(11Z))[iso6] C51H94O6 802.705017 NA HMDB2010 NA NA +HMDB10421 TG(16:1(9Z)/14:0/18:1(9Z))[iso6] C51H94O6 802.705017 NA HMDB2010 NA NA +HMDB05376 TG(16:0/16:1(9Z)/16:1(9Z))[iso3] C51H94O6 802.70502 http://www.hmdb.ca/metabolites/HMDB05376 HMDB NA NA +HMDB05376 TG(16:0/16:1(9Z)/16:1(9Z))[iso3] C51H94O6 802.70502 HMDB05376 PFEM_hmdb_metabocards_official NA NA +MJ094923 Solamin; 15-Hexadecanoyl C51H94O6 802.70504 NA MeJP NA NA +PJ039143 CCCDDDM C26H41N7O14S4 803.1595 NA PeJP NA NA +PJ039144 GSCCCCND C25H41N9O13S4 803.1707 NA PeJP NA NA +PJ039145 CCCCNQM C26H45N9O10S5 803.1893 NA PeJP NA NA +PJ039146 SCCDDMM C27H45N7O13S4 803.1958 NA PeJP NA NA +PJ039147 TCCCDEM C27H45N7O13S4 803.1959 NA PeJP NA NA +PJ039148 CCCCCNR C25H45N11O9S5 803.2006 NA PeJP NA NA +PJ039149 GSSCCCNM C26H45N9O12S4 803.2071 NA PeJP NA NA +PJ039150 GCCDDEY C30H41N7O15S2 803.2102 NA PeJP NA NA +PJ039151 PCCCCEF C31H45N7O10S4 803.2111 NA PeJP NA NA +PJ039152 GCCEMMM C28H49N7O10S5 803.2145 NA PeJP NA NA +PJ039153 SCCCDHH C28H41N11O11S3 803.2149 NA PeJP NA NA +PJ039154 PCCDDDH C29H41N9O14S2 803.2215 NA PeJP NA NA +FL7AAHGL0006 Petunidin 3-gentiotrioside C34H43O22 803.22459 - knapsack NA NA +PJ039155 SSSSCCCQ C26H45N9O14S3 803.2248 NA PeJP NA NA +PJ039156 CCDDYW C34H41N7O12S2 803.2255 NA PeJP NA NA +PJ039157 CCCCNKM C27H49N9O9S5 803.2257 NA PeJP NA NA +PJ039158 SSCDDDY C30H41N7O17S 803.228 NA PeJP NA NA +PJ039159 SPCCCEY C31H45N7O12S3 803.2289 NA PeJP NA NA +PJ039160 CCMMMW C32H49N7O7S5 803.2297 NA PeJP NA NA +PJ039161 SSCDMMM C28H49N7O12S4 803.2322 NA PeJP NA NA +PJ039162 ACCCMHH C29H45N11O8S4 803.2336 NA PeJP NA NA +PJ039163 GDDDDMH C29H41N9O16S 803.2392 NA PeJP NA NA +PJ039164 GCCNNMY C30H45N9O11S3 803.2401 NA PeJP NA NA +PJ039165 GSSSSSSCC C26H45N9O16S2 803.2426 NA PeJP NA NA +PJ039166 GSTCCCCK C27H49N9O11S4 803.2435 NA PeJP NA NA +PJ039167 CCDMFW C35H45N7O9S3 803.2441 NA PeJP NA NA +PJ039168 GSCDEMY C31H45N7O14S2 803.2466 NA PeJP NA NA +PJ039169 GPCCMMY C32H49N7O9S4 803.2475 NA PeJP NA NA +MJ094924 5,10-Methenyltetrahydromethanopterin C31H44N6O17P 803.250055 NA MeJP NA NA +MetaCyc04149 5-formyl-tetrahydromethanopterin [N5-formyl-5,6,7,8-tetrahydromethanopterin;5-formyl-5,6,7,8-tetrahydromethanopterin;5-formyl-H4MPT;formyl-H4MPT;5-formyl-THMPT;] C31H44N6O17P1 803.250056 NA metacyc NA NA +PJ039170 SCNNDDH C28H41N11O15S 803.2505 NA PeJP NA NA +PJ039171 GTCMMMM C29H53N7O9S5 803.2509 NA PeJP NA NA +PJ039172 SSCCMHH C29H45N11O10S3 803.2513 NA PeJP NA NA +PJ039173 GGGAPCCCH C29H45N11O10S3 803.2514 NA PeJP NA NA +PJ039174 CDDEHW C33H41N9O13S 803.2545 NA PeJP NA NA +PJ039175 SSDDDEH C29H41N9O18 803.257 NA PeJP NA NA +PJ039176 SSCCNQY C30H45N9O13S2 803.2578 NA PeJP NA NA +PJ039177 GGSSCCQY C30H45N9O13S2 803.2579 NA PeJP NA NA +PJ039178 NDDDYY C34H41N7O16 803.261 NA PeJP NA NA +PJ039179 SSSSCCCK C27H49N9O13S3 803.2612 NA PeJP NA NA +PJ039180 SCDMYW C35H45N7O11S2 803.2619 NA PeJP NA NA +PJ039181 SSSDDMY C31H45N7O16S 803.2644 NA PeJP NA NA +PJ039182 NDMMMY C32H49N7O11S3 803.2652 NA PeJP NA NA +PJ039183 GGDMMMY C32H49N7O11S3 803.2653 NA PeJP NA NA +PJ039184 SSSMMMM C29H53N7O11S4 803.2686 NA PeJP NA NA +PJ039185 GCNNEMH C29H45N11O12S2 803.2691 NA PeJP NA NA +MJ094925 Coomassie brilliant blue R C45H45N3O7S2 803.269892 NA MeJP NA NA +PJ039186 GCCNNFF C34H45N9O10S2 803.2731 NA PeJP NA NA +PJ039187 GSSSSCNY C30H45N9O15S 803.2756 NA PeJP NA NA +PJ039188 CCEMRY C31H49N9O10S3 803.2765 NA PeJP NA NA +PJ039189 GSPCDYY C35H45N7O13S 803.2796 NA PeJP NA NA +PJ039190 GCCNDHR C28H45N13O11S2 803.2803 NA PeJP NA NA +PJ039191 ACMMYW C36H49N7O8S3 803.2805 NA PeJP NA NA +PJ039192 APDDEEE C31H45N7O18 803.2821 NA PeJP NA NA +PJ039193 GPDEEEE C31H45N7O18 803.2822 NA PeJP NA NA +PJ039194 GSSEMMY C32H49N7O13S2 803.283 NA PeJP NA NA +PJ039195 NMMMMF C33H53N7O8S4 803.2839 NA PeJP NA NA +PJ039196 CNNMHW C33H45N11O9S2 803.2843 NA PeJP NA NA +PJ039197 GGCNMHW C33H45N11O9S2 803.2844 NA PeJP NA NA +PJ039198 SSNNDMH C29H45N11O14S 803.2868 NA PeJP NA NA +PJ039199 GGSSNDMH C29H45N11O14S 803.2869 NA PeJP NA NA +PJ039200 PCCCNKH C30H49N11O9S3 803.2877 NA PeJP NA NA +PJ039201 SDEMHW C34H45N9O12S 803.2909 NA PeJP NA NA +PJ039202 PCMMHW C35H49N9O7S3 803.2917 NA PeJP NA NA +PJ039203 SSSEEEH C30H45N9O17 803.2934 NA PeJP NA NA +PJ039204 SSCCNKY C31H49N9O12S2 803.2942 NA PeJP NA NA +PJ039205 GAEEMMH C31H49N9O12S2 803.2943 NA PeJP NA NA +PJ039206 GSDDHHH C31H41N13O13 803.2947 NA PeJP NA NA +PJ039207 GCEFYW C39H45N7O10S 803.2949 NA PeJP NA NA +PJ039208 APCCHHH C32H45N13O8S2 803.2956 NA PeJP NA NA +PJ039209 PDEEEW C35H45N7O15 803.2974 NA PeJP NA NA +PJ039210 SSMMYW C36H49N7O10S2 803.2982 NA PeJP NA NA +PJ039211 TTCMYW C36H49N7O10S2 803.2983 NA PeJP NA NA +PJ039212 SSSTEMY C32H49N7O15S 803.3007 NA PeJP NA NA +PJ039213 TTTTCDY C32H49N7O15S 803.3008 NA PeJP NA NA +PJ039214 TQMMMY C33H53N7O10S3 803.3016 NA PeJP NA NA +PJ039215 GSSCQHW C33H45N11O11S 803.3021 NA PeJP NA NA +PJ039216 GSSSSNEH C29H45N11O16 803.3046 NA PeJP NA NA +PJ039217 DDMMHR C30H49N11O11S2 803.3055 NA PeJP NA NA +MJ094926 Latosillan C32H53NO22 803.305922 NA MeJP NA NA +PJ039218 PCDHFW C38H45N9O9S 803.3061 NA PeJP NA NA +PJ039219 GSPNDEW C34H45N9O14 803.3086 NA PeJP NA NA +PJ039220 AEMMHW C35H49N9O9S2 803.3095 NA PeJP NA NA +PJ039221 CFYWW C43H45N7O7S 803.3101 NA PeJP NA NA +PJ039222 GTTEEMH C31H49N9O14S 803.312 NA PeJP NA NA +PJ039223 GSEYYW C39H45N7O12 803.3126 NA PeJP NA NA +PJ039224 NDDFFF C39H45N7O12 803.3127 NA PeJP NA NA +PJ039225 TCMMRY C32H53N9O9S3 803.3129 NA PeJP NA NA +PJ039226 NEMHHH C32H45N13O10S 803.3133 NA PeJP NA NA +PJ039227 GGEMHHH C32H45N13O10S 803.3134 NA PeJP NA NA +PJ039228 ACMFFW C40H49N7O7S2 803.3135 NA PeJP NA NA +PJ039229 GNNNDDR C28H45N13O15 803.3158 NA PeJP NA NA +PJ039230 GGGNNDDR C28H45N13O15 803.3159 NA PeJP NA NA +PJ039231 AQEMYY C36H49N7O12S 803.316 NA PeJP NA NA +PJ039232 GSCNMHR C29H49N13O10S2 803.3167 NA PeJP NA NA +PJ039233 CNHHFF C37H45N11O8S 803.3174 NA PeJP NA NA +PJ039234 APTEEEE C32H49N7O17 803.3185 NA PeJP NA NA +PJ039235 GTTTMMY C33H53N7O12S2 803.3194 NA PeJP NA NA +PJ039236 SSSSNHW C33H45N11O13 803.3198 NA PeJP NA NA +PJ039237 GGSSSSHW C33H45N11O13 803.3199 NA PeJP NA NA +PJ039238 CCQKHW C34H49N11O8S2 803.3207 NA PeJP NA NA +PJ039239 GPNDDMR C30H49N11O13S 803.3232 NA PeJP NA NA +PJ039240 GGGPDDMR C30H49N11O13S 803.3233 NA PeJP NA NA +MJ094927 Pacidamycin 4 C38H45N9O11 803.323853 NA MeJP NA NA +PJ039241 SPNDWW C38H45N9O11 803.3239 NA PeJP NA NA +PJ039242 CDHHHR C31H45N15O9S 803.3246 NA PeJP NA NA +PJ039243 SSPPCQW C35H49N9O11S 803.3272 NA PeJP NA NA +PJ039244 TTEMHW C35H49N9O11S 803.3273 NA PeJP NA NA +PJ039245 SYYWW C43H45N7O9 803.3279 NA PeJP NA NA +PJ039246 GMHHHW C36H45N13O7S 803.3286 NA PeJP NA NA +PJ039247 STTTEEH C31H49N9O16 803.3297 NA PeJP NA NA +PJ039248 TTTTDEH C31H49N9O16 803.3298 NA PeJP NA NA +PJ039249 KEEMMH C32H53N9O11S2 803.3306 NA PeJP NA NA +PJ039250 GSTEHHH C32H45N13O12 803.3311 NA PeJP NA NA +PJ039251 AAMYYW C40H49N7O9S 803.3313 NA PeJP NA NA +PJ039252 SDKEYY C36H49N7O14 803.3338 NA PeJP NA NA +PJ039253 SSSCQHR C29H49N13O12S 803.3345 NA PeJP NA NA +PJ039254 PCKMYY C37H53N7O9S2 803.3346 NA PeJP NA NA +PJ039255 GGVMMFY C37H53N7O9S2 803.3347 NA PeJP NA NA +PJ039256 GNNQWW C37H45N11O10 803.3351 NA PeJP NA NA +2876 opioid fragment of dermorphin YAFGYPS 803.336 antibacterial Inhouse_peptide NA peptide +MJ094928 ?-Rhodomycinone; 10-Epimer, 7-O-[2,6-dideoxy-?-L-lyxo-hexopyranosyl-(1?4)-2,6-dideoxy-?-L-lyxo-hexopyranosyl-(1?4)-3-(dimethylamino)-2,3,6-trideoxy-?-L-lyxo-hexopyranoside] C40H53NO16 803.336434 NA MeJP NA NA +PJ039257 STTTTMY C33H53N7O14S 803.3371 NA PeJP NA NA +PJ039258 GPLEEEM C33H53N7O14S 803.3372 NA PeJP NA NA +PJ039259 TKMMMY C34H57N7O9S3 803.338 NA PeJP NA NA +PJ039260 PCNERW C34H49N11O10S 803.3385 NA PeJP NA NA +PJ039261 EHFWW C42H45N9O8 803.3391 NA PeJP NA NA +PJ039262 NQEEER C30H49N11O15 803.341 NA PeJP NA NA +PJ039263 TEMMHR C31H53N11O10S2 803.3419 NA PeJP NA NA +PJ039264 GPQMWW C39H49N9O8S 803.3425 NA PeJP NA NA +PJ039265 VNQEEW C35H49N9O13 803.345 NA PeJP NA NA +PJ039266 SLMMHW C36H53N9O8S2 803.3459 NA PeJP NA NA +PJ039267 STHHHW C36H45N13O9 803.3463 NA PeJP NA NA +PJ039268 PNNHHW C36H45N13O9 803.3464 NA PeJP NA NA +PJ039269 SSTLEMH C32H53N9O13S 803.3484 NA PeJP NA NA +PJ039270 ATTYYW C40H49N7O11 803.349 NA PeJP NA NA +PJ039271 AALMMMH C33H57N9O8S3 803.3493 NA PeJP NA NA +PJ039272 CNQHFR C33H49N13O9S 803.3497 NA PeJP NA NA +MJ094929 Taxol?; 7-Epimer, 10-de-Ac, 10-ketone, N-debenzoyl, N-hexanoyl C44H53NO13 803.35169 NA MeJP NA NA +PJ039273 NDDERR C29H49N13O14 803.3522 NA PeJP NA NA +PJ039274 GGGGGGGTER C29H49N13O14 803.3523 NA PeJP NA NA +PJ039275 PLEEMW C37H53N7O11S 803.3524 NA PeJP NA NA +PJ039276 GTCCKHR C30H53N13O9S2 803.3531 NA PeJP NA NA +PJ039277 GPCRWW C38H49N11O7S 803.3538 NA PeJP NA NA +PJ039278 GVLEEEE C33H53N7O16 803.3549 NA PeJP NA NA +PJ039279 SPPLEMM C34H57N7O11S2 803.3558 NA PeJP NA NA +PJ039280 ANEERW C34H49N11O12 803.3562 NA PeJP NA NA +PJ039281 GQEERW C34H49N11O12 803.3563 NA PeJP NA NA +PJ039282 CCKKHW C35H53N11O7S2 803.3571 NA PeJP NA NA +PJ039283 GSPQEMR C31H53N11O12S 803.3596 NA PeJP NA NA +PJ039284 GGGGGGGAALM C31H53N11O12S 803.3597 NA PeJP NA NA +PJ039285 GVQEWW C39H49N9O10 803.3603 NA PeJP NA NA +PJ039286 VMMMHR C32H57N11O7S3 803.3605 NA PeJP NA NA +PJ039287 SMHHHR C32H49N15O8S 803.361 NA PeJP NA NA +PJ039288 PNKEMW C36H53N9O10S 803.3636 NA PeJP NA NA +PJ039289 GGGSPLMW C36H53N9O10S 803.3637 NA PeJP NA NA +PJ039290 AAFFYW C44H49N7O8 803.3643 NA PeJP NA NA +PJ039291 LEEEER C32H53N9O15 803.3661 NA PeJP NA NA +PJ039292 GGGVKEEE C32H53N9O15 803.3662 NA PeJP NA NA +PJ039293 ATTLMMH C33H57N9O10S2 803.367 NA PeJP NA NA +PJ039294 GDDRRW C33H49N13O11 803.3675 NA PeJP NA NA +PJ039295 PCKFFY C41H53N7O8S 803.3677 NA PeJP NA NA +PJ039296 ASSTLYY C37H53N7O13 803.3701 NA PeJP NA NA +MJ094930 Formestin A; 1'''-Deoxy, 1',3''-lactone C37H53N7O13 803.370134 NA MeJP NA NA +MJ094931 Formestin A; 1'''-Deoxy, 2''',3''-lactone C37H53N7O13 803.370134 NA MeJP NA NA +PJ039297 VLEEEW C37H53N7O13 803.3702 NA PeJP NA NA +PJ039298 SSSCKHR C30H53N13O11S 803.3708 NA PeJP NA NA +PJ039299 GSPCERR C30H53N13O11S 803.3709 NA PeJP NA NA +PJ039300 CLKMFY C38H57N7O8S2 803.371 NA PeJP NA NA +PJ039301 QERWW C38H49N11O9 803.3715 NA PeJP NA NA +PJ039302 SPVLEEM C34H57N7O13S 803.3735 NA PeJP NA NA +PJ039303 PPVVMMM C35H61N7O8S3 803.3744 NA PeJP NA NA +PJ039304 SPQMRW C35H53N11O9S 803.3749 NA PeJP NA NA +PJ039305 VQWWW C43H49N9O7 803.3755 NA PeJP NA NA +PJ039306 NKEEER C31H53N11O14 803.3774 NA PeJP NA NA +PJ039307 AAPQMMR C32H57N11O9S2 803.3782 NA PeJP NA NA +PJ039308 GPVNMMR C32H57N11O9S2 803.3783 NA PeJP NA NA +PJ039309 GSPNHHR C32H49N15O10 803.3787 NA PeJP NA NA +PJ039310 GPKMWW C40H53N9O7S 803.3789 NA PeJP NA NA +PJ039311 VNKEEW C36H53N9O12 803.3814 NA PeJP NA NA +PJ039312 NNNMRR C29H53N15O10S 803.3821 NA PeJP NA NA +PJ039313 VQHHHF C37H49N13O8 803.3827 NA PeJP NA NA +PJ039314 GGLHHHF C37H49N13O8 803.3828 NA PeJP NA NA +PJ039315 TTTTLMH C33H57N9O12S 803.3848 NA PeJP NA NA +PJ039316 PPLEYW C41H53N7O10 803.3854 NA PeJP NA NA +PJ039317 SPCRRW C34H53N13O8S 803.3861 NA PeJP NA NA +PJ039318 ARWWW C42H49N11O6 803.3868 NA PeJP NA NA +PJ039319 SQEERR C30H53N13O13 803.3886 NA PeJP NA NA +PJ039320 SLKMYY C38H57N7O10S 803.3888 NA PeJP NA NA +PJ039321 PNMMRR C31H57N13O8S2 803.3895 NA PeJP NA NA +PJ039322 ATLLEEE C34H57N7O15 803.3913 NA PeJP NA NA +PJ039323 APLLEMM C35H61N7O10S2 803.3922 NA PeJP NA NA +PJ039324 GKEERW C35H53N11O11 803.3926 NA PeJP NA NA +PJ039325 GGGGDKKW C35H53N11O11 803.3927 NA PeJP NA NA +PJ039326 AHHHFR C36H49N15O7 803.394 NA PeJP NA NA +PJ039327 GSPKEMR C32H57N11O11S 803.396 NA PeJP NA NA +PJ039328 SPTKWW C40H53N9O9 803.3966 NA PeJP NA NA +PJ039329 GVKEWW C40H53N9O9 803.3967 NA PeJP NA NA +PJ039330 GSSNQRR C29H53N15O12 803.3998 NA PeJP NA NA +PJ039331 SDDRRR C29H53N15O12 803.3999 NA PeJP NA NA +PJ039332 PDKKMW C37H57N9O9S 803.4 NA PeJP NA NA +PJ039333 AAKKEEE C33H57N9O14 803.4025 NA PeJP NA NA +PJ039334 GPLQKMM C34H61N9O9S2 803.4034 NA PeJP NA NA +PJ039335 GTERRW C34H53N13O10 803.4039 NA PeJP NA NA +PJ039336 CLKFFF C42H57N7O7S 803.4041 NA PeJP NA NA +PJ039337 SPPVLEY C38H57N7O12 803.4065 NA PeJP NA NA +PJ039338 GPLLEEF C38H57N7O12 803.4066 NA PeJP NA NA +PJ039339 VNEMRR C31H57N13O10S 803.4072 NA PeJP NA NA +PJ039340 GGVEMRR C31H57N13O10S 803.4073 NA PeJP NA NA +PJ039341 KERWW C39H53N11O8 803.4079 NA PeJP NA NA +3691 NA VTKFYF 803.408 ACE inhibitor Inhouse_peptide NA peptide +PJ039342 GLLLEEM C35H61N7O12S 803.4099 NA PeJP NA NA +PJ039343 SPKMRW C36H57N11O8S 803.4113 NA PeJP NA NA +PJ039344 VKWWW C44H53N9O6 803.4119 NA PeJP NA NA +PJ039345 PTTTTQR C32H57N11O13 803.4137 NA PeJP NA NA +PJ039346 DKKEER C32H57N11O13 803.4138 NA PeJP NA NA +PJ039347 AAPKMMR C33H61N11O8S2 803.4146 NA PeJP NA NA +PJ039348 VQQHHR C33H53N15O9 803.4151 NA PeJP NA NA +PJ039349 VDKKEW C37H57N9O11 803.4178 NA PeJP NA NA +PJ039350 GEMRRR C30H57N15O9S 803.4185 NA PeJP NA NA +PJ039351 TRRWW C38H53N13O7 803.4191 NA PeJP NA NA +PJ039352 SPTLQKM C34H61N9O11S 803.4211 NA PeJP NA NA +PJ039353 APTKKEM C34H61N9O11S 803.4212 NA PeJP NA NA +MJ094932 Heptamycin B C42H57N7O9 803.421776 NA MeJP NA NA +PJ039354 PLLEFW C42H57N7O9 803.4218 NA PeJP NA NA +PJ039355 GVMRRW C35H57N13O7S 803.4225 NA PeJP NA NA +PJ039356 SKEERR C31H57N13O12 803.425 NA PeJP NA NA +8264 f(162-169) of bovine kappa casein VQVTSTAV 803.425 NA ;SYN:3,3',5-Triiodo-L-thyronine; 3,3',5-Triiodothyronine; 3,5,3'-Triiodothyronine; 3,3',5'-triiodothyronine; 4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine; Cyronine; L-3,3',5-Triiodothyronine; L-3,3',5-triiodo-Thyronine; L-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-Alanine; L-Liothyronine; L-T3; L-Triiodothyronine; Liothyronin; Liothyronine; O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-Tyrosine; T3; Tresitope; Triiodo-L-thyronine; Triiodothyronine; 3,3',5'-triiodo-L-thyronineH2Blood; Saliva; Urine Inhouse_peptide NA peptide +PJ039357 LLLEMW C39H61N7O9S 803.4252 NA PeJP NA NA +PJ039358 AQHHRR C32H53N17O8 803.4263 NA PeJP NA NA +PJ039359 GAAHHRR C32H53N17O8 803.4264 NA PeJP NA NA +PJ039360 STLLLEE C35H61N7O14 803.4277 NA PeJP NA NA +PJ039361 SPLLLMM C36H65N7O9S2 803.4285 NA PeJP NA NA +PJ039362 PVTLLMM C36H65N7O9S2 803.4286 NA PeJP NA NA +PJ039363 SVKERW C36H57N11O10 803.429 NA PeJP NA NA +PJ039364 LQKEMR C33H61N11O10S 803.4324 NA PeJP NA NA +PJ039365 ATLKWW C41H57N9O8 803.433 NA PeJP NA NA +PJ039366 GALLHFF C41H57N9O8 803.4331 NA PeJP NA NA +PJ039367 MRRRW C34H57N15O6S 803.4337 NA PeJP NA NA +PJ039368 STERRR C30H57N15O11 803.4362 NA PeJP NA NA +PJ039369 VLQKMW C38H61N9O8S 803.4364 NA PeJP NA NA +PJ039370 GTLKKEE C34H61N9O13 803.4389 NA PeJP NA NA +PJ039371 GPLKKMM C35H65N9O8S2 803.4398 NA PeJP NA NA +PJ039372 SSLRRW C35H57N13O9 803.4403 NA PeJP NA NA +PJ039373 GPLLLEY C39H61N7O11 803.4429 NA PeJP NA NA +PJ039374 VDKMRR C32H61N13O9S 803.4436 NA PeJP NA NA +PJ039375 APKFRW C40H57N11O7 803.4443 NA PeJP NA NA +PJ039376 SVLLLEM C36H65N7O11S 803.4463 NA PeJP NA NA +PJ039377 ALKMRW C37H61N11O7S 803.4476 NA PeJP NA NA +PJ039378 VCLKRW C37H61N11O7S 803.4477 NA PeJP NA NA +PJ039379 GTTLKER C33H61N11O12 803.4501 NA PeJP NA NA +PJ039380 GGSTTLLR C33H61N11O12 803.4502 NA PeJP NA NA +PJ039381 GPRRRY C34H57N15O8 803.4515 NA PeJP NA NA +PJ039382 TLKKEW C38H61N9O10 803.4542 NA PeJP NA NA +PJ039383 SVMRRR C31H61N15O8S 803.4549 NA PeJP NA NA +PJ039384 GVLKKEM C35H65N9O10S 803.4575 NA PeJP NA NA +PJ039385 AVVKKEM C35H65N9O10S 803.4576 NA PeJP NA NA +PJ039386 PLLLYW C43H61N7O8 803.4582 NA PeJP NA NA +PJ039387 GTTTLRR C32H61N13O11 803.4614 NA PeJP NA NA +PJ039388 APLLLMF C40H65N7O8S 803.4616 NA PeJP NA NA +PJ039389 AKHHRR C33H57N17O7 803.4627 NA PeJP NA NA +PJ039390 ALLLLMM C37H69N7O8S2 803.4649 NA PeJP NA NA +PJ039391 TTLKRW C37H61N11O9 803.4654 NA PeJP NA NA +PJ039392 LKKEMR C34H65N11O9S 803.4688 NA PeJP NA NA +PJ039393 PVKKFW C42H61N9O7 803.4694 NA PeJP NA NA +PJ039394 VLKKMW C39H65N9O7S 803.4728 NA PeJP NA NA +PJ039395 SSLLKKE C35H65N9O12 803.4753 NA PeJP NA NA +PJ039396 PTKFRR C36H61N13O8 803.4766 NA PeJP NA NA +PJ039397 GGVLFRR C36H61N13O8 803.4767 NA PeJP NA NA +PJ039398 SPVLLLY C40H65N7O10 803.4793 NA PeJP NA NA +PJ039399 TLKMRR C33H65N13O8S 803.48 NA PeJP NA NA +MJ094933 Antibiotic FK 506 isomer C44H69NO12 803.481976 NA MeJP NA NA +MJ094934 Fujimycin C44H69NO12 803.481976 NA MeJP NA NA +MJ094935 Monensin; Monensin B, 26-O-[(2-Phenylethyl)carbamoyl] C44H69NO12 803.481976 NA MeJP NA NA +C01375 Tacrolimus C44H69NO12 803.482 NA KEGG NA NA +PJ039400 TTLLLLM C37H69N7O10S 803.4827 NA PeJP NA NA +PJ039401 SSTLLKR C34H65N11O11 803.4865 NA PeJP NA NA +PJ039402 GLFRRR C35H61N15O7 803.4879 NA PeJP NA NA +PJ039403 GPVLKKY C39H65N9O9 803.4906 NA PeJP NA NA +PJ039404 ATLLKKM C36H69N9O9S 803.4939 NA PeJP NA NA +PJ039405 LLLLFW C44H65N7O7 803.4946 NA PeJP NA NA +PJ039406 GSTKKKR C33H65N13O10 803.4978 NA PeJP NA NA +PJ039407 SKKKKW C38H65N11O8 803.5018 NA PeJP NA NA +PJ039408 AAKKKKM C35H69N11O8S 803.5052 NA PeJP NA NA +PJ039409 TTTLLKK C36H69N9O11 803.5117 NA PeJP NA NA +PJ039410 VVKFRR C37H65N13O7 803.513 NA PeJP NA NA +PJ039411 GLLLLLY C41H69N7O9 803.5157 NA PeJP NA NA +PJ039412 ATTKKKK C35H69N11O10 803.5229 NA PeJP NA NA +PJ039413 GVLLKKF C40H69N9O8 803.5269 NA PeJP NA NA +PJ039414 LLKKFR C39H69N11O7 803.5382 NA PeJP NA NA +EUR690 PC(36:4) [M+Na]+ C44H80NO8P 803.544103 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR975 PC 36:4 [M+Na]+ C44H80NO8P 803.544103 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR690 PC(36:4) [M+Na]+ C44H80NO8P 803.544103 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR975 PC 36:4 [M+Na]+ C44H80NO8P 803.544103 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR690 PC(36:4) [M+Na]+ C44H80NO8P 803.544103 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR975 PC 36:4 [M+Na]+ C44H80NO8P 803.544103 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR690 PC(36:4) [M+Na]+ C44H80NO8P 803.544103 masses lipides attendues Inhousejuil11 NA NA +EUR975 PC 36:4 [M+Na]+ C44H80NO8P 803.544103 masses lipides attendues Inhousejuil11 NA NA +EUR1009 PC 38:7 monoisotopic mass C46H78NO8P 803.546507 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1009 PC 38:7 monoisotopic mass C46H78NO8P 803.546507 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1009 PC 38:7 monoisotopic mass C46H78NO8P 803.546507 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1009 PC 38:7 monoisotopic mass C46H78NO8P 803.546507 masses lipides attendues Inhousejuil11 NA NA +HMDB08023 PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H78NO8P 803.546509 NA HMDB2010 NA NA +HMDB08149 PC(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C46H78NO8P 803.546509 NA HMDB2010 NA NA +HMDB08180 PC(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) C46H78NO8P 803.546509 NA HMDB2010 NA NA +HMDB08181 PC(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) C46H78NO8P 803.546509 NA HMDB2010 NA NA +HMDB08213 PC(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) C46H78NO8P 803.546509 NA HMDB2010 NA NA +HMDB08214 PC(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) C46H78NO8P 803.546509 NA HMDB2010 NA NA +HMDB08244 PC(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)) C46H78NO8P 803.546509 NA HMDB2010 NA NA +HMDB08245 PC(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) C46H78NO8P 803.546509 NA HMDB2010 NA NA +HMDB08372 PC(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)) C46H78NO8P 803.546509 NA HMDB2010 NA NA +HMDB08405 PC(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) C46H78NO8P 803.546509 NA HMDB2010 NA NA +HMDB08435 PC(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)) C46H78NO8P 803.546509 NA HMDB2010 NA NA +HMDB08436 PC(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) C46H78NO8P 803.546509 NA HMDB2010 NA NA +HMDB08468 PC(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)) C46H78NO8P 803.546509 NA HMDB2010 NA NA +HMDB08469 PC(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) C46H78NO8P 803.546509 NA HMDB2010 NA NA +HMDB08500 PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)) C46H78NO8P 803.546509 NA HMDB2010 NA NA +HMDB08726 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) C46H78NO8P 803.546509 NA HMDB2010 NA NA +EUR697 PC(34:2) [M+FA-H]- C42H80NO8P 803.567037 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR947 PC 34:2 [M+FA-H]- C42H80NO8P 803.567037 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR697 PC(34:2) [M+FA-H]- C42H80NO8P 803.567037 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR947 PC 34:2 [M+FA-H]- C42H80NO8P 803.567037 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR697 PC(34:2) [M+FA-H]- C42H80NO8P 803.567037 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR947 PC 34:2 [M+FA-H]- C42H80NO8P 803.567037 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR697 PC(34:2) [M+FA-H]- C42H80NO8P 803.567037 masses lipides attendues Inhousejuil11 NA NA +EUR947 PC 34:2 [M+FA-H]- C42H80NO8P 803.567037 masses lipides attendues Inhousejuil11 NA NA +HMDB05337 GPEtn(20:0/20:0)[U] C45H90NO8P 803.64038 http://www.hmdb.ca/metabolites/HMDB05337 HMDB NA NA +HMDB05337 GPEtn(20:0/20:0)[U] C45H90NO8P 803.64038 HMDB05337 PFEM_hmdb_metabocards_official NA NA +HMDB07953 PC(15:0/22:0) C45H90NO8P 803.640381 NA HMDB2010 NA NA +HMDB08527 PC(22:0/15:0) C45H90NO8P 803.640381 NA HMDB2010 NA NA +HMDB08947 PE(16:0/24:0) C45H90NO8P 803.640381 NA HMDB2010 NA NA +HMDB09006 PE(18:0/22:0) C45H90NO8P 803.640381 NA HMDB2010 NA NA +HMDB09229 PE(20:0/20:0) C45H90NO8P 803.640381 NA HMDB2010 NA NA +HMDB09486 PE(22:0/18:0) C45H90NO8P 803.640381 NA HMDB2010 NA NA +HMDB09715 PE(24:0/16:0) C45H90NO8P 803.640381 NA HMDB2010 NA NA +MJ094936 2-Amino-15-methyl-1,3,4-hexadecanetriol, N-(2R-Hydroxydocosanoyl), 1-O-?-D-galactopyranoside C45H89NO10 803.648648 NA MeJP NA NA +MJ094937 2-Amino-15-methyl-1,3,4-hexadecanetriol, N-(2R-Hydroxydocosanoyl), 1-O-?-D-glucopyranoside C45H89NO10 803.648648 NA MeJP NA NA +HMDB13408 PC(o-16:0/22:0) C46H94NO7P 803.676819 NA HMDB2010 NA NA +HMDB13419 PC(o-18:0/20:0) C46H94NO7P 803.676819 NA HMDB2010 NA NA +MJ094938 Solasulfone C30H32N2O14S5 804.045707 NA MeJP NA NA +MJ094939 Leptosin A C32H32N6O7S6 804.065671 NA MeJP NA NA +MJ094940 Leptosin G1 C32H32N6O7S6 804.065671 NA MeJP NA NA +MJ094941 Leptosin H C32H32N6O7S6 804.065671 NA MeJP NA NA +PJ039415 GSCCCCDD C25H40N8O14S4 804.1547 NA PeJP NA NA +PJ039416 APCCCCCC C26H44N8O9S6 804.1556 NA PeJP NA NA +PJ039417 CCCCNEM C26H44N8O11S5 804.1733 NA PeJP NA NA +PJ039418 GGCCCCEM C26H44N8O11S5 804.1734 NA PeJP NA NA +PJ039419 CCCCCDR C25H44N10O10S5 804.1846 NA PeJP NA NA +PJ039420 GCCCCMW C30H44N8O8S5 804.1886 NA PeJP NA NA +PJ039421 GSSCCCDM C26H44N8O13S4 804.1911 NA PeJP NA NA +FL5FFCGL0003 Gossypetin 3-sophoroside-8-glucoside C33H40O23 804.19603 77306-93-5 knapsack NA NA +MJ094942 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranosyl-(1??)-?-D-glucopyranoside] C33H40O23 804.196037 NA MeJP NA NA +MJ094943 3,3',4',5,6,7-Hexahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C33H40O23 804.196037 NA MeJP NA NA +MJ094944 3,3',4',5,7,8-Hexahydroxyflavone; 3-O-[?-D-Glucopyranosyl)-(1?2)-?-D-glucopyranoside], 8-O-?-D-glucopyranoside C33H40O23 804.196037 NA MeJP NA NA +MJ094945 3,3',4',5,7,8-Hexahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C33H40O23 804.196037 NA MeJP NA NA +PJ039422 STCCCCW C30H44N8O10S4 804.2063 NA PeJP NA NA +PJ039423 GGPCCCCY C30H44N8O10S4 804.2064 NA PeJP NA NA +PJ039424 SSSSCCCE C26H44N8O15S3 804.2089 NA PeJP NA NA +PJ039425 SCCCQMM C27H48N8O10S5 804.2097 NA PeJP NA NA +PJ039426 SCCCCMR C26H48N10O9S5 804.221 NA PeJP NA NA +PJ039427 GCCNDMY C30H44N8O12S3 804.2241 NA PeJP NA NA +PJ039428 GSSSCCMM C27H48N8O12S4 804.2275 NA PeJP NA NA +MJ094946 10-Dehydrogardenoside dimer C34H44O22 804.232423 NA MeJP NA NA +PJ039429 SCNDDDH C28H40N10O16S 804.2345 NA PeJP NA NA +PJ039430 PCCCNEH C29H44N10O11S3 804.2353 NA PeJP NA NA +PJ039431 GGPCCCEH C29H44N10O11S3 804.2354 NA PeJP NA NA +PJ039432 CCCQYW C34H44N8O9S3 804.2394 NA PeJP NA NA +PJ039433 PNDDDDD C29H40N8O19 804.241 NA PeJP NA NA +PJ039434 SSCCNEY C30H44N8O14S2 804.2419 NA PeJP NA NA +PJ039435 GCCNMMF C31H48N8O9S4 804.2427 NA PeJP NA NA +PJ039436 GGGCCMMF C31H48N8O9S4 804.2428 NA PeJP NA NA +PJ039437 DDDDYY C34H40N6O17 804.245 NA PeJP NA NA +PJ039438 SSSSTCCM C27H48N8O14S3 804.2452 NA PeJP NA NA +PJ039439 SCCCKMM C28H52N8O9S5 804.2461 NA PeJP NA NA +PJ039440 DDMMMY C32H48N6O12S3 804.2493 NA PeJP NA NA +PJ039441 GPCCCHW C33H44N10O8S3 804.2506 NA PeJP NA NA +MJ094947 Isochelocardin C44H40N2O13 804.253039 NA MeJP NA NA +PJ039442 GCNDEMH C29H44N10O13S2 804.2531 NA PeJP NA NA +PJ039443 MMMMMM C30H56N6O7S6 804.2535 NA PeJP NA NA +PJ039444 ACCCCFR C30H48N10O8S4 804.254 NA PeJP NA NA +PJ039445 GSSCCYW C34H44N8O11S2 804.2571 NA PeJP NA NA +MJ094948 5,10-Methylenetetrahydromethanopterin C31H45N6O17P 804.25788 NA MeJP NA NA +C01274 5-Formyl-5,6,7,8-tetrahydromethanopterin C31H45N6O17P 804.2579 NA KEGG NA NA +PJ039446 GSSSSCDY C30H44N8O16S 804.2596 NA PeJP NA NA +PJ039447 GSCNMMY C31H48N8O11S3 804.2605 NA PeJP NA NA +PJ039448 DDDMFY C35H44N6O14S 804.2637 NA PeJP NA NA +PJ039449 GCCDDHR C28H44N12O12S2 804.2643 NA PeJP NA NA +PJ039450 GGGGTCCNH C28H44N12O12S2 804.2644 NA PeJP NA NA +PJ039451 DMMMMF C33H52N6O9S4 804.2679 NA PeJP NA NA +PJ039452 CNDMHW C33H44N10O10S2 804.2684 NA PeJP NA NA +PJ039453 SSNDDMH C29H44N10O15S 804.2709 NA PeJP NA NA +PJ039454 GTCCCRY C30H48N10O10S3 804.2717 NA PeJP NA NA +PJ039455 CNNEYY C34H44N8O13S 804.2749 NA PeJP NA NA +PJ039456 CCCKYW C35H48N8O8S3 804.2758 NA PeJP NA NA +PJ039457 SPNDDEE C30H44N8O18 804.2774 NA PeJP NA NA +PJ039458 SSSCQMY C31H48N8O13S2 804.2782 NA PeJP NA NA +PJ039459 GGSSTCMY C31H48N8O13S2 804.2783 NA PeJP NA NA +PJ039460 ACCCKMF C32H52N8O8S4 804.2791 NA PeJP NA NA +PJ039461 SDEEYY C35H44N6O16 804.2814 NA PeJP NA NA +PJ039462 GSSSCNNH C28H44N12O14S 804.2821 NA PeJP NA NA +PJ039463 PCEMYY C36H48N6O11S2 804.2823 NA PeJP NA NA +PJ039464 SPCCCHR C29H48N12O9S3 804.283 NA PeJP NA NA +PJ039465 ACCHWW C37H44N10O7S2 804.2836 NA PeJP NA NA +PJ039466 TEMMMY C33H52N6O11S3 804.2856 NA PeJP NA NA +PJ039467 GSSCEHW C33H44N10O12S 804.2861 NA PeJP NA NA +PJ039468 CMMHHF C34H48N10O7S3 804.287 NA PeJP NA NA +PJ039469 GSSSSDEH C29H44N10O17 804.2886 NA PeJP NA NA +PJ039470 GGGGGGGEEE C29H44N10O17 804.2887 NA PeJP NA NA +PJ039471 SSSCCRY C30H48N10O12S2 804.2895 NA PeJP NA NA +PJ039472 GCNYYW C38H44N8O10S 804.2901 NA PeJP NA NA +PJ039473 GSPDDEW C34H44N8O15 804.2926 NA PeJP NA NA +PJ039474 GPTDDDW C34H44N8O15 804.2927 NA PeJP NA NA +MJ094949 Auriside A C37H57BrO14 804.293169 NA MeJP NA NA +MJ094950 Disain C50H44O10 804.293447 NA MeJP NA NA +PJ039475 GPPCDMW C35H48N8O10S2 804.2935 NA PeJP NA NA +PJ039476 GSSSSSMY C31H48N8O15S 804.296 NA PeJP NA NA +PJ039477 DDDFFF C39H44N6O13 804.2967 NA PeJP NA NA +PJ039478 GTCCKMY C32H52N8O10S3 804.2969 NA PeJP NA NA +PJ039479 GCNNNHF C32H44N12O11S 804.2974 NA PeJP NA NA +PJ039480 SNNNNNE C28H44N12O16 804.2998 NA PeJP NA NA +PJ039481 GNNDDDR C28H44N12O16 804.2999 NA PeJP NA NA +PJ039482 AEEMYY C36H48N6O13S 804.3 NA PeJP NA NA +PJ039483 GSCDMHR C29H48N12O11S2 804.3007 NA PeJP NA NA +PJ039484 SSCHWW C37H44N10O9S 804.3014 NA PeJP NA NA +PJ039485 SSSSDHW C33H44N10O14 804.3039 NA PeJP NA NA +PJ039486 VMMMMY C34H56N6O8S4 804.3043 NA PeJP NA NA +PJ039487 SNMMHW C34H48N10O9S2 804.3047 NA PeJP NA NA +PJ039488 GGSMMHW C34H48N10O9S2 804.3048 NA PeJP NA NA +PJ039489 SSSQEMH C30H48N10O14S 804.3072 NA PeJP NA NA +PJ039490 GPDDDMR C30H48N10O14S 804.3073 NA PeJP NA NA +PJ039491 SPDDWW C38H44N8O12 804.3079 NA PeJP NA NA +PJ039492 QQMMMH C31H52N10O9S3 804.3081 NA PeJP NA NA +PJ039493 GSCQHHH C31H44N14O10S 804.3086 NA PeJP NA NA +MJ094951 Cyclomyrsinol; 5,14-Bis(3-pyridinecarbonyl), 8-(2-methylpropanoyl), 3,10,15-tri-Ac C42H48N2O14 804.310554 NA MeJP NA NA +MJ094952 Phallisin C35H48N8O12S 804.311239 NA MeJP NA NA +PJ039494 PNEEMW C35H48N8O12S 804.3113 NA PeJP NA NA +MJ094953 Aeruginosin 205A C34H53ClN6O12S 804.313069 NA MeJP NA NA +PJ039495 SSSSSSTY C31H48N8O17 804.3137 NA PeJP NA NA +PJ039496 AAQEEEE C31H48N8O17 804.3138 NA PeJP NA NA +PJ039497 SSSCKMY C32H52N8O12S2 804.3146 NA PeJP NA NA +PJ039498 GGSPPEMM C32H52N8O12S2 804.3147 NA PeJP NA NA +PJ039499 GSNNNNW C32H44N12O13 804.3151 NA PeJP NA NA +PJ039500 PPCYYY C40H48N6O10S 804.3153 NA PeJP NA NA +PJ039501 TCCHRW C33H48N12O8S2 804.316 NA PeJP NA NA +PJ039502 TTEEYY C36H48N6O15 804.3178 NA PeJP NA NA +PJ039503 SSSCEHR C29H48N12O13S 804.3185 NA PeJP NA NA +PJ039504 PTMMYY C37H52N6O10S2 804.3187 NA PeJP NA NA +PJ039505 GNNEWW C37H44N10O11 804.3191 NA PeJP NA NA +PJ039506 GGGGGEWW C37H44N10O11 804.3192 NA PeJP NA NA +PJ039507 CQMMHR C30H52N12O8S3 804.3194 NA PeJP NA NA +MJ094954 Phyllanthocic acid; [3-O-Acetyl-6-deoxy-?-D-glucopyranosyl-(1?2)-3-O-acetyl-6-deoxy-?-D-glucopyranosyl] ester C40H52O17 804.32045 NA MeJP NA NA +MJ094955 Phyllanthocic acid; [3-O-Acetyl-6-deoxy-?-D-glucopyranosyl-(1?2)-4-O-acetyl-6-deoxy-?-D-glucopyranosyl] ester C40H52O17 804.32045 NA MeJP NA NA +MJ094956 Phyllanthocic acid; [4-O-Acetyl-6-deoxy-?-D-glucopyranosyl-(1?2)-3-O-acetyl-6-deoxy-?-D-glucopyranosyl] ester C40H52O17 804.32045 NA MeJP NA NA +MJ094957 Phyllanthocic acid; [4-O-Acetyl-6-deoxy-?-D-glucopyranosyl-(1?2)-4-O-acetyl-6-deoxy-?-D-glucopyranosyl] ester C40H52O17 804.32045 NA MeJP NA NA +PJ039508 PCDERW C34H48N10O11S 804.3225 NA PeJP NA NA +PJ039509 NEEEER C30H48N10O16 804.325 NA PeJP NA NA +PJ039510 SPPCDMR C31H52N10O11S2 804.3259 NA PeJP NA NA +PJ039511 SSSNHHH C31H44N14O12 804.3263 NA PeJP NA NA +PJ039512 GGSSSHHH C31H44N14O12 804.3264 NA PeJP NA NA +PJ039513 GPEMWW C39H48N8O9S 804.3265 NA PeJP NA NA +PJ039514 VNEEEW C35H48N8O14 804.329 NA PeJP NA NA +PJ039515 GCNNNQR C28H48N14O12S 804.3297 NA PeJP NA NA +PJ039516 GGGGGGGGACR C28H48N14O12S 804.3298 NA PeJP NA NA +PJ039517 GSPPMMW C36H52N8O9S2 804.3299 NA PeJP NA NA +PJ039518 PNDHHW C36H44N12O10 804.3304 NA PeJP NA NA +PJ039519 CCMHRR C29H52N14O7S3 804.3306 NA PeJP NA NA +PJ039520 GPDKEEM C32H52N8O14S 804.3324 NA PeJP NA NA +PJ039521 APEYYY C40H48N6O12 804.333 NA PeJP NA NA +PJ039522 AEEFFY C40H48N6O12 804.3331 NA PeJP NA NA +PJ039523 APPQMMM C33H56N8O9S3 804.3333 NA PeJP NA NA +PJ039524 CNEHFR C33H48N12O10S 804.3337 NA PeJP NA NA +PJ039525 GGCEHFR C33H48N12O10S 804.3338 NA PeJP NA NA +PJ039526 NNWWW C41H44N10O8 804.3344 NA PeJP NA NA +PJ039527 GSNNEER C29H48N12O15 804.3362 NA PeJP NA NA +PJ039528 DDDERR C29H48N12O15 804.3363 NA PeJP NA NA +PJ039529 SLEMYY C37H52N6O12S 804.3364 NA PeJP NA NA +PJ039530 GSSMMHR C30H52N12O10S2 804.3371 NA PeJP NA NA +PJ039531 VMMMFF C38H56N6O7S3 804.3373 NA PeJP NA NA +PJ039532 GQMHFW C38H48N10O8S 804.3378 NA PeJP NA NA +PJ039533 SSSPQHY C34H48N10O13 804.3402 NA PeJP NA NA +PJ039534 GEEERW C34H48N10O13 804.3403 NA PeJP NA NA +PJ039535 TCKMHW C35H52N10O8S2 804.3411 NA PeJP NA NA +PJ039536 NNHHHF C35H44N14O9 804.3416 NA PeJP NA NA +PJ039537 PMWWW C43H48N8O6S 804.3418 NA PeJP NA NA +PJ039538 GSPEEMR C31H52N10O13S 804.3436 NA PeJP NA NA +PJ039539 GGGGGGALEM C31H52N10O13S 804.3437 NA PeJP NA NA +PJ039540 GVEEWW C39H48N8O11 804.3443 NA PeJP NA NA +PJ039541 APPCMMR C32H56N10O8S3 804.3445 NA PeJP NA NA +PJ039542 GSCKHHH C32H48N14O9S 804.345 NA PeJP NA NA +PJ039543 SSNNNNR C28H48N14O14 804.3475 NA PeJP NA NA +PJ039544 SSPPTMW C36H52N8O11S 804.3476 NA PeJP NA NA +PJ039545 PDKEMW C36H52N8O11S 804.3477 NA PeJP NA NA +PJ039546 GPCCNRR C29H52N14O9S2 804.3484 NA PeJP NA NA +PJ039547 GCHFRW C37H48N12O7S 804.349 NA PeJP NA NA +PJ039548 PTTTQEE C32H52N8O16 804.3501 NA PeJP NA NA +PJ039549 AAKEEEE C32H52N8O16 804.3502 NA PeJP NA NA +PJ039550 GPLQEMM C33H56N8O11S2 804.351 NA PeJP NA NA +PJ039551 SNNERW C33H48N12O12 804.3515 NA PeJP NA NA +PJ039552 PCLFYY C41H52N6O9S 804.3517 NA PeJP NA NA +PJ039553 LMMHHH C34H52N12O7S2 804.3524 NA PeJP NA NA +PJ039554 THHHHH C34H44N16O8 804.3528 NA PeJP NA NA +MJ094958 Antibiotic A 201E C37H52N6O14 804.35415 NA MeJP NA NA +PJ039555 SSSTMHR C30H52N12O12S 804.3549 NA PeJP NA NA +PJ039556 VVMMYY C38H56N6O9S2 804.355 NA PeJP NA NA +PJ039557 EERWW C38H48N10O10 804.3555 NA PeJP NA NA +PJ039558 CKMMHR C31H56N12O7S3 804.3557 NA PeJP NA NA +MJ094959 13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-?-D-Glucopyranoside, 19-O-[3,4-dihydroxycinnamoyl-(?6)-?-D-glucopyranosyl] ester C41H56O16 804.356835 NA MeJP NA NA +MJ094960 13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranoside], ?-D-glucopyranosyl ester C41H56O16 804.356835 NA MeJP NA NA +MJ094961 Hispidin A C41H56O16 804.356835 NA MeJP NA NA +PJ039559 SPEMRW C35H52N10O10S 804.3589 NA PeJP NA NA +PJ039560 VEWWW C43H48N8O8 804.3595 NA PeJP NA NA +MJ094962 22,23-Epoxycholest-9(11)-ene-3,6-diol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucuronopyranoside], 6-sulfate C38H60O16S 804.360206 NA MeJP NA NA +PJ039561 DKEEER C31H52N10O15 804.3614 NA PeJP NA NA +PJ039562 AAPEMMR C32H56N10O10S2 804.3623 NA PeJP NA NA +PJ039563 GSPDHHR C32H48N14O11 804.3627 NA PeJP NA NA +PJ039564 GGGGGVQHH C32H48N14O11 804.3628 NA PeJP NA NA +PJ039565 SPVMWW C40H52N8O8S 804.3629 NA PeJP NA NA +PJ039566 VDKEEW C36H52N8O13 804.3654 NA PeJP NA NA +PJ039567 NNDMRR C29H52N14O11S 804.3661 NA PeJP NA NA +PJ039568 PLQMMW C37H56N8O8S2 804.3663 NA PeJP NA NA +PJ039569 GSNRWW C37H48N12O9 804.3668 NA PeJP NA NA +PJ039570 APTKEEM C33H56N8O13S 804.3688 NA PeJP NA NA +PJ039571 SPLYYY C41H52N6O11 804.3694 NA PeJP NA NA +PJ039572 APPKMMM C34H60N8O8S3 804.3697 NA PeJP NA NA +PJ039573 GQQMRW C34H52N12O9S 804.3701 NA PeJP NA NA +PJ039574 AHHFFF C42H48N10O7 804.3708 NA PeJP NA NA +PJ039575 SEEERR C30H52N12O14 804.3726 NA PeJP NA NA +PJ039576 GGGGGGGGTTK C30H52N12O14 804.3727 NA PeJP NA NA +PJ039577 PDMMRR C31H56N12O9S2 804.3735 NA PeJP NA NA +PJ039578 NNQHHR C31H48N16O10 804.374 NA PeJP NA NA +PJ039579 PPCFRW C39H52N10O7S 804.3742 NA PeJP NA NA +PJ039580 SVEERW C35H52N10O12 804.3766 NA PeJP NA NA +PJ039581 TLDDRW C35H52N10O12 804.3767 NA PeJP NA NA +PJ039582 PCLMRW C36H56N10O7S2 804.3775 NA PeJP NA NA +MJ094963 11,16-Epoxy-19-kauranoic acid, 19-[?-D-Glucopyranosyl-(1?2)[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranosyl] ester C38H60O18 804.377965 NA MeJP NA NA +MJ094964 13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[?-D-Glucopyranosyl-(1?2)-?-D-glycopyranoside], ?-D-glucopyranosyl ester C38H60O18 804.377965 NA MeJP NA NA +MJ094965 13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C38H60O18 804.377965 NA MeJP NA NA +MJ094966 13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[?-D-Glucopyranosyl-(1?2)-?-D-glycopyranoside], ?-D-glucopyranosyl ester C38H60O18 804.377965 NA MeJP NA NA +C09189 Stevioside C38H60O18 804.378 NA KEGG NA NA +PJ039583 LQEEMR C32H56N10O12S 804.38 NA PeJP NA NA +PJ039584 ATLEWW C40H52N8O10 804.3807 NA PeJP NA NA +PJ039585 KKMMMH C33H60N10O7S3 804.3809 NA PeJP NA NA +PJ039586 GCQRRW C33H52N14O8S 804.3814 NA PeJP NA NA +PJ039587 GSSNERR C29H52N14O13 804.3839 NA PeJP NA NA +PJ039588 VLQEMW C37H56N8O10S 804.384 NA PeJP NA NA +PJ039589 GGLLEMW C37H56N8O10S 804.3841 NA PeJP NA NA +PJ039590 PTFFFF C45H52N6O8 804.3847 NA PeJP NA NA +PJ039591 GTLKEEE C33H56N8O15 804.3865 NA PeJP NA NA +PJ039592 GGSTLLEE C33H56N8O15 804.3866 NA PeJP NA NA +PJ039593 GPLKEMM C34H60N8O10S2 804.3874 NA PeJP NA NA +PJ039594 SNDKRW C34H52N12O11 804.3879 NA PeJP NA NA +PJ039595 VVMFFY C42H56N6O8S 804.3881 NA PeJP NA NA +PJ039596 NQKEMR C31H56N12O11S 804.3912 NA PeJP NA NA +PJ039597 VDEMRR C31H56N12O11S 804.3913 NA PeJP NA NA +PJ039598 GTQKWW C39H52N10O9 804.3919 NA PeJP NA NA +PJ039599 PCHHRR C32H52N16O7S 804.3926 NA PeJP NA NA +PJ039600 ALEMRW C36H56N10O9S 804.3953 NA PeJP NA NA +PJ039601 GPLFWW C44H52N8O7 804.3959 NA PeJP NA NA +MJ094967 Cholesta-8,24-diene-3,6-diol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside], 6-sulfate C39H64O15S 804.396592 NA MeJP NA NA +PJ039602 GTTLEER C32H56N10O14 804.3978 NA PeJP NA NA +PJ039603 GPTLMMR C33H60N10O9S2 804.3986 NA PeJP NA NA +PJ039604 ASPLMMR C33H60N10O9S2 804.3987 NA PeJP NA NA +PJ039605 SSNRRW C33H52N14O10 804.3991 NA PeJP NA NA +PJ039606 GLLMWW C41H56N8O7S 804.3993 NA PeJP NA NA +MJ094968 N-Deacyltunicamycin; 5,6-Dihydro, N4''-(10-methyl-2-dodecenoyl) C36H60N4O16 804.400431 NA MeJP NA NA +MJ094969 N-Deacyltunicamycin; 5,6-Dihydro, N4''-(11-methyl-2-dodecenoyl) C36H60N4O16 804.400431 NA MeJP NA NA +PJ039607 TLKEEW C37H56N8O12 804.4018 NA PeJP NA NA +PJ039608 SQQMRR C30H56N14O10S 804.4025 NA PeJP NA NA +PJ039609 PLKMMW C38H60N8O7S2 804.4027 NA PeJP NA NA +PJ039610 PTKHHW C38H52N12O8 804.4031 NA PeJP NA NA +PJ039611 GGVLHHW C38H52N12O8 804.4032 NA PeJP NA NA +PJ039612 GVLKEEM C34H60N8O12S 804.4052 NA PeJP NA NA +PJ039613 ALLYYY C42H56N6O10 804.4058 NA PeJP NA NA +PJ039614 GQKMRW C35H56N12O8S 804.4065 NA PeJP NA NA +PJ039615 GSTQKER C31H56N12O13 804.409 NA PeJP NA NA +MJ094970 11-[10-(11-Methoxyvincamajinyl)]vincorine; Ac C47H56N4O8 804.409814 NA MeJP NA NA +PJ039616 APCCKKR C32H60N12O8S2 804.4099 NA PeJP NA NA +PJ039617 AEHHRR C32H52N16O9 804.4104 NA PeJP NA NA +PJ039618 TTLERW C36H56N10O11 804.413 NA PeJP NA NA +PJ039619 GGGGGPLKY C36H56N10O11 804.4131 NA PeJP NA NA +PJ039620 SCQRRR C29H56N16O9S 804.4137 NA PeJP NA NA +MJ094971 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 3,22-Di-O-?-D-galactopyranoside C39H64O17 804.41435 NA MeJP NA NA +MJ094972 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] C39H64O17 804.41435 NA MeJP NA NA +MJ094973 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 3-O-?-D-Galactopyranoside, 22-O-?-D-glucopyranoside C39H64O17 804.41435 NA MeJP NA NA +MJ094974 Spirostane-2,3,5,6,24-pentol, 2,24-Di-O-?-D-glucopyranoside C39H64O17 804.41435 NA MeJP NA NA +PJ039621 GLHHRW C37H52N14O7 804.4144 NA PeJP NA NA +PJ039622 LKEEMR C33H60N10O11S 804.4164 NA PeJP NA NA +C15725 Nostocyclopeptide A3 C41H56N8O9 804.417 NA KEGG NA NA +PJ039623 STLLWW C41H56N8O9 804.417 NA PeJP NA NA +PJ039624 VTTLWW C41H56N8O9 804.4171 NA PeJP NA NA +PJ039625 GCKRRW C34H56N14O7S 804.4178 NA PeJP NA NA +PJ039626 GSTTQRR C30H56N14O12 804.4202 NA PeJP NA NA +PJ039627 GSSDKRR C30H56N14O12 804.4203 NA PeJP NA NA +PJ039628 VLKEMW C38H60N8O9S 804.4204 NA PeJP NA NA +PJ039629 VVFFFF C46H56N6O7 804.4211 NA PeJP NA NA +PJ039630 SSLLKEE C34H60N8O14 804.4229 NA PeJP NA NA +PJ039631 SPVLKMM C35H64N8O9S2 804.4238 NA PeJP NA NA +PJ039632 STQKRW C35H56N12O10 804.4243 NA PeJP NA NA +PJ039633 TLEMRR C32H60N12O10S 804.4276 NA PeJP NA NA +PJ039634 GGKKEMR C32H60N12O10S 804.4277 NA PeJP NA NA +MJ094975 Yunnanin D C40H56N10O8 804.428258 NA MeJP NA NA +PJ039635 GTKKWW C40H56N10O8 804.4283 NA PeJP NA NA +MJ094976 Noboritomycin A C43H64O14 804.429606 NA MeJP NA NA +PJ039636 GSSSRRR C29H56N16O11 804.4315 NA PeJP NA NA +PJ039637 SLLMRW C37H60N10O8S 804.4317 NA PeJP NA NA +MJ094977 Tryptophyllin L 1.4 C45H56N8O6 804.432281 NA MeJP NA NA +PJ039638 STTLQQK C33H60N10O13 804.4341 NA PeJP NA NA +PJ039639 SSTLLER C33H60N10O13 804.4342 NA PeJP NA NA +PJ039640 AALLMMR C34H64N10O8S2 804.435 NA PeJP NA NA +PJ039641 AQQFRR C34H56N14O9 804.4355 NA PeJP NA NA +PJ039642 SSSLLLW C38H60N8O11 804.4382 NA PeJP NA NA +PJ039643 SQKMRR C31H60N14O9S 804.4389 NA PeJP NA NA +PJ039644 PPLHRW C39H56N12O7 804.4395 NA PeJP NA NA +PJ039645 ATLLKEM C35H64N8O11S 804.4416 NA PeJP NA NA +PJ039646 GKKMRW C36H60N12O7S 804.4429 NA PeJP NA NA +PJ039647 GSTKKER C32H60N12O12 804.4454 NA PeJP NA NA +PJ039648 VLMMRR C33H64N12O7S2 804.4463 NA PeJP NA NA +PJ039649 GNFRRR C33H56N16O8 804.4467 NA PeJP NA NA +PJ039650 GGGFRRR C33H56N16O8 804.4468 NA PeJP NA NA +PJ039651 SKKKEW C37H60N10O10 804.4494 NA PeJP NA NA +PJ039652 SCKRRR C30H60N16O8S 804.4501 NA PeJP NA NA +MJ094978 Ergost-22-ene-3,4,6,8,15,16,28-heptol, 28-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-galactofuranoside] C40H68O16 804.450736 NA MeJP NA NA +PJ039653 ATTLLMR C34H64N10O10S 804.4528 NA PeJP NA NA +PJ039654 PVLKYW C42H60N8O8 804.4534 NA PeJP NA NA +PJ039655 GGLLLFW C42H60N8O8 804.4535 NA PeJP NA NA +PJ039656 GSTTKRR C31H60N14O11 804.4566 NA PeJP NA NA +PJ039657 GPLLKMF C39H64N8O8S 804.4568 NA PeJP NA NA +PJ039658 TTTLLKE C35H64N8O13 804.4593 NA PeJP NA NA +PJ039659 GLLLKMM C36H68N8O8S2 804.4602 NA PeJP NA NA +PJ039660 STKKRW C36H60N12O9 804.4607 NA PeJP NA NA +PJ039661 DKKKMR C33H64N12O9S 804.464 NA PeJP NA NA +PJ039662 ALLFRW C41H60N10O7 804.4647 NA PeJP NA NA +MJ094979 Okadaic acid C44H68O13 804.465992 NA MeJP NA NA +C01945 Okadaic acid C44H68O13 804.466 NA KEGG NA NA +PJ039663 CLKKKW C38H64N10O7S 804.468 NA PeJP NA NA +PJ039664 TTTTLLR C34H64N10O12 804.4705 NA PeJP NA NA +PJ039665 GGTTTLKK C34H64N10O12 804.4706 NA PeJP NA NA +PJ039666 AQKFRR C35H60N14O8 804.4719 NA PeJP NA NA +PJ039667 APTLLKY C39H64N8O10 804.4746 NA PeJP NA NA +PJ039668 SKKMRR C32H64N14O8S 804.4753 NA PeJP NA NA +PJ039669 STLLLKM C36H68N8O10S 804.4779 NA PeJP NA NA +PJ039670 SSSLKKR C33H64N12O11 804.4818 NA PeJP NA NA +PJ039671 LLLQRY C38H64N10O9 804.4858 NA PeJP NA NA +MJ094980 5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 14,15-Didehydro, 13-O-?-D-mannopyranoside, D-mannitol-1-yl ester C41H72O15 804.487121 NA MeJP NA NA +MJ094981 5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 14,15-Didehydro, 13-O-?-D-mannopyranoside, D-mannitol-2-yl ester C41H72O15 804.487121 NA MeJP NA NA +MJ094982 5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 14,15-Didehydro, 13-O-?-D-mannopyranoside, D-mannitol-3-yl ester C41H72O15 804.487121 NA MeJP NA NA +MJ094983 Stigmastane-3,4,6,8,15,16,29-heptol, 29-O-[2,4-Di-O-Methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] C41H72O15 804.487121 NA MeJP NA NA +MJ094984 Stigmastane-3,6,8,15,16,29-hexol, 29-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-galactofuranoside] C41H72O15 804.487121 NA MeJP NA NA +PJ039672 GTLKKKM C35H68N10O9S 804.4892 NA PeJP NA NA +PJ039673 VLLKFW C43H64N8O7 804.4898 NA PeJP NA NA +PJ039674 VVLRRY C37H64N12O8 804.497 NA PeJP NA NA +MJ094985 44-Homooligomycin A; 20-Deethyl, 20-methyl, 28-oxo C45H72O12 804.502377 NA MeJP NA NA +MJ094986 Oligomycin A; 28-Oxo C45H72O12 804.502377 NA MeJP NA NA +C11312 Oligomycin B C45H72O12 804.5024 NA KEGG NA NA +PJ039675 STTLKKK C35H68N10O11 804.5069 NA PeJP NA NA +PJ039676 AKKFRR C36H64N14O7 804.5083 NA PeJP NA NA +PJ039677 GVLLLKY C40H68N8O9 804.511 NA PeJP NA NA +PJ039678 LLLKRY C39H68N10O8 804.5222 NA PeJP NA NA +MJ094987 Halymecin A C42H76O14 804.523507 NA MeJP NA NA +PJ039679 VKKKFR C38H68N12O7 804.5334 NA PeJP NA NA +MJ094988 44-Homooligomycin A C46H76O11 804.538763 NA MeJP NA NA +MJ094989 Oligomycin F C46H76O11 804.538763 NA MeJP NA NA +MJ094990 16-[[3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]oxy]hexadecyl 16-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]hexadecanoate C50H76O8 804.554019 NA MeJP NA NA +EUR1110 SM(d18:1/22:3) [M+Na]+ C45H87N2O6P 804.612122 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1110 SM(d18:1/22:3) [M+Na]+ C45H87N2O6P 804.612122 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1110 SM(d18:1/22:3) [M+Na]+ C45H87N2O6P 804.612122 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1110 SM(d18:1/22:3) [M+Na]+ C45H87N2O6P 804.612122 masses lipides attendues Inhousejuil11 NA NA +EUR1092 SM(d18:1/20:0) [M+FA-H]- C43H87N2O6P 804.635056 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1092 SM(d18:1/20:0) [M+FA-H]- C43H87N2O6P 804.635056 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1092 SM(d18:1/20:0) [M+FA-H]- C43H87N2O6P 804.635056 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1092 SM(d18:1/20:0) [M+FA-H]- C43H87N2O6P 804.635056 masses lipides attendues Inhousejuil11 NA NA +MJ094991 2-Decaprenyl-6-methoxyphenol C57H88O2 804.678432 NA MeJP NA NA +HMDB05359 TG(16:0/16:0/16:1(9Z))[iso3] C51H96O6 804.7207 http://www.hmdb.ca/metabolites/HMDB05359 HMDB NA NA +HMDB05359 TG(16:0/16:0/16:1(9Z))[iso3] C51H96O6 804.7207 HMDB05359 PFEM_hmdb_metabocards_official NA NA +HMDB05359 TG(16:0/16:0/16:1(9Z))[iso3] C51H96O6 804.720703 NA HMDB2010 NA NA +HMDB10414 TG(16:0/14:0/18:1(9Z))[iso6] C51H96O6 804.720703 NA HMDB2010 NA NA +HMDB10426 TG(18:0/14:0/16:1(9Z))[iso6] C51H96O6 804.720703 NA HMDB2010 NA NA +MJ094992 12-Ursen-3-ol, Hexacosanoyl C56H100O2 804.772332 NA MeJP NA NA +MJ094993 20(29)-Lupen-3-ol, Hexacosanoyl C56H100O2 804.772332 NA MeJP NA NA +MJ094994 Hancolupenol; Hexacosanoyl C56H100O2 804.772332 NA MeJP NA NA +PJ039680 CCCCDEM C26H43N7O12S5 805.1574 NA PeJP NA NA +PJ039681 GSCCCCCQ C25H43N9O11S5 805.1686 NA PeJP NA NA +PJ039682 SSSCCCCN C25H43N9O13S4 805.1863 NA PeJP NA NA +PJ039683 GGSSSCCCC C25H43N9O13S4 805.1864 NA PeJP NA NA +PJ039684 PCCCCDY C30H43N7O11S4 805.1904 NA PeJP NA NA +PJ039685 SCCCEMM C27H47N7O11S5 805.1937 NA PeJP NA NA +PJ039686 CCCCNNF C29H43N9O10S4 805.2016 NA PeJP NA NA +PJ039687 GSCCCCCK C26H47N9O10S5 805.205 NA PeJP NA NA +PJ039688 GCCDDMY C30H43N7O13S3 805.2081 NA PeJP NA NA +PJ039689 PCCCCMF C31H47N7O8S5 805.209 NA PeJP NA NA +PJ039690 GCCMMMM C28H51N7O8S6 805.2124 NA PeJP NA NA +PJ039691 TCCCCHH C28H43N11O9S4 805.2128 NA PeJP NA NA +PJ039692 SCDDDDH C28H39N9O17S 805.2185 NA PeJP NA NA +PJ039693 SCCCNNY C29H43N9O12S3 805.2194 NA PeJP NA NA +PJ039694 CCCEYW C34H43N7O10S3 805.2234 NA PeJP NA NA +PJ039695 PDDDDDD C29H39N7O20 805.225 NA PeJP NA NA +PJ039696 SSCCDEY C30H43N7O15S2 805.2259 NA PeJP NA NA +PJ039697 SPCCCMY C31H47N7O10S4 805.2267 NA PeJP NA NA +PJ039698 GCCDMMF C31H47N7O10S4 805.2268 NA PeJP NA NA +PJ039699 STCCMMM C28H51N7O10S5 805.2301 NA PeJP NA NA +PJ039700 GCDDEMH C29H43N9O14S2 805.2371 NA PeJP NA NA +PJ039701 GCCDDFF C34H43N7O12S2 805.2411 NA PeJP NA NA +PJ039702 GSCDMMY C31H47N7O12S3 805.2445 NA PeJP NA NA +PJ039703 GCCCHHF C32H43N11O8S3 805.2459 NA PeJP NA NA +PJ039704 SCCNNEH C28H43N11O13S2 805.2484 NA PeJP NA NA +PJ039705 CDDMHW C33H43N9O11S2 805.2524 NA PeJP NA NA +PJ039706 SSDDDMH C29H43N9O16S 805.2549 NA PeJP NA NA +PJ039707 SPCCEMH C30H47N9O11S3 805.2557 NA PeJP NA NA +PJ039708 CNDEYY C34H43N7O14S 805.2589 NA PeJP NA NA +PJ039709 TCCMYW C35H47N7O9S3 805.2598 NA PeJP NA NA +PJ039710 SPDDDEE C30H43N7O19 805.2614 NA PeJP NA NA +PJ039711 SSSCEMY C31H47N7O14S2 805.2623 NA PeJP NA NA +MJ094995 Penimocycline C39H43N5O12S 805.262892 NA MeJP NA NA +PJ039712 CQMMMY C32H51N7O9S4 805.2631 NA PeJP NA NA +PJ039713 GSCCNHW C32H43N11O10S2 805.2636 NA PeJP NA NA +PJ039714 GSSSCNDH C28H43N11O15S 805.2661 NA PeJP NA NA +PJ039715 GCNNMMH C29H47N11O10S3 805.267 NA PeJP NA NA +PJ039716 GPCNDDW C33H43N9O13S 805.2701 NA PeJP NA NA +PJ039717 GGGPCDDW C33H43N9O13S 805.2702 NA PeJP NA NA +PJ039718 PPCCCHF C34H47N9O8S3 805.271 NA PeJP NA NA +PJ039719 GNNDEEE C29H43N9O18 805.2726 NA PeJP NA NA +PJ039720 GGGNDEEE C29H43N9O18 805.2727 NA PeJP NA NA +PJ039721 GSDEMMH C30H47N9O13S2 805.2735 NA PeJP NA NA +PJ039722 GCDYYW C38H43N7O11S 805.2742 NA PeJP NA NA +PJ039723 CCMMRY C31H51N9O8S4 805.2744 NA PeJP NA NA +PJ039724 GSSDDYY C34H43N7O16 805.2767 NA PeJP NA NA +PJ039725 CNNNNNN C27H43N13O14S 805.2773 NA PeJP NA NA +PJ039726 GGGGCNNNN C27H43N13O14S 805.2774 NA PeJP NA NA +PJ039727 GPTCCYY C35H47N7O11S2 805.2775 NA PeJP NA NA +PJ039728 GCCCQHR C28H47N13O9S3 805.2782 NA PeJP NA NA +MJ094996 Perdeacyleuojaponin; 1,2,6,8,9,14-Hexa-Ac C38H47NO18 805.279313 NA MeJP NA NA +MJ094997 Perdeacylhypoglaunine; 23-Deoxy, 1,2,6,8,9,14-hexa-Ac C38H47NO18 805.279313 NA MeJP NA NA +MJ094998 Perdeacylisowilfordine; 26-Deoxy, 1,2,6,8,9,14-penta-Ac C38H47NO18 805.279313 NA MeJP NA NA +MJ094999 Perdeacylwilforine; 1,2,6,8,9,14-Hexa-Ac C38H47NO18 805.279313 NA MeJP NA NA +PJ039729 GPDEEEM C31H47N7O16S 805.28 NA PeJP NA NA +PJ039730 GSSMMMY C32H51N7O11S3 805.2809 NA PeJP NA NA +PJ039731 GCNNDHF C32H43N11O12S 805.2814 NA PeJP NA NA +PJ039732 GNDDDDR C28H43N11O17 805.2839 NA PeJP NA NA +PJ039733 SSCNQMH C29H47N11O12S2 805.2847 NA PeJP NA NA +PJ039734 GGGGSTCMH C29H47N11O12S2 805.2848 NA PeJP NA NA +PJ039735 NNDEEW C33H43N9O15 805.2879 NA PeJP NA NA +PJ039736 SDMMHW C34H47N9O10S2 805.2888 NA PeJP NA NA +PJ039737 SSSEEMH C30H47N9O15S 805.2913 NA PeJP NA NA +PJ039738 QEMMMH C31H51N9O10S3 805.2921 NA PeJP NA NA +PJ039739 GGGGPPCMM C31H51N9O10S3 805.2922 NA PeJP NA NA +PJ039740 GSCEHHH C31H43N13O11S 805.2926 NA PeJP NA NA +PJ039741 GCMFYW C39H47N7O8S2 805.2928 NA PeJP NA NA +PJ039742 PDEEMW C35H47N7O13S 805.2953 NA PeJP NA NA +PJ039743 SSCCNHR C28H47N13O11S2 805.296 NA PeJP NA NA +PJ039744 CQMMFF C36H51N7O8S3 805.2962 NA PeJP NA NA +PJ039745 AAEEEEE C31H47N7O18 805.2978 NA PeJP NA NA +PJ039746 SSSTMMY C32H51N7O13S2 805.2986 NA PeJP NA NA +PJ039747 SPPDEMM C32H51N7O13S2 805.2987 NA PeJP NA NA +PJ039748 GSNNNDW C32H43N11O14 805.2991 NA PeJP NA NA +PJ039749 GGGGGGGSDW C32H43N11O14 805.2992 NA PeJP NA NA +PJ039750 CKMMMY C33H55N7O8S4 805.2995 NA PeJP NA NA +PJ039751 SPCNDDR C29H47N11O14S 805.3025 NA PeJP NA NA +PJ039752 GNDEWW C37H43N9O12 805.3032 NA PeJP NA NA +PJ039753 CEMMHR C30H51N11O9S3 805.3034 NA PeJP NA NA +PJ039754 GSPNDMW C34H47N9O12S 805.3065 NA PeJP NA NA +PJ039755 AMMMHW C35H51N9O7S3 805.3074 NA PeJP NA NA +PJ039756 SCHHHW C35H43N13O8S 805.3079 NA PeJP NA NA +PJ039757 DEEEER C30H47N9O17 805.309 NA PeJP NA NA +PJ039758 GTTEMMH C31H51N9O12S2 805.3099 NA PeJP NA NA +PJ039759 SSSDHHH C31H43N13O13 805.3104 NA PeJP NA NA +PJ039760 GSMYYW C39H47N7O10S 805.3105 NA PeJP NA NA +PJ039761 NMMHHH C32H47N13O8S2 805.3112 NA PeJP NA NA +PJ039762 GSSTEYY C35H47N7O15 805.313 NA PeJP NA NA +PJ039763 VDEEEW C35H47N7O15 805.3131 NA PeJP NA NA +PJ039764 GCNNNER C28H47N13O13S 805.3137 NA PeJP NA NA +PJ039765 GGGGGGGCER C28H47N13O13S 805.3138 NA PeJP NA NA +PJ039766 AQMMYY C36H51N7O10S2 805.3139 NA PeJP NA NA +PJ039767 PDDHHW C36H43N11O11 805.3144 NA PeJP NA NA +PJ039768 GCCCKHR C29H51N13O8S3 805.3146 NA PeJP NA NA +PJ039769 APTEEEM C32H51N7O15S 805.3164 NA PeJP NA NA +PJ039770 APPEMMM C33H55N7O10S3 805.3173 NA PeJP NA NA +PJ039771 NNNQMW C33H47N11O11S 805.3177 NA PeJP NA NA +PJ039772 GGNNQMW C33H47N11O11S 805.3178 NA PeJP NA NA +PJ039773 NDWWW C41H43N9O9 805.3184 NA PeJP NA NA +PJ039774 SSSSSSQH C29H47N11O16 805.3202 NA PeJP NA NA +PJ039775 GSNDEER C29H47N11O16 805.3203 NA PeJP NA NA +PJ039776 GPCNEMR C30H51N11O11S2 805.3211 NA PeJP NA NA +PJ039777 GGGGGAPCCK C30H51N11O11S2 805.3212 NA PeJP NA NA +PJ039778 GNNNNHH C30H43N15O12 805.3216 NA PeJP NA NA +PJ039779 SPCQWW C38H47N9O9S 805.3218 NA PeJP NA NA +PJ039780 SQQEEW C34H47N9O14 805.3243 NA PeJP NA NA +PJ039781 TTMMHW C35H51N9O9S2 805.3251 NA PeJP NA NA +PJ039782 GGGAPMMW C35H51N9O9S2 805.3252 NA PeJP NA NA +PJ039783 NDHHHF C35H43N13O10 805.3256 NA PeJP NA NA +PJ039784 GCFFFW C43H47N7O7S 805.3258 NA PeJP NA NA +PJ039785 STTTEMH C31H51N9O14S 805.3276 NA PeJP NA NA +PJ039786 GGGVQEEM C31H51N9O14S 805.3277 NA PeJP NA NA +PJ039787 SSTYYW C39H47N7O12 805.3283 NA PeJP NA NA +PJ039788 KEMMMH C32H55N9O9S3 805.3285 NA PeJP NA NA +PJ039789 CNNNRW C32H47N13O10S 805.329 NA PeJP NA NA +PJ039790 SSNNNDR C28H47N13O15 805.3315 NA PeJP NA NA +PJ039791 SDKMYY C36H51N7O12S 805.3317 NA PeJP NA NA +PJ039792 GPCCDRR C29H51N13O10S2 805.3324 NA PeJP NA NA +PJ039793 CKMMFF C37H55N7O7S3 805.3325 NA PeJP NA NA +PJ039794 GTLEEEE C32H51N7O17 805.3342 NA PeJP NA NA +PJ039795 GPLEEMM C33H55N7O12S2 805.335 NA PeJP NA NA +PJ039796 APVEEMM C33H55N7O12S2 805.3351 NA PeJP NA NA +PJ039797 SNDERW C33H47N11O13 805.3355 NA PeJP NA NA +PJ039798 PCNMRW C34H51N11O8S2 805.3364 NA PeJP NA NA +PJ039799 MHFWW C42H47N9O6S 805.337 NA PeJP NA NA +PJ039800 NQEEMR C30H51N11O13S 805.3389 NA PeJP NA NA +PJ039801 GTQEWW C38H47N9O11 805.3395 NA PeJP NA NA +PJ039802 GGGGPEFW C38H47N9O11 805.3396 NA PeJP NA NA +PJ039803 TMMMHR C31H55N11O8S3 805.3398 NA PeJP NA NA +PJ039804 VNQEMW C35H51N9O11S 805.3429 NA PeJP NA NA +PJ039805 QFYYW C43H47N7O9 805.3435 NA PeJP NA NA +PJ039806 GAFYYW C43H47N7O9 805.3436 NA PeJP NA NA +PJ039807 GSQKEEE C31H51N9O16 805.3454 NA PeJP NA NA +PJ039808 SSTLMMH C32H55N9O11S2 805.3463 NA PeJP NA NA +PJ039809 SSTTHHH C32H47N13O12 805.3467 NA PeJP NA NA +PJ039810 GGAAQEHH C32H47N13O12 805.3468 NA PeJP NA NA +PJ039811 PPEMFW C40H51N7O9S 805.3469 NA PeJP NA NA +PJ039812 TLEEEW C36H51N7O14 805.3494 NA PeJP NA NA +PJ039813 NDDMRR C29H51N13O12S 805.3501 NA PeJP NA NA +PJ039814 PLEMMW C37H55N7O9S2 805.3503 NA PeJP NA NA +PJ039815 GSDRWW C37H47N11O10 805.3508 NA PeJP NA NA +PJ039816 GVLEEEM C33H55N7O14S 805.3528 NA PeJP NA NA +PJ039817 SPPLMMM C34H59N7O9S3 805.3537 NA PeJP NA NA +PJ039818 GQEMRW C34H51N11O10S 805.3541 NA PeJP NA NA +PJ039819 GGAEMRW C34H51N11O10S 805.3542 NA PeJP NA NA +PJ039820 TQWWW C42H47N9O8 805.3548 NA PeJP NA NA +PJ039821 GSTQEER C30H51N11O15 805.3566 NA PeJP NA NA +PJ039822 GGGGSSQKE C30H51N11O15 805.3567 NA PeJP NA NA +PJ039823 GSPQMMR C31H55N11O10S2 805.3575 NA PeJP NA NA +PJ039824 NNEHHR C31H47N15O11 805.358 NA PeJP NA NA +PJ039825 GVQMWW C39H51N9O8S 805.3582 NA PeJP NA NA +MJ095000 Microginin 99A; 1-Chloro C40H57Cl2N5O8 805.358419 NA MeJP NA NA +PJ039826 SSPTTQW C35H51N9O13 805.3606 NA PeJP NA NA +PJ039827 SQKEEW C35H51N9O13 805.3607 NA PeJP NA NA +PJ039828 GSCNNRR C28H51N15O11S 805.3614 NA PeJP NA NA +PJ039829 PNKMMW C36H55N9O8S2 805.3615 NA PeJP NA NA +PJ039830 AQQHHW C36H47N13O9 805.362 NA PeJP NA NA +PJ039831 LEEEMR C32H55N9O13S 805.364 NA PeJP NA NA +PJ039832 GGGVKEEM C32H55N9O13S 805.3641 NA PeJP NA NA +PJ039833 PVEEFW C40H51N7O11 805.3647 NA PeJP NA NA +PJ039834 PPCCKKM C33H59N9O8S3 805.3649 NA PeJP NA NA +PJ039835 GCERRW C33H51N13O9S 805.3654 NA PeJP NA NA +MJ095001 Taxol?; 7-Epimer, N-debenzoyl, N-hexanoyl, 10-de-Ac C44H55NO13 805.36734 NA MeJP NA NA +MJ095002 Taxol?; N-Debenzoyl, N-hexanoyl, 10-de-Ac C44H55NO13 805.36734 NA MeJP NA NA +PJ039836 GSSDERR C29H51N13O14 805.3679 NA PeJP NA NA +PJ039837 TTKMYY C37H55N7O11S 805.368 NA PeJP NA NA +PJ039838 VLEEMW C37H55N7O11S 805.3681 NA PeJP NA NA +PJ039839 GSPCMRR C30H55N13O9S2 805.3688 NA PeJP NA NA +PJ039840 QMRWW C38H51N11O7S 805.3694 NA PeJP NA NA +PJ039841 SSLLEEE C33H55N7O16 805.3706 NA PeJP NA NA +PJ039842 SPVLEMM C34H59N7O11S2 805.3714 NA PeJP NA NA +PJ039843 STQERW C34H51N11O12 805.3719 NA PeJP NA NA +PJ039844 CLMHFR C35H55N11O7S2 805.3728 NA PeJP NA NA +PJ039845 GNHHRW C35H47N15O8 805.3732 NA PeJP NA NA +PJ039846 GGGHHRW C35H47N15O8 805.3733 NA PeJP NA NA +PJ039847 NKEEMR C31H55N11O12S 805.3753 NA PeJP NA NA +PJ039848 GTKEWW C39H51N9O10 805.3759 NA PeJP NA NA +PJ039849 VNKEMW C36H55N9O10S 805.3793 NA PeJP NA NA +PJ039850 KFYYW C44H51N7O8 805.3799 NA PeJP NA NA +PJ039851 GAAFFFF C44H51N7O8 805.38 NA PeJP NA NA +PJ039852 CRRWW C37H51N13O6S 805.3806 NA PeJP NA NA +PJ039853 GSKKEEE C32H55N9O15 805.3818 NA PeJP NA NA +PJ039854 GPDKKMM C33H59N9O10S2 805.3827 NA PeJP NA NA +PJ039855 SSDRRW C33H51N13O11 805.3831 NA PeJP NA NA +PJ039856 GGGGGAQFR C33H51N13O11 805.3832 NA PeJP NA NA +PJ039857 PPLMYW C41H55N7O8S 805.3833 NA PeJP NA NA +PJ039858 GPVLEEY C37H55N7O13 805.3858 NA PeJP NA NA +PJ039859 SQEMRR C30H55N13O11S 805.3865 NA PeJP NA NA +PJ039860 APPLMMF C38H59N7O8S2 805.3867 NA PeJP NA NA +PJ039861 GTTRWW C38H51N11O9 805.3872 NA PeJP NA NA +PJ039862 ATLLEEM C34H59N7O13S 805.3892 NA PeJP NA NA +PJ039863 APLLMMM C35H63N7O8S3 805.3901 NA PeJP NA NA +PJ039864 GKEMRW C35H55N11O9S 805.3905 NA PeJP NA NA +PJ039865 TKWWW C43H51N9O7 805.3912 NA PeJP NA NA +PJ039866 GSTKEER C31H55N11O14 805.393 NA PeJP NA NA +PJ039867 GSPKMMR C32H59N11O9S2 805.3939 NA PeJP NA NA +PJ039868 NDKHHR C32H51N15O10 805.3944 NA PeJP NA NA +PJ039869 GVKMWW C40H55N9O7S 805.3946 NA PeJP NA NA +PJ039870 SKKEEW C36H55N9O12 805.397 NA PeJP NA NA +PJ039871 GSVTKEW C36H55N9O12 805.3971 NA PeJP NA NA +PJ039872 SCERRR C29H55N15O10S 805.3977 NA PeJP NA NA +PJ039873 LKMMHF C37H59N9O7S2 805.3979 NA PeJP NA NA +PJ039874 PPNHRW C37H51N13O8 805.3984 NA PeJP NA NA +PJ039875 AAKKEEM C33H59N9O12S 805.4004 NA PeJP NA NA +PJ039876 PVLEYW C41H55N7O10 805.4011 NA PeJP NA NA +PJ039877 GTMRRW C34H55N13O8S 805.4018 NA PeJP NA NA +PJ039878 SSSNQKR C30H55N13O13 805.4042 NA PeJP NA NA +PJ039879 GSTTERR C30H55N13O13 805.4043 NA PeJP NA NA +PJ039880 SPPVLMY C38H59N7O10S 805.4044 NA PeJP NA NA +PJ039881 GPLLEMF C38H59N7O10S 805.4045 NA PeJP NA NA +PJ039882 VNMMRR C31H59N13O8S2 805.4051 NA PeJP NA NA +PJ039883 SNHHRR C31H51N17O9 805.4056 NA PeJP NA NA +PJ039884 KMRWW C39H55N11O6S 805.4058 NA PeJP NA NA +PJ039885 TTTLLEE C34H59N7O15 805.4069 NA PeJP NA NA +PJ039886 GLLLEMM C35H63N7O10S2 805.4078 NA PeJP NA NA +PJ039887 STKERW C35H55N11O11 805.4083 NA PeJP NA NA +PJ039888 SSPTKMR C32H59N11O11S 805.4116 NA PeJP NA NA +PJ039889 DKKEMR C32H59N11O11S 805.4117 NA PeJP NA NA +PJ039890 SSLKWW C40H55N9O9 805.4123 NA PeJP NA NA +PJ039891 VDKKMW C37H59N9O9S 805.4157 NA PeJP NA NA +PJ039892 PPLFFW C45H55N7O7 805.4163 NA PeJP NA NA +PJ039893 GMMRRR C30H59N15O7S2 805.4164 NA PeJP NA NA +PJ039894 ATTKKEE C33H59N9O14 805.4182 NA PeJP NA NA +PJ039895 APTKKMM C34H63N9O9S2 805.419 NA PeJP NA NA +PJ039896 GVLQKMM C34H63N9O9S2 805.4191 NA PeJP NA NA +PJ039897 STTRRW C34H55N13O10 805.4195 NA PeJP NA NA +PJ039898 PLLMFW C42H59N7O7S 805.4197 NA PeJP NA NA +PJ039899 APTLLEY C38H59N7O12 805.4222 NA PeJP NA NA +PJ039900 SKEMRR C31H59N13O10S 805.4229 NA PeJP NA NA +PJ039901 LLLMMW C39H63N7O7S2 805.4231 NA PeJP NA NA +PJ039902 GPKRYW C39H55N11O8 805.4235 NA PeJP NA NA +PJ039903 GGALFRW C39H55N11O8 805.4236 NA PeJP NA NA +MJ095003 Ganefromycin ?1; 13-Me ether, 32-O-(2,6-dideoxy-?-L-galactopyranoside) C42H63NO14 805.424855 NA MeJP NA NA +PJ039904 STLLLEM C35H63N7O12S 805.4256 NA PeJP NA NA +PJ039905 SVKMRW C36H59N11O8S 805.4269 NA PeJP NA NA +PJ039906 SSSLKER C32H59N11O13 805.4294 NA PeJP NA NA +PJ039907 LQKMMR C33H63N11O8S2 805.4303 NA PeJP NA NA +PJ039908 GDFRRR C33H55N15O9 805.4308 NA PeJP NA NA +PJ039909 GTTTLKW C37H59N9O11 805.4334 NA PeJP NA NA +PJ039910 GGGGGLLLY C37H59N9O11 805.4335 NA PeJP NA NA +PJ039911 STMRRR C30H59N15O9S 805.4341 NA PeJP NA NA +PJ039912 AAFRRW C38H55N13O7 805.4348 NA PeJP NA NA +PJ039913 GTLKKEM C34H63N9O11S 805.4368 NA PeJP NA NA +PJ039914 VLLEFW C42H59N7O9 805.4375 NA PeJP NA NA +PJ039915 PCKFRR C35H59N13O7S 805.4381 NA PeJP NA NA +PJ039916 SSSTLRR C31H59N13O12 805.4406 NA PeJP NA NA +PJ039917 GGSSSKKR C31H59N13O12 805.4407 NA PeJP NA NA +PJ039918 GPLLLMY C39H63N7O9S 805.4408 NA PeJP NA NA +PJ039919 CLKMRR C32H63N13O7S2 805.4415 NA PeJP NA NA +PJ039920 SVLLLMM C36H67N7O9S2 805.4442 NA PeJP NA NA +PJ039921 PDKKRY C36H59N11O10 805.4447 NA PeJP NA NA +PJ039922 GTTLKMR C33H63N11O10S 805.448 NA PeJP NA NA +PJ039923 GGGTKKKM C33H63N11O10S 805.4481 NA PeJP NA NA +PJ039924 PTKKFW C41H59N9O8 805.4487 NA PeJP NA NA +PJ039925 TLKKMW C38H63N9O8S 805.4521 NA PeJP NA NA +PJ039926 STTLKKE C34H63N9O13 805.4546 NA PeJP NA NA +PJ039927 GVLKKMM C35H67N9O8S2 805.4554 NA PeJP NA NA +PJ039928 SPKRRY C35H59N13O9 805.4559 NA PeJP NA NA +PJ039929 GVLLLEY C39H63N7O11 805.4586 NA PeJP NA NA +PJ039930 GSCKKKR C32H63N13O9S 805.4593 NA PeJP NA NA +PJ039931 GLKFRW C40H59N11O7 805.4599 NA PeJP NA NA +MJ095004 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-L-arabinopyranosyl-(1?6)-2-acetamido-2-deoxy-?-D-glucopyranoside] C43H67NO13 805.461241 NA MeJP NA NA +PJ039932 PKKMFR C37H63N11O7S 805.4633 NA PeJP NA NA +PJ039933 STTTLKR C33H63N11O12 805.4658 NA PeJP NA NA +PJ039934 LKKMMR C34H67N11O7S2 805.4667 NA PeJP NA NA +PJ039935 GVRRRY C34H59N15O8 805.4671 NA PeJP NA NA +PJ039936 LLLERY C38H63N9O10 805.4698 NA PeJP NA NA +PJ039937 SSLLKKM C35H67N9O10S 805.4732 NA PeJP NA NA +PJ039938 VLLLYW C43H63N7O8 805.4738 NA PeJP NA NA +PJ039939 GPLLLFF C43H63N7O8 805.4739 NA PeJP NA NA +PJ039940 GLLLLMF C40H67N7O8S 805.4772 NA PeJP NA NA +PJ039941 RRRRY C33H59N17O7 805.4784 NA PeJP NA NA +PJ039942 VLQKRY C37H63N11O9 805.4811 NA PeJP NA NA +MJ095005 Erythromycin; 2'-(Ethyl carbonate) C40H71NO15 805.48237 NA MeJP NA NA +PJ039943 GSKKKKM C34H67N11O9S 805.4844 NA PeJP NA NA +PJ039944 VVKKFW C42H63N9O7 805.4851 NA PeJP NA NA +HMDB12373 PS(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C44H72NO10P 805.48938 NA HMDB2010 NA NA +HMDB12416 PS(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) C44H72NO10P 805.48938 NA HMDB2010 NA NA +HMDB12436 PS(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) C44H72NO10P 805.48938 NA HMDB2010 NA NA +HMDB12443 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) C44H72NO10P 805.48938 NA HMDB2010 NA NA +PJ039945 ALKRRY C36H63N13O8 805.4923 NA PeJP NA NA +PJ039946 ATLLLLY C40H67N7O10 805.495 NA PeJP NA NA +MJ095006 Crustulinol; 2-O-(3-Hydroxy-3-methylglutaroyl)(S)-, amide with (S)-valine Me ester, 3-Ac C44H71NO12 805.497626 NA MeJP NA NA +PJ039947 SSTKKKK C34H67N11O11 805.5022 NA PeJP NA NA +PJ039948 PLKHRR C35H63N15O7 805.5035 NA PeJP NA NA +PJ039949 AALLKKY C39H67N9O9 805.5062 NA PeJP NA NA +PJ039950 VLKKRY C38H67N11O8 805.5174 NA PeJP NA NA +MJ095007 Scytophycin C C45H75NO11 805.534012 NA MeJP NA NA +HMDB12317 3-O-Sulfogalactosylceramide (d18:1/18:1(9Z)) C42H79NO11S 805.537354 NA HMDB2010 NA NA +PJ039951 VVLLLLH C40H71N9O8 805.5426 NA PeJP NA NA +PJ039952 KKKKKF C39H71N11O7 805.5538 NA PeJP NA NA +HMDB04866 Lactosylceramide (d18:1/12:0) C42H79NO13 805.55511 http://www.hmdb.ca/metabolites/HMDB04866 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04866 Lactosylceramide (d18:1/12:0) C42H79NO13 805.55511 http://www.hmdb.ca/metabolites/HMDB04866 HMDB NA NA +HMDB04866 Lactosylceramide (d18:1/12:0) C42H79NO13 805.55511 http://www.hmdb.ca/metabolites/HMDB04866 PFEM_hmdb_metabocards_blood NA blood +HMDB04866 Lactosylceramide (d18:1/12:0) C42H79NO13 805.55511 HMDB04866 PFEM_hmdb_metabocards_official NA NA +HMDB04866 Lactosylceramide (d18:1/12:0) C42H79NO13 805.555115 NA HMDB2010 NA NA +EUR970 PC 36:3 [M+Na]+ C44H82NO8P 805.559753 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR970 PC 36:3 [M+Na]+ C44H82NO8P 805.559753 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR970 PC 36:3 [M+Na]+ C44H82NO8P 805.559753 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR970 PC 36:3 [M+Na]+ C44H82NO8P 805.559753 masses lipides attendues Inhousejuil11 NA NA +HMDB07991 PC(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08022 PC(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08024 PC(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08083 PC(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08116 PC(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08147 PC(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08148 PC(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08178 PC(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08179 PC(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08211 PC(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08212 PC(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08243 PC(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08339 PC(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08370 PC(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08371 PC(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08403 PC(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08404 PC(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08434 PC(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08467 PC(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08498 PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08499 PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08660 PC(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08693 PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) C46H80NO8P 805.562134 NA HMDB2010 NA NA +HMDB08725 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0) C46H80NO8P 805.562134 NA HMDB2010 NA NA +EUR1004 PC 38:6 monoisotopic mass C46H80NO8P 805.562157 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1004 PC 38:6 monoisotopic mass C46H80NO8P 805.562157 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1004 PC 38:6 monoisotopic mass C46H80NO8P 805.562157 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1004 PC 38:6 monoisotopic mass C46H80NO8P 805.562157 masses lipides attendues Inhousejuil11 NA NA +EUR942 PC 34:1 [M+FA-H]- C42H82NO8P 805.582687 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1032 16:0-18:1 PC [M+FA-H]- C42H82NO8P 805.582687 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR942 PC 34:1 [M+FA-H]- C42H82NO8P 805.582687 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1032 16:0-18:1 PC [M+FA-H]- C42H82NO8P 805.582687 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR942 PC 34:1 [M+FA-H]- C42H82NO8P 805.582687 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1032 16:0-18:1 PC [M+FA-H]- C42H82NO8P 805.582687 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR942 PC 34:1 [M+FA-H]- C42H82NO8P 805.582687 masses lipides attendues Inhousejuil11 NA NA +EUR1032 16:0-18:1 PC [M+FA-H]- C42H82NO8P 805.582687 masses lipides attendues Inhousejuil11 NA NA +EUR546 16 :0-18 :1 PC F3 F3 805.582925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR546 16 :0-18 :1 PC F3 NA 805.582925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR546 16 :0-18 :1 PC F3 F3 805.582925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR546 16 :0-18 :1 PC F3 NA 805.582925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR546 16 :0-18 :1 PC F3 F3 805.582925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR546 16 :0-18 :1 PC F3 NA 805.582925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR546 16 :0-18 :1 PC F3 F3 805.582925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR546 16 :0-18 :1 PC F3 F3 805.582925 standards wishlist analysés sur QTOF HMDB NA NA +EUR546 16 :0-18 :1 PC F3 F3 805.582925 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR546 16 :0-18 :1 PC F3 NA 805.582925 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR546 16 :0-18 :1 PC F3 F3 805.582925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR546 16 :0-18 :1 PC F3 F3 805.582925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +7062 coeliac toxic peptide VQGQGHQPPQQPAQL 805.8965 MH2+ Inhouse_peptide NA peptide +MJ095008 4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1,3-Bis-O-(3,4-dihydroxy-E-cinnamoyl) C38H30O20 806.133043 NA MeJP NA NA +PJ039953 GSCCCCCE C25H42N8O12S5 806.1526 NA PeJP NA NA +PJ039954 SCCCCCW C29H42N8O9S5 806.1679 NA PeJP NA NA +PJ039955 SSSCCCCD C25H42N8O14S4 806.1704 NA PeJP NA NA +PJ039956 CCCCNMM C26H46N8O9S6 806.1712 NA PeJP NA NA +PJ039957 CCCCNDF C29H42N8O11S4 806.1856 NA PeJP NA NA +PJ039958 GSTCCCCM C26H46N8O11S5 806.189 NA PeJP NA NA +MJ095009 Truxicurium(2+); Diiodide C34H52I2N2O4 806.201645 NA MeJP NA NA +PJ039959 SCCCNDY C29H42N8O13S3 806.2034 NA PeJP NA NA +PJ039960 SSSSCCCM C26H46N8O13S4 806.2067 NA PeJP NA NA +MJ095010 8-(Chloromethyl)-3,6,7,8-tetrahydro-6-[[5-[[(7-methoxy-2-benzofuranyl)carbonyl]amino]-1H-indol-2-yl]carbonyl]-4-[[(4-methyl-1-piperazinyl)carbonyl]oxy]-2-(trifluoromethyl)benzo[1,2-b:4,3-b']dipyrrole-1-carboxylic acid, Me ester C39H34ClF3N6O8 806.207874 NA MeJP NA NA +MJ095011 Phleichrome; 14,21-Diepimer, 14-O-(4-hydroxybenzoyl), 21-O-(4-hydroxyphenoxycarbonyl) C44H38O15 806.22107 NA MeJP NA NA +MJ095012 Phleichrome; 14,21-Diepimer, 14-O-(4-hydroxyphenoxycarbonyl), 21-O-(4-hydroxybenzoyl) C44H38O15 806.22107 NA MeJP NA NA +PJ039961 GCCCQMY C30H46N8O10S4 806.222 NA PeJP NA NA +MJ095013 Antibiotic U 77802; 3'''-De-Me C33H46N2O17S2 806.223789 NA MeJP NA NA +PJ039962 CCCNNNH C27H42N12O11S3 806.2258 NA PeJP NA NA +PJ039963 GGCCCNNH C27H42N12O11S3 806.2259 NA PeJP NA NA +PJ039964 SCCNDEH C28H42N10O14S2 806.2324 NA PeJP NA NA +PJ039965 GCCCCRY C29H46N10O9S4 806.2332 NA PeJP NA NA +PJ039966 GGPCCCMH C29H46N10O9S4 806.2333 NA PeJP NA NA +MJ095014 Iditol, Hexabenzoyl C48H38O12 806.236326 NA MeJP NA NA +PJ039967 PCNDDDE C29H42N8O17S 806.2389 NA PeJP NA NA +PJ039968 SSCCNMY C30H46N8O12S3 806.2398 NA PeJP NA NA +PJ039969 CDDEYY C34H42N6O15S 806.2429 NA PeJP NA NA +PJ039970 CEMMMY C32H50N6O10S4 806.2472 NA PeJP NA NA +PJ039971 GSCCDHW C32H42N10O11S2 806.2476 NA PeJP NA NA +PJ039972 GSSSCDDH C28H42N10O16S 806.2501 NA PeJP NA NA +PJ039973 GCNDMMH C29H46N10O11S3 806.251 NA PeJP NA NA +PJ039974 GPCDDDW C33H42N8O14S 806.2542 NA PeJP NA NA +PJ039975 GCCCQFF C34H46N8O9S3 806.255 NA PeJP NA NA +PJ039976 GNDDEEE C29H42N8O19 806.2567 NA PeJP NA NA +PJ039977 GSSSTCCY C30H46N8O14S2 806.2575 NA PeJP NA NA +PJ039978 GCCCKMY C31H50N8O9S4 806.2584 NA PeJP NA NA +PJ039979 CNNNNND C27H42N12O15S 806.2614 NA PeJP NA NA +PJ039980 CDEMFY C35H46N6O12S2 806.2615 NA PeJP NA NA +PJ039981 GCCCEHR C28H46N12O10S3 806.2622 NA PeJP NA NA +PJ039982 GCNDDHF C32H42N10O13S 806.2654 NA PeJP NA NA +PJ039983 CCQMHW C33H46N10O8S3 806.2663 NA PeJP NA NA +PJ039984 GDDDDDR C28H42N10O18 806.2679 NA PeJP NA NA +PJ039985 STCCQEH C29H46N10O13S2 806.2687 NA PeJP NA NA +PJ039986 SSCNEMH C29H46N10O13S2 806.2688 NA PeJP NA NA +PJ039987 GCCNHHH C30H42N14O9S2 806.2701 NA PeJP NA NA +PJ039988 NDDEEW C33H42N8O16 806.2719 NA PeJP NA NA +PJ039989 SPPCCDW C34H46N8O11S2 806.2728 NA PeJP NA NA +MJ095015 5-Methyl-5,6,7,8-tetrahydromethanopterin C31H47N6O17P 806.27353 NA MeJP NA NA +PJ039990 SSSSSSCY C30H46N8O16S 806.2753 NA PeJP NA NA +PJ039991 STCCCKY C31H50N8O11S3 806.2761 NA PeJP NA NA +PJ039992 EEMMMH C31H50N8O11S3 806.2762 NA PeJP NA NA +PJ039993 CCCHRW C32H46N12O7S3 806.2775 NA PeJP NA NA +PJ039994 SDEMYY C35H46N6O14S 806.2793 NA PeJP NA NA +PJ039995 SSCCDHR C28H46N12O12S2 806.28 NA PeJP NA NA +PJ039996 PCMMYY C36H50N6O9S3 806.2802 NA PeJP NA NA +PJ039997 GSNNDDW C32H42N10O15 806.2831 NA PeJP NA NA +PJ039998 GGGSNDDW C32H42N10O15 806.2832 NA PeJP NA NA +PJ039999 TMMMMY C33H54N6O9S4 806.2835 NA PeJP NA NA +PJ040000 GSSCMHW C33H46N10O10S2 806.284 NA PeJP NA NA +PJ040001 SPCDDDR C29H46N10O15S 806.2865 NA PeJP NA NA +PJ040002 GDDEWW C37H42N8O13 806.2872 NA PeJP NA NA +PJ040003 PPCCCER C30H50N10O10S3 806.2874 NA PeJP NA NA +PJ040004 GSPDDMW C34H46N8O13S 806.2905 NA PeJP NA NA +PJ040005 APPCCMW C35H50N8O8S3 806.2914 NA PeJP NA NA +PJ040006 GSQEEEE C30H46N8O18 806.293 NA PeJP NA NA +PJ040007 GGGTEEEE C30H46N8O18 806.2931 NA PeJP NA NA +PJ040008 GPNEEMM C31H50N8O13S2 806.2939 NA PeJP NA NA +PJ040009 PCDFYY C39H46N6O11S 806.2946 NA PeJP NA NA +PJ040010 DMMHHH C32H46N12O9S2 806.2952 NA PeJP NA NA +PJ040011 PPCCNHH C32H46N12O9S2 806.2953 NA PeJP NA NA +PJ040012 GCNNDER C28H46N12O14S 806.2977 NA PeJP NA NA +PJ040013 GGGCNDER C28H46N12O14S 806.2978 NA PeJP NA NA +PJ040014 AEMMYY C36H50N6O11S2 806.2979 NA PeJP NA NA +PJ040015 GTCCMHR C29H50N12O9S3 806.2986 NA PeJP NA NA +MJ095016 Buddlenol E; 5',5''-Dimethoxy, 4''-O-?-D-glucopyranoside C39H50O18 806.299714 NA MeJP NA NA +MJ095017 Buddlenol E; 5',5''-Dimethoxy, 4'-O-?-D-glucopyranoside C39H50O18 806.299714 NA MeJP NA NA +PJ040016 SSSTCHW C33H46N10O12S 806.3018 NA PeJP NA NA +PJ040017 DDWWW C41H42N8O10 806.3024 NA PeJP NA NA +PJ040018 CCKMHW C34H50N10O7S3 806.3026 NA PeJP NA NA +PJ040019 GSDDEER C29H46N10O17 806.3043 NA PeJP NA NA +PJ040020 GPCDEMR C30H50N10O12S2 806.3051 NA PeJP NA NA +PJ040021 GGGGSPNMM C30H50N10O12S2 806.3052 NA PeJP NA NA +PJ040022 GNNNDHH C30H42N14O13 806.3056 NA PeJP NA NA +PJ040023 SPCEWW C38H46N8O10S 806.3058 NA PeJP NA NA +MJ095018 Tawicyclamide A C39H50N8O5S3 806.306628 NA MeJP NA NA +PJ040024 SQEEEW C34H46N8O15 806.3083 NA PeJP NA NA +PJ040025 PNEMMW C35H50N8O10S2 806.3092 NA PeJP NA NA +PJ040026 DDHHHF C35H42N12O11 806.3096 NA PeJP NA NA +PJ040027 AAQEEEM C31H50N8O15S 806.3117 NA PeJP NA NA +PJ040028 SPDYYY C39H46N6O13 806.3123 NA PeJP NA NA +PJ040029 SPPNMMM C32H54N8O10S3 806.3125 NA PeJP NA NA +PJ040030 CNNDRW C32H46N12O11S 806.313 NA PeJP NA NA +PJ040031 PCMFFY C40H50N6O8S2 806.3132 NA PeJP NA NA +PJ040032 CHHHHH C33H42N16O7S 806.3144 NA PeJP NA NA +PJ040033 SSNNDDR C28H46N12O16 806.3155 NA PeJP NA NA +PJ040034 TTEMYY C36H50N6O13S 806.3157 NA PeJP NA NA +PJ040035 SSSCMHR C29H50N12O11S2 806.3164 NA PeJP NA NA +PJ040036 CLMMFY C37H54N6O8S3 806.3166 NA PeJP NA NA +PJ040037 GNNMWW C37H46N10O9S 806.317 NA PeJP NA NA +PJ040038 SDDERW C33H46N10O14 806.3195 NA PeJP NA NA +PJ040039 GGGGGGAPDY C33H46N10O14 806.3196 NA PeJP NA NA +PJ040040 PCDMRW C34H50N10O9S2 806.3204 NA PeJP NA NA +PJ040041 NEEEMR C30H50N10O14S 806.3229 NA PeJP NA NA +PJ040042 GNQYYY C38H46N8O12 806.3235 NA PeJP NA NA +PJ040043 GTEEWW C38H46N8O12 806.3236 NA PeJP NA NA +PJ040044 PPTCCMR C31H54N10O9S3 806.3238 NA PeJP NA NA +PJ040045 GPMMWW C39H50N8O7S2 806.3244 NA PeJP NA NA +PJ040046 VNEEMW C35H50N8O12S 806.3269 NA PeJP NA NA +PJ040047 EFYYW C43H46N6O10 806.3276 NA PeJP NA NA +PJ040048 PCQHHW C36H46N12O8S 806.3283 NA PeJP NA NA +PJ040049 GSKEEEE C31H50N8O17 806.3294 NA PeJP NA NA +PJ040050 GPDKEMM C32H54N8O12S2 806.3303 NA PeJP NA NA +PJ040051 GNNNNQF C32H46N12O13 806.3308 NA PeJP NA NA +PJ040052 APMYYY C40H50N6O10S 806.3309 NA PeJP NA NA +PJ040053 CNMHFR C33H50N12O8S2 806.3316 NA PeJP NA NA +PJ040054 DDDMRR C29H50N12O13S 806.3341 NA PeJP NA NA +PJ040055 GGGGGSEMR C29H50N12O13S 806.3342 NA PeJP NA NA +PJ040056 SLMMYY C37H54N6O10S2 806.3343 NA PeJP NA NA +PJ040057 SSNQWW C37H46N10O11 806.3348 NA PeJP NA NA +PJ040058 SQQQMW C34H50N10O11S 806.3381 NA PeJP NA NA +PJ040059 GEEMRW C34H50N10O11S 806.3382 NA PeJP NA NA +PJ040060 TEWWW C42H46N8O9 806.3388 NA PeJP NA NA +PJ040061 SSSSTTTH C30H50N10O16 806.3406 NA PeJP NA NA +PJ040062 GSTEEER C30H50N10O16 806.3407 NA PeJP NA NA +PJ040063 GSPEMMR C31H54N10O11S2 806.3415 NA PeJP NA NA +PJ040064 GGGGGGALMM C31H54N10O11S2 806.3416 NA PeJP NA NA +PJ040065 NDEHHR C31H46N14O12 806.342 NA PeJP NA NA +PJ040066 GVEMWW C39H50N8O9S 806.3422 NA PeJP NA NA +PJ040067 SKEEEW C35H50N8O14 806.3447 NA PeJP NA NA +PJ040068 GSCNDRR C28H50N14O12S 806.3454 NA PeJP NA NA +PJ040069 AAPTMMW C36H54N8O9S2 806.3455 NA PeJP NA NA +PJ040070 PDKMMW C36H54N8O9S2 806.3456 NA PeJP NA NA +PJ040071 AQEHHW C36H46N12O10 806.346 NA PeJP NA NA +PJ040072 PCFFFF C44H50N6O7S 806.3462 NA PeJP NA NA +PJ040073 SSPKEEM C32H54N8O14S 806.348 NA PeJP NA NA +PJ040074 AAKEEEM C32H54N8O14S 806.3481 NA PeJP NA NA +PJ040075 GLEYYY C40H50N6O12 806.3487 NA PeJP NA NA +PJ040076 GPLQMMM C33H58N8O9S3 806.3489 NA PeJP NA NA +PJ040077 SNNMRW C33H50N12O10S 806.3494 NA PeJP NA NA +PJ040078 CLMFFF C41H54N6O7S2 806.3496 NA PeJP NA NA +PJ040079 GNHFFW C41H46N10O8 806.35 NA PeJP NA NA +PJ040080 GGGHFFW C41H46N10O8 806.3501 NA PeJP NA NA +PJ040081 SSSNQER C29H50N12O15 806.3519 NA PeJP NA NA +PJ040082 NQQMMR C30H54N12O10S2 806.3528 NA PeJP NA NA +PJ040083 EMRWW C38H50N10O8S 806.3534 NA PeJP NA NA +PJ040084 STEERW C34H50N10O13 806.3559 NA PeJP NA NA +PJ040085 SPMMRW C35H54N10O8S2 806.3568 NA PeJP NA NA +PJ040086 GDHHRW C35H46N14O9 806.3573 NA PeJP NA NA +PJ040087 VMWWW C43H50N8O6S 806.3574 NA PeJP NA NA +PJ040088 DKEEMR C31H54N10O13S 806.3593 NA PeJP NA NA +PJ040089 SSLEWW C39H50N8O11 806.3599 NA PeJP NA NA +PJ040090 GGGPPEFF C39H50N8O11 806.36 NA PeJP NA NA +PJ040091 AAPMMMR C32H58N10O8S3 806.3602 NA PeJP NA NA +PJ040092 GPTCHHR C32H50N14O9S 806.3606 NA PeJP NA NA +PJ040093 AAHHWW C40H46N12O7 806.3613 NA PeJP NA NA +PJ040094 VDKEMW C36H54N8O11S 806.3633 NA PeJP NA NA +PJ040095 LYYYW C44H50N6O9 806.3639 NA PeJP NA NA +PJ040096 CNQMRR C29H54N14O9S2 806.364 NA PeJP NA NA +PJ040097 PCKHHW C37H50N12O7S 806.3647 NA PeJP NA NA +MJ095019 Muracein B C32H54N8O16 806.365777 NA MeJP NA NA +PJ040098 ATTKEEE C32H54N8O16 806.3658 NA PeJP NA NA +MJ095020 4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside, pentabenzyl C48H54O11 806.366612 NA MeJP NA NA +PJ040099 APTKEMM C33H58N8O11S2 806.3667 NA PeJP NA NA +PJ040100 GSSSQRW C33H50N12O12 806.3671 NA PeJP NA NA +PJ040101 GGGSSTRW C33H50N12O12 806.3672 NA PeJP NA NA +PJ040102 ALMFYY C41H54N6O9S 806.3673 NA PeJP NA NA +PJ040103 SEEMRR C30H54N12O12S 806.3705 NA PeJP NA NA +PJ040104 SSNKWW C38H50N10O10 806.3712 NA PeJP NA NA +MJ095021 Hispidin A; 15-Deacyl, 15-(2-methylbutanoyl) C41H58O16 806.372485 NA MeJP NA NA +PJ040105 SVEMRW C35H54N10O10S 806.3745 NA PeJP NA NA +PJ040106 GGGATKMW C35H54N10O10S 806.3746 NA PeJP NA NA +PJ040107 GPVYWW C43H50N8O8 806.3752 NA PeJP NA NA +PJ040108 SSSLEER C31H54N10O15 806.377 NA PeJP NA NA +PJ040109 GGSSDKKE C31H54N10O15 806.3771 NA PeJP NA NA +PJ040110 LQEMMR C32H58N10O10S2 806.3779 NA PeJP NA NA +PJ040111 TQEHHR C32H50N14O11 806.3784 NA PeJP NA NA +PJ040112 ATLMWW C40H54N8O8S 806.3786 NA PeJP NA NA +PJ040113 GTTTLEW C36H54N8O13 806.3811 NA PeJP NA NA +PJ040114 ASSCQRR C29H54N14O11S 806.3817 NA PeJP NA NA +PJ040115 GSSNMRR C29H54N14O11S 806.3818 NA PeJP NA NA +PJ040116 VLQMMW C37H58N8O8S2 806.3819 NA PeJP NA NA +PJ040117 GNQFRW C37H50N12O9 806.3824 NA PeJP NA NA +PJ040118 GTLKEEM C33H58N8O13S 806.3844 NA PeJP NA NA +PJ040119 SVLYYY C41H54N6O11 806.3851 NA PeJP NA NA +PJ040120 GPLKMMM C34H62N8O8S3 806.3853 NA PeJP NA NA +PJ040121 SCQKRW C34H54N12O9S 806.3858 NA PeJP NA NA +PJ040122 PRYWW C42H50N10O7 806.3864 NA PeJP NA NA +PJ040123 SSSNKER C30H54N12O14 806.3883 NA PeJP NA NA +PJ040124 NQKMMR C31H58N12O9S2 806.3891 NA PeJP NA NA +PJ040125 VDMMRR C31H58N12O9S2 806.3892 NA PeJP NA NA +PJ040126 SDHHRR C31H50N16O10 806.3896 NA PeJP NA NA +PJ040127 GCKKWW C39H54N10O7S 806.3898 NA PeJP NA NA +PJ040128 GSSDKKW C35H54N10O12 806.3923 NA PeJP NA NA +PJ040129 ALMMRW C36H58N10O7S2 806.3932 NA PeJP NA NA +PJ040130 ATHHRW C36H50N14O8 806.3936 NA PeJP NA NA +PJ040131 GGPHHFR C36H50N14O8 806.3937 NA PeJP NA NA +PJ040132 GTTLEMR C32H58N10O12S 806.3957 NA PeJP NA NA +PJ040133 TTTLWW C40H54N8O10 806.3963 NA PeJP NA NA +PJ040134 VQMHHR C33H54N14O8S 806.397 NA PeJP NA NA +PJ040135 SSSSQRR C29H54N14O13 806.3995 NA PeJP NA NA +PJ040136 TLKEMW C37H58N8O10S 806.3997 NA PeJP NA NA +PJ040137 ALFFFY C45H54N6O8 806.4003 NA PeJP NA NA +PJ040138 CNKMRR C30H58N14O8S2 806.4004 NA PeJP NA NA +PJ040139 STTLKEE C33H58N8O15 806.4022 NA PeJP NA NA +MJ095022 Ergophilone B C49H58O10 806.402998 NA MeJP NA NA +PJ040140 GVLKEMM C34H62N8O10S2 806.4031 NA PeJP NA NA +PJ040141 GSSSKRW C34H54N12O11 806.4035 NA PeJP NA NA +PJ040142 GGGGGALRY C34H54N12O11 806.4036 NA PeJP NA NA +3333 human beta-casein fr, 55-61 TQSLVYP 806.404 celiac toxic Inhouse_peptide NA peptide +PJ040143 GSTQKMR C31H58N12O11S 806.4069 NA PeJP NA NA +PJ040144 AQQKFW C39H54N10O9 806.4075 NA PeJP NA NA +PJ040145 SPVRYW C39H54N10O9 806.4076 NA PeJP NA NA +PJ040146 AMHHRR C32H54N16O7S 806.4082 NA PeJP NA NA +MJ095023 3-Hydroxy-11,13(18)-oleanadien-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?4)-?-D-glucuronopyranoside] C42H62O15 806.408871 NA MeJP NA NA +MJ095024 3-Hydroxy-11,13(18)-oleanadien-30-oic acid, 3-O-[?-D-Glucuronopyranosyl(1?2)-?-D-glucuronate] C42H62O15 806.408871 NA MeJP NA NA +PJ040147 TTLMRW C36H58N10O9S 806.4109 NA PeJP NA NA +PJ040148 GVLFWW C44H54N8O7 806.4116 NA PeJP NA NA +PJ040149 STTTLER C32H58N10O14 806.4134 NA PeJP NA NA +PJ040150 LKEMMR C33H62N10O9S2 806.4143 NA PeJP NA NA +PJ040151 GQQRRY C33H54N14O10 806.4148 NA PeJP NA NA +PJ040152 PVKMFW C41H58N8O7S 806.415 NA PeJP NA NA +PJ040153 SSTTLLW C37H58N8O12 806.4174 NA PeJP NA NA +PJ040154 GVVLQEY C37H58N8O12 806.4175 NA PeJP NA NA +PJ040155 GSTCKRR C30H58N14O10S 806.4181 NA PeJP NA NA +PJ040156 VLKMMW C38H62N8O7S2 806.4183 NA PeJP NA NA +PJ040157 GNKFRW C38H54N12O8 806.4188 NA PeJP NA NA +PJ040158 SSLLKEM C34H62N8O12S 806.4208 NA PeJP NA NA +PJ040159 SCKKRW C35H58N12O8S 806.4222 NA PeJP NA NA +PJ040160 LFRWW C43H54N10O6 806.4228 NA PeJP NA NA +PJ040161 SSTTQKR C31H58N12O13 806.4246 NA PeJP NA NA +PJ040162 SSSDKKR C31H58N12O13 806.4247 NA PeJP NA NA +MJ095025 Vingramine; N1-Me C47H58N4O8 806.425464 NA MeJP NA NA +PJ040163 TLMMRR C32H62N12O8S2 806.4255 NA PeJP NA NA +PJ040164 TTHHRR C32H54N16O9 806.426 NA PeJP NA NA +PJ040165 GSTTKKW C36H58N10O11 806.4287 NA PeJP NA NA +PJ040166 SSTLLMR C33H62N10O11S 806.432 NA PeJP NA NA +PJ040167 GSKKKEM C33H62N10O11S 806.4321 NA PeJP NA NA +PJ040168 PTLKYW C41H58N8O9 806.4327 NA PeJP NA NA +PJ040169 VKMHHR C34H58N14O7S 806.4334 NA PeJP NA NA +PJ040170 SSSSKRR C30H58N14O12 806.4359 NA PeJP NA NA +PJ040171 GPVLKMY C38H62N8O9S 806.4361 NA PeJP NA NA +PJ040172 SSSSTLLL C34H62N8O14 806.4386 NA PeJP NA NA +PJ040173 SVVLKMM C35H66N8O9S2 806.4394 NA PeJP NA NA +PJ040174 ATLLKMM C35H66N8O9S2 806.4395 NA PeJP NA NA +PJ040175 ALERRY C35H58N12O10 806.4399 NA PeJP NA NA +PJ040176 GSTKKMR C32H62N12O10S 806.4433 NA PeJP NA NA +PJ040177 GLLRYW C40H58N10O8 806.4439 NA PeJP NA NA +PJ040178 GAAKKFW C40H58N10O8 806.444 NA PeJP NA NA +MJ095026 12-Oleanene-3,16,21,22,23,28-hexol, 21-Tigloyl, 3-O-?-D-glucuronopyranoside, 16-Ac C43H66O14 806.445256 NA MeJP NA NA +MJ095027 12-Oleanene-3,16,21,22,23,28-hexol, 21-Tigloyl, 3-O-?-D-glucuronopyranoside, 22-Ac C43H66O14 806.445256 NA MeJP NA NA +MJ095028 12-Oleanene-3,16,21,22,23,28-hexol, 21-Tigloyl, 3-O-?-D-glucuronopyranoside, 28-Ac C43H66O14 806.445256 NA MeJP NA NA +MJ095029 Digoxin; 12-Deoxy, 3'''-Ac C43H66O14 806.445256 NA MeJP NA NA +MJ095030 Digoxin; 12-Deoxy, 4'''-Ac C43H66O14 806.445256 NA MeJP NA NA +C08947 Gymnemic acid I C43H66O14 806.4453 NA KEGG NA NA +PJ040179 SKKKMW C37H62N10O8S 806.4473 NA PeJP NA NA +PJ040180 SSTKKKE C33H62N10O13 806.4498 NA PeJP NA NA +PJ040181 AAKKKMM C34H66N10O8S2 806.4507 NA PeJP NA NA +PJ040182 GQKRRY C34H58N14O9 806.4512 NA PeJP NA NA +PJ040183 AALLKEY C38H62N8O11 806.4538 NA PeJP NA NA +PJ040184 AAPPPLLE C38H62N8O11 806.4539 NA PeJP NA NA +PJ040185 PVLHRW C39H58N12O7 806.4552 NA PeJP NA NA +PJ040186 TTTLLKM C35H66N8O11S 806.4572 NA PeJP NA NA +PJ040187 VVMFRR C36H62N12O7S 806.4586 NA PeJP NA NA +MJ095031 Sorangicin A C47H66O11 806.460512 NA MeJP NA NA +PJ040188 SSTTKKR C32H62N12O12 806.461 NA PeJP NA NA +PJ040189 PNKHRR C33H58N16O8 806.4624 NA PeJP NA NA +PJ040190 VLKERY C37H62N10O10 806.4651 NA PeJP NA NA +PJ040191 ATTKKKM C34H66N10O10S 806.4684 NA PeJP NA NA +MJ095032 Axinastatin 4 C42H62N8O8 806.469061 NA MeJP NA NA +PJ040192 VVLKYW C42H62N8O8 806.4691 NA PeJP NA NA +PJ040193 GVLLKMF C39H66N8O8S 806.4725 NA PeJP NA NA +PJ040194 SLLRRY C36H62N12O9 806.4763 NA PeJP NA NA +PJ040195 AKKKFW C41H62N10O7 806.4803 NA PeJP NA NA +PJ040196 LLKMFR C38H66N10O7S 806.4837 NA PeJP NA NA +PJ040197 TTTTKKK C34H66N10O12 806.4862 NA PeJP NA NA +PJ040198 GKKRRY C35H62N14O8 806.4875 NA PeJP NA NA +PJ040199 GTLLLKY C39H66N8O10 806.4902 NA PeJP NA NA +HMDB09780 PI(16:0/16:2(9Z,12Z)) C41H75O13P 806.494507 NA HMDB2010 NA NA +HMDB09798 PI(16:1(9Z)/16:1(9Z)) C41H75O13P 806.494507 NA HMDB2010 NA NA +HMDB09802 PI(16:2(9Z,12Z)/16:0) C41H75O13P 806.494507 NA HMDB2010 NA NA +PJ040200 LQKKKY C38H66N10O9 806.5015 NA PeJP NA NA +MJ095033 5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 13-O-?-D-Mannopyranoside, D-mannitol-1-yl ester C41H74O15 806.502771 NA MeJP NA NA +MJ095034 5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 13-O-?-D-Mannopyranoside, D-mannitol-2-yl ester C41H74O15 806.502771 NA MeJP NA NA +MJ095035 5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 13-O-?-D-Mannopyranoside, D-mannitol-3-yl ester C41H74O15 806.502771 NA MeJP NA NA +PJ040201 TKKKFR C37H66N12O8 806.5127 NA PeJP NA NA +MJ095036 Macrotetrolide C C45H74O12 806.518027 NA MeJP NA NA +MJ095037 Oligomycin A; 21?-Hydroxy C45H74O12 806.518027 NA MeJP NA NA +PJ040202 LLLHRR C36H66N14O7 806.5239 NA PeJP NA NA +PJ040203 AAPPLLLL C40H70N8O9 806.5266 NA PeJP NA NA +PJ040204 LKKKKY C39H70N10O8 806.5378 NA PeJP NA NA +EUR1105 SM(d18:1/22:1) [M+Na]+ C45H89N2O6P 806.627772 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1105 SM(d18:1/22:1) [M+Na]+ C45H89N2O6P 806.627772 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1105 SM(d18:1/22:1) [M+Na]+ C45H89N2O6P 806.627772 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1105 SM(d18:1/22:1) [M+Na]+ C45H89N2O6P 806.627772 masses lipides attendues Inhousejuil11 NA NA +EUR1052 SM(d18:0/20:0) [M+FA-H]- C43H89N2O6P 806.650706 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1052 SM(d18:0/20:0) [M+FA-H]- C43H89N2O6P 806.650706 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1052 SM(d18:0/20:0) [M+FA-H]- C43H89N2O6P 806.650706 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1052 SM(d18:0/20:0) [M+FA-H]- C43H89N2O6P 806.650706 masses lipides attendues Inhousejuil11 NA NA +MJ095038 1,2-Diphytanylglyceryl-3-phosphorylglycerol C46H95O8P 806.676456 NA MeJP NA NA +MJ095039 20(29)-Lupen-3-ol, 3-Acetoxydocosanoyl C54H94O4 806.715211 NA MeJP NA NA +MJ095040 3-Hydroxy-12-ursen-28-oic acid, 3-O-Tetracosanoyl C54H94O4 806.715211 NA MeJP NA NA +HMDB05356 TG(16:0/16:0/16:0)[iso] C51H98O6 806.736328 NA HMDB2010 NA NA +HMDB10413 TG(16:0/14:0/18:0)[iso6] C51H98O6 806.736328 NA HMDB2010 NA NA +HMDB05356 Tripalmitin C51H98O6 806.73633 http://www.hmdb.ca/metabolites/HMDB05356 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05356 Tripalmitin C51H98O6 806.73633 http://www.hmdb.ca/metabolites/HMDB05356 HMDB NA NA +HMDB05356 Tripalmitin C51H98O6 806.73633 http://www.hmdb.ca/metabolites/HMDB05356 PFEM_hmdb_metabocards_blood NA blood +HMDB05356 Tripalmitin C51H98O6 806.73633 HMDB05356 PFEM_hmdb_metabocards_official NA NA +MJ095041 Glycerol trihexadecanoate C51H98O6 806.73634 NA MeJP NA NA +MJ095042 Ioglucol C18H24I3N3O9 806.864659 NA MeJP NA NA +MJ095043 Ioglunide C18H24I3N3O9 806.864659 NA MeJP NA NA +MJ095044 Ioversol C18H24I3N3O9 806.864659 NA MeJP NA NA +8100 peptide derived from oyster (Crassostrea gigas) LKQELEDLLEKQE 806.91745 MH2+ Inhouse_peptide NA peptide +3915 citropin 1,1 from Australian frog GLFDVIKKVASVIGGL~ 806.9854 MH2+ Inhouse_peptide NA peptide +3923 aurein 2,1 GLLDIVKKVVGAFGSL~ 806.9854 MH2+ Inhouse_peptide NA peptide +3925 aurein 2,2 GLFDIVKKVVGALGSL~ 806.9854 MH2+ Inhouse_peptide NA peptide +3927 aurein 2,3, GLFDIVKKVVGAIGSL~ 806.9854 MH2+ Inhouse_peptide NA peptide +4015 Citropin 1,1 GLFDVIKKVASVIGGL~ 806.9854 MH2+ Inhouse_peptide NA peptide +3910 citropin 1,1 from Australian frog GLFDVIKKVASVIGGL~ 806.98545 MH2+ Inhouse_peptide NA peptide +PJ040205 GCCCCCCN C24H41N9O10S6 807.1301 NA PeJP NA NA +PJ040206 CCCCDMM C26H45N7O10S6 807.1552 NA PeJP NA NA +MJ095045 UDP-N-acetylmuramoyl-L-alanine C25H39N5O21P2 807.161276 NA MeJP NA NA +PJ040207 CCCCDDF C29H41N7O12S4 807.1696 NA PeJP NA NA +PJ040208 CCCCCHH C27H41N11O8S5 807.1743 NA PeJP NA NA +PJ040209 SCCCDDY C29H41N7O14S3 807.1874 NA PeJP NA NA +PJ040210 SCCCMMM C27H49N7O9S6 807.1916 NA PeJP NA NA +PJ040211 GCCCEMY C30H45N7O11S4 807.206 NA PeJP NA NA +PJ040212 CCCNNDH C27H41N11O12S3 807.2099 NA PeJP NA NA +PJ040213 SCCDDEH C28H41N9O15S2 807.2164 NA PeJP NA NA +PJ040214 PCCCDMH C29H45N9O10S4 807.2173 NA PeJP NA NA +PJ040215 CCCMYW C34H45N7O8S4 807.2213 NA PeJP NA NA +PJ040216 PCDDDDE C29H41N7O18S 807.2229 NA PeJP NA NA +PJ040217 SSCCDMY C30H45N7O13S3 807.2238 NA PeJP NA NA +PJ040218 VCCCCMF C31H49N7O8S5 807.2246 NA PeJP NA NA +PJ040219 ACCCMMF C31H49N7O8S5 807.2247 NA PeJP NA NA +PJ040220 GCDDMMH C29H45N9O12S3 807.235 NA PeJP NA NA +PJ040221 GPCCCYY C34H45N7O10S3 807.239 NA PeJP NA NA +PJ040222 GDDDEEE C29H41N7O20 807.2407 NA PeJP NA NA +PJ040223 GTCCMMY C31H49N7O10S4 807.2424 NA PeJP NA NA +PJ040224 CNNNNDD C27H41N11O16S 807.2454 NA PeJP NA NA +PJ040225 SCCNNMH C28H45N11O11S3 807.2462 NA PeJP NA NA +PJ040226 GGSCCNMH C28H45N11O11S3 807.2463 NA PeJP NA NA +PJ040227 GCDDDHF C32H41N9O14S 807.2494 NA PeJP NA NA +PJ040228 CCEMHW C33H45N9O9S3 807.2503 NA PeJP NA NA +PJ040229 SNNDDDE C28H41N9O19 807.2519 NA PeJP NA NA +PJ040230 SSCDEMH C29H45N9O14S2 807.2528 NA PeJP NA NA +PJ040231 SPCCMMH C30H49N9O9S4 807.2536 NA PeJP NA NA +PJ040232 GCCDHHH C30H41N13O10S2 807.2541 NA PeJP NA NA +PJ040233 CCCFFW C38H45N7O7S3 807.2543 NA PeJP NA NA +PJ040234 DDDEEW C33H41N7O17 807.2559 NA PeJP NA NA +PJ040235 CNDMYY C34H45N7O12S2 807.2568 NA PeJP NA NA +PJ040236 SPDDDEM C30H45N7O17S 807.2593 NA PeJP NA NA +PJ040237 SSSCMMY C31H49N7O12S3 807.2601 NA PeJP NA NA +PJ040238 PPCDDMM C31H49N7O12S3 807.2602 NA PeJP NA NA +PJ040239 GSSSCCQH C28H45N11O13S2 807.264 NA PeJP NA NA +PJ040240 GSNDDDW C32H41N9O16 807.2672 NA PeJP NA NA +PJ040241 GPCCNEW C33H45N9O11S2 807.268 NA PeJP NA NA +PJ040242 GNNDEEM C29H45N9O16S 807.2705 NA PeJP NA NA +PJ040243 GGGGGDEEM C29H45N9O16S 807.2706 NA PeJP NA NA +PJ040244 GSDMMMH C30H49N9O11S3 807.2714 NA PeJP NA NA +PJ040245 ACCYYW C38H45N7O9S2 807.272 NA PeJP NA NA +PJ040246 GSSCEYY C34H45N7O14S 807.2745 NA PeJP NA NA +PJ040247 PPCDDDF C34H45N7O14S 807.2746 NA PeJP NA NA +PJ040248 CNMMFY C35H49N7O9S3 807.2754 NA PeJP NA NA +PJ040249 GSEEEEE C30H45N7O19 807.2771 NA PeJP NA NA +PJ040250 GPDEEMM C31H49N7O14S2 807.2779 NA PeJP NA NA +PJ040251 GCCNQHF C32H45N11O10S2 807.2793 NA PeJP NA NA +PJ040252 SCNNNQE C28H45N11O15S 807.2817 NA PeJP NA NA +PJ040253 GCNDDER C28H45N11O15S 807.2818 NA PeJP NA NA +PJ040254 SCCCQKH C29H49N11O10S3 807.2826 NA PeJP NA NA +PJ040255 PCCNWW C37H45N9O8S2 807.2833 NA PeJP NA NA +PJ040256 NNDEMW C33H45N9O13S 807.2858 NA PeJP NA NA +PJ040257 TCMMHW C34H49N9O8S3 807.2867 NA PeJP NA NA +PJ040258 SSNNEEE C29H45N9O18 807.2883 NA PeJP NA NA +PJ040259 SSSEMMH C30H49N9O13S2 807.2891 NA PeJP NA NA +PJ040260 SPNNDMM C30H49N9O13S2 807.2892 NA PeJP NA NA +PJ040261 GNNDDHH C30H41N13O14 807.2896 NA PeJP NA NA +PJ040262 GGGGGDDHH C30H41N13O14 807.2897 NA PeJP NA NA +PJ040263 SSCYYW C38H45N7O11S 807.2898 NA PeJP NA NA +PJ040264 QMMMMH C31H53N9O8S4 807.29 NA PeJP NA NA +PJ040265 GSCMHHH C31H45N13O9S2 807.2905 NA PeJP NA NA +PJ040266 SEEEEW C34H45N7O16 807.2923 NA PeJP NA NA +PJ040267 PDEMMW C35H49N7O11S2 807.2932 NA PeJP NA NA +MJ095046 Perdeacyleuojaponin; 9-(2-Acetoxy-2-methylpropanoyl), 1,6,8-tri-Ac C38H49NO18 807.294963 NA MeJP NA NA +PJ040268 AAEEEEM C31H49N7O16S 807.2957 NA PeJP NA NA +PJ040269 SPPDMMM C32H53N7O11S3 807.2965 NA PeJP NA NA +PJ040270 CNDDRW C32H45N11O12S 807.297 NA PeJP NA NA +PJ040271 SSNDDDR C28H45N11O17 807.2995 NA PeJP NA NA +PJ040272 SPCCNER C29H49N11O12S2 807.3004 NA PeJP NA NA +PJ040273 GNDMWW C37H45N9O10S 807.301 NA PeJP NA NA +PJ040274 GGGDMWW C37H45N9O10S 807.3011 NA PeJP NA NA +PJ040275 CMMMHR C30H53N11O7S4 807.3013 NA PeJP NA NA +PJ040276 GSSNEEW C33H45N9O15 807.3035 NA PeJP NA NA +PJ040277 GGGSSEEW C33H45N9O15 807.3036 NA PeJP NA NA +PJ040278 GSPCQMW C34H49N9O10S2 807.3044 NA PeJP NA NA +PJ040279 DEEEMR C30H49N9O15S 807.3069 NA PeJP NA NA +PJ040280 PDDEFW C38H45N7O13 807.3076 NA PeJP NA NA +PJ040281 GTTMMMH C31H53N9O10S3 807.3078 NA PeJP NA NA +PJ040282 SSTCHHH C31H45N13O11S 807.3082 NA PeJP NA NA +PJ040283 GGSPCNHH C31H45N13O11S 807.3083 NA PeJP NA NA +PJ040284 CNMFFF C39H49N7O8S2 807.3084 NA PeJP NA NA +PJ040285 VDEEMW C35H49N7O13S 807.3109 NA PeJP NA NA +PJ040286 GCNNNMR C28H49N13O11S2 807.3116 NA PeJP NA NA +PJ040287 GGGGGGGCMR C28H49N13O11S2 807.3117 NA PeJP NA NA +PJ040288 PCEHHW C36H45N11O9S 807.3123 NA PeJP NA NA +PJ040289 ATTEEEE C31H49N7O18 807.3134 NA PeJP NA NA +PJ040290 APTEEMM C32H53N7O13S2 807.3143 NA PeJP NA NA +PJ040291 SSSNNNW C32H45N11O14 807.3148 NA PeJP NA NA +PJ040292 APPMMMM C33H57N7O8S4 807.3152 NA PeJP NA NA +PJ040293 GCCNKHF C33H49N11O9S2 807.3156 NA PeJP NA NA +PJ040294 GSPCCRW C33H49N11O9S2 807.3157 NA PeJP NA NA +PJ040295 CQWWW C41H45N9O7S 807.3163 NA PeJP NA NA +PJ040296 ASNDDMR C29H49N11O14S 807.3181 NA PeJP NA NA +PJ040297 GSNDEMR C29H49N11O14S 807.3182 NA PeJP NA NA +PJ040298 SSNEWW C37H45N9O12 807.3188 NA PeJP NA NA +PJ040299 GPCNMMR C30H53N11O9S3 807.319 NA PeJP NA NA +PJ040300 GMMHFW C38H49N9O7S2 807.3197 NA PeJP NA NA +PJ040301 SQQEMW C34H49N9O12S 807.3222 NA PeJP NA NA +PJ040302 NYYYW C42H45N7O10 807.3228 NA PeJP NA NA +PJ040303 CQHHHF C35H45N13O8S 807.3235 NA PeJP NA NA +PJ040304 SSNDKEE C30H49N9O17 807.3247 NA PeJP NA NA +PJ040305 STTTMMH C31H53N9O12S2 807.3255 NA PeJP NA NA +PJ040306 GGGVQEMM C31H53N9O12S2 807.3256 NA PeJP NA NA +PJ040307 DDEHHR C31H45N13O13 807.326 NA PeJP NA NA +PJ040308 PPDMYW C39H49N7O10S 807.3262 NA PeJP NA NA +PJ040309 KMMMMH C32H57N9O7S4 807.3264 NA PeJP NA NA +PJ040310 SSSTTYY C35H49N7O15 807.3287 NA PeJP NA NA +PJ040311 GSCDDRR C28H49N13O13S 807.3294 NA PeJP NA NA +PJ040312 TCKMYY C36H53N7O10S2 807.3296 NA PeJP NA NA +PJ040313 NNNNFW C36H45N11O11 807.33 NA PeJP NA NA +PJ040314 GGGGGGNFW C36H45N11O11 807.3301 NA PeJP NA NA +PJ040315 APCCCRR C29H53N13O8S3 807.3303 NA PeJP NA NA +PJ040316 GTLEEEM C32H53N7O15S 807.3321 NA PeJP NA NA +PJ040317 GPLEMMM C33H57N7O10S3 807.3329 NA PeJP NA NA +PJ040318 SNDMRW C33H49N11O11S 807.3334 NA PeJP NA NA +PJ040319 GSSWWW C41H45N9O9 807.3341 NA PeJP NA NA +PJ040320 SSSNEER C29H49N11O16 807.3359 NA PeJP NA NA +PJ040321 NQEMMR C30H53N11O11S2 807.3368 NA PeJP NA NA +PJ040322 GTQMWW C38H49N9O9S 807.3374 NA PeJP NA NA +PJ040323 GSSDKEW C34H49N9O14 807.3399 NA PeJP NA NA +PJ040324 VNQMMW C35H53N9O9S2 807.3408 NA PeJP NA NA +PJ040325 SNQHHW C35H45N13O10 807.3413 NA PeJP NA NA +2603 tachykinin family from white shrimp Penaeus vannam ASFSPWGG 807.342 antibacterial Inhouse_peptide NA peptide +PJ040326 GSQKEEM C31H53N9O14S 807.3433 NA PeJP NA NA +PJ040327 PVDEYW C39H49N7O12 807.3439 NA PeJP NA NA +PJ040328 GPPDEFF C39H49N7O12 807.344 NA PeJP NA NA +PJ040329 GPNKMMM C32H57N9O9S3 807.3442 NA PeJP NA NA +PJ040330 QQQMHH C32H49N13O10S 807.3446 NA PeJP NA NA +PJ040331 GGAAQMHH C32H49N13O10S 807.3447 NA PeJP NA NA +PJ040332 PPMMFW C40H53N7O7S2 807.3448 NA PeJP NA NA +C11231 Docetaxel anhydrous C43H53NO14 807.3466 NA KEGG NA NA +MJ095047 6(17),11-Jatrophadiene-2,3,5,7,8,9,14,15-octol, 9-(3-Pyridinecarbonyl), 3-benzoyl, 7-(2-methylpropanoyl), 2,5,14-tri-Ac C43H53NO14 807.346605 NA MeJP NA NA +MJ095048 Docetaxel C43H53NO14 807.346605 NA MeJP NA NA +PJ040333 GSSSSNNR C28H49N13O15 807.3471 NA PeJP NA NA +PJ040334 GGGGGSSSSR C28H49N13O15 807.3472 NA PeJP NA NA +PJ040335 TLEEMW C36H53N7O12S 807.3473 NA PeJP NA NA +PJ040336 CNEMRR C29H53N13O10S2 807.348 NA PeJP NA NA +PJ040337 PLMMMW C37H57N7O7S3 807.3482 NA PeJP NA NA +PJ040338 GTCRWW C37H49N11O8S 807.3487 NA PeJP NA NA +PJ040339 STTLEEE C32H53N7O17 807.3498 NA PeJP NA NA +PJ040340 GVLEEMM C33H57N7O12S2 807.3507 NA PeJP NA NA +PJ040341 NQQQQY C33H49N11O13 807.3511 NA PeJP NA NA +PJ040342 GSSSERW C33H49N11O13 807.3512 NA PeJP NA NA +PJ040343 GQMMRW C34H53N11O8S2 807.352 NA PeJP NA NA +PJ040344 GSPHHHH C34H45N15O9 807.3525 NA PeJP NA NA +PJ040345 CKWWW C42H49N9O6S 807.3527 NA PeJP NA NA +PJ040346 GSTQEMR C30H53N11O13S 807.3545 NA PeJP NA NA +PJ040347 GGGGGGSTKM C30H53N11O13S 807.3546 NA PeJP NA NA +PJ040348 SSDKWW C38H49N9O11 807.3552 NA PeJP NA NA +PJ040349 APCCKMR C31H57N11O8S3 807.3554 NA PeJP NA NA +PJ040350 NNMHHR C31H49N15O9S 807.3559 NA PeJP NA NA +PJ040351 SQKEMW C35H53N9O11S 807.3585 NA PeJP NA NA +PJ040352 TNKEMW C35H53N9O11S 807.3586 NA PeJP NA NA +PJ040353 PPDFFW C43H49N7O9 807.3592 NA PeJP NA NA +PJ040354 CCDRRR C28H53N15O9S2 807.3593 NA PeJP NA NA +PJ040355 CKHHHF C36H49N13O7S 807.3599 NA PeJP NA NA +PJ040356 SSTQKEE C31H53N9O16 807.361 NA PeJP NA NA +PJ040357 GGSTTKEE C31H53N9O16 807.3611 NA PeJP NA NA +PJ040358 LEEMMR C32H57N9O11S2 807.3619 NA PeJP NA NA +PJ040359 NNNQRY C32H49N13O12 807.3624 NA PeJP NA NA +PJ040360 PVEMFW C40H53N7O9S 807.3626 NA PeJP NA NA +PJ040361 GCMRRW C33H53N13O7S2 807.3633 NA PeJP NA NA +PJ040362 GPTLEEY C36H53N7O14 807.3651 NA PeJP NA NA +PJ040363 GSSDMRR C29H53N13O12S 807.3658 NA PeJP NA NA +PJ040364 APPVMMY C37H57N7O9S2 807.3659 NA PeJP NA NA +PJ040365 VLEMMW C37H57N7O9S2 807.366 NA PeJP NA NA +PJ040366 SSSRWW C37H49N11O10 807.3664 NA PeJP NA NA +PJ040367 SSLLEEM C33H57N7O14S 807.3684 NA PeJP NA NA +PJ040368 SPVLMMM C34H61N7O9S3 807.3693 NA PeJP NA NA +PJ040369 STQMRW C34H53N11O10S 807.3698 NA PeJP NA NA +PJ040370 AAQFWW C42H49N9O8 807.3704 NA PeJP NA NA +PJ040371 GGGVFWW C42H49N9O8 807.3705 NA PeJP NA NA +PJ040372 SSSDKER C30H53N11O15 807.3723 NA PeJP NA NA +PJ040373 NKEMMR C31H57N11O10S2 807.3732 NA PeJP NA NA +PJ040374 GSSQHHR C31H49N15O11 807.3736 NA PeJP NA NA +PJ040375 GGGGGPNHR C31H49N15O11 807.3737 NA PeJP NA NA +PJ040376 GTKMWW C39H53N9O8S 807.3738 NA PeJP NA NA +PJ040377 GSTTKEW C35H53N9O13 807.3763 NA PeJP NA NA +PJ040378 VNKMMW C36H57N9O8S2 807.3772 NA PeJP NA NA +PJ040379 SKHHHY C36H49N13O9 807.3776 NA PeJP NA NA +PJ040380 SNKHHW C36H49N13O9 807.3777 NA PeJP NA NA +PJ040381 GSKKEEM C32H57N9O13S 807.3797 NA PeJP NA NA +PJ040382 PTLEYW C40H53N7O11 807.3803 NA PeJP NA NA +PJ040383 APCKKMM C33H61N9O8S3 807.3806 NA PeJP NA NA +PJ040384 STCRRW C33H53N13O9S 807.381 NA PeJP NA NA +PJ040385 NFRWW C41H49N11O7 807.3817 NA PeJP NA NA +PJ040386 SSSSERR C29H53N13O14 807.3835 NA PeJP NA NA +PJ040387 GPVLEMY C37H57N7O11S 807.3837 NA PeJP NA NA +PJ040388 SQMMRR C30H57N13O9S2 807.3844 NA PeJP NA NA +PJ040389 VVMHHW C38H53N11O7S 807.3851 NA PeJP NA NA +PJ040390 ATLLEMM C34H61N7O11S2 807.3871 NA PeJP NA NA +PJ040391 GSTTTRW C34H53N11O12 807.3875 NA PeJP NA NA +PJ040392 GGVQERY C34H53N11O12 807.3876 NA PeJP NA NA +PJ040393 GKMMRW C35H57N11O7S2 807.3884 NA PeJP NA NA +PJ040394 LQHHHH C35H49N15O8 807.3889 NA PeJP NA NA +PJ040395 GSTKEMR C31H57N11O12S 807.3909 NA PeJP NA NA +PJ040396 STTKWW C39H53N9O10 807.3916 NA PeJP NA NA +MJ095049 Perinereis vancaurica Myomodulin C32H61N11O7S3 807.391755 NA MeJP NA NA +PJ040397 CQKHHR C32H53N15O8S 807.3923 NA PeJP NA NA +PJ040398 SKKEMW C36H57N9O10S 807.3949 NA PeJP NA NA +PJ040399 GGGPVKMY C36H57N9O10S 807.395 NA PeJP NA NA +PJ040400 PPVFYW C44H53N7O8 807.3956 NA PeJP NA NA +PJ040401 SSTKKEE C32H57N9O15 807.3974 NA PeJP NA NA +PJ040402 AAKKEMM C33H61N9O10S2 807.3983 NA PeJP NA NA +PJ040403 GQERRY C33H53N13O11 807.3988 NA PeJP NA NA +PJ040404 PVLMYW C41H57N7O8S 807.399 NA PeJP NA NA +PJ040405 AALLEEY C37H57N7O13 807.4015 NA PeJP NA NA +PJ040406 GSTTMRR C30H57N13O11S 807.4021 NA PeJP NA NA +PJ040407 ASSTMRR C30H57N13O11S 807.4022 NA PeJP NA NA +PJ040408 GPLLMMF C38H61N7O8S2 807.4023 NA PeJP NA NA +PJ040409 GVQRYW C38H53N11O9 807.4028 NA PeJP NA NA +PJ040410 TTTLLEM C34H61N7O13S 807.4048 NA PeJP NA NA +PJ040411 GLLLMMM C35H65N7O8S3 807.4057 NA PeJP NA NA +PJ040412 STKMRW C35H57N11O9S 807.4062 NA PeJP NA NA +PJ040413 AAKFWW C43H53N9O7 807.4068 NA PeJP NA NA +PJ040414 SSTTKER C31H57N11O14 807.4087 NA PeJP NA NA +PJ040415 DKKMMR C32H61N11O9S2 807.4095 NA PeJP NA NA +PJ040416 AATKMMR C32H61N11O9S2 807.4096 NA PeJP NA NA +PJ040417 PNEHRR C32H53N15O10 807.41 NA PeJP NA NA +PJ040418 PCKKFW C40H57N9O7S 807.4102 NA PeJP NA NA +PJ040419 SSSTLKW C36H57N9O12 807.4127 NA PeJP NA NA +PJ040420 CLKKMW C37H61N9O7S2 807.4136 NA PeJP NA NA +PJ040421 QRRYW C37H53N13O8 807.414 NA PeJP NA NA +PJ040422 GGPVHRW C37H53N13O8 807.4141 NA PeJP NA NA +PJ040423 ATTKKEM C33H61N9O12S 807.4161 NA PeJP NA NA +PJ040424 VVLEYW C41H57N7O10 807.4167 NA PeJP NA NA +PJ040425 AQMFRR C34H57N13O8S 807.4174 NA PeJP NA NA +PJ040426 SSTTTRR C30H57N13O13 807.4199 NA PeJP NA NA +PJ040427 APTLLMY C38H61N7O10S 807.4201 NA PeJP NA NA +PJ040428 SKMMRR C31H61N13O8S2 807.4208 NA PeJP NA NA +PJ040429 STLLLMM C35H65N7O10S2 807.4235 NA PeJP NA NA +PJ040430 VNKERY C35H57N11O11 807.4239 NA PeJP NA NA +PJ040431 GGGGAAKKY C35H57N11O11 807.424 NA PeJP NA NA +PJ040432 GPHRRW C36H53N15O7 807.4253 NA PeJP NA NA +PJ040433 SSSLKMR C32H61N11O11S 807.4273 NA PeJP NA NA +PJ040434 SPKKYW C40H57N9O9 807.4279 NA PeJP NA NA +PJ040435 ALQKYW C40H57N9O9 807.428 NA PeJP NA NA +PJ040436 CKKHHR C33H57N15O7S 807.4286 NA PeJP NA NA +PJ040437 ACFRRR C33H57N15O7S 807.4287 NA PeJP NA NA +PJ040438 AAPKKMY C37H61N9O9S 807.4313 NA PeJP NA NA +PJ040439 PVLFFW C45H57N7O7 807.432 NA PeJP NA NA +PJ040440 TTTTKKE C33H61N9O14 807.4338 NA PeJP NA NA +8291 ACE inhibitor PGPLGLTGP 807.434 NA ;SYN:4-(2-amino-2-carboxyethyl)-1-(5-amino-5-carboxypentyl)-3-(3-amino-3-carboxypropyl)-5-hydroxy-Pyridinium inner salt stereoisomer; deoxipyridinoline; deoxy-pyridinoline; deoxypiridinoline; deoxypirydynoline; deoxypyridinolone; deoxypyridoline; desoxypyridinoline; Lysylpyridinoline; N-(5-Amino-5-carboxypentyl)-3-hydroxy-4-(2-amino-2-carboxyethyl)-5-(3-amino-3-carboxypropyl)pyridineH2Blood; Urine Inhouse_peptide NA peptide +PJ040441 GTLKKMM C34H65N9O9S2 807.4347 NA PeJP NA NA +PJ040442 GKERRY C34H57N13O10 807.4352 NA PeJP NA NA +MJ095050 Mollamide C42H61N7O7S 807.435318 NA MeJP NA NA +PJ040443 VLLMFW C42H61N7O7S 807.4354 NA PeJP NA NA +8181 peptide derived from bovine k-casein (18û24) FSDKIAK 807.4359 antibacterial Inhouse_peptide NA peptide +8266 f(18-24) of bovine kappa casein FSDKIAK 807.4359 NA ;SYN:(-)-2-Pyrrolidone-5-carboxylate; (-)-2-Pyrrolidone-5-carboxylic acid; (-)-Pyroglutamate; (-)-Pyroglutamic acid; (5S)-2-Oxopyrrolidine-5-carboxylate; (5S)-2-Oxopyrrolidine-5-carboxylic acid; (S)-(-)-2-Pyrrolidone-5-carboxylate; (S)-(-)-2-Pyrrolidone-5-carboxylic acid; (S)-(-)-g-Butyrolactam-g-carboxylate; (S)-(-)-g-Butyrolactam-g-carboxylic acid; (S)-2-Pyrrolidone-5-carboxylate; (S)-2-Pyrrolidone-5-carboxylic acid; (S)-5-Oxo-2-pyrrolidinecarboxylate; (S)-5-Oxo-2-pyrrolidinecarboxylic acid; (S)-Pyroglutamate; (S)-Pyroglutamic acid; 2-L-Pyrrolidone-5-carboxylate; 2-L-Pyrrolidone-5-carboxylic acid; 2-Oxopyrrolidine-5(S)-carboxylate; 2-Oxopyrrolidine-5(S)-carboxylic acid; 2-Pyrrolidinone-5-carboxylate; 2-Pyrrolidinone-5-carboxylic acid; 5-Carboxy-2-pyrrolidinone; 5-Oxo-L-proline; 5-L-oxoproline; 5-Oxoproline; 5-Pyrrolidinone-2-carboxylate; 5-Pyrrolidinone-2-carboxylic acid; Ajidew A 100; Glutimate; Glutimic acid; Glutiminate; Glutiminic acid; L-2-Pyrrolidone-5-carboxylate; L-2-Pyrrolidone-5-carboxylic acid; L-5-Carboxy-2-pyrrolidinone; L-5-Oxo-2-pyrrolidinecarboxylate; L-5-Oxo-2-pyrrolidinecarboxylic acid; L-5-Oxoproline; L-Glutamic acid g-lactam; L-Glutimate; L-Glutimic acid; L-Glutiminate; L-Glutiminic acid; L-Pyroglutamate; L-Pyroglutamic acid; L-Pyrrolidinonecarboxylate; L-Pyrrolidinonecarboxylic acid; L-Pyrrolidonecarboxylate; L-Pyrrolidonecarboxylic acid; Oxoproline; Oxopyrrolidinecarboxylate; Oxopyrrolidinecarboxylic acid; Pidolate; Pidolic acid; Pidolidone; Pyroglutamate; Pyroglutamic acid; Pyrrolidinonecarboxylate; Pyrrolidinonecarboxylic acid; Pyrrolidone-5-carboxylate; Pyrrolidone-5-carboxylic acid; Pyrrolidonecarboxylic acid; (S)-(-)-gamma-Butyrolactam-gamma-carboxylate; (S)-(-)-gamma-Butyrolactam-gamma-carboxylic acidH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ040444 GTLLLEY C38H61N7O12 807.4378 NA PeJP NA NA +PJ040445 VVVVTEY C38H61N7O12 807.4379 NA PeJP NA NA +PJ040446 GVKRYW C39H57N11O8 807.4392 NA PeJP NA NA +PJ040447 VQKMFR C36H61N11O8S 807.4426 NA PeJP NA NA +PJ040448 TTTTTKR C32H61N11O13 807.445 NA PeJP NA NA +PJ040449 GSSSSKKK C32H61N11O13 807.4451 NA PeJP NA NA +PJ040450 ACCKKKK C33H65N11O8S2 807.4459 NA PeJP NA NA +PJ040451 GTRRRY C33H57N15O9 807.4464 NA PeJP NA NA +PJ040452 LQKKEY C37H61N9O11 807.4491 NA PeJP NA NA +PJ040453 KRRYW C38H57N13O7 807.4504 NA PeJP NA NA +PJ040454 STTLKKM C34H65N9O11S 807.4524 NA PeJP NA NA +PJ040455 VTTTKKM C34H65N9O11S 807.4525 NA PeJP NA NA +PJ040456 TLLLYW C42H61N7O9 807.4531 NA PeJP NA NA +PJ040457 AKMFRR C35H61N13O7S 807.4538 NA PeJP NA NA +PJ040458 GVLLLMY C39H65N7O9S 807.4565 NA PeJP NA NA +PJ040459 SPHRRR C32H57N17O8 807.4576 NA PeJP NA NA +PJ040460 VDKKRY C36H61N11O10 807.4603 NA PeJP NA NA +PJ040461 SSCKKKK C33H65N11O10S 807.4637 NA PeJP NA NA +PJ040462 ALKKYW C41H61N9O8 807.4643 NA PeJP NA NA +PJ040463 PPVVLHF C41H61N9O8 807.4644 NA PeJP NA NA +PJ040464 LLLMRY C38H65N9O8S 807.4677 NA PeJP NA NA +PJ040465 SVKRRY C35H61N13O9 807.4716 NA PeJP NA NA +PJ040466 SSLLLLY C39H65N7O11 807.4742 NA PeJP NA NA +PJ040467 PLKKHW C40H61N11O7 807.4756 NA PeJP NA NA +MJ095051 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?6)-2-acetamido-2-deoxy-?-D-glucopyranoside] C43H69NO13 807.476891 NA MeJP NA NA +MJ095052 Ascomycin; 8S-Hydroxy C43H69NO13 807.476891 NA MeJP NA NA +MJ095053 Pitipeptolide A C44H65N5O9 807.478228 NA MeJP NA NA +PJ040468 VKKMFR C37H65N11O7S 807.4789 NA PeJP NA NA +PJ040469 VLQHRR C34H61N15O8 807.4828 NA PeJP NA NA +PJ040470 LKKKEY C38H65N9O10 807.4855 NA PeJP NA NA +PJ040471 GVLLLFF C43H65N7O8 807.4895 NA PeJP NA NA +PJ040472 ALHRRR C33H61N17O7 807.494 NA PeJP NA NA +PJ040473 TLKKRY C37H65N11O9 807.4967 NA PeJP NA NA +PJ040474 LLLFFR C42H65N9O7 807.5007 NA PeJP NA NA +HMDB12362 PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C44H74NO10P 807.505005 NA HMDB2010 NA NA +HMDB12405 PS(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) C44H74NO10P 807.505005 NA HMDB2010 NA NA +HMDB12415 PS(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) C44H74NO10P 807.505005 NA HMDB2010 NA NA +HMDB12425 PS(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) C44H74NO10P 807.505005 NA HMDB2010 NA NA +HMDB12435 PS(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)) C44H74NO10P 807.505005 NA HMDB2010 NA NA +HMDB12442 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0) C44H74NO10P 807.505005 NA HMDB2010 NA NA +PJ040475 GPPLLRR C36H65N13O8 807.5079 NA PeJP NA NA +PJ040476 VLKHRR C35H65N15O7 807.5192 NA PeJP NA NA +PJ040477 SLLLLLH C39H69N9O9 807.5219 NA PeJP NA NA +PJ040478 PPVVLKR C38H69N11O8 807.5331 NA PeJP NA NA +HMDB12314 3-O-Sulfogalactosylceramide (d18:1/18:0) C42H81NO11S 807.55304 NA HMDB2010 NA NA +PJ040479 PPLLLKK C40H73N9O8 807.5582 NA PeJP NA NA +EUR965 PC 36:2 [M+Na]+ C44H84NO8P 807.575403 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR965 PC 36:2 [M+Na]+ C44H84NO8P 807.575403 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR965 PC 36:2 [M+Na]+ C44H84NO8P 807.575403 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR965 PC 36:2 [M+Na]+ C44H84NO8P 807.575403 masses lipides attendues Inhousejuil11 NA NA +EUR999 PC 38:5 monoisotopic mass C46H82NO8P 807.577807 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR999 PC 38:5 monoisotopic mass C46H82NO8P 807.577807 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR999 PC 38:5 monoisotopic mass C46H82NO8P 807.577807 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR999 PC 38:5 monoisotopic mass C46H82NO8P 807.577807 masses lipides attendues Inhousejuil11 NA NA +HMDB07989 PC(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB07990 PC(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08021 PC(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08050 PC(18:0/20:5(5Z,8Z,11Z,14Z,17Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08081 PC(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08082 PC(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08114 PC(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08115 PC(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08139 PC(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08146 PC(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08177 PC(18:3(6Z,9Z,12Z)/20:2(11Z,14Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08210 PC(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08242 PC(18:4(6Z,9Z,12Z,15Z)/20:1(11Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08306 PC(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08337 PC(20:2(11Z,14Z)/18:3(6Z,9Z,12Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08338 PC(20:2(11Z,14Z)/18:3(9Z,12Z,15Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08369 PC(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08402 PC(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08432 PC(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08433 PC(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08465 PC(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08466 PC(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08497 PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:0) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08627 PC(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08659 PC(22:5(4Z,7Z,10Z,13Z,16Z)/16:0) C46H82NO8P 807.57782 NA HMDB2010 NA NA +HMDB08692 PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:0) C46H82NO8P 807.57782 NA HMDB2010 NA NA +MJ095054 Mallonin C33H28O24 808.097051 NA MeJP NA NA +PJ040480 GCCCCCCD C24H40N8O11S6 808.1141 NA PeJP NA NA +PJ040481 GSCCCCCM C25H44N8O10S6 808.1505 NA PeJP NA NA +PJ040482 SSTCCCCC C25H44N8O12S5 808.1682 NA PeJP NA NA +PJ040483 CCCCCQF C29H44N8O9S5 808.1835 NA PeJP NA NA +PJ040484 CCCNDDH C27H40N10O13S3 808.1939 NA PeJP NA NA +PJ040485 SCCCCQY C29H44N8O11S4 808.2013 NA PeJP NA NA +PJ040486 GSPCCCCH C28H44N10O10S4 808.2125 NA PeJP NA NA +PJ040487 GSSSCCCY C29H44N8O13S3 808.219 NA PeJP NA NA +PJ040488 CCCCCKF C30H48N8O8S5 808.2199 NA PeJP NA NA +PJ040489 CNNNDDD C27H40N10O17S 808.2294 NA PeJP NA NA +PJ040490 SCCNDMH C28H44N10O12S3 808.2303 NA PeJP NA NA +PJ040491 GCCCNFY C33H44N8O10S3 808.2343 NA PeJP NA NA +PJ040492 SNDDDDE C28H40N8O20 808.2359 NA PeJP NA NA +PJ040493 PCNDDDM C29H44N8O15S2 808.2368 NA PeJP NA NA +PJ040494 SCCCCKY C30H48N8O10S4 808.2376 NA PeJP NA NA +PJ040495 SPPPCCCC C30H48N8O10S4 808.2377 NA PeJP NA NA +PJ040496 CDDMYY C34H44N6O13S2 808.2408 NA PeJP NA NA +MJ095055 Sucrose; 3'-O-(4-Hydroxy-3-methoxycinnamoyl)(E-), 6'-O-(4-hydroxy-3,5-dimethoxycinnamoyl)(E-), 4,6-di-Ac C37H44O20 808.242593 NA MeJP NA NA +PJ040497 CMMMMY C32H52N6O8S5 808.245 NA PeJP NA NA +PJ040498 GTCCCHW C32H44N10O9S3 808.2455 NA PeJP NA NA +PJ040499 GSSSCCEH C28H44N10O14S2 808.248 NA PeJP NA NA +PJ040500 GCCQMMH C29H48N10O9S4 808.2489 NA PeJP NA NA +PJ040501 GSDDDDW C32H40N8O17 808.2512 NA PeJP NA NA +PJ040502 GPCCDEW C33H44N8O12S2 808.252 NA PeJP NA NA +PJ040503 GDDDQEM C29H44N8O17S 808.2545 NA PeJP NA NA +PJ040504 GNDDEEM C29H44N8O17S 808.2546 NA PeJP NA NA +PJ040505 GSPPCCDM C30H48N8O12S3 808.2554 NA PeJP NA NA +PJ040506 CCNNNNQ C27H44N12O13S2 808.2592 NA PeJP NA NA +PJ040507 GGCCNNNQ C27H44N12O13S2 808.2593 NA PeJP NA NA +PJ040508 CDMMFY C35H48N6O10S3 808.2594 NA PeJP NA NA +PJ040509 GCCCMHR C28H48N12O8S4 808.2601 NA PeJP NA NA +PJ040510 SSSCCHW C32H44N10O11S2 808.2633 NA PeJP NA NA +PJ040511 GCDDDER C28H44N10O16S 808.2658 NA PeJP NA NA +PJ040512 SSCNMMH C29H48N10O11S3 808.2666 NA PeJP NA NA +PJ040513 GGSSCMMH C29H48N10O11S3 808.2667 NA PeJP NA NA +PJ040514 PCCDWW C37H44N8O9S2 808.2673 NA PeJP NA NA +PJ040515 NDDEMW C33H44N8O14S 808.2698 NA PeJP NA NA +PJ040516 PPTCCCW C34H48N8O9S3 808.2707 NA PeJP NA NA +PJ040517 SSNDEEE C29H44N8O19 808.2723 NA PeJP NA NA +PJ040518 SPNDDMM C30H48N8O14S2 808.2732 NA PeJP NA NA +PJ040519 GNDDDHH C30H40N12O15 808.2737 NA PeJP NA NA +PJ040520 CDDFFY C38H44N6O12S 808.2738 NA PeJP NA NA +PJ040521 EMMMMH C31H52N8O9S4 808.274 NA PeJP NA NA +PJ040522 GAPPCCMM C31H52N8O9S4 808.2741 NA PeJP NA NA +PJ040523 GSSCNNNN C27H44N12O15S 808.277 NA PeJP NA NA +PJ040524 SDMMYY C35H48N6O12S2 808.2772 NA PeJP NA NA +PJ040525 STCCCHR C28H48N12O10S3 808.2779 NA PeJP NA NA +PJ040526 CMMMFF C36H52N6O7S4 808.2781 NA PeJP NA NA +PJ040527 CCNHFW C36H44N10O8S2 808.2785 NA PeJP NA NA +FL5FAAGI0012 Diphylloside B C38H48O19 808.27897 118544-18-6 knapsack NA NA +FL5FABGI0009 Epimedin B C38H48O19 808.27897 110623-73-9 knapsack NA NA +FL5FCAGI0001 8-Prenylkaempferol 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside];Noranhydroicaritin 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside];3,4',5,7-Tetrahydroxy-8-(3-methyl-2-butenyl)flavone 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside];3-[(O-D-Apio-beta-D-furanosyl-(1->6)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->3)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C38H48O19 808.27897 221686-00-6 knapsack NA NA +MJ095056 3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C38H48O19 808.278979 NA MeJP NA NA +MJ095057 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-xylopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C38H48O19 808.278979 NA MeJP NA NA +MJ095058 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-xylopyranosyl-(1?4)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C38H48O19 808.278979 NA MeJP NA NA +MJ095059 3,4',5,7-Tetrahydroxy-8-prenylflavone; 7-Me ether, 3-O-[?-D-apiofuranosyl-(1?6)[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] C38H48O19 808.278979 NA MeJP NA NA +PJ040528 CDDDRW C32H44N10O13S 808.281 NA PeJP NA NA +PJ040529 GGGGGTCDW C32H44N10O13S 808.2811 NA PeJP NA NA +PJ040530 SSDDDDR C28H44N10O18 808.2835 NA PeJP NA NA +PJ040531 GGGGGSSSDE C28H44N10O18 808.2836 NA PeJP NA NA +PJ040532 SPCCDER C29H48N10O13S2 808.2844 NA PeJP NA NA +PJ040533 GDDMWW C37H44N8O11S 808.2851 NA PeJP NA NA +PJ040534 PPCCCMR C30H52N10O8S4 808.2853 NA PeJP NA NA +PJ040535 GSSDEEW C33H44N8O16 808.2876 NA PeJP NA NA +PJ040536 GSPCEMW C34H48N8O11S2 808.2884 NA PeJP NA NA +PJ040537 GSQEEEM C30H48N8O16S 808.2909 NA PeJP NA NA +PJ040538 GDEYYY C38H44N6O14 808.2916 NA PeJP NA NA +PJ040539 GPNEMMM C31H52N8O11S3 808.2918 NA PeJP NA NA +PJ040540 SPCNDHH C31H44N12O12S 808.2923 NA PeJP NA NA +PJ040541 CDMFFF C39H48N6O9S2 808.2925 NA PeJP NA NA +MJ095060 Azadirachtin; O3-De-Ac, 3-cinnamoyl C42H48O16 808.294235 NA MeJP NA NA +PJ040542 GCNNDMR C28H48N12O12S2 808.2956 NA PeJP NA NA +PJ040543 GGGCNDMR C28H48N12O12S2 808.2957 NA PeJP NA NA +PJ040544 AMMMYY C36H52N6O9S3 808.2958 NA PeJP NA NA +PJ040545 SCNNWW C36H44N10O10S 808.2963 NA PeJP NA NA +PJ040546 SSSNNDW C32H44N10O15 808.2988 NA PeJP NA NA +PJ040547 NNMMHY C33H48N10O10S2 808.2996 NA PeJP NA NA +PJ040548 NNNMMW C33H48N10O10S2 808.2997 NA PeJP NA NA +PJ040549 CEWWW C41H44N8O8S 808.3003 NA PeJP NA NA +PJ040550 GSDDEMR C29H48N10O15S 808.3022 NA PeJP NA NA +PJ040551 SSDEWW C37H44N8O13 808.3028 NA PeJP NA NA +PJ040552 GPCDMMR C30H52N10O10S3 808.303 NA PeJP NA NA +PJ040553 GGGGPCCKM C30H52N10O10S3 808.3031 NA PeJP NA NA +PJ040554 GCNNQHH C30H44N14O11S 808.3035 NA PeJP NA NA +PJ040555 SPCMWW C38H48N8O8S2 808.3037 NA PeJP NA NA +PJ040556 SQEEMW C34H48N8O13S 808.3062 NA PeJP NA NA +PJ040557 DYYYW C42H44N6O11 808.3068 NA PeJP NA NA +PJ040558 PNMMMW C35H52N8O8S3 808.3071 NA PeJP NA NA +PJ040559 CEHHHF C35H44N12O9S 808.3075 NA PeJP NA NA +PJ040560 SSTQEEE C30H48N8O18 808.3087 NA PeJP NA NA +PJ040561 SSPQEMM C31H52N8O13S2 808.3095 NA PeJP NA NA +PJ040562 AAQEEMM C31H52N8O13S2 808.3096 NA PeJP NA NA +PJ040563 GNNNNNY C31H44N12O14 808.31 NA PeJP NA NA +PJ040564 GGGGGGGGGNY C31H44N12O14 808.3101 NA PeJP NA NA +PJ040565 PTCYYY C39H48N6O11S 808.3102 NA PeJP NA NA +PJ040566 PPCCKMM C32H56N8O8S4 808.3104 NA PeJP NA NA +PJ040567 CCNQRW C32H48N12O9S2 808.3109 NA PeJP NA NA +PJ040568 SSCNNER C28H48N12O14S 808.3134 NA PeJP NA NA +PJ040569 TTMMYY C36H52N6O11S2 808.3136 NA PeJP NA NA +PJ040570 NNNDFW C36H44N10O12 808.314 NA PeJP NA NA +PJ040571 GGGGNDFW C36H44N10O12 808.3141 NA PeJP NA NA +PJ040572 SDDMRW C33H48N10O12S 808.3174 NA PeJP NA NA +PJ040573 SSSDEER C29H48N10O17 808.3199 NA PeJP NA NA +PJ040574 NEEMMR C30H52N10O12S2 808.3208 NA PeJP NA NA +PJ040575 SSNNNHH C30H44N14O13 808.3213 NA PeJP NA NA +PJ040576 GTEMWW C38H48N8O10S 808.3214 NA PeJP NA NA +PJ040577 GGPDMFW C38H48N8O10S 808.3215 NA PeJP NA NA +PJ040578 GPCCHHR C31H48N14O8S2 808.3221 NA PeJP NA NA +PJ040579 GSTTEEW C34H48N8O15 808.3239 NA PeJP NA NA +PJ040580 GGGPTEEY C34H48N8O15 808.324 NA PeJP NA NA +PJ040581 VNEMMW C35H52N8O10S2 808.3248 NA PeJP NA NA +PJ040582 SNEHHW C35H44N12O11 808.3253 NA PeJP NA NA +PJ040583 MFYYW C43H48N6O8S 808.3254 NA PeJP NA NA +PJ040584 GSKEEEM C31H52N8O15S 808.3273 NA PeJP NA NA +PJ040585 ATEYYY C39H48N6O13 808.328 NA PeJP NA NA +PJ040586 GPDKMMM C32H56N8O10S3 808.3282 NA PeJP NA NA +PJ040587 SSPNMHH C32H48N12O11S 808.3286 NA PeJP NA NA +PJ040588 GSSCNRW C32H48N12O11S 808.3287 NA PeJP NA NA +PJ040589 AMMFFY C40H52N6O8S2 808.3288 NA PeJP NA NA +MJ095061 Galtamycin C43H52O15 808.33062 NA MeJP NA NA +PJ040590 GSSSSNDR C28H48N12O16 808.3312 NA PeJP NA NA +PJ040591 CDEMRR C29H52N12O11S2 808.332 NA PeJP NA NA +PJ040592 NNMHFF C37H48N10O9S 808.3327 NA PeJP NA NA +PJ040593 SSSSQQW C33H48N10O14 808.3352 NA PeJP NA NA +PJ040594 VCDMRW C34H52N10O9S2 808.336 NA PeJP NA NA +PJ040595 GEMMRW C34H52N10O9S2 808.3361 NA PeJP NA NA +PJ040596 TMWWW C42H48N8O7S 808.3367 NA PeJP NA NA +PJ040597 GSTEEMR C30H52N10O14S 808.3385 NA PeJP NA NA +PJ040598 GGGGSSKEM C30H52N10O14S 808.3386 NA PeJP NA NA +PJ040599 STTEWW C38H48N8O12 808.3392 NA PeJP NA NA +PJ040600 GSPMMMR C31H56N10O9S3 808.3394 NA PeJP NA NA +PJ040601 NDMHHR C31H48N14O10S 808.3399 NA PeJP NA NA +PJ040602 GVMMWW C39H52N8O7S2 808.3401 NA PeJP NA NA +PJ040603 GSHHWW C39H44N12O8 808.3405 NA PeJP NA NA +PJ040604 SKEEMW C35H52N8O12S 808.3426 NA PeJP NA NA +PJ040605 GPFYYY C43H48N6O10 808.3432 NA PeJP NA NA +PJ040606 GSCCQRR C28H52N14O10S2 808.3433 NA PeJP NA NA +PJ040607 LMMMHF C36H56N8O7S3 808.3434 NA PeJP NA NA +PJ040608 AQMHHW C36H48N12O8S 808.3439 NA PeJP NA NA +PJ040609 SSTKEEE C31H52N8O17 808.3451 NA PeJP NA NA +PJ040610 GVDKEMM C32H56N8O12S2 808.3459 NA PeJP NA NA +PJ040611 AAKEEMM C32H56N8O12S2 808.346 NA PeJP NA NA +PJ040612 NNNERY C32H48N12O13 808.3464 NA PeJP NA NA +PJ040613 GLMYYY C40H52N6O10S 808.3466 NA PeJP NA NA +PJ040614 CCNKRW C33H52N12O8S2 808.3473 NA PeJP NA NA +PJ040615 NQHHHH C33H44N16O9 808.3478 NA PeJP NA NA +PJ040616 SSSNQMR C29H52N12O13S 808.3498 NA PeJP NA NA +PJ040617 GQQQYW C37H48N10O11 808.3504 NA PeJP NA NA +PJ040618 GGGGGGVYW C37H48N10O11 808.3505 NA PeJP NA NA +PJ040619 MMRWW C38H52N10O6S2 808.3513 NA PeJP NA NA +MJ095062 Terracinolide A; 6-Debenzoyl, 6-(2-methylpropanoyl) C40H56O17 808.35175 NA MeJP NA NA +PJ040620 STEMRW C34H52N10O11S 808.3538 NA PeJP NA NA +PJ040621 ASPYWW C42H48N8O9 808.3544 NA PeJP NA NA +PJ040622 GPTYWW C42H48N8O9 808.3545 NA PeJP NA NA +PJ040623 ACHHRW C35H48N14O7S 808.3552 NA PeJP NA NA +PJ040624 SSTTEER C30H52N10O16 808.3563 NA PeJP NA NA +PJ040625 DKEMMR C31H56N10O11S2 808.3572 NA PeJP NA NA +PJ040626 GSSEHHR C31H48N14O12 808.3576 NA PeJP NA NA +PJ040627 GPNNDHR C31H48N14O12 808.3577 NA PeJP NA NA +PJ040628 SSLMWW C39H52N8O9S 808.3578 NA PeJP NA NA +PJ040629 FFFYW C47H48N6O7 808.3585 NA PeJP NA NA +PJ040630 SSSTLEW C35H52N8O14 808.3603 NA PeJP NA NA +PJ040631 SSSCNRR C28H52N14O12S 808.361 NA PeJP NA NA +PJ040632 VDKMMW C36H56N8O9S2 808.3612 NA PeJP NA NA +PJ040633 GNNRYW C36H48N12O10 808.3617 NA PeJP NA NA +PJ040634 AMFFFF C44H52N6O7S 808.3619 NA PeJP NA NA +PJ040635 ATTKEEM C32H56N8O14S 808.3637 NA PeJP NA NA +PJ040636 STLYYY C40H52N6O12 808.3643 NA PeJP NA NA +PJ040637 APTKMMM C33H60N8O9S3 808.3646 NA PeJP NA NA +PJ040638 PCDRRY C33H52N12O10S 808.365 NA PeJP NA NA +PJ040639 GGGGQMFR C33H52N12O10S 808.3651 NA PeJP NA NA +PJ040640 DFRWW C41H48N10O8 808.3657 NA PeJP NA NA +PJ040641 GSSSSTQR C29H52N12O15 808.3675 NA PeJP NA NA +PJ040642 SEMMRR C30H56N12O10S2 808.3684 NA PeJP NA NA +PJ040643 GPMRYW C38H52N10O8S 808.3691 NA PeJP NA NA +PJ040644 SSSSQKW C34H52N10O13 808.3715 NA PeJP NA NA +PJ040645 GGSSSTKW C34H52N10O13 808.3716 NA PeJP NA NA +PJ040646 SVMMRW C35H56N10O8S2 808.3724 NA PeJP NA NA +PJ040647 SSHHRW C35H48N14O9 808.3729 NA PeJP NA NA +PJ040648 SSSLEMR C31H56N10O13S 808.3749 NA PeJP NA NA +PJ040649 SPKEYW C39H52N8O11 808.3756 NA PeJP NA NA +PJ040650 LQMMMR C32H60N10O8S3 808.3758 NA PeJP NA NA +PJ040651 CNNFRR C32H52N14O9S 808.3763 NA PeJP NA NA +PJ040652 GTTTLMW C36H56N8O11S 808.3789 NA PeJP NA NA +PJ040653 VVTTTCW C36H56N8O11S 808.379 NA PeJP NA NA +PJ040654 GLFFYY C44H52N6O9 808.3796 NA PeJP NA NA +PJ040655 GSCCKRR C29H56N14O9S2 808.3797 NA PeJP NA NA +PJ040656 AKMHHW C37H52N12O7S 808.3803 NA PeJP NA NA +PJ040657 TTTTKEE C32H56N8O16 808.3814 NA PeJP NA NA +PJ040658 ASSTTTLE C32H56N8O16 808.3815 NA PeJP NA NA +PJ040659 GTLKEMM C33H60N8O11S2 808.3823 NA PeJP NA NA +PJ040660 GEERRY C33H52N12O12 808.3828 NA PeJP NA NA +PJ040661 PCMFRR C34H56N12O7S2 808.3837 NA PeJP NA NA +PJ040662 NKHHHH C34H48N16O8 808.3841 NA PeJP NA NA +PJ040663 GGKHHHH C34H48N16O8 808.3842 NA PeJP NA NA +PJ040664 SSSNKMR C30H56N12O12S 808.3862 NA PeJP NA NA +PJ040665 GVERYW C38H52N10O10 808.3868 NA PeJP NA NA +PJ040666 CLMMRR C31H60N12O7S3 808.387 NA PeJP NA NA +PJ040667 TCHHRR C31H52N16O8S 808.3875 NA PeJP NA NA +MJ095063 Corynecandin C41H60O16 808.388135 NA MeJP NA NA +MJ095064 Neocynaponogenin A; 3-O-[?-L-Cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] C41H60O16 808.388135 NA MeJP NA NA +PJ040668 GSTCKKW C35H56N10O10S 808.3902 NA PeJP NA NA +PJ040669 AALYWW C43H52N8O8 808.3908 NA PeJP NA NA +PJ040670 GGPVFFW C43H52N8O8 808.3909 NA PeJP NA NA +PJ040671 TTTTTER C31H56N10O15 808.3927 NA PeJP NA NA +PJ040672 GTTLMMR C32H60N10O10S2 808.3936 NA PeJP NA NA +PJ040673 SNNRRY C32H52N14O11 808.394 NA PeJP NA NA +PJ040674 GGGGAPTHR C32H52N14O11 808.3941 NA PeJP NA NA +PJ040675 PCLKYW C40H56N8O8S 808.3942 NA PeJP NA NA +PJ040676 STTTTLW C36H56N8O13 808.3967 NA PeJP NA NA +PJ040677 TLKMMW C37H60N8O8S2 808.3976 NA PeJP NA NA +PJ040678 ERRYW C37H52N12O9 808.3981 NA PeJP NA NA +7755 soymorphin-7 YPFVVNA 808.3989 antioxidative Inhouse_peptide NA peptide +3588 NA WWPKHG~ 808.399 ACE inhibitor Inhouse_peptide NA peptide +PJ040679 STTLKEM C33H60N8O13S 808.4001 NA PeJP NA NA +PJ040680 GVLKMMM C34H64N8O8S3 808.401 NA PeJP NA NA +PJ040681 SPMRRY C34H56N12O9S 808.4014 NA PeJP NA NA +PJ040682 VRYWW C42H52N10O7 808.4021 NA PeJP NA NA +PJ040683 GSSSSTKR C30H56N12O14 808.4039 NA PeJP NA NA +C09219 Leurosine C46H56N4O9 808.4047 NA KEGG NA NA +MJ095065 Catharanthamine C46H56N4O9 808.404729 NA MeJP NA NA +MJ095066 Leurosine C46H56N4O9 808.404729 NA MeJP NA NA +MJ095067 Roseadine C46H56N4O9 808.404729 NA MeJP NA NA +MJ095068 Vincathicine C46H56N4O9 808.404729 NA MeJP NA NA +MJ095069 Vincristine; 4'-Deoxy, 4'-epimer C46H56N4O9 808.404729 NA MeJP NA NA +PJ040684 GSCKKMR C31H60N12O9S2 808.4048 NA PeJP NA NA +PJ040685 GLMFRW C39H56N10O7S 808.4055 NA PeJP NA NA +PJ040686 SSSSKKW C35H56N10O12 808.4079 NA PeJP NA NA +PJ040687 VDKERY C35H56N10O12 808.408 NA PeJP NA NA +PJ040688 PKMMFR C36H60N10O7S2 808.4088 NA PeJP NA NA +MJ095070 2,6,10-Farnesatrien-1-ol, O-[?-L-Arabinopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)][?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C38H64O18 808.409265 NA MeJP NA NA +PJ040689 VNHHFR C36H52N14O8 808.4093 NA PeJP NA NA +PJ040690 STTTLMR C32H60N10O12S 808.4113 NA PeJP NA NA +PJ040691 ALKEYW C40H56N8O10 808.412 NA PeJP NA NA +PJ040692 LKMMMR C33H64N10O7S3 808.4122 NA PeJP NA NA +PJ040693 TKMHHR C33H56N14O8S 808.4127 NA PeJP NA NA +PJ040694 GPTLKMY C37H60N8O10S 808.4153 NA PeJP NA NA +PJ040695 GGGVLLMY C37H60N8O10S 808.4154 NA PeJP NA NA +PJ040696 SSSTTTLL C33H60N8O15 808.4178 NA PeJP NA NA +PJ040697 SSLLKMM C34H64N8O10S2 808.4187 NA PeJP NA NA +PJ040698 SVERRY C34H56N12O11 808.4192 NA PeJP NA NA +PJ040699 GHHFRR C35H52N16O7 808.4205 NA PeJP NA NA +PJ040700 SSTCKKR C31H60N12O11S 808.4225 NA PeJP NA NA +PJ040701 ATLRYW C39H56N10O9 808.4232 NA PeJP NA NA +MJ095071 20,24-Epoxy-3,16,25-trihydroxycucurbita-5,23-diene-11,22-dione, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C42H64O15 808.424521 NA MeJP NA NA +MJ095072 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H64O15 808.424521 NA MeJP NA NA +MJ095073 3,21,24-Trihydroxy-9(11),12-oleanadien-29-oic acid, 3-O-(D-Glucuronosyl-L-rhamnoside) C42H64O15 808.424521 NA MeJP NA NA +MJ095074 3-Hydroxy-12,20(30)-ursadiene-27,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester C42H64O15 808.424521 NA MeJP NA NA +MJ095075 3-Hydroxy-12-oleanen-30-oic acid, 3-O-[?-D-Glucuronopyranosyl(1?2)-?-D-glucuronate] C42H64O15 808.424521 NA MeJP NA NA +MJ095076 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucuronopyranoside] C42H64O15 808.424521 NA MeJP NA NA +MJ095077 3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester C42H64O15 808.424521 NA MeJP NA NA +MJ095078 9(11),12-Oleanadiene-3,21,29-triol, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H64O15 808.424521 NA MeJP NA NA +MJ095079 Abrusogenin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H64O15 808.424521 NA MeJP NA NA +MJ095080 Bryostatin 10 C42H64O15 808.424521 NA MeJP NA NA +MJ095081 Chiisanogenin; [?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C42H64O15 808.424521 NA MeJP NA NA +MJ095082 Gitaloxigenin; 3-O-[D-Digitoxopyranosyl-(1?4)-D-digitoxopyranosyl-(1?4)-D-digitoxopyranoside] C42H64O15 808.424521 NA MeJP NA NA +MJ095083 Glaucogenin A; 3-O-[?-D-Cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-cymaropyranoside] C42H64O15 808.424521 NA MeJP NA NA +MJ095084 Glaucogenin A; 3-O-[?-D-Cymaropyranosyl-(1?4)-?-L-sarmentopyranosyl-(1?4)-?-D-cymaropyranoside] C42H64O15 808.424521 NA MeJP NA NA +MJ095085 Glaucogenin A; 3-O-[?-L-Cymaropyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-oleandropyranoside] C42H64O15 808.424521 NA MeJP NA NA +MJ095086 Glaucogenin A; 3-O-?-L-Cymaropyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-L-cymaropyranoside C42H64O15 808.424521 NA MeJP NA NA +MJ095087 Glaucogenin C; 3-O-[?-D-Cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-thevetopyranoside] C42H64O15 808.424521 NA MeJP NA NA +MJ095088 Glaucogenin C; 3-O-?-L-Cymaropyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-thevetopyranoside C42H64O15 808.424521 NA MeJP NA NA +PJ040702 VLQMRY C36H60N10O9S 808.4266 NA PeJP NA NA +MJ095089 Seglitide C44H56N8O7 808.427196 NA MeJP NA NA +PJ040703 VLHFFF C44H56N8O7 808.4272 NA PeJP NA NA +3276 NA KPGEPGPK 808.428 celiac toxic Inhouse_peptide NA peptide +PJ040704 GSSTTTKK C32H60N10O14 808.4291 NA PeJP NA NA +PJ040705 ATCKKKM C33H64N10O9S2 808.4299 NA PeJP NA NA +PJ040706 GSKKKMM C33H64N10O9S2 808.43 NA PeJP NA NA +PJ040707 GSPQKHR C33H56N14O10 808.4304 NA PeJP NA NA +MJ095090 Bottromycin B2 C41H60N8O7S 808.430567 NA MeJP NA NA +PJ040708 VVKMFW C41H60N8O7S 808.4306 NA PeJP NA NA +PJ040709 LKKEEY C37H60N8O12 808.4331 NA PeJP NA NA +PJ040710 PTLHRW C38H56N12O8 808.4344 NA PeJP NA NA +PJ040711 GGPKKHW C38H56N12O8 808.4345 NA PeJP NA NA +PJ040712 ALMRRY C35H60N12O8S 808.4378 NA PeJP NA NA +MJ095091 Cypridina Biluciferyl C44H52N14O2 808.439766 NA MeJP NA NA +PJ040713 VNQHRR C32H56N16O9 808.4417 NA PeJP NA NA +PJ040714 TLKERY C36H60N10O11 808.4443 NA PeJP NA NA +PJ040715 GGALLLEH C36H60N10O11 808.4444 NA PeJP NA NA +PJ040716 PPHFRR C37H56N14O7 808.4457 NA PeJP NA NA +PJ040717 SSTKKKM C33H64N10O11S 808.4477 NA PeJP NA NA +PJ040718 SLLKYW C41H60N8O9 808.4484 NA PeJP NA NA +PJ040719 PLMHRR C34H60N14O7S 808.449 NA PeJP NA NA +PJ040720 AALLKMY C38H64N8O9S 808.4517 NA PeJP NA NA +PJ040721 GQHRRR C31H56N18O8 808.4529 NA PeJP NA NA +PJ040722 TTLRRY C35H60N12O10 808.4556 NA PeJP NA NA +PJ040723 GKKKYW C40H60N10O8 808.4596 NA PeJP NA NA +MJ095092 12-Oleanene-3,16,21,22,23,28-hexol, 21-O-(2S-Methylbutanoyl), 3-O-?-D-glucuronopyranoside, 28-Ac C43H68O14 808.460906 NA MeJP NA NA +MJ095093 17,22,24-Trihydroxy-28-hopanoic acid; 17?-form, 28?22 Lactone, 24-O-[?-L-2-O-acetylarabinofuranosyl-(1?2)-?-D-glucopyranoside] C43H68O14 808.460906 NA MeJP NA NA +MJ095094 17,22,24-Trihydroxy-28-hopanoic acid; 17?-form, 28?22 Lactone, 24-O-[?-L-arabinofuranosyl-(1?2)-?-D-6-O-acetylglucopyranoside] C43H68O14 808.460906 NA MeJP NA NA +MJ095095 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C43H68O14 808.460906 NA MeJP NA NA +MJ095096 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-(2-O-Acetyl-?-L-arabinopyranoside), ?-D-glucopyranosyl ester C43H68O14 808.460906 NA MeJP NA NA +MJ095097 3-Hydroxy-12-oleanene-28,29-dioic acid, 3-O-?-L-Rhamnopyranoside, 29-O-?-D-glucopyranosyl ester, 28-Me ester C43H68O14 808.460906 NA MeJP NA NA +MJ095098 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucuronopyranoside], 6'-Me ester C43H68O14 808.460906 NA MeJP NA NA +MJ095099 Oleanolic acid bisdesmosides; Diglycosides, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester, 6'-Me ester C43H68O14 808.460906 NA MeJP NA NA +PJ040724 VLKMRY C37H64N10O8S 808.463 NA PeJP NA NA +PJ040725 VLEHRR C34H60N14O9 808.4668 NA PeJP NA NA +PJ040726 ATTLLKY C38H64N8O11 808.4695 NA PeJP NA NA +PJ040727 VVLHRW C39H60N12O7 808.4708 NA PeJP NA NA +PJ040728 CKKKFR C36H64N12O7S 808.4742 NA PeJP NA NA +PJ040729 PPQRRR C33H60N16O8 808.478 NA PeJP NA NA +PJ040730 DKKKKY C37H64N10O10 808.4807 NA PeJP NA NA +PJ040731 APPLLLW C42H64N8O8 808.4847 NA PeJP NA NA +PJ040732 APPIILW C42H64N8O8 808.4848 NA PeJP NA NA +MJ095100 Chevalierin A C39H68N8O8S 808.488081 NA MeJP NA NA +PJ040733 GKHRRR C32H60N18O7 808.4893 NA PeJP NA NA +PJ040734 SKKKRY C36H64N12O9 808.492 NA PeJP NA NA +PJ040735 LLLKHW C41H64N10O7 808.496 NA PeJP NA NA +MJ095101 Concanamycin B; 4'-Decarbamoyl C44H72O13 808.497292 NA MeJP NA NA +MJ095102 Cucurbita-5,24-diene-3,7,16-triol, O7-Me, 16-O-(6-O-acetyl-?-D-glucopyranoside), 3-O-?-D-xylopyranoside C44H72O13 808.497292 NA MeJP NA NA +MJ095103 Formamicin C44H72O13 808.497292 NA MeJP NA NA +PJ040736 KKKKMF C38H68N10O7S 808.4993 NA PeJP NA NA +PJ040737 GPPVKRR C35H64N14O8 808.5032 NA PeJP NA NA +PJ040738 PPLLLKE C39H68N8O10 808.5059 NA PeJP NA NA +HMDB09779 PI(16:0/16:1(9Z)) C41H77O13P 808.510193 NA HMDB2010 NA NA +HMDB09797 PI(16:1(9Z)/16:0) C41H77O13P 808.510193 NA HMDB2010 NA NA +PJ040739 PPKRRR C34H64N16O7 808.5144 NA PeJP NA NA +PJ040740 PPTLLLR C38H68N10O9 808.5171 NA PeJP NA NA +PJ040741 APPLKKR C37H68N12O8 808.5283 NA PeJP NA NA +PJ040742 LKKKHR C36H68N14O7 808.5396 NA PeJP NA NA +PJ040743 PLLLLLQ C40H72N8O9 808.5423 NA PeJP NA NA +PJ040744 PVVLLLR C39H72N10O8 808.5535 NA PeJP NA NA +PJ040745 PLLLLLK C41H76N8O8 808.5787 NA PeJP NA NA +EUR1100 SM(d18:1/22:0) [M+Na]+ C45H91N2O6P 808.643422 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1100 SM(d18:1/22:0) [M+Na]+ C45H91N2O6P 808.643422 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1100 SM(d18:1/22:0) [M+Na]+ C45H91N2O6P 808.643422 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1100 SM(d18:1/22:0) [M+Na]+ C45H91N2O6P 808.643422 masses lipides attendues Inhousejuil11 NA NA +MJ095104 20(29)-Lupene-3,7,15-triol, 3-Tetracosanoyl C54H96O4 808.730861 NA MeJP NA NA +MJ095105 Acetyl-CoA C23H38N7O17P3S 809.125773 NA MeJP NA NA +MetaCyc04150 acetyl-CoA [acetyl coenzyme-A;ac-CoA;acetylcoenzyme-A;acetyl-S-CoA;ac-S-CoA;] C23H38N7O17P3S1 809.125773 72-89-9 metacyc NA NA +HMDB01206 Acetyl-CoA C23H38N7O17P3S 809.12579 http://www.hmdb.ca/metabolites/HMDB01206 HMDB NA NA +HMDB01206 Acetyl-CoA C23H38N7O17P3S 809.12579 HMDB01206 PFEM_hmdb_metabocards_official NA NA +LABER080 AcetylCoa NA 809.125793 NA PFEM_hmdb_metabocards_urine NA urine +LABER080 AcetylCoa NA 809.125793 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER080 AcetylCoa NA 809.125793 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER080 AcetylCoa NA 809.125793 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER080 AcetylCoa NA 809.125793 NA HMDB NA NA +HMDB01206 Acetyl-CoA C23H38N7O17P3S 809.125793 NA HMDB2010 NA NA +LABER080 AcetylCoa NA 809.125793 NA Inhouse_PFEM NA NA +LABER080 AcetylCoa NA 809.125793 NA Inhousejuil11 NA NA +LABER080 AcetylCoa NA 809.125793 NA PFEM_hmdb_metabocards_blood NA blood +LABER080 AcetylCoa NA 809.125793 NA PFEM_hmdb_metabocards_official NA NA +C00024 Acetyl-CoA C23H38N7O17P3S 809.1258 NA KEGG NA NA +PJ040746 CCCCCEF C29H43N7O10S5 809.1675 NA PeJP NA NA +PJ040747 CCCDDDH C27H39N9O14S3 809.1779 NA PeJP NA NA +PJ040748 SCCCCEY C29H43N7O12S4 809.1853 NA PeJP NA NA +PJ040749 GCCCMMY C30H47N7O9S5 809.2039 NA PeJP NA NA +PJ040750 CCCCNQH C27H43N11O10S4 809.2078 NA PeJP NA NA +PJ040751 CNNDDDD C27H39N9O18S 809.2134 NA PeJP NA NA +PJ040752 SCCDDMH C28H43N9O13S3 809.2143 NA PeJP NA NA +PJ040753 GCCCDFY C33H43N7O11S3 809.2183 NA PeJP NA NA +PJ040754 SDDDDDE C28H39N7O21 809.2199 NA PeJP NA NA +PJ040755 PCDDDDM C29H43N7O16S2 809.2208 NA PeJP NA NA +PJ040756 STCCCMY C30H47N7O11S4 809.2217 NA PeJP NA NA +PJ040757 GSSCCCNH C27H43N11O12S3 809.2255 NA PeJP NA NA +PJ040758 GSPCCNDD C28H43N9O15S2 809.232 NA PeJP NA NA +PJ040759 GGGSPCCDD C28H43N9O15S2 809.2321 NA PeJP NA NA +PJ040760 GCCEMMH C29H47N9O10S4 809.2329 NA PeJP NA NA +PJ040761 GSCCDYY C33H43N7O13S2 809.2361 NA PeJP NA NA +PJ040762 GCCCMFF C34H47N7O8S4 809.2369 NA PeJP NA NA +PJ040763 GDDDEEM C29H43N7O18S 809.2386 NA PeJP NA NA +PJ040764 CCNNNNE C27H43N11O14S2 809.2433 NA PeJP NA NA +PJ040765 CCCCNKH C28H47N11O9S4 809.2441 NA PeJP NA NA +PJ040766 GGCCCCKH C28H47N11O9S4 809.2442 NA PeJP NA NA +PJ040767 GCCDEHF C32H43N9O12S2 809.2473 NA PeJP NA NA +PJ040768 CCMMHW C33H47N9O7S4 809.2482 NA PeJP NA NA +PJ040769 SNNDDDM C28H43N9O17S 809.2498 NA PeJP NA NA +PJ040770 SSCDMMH C29H47N9O12S3 809.2507 NA PeJP NA NA +PJ040771 ACCCHHH C30H43N13O8S3 809.252 NA PeJP NA NA +PJ040772 DDDEMW C33H43N7O15S 809.2538 NA PeJP NA NA +PJ040773 CCQMYY C34H47N7O10S3 809.2547 NA PeJP NA NA +PJ040774 SSDDEEE C29H43N7O20 809.2563 NA PeJP NA NA +PJ040775 SPDDDMM C30H47N7O15S2 809.2572 NA PeJP NA NA +PJ040776 GDDDDHH C30H39N11O16 809.2577 NA PeJP NA NA +PJ040777 PPCCEMM C31H51N7O10S4 809.2581 NA PeJP NA NA +PJ040778 GCCNNNW C31H43N11O11S2 809.2585 NA PeJP NA NA +PJ040779 GGGGGGGCCW C31H43N11O11S2 809.2586 NA PeJP NA NA +PJ040780 GSSCNNND C27H43N11O16S 809.261 NA PeJP NA NA +PJ040781 GGGGGGGSSCD C27H43N11O16S 809.2611 NA PeJP NA NA +PJ040782 PCCCNDR C28H47N11O11S3 809.2619 NA PeJP NA NA +PJ040783 CCDHFW C36H43N9O9S2 809.2625 NA PeJP NA NA +PJ040784 ASCNDDW C32H43N9O14S 809.265 NA PeJP NA NA +PJ040785 GSCNDEW C32H43N9O14S 809.2651 NA PeJP NA NA +PJ040786 GPCCNMW C33H47N9O9S3 809.2659 NA PeJP NA NA +PJ040787 ASSSNDDD C28H43N9O19 809.2675 NA PeJP NA NA +PJ040788 GSSSNDDE C28H43N9O19 809.2676 NA PeJP NA NA +PJ040789 GNNDEMM C29H47N9O14S2 809.2684 NA PeJP NA NA +PJ040790 GTCMMMH C30H51N9O9S4 809.2693 NA PeJP NA NA +PJ040791 SSCCHHH C30H43N13O10S2 809.2698 NA PeJP NA NA +PJ040792 GPDDDEY C33H43N7O17 809.2716 NA PeJP NA NA +PJ040793 GSSCMYY C34H47N7O12S2 809.2724 NA PeJP NA NA +PJ040794 ASDEEEM C30H47N7O17S 809.2749 NA PeJP NA NA +PJ040795 GSEEEEM C30H47N7O17S 809.275 NA PeJP NA NA +PJ040796 GPDEMMM C31H51N7O12S3 809.2758 NA PeJP NA NA +PJ040797 SPCDDHH C31H43N11O13S 809.2763 NA PeJP NA NA +PJ040798 SCNNNQM C28H47N11O13S2 809.2796 NA PeJP NA NA +PJ040799 GCNDDMR C28H47N11O13S2 809.2797 NA PeJP NA NA +PJ040800 SCNDWW C36H43N9O11S 809.2803 NA PeJP NA NA +PJ040801 SSSNDDW C32H43N9O16 809.2828 NA PeJP NA NA +PJ040802 NNDMMW C33H47N9O11S2 809.2837 NA PeJP NA NA +PJ040803 SSNNEEM C29H47N9O16S 809.2862 NA PeJP NA NA +PJ040804 PDDDYW C37H43N7O14 809.2868 NA PeJP NA NA +PJ040805 SSSMMMH C30H51N9O11S3 809.287 NA PeJP NA NA +PJ040806 GGSPCQMM C30H51N9O11S3 809.2871 NA PeJP NA NA +PJ040807 GCNNEHH C30H43N13O12S 809.2875 NA PeJP NA NA +PJ040808 CCQFFY C38H47N7O9S2 809.2877 NA PeJP NA NA +MJ095106 Perdeacylalatusamine; 1-Benzoyl, 6,8,9,14-tetra-Ac C41H47NO16 809.289484 NA MeJP NA NA +PJ040809 SEEEMW C34H47N7O14S 809.2902 NA PeJP NA NA +PJ040810 SCCNNNR C27H47N13O12S2 809.2909 NA PeJP NA NA +PJ040811 PDMMMW C35H51N7O9S3 809.2911 NA PeJP NA NA +PJ040812 SSTEEEE C30H47N7O19 809.2927 NA PeJP NA NA +PJ040813 AAEEEMM C31H51N7O14S2 809.2936 NA PeJP NA NA +PJ040814 GNNNNDY C31H43N11O15 809.294 NA PeJP NA NA +PJ040815 GGGGGNNDY C31H43N11O15 809.2941 NA PeJP NA NA +PJ040816 PPTCMMM C32H55N7O9S4 809.2944 NA PeJP NA NA +PJ040817 CCNERW C32H47N11O10S2 809.2949 NA PeJP NA NA +PJ040818 SSCNDER C28H47N11O15S 809.2974 NA PeJP NA NA +PJ040819 NNDDFW C36H43N9O13 809.2981 NA PeJP NA NA +PJ040820 SPCCNMR C29H51N11O10S3 809.2983 NA PeJP NA NA +PJ040821 GCQMWW C37H47N9O8S2 809.2989 NA PeJP NA NA +MJ095107 Antibiotic FCE 21424; 1'',3''-Di-Me C40H47N3O15 809.300717 NA MeJP NA NA +PJ040822 GSSNEMW C33H47N9O13S 809.3014 NA PeJP NA NA +PJ040823 GGGGGPDMY C33H47N9O13S 809.3015 NA PeJP NA NA +PJ040824 APCCCKW C34H51N9O8S3 809.3023 NA PeJP NA NA +PJ040825 CNNHHW C34H43N13O9S 809.3028 NA PeJP NA NA +PJ040826 GSSSSQEE C29H47N9O18 809.3039 NA PeJP NA NA +MJ095108 Taxol?; 10-De-Ac, 10-ketone C45H47NO13 809.30474 NA MeJP NA NA +MJ095109 Taxol?; 7-Epimer, 10-de-Ac, 10-ketone C45H47NO13 809.30474 NA MeJP NA NA +PJ040827 DEEMMR C30H51N9O13S2 809.3048 NA PeJP NA NA +PJ040828 SSNNDHH C30H43N13O14 809.3053 NA PeJP NA NA +PJ040829 GNMYYY C38H47N7O11S 809.3054 NA PeJP NA NA +PJ040830 PDDMFW C38H47N7O11S 809.3055 NA PeJP NA NA +PJ040831 GSPEEEY C34H47N7O16 809.308 NA PeJP NA NA +PJ040832 VDEMMW C35H51N7O11S2 809.3088 NA PeJP NA NA +PJ040833 SDEHHW C35H43N11O12 809.3093 NA PeJP NA NA +PJ040834 GCCRWW C36H47N11O7S2 809.3102 NA PeJP NA NA +PJ040835 ATTEEEM C31H51N7O16S 809.3113 NA PeJP NA NA +PJ040836 APTEMMM C32H55N7O11S3 809.3122 NA PeJP NA NA +PJ040837 GSSCDRW C32H47N11O12S 809.3127 NA PeJP NA NA +PJ040838 GSSSSDDR C28H47N11O17 809.3152 NA PeJP NA NA +PJ040839 GSNDMMR C29H51N11O12S2 809.316 NA PeJP NA NA +PJ040840 GGGSDMMR C29H51N11O12S2 809.3161 NA PeJP NA NA +PJ040841 SSNMWW C37H47N9O10S 809.3167 NA PeJP NA NA +PJ040842 SSSSQEW C33H47N9O15 809.3192 NA PeJP NA NA +PJ040843 SQQMMW C34H51N9O10S2 809.32 NA PeJP NA NA +PJ040844 TNQMMW C34H51N9O10S2 809.3201 NA PeJP NA NA +PJ040845 SSTQQEM C30H51N9O15S 809.3225 NA PeJP NA NA +PJ040846 SSNDKEM C30H51N9O15S 809.3226 NA PeJP NA NA +PJ040847 SPEEYW C38H47N7O13 809.3232 NA PeJP NA NA +PJ040848 AAQQMMM C31H55N9O10S3 809.3234 NA PeJP NA NA +PJ040849 GGGGGLMMM C31H55N9O10S3 809.3235 NA PeJP NA NA +PJ040850 DDMHHR C31H47N13O11S 809.3239 NA PeJP NA NA +PJ040851 CCKFFY C39H51N7O8S2 809.3241 NA PeJP NA NA +MJ095110 Aclacinomycin B C42H51NO15 809.325869 NA MeJP NA NA +MJ095111 Aclacinomycin Y C42H51NO15 809.325869 NA MeJP NA NA +PJ040852 AAPEEMY C35H51N7O13S 809.3266 NA PeJP NA NA +PJ040853 GSCCERR C28H51N13O11S2 809.3273 NA PeJP NA NA +PJ040854 GPPMMMF C36H55N7O8S3 809.3275 NA PeJP NA NA +PJ040855 AEMHHW C36H47N11O9S 809.3279 NA PeJP NA NA +PJ040856 TTTTEEE C31H51N7O18 809.3291 NA PeJP NA NA +PJ040857 PTTTEMM C32H55N7O13S2 809.3299 NA PeJP NA NA +PJ040858 GTLEEMM C32H55N7O13S2 809.33 NA PeJP NA NA +PJ040859 NNDERY C32H47N11O14 809.3304 NA PeJP NA NA +PJ040860 GGGGGGGGATY C32H47N11O14 809.3305 NA PeJP NA NA +PJ040861 GPLMMMM C33H59N7O8S4 809.3308 NA PeJP NA NA +PJ040862 SCQMRW C33H51N11O9S2 809.3313 NA PeJP NA NA +PJ040863 NEHHHH C33H43N15O10 809.3318 NA PeJP NA NA +PJ040864 ACHFFW C41H47N9O7S 809.332 NA PeJP NA NA +PJ040865 SSSNEMR C29H51N11O14S 809.3338 NA PeJP NA NA +PJ040866 GSSSTWW C37H47N9O12 809.3344 NA PeJP NA NA +PJ040867 GGAQEYW C37H47N9O12 809.3345 NA PeJP NA NA +PJ040868 NQMMMR C30H55N11O9S3 809.3347 NA PeJP NA NA +PJ040869 GSCNHHR C30H47N15O10S 809.3351 NA PeJP NA NA +PJ040870 GGGSCHHR C30H47N15O10S 809.3352 NA PeJP NA NA +PJ040871 GCKMWW C38H51N9O7S2 809.3353 NA PeJP NA NA +PJ040872 GSSDKMW C34H51N9O12S 809.3378 NA PeJP NA NA +MJ095112 Virginiamycin S4 C42H47N7O10 809.33844 NA MeJP NA NA +PJ040873 GNFFYY C42H47N7O10 809.3385 NA PeJP NA NA +PJ040874 GSSSSKEE C30H51N9O17 809.3403 NA PeJP NA NA +PJ040875 GSQKEMM C31H55N9O12S2 809.3412 NA PeJP NA NA +PJ040876 SSTNQHH C31H47N13O13 809.3416 NA PeJP NA NA +PJ040877 GPNDDHR C31H47N13O13 809.3417 NA PeJP NA NA +PJ040878 PVDMYW C39H51N7O10S 809.3418 NA PeJP NA NA +PJ040879 GPPDMFF C39H51N7O10S 809.3419 NA PeJP NA NA +PJ040880 SCCRRW C32H51N13O8S2 809.3425 NA PeJP NA NA +PJ040881 LQEEEY C35H51N7O15 809.3443 NA PeJP NA NA +PJ040882 GALEEEY C35H51N7O15 809.3444 NA PeJP NA NA +PJ040883 SSSCDRR C28H51N13O13S 809.345 NA PeJP NA NA +PJ040884 TLEMMW C36H55N7O10S2 809.3452 NA PeJP NA NA +PJ040885 GNDRYW C36H47N11O11 809.3457 NA PeJP NA NA +PJ040886 CNMMRR C29H55N13O8S3 809.3459 NA PeJP NA NA +PJ040887 GHHHHW C37H43N15O7 809.347 NA PeJP NA NA +PJ040888 STTLEEM C32H55N7O15S 809.3477 NA PeJP NA NA +PJ040889 GVLEMMM C33H59N7O10S3 809.3486 NA PeJP NA NA +PJ040890 GSSSMRW C33H51N11O11S 809.349 NA PeJP NA NA +PJ040891 GSPCQRY C33H51N11O11S 809.3491 NA PeJP NA NA +PJ040892 QQYWW C41H47N9O9 809.3497 NA PeJP NA NA +PJ040893 SSSSSNNK C29H51N11O16 809.3515 NA PeJP NA NA +PJ040894 GSSSSTER C29H51N11O16 809.3516 NA PeJP NA NA +PJ040895 GSTQMMR C30H55N11O11S2 809.3524 NA PeJP NA NA +PJ040896 STCKWW C38H51N9O9S 809.3531 NA PeJP NA NA +PJ040897 SSSSKEW C34H51N9O14 809.3556 NA PeJP NA NA +MJ095113 Rifamexil C42H55N3O11S 809.35573 NA MeJP NA NA +PJ040898 SQKMMW C35H55N9O9S2 809.3564 NA PeJP NA NA +PJ040899 GGTKMMW C35H55N9O9S2 809.3565 NA PeJP NA NA +PJ040900 NQQHHF C35H47N13O10 809.3569 NA PeJP NA NA +PJ040901 SSTQKEM C31H55N9O14S 809.3589 NA PeJP NA NA +PJ040902 GGSTTKEM C31H55N9O14S 809.359 NA PeJP NA NA +PJ040903 ALEEYW C39H51N7O12 809.3596 NA PeJP NA NA +PJ040904 LEMMMR C32H59N9O9S3 809.3598 NA PeJP NA NA +PJ040905 CNDFRR C32H51N13O10S 809.3603 NA PeJP NA NA +PJ040906 PVMMFW C40H55N7O7S2 809.3605 NA PeJP NA NA +PJ040907 GPQHWW C40H47N11O8 809.3609 NA PeJP NA NA +PJ040908 GGAPHWW C40H47N11O8 809.361 NA PeJP NA NA +PJ040909 GPTLEMY C36H55N7O12S 809.363 NA PeJP NA NA +PJ040910 GSTCMRR C29H55N13O10S2 809.3637 NA PeJP NA NA +PJ040911 VLMMMW C37H59N7O7S3 809.3638 NA PeJP NA NA +PJ040912 GNMFRW C37H51N11O8S 809.3643 NA PeJP NA NA +PJ040913 SSLLEMM C33H59N7O12S2 809.3663 NA PeJP NA NA +PJ040914 SSSSTRW C33H51N11O13 809.3668 NA PeJP NA NA +PJ040915 SCKMRW C34H55N11O8S2 809.3677 NA PeJP NA NA +PJ040916 DKHHHH C34H47N15O9 809.3682 NA PeJP NA NA +PJ040917 SSSDKMR C30H55N11O13S 809.3702 NA PeJP NA NA +PJ040918 GQKEYW C38H51N9O11 809.3708 NA PeJP NA NA +PJ040919 GGAPPPEW C38H51N9O11 809.3709 NA PeJP NA NA +PJ040920 NKMMMR C31H59N11O8S3 809.3711 NA PeJP NA NA +PJ040921 PPHHHW C39H47N13O7 809.3722 NA PeJP NA NA +PJ040922 GSTTKMW C35H55N9O11S 809.3742 NA PeJP NA NA +MJ095114 Virginiamycin S1; 4'-Deoxo C43H51N7O9 809.374826 NA MeJP NA NA +PJ040923 PPTFYW C43H51N7O9 809.3749 NA PeJP NA NA +PJ040924 GSSTTTKE C31H55N9O16 809.3767 NA PeJP NA NA +PJ040925 GSKKEMM C32H59N9O11S2 809.3776 NA PeJP NA NA +PJ040926 SNDRRY C32H51N13O12 809.378 NA PeJP NA NA +PJ040927 GGGPTEHR C32H51N13O12 809.3781 NA PeJP NA NA +PJ040928 PTLMYW C40H55N7O9S 809.3782 NA PeJP NA NA +PJ040929 VMMHHR C33H55N13O7S2 809.3789 NA PeJP NA NA +2687 NA GGCADGPTLREWISFCGG 809.37895 MH2+ Inhouse_peptide NA peptide +PJ040930 SHHHHR C33H47N17O8 809.3794 NA PeJP NA NA +PJ040931 LKEEEY C36H55N7O14 809.3807 NA PeJP NA NA +PJ040932 SSSSMRR C29H55N13O12S 809.3814 NA PeJP NA NA +PJ040933 GPVLMMY C37H59N7O9S2 809.3816 NA PeJP NA NA +PJ040934 GTQRYW C37H51N11O10 809.3821 NA PeJP NA NA +PJ040935 ATLLMMM C34H63N7O9S3 809.385 NA PeJP NA NA +PJ040936 VNQMRY C34H55N11O10S 809.3854 NA PeJP NA NA +PJ040937 GGGGLMRY C34H55N11O10S 809.3855 NA PeJP NA NA +PJ040938 QKYWW C42H51N9O8 809.3861 NA PeJP NA NA +PJ040939 SSSSSSLR C30H55N11O15 809.3879 NA PeJP NA NA +PJ040940 GSTKMMR C31H59N11O10S2 809.3888 NA PeJP NA NA +PJ040941 NQQQHR C31H51N15O11 809.3893 NA PeJP NA NA +PJ040942 AQKMFW C39H55N9O8S 809.3895 NA PeJP NA NA +PJ040943 SSTTTKW C35H55N9O13 809.3919 NA PeJP NA NA +PJ040944 TLEERY C35H55N9O13 809.392 NA PeJP NA NA +PJ040945 SKKMMW C36H59N9O8S2 809.3928 NA PeJP NA NA +PJ040946 SPQHRW C36H51N13O9 809.3933 NA PeJP NA NA +PJ040947 SSTKKEM C32H59N9O13S 809.3953 NA PeJP NA NA +PJ040948 SLLEYW C40H55N7O11 809.396 NA PeJP NA NA +PJ040949 AAKKMMM C33H63N9O8S3 809.3962 NA PeJP NA NA +PJ040950 GQMRRY C33H55N13O9S 809.3967 NA PeJP NA NA +PJ040951 GPKHWW C41H51N11O7 809.3973 NA PeJP NA NA +PJ040952 SSPLLMY C37H59N7O11S 809.3993 NA PeJP NA NA +PJ040953 AALLEMY C37H59N7O11S 809.3994 NA PeJP NA NA +PJ040954 NNNHRR C30H51N17O10 809.4005 NA PeJP NA NA +PJ040955 ACKFRW C38H55N11O7S 809.4007 NA PeJP NA NA +PJ040956 TTTLLMM C34H63N7O11S2 809.4027 NA PeJP NA NA +PJ040957 SQKERY C34H55N11O12 809.4032 NA PeJP NA NA +PJ040958 SSTTKMR C31H59N11O12S 809.4066 NA PeJP NA NA +PJ040959 GKKEYW C39H55N9O10 809.4072 NA PeJP NA NA +PJ040960 GCRRRY C32H55N15O8S 809.4079 NA PeJP NA NA +PJ040961 VLEMRY C36H59N9O10S 809.4106 NA PeJP NA NA +PJ040962 PVVFYW C44H55N7O8 809.4112 NA PeJP NA NA +PJ040963 GPPVFFF C44H55N7O8 809.4113 NA PeJP NA NA +PJ040964 SSSSTTLK C32H59N9O15 809.4131 NA PeJP NA NA +PJ040965 ATTKKMM C33H63N9O10S2 809.414 NA PeJP NA NA +PJ040966 STQRRY C33H55N13O11 809.4144 NA PeJP NA NA +PJ040967 GGAALEHR C33H55N13O11 809.4145 NA PeJP NA NA +PJ040968 VVLMYW C41H59N7O8S 809.4146 NA PeJP NA NA +PJ040969 ATTLLEY C37H59N7O13 809.4171 NA PeJP NA NA +PJ040970 GVLLMMF C38H63N7O8S2 809.418 NA PeJP NA NA +PJ040971 GTKRYW C38H55N11O9 809.4185 NA PeJP NA NA +MJ095115 Protoverine; 3-[(2S,3R)-2,3-Dihydroxy-2-methylbutanoyl], O6,O7-Di-Ac, O15-(R)-2-methylbutanoyl C41H63NO15 809.41977 NA MeJP NA NA +MJ095116 Protoverine; O6,O7-Di-Ac, O15-(R)-2-methylbutanoyl, O3-(+)-threo-2,3-dihydroxy-2-methylbutanoyl C41H63NO15 809.41977 NA MeJP NA NA +C10816 Protoveratrine B C41H63NO15 809.4198 NA KEGG NA NA +PJ040972 VNKMRY C35H59N11O9S 809.4218 NA PeJP NA NA +PJ040973 KKYWW C43H55N9O7 809.4225 NA PeJP NA NA +PJ040974 VNEHRR C32H55N15O10 809.4257 NA PeJP NA NA +PJ040975 AKKMFW C40H59N9O7S 809.4259 NA PeJP NA NA +PJ040976 DKKKEY C36H59N9O12 809.4283 NA PeJP NA NA +PJ040977 GSVKKEY C36H59N9O12 809.4284 NA PeJP NA NA +PJ040978 LLMMFR C37H63N9O7S2 809.4292 NA PeJP NA NA +PJ040979 SPKHRW C37H55N13O8 809.4297 NA PeJP NA NA +8152 peptide derived from ovine aS2-casein (203û208) PYVRYL 809.431 stimulating Inhouse_peptide NA peptide +8178 peptide derived from ovine aS2-casein (203û208) PYVRYL 809.431 antibacterial Inhouse_peptide NA peptide +8262 f(203-208) of ovine alpha s2-casein PYVRYL 809.431 NA ;SYN:1-Aminoethane-2-sulfonate; 1-Aminoethane-2-sulfonic acid; 2-Aminoethanesulfonate; 2-Aminoethanesulfonic acid; 2-Aminoethylsulfonate; 2-Aminoethylsulfonic acid; 2-Sulfoethylamine; Aminoethylsulfonate; Aminoethylsulfonic acid; Taurine; b-Aminoethylsulfonate; b-Aminoethylsulfonic acid; beta-Aminoethylsulfonate; beta-Aminoethylsulfonic acidH2Bile; Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ040980 TTTTKKM C33H63N9O12S 809.4317 NA PeJP NA NA +PJ040981 AAPLLYY C41H59N7O10 809.4324 NA PeJP NA NA +PJ040982 GKMRRY C34H59N13O8S 809.4331 NA PeJP NA NA +PJ040983 GTLLLMY C38H63N7O10S 809.4357 NA PeJP NA NA +PJ040984 GEHRRR C31H55N17O9 809.4369 NA PeJP NA NA +PJ040985 SKKERY C35H59N11O11 809.4396 NA PeJP NA NA +PJ040986 GVHRRW C36H55N15O7 809.4409 NA PeJP NA NA +PJ040987 SVKKYW C40H59N9O9 809.4436 NA PeJP NA NA +PJ040988 LQKKMY C37H63N9O9S 809.447 NA PeJP NA NA +PJ040989 VVLFFW C45H59N7O7 809.4476 NA PeJP NA NA +MJ095117 Pimecrolimus C43H68ClNO11 809.448089 NA MeJP NA NA +PJ040990 STKRRY C34H59N13O10 809.4508 NA PeJP NA NA +PJ040991 HRRRW C35H55N17O6 809.4522 NA PeJP NA NA +PJ040992 STTLLLY C38H63N7O12 809.4535 NA PeJP NA NA +PJ040993 AAPPLRW C39H59N11O8 809.4548 NA PeJP NA NA +PJ040994 GPPVVRW C39H59N11O8 809.4549 NA PeJP NA NA +MJ095118 3,24-Dihydroxy-12-oleanen-29-oic acid, Amide, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H67NO14 809.456155 NA MeJP NA NA +PJ040995 CLKKRY C36H63N11O8S 809.4582 NA PeJP NA NA +PJ040996 PPERRR C33H59N15O9 809.4621 NA PeJP NA NA +PJ040997 GTTLKKY C37H63N9O11 809.4647 NA PeJP NA NA +PJ040998 AAPPVVKE C37H63N9O11 809.4648 NA PeJP NA NA +PJ040999 PPVRRW C38H59N13O7 809.4661 NA PeJP NA NA +PJ041000 AALLLFY C42H63N7O9 809.4688 NA PeJP NA NA +PJ041001 SVHRRR C32H59N17O8 809.4733 NA PeJP NA NA +PJ041002 APPLKER C36H63N11O10 809.476 NA PeJP NA NA +PJ041003 GPPLLKW C41H63N9O8 809.48 NA PeJP NA NA +PJ041004 LKKKMY C38H67N9O8S 809.4834 NA PeJP NA NA +PJ041005 APPTLRR C35H63N13O9 809.4872 NA PeJP NA NA +PJ041006 VLKKHW C40H63N11O7 809.4912 NA PeJP NA NA +MJ095119 Pitipeptolide A; 7,8-Dihydro C44H67N5O9 809.493878 NA MeJP NA NA +PJ041007 TLKHRR C34H63N15O8 809.4984 NA PeJP NA NA +HMDB09474 PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C47H72NO8P 809.499573 NA HMDB2010 NA NA +HMDB09698 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C47H72NO8P 809.499573 NA HMDB2010 NA NA +PJ041008 TTLLLLH C38H67N9O10 809.5011 NA PeJP NA NA +PJ041009 SPPLLKR C37H67N11O9 809.5124 NA PeJP NA NA +PJ041010 LKKKFF C42H67N9O7 809.5164 NA PeJP NA NA +HMDB12394 PS(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C44H76NO10P 809.520691 NA HMDB2010 NA NA +HMDB12404 PS(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)) C44H76NO10P 809.520691 NA HMDB2010 NA NA +HMDB12424 PS(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) C44H76NO10P 809.520691 NA HMDB2010 NA NA +HMDB12434 PS(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) C44H76NO10P 809.520691 NA HMDB2010 NA NA +PJ041011 GPVLLRR C36H67N13O8 809.5236 NA PeJP NA NA +PJ041012 PLLLLLE C40H71N7O10 809.5263 NA PeJP NA NA +PJ041013 PLLRRR C35H67N15O7 809.5348 NA PeJP NA NA +PJ041014 PVLLLQK C39H71N9O9 809.5375 NA PeJP NA NA +PJ041015 APLLLKR C38H71N11O8 809.5487 NA PeJP NA NA +PJ041016 PVLLLKK C40H75N9O8 809.5739 NA PeJP NA NA +MJ095120 Diacylphosphatidylcarnitine; Dihexadecanoylphosphatidylcarnitine C42H84NO11P 809.578199 NA MeJP NA NA +EUR960 PC 36:1 [M+Na]+ C44H86NO8P 809.591053 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR960 PC 36:1 [M+Na]+ C44H86NO8P 809.591053 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR960 PC 36:1 [M+Na]+ C44H86NO8P 809.591053 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR960 PC 36:1 [M+Na]+ C44H86NO8P 809.591053 masses lipides attendues Inhousejuil11 NA NA +HMDB07988 PC(16:0/22:4(7Z,10Z,13Z,16Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08048 PC(18:0/20:4(5Z,8Z,11Z,14Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08049 PC(18:0/20:4(8Z,11Z,14Z,17Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08079 PC(18:1(11Z)/20:3(5Z,8Z,11Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08080 PC(18:1(11Z)/20:3(8Z,11Z,14Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08112 PC(18:1(9Z)/20:3(5Z,8Z,11Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08113 PC(18:1(9Z)/20:3(8Z,11Z,14Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08145 PC(18:2(9Z,12Z)/20:2(11Z,14Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08176 PC(18:3(6Z,9Z,12Z)/20:1(11Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08209 PC(18:3(9Z,12Z,15Z)/20:1(11Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08241 PC(18:4(6Z,9Z,12Z,15Z)/20:0) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08273 PC(20:0/18:4(6Z,9Z,12Z,15Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08304 PC(20:1(11Z)/18:3(6Z,9Z,12Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08305 PC(20:1(11Z)/18:3(9Z,12Z,15Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08336 PC(20:2(11Z,14Z)/18:2(9Z,12Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08367 PC(20:3(5Z,8Z,11Z)/18:1(11Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08368 PC(20:3(5Z,8Z,11Z)/18:1(9Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08400 PC(20:3(8Z,11Z,14Z)/18:1(11Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08401 PC(20:3(8Z,11Z,14Z)/18:1(9Z)) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08431 PC(20:4(5Z,8Z,11Z,14Z)/18:0) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08464 PC(20:4(8Z,11Z,14Z,17Z)/18:0) C46H84NO8P 809.593445 NA HMDB2010 NA NA +HMDB08626 PC(22:4(7Z,10Z,13Z,16Z)/16:0) C46H84NO8P 809.593445 NA HMDB2010 NA NA +MJ095121 Phosphatidylcholine; Glycerol 2-(5,8,11,14-eicosatetraenoate) 1-octadecanoate 3-phosphocholine C46H84NO8P 809.593455 NA MeJP NA NA +EUR994 PC 38:4 monoisotopic mass C46H84NO8P 809.593457 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR994 PC 38:4 monoisotopic mass C46H84NO8P 809.593457 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR994 PC 38:4 monoisotopic mass C46H84NO8P 809.593457 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR994 PC 38:4 monoisotopic mass C46H84NO8P 809.593457 masses lipides attendues Inhousejuil11 NA NA +PJ041017 LLLLLLL C42H79N7O8 809.599 NA PeJP NA NA +PJ041018 IILLLLL C42H79N7O8 809.5991 NA PeJP NA NA +MJ095122 2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxydocosanoyl), 1-O-?-D-glucopyranoside C47H87NO9 809.638083 NA MeJP NA NA +EUR1129 SM(d18:1/24:4) monoisotopic mass C47H90N2O6P 809.653651 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1129 SM(d18:1/24:4) monoisotopic mass C47H90N2O6P 809.653651 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1129 SM(d18:1/24:4) monoisotopic mass C47H90N2O6P 809.653651 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1129 SM(d18:1/24:4) monoisotopic mass C47H90N2O6P 809.653651 masses lipides attendues Inhousejuil11 NA NA +MJ095123 2-Amino-4-octadecene-1,3-diol, N-(15Z-Tetracosenoyl), 1-O-?-D-galactopyranoside C48H91NO8 809.674468 NA MeJP NA NA +HMDB04975 Glucosylceramide (d18:1/24:1(15Z)) C48H91NO8 809.6745 http://www.hmdb.ca/metabolites/HMDB04975 HMDB NA NA +HMDB04975 Glucosylceramide (d18:1/24:1(15Z)) C48H91NO8 809.6745 HMDB04975 PFEM_hmdb_metabocards_official NA NA +HMDB04975 Glucosylceramide (d18:1/24:1(15Z)) C48H91NO8 809.6745 NA HMDB2010 NA NA +HMDB10712 Galactosylceramide (d18:1/24:1(15Z)) C48H91NO8 809.6745 NA HMDB2010 NA NA +PJ041019 ACCCCCCC C24H42N8O9S7 810.112 NA PeJP NA NA +PJ041020 SSCCCCCC C24H42N8O11S6 810.1298 NA PeJP NA NA +PJ041021 CCCCCNY C28H42N8O10S5 810.1628 NA PeJP NA NA +MJ095124 Cycleanine, Methobromide (1:2) C40H48Br2N2O6 810.187912 NA MeJP NA NA +PJ041022 CCCCNEH C27H42N10O11S4 810.1918 NA PeJP NA NA +MJ095125 myo-Inositol; Hexakis(3-pyridinecarbonyl) C42H30N6O12 810.19217 NA MeJP NA NA +PJ041023 CNDDDDD C27H38N8O19S 810.1974 NA PeJP NA NA +PJ041024 GCCCCHW C31H42N10O8S4 810.207 NA PeJP NA NA +PJ041025 GSSCCCDH C27H42N10O13S3 810.2095 NA PeJP NA NA +PJ041026 GSPCCDDD C28H42N8O16S2 810.2161 NA PeJP NA NA +PJ041027 GPPCCCCE C29H46N8O11S4 810.2169 NA PeJP NA NA +PJ041028 CCNNNDE C27H42N10O15S2 810.2273 NA PeJP NA NA +PJ041029 SCCCQMH C28H46N10O10S4 810.2281 NA PeJP NA NA +PJ041030 TCCCNMH C28H46N10O10S4 810.2282 NA PeJP NA NA +PJ041031 PPCCCCW C33H46N8O8S4 810.2322 NA PeJP NA NA +PJ041032 SNDDDDM C28H42N8O18S 810.2338 NA PeJP NA NA +PJ041033 PCCNDEM C29H46N8O13S3 810.2347 NA PeJP NA NA +PJ041034 CCEMYY C34H46N6O11S3 810.2387 NA PeJP NA NA +PJ041035 SCCCCHR C27H46N12O9S4 810.2394 NA PeJP NA NA +PJ041036 GCCNNDW C31H42N10O12S2 810.2425 NA PeJP NA NA +PJ041037 GGGCCNDW C31H42N10O12S2 810.2426 NA PeJP NA NA +PJ041038 GSSCNNDD C27H42N10O17S 810.245 NA PeJP NA NA +PJ041039 GGGSSCNDD C27H42N10O17S 810.2451 NA PeJP NA NA +PJ041040 PCCCDDR C28H46N10O12S3 810.2459 NA PeJP NA NA +PJ041041 GSCDDEW C32H42N8O15S 810.2491 NA PeJP NA NA +PJ041042 GPCCDMW C33H46N8O10S3 810.2499 NA PeJP NA NA +PJ041043 GSSSDDDE C28H42N8O20 810.2516 NA PeJP NA NA +PJ041044 GNDDEMM C29H46N8O15S2 810.2524 NA PeJP NA NA +PJ041045 GGGDDEMM C29H46N8O15S2 810.2525 NA PeJP NA NA +PJ041046 GPPTCCCM C30H50N8O10S4 810.2533 NA PeJP NA NA +MJ095126 Ussurienoside I; O-De-Me, 3'-O-[4-hydroxy-E-cinnamoyl-(?4)-?-D-glucopyranoside] C37H46O20 810.258243 NA MeJP NA NA +MJ095127 Ussurienoside I; O-De-Me, 3'-O-[4-hydroxy-Z-cinnamoyl-(?4)-?-D-glucopyranoside] C37H46O20 810.258243 NA MeJP NA NA +PJ041047 GCCNMHF C32H46N10O9S3 810.2612 NA PeJP NA NA +PJ041048 GCDDDMR C28H46N10O14S2 810.2637 NA PeJP NA NA +MJ095128 Xylohexaose C30H50O25 810.264117 NA MeJP NA NA +PJ041049 SCDDWW C36H42N8O12S 810.2643 NA PeJP NA NA +PJ041050 SCCCKMH C29H50N10O9S4 810.2645 NA PeJP NA NA +PJ041051 SSSDDDW C32H42N8O17 810.2668 NA PeJP NA NA +PJ041052 NDDMMW C33H46N8O12S2 810.2677 NA PeJP NA NA +PJ041053 SSNDEEM C29H46N8O17S 810.2702 NA PeJP NA NA +PJ041054 SPCNEMM C30H50N8O12S3 810.2711 NA PeJP NA NA +PJ041055 GCNDEHH C30H42N12O13S 810.2715 NA PeJP NA NA +PJ041056 GGGCDEHH C30H42N12O13S 810.2716 NA PeJP NA NA +PJ041057 PCCYYY C38H46N6O10S2 810.2717 NA PeJP NA NA +PJ041058 MMMMMH C31H54N8O7S5 810.2719 NA PeJP NA NA +MJ095129 Catalpol; 6-O-(2,3-Di-O-cinnamoyl-4-O-acetyl-?-L-rhamnopyranoside) C41H46O17 810.2735 NA MeJP NA NA +MJ095130 Catalpol; 6-O-(3,4-di-O-Cinnamoyl-2-O-acetyl-?-L-rhamnopyranoside) C41H46O17 810.2735 NA MeJP NA NA +PJ041059 SCCNNDR C27H46N12O13S2 810.2749 NA PeJP NA NA +PJ041060 TCMMYY C35H50N6O10S3 810.2751 NA PeJP NA NA +PJ041061 GNNNDDY C31H42N10O16 810.2781 NA PeJP NA NA +PJ041062 CCDERW C32H46N10O11S2 810.2789 NA PeJP NA NA +PJ041063 GGGGGGPCCF C32H46N10O11S2 810.279 NA PeJP NA NA +PJ041064 SSCDDER C28H46N10O16S 810.2814 NA PeJP NA NA +PJ041065 NDDDFW C36H42N8O14 810.2821 NA PeJP NA NA +PJ041066 SPCCDMR C29H50N10O11S3 810.2823 NA PeJP NA NA +PJ041067 ACDMWW C37H46N8O9S2 810.2829 NA PeJP NA NA +PJ041068 GCEMWW C37H46N8O9S2 810.283 NA PeJP NA NA +PJ041069 SSVCDDW C33H46N8O14S 810.2854 NA PeJP NA NA +PJ041070 GSSDEMW C33H46N8O14S 810.2855 NA PeJP NA NA +PJ041071 GSPCMMW C34H50N8O9S3 810.2863 NA PeJP NA NA +PJ041072 CNDHHW C34H42N12O10S 810.2868 NA PeJP NA NA +PJ041073 ASSSSDEE C29H46N8O19 810.2879 NA PeJP NA NA +PJ041074 GSSSSEEE C29H46N8O19 810.288 NA PeJP NA NA +PJ041075 GSQEEMM C30H50N8O14S2 810.2888 NA PeJP NA NA +PJ041076 SSNDDHH C30H42N12O15 810.2893 NA PeJP NA NA +PJ041077 GDMYYY C38H46N6O12S 810.2895 NA PeJP NA NA +PJ041078 GPNMMMM C31H54N8O9S4 810.2897 NA PeJP NA NA +PJ041079 SPCCQHH C31H46N12O10S2 810.2902 NA PeJP NA NA +PJ041080 EEEEEF C34H46N6O17 810.292 NA PeJP NA NA +PJ041081 GCCNQMR C28H50N12O10S3 810.2935 NA PeJP NA NA +PJ041082 GGGGACCMR C28H50N12O10S3 810.2936 NA PeJP NA NA +PJ041083 SSSCNQW C32H46N10O13S 810.2967 NA PeJP NA NA +PJ041084 ACCCKHF C33H50N10O8S3 810.2976 NA PeJP NA NA +PJ041085 CMWWW C41H46N8O6S2 810.2982 NA PeJP NA NA +PJ041086 SSSSSNNE C28H46N10O18 810.2992 NA PeJP NA NA +PJ041087 SSNNQMM C29H50N10O13S2 810.3 NA PeJP NA NA +PJ041088 GSDDMMR C29H50N10O13S2 810.3001 NA PeJP NA NA +PJ041089 SSDMWW C37H46N8O11S 810.3007 NA PeJP NA NA +PJ041090 APCCMMR C30H54N10O8S4 810.3009 NA PeJP NA NA +PJ041091 SSSSEEW C33H46N8O16 810.3032 NA PeJP NA NA +PJ041092 SQEMMW C34H50N8O11S2 810.3041 NA PeJP NA NA +PJ041093 GCCCNRR C27H50N14O9S3 810.3048 NA PeJP NA NA +PJ041094 CMHHHF C35H46N12O7S2 810.3054 NA PeJP NA NA +PJ041095 SSTQEEM C30H50N8O16S 810.3066 NA PeJP NA NA +PJ041096 SSEYYY C38H46N6O14 810.3072 NA PeJP NA NA +PJ041097 AAQEMMM C31H54N8O11S3 810.3074 NA PeJP NA NA +PJ041098 GVNEMMM C31H54N8O11S3 810.3075 NA PeJP NA NA +PJ041099 GSNEMHH C31H46N12O12S 810.3079 NA PeJP NA NA +PJ041100 GMMFYY C39H50N6O9S2 810.3081 NA PeJP NA NA +PJ041101 SSCNNMR C28H50N12O12S2 810.3113 NA PeJP NA NA +PJ041102 CNNQFW C36H46N10O10S 810.3119 NA PeJP NA NA +PJ041103 GGGGCQFW C36H46N10O10S 810.312 NA PeJP NA NA +PJ041104 GSSSSSNW C32H46N10O15 810.3144 NA PeJP NA NA +PJ041105 GGDDERY C32H46N10O15 810.3145 NA PeJP NA NA +PJ041106 SCEMRW C33H50N10O10S2 810.3153 NA PeJP NA NA +PJ041107 DEHHHH C33H42N14O11 810.3158 NA PeJP NA NA +PJ041108 GPCYWW C41H46N8O8S 810.316 NA PeJP NA NA +PJ041109 SSSDEMR C29H50N10O15S 810.3178 NA PeJP NA NA +PJ041110 GQEEYW C37H46N8O13 810.3185 NA PeJP NA NA +PJ041111 NEMMMR C30H54N10O10S3 810.3187 NA PeJP NA NA +PJ041112 GSCDHHR C30H46N14O11S 810.3192 NA PeJP NA NA +PJ041113 GTMMWW C38H50N8O8S2 810.3193 NA PeJP NA NA +PJ041114 GSTTEMW C34H50N8O13S 810.3218 NA PeJP NA NA +PJ041115 GGAAEEMF C34H50N8O13S 810.3219 NA PeJP NA NA +PJ041116 GDFFYY C42H46N6O11 810.3225 NA PeJP NA NA +PJ041117 VNMMMW C35H54N8O8S3 810.3227 NA PeJP NA NA +PJ041118 SNMHHW C35H46N12O9S 810.3232 NA PeJP NA NA +PJ041119 GSSTTTEE C30H50N8O18 810.3243 NA PeJP NA NA +PJ041120 GSKEEMM C31H54N8O13S2 810.3252 NA PeJP NA NA +PJ041121 GPDDDHR C31H46N12O14 810.3257 NA PeJP NA NA +PJ041122 ATMYYY C39H50N6O11S 810.3258 NA PeJP NA NA +PJ041123 APCKMMM C32H58N8O8S4 810.3261 NA PeJP NA NA +PJ041124 QQMMHH C32H50N12O9S2 810.3265 NA PeJP NA NA +PJ041125 GAQMMHH C32H50N12O9S2 810.3266 NA PeJP NA NA +PJ041126 LEEEEY C35H50N6O16 810.3284 NA PeJP NA NA +PJ041127 GSSSSCQR C28H50N12O14S 810.329 NA PeJP NA NA +PJ041128 GGASSSSCR C28H50N12O14S 810.3291 NA PeJP NA NA +PJ041129 GDDRYW C36H46N10O12 810.3297 NA PeJP NA NA +PJ041130 CDMMRR C29H54N12O9S3 810.3299 NA PeJP NA NA +PJ041131 PCCFRW C37H50N10O7S2 810.3306 NA PeJP NA NA +PJ041132 SSSCNKW C33H50N10O12S 810.3331 NA PeJP NA NA +PJ041133 QEYWW C41H46N8O10 810.3337 NA PeJP NA NA +PJ041134 GMMMRW C34H54N10O7S3 810.3339 NA PeJP NA NA +PJ041135 SSSSSNDK C29H50N10O17 810.3356 NA PeJP NA NA +PJ041136 GSTEMMR C30H54N10O12S2 810.3364 NA PeJP NA NA +PJ041137 GGGGSSKMM C30H54N10O12S2 810.3365 NA PeJP NA NA +PJ041138 GNNNQQH C30H46N14O13 810.3369 NA PeJP NA NA +PJ041139 GGGGGGGGGAAH C30H46N14O13 810.337 NA PeJP NA NA +PJ041140 STTMWW C38H50N8O10S 810.3371 NA PeJP NA NA +PJ041141 CQMHHR C31H50N14O8S2 810.3378 NA PeJP NA NA +PJ041142 SSTTTEW C34H50N8O15 810.3396 NA PeJP NA NA +PJ041143 SKEMMW C35H54N8O10S2 810.3405 NA PeJP NA NA +PJ041144 GSSTHHW C35H46N12O11 810.3409 NA PeJP NA NA +PJ041145 GGGGGSPHW C35H46N12O11 810.341 NA PeJP NA NA +PJ041146 GMFFFY C43H50N6O8S 810.3411 NA PeJP NA NA +PJ041147 SSTKEEM C31H54N8O15S 810.343 NA PeJP NA NA +PJ041148 TTTYYY C39H50N6O13 810.3436 NA PeJP NA NA +PJ041149 AAKEMMM C32H58N8O10S3 810.3438 NA PeJP NA NA +PJ041150 NNNMRY C32H50N12O11S 810.3443 NA PeJP NA NA +PJ041151 GPEHWW C40H46N10O9 810.345 NA PeJP NA NA +PJ041152 SSSSSSNR C28H50N12O16 810.3468 NA PeJP NA NA +MJ095131 Kisantine C44H50N4O11 810.347608 NA MeJP NA NA +PJ041153 SSCCQKR C29H54N12O11S2 810.3477 NA PeJP NA NA +PJ041154 SPCRYW C37H50N10O9S 810.3483 NA PeJP NA NA +PJ041155 AYWWW C45H46N8O7 810.349 NA PeJP NA NA +PJ041156 SQEERY C33H50N10O14 810.3508 NA PeJP NA NA +PJ041157 GGGGASPPPD C33H50N10O14 810.3509 NA PeJP NA NA +PJ041158 STMMRW C34H54N10O9S2 810.3517 NA PeJP NA NA +PJ041159 AAMFWW C42H50N8O7S 810.3523 NA PeJP NA NA +PJ041160 GCLFWW C42H50N8O7S 810.3524 NA PeJP NA NA +PJ041161 SSTTEMR C30H54N10O14S 810.3542 NA PeJP NA NA +PJ041162 ADKEYW C38H50N8O12 810.3548 NA PeJP NA NA +PJ041163 GKEEYW C38H50N8O12 810.3549 NA PeJP NA NA +PJ041164 DKMMMR C31H58N10O9S3 810.3551 NA PeJP NA NA +PJ041165 GSSMHHR C31H50N14O10S 810.3555 NA PeJP NA NA +PJ041166 GGGPCQHR C31H50N14O10S 810.3556 NA PeJP NA NA +PJ041167 PCKMFW C39H54N8O7S2 810.3557 NA PeJP NA NA +PJ041168 GQHHFW C39H46N12O8 810.3562 NA PeJP NA NA +PJ041169 SSSTLMW C35H54N8O12S 810.3582 NA PeJP NA NA +MJ095132 RA-IX C43H50N6O10 810.358841 NA MeJP NA NA +PJ041170 GVFYYY C43H50N6O10 810.3589 NA PeJP NA NA +PJ041171 CLKMMW C36H58N8O7S3 810.3591 NA PeJP NA NA +PJ041172 TCKHHW C36H50N12O8S 810.3596 NA PeJP NA NA +PJ041173 PHWWW C44H46N10O6 810.3602 NA PeJP NA NA +PJ041174 SSSSTTLE C31H54N8O17 810.3607 NA PeJP NA NA +PJ041175 ATTKEMM C32H58N8O12S2 810.3616 NA PeJP NA NA +PJ041176 SDDRRY C32H50N12O13 810.3621 NA PeJP NA NA +PJ041177 APPCMHR C33H54N12O8S2 810.3629 NA PeJP NA NA +PJ041178 GSSSSCKR C29H54N12O13S 810.3654 NA PeJP NA NA +PJ041179 GTERYW C37H50N10O11 810.3661 NA PeJP NA NA +PJ041180 SMMMRR C30H58N12O8S3 810.3663 NA PeJP NA NA +PJ041181 PHHHHF C38H46N14O7 810.3674 NA PeJP NA NA +PJ041182 VNEMRY C34H54N10O11S 810.3694 NA PeJP NA NA +PJ041183 GGVEMRY C34H54N10O11S 810.3695 NA PeJP NA NA +PJ041184 KEYWW C42H50N8O9 810.3701 NA PeJP NA NA +MJ095133 Cholest-22-ene-3,6,7,8,15,24-hexol, 3,24-Di-O-?-D-xylopyranoside, 15-sulfate C37H62O17S 810.370771 NA MeJP NA NA +PJ041185 LMHHHH C35H50N14O7S 810.3708 NA PeJP NA NA +PJ041186 SSSSSTQK C30H54N10O16 810.3719 NA PeJP NA NA +PJ041187 GGSSSSTTK C30H54N10O16 810.372 NA PeJP NA NA +PJ041188 SSSLMMR C31H58N10O11S2 810.3728 NA PeJP NA NA +PJ041189 SSSTHHR C31H50N14O12 810.3733 NA PeJP NA NA +PJ041190 SPKMYW C39H54N8O9S 810.3735 NA PeJP NA NA +PJ041191 GFFFFF C47H50N6O7 810.3741 NA PeJP NA NA +PJ041192 CKMHHR C32H54N14O7S2 810.3742 NA PeJP NA NA +PJ041193 TTTTTTW C35H54N8O14 810.376 NA PeJP NA NA +PJ041194 AAPKMMY C36H58N8O9S2 810.3768 NA PeJP NA NA +PJ041195 GPCLKMY C36H58N8O9S2 810.3769 NA PeJP NA NA +PJ041196 SPEHRW C36H50N12O10 810.3773 NA PeJP NA NA +PJ041197 TTTTKEM C32H58N8O14S 810.3793 NA PeJP NA NA +PJ041198 GTLKMMM C33H62N8O9S3 810.3802 NA PeJP NA NA +PJ041199 GEMRRY C33H54N12O10S 810.3807 NA PeJP NA NA +PJ041200 TRYWW C41H50N10O8 810.3813 NA PeJP NA NA +MJ095134 Gardmultine C45H54N4O10 810.383993 NA MeJP NA NA +PJ041201 SSCCKKR C30H58N12O10S2 810.3841 NA PeJP NA NA +PJ041202 NNDHRR C30H50N16O11 810.3845 NA PeJP NA NA +PJ041203 GGGGDHRR C30H50N16O11 810.3846 NA PeJP NA NA +PJ041204 GVMRYW C38H54N10O8S 810.3847 NA PeJP NA NA +PJ041205 SKEERY C34H54N10O13 810.3872 NA PeJP NA NA +PJ041206 VQMMFR C35H58N10O8S2 810.3881 NA PeJP NA NA +PJ041207 GQQHRW C35H50N14O9 810.3886 NA PeJP NA NA +PJ041208 TTTTTMR C31H58N10O13S 810.3906 NA PeJP NA NA +PJ041209 SVKEYW C39H54N8O11 810.3912 NA PeJP NA NA +PJ041210 GGAALEFF C39H54N8O11 810.3913 NA PeJP NA NA +PJ041211 ACCKKKM C32H62N10O8S3 810.3915 NA PeJP NA NA +PJ041212 PDMHRR C32H54N14O9S 810.3919 NA PeJP NA NA +PJ041213 GKHHFW C40H50N12O7 810.3926 NA PeJP NA NA +MJ095135 Halomicin A C43H58N2O13 810.393889 NA MeJP NA NA +MJ095136 Halomicin C C43H58N2O13 810.393889 NA MeJP NA NA +MJ095137 Rifamycin B; Diethylamide C43H58N2O13 810.393889 NA MeJP NA NA +PJ041214 LQKEMY C36H58N8O11S 810.3946 NA PeJP NA NA +PJ041215 MRRYW C37H54N12O7S 810.3959 NA PeJP NA NA +PJ041216 PCLHRW C37H54N12O7S 810.396 NA PeJP NA NA +PJ041217 SSTTTTTL C32H58N8O16 810.3971 NA PeJP NA NA +PJ041218 STTLKMM C33H62N8O11S2 810.398 NA PeJP NA NA +PJ041219 STERRY C33H54N12O12 810.3984 NA PeJP NA NA +PJ041220 GGGSSKRY C33H54N12O12 810.3985 NA PeJP NA NA +PJ041221 AMMFRR C34H58N12O7S2 810.3993 NA PeJP NA NA +PJ041222 PQHHHR C34H50N16O8 810.3998 NA PeJP NA NA +PJ041223 SSLRYW C38H54N10O10 810.4025 NA PeJP NA NA +MJ095138 2,3,16,21-Tetrahydroxy-12-oleanene-23,28-dioic acid, 28?21 Lactone, 3-O-[?-D-xylopyranosyl-(1?4)-?-D-glucopyranoside] C41H62O16 810.403785 NA MeJP NA NA +MJ095139 21,23:22,28:26,28-Triepoxystigmasta-8,14-diene-3,21,24-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C41H62O16 810.403785 NA MeJP NA NA +MJ095140 Fevicordin F; 22-Deoxy, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C41H62O16 810.403785 NA MeJP NA NA +MJ095141 Hederagenin 3-glycosides; Diglycosides, 3-O-[(2-Carboxy-1-carboxymethoxy-2-hydroxyethyl)-(?3)-?-D-glucuronopyranoside] C41H62O16 810.403785 NA MeJP NA NA +MJ095142 Norarjunolic acid; 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester C41H62O16 810.403785 NA MeJP NA NA +PJ041224 VDKMRY C35H58N10O10S 810.4058 NA PeJP NA NA +PJ041225 GGGAKKMY C35H58N10O10S 810.4059 NA PeJP NA NA +PJ041226 APKFYW C43H54N8O8 810.4065 NA PeJP NA NA +MJ095143 Cholestane-3,6,8,15,24-pentol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-5-O-sulfo-?-L-arabinofuranoside] C38H66O16S 810.407156 NA MeJP NA NA +PJ041227 SSSSSTKK C31H58N10O15 810.4083 NA PeJP NA NA +PJ041228 SSCKKKM C32H62N10O10S2 810.4092 NA PeJP NA NA +PJ041229 VDEHRR C32H54N14O11 810.4097 NA PeJP NA NA +PJ041230 ALKMYW C40H58N8O8S 810.4099 NA PeJP NA NA +PJ041231 PTTTTKY C36H58N8O13 810.4123 NA PeJP NA NA +PJ041232 GTTLKEY C36H58N8O13 810.4124 NA PeJP NA NA +PJ041233 AALKMMF C37H62N8O8S2 810.4132 NA PeJP NA NA +PJ041234 ALEHRW C37H54N12O9 810.4137 NA PeJP NA NA +PJ041235 SVMRRY C34H58N12O9S 810.4171 NA PeJP NA NA +PJ041236 GLLHWW C42H54N10O7 810.4177 NA PeJP NA NA +MJ095144 Leurosidine C46H58N4O9 810.420379 NA MeJP NA NA +MJ095145 Vinblastine C46H58N4O9 810.420379 NA MeJP NA NA +MJ095146 Vincovaline C46H58N4O9 810.420379 NA MeJP NA NA +C07201 Vinblastine C46H58N4O9 810.4204 NA KEGG NA NA +C09218 Leurosidine C46H58N4O9 810.4204 NA KEGG NA NA +PJ041237 SQQHRR C31H54N16O10 810.4209 NA PeJP NA NA +PJ041238 PLKMHW C39H58N10O7S 810.4211 NA PeJP NA NA +PJ041239 GTTTLRY C35H58N10O12 810.4236 NA PeJP NA NA +PJ041240 VKMMFR C36H62N10O7S2 810.4245 NA PeJP NA NA +PJ041241 GQKHRW C36H54N14O8 810.4249 NA PeJP NA NA +PJ041242 GGAKHRW C36H54N14O8 810.425 NA PeJP NA NA +MJ095147 Nodularin; 3'-Demethyl C40H58N8O10 810.42759 NA MeJP NA NA +MJ095148 Nodularin; 9-O-De-Me C40H58N8O10 810.42759 NA MeJP NA NA +PJ041243 TTLKYW C40H58N8O10 810.4276 NA PeJP NA NA +PJ041244 FFRRW C41H54N12O6 810.429 NA PeJP NA NA +MJ095149 Mocimycin; 1-Me C44H62N2O12 810.430275 NA MeJP NA NA +PJ041245 LKKEMY C37H62N8O10S 810.431 NA PeJP NA NA +PJ041246 LKEEHR C34H58N12O11 810.4348 NA PeJP NA NA +PJ041247 GAAPPDKR C34H58N12O11 810.4349 NA PeJP NA NA +PJ041248 PKHHHR C35H54N16O7 810.4362 NA PeJP NA NA +PJ041249 VLKEHW C39H58N10O9 810.4389 NA PeJP NA NA +MJ095150 2,3,19-Trihydroxy-12-oleanen-28-oic acid, 19-Ketone, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C42H66O15 810.440171 NA MeJP NA NA +MJ095151 2,3,23-Trihydroxy-11,13(18)-oleanadien-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H66O15 810.440171 NA MeJP NA NA +MJ095152 2,3-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H66O15 810.440171 NA MeJP NA NA +MJ095153 20,24-Epoxy-3,16,25-trihydroxycucurbit-5-ene-11,22-dione, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C42H66O15 810.440171 NA MeJP NA NA +MJ095154 3,15,23-Trihydroxy-12-oleanen-16-one, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside] C42H66O15 810.440171 NA MeJP NA NA +MJ095155 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside] C42H66O15 810.440171 NA MeJP NA NA +MJ095156 3,19-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester C42H66O15 810.440171 NA MeJP NA NA +MJ095157 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester C42H66O15 810.440171 NA MeJP NA NA +MJ095158 3,21,23-Trihydroxy-12-oleanen-28-oic acid, 23-Aldehyde, 3-O-?-D-glucopyranoside, 28-O-?-D-glucopyranosyl ester C42H66O15 810.440171 NA MeJP NA NA +MJ095159 3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside], 30-Me ester C42H66O15 810.440171 NA MeJP NA NA +MJ095160 3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside], 30-Me ester C42H66O15 810.440171 NA MeJP NA NA +MJ095161 3,23-Dihydroxy-12-ursen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester C42H66O15 810.440171 NA MeJP NA NA +MJ095162 3,24-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester C42H66O15 810.440171 NA MeJP NA NA +MJ095163 3,24-Dihydroxy-12-oleanen-29-oic acid, 3-O-[?-D-Glucopyranosyl(1?2)-?-D-glucuronopyranoside] C42H66O15 810.440171 NA MeJP NA NA +MJ095164 3,29-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester C42H66O15 810.440171 NA MeJP NA NA +MJ095165 3-Hydroxy-12-oleanene-23,28-dioic acid, 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C42H66O15 810.440171 NA MeJP NA NA +MJ095166 3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-?-D-glucopyranosyl ester C42H66O15 810.440171 NA MeJP NA NA +MJ095167 3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H66O15 810.440171 NA MeJP NA NA +MJ095168 3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C42H66O15 810.440171 NA MeJP NA NA +MJ095169 3-Hydroxy-12-oleanene-27,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester C42H66O15 810.440171 NA MeJP NA NA +MJ095170 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-?-D-glucopyranosyl ester C42H66O15 810.440171 NA MeJP NA NA +MJ095171 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H66O15 810.440171 NA MeJP NA NA +MJ095172 3-Hydroxy-18-oleanene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H66O15 810.440171 NA MeJP NA NA +MJ095173 Cordifolin A; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C42H66O15 810.440171 NA MeJP NA NA +MJ095174 Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside] C42H66O15 810.440171 NA MeJP NA NA +MJ095175 Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucopyranoside] C42H66O15 810.440171 NA MeJP NA NA +MJ095176 Hirundigenin; 2?-Hydroxy, 3-O-[?-D-cymaropyranosyl-(1?4)-?-L-sarmentopyranosyl-(1?4)-?-D-cymaropyranoside] C42H66O15 810.440171 NA MeJP NA NA +MJ095177 Mabiogenin; 15-Ketone, 21-hydroxy, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C42H66O15 810.440171 NA MeJP NA NA +MJ095178 Polycavernoside A2 C42H66O15 810.440171 NA MeJP NA NA +MJ095179 Spirost-5-en-3-ol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?2)-?-L-arabinopyranoside] C42H66O15 810.440171 NA MeJP NA NA +C08930 Azukisaponin III C42H66O15 810.4402 NA KEGG NA NA +C08941 Dianoside A C42H66O15 810.4402 NA KEGG NA NA +PJ041250 TLKMRY C36H62N10O9S 810.4422 NA PeJP NA NA +PJ041251 PPLLWW C44H58N8O7 810.4429 NA PeJP NA NA +PJ041252 TLEHRR C33H58N14O10 810.4461 NA PeJP NA NA +MJ095180 Bottromycin; Bottromycin A1 C41H62N8O7S 810.446217 NA MeJP NA NA +PJ041253 SSTLLKY C37H62N8O12 810.4487 NA PeJP NA NA +PJ041254 PPVLKEE C37H62N8O12 810.4488 NA PeJP NA NA +PJ041255 SLLHRW C38H58N12O8 810.4501 NA PeJP NA NA +PJ041256 AALLMHR C35H62N12O8S 810.4535 NA PeJP NA NA +PJ041257 SQKHRR C32H58N16O9 810.4573 NA PeJP NA NA +PJ041258 GSTKKKY C36H62N10O11 810.46 NA PeJP NA NA +PJ041259 GKKHRW C37H58N14O7 810.4613 NA PeJP NA NA +PJ041260 SPPVLLW C41H62N8O9 810.464 NA PeJP NA NA +PJ041261 VLMHRR C34H62N14O7S 810.4647 NA PeJP NA NA +PJ041262 PPLLLQM C38H66N8O9S 810.4674 NA PeJP NA NA +PJ041263 ATTLLHR C35H62N12O10 810.4712 NA PeJP NA NA +PJ041264 VVKFRY C40H62N10O8 810.4752 NA PeJP NA NA +PJ041265 GPPVKKW C40H62N10O8 810.4753 NA PeJP NA NA +MJ095181 2,3,19-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], Me ester C43H70O14 810.476556 NA MeJP NA NA +MJ095182 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2-O-Acetyl-?-D-xylopyranoside), 6-O-?-L-rhamnopyranoside C43H70O14 810.476556 NA MeJP NA NA +MJ095183 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Xylopyranoside, 6-O-(2-O-acetyl-?-L-rhamnopyranoside) C43H70O14 810.476556 NA MeJP NA NA +MJ095184 21,23-Epoxycycloart-24-ene-3,21,22,29-tetrol, 21-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C43H70O14 810.476556 NA MeJP NA NA +MJ095185 21,23-Epoxycycloart-24-ene-3,21,22,29-tetrol, 21-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C43H70O14 810.476556 NA MeJP NA NA +MJ095186 21,23-Epoxycycloart-24-ene-3,21,22,29-tetrol, 21-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C43H70O14 810.476556 NA MeJP NA NA +MJ095187 21,23-Epoxycycloart-24-ene-3,21,22,29-tetrol, 21-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C43H70O14 810.476556 NA MeJP NA NA +MJ095188 3,11-Dihydroxy-12-oleanen-28-oic acid, 11-Me ether, 3-O-?-D-glucopyranoside, 28-O-?-D-glucopyranosyl ester C43H70O14 810.476556 NA MeJP NA NA +PJ041266 PPVVLMR C37H66N10O8S 810.4786 NA PeJP NA NA +PJ041267 GPPTKRR C34H62N14O9 810.4825 NA PeJP NA NA +PJ041268 PVLLLQE C38H66N8O11 810.4851 NA PeJP NA NA +PJ041269 GGPLLLLE C38H66N8O11 810.4852 NA PeJP NA NA +PJ041270 PPKKRW C39H62N12O7 810.4865 NA PeJP NA NA +MJ095189 Nepheliosyne A C47H70O11 810.491813 NA MeJP NA NA +PJ041271 PVQRRR C33H62N16O8 810.4937 NA PeJP NA NA +PJ041272 APLLLER C37H66N10O10 810.4964 NA PeJP NA NA +PJ041273 GPLLLLW C42H66N8O8 810.5004 NA PeJP NA NA +PJ041274 PPLLLKM C39H70N8O8S 810.5038 NA PeJP NA NA +PJ041275 APRRRR C32H62N18O7 810.5049 NA PeJP NA NA +PJ041276 SPPVKKR C36H66N12O9 810.5076 NA PeJP NA NA +MJ095190 Portmicin; 21,25-Dideoxy, 21,25-epoxy C44H74O13 810.512942 NA MeJP NA NA +PJ041277 AAPLKRR C35H66N14O8 810.5188 NA PeJP NA NA +PJ041278 PVLLLKE C39H70N8O10 810.5215 NA PeJP NA NA +HMDB09778 PI(16:0/16:0) C41H79O13P 810.525818 NA HMDB2010 NA NA +PJ041279 PVKRRR C34H66N16O7 810.5301 NA PeJP NA NA +PJ041280 SPLLLLR C38H70N10O9 810.5328 NA PeJP NA NA +PJ041281 GPLLKKR C37H70N12O8 810.544 NA PeJP NA NA +PJ041282 VLLLLLQ C40H74N8O9 810.5579 NA PeJP NA NA +PJ041283 ALLLLLR C39H74N10O8 810.5691 NA PeJP NA NA +PJ041284 VLLLLLK C41H78N8O8 810.5943 NA PeJP NA NA +EUR1145 SM(d18:0/22:0) [M+Na]+ C45H93N2O6P 810.659072 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1145 SM(d18:0/22:0) [M+Na]+ C45H93N2O6P 810.659072 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1145 SM(d18:0/22:0) [M+Na]+ C45H93N2O6P 810.659072 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1145 SM(d18:0/22:0) [M+Na]+ C45H93N2O6P 810.659072 masses lipides attendues Inhousejuil11 NA NA +3037 insulin secretion inhibitor DRIEYNVEHAVDY 810.8614 MH2+ Inhouse_peptide NA peptide +PJ041285 CCCCCDY C28H41N7O11S5 811.1468 NA PeJP NA NA +PJ041286 CCCCCMF C29H45N7O8S6 811.1654 NA PeJP NA NA +PJ041287 CCCCDEH C27H41N9O12S4 811.1758 NA PeJP NA NA +PJ041288 CDDDDDD C27H37N7O20S 811.1814 NA PeJP NA NA +PJ041289 SCCCCMY C29H45N7O10S5 811.1832 NA PeJP NA NA +MJ095191 Rubradirin; Aglycone C40H33N3O16 811.186082 NA MeJP NA NA +PJ041290 CCNNDDE C27H41N9O16S2 811.2113 NA PeJP NA NA +PJ041291 SCCCEMH C28H45N9O11S4 811.2122 NA PeJP NA NA +PJ041292 ACCCCFY C33H45N7O9S4 811.2162 NA PeJP NA NA +PJ041293 SDDDDDM C28H41N7O19S 811.2178 NA PeJP NA NA +PJ041294 PCCDDEM C29H45N7O14S3 811.2187 NA PeJP NA NA +PJ041295 GCCNDDW C31H41N9O13S2 811.2266 NA PeJP NA NA +PJ041296 PCCCCHF C32H45N9O8S4 811.2274 NA PeJP NA NA +PJ041297 GSSCNDDD C27H41N9O18S 811.2291 NA PeJP NA NA +PJ041298 GSPCCCNE C28H45N9O13S3 811.2299 NA PeJP NA NA +PJ041299 GCCMMMH C29H49N9O8S5 811.2308 NA PeJP NA NA +PJ041300 GTCCCYY C33H45N7O11S3 811.2339 NA PeJP NA NA +PJ041301 GDDDEMM C29H45N7O16S2 811.2365 NA PeJP NA NA +PJ041302 CCCNNQQ C27H45N11O12S3 811.2411 NA PeJP NA NA +PJ041303 CCNNNNM C27H45N11O12S3 811.2412 NA PeJP NA NA +PJ041304 SPCCCNW C32H45N9O10S3 811.2452 NA PeJP NA NA +PJ041305 SCNNDEM C28H45N9O15S2 811.2477 NA PeJP NA NA +PJ041306 STCCMMH C29H49N9O10S4 811.2485 NA PeJP NA NA +PJ041307 GGPCCNMM C29H49N9O10S4 811.2486 NA PeJP NA NA +PJ041308 GDDDDEF C32H41N7O18 811.2508 NA PeJP NA NA +PJ041309 DDDMMW C33H45N7O13S2 811.2517 NA PeJP NA NA +PJ041310 SSDDEEM C29H45N7O18S 811.2542 NA PeJP NA NA +PJ041311 SPCDEMM C30H49N7O13S3 811.2551 NA PeJP NA NA +PJ041312 GCDDEHH C30H41N11O14S 811.2556 NA PeJP NA NA +PJ041313 PPCCMMM C31H53N7O8S5 811.2559 NA PeJP NA NA +PJ041314 SCCNDDR C27H45N11O14S2 811.2589 NA PeJP NA NA +PJ041315 PCCCCQR C28H49N11O9S4 811.2598 NA PeJP NA NA +PJ041316 GNNDDDY C31H41N9O17 811.2621 NA PeJP NA NA +PJ041317 GSCNDMW C32H45N9O12S2 811.2629 NA PeJP NA NA +PJ041318 GGGSCDMW C32H45N9O12S2 811.263 NA PeJP NA NA +PJ041319 GSSSNDDM C28H45N9O17S 811.2654 NA PeJP NA NA +PJ041320 GGGSSSDDM C28H45N9O17S 811.2655 NA PeJP NA NA +PJ041321 DDDDFW C36H41N7O15 811.2661 NA PeJP NA NA +PJ041322 GNNDMMM C29H49N9O12S3 811.2663 NA PeJP NA NA +PJ041323 CCNFYY C37H45N7O10S2 811.2669 NA PeJP NA NA +PJ041324 GGCCFYY C37H45N7O10S2 811.267 NA PeJP NA NA +PJ041325 GPDDDMY C33H45N7O15S 811.2695 NA PeJP NA NA +PJ041326 PPCCDMF C34H49N7O10S3 811.2703 NA PeJP NA NA +PJ041327 CDDHHW C34H41N11O11S 811.2708 NA PeJP NA NA +PJ041328 GSEEEMM C30H49N7O15S2 811.2728 NA PeJP NA NA +PJ041329 SSDDDHH C30H41N11O16 811.2733 NA PeJP NA NA +PJ041330 GPDMMMM C31H53N7O10S4 811.2737 NA PeJP NA NA +PJ041331 SPCCEHH C31H45N11O11S2 811.2742 NA PeJP NA NA +PJ041332 SSSSCNNN C27H45N11O16S 811.2767 NA PeJP NA NA +PJ041333 ACCNDMR C28H49N11O11S3 811.2775 NA PeJP NA NA +PJ041334 GCCNEMR C28H49N11O11S3 811.2776 NA PeJP NA NA +PJ041335 SCCQWW C36H45N9O9S2 811.2782 NA PeJP NA NA +PJ041336 SSSCNEW C32H45N9O14S 811.2807 NA PeJP NA NA +PJ041337 CNQMMW C33H49N9O9S3 811.2816 NA PeJP NA NA +PJ041338 SSSSSNDE C28H45N9O19 811.2832 NA PeJP NA NA +PJ041339 SSNNEMM C29H49N9O14S2 811.2841 NA PeJP NA NA +PJ041340 PCDEYW C37H45N7O12S 811.2847 NA PeJP NA NA +PJ041341 PCCCQKM C30H53N9O9S4 811.2849 NA PeJP NA NA +PJ041342 GAPCCCKM C30H53N9O9S4 811.285 NA PeJP NA NA +PJ041343 GCNNMHH C30H45N13O10S2 811.2854 NA PeJP NA NA +PJ041344 NEEEEY C33H45N7O17 811.2872 NA PeJP NA NA +PJ041345 SEEMMW C34H49N7O12S2 811.2881 NA PeJP NA NA +PJ041346 GCCCDRR C27H49N13O10S3 811.2888 NA PeJP NA NA +PJ041347 SSTEEEM C30H49N7O17S 811.2906 NA PeJP NA NA +PJ041348 AAEEMMM C31H53N7O12S3 811.2915 NA PeJP NA NA +PJ041349 GCNNNQY C31H45N11O13S 811.2919 NA PeJP NA NA +PJ041350 GGGGGGGCQY C31H45N11O13S 811.292 NA PeJP NA NA +PJ041351 CCNMRW C32H49N11O8S3 811.2928 NA PeJP NA NA +MJ095192 Miniatine C43H45N3O13 811.295238 NA MeJP NA NA +PJ041352 SSCNDMR C28H49N11O13S2 811.2953 NA PeJP NA NA +PJ041353 GSSSCWW C36H45N9O11S 811.2959 NA PeJP NA NA +PJ041354 GGCNEFW C36H45N9O11S 811.296 NA PeJP NA NA +PJ041355 PCCCCKR C29H53N11O8S4 811.2962 NA PeJP NA NA +PJ041356 GSNDQEY C32H45N9O16 811.2984 NA PeJP NA NA +PJ041357 GSSSSSDW C32H45N9O16 811.2985 NA PeJP NA NA +PJ041358 GSSNMMW C33H49N9O11S2 811.2993 NA PeJP NA NA +PJ041359 GSSSSQEM C29H49N9O16S 811.3018 NA PeJP NA NA +PJ041360 GEEEYW C37H45N7O14 811.3025 NA PeJP NA NA +PJ041361 DEMMMR C30H53N9O11S3 811.3027 NA PeJP NA NA +PJ041362 SSCNQHH C30H45N13O12S 811.3032 NA PeJP NA NA +PJ041363 PCEMFW C38H49N7O9S2 811.3034 NA PeJP NA NA +MJ095193 Auramycin B; 10-Hydroxy C41H49NO16 811.305134 NA MeJP NA NA +MJ095194 Taurimycin B C41H49NO16 811.305134 NA MeJP NA NA +PJ041364 ASPDEMY C34H49N7O14S 811.3058 NA PeJP NA NA +PJ041365 GSPEEMY C34H49N7O14S 811.3059 NA PeJP NA NA +PJ041366 VDMMMW C35H53N7O9S3 811.3067 NA PeJP NA NA +PJ041367 SDMHHW C35H45N11O10S 811.3072 NA PeJP NA NA +PJ041368 ATTEEMM C31H53N7O14S2 811.3092 NA PeJP NA NA +PJ041369 SSNNNNY C31H45N11O15 811.3097 NA PeJP NA NA +PJ041370 APTMMMM C32H57N7O9S4 811.3101 NA PeJP NA NA +PJ041371 GSTCCRW C32H49N11O10S2 811.3106 NA PeJP NA NA +PJ041372 GCNFWW C40H45N9O8S 811.3112 NA PeJP NA NA +PJ041373 GSSSSCER C28H49N11O15S 811.3131 NA PeJP NA NA +PJ041374 SNNEYW C36H45N9O13 811.3137 NA PeJP NA NA +PJ041375 GSCQMMR C29H53N11O10S3 811.3139 NA PeJP NA NA +PJ041376 GGGGCCCKK C29H53N11O10S3 811.314 NA PeJP NA NA +PJ041377 SCCKWW C37H49N9O8S2 811.3146 NA PeJP NA NA +PJ041378 SSSSQMW C33H49N9O13S 811.3171 NA PeJP NA NA +PJ041379 EEYWW C41H45N7O11 811.3177 NA PeJP NA NA +PJ041380 CNKMMW C34H53N9O8S3 811.318 NA PeJP NA NA +PJ041381 SSSSSTQE C29H49N9O18 811.3196 NA PeJP NA NA +MJ095195 Taxol?; 10-De-Ac C45H49NO13 811.32039 NA MeJP NA NA +MJ095196 Taxol?; 7-Epimer, 10-de-Ac C45H49NO13 811.32039 NA MeJP NA NA +PJ041382 SSNDKMM C30H53N9O13S2 811.3204 NA PeJP NA NA +PJ041383 GGSSDKMM C30H53N9O13S2 811.3205 NA PeJP NA NA +PJ041384 GSSSSNHH C30H45N13O14 811.3209 NA PeJP NA NA +PJ041385 GGGGGGGQEH C30H45N13O14 811.321 NA PeJP NA NA +PJ041386 SPEMYW C38H49N7O11S 811.3211 NA PeJP NA NA +PJ041387 PCCCKKM C31H57N9O8S4 811.3213 NA PeJP NA NA +PJ041388 CEMHHR C31H49N13O9S2 811.3218 NA PeJP NA NA +PJ041389 DKEEEY C34H49N7O16 811.3236 NA PeJP NA NA +PJ041390 AAPEMMY C35H53N7O11S2 811.3245 NA PeJP NA NA +PJ041391 GSPNDHW C35H45N11O12 811.3249 NA PeJP NA NA +PJ041392 GGGSPDHW C35H45N11O12 811.325 NA PeJP NA NA +PJ041393 GSCCMRR C28H53N13O9S3 811.3252 NA PeJP NA NA +PJ041394 AMMHHW C36H49N11O7S2 811.3258 NA PeJP NA NA +PJ041395 TTTTEEM C31H53N7O16S 811.327 NA PeJP NA NA +PJ041396 GTLEMMM C32H57N7O11S3 811.3278 NA PeJP NA NA +PJ041397 TCCILEM C32H57N7O11S3 811.3279 NA PeJP NA NA +PJ041398 SSSSCRW C32H49N11O12S 811.3283 NA PeJP NA NA +PJ041399 GGGGGGGPPPC C32H49N11O12S 811.3284 NA PeJP NA NA +PJ041400 GSNYWW C40H45N9O10 811.329 NA PeJP NA NA +PJ041401 NMHHHH C33H45N15O8S 811.3297 NA PeJP NA NA +PJ041402 SSSSSSDR C28H49N11O17 811.3308 NA PeJP NA NA +PJ041403 SSSNMMR C29H53N11O12S2 811.3317 NA PeJP NA NA +PJ041404 GQQMYW C37H49N9O10S 811.3323 NA PeJP NA NA +PJ041405 GGGAAMYW C37H49N9O10S 811.3324 NA PeJP NA NA +PJ041406 GSSSSTTW C33H49N9O15 811.3348 NA PeJP NA NA +PJ041407 GGGSDKEY C33H49N9O15 811.3349 NA PeJP NA NA +PJ041408 GSTCKMW C34H53N9O10S2 811.3357 NA PeJP NA NA +PJ041409 NNNQHW C34H45N13O11 811.3362 NA PeJP NA NA +PJ041410 PPCFYW C42H49N7O8S 811.3364 NA PeJP NA NA +PJ041411 GSSSSKEM C30H53N9O15S 811.3382 NA PeJP NA NA +PJ041412 SVEEYW C38H49N7O13 811.3389 NA PeJP NA NA +PJ041413 GSQKMMM C31H57N9O10S3 811.3391 NA PeJP NA NA +PJ041414 SSCNKHH C31H49N13O11S 811.3395 NA PeJP NA NA +PJ041415 GPCNEHR C31H49N13O11S 811.3396 NA PeJP NA NA +PJ041416 PCLMYW C39H53N7O8S2 811.3397 NA PeJP NA NA +PJ041417 GEHHFW C39H45N11O9 811.3402 NA PeJP NA NA +MJ095197 Aclacinomycin A C42H53NO15 811.34152 NA MeJP NA NA +MJ095198 Epelmycin A C42H53NO15 811.34152 NA MeJP NA NA +MJ095199 Streptovaricin; Streptovaricin B C42H53NO15 811.34152 NA MeJP NA NA +MJ095200 Streptovaricin; Streptovaricin C, 17-Ac C42H53NO15 811.34152 NA MeJP NA NA +PJ041418 LQEEMY C35H53N7O13S 811.3422 NA PeJP NA NA +PJ041419 SSTCCRR C28H53N13O11S2 811.3429 NA PeJP NA NA +PJ041420 TLMMMW C36H57N7O8S3 811.3431 NA PeJP NA NA +PJ041421 GCQRYW C36H49N11O9S 811.3436 NA PeJP NA NA +PJ041422 STTLEMM C32H57N7O13S2 811.3456 NA PeJP NA NA +PJ041423 GSSNERY C32H49N11O14 811.3461 NA PeJP NA NA +PJ041424 GVLMMMM C33H61N7O8S4 811.3465 NA PeJP NA NA +PJ041425 NNMMFR C33H53N11O9S2 811.3469 NA PeJP NA NA +PJ041426 GGNMMFR C33H53N11O9S2 811.347 NA PeJP NA NA +PJ041427 GSTHHHH C33H45N15O10 811.3474 NA PeJP NA NA +PJ041428 GSSSSTMR C29H53N11O14S 811.3494 NA PeJP NA NA +PJ041429 SNDKYW C37H49N9O12 811.3501 NA PeJP NA NA +PJ041430 GSCKMMR C30H57N11O9S3 811.3503 NA PeJP NA NA +PJ041431 CKMHFF C38H53N9O7S2 811.351 NA PeJP NA NA +PJ041432 SSSSKMW C34H53N9O12S 811.3535 NA PeJP NA NA +MJ095201 Virginiamycin S1; 4'-Dihydro, N-de-Me C42H49N7O10 811.35409 NA MeJP NA NA +PJ041433 SPPYYW C42H49N7O10 811.3541 NA PeJP NA NA +PJ041434 PMMMFR C35H57N9O7S3 811.3543 NA PeJP NA NA +PJ041435 PCNHRW C35H49N13O8S 811.3548 NA PeJP NA NA +PJ041436 HHFWW C43H45N11O6 811.3555 NA PeJP NA NA +PJ041437 SSSTTTTQ C30H53N9O17 811.3559 NA PeJP NA NA +MJ095202 Antibiotic LL-BM 123? C30H53N9O17 811.355941 NA MeJP NA NA +MJ095203 Antibiotic LL-BM 123? C30H53N9O17 811.355941 NA MeJP NA NA +PJ041438 SSSSSTKE C30H53N9O17 811.356 NA PeJP NA NA +PJ041439 SSTQKMM C31H57N9O12S2 811.3568 NA PeJP NA NA +PJ041440 NQEEHR C31H49N13O13 811.3573 NA PeJP NA NA +PJ041441 ALEMYW C39H53N7O10S 811.3575 NA PeJP NA NA +PJ041442 LMMMMR C32H61N9O7S4 811.3577 NA PeJP NA NA +PJ041443 CCQFRR C32H53N13O8S2 811.3582 NA PeJP NA NA +PJ041444 GTTLEEY C35H53N7O15 811.36 NA PeJP NA NA +PJ041445 GPTLMMY C36H57N7O10S2 811.3609 NA PeJP NA NA +PJ041446 SSNRYW C36H49N11O11 811.3613 NA PeJP NA NA +PJ041447 GGGGLEHW C36H49N11O11 811.3614 NA PeJP NA NA +PJ041448 SSLLMMM C33H61N7O10S3 811.3642 NA PeJP NA NA +PJ041449 SQQMRY C33H53N11O11S 811.3647 NA PeJP NA NA +PJ041450 AQHFFY C41H49N9O9 811.3653 NA PeJP NA NA +PJ041451 GQQFFW C41H49N9O9 811.3654 NA PeJP NA NA +PJ041452 SSSSSTTR C29H53N11O16 811.3672 NA PeJP NA NA +PJ041453 SSTCKMR C30H57N11O11S2 811.3681 NA PeJP NA NA +PJ041454 GSNNQHR C30H49N15O12 811.3685 NA PeJP NA NA +PJ041455 NDDHRR C30H49N15O12 811.3686 NA PeJP NA NA +PJ041456 GQKMYW C38H53N9O9S 811.3687 NA PeJP NA NA +PJ041457 GSTQKEY C34H53N9O14 811.3712 NA PeJP NA NA +PJ041458 GGGAPPLDE C34H53N9O14 811.3713 NA PeJP NA NA +PJ041459 APCCKKY C35H57N9O9S2 811.3721 NA PeJP NA NA +PJ041460 GQEHRW C35H49N13O10 811.3726 NA PeJP NA NA +PJ041461 PCLFFW C43H53N7O7S 811.3728 NA PeJP NA NA +PJ041462 GSSTTTKM C31H57N9O14S 811.3746 NA PeJP NA NA +3116 adrenocorticotropin hormone fr,:1-13 SYSMEHFRWGKPV 811.3752 MH2+ Inhouse_peptide NA peptide +PJ041463 TTLEYW C39H53N7O12 811.3752 NA PeJP NA NA +PJ041464 GAPLEYY C39H53N7O12 811.3753 NA PeJP NA NA +PJ041465 GSKKMMM C32H61N9O9S3 811.3755 NA PeJP NA NA +PJ041466 SCQRRY C32H53N13O10S 811.3759 NA PeJP NA NA +PJ041467 GGGPTMHR C32H53N13O10S 811.376 NA PeJP NA NA +PJ041468 VVMMFW C40H57N7O7S2 811.3761 NA PeJP NA NA +PJ041469 GVQHWW C40H49N11O8 811.3766 NA PeJP NA NA +MJ095204 4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 5-(2-Acetoxy-3-dimethylamino-3-phenylpropanoyl), 2,7,9,10,13-penta-Ac C43H57NO14 811.377905 NA MeJP NA NA +PJ041470 LKEEMY C36H57N7O12S 811.3786 NA PeJP NA NA +PJ041471 GCKRYW C37H53N11O8S 811.38 NA PeJP NA NA +PJ041472 GSTTQRY C33H53N11O13 811.3824 NA PeJP NA NA +PJ041473 GSSDKRY C33H53N11O13 811.3825 NA PeJP NA NA +PJ041474 CQKMFR C34H57N11O8S2 811.3833 NA PeJP NA NA +PJ041475 PEHHHR C34H49N15O9 811.3838 NA PeJP NA NA +PJ041476 STQKYW C38H53N9O11 811.3865 NA PeJP NA NA +PJ041477 GSPCHRR C31H53N15O9S 811.3872 NA PeJP NA NA +PJ041478 QHRWW C39H49N13O7 811.3878 NA PeJP NA NA +PJ041479 AATQKMY C35H57N9O11S 811.3898 NA PeJP NA NA +PJ041480 TLEMRY C35H57N9O11S 811.3899 NA PeJP NA NA +PJ041481 APLYYW C43H53N7O9 811.3905 NA PeJP NA NA +PJ041482 CLHHFR C36H53N13O7S 811.3912 NA PeJP NA NA +PJ041483 SSSTTTTK C31H57N9O16 811.3923 NA PeJP NA NA +PJ041484 SSTKKMM C32H61N9O11S2 811.3932 NA PeJP NA NA +PJ041485 GSSSRRY C32H53N13O12 811.3937 NA PeJP NA NA +PJ041486 SLLMYW C40H57N7O9S 811.3939 NA PeJP NA NA +PJ041487 CCKFRR C33H57N13O7S2 811.3946 NA PeJP NA NA +PJ041488 SSTLLEY C36H57N7O14 811.3964 NA PeJP NA NA +PJ041489 AVCLLMY C37H61N7O9S2 811.3972 NA PeJP NA NA +PJ041490 AALLMMY C37H61N7O9S2 811.3973 NA PeJP NA NA +PJ041491 PPQERW C37H53N11O10 811.3977 NA PeJP NA NA +PJ041492 SQKMRY C34H57N11O10S 811.4011 NA PeJP NA NA +PJ041493 PPVQWW C42H53N9O8 811.4017 NA PeJP NA NA +PJ041494 GGPPLWW C42H53N9O8 811.4018 NA PeJP NA NA +PJ041495 SQEHRR C31H53N15O11 811.4049 NA PeJP NA NA +PJ041496 GGGGGSKHR C31H53N15O11 811.405 NA PeJP NA NA +PJ041497 GKKMYW C39H57N9O8S 811.4051 NA PeJP NA NA +PJ041498 GSTKKEY C35H57N9O13 811.4076 NA PeJP NA NA +PJ041499 VLMMRY C36H61N9O8S2 811.4085 NA PeJP NA NA +PJ041500 GKEHRW C36H53N13O9 811.409 NA PeJP NA NA +PJ041501 PLKEYY C40H57N7O11 811.4116 NA PeJP NA NA +PJ041502 SCKRRY C33H57N13O9S 811.4123 NA PeJP NA NA +PJ041503 APPRWW C41H53N11O7 811.413 NA PeJP NA NA +PJ041504 ATTLLMY C37H61N7O11S 811.415 NA PeJP NA NA +PJ041505 LKMHHF C38H57N11O7S 811.4164 NA PeJP NA NA +PJ041506 GSTTKRY C34H57N11O12 811.4188 NA PeJP NA NA +PJ041507 GPPKEER C34H57N11O12 811.4189 NA PeJP NA NA +PJ041508 CKKMFR C35H61N11O7S2 811.4197 NA PeJP NA NA +PJ041509 GTHRRW C35H53N15O8 811.4202 NA PeJP NA NA +PJ041510 STKKYW C39H57N9O10 811.4229 NA PeJP NA NA +PJ041511 VNMHRR C32H57N15O8S 811.4236 NA PeJP NA NA +PJ041512 KHRWW C40H53N13O6 811.4242 NA PeJP NA NA +PJ041513 DKKKMY C36H61N9O10S 811.4262 NA PeJP NA NA +PJ041514 GLLLEMH C36H61N9O10S 811.4263 NA PeJP NA NA +PJ041515 ALLFYW C44H57N7O8 811.4269 NA PeJP NA NA +PJ041516 GPPTERR C33H57N13O11 811.4301 NA PeJP NA NA +PJ041517 AALLMFF C41H61N7O8S 811.4303 NA PeJP NA NA +PJ041518 TTTTLLY C37H61N7O13 811.4327 NA PeJP NA NA +PJ041519 PPKERW C38H57N11O9 811.4341 NA PeJP NA NA +PJ041520 GMHRRR C31H57N17O7S 811.4348 NA PeJP NA NA +MJ095205 Midecamycin A3 C41H65NO15 811.43542 NA MeJP NA NA +PJ041521 SKKMRY C35H61N11O9S 811.4375 NA PeJP NA NA +PJ041522 PPVKWW C43H57N9O7 811.4381 NA PeJP NA NA +MJ095206 Beauvericin; Beauvericin B C47H61N3O9 811.44078 NA MeJP NA NA +PJ041523 SKEHRR C32H57N15O10 811.4413 NA PeJP NA NA +PJ041524 LLLMHW C40H61N9O7S 811.4415 NA PeJP NA NA +PJ041525 SSSLKKY C36H61N9O12 811.444 NA PeJP NA NA +PJ041526 KKKMMF C37H65N9O7S2 811.4449 NA PeJP NA NA +PJ041527 PPTRRW C37H57N13O8 811.4453 NA PeJP NA NA +PJ041528 GAPKHFR C37H57N13O8 811.4454 NA PeJP NA NA +PJ041529 LLLQYY C41H61N7O10 811.448 NA PeJP NA NA +PJ041530 GPPVMRR C34H61N13O8S 811.4487 NA PeJP NA NA +PJ041531 PPLLLEM C38H65N7O10S 811.4514 NA PeJP NA NA +PJ041532 STHRRR C31H57N17O9 811.4526 NA PeJP NA NA +PJ041533 SPPVKER C35H61N11O11 811.4552 NA PeJP NA NA +PJ041534 GGAPLLER C35H61N11O11 811.4553 NA PeJP NA NA +PJ041535 LLHHHR C36H57N15O7 811.4566 NA PeJP NA NA +PJ041536 VQKKFY C40H61N9O9 811.4592 NA PeJP NA NA +PJ041537 APPTLKW C40H61N9O9 811.4593 NA PeJP NA NA +PJ041538 CLKHRR C33H61N15O7S 811.4599 NA PeJP NA NA +PJ041539 PPMRRR C33H61N15O7S 811.46 NA PeJP NA NA +PJ041540 SVLLLMH C37H65N9O9S 811.4626 NA PeJP NA NA +PJ041541 AAPLERR C34H61N13O10 811.4665 NA PeJP NA NA +PJ041542 PVLLLEE C38H65N7O12 811.4692 NA PeJP NA NA +PJ041543 PLLQRW C39H61N11O8 811.4705 NA PeJP NA NA +C12009 Telithromycin C43H65N5O10 811.4731 NA KEGG NA NA +MJ095207 Majusculamide D C43H65N5O10 811.473143 NA MeJP NA NA +MJ095208 Telithromycin C43H65N5O10 811.473143 NA MeJP NA NA +PJ041544 APPLKMR C36H65N11O8S 811.4739 NA PeJP NA NA +PJ041545 PVERRR C33H61N15O9 811.4777 NA PeJP NA NA +PJ041546 PPTLKKE C37H65N9O11 811.4804 NA PeJP NA NA +PJ041547 PVVRRW C38H61N13O7 811.4817 NA PeJP NA NA +MJ095209 Rhizonin A C42H65N7O9 811.484376 NA MeJP NA NA +PJ041548 LLLKYY C42H65N7O9 811.4844 NA PeJP NA NA +PJ041549 LKKMHR C35H65N13O7S 811.4851 NA PeJP NA NA +PJ041550 GPLLKER C36H65N11O10 811.4916 NA PeJP NA NA +PJ041551 VKKKFY C41H65N9O8 811.4956 NA PeJP NA NA +PJ041552 GPVLLKW C41H65N9O8 811.4957 NA PeJP NA NA +PJ041553 PPVLKKM C38H69N9O8S 811.499 NA PeJP NA NA +PJ041554 GPTLLRR C35H65N13O9 811.5029 NA PeJP NA NA +PJ041555 PLLKRW C40H65N11O7 811.5069 NA PeJP NA NA +PJ041556 PQKKRR C34H65N15O8 811.5141 NA PeJP NA NA +HMDB09408 PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C47H74NO8P 811.515198 NA HMDB2010 NA NA +HMDB09441 PE(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C47H74NO8P 811.515198 NA HMDB2010 NA NA +HMDB09472 PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C47H74NO8P 811.515198 NA HMDB2010 NA NA +HMDB09473 PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C47H74NO8P 811.515198 NA HMDB2010 NA NA +HMDB09632 PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C47H74NO8P 811.515198 NA HMDB2010 NA NA +HMDB09665 PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C47H74NO8P 811.515198 NA HMDB2010 NA NA +HMDB09696 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C47H74NO8P 811.515198 NA HMDB2010 NA NA +HMDB09697 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C47H74NO8P 811.515198 NA HMDB2010 NA NA +HMDB05352 GPEtn(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[U] C47H74NO8P 811.5152 http://www.hmdb.ca/metabolites/HMDB05352 HMDB NA NA +HMDB05353 GPEtn(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))[U] C47H74NO8P 811.5152 http://www.hmdb.ca/metabolites/HMDB05353 HMDB NA NA +HMDB05352 GPEtn(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[U] C47H74NO8P 811.5152 HMDB05352 PFEM_hmdb_metabocards_official NA NA +HMDB05353 GPEtn(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))[U] C47H74NO8P 811.5152 HMDB05353 PFEM_hmdb_metabocards_official NA NA +PJ041557 PVVLKKE C38H69N9O10 811.5168 NA PeJP NA NA +PJ041558 PPLLLLF C43H69N7O8 811.5208 NA PeJP NA NA +PJ041559 PLLLLLM C40H73N7O8S 811.5242 NA PeJP NA NA +PJ041560 SPVLLKR C37H69N11O9 811.528 NA PeJP NA NA +EUR542 18 :0-20 :4 PS F1 NA 811.532025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR542 18 :0-20 :4 PS F1 NA 811.532025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR542 18 :0-20 :4 PS F1 NA 811.532025 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR542 18 :0-20 :4 PS F1 NA 811.532025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR542 18 :0-20 :4 PS F1 NA 811.532025 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR542 18 :0-20 :4 PS F1 NA 811.532025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR542 18 :0-20 :4 PS F1 NA 811.532025 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR542 18 :0-20 :4 PS F1 NA 811.532025 standards wishlist analysés sur QTOF HMDB NA NA +EUR542 18 :0-20 :4 PS F1 NA 811.532025 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR542 18 :0-20 :4 PS F1 NA 811.532025 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR542 18 :0-20 :4 PS F1 NA 811.532025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR542 18 :0-20 :4 PS F1 NA 811.532025 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB10165 PS(18:0/20:4(8Z,11Z,14Z,17Z)) C44H78NO10P 811.536316 NA HMDB2010 NA NA +HMDB12383 PS(18:0/20:4(5Z,8Z,11Z,14Z)) C44H78NO10P 811.536316 NA HMDB2010 NA NA +HMDB12393 PS(18:1(9Z)/20:3(8Z,11Z,14Z)) C44H78NO10P 811.536316 NA HMDB2010 NA NA +HMDB12423 PS(20:3(8Z,11Z,14Z)/18:1(9Z)) C44H78NO10P 811.536316 NA HMDB2010 NA NA +HMDB12433 PS(20:4(5Z,8Z,11Z,14Z)/18:0) C44H78NO10P 811.536316 NA HMDB2010 NA NA +PJ041561 AALLLRR C36H69N13O8 811.5392 NA PeJP NA NA +PJ041562 GVVLLRR C36H69N13O8 811.5393 NA PeJP NA NA +PJ041563 VLLLLLE C40H73N7O10 811.5419 NA PeJP NA NA +PJ041564 VLLRRR C35H69N15O7 811.5505 NA PeJP NA NA +PJ041565 PTLLLKK C39H73N9O9 811.5532 NA PeJP NA NA +PJ041566 GLLLLKR C38H73N11O8 811.5644 NA PeJP NA NA +PJ041567 VVLLLKK C40H77N9O8 811.5895 NA PeJP NA NA +EUR989 PC 38:3 monoisotopic mass C46H86NO8P 811.609107 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR989 PC 38:3 monoisotopic mass C46H86NO8P 811.609107 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR989 PC 38:3 monoisotopic mass C46H86NO8P 811.609107 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR989 PC 38:3 monoisotopic mass C46H86NO8P 811.609107 masses lipides attendues Inhousejuil11 NA NA +HMDB08020 PC(16:1(9Z)/22:2(13Z,16Z)) C46H86NO8P 811.609131 NA HMDB2010 NA NA +HMDB08046 PC(18:0/20:3(5Z,8Z,11Z)) C46H86NO8P 811.609131 NA HMDB2010 NA NA +HMDB08047 PC(18:0/20:3(8Z,11Z,14Z)) C46H86NO8P 811.609131 NA HMDB2010 NA NA +HMDB08078 PC(18:1(11Z)/20:2(11Z,14Z)) C46H86NO8P 811.609131 NA HMDB2010 NA NA +HMDB08111 PC(18:1(9Z)/20:2(11Z,14Z)) C46H86NO8P 811.609131 NA HMDB2010 NA NA +HMDB08144 PC(18:2(9Z,12Z)/20:1(11Z)) C46H86NO8P 811.609131 NA HMDB2010 NA NA +HMDB08175 PC(18:3(6Z,9Z,12Z)/20:0) C46H86NO8P 811.609131 NA HMDB2010 NA NA +HMDB08208 PC(18:3(9Z,12Z,15Z)/20:0) C46H86NO8P 811.609131 NA HMDB2010 NA NA +HMDB08271 PC(20:0/18:3(6Z,9Z,12Z)) C46H86NO8P 811.609131 NA HMDB2010 NA NA +HMDB08272 PC(20:0/18:3(9Z,12Z,15Z)) C46H86NO8P 811.609131 NA HMDB2010 NA NA +HMDB08303 PC(20:1(11Z)/18:2(9Z,12Z)) C46H86NO8P 811.609131 NA HMDB2010 NA NA +HMDB08334 PC(20:2(11Z,14Z)/18:1(11Z)) C46H86NO8P 811.609131 NA HMDB2010 NA NA +HMDB08335 PC(20:2(11Z,14Z)/18:1(9Z)) C46H86NO8P 811.609131 NA HMDB2010 NA NA +HMDB08366 PC(20:3(5Z,8Z,11Z)/18:0) C46H86NO8P 811.609131 NA HMDB2010 NA NA +HMDB08399 PC(20:3(8Z,11Z,14Z)/18:0) C46H86NO8P 811.609131 NA HMDB2010 NA NA +HMDB08594 PC(22:2(13Z,16Z)/16:1(9Z)) C46H86NO8P 811.609131 NA HMDB2010 NA NA +HMDB09776 PE(24:1(15Z)/P-18:1(11Z)) C47H90NO7P 811.645508 NA HMDB2010 NA NA +HMDB09777 PE(24:1(15Z)/P-18:1(9Z)) C47H90NO7P 811.645508 NA HMDB2010 NA NA +HMDB11429 PE(P-18:1(11Z)/24:1(15Z)) C47H90NO7P 811.645508 NA HMDB2010 NA NA +HMDB11462 PE(P-18:1(9Z)/24:1(15Z)) C47H90NO7P 811.645508 NA HMDB2010 NA NA +MJ095210 Acanthacerebroside E C47H89NO9 811.653733 NA MeJP NA NA +EUR1124 SM(d18:1/24:2) monoisotopic mass C47H92N2O6P 811.669301 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1124 SM(d18:1/24:2) monoisotopic mass C47H92N2O6P 811.669301 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1124 SM(d18:1/24:2) monoisotopic mass C47H92N2O6P 811.669301 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1124 SM(d18:1/24:2) monoisotopic mass C47H92N2O6P 811.669301 masses lipides attendues Inhousejuil11 NA NA +MJ095211 Cerasine C48H93NO8 811.690118 NA MeJP NA NA +HMDB00140 Glucosylceramide C48H93NO8 811.69012 http://www.hmdb.ca/metabolites/HMDB00140 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00140 Glucosylceramide C48H93NO8 811.69012 http://www.hmdb.ca/metabolites/HMDB00140 HMDB NA NA +HMDB04978 Glucosylceramide (d18:1/24:0) C48H93NO8 811.69012 http://www.hmdb.ca/metabolites/HMDB04978 HMDB NA NA +HMDB00140 Glucosylceramide C48H93NO8 811.69012 http://www.hmdb.ca/metabolites/HMDB00140 PFEM_hmdb_metabocards_blood NA blood +HMDB00140 Glucosylceramide C48H93NO8 811.69012 HMDB00140 PFEM_hmdb_metabocards_official NA NA +HMDB04978 Glucosylceramide (d18:1/24:0) C48H93NO8 811.69012 HMDB04978 PFEM_hmdb_metabocards_official NA NA +HMDB00140 Glucosylceramide C48H93NO8 811.690125 NA HMDB2010 NA NA +HMDB04978 Glucosylceramide (d18:1/24:0) C48H93NO8 811.690125 NA HMDB2010 NA NA +MJ095212 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3,7-Bis-O-(6-O-malonyl-?-D-glucopyranoside) C34H37O23(+) 812.164737 NA MeJP NA NA +PJ041568 CCCCNMH C27H44N10O9S5 812.1897 NA PeJP NA NA +PJ041569 CCNDDDE C27H40N8O17S2 812.1953 NA PeJP NA NA +PJ041570 GSTCCCCH C27H44N10O11S4 812.2074 NA PeJP NA NA +MJ095213 Glucitol, Hexakis(3-pyridinecarboxylate) C42H32N6O12 812.20782 NA MeJP NA NA +PJ041571 GCCDDDW C31H40N8O14S2 812.2106 NA PeJP NA NA +PJ041572 GSSCDDDD C27H40N8O19S 812.2131 NA PeJP NA NA +PJ041573 GSPCCCDE C28H44N8O14S3 812.214 NA PeJP NA NA +PJ041574 GPPCCCCM C29H48N8O9S5 812.2148 NA PeJP NA NA +MJ095214 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside], 5-O-(2-O-acetyl-?-D-xylopyranoside) C39H41O19(+) 812.216379 NA MeJP NA NA +PJ041575 SSSSCCCH C27H44N10O13S3 812.2252 NA PeJP NA NA +MJ095215 Pradimicin D; N-De-Me C38H40N2O18 812.227612 NA MeJP NA NA +PJ041576 SPCCCDW C32H44N8O11S3 812.2292 NA PeJP NA NA +PJ041577 SCNDDEM C28H44N8O16S2 812.2317 NA PeJP NA NA +PJ041578 PCCNDMM C29H48N8O11S4 812.2326 NA PeJP NA NA +PJ041579 CCMMYY C34H48N6O9S4 812.2366 NA PeJP NA NA +FL5FCCGA0008 Rhamnetin 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside C36H44O21 812.2375 83170-27-8 knapsack NA NA +MJ095216 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C36H44O21 812.237508 NA MeJP NA NA +PJ041580 GCCCNQW C31H44N10O10S3 812.2404 NA PeJP NA NA +PJ041581 GGGGACCCW C31H44N10O10S3 812.2405 NA PeJP NA NA +PJ041582 SCCDDDR C27H44N10O15S2 812.2429 NA PeJP NA NA +PJ041583 GGGGGSTCCD C27H44N10O15S2 812.243 NA PeJP NA NA +PJ041584 PCCCCER C28H48N10O10S4 812.2438 NA PeJP NA NA +PJ041585 GNDDDDY C31H40N8O18 812.2461 NA PeJP NA NA +PJ041586 GSCDDMW C32H44N8O13S2 812.247 NA PeJP NA NA +PJ041587 APCCCMW C33H48N8O8S4 812.2478 NA PeJP NA NA +PJ041588 GSSSDDDM C28H44N8O18S 812.2495 NA PeJP NA NA +PJ041589 GNDDMMM C29H48N8O13S3 812.2503 NA PeJP NA NA +PJ041590 CCDFYY C37H44N6O11S2 812.251 NA PeJP NA NA +PJ041591 PCCCNHH C30H44N12O9S3 812.2517 NA PeJP NA NA +PJ041592 SSCCNNW C31H44N10O12S2 812.2582 NA PeJP NA NA +PJ041593 SSSSCNND C27H44N10O17S 812.2607 NA PeJP NA NA +PJ041594 SCNNNMM C28H48N10O12S3 812.2615 NA PeJP NA NA +PJ041595 GCCDEMR C28H48N10O12S3 812.2616 NA PeJP NA NA +PJ041596 SCCEWW C36H44N8O10S2 812.2622 NA PeJP NA NA +PJ041597 SSSCDEW C32H44N8O15S 812.2647 NA PeJP NA NA +PJ041598 CNEMMW C33H48N8O10S3 812.2656 NA PeJP NA NA +PJ041599 SSSSSDDE C28H44N8O20 812.2672 NA PeJP NA NA +PJ041600 SSNDEMM C29H48N8O15S2 812.2681 NA PeJP NA NA +PJ041601 SCDYYY C37H44N6O13S 812.2687 NA PeJP NA NA +PJ041602 SPCNMMM C30H52N8O10S4 812.2689 NA PeJP NA NA +PJ041603 GGSPCMMM C30H52N8O10S4 812.269 NA PeJP NA NA +PJ041604 GCNDMHH C30H44N12O11S2 812.2694 NA PeJP NA NA +PJ041605 CCMFFY C38H48N6O8S3 812.2696 NA PeJP NA NA +PJ041606 DEEEEY C33H44N6O18 812.2712 NA PeJP NA NA +MJ095217 Azureomycin; Azureomycin B C35H46N3O19 812.272551 NA MeJP NA NA +PJ041607 SCCCNQR C27H48N12O11S3 812.2728 NA PeJP NA NA +MJ095218 Egonol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C37H48O20 812.273893 NA MeJP NA NA +PJ041608 GCNNNEY C31H44N10O14S 812.2759 NA PeJP NA NA +PJ041609 GGGCNNEY C31H44N10O14S 812.276 NA PeJP NA NA +PJ041610 CCDMRW C32H48N10O9S3 812.2768 NA PeJP NA NA +PJ041611 SSCDDMR C28H48N10O14S2 812.2793 NA PeJP NA NA +PJ041612 CNDEFW C36H44N8O12S 812.28 NA PeJP NA NA +PJ041613 PTCCCMR C29H52N10O9S4 812.2802 NA PeJP NA NA +PJ041614 GCMMWW C37H48N8O7S3 812.2808 NA PeJP NA NA +PJ041615 GSNDEEY C32H44N8O17 812.2825 NA PeJP NA NA +PJ041616 GSSDMMW C33H48N8O12S2 812.2833 NA PeJP NA NA +PJ041617 GGGPCEMY C33H48N8O12S2 812.2834 NA PeJP NA NA +PJ041618 CCQHHW C34H44N12O8S2 812.2847 NA PeJP NA NA +PJ041619 GSSSSEEM C29H48N8O17S 812.2858 NA PeJP NA NA +PJ041620 GSQEMMM C30H52N8O12S3 812.2867 NA PeJP NA NA +PJ041621 SSCNEHH C30H44N12O13S 812.2872 NA PeJP NA NA +PJ041622 SCMFYY C38H48N6O10S2 812.2873 NA PeJP NA NA +PJ041623 ACMYYY C38H48N6O10S2 812.2874 NA PeJP NA NA +PJ041624 EEEEMF C34H48N6O15S 812.2899 NA PeJP NA NA +PJ041625 GSSSCCNR C27H48N12O13S2 812.2906 NA PeJP NA NA +PJ041626 CNNNYW C35H44N10O11S 812.2912 NA PeJP NA NA +PJ041627 SSNNNDY C31H44N10O16 812.2937 NA PeJP NA NA +PJ041628 GPCCDRY C32H48N10O11S2 812.2946 NA PeJP NA NA +PJ041629 GCDFWW C40H44N8O9S 812.2952 NA PeJP NA NA +PJ041630 SSSSSNNM C28H48N10O16S 812.2971 NA PeJP NA NA +PJ041631 SNDEYW C36H44N8O14 812.2977 NA PeJP NA NA +PJ041632 GSCEMMR C29H52N10O11S3 812.2979 NA PeJP NA NA +PJ041633 GGSCCQKM C29H52N10O11S3 812.298 NA PeJP NA NA +PJ041634 STCMWW C37H48N8O9S2 812.2986 NA PeJP NA NA +PJ041635 SSSSEMW C33H48N8O14S 812.3011 NA PeJP NA NA +PJ041636 SQMMMW C34H52N8O9S3 812.302 NA PeJP NA NA +PJ041637 GSSCHHW C34H44N12O10S 812.3024 NA PeJP NA NA +PJ041638 CCFFFF C42H48N6O7S2 812.3026 NA PeJP NA NA +PJ041639 SSSSSTEE C29H48N8O19 812.3036 NA PeJP NA NA +MJ095219 11-Hydroxymeliacarpin; 1,3-Dicinnamoyl C45H48O14 812.304406 NA MeJP NA NA +MJ095220 Sophoraflavanone I; 7-O-?-D-Glucopyranoside C45H48O14 812.304406 NA MeJP NA NA +PJ041640 SSTQEMM C30H52N8O14S2 812.3045 NA PeJP NA NA +PJ041641 GSSSSDHH C30H44N12O15 812.3049 NA PeJP NA NA +PJ041642 GGGNNEEH C30H44N12O15 812.305 NA PeJP NA NA +PJ041643 SSMYYY C38H48N6O12S 812.3051 NA PeJP NA NA +PJ041644 AAQMMMM C31H56N8O9S4 812.3053 NA PeJP NA NA +PJ041645 GGGVMMMM C31H56N8O9S4 812.3054 NA PeJP NA NA +PJ041646 GCCNNFR C31H48N12O10S2 812.3058 NA PeJP NA NA +PJ041647 GSPDDHW C35H44N10O13 812.309 NA PeJP NA NA +PJ041648 SCCCNKR C28H52N12O10S3 812.3092 NA PeJP NA NA +PJ041649 APPCCHW C36H48N10O8S2 812.3098 NA PeJP NA NA +MJ095221 Terracinolide A; 1?-Acetoxy, 13?-hydroxy, 6-debenzoyl, 15-deacetyl, 6-Ac C38H52O19 812.310279 NA MeJP NA NA +PJ041650 NDDMRY C32H48N10O13S 812.3123 NA PeJP NA NA +PJ041651 GGGGGGGTMY C32H48N10O13S 812.3124 NA PeJP NA NA +PJ041652 GSDYWW C40H44N8O11 812.313 NA PeJP NA NA +PJ041653 SCMMRW C33H52N10O8S3 812.3132 NA PeJP NA NA +PJ041654 DMHHHH C33H44N14O9S 812.3137 NA PeJP NA NA +PJ041655 GSSSSSSSQ C28H48N10O18 812.3148 NA PeJP NA NA +PJ041656 SSSDMMR C29H52N10O13S2 812.3157 NA PeJP NA NA +PJ041657 SNNNNNH C29H44N14O14 812.3162 NA PeJP NA NA +PJ041658 ANEMYW C37H48N8O11S 812.3163 NA PeJP NA NA +PJ041659 GQEMYW C37H48N8O11S 812.3164 NA PeJP NA NA +PJ041660 NMMMMR C30H56N10O8S4 812.3166 NA PeJP NA NA +PJ041661 GTCCHHR C30H48N14O9S2 812.317 NA PeJP NA NA +PJ041662 ASSQEEY C33H48N8O16 812.3188 NA PeJP NA NA +PJ041663 GSTQEEY C33H48N8O16 812.3189 NA PeJP NA NA +PJ041664 GSTTMMW C34H52N8O11S2 812.3197 NA PeJP NA NA +PJ041665 NNNEHW C34H44N12O12 812.3202 NA PeJP NA NA +PJ041666 ACFFYY C42H48N6O9S 812.3204 NA PeJP NA NA +PJ041667 CCKHHW C35H48N12O7S2 812.3211 NA PeJP NA NA +PJ041668 GSSTTTEM C30H52N8O16S 812.3222 NA PeJP NA NA +PJ041669 PEEEFY C38H48N6O14 812.3229 NA PeJP NA NA +PJ041670 GSKEMMM C31H56N8O11S3 812.3231 NA PeJP NA NA +PJ041671 GSCNNRY C31H48N12O12S 812.3236 NA PeJP NA NA +PJ041672 LEEEMY C35H52N6O14S 812.3263 NA PeJP NA NA +PJ041673 GCERYW C36H48N10O10S 812.3276 NA PeJP NA NA +PJ041674 GSSDERY C32H48N10O15 812.3301 NA PeJP NA NA +PJ041675 GSPCMRY C33H52N10O10S2 812.331 NA PeJP NA NA +PJ041676 GPNDHHH C33H44N14O11 812.3314 NA PeJP NA NA +PJ041677 GGGPDHHH C33H44N14O11 812.3315 NA PeJP NA NA +PJ041678 QMYWW C41H48N8O8S 812.3316 NA PeJP NA NA +PJ041679 SSSSSCQK C29H52N10O15S 812.3335 NA PeJP NA NA +PJ041680 STQEYW C37H48N8O13 812.3341 NA PeJP NA NA +PJ041681 GSTMMMR C30H56N10O10S3 812.3343 NA PeJP NA NA +PJ041682 SSSCHHR C30H48N14O11S 812.3348 NA PeJP NA NA +PJ041683 AQMMFW C38H52N8O8S2 812.335 NA PeJP NA NA +PJ041684 GNNHWW C38H44N12O9 812.3355 NA PeJP NA NA +PJ041685 SSTTTMW C34H52N8O13S 812.3375 NA PeJP NA NA +PJ041686 AAYYYY C42H48N6O11 812.3381 NA PeJP NA NA +PJ041687 SKMMMW C35H56N8O8S3 812.3383 NA PeJP NA NA +PJ041688 GPCKMMF C35H56N8O8S3 812.3384 NA PeJP NA NA +PJ041689 PCDHRW C35H48N12O9S 812.3388 NA PeJP NA NA +PJ041690 SSSTTTTE C30H52N8O18 812.34 NA PeJP NA NA +PJ041691 TTTTQMM C31H56N8O13S2 812.3408 NA PeJP NA NA +PJ041692 SSTKEMM C31H56N8O13S2 812.3409 NA PeJP NA NA +PJ041693 NEEEHR C31H48N12O14 812.3413 NA PeJP NA NA +PJ041694 GGGGGGSVEH C31H48N12O14 812.3414 NA PeJP NA NA +PJ041695 AAKMMMM C32H60N8O8S4 812.3417 NA PeJP NA NA +PJ041696 CCEFRR C32H52N12O9S2 812.3422 NA PeJP NA NA +PJ041697 CRYWW C40H48N10O7S 812.3428 NA PeJP NA NA +PJ041698 GPMHWW C40H48N10O7S 812.3429 NA PeJP NA NA +PJ041699 SSDRYW C36H48N10O12 812.3453 NA PeJP NA NA +PJ041700 VNEEHW C36H48N10O12 812.3454 NA PeJP NA NA +PJ041701 ACMFRW C37H52N10O7S2 812.3462 NA PeJP NA NA +PJ041702 SQEMRY C33H52N10O12S 812.3487 NA PeJP NA NA +PJ041703 GTTYWW C41H48N8O10 812.3494 NA PeJP NA NA +PJ041704 CNHHFR C34H48N14O8S 812.3501 NA PeJP NA NA +PJ041705 GSSSSSSSK C29H52N10O17 812.3512 NA PeJP NA NA +PJ041706 SSTTMMR C30H56N10O12S2 812.3521 NA PeJP NA NA +PJ041707 DDDHRR C30H48N14O13 812.3526 NA PeJP NA NA +PJ041708 GKEMYW C38H52N8O10S 812.3527 NA PeJP NA NA +PJ041709 GGAAPMFY C38H52N8O10S 812.3528 NA PeJP NA NA +PJ041710 GSTKEEY C34H52N8O15 812.3552 NA PeJP NA NA +PJ041711 PPVNEEE C34H52N8O15 812.3553 NA PeJP NA NA +PJ041712 GSPKMMY C35H56N8O10S2 812.3561 NA PeJP NA NA +PJ041713 GEEHRW C35H48N12O11 812.3566 NA PeJP NA NA +3214 Casoxin from bovine kappa-casein fr: 35-41 YPSYGLN 812.3579 celiac toxic Inhouse_peptide NA peptide +PJ041714 SSSSTTLM C31H56N8O15S 812.3586 NA PeJP NA NA +PJ041715 PLEEYY C39H52N6O13 812.3593 NA PeJP NA NA +PJ041716 ATTKMMM C32H60N8O10S3 812.3595 NA PeJP NA NA +PJ041717 SSSKMHH C32H52N12O11S 812.3599 NA PeJP NA NA +PJ041718 SCERRY C32H52N12O11S 812.36 NA PeJP NA NA +PJ041719 GVEHWW C40H48N10O9 812.3606 NA PeJP NA NA +PJ041720 GTMRYW C37H52N10O9S 812.364 NA PeJP NA NA +PJ041721 QFFWW C45H48N8O7 812.3646 NA PeJP NA NA +PJ041722 GSTTERY C33H52N10O14 812.3665 NA PeJP NA NA +PJ041723 VNMMRY C34H56N10O9S2 812.3673 NA PeJP NA NA +PJ041724 GGVMMRY C34H56N10O9S2 812.3674 NA PeJP NA NA +PJ041725 SNNHRW C34H48N14O10 812.3678 NA PeJP NA NA +PJ041726 KMYWW C42H52N8O7S 812.368 NA PeJP NA NA +PJ041727 SSSSSCKK C30H56N10O14S 812.3698 NA PeJP NA NA +PJ041728 STKEYW C38H52N8O12 812.3705 NA PeJP NA NA +PJ041729 TCCCKKK C31H60N10O9S3 812.3707 NA PeJP NA NA +PJ041730 NQQMHR C31H52N14O10S 812.3712 NA PeJP NA NA +PJ041731 AKMMFW C39H56N8O7S2 812.3714 NA PeJP NA NA +PJ041732 EHRWW C39H48N12O8 812.3718 NA PeJP NA NA +PJ041733 DKKEMY C35H56N8O12S 812.3739 NA PeJP NA NA +PJ041734 SPMHRW C36H52N12O8S 812.3752 NA PeJP NA NA +PJ041735 VHWWW C44H48N10O6 812.3759 NA PeJP NA NA +PJ041736 STTTTTTT C31H56N8O17 812.3764 NA PeJP NA NA +PJ041737 TTTTKMM C32H60N8O12S2 812.3772 NA PeJP NA NA +PJ041738 DKEEHR C32H52N12O13 812.3777 NA PeJP NA NA +PJ041739 GGGGGGGGGAPL C32H52N12O13 812.3778 NA PeJP NA NA +PJ041740 GMMRRY C33H56N12O8S2 812.3786 NA PeJP NA NA +PJ041741 STTRYW C37H52N10O11 812.3817 NA PeJP NA NA +PJ041742 GGGPPDKW C37H52N10O11 812.3818 NA PeJP NA NA +PJ041743 CNQHRR C30H52N16O9S 812.3824 NA PeJP NA NA +MJ095222 1,3-Dihydroxypregna-5,16-dien-20-one, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-6-O-acetyl-?-D-glucopyranoside] C40H60O17 812.38305 NA MeJP NA NA +PJ041744 VHHHHF C38H48N14O7 812.3831 NA PeJP NA NA +PJ041745 SKEMRY C34H56N10O11S 812.3851 NA PeJP NA NA +PJ041746 AVQFYW C42H52N8O9 812.3857 NA PeJP NA NA +PJ041747 PPVEWW C42H52N8O9 812.3858 NA PeJP NA NA +PJ041748 SEEHRR C31H52N14O12 812.3889 NA PeJP NA NA +PJ041749 TDEHRR C31H52N14O12 812.389 NA PeJP NA NA +PJ041750 SVKMYW C39H56N8O9S 812.3891 NA PeJP NA NA +PJ041751 SSSLKEY C35H56N8O14 812.3916 NA PeJP NA NA +MJ095223 Remangiflavanone C C51H56O9 812.392433 NA MeJP NA NA +PJ041752 LQKMMY C36H60N8O9S2 812.3925 NA PeJP NA NA +PJ041753 SVEHRW C36H52N12O10 812.393 NA PeJP NA NA +PJ041754 LLEEFY C40H56N6O12 812.3956 NA PeJP NA NA +PJ041755 STMRRY C33H56N12O10S 812.3963 NA PeJP NA NA +PJ041756 GALEMHR C33H56N12O10S 812.3964 NA PeJP NA NA +PJ041757 ATLHWW C41H52N10O8 812.397 NA PeJP NA NA +PJ041758 GSSNHRR C30H52N16O11 812.4002 NA PeJP NA NA +PJ041759 VLQMHW C38H56N10O8S 812.4004 NA PeJP NA NA +PJ041760 KFFWW C46H52N8O6 812.401 NA PeJP NA NA +PJ041761 SSSTLRY C34H56N10O13 812.4028 NA PeJP NA NA +PJ041762 GGSSSKKY C34H56N10O13 812.4029 NA PeJP NA NA +PJ041763 CLKMRY C35H60N10O8S2 812.4037 NA PeJP NA NA +PJ041764 GPTKHHH C35H52N14O9 812.4042 NA PeJP NA NA +PJ041765 APPTLEW C39H56N8O11 812.4069 NA PeJP NA NA +PJ041766 VDMHRR C32H56N14O9S 812.4076 NA PeJP NA NA +PJ041767 APHFRW C40H52N12O7 812.4082 NA PeJP NA NA +PJ041768 ASTLKMY C36H60N8O11S 812.4102 NA PeJP NA NA +PJ041769 GTTLKMY C36H60N8O11S 812.4103 NA PeJP NA NA +PJ041770 ALMHRW C37H56N12O7S 812.4116 NA PeJP NA NA +PJ041771 GTTLEHR C33H56N12O12 812.4141 NA PeJP NA NA +PJ041772 VQHHHR C34H52N16O8 812.4154 NA PeJP NA NA +PJ041773 GGLHHHR C34H52N16O8 812.4155 NA PeJP NA NA +3709 NA SSRDRNKPFKFML 812.4181 MH2+ Inhouse_peptide NA peptide +PJ041774 TLKEHW C38H56N10O10 812.4181 NA PeJP NA NA +PJ041775 CNKHRR C31H56N16O8S 812.4188 NA PeJP NA NA +MJ095224 2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Xylopyranoside, 28-O-?-D-glucopyranosyl ester C41H64O16 812.419436 NA MeJP NA NA +MJ095225 2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] C41H64O16 812.419436 NA MeJP NA NA +PJ041776 GSCKKKY C35H60N10O10S 812.4215 NA PeJP NA NA +PJ041777 GLKFYW C43H56N8O8 812.4221 NA PeJP NA NA +MJ095226 Segetalin E C43H56N8O8 812.42211 NA MeJP NA NA +PJ041778 GAPKFFF C43H56N8O8 812.4222 NA PeJP NA NA +PJ041779 PQQERR C32H56N14O11 812.4253 NA PeJP NA NA +PJ041780 GGAAPERR C32H56N14O11 812.4254 NA PeJP NA NA +PJ041781 GPPLLMW C40H60N8O8S 812.4255 NA PeJP NA NA +PJ041782 AHHHRR C33H52N18O7 812.4267 NA PeJP NA NA +HMDB04877 Trihexosylceramide (d18:1/12:0) C37H66NO18 812.42798 http://www.hmdb.ca/metabolites/HMDB04877 PFEM_hmdb_metabocards_urine NA urine +HMDB04877 Trihexosylceramide (d18:1/12:0) C37H66NO18 812.42798 http://www.hmdb.ca/metabolites/HMDB04877 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04877 Trihexosylceramide (d18:1/12:0) C37H66NO18 812.42798 http://www.hmdb.ca/metabolites/HMDB04877 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04877 Trihexosylceramide (d18:1/12:0) C37H66NO18 812.42798 http://www.hmdb.ca/metabolites/HMDB04877 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04877 Trihexosylceramide (d18:1/12:0) C37H66NO18 812.42798 http://www.hmdb.ca/metabolites/HMDB04877 HMDB NA NA +HMDB04877 Trihexosylceramide (d18:1/12:0) C37H66NO18 812.42798 http://www.hmdb.ca/metabolites/HMDB04877 PFEM_hmdb_metabocards_blood NA blood +HMDB04877 Trihexosylceramide (d18:1/12:0) C37H66NO18 812.42798 HMDB04877 PFEM_hmdb_metabocards_official NA NA +PJ041783 STTTLKY C36H60N8O13 812.428 NA PeJP NA NA +PJ041784 LKKMMY C37H64N8O8S2 812.4289 NA PeJP NA NA +PJ041785 TTLHRW C37H56N12O9 812.4294 NA PeJP NA NA +PJ041786 LLLEYY C41H60N6O11 812.432 NA PeJP NA NA +PJ041787 LKEMHR C34H60N12O9S 812.4327 NA PeJP NA NA +PJ041788 PVKHFW C42H56N10O7 812.4334 NA PeJP NA NA +PJ041789 PNDRRR C31H56N16O10 812.4366 NA PeJP NA NA +PJ041790 VLKMHW C39H60N10O7S 812.4368 NA PeJP NA NA +PJ041791 PPTTLER C35H60N10O12 812.4392 NA PeJP NA NA +PJ041792 GPLLEER C35H60N10O12 812.4393 NA PeJP NA NA +PJ041793 APQRRW C36H56N14O8 812.4406 NA PeJP NA NA +MJ095227 Pseudostellarin C C40H60N8O10 812.44324 NA MeJP NA NA +PJ041794 GPVLLEW C40H60N8O10 812.4433 NA PeJP NA NA +PJ041795 TLMHRR C33H60N14O8S 812.444 NA PeJP NA NA +PJ041796 ASPPCILL C37H64N8O10S 812.4466 NA PeJP NA NA +PJ041797 PPVLKEM C37H64N8O10S 812.4467 NA PeJP NA NA +PJ041798 SSTLLHR C34H60N12O11 812.4505 NA PeJP NA NA +PJ041799 VKHHHR C35H56N16O7 812.4518 NA PeJP NA NA +PJ041800 PLLERW C39H60N10O9 812.4545 NA PeJP NA NA +C08932 Bayogenin 3-O-cellobioside C42H68O15 812.4558 NA KEGG NA NA +MJ095228 12-Oleanene-3,16,22,28-tetrol, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranoside C42H68O15 812.455821 NA MeJP NA NA +MJ095229 12-Oleanene-3,16,22,28-tetrol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside] C42H68O15 812.455821 NA MeJP NA NA +MJ095230 12-Oleanene-3,16,28,29-tetrol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside] C42H68O15 812.455821 NA MeJP NA NA +MJ095231 12-Oleanene-3,21,22,24-tetrol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H68O15 812.455821 NA MeJP NA NA +MJ095232 12-Oleanene-3,22,24,30-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H68O15 812.455821 NA MeJP NA NA +MJ095233 2,3,16,23-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] C42H68O15 812.455821 NA MeJP NA NA +MJ095234 2,3,19-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C42H68O15 812.455821 NA MeJP NA NA +MJ095235 2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester C42H68O15 812.455821 NA MeJP NA NA +MJ095236 2,3,19-Trihydroxy-12-ursen-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester C42H68O15 812.455821 NA MeJP NA NA +MJ095237 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester C42H68O15 812.455821 NA MeJP NA NA +MJ095238 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester C42H68O15 812.455821 NA MeJP NA NA +MJ095239 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C42H68O15 812.455821 NA MeJP NA NA +MJ095240 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester C42H68O15 812.455821 NA MeJP NA NA +MJ095241 2,3,6,16-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-L-rhamnopyranosyl ester C42H68O15 812.455821 NA MeJP NA NA +MJ095242 3,16,20,22,25-Pentahydroxycucurbita-5,23-dien-11-one, 23,24-Dihydro, 22-ketone, 3-O-[?-L-rhamnopyranosyl-(1r2)-?-D-glucopyranoside] C42H68O15 812.455821 NA MeJP NA NA +MJ095243 3,16,20,22,25-Pentahydroxycucurbita-5,23-dien-11-one, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C42H68O15 812.455821 NA MeJP NA NA +MJ095244 3,16,20,25-Tetrahydroxycucurbita-5,23-dien-11-one, 3-O-?-D-Gentiobioside C42H68O15 812.455821 NA MeJP NA NA +MJ095245 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C42H68O15 812.455821 NA MeJP NA NA +MJ095246 3,17,22,24-Tetrahydroxy-28-hopanoic acid, 28?22 Lactone, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H68O15 812.455821 NA MeJP NA NA +MJ095247 3,21,23-Trihydroxy-12-oleanen-28-oic acid, 21-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H68O15 812.455821 NA MeJP NA NA +MJ095248 3,22,24,29-Tetrahydroxy-28-hopanoic acid, 28?22 Lactone, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H68O15 812.455821 NA MeJP NA NA +5462 aurein 3,1,2 FDIVKKIAGHIAGSIG 812.45695 MH2+ Inhouse_peptide NA peptide +PJ041801 SPPLLMR C36H64N10O9S 812.4579 NA PeJP NA NA +PJ041802 PVLLWW C44H60N8O7 812.4585 NA PeJP NA NA +PJ041803 PQKERR C33H60N14O10 812.4617 NA PeJP NA NA +PJ041804 LKKMFF C41H64N8O7S 812.4619 NA PeJP NA NA +PJ041805 PVVLKEE C37H64N8O12 812.4644 NA PeJP NA NA +PJ041806 PVQKRW C38H60N12O8 812.4657 NA PeJP NA NA +PJ041807 GGPLKRW C38H60N12O8 812.4658 NA PeJP NA NA +PJ041808 GPPKKMR C35H64N12O8S 812.4691 NA PeJP NA NA +PJ041809 PTQRRR C32H60N16O9 812.473 NA PeJP NA NA +PJ041810 SPVLLER C36H64N10O11 812.4756 NA PeJP NA NA +PJ041811 GGPVVKKE C36H64N10O11 812.4757 NA PeJP NA NA +PJ041812 APKRRW C37H60N14O7 812.477 NA PeJP NA NA +MJ095249 Glabrin C C41H64N8O9 812.479625 NA MeJP NA NA +PJ041813 APTLLLW C41H64N8O9 812.4797 NA PeJP NA NA +PJ041814 PVLLLQM C38H68N8O9S 812.483 NA PeJP NA NA +PJ041815 GPVKKER C35H64N12O10 812.4869 NA PeJP NA NA +PJ041816 AAPLKKW C40H64N10O8 812.4909 NA PeJP NA NA +MJ095250 Cycloartane-1,3,7,24,25-pentol, 3-O-?-L-Rhamnopyranoside, 24-O-[4-O-acetyl-?-D-xylopyranoside] C43H72O14 812.492207 NA MeJP NA NA +PJ041817 APLLLMR C37H68N10O8S 812.4943 NA PeJP NA NA +PJ041818 PKKERR C34H64N14O9 812.4981 NA PeJP NA NA +PJ041819 PTLLLKE C38H68N8O11 812.5008 NA PeJP NA NA +PJ041820 PVKKRW C39H64N12O7 812.5021 NA PeJP NA NA +MJ095251 4,5,6,28,33,37,42,45-Octahydroxy-14-oxo-26,43-heptatetracontadiene-2,31,34,46-tetraynoic acid C47H72O11 812.507463 NA MeJP NA NA +MJ095252 Osirisyne A C47H72O11 812.507463 NA MeJP NA NA +PJ041821 PTKRRR C33H64N16O8 812.5093 NA PeJP NA NA +PJ041822 GGVLRRR C33H64N16O8 812.5094 NA PeJP NA NA +PJ041823 GLLLLER C37H68N10O10 812.512 NA PeJP NA NA +PJ041824 GVLLLLW C42H68N8O8 812.516 NA PeJP NA NA +PJ041825 PVLLLKM C39H72N8O8S 812.5194 NA PeJP NA NA +PJ041826 GLRRRR C32H64N18O7 812.5206 NA PeJP NA NA +PJ041827 APTLKKR C36H68N12O9 812.5233 NA PeJP NA NA +PJ041828 LLLLRW C41H68N10O7 812.5273 NA PeJP NA NA +MJ095253 Antibiotic CP 73064 C44H76O13 812.528592 NA MeJP NA NA +PJ041829 LLQKRR C35H68N14O8 812.5345 NA PeJP NA NA +PJ041830 VVLLLKE C39H72N8O10 812.5372 NA PeJP NA NA +PJ041831 VVKRRR C34H68N16O7 812.5457 NA PeJP NA NA +PJ041832 SVLLLLR C38H72N10O9 812.5484 NA PeJP NA NA +PJ041833 GVLLKKR C37H72N12O8 812.5596 NA PeJP NA NA +PJ041834 LLKKRR C36H72N14O7 812.5709 NA PeJP NA NA +PJ041835 TLLLLLK C40H76N8O9 812.5736 NA PeJP NA NA +PJ041836 ALLLKKK C39H76N10O8 812.5848 NA PeJP NA NA +MJ095254 Stigmasta-5,24(28)-dien-3-ol, 3-O-[6-O-Hexadecanoyl-?-D-glucopyranoside] C51H88O7 812.653005 NA MeJP NA NA +MJ095255 Stigmasta-7,22-dien-3-ol, O-(6-O-Hexadecanoyl-?-D-glucopyranoside) C51H88O7 812.653005 NA MeJP NA NA +HMDB12107 SM(d18:1/24:1(15Z)) C47H93N2O6P 812.677124 NA HMDB2010 NA NA +8208 RL-C10/G10 - synthetic peptide AMRLTYNRPGLYAT 812.91015 MH2+ Inhouse_peptide NA peptide +FL7AAHGL0020 Petunidin 3,7-di-(6-malonylglucoside) C34H37O23 813.17256 775562-26-0 knapsack NA NA +PJ041837 CCCCDMH C27H43N9O10S5 813.1737 NA PeJP NA NA +PJ041838 CCDDDDE C27H39N7O18S2 813.1793 NA PeJP NA NA +PJ041839 GPCCCCND C27H43N9O12S4 813.1914 NA PeJP NA NA +PJ041840 GGGPCCCCD C27H43N9O12S4 813.1915 NA PeJP NA NA +PJ041841 GCCCCYY C32H43N7O10S4 813.1954 NA PeJP NA NA +PJ041842 CCNNDDM C27H43N9O14S3 813.2092 NA PeJP NA NA +PJ041843 SCCCMMH C28H47N9O9S5 813.2101 NA PeJP NA NA +MJ095256 Benanomicin A; 2'-De-Me C38H39NO19 813.211628 NA MeJP NA NA +PJ041844 SCDDDEM C28H43N7O17S2 813.2157 NA PeJP NA NA +PJ041845 PCCDDMM C29H47N7O12S4 813.2166 NA PeJP NA NA +PJ041846 GSCCCNNN C26H43N11O13S3 813.2204 NA PeJP NA NA +PJ041847 GGGGGGGSCCC C26H43N11O13S3 813.2205 NA PeJP NA NA +FL7AAIGL0015 Malvidin 3-(6''-p-coumarylglucoside)-5-(2'''-acetylxyloside) C39H41O19 813.2242 148100-99-6<BR>148154-67-0 knapsack NA NA +PJ041848 GCCCNEW C31H43N9O11S3 813.2244 NA PeJP NA NA +PJ041849 GGGCCCEW C31H43N9O11S3 813.2245 NA PeJP NA NA +PJ041850 GSSCCNDE C27H43N9O16S2 813.227 NA PeJP NA NA +PJ041851 GSPCCCNM C28H47N9O11S4 813.2278 NA PeJP NA NA +PJ041852 GDDDDDY C31H39N7O19 813.2301 NA PeJP NA NA +PJ041853 PCCDDDF C32H43N7O14S2 813.231 NA PeJP NA NA +PJ041854 GDDDMMM C29H47N7O14S3 813.2343 NA PeJP NA NA +PJ041855 PCCCDHH C30H43N11O10S3 813.2357 NA PeJP NA NA +PJ041856 CCCNWW C35H43N9O8S3 813.2397 NA PeJP NA NA +PJ041857 SSCCNDW C31H43N9O13S2 813.2422 NA PeJP NA NA +PJ041858 ACCCMHF C32H47N9O8S4 813.2431 NA PeJP NA NA +PJ041859 SSSSCNDD C27H43N9O18S 813.2447 NA PeJP NA NA +PJ041860 SCNNDMM C28H47N9O13S3 813.2456 NA PeJP NA NA +PJ041861 SPCDDDY C32H43N7O16S 813.2487 NA PeJP NA NA +PJ041862 CDEMMW C33H47N7O11S3 813.2496 NA PeJP NA NA +PJ041863 SSDDEMM C29H47N7O16S2 813.2521 NA PeJP NA NA +PJ041864 SPCDMMM C30H51N7O11S4 813.253 NA PeJP NA NA +PJ041865 GCDDMHH C30H43N11O12S2 813.2534 NA PeJP NA NA +PJ041866 SCCCNER C27H47N11O12S3 813.2568 NA PeJP NA NA +PJ041867 GCNNDEY C31H43N9O15S 813.26 NA PeJP NA NA +PJ041868 GSCCQMW C32H47N9O10S3 813.2608 NA PeJP NA NA +PJ041869 GGGAPCCCF C32H47N9O10S3 813.2609 NA PeJP NA NA +PJ041870 GSSSCNEM C28H47N9O15S2 813.2633 NA PeJP NA NA +PJ041871 CDDEFW C36H43N7O13S 813.264 NA PeJP NA NA +PJ041872 GCNQMMM C29H51N9O10S4 813.2642 NA PeJP NA NA +PJ041873 SCCNNHH C29H43N13O11S2 813.2647 NA PeJP NA NA +PJ041874 GSDDEEY C32H43N7O18 813.2665 NA PeJP NA NA +PJ041875 GPCDEMY C33H47N7O13S2 813.2674 NA PeJP NA NA +PJ041876 CCEHHW C34H43N11O9S2 813.2687 NA PeJP NA NA +PJ041877 GSEEMMM C30H51N7O13S3 813.2707 NA PeJP NA NA +PJ041878 SSCDEHH C30H43N11O14S 813.2712 NA PeJP NA NA +PJ041879 APCMMMM C31H55N7O8S5 813.2716 NA PeJP NA NA +PJ041880 GSCCCRW C31H47N11O9S3 813.2721 NA PeJP NA NA +PJ041881 GSSSCCDR C27H47N11O14S2 813.2746 NA PeJP NA NA +PJ041882 CNNDYW C35H43N9O12S 813.2752 NA PeJP NA NA +PJ041883 GCCNMMR C28H51N11O9S4 813.2754 NA PeJP NA NA +PJ041884 GGGCCMMR C28H51N11O9S4 813.2755 NA PeJP NA NA +PJ041885 SSNNDDY C31H43N9O17 813.2777 NA PeJP NA NA +PJ041886 SSSCNMW C32H47N9O12S2 813.2786 NA PeJP NA NA +PJ041887 SSSSSNDM C28H47N9O17S 813.2811 NA PeJP NA NA +PJ041888 SDDEYW C36H43N7O15 813.2817 NA PeJP NA NA +PJ041889 SSNNMMM C29H51N9O12S3 813.2819 NA PeJP NA NA +PJ041890 GGSSNMMM C29H51N9O12S3 813.282 NA PeJP NA NA +PJ041891 PCDMYW C37H47N7O10S2 813.2826 NA PeJP NA NA +PJ041892 NEEEMY C33H47N7O15S 813.2851 NA PeJP NA NA +PJ041893 SEMMMW C34H51N7O10S3 813.286 NA PeJP NA NA +PJ041894 ACCCCRR C27H51N13O8S4 813.2867 NA PeJP NA NA +PJ041895 SSTEEMM C30H51N7O15S2 813.2885 NA PeJP NA NA +PJ041896 GNNDEEH C30H43N11O16 813.289 NA PeJP NA NA +PJ041897 SSPMMMM C31H55N7O10S4 813.2893 NA PeJP NA NA +PJ041898 AAEMMMM C31H55N7O10S4 813.2894 NA PeJP NA NA +PJ041899 GCCNDFR C31H47N11O11S2 813.2898 NA PeJP NA NA +PJ041900 SSCCQMR C28H51N11O11S3 813.2932 NA PeJP NA NA +PJ041901 CNNMFW C36H47N9O9S2 813.2938 NA PeJP NA NA +PJ041902 GGCNMFW C36H47N9O9S2 813.2939 NA PeJP NA NA +PJ041903 GSSSSTCW C32H47N9O14S 813.2963 NA PeJP NA NA +PJ041904 DDDMRY C32H47N9O14S 813.2964 NA PeJP NA NA +PJ041905 GSCCKMW C33H51N9O9S3 813.2972 NA PeJP NA NA +PJ041906 GSSSSSSSE C28H47N9O19 813.2988 NA PeJP NA NA +PJ041907 GSSSSQMM C29H51N9O14S2 813.2997 NA PeJP NA NA +PJ041908 SNNNNDH C29H43N13O15 813.3002 NA PeJP NA NA +PJ041909 GEEMYW C37H47N7O12S 813.3004 NA PeJP NA NA +PJ041910 DMMMMR C30H55N9O9S4 813.3006 NA PeJP NA NA +PJ041911 PCMMFW C38H51N7O7S3 813.3012 NA PeJP NA NA +PJ041912 GSTEEEY C33H47N7O17 813.3029 NA PeJP NA NA +PJ041913 GSPEMMY C34H51N7O12S2 813.3037 NA PeJP NA NA +PJ041914 GAEEMMF C34H51N7O12S2 813.3038 NA PeJP NA NA +PJ041915 NNDEHW C34H43N11O13 813.3042 NA PeJP NA NA +PJ041916 SSCCCRR C27H51N13O10S3 813.3044 NA PeJP NA NA +PJ041917 CLMMMW C35H55N7O7S4 813.3046 NA PeJP NA NA +PJ041918 TCMHHW C35H47N11O8S2 813.3051 NA PeJP NA NA +PJ041919 ATTEMMM C31H55N7O12S3 813.3071 NA PeJP NA NA +PJ041920 GSCNDRY C31H47N11O13S 813.3076 NA PeJP NA NA +PJ041921 QMMMHH C32H51N11O8S3 813.3085 NA PeJP NA NA +PJ041922 GSCHHHH C32H43N15O9S 813.3089 NA PeJP NA NA +PJ041923 ASSSTCCR C28H51N11O13S2 813.3109 NA PeJP NA NA +PJ041924 GSSSSCMR C28H51N11O13S2 813.311 NA PeJP NA NA +PJ041925 SNNMYW C36H47N9O11S 813.3116 NA PeJP NA NA +PJ041926 ACCCKMR C29H55N11O8S4 813.3118 NA PeJP NA NA +PJ041927 SSSSSSSW C32H47N9O16 813.3141 NA PeJP NA NA +PJ041928 SSTCCKW C33H51N9O11S2 813.315 NA PeJP NA NA +PJ041929 GPDDHHH C33H43N13O12 813.3155 NA PeJP NA NA +PJ041930 EMYWW C41H47N7O9S 813.3156 NA PeJP NA NA +PJ041931 SSSSSTQM C29H51N9O16S 813.3175 NA PeJP NA NA +PJ041932 STEEYW C37H47N7O14 813.3181 NA PeJP NA NA +PJ041933 SSCQKMM C30H55N9O11S3 813.3183 NA PeJP NA NA +PJ041934 GGSTCKMM C30H55N9O11S3 813.3184 NA PeJP NA NA +PJ041935 GNNNQMH C30H47N13O12S 813.3188 NA PeJP NA NA +PJ041936 GGGGGGGGAMH C30H47N13O12S 813.3189 NA PeJP NA NA +PJ041937 SPMMYW C38H51N7O9S2 813.319 NA PeJP NA NA +PJ041938 GNDHWW C38H43N11O10 813.3195 NA PeJP NA NA +PJ041939 CMMHHR C31H51N13O7S3 813.3197 NA PeJP NA NA +MJ095257 Auramycin A; 10-Hydroxy C41H51NO16 813.320784 NA MeJP NA NA +MJ095258 Cinerubin A; N-De-Me C41H51NO16 813.320784 NA MeJP NA NA +MJ095259 Taurimycin A C41H51NO16 813.320784 NA MeJP NA NA +PJ041940 DKEEMY C34H51N7O14S 813.3215 NA PeJP NA NA +PJ041941 AAPMMMY C35H55N7O9S3 813.3224 NA PeJP NA NA +PJ041942 GSPCQHW C35H47N11O10S 813.3228 NA PeJP NA NA +PJ041943 GGGPTCHW C35H47N11O10S 813.3229 NA PeJP NA NA +PJ041944 TTTTEMM C31H55N7O14S2 813.3249 NA PeJP NA NA +PJ041945 DEEEHR C31H47N11O15 813.3253 NA PeJP NA NA +PJ041946 GGGTQEEH C31H47N11O15 813.3254 NA PeJP NA NA +PJ041947 GTLMMMM C32H59N7O9S4 813.3257 NA PeJP NA NA +PJ041948 CNQMRY C32H51N11O10S2 813.3262 NA PeJP NA NA +PJ041949 CNHFFF C40H47N9O8S 813.3269 NA PeJP NA NA +PJ041950 SSSSSTCR C28H51N11O15S 813.3287 NA PeJP NA NA +PJ041951 ASSSNYW C36H47N9O13 813.3293 NA PeJP NA NA +PJ041952 GSSSQYW C36H47N9O13 813.3294 NA PeJP NA NA +PJ041953 SSCCKMR C29H55N11O10S3 813.3296 NA PeJP NA NA +PJ041954 GCNNNHR C29H47N15O11S 813.3301 NA PeJP NA NA +PJ041955 CCQKFW C37H51N9O8S2 813.3302 NA PeJP NA NA +PJ041956 SEEMRY C33H51N9O13S 813.3327 NA PeJP NA NA +PJ041957 GGGSPPPDM C33H51N9O13S 813.3328 NA PeJP NA NA +PJ041958 GPEYYW C41H47N7O11 813.3334 NA PeJP NA NA +PJ041959 APPMMMH C34H55N9O8S3 813.3336 NA PeJP NA NA +PJ041960 CDHHFR C34H47N13O9S 813.3341 NA PeJP NA NA +PJ041961 GSSSSSTTT C29H51N9O18 813.3352 NA PeJP NA NA +PJ041962 GSSSSKMM C30H55N9O13S2 813.3361 NA PeJP NA NA +PJ041963 GSNDEHR C30H47N13O14 813.3366 NA PeJP NA NA +PJ041964 SVEMYW C38H51N7O11S 813.3367 NA PeJP NA NA +PJ041965 TCLEYW C38H51N7O11S 813.3368 NA PeJP NA NA +PJ041966 ACCKKMM C31H59N9O8S4 813.337 NA PeJP NA NA +PJ041967 CCNRRY C31H51N13O9S2 813.3374 NA PeJP NA NA +PJ041968 GGCCRRY C31H51N13O9S2 813.3375 NA PeJP NA NA +PJ041969 GMHHFW C39H47N11O7S 813.3381 NA PeJP NA NA +PJ041970 SSSLEEY C34H51N7O16 813.3392 NA PeJP NA NA +PJ041971 VTTTDDY C34H51N7O16 813.3393 NA PeJP NA NA +PJ041972 LQEMMY C35H55N7O11S2 813.3401 NA PeJP NA NA +PJ041973 SQQEHW C35H47N11O12 813.3406 NA PeJP NA NA +PJ041974 STTLMMM C32H59N7O11S3 813.3435 NA PeJP NA NA +PJ041975 GSSNMRY C32H51N11O12S 813.344 NA PeJP NA NA +PJ041976 PPNDWW C40H47N9O10 813.3446 NA PeJP NA NA +PJ041977 KMMMHH C33H55N11O7S3 813.3448 NA PeJP NA NA +PJ041978 SCQKYW C37H51N9O10S 813.348 NA PeJP NA NA +PJ041979 PYYWW C45H47N7O8 813.3486 NA PeJP NA NA +PJ041980 SSSNKEY C33H51N9O15 813.3505 NA PeJP NA NA +PJ041981 NQKMMY C34H55N9O10S2 813.3513 NA PeJP NA NA +PJ041982 VDMMRY C34H55N9O10S2 813.3514 NA PeJP NA NA +PJ041983 SNDHRW C34H47N13O11 813.3518 NA PeJP NA NA +PJ041984 APMFYW C42H51N7O8S 813.352 NA PeJP NA NA +PJ041985 SSSSSTKM C30H55N9O15S 813.3539 NA PeJP NA NA +PJ041986 PDKEYY C38H51N7O13 813.3545 NA PeJP NA NA +PJ041987 SSCKKMM C31H59N9O10S3 813.3547 NA PeJP NA NA +7447 coeliac toxic peptide GQQGYYPTSVQQSGQ 813.355 MH2+ Inhouse_peptide NA peptide +PJ041988 NQEMHR C31H51N13O11S 813.3552 NA PeJP NA NA +PJ041989 ALMMYW C39H55N7O8S2 813.3554 NA PeJP NA NA +PJ041990 ASQHWW C39H47N11O9 813.3558 NA PeJP NA NA +PJ041991 GTQHWW C39H47N11O9 813.3559 NA PeJP NA NA +MJ095260 Aclacinomycin M C42H55NO15 813.35717 NA MeJP NA NA +MJ095261 Rhodirubin A; 3''-Deoxy C42H55NO15 813.35717 NA MeJP NA NA +PJ041992 GTTLEMY C35H55N7O13S 813.3579 NA PeJP NA NA +PJ041993 AALMMMF C36H59N7O8S3 813.3588 NA PeJP NA NA +PJ041994 VNQMHW C36H51N11O9S 813.3592 NA PeJP NA NA +PJ041995 SSSSQRY C32H51N11O14 813.3617 NA PeJP NA NA +PJ041996 GGGGGGPVQE C32H51N11O14 813.3618 NA PeJP NA NA +PJ041997 CNKMRY C33H55N11O9S2 813.3626 NA PeJP NA NA +PJ041998 QQQHHH C33H47N15O10 813.3631 NA PeJP NA NA +PJ041999 PPMHFW C41H51N9O7S 813.3633 NA PeJP NA NA +PJ042000 GSSSKYW C37H51N9O12 813.3657 NA PeJP NA NA +PJ042001 TLEEHW C37H51N9O12 813.3658 NA PeJP NA NA +PJ042002 CNEHRR C30H51N15O10S 813.3664 NA PeJP NA NA +PJ042003 GGCEHRR C30H51N15O10S 813.3665 NA PeJP NA NA +PJ042004 CCKKFW C38H55N9O7S2 813.3666 NA PeJP NA NA +PJ042005 PTHHHW C38H47N13O8 813.3671 NA PeJP NA NA +PJ042006 GSTQKMY C34H55N9O12S 813.3691 NA PeJP NA NA +PJ042007 SPVYYW C42H51N7O10 813.3698 NA PeJP NA NA +PJ042008 VMMMFR C35H59N9O7S3 813.37 NA PeJP NA NA +PJ042009 GQMHRW C35H51N13O8S 813.3705 NA PeJP NA NA +PJ042010 STNNNKH C31H51N13O13 813.3729 NA PeJP NA NA +PJ042011 GSTQEHR C31H51N13O13 813.373 NA PeJP NA NA +PJ042012 TTLMYW C39H55N7O10S 813.3731 NA PeJP NA NA +PJ042013 GALEMFF C39H55N7O10S 813.3732 NA PeJP NA NA +PJ042014 APCCKHR C32H55N13O8S2 813.3738 NA PeJP NA NA +PJ042015 NNHHHR C32H47N17O9 813.3743 NA PeJP NA NA +PJ042016 STTTLEY C35H55N7O15 813.3756 NA PeJP NA NA +PJ042017 LKEMMY C36H59N7O10S2 813.3765 NA PeJP NA NA +PJ042018 GSPPDRW C36H51N11O11 813.377 NA PeJP NA NA +PJ042019 ASSCKRY C33H55N11O11S 813.3803 NA PeJP NA NA +PJ042020 GSTCKRY C33H55N11O11S 813.3804 NA PeJP NA NA +PJ042021 PPTQWW C41H51N9O9 813.381 NA PeJP NA NA +PJ042022 GCHRRW C34H51N15O7S 813.3817 NA PeJP NA NA +PJ042023 GSSDHRR C30H51N15O12 813.3842 NA PeJP NA NA +PJ042024 SCKKYW C38H55N9O9S 813.3844 NA PeJP NA NA +PJ042025 LFYWW C46H51N7O7 813.385 NA PeJP NA NA +PJ042026 SSSDKKY C34H55N9O14 813.3869 NA PeJP NA NA +PJ042027 TLMMRY C35H59N9O9S2 813.3877 NA PeJP NA NA +PJ042028 GGKKMMY C35H59N9O9S2 813.3878 NA PeJP NA NA +PJ042029 STQHRW C35H51N13O10 813.3882 NA PeJP NA NA +PJ042030 ALMFFW C43H55N7O7S 813.3884 NA PeJP NA NA +PJ042031 VLQEYY C39H55N7O12 813.3909 NA PeJP NA NA +PJ042032 GPPCERR C32H55N13O10S 813.3916 NA PeJP NA NA +PJ042033 GTKHWW C40H51N11O8 813.3922 NA PeJP NA NA +PJ042034 GGLHHFF C40H51N11O8 813.3923 NA PeJP NA NA +PJ042035 SSTLLMY C36H59N7O12S 813.3943 NA PeJP NA NA +PJ042036 PPQMRW C37H55N11O8S 813.3956 NA PeJP NA NA +PJ042037 SSSSKRY C33H55N11O13 813.3981 NA PeJP NA NA +PJ042038 APCKKMH C34H59N11O8S2 813.399 NA PeJP NA NA +PJ042039 VEHHHR C34H51N15O9 813.3995 NA PeJP NA NA +PJ042040 GPPTKEW C38H55N9O11 813.4021 NA PeJP NA NA +PJ042041 AAAAPVEW C38H55N9O11 813.4022 NA PeJP NA NA +PJ042042 SQMHRR C31H55N15O9S 813.4028 NA PeJP NA NA +PJ042043 VVHHHW C39H51N13O7 813.4035 NA PeJP NA NA +PJ042044 GSTKKMY C35H59N9O11S 813.4055 NA PeJP NA NA +PJ042045 SVLFYW C43H55N7O9 813.4061 NA PeJP NA NA +PJ042046 GLLYYW C43H55N7O9 813.4062 NA PeJP NA NA +PJ042047 PPCRRW C36H55N13O7S 813.4069 NA PeJP NA NA +PJ042048 SSPPDRR C32H55N13O12 813.4093 NA PeJP NA NA +PJ042049 PQEERR C32H55N13O12 813.4094 NA PeJP NA NA +PJ042050 PLKMYY C40H59N7O9S 813.4095 NA PeJP NA NA +PJ042051 PVVLEEE C36H59N7O14 813.412 NA PeJP NA NA +PJ042052 PVQERW C37H55N11O10 813.4134 NA PeJP NA NA +PJ042053 SCHRRR C30H55N17O8S 813.4141 NA PeJP NA NA +MJ095262 Deltamycin A2 C40H63NO16 813.414684 NA MeJP NA NA +PJ042054 GPPKEMR C34H59N11O10S 813.4167 NA PeJP NA NA +PJ042055 GGSPPLMR C34H59N11O10S 813.4168 NA PeJP NA NA +PJ042056 PPTKWW C42H55N9O8 813.4174 NA PeJP NA NA +PJ042057 PDDRRR C31H55N15O11 813.4206 NA PeJP NA NA +PJ042058 GPPVKMW C39H59N9O8S 813.4208 NA PeJP NA NA +8197 f(25-40) of bovine b-lactoglobulin AASDISLLDAQSAPLR 813.4224 MH2+ Inhouse_peptide NA peptide +PJ042059 SSTTKKY C35H59N9O13 813.4232 NA PeJP NA NA +PJ042060 TTTLLEH C35H59N9O13 813.4233 NA PeJP NA NA +PJ042061 GLLLMMH C36H63N9O8S2 813.4241 NA PeJP NA NA +PJ042062 APERRW C36H55N13O9 813.4246 NA PeJP NA NA +PJ042063 VLKEYY C40H59N7O11 813.4273 NA PeJP NA NA +PJ042064 GPPTMRR C33H59N13O9S 813.428 NA PeJP NA NA +PJ042065 GPLRWW C41H55N11O7 813.4286 NA PeJP NA NA +PJ042066 PPKMRW C38H59N11O7S 813.432 NA PeJP NA NA +PJ042067 GPVKEER C34H59N11O12 813.4345 NA PeJP NA NA +C15705 Tubulysin E C42H63N5O9S 813.4346 NA KEGG NA NA +MJ095263 Tubulysin B; 4'-Deoxy C42H63N5O9S 813.434649 NA MeJP NA NA +PJ042068 AQHFRR C35H55N15O8 813.4358 NA PeJP NA NA +PJ042069 GAAHFRR C35H55N15O8 813.4359 NA PeJP NA NA +PJ042070 AAPLKEW C39H59N9O10 813.4385 NA PeJP NA NA +PJ042071 SKMHRR C32H59N15O8S 813.4392 NA PeJP NA NA +PJ042072 STLLLMH C36H63N9O10S 813.4419 NA PeJP NA NA +PJ042073 PLKFFY C44H59N7O8 813.4425 NA PeJP NA NA +PJ042074 GALLFFF C44H59N7O8 813.4426 NA PeJP NA NA +PJ042075 PKEERR C33H59N13O11 813.4457 NA PeJP NA NA +PJ042076 GGGPDKKR C33H59N13O11 813.4458 NA PeJP NA NA +PJ042077 LLKMFY C41H63N7O8S 813.4459 NA PeJP NA NA +PJ042078 PTLLLEE C37H63N7O13 813.4484 NA PeJP NA NA +PJ042079 PPLLLMM C38H67N7O8S2 813.4493 NA PeJP NA NA +PJ042080 PVKERW C38H59N11O9 813.4498 NA PeJP NA NA +MJ095264 Oleandomycin; Tri-Ac C41H67NO15 813.45107 NA MeJP NA NA +MJ095265 Platenomycin B1 C41H67NO15 813.45107 NA MeJP NA NA +MJ095266 Platenomycin B2 C41H67NO15 813.45107 NA MeJP NA NA +C12753 Troleandomycin C41H67NO15 813.4511 NA KEGG NA NA +C12754 Transferred to D01323 C41H67NO15 813.4511 NA KEGG NA NA +C14057 Leucomycin A4 C41H67NO15 813.4511 NA KEGG NA NA +PJ042081 SPPVKMR C35H63N11O9S 813.4531 NA PeJP NA NA +PJ042082 PVVKWW C43H59N9O7 813.4538 NA PeJP NA NA +PJ042083 PTERRR C32H59N15O10 813.457 NA PeJP NA NA +PJ042084 SPLLQKE C36H63N9O12 813.4596 NA PeJP NA NA +PJ042085 APLKKEE C36H63N9O12 813.4597 NA PeJP NA NA +PJ042086 SPLRRW C37H59N13O8 813.461 NA PeJP NA NA +PJ042087 PPVLLEF C41H63N7O10 813.4637 NA PeJP NA NA +PJ042088 AAPLMRR C34H63N13O8S 813.4644 NA PeJP NA NA +PJ042089 PVLLLEM C38H67N7O10S 813.4671 NA PeJP NA NA +PJ042090 AQQRRR C31H59N17O9 813.4682 NA PeJP NA NA +PJ042091 APTLKER C35H63N11O11 813.4709 NA PeJP NA NA +PJ042092 AKHFRR C36H59N15O7 813.4722 NA PeJP NA NA +PJ042093 GPTLLKW C40H63N9O9 813.4749 NA PeJP NA NA +PJ042094 PVMRRR C33H63N15O7S 813.4756 NA PeJP NA NA +PJ042095 PPTLKKM C37H67N9O9S 813.4783 NA PeJP NA NA +PJ042096 LLKFFF C45H63N7O7 813.4789 NA PeJP NA NA +PJ042097 GNRRRR C30H59N19O8 813.4794 NA PeJP NA NA +PJ042098 GGGRRRR C30H59N19O8 813.4795 NA PeJP NA NA +PJ042099 LLQERR C34H63N13O10 813.4821 NA PeJP NA NA +PJ042100 VVLLLEE C38H67N7O12 813.4848 NA PeJP NA NA +PJ042101 VLLQRW C39H63N11O8 813.4861 NA PeJP NA NA +PJ042102 GPLLKMR C36H67N11O8S 813.4895 NA PeJP NA NA +PJ042103 VVERRR C33H63N15O9 813.4934 NA PeJP NA NA +PJ042104 SPLLKKE C37H67N9O11 813.496 NA PeJP NA NA +PJ042105 GAALLLKE C37H67N9O11 813.4961 NA PeJP NA NA +PJ042106 ALLRRW C38H63N13O7 813.4974 NA PeJP NA NA +PJ042107 PPVLLLY C42H67N7O9 813.5001 NA PeJP NA NA +PJ042108 AQKRRR C32H63N17O8 813.5046 NA PeJP NA NA +PJ042109 GVLLKER C36H67N11O10 813.5073 NA PeJP NA NA +PJ042110 AALLLKW C41H67N9O8 813.5113 NA PeJP NA NA +PJ042111 PVVLKKM C38H71N9O8S 813.5147 NA PeJP NA NA +PJ042112 LLKERR C35H67N13O9 813.5185 NA PeJP NA NA +PJ042113 TLLLLLE C39H71N7O11 813.5212 NA PeJP NA NA +PJ042114 VLLKRW C40H67N11O7 813.5225 NA PeJP NA NA +PJ042115 TLLRRR C34H67N15O8 813.5297 NA PeJP NA NA +HMDB09342 PE(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C47H76NO8P 813.530884 NA HMDB2010 NA NA +HMDB09375 PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C47H76NO8P 813.530884 NA HMDB2010 NA NA +HMDB09406 PE(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C47H76NO8P 813.530884 NA HMDB2010 NA NA +HMDB09407 PE(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C47H76NO8P 813.530884 NA HMDB2010 NA NA +HMDB09439 PE(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C47H76NO8P 813.530884 NA HMDB2010 NA NA +HMDB09440 PE(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C47H76NO8P 813.530884 NA HMDB2010 NA NA +HMDB09471 PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C47H76NO8P 813.530884 NA HMDB2010 NA NA +HMDB09598 PE(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C47H76NO8P 813.530884 NA HMDB2010 NA NA +HMDB09630 PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C47H76NO8P 813.530884 NA HMDB2010 NA NA +HMDB09631 PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C47H76NO8P 813.530884 NA HMDB2010 NA NA +HMDB09663 PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C47H76NO8P 813.530884 NA HMDB2010 NA NA +HMDB09664 PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C47H76NO8P 813.530884 NA HMDB2010 NA NA +HMDB09694 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)) C47H76NO8P 813.530884 NA HMDB2010 NA NA +HMDB09695 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)) C47H76NO8P 813.530884 NA HMDB2010 NA NA +PJ042116 ALLLKKE C38H71N9O10 813.5324 NA PeJP NA NA +PJ042117 PVLLLLF C43H71N7O8 813.5364 NA PeJP NA NA +PJ042118 VLLLLLM C40H75N7O8S 813.5398 NA PeJP NA NA +PJ042119 AKKRRR C33H67N17O7 813.541 NA PeJP NA NA +PJ042120 ATLLLKR C37H71N11O9 813.5437 NA PeJP NA NA +EUR958 PC 34:4 [M-H+acetate]- C42H76NO8P 813.551957 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR958 PC 34:4 [M-H+acetate]- C42H76NO8P 813.551957 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR958 PC 34:4 [M-H+acetate]- C42H76NO8P 813.551957 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR958 PC 34:4 [M-H+acetate]- C42H76NO8P 813.551957 masses lipides attendues Inhousejuil11 NA NA +HMDB12382 PS(18:0/20:3(8Z,11Z,14Z)) C44H80NO10P 813.552002 NA HMDB2010 NA NA +HMDB12422 PS(20:3(8Z,11Z,14Z)/18:0) C44H80NO10P 813.552002 NA HMDB2010 NA NA +PJ042121 AALKKKR C36H71N13O8 813.5549 NA PeJP NA NA +PJ042122 VKKKRR C35H71N15O7 813.5661 NA PeJP NA NA +PJ042123 SLLLLKK C39H75N9O9 813.5688 NA PeJP NA NA +PJ042124 GLLKKKK C38H75N11O8 813.58 NA PeJP NA NA +HMDB07927 PC(14:1(9Z)/24:1(15Z)) C46H88NO8P 813.624756 NA HMDB2010 NA NA +HMDB07987 PC(16:0/22:2(13Z,16Z)) C46H88NO8P 813.624756 NA HMDB2010 NA NA +HMDB08019 PC(16:1(9Z)/22:1(13Z)) C46H88NO8P 813.624756 NA HMDB2010 NA NA +HMDB08045 PC(18:0/20:2(11Z,14Z)) C46H88NO8P 813.624756 NA HMDB2010 NA NA +HMDB08077 PC(18:1(11Z)/20:1(11Z)) C46H88NO8P 813.624756 NA HMDB2010 NA NA +HMDB08110 PC(18:1(9Z)/20:1(11Z)) C46H88NO8P 813.624756 NA HMDB2010 NA NA +HMDB08143 PC(18:2(9Z,12Z)/20:0) C46H88NO8P 813.624756 NA HMDB2010 NA NA +HMDB08270 PC(20:0/18:2(9Z,12Z)) C46H88NO8P 813.624756 NA HMDB2010 NA NA +HMDB08301 PC(20:1(11Z)/18:1(11Z)) C46H88NO8P 813.624756 NA HMDB2010 NA NA +HMDB08302 PC(20:1(11Z)/18:1(9Z)) C46H88NO8P 813.624756 NA HMDB2010 NA NA +HMDB08333 PC(20:2(11Z,14Z)/18:0) C46H88NO8P 813.624756 NA HMDB2010 NA NA +HMDB08562 PC(22:1(13Z)/16:1(9Z)) C46H88NO8P 813.624756 NA HMDB2010 NA NA +HMDB08593 PC(22:2(13Z,16Z)/16:0) C46H88NO8P 813.624756 NA HMDB2010 NA NA +HMDB08789 PC(24:1(15Z)/14:1(9Z)) C46H88NO8P 813.624756 NA HMDB2010 NA NA +EUR984 PC 38:2 monoisotopic mass C46H88NO8P 813.624757 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR984 PC 38:2 monoisotopic mass C46H88NO8P 813.624757 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR984 PC 38:2 monoisotopic mass C46H88NO8P 813.624757 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR984 PC 38:2 monoisotopic mass C46H88NO8P 813.624757 masses lipides attendues Inhousejuil11 NA NA +HMDB09743 PE(24:0/P-18:1(11Z)) C47H92NO7P 813.661133 NA HMDB2010 NA NA +HMDB09744 PE(24:0/P-18:1(9Z)) C47H92NO7P 813.661133 NA HMDB2010 NA NA +HMDB09775 PE(24:1(15Z)/P-18:0) C47H92NO7P 813.661133 NA HMDB2010 NA NA +HMDB11396 PE(P-18:0/24:1(15Z)) C47H92NO7P 813.661133 NA HMDB2010 NA NA +HMDB11428 PE(P-18:1(11Z)/24:0) C47H92NO7P 813.661133 NA HMDB2010 NA NA +HMDB11461 PE(P-18:1(9Z)/24:0) C47H92NO7P 813.661133 NA HMDB2010 NA NA +EUR1119 SM(d18:1/24:1) monoisotopic mass C47H94N2O6P 813.684951 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1119 SM(d18:1/24:1) monoisotopic mass C47H94N2O6P 813.684951 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1119 SM(d18:1/24:1) monoisotopic mass C47H94N2O6P 813.684951 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1119 SM(d18:1/24:1) monoisotopic mass C47H94N2O6P 813.684951 masses lipides attendues Inhousejuil11 NA NA +MJ095267 2-Amino-1,3-eicosanediol, N-Docosanoyl, 1-O-?-D-glucopyranoside C48H95NO8 813.705769 NA MeJP NA NA +MJ095268 Aerothionin C24H26Br4N4O8 813.848414 NA MeJP NA NA +6992 potential coeliac toxic peptide (extended motif) QQQKQQQQPSSQVS 813.887 MH2+ Inhouse_peptide NA peptide +3339 human beta-casein fr, 48-61 KIHPFAQTQSLVYP 813.9275 MH2+ Inhouse_peptide NA peptide +3929 aurein 2,4 GLFDIVKKVVGTIAGL~ 813.9929 MH2+ Inhouse_peptide NA peptide +3933 aurein 2,6 GLFDIAKKVIGVIGSL~ 813.99345 MH2+ Inhouse_peptide NA peptide +C04900 Luteolin C33H34O24 814.144 NA KEGG NA NA +C04901 alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-alpha-D- C25H41N2O19R 814.144 NA KEGG NA NA +C04902 beta-D-Galactosyl-1,3-(N-acetyl-beta-D-glucosaminyl-1,6)-N-acetyl-D- C22H37N2O16R 814.144 NA KEGG NA NA +C04903 3-beta-D-Glucuronosyl-3-beta-D-galactosyl-4-beta-D-galactosyl-O- C27H42N2O23R2 814.144 NA KEGG NA NA +FL3FACGS0050 Luteolin 7-glucuronosyl-(1->2)-glucuronide-4'-glucuronide C33H34O24 814.144 101849-03-0 knapsack NA NA +FL3FACGS0051 Luteolin 7,3',4'-triglucuronide C33H34O24 814.144 53965-10-9 knapsack NA NA +MJ095269 3',4',5,7-Tetrahydroxyflavone; 3',4',7-Tri-O-?-D-glucuronopyranoside C33H34O24 814.144002 NA MeJP NA NA +MetaCyc04151 luteolin 7-O-[β-D-glucuronosyl-(1,2)-β-D-glucuronide]-4'-O-β-D-glucuronide [] C33H34O24 814.144002 NA metacyc NA NA +PJ042125 GSCCCCCH C26H42N10O10S5 814.1689 NA PeJP NA NA +PJ042126 GPCCCCDD C27H42N8O13S4 814.1755 NA PeJP NA NA +PJ042127 CCNDDDM C27H42N8O15S3 814.1932 NA PeJP NA NA +PJ042128 SPPCCCCC C28H46N8O10S5 814.1941 NA PeJP NA NA +PJ042129 GSCCCNND C26H42N10O14S3 814.2044 NA PeJP NA NA +PJ042130 GGGGGSCCCD C26H42N10O14S3 814.2045 NA PeJP NA NA +MJ095270 Ulithiacyclamide F C35H42N8O7S4 814.205928 NA MeJP NA NA +MJ095271 Ulithiacyclamide G C35H42N8O7S4 814.205928 NA MeJP NA NA +PJ042131 GCCCDEW C31H42N8O12S3 814.2085 NA PeJP NA NA +C08443 Victorin C C31H45Cl3N6O13 814.211 NA KEGG NA NA +PJ042132 GSSCCDDE C27H42N8O17S2 814.211 NA PeJP NA NA +MJ095272 Victorin B C31H45Cl3N6O13 814.211018 NA MeJP NA NA +MJ095273 Victorin C C31H45Cl3N6O13 814.211018 NA MeJP NA NA +PJ042133 GSPCCCDM C28H46N8O12S4 814.2118 NA PeJP NA NA +FL3FACGS0084 Luteorin 7-(6''''-acetylallosyl-(1->3)-glucosyl-(1->2)-glucoside;Veronicoside A;7-[(O-6-O-Acetyl-beta-D-allopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one C35H42O22 814.21677 173792-54-6 knapsack NA NA +FL5FAAGS0136 Kaempferol 3-glucosyl-(1->2)-(6''-acetylgalactoside)-7-glucoside;3-[(6-O-Acetyl-2-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C35H42O22 814.21677 382141-37-9 knapsack NA NA +FL5FACGA0041 Faratroside C35H42O22 814.21677 79378-28-2 knapsack NA NA +MJ095274 Eustomoside; 4'-O-[?-D-Glucopyranosyl-(?3)-2,3-dihydroxybenzoyl], 2',3',6'-tri-Ac C35H42O22 814.216773 NA MeJP NA NA +MJ095275 Hyperin; 6''-O-[?-D-Glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl] C35H42O22 814.216773 NA MeJP NA NA +MJ095276 Populnin; 3-O-[?-D-Glucopyranosyl-(1?2)-6-O-acetyl-?-D-galactopyranoside] C35H42O22 814.216773 NA MeJP NA NA +MJ095277 Vincetoxicoside B; 3-O-[Acetyl??[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside]] C35H42O22 814.216773 NA MeJP NA NA +MJ095278 Bizelesin C43H36Cl2N8O5 814.218571 NA MeJP NA NA +PJ042134 CCCNNQM C27H46N10O11S4 814.2231 NA PeJP NA NA +PJ042135 CCCDWW C35H42N8O9S3 814.2237 NA PeJP NA NA +PJ042136 SSCCDDW C31H42N8O14S2 814.2262 NA PeJP NA NA +PJ042137 PTCCCCW C32H46N8O9S4 814.2271 NA PeJP NA NA +PJ042138 SSSSCDDD C27H42N8O19S 814.2287 NA PeJP NA NA +PJ042139 SCNDDMM C28H46N8O14S3 814.2296 NA PeJP NA NA +PJ042140 PCCCQMM C29H50N8O9S5 814.2305 NA PeJP NA NA +FL3FCACS0025 Spinosin 6'''-(E)-sinapoyl ester;Swertisin 6'''-O-sinapoyl 2''-O-glucoside C39H42O19 814.23202 77690-91-6 knapsack NA NA +MJ095279 Swertisin; 2''-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(?6)-?-D-glucopyranosyl] C39H42O19 814.232029 NA MeJP NA NA +PJ042141 CCCCNNR C26H46N12O10S4 814.2343 NA PeJP NA NA +PJ042142 SCCCDER C27H46N10O13S3 814.2408 NA PeJP NA NA +PJ042143 PCCCCMR C28H50N10O8S5 814.2417 NA PeJP NA NA +PJ042144 GCNDDEY C31H42N8O16S 814.244 NA PeJP NA NA +PJ042145 GSCCEMW C32H46N8O11S3 814.2448 NA PeJP NA NA +PJ042146 GGPCCCEF C32H46N8O11S3 814.2449 NA PeJP NA NA +PJ042147 GSSSCDEM C28H46N8O16S2 814.2474 NA PeJP NA NA +PJ042148 GCNEMMM C29H50N8O11S4 814.2482 NA PeJP NA NA +PJ042149 SCCNDHH C29H42N12O12S2 814.2487 NA PeJP NA NA +PJ042150 PCNDDDH C30H42N10O15S 814.2552 NA PeJP NA NA +PJ042151 SSSSCCNQ C27H46N10O15S2 814.2586 NA PeJP NA NA +PJ042152 CNDDYW C35H42N8O13S 814.2592 NA PeJP NA NA +PJ042153 CCCNNKM C28H50N10O10S4 814.2594 NA PeJP NA NA +PJ042154 GCCDMMR C28H50N10O10S4 814.2595 NA PeJP NA NA +PJ042155 SCCMWW C36H46N8O8S3 814.2601 NA PeJP NA NA +PJ042156 SSNDDDY C31H42N8O18 814.2617 NA PeJP NA NA +PJ042157 SSSCDMW C32H46N8O13S2 814.2626 NA PeJP NA NA +PJ042158 CNMMMW C33H50N8O8S4 814.2635 NA PeJP NA NA +PJ042159 SSSSSDDM C28H46N8O18S 814.2651 NA PeJP NA NA +PJ042160 SSNDMMM C29H50N8O13S3 814.266 NA PeJP NA NA +PJ042161 TCCYYY C37H46N6O11S2 814.2666 NA PeJP NA NA +PJ042162 PCCCKMM C30H54N8O8S5 814.2669 NA PeJP NA NA +PJ042163 GCCQMHH C30H46N12O9S3 814.2673 NA PeJP NA NA +MJ095280 Febrinolide C40H46O18 814.268414 NA MeJP NA NA +PJ042164 DEEEMY C33H46N6O16S 814.2691 NA PeJP NA NA +PJ042165 GNDDEEH C30H42N10O17 814.273 NA PeJP NA NA +PJ042166 GCNNNMY C31H46N10O12S2 814.2738 NA PeJP NA NA +PJ042167 GGGGGCNMY C31H46N10O12S2 814.2739 NA PeJP NA NA +PJ042168 GSSSSSSCN C27H46N10O17S 814.2763 NA PeJP NA NA +PJ042169 SSCCEMR C28H50N10O12S3 814.2772 NA PeJP NA NA +PJ042170 GSPCCYW C36H46N8O10S2 814.2779 NA PeJP NA NA +PJ042171 GCCCHHR C29H46N14O8S3 814.2786 NA PeJP NA NA +MJ095281 Perdeacylemarginatine; 8-Epimer, 6,8,14-tri-Ac C39H46N2O17 814.279648 NA MeJP NA NA +PJ042172 GSNDEMY C32H46N8O15S 814.2804 NA PeJP NA NA +PJ042173 GSTCMMW C33H50N8O10S3 814.2812 NA PeJP NA NA +PJ042174 GSSSSEMM C29H50N8O15S2 814.2837 NA PeJP NA NA +PJ042175 SNNNDDH C29H42N12O16 814.2842 NA PeJP NA NA +PJ042176 GSQMMMM C30H54N8O10S4 814.2846 NA PeJP NA NA +PJ042177 SSCNMHH C30H46N12O11S2 814.2851 NA PeJP NA NA +PJ042178 EEEMMF C34H50N6O13S2 814.2878 NA PeJP NA NA +PJ042179 NDDEHW C34H42N10O14 814.2882 NA PeJP NA NA +C10473 Jionoside B1 C37H50O20 814.2895 NA KEGG NA NA +MJ095282 Cistanoside A; 3-Me ether C37H50O20 814.289544 NA MeJP NA NA +MJ095283 Premnafolioside C37H50O20 814.289544 NA MeJP NA NA +MJ095284 Purpureaside B; 4',4''-Di-Me ether C37H50O20 814.289544 NA MeJP NA NA +MJ095285 Purpureaside C; 3''',4''-Di-Me ether C37H50O20 814.289544 NA MeJP NA NA +PJ042180 GSCDDRY C31H46N10O14S 814.2916 NA PeJP NA NA +PJ042181 APCCCRY C32H50N10O9S3 814.2925 NA PeJP NA NA +PJ042182 ACCFWW C40H46N8O7S2 814.2931 NA PeJP NA NA +PJ042183 SSSSCCNK C28H50N10O14S2 814.295 NA PeJP NA NA +PJ042184 SNDMYW C36H46N8O12S 814.2956 NA PeJP NA NA +PJ042185 GSCMMMR C29H54N10O9S4 814.2958 NA PeJP NA NA +PJ042186 GACCCCKK C29H54N10O9S4 814.2959 NA PeJP NA NA +PJ042187 CMMHFF C37H50N8O7S3 814.2965 NA PeJP NA NA +PJ042188 SSSNEEY C32H46N8O17 814.2981 NA PeJP NA NA +PJ042189 SSSSMMW C33H50N8O12S2 814.299 NA PeJP NA NA +PJ042190 GCFYYY C41H46N6O10S 814.2996 NA PeJP NA NA +PJ042191 SSSSSTEM C29H50N8O17S 814.3015 NA PeJP NA NA +PJ042192 PDEEYY C37H46N6O15 814.3021 NA PeJP NA NA +PJ042193 DEEEFF C37H46N6O15 814.3022 NA PeJP NA NA +PJ042194 SSTQMMM C30H54N8O12S3 814.3023 NA PeJP NA NA +PJ042195 GGSTTMMM C30H54N8O12S3 814.3024 NA PeJP NA NA +PJ042196 GSSSTCHH C30H46N12O13S 814.3028 NA PeJP NA NA +PJ042197 GGGGGNEMH C30H46N12O13S 814.3029 NA PeJP NA NA +PJ042198 GDDHWW C38H42N10O11 814.3035 NA PeJP NA NA +PJ042199 PPCCCHR C31H50N12O8S3 814.3037 NA PeJP NA NA +MJ095286 Antibiotic BA 12100Z1; 4'''-O-Methylmalonyl, 12b-de-O-glycosyl C41H50O17 814.3048 NA MeJP NA NA +MJ095287 Terracinolide A; 7-Deacyl, 7-Ac C41H50O17 814.3048 NA MeJP NA NA +PJ042200 GSPCEHW C35H46N10O11S 814.3069 NA PeJP NA NA +PJ042201 GSSSSNNY C31H46N10O16 814.3093 NA PeJP NA NA +PJ042202 GGGSSSSNY C31H46N10O16 814.3094 NA PeJP NA NA +PJ042203 CNEMRY C32H50N10O11S2 814.3102 NA PeJP NA NA +PJ042204 GGGGAPPPCC C32H50N10O11S2 814.3103 NA PeJP NA NA +PJ042205 GTCYWW C40H46N8O9S 814.3109 NA PeJP NA NA +PJ042206 GSSSEYW C36H46N8O14 814.3134 NA PeJP NA NA +PJ042207 SSTCMMR C29H54N10O11S3 814.3136 NA PeJP NA NA +PJ042208 GCNNDHR C29H46N14O12S 814.3141 NA PeJP NA NA +PJ042209 GQMMYW C37H50N8O9S2 814.3142 NA PeJP NA NA +PJ042210 GGAMMYW C37H50N8O9S2 814.3143 NA PeJP NA NA +CJneg0656 Phenylacetylglutamine [(3M-2H+Na)]- C39H46N6NaO12 814.315525 C18rt(min)=5.95 Neg identified a,b,c,d Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0656 Phenylacetylglutamine [(3M-2H+Na)]- C39H46N6NaO12 814.315525 C18rt(min)=5.95 Neg identified a,b,c,d base_CJunot_PubAnalChem2012_NEG negative NA +PJ042211 GSTQEMY C33H50N8O14S 814.3167 NA PeJP NA NA +PJ042212 GGGTTEMY C33H50N8O14S 814.3168 NA PeJP NA NA +PJ042213 GSYYYY C41H46N6O12 814.3174 NA PeJP NA NA +PJ042214 APCCKMY C34H54N8O9S3 814.3176 NA PeJP NA NA +PJ042215 NNNMHW C34H46N12O10S 814.3181 NA PeJP NA NA +PJ042216 GSSTTTMM C30H54N8O14S2 814.3201 NA PeJP NA NA +PJ042217 GSDDEHR C30H46N12O15 814.3206 NA PeJP NA NA +PJ042218 PEEMFY C38H50N6O12S 814.3208 NA PeJP NA NA +PJ042219 GSKMMMM C31H58N8O9S4 814.321 NA PeJP NA NA +PJ042220 CCDRRY C31H50N12O10S2 814.3215 NA PeJP NA NA +PJ042221 SPCHWW C39H46N10O8S 814.3221 NA PeJP NA NA +PJ042222 LEEMMY C35H54N6O12S2 814.3241 NA PeJP NA NA +PJ042223 SQEEHW C35H46N10O13 814.3246 NA PeJP NA NA +PJ042224 GCMRYW C36H50N10O8S2 814.3255 NA PeJP NA NA +C17513 trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester C38H54O19 814.3259 NA KEGG NA NA +HMDB02376 Tricrocin C38H54O19 814.325928 NA HMDB2010 NA NA +MJ095288 Crocetin, [?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ?-D-glucopyranosyl diester C38H54O19 814.325929 NA MeJP NA NA +HMDB02376 Tricrocin C38H54O19 814.32593 http://www.hmdb.ca/metabolites/HMDB02376 HMDB NA NA +HMDB02376 Tricrocin C38H54O19 814.32593 HMDB02376 PFEM_hmdb_metabocards_official NA NA +PJ042225 GSSDMRY C32H50N10O13S 814.328 NA PeJP NA NA +PJ042226 SSSYWW C40H46N8O11 814.3286 NA PeJP NA NA +PJ042227 CQMMFR C33H54N10O8S3 814.3289 NA PeJP NA NA +PJ042228 GPCQHHH C33H46N14O9S 814.3293 NA PeJP NA NA +PJ042229 STQMYW C37H50N8O11S 814.332 NA PeJP NA NA +PJ042230 CCCCKKK C30H58N10O8S4 814.3322 NA PeJP NA NA +PJ042231 SSSDKEY C33H50N8O16 814.3345 NA PeJP NA NA +PJ042232 NKEMMY C34H54N8O11S2 814.3354 NA PeJP NA NA +PJ042233 SDDHRW C34H46N12O12 814.3358 NA PeJP NA NA +PJ042234 GGGSSQHW C34H46N12O12 814.3359 NA PeJP NA NA +PJ042235 SSSTTTTM C30H54N8O16S 814.3379 NA PeJP NA NA +PJ042236 VEEEFY C38H50N6O14 814.3385 NA PeJP NA NA +PJ042237 SSTKMMM C31H58N8O11S3 814.3387 NA PeJP NA NA +PJ042238 NEEMHR C31H50N12O12S 814.3392 NA PeJP NA NA +PJ042239 GTEHWW C39H46N10O10 814.3399 NA PeJP NA NA +PJ042240 CCMFRR C32H54N12O7S3 814.3401 NA PeJP NA NA +PJ042241 STCRYW C36H50N10O10S 814.3432 NA PeJP NA NA +PJ042242 GGVEMHW C36H50N10O10S 814.3433 NA PeJP NA NA +PJ042243 NFYWW C44H46N8O8 814.3439 NA PeJP NA NA +PJ042244 SSSSERY C32H50N10O15 814.3457 NA PeJP NA NA +PJ042245 GGSSLEEH C32H50N10O15 814.3458 NA PeJP NA NA +PJ042246 SQMMRY C33H54N10O10S2 814.3466 NA PeJP NA NA +PJ042247 QQEHHH C33H46N14O11 814.3471 NA PeJP NA NA +PJ042248 GQMFFW C41H50N8O8S 814.3473 NA PeJP NA NA +PJ042249 SSSSVYW C37H50N8O13 814.3497 NA PeJP NA NA +PJ042250 GSTTTYW C37H50N8O13 814.3498 NA PeJP NA NA +PJ042251 ASCNQHR C30H50N14O11S 814.3504 NA PeJP NA NA +PJ042252 CDEHRR C30H50N14O11S 814.3505 NA PeJP NA NA +PJ042253 GKMMYW C38H54N8O8S2 814.3506 NA PeJP NA NA +3704 NA YPFGFQG 814.351 ACE inhibitor Inhouse_peptide NA peptide +3727 NA YPFGFCQG 814.351 ACE inhibitor Inhouse_peptide NA peptide +PJ042254 NNHHFF C38H46N12O9 814.3511 NA PeJP NA NA +PJ042255 GSTKEMY C34H54N8O13S 814.3531 NA PeJP NA NA +PJ042256 GGPPVEEM C34H54N8O13S 814.3532 NA PeJP NA NA +MJ095289 RA-X; 5''-De-O-Me C42H50N6O11 814.353756 NA MeJP NA NA +PJ042257 PPEFYY C42H50N6O11 814.3538 NA PeJP NA NA +PJ042258 QKMMMF C35H58N8O8S3 814.354 NA PeJP NA NA +PJ042259 GEMHRW C35H50N12O9S 814.3545 NA PeJP NA NA +PJ042260 THWWW C43H46N10O7 814.3551 NA PeJP NA NA +PJ042261 GSTEEHR C31H50N12O14 814.357 NA PeJP NA NA +PJ042262 PLEMYY C39H54N6O11S 814.3572 NA PeJP NA NA +PJ042263 SCMRRY C32H54N12O9S2 814.3578 NA PeJP NA NA +PJ042264 GSPMMHR C32H54N12O9S2 814.3579 NA PeJP NA NA +PJ042265 NDHHHR C32H46N16O10 814.3583 NA PeJP NA NA +PJ042266 GVMHWW C40H50N10O7S 814.3585 NA PeJP NA NA +PJ042267 SKEEHW C36H50N10O12 814.361 NA PeJP NA NA +PJ042268 LMMHHF C37H54N10O7S2 814.3619 NA PeJP NA NA +PJ042269 AQHHHW C37H46N14O8 814.3623 NA PeJP NA NA +PJ042270 GAAHHHW C37H46N14O8 814.3624 NA PeJP NA NA +PJ042271 GSTTMRY C33H54N10O12S 814.3644 NA PeJP NA NA +PJ042272 PPTEWW C41H50N8O10 814.365 NA PeJP NA NA +PJ042273 CKMMFR C34H58N10O7S3 814.3652 NA PeJP NA NA +PJ042274 GPCKHHH C34H50N14O8S 814.3657 NA PeJP NA NA +3599 NA YPFGFW~ 814.367 ACE inhibitor Inhouse_peptide NA peptide +PJ042275 SSSNQHR C30H50N14O13 814.3682 NA PeJP NA NA +PJ042276 STKMYW C38H54N8O10S 814.3684 NA PeJP NA NA +PJ042277 MHRWW C39H50N12O6S 814.3697 NA PeJP NA NA +PJ042278 SSTTKEY C34H54N8O15 814.3709 NA PeJP NA NA +PJ042279 DKKMMY C35H58N8O10S2 814.3718 NA PeJP NA NA +PJ042280 STEHRW C35H50N12O11 814.3722 NA PeJP NA NA +PJ042281 GGGGPERW C35H50N12O11 814.3723 NA PeJP NA NA +PJ042282 VLEEYY C39H54N6O13 814.3749 NA PeJP NA NA +PJ042283 DKEMHR C32H54N12O11S 814.3756 NA PeJP NA NA +PJ042284 SSLHWW C40H50N10O9 814.3762 NA PeJP NA NA +PJ042285 APQQWW C40H50N10O9 814.3763 NA PeJP NA NA +PJ042286 PPEMRW C37H54N10O9S 814.3796 NA PeJP NA NA +PJ042287 AHFFFF C45H50N8O7 814.3803 NA PeJP NA NA +PJ042288 SSTTTRY C33H54N10O14 814.3821 NA PeJP NA NA +PJ042289 GGGGPVDKE C33H54N10O14 814.3822 NA PeJP NA NA +PJ042290 SKMMRY C34H58N10O9S2 814.383 NA PeJP NA NA +PJ042291 NNQHFR C34H50N14O10 814.3835 NA PeJP NA NA +PJ042292 PPVMWW C42H54N8O7S 814.3837 NA PeJP NA NA +PJ042293 SSPPLEW C38H54N8O12 814.3861 NA PeJP NA NA +PJ042294 AAPLEEW C38H54N8O12 814.3862 NA PeJP NA NA +PJ042295 SEMHRR C31H54N14O10S 814.3868 NA PeJP NA NA +PJ042296 GGGTCKHR C31H54N14O10S 814.3869 NA PeJP NA NA +3705 NA YPFGFKG 814.387 ACE inhibitor Inhouse_peptide NA peptide +PJ042297 GPNRWW C39H50N12O8 814.3875 NA PeJP NA NA +MJ095290 ?-Rhodomycin III C42H58N2O14 814.388804 NA MeJP NA NA +PJ042298 SSSLKMY C35H58N8O12S 814.3895 NA PeJP NA NA +PJ042299 PPLYYY C43H54N6O10 814.3902 NA PeJP NA NA +PJ042300 KKMMMF C36H62N8O7S3 814.3904 NA PeJP NA NA +PJ042301 SVMHRW C36H54N12O8S 814.3909 NA PeJP NA NA +PJ042302 SSTQQKH C32H54N12O13 814.3933 NA PeJP NA NA +PJ042303 PEEERR C32H54N12O13 814.3934 NA PeJP NA NA +PJ042304 LLEMFY C40H58N6O10S 814.3935 NA PeJP NA NA +PJ042305 LQMMHR C33H58N12O8S2 814.3942 NA PeJP NA NA +PJ042306 TQHHHR C33H50N16O9 814.3947 NA PeJP NA NA +PJ042307 PVEERW C37H54N10O11 814.3974 NA PeJP NA NA +PJ042308 AKHHHW C38H50N14O7 814.3987 NA PeJP NA NA +PJ042309 PTTTKMH C34H58N10O11S 814.4007 NA PeJP NA NA +PJ042310 SPPVEMR C34H58N10O11S 814.4008 NA PeJP NA NA +MJ095291 Antibiotic WIN 66306; 4'-Me ether C42H54N8O9 814.401375 NA MeJP NA NA +MJ095292 Phakellistatin 3 C42H54N8O9 814.401375 NA MeJP NA NA +PJ042311 PVVEWW C42H54N8O9 814.4014 NA PeJP NA NA +PJ042312 PCHFRR C35H54N14O7S 814.4021 NA PeJP NA NA +PJ042313 GSPNERR C31H54N14O12 814.4046 NA PeJP NA NA +PJ042314 APPTLMW C39H58N8O9S 814.4048 NA PeJP NA NA +PJ042315 CLMHRR C32H58N14O7S2 814.4055 NA PeJP NA NA +PJ042316 TTTTTKY C35H58N8O14 814.4073 NA PeJP NA NA +PJ042317 PPVLQMM C36H62N8O9S2 814.4082 NA PeJP NA NA +PJ042318 PNDKRW C36H54N12O10 814.4086 NA PeJP NA NA +PJ042319 GTTLMHR C33H58N12O10S 814.412 NA PeJP NA NA +PJ042320 APQKWW C41H54N10O8 814.4126 NA PeJP NA NA +PJ042321 GAAPKWW C41H54N10O8 814.4127 NA PeJP NA NA +MJ095293 8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 11-Benzoyl, 12-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside] C44H62O14 814.413956 NA MeJP NA NA +PJ042322 NNQQRR C30H54N16O11 814.4158 NA PeJP NA NA +PJ042323 GGGGGAQRR C30H54N16O11 814.4159 NA PeJP NA NA +PJ042324 TLKMHW C38H58N10O8S 814.416 NA PeJP NA NA +PJ042325 APTLEER C34H58N10O13 814.4185 NA PeJP NA NA +PJ042326 APPLMMR C35H62N10O8S2 814.4194 NA PeJP NA NA +PJ042327 SPNRRW C35H54N14O9 814.4199 NA PeJP NA NA +PJ042328 GPTLLEW C39H58N8O11 814.4225 NA PeJP NA NA +PJ042329 GGPPVLEF C39H58N8O11 814.4226 NA PeJP NA NA +PJ042330 PQQMRR C32H58N14O9S 814.4232 NA PeJP NA NA +PJ042331 GLHFRW C40H54N12O7 814.4239 NA PeJP NA NA +PJ042332 PPTLKEM C36H62N8O11S 814.4259 NA PeJP NA NA +PJ042333 PLLFYY C44H58N6O9 814.4266 NA PeJP NA NA +PJ042334 PKMHFR C37H58N12O7S 814.4273 NA PeJP NA NA +PJ042335 STTTLHR C33H58N12O12 814.4297 NA PeJP NA NA +PJ042336 GGAPTKER C33H58N12O12 814.4298 NA PeJP NA NA +PJ042337 LLLMYY C41H62N6O9S 814.4299 NA PeJP NA NA +PJ042338 LKMMHR C34H62N12O7S2 814.4306 NA PeJP NA NA +PJ042339 TKHHHR C34H54N16O8 814.4311 NA PeJP NA NA +PJ042340 PQKKEW C38H58N10O10 814.4338 NA PeJP NA NA +PJ042341 PCQRRR C31H58N16O8S 814.4345 NA PeJP NA NA +MJ095294 2,3,19,23,24-Pentahydroxy-12-ursen-28-oic acid, [?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl] ester C41H66O16 814.435086 NA MeJP NA NA +MJ095295 20,24-Epoxy-3,16,25-trihydroxycholestan-6-one, 16-Ac, 3-O-?-D-Sophorosyl C41H66O16 814.435086 NA MeJP NA NA +PJ042342 APVLEMR C35H62N10O10S 814.4371 NA PeJP NA NA +PJ042343 GPLLEMR C35H62N10O10S 814.4372 NA PeJP NA NA +PJ042344 PTLLWW C43H58N8O8 814.4378 NA PeJP NA NA +PJ042345 VQQERR C32H58N14O11 814.441 NA PeJP NA NA +PJ042346 GPVLLMW C40H62N8O8S 814.4412 NA PeJP NA NA +PJ042347 SPLLKEE C36H62N8O13 814.4437 NA PeJP NA NA +PJ042348 PPVLKMM C37H66N8O8S2 814.4445 NA PeJP NA NA +PJ042349 PTQKRW C37H58N12O9 814.445 NA PeJP NA NA +PJ042350 GPVQKMR C34H62N12O9S 814.4484 NA PeJP NA NA +PJ042351 APKKWW C42H58N10O7 814.449 NA PeJP NA NA +PJ042352 AQERRR C31H58N16O10 814.4522 NA PeJP NA NA +PJ042353 PLLMRW C39H62N10O7S 814.4524 NA PeJP NA NA +PJ042354 GVLLEER C35H62N10O12 814.4549 NA PeJP NA NA +PJ042355 GLQRRW C36H58N14O8 814.4562 NA PeJP NA NA +PJ042356 GGALRRW C36H58N14O8 814.4563 NA PeJP NA NA +PJ042357 AALLLEW C40H62N8O10 814.4589 NA PeJP NA NA +PJ042358 PQKMRR C33H62N14O8S 814.4596 NA PeJP NA NA +PJ042359 PVVLKEM C37H66N8O10S 814.4623 NA PeJP NA NA +PJ042360 LLLFFY C45H62N6O8 814.4629 NA PeJP NA NA +PJ042361 GDRRRR C30H58N18O9 814.4635 NA PeJP NA NA +PJ042362 LLEERR C34H62N12O11 814.4661 NA PeJP NA NA +PJ042363 GGGVLKER C34H62N12O11 814.4662 NA PeJP NA NA +PJ042364 AARRRW C35H58N16O7 814.4675 NA PeJP NA NA +PJ042365 VLLERW C39H62N10O9 814.4702 NA PeJP NA NA +PJ042366 PCKRRR C32H62N16O7S 814.4709 NA PeJP NA NA +MJ095296 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3,25-Di-O-?-D-glucopyranoside C42H70O15 814.471471 NA MeJP NA NA +MJ095297 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H70O15 814.471471 NA MeJP NA NA +MJ095298 Cycloart-23-ene-3,16,22,25,29-pentol, 3-O-?-D-Galactopyranoside, 29-O-?-D-glucopyranoside C42H70O15 814.471471 NA MeJP NA NA +MJ095299 Cycloart-24-ene-3,16,22,26,28-pentol, 3-O-?-D-Galactopyranoside, 28-O-?-D-glucopyranoside C42H70O15 814.471471 NA MeJP NA NA +MJ095300 Cycloart-25-ene-3,16,22,24,28-pentol, 3-O-?-D-Galactopyranoside, 28-O-?-D-glucopyranoside C42H70O15 814.471471 NA MeJP NA NA +MJ095301 Furostane-3,17,22,26-tetrol, 22-Me ether, 26-Ac, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C42H70O15 814.471471 NA MeJP NA NA +MJ095302 Pregn-5-ene-3,11,12,14,20-pentol, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C42H70O15 814.471471 NA MeJP NA NA +MJ095303 Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C42H70O15 814.471471 NA MeJP NA NA +MJ095304 Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] C42H70O15 814.471471 NA MeJP NA NA +MJ095305 Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C42H70O15 814.471471 NA MeJP NA NA +MJ095306 Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] C42H70O15 814.471471 NA MeJP NA NA +PJ042367 SPVLLMR C36H66N10O9S 814.4735 NA PeJP NA NA +PJ042368 VVLLWW C44H62N8O7 814.4742 NA PeJP NA NA +PJ042369 VQKERR C33H62N14O10 814.4774 NA PeJP NA NA +PJ042370 SLLLLQE C37H66N8O12 814.48 NA PeJP NA NA +PJ042371 ALLLKEE C37H66N8O12 814.4801 NA PeJP NA NA +PJ042372 PTKKRW C38H62N12O8 814.4814 NA PeJP NA NA +PJ042373 GPVKKMR C35H66N12O8S 814.4848 NA PeJP NA NA +5460 aurein 2,4 GLFDIVKKVVGTIAGL 814.48495 MH2+ Inhouse_peptide NA peptide +7046 aurein 2,6 GLFDIAKKVIGVIGSL 814.48545 MH2+ Inhouse_peptide NA peptide +PJ042374 AKERRR C32H62N16O9 814.4886 NA PeJP NA NA +PJ042375 ATLLLER C36H66N10O11 814.4913 NA PeJP NA NA +PJ042376 GLKRRW C37H62N14O7 814.4926 NA PeJP NA NA +PJ042377 GTLLLLW C41H66N8O9 814.4953 NA PeJP NA NA +PJ042378 PKKMRR C34H66N14O7S 814.496 NA PeJP NA NA +PJ042379 PTLLLKM C38H70N8O9S 814.4987 NA PeJP NA NA +PJ042380 ATRRRR C31H62N18O8 814.4998 NA PeJP NA NA +PJ042381 AALKKER C35H66N12O10 814.5025 NA PeJP NA NA +PJ042382 LLQKKW C40H66N10O8 814.5065 NA PeJP NA NA +MJ095307 Lonomycin C C43H74O14 814.507857 NA MeJP NA NA +PJ042383 GLLLLMR C37H70N10O8S 814.5099 NA PeJP NA NA +PJ042384 VKKERR C34H66N14O9 814.5138 NA PeJP NA NA +PJ042385 SLLLLKE C38H70N8O11 814.5164 NA PeJP NA NA +PJ042386 VVKKRW C39H66N12O7 814.5178 NA PeJP NA NA +PJ042387 SLKRRR C33H66N16O8 814.525 NA PeJP NA NA +PJ042388 STLLLLR C37H70N10O10 814.5277 NA PeJP NA NA +PJ042389 PVVLLKF C42H70N8O8 814.5317 NA PeJP NA NA +PJ042390 VVLLLKM C39H74N8O8S 814.5351 NA PeJP NA NA +PJ042391 GTLLKKR C36H70N12O9 814.5389 NA PeJP NA NA +PJ042392 LLKKKW C41H70N10O7 814.5429 NA PeJP NA NA +PJ042393 QKKKKR C35H70N14O8 814.5501 NA PeJP NA NA +PJ042394 SVLLKKK C38H74N10O9 814.5641 NA PeJP NA NA +PJ042395 GVKKKKK C37H74N12O8 814.5753 NA PeJP NA NA +PJ042396 KKKKKR C36H74N14O7 814.5865 NA PeJP NA NA +MJ095308 Stigmast-5-en-3-ol, O-(6-O-Hexadecanoyl-?-D-glucopyranoside) C51H90O7 814.668655 NA MeJP NA NA +HMDB12095 SM(d18:0/24:1(15Z)) C47H95N2O6P 814.692749 NA HMDB2010 NA NA +MJ095309 Archaeol; 1-O ?-D-Glucopyranoside C49H98O8 814.72617 NA MeJP NA NA +MJ095310 Archaeol; 1-O-?-D-Galactopyranoside C49H98O8 814.72617 NA MeJP NA NA +7724 NA NKLASVYALTPSLRV~ 814.97095 MH2+ Inhouse_peptide NA peptide +PJ042397 CCDDDDM C27H41N7O16S3 815.1772 NA PeJP NA NA +PJ042398 GSCCCNDD C26H41N9O15S3 815.1885 NA PeJP NA NA +PJ042399 GPCCCCCQ C27H45N9O10S5 815.1893 NA PeJP NA NA +PJ042400 CCCNNEM C27H45N9O12S4 815.2071 NA PeJP NA NA +PJ042401 SCDDDMM C28H45N7O15S3 815.2136 NA PeJP NA NA +PJ042402 PCCCEMM C29H49N7O10S5 815.2145 NA PeJP NA NA +PJ042403 CCCCNDR C26H45N11O11S4 815.2183 NA PeJP NA NA +PJ042404 GCCCNMW C31H45N9O9S4 815.2223 NA PeJP NA NA +PJ042405 GGGCCCMW C31H45N9O9S4 815.2224 NA PeJP NA NA +PJ042406 GSSCCNDM C27H45N9O14S3 815.2248 NA PeJP NA NA +PJ042407 GGGSSCCDM C27H45N9O14S3 815.2249 NA PeJP NA NA +PJ042408 GPCCCCCK C28H49N9O9S5 815.2257 NA PeJP NA NA +MJ095311 Promothiocin A C36H37N11O8S2 815.226798 NA MeJP NA NA +PJ042409 GCDDDEY C31H41N7O17S 815.228 NA PeJP NA NA +PJ042410 PCCCDEF C32H45N7O12S3 815.2289 NA PeJP NA NA +PJ042411 GCDEMMM C29H49N7O12S4 815.2322 NA PeJP NA NA +PJ042412 SCCDDHH C29H41N11O13S2 815.2327 NA PeJP NA NA +PJ042413 PCDDDDH C30H41N9O16S 815.2392 NA PeJP NA NA +PJ042414 SSCCCQW C31H45N9O11S3 815.2401 NA PeJP NA NA +PJ042415 SSSSCCNE C27H45N9O16S2 815.2426 NA PeJP NA NA +PJ042416 CDDDYW C35H41N7O14S 815.2433 NA PeJP NA NA +PJ042417 SCCNQMM C28H49N9O11S4 815.2435 NA PeJP NA NA +PJ042418 SSDDDDY C31H41N7O19 815.2457 NA PeJP NA NA +PJ042419 SPCCDEY C32H45N7O14S2 815.2466 NA PeJP NA NA +PJ042420 CDMMMW C33H49N7O9S4 815.2475 NA PeJP NA NA +PJ042421 SSDDMMM C29H49N7O14S3 815.25 NA PeJP NA NA +PJ042422 PTCCMMM C30H53N7O9S5 815.2509 NA PeJP NA NA +PJ042423 GCCEMHH C30H45N11O10S3 815.2513 NA PeJP NA NA +PJ042424 SCCCNMR C27H49N11O10S4 815.2547 NA PeJP NA NA +PJ042425 GCCCHFF C35H45N9O8S3 815.2554 NA PeJP NA NA +PJ042426 GDDDEEH C30H41N9O18 815.257 NA PeJP NA NA +PJ042427 GCCNQEY C31H45N9O13S2 815.2578 NA PeJP NA NA +PJ042428 GSSSSCCW C31H45N9O13S2 815.2579 NA PeJP NA NA +PJ042429 ACCCCKW C32H49N9O8S4 815.2587 NA PeJP NA NA +PJ042430 GSSSSSSCD C27H45N9O18S 815.2604 NA PeJP NA NA +PJ042431 GSSSCNMM C28H49N9O13S3 815.2612 NA PeJP NA NA +PJ042432 CDDMFW C36H45N7O11S2 815.2619 NA PeJP NA NA +PJ042433 GSDDEMY C32H45N7O16S 815.2644 NA PeJP NA NA +PJ042434 APCCEMY C33H49N7O11S3 815.2652 NA PeJP NA NA +PJ042435 GPCDMMY C33H49N7O11S3 815.2653 NA PeJP NA NA +PJ042436 CCMHHW C34H45N11O7S3 815.2666 NA PeJP NA NA +PJ042437 SNNDDDH C29H41N11O17 815.2682 NA PeJP NA NA +PJ042438 GSEMMMM C30H53N7O11S4 815.2686 NA PeJP NA NA +PJ042439 SSCDMHH C30H45N11O12S2 815.2691 NA PeJP NA NA +PJ042440 DDDEHW C34H41N9O15 815.2723 NA PeJP NA NA +PJ042441 GSSTCCCR C27H49N11O12S3 815.2725 NA PeJP NA NA +PJ042442 CCNQYW C35H45N9O10S2 815.2731 NA PeJP NA NA +PJ042443 SSCNNEY C31H45N9O15S 815.2756 NA PeJP NA NA +PJ042444 SSCCCKW C32H49N9O10S3 815.2765 NA PeJP NA NA +PJ042445 SSSSSCQM C28H49N9O15S2 815.279 NA PeJP NA NA +PJ042446 SDDMYW C36H45N7O13S 815.2796 NA PeJP NA NA +PJ042447 SCCNKMM C29H53N9O10S4 815.2798 NA PeJP NA NA +PJ042448 GGSCCKMM C29H53N9O10S4 815.2799 NA PeJP NA NA +MJ095312 Haligramide A; 21,36,S,S-Dioxide C37H49N7O8S3 815.280473 NA MeJP NA NA +PJ042449 PPCCCFF C37H49N7O8S3 815.2805 NA PeJP NA NA +PJ042450 SSSDEEY C32H45N7O18 815.2821 NA PeJP NA NA +PJ042451 NEEMMY C33H49N7O13S2 815.283 NA PeJP NA NA +PJ042452 SMMMMW C34H53N7O8S4 815.2839 NA PeJP NA NA +PJ042453 GPCCNHW C34H45N11O9S2 815.2843 NA PeJP NA NA +PJ042454 GGGPCCHW C34H45N11O9S2 815.2844 NA PeJP NA NA +PJ042455 SSTEMMM C30H53N7O13S3 815.2864 NA PeJP NA NA +PJ042456 GCDQQEH C30H45N11O14S 815.2868 NA PeJP NA NA +PJ042457 GNNDEMH C30H45N11O14S 815.2869 NA PeJP NA NA +PJ042458 VVCCMMM C31H57N7O8S5 815.2872 NA PeJP NA NA +PJ042459 AAMMMMM C31H57N7O8S5 815.2873 NA PeJP NA NA +PJ042460 GCCCQFR C31H49N11O9S3 815.2877 NA PeJP NA NA +PJ042461 SSSSSCCR C27H49N11O14S2 815.2902 NA PeJP NA NA +PJ042462 GSSCNYW C35H45N9O12S 815.2909 NA PeJP NA NA +PJ042463 TCCCCKR C28H53N11O9S4 815.2911 NA PeJP NA NA +PJ042464 GSSSSNDY C31H45N9O17 815.2934 NA PeJP NA NA +PJ042465 CDEMRY C32H49N9O12S2 815.2942 NA PeJP NA NA +PJ042466 GGGGGSMMY C32H49N9O12S2 815.2943 NA PeJP NA NA +PJ042467 GSSSSSSSM C28H49N9O17S 815.2967 NA PeJP NA NA +PJ042468 GSPDDYY C36H45N7O15 815.2974 NA PeJP NA NA +8223 antioxidative peptide HVCYMF 815.2974 NA ;SYN:(2S)-2-Aminopentanedioate; (2S)-2-Aminopentanedioic acid; (S)-(+)-Glutamate; (S)-(+)-Glutamic acid; (S)-2-Aminopentanedioate; (S)-2-Aminopentanedioic acid; (S)-Glutamate; (S)-Glutamic acid; 1-Aminopropane-1,3-dicarboxylate; 1-Aminopropane-1,3-dicarboxylic acid; 1-amino-propane-1,3-dicarboxylate; 1-amino-propane-1,3-dicarboxylic acid; 2-Aminoglutarate; 2-Aminoglutaric acid; 2-Aminopentanedioate; 2-Aminopentanedioic acid; Aciglut; E; Glusate; Glutacid; Glutamicol; Glutamidex; Glutaminate; Glutaminic acid; Glutaminol; Glutaton; L-(+)-Glutamate; L-(+)-Glutamic acid; L-Glutamate; L-Glutaminate; L-Glutaminic acid; L-a-Aminoglutarate; L-a-Aminoglutaric acid; L-glu; a-Aminoglutarate; a-Aminoglutaric acid; a-Glutamate; a-Glutamic acid; aminoglutarate; aminoglutaric acid; glt; glu; glut; L-alpha-Aminoglutarate; L-alpha-Aminoglutaric acid; alpha-Aminoglutarate; alpha-Aminoglutaric acid; alpha-Glutamate; alpha-Glutamic acidH2Blood; Cellular Cytoplasm; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +PJ042469 GSSTCCKM C29H53N9O12S3 815.2976 NA PeJP NA NA +PJ042470 GCNDDHR C29H45N13O13S 815.2981 NA PeJP NA NA +PJ042471 GEMMYW C37H49N7O10S2 815.2983 NA PeJP NA NA +PJ042472 GSTEEMY C33H49N7O15S 815.3008 NA PeJP NA NA +PJ042473 GSPMMMY C34H53N7O10S3 815.3016 NA PeJP NA NA +PJ042474 NNDMHW C34H45N11O11S 815.3021 NA PeJP NA NA +PJ042475 SSNNEEH C30H45N11O16 815.3046 NA PeJP NA NA +PJ042476 ATTMMMM C31H57N7O10S4 815.305 NA PeJP NA NA +PJ042477 GSCCQRY C31H49N11O11S2 815.3055 NA PeJP NA NA +PJ042478 SEEEHW C35H45N9O14 815.3086 NA PeJP NA NA +PJ042479 CCNKYW C36H49N9O9S2 815.3095 NA PeJP NA NA +PJ042480 SSSNQMY C32H49N9O14S 815.312 NA PeJP NA NA +PJ042481 GDEFYW C40H45N7O12 815.3127 NA PeJP NA NA +PJ042482 CEMMFR C33H53N9O9S3 815.3129 NA PeJP NA NA +PJ042483 GPCEHHH C33H45N13O10S 815.3133 NA PeJP NA NA +PJ042484 MMYWW C41H49N7O7S2 815.3135 NA PeJP NA NA +PJ042485 SSSSSSSST C28H49N9O19 815.3145 NA PeJP NA NA +PJ042486 SSSSSCKM C29H53N9O14S2 815.3154 NA PeJP NA NA +PJ042487 GSSSNNNH C29H45N13O15 815.3158 NA PeJP NA NA +PJ042488 GGGGGSSSNH C29H45N13O15 815.3159 NA PeJP NA NA +PJ042489 STEMYW C37H49N7O12S 815.316 NA PeJP NA NA +PJ042490 TCCCKKM C30H57N9O9S4 815.3162 NA PeJP NA NA +PJ042491 SPCCNHR C30H49N13O10S2 815.3167 NA PeJP NA NA +PJ042492 AMMMFW C38H53N7O7S3 815.3169 NA PeJP NA NA +PJ042493 GCQHWW C38H45N11O8S 815.3174 NA PeJP NA NA +PJ042494 SSTTEEY C33H49N7O17 815.3185 NA PeJP NA NA +PJ042495 DKEMMY C34H53N7O12S2 815.3194 NA PeJP NA NA +PJ042496 GSSNEHW C34H45N11O13 815.3199 NA PeJP NA NA +PJ042497 NMMHHF C35H49N11O8S2 815.3207 NA PeJP NA NA +PJ042498 TTTTMMM C31H57N7O12S3 815.3227 NA PeJP NA NA +PJ042499 SSSCNRY C31H49N11O13S 815.3232 NA PeJP NA NA +PJ042500 GGGGATEMH C31H49N11O13S 815.3233 NA PeJP NA NA +MJ095313 Pacidamycin 4N C39H45N9O11 815.323853 NA MeJP NA NA +PJ042501 GNNYYW C39H45N9O11 815.3239 NA PeJP NA NA +PJ042502 GCCCKFR C32H53N11O8S3 815.3241 NA PeJP NA NA +PJ042503 NNQMFY C36H49N9O11S 815.3272 NA PeJP NA NA +PJ042504 VDEMHW C36H49N9O11S 815.3273 NA PeJP NA NA +PJ042505 DFYWW C44H45N7O9 815.3279 NA PeJP NA NA +PJ042506 PCHHHW C37H45N13O7S 815.3286 NA PeJP NA NA +PJ042507 GSSSSTQY C32H49N9O16 815.3297 NA PeJP NA NA +PJ042508 GGGSSSTTY C32H49N9O16 815.3298 NA PeJP NA NA +PJ042509 SEMMRY C33H53N9O11S2 815.3306 NA PeJP NA NA +PJ042510 GNNNNHF C33H45N13O12 815.3311 NA PeJP NA NA +PJ042511 GPMYYW C41H49N7O9S 815.3313 NA PeJP NA NA +PJ042512 VNEEYY C37H49N7O14 815.3338 NA PeJP NA NA +PJ042513 GSNDMHR C30H49N13O12S 815.3345 NA PeJP NA NA +PJ042514 SVMMYW C38H53N7O9S2 815.3346 NA PeJP NA NA +PJ042515 GAPMMFY C38H53N7O9S2 815.3347 NA PeJP NA NA +3725 NA YPFGFEG 815.335 ACE inhibitor Inhouse_peptide NA peptide +PJ042516 SSNHWW C38H45N11O10 815.3351 NA PeJP NA NA +PJ042517 SSSLEMY C34H53N7O14S 815.3371 NA PeJP NA NA +PJ042518 PPVDEEM C34H53N7O14S 815.3372 NA PeJP NA NA +PJ042519 LQMMMY C35H57N7O9S3 815.338 NA PeJP NA NA +PJ042520 SQQMHW C35H49N11O10S 815.3385 NA PeJP NA NA +PJ042521 GPNDEER C31H49N11O15 815.341 NA PeJP NA NA +PJ042522 GSCCKRY C32H53N11O10S2 815.3419 NA PeJP NA NA +PJ042523 DDHHHR C32H45N15O11 815.3423 NA PeJP NA NA +PJ042524 GGGGGTHHH C32H45N15O11 815.3424 NA PeJP NA NA +PJ042525 PPCQWW C40H49N9O8S 815.3425 NA PeJP NA NA +PJ042526 PQQEEW C36H49N9O13 815.345 NA PeJP NA NA +PJ042527 PCMFRY C37H53N9O8S2 815.3459 NA PeJP NA NA +PJ042528 AEHHHW C37H45N13O9 815.3464 NA PeJP NA NA +PJ042529 MFFWW C45H49N7O6S 815.3465 NA PeJP NA NA +PJ042530 SSSNKMY C33H53N9O13S 815.3484 NA PeJP NA NA +PJ042531 GVEYYW C41H49N7O11 815.349 NA PeJP NA NA +PJ042532 CLMMRY C34H57N9O8S3 815.3493 NA PeJP NA NA +PJ042533 SCQHRW C34H49N13O9S 815.3497 NA PeJP NA NA +PJ042534 SSSNEHR C30H49N13O14 815.3522 NA PeJP NA NA +PJ042535 GGGGGGSPDR C30H49N13O14 815.3523 NA PeJP NA NA +PJ042536 PDKMYY C38H53N7O11S 815.3524 NA PeJP NA NA +PJ042537 NQMMHR C31H53N13O9S2 815.3531 NA PeJP NA NA +PJ042538 GCKHWW C39H49N11O7S 815.3538 NA PeJP NA NA +PJ042539 TTTTTEY C34H53N7O16 815.3549 NA PeJP NA NA +PJ042540 GTTLMMY C35H57N7O11S2 815.3558 NA PeJP NA NA +PJ042541 GSTTQHW C35H49N11O12 815.3562 NA PeJP NA NA +PJ042542 PNDERW C35H49N11O12 815.3563 NA PeJP NA NA +PJ042543 SPPNDMR C32H53N11O12S 815.3596 NA PeJP NA NA +PJ042544 GGGGGGGGPLM C32H53N11O12S 815.3597 NA PeJP NA NA +PJ042545 APQEWW C40H49N9O10 815.3603 NA PeJP NA NA +PJ042546 ANNNNNR C29H49N15O13 815.3634 NA PeJP NA NA +PJ042547 GNNNNQR C29H49N15O13 815.3635 NA PeJP NA NA +PJ042548 TLEMHW C37H53N9O10S 815.3636 NA PeJP NA NA +PJ042549 GGAPPTMW C37H53N9O10S 815.3637 NA PeJP NA NA +PJ042550 VYYWW C45H49N7O8 815.3643 NA PeJP NA NA +PJ042551 GSSSSTKY C33H53N9O15 815.3661 NA PeJP NA NA +PJ042552 GGAPKEEE C33H53N9O15 815.3662 NA PeJP NA NA +PJ042553 GSCKKMY C34H57N9O10S2 815.367 NA PeJP NA NA +PJ042554 GSSSHRW C34H49N13O11 815.3675 NA PeJP NA NA +PJ042555 GLMFYW C42H53N7O8S 815.3677 NA PeJP NA NA +PJ042556 APTTTYY C38H53N7O13 815.3701 NA PeJP NA NA +PJ042557 VDKEYY C38H53N7O13 815.3702 NA PeJP NA NA +PJ042558 ASSQMHR C31H53N13O11S 815.3708 NA PeJP NA NA +PJ042559 GSTQMHR C31H53N13O11S 815.3709 NA PeJP NA NA +PJ042560 PKMMFY C39H57N7O8S2 815.371 NA PeJP NA NA +PJ042561 GPDRWW C39H49N11O9 815.3715 NA PeJP NA NA +PJ042562 STTTLMY C35H57N7O13S 815.3735 NA PeJP NA NA +PJ042563 LKMMMY C36H61N7O8S3 815.3744 NA PeJP NA NA +PJ042564 GPPTCRW C36H53N11O9S 815.3749 NA PeJP NA NA +PJ042565 AAPWWW C44H49N9O7 815.3755 NA PeJP NA NA +PJ042566 GPTQEER C32H53N11O14 815.3774 NA PeJP NA NA +PJ042567 APPNMMR C33H57N11O9S2 815.3782 NA PeJP NA NA +PJ042568 LEMMHR C33H57N11O9S2 815.3783 NA PeJP NA NA +PJ042569 TEHHHR C33H49N15O10 815.3787 NA PeJP NA NA +PJ042570 PPCKWW C41H53N9O7S 815.3789 NA PeJP NA NA +PJ042571 PQKEEW C37H53N9O12 815.3814 NA PeJP NA NA +PJ042572 GSTCHRR C30H53N15O10S 815.3821 NA PeJP NA NA +PJ042573 VLMMHW C38H57N9O7S2 815.3823 NA PeJP NA NA +PJ042574 GNHFRW C38H49N13O8 815.3827 NA PeJP NA NA +PJ042575 GGGHFRW C38H49N13O8 815.3828 NA PeJP NA NA +PJ042576 SSTCKKY C34H57N9O12S 815.3848 NA PeJP NA NA +PJ042577 ATLYYW C42H53N7O10 815.3854 NA PeJP NA NA +PJ042578 SCKHRW C35H53N13O8S 815.3861 NA PeJP NA NA +PJ042579 GSPDERR C31H53N13O13 815.3886 NA PeJP NA NA +PJ042580 GGGGGGGGGGVK C31H53N13O13 815.3887 NA PeJP NA NA +PJ042581 VLQMYY C39H57N7O10S 815.3888 NA PeJP NA NA +PJ042582 GPPCMRR C32H57N13O8S2 815.3895 NA PeJP NA NA +PJ042583 SPLLEEE C35H57N7O15 815.3913 NA PeJP NA NA +PJ042584 PPVLEMM C36H61N7O10S2 815.3922 NA PeJP NA NA +PJ042585 PTQERW C36H53N11O11 815.3926 NA PeJP NA NA +PJ042586 GGGGAALQW C36H53N11O11 815.3927 NA PeJP NA NA +PJ042587 GPVQEMR C33H57N11O11S 815.396 NA PeJP NA NA +PJ042588 APKEWW C41H53N9O9 815.3967 NA PeJP NA NA +PJ042589 VMHHHR C34H53N15O7S 815.3974 NA PeJP NA NA +PJ042590 SSSSHRR C30H53N15O12 815.3998 NA PeJP NA NA +PJ042591 GGNQERR C30H53N15O12 815.3999 NA PeJP NA NA +PJ042592 GPPTKMW C38H57N9O9S 815.4 NA PeJP NA NA +PJ042593 GLFFFW C46H53N7O7 815.4007 NA PeJP NA NA +PJ042594 GPKKEEE C34H57N9O14 815.4025 NA PeJP NA NA +PJ042595 GGGAALLEE C34H57N9O14 815.4026 NA PeJP NA NA +PJ042596 ATLLMMH C35H61N9O9S2 815.4034 NA PeJP NA NA +PJ042597 SPDRRW C35H53N13O10 815.4039 NA PeJP NA NA +PJ042598 PKMFFF C43H57N7O7S 815.4041 NA PeJP NA NA +PJ042599 TLKEYY C39H57N7O12 815.4065 NA PeJP NA NA +PJ042600 PPVVEEF C39H57N7O12 815.4066 NA PeJP NA NA +PJ042601 PQEMRR C32H57N13O10S 815.4072 NA PeJP NA NA +PJ042602 GAPEMRR C32H57N13O10S 815.4073 NA PeJP NA NA +PJ042603 LKMMFF C40H61N7O7S2 815.4074 NA PeJP NA NA +PJ042604 APTRWW C40H53N11O8 815.4079 NA PeJP NA NA +PJ042605 PVVLEEM C36H61N7O12S 815.4099 NA PeJP NA NA +PJ042606 PVQMRW C37H57N11O8S 815.4113 NA PeJP NA NA +PJ042607 TTTTQKH C33H57N11O13 815.4137 NA PeJP NA NA +PJ042608 GPTKEER C33H57N11O13 815.4138 NA PeJP NA NA +PJ042609 GPPKMMR C34H61N11O8S2 815.4146 NA PeJP NA NA +PJ042610 GNQRRW C34H53N15O9 815.4151 NA PeJP NA NA +PJ042611 PKKEEW C38H57N9O11 815.4178 NA PeJP NA NA +PJ042612 PCERRR C31H57N15O9S 815.4185 NA PeJP NA NA +PJ042613 TTTILMH C35H61N9O11S 815.4211 NA PeJP NA NA +PJ042614 TTTLLMH C35H61N9O11S 815.4212 NA PeJP NA NA +PJ042615 PVKFYY C43H57N7O9 815.4218 NA PeJP NA NA +PJ042616 APMRRW C36H57N13O7S 815.4225 NA PeJP NA NA +PJ042617 VQEERR C32H57N13O12 815.425 NA PeJP NA NA +PJ042618 VLKMYY C40H61N7O9S 815.4252 NA PeJP NA NA +PJ042619 PNHHRR C33H53N17O8 815.4263 NA PeJP NA NA +PJ042620 GGPHHRR C33H53N17O8 815.4264 NA PeJP NA NA +PJ042621 ALLLEEE C36H61N7O14 815.4277 NA PeJP NA NA +PJ042622 PTKERW C37H57N11O10 815.429 NA PeJP NA NA +MJ095314 Maridomycin IV C40H65NO16 815.430335 NA MeJP NA NA +MJ095315 Maridomycin V C40H65NO16 815.430335 NA MeJP NA NA +MJ095316 Carboxymycobactins; Carboxymycobactin 6 C41H61N5O12 815.431672 NA MeJP NA NA +PJ042623 GPVKEMR C34H61N11O10S 815.4324 NA PeJP NA NA +PJ042624 SPLKWW C42H57N9O8 815.433 NA PeJP NA NA +PJ042625 GAALLWW C42H57N9O8 815.4331 NA PeJP NA NA +PJ042626 AEERRR C31H57N15O11 815.4362 NA PeJP NA NA +PJ042627 GGGGKERR C31H57N15O11 815.4363 NA PeJP NA NA +PJ042628 AAPLKMW C39H61N9O8S 815.4364 NA PeJP NA NA +PJ042629 SPVKKEE C35H61N9O13 815.4389 NA PeJP NA NA +PJ042630 PPCLKKM C36H65N9O8S2 815.4398 NA PeJP NA NA +PJ042631 GLERRW C36H57N13O9 815.4403 NA PeJP NA NA +PJ042632 PPVVLEY C40H61N7O11 815.4429 NA PeJP NA NA +PJ042633 PKEMRR C33H61N13O9S 815.4436 NA PeJP NA NA +PJ042634 GVLRWW C41H57N11O7 815.4443 NA PeJP NA NA +MJ095317 Bafilomycin B1 C44H65NO13 815.445591 NA MeJP NA NA +MJ095318 Bafilomycin E C44H65NO13 815.445591 NA MeJP NA NA +PJ042635 PTLLLEM C37H65N7O11S 815.4463 NA PeJP NA NA +PJ042636 SNQRRR C30H57N17O10 815.4475 NA PeJP NA NA +PJ042637 PVKMRW C38H61N11O7S 815.4476 NA PeJP NA NA +PJ042638 SSPLKER C34H61N11O12 815.4501 NA PeJP NA NA +PJ042639 AALKEER C34H61N11O12 815.4502 NA PeJP NA NA +PJ042640 GNKRRW C35H57N15O8 815.4515 NA PeJP NA NA +PJ042641 LLQKEW C39H61N9O10 815.4542 NA PeJP NA NA +PJ042642 PTMRRR C32H61N15O8S 815.4549 NA PeJP NA NA +PJ042643 LRRWW C40H57N13O6 815.4555 NA PeJP NA NA +PJ042644 SPLLQKM C36H65N9O10S 815.4575 NA PeJP NA NA +PJ042645 APLKKEM C36H65N9O10S 815.4576 NA PeJP NA NA +PJ042646 VLKFFY C44H61N7O8 815.4582 NA PeJP NA NA +PJ042647 VKEERR C33H61N13O11 815.4614 NA PeJP NA NA +PJ042648 PPVLLMF C41H65N7O8S 815.4616 NA PeJP NA NA +PJ042649 SLLLLEE C37H65N7O13 815.4641 NA PeJP NA NA +PJ042650 PVLLLMM C38H69N7O8S2 815.4649 NA PeJP NA NA +PJ042651 VVKERW C38H61N11O9 815.4654 NA PeJP NA NA +PJ042652 APTLKMR C35H65N11O9S 815.4688 NA PeJP NA NA +PJ042653 ALLKWW C43H61N9O7 815.4694 NA PeJP NA NA +PJ042654 SLERRR C32H61N15O10 815.4726 NA PeJP NA NA +PJ042655 GLLKKEE C36H65N9O12 815.4753 NA PeJP NA NA +PJ042656 SVLRRW C37H61N13O8 815.4766 NA PeJP NA NA +PJ042657 GAPLFRR C37H61N13O8 815.4767 NA PeJP NA NA +PJ042658 PPTLLLY C41H65N7O10 815.4793 NA PeJP NA NA +PJ042659 LLQMRR C34H65N13O8S 815.48 NA PeJP NA NA +PJ042660 VVLLLEM C38H69N7O10S 815.4827 NA PeJP NA NA +PJ042661 SNKRRR C31H61N17O9 815.4839 NA PeJP NA NA +PJ042662 GTLLKER C35H65N11O11 815.4865 NA PeJP NA NA +PJ042663 AAAAKKKE C35H65N11O11 815.4866 NA PeJP NA NA +PJ042664 LLKKEW C40H65N9O9 815.4906 NA PeJP NA NA +PJ042665 VVMRRR C33H65N15O7S 815.4913 NA PeJP NA NA +PJ042666 SPLLKKM C37H69N9O9S 815.4939 NA PeJP NA NA +PJ042667 GTTLLRR C34H65N13O10 815.4978 NA PeJP NA NA +PJ042668 TLLKRW C39H65N11O8 815.5018 NA PeJP NA NA +PJ042669 GVLLKMR C36H69N11O8S 815.5052 NA PeJP NA NA +PJ042670 TQKKRR C33H65N15O9 815.509 NA PeJP NA NA +PJ042671 SVLLKKE C37H69N9O11 815.5117 NA PeJP NA NA +PJ042672 AKKKRW C38H65N13O7 815.513 NA PeJP NA NA +PJ042673 PVVLLLY C42H69N7O9 815.5157 NA PeJP NA NA +PJ042674 LLKMRR C35H69N13O7S 815.5164 NA PeJP NA NA +PJ042675 TLLLLLM C39H73N7O9S 815.5191 NA PeJP NA NA +PJ042676 SSLLLKR C36H69N11O10 815.5229 NA PeJP NA NA +PJ042677 APLLKKF C41H69N9O8 815.5269 NA PeJP NA NA +PJ042678 ALLLKKM C38H73N9O8S 815.5303 NA PeJP NA NA +PJ042679 KKKKER C35H69N13O9 815.5342 NA PeJP NA NA +MJ095319 Nephilatoxin 5 C40H69N11O7 815.538143 NA MeJP NA NA +PJ042680 VKKKKW C40H69N11O7 815.5382 NA PeJP NA NA +PJ042681 TKKKRR C34H69N15O8 815.5454 NA PeJP NA NA +EUR1026 PC 40:8 [M-H-CH3]- C48H80NO8P 815.546507 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1026 PC 40:8 [M-H-CH3]- C48H80NO8P 815.546507 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1026 PC 40:8 [M-H-CH3]- C48H80NO8P 815.546507 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1026 PC 40:8 [M-H-CH3]- C48H80NO8P 815.546507 masses lipides attendues Inhousejuil11 NA NA +HMDB09309 PE(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C47H78NO8P 815.546509 NA HMDB2010 NA NA +HMDB09340 PE(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C47H78NO8P 815.546509 NA HMDB2010 NA NA +HMDB09341 PE(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C47H78NO8P 815.546509 NA HMDB2010 NA NA +HMDB09373 PE(20:3(8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C47H78NO8P 815.546509 NA HMDB2010 NA NA +HMDB09374 PE(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C47H78NO8P 815.546509 NA HMDB2010 NA NA +HMDB09405 PE(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) C47H78NO8P 815.546509 NA HMDB2010 NA NA +HMDB09438 PE(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C47H78NO8P 815.546509 NA HMDB2010 NA NA +HMDB09596 PE(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C47H78NO8P 815.546509 NA HMDB2010 NA NA +HMDB09597 PE(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C47H78NO8P 815.546509 NA HMDB2010 NA NA +HMDB09628 PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)) C47H78NO8P 815.546509 NA HMDB2010 NA NA +HMDB09629 PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)) C47H78NO8P 815.546509 NA HMDB2010 NA NA +HMDB09661 PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)) C47H78NO8P 815.546509 NA HMDB2010 NA NA +HMDB09662 PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)) C47H78NO8P 815.546509 NA HMDB2010 NA NA +HMDB09693 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) C47H78NO8P 815.546509 NA HMDB2010 NA NA +PJ042682 TTLLLKK C38H73N9O10 815.5481 NA PeJP NA NA +MJ095320 Nairaiamide B C43H73N7O8 815.552062 NA MeJP NA NA +PJ042683 VVLLLLF C43H73N7O8 815.5521 NA PeJP NA NA +PJ042684 ATLKKKK C37H73N11O9 815.5593 NA PeJP NA NA +EUR953 PC 34:3 [M-H+acetate]- C42H78NO8P 815.567607 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR953 PC 34:3 [M-H+acetate]- C42H78NO8P 815.567607 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR953 PC 34:3 [M-H+acetate]- C42H78NO8P 815.567607 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR953 PC 34:3 [M-H+acetate]- C42H78NO8P 815.567607 masses lipides attendues Inhousejuil11 NA NA +HMDB08753 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) C48H82NO7P 815.582886 NA HMDB2010 NA NA +HMDB08754 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(9Z)) C48H82NO7P 815.582886 NA HMDB2010 NA NA +HMDB11295 PC(P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H82NO7P 815.582886 NA HMDB2010 NA NA +HMDB11328 PC(P-18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H82NO7P 815.582886 NA HMDB2010 NA NA +HMDB07894 PC(14:0/24:1(15Z)) C46H90NO8P 815.640381 NA HMDB2010 NA NA +HMDB07926 PC(14:1(9Z)/24:0) C46H90NO8P 815.640381 NA HMDB2010 NA NA +HMDB07986 PC(16:0/22:1(13Z)) C46H90NO8P 815.640381 NA HMDB2010 NA NA +HMDB08018 PC(16:1(9Z)/22:0) C46H90NO8P 815.640381 NA HMDB2010 NA NA +HMDB08044 PC(18:0/20:1(11Z)) C46H90NO8P 815.640381 NA HMDB2010 NA NA +HMDB08076 PC(18:1(11Z)/20:0) C46H90NO8P 815.640381 NA HMDB2010 NA NA +HMDB08109 PC(18:1(9Z)/20:0) C46H90NO8P 815.640381 NA HMDB2010 NA NA +HMDB08268 PC(20:0/18:1(11Z)) C46H90NO8P 815.640381 NA HMDB2010 NA NA +HMDB08269 PC(20:0/18:1(9Z)) C46H90NO8P 815.640381 NA HMDB2010 NA NA +HMDB08300 PC(20:1(11Z)/18:0) C46H90NO8P 815.640381 NA HMDB2010 NA NA +HMDB08529 PC(22:0/16:1(9Z)) C46H90NO8P 815.640381 NA HMDB2010 NA NA +HMDB08561 PC(22:1(13Z)/16:0) C46H90NO8P 815.640381 NA HMDB2010 NA NA +HMDB08756 PC(24:0/14:1(9Z)) C46H90NO8P 815.640381 NA HMDB2010 NA NA +HMDB08788 PC(24:1(15Z)/14:0) C46H90NO8P 815.640381 NA HMDB2010 NA NA +MJ095321 2-Amino-6-octadecene-1,3,4-triol, N-(2-Hydroxydocosanoyl), 1-O-?-D-glucopyranoside C46H89NO10 815.648648 NA MeJP NA NA +MJ095322 2-Amino-8-octadecene-1,3,4-triol, N-(2R-Hydroxydocosanoyl), 1-O-?-D-glucopyranoside C46H89NO10 815.648648 NA MeJP NA NA +HMDB09742 PE(24:0/P-18:0) C47H94NO7P 815.676819 NA HMDB2010 NA NA +HMDB11395 PE(P-18:0/24:0) C47H94NO7P 815.676819 NA HMDB2010 NA NA +MJ095323 2-Amino-1,3,4-octadecanetriol, N-Tricosanoyl, 1-O-?-D-glucopyranoside C47H93NO9 815.685033 NA MeJP NA NA +EUR1114 SM(d18:1/24:0) monoisotopic mass C47H96N2O6P 815.700601 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1114 SM(d18:1/24:0) monoisotopic mass C47H96N2O6P 815.700601 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1114 SM(d18:1/24:0) monoisotopic mass C47H96N2O6P 815.700601 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1114 SM(d18:1/24:0) monoisotopic mass C47H96N2O6P 815.700601 masses lipides attendues Inhousejuil11 NA NA +HMDB11697 SM(d18:1/24:0) C47H96N2O6P 815.700623 NA HMDB2010 NA NA +MJ095324 Carpinin A C34H24O24 816.065751 NA MeJP NA NA +MJ095325 Furosinin C34H24O24 816.065751 NA MeJP NA NA +MJ095326 Leptosin K2 C34H36N6O6S6 816.102057 NA MeJP NA NA +PJ042685 GSCCCDDD C26H40N8O16S3 816.1725 NA PeJP NA NA +C13503 Nitro blue tetrazolium C40H30N10O6 816.1727 NA KEGG NA NA +C13504 Transferred to D02004 C40H30N10O6 816.1727 NA KEGG NA NA +PJ042686 APCCCCCD C27H44N8O11S5 816.1733 NA PeJP NA NA +PJ042687 GPCCCCCE C27H44N8O11S5 816.1734 NA PeJP NA NA +PJ042688 PCCCCCW C31H44N8O8S5 816.1886 NA PeJP NA NA +PJ042689 CCCNDEM C27H44N8O13S4 816.1911 NA PeJP NA NA +PJ042690 CCCCDDR C26H44N10O12S4 816.2023 NA PeJP NA NA +PJ042691 GGGGGTCCCC C26H44N10O12S4 816.2024 NA PeJP NA NA +MJ095327 3,3',4',5,7-Pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3''',3'''',3'''''-Trideoxy C45H36O15 816.20542 NA MeJP NA NA +MJ095328 Antibiotic PF 1158A C45H36O15 816.20542 NA MeJP NA NA +PJ042692 GCCCDMW C31H44N8O10S4 816.2064 NA PeJP NA NA +PJ042693 GSSCCDDM C27H44N8O15S3 816.2089 NA PeJP NA NA +PJ042694 GPTCCCCM C28H48N8O10S5 816.2097 NA PeJP NA NA +FL5FAAGA0033 Kaempferol 3-(6''-sinapylglucosyl)-(1->2)-galactoside C38H40O20 816.21129 168781-59-7 knapsack NA NA +MJ095329 Trifolin; 2''-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(?6)-?-D-glucopyranosyl] C38H40O20 816.211293 NA MeJP NA NA +PJ042695 SSSCCCNN C26H44N10O14S3 816.2201 NA PeJP NA NA +PJ042696 SSCCCEW C31H44N8O12S3 816.2241 NA PeJP NA NA +MJ095330 Oxanthromicin; 3-O-?-D-Galactopyranoside C42H40O17 816.226549 NA MeJP NA NA +PJ042697 SSSSCCDE C27H44N8O17S2 816.2266 NA PeJP NA NA +PJ042698 SCCNEMM C28H48N8O12S4 816.2275 NA PeJP NA NA +MJ095331 Aurantoside A C36H46Cl2N2O15 816.227524 NA MeJP NA NA +PJ042699 CCCYYY C36H44N6O10S3 816.2281 NA PeJP NA NA +FL5FAIGL0003 Syringetin 3-rutinoside-7-glucoside C35H44O22 816.23242 55481-94-2 knapsack NA NA +FL5FFCGS0026 Limocitrin 3-rutinoside-7-glucoside;Gossypetin 8,3'-dimethyl ether 3-rutinoside-7-glucoside;3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4H-1-benzopyran-4-one C35H44O22 816.23242 301647-86-9 knapsack NA NA +MJ095332 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-D-glucopyranoside C35H44O22 816.232423 NA MeJP NA NA +MJ095333 3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-D-glucopyranoside C35H44O22 816.232423 NA MeJP NA NA +MJ095334 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C35H45O22(+) 816.232423 NA MeJP NA NA +PJ042700 CCCNNNF C30H44N10O11S3 816.2353 NA PeJP NA NA +PJ042701 GGCCCNNF C30H44N10O11S3 816.2354 NA PeJP NA NA +PJ042702 SCCCDMR C27H48N10O11S4 816.2387 NA PeJP NA NA +MJ095335 5-O-?-L-Arabinofuranosyl-L-arabinose; ?-Furanose-form, Me glycoside, pentabenzoyl C46H40O14 816.241805 NA MeJP NA NA +PJ042703 GCNDDMY C31H44N8O14S2 816.2419 NA PeJP NA NA +PJ042704 GSCCMMW C32H48N8O9S4 816.2427 NA PeJP NA NA +PJ042705 GGPCCCMF C32H48N8O9S4 816.2428 NA PeJP NA NA +PJ042706 GSSSCDMM C28H48N8O14S3 816.2452 NA PeJP NA NA +PJ042707 GCNMMMM C29H52N8O9S5 816.2461 NA PeJP NA NA +PJ042708 SCCCQHH C29H44N12O10S3 816.2466 NA PeJP NA NA +MJ095336 Premnoside B C39H44O19 816.247679 NA MeJP NA NA +PJ042709 SNDDDDH C29H40N10O18 816.2522 NA PeJP NA NA +PJ042710 GGSDDDDH C29H40N10O18 816.2523 NA PeJP NA NA +PJ042711 SCCNNNY C30H44N10O13S2 816.2531 NA PeJP NA NA +PJ042712 CCNEYW C35H44N8O11S2 816.2571 NA PeJP NA NA +PJ042713 VCCCCMR C28H52N10O8S5 816.2573 NA PeJP NA NA +PJ042714 ACCCMMR C28H52N10O8S5 816.2574 NA PeJP NA NA +PJ042715 SSCNDEY C31H44N8O16S 816.2596 NA PeJP NA NA +PJ042716 SSTCCMW C32H48N8O11S3 816.2605 NA PeJP NA NA +PJ042717 SSSSSCEM C28H48N8O16S2 816.263 NA PeJP NA NA +PJ042718 SSCQMMM C29H52N8O11S4 816.2639 NA PeJP NA NA +PJ042719 GSSSCCHH C29H44N12O12S2 816.2643 NA PeJP NA NA +PJ042720 DEEMMY C33H48N6O14S2 816.267 NA PeJP NA NA +PJ042721 GPCCDHW C34H44N10O10S2 816.2684 NA PeJP NA NA +MJ095337 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)][4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C36H48O21 816.268808 NA MeJP NA NA +MJ095338 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)][4-hydroxy-3-methoxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] C36H48O21 816.268808 NA MeJP NA NA +PJ042722 GNDDEMH C30H44N10O15S 816.2709 NA PeJP NA NA +PJ042723 GCCCEFR C31H48N10O10S3 816.2717 NA PeJP NA NA +PJ042724 GCCYWW C39H44N8O8S2 816.2724 NA PeJP NA NA +PJ042725 GSSCDYW C35H44N8O13S 816.2749 NA PeJP NA NA +PJ042726 SSCCMMR C28H52N10O10S4 816.2751 NA PeJP NA NA +PJ042727 CCQMFW C36H48N8O8S3 816.2758 NA PeJP NA NA +PJ042728 GSSSSDDY C31H44N8O18 816.2774 NA PeJP NA NA +PJ042729 ATCCQEY C32H48N8O13S2 816.2782 NA PeJP NA NA +PJ042730 GSNDMMY C32H48N8O13S2 816.2783 NA PeJP NA NA +PJ042731 GCCNHHF C33H44N12O9S2 816.2796 NA PeJP NA NA +PJ042732 DDEEFY C36H44N6O16 816.2814 NA PeJP NA NA +PJ042733 GSSSSMMM C29H52N8O13S3 816.2816 NA PeJP NA NA +PJ042734 GCDDDHR C29H44N12O14S 816.2821 NA PeJP NA NA +PJ042735 ACCKMMM C30H56N8O8S5 816.2825 NA PeJP NA NA +PJ042736 SCCCKHH C30H48N12O9S3 816.283 NA PeJP NA NA +PJ042737 EEMMMF C34H52N6O11S3 816.2857 NA PeJP NA NA +PJ042738 NDDMHW C34H44N10O12S 816.2861 NA PeJP NA NA +PJ042739 CCCFRW C35H48N10O7S3 816.287 NA PeJP NA NA +PJ042740 SSNDEEH C30H44N10O17 816.2886 NA PeJP NA NA +PJ042741 GGGGGGPDDE C30H44N10O17 816.2887 NA PeJP NA NA +PJ042742 GSCCERY C31H48N10O12S2 816.2895 NA PeJP NA NA +PJ042743 MMMMHH C32H52N10O7S4 816.2904 NA PeJP NA NA +PJ042744 NNDEYY C35H44N8O15 816.2926 NA PeJP NA NA +PJ042745 GGGGDEYY C35H44N8O15 816.2927 NA PeJP NA NA +PJ042746 SCQMYW C36H48N8O10S2 816.2935 NA PeJP NA NA +PJ042747 SSSNEMY C32H48N8O15S 816.296 NA PeJP NA NA +PJ042748 NQMMMY C33H52N8O10S3 816.2969 NA PeJP NA NA +PJ042749 GSCNHHY C33H44N12O11S 816.2973 NA PeJP NA NA +PJ042750 GSCNNHW C33H44N12O11S 816.2974 NA PeJP NA NA +MJ095339 12,17-Epoxy-2,5,7,9,10,11,19-heptahydroxy-4(20)-taxen-13-one, 5-Cinnamoyl, 19-benzoyl, 2,7,9,10-tetra-Ac C44H48O15 816.29932 NA MeJP NA NA +PJ042751 SSSSSTMM C29H52N8O15S2 816.2994 NA PeJP NA NA +PJ042752 GSSSNNDH C29H44N12O16 816.2999 NA PeJP NA NA +PJ042753 PDEMYY C37H48N6O13S 816.3 NA PeJP NA NA +PJ042754 SSCKMMM C30H56N8O10S4 816.3002 NA PeJP NA NA +PJ042755 TTCCKMM C30H56N8O10S4 816.3003 NA PeJP NA NA +PJ042756 SPCCDHR C30H48N12O11S2 816.3007 NA PeJP NA NA +PJ042757 GGGGGGGMMH C30H48N12O11S2 816.3008 NA PeJP NA NA +PJ042758 GCEHWW C38H44N10O9S 816.3014 NA PeJP NA NA +PJ042759 GSSDEHW C34H44N10O14 816.3039 NA PeJP NA NA +PJ042760 SCCRYW C35H48N10O9S2 816.3047 NA PeJP NA NA +PJ042761 GSPCMHW C35H48N10O9S2 816.3048 NA PeJP NA NA +PJ042762 SSSCDRY C31H48N10O14S 816.3072 NA PeJP NA NA +PJ042763 PPCDDDR C31H48N10O14S 816.3073 NA PeJP NA NA +PJ042764 GNDYYW C39H44N8O12 816.3079 NA PeJP NA NA +PJ042765 CNMMRY C32H52N10O9S3 816.3081 NA PeJP NA NA +PJ042766 NNNNNNN C28H44N14O15 816.3111 NA PeJP NA NA +PJ042767 GSSSMYW C36H48N8O12S 816.3113 NA PeJP NA NA +PJ042768 GCCNQHR C29H48N14O10S2 816.312 NA PeJP NA NA +PJ042769 CCKMFW C37H52N8O7S3 816.3121 NA PeJP NA NA +PJ042770 GSSSSTEY C32H48N8O17 816.3138 NA PeJP NA NA +PJ042771 GSTQMMY C33H52N8O12S2 816.3146 NA PeJP NA NA +PJ042772 GSPPPCEM C33H52N8O12S2 816.3147 NA PeJP NA NA +PJ042773 GNNNDHF C33H44N12O13 816.3151 NA PeJP NA NA +PJ042774 CHWWW C42H44N10O6S 816.3166 NA PeJP NA NA +PJ042775 VDEEYY C37H48N6O15 816.3178 NA PeJP NA NA +PJ042776 GSDDMHR C30H48N12O13S 816.3185 NA PeJP NA NA +PJ042777 PEMMFY C38H52N6O10S2 816.3187 NA PeJP NA NA +PJ042778 SSDHWW C38H44N10O11 816.3191 NA PeJP NA NA +PJ042779 APCCMHR C31H52N12O8S3 816.3194 NA PeJP NA NA +MJ095340 Bussein K C41H52O17 816.32045 NA MeJP NA NA +MJ095341 Terracinolide A; 13?-Hydroxy, 15-de-Ac C41H52O17 816.32045 NA MeJP NA NA +MJ095342 Utilin C41H52O17 816.32045 NA MeJP NA NA +PJ042780 LEMMMY C35H56N6O10S3 816.322 NA PeJP NA NA +PJ042781 SQEMHW C35H48N10O11S 816.3225 NA PeJP NA NA +PJ042782 CHHHHF C36H44N14O7S 816.3239 NA PeJP NA NA +PJ042783 GPDDEER C31H48N10O16 816.325 NA PeJP NA NA +PJ042784 GSTCMRY C32H52N10O11S2 816.3259 NA PeJP NA NA +PJ042785 ASNDHHH C32H44N14O12 816.3263 NA PeJP NA NA +PJ042786 GSNEHHH C32H44N14O12 816.3264 NA PeJP NA NA +PJ042787 PPCEWW C40H48N8O9S 816.3265 NA PeJP NA NA +PJ042788 SSSSTYW C36H48N8O14 816.329 NA PeJP NA NA +PJ042789 SSCNNHR C29H48N14O12S 816.3297 NA PeJP NA NA +PJ042790 SCKMYW C37H52N8O9S2 816.3299 NA PeJP NA NA +PJ042791 SSSDKMY C33H52N8O14S 816.3324 NA PeJP NA NA +PJ042792 PPDYYY C41H48N6O12 816.333 NA PeJP NA NA +PJ042793 PDEFFY C41H48N6O12 816.3331 NA PeJP NA NA +PJ042794 NKMMMY C34H56N8O9S3 816.3333 NA PeJP NA NA +PJ042795 SCEHRW C34H48N12O10S 816.3337 NA PeJP NA NA +PJ042796 SSSDEHR C30H48N12O15 816.3362 NA PeJP NA NA +PJ042797 GGSPNDDR C30H48N12O15 816.3363 NA PeJP NA NA +PJ042798 VEEMFY C38H52N6O12S 816.3364 NA PeJP NA NA +PJ042799 NEMMHR C31H52N12O10S2 816.3371 NA PeJP NA NA +PJ042800 GTMHWW C39H48N10O8S 816.3378 NA PeJP NA NA +PJ042801 PDDERW C35H48N10O13 816.3403 NA PeJP NA NA +PJ042802 VNMMHW C36H52N10O8S2 816.3411 NA PeJP NA NA +PJ042803 SNHHHW C36H44N14O9 816.3416 NA PeJP NA NA +PJ042804 SSSSMRY C32H52N10O13S 816.3436 NA PeJP NA NA +PJ042805 GGGGGGPVEM C32H52N10O13S 816.3437 NA PeJP NA NA +PJ042806 APEEWW C40H48N8O11 816.3443 NA PeJP NA NA +PJ042807 APCKMMH C33H56N10O8S3 816.3445 NA PeJP NA NA +PJ042808 QQMHHH C33H48N14O9S 816.345 NA PeJP NA NA +PJ042809 GNNNNER C29H48N14O14 816.3475 NA PeJP NA NA +PJ042810 VNQMYY C37H52N8O11S 816.3476 NA PeJP NA NA +PJ042811 GPPTEMW C37H52N8O11S 816.3477 NA PeJP NA NA +PJ042812 GCCNKHR C30H52N14O9S2 816.3483 NA PeJP NA NA +PJ042813 CDMHRR C30H52N14O9S2 816.3484 NA PeJP NA NA +PJ042814 SSSSSSLY C33H52N8O16 816.3501 NA PeJP NA NA +PJ042815 GPKEEEE C33H52N8O16 816.3502 NA PeJP NA NA +PJ042816 GSTKMMY C34H56N8O11S2 816.351 NA PeJP NA NA +PJ042817 NNQQQW C34H48N12O12 816.3515 NA PeJP NA NA +PJ042818 PPMFYY C42H52N6O9S 816.3517 NA PeJP NA NA +PJ042819 GMMHRW C35H52N12O7S2 816.3524 NA PeJP NA NA +PJ042820 TLEEYY C38H52N6O14 816.3542 NA PeJP NA NA +PJ042821 GSTEMHR C31H52N12O12S 816.3549 NA PeJP NA NA +PJ042822 PLMMYY C39H56N6O9S2 816.355 NA PeJP NA NA +PJ042823 LEMMFF C39H56N6O9S2 816.3551 NA PeJP NA NA +PJ042824 STTHWW C39H48N10O10 816.3555 NA PeJP NA NA +PJ042825 CQHHHR C32H48N16O8S 816.3562 NA PeJP NA NA +PJ042826 SKEMHW C36H52N10O10S 816.3589 NA PeJP NA NA +PJ042827 GNFFFW C44H48N8O8 816.3595 NA PeJP NA NA +PJ042828 GGGFFFW C44H48N8O8 816.3596 NA PeJP NA NA +PJ042829 GPTEEER C32H52N10O15 816.3614 NA PeJP NA NA +MJ095343 Antibiotic CP 54883 C41H62Cl2O12 816.361832 NA MeJP NA NA +PJ042830 GPPEMMR C33H56N10O10S2 816.3623 NA PeJP NA NA +PJ042831 NNNNRW C33H48N14O11 816.3627 NA PeJP NA NA +PJ042832 GGGGGGNRW C33H48N14O11 816.3628 NA PeJP NA NA +PJ042833 PPTMWW C41H52N8O8S 816.3629 NA PeJP NA NA +PJ042834 PKEEEW C37H52N8O13 816.3654 NA PeJP NA NA +PJ042835 GPCNDRR C30H52N14O11S 816.3661 NA PeJP NA NA +PJ042836 GPPVMMW C38H56N8O8S2 816.3663 NA PeJP NA NA +PJ042837 GDHFRW C38H48N12O9 816.3668 NA PeJP NA NA +PJ042838 SSTTKMY C34H56N8O13S 816.3688 NA PeJP NA NA +PJ042839 PVEFYY C42H52N6O11 816.3694 NA PeJP NA NA +PJ042840 STMHRW C35H52N12O9S 816.3701 NA PeJP NA NA +PJ042841 AAHFWW C43H48N10O7 816.3708 NA PeJP NA NA +PJ042842 SSTTEHR C31H52N12O14 816.3726 NA PeJP NA NA +PJ042843 GGGGGGAQKE C31H52N12O14 816.3727 NA PeJP NA NA +PJ042844 VLEMYY C39H56N6O11S 816.3728 NA PeJP NA NA +PJ042845 DKMMHR C32H56N12O9S2 816.3735 NA PeJP NA NA +PJ042846 GSSHHHR C32H48N16O10 816.374 NA PeJP NA NA +PJ042847 PCKHFW C40H52N10O7S 816.3742 NA PeJP NA NA +PJ042848 SSSTLHW C36H52N10O12 816.3766 NA PeJP NA NA +PJ042849 PTEERW C36H52N10O12 816.3767 NA PeJP NA NA +PJ042850 PPMMRW C37H56N10O7S2 816.3775 NA PeJP NA NA +PJ042851 GPVEEMR C33H56N10O12S 816.38 NA PeJP NA NA +PJ042852 SPLEWW C41H52N8O10 816.3807 NA PeJP NA NA +PJ042853 APPCHHR C34H52N14O8S 816.3814 NA PeJP NA NA +PJ042854 GSNQQQR C30H52N14O13 816.3838 NA PeJP NA NA +PJ042855 NNEERR C30H52N14O13 816.3839 NA PeJP NA NA +PJ042856 AAPLEMW C38H56N8O10S 816.384 NA PeJP NA NA +PJ042857 GPVVEMW C38H56N8O10S 816.3841 NA PeJP NA NA +PJ042858 PPFFFY C46H52N6O8 816.3847 NA PeJP NA NA +PJ042859 SPVKEEE C34H56N8O15 816.3865 NA PeJP NA NA +PJ042860 GGALLEEE C34H56N8O15 816.3866 NA PeJP NA NA +PJ042861 PPVDKMM C35H60N8O10S2 816.3874 NA PeJP NA NA +PJ042862 AQQERW C35H52N12O11 816.3879 NA PeJP NA NA +PJ042863 PLMFFY C43H56N6O8S 816.3881 NA PeJP NA NA +PJ042864 LHHHHH C36H48N16O7 816.3892 NA PeJP NA NA +MJ095344 Vinflunine C45H54F2N4O8 816.390971 NA MeJP NA NA +PJ042865 SSSLMHR C32H56N12O11S 816.3912 NA PeJP NA NA +PJ042866 PEEMRR C32H56N12O11S 816.3913 NA PeJP NA NA +PJ042867 LLMMFY C40H60N6O8S2 816.3914 NA PeJP NA NA +PJ042868 SPNKWW C40H52N10O9 816.3919 NA PeJP NA NA +PJ042869 CKHHHR C33H52N16O7S 816.3926 NA PeJP NA NA +PJ042870 GSNNNRR C29H52N16O12 816.3951 NA PeJP NA NA +PJ042871 PVEMRW C37H56N10O9S 816.3953 NA PeJP NA NA +PJ042872 AALEEER C33H56N10O14 816.3978 NA PeJP NA NA +PJ042873 SPPVMMR C34H60N10O9S2 816.3986 NA PeJP NA NA +PJ042874 PPTCLMR C34H60N10O9S2 816.3987 NA PeJP NA NA +PJ042875 GNERRW C34H52N14O10 816.3991 NA PeJP NA NA +PJ042876 PVVMWW C42H56N8O7S 816.3993 NA PeJP NA NA +MJ095345 N-Deacyltunicamycin; N4''-(12-Methyl-2-tridecenoyl) C37H60N4O16 816.400431 NA MeJP NA NA +MJ095346 N-Deacyltunicamycin; N4''-(2-Tetradecenoyl) C37H60N4O16 816.400431 NA MeJP NA NA +PJ042877 LLQEEW C38H56N8O12 816.4018 NA PeJP NA NA +MJ095347 Oscillariolide C41H69BrO11 816.402325 NA MeJP NA NA +PJ042878 GSPNMRR C31H56N14O10S 816.4025 NA PeJP NA NA +PJ042879 AAQRWW C39H52N12O8 816.4031 NA PeJP NA NA +PJ042880 GGGVRWW C39H52N12O8 816.4032 NA PeJP NA NA +PJ042881 APLKEEM C35H60N8O12S 816.4052 NA PeJP NA NA +PJ042882 PVLYYY C43H56N6O10 816.4058 NA PeJP NA NA +PJ042883 PCQKRW C36H56N12O8S 816.4065 NA PeJP NA NA +PJ042884 VEEERR C32H56N12O13 816.409 NA PeJP NA NA +PJ042885 ACCKKKH C33H60N12O8S2 816.4099 NA PeJP NA NA +PJ042886 PDHHRR C33H52N16O9 816.4104 NA PeJP NA NA +PJ042887 VVEERW C37H56N10O11 816.413 NA PeJP NA NA +PJ042888 AAAAAKEW C37H56N10O11 816.4131 NA PeJP NA NA +MJ095348 2-Hydroxy-6-(16-hydroxyheptadecyl)benzoic acid, 16'-O-[(2-O-Acetyl-?-D-mannopyranosyl)-(1?5)-2-O-acetyl-D-mannonoyl] C40H64O17 816.41435 NA MeJP NA NA +PJ042889 NRRWW C38H52N14O7 816.4144 NA PeJP NA NA +PJ042890 APTLEMR C34H60N10O11S 816.4164 NA PeJP NA NA +MJ095349 Axinellin A C42H56N8O9 816.417025 NA MeJP NA NA +MJ095350 Pseudostellarin G C42H56N8O9 816.417025 NA MeJP NA NA +PJ042891 ALLEWW C42H56N8O9 816.4171 NA PeJP NA NA +PJ042892 AMHFRR C35H56N14O7S 816.4178 NA PeJP NA NA +PJ042893 TQQERR C31H56N14O12 816.4202 NA PeJP NA NA +PJ042894 NDKERR C31H56N14O12 816.4203 NA PeJP NA NA +PJ042895 GPTLLMW C39H60N8O9S 816.4204 NA PeJP NA NA +PJ042896 PLFFFF C47H56N6O7 816.4211 NA PeJP NA NA +PJ042897 GLLKEEE C35H60N8O14 816.4229 NA PeJP NA NA +PJ042898 PPTLKMM C36H64N8O9S2 816.4238 NA PeJP NA NA +PJ042899 AQKERW C36H56N12O10 816.4243 NA PeJP NA NA +PJ042900 LLMFFF C44H60N6O7S 816.4245 NA PeJP NA NA +PJ042901 GPTQKMR C33H60N12O10S 816.4276 NA PeJP NA NA +PJ042902 GGAPTKMR C33H60N12O10S 816.4277 NA PeJP NA NA +PJ042903 GLQKWW C41H56N10O8 816.4283 NA PeJP NA NA +MJ095351 Cryptoporic acid G; 5'''?15-Lactone C44H64O14 816.429606 NA MeJP NA NA +PJ042904 SNERRR C30H56N16O11 816.4315 NA PeJP NA NA +PJ042905 PQKKMW C38H60N10O8S 816.4317 NA PeJP NA NA +PJ042906 STLLQQQ C34H60N10O13 816.4341 NA PeJP NA NA +PJ042907 GTLLEER C34H60N10O13 816.4342 NA PeJP NA NA +PJ042908 GPLLMMR C35H64N10O8S2 816.435 NA PeJP NA NA +PJ042909 GDKRRW C35H56N14O9 816.4355 NA PeJP NA NA +PJ042910 LLKEEW C39H60N8O11 816.4382 NA PeJP NA NA +PJ042911 VQQMRR C32H60N14O9S 816.4389 NA PeJP NA NA +PJ042912 AAKRWW C40H56N12O7 816.4395 NA PeJP NA NA +PJ042913 SPLLKEM C36H64N8O11S 816.4416 NA PeJP NA NA +PJ042914 VLLFYY C44H60N6O9 816.4422 NA PeJP NA NA +PJ042915 PCKKRW C37H60N12O7S 816.4429 NA PeJP NA NA +PJ042916 QKKEER C33H60N12O12 816.4454 NA PeJP NA NA +PJ042917 GSRRRW C34H56N16O8 816.4467 NA PeJP NA NA +PJ042918 TLLERW C38H60N10O10 816.4494 NA PeJP NA NA +PJ042919 AQMRRR C31H60N16O8S 816.4501 NA PeJP NA NA +MJ095352 Pregn-5-ene-3,8,11,12,14,20-hexol, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-digitoxopyranoside] C41H68O16 816.450736 NA MeJP NA NA +PJ042920 GVLLEMR C35H64N10O10S 816.4528 NA PeJP NA NA +PJ042921 SLLLWW C43H60N8O8 816.4534 NA PeJP NA NA +PJ042922 GPVVLFW C43H60N8O8 816.4535 NA PeJP NA NA +PJ042923 TQKERR C32H60N14O11 816.4566 NA PeJP NA NA +PJ042924 GGGGGTKKR C32H60N14O11 816.4567 NA PeJP NA NA +PJ042925 AALLLMW C40H64N8O8S 816.4568 NA PeJP NA NA +PJ042926 SVLLKEE C36H64N8O13 816.4593 NA PeJP NA NA +PJ042927 PVVLKMM C37H68N8O8S2 816.4602 NA PeJP NA NA +PJ042928 AKKERW C37H60N12O9 816.4607 NA PeJP NA NA +PJ042929 ACRRRR C30H60N18O7S 816.4614 NA PeJP NA NA +PJ042930 LLEMRR C34H64N12O9S 816.464 NA PeJP NA NA +PJ042931 GLKKWW C42H60N10O7 816.4647 NA PeJP NA NA +MJ095353 Cholesta-5,24-diene-3,11,16,22-tetrol, 24,25-Dihydro, 16-O-[3,4,5-trimethoxybenzoyl-(?3)-2-O-acetyl-?-L-rhamnopyranoside] C45H68O13 816.465992 NA MeJP NA NA +PJ042932 SDKRRR C31H60N16O10 816.4679 NA PeJP NA NA +PJ042933 VLLMRW C39H64N10O7S 816.468 NA PeJP NA NA +PJ042934 SSLLLER C35H64N10O12 816.4705 NA PeJP NA NA +PJ042935 VVTTLER C35H64N10O12 816.4706 NA PeJP NA NA +PJ042936 ATKRRW C36H60N14O8 816.4719 NA PeJP NA NA +PJ042937 ATTLLLW C40H64N8O10 816.4746 NA PeJP NA NA +PJ042938 VQKMRR C33H64N14O8S 816.4753 NA PeJP NA NA +PJ042939 ALLLKEM C37H68N8O10S 816.4779 NA PeJP NA NA +PJ042940 VVVLKEM C37H68N8O10S 816.478 NA PeJP NA NA +PJ042941 SSRRRR C30H60N18O9 816.4791 NA PeJP NA NA +PJ042942 KKKEER C34H64N12O11 816.4818 NA PeJP NA NA +PJ042943 VLHHRR C35H60N16O7 816.4831 NA PeJP NA NA +3322 NA RRPYIL 816.485 celiac toxic Inhouse_peptide NA peptide +PJ042944 VKKKEW C39H64N10O9 816.4858 NA PeJP NA NA +PJ042945 AKMRRR C32H64N16O7S 816.4865 NA PeJP NA NA +MJ095354 20,24-Epoxydammarane-3,12-25,30-tetrol, 25,30-Di-O-?-D-glucopyranoside C42H72O15 816.487121 NA MeJP NA NA +MJ095355 20,24-Epoxydammarane-3,6,12,25-tetrol, 6-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H72O15 816.487121 NA MeJP NA NA +MJ095356 21,28-Epoxy-3,18,23,29-baccharanetetrol, 3,23-Di-O-?-D-glucopyranoside C42H72O15 816.487121 NA MeJP NA NA +MJ095357 21,28-Epoxy-3,18,23,29-baccharanetetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H72O15 816.487121 NA MeJP NA NA +MJ095358 21,28-Epoxy-3,18,23,29-baccharanetetrol, 3-O-?-D-Glucopyranoside, 23-O-?-D-glucopyranoside C42H72O15 816.487121 NA MeJP NA NA +MJ095359 21,28-Epoxy-3,18,23,29-baccharanetetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H72O15 816.487121 NA MeJP NA NA +MJ095360 21-Baccharene-3,18,23,28,29-pentol, 3,28-Di-O-?-D-glucopyranoside C42H72O15 816.487121 NA MeJP NA NA +MJ095361 Cucurbit-5-ene-3,11,20,24,25-pentol, 3,25-Di-O-?-D-glucopyranoside C42H72O15 816.487121 NA MeJP NA NA +MJ095362 Cucurbit-5-ene-3,22,23,24,25-pentol, 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] C42H72O15 816.487121 NA MeJP NA NA +MJ095363 Cucurbit-5-ene-3,22,23,24,25-pentol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C42H72O15 816.487121 NA MeJP NA NA +MJ095364 Cycloartane-3,16,20,24,25-pentol, 16-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C42H72O15 816.487121 NA MeJP NA NA +MJ095365 Cycloartane-3,16,20,24,25-pentol, 3-O-[?-D-Glucopyranosyl(1?2)-?-D-glucopyranoside] C42H72O15 816.487121 NA MeJP NA NA +MJ095366 Dammar-23-ene-3,6,12,20,25-pentol, 6,20-Di-O-?-D-glucopyranoside C42H72O15 816.487121 NA MeJP NA NA +MJ095367 Dammar-24-ene-1,3,12,20,26-pentol, 20-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C42H72O15 816.487121 NA MeJP NA NA +PJ042946 ATLLLMR C36H68N10O9S 816.4892 NA PeJP NA NA +PJ042947 TKKERR C33H64N14O10 816.493 NA PeJP NA NA +HMDB10674 PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H73O10P 816.494141 NA HMDB2010 NA NA +HMDB10689 PG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H73O10P 816.494141 NA HMDB2010 NA NA +PJ042948 TTLLLKE C37H68N8O12 816.4957 NA PeJP NA NA +PJ042949 SLKKRW C38H64N12O8 816.497 NA PeJP NA NA +PJ042950 AALKKMR C35H68N12O8S 816.5004 NA PeJP NA NA +MJ095368 12-Oleanene-3,16,21,22,24,28-hexol, 21-O-(3,4-Diangeloyl-6-deoxy-?-D-glucopyranoside) C46H72O12 816.502377 NA MeJP NA NA +MJ095369 12-Oleanene-3,16,21,22,24,28-hexol, 21-O-(3,4-Diangeloyl-?-D-fucopyranoside) C46H72O12 816.502377 NA MeJP NA NA +PJ042951 TTKRRR C32H64N16O9 816.5043 NA PeJP NA NA +MJ095370 1,2-Diacylglycerol 3-(6-deoxy-6-sulfo-?-D-glucopyranosides); 2-O-Hexadecanoyl-1-O-(9Z,12Z,15Z-octadecatrienoyl)glycerol 3-(6-deoxy-6-sulfo-?-D-glucopyranoside)-form C43H76O12S 816.505748 NA MeJP NA NA +MJ095371 1,2-Diacylglycerol 3-(6-deoxy-6-sulfo-?-D-glucopyranosides); 2-O-Hexadecanoyl-1-O-(9Z,12Z,15Z-octadecatrienoyl)glycerol 3-(6-deoxy-6-sulfo-?-D-glucopyranoside)-form C43H76O12S 816.505748 NA MeJP NA NA +PJ042952 TTTLLLR C36H68N10O11 816.5069 NA PeJP NA NA +PJ042953 APLLLKY C41H68N8O9 816.511 NA PeJP NA NA +PJ042954 VKKMRR C34H68N14O7S 816.5117 NA PeJP NA NA +PJ042955 SLLLLKM C38H72N8O9S 816.5143 NA PeJP NA NA +PJ042956 ATTLKKR C35H68N12O10 816.5182 NA PeJP NA NA +PJ042957 GVLLLFR C40H68N10O8 816.5222 NA PeJP NA NA +PJ042958 GLLKKKM C37H72N10O8S 816.5256 NA PeJP NA NA +PJ042959 LLLFRR C39H68N12O7 816.5334 NA PeJP NA NA +PJ042960 STLLKKK C37H72N10O10 816.5433 NA PeJP NA NA +PJ042961 ALLLLKF C42H72N8O8 816.5473 NA PeJP NA NA +PJ042962 GTKKKKK C36H72N12O9 816.5546 NA PeJP NA NA +MJ095372 34-Ethylhuratoxin; 5-Deoxy, 6,7-deepoxy, 6,7,26,27-tetradehydro, 20-hexadecanoyl C52H80O7 816.590404 NA MeJP NA NA +MJ095373 Crambescidin 816 C45H80N6O7 816.608848 NA MeJP NA NA +EUR1098 SM(d18:1/20:1) [M-H+acetate]- C43H85N2O6P 816.635626 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1098 SM(d18:1/20:1) [M-H+acetate]- C43H85N2O6P 816.635626 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1098 SM(d18:1/20:1) [M-H+acetate]- C43H85N2O6P 816.635626 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1098 SM(d18:1/20:1) [M-H+acetate]- C43H85N2O6P 816.635626 masses lipides attendues Inhousejuil11 NA NA +MJ095374 Plastoquinone; Plastoquinone 10 C58H88O2 816.678432 NA MeJP NA NA +HMDB12094 SM(d18:0/24:0) C47H97N2O6P 816.708435 NA HMDB2010 NA NA +HMDB11706 TG(15:0/18:1(9Z)/16:1(9Z))[iso6] C52H96O6 816.720703 NA HMDB2010 NA NA +HMDB11710 TG(15:0/18:2(9Z,12Z)/16:0)[iso6] C52H96O6 816.720703 NA HMDB2010 NA NA +MJ095375 1-Octacosanol; Octacosanoyl C56H112O2 816.866232 NA MeJP NA NA +PJ042963 CCCDDEM C27H43N7O14S4 817.1751 NA PeJP NA NA +PJ042964 CCCCCHF C30H43N9O8S5 817.1839 NA PeJP NA NA +PJ042965 GSCCCCNE C26H43N9O13S4 817.1863 NA PeJP NA NA +PJ042966 GGGSCCCCE C26H43N9O13S4 817.1864 NA PeJP NA NA +PJ042967 SCCCCNW C30H43N9O10S4 817.2016 NA PeJP NA NA +PJ042968 SSSCCCND C26H43N9O15S3 817.2041 NA PeJP NA NA +PJ042969 CCCNNMM C27H47N9O10S5 817.205 NA PeJP NA NA +PJ042970 PCCCDDY C31H43N7O13S3 817.2081 NA PeJP NA NA +PJ042971 SCCDEMM C28H47N7O13S4 817.2115 NA PeJP NA NA +PJ042972 PCCCMMM C29H51N7O8S6 817.2124 NA PeJP NA NA +PJ042973 CCCCCQR C26H47N11O9S5 817.2162 NA PeJP NA NA +FL7AACGL0036 Alatanin 1 C38H41O20 817.21911 131189-50-9 knapsack NA NA +FL7AACGL0037 Alatanin C C38H41O20 817.21911 138688-63-8 knapsack NA NA +PJ042974 CCCNNDF C30H43N9O12S3 817.2194 NA PeJP NA NA +PJ042975 GSSCCCQM C27H47N9O12S4 817.2227 NA PeJP NA NA +PJ042976 GCDDDMY C31H43N7O15S2 817.2259 NA PeJP NA NA +PJ042977 PCCCDMF C32H47N7O10S4 817.2268 NA PeJP NA NA +PJ042978 GCDMMMM C29H51N7O10S5 817.2301 NA PeJP NA NA +PJ042979 SCCCEHH C29H43N11O11S3 817.2306 NA PeJP NA NA +PJ042980 GSSCCCCR C26H47N11O11S4 817.234 NA PeJP NA NA +PJ042981 SDDDDDH C29H39N9O19 817.2363 NA PeJP NA NA +PJ042982 SCCNNDY C30H43N9O14S2 817.2371 NA PeJP NA NA +FL7AAIGL0007 Malvidin 3-gentiotrioside C35H45O22 817.24024 - knapsack NA NA +FL7AAIGL0008 Malvidin 3-sophoroside-5-glucoside C35H45O22 817.24024 61811-04-9 knapsack NA NA +PJ042983 SSSSCCNM C27H47N9O14S3 817.2405 NA PeJP NA NA +PJ042984 CCDEYW C35H43N7O12S2 817.2411 NA PeJP NA NA +PJ042985 CCCCQKM C28H51N9O9S5 817.2414 NA PeJP NA NA +PJ042986 SSCDDEY C31H43N7O17S 817.2436 NA PeJP NA NA +PJ042987 SPCCDMY C32H47N7O12S3 817.2445 NA PeJP NA NA +PJ042988 SSCEMMM C29H51N7O12S4 817.2479 NA PeJP NA NA +PJ042989 GCCMMHH C30H47N11O8S4 817.2492 NA PeJP NA NA +PJ042990 CCCCCKR C27H51N11O8S5 817.2526 NA PeJP NA NA +PJ042991 GDDDEMH C30H43N9O16S 817.2549 NA PeJP NA NA +PJ042992 GCCNQMY C31H47N9O11S3 817.2557 NA PeJP NA NA +PJ042993 GGGCCQMY C31H47N9O11S3 817.2558 NA PeJP NA NA +PJ042994 GSSSSSTCC C27H47N9O16S2 817.2582 NA PeJP NA NA +PJ042995 GCDDDFF C35H43N7O14S 817.2589 NA PeJP NA NA +PJ042996 GSSCCCKM C28H51N9O11S4 817.2591 NA PeJP NA NA +PJ042997 CCNNNNH C28H43N13O12S2 817.2596 NA PeJP NA NA +PJ042998 CCEMFW C36H47N7O9S3 817.2598 NA PeJP NA NA +PJ042999 GSDDMMY C32H47N7O14S2 817.2623 NA PeJP NA NA +PJ043000 APCCMMY C33H51N7O9S4 817.2631 NA PeJP NA NA +PJ043001 GCCDHHF C33H43N11O10S2 817.2636 NA PeJP NA NA +PJ043002 SCNNDEH C29H43N11O15S 817.2661 NA PeJP NA NA +PJ043003 GSMMMMM C30H55N7O9S5 817.2665 NA PeJP NA NA +PJ043004 GCCCNRY C30H47N11O10S3 817.267 NA PeJP NA NA +PJ043005 DDDMHW C34H43N9O13S 817.2701 NA PeJP NA NA +PJ043006 SSDDEEH C30H43N9O18 817.2726 NA PeJP NA NA +PJ043007 GGPNDDDE C30H43N9O18 817.2727 NA PeJP NA NA +PJ043008 SSCNNMY C31H47N9O13S2 817.2735 NA PeJP NA NA +PJ043009 PPCCMMH C32H51N9O8S4 817.2744 NA PeJP NA NA +PJ043010 SSSSSSSSC C27H47N9O18S 817.276 NA PeJP NA NA +PJ043011 NDDEYY C35H43N7O16 817.2767 NA PeJP NA NA +PJ043012 SSSTCCCK C28H51N9O13S3 817.2769 NA PeJP NA NA +PJ043013 SCEMYW C36H47N7O11S2 817.2775 NA PeJP NA NA +PJ043014 CCCCKKM C29H55N9O8S5 817.2778 NA PeJP NA NA +PJ043015 SSSDEMY C32H47N7O16S 817.28 NA PeJP NA NA +PJ043016 NEMMMY C33H51N7O11S3 817.2809 NA PeJP NA NA +PJ043017 GSCNDHW C33H43N11O12S 817.2814 NA PeJP NA NA +PJ043018 GSSSNDDH C29H43N11O17 817.2839 NA PeJP NA NA +PJ043019 SSTMMMM C30H55N7O11S4 817.2843 NA PeJP NA NA +PJ043020 GNNDMMH C30H47N11O12S2 817.2847 NA PeJP NA NA +PJ043021 GGGNDMMH C30H47N11O12S2 817.2848 NA PeJP NA NA +PJ043022 GPNDDDW C34H43N9O15 817.2879 NA PeJP NA NA +PJ043023 GCCNQFF C35H47N9O10S2 817.2888 NA PeJP NA NA +PJ043024 GSSSSCQY C31H47N9O15S 817.2913 NA PeJP NA NA +PJ043025 GDDYYW C39H43N7O13 817.2919 NA PeJP NA NA +PJ043026 CDMMRY C32H51N9O10S3 817.2921 NA PeJP NA NA +PJ043027 GGGPPPCCM C32H51N9O10S3 817.2922 NA PeJP NA NA +PJ043028 PCCFYW C40H47N7O8S2 817.2928 NA PeJP NA NA +PJ043029 NNNNNND C28H43N13O16 817.2951 NA PeJP NA NA +PJ043030 GGGGGGGGGGGGD C28H43N13O16 817.2952 NA PeJP NA NA +PJ043031 GSPCEYY C36H47N7O13S 817.2953 NA PeJP NA NA +PJ043032 GCCNEHR C29H47N13O11S2 817.296 NA PeJP NA NA +PJ043033 GMMMYW C37H51N7O8S3 817.2962 NA PeJP NA NA +PJ043034 GPEEEEE C32H47N7O18 817.2978 NA PeJP NA NA +PJ043035 ASSEMMY C33H51N7O13S2 817.2986 NA PeJP NA NA +PJ043036 GSTEMMY C33H51N7O13S2 817.2987 NA PeJP NA NA +PJ043037 GNNDDHF C33H43N11O14 817.2991 NA PeJP NA NA +PJ043038 GGGGGDDHF C33H43N11O14 817.2992 NA PeJP NA NA +PJ043039 QMMMMF C34H55N7O8S4 817.2995 NA PeJP NA NA +PJ043040 CNQMHW C34H47N11O9S2 817.3 NA PeJP NA NA +PJ043041 SSNNEMH C30H47N11O14S 817.3025 NA PeJP NA NA +PJ043042 PCCCQKH C31H51N11O9S3 817.3034 NA PeJP NA NA +PJ043043 GCNNHHH C31H43N15O10S 817.3038 NA PeJP NA NA +PJ043044 GGGCNHHH C31H43N15O10S 817.3039 NA PeJP NA NA +PJ043045 SEEMHW C35H47N9O12S 817.3065 NA PeJP NA NA +PJ043046 SSSSSSNY C31H47N9O17 817.309 NA PeJP NA NA +PJ043047 SSCCQKY C32H51N9O12S2 817.3099 NA PeJP NA NA +PJ043048 GSDEHHH C32H43N13O13 817.3104 NA PeJP NA NA +PJ043049 SPCYYW C40H47N7O10S 817.3105 NA PeJP NA NA +PJ043050 CMMMFR C33H55N9O7S4 817.3108 NA PeJP NA NA +PJ043051 CCNHRW C33H47N13O8S2 817.3112 NA PeJP NA NA +PJ043052 SQEEYY C36H47N7O15 817.313 NA PeJP NA NA +PJ043053 PEEEEW C36H47N7O15 817.3131 NA PeJP NA NA +PJ043054 SSCNDHR C29H47N13O13S 817.3137 NA PeJP NA NA +PJ043055 STMMYW C37H51N7O10S2 817.3139 NA PeJP NA NA +PJ043056 SSTTEMY C33H51N7O15S 817.3164 NA PeJP NA NA +PJ043057 DKMMMY C34H55N7O10S3 817.3173 NA PeJP NA NA +PJ043058 GSTCQHW C34H47N11O11S 817.3177 NA PeJP NA NA +PJ043059 GSSNMHW C34H47N11O11S 817.3178 NA PeJP NA NA +PJ043060 ANNDQQE C30H47N11O16 817.3202 NA PeJP NA NA +PJ043061 SPNDDDR C30H47N11O16 817.3203 NA PeJP NA NA +PJ043062 DEMMHR C31H51N11O11S2 817.3211 NA PeJP NA NA +PJ043063 PCEHFW C39H47N9O9S 817.3218 NA PeJP NA NA +PJ043064 GSPNEEW C35H47N9O14 817.3243 NA PeJP NA NA +PJ043065 APPCNMW C36H51N9O9S2 817.3251 NA PeJP NA NA +PJ043066 VDMMHW C36H51N9O9S2 817.3252 NA PeJP NA NA +PJ043067 SDHHHW C36H43N13O10 817.3256 NA PeJP NA NA +PJ043068 GSSSSCKY C32H51N9O14S 817.3276 NA PeJP NA NA +PJ043069 GGAPQEEM C32H51N9O14S 817.3277 NA PeJP NA NA +PJ043070 GTEYYW C40H47N7O12 817.3283 NA PeJP NA NA +PJ043071 SMMMRY C33H55N9O9S3 817.3285 NA PeJP NA NA +PJ043072 QEMHHH C33H47N13O10S 817.329 NA PeJP NA NA +PJ043073 GMMFFW C41H51N7O7S2 817.3292 NA PeJP NA NA +PJ043074 GNNNDER C29H47N13O15 817.3315 NA PeJP NA NA +PJ043075 VNEMYY C37H51N7O12S 817.3317 NA PeJP NA NA +PJ043076 FYYYY C45H47N5O10 817.3323 NA PeJP NA NA +PJ043077 GSCQMHR C30H51N13O10S2 817.3324 NA PeJP NA NA +PJ043078 CQHHFF C38H47N11O8S 817.333 NA PeJP NA NA +3706 NA YPFGFMG 817.3334 ACE inhibitor Inhouse_peptide NA peptide +PJ043079 SPVEEEE C33H51N7O17 817.3342 NA PeJP NA NA +PJ043080 SSSLMMY C34H55N7O12S2 817.335 NA PeJP NA NA +PJ043081 PPVDEMM C34H55N7O12S2 817.3351 NA PeJP NA NA +PJ043082 SSSSQHW C34H47N11O13 817.3355 NA PeJP NA NA +PJ043083 KMMMMF C35H59N7O7S4 817.3359 NA PeJP NA NA +PJ043084 GPPCCRW C35H51N11O8S2 817.3364 NA PeJP NA NA +PJ043085 GPNDEMR C31H51N11O13S 817.3389 NA PeJP NA NA +PJ043086 SPNEWW C39H47N9O11 817.3395 NA PeJP NA NA +PJ043087 GGGGGGFFY C39H47N9O11 817.3396 NA PeJP NA NA +PJ043088 PCCCKKH C32H55N11O8S3 817.3398 NA PeJP NA NA +PJ043089 CEHHHR C32H47N15O9S 817.3402 NA PeJP NA NA +PJ043090 PQQEMW C36H51N9O11S 817.3429 NA PeJP NA NA +PJ043091 TYYWW C44H47N7O9 817.3435 NA PeJP NA NA +PJ043092 GDFFFW C44H47N7O9 817.3436 NA PeJP NA NA +PJ043093 AMHHHW C37H47N13O7S 817.3443 NA PeJP NA NA +PJ043094 TTTTEEH C32H51N9O16 817.3454 NA PeJP NA NA +PJ043095 SSCCKKY C33H55N9O11S2 817.3463 NA PeJP NA NA +PJ043096 NNNDRW C33H47N13O12 817.3467 NA PeJP NA NA +PJ043097 GGNNDRW C33H47N13O12 817.3468 NA PeJP NA NA +PJ043098 GVMYYW C41H51N7O9S 817.3469 NA PeJP NA NA +PJ043099 NHHHHH C34H43N17O8 817.3481 NA PeJP NA NA +PJ043100 SKEEYY C37H51N7O14 817.3494 NA PeJP NA NA +PJ043101 GPCDDRR C30H51N13O12S 817.3501 NA PeJP NA NA +PJ043102 VQMMFY C38H55N7O9S2 817.3503 NA PeJP NA NA +PJ043103 GNQQWW C38H47N11O10 817.3508 NA PeJP NA NA +PJ043104 TTTTTMY C34H55N7O14S 817.3528 NA PeJP NA NA +PJ043105 PNDMRW C35H51N11O10S 817.3541 NA PeJP NA NA +PJ043106 GGPDMRW C35H51N11O10S 817.3542 NA PeJP NA NA +PJ043107 GSPWWW C43H47N9O8 817.3548 NA PeJP NA NA +PJ043108 QQEEER C31H51N11O15 817.3566 NA PeJP NA NA +PJ043109 GGAAEEER C31H51N11O15 817.3567 NA PeJP NA NA +PJ043110 SPPCQMR C32H55N11O10S2 817.3575 NA PeJP NA NA +PJ043111 MRYYW C40H51N9O8S 817.3581 NA PeJP NA NA +PJ043112 APQMWW C40H51N9O8S 817.3582 NA PeJP NA NA +PJ043113 VQQEEW C36H51N9O13 817.3607 NA PeJP NA NA +PJ043114 TLMMHW C37H55N9O8S2 817.3615 NA PeJP NA NA +PJ043115 TTHHHW C37H47N13O9 817.362 NA PeJP NA NA +PJ043116 STTLEMH C33H55N9O13S 817.364 NA PeJP NA NA +PJ043117 GGAPKEEM C33H55N9O13S 817.3641 NA PeJP NA NA +PJ043118 SSLYYW C41H51N7O11 817.3647 NA PeJP NA NA +PJ043119 GVLMMMH C34H59N9O8S3 817.3649 NA PeJP NA NA +PJ043120 NNMHFR C34H51N13O9S 817.3654 NA PeJP NA NA +PJ043121 NDEERR C30H51N13O14 817.3679 NA PeJP NA NA +PJ043122 TLQMYY C38H55N7O11S 817.368 NA PeJP NA NA +PJ043123 VDKMYY C38H55N7O11S 817.3681 NA PeJP NA NA +PJ043124 SPPCCRR C31H55N13O9S2 817.3687 NA PeJP NA NA +PJ043125 GSCKMHR C31H55N13O9S2 817.3688 NA PeJP NA NA +PJ043126 APCRWW C39H51N11O7S 817.3694 NA PeJP NA NA +PJ043127 GLLEEEE C34H55N7O16 817.3706 NA PeJP NA NA +PJ043128 PPTLEMM C35H59N7O11S2 817.3714 NA PeJP NA NA +PJ043129 AQEERW C35H51N11O12 817.3719 NA PeJP NA NA +PJ043130 PMMHFR C36H55N11O7S2 817.3728 NA PeJP NA NA +PJ043131 GPPHHHH C36H47N15O8 817.3733 NA PeJP NA NA +PJ043132 GPTQEMR C32H55N11O12S 817.3753 NA PeJP NA NA +PJ043133 GLQEWW C40H51N9O10 817.3759 NA PeJP NA NA +PJ043134 LMMMHR C33H59N11O7S3 817.3761 NA PeJP NA NA +PJ043135 TMHHHR C33H51N15O8S 817.3766 NA PeJP NA NA +PJ043136 GSNNDRR C29H51N15O13 817.3791 NA PeJP NA NA +PJ043137 PQKEMW C37H55N9O10S 817.3793 NA PeJP NA NA +PJ043138 GVFFYW C45H51N7O8 817.3799 NA PeJP NA NA +PJ043139 GGPFFFF C45H51N7O8 817.38 NA PeJP NA NA +PJ043140 GVQKEEE C33H55N9O15 817.3818 NA PeJP NA NA +PJ043141 SSLLMMH C34H59N9O10S2 817.3827 NA PeJP NA NA +PJ043142 GDERRW C34H51N13O11 817.3831 NA PeJP NA NA +PJ043143 GGGGGATRW C34H51N13O11 817.3832 NA PeJP NA NA +PJ043144 VQMFFF C42H55N7O8S 817.3833 NA PeJP NA NA +PJ043145 LLEEEW C38H55N7O13 817.3858 NA PeJP NA NA +PJ043146 GSPDMRR C31H55N13O11S 817.3865 NA PeJP NA NA +PJ043147 VKMMFY C39H59N7O8S2 817.3867 NA PeJP NA NA +PJ043148 SSPRWW C39H51N11O9 817.3871 NA PeJP NA NA +PJ043149 AAERWW C39H51N11O9 817.3872 NA PeJP NA NA +PJ043150 SPLLEEM C35H59N7O13S 817.3892 NA PeJP NA NA +PJ043151 PPVLMMM C36H63N7O8S3 817.3901 NA PeJP NA NA +PJ043152 PTQMRW C36H55N11O9S 817.3905 NA PeJP NA NA +PJ043153 LQWWW C44H51N9O7 817.3912 NA PeJP NA NA +PJ043154 QKEEER C32H55N11O14 817.393 NA PeJP NA NA +PJ043155 GGGGADKKE C32H55N11O14 817.3931 NA PeJP NA NA +PJ043156 GPVQMMR C33H59N11O9S2 817.3939 NA PeJP NA NA +PJ043157 GSPQHHR C33H51N15O10 817.3944 NA PeJP NA NA +PJ043158 APKMWW C41H55N9O7S 817.3946 NA PeJP NA NA +PJ043159 LNKEEW C37H55N9O12 817.397 NA PeJP NA NA +PJ043160 VQKEEW C37H55N9O12 817.3971 NA PeJP NA NA +PJ043161 NNQMRR C30H55N15O10S 817.3977 NA PeJP NA NA +PJ043162 GGGGQMRR C30H55N15O10S 817.3978 NA PeJP NA NA +PJ043163 DRRWW C38H51N13O8 817.3984 NA PeJP NA NA +PJ043164 GPKKEEM C34H59N9O12S 817.4004 NA PeJP NA NA +PJ043165 PTKFYY C42H55N7O10 817.4011 NA PeJP NA NA +PJ043166 PTCRRW C35H55N13O8S 817.4018 NA PeJP NA NA +PJ043167 GTTQQQR C31H55N13O13 817.4042 NA PeJP NA NA +PJ043168 TQEERR C31H55N13O13 817.4043 NA PeJP NA NA +PJ043169 TLKMYY C39H59N7O10S 817.4044 NA PeJP NA NA +PJ043170 PPVVEMF C39H59N7O10S 817.4045 NA PeJP NA NA +PJ043171 PQMMRR C32H59N13O8S2 817.4051 NA PeJP NA NA +PJ043172 SVLLEEE C35H59N7O15 817.4069 NA PeJP NA NA +PJ043173 VTLLDEE C35H59N7O15 817.407 NA PeJP NA NA +PJ043174 PVVLEMM C36H63N7O10S2 817.4078 NA PeJP NA NA +PJ043175 AKEERW C36H55N11O11 817.4083 NA PeJP NA NA +PJ043176 CNNRRR C29H55N17O9S 817.409 NA PeJP NA NA +PJ043177 SSPLQMR C33H59N11O11S 817.4116 NA PeJP NA NA +PJ043178 GPTKEMR C33H59N11O11S 817.4117 NA PeJP NA NA +PJ043179 GLKEWW C41H55N9O9 817.4123 NA PeJP NA NA +PJ043180 SDERRR C30H55N15O12 817.4155 NA PeJP NA NA +PJ043181 PKKEMW C38H59N9O9S 817.4157 NA PeJP NA NA +PJ043182 PCMRRR C31H59N15O7S2 817.4164 NA PeJP NA NA +PJ043183 GVKKEEE C34H59N9O14 817.4182 NA PeJP NA NA +PJ043184 APLQKMM C35H63N9O9S2 817.419 NA PeJP NA NA +PJ043185 SPPKKMM C35H63N9O9S2 817.4191 NA PeJP NA NA +PJ043186 ATERRW C35H55N13O10 817.4195 NA PeJP NA NA +PJ043187 VKMFFF C43H59N7O7S 817.4197 NA PeJP NA NA +PJ043188 SPPLLEY C39H59N7O12 817.4222 NA PeJP NA NA +PJ043189 VQEMRR C32H59N13O10S 817.4229 NA PeJP NA NA +PJ043190 GTLRWW C40H55N11O8 817.4235 NA PeJP NA NA +PJ043191 GGGKKWW C40H55N11O8 817.4236 NA PeJP NA NA +PJ043192 ALLLEEM C36H63N7O12S 817.4256 NA PeJP NA NA +PJ043193 PTKMRW C37H59N11O8S 817.4269 NA PeJP NA NA +MJ095376 Pralmorelin C45H55N9O6 817.42753 NA MeJP NA NA +PJ043194 LKWWW C45H55N9O6 817.4276 NA PeJP NA NA +PJ043195 KKEEER C33H59N11O13 817.4294 NA PeJP NA NA +PJ043196 GPVKMMR C34H63N11O8S2 817.4303 NA PeJP NA NA +PJ043197 GSPKHHR C34H55N15O9 817.4308 NA PeJP NA NA +PJ043198 VKKEEW C38H59N9O11 817.4334 NA PeJP NA NA +PJ043199 GGGAAPLLY C38H59N9O11 817.4335 NA PeJP NA NA +PJ043200 AEMRRR C31H59N15O9S 817.4341 NA PeJP NA NA +PJ043201 GPFRRW C39H55N13O7 817.4348 NA PeJP NA NA +PJ043202 SPVKKEM C35H63N9O11S 817.4368 NA PeJP NA NA +MJ095377 Heptamycin B; N-De-Ac, N-propanoyl C43H59N7O9 817.437426 NA MeJP NA NA +PJ043203 VVKFYY C43H59N7O9 817.4375 NA PeJP NA NA +PJ043204 AVMRRW C36H59N13O7S 817.4381 NA PeJP NA NA +PJ043205 GLMRRW C36H59N13O7S 817.4382 NA PeJP NA NA +PJ043206 ASSLERR C32H59N13O12 817.4406 NA PeJP NA NA +PJ043207 TKEERR C32H59N13O12 817.4407 NA PeJP NA NA +PJ043208 PPVVLMY C40H63N7O9S 817.4408 NA PeJP NA NA +PJ043209 PKMMRR C33H63N13O7S2 817.4415 NA PeJP NA NA +PJ043210 VNHHRR C33H55N17O8 817.442 NA PeJP NA NA +PJ043211 TTLLLEE C36H63N7O14 817.4433 NA PeJP NA NA +PJ043212 PTLLLMM C37H67N7O9S2 817.4442 NA PeJP NA NA +PJ043213 SLKERW C37H59N11O10 817.4447 NA PeJP NA NA +PJ043214 AALKEMR C34H63N11O10S 817.448 NA PeJP NA NA +PJ043215 GVVKEMR C34H63N11O10S 817.4481 NA PeJP NA NA +PJ043216 SVLKWW C42H59N9O8 817.4487 NA PeJP NA NA +PJ043217 TTERRR C31H59N15O11 817.4519 NA PeJP NA NA +PJ043218 LLQKMW C39H63N9O8S 817.4521 NA PeJP NA NA +PJ043219 GHHRRR C32H55N19O7 817.4532 NA PeJP NA NA +PJ043220 ATLKKEE C35H63N9O13 817.4546 NA PeJP NA NA +PJ043221 APLKKMM C36H67N9O8S2 817.4554 NA PeJP NA NA +PJ043222 STLRRW C36H59N13O9 817.4559 NA PeJP NA NA +PJ043223 APLLLEY C40H63N7O11 817.4586 NA PeJP NA NA +PJ043224 VKEMRR C33H63N13O9S 817.4593 NA PeJP NA NA +PJ043225 LLLHHW C41H59N11O7 817.4599 NA PeJP NA NA +PJ043226 SLLLLEM C37H67N7O11S 817.462 NA PeJP NA NA +PJ043227 VVKMRW C38H63N11O7S 817.4633 NA PeJP NA NA +PJ043228 ATTLKER C34H63N11O12 817.4658 NA PeJP NA NA +PJ043229 APRRRY C35H59N15O8 817.4671 NA PeJP NA NA +PJ043230 GTTLLKW C39H63N9O10 817.4698 NA PeJP NA NA +PJ043231 SLMRRR C32H63N15O8S 817.4705 NA PeJP NA NA +PJ043232 GLLKKEM C36H67N9O10S 817.4732 NA PeJP NA NA +PJ043233 PPVVLFF C44H63N7O8 817.4739 NA PeJP NA NA +PJ043234 SSSLLRR C33H63N13O11 817.477 NA PeJP NA NA +PJ043235 PVVLLMF C41H67N7O8S 817.4772 NA PeJP NA NA +PJ043236 PPHRRR C34H59N17O7 817.4784 NA PeJP NA NA +PJ043237 VVLLLMM C38H71N7O8S2 817.4806 NA PeJP NA NA +PJ043238 TQKKKW C38H63N11O9 817.4811 NA PeJP NA NA +PJ043239 GTLLKMR C35H67N11O9S 817.4844 NA PeJP NA NA +PJ043240 PLKKFW C43H63N9O7 817.4851 NA PeJP NA NA +PJ043241 GSSKKRR C32H63N15O10 817.4883 NA PeJP NA NA +PJ043242 LLKKMW C40H67N9O7S 817.4884 NA PeJP NA NA +PJ043243 STLLKKE C36H67N9O12 817.4909 NA PeJP NA NA +PJ043244 TTLLDKK C36H67N9O12 817.491 NA PeJP NA NA +PJ043245 PVKRRY C37H63N13O8 817.4923 NA PeJP NA NA +PJ043246 SPLLLLY C41H67N7O10 817.495 NA PeJP NA NA +PJ043247 QKKKMR C34H67N13O8S 817.4957 NA PeJP NA NA +MJ095378 Monensin; Monensin A, 26-O-[(2-Phenylethyl)carbamoyl] C45H71NO12 817.497626 NA MeJP NA NA +PJ043248 STTLLKR C35H67N11O11 817.5022 NA PeJP NA NA +PJ043249 ALFRRR C36H63N15O7 817.5035 NA PeJP NA NA +PJ043250 GPLLKKY C40H67N9O9 817.5062 NA PeJP NA NA +PJ043251 CKKKRR C33H67N15O7S 817.5069 NA PeJP NA NA +PJ043252 SVLLKKM C37H71N9O9S 817.5096 NA PeJP NA NA +PJ043253 GTTKKKR C34H67N13O10 817.5134 NA PeJP NA NA +PJ043254 TKKKKW C39H67N11O8 817.5174 NA PeJP NA NA +MJ095379 Antibiotic 29119 C42H75NO14 817.518756 NA MeJP NA NA +PJ043255 GVKKKKM C36H71N11O8S 817.5208 NA PeJP NA NA +PJ043256 VLKFRR C38H67N13O7 817.5287 NA PeJP NA NA +PJ043257 ALLLLLY C42H71N7O9 817.5314 NA PeJP NA NA +PJ043258 KKKKMR C35H71N13O7S 817.532 NA PeJP NA NA +PJ043259 SSLKKKK C36H71N11O10 817.5386 NA PeJP NA NA +PJ043260 GLLLKKF C41H71N9O8 817.5426 NA PeJP NA NA +HMDB09276 PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C47H80NO8P 817.562134 NA HMDB2010 NA NA +HMDB09307 PE(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C47H80NO8P 817.562134 NA HMDB2010 NA NA +HMDB09308 PE(20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C47H80NO8P 817.562134 NA HMDB2010 NA NA +HMDB09339 PE(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)) C47H80NO8P 817.562134 NA HMDB2010 NA NA +HMDB09372 PE(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) C47H80NO8P 817.562134 NA HMDB2010 NA NA +HMDB09470 PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)) C47H80NO8P 817.562134 NA HMDB2010 NA NA +HMDB09566 PE(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C47H80NO8P 817.562134 NA HMDB2010 NA NA +HMDB09595 PE(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)) C47H80NO8P 817.562134 NA HMDB2010 NA NA +HMDB09608 PE(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)) C47H80NO8P 817.562134 NA HMDB2010 NA NA +HMDB09627 PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z)) C47H80NO8P 817.562134 NA HMDB2010 NA NA +HMDB09660 PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) C47H80NO8P 817.562134 NA HMDB2010 NA NA +HMDB09692 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) C47H80NO8P 817.562134 NA HMDB2010 NA NA +EUR1021 PC 40:7 [M-H-CH3]- C48H82NO8P 817.562157 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1021 PC 40:7 [M-H-CH3]- C48H82NO8P 817.562157 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1021 PC 40:7 [M-H-CH3]- C48H82NO8P 817.562157 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1021 PC 40:7 [M-H-CH3]- C48H82NO8P 817.562157 masses lipides attendues Inhousejuil11 NA NA +EUR698 PC(34:2) [M-H+acetate]- C42H80NO8P 817.583257 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR948 PC 34:2 [M-H+acetate]- C42H80NO8P 817.583257 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR698 PC(34:2) [M-H+acetate]- C42H80NO8P 817.583257 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR948 PC 34:2 [M-H+acetate]- C42H80NO8P 817.583257 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR698 PC(34:2) [M-H+acetate]- C42H80NO8P 817.583257 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR948 PC 34:2 [M-H+acetate]- C42H80NO8P 817.583257 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR698 PC(34:2) [M-H+acetate]- C42H80NO8P 817.583257 masses lipides attendues Inhousejuil11 NA NA +EUR948 PC 34:2 [M-H+acetate]- C42H80NO8P 817.583257 masses lipides attendues Inhousejuil11 NA NA +HMDB08687 PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z)) C48H84NO7P 817.598511 NA HMDB2010 NA NA +HMDB08688 PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z)) C48H84NO7P 817.598511 NA HMDB2010 NA NA +HMDB08720 PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) C48H84NO7P 817.598511 NA HMDB2010 NA NA +HMDB08721 PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(9Z)) C48H84NO7P 817.598511 NA HMDB2010 NA NA +HMDB08752 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0) C48H84NO7P 817.598511 NA HMDB2010 NA NA +HMDB11262 PC(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H84NO7P 817.598511 NA HMDB2010 NA NA +HMDB11293 PC(P-18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C48H84NO7P 817.598511 NA HMDB2010 NA NA +HMDB11294 PC(P-18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C48H84NO7P 817.598511 NA HMDB2010 NA NA +HMDB11326 PC(P-18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C48H84NO7P 817.598511 NA HMDB2010 NA NA +HMDB11327 PC(P-18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C48H84NO7P 817.598511 NA HMDB2010 NA NA +HMDB07893 PC(14:0/24:0) C46H92NO8P 817.656067 NA HMDB2010 NA NA +HMDB07985 PC(16:0/22:0) C46H92NO8P 817.656067 NA HMDB2010 NA NA +HMDB08043 PC(18:0/20:0) C46H92NO8P 817.656067 NA HMDB2010 NA NA +HMDB08267 PC(20:0/18:0) C46H92NO8P 817.656067 NA HMDB2010 NA NA +HMDB08528 PC(22:0/16:0) C46H92NO8P 817.656067 NA HMDB2010 NA NA +HMDB08755 PC(24:0/14:0) C46H92NO8P 817.656067 NA HMDB2010 NA NA +MJ095380 2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-galactopyranoside C46H91NO10 817.664298 NA MeJP NA NA +MJ095381 2-Amino-1,3,4-octadecanetriol, N-(2R-Hydroxydocosanoyl), 1-O-?-D-glucopyranoside C46H91NO10 817.664298 NA MeJP NA NA +MJ095382 Acanthacerebroside A C46H91NO10 817.664298 NA MeJP NA NA +EUR646 L-Thyroxine [M+Na]+ NA 817.706575 10.19 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR646 L-Thyroxine [M+Na]+ NA 817.706575 10.19 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR646 L-Thyroxine [M+Na]+ NA 817.706575 10.19 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR646 L-Thyroxine [M+Na]+ NA 817.706575 10.19 Inhousejuil11 NA NA +MJ095383 Carpinin D; 2,3-Bis(3,4,5-trihydroxybenzoyl) C34H26O24 818.081401 NA MeJP NA NA +PJ043261 GCCCCCNN C25H42N10O11S5 818.1638 NA PeJP NA NA +PJ043262 GGGCCCCCN C25H42N10O11S5 818.1639 NA PeJP NA NA +PJ043263 GSCCCCDE C26H42N8O14S4 818.1704 NA PeJP NA NA +PJ043264 GPCCCCCM C27H46N8O9S6 818.1712 NA PeJP NA NA +PJ043265 SCCCCDW C30H42N8O11S4 818.1856 NA PeJP NA NA +PJ043266 SSSCCCDD C26H42N8O16S3 818.1881 NA PeJP NA NA +PJ043267 CCCNDMM C27H46N8O11S5 818.189 NA PeJP NA NA +PJ043268 CCCCCER C26H46N10O10S5 818.2002 NA PeJP NA NA +PJ043269 CCCNDDF C30H42N8O13S3 818.2034 NA PeJP NA NA +PJ043270 ACCCCMW C31H46N8O8S5 818.2042 NA PeJP NA NA +PJ043271 VCCCCCW C31H46N8O8S5 818.2043 NA PeJP NA NA +PJ043272 ASTCCCCE C27H46N8O13S4 818.2067 NA PeJP NA NA +PJ043273 GSSCCCEM C27H46N8O13S4 818.2068 NA PeJP NA NA +PJ043274 CCCCNHH C28H42N12O9S4 818.2081 NA PeJP NA NA +FL5FAHGL0005 Laricitrin 3,7,5'-triglucoside C34H42O23 818.21168 89345-42-6 knapsack NA NA +MJ095384 3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3,5',7-Tri-O-?-D-glucopyranoside C34H42O23 818.211687 NA MeJP NA NA +MJ095385 3,4',5,7-Tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan C45H38O15 818.22107 NA MeJP NA NA +MJ095386 4-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,7-dihydroxy-2H-1-benzopyran-4-yl]-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,9-triol; 3''''-Deoxy C45H38O15 818.22107 NA MeJP NA NA +MJ095387 4-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,7-dihydroxy-2H-1-benzopyran-4-yl]-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,9-triol; 3'''-Deoxy C45H38O15 818.22107 NA MeJP NA NA +MJ095388 Antibiotic PF 1158C C45H38O15 818.22107 NA MeJP NA NA +PJ043275 SCCNDDY C30H42N8O15S2 818.2211 NA PeJP NA NA +PJ043276 SSCCCMW C31H46N8O10S4 818.222 NA PeJP NA NA +PJ043277 SSSSCCDM C27H46N8O15S3 818.2245 NA PeJP NA NA +PJ043278 SCCNMMM C28H50N8O10S5 818.2254 NA PeJP NA NA +PJ043279 GPPCCCCH C30H46N10O9S4 818.2333 NA PeJP NA NA +PJ043280 TCCCCMR C27H50N10O9S5 818.2366 NA PeJP NA NA +PJ043281 GCCNEMY C31H46N8O12S3 818.2398 NA PeJP NA NA +PJ043282 GSSTCCMM C28H50N8O12S4 818.2431 NA PeJP NA NA +PJ043283 CCNNNDH C28H42N12O13S2 818.2436 NA PeJP NA NA +PJ043284 SCNDDEH C29H42N10O16S 818.2501 NA PeJP NA NA +PJ043285 GCCCDRY C30H46N10O11S3 818.251 NA PeJP NA NA +PJ043286 CCNMYW C35H46N8O9S3 818.255 NA PeJP NA NA +PJ043287 PNDDDDE C30H42N8O19 818.2567 NA PeJP NA NA +PJ043288 SSCNDMY C31H46N8O14S2 818.2575 NA PeJP NA NA +PJ043289 PCCCCKY C32H50N8O9S4 818.2584 NA PeJP NA NA +PJ043290 DDDEYY C35H42N6O17 818.2607 NA PeJP NA NA +PJ043291 SSSSSCMM C28H50N8O14S3 818.2609 NA PeJP NA NA +PJ043292 TCCCKMM C29H54N8O9S5 818.2618 NA PeJP NA NA +PJ043293 DEMMMY C33H50N6O12S3 818.2649 NA PeJP NA NA +PJ043294 GSCDDHW C33H42N10O13S 818.2654 NA PeJP NA NA +PJ043295 APCCCHW C34H46N10O8S3 818.2663 NA PeJP NA NA +PJ043296 GSSSDDDH C29H42N10O18 818.2679 NA PeJP NA NA +PJ043297 GNDDMMH C30H46N10O13S2 818.2688 NA PeJP NA NA +PJ043298 GCCCMFR C31H50N10O8S4 818.2696 NA PeJP NA NA +PJ043299 GPDDDDW C34H42N8O16 818.2719 NA PeJP NA NA +PJ043300 GSTCCYW C35H46N8O11S2 818.2728 NA PeJP NA NA +PJ043301 GSSSSCEY C31H46N8O16S 818.2753 NA PeJP NA NA +PJ043302 GSCQMMY C32H50N8O11S3 818.2761 NA PeJP NA NA +PJ043303 GGGTCMMY C32H50N8O11S3 818.2762 NA PeJP NA NA +PJ043304 NNNNNDD C28H42N12O17 818.2791 NA PeJP NA NA +PJ043305 GGGGGGGGNDD C28H42N12O17 818.2792 NA PeJP NA NA +PJ043306 DDEMFY C36H46N6O14S 818.2793 NA PeJP NA NA +PJ043307 GCCDEHR C29H46N12O12S2 818.28 NA PeJP NA NA +PJ043308 GNDDDHF C33H42N10O15 818.2832 NA PeJP NA NA +PJ043309 EMMMMF C34H54N6O9S4 818.2835 NA PeJP NA NA +PJ043310 CNEMHW C34H46N10O10S2 818.284 NA PeJP NA NA +PJ043311 SSNDEMH C30H46N10O15S 818.2865 NA PeJP NA NA +PJ043312 GSCCMRY C31H50N10O10S3 818.2874 NA PeJP NA NA +PJ043313 GCNDHHH C31H42N14O11S 818.2879 NA PeJP NA NA +PJ043314 CCNFFW C39H46N8O8S2 818.288 NA PeJP NA NA +PJ043315 SSSSCYW C35H46N8O13S 818.2905 NA PeJP NA NA +PJ043316 SSSSSSDY C31H46N8O18 818.293 NA PeJP NA NA +PJ043317 GGSPDEEE C31H46N8O18 818.2931 NA PeJP NA NA +PJ043318 SSSNMMY C32H50N8O13S2 818.2939 NA PeJP NA NA +PJ043319 GCCKMMF C33H54N8O8S4 818.2948 NA PeJP NA NA +PJ043320 CCDHRW C33H46N12O9S2 818.2953 NA PeJP NA NA +PJ043321 SEEEYY C36H46N6O16 818.2971 NA PeJP NA NA +PJ043322 SSCDDHR C29H46N12O14S 818.2977 NA PeJP NA NA +PJ043323 GGGSSTCNH C29H46N12O14S 818.2978 NA PeJP NA NA +PJ043324 PDMMYY C37H50N6O11S2 818.2979 NA PeJP NA NA +PJ043325 PTCCCHR C30H50N12O9S3 818.2986 NA PeJP NA NA +PJ043326 GCMHWW C38H46N10O7S2 818.2993 NA PeJP NA NA +C12386 Premithramycin A3' C40H50O18 818.2997 NA KEGG NA NA +PJ043327 GSSDMHW C34H46N10O12S 818.3018 NA PeJP NA NA +PJ043328 SPDDDDR C30H46N10O17 818.3043 NA PeJP NA NA +PJ043329 SSTCCRY C31H50N10O12S2 818.3051 NA PeJP NA NA +PJ043330 GGGTEMMH C31H50N10O12S2 818.3052 NA PeJP NA NA +PJ043331 GCQYYW C39H46N8O10S 818.3058 NA PeJP NA NA +PJ043332 GSPDEEW C35H46N8O15 818.3083 NA PeJP NA NA +PJ043333 GPPCEMW C36H50N8O10S2 818.3092 NA PeJP NA NA +PJ043334 GSSSSTMY C32H50N8O15S 818.3117 NA PeJP NA NA +PJ043335 PDDFYY C40H46N6O13 818.3123 NA PeJP NA NA +PJ043336 GSCKMMY C33H54N8O10S3 818.3125 NA PeJP NA NA +PJ043337 GCNNQHF C33H46N12O11S 818.313 NA PeJP NA NA +PJ043338 GNNDDER C29H46N12O16 818.3155 NA PeJP NA NA +PJ043339 VDEMYY C37H50N6O13S 818.3157 NA PeJP NA NA +PJ043340 GSCEMHR C30H50N12O11S2 818.3164 NA PeJP NA NA +PJ043341 PMMMFY C38H54N6O8S3 818.3166 NA PeJP NA NA +PJ043342 STCHWW C38H46N10O9S 818.317 NA PeJP NA NA +PJ043343 SSSSEHW C34H46N10O14 818.3195 NA PeJP NA NA +PJ043344 GGGGGAEEW C34H46N10O14 818.3196 NA PeJP NA NA +PJ043345 LMMMMY C35H58N6O8S4 818.3199 NA PeJP NA NA +PJ043346 SQMMHW C35H50N10O9S2 818.3204 NA PeJP NA NA +MJ095389 Cephabacin H; Cephabacin H4, N27-(L-Alanyl-L-seryl) C31H50N10O14S 818.322867 NA MeJP NA NA +PJ043347 GPDDEMR C31H50N10O14S 818.3229 NA PeJP NA NA +PJ043348 SSNYYW C39H46N8O12 818.3235 NA PeJP NA NA +PJ043349 SPDEWW C39H46N8O12 818.3236 NA PeJP NA NA +PJ043350 AAQMMMH C32H54N10O9S3 818.3238 NA PeJP NA NA +PJ043351 GSNMHHH C32H46N14O10S 818.3242 NA PeJP NA NA +PJ043352 GGGSMHHH C32H46N14O10S 818.3243 NA PeJP NA NA +PJ043353 PPCMWW C40H50N8O7S2 818.3244 NA PeJP NA NA +PJ043354 PQEEMW C36H50N8O12S 818.3269 NA PeJP NA NA +PJ043355 SSSSSTTY C32H50N8O17 818.3294 NA PeJP NA NA +PJ043356 SSTCKMY C33H54N8O12S2 818.3303 NA PeJP NA NA +PJ043357 NNDDRW C33H46N12O13 818.3308 NA PeJP NA NA +PJ043358 PDMFFY C41H50N6O10S 818.3309 NA PeJP NA NA +PJ043359 SCMHRW C34H50N12O8S2 818.3316 NA PeJP NA NA +PJ043360 DHHHHH C34H42N16O9 818.3321 NA PeJP NA NA +MJ095390 Antibiotic A 201C C37H50N6O15 818.333414 NA MeJP NA NA +PJ043361 SSSDMHR C30H50N12O13S 818.3341 NA PeJP NA NA +PJ043362 GGGGSPCER C30H50N12O13S 818.3342 NA PeJP NA NA +PJ043363 VEMMFY C38H54N6O10S2 818.3343 NA PeJP NA NA +PJ043364 GNQEWW C38H46N10O11 818.3348 NA PeJP NA NA +PJ043365 NMMMHR C31H54N12O8S3 818.335 NA PeJP NA NA +PJ043366 GSTTMHW C35H50N10O11S 818.3381 NA PeJP NA NA +PJ043367 PDDMRW C35H50N10O11S 818.3382 NA PeJP NA NA +PJ043368 ASSSTTEH C31H50N10O16 818.3406 NA PeJP NA NA +PJ043369 QEEEER C31H50N10O16 818.3407 NA PeJP NA NA +PJ043370 SPPCEMR C32H54N10O11S2 818.3415 NA PeJP NA NA +PJ043371 GGGGGGPVMM C32H54N10O11S2 818.3416 NA PeJP NA NA +PJ043372 SSSQHHH C32H46N14O12 818.342 NA PeJP NA NA +PJ043373 APEMWW C40H50N8O9S 818.3422 NA PeJP NA NA +PJ043374 VQEEEW C36H50N8O14 818.3447 NA PeJP NA NA +PJ043375 GNNNNMR C29H50N14O12S 818.3454 NA PeJP NA NA +PJ043376 ASPPMMW C37H54N8O9S2 818.3455 NA PeJP NA NA +PJ043377 GPPTMMW C37H54N8O9S2 818.3456 NA PeJP NA NA +PJ043378 PNEHHW C37H46N12O10 818.346 NA PeJP NA NA +MJ095391 Requinomycin C40H54N2O16 818.347333 NA MeJP NA NA +PJ043379 SPVQEEM C33H54N8O14S 818.348 NA PeJP NA NA +PJ043380 GPKEEEM C33H54N8O14S 818.3481 NA PeJP NA NA +PJ043381 PVDYYY C41H50N6O12 818.3487 NA PeJP NA NA +PJ043382 PPVNMMM C34H58N8O9S3 818.3489 NA PeJP NA NA +PJ043383 GSPCNRW C34H50N12O10S 818.3494 NA PeJP NA NA +PJ043384 PMMFFF C42H54N6O7S2 818.3496 NA PeJP NA NA +PJ043385 NQWWW C42H46N10O8 818.35 NA PeJP NA NA +PJ043386 GGGAWWW C42H46N10O8 818.3501 NA PeJP NA NA +PJ043387 DDEERR C30H50N12O15 818.3519 NA PeJP NA NA +PJ043388 TLEMYY C38H54N6O12S 818.3521 NA PeJP NA NA +PJ043389 GSTMMHR C31H54N12O10S2 818.3528 NA PeJP NA NA +PJ043390 LMMMFF C39H58N6O7S3 818.3529 NA PeJP NA NA +PJ043391 AQMHFW C39H50N10O8S 818.3534 NA PeJP NA NA +PJ043392 AEEERW C35H50N10O13 818.3559 NA PeJP NA NA +PJ043393 SKMMHW C36H54N10O8S2 818.3568 NA PeJP NA NA +PJ043394 NQHHHF C36H46N14O9 818.3573 NA PeJP NA NA +PJ043395 GPTEEMR C32H54N10O13S 818.3593 NA PeJP NA NA +PJ043396 GLEEWW C40H50N8O11 818.3599 NA PeJP NA NA +PJ043397 GPPMMMR C33H58N10O8S3 818.3602 NA PeJP NA NA +PJ043398 GTCKHHH C33H50N14O9S 818.3606 NA PeJP NA NA +PJ043399 GPHHWW C41H46N12O7 818.3613 NA PeJP NA NA +PJ043400 GSNDDRR C29H50N14O14 818.3631 NA PeJP NA NA +PJ043401 GGGGGGGGSTR C29H50N14O14 818.3632 NA PeJP NA NA +PJ043402 PKEEMW C37H54N8O11S 818.3633 NA PeJP NA NA +PJ043403 GPCCQRR C30H54N14O9S2 818.364 NA PeJP NA NA +PJ043404 ACHFRW C38H50N12O7S 818.3647 NA PeJP NA NA +PJ043405 GVKEEEE C33H54N8O16 818.3658 NA PeJP NA NA +PJ043406 SPPKEMM C34H58N8O11S2 818.3667 NA PeJP NA NA +PJ043407 SNQERW C34H50N12O12 818.3671 NA PeJP NA NA +PJ043408 GGSQERW C34H50N12O12 818.3672 NA PeJP NA NA +PJ043409 PVMFYY C42H54N6O9S 818.3673 NA PeJP NA NA +PJ043410 SSTTMHR C31H54N12O12S 818.3705 NA PeJP NA NA +PJ043411 GGGGGGGAAKM C31H54N12O12S 818.3706 NA PeJP NA NA +PJ043412 VLMMYY C39H58N6O9S2 818.3707 NA PeJP NA NA +PJ043413 GNKEWW C39H50N10O10 818.3712 NA PeJP NA NA +PJ043414 PTEMRW C36H54N10O10S 818.3745 NA PeJP NA NA +PJ043415 GGGSPKMW C36H54N10O10S 818.3746 NA PeJP NA NA +PJ043416 LEWWW C44H50N8O8 818.3752 NA PeJP NA NA +MJ095392 22,23-Epoxyergost-9(11)-ene-3,6-diol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucuronopyranoside], 6-sulfate C39H62O16S 818.375856 NA MeJP NA NA +PJ043417 KEEEER C32H54N10O15 818.377 NA PeJP NA NA +PJ043418 GGGDKKEE C32H54N10O15 818.3771 NA PeJP NA NA +PJ043419 GPVEMMR C33H58N10O10S2 818.3779 NA PeJP NA NA +PJ043420 GSPEHHR C33H50N14O11 818.3784 NA PeJP NA NA +PJ043421 SPLMWW C41H54N8O8S 818.3786 NA PeJP NA NA +PJ043422 ASSTKYY C37H54N8O13 818.381 NA PeJP NA NA +PJ043423 VKEEEW C37H54N8O13 818.3811 NA PeJP NA NA +PJ043424 ACNNNKR C30H54N14O11S 818.3817 NA PeJP NA NA +PJ043425 NNEMRR C30H54N14O11S 818.3818 NA PeJP NA NA +PJ043426 AAPLMMW C38H58N8O8S2 818.3819 NA PeJP NA NA +PJ043427 GSQRWW C38H50N12O9 818.3824 NA PeJP NA NA +PJ043428 SPVKEEM C34H58N8O13S 818.3844 NA PeJP NA NA +PJ043429 GGALLEEM C34H58N8O13S 818.3845 NA PeJP NA NA +PJ043430 PTLYYY C42H54N6O11 818.3851 NA PeJP NA NA +PJ043431 PPCLKMM C35H62N8O8S3 818.3853 NA PeJP NA NA +PJ043432 AQQMRW C35H54N12O9S 818.3858 NA PeJP NA NA +PJ043433 NKWWW C43H50N10O7 818.3864 NA PeJP NA NA +PJ043434 TEEERR C31H54N12O14 818.3883 NA PeJP NA NA +PJ043435 APCNKMR C32H58N12O9S2 818.3891 NA PeJP NA NA +PJ043436 PEMMRR C32H58N12O9S2 818.3892 NA PeJP NA NA +PJ043437 NQQHHR C32H50N16O10 818.3896 NA PeJP NA NA +PJ043438 AKMHFW C40H54N10O7S 818.3898 NA PeJP NA NA +PJ043439 SLEERW C36H54N10O12 818.3923 NA PeJP NA NA +PJ043440 CNDRRR C29H54N16O10S 818.393 NA PeJP NA NA +PJ043441 PVMMRW C37H58N10O7S2 818.3932 NA PeJP NA NA +PJ043442 SPHHRW C37H50N14O8 818.3936 NA PeJP NA NA +MJ095393 Isohumbertiol, 9,10-Didehydro, O-[?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C39H62O18 818.393615 NA MeJP NA NA +PJ043443 GGKHHHF C37H50N14O8 818.3937 NA PeJP NA NA +PJ043444 AALEEMR C33H58N10O12S 818.3957 NA PeJP NA NA +PJ043445 SVLEWW C41H54N8O10 818.3963 NA PeJP NA NA +PJ043446 GNMRRW C34H54N14O8S 818.397 NA PeJP NA NA +PJ043447 GSSQERR C30H54N14O13 818.3995 NA PeJP NA NA +PJ043448 LLQEMW C38H58N8O10S 818.3997 NA PeJP NA NA +PJ043449 PVFFFY C46H54N6O8 818.4003 NA PeJP NA NA +PJ043450 GPCCKRR C31H58N14O8S2 818.4004 NA PeJP NA NA +PJ043451 ATLKEEE C34H58N8O15 818.4022 NA PeJP NA NA +PJ043452 APLKEMM C35H62N8O10S2 818.4031 NA PeJP NA NA +PJ043453 SNKERW C35H54N12O11 818.4035 NA PeJP NA NA +PJ043454 GGGGGPVRY C35H54N12O11 818.4036 NA PeJP NA NA +PJ043455 VLMFFY C43H58N6O8S 818.4037 NA PeJP NA NA +PJ043456 VEEMRR C32H58N12O11S 818.4069 NA PeJP NA NA +PJ043457 ATQKWW C40H54N10O9 818.4075 NA PeJP NA NA +PJ043458 GDKKWW C40H54N10O9 818.4076 NA PeJP NA NA +MJ095394 2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, 3-O-(3,4,5-Trihydroxybenzoyl), ?-D-glucopyranosyl ester C43H62O15 818.408871 NA MeJP NA NA +MJ095395 2,3,6,23-Tetrahydroxy-20(29)-lupen-28-oic acid, 23-(3,4,5-Trihydroxybenzoyl), 28-O-?-D-glucopyranosyl ester C43H62O15 818.408871 NA MeJP NA NA +PJ043459 VVEMRW C37H58N10O9S 818.4109 NA PeJP NA NA +PJ043460 APLFWW C45H54N8O7 818.4116 NA PeJP NA NA +PJ043461 ATTLEER C33H58N10O14 818.4134 NA PeJP NA NA +PJ043462 APTLMMR C34H62N10O9S2 818.4143 NA PeJP NA NA +PJ043463 SSQRRW C34H54N14O10 818.4148 NA PeJP NA NA +PJ043464 ALLMWW C42H58N8O7S 818.415 NA PeJP NA NA +MJ095396 N-Deacyltunicamycin; 5,6-Dihydro, N4''-(12-methyl-2-tridecenoyl) C37H62N4O16 818.416081 NA MeJP NA NA +PJ043465 GTTLLEW C38H58N8O12 818.4174 NA PeJP NA NA +PJ043466 GPLLQEY C38H58N8O12 818.4175 NA PeJP NA NA +PJ043467 NDKMRR C31H58N14O10S 818.4181 NA PeJP NA NA +PJ043468 GGDKMRR C31H58N14O10S 818.4182 NA PeJP NA NA +PJ043469 GSKRWW C39H54N12O8 818.4188 NA PeJP NA NA +PJ043470 GLLKEEM C35H62N8O12S 818.4208 NA PeJP NA NA +PJ043471 VVLYYY C43H58N6O10 818.4215 NA PeJP NA NA +PJ043472 AQKMRW C36H58N12O8S 818.4222 NA PeJP NA NA +PJ043473 SSTLQQR C32H58N12O13 818.4246 NA PeJP NA NA +PJ043474 GSDKKER C32H58N12O13 818.4247 NA PeJP NA NA +8270 f(139-146) of bovine kappa casein VESTVATL 818.425 Proteotypic phospho-amino acids ;SYN:3-O-Phosphoserine; Dexfosfoserine; Fosforina; L-3-Phosphoserine; L-O-Phosphoserine; L-O-Serine phosphate; L-Phosphoserine; L-Serine dihydrogen phosphate (ester); L-Serine phosphate; L-Serinephosphorate; L-Serinephosphoric acid; L-Seryl phosphateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ043475 GPCKKMR C33H62N12O8S2 818.4255 NA PeJP NA NA +PJ043476 VDHHRR C33H54N16O9 818.426 NA PeJP NA NA +MJ095397 Aplasmomycin; 9-Ac C42H62BO15(-) 818.426001 NA MeJP NA NA +PJ043477 TQKKEW C37H58N10O11 818.4287 NA PeJP NA NA +PJ043478 SNMRRR C30H58N16O9S 818.4294 NA PeJP NA NA +MJ095398 Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside], 20-O-?-D-glucopyranoside C40H66O17 818.43 NA MeJP NA NA +MJ095399 Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] C40H66O17 818.43 NA MeJP NA NA +MJ095400 Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-digitalopyranoside], 20-O-?-D-glucopyranoside C40H66O17 818.43 NA MeJP NA NA +MJ095401 Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] C40H66O17 818.43 NA MeJP NA NA +PJ043479 ALHHRW C38H54N14O7 818.43 NA PeJP NA NA +PJ043480 PTTTLMR C34H62N10O11S 818.432 NA PeJP NA NA +PJ043481 GTLLEMR C34H62N10O11S 818.4321 NA PeJP NA NA +PJ043482 TTLLWW C42H58N8O9 818.4327 NA PeJP NA NA +PJ043483 ACKRRW C35H58N14O7S 818.4334 NA PeJP NA NA +PJ043484 GSSKERR C31H58N14O12 818.4359 NA PeJP NA NA +PJ043485 LLKEMW C39H62N8O9S 818.4361 NA PeJP NA NA +PJ043486 VLFFFF C47H58N6O7 818.4367 NA PeJP NA NA +PJ043487 STLLKEE C35H62N8O14 818.4386 NA PeJP NA NA +PJ043488 SPLLKMM C36H66N8O9S2 818.4394 NA PeJP NA NA +PJ043489 PVTLKMM C36H66N8O9S2 818.4395 NA PeJP NA NA +PJ043490 SDKKRW C36H58N12O10 818.4399 NA PeJP NA NA +PJ043491 QKKEMR C33H62N12O10S 818.4433 NA PeJP NA NA +PJ043492 ATKKWW C41H58N10O8 818.4439 NA PeJP NA NA +PJ043493 GGPKKFW C41H58N10O8 818.444 NA PeJP NA NA +MJ095402 Cryptoporic acid G; 15-Deoxy C44H66O14 818.445256 NA MeJP NA NA +MJ095403 Noboritomycin B C44H66O14 818.445256 NA MeJP NA NA +PJ043494 GSSTRRR C30H58N16O11 818.4471 NA PeJP NA NA +PJ043495 TLLMRW C38H62N10O8S 818.4473 NA PeJP NA NA +PJ043496 STTLLER C34H62N10O13 818.4498 NA PeJP NA NA +PJ043497 GVLLMMR C35H66N10O8S2 818.4507 NA PeJP NA NA +PJ043498 SSKRRW C35H58N14O9 818.4512 NA PeJP NA NA +PJ043499 SSTLLLW C39H62N8O11 818.4538 NA PeJP NA NA +PJ043500 GGALLLEF C39H62N8O11 818.4539 NA PeJP NA NA +PJ043501 TQKMRR C32H62N14O9S 818.4545 NA PeJP NA NA +PJ043502 VLKHHW C40H58N12O7 818.4552 NA PeJP NA NA +PJ043503 SVLLKEM C36H66N8O11S 818.4572 NA PeJP NA NA +PJ043504 AKKMRW C37H62N12O7S 818.4585 NA PeJP NA NA +PJ043505 VCKKRW C37H62N12O7S 818.4586 NA PeJP NA NA +PJ043506 GTTKKER C33H62N12O12 818.461 NA PeJP NA NA +PJ043507 GGSTTLKR C33H62N12O12 818.4611 NA PeJP NA NA +PJ043508 LLMMRR C34H66N12O7S2 818.4619 NA PeJP NA NA +PJ043509 GQFRRR C34H58N16O8 818.4624 NA PeJP NA NA +PJ043510 TKKKEW C38H62N10O10 818.4651 NA PeJP NA NA +PJ043511 TCKRRR C31H62N16O8S 818.4658 NA PeJP NA NA +PJ043512 SSLLLMR C35H66N10O10S 818.4684 NA PeJP NA NA +PJ043513 GLDKKKM C35H66N10O10S 818.4685 NA PeJP NA NA +PJ043514 PLLKYW C43H62N8O8 818.4691 NA PeJP NA NA +PJ043515 GTTTKRR C32H62N14O11 818.4723 NA PeJP NA NA +PJ043516 APLLKMF C40H66N8O8S 818.4725 NA PeJP NA NA +PJ043517 SSSSLLLL C36H66N8O13 818.475 NA PeJP NA NA +PJ043518 ALLLKMM C37H70N8O8S2 818.4758 NA PeJP NA NA +PJ043519 TTKKRW C37H62N12O9 818.4763 NA PeJP NA NA +PJ043520 KKKEMR C34H66N12O9S 818.4797 NA PeJP NA NA +PJ043521 VVLFRW C42H62N10O7 818.4803 NA PeJP NA NA +MJ095404 Okadaic acid; 35(R)-Methyl C45H70O13 818.481642 NA MeJP NA NA +PJ043522 VKKKMW C39H66N10O7S 818.4837 NA PeJP NA NA +PJ043523 SSLKKKE C35H66N10O12 818.4862 NA PeJP NA NA +3366 ACE inhibitor FQKVVAK 818.487 celiac toxic Inhouse_peptide NA peptide +PJ043524 VNKFRR C36H62N14O8 818.4875 NA PeJP NA NA +PJ043525 GGVKFRR C36H62N14O8 818.4876 NA PeJP NA NA +28 Hemoglobin FQKVVAK 818.49 celiac toxic Inhouse_peptide NA peptide +MJ095405 Enterococcus faecalis Sex pheromone cAD1 C40H66N8O10 818.49019 NA MeJP NA NA +PJ043526 SPVLLKY C40H66N8O10 818.4902 NA PeJP NA NA +PJ043527 TKKMRR C33H66N14O8S 818.4909 NA PeJP NA NA +PJ043528 TTLLLKM C37H70N8O10S 818.4936 NA PeJP NA NA +PJ043529 SSTLKKR C34H66N12O11 818.4974 NA PeJP NA NA +PJ043530 GKFRRR C35H62N16O7 818.4988 NA PeJP NA NA +PJ043531 AALLLRY C39H66N10O9 818.5015 NA PeJP NA NA +MJ095406 5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 13-O-(6-O-Acetyl-?-D-mannopyranoside), D-arabinitol-1-yl ester C42H74O15 818.502771 NA MeJP NA NA +MJ095407 Roselipin 1A; 2',4'-Diepimer, 6''-Ac C42H74O15 818.502771 NA MeJP NA NA +MJ095408 Roselipin 1A; 6''-Ac C42H74O15 818.502771 NA MeJP NA NA +PJ043532 ATLKKKM C36H70N10O9S 818.5048 NA PeJP NA NA +PJ043533 LLLKFW C44H66N8O7 818.5055 NA PeJP NA NA +HMDB10659 PG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H75O10P 818.509766 NA HMDB2010 NA NA +HMDB10672 PG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C46H75O10P 818.509766 NA HMDB2010 NA NA +HMDB10673 PG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C46H75O10P 818.509766 NA HMDB2010 NA NA +HMDB10687 PG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C46H75O10P 818.509766 NA HMDB2010 NA NA +HMDB10688 PG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C46H75O10P 818.509766 NA HMDB2010 NA NA +PJ043534 VLLRRY C38H66N12O8 818.5127 NA PeJP NA NA +PJ043535 GCKKKKK C35H70N12O8S 818.5161 NA PeJP NA NA +MJ095409 44-Homooligomycin A; 28-Oxo C46H74O12 818.518027 NA MeJP NA NA +PJ043536 TTTLKKK C36H70N10O11 818.5226 NA PeJP NA NA +PJ043537 GLLLLKY C41H70N8O9 818.5266 NA PeJP NA NA +PJ043538 GVLKKKF C40H70N10O8 818.5378 NA PeJP NA NA +PJ043539 LKKKFR C39H70N12O7 818.5491 NA PeJP NA NA +C16148 Staphyloxanthin C51H78O8 818.5697 NA KEGG NA NA +C04218 alpha,alpha'-Trehalose 6-mycolate C44H82O13 818.5755 NA KEGG NA NA +MJ095410 ?,?-Trehalose; 6,6'-Dihexadecanoyl C44H82O13 818.575542 NA MeJP NA NA +MJ095411 Huratoxin; 5-Deoxy, 6,7-deepoxy, 6,7-didehydro, 20-octadecanoyl C52H82O7 818.606054 NA MeJP NA NA +EUR1093 SM(d18:1/20:0) [M-H+acetate]- C43H87N2O6P 818.651276 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1093 SM(d18:1/20:0) [M-H+acetate]- C43H87N2O6P 818.651276 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1093 SM(d18:1/20:0) [M-H+acetate]- C43H87N2O6P 818.651276 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1093 SM(d18:1/20:0) [M-H+acetate]- C43H87N2O6P 818.651276 masses lipides attendues Inhousejuil11 NA NA +MJ095412 2-Decaprenyl-6-methoxy-1,4-benzoquinone C57H86O3 818.657696 NA MeJP NA NA +HMDB06251 3-Decaprenyl-4-hydroxybenzoate C57H86O3 818.65771 http://www.hmdb.ca/metabolites/HMDB06251 HMDB NA NA +HMDB06251 3-Decaprenyl-4-hydroxybenzoate C57H86O3 818.65771 HMDB06251 PFEM_hmdb_metabocards_official NA NA +HMDB06251 3-Decaprenyl-4-hydroxybenzoic acid C57H86O3 818.657715 NA HMDB2010 NA NA +MJ095413 Etiroxate C18H17I4NO4 818.733631 NA MeJP NA NA +HMDB11705 TG(15:0/18:1(9Z)/16:0)[iso6] C52H98O6 818.736328 NA HMDB2010 NA NA +HMDB11712 TG(15:0/20:0/14:1(9Z))[iso6] C52H98O6 818.736328 NA HMDB2010 NA NA +HMDB11713 TG(15:0/20:1(11Z)/14:0)[iso6] C52H98O6 818.736328 NA HMDB2010 NA NA +MJ095414 20(29)-Lupen-3-ol, Heptacosanoyl C57H102O2 818.787982 NA MeJP NA NA +MJ095415 Euphorbol; O-Hexacosanoyl C57H102O2 818.787982 NA MeJP NA NA +PJ043540 GCCCCCND C25H41N9O12S5 819.1479 NA PeJP NA NA +PJ043541 CCCDDMM C27H45N7O12S5 819.173 NA PeJP NA NA +PJ043542 GSCCCCNM C26H45N9O11S5 819.1842 NA PeJP NA NA +PJ043543 GGGSCCCCM C26H45N9O11S5 819.1843 NA PeJP NA NA +PJ043544 CCCDDDF C30H41N7O14S3 819.1874 NA PeJP NA NA +MJ095416 L-erythro-3-Methylmalyl-CoA C26H43N7O17P2S 819.191136 NA MeJP NA NA +PJ043545 CCCCDHH C28H41N11O10S4 819.1921 NA PeJP NA NA +PJ043546 SSSCCCCQ C26H45N9O13S4 819.202 NA PeJP NA NA +PJ043547 SCCDDDY C30H41N7O16S2 819.2051 NA PeJP NA NA +PJ043548 PCCCCEY C31H45N7O11S4 819.206 NA PeJP NA NA +PJ043549 SCCDMMM C28H49N7O11S5 819.2094 NA PeJP NA NA +PJ043550 CCCCNQF C30H45N9O10S4 819.2173 NA PeJP NA NA +PJ043551 GSSSSSCCC C26H45N9O15S3 819.2198 NA PeJP NA NA +PJ043552 GTCCCCCK C27H49N9O10S5 819.2206 NA PeJP NA NA +PJ043553 GCCDEMY C31H45N7O13S3 819.2238 NA PeJP NA NA +PJ043554 CCNNDDH C28H41N11O14S2 819.2276 NA PeJP NA NA +PJ043555 ACCMMMM C29H53N7O8S6 819.228 NA PeJP NA NA +PJ043556 SCCCMHH C29H45N11O9S4 819.2285 NA PeJP NA NA +PJ043557 SCDDDEH C29H41N9O17S 819.2341 NA PeJP NA NA +PJ043558 TCDDDDH C29H41N9O17S 819.2342 NA PeJP NA NA +PJ043559 SCCCNQY C30H45N9O12S3 819.235 NA PeJP NA NA +PJ043560 SSSCCCCK C27H49N9O12S4 819.2384 NA PeJP NA NA +PJ043561 CCDMYW C35H45N7O10S3 819.239 NA PeJP NA NA +PJ043562 PDDDDDE C30H41N7O20 819.2407 NA PeJP NA NA +PJ043563 SSCDDMY C31H45N7O15S2 819.2415 NA PeJP NA NA +PJ043564 PTCCCMY C32H49N7O10S4 819.2424 NA PeJP NA NA +PJ043565 SSCMMMM C29H53N7O10S5 819.2458 NA PeJP NA NA +PJ043566 GSPCCCNH C29H45N11O11S3 819.2463 NA PeJP NA NA +PJ043567 GSSSCCNY C30H45N9O14S2 819.2528 NA PeJP NA NA +PJ043568 CCCCNKF C31H49N9O9S4 819.2536 NA PeJP NA NA +PJ043569 GGCCCCKF C31H49N9O9S4 819.2537 NA PeJP NA NA +PJ043570 GPCCDYY C35H45N7O12S2 819.2568 NA PeJP NA NA +PJ043571 CCMMFW C36H49N7O7S4 819.2577 NA PeJP NA NA +PJ043572 GSCEMMY C32H49N7O12S3 819.2602 NA PeJP NA NA +PJ043573 ACCCHHF C33H45N11O8S3 819.2615 NA PeJP NA NA +PJ043574 NNNNDDD C28H41N11O18 819.2631 NA PeJP NA NA +PJ043575 GGGGNNDDD C28H41N11O18 819.2632 NA PeJP NA NA +PJ043576 SCNNDMH C29H45N11O13S2 819.264 NA PeJP NA NA +PJ043577 GDDDDHF C33H41N9O16 819.2672 NA PeJP NA NA +PJ043578 CDEMHW C34H45N9O11S2 819.268 NA PeJP NA NA +PJ043579 SSDDEMH C30H45N9O16S 819.2705 NA PeJP NA NA +PJ043580 GGGGPDDDM C30H45N9O16S 819.2706 NA PeJP NA NA +PJ043581 SCCCNKY C31H49N9O11S3 819.2714 NA PeJP NA NA +PJ043582 GCDDHHH C31H41N13O12S 819.2719 NA PeJP NA NA +PJ043583 CCDFFW C39H45N7O9S2 819.2721 NA PeJP NA NA +PJ043584 NDDMYY C35H45N7O14S 819.2745 NA PeJP NA NA +PJ043585 GGDDMYY C35H45N7O14S 819.2746 NA PeJP NA NA +PJ043586 SCMMYW C36H49N7O9S3 819.2754 NA PeJP NA NA +PJ043587 SPDDEEE C31H45N7O19 819.2771 NA PeJP NA NA +PJ043588 SSSDMMY C32H49N7O14S2 819.2779 NA PeJP NA NA +PJ043589 NMMMMY C33H53N7O9S4 819.2788 NA PeJP NA NA +PJ043590 GSCCQHW C33H45N11O10S2 819.2793 NA PeJP NA NA +PJ043591 GSSSCNEH C29H45N11O15S 819.2818 NA PeJP NA NA +PJ043592 GCNQMMH C30H49N11O10S3 819.2826 NA PeJP NA NA +PJ043593 GGGGACMMH C30H49N11O10S3 819.2827 NA PeJP NA NA +PJ043594 GPCNDEW C34H45N9O13S 819.2858 NA PeJP NA NA +PJ043595 GNNEEEE C30H45N9O18 819.2883 NA PeJP NA NA +PJ043596 GSEEMMH C31H49N9O13S2 819.2892 NA PeJP NA NA +PJ043597 GCEYYW C39H45N7O11S 819.2898 NA PeJP NA NA +PJ043598 APCMMMH C32H53N9O8S4 819.29 NA PeJP NA NA +PJ043599 SPCCHHH C32H45N13O9S2 819.2905 NA PeJP NA NA +PJ043600 GSSDEYY C35H45N7O16 819.2923 NA PeJP NA NA +PJ043601 CNNNNNQ C28H45N13O14S 819.293 NA PeJP NA NA +PJ043602 GSPCMYY C36H49N7O11S2 819.2932 NA PeJP NA NA +PJ043603 GCCNMHR C29H49N13O9S3 819.2939 NA PeJP NA NA +PJ043604 GPEEEEM C32H49N7O16S 819.2957 NA PeJP NA NA +PJ043605 GSTMMMY C33H53N7O11S3 819.2965 NA PeJP NA NA +PJ043606 SSSCNHW C33H45N11O12S 819.297 NA PeJP NA NA +PJ043607 GNDDDER C29H45N11O17 819.2995 NA PeJP NA NA +PJ043608 GGGGGGGGSEE C29H45N11O17 819.2996 NA PeJP NA NA +PJ043609 SSNNMMH C30H49N11O12S2 819.3004 NA PeJP NA NA +PJ043610 PCNDWW C38H45N9O10S 819.301 NA PeJP NA NA +PJ043611 GGPCDWW C38H45N9O10S 819.3011 NA PeJP NA NA +PJ043612 NNEEEW C34H45N9O15 819.3035 NA PeJP NA NA +PJ043613 GGNEEEW C34H45N9O15 819.3036 NA PeJP NA NA +PJ043614 SEMMHW C35H49N9O10S2 819.3044 NA PeJP NA NA +PJ043615 CYYWW C43H45N7O8S 819.305 NA PeJP NA NA +PJ043616 SSTEEMH C31H49N9O15S 819.3069 NA PeJP NA NA +PJ043617 SSDYYW C39H45N7O13 819.3076 NA PeJP NA NA +PJ043618 AAEMMMH C32H53N9O10S3 819.3078 NA PeJP NA NA +PJ043619 GSDMHHH C32H45N13O11S 819.3083 NA PeJP NA NA +PJ043620 ACMFYW C40H49N7O8S2 819.3084 NA PeJP NA NA +PJ043621 GSSNNNNN C28H45N13O16 819.3107 NA PeJP NA NA +PJ043622 GGGSSNNNN C28H45N13O16 819.3108 NA PeJP NA NA +PJ043623 PEEEMW C36H49N7O13S 819.3109 NA PeJP NA NA +PJ043624 SSCCQHR C29H49N13O11S2 819.3116 NA PeJP NA NA +PJ043625 GGGGGGPCCR C29H49N13O11S2 819.3117 NA PeJP NA NA +PJ043626 NMMMFF C37H53N7O8S3 819.3118 NA PeJP NA NA +PJ043627 CNNHFW C37H45N11O9S 819.3123 NA PeJP NA NA +PJ043628 GVEEEEE C32H49N7O18 819.3134 NA PeJP NA NA +PJ043629 SSTTMMY C33H53N7O13S2 819.3143 NA PeJP NA NA +PJ043630 NDDDRW C33H45N11O14 819.3148 NA PeJP NA NA +PJ043631 GSCCKHW C34H49N11O9S2 819.3157 NA PeJP NA NA +PJ043632 SPCNDER C30H49N11O14S 819.3181 NA PeJP NA NA +PJ043633 GGSPCDER C30H49N11O14S 819.3182 NA PeJP NA NA +PJ043634 GNEEWW C38H45N9O12 819.3188 NA PeJP NA NA +PJ043635 DMMMHR C31H53N11O9S3 819.319 NA PeJP NA NA +PJ043636 PCMHFW C39H49N9O7S2 819.3197 NA PeJP NA NA +PJ043637 GSPNEMW C35H49N9O12S 819.3222 NA PeJP NA NA +PJ043638 CLMMHW C36H53N9O7S3 819.323 NA PeJP NA NA +PJ043639 TCHHHW C36H45N13O8S 819.3235 NA PeJP NA NA +PJ043640 EEEEER C31H49N9O17 819.3247 NA PeJP NA NA +PJ043641 ATTEMMH C32H53N9O12S2 819.3255 NA PeJP NA NA +PJ043642 GGAPQEMM C32H53N9O12S2 819.3256 NA PeJP NA NA +PJ043643 SSSEHHH C32H45N13O13 819.326 NA PeJP NA NA +PJ043644 GTMYYW C40H49N7O10S 819.3262 NA PeJP NA NA +PJ043645 QMMHHH C33H49N13O8S2 819.3269 NA PeJP NA NA +PJ043646 VEEEEW C36H49N7O15 819.3287 NA PeJP NA NA +PJ043647 GSSSSCHR C29H49N13O13S 819.3294 NA PeJP NA NA +PJ043648 VNMMYY C37H53N7O10S2 819.3296 NA PeJP NA NA +PJ043649 SNNNWW C37H45N11O11 819.33 NA PeJP NA NA +PJ043650 GGGGGGSWW C37H45N11O11 819.3301 NA PeJP NA NA +PJ043651 ACCCKHR C30H53N13O8S3 819.3303 NA PeJP NA NA +PJ043652 SPVEEEM C33H53N7O15S 819.3321 NA PeJP NA NA +PJ043653 PPVDMMM C34H57N7O10S3 819.3329 NA PeJP NA NA +PJ043654 GSPCDRW C34H49N11O11S 819.3334 NA PeJP NA NA +PJ043655 NEWWW C42H45N9O9 819.334 NA PeJP NA NA +PJ043656 GGEWWW C42H45N9O9 819.3341 NA PeJP NA NA +PJ043657 GSNEEER C30H49N11O16 819.3359 NA PeJP NA NA +PJ043658 GPNDMMR C31H53N11O11S2 819.3368 NA PeJP NA NA +PJ043659 GNNNQHH C31H45N15O12 819.3372 NA PeJP NA NA +PJ043660 GGGNNQHH C31H45N15O12 819.3373 NA PeJP NA NA +PJ043661 SPNMWW C39H49N9O9S 819.3374 NA PeJP NA NA +PJ043662 CMHHHR C32H49N15O7S2 819.3381 NA PeJP NA NA +PJ043663 NDKEEW C35H49N9O14 819.3399 NA PeJP NA NA +PJ043664 PQQMMW C36H53N9O9S2 819.3408 NA PeJP NA NA +PJ043665 NEHHHF C36H45N13O10 819.3413 NA PeJP NA NA +PJ043666 ACFFFW C44H49N7O7S 819.3415 NA PeJP NA NA +PJ043667 TTTTEMH C32H53N9O14S 819.3433 NA PeJP NA NA +PJ043668 STTYYW C40H49N7O12 819.3439 NA PeJP NA NA +PJ043669 GTLMMMH C33H57N9O9S3 819.3442 NA PeJP NA NA +PJ043670 CNNQRW C33H49N13O10S 819.3446 NA PeJP NA NA +PJ043671 GGGGCQRW C33H49N13O10S 819.3447 NA PeJP NA NA +MJ095417 Taxol?; N-Debenzoyl, N-butanoyl C44H53NO14 819.346605 NA MeJP NA NA +PJ043672 SSNNNER C29H49N13O15 819.3471 NA PeJP NA NA +PJ043673 GSDDDRR C29H49N13O15 819.3472 NA PeJP NA NA +PJ043674 SKEMYY C37H53N7O12S 819.3473 NA PeJP NA NA +PJ043675 GPCCERR C30H53N13O10S2 819.348 NA PeJP NA NA +7795 Antioxidant peptide derived from egg ovalbumin VHHANEN 819.3488 antioxidative Inhouse_peptide NA peptide +PJ043676 GWWWW C46H45N9O6 819.3493 NA PeJP NA NA +PJ043677 ATLEEEE C33H53N7O17 819.3498 NA PeJP NA NA +PJ043678 APLEEMM C34H57N7O12S2 819.3507 NA PeJP NA NA +PJ043679 ASTNNQW C34H49N11O13 819.3511 NA PeJP NA NA +PJ043680 SNEERW C34H49N11O13 819.3512 NA PeJP NA NA +PJ043681 PCQMRW C35H53N11O8S2 819.352 NA PeJP NA NA +PJ043682 QQEEMR C31H53N11O13S 819.3545 NA PeJP NA NA +PJ043683 GGAAEEMR C31H53N11O13S 819.3546 NA PeJP NA NA +PJ043684 GDKEWW C39H49N9O11 819.3552 NA PeJP NA NA +PJ043685 ACCKKMH C32H57N11O8S3 819.3554 NA PeJP NA NA +PJ043686 GPCNHHR C32H49N15O9S 819.3559 NA PeJP NA NA +PJ043687 GHHHFW C40H45N13O7 819.3565 NA PeJP NA NA +PJ043688 VQQEMW C36H53N9O11S 819.3585 NA PeJP NA NA +PJ043689 LNQEMW C36H53N9O11S 819.3586 NA PeJP NA NA +PJ043690 AAFYYW C44H49N7O9 819.3592 NA PeJP NA NA +PJ043691 SSLQQEE C32H53N9O16 819.361 NA PeJP NA NA +PJ043692 GTQKEEE C32H53N9O16 819.3611 NA PeJP NA NA +PJ043693 STTLMMH C33H57N9O11S2 819.3619 NA PeJP NA NA +PJ043694 GSSNNRW C33H49N13O12 819.3624 NA PeJP NA NA +PJ043695 PCKFYY C41H53N7O9S 819.3626 NA PeJP NA NA +PJ043696 PCCRRW C34H53N13O7S2 819.3633 NA PeJP NA NA +PJ043697 SSSTLYY C37H53N7O14 819.3651 NA PeJP NA NA +PJ043698 NDEMRR C30H53N13O12S 819.3658 NA PeJP NA NA +PJ043699 CLKMYY C38H57N7O9S2 819.3659 NA PeJP NA NA +PJ043700 PPPCLMY C38H57N7O9S2 819.366 NA PeJP NA NA +PJ043701 GSERWW C38H49N11O10 819.3664 NA PeJP NA NA +PJ043702 PTTLEEM C34H57N7O14S 819.3684 NA PeJP NA NA +PJ043703 GLLEEEM C34H57N7O14S 819.3685 NA PeJP NA NA +PJ043704 PPTLMMM C35H61N7O9S3 819.3693 NA PeJP NA NA +PJ043705 AQEMRW C35H53N11O10S 819.3698 NA PeJP NA NA +PJ043706 DKWWW C43H49N9O8 819.3704 NA PeJP NA NA +PJ043707 GSDKEER C31H53N11O15 819.3723 NA PeJP NA NA +PJ043708 GPTQMMR C32H57N11O10S2 819.3732 NA PeJP NA NA +PJ043709 NQEHHR C32H49N15O11 819.3736 NA PeJP NA NA +PJ043710 GGGAEHHR C32H49N15O11 819.3737 NA PeJP NA NA +PJ043711 GLQMWW C40H53N9O8S 819.3738 NA PeJP NA NA +PJ043712 TQKEEW C36H53N9O13 819.3763 NA PeJP NA NA +PJ043713 CDDRRR C29H53N15O11S 819.377 NA PeJP NA NA +PJ043714 PQKMMW C37H57N9O8S2 819.3772 NA PeJP NA NA +PJ043715 VQHHHY C37H49N13O9 819.3776 NA PeJP NA NA +PJ043716 VNQHHW C37H49N13O9 819.3777 NA PeJP NA NA +PJ043717 GVQKEEM C33H57N9O13S 819.3797 NA PeJP NA NA +PJ043718 PLEEFW C41H53N7O11 819.3803 NA PeJP NA NA +PJ043719 GDMRRW C34H53N13O9S 819.381 NA PeJP NA NA +PJ043720 SRWWW C42H49N11O7 819.3817 NA PeJP NA NA +PJ043721 GSSEERR C30H53N13O14 819.3835 NA PeJP NA NA +PJ043722 LLEEMW C38H57N7O11S 819.3837 NA PeJP NA NA +PJ043723 GPTCMRR C31H57N13O9S2 819.3844 NA PeJP NA NA +PJ043724 AAMRWW C39H53N11O7S 819.3851 NA PeJP NA NA +PJ043725 STLLEEE C34H57N7O16 819.3862 NA PeJP NA NA +PJ043726 SPLLEMM C35H61N7O11S2 819.3871 NA PeJP NA NA +PJ043727 SDKERW C35H53N11O12 819.3875 NA PeJP NA NA +PJ043728 GSSVERW C35H53N11O12 819.3876 NA PeJP NA NA +PJ043729 PCKMRW C36H57N11O7S2 819.3884 NA PeJP NA NA +PJ043730 GQHHRW C36H49N15O8 819.3889 NA PeJP NA NA +PJ043731 QKEEMR C32H57N11O12S 819.3909 NA PeJP NA NA +PJ043732 ATKEWW C40H53N9O10 819.3916 NA PeJP NA NA +PJ043733 SSSNNRR C29H53N15O13 819.3947 NA PeJP NA NA +PJ043734 GGSSSNRR C29H53N15O13 819.3948 NA PeJP NA NA +PJ043735 VQKEMW C37H57N9O10S 819.3949 NA PeJP NA NA +PJ043736 GGLKEMW C37H57N9O10S 819.395 NA PeJP NA NA +PJ043737 VNFFFF C45H53N7O8 819.3956 NA PeJP NA NA +PJ043738 GTKKEEE C33H57N9O15 819.3974 NA PeJP NA NA +PJ043739 GGSTLKEE C33H57N9O15 819.3975 NA PeJP NA NA +PJ043740 GPKKEMM C34H61N9O10S2 819.3983 NA PeJP NA NA +PJ043741 SSERRW C34H53N13O11 819.3988 NA PeJP NA NA +PJ043742 CLKFFY C42H57N7O8S 819.399 NA PeJP NA NA +PJ043743 PHHHHR C35H49N17O7 819.4001 NA PeJP NA NA +PJ043744 GPLLEEY C38H57N7O13 819.4015 NA PeJP NA NA +PJ043745 SSSPMRR C31H57N13O11S 819.4021 NA PeJP NA NA +PJ043746 TQEMRR C31H57N13O11S 819.4022 NA PeJP NA NA +PJ043747 PPVVMMF C39H61N7O8S2 819.4023 NA PeJP NA NA +PJ043748 ATTRWW C39H53N11O9 819.4028 NA PeJP NA NA +PJ043749 SVLLEEM C35H61N7O13S 819.4048 NA PeJP NA NA +PJ043750 PVVLMMM C36H65N7O8S3 819.4057 NA PeJP NA NA +PJ043751 AKEMRW C36H57N11O9S 819.4062 NA PeJP NA NA +PJ043752 GPKFWW C44H53N9O7 819.4068 NA PeJP NA NA +PJ043753 GTTKEER C32H57N11O14 819.4087 NA PeJP NA NA +PJ043754 GPTKMMR C33H61N11O9S2 819.4095 NA PeJP NA NA +PJ043755 ASPKMMR C33H61N11O9S2 819.4096 NA PeJP NA NA +PJ043756 NNNFRR C33H53N15O10 819.41 NA PeJP NA NA +PJ043757 GLKMWW C41H57N9O7S 819.4102 NA PeJP NA NA +PJ043758 TKKEEW C37H57N9O12 819.4127 NA PeJP NA NA +PJ043759 SDMRRR C30H57N15O10S 819.4134 NA PeJP NA NA +PJ043760 PKKMMW C38H61N9O7S2 819.4136 NA PeJP NA NA +PJ043761 PPQHRW C38H53N13O8 819.414 NA PeJP NA NA +PJ043762 GAPPHRW C38H53N13O8 819.4141 NA PeJP NA NA +PJ043763 GVKKEEM C34H61N9O12S 819.4161 NA PeJP NA NA +PJ043764 PLLEYW C42H57N7O10 819.4167 NA PeJP NA NA +PJ043765 ATMRRW C35H57N13O8S 819.4174 NA PeJP NA NA +PJ043766 GTTTERR C31H57N13O13 819.4199 NA PeJP NA NA +PJ043767 SPPLLMY C39H61N7O10S 819.4201 NA PeJP NA NA +PJ043768 VQMMRR C32H61N13O8S2 819.4208 NA PeJP NA NA +PJ043769 SQHHRR C32H53N17O9 819.4213 NA PeJP NA NA +PJ043770 ALLLEMM C36H65N7O10S2 819.4235 NA PeJP NA NA +PJ043771 TTKERW C36H57N11O11 819.4239 NA PeJP NA NA +PJ043772 GGGGGPKKY C36H57N11O11 819.424 NA PeJP NA NA +PJ043773 GKHHRW C37H53N15O7 819.4253 NA PeJP NA NA +PJ043774 KKEEMR C33H61N11O11S 819.4273 NA PeJP NA NA +PJ043775 STLKWW C41H57N9O9 819.4279 NA PeJP NA NA +PJ043776 VTTKWW C41H57N9O9 819.428 NA PeJP NA NA +PJ043777 VKKEMW C38H61N9O9S 819.4313 NA PeJP NA NA +PJ043778 AMMRRR C31H61N15O7S2 819.432 NA PeJP NA NA +PJ043779 SSLKKEE C34H61N9O14 819.4338 NA PeJP NA NA +PJ043780 SPVKKMM C35H65N9O9S2 819.4347 NA PeJP NA NA +PJ043781 TTTRRW C35H57N13O10 819.4352 NA PeJP NA NA +PJ043782 SPVLLEY C39H61N7O12 819.4378 NA PeJP NA NA +PJ043783 PVVTLEY C39H61N7O12 819.4379 NA PeJP NA NA +PJ043784 TKEMRR C32H61N13O10S 819.4385 NA PeJP NA NA +PJ043785 GGGSKKMR C32H61N13O10S 819.4386 NA PeJP NA NA +PJ043786 APKRYW C40H57N11O8 819.4392 NA PeJP NA NA +MJ095418 Phenelfamycin; Unphenelfamycin C43H65NO14 819.440505 NA MeJP NA NA +PJ043787 TTLLLEM C36H65N7O12S 819.4412 NA PeJP NA NA +PJ043788 SLKMRW C37H61N11O8S 819.4426 NA PeJP NA NA +PJ043789 TTTTLQR C33H61N11O13 819.445 NA PeJP NA NA +PJ043790 SSTLKER C33H61N11O13 819.4451 NA PeJP NA NA +PJ043791 AALKMMR C34H65N11O8S2 819.4459 NA PeJP NA NA +PJ043792 GEFRRR C34H57N15O9 819.4464 NA PeJP NA NA +PJ043793 SSSLLKW C38H61N9O11 819.4491 NA PeJP NA NA +PJ043794 TTMRRR C31H61N15O9S 819.4498 NA PeJP NA NA +PJ043795 GVFRRW C39H57N13O7 819.4504 NA PeJP NA NA +PJ043796 ATLKKEM C35H65N9O11S 819.4525 NA PeJP NA NA +PJ043797 LLLEFW C43H61N7O9 819.4531 NA PeJP NA NA +PJ043798 SSTTLRR C32H61N13O12 819.4563 NA PeJP NA NA +PJ043799 APLLLMY C40H65N7O9S 819.4565 NA PeJP NA NA +PJ043800 VKMMRR C33H65N13O7S2 819.4572 NA PeJP NA NA +PJ043801 SKHHRR C33H57N17O8 819.4576 NA PeJP NA NA +PJ043802 SLLLLMM C37H69N7O9S2 819.4599 NA PeJP NA NA +PJ043803 GSSKKKW C37H61N11O10 819.4603 NA PeJP NA NA +PJ043804 FRRRW C38H57N15O6 819.4617 NA PeJP NA NA +3898 temporin L FVQWFSKFLGRIL~ 819.46245 MH2+ Inhouse_peptide NA peptide +PJ043805 ATTLKMR C34H65N11O10S 819.4637 NA PeJP NA NA +PJ043806 PVKKYW C42H61N9O8 819.4643 NA PeJP NA NA +PJ043807 GGLLKFW C42H61N9O8 819.4644 NA PeJP NA NA +PJ043808 GPLKKMF C39H65N9O8S 819.4677 NA PeJP NA NA +PJ043809 TTTLKKE C35H65N9O13 819.4702 NA PeJP NA NA +PJ043810 GLLKKMM C36H69N9O8S2 819.4711 NA PeJP NA NA +PJ043811 PTKRRY C36H61N13O9 819.4716 NA PeJP NA NA +PJ043812 GLLLLEY C40H65N7O11 819.4742 NA PeJP NA NA +PJ043813 GTCKKKR C33H65N13O9S 819.4749 NA PeJP NA NA +PJ043814 ALKFRW C41H61N11O7 819.4756 NA PeJP NA NA +PJ043815 CKKKKW C38H65N11O7S 819.4789 NA PeJP NA NA +PJ043816 TTTTLKR C34H65N11O12 819.4814 NA PeJP NA NA +PJ043817 GGTTTKKK C34H65N11O12 819.4815 NA PeJP NA NA +PJ043818 GLRRRY C35H61N15O8 819.4828 NA PeJP NA NA +PJ043819 APTLKKY C39H65N9O10 819.4855 NA PeJP NA NA +PJ043820 STLLKKM C36H69N9O10S 819.4888 NA PeJP NA NA +PJ043821 LLLLYW C44H65N7O8 819.4895 NA PeJP NA NA +PJ043822 SSSKKKR C33H65N13O11 819.4927 NA PeJP NA NA +PJ043823 ALLLLMF C41H69N7O8S 819.4929 NA PeJP NA NA +PJ043824 PVHRRR C34H61N17O7 819.494 NA PeJP NA NA +PJ043825 LLQKRY C38H65N11O9 819.4967 NA PeJP NA NA +PJ043826 GTKKKKM C35H69N11O9S 819.5001 NA PeJP NA NA +PJ043827 VLKKFW C43H65N9O7 819.5007 NA PeJP NA NA +PJ043828 VVKRRY C37H65N13O8 819.5079 NA PeJP NA NA +PJ043829 PPPVVRR C37H65N13O8 819.508 NA PeJP NA NA +PJ043830 SVLLLLY C41H69N7O10 819.5106 NA PeJP NA NA +MJ095419 Crustulinol; 2-O-(3-Hydroxy-3-methylglutaroyl)(S)-, amide with (2S,3S)-isoleucine Me ester, 3-Ac C45H73NO12 819.513276 NA MeJP NA NA +MJ095420 Scytophycin A; 27-Ketone C45H73NO12 819.513276 NA MeJP NA NA +PJ043831 STTKKKK C35H69N11O11 819.5178 NA PeJP NA NA +PJ043832 GVLLKKY C40H69N9O9 819.5219 NA PeJP NA NA +PJ043833 LLKKRY C39H69N11O8 819.5331 NA PeJP NA NA +PJ043834 VLLLLLH C41H73N9O8 819.5583 NA PeJP NA NA +EUR1016 PC 40:6 [M-H-CH3]- C48H84NO8P 819.577807 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1016 PC 40:6 [M-H-CH3]- C48H84NO8P 819.577807 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1016 PC 40:6 [M-H-CH3]- C48H84NO8P 819.577807 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1016 PC 40:6 [M-H-CH3]- C48H84NO8P 819.577807 masses lipides attendues Inhousejuil11 NA NA +HMDB09243 PE(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C47H82NO8P 819.57782 NA HMDB2010 NA NA +HMDB09274 PE(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C47H82NO8P 819.57782 NA HMDB2010 NA NA +HMDB09275 PE(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C47H82NO8P 819.57782 NA HMDB2010 NA NA +HMDB09306 PE(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) C47H82NO8P 819.57782 NA HMDB2010 NA NA +HMDB09404 PE(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)) C47H82NO8P 819.57782 NA HMDB2010 NA NA +HMDB09437 PE(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z)) C47H82NO8P 819.57782 NA HMDB2010 NA NA +HMDB09469 PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z)) C47H82NO8P 819.57782 NA HMDB2010 NA NA +HMDB09533 PE(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C47H82NO8P 819.57782 NA HMDB2010 NA NA +HMDB09564 PE(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C47H82NO8P 819.57782 NA HMDB2010 NA NA +HMDB09565 PE(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C47H82NO8P 819.57782 NA HMDB2010 NA NA +HMDB09594 PE(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z)) C47H82NO8P 819.57782 NA HMDB2010 NA NA +HMDB09626 PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)) C47H82NO8P 819.57782 NA HMDB2010 NA NA +HMDB09659 PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) C47H82NO8P 819.57782 NA HMDB2010 NA NA +HMDB09691 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0) C47H82NO8P 819.57782 NA HMDB2010 NA NA +EUR943 PC 34:1 [M-H+acetate]- C42H82NO8P 819.598907 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1033 16:0-18:1 PC [M-H+acetate]- C42H82NO8P 819.598907 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR943 PC 34:1 [M-H+acetate]- C42H82NO8P 819.598907 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1033 16:0-18:1 PC [M-H+acetate]- C42H82NO8P 819.598907 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR943 PC 34:1 [M-H+acetate]- C42H82NO8P 819.598907 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1033 16:0-18:1 PC [M-H+acetate]- C42H82NO8P 819.598907 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR943 PC 34:1 [M-H+acetate]- C42H82NO8P 819.598907 masses lipides attendues Inhousejuil11 NA NA +EUR1033 16:0-18:1 PC [M-H+acetate]- C42H82NO8P 819.598907 masses lipides attendues Inhousejuil11 NA NA +HMDB10164 PS(18:0/20:0) C44H86NO10P 819.598938 NA HMDB2010 NA NA +EUR547 16 :0-18 :1 PC F4 F4 819.600925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_urine NA urine +EUR547 16 :0-18 :1 PC F4 NA 819.600925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR547 16 :0-18 :1 PC F4 F4 819.600925 standards wishlist analyses sur QTOF BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR547 16 :0-18 :1 PC F4 NA 819.600925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR547 16 :0-18 :1 PC F4 F4 819.600925 standards wishlist analyses sur QTOF Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR547 16 :0-18 :1 PC F4 NA 819.600925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR547 16 :0-18 :1 PC F4 F4 819.600925 standards wishlist analyses sur QTOF banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR547 16 :0-18 :1 PC F4 F4 819.600925 standards wishlist analysés sur QTOF HMDB NA NA +EUR547 16 :0-18 :1 PC F4 F4 819.600925 standards wishlist analyses sur QTOF Inhouse_PFEM NA NA +EUR547 16 :0-18 :1 PC F4 NA 819.600925 standards wishlist analyses sur QTOF Inhousejuil11 NA NA +EUR547 16 :0-18 :1 PC F4 F4 819.600925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_blood NA blood +EUR547 16 :0-18 :1 PC F4 F4 819.600925 standards wishlist analyses sur QTOF PFEM_hmdb_metabocards_official NA NA +HMDB08654 PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z)) C48H86NO7P 819.614197 NA HMDB2010 NA NA +HMDB08655 PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z)) C48H86NO7P 819.614197 NA HMDB2010 NA NA +HMDB08686 PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:0) C48H86NO7P 819.614197 NA HMDB2010 NA NA +HMDB08719 PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:0) C48H86NO7P 819.614197 NA HMDB2010 NA NA +HMDB11260 PC(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) C48H86NO7P 819.614197 NA HMDB2010 NA NA +HMDB11261 PC(P-18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C48H86NO7P 819.614197 NA HMDB2010 NA NA +HMDB11292 PC(P-18:1(11Z)/22:4(7Z,10Z,13Z,16Z)) C48H86NO7P 819.614197 NA HMDB2010 NA NA +HMDB11325 PC(P-18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C48H86NO7P 819.614197 NA HMDB2010 NA NA +HMDB13422 PC(o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H86NO7P 819.614197 NA HMDB2010 NA NA +EUR1141 SM(d18:1/26:5) [M-H-CH3]- C49H90N2O6P 819.638001 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1141 SM(d18:1/26:5) [M-H-CH3]- C49H90N2O6P 819.638001 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1141 SM(d18:1/26:5) [M-H-CH3]- C49H90N2O6P 819.638001 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1141 SM(d18:1/26:5) [M-H-CH3]- C49H90N2O6P 819.638001 masses lipides attendues Inhousejuil11 NA NA +MJ095421 1,2-Diphytanylglycero-3-phosphoserine C46H94NO8P 819.671705 NA MeJP NA NA +HMDB06230 Bisdiphosphoinositol tetrakisphosphate C6H20O30P8 819.794006 NA HMDB2010 NA NA +MetaCyc04152 5,6-[PP]2-InsP4 [(5,6)-bisdiphosphoinositol tetrakisphosphate;] C6H20O30P8 819.794031 NA metacyc NA NA +PJ043835 GCCCCCDD C25H40N8O13S5 820.1319 NA PeJP NA NA +MJ095422 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(2-sulfo-6-O-malonyl-?-D-glucopyranoside) C32H37O23S(+) 820.136808 NA MeJP NA NA +PJ043836 SPCCCCCC C26H44N8O10S6 820.1505 NA PeJP NA NA +PJ043837 GSCCCCDM C26H44N8O12S5 820.1683 NA PeJP NA NA +MJ095423 Vitexin; 7-O-[O-Sulfo-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside]] C33H40O22S 820.173193 NA MeJP NA NA +PJ043838 TCCCCCW C30H44N8O9S5 820.1835 NA PeJP NA NA +PJ043839 SSSCCCCE C26H44N8O14S4 820.186 NA PeJP NA NA +PJ043840 CCCCQMM C27H48N8O9S6 820.1869 NA PeJP NA NA +PJ043841 CCCCCMR C26H48N10O8S6 820.1981 NA PeJP NA NA +PJ043842 CCCCNEF C30H44N8O11S4 820.2013 NA PeJP NA NA +PJ043843 GSSCCCMM C27H48N8O11S5 820.2046 NA PeJP NA NA +PJ043844 CCNDDDH C28H40N10O15S2 820.2116 NA PeJP NA NA +PJ043845 GGCCDDDH C28H40N10O15S2 820.2117 NA PeJP NA NA +PJ043846 GCCCCFW C34H44N8O8S4 820.2165 NA PeJP NA NA +PJ043847 SCCCNEY C30H44N8O13S3 820.219 NA PeJP NA NA +PJ043848 SSSTCCCM C27H48N8O13S4 820.2224 NA PeJP NA NA +PJ043849 CCCCKMM C28H52N8O8S6 820.2233 NA PeJP NA NA +PJ043850 GSPCCCDH C29H44N10O12S3 820.2303 NA PeJP NA NA +PJ043851 GSCCCYW C34H44N8O10S3 820.2343 NA PeJP NA NA +PJ043852 GSSSCCDY C30H44N8O15S2 820.2368 NA PeJP NA NA +PJ043853 GCCNMMY C31H48N8O10S4 820.2376 NA PeJP NA NA +PJ043854 GGGCCMMY C31H48N8O10S4 820.2377 NA PeJP NA NA +MJ095424 Antibiotic U 77802 C34H48N2O17S2 820.239439 NA MeJP NA NA +PJ043855 CCCNNQH C28H44N12O11S3 820.2415 NA PeJP NA NA +MJ095425 Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 1',2,6-tri-Ac C38H44O20 820.242593 NA MeJP NA NA +MJ095426 Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 2,4,6-tri-Ac C38H44O20 820.242593 NA MeJP NA NA +PJ043856 NNNDDDD C28H40N10O19 820.2471 NA PeJP NA NA +PJ043857 GGNNDDDD C28H40N10O19 820.2472 NA PeJP NA NA +PJ043858 SCNDDMH C29H44N10O14S2 820.248 NA PeJP NA NA +PJ043859 ACCCCRY C30H48N10O9S4 820.2489 NA PeJP NA NA +PJ043860 GCCNDFY C34H44N8O12S2 820.252 NA PeJP NA NA +PJ043861 GGGCCDFY C34H44N8O12S2 820.2521 NA PeJP NA NA +MJ095427 N5-Formyl-5,6,7,8-tetrahydromethanopterin C31H45N6O18P 820.252795 NA MeJP NA NA +PJ043862 PCNDDEE C30H44N8O17S 820.2545 NA PeJP NA NA +PJ043863 PNDDDDM C30H44N8O17S 820.2546 NA PeJP NA NA +PJ043864 SSCCQMY C31H48N8O12S3 820.2554 NA PeJP NA NA +MJ095428 Catalpol; 6-O-(2,3,4-Tri-O-benzoyl-?-L-rhamnopyranoside) C42H44O17 820.257849 NA MeJP NA NA +PJ043865 DDDMYY C35H44N6O15S 820.2586 NA PeJP NA NA +PJ043866 GSSCCNNH C28H44N12O13S2 820.2593 NA PeJP NA NA +PJ043867 PCCCCHR C29H48N12O8S4 820.2601 NA PeJP NA NA +PJ043868 DMMMMY C33H52N6O10S4 820.2628 NA PeJP NA NA +PJ043869 GSCCEHW C33H44N10O11S2 820.2633 NA PeJP NA NA +MJ095429 Jaspolyanthoside C35H48O22 820.263723 NA MeJP NA NA +PJ043870 GSSSCDEH C29H44N10O16S 820.2658 NA PeJP NA NA +PJ043871 SSCCCRY C30H48N10O11S3 820.2666 NA PeJP NA NA +PJ043872 GGGCEMMH C30H48N10O11S3 820.2667 NA PeJP NA NA +PJ043873 GPCDDEW C34H44N8O14S 820.2698 NA PeJP NA NA +PJ043874 GCCNMFF C35H48N8O9S3 820.2707 NA PeJP NA NA +PJ043875 GNDEEEE C30H44N8O19 820.2723 NA PeJP NA NA +PJ043876 GSSSSCMY C31H48N8O14S2 820.2732 NA PeJP NA NA +PJ043877 ACCCKMY C32H52N8O9S4 820.274 NA PeJP NA NA +PJ043878 APPPCCCM C32H52N8O9S4 820.2741 NA PeJP NA NA +PJ043879 CNNNNNE C28H44N12O15S 820.277 NA PeJP NA NA +PJ043880 GGGGGGGGGGCE C28H44N12O15S 820.2771 NA PeJP NA NA +PJ043881 DDMMFY C36H48N6O12S2 820.2772 NA PeJP NA NA +PJ043882 GCCDMHR C29H48N12O10S3 820.2779 NA PeJP NA NA +PJ043883 SCCHWW C37H44N10O8S2 820.2785 NA PeJP NA NA +PJ043884 SSSCDHW C33H44N10O13S 820.281 NA PeJP NA NA +PJ043885 GGGCDEHF C33H44N10O13S 820.2811 NA PeJP NA NA +PJ043886 MMMMMF C34H56N6O7S5 820.2814 NA PeJP NA NA +PJ043887 CNMMHW C34H48N10O8S3 820.2819 NA PeJP NA NA +PJ043888 GDDDDER C29H44N10O18 820.2835 NA PeJP NA NA +PJ043889 GGGGSNDEE C29H44N10O18 820.2836 NA PeJP NA NA +PJ043890 SSNDMMH C30H48N10O13S2 820.2844 NA PeJP NA NA +PJ043891 PCDDWW C38H44N8O11S 820.2851 NA PeJP NA NA +PJ043892 PCCCKMH C31H52N10O8S4 820.2853 NA PeJP NA NA +PJ043893 ACCNHHH C31H44N14O9S2 820.2857 NA PeJP NA NA +PJ043894 GCCQHHH C31H44N14O9S2 820.2858 NA PeJP NA NA +PJ043895 NDEEEW C34H44N8O16 820.2876 NA PeJP NA NA +PJ043896 SPPCCEW C35H48N8O11S2 820.2884 NA PeJP NA NA +PJ043897 SSSSSTCY C31H48N8O16S 820.2909 NA PeJP NA NA +PJ043898 DDDFFY C39H44N6O14 820.2916 NA PeJP NA NA +PJ043899 SSCCKMY C32H52N8O11S3 820.2918 NA PeJP NA NA +PJ043900 GCNNNNW C32H44N12O12S 820.2923 NA PeJP NA NA +MJ095430 Dryocrassin C43H48O16 820.294235 NA MeJP NA NA +MJ095431 Saquayamycin A C43H48O16 820.294235 NA MeJP NA NA +MJ095432 Saquayamycin B C43H48O16 820.294235 NA MeJP NA NA +PJ043901 GSSNNNND C28H44N12O17 820.2948 NA PeJP NA NA +PJ043902 SEEMYY C36H48N6O14S 820.2949 NA PeJP NA NA +MJ095433 Tenuisine A; 3,3'-Dioxo C44H44N4O12 820.295572 NA MeJP NA NA +PJ043903 SSCCEHR C29H48N12O12S2 820.2956 NA PeJP NA NA +PJ043904 GGPCCNDR C29H48N12O12S2 820.2957 NA PeJP NA NA +PJ043905 DMMMFF C37H52N6O9S3 820.2958 NA PeJP NA NA +HMDB06565 Sialyl-Lewis X C31H52N2O23 820.29608 http://www.hmdb.ca/metabolites/HMDB06565 HMDB NA NA +HMDB06579 3-Sialyl Lewis C31H52N2O23 820.29608 http://www.hmdb.ca/metabolites/HMDB06579 HMDB NA NA +HMDB06565 Sialyl-Lewis X C31H52N2O23 820.29608 HMDB06565 PFEM_hmdb_metabocards_official NA NA +HMDB06579 3-Sialyl Lewis C31H52N2O23 820.29608 HMDB06579 PFEM_hmdb_metabocards_official NA NA +HMDB06565 Sialyl-Lewis X C31H52N2O23 820.296082 NA HMDB2010 NA NA +HMDB06579 3-Sialyl Lewis C31H52N2O23 820.296082 NA HMDB2010 NA NA +PJ043906 CNDHFW C37H44N10O10S 820.2963 NA PeJP NA NA +PJ043907 DDDDRW C33H44N10O15 820.2988 NA PeJP NA NA +PJ043908 GSTCMHW C34H48N10O10S2 820.2997 NA PeJP NA NA +PJ043909 SPCDDER C30H48N10O15S 820.3022 NA PeJP NA NA +PJ043910 GDEEWW C38H44N8O13 820.3028 NA PeJP NA NA +PJ043911 PPCCDMR C31H52N10O10S3 820.303 NA PeJP NA NA +PJ043912 GGGPPCCCK C31H52N10O10S3 820.3031 NA PeJP NA NA +PJ043913 SSCNHHH C31H44N14O11S 820.3035 NA PeJP NA NA +PJ043914 GSPDEMW C35H48N8O13S 820.3062 NA PeJP NA NA +PJ043915 GPPCMMW C36H52N8O8S3 820.3071 NA PeJP NA NA +PJ043916 GTQEEEE C31H48N8O18 820.3087 NA PeJP NA NA +PJ043917 GPQEEMM C32H52N8O13S2 820.3096 NA PeJP NA NA +PJ043918 SPNDDHH C32H44N12O14 820.31 NA PeJP NA NA +PJ043919 PCEFYY C40H48N6O11S 820.3102 NA PeJP NA NA +PJ043920 EMMHHH C33H48N12O9S2 820.3109 NA PeJP NA NA +PJ043921 GNNDDMR C29H48N12O14S 820.3134 NA PeJP NA NA +PJ043922 VDMMYY C37H52N6O11S2 820.3136 NA PeJP NA NA +PJ043923 SNNDWW C37H44N10O12 820.314 NA PeJP NA NA +PJ043924 GGGGSDWW C37H44N10O12 820.3141 NA PeJP NA NA +PJ043925 GSCMMHR C30H52N12O9S3 820.3143 NA PeJP NA NA +PJ043926 CMHHFF C38H48N10O7S2 820.3149 NA PeJP NA NA +MJ095434 Phyllanthocic acid; [3-O-Acetyl-6-deoxy-?-D-glucopyranosyl-(1?2)-3-O-acetyl-?-D-glucopyranosyl] ester C40H52O18 820.315364 NA MeJP NA NA +PJ043927 SSSSMHW C34H48N10O12S 820.3174 NA PeJP NA NA +PJ043928 DEWWW C42H44N8O10 820.3181 NA PeJP NA NA +PJ043929 GSDEEER C30H48N10O17 820.3199 NA PeJP NA NA +PJ043930 GPDDMMR C31H52N10O12S2 820.3208 NA PeJP NA NA +PJ043931 GNNNEHH C31H44N14O13 820.3213 NA PeJP NA NA +PJ043932 SPDMWW C39H48N8O10S 820.3214 NA PeJP NA NA +PJ043933 GGGACFFY C39H48N8O10S 820.3215 NA PeJP NA NA +PJ043934 GCCKHHH C32H48N14O8S2 820.3221 NA PeJP NA NA +PJ043935 TQEEEW C35H48N8O15 820.3239 NA PeJP NA NA +PJ043936 GATEEEW C35H48N8O15 820.324 NA PeJP NA NA +PJ043937 SCNNNNR C28H48N14O13S 820.3246 NA PeJP NA NA +PJ043938 GGGGGGSCNR C28H48N14O13S 820.3247 NA PeJP NA NA +PJ043939 PQEMMW C36H52N8O10S2 820.3248 NA PeJP NA NA +PJ043940 DEHHHF C36H44N12O11 820.3253 NA PeJP NA NA +PJ043941 GVQEEEM C32H52N8O15S 820.3273 NA PeJP NA NA +PJ043942 SPEYYY C40H48N6O13 820.328 NA PeJP NA NA +PJ043943 SPPQMMM C33H56N8O10S3 820.3282 NA PeJP NA NA +PJ043944 CNNERW C33H48N12O11S 820.3287 NA PeJP NA NA +PJ043945 GSSSNNQQ C29H48N12O16 820.3311 NA PeJP NA NA +PJ043946 SSNNDER C29H48N12O16 820.3312 NA PeJP NA NA +PJ043947 SSTCMHR C30H52N12O11S2 820.332 NA PeJP NA NA +PJ043948 VMMMFY C38H56N6O8S3 820.3322 NA PeJP NA NA +PJ043949 GNQMWW C38H48N10O9S 820.3327 NA PeJP NA NA +PJ043950 SDEERW C34H48N10O14 820.3352 NA PeJP NA NA +PJ043951 GPCCQKW C35H52N10O9S2 820.336 NA PeJP NA NA +PJ043952 PCEMRW C35H52N10O9S2 820.3361 NA PeJP NA NA +PJ043953 NNNHHW C35H44N14O10 820.3365 NA PeJP NA NA +PJ043954 QEEEMR C31H52N10O14S 820.3385 NA PeJP NA NA +PJ043955 GAEEEMR C31H52N10O14S 820.3386 NA PeJP NA NA +PJ043956 ATEEWW C39H48N8O12 820.3392 NA PeJP NA NA +PJ043957 SPPCMMR C32H56N10O9S3 820.3394 NA PeJP NA NA +PJ043958 GPCDHHR C32H48N14O10S 820.3399 NA PeJP NA NA +PJ043959 APMMWW C40H52N8O7S2 820.3401 NA PeJP NA NA +PJ043960 VQEEMW C36H52N8O12S 820.3426 NA PeJP NA NA +PJ043961 GCNRWW C37H48N12O8S 820.3439 NA PeJP NA NA +PJ043962 GTKEEEE C32H52N8O17 820.3451 NA PeJP NA NA +PJ043963 GPKEEMM C33H56N8O12S2 820.3459 NA PeJP NA NA +PJ043964 APDKEMM C33H56N8O12S2 820.346 NA PeJP NA NA +PJ043965 GSSNDRW C33H48N12O13 820.3464 NA PeJP NA NA +PJ043966 GGGGGGGGGAAF C33H48N12O13 820.3465 NA PeJP NA NA +PJ043967 PCLYYY C41H52N6O10S 820.3466 NA PeJP NA NA +PJ043968 CQMHFR C34H52N12O8S2 820.3473 NA PeJP NA NA +PJ043969 DDEMRR C30H52N12O13S 820.3498 NA PeJP NA NA +PJ043970 TLMMYY C38H56N6O10S2 820.35 NA PeJP NA NA +PJ043971 SSQQWW C38H48N10O11 820.3504 NA PeJP NA NA +PJ043972 GGGGGAPYW C38H48N10O11 820.3505 NA PeJP NA NA +PJ043973 AEEMRW C35H52N10O11S 820.3538 NA PeJP NA NA +PJ043974 GPEFWW C43H48N8O9 820.3545 NA PeJP NA NA +PJ043975 GTTEEER C31H52N10O16 820.3563 NA PeJP NA NA +PJ043976 GPTEMMR C32H56N10O11S2 820.3572 NA PeJP NA NA +PJ043977 NEEHHR C32H48N14O12 820.3576 NA PeJP NA NA +PJ043978 GGEEHHR C32H48N14O12 820.3577 NA PeJP NA NA +PJ043979 GLEMWW C40H52N8O9S 820.3578 NA PeJP NA NA +PJ043980 CCHFRR C33H52N14O7S2 820.3585 NA PeJP NA NA +PJ043981 TKEEEW C36H52N8O14 820.3603 NA PeJP NA NA +PJ043982 GSCNERR C29H52N14O12S 820.361 NA PeJP NA NA +PJ043983 PKEMMW C37H56N8O9S2 820.3612 NA PeJP NA NA +PJ043984 VNEHHW C37H48N12O10 820.3617 NA PeJP NA NA +PJ043985 GVKEEEM C33H56N8O14S 820.3637 NA PeJP NA NA +PJ043986 ALEYYY C41H52N6O12 820.3643 NA PeJP NA NA +PJ043987 SPPKMMM C34H60N8O9S3 820.3646 NA PeJP NA NA +PJ043988 SNQMRW C34H52N12O10S 820.365 NA PeJP NA NA +PJ043989 GGGGTMRW C34H52N12O10S 820.3651 NA PeJP NA NA +PJ043990 VMMFFF C42H56N6O7S2 820.3652 NA PeJP NA NA +PJ043991 GQHFFW C42H48N10O8 820.3657 NA PeJP NA NA +PJ043992 SSSQQER C30H52N12O15 820.3675 NA PeJP NA NA +PJ043993 GGGGSTTER C30H52N12O15 820.3676 NA PeJP NA NA +MJ095435 Catharicine C46H52N4O10 820.368343 NA MeJP NA NA +PJ043994 QQQMMR C31H56N12O10S2 820.3684 NA PeJP NA NA +PJ043995 GSNNHHR C31H48N16O11 820.3689 NA PeJP NA NA +PJ043996 GNKMWW C39H52N10O8S 820.3691 NA PeJP NA NA +PJ043997 PFWWW C47H48N8O6 820.3697 NA PeJP NA NA +MJ095436 Decatromicin A C45H57ClN2O10 820.370173 NA MeJP NA NA +PJ043998 SSSLNQW C35H52N10O13 820.3715 NA PeJP NA NA +PJ043999 TTEERW C35H52N10O13 820.3716 NA PeJP NA NA +PJ044000 PTMMRW C36H56N10O8S2 820.3724 NA PeJP NA NA +PJ044001 GEHHRW C36H48N14O9 820.3729 NA PeJP NA NA +PJ044002 LMWWW C44H52N8O6S 820.3731 NA PeJP NA NA +PJ044003 KEEEMR C32H56N10O13S 820.3749 NA PeJP NA NA +PJ044004 GGGDKKEM C32H56N10O13S 820.375 NA PeJP NA NA +PJ044005 STLEWW C40H52N8O11 820.3756 NA PeJP NA NA +PJ044006 GPVMMMR C33H60N10O8S3 820.3758 NA PeJP NA NA +PJ044007 SCNRRW C33H52N14O9S 820.3763 NA PeJP NA NA +PJ044008 GVHHWW C41H48N12O7 820.3769 NA PeJP NA NA +PJ044009 SSSNDRR C29H52N14O14 820.3788 NA PeJP NA NA +PJ044010 SSPTLMW C37H56N8O11S 820.3789 NA PeJP NA NA +PJ044011 VKEEMW C37H56N8O11S 820.379 NA PeJP NA NA +PJ044012 PTFFFY C45H52N6O9 820.3796 NA PeJP NA NA +PJ044013 GGNMMRR C30H56N14O9S2 820.3797 NA PeJP NA NA +PJ044014 LMHHHF C38H52N12O7S 820.3803 NA PeJP NA NA +PJ044015 SSSPTTLE C33H56N8O16 820.3814 NA PeJP NA NA +PJ044016 SSLKEEE C33H56N8O16 820.3815 NA PeJP NA NA +PJ044017 SPVKEMM C34H60N8O11S2 820.3823 NA PeJP NA NA +PJ044018 GSSTQRW C34H52N12O12 820.3828 NA PeJP NA NA +PJ044019 VVMFYY C42H56N6O9S 820.383 NA PeJP NA NA +PJ044020 CKMHFR C35H56N12O7S2 820.3837 NA PeJP NA NA +PJ044021 TEEMRR C31H56N12O12S 820.3862 NA PeJP NA NA +PJ044022 SSQKWW C39H52N10O10 820.3868 NA PeJP NA NA +PJ044023 PMMMRR C32H60N12O7S3 820.387 NA PeJP NA NA +MJ095437 3,22-Dihydroxy-11-oxo-12-oleanen-30-oic acid, 30?22 Lactone, 3-O-[?-D-glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H60O16 820.388135 NA MeJP NA NA +MJ095438 3-Hydroxy-22-oxo-11,13(18)-oleanadien-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H60O16 820.388135 NA MeJP NA NA +PJ044024 HHRWW C40H48N14O6 820.3882 NA PeJP NA NA +PJ044025 SLEMRW C36H56N10O10S 820.3902 NA PeJP NA NA +PJ044026 GPLYWW C44H52N8O8 820.3908 NA PeJP NA NA +PJ044027 GAPPFFW C44H52N8O8 820.3909 NA PeJP NA NA +PJ044028 SSTLEER C32H56N10O15 820.3927 NA PeJP NA NA +PJ044029 AALEMMR C33H60N10O10S2 820.3936 NA PeJP NA NA +PJ044030 NNDFRR C33H52N14O11 820.394 NA PeJP NA NA +PJ044031 GGGGDFRR C33H52N14O11 820.3941 NA PeJP NA NA +PJ044032 SVLMWW C41H56N8O8S 820.3942 NA PeJP NA NA +PJ044033 SSSLLEW C37H56N8O13 820.3967 NA PeJP NA NA +PJ044034 GSSQMRR C30H56N14O11S 820.3974 NA PeJP NA NA +PJ044035 LLQMMW C38H60N8O8S2 820.3976 NA PeJP NA NA +PJ044036 SQHFFR C38H52N12O9 820.398 NA PeJP NA NA +PJ044037 GQQFRW C38H52N12O9 820.3981 NA PeJP NA NA +PJ044038 ATLKEEM C34H60N8O13S 820.4001 NA PeJP NA NA +PJ044039 SLLYYY C42H56N6O11 820.4007 NA PeJP NA NA +PJ044040 APLKMMM C35H64N8O8S3 820.401 NA PeJP NA NA +PJ044041 SNKMRW C35H56N12O9S 820.4014 NA PeJP NA NA +PJ044042 PPVHWW C43H52N10O7 820.4021 NA PeJP NA NA +PJ044043 SSSQKER C31H56N12O14 820.4039 NA PeJP NA NA +PJ044044 VEMMRR C32H60N12O9S2 820.4048 NA PeJP NA NA +PJ044045 SEHHRR C32H52N16O10 820.4053 NA PeJP NA NA +PJ044046 ACKKWW C40H56N10O7S 820.4055 NA PeJP NA NA +PJ044047 GSTDKKW C36H56N10O12 820.4079 NA PeJP NA NA +PJ044048 GSSKKEW C36H56N10O12 820.408 NA PeJP NA NA +PJ044049 GSSCRRR C29H56N16O10S 820.4086 NA PeJP NA NA +PJ044050 VVMMRW C37H60N10O7S2 820.4088 NA PeJP NA NA +PJ044051 SVHHRW C37H52N14O8 820.4093 NA PeJP NA NA +PJ044052 ATTLEMR C33H60N10O12S 820.4113 NA PeJP NA NA +PJ044053 PVKEYW C41H56N8O10 820.412 NA PeJP NA NA +PJ044054 LQMHHR C34H56N14O8S 820.4127 NA PeJP NA NA +PJ044055 SSSTQRR C30H56N14O13 820.4151 NA PeJP NA NA +PJ044056 GGSSTTRR C30H56N14O13 820.4152 NA PeJP NA NA +PJ044057 GTTLLMW C38H60N8O10S 820.4153 NA PeJP NA NA +PJ044058 GGAPLLMY C38H60N8O10S 820.4154 NA PeJP NA NA +PJ044059 VVFFFY C46H56N6O8 820.416 NA PeJP NA NA +PJ044060 TTTLKEE C34H60N8O15 820.4178 NA PeJP NA NA +MJ095439 Ergophilone A C50H60O10 820.418648 NA MeJP NA NA +PJ044061 GLLKEMM C35H64N8O10S2 820.4187 NA PeJP NA NA +PJ044062 GSSTKRW C35H56N12O11 820.4192 NA PeJP NA NA +3583 NA DFGLEKI 820.4199 ACE inhibitor Inhouse_peptide NA peptide +PJ044063 ASTQKMR C32H60N12O11S 820.4225 NA PeJP NA NA +PJ044064 GSDKKMR C32H60N12O11S 820.4226 NA PeJP NA NA +PJ044065 SSKKWW C40H56N10O9 820.4232 NA PeJP NA NA +PJ044066 CLHHRR C33H56N16O7S 820.4239 NA PeJP NA NA +PJ044067 TQKKMW C37H60N10O9S 820.4266 NA PeJP NA NA +PJ044068 GLLFWW C45H56N8O7 820.4272 NA PeJP NA NA +PJ044069 CCKRRR C30H60N16O7S2 820.4273 NA PeJP NA NA +PJ044070 TTTTLER C33H60N10O14 820.4291 NA PeJP NA NA +PJ044071 ASLLMMR C34H64N10O9S2 820.4299 NA PeJP NA NA +PJ044072 GTLLMMR C34H64N10O9S2 820.43 NA PeJP NA NA +PJ044073 AQQRRY C34H56N14O10 820.4304 NA PeJP NA NA +PJ044074 PLKMFW C42H60N8O7S 820.4306 NA PeJP NA NA +PJ044075 STTTLLW C38H60N8O12 820.4331 NA PeJP NA NA +PJ044076 GSSKMRR C31H60N14O10S 820.4338 NA PeJP NA NA +PJ044077 LLKMMW C39H64N8O7S2 820.434 NA PeJP NA NA +PJ044078 GQKFRW C39H56N12O8 820.4344 NA PeJP NA NA +PJ044079 GGAKFRW C39H56N12O8 820.4345 NA PeJP NA NA +PJ044080 STLLKEM C35H64N8O12S 820.4365 NA PeJP NA NA +PJ044081 TCKKRW C36H60N12O8S 820.4378 NA PeJP NA NA +PJ044082 SSSKKER C32H60N12O13 820.4403 NA PeJP NA NA +PJ044083 QKKMMR C33H64N12O8S2 820.4412 NA PeJP NA NA +PJ044084 GNRRRY C33H56N16O9 820.4417 NA PeJP NA NA +PJ044085 GTTTKKW C37H60N10O11 820.4443 NA PeJP NA NA +PJ044086 GGGGGLLKY C37H60N10O11 820.4444 NA PeJP NA NA +MJ095440 6,7-Epoxyergostane-1,3,5,22,24,25-hexol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C40H68O17 820.44565 NA MeJP NA NA +MJ095441 Furostane-2,3,5,6,22,26-hexol, 22-Me ether, 2,26-di-O-?-D-glucopyranoside C40H68O17 820.44565 NA MeJP NA NA +MJ095442 Pregnane-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-3-O-methyl-?-D-fucopyranoside] C40H68O17 820.44565 NA MeJP NA NA +MJ095443 Pregnane-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-3-O-methyl-?-D-fucopyranoside] C40H68O17 820.44565 NA MeJP NA NA +PJ044087 PKHHFR C38H56N14O7 820.4457 NA PeJP NA NA +PJ044088 STTLLMR C34H64N10O11S 820.4477 NA PeJP NA NA +PJ044089 VLLQYW C42H60N8O9 820.4484 NA PeJP NA NA +PJ044090 LKMHHR C35H60N14O7S 820.449 NA PeJP NA NA +PJ044091 SSSTKRR C31H60N14O12 820.4515 NA PeJP NA NA +PJ044092 GPLLKMY C39H64N8O9S 820.4517 NA PeJP NA NA +PJ044093 CKKMRR C32H64N14O7S2 820.4524 NA PeJP NA NA +PJ044094 SSSTTLLL C35H64N8O14 820.4542 NA PeJP NA NA +PJ044095 SVLLKMM C36H68N8O9S2 820.4551 NA PeJP NA NA +PJ044096 VVERRY C36H60N12O10 820.4556 NA PeJP NA NA +PJ044097 GTTKKMR C33H64N12O10S 820.4589 NA PeJP NA NA +PJ044098 ALLRYW C41H60N10O8 820.4596 NA PeJP NA NA +MJ095444 Pouoside C; 8-Acetoxy, 2'-Ac C44H68O14 820.460906 NA MeJP NA NA +MJ095445 Pouoside C; 8-Acetoxy, 6'-Ac C44H68O14 820.460906 NA MeJP NA NA +PJ044099 TKKKMW C38H64N10O8S 820.463 NA PeJP NA NA +PJ044100 STTKKKE C34H64N10O13 820.4655 NA PeJP NA NA +PJ044101 GVKKKMM C35H68N10O8S2 820.4663 NA PeJP NA NA +PJ044102 AQKRRY C35H60N14O9 820.4668 NA PeJP NA NA +PJ044103 GVLLKEY C39H64N8O11 820.4695 NA PeJP NA NA +PJ044104 GKKFRW C40H60N12O7 820.4708 NA PeJP NA NA +PJ044105 VLMFRR C37H64N12O7S 820.4742 NA PeJP NA NA +PJ044106 STTTKKR C33H64N12O12 820.4767 NA PeJP NA NA +PJ044107 KKKMMR C34H68N12O7S2 820.4776 NA PeJP NA NA +PJ044108 PQKHRR C34H60N16O8 820.478 NA PeJP NA NA +PJ044109 LLKERY C38H64N10O10 820.4807 NA PeJP NA NA +MJ095446 Stigmastane-3,4,6,8,15,16,29-heptol, 29-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-galactofuranoside] C41H72O16 820.482036 NA MeJP NA NA +MJ095447 Stigmastane-3,6,8,15,16,29-hexol, 29-O-[?-D-Galactofuranosyl-(1?6)-?-D-galactofuranoside] C41H72O16 820.482036 NA MeJP NA NA +PJ044110 SSLKKKM C35H68N10O10S 820.4841 NA PeJP NA NA +PJ044111 VLLKYW C43H64N8O8 820.4847 NA PeJP NA NA +PJ044112 PPPVLLW C43H64N8O8 820.4848 NA PeJP NA NA +PJ044113 GLLLKMF C40H68N8O8S 820.4881 NA PeJP NA NA +PJ044114 TLLRRY C37H64N12O9 820.492 NA PeJP NA NA +MJ095448 Okadaic acid; 35(R)-Methyl, 14,15-dihydro C45H72O13 820.497292 NA MeJP NA NA +MJ095449 Oligomycin E C45H72O13 820.497292 NA MeJP NA NA +PJ044115 AKKRRY C36H64N14O8 820.5032 NA PeJP NA NA +PJ044116 ATLLLKY C40H68N8O10 820.5059 NA PeJP NA NA +PJ044117 PKKHRR C35H64N16O7 820.5144 NA PeJP NA NA +PJ044118 AALKKKY C39H68N10O9 820.5171 NA PeJP NA NA +HMDB10629 PG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H77O10P 820.525452 NA HMDB2010 NA NA +HMDB10644 PG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H77O10P 820.525452 NA HMDB2010 NA NA +HMDB10657 PG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C46H77O10P 820.525452 NA HMDB2010 NA NA +HMDB10658 PG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C46H77O10P 820.525452 NA HMDB2010 NA NA +HMDB10671 PG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) C46H77O10P 820.525452 NA HMDB2010 NA NA +HMDB10686 PG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) C46H77O10P 820.525452 NA HMDB2010 NA NA +PJ044119 VKKKRY C38H68N12O8 820.5283 NA PeJP NA NA +MJ095450 Macrotetrolide B C46H76O12 820.533677 NA MeJP NA NA +MJ095451 1,2-Di-O-acylglycerols; Glycerol 1-(9E-octadecenoate) 2-hexadecanoate, 3-O-(6-Deoxy-6-sulfo-?-D-glucopyranoside) C43H80O12S 820.537048 NA MeJP NA NA +PJ044120 GPPVLLLL C41H72N8O9 820.5423 NA PeJP NA NA +PJ044121 PPLLLLR C40H72N10O8 820.5535 NA PeJP NA NA +EUR1053 SM(d18:0/20:0) [M-H+acetate]- C43H89N2O6P 820.666926 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1053 SM(d18:0/20:0) [M-H+acetate]- C43H89N2O6P 820.666926 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1053 SM(d18:0/20:0) [M-H+acetate]- C43H89N2O6P 820.666926 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1053 SM(d18:0/20:0) [M-H+acetate]- C43H89N2O6P 820.666926 masses lipides attendues Inhousejuil11 NA NA +MJ095452 Bisconicasterone C58H92O2 820.709732 NA MeJP NA NA +MJ095453 20(29)-Lupen-3-ol, (6-Heptadecyl-2,2-dimethyl-1,3-dioxane-4-acetyl) C55H96O4 820.730861 NA MeJP NA NA +MJ095454 20(29)-Lupen-3-ol, 3-Hydroxyhexacosanoyl C56H100O3 820.767247 NA MeJP NA NA +MJ095455 Iohexol C19H26I3N3O9 820.880309 NA MeJP NA NA +MJ095456 Propenoyl-CoA C24H38N7O17P3S 821.125773 NA MeJP NA NA +MetaCyc04153 acrylyl-CoA [acryloyl-CoA;acryloyl-coenzyme A;acrylyl-CoA;] C24H38N7O17P3S1 821.125773 5776-58-9 metacyc NA NA +HMDB02307 Acrylyl-CoA C24H38N7O17P3S 821.12579 http://www.hmdb.ca/metabolites/HMDB02307 HMDB NA NA +HMDB02307 Acrylyl-CoA C24H38N7O17P3S 821.12579 HMDB02307 PFEM_hmdb_metabocards_official NA NA +HMDB02307 Acrylyl-CoA C24H38N7O17P3S 821.125793 NA HMDB2010 NA NA +C00894 Propenoyl-CoA C24H38N7O17P3S 821.1258 NA KEGG NA NA +C00895 RNA (poly(A)) C20H25N10O10P 821.1258 NA KEGG NA NA +FL7AAIGLS002 Malvidin 3-glucoside-5-(6'''-malonyl-2'''-sulfatoglucoside) C32H37O23S 821.14463 160206-03-1 knapsack NA NA +PJ044122 GCCCCCCQ C25H43N9O10S6 821.1458 NA PeJP NA NA +PJ044123 SSCCCCCN C25H43N9O12S5 821.1635 NA PeJP NA NA +PJ044124 CCCCEMM C27H47N7O10S6 821.1709 NA PeJP NA NA +PJ044125 GCCCCCCK C26H47N9O9S6 821.1821 NA PeJP NA NA +PJ044126 CCCCDEF C30H43N7O12S4 821.1853 NA PeJP NA NA +PJ044127 CCDDDDH C28H39N9O16S2 821.1957 NA PeJP NA NA +PJ044128 CCCCNNY C29H43N9O11S4 821.1965 NA PeJP NA NA +PJ044129 SCCCDEY C30H43N7O14S3 821.203 NA PeJP NA NA +PJ044130 PCCCCMY C31H47N7O9S5 821.2039 NA PeJP NA NA +PJ044131 TCCCMMM C28H51N7O9S6 821.2073 NA PeJP NA NA +PJ044132 GCCDMMY C31H47N7O11S4 821.2217 NA PeJP NA NA +PJ044133 CCCNNEH C28H43N11O12S3 821.2255 NA PeJP NA NA +PJ044134 NNDDDDD C28H39N9O20 821.2312 NA PeJP NA NA +PJ044135 SCDDDMH C29H43N9O15S2 821.232 NA PeJP NA NA +PJ044136 PCCCEMH C30H47N9O10S4 821.2329 NA PeJP NA NA +PJ044137 GCCDDFY C34H43N7O13S2 821.2361 NA PeJP NA NA +PJ044138 PCCCCFF C35H47N7O8S4 821.2369 NA PeJP NA NA +PJ044139 PDDDDDM C30H43N7O18S 821.2386 NA PeJP NA NA +PJ044140 SSCCEMY C31H47N7O13S3 821.2394 NA PeJP NA NA +PJ044141 GCCMMMF C32H51N7O8S5 821.2403 NA PeJP NA NA +PJ044142 GCCCNHW C32H43N11O9S3 821.2408 NA PeJP NA NA +PJ044143 GSSCCNDH C28H43N11O14S2 821.2433 NA PeJP NA NA +PJ044144 GSPCNDDD C29H43N9O17S 821.2498 NA PeJP NA NA +PJ044145 GCDEMMH C30H47N9O12S3 821.2507 NA PeJP NA NA +PJ044146 GSCDDYY C34H43N7O15S 821.2538 NA PeJP NA NA +PJ044147 APCCCYY C35H47N7O10S3 821.2547 NA PeJP NA NA +PJ044148 GDDEEEE C30H43N7O20 821.2563 NA PeJP NA NA +PJ044149 ATCCMMY C32H51N7O10S4 821.258 NA PeJP NA NA +PJ044150 GSCMMMY C32H51N7O10S4 821.2581 NA PeJP NA NA +PJ044151 CNNNNDE C28H43N11O16S 821.261 NA PeJP NA NA +PJ044152 GGGGGGCNDE C28H43N11O16S 821.2611 NA PeJP NA NA +PJ044153 SCCNQMH C29H47N11O11S3 821.2619 NA PeJP NA NA +PJ044154 GCDDEHF C33H43N9O14S 821.2651 NA PeJP NA NA +PJ044155 CDMMHW C34H47N9O9S3 821.2659 NA PeJP NA NA +PJ044156 SNNDDEE C29H43N9O19 821.2675 NA PeJP NA NA +PJ044157 GGSNDDEE C29H43N9O19 821.2676 NA PeJP NA NA +PJ044158 SSDDMMH C30H47N9O14S2 821.2684 NA PeJP NA NA +PJ044159 PTCCMMH C31H51N9O9S4 821.2693 NA PeJP NA NA +PJ044160 GCCEHHH C31H43N13O10S2 821.2698 NA PeJP NA NA +PJ044161 DDEEEW C34H43N7O17 821.2716 NA PeJP NA NA +PJ044162 CNEMYY C35H47N7O12S2 821.2724 NA PeJP NA NA +PJ044163 SCCCNHR C28H47N13O10S3 821.2731 NA PeJP NA NA +MJ095457 Perdeacylhypoglaunine; 1,2,6,8,9,14-Hexa-Ac C38H47NO19 821.274228 NA MeJP NA NA +MJ095458 Perdeacylwilfortrine; 1,2,6,8,9,14-Hexa-Ac C38H47NO19 821.274228 NA MeJP NA NA +PJ044164 PTDDDEM C31H47N7O17S 821.2749 NA PeJP NA NA +PJ044165 SPDDEEM C31H47N7O17S 821.275 NA PeJP NA NA +PJ044166 SSTCMMY C32H51N7O12S3 821.2758 NA PeJP NA NA +PJ044167 GCNNNDW C32H43N11O13S 821.2763 NA PeJP NA NA +PJ044168 GSSNNNDD C28H43N11O18 821.2788 NA PeJP NA NA +PJ044169 ASSSCCQH C29H47N11O13S2 821.2796 NA PeJP NA NA +PJ044170 PCCNDDR C29H47N11O13S2 821.2797 NA PeJP NA NA +PJ044171 CDDHFW C37H43N9O11S 821.2803 NA PeJP NA NA +PJ044172 GSNDDEW C33H43N9O16 821.2828 NA PeJP NA NA +PJ044173 GPCNDMW C34H47N9O11S2 821.2837 NA PeJP NA NA +PJ044174 CCHHHW C35H43N13O7S2 821.285 NA PeJP NA NA +PJ044175 GNNEEEM C30H47N9O16S 821.2862 NA PeJP NA NA +PJ044176 ASDMMMH C31H51N9O11S3 821.287 NA PeJP NA NA +PJ044177 GSEMMMH C31H51N9O11S3 821.2871 NA PeJP NA NA +PJ044178 SSCDHHH C31H43N13O12S 821.2875 NA PeJP NA NA +PJ044179 GCMYYW C39H47N7O9S2 821.2877 NA PeJP NA NA +PJ044180 GSSDMYY C35H47N7O14S 821.2902 NA PeJP NA NA +PJ044181 CQMMFY C36H51N7O9S3 821.2911 NA PeJP NA NA +PJ044182 GTEEEEE C31H47N7O19 821.2927 NA PeJP NA NA +PJ044183 GPEEEMM C32H51N7O14S2 821.2936 NA PeJP NA NA +PJ044184 SPDDDHH C32H43N11O15 821.294 NA PeJP NA NA +PJ044185 GCNNMHF C33H47N11O10S2 821.2949 NA PeJP NA NA +PJ044186 GNDDDMR C29H47N11O15S 821.2974 NA PeJP NA NA +PJ044187 SNDDWW C37H43N9O13 821.2981 NA PeJP NA NA +PJ044188 GSPPCCCR C30H51N11O10S3 821.2983 NA PeJP NA NA +PJ044189 PCCQWW C38H47N9O8S2 821.2989 NA PeJP NA NA +PJ044190 NNEEMW C34H47N9O13S 821.3014 NA PeJP NA NA +PJ044191 GGGGEEMW C34H47N9O13S 821.3015 NA PeJP NA NA +PJ044192 SMMMHW C35H51N9O8S3 821.3023 NA PeJP NA NA +PJ044193 SSNQEEE C30H47N9O18 821.3039 NA PeJP NA NA +PJ044194 GGGGSTEEE C30H47N9O18 821.304 NA PeJP NA NA +PJ044195 SSTEMMH C31H51N9O13S2 821.3048 NA PeJP NA NA +PJ044196 GNNDEHH C31H43N13O14 821.3053 NA PeJP NA NA +PJ044197 STCYYW C39H47N7O11S 821.3054 NA PeJP NA NA +PJ044198 GGPCYYY C39H47N7O11S 821.3055 NA PeJP NA NA +PJ044199 AAMMMMH C32H55N9O8S4 821.3057 NA PeJP NA NA +PJ044200 ASCMHHH C32H47N13O9S2 821.3061 NA PeJP NA NA +PJ044201 GTCMHHH C32H47N13O9S2 821.3062 NA PeJP NA NA +PJ044202 SSSSEYY C35H47N7O16 821.3079 NA PeJP NA NA +PJ044203 TEEEEW C35H47N7O16 821.308 NA PeJP NA NA +PJ044204 SCNNNDR C28H47N13O14S 821.3086 NA PeJP NA NA +PJ044205 GGSCNNDR C28H47N13O14S 821.3087 NA PeJP NA NA +PJ044206 PEEMMW C36H51N7O11S2 821.3088 NA PeJP NA NA +PJ044207 GVEEEEM C32H51N7O16S 821.3113 NA PeJP NA NA +PJ044208 SPPEMMM C33H55N7O11S3 821.3122 NA PeJP NA NA +PJ044209 CNDERW C33H47N11O12S 821.3127 NA PeJP NA NA +PJ044210 SSNDDER C29H47N11O17 821.3152 NA PeJP NA NA +PJ044211 SPCNDMR C30H51N11O12S2 821.316 NA PeJP NA NA +PJ044212 GGSPCDMR C30H51N11O12S2 821.3161 NA PeJP NA NA +PJ044213 GNEMWW C38H47N9O10S 821.3167 NA PeJP NA NA +PJ044214 GSSQEEW C34H47N9O15 821.3192 NA PeJP NA NA +PJ044215 GSPNMMW C35H51N9O10S2 821.3201 NA PeJP NA NA +PJ044216 NNDHHW C35H43N13O11 821.3205 NA PeJP NA NA +PJ044217 GGGGDHHW C35H43N13O11 821.3206 NA PeJP NA NA +PJ044218 GCFFYW C43H47N7O8S 821.3207 NA PeJP NA NA +PJ044219 EEEEMR C31H51N9O15S 821.3226 NA PeJP NA NA +PJ044220 PDEEFW C39H47N7O13 821.3232 NA PeJP NA NA +PJ044221 ATTMMMH C32H55N9O10S3 821.3234 NA PeJP NA NA +PJ044222 GGGAAPMMM C32H55N9O10S3 821.3235 NA PeJP NA NA +PJ044223 SSSMHHH C32H47N13O11S 821.3239 NA PeJP NA NA +PJ044224 CQMFFF C40H51N7O8S2 821.3241 NA PeJP NA NA +PJ044225 VEEEMW C36H51N7O13S 821.3266 NA PeJP NA NA +PJ044226 GCNNQMR C29H51N13O11S2 821.3273 NA PeJP NA NA +PJ044227 CKMMFY C37H55N7O8S3 821.3275 NA PeJP NA NA +PJ044228 GCDRWW C37H47N11O9S 821.3279 NA PeJP NA NA +PJ044229 SSLEEEE C32H51N7O18 821.3291 NA PeJP NA NA +PJ044230 SPVEEMM C33H55N7O13S2 821.33 NA PeJP NA NA +PJ044231 GSSDDRW C33H47N11O14 821.3304 NA PeJP NA NA +PJ044232 GGGGGGGGSPY C33H47N11O14 821.3305 NA PeJP NA NA +PJ044233 PPCLMMM C34H59N7O8S4 821.3308 NA PeJP NA NA +PJ044234 GPTCCRW C34H51N11O9S2 821.3313 NA PeJP NA NA +PJ044235 NMWWW C42H47N9O7S 821.3319 NA PeJP NA NA +PJ044236 GGMWWW C42H47N9O7S 821.332 NA PeJP NA NA +PJ044237 GSNEEMR C30H51N11O14S 821.3338 NA PeJP NA NA +PJ044238 SSQEWW C38H47N9O12 821.3344 NA PeJP NA NA +MJ095459 Pacidamycin 7 C38H47N9O12 821.334418 NA MeJP NA NA +PJ044239 GGPNEYW C38H47N9O12 821.3345 NA PeJP NA NA +PJ044240 GPCQMMR C31H55N11O9S3 821.3347 NA PeJP NA NA +PJ044241 PCCKWW C39H51N9O7S2 821.3353 NA PeJP NA NA +PJ044242 NDKEMW C35H51N9O12S 821.3378 NA PeJP NA NA +PJ044243 QYYYW C43H47N7O10 821.3385 NA PeJP NA NA +PJ044244 NMHHHF C36H47N13O8S 821.3392 NA PeJP NA NA +PJ044245 SSNKEEE C31H51N9O17 821.3403 NA PeJP NA NA +PJ044246 TTTTMMH C32H55N9O12S2 821.3412 NA PeJP NA NA +PJ044247 DEEHHR C32H47N13O13 821.3417 NA PeJP NA NA +PJ044248 PPEMYW C40H51N7O10S 821.3418 NA PeJP NA NA +PJ044249 SSTTTYY C36H51N7O15 821.3443 NA PeJP NA NA +PJ044250 GPVEEEY C36H51N7O15 821.3444 NA PeJP NA NA +PJ044251 GSCDERR C29H51N13O13S 821.345 NA PeJP NA NA +PJ044252 GGGGGGSSMR C29H51N13O13S 821.3451 NA PeJP NA NA +PJ044253 SKMMYY C37H55N7O10S2 821.3452 NA PeJP NA NA +PJ044254 NNNQFW C37H47N11O11 821.3457 NA PeJP NA NA +PJ044255 GPCCMRR C30H55N13O8S3 821.3459 NA PeJP NA NA +PJ044256 ATLEEEM C33H55N7O15S 821.3477 NA PeJP NA NA +PJ044257 APLEMMM C34H59N7O10S3 821.3486 NA PeJP NA NA +PJ044258 SNEMRW C34H51N11O11S 821.349 NA PeJP NA NA +PJ044259 GGSEMRW C34H51N11O11S 821.3491 NA PeJP NA NA +PJ044260 GSTWWW C42H47N9O9 821.3497 NA PeJP NA NA +PJ044261 SSSQEER C30H51N11O16 821.3515 NA PeJP NA NA +PJ044262 GGSSTEER C30H51N11O16 821.3516 NA PeJP NA NA +PJ044263 QQEMMR C31H55N11O11S2 821.3524 NA PeJP NA NA +PJ044264 GGGGGGAKMM C31H55N11O11S2 821.3525 NA PeJP NA NA +PJ044265 GSNDHHR C31H47N15O12 821.3529 NA PeJP NA NA +PJ044266 GDKMWW C39H51N9O9S 821.3531 NA PeJP NA NA +PJ044267 GSSKEEW C35H51N9O14 821.3556 NA PeJP NA NA +PJ044268 VQQMMW C36H55N9O9S2 821.3564 NA PeJP NA NA +PJ044269 GGLQMMW C36H55N9O9S2 821.3565 NA PeJP NA NA +PJ044270 SQQHHW C36H47N13O10 821.3569 NA PeJP NA NA +PJ044271 ASQKEEM C32H55N9O14S 821.3589 NA PeJP NA NA +PJ044272 GTQKEEM C32H55N9O14S 821.359 NA PeJP NA NA +PJ044273 PVEEYW C40H51N7O12 821.3596 NA PeJP NA NA +PJ044274 GPQKMMM C33H59N9O9S3 821.3598 NA PeJP NA NA +PJ044275 SCDRRW C33H51N13O10S 821.3603 NA PeJP NA NA +PJ044276 CKMFFF C41H55N7O7S2 821.3605 NA PeJP NA NA +PJ044277 SSSDDRR C29H51N13O15 821.3628 NA PeJP NA NA +PJ044278 SPPVEMY C37H55N7O12S 821.363 NA PeJP NA NA +PJ044279 NDMMRR C30H55N13O10S2 821.3637 NA PeJP NA NA +PJ044280 GSMRWW C38H51N11O8S 821.3643 NA PeJP NA NA +PJ044281 HFFWW C46H47N9O6 821.365 NA PeJP NA NA +PJ044282 TTTLEEE C33H55N7O17 821.3655 NA PeJP NA NA +PJ044283 AVLEEMM C34H59N7O12S2 821.3663 NA PeJP NA NA +PJ044284 GLLEEMM C34H59N7O12S2 821.3664 NA PeJP NA NA +PJ044285 GSSTERW C34H51N11O13 821.3668 NA PeJP NA NA +PJ044286 AQMMRW C35H55N11O8S2 821.3677 NA PeJP NA NA +PJ044287 GPTHHHH C35H47N15O9 821.3682 NA PeJP NA NA +PJ044288 GSDKEMR C31H55N11O13S 821.3702 NA PeJP NA NA +PJ044289 SSKEWW C39H51N9O11 821.3708 NA PeJP NA NA +PJ044290 GGGGLEFW C39H51N9O11 821.3709 NA PeJP NA NA +PJ044291 GPCKMMR C32H59N11O8S3 821.3711 NA PeJP NA NA +PJ044292 NQMHHR C32H51N15O9S 821.3715 NA PeJP NA NA +PJ044293 TQKEMW C36H55N9O11S 821.3742 NA PeJP NA NA +PJ044294 KYYYW C44H51N7O9 821.3748 NA PeJP NA NA +PJ044295 PPPYYW C44H51N7O9 821.3749 NA PeJP NA NA +PJ044296 SSDKKEE C32H55N9O16 821.3767 NA PeJP NA NA +PJ044297 GVQKEMM C33H59N9O11S2 821.3776 NA PeJP NA NA +PJ044298 NNQQRY C33H51N13O12 821.378 NA PeJP NA NA +PJ044299 GGGGQQRY C33H51N13O12 821.3781 NA PeJP NA NA +PJ044300 PLEMFW C41H55N7O9S 821.3782 NA PeJP NA NA +PJ044301 ACMRRW C34H55N13O7S2 821.3789 NA PeJP NA NA +MJ095460 Formestin A; 1'''-Deoxy C37H55N7O14 821.380699 NA MeJP NA NA +PJ044302 APTLEEY C37H55N7O14 821.3807 NA PeJP NA NA +PJ044303 GSSEMRR C30H55N13O12S 821.3814 NA PeJP NA NA +PJ044304 LLEMMW C38H59N7O9S2 821.3816 NA PeJP NA NA +PJ044305 SSTRWW C38H51N11O10 821.3821 NA PeJP NA NA +PJ044306 CNHHRR C31H51N17O8S 821.3828 NA PeJP NA NA +PJ044307 STLLEEM C34H59N7O14S 821.3841 NA PeJP NA NA +PJ044308 SPLLMMM C35H63N7O9S3 821.385 NA PeJP NA NA +PJ044309 SDKMRW C35H55N11O10S 821.3854 NA PeJP NA NA +PJ044310 GGGSCKKW C35H55N11O10S 821.3855 NA PeJP NA NA +PJ044311 GVQFWW C43H51N9O8 821.3861 NA PeJP NA NA +PJ044312 SSSKEER C31H55N11O15 821.3879 NA PeJP NA NA +PJ044313 GGGGGSTTTK C31H55N11O15 821.388 NA PeJP NA NA +PJ044314 QKEMMR C32H59N11O10S2 821.3888 NA PeJP NA NA +PJ044315 GSTQHHR C32H51N15O11 821.3893 NA PeJP NA NA +PJ044316 ATKMWW C40H55N9O8S 821.3895 NA PeJP NA NA +PJ044317 SSTTLQW C36H55N9O13 821.3919 NA PeJP NA NA +PJ044318 GTTTKEW C36H55N9O13 821.392 NA PeJP NA NA +PJ044319 VQKMMW C37H59N9O8S2 821.3928 NA PeJP NA NA +PJ044320 SQKHHW C37H51N13O9 821.3933 NA PeJP NA NA +PJ044321 GTKKEEM C33H59N9O13S 821.3953 NA PeJP NA NA +PJ044322 VLEEFW C41H55N7O11 821.396 NA PeJP NA NA +PJ044323 GPKKMMM C34H63N9O8S3 821.3962 NA PeJP NA NA +PJ044324 SSMRRW C34H55N13O9S 821.3967 NA PeJP NA NA +PJ044325 QFRWW C42H51N11O7 821.3973 NA PeJP NA NA +PJ044326 SSSTERR C30H55N13O14 821.3992 NA PeJP NA NA +PJ044327 PPTTLMY C38H59N7O11S 821.3993 NA PeJP NA NA +PJ044328 GPLLEMY C38H59N7O11S 821.3994 NA PeJP NA NA +PJ044329 TQMMRR C31H59N13O9S2 821.4 NA PeJP NA NA +PJ044330 GATMMRR C31H59N13O9S2 821.4001 NA PeJP NA NA +PJ044331 VLMHHW C39H55N11O7S 821.4007 NA PeJP NA NA +PJ044332 SVLLEMM C35H63N7O11S2 821.4027 NA PeJP NA NA +PJ044333 SSSSLRW C35H55N11O12 821.4032 NA PeJP NA NA +PJ044334 AKMMRW C36H59N11O7S2 821.4041 NA PeJP NA NA +PJ044335 AALHHHH C36H51N15O8 821.4045 NA PeJP NA NA +PJ044336 GVVHHHH C36H51N15O8 821.4046 NA PeJP NA NA +PJ044337 GTTKEMR C32H59N11O12S 821.4066 NA PeJP NA NA +PJ044338 TTTKWW C40H55N9O10 821.4072 NA PeJP NA NA +PJ044339 GPPCHRR C33H55N15O8S 821.4079 NA PeJP NA NA +PJ044340 TKKEMW C37H59N9O10S 821.4106 NA PeJP NA NA +PJ044341 PPLFYW C45H55N7O8 821.4112 NA PeJP NA NA +PJ044342 TCMRRR C30H59N15O8S2 821.4113 NA PeJP NA NA +PJ044343 STTKKEE C33H59N9O15 821.4131 NA PeJP NA NA +PJ044344 GVKKEMM C34H63N9O10S2 821.414 NA PeJP NA NA +PJ044345 AQERRY C34H55N13O11 821.4144 NA PeJP NA NA +PJ044346 GGGGGAKRY C34H55N13O11 821.4145 NA PeJP NA NA +PJ044347 PLLMYW C42H59N7O8S 821.4146 NA PeJP NA NA +PJ044348 VHHHHR C35H51N17O7 821.4158 NA PeJP NA NA +PJ044349 GVLLEEY C38H59N7O13 821.4171 NA PeJP NA NA +PJ044350 GTTTMRR C31H59N13O11S 821.4178 NA PeJP NA NA +PJ044351 APLLMMF C39H63N7O8S2 821.418 NA PeJP NA NA +PJ044352 GLQRYW C39H55N11O9 821.4185 NA PeJP NA NA +PJ044353 ALLLMMM C36H67N7O8S3 821.4214 NA PeJP NA NA +PJ044354 TTKMRW C36H59N11O9S 821.4218 NA PeJP NA NA +PJ044355 GVKFWW C44H55N9O7 821.4225 NA PeJP NA NA +PJ044356 STTTKER C32H59N11O14 821.4243 NA PeJP NA NA +PJ044357 KKEMMR C33H63N11O9S2 821.4252 NA PeJP NA NA +PJ044358 GDRRRY C33H55N15O10 821.4257 NA PeJP NA NA +PJ044359 LKMHFF C41H59N9O7S 821.4259 NA PeJP NA NA +PJ044360 SSTTLKW C37H59N9O12 821.4283 NA PeJP NA NA +PJ044361 LLEERY C37H59N9O12 821.4284 NA PeJP NA NA +PJ044362 VKKMMW C38H63N9O7S2 821.4292 NA PeJP NA NA +PJ044363 AARRYW C38H55N13O8 821.4297 NA PeJP NA NA +PJ044364 SSLKKEM C34H63N9O12S 821.4317 NA PeJP NA NA +PJ044365 VLLEYW C42H59N7O10 821.4324 NA PeJP NA NA +PJ044366 PCKRRY C35H59N13O8S 821.4331 NA PeJP NA NA +PJ044367 KFRWW C43H55N11O6 821.4337 NA PeJP NA NA +PJ044368 STTTTRR C31H59N13O13 821.4355 NA PeJP NA NA +PJ044369 SPVLLMY C39H63N7O10S 821.4357 NA PeJP NA NA +PJ044370 GLLLEMF C39H63N7O10S 821.4358 NA PeJP NA NA +PJ044371 TKMMRR C32H63N13O8S2 821.4364 NA PeJP NA NA +PJ044372 TTLLLMM C36H67N7O10S2 821.4391 NA PeJP NA NA +PJ044373 VQKERY C36H59N11O11 821.4396 NA PeJP NA NA +PJ044374 APHRRW C37H55N15O7 821.4409 NA PeJP NA NA +PJ044375 SSTLKMR C33H63N11O11S 821.4429 NA PeJP NA NA +PJ044376 GGSSKKKM C33H63N11O11S 821.443 NA PeJP NA NA +PJ044377 PTKKYW C41H59N9O9 821.4436 NA PeJP NA NA +PJ044378 GMFRRR C34H59N15O7S 821.4443 NA PeJP NA NA +PJ044379 GPVKKMY C38H63N9O9S 821.447 NA PeJP NA NA +PJ044380 PLLFFW C46H59N7O7 821.4476 NA PeJP NA NA +PJ044381 SSSSTLLK C34H63N9O14 821.4495 NA PeJP NA NA +PJ044382 SVVKKMM C35H67N9O9S2 821.4503 NA PeJP NA NA +PJ044383 ATLKKMM C35H67N9O9S2 821.4504 NA PeJP NA NA +PJ044384 AKERRY C35H59N13O10 821.4508 NA PeJP NA NA +PJ044385 LLLMFW C43H63N7O7S 821.451 NA PeJP NA NA +PJ044386 ATLLLEY C39H63N7O12 821.4535 NA PeJP NA NA +PJ044387 GLKRYW C40H59N11O8 821.4548 NA PeJP NA NA +PJ044388 GPPPLRW C40H59N11O8 821.4549 NA PeJP NA NA +PJ044389 PKKMRY C37H63N11O8S 821.4582 NA PeJP NA NA +PJ044390 GSSSTKKK C33H63N11O13 821.4607 NA PeJP NA NA +PJ044391 GCKKKKM C34H67N11O8S2 821.4616 NA PeJP NA NA +PJ044392 ATRRRY C34H59N15O9 821.4621 NA PeJP NA NA +PJ044393 AALKKEY C38H63N9O11 821.4647 NA PeJP NA NA +PJ044394 AAPPPLKE C38H63N9O11 821.4648 NA PeJP NA NA +PJ044395 PVKHRW C39H59N13O7 821.4661 NA PeJP NA NA +PJ044396 TTTLKKM C35H67N9O11S 821.4681 NA PeJP NA NA +PJ044397 GPLLLFY C43H63N7O9 821.4688 NA PeJP NA NA +PJ044398 CLKFRR C36H63N13O7S 821.4695 NA PeJP NA NA +PJ044399 GLLLLMY C40H67N7O9S 821.4721 NA PeJP NA NA +PJ044400 PTHRRR C33H59N17O8 821.4733 NA PeJP NA NA +PJ044401 VKKERY C37H63N11O10 821.476 NA PeJP NA NA +PJ044402 STCKKKK C34H67N11O10S 821.4793 NA PeJP NA NA +PJ044403 VVKKYW C42H63N9O8 821.48 NA PeJP NA NA +PJ044404 GVLKKMF C39H67N9O8S 821.4834 NA PeJP NA NA +PJ044405 SLKRRY C36H63N13O9 821.4872 NA PeJP NA NA +PJ044406 STLLLLY C40H67N7O11 821.4899 NA PeJP NA NA +PJ044407 PKKFFR C41H63N11O7 821.4912 NA PeJP NA NA +MJ095461 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?4)-2-acetamido-2-deoxy-?-D-glucopyranoside] C44H71NO13 821.492541 NA MeJP NA NA +MJ095462 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?6)-2-acetamido-2-deoxy-?-D-glucopyranoside] C44H71NO13 821.492541 NA MeJP NA NA +PJ044408 LKKMFR C38H67N11O7S 821.4946 NA PeJP NA NA +PJ044409 LLQHRR C35H63N15O8 821.4984 NA PeJP NA NA +PJ044410 GALLHRR C35H63N15O8 821.4985 NA PeJP NA NA +PJ044411 GTLLKKY C39H67N9O10 821.5011 NA PeJP NA NA +PJ044412 AVLLLFF C44H67N7O8 821.5051 NA PeJP NA NA +PJ044413 GLLLLFF C44H67N7O8 821.5052 NA PeJP NA NA +PJ044414 VVHRRR C34H63N17O7 821.5097 NA PeJP NA NA +PJ044415 QKKKKY C38H67N11O9 821.5124 NA PeJP NA NA +PJ044416 APPLLRR C37H67N13O8 821.5236 NA PeJP NA NA +MJ095463 Meridamycin C45H75NO12 821.528926 NA MeJP NA NA +MJ095464 Scytophycin A C45H75NO12 821.528926 NA MeJP NA NA +MJ095465 Scytophycin C; 16-Hydroxy C45H75NO12 821.528926 NA MeJP NA NA +MJ095466 Scytophycin C; 34-Hydroxy C45H75NO12 821.528926 NA MeJP NA NA +PJ044417 LLKHRR C36H67N15O7 821.5348 NA PeJP NA NA +PJ044418 TLLLLLH C40H71N9O9 821.5375 NA PeJP NA NA +PJ044419 KKKKKY C39H71N11O8 821.5487 NA PeJP NA NA +HMDB09212 PE(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB09241 PE(20:0/22:5(4Z,7Z,10Z,13Z,16Z)) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB09242 PE(20:0/22:5(7Z,10Z,13Z,16Z,19Z)) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB09273 PE(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB09338 PE(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB09371 PE(20:3(8Z,11Z,14Z)/22:2(13Z,16Z)) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB09403 PE(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB09436 PE(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB09468 PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:0) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB09500 PE(22:0/20:5(5Z,8Z,11Z,14Z,17Z)) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB09531 PE(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB09532 PE(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB09562 PE(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB09563 PE(22:2(13Z,16Z)/20:3(8Z,11Z,14Z)) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB09593 PE(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB09625 PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:0) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB09658 PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:0) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB09756 PE(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)) C47H84NO8P 821.593445 NA HMDB2010 NA NA +HMDB08653 PC(22:4(7Z,10Z,13Z,16Z)/P-18:0) C48H88NO7P 821.629822 NA HMDB2010 NA NA +HMDB11259 PC(P-18:0/22:4(7Z,10Z,13Z,16Z)) C48H88NO7P 821.629822 NA HMDB2010 NA NA +HMDB13444 PC(o-20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C48H88NO7P 821.629822 NA HMDB2010 NA NA +MJ095467 Tetraiodophenolphthalein C20H10I4O4 821.675782 NA MeJP NA NA +PJ044420 GCCCCCCE C25H42N8O11S6 822.1298 NA PeJP NA NA +PJ044421 CCCCCCW C29H42N8O8S6 822.145 NA PeJP NA NA +PJ044422 SSCCCCCD C25H42N8O13S5 822.1475 NA PeJP NA NA +PJ044423 GTCCCCCM C26H46N8O10S6 822.1662 NA PeJP NA NA +PJ044424 CCCCNDY C29H42N8O12S4 822.1805 NA PeJP NA NA +PJ044425 SSSCCCCM C26H46N8O12S5 822.1839 NA PeJP NA NA +PJ044426 CCCCNMF C30H46N8O9S5 822.1992 NA PeJP NA NA +PJ044427 CCCNDEH C28H42N10O13S3 822.2095 NA PeJP NA NA +PJ044428 NDDDDDD C28H38N8O21 822.2152 NA PeJP NA NA +PJ044429 SCCCNMY C30H46N8O11S4 822.2169 NA PeJP NA NA +PJ044430 GCCCDHW C32H42N10O10S3 822.2248 NA PeJP NA NA +PJ044431 GSSCCDDH C28H42N10O15S2 822.2273 NA PeJP NA NA +PJ044432 GPTCCCCH C29H46N10O10S4 822.2282 NA PeJP NA NA +MJ095468 Antibiotic RS 10 C29H42N8O18S 822.233777 NA MeJP NA NA +PJ044433 GSPCDDDD C29H42N8O18S 822.2338 NA PeJP NA NA +PJ044434 GSSTCCCY C30H46N8O13S3 822.2347 NA PeJP NA NA +MJ095469 Sucrose; 1',3',6'-Tris-O-(4-hydroxy-E-cinnamoyl), 2-Ac C41H42O18 822.237114 NA MeJP NA NA +PJ044435 CNNNDDE C28H42N10O17S 822.245 NA PeJP NA NA +PJ044436 GGCNNDDE C28H42N10O17S 822.2451 NA PeJP NA NA +PJ044437 SCCNEMH C29H46N10O12S3 822.2459 NA PeJP NA NA +PJ044438 PPCCCDW C34H46N8O10S3 822.2499 NA PeJP NA NA +PJ044439 SNDDDEE C29H42N8O20 822.2516 NA PeJP NA NA +PJ044440 SSSSSCCY C30H46N8O15S2 822.2524 NA PeJP NA NA +PJ044441 GGPCDDEM C30H46N8O15S2 822.2525 NA PeJP NA NA +PJ044442 TCCCCKY C31H50N8O10S4 822.2533 NA PeJP NA NA +PJ044443 CDEMYY C35H46N6O13S2 822.2565 NA PeJP NA NA +PJ044444 SCCCDHR C28H46N12O11S3 822.2571 NA PeJP NA NA +PJ044445 GCNNDDW C32H42N10O14S 822.2603 NA PeJP NA NA +PJ044446 GSCCMHW C33H46N10O9S3 822.2612 NA PeJP NA NA +PJ044447 GSSNNDDD C28H42N10O19 822.2628 NA PeJP NA NA +PJ044448 PCCDDDR C29H46N10O14S2 822.2637 NA PeJP NA NA +PJ044449 GCNMMMH C30H50N10O9S4 822.2645 NA PeJP NA NA +PJ044450 GGGCMMMH C30H50N10O9S4 822.2646 NA PeJP NA NA +PJ044451 GSDDDEW C33H42N8O17 822.2668 NA PeJP NA NA +PJ044452 GPCDDMW C34H46N8O12S2 822.2677 NA PeJP NA NA +PJ044453 GNDEEEM C30H46N8O17S 822.2702 NA PeJP NA NA +PJ044454 GSPPCCEM C31H50N8O12S3 822.2711 NA PeJP NA NA +PJ044455 CNNNNNM C28H46N12O13S2 822.2749 NA PeJP NA NA +PJ044456 CEMMFY C36H50N6O10S3 822.2751 NA PeJP NA NA +PJ044457 ACCCMHR C29H50N12O8S4 822.2758 NA PeJP NA NA +PJ044458 SSTCCHW C33H46N10O11S2 822.2789 NA PeJP NA NA +PJ044459 GDDDDMR C29H46N10O16S 822.2814 NA PeJP NA NA +PJ044460 GGGGGGSDEM C29H46N10O16S 822.2815 NA PeJP NA NA +PJ044461 SDDDWW C37H42N8O14 822.2821 NA PeJP NA NA +PJ044462 SSCQMMH C30H50N10O11S3 822.2823 NA PeJP NA NA +PJ044463 PCCEWW C38H46N8O9S2 822.283 NA PeJP NA NA +PJ044464 SSPCDEW C34H46N8O14S 822.2854 NA PeJP NA NA +PJ044465 NDEEMW C34H46N8O14S 822.2855 NA PeJP NA NA +PJ044466 SPPCCMW C35H50N8O9S3 822.2863 NA PeJP NA NA +PJ044467 SSNEEEE C30H46N8O19 822.2879 NA PeJP NA NA +PJ044468 GGSSEEEE C30H46N8O19 822.288 NA PeJP NA NA +PJ044469 SPNDEMM C31H50N8O14S2 822.2888 NA PeJP NA NA +PJ044470 GNDDEHH C31H42N12O15 822.2893 NA PeJP NA NA +PJ044471 PCDYYY C39H46N6O12S 822.2895 NA PeJP NA NA +PJ044472 PPCNMMM C32H54N8O9S4 822.2897 NA PeJP NA NA +PJ044473 SCNNDDR C28H46N12O15S 822.2927 NA PeJP NA NA +PJ044474 SEMMYY C36H50N6O12S2 822.2928 NA PeJP NA NA +PJ044475 SSCCMHR C29H50N12O10S3 822.2935 NA PeJP NA NA +PJ044476 GGGAPCCCR C29H50N12O10S3 822.2936 NA PeJP NA NA +PJ044477 CCQHFW C37H46N10O8S2 822.2942 NA PeJP NA NA +FL5FABGI0013 Epimedin C C39H50O19 822.29462 110642-44-9 knapsack NA NA +FL5FABGI0014 Hexandraside D C39H50O19 822.29462 137218-02-1 knapsack NA NA +MJ095470 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-(fucopyranosyl-?-L-rhamnoside), 7-O-?-D-glucopyranoside C39H50O19 822.294629 NA MeJP NA NA +MJ095471 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C39H50O19 822.294629 NA MeJP NA NA +MJ095472 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?3)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C39H50O19 822.294629 NA MeJP NA NA +PJ044478 CDDERW C33H46N10O13S 822.2967 NA PeJP NA NA +PJ044479 SSDDDER C29H46N10O18 822.2992 NA PeJP NA NA +PJ044480 SSSSCCLH C30H50N10O13S2 822.3 NA PeJP NA NA +PJ044481 SPCDDMR C30H50N10O13S2 822.3001 NA PeJP NA NA +PJ044482 GDEMWW C38H46N8O11S 822.3007 NA PeJP NA NA +PJ044483 ACCKMMH C31H54N10O8S4 822.3009 NA PeJP NA NA +PJ044484 GSSEEEW C34H46N8O16 822.3032 NA PeJP NA NA +PJ044485 GSPDMMW C35H50N8O11S2 822.3041 NA PeJP NA NA +PJ044486 NDDHHW C35H42N12O12 822.3046 NA PeJP NA NA +PJ044487 GTQEEEM C31H50N8O16S 822.3066 NA PeJP NA NA +PJ044488 GEEYYY C39H46N6O14 822.3072 NA PeJP NA NA +PJ044489 APNEMMM C32H54N8O11S3 822.3074 NA PeJP NA NA +PJ044490 GPQEMMM C32H54N8O11S3 822.3075 NA PeJP NA NA +PJ044491 SPCNEHH C32H46N12O12S 822.3079 NA PeJP NA NA +PJ044492 PCMFYY C40H50N6O9S2 822.3081 NA PeJP NA NA +PJ044493 MMMHHH C33H50N12O7S3 822.3088 NA PeJP NA NA +MJ095473 Saquayamycin A; 2'',3''-Dihydro C43H50O16 822.309885 NA MeJP NA NA +MJ095474 Saquayamycin A; 2C,3C-Dihydro C43H50O16 822.309885 NA MeJP NA NA +MJ095475 Saquayamycin B; 4D''?-Alcohol C43H50O16 822.309885 NA MeJP NA NA +PJ044494 SSSSNNNN C28H46N12O17 822.3104 NA PeJP NA NA +PJ044495 GCNNEMR C29H50N12O12S2 822.3113 NA PeJP NA NA +PJ044496 CLMMYY C37H54N6O9S3 822.3115 NA PeJP NA NA +PJ044497 SCNQWW C37H46N10O10S 822.3119 NA PeJP NA NA +PJ044498 GGGGTCWW C37H46N10O10S 822.312 NA PeJP NA NA +PJ044499 SSSNNEW C33H46N10O15 822.3144 NA PeJP NA NA +PJ044500 GGGGSSSEW C33H46N10O15 822.3145 NA PeJP NA NA +PJ044501 NNQMMW C34H50N10O10S2 822.3153 NA PeJP NA NA +PJ044502 DMWWW C42H46N8O8S 822.316 NA PeJP NA NA +PJ044503 GSDEEMR C30H50N10O15S 822.3178 NA PeJP NA NA +PJ044504 SNNYYY C38H46N8O13 822.3184 NA PeJP NA NA +PJ044505 SSEEWW C38H46N8O13 822.3185 NA PeJP NA NA +PJ044506 GPCEMMR C31H54N10O10S3 822.3187 NA PeJP NA NA +PJ044507 ACNNQHH C31H46N14O11S 822.3191 NA PeJP NA NA +PJ044508 GNNNMHH C31H46N14O11S 822.3192 NA PeJP NA NA +PJ044509 PTCMWW C39H50N8O8S2 822.3193 NA PeJP NA NA +MJ095476 Prepatellamide B formate C39H50N8O8S2 822.319301 NA MeJP NA NA +PJ044510 TQEEMW C35H50N8O13S 822.3218 NA PeJP NA NA +PJ044511 GGGPEEMF C35H50N8O13S 822.3219 NA PeJP NA NA +PJ044512 EYYYW C43H46N6O11 822.3225 NA PeJP NA NA +PJ044513 PQMMMW C36H54N8O8S3 822.3227 NA PeJP NA NA +PJ044514 GSPCHHW C36H46N12O9S 822.3232 NA PeJP NA NA +PJ044515 SSDKEEE C31H50N8O18 822.3243 NA PeJP NA NA +PJ044516 GVQEEMM C32H54N8O13S2 822.3252 NA PeJP NA NA +PJ044517 GNNNNQY C32H46N12O14 822.3257 NA PeJP NA NA +PJ044518 SPMYYY C40H50N6O11S 822.3258 NA PeJP NA NA +PJ044519 TDMFFY C40H50N6O11S 822.3259 NA PeJP NA NA +PJ044520 CNNMRW C33H50N12O9S2 822.3265 NA PeJP NA NA +PJ044521 GGCNMRW C33H50N12O9S2 822.3266 NA PeJP NA NA +PJ044522 SSNNDMR C29H50N12O14S 822.329 NA PeJP NA NA +PJ044523 GGSSNDMR C29H50N12O14S 822.3291 NA PeJP NA NA +PJ044524 GSSSNWW C37H46N10O12 822.3297 NA PeJP NA NA +PJ044525 PCCCNKR C30H54N12O9S3 822.3299 NA PeJP NA NA +PJ044526 CCKHFW C38H50N10O7S2 822.3306 NA PeJP NA NA +MJ095477 Phyllanthocic acid; 7,14-Deepoxy, 7,14-dihydroxy, [3-O-acetyl-6-deoxy-?-D-glucopyranosyl-(1?2)-3-O-acetyl-6-deoxy-?-D-glucopyranosyl] ester C40H54O18 822.331014 NA MeJP NA NA +PJ044527 SDEMRW C34H50N10O12S 822.3331 NA PeJP NA NA +PJ044528 GPDYWW C42H46N8O10 822.3337 NA PeJP NA NA +PJ044529 PCMMRW C35H54N10O7S3 822.3339 NA PeJP NA NA +PJ044530 SSSEEER C30H50N10O17 822.3356 NA PeJP NA NA +MJ095478 Verticillomycin C46H50N2O12 822.336375 NA MeJP NA NA +PJ044531 QEEMMR C31H54N10O12S2 822.3364 NA PeJP NA NA +PJ044532 GAEEMMR C31H54N10O12S2 822.3365 NA PeJP NA NA +PJ044533 GSDDHHR C31H46N14O13 822.3369 NA PeJP NA NA +PJ044534 GGGGGGGGGGPH C31H46N14O13 822.337 NA PeJP NA NA +PJ044535 ATEMWW C39H50N8O10S 822.3371 NA PeJP NA NA +PJ044536 APCCHHR C32H50N14O8S2 822.3378 NA PeJP NA NA +PJ044537 GTTTEEW C35H50N8O15 822.3396 NA PeJP NA NA +PJ044538 VQEMMW C36H54N8O10S2 822.3405 NA PeJP NA NA +PJ044539 SQEHHW C36H46N12O11 822.3409 NA PeJP NA NA +PJ044540 GGGPDHHF C36H46N12O11 822.341 NA PeJP NA NA +PJ044541 PCFFFY C44H50N6O8S 822.3411 NA PeJP NA NA +PJ044542 GTKEEEM C32H54N8O15S 822.343 NA PeJP NA NA +PJ044543 SVEYYY C40H50N6O13 822.3436 NA PeJP NA NA +PJ044544 GPKEMMM C33H58N8O10S3 822.3438 NA PeJP NA NA +PJ044545 GSSCQRW C33H50N12O11S 822.3443 NA PeJP NA NA +PJ044546 CLMFFY C41H54N6O8S2 822.3445 NA PeJP NA NA +PJ044547 GNNFWW C41H46N10O9 822.345 NA PeJP NA NA +PJ044548 GSSSSNER C29H50N12O16 822.3468 NA PeJP NA NA +PJ044549 DDMMRR C30H54N12O11S2 822.3477 NA PeJP NA NA +PJ044550 SCNKWW C38H50N10O9S 822.3483 NA PeJP NA NA +PJ044551 SSSNDKW C34H50N10O14 822.3508 NA PeJP NA NA +PJ044552 GGGGGGGLEY C34H50N10O14 822.3509 NA PeJP NA NA +PJ044553 AEMMRW C35H54N10O9S2 822.3517 NA PeJP NA NA +PJ044554 GPMFWW C43H50N8O7S 822.3524 NA PeJP NA NA +PJ044555 GTTEEMR C31H54N10O14S 822.3542 NA PeJP NA NA +PJ044556 TTTEWW C39H50N8O12 822.3548 NA PeJP NA NA +PJ044557 GGVEEFW C39H50N8O12 822.3549 NA PeJP NA NA +PJ044558 GPTMMMR C32H58N10O9S3 822.3551 NA PeJP NA NA +PJ044559 NEMHHR C32H50N14O10S 822.3555 NA PeJP NA NA +PJ044560 GGEMHHR C32H50N14O10S 822.3556 NA PeJP NA NA +PJ044561 GLMMWW C40H54N8O7S2 822.3557 NA PeJP NA NA +PJ044562 GTHHWW C40H46N12O8 822.3562 NA PeJP NA NA +MJ095479 Tolypomycin Y C43H54N2O14 822.357504 NA MeJP NA NA +PJ044563 TKEEMW C36H54N8O12S 822.3582 NA PeJP NA NA +PJ044564 APFYYY C44H50N6O10 822.3589 NA PeJP NA NA +PJ044565 PKMMMW C37H58N8O7S3 822.3591 NA PeJP NA NA +PJ044566 VNMHHW C37H50N12O8S 822.3596 NA PeJP NA NA +MJ095480 Muracein C C32H54N8O17 822.360692 NA MeJP NA NA +PJ044567 STTKEEE C32H54N8O17 822.3607 NA PeJP NA NA +MJ095481 Trishuzakaol A C48H54O12 822.361527 NA MeJP NA NA +PJ044568 GVKEEMM C33H58N8O12S2 822.3616 NA PeJP NA NA +PJ044569 SSSSNRW C33H50N12O13 822.3621 NA PeJP NA NA +PJ044570 ALMYYY C41H54N6O10S 822.3622 NA PeJP NA NA +PJ044571 CCQKRW C34H54N12O8S2 822.3629 NA PeJP NA NA +PJ044572 QQHHHH C34H46N16O9 822.3634 NA PeJP NA NA +PJ044573 SSSQQMR C30H54N12O13S 822.3654 NA PeJP NA NA +PJ044574 SPDRYW C38H50N10O11 822.3661 NA PeJP NA NA +PJ044575 CDHHRR C31H50N16O9S 822.3668 NA PeJP NA NA +PJ044576 GSSQKMW C35H54N10O11S 822.3694 NA PeJP NA NA +PJ044577 TTEMRW C35H54N10O11S 822.3695 NA PeJP NA NA +PJ044578 APTYWW C43H50N8O9 822.3701 NA PeJP NA NA +PJ044579 GMHHRW C36H50N14O7S 822.3708 NA PeJP NA NA +PJ044580 STTTEER C31H54N10O16 822.3719 NA PeJP NA NA +PJ044581 TTTTDER C31H54N10O16 822.372 NA PeJP NA NA +PJ044582 KEEMMR C32H58N10O11S2 822.3728 NA PeJP NA NA +PJ044583 GSTEHHR C32H50N14O12 822.3733 NA PeJP NA NA +PJ044584 STLMWW C40H54N8O9S 822.3735 NA PeJP NA NA +7629 ACE inhibitor from k-CN (fr, 12-17) EKDERF 822.3739 antioxidative Inhouse_peptide NA peptide +PJ044585 SSTTLEW C36H54N8O14 822.376 NA PeJP NA NA +PJ044586 SSSCQRR C29H54N14O12S 822.3767 NA PeJP NA NA +PJ044587 ASCLLMW C37H58N8O9S2 822.3768 NA PeJP NA NA +PJ044588 VKEMMW C37H58N8O9S2 822.3769 NA PeJP NA NA +PJ044589 GNQRYW C37H50N12O10 822.3773 NA PeJP NA NA +PJ044590 CLFFFF C45H54N6O7S 822.3775 NA PeJP NA NA +PJ044591 SSLKEEM C33H58N8O14S 822.3793 NA PeJP NA NA +PJ044592 AASTTLEM C33H58N8O14S 822.3794 NA PeJP NA NA +PJ044593 TTLYYY C41H54N6O12 822.38 NA PeJP NA NA +PJ044594 SPVKMMM C34H62N8O9S3 822.3802 NA PeJP NA NA +PJ044595 GSSCKRW C34H54N12O10S 822.3807 NA PeJP NA NA +PJ044596 EFRWW C42H50N10O8 822.3813 NA PeJP NA NA +PJ044597 GSSSSDKR C30H54N12O15 822.3832 NA PeJP NA NA +MJ095482 Catharine C46H54N4O10 822.383993 NA MeJP NA NA +MJ095483 Leurosine; 21'-Oxo C46H54N4O10 822.383993 NA MeJP NA NA +MJ095484 Vincovalicine C46H54N4O10 822.383993 NA MeJP NA NA +MJ095485 Vinformide C46H54N4O10 822.383993 NA MeJP NA NA +C09129 Catharine C46H54N4O10 822.384 NA KEGG NA NA +PJ044598 TEMMRR C31H58N12O10S2 822.3841 NA PeJP NA NA +PJ044599 APMRYW C39H54N10O8S 822.3847 NA PeJP NA NA +PJ044600 VFWWW C47H50N8O6 822.3854 NA PeJP NA NA +PJ044601 SSSTQKW C35H54N10O13 822.3872 NA PeJP NA NA +PJ044602 SLMMRW C36H58N10O8S2 822.3881 NA PeJP NA NA +PJ044603 STHHRW C36H50N14O9 822.3886 NA PeJP NA NA +PJ044604 SSTLEMR C32H58N10O13S 822.3906 NA PeJP NA NA +PJ044605 PTKEYW C40H54N8O11 822.3912 NA PeJP NA NA +PJ044606 GGGPLEFF C40H54N8O11 822.3913 NA PeJP NA NA +PJ044607 AALMMMR C33H62N10O8S3 822.3915 NA PeJP NA NA +PJ044608 CNQFRR C33H54N14O9S 822.3919 NA PeJP NA NA +PJ044609 VHHHFF C41H50N12O7 822.3926 NA PeJP NA NA +PJ044610 GSSSSSRR C29H54N14O14 822.3944 NA PeJP NA NA +PJ044611 SSSLLMW C37H58N8O11S 822.3946 NA PeJP NA NA +PJ044612 ALFFYY C45H54N6O9 822.3953 NA PeJP NA NA +PJ044613 PPMHRW C38H54N12O7S 822.396 NA PeJP NA NA +PJ044614 SSSSTLLE C33H58N8O16 822.3971 NA PeJP NA NA +PJ044615 ATLKEMM C34H62N8O11S2 822.398 NA PeJP NA NA +PJ044616 VDDRRY C34H54N12O12 822.3984 NA PeJP NA NA +PJ044617 AEERRY C34H54N12O12 822.3985 NA PeJP NA NA +PJ044618 CCKKRW C35H58N12O7S2 822.3993 NA PeJP NA NA +PJ044619 QKHHHH C35H50N16O8 822.3998 NA PeJP NA NA +PJ044620 SSSQKMR C31H58N12O12S 822.4018 NA PeJP NA NA +PJ044621 GLERYW C39H54N10O10 822.4025 NA PeJP NA NA +PJ044622 VMMMRR C32H62N12O7S3 822.4027 NA PeJP NA NA +PJ044623 SMHHRR C32H54N16O8S 822.4032 NA PeJP NA NA +MJ095486 3,21-Dihydroxy-11,13(18)-oleanadien-29-oic acid, 3,21-Di-O-?-D-glucuronopyranoside C42H62O16 822.403785 NA MeJP NA NA +MJ095487 3,21-Dihydroxy-11,13(18)-oleanadien-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H62O16 822.403785 NA MeJP NA NA +MJ095488 3,21-Dihydroxy-11,13(18)-oleanadien-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?4)-?-D-glucuronopyranoside] C42H62O16 822.403785 NA MeJP NA NA +MJ095489 3,21-Dihydroxy-9(11),12-oleanadien-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H62O16 822.403785 NA MeJP NA NA +MJ095490 3,24-Dihydroxy-11,13(18)-oleanadien-30-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H62O16 822.403785 NA MeJP NA NA +MJ095491 3,25-Dihydroxy-12-oleanen-30-oic acid, 25-Aldehyde, 3-O-[?-D-glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H62O16 822.403785 NA MeJP NA NA +MJ095492 3,25-Dihydroxy-18-oleanen-30-oic acid, 25-Aldehyde, 3-[O-?-D-glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H62O16 822.403785 NA MeJP NA NA +MJ095493 3-Hydroxy-11-oxo-12-oleanen-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H62O16 822.403785 NA MeJP NA NA +MJ095494 3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?3)-?-D-glucuronopyranoside] C42H62O16 822.403785 NA MeJP NA NA +MJ095495 3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?4)-?-D-glucuronopyranoside] C42H62O16 822.403785 NA MeJP NA NA +MJ095496 Abrusogenin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H62O16 822.403785 NA MeJP NA NA +MJ095497 Abrusogenin; 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucopyranoside] C42H62O16 822.403785 NA MeJP NA NA +MJ095498 Glycyrrhizic acid C42H62O16 822.403785 NA MeJP NA NA +MetaCyc04154 glycyrrhizinate [] C42H62O16 822.403786 1405-86-3 metacyc NA NA +C02284 Glycyrrhizinate C42H62O16 822.4038 NA KEGG NA NA +C02285 Heavy metal ion C42H62O16 822.4038 NA KEGG NA NA +C06688 Rifampicin C43H58N4O12 822.4051 NA KEGG NA NA +MJ095499 Rifampicin C43H58N4O12 822.405123 NA MeJP NA NA +PJ044624 GSSKKMW C36H58N10O10S 822.4058 NA PeJP NA NA +PJ044625 GGAPCKKY C36H58N10O10S 822.4059 NA PeJP NA NA +PJ044626 GVLYWW C44H54N8O8 822.4065 NA PeJP NA NA +PJ044627 GSSSTKKE C32H58N10O15 822.4083 NA PeJP NA NA +PJ044628 ATTLMMR C33H62N10O10S2 822.4092 NA PeJP NA NA +PJ044629 SNQRRY C33H54N14O11 822.4097 NA PeJP NA NA +PJ044630 PVKMYW C41H58N8O8S 822.4099 NA PeJP NA NA +PJ044631 TTTTTLW C37H58N8O13 822.4123 NA PeJP NA NA +MJ095500 Antibiotic SF 2068 C37H58N8O13 822.412333 NA MeJP NA NA +PJ044632 AALKEEY C37H58N8O13 822.4124 NA PeJP NA NA +PJ044633 SSSCKRR C30H58N14O11S 822.413 NA PeJP NA NA +7496 ACE inhibitor (from bovine as1-CN) FPEVFGK 822.413 antioxidative Inhouse_peptide NA peptide +PJ044634 GPLKMMF C38H62N8O8S2 822.4132 NA PeJP NA NA +PJ044635 GNKRYW C38H54N12O9 822.4137 NA PeJP NA NA +PJ044636 TTTLKEM C34H62N8O13S 822.4157 NA PeJP NA NA +PJ044637 GLLKMMM C35H66N8O8S3 822.4166 NA PeJP NA NA +PJ044638 PTMRRY C35H58N12O9S 822.4171 NA PeJP NA NA +PJ044639 LRYWW C43H54N10O7 822.4177 NA PeJP NA NA +PJ044640 GSSSTTKR C31H58N12O14 822.4196 NA PeJP NA NA +PJ044641 SVCCKKR C32H62N12O9S2 822.4204 NA PeJP NA NA +PJ044642 GTCKKMR C32H62N12O9S2 822.4205 NA PeJP NA NA +PJ044643 GSPNHRR C32H54N16O10 822.4209 NA PeJP NA NA +PJ044644 ALMFRW C40H58N10O7S 822.4211 NA PeJP NA NA +PJ044645 SSSTKKW C36H58N10O12 822.4236 NA PeJP NA NA +PJ044646 CKKKMW C37H62N10O7S2 822.4245 NA PeJP NA NA +PJ044647 VQHHFR C37H54N14O8 822.4249 NA PeJP NA NA +MJ095501 1,6,10-Farnesatrien-3-ol, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C39H66O18 822.424915 NA MeJP NA NA +MJ095502 1,6,10-Farnesatrien-3-ol, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?4)[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C39H66O18 822.424915 NA MeJP NA NA +PJ044648 GGLHHFR C37H54N14O8 822.425 NA PeJP NA NA +PJ044649 TTTTLMR C33H62N10O12S 822.427 NA PeJP NA NA +PJ044650 VVKEYW C41H58N8O10 822.4276 NA PeJP NA NA +PJ044651 CNKFRR C34H58N14O8S 822.4283 NA PeJP NA NA +PJ044652 APTLKMY C38H62N8O10S 822.431 NA PeJP NA NA +PJ044653 SSTTTTLL C34H62N8O15 822.4335 NA PeJP NA NA +PJ044654 STLLKMM C35H66N8O10S2 822.4344 NA PeJP NA NA +PJ044655 SLERRY C35H58N12O11 822.4348 NA PeJP NA NA +PJ044656 GGPPPDKR C35H58N12O11 822.4349 NA PeJP NA NA +PJ044657 AHHFRR C36H54N16O7 822.4362 NA PeJP NA NA +PJ044658 SSSKKMR C32H62N12O11S 822.4382 NA PeJP NA NA +PJ044659 SQKKFW C40H58N10O9 822.4388 NA PeJP NA NA +PJ044660 SVLRYW C40H58N10O9 822.4389 NA PeJP NA NA +MJ095503 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[4-Deoxy-6-O-methyl-?-L-threo-hex-4-enopyranoside], 28-O-?-D-glucopyranosyl ester C43H66O15 822.440171 NA MeJP NA NA +MJ095504 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[3-O-Acetyl-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C43H66O15 822.440171 NA MeJP NA NA +MJ095505 Digoxin; 3'''-Ac C43H66O15 822.440171 NA MeJP NA NA +MJ095506 Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-4,6-di-O-acetyl-?-D-galactopyranoside] C43H66O15 822.440171 NA MeJP NA NA +PJ044661 LLQMRY C37H62N10O9S 822.4422 NA PeJP NA NA +PJ044662 PVKFFW C45H58N8O7 822.4429 NA PeJP NA NA +PJ044663 SSSSSLKK C33H62N10O14 822.4447 NA PeJP NA NA +PJ044664 GTKKKMM C34H66N10O9S2 822.4456 NA PeJP NA NA +PJ044665 SNKRRY C34H58N14O10 822.4461 NA PeJP NA NA +MJ095507 Bottromycin; Bottromycin A2 C42H62N8O7S 822.446217 NA MeJP NA NA +PJ044666 VLKMFW C42H62N8O7S 822.4463 NA PeJP NA NA +PJ044667 GTLLKEY C38H62N8O12 822.4487 NA PeJP NA NA +PJ044668 ATLLDKY C38H62N8O12 822.4488 NA PeJP NA NA +PJ044669 PQKKHW C39H58N12O8 822.4501 NA PeJP NA NA +PJ044670 VVMRRY C36H62N12O8S 822.4535 NA PeJP NA NA +MJ095508 Sorangicin C C47H66O12 822.455427 NA MeJP NA NA +PJ044671 VQQHRR C33H58N16O9 822.4573 NA PeJP NA NA +PJ044672 GTTLLRY C37H62N10O11 822.46 NA PeJP NA NA +PJ044673 VKHHFR C38H58N14O7 822.4613 NA PeJP NA NA +PJ044674 STTKKKM C34H66N10O11S 822.4633 NA PeJP NA NA +PJ044675 TLLKYW C42H62N8O9 822.464 NA PeJP NA NA +PJ044676 GVLLKMY C39H66N8O9S 822.4674 NA PeJP NA NA +PJ044677 AQHRRR C32H58N18O8 822.4685 NA PeJP NA NA +PJ044678 GAAHRRR C32H58N18O8 822.4686 NA PeJP NA NA +PJ044679 TQKKRY C36H62N12O10 822.4712 NA PeJP NA NA +PJ044680 AKKKYW C41H62N10O8 822.4752 NA PeJP NA NA +PJ044681 GVVLLHW C41H62N10O8 822.4753 NA PeJP NA NA +MJ095509 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[2-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C44H70O14 822.476556 NA MeJP NA NA +MJ095510 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[3-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C44H70O14 822.476556 NA MeJP NA NA +MJ095511 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[4-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C44H70O14 822.476556 NA MeJP NA NA +MJ095512 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C44H70O14 822.476556 NA MeJP NA NA +MJ095513 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[2-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C44H70O14 822.476556 NA MeJP NA NA +MJ095514 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[3-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C44H70O14 822.476556 NA MeJP NA NA +MJ095515 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[4-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C44H70O14 822.476556 NA MeJP NA NA +MJ095516 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C44H70O14 822.476556 NA MeJP NA NA +MJ095517 3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C44H70O14 822.476556 NA MeJP NA NA +MJ095518 3,12,14-Trihydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C44H70O14 822.476556 NA MeJP NA NA +PJ044682 LLKMRY C38H66N10O8S 822.4786 NA PeJP NA NA +PJ044683 LLEHRR C35H62N14O9 822.4825 NA PeJP NA NA +PJ044684 SSLLLKY C39H66N8O11 822.4851 NA PeJP NA NA +PJ044685 GPPVVLLE C39H66N8O11 822.4852 NA PeJP NA NA +PJ044686 VLLHRW C40H62N12O7 822.4865 NA PeJP NA NA +PJ044687 AAPPRRR C34H62N16O8 822.4937 NA PeJP NA NA +PJ044688 KKKKEY C38H66N10O10 822.4964 NA PeJP NA NA +PJ044689 PPVVLLW C43H66N8O8 822.5004 NA PeJP NA NA +PJ044690 AKHRRR C33H62N18O7 822.5049 NA PeJP NA NA +MJ095519 Diboviquinone-3,4; 4,4-Homologue C52H70O8 822.507069 NA MeJP NA NA +MJ095520 Distrongylophorine C52H70O8 822.507069 NA MeJP NA NA +PJ044691 TKKKRY C37H66N12O9 822.5076 NA PeJP NA NA +PJ044692 LLKFFR C42H66N10O7 822.5116 NA PeJP NA NA +MJ095521 Concanamycin A; 4'-Decarbamoyl C45H74O13 822.512942 NA MeJP NA NA +PJ044693 GPPLKRR C36H66N14O8 822.5188 NA PeJP NA NA +PJ044694 GPPTLLLL C40H70N8O10 822.5215 NA PeJP NA NA +PJ044695 VKKHRR C35H66N16O7 822.5301 NA PeJP NA NA +PJ044696 SLLLLKH C39H70N10O9 822.5328 NA PeJP NA NA +HMDB10614 PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H79O10P 822.541077 NA HMDB2010 NA NA +HMDB10627 PG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C46H79O10P 822.541077 NA HMDB2010 NA NA +HMDB10628 PG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C46H79O10P 822.541077 NA HMDB2010 NA NA +HMDB10642 PG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C46H79O10P 822.541077 NA HMDB2010 NA NA +HMDB10643 PG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C46H79O10P 822.541077 NA HMDB2010 NA NA +HMDB10656 PG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) C46H79O10P 822.541077 NA HMDB2010 NA NA +PJ044697 PPVVKKR C38H70N12O8 822.544 NA PeJP NA NA +PJ044698 AAPLLLLL C41H74N8O9 822.5579 NA PeJP NA NA +MJ095522 Huratoxin; 20-Hexadecanoyl C50H78O9 822.564584 NA MeJP NA NA +PJ044699 PVLLLLR C40H74N10O8 822.5691 NA PeJP NA NA +MJ095523 Taondiol dimer C54H78O6 822.57984 NA MeJP NA NA +HMDB10497 TG(18:3(9Z,12Z,15Z)/14:0/18:3(9Z,12Z,15Z))[iso3] C53H90O6 822.673767 NA HMDB2010 NA NA +C00100 Propanoyl-CoA C24H40N7O17P3S 823.1414 NA KEGG NA NA +HMDB01275 Propionyl-CoA C24H40N7O17P3S 823.141418 NA HMDB2010 NA NA +HMDB01275 Propionyl-CoA C24H40N7O17P3S 823.14142 http://www.hmdb.ca/metabolites/HMDB01275 HMDB NA NA +HMDB01275 Propionyl-CoA C24H40N7O17P3S 823.14142 HMDB01275 PFEM_hmdb_metabocards_official NA NA +MJ095524 Propanoyl-CoA C24H40N7O17P3S 823.141423 NA MeJP NA NA +MetaCyc04155 propionyl-CoA [propanoyl-CoA;propionyl-coenzyme A;] C24H40N7O17P3S1 823.141423 317-66-8 metacyc NA NA +PJ044700 CCCCDDY C29H41N7O13S4 823.1646 NA PeJP NA NA +PJ044701 CCCCMMM C27H49N7O8S7 823.1688 NA PeJP NA NA +PJ044702 CCCCDMF C30H45N7O10S5 823.1832 NA PeJP NA NA +PJ044703 CCCDDEH C28H41N9O14S3 823.1936 NA PeJP NA NA +PJ044704 DDDDDDD C28H37N7O22 823.1992 NA PeJP NA NA +PJ044705 SCCCDMY C30H45N7O12S4 823.2009 NA PeJP NA NA +PJ044706 ACCCMMY C31H49N7O9S5 823.2196 NA PeJP NA NA +PJ044707 CCCNNMH C28H45N11O10S4 823.2234 NA PeJP NA NA +PJ044708 CNNDDDE C28H41N9O18S 823.2291 NA PeJP NA NA +PJ044709 SCCDEMH C29H45N9O13S3 823.2299 NA PeJP NA NA +PJ044710 PCCCMMH C30H49N9O8S5 823.2308 NA PeJP NA NA +MJ095525 2-O-?-D-Galactopyranosyl-D-mannose; ?-Pyranose-form, p-Nitrophenyl glycoside, 4,6-O-benzylidene, 3-benzoyl, tetra-Ac C40H41NO18 823.232363 NA MeJP NA NA +PJ044711 GCCCEFY C34H45N7O11S3 823.2339 NA PeJP NA NA +PJ044712 SDDDDEE C29H41N7O21 823.2356 NA PeJP NA NA +PJ044713 PCDDDEM C30H45N7O16S2 823.2365 NA PeJP NA NA +PJ044714 SSCCMMY C31H49N7O11S4 823.2373 NA PeJP NA NA +PJ044715 GSSCCCQH C28H45N11O12S3 823.2412 NA PeJP NA NA +PJ044716 GCNDDDW C32H41N9O15S 823.2443 NA PeJP NA NA +PJ044717 PCCCDHF C33H45N9O10S3 823.2452 NA PeJP NA NA +PJ044718 GSSNDDDD C28H41N9O20 823.2468 NA PeJP NA NA +PJ044719 GSPCCNDE C29H45N9O15S2 823.2477 NA PeJP NA NA +PJ044720 GCDMMMH C30H49N9O10S4 823.2486 NA PeJP NA NA +PJ044721 CCCFYW C38H45N7O8S3 823.2492 NA PeJP NA NA +PJ044722 GSCCEYY C34H45N7O13S2 823.2517 NA PeJP NA NA +PJ044723 ACCCMFF C35H49N7O8S4 823.2526 NA PeJP NA NA +PJ044724 GDDEEEM C30H45N7O18S 823.2542 NA PeJP NA NA +PJ044725 SSSSCCNH C28H45N11O14S2 823.2589 NA PeJP NA NA +PJ044726 GGGGGGGGCDM C28H45N11O14S2 823.259 NA PeJP NA NA +PJ044727 CCCCQKH C29H49N11O9S4 823.2598 NA PeJP NA NA +PJ044728 SPCCNDW C33H45N9O12S2 823.2629 NA PeJP NA NA +PJ044729 GGSPCCDW C33H45N9O12S2 823.263 NA PeJP NA NA +PJ044730 SNNDDEM C29H45N9O17S 823.2654 NA PeJP NA NA +PJ044731 GGSNDDEM C29H45N9O17S 823.2655 NA PeJP NA NA +PJ044732 SSCEMMH C30H49N9O12S3 823.2663 NA PeJP NA NA +PJ044733 SCCYYW C38H45N7O10S2 823.2669 NA PeJP NA NA +PJ044734 GCCMHHH C31H45N13O8S3 823.2677 NA PeJP NA NA +PJ044735 DDEEMW C34H45N7O15S 823.2695 NA PeJP NA NA +PJ044736 CNMMYY C35H49N7O10S3 823.2703 NA PeJP NA NA +PJ044737 SSDEEEE C30H45N7O20 823.272 NA PeJP NA NA +PJ044738 SPDDEMM C31H49N7O15S2 823.2728 NA PeJP NA NA +PJ044739 GDDDEHH C31H41N11O16 823.2733 NA PeJP NA NA +PJ044740 PPCDMMM C32H53N7O10S4 823.2737 NA PeJP NA NA +PJ044741 GCCNNQW C32H45N11O11S2 823.2742 NA PeJP NA NA +PJ044742 SCNDDDR C28H45N11O16S 823.2767 NA PeJP NA NA +PJ044743 PCCCNER C29H49N11O11S3 823.2775 NA PeJP NA NA +PJ044744 GGPCCCER C29H49N11O11S3 823.2776 NA PeJP NA NA +PJ044745 CCEHFW C37H45N9O9S2 823.2782 NA PeJP NA NA +PJ044746 GSNDDMW C33H45N9O14S 823.2807 NA PeJP NA NA +PJ044747 GPCCQMW C34H49N9O9S3 823.2816 NA PeJP NA NA +PJ044748 GSSSNDEE C29H45N9O19 823.2832 NA PeJP NA NA +PJ044749 GNNEEMM C30H49N9O14S2 823.2841 NA PeJP NA NA +PJ044750 CNDFYY C38H45N7O12S 823.2847 NA PeJP NA NA +PJ044751 GSMMMMH C31H53N9O9S4 823.2849 NA PeJP NA NA +PJ044752 STCCHHH C31H45N13O10S2 823.2854 NA PeJP NA NA +PJ044753 GPDDEEY C34H45N7O17 823.2872 NA PeJP NA NA +PJ044754 GSTCMYY C35H49N7O12S2 823.2881 NA PeJP NA NA +PJ044755 DDDHHW C35H41N11O13 823.2886 NA PeJP NA NA +PJ044756 GTEEEEM C31H49N7O17S 823.2906 NA PeJP NA NA +PJ044757 GPEEMMM C32H53N7O12S3 823.2915 NA PeJP NA NA +PJ044758 SSCNNNW C32H45N11O13S 823.2919 NA PeJP NA NA +PJ044759 GGGGGGSSCW C32H45N11O13S 823.292 NA PeJP NA NA +PJ044760 GPCCCRW C33H49N11O8S3 823.2928 NA PeJP NA NA +PJ044761 SSSSNNND C28H45N11O18 823.2944 NA PeJP NA NA +PJ044762 GGGGGGSSSSD C28H45N11O18 823.2945 NA PeJP NA NA +PJ044763 GCNDEMR C29H49N11O13S2 823.2953 NA PeJP NA NA +MJ095526 NS Antibiotic complex; NS4 C31H53NO24 823.295751 NA MeJP NA NA +MJ095527 NS Antibiotic complex; NS5 C31H53NO24 823.295751 NA MeJP NA NA +PJ044764 SCNEWW C37H45N9O11S 823.2959 NA PeJP NA NA +PJ044765 GGSCEWW C37H45N9O11S 823.296 NA PeJP NA NA +PJ044766 CCCCKKH C30H53N11O8S4 823.2962 NA PeJP NA NA +PJ044767 SSTNDDW C33H45N9O16 823.2984 NA PeJP NA NA +PJ044768 SSSNDEW C33H45N9O16 823.2985 NA PeJP NA NA +PJ044769 NNEMMW C34H49N9O11S2 823.2993 NA PeJP NA NA +PJ044770 SSNQEEM C30H49N9O16S 823.3018 NA PeJP NA NA +PJ044771 PDDEYW C38H45N7O14 823.3025 NA PeJP NA NA +PJ044772 SSTMMMH C31H53N9O11S3 823.3027 NA PeJP NA NA +PJ044773 GNNDMHH C31H45N13O12S 823.3032 NA PeJP NA NA +PJ044774 CNMFFY C39H49N7O9S2 823.3033 NA PeJP NA NA +PJ044775 GGCMFFY C39H49N7O9S2 823.3034 NA PeJP NA NA +PJ044776 SSSSMYY C35H49N7O14S 823.3058 NA PeJP NA NA +PJ044777 TEEEMW C35H49N7O14S 823.3059 NA PeJP NA NA +PJ044778 SCCNNQR C28H49N13O12S2 823.3065 NA PeJP NA NA +PJ044779 GCCDDRR C28H49N13O12S2 823.3066 NA PeJP NA NA +PJ044780 PEMMMW C36H53N7O9S3 823.3067 NA PeJP NA NA +PJ044781 STTEEEE C31H49N7O19 823.3083 NA PeJP NA NA +PJ044782 TTTDEEE C31H49N7O19 823.3084 NA PeJP NA NA +PJ044783 GVEEEMM C32H53N7O14S2 823.3092 NA PeJP NA NA +PJ044784 GNNNNEY C32H45N11O15 823.3097 NA PeJP NA NA +PJ044785 SPPMMMM C33H57N7O9S4 823.3101 NA PeJP NA NA +PJ044786 CNDMRW C33H49N11O10S2 823.3106 NA PeJP NA NA +PJ044787 GSCWWW C41H45N9O8S 823.3112 NA PeJP NA NA +PJ044788 SSNDDMR C29H49N11O15S 823.3131 NA PeJP NA NA +PJ044789 GSSSDWW C37H45N9O13 823.3137 NA PeJP NA NA +PJ044790 SPCCQMR C30H53N11O10S3 823.3139 NA PeJP NA NA +PJ044791 GNMMWW C38H49N9O8S2 823.3146 NA PeJP NA NA +PJ044792 GSSQEMW C34H49N9O13S 823.3171 NA PeJP NA NA +PJ044793 GPCCKMW C35H53N9O8S3 823.318 NA PeJP NA NA +PJ044794 CNQHHW C35H45N13O9S 823.3184 NA PeJP NA NA +PJ044795 GSSSTQEE C30H49N9O18 823.3196 NA PeJP NA NA +PJ044796 GTQQEMM C31H53N9O13S2 823.3204 NA PeJP NA NA +PJ044797 EEEMMR C31H53N9O13S2 823.3205 NA PeJP NA NA +PJ044798 SSNNEHH C31H45N13O14 823.3209 NA PeJP NA NA +PJ044799 GGGGGGPNDH C31H45N13O14 823.321 NA PeJP NA NA +PJ044800 PDEMFW C39H49N7O11S 823.3211 NA PeJP NA NA +PJ044801 GPTEEEY C35H49N7O16 823.3236 NA PeJP NA NA +PJ044802 GSSSCNNR C28H49N13O14S 823.3243 NA PeJP NA NA +PJ044803 VEEMMW C36H53N7O11S2 823.3245 NA PeJP NA NA +PJ044804 NNNNYW C36H45N11O12 823.3249 NA PeJP NA NA +PJ044805 GGGGNNYW C36H45N11O12 823.325 NA PeJP NA NA +PJ044806 SPCCCRR C29H53N13O9S3 823.3252 NA PeJP NA NA +PJ044807 ACCRWW C37H49N11O7S2 823.3258 NA PeJP NA NA +PJ044808 SSLEEEM C32H53N7O16S 823.327 NA PeJP NA NA +PJ044809 SPVEMMM C33H57N7O11S3 823.3278 NA PeJP NA NA +PJ044810 PVTDMMM C33H57N7O11S3 823.3279 NA PeJP NA NA +PJ044811 GSSCERW C33H49N11O12S 823.3283 NA PeJP NA NA +PJ044812 GGGGGGGGAMF C33H49N11O12S 823.3284 NA PeJP NA NA +PJ044813 GNDFWW C41H45N9O10 823.329 NA PeJP NA NA +PJ044814 CMMHFR C34H53N11O7S3 823.3292 NA PeJP NA NA +PJ044815 GPCHHHH C34H45N15O8S 823.3297 NA PeJP NA NA +PJ044816 GSSSSDER C29H49N11O17 823.3308 NA PeJP NA NA +PJ044817 GSNEMMR C30H53N11O12S2 823.3317 NA PeJP NA NA +PJ044818 SSQMWW C38H49N9O10S 823.3323 NA PeJP NA NA +PJ044819 GGGGPMYW C38H49N9O10S 823.3324 NA PeJP NA NA +PJ044820 SSSTQEW C34H49N9O15 823.3348 NA PeJP NA NA +PJ044821 GGAAQEEY C34H49N9O15 823.3349 NA PeJP NA NA +PJ044822 NDKMMW C35H53N9O10S2 823.3357 NA PeJP NA NA +PJ044823 GSSNHHW C35H45N13O11 823.3362 NA PeJP NA NA +PJ044824 CNFFFF C43H49N7O8S 823.3364 NA PeJP NA NA +PJ044825 SSNKEEM C31H53N9O15S 823.3382 NA PeJP NA NA +PJ044826 STQYYY C39H49N7O13 823.3388 NA PeJP NA NA +PJ044827 PTEEYW C39H49N7O13 823.3389 NA PeJP NA NA +PJ044828 GVQQMMM C32H57N9O10S3 823.3391 NA PeJP NA NA +PJ044829 ASNQMHH C32H49N13O11S 823.3395 NA PeJP NA NA +PJ044830 GCNNNFR C32H49N13O11S 823.3396 NA PeJP NA NA +PJ044831 PPMMYW C40H53N7O8S2 823.3397 NA PeJP NA NA +PJ044832 GPVEEMY C36H53N7O13S 823.3422 NA PeJP NA NA +PJ044833 GSCDMRR C29H53N13O11S2 823.3429 NA PeJP NA NA +PJ044834 APPMMMF C37H57N7O8S3 823.3431 NA PeJP NA NA +PJ044835 SSCRWW C37H49N11O9S 823.3436 NA PeJP NA NA +PJ044836 ATLEEMM C33H57N7O13S2 823.3456 NA PeJP NA NA +PJ044837 SSSSDRW C33H49N11O14 823.3461 NA PeJP NA NA +PJ044838 APLMMMM C34H61N7O8S4 823.3465 NA PeJP NA NA +PJ044839 SNMMRW C34H53N11O9S2 823.3469 NA PeJP NA NA +PJ044840 GGSMMRW C34H53N11O9S2 823.347 NA PeJP NA NA +PJ044841 QEHHHH C34H45N15O10 823.3474 NA PeJP NA NA +PJ044842 GMHFFW C42H49N9O7S 823.3476 NA PeJP NA NA +PJ044843 SSSQEMR C30H53N11O14S 823.3494 NA PeJP NA NA +PJ044844 GGSSTEMR C30H53N11O14S 823.3495 NA PeJP NA NA +PJ044845 GSSTTWW C38H49N9O12 823.3501 NA PeJP NA NA +PJ044846 QQMMMR C31H57N11O9S3 823.3503 NA PeJP NA NA +PJ044847 GSCQHHR C31H49N15O10S 823.3508 NA PeJP NA NA +PJ044848 ACKMWW C39H53N9O7S2 823.351 NA PeJP NA NA +3737 NA YPFGFHG 823.351 ACE inhibitor Inhouse_peptide NA peptide +PJ044849 GSSKEMW C35H53N9O12S 823.3535 NA PeJP NA NA +MJ095528 Virginiamycin S1 C43H49N7O10 823.35409 NA MeJP NA NA +C11269 Virginiamycin S1 C43H49N7O10 823.3541 NA KEGG NA NA +C11270 Transferred to D01058 C43H49N7O10 823.3541 NA KEGG NA NA +PJ044850 PPDFYW C43H49N7O10 823.3541 NA PeJP NA NA +PJ044851 KMMMHF C36H57N9O7S3 823.3543 NA PeJP NA NA +PJ044852 CNKHHW C36H49N13O8S 823.3548 NA PeJP NA NA +PJ044853 GSSSTKEE C31H53N9O17 823.356 NA PeJP NA NA +PJ044854 GTQKEMM C32H57N9O12S2 823.3568 NA PeJP NA NA +PJ044855 GGATKEMM C32H57N9O12S2 823.3569 NA PeJP NA NA +PJ044856 GSNNNRY C32H49N13O13 823.3573 NA PeJP NA NA +PJ044857 PVEMYW C40H53N7O10S 823.3575 NA PeJP NA NA +PJ044858 TCCRRW C33H53N13O8S2 823.3582 NA PeJP NA NA +PJ044859 AALEEEY C36H53N7O15 823.36 NA PeJP NA NA +PJ044860 SSSCERR C29H53N13O13S 823.3607 NA PeJP NA NA +PJ044861 SPPVMMY C37H57N7O10S2 823.3609 NA PeJP NA NA +PJ044862 GNERYW C37H49N11O11 823.3613 NA PeJP NA NA +PJ044863 GGAAPEHW C37H49N11O11 823.3614 NA PeJP NA NA +PJ044864 CQMMRR C30H57N13O8S3 823.3616 NA PeJP NA NA +PJ044865 AHHHHW C38H45N15O7 823.3627 NA PeJP NA NA +PJ044866 TTTLEEM C33H57N7O15S 823.3634 NA PeJP NA NA +PJ044867 GLLEMMM C34H61N7O10S3 823.3642 NA PeJP NA NA +PJ044868 GSSTMRW C34H53N11O11S 823.3647 NA PeJP NA NA +PJ044869 STHFFW C42H49N9O9 823.3653 NA PeJP NA NA +PJ044870 AAQYWW C42H49N9O9 823.3654 NA PeJP NA NA +PJ044871 GSSSTTER C30H53N11O16 823.3672 NA PeJP NA NA +PJ044872 GSDKMMR C31H57N11O11S2 823.3681 NA PeJP NA NA +PJ044873 SSSNHHR C31H49N15O12 823.3685 NA PeJP NA NA +PJ044874 GGSSSHHR C31H49N15O12 823.3686 NA PeJP NA NA +PJ044875 SSKMWW C39H53N9O9S 823.3687 NA PeJP NA NA +PJ044876 SSSTKEW C35H53N9O14 823.3712 NA PeJP NA NA +PJ044877 GGGPPPVDE C35H53N9O14 823.3713 NA PeJP NA NA +PJ044878 TQKMMW C36H57N9O9S2 823.3721 NA PeJP NA NA +PJ044879 PNDHRW C36H49N13O10 823.3726 NA PeJP NA NA +PJ044880 PPMFFW C44H53N7O7S 823.3728 NA PeJP NA NA +PJ044881 SSDKKEM C32H57N9O14S 823.3746 NA PeJP NA NA +PJ044882 LLDDYW C40H53N7O12 823.3752 NA PeJP NA NA +PJ044883 VVEEYW C40H53N7O12 823.3753 NA PeJP NA NA +PJ044884 GVQKMMM C33H61N9O9S3 823.3755 NA PeJP NA NA +PJ044885 CNEFRR C33H53N13O10S 823.3759 NA PeJP NA NA +PJ044886 GGCEFRR C33H53N13O10S 823.376 NA PeJP NA NA +PJ044887 PLMMFW C41H57N7O7S2 823.3761 NA PeJP NA NA +PJ044888 NRYWW C41H49N11O8 823.3766 NA PeJP NA NA +PJ044889 APTLEMY C37H57N7O12S 823.3786 NA PeJP NA NA +PJ044890 GSSMMRR C30H57N13O10S2 823.3793 NA PeJP NA NA +PJ044891 LLMMMW C38H61N7O7S3 823.3795 NA PeJP NA NA +PJ044892 GQMFRW C38H53N11O8S 823.38 NA PeJP NA NA +PJ044893 STLLEMM C34H61N7O12S2 823.382 NA PeJP NA NA +PJ044894 SSSTTRW C34H53N11O13 823.3824 NA PeJP NA NA +PJ044895 NDKERY C34H53N11O13 823.3825 NA PeJP NA NA +PJ044896 TCKMRW C35H57N11O8S2 823.3833 NA PeJP NA NA +PJ044897 NNHHFR C35H49N15O9 823.3838 NA PeJP NA NA +PJ044898 SSSKEMR C31H57N11O13S 823.3858 NA PeJP NA NA +PJ044899 AQKEYW C39H53N9O11 823.3865 NA PeJP NA NA +PJ044900 QKMMMR C32H61N11O8S3 823.3867 NA PeJP NA NA +PJ044901 GSCKHHR C32H53N15O9S 823.3872 NA PeJP NA NA +PJ044902 GTTTKMW C36H57N9O11S 823.3898 NA PeJP NA NA +PJ044903 ASPQKMY C36H57N9O11S 823.3899 NA PeJP NA NA +PJ044904 PPVYYW C44H53N7O9 823.3905 NA PeJP NA NA +PJ044905 GCFRRW C37H53N13O7S 823.3912 NA PeJP NA NA +PJ044906 SSSSSLKE C32H57N9O16 823.3923 NA PeJP NA NA +PJ044907 ASSTTTKE C32H57N9O16 823.3924 NA PeJP NA NA +PJ044908 GTKKEMM C33H61N9O11S2 823.3932 NA PeJP NA NA +PJ044909 SNERRY C33H53N13O12 823.3937 NA PeJP NA NA +PJ044910 VLEMFW C41H57N7O9S 823.3939 NA PeJP NA NA +PJ044911 LMMHHR C34H57N13O7S2 823.3946 NA PeJP NA NA +PJ044912 THHHHR C34H49N17O8 823.395 NA PeJP NA NA +PJ044913 GTLLEEY C37H57N7O14 823.3964 NA PeJP NA NA +PJ044914 SSSTMRR C30H57N13O12S 823.3971 NA PeJP NA NA +PJ044915 GPLLMMY C38H61N7O9S2 823.3973 NA PeJP NA NA +PJ044916 GDKRYW C38H53N11O10 823.3977 NA PeJP NA NA +PJ044917 CKMMRR C31H61N13O7S3 823.3979 NA PeJP NA NA +PJ044918 SVLLMMM C35H65N7O9S3 823.4006 NA PeJP NA NA +PJ044919 VQQMRY C35H57N11O10S 823.4011 NA PeJP NA NA +PJ044920 AAKYWW C43H53N9O8 823.4017 NA PeJP NA NA +PJ044921 GGLHFFF C43H53N9O8 823.4018 NA PeJP NA NA +PJ044922 SSSSSTLR C31H57N11O15 823.4036 NA PeJP NA NA +PJ044923 GTTKMMR C32H61N11O10S2 823.4045 NA PeJP NA NA +PJ044924 GSPDHRR C32H53N15O11 823.4049 NA PeJP NA NA +PJ044925 GGGGGVQHR C32H53N15O11 823.405 NA PeJP NA NA +PJ044926 PCKKYW C40H57N9O8S 823.4051 NA PeJP NA NA +PJ044927 STTTTKW C36H57N9O13 823.4076 NA PeJP NA NA +PJ044928 TKKMMW C37H61N9O8S2 823.4085 NA PeJP NA NA +PJ044929 GSRRYW C37H53N13O9 823.409 NA PeJP NA NA +PJ044930 STTKKEM C33H61N9O13S 823.411 NA PeJP NA NA +PJ044931 TLLEYW C41H57N7O11 823.4116 NA PeJP NA NA +PJ044932 GVKKMMM C34H65N9O8S3 823.4119 NA PeJP NA NA +PJ044933 AQMRRY C34H57N13O9S 823.4123 NA PeJP NA NA +PJ044934 APKHWW C42H53N11O7 823.413 NA PeJP NA NA +PJ044935 GVLLEMY C38H61N7O11S 823.415 NA PeJP NA NA +PJ044936 NNQHRR C31H53N17O10 823.4162 NA PeJP NA NA +PJ044937 GKMFRW C39H57N11O7S 823.4164 NA PeJP NA NA +PJ044938 TQKERY C35H57N11O12 823.4188 NA PeJP NA NA +PJ044939 GATKERY C35H57N11O12 823.4189 NA PeJP NA NA +PJ044940 STTTKMR C32H61N11O12S 823.4222 NA PeJP NA NA +PJ044941 AKKEYW C40H57N9O10 823.4229 NA PeJP NA NA +PJ044942 KKMMMR C33H65N11O7S3 823.4231 NA PeJP NA NA +PJ044943 ACRRRY C33H57N15O8S 823.4236 NA PeJP NA NA +PJ044944 LLEMRY C37H61N9O10S 823.4262 NA PeJP NA NA +PJ044945 GGGVLKMY C37H61N9O10S 823.4263 NA PeJP NA NA +PJ044946 PVLFYW C45H57N7O8 823.4269 NA PeJP NA NA +PJ044947 SSSTTTLK C33H61N9O15 823.4287 NA PeJP NA NA +PJ044948 SSLKKMM C34H65N9O10S2 823.4296 NA PeJP NA NA +PJ044949 SDKRRY C34H57N13O11 823.4301 NA PeJP NA NA +PJ044950 VLLMYW C42H61N7O8S 823.4303 NA PeJP NA NA +PJ044951 SSLLLEY C38H61N7O13 823.4328 NA PeJP NA NA +PJ044952 GLLLMMF C39H65N7O8S2 823.4336 NA PeJP NA NA +PJ044953 ATKRYW C39H57N11O9 823.4341 NA PeJP NA NA +PJ044954 PCHRRR C32H57N17O7S 823.4348 NA PeJP NA NA +PJ044955 VQKMRY C36H61N11O9S 823.4375 NA PeJP NA NA +PJ044956 VKHFFF C44H57N9O7 823.4381 NA PeJP NA NA +PJ044957 SCCKKKK C33H65N11O9S2 823.4408 NA PeJP NA NA +PJ044958 SSRRRY C33H57N15O10 823.4413 NA PeJP NA NA +PJ044959 CLKKFW C41H61N9O7S 823.4415 NA PeJP NA NA +PJ044960 KKKEEY C37H61N9O12 823.444 NA PeJP NA NA +PJ044961 PTKHRW C38H57N13O8 823.4453 NA PeJP NA NA +PJ044962 GGVLHRW C38H57N13O8 823.4454 NA PeJP NA NA +PJ044963 GPVLLYY C42H61N7O10 823.448 NA PeJP NA NA +PJ044964 AKMRRY C35H61N13O8S 823.4487 NA PeJP NA NA +MJ095529 Chivosazole E C46H65NO12 823.450676 NA MeJP NA NA +C15732 Chivosazole E C46H65NO12 823.4507 NA KEGG NA NA +PJ044965 ATLLLMY C39H65N7O10S 823.4514 NA PeJP NA NA +PJ044966 AEHRRR C32H57N17O9 823.4526 NA PeJP NA NA +3105 fragment of anafylatoxin C3a:70-77 ASHLGLAR 823.454 celiac toxic Inhouse_peptide NA peptide +3812 smooth muscles contracting peptide ASHLGLAR 823.454 ACE inhibitor Inhouse_peptide NA peptide +PJ044967 TKKERY C36H61N11O11 823.4552 NA PeJP NA NA +PJ044968 GGPPVLER C36H61N11O11 823.4553 NA PeJP NA NA +PJ044969 GLHRRW C37H57N15O7 823.4566 NA PeJP NA NA +PJ044970 SLKKYW C41H61N9O9 823.4593 NA PeJP NA NA +PJ044971 PKMHRR C34H61N15O7S 823.4599 NA PeJP NA NA +PJ044972 AALKKMY C38H65N9O9S 823.4626 NA PeJP NA NA +PJ044973 VLLFFW C46H61N7O7 823.4633 NA PeJP NA NA +PJ044974 TTKRRY C35H61N13O10 823.4665 NA PeJP NA NA +PJ044975 TTTLLLY C39H65N7O12 823.4691 NA PeJP NA NA +PJ044976 GPPVLRW C40H61N11O8 823.4705 NA PeJP NA NA +MJ095530 Solanidine; O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranosyl-(1?4)-?-D-xylopyranoside] C43H69NO14 823.471805 NA MeJP NA NA +PJ044977 VKKMRY C37H65N11O8S 823.4739 NA PeJP NA NA +PJ044978 VKEHRR C34H61N15O9 823.4777 NA PeJP NA NA +PJ044979 ATTLKKY C38H65N9O11 823.4804 NA PeJP NA NA +PJ044980 PPLRRW C39H61N13O7 823.4817 NA PeJP NA NA +PJ044981 GVLLLFY C43H65N7O9 823.4844 NA PeJP NA NA +PJ044982 SLHRRR C33H61N17O8 823.4889 NA PeJP NA NA +PJ044983 PPVVKER C37H65N11O10 823.4916 NA PeJP NA NA +PJ044984 APPILKW C42H65N9O8 823.4956 NA PeJP NA NA +PJ044985 APPLLKW C42H65N9O8 823.4957 NA PeJP NA NA +PJ044986 VVLLLMH C39H69N9O8S 823.499 NA PeJP NA NA +PJ044987 SPPVLRR C36H65N13O9 823.5029 NA PeJP NA NA +PJ044988 LLKKHW C41H65N11O7 823.5069 NA PeJP NA NA +PJ044989 QKKKHR C35H65N15O8 823.5141 NA PeJP NA NA +PJ044990 PPLLKKE C39H69N9O10 823.5168 NA PeJP NA NA +PJ044991 PPTLLKR C38H69N11O9 823.528 NA PeJP NA NA +PJ044992 APVLLRR C37H69N13O8 823.5392 NA PeJP NA NA +PJ044993 GPLLLRR C37H69N13O8 823.5393 NA PeJP NA NA +PJ044994 KKKKHR C36H69N15O7 823.5505 NA PeJP NA NA +PJ044995 PLLLLQK C40H73N9O9 823.5532 NA PeJP NA NA +MJ095531 Chasmanine; 14-O-(4-Methoxybenzoyl), 8-O-hexadecanoyl C49H77NO9 823.559833 NA MeJP NA NA +PJ044996 PVVLLKR C39H73N11O8 823.5644 NA PeJP NA NA +PJ044997 PLLLLKK C41H77N9O8 823.5895 NA PeJP NA NA +HMDB09146 PE(18:3(6Z,9Z,12Z)/24:1(15Z)) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB09179 PE(18:3(9Z,12Z,15Z)/24:1(15Z)) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB09211 PE(18:4(6Z,9Z,12Z,15Z)/24:0) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB09240 PE(20:0/22:4(7Z,10Z,13Z,16Z)) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB09305 PE(20:2(11Z,14Z)/22:2(13Z,16Z)) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB09337 PE(20:3(5Z,8Z,11Z)/22:1(13Z)) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB09370 PE(20:3(8Z,11Z,14Z)/22:1(13Z)) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB09402 PE(20:4(5Z,8Z,11Z,14Z)/22:0) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB09435 PE(20:4(8Z,11Z,14Z,17Z)/22:0) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB09498 PE(22:0/20:4(5Z,8Z,11Z,14Z)) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB09499 PE(22:0/20:4(8Z,11Z,14Z,17Z)) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB09529 PE(22:1(13Z)/20:3(5Z,8Z,11Z)) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB09530 PE(22:1(13Z)/20:3(8Z,11Z,14Z)) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB09561 PE(22:2(13Z,16Z)/20:2(11Z,14Z)) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB09592 PE(22:4(7Z,10Z,13Z,16Z)/20:0) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB09723 PE(24:0/18:4(6Z,9Z,12Z,15Z)) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB09754 PE(24:1(15Z)/18:3(6Z,9Z,12Z)) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB09755 PE(24:1(15Z)/18:3(9Z,12Z,15Z)) C47H86NO8P 823.609131 NA HMDB2010 NA NA +HMDB08621 PC(22:2(13Z,16Z)/P-18:1(11Z)) C48H90NO7P 823.645508 NA HMDB2010 NA NA +HMDB08622 PC(22:2(13Z,16Z)/P-18:1(9Z)) C48H90NO7P 823.645508 NA HMDB2010 NA NA +HMDB11291 PC(P-18:1(11Z)/22:2(13Z,16Z)) C48H90NO7P 823.645508 NA HMDB2010 NA NA +HMDB11324 PC(P-18:1(9Z)/22:2(13Z,16Z)) C48H90NO7P 823.645508 NA HMDB2010 NA NA +HMDB13442 PC(o-20:0/20:4(8Z,11Z,14Z,17Z)) C48H90NO7P 823.645508 NA HMDB2010 NA NA +MJ095532 2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxytricosanoyl), 1-O-?-D-glucopyranoside C48H89NO9 823.653733 NA MeJP NA NA +EUR1136 SM(d18:1/26:3) [M-H-CH3]- C49H94N2O6P 823.669301 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1136 SM(d18:1/26:3) [M-H-CH3]- C49H94N2O6P 823.669301 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1136 SM(d18:1/26:3) [M-H-CH3]- C49H94N2O6P 823.669301 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1136 SM(d18:1/26:3) [M-H-CH3]- C49H94N2O6P 823.669301 masses lipides attendues Inhousejuil11 NA NA +6996 potential coeliac toxic peptide (extended motif) QPFPPQQPYPQPQP 823.8925 MH2+ Inhouse_peptide NA peptide +5318 aurein 2,5 GLFDIVKKVVGAFGSL~ 823.9774 MH2+ Inhouse_peptide NA peptide +PJ044998 GCCCCCCM C25H44N8O9S7 824.1277 NA PeJP NA NA +PJ044999 STCCCCCC C25H44N8O11S6 824.1454 NA PeJP NA NA +MJ095533 Diazaphilonic acid C42H32O18 824.158864 NA MeJP NA NA +PJ045000 CCCCCQY C29H44N8O10S5 824.1784 NA PeJP NA NA +PJ045001 GPCCCCCH C28H44N10O9S5 824.1897 NA PeJP NA NA +FL5FAAGL0076 Kaempferol 3-(2'',3''-diacetyl-4''-(Z)-p-coumaryl-6''-(E)-p-coumarylglucoside) C43H36O17 824.19524 137018-29-2 knapsack NA NA +FL5FAAGL0077 Kaempferol 3-(3'',4''-diacetyl-2'',6''-di-(E)-p-coumarylglucoside) C43H36O17 824.19524 137018-33-8 knapsack NA NA +MJ095534 3,4',5,7-Tetrahydroxyflavone; 3-O-[3,6-Di-O-acetyl-2,4-di-O-(4-hydroxycinnamoyl)-?-D-glucopyranoside] C43H36O17 824.195249 NA MeJP NA NA +MJ095535 Astragalin; 2'',6''-Bis-O-(4-hydroxycinnamoyl), 3'',4''-di-Ac C43H36O17 824.195249 NA MeJP NA NA +MJ095536 Astragalin; 4''-O-(Z-4-Hydroxycinnamoyl), 6''-O-(E-4-hydroxycinnamoyl), 2'',3''-di-Ac C43H36O17 824.195249 NA MeJP NA NA +PJ045002 GSSCCCCY C29H44N8O12S4 824.1962 NA PeJP NA NA +PJ045003 CCCNDMH C28H44N10O11S4 824.2074 NA PeJP NA NA +PJ045004 CNDDDDE C28H40N8O19S 824.2131 NA PeJP NA NA +PJ045005 CCCCCKY C30H48N8O9S5 824.2148 NA PeJP NA NA +PJ045006 ACCCCHW C32H44N10O8S4 824.2227 NA PeJP NA NA +PJ045007 GSSCCCEH C28H44N10O13S3 824.2252 NA PeJP NA NA +PJ045008 GCDDDDW C32H40N8O16S 824.2283 NA PeJP NA NA +PJ045009 GCCCNYY C33H44N8O11S3 824.2292 NA PeJP NA NA +PJ045010 GSSDDDDD C28H40N8O21 824.2308 NA PeJP NA NA +PJ045011 GSPCCDDE C29H44N8O16S2 824.2317 NA PeJP NA NA +PJ045012 GPPCCCDM C30H48N8O11S4 824.2326 NA PeJP NA NA +PJ045013 SSCCCHW C32H44N10O10S3 824.2404 NA PeJP NA NA +PJ045014 SSSSCCDH C28H44N10O15S2 824.2429 NA PeJP NA NA +PJ045015 GGGGGGCDDM C28H44N10O15S2 824.243 NA PeJP NA NA +PJ045016 SCCNMMH C29H48N10O10S4 824.2438 NA PeJP NA NA +PJ045017 SPCCDDW C33H44N8O13S2 824.247 NA PeJP NA NA +PJ045018 SNDDDEM C29H44N8O18S 824.2495 NA PeJP NA NA +PJ045019 PCNDDMM C30H48N8O13S3 824.2503 NA PeJP NA NA +PJ045020 GSCCNNNN C27H44N12O14S2 824.2542 NA PeJP NA NA +PJ045021 CDMMYY C35H48N6O11S3 824.2543 NA PeJP NA NA +PJ045022 TCCCCHR C28H48N12O9S4 824.255 NA PeJP NA NA +PJ045023 GCCNNEW C32H44N10O12S2 824.2582 NA PeJP NA NA +PJ045024 SCDDDDR C28H44N10O17S 824.2607 NA PeJP NA NA +PJ045025 PCCCDER C29H48N10O12S3 824.2616 NA PeJP NA NA +PJ045026 GSDDDMW C33H44N8O15S 824.2647 NA PeJP NA NA +PJ045027 GPCCEMW C34H48N8O10S3 824.2656 NA PeJP NA NA +PJ045028 GSSSDDEE C29H44N8O20 824.2672 NA PeJP NA NA +PJ045029 GNDEEMM C30H48N8O15S2 824.2681 NA PeJP NA NA +PJ045030 CDDFYY C38H44N6O13S 824.2687 NA PeJP NA NA +PJ045031 GSPPCCMM C31H52N8O10S4 824.269 NA PeJP NA NA +PJ045032 PCCNDHH C31H44N12O11S2 824.2694 NA PeJP NA NA +PJ045033 CMMMFY C36H52N6O8S4 824.273 NA PeJP NA NA +PJ045034 CCNNWW C36H44N10O9S2 824.2734 NA PeJP NA NA +PJ045035 GGGGCCWW C36H44N10O9S2 824.2735 NA PeJP NA NA +FL5FAAGI0011 Ikarisoside C C38H48O20 824.27389 113558-11-5 knapsack NA NA +MJ095537 3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C38H48O20 824.273893 NA MeJP NA NA +MJ095538 Neooleuropein; 6'-O-?-D-Glucopyranosyl C38H48O20 824.273893 NA MeJP NA NA +MJ095539 Ussurienoside I; O-De-Me, 3'-O-[4-methoxy-E-cinnamoyl-(?2)-?-D-glucopyranoside] C38H48O20 824.273893 NA MeJP NA NA +PJ045036 SSCNNDW C32H44N10O14S 824.2759 NA PeJP NA NA +PJ045037 GGSSCNDW C32H44N10O14S 824.276 NA PeJP NA NA +PJ045038 GCCQMHF C33H48N10O9S3 824.2768 NA PeJP NA NA +PJ045039 SSSSNNDD C28H44N10O19 824.2784 NA PeJP NA NA +PJ045040 GGSSSSNDD C28H44N10O19 824.2785 NA PeJP NA NA +PJ045041 GCDDEMR C29H48N10O14S2 824.2793 NA PeJP NA NA +PJ045042 SCDEWW C37H44N8O12S 824.28 NA PeJP NA NA +PJ045043 TCCCKMH C30H52N10O9S4 824.2802 NA PeJP NA NA +PJ045044 PCCMWW C38H48N8O7S3 824.2808 NA PeJP NA NA +PJ045045 SSSDDEW C33H44N8O17 824.2825 NA PeJP NA NA +PJ045046 NDEMMW C34H48N8O12S2 824.2833 NA PeJP NA NA +PJ045047 GGPPCCEY C34H48N8O12S2 824.2834 NA PeJP NA NA +PJ045048 SSNEEEM C30H48N8O17S 824.2858 NA PeJP NA NA +PJ045049 GGSSEEEM C30H48N8O17S 824.2859 NA PeJP NA NA +PJ045050 SDDYYY C38H44N6O15 824.2865 NA PeJP NA NA +PJ045051 SPNDMMM C31H52N8O12S3 824.2867 NA PeJP NA NA +PJ045052 GNDDMHH C31H44N12O13S 824.2872 NA PeJP NA NA +PJ045053 CDMFFY C39H48N6O10S2 824.2874 NA PeJP NA NA +PJ045054 GCCCHFR C32H48N12O8S3 824.2881 NA PeJP NA NA +PJ045055 SCCNNER C28H48N12O13S2 824.2905 NA PeJP NA NA +PJ045056 GGSCCNER C28H48N12O13S2 824.2906 NA PeJP NA NA +PJ045057 SMMMYY C36H52N6O10S3 824.2907 NA PeJP NA NA +PJ045058 GNNNDEY C32H44N10O16 824.2937 NA PeJP NA NA +PJ045059 CDDMRW C33H48N10O11S2 824.2946 NA PeJP NA NA +PJ045060 SSDDDMR C29H48N10O16S 824.2971 NA PeJP NA NA +PJ045061 NDDEFW C37H44N8O14 824.2977 NA PeJP NA NA +PJ045062 SPCCEMR C30H52N10O11S3 824.2979 NA PeJP NA NA +PJ045063 GGGNQMMM C30H52N10O11S3 824.298 NA PeJP NA NA +PJ045064 SCNNNHH C30H44N14O12S 824.2984 NA PeJP NA NA +PJ045065 GDMMWW C38H48N8O9S2 824.2986 NA PeJP NA NA +PJ045066 GSSEEMW C34H48N8O14S 824.3011 NA PeJP NA NA +PJ045067 GPTCMMW C35H52N8O9S3 824.302 NA PeJP NA NA +PJ045068 CNEHHW C35H44N12O10S 824.3024 NA PeJP NA NA +PJ045069 GSSSTEEE C30H48N8O19 824.3036 NA PeJP NA NA +PJ045070 GTQEEMM C31H52N8O14S2 824.3045 NA PeJP NA NA +PJ045071 SSNDEHH C31H44N12O15 824.3049 NA PeJP NA NA +PJ045072 GGSSDEHH C31H44N12O15 824.305 NA PeJP NA NA +PJ045073 GEMYYY C39H48N6O12S 824.3051 NA PeJP NA NA +PJ045074 GPQMMMM C32H56N8O9S4 824.3053 NA PeJP NA NA +PJ045075 GGAPMMMM C32H56N8O9S4 824.3054 NA PeJP NA NA +PJ045076 GSCCNRW C32H48N12O10S2 824.3058 NA PeJP NA NA +PJ045077 CMMFFF C40H52N6O7S3 824.306 NA PeJP NA NA +MJ095540 Antibiotic A 21459B C40H44N10O8S 824.306429 NA MeJP NA NA +PJ045078 GSSSCNDR C28H48N12O15S 824.3083 NA PeJP NA NA +PJ045079 NNNDYW C36H44N10O13 824.309 NA PeJP NA NA +PJ045080 GCNNMMR C29H52N12O10S3 824.3092 NA PeJP NA NA +PJ045081 SSSNNMW C33H48N10O13S 824.3123 NA PeJP NA NA +PJ045082 GGGGGGPTCY C33H48N10O13S 824.3124 NA PeJP NA NA +PJ045083 GDDFWW C41H44N8O11 824.313 NA PeJP NA NA +PJ045084 PPCCCFR C34H52N10O8S3 824.3132 NA PeJP NA NA +PJ045085 SSSSSNQE C29H48N10O18 824.3148 NA PeJP NA NA +PJ045086 GSDEMMR C30H52N10O13S2 824.3157 NA PeJP NA NA +PJ045087 SSEMWW C38H48N8O11S 824.3163 NA PeJP NA NA +PJ045088 PNDMYW C38H48N8O11S 824.3164 NA PeJP NA NA +PJ045089 GPCMMMR C31H56N10O8S4 824.3166 NA PeJP NA NA +PJ045090 GCHHWW C39H44N12O7S 824.3177 NA PeJP NA NA +PJ045091 SSSTEEW C34H48N8O16 824.3188 NA PeJP NA NA +PJ045092 QQEEEY C34H48N8O16 824.3189 NA PeJP NA NA +PJ045093 TQEMMW C35H52N8O11S2 824.3197 NA PeJP NA NA +PJ045094 GSSDHHW C35H44N12O12 824.3202 NA PeJP NA NA +PJ045095 MYYYW C43H48N6O9S 824.3204 NA PeJP NA NA +PJ045096 SSDKEEM C31H52N8O16S 824.3222 NA PeJP NA NA +PJ045097 STEYYY C39H48N6O14 824.3229 NA PeJP NA NA +PJ045098 GVQEMMM C32H56N8O11S3 824.3231 NA PeJP NA NA +PJ045099 GCNNDFR C32H48N12O12S 824.3236 NA PeJP NA NA +PJ045100 AMMFYY C40H52N6O9S2 824.3237 NA PeJP NA NA +MJ095541 4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 11-O-(2-Acetoxy-3-phenyl-2Z-propenoyl), hexa-Ac C43H52O16 824.325535 NA MeJP NA NA +MJ095542 Saquayamycin A; 2'',3'',2C'',3C''-Tetrahydro C43H52O16 824.325535 NA MeJP NA NA +PJ045101 SSCNQMR C29H52N12O12S2 824.3269 NA PeJP NA NA +PJ045102 GGGGSTCMR C29H52N12O12S2 824.327 NA PeJP NA NA +PJ045103 NNNMFW C37H48N10O10S 824.3276 NA PeJP NA NA +PJ045104 GSSSSSQW C33H48N10O15 824.3301 NA PeJP NA NA +PJ045105 SDMMRW C34H52N10O10S2 824.331 NA PeJP NA NA +PJ045106 EEHHHH C34H44N14O11 824.3314 NA PeJP NA NA +PJ045107 APCYWW C42H48N8O8S 824.3316 NA PeJP NA NA +PJ045108 SSSEEMR C30H52N10O15S 824.3335 NA PeJP NA NA +PJ045109 AQEEYW C38H48N8O13 824.3341 NA PeJP NA NA +PJ045110 QEMMMR C31H56N10O10S3 824.3343 NA PeJP NA NA +PJ045111 GGGGGKMMM C31H56N10O10S3 824.3344 NA PeJP NA NA +PJ045112 GSCEHHR C31H48N14O11S 824.3348 NA PeJP NA NA +PJ045113 ATMMWW C39H52N8O8S2 824.335 NA PeJP NA NA +MJ095543 Aclacinomycin A; 2c-Amino, 2c,3c-didehydro C42H52N2O15 824.336769 NA MeJP NA NA +MJ095544 Rudolfomycin; 1-Deoxy C42H52N2O15 824.336769 NA MeJP NA NA +PJ045114 GTTTEMW C35H52N8O13S 824.3375 NA PeJP NA NA +PJ045115 GPYYYY C43H48N6O11 824.3381 NA PeJP NA NA +PJ045116 SSCCNRR C28H52N14O11S2 824.3382 NA PeJP NA NA +PJ045117 VQMMMW C36H56N8O8S3 824.3384 NA PeJP NA NA +PJ045118 SQMHHW C36H48N12O9S 824.3388 NA PeJP NA NA +PJ045119 SSSSSLEE C31H52N8O18 824.34 NA PeJP NA NA +PJ045120 ASSPTTMM C32H56N8O13S2 824.3408 NA PeJP NA NA +PJ045121 GTKEEMM C32H56N8O13S2 824.3409 NA PeJP NA NA +PJ045122 GSNNDRY C32H48N12O14 824.3413 NA PeJP NA NA +PJ045123 GGGGGGPTEH C32H48N12O14 824.3414 NA PeJP NA NA +PJ045124 SVMYYY C40H52N6O11S 824.3415 NA PeJP NA NA +PJ045125 GPKMMMM C33H60N8O8S4 824.3417 NA PeJP NA NA +PJ045126 AAQMMHH C33H52N12O9S2 824.3422 NA PeJP NA NA +PJ045127 GSNHHHH C33H44N16O10 824.3427 NA PeJP NA NA +PJ045128 PPCHWW C41H48N10O7S 824.3429 NA PeJP NA NA +MJ095545 3,3'-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-dizepine-1,3(2H)-diyl]bis(methylene)]bis[N-1H-benzimidazol-2-ylbenzamide] C49H44N8O5 824.343466 NA MeJP NA NA +PJ045129 GSSSSNMR C29H52N12O14S 824.3447 NA PeJP NA NA +PJ045130 ADDRYW C37H48N10O12 824.3453 NA PeJP NA NA +PJ045131 GDERYW C37H48N10O12 824.3454 NA PeJP NA NA +PJ045132 CEMMRR C30H56N12O9S3 824.3456 NA PeJP NA NA +PJ045133 SSSCQKW C34H52N10O12S 824.3487 NA PeJP NA NA +PJ045134 AAEYWW C42H48N8O10 824.3494 NA PeJP NA NA +PJ045135 AMMMRW C35H56N10O7S3 824.3496 NA PeJP NA NA +PJ045136 SCHHRW C35H48N14O8S 824.3501 NA PeJP NA NA +PJ045137 SSSSSNKE C30H52N10O17 824.3512 NA PeJP NA NA +PJ045138 GTTEMMR C31H56N10O12S2 824.3521 NA PeJP NA NA +PJ045139 GNNQQQH C31H48N14O13 824.3525 NA PeJP NA NA +PJ045140 SSSDHHR C31H48N14O13 824.3526 NA PeJP NA NA +PJ045141 TTTMWW C39H52N8O10S 824.3527 NA PeJP NA NA +PJ045142 GGVEMFW C39H52N8O10S 824.3528 NA PeJP NA NA +PJ045143 FFYYW C47H48N6O8 824.3534 NA PeJP NA NA +PJ045144 STTTTEW C35H52N8O15 824.3552 NA PeJP NA NA +PJ045145 GAKEEEY C35H52N8O15 824.3553 NA PeJP NA NA +PJ045146 TKEMMW C36H56N8O10S2 824.3561 NA PeJP NA NA +PJ045147 PDDHRW C36H48N12O11 824.3566 NA PeJP NA NA +PJ045148 AMFFFY C44H52N6O8S 824.3568 NA PeJP NA NA +PJ045149 STTKEEM C32H56N8O15S 824.3586 NA PeJP NA NA +PJ045150 GVKEMMM C33H60N8O10S3 824.3595 NA PeJP NA NA +PJ045151 NNQMRY C33H52N12O11S 824.3599 NA PeJP NA NA +PJ045152 GGNQMRY C33H52N12O11S 824.36 NA PeJP NA NA +PJ045153 DRYWW C41H48N10O9 824.3606 NA PeJP NA NA +MJ095546 Pulcherriminic acid; Fe complex C36H60FeN6O12 824.361863 NA MeJP NA NA +PJ045154 SSSSSSQR C29H52N12O16 824.3624 NA PeJP NA NA +PJ045155 GASSSSSSR C29H52N12O16 824.3625 NA PeJP NA NA +PJ045156 SSCNKMR C30H56N12O11S2 824.3633 NA PeJP NA NA +PJ045157 GNNNNHR C30H48N16O12 824.3638 NA PeJP NA NA +PJ045158 PTCRYW C38H52N10O9S 824.364 NA PeJP NA NA +PJ045159 TFWWW C46H48N8O7 824.3646 NA PeJP NA NA +PJ045160 GSSSSSKW C34H52N10O14 824.3665 NA PeJP NA NA +PJ045161 TTMMRW C35H56N10O9S2 824.3673 NA PeJP NA NA +PJ045162 GTCCKKW C35H56N10O9S2 824.3674 NA PeJP NA NA +PJ045163 NDHHFR C35H48N14O10 824.3678 NA PeJP NA NA +PJ045164 GVMFWW C43H52N8O7S 824.368 NA PeJP NA NA +PJ045165 STTTEMR C31H56N10O14S 824.3698 NA PeJP NA NA +PJ045166 GSSSCKKE C31H56N10O14S 824.3699 NA PeJP NA NA +PJ045167 AKEEYW C39H52N8O12 824.3705 NA PeJP NA NA +PJ045168 KEMMMR C32H60N10O9S3 824.3707 NA PeJP NA NA +PJ045169 CNNRRY C32H52N14O10S 824.3712 NA PeJP NA NA +PJ045170 LMMHFF C40H56N8O7S2 824.3714 NA PeJP NA NA +PJ045171 AQHHFW C40H48N12O8 824.3718 NA PeJP NA NA +PJ045172 GAAHHFW C40H48N12O8 824.3719 NA PeJP NA NA +MJ095547 Tolypomycin R C43H56N2O14 824.373154 NA MeJP NA NA +PJ045173 SSTTLMW C36H56N8O12S 824.3739 NA PeJP NA NA +PJ045174 GLFYYY C44H52N6O10 824.3745 NA PeJP NA NA +PJ045175 VKMMMW C37H60N8O7S3 824.3747 NA PeJP NA NA +PJ045176 SKMHHW C37H52N12O8S 824.3752 NA PeJP NA NA +PJ045177 SSSTTTLE C32H56N8O17 824.3764 NA PeJP NA NA +PJ045178 SSLKEMM C33H60N8O12S2 824.3772 NA PeJP NA NA +PJ045179 SDERRY C33H52N12O13 824.3777 NA PeJP NA NA +PJ045180 GGGGGGGGGPPV C33H52N12O13 824.3778 NA PeJP NA NA +PJ045181 PCMRRY C34H56N12O8S2 824.3786 NA PeJP NA NA +PJ045182 MFRWW C42H52N10O6S 824.3792 NA PeJP NA NA +PJ045183 GSSSTCKR C30H56N12O13S 824.3811 NA PeJP NA NA +6993 potential coeliac toxic peptide (extended motif) LQPQNPSQQQPQEQ 824.38145 MH2+ Inhouse_peptide NA peptide +PJ045184 ATERYW C38H52N10O11 824.3817 NA PeJP NA NA +PJ045185 GGGGGVQFF C38H52N10O11 824.3818 NA PeJP NA NA +PJ045186 TMMMRR C31H60N12O8S3 824.382 NA PeJP NA NA +MJ095548 2,3-Dihydroxy-30-nor-23-oxo-12,20(29)-oleanadien-28-oic acid, 23-Carboxylic acid, 3-O-?-D-glucuronopyranoside, 28-O-?-D-glucopyranosyl ester C41H60O17 824.38305 NA MeJP NA NA +MJ095549 Bryostatin 7 C41H60O17 824.38305 NA MeJP NA NA +MJ095550 Fevicordin F; 22-Ketone, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C41H60O17 824.38305 NA MeJP NA NA +MJ095551 Fevicordin F; 6,7-Didehydro, 2-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C41H60O17 824.38305 NA MeJP NA NA +MJ095552 Fevicordin F; 6,7-Didehydro, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C41H60O17 824.38305 NA MeJP NA NA +PJ045187 SSSCKKW C35H56N10O11S 824.3851 NA PeJP NA NA +PJ045188 ASLYWW C43H52N8O9 824.3857 NA PeJP NA NA +PJ045189 GTLYWW C43H52N8O9 824.3858 NA PeJP NA NA +PJ045190 SSSSSDKK C31H56N10O16 824.3876 NA PeJP NA NA +PJ045191 SSTLMMR C32H60N10O11S2 824.3885 NA PeJP NA NA +PJ045192 SSTTHHR C32H52N14O12 824.3889 NA PeJP NA NA +PJ045193 GGAAQEHR C32H52N14O12 824.389 NA PeJP NA NA +PJ045194 PTKMYW C40H56N8O9S 824.3891 NA PeJP NA NA +PJ045195 AFFFFF C48H52N6O7 824.3898 NA PeJP NA NA +PJ045196 KKEEEY C36H56N8O14 824.3916 NA PeJP NA NA +PJ045197 GPVKMMY C37H60N8O9S2 824.3925 NA PeJP NA NA +PJ045198 PTEHRW C37H52N12O10 824.393 NA PeJP NA NA +PJ045199 SSSSTLLM C33H60N8O14S 824.395 NA PeJP NA NA +PJ045200 ATLKMMM C34H64N8O9S3 824.3959 NA PeJP NA NA +PJ045201 AEMRRY C34H56N12O10S 824.3963 NA PeJP NA NA +PJ045202 GGGGKMRY C34H56N12O10S 824.3964 NA PeJP NA NA +PJ045203 SPLHWW C42H52N10O8 824.397 NA PeJP NA NA +PJ045204 SSSSSSKR C30H56N12O15 824.3988 NA PeJP NA NA +C07204 Vincristine C46H56N4O10 824.3996 NA KEGG NA NA +MJ095553 Carosine C46H56N4O10 824.399644 NA MeJP NA NA +MJ095554 Leurosine; 21'-Hydroxy C46H56N4O10 824.399644 NA MeJP NA NA +MJ095555 Leurosine; N4'-Oxide C46H56N4O10 824.399644 NA MeJP NA NA +MJ095556 Vinamidine C46H56N4O10 824.399644 NA MeJP NA NA +MJ095557 Vincristine C46H56N4O10 824.399644 NA MeJP NA NA +PJ045205 STCCKKR C31H60N12O10S2 824.3997 NA PeJP NA NA +PJ045206 NNEHRR C31H52N16O11 824.4002 NA PeJP NA NA +PJ045207 GLMRYW C39H56N10O8S 824.4004 NA PeJP NA NA +PJ045208 SPTTTRY C35H56N10O13 824.4028 NA PeJP NA NA +PJ045209 TKEERY C35H56N10O13 824.4029 NA PeJP NA NA +PJ045210 PKMMRY C36H60N10O8S2 824.4037 NA PeJP NA NA +PJ045211 AQQHRW C36H52N14O9 824.4042 NA PeJP NA NA +PJ045212 GSSSTKKM C32H60N10O13S 824.4062 NA PeJP NA NA +PJ045213 SLKEYW C40H56N8O11 824.4069 NA PeJP NA NA +PJ045214 GCKKKMM C33H64N10O8S3 824.4071 NA PeJP NA NA +PJ045215 PEMHRR C33H56N14O9S 824.4076 NA PeJP NA NA +PJ045216 AKHHFW C41H52N12O7 824.4082 NA PeJP NA NA +PJ045217 SSPLKMY C37H60N8O11S 824.4102 NA PeJP NA NA +PJ045218 AALKEMY C37H60N8O11S 824.4103 NA PeJP NA NA +PJ045219 PVMHRW C38H56N12O7S 824.4116 NA PeJP NA NA +PJ045220 STTTTTTL C33H60N8O16 824.4127 NA PeJP NA NA +PJ045221 TTTLKMM C34H64N8O11S2 824.4136 NA PeJP NA NA +PJ045222 TTERRY C34H56N12O12 824.4141 NA PeJP NA NA +PJ045223 CLMFRR C35H60N12O7S2 824.415 NA PeJP NA NA +PJ045224 GNHRRW C35H52N16O8 824.4154 NA PeJP NA NA +PJ045225 GGGHRRW C35H52N16O8 824.4155 NA PeJP NA NA +PJ045226 STLRYW C39H56N10O10 824.4181 NA PeJP NA NA +MJ095558 1,3,20-Trihydroxywitha-5,24-dienolide, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside], 1-Ac C42H64O16 824.419436 NA MeJP NA NA +MJ095559 2,3-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester C42H64O16 824.419436 NA MeJP NA NA +MJ095560 3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H64O16 824.419436 NA MeJP NA NA +MJ095561 3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside], 30-Me ester C42H64O16 824.419436 NA MeJP NA NA +MJ095562 3,24-Dihydroxy-12-oleanen-30-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H64O16 824.419436 NA MeJP NA NA +MJ095563 3,25-Dihydroxy-12-oleanen-30-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H64O16 824.419436 NA MeJP NA NA +MJ095564 3,25-Dihydroxy-18-oleanen-30-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H64O16 824.419436 NA MeJP NA NA +MJ095565 3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucuronopyranoside, 28-?-D-glucopyranosyl ester C42H64O16 824.419436 NA MeJP NA NA +MJ095566 Bryostatin 14 C42H64O16 824.419436 NA MeJP NA NA +MJ095567 Glaucogenin C; 7?-Hydroxy, 3-O-[?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-thevetopyranoside] C42H64O16 824.419436 NA MeJP NA NA +MJ095568 Tubocapsigenin A; 1-Ac, 3-O-[?-D-glucopyranosyl(1?6)-?-D-glucopyranoside] C42H64O16 824.419436 NA MeJP NA NA +PJ045227 VKEMRY C36H60N10O10S 824.4215 NA PeJP NA NA +PJ045228 PTKFFW C44H56N8O8 824.4221 NA PeJP NA NA +PJ045229 GGVLFFW C44H56N8O8 824.4222 NA PeJP NA NA +PJ045230 SSSSTTKK C32H60N10O15 824.424 NA PeJP NA NA +PJ045231 STCKKKM C33H64N10O10S2 824.4249 NA PeJP NA NA +PJ045232 VEEHRR C33H56N14O11 824.4253 NA PeJP NA NA +PJ045233 GGGPPERR C33H56N14O11 824.4254 NA PeJP NA NA +PJ045234 VVKMYW C41H60N8O8S 824.4255 NA PeJP NA NA +8097 NAP NAPVSIPQ 824.4259 inhibitor Inhouse_peptide NA peptide +PJ045235 ATTLKEY C37H60N8O13 824.428 NA PeJP NA NA +PJ045236 GVLKMMF C38H64N8O8S2 824.4289 NA PeJP NA NA +PJ045237 VVEHRW C38H56N12O9 824.4294 NA PeJP NA NA +PJ045238 SLMRRY C35H60N12O9S 824.4327 NA PeJP NA NA +PJ045239 ALLHWW C43H56N10O7 824.4334 NA PeJP NA NA +PJ045240 NDKHRR C32H56N16O10 824.4366 NA PeJP NA NA +PJ045241 PKMFFR C40H60N10O7S 824.4368 NA PeJP NA NA +PJ045242 SSSLLRY C36H60N10O12 824.4392 NA PeJP NA NA +PJ045243 GSDKKKY C36H60N10O12 824.4393 NA PeJP NA NA +PJ045244 LKMMFR C37H64N10O7S2 824.4401 NA PeJP NA NA +PJ045245 PPNRRW C37H56N14O8 824.4406 NA PeJP NA NA +C15713 Nodularin C41H60N8O10 824.4432 NA KEGG NA NA +MJ095569 Nodularin C41H60N8O10 824.44324 NA MeJP NA NA +PJ045246 APPLLEW C41H60N8O10 824.4433 NA PeJP NA NA +PJ045247 GPCKKHR C34H60N14O8S 824.444 NA PeJP NA NA +PJ045248 GTLLKMY C38H64N8O10S 824.4466 NA PeJP NA NA +PJ045249 GPPPTLLM C38H64N8O10S 824.4467 NA PeJP NA NA +PJ045250 SNHRRR C31H56N18O9 824.4478 NA PeJP NA NA +PJ045251 GSSKKRY C35H60N12O11 824.4505 NA PeJP NA NA +MJ095570 Cyclotheonamide E; Cyclotheonamide E3 C40H60N10O9 824.454473 NA MeJP NA NA +MJ095571 Podacycline A C40H60N10O9 824.454473 NA MeJP NA NA +PJ045252 LLKEHW C40H60N10O9 824.4545 NA PeJP NA NA +C08990 Yiamoloside B C43H68O15 824.4558 NA KEGG NA NA +MJ095572 3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-canaropyranosyl-(1?4)-?-D-oleandropyranoside] C43H68O15 824.455821 NA MeJP NA NA +MJ095573 3,24-Dihydroxy-12-oleanen-29-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside], Me ester C43H68O15 824.455821 NA MeJP NA NA +MJ095574 3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester, 30-Me ester C43H68O15 824.455821 NA MeJP NA NA +MJ095575 3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucopyranoside], 30-Me ester C43H68O15 824.455821 NA MeJP NA NA +MJ095576 3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 30-Me ester C43H68O15 824.455821 NA MeJP NA NA +MJ095577 3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside], 30-Me ester C43H68O15 824.455821 NA MeJP NA NA +MJ095578 Cimigenol; 3-O-[?-D-Glucopyranosyl-(1?3)-xylopyranoside], 25-Ac C43H68O15 824.455821 NA MeJP NA NA +MJ095579 Polycavernoside A2; 4B-Me ether C43H68O15 824.455821 NA MeJP NA NA +MJ095580 Shengmanol; 23-Ac, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-xylopyranoside] C43H68O15 824.455821 NA MeJP NA NA +PJ045253 QKKKMY C37H64N10O9S 824.4579 NA PeJP NA NA +PJ045254 VVKFFW C45H60N8O7 824.4585 NA PeJP NA NA +PJ045255 GPPDKRR C34H60N14O10 824.4617 NA PeJP NA NA +PJ045256 STTLLKY C38H64N8O12 824.4644 NA PeJP NA NA +PJ045257 TLLHRW C39H60N12O8 824.4657 NA PeJP NA NA +PJ045258 GGLKKHW C39H60N12O8 824.4658 NA PeJP NA NA +PJ045259 CKKKRY C36H64N12O8S 824.4691 NA PeJP NA NA +7045 aurein 2,5 GLFDIVKKVVGAFGSL 824.46945 MH2+ Inhouse_peptide NA peptide +PJ045260 GSPPRRR C33H60N16O9 824.473 NA PeJP NA NA +PJ045261 GTTKKKY C37H64N10O11 824.4756 NA PeJP NA NA +PJ045262 GAPPLDKK C37H64N10O11 824.4757 NA PeJP NA NA +PJ045263 AKKHRW C38H60N14O7 824.477 NA PeJP NA NA +PJ045264 SPPLLLW C42H64N8O9 824.4797 NA PeJP NA NA +PJ045265 LLMHRR C35H64N14O7S 824.4803 NA PeJP NA NA +MJ095581 Chevalierin A; S3-Oxide C39H68N8O9S 824.482996 NA MeJP NA NA +PJ045266 AAPPLLLM C39H68N8O9S 824.483 NA PeJP NA NA +PJ045267 SSLLLHR C36H64N12O10 824.4869 NA PeJP NA NA +PJ045268 GPPLKKW C41H64N10O8 824.4909 NA PeJP NA NA +MJ095582 Didemnaketal A C44H72O14 824.492207 NA MeJP NA NA +PJ045269 KKKKMY C38H68N10O8S 824.4943 NA PeJP NA NA +PJ045270 APPTKRR C35H64N14O9 824.4981 NA PeJP NA NA +PJ045271 PLLLLQE C39H68N8O11 824.5008 NA PeJP NA NA +PJ045272 VKKKHW C40H64N12O7 824.5021 NA PeJP NA NA +PJ045273 PLQRRR C34H64N16O8 824.5093 NA PeJP NA NA +PJ045274 GAPLRRR C34H64N16O8 824.5094 NA PeJP NA NA +PJ045275 PVVLLER C38H68N10O10 824.512 NA PeJP NA NA +PJ045276 APLLLLW C43H68N8O8 824.516 NA PeJP NA NA +PJ045277 SPPLKKR C37H68N12O9 824.5233 NA PeJP NA NA +PJ045278 KKKKFF C42H68N10O7 824.5273 NA PeJP NA NA +MJ095583 Pregnane-3,12,14,17,20-pentol, 12,20-Bis(3-methylbutanoyl), 3-O-[2,6-dideoxy-3-O-methyl-?-L-arabino-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-L-arabino-hexopyranoside] C45H76O13 824.528592 NA MeJP NA NA +MJ095584 Minopafant C46H73N4O9(+) 824.529929 NA MeJP NA NA +PJ045279 GPVLKRR C36H68N14O8 824.5345 NA PeJP NA NA +PJ045280 PLLLLKE C40H72N8O10 824.5372 NA PeJP NA NA +PJ045281 PLKRRR C35H68N16O7 824.5457 NA PeJP NA NA +PJ045282 PTLLLLR C39H72N10O9 824.5484 NA PeJP NA NA +HMDB10612 PG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) C46H81O10P 824.556763 NA HMDB2010 NA NA +HMDB10613 PG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C46H81O10P 824.556763 NA HMDB2010 NA NA +HMDB10626 PG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)) C46H81O10P 824.556763 NA HMDB2010 NA NA +HMDB10641 PG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C46H81O10P 824.556763 NA HMDB2010 NA NA +PJ045283 APLLKKR C38H72N12O8 824.5596 NA PeJP NA NA +MJ095585 Maclafungin C46H80O12 824.564978 NA MeJP NA NA +PJ045284 LLLLLLQ C41H76N8O9 824.5736 NA PeJP NA NA +PJ045285 VVLLLLR C40H76N10O8 824.5848 NA PeJP NA NA +PJ045286 LLLLLLK C42H80N8O8 824.61 NA PeJP NA NA +HMDB10471 TG(18:2(9Z,12Z)/14:0/18:3(9Z,12Z,15Z))[iso6] C53H92O6 824.689392 NA HMDB2010 NA NA +MJ095586 Gymnopilene C50H96O8 824.71052 NA MeJP NA NA +MJ095587 Cericerol II; 2Z,6Z-Isomer, 24-(30-hydroxytriacontanoyl) C55H100O4 824.762161 NA MeJP NA NA +PJ045287 CCCCCEY C29H43N7O11S5 825.1624 NA PeJP NA NA +PJ045288 CCCDDMH C28H43N9O12S4 825.1914 NA PeJP NA NA +PJ045289 CDDDDDE C28H39N7O20S 825.1971 NA PeJP NA NA +PJ045290 TCCCCMY C30H47N7O10S5 825.1988 NA PeJP NA NA +PJ045291 GSCCCCNH C27H43N11O11S4 825.2027 NA PeJP NA NA +PJ045292 GPCCCNDD C28H43N9O14S3 825.2092 NA PeJP NA NA +PJ045293 GCCCDYY C33H43N7O12S3 825.2132 NA PeJP NA NA +PJ045294 CCNDDQE C28H43N9O16S2 825.2269 NA PeJP NA NA +PJ045295 CNNDDDM C28H43N9O16S2 825.227 NA PeJP NA NA +PJ045296 SCCDMMH C29H47N9O11S4 825.2278 NA PeJP NA NA +PJ045297 GCCCMFY C34H47N7O9S4 825.2318 NA PeJP NA NA +PJ045298 SDDDDEM C29H43N7O19S 825.2335 NA PeJP NA NA +PJ045299 PCCDEEM C30H47N7O14S3 825.2343 NA PeJP NA NA +PJ045300 PCDDDMM C30H47N7O14S3 825.2344 NA PeJP NA NA +PJ045301 GSCCNNND C27H43N11O15S2 825.2382 NA PeJP NA NA +PJ045302 GCCNDEW C32H43N9O13S2 825.2422 NA PeJP NA NA +PJ045303 GSSCNDDE C28H43N9O18S 825.2447 NA PeJP NA NA +PJ045304 GSPCCNDM C29H47N9O13S3 825.2456 NA PeJP NA NA +PJ045305 ACCMMMH C30H51N9O8S5 825.2464 NA PeJP NA NA +PJ045306 VCCCMMH C30H51N9O8S5 825.2465 NA PeJP NA NA +PJ045307 SCCCHHH C30H43N13O9S3 825.2469 NA PeJP NA NA +PJ045308 PCDDDDF C33H43N7O16S 825.2487 NA PeJP NA NA +PJ045309 GSCCMYY C34H47N7O11S3 825.2496 NA PeJP NA NA +PJ045310 GDDEEMM C30H47N7O16S2 825.2521 NA PeJP NA NA +PJ045311 PCCDDHH C31H43N11O12S2 825.2534 NA PeJP NA NA +PJ045312 CCNNNQM C28H47N11O12S3 825.2568 NA PeJP NA NA +PJ045313 CCNDWW C36H43N9O10S2 825.2575 NA PeJP NA NA +PJ045314 SSCNDDW C32H43N9O15S 825.26 NA PeJP NA NA +PJ045315 SPCCCQW C33H47N9O10S3 825.2608 NA PeJP NA NA +PJ045316 SSSSNDDD C28H43N9O20 825.2625 NA PeJP NA NA +PJ045317 SNNDDMM C29H47N9O15S2 825.2633 NA PeJP NA NA +PJ045318 GGGGSDDMM C29H47N9O15S2 825.2634 NA PeJP NA NA +PJ045319 SSCMMMH C30H51N9O10S4 825.2642 NA PeJP NA NA +PJ045320 GCCCFFF C38H47N7O8S3 825.2649 NA PeJP NA NA +PJ045321 SPDDDDY C33H43N7O18 825.2665 NA PeJP NA NA +PJ045322 SSTCCYY C34H47N7O13S2 825.2673 NA PeJP NA NA +PJ045323 DDEMMW C34H47N7O13S2 825.2674 NA PeJP NA NA +PJ045324 CCCNNNR C27H47N13O11S3 825.268 NA PeJP NA NA +PJ045325 GGCCCNNR C27H47N13O11S3 825.2681 NA PeJP NA NA +PJ045326 SSDEEEM C30H47N7O18S 825.2699 NA PeJP NA NA +PJ045327 SPDDMMM C31H51N7O13S3 825.2707 NA PeJP NA NA +PJ045328 GDDDMHH C31H43N11O14S 825.2712 NA PeJP NA NA +PJ045329 SCCNDER C28H47N11O14S2 825.2746 NA PeJP NA NA +PJ045330 PCCCNMR C29H51N11O9S4 825.2754 NA PeJP NA NA +PJ045331 GGPCCCMR C29H51N11O9S4 825.2755 NA PeJP NA NA +PJ045332 CCMHFW C37H47N9O7S3 825.2761 NA PeJP NA NA +PJ045333 GNNDDEY C32H43N9O17 825.2777 NA PeJP NA NA +PJ045334 GSCNEMW C33H47N9O12S2 825.2786 NA PeJP NA NA +PJ045335 GSSSNDEM C29H47N9O17S 825.2811 NA PeJP NA NA +PJ045336 DDDEFW C37H43N7O15 825.2817 NA PeJP NA NA +PJ045337 GNNEMMM C30H51N9O12S3 825.282 NA PeJP NA NA +PJ045338 SCNNDHH C30H43N13O13S 825.2824 NA PeJP NA NA +PJ045339 GGGGSCDHH C30H43N13O13S 825.2825 NA PeJP NA NA +PJ045340 CCQFYY C38H47N7O10S2 825.2826 NA PeJP NA NA +MJ095588 Perdeacyleuojaponin; 1-Benzoyl, 2,8,9,14-tetra-Ac C41H47NO17 825.284399 NA MeJP NA NA +MJ095589 Perdeacyleuojaponin; 1-Benzoyl, 6,8,9,14-tetra-Ac C41H47NO17 825.284399 NA MeJP NA NA +MJ095590 Perdeacyleuojaponin; 6-Benzoyl, 1,8,9,14-tetra-Ac C41H47NO17 825.284399 NA MeJP NA NA +MJ095591 Perdeacylwilforine; 1-Benzoyl, 2,8,9,14-tetra-Ac C41H47NO17 825.284399 NA MeJP NA NA +MJ095592 Perdeacylwilforine; 1-Benzoyl, 6,8,9,14-tetra-Ac C41H47NO17 825.284399 NA MeJP NA NA +MJ095593 Perdeacylwilforine; 2-Benzoyl, 1,8,9,14-tetra-Ac C41H47NO17 825.284399 NA MeJP NA NA +PJ045341 GPDDEMY C34H47N7O15S 825.2851 NA PeJP NA NA +PJ045342 PPCCEMF C35H51N7O10S3 825.286 NA PeJP NA NA +PJ045343 CDEHHW C35H43N11O11S 825.2865 NA PeJP NA NA +PJ045344 GTEEEMM C31H51N7O15S2 825.2885 NA PeJP NA NA +PJ045345 SSDDEHH C31H43N11O16 825.289 NA PeJP NA NA +PJ045346 GPEMMMM C32H55N7O10S4 825.2894 NA PeJP NA NA +PJ045347 GSCCDRW C32H47N11O11S2 825.2898 NA PeJP NA NA +PJ045348 GSSSCDDR C28H47N11O16S 825.2923 NA PeJP NA NA +PJ045349 NNDDYW C36H43N9O14 825.293 NA PeJP NA NA +PJ045350 GCNDMMR C29H51N11O11S3 825.2932 NA PeJP NA NA +PJ045351 SCNMWW C37H47N9O9S2 825.2938 NA PeJP NA NA +PJ045352 GGSCMWW C37H47N9O9S2 825.2939 NA PeJP NA NA +PJ045353 SSSNDMW C33H47N9O14S 825.2963 NA PeJP NA NA +PJ045354 GGSSSDMW C33H47N9O14S 825.2964 NA PeJP NA NA +PJ045355 NNMMMW C34H51N9O9S3 825.2972 NA PeJP NA NA +PJ045356 SSSSSNEE C29H47N9O19 825.2988 NA PeJP NA NA +PJ045357 GGSSSSTDE C29H47N9O19 825.2989 NA PeJP NA NA +PJ045358 SSNQEMM C30H51N9O14S2 825.2997 NA PeJP NA NA +PJ045359 PDDMYW C38H47N7O12S 825.3004 NA PeJP NA NA +PJ045360 PCCNKMM C31H55N9O9S4 825.3006 NA PeJP NA NA +PJ045361 GCNQMHH C31H47N13O10S2 825.3011 NA PeJP NA NA +PJ045362 QEEEEY C34H47N7O17 825.3029 NA PeJP NA NA +PJ045363 TEEMMW C35H51N7O12S2 825.3037 NA PeJP NA NA +PJ045364 GPDEMMF C35H51N7O12S2 825.3038 NA PeJP NA NA +PJ045365 GCCCERR C28H51N13O10S3 825.3044 NA PeJP NA NA +PJ045366 PMMMMW C36H55N7O7S4 825.3046 NA PeJP NA NA +PJ045367 STTEEEM C31H51N7O17S 825.3062 NA PeJP NA NA +PJ045368 GVEEMMM C32H55N7O12S3 825.3071 NA PeJP NA NA +PJ045369 GNNNNMY C32H47N11O13S 825.3076 NA PeJP NA NA +PJ045370 CCQMRW C33H51N11O8S3 825.3085 NA PeJP NA NA +PJ045371 GSSSSSSNN C28H47N11O18 825.3101 NA PeJP NA NA +PJ045372 SSCNEMR C29H51N11O13S2 825.3109 NA PeJP NA NA +PJ045373 GGSSCEMR C29H51N11O13S2 825.311 NA PeJP NA NA +MJ095594 Oligostatin C C31H55NO24 825.311401 NA MeJP NA NA +PJ045374 GSSTCWW C37H47N9O11S 825.3116 NA PeJP NA NA +PJ045375 GCCNHHR C30H47N15O9S2 825.3123 NA PeJP NA NA +PJ045376 GSSSSSEW C33H47N9O16 825.3141 NA PeJP NA NA +PJ045377 GSSQMMW C34H51N9O11S2 825.315 NA PeJP NA NA +PJ045378 GSSSTQEM C30H51N9O16S 825.3175 NA PeJP NA NA +PJ045379 AEEEYW C38H47N7O14 825.3181 NA PeJP NA NA +PJ045380 GTQQMMM C31H55N9O11S3 825.3183 NA PeJP NA NA +PJ045381 EEMMMR C31H55N9O11S3 825.3184 NA PeJP NA NA +PJ045382 SSNNMHH C31H47N13O12S 825.3188 NA PeJP NA NA +PJ045383 GGGGGGGAPCH C31H47N13O12S 825.3189 NA PeJP NA NA +PJ045384 PDMMFW C39H51N7O9S2 825.319 NA PeJP NA NA +PJ045385 CCCRRW C32H51N13O7S3 825.3197 NA PeJP NA NA +MJ095595 Aclacinomycin B; 9-Hydroxy C42H51NO16 825.320784 NA MeJP NA NA +MJ095596 Aclacinomycin Y; 10-Hydroxy C42H51NO16 825.320784 NA MeJP NA NA +MJ095597 Cinerubin B C42H51NO16 825.320784 NA MeJP NA NA +MJ095598 Epelmycin B C42H51NO16 825.320784 NA MeJP NA NA +PJ045386 GPTEEMY C35H51N7O14S 825.3215 NA PeJP NA NA +PJ045387 SSCCDRR C28H51N13O12S2 825.3222 NA PeJP NA NA +PJ045388 VEMMMW C36H55N7O9S3 825.3224 NA PeJP NA NA +PJ045389 SEMHHW C36H47N11O10S 825.3228 NA PeJP NA NA +PJ045390 GPCEHHF C36H47N11O10S 825.3229 NA PeJP NA NA +PJ045391 SSLEEMM C32H55N7O14S2 825.3249 NA PeJP NA NA +PJ045392 GSNDDRY C32H47N11O15 825.3253 NA PeJP NA NA +PJ045393 GGGSDDRY C32H47N11O15 825.3254 NA PeJP NA NA +PJ045394 SPVMMMM C33H59N7O9S4 825.3257 NA PeJP NA NA +PJ045395 GSSCMRW C33H51N11O10S2 825.3262 NA PeJP NA NA +PJ045396 GSDHHHH C33H43N15O11 825.3267 NA PeJP NA NA +PJ045397 GCQFWW C41H47N9O8S 825.3269 NA PeJP NA NA +PJ045398 GSSSSDMR C29H51N11O15S 825.3287 NA PeJP NA NA +PJ045399 SSSSSWW C37H47N9O13 825.3294 NA PeJP NA NA +PJ045400 GSNMMMR C30H55N11O10S3 825.3296 NA PeJP NA NA +PJ045401 TCCKWW C38H51N9O8S2 825.3302 NA PeJP NA NA +PJ045402 SSSTQMW C34H51N9O13S 825.3327 NA PeJP NA NA +PJ045403 GGGGGVEMY C34H51N9O13S 825.3328 NA PeJP NA NA +PJ045404 PDDFFW C42H47N7O11 825.3334 NA PeJP NA NA +PJ045405 CQKMMW C35H55N9O8S3 825.3336 NA PeJP NA NA +PJ045406 SSSSSDKE C30H51N9O18 825.3352 NA PeJP NA NA +PJ045407 SSNKEMM C31H55N9O13S2 825.3361 NA PeJP NA NA +PJ045408 GSSSSQHH C31H47N13O14 825.3366 NA PeJP NA NA +PJ045409 SCKYYY C39H51N7O11S 825.3367 NA PeJP NA NA +PJ045410 PTEMYW C39H51N7O11S 825.3368 NA PeJP NA NA +PJ045411 PPCCNHR C32H51N13O9S2 825.3374 NA PeJP NA NA +PJ045412 DMMHHR C32H51N13O9S2 825.3375 NA PeJP NA NA +PJ045413 PCHHFW C40H47N11O7S 825.3381 NA PeJP NA NA +PJ045414 SPTTEEY C35H51N7O16 825.3392 NA PeJP NA NA +PJ045415 KEEEEY C35H51N7O16 825.3393 NA PeJP NA NA +PJ045416 GPVEMMY C36H55N7O11S2 825.3401 NA PeJP NA NA +PJ045417 GSPNEHW C36H47N11O12 825.3406 NA PeJP NA NA +PJ045418 GTCCMRR C29H55N13O9S3 825.3408 NA PeJP NA NA +PJ045419 CLMHHW C37H51N11O7S2 825.3415 NA PeJP NA NA +PJ045420 ATLEMMM C33H59N7O11S3 825.3435 NA PeJP NA NA +PJ045421 SSSTCRW C33H51N11O12S 825.344 NA PeJP NA NA +PJ045422 GSQYWW C41H47N9O10 825.3446 NA PeJP NA NA +PJ045423 CCKMRW C34H55N11O7S3 825.3448 NA PeJP NA NA +PJ045424 QMHHHH C34H47N15O8S 825.3453 NA PeJP NA NA +PJ045425 SSSSSSER C29H51N11O17 825.3465 NA PeJP NA NA +PJ045426 SSSQMMR C30H55N11O12S2 825.3473 NA PeJP NA NA +PJ045427 GGGSSCCKK C30H55N11O12S2 825.3474 NA PeJP NA NA +PJ045428 GNNNDHR C30H47N15O13 825.3478 NA PeJP NA NA +PJ045429 AQQMYW C38H51N9O10S 825.348 NA PeJP NA NA +PJ045430 GSSSTTTW C34H51N9O15 825.3505 NA PeJP NA NA +PJ045431 GSSKMMW C35H55N9O10S2 825.3514 NA PeJP NA NA +PJ045432 NNQQHW C35H47N13O11 825.3518 NA PeJP NA NA +PJ045433 GGGGGAQHW C35H47N13O11 825.3519 NA PeJP NA NA +PJ045434 GSSSTKEM C31H55N9O15S 825.3539 NA PeJP NA NA +PJ045435 SLEEYW C39H51N7O13 825.3545 NA PeJP NA NA +PJ045436 GTQKMMM C32H59N9O10S3 825.3547 NA PeJP NA NA +PJ045437 CNDRRY C32H51N13O11S 825.3552 NA PeJP NA NA +PJ045438 PVMMYW C40H55N7O8S2 825.3554 NA PeJP NA NA +PJ045439 SPNHWW C40H47N11O9 825.3559 NA PeJP NA NA +PJ045440 CHHHHR C33H47N17O7S 825.3566 NA PeJP NA NA +MJ095599 Aclacinomycin A; 13-Methyl C43H55NO15 825.35717 NA MeJP NA NA +MJ095600 Sulfurmycin F; 3'-Deoxy C43H55NO15 825.35717 NA MeJP NA NA +PJ045441 AALEEMY C36H55N7O13S 825.3579 NA PeJP NA NA +PJ045442 SSSCMRR C29H55N13O11S2 825.3586 NA PeJP NA NA +PJ045443 GPLMMMF C37H59N7O8S3 825.3588 NA PeJP NA NA +PJ045444 GNMRYW C37H51N11O9S 825.3592 NA PeJP NA NA +PJ045445 TTTLEMM C33H59N7O13S2 825.3612 NA PeJP NA NA +PJ045446 GSSQERY C33H51N11O14 825.3617 NA PeJP NA NA +PJ045447 GGGGALEEH C33H51N11O14 825.3618 NA PeJP NA NA +PJ045448 GLLMMMM C34H63N7O8S4 825.3621 NA PeJP NA NA +PJ045449 GPCCKRY C34H55N11O9S2 825.3626 NA PeJP NA NA +PJ045450 GTTHHHH C34H47N15O10 825.3631 NA PeJP NA NA +PJ045451 GCKFWW C42H51N9O7S 825.3633 NA PeJP NA NA +PJ045452 GSSSTTMR C30H55N11O14S 825.3651 NA PeJP NA NA +PJ045453 SNKEYW C38H51N9O12 825.3657 NA PeJP NA NA +PJ045454 GGGSSLYW C38H51N9O12 825.3658 NA PeJP NA NA +PJ045455 GTCKMMR C31H59N11O9S3 825.366 NA PeJP NA NA +PJ045456 SSSTKMW C35H55N9O12S 825.3691 NA PeJP NA NA +PJ045457 PPTYYW C43H51N7O10 825.3698 NA PeJP NA NA +PJ045458 CKKMMW C36H59N9O7S3 825.37 NA PeJP NA NA +PJ045459 PCQHRW C36H51N13O8S 825.3705 NA PeJP NA NA +PJ045460 SSSSTTKE C31H55N9O17 825.3716 NA PeJP NA NA +PJ045461 SSDKKMM C32H59N9O12S2 825.3725 NA PeJP NA NA +PJ045462 GTQQQQH C32H51N13O13 825.3729 NA PeJP NA NA +PJ045463 QQEEHR C32H51N13O13 825.373 NA PeJP NA NA +PJ045464 VVEMYW C40H55N7O10S 825.3731 NA PeJP NA NA +PJ045465 GPVEMFF C40H55N7O10S 825.3732 NA PeJP NA NA +PJ045466 CNMFRR C33H55N13O8S2 825.3738 NA PeJP NA NA +PJ045467 ATTLEEY C36H55N7O15 825.3756 NA PeJP NA NA +PJ045468 APTLMMY C37H59N7O10S2 825.3765 NA PeJP NA NA +PJ045469 SSQRYW C37H51N11O11 825.377 NA PeJP NA NA +PJ045470 STLLMMM C34H63N7O10S3 825.3799 NA PeJP NA NA +PJ045471 NDKMRY C34H55N11O11S 825.3803 NA PeJP NA NA +PJ045472 GGDKMRY C34H55N11O11S 825.3804 NA PeJP NA NA +PJ045473 GSKYWW C42H51N9O9 825.381 NA PeJP NA NA +PJ045474 KMHHHH C35H51N15O7S 825.3817 NA PeJP NA NA +PJ045475 SSSSTTTR C30H55N11O16 825.3828 NA PeJP NA NA +PJ045476 SSSKMMR C31H59N11O11S2 825.3837 NA PeJP NA NA +PJ045477 NDEHRR C31H51N15O12 825.3842 NA PeJP NA NA +PJ045478 AQKMYW C39H55N9O9S 825.3844 NA PeJP NA NA +PJ045479 GSDKKEY C35H55N9O14 825.3869 NA PeJP NA NA +PJ045480 VVCCQKF C36H59N9O9S2 825.3877 NA PeJP NA NA +PJ045481 GPCKKMY C36H59N9O9S2 825.3878 NA PeJP NA NA +PJ045482 AQEHRW C36H51N13O10 825.3882 NA PeJP NA NA +PJ045483 PVMFFW C44H55N7O7S 825.3884 NA PeJP NA NA +PJ045484 SSSSSLKM C32H59N9O14S 825.3902 NA PeJP NA NA +PJ045485 AAPLEYY C40H55N7O12 825.3909 NA PeJP NA NA +PJ045486 GTKKMMM C33H63N9O9S3 825.3911 NA PeJP NA NA +PJ045487 SNMRRY C33H55N13O10S 825.3916 NA PeJP NA NA +PJ045488 VLMMFW C41H59N7O7S2 825.3918 NA PeJP NA NA +PJ045489 GLQHWW C41H51N11O8 825.3922 NA PeJP NA NA +PJ045490 GGALHWW C41H51N11O8 825.3923 NA PeJP NA NA +PJ045491 GTLLEMY C37H59N7O12S 825.3943 NA PeJP NA NA +PJ045492 ACKRYW C38H55N11O8S 825.3956 NA PeJP NA NA +PJ045493 GSSKERY C34H55N11O13 825.3981 NA PeJP NA NA +PJ045494 NKMMFR C35H59N11O8S2 825.399 NA PeJP NA NA +PJ045495 GDHRRW C35H51N15O9 825.3995 NA PeJP NA NA +MJ095601 Liposidomycin; Liposidomycin A-I, 3-O-Deacyl, desulfo C38H59N5O15 825.400766 NA MeJP NA NA +PJ045496 SDKKYW C39H55N9O11 825.4021 NA PeJP NA NA +PJ045497 GAAPPLDW C39H55N9O11 825.4022 NA PeJP NA NA +PJ045498 GPTCHRR C32H55N15O9S 825.4028 NA PeJP NA NA +PJ045499 AAHRWW C40H51N13O7 825.4035 NA PeJP NA NA +PJ045500 QKKEMY C36H59N9O11S 825.4055 NA PeJP NA NA +PJ045501 PVVYYW C44H55N7O9 825.4062 NA PeJP NA NA +PJ045502 PCKHRW C37H55N13O7S 825.4069 NA PeJP NA NA +PJ045503 SSTTTTTK C32H59N9O16 825.408 NA PeJP NA NA +PJ045504 STTKKMM C33H63N9O11S2 825.4089 NA PeJP NA NA +PJ045505 GSSTRRY C33H55N13O12 825.4093 NA PeJP NA NA +PJ045506 GPPDERR C33H55N13O12 825.4094 NA PeJP NA NA +PJ045507 TLLMYW C41H59N7O9S 825.4095 NA PeJP NA NA +PJ045508 STTLLEY C37H59N7O14 825.412 NA PeJP NA NA +PJ045509 GVLLMMY C38H63N7O9S2 825.4129 NA PeJP NA NA +PJ045510 SSKRYW C38H55N11O10 825.4134 NA PeJP NA NA +PJ045511 TQKMRY C35H59N11O10S 825.4167 NA PeJP NA NA +PJ045512 GAPPPTMR C35H59N11O10S 825.4168 NA PeJP NA NA +PJ045513 PPLQWW C43H55N9O8 825.4174 NA PeJP NA NA +PJ045514 TQEHRR C32H55N15O11 825.4206 NA PeJP NA NA +PJ045515 AKKMYW C40H59N9O8S 825.4208 NA PeJP NA NA +PJ045516 SSTLQKY C36H59N9O13 825.4232 NA PeJP NA NA +PJ045517 GTTKKEY C36H59N9O13 825.4233 NA PeJP NA NA +PJ045518 LLMMRY C37H63N9O8S2 825.4241 NA PeJP NA NA +PJ045519 PPDRRW C37H55N13O9 825.4246 NA PeJP NA NA +PJ045520 GPTLLYY C41H59N7O11 825.4273 NA PeJP NA NA +PJ045521 TCKRRY C34H59N13O9S 825.428 NA PeJP NA NA +PJ045522 GLKHWW C42H55N11O7 825.4286 NA PeJP NA NA +PJ045523 SSLLLMY C38H63N7O11S 825.4306 NA PeJP NA NA +PJ045524 VVTTLMY C38H63N7O11S 825.4307 NA PeJP NA NA +PJ045525 SDHRRR C31H55N17O10 825.4318 NA PeJP NA NA +PJ045526 PKKMHW C39H59N11O7S 825.432 NA PeJP NA NA +PJ045527 GTTTKRY C35H59N11O12 825.4345 NA PeJP NA NA +PJ045528 ATHRRW C36H55N15O8 825.4358 NA PeJP NA NA +PJ045529 GGPHFRR C36H55N15O8 825.4359 NA PeJP NA NA +PJ045530 TTKKYW C40H59N9O10 825.4385 NA PeJP NA NA +PJ045531 VQMHRR C33H59N15O8S 825.4392 NA PeJP NA NA +PJ045532 KKKEMY C37H63N9O10S 825.4419 NA PeJP NA NA +PJ045533 VVLFYW C45H59N7O8 825.4425 NA PeJP NA NA +PJ045534 GPVLFFF C45H59N7O8 825.4426 NA PeJP NA NA +PJ045535 APPTERR C34H59N13O11 825.4457 NA PeJP NA NA +PJ045536 GGGGPPTKR C34H59N13O11 825.4458 NA PeJP NA NA +PJ045537 GVLLMFF C42H63N7O8S 825.4459 NA PeJP NA NA +PJ045538 GPPTLRW C39H59N11O9 825.4498 NA PeJP NA NA +PJ045539 AMHRRR C32H59N17O7S 825.4505 NA PeJP NA NA +MJ095602 Carbomycin B C42H67NO15 825.45107 NA MeJP NA NA +MJ095603 Midecamycin A4 C42H67NO15 825.45107 NA MeJP NA NA +PJ045540 TKKMRY C36H63N11O9S 825.4531 NA PeJP NA NA +PJ045541 PPLKWW C44H59N9O7 825.4538 NA PeJP NA NA +PJ045542 TKEHRR C33H59N15O10 825.457 NA PeJP NA NA +PJ045543 LLMFFR C41H63N9O7S 825.4572 NA PeJP NA NA +PJ045544 SSTLKKY C37H63N9O12 825.4596 NA PeJP NA NA +PJ045545 PPVKKEE C37H63N9O12 825.4597 NA PeJP NA NA +PJ045546 SLKHRW C38H59N13O8 825.461 NA PeJP NA NA +PJ045547 AALLLYY C42H63N7O10 825.4637 NA PeJP NA NA +PJ045548 GPPLMRR C35H63N13O8S 825.4644 NA PeJP NA NA +PJ045549 TTHRRR C32H59N17O9 825.4682 NA PeJP NA NA +PJ045550 SPPLKER C36H63N11O11 825.4709 NA PeJP NA NA +PJ045551 SPPVLKW C41H63N9O9 825.4749 NA PeJP NA NA +PJ045552 VKMHRR C34H63N15O7S 825.4756 NA PeJP NA NA +PJ045553 SLLLLMH C38H67N9O9S 825.4783 NA PeJP NA NA +PJ045554 GPVLERR C35H63N13O10 825.4821 NA PeJP NA NA +PJ045555 PLLLLEE C39H67N7O12 825.4848 NA PeJP NA NA +PJ045556 AAPLLRW C40H63N11O8 825.4861 NA PeJP NA NA +PJ045557 PPVVKMR C37H67N11O8S 825.4895 NA PeJP NA NA +PJ045558 PLERRR C34H63N15O9 825.4934 NA PeJP NA NA +PJ045559 PVLLQKE C38H67N9O11 825.496 NA PeJP NA NA +MJ095604 Piperastatin A C38H67N9O11 825.496004 NA MeJP NA NA +PJ045560 GGPLLLKE C38H67N9O11 825.4961 NA PeJP NA NA +PJ045561 PVLRRW C39H63N13O7 825.4974 NA PeJP NA NA +PJ045562 PNKRRR C33H63N17O8 825.5046 NA PeJP NA NA +PJ045563 APLLKER C37H67N11O10 825.5073 NA PeJP NA NA +3110 adrenocorticotropin hormone fr,:11-24 KPVGKKRRPVKVYP 825.511 MH2+ Inhouse_peptide NA peptide +PJ045564 GPLLLKW C42H67N9O8 825.5113 NA PeJP NA NA +PJ045565 PPLLKKM C39H71N9O8S 825.5147 NA PeJP NA NA +PJ045566 APTLLRR C36H67N13O9 825.5185 NA PeJP NA NA +EUR1010 PC 38:7 [M+Na]+ C46H78NO8P 825.528453 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1010 PC 38:7 [M+Na]+ C46H78NO8P 825.528453 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1010 PC 38:7 [M+Na]+ C46H78NO8P 825.528453 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1010 PC 38:7 [M+Na]+ C46H78NO8P 825.528453 masses lipides attendues Inhousejuil11 NA NA +PJ045567 AAPKKRR C35H67N15O8 825.5297 NA PeJP NA NA +HMDB08255 PC(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H76NO8P 825.530884 NA HMDB2010 NA NA +HMDB08511 PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C48H76NO8P 825.530884 NA HMDB2010 NA NA +HMDB08733 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C48H76NO8P 825.530884 NA HMDB2010 NA NA +PJ045568 PVLLKKE C39H71N9O10 825.5324 NA PeJP NA NA +PJ045569 SPLLLKR C38H71N11O9 825.5437 NA PeJP NA NA +EUR687 PC(36:5) [M+FA-H]- C44H78NO8P 825.551387 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR982 PC 36:5 [M+FA-H]- C44H78NO8P 825.551387 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR687 PC(36:5) [M+FA-H]- C44H78NO8P 825.551387 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR982 PC 36:5 [M+FA-H]- C44H78NO8P 825.551387 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR687 PC(36:5) [M+FA-H]- C44H78NO8P 825.551387 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR982 PC 36:5 [M+FA-H]- C44H78NO8P 825.551387 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR687 PC(36:5) [M+FA-H]- C44H78NO8P 825.551387 masses lipides attendues Inhousejuil11 NA NA +EUR982 PC 36:5 [M+FA-H]- C44H78NO8P 825.551387 masses lipides attendues Inhousejuil11 NA NA +PJ045570 GVLLLRR C37H71N13O8 825.5549 NA PeJP NA NA +PJ045571 LLLLLLE C41H75N7O10 825.5576 NA PeJP NA NA +PJ045572 LLLRRR C36H71N15O7 825.5661 NA PeJP NA NA +PJ045573 VLLLLQK C40H75N9O9 825.5688 NA PeJP NA NA +PJ045574 ALLLLKR C39H75N11O8 825.58 NA PeJP NA NA +PJ045575 VLLLLKK C41H79N9O8 825.6052 NA PeJP NA NA +HMDB09113 PE(18:2(9Z,12Z)/24:1(15Z)) C47H88NO8P 825.624756 NA HMDB2010 NA NA +HMDB09145 PE(18:3(6Z,9Z,12Z)/24:0) C47H88NO8P 825.624756 NA HMDB2010 NA NA +HMDB09178 PE(18:3(9Z,12Z,15Z)/24:0) C47H88NO8P 825.624756 NA HMDB2010 NA NA +HMDB09272 PE(20:1(11Z)/22:2(13Z,16Z)) C47H88NO8P 825.624756 NA HMDB2010 NA NA +HMDB09304 PE(20:2(11Z,14Z)/22:1(13Z)) C47H88NO8P 825.624756 NA HMDB2010 NA NA +HMDB09336 PE(20:3(5Z,8Z,11Z)/22:0) C47H88NO8P 825.624756 NA HMDB2010 NA NA +HMDB09369 PE(20:3(8Z,11Z,14Z)/22:0) C47H88NO8P 825.624756 NA HMDB2010 NA NA +HMDB09496 PE(22:0/20:3(5Z,8Z,11Z)) C47H88NO8P 825.624756 NA HMDB2010 NA NA +HMDB09497 PE(22:0/20:3(8Z,11Z,14Z)) C47H88NO8P 825.624756 NA HMDB2010 NA NA +HMDB09528 PE(22:1(13Z)/20:2(11Z,14Z)) C47H88NO8P 825.624756 NA HMDB2010 NA NA +HMDB09560 PE(22:2(13Z,16Z)/20:1(11Z)) C47H88NO8P 825.624756 NA HMDB2010 NA NA +HMDB09721 PE(24:0/18:3(6Z,9Z,12Z)) C47H88NO8P 825.624756 NA HMDB2010 NA NA +HMDB09722 PE(24:0/18:3(9Z,12Z,15Z)) C47H88NO8P 825.624756 NA HMDB2010 NA NA +HMDB09753 PE(24:1(15Z)/18:2(9Z,12Z)) C47H88NO8P 825.624756 NA HMDB2010 NA NA +HMDB08588 PC(22:1(13Z)/P-18:1(11Z)) C48H92NO7P 825.661133 NA HMDB2010 NA NA +HMDB08589 PC(22:1(13Z)/P-18:1(9Z)) C48H92NO7P 825.661133 NA HMDB2010 NA NA +HMDB08620 PC(22:2(13Z,16Z)/P-18:0) C48H92NO7P 825.661133 NA HMDB2010 NA NA +HMDB11258 PC(P-18:0/22:2(13Z,16Z)) C48H92NO7P 825.661133 NA HMDB2010 NA NA +HMDB11290 PC(P-18:1(11Z)/22:1(13Z)) C48H92NO7P 825.661133 NA HMDB2010 NA NA +HMDB11323 PC(P-18:1(9Z)/22:1(13Z)) C48H92NO7P 825.661133 NA HMDB2010 NA NA +HMDB13445 PC(o-22:0/18:3(6Z,9Z,12Z)) C48H92NO7P 825.661133 NA HMDB2010 NA NA +HMDB13446 PC(o-22:0/18:3(9Z,12Z,15Z)) C48H92NO7P 825.661133 NA HMDB2010 NA NA +MJ095605 2-Amino-4,8-octadecadiene-1,3-diol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-glucopyranoside C48H91NO9 825.669383 NA MeJP NA NA +MJ095606 2-Amino-4-octadecene-1,3-diol, N-(2-Hydroxy-15Z-tetracosenoyl), 1-O-?-D-galactopyranoside C48H91NO9 825.669383 NA MeJP NA NA +MJ095607 Acanthacerebroside F C48H91NO9 825.669383 NA MeJP NA NA +HMDB04979 Glucosylceramide (d18:1/25:0) C49H95NO8 825.70575 http://www.hmdb.ca/metabolites/HMDB04979 HMDB NA NA +HMDB04979 Glucosylceramide (d18:1/25:0) C49H95NO8 825.70575 HMDB04979 PFEM_hmdb_metabocards_official NA NA +HMDB04979 Glucosylceramide (d18:1/25:0) C49H95NO8 825.70575 NA HMDB2010 NA NA +7451 coeliac toxic peptide QSGQYQQQPQMQTT 825.8542 MH2+ Inhouse_peptide NA peptide +3024 kinases inhibitor KKKLRRQEAFDAY 825.94995 MH2+ Inhouse_peptide NA peptide +PJ045576 SCCCCCCC C24H42N8O10S7 826.1069 NA PeJP NA NA +MJ095608 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3,7-Bis-O-(6-O-malonyl-?-D-glucopyranoside) C35H39O23(+) 826.180387 NA MeJP NA NA +PJ045577 GSCCCCDH C27H42N10O12S4 826.1867 NA PeJP NA NA +PJ045578 GPCCCDDD C28H42N8O15S3 826.1932 NA PeJP NA NA +MJ095609 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(4-O-malonyl-?-D-glucopyranoside) C39H39O20(+) 826.195643 NA MeJP NA NA +MJ095610 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) C39H39O20(+) 826.195643 NA MeJP NA NA +MJ095611 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxy-Z-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) C39H39O20(+) 826.195643 NA MeJP NA NA +PJ045579 CCCCQMH C28H46N10O9S5 826.2053 NA PeJP NA NA +PJ045580 CNDDDDM C28H42N8O17S2 826.211 NA PeJP NA NA +PJ045581 SPPCCCCD C29H46N8O12S4 826.2118 NA PeJP NA NA +PJ045582 CCCCCHR C27H46N12O8S5 826.2166 NA PeJP NA NA +PJ045583 GSCCNNDD C27H42N10O16S2 826.2222 NA PeJP NA NA +PJ045584 GSSCCCMH C28H46N10O11S4 826.2231 NA PeJP NA NA +PJ045585 GCCDDEW C32H42N8O14S2 826.2262 NA PeJP NA NA +PJ045586 GSSCDDDE C28H42N8O19S 826.2287 NA PeJP NA NA +PJ045587 GSPCCDDM C29H46N8O14S3 826.2296 NA PeJP NA NA +PJ045588 APPCCCCM C30H50N8O9S5 826.2305 NA PeJP NA NA +PJ045589 SSSTCCCH C28H46N10O13S3 826.2408 NA PeJP NA NA +PJ045590 GGGGGGCCEM C28H46N10O13S3 826.2409 NA PeJP NA NA +PJ045591 CCDDWW C36H42N8O11S2 826.2415 NA PeJP NA NA +PJ045592 CCCCKMH C29H50N10O8S5 826.2417 NA PeJP NA NA +MJ095612 Benanomicin B C39H42N2O18 826.243262 NA MeJP NA NA +MJ095613 Pradimicin D C39H42N2O18 826.243262 NA MeJP NA NA +C06786 Pradimicin C C39H42N2O18 826.2433 NA KEGG NA NA +PJ045593 SSCDDDW C32H42N8O16S 826.244 NA PeJP NA NA +PJ045594 SPCCCEW C33H46N8O11S3 826.2448 NA PeJP NA NA +PJ045595 SSSSDDDD C28H42N8O21 826.2465 NA PeJP NA NA +PJ045596 SNDDDMM C29H46N8O16S2 826.2473 NA PeJP NA NA +PJ045597 GGSDDDMM C29H46N8O16S2 826.2474 NA PeJP NA NA +PJ045598 PCCNEMM C30H50N8O11S4 826.2482 NA PeJP NA NA +PJ045599 CCCNNDR C27H46N12O12S3 826.2521 NA PeJP NA NA +PJ045600 GCCNNMW C32H46N10O10S3 826.2561 NA PeJP NA NA +PJ045601 SCCDDER C28H46N10O15S2 826.2586 NA PeJP NA NA +PJ045602 PCCCDMR C29H50N10O10S4 826.2595 NA PeJP NA NA +PJ045603 GNDDDEY C32H42N8O18 826.2617 NA PeJP NA NA +PJ045604 GGGDDDEY C32H42N8O18 826.2618 NA PeJP NA NA +PJ045605 GSCDEMW C33H46N8O13S2 826.2626 NA PeJP NA NA +PJ045606 GPCCMMW C34H50N8O8S4 826.2635 NA PeJP NA NA +PJ045607 GSSSDDEM C29H46N8O18S 826.2651 NA PeJP NA NA +PJ045608 GNDEMMM C30H50N8O13S3 826.266 NA PeJP NA NA +PJ045609 SCNDDHH C30H42N12O14S 826.2664 NA PeJP NA NA +PJ045610 GGSCDDHH C30H42N12O14S 826.2665 NA PeJP NA NA +PJ045611 CCEFYY C38H46N6O11S2 826.2666 NA PeJP NA NA +PJ045612 PCCCQHH C31H46N12O9S3 826.2673 NA PeJP NA NA +PJ045613 PNDDDDH C31H42N10O17 826.273 NA PeJP NA NA +PJ045614 SSCCNQW C32H46N10O12S2 826.2738 NA PeJP NA NA +PJ045615 GGGGSTCCW C32H46N10O12S2 826.2739 NA PeJP NA NA +PJ045616 SSSSCNNE C28H46N10O17S 826.2763 NA PeJP NA NA +PJ045617 GGGGSSSSCE C28H46N10O17S 826.2764 NA PeJP NA NA +PJ045618 NDDDYW C36H42N8O15 826.277 NA PeJP NA NA +PJ045619 GCDDMMR C29H50N10O12S3 826.2772 NA PeJP NA NA +PJ045620 SCDMWW C37H46N8O10S2 826.2779 NA PeJP NA NA +MJ095614 Perdeacyleuojaponin; 1-(3-Pyridinecarbonyl), 6,8,9,14-tetra-Ac C40H46N2O17 826.279648 NA MeJP NA NA +PJ045621 SSSDDMW C33H46N8O15S 826.2804 NA PeJP NA NA +PJ045622 NDMMMW C34H50N8O10S3 826.2812 NA PeJP NA NA +PJ045623 SSSSSDEE C29H46N8O20 826.2829 NA PeJP NA NA +PJ045624 SSNEEMM C30H50N8O15S2 826.2837 NA PeJP NA NA +PJ045625 SCEYYY C38H46N6O13S 826.2844 NA PeJP NA NA +PJ045626 SPCQMMM C31H54N8O10S4 826.2846 NA PeJP NA NA +PJ045627 GCNEMHH C31H46N12O11S2 826.2851 NA PeJP NA NA +PJ045628 EEEEEY C34H46N6O18 826.2869 NA PeJP NA NA +PJ045629 SCCNNMR C28H50N12O11S3 826.2884 NA PeJP NA NA +PJ045630 GGSCCNMR C28H50N12O11S3 826.2885 NA PeJP NA NA +PJ045631 GCCNHFF C36H46N10O9S2 826.2891 NA PeJP NA NA +PJ045632 GSSSSCNW C32H46N10O14S 826.2916 NA PeJP NA NA +PJ045633 CCEMRW C33H50N10O9S3 826.2925 NA PeJP NA NA +PJ045634 GSSSSSSND C28H46N10O19 826.2941 NA PeJP NA NA +PJ045635 SSCDEMR C29H50N10O14S2 826.295 NA PeJP NA NA +PJ045636 GSPCDYW C37H46N8O12S 826.2956 NA PeJP NA NA +PJ045637 SPCCMMR C30H54N10O9S4 826.2958 NA PeJP NA NA +PJ045638 GCCDHHR C30H46N14O10S2 826.2963 NA PeJP NA NA +PJ045639 ACMMWW C38H50N8O7S3 826.2965 NA PeJP NA NA +PJ045640 GSNEEEY C33H46N8O17 826.2981 NA PeJP NA NA +PJ045641 GSSEMMW C34H50N8O12S2 826.299 NA PeJP NA NA +PJ045642 MMMMHF C35H54N8O7S4 826.2999 NA PeJP NA NA +PJ045643 CNMHHW C35H46N12O8S2 826.3003 NA PeJP NA NA +PJ045644 GSSSTEEM C30H50N8O17S 826.3015 NA PeJP NA NA +PJ045645 GTQEMMM C31H54N8O12S3 826.3024 NA PeJP NA NA +PJ045646 SSNDMHH C31H46N12O13S 826.3028 NA PeJP NA NA +PJ045647 GGGGPCNEH C31H46N12O13S 826.3029 NA PeJP NA NA +PJ045648 GMMYYY C39H50N6O10S2 826.303 NA PeJP NA NA +PJ045649 PCCCKHH C32H50N12O8S3 826.3037 NA PeJP NA NA +PJ045650 GSSSCCQR C28H50N12O13S2 826.3062 NA PeJP NA NA +PJ045651 CNNQYW C36H46N10O11S 826.3068 NA PeJP NA NA +PJ045652 GGGGCQYW C36H46N10O11S 826.3069 NA PeJP NA NA +PJ045653 SSNNNEY C32H46N10O16 826.3093 NA PeJP NA NA +PJ045654 GSDDDRY C32H46N10O16 826.3094 NA PeJP NA NA +PJ045655 SSCCNKW C33H50N10O11S2 826.3102 NA PeJP NA NA +PJ045656 GGGGGGGMMF C33H50N10O11S2 826.3103 NA PeJP NA NA +PJ045657 GCEFWW C41H46N8O9S 826.3109 NA PeJP NA NA +PJ045658 SSSSSNQM C29H50N10O16S 826.3127 NA PeJP NA NA +PJ045659 SNEEYW C37H46N8O14 826.3134 NA PeJP NA NA +PJ045660 GSDMMMR C30H54N10O11S3 826.3136 NA PeJP NA NA +PJ045661 SSMMWW C38H50N8O9S2 826.3142 NA PeJP NA NA +PJ045662 GAPCMYW C38H50N8O9S2 826.3143 NA PeJP NA NA +PJ045663 SSSTEMW C34H50N8O14S 826.3167 NA PeJP NA NA +PJ045664 GAQEEMY C34H50N8O14S 826.3168 NA PeJP NA NA +PJ045665 GDFYYY C42H46N6O12 826.3174 NA PeJP NA NA +PJ045666 TQMMMW C35H54N8O9S3 826.3176 NA PeJP NA NA +PJ045667 GSTCHHW C35H46N12O10S 826.3181 NA PeJP NA NA +PJ045668 SSSSTTEE C30H50N8O19 826.3192 NA PeJP NA NA +PJ045669 SSDKEMM C31H54N8O14S2 826.3201 NA PeJP NA NA +PJ045670 GSSSSEHH C31H46N12O15 826.3206 NA PeJP NA NA +PJ045671 STMYYY C39H50N6O12S 826.3208 NA PeJP NA NA +PJ045672 GVQMMMM C32H58N8O9S4 826.321 NA PeJP NA NA +PJ045673 GCCNQFR C32H50N12O10S2 826.3215 NA PeJP NA NA +PJ045674 SSSSSCNR C28H50N12O15S 826.324 NA PeJP NA NA +PJ045675 GSSNNYW C36H46N10O13 826.3246 NA PeJP NA NA +PJ045676 SCCCQKR C29H54N12O10S3 826.3248 NA PeJP NA NA +PJ045677 PCCRYW C37H50N10O8S2 826.3255 NA PeJP NA NA +PJ045678 CFWWW C45H46N8O6S 826.3261 NA PeJP NA NA +PJ045679 NDEMRY C33H50N10O13S 826.328 NA PeJP NA NA +PJ045680 GSEYWW C41H46N8O11 826.3286 NA PeJP NA NA +PJ045681 TCMMRW C34H54N10O8S3 826.3289 NA PeJP NA NA +PJ045682 EMHHHH C34H46N14O9S 826.3293 NA PeJP NA NA +PJ045683 GSSSSSSTQ C29H50N10O18 826.3305 NA PeJP NA NA +PJ045684 SSSEMMR C30H54N10O13S2 826.3313 NA PeJP NA NA +PJ045685 GSSSCQKM C30H54N10O13S2 826.3314 NA PeJP NA NA +PJ045686 GNNDDHR C30H46N14O14 826.3318 NA PeJP NA NA +PJ045687 GGGGGDDHR C30H46N14O14 826.3319 NA PeJP NA NA +PJ045688 AQEMYW C38H50N8O11S 826.332 NA PeJP NA NA +PJ045689 QMMMMR C31H58N10O8S4 826.3322 NA PeJP NA NA +PJ045690 GSCMHHR C31H50N14O9S2 826.3327 NA PeJP NA NA +PJ045691 CHHHFF C39H46N12O7S 826.3334 NA PeJP NA NA +PJ045692 GSDKEEY C34H50N8O16 826.3345 NA PeJP NA NA +PJ045693 GTTTMMW C35H54N8O11S2 826.3354 NA PeJP NA NA +PJ045694 SSSSHHW C35H46N12O12 826.3358 NA PeJP NA NA +PJ045695 GGGGQEHW C35H46N12O12 826.3359 NA PeJP NA NA +PJ045696 GMFFYY C43H50N6O9S 826.336 NA PeJP NA NA +PJ045697 SSSSSLEM C31H54N8O16S 826.3379 NA PeJP NA NA +PJ045698 GTKEMMM C32H58N8O11S3 826.3387 NA PeJP NA NA +PJ045699 GGSTLMMM C32H58N8O11S3 826.3388 NA PeJP NA NA +PJ045700 CDDRRY C32H50N12O12S 826.3392 NA PeJP NA NA +PJ045701 SPDHWW C40H46N10O10 826.3399 NA PeJP NA NA +PJ045702 GSSSCCKR C29H54N12O12S2 826.3426 NA PeJP NA NA +PJ045703 GDMRYW C37H50N10O10S 826.3432 NA PeJP NA NA +PJ045704 GGGGCKYW C37H50N10O10S 826.3433 NA PeJP NA NA +PJ045705 CMMMRR C30H58N12O7S4 826.3435 NA PeJP NA NA +PJ045706 SYWWW C45H46N8O8 826.3439 NA PeJP NA NA +PJ045707 GSSEERY C33H50N10O15 826.3457 NA PeJP NA NA +PJ045708 GGGGGGTTTY C33H50N10O15 826.3458 NA PeJP NA NA +PJ045709 GPTCMRY C34H54N10O10S2 826.3466 NA PeJP NA NA +PJ045710 GPNEHHH C34H46N14O11 826.3471 NA PeJP NA NA +PJ045711 AAMYWW C42H50N8O8S 826.3473 NA PeJP NA NA +PJ045712 SSSSSNKM C30H54N10O15S 826.3491 NA PeJP NA NA +PJ045713 SSSPTYW C38H50N8O13 826.3497 NA PeJP NA NA +PJ045714 SDKEYW C38H50N8O13 826.3498 NA PeJP NA NA +PJ045715 GTTMMMR C31H58N10O10S3 826.35 NA PeJP NA NA +PJ045716 SSTCHHR C31H50N14O11S 826.3504 NA PeJP NA NA +PJ045717 GGSPCNHR C31H50N14O11S 826.3505 NA PeJP NA NA +MJ095615 Magnolianin C54H50O8 826.350568 NA MeJP NA NA +PJ045718 PCKMYW C39H54N8O8S2 826.3506 NA PeJP NA NA +PJ045719 GNQHWW C39H46N12O9 826.3511 NA PeJP NA NA +PJ045720 STTTTMW C35H54N8O13S 826.3531 NA PeJP NA NA +PJ045721 GAPPPEEM C35H54N8O13S 826.3532 NA PeJP NA NA +PJ045722 GVYYYY C43H50N6O11 826.3538 NA PeJP NA NA +PJ045723 TKMMMW C36H58N8O8S3 826.354 NA PeJP NA NA +PJ045724 PCEHRW C36H50N12O9S 826.3545 NA PeJP NA NA +PJ045725 SSTTTTTE C31H54N8O18 826.3556 NA PeJP NA NA +PJ045726 STTKEMM C32H58N8O13S2 826.3565 NA PeJP NA NA +PJ045727 SSSNNRY C32H50N12O14 826.357 NA PeJP NA NA +PJ045728 GVKMMMM C33H62N8O8S4 826.3574 NA PeJP NA NA +MJ095616 Tremasterol A; 6'-Ac C37H63O16PS 826.357443 NA MeJP NA NA +PJ045729 GCCNKFR C33H54N12O9S2 826.3578 NA PeJP NA NA +PJ045730 CDMFRR C33H54N12O9S2 826.3579 NA PeJP NA NA +PJ045731 APMHWW C41H50N10O7S 826.3585 NA PeJP NA NA +PJ045732 SSERYW C37H50N10O12 826.361 NA PeJP NA NA +PJ045733 SCCCKKR C30H58N12O9S3 826.3612 NA PeJP NA NA +PJ045734 GMMFRW C38H54N10O7S2 826.3619 NA PeJP NA NA +PJ045735 PNHHHW C38H46N14O8 826.3623 NA PeJP NA NA +PJ045736 GGPHHHW C38H46N14O8 826.3624 NA PeJP NA NA +PJ045737 TQEMRY C34H54N10O12S 826.3644 NA PeJP NA NA +PJ045738 ATTYWW C42H50N8O10 826.365 NA PeJP NA NA +PJ045739 CQHHFR C35H50N14O8S 826.3657 NA PeJP NA NA +PJ045740 GSSSSSSTK C30H54N10O17 826.3669 NA PeJP NA NA +PJ045741 STTTMMR C31H58N10O12S2 826.3677 NA PeJP NA NA +PJ045742 DDEHRR C31H50N14O13 826.3682 NA PeJP NA NA +PJ045743 AKEMYW C39H54N8O10S 826.3684 NA PeJP NA NA +PJ045744 KMMMMR C32H62N10O7S4 826.3686 NA PeJP NA NA +PJ045745 GFFFFY C47H50N6O8 826.369 NA PeJP NA NA +PJ045746 GTTKEEY C35H54N8O15 826.3709 NA PeJP NA NA +PJ045747 GPTKMMY C36H58N8O10S2 826.3718 NA PeJP NA NA +PJ045748 AEEHRW C36H50N12O11 826.3722 NA PeJP NA NA +PJ045749 GGGGKEHW C36H50N12O11 826.3723 NA PeJP NA NA +PJ045750 SSSTTTLM C32H58N8O15S 826.3743 NA PeJP NA NA +PJ045751 SSLKMMM C33H62N8O10S3 826.3751 NA PeJP NA NA +PJ045752 SDMRRY C33H54N12O11S 826.3756 NA PeJP NA NA +PJ045753 GLEHWW C41H50N10O9 826.3763 NA PeJP NA NA +PJ045754 ATMRYW C38H54N10O9S 826.3796 NA PeJP NA NA +PJ045755 AAFFWW C46H50N8O7 826.3803 NA PeJP NA NA +PJ045756 GTTTERY C34H54N10O14 826.3821 NA PeJP NA NA +PJ045757 GGGGGSPPLE C34H54N10O14 826.3822 NA PeJP NA NA +PJ045758 VQMMRY C35H58N10O9S2 826.383 NA PeJP NA NA +MJ095617 4(15)-Eudesmene-2,11-diol; 2?-form, 2,11-Di-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] C37H62O20 826.383444 NA MeJP NA NA +PJ045759 SNQHRW C35H50N14O10 826.3835 NA PeJP NA NA +PJ045760 PCKFFW C43H54N8O7S 826.3837 NA PeJP NA NA +PJ045761 SSSSTCKK C31H58N10O14S 826.3855 NA PeJP NA NA +PJ045762 TTKEYW C39H54N8O12 826.3861 NA PeJP NA NA +PJ045763 GPPLEEW C39H54N8O12 826.3862 NA PeJP NA NA +PJ045764 SCCKKKM C32H62N10O9S3 826.3864 NA PeJP NA NA +PJ045765 QQQMHR C32H54N14O10S 826.3868 NA PeJP NA NA +PJ045766 GGAAQMHR C32H54N14O10S 826.3869 NA PeJP NA NA +PJ045767 CLKMFW C40H58N8O7S2 826.387 NA PeJP NA NA +PJ045768 GNKHWW C40H50N12O8 826.3875 NA PeJP NA NA +7417 coeliac toxic peptide QPFPQPQQPFPQSQ 826.388 MH2+ Inhouse_peptide NA peptide +PJ045769 KKEEMY C36H58N8O12S 826.3895 NA PeJP NA NA +PJ045770 PTMHRW C37H54N12O8S 826.3909 NA PeJP NA NA +PJ045771 LHWWW C45H50N10O6 826.3915 NA PeJP NA NA +PJ045772 TTTTTTTT C32H58N8O17 826.392 NA PeJP NA NA +PJ045773 SSLQQQH C33H54N12O13 826.3933 NA PeJP NA NA +PJ045774 KEEEHR C33H54N12O13 826.3934 NA PeJP NA NA +PJ045775 AMMRRY C34H58N12O8S2 826.3942 NA PeJP NA NA +PJ045776 GSPHHHR C34H50N16O9 826.3947 NA PeJP NA NA +PJ045777 TTTRYW C38H54N10O11 826.3974 NA PeJP NA NA +PJ045778 NNMHRR C31H54N16O9S 826.3981 NA PeJP NA NA +MJ095618 Fevicordin F; 2-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C41H62O17 826.3987 NA MeJP NA NA +MJ095619 Fevicordin F; 23,24-Dihydro, 22-ketone, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C41H62O17 826.3987 NA MeJP NA NA +PJ045779 LHHHHF C39H50N14O7 826.3987 NA PeJP NA NA +PJ045780 ASSLMRY C35H58N10O11S 826.4007 NA PeJP NA NA +PJ045781 TKEMRY C35H58N10O11S 826.4008 NA PeJP NA NA +MJ095620 Hymenamide C C43H54N8O9 826.401375 NA MeJP NA NA +PJ045782 PPLEWW C43H54N8O9 826.4014 NA PeJP NA NA +PJ045783 CKHHFR C36H54N14O7S 826.4021 NA PeJP NA NA +PJ045784 TEEHRR C32H54N14O12 826.4046 NA PeJP NA NA +PJ045785 SLKMYW C40H58N8O9S 826.4048 NA PeJP NA NA +PJ045786 PMMHRR C33H58N14O7S2 826.4055 NA PeJP NA NA +PJ045787 SSTLKEY C36H58N8O14 826.4073 NA PeJP NA NA +PJ045788 ASLKMMF C37H62N8O9S2 826.4081 NA PeJP NA NA +PJ045789 AALKMMY C37H62N8O9S2 826.4082 NA PeJP NA NA +PJ045790 SLEHRW C37H54N12O10 826.4086 NA PeJP NA NA +PJ045791 TTMRRY C34H58N12O10S 826.412 NA PeJP NA NA +PJ045792 SVLHWW C42H54N10O8 826.4126 NA PeJP NA NA +PJ045793 GGPPKWW C42H54N10O8 826.4127 NA PeJP NA NA +MJ095621 Leurosidine; Nb'-Oxide C46H58N4O10 826.415294 NA MeJP NA NA +MJ095622 Vinblastine; 14'-Hydroxy C46H58N4O10 826.415294 NA MeJP NA NA +MJ095623 Vinblastine; 15'?-Hydroxy C46H58N4O10 826.415294 NA MeJP NA NA +MJ095624 Vinblastine; 15'?-Hydroxy C46H58N4O10 826.415294 NA MeJP NA NA +PJ045794 GSSQHRR C31H54N16O11 826.4158 NA PeJP NA NA +PJ045795 GGGGGPNRR C31H54N16O11 826.4159 NA PeJP NA NA +PJ045796 LLQMHW C39H58N10O8S 826.416 NA PeJP NA NA +PJ045797 SSTTLRY C35H58N10O13 826.4185 NA PeJP NA NA +PJ045798 VKMMRY C36H62N10O8S2 826.4194 NA PeJP NA NA +PJ045799 SNKHRW C36H54N14O9 826.4199 NA PeJP NA NA +PJ045800 SPPVLEW C40H58N8O11 826.4225 NA PeJP NA NA +MJ095625 Stelladelin B C40H58N8O11 826.422504 NA MeJP NA NA +PJ045801 GAPPPLEF C40H58N8O11 826.4226 NA PeJP NA NA +PJ045802 VEMHRR C33H58N14O9S 826.4232 NA PeJP NA NA +PJ045803 FRRYW C41H54N12O7 826.4239 NA PeJP NA NA +PJ045804 ATTLKMY C37H62N8O11S 826.4259 NA PeJP NA NA +PJ045805 VVMHRW C38H58N12O7S 826.4273 NA PeJP NA NA +PJ045806 ATTLEHR C34H58N12O12 826.4297 NA PeJP NA NA +PJ045807 VVTTDHR C34H58N12O12 826.4298 NA PeJP NA NA +PJ045808 LQHHHR C35H54N16O8 826.4311 NA PeJP NA NA +PJ045809 GTTLLHW C39H58N10O10 826.4338 NA PeJP NA NA +PJ045810 CQKHRR C32H58N16O8S 826.4345 NA PeJP NA NA +MJ095626 2,3,16,21,23-Pentahydroxy-12-oleanen-28-oic acid, 28?21 Lactone, 3-O-[?-D-Glucopyranosyl(1?2)-?-D-glucopyranoside] C42H66O16 826.435086 NA MeJP NA NA +MJ095627 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester C42H66O16 826.435086 NA MeJP NA NA +MJ095628 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucuronopyranoside] C42H66O16 826.435086 NA MeJP NA NA +MJ095629 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester C42H66O16 826.435086 NA MeJP NA NA +MJ095630 2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Xylopyranoside, 28-O-?-D-glucopyranosyl ester, 30-Me ester C42H66O16 826.435086 NA MeJP NA NA +MJ095631 2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside], 20-epimer, 30-Me ester C42H66O16 826.435086 NA MeJP NA NA +MJ095632 2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C42H66O16 826.435086 NA MeJP NA NA +MJ095633 2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester C42H66O16 826.435086 NA MeJP NA NA +MJ095634 2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] C42H66O16 826.435086 NA MeJP NA NA +MJ095635 3,16-Dihydroxy-12-oleanene-23,28-dioic acid, 23,28-Di-O-?-D-glucopyranosyl ester C42H66O16 826.435086 NA MeJP NA NA +MJ095636 3,16-Dihydroxy-12-oleanene-23,28-dioic acid, 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C42H66O16 826.435086 NA MeJP NA NA +MJ095637 3,19-Dihydroxy-12-oleanene-24,28-dioic acid, 24,28-Di-O-?-D-glucopyranosyl ester C42H66O16 826.435086 NA MeJP NA NA +MJ095638 3,19-Dihydroxy-12-ursene-24,28-dioic acid, 24,28-Di-O-?-D-glucopyranosyl ester C42H66O16 826.435086 NA MeJP NA NA +MJ095639 3,23,29-Trihydroxy-12-oleanen-28-oic acid, 23-Carboxylic acid, 28-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C42H66O16 826.435086 NA MeJP NA NA +MJ095640 3,23,29-Trihydroxy-12-oleanen-28-oic acid, 23-Carboxylic acid, 3-O-?-D-glucopyranoside, 28-?-D-glucopyranosyl ester C42H66O16 826.435086 NA MeJP NA NA +MJ095641 3,23,29-Trihydroxy-12-oleanen-28-oic acid, 23-Carboxylic acid, 3-O-[?-D-galactopyranosyl-(1?6)-?-D-glucopyranoside] C42H66O16 826.435086 NA MeJP NA NA +MJ095642 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] C42H66O16 826.435086 NA MeJP NA NA +PJ045811 GTCKKKY C36H62N10O10S 826.4371 NA PeJP NA NA +PJ045812 PPVVEMR C36H62N10O10S 826.4372 NA PeJP NA NA +PJ045813 ALKFYW C44H58N8O8 826.4378 NA PeJP NA NA +PJ045814 AAPQERR C33H58N14O11 826.441 NA PeJP NA NA +PJ045815 APPLLMW C41H62N8O8S 826.4412 NA PeJP NA NA +PJ045816 TTTTLKY C37H62N8O13 826.4436 NA PeJP NA NA +PJ045817 PVLLQEE C37H62N8O13 826.4437 NA PeJP NA NA +PJ045818 GSPPKRW C38H58N12O9 826.445 NA PeJP NA NA +2631 synthetic fr, of human beta-CN (46-52) ACE inhibitor PQPLIYP 826.445 NA Inhouse_peptide NA peptide +PJ045819 GTLLMHR C35H62N12O9S 826.4484 NA PeJP NA NA +PJ045820 PLKHFW C43H58N10O7 826.449 NA PeJP NA NA +PJ045821 PNERRR C32H58N16O10 826.4522 NA PeJP NA NA +PJ045822 LLKMHW C40H62N10O7S 826.4524 NA PeJP NA NA +PJ045823 SSSKKKY C36H62N10O12 826.4549 NA PeJP NA NA +PJ045824 PVNRRW C37H58N14O8 826.4562 NA PeJP NA NA +PJ045825 GGPVRRW C37H58N14O8 826.4563 NA PeJP NA NA +PJ045826 GPLLLEW C41H62N8O10 826.4589 NA PeJP NA NA +PJ045827 APPCKRR C34H62N14O8S 826.4596 NA PeJP NA NA +PJ045828 PPLLKEM C38H66N8O10S 826.4623 NA PeJP NA NA +PJ045829 STTLLHR C35H62N12O11 826.4661 NA PeJP NA NA +PJ045830 GGAPLKER C35H62N12O11 826.4662 NA PeJP NA NA +PJ045831 GPRRRW C36H58N16O7 826.4675 NA PeJP NA NA +PJ045832 NKKKFY C40H62N10O9 826.4701 NA PeJP NA NA +PJ045833 APPTKKW C40H62N10O9 826.4702 NA PeJP NA NA +PJ045834 CKKHRR C33H62N16O7S 826.4708 NA PeJP NA NA +MJ095643 20,24-Epoxycycloartane-3,6,16,25-tetrol, 16-Ac, 3-O-?-D-xylopyranoside, 6-O-?-D-glucopyranoside C43H70O15 826.471471 NA MeJP NA NA +MJ095644 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2-O-Acetyl-?-D-xylopyranoside), 6-O-?-D-glucopyranoside C43H70O15 826.471471 NA MeJP NA NA +MJ095645 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(3-O-Acetyl-?-D-xylopyranoside), 6-O-?-D-glucopyranoside C43H70O15 826.471471 NA MeJP NA NA +MJ095646 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(4-O-Acetyl-?-D-xylopyranoside), 6-O-?-D-glucopyranoside C43H70O15 826.471471 NA MeJP NA NA +MJ095647 20,24-Epoxycycloartane-3,6,16,25-tetrol, 6-O-?-D-Glucopyranoside, 3-O-(2-O-acetyl-?-D-xylopyranoside) C43H70O15 826.471471 NA MeJP NA NA +PJ045835 PPTLLMR C37H66N10O9S 826.4735 NA PeJP NA NA +PJ045836 PLLLWW C45H62N8O7 826.4742 NA PeJP NA NA +PJ045837 AAPKERR C34H62N14O10 826.4774 NA PeJP NA NA +PJ045838 SSPPTLLL C38H66N8O12 826.48 NA PeJP NA NA +PJ045839 PVLLKEE C38H66N8O12 826.4801 NA PeJP NA NA +PJ045840 PLQKRW C39H62N12O8 826.4814 NA PeJP NA NA +PJ045841 APPKKMR C36H66N12O8S 826.4848 NA PeJP NA NA +PJ045842 PDKRRR C33H62N16O9 826.4886 NA PeJP NA NA +PJ045843 SPLLLER C37H66N10O11 826.4913 NA PeJP NA NA +PJ045844 VLHFRR C38H62N14O7 826.4926 NA PeJP NA NA +PJ045845 SPVLLLW C42H66N8O9 826.4953 NA PeJP NA NA +PJ045846 KKKMHR C35H66N14O7S 826.496 NA PeJP NA NA +PJ045847 PLLLLQM C39H70N8O9S 826.4987 NA PeJP NA NA +PJ045848 SPRRRR C32H62N18O8 826.4998 NA PeJP NA NA +PJ045849 GPLKKER C36H66N12O10 826.5025 NA PeJP NA NA +PJ045850 GPVLKKW C41H66N10O8 826.5065 NA PeJP NA NA +MJ095648 Scopamycin A C44H74O14 826.507857 NA MeJP NA NA +PJ045851 PVVLLMR C38H70N10O8S 826.5099 NA PeJP NA NA +2579 tenecin-1 (35-43) NGKRVCVCR~ 826.5119 antibacterial Inhouse_peptide NA peptide +2582 tenecin-1 (34-43) CNGKRVCVCR~ 826.5119 antibacterial Inhouse_peptide NA peptide +PJ045852 GPTLKRR C35H66N14O9 826.5138 NA PeJP NA NA +PJ045853 VLLLLQE C39H70N8O11 826.5164 NA PeJP NA NA +PJ045854 GGLLLLLE C39H70N8O11 826.5165 NA PeJP NA NA +PJ045855 PLKKRW C40H66N12O7 826.5178 NA PeJP NA NA +MJ095649 Bacchomagellins; Bacchomagellin B C48H74O11 826.523113 NA MeJP NA NA +PJ045856 VLQRRR C34H66N16O8 826.525 NA PeJP NA NA +2952 mastoparan from vespa vasalis LKLKSIVAWAKKVLG 826.527 MH2+ Inhouse_peptide NA peptide +PJ045857 ALLLLER C38H70N10O10 826.5277 NA PeJP NA NA +PJ045858 GLLLLLW C43H70N8O8 826.5317 NA PeJP NA NA +PJ045859 PLLLLKM C40H74N8O8S 826.5351 NA PeJP NA NA +PJ045860 ALRRRR C33H66N18O7 826.5362 NA PeJP NA NA +PJ045861 SPVLKKR C37H70N12O9 826.5389 NA PeJP NA NA +PJ045862 AALLKRR C36H70N14O8 826.5501 NA PeJP NA NA +PJ045863 GVVLKRR C36H70N14O8 826.5502 NA PeJP NA NA +PJ045864 VLLLLKE C40H74N8O10 826.5528 NA PeJP NA NA +PJ045865 VLKRRR C35H70N16O7 826.5614 NA PeJP NA NA +PJ045866 SLLLLLR C39H74N10O9 826.5641 NA PeJP NA NA +HMDB10611 PG(18:0/22:4(7Z,10Z,13Z,16Z)) C46H83O10P 826.572388 NA HMDB2010 NA NA +PJ045867 GLLLKKR C38H74N12O8 826.5753 NA PeJP NA NA +PJ045868 VVLLKKK C40H78N10O8 826.6004 NA PeJP NA NA +MJ095650 Oleanolic acid glycosyl esters; Monoglycosides, 3-Hexadecanoyl, 28-O-?-L-arabinopyranosyl ester C51H86O8 826.632269 NA MeJP NA NA +MJ095651 20(29)-Lupene-3,28-diol, 3-O-(4-Hydroxy-E-cinnamoyl), 28-O-hexadecanoyl C55H86O5 826.647525 NA MeJP NA NA +MJ095652 Ergost-5-en-3-ol, O-[6-O-(9Z-Octadecenoyl)-?-D-glucopyranoside] C52H90O7 826.668655 NA MeJP NA NA +HMDB05435 TG(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))[iso3] C53H94O6 826.705017 NA HMDB2010 NA NA +HMDB10424 TG(16:1(9Z)/16:0/18:3(9Z,12Z,15Z))[iso6] C53H94O6 826.705017 NA HMDB2010 NA NA +HMDB10470 TG(18:2(9Z,12Z)/14:0/18:2(9Z,12Z))[iso3] C53H94O6 826.705017 NA HMDB2010 NA NA +HMDB05435 TG(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))[iso3] C53H94O6 826.70502 http://www.hmdb.ca/metabolites/HMDB05435 HMDB NA NA +HMDB05435 TG(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))[iso3] C53H94O6 826.70502 HMDB05435 PFEM_hmdb_metabocards_official NA NA +HMDB10346 Triiodothyronine glucuronide C21H20I3NO10 826.822144 NA HMDB2010 NA NA +PJ045869 CCCCCMY C29H45N7O9S6 827.1603 NA PeJP NA NA +FL7AAIGL0035 Malvidin 3,7-di-(6-malonylglucoside) C35H39O23 827.18821 783287-55-8 knapsack NA NA +PJ045870 CCCCEMH C28H45N9O10S5 827.1893 NA PeJP NA NA +PJ045871 CCCCCFF C33H45N7O8S5 827.1933 NA PeJP NA NA +PJ045872 CDDDDDM C28H41N7O18S2 827.195 NA PeJP NA NA +FL7AAAGL0034 Pelargonidin 3-(6''-p-coumarylglucoside)-5-(4'''-malonylglucoside) C39H39O20 827.20346 167774-89-2 knapsack NA NA +FL7AAAGL0035 Monodemalonylmonardaein C39H39O20 827.20346 101205-00-9 knapsack NA NA +PJ045873 GSCCNDDD C27H41N9O17S2 827.2062 NA PeJP NA NA +PJ045874 GPCCCCNE C28H45N9O12S4 827.2071 NA PeJP NA NA +PJ045875 ACCCCYY C33H45N7O10S4 827.2111 NA PeJP NA NA +PJ045876 PCCCCNW C32H45N9O9S4 827.2223 NA PeJP NA NA +PJ045877 GGPCCCCW C32H45N9O9S4 827.2224 NA PeJP NA NA +PJ045878 CCNNDEM C28H45N9O14S3 827.2248 NA PeJP NA NA +PJ045879 GGCCNDEM C28H45N9O14S3 827.2249 NA PeJP NA NA +PJ045880 TCCCMMH C29H49N9O9S5 827.2257 NA PeJP NA NA +MJ095653 Benanomicin A C39H41NO19 827.227278 NA MeJP NA NA +C06788 Benanomicin A C39H41NO19 827.2273 NA KEGG NA NA +PJ045881 SSCCCYY C33H45N7O12S3 827.2289 NA PeJP NA NA +PJ045882 SDDDDMM C29H45N7O17S2 827.2314 NA PeJP NA NA +PJ045883 PCCDEMM C30H49N7O12S4 827.2322 NA PeJP NA NA +PJ045884 CCCNDDR C27H45N11O13S3 827.2361 NA PeJP NA NA +PJ045885 GCCNDMW C32H45N9O11S3 827.2401 NA PeJP NA NA +PJ045886 GSSCNDDM C28H45N9O16S2 827.2426 NA PeJP NA NA +PJ045887 GSPCCCQM C29H49N9O11S4 827.2435 NA PeJP NA NA +C11441 Deshydroxy-C-1027 chromophore C43H42ClN3O12 827.2457 NA KEGG NA NA +PJ045888 GDDDDEY C32H41N7O19 827.2458 NA PeJP NA NA +PJ045889 PCCDDEF C33H45N7O14S2 827.2466 NA PeJP NA NA +PJ045890 GDDEMMM C30H49N7O14S3 827.25 NA PeJP NA NA +PJ045891 SCDDDHH C30H41N11O15S 827.2505 NA PeJP NA NA +PJ045892 PCCCEHH C31H45N11O10S3 827.2513 NA PeJP NA NA +PJ045893 SSSCCNNN C27H45N11O15S2 827.2538 NA PeJP NA NA +PJ045894 GSPCCCCR C28H49N11O10S4 827.2547 NA PeJP NA NA +PJ045895 CCCQWW C36H45N9O8S3 827.2554 NA PeJP NA NA +PJ045896 PDDDDDH C31H41N9O18 827.257 NA PeJP NA NA +PJ045897 SSCCEHY C32H45N9O13S2 827.2578 NA PeJP NA NA +PJ045898 SSCCNEW C32H45N9O13S2 827.2579 NA PeJP NA NA +PJ045899 GCCMMHF C33H49N9O8S4 827.2587 NA PeJP NA NA +PJ045900 SSSSCNDE C28H45N9O18S 827.2604 NA PeJP NA NA +PJ045901 DDDDYW C36H41N7O16 827.261 NA PeJP NA NA +PJ045902 SCNNEMM C29H49N9O13S3 827.2612 NA PeJP NA NA +PJ045903 CCNYYY C37H45N7O11S2 827.2619 NA PeJP NA NA +PJ045904 SPCDDEY C33H45N7O16S 827.2644 NA PeJP NA NA +PJ045905 DDMMMW C34H49N7O11S3 827.2652 NA PeJP NA NA +PJ045906 SSDEEMM C30H49N7O16S2 827.2678 NA PeJP NA NA +PJ045907 SPCEMMM C31H53N7O11S4 827.2686 NA PeJP NA NA +PJ045908 CCNNNNF C31H45N11O12S2 827.2691 NA PeJP NA NA +PJ045909 SCCNDMR C28H49N11O12S3 827.2725 NA PeJP NA NA +PJ045910 GSSCCWW C36H45N9O10S2 827.2731 NA PeJP NA NA +PJ045911 GSSSSCDW C32H45N9O15S 827.2756 NA PeJP NA NA +PJ045912 GSCNMMW C33H49N9O10S3 827.2765 NA PeJP NA NA +PJ045913 GSSSSSSDD C28H45N9O20 827.2781 NA PeJP NA NA +PJ045914 GSSSNDMM C29H49N9O15S2 827.279 NA PeJP NA NA +PJ045915 DDDMFW C37H45N7O13S 827.2796 NA PeJP NA NA +PJ045916 GCQQMMM C30H53N9O10S4 827.2798 NA PeJP NA NA +PJ045917 GNNMMMM C30H53N9O10S4 827.2799 NA PeJP NA NA +PJ045918 SCCNQHH C30H45N13O11S2 827.2803 NA PeJP NA NA +PJ045919 GSDEEEY C33H45N7O18 827.2821 NA PeJP NA NA +PJ045920 GPDDMMY C34H49N7O13S2 827.283 NA PeJP NA NA +PJ045921 PPCCMMF C35H53N7O8S4 827.2839 NA PeJP NA NA +PJ045922 CDMHHW C35H45N11O9S2 827.2844 NA PeJP NA NA +PJ045923 GTEEMMM C31H53N7O13S3 827.2864 NA PeJP NA NA +PJ045924 SCNNNNY C31H45N11O14S 827.2868 NA PeJP NA NA +PJ045925 GGGGSCNNY C31H45N11O14S 827.2869 NA PeJP NA NA +PJ045926 GPMMMMM C32H57N7O8S5 827.2873 NA PeJP NA NA +PJ045927 GTCCCRW C32H49N11O9S3 827.2877 NA PeJP NA NA +PJ045928 GSSSCCER C28H49N11O14S2 827.2902 NA PeJP NA NA +PJ045929 CNNEYW C36H45N9O12S 827.2909 NA PeJP NA NA +PJ045930 GCCQMMR C29H53N11O9S4 827.2911 NA PeJP NA NA +PJ045931 CCCKWW C37H49N9O7S3 827.2917 NA PeJP NA NA +PJ045932 SSNNDEY C32H45N9O17 827.2934 NA PeJP NA NA +PJ045933 SSSCQMW C33H49N9O12S2 827.2942 NA PeJP NA NA +PJ045934 GGGGSPCMY C33H49N9O12S2 827.2943 NA PeJP NA NA +PJ045935 SSSSSNEM C29H49N9O17S 827.2967 NA PeJP NA NA +PJ045936 SDEEYW C37H45N7O15 827.2974 NA PeJP NA NA +PJ045937 SSNQMMM C30H53N9O12S3 827.2976 NA PeJP NA NA +PJ045938 GSSSCNHH C30H45N13O13S 827.2981 NA PeJP NA NA +PJ045939 PCEMYW C38H49N7O10S2 827.2983 NA PeJP NA NA +PJ045940 QEEEMY C34H49N7O15S 827.3008 NA PeJP NA NA +PJ045941 TEMMMW C35H53N7O10S3 827.3016 NA PeJP NA NA +PJ045942 GPCNDHW C35H45N11O11S 827.3021 NA PeJP NA NA +PJ045943 GCCCMRR C28H53N13O8S4 827.3023 NA PeJP NA NA +PJ045944 STTEEMM C31H53N7O15S2 827.3041 NA PeJP NA NA +PJ045945 GNNEEEH C31H45N11O16 827.3046 NA PeJP NA NA +PJ045946 GVEMMMM C32H57N7O10S4 827.305 NA PeJP NA NA +PJ045947 SSSCCRW C32H49N11O11S2 827.3055 NA PeJP NA NA +PJ045948 GCNYWW C40H45N9O9S 827.3061 NA PeJP NA NA +PJ045949 SSSSSCDR C28H49N11O16S 827.308 NA PeJP NA NA +PJ045950 GSSNDYW C36H45N9O14 827.3086 NA PeJP NA NA +PJ045951 GGGGGDDFF C36H45N9O14 827.3087 NA PeJP NA NA +PJ045952 SSCNMMR C29H53N11O11S3 827.3088 NA PeJP NA NA +PJ045953 GGSSCMMR C29H53N11O11S3 827.3089 NA PeJP NA NA +PJ045954 CNQMFW C37H49N9O9S2 827.3095 NA PeJP NA NA +PJ045955 GSSSSSMW C33H49N9O14S 827.312 NA PeJP NA NA +PJ045956 GTCCKMW C34H53N9O9S3 827.3129 NA PeJP NA NA +PJ045957 GCNNHHF C34H45N13O10S 827.3133 NA PeJP NA NA +PJ045958 GGGCNHHF C34H45N13O10S 827.3134 NA PeJP NA NA +PJ045959 GSSSSSSTE C29H49N9O19 827.3145 NA PeJP NA NA +PJ045960 GSSSTQMM C30H53N9O14S2 827.3154 NA PeJP NA NA +PJ045961 SNNNNEH C30H45N13O15 827.3158 NA PeJP NA NA +PJ045962 GNDDDHR C30H45N13O15 827.3159 NA PeJP NA NA +PJ045963 AEEMYW C38H49N7O12S 827.316 NA PeJP NA NA +PJ045964 EMMMMR C31H57N9O9S4 827.3162 NA PeJP NA NA +PJ045965 GGACKMMM C31H57N9O9S4 827.3163 NA PeJP NA NA +PJ045966 SCCNKHH C31H49N13O10S2 827.3167 NA PeJP NA NA +PJ045967 GTTEEEY C34H49N7O17 827.3185 NA PeJP NA NA +PJ045968 GPTEMMY C35H53N7O12S2 827.3194 NA PeJP NA NA +PJ045969 NNEEHW C35H45N11O13 827.3199 NA PeJP NA NA +PJ045970 STCCCRR C28H53N13O10S3 827.3201 NA PeJP NA NA +PJ045971 VMMMMW C36H57N7O7S4 827.3203 NA PeJP NA NA +PJ045972 CCNFRW C36H49N11O8S2 827.3207 NA PeJP NA NA +PJ045973 SSLEMMM C32H57N7O12S3 827.3228 NA PeJP NA NA +PJ045974 GSCNERY C32H49N11O13S 827.3232 NA PeJP NA NA +PJ045975 GGGGSPEMH C32H49N11O13S 827.3233 NA PeJP NA NA +PJ045976 AAMMMHH C33H53N11O8S3 827.3241 NA PeJP NA NA +PJ045977 GTCHHHH C33H45N15O9S 827.3246 NA PeJP NA NA +PJ045978 GSSSTCMR C29H53N11O13S2 827.3266 NA PeJP NA NA +PJ045979 SNQMYW C37H49N9O11S 827.3272 NA PeJP NA NA +PJ045980 GGSQMYW C37H49N9O11S 827.3273 NA PeJP NA NA +PJ045981 GCCKMMR C30H57N11O8S4 827.3275 NA PeJP NA NA +PJ045982 SSSSSSTW C33H49N9O16 827.3297 NA PeJP NA NA +PJ045983 GGSSTQEY C33H49N9O16 827.3298 NA PeJP NA NA +PJ045984 SSSCKMW C34H53N9O11S2 827.3306 NA PeJP NA NA +PJ045985 GSNNNHW C34H45N13O12 827.3311 NA PeJP NA NA +PJ045986 PPCYYW C42H49N7O9S 827.3313 NA PeJP NA NA +PJ045987 SSSSSDKM C30H53N9O16S 827.3331 NA PeJP NA NA +PJ045988 TTEEYW C38H49N7O14 827.3338 NA PeJP NA NA +PJ045989 SSNKMMM C31H57N9O11S3 827.334 NA PeJP NA NA +PJ045990 SPCNDHR C31H49N13O12S 827.3345 NA PeJP NA NA +PJ045991 PTMMYW C39H53N7O9S2 827.3346 NA PeJP NA NA +PJ045992 VDMMFW C39H53N7O9S2 827.3347 NA PeJP NA NA +PJ045993 GNEHWW C39H45N11O10 827.3351 NA PeJP NA NA +MJ095654 Aclacinomycin A; 9-Hydroxy C42H53NO16 827.336434 NA MeJP NA NA +MJ095655 Aclacinomycin G2 C42H53NO16 827.336434 NA MeJP NA NA +MJ095656 Cinerubin A C42H53NO16 827.336434 NA MeJP NA NA +MJ095657 Epelmycin A; 3B?-Hydroxy C42H53NO16 827.336434 NA MeJP NA NA +MJ095658 Streptovaricin; Streptovaricin A C42H53NO16 827.336434 NA MeJP NA NA +MJ095659 Streptovaricin; Streptovaricin G, 17-Ac C42H53NO16 827.336434 NA MeJP NA NA +PJ045994 KEEEMY C35H53N7O14S 827.3371 NA PeJP NA NA +PJ045995 VVTCDEY C35H53N7O14S 827.3372 NA PeJP NA NA +PJ045996 GPVMMMY C36H57N7O9S3 827.338 NA PeJP NA NA +PJ045997 SCNRYW C36H49N11O10S 827.3385 NA PeJP NA NA +PJ045998 SSSNDRY C32H49N11O15 827.341 NA PeJP NA NA +PJ045999 ATLMMMM C33H61N7O9S4 827.3414 NA PeJP NA NA +PJ046000 NNMMRY C33H53N11O10S2 827.3419 NA PeJP NA NA +PJ046001 SSSHHHH C33H45N15O11 827.3423 NA PeJP NA NA +PJ046002 CQHFFF C41H49N9O8S 827.3425 NA PeJP NA NA +PJ046003 SSSSSSMR C29H53N11O15S 827.3444 NA PeJP NA NA +PJ046004 GSSTQYW C37H49N9O13 827.345 NA PeJP NA NA +PJ046005 STCCKMR C30H57N11O10S3 827.3452 NA PeJP NA NA +PJ046006 GCNNQHR C30H49N15O11S 827.3457 NA PeJP NA NA +PJ046007 CNKMFW C38H53N9O8S2 827.3459 NA PeJP NA NA +PJ046008 PDHHHW C38H45N13O9 827.3464 NA PeJP NA NA +PJ046009 TEEMRY C34H53N9O13S 827.3484 NA PeJP NA NA +PJ046010 APEYYW C42H49N7O11 827.349 NA PeJP NA NA +PJ046011 PMMMRY C35H57N9O8S3 827.3493 NA PeJP NA NA +PJ046012 CEHHFR C35H49N13O9S 827.3497 NA PeJP NA NA +PJ046013 NHWWW C43H45N11O7 827.3504 NA PeJP NA NA +PJ046014 SSSSSSSSL C30H53N9O18 827.3509 NA PeJP NA NA +PJ046015 ASSSSKMM C31H57N9O13S2 827.3517 NA PeJP NA NA +PJ046016 GSSSTKMM C31H57N9O13S2 827.3518 NA PeJP NA NA +PJ046017 GSNEEHR C31H49N13O14 827.3522 NA PeJP NA NA +PJ046018 GGGGGGSDKH C31H49N13O14 827.3523 NA PeJP NA NA +PJ046019 SLEMYW C39H53N7O11S 827.3524 NA PeJP NA NA +PJ046020 GCKKMMM C32H61N9O8S4 827.3526 NA PeJP NA NA +MJ095660 Foetidine I C47H49N5O9 827.353028 NA MeJP NA NA +PJ046021 CCQRRY C32H53N13O9S2 827.3531 NA PeJP NA NA +PJ046022 AMHHFW C40H49N11O7S 827.3538 NA PeJP NA NA +PJ046023 SSTLEEY C35H53N7O16 827.3549 NA PeJP NA NA +PJ046024 AALEMMY C36H57N7O11S2 827.3558 NA PeJP NA NA +PJ046025 TQQEHW C36H49N11O12 827.3562 NA PeJP NA NA +PJ046026 NDKEHW C36H49N11O12 827.3563 NA PeJP NA NA +PJ046027 NHHHHF C37H45N15O8 827.3576 NA PeJP NA NA +PJ046028 TTTLMMM C33H61N7O11S3 827.3591 NA PeJP NA NA +PJ046029 GSSQMRY C33H53N11O12S 827.3596 NA PeJP NA NA +PJ046030 GGGGGGAAPPM C33H53N11O12S 827.3597 NA PeJP NA NA +PJ046031 PPNEWW C41H49N9O10 827.3603 NA PeJP NA NA +PJ046032 SSNNNHR C30H49N15O13 827.3634 NA PeJP NA NA +PJ046033 GGSSNNHR C30H49N15O13 827.3635 NA PeJP NA NA +PJ046034 SNKMYW C38H53N9O10S 827.3636 NA PeJP NA NA +PJ046035 GGSPPPMW C38H53N9O10S 827.3637 NA PeJP NA NA +PJ046036 GPCCHRR C31H53N15O8S2 827.3643 NA PeJP NA NA +PJ046037 SSSQKEY C34H53N9O15 827.3661 NA PeJP NA NA +PJ046038 VVTDEEH C34H53N9O15 827.3662 NA PeJP NA NA +PJ046039 VEMMRY C35H57N9O10S2 827.367 NA PeJP NA NA +PJ046040 SNEHRW C35H49N13O11 827.3675 NA PeJP NA NA +PJ046041 PCLFYW C43H53N7O8S 827.3677 NA PeJP NA NA +PJ046042 SSSSTTKM C31H57N9O15S 827.3695 NA PeJP NA NA +PJ046043 PKEEYY C39H53N7O13 827.3702 NA PeJP NA NA +PJ046044 STCKKMM C32H61N9O10S3 827.3704 NA PeJP NA NA +PJ046045 SSPNMHR C32H53N13O11S 827.3708 NA PeJP NA NA +PJ046046 GSSCRRY C32H53N13O11S 827.3709 NA PeJP NA NA +PJ046047 VVMMYW C40H57N7O8S2 827.371 NA PeJP NA NA +PJ046048 GDKHWW C40H49N11O9 827.3715 NA PeJP NA NA +MJ095661 4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 11-O-(3S-Dimethylamino-2R-hydroxy-3-phenylpropanoyl), hexa-Ac C43H57NO15 827.37282 NA MeJP NA NA +MJ095662 Aclacinomycin M; 13-Methyl C43H57NO15 827.37282 NA MeJP NA NA +PJ046049 ATTLEMY C36H57N7O13S 827.3735 NA PeJP NA NA +PJ046050 GVLMMMF C37H61N7O8S3 827.3744 NA PeJP NA NA +PJ046051 VQQMHW C37H53N11O9S 827.3749 NA PeJP NA NA +PJ046052 GPPWWW C45H49N9O7 827.3755 NA PeJP NA NA +PJ046053 SSSTQRY C33H53N11O14 827.3774 NA PeJP NA NA +PJ046054 CQKMRY C34H57N11O9S2 827.3782 NA PeJP NA NA +PJ046055 GACKMRY C34H57N11O9S2 827.3783 NA PeJP NA NA +PJ046056 AAQQHHH C34H49N15O10 827.3787 NA PeJP NA NA +PJ046057 CKHFFF C42H53N9O7S 827.3789 NA PeJP NA NA +PJ046058 GSSTKYW C38H53N9O12 827.3814 NA PeJP NA NA +PJ046059 NDMHRR C31H53N15O10S 827.3821 NA PeJP NA NA +PJ046060 PMMFFR C39H57N9O7S2 827.3823 NA PeJP NA NA +PJ046061 GSHRWW C39H49N13O8 827.3827 NA PeJP NA NA +PJ046062 GPPHHHF C39H49N13O8 827.3828 NA PeJP NA NA +PJ046063 GSDKKMY C35H57N9O12S 827.3848 NA PeJP NA NA +PJ046064 SPLYYW C43H53N7O10 827.3854 NA PeJP NA NA +PJ046065 LMMMFR C36H61N9O7S3 827.3856 NA PeJP NA NA +PJ046066 AQMHRW C36H53N13O8S 827.3861 NA PeJP NA NA +PJ046067 GSDKEHR C32H53N13O13 827.3886 NA PeJP NA NA +PJ046068 GGGGGGGGGAPK C32H53N13O13 827.3887 NA PeJP NA NA +PJ046069 AAPLMYY C40H57N7O10S 827.3888 NA PeJP NA NA +PJ046070 CCKRRY C33H57N13O8S2 827.3895 NA PeJP NA NA +PJ046071 NQHHHR C33H49N17O9 827.39 NA PeJP NA NA +PJ046072 TTTTLEY C36H57N7O15 827.3913 NA PeJP NA NA +PJ046073 GTLLMMY C37H61N7O10S2 827.3922 NA PeJP NA NA +PJ046074 GSPPERW C37H53N11O11 827.3926 NA PeJP NA NA +PJ046075 GGGGGPLQW C37H53N11O11 827.3927 NA PeJP NA NA +PJ046076 GSSKMRY C34H57N11O11S 827.396 NA PeJP NA NA +PJ046077 ANKFYW C42H53N9O9 827.3966 NA PeJP NA NA +PJ046078 PPDKWW C42H53N9O9 827.3967 NA PeJP NA NA +PJ046079 ACHRRW C35H53N15O7S 827.3974 NA PeJP NA NA +PJ046080 ASSDHRR C31H53N15O12 827.3998 NA PeJP NA NA +PJ046081 GSSEHRR C31H53N15O12 827.3999 NA PeJP NA NA +PJ046082 TCKKYW C39H57N9O9S 827.4 NA PeJP NA NA +PJ046083 SSSKKEY C35H57N9O14 827.4025 NA PeJP NA NA +PJ046084 GGGGPLLEE C35H57N9O14 827.4026 NA PeJP NA NA +PJ046085 QKKMMY C36H61N9O9S2 827.4034 NA PeJP NA NA +PJ046086 SDKHRW C36H53N13O10 827.4039 NA PeJP NA NA +PJ046087 VVMFFW C44H57N7O7S 827.4041 NA PeJP NA NA +PJ046088 LLQEYY C40H57N7O12 827.4065 NA PeJP NA NA +PJ046089 GSLLEFY C40H57N7O12 827.4066 NA PeJP NA NA +PJ046090 APPCERR C33H57N13O10S 827.4072 NA PeJP NA NA +PJ046091 GPPDMRR C33H57N13O10S 827.4073 NA PeJP NA NA +PJ046092 SPPRWW C41H53N11O8 827.4079 NA PeJP NA NA +PJ046093 STTLLMY C37H61N7O12S 827.4099 NA PeJP NA NA +PJ046094 AAPPMRW C38H57N11O8S 827.4113 NA PeJP NA NA +PJ046095 SSSTKRY C34H57N11O13 827.4137 NA PeJP NA NA +MJ095663 Albuminamide C34H57N11O13 827.41373 NA MeJP NA NA +PJ046096 GPLQEER C34H57N11O13 827.4138 NA PeJP NA NA +PJ046097 CKKMRY C35H61N11O8S2 827.4146 NA PeJP NA NA +PJ046098 SSHRRW C35H53N15O9 827.4151 NA PeJP NA NA +PJ046099 APPTKEW C39H57N9O11 827.4178 NA PeJP NA NA +PJ046100 TQMHRR C32H57N15O9S 827.4185 NA PeJP NA NA +PJ046101 VLHHHW C40H53N13O7 827.4191 NA PeJP NA NA +PJ046102 ASTKKMY C36H61N9O11S 827.4211 NA PeJP NA NA +PJ046103 GTTKKMY C36H61N9O11S 827.4212 NA PeJP NA NA +PJ046104 ALLYYW C44H57N7O9 827.4218 NA PeJP NA NA +PJ046105 AKMHRW C37H57N13O7S 827.4225 NA PeJP NA NA +PJ046106 AAPEERR C33H57N13O12 827.425 NA PeJP NA NA +PJ046107 AALLMFY C41H61N7O9S 827.4252 NA PeJP NA NA +PJ046108 NKHHHR C34H53N17O8 827.4263 NA PeJP NA NA +PJ046109 GGKHHHR C34H53N17O8 827.4264 NA PeJP NA NA +PJ046110 PVLLEEE C37H61N7O14 827.4277 NA PeJP NA NA +PJ046111 PLQERW C38H57N11O10 827.429 NA PeJP NA NA +PJ046112 TCHRRR C31H57N17O8S 827.4297 NA PeJP NA NA +MJ095664 Deltamycin A3 C41H65NO16 827.430335 NA MeJP NA NA +PJ046113 APPKEMR C35H61N11O10S 827.4324 NA PeJP NA NA +PJ046114 PVLQWW C43H57N9O8 827.433 NA PeJP NA NA +PJ046115 GGPLLWW C43H57N9O8 827.4331 NA PeJP NA NA +PJ046116 PDERRR C32H57N15O11 827.4362 NA PeJP NA NA +PJ046117 GGGGAPTRR C32H57N15O11 827.4363 NA PeJP NA NA +PJ046118 GPPLKMW C40H61N9O8S 827.4364 NA PeJP NA NA +PJ046119 STTTKKY C36H61N9O13 827.4389 NA PeJP NA NA +PJ046120 KKKMMY C37H65N9O8S2 827.4398 NA PeJP NA NA +PJ046121 PVDRRW C37H57N13O9 827.4403 NA PeJP NA NA +PJ046122 LLKEYY C41H61N7O11 827.4429 NA PeJP NA NA +PJ046123 APPTMRR C34H61N13O9S 827.4436 NA PeJP NA NA +PJ046124 APLRWW C42H57N11O7 827.4443 NA PeJP NA NA +PJ046125 CKKFFR C39H61N11O7S 827.4476 NA PeJP NA NA +PJ046126 VKKMHW C39H61N11O7S 827.4477 NA PeJP NA NA +MJ095665 Spiroprorocentrimine C42H69NO13S 827.448961 NA MeJP NA NA +PJ046127 PPTTKER C35H61N11O12 827.4501 NA PeJP NA NA +PJ046128 GPLKEER C35H61N11O12 827.4502 NA PeJP NA NA +MJ095666 Tubulysin A; 4'-Deoxy C43H65N5O9S 827.450299 NA MeJP NA NA +C15704 Tubulysin D C43H65N5O9S 827.4503 NA KEGG NA NA +PJ046129 VNHFRR C36H57N15O8 827.4515 NA PeJP NA NA +PJ046130 GPVLKEW C40H61N9O10 827.4542 NA PeJP NA NA +PJ046131 TKMHRR C33H61N15O8S 827.4549 NA PeJP NA NA +PJ046132 TTLLLMH C37H65N9O10S 827.4575 NA PeJP NA NA +PJ046133 PPVKKEM C37H65N9O10S 827.4576 NA PeJP NA NA +MJ095667 Phakellistatin 1 C45H61N7O8 827.458161 NA MeJP NA NA +MJ095668 Phakellistatin 2 C45H61N7O8 827.458161 NA MeJP NA NA +PJ046134 AALLFFF C45H61N7O8 827.4582 NA PeJP NA NA +PJ046135 GPTLERR C34H61N13O11 827.4614 NA PeJP NA NA +PJ046136 GHFRRR C35H57N17O7 827.4627 NA PeJP NA NA +PJ046137 PLKERW C39H61N11O9 827.4654 NA PeJP NA NA +C12662 Leucomycin A3 C42H69NO15 827.4667 NA KEGG NA NA +C12663 Transferred to D01236 C42H69NO15 827.4667 NA KEGG NA NA +C12664 Transferred to D01237 C42H69NO15 827.4667 NA KEGG NA NA +C12665 Transferred to D01238 C42H69NO15 827.4667 NA KEGG NA NA +MJ095669 Espinomycin A2 C42H69NO15 827.46672 NA MeJP NA NA +MJ095670 Leucomycin A3 C42H69NO15 827.46672 NA MeJP NA NA +MJ095671 Leucomycin A5; 3B-Propanoyl C42H69NO15 827.46672 NA MeJP NA NA +MJ095672 Midecamycin A2 C42H69NO15 827.46672 NA MeJP NA NA +PJ046138 SPPLKMR C36H65N11O9S 827.4688 NA PeJP NA NA +PJ046139 PVLKWW C44H61N9O7 827.4694 NA PeJP NA NA +PJ046140 GSPQKRR C33H61N15O10 827.4726 NA PeJP NA NA +PJ046141 KKKMFF C41H65N9O7S 827.4728 NA PeJP NA NA +PJ046142 PVVKKEE C37H65N9O12 827.4753 NA PeJP NA NA +PJ046143 PTLRRW C38H61N13O8 827.4766 NA PeJP NA NA +PJ046144 GPPVFRR C38H61N13O8 827.4767 NA PeJP NA NA +PJ046145 PPLLLEF C42H65N7O10 827.4793 NA PeJP NA NA +PJ046146 GPVLMRR C35H65N13O8S 827.48 NA PeJP NA NA +PJ046147 PLLLLEM C39H69N7O10S 827.4827 NA PeJP NA NA +PJ046148 VNQRRR C32H61N17O9 827.4839 NA PeJP NA NA +PJ046149 SPVLKER C36H65N11O11 827.4865 NA PeJP NA NA +PJ046150 GGALLLER C36H65N11O11 827.4866 NA PeJP NA NA +PJ046151 PPFRRR C37H61N15O7 827.4879 NA PeJP NA NA +PJ046152 APTLLKW C41H65N9O9 827.4906 NA PeJP NA NA +PJ046153 PLMRRR C34H65N15O7S 827.4913 NA PeJP NA NA +PJ046154 PVLLQKM C38H69N9O9S 827.4939 NA PeJP NA NA +PJ046155 GQRRRR C31H61N19O8 827.4951 NA PeJP NA NA +PJ046156 AALLERR C35H65N13O10 827.4978 NA PeJP NA NA +PJ046157 VLLLLEE C39H69N7O12 827.5005 NA PeJP NA NA +PJ046158 LLLQRW C40H65N11O8 827.5018 NA PeJP NA NA +C12216 Mycobactin S C44H69N5O10 827.5044 NA KEGG NA NA +MJ095673 Mycobactin; Mycobactin S C44H69N5O10 827.504443 NA MeJP NA NA +PJ046159 APLLKMR C37H69N11O8S 827.5052 NA PeJP NA NA +PJ046160 VLERRR C34H65N15O9 827.509 NA PeJP NA NA +PJ046161 PTLLKKE C38H69N9O11 827.5117 NA PeJP NA NA +PJ046162 VVLRRW C39H65N13O7 827.513 NA PeJP NA NA +PJ046163 PPLLLLY C43H69N7O9 827.5157 NA PeJP NA NA +PJ046164 VNKRRR C33H65N17O8 827.5202 NA PeJP NA NA +PJ046165 GGVKRRR C33H65N17O8 827.5203 NA PeJP NA NA +PJ046166 GLLLKER C37H69N11O10 827.5229 NA PeJP NA NA +PJ046167 GVLLLKW C42H69N9O8 827.5269 NA PeJP NA NA +PJ046168 PVLLKKM C39H73N9O8S 827.5303 NA PeJP NA NA +PJ046169 GKRRRR C32H65N19O7 827.5315 NA PeJP NA NA +PJ046170 GTLLLRR C36H69N13O9 827.5342 NA PeJP NA NA +MJ095674 Apramide G C44H73N7O6S 827.534303 NA MeJP NA NA +PJ046171 LLLKRW C41H69N11O7 827.5382 NA PeJP NA NA +EUR1005 PC 38:6 [M+Na]+ C46H80NO8P 827.544103 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1005 PC 38:6 [M+Na]+ C46H80NO8P 827.544103 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1005 PC 38:6 [M+Na]+ C46H80NO8P 827.544103 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1005 PC 38:6 [M+Na]+ C46H80NO8P 827.544103 masses lipides attendues Inhousejuil11 NA NA +PJ046172 LQKKRR C35H69N15O8 827.5454 NA PeJP NA NA +HMDB08189 PC(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H78NO8P 827.546509 NA HMDB2010 NA NA +HMDB08222 PC(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H78NO8P 827.546509 NA HMDB2010 NA NA +HMDB08253 PC(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C48H78NO8P 827.546509 NA HMDB2010 NA NA +HMDB08254 PC(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C48H78NO8P 827.546509 NA HMDB2010 NA NA +HMDB08445 PC(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C48H78NO8P 827.546509 NA HMDB2010 NA NA +HMDB08478 PC(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C48H78NO8P 827.546509 NA HMDB2010 NA NA +HMDB08509 PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) C48H78NO8P 827.546509 NA HMDB2010 NA NA +HMDB08510 PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C48H78NO8P 827.546509 NA HMDB2010 NA NA +HMDB08667 PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C48H78NO8P 827.546509 NA HMDB2010 NA NA +HMDB08700 PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) C48H78NO8P 827.546509 NA HMDB2010 NA NA +HMDB08731 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) C48H78NO8P 827.546509 NA HMDB2010 NA NA +HMDB08732 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C48H78NO8P 827.546509 NA HMDB2010 NA NA +PJ046173 VVLLKKE C39H73N9O10 827.5481 NA PeJP NA NA +PJ046174 PLLLLLF C44H73N7O8 827.5521 NA PeJP NA NA +PJ046175 LLLLLLM C41H77N7O8S 827.5555 NA PeJP NA NA +PJ046176 SVLLLKR C38H73N11O9 827.5593 NA PeJP NA NA +EUR692 PC(36:4) [M+FA-H]- C44H80NO8P 827.567037 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR977 PC 36:4 [M+FA-H]- C44H80NO8P 827.567037 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR692 PC(36:4) [M+FA-H]- C44H80NO8P 827.567037 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR977 PC 36:4 [M+FA-H]- C44H80NO8P 827.567037 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR692 PC(36:4) [M+FA-H]- C44H80NO8P 827.567037 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR977 PC 36:4 [M+FA-H]- C44H80NO8P 827.567037 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR692 PC(36:4) [M+FA-H]- C44H80NO8P 827.567037 masses lipides attendues Inhousejuil11 NA NA +EUR977 PC 36:4 [M+FA-H]- C44H80NO8P 827.567037 masses lipides attendues Inhousejuil11 NA NA +PJ046177 GVLKKKR C37H73N13O8 827.5705 NA PeJP NA NA +PJ046178 LKKKRR C36H73N15O7 827.5818 NA PeJP NA NA +PJ046179 TLLLLKK C40H77N9O9 827.5845 NA PeJP NA NA +PJ046180 ALLKKKK C39H77N11O8 827.5957 NA PeJP NA NA +HMDB09047 PE(18:1(11Z)/24:1(15Z)) C47H90NO8P 827.640381 NA HMDB2010 NA NA +HMDB09080 PE(18:1(9Z)/24:1(15Z)) C47H90NO8P 827.640381 NA HMDB2010 NA NA +HMDB09112 PE(18:2(9Z,12Z)/24:0) C47H90NO8P 827.640381 NA HMDB2010 NA NA +HMDB09239 PE(20:0/22:2(13Z,16Z)) C47H90NO8P 827.640381 NA HMDB2010 NA NA +HMDB09271 PE(20:1(11Z)/22:1(13Z)) C47H90NO8P 827.640381 NA HMDB2010 NA NA +HMDB09303 PE(20:2(11Z,14Z)/22:0) C47H90NO8P 827.640381 NA HMDB2010 NA NA +HMDB09495 PE(22:0/20:2(11Z,14Z)) C47H90NO8P 827.640381 NA HMDB2010 NA NA +HMDB09527 PE(22:1(13Z)/20:1(11Z)) C47H90NO8P 827.640381 NA HMDB2010 NA NA +HMDB09559 PE(22:2(13Z,16Z)/20:0) C47H90NO8P 827.640381 NA HMDB2010 NA NA +HMDB09720 PE(24:0/18:2(9Z,12Z)) C47H90NO8P 827.640381 NA HMDB2010 NA NA +HMDB09751 PE(24:1(15Z)/18:1(11Z)) C47H90NO8P 827.640381 NA HMDB2010 NA NA +HMDB09752 PE(24:1(15Z)/18:1(9Z)) C47H90NO8P 827.640381 NA HMDB2010 NA NA +HMDB08556 PC(22:0/P-18:1(11Z)) C48H94NO7P 827.676819 NA HMDB2010 NA NA +HMDB08557 PC(22:0/P-18:1(9Z)) C48H94NO7P 827.676819 NA HMDB2010 NA NA +HMDB08587 PC(22:1(13Z)/P-18:0) C48H94NO7P 827.676819 NA HMDB2010 NA NA +HMDB08817 PC(24:1(15Z)/P-16:0) C48H94NO7P 827.676819 NA HMDB2010 NA NA +HMDB11231 PC(P-16:0/24:1(15Z)) C48H94NO7P 827.676819 NA HMDB2010 NA NA +HMDB11257 PC(P-18:0/22:1(13Z)) C48H94NO7P 827.676819 NA HMDB2010 NA NA +HMDB11289 PC(P-18:1(11Z)/22:0) C48H94NO7P 827.676819 NA HMDB2010 NA NA +HMDB11322 PC(P-18:1(9Z)/22:0) C48H94NO7P 827.676819 NA HMDB2010 NA NA +HMDB13437 PC(o-18:2(9Z,12Z)/22:0) C48H94NO7P 827.676819 NA HMDB2010 NA NA +MJ095675 N-2-Hydroxytetracosanoylgalactocerebroside C48H93NO9 827.685033 NA MeJP NA NA +HMDB11699 SM(d19:1/24:1(15Z)) C48H96N2O6P 827.700623 NA HMDB2010 NA NA +MJ095676 Aerothionin; 2''-Oxo C24H24Br4N4O9 827.827678 NA MeJP NA NA +MJ095677 Aerothionin; Homologue C25H28Br4N4O8 827.864064 NA MeJP NA NA +7049 Arginine deiminase (Streptococcus pyogenes) TAQTPIHVYSEIGKL 827.9355 MH2+ Inhouse_peptide NA peptide +5419 porcine lactoferrin LFP SKCRQWSKIRRTNP 827.9589 MH2+ Inhouse_peptide NA peptide +MJ095678 4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-D-Glucuronopyranosyl-(??)-?-D-glucuronopyranosyl-(??)-?-D-glucuronopyranoside] C34H36O24 828.159652 NA MeJP NA NA +FL3FADGS0027 Chrysoeriol 7-(2'''-feruloylglucuronosyl)-(1->2)-glucuronide;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid C38H36O21 828.1749 380468-53-1 knapsack NA NA +FL3FAIGS0013 Tricin 7-(2''-p-coumaroylglucuronosyl)(1->2)glucronide C38H36O21 828.1749 - knapsack NA NA +PJ046181 GTCCCCCH C27H44N10O10S5 828.1846 NA PeJP NA NA +PJ046182 GSCCDDDD C27H40N8O18S2 828.1902 NA PeJP NA NA +PJ046183 GPCCCCDE C28H44N8O13S4 828.1911 NA PeJP NA NA +FL3FACGS0070 Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside;7-[[O-D-apio-beta-D-furanosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->4)]-6-O-(carboxyacetyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one C35H40O23 828.19603 612844-31-2 knapsack NA NA +MJ095679 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside], 7-O-?-D-glucopyranoside C35H41O23(+) 828.196037 NA MeJP NA NA +PJ046184 SSSCCCCH C27H44N10O12S4 828.2023 NA PeJP NA NA +PJ046185 PCCCCDW C32H44N8O10S4 828.2064 NA PeJP NA NA +PJ046186 CCNDDEM C28H44N8O15S3 828.2089 NA PeJP NA NA +PJ046187 PPTCCCCC C29H48N8O10S5 828.2097 NA PeJP NA NA +MetaCyc04156 uroporphyrin III [] C40H36N4O16 828.212631 18273-06-8 metacyc NA NA +MetaCyc04157 uroporphyrin I [2,7,12,17-porphinetetrapropionic acid;] C40H36N4O16 828.212631 607-14-7 metacyc NA NA +PJ046188 CCCCNHF C31H44N10O9S4 828.2176 NA PeJP NA NA +PJ046189 CCCDDDR C27H44N10O14S3 828.2201 NA PeJP NA NA +PJ046190 GCCDDMW C32H44N8O12S3 828.2241 NA PeJP NA NA +PJ046191 GSSCDDDM C28H44N8O17S2 828.2266 NA PeJP NA NA +PJ046192 GSPCCCEM C29H48N8O12S4 828.2275 NA PeJP NA NA +MJ095680 Aurantoside C C37H46Cl2N2O15 828.227524 NA MeJP NA NA +MJ095681 Aurantoside E; O-De-Me C37H46Cl2N2O15 828.227524 NA MeJP NA NA +FL5FADGS0032 Isorhamnetin 3-[2''-(4'''-acetylrhamnosyl)-gentiobioside];Quercetin 3'-methyl ether 3-[2''-(4'''-acetylrhamnosyl)-gentiobioside];3-[(O-4-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C36H44O22 828.23242 220716-16-5 knapsack NA NA +MJ095682 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-(4-O-Acetyl-?-L-rhamnopyranosyl), 6''-O-?-D-glucopyranosyl C36H44O22 828.232423 NA MeJP NA NA +PJ046193 SCCCNNW C31H44N10O11S3 828.2353 NA PeJP NA NA +PJ046194 GGSCCCNW C31H44N10O11S3 828.2354 NA PeJP NA NA +PJ046195 SSSCCNND C27H44N10O16S2 828.2378 NA PeJP NA NA +PJ046196 GGSSSCCND C27H44N10O16S2 828.2379 NA PeJP NA NA +PJ046197 CCNNNMM C28H48N10O11S4 828.2387 NA PeJP NA NA +PJ046198 CCCEWW C36H44N8O9S3 828.2394 NA PeJP NA NA +PJ046199 SSCCDEW C32H44N8O14S2 828.2419 NA PeJP NA NA +PJ046200 SPCCCMW C33H48N8O9S4 828.2427 NA PeJP NA NA +PJ046201 GPPCCCCF C33H48N8O9S4 828.2428 NA PeJP NA NA +PJ046202 SSSSCDDE C28H44N8O19S 828.2444 NA PeJP NA NA +PJ046203 SCNDEMM C29H48N8O14S3 828.2452 NA PeJP NA NA +PJ046204 GGSCDEMM C29H48N8O14S3 828.2453 NA PeJP NA NA +PJ046205 CCDYYY C37H44N6O12S2 828.2459 NA PeJP NA NA +PJ046206 PCCNMMM C30H52N8O9S5 828.2461 NA PeJP NA NA +PJ046207 CCCCNQR C27H48N12O10S4 828.25 NA PeJP NA NA +PJ046208 CCNNNDF C31H44N10O13S2 828.2531 NA PeJP NA NA +PJ046209 SCCDDMR C28H48N10O13S3 828.2565 NA PeJP NA NA +PJ046210 GNDDDMY C32H44N8O16S 828.2596 NA PeJP NA NA +PJ046211 GSCDMMW C33H48N8O11S3 828.2605 NA PeJP NA NA +PJ046212 GSSSDDMM C29H48N8O16S2 828.263 NA PeJP NA NA +PJ046213 GNDMMMM C30H52N8O11S4 828.2639 NA PeJP NA NA +PJ046214 SCCNEHH C30H44N12O12S2 828.2643 NA PeJP NA NA +PJ046215 GGSCCEHH C30H44N12O12S2 828.2644 NA PeJP NA NA +PJ046216 CCMFYY C38H48N6O9S3 828.2645 NA PeJP NA NA +PJ046217 GSSCCCNR C27H48N12O12S3 828.2677 NA PeJP NA NA +MJ095683 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-2-O-acetyl-?-D-glucopyranoside] C37H48O21 828.268808 NA MeJP NA NA +MJ095684 Purpureaside C; 2-Ac C37H48O21 828.268808 NA MeJP NA NA +PJ046218 SCNNNDY C31H44N10O15S 828.2709 NA PeJP NA NA +PJ046219 SSSSCNNM C28H48N10O15S2 828.2742 NA PeJP NA NA +HMDB03255 Amylopectin C30H52O26 828.274658 NA HMDB2010 NA NA +HMDB12254 Maltopentaose C30H52O26 828.274658 NA HMDB2010 NA NA +HMDB03255 Amylopectin C30H52O26 828.27466 http://www.hmdb.ca/metabolites/HMDB03255 HMDB NA NA +HMDB03255 Amylopectin C30H52O26 828.27466 HMDB03255 PFEM_hmdb_metabocards_official NA NA +MJ095685 Cellopentaose C30H52O26 828.274681 NA MeJP NA NA +MJ095686 ?-D-Fructofuranosyl-(2?1)-?-D-fructofuranosyl ?-D-fructofuranosyl-(2?1)-?-D-fructofuranosyl-(2?6)-?-D-glucopyranoside C30H52O26 828.274681 NA MeJP NA NA +MJ095687 Cellopentaose C30H52O26 828.274681 NA MeJP NA NA +MJ095688 Kefirose C30H52O26 828.274681 NA MeJP NA NA +MJ095689 Maltopentaose C30H52O26 828.274681 NA MeJP NA NA +MJ095690 Melezitose; 4',4''-Di-O-?-D-glucopyranosyl C30H52O26 828.274681 NA MeJP NA NA +MJ095691 Saponarose C30H52O26 828.274681 NA MeJP NA NA +MJ095692 Verbascose C30H52O26 828.274681 NA MeJP NA NA +MetaCyc04158 maltopentaose [] C30H52O26 828.274682 NA metacyc NA NA +C00317 Amylopectin C30H52O26 828.2747 NA KEGG NA NA +C06218 Cellopentaose C30H52O26 828.2747 NA KEGG NA NA +C08252 beta-D-Fructofuranosyl C30H52O26 828.2747 NA KEGG NA NA +C08253 Fucoidan C30H52O26 828.2747 NA KEGG NA NA +PJ046220 CNDEYW C36H44N8O13S 828.2749 NA PeJP NA NA +PJ046221 GCCEMMR C29H52N10O10S4 828.2751 NA PeJP NA NA +PJ046222 TCCMWW C37H48N8O8S3 828.2758 NA PeJP NA NA +PJ046223 SSNDDEY C32H44N8O18 828.2774 NA PeJP NA NA +PJ046224 STTCCEW C33H48N8O13S2 828.2782 NA PeJP NA NA +PJ046225 SSSCEMW C33H48N8O13S2 828.2783 NA PeJP NA NA +PJ046226 CQMMMW C34H52N8O8S4 828.2791 NA PeJP NA NA +PJ046227 GSCCHHW C34H44N12O9S2 828.2796 NA PeJP NA NA +PJ046228 SSSSSDEM C29H48N8O18S 828.2807 NA PeJP NA NA +PJ046229 SSSSTDDM C29H48N8O18S 828.2808 NA PeJP NA NA +PJ046230 SSNEMMM C30H52N8O13S3 828.2816 NA PeJP NA NA +PJ046231 GSSSCDHH C30H44N12O14S 828.2821 NA PeJP NA NA +PJ046232 SCMYYY C38H48N6O11S2 828.2823 NA PeJP NA NA +PJ046233 GCNMMHH C31H48N12O9S3 828.283 NA PeJP NA NA +PJ046234 EEEEMY C34H48N6O16S 828.2848 NA PeJP NA NA +PJ046235 GPCDDHW C35H44N10O12S 828.2861 NA PeJP NA NA +PJ046236 CCCCNKR C28H52N12O9S4 828.2863 NA PeJP NA NA +PJ046237 GGCCCCKR C28H52N12O9S4 828.2864 NA PeJP NA NA +PJ046238 GNDEEEH C31H44N10O17 828.2886 NA PeJP NA NA +PJ046239 GCNNQMY C32H48N10O12S2 828.2895 NA PeJP NA NA +PJ046240 GCDYWW C40H44N8O10S 828.2901 NA PeJP NA NA +PJ046241 CCMMRW C33H52N10O7S4 828.2904 NA PeJP NA NA +PJ046242 GSSSSSSCQ C28H48N10O17S 828.292 NA PeJP NA NA +PJ046243 GSSDDYW C36H44N8O15 828.2926 NA PeJP NA NA +PJ046244 GNDDDFF C36H44N8O15 828.2927 NA PeJP NA NA +PJ046245 SSCDMMR C29H52N10O12S3 828.2929 NA PeJP NA NA +PJ046246 CNNNNNH C29H44N14O13S 828.2933 NA PeJP NA NA +PJ046247 GGGGGGCNNH C29H44N14O13S 828.2934 NA PeJP NA NA +PJ046248 GPTCCYW C37H48N8O10S2 828.2935 NA PeJP NA NA +PJ046249 ACCCHHR C30H48N14O8S3 828.2942 NA PeJP NA NA +PJ046250 GSNEEMY C33H48N8O15S 828.296 NA PeJP NA NA +PJ046251 GSSMMMW C34H52N8O10S3 828.2969 NA PeJP NA NA +PJ046252 GCNDHHF C34H44N12O11S 828.2974 NA PeJP NA NA +PJ046253 CCFFFY C42H48N6O8S2 828.2975 NA PeJP NA NA +PJ046254 GSSSTEMM C30H52N8O15S2 828.2994 NA PeJP NA NA +PJ046255 GDDDDHR C30H44N12O16 828.2999 NA PeJP NA NA +PJ046256 ASQMMMM C31H56N8O10S4 828.3002 NA PeJP NA NA +PJ046257 GTQMMMM C31H56N8O10S4 828.3003 NA PeJP NA NA +PJ046258 GCCNNRY C31H48N12O11S2 828.3007 NA PeJP NA NA +PJ046259 GGGGGGPCMH C31H48N12O11S2 828.3008 NA PeJP NA NA +PJ046260 NDEEHW C35H44N10O14 828.3039 NA PeJP NA NA +PJ046261 SPPCCHW C36H48N10O9S2 828.3047 NA PeJP NA NA +PJ046262 CCDFRW C36H48N10O9S2 828.3048 NA PeJP NA NA +PJ046263 SSNNNMY C32H48N10O14S 828.3072 NA PeJP NA NA +PJ046264 GSCDERY C32H48N10O14S 828.3073 NA PeJP NA NA +PJ046265 GPCCMRY C33H52N10O9S3 828.3081 NA PeJP NA NA +PJ046266 GCMFWW C41H48N8O7S2 828.3088 NA PeJP NA NA +PJ046267 SSSSSSSSN C28H48N10O19 828.3097 NA PeJP NA NA +PJ046268 SSSSCCQK C29H52N10O14S2 828.3106 NA PeJP NA NA +PJ046269 SNEMYW C37H48N8O12S 828.3113 NA PeJP NA NA +PJ046270 GTCMMMR C30H56N10O9S4 828.3115 NA PeJP NA NA +PJ046271 SSCCHHR C30H48N14O10S2 828.312 NA PeJP NA NA +PJ046272 SSSQEEY C33H48N8O17 828.3138 NA PeJP NA NA +PJ046273 SSSTMMW C34H52N8O12S2 828.3146 NA PeJP NA NA +PJ046274 GGAAEMMY C34H52N8O12S2 828.3147 NA PeJP NA NA +PJ046275 GSNNDHW C34H44N12O13 828.3151 NA PeJP NA NA +PJ046276 ACFYYY C42H48N6O10S 828.3153 NA PeJP NA NA +PJ046277 CKMMMW C35H56N8O7S4 828.3155 NA PeJP NA NA +PJ046278 SSSSTTEM C30H52N8O17S 828.3171 NA PeJP NA NA +PJ046279 PEEEYY C38H48N6O15 828.3178 NA PeJP NA NA +PJ046280 SSDKMMM C31H56N8O12S3 828.318 NA PeJP NA NA +PJ046281 SPCDDHR C31H48N12O13S 828.3185 NA PeJP NA NA +PJ046282 GDEHWW C39H44N10O11 828.3191 NA PeJP NA NA +PJ046283 ACCKMHH C32H52N12O8S3 828.3194 NA PeJP NA NA +MJ095693 Terracinolide A; 7-Deacyl, 7-propanoyl C42H52O17 828.32045 NA MeJP NA NA +PJ046284 SCDRYW C36H48N10O11S 828.3225 NA PeJP NA NA +PJ046285 SSSDDRY C32H48N10O16 828.325 NA PeJP NA NA +PJ046286 NDMMRY C33H52N10O11S2 828.3259 NA PeJP NA NA +PJ046287 GSMYWW C41H48N8O9S 828.3265 NA PeJP NA NA +PJ046288 MMHHHH C34H48N14O7S2 828.3272 NA PeJP NA NA +PJ046289 GSSSSSSCK C29H52N10O16S 828.3284 NA PeJP NA NA +PJ046290 GSSTEYW C37H48N8O14 828.329 NA PeJP NA NA +PJ046291 SSSMMMR C30H56N10O11S3 828.3292 NA PeJP NA NA +PJ046292 GSTCCCKK C30H56N10O11S3 828.3293 NA PeJP NA NA +PJ046293 GCNNEHR C30H48N14O12S 828.3297 NA PeJP NA NA +PJ046294 AQMMYW C38H52N8O9S2 828.3299 NA PeJP NA NA +PJ046295 GSDKEMY C34H52N8O14S 828.3324 NA PeJP NA NA +PJ046296 GTYYYY C42H48N6O12 828.333 NA PeJP NA NA +PJ046297 GPCKMMY C35H56N8O9S3 828.3333 NA PeJP NA NA +PJ046298 NNQMHW C35H48N12O10S 828.3337 NA PeJP NA NA +PJ046299 GGGGQMHW C35H48N12O10S 828.3338 NA PeJP NA NA +PJ046300 DHWWW C43H44N10O8 828.3344 NA PeJP NA NA +PJ046301 SSSSSLMM C31H56N8O14S2 828.3358 NA PeJP NA NA +PJ046302 GSDEEHR C31H48N12O15 828.3362 NA PeJP NA NA +PJ046303 GGGGSTQEH C31H48N12O15 828.3363 NA PeJP NA NA +PJ046304 GTKMMMM C32H60N8O9S4 828.3366 NA PeJP NA NA +PJ046305 CCERRY C32H52N12O10S2 828.3371 NA PeJP NA NA +PJ046306 GNNNHHH C32H44N16O11 828.3376 NA PeJP NA NA +PJ046307 PTCHWW C40H48N10O8S 828.3378 NA PeJP NA NA +PJ046308 NNQQYY C36H48N10O13 828.3402 NA PeJP NA NA +PJ046309 TQEEHW C36H48N10O13 828.3403 NA PeJP NA NA +PJ046310 ACMRYW C37H52N10O8S2 828.3411 NA PeJP NA NA +PJ046311 DHHHHF C37H44N14O9 828.3416 NA PeJP NA NA +PJ046312 GSSEMRY C33H52N10O13S 828.3436 NA PeJP NA NA +PJ046313 GGGLEEMH C33H52N10O13S 828.3437 NA PeJP NA NA +PJ046314 SSTYWW C41H48N8O11 828.3443 NA PeJP NA NA +PJ046315 NMMMFR C34H56N10O8S3 828.3445 NA PeJP NA NA +PJ046316 CNNHRW C34H48N14O9S 828.345 NA PeJP NA NA +PJ046317 SSSSCCKK C30H56N10O13S2 828.347 NA PeJP NA NA +PJ046318 SSNNDHR C30H48N14O14 828.3475 NA PeJP NA NA +PJ046319 SDKMYW C38H52N8O11S 828.3476 NA PeJP NA NA +PJ046320 GSSVMYW C38H52N8O11S 828.3477 NA PeJP NA NA +PJ046321 SSSKEEY C34H52N8O16 828.3501 NA PeJP NA NA +PJ046322 GSSSSLEY C34H52N8O16 828.3502 NA PeJP NA NA +PJ046323 QKEMMY C35H56N8O11S2 828.351 NA PeJP NA NA +PJ046324 SDEHRW C35H48N12O12 828.3515 NA PeJP NA NA +PJ046325 PCMHRW C36H52N12O7S2 828.3524 NA PeJP NA NA +PJ046326 SSTTTTTM C31H56N8O16S 828.3535 NA PeJP NA NA +PJ046327 LEEEFY C39H52N6O14 828.3542 NA PeJP NA NA +PJ046328 STTKMMM C32H60N8O11S3 828.3544 NA PeJP NA NA +PJ046329 QEEMHR C32H52N12O12S 828.3549 NA PeJP NA NA +PJ046330 ATEHWW C40H48N10O10 828.3555 NA PeJP NA NA +MJ095694 Amicenomycin A C43H56O16 828.356835 NA MeJP NA NA +MJ095695 Amicenomycin B C43H56O16 828.356835 NA MeJP NA NA +MJ095696 Antibiotic BA 12100Z1 C43H56O16 828.356835 NA MeJP NA NA +PJ046331 SSMRYW C37H52N10O10S 828.3589 NA PeJP NA NA +PJ046332 QFYWW C45H48N8O8 828.3595 NA PeJP NA NA +PJ046333 SSSTERY C33H52N10O15 828.3614 NA PeJP NA NA +PJ046334 TQMMRY C34H56N10O10S2 828.3623 NA PeJP NA NA +PJ046335 AAQEHHH C34H48N14O11 828.3627 NA PeJP NA NA +PJ046336 GGGVEHHH C34H48N14O11 828.3628 NA PeJP NA NA +PJ046337 AQMFFW C42H52N8O8S 828.3629 NA PeJP NA NA +PJ046338 SSSSLYW C38H52N8O13 828.3654 NA PeJP NA NA +PJ046339 DDMHRR C31H52N14O11S 828.3661 NA PeJP NA NA +PJ046340 AKMMYW C39H56N8O8S2 828.3663 NA PeJP NA NA +PJ046341 NQHHFF C39H48N12O9 828.3668 NA PeJP NA NA +PJ046342 GTTKEMY C35H56N8O13S 828.3688 NA PeJP NA NA +MJ095697 RA-X C43H52N6O11 828.369406 NA MeJP NA NA +PJ046343 AAKMMMF C36H60N8O8S3 828.3697 NA PeJP NA NA +PJ046344 AEMHRW C36H52N12O9S 828.3701 NA PeJP NA NA +PJ046345 GPHFWW C44H48N10O7 828.3708 NA PeJP NA NA +PJ046346 GTTEEHR C32H52N12O14 828.3726 NA PeJP NA NA +PJ046347 GGGGGGPNKE C32H52N12O14 828.3727 NA PeJP NA NA +PJ046348 TCMRRY C33H56N12O9S2 828.3735 NA PeJP NA NA +PJ046349 NEHHHR C33H48N16O10 828.374 NA PeJP NA NA +PJ046350 GLMHWW C41H52N10O7S 828.3742 NA PeJP NA NA +PJ046351 GSTLEHW C37H52N10O12 828.3766 NA PeJP NA NA +PJ046352 TKEEHW C37H52N10O12 828.3767 NA PeJP NA NA +PJ046353 GSCNHRR C30H52N16O10S 828.3773 NA PeJP NA NA +PJ046354 GGGSCHRR C30H52N16O10S 828.3774 NA PeJP NA NA +PJ046355 PKMMHW C38H56N10O7S2 828.3775 NA PeJP NA NA +MJ095698 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C40H60O18 828.377965 NA MeJP NA NA +PJ046356 VNHHHW C38H48N14O8 828.378 NA PeJP NA NA +PJ046357 GTTTMRY C34H56N10O12S 828.38 NA PeJP NA NA +PJ046358 GLQYYW C42H52N8O10 828.3807 NA PeJP NA NA +PJ046359 APCKHHH C35H52N14O8S 828.3814 NA PeJP NA NA +PJ046360 SSSQQHR C31H52N14O13 828.3838 NA PeJP NA NA +PJ046361 GPNDDRR C31H52N14O13 828.3839 NA PeJP NA NA +PJ046362 TTKMYW C39H56N8O10S 828.384 NA PeJP NA NA +PJ046363 PPVVCEW C39H56N8O10S 828.3841 NA PeJP NA NA +PJ046364 STTTKEY C35H56N8O15 828.3865 NA PeJP NA NA +PJ046365 GGPVLEEE C35H56N8O15 828.3866 NA PeJP NA NA +PJ046366 KKEMMY C36H60N8O10S2 828.3874 NA PeJP NA NA +PJ046367 TTEHRW C36H52N12O11 828.3879 NA PeJP NA NA +PJ046368 GHHHRW C37H48N16O7 828.3892 NA PeJP NA NA +PJ046369 LLEEYY C40H56N6O13 828.3906 NA PeJP NA NA +PJ046370 SPTTMHR C33H56N12O11S 828.3912 NA PeJP NA NA +PJ046371 KEEMHR C33H56N12O11S 828.3913 NA PeJP NA NA +PJ046372 STLHWW C41H52N10O9 828.3919 NA PeJP NA NA +PJ046373 VKEMHW C38H56N10O9S 828.3953 NA PeJP NA NA +PJ046374 KFYWW C46H52N8O7 828.3959 NA PeJP NA NA +PJ046375 STTTTRY C34H56N10O14 828.3978 NA PeJP NA NA +PJ046376 TKMMRY C35H60N10O9S2 828.3986 NA PeJP NA NA +PJ046377 GCCKKKY C35H60N10O9S2 828.3987 NA PeJP NA NA +PJ046378 NQQHFR C35H52N14O10 828.3991 NA PeJP NA NA +PJ046379 PPLMWW C43H56N8O7S 828.3993 NA PeJP NA NA +PJ046380 GPVLEEW C39H56N8O12 828.4018 NA PeJP NA NA +PJ046381 TEMHRR C32H56N14O10S 828.4025 NA PeJP NA NA +PJ046382 GPQRWW C40H52N12O8 828.4031 NA PeJP NA NA +PJ046383 GGAPRWW C40H52N12O8 828.4032 NA PeJP NA NA +PJ046384 SSTLKMY C36H60N8O12S 828.4052 NA PeJP NA NA +PJ046385 SLMHRW C37H56N12O8S 828.4065 NA PeJP NA NA +PJ046386 SSTLEHR C33H56N12O13 828.409 NA PeJP NA NA +PJ046387 GGGGGGGGGALL C33H56N12O13 828.4091 NA PeJP NA NA +PJ046388 AALMMHR C34H60N12O8S2 828.4099 NA PeJP NA NA +PJ046389 DKHHHR C34H52N16O9 828.4104 NA PeJP NA NA +PJ046390 PLEERW C38H56N10O11 828.413 NA PeJP NA NA +PJ046391 GGGPLDKW C38H56N10O11 828.4131 NA PeJP NA NA +MJ095699 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C41H64O17 828.41435 NA MeJP NA NA +MJ095700 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] C41H64O17 828.41435 NA MeJP NA NA +PJ046392 PPHHRW C39H52N14O7 828.4144 NA PeJP NA NA +PJ046393 SPPLEMR C35H60N10O11S 828.4164 NA PeJP NA NA +PJ046394 SVKFYW C43H56N8O9 828.417 NA PeJP NA NA +PJ046395 PVLEWW C43H56N8O9 828.4171 NA PeJP NA NA +PJ046396 GSPQERR C32H56N14O12 828.4202 NA PeJP NA NA +PJ046397 GGGPTERR C32H56N14O12 828.4203 NA PeJP NA NA +PJ046398 SPPVLMW C40H60N8O9S 828.4204 NA PeJP NA NA +PJ046399 VMMHRR C33H60N14O7S2 828.4211 NA PeJP NA NA +PJ046400 SHHHRR C33H52N18O8 828.4216 NA PeJP NA NA +PJ046401 PVVKEEE C36H60N8O14 828.4229 NA PeJP NA NA +PJ046402 PPLLQMM C37H64N8O9S2 828.4238 NA PeJP NA NA +PJ046403 PNKERW C37H56N12O10 828.4243 NA PeJP NA NA +PJ046404 ATTLMHR C34H60N12O10S 828.4276 NA PeJP NA NA +PJ046405 GGSPPKMR C34H60N12O10S 828.4277 NA PeJP NA NA +PJ046406 PVNKWW C42H56N10O8 828.4283 NA PeJP NA NA +PJ046407 NQQQRR C31H56N16O11 828.4315 NA PeJP NA NA +PJ046408 APPCKKW C39H60N10O8S 828.4317 NA PeJP NA NA +PJ046409 SPVLEER C35H60N10O13 828.4342 NA PeJP NA NA +PJ046410 PPVVMMR C36H64N10O8S2 828.435 NA PeJP NA NA +PJ046411 SPQRRW C36H56N14O9 828.4355 NA PeJP NA NA +PJ046412 APTLLEW C40H60N8O11 828.4382 NA PeJP NA NA +PJ046413 AAPQMRR C33H60N14O9S 828.4389 NA PeJP NA NA +PJ046414 GPKRWW C41H56N12O7 828.4395 NA PeJP NA NA +PJ046415 PVLLQEM C37H64N8O11S 828.4416 NA PeJP NA NA +PJ046416 NNNRRR C30H56N18O10 828.4427 NA PeJP NA NA +PJ046417 CKKKHW C38H60N12O7S 828.4429 NA PeJP NA NA +PJ046418 TTTTLHR C34H60N12O12 828.4454 NA PeJP NA NA +PJ046419 AAPKKEW C39H60N10O10 828.4494 NA PeJP NA NA +PJ046420 PNMRRR C32H60N16O8S 828.4501 NA PeJP NA NA +MJ095701 1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester C42H68O16 828.450736 NA MeJP NA NA +MJ095702 12-Oleanene-3,15,16,22,28-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H68O16 828.450736 NA MeJP NA NA +MJ095703 12-Oleanene-3,16,22,23,28-pentol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside] C42H68O16 828.450736 NA MeJP NA NA +MJ095704 12-Oleanene-3,21,22,24,29-pentol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H68O16 828.450736 NA MeJP NA NA +MJ095705 12-Oleanene-3,21,22,24,29-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H68O16 828.450736 NA MeJP NA NA +MJ095706 2,3,19,23-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester C42H68O16 828.450736 NA MeJP NA NA +MJ095707 2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, 3-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester C42H68O16 828.450736 NA MeJP NA NA +MJ095708 2,3,21,23-Tetrahydroxy-12-oleanen-28-oic acid, 21-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H68O16 828.450736 NA MeJP NA NA +MJ095709 2,3,6,16,23-Pentahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-L-rhamnopyranosyl ester C42H68O16 828.450736 NA MeJP NA NA +MJ095710 3,22,23-Trihydroxy-24-methyl-30-nor-8-lanosten-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?6)-?-D-glucopyranoside] C42H68O16 828.450736 NA MeJP NA NA +MJ095711 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 3-O-[3-O-Methyl-6-deoxy-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C42H68O16 828.450736 NA MeJP NA NA +MJ095712 Cucurbitacin U; 3-O-?-D-Gentiobioside C42H68O16 828.450736 NA MeJP NA NA +PJ046421 APLLEMR C36H64N10O10S 828.4528 NA PeJP NA NA +PJ046422 APPVLFW C44H60N8O8 828.4534 NA PeJP NA NA +PJ046423 GPPLLFW C44H60N8O8 828.4535 NA PeJP NA NA +PJ046424 GSPKERR C33H60N14O11 828.4566 NA PeJP NA NA +PJ046425 GGAALERR C33H60N14O11 828.4567 NA PeJP NA NA +PJ046426 GPLLLMW C41H64N8O8S 828.4568 NA PeJP NA NA +PJ046427 PTLLKEE C37H64N8O13 828.4593 NA PeJP NA NA +PJ046428 PPLLKMM C38H68N8O8S2 828.4602 NA PeJP NA NA +PJ046429 PDKKRW C38H60N12O9 828.4607 NA PeJP NA NA +PJ046430 GPLQKMR C35H64N12O9S 828.464 NA PeJP NA NA +PJ046431 VLKHFW C43H60N10O7 828.4647 NA PeJP NA NA +PJ046432 VNERRR C32H60N16O10 828.4679 NA PeJP NA NA +PJ046433 PTTLLER C36H64N10O12 828.4705 NA PeJP NA NA +PJ046434 GLLLEER C36H64N10O12 828.4706 NA PeJP NA NA +PJ046435 SPKRRW C37H60N14O8 828.4719 NA PeJP NA NA +PJ046436 GVLLLEW C41H64N8O10 828.4746 NA PeJP NA NA +PJ046437 AAPKMRR C34H64N14O8S 828.4753 NA PeJP NA NA +PJ046438 PVLLKEM C38H68N8O10S 828.4779 NA PeJP NA NA +PJ046439 PLLLDKM C38H68N8O10S 828.478 NA PeJP NA NA +PJ046440 GERRRR C31H60N18O9 828.4791 NA PeJP NA NA +PJ046441 APTKKER C35H64N12O11 828.4818 NA PeJP NA NA +PJ046442 GVRRRW C36H60N16O7 828.4831 NA PeJP NA NA +PJ046443 LLLERW C40H64N10O9 828.4858 NA PeJP NA NA +MJ095713 20,24-Epoxydammarane-3,6,12,25-tetrol, 6-O-[?-D-Xylopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] C43H72O15 828.487121 NA MeJP NA NA +MJ095714 Cycloartane-3,6,16,24,25-pentol, 3-O-(4-O-Acetyl-?-D-xylopyranoside), 6-O-?-D-glucopyranoside C43H72O15 828.487121 NA MeJP NA NA +MJ095715 Cycloartane-3,6,16,24,25-pentol, 3-O-?-D-Xylopyranoside, 6-O-(6-O-acetyl-?-D-glucopyranoside) C43H72O15 828.487121 NA MeJP NA NA +MJ095716 Cycloartane-3,6,16,24,25-pentol, 3-O-[2-O-Acetyl-?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C43H72O15 828.487121 NA MeJP NA NA +PJ046444 SPLLLMR C37H68N10O9S 828.4892 NA PeJP NA NA +PJ046445 VLLLWW C45H64N8O7 828.4898 NA PeJP NA NA +C13885 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol C40H78O13P2 828.4918 NA KEGG NA NA +C13886 Transferred to D02153 C40H78O13P2 828.4918 NA KEGG NA NA +C13887 Transferred to D02154 C40H78O13P2 828.4918 NA KEGG NA NA +PJ046446 LQKERR C34H64N14O10 828.493 NA PeJP NA NA +PJ046447 RRRRW C35H60N18O6 828.4944 NA PeJP NA NA +PJ046448 VVLLKEE C38H68N8O12 828.4957 NA PeJP NA NA +PJ046449 VLQKRW C39H64N12O8 828.497 NA PeJP NA NA +PJ046450 GPLKKMR C36H68N12O8S 828.5004 NA PeJP NA NA +MJ095717 12-Oleanene-3,16,21,22,28-pentol, 28-Ac, 21-(3,4-di-O-angeloyl-?-L-arabinopyranoside) C47H72O12 828.502377 NA MeJP NA NA +MJ095718 Osirisyne A; 6-Hydroxy, 19-deoxo, 21-oxo C47H72O12 828.502377 NA MeJP NA NA +PJ046451 VDKRRR C33H64N16O9 828.5043 NA PeJP NA NA +PJ046452 SVLLLER C37H68N10O11 828.5069 NA PeJP NA NA +PJ046453 GAALLKKE C37H68N10O11 828.507 NA PeJP NA NA +PJ046454 ALKRRW C38H64N14O7 828.5083 NA PeJP NA NA +PJ046455 ATLLLLW C42H68N8O9 828.511 NA PeJP NA NA +PJ046456 VLLLLQM C39H72N8O9S 828.5143 NA PeJP NA NA +PJ046457 SVRRRR C32H64N18O8 828.5155 NA PeJP NA NA +PJ046458 GVLKKER C36H68N12O10 828.5182 NA PeJP NA NA +PJ046459 AALLKKW C41H68N10O8 828.5222 NA PeJP NA NA +MJ095719 Lonomycin A C44H76O14 828.523507 NA MeJP NA NA +MJ095720 Portmicin C44H76O14 828.523507 NA MeJP NA NA +PJ046460 ALLLLMR C38H72N10O8S 828.5256 NA PeJP NA NA +PJ046461 LKKERR C35H68N14O9 828.5294 NA PeJP NA NA +MJ095721 Enterococcus faecalis Sex pheromone inhibitor iPD1 C39H72N8O11 828.532055 NA MeJP NA NA +PJ046462 TLLLLKE C39H72N8O11 828.5321 NA PeJP NA NA +PJ046463 VLKKRW C40H68N12O7 828.5334 NA PeJP NA NA +MJ095722 Foromacidin A; 18-Deoxo C43H76N2O13 828.53474 NA MeJP NA NA +PJ046464 TLKRRR C34H68N16O8 828.5406 NA PeJP NA NA +PJ046465 TTLLLLR C38H72N10O10 828.5433 NA PeJP NA NA +PJ046466 PVLLLKF C43H72N8O8 828.5473 NA PeJP NA NA +PJ046467 VLLLLKM C40H76N8O8S 828.5507 NA PeJP NA NA +PJ046468 ATLLKKR C37H72N12O9 828.5546 NA PeJP NA NA +PJ046469 AAKKKKR C36H72N14O8 828.5658 NA PeJP NA NA +PJ046470 SLLLKKK C39H76N10O9 828.5797 NA PeJP NA NA +PJ046471 AVKKKKK C38H76N12O8 828.5909 NA PeJP NA NA +PJ046472 GLKKKKK C38H76N12O8 828.591 NA PeJP NA NA +EUR1112 SM(d18:1/22:3) [M+FA-H]- C45H87N2O6P 828.635056 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1112 SM(d18:1/22:3) [M+FA-H]- C45H87N2O6P 828.635056 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1112 SM(d18:1/22:3) [M+FA-H]- C45H87N2O6P 828.635056 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1112 SM(d18:1/22:3) [M+FA-H]- C45H87N2O6P 828.635056 masses lipides attendues Inhousejuil11 NA NA +HMDB13469 SM(d18:0/24:1(15Z)(OH)) C47H93N2O7P 828.672058 NA HMDB2010 NA NA +MJ095723 Stigmast-5-en-3-ol, O-(3-O-Heptadecanoyl-?-D-glucopyranoside) C52H92O7 828.684305 NA MeJP NA NA +MJ095724 Solamin; 15-(9-Octadecenoyl)(Z-) C53H96O6 828.72069 NA MeJP NA NA +HMDB05379 TG(16:0/16:1(9Z)/18:2(9Z,12Z))[iso6] C53H96O6 828.7207 http://www.hmdb.ca/metabolites/HMDB05379 HMDB NA NA +HMDB05433 TG(16:1(9Z)/16:1(9Z)/18:1(9Z))[iso3] C53H96O6 828.7207 http://www.hmdb.ca/metabolites/HMDB05433 HMDB NA NA +HMDB05379 TG(16:0/16:1(9Z)/18:2(9Z,12Z))[iso6] C53H96O6 828.7207 HMDB05379 PFEM_hmdb_metabocards_official NA NA +HMDB05433 TG(16:1(9Z)/16:1(9Z)/18:1(9Z))[iso3] C53H96O6 828.7207 HMDB05433 PFEM_hmdb_metabocards_official NA NA +HMDB05379 TG(16:0/16:1(9Z)/18:2(9Z,12Z))[iso6] C53H96O6 828.720703 NA HMDB2010 NA NA +HMDB05433 TG(16:1(9Z)/16:1(9Z)/18:1(9Z))[iso3] C53H96O6 828.720703 NA HMDB2010 NA NA +HMDB10417 TG(16:0/16:0/18:3(9Z,12Z,15Z))[iso3] C53H96O6 828.720703 NA HMDB2010 NA NA +HMDB10436 TG(18:1(11Z)/14:0/18:2(9Z,12Z))[iso3] C53H96O6 828.720703 NA HMDB2010 NA NA +HMDB10449 TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6] C53H96O6 828.720703 NA HMDB2010 NA NA +MJ095725 Bis[N-carboxymethyl-N-[2-[[4-[[(carboxymethyl)amino]carbonyl]phenyl]amino]-2-oxoethyl]glycinato]technetate(III)(1-) C30H30N6O16Tc(-) 829.086869 NA MeJP NA NA +PJ046473 CCCCMMH C28H47N9O8S6 829.1872 NA PeJP NA NA +PJ046474 CCDDDEM C28H43N7O16S3 829.1929 NA PeJP NA NA +PJ046475 GCCCCNNN C26H43N11O12S4 829.1976 NA PeJP NA NA +PJ046476 CCCCDHF C31H43N9O10S4 829.2016 NA PeJP NA NA +FL7AACGL0085 Cyanidin 3-O-[2''-O-(xylosyl) glucoside] 5-O-(6'''-O-malonyl) glucoside C35H41O23 829.20386 - knapsack NA NA +FL7AACGL0103 Cyanidin 3-O-[(6-O-malonyl-2-O-beta-D-xylopyranosyl)-beta-D-glucopyranoside]-7-O-beta-D-glucopyranoside C35H41O23 829.20386 339079-78-6 knapsack NA NA +PJ046477 GSCCCNDE C27H43N9O15S3 829.2041 NA PeJP NA NA +PJ046478 GPCCCCNM C28H47N9O10S5 829.205 NA PeJP NA NA +PJ046479 SCCCNDW C31H43N9O12S3 829.2194 NA PeJP NA NA +PJ046480 SSSCCNDD C27H43N9O17S2 829.2219 NA PeJP NA NA +PJ046481 CCNNDMM C28H47N9O12S4 829.2227 NA PeJP NA NA +PJ046482 GGGGCCDMM C28H47N9O12S4 829.2228 NA PeJP NA NA +PJ046483 PCCDDDY C32H43N7O15S2 829.2259 NA PeJP NA NA +PJ046484 SCDDEMM C29H47N7O15S3 829.2293 NA PeJP NA NA +PJ046485 PCCDMMM C30H51N7O10S5 829.2301 NA PeJP NA NA +PJ046486 CCCCNER C27H47N11O11S4 829.234 NA PeJP NA NA +PJ046487 CCNNDDF C31H43N9O14S2 829.2371 NA PeJP NA NA +PJ046488 GCCCQMW C32H47N9O9S4 829.238 NA PeJP NA NA +PJ046489 GSSCCNEM C28H47N9O14S3 829.2405 NA PeJP NA NA +PJ046490 APCCCCCK C29H51N9O9S5 829.2414 NA PeJP NA NA +PJ046491 CCCNNHH C29H43N13O10S3 829.2418 NA PeJP NA NA +PJ046492 GGGGCCCHH C29H43N13O10S3 829.2419 NA PeJP NA NA +PJ046493 ACDDDEY C32H43N7O17S 829.2436 NA PeJP NA NA +PJ046494 GDDDDMY C32H43N7O17S 829.2437 NA PeJP NA NA +PJ046495 PCCDDMF C33H47N7O12S3 829.2445 NA PeJP NA NA +PJ046496 GDDMMMM C30H51N7O12S4 829.2479 NA PeJP NA NA +PJ046497 SCCDEHH C30H43N11O13S2 829.2484 NA PeJP NA NA +PJ046498 GCCCCRW C31H47N11O8S4 829.2492 NA PeJP NA NA +PJ046499 GSSCCCDR C27H47N11O13S3 829.2517 NA PeJP NA NA +PJ046500 SCNNDDY C31H43N9O16S 829.2549 NA PeJP NA NA +PJ046501 SSCCNMW C32H47N9O11S3 829.2557 NA PeJP NA NA +PJ046502 GGSSCCMW C32H47N9O11S3 829.2558 NA PeJP NA NA +PJ046503 SSSSCNDM C28H47N9O16S2 829.2582 NA PeJP NA NA +PJ046504 GGSSSSCDM C28H47N9O16S2 829.2583 NA PeJP NA NA +PJ046505 CDDEYW C36H43N7O14S 829.2589 NA PeJP NA NA +PJ046506 SCNNMMM C29H51N9O11S4 829.2591 NA PeJP NA NA +C11443 Aromatized deshydroxy-C-1027 chromophore C43H44ClN3O12 829.2614 NA KEGG NA NA +C11444 Acetyl-[pcp] C2H3OSR 829.2614 NA KEGG NA NA +PJ046507 SSDDDEY C32H43N7O19 829.2614 NA PeJP NA NA +PJ046508 SPCDDMY C33H47N7O14S2 829.2623 NA PeJP NA NA +PJ046509 CEMMMW C34H51N7O9S4 829.2631 NA PeJP NA NA +PJ046510 SSDEMMM C30H51N7O14S3 829.2656 NA PeJP NA NA +PJ046511 SPCMMMM C31H55N7O9S5 829.2665 NA PeJP NA NA +PJ046512 GCDMMHH C31H47N11O10S3 829.267 NA PeJP NA NA +PJ046513 SCCCQMR C28H51N11O10S4 829.2703 NA PeJP NA NA +PJ046514 TCCCNMR C28H51N11O10S4 829.2704 NA PeJP NA NA +PJ046515 ACCCHFF C36H47N9O8S3 829.271 NA PeJP NA NA +PJ046516 ADDDEEH C31H43N9O18 829.2726 NA PeJP NA NA +PJ046517 GDDEEEH C31H43N9O18 829.2727 NA PeJP NA NA +PJ046518 GSSSTCCW C32H47N9O13S2 829.2735 NA PeJP NA NA +PJ046519 GCCCKMW C33H51N9O8S4 829.2744 NA PeJP NA NA +PJ046520 GSSSSSSCE C28H47N9O18S 829.276 NA PeJP NA NA +PJ046521 GDDDDFF C36H43N7O16 829.2767 NA PeJP NA NA +PJ046522 GSSSCQMM C29H51N9O13S3 829.2769 NA PeJP NA NA +PJ046523 CNNNNDH C29H43N13O14S 829.2773 NA PeJP NA NA +PJ046524 GGCNNNDH C29H43N13O14S 829.2774 NA PeJP NA NA +PJ046525 CDEMFW C37H47N7O11S2 829.2775 NA PeJP NA NA +PJ046526 GSDEEMY C33H47N7O16S 829.28 NA PeJP NA NA +PJ046527 GPCEMMY C34H51N7O11S3 829.2809 NA PeJP NA NA +PJ046528 GCDDHHF C34H43N11O12S 829.2814 NA PeJP NA NA +PJ046529 SCCCCRR C27H51N13O9S4 829.2816 NA PeJP NA NA +PJ046530 SNNDDEH C30H43N11O17 829.2839 NA PeJP NA NA +PJ046531 GTEMMMM C31H55N7O11S4 829.2843 NA PeJP NA NA +PJ046532 GCCNDRY C31H47N11O12S2 829.2847 NA PeJP NA NA +PJ046533 GGGCCDRY C31H47N11O12S2 829.2848 NA PeJP NA NA +PJ046534 GCCHHHH C32H43N15O8S2 829.2861 NA PeJP NA NA +PJ046535 DDEEHW C35H43N9O15 829.2879 NA PeJP NA NA +PJ046536 GSSSCCMR C28H51N11O12S3 829.2881 NA PeJP NA NA +PJ046537 CCQQYW C36H47N9O10S2 829.2887 NA PeJP NA NA +PJ046538 CNNMYW C36H47N9O10S2 829.2888 NA PeJP NA NA +PJ046539 SSCNQEY C32H47N9O15S 829.2912 NA PeJP NA NA +PJ046540 SSSSSSCW C32H47N9O15S 829.2913 NA PeJP NA NA +PJ046541 STCCCKW C33H51N9O10S3 829.2921 NA PeJP NA NA +PJ046542 GGGGACMMF C33H51N9O10S3 829.2922 NA PeJP NA NA +PJ046543 SSSSSSSSD C28H47N9O20 829.2937 NA PeJP NA NA +PJ046544 SSSSSNMM C29H51N9O15S2 829.2946 NA PeJP NA NA +PJ046545 SDEMYW C37H47N7O13S 829.2953 NA PeJP NA NA +PJ046546 SCCQKMM C30H55N9O10S4 829.2955 NA PeJP NA NA +PJ046547 PCMMYW C38H51N7O8S3 829.2962 NA PeJP NA NA +PJ046548 SSSEEEY C33H47N7O18 829.2978 NA PeJP NA NA +PJ046549 QEEMMY C34H51N7O13S2 829.2986 NA PeJP NA NA +PJ046550 GAEEMMY C34H51N7O13S2 829.2987 NA PeJP NA NA +PJ046551 GSNDDHW C34H43N11O14 829.2991 NA PeJP NA NA +PJ046552 TMMMMW C35H55N7O8S4 829.2995 NA PeJP NA NA +PJ046553 GPCCQHW C35H47N11O9S2 829.3 NA PeJP NA NA +PJ046554 STTEMMM C31H55N7O13S3 829.302 NA PeJP NA NA +PJ046555 GNNEEMH C31H47N11O14S 829.3025 NA PeJP NA NA +PJ046556 GVMMMMM C32H59N7O8S5 829.3029 NA PeJP NA NA +PJ046557 GCCNMFR C32H51N11O9S3 829.3034 NA PeJP NA NA +PJ046558 SSSSTCCR C28H51N11O14S2 829.3059 NA PeJP NA NA +PJ046559 GSSCQYW C36H47N9O12S 829.3065 NA PeJP NA NA +PJ046560 SCCCKMR C29H55N11O9S4 829.3067 NA PeJP NA NA +PJ046561 GSSSSNEY C32H47N9O17 829.309 NA PeJP NA NA +PJ046562 DDMMRY C33H51N9O12S2 829.3099 NA PeJP NA NA +PJ046563 PCDFYW C41H47N7O10S 829.3105 NA PeJP NA NA +PJ046564 PPCCHHH C34H47N13O8S2 829.3112 NA PeJP NA NA +PJ046565 GSSSSSSTM C29H51N9O17S 829.3124 NA PeJP NA NA +PJ046566 GSPDEYY C37H47N7O15 829.313 NA PeJP NA NA +PJ046567 GGEEEFY C37H47N7O15 829.3131 NA PeJP NA NA +PJ046568 GSSSCKMM C30H55N9O12S3 829.3133 NA PeJP NA NA +PJ046569 GCNDEHR C30H47N13O13S 829.3137 NA PeJP NA NA +PJ046570 GGGCDEHR C30H47N13O13S 829.3138 NA PeJP NA NA +PJ046571 AEMMYW C38H51N7O10S2 829.3139 NA PeJP NA NA +PJ046572 MMMMMR C31H59N9O7S5 829.3141 NA PeJP NA NA +PJ046573 GTTEEMY C34H51N7O15S 829.3164 NA PeJP NA NA +PJ046574 GPTMMMY C35H55N7O10S3 829.3173 NA PeJP NA NA +PJ046575 NNEMHW C35H47N11O11S 829.3177 NA PeJP NA NA +PJ046576 GGNEMHW C35H47N11O11S 829.3178 NA PeJP NA NA +PJ046577 SSNQEEH C31H47N11O16 829.3202 NA PeJP NA NA +PJ046578 GGSSQEEH C31H47N11O16 829.3203 NA PeJP NA NA +PJ046579 SSLMMMM C32H59N7O10S4 829.3206 NA PeJP NA NA +PJ046580 GSCNMRY C32H51N11O11S2 829.3211 NA PeJP NA NA +PJ046581 GNNDHHH C32H43N15O12 829.3216 NA PeJP NA NA +PJ046582 CNNFFW C40H47N9O9S 829.3218 NA PeJP NA NA +PJ046583 SSSSNYW C36H47N9O14 829.3243 NA PeJP NA NA +PJ046584 CCQKYW C37H51N9O9S2 829.3251 NA PeJP NA NA +PJ046585 PEMMHW C37H51N9O9S2 829.3252 NA PeJP NA NA +MJ095726 Antibiotic EM 2487 C32H57N5O16P2 829.327553 NA MeJP NA NA +PJ046586 SSSQQMY C33H51N9O14S 829.3276 NA PeJP NA NA +PJ046587 GGGGSTTMY C33H51N9O14S 829.3277 NA PeJP NA NA +PJ046588 SPDYYW C41H47N7O12 829.3283 NA PeJP NA NA +PJ046589 DMMMFR C34H55N9O9S3 829.3285 NA PeJP NA NA +PJ046590 CNDHRW C34H47N13O10S 829.329 NA PeJP NA NA +PJ046591 PCMFFW C42H51N7O7S2 829.3292 NA PeJP NA NA +PJ046592 SSSSSSSTT C29H51N9O19 829.3301 NA PeJP NA NA +PJ046593 SSSSTCKM C30H55N9O14S2 829.331 NA PeJP NA NA +PJ046594 SSNDDHR C30H47N13O15 829.3315 NA PeJP NA NA +PJ046595 TTEMYW C38H51N7O12S 829.3317 NA PeJP NA NA +PJ046596 SCCKKMM C31H59N9O9S4 829.3319 NA PeJP NA NA +PJ046597 SPCCQHR C31H51N13O10S2 829.3324 NA PeJP NA NA +PJ046598 CLMMFW C39H55N7O7S3 829.3325 NA PeJP NA NA +PJ046599 GNMHWW C39H47N11O8S 829.333 NA PeJP NA NA +PJ046600 STTTEEY C34H51N7O17 829.3342 NA PeJP NA NA +PJ046601 KEEMMY C35H55N7O12S2 829.335 NA PeJP NA NA +PJ046602 PPPEEMM C35H55N7O12S2 829.3351 NA PeJP NA NA +PJ046603 GSSQEHW C35H47N11O13 829.3355 NA PeJP NA NA +PJ046604 GPCCKHW C36H51N11O8S2 829.3364 NA PeJP NA NA +MJ095727 Cephabacin F; Cephabacin F4, 28-Deoxy, N27-(L-Alanyl-L-alanyl) C32H51N11O13S 829.338851 NA MeJP NA NA +PJ046605 SSSCQRY C32H51N11O13S 829.3389 NA PeJP NA NA +PJ046606 GNQYYW C40H47N9O11 829.3395 NA PeJP NA NA +PJ046607 ACCCKFR C33H55N11O8S3 829.3398 NA PeJP NA NA +PJ046608 GSSCKYW C37H51N9O11S 829.3429 NA PeJP NA NA +PJ046609 EFYWW C45H47N7O9 829.3435 NA PeJP NA NA +PJ046610 GSSSSDKY C33H51N9O16 829.3454 NA PeJP NA NA +PJ046611 TEMMRY C34H55N9O11S2 829.3463 NA PeJP NA NA +PJ046612 GNNNQHF C34H47N13O12 829.3467 NA PeJP NA NA +PJ046613 GGGNNQHF C34H47N13O12 829.3468 NA PeJP NA NA +PJ046614 APMYYW C42H51N7O9S 829.3469 NA PeJP NA NA +PJ046615 CMHHFR C35H51N13O7S2 829.3476 NA PeJP NA NA +PJ046616 VQEEYY C38H51N7O14 829.3494 NA PeJP NA NA +PJ046617 GSNEMHR C31H51N13O12S 829.3501 NA PeJP NA NA +PJ046618 SLMMYW C39H55N7O9S2 829.3503 NA PeJP NA NA +PJ046619 SSQHWW C39H47N11O10 829.3508 NA PeJP NA NA +MJ095728 Aclacinomycin M; 10-Hydroxy C42H55NO16 829.352084 NA MeJP NA NA +MJ095729 Aclacinomycin M; 4''-Epimer, 8-hydroxy C42H55NO16 829.352084 NA MeJP NA NA +MJ095730 Antibiotic MA 144U1 C42H55NO16 829.352084 NA MeJP NA NA +MJ095731 Rhodirubin A C42H55NO16 829.352084 NA MeJP NA NA +PJ046620 SSTLEMY C35H55N7O14S 829.3528 NA PeJP NA NA +PJ046621 AALMMMY C36H59N7O9S3 829.3537 NA PeJP NA NA +PJ046622 NDKMHW C36H51N11O10S 829.3541 NA PeJP NA NA +PJ046623 GPPCDRW C36H51N11O10S 829.3542 NA PeJP NA NA +PJ046624 GSSSSSRY C32H51N11O15 829.3566 NA PeJP NA NA +PJ046625 GGGPEEER C32H51N11O15 829.3567 NA PeJP NA NA +PJ046626 GTCCKRY C33H55N11O10S2 829.3575 NA PeJP NA NA +PJ046627 DEHHHR C33H47N15O11 829.358 NA PeJP NA NA +PJ046628 PPNMWW C41H51N9O8S 829.3582 NA PeJP NA NA +PJ046629 TQQQYY C37H51N9O13 829.3606 NA PeJP NA NA +PJ046630 AAPQEEW C37H51N9O13 829.3607 NA PeJP NA NA +PJ046631 GSCDHRR C30H51N15O11S 829.3614 NA PeJP NA NA +PJ046632 CCKKYW C38H55N9O8S2 829.3615 NA PeJP NA NA +PJ046633 VDHHHW C38H47N13O9 829.362 NA PeJP NA NA +PJ046634 SSSQKMY C34H55N9O13S 829.364 NA PeJP NA NA +PJ046635 GGAAPPTEM C34H55N9O13S 829.3641 NA PeJP NA NA +PJ046636 GLEYYW C42H51N7O11 829.3647 NA PeJP NA NA +PJ046637 VMMMRY C35H59N9O8S3 829.3649 NA PeJP NA NA +PJ046638 SNMHRW C35H51N13O9S 829.3654 NA PeJP NA NA +PJ046639 GHHFFW C43H47N11O7 829.366 NA PeJP NA NA +PJ046640 GPDDDRR C31H51N13O14 829.3679 NA PeJP NA NA +PJ046641 ASPVMYY C39H55N7O11S 829.368 NA PeJP NA NA +PJ046642 PKEMYY C39H55N7O11S 829.3681 NA PeJP NA NA +PJ046643 QQMMHR C32H55N13O9S2 829.3687 NA PeJP NA NA +PJ046644 GAQMMHR C32H55N13O9S2 829.3688 NA PeJP NA NA +PJ046645 ACKHWW C40H51N11O7S 829.3694 NA PeJP NA NA +PJ046646 PVVEEEE C35H55N7O16 829.3706 NA PeJP NA NA +PJ046647 ATTLMMY C36H59N7O11S2 829.3714 NA PeJP NA NA +PJ046648 PNEERW C36H51N11O12 829.3719 NA PeJP NA NA +PJ046649 KMMHHF C37H55N11O7S2 829.3728 NA PeJP NA NA +PJ046650 SSSCKRY C33H55N11O12S 829.3753 NA PeJP NA NA +PJ046651 PVNEWW C41H51N9O10 829.3759 NA PeJP NA NA +PJ046652 GNNNQQR C30H51N15O13 829.3791 NA PeJP NA NA +PJ046653 GGGGGGGGGAAR C30H51N15O13 829.3792 NA PeJP NA NA +PJ046654 GPPDKMW C38H55N9O10S 829.3793 NA PeJP NA NA +PJ046655 LYYWW C46H51N7O8 829.3799 NA PeJP NA NA +PJ046656 CQMHRR C31H55N15O8S2 829.38 NA PeJP NA NA +PJ046657 GSSSTTKY C34H55N9O15 829.3818 NA PeJP NA NA +PJ046658 GTCKKMY C35H59N9O10S2 829.3827 NA PeJP NA NA +PJ046659 GSSTHRW C35H51N13O11 829.3831 NA PeJP NA NA +PJ046660 GGGGGSPRW C35H51N13O11 829.3832 NA PeJP NA NA +PJ046661 ALMFYW C43H55N7O8S 829.3833 NA PeJP NA NA +PJ046662 VKEEYY C39H55N7O13 829.3858 NA PeJP NA NA +PJ046663 SPPCDRR C32H55N13O11S 829.3865 NA PeJP NA NA +PJ046664 AALMMFF C40H59N7O8S2 829.3867 NA PeJP NA NA +PJ046665 SSKHWW C40H51N11O9 829.3871 NA PeJP NA NA +PJ046666 GPERWW C40H51N11O9 829.3872 NA PeJP NA NA +8288 Antioxidative peptide YFYPQL 829.388 NA ;SYN:(3R)-LS-Isoleucine; 2-amino-3-methyl-[S-(R*,S*)]-Pentanoate; 2-amino-3-methyl-[S-(R*,S*)]-Pentanoic acid; Allo-L-Isoleucine; Allo-Isoleucine; L(+)-Alloisoleucine; L-allo-Isoleucine; L-alloisoleucine; [S-(R*,S*)]-2-Amino-3-methylpentanoate; [S-(R*,S*)]-2-Amino-3-methylpentanoic acid; threo-3-methyl-L-Norvaline; threo-L-Isoleucine; (2S,3R)-2-amino-3-methylpentanoic acid; (2S,3R)-2-amino-3-methylpentanoateH2Blood Inhouse_peptide NA peptide +PJ046667 TTTTLMY C36H59N7O13S 829.3892 NA PeJP NA NA +PJ046668 GSPPMRW C37H55N11O9S 829.3905 NA PeJP NA NA +PJ046669 GPVWWW C45H51N9O7 829.3912 NA PeJP NA NA +PJ046670 GPDKEER C33H55N11O14 829.393 NA PeJP NA NA +PJ046671 GGGGGAPTKE C33H55N11O14 829.3931 NA PeJP NA NA +PJ046672 APPQMMR C34H59N11O9S2 829.3939 NA PeJP NA NA +PJ046673 GSQKHHH C34H51N15O10 829.3944 NA PeJP NA NA +PJ046674 PLMHFW C42H55N9O7S 829.3946 NA PeJP NA NA +PJ046675 SSPPKEW C38H55N9O12 829.397 NA PeJP NA NA +PJ046676 AAPKEEW C38H55N9O12 829.3971 NA PeJP NA NA +PJ046677 GSSMHRR C31H55N15O10S 829.3977 NA PeJP NA NA +PJ046678 GGGPCQRR C31H55N15O10S 829.3978 NA PeJP NA NA +PJ046679 LLMMHW C39H59N9O7S2 829.3979 NA PeJP NA NA +PJ046680 GQHFRW C39H51N13O8 829.3984 NA PeJP NA NA +PJ046681 SSSKKMY C35H59N9O12S 829.4004 NA PeJP NA NA +PJ046682 SVLYYW C43H55N7O10 829.4011 NA PeJP NA NA +PJ046683 TCKHRW C36H55N13O8S 829.4018 NA PeJP NA NA +PJ046684 PRWWW C44H51N11O6 829.4024 NA PeJP NA NA +PJ046685 STTTQHR C32H55N13O13 829.4042 NA PeJP NA NA +PJ046686 GSPEERR C32H55N13O13 829.4043 NA PeJP NA NA +PJ046687 LLQMYY C40H59N7O10S 829.4044 NA PeJP NA NA +PJ046688 APPCMRR C33H59N13O8S2 829.4051 NA PeJP NA NA +PJ046689 PTLLEEE C36H59N7O15 829.4069 NA PeJP NA NA +PJ046690 PPLLEMM C37H63N7O10S2 829.4078 NA PeJP NA NA +PJ046691 PDKERW C37H55N11O11 829.4083 NA PeJP NA NA +PJ046692 PHHHFR C38H51N15O7 829.4096 NA PeJP NA NA +PJ046693 PPTTQMR C34H59N11O11S 829.4116 NA PeJP NA NA +PJ046694 GPLQEMR C34H59N11O11S 829.4117 NA PeJP NA NA +PJ046695 PVDKWW C42H55N9O9 829.4123 NA PeJP NA NA +PJ046696 LMHHHR C35H55N15O7S 829.413 NA PeJP NA NA +PJ046697 SSSTHRR C31H55N15O12 829.4155 NA PeJP NA NA +PJ046698 APPTKMW C39H59N9O9S 829.4157 NA PeJP NA NA +PJ046699 ALFFFW C47H55N7O7 829.4163 NA PeJP NA NA +PJ046700 CKMHRR C32H59N15O7S2 829.4164 NA PeJP NA NA +PJ046701 APKKEEE C35H59N9O14 829.4182 NA PeJP NA NA +PJ046702 SVLLMMH C36H63N9O9S2 829.419 NA PeJP NA NA +7894 peptide from human milk b-casein (167-173) QVVPYPQ 829.419 ACE inhibitor Inhouse_peptide NA peptide +PJ046703 VVTLMMH C36H63N9O9S2 829.4191 NA PeJP NA NA +PJ046704 SPERRW C36H55N13O10 829.4195 NA PeJP NA NA +PJ046705 GTTLLYY C40H59N7O12 829.4222 NA PeJP NA NA +PJ046706 AAPEMRR C33H59N13O10S 829.4229 NA PeJP NA NA +PJ046707 SPVRWW C41H55N11O8 829.4235 NA PeJP NA NA +PJ046708 GAPPFRW C41H55N11O8 829.4236 NA PeJP NA NA +PJ046709 PVLLEEM C37H63N7O12S 829.4256 NA PeJP NA NA +PJ046710 NNDRRR C30H55N17O11 829.4267 NA PeJP NA NA +PJ046711 GGGGDRRR C30H55N17O11 829.4268 NA PeJP NA NA +PJ046712 PLQMRW C38H59N11O8S 829.4269 NA PeJP NA NA +PJ046713 APTKEER C34H59N11O13 829.4294 NA PeJP NA NA +MJ095732 Tubulysin B C42H63N5O10S 829.429563 NA MeJP NA NA +C15703 Tubulysin B C42H63N5O10S 829.4296 NA KEGG NA NA +PJ046714 APPKMMR C35H63N11O8S2 829.4303 NA PeJP NA NA +MJ095733 Trihexosylceramide C37H67NO19 829.430729 NA MeJP NA NA +PJ046715 GQQRRW C35H55N15O9 829.4308 NA PeJP NA NA +3480 ACE-inhibitor (b-casein, fr, 177-183) AVPYPQR 829.431 ACE inhibitor Inhouse_peptide NA peptide +7875 peptide derived from bovine b-casein (177-183) AVPYPQR 829.431 antioxidative Inhouse_peptide NA peptide +PJ046716 GPTLKEW C39H59N9O11 829.4334 NA PeJP NA NA +PJ046717 GGGVLLEW C39H59N9O11 829.4335 NA PeJP NA NA +PJ046718 PDMRRR C32H59N15O9S 829.4341 NA PeJP NA NA +PJ046719 GKHFRW C40H55N13O7 829.4348 NA PeJP NA NA +PJ046720 PPTKKEM C36H63N9O11S 829.4368 NA PeJP NA NA +PJ046721 PLKFYY C44H59N7O9 829.4375 NA PeJP NA NA +PJ046722 PCLRRW C37H59N13O7S 829.4381 NA PeJP NA NA +PJ046723 APTTERR C33H59N13O12 829.4406 NA PeJP NA NA +PJ046724 LQEERR C33H59N13O12 829.4407 NA PeJP NA NA +PJ046725 LLKMYY C41H63N7O9S 829.4408 NA PeJP NA NA +PJ046726 KKMMHR C34H63N13O7S2 829.4415 NA PeJP NA NA +PJ046727 PQHHRR C34H55N17O8 829.442 NA PeJP NA NA +PJ046728 VVLLEEE C37H63N7O14 829.4433 NA PeJP NA NA +PJ046729 VLQERW C38H59N11O10 829.4447 NA PeJP NA NA +MJ095734 Maridomycin III C41H67NO16 829.445985 NA MeJP NA NA +MJ095735 Sekazin C41H67NO16 829.445985 NA MeJP NA NA +MJ095736 Carboxymycobactins; Carboxymycobactin 7 C42H63N5O12 829.447322 NA MeJP NA NA +PJ046730 APVKEMR C35H63N11O10S 829.448 NA PeJP NA NA +PJ046731 GPLKEMR C35H63N11O10S 829.4481 NA PeJP NA NA +PJ046732 PTLKWW C43H59N9O8 829.4487 NA PeJP NA NA +PJ046733 VDERRR C32H59N15O11 829.4519 NA PeJP NA NA +PJ046734 GPVLKMW C40H63N9O8S 829.4521 NA PeJP NA NA +PJ046735 SPLKKEE C36H63N9O13 829.4546 NA PeJP NA NA +PJ046736 PPVKKMM C37H67N9O8S2 829.4554 NA PeJP NA NA +PJ046737 ALERRW C37H59N13O9 829.4559 NA PeJP NA NA +PJ046738 PPVLLEY C41H63N7O11 829.4586 NA PeJP NA NA +PJ046739 GPTLMRR C34H63N13O9S 829.4593 NA PeJP NA NA +PJ046740 GLLRWW C42H59N11O7 829.4599 NA PeJP NA NA +MJ095737 Antibiotic AH 758 C45H67NO13 829.461241 NA MeJP NA NA +PJ046741 SQQRRR C31H59N17O10 829.4631 NA PeJP NA NA +PJ046742 PLKMRW C39H63N11O7S 829.4633 NA PeJP NA NA +PJ046743 GVLKEER C35H63N11O12 829.4658 NA PeJP NA NA +PJ046744 GQKRRW C36H59N15O8 829.4671 NA PeJP NA NA +PJ046745 AALLKEW C40H63N9O10 829.4698 NA PeJP NA NA +PJ046746 PVVKKEM C37H67N9O10S 829.4732 NA PeJP NA NA +PJ046747 LLKFFY C45H63N7O8 829.4738 NA PeJP NA NA +PJ046748 PPPLLFF C45H63N7O8 829.4739 NA PeJP NA NA +3700 NA RKQDKR 829.4749 ACE inhibitor Inhouse_peptide NA peptide +PJ046749 LKEERR C34H63N13O11 829.477 NA PeJP NA NA +PJ046750 GGGVKKER C34H63N13O11 829.4771 NA PeJP NA NA +PJ046751 PPLLLMF C42H67N7O8S 829.4772 NA PeJP NA NA +PJ046752 PKHHRR C35H59N17O7 829.4784 NA PeJP NA NA +PJ046753 TLLLLEE C38H67N7O13 829.4797 NA PeJP NA NA +PJ046754 PLLLLMM C39H71N7O8S2 829.4806 NA PeJP NA NA +PJ046755 VLKERW C39H63N11O9 829.4811 NA PeJP NA NA +PJ046756 SPVLKMR C36H67N11O9S 829.4844 NA PeJP NA NA +PJ046757 VVLKWW C44H63N9O7 829.4851 NA PeJP NA NA +PJ046758 TLERRR C33H63N15O10 829.4883 NA PeJP NA NA +HMDB12417 PS(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H72NO10P 829.48938 NA HMDB2010 NA NA +HMDB12447 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C46H72NO10P 829.48938 NA HMDB2010 NA NA +PJ046759 SLLLQKE C37H67N9O12 829.4909 NA PeJP NA NA +PJ046760 ALLKKEE C37H67N9O12 829.491 NA PeJP NA NA +PJ046761 SLLRRW C38H63N13O8 829.4923 NA PeJP NA NA +PJ046762 PVLLLEF C42H67N7O10 829.495 NA PeJP NA NA +PJ046763 AALLMRR C35H67N13O8S 829.4957 NA PeJP NA NA +PJ046764 VLLLLEM C39H71N7O10S 829.4983 NA PeJP NA NA +PJ046765 LLLLLDM C39H71N7O10S 829.4984 NA PeJP NA NA +PJ046766 SQKRRR C32H63N17O9 829.4995 NA PeJP NA NA +PJ046767 ATLLKER C36H67N11O11 829.5022 NA PeJP NA NA +PJ046768 GKKRRW C37H63N15O7 829.5035 NA PeJP NA NA +PJ046769 GTLLLKW C41H67N9O9 829.5062 NA PeJP NA NA +PJ046770 VLMRRR C34H67N15O7S 829.5069 NA PeJP NA NA +PJ046771 PTLLKKM C38H71N9O9S 829.5096 NA PeJP NA NA +PJ046772 ATTLLRR C35H67N13O10 829.5134 NA PeJP NA NA +PJ046773 LQKKKW C40H67N11O8 829.5174 NA PeJP NA NA +PJ046774 GLLLKMR C37H71N11O8S 829.5208 NA PeJP NA NA +PJ046775 DKKKRR C34H67N15O9 829.5247 NA PeJP NA NA +PJ046776 SLLLKKE C38H71N9O11 829.5273 NA PeJP NA NA +PJ046777 PVLLLLY C43H71N7O9 829.5314 NA PeJP NA NA +PJ046778 SKKRRR C33H67N17O8 829.5359 NA PeJP NA NA +PJ046779 STLLLKR C37H71N11O10 829.5386 NA PeJP NA NA +PJ046780 PVVLKKF C42H71N9O8 829.5426 NA PeJP NA NA +PJ046781 VVLLKKM C39H75N9O8S 829.546 NA PeJP NA NA +PJ046782 GTLKKKR C36H71N13O9 829.5498 NA PeJP NA NA +PJ046783 LKKKKW C41H71N11O7 829.5538 NA PeJP NA NA +EUR1000 PC 38:5 [M+Na]+ C46H82NO8P 829.559753 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1000 PC 38:5 [M+Na]+ C46H82NO8P 829.559753 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1000 PC 38:5 [M+Na]+ C46H82NO8P 829.559753 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1000 PC 38:5 [M+Na]+ C46H82NO8P 829.559753 masses lipides attendues Inhousejuil11 NA NA +HMDB08156 PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08187 PC(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08188 PC(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08220 PC(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08221 PC(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08252 PC(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08380 PC(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08412 PC(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08443 PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08444 PC(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08476 PC(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08477 PC(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08507 PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08508 PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08634 PC(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08665 PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08666 PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08698 PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08699 PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +HMDB08730 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) C48H80NO8P 829.562134 NA HMDB2010 NA NA +EUR1024 PC 40:8 monoisotopic mass C48H80NO8P 829.562157 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1024 PC 40:8 monoisotopic mass C48H80NO8P 829.562157 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1024 PC 40:8 monoisotopic mass C48H80NO8P 829.562157 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1024 PC 40:8 monoisotopic mass C48H80NO8P 829.562157 masses lipides attendues Inhousejuil11 NA NA +PJ046784 VLLLLLF C44H75N7O8 829.5677 NA PeJP NA NA +PJ046785 SVLKKKK C38H75N11O9 829.575 NA PeJP NA NA +EUR972 PC 36:3 [M+FA-H]- C44H82NO8P 829.582687 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR972 PC 36:3 [M+FA-H]- C44H82NO8P 829.582687 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR972 PC 36:3 [M+FA-H]- C44H82NO8P 829.582687 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR972 PC 36:3 [M+FA-H]- C44H82NO8P 829.582687 masses lipides attendues Inhousejuil11 NA NA +HMDB07960 PC(15:0/24:1(15Z)) C47H92NO8P 829.656067 NA HMDB2010 NA NA +HMDB08790 PC(24:1(15Z)/15:0) C47H92NO8P 829.656067 NA HMDB2010 NA NA +HMDB09014 PE(18:0/24:1(15Z)) C47H92NO8P 829.656067 NA HMDB2010 NA NA +HMDB09046 PE(18:1(11Z)/24:0) C47H92NO8P 829.656067 NA HMDB2010 NA NA +HMDB09079 PE(18:1(9Z)/24:0) C47H92NO8P 829.656067 NA HMDB2010 NA NA +HMDB09238 PE(20:0/22:1(13Z)) C47H92NO8P 829.656067 NA HMDB2010 NA NA +HMDB09270 PE(20:1(11Z)/22:0) C47H92NO8P 829.656067 NA HMDB2010 NA NA +HMDB09494 PE(22:0/20:1(11Z)) C47H92NO8P 829.656067 NA HMDB2010 NA NA +HMDB09526 PE(22:1(13Z)/20:0) C47H92NO8P 829.656067 NA HMDB2010 NA NA +HMDB09718 PE(24:0/18:1(11Z)) C47H92NO8P 829.656067 NA HMDB2010 NA NA +HMDB09719 PE(24:0/18:1(9Z)) C47H92NO8P 829.656067 NA HMDB2010 NA NA +HMDB09750 PE(24:1(15Z)/18:0) C47H92NO8P 829.656067 NA HMDB2010 NA NA +MJ095738 2-Amino-8-octadecene-1,3,4-triol, N-(2R-Hydroxytricosanoyl), 1-O-?-D-glucopyranoside C47H91NO10 829.664298 NA MeJP NA NA +MJ095739 Asteriacerebroside F C47H91NO10 829.664298 NA MeJP NA NA +HMDB08555 PC(22:0/P-18:0) C48H96NO7P 829.692444 NA HMDB2010 NA NA +HMDB08784 PC(24:0/P-16:0) C48H96NO7P 829.692444 NA HMDB2010 NA NA +HMDB11230 PC(P-16:0/24:0) C48H96NO7P 829.692444 NA HMDB2010 NA NA +HMDB11256 PC(P-18:0/22:0) C48H96NO7P 829.692444 NA HMDB2010 NA NA +HMDB13433 PC(o-18:1(9Z)/22:0) C48H96NO7P 829.692444 NA HMDB2010 NA NA +MJ095740 Aerothionin; 2''-Hydroxy C24H26Br4N4O9 829.843329 NA MeJP NA NA +PJ046786 GCCCCCCH C26H42N10O9S6 830.1461 NA PeJP NA NA +PJ046787 PPCCCCCC C28H46N8O9S6 830.1712 NA PeJP NA NA +PJ046788 GCCCCNND C26H42N10O13S4 830.1816 NA PeJP NA NA +PJ046789 GSCCCDDE C27H42N8O16S3 830.1881 NA PeJP NA NA +PJ046790 GPCCCCDM C28H46N8O11S5 830.189 NA PeJP NA NA +PJ046791 SCCCDDW C31H42N8O13S3 830.2034 NA PeJP NA NA +PJ046792 SSSCCDDD C27H42N8O18S2 830.2059 NA PeJP NA NA +PJ046793 CCNDDMM C28H46N8O13S4 830.2067 NA PeJP NA NA +PJ046794 GGCCDDMM C28H46N8O13S4 830.2068 NA PeJP NA NA +PJ046795 CCCCDER C27H46N10O12S4 830.218 NA PeJP NA NA +PJ046796 CCNDDDF C31H42N8O15S2 830.2211 NA PeJP NA NA +PJ046797 GGCCDDDF C31H42N8O15S2 830.2212 NA PeJP NA NA +PJ046798 GCCCEMW C32H46N8O10S4 830.222 NA PeJP NA NA +PJ046799 GSSCCDEM C28H46N8O15S3 830.2245 NA PeJP NA NA +PJ046800 GSPCCCMM C29H50N8O10S5 830.2254 NA PeJP NA NA +PJ046801 CCCNDHH C29H42N12O11S3 830.2258 NA PeJP NA NA +PJ046802 GGCCCDHH C29H42N12O11S3 830.2259 NA PeJP NA NA +MJ095741 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?6)-[4-hydroxy-3,5-dimethoxycinnamoyl-(?4)]-?-D-glucopyranoside] C39H43O20(+) 830.226943 NA MeJP NA NA +HMDB00936 Uroporphyrin I C40H38N4O16 830.22827 http://www.hmdb.ca/metabolites/HMDB00936 PFEM_hmdb_metabocards_urine NA urine +HMDB00936 Uroporphyrin I C40H38N4O16 830.22827 http://www.hmdb.ca/metabolites/HMDB00936 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00936 Uroporphyrin I C40H38N4O16 830.22827 http://www.hmdb.ca/metabolites/HMDB00936 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00936 Uroporphyrin I C40H38N4O16 830.22827 http://www.hmdb.ca/metabolites/HMDB00936 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00916 Uroporphyrin III C40H38N4O16 830.22827 http://www.hmdb.ca/metabolites/HMDB00916 HMDB NA NA +HMDB00936 Uroporphyrin I C40H38N4O16 830.22827 http://www.hmdb.ca/metabolites/HMDB00936 HMDB NA NA +HMDB00936 Uroporphyrin I C40H38N4O16 830.22827 http://www.hmdb.ca/metabolites/HMDB00936 PFEM_hmdb_metabocards_blood NA blood +HMDB00916 Uroporphyrin III C40H38N4O16 830.22827 HMDB00916 PFEM_hmdb_metabocards_official NA NA +HMDB00936 Uroporphyrin I C40H38N4O16 830.22827 HMDB00936 PFEM_hmdb_metabocards_official NA NA +HMDB00890 Uroporphyrin IV C40H38N4O16 830.228271 NA HMDB2010 NA NA +HMDB00916 Uroporphyrin III C40H38N4O16 830.228271 NA HMDB2010 NA NA +HMDB00936 Uroporphyrin I C40H38N4O16 830.228271 NA HMDB2010 NA NA +MJ095742 Uroporphyrin I C40H38N4O16 830.228281 NA MeJP NA NA +C02469 Uroporphyrin III C40H38N4O16 830.2283 NA KEGG NA NA +C05767 Uroporphyrin I C40H38N4O16 830.2283 NA KEGG NA NA +PJ046803 SSSCCCNQ C27H46N10O14S3 830.2357 NA PeJP NA NA +PJ046804 GGGGSSTCCC C27H46N10O14S3 830.2358 NA PeJP NA NA +PJ046805 CCCMWW C36H46N8O7S4 830.2373 NA PeJP NA NA +PJ046806 SCNDDDY C31H42N8O17S 830.2389 NA PeJP NA NA +PJ046807 SSCCDMW C32H46N8O12S3 830.2398 NA PeJP NA NA +PJ046808 SSSSCDDM C28H46N8O17S2 830.2423 NA PeJP NA NA +PJ046809 SCNDMMM C29H50N8O12S4 830.2431 NA PeJP NA NA +PJ046810 CCCNNQF C31H46N10O11S3 830.251 NA PeJP NA NA +PJ046811 GSSSSSCCN C27H46N10O16S2 830.2535 NA PeJP NA NA +PJ046812 SCCCEMR C28H50N10O11S4 830.2544 NA PeJP NA NA +PJ046813 GPCCCYW C36H46N8O9S3 830.255 NA PeJP NA NA +PJ046814 GCNDEMY C32H46N8O14S2 830.2575 NA PeJP NA NA +PJ046815 GTCCMMW C33H50N8O9S4 830.2584 NA PeJP NA NA +PJ046816 GSSSCEMM C29H50N8O14S3 830.2609 NA PeJP NA NA +PJ046817 CNNNDDH C29H42N12O15S 830.2614 NA PeJP NA NA +PJ046818 GCQMMMM C30H54N8O9S5 830.2618 NA PeJP NA NA +PJ046819 SCCNMHH C30H46N12O10S3 830.2622 NA PeJP NA NA +MJ095743 Premnoside B; 3''-Me ether C40H46O19 830.263329 NA MeJP NA NA +PJ046820 SNDDDEH C30H42N10O18 830.2679 NA PeJP NA NA +PJ046821 SCCNNQY C31H46N10O13S2 830.2687 NA PeJP NA NA +PJ046822 GCCDDRY C31H46N10O13S2 830.2688 NA PeJP NA NA +PJ046823 PCCCCFR C32H50N10O8S4 830.2696 NA PeJP NA NA +PJ046824 SSSCCCNK C28H50N10O13S3 830.2721 NA PeJP NA NA +PJ046825 CNDMYW C36H46N8O11S2 830.2728 NA PeJP NA NA +PJ046826 GCCMMMR C29H54N10O8S5 830.273 NA PeJP NA NA +PJ046827 SSNDDMY C32H46N8O16S 830.2753 NA PeJP NA NA +PJ046828 SSSCMMW C33H50N8O11S3 830.2761 NA PeJP NA NA +PJ046829 GGPTCCMY C33H50N8O11S3 830.2762 NA PeJP NA NA +PJ046830 SSSSSDMM C29H50N8O16S2 830.2786 NA PeJP NA NA +PJ046831 SSNMMMM C30H54N8O11S4 830.2795 NA PeJP NA NA +PJ046832 GSSTCCHH C30H46N12O12S2 830.28 NA PeJP NA NA +PJ046833 EEEMMY C34H50N6O14S2 830.2827 NA PeJP NA NA +PJ046834 GSDDDHW C34H42N10O15 830.2832 NA PeJP NA NA +PJ046835 GPCCEHW C35H46N10O10S2 830.284 NA PeJP NA NA +PJ046836 GSSSCNNY C31H46N10O15S 830.2865 NA PeJP NA NA +PJ046837 SPCCCRY C32H50N10O10S3 830.2874 NA PeJP NA NA +PJ046838 ACCYWW C40H46N8O8S2 830.288 NA PeJP NA NA +PJ046839 GSSCEYW C36H46N8O13S 830.2905 NA PeJP NA NA +PJ046840 GGGCDEFF C36H46N8O13S 830.2906 NA PeJP NA NA +PJ046841 STCCMMR C29H54N10O10S4 830.2907 NA PeJP NA NA +PJ046842 GSCCCCKK C29H54N10O10S4 830.2908 NA PeJP NA NA +PJ046843 CNMMFW C37H50N8O8S3 830.2914 NA PeJP NA NA +PJ046844 GSSSSDEY C32H46N8O18 830.293 NA PeJP NA NA +PJ046845 GSPPDDDE C32H46N8O18 830.2931 NA PeJP NA NA +PJ046846 GSNEMMY C33H50N8O13S2 830.2939 NA PeJP NA NA +PJ046847 GCYYYY C41H46N6O11S 830.2945 NA PeJP NA NA +PJ046848 PCCCKMF C34H54N8O8S4 830.2948 NA PeJP NA NA +PJ046849 ACCNHHF C34H46N12O9S2 830.2952 NA PeJP NA NA +PJ046850 GCCQHHF C34H46N12O9S2 830.2953 NA PeJP NA NA +PJ046851 DEEEFY C37H46N6O16 830.2971 NA PeJP NA NA +PJ046852 GSSSTMMM C30H54N8O13S3 830.2973 NA PeJP NA NA +PJ046853 SSSSSCHH C30H46N12O14S 830.2977 NA PeJP NA NA +PJ046854 GCDDEHR C30H46N12O14S 830.2978 NA PeJP NA NA +PJ046855 GCKMMMM C31H58N8O8S5 830.2982 NA PeJP NA NA +PJ046856 TCCCKHH C31H50N12O9S3 830.2986 NA PeJP NA NA +PJ046857 PCCHWW C39H46N10O7S2 830.2993 NA PeJP NA NA +MJ095744 Bussein H C41H50O18 830.299714 NA MeJP NA NA +PJ046858 NDEMHW C35H46N10O12S 830.3018 NA PeJP NA NA +PJ046859 SSNEEEH C31H46N10O17 830.3043 NA PeJP NA NA +PJ046860 GSCDMRY C32H50N10O12S2 830.3051 NA PeJP NA NA +PJ046861 GGSPDMMH C32H50N10O12S2 830.3052 NA PeJP NA NA +PJ046862 GNDDHHH C32H42N14O13 830.3056 NA PeJP NA NA +PJ046863 SSCYWW C40H46N8O10S 830.3058 NA PeJP NA NA +PJ046864 SSSSDYW C36H46N8O15 830.3083 NA PeJP NA NA +PJ046865 SNMMYW C37H50N8O10S2 830.3091 NA PeJP NA NA +PJ046866 GGSMMYW C37H50N8O10S2 830.3092 NA PeJP NA NA +PJ046867 SSSQEMY C33H50N8O15S 830.3116 NA PeJP NA NA +PJ046868 GGSSTEMY C33H50N8O15S 830.3117 NA PeJP NA NA +PJ046869 QQMMMY C34H54N8O10S3 830.3125 NA PeJP NA NA +PJ046870 CDDHRW C34H46N12O11S 830.313 NA PeJP NA NA +PJ046871 SSSSTTMM C30H54N8O15S2 830.315 NA PeJP NA NA +PJ046872 SSDDDHR C30H46N12O16 830.3155 NA PeJP NA NA +PJ046873 PEEMYY C38H50N6O13S 830.3157 NA PeJP NA NA +PJ046874 STCKMMM C31H58N8O10S4 830.3159 NA PeJP NA NA +PJ046875 SPCCEHR C31H50N12O11S2 830.3164 NA PeJP NA NA +PJ046876 GDMHWW C39H46N10O9S 830.317 NA PeJP NA NA +PJ046877 GSSEEHW C35H46N10O14 830.3195 NA PeJP NA NA +PJ046878 GGGGGPDEW C35H46N10O14 830.3196 NA PeJP NA NA +PJ046879 TCCRYW C36H50N10O9S2 830.3204 NA PeJP NA NA +PJ046880 SSSCERY C32H50N10O14S 830.3229 NA PeJP NA NA +PJ046881 GNEYYW C40H46N8O12 830.3235 NA PeJP NA NA +PJ046882 GGGEYYW C40H46N8O12 830.3236 NA PeJP NA NA +PJ046883 CQMMRY C33H54N10O9S3 830.3238 NA PeJP NA NA +PJ046884 SPCNHHH C33H46N14O10S 830.3242 NA PeJP NA NA +PJ046885 GGSPCHHH C33H46N14O10S 830.3243 NA PeJP NA NA +PJ046886 CMHFFF C41H50N8O7S2 830.3244 NA PeJP NA NA +PJ046887 NNNNNNQ C29H46N14O15 830.3267 NA PeJP NA NA +PJ046888 GGGGGGNNNQ C29H46N14O15 830.3268 NA PeJP NA NA +MJ095745 Phallacin C37H50N8O12S 830.326889 NA MeJP NA NA +PJ046889 GSSTMYW C37H50N8O12S 830.3269 NA PeJP NA NA +PJ046890 GCNNMHR C30H50N14O10S2 830.3276 NA PeJP NA NA +PJ046891 GSSSTTEY C33H50N8O17 830.3294 NA PeJP NA NA +PJ046892 GSDKMMY C34H54N8O12S2 830.3303 NA PeJP NA NA +PJ046893 SSSNNHW C34H46N12O13 830.3308 NA PeJP NA NA +PJ046894 GCCKHHF C35H50N12O8S2 830.3316 NA PeJP NA NA +PJ046895 VEEEYY C38H50N6O15 830.3334 NA PeJP NA NA +PJ046896 GSDEMHR C31H50N12O13S 830.3341 NA PeJP NA NA +PJ046897 GGGGGGTTMH C31H50N12O13S 830.3342 NA PeJP NA NA +PJ046898 SSEHWW C39H46N10O11 830.3348 NA PeJP NA NA +PJ046899 CCMRRY C32H54N12O8S3 830.335 NA PeJP NA NA +MJ095746 Bussein J C42H54O17 830.3361 NA MeJP NA NA +PJ046900 SSSPMHW C36H50N10O11S 830.3381 NA PeJP NA NA +PJ046901 TQEMHW C36H50N10O11S 830.3382 NA PeJP NA NA +PJ046902 NYYWW C44H46N8O9 830.3388 NA PeJP NA NA +PJ046903 STTQEEH C32H50N10O16 830.3406 NA PeJP NA NA +PJ046904 GPDEEER C32H50N10O16 830.3407 NA PeJP NA NA +PJ046905 GSSMMRY C33H54N10O11S2 830.3415 NA PeJP NA NA +PJ046906 GGGGGAPPMM C33H54N10O11S2 830.3416 NA PeJP NA NA +PJ046907 GSQEHHH C33H46N14O12 830.342 NA PeJP NA NA +PJ046908 PPDMWW C41H50N8O9S 830.3422 NA PeJP NA NA +PJ046909 SSSTTYW C37H50N8O14 830.3447 NA PeJP NA NA +PJ046910 SSCNQHR C30H50N14O12S 830.3454 NA PeJP NA NA +PJ046911 TCKMYW C38H54N8O9S2 830.3455 NA PeJP NA NA +PJ046912 GAQMMFF C38H54N8O9S2 830.3456 NA PeJP NA NA +PJ046913 NNNHFW C38H46N12O10 830.346 NA PeJP NA NA +PJ046914 SSSKEMY C34H54N8O14S 830.348 NA PeJP NA NA +PJ046915 GAPPTEEM C34H54N8O14S 830.3481 NA PeJP NA NA +PJ046916 PPEYYY C42H50N6O12 830.3487 NA PeJP NA NA +PJ046917 QKMMMY C35H58N8O9S3 830.3489 NA PeJP NA NA +PJ046918 SDMHRW C35H50N12O10S 830.3494 NA PeJP NA NA +PJ046919 SSSEEHR C31H50N12O15 830.3519 NA PeJP NA NA +PJ046920 LEEMFY C39H54N6O12S 830.3521 NA PeJP NA NA +PJ046921 QEMMHR C32H54N12O10S2 830.3528 NA PeJP NA NA +PJ046922 ATMHWW C40H50N10O8S 830.3534 NA PeJP NA NA +PJ046923 PDEERW C36H50N10O13 830.3559 NA PeJP NA NA +PJ046924 VQMMHW C37H54N10O8S2 830.3568 NA PeJP NA NA +PJ046925 SQHHHW C37H46N14O9 830.3572 NA PeJP NA NA +PJ046926 TNHHHW C37H46N14O9 830.3573 NA PeJP NA NA +PJ046927 SSSTMRY C33H54N10O13S 830.3593 NA PeJP NA NA +PJ046928 PVDEWW C41H50N8O11 830.3599 NA PeJP NA NA +PJ046929 GGGAEFFF C41H50N8O11 830.36 NA PeJP NA NA +PJ046930 CKMMRY C34H58N10O8S3 830.3602 NA PeJP NA NA +PJ046931 AAQMHHH C34H50N14O9S 830.3606 NA PeJP NA NA +PJ046932 GSSSSNHR C30H50N14O14 830.3631 NA PeJP NA NA +PJ046933 GGGGGGGQER C30H50N14O14 830.3632 NA PeJP NA NA +PJ046934 APPTEMW C38H54N8O11S 830.3633 NA PeJP NA NA +PJ046935 CEMHRR C31H54N14O9S2 830.364 NA PeJP NA NA +PJ046936 SSSSSTLY C34H54N8O16 830.3658 NA PeJP NA NA +PJ046937 GTTKMMY C35H58N8O11S2 830.3667 NA PeJP NA NA +PJ046938 GSPNDRW C35H50N12O12 830.3671 NA PeJP NA NA +PJ046939 GGGSPDRW C35H50N12O12 830.3672 NA PeJP NA NA +PJ046940 AMMHRW C36H54N12O7S2 830.368 NA PeJP NA NA +PJ046941 GTTEMHR C32H54N12O12S 830.3705 NA PeJP NA NA +PJ046942 GGGGGGGGPKM C32H54N12O12S 830.3706 NA PeJP NA NA +PJ046943 TTTHWW C40H50N10O10 830.3712 NA PeJP NA NA +PJ046944 NMHHHR C33H50N16O8S 830.3719 NA PeJP NA NA +7887 peptide from aS1-casein YFYPEL 830.372 antibacterial Inhouse_peptide NA peptide +MJ095747 Entandrophragmin; Deepoxy C43H58O16 830.372485 NA MeJP NA NA +PJ046945 TKEMHW C37H54N10O10S 830.3745 NA PeJP NA NA +PJ046946 GGGPVQMW C37H54N10O10S 830.3746 NA PeJP NA NA +PJ046947 GQFFFW C45H50N8O8 830.3752 NA PeJP NA NA +PJ046948 APTEEER C33H54N10O15 830.377 NA PeJP NA NA +PJ046949 GGGGPTKEE C33H54N10O15 830.3771 NA PeJP NA NA +PJ046950 APPEMMR C34H58N10O10S2 830.3779 NA PeJP NA NA +MJ095748 Lycopose C36H62O21 830.378359 NA MeJP NA NA +PJ046951 NNNQRW C34H50N14O11 830.3784 NA PeJP NA NA +PJ046952 GKMFYW C42H54N8O8S 830.3786 NA PeJP NA NA +PJ046953 ASSLQYY C38H54N8O13 830.381 NA PeJP NA NA +PJ046954 GPTLEEW C38H54N8O13 830.3811 NA PeJP NA NA +PJ046955 SSCNKHR C31H54N14O11S 830.3817 NA PeJP NA NA +PJ046956 GPCNERR C31H54N14O11S 830.3818 NA PeJP NA NA +PJ046957 GPPLMMW C39H58N8O8S2 830.3819 NA PeJP NA NA +PJ046958 GEHFRW C39H50N12O9 830.3824 NA PeJP NA NA +PJ046959 STTTKMY C35H58N8O13S 830.3844 NA PeJP NA NA +PJ046960 GGPVLEEM C35H58N8O13S 830.3845 NA PeJP NA NA +PJ046961 PLEFYY C43H54N6O11 830.3851 NA PeJP NA NA +PJ046962 KKMMMY C36H62N8O8S3 830.3853 NA PeJP NA NA +PJ046963 TTMHRW C36H54N12O9S 830.3858 NA PeJP NA NA +PJ046964 GVHFWW C44H50N10O7 830.3864 NA PeJP NA NA +PJ046965 STTTEHR C32H54N12O14 830.3883 NA PeJP NA NA +PJ046966 LLEMYY C40H58N6O11S 830.3885 NA PeJP NA NA +PJ046967 ATCLMHR C33H58N12O9S2 830.3891 NA PeJP NA NA +PJ046968 KEMMHR C33H58N12O9S2 830.3892 NA PeJP NA NA +PJ046969 GSTHHHR C33H50N16O10 830.3896 NA PeJP NA NA +PJ046970 LMHHFF C41H54N10O7S 830.3898 NA PeJP NA NA +PJ046971 SSTTLHW C37H54N10O12 830.3923 NA PeJP NA NA +PJ046972 VKMMHW C38H58N10O7S2 830.3932 NA PeJP NA NA +PJ046973 SKHHHW C38H50N14O8 830.3936 NA PeJP NA NA +MJ095749 12-Oleanene-3,15,16,21,22,28-hexol, 21 (or 22)-Angeloyl, 22 (or 21)-tigloyl C40H62O18 830.393615 NA MeJP NA NA +PJ046974 GPLEEMR C34H58N10O12S 830.3957 NA PeJP NA NA +MJ095750 Hymenamide B C42H54N8O10 830.396289 NA MeJP NA NA +PJ046975 PTLEWW C42H54N8O10 830.3963 NA PeJP NA NA +PJ046976 PCNRRW C35H54N14O8S 830.397 NA PeJP NA NA +PJ046977 HFRWW C43H50N12O6 830.3977 NA PeJP NA NA +PJ046978 NQEERR C31H54N14O13 830.3995 NA PeJP NA NA +PJ046979 GPVLEMW C39H58N8O10S 830.3997 NA PeJP NA NA +PJ046980 TMMHRR C32H58N14O8S2 830.4004 NA PeJP NA NA +PJ046981 SPLKEEE C35H58N8O15 830.4022 NA PeJP NA NA +PJ046982 PPVKEMM C36H62N8O10S2 830.4031 NA PeJP NA NA +PJ046983 VNQERW C36H54N12O11 830.4035 NA PeJP NA NA +PJ046984 GGGGLERW C36H54N12O11 830.4036 NA PeJP NA NA +PJ046985 SSTLMHR C33H58N12O11S 830.4069 NA PeJP NA NA +PJ046986 ALQQWW C41H54N10O9 830.4075 NA PeJP NA NA +PJ046987 SPQKWW C41H54N10O9 830.4076 NA PeJP NA NA +PJ046988 GSNNQRR C30H54N16O12 830.4107 NA PeJP NA NA +PJ046989 NDDRRR C30H54N16O12 830.4108 NA PeJP NA NA +PJ046990 PLEMRW C38H58N10O9S 830.4109 NA PeJP NA NA +PJ046991 PPVFWW C46H54N8O7 830.4116 NA PeJP NA NA +MJ095751 3-Hydroxy-27-nor-12-ursen-28-oic acid, 3-O-(2-O-Sulfo-6-deoxy-?-D-glucopyranoside), 28-O-?-D-glucopyranosyl ester C41H66O15S 830.412242 NA MeJP NA NA +PJ046992 GVLEEER C34H58N10O14 830.4134 NA PeJP NA NA +PJ046993 GGGAALKEE C34H58N10O14 830.4135 NA PeJP NA NA +PJ046994 SPPLMMR C35H62N10O9S2 830.4143 NA PeJP NA NA +MJ095752 11-Hydroxytetradecanoic acid, O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-xylopyranoside] C37H66O20 830.414744 NA MeJP NA NA +PJ046995 GQERRW C35H54N14O10 830.4148 NA PeJP NA NA +PJ046996 PVLMWW C43H58N8O7S 830.415 NA PeJP NA NA +MJ095753 N-Deacyltunicamycin; N4''-(12-Methyl-2-tetradecenoyl) C38H62N4O16 830.416081 NA MeJP NA NA +MJ095754 N-Deacyltunicamycin; N4''-(13-Methyl-2-tetradecenoyl) C38H62N4O16 830.416081 NA MeJP NA NA +MJ095755 N-Deacyltunicamycin; N4''-(2-Pentadecenoyl) C38H62N4O16 830.416081 NA MeJP NA NA +PJ046997 SSPLLEW C39H58N8O12 830.4174 NA PeJP NA NA +PJ046998 AALLEEW C39H58N8O12 830.4175 NA PeJP NA NA +PJ046999 GSPQMRR C32H58N14O10S 830.4181 NA PeJP NA NA +PJ047000 GGGPTMRR C32H58N14O10S 830.4182 NA PeJP NA NA +PJ047001 KKMMFF C40H62N8O7S2 830.4183 NA PeJP NA NA +PJ047002 GVQRWW C40H54N12O8 830.4188 NA PeJP NA NA +PJ047003 PVVKEEM C36H62N8O12S 830.4208 NA PeJP NA NA +PJ047004 PLLYYY C44H58N6O10 830.4215 NA PeJP NA NA +PJ047005 PNKMRW C37H58N12O8S 830.4222 NA PeJP NA NA +PJ047006 PTTTQQR C33H58N12O13 830.4246 NA PeJP NA NA +PJ047007 LEEERR C33H58N12O13 830.4247 NA PeJP NA NA +PJ047008 PPCCKKR C34H62N12O8S2 830.4255 NA PeJP NA NA +PJ047009 PEHHRR C34H54N16O9 830.426 NA PeJP NA NA +PJ047010 VLEERW C38H58N10O11 830.4287 NA PeJP NA NA +PJ047011 GSPCRRR C31H58N16O9S 830.4294 NA PeJP NA NA +PJ047012 QRRWW C39H54N14O7 830.43 NA PeJP NA NA +PJ047013 SPLQQKM C35H62N10O11S 830.432 NA PeJP NA NA +PJ047014 SPVLEMR C35H62N10O11S 830.4321 NA PeJP NA NA +PJ047015 VVLEWW C43H58N8O9 830.4327 NA PeJP NA NA +PJ047016 CLHFRR C36H58N14O7S 830.4334 NA PeJP NA NA +PJ047017 NKEERR C32H58N14O12 830.4359 NA PeJP NA NA +PJ047018 APTLLMW C40H62N8O9S 830.4361 NA PeJP NA NA +PJ047019 ALLKEEE C36H62N8O14 830.4386 NA PeJP NA NA +PJ047020 PVLLQMM C37H66N8O9S2 830.4395 NA PeJP NA NA +PJ047021 VNKERW C37H58N12O10 830.4399 NA PeJP NA NA +PJ047022 GPDKKMR C34H62N12O10S 830.4433 NA PeJP NA NA +PJ047023 SPKKWW C42H58N10O8 830.4439 NA PeJP NA NA +PJ047024 GGVVKWW C42H58N10O8 830.444 NA PeJP NA NA +PJ047025 SQERRR C31H58N16O11 830.4471 NA PeJP NA NA +PJ047026 GGGGGSKRR C31H58N16O11 830.4472 NA PeJP NA NA +PJ047027 AAPKKMW C39H62N10O8S 830.4473 NA PeJP NA NA +PJ047028 ATLLEER C35H62N10O13 830.4498 NA PeJP NA NA +PJ047029 APLLMMR C36H66N10O8S2 830.4507 NA PeJP NA NA +PJ047030 GKERRW C36H58N14O9 830.4512 NA PeJP NA NA +PJ047031 GTLLLEW C40H62N8O11 830.4538 NA PeJP NA NA +PJ047032 GGPVLLEF C40H62N8O11 830.4539 NA PeJP NA NA +PJ047033 GSPKMRR C33H62N14O9S 830.4545 NA PeJP NA NA +PJ047034 GVKRWW C41H58N12O7 830.4552 NA PeJP NA NA +PJ047035 PTLLKEM C37H66N8O11S 830.4572 NA PeJP NA NA +PJ047036 LLLFYY C45H62N6O9 830.4579 NA PeJP NA NA +PJ047037 LKMHFR C38H62N12O7S 830.4585 NA PeJP NA NA +PJ047038 SSPKKER C34H62N12O12 830.461 NA PeJP NA NA +PJ047039 AAKKEER C34H62N12O12 830.4611 NA PeJP NA NA +PJ047040 GTRRRW C35H58N16O8 830.4624 NA PeJP NA NA +PJ047041 LQKKEW C39H62N10O10 830.4651 NA PeJP NA NA +PJ047042 VNMRRR C32H62N16O8S 830.4658 NA PeJP NA NA +MJ095756 3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C42H70O16 830.466386 NA MeJP NA NA +MJ095757 Furostane-3,14,17,22,26-pentol, 22-Me ether, 26-Ac, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C42H70O16 830.466386 NA MeJP NA NA +MJ095758 Lankamycin; 15-Ketone C42H70O16 830.466386 NA MeJP NA NA +MJ095759 Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Thevetopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C42H70O16 830.466386 NA MeJP NA NA +PJ047043 KRRWW C40H58N14O6 830.4664 NA PeJP NA NA +PJ047044 VVVVEMR C36H66N10O10S 830.4684 NA PeJP NA NA +PJ047045 GLLLEMR C36H66N10O10S 830.4685 NA PeJP NA NA +PJ047046 TLLLWW C44H62N8O8 830.4691 NA PeJP NA NA +PJ047047 DKKERR C33H62N14O11 830.4723 NA PeJP NA NA +PJ047048 GVLLLMW C41H66N8O8S 830.4725 NA PeJP NA NA +PJ047049 SLLLKEE C37H66N8O13 830.475 NA PeJP NA NA +PJ047050 PVLLKMM C38H70N8O8S2 830.4758 NA PeJP NA NA +PJ047051 VDKKRW C38H62N12O9 830.4763 NA PeJP NA NA +PJ047052 GMRRRR C31H62N18O7S 830.477 NA PeJP NA NA +PJ047053 APTKKMR C35H66N12O9S 830.4797 NA PeJP NA NA +PJ047054 ALKKWW C43H62N10O7 830.4803 NA PeJP NA NA +PJ047055 SKERRR C32H62N16O10 830.4835 NA PeJP NA NA +PJ047056 LLLMRW C40H66N10O7S 830.4837 NA PeJP NA NA +PJ047057 STLLLER C36H66N10O12 830.4862 NA PeJP NA NA +PJ047058 SVKRRW C37H62N14O8 830.4875 NA PeJP NA NA +PJ047059 GAPKFRR C37H62N14O8 830.4876 NA PeJP NA NA +PJ047060 SSLLLLW C41H66N8O10 830.4902 NA PeJP NA NA +PJ047061 LQKMRR C34H66N14O8S 830.4909 NA PeJP NA NA +PJ047062 VVLLKEM C38H70N8O10S 830.4936 NA PeJP NA NA +PJ047063 STRRRR C31H62N18O9 830.4948 NA PeJP NA NA +PJ047064 GTLKKER C35H66N12O11 830.4974 NA PeJP NA NA +PJ047065 GGGKKKKE C35H66N12O11 830.4975 NA PeJP NA NA +PJ047066 LLHHRR C36H62N16O7 830.4988 NA PeJP NA NA +PJ047067 LKKKEW C40H66N10O9 830.5015 NA PeJP NA NA +PJ047068 CLKRRR C33H66N16O7S 830.5022 NA PeJP NA NA +PJ047069 SVLLLMR C37H70N10O9S 830.5048 NA PeJP NA NA +PJ047070 GTTLKRR C34H66N14O10 830.5087 NA PeJP NA NA +PJ047071 ASTTLLLL C38H70N8O12 830.5113 NA PeJP NA NA +PJ047072 GTTTLLLL C38H70N8O12 830.5114 NA PeJP NA NA +PJ047073 TLKKRW C39H66N12O8 830.5127 NA PeJP NA NA +PJ047074 GVLKKMR C36H70N12O8S 830.5161 NA PeJP NA NA +PJ047075 SVLKKKE C37H70N10O11 830.5226 NA PeJP NA NA +PJ047076 PKKFRR C38H66N14O7 830.5239 NA PeJP NA NA +PJ047077 PVVLLKY C42H70N8O9 830.5266 NA PeJP NA NA +PJ047078 LKKMRR C35H70N14O7S 830.5273 NA PeJP NA NA +PJ047079 TLLLLKM C39H74N8O9S 830.53 NA PeJP NA NA +PJ047080 SSLLKKR C36H70N12O10 830.5338 NA PeJP NA NA +PJ047081 GLLLLFR C41H70N10O8 830.5378 NA PeJP NA NA +PJ047082 ALLKKKM C38H74N10O8S 830.5412 NA PeJP NA NA +PJ047083 GSKKKKR C35H70N14O9 830.5451 NA PeJP NA NA +PJ047084 TTLLKKK C38H74N10O10 830.559 NA PeJP NA NA +PJ047085 VVLLLKF C43H74N8O8 830.563 NA PeJP NA NA +PJ047086 ATKKKKK C37H74N12O9 830.5702 NA PeJP NA NA +MJ095760 Crambescidin 830 C46H82N6O7 830.624499 NA MeJP NA NA +EUR1107 SM(d18:1/22:1) [M+FA-H]- C45H89N2O6P 830.650706 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1107 SM(d18:1/22:1) [M+FA-H]- C45H89N2O6P 830.650706 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1107 SM(d18:1/22:1) [M+FA-H]- C45H89N2O6P 830.650706 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1107 SM(d18:1/22:1) [M+FA-H]- C45H89N2O6P 830.650706 masses lipides attendues Inhousejuil11 NA NA +MJ095761 2-Amino-14-methyl-1,3,4-pentadecanetriol, N-(2R-Hydroxydocosanoyl), 1-O-(2-acetamido-2-deoxy-?-D-glucopyranoside) C46H90N2O10 830.659547 NA MeJP NA NA +MJ095762 Amphicerebrosides; Amphicerebroside D C47H94N2O9 830.695932 NA MeJP NA NA +MJ095763 Archaeol; 3''-Hydroxy, 1-O-?-D-glucopyranoside C49H98O9 830.721084 NA MeJP NA NA +HMDB05362 TG(16:0/16:0/18:2(9Z,12Z))[iso3] C53H98O6 830.736328 NA HMDB2010 NA NA +HMDB05377 TG(16:0/16:1(9Z)/18:1(9Z))[iso6] C53H98O6 830.736328 NA HMDB2010 NA NA +HMDB05430 TG(16:1(9Z)/16:1(9Z)/18:0)[iso3] C53H98O6 830.736328 NA HMDB2010 NA NA +HMDB10423 TG(16:1(9Z)/16:0/18:1(11Z))[iso6] C53H98O6 830.736328 NA HMDB2010 NA NA +HMDB10430 TG(18:0/14:0/18:2(9Z,12Z))[iso6] C53H98O6 830.736328 NA HMDB2010 NA NA +HMDB10434 TG(18:1(11Z)/14:0/18:1(11Z))[iso3] C53H98O6 830.736328 NA HMDB2010 NA NA +HMDB10435 TG(18:1(11Z)/14:0/18:1(9Z))[iso6] C53H98O6 830.736328 NA HMDB2010 NA NA +HMDB10448 TG(18:1(9Z)/14:0/18:1(9Z))[iso3] C53H98O6 830.736328 NA HMDB2010 NA NA +HMDB05362 TG(16:0/16:0/18:2(9Z,12Z))[iso3] C53H98O6 830.73633 http://www.hmdb.ca/metabolites/HMDB05362 HMDB NA NA +HMDB05377 TG(16:0/16:1(9Z)/18:1(9Z))[iso6] C53H98O6 830.73633 http://www.hmdb.ca/metabolites/HMDB05377 HMDB NA NA +HMDB05430 TG(16:1(9Z)/16:1(9Z)/18:0)[iso3] C53H98O6 830.73633 http://www.hmdb.ca/metabolites/HMDB05430 HMDB NA NA +HMDB05362 TG(16:0/16:0/18:2(9Z,12Z))[iso3] C53H98O6 830.73633 HMDB05362 PFEM_hmdb_metabocards_official NA NA +HMDB05377 TG(16:0/16:1(9Z)/18:1(9Z))[iso6] C53H98O6 830.73633 HMDB05377 PFEM_hmdb_metabocards_official NA NA +HMDB05430 TG(16:1(9Z)/16:1(9Z)/18:0)[iso3] C53H98O6 830.73633 HMDB05430 PFEM_hmdb_metabocards_official NA NA +MJ095764 Glycerol trialkanoates (diacid, unsymmetrical); Glycerol 1,2-dihexadecanoate 3-(6Z,9Z-octadecadienoate) C53H98O6 830.73634 NA MeJP NA NA +PJ047087 GCCCCNDD C26H41N9O14S4 831.1656 NA PeJP NA NA +PJ047088 SPCCCCCN C27H45N9O11S5 831.1842 NA PeJP NA NA +PJ047089 CCDDDMM C28H45N7O14S4 831.1908 NA PeJP NA NA +PJ047090 GSCCCNDM C27H45N9O13S4 831.202 NA PeJP NA NA +PJ047091 CCDDDDF C31H41N7O16S2 831.2052 NA PeJP NA NA +PJ047092 CCCDDHH C29H41N11O12S3 831.2099 NA PeJP NA NA +PJ047093 SCCCCQW C31H45N9O10S4 831.2172 NA PeJP NA NA +PJ047094 GGTCCCCW C31H45N9O10S4 831.2173 NA PeJP NA NA +PJ047095 SSSCCCNE C27H45N9O15S3 831.2198 NA PeJP NA NA +PJ047096 CCCNQMM C28H49N9O10S5 831.2206 NA PeJP NA NA +PJ047097 SCDDDDY C31H41N7O18S 831.2229 NA PeJP NA NA +PJ047098 PCCCDEY C32H45N7O13S3 831.2238 NA PeJP NA NA +PJ047099 SCDDMMM C29H49N7O13S4 831.2271 NA PeJP NA NA +PJ047100 CCCCNMR C27H49N11O9S5 831.2319 NA PeJP NA NA +FL7AADGL0016 Alatanin 2 C39H43O20 831.23476 131189-51-0 knapsack NA NA +PJ047101 GSSSCCCW C31H45N9O12S3 831.235 NA PeJP NA NA +PJ047102 GSSSSSCCD C27H45N9O17S2 831.2375 NA PeJP NA NA +PJ047103 GSSCCNMM C28H49N9O12S4 831.2384 NA PeJP NA NA +PJ047104 GCDDEMY C32H45N7O15S2 831.2415 NA PeJP NA NA +PJ047105 PCCCEMF C33H49N7O10S4 831.2424 NA PeJP NA NA +PJ047106 CNNDDDH C29H41N11O16S 831.2454 NA PeJP NA NA +PJ047107 GCEMMMM C30H53N7O10S5 831.2458 NA PeJP NA NA +PJ047108 SCCDMHH C30H45N11O11S3 831.2462 NA PeJP NA NA +PJ047109 GSTCCCCR C27H49N11O11S4 831.2496 NA PeJP NA NA +PJ047110 GCCCNFW C35H45N9O9S3 831.2503 NA PeJP NA NA +PJ047111 SDDDDEH C30H41N9O19 831.2519 NA PeJP NA NA +PJ047112 SCCNNEY C31H45N9O14S2 831.2528 NA PeJP NA NA +PJ047113 SCCCCKW C32H49N9O9S4 831.2536 NA PeJP NA NA +PJ047114 SSSSCCQM C28H49N9O14S3 831.2561 NA PeJP NA NA +PJ047115 CDDMYW C36H45N7O12S2 831.2568 NA PeJP NA NA +PJ047116 CCCNKMM C29H53N9O9S5 831.257 NA PeJP NA NA +MJ095765 Perdeacylhypoglaunine; 8-(3-Furancarbonyl), 1,6,9,14-tetra-Ac C39H45NO19 831.258578 NA MeJP NA NA +MJ095766 Perdeacylwilfortrine; 2-O-(3-Furancarbonyl), 6,8,9,14-tetra-Ac C39H45NO19 831.258578 NA MeJP NA NA +PJ047117 SSDDDMY C32H45N7O17S 831.2593 NA PeJP NA NA +PJ047118 SPCCEMY C33H49N7O12S3 831.2602 NA PeJP NA NA +PJ047119 CMMMMW C34H53N7O7S5 831.261 NA PeJP NA NA +PJ047120 SSDMMMM C30H53N7O12S4 831.2635 NA PeJP NA NA +PJ047121 GSPCCNDH C30H45N11O13S2 831.264 NA PeJP NA NA +PJ047122 ACCMMHH C31H49N11O8S4 831.2649 NA PeJP NA NA +PJ047123 SSSSCCCR C27H49N11O13S3 831.2674 NA PeJP NA NA +PJ047124 GSCCNYW C35H45N9O11S2 831.268 NA PeJP NA NA +PJ047125 GSSSCNDY C31H45N9O16S 831.2705 NA PeJP NA NA +PJ047126 GGGPPCDDD C31H45N9O16S 831.2706 NA PeJP NA NA +PJ047127 GCNNMMY C32H49N9O11S3 831.2714 NA PeJP NA NA +PJ047128 GSSSSSSCM C28H49N9O16S2 831.2739 NA PeJP NA NA +PJ047129 GPCDDYY C36H45N7O14S 831.2746 NA PeJP NA NA +PJ047130 GSTCCCKM C29H53N9O11S4 831.2748 NA PeJP NA NA +PJ047131 CCNNNQH C29H45N13O12S2 831.2752 NA PeJP NA NA +PJ047132 GGGGGGCCQH C29H45N13O12S2 831.2753 NA PeJP NA NA +PJ047133 CDMMFW C37H49N7O9S3 831.2754 NA PeJP NA NA +PJ047134 GSDEMMY C33H49N7O14S2 831.2779 NA PeJP NA NA +PJ047135 GPCMMMY C34H53N7O9S4 831.2788 NA PeJP NA NA +PJ047136 GCCEHHF C34H45N11O10S2 831.2793 NA PeJP NA NA +PJ047137 SNNDDMH C30H45N11O15S 831.2818 NA PeJP NA NA +PJ047138 GTMMMMM C31H57N7O9S5 831.2822 NA PeJP NA NA +PJ047139 GCCCQRY C31H49N11O10S3 831.2826 NA PeJP NA NA +PJ047140 GGGAPCCMH C31H49N11O10S3 831.2827 NA PeJP NA NA +PJ047141 DDEMHW C35H45N9O13S 831.2858 NA PeJP NA NA +PJ047142 SSDEEEH C31H45N9O18 831.2883 NA PeJP NA NA +PJ047143 SSCNQMY C32H49N9O13S2 831.2891 NA PeJP NA NA +PJ047144 GGSSCQMY C32H49N9O13S2 831.2892 NA PeJP NA NA +PJ047145 GDDDHHH C32H41N13O14 831.2896 NA PeJP NA NA +PJ047146 CDDFFW C40H45N7O11S 831.2898 NA PeJP NA NA +PJ047147 SSSSSSSTC C28H49N9O18S 831.2916 NA PeJP NA NA +PJ047148 NDEEYY C36H45N7O16 831.2923 NA PeJP NA NA +PJ047149 SSSSCCKM C29H53N9O13S3 831.2925 NA PeJP NA NA +PJ047150 GSSCNNNH C29H45N13O14S 831.293 NA PeJP NA NA +PJ047151 SDMMYW C37H49N7O11S2 831.2932 NA PeJP NA NA +PJ047152 PCCCNHR C30H49N13O9S3 831.2939 NA PeJP NA NA +PJ047153 CCHHFW C38H45N11O7S2 831.2945 NA PeJP NA NA +PJ047154 SSSEEMY C33H49N7O16S 831.2957 NA PeJP NA NA +PJ047155 QEMMMY C34H53N7O11S3 831.2965 NA PeJP NA NA +PJ047156 ACCLEMY C34H53N7O11S3 831.2966 NA PeJP NA NA +PJ047157 GSCNEHW C34H45N11O12S 831.297 NA PeJP NA NA +MJ095767 Hodydamycin C40H50ClN3O14 831.298131 NA MeJP NA NA +PJ047158 GSSSNDEH C30H45N11O17 831.2995 NA PeJP NA NA +PJ047159 GGGGGGGSPDD C30H45N11O17 831.2996 NA PeJP NA NA +PJ047160 STTMMMM C31H57N7O11S4 831.2999 NA PeJP NA NA +PJ047161 SSCCNRY C31H49N11O12S2 831.3004 NA PeJP NA NA +PJ047162 GPNDDEW C35H45N9O15 831.3035 NA PeJP NA NA +PJ047163 GGGPDDEW C35H45N9O15 831.3036 NA PeJP NA NA +PJ047164 GCNNMFF C36H49N9O10S2 831.3044 NA PeJP NA NA +PJ047165 GSSSSNMY C32H49N9O15S 831.3069 NA PeJP NA NA +PJ047166 GDEYYW C40H45N7O13 831.3076 NA PeJP NA NA +PJ047167 CEMMRY C33H53N9O10S3 831.3078 NA PeJP NA NA +PJ047168 SPCDHHH C33H45N13O11S 831.3083 NA PeJP NA NA +PJ047169 NNNNNNE C29H45N13O16 831.3107 NA PeJP NA NA +PJ047170 GGNNNNNE C29H45N13O16 831.3108 NA PeJP NA NA +PJ047171 GSPDMYY C37H49N7O13S 831.3109 NA PeJP NA NA +PJ047172 GCNDMHR C30H49N13O11S2 831.3116 NA PeJP NA NA +PJ047173 GGGGGGCCKH C30H49N13O11S2 831.3117 NA PeJP NA NA +PJ047174 AMMMYW C38H53N7O8S3 831.3118 NA PeJP NA NA +PJ047175 SCNHWW C38H45N11O9S 831.3123 NA PeJP NA NA +PJ047176 APEEEEE C33H49N7O18 831.3134 NA PeJP NA NA +PJ047177 PVDDEEE C33H49N7O18 831.3135 NA PeJP NA NA +PJ047178 GTTEMMY C34H53N7O13S2 831.3143 NA PeJP NA NA +PJ047179 SSSNDHW C34H45N11O14 831.3148 NA PeJP NA NA +PJ047180 AAMMMMF C35H57N7O8S4 831.3152 NA PeJP NA NA +PJ047181 NNMMHW C35H49N11O9S2 831.3156 NA PeJP NA NA +MJ095768 Eptifibatide C35H49N11O9S2 831.315613 NA MeJP NA NA +PJ047182 GGNMMHW C35H49N11O9S2 831.3157 NA PeJP NA NA +PJ047183 SSNQEMH C31H49N11O14S 831.3181 NA PeJP NA NA +PJ047184 GGSSQEMH C31H49N11O14S 831.3182 NA PeJP NA NA +PJ047185 PNDDWW C39H45N9O12 831.3188 NA PeJP NA NA +PJ047186 GCCCKRY C32H53N11O9S3 831.319 NA PeJP NA NA +PJ047187 GCNQHHH C32H45N15O10S 831.3195 NA PeJP NA NA +PJ047188 TEEMHW C36H49N9O12S 831.3222 NA PeJP NA NA +PJ047189 DYYWW C44H45N7O10 831.3228 NA PeJP NA NA +PJ047190 PMMMHW C37H53N9O7S3 831.323 NA PeJP NA NA +PJ047191 SSSSSSQY C32H49N9O17 831.3246 NA PeJP NA NA +PJ047192 SSSSSTNY C32H49N9O17 831.3247 NA PeJP NA NA +PJ047193 SSCNKMY C33H53N9O12S2 831.3255 NA PeJP NA NA +PJ047194 VVCDEMH C33H53N9O12S2 831.3256 NA PeJP NA NA +PJ047195 GNNNNNW C33H45N13O13 831.326 NA PeJP NA NA +PJ047196 GGGGGGGGGGGW C33H45N13O13 831.3261 NA PeJP NA NA +PJ047197 PTCYYW C41H49N7O10S 831.3262 NA PeJP NA NA +PJ047198 CCQHRW C34H49N13O8S2 831.3269 NA PeJP NA NA +PJ047199 TQEEYY C37H49N7O15 831.3287 NA PeJP NA NA +PJ047200 SSCNEHR C30H49N13O13S 831.3294 NA PeJP NA NA +PJ047201 TTMMYW C38H53N7O10S2 831.3296 NA PeJP NA NA +PJ047202 NNDHFW C38H45N11O11 831.33 NA PeJP NA NA +PJ047203 GGGGDHFW C38H45N11O11 831.3301 NA PeJP NA NA +MJ095769 Marcellomycin; N-De-Me C41H53NO17 831.331349 NA MeJP NA NA +PJ047204 STTTEMY C34H53N7O15S 831.332 NA PeJP NA NA +PJ047205 TTTTDMY C34H53N7O15S 831.3321 NA PeJP NA NA +PJ047206 KEMMMY C35H57N7O10S3 831.3329 NA PeJP NA NA +PJ047207 GSSQMHW C35H49N11O11S 831.3334 NA PeJP NA NA +PJ047208 SPNDDER C31H49N11O16 831.3359 NA PeJP NA NA +PJ047209 EEMMHR C32H53N11O11S2 831.3368 NA PeJP NA NA +PJ047210 SSNNHHH C32H45N15O12 831.3372 NA PeJP NA NA +PJ047211 GGSSNHHH C32H45N15O12 831.3373 NA PeJP NA NA +PJ047212 GSPPCWW C40H49N9O9S 831.3374 NA PeJP NA NA +PJ047213 GSPQEEW C36H49N9O14 831.3399 NA PeJP NA NA +PJ047214 VEMMHW C37H53N9O9S2 831.3408 NA PeJP NA NA +PJ047215 SEHHHW C37H45N13O10 831.3413 NA PeJP NA NA +PJ047216 MFYWW C45H49N7O7S 831.3414 NA PeJP NA NA +PJ047217 GSSSTCKY C33H53N9O14S 831.3433 NA PeJP NA NA +PJ047218 ATEYYW C41H49N7O12 831.3439 NA PeJP NA NA +PJ047219 GGEEFFF C41H49N7O12 831.344 NA PeJP NA NA +PJ047220 TMMMRY C34H57N9O9S3 831.3442 NA PeJP NA NA +PJ047221 GSSCHRW C34H49N13O10S 831.3446 NA PeJP NA NA +PJ047222 GVDMHHH C34H49N13O10S 831.3447 NA PeJP NA NA +PJ047223 AMMFFW C42H53N7O7S2 831.3448 NA PeJP NA NA +C10579 Cephalomannine C45H53NO14 831.3466 NA KEGG NA NA +MJ095770 Taxol?; 2-Debenzoyl, 2-tigloyl C45H53NO14 831.346605 NA MeJP NA NA +MJ095771 Taxol?; 7-Epimer, N-debenzoyl, N-tigloyl C45H53NO14 831.346605 NA MeJP NA NA +MJ095772 Taxol?; N-Debenzoyl, N-tigloyl C45H53NO14 831.346605 NA MeJP NA NA +PJ047224 GSSSSDHR C30H49N13O15 831.3471 NA PeJP NA NA +PJ047225 GGGNNEER C30H49N13O15 831.3472 NA PeJP NA NA +PJ047226 VQEMYY C38H53N7O12S 831.3473 NA PeJP NA NA +PJ047227 GSNMMHR C31H53N13O10S2 831.348 NA PeJP NA NA +PJ047228 NMHHFF C39H49N11O8S 831.3487 NA PeJP NA NA +PJ047229 SPLEEEE C34H53N7O17 831.3498 NA PeJP NA NA +PJ047230 SSTLMMY C35H57N7O12S2 831.3507 NA PeJP NA NA +PJ047231 SSTTHHY C35H49N11O13 831.3511 NA PeJP NA NA +PJ047232 GSPDDRW C35H49N11O13 831.3512 NA PeJP NA NA +PJ047233 APPCCRW C36H53N11O8S2 831.352 NA PeJP NA NA +PJ047234 GPNEEMR C32H53N11O13S 831.3545 NA PeJP NA NA +PJ047235 GGGPEEMR C32H53N11O13S 831.3546 NA PeJP NA NA +PJ047236 SPQEWW C40H49N9O11 831.3552 NA PeJP NA NA +PJ047237 DMHHHR C33H49N15O9S 831.3559 NA PeJP NA NA +PJ047238 SNNNNNR C29H49N15O14 831.3584 NA PeJP NA NA +PJ047239 SSPPQMW C37H53N9O11S 831.3585 NA PeJP NA NA +PJ047240 AAPQEMW C37H53N9O11S 831.3586 NA PeJP NA NA +PJ047241 GPFYYW C45H49N7O9 831.3592 NA PeJP NA NA +PJ047242 GTCCHRR C30H53N15O9S2 831.3593 NA PeJP NA NA +PJ047243 CLHHHW C38H49N13O7S 831.3599 NA PeJP NA NA +3689 NA FEWNYVEFSWASV 831.36045 MH2+ Inhouse_peptide NA peptide +PJ047244 SSSSSSKY C33H53N9O16 831.361 NA PeJP NA NA +PJ047245 SPNKEEE C33H53N9O16 831.3611 NA PeJP NA NA +PJ047246 STCCKKY C34H57N9O11S2 831.3619 NA PeJP NA NA +PJ047247 NNNERW C34H49N13O12 831.3624 NA PeJP NA NA +PJ047248 GLMYYW C42H53N7O9S 831.3626 NA PeJP NA NA +PJ047249 CCKHRW C35H53N13O7S2 831.3633 NA PeJP NA NA +PJ047250 QHHHHH C35H45N17O8 831.3637 NA PeJP NA NA +PJ047251 GAHHHHH C35H45N17O8 831.3638 NA PeJP NA NA +PJ047252 TKEEYY C38H53N7O14 831.3651 NA PeJP NA NA +PJ047253 GPCDERR C31H53N13O12S 831.3658 NA PeJP NA NA +PJ047254 PKMMYY C39H57N7O9S2 831.3659 NA PeJP NA NA +PJ047255 GALMMFY C39H57N7O9S2 831.366 NA PeJP NA NA +PJ047256 GQQQWW C39H49N11O10 831.3664 NA PeJP NA NA +PJ047257 PVVEEEM C35H57N7O14S 831.3685 NA PeJP NA NA +PJ047258 PNEMRW C36H53N11O10S 831.3698 NA PeJP NA NA +PJ047259 GPTWWW C44H49N9O8 831.3704 NA PeJP NA NA +PJ047260 AAQEEER C32H53N11O15 831.3723 NA PeJP NA NA +PJ047261 SPPNMMR C33H57N11O10S2 831.3732 NA PeJP NA NA +PJ047262 GPNDHHR C33H49N15O11 831.3736 NA PeJP NA NA +PJ047263 GGGPDHHR C33H49N15O11 831.3737 NA PeJP NA NA +PJ047264 PVNMWW C41H53N9O8S 831.3738 NA PeJP NA NA +PJ047265 FFFWW C49H49N7O6 831.3745 NA PeJP NA NA +PJ047266 GSPKEEW C37H53N9O13 831.3763 NA PeJP NA NA +PJ047267 SSSCHRR C30H53N15O11S 831.377 NA PeJP NA NA +PJ047268 APPCKMW C38H57N9O8S2 831.3772 NA PeJP NA NA +PJ047269 GNNRWW C38H49N13O9 831.3777 NA PeJP NA NA +PJ047270 TTTLEMH C34H57N9O13S 831.3797 NA PeJP NA NA +PJ047271 STLYYW C42H53N7O11 831.3803 NA PeJP NA NA +PJ047272 GLLMMMH C35H61N9O8S3 831.3806 NA PeJP NA NA +PJ047273 PCDRRW C35H53N13O9S 831.381 NA PeJP NA NA +PJ047274 NEEERR C31H53N13O14 831.3835 NA PeJP NA NA +PJ047275 GGGGGGSVER C31H53N13O14 831.3836 NA PeJP NA NA +PJ047276 VKEMYY C39H57N7O11S 831.3837 NA PeJP NA NA +7882 peptide from tropomyosin, pork muscles DAQEKLE 831.3839 antibacterial Inhouse_peptide NA peptide +PJ047277 PPTCCRR C32H57N13O9S2 831.3844 NA PeJP NA NA +PJ047278 GPMRWW C40H53N11O7S 831.3851 NA PeJP NA NA +31 Myofibrillar DAQEKLE 831.386 celiac toxic Inhouse_peptide NA peptide +PJ047279 ALLEEEE C35H57N7O16 831.3862 NA PeJP NA NA +PJ047280 VNEERW C36H53N11O12 831.3875 NA PeJP NA NA +PJ047281 GGVEERW C36H53N11O12 831.3876 NA PeJP NA NA +PJ047282 CKKMHW C37H57N11O7S2 831.3884 NA PeJP NA NA +PJ047283 APPHHHH C37H49N15O8 831.3889 NA PeJP NA NA +PJ047284 GPDKEMR C33H57N11O12S 831.3909 NA PeJP NA NA +PJ047285 GGGGGGGGLLM C33H57N11O12S 831.391 NA PeJP NA NA +PJ047286 SPKEWW C41H53N9O10 831.3916 NA PeJP NA NA +PJ047287 CNHFRR C34H53N15O8S 831.3923 NA PeJP NA NA +PJ047288 DDDRRR C30H53N15O13 831.3948 NA PeJP NA NA +PJ047289 AAPKEMW C38H57N9O10S 831.3949 NA PeJP NA NA +PJ047290 GPVDKMW C38H57N9O10S 831.395 NA PeJP NA NA +PJ047291 GLFFYW C46H53N7O8 831.3956 NA PeJP NA NA +PJ047292 GLQKEEE C34H57N9O15 831.3974 NA PeJP NA NA +PJ047293 GGALKEEE C34H57N9O15 831.3975 NA PeJP NA NA +7420 coeliac toxic peptide PQQPFPQPQQPFPQ 831.398 MH2+ Inhouse_peptide NA peptide +PJ047294 STLLMMH C35H61N9O10S2 831.3983 NA PeJP NA NA +PJ047295 GEERRW C35H53N13O11 831.3988 NA PeJP NA NA +PJ047296 PKMFFY C43H57N7O8S 831.399 NA PeJP NA NA +PJ047297 KHHHHH C36H49N17O7 831.4001 NA PeJP NA NA +PJ047298 SSSILYY C39H57N7O13 831.4014 NA PeJP NA NA +PJ047299 SSSLLYY C39H57N7O13 831.4015 NA PeJP NA NA +PJ047300 SSSKMHR C32H57N13O11S 831.4021 NA PeJP NA NA +PJ047301 GSPEMRR C32H57N13O11S 831.4022 NA PeJP NA NA +PJ047302 LKMMFY C40H61N7O8S2 831.4023 NA PeJP NA NA +PJ047303 GVERWW C40H53N11O9 831.4028 NA PeJP NA NA +PJ047304 PTLLEEM C36H61N7O13S 831.4048 NA PeJP NA NA +PJ047305 PPLLMMM C37H65N7O8S3 831.4057 NA PeJP NA NA +PJ047306 PDKMRW C37H57N11O9S 831.4062 NA PeJP NA NA +PJ047307 AALWWW C45H53N9O7 831.4068 NA PeJP NA NA +PJ047308 AAKEEER C33H57N11O14 831.4087 NA PeJP NA NA +PJ047309 ASKKMMH C34H61N11O9S2 831.4095 NA PeJP NA NA +PJ047310 GPLQMMR C34H61N11O9S2 831.4096 NA PeJP NA NA +PJ047311 SNNRRW C34H53N15O10 831.41 NA PeJP NA NA +PJ047312 PCLKWW C42H57N9O7S 831.4102 NA PeJP NA NA +PJ047313 LQKEEW C38H57N9O12 831.4127 NA PeJP NA NA +PJ047314 NQQMRR C31H57N15O10S 831.4134 NA PeJP NA NA +PJ047315 ERRWW C39H53N13O8 831.414 NA PeJP NA NA +PJ047316 GAPKHHW C39H53N13O8 831.4141 NA PeJP NA NA +PJ047317 APKKEEM C35H61N9O12S 831.4161 NA PeJP NA NA +PJ047318 PVKYYY C43H57N7O10 831.4167 NA PeJP NA NA +PJ047319 SPMRRW C36H57N13O8S 831.4174 NA PeJP NA NA +PJ047320 VRWWW C44H53N11O6 831.4181 NA PeJP NA NA +PJ047321 DKEERR C32H57N13O13 831.4199 NA PeJP NA NA +PJ047322 PPVLEMF C40H61N7O10S 831.4201 NA PeJP NA NA +PJ047323 AAPMMRR C33H61N13O8S2 831.4208 NA PeJP NA NA +PJ047324 SLLLEEE C36H61N7O15 831.4226 NA PeJP NA NA +PJ047325 PVLLEMM C37H65N7O10S2 831.4235 NA PeJP NA NA +PJ047326 VDKERW C37H57N11O11 831.4239 NA PeJP NA NA +PJ047327 GGAADKKW C37H57N11O11 831.424 NA PeJP NA NA +PJ047328 CNQRRR C30H57N17O9S 831.4246 NA PeJP NA NA +PJ047329 VHHHFR C38H53N15O7 831.4253 NA PeJP NA NA +PJ047330 APTKEMR C34H61N11O11S 831.4273 NA PeJP NA NA +PJ047331 SLLQWW C42H57N9O9 831.4279 NA PeJP NA NA +PJ047332 ALKEWW C42H57N9O9 831.428 NA PeJP NA NA +PJ047333 GSNDKRR C31H57N15O12 831.4311 NA PeJP NA NA +PJ047334 SEERRR C31H57N15O12 831.4312 NA PeJP NA NA +PJ047335 GPTLKMW C39H61N9O9S 831.4313 NA PeJP NA NA +PJ047336 PKFFFF C47H57N7O7 831.432 NA PeJP NA NA +PJ047337 GLKKEEE C35H61N9O14 831.4338 NA PeJP NA NA +PJ047338 PPTKKMM C36H65N9O9S2 831.4347 NA PeJP NA NA +PJ047339 SVERRW C36H57N13O10 831.4352 NA PeJP NA NA +PJ047340 LKMFFF C44H61N7O7S 831.4354 NA PeJP NA NA +PJ047341 PPTILEY C40H61N7O12 831.4378 NA PeJP NA NA +PJ047342 PPTLLEY C40H61N7O12 831.4379 NA PeJP NA NA +PJ047343 LQEMRR C33H61N13O10S 831.4385 NA PeJP NA NA +PJ047344 GALEMRR C33H61N13O10S 831.4386 NA PeJP NA NA +PJ047345 ATLRWW C41H57N11O8 831.4392 NA PeJP NA NA +PJ047346 VVLLEEM C37H65N7O12S 831.4412 NA PeJP NA NA +PJ047347 GSSNRRR C30H57N17O11 831.4424 NA PeJP NA NA +PJ047348 VLQMRW C38H61N11O8S 831.4426 NA PeJP NA NA +PJ047349 VTTQQQK C34H61N11O13 831.445 NA PeJP NA NA +PJ047350 GTLKEER C34H61N11O13 831.4451 NA PeJP NA NA +PJ047351 GPLKMMR C35H65N11O8S2 831.4459 NA PeJP NA NA +PJ047352 GPTKHHR C35H57N15O9 831.4464 NA PeJP NA NA +PJ047353 LKKEEW C39H61N9O11 831.4491 NA PeJP NA NA +PJ047354 VDMRRR C32H61N15O9S 831.4498 NA PeJP NA NA +PJ047355 APFRRW C40H57N13O7 831.4504 NA PeJP NA NA +PJ047356 SPLKKEM C36H65N9O11S 831.4525 NA PeJP NA NA +PJ047357 VLKFYY C44H61N7O9 831.4531 NA PeJP NA NA +PJ047358 ALMRRW C37H61N13O7S 831.4538 NA PeJP NA NA +PJ047359 GTTLERR C33H61N13O12 831.4563 NA PeJP NA NA +PJ047360 PPVLLMY C41H65N7O9S 831.4565 NA PeJP NA NA +PJ047361 VQHHRR C34H57N17O8 831.4576 NA PeJP NA NA +PJ047362 GGLHHRR C34H57N17O8 831.4577 NA PeJP NA NA +PJ047363 TLKERW C38H61N11O10 831.4603 NA PeJP NA NA +PJ047364 CNKRRR C31H61N17O8S 831.461 NA PeJP NA NA +PJ047365 GVLKEMR C35H65N11O10S 831.4637 NA PeJP NA NA +PJ047366 SLLKWW C43H61N9O8 831.4643 NA PeJP NA NA +PJ047367 GPVVKFW C43H61N9O8 831.4644 NA PeJP NA NA +PJ047368 GSTQKRR C32H61N15O11 831.4675 NA PeJP NA NA +PJ047369 AALLKMW C40H65N9O8S 831.4677 NA PeJP NA NA +PJ047370 AHHRRR C33H57N19O7 831.4689 NA PeJP NA NA +PJ047371 SVLKKEE C36H65N9O13 831.4702 NA PeJP NA NA +PJ047372 PVVKKMM C37H69N9O8S2 831.4711 NA PeJP NA NA +PJ047373 TTLRRW C37H61N13O9 831.4716 NA PeJP NA NA +PJ047374 PVVLLEY C41H65N7O11 831.4742 NA PeJP NA NA +PJ047375 LKEMRR C34H65N13O9S 831.4749 NA PeJP NA NA +PJ047376 GKKKWW C42H61N11O7 831.4756 NA PeJP NA NA +PJ047377 TLLLLEM C38H69N7O11S 831.4776 NA PeJP NA NA +PJ047378 VLKMRW C39H65N11O7S 831.4789 NA PeJP NA NA +PJ047379 SSLLKER C35H65N11O12 831.4814 NA PeJP NA NA +PJ047380 VVTTKER C35H65N11O12 831.4815 NA PeJP NA NA +PJ047381 PTFRRR C36H61N15O8 831.4828 NA PeJP NA NA +PJ047382 ATTLLKW C40H65N9O10 831.4855 NA PeJP NA NA +PJ047383 TLMRRR C33H65N15O8S 831.4862 NA PeJP NA NA +PJ047384 ALLKKEM C37H69N9O10S 831.4888 NA PeJP NA NA +PJ047385 VVVKKEM C37H69N9O10S 831.4889 NA PeJP NA NA +PJ047386 PPVLLFF C45H65N7O8 831.4895 NA PeJP NA NA +PJ047387 SSTLLRR C34H65N13O11 831.4927 NA PeJP NA NA +PJ047388 PVLLLMF C42H69N7O8S 831.4929 NA PeJP NA NA +PJ047389 VKHHRR C35H61N17O7 831.494 NA PeJP NA NA +PJ047390 VLLLLMM C39H73N7O8S2 831.4962 NA PeJP NA NA +PJ047391 DKKKKW C39H65N11O9 831.4967 NA PeJP NA NA +PJ047392 ATLLKMR C36H69N11O9S 831.5001 NA PeJP NA NA +PJ047393 GSTKKRR C33H65N15O10 831.5039 NA PeJP NA NA +HMDB12406 PS(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H74NO10P 831.505005 NA HMDB2010 NA NA +HMDB12438 PS(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) C46H74NO10P 831.505005 NA HMDB2010 NA NA +HMDB12446 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) C46H74NO10P 831.505005 NA HMDB2010 NA NA +PJ047394 TTLLKKE C37H69N9O12 831.5066 NA PeJP NA NA +PJ047395 SKKKRW C38H65N13O8 831.5079 NA PeJP NA NA +PJ047396 PTLLLLY C42H69N7O10 831.5106 NA PeJP NA NA +PJ047397 AAKKKMR C35H69N13O8S 831.5113 NA PeJP NA NA +PJ047398 TTTLLKR C36H69N11O11 831.5178 NA PeJP NA NA +PJ047399 VVFRRR C37H65N15O7 831.5192 NA PeJP NA NA +PJ047400 APLLKKY C41H69N9O9 831.5219 NA PeJP NA NA +PJ047401 SLLLKKM C38H73N9O9S 831.5252 NA PeJP NA NA +PJ047402 ATTKKKR C35H69N13O10 831.5291 NA PeJP NA NA +PJ047403 GVLLKFR C40H69N11O8 831.5331 NA PeJP NA NA +PJ047404 GLKKKKM C37H73N11O8S 831.5365 NA PeJP NA NA +PJ047405 LLKFRR C39H69N13O7 831.5443 NA PeJP NA NA +PJ047406 VVLLLLY C43H73N7O9 831.547 NA PeJP NA NA +PJ047407 STLKKKK C37H73N11O10 831.5542 NA PeJP NA NA +PJ047408 ALLLKKF C42H73N9O8 831.5582 NA PeJP NA NA +EUR995 PC 38:4 [M+Na]+ C46H84NO8P 831.575403 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR995 PC 38:4 [M+Na]+ C46H84NO8P 831.575403 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR995 PC 38:4 [M+Na]+ C46H84NO8P 831.575403 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR995 PC 38:4 [M+Na]+ C46H84NO8P 831.575403 masses lipides attendues Inhousejuil11 NA NA +EUR1019 PC 40:7 monoisotopic mass C48H82NO8P 831.577807 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1019 PC 40:7 monoisotopic mass C48H82NO8P 831.577807 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1019 PC 40:7 monoisotopic mass C48H82NO8P 831.577807 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1019 PC 40:7 monoisotopic mass C48H82NO8P 831.577807 masses lipides attendues Inhousejuil11 NA NA +HMDB08090 PC(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08123 PC(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08154 PC(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08155 PC(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08186 PC(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08219 PC(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08347 PC(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08378 PC(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08379 PC(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08410 PC(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08411 PC(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08441 PC(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08442 PC(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08474 PC(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08475 PC(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08506 PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08632 PC(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08633 PC(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08664 PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08697 PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08728 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +HMDB08729 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) C48H82NO8P 831.57782 NA HMDB2010 NA NA +EUR967 PC 36:2 [M+FA-H]- C44H84NO8P 831.598337 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR967 PC 36:2 [M+FA-H]- C44H84NO8P 831.598337 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR967 PC 36:2 [M+FA-H]- C44H84NO8P 831.598337 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR967 PC 36:2 [M+FA-H]- C44H84NO8P 831.598337 masses lipides attendues Inhousejuil11 NA NA +EUR1130 SM(d18:1/24:4) [M+Na]+ C47H90N2O6P 831.635597 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1130 SM(d18:1/24:4) [M+Na]+ C47H90N2O6P 831.635597 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1130 SM(d18:1/24:4) [M+Na]+ C47H90N2O6P 831.635597 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1130 SM(d18:1/24:4) [M+Na]+ C47H90N2O6P 831.635597 masses lipides attendues Inhousejuil11 NA NA +HMDB07959 PC(15:0/24:0) C47H94NO8P 831.671692 NA HMDB2010 NA NA +HMDB09013 PE(18:0/24:0) C47H94NO8P 831.671692 NA HMDB2010 NA NA +HMDB09237 PE(20:0/22:0) C47H94NO8P 831.671692 NA HMDB2010 NA NA +HMDB09493 PE(22:0/20:0) C47H94NO8P 831.671692 NA HMDB2010 NA NA +HMDB09717 PE(24:0/18:0) C47H94NO8P 831.671692 NA HMDB2010 NA NA +MJ095773 2-Amino-1,3,4-heptadecanetriol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-galactopyranoside C47H93NO10 831.679948 NA MeJP NA NA +MJ095774 2-Amino-1,3,4-octadecanetriol, N-(2R-Hydroxytricosanoyl), 1-O-?-D-glucopyranoside C47H93NO10 831.679948 NA MeJP NA NA +MJ095775 Astrocerebrosides; Astrocerebroside C C47H93NO10 831.679948 NA MeJP NA NA +HMDB13421 PC(o-18:0/22:0) C48H98NO7P 831.708069 NA HMDB2010 NA NA +HMDB13441 PC(o-20:0/20:0) C48H98NO7P 831.708069 NA HMDB2010 NA NA +MJ095776 N,N'-Bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]urea C19H20I4N2O3 831.765266 NA MeJP NA NA +HMDB06502 P1,P4-Bis(5'-adenosyl) tetraphosphate C20H24N10O19P4 832.016968 NA HMDB2010 NA NA +HMDB06502 P1,P4-Bis(5'-adenosyl) tetraphosphate C20H24N10O19P4 832.01697 http://www.hmdb.ca/metabolites/HMDB06502 HMDB NA NA +HMDB06502 P1,P4-Bis(5'-adenosyl) tetraphosphate C20H24N10O19P4 832.01697 HMDB06502 PFEM_hmdb_metabocards_official NA NA +PJ047409 GCCCCDDD C26H40N8O15S4 832.1496 NA PeJP NA NA +PJ047410 SPCCCCCD C27H44N8O12S5 832.1683 NA PeJP NA NA +FL5FECGS0064 Quercetagetin 7-methyl ether 3-(2'''-caffeoylglucosyl)-(1->2)-glucuronide C37H36O22 832.16982 - knapsack NA NA +MJ095777 3,3',4',5,6,7-Hexahydroxyflavone; 7-Me ether, 3-O-[3,4-dihydroxycinnamoyl-(?2)-?-D-glucopyranosyl-(1?4)-?-D-glucuronopyranoside] C37H36O22 832.169822 NA MeJP NA NA +PJ047411 GCCCCCNQ C26H44N10O11S5 832.1795 NA PeJP NA NA +PJ047412 GSCCCDDM C27H44N8O14S4 832.186 NA PeJP NA NA +PJ047413 APCCCCCM C28H48N8O9S6 832.1869 NA PeJP NA NA +PJ047414 SSCCCCNN C26H44N10O13S4 832.1972 NA PeJP NA NA +PJ047415 GGSSCCCCN C26H44N10O13S4 832.1973 NA PeJP NA NA +PJ047416 SCCCCEW C31H44N8O11S4 832.2013 NA PeJP NA NA +PJ047417 SSSCCCDE C27H44N8O16S3 832.2038 NA PeJP NA NA +PJ047418 CCCNEMM C28H48N8O11S5 832.2046 NA PeJP NA NA +PJ047419 GGCCCEMM C28H48N8O11S5 832.2047 NA PeJP NA NA +FL5FACGA0037 Quercetin 3-(6'''-sinapylglucosyl)(1->2)-galactoside C38H40O21 832.2062 168781-62-2 knapsack NA NA +MJ095778 Hyperin; 2''-O-[(4-Hydroxy-3,5-dimethoxycinnamoyl)-(?6)-?-D-glucopyranosyl] C38H40O21 832.206208 NA MeJP NA NA +PJ047420 CCCCDMR C27H48N10O10S5 832.2159 NA PeJP NA NA +MJ095779 Ulithiacyclamide E C35H44N8O8S4 832.216493 NA MeJP NA NA +PJ047421 CCCNDEF C31H44N8O13S3 832.219 NA PeJP NA NA +PJ047422 GCCCMMW C32H48N8O8S5 832.2199 NA PeJP NA NA +PJ047423 GSSCCDMM C28H48N8O13S4 832.2224 NA PeJP NA NA +PJ047424 CCCCQHH C29H44N12O9S4 832.2237 NA PeJP NA NA +PJ047425 GACCCCHH C29H44N12O9S4 832.2238 NA PeJP NA NA +FL5FGCGA0002 Limocitrol 3-[alpha-L-arabinopyranosyl-(1->3)[galactosyl-(1->6)]-galactoside] C35H44O23 832.22733 153976-17-1 knapsack NA NA +MJ095780 3,3',4',5,6,7,8-Heptahydroxyflavone; 3',6,8-Tri-Me ether, 3-O-[?-L-arabinopyranosyl-(1?3)-[?-D-galactopyranosyl-(1?6)]-?-D-galactopyranoside] C35H44O23 832.227337 NA MeJP NA NA +PJ047426 CNDDDDH C29H40N10O17S 832.2294 NA PeJP NA NA +PJ047427 CCCNNNY C30H44N10O12S3 832.2303 NA PeJP NA NA +PJ047428 GCCCDFW C35H44N8O10S3 832.2343 NA PeJP NA NA +PJ047429 SCCNDEY C31H44N8O15S2 832.2368 NA PeJP NA NA +PJ047430 STCCCMW C32H48N8O10S4 832.2376 NA PeJP NA NA +PJ047431 PCCCNMY C32H48N8O10S4 832.2377 NA PeJP NA NA +PJ047432 SSTTCCCE C28H48N8O15S3 832.2401 NA PeJP NA NA +PJ047433 SSSSCCEM C28H48N8O15S3 832.2402 NA PeJP NA NA +PJ047434 SCCQMMM C29H52N8O10S5 832.241 NA PeJP NA NA +PJ047435 GSSCCCHH C29H44N12O11S3 832.2415 NA PeJP NA NA +MJ095781 Premnoside B; 3'''-Hydroxy C39H44O20 832.242593 NA MeJP NA NA +PJ047436 GSPCCDDH C30H44N10O14S2 832.248 NA PeJP NA NA +PJ047437 APPCCCCH C31H48N10O9S4 832.2489 NA PeJP NA NA +PJ047438 GSCCDYW C35H44N8O12S2 832.252 NA PeJP NA NA +PJ047439 SCCCMMR C28H52N10O9S5 832.2523 NA PeJP NA NA +PJ047440 GSSSCDDY C31H44N8O17S 832.2545 NA PeJP NA NA +PJ047441 GPPCDDDD C31H44N8O17S 832.2546 NA PeJP NA NA +PJ047442 GCNDMMY C32H48N8O12S3 832.2554 NA PeJP NA NA +PJ047443 GSSSCMMM C29H52N8O12S4 832.2588 NA PeJP NA NA +PJ047444 CCNNNEH C29H44N12O13S2 832.2593 NA PeJP NA NA +PJ047445 CCCCKHH C30H48N12O8S4 832.2601 NA PeJP NA NA +PJ047446 SNDDDMH C30H44N10O16S 832.2658 NA PeJP NA NA +PJ047447 ACCCDRY C31H48N10O11S3 832.2666 NA PeJP NA NA +PJ047448 GCCCERY C31H48N10O11S3 832.2667 NA PeJP NA NA +PJ047449 GCNDDFY C35H44N8O14S 832.2698 NA PeJP NA NA +PJ047450 CCQMYW C36H48N8O9S3 832.2707 NA PeJP NA NA +PJ047451 PNDDDEE C31H44N8O19 832.2723 NA PeJP NA NA +PJ047452 SSCNEMY C32H48N8O14S2 832.2732 NA PeJP NA NA +PJ047453 GCNMMMF C33H52N8O9S4 832.274 NA PeJP NA NA +PJ047454 GGGCMMMF C33H52N8O9S4 832.2741 NA PeJP NA NA +PJ047455 GCCNNHW C33H44N12O10S2 832.2745 NA PeJP NA NA +PJ047456 DDEEYY C36H44N6O17 832.2763 NA PeJP NA NA +PJ047457 SSSSTCMM C29H52N8O14S3 832.2765 NA PeJP NA NA +PJ047458 GSSCNNDH C29H44N12O15S 832.277 NA PeJP NA NA +PJ047459 SCCKMMM C30H56N8O9S5 832.2774 NA PeJP NA NA +PJ047460 PCCCDHR C30H48N12O10S3 832.2779 NA PeJP NA NA +PJ047461 EEMMMY C34H52N6O12S3 832.2806 NA PeJP NA NA +PJ047462 GSCDEHW C34H44N10O13S 832.281 NA PeJP NA NA +PJ047463 CCCRYW C35H48N10O8S3 832.2819 NA PeJP NA NA +PJ047464 GSSSDDEH C30H44N10O18 832.2835 NA PeJP NA NA +PJ047465 GGGSPNDDD C30H44N10O18 832.2836 NA PeJP NA NA +PJ047466 SSCCDRY C31H48N10O13S2 832.2844 NA PeJP NA NA +PJ047467 ACCCMFR C32H52N10O8S4 832.2853 NA PeJP NA NA +PJ047468 GPDDDEW C35H44N8O16 832.2876 NA PeJP NA NA +PJ047469 GSSCMYW C36H48N8O11S2 832.2884 NA PeJP NA NA +PJ047470 GSSSSDMY C32H48N8O16S 832.2909 NA PeJP NA NA +PJ047471 GSNMMMY C33H52N8O11S3 832.2918 NA PeJP NA NA +PJ047472 NNNNNDE C29H44N12O17 832.2948 NA PeJP NA NA +PJ047473 DEEMFY C37H48N6O14S 832.295 NA PeJP NA NA +PJ047474 GCDDMHR C30H48N12O12S2 832.2956 NA PeJP NA NA +PJ047475 GGGGSCQMH C30H48N12O12S2 832.2957 NA PeJP NA NA +PJ047476 SCDHWW C38H44N10O10S 832.2963 NA PeJP NA NA +PJ047477 SSSDDHW C34H44N10O15 832.2988 NA PeJP NA NA +PJ047478 NDMMHW C35H48N10O10S2 832.2997 NA PeJP NA NA +PJ047479 SSNEEMH C31H48N10O15S 832.3022 NA PeJP NA NA +PJ047480 PDDDWW C39H44N8O13 832.3028 NA PeJP NA NA +PJ047481 GTCCMRY C32H52N10O10S3 832.303 NA PeJP NA NA +PJ047482 GCNEHHH C32H44N14O11S 832.3035 NA PeJP NA NA +PJ047483 CCQFFW C40H48N8O8S2 832.3037 NA PeJP NA NA +PJ047484 SSSTCYW C36H48N8O13S 832.3062 NA PeJP NA NA +PJ047485 SCCNNHR C29H48N14O11S2 832.3069 NA PeJP NA NA +PJ047486 CCKMYW C37H52N8O8S3 832.3071 NA PeJP NA NA +PJ047487 SSSSSSEY C32H48N8O18 832.3087 NA PeJP NA NA +PJ047488 SSSQMMY C33H52N8O13S2 832.3095 NA PeJP NA NA +PJ047489 GGSSTMMY C33H52N8O13S2 832.3096 NA PeJP NA NA +PJ047490 GNNNNDW C33H44N12O14 832.31 NA PeJP NA NA +PJ047491 GGGGGGGNDW C33H44N12O14 832.3101 NA PeJP NA NA +PJ047492 ACCKMMF C34H56N8O8S4 832.3104 NA PeJP NA NA +PJ047493 CCEHRW C34H48N12O9S2 832.3109 NA PeJP NA NA +PJ047494 TEEEYY C37H48N6O16 832.3127 NA PeJP NA NA +PJ047495 SSCDEHR C30H48N12O14S 832.3134 NA PeJP NA NA +PJ047496 PEMMYY C38H52N6O11S2 832.3136 NA PeJP NA NA +PJ047497 NDDHFW C38H44N10O12 832.314 NA PeJP NA NA +PJ047498 GGDDHFW C38H44N10O12 832.3141 NA PeJP NA NA +PJ047499 SPCCMHR C31H52N12O9S3 832.3143 NA PeJP NA NA +PJ047500 ACMHWW C39H48N10O7S2 832.3149 NA PeJP NA NA +C12387 Premithramycin A3 C41H52O18 832.3154 NA KEGG NA NA +PJ047501 GSSEMHW C35H48N10O12S 832.3174 NA PeJP NA NA +PJ047502 MMMHHF C36H52N10O7S3 832.3183 NA PeJP NA NA +PJ047503 CNHHHW C36H44N14O8S 832.3188 NA PeJP NA NA +PJ047504 SPDDDER C31H48N10O17 832.3199 NA PeJP NA NA +PJ047505 GGGGGGVDEE C31H48N10O17 832.32 NA PeJP NA NA +PJ047506 SSSCMRY C32H52N10O12S2 832.3208 NA PeJP NA NA +PJ047507 SSNDHHH C32H44N14O13 832.3213 NA PeJP NA NA +PJ047508 GNMYYW C40H48N8O10S 832.3214 NA PeJP NA NA +PJ047509 ASPDEEW C36H48N8O15 832.3239 NA PeJP NA NA +PJ047510 GSPEEEW C36H48N8O15 832.324 NA PeJP NA NA +MJ095782 Naphthomycin J; (4Z,6E)-Isomer C44H52N2O12S 832.324095 NA MeJP NA NA +PJ047511 GPPDMMW C37H52N8O10S2 832.3248 NA PeJP NA NA +PJ047512 GSSSTTMY C33H52N8O15S 832.3273 NA PeJP NA NA +PJ047513 PDEFYY C41H48N6O13 832.328 NA PeJP NA NA +PJ047514 GTCKMMY C34H56N8O10S3 832.3282 NA PeJP NA NA +PJ047515 ACNNQHF C34H48N12O11S 832.3286 NA PeJP NA NA +PJ047516 GNNNMHF C34H48N12O11S 832.3287 NA PeJP NA NA +PJ047517 SSSSSNQH C30H48N12O16 832.3311 NA PeJP NA NA +PJ047518 GNNDEER C30H48N12O16 832.3312 NA PeJP NA NA +PJ047519 VEEMYY C38H52N6O13S 832.3313 NA PeJP NA NA +PJ047520 GSDMMHR C31H52N12O11S2 832.332 NA PeJP NA NA +PJ047521 SSMHWW C39H48N10O9S 832.3327 NA PeJP NA NA +PJ047522 SSSTEHW C35H48N10O14 832.3352 NA PeJP NA NA +PJ047523 TQMMHW C36H52N10O9S2 832.336 NA PeJP NA NA +PJ047524 GATMMHW C36H52N10O9S2 832.3361 NA PeJP NA NA +PJ047525 SSDKEMH C32H52N10O14S 832.3385 NA PeJP NA NA +PJ047526 GPDEEMR C32H52N10O14S 832.3386 NA PeJP NA NA +PJ047527 SPEEWW C40H48N8O12 832.3392 NA PeJP NA NA +PJ047528 GVQMMMH C33H56N10O9S3 832.3394 NA PeJP NA NA +PJ047529 GSQMHHH C33H48N14O10S 832.3399 NA PeJP NA NA +PJ047530 CCKFFW C41H52N8O7S2 832.3401 NA PeJP NA NA +PJ047531 SNNNNDR C29H48N14O15 832.3424 NA PeJP NA NA +PJ047532 AAPEEMW C37H52N8O12S 832.3426 NA PeJP NA NA +PJ047533 GPPCHHW C38H48N12O8S 832.3439 NA PeJP NA NA +PJ047534 SSSSTTTY C33H52N8O17 832.3451 NA PeJP NA NA +PJ047535 SSSKMMY C34H56N8O12S2 832.3459 NA PeJP NA NA +PJ047536 GAPPTEMM C34H56N8O12S2 832.346 NA PeJP NA NA +PJ047537 NNDERW C34H48N12O13 832.3464 NA PeJP NA NA +PJ047538 GGGGGGGGGGPF C34H48N12O13 832.3465 NA PeJP NA NA +PJ047539 PPMYYY C42H52N6O10S 832.3466 NA PeJP NA NA +PJ047540 TCMHRW C35H52N12O8S2 832.3473 NA PeJP NA NA +PJ047541 EHHHHH C35H44N16O9 832.3478 NA PeJP NA NA +PJ047542 SSSEMHR C31H52N12O13S 832.3498 NA PeJP NA NA +PJ047543 LEMMFY C39H56N6O10S2 832.35 NA PeJP NA NA +PJ047544 GQQEWW C39H48N10O11 832.3504 NA PeJP NA NA +PJ047545 GGGAAEWW C39H48N10O11 832.3505 NA PeJP NA NA +PJ047546 QMMMHR C32H56N12O8S3 832.3507 NA PeJP NA NA +PJ047547 GSCHHHR C32H48N16O9S 832.3511 NA PeJP NA NA +MJ095783 Dysoxylumin A C42H56O17 832.35175 NA MeJP NA NA +PJ047548 PDEMRW C36H52N10O11S 832.3538 NA PeJP NA NA +PJ047549 GNFFYW C44H48N8O9 832.3545 NA PeJP NA NA +PJ047550 AAEEEER C32H52N10O16 832.3563 NA PeJP NA NA +PJ047551 SPPDMMR C33H56N10O11S2 832.3572 NA PeJP NA NA +PJ047552 SSTQHHH C33H48N14O12 832.3576 NA PeJP NA NA +PJ047553 GPDDHHR C33H48N14O12 832.3577 NA PeJP NA NA +MJ095784 Phallin B C41H52N8O9S 832.357795 NA MeJP NA NA +PJ047554 PVDMWW C41H52N8O9S 832.3578 NA PeJP NA NA +PJ047555 LQEEEW C37H52N8O14 832.3603 NA PeJP NA NA +PJ047556 GNNNQMR C30H52N14O12S 832.361 NA PeJP NA NA +PJ047557 GGGGGGGGAMR C30H52N14O12S 832.3611 NA PeJP NA NA +PJ047558 APPTMMW C38H56N8O9S2 832.3612 NA PeJP NA NA +PJ047559 GNDRWW C38H48N12O10 832.3617 NA PeJP NA NA +PJ047560 CMMHRR C31H56N14O7S3 832.3619 NA PeJP NA NA +PJ047561 APKEEEM C34H56N8O14S 832.3637 NA PeJP NA NA +PJ047562 PVEYYY C42H52N6O12 832.3643 NA PeJP NA NA +PJ047563 VEEFFY C42H52N6O12 832.3644 NA PeJP NA NA +PJ047564 PPVQMMM C35H60N8O9S3 832.3646 NA PeJP NA NA +PJ047565 GSPCQRW C35H52N12O10S 832.365 NA PeJP NA NA +PJ047566 GGGPTCRW C35H52N12O10S 832.3651 NA PeJP NA NA +PJ047567 QQWWW C43H48N10O8 832.3657 NA PeJP NA NA +MJ095785 Kraussianin; 18-(4-Acetoxybenzoyloxy) C46H56O14 832.367006 NA MeJP NA NA +PJ047568 DEEERR C31H52N12O15 832.3675 NA PeJP NA NA +PJ047569 GGGGATEER C31H52N12O15 832.3676 NA PeJP NA NA +PJ047570 GTTMMHR C32H56N12O10S2 832.3684 NA PeJP NA NA +PJ047571 PCNKWW C40H52N10O8S 832.3691 NA PeJP NA NA +PJ047572 STTTTHW C36H52N10O13 832.3715 NA PeJP NA NA +PJ047573 VDEERW C36H52N10O13 832.3716 NA PeJP NA NA +PJ047574 GCNNNRR C29H52N16O11S 832.3723 NA PeJP NA NA +PJ047575 TKMMHW C37H56N10O8S2 832.3724 NA PeJP NA NA +PJ047576 QQHHHF C37H48N14O9 832.3729 NA PeJP NA NA +PJ047577 APTEEMR C33H56N10O13S 832.3749 NA PeJP NA NA +PJ047578 GGGGPTKEM C33H56N10O13S 832.375 NA PeJP NA NA +PJ047579 ALEEWW C41H52N8O11 832.3756 NA PeJP NA NA +PJ047580 APPMMMR C34H60N10O8S3 832.3758 NA PeJP NA NA +PJ047581 CDHFRR C34H52N14O9S 832.3763 NA PeJP NA NA +PJ047582 APHHWW C42H48N12O7 832.3769 NA PeJP NA NA +PJ047583 GSNDERR C30H52N14O14 832.3788 NA PeJP NA NA +PJ047584 PPTTTMW C38H56N8O11S 832.3789 NA PeJP NA NA +PJ047585 GPTLEMW C38H56N8O11S 832.379 NA PeJP NA NA +PJ047586 PPFFYY C46H52N6O9 832.3796 NA PeJP NA NA +PJ047587 GPCNMRR C31H56N14O9S2 832.3797 NA PeJP NA NA +PJ047588 GMHFRW C39H52N12O7S 832.3803 NA PeJP NA NA +PJ047589 SPPTTTTE C34H56N8O16 832.3814 NA PeJP NA NA +PJ047590 GLKEEEE C34H56N8O16 832.3815 NA PeJP NA NA +PJ047591 PPTKEMM C35H60N8O11S2 832.3823 NA PeJP NA NA +PJ047592 SQQERW C35H52N12O12 832.3828 NA PeJP NA NA +PJ047593 PLMFYY C43H56N6O9S 832.383 NA PeJP NA NA +PJ047594 STTTMHR C32H56N12O12S 832.3862 NA PeJP NA NA +PJ047595 LLMMYY C40H60N6O9S2 832.3863 NA PeJP NA NA +PJ047596 GQKEWW C40H52N10O10 832.3868 NA PeJP NA NA +PJ047597 KMMMHR C33H60N12O7S3 832.387 NA PeJP NA NA +MJ095786 Chaetiacandin C43H60O16 832.388135 NA MeJP NA NA +PJ047598 GSPQKMW C37H56N10O10S 832.3902 NA PeJP NA NA +PJ047599 PPTFWW C45H52N8O8 832.3908 NA PeJP NA NA +PJ047600 GTLEEER C33H56N10O15 832.3927 NA PeJP NA NA +PJ047601 GPLEMMR C34H60N10O10S2 832.3936 NA PeJP NA NA +PJ047602 SNDRRW C34H52N14O11 832.394 NA PeJP NA NA +PJ047603 GGGGSPKHH C34H52N14O11 832.3941 NA PeJP NA NA +PJ047604 PTLMWW C42H56N8O8S 832.3942 NA PeJP NA NA +PJ047605 LKEEEW C38H56N8O13 832.3967 NA PeJP NA NA +PJ047606 NQEMRR C31H56N14O11S 832.3974 NA PeJP NA NA +PJ047607 GPVLMMW C39H60N8O8S2 832.3976 NA PeJP NA NA +PJ047608 GTQRWW C39H52N12O9 832.3981 NA PeJP NA NA +PJ047609 SPLKEEM C35H60N8O13S 832.4001 NA PeJP NA NA +PJ047610 VLEFYY C43H56N6O11 832.4007 NA PeJP NA NA +PJ047611 PPVKMMM C36H64N8O8S3 832.401 NA PeJP NA NA +PJ047612 VNQMRW C36H56N12O9S 832.4014 NA PeJP NA NA +PJ047613 QKWWW C44H52N10O7 832.4021 NA PeJP NA NA +PJ047614 GSQKEER C32H56N12O14 832.4039 NA PeJP NA NA +PJ047615 GGGGGGSKKE C32H56N12O14 832.404 NA PeJP NA NA +PJ047616 GPNKMMR C33H60N12O9S2 832.4048 NA PeJP NA NA +PJ047617 QQQHHR C33H52N16O10 832.4053 NA PeJP NA NA +PJ047618 PPMFRW C41H56N10O7S 832.4055 NA PeJP NA NA +PJ047619 AATQKEW C37H56N10O12 832.4079 NA PeJP NA NA +PJ047620 TLEERW C37H56N10O12 832.408 NA PeJP NA NA +PJ047621 CNERRR C30H56N16O10S 832.4086 NA PeJP NA NA +PJ047622 GGCERRR C30H56N16O10S 832.4087 NA PeJP NA NA +PJ047623 PLMMRW C38H60N10O7S2 832.4088 NA PeJP NA NA +PJ047624 PTHHRW C38H52N14O8 832.4093 NA PeJP NA NA +PJ047625 GVLEEMR C34H60N10O12S 832.4113 NA PeJP NA NA +PJ047626 SLLEWW C42H56N8O10 832.412 NA PeJP NA NA +PJ047627 GQMRRW C35H56N14O8S 832.4127 NA PeJP NA NA +PJ047628 STNNNKR C31H56N14O13 832.4151 NA PeJP NA NA +PJ047629 GSTQERR C31H56N14O13 832.4152 NA PeJP NA NA +PJ047630 AALLEMW C39H60N8O10S 832.4153 NA PeJP NA NA +MJ095787 Cyclosquamosin G C39H60N8O10S 832.41531 NA MeJP NA NA +PJ047631 GVVLEMW C39H60N8O10S 832.4154 NA PeJP NA NA +PJ047632 PLFFFY C47H56N6O8 832.416 NA PeJP NA NA +PJ047633 NNHHRR C32H52N18O9 832.4165 NA PeJP NA NA +PJ047634 SVLKEEE C35H60N8O15 832.4178 NA PeJP NA NA +PJ047635 VTLDKEE C35H60N8O15 832.4179 NA PeJP NA NA +PJ047636 PVVKEMM C36H64N8O10S2 832.4187 NA PeJP NA NA +7060 coeliac toxic peptide PQPQLPYPQPQLPY 832.419 MH2+ Inhouse_peptide NA peptide +PJ047637 SQKERW C36H56N12O11 832.4192 NA PeJP NA NA +PJ047638 LLMFFY C44H60N6O8S 832.4194 NA PeJP NA NA +PJ047639 ASLQQMR C33H60N12O11S 832.4225 NA PeJP NA NA +PJ047640 LEEMRR C33H60N12O11S 832.4226 NA PeJP NA NA +PJ047641 GKKEWW C41H56N10O9 832.4232 NA PeJP NA NA +PJ047642 GCRRRW C34H56N16O7S 832.4239 NA PeJP NA NA +PJ047643 GSSDRRR C30H56N16O12 832.4264 NA PeJP NA NA +PJ047644 VLEMRW C38H60N10O9S 832.4266 NA PeJP NA NA +PJ047645 PVVFWW C46H56N8O7 832.4272 NA PeJP NA NA +PJ047646 SSLLEER C34H60N10O14 832.4291 NA PeJP NA NA +PJ047647 APQKKMM C35H64N10O9S2 832.4299 NA PeJP NA NA +PJ047648 SPVLMMR C35H64N10O9S2 832.43 NA PeJP NA NA +PJ047649 STQRRW C35H56N14O10 832.4304 NA PeJP NA NA +PJ047650 VVLMWW C43H60N8O7S 832.4306 NA PeJP NA NA +MJ095788 N-Deacyltunicamycin; 5,6-Dihydro, N4''-(12-methyl-2-tetradecenoyl) C38H64N4O16 832.431732 NA MeJP NA NA +MJ095789 N-Deacyltunicamycin; N4''-(12-Methyltetradecanoyl) C38H64N4O16 832.431732 NA MeJP NA NA +MJ095790 N-Deacyltunicamycin; N4''-(13-Methyltetradecanoyl) C38H64N4O16 832.431732 NA MeJP NA NA +MJ095791 Electrin 5 C39H60N8O12 832.433069 NA MeJP NA NA +PJ047651 ATTLLEW C39H60N8O12 832.4331 NA PeJP NA NA +PJ047652 NKEMRR C32H60N14O10S 832.4338 NA PeJP NA NA +PJ047653 GTKRWW C40H56N12O8 832.4344 NA PeJP NA NA +PJ047654 GALLHHW C40H56N12O8 832.4345 NA PeJP NA NA +PJ047655 ALLKEEM C36H64N8O12S 832.4365 NA PeJP NA NA +PJ047656 VLLYYY C44H60N6O10 832.4371 NA PeJP NA NA +PJ047657 VNKMRW C37H60N12O8S 832.4378 NA PeJP NA NA +PJ047658 KKWWW C45H56N10O6 832.4385 NA PeJP NA NA +PJ047659 GSKKEER C33H60N12O13 832.4403 NA PeJP NA NA +PJ047660 APCKKMR C34H64N12O8S2 832.4412 NA PeJP NA NA +PJ047661 VEHHRR C34H56N16O9 832.4417 NA PeJP NA NA +PJ047662 DKKKEW C38H60N10O11 832.4443 NA PeJP NA NA +PJ047663 GGGAAPLKY C38H60N10O11 832.4444 NA PeJP NA NA +PJ047664 SQMRRR C31H60N16O9S 832.445 NA PeJP NA NA +PJ047665 VVHHRW C39H56N14O7 832.4457 NA PeJP NA NA +PJ047666 ATLLEMR C35H64N10O11S 832.4477 NA PeJP NA NA +PJ047667 AAPLLYW C43H60N8O9 832.4484 NA PeJP NA NA +PJ047668 GKMRRW C36H60N14O7S 832.4491 NA PeJP NA NA +PJ047669 ASSKERR C32H60N14O12 832.4515 NA PeJP NA NA +PJ047670 GSTKERR C32H60N14O12 832.4516 NA PeJP NA NA +PJ047671 GTLLLMW C40H64N8O9S 832.4517 NA PeJP NA NA +PJ047672 LLFFFF C48H60N6O7 832.4524 NA PeJP NA NA +PJ047673 TTLLKEE C36H64N8O14 832.4542 NA PeJP NA NA +PJ047674 PTLLKMM C37H68N8O9S2 832.4551 NA PeJP NA NA +PJ047675 SKKERW C37H60N12O10 832.4556 NA PeJP NA NA +PJ047676 SCRRRR C30H60N18O8S 832.4563 NA PeJP NA NA +PJ047677 AAKKEMR C34H64N12O10S 832.4589 NA PeJP NA NA +PJ047678 GVDKKMR C34H64N12O10S 832.459 NA PeJP NA NA +PJ047679 SVKKWW C42H60N10O8 832.4596 NA PeJP NA NA +MJ095792 Cryptoporic acid G; 15-Deoxy, 5'''-Me ester C45H68O14 832.460906 NA MeJP NA NA +PJ047680 GSTTRRR C31H60N16O11 832.4628 NA PeJP NA NA +PJ047681 LQKKMW C39H64N10O8S 832.463 NA PeJP NA NA +PJ047682 TTTLLER C35H64N10O13 832.4655 NA PeJP NA NA +PJ047683 GLLLMMR C36H68N10O8S2 832.4663 NA PeJP NA NA +PJ047684 STKRRW C36H60N14O9 832.4668 NA PeJP NA NA +PJ047685 STTLLLW C40H64N8O11 832.4695 NA PeJP NA NA +PJ047686 DKKMRR C33H64N14O9S 832.4702 NA PeJP NA NA +PJ047687 LLKHHW C41H60N12O7 832.4708 NA PeJP NA NA +PJ047688 SLLLKEM C37H68N8O11S 832.4729 NA PeJP NA NA +PJ047689 CLKKRW C38H64N12O7S 832.4742 NA PeJP NA NA +PJ047690 ATTKKER C34H64N12O12 832.4767 NA PeJP NA NA +PJ047691 AQFRRR C35H60N16O8 832.478 NA PeJP NA NA +MJ095793 Borophycin C44H68BO14(-) 832.478037 NA MeJP NA NA +PJ047692 GAAFRRR C35H60N16O8 832.4781 NA PeJP NA NA +PJ047693 GTTLKKW C39H64N10O10 832.4807 NA PeJP NA NA +PJ047694 SKMRRR C32H64N16O8S 832.4814 NA PeJP NA NA +C15679 Lankamycin C42H72O16 832.482 NA KEGG NA NA +MJ095794 Kujimycin A; 15-Ac C42H72O16 832.482036 NA MeJP NA NA +MJ095795 Lankamycin C42H72O16 832.482036 NA MeJP NA NA +MJ095796 Monensin; Monensin A, 26-O-?-D-Glucopyranoside C42H72O16 832.482036 NA MeJP NA NA +PJ047695 STLLLMR C36H68N10O10S 832.4841 NA PeJP NA NA +PJ047696 AALLLFW C44H64N8O8 832.4848 NA PeJP NA NA +PJ047697 SSSLKRR C33H64N14O11 832.4879 NA PeJP NA NA +PJ047698 PVVLKMF C41H68N8O8S 832.4881 NA PeJP NA NA +PJ047699 SSSTLLLL C37H68N8O13 832.4906 NA PeJP NA NA +PJ047700 VVLLKMM C38H72N8O8S2 832.4915 NA PeJP NA NA +PJ047701 AAPKKRY C38H64N12O9 832.492 NA PeJP NA NA +PJ047702 GTLKKMR C35H68N12O9S 832.4953 NA PeJP NA NA +PJ047703 VLLFRW C43H64N10O7 832.496 NA PeJP NA NA +PJ047704 LKKKMW C40H68N10O7S 832.4993 NA PeJP NA NA +PJ047705 STLKKKE C36H68N10O12 832.5018 NA PeJP NA NA +PJ047706 GSSTLLKK C36H68N10O12 832.5019 NA PeJP NA NA +PJ047707 VQKFRR C37H64N14O8 832.5032 NA PeJP NA NA +PJ047708 SPLLLKY C41H68N8O10 832.5059 NA PeJP NA NA +PJ047709 STTLKKR C35H68N12O11 832.5131 NA PeJP NA NA +PJ047710 AKFRRR C36H64N16O7 832.5144 NA PeJP NA NA +PJ047711 GVLLLRY C40H68N10O9 832.5171 NA PeJP NA NA +PJ047712 SVLKKKM C37H72N10O9S 832.5205 NA PeJP NA NA +PJ047713 LLLRRY C39H68N12O8 832.5283 NA PeJP NA NA +PJ047714 ACKKKKK C36H72N12O8S 832.5317 NA PeJP NA NA +PJ047715 VKKFRR C38H68N14O7 832.5396 NA PeJP NA NA +PJ047716 ALLLLKY C42H72N8O9 832.5423 NA PeJP NA NA +PJ047717 SSKKKKK C36H72N12O10 832.5495 NA PeJP NA NA +PJ047718 GLLKKKF C41H72N10O8 832.5535 NA PeJP NA NA +EUR1102 SM(d18:1/22:0) [M+FA-H]- C45H91N2O6P 832.666356 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1102 SM(d18:1/22:0) [M+FA-H]- C45H91N2O6P 832.666356 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1102 SM(d18:1/22:0) [M+FA-H]- C45H91N2O6P 832.666356 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1102 SM(d18:1/22:0) [M+FA-H]- C45H91N2O6P 832.666356 masses lipides attendues Inhousejuil11 NA NA +MJ095797 Glycerol trialkanoates (diacid, symmetrical); Glycerol 1,3-dihexadecanoate 2-(9Z-octadecenoate) C53H100O6 832.75199 NA MeJP NA NA +HMDB05360 TG(16:0/16:0/18:1(9Z)) C53H100O6 832.75201 http://www.hmdb.ca/metabolites/HMDB05360 HMDB NA NA +HMDB05374 TG(16:0/16:1(9Z)/18:0)[iso6] C53H100O6 832.75201 http://www.hmdb.ca/metabolites/HMDB05374 HMDB NA NA +HMDB05360 TG(16:0/16:0/18:1(9Z)) C53H100O6 832.75201 HMDB05360 PFEM_hmdb_metabocards_official NA NA +HMDB05374 TG(16:0/16:1(9Z)/18:0)[iso6] C53H100O6 832.75201 HMDB05374 PFEM_hmdb_metabocards_official NA NA +HMDB05360 TG(16:0/16:0/18:1(9Z))[iso3] C53H100O6 832.752014 NA HMDB2010 NA NA +HMDB05374 TG(16:0/16:1(9Z)/18:0)[iso6] C53H100O6 832.752014 NA HMDB2010 NA NA +HMDB10416 TG(16:0/16:0/18:1(11Z))[iso3] C53H100O6 832.752014 NA HMDB2010 NA NA +HMDB10428 TG(18:0/14:0/18:1(11Z))[iso6] C53H100O6 832.752014 NA HMDB2010 NA NA +HMDB10429 TG(18:0/14:0/18:1(9Z))[iso6] C53H100O6 832.752014 NA HMDB2010 NA NA +MJ095798 20(29)-Lupen-3-ol, Octacosanoyl C58H104O2 832.803632 NA MeJP NA NA +MJ095799 Hancolupenol; Octacosanoyl C58H104O2 832.803632 NA MeJP NA NA +PJ047719 GCCCCCNE C26H43N9O12S5 833.1635 NA PeJP NA NA +PJ047720 CCCCCNW C30H43N9O9S5 833.1788 NA PeJP NA NA +PJ047721 SSCCCCND C26H43N9O14S4 833.1813 NA PeJP NA NA +PJ047722 CCCDEMM C28H47N7O12S5 833.1887 NA PeJP NA NA +PJ047723 GSCCCCQM C27H47N9O11S5 833.1999 NA PeJP NA NA +PJ047724 CCCDDEF C31H43N7O14S3 833.2031 NA PeJP NA NA +PJ047725 CCCCEHH C29H43N11O10S4 833.2078 NA PeJP NA NA +PJ047726 GSCCCCCR C26H47N11O10S5 833.2111 NA PeJP NA NA +PJ047727 CDDDDDH C29H39N9O18S 833.2134 NA PeJP NA NA +PJ047728 CCCNNDY C30H43N9O13S3 833.2143 NA PeJP NA NA +PJ047729 SSSCCCNM C27H47N9O13S4 833.2176 NA PeJP NA NA +PJ047730 GGSSSCCCM C27H47N9O13S4 833.2177 NA PeJP NA NA +PJ047731 SCCDDEY C31H43N7O16S2 833.2208 NA PeJP NA NA +PJ047732 PCCCDMY C32H47N7O11S4 833.2217 NA PeJP NA NA +PJ047733 SCCEMMM C29H51N7O11S5 833.225 NA PeJP NA NA +PJ047734 CCCNNMF C31H47N9O10S4 833.2329 NA PeJP NA NA +PJ047735 GSSSSTCCC C27H47N9O15S3 833.2354 NA PeJP NA NA +PJ047736 GSCCCCKM C28H51N9O10S5 833.2363 NA PeJP NA NA +PJ047737 GCDDMMY C32H47N7O13S3 833.2394 NA PeJP NA NA +PJ047738 PCCCMMF C33H51N7O8S5 833.2403 NA PeJP NA NA +PJ047739 CCNNDEH C29H43N11O14S2 833.2433 NA PeJP NA NA +PJ047740 GCMMMMM C30H55N7O8S6 833.2437 NA PeJP NA NA +PJ047741 TCCCMHH C30H47N11O9S4 833.2441 NA PeJP NA NA +PJ047742 SDDDDMH C30H43N9O17S 833.2498 NA PeJP NA NA +PJ047743 SCCNNMY C31H47N9O12S3 833.2506 NA PeJP NA NA +PJ047744 GGSCCNMY C31H47N9O12S3 833.2507 NA PeJP NA NA +PJ047745 SSSSSSSCC C27H47N9O17S2 833.2531 NA PeJP NA NA +PJ047746 GCDDDFY C35H43N7O15S 833.2538 NA PeJP NA NA +PJ047747 SSTCCCCK C28H51N9O12S4 833.254 NA PeJP NA NA +PJ047748 CCEMYW C36H47N7O10S3 833.2547 NA PeJP NA NA +PJ047749 PDDDDEE C31H43N7O20 833.2563 NA PeJP NA NA +PJ047750 SSCDEMY C32H47N7O15S2 833.2572 NA PeJP NA NA +PJ047751 SPCCMMY C33H51N7O10S4 833.258 NA PeJP NA NA +PJ047752 GCDMMMF C33H51N7O10S4 833.2581 NA PeJP NA NA +PJ047753 GCCNDHW C33H43N11O11S2 833.2585 NA PeJP NA NA +PJ047754 GSSCNDDH C29H43N11O16S 833.261 NA PeJP NA NA +PJ047755 STCMMMM C30H55N7O10S5 833.2614 NA PeJP NA NA +PJ047756 GSPCCCQH C30H47N11O11S3 833.2619 NA PeJP NA NA +PJ047757 GSPNDDDD C30H43N9O19 833.2676 NA PeJP NA NA +PJ047758 GSSSCCQY C31H47N9O14S2 833.2684 NA PeJP NA NA +PJ047759 CCCCQKF C32H51N9O9S4 833.2693 NA PeJP NA NA +PJ047760 GSDDDYY C35H43N7O17 833.2716 NA PeJP NA NA +PJ047761 GPCCEYY C36H47N7O12S2 833.2724 NA PeJP NA NA +MJ095800 UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine C31H53N3O19P2 833.274849 NA MeJP NA NA +MetaCyc04159 UDP-3-O-(3-hydroxymyristoyl)-N-acetylglucosamine [UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;] C31H53N3O19P2 833.27485 NA metacyc NA NA +C04738 UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine C31H53N3O19P2 833.2749 NA KEGG NA NA +PJ047762 GSDMMMY C33H51N7O12S3 833.2758 NA PeJP NA NA +PJ047763 GCCMHHF C34H47N11O8S3 833.2772 NA PeJP NA NA +PJ047764 NNNNDDE C29H43N11O18 833.2788 NA PeJP NA NA +PJ047765 SCNNEMH C30H47N11O13S2 833.2796 NA PeJP NA NA +PJ047766 GGSCNEMH C30H47N11O13S2 833.2797 NA PeJP NA NA +PJ047767 GDDDEHF C34H43N9O16 833.2828 NA PeJP NA NA +PJ047768 DDMMHW C35H47N9O11S2 833.2837 NA PeJP NA NA +PJ047769 SSSSSCNY C31H47N9O16S 833.2862 NA PeJP NA NA +PJ047770 SCCCQKY C32H51N9O11S3 833.287 NA PeJP NA NA +PJ047771 GGTCCCKY C32H51N9O11S3 833.2871 NA PeJP NA NA +PJ047772 GCDEHHH C32H43N13O12S 833.2875 NA PeJP NA NA +PJ047773 PCCYYW C40H47N7O9S2 833.2877 NA PeJP NA NA +PJ047774 NDEMYY C36H47N7O14S 833.2902 NA PeJP NA NA +PJ047775 SCCNDHR C29H47N13O12S2 833.2909 NA PeJP NA NA +PJ047776 TCMMYW C37H51N7O9S3 833.2911 NA PeJP NA NA +PJ047777 SPDEEEE C32H47N7O19 833.2927 NA PeJP NA NA +PJ047778 SSSEMMY C33H51N7O14S2 833.2936 NA PeJP NA NA +PJ047779 GNNNDDW C33H43N11O15 833.294 NA PeJP NA NA +PJ047780 GGGNNDDW C33H43N11O15 833.2941 NA PeJP NA NA +PJ047781 QMMMMY C34H55N7O9S4 833.2944 NA PeJP NA NA +PJ047782 GSCNMHW C34H47N11O10S2 833.2949 NA PeJP NA NA +PJ047783 PCNDDDR C30H47N11O15S 833.2974 NA PeJP NA NA +PJ047784 DDDHFW C38H43N9O13 833.2981 NA PeJP NA NA +PJ047785 GNNMMMH C31H51N11O10S3 833.2983 NA PeJP NA NA +PJ047786 GPNDDMW C35H47N9O13S 833.3014 NA PeJP NA NA +PJ047787 GGGPDDMW C35H47N9O13S 833.3015 NA PeJP NA NA +PJ047788 PPCCMHF C36H51N9O8S3 833.3023 NA PeJP NA NA +PJ047789 CDHHHW C36H43N13O9S 833.3028 NA PeJP NA NA +PJ047790 GNQEEEE C31H47N9O18 833.3039 NA PeJP NA NA +PJ047791 GGGQEEEE C31H47N9O18 833.304 NA PeJP NA NA +PJ047792 GSSSCCKY C32H51N9O13S2 833.3048 NA PeJP NA NA +PJ047793 SSDDHHH C32H43N13O14 833.3053 NA PeJP NA NA +PJ047794 ACEYYW C40H47N7O11S 833.3054 NA PeJP NA NA +PJ047795 GDMYYW C40H47N7O11S 833.3055 NA PeJP NA NA +PJ047796 CMMMRY C33H55N9O8S4 833.3057 NA PeJP NA NA +PJ047797 PTCCHHH C33H47N13O9S2 833.3062 NA PeJP NA NA +PJ047798 GSTDEYY C36H47N7O16 833.3079 NA PeJP NA NA +PJ047799 GSSEEYY C36H47N7O16 833.308 NA PeJP NA NA +PJ047800 NNNNNNM C29H47N13O14S 833.3086 NA PeJP NA NA +PJ047801 GGGGNNNNM C29H47N13O14S 833.3087 NA PeJP NA NA +PJ047802 GPTCMYY C37H51N7O11S2 833.3088 NA PeJP NA NA +PJ047803 GCCQMHR C30H51N13O9S3 833.3095 NA PeJP NA NA +PJ047804 APEEEEM C33H51N7O16S 833.3113 NA PeJP NA NA +PJ047805 GTTMMMY C34H55N7O11S3 833.3122 NA PeJP NA NA +PJ047806 SSSCQHW C34H47N11O12S 833.3127 NA PeJP NA NA +PJ047807 GNDDEER C30H47N11O17 833.3152 NA PeJP NA NA +PJ047808 SSNQMMH C31H51N11O12S2 833.316 NA PeJP NA NA +PJ047809 GSPPCCDR C31H51N11O12S2 833.3161 NA PeJP NA NA +PJ047810 PCNEWW C39H47N9O10S 833.3167 NA PeJP NA NA +PJ047811 NQEEEW C35H47N9O15 833.3192 NA PeJP NA NA +PJ047812 TEMMHW C36H51N9O10S2 833.3201 NA PeJP NA NA +PJ047813 GCCCHRR C29H51N15O8S3 833.3208 NA PeJP NA NA +MJ095801 Cephabacin F; Cephabacin F7, N27-(L-Alanyl-L-seryl) C32H51N9O15S 833.322532 NA MeJP NA NA +PJ047814 STTEEMH C32H51N9O15S 833.3226 NA PeJP NA NA +PJ047815 SSEYYW C40H47N7O13 833.3232 NA PeJP NA NA +PJ047816 SCCCKKY C33H55N9O10S3 833.3234 NA PeJP NA NA +PJ047817 GGGGPPMMM C33H55N9O10S3 833.3235 NA PeJP NA NA +PJ047818 GSEMHHH C33H47N13O11S 833.3239 NA PeJP NA NA +PJ047819 GMMFYW C41H51N7O8S2 833.3241 NA PeJP NA NA +PJ047820 SNNNDDR C29H47N13O16 833.3264 NA PeJP NA NA +PJ047821 TQEMYY C37H51N7O13S 833.3266 NA PeJP NA NA +PJ047822 YYYYY C45H47N5O11 833.3272 NA PeJP NA NA +PJ047823 SSCNMHR C30H51N13O11S2 833.3273 NA PeJP NA NA +PJ047824 QMMMFF C38H55N7O8S3 833.3275 NA PeJP NA NA +PJ047825 CNQHFW C38H47N11O9S 833.3279 NA PeJP NA NA +PJ047826 GLEEEEE C33H51N7O18 833.3291 NA PeJP NA NA +PJ047827 STTTMMY C34H55N7O13S2 833.3299 NA PeJP NA NA +PJ047828 PPTEEMM C34H55N7O13S2 833.33 NA PeJP NA NA +PJ047829 NDDERW C34H47N11O14 833.3304 NA PeJP NA NA +PJ047830 GGGGGGGTEW C34H47N11O14 833.3305 NA PeJP NA NA +PJ047831 KMMMMY C35H59N7O8S4 833.3308 NA PeJP NA NA +PJ047832 GTCCKHW C35H51N11O9S2 833.3313 NA PeJP NA NA +PJ047833 GPCWWW C43H47N9O7S 833.332 NA PeJP NA NA +PJ047834 SPNDDMR C31H51N11O14S 833.3338 NA PeJP NA NA +PJ047835 GQEEWW C39H47N9O12 833.3344 NA PeJP NA NA +PJ047836 GGAEEWW C39H47N9O12 833.3345 NA PeJP NA NA +PJ047837 EMMMHR C32H55N11O9S3 833.3347 NA PeJP NA NA +PJ047838 GSPQEMW C36H51N9O12S 833.3378 NA PeJP NA NA +PJ047839 GDFFYW C44H47N7O10 833.3385 NA PeJP NA NA +PJ047840 VMMMHW C37H55N9O7S3 833.3387 NA PeJP NA NA +PJ047841 SMHHHW C37H47N13O8S 833.3392 NA PeJP NA NA +PJ047842 GNKEEEE C32H51N9O17 833.3403 NA PeJP NA NA +PJ047843 SSLEMMH C33H55N9O12S2 833.3412 NA PeJP NA NA +PJ047844 SSTEHHH C33H47N13O13 833.3417 NA PeJP NA NA +PJ047845 ATMYYW C41H51N7O10S 833.3418 NA PeJP NA NA +PJ047846 GGEMFFF C41H51N7O10S 833.3419 NA PeJP NA NA +PJ047847 AAMMHHH C34H51N13O8S2 833.3425 NA PeJP NA NA +PJ047848 GTTTEYY C37H51N7O15 833.3443 NA PeJP NA NA +PJ047849 LEEEEW C37H51N7O15 833.3444 NA PeJP NA NA +PJ047850 GSSSTCHR C30H51N13O13S 833.345 NA PeJP NA NA +PJ047851 GGGGGNEMR C30H51N13O13S 833.3451 NA PeJP NA NA +PJ047852 VQMMYY C38H55N7O10S2 833.3452 NA PeJP NA NA +PJ047853 GDDRWW C38H47N11O11 833.3457 NA PeJP NA NA +PJ047854 PPCCCRR C31H55N13O8S3 833.3459 NA PeJP NA NA +PJ047855 SPLEEEM C34H55N7O15S 833.3477 NA PeJP NA NA +PJ047856 PPVEMMM C35H59N7O10S3 833.3486 NA PeJP NA NA +PJ047857 SSSCKHW C35H51N11O11S 833.349 NA PeJP NA NA +PJ047858 GSPCERW C35H51N11O11S 833.3491 NA PeJP NA NA +PJ047859 QEWWW C43H47N9O9 833.3497 NA PeJP NA NA +PJ047860 SSSSTTQH C31H51N11O16 833.3515 NA PeJP NA NA +PJ047861 GSQEEER C31H51N11O16 833.3516 NA PeJP NA NA +PJ047862 GPNEMMR C32H55N11O11S2 833.3524 NA PeJP NA NA +PJ047863 GGGGGAPCKM C32H55N11O11S2 833.3525 NA PeJP NA NA +PJ047864 GNNQQHH C32H47N15O12 833.3529 NA PeJP NA NA +PJ047865 SPQMWW C40H51N9O9S 833.3531 NA PeJP NA NA +PJ047866 NKEEEW C36H51N9O14 833.3556 NA PeJP NA NA +PJ047867 GCNNDRR C29H51N15O12S 833.3563 NA PeJP NA NA +PJ047868 AAPQMMW C37H55N9O9S2 833.3564 NA PeJP NA NA +PJ047869 GPVNMMW C37H55N9O9S2 833.3565 NA PeJP NA NA +PJ047870 GSPNHHW C37H47N13O10 833.3569 NA PeJP NA NA +PJ047871 GMFFFW C45H51N7O7S 833.3571 NA PeJP NA NA +PJ047872 SPNKEEM C33H55N9O14S 833.3589 NA PeJP NA NA +PJ047873 GGSPKEEM C33H55N9O14S 833.359 NA PeJP NA NA +PJ047874 TTTYYW C41H51N7O12 833.3596 NA PeJP NA NA +PJ047875 ATLMMMH C34H59N9O9S3 833.3598 NA PeJP NA NA +PJ047876 NNNMRW C34H51N13O10S 833.3603 NA PeJP NA NA +3729 NA YPFGFFG 833.361 ACE inhibitor Inhouse_peptide NA peptide +MJ095802 Taxol?; N-Debenzoyl, N-(2-methylbutanoyl) C45H55NO14 833.362255 NA MeJP NA NA +PJ047877 GSDDERR C30H51N13O15 833.3628 NA PeJP NA NA +PJ047878 TKEMYY C38H55N7O12S 833.363 NA PeJP NA NA +PJ047879 GPCDMRR C31H55N13O10S2 833.3637 NA PeJP NA NA +PJ047880 KMMMFF C39H59N7O7S3 833.3638 NA PeJP NA NA +PJ047881 SPCRWW C39H51N11O8S 833.3643 NA PeJP NA NA +PJ047882 AWWWW C47H47N9O6 833.365 NA PeJP NA NA +PJ047883 SVLEEEE C34H55N7O17 833.3655 NA PeJP NA NA +PJ047884 PVVEEMM C35H59N7O12S2 833.3663 NA PeJP NA NA +PJ047885 SQEERW C35H51N11O13 833.3668 NA PeJP NA NA +PJ047886 PNMMRW C36H55N11O8S2 833.3677 NA PeJP NA NA +PJ047887 AAQEEMR C32H55N11O13S 833.3702 NA PeJP NA NA +PJ047888 GKEEWW C40H51N9O11 833.3708 NA PeJP NA NA +PJ047889 GGAAPEFW C40H51N9O11 833.3709 NA PeJP NA NA +PJ047890 PPCCKMR C33H59N11O8S3 833.3711 NA PeJP NA NA +PJ047891 GPCQHHR C33H51N15O9S 833.3715 NA PeJP NA NA +PJ047892 AHHHFW C41H47N13O7 833.3722 NA PeJP NA NA +MJ095803 Tryptophylvalylvalylglycylaspartylvalylglutamine; 2-Methionine analogue C37H55N9O11S 833.374174 NA MeJP NA NA +PJ047893 GSPKEMW C37H55N9O11S 833.3742 NA PeJP NA NA +PJ047894 ATFFYW C45H51N7O9 833.3748 NA PeJP NA NA +PJ047895 GVFYYW C45H51N7O9 833.3749 NA PeJP NA NA +PJ047896 GDKKEEE C33H55N9O16 833.3767 NA PeJP NA NA +PJ047897 TTTLMMH C34H59N9O11S2 833.3776 NA PeJP NA NA +PJ047898 SDDRRW C34H51N13O12 833.378 NA PeJP NA NA +PJ047899 GGGSSQRW C34H51N13O12 833.3781 NA PeJP NA NA +PJ047900 VQMFFY C42H55N7O9S 833.3782 NA PeJP NA NA +PJ047901 SSTTLYY C38H55N7O14 833.3807 NA PeJP NA NA +PJ047902 NEEMRR C31H55N13O12S 833.3814 NA PeJP NA NA +PJ047903 GGGGGGGGCKK C31H55N13O12S 833.3815 NA PeJP NA NA +PJ047904 VKMMYY C39H59N7O9S2 833.3816 NA PeJP NA NA +PJ047905 GTERWW C39H51N11O10 833.3821 NA PeJP NA NA +PJ047906 ALLEEEM C35H59N7O14S 833.3841 NA PeJP NA NA +PJ047907 VNEMRW C36H55N11O10S 833.3854 NA PeJP NA NA +PJ047908 GGVEMRW C36H55N11O10S 833.3855 NA PeJP NA NA +PJ047909 KEWWW C44H51N9O8 833.3861 NA PeJP NA NA +PJ047910 GSKEEER C32H55N11O15 833.3879 NA PeJP NA NA +PJ047911 GGSSLEER C32H55N11O15 833.388 NA PeJP NA NA +PJ047912 GPDKMMR C33H59N11O10S2 833.3888 NA PeJP NA NA +PJ047913 QQEHHR C33H51N15O11 833.3893 NA PeJP NA NA +PJ047914 SPKMWW C41H55N9O8S 833.3895 NA PeJP NA NA +PJ047915 PTTTTQW C37H55N9O13 833.3919 NA PeJP NA NA +PJ047916 DKKEEW C37H55N9O13 833.392 NA PeJP NA NA +PJ047917 ASCNQRR C30H55N15O11S 833.3926 NA PeJP NA NA +PJ047918 CDERRR C30H55N15O11S 833.3927 NA PeJP NA NA +PJ047919 AAPKMMW C38H59N9O8S2 833.3928 NA PeJP NA NA +PJ047920 VQQHHW C38H51N13O9 833.3933 NA PeJP NA NA +PJ047921 GLQKEEM C34H59N9O13S 833.3953 NA PeJP NA NA +PJ047922 GGALKEEM C34H59N9O13S 833.3954 NA PeJP NA NA +PJ047923 PTKYYY C42H55N7O11 833.396 NA PeJP NA NA +PJ047924 PPCKKMM C35H63N9O8S3 833.3962 NA PeJP NA NA +PJ047925 GEMRRW C35H55N13O9S 833.3967 NA PeJP NA NA +MJ095804 Agardhipeptin A C43H51N11O7 833.397293 NA MeJP NA NA +PJ047926 TRWWW C43H51N11O7 833.3973 NA PeJP NA NA +7044 potential coeliac toxic peptide (extended motif) PFPPQQPYPQPQPF 833.3975 MH2+ Inhouse_peptide NA peptide +PJ047927 GSTEERR C31H55N13O14 833.3992 NA PeJP NA NA +PJ047928 PPVVEMY C39H59N7O11S 833.3994 NA PeJP NA NA +PJ047929 APTCMRR C32H59N13O9S2 833.4 NA PeJP NA NA +PJ047930 GSPMMRR C32H59N13O9S2 833.4001 NA PeJP NA NA +PJ047931 NDHHRR C32H51N17O10 833.4005 NA PeJP NA NA +PJ047932 GVMRWW C40H55N11O7S 833.4007 NA PeJP NA NA +PJ047933 TTLLEEE C35H59N7O16 833.4019 NA PeJP NA NA +PJ047934 PTLLEMM C36H63N7O11S2 833.4027 NA PeJP NA NA +PJ047935 SKEERW C36H55N11O12 833.4032 NA PeJP NA NA +3203 chymosin inhibitor (fr,99-105 of bovine k-casein) PHPHLSF 833.404 celiac toxic Inhouse_peptide NA peptide +PJ047936 LMMHFR C37H59N11O7S2 833.4041 NA PeJP NA NA +PJ047937 AQHHRW C37H51N15O8 833.4045 NA PeJP NA NA +PJ047938 GAAHHRW C37H51N15O8 833.4046 NA PeJP NA NA +PJ047939 AAKEEMR C33H59N11O12S 833.4066 NA PeJP NA NA +PJ047940 SVKEWW C41H55N9O10 833.4072 NA PeJP NA NA +PJ047941 GPCKHHR C34H55N15O8S 833.4079 NA PeJP NA NA +PJ047942 SSSNQRR C30H55N15O13 833.4104 NA PeJP NA NA +PJ047943 LQKEMW C38H59N9O10S 833.4106 NA PeJP NA NA +PJ047944 VQFFFF C46H55N7O8 833.4112 NA PeJP NA NA +PJ047945 GGLFFFF C46H55N7O8 833.4113 NA PeJP NA NA +PJ047946 MRRWW C39H55N13O6S 833.4119 NA PeJP NA NA +PJ047947 ATKKEEE C34H59N9O15 833.4131 NA PeJP NA NA +PJ047948 APKKEMM C35H63N9O10S2 833.414 NA PeJP NA NA +PJ047949 STERRW C35H55N13O11 833.4144 NA PeJP NA NA +PJ047950 GGGGGVQFR C35H55N13O11 833.4145 NA PeJP NA NA +PJ047951 VKMFFY C43H59N7O8S 833.4146 NA PeJP NA NA +PJ047952 APLLEEY C39H59N7O13 833.4171 NA PeJP NA NA +PJ047953 DKEMRR C32H59N13O11S 833.4178 NA PeJP NA NA +PJ047954 PPVLMMF C40H63N7O8S2 833.418 NA PeJP NA NA +PJ047955 SSLRWW C40H55N11O9 833.4185 NA PeJP NA NA +PJ047956 SLLLEEM C36H63N7O13S 833.4205 NA PeJP NA NA +PJ047957 PVLLMMM C37H67N7O8S3 833.4214 NA PeJP NA NA +PJ047958 VDKMRW C37H59N11O9S 833.4218 NA PeJP NA NA +PJ047959 APKFWW C45H55N9O7 833.4225 NA PeJP NA NA +PJ047960 ATTKEER C33H59N11O14 833.4243 NA PeJP NA NA +PJ047961 APTKMMR C34H63N11O9S2 833.4252 NA PeJP NA NA +PJ047962 NNQFRR C34H55N15O10 833.4257 NA PeJP NA NA +PJ047963 ALKMWW C42H59N9O7S 833.4259 NA PeJP NA NA +PJ047964 GTTLKEW C38H59N9O12 833.4283 NA PeJP NA NA +PJ047965 GGSTTLLW C38H59N9O12 833.4284 NA PeJP NA NA +PJ047966 SEMRRR C31H59N15O10S 833.429 NA PeJP NA NA +PJ047967 GGGTCKRR C31H59N15O10S 833.4291 NA PeJP NA NA +PJ047968 GPRRYW C39H55N13O8 833.4297 NA PeJP NA NA +PJ047969 GLKKEEM C35H63N9O12S 833.4317 NA PeJP NA NA +PJ047970 VVKYYY C43H59N7O10 833.4324 NA PeJP NA NA +PJ047971 SVMRRW C36H59N13O8S 833.4331 NA PeJP NA NA +PJ047972 SSTQQKR C32H59N13O13 833.4355 NA PeJP NA NA +PJ047973 SSSLERR C32H59N13O13 833.4356 NA PeJP NA NA +PJ047974 PPTLLMY C40H63N7O10S 833.4357 NA PeJP NA NA +PJ047975 PVVLEMF C40H63N7O10S 833.4358 NA PeJP NA NA +PJ047976 LQMMRR C33H63N13O8S2 833.4364 NA PeJP NA NA +PJ047977 TQHHRR C33H55N17O9 833.4369 NA PeJP NA NA +PJ047978 VVLLEMM C37H67N7O10S2 833.4391 NA PeJP NA NA +PJ047979 GTTTLRW C37H59N11O11 833.4396 NA PeJP NA NA +PJ047980 AKHHRW C38H55N15O7 833.4409 NA PeJP NA NA +PJ047981 PTTTKMR C34H63N11O11S 833.4429 NA PeJP NA NA +PJ047982 GTLKEMR C34H63N11O11S 833.443 NA PeJP NA NA +PJ047983 TTLKWW C42H59N9O9 833.4436 NA PeJP NA NA +PJ047984 PCFRRR C35H59N15O7S 833.4443 NA PeJP NA NA +PJ047985 SSSNKRR C31H59N15O12 833.4468 NA PeJP NA NA +PJ047986 LKKEMW C39H63N9O9S 833.447 NA PeJP NA NA +PJ047987 VKFFFF C47H59N7O7 833.4476 NA PeJP NA NA +PJ047988 CLMRRR C32H63N15O7S2 833.4477 NA PeJP NA NA +PJ047989 STLKKEE C35H63N9O14 833.4495 NA PeJP NA NA +PJ047990 SPLKKMM C36H67N9O9S2 833.4503 NA PeJP NA NA +PJ047991 PVTKKMM C36H67N9O9S2 833.4504 NA PeJP NA NA +PJ047992 PDKRRY C36H59N13O10 833.4508 NA PeJP NA NA +PJ047993 SPLLLEY C40H63N7O12 833.4535 NA PeJP NA NA +PJ047994 GTTLMRR C33H63N13O10S 833.4542 NA PeJP NA NA +PJ047995 PTKFRW C41H59N11O8 833.4548 NA PeJP NA NA +PJ047996 GGVLFRW C41H59N11O8 833.4549 NA PeJP NA NA +PJ047997 TLKMRW C38H63N11O8S 833.4582 NA PeJP NA NA +PJ047998 STTLKER C34H63N11O13 833.4607 NA PeJP NA NA +PJ047999 GVLKMMR C35H67N11O8S2 833.4616 NA PeJP NA NA +PJ048000 SPRRRY C35H59N15O9 833.4621 NA PeJP NA NA +PJ048001 SSTLLKW C39H63N9O11 833.4647 NA PeJP NA NA +PJ048002 GGGAALLLY C39H63N9O11 833.4648 NA PeJP NA NA +PJ048003 GSCKKRR C32H63N15O9S 833.4654 NA PeJP NA NA +PJ048004 GLFRRW C40H59N13O7 833.4661 NA PeJP NA NA +PJ048005 SVLKKEM C36H67N9O11S 833.4681 NA PeJP NA NA +MJ095805 Myxochromide A C44H63N7O9 833.468726 NA MeJP NA NA +PJ048006 PPVVLFY C44H63N7O9 833.4688 NA PeJP NA NA +PJ048007 PKMFRR C37H63N13O7S 833.4695 NA PeJP NA NA +PJ048008 STTTLRR C33H63N13O12 833.4719 NA PeJP NA NA +PJ048009 GGSTTKKR C33H63N13O12 833.472 NA PeJP NA NA +PJ048010 PVVLLMY C41H67N7O9S 833.4721 NA PeJP NA NA +PJ048011 LKMMRR C34H67N13O7S2 833.4728 NA PeJP NA NA +PJ048012 TKHHRR C34H59N17O8 833.4733 NA PeJP NA NA +2587 tenecin-1 (33-42) YCNGKRVCVC~ 833.4739 NA Inhouse_peptide NA peptide +PJ048013 TLLLLMM C38H71N7O9S2 833.4755 NA PeJP NA NA +PJ048014 GSTKKKW C38H63N11O10 833.476 NA PeJP NA NA +PJ048015 SSLLKMR C35H67N11O10S 833.4793 NA PeJP NA NA +PJ048016 GDKKKKM C35H67N11O10S 833.4794 NA PeJP NA NA +PJ048017 PLKKYW C43H63N9O8 833.48 NA PeJP NA NA +PJ048018 APLKKMF C40H67N9O8S 833.4834 NA PeJP NA NA +PJ048019 SSSSLLLK C36H67N9O13 833.4859 NA PeJP NA NA +PJ048020 ALLKKMM C37H71N9O8S2 833.4867 NA PeJP NA NA +PJ048021 VLQRRY C37H63N13O9 833.4872 NA PeJP NA NA +PJ048022 ALLLLEY C41H67N7O11 833.4899 NA PeJP NA NA +PJ048023 GSKKKMR C34H67N13O9S 833.4906 NA PeJP NA NA +PJ048024 VVKFRW C42H63N11O7 833.4912 NA PeJP NA NA +PJ048025 SSKKKKE C35H67N11O12 833.4971 NA PeJP NA NA +PJ048026 ALRRRY C36H63N15O8 833.4984 NA PeJP NA NA +PJ048027 GPVLHRR C36H63N15O8 833.4985 NA PeJP NA NA +PJ048028 SPVLKKY C40H67N9O10 833.5011 NA PeJP NA NA +PJ048029 TTLLKKM C37H71N9O10S 833.5045 NA PeJP NA NA +PJ048030 PVVLLFF C45H67N7O8 833.5052 NA PeJP NA NA +PJ048031 SSTKKKR C34H67N13O11 833.5083 NA PeJP NA NA +PJ048032 VVLLLMF C42H71N7O8S 833.5085 NA PeJP NA NA +PJ048033 PLHRRR C35H63N17O7 833.5097 NA PeJP NA NA +PJ048034 AALLKRY C39H67N11O9 833.5124 NA PeJP NA NA +PJ048035 ATKKKKM C36H71N11O9S 833.5157 NA PeJP NA NA +PJ048036 LLKKFW C44H67N9O7 833.5164 NA PeJP NA NA +HMDB12395 PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H76NO10P 833.520691 NA HMDB2010 NA NA +HMDB12427 PS(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) C46H76NO10P 833.520691 NA HMDB2010 NA NA +HMDB12437 PS(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) C46H76NO10P 833.520691 NA HMDB2010 NA NA +HMDB12445 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) C46H76NO10P 833.520691 NA HMDB2010 NA NA +PJ048037 VLKRRY C38H67N13O8 833.5236 NA PeJP NA NA +PJ048038 SLLLLLY C42H71N7O10 833.5263 NA PeJP NA NA +PJ048039 TTTKKKK C36H71N11O11 833.5335 NA PeJP NA NA +PJ048040 GLLLKKY C41H71N9O9 833.5375 NA PeJP NA NA +PJ048041 GVKKKKF C40H71N11O8 833.5487 NA PeJP NA NA +MJ095806 Aurilide C44H75N5O10 833.551393 NA MeJP NA NA +PJ048042 KKKKFR C39H71N13O7 833.56 NA PeJP NA NA +PJ048043 LLLLLLH C42H75N9O8 833.5739 NA PeJP NA NA +EUR990 PC 38:3 [M+Na]+ C46H86NO8P 833.591053 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR990 PC 38:3 [M+Na]+ C46H86NO8P 833.591053 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR990 PC 38:3 [M+Na]+ C46H86NO8P 833.591053 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR990 PC 38:3 [M+Na]+ C46H86NO8P 833.591053 masses lipides attendues Inhousejuil11 NA NA +HMDB08057 PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08088 PC(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08089 PC(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08121 PC(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08122 PC(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08153 PC(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08251 PC(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08314 PC(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08345 PC(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08346 PC(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08376 PC(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08377 PC(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08408 PC(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08409 PC(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08440 PC(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08473 PC(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08505 PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08601 PC(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08631 PC(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08662 PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08663 PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08695 PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08696 PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) C48H84NO8P 833.593445 NA HMDB2010 NA NA +HMDB08727 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) C48H84NO8P 833.593445 NA HMDB2010 NA NA +EUR1014 PC 40:6 monoisotopic mass C48H84NO8P 833.593457 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1014 PC 40:6 monoisotopic mass C48H84NO8P 833.593457 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1014 PC 40:6 monoisotopic mass C48H84NO8P 833.593457 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1014 PC 40:6 monoisotopic mass C48H84NO8P 833.593457 masses lipides attendues Inhousejuil11 NA NA +EUR962 PC 36:1 [M+FA-H]- C44H86NO8P 833.613987 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR962 PC 36:1 [M+FA-H]- C44H86NO8P 833.613987 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR962 PC 36:1 [M+FA-H]- C44H86NO8P 833.613987 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR962 PC 36:1 [M+FA-H]- C44H86NO8P 833.613987 masses lipides attendues Inhousejuil11 NA NA +EUR1125 SM(d18:1/24:2) [M+Na]+ C47H92N2O6P 833.651247 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1125 SM(d18:1/24:2) [M+Na]+ C47H92N2O6P 833.651247 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1125 SM(d18:1/24:2) [M+Na]+ C47H92N2O6P 833.651247 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1125 SM(d18:1/24:2) [M+Na]+ C47H92N2O6P 833.651247 masses lipides attendues Inhousejuil11 NA NA +EUR1139 SM(d18:1/26:5) monoisotopic mass C49H90N2O6P 833.653651 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1139 SM(d18:1/26:5) monoisotopic mass C49H90N2O6P 833.653651 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1139 SM(d18:1/26:5) monoisotopic mass C49H90N2O6P 833.653651 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1139 SM(d18:1/26:5) monoisotopic mass C49H90N2O6P 833.653651 masses lipides attendues Inhousejuil11 NA NA +PJ048044 GCCCCCDE C26H42N8O13S5 834.1475 NA PeJP NA NA +PJ048045 CCCCCDW C30H42N8O10S5 834.1628 NA PeJP NA NA +PJ048046 SSCCCCDD C26H42N8O15S4 834.1653 NA PeJP NA NA +PJ048047 PTCCCCCC C27H46N8O10S6 834.1662 NA PeJP NA NA +PJ048048 GSCCCCEM C27H46N8O12S5 834.1839 NA PeJP NA NA +PJ048049 CCCNDDY C30H42N8O14S3 834.1983 NA PeJP NA NA +PJ048050 SCCCCMW C31H46N8O9S5 834.1992 NA PeJP NA NA +PJ048051 SSSCCCDM C27H46N8O14S4 834.2017 NA PeJP NA NA +PJ048052 CCCNMMM C28H50N8O9S6 834.2025 NA PeJP NA NA +MJ095807 10-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,7-dihydroxy-2H-1-benzopyran-4-yl]-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,9-triol C45H38O16 834.215985 NA MeJP NA NA +MJ095808 3,3',4',7-Tetrahydroxyflavan(4?8)-3,3',4',6,8-pentahydroxyflavan(6?4)-3,3',4',7-tetrahydroxyflavan C45H38O16 834.215985 NA MeJP NA NA +MJ095809 3,4',5,7-Tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan(4?8)-3,4,4',5,7-pentahydroxyflavan C45H38O16 834.215985 NA MeJP NA NA +MJ095810 4,8-Bis(2,4-dihydroxyphenyl)2,6,10-tris(3,4-dihydroxyphenyl)-3,4,7,8,11,12-hexahydro-2H,6H,10H-benzo[1,2-b,3,4-b',5,6-b'']tripyran-3,7,11-triol C45H38O16 834.215985 NA MeJP NA NA +MJ095811 4-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,7-dihydroxy-2H-1-benzopyran-4-yl]-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,9-triol C45H38O16 834.215985 NA MeJP NA NA +C10225 ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol C45H38O16 834.216 NA KEGG NA NA +PJ048053 GSPCCCCY C31H46N8O11S4 834.2169 NA PeJP NA NA +PJ048054 GSTCCCMM C28H50N8O11S5 834.2203 NA PeJP NA NA +PJ048055 CCNDDEH C29H42N10O15S2 834.2273 NA PeJP NA NA +PJ048056 ACCCCFW C35H46N8O8S4 834.2322 NA PeJP NA NA +PJ048057 SCCNDMY C31H46N8O13S3 834.2347 NA PeJP NA NA +MJ095812 Aloeemodin dianthrone; 5,5'-Di-O-D-glucopyranoside C42H42O18 834.237114 NA MeJP NA NA +PJ048058 SSSSCCMM C28H50N8O13S4 834.238 NA PeJP NA NA +PJ048059 GCCDDHW C33H42N10O12S2 834.2425 NA PeJP NA NA +PJ048060 GSSCDDDH C29H42N10O17S 834.2451 NA PeJP NA NA +PJ048061 GSPCCCEH C30H46N10O12S3 834.2459 NA PeJP NA NA +PJ048062 GTCCCYW C35H46N8O10S3 834.2499 NA PeJP NA NA +PJ048063 GSPDDDDD C30H42N8O20 834.2516 NA PeJP NA NA +PJ048064 GSSSCCEY C31H46N8O15S2 834.2524 NA PeJP NA NA +PJ048065 GPPCCDDE C31H46N8O15S2 834.2525 NA PeJP NA NA +PJ048066 GCCQMMY C32H50N8O10S4 834.2533 NA PeJP NA NA +PJ048067 CCNNNMH C29H46N12O11S3 834.2571 NA PeJP NA NA +PJ048068 GGCCNNMH C29H46N12O11S3 834.2572 NA PeJP NA NA +PJ048069 SPCCCHW C34H46N10O9S3 834.2612 NA PeJP NA NA +PJ048070 NNNDDDE C29H42N10O19 834.2628 NA PeJP NA NA +PJ048071 SCNDEMH C30H46N10O14S2 834.2637 NA PeJP NA NA +PJ048072 GCCCMRY C31H50N10O9S4 834.2645 NA PeJP NA NA +PJ048073 GGPCCMMH C31H50N10O9S4 834.2646 NA PeJP NA NA +PJ048074 SSSCCYW C35H46N8O12S2 834.2677 NA PeJP NA NA +PJ048075 SSSSSCDY C31H46N8O17S 834.2702 NA PeJP NA NA +PJ048076 SSCNMMY C32H50N8O12S3 834.271 NA PeJP NA NA +PJ048077 GGSSCMMY C32H50N8O12S3 834.2711 NA PeJP NA NA +PJ048078 DDEMYY C36H46N6O15S 834.2742 NA PeJP NA NA +PJ048079 SCCDDHR C29H46N12O13S2 834.2749 NA PeJP NA NA +PJ048080 GNNDDDW C33H42N10O16 834.2781 NA PeJP NA NA +PJ048081 EMMMMY C34H54N6O10S4 834.2785 NA PeJP NA NA +PJ048082 GSCDMHW C34H46N10O11S2 834.2789 NA PeJP NA NA +PJ048083 PCDDDDR C30H46N10O16S 834.2814 NA PeJP NA NA +PJ048084 GGGGGSPCDE C30H46N10O16S 834.2815 NA PeJP NA NA +PJ048085 STCCCRY C31H50N10O11S3 834.2823 NA PeJP NA NA +PJ048086 CCNFYW C39H46N8O9S2 834.2829 NA PeJP NA NA +PJ048087 GGCCFYW C39H46N8O9S2 834.283 NA PeJP NA NA +PJ048088 GSCNEYY C35H46N8O14S 834.2854 NA PeJP NA NA +PJ048089 GPDDDMW C35H46N8O14S 834.2855 NA PeJP NA NA +PJ048090 GCCQMFF C36H50N8O9S3 834.2863 NA PeJP NA NA +PJ048091 GNEEEEE C31H46N8O19 834.288 NA PeJP NA NA +PJ048092 GSSSTCMY C32H50N8O14S2 834.2888 NA PeJP NA NA +PJ048093 GCCKMMY C33H54N8O9S4 834.2897 NA PeJP NA NA +PJ048094 SSSSCNNH C29H46N12O15S 834.2927 NA PeJP NA NA +PJ048095 DEMMFY C37H50N6O12S2 834.2928 NA PeJP NA NA +PJ048096 GCCEMHR C30H50N12O10S3 834.2935 NA PeJP NA NA +PJ048097 GGGACCCKH C30H50N12O10S3 834.2936 NA PeJP NA NA +PJ048098 TCCHWW C38H46N10O8S2 834.2942 NA PeJP NA NA +PJ048099 SSSCEHW C34H46N10O13S 834.2967 NA PeJP NA NA +PJ048100 CQMMHW C35H50N10O8S3 834.2976 NA PeJP NA NA +PJ048101 GDDDEER C30H46N10O18 834.2992 NA PeJP NA NA +PJ048102 SSNEMMH C31H50N10O13S2 834.3 NA PeJP NA NA +PJ048103 GGSSEMMH C31H50N10O13S2 834.3001 NA PeJP NA NA +PJ048104 PCDEWW C39H46N8O11S 834.3007 NA PeJP NA NA +PJ048105 GCNMHHH C32H46N14O9S2 834.3014 NA PeJP NA NA +PJ048106 NEEEEW C35H46N8O16 834.3032 NA PeJP NA NA +PJ048107 SPPCDMW C36H50N8O11S2 834.3041 NA PeJP NA NA +PJ048108 SSSSSSMY C32H50N8O16S 834.3066 NA PeJP NA NA +PJ048109 PDDYYY C40H46N6O14 834.3072 NA PeJP NA NA +PJ048110 STCCKMY C33H54N8O11S3 834.3074 NA PeJP NA NA +PJ048111 GGPPDMMM C33H54N8O11S3 834.3075 NA PeJP NA NA +PJ048112 GCNNNQW C33H46N12O12S 834.3079 NA PeJP NA NA +PJ048113 GGGGGGGGACW C33H46N12O12S 834.308 NA PeJP NA NA +PJ048114 CCMHRW C34H50N12O7S3 834.3088 NA PeJP NA NA +PJ048115 SNNDDDR C29H46N12O17 834.3104 NA PeJP NA NA +PJ048116 GGGGGGGGGSSE C29H46N12O17 834.3105 NA PeJP NA NA +PJ048117 TEEMYY C37H50N6O14S 834.3106 NA PeJP NA NA +PJ048118 SSCDMHR C30H50N12O12S2 834.3113 NA PeJP NA NA +PJ048119 PMMMYY C38H54N6O9S3 834.3115 NA PeJP NA NA +PJ048120 CNEHFW C38H46N10O10S 834.3119 NA PeJP NA NA +PJ048121 GGCEHFW C38H46N10O10S 834.312 NA PeJP NA NA +PJ048122 GSNNEEW C34H46N10O15 834.3144 NA PeJP NA NA +PJ048123 DDDERW C34H46N10O15 834.3145 NA PeJP NA NA +PJ048124 GSSMMHW C35H50N10O10S2 834.3153 NA PeJP NA NA +MJ095813 Nagilactone A; 1-Deoxy, 2?-hydroxy, 2-O-[?-D-glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C37H54O21 834.315758 NA MeJP NA NA +MJ095814 Nagilactone A; 1-Deoxy, 2?-hydroxy, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] C37H54O21 834.315758 NA MeJP NA NA +PJ048125 SPDDDMR C31H50N10O15S 834.3178 NA PeJP NA NA +PJ048126 GEEEWW C39H46N8O13 834.3185 NA PeJP NA NA +PJ048127 PPCCEMR C32H54N10O10S3 834.3187 NA PeJP NA NA +PJ048128 SSCQHHH C32H46N14O11S 834.3191 NA PeJP NA NA +PJ048129 GGSTCHHH C32H46N14O11S 834.3192 NA PeJP NA NA +PJ048130 GSPEEMW C36H50N8O13S 834.3218 NA PeJP NA NA +PJ048131 GGPPDDMF C36H50N8O13S 834.3219 NA PeJP NA NA +PJ048132 APPCMMW C37H54N8O8S3 834.3227 NA PeJP NA NA +PJ048133 GDKEEEE C32H50N8O18 834.3243 NA PeJP NA NA +PJ048134 GAATEEEE C32H50N8O18 834.3244 NA PeJP NA NA +MJ095815 Cratoxyxanthone C48H50O13 834.325141 NA MeJP NA NA +PJ048135 APQEEMM C33H54N8O13S2 834.3252 NA PeJP NA NA +PJ048136 SSNNNNW C33H46N12O14 834.3257 NA PeJP NA NA +PJ048137 PDMFYY C41H50N6O11S 834.3259 NA PeJP NA NA +PJ048138 GPCCHRY C34H50N12O9S2 834.3265 NA PeJP NA NA +PJ048139 GPCCNRW C34H50N12O9S2 834.3266 NA PeJP NA NA +PJ048140 GCHFWW C42H46N10O7S 834.3272 NA PeJP NA NA +PJ048141 ANNDDMR C30H50N12O14S 834.329 NA PeJP NA NA +PJ048142 GNNDEMR C30H50N12O14S 834.3291 NA PeJP NA NA +PJ048143 VEMMYY C38H54N6O11S2 834.3292 NA PeJP NA NA +PJ048144 SNNEWW C38H46N10O12 834.3297 NA PeJP NA NA +PJ048145 GTCMMHR C31H54N12O9S3 834.3299 NA PeJP NA NA +PJ048146 SSSTMHW C35H50N10O12S 834.3331 NA PeJP NA NA +PJ048147 EEWWW C43H46N8O10 834.3337 NA PeJP NA NA +PJ048148 CKMMHW C36H54N10O7S3 834.3339 NA PeJP NA NA +PJ048149 GSEEEER C31H50N10O17 834.3356 NA PeJP NA NA +PJ048150 APDDMMR C32H54N10O12S2 834.3364 NA PeJP NA NA +PJ048151 GPDEMMR C32H54N10O12S2 834.3365 NA PeJP NA NA +PJ048152 GSSSSHHH C32H46N14O13 834.3369 NA PeJP NA NA +PJ048153 SPEMWW C40H50N8O10S 834.3371 NA PeJP NA NA +PJ048154 ACCKHHH C33H50N14O8S2 834.3378 NA PeJP NA NA +PJ048155 DKEEEW C36H50N8O15 834.3396 NA PeJP NA NA +PJ048156 GCNDDRR C29H50N14O13S 834.3403 NA PeJP NA NA +PJ048157 AAPEMMW C37H54N8O10S2 834.3405 NA PeJP NA NA +PJ048158 GSPDHHW C37H46N12O11 834.3409 NA PeJP NA NA +PJ048159 GLQEEEM C33H54N8O15S 834.343 NA PeJP NA NA +PJ048160 PTEYYY C41H50N6O13 834.3436 NA PeJP NA NA +PJ048161 PPTQMMM C34H58N8O10S3 834.3438 NA PeJP NA NA +PJ048162 NNDMRW C34H50N12O11S 834.3443 NA PeJP NA NA +PJ048163 PMMFFY C42H54N6O8S2 834.3445 NA PeJP NA NA +PJ048164 GSNWWW C42H46N10O9 834.345 NA PeJP NA NA +PJ048165 MHHHHH C35H46N16O7S 834.3457 NA PeJP NA NA +PJ048166 SSNNEER C30H50N12O16 834.3468 NA PeJP NA NA +PJ048167 SSSMMHR C31H54N12O11S2 834.3477 NA PeJP NA NA +PJ048168 LMMMFY C39H58N6O8S3 834.3479 NA PeJP NA NA +PJ048169 GQQMWW C39H50N10O9S 834.3483 NA PeJP NA NA +PJ048170 SEEERW C35H50N10O14 834.3508 NA PeJP NA NA +PJ048171 GGGGGAAPEY C35H50N10O14 834.3509 NA PeJP NA NA +PJ048172 PDMMRW C36H54N10O9S2 834.3517 NA PeJP NA NA +PJ048173 NNQHHW C36H46N14O10 834.3522 NA PeJP NA NA +PJ048174 PPCFWW C44H50N8O7S 834.3524 NA PeJP NA NA +PJ048175 AAEEEMR C32H54N10O14S 834.3542 NA PeJP NA NA +PJ048176 SVEEWW C40H50N8O12 834.3548 NA PeJP NA NA +PJ048177 TLDDWW C40H50N8O12 834.3549 NA PeJP NA NA +PJ048178 PPTCMMR C33H58N10O9S3 834.3551 NA PeJP NA NA +PJ048179 APCDHHR C33H50N14O10S 834.3555 NA PeJP NA NA +PJ048180 GPCEHHR C33H50N14O10S 834.3556 NA PeJP NA NA +PJ048181 PCLMWW C41H54N8O7S2 834.3557 NA PeJP NA NA +PJ048182 GSSSNNNR C29H50N14O15 834.358 NA PeJP NA NA +PJ048183 GGGGGSSSNR C29H50N14O15 834.3581 NA PeJP NA NA +PJ048184 LQEEMW C37H54N8O12S 834.3582 NA PeJP NA NA +PJ048185 PDFFFY C45H50N6O10 834.3589 NA PeJP NA NA +PJ048186 GCQRWW C38H50N12O8S 834.3596 NA PeJP NA NA +PJ048187 ATKEEEE C33H54N8O17 834.3607 NA PeJP NA NA +PJ048188 APKEEMM C34H58N8O12S2 834.3616 NA PeJP NA NA +PJ048189 GSSNERW C34H50N12O13 834.3621 NA PeJP NA NA +PJ048190 PVMYYY C42H54N6O10S 834.3622 NA PeJP NA NA +PJ048191 NMMHFR C35H54N12O8S2 834.3629 NA PeJP NA NA +PJ048192 GPNHHHH C35H46N16O9 834.3634 NA PeJP NA NA +PJ048193 DEEMRR C31H54N12O13S 834.3654 NA PeJP NA NA +PJ048194 GGGGATEMR C31H54N12O13S 834.3655 NA PeJP NA NA +PJ048195 SNDKWW C39H50N10O11 834.3661 NA PeJP NA NA +PJ048196 NQKEMW C36H54N10O11S 834.3694 NA PeJP NA NA +PJ048197 VDEMRW C36H54N10O11S 834.3695 NA PeJP NA NA +PJ048198 SPPYWW C44H50N8O9 834.3701 NA PeJP NA NA +PJ048199 PCHHRW C37H50N14O7S 834.3708 NA PeJP NA NA +PJ048200 SSTTTTTH C32H54N10O16 834.3719 NA PeJP NA NA +PJ048201 ATTEEER C32H54N10O16 834.372 NA PeJP NA NA +PJ048202 APTEMMR C33H58N10O11S2 834.3728 NA PeJP NA NA +PJ048203 GGGGGGVLMM C33H58N10O11S2 834.3729 NA PeJP NA NA +PJ048204 GNNNNFR C33H50N14O12 834.3733 NA PeJP NA NA +PJ048205 ALEMWW C41H54N8O9S 834.3735 NA PeJP NA NA +PJ048206 GTTLEEW C37H54N8O14 834.376 NA PeJP NA NA +PJ048207 GSNDMRR C30H54N14O12S 834.3767 NA PeJP NA NA +PJ048208 GPTLMMW C38H58N8O9S2 834.3768 NA PeJP NA NA +PJ048209 ASPLMMW C38H58N8O9S2 834.3769 NA PeJP NA NA +PJ048210 SSNRWW C38H50N12O10 834.3773 NA PeJP NA NA +PJ048211 PMFFFF C46H54N6O7S 834.3775 NA PeJP NA NA +PJ048212 PTTKEEM C34H58N8O14S 834.3793 NA PeJP NA NA +PJ048213 GLKEEEM C34H58N8O14S 834.3794 NA PeJP NA NA +PJ048214 VVEYYY C42H54N6O12 834.38 NA PeJP NA NA +PJ048215 PPTKMMM C35H62N8O9S3 834.3802 NA PeJP NA NA +PJ048216 SQQMRW C35H54N12O10S 834.3807 NA PeJP NA NA +PJ048217 LMMFFF C43H58N6O7S2 834.3809 NA PeJP NA NA +PJ048218 AQHFFW C43H50N10O8 834.3813 NA PeJP NA NA +PJ048219 GAAHFFW C43H50N10O8 834.3814 NA PeJP NA NA +PJ048220 SSNDKER C31H54N12O15 834.3832 NA PeJP NA NA +PJ048221 AAQQMMR C32H58N12O10S2 834.3841 NA PeJP NA NA +PJ048222 DDHHRR C32H50N16O11 834.3845 NA PeJP NA NA +PJ048223 GGGGGTHHR C32H50N16O11 834.3846 NA PeJP NA NA +PJ048224 GQKMWW C40H54N10O8S 834.3847 NA PeJP NA NA +PJ048225 GSTQKEW C36H54N10O13 834.3872 NA PeJP NA NA +PJ048226 APCCKKW C37H58N10O8S2 834.3881 NA PeJP NA NA +PJ048227 NKHHHY C37H50N14O9 834.3885 NA PeJP NA NA +PJ048228 AEHHRW C37H50N14O9 834.3886 NA PeJP NA NA +PJ048229 GTLEEMR C33H58N10O13S 834.3906 NA PeJP NA NA +PJ048230 TTLEWW C41H54N8O11 834.3912 NA PeJP NA NA +PJ048231 GAAPPEFF C41H54N8O11 834.3913 NA PeJP NA NA +PJ048232 GPLMMMR C34H62N10O8S3 834.3915 NA PeJP NA NA +PJ048233 SCQRRW C34H54N14O9S 834.3919 NA PeJP NA NA +PJ048234 GLHHWW C42H50N12O7 834.3926 NA PeJP NA NA +PJ048235 SSSNERR C30H54N14O14 834.3944 NA PeJP NA NA +MJ095816 Glabrin B C38H58N8O11S 834.394575 NA MeJP NA NA +PJ048236 LKEEMW C38H58N8O11S 834.3946 NA PeJP NA NA +PJ048237 PVFFYY C46H54N6O9 834.3953 NA PeJP NA NA +PJ048238 GCKRWW C39H54N12O7S 834.396 NA PeJP NA NA +PJ048239 STLKEEE C34H58N8O16 834.3971 NA PeJP NA NA +PJ048240 SPLKEMM C35H62N8O11S2 834.398 NA PeJP NA NA +PJ048241 GSTTQRW C35H54N12O12 834.3984 NA PeJP NA NA +PJ048242 GSSDKRW C35H54N12O12 834.3985 NA PeJP NA NA +PJ048243 VLMFYY C43H58N6O9S 834.3986 NA PeJP NA NA +PJ048244 GSQKEMR C32H58N12O12S 834.4018 NA PeJP NA NA +PJ048245 STQKWW C40H54N10O10 834.4025 NA PeJP NA NA +MJ095817 2,3,6,19,23-Pentahydroxy-12-ursen-28-oic acid, 23-O-(3,4,5-Trihydroxybenzoyl), 28-O-?-D-glucopyranosyl ester C43H62O16 834.403785 NA MeJP NA NA +PJ048246 TLEMRW C37H58N10O10S 834.4058 NA PeJP NA NA +PJ048247 GGKKEMW C37H58N10O10S 834.4059 NA PeJP NA NA +PJ048248 APLYWW C45H54N8O8 834.4065 NA PeJP NA NA +PJ048249 STTLEER C33H58N10O15 834.4083 NA PeJP NA NA +PJ048250 GGSTKKEE C33H58N10O15 834.4084 NA PeJP NA NA +PJ048251 GVLEMMR C34H62N10O10S2 834.4092 NA PeJP NA NA +PJ048252 GSSSRRW C34H54N14O11 834.4097 NA PeJP NA NA +PJ048253 SLLMWW C42H58N8O8S 834.4099 NA PeJP NA NA +PJ048254 SSTLLEW C38H58N8O13 834.4124 NA PeJP NA NA +PJ048255 SSVCQRR C31H58N14O11S 834.413 NA PeJP NA NA +PJ048256 GSTQMRR C31H58N14O11S 834.4131 NA PeJP NA NA +PJ048257 AALLMMW C39H62N8O8S2 834.4132 NA PeJP NA NA +PJ048258 AQQFRW C39H54N12O9 834.4137 NA PeJP NA NA +PJ048259 SVLKEEM C35H62N8O13S 834.4157 NA PeJP NA NA +PJ048260 TLLYYY C43H58N6O11 834.4164 NA PeJP NA NA +PJ048261 PVVKMMM C36H66N8O8S3 834.4166 NA PeJP NA NA +PJ048262 SQKMRW C36H58N12O9S 834.4171 NA PeJP NA NA +PJ048263 PPLHWW C44H54N10O7 834.4177 NA PeJP NA NA +PJ048264 SSTQKER C32H58N12O14 834.4196 NA PeJP NA NA +PJ048265 VVCCQKR C33H62N12O9S2 834.4204 NA PeJP NA NA +PJ048266 LEMMRR C33H62N12O9S2 834.4205 NA PeJP NA NA +PJ048267 TEHHRR C33H54N16O10 834.4209 NA PeJP NA NA +PJ048268 GKKMWW C41H58N10O7S 834.4211 NA PeJP NA NA +PJ048269 GSTKKEW C37H58N10O12 834.4236 NA PeJP NA NA +PJ048270 GSTCRRR C30H58N16O10S 834.4243 NA PeJP NA NA +PJ048271 VLMMRW C38H62N10O7S2 834.4245 NA PeJP NA NA +PJ048272 GNFRRW C38H54N14O8 834.4249 NA PeJP NA NA +MJ095818 1-Dodecanol; O-[2,4-Di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-2,4-di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside] C40H66O18 834.424915 NA MeJP NA NA +MJ095819 1-Dodecanol; O-[3,4-Di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-2,4-di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside] C40H66O18 834.424915 NA MeJP NA NA +MJ095820 Mezzettiaside 7; 3''-Deglycosyl, 2''-Ac C40H66O18 834.424915 NA MeJP NA NA +MJ095821 Mezzettiaside 7; 3''-Deglycosyl, 3''-Ac C40H66O18 834.424915 NA MeJP NA NA +PJ048273 GGGFRRW C38H54N14O8 834.425 NA PeJP NA NA +PJ048274 SSLLEMR C34H62N10O12S 834.427 NA PeJP NA NA +PJ048275 PLKEYW C42H58N8O10 834.4276 NA PeJP NA NA +PJ048276 SCKRRW C35H58N14O8S 834.4283 NA PeJP NA NA +PJ048277 SSSDKRR C31H58N14O13 834.4308 NA PeJP NA NA +PJ048278 ATTLLMW C39H62N8O10S 834.431 NA PeJP NA NA +PJ048279 VLFFFY C47H58N6O8 834.4316 NA PeJP NA NA +PJ048280 NKMMRR C32H62N14O8S2 834.4317 NA PeJP NA NA +PJ048281 SSSSLLLE C35H62N8O15 834.4335 NA PeJP NA NA +PJ048282 ALLKEMM C36H66N8O10S2 834.4344 NA PeJP NA NA +PJ048283 GSTTKRW C36H58N12O11 834.4348 NA PeJP NA NA +PJ048284 GGGGGVLRY C36H58N12O11 834.4349 NA PeJP NA NA +PJ048285 GSKKEMR C33H62N12O11S 834.4382 NA PeJP NA NA +PJ048286 STKKWW C41H58N10O9 834.4388 NA PeJP NA NA +PJ048287 PTLRYW C41H58N10O9 834.4389 NA PeJP NA NA +PJ048288 VMHHRR C34H58N16O7S 834.4396 NA PeJP NA NA +MJ095822 Cryptoporic acid G C44H66O15 834.440171 NA MeJP NA NA +PJ048289 SSSSRRR C30H58N16O12 834.442 NA PeJP NA NA +PJ048290 DKKKMW C38H62N10O9S 834.4422 NA PeJP NA NA +PJ048291 ALLFWW C46H58N8O7 834.4429 NA PeJP NA NA +PJ048292 SSKKKEE C34H62N10O14 834.4447 NA PeJP NA NA +PJ048293 ATLLMMR C35H66N10O9S2 834.4456 NA PeJP NA NA +PJ048294 VNQRRY C35H58N14O10 834.4461 NA PeJP NA NA +PJ048295 TTTTLLW C39H62N8O12 834.4487 NA PeJP NA NA +PJ048296 PVVTKEY C39H62N8O12 834.4488 NA PeJP NA NA +PJ048297 GSTKMRR C32H62N14O10S 834.4494 NA PeJP NA NA +PJ048298 AQKFRW C40H58N12O8 834.4501 NA PeJP NA NA +PJ048299 TTLLKEM C36H66N8O12S 834.4521 NA PeJP NA NA +PJ048300 SKKMRW C37H62N12O8S 834.4535 NA PeJP NA NA +PJ048301 TTTTQKR C33H62N12O13 834.4559 NA PeJP NA NA +PJ048302 SSTKKER C33H62N12O13 834.456 NA PeJP NA NA +PJ048303 AAKKMMR C34H66N12O8S2 834.4568 NA PeJP NA NA +PJ048304 GQRRRY C34H58N16O9 834.4573 NA PeJP NA NA +PJ048305 SSSLKKW C38H62N10O11 834.46 NA PeJP NA NA +PJ048306 TTTILMR C35H66N10O11S 834.4633 NA PeJP NA NA +PJ048307 TTTLLMR C35H66N10O11S 834.4634 NA PeJP NA NA +PJ048308 LLLQYW C43H62N8O9 834.464 NA PeJP NA NA +PJ048309 SSTTKRR C32H62N14O12 834.4672 NA PeJP NA NA +PJ048310 APLLKMY C40H66N8O9S 834.4674 NA PeJP NA NA +PJ048311 PNHRRR C33H58N18O8 834.4685 NA PeJP NA NA +PJ048312 GGPHRRR C33H58N18O8 834.4686 NA PeJP NA NA +PJ048313 SSTTTLLL C36H66N8O14 834.4699 NA PeJP NA NA +PJ048314 SLLLKMM C37H70N8O9S2 834.4707 NA PeJP NA NA +PJ048315 VLERRY C37H62N12O10 834.4712 NA PeJP NA NA +PJ048316 ATTKKMR C34H66N12O10S 834.4746 NA PeJP NA NA +PJ048317 VVLRYW C42H62N10O8 834.4752 NA PeJP NA NA +PJ048318 GGLKKFW C42H62N10O8 834.4753 NA PeJP NA NA +PJ048319 GVLLMFR C39H66N10O8S 834.4786 NA PeJP NA NA +PJ048320 TTTKKKE C35H66N10O13 834.4811 NA PeJP NA NA +PJ048321 GLKKKMM C36H70N10O8S2 834.482 NA PeJP NA NA +PJ048322 VNKRRY C36H62N14O9 834.4825 NA PeJP NA NA +PJ048323 GLLLKEY C40H66N8O11 834.4851 NA PeJP NA NA +PJ048324 GPPPLLLE C40H66N8O11 834.4852 NA PeJP NA NA +PJ048325 AKKFRW C41H62N12O7 834.4865 NA PeJP NA NA +PJ048326 LLMFRR C38H66N12O7S 834.4899 NA PeJP NA NA +PJ048327 TTTTKKR C34H66N12O12 834.4923 NA PeJP NA NA +PJ048328 GKRRRY C35H62N16O8 834.4937 NA PeJP NA NA +PJ048329 GTLLLRY C39H66N10O10 834.4964 NA PeJP NA NA +MJ095823 Dammarane-3,6,12,20,24,25-hexol, 6,20-Di-O-?-D-glucopyranoside C42H74O16 834.497686 NA MeJP NA NA +PJ048330 STLKKKM C36H70N10O10S 834.4997 NA PeJP NA NA +PJ048331 LLLKYW C44H66N8O8 834.5004 NA PeJP NA NA +PJ048332 ALLLKMF C41H70N8O8S 834.5038 NA PeJP NA NA +PJ048333 LQKKRY C38H66N12O9 834.5076 NA PeJP NA NA +PJ048334 VKKKFW C43H66N10O7 834.5116 NA PeJP NA NA +MJ095824 44-Homooligomycin A; 28-Oxo, 26-hydroxy C46H74O13 834.512942 NA MeJP NA NA +PJ048335 TKKFRR C37H66N14O8 834.5188 NA PeJP NA NA +PJ048336 SVLLLKY C41H70N8O10 834.5215 NA PeJP NA NA +8287 antioxidative peptide VLPVPQKKVLPVPQK 834.523 MH2+ Inhouse_peptide NA peptide +HMDB09784 PI(16:0/18:2(9Z,12Z)) C43H79O13P 834.525818 NA HMDB2010 NA NA +HMDB09800 PI(16:1(9Z)/18:1(11Z)) C43H79O13P 834.525818 NA HMDB2010 NA NA +HMDB09801 PI(16:1(9Z)/18:1(9Z)) C43H79O13P 834.525818 NA HMDB2010 NA NA +HMDB09803 PI(16:2(9Z,12Z)/18:0) C43H79O13P 834.525818 NA HMDB2010 NA NA +HMDB09807 PI(18:0/16:2(9Z,12Z)) C43H79O13P 834.525818 NA HMDB2010 NA NA +HMDB09823 PI(18:1(11Z)/16:1(9Z)) C43H79O13P 834.525818 NA HMDB2010 NA NA +HMDB09835 PI(18:1(9Z)/16:1(9Z)) C43H79O13P 834.525818 NA HMDB2010 NA NA +HMDB09846 PI(18:2(9Z,12Z)/16:0) C43H79O13P 834.525818 NA HMDB2010 NA NA +PJ048337 GVLKKKY C40H70N10O9 834.5328 NA PeJP NA NA +PJ048338 LKKKRY C39H70N12O8 834.544 NA PeJP NA NA +MJ095825 Dirithromycin C42H78N2O14 834.545305 NA MeJP NA NA +PJ048339 GPPLLLLL C42H74N8O9 834.5579 NA PeJP NA NA +PJ048340 VLLLLKH C41H74N10O8 834.5692 NA PeJP NA NA +EUR1147 SM(d18:0/22:0) [M+FA-H]- C45H93N2O6P 834.682006 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1147 SM(d18:0/22:0) [M+FA-H]- C45H93N2O6P 834.682006 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1147 SM(d18:0/22:0) [M+FA-H]- C45H93N2O6P 834.682006 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1147 SM(d18:0/22:0) [M+FA-H]- C45H93N2O6P 834.682006 masses lipides attendues Inhousejuil11 NA NA +MJ095826 20(29)-Lupen-3-ol, 3-Acetoxytetracosanoyl C56H98O4 834.746511 NA MeJP NA NA +MJ095827 Polyprenol; Betulaprenol 12 C60H98O 834.761767 NA MeJP NA NA +HMDB05357 TG(16:0/16:0/18:0)[iso3] C53H102O6 834.767639 NA HMDB2010 NA NA +HMDB10427 TG(18:0/14:0/18:0)[iso3] C53H102O6 834.767639 NA HMDB2010 NA NA +HMDB05357 TG(16:0/16:0/18:0) C53H102O6 834.76764 http://www.hmdb.ca/metabolites/HMDB05357 HMDB NA NA +HMDB05357 TG(16:0/16:0/18:0) C53H102O6 834.76764 HMDB05357 PFEM_hmdb_metabocards_official NA NA +MJ095828 Iobitridol C20H28I3N3O9 834.895959 NA MeJP NA NA +MJ095829 Iopentol C20H28I3N3O9 834.895959 NA MeJP NA NA +6991 potential coeliac toxic peptide (extended motif) QQFLGQQQPFPPQQ 834.9015 MH2+ Inhouse_peptide NA peptide +6994 potential coeliac toxic peptide (extended motif) QPQPFPSQQPYLQL 834.9145 MH2+ Inhouse_peptide NA peptide +6997 potential coeliac toxic peptide (extended motif) QPFPSQQPYLQLQP 834.9145 MH2+ Inhouse_peptide NA peptide +C00877 Crotonoyl-CoA C25H40N7O17P3S 835.1414 NA KEGG NA NA +C02331 Vinylacetyl-CoA C25H40N7O17P3S 835.1414 NA KEGG NA NA +C02332 Vitamin A ester C21H29O2R 835.1414 NA KEGG NA NA +C03460 2-Methylprop-2-enoyl-CoA C25H40N7O17P3S 835.1414 NA KEGG NA NA +C16268 Cyclopropanecarboxyl-CoA C25H40N7O17P3S 835.1414 NA KEGG NA NA +HMDB01011 Methacrylyl-CoA C25H40N7O17P3S 835.141418 NA HMDB2010 NA NA +HMDB02009 Crotonoyl-CoA C25H40N7O17P3S 835.141418 NA HMDB2010 NA NA +HMDB01011 Methacrylyl-CoA C25H40N7O17P3S 835.14142 http://www.hmdb.ca/metabolites/HMDB01011 HMDB NA NA +HMDB02009 Crotonoyl-CoA C25H40N7O17P3S 835.14142 http://www.hmdb.ca/metabolites/HMDB02009 HMDB NA NA +HMDB01011 Methacrylyl-CoA C25H40N7O17P3S 835.14142 HMDB01011 PFEM_hmdb_metabocards_official NA NA +HMDB02009 Crotonoyl-CoA C25H40N7O17P3S 835.14142 HMDB02009 PFEM_hmdb_metabocards_official NA NA +MJ095830 2-Methylprop-2-enoyl-CoA C25H40N7O17P3S 835.141423 NA MeJP NA NA +MJ095831 Crotonoyl-CoA C25H40N7O17P3S 835.141423 NA MeJP NA NA +MJ095832 Vinylacetyl-CoA C25H40N7O17P3S 835.141423 NA MeJP NA NA +MetaCyc04160 methylacrylyl-CoA [methacrylyl-CoA;2-methylprop-2-enoyl-CoA;methacrylyl-coenzyme A;] C25H40N7O17P3S1 835.141423 6008-91-9 metacyc NA NA +MetaCyc04161 crotonyl-CoA [crotonyl-S-CoA;crotonyl-coenzyme A;crotonoyl-CoA;2-butenoyl-CoA;trans-but-2-enoyl-CoA;but-2-enoyl-CoA;trans-butyr-2-enoyl-CoA;] C25H40N7O17P3S1 835.141423 102680-35-3 metacyc NA NA +MetaCyc04162 vinylacetyl-CoA [3-Butenoyl-CoA;] C25H40N7O17P3S1 835.141423 NA metacyc NA NA +PJ048341 GCCCCCNM C26H45N9O10S6 835.1614 NA PeJP NA NA +PJ048342 SSCCCCCQ C26H45N9O12S5 835.1791 NA PeJP NA NA +PJ048343 GGSTCCCCC C26H45N9O12S5 835.1792 NA PeJP NA NA +PJ048344 CCCDDDY C30H41N7O15S3 835.1823 NA PeJP NA NA +PJ048345 CCCDMMM C28H49N7O10S6 835.1865 NA PeJP NA NA +PJ048346 GSSSSCCCC C26H45N9O14S4 835.1969 NA PeJP NA NA +PJ048347 ACCCCCCK C27H49N9O9S6 835.1978 NA PeJP NA NA +PJ048348 CCCDDMF C31H45N7O12S4 835.2009 NA PeJP NA NA +PJ048349 CCCCMHH C29H45N11O8S5 835.2057 NA PeJP NA NA +PJ048350 CCDDDEH C29H41N9O16S2 835.2113 NA PeJP NA NA +PJ048351 CCCCNQY C30H45N9O11S4 835.2122 NA PeJP NA NA +PJ048352 SSCCCCCK C27H49N9O11S5 835.2155 NA PeJP NA NA +PJ048353 SCCDDMY C31H45N7O14S3 835.2187 NA PeJP NA NA +PJ048354 SCCMMMM C29H53N7O9S6 835.2229 NA PeJP NA NA +PJ048355 GPCCCCNH C29H45N11O10S4 835.2234 NA PeJP NA NA +PJ048356 GSSCCCNY C30H45N9O13S3 835.2299 NA PeJP NA NA +PJ048357 GCCEMMY C32H49N7O11S4 835.2373 NA PeJP NA NA +PJ048358 CCNNDMH C29H45N11O12S3 835.2412 NA PeJP NA NA +PJ048359 NNDDDDE C29H41N9O20 835.2468 NA PeJP NA NA +PJ048360 SCDDEMH C30H45N9O15S2 835.2477 NA PeJP NA NA +PJ048361 CCCCNKY C31H49N9O10S4 835.2486 NA PeJP NA NA +PJ048362 GCCDEFY C35H45N7O13S2 835.2517 NA PeJP NA NA +PJ048363 CCMMYW C36H49N7O8S4 835.2526 NA PeJP NA NA +PJ048364 PDDDDEM C31H45N7O18S 835.2542 NA PeJP NA NA +PJ048365 SSCDMMY C32H49N7O13S3 835.2551 NA PeJP NA NA +PJ048366 ACCMMMF C33H53N7O8S5 835.2559 NA PeJP NA NA +PJ048367 VCCCMMF C33H53N7O8S5 835.256 NA PeJP NA NA +PJ048368 GCCCQHW C33H45N11O9S3 835.2564 NA PeJP NA NA +PJ048369 GSSCCNEH C29H45N11O14S2 835.2589 NA PeJP NA NA +PJ048370 GNDDDDW C33H41N9O17 835.2621 NA PeJP NA NA +PJ048371 GCCNNYY C34H45N9O12S2 835.2629 NA PeJP NA NA +PJ048372 GGGGGCCYY C34H45N9O12S2 835.263 NA PeJP NA NA +PJ048373 GSPCNDDE C30H45N9O17S 835.2655 NA PeJP NA NA +PJ048374 GDDMMMH C31H49N9O12S3 835.2663 NA PeJP NA NA +PJ048375 CCDFYW C39H45N7O10S2 835.267 NA PeJP NA NA +PJ048376 PCCCHHH C32H45N13O8S3 835.2677 NA PeJP NA NA +PJ048377 GSCDEYY C35H45N7O15S 835.2695 NA PeJP NA NA +PJ048378 GPCCMYY C36H49N7O10S3 835.2703 NA PeJP NA NA +PJ048379 GDEEEEE C31H45N7O20 835.272 NA PeJP NA NA +PJ048380 GTCMMMY C33H53N7O10S4 835.2737 NA PeJP NA NA +PJ048381 SSCCNHW C33H45N11O11S2 835.2742 NA PeJP NA NA +PJ048382 SSSSCNDH C29H45N11O16S 835.2767 NA PeJP NA NA +PJ048383 SCNNMMH C30H49N11O11S3 835.2775 NA PeJP NA NA +PJ048384 GGSCNMMH C30H49N11O11S3 835.2776 NA PeJP NA NA +PJ048385 SPCNDDW C34H45N9O14S 835.2807 NA PeJP NA NA +PJ048386 CEMMHW C35H49N9O9S3 835.2816 NA PeJP NA NA +PJ048387 SNNDEEE C30H45N9O19 835.2832 NA PeJP NA NA +PJ048388 SSDEMMH C31H49N9O14S2 835.2841 NA PeJP NA NA +PJ048389 SCDYYW C39H45N7O12S 835.2847 NA PeJP NA NA +PJ048390 SPCMMMH C32H53N9O9S4 835.2849 NA PeJP NA NA +PJ048391 GCDMHHH C32H45N13O10S2 835.2854 NA PeJP NA NA +PJ048392 CCMFFW C40H49N7O7S3 835.2856 NA PeJP NA NA +PJ048393 DEEEEW C35H45N7O17 835.2872 NA PeJP NA NA +PJ048394 GSCNNNNN C28H45N13O15S 835.2879 NA PeJP NA NA +PJ048395 GGGGGGGGGGGSC C28H45N13O15S 835.288 NA PeJP NA NA +PJ048396 NDMMYY C36H49N7O12S2 835.2881 NA PeJP NA NA +PJ048397 SCCCQHR C29H49N13O10S3 835.2888 NA PeJP NA NA +PJ048398 SPDEEEM C32H49N7O17S 835.2906 NA PeJP NA NA +PJ048399 SSSMMMY C33H53N7O12S3 835.2914 NA PeJP NA NA +PJ048400 PPDDMMM C33H53N7O12S3 835.2915 NA PeJP NA NA +PJ048401 GCNNNEW C33H45N11O13S 835.2919 NA PeJP NA NA +PJ048402 GGGGGGGCEW C33H45N11O13S 835.292 NA PeJP NA NA +PJ048403 GCCCKHW C34H49N11O8S3 835.2928 NA PeJP NA NA +PJ048404 SNDDDDR C29H45N11O18 835.2944 NA PeJP NA NA +PJ048405 GGSDDDDR C29H45N11O18 835.2945 NA PeJP NA NA +PJ048406 PCCNDER C30H49N11O13S2 835.2953 NA PeJP NA NA +PJ048407 CDEHFW C38H45N9O11S 835.296 NA PeJP NA NA +PJ048408 GSNDEEW C34H45N9O16 835.2985 NA PeJP NA NA +PJ048409 GPCNEMW C35H49N9O11S2 835.2993 NA PeJP NA NA +PJ048410 GNQEEEM C31H49N9O16S 835.3018 NA PeJP NA NA +PJ048411 NDDFYY C39H45N7O14 835.3025 NA PeJP NA NA +PJ048412 GTEMMMH C32H53N9O11S3 835.3027 NA PeJP NA NA +PJ048413 SSCEHHH C32H45N13O12S 835.3032 NA PeJP NA NA +PJ048414 ACMYYW C40H49N7O9S2 835.3033 NA PeJP NA NA +PJ048415 GPCCFFY C40H49N7O9S2 835.3034 NA PeJP NA NA +PJ048416 GSSEMYY C36H49N7O14S 835.3058 NA PeJP NA NA +PJ048417 PPDDDMF C36H49N7O14S 835.3059 NA PeJP NA NA +PJ048418 GSSSCCHR C29H49N13O12S2 835.3065 NA PeJP NA NA +PJ048419 NMMMFY C37H53N7O9S3 835.3067 NA PeJP NA NA +PJ048420 CNNNWW C37H45N11O10S 835.3072 NA PeJP NA NA +PJ048421 ATEEEEE C32H49N7O19 835.3084 NA PeJP NA NA +PJ048422 APEEEMM C33H53N7O14S2 835.3092 NA PeJP NA NA +PJ048423 SSNNNDW C33H45N11O15 835.3097 NA PeJP NA NA +PJ048424 GPCCDRW C34H49N11O10S2 835.3106 NA PeJP NA NA +PJ048425 GNDDEMR C30H49N11O15S 835.3131 NA PeJP NA NA +PJ048426 SNDEWW C38H45N9O13 835.3137 NA PeJP NA NA +PJ048427 GPPTCCCR C31H53N11O10S3 835.3139 NA PeJP NA NA +PJ048428 PCNMWW C39H49N9O8S2 835.3146 NA PeJP NA NA +PJ048429 NQEEMW C35H49N9O13S 835.3171 NA PeJP NA NA +PJ048430 TMMMHW C36H53N9O8S3 835.318 NA PeJP NA NA +PJ048431 SSQQEEE C31H49N9O18 835.3196 NA PeJP NA NA +PJ048432 STTEMMH C32H53N9O13S2 835.3204 NA PeJP NA NA +PJ048433 TTTDMMH C32H53N9O13S2 835.3205 NA PeJP NA NA +PJ048434 GNNEEHH C32H45N13O14 835.3209 NA PeJP NA NA +PJ048435 SSMYYW C40H49N7O11S 835.3211 NA PeJP NA NA +PJ048436 GVMMMMH C33H57N9O8S4 835.3213 NA PeJP NA NA +PJ048437 GCCNHFR C33H49N13O9S2 835.3218 NA PeJP NA NA +PJ048438 SSSTEYY C36H49N7O16 835.3236 NA PeJP NA NA +PJ048439 GCDDDRR C29H49N13O14S 835.3243 NA PeJP NA NA +PJ048440 TQMMYY C37H53N7O11S2 835.3245 NA PeJP NA NA +PJ048441 SCCCKHR C30H53N13O9S3 835.3252 NA PeJP NA NA +PJ048442 GLEEEEM C33H53N7O16S 835.327 NA PeJP NA NA +PJ048443 PPTEMMM C34H57N7O11S3 835.3278 NA PeJP NA NA +PJ048444 NDDMRW C34H49N11O12S 835.3283 NA PeJP NA NA +PJ048445 GGGGGGGAPCF C34H49N11O12S 835.3284 NA PeJP NA NA +PJ048446 GSDWWW C42H45N9O10 835.329 NA PeJP NA NA +PJ048447 SSNDEER C30H49N11O17 835.3308 NA PeJP NA NA +PJ048448 SPCNEMR C31H53N11O12S2 835.3317 NA PeJP NA NA +PJ048449 SNNNNHH C31H45N15O13 835.3322 NA PeJP NA NA +PJ048450 GQEMWW C39H49N9O10S 835.3323 NA PeJP NA NA +PJ048451 GGAEMWW C39H49N9O10S 835.3324 NA PeJP NA NA +PJ048452 MMMMHR C32H57N11O7S4 835.3326 NA PeJP NA NA +PJ048453 GSTQEEW C35H49N9O15 835.3348 NA PeJP NA NA +PJ048454 GGGTTEEW C35H49N9O15 835.3349 NA PeJP NA NA +PJ048455 GSPQMMW C36H53N9O10S2 835.3357 NA PeJP NA NA +PJ048456 NNEHHW C36H45N13O11 835.3362 NA PeJP NA NA +PJ048457 ACFFYW C44H49N7O8S 835.3364 NA PeJP NA NA +PJ048458 GNKEEEM C32H53N9O15S 835.3382 NA PeJP NA NA +PJ048459 PEEEFW C40H49N7O13 835.3389 NA PeJP NA NA +PJ048460 SSLMMMH C33H57N9O10S3 835.3391 NA PeJP NA NA +PJ048461 SSTMHHH C33H49N13O11S 835.3395 NA PeJP NA NA +PJ048462 GSCNNRW C33H49N13O11S 835.3396 NA PeJP NA NA +PJ048463 NMMFFF C41H53N7O8S2 835.3397 NA PeJP NA NA +PJ048464 GSSSNNDR C29H49N13O16 835.3421 NA PeJP NA NA +PJ048465 LEEEMW C37H53N7O13S 835.3422 NA PeJP NA NA +PJ048466 SPCCDRR C30H53N13O11S2 835.3429 NA PeJP NA NA +PJ048467 GGGGGGGMMR C30H53N13O11S2 835.343 NA PeJP NA NA +PJ048468 GCERWW C38H49N11O9S 835.3436 NA PeJP NA NA +PJ048469 STLEEEE C33H53N7O18 835.3447 NA PeJP NA NA +PJ048470 SPLEEMM C34H57N7O13S2 835.3456 NA PeJP NA NA +PJ048471 GSSDERW C34H49N11O14 835.3461 NA PeJP NA NA +PJ048472 PPVMMMM C35H61N7O8S4 835.3465 NA PeJP NA NA +PJ048473 APTCCRW C35H53N11O9S2 835.3469 NA PeJP NA NA +PJ048474 GSPCMRW C35H53N11O9S2 835.347 NA PeJP NA NA +PJ048475 GPDHHHH C35H45N15O10 835.3474 NA PeJP NA NA +PJ048476 QMWWW C43H49N9O7S 835.3476 NA PeJP NA NA +PJ048477 GSQEEMR C31H53N11O14S 835.3494 NA PeJP NA NA +PJ048478 GGGTEEMR C31H53N11O14S 835.3495 NA PeJP NA NA +MJ095833 Pacidamycin 2 C39H49N9O12 835.350068 NA MeJP NA NA +PJ048479 STQEWW C39H49N9O12 835.3501 NA PeJP NA NA +PJ048480 GPNMMMR C32H57N11O9S3 835.3503 NA PeJP NA NA +PJ048481 CLMHFW C40H53N9O7S2 835.351 NA PeJP NA NA +PJ048482 GNHHWW C40H45N13O8 835.3514 NA PeJP NA NA +PJ048483 GGGHHWW C40H45N13O8 835.3515 NA PeJP NA NA +MJ095834 Penarolide A1; Tri-O-sulfate C35H65NO15S3 835.351632 NA MeJP NA NA +MJ095835 Penarolide A2; Tri-O-sulfate C35H65NO15S3 835.351632 NA MeJP NA NA +PJ048484 NKEEMW C36H53N9O12S 835.3535 NA PeJP NA NA +PJ048485 AAYYYW C44H49N7O10 835.3541 NA PeJP NA NA +PJ048486 GCCNQRR C29H53N15O10S2 835.3542 NA PeJP NA NA +PJ048487 QMHHHF C37H49N13O8S 835.3548 NA PeJP NA NA +PJ048488 SSQKEEE C32H53N9O17 835.356 NA PeJP NA NA +PJ048489 SPNKEMM C33H57N9O12S2 835.3568 NA PeJP NA NA +PJ048490 GGSPKEMM C33H57N9O12S2 835.3569 NA PeJP NA NA +MJ095836 Coumamidine ?1 C33H49N13O13 835.357278 NA MeJP NA NA +MJ095837 Coumamidine ?2 C33H49N13O13 835.357278 NA MeJP NA NA +PJ048491 GNNNDFR C33H49N13O13 835.3573 NA PeJP NA NA +PJ048492 PCKYYY C41H53N7O10S 835.3575 NA PeJP NA NA +PJ048493 CRWWW C42H49N11O6S 835.3588 NA PeJP NA NA +PJ048494 STTTTYY C37H53N7O15 835.36 NA PeJP NA NA +PJ048495 GSDDMRR C30H53N13O13S 835.3607 NA PeJP NA NA +PJ048496 TKMMYY C38H57N7O10S2 835.3609 NA PeJP NA NA +PJ048497 SSDRWW C38H49N11O11 835.3613 NA PeJP NA NA +PJ048498 GGGGGAQFW C38H49N11O11 835.3614 NA PeJP NA NA +PJ048499 APCCMRR C31H57N13O8S3 835.3616 NA PeJP NA NA +PJ048500 SVLEEEM C34H57N7O15S 835.3634 NA PeJP NA NA +PJ048501 PVVEMMM C35H61N7O10S3 835.3642 NA PeJP NA NA +PJ048502 SQEMRW C35H53N11O11S 835.3647 NA PeJP NA NA +PJ048503 ASTWWW C43H49N9O9 835.3653 NA PeJP NA NA +PJ048504 GTTWWW C43H49N9O9 835.3654 NA PeJP NA NA +PJ048505 CHHHFR C36H49N15O7S 835.3661 NA PeJP NA NA +PJ048506 SSTQEER C31H53N11O16 835.3672 NA PeJP NA NA +PJ048507 AAQEMMR C32H57N11O11S2 835.3681 NA PeJP NA NA +PJ048508 GSNEHHR C32H49N15O12 835.3685 NA PeJP NA NA +PJ048509 GGGSEHHR C32H49N15O12 835.3686 NA PeJP NA NA +PJ048510 GKEMWW C40H53N9O9S 835.3687 NA PeJP NA NA +PJ048511 GSTKEEW C36H53N9O14 835.3712 NA PeJP NA NA +PJ048512 GGGGALEEF C36H53N9O14 835.3713 NA PeJP NA NA +PJ048513 SSCNNRR C29H53N15O12S 835.3719 NA PeJP NA NA +PJ048514 GSPKMMW C37H57N9O9S2 835.3721 NA PeJP NA NA +PJ048515 NDKHHW C37H49N13O10 835.3726 NA PeJP NA NA +PJ048516 GDKKEEM C33H57N9O14S 835.3746 NA PeJP NA NA +PJ048517 AKEYYY C41H53N7O12 835.3752 NA PeJP NA NA +PJ048518 PLEEYW C41H53N7O12 835.3753 NA PeJP NA NA +PJ048519 APQKMMM C34H61N9O9S3 835.3755 NA PeJP NA NA +PJ048520 SCERRW C34H53N13O10S 835.3759 NA PeJP NA NA +PJ048521 GGGLQMHH C34H53N13O10S 835.376 NA PeJP NA NA +PJ048522 PPNHWW C42H49N11O8 835.3766 NA PeJP NA NA +PJ048523 SSSDERR C30H53N13O15 835.3784 NA PeJP NA NA +PJ048524 GGGGGSSTTR C30H53N13O15 835.3785 NA PeJP NA NA +PJ048525 SPPLEMY C38H57N7O12S 835.3786 NA PeJP NA NA +PJ048526 NEMMRR C31H57N13O10S2 835.3793 NA PeJP NA NA +PJ048527 GTMRWW C39H53N11O8S 835.38 NA PeJP NA NA +PJ048528 ALLEEMM C35H61N7O12S2 835.382 NA PeJP NA NA +PJ048529 SSSNQKW C35H53N11O13 835.3824 NA PeJP NA NA +PJ048530 GSTTERW C35H53N11O13 835.3825 NA PeJP NA NA +PJ048531 VNMMRW C36H57N11O8S2 835.3833 NA PeJP NA NA +PJ048532 SNHHRW C36H49N15O9 835.3838 NA PeJP NA NA +PJ048533 KMWWW C44H53N9O6S 835.384 NA PeJP NA NA +PJ048534 GSKEEMR C32H57N11O13S 835.3858 NA PeJP NA NA +PJ048535 GGGGSDKKM C32H57N11O13S 835.3859 NA PeJP NA NA +PJ048536 STKEWW C40H53N9O11 835.3865 NA PeJP NA NA +PJ048537 APCKMMR C33H61N11O8S3 835.3867 NA PeJP NA NA +PJ048538 QQMHHR C33H53N15O9S 835.3872 NA PeJP NA NA +PJ048539 SSPTKMW C37H57N9O11S 835.3898 NA PeJP NA NA +PJ048540 DKKEMW C37H57N9O11S 835.3899 NA PeJP NA NA +PJ048541 VNFFFY C45H53N7O9 835.3905 NA PeJP NA NA +PJ048542 CDMRRR C30H57N15O9S2 835.3906 NA PeJP NA NA +PJ048543 KMHHHF C38H53N13O7S 835.3912 NA PeJP NA NA +PJ048544 SSSPTTKE C33H57N9O16 835.3923 NA PeJP NA NA +PJ048545 SSKKEEE C33H57N9O16 835.3924 NA PeJP NA NA +PJ048546 GLQKEMM C34H61N9O11S2 835.3932 NA PeJP NA NA +PJ048547 NQQQRY C34H53N13O12 835.3937 NA PeJP NA NA +PJ048548 CLKFYY C42H57N7O9S 835.3939 NA PeJP NA NA +PJ048549 GMMRRW C35H57N13O7S2 835.3946 NA PeJP NA NA +PJ048550 SPVLEEY C38H57N7O14 835.3964 NA PeJP NA NA +PJ048551 GSTEMRR C31H57N13O12S 835.3971 NA PeJP NA NA +PJ048552 PPTLMMF C39H61N7O9S2 835.3972 NA PeJP NA NA +PJ048553 PPVVMMY C39H61N7O9S2 835.3973 NA PeJP NA NA +PJ048554 STTRWW C39H53N11O10 835.3977 NA PeJP NA NA +PJ048555 CQHHRR C32H53N17O8S 835.3984 NA PeJP NA NA +PJ048556 TTLLEEM C35H61N7O14S 835.3998 NA PeJP NA NA +PJ048557 PTLLMMM C36H65N7O9S3 835.4006 NA PeJP NA NA +PJ048558 SKEMRW C36H57N11O10S 835.4011 NA PeJP NA NA +PJ048559 GPKYWW C44H53N9O8 835.4017 NA PeJP NA NA +PJ048560 GGALFWW C44H53N9O8 835.4018 NA PeJP NA NA +PJ048561 SSTKEER C32H57N11O15 835.4036 NA PeJP NA NA +PJ048562 AAKEMMR C33H61N11O10S2 835.4045 NA PeJP NA NA +PJ048563 NNNRRY C33H53N15O11 835.4049 NA PeJP NA NA +PJ048564 GGGGGGRRY C33H53N15O11 835.405 NA PeJP NA NA +PJ048565 SVKMWW C41H57N9O8S 835.4051 NA PeJP NA NA +PJ048566 SSSLKEW C37H57N9O13 835.4076 NA PeJP NA NA +PJ048567 LQKMMW C38H61N9O8S2 835.4085 NA PeJP NA NA +PJ048568 GDFRRW C38H53N13O9 835.409 NA PeJP NA NA +PJ048569 ATKKEEM C34H61N9O13S 835.411 NA PeJP NA NA +PJ048570 LLEEFW C42H57N7O11 835.4116 NA PeJP NA NA +PJ048571 APKKMMM C35H65N9O8S3 835.4119 NA PeJP NA NA +PJ048572 STMRRW C35H57N13O9S 835.4123 NA PeJP NA NA +PJ048573 AAFRWW C43H53N11O7 835.413 NA PeJP NA NA +PJ048574 SSTTERR C31H57N13O14 835.4148 NA PeJP NA NA +PJ048575 APLLEMY C39H61N7O11S 835.415 NA PeJP NA NA +PJ048576 DKMMRR C32H61N13O9S2 835.4157 NA PeJP NA NA +PJ048577 GSSHHRR C32H53N17O10 835.4162 NA PeJP NA NA +PJ048578 PCKFRW C40H57N11O7S 835.4164 NA PeJP NA NA +PJ048579 SLLLEMM C36H65N7O11S2 835.4184 NA PeJP NA NA +PJ048580 SSSTLRW C36H57N11O12 835.4188 NA PeJP NA NA +PJ048581 GGSSSKKW C36H57N11O12 835.4189 NA PeJP NA NA +PJ048582 CLKMRW C37H61N11O7S2 835.4197 NA PeJP NA NA +PJ048583 GVLHHHH C37H53N15O8 835.4202 NA PeJP NA NA +PJ048584 ATTKEMR C33H61N11O12S 835.4222 NA PeJP NA NA +PJ048585 PDKKYW C41H57N9O10 835.4229 NA PeJP NA NA +PJ048586 APPCHRR C34H57N15O8S 835.4236 NA PeJP NA NA +PJ048587 GTTLKMW C38H61N9O10S 835.4262 NA PeJP NA NA +PJ048588 GGAPLKMY C38H61N9O10S 835.4263 NA PeJP NA NA +MJ095838 Cycloamanide B C46H57N7O8 835.426861 NA MeJP NA NA +PJ048589 SMMRRR C31H61N15O8S2 835.4269 NA PeJP NA NA +PJ048590 TTTKKEE C34H61N9O15 835.4287 NA PeJP NA NA +PJ048591 GLKKEMM C35H65N9O10S2 835.4296 NA PeJP NA NA +PJ048592 VNERRY C35H57N13O11 835.4301 NA PeJP NA NA +PJ048593 PPVVMFF C43H61N7O8S 835.4303 NA PeJP NA NA +PJ048594 LHHHHR C36H53N17O7 835.4314 NA PeJP NA NA +PJ048595 GLLLEEY C39H61N7O13 835.4328 NA PeJP NA NA +PJ048596 ATTTMRR C32H61N13O11S 835.4334 NA PeJP NA NA +PJ048597 SSSLMRR C32H61N13O11S 835.4335 NA PeJP NA NA +PJ048598 PVVLMMF C40H65N7O8S2 835.4336 NA PeJP NA NA +PJ048599 SPKRYW C40H57N11O9 835.4341 NA PeJP NA NA +PJ048600 CKHHRR C33H57N17O7S 835.4348 NA PeJP NA NA +PJ048601 VVLLMMM C37H69N7O8S3 835.437 NA PeJP NA NA +PJ048602 GSCKKKW C37H61N11O9S 835.4375 NA PeJP NA NA +PJ048603 GLKFWW C45H57N9O7 835.4381 NA PeJP NA NA +PJ048604 TTTTKER C33H61N11O14 835.44 NA PeJP NA NA +PJ048605 ASLKMMR C34H65N11O9S2 835.4408 NA PeJP NA NA +PJ048606 GTLKMMR C34H65N11O9S2 835.4409 NA PeJP NA NA +PJ048607 GERRRY C34H57N15O10 835.4413 NA PeJP NA NA +PJ048608 PKKMFW C42H61N9O7S 835.4415 NA PeJP NA NA +PJ048609 STTTLKW C38H61N9O12 835.444 NA PeJP NA NA +PJ048610 LKKMMW C39H65N9O7S2 835.4449 NA PeJP NA NA +PJ048611 GVRRYW C39H57N13O8 835.4453 NA PeJP NA NA +PJ048612 GAPLHRW C39H57N13O8 835.4454 NA PeJP NA NA +PJ048613 STLKKEM C35H65N9O12S 835.4474 NA PeJP NA NA +PJ048614 LLLEYW C43H61N7O10 835.448 NA PeJP NA NA +PJ048615 VQMFRR C36H61N13O8S 835.4487 NA PeJP NA NA +PJ048616 TTTTTRR C32H61N13O13 835.4512 NA PeJP NA NA +PJ048617 SPLLLMY C40H65N7O10S 835.4514 NA PeJP NA NA +PJ048618 ACCKKKR C33H65N13O8S2 835.4521 NA PeJP NA NA +PJ048619 PDHRRR C33H57N17O9 835.4526 NA PeJP NA NA +PJ048620 LQKERY C37H61N11O11 835.4552 NA PeJP NA NA +PJ048621 GGGGGLKKY C37H61N11O11 835.4553 NA PeJP NA NA +PJ048622 RRRYW C38H57N15O7 835.4566 NA PeJP NA NA +PJ048623 STTLKMR C34H65N11O11S 835.4586 NA PeJP NA NA +PJ048624 VLQKYW C42H61N9O9 835.4593 NA PeJP NA NA +PJ048625 KKMHHR C35H61N15O7S 835.4599 NA PeJP NA NA +PJ048626 AMFRRR C35H61N15O7S 835.46 NA PeJP NA NA +PJ048627 GPLKKMY C39H65N9O9S 835.4626 NA PeJP NA NA +PJ048628 SSSTTLLK C35H65N9O14 835.4651 NA PeJP NA NA +PJ048629 SVLKKMM C36H69N9O9S2 835.466 NA PeJP NA NA +PJ048630 VDKRRY C36H61N13O10 835.4665 NA PeJP NA NA +PJ048631 SVLLLEY C40H65N7O12 835.4691 NA PeJP NA NA +PJ048632 SSCKKKR C33H65N13O10S 835.4698 NA PeJP NA NA +PJ048633 ALKRYW C41H61N11O8 835.4705 NA PeJP NA NA +PJ048634 AALKMFR C38H65N11O8S 835.4739 NA PeJP NA NA +PJ048635 GSSTTKKK C34H65N11O13 835.4764 NA PeJP NA NA +PJ048636 ACKKKKM C35H69N11O8S2 835.4772 NA PeJP NA NA +PJ048637 SVRRRY C35H61N15O9 835.4777 NA PeJP NA NA +PJ048638 GVLKKEY C39H65N9O11 835.4804 NA PeJP NA NA +PJ048639 PLKHRW C40H61N13O7 835.4817 NA PeJP NA NA +PJ048640 APLLLFY C44H65N7O9 835.4844 NA PeJP NA NA +PJ048641 VKMFRR C37H65N13O7S 835.4851 NA PeJP NA NA +PJ048642 ALLLLMY C41H69N7O9S 835.4878 NA PeJP NA NA +PJ048643 LKKERY C38H65N11O10 835.4916 NA PeJP NA NA +PJ048644 SSKKKKM C35H69N11O10S 835.495 NA PeJP NA NA +PJ048645 VLKKYW C43H65N9O8 835.4956 NA PeJP NA NA +PJ048646 PPPVLKW C43H65N9O8 835.4957 NA PeJP NA NA +PJ048647 GLLKKMF C40H69N9O8S 835.499 NA PeJP NA NA +PJ048648 TLKRRY C37H65N13O9 835.5029 NA PeJP NA NA +PJ048649 TTLLLLY C41H69N7O11 835.5055 NA PeJP NA NA +MJ095839 Scytophycin A; 6-Hydroxy, 27-ketone C45H73NO13 835.508191 NA MeJP NA NA +PJ048650 AALLHRR C36H65N15O8 835.5141 NA PeJP NA NA +HMDB09705 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C49H74NO8P 835.515198 NA HMDB2010 NA NA +HMDB05354 GPEtn(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C49H74NO8P 835.5152 http://www.hmdb.ca/metabolites/HMDB05354 HMDB NA NA +HMDB05354 GPEtn(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C49H74NO8P 835.5152 HMDB05354 PFEM_hmdb_metabocards_official NA NA +PJ048651 ATLLKKY C40H69N9O10 835.5168 NA PeJP NA NA +PJ048652 ALLLLFF C45H69N7O8 835.5208 NA PeJP NA NA +PJ048653 VLHRRR C35H65N17O7 835.5253 NA PeJP NA NA +PJ048654 AAKKKKY C39H69N11O9 835.528 NA PeJP NA NA +HMDB10167 PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H78NO10P 835.536316 NA HMDB2010 NA NA +HMDB12426 PS(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) C46H78NO10P 835.536316 NA HMDB2010 NA NA +HMDB12444 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) C46H78NO10P 835.536316 NA HMDB2010 NA NA +PJ048655 PPVVLRR C38H69N13O8 835.5392 NA PeJP NA NA +PJ048656 GPPVLLLK C41H73N9O9 835.5532 NA PeJP NA NA +PJ048657 PPLLLKR C40H73N11O8 835.5644 NA PeJP NA NA +HMDB12315 3-O-Sulfogalactosylceramide (d18:1/20:0) C44H85NO11S 835.584351 NA HMDB2010 NA NA +EUR985 PC 38:2 [M+Na]+ C46H88NO8P 835.606703 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR985 PC 38:2 [M+Na]+ C46H88NO8P 835.606703 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR985 PC 38:2 [M+Na]+ C46H88NO8P 835.606703 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR985 PC 38:2 [M+Na]+ C46H88NO8P 835.606703 masses lipides attendues Inhousejuil11 NA NA +HMDB08055 PC(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08056 PC(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08087 PC(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08120 PC(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08185 PC(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08218 PC(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08250 PC(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08281 PC(20:0/20:5(5Z,8Z,11Z,14Z,17Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08312 PC(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08313 PC(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08343 PC(20:2(11Z,14Z)/20:3(5Z,8Z,11Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08344 PC(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08375 PC(20:3(5Z,8Z,11Z)/20:2(11Z,14Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08407 PC(20:3(8Z,11Z,14Z)/20:2(11Z,14Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08439 PC(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08472 PC(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08504 PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:0) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08568 PC(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08599 PC(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08600 PC(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08629 PC(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08630 PC(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08661 PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:0) C48H86NO8P 835.609131 NA HMDB2010 NA NA +HMDB08694 PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:0) C48H86NO8P 835.609131 NA HMDB2010 NA NA +MJ095840 Erythrosine C20H8I4O5 835.655047 NA MeJP NA NA +MJ095841 1,2-Diphytanylglycero-3-phosphoserine; 3'-Hydroxy C46H94NO9P 835.66662 NA MeJP NA NA +EUR1120 SM(d18:1/24:1) [M+Na]+ C47H94N2O6P 835.666897 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1120 SM(d18:1/24:1) [M+Na]+ C47H94N2O6P 835.666897 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1120 SM(d18:1/24:1) [M+Na]+ C47H94N2O6P 835.666897 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1120 SM(d18:1/24:1) [M+Na]+ C47H94N2O6P 835.666897 masses lipides attendues Inhousejuil11 NA NA +3916 citropin 1,1 from Australian frog GLFDVIKKVASVIGGLG 835.9879 MH2+ Inhouse_peptide NA peptide +3924 aurein 2,1 GLLDIVKKVVGAFGSLG 835.9879 MH2+ Inhouse_peptide NA peptide +3926 aurein 2,2 GLFDIVKKVVGALGSLG 835.9879 MH2+ Inhouse_peptide NA peptide +3928 aurein 2,3, GLFDIVKKVVGAIGSLG 835.9879 MH2+ Inhouse_peptide NA peptide +4016 NA GLFDVIKKVASVIGGLG 835.9879 MH2+ Inhouse_peptide NA peptide +5456 aurein 2,1 GLLDIVKKVVGAFGSLG 835.9879 MH2+ Inhouse_peptide NA peptide +5458 aurein 2,2 GLFDIVKKVVGALGSLG 835.9879 MH2+ Inhouse_peptide NA peptide +5459 aurein 2,3 GLFDIVKKVVGAIGSLG 835.9879 MH2+ Inhouse_peptide NA peptide +3911 citropin 1,1 from Australian frog GLFDVIKKVASVIGGLG 835.98795 MH2+ Inhouse_peptide NA peptide +MJ095842 Leptosin G C32H32N6O7S7 836.037742 NA MeJP NA NA +MJ095843 P1,P4-Bis(5'-adenosyl) tetraphosphate C20H28N10O19P4 836.048264 NA MeJP NA NA +MetaCyc04163 P(1),P(4)-bis(5'-adenosyl)tetraphosphate [] C20H28N10O19P4 836.048265 NA metacyc NA NA +HMDB01211 Diadenosine tetraphosphate C20H28N10O19P4 836.048279 NA HMDB2010 NA NA +HMDB01211 Diadenosine tetraphosphate C20H28N10O19P4 836.04828 http://www.hmdb.ca/metabolites/HMDB01211 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01211 Diadenosine tetraphosphate C20H28N10O19P4 836.04828 http://www.hmdb.ca/metabolites/HMDB01211 HMDB NA NA +HMDB01211 Diadenosine tetraphosphate C20H28N10O19P4 836.04828 http://www.hmdb.ca/metabolites/HMDB01211 PFEM_hmdb_metabocards_blood NA blood +HMDB01211 Diadenosine tetraphosphate C20H28N10O19P4 836.04828 HMDB01211 PFEM_hmdb_metabocards_official NA NA +C01260 P1,P4-Bis(5'-adenosyl) tetraphosphate C20H28N10O19P4 836.0483 NA KEGG NA NA +PJ048658 PCCCCCCC C26H44N8O9S7 836.1277 NA PeJP NA NA +PJ048659 GCCCCCDM C26H44N8O11S6 836.1454 NA PeJP NA NA +PJ048660 SSCCCCCE C26H44N8O13S5 836.1632 NA PeJP NA NA +PJ048661 GSCCCCMM C27H48N8O10S6 836.1818 NA PeJP NA NA +PJ048662 CCCCNEY C30H44N8O12S4 836.1962 NA PeJP NA NA +PJ048663 SSTCCCCM C27H48N8O12S5 836.1996 NA PeJP NA NA +PJ048664 GPCCCCDH C29H44N10O11S4 836.2074 NA PeJP NA NA +PJ048665 GCCCCYW C34H44N8O9S4 836.2114 NA PeJP NA NA +PJ048666 GSSCCCDY C30H44N8O14S3 836.2139 NA PeJP NA NA +PJ048667 CCCCQMF C31H48N8O9S5 836.2148 NA PeJP NA NA +PJ048668 CCNDDMH C29H44N10O13S3 836.2252 NA PeJP NA NA +PJ048669 CCCCCFR C30H48N10O8S5 836.226 NA PeJP NA NA +PJ048670 NDDDDDE C29H40N8O21 836.2308 NA PeJP NA NA +PJ048671 GADDDDDD C29H40N8O21 836.2309 NA PeJP NA NA +PJ048672 SCCCQMY C31H48N8O11S4 836.2326 NA PeJP NA NA +PJ048673 GSCCCNNH C28H44N12O12S3 836.2364 NA PeJP NA NA +PJ048674 GCCCEHW C33H44N10O10S3 836.2404 NA PeJP NA NA +PJ048675 GSSCCDEH C29H44N10O15S2 836.2429 NA PeJP NA NA +PJ048676 GGGGGPCCDD C29H44N10O15S2 836.243 NA PeJP NA NA +PJ048677 SCCCCRY C30H48N10O10S4 836.2438 NA PeJP NA NA +PJ048678 GDDDDDW C33H40N8O18 836.2461 NA PeJP NA NA +PJ048679 GCCNDYY C34H44N8O13S2 836.247 NA PeJP NA NA +PJ048680 GSPCDDDE C30H44N8O18S 836.2495 NA PeJP NA NA +PJ048681 GSSSCCMY C31H48N8O13S3 836.2503 NA PeJP NA NA +PJ048682 CCCCKMF C32H52N8O8S5 836.2512 NA PeJP NA NA +PJ048683 CCCHWW C37H44N10O7S3 836.2557 NA PeJP NA NA +PJ048684 SSCCDHW C33H44N10O12S2 836.2582 NA PeJP NA NA +PJ048685 SSSSCDDH C29H44N10O17S 836.2607 NA PeJP NA NA +PJ048686 SCNDMMH C30H48N10O12S3 836.2616 NA PeJP NA NA +PJ048687 SPCDDDW C34H44N8O15S 836.2647 NA PeJP NA NA +PJ048688 PPCCCEW C35H48N8O10S3 836.2656 NA PeJP NA NA +PJ048689 SNDDEEE C30H44N8O20 836.2672 NA PeJP NA NA +PJ048690 SSSSTCCY C31H48N8O15S2 836.2681 NA PeJP NA NA +PJ048691 SCCCKMY C32H52N8O10S4 836.2689 NA PeJP NA NA +PJ048692 SPPPCCCM C32H52N8O10S4 836.269 NA PeJP NA NA +PJ048693 GSCNNNND C28H44N12O16S 836.2719 NA PeJP NA NA +PJ048694 GGGGGGGSCND C28H44N12O16S 836.272 NA PeJP NA NA +PJ048695 DDMMYY C36H48N6O13S2 836.2721 NA PeJP NA NA +PJ048696 SCCCEHR C29H48N12O11S3 836.2728 NA PeJP NA NA +C01051 Uroporphyrinogen III C40H44N4O16 836.2752 NA KEGG NA NA +C05766 Uroporphyrinogen I C40H44N4O16 836.2752 NA KEGG NA NA +HMDB01086 Uroporphyrinogen III C40H44N4O16 836.275208 NA HMDB2010 NA NA +HMDB02211 Uroporphyrinogen I C40H44N4O16 836.275208 NA HMDB2010 NA NA +HMDB01086 Uroporphyrinogen III C40H44N4O16 836.27521 http://www.hmdb.ca/metabolites/HMDB01086 HMDB NA NA +HMDB02211 Uroporphyrinogen I C40H44N4O16 836.27521 http://www.hmdb.ca/metabolites/HMDB02211 HMDB NA NA +HMDB01086 Uroporphyrinogen III C40H44N4O16 836.27521 HMDB01086 PFEM_hmdb_metabocards_official NA NA +HMDB02211 Uroporphyrinogen I C40H44N4O16 836.27521 HMDB02211 PFEM_hmdb_metabocards_official NA NA +MJ095844 Uroporphyrinogen I C40H44N4O16 836.275231 NA MeJP NA NA +MetaCyc04164 uroporphyrinogen-III [] C40H44N4O16 836.275231 1976-85-8 metacyc NA NA +MetaCyc04165 uroporyrinogen-III [uroporyrinogen III;uroporpyrinogen III;] C40H44N4O16 836.275231 NA metacyc NA NA +MetaCyc04166 uroporyrinogen-I [uroporyrinogen I;uroporpyrinogen I;] C40H44N4O16 836.275231 NA metacyc NA NA +PJ048697 ACNNDDW C33H44N10O14S 836.2759 NA PeJP NA NA +PJ048698 GCNNDEW C33H44N10O14S 836.276 NA PeJP NA NA +PJ048699 MMMMMY C34H56N6O8S5 836.2763 NA PeJP NA NA +PJ048700 GTCCMHW C34H48N10O9S3 836.2768 NA PeJP NA NA +PJ048701 SDDDDDR C29H44N10O19 836.2785 NA PeJP NA NA +MJ095845 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,2-Bis(3-pyridinecarbonyl), 8,9-dibenzoyl, 6,14-di-Ac C45H44N2O14 836.279254 NA MeJP NA NA +MJ095846 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,8-Bis(3-pyridinecarbonyl), 6,9-dibenzoyl, 2,14-di-Ac C45H44N2O14 836.279254 NA MeJP NA NA +MJ095847 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 2,8-Bis(3-pyridinecarbonyl), 6,9-dibenzoyl, 1,14-di-Ac C45H44N2O14 836.279254 NA MeJP NA NA +PJ048702 PCCDDER C30H48N10O14S2 836.2793 NA PeJP NA NA +PJ048703 GCQMMMH C31H52N10O9S4 836.2802 NA PeJP NA NA +PJ048704 SCCNHHH C31H44N14O10S2 836.2807 NA PeJP NA NA +PJ048705 GSDDEEW C34H44N8O17 836.2825 NA PeJP NA NA +PJ048706 GPCDEMW C35H48N8O12S2 836.2833 NA PeJP NA NA +PJ048707 ANDEEEM C31H48N8O17S 836.2858 NA PeJP NA NA +PJ048708 GNEEEEM C31H48N8O17S 836.2859 NA PeJP NA NA +PJ048709 DDDFYY C39H44N6O15 836.2865 NA PeJP NA NA +PJ048710 GSPPCDMM C32H52N8O12S3 836.2867 NA PeJP NA NA +PJ048711 PCNDDHH C32H44N12O13S 836.2872 NA PeJP NA NA +PJ048712 CNNNNQM C29H48N12O13S2 836.2905 NA PeJP NA NA +PJ048713 GGCNNNQM C29H48N12O13S2 836.2906 NA PeJP NA NA +PJ048714 DMMMFY C37H52N6O10S3 836.2907 NA PeJP NA NA +PJ048715 CNNDWW C37H44N10O11S 836.2912 NA PeJP NA NA +PJ048716 GCCMMHR C30H52N12O8S4 836.2914 NA PeJP NA NA +PJ048717 SSNNDDW C33H44N10O16 836.2937 NA PeJP NA NA +PJ048718 SSSCMHW C34H48N10O11S2 836.2946 NA PeJP NA NA +PJ048719 GDDDEMR C30H48N10O16S 836.2971 NA PeJP NA NA +PJ048720 SDDEWW C38H44N8O14 836.2977 NA PeJP NA NA +PJ048721 SSNMMMH C31H52N10O11S3 836.2979 NA PeJP NA NA +PJ048722 GGSSMMMH C31H52N10O11S3 836.298 NA PeJP NA NA +PJ048723 PCDMWW C39H48N8O9S2 836.2986 NA PeJP NA NA +PJ048724 NEEEMW C35H48N8O14S 836.3011 NA PeJP NA NA +PJ048725 CCNNNNR C28H48N14O12S2 836.3018 NA PeJP NA NA +PJ048726 PPTCCMW C36H52N8O9S3 836.302 NA PeJP NA NA +PJ048727 SSQEEEE C31H48N8O19 836.3036 NA PeJP NA NA +PJ048728 SPNEEMM C32H52N8O14S2 836.3045 NA PeJP NA NA +PJ048729 ANDDEHH C32H44N12O15 836.3049 NA PeJP NA NA +PJ048730 GNDEEHH C32H44N12O15 836.305 NA PeJP NA NA +PJ048731 PCEYYY C40H48N6O12S 836.3051 NA PeJP NA NA +PJ048732 PPCQMMM C33H56N8O9S4 836.3053 NA PeJP NA NA +PJ048733 GAPPCMMM C33H56N8O9S4 836.3054 NA PeJP NA NA +PJ048734 GCCDHFR C33H48N12O10S2 836.3058 NA PeJP NA NA +PJ048735 SCNNDER C29H48N12O15S 836.3083 NA PeJP NA NA +PJ048736 TEMMYY C37H52N6O12S2 836.3085 NA PeJP NA NA +PJ048737 STCCMHR C30H52N12O10S3 836.3092 NA PeJP NA NA +PJ048738 MMMMFF C38H56N6O7S4 836.3094 NA PeJP NA NA +PJ048739 CNMHFW C38H48N10O8S2 836.3098 NA PeJP NA NA +PJ048740 DDDMRW C34H48N10O13S 836.3123 NA PeJP NA NA +PJ048741 GGGGGSEMW C34H48N10O13S 836.3124 NA PeJP NA NA +PJ048742 PCCCKHF C35H52N10O8S3 836.3132 NA PeJP NA NA +PJ048743 SSDDEER C30H48N10O18 836.3148 NA PeJP NA NA +PJ048744 GGGGGSSTEE C30H48N10O18 836.3149 NA PeJP NA NA +PJ048745 SPCDEMR C31H52N10O13S2 836.3157 NA PeJP NA NA +PJ048746 SNNNDHH C31H44N14O14 836.3162 NA PeJP NA NA +PJ048747 CNQFYY C39H48N8O11S 836.3163 NA PeJP NA NA +PJ048748 GEEMWW C39H48N8O11S 836.3164 NA PeJP NA NA +PJ048749 PPCCMMR C32H56N10O8S4 836.3166 NA PeJP NA NA +PJ048750 GSSSSSYY C35H48N8O16 836.3188 NA PeJP NA NA +PJ048751 GSTEEEW C35H48N8O16 836.3189 NA PeJP NA NA +PJ048752 GSPEMMW C36H52N8O11S2 836.3197 NA PeJP NA NA +PJ048753 NDEHHW C36H44N12O12 836.3202 NA PeJP NA NA +PJ048754 GDKEEEM C32H52N8O16S 836.3222 NA PeJP NA NA +PJ048755 AEEYYY C40H48N6O14 836.3229 NA PeJP NA NA +PJ048756 APQEMMM C33H56N8O11S3 836.3231 NA PeJP NA NA +PJ048757 GSCNDRW C33H48N12O12S 836.3236 NA PeJP NA NA +PJ048758 DMMFFF C41H52N6O9S2 836.3238 NA PeJP NA NA +PJ048759 GSSSNDDR C29H48N12O17 836.3261 NA PeJP NA NA +PJ048760 GNNDMMR C30H52N12O12S2 836.3269 NA PeJP NA NA +PJ048761 GGGNDMMR C30H52N12O12S2 836.327 NA PeJP NA NA +PJ048762 VMMMYY C38H56N6O9S3 836.3271 NA PeJP NA NA +PJ048763 SNNMWW C38H48N10O10S 836.3276 NA PeJP NA NA +PJ048764 SSSNQEW C34H48N10O15 836.3301 NA PeJP NA NA +PJ048765 NQQMMW C35H52N10O10S2 836.331 NA PeJP NA NA +PJ048766 EMWWW C43H48N8O8S 836.3316 NA PeJP NA NA +PJ048767 SSQQQEM C31H52N10O15S 836.3334 NA PeJP NA NA +PJ048768 GSEEEMR C31H52N10O15S 836.3335 NA PeJP NA NA +PJ048769 STEEWW C39H48N8O13 836.3341 NA PeJP NA NA +PJ048770 GPDMMMR C32H56N10O10S3 836.3343 NA PeJP NA NA +PJ048771 GGGGPCKMM C32H56N10O10S3 836.3344 NA PeJP NA NA +PJ048772 GNNQMHH C32H48N14O11S 836.3348 NA PeJP NA NA +PJ048773 SPMMWW C40H52N8O8S2 836.335 NA PeJP NA NA +PJ048774 GDHHWW C40H44N12O9 836.3355 NA PeJP NA NA +PJ048775 DKEEMW C36H52N8O13S 836.3375 NA PeJP NA NA +PJ048776 DDFFFF C44H48N6O11 836.3381 NA PeJP NA NA +PJ048777 GCCNERR C29H52N14O11S2 836.3382 NA PeJP NA NA +PJ048778 AAPMMMW C37H56N8O8S3 836.3384 NA PeJP NA NA +PJ048779 GPTCHHW C37H48N12O9S 836.3388 NA PeJP NA NA +PJ048780 SSKEEEE C32H52N8O18 836.34 NA PeJP NA NA +PJ048781 PTTQEMM C33H56N8O13S2 836.3408 NA PeJP NA NA +PJ048782 GLQEEMM C33H56N8O13S2 836.3409 NA PeJP NA NA +PJ048783 GNNNQQY C33H48N12O14 836.3413 NA PeJP NA NA +PJ048784 GGGGGGGGAQY C33H48N12O14 836.3414 NA PeJP NA NA +PJ048785 PTMYYY C41H52N6O11S 836.3415 NA PeJP NA NA +PJ048786 PPCKMMM C34H60N8O8S4 836.3417 NA PeJP NA NA +PJ048787 CNQMRW C34H52N12O9S2 836.3422 NA PeJP NA NA +PJ048788 CHHFFF C42H48N10O7S 836.3429 NA PeJP NA NA +PJ048789 SSNNEMR C30H52N12O14S 836.3447 NA PeJP NA NA +PJ048790 GSSSQWW C38H48N10O12 836.3453 NA PeJP NA NA +PJ048791 GGGSSTWW C38H48N10O12 836.3454 NA PeJP NA NA +PJ048792 PCCCQKR C31H56N12O9S3 836.3456 NA PeJP NA NA +PJ048793 GCNNHHR C31H48N16O10S 836.346 NA PeJP NA NA +PJ048794 GGGCNHHR C31H48N16O10S 836.3461 NA PeJP NA NA +PJ048795 SEEMRW C35H52N10O12S 836.3487 NA PeJP NA NA +PJ048796 GPEYWW C43H48N8O10 836.3494 NA PeJP NA NA +PJ048797 SSTEEER C31H52N10O17 836.3512 NA PeJP NA NA +PJ048798 AAEEMMR C32H56N10O12S2 836.3521 NA PeJP NA NA +PJ048799 SSNQQHH C32H48N14O13 836.3525 NA PeJP NA NA +PJ048800 GSDEHHR C32H48N14O13 836.3526 NA PeJP NA NA +PJ048801 SVEMWW C40H52N8O10S 836.3527 NA PeJP NA NA +PJ048802 GAPEMFW C40H52N8O10S 836.3528 NA PeJP NA NA +PJ048803 CCNRRW C33H52N14O8S2 836.3534 NA PeJP NA NA +PJ048804 SSSLEEW C36H52N8O15 836.3552 NA PeJP NA NA +PJ048805 GPDKEEY C36H52N8O15 836.3553 NA PeJP NA NA +PJ048806 SSCNDRR C29H52N14O13S 836.3559 NA PeJP NA NA +MJ095848 4-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Benzyl glycoside, 3'-benzoyl, tetrabenzyl C52H52O10 836.356047 NA MeJP NA NA +PJ048807 LQEMMW C37H56N8O10S2 836.3561 NA PeJP NA NA +PJ048808 TQEHHW C37H48N12O11 836.3566 NA PeJP NA NA +PJ048809 ATKEEEM C33H56N8O15S 836.3586 NA PeJP NA NA +PJ048810 SLEYYY C41H52N6O13 836.3593 NA PeJP NA NA +PJ048811 APKEMMM C34H60N8O10S3 836.3595 NA PeJP NA NA +PJ048812 ASSCQRW C34H52N12O11S 836.3599 NA PeJP NA NA +PJ048813 GSSNMRW C34H52N12O11S 836.36 NA PeJP NA NA +PJ048814 VMMFFY C42H56N6O8S2 836.3601 NA PeJP NA NA +PJ048815 GNQFWW C42H48N10O9 836.3606 NA PeJP NA NA +PJ048816 SSSSNNNK C30H52N12O16 836.3624 NA PeJP NA NA +PJ048817 GSSSSQER C30H52N12O16 836.3625 NA PeJP NA NA +PJ048818 DEMMRR C31H56N12O11S2 836.3633 NA PeJP NA NA +PJ048819 GGGGGACCKK C31H56N12O11S2 836.3634 NA PeJP NA NA +PJ048820 SCQKWW C39H52N10O9S 836.364 NA PeJP NA NA +PJ048821 PYWWW C47H48N8O7 836.3646 NA PeJP NA NA +PJ048822 SSSNKEW C35H52N10O14 836.3665 NA PeJP NA NA +PJ048823 NQKMMW C36H56N10O9S2 836.3673 NA PeJP NA NA +PJ048824 VDMMRW C36H56N10O9S2 836.3674 NA PeJP NA NA +PJ048825 SDHHRW C36H48N14O10 836.3678 NA PeJP NA NA +PJ048826 APMFWW C44H52N8O7S 836.368 NA PeJP NA NA +PJ048827 ATTEEMR C32H56N10O14S 836.3698 NA PeJP NA NA +PJ048828 VTTDDMR C32H56N10O14S 836.3699 NA PeJP NA NA +PJ048829 PDKEYW C40H52N8O12 836.3705 NA PeJP NA NA +PJ048830 APTMMMR C33H60N10O9S3 836.3707 NA PeJP NA NA +PJ048831 QEMHHR C33H52N14O10S 836.3712 NA PeJP NA NA +PJ048832 ALMMWW C41H56N8O7S2 836.3714 NA PeJP NA NA +PJ048833 ATHHWW C41H48N12O8 836.3718 NA PeJP NA NA +PJ048834 GGPHHFW C41H48N12O8 836.3719 NA PeJP NA NA +PJ048835 GTTLEMW C37H56N8O12S 836.3739 NA PeJP NA NA +PJ048836 PTFFYY C45H52N6O10 836.3745 NA PeJP NA NA +PJ048837 GSCQMRR C30H56N14O10S2 836.3746 NA PeJP NA NA +PJ048838 VQMHHW C38H52N12O8S 836.3752 NA PeJP NA NA +PJ048839 TTTKEEE C33H56N8O17 836.3764 NA PeJP NA NA +PJ048840 AVKEEMM C34H60N8O12S2 836.3772 NA PeJP NA NA +PJ048841 GLKEEMM C34H60N8O12S2 836.3773 NA PeJP NA NA +PJ048842 SSSSQRW C34H52N12O13 836.3777 NA PeJP NA NA +PJ048843 GGGGGGGGAPPP C34H52N12O13 836.3778 NA PeJP NA NA +PJ048844 VVMYYY C42H56N6O10S 836.3779 NA PeJP NA NA +PJ048845 CNKMRW C35H56N12O8S2 836.3786 NA PeJP NA NA +PJ048846 AAQHHHH C35H48N16O9 836.3791 NA PeJP NA NA +PJ048847 SSNDKMR C31H56N12O13S 836.3811 NA PeJP NA NA +PJ048848 GSSSKWW C39H52N10O11 836.3817 NA PeJP NA NA +PJ048849 GGGGGALYW C39H52N10O11 836.3818 NA PeJP NA NA +PJ048850 PCCCKKR C32H60N12O8S3 836.382 NA PeJP NA NA +PJ048851 CEHHRR C32H52N16O9S 836.3824 NA PeJP NA NA +PJ048852 GSTQKMW C36H56N10O11S 836.3851 NA PeJP NA NA +PJ048853 SPVYWW C44H52N8O9 836.3858 NA PeJP NA NA +PJ048854 AMHHRW C37H52N14O7S 836.3865 NA PeJP NA NA +PJ048855 TTTTEER C32H56N10O16 836.3876 NA PeJP NA NA +PJ048856 GTLEMMR C33H60N10O11S2 836.3885 NA PeJP NA NA +PJ048857 NNDRRY C33H52N14O12 836.3889 NA PeJP NA NA +PJ048858 GGNDRRY C33H52N14O12 836.389 NA PeJP NA NA +PJ048859 TTLMWW C41H56N8O9S 836.3891 NA PeJP NA NA +PJ048860 NHHHHR C34H48N18O8 836.3903 NA PeJP NA NA +PJ048861 STTTLEW C37H56N8O14 836.3916 NA PeJP NA NA +PJ048862 SSSNMRR C30H56N14O12S 836.3923 NA PeJP NA NA +PJ048863 LKEMMW C38H60N8O9S2 836.3925 NA PeJP NA NA +PJ048864 GQQRYW C38H52N12O10 836.393 NA PeJP NA NA +PJ048865 VMFFFF C46H56N6O7S 836.3932 NA PeJP NA NA +PJ048866 STLKEEM C34H60N8O14S 836.395 NA PeJP NA NA +PJ048867 SPLKMMM C35H64N8O9S3 836.3959 NA PeJP NA NA +PJ048868 GSTCKRW C35H56N12O10S 836.3963 NA PeJP NA NA +PJ048869 GGGPCKRY C35H56N12O10S 836.3964 NA PeJP NA NA +PJ048870 GNKFWW C43H52N10O8 836.397 NA PeJP NA NA +PJ048871 GSSSSKER C31H56N12O15 836.3988 NA PeJP NA NA +PJ048872 GSQKMMR C32H60N12O10S2 836.3997 NA PeJP NA NA +PJ048873 SCKKWW C40H56N10O8S 836.4004 NA PeJP NA NA +PJ048874 LFWWW C48H52N8O6 836.401 NA PeJP NA NA +PJ048875 SSTTQKW C36H56N10O13 836.4028 NA PeJP NA NA +PJ048876 SSSDKKW C36H56N10O13 836.4029 NA PeJP NA NA +PJ048877 TLMMRW C37H60N10O8S2 836.4037 NA PeJP NA NA +PJ048878 TTHHRW C37H52N14O9 836.4042 NA PeJP NA NA +PJ048879 STTLEMR C33H60N10O13S 836.4062 NA PeJP NA NA +MJ095849 Cyclosquamosin D C41H56N8O11 836.406854 NA MeJP NA NA +PJ048880 VLQEYW C41H56N8O11 836.4069 NA PeJP NA NA +PJ048881 GVLMMMR C34H64N10O8S3 836.4071 NA PeJP NA NA +PJ048882 NNMFRR C34H56N14O9S 836.4076 NA PeJP NA NA +PJ048883 LHHHFF C42H52N12O7 836.4082 NA PeJP NA NA +PJ048884 GSSSSTRR C30H56N14O14 836.4101 NA PeJP NA NA +PJ048885 SSTLLMW C38H60N8O11S 836.4102 NA PeJP NA NA +PJ048886 GPLKEMY C38H60N8O11S 836.4103 NA PeJP NA NA +PJ048887 VVFFYY C46H56N6O9 836.4109 NA PeJP NA NA +PJ048888 GSCKMRR C31H60N14O9S2 836.411 NA PeJP NA NA +PJ048889 VKMHHW C39H56N12O7S 836.4116 NA PeJP NA NA +PJ048890 ATTTTTLE C34H60N8O16 836.4127 NA PeJP NA NA +PJ048891 SSSTTLLE C34H60N8O16 836.4128 NA PeJP NA NA +PJ048892 SVLKEMM C35H64N8O11S2 836.4136 NA PeJP NA NA +PJ048893 SSSSKRW C35H56N12O12 836.4141 NA PeJP NA NA +PJ048894 PMMFRR C36H60N12O7S2 836.415 NA PeJP NA NA +PJ048895 AAKHHHH C36H52N16O8 836.4154 NA PeJP NA NA +PJ048896 GPPHHHR C36H52N16O8 836.4155 NA PeJP NA NA +PJ048897 SSTQKMR C32H60N12O12S 836.4175 NA PeJP NA NA +PJ048898 ALERYW C40H56N10O10 836.4181 NA PeJP NA NA +PJ048899 LMMMRR C33H64N12O7S3 836.4183 NA PeJP NA NA +PJ048900 TMHHRR C33H56N16O8S 836.4188 NA PeJP NA NA +MJ095850 3,12,14-Trihydroxypregn-5-ene-15,20-dione, 12-Ac, glycoside C43H64O16 836.419436 NA MeJP NA NA +MJ095851 Abrusogenin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-6-methylglucuronopyranoside] C43H64O16 836.419436 NA MeJP NA NA +MJ095852 Halichondramide C44H60N4O12 836.420773 NA MeJP NA NA +MJ095853 Rifametane C44H60N4O12 836.420773 NA MeJP NA NA +PJ048901 GSTKKMW C37H60N10O10S 836.4215 NA PeJP NA NA +PJ048902 GLLYWW C45H56N8O8 836.4221 NA PeJP NA NA +PJ048903 GAPLFFW C45H56N8O8 836.4222 NA PeJP NA NA +PJ048904 GSSTTKKE C33H60N10O15 836.424 NA PeJP NA NA +PJ048905 SSLLMMR C34H64N10O10S2 836.4249 NA PeJP NA NA +PJ048906 SQQRRY C34H56N14O11 836.4253 NA PeJP NA NA +PJ048907 GGGPKEHR C34H56N14O11 836.4254 NA PeJP NA NA +PJ048908 PLKMYW C42H60N8O8S 836.4255 NA PeJP NA NA +PJ048909 GVLKEEY C38H60N8O13 836.428 NA PeJP NA NA +PJ048910 SSTCKRR C31H60N14O11S 836.4287 NA PeJP NA NA +PJ048911 APLKMMF C39H64N8O8S2 836.4289 NA PeJP NA NA +PJ048912 GQKRYW C39H56N12O9 836.4294 NA PeJP NA NA +PJ048913 SSSSLLLM C35H64N8O13S 836.4314 NA PeJP NA NA +PJ048914 ALLKMMM C36H68N8O8S3 836.4323 NA PeJP NA NA +PJ048915 VEMFRR C36H60N12O9S 836.4327 NA PeJP NA NA +PJ048916 PVLHWW C44H56N10O7 836.4334 NA PeJP NA NA +PJ048917 GSSTTTKR C32H60N12O14 836.4352 NA PeJP NA NA +PJ048918 GSKKMMR C33H64N12O9S2 836.4361 NA PeJP NA NA +PJ048919 GSPQHRR C33H56N16O10 836.4366 NA PeJP NA NA +PJ048920 VVMFRW C41H60N10O7S 836.4368 NA PeJP NA NA +MJ095854 Acanthifolicin C44H68O13S 836.438062 NA MeJP NA NA +MJ095855 Melanodocin C44H68O13S 836.438062 NA MeJP NA NA +PJ048921 SSTTKKW C37H60N10O12 836.4392 NA PeJP NA NA +PJ048922 LKEERY C37H60N10O12 836.4393 NA PeJP NA NA +MJ095856 Furostane-1,2,3,4,5,22,26-heptol, 22-Me ether, 5,26-di-O-?-D-glucopyranoside C40H68O18 836.440565 NA MeJP NA NA +PJ048923 PNKHRW C38H56N14O8 836.4406 NA PeJP NA NA +PJ048924 SSKKKEM C34H64N10O12S 836.4426 NA PeJP NA NA +PJ048925 VLKEYW C42H60N8O10 836.4433 NA PeJP NA NA +PJ048926 CQKFRR C35H60N14O8S 836.444 NA PeJP NA NA +PJ048927 SPVLKMY C39H64N8O10S 836.4466 NA PeJP NA NA +PJ048928 GGALLLMY C39H64N8O10S 836.4467 NA PeJP NA NA +PJ048929 STTTTTLL C35H64N8O15 836.4491 NA PeJP NA NA +PJ048930 TTLLKMM C36H68N8O10S2 836.45 NA PeJP NA NA +PJ048931 TLERRY C36H60N12O11 836.4505 NA PeJP NA NA +PJ048932 SSTKKMR C33H64N12O11S 836.4538 NA PeJP NA NA +MJ095857 Anabaenopeptin B C41H60N10O9 836.454473 NA MeJP NA NA +PJ048933 SLLRYW C41H60N10O9 836.4545 NA PeJP NA NA +MJ095858 3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-(6-O-Acetyl-?-D-glucopyranoside), 28-O-?-D-glucopyranosyl ester C44H68O15 836.455821 NA MeJP NA NA +3261 beta-lactokinin (fr, of beta-lactoglobulin: 142-148) ALPMHIR 836.4564 ACE inhibitor Inhouse_peptide NA peptide +PJ048934 AALLMRY C38H64N10O9S 836.4579 NA PeJP NA NA +PJ048935 PLKFFW C46H60N8O7 836.4585 NA PeJP NA NA +PJ048936 SSSSTLKK C34H64N10O14 836.4604 NA PeJP NA NA +PJ048937 ATKKKMM C35H68N10O9S2 836.4612 NA PeJP NA NA +PJ048938 SQKRRY C35H60N14O10 836.4617 NA PeJP NA NA +PJ048939 LLKMFW C43H64N8O7S 836.4619 NA PeJP NA NA +PJ048940 ATLLKEY C39H64N8O12 836.4644 NA PeJP NA NA +PJ048941 GKKRYW C40H60N12O8 836.4657 NA PeJP NA NA +PJ048942 GPPPKRW C40H60N12O8 836.4658 NA PeJP NA NA +PJ048943 VLMRRY C37H64N12O8S 836.4691 NA PeJP NA NA +PJ048944 GSPKHRR C34H60N16O9 836.473 NA PeJP NA NA +PJ048945 ATTLLRY C38H64N10O11 836.4756 NA PeJP NA NA +PJ048946 GGVLLLEH C38H64N10O11 836.4757 NA PeJP NA NA +PJ048947 LKHHFR C39H60N14O7 836.477 NA PeJP NA NA +PJ048948 TTTKKKM C35H68N10O11S 836.479 NA PeJP NA NA +PJ048949 GPLLKFY C43H64N8O9 836.4797 NA PeJP NA NA +PJ048950 CKKFRR C36H64N14O7S 836.4804 NA PeJP NA NA +PJ048951 GLLLKMY C40H68N8O9S 836.483 NA PeJP NA NA +PJ048952 VNHRRR C33H60N18O8 836.4842 NA PeJP NA NA +PJ048953 DKKKRY C37H64N12O10 836.4869 NA PeJP NA NA +PJ048954 TKKKFW C42H64N10O8 836.4909 NA PeJP NA NA +MJ095859 Cucurbita-5,24-diene-3,7,16-triol, 16-O-(4,6-Di-O-acetyl-?-D-glucopyranoside), 3-O-?-D-xylopyranoside C45H72O14 836.492207 NA MeJP NA NA +MJ095860 Cucurbita-5,24-diene-3,7,16-triol, 16-O-(6-O-Acetyl-?-D-glucopyranoside), 3-O-(4-O-acetyl-?-D-xylopyranoside) C45H72O14 836.492207 NA MeJP NA NA +PJ048955 GVKKKMF C39H68N10O8S 836.4943 NA PeJP NA NA +PJ048956 GHRRRR C32H60N20O7 836.4954 NA PeJP NA NA +PJ048957 SKKRRY C36H64N14O9 836.4981 NA PeJP NA NA +MJ095861 Antibiotic LL-BH 890? C41H74NO16 836.50076 NA MeJP NA NA +MJ095862 Pentafungin C41H74NO16 836.50076 NA MeJP NA NA +PJ048958 STLLLKY C40H68N8O11 836.5008 NA PeJP NA NA +PJ048959 LLLHRW C41H64N12O7 836.5021 NA PeJP NA NA +MJ095863 Dolastatin 15 C45H68N6O9 836.504777 NA MeJP NA NA +PJ048960 KKKMFR C38H68N12O7S 836.5055 NA PeJP NA NA +PJ048961 LQKHRR C35H64N16O8 836.5093 NA PeJP NA NA +PJ048962 GPPVRRR C35H64N16O8 836.5094 NA PeJP NA NA +PJ048963 GTLKKKY C39H68N10O10 836.512 NA PeJP NA NA +PJ048964 PPVLLLW C44H68N8O8 836.516 NA PeJP NA NA +PJ048965 PPRRRR C34H64N18O7 836.5206 NA PeJP NA NA +MJ095864 Amitenone C53H72O8 836.522719 NA MeJP NA NA +PJ048966 SVLLLHR C38H68N12O9 836.5233 NA PeJP NA NA +MJ095865 Roxithromycin C41H76N2O15 836.524569 NA MeJP NA NA +C13173 Roxithromycin C41H76N2O15 836.5246 NA KEGG NA NA +C13174 Transferred to D01711 C41H76N2O15 836.5246 NA KEGG NA NA +C13175 Transferred to D01712 C41H76N2O15 836.5246 NA KEGG NA NA +C13176 Transferred to D01713 C41H76N2O15 836.5246 NA KEGG NA NA +C13177 Transferred to D01714 C41H76N2O15 836.5246 NA KEGG NA NA +C13178 Transferred to D01715 C41H76N2O15 836.5246 NA KEGG NA NA +PJ048967 APPLKRR C37H68N14O8 836.5345 NA PeJP NA NA +PJ048968 APPTLLLL C41H72N8O10 836.5372 NA PeJP NA NA +C13888 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1'-myo- C43H81O13P 836.5415 NA KEGG NA NA +HMDB09782 PI(16:0/18:1(11Z)) C43H81O13P 836.541504 NA HMDB2010 NA NA +HMDB09783 PI(16:0/18:1(9Z)) C43H81O13P 836.541504 NA HMDB2010 NA NA +HMDB09799 PI(16:1(9Z)/18:0) C43H81O13P 836.541504 NA HMDB2010 NA NA +HMDB09806 PI(18:0/16:1(9Z)) C43H81O13P 836.541504 NA HMDB2010 NA NA +HMDB09822 PI(18:1(11Z)/16:0) C43H81O13P 836.541504 NA HMDB2010 NA NA +HMDB09834 PI(18:1(9Z)/16:0) C43H81O13P 836.541504 NA HMDB2010 NA NA +PJ048969 LKKHRR C36H68N16O7 836.5457 NA PeJP NA NA +PJ048970 TLLLLKH C40H72N10O9 836.5484 NA PeJP NA NA +PJ048971 PPVLKKR C39H72N12O8 836.5596 NA PeJP NA NA +PJ048972 GPVLLLLL C42H76N8O9 836.5736 NA PeJP NA NA +PJ048973 PLLLLLR C41H76N10O8 836.5848 NA PeJP NA NA +MJ095866 Stigmasta-5,24(28)-dien-3-ol, 3-O-[6-O-(9,12-Octadecadienoyl)-?-D-glucopyranoside] C53H88O7 836.653005 NA MeJP NA NA +MJ095867 20(29)-Lupen-3-ol, 3,5-Diacetoxyeicosanoyl C54H92O6 836.68939 NA MeJP NA NA +HMDB02170 Malonyl-CoA semialdehyde C24H38N7O18P3S 837.120667 NA HMDB2010 NA NA +HMDB02170 Malonyl-CoA semialdehyde C24H38N7O18P3S 837.12067 http://www.hmdb.ca/metabolites/HMDB02170 HMDB NA NA +HMDB06808 3-Oxopropionyl-CoA C24H38N7O18P3S 837.12067 http://www.hmdb.ca/metabolites/HMDB06808 HMDB NA NA +HMDB02170 Malonyl-CoA semialdehyde C24H38N7O18P3S 837.12067 HMDB02170 PFEM_hmdb_metabocards_official NA NA +HMDB06808 3-Oxopropionyl-CoA C24H38N7O18P3S 837.12067 HMDB06808 PFEM_hmdb_metabocards_official NA NA +MJ095868 3-Oxopropionyl-CoA C24H38N7O18P3S 837.120687 NA MeJP NA NA +MetaCyc04167 malonate semialdehyde-CoA [malonate semialdehyde-coenzyme A;] C24H38N7O18P3S1 837.120688 NA metacyc NA NA +C05989 3-Oxopropionyl-CoA C24H38N7O18P3S 837.1207 NA KEGG NA NA +PJ048974 SCCCCCCN C25H43N9O11S6 837.1407 NA PeJP NA NA +HMDB01088 Butyryl-CoA C25H42N7O17P3S 837.15704 http://www.hmdb.ca/metabolites/HMDB01088 HMDB NA NA +HMDB01243 Isobutyryl-CoA C25H42N7O17P3S 837.15704 http://www.hmdb.ca/metabolites/HMDB01243 HMDB NA NA +HMDB01088 Butyryl-CoA C25H42N7O17P3S 837.15704 HMDB01088 PFEM_hmdb_metabocards_official NA NA +HMDB01243 Isobutyryl-CoA C25H42N7O17P3S 837.15704 HMDB01243 PFEM_hmdb_metabocards_official NA NA +MJ095869 2-Methylpropanoyl-CoA C25H42N7O17P3S 837.157073 NA MeJP NA NA +MJ095870 Butanoyl-CoA C25H42N7O17P3S 837.157073 NA MeJP NA NA +MetaCyc04168 isobutyryl-CoA [2-methylpropanoyl-CoA;isobutyryl-coenzyme A;2-methylpropionyl-CoA;S-(2-methylpropanoyl)-CoA;] C25H42N7O17P3S1 837.157073 15621-60-0 metacyc NA NA +MetaCyc04169 butyryl-CoA [butanoyl-CoA;butyryl-coenzyme A;] C25H42N7O17P3S1 837.157073 2140-48-9 metacyc NA NA +C00136 Butanoyl-CoA C25H42N7O17P3S 837.1571 NA KEGG NA NA +C00630 2-Methylpropanoyl-CoA C25H42N7O17P3S 837.1571 NA KEGG NA NA +LABER053 n-butyryl-CoA NA 837.157104 NA PFEM_hmdb_metabocards_urine NA urine +LABER053 n-butyryl-CoA NA 837.157104 NA BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +LABER053 n-butyryl-CoA NA 837.157104 NA Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +LABER053 n-butyryl-CoA NA 837.157104 NA banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +LABER053 n-butyryl-CoA NA 837.157104 NA HMDB NA NA +HMDB01088 Butyryl-CoA C25H42N7O17P3S 837.157104 NA HMDB2010 NA NA +HMDB01243 Isobutyryl-CoA C25H42N7O17P3S 837.157104 NA HMDB2010 NA NA +LABER053 n-butyryl-CoA NA 837.157104 NA Inhouse_PFEM NA NA +LABER053 n-butyryl-CoA NA 837.157104 NA Inhousejuil11 NA NA +LABER053 n-butyryl-CoA NA 837.157104 NA PFEM_hmdb_metabocards_blood NA blood +LABER053 n-butyryl-CoA NA 837.157104 NA PFEM_hmdb_metabocards_official NA NA +PJ048975 CCCCDEY C30H43N7O13S4 837.1802 NA PeJP NA NA +PJ048976 CCCCEMF C31H47N7O10S5 837.1988 NA PeJP NA NA +PJ048977 CCDDDMH C29H43N9O14S3 837.2092 NA PeJP NA NA +PJ048978 DDDDDDE C29H39N7O22 837.2149 NA PeJP NA NA +PJ048979 SCCCEMY C31H47N7O12S4 837.2166 NA PeJP NA NA +PJ048980 GSCCCNDH C28H43N11O13S3 837.2204 NA PeJP NA NA +PJ048981 GPCCNDDD C29H43N9O16S2 837.227 NA PeJP NA NA +PJ048982 GCCDDYY C34H43N7O14S2 837.231 NA PeJP NA NA +PJ048983 PCCCCFY C35H47N7O9S4 837.2318 NA PeJP NA NA +PJ048984 GCCMMMY C32H51N7O9S5 837.2352 NA PeJP NA NA +PJ048985 CCCNQMH C29H47N11O10S4 837.239 NA PeJP NA NA +PJ048986 GGCCCQMH C29H47N11O10S4 837.2391 NA PeJP NA NA +PJ048987 NNDDDDM C29H43N9O18S 837.2447 NA PeJP NA NA +PJ048988 SCDDMMH C30H47N9O13S3 837.2456 NA PeJP NA NA +PJ048989 SPCCCYY C35H47N7O11S3 837.2496 NA PeJP NA NA +PJ048990 CCCCNHR C28H47N13O9S4 837.2503 NA PeJP NA NA +PJ048991 SDDDEEE C30H43N7O21 837.2512 NA PeJP NA NA +PJ048992 PDDDDMM C31H47N7O16S2 837.2521 NA PeJP NA NA +PJ048993 STCCMMY C32H51N7O11S4 837.253 NA PeJP NA NA +PJ048994 GSCNNNDD C28H43N11O17S 837.2559 NA PeJP NA NA +PJ048995 GGGSCNNDD C28H43N11O17S 837.256 NA PeJP NA NA +PJ048996 GSSCCNMH C29H47N11O12S3 837.2568 NA PeJP NA NA +PJ048997 GCNDDEW C33H43N9O15S 837.26 NA PeJP NA NA +PJ048998 PCCCEHF C34H47N9O10S3 837.2608 NA PeJP NA NA +PJ048999 GSSNDDDE C29H43N9O20 837.2625 NA PeJP NA NA +PJ049000 GSPCNDDM C30H47N9O15S2 837.2633 NA PeJP NA NA +PJ049001 GGGSPCDDM C30H47N9O15S2 837.2634 NA PeJP NA NA +PJ049002 GCEMMMH C31H51N9O10S4 837.2642 NA PeJP NA NA +PJ049003 SCCDHHH C31H43N13O11S2 837.2647 NA PeJP NA NA +PJ049004 PDDDDDF C34H43N7O18 837.2665 NA PeJP NA NA +PJ049005 GSCDMYY C35H47N7O13S2 837.2674 NA PeJP NA NA +PJ049006 GCCMMFF C36H51N7O8S4 837.2682 NA PeJP NA NA +PJ049007 GDEEEEM C31H47N7O18S 837.2699 NA PeJP NA NA +PJ049008 PCDDDHH C32H43N11O14S 837.2712 NA PeJP NA NA +MJ095871 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,2,8-Tris(3-pyridinecarbonyl), 9-benzoyl, 6,14-di-Ac C44H43N3O14 837.274503 NA MeJP NA NA +MJ095872 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 2,6,8-Tris(3-pyridinecarbonyl), 9-benzoyl, 1,14-di-Ac C44H43N3O14 837.274503 NA MeJP NA NA +PJ049009 SSSSCCQH C29H47N11O14S2 837.2746 NA PeJP NA NA +PJ049010 CNDDWW C37H43N9O12S 837.2752 NA PeJP NA NA +PJ049011 CCCNKMH C30H51N11O9S4 837.2754 NA PeJP NA NA +PJ049012 GPPCCCCR C30H51N11O9S4 837.2755 NA PeJP NA NA +PJ049013 SSNDDDW C33H43N9O17 837.2777 NA PeJP NA NA +PJ049014 SPCCNEW C34H47N9O12S2 837.2786 NA PeJP NA NA +PJ049015 CMMMHW C35H51N9O7S4 837.2795 NA PeJP NA NA +PJ049016 SNNDEEM C30H47N9O17S 837.2811 NA PeJP NA NA +PJ049017 SSDMMMH C31H51N9O12S3 837.282 NA PeJP NA NA +PJ049018 TCCYYW C39H47N7O10S2 837.2826 NA PeJP NA NA +PJ049019 ACCMHHH C32H47N13O8S3 837.2833 NA PeJP NA NA +PJ049020 DEEEMW C35H47N7O15S 837.2851 NA PeJP NA NA +PJ049021 CCNNNDR C28H47N13O13S2 837.2858 NA PeJP NA NA +PJ049022 CQMMYY C36H51N7O10S3 837.286 NA PeJP NA NA +PJ049023 SSEEEEE C31H47N7O20 837.2876 NA PeJP NA NA +PJ049024 SPDEEMM C32H51N7O15S2 837.2885 NA PeJP NA NA +PJ049025 GDDEEHH C32H43N11O16 837.289 NA PeJP NA NA +PJ049026 PPCEMMM C33H55N7O10S4 837.2894 NA PeJP NA NA +PJ049027 GCNNNMW C33H47N11O11S2 837.2898 NA PeJP NA NA +PJ049028 GGGGGGGCMW C33H47N11O11S2 837.2899 NA PeJP NA NA +PJ049029 SCNDDER C29H47N11O16S 837.2923 NA PeJP NA NA +PJ049030 GGGGGGGSSDM C29H47N11O16S 837.2924 NA PeJP NA NA +PJ049031 PCCNDMR C30H51N11O11S3 837.2932 NA PeJP NA NA +PJ049032 GSPCCWW C38H47N9O9S2 837.2939 NA PeJP NA NA +PJ049033 GTCDQEW C34H47N9O14S 837.2963 NA PeJP NA NA +PJ049034 GSNDEMW C34H47N9O14S 837.2964 NA PeJP NA NA +PJ049035 GPCNMMW C35H51N9O9S3 837.2972 NA PeJP NA NA +PJ049036 ASSSNDEE C30H47N9O19 837.2988 NA PeJP NA NA +PJ049037 GSSSNEEE C30H47N9O19 837.2989 NA PeJP NA NA +PJ049038 GNQEEMM C31H51N9O14S2 837.2997 NA PeJP NA NA +PJ049039 SNNDDHH C31H43N13O15 837.3002 NA PeJP NA NA +PJ049040 CNEFYY C39H47N7O12S 837.3004 NA PeJP NA NA +PJ049041 GTMMMMH C32H55N9O9S4 837.3006 NA PeJP NA NA +PJ049042 SSCMHHH C32H47N13O10S2 837.3011 NA PeJP NA NA +PJ049043 GPDEEEY C35H47N7O17 837.3029 NA PeJP NA NA +PJ049044 GSSMMYY C36H51N7O12S2 837.3037 NA PeJP NA NA +PJ049045 DDEHHW C36H43N11O13 837.3042 NA PeJP NA NA +PJ049046 ATEEEEM C32H51N7O17S 837.3062 NA PeJP NA NA +PJ049047 APEEMMM C33H55N7O12S3 837.3071 NA PeJP NA NA +PJ049048 GSCDDRW C33H47N11O13S 837.3076 NA PeJP NA NA +PJ049049 APCCCRW C34H51N11O8S3 837.3085 NA PeJP NA NA +PJ049050 GSSSDDDR C29H47N11O18 837.3101 NA PeJP NA NA +PJ049051 SSSSCCKH C30H51N11O13S2 837.3109 NA PeJP NA NA +PJ049052 GNDDMMR C30H51N11O13S2 837.311 NA PeJP NA NA +PJ049053 SNDMWW C38H47N9O11S 837.3116 NA PeJP NA NA +PJ049054 SSSNEEW C34H47N9O16 837.3141 NA PeJP NA NA +PJ049055 NQEMMW C35H51N9O11S2 837.315 NA PeJP NA NA +PJ049056 GCFYYW C43H47N7O9S 837.3156 NA PeJP NA NA +PJ049057 SSQQEEM C31H51N9O16S 837.3175 NA PeJP NA NA +PJ049058 PDEEYW C39H47N7O14 837.3181 NA PeJP NA NA +PJ049059 STTMMMH C32H55N9O11S3 837.3183 NA PeJP NA NA +PJ049060 GGSPQMMM C32H55N9O11S3 837.3184 NA PeJP NA NA +PJ049061 GNNEMHH C32H47N13O12S 837.3188 NA PeJP NA NA +PJ049062 CQMFFY C40H51N7O9S2 837.319 NA PeJP NA NA +MJ095873 Sulfurmycin B C43H51NO16 837.320784 NA MeJP NA NA +MJ095874 Sulfurmycin Y C43H51NO16 837.320784 NA MeJP NA NA +PJ049063 SSSTMYY C36H51N7O14S 837.3215 NA PeJP NA NA +PJ049064 GCCDERR C29H51N13O12S2 837.3222 NA PeJP NA NA +PJ049065 CKMMYY C37H55N7O9S3 837.3224 NA PeJP NA NA +PJ049066 GCNNHFF C37H47N11O10S 837.3228 NA PeJP NA NA +PJ049067 GGGCNHFF C37H47N11O10S 837.3229 NA PeJP NA NA +PJ049068 TTTEEEE C32H51N7O19 837.324 NA PeJP NA NA +MJ095875 Wedeloside; 4'-O-Sulfate C40H55NO16S 837.324155 NA MeJP NA NA +PJ049069 GLEEEMM C33H55N7O14S2 837.3249 NA PeJP NA NA +PJ049070 GSSSSNNW C33H47N11O15 837.3253 NA PeJP NA NA +PJ049071 GGGGGSSSSW C33H47N11O15 837.3254 NA PeJP NA NA +PJ049072 PPTMMMM C34H59N7O9S4 837.3257 NA PeJP NA NA +PJ049073 CNEMRW C34H51N11O10S2 837.3262 NA PeJP NA NA +PJ049074 GTCWWW C42H47N9O8S 837.3269 NA PeJP NA NA +PJ049075 SSNDEMR C30H51N11O15S 837.3287 NA PeJP NA NA +PJ049076 GSSSEWW C38H47N9O13 837.3294 NA PeJP NA NA +PJ049077 SPCNMMR C31H55N11O10S3 837.3296 NA PeJP NA NA +PJ049078 GCNDHHR C31H47N15O11S 837.3301 NA PeJP NA NA +PJ049079 GQMMWW C39H51N9O8S2 837.3302 NA PeJP NA NA +PJ049080 GSTQEMW C35H51N9O13S 837.3327 NA PeJP NA NA +PJ049081 GGGGAPEMY C35H51N9O13S 837.3328 NA PeJP NA NA +PJ049082 GSYYYW C43H47N7O11 837.3334 NA PeJP NA NA +PJ049083 APCCKMW C36H55N9O8S3 837.3336 NA PeJP NA NA +PJ049084 NNMHHW C36H47N13O9S 837.3341 NA PeJP NA NA +PJ049085 GSSSDKEE C31H51N9O18 837.3352 NA PeJP NA NA +PJ049086 GNKEEMM C32H55N9O13S2 837.3361 NA PeJP NA NA +PJ049087 SSNQEHH C32H47N13O14 837.3366 NA PeJP NA NA +PJ049088 AQMYYY C40H51N7O11S 837.3367 NA PeJP NA NA +PJ049089 PEEMFW C40H51N7O11S 837.3368 NA PeJP NA NA +PJ049090 PCCNKHH C33H51N13O9S2 837.3374 NA PeJP NA NA +PJ049091 CCDRRW C33H51N13O9S2 837.3375 NA PeJP NA NA +PJ049092 APTEEEY C36H51N7O16 837.3393 NA PeJP NA NA +PJ049093 SSCDDRR C29H51N13O14S 837.3399 NA PeJP NA NA +PJ049094 GGGSSTCNR C29H51N13O14S 837.34 NA PeJP NA NA +PJ049095 LEEMMW C37H55N7O11S2 837.3401 NA PeJP NA NA +PJ049096 NNNQYW C37H47N11O12 837.3406 NA PeJP NA NA +PJ049097 PTCCCRR C30H55N13O9S3 837.3408 NA PeJP NA NA +PJ049098 GCMRWW C38H51N11O7S2 837.3415 NA PeJP NA NA +PJ049099 STLEEEM C33H55N7O16S 837.3426 NA PeJP NA NA +PJ049100 SPLEMMM C34H59N7O11S3 837.3435 NA PeJP NA NA +PJ049101 GSSDMRW C34H51N11O12S 837.344 NA PeJP NA NA +PJ049102 SSSWWW C42H47N9O10 837.3446 NA PeJP NA NA +PJ049103 APCHHHH C35H47N15O8S 837.3453 NA PeJP NA NA +PJ049104 GSSSSEER C30H51N11O17 837.3465 NA PeJP NA NA +PJ049105 GSQEMMR C31H55N11O12S2 837.3473 NA PeJP NA NA +PJ049106 GGGTEMMR C31H55N11O12S2 837.3474 NA PeJP NA NA +PJ049107 STQMWW C39H51N9O10S 837.348 NA PeJP NA NA +PJ049108 SSSDKEW C35H51N9O15 837.3505 NA PeJP NA NA +PJ049109 NKEMMW C36H55N9O10S2 837.3514 NA PeJP NA NA +PJ049110 GSSQHHW C36H47N13O11 837.3518 NA PeJP NA NA +PJ049111 GGGGGPNHW C36H47N13O11 837.3519 NA PeJP NA NA +PJ049112 CQFFFF C44H51N7O8S 837.352 NA PeJP NA NA +PJ049113 SSQKEEM C32H55N9O15S 837.3539 NA PeJP NA NA +PJ049114 VEEEFW C40H51N7O13 837.3545 NA PeJP NA NA +PJ049115 SPNKMMM C33H59N9O10S3 837.3547 NA PeJP NA NA +PJ049116 GGGAALMMM C33H59N9O10S3 837.3548 NA PeJP NA NA +PJ049117 GCNNQFR C33H51N13O11S 837.3552 NA PeJP NA NA +PJ049118 CKMFFY C41H55N7O8S2 837.3554 NA PeJP NA NA +PJ049119 PDHHFW C41H47N11O9 837.3559 NA PeJP NA NA +PJ049120 SSSSSNNR C29H51N13O16 837.3577 NA PeJP NA NA +PJ049121 GPLEEMY C37H55N7O13S 837.3579 NA PeJP NA NA +PJ049122 GSCEMRR C30H55N13O11S2 837.3586 NA PeJP NA NA +PJ049123 PPCLMMF C38H59N7O8S3 837.3588 NA PeJP NA NA +PJ049124 STCRWW C38H51N11O9S 837.3592 NA PeJP NA NA +PJ049125 NFWWW C46H47N9O7 837.3599 NA PeJP NA NA +PJ049126 SVLEEMM C34H59N7O13S2 837.3613 NA PeJP NA NA +PJ049127 SSSSERW C34H51N11O14 837.3617 NA PeJP NA NA +PJ049128 GGGGGGGKEY C34H51N11O14 837.3618 NA PeJP NA NA +PJ049129 PVVMMMM C35H63N7O8S4 837.3621 NA PeJP NA NA +PJ049130 SQMMRW C35H55N11O9S2 837.3626 NA PeJP NA NA +PJ049131 AAEHHHH C35H47N15O10 837.3631 NA PeJP NA NA +PJ049132 AMHFFW C43H51N9O7S 837.3633 NA PeJP NA NA +PJ049133 SSTQEMR C31H55N11O14S 837.3651 NA PeJP NA NA +PJ049134 GSTTTWW C39H51N9O12 837.3657 NA PeJP NA NA +PJ049135 GGGGLEYW C39H51N9O12 837.3658 NA PeJP NA NA +PJ049136 AAQMMMR C32H59N11O9S3 837.366 NA PeJP NA NA +PJ049137 GSNMHHR C32H51N15O10S 837.3664 NA PeJP NA NA +PJ049138 GGGSMHHR C32H51N15O10S 837.3665 NA PeJP NA NA +PJ049139 GKMMWW C40H55N9O7S2 837.3666 NA PeJP NA NA +PJ049140 NHHHFF C40H47N13O8 837.3671 NA PeJP NA NA +PJ049141 GSTKEMW C36H55N9O12S 837.3691 NA PeJP NA NA +PJ049142 PPEFYW C44H51N7O10 837.3698 NA PeJP NA NA +PJ049143 CQKHHW C37H51N13O8S 837.3705 NA PeJP NA NA +PJ049144 GSSTTKEE C32H55N9O17 837.3716 NA PeJP NA NA +PJ049145 GDKKEMM C33H59N9O12S2 837.3725 NA PeJP NA NA +PJ049146 GTNNNRY C33H51N13O13 837.3729 NA PeJP NA NA +PJ049147 NDDRRY C33H51N13O13 837.373 NA PeJP NA NA +PJ049148 PLEMYW C41H55N7O10S 837.3731 NA PeJP NA NA +PJ049149 PPVCEFF C41H55N7O10S 837.3732 NA PeJP NA NA +PJ049150 SCMRRW C34H55N13O8S2 837.3738 NA PeJP NA NA +PJ049151 DHHHHR C34H47N17O9 837.3743 NA PeJP NA NA +PJ049152 GVLEEEY C37H55N7O15 837.3756 NA PeJP NA NA +MJ095876 Formestin A C37H55N7O15 837.375614 NA MeJP NA NA +PJ049153 SSSDMRR C30H55N13O13S 837.3763 NA PeJP NA NA +PJ049154 SPPLMMY C38H59N7O10S2 837.3765 NA PeJP NA NA +PJ049155 GQERYW C38H51N11O11 837.377 NA PeJP NA NA +PJ049156 NMMMRR C31H59N13O8S3 837.3772 NA PeJP NA NA +PJ049157 ALLEMMM C35H63N7O10S3 837.3799 NA PeJP NA NA +PJ049158 GSTTMRW C35H55N11O11S 837.3803 NA PeJP NA NA +PJ049159 GSPQMRY C35H55N11O11S 837.3804 NA PeJP NA NA +PJ049160 GVQYWW C43H51N9O9 837.381 NA PeJP NA NA +PJ049161 ASSSTTER C31H55N11O16 837.3828 NA PeJP NA NA +PJ049162 GSSTTTER C31H55N11O16 837.3829 NA PeJP NA NA +PJ049163 GSKEMMR C32H59N11O11S2 837.3837 NA PeJP NA NA +PJ049164 SSSQHHR C32H51N15O12 837.3842 NA PeJP NA NA +PJ049165 STKMWW C40H55N9O9S 837.3844 NA PeJP NA NA +PJ049166 SSTTKEW C36H55N9O14 837.3869 NA PeJP NA NA +PJ049167 DKKMMW C37H59N9O9S2 837.3877 NA PeJP NA NA +PJ049168 AATKMMW C37H59N9O9S2 837.3878 NA PeJP NA NA +PJ049169 PNEHRW C37H51N13O10 837.3882 NA PeJP NA NA +PJ049170 CKFFFF C45H55N7O7S 837.3884 NA PeJP NA NA +PJ049171 SSKKEEM C33H59N9O14S 837.3902 NA PeJP NA NA +PJ049172 AASTTKEM C33H59N9O14S 837.3903 NA PeJP NA NA +PJ049173 VLEEYW C41H55N7O12 837.3909 NA PeJP NA NA +PJ049174 GLQKMMM C34H63N9O9S3 837.3911 NA PeJP NA NA +PJ049175 GSPCRRY C34H55N13O10S 837.3916 NA PeJP NA NA +PJ049176 QRYWW C42H51N11O8 837.3922 NA PeJP NA NA +PJ049177 GGPVHWW C42H51N11O8 837.3923 NA PeJP NA NA +PJ049178 SPVLEMY C38H59N7O12S 837.3943 NA PeJP NA NA +PJ049179 GSTMMRR C31H59N13O10S2 837.395 NA PeJP NA NA +PJ049180 AQMFRW C39H55N11O8S 837.3956 NA PeJP NA NA +PJ049181 TTLLEMM C35H63N7O12S2 837.3976 NA PeJP NA NA +PJ049182 SSTTTRW C35H55N11O13 837.3981 NA PeJP NA NA +PJ049183 SKMMRW C36H59N11O8S2 837.399 NA PeJP NA NA +PJ049184 NQHHFR C36H51N15O9 837.3995 NA PeJP NA NA +PJ049185 SSTKEMR C32H59N11O13S 837.4015 NA PeJP NA NA +PJ049186 VNKEYW C40H55N9O11 837.4021 NA PeJP NA NA +PJ049187 AAAPPPEW C40H55N9O11 837.4022 NA PeJP NA NA +PJ049188 AAKMMMR C33H63N11O8S3 837.4024 NA PeJP NA NA +PJ049189 GTCKHHR C33H55N15O9S 837.4028 NA PeJP NA NA +PJ049190 GPHRWW C41H51N13O7 837.4035 NA PeJP NA NA +PJ049191 SSSLKMW C37H59N9O11S 837.4055 NA PeJP NA NA +PJ049192 PPLYYW C45H55N7O9 837.4062 NA PeJP NA NA +PJ049193 ACFRRW C38H55N13O7S 837.4069 NA PeJP NA NA +PJ049194 SSSSTLKE C33H59N9O16 837.408 NA PeJP NA NA +PJ049195 ATKKEMM C34H63N9O11S2 837.4089 NA PeJP NA NA +PJ049196 SQERRY C34H55N13O12 837.4093 NA PeJP NA NA +PJ049197 GGTERRY C34H55N13O12 837.4094 NA PeJP NA NA +PJ049198 LLEMFW C42H59N7O9S 837.4095 NA PeJP NA NA +PJ049199 ATLLEEY C38H59N7O14 837.412 NA PeJP NA NA +PJ049200 SSTTMRR C31H59N13O12S 837.4127 NA PeJP NA NA +PJ049201 APLLMMY C39H63N7O9S2 837.4129 NA PeJP NA NA +PJ049202 GKERYW C39H55N11O10 837.4134 NA PeJP NA NA +PJ049203 SLLLMMM C36H67N7O9S3 837.4163 NA PeJP NA NA +PJ049204 GSPKMRY C36H59N11O10S 837.4167 NA PeJP NA NA +PJ049205 GGAALMRY C36H59N11O10S 837.4168 NA PeJP NA NA +PJ049206 GVKYWW C44H55N9O8 837.4174 NA PeJP NA NA +PJ049207 SSSSTTLR C32H59N11O15 837.4192 NA PeJP NA NA +PJ049208 ATTKMMR C33H63N11O10S2 837.4201 NA PeJP NA NA +PJ049209 GSPEHRR C33H55N15O11 837.4206 NA PeJP NA NA +PJ049210 VQKMFW C41H59N9O8S 837.4208 NA PeJP NA NA +PJ049211 TTTTTKW C37H59N9O13 837.4232 NA PeJP NA NA +PJ049212 AAKKEEY C37H59N9O13 837.4233 NA PeJP NA NA +PJ049213 GPKKMMF C38H63N9O8S2 837.4241 NA PeJP NA NA +PJ049214 GTRRYW C38H55N13O9 837.4246 NA PeJP NA NA +PJ049215 TTTKKEM C34H63N9O13S 837.4266 NA PeJP NA NA +PJ049216 SPPVLYY C42H59N7O11 837.4273 NA PeJP NA NA +PJ049217 GLKKMMM C35H67N9O8S3 837.4275 NA PeJP NA NA +PJ049218 VNMRRY C35H59N13O9S 837.428 NA PeJP NA NA +PJ049219 KRYWW C43H55N11O7 837.4286 NA PeJP NA NA +PJ049220 PTTILMY C39H63N7O11S 837.4306 NA PeJP NA NA +PJ049221 GLLLEMY C39H63N7O11S 837.4307 NA PeJP NA NA +PJ049222 NQQHRR C32H55N17O10 837.4318 NA PeJP NA NA +PJ049223 AKMFRW C40H59N11O7S 837.432 NA PeJP NA NA +PJ049224 DKKERY C36H59N11O12 837.4345 NA PeJP NA NA +PJ049225 SPHRRW C37H55N15O8 837.4358 NA PeJP NA NA +PJ049226 GGKHHFR C37H55N15O8 837.4359 NA PeJP NA NA +PJ049227 TTTTKMR C33H63N11O12S 837.4379 NA PeJP NA NA +PJ049228 VDKKYW C41H59N9O10 837.4385 NA PeJP NA NA +PJ049229 GMRRRY C34H59N15O8S 837.4392 NA PeJP NA NA +MJ095877 Cyclosquamosin B C38H63N9O10S 837.441859 NA MeJP NA NA +PJ049230 APTKKMY C38H63N9O10S 837.4419 NA PeJP NA NA +PJ049231 PLLFYW C46H59N7O8 837.4425 NA PeJP NA NA +PJ049232 SSTTTTLK C34H63N9O15 837.4444 NA PeJP NA NA +PJ049233 STLKKMM C35H67N9O10S2 837.4453 NA PeJP NA NA +PJ049234 SKERRY C35H59N13O11 837.4457 NA PeJP NA NA +PJ049235 GGGLLEHR C35H59N13O11 837.4458 NA PeJP NA NA +MJ095878 Trunkamide A C43H63N7O8S 837.445882 NA MeJP NA NA +PJ049236 LLLMYW C43H63N7O8S 837.4459 NA PeJP NA NA +PJ049237 STLLLEY C39H63N7O13 837.4484 NA PeJP NA NA +PJ049238 ALLLMMF C40H67N7O8S2 837.4493 NA PeJP NA NA +PJ049239 SVKRYW C40H59N11O9 837.4498 NA PeJP NA NA +PJ049240 LQKMRY C37H63N11O9S 837.4531 NA PeJP NA NA +PJ049241 LKHFFF C45H59N9O7 837.4538 NA PeJP NA NA +PJ049242 SSSSSKKK C33H63N11O14 837.4556 NA PeJP NA NA +PJ049243 TCCKKKK C34H67N11O9S2 837.4565 NA PeJP NA NA +PJ049244 STRRRY C34H59N15O10 837.457 NA PeJP NA NA +PJ049245 VKKMFW C42H63N9O7S 837.4572 NA PeJP NA NA +PJ049246 GTLKKEY C38H63N9O12 837.4596 NA PeJP NA NA +PJ049247 GGSTLLKY C38H63N9O12 837.4597 NA PeJP NA NA +PJ049248 VLQHRW C39H59N13O8 837.461 NA PeJP NA NA +PJ049249 GPLLLYY C43H63N7O10 837.4637 NA PeJP NA NA +PJ049250 CLKRRY C36H63N13O8S 837.4644 NA PeJP NA NA +C15730 Chivosazole C C47H67NO12 837.4663 NA KEGG NA NA +C15731 Chivosazole D C47H67NO12 837.4663 NA KEGG NA NA +MJ095879 Chivosazole E; 20-Me ether C47H67NO12 837.466326 NA MeJP NA NA +MJ095880 Chivosazole E; 3'-Me ether C47H67NO12 837.466326 NA MeJP NA NA +PJ049251 SVLLLMY C40H67N7O10S 837.467 NA PeJP NA NA +PJ049252 VDHRRR C33H59N17O9 837.4682 NA PeJP NA NA +PJ049253 GTTLKRY C37H63N11O11 837.4709 NA PeJP NA NA +PJ049254 ALHRRW C38H59N15O7 837.4722 NA PeJP NA NA +PJ049255 TLKKYW C42H63N9O9 837.4749 NA PeJP NA NA +PJ049256 GVLKKMY C39H67N9O9S 837.4783 NA PeJP NA NA +PJ049257 LLLFFW C47H63N7O7 837.4789 NA PeJP NA NA +PJ049258 APPLERR C36H63N13O10 837.4821 NA PeJP NA NA +PJ049259 GPPLLRW C41H63N11O8 837.4861 NA PeJP NA NA +MJ095881 Concanamycin E C44H71NO14 837.487455 NA MeJP NA NA +PJ049260 LKKMRY C38H67N11O8S 837.4895 NA PeJP NA NA +PJ049261 LKEHRR C35H63N15O9 837.4934 NA PeJP NA NA +PJ049262 SSLLKKY C39H67N9O11 837.496 NA PeJP NA NA +PJ049263 GPPVVLKE C39H67N9O11 837.4961 NA PeJP NA NA +PJ049264 VLKHRW C40H63N13O7 837.4974 NA PeJP NA NA +PJ049265 GLLLLFY C44H67N7O9 837.5001 NA PeJP NA NA +PJ049266 TLHRRR C34H63N17O8 837.5046 NA PeJP NA NA +PJ049267 GSKKKKY C38H67N11O10 837.5073 NA PeJP NA NA +PJ049268 PPVVLKW C43H67N9O8 837.5113 NA PeJP NA NA +PJ049269 VLLLLMH C40H71N9O8S 837.5147 NA PeJP NA NA +PJ049270 SPPLLRR C37H67N13O9 837.5185 NA PeJP NA NA +PJ049271 LKKFFR C42H67N11O7 837.5225 NA PeJP NA NA +PJ049272 GPPKKRR C36H67N15O8 837.5297 NA PeJP NA NA +HMDB09639 PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C49H76NO8P 837.530884 NA HMDB2010 NA NA +HMDB09672 PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C49H76NO8P 837.530884 NA HMDB2010 NA NA +HMDB09703 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C49H76NO8P 837.530884 NA HMDB2010 NA NA +HMDB09704 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C49H76NO8P 837.530884 NA HMDB2010 NA NA +PJ049273 GPPTLLLK C40H71N9O10 837.5324 NA PeJP NA NA +PJ049274 PVLLLQR C39H71N11O9 837.5437 NA PeJP NA NA +HMDB10166 PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C46H80NO10P 837.552002 NA HMDB2010 NA NA +PJ049275 APLLLRR C38H71N13O8 837.5549 NA PeJP NA NA +PJ049276 AAPLLLLK C41H75N9O9 837.5688 NA PeJP NA NA +PJ049277 PVLLLKR C40H75N11O8 837.58 NA PeJP NA NA +HMDB08054 PC(18:0/22:4(7Z,10Z,13Z,16Z)) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB08152 PC(18:2(9Z,12Z)/22:2(13Z,16Z)) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB08184 PC(18:3(6Z,9Z,12Z)/22:1(13Z)) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB08217 PC(18:3(9Z,12Z,15Z)/22:1(13Z)) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB08249 PC(18:4(6Z,9Z,12Z,15Z)/22:0) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB08279 PC(20:0/20:4(5Z,8Z,11Z,14Z)) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB08280 PC(20:0/20:4(8Z,11Z,14Z,17Z)) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB08310 PC(20:1(11Z)/20:3(5Z,8Z,11Z)) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB08311 PC(20:1(11Z)/20:3(8Z,11Z,14Z)) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB08342 PC(20:2(11Z,14Z)/20:2(11Z,14Z)) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB08374 PC(20:3(5Z,8Z,11Z)/20:1(11Z)) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB08438 PC(20:4(5Z,8Z,11Z,14Z)/20:0) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB08471 PC(20:4(8Z,11Z,14Z,17Z)/20:0) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB08536 PC(22:0/18:4(6Z,9Z,12Z,15Z)) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB08566 PC(22:1(13Z)/18:3(6Z,9Z,12Z)) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB08567 PC(22:1(13Z)/18:3(9Z,12Z,15Z)) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB08598 PC(22:2(13Z,16Z)/18:2(9Z,12Z)) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB08628 PC(22:4(7Z,10Z,13Z,16Z)/18:0) C48H88NO8P 837.624756 NA HMDB2010 NA NA +HMDB11201 PC(20:3(8Z,11Z,14Z)/20:1(11Z)) C48H88NO8P 837.624756 NA HMDB2010 NA NA +MJ095882 2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-glucopyranoside C49H91NO9 837.669383 NA MeJP NA NA +EUR1115 SM(d18:1/24:0) [M+Na]+ C47H96N2O6P 837.682547 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1115 SM(d18:1/24:0) [M+Na]+ C47H96N2O6P 837.682547 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1115 SM(d18:1/24:0) [M+Na]+ C47H96N2O6P 837.682547 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1115 SM(d18:1/24:0) [M+Na]+ C47H96N2O6P 837.682547 masses lipides attendues Inhousejuil11 NA NA +EUR1134 SM(d18:1/26:3) monoisotopic mass C49H94N2O6P 837.684951 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1134 SM(d18:1/26:3) monoisotopic mass C49H94N2O6P 837.684951 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1134 SM(d18:1/26:3) monoisotopic mass C49H94N2O6P 837.684951 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1134 SM(d18:1/26:3) monoisotopic mass C49H94N2O6P 837.684951 masses lipides attendues Inhousejuil11 NA NA +HMDB04976 Glucosylceramide (d18:1/26:1(17Z)) C50H95NO8 837.70575 http://www.hmdb.ca/metabolites/HMDB04976 HMDB NA NA +HMDB04976 Glucosylceramide (d18:1/26:1(17Z)) C50H95NO8 837.70575 HMDB04976 PFEM_hmdb_metabocards_official NA NA +HMDB04976 Glucosylceramide (d18:1/26:1(17Z)) C50H95NO8 837.70575 NA HMDB2010 NA NA +HMDB10713 Galactosylceramide (d18:1/26:1(17Z)) C50H95NO8 837.70575 NA HMDB2010 NA NA +MJ095883 Meralein C19H10HgI2O7S 837.794285 NA MeJP NA NA +PJ049278 SCCCCCCD C25H42N8O12S6 838.1247 NA PeJP NA NA +PJ049279 ACCCCCCM C26H46N8O9S7 838.1433 NA PeJP NA NA +C02335 beta-Alanyl-CoA C24H41N8O17P3S 838.1523 NA KEGG NA NA +MJ095884 beta-Alanyl-CoA C24H41N8O17P3S 838.152322 NA MeJP NA NA +MetaCyc04170 β-alanyl-CoA [β-alanyl-CoA;] C24H41N8O17P3S1 838.152322 NA metacyc NA NA +HMDB06805 beta-Alanyl-CoA C24H41N8O17P3S 838.15234 http://www.hmdb.ca/metabolites/HMDB06805 HMDB NA NA +HMDB06805 beta-Alanyl-CoA C24H41N8O17P3S 838.15234 HMDB06805 PFEM_hmdb_metabocards_official NA NA +HMDB06805 Beta-Alanyl-CoA C24H41N8O17P3S 838.152344 NA HMDB2010 NA NA +PJ049280 SSCCCCCM C26H46N8O11S6 838.1611 NA PeJP NA NA +PJ049281 CCCCNMY C30H46N8O10S5 838.1941 NA PeJP NA NA +MJ095885 Ustilaginoidin A, 8,8'-Di-O-?-D-glucopyranoside C40H38O20 838.195643 NA MeJP NA NA +PJ049282 GSCCCDDH C28H42N10O14S3 838.2045 NA PeJP NA NA +PJ049283 APCCCCCH C29H46N10O9S5 838.2053 NA PeJP NA NA +PJ049284 GPCCDDDD C29H42N8O17S2 838.211 NA PeJP NA NA +PJ049285 GSTCCCCY C30H46N8O12S4 838.2118 NA PeJP NA NA +PJ049286 CCCNEMH C29H46N10O11S4 838.2231 NA PeJP NA NA +PJ049287 CCCCNFF C34H46N8O9S4 838.2271 NA PeJP NA NA +PJ049288 NDDDDDM C29H42N8O19S 838.2287 NA PeJP NA NA +PJ049289 SSSSCCCY C30H46N8O14S3 838.2296 NA PeJP NA NA +PJ049290 CCCCDHR C28H46N12O10S4 838.2343 NA PeJP NA NA +PJ049291 GCCCMHW C33H46N10O8S4 838.2383 NA PeJP NA NA +PJ049292 GSCNNDDD C28H42N10O18S 838.24 NA PeJP NA NA +PJ049293 GSSCCDMH C29H46N10O13S3 838.2408 NA PeJP NA NA +PJ049294 GGGGGPCCCE C29H46N10O13S3 838.2409 NA PeJP NA NA +PJ049295 GCDDDEW C33H42N8O16S 838.244 NA PeJP NA NA +PJ049296 GCCCQYY C34H46N8O11S3 838.2448 NA PeJP NA NA +PJ049297 GGACCCYY C34H46N8O11S3 838.2449 NA PeJP NA NA +PJ049298 GSSDDDDE C29H42N8O21 838.2465 NA PeJP NA NA +PJ049299 GSPCDDDM C30H46N8O16S2 838.2474 NA PeJP NA NA +PJ049300 GPPCCCEM C31H50N8O11S4 838.2482 NA PeJP NA NA +FL3FABGS0023 Acacetin 7-(4''''-Acetylrhamnosyl)-(1->6)-glucosyl-(1->3)-(6''-acetylglucoside);7-[(O-4-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->3)-6-O-acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C38H46O21 838.25315 241478-30-8 knapsack NA NA +MJ095886 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-6-O-acetyl-?-D-glucopyranoside] C38H46O21 838.253158 NA MeJP NA NA +PJ049301 STCCCHW C33H46N10O10S3 838.2561 NA PeJP NA NA +PJ049302 SSSSCCEH C29H46N10O15S2 838.2586 NA PeJP NA NA +PJ049303 CDDDWW C37H42N8O13S 838.2592 NA PeJP NA NA +PJ049304 SCCQMMH C30H50N10O10S4 838.2594 NA PeJP NA NA +PJ049305 GGTCCMMH C30H50N10O10S4 838.2595 NA PeJP NA NA +PJ049306 SSDDDDW C33H42N8O18 838.2617 NA PeJP NA NA +PJ049307 SPCCDEW C34H46N8O13S2 838.2626 NA PeJP NA NA +PJ049308 PPCCCMW C35H50N8O8S4 838.2635 NA PeJP NA NA +PJ049309 SNDDEEM C30H46N8O18S 838.2651 NA PeJP NA NA +PJ049310 PCNDEMM C31H50N8O13S3 838.266 NA PeJP NA NA +PJ049311 CCNNDDR C28H46N12O14S2 838.2698 NA PeJP NA NA +PJ049312 GGGGGGGGGTCC C28H46N12O14S2 838.2699 NA PeJP NA NA +PJ049313 CEMMYY C36H50N6O11S3 838.27 NA PeJP NA NA +PJ049314 SCCCMHR C29H50N12O9S4 838.2707 NA PeJP NA NA +PJ049315 GCNNDMW C33H46N10O12S2 838.2738 NA PeJP NA NA +PJ049316 GGGCNDMW C33H46N10O12S2 838.2739 NA PeJP NA NA +PJ049317 SCDDDER C29H46N10O17S 838.2763 NA PeJP NA NA +PJ049318 TCDDDDR C29H46N10O17S 838.2764 NA PeJP NA NA +PJ049319 PCCDDMR C30H50N10O12S3 838.2772 NA PeJP NA NA +PJ049320 GSDDEMW C34H46N8O15S 838.2804 NA PeJP NA NA +PJ049321 GPCDMMW C35H50N8O10S3 838.2812 NA PeJP NA NA +PJ049322 GSSSDEEE C30H46N8O20 838.2829 NA PeJP NA NA +PJ049323 GNEEEMM C31H50N8O15S2 838.2837 NA PeJP NA NA +PJ049324 GGGEEEMM C31H50N8O15S2 838.2838 NA PeJP NA NA +PJ049325 SNDDDHH C31H42N12O16 838.2842 NA PeJP NA NA +PJ049326 CDEFYY C39H46N6O13S 838.2844 NA PeJP NA NA +PJ049327 GPPTCCMM C32H54N8O10S4 838.2846 NA PeJP NA NA +PJ049328 PCCNEHH C32H46N12O11S2 838.2851 NA PeJP NA NA +PJ049329 SSSCNNNN C28H46N12O16S 838.2876 NA PeJP NA NA +PJ049330 GSPCCCNR C29H50N12O11S3 838.2885 NA PeJP NA NA +PJ049331 CCNQWW C37H46N10O9S2 838.2891 NA PeJP NA NA +FL5FABGI0010 Anhydroicaritin 3-galactosyl-(1->3)-rhamnoside-7-glucoside C39H50O20 838.28954 128988-53-4 knapsack NA NA +FL5FABGI0011 Epimedin A C39H50O20 838.28954 110623-72-8 knapsack NA NA +FL5FABGI0012 Hexandraside F;Epimedin A1;3-[(6-Deoxy-3-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C39H50O20 838.28954 140147-77-9 knapsack NA NA +FL5FABGI0024 8-Prenylkaempferol 4'-methyl ether 3-rhamnosyl-(1->6)-galactoside-7-galactoside;3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl]oxy]-7-(beta-D-galactopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C39H50O20 838.28954 221040-57-9 knapsack NA NA +MJ095887 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-galactopyranosyl-(1?3)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C39H50O20 838.289544 NA MeJP NA NA +MJ095888 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C39H50O20 838.289544 NA MeJP NA NA +MJ095889 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C39H50O20 838.289544 NA MeJP NA NA +MJ095890 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside], 7-O-?-D-galactopyranoside C39H50O20 838.289544 NA MeJP NA NA +PJ049332 SSCNNEW C33H46N10O14S 838.2916 NA PeJP NA NA +PJ049333 GCNMMHF C34H50N10O9S3 838.2925 NA PeJP NA NA +PJ049334 SSSSNNDE C29H46N10O19 838.2941 NA PeJP NA NA +PJ049335 GDDDMMR C30H50N10O14S2 838.295 NA PeJP NA NA +MJ095891 ?-D-Xylopyranosyl-(1?3)-?-L-arabinopyranosyl-(1?4)-[?-D-apiofuranosyl-(1?3)]-?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-D-xylopyranose C32H54O25 838.295417 NA MeJP NA NA +PJ049336 SDDMWW C38H46N8O12S 838.2956 NA PeJP NA NA +PJ049337 SCCKMMH C31H54N10O9S4 838.2958 NA PeJP NA NA +PJ049338 SSSDEEW C34H46N8O17 838.2981 NA PeJP NA NA +PJ049339 NEEMMW C35H50N8O12S2 838.299 NA PeJP NA NA +PJ049340 GPCCHHW C36H46N12O8S2 838.3003 NA PeJP NA NA +PJ049341 SSQEEEM C31H50N8O17S 838.3015 NA PeJP NA NA +PJ049342 SDEYYY C39H46N6O15 838.3021 NA PeJP NA NA +PJ049343 SPNEMMM C32H54N8O12S3 838.3024 NA PeJP NA NA +PJ049344 CNNNNNF C32H46N12O13S 838.3028 NA PeJP NA NA +PJ049345 GGGGGGCNNF C32H46N12O13S 838.3029 NA PeJP NA NA +PJ049346 PCMYYY C40H50N6O10S2 838.303 NA PeJP NA NA +PJ049347 ACCCHFR C33H50N12O8S3 838.3037 NA PeJP NA NA +PJ049348 SCNNDMR C29H50N12O13S2 838.3062 NA PeJP NA NA +PJ049349 TMMMYY C37H54N6O10S3 838.3064 NA PeJP NA NA +PJ049350 GSSCNWW C37H46N10O11S 838.3068 NA PeJP NA NA +PJ049351 GGGSSCWW C37H46N10O11S 838.3069 NA PeJP NA NA +PJ049352 GNNDQEY C33H46N10O16 838.3093 NA PeJP NA NA +PJ049353 GSSSSNDW C33H46N10O16 838.3094 NA PeJP NA NA +PJ049354 CDEMRW C34H50N10O11S2 838.3102 NA PeJP NA NA +PJ049355 GGGGGGPCMF C34H50N10O11S2 838.3103 NA PeJP NA NA +PJ049356 SSDDEMR C30H50N10O16S 838.3127 NA PeJP NA NA +PJ049357 GSPDDYW C38H46N8O14 838.3134 NA PeJP NA NA +PJ049358 SPCDMMR C31H54N10O11S3 838.3136 NA PeJP NA NA +PJ049359 GCDDHHR C31H46N14O12S 838.3141 NA PeJP NA NA +PJ049360 ADMMWW C39H50N8O9S2 838.3142 NA PeJP NA NA +PJ049361 GEMMWW C39H50N8O9S2 838.3143 NA PeJP NA NA +PJ049362 ASTDEMW C35H50N8O14S 838.3167 NA PeJP NA NA +PJ049363 GSTEEMW C35H50N8O14S 838.3168 NA PeJP NA NA +PJ049364 GSPMMMW C36H54N8O9S3 838.3176 NA PeJP NA NA +PJ049365 NDMHHW C36H46N12O10S 838.3181 NA PeJP NA NA +PJ049366 ASSSTEEE C31H50N8O19 838.3192 NA PeJP NA NA +PJ049367 GSSTTEEE C31H50N8O19 838.3193 NA PeJP NA NA +MJ095892 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,7,10-Tribenzoyl, 4,9,13-tri-Ac C47H50O14 838.320056 NA MeJP NA NA +MJ095893 11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,9,10-Tribenzoyl, 4,7,13-tri-Ac C47H50O14 838.320056 NA MeJP NA NA +PJ049368 GDKEEMM C32H54N8O14S2 838.3201 NA PeJP NA NA +PJ049369 SNNNNNY C32H46N12O15 838.3206 NA PeJP NA NA +PJ049370 AEMYYY C40H50N6O12S 838.3208 NA PeJP NA NA +PJ049371 APQMMMM C33H58N8O9S4 838.321 NA PeJP NA NA +PJ049372 GSCCQRW C33H50N12O10S2 838.3215 NA PeJP NA NA +MJ095894 Antibiotic A 21459A C41H46N10O8S 838.322079 NA MeJP NA NA +PJ049373 GSSSCNER C29H50N12O15S 838.324 NA PeJP NA NA +PJ049374 NNNEYW C37H46N10O13 838.3246 NA PeJP NA NA +PJ049375 GCNQMMR C30H54N12O10S3 838.3248 NA PeJP NA NA +PJ049376 GGGGACMMR C30H54N12O10S3 838.3249 NA PeJP NA NA +PJ049377 CCNKWW C38H50N10O8S2 838.3255 NA PeJP NA NA +PJ049378 SSSNQMW C34H50N10O13S 838.328 NA PeJP NA NA +PJ049379 GDEFWW C42H46N8O11 838.3286 NA PeJP NA NA +PJ049380 ACCKMHF C35H54N10O8S3 838.3289 NA PeJP NA NA +PJ049381 MMWWW C43H50N8O6S2 838.3295 NA PeJP NA NA +PJ049382 SSSSSQQE C30H50N10O18 838.3305 NA PeJP NA NA +PJ049383 SNNDKMM C31H54N10O13S2 838.3313 NA PeJP NA NA +PJ049384 GSEEMMR C31H54N10O13S2 838.3314 NA PeJP NA NA +PJ049385 GSSSNNHH C31H46N14O14 838.3318 NA PeJP NA NA +PJ049386 STEMWW C39H50N8O11S 838.332 NA PeJP NA NA +PJ049387 APCMMMR C32H58N10O8S4 838.3322 NA PeJP NA NA +PJ049388 SPCCHHR C32H50N14O9S2 838.3327 NA PeJP NA NA +PJ049389 ACHHWW C40H46N12O7S 838.3333 NA PeJP NA NA +PJ049390 SSTTEEW C35H50N8O16 838.3345 NA PeJP NA NA +PJ049391 DKEMMW C36H54N8O11S2 838.3354 NA PeJP NA NA +PJ049392 GSSEHHW C36H46N12O12 838.3358 NA PeJP NA NA +PJ049393 GPNNDHW C36H46N12O12 838.3359 NA PeJP NA NA +PJ049394 PCFFYY C44H50N6O9S 838.336 NA PeJP NA NA +PJ049395 GCCNMRR C29H54N14O9S3 838.3361 NA PeJP NA NA +PJ049396 MMHHHF C37H50N12O7S2 838.3367 NA PeJP NA NA +PJ049397 SSKEEEM C32H54N8O16S 838.3379 NA PeJP NA NA +PJ049398 TTEYYY C40H50N6O14 838.3385 NA PeJP NA NA +PJ049399 GLQEMMM C33H58N8O11S3 838.3387 NA PeJP NA NA +PJ049400 GGALEMMM C33H58N8O11S3 838.3388 NA PeJP NA NA +PJ049401 SSSCNRW C33H50N12O12S 838.3392 NA PeJP NA NA +PJ049402 CLMFYY C41H54N6O9S2 838.3394 NA PeJP NA NA +PJ049403 GNNYWW C41H46N10O10 838.3399 NA PeJP NA NA +MJ095895 Saricandin C44H54O16 838.341185 NA MeJP NA NA +PJ049404 SSSSSNDR C29H50N12O17 838.3417 NA PeJP NA NA +PJ049405 SSNNMMR C30H54N12O12S2 838.3426 NA PeJP NA NA +PJ049406 PCDRYW C38H50N10O10S 838.3432 NA PeJP NA NA +PJ049407 GGGGQMFW C38H50N10O10S 838.3433 NA PeJP NA NA +PJ049408 DFWWW C46H46N8O8 838.3439 NA PeJP NA NA +PJ049409 GSSSSTQW C34H50N10O15 838.3457 NA PeJP NA NA +PJ049410 GGGNDKEY C34H50N10O15 838.3458 NA PeJP NA NA +PJ049411 SEMMRW C35H54N10O10S2 838.3466 NA PeJP NA NA +PJ049412 GNNNHHF C35H46N14O11 838.3471 NA PeJP NA NA +PJ049413 GPMYWW C43H50N8O8S 838.3473 NA PeJP NA NA +PJ049414 SSTEEMR C31H54N10O15S 838.3491 NA PeJP NA NA +PJ049415 VNEEYW C39H50N8O13 838.3498 NA PeJP NA NA +PJ049416 AAEMMMR C32H58N10O10S3 838.35 NA PeJP NA NA +PJ049417 SCNNKHH C32H50N14O11S 838.3504 NA PeJP NA NA +PJ049418 GSDMHHR C32H50N14O11S 838.3505 NA PeJP NA NA +PJ049419 SVMMWW C40H54N8O8S2 838.3506 NA PeJP NA NA +PJ049420 SSHHWW C40H46N12O9 838.3511 NA PeJP NA NA +PJ049421 SSSLEMW C36H54N8O13S 838.3531 NA PeJP NA NA +PJ049422 GGGLEEMF C36H54N8O13S 838.3532 NA PeJP NA NA +PJ049423 APYYYY C44H50N6O11 838.3538 NA PeJP NA NA +PJ049424 LQMMMW C37H58N8O8S3 838.354 NA PeJP NA NA +PJ049425 CNNFRW C37H50N12O9S 838.3545 NA PeJP NA NA +PJ049426 SSSSTLEE C32H54N8O18 838.3556 NA PeJP NA NA +PJ049427 ATKEEMM C33H58N8O13S2 838.3565 NA PeJP NA NA +PJ049428 DDDRRY C33H50N12O14 838.357 NA PeJP NA NA +PJ049429 SLMYYY C41H54N6O11S 838.3571 NA PeJP NA NA +PJ049430 APKMMMM C34H62N8O8S4 838.3574 NA PeJP NA NA +PJ049431 SPCKMHH C34H54N12O9S2 838.3578 NA PeJP NA NA +PJ049432 GSCCKRW C34H54N12O9S2 838.3579 NA PeJP NA NA +PJ049433 GSQHHHH C34H46N16O10 838.3583 NA PeJP NA NA +PJ049434 GSSSSQMR C30H54N12O14S 838.3603 NA PeJP NA NA +PJ049435 GGASSSSMR C30H54N12O14S 838.3604 NA PeJP NA NA +PJ049436 GEERYW C38H50N10O12 838.361 NA PeJP NA NA +PJ049437 DMMMRR C31H58N12O9S3 838.3612 NA PeJP NA NA +PJ049438 PCMFRW C39H54N10O7S2 838.3619 NA PeJP NA NA +MJ095896 2,3,5,14-Tetrahydroxy-19-oxo-20,22-bufadienolide, 2-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-2-O-acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside] C41H58O18 838.362315 NA MeJP NA NA +MJ095897 2,3-Dihydroxy-30-nor-23-oxo-12,20(29)-oleanadien-28-oic acid, 23-Carboxylic acid, 3-O-[?-D-glucuronopyranosyl-(1?3)-?-D-glucuronopyranoside] C41H58O18 838.362315 NA MeJP NA NA +MJ095898 3,14-Dihydroxybufa-5,7,20,22-tetraenolide, 3-Glycoside C41H58O18 838.362315 NA MeJP NA NA +PJ049439 SSSNKMW C35H54N10O12S 838.3644 NA PeJP NA NA +MJ095899 Vernamycin B? C43H50N8O10 838.364989 NA MeJP NA NA +PJ049440 GVEYWW C43H50N8O10 838.365 NA PeJP NA NA +PJ049441 CLMMRW C36H58N10O7S3 838.3652 NA PeJP NA NA +PJ049442 TCHHRW C36H50N14O8S 838.3657 NA PeJP NA NA +PJ049443 SSTTTTNQ C31H54N10O17 838.3668 NA PeJP NA NA +PJ049444 SSSSSQKE C31H54N10O17 838.3669 NA PeJP NA NA +PJ049445 ATTEMMR C32H58N10O12S2 838.3677 NA PeJP NA NA +PJ049446 GGGGTTKMM C32H58N10O12S2 838.3678 NA PeJP NA NA +PJ049447 SSSEHHR C32H50N14O13 838.3682 NA PeJP NA NA +PJ049448 GGGGGGGGGGLH C32H50N14O13 838.3683 NA PeJP NA NA +PJ049449 PDKMYW C40H54N8O10S 838.3684 NA PeJP NA NA +PJ049450 QMMHHR C33H54N14O8S2 838.3691 NA PeJP NA NA +PJ049451 TTTTTEW C36H54N8O15 838.3709 NA PeJP NA NA +PJ049452 GSSSSCRR C29H54N14O13S 838.3716 NA PeJP NA NA +PJ049453 GTTLMMW C37H58N8O10S2 838.3718 NA PeJP NA NA +PJ049454 SNNRYW C37H50N12O11 838.3722 NA PeJP NA NA +PJ049455 GGGGAPTHW C37H50N12O11 838.3723 NA PeJP NA NA +PJ049456 CLFFFY C45H54N6O8S 838.3724 NA PeJP NA NA +PJ049457 ACCCKRR C30H58N14O8S3 838.3725 NA PeJP NA NA +PJ049458 TTTKEEM C33H58N8O15S 838.3743 NA PeJP NA NA +PJ049459 GLKEMMM C34H62N8O10S3 838.3751 NA PeJP NA NA +PJ049460 NQQMRY C34H54N12O11S 838.3756 NA PeJP NA NA +MetaCyc04171 heme o [] C49H58N4O5FE1 838.375663 NA metacyc NA NA +HMDB01162 Heme O C49H58FeN4O5 838.375671 NA HMDB2010 NA NA +C15672 Heme O C49H58FeN4O5 838.3757 NA KEGG NA NA +PJ049461 ERYWW C42H50N10O9 838.3762 NA PeJP NA NA +PJ049462 PVDHWW C42H50N10O9 838.3763 NA PeJP NA NA +PJ049463 SSSSSTQR C30H54N12O16 838.3781 NA PeJP NA NA +PJ049464 SSCQKMR C31H58N12O11S2 838.379 NA PeJP NA NA +PJ049465 GNNNQHR C31H50N16O12 838.3794 NA PeJP NA NA +PJ049466 GGGNNQHR C31H50N16O12 838.3795 NA PeJP NA NA +PJ049467 SPMRYW C39H54N10O9S 838.3796 NA PeJP NA NA +PJ049468 VYWWW C47H50N8O7 838.3803 NA PeJP NA NA +PJ049469 GSSSSTKW C35H54N10O14 838.3821 NA PeJP NA NA +PJ049470 GGGGAPPPTE C35H54N10O14 838.3822 NA PeJP NA NA +PJ049471 GSCKKMW C36H58N10O9S2 838.383 NA PeJP NA NA +PJ049472 NEHHFR C36H50N14O10 838.3835 NA PeJP NA NA +PJ049473 GLMFWW C44H54N8O7S 838.3837 NA PeJP NA NA +PJ049474 TTTTEMR C32H58N10O14S 838.3855 NA PeJP NA NA +PJ049475 TLQEYW C40H54N8O12 838.3861 NA PeJP NA NA +PJ049476 VDKEYW C40H54N8O12 838.3862 NA PeJP NA NA +PJ049477 GTLMMMR C33H62N10O9S3 838.3864 NA PeJP NA NA +PJ049478 CNQRRY C33H54N14O10S 838.3868 NA PeJP NA NA +PJ049479 GGGACRRY C33H54N14O10S 838.3869 NA PeJP NA NA +PJ049480 PKMMFW C41H58N8O7S2 838.387 NA PeJP NA NA +PJ049481 VNHHFW C41H50N12O8 838.3875 NA PeJP NA NA +PJ049482 STTTLMW C37H58N8O12S 838.3895 NA PeJP NA NA +PJ049483 ALFYYY C45H54N6O10 838.3902 NA PeJP NA NA +PJ049484 LKMMMW C38H62N8O7S3 838.3904 NA PeJP NA NA +MJ095900 Antibiotic X 14766A C43H63ClO14 838.390634 NA MeJP NA NA +PJ049485 TKMHHW C38H54N12O8S 838.3909 NA PeJP NA NA +PJ049486 SSTTTTLE C33H58N8O17 838.392 NA PeJP NA NA +PJ049487 STLKEMM C34H62N8O12S2 838.3929 NA PeJP NA NA +PJ049488 GSTQQRY C34H54N12O13 838.3933 NA PeJP NA NA +PJ049489 SEERRY C34H54N12O13 838.3934 NA PeJP NA NA +PJ049490 APPMMHR C35H58N12O8S2 838.3942 NA PeJP NA NA +PJ049491 GSKHHHH C35H50N16O9 838.3947 NA PeJP NA NA +PJ049492 GSSSSKMR C31H58N12O13S 838.3967 NA PeJP NA NA +PJ049493 SVERYW C39H54N10O11 838.3974 NA PeJP NA NA +PJ049494 ACCKKMR C32H62N12O8S3 838.3976 NA PeJP NA NA +PJ049495 GPCNHRR C32H54N16O9S 838.3981 NA PeJP NA NA +MJ095901 3,21,24-Trihydroxy-11,13(18)-oleanadien-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H62O17 838.3987 NA MeJP NA NA +MJ095902 3,21-Dihydroxy-11-oxo-12-oleanen-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H62O17 838.3987 NA MeJP NA NA +MJ095903 3,24-Dihydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H62O17 838.3987 NA MeJP NA NA +MJ095904 3,24-Dihydroxy-22-oxo-12-oleanen-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H62O17 838.3987 NA MeJP NA NA +PJ049496 GHHFRW C40H50N14O7 838.3987 NA PeJP NA NA +PJ049497 SSTCKKW C36H58N10O11S 838.4007 NA PeJP NA NA +PJ049498 LQEMRY C36H58N10O11S 838.4008 NA PeJP NA NA +PJ049499 ATLYWW C44H54N8O9 838.4014 NA PeJP NA NA +PJ049500 SSSSSKKE C32H58N10O16 838.4032 NA PeJP NA NA +PJ049501 SSSSTDKK C32H58N10O16 838.4033 NA PeJP NA NA +PJ049502 STTLMMR C33H62N10O11S2 838.4041 NA PeJP NA NA +PJ049503 GSSNRRY C33H54N14O12 838.4046 NA PeJP NA NA +PJ049504 VLQMYW C41H58N8O9S 838.4048 NA PeJP NA NA +PJ049505 KMMHHR C34H58N14O7S2 838.4055 NA PeJP NA NA +PJ049506 GTLKEEY C37H58N8O14 838.4073 NA PeJP NA NA +PJ049507 AVLQMMF C38H62N8O9S2 838.4081 NA PeJP NA NA +PJ049508 GPLKMMY C38H62N8O9S2 838.4082 NA PeJP NA NA +PJ049509 GSPQKHW C38H54N12O10 838.4086 NA PeJP NA NA +PJ049510 SSSTTLLM C34H62N8O14S 838.4106 NA PeJP NA NA +PJ049511 SVLKMMM C35H66N8O9S3 838.4115 NA PeJP NA NA +PJ049512 VDMRRY C35H58N12O10S 838.412 NA PeJP NA NA +PJ049513 PTLHWW C43H54N10O8 838.4126 NA PeJP NA NA +PJ049514 GPPVHFW C43H54N10O8 838.4127 NA PeJP NA NA +PJ049515 SSSSSTKR C31H58N12O15 838.4145 NA PeJP NA NA +PJ049516 SSCKKMR C32H62N12O10S2 838.4154 NA PeJP NA NA +PJ049517 NQEHRR C32H54N16O11 838.4158 NA PeJP NA NA +PJ049518 GGGAEHRR C32H54N16O11 838.4159 NA PeJP NA NA +PJ049519 ALMRYW C40H58N10O8S 838.416 NA PeJP NA NA +PJ049520 GTTLERY C36H58N10O13 838.4185 NA PeJP NA NA +PJ049521 AALMMFR C37H62N10O8S2 838.4194 NA PeJP NA NA +PJ049522 VNQHRW C37H54N14O9 838.4199 NA PeJP NA NA +PJ049523 GSSTTKKM C33H62N10O13S 838.4219 NA PeJP NA NA +PJ049524 TLKEYW C41H58N8O11 838.4225 NA PeJP NA NA +PJ049525 GGGLLEFF C41H58N8O11 838.4226 NA PeJP NA NA +PJ049526 ACKKKMM C34H66N10O8S3 838.4228 NA PeJP NA NA +PJ049527 CNKRRY C34H58N14O9S 838.4232 NA PeJP NA NA +PJ049528 PPHFRW C42H54N12O7 838.4239 NA PeJP NA NA +PJ049529 GVLKEMY C38H62N8O11S 838.4259 NA PeJP NA NA +PJ049530 PLMHRW C39H58N12O7S 838.4273 NA PeJP NA NA +PJ049531 TTTTTTTL C34H62N8O16 838.4284 NA PeJP NA NA +PJ049532 GSTQKRY C35H58N12O12 838.4297 NA PeJP NA NA +PJ049533 GGGTTKRY C35H58N12O12 838.4298 NA PeJP NA NA +PJ049534 VMMFRR C36H62N12O7S2 838.4306 NA PeJP NA NA +PJ049535 GQHRRW C36H54N16O8 838.4311 NA PeJP NA NA +PJ049536 TTLRYW C40H58N10O10 838.4338 NA PeJP NA NA +MJ095905 3,12,14,16-Tetrahydroxycard-20(22)-enolide, 3-O-[3-O-Acetyl-D-digitoxosido(1?4)-D-digitoxosyl(1?4)-D-digitoxoside] C43H66O16 838.435086 NA MeJP NA NA +MJ095906 3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester, 30-Me ester C43H66O16 838.435086 NA MeJP NA NA +MJ095907 Helojaposide C43H66O16 838.435086 NA MeJP NA NA +MJ095908 Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] C43H66O16 838.435086 NA MeJP NA NA +MJ095909 Halichondramide; 5,6-Dihydro C44H62N4O12 838.436423 NA MeJP NA NA +PJ049537 LKEMRY C37H62N10O10S 838.4371 NA PeJP NA NA +PJ049538 GGGVKKMY C37H62N10O10S 838.4372 NA PeJP NA NA +PJ049539 PVKFYW C45H58N8O8 838.4378 NA PeJP NA NA +PJ049540 SSSTTTKK C33H62N10O15 838.4396 NA PeJP NA NA +PJ049541 SSKKKMM C34H66N10O10S2 838.4405 NA PeJP NA NA +PJ049542 LEEHRR C34H58N14O11 838.441 NA PeJP NA NA +PJ049543 VLKMYW C42H62N8O8S 838.4412 NA PeJP NA NA +PJ049544 PHHHRR C35H54N18O7 838.4423 NA PeJP NA NA +PJ049545 TTTILQY C38H62N8O13 838.4436 NA PeJP NA NA +PJ049546 SSLLKEY C38H62N8O13 838.4437 NA PeJP NA NA +PJ049547 GLLKMMF C39H66N8O8S2 838.4445 NA PeJP NA NA +PJ049548 VLEHRW C39H58N12O9 838.445 NA PeJP NA NA +PJ049549 TLMRRY C36H62N12O9S 838.4484 NA PeJP NA NA +PJ049550 VVLHWW C44H58N10O7 838.449 NA PeJP NA NA +C12070 Pulvomycin C47H66O13 838.4503 NA KEGG NA NA +MJ095910 Labilomycin C47H66O13 838.450342 NA MeJP NA NA +PJ049551 NKEHRR C33H58N16O10 838.4522 NA PeJP NA NA +PJ049552 CKKKFW C41H62N10O7S 838.4524 NA PeJP NA NA +PJ049553 SSTLLRY C37H62N10O12 838.4549 NA PeJP NA NA +PJ049554 PPQRRW C38H58N14O8 838.4562 NA PeJP NA NA +MJ095911 Muricatin VIII C40H70O18 838.456215 NA MeJP NA NA +PJ049555 GAPPRRW C38H58N14O8 838.4563 NA PeJP NA NA +PJ049556 PPVVLEW C42H62N8O10 838.4589 NA PeJP NA NA +PJ049557 APCKKHR C35H62N14O8S 838.4596 NA PeJP NA NA +PJ049558 ATLLKMY C39H66N8O10S 838.4623 NA PeJP NA NA +PJ049559 SQHRRR C32H58N18O9 838.4635 NA PeJP NA NA +PJ049560 GSTKKRY C36H62N12O11 838.4661 NA PeJP NA NA +PJ049561 GGPPVKER C36H62N12O11 838.4662 NA PeJP NA NA +PJ049562 GKHRRW C37H58N16O7 838.4675 NA PeJP NA NA +PJ049563 SKKKYW C41H62N10O9 838.4702 NA PeJP NA NA +MJ095912 12-Oleanene-3,16,22,28-tetrol, 16-Ac, 3-O-?-D-glucuronopyranoside, 28-O-?-L-rhamnopyranoside C44H70O15 838.471471 NA MeJP NA NA +MJ095913 12-Oleanene-3,16,22,28-tetrol, 22-Ac, 3-O-?-D-glucuronopyranoside, 28-O-?-L-rhamnopyranoside C44H70O15 838.471471 NA MeJP NA NA +MJ095914 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2,3-Di-O-acetyl-?-D-xylopyranoside), 6-O-?-D-xylopyranoside C44H70O15 838.471471 NA MeJP NA NA +MJ095915 20,24-Epoxycycloartane-3,6,16,25-tetrol, 6-O-?-D-Xylopyranoside, 3-O-(2,3-di-O-acetyl-?-D-xylopyranoside) C44H70O15 838.471471 NA MeJP NA NA +MJ095916 3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C44H70O15 838.471471 NA MeJP NA NA +MJ095917 3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C44H70O15 838.471471 NA MeJP NA NA +MJ095918 Polycavernoside A2; 4B,4C-Di-Me ether C44H70O15 838.471471 NA MeJP NA NA +PJ049564 AAKKKMY C38H66N10O9S 838.4735 NA PeJP NA NA +PJ049565 VLKFFW C46H62N8O7 838.4742 NA PeJP NA NA +PJ049566 GPPKERR C35H62N14O10 838.4774 NA PeJP NA NA +PJ049567 TTTLLKY C39H66N8O12 838.48 NA PeJP NA NA +PJ049568 GPPTLLLE C39H66N8O12 838.4801 NA PeJP NA NA +PJ049569 GPPVKRW C40H62N12O8 838.4814 NA PeJP NA NA +PJ049570 GLLLMHR C37H66N12O8S 838.4848 NA PeJP NA NA +PJ049571 GPPTRRR C34H62N16O9 838.4886 NA PeJP NA NA +PJ049572 ATTKKKY C38H66N10O11 838.4913 NA PeJP NA NA +PJ049573 PPKRRW C39H62N14O7 838.4926 NA PeJP NA NA +PJ049574 PPTLLLW C43H66N8O9 838.4953 NA PeJP NA NA +PJ049575 GPPVLLLM C40H70N8O9S 838.4987 NA PeJP NA NA +PJ049576 SKHRRR C33H62N18O8 838.4998 NA PeJP NA NA +PJ049577 STLLLHR C37H66N12O10 838.5025 NA PeJP NA NA +PJ049578 APPLKKW C42H66N10O8 838.5065 NA PeJP NA NA +MJ095919 Antibiotic TAN 1323C C45H74O14 838.507857 NA MeJP NA NA +PJ049579 PPLLLMR C39H70N10O8S 838.5099 NA PeJP NA NA +PJ049580 SPPVKRR C36H66N14O9 838.5138 NA PeJP NA NA +PJ049581 SSPPLLLL C40H70N8O11 838.5164 NA PeJP NA NA +PJ049582 AAPLLLLE C40H70N8O11 838.5165 NA PeJP NA NA +PJ049583 LKKKHW C41H66N12O7 838.5178 NA PeJP NA NA +PJ049584 AAPLRRR C35H66N16O8 838.525 NA PeJP NA NA +PJ049585 PVLLLER C39H70N10O10 838.5277 NA PeJP NA NA +PJ049586 PVVLLLW C44H70N8O8 838.5317 NA PeJP NA NA +PJ049587 PVRRRR C34H66N18O7 838.5362 NA PeJP NA NA +PJ049588 PPTLKKR C38H70N12O9 838.5389 NA PeJP NA NA +PJ049589 APVLKRR C37H70N14O8 838.5501 NA PeJP NA NA +PJ049590 GPLLKRR C37H70N14O8 838.5502 NA PeJP NA NA +PJ049591 GPTLLLLL C41H74N8O10 838.5528 NA PeJP NA NA +HMDB09781 PI(16:0/18:0) C43H83O13P 838.557129 NA HMDB2010 NA NA +HMDB09805 PI(18:0/16:0) C43H83O13P 838.557129 NA HMDB2010 NA NA +PJ049592 PLLLQKK C40H74N10O9 838.5641 NA PeJP NA NA +MJ095920 Gyroxanthin; 19-Dodecanoyl, 3'-Ac C54H78O7 838.574754 NA MeJP NA NA +MJ095921 Gyroxanthin; 9Z-Isomer, 19-dodecanoyl, 3'-Ac C54H78O7 838.574754 NA MeJP NA NA +PJ049593 PVVLKKR C39H74N12O8 838.5753 NA PeJP NA NA +PJ049594 AALLLLLL C42H78N8O9 838.5892 NA PeJP NA NA +MJ095922 Flavumycin A C54H80NO6 838.598564 NA MeJP NA NA +PJ049595 VLLLLLR C41H78N10O8 838.6004 NA PeJP NA NA +MJ095923 Stigmasta-5,24(28)-dien-3-ol, 3-O-[6-O-(9-Octadecenoyl)-?-D-glucopyranoside] C53H90O7 838.668655 NA MeJP NA NA +MJ095924 Oxalyl-CoA C23H36N7O19P3S 839.099952 NA MeJP NA NA +MetaCyc04172 oxalyl-CoA [CoA-oxalate;] C23H36N7O19P3S1 839.099952 NA metacyc NA NA +MetaCyc04173 oxalyl-CoA [] C23H36N7O19P3S1 839.099952 NA metacyc NA NA +C00313 Oxalyl-CoA C23H36N7O19P3S 839.1 NA KEGG NA NA +C00827 Lactoyl-CoA C24H40N7O18P3S 839.1363 NA KEGG NA NA +C00828 Menaquinone C16H16O2 839.1363 NA KEGG NA NA +C05668 3-Hydroxypropionyl-CoA C24H40N7O18P3S 839.1363 NA KEGG NA NA +MJ095925 3-Hydroxypropionyl-CoA C24H40N7O18P3S 839.136337 NA MeJP NA NA +MJ095926 Lactoyl-CoA C24H40N7O18P3S 839.136337 NA MeJP NA NA +MetaCyc04174 R-lactoyl-CoA [lactoyl-CoaA;] C24H40N7O18P3S1 839.136338 NA metacyc NA NA +MetaCyc04175 L-lactoyl-CoA [lactoyl-CoA;lactyl-Coa;] C24H40N7O18P3S1 839.136338 NA metacyc NA NA +MetaCyc04176 D-lactoyl-CoA [] C24H40N7O18P3S1 839.136338 NA metacyc NA NA +MetaCyc04177 3-hydroxypropionyl-CoA [3-hydroxypropionyl-coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;] C24H40N7O18P3S1 839.136338 NA metacyc NA NA +HMDB02125 b-Hydroxypropionyl-CoA C24H40N7O18P3S 839.13635 http://www.hmdb.ca/metabolites/HMDB02125 HMDB NA NA +HMDB02346 Lactyl-CoA C24H40N7O18P3S 839.13635 http://www.hmdb.ca/metabolites/HMDB02346 HMDB NA NA +HMDB06807 3-Hydroxypropionyl-CoA C24H40N7O18P3S 839.13635 http://www.hmdb.ca/metabolites/HMDB06807 HMDB NA NA +HMDB02125 b-Hydroxypropionyl-CoA C24H40N7O18P3S 839.13635 HMDB02125 PFEM_hmdb_metabocards_official NA NA +HMDB02346 Lactyl-CoA C24H40N7O18P3S 839.13635 HMDB02346 PFEM_hmdb_metabocards_official NA NA +HMDB06807 3-Hydroxypropionyl-CoA C24H40N7O18P3S 839.13635 HMDB06807 PFEM_hmdb_metabocards_official NA NA +HMDB02346 Lactyl-CoA C24H40N7O18P3S 839.136353 NA HMDB2010 NA NA +HMDB06807 3-Hydroxypropionyl-CoA C24H40N7O18P3S 839.136353 NA HMDB2010 NA NA +PJ049596 CCCCDMY C30H45N7O11S5 839.1781 NA PeJP NA NA +PJ049597 CCCCMMF C31H49N7O8S6 839.1967 NA PeJP NA NA +PJ049598 CCCDEMH C29H45N9O12S4 839.2071 NA PeJP NA NA +PJ049599 CCCCDFF C34H45N7O10S4 839.2111 NA PeJP NA NA +PJ049600 DDDDDDM C29H41N7O20S 839.2128 NA PeJP NA NA +PJ049601 SCCCMMY C31H49N7O10S5 839.2145 NA PeJP NA NA +PJ049602 GSCCCCQH C28H45N11O11S4 839.2183 NA PeJP NA NA +PJ049603 GSCNDDDD C28H41N9O19S 839.224 NA PeJP NA NA +PJ049604 GPCCCNDE C29H45N9O14S3 839.2249 NA PeJP NA NA +PJ049605 GCCCEYY C34H45N7O12S3 839.2289 NA PeJP NA NA +PJ049606 SSSCCCNH C28H45N11O13S3 839.2361 NA PeJP NA NA +PJ049607 PCCCNDW C33H45N9O11S3 839.2401 NA PeJP NA NA +PJ049608 CNNDDEM C29H45N9O16S2 839.2426 NA PeJP NA NA +PJ049609 SCCEMMH C30H49N9O11S4 839.2435 NA PeJP NA NA +PJ049610 CCCYYW C38H45N7O9S3 839.2441 NA PeJP NA NA +PJ049611 SSCCDYY C34H45N7O14S2 839.2466 NA PeJP NA NA +PJ049612 ACCCMFY C35H49N7O9S4 839.2475 NA PeJP NA NA +PJ049613 SDDDEEM C30H45N7O19S 839.2491 NA PeJP NA NA +PJ049614 PCDDEMM C31H49N7O14S3 839.25 NA PeJP NA NA +PJ049615 CCCNNHF C32H45N11O10S3 839.2513 NA PeJP NA NA +PJ049616 GGGGCCCHF C32H45N11O10S3 839.2514 NA PeJP NA NA +PJ049617 CCNDDDR C28H45N11O15S2 839.2538 NA PeJP NA NA +PJ049618 GGCCDDDR C28H45N11O15S2 839.2539 NA PeJP NA NA +PJ049619 GSCCCCKH C29H49N11O10S4 839.2547 NA PeJP NA NA +PJ049620 GCNDDMW C33H45N9O13S2 839.2579 NA PeJP NA NA +PJ049621 PCCCMHF C34H49N9O8S4 839.2587 NA PeJP NA NA +PJ049622 GSSNDDDM C29H45N9O18S 839.2604 NA PeJP NA NA +PJ049623 GSPCCNEM C30H49N9O13S3 839.2612 NA PeJP NA NA +PJ049624 GCMMMMH C31H53N9O8S5 839.2621 NA PeJP NA NA +PJ049625 TCCCHHH C31H45N13O9S3 839.2626 NA PeJP NA NA +MJ095927 Perdeacylwilfortrine; 8-Ketone, 2-benzoyl, 1,6,9,14-tetra-Ac C41H45NO18 839.263663 NA MeJP NA NA +PJ049626 PCDDDEF C34H45N7O16S 839.2644 NA PeJP NA NA +PJ049627 GTCCMYY C35H49N7O11S3 839.2652 NA PeJP NA NA +PJ049628 GDEEEMM C31H49N7O16S2 839.2678 NA PeJP NA NA +PJ049629 SDDDDHH C31H41N11O17 839.2682 NA PeJP NA NA +PJ049630 SCCNNNW C32H45N11O12S2 839.2691 NA PeJP NA NA +PJ049631 SSSCNNND C28H45N11O17S 839.2716 NA PeJP NA NA +PJ049632 GSPCCCDR C29H49N11O12S3 839.2725 NA PeJP NA NA +PJ049633 CCNEWW C37H45N9O10S2 839.2731 NA PeJP NA NA +PJ049634 SSCNDEW C33H45N9O15S 839.2756 NA PeJP NA NA +PJ049635 SPCCNMW C34H49N9O10S3 839.2765 NA PeJP NA NA +PJ049636 SSSSNDDE C29H45N9O20 839.2781 NA PeJP NA NA +PJ049637 SNNDEMM C30H49N9O15S2 839.279 NA PeJP NA NA +PJ049638 CNDYYY C38H45N7O13S 839.2796 NA PeJP NA NA +PJ049639 STCMMMH C31H53N9O10S4 839.2798 NA PeJP NA NA +PJ049640 PCNNMMM C31H53N9O10S4 839.2799 NA PeJP NA NA +PJ049641 ACCCFFF C39H49N7O8S3 839.2805 NA PeJP NA NA +PJ049642 SPDDDEY C34H45N7O18 839.2821 NA PeJP NA NA +PJ049643 GDDEEEF C34H45N7O18 839.2822 NA PeJP NA NA +PJ049644 DEEMMW C35H49N7O13S2 839.283 NA PeJP NA NA +PJ049645 CCCNNQR C28H49N13O11S3 839.2837 NA PeJP NA NA +PJ049646 SSEEEEM C31H49N7O18S 839.2855 NA PeJP NA NA +PJ049647 SPDEMMM C32H53N7O13S3 839.2864 NA PeJP NA NA +PJ049648 CNNNNDF C32H45N11O14S 839.2868 NA PeJP NA NA +PJ049649 GGCNNNDF C32H45N11O14S 839.2869 NA PeJP NA NA +PJ049650 PPCMMMM C33H57N7O8S5 839.2873 NA PeJP NA NA +PJ049651 GCCWWW C41H45N9O7S2 839.2884 NA PeJP NA NA +PJ049652 SCNDDMR C29H49N11O14S2 839.2902 NA PeJP NA NA +PJ049653 GSSCDWW C37H45N9O12S 839.2909 NA PeJP NA NA +PJ049654 PCCCQMR C30H53N11O9S4 839.2911 NA PeJP NA NA +PJ049655 GSSSSDDW C33H45N9O17 839.2934 NA PeJP NA NA +PJ049656 GSNDMMW C34H49N9O12S2 839.2942 NA PeJP NA NA +PJ049657 GGGSDMMW C34H49N9O12S2 839.2943 NA PeJP NA NA +PJ049658 GCCHHHF C35H45N13O8S2 839.2956 NA PeJP NA NA +PJ049659 GSSSNEEM C30H49N9O17S 839.2967 NA PeJP NA NA +PJ049660 GGGSSSEEM C30H49N9O17S 839.2968 NA PeJP NA NA +PJ049661 DDEEFW C38H45N7O15 839.2974 NA PeJP NA NA +PJ049662 GNQEMMM C31H53N9O12S3 839.2976 NA PeJP NA NA +PJ049663 SCNNEHH C31H45N13O13S 839.2981 NA PeJP NA NA +PJ049664 CNMFYY C39H49N7O10S2 839.2983 NA PeJP NA NA +MJ095928 Capensolactone 2 C42H49NO17 839.300049 NA MeJP NA NA +PJ049665 GPDEEMY C35H49N7O15S 839.3008 NA PeJP NA NA +PJ049666 GSSCCNNR C28H49N13O13S2 839.3015 NA PeJP NA NA +PJ049667 PPCDMMF C36H53N7O10S3 839.3016 NA PeJP NA NA +PJ049668 DDMHHW C36H45N11O11S 839.3021 NA PeJP NA NA +PJ049669 PCCCCRR C29H53N13O8S4 839.3023 NA PeJP NA NA +PJ049670 ATEEEMM C32H53N7O15S2 839.3041 NA PeJP NA NA +PJ049671 SNNNNDY C32H45N11O16 839.3046 NA PeJP NA NA +PJ049672 APEMMMM C33H57N7O10S4 839.305 NA PeJP NA NA +PJ049673 GSCCERW C33H49N11O11S2 839.3055 NA PeJP NA NA +PJ049674 GSSSCDER C29H49N11O16S 839.308 NA PeJP NA NA +PJ049675 NNDEYW C37H45N9O14 839.3086 NA PeJP NA NA +PJ049676 GCNEMMR C30H53N11O11S3 839.3088 NA PeJP NA NA +PJ049677 GGGCEMMR C30H53N11O11S3 839.3089 NA PeJP NA NA +PJ049678 SCQMWW C38H49N9O9S2 839.3095 NA PeJP NA NA +PJ049679 SSSNEMW C34H49N9O14S 839.312 NA PeJP NA NA +PJ049680 NQMMMW C35H53N9O9S3 839.3129 NA PeJP NA NA +PJ049681 GSCNHHW C35H45N13O10S 839.3133 NA PeJP NA NA +PJ049682 GGGSCHHW C35H45N13O10S 839.3134 NA PeJP NA NA +PJ049683 SSSSSQEE C30H49N9O19 839.3145 NA PeJP NA NA +PJ049684 SSQQEMM C31H53N9O14S2 839.3154 NA PeJP NA NA +PJ049685 GSSSNDHH C31H45N13O15 839.3158 NA PeJP NA NA +PJ049686 GGGSSSDHH C31H45N13O15 839.3159 NA PeJP NA NA +PJ049687 PDEMYW C39H49N7O12S 839.316 NA PeJP NA NA +PJ049688 PCCQKMM C32H57N9O9S4 839.3162 NA PeJP NA NA +PJ049689 GAPCCKMM C32H57N9O9S4 839.3163 NA PeJP NA NA +PJ049690 GNNMMHH C32H49N13O10S2 839.3167 NA PeJP NA NA +PJ049691 AAEEEEY C35H49N7O17 839.3185 NA PeJP NA NA +PJ049692 SPPDMMY C36H53N7O12S2 839.3194 NA PeJP NA NA +PJ049693 GPNDDHW C36H45N11O13 839.3199 NA PeJP NA NA +PJ049694 GCCDMRR C29H53N13O10S3 839.3201 NA PeJP NA NA +PJ049695 SCCRWW C37H49N11O8S2 839.3207 NA PeJP NA NA +PJ049696 TTTEEEM C32H53N7O17S 839.3219 NA PeJP NA NA +PJ049697 GLEEMMM C33H57N7O12S3 839.3228 NA PeJP NA NA +PJ049698 SSSCDRW C33H49N11O13S 839.3232 NA PeJP NA NA +PJ049699 GGGGGGGQMY C33H49N11O13S 839.3233 NA PeJP NA NA +PJ049700 GNDYWW C41H45N9O11 839.3239 NA PeJP NA NA +PJ049701 CNMMRW C34H53N11O8S3 839.3241 NA PeJP NA NA +PJ049702 SSSSSDDR C29H49N11O18 839.3257 NA PeJP NA NA +PJ049703 SSNDMMR C30H53N11O13S2 839.3266 NA PeJP NA NA +PJ049704 NNNNNNH C30H45N15O14 839.3271 NA PeJP NA NA +PJ049705 GSSSMWW C38H49N9O11S 839.3273 NA PeJP NA NA +PJ049706 PCCCKMR C31H57N11O8S4 839.3275 NA PeJP NA NA +PJ049707 ACCNHHR C31H49N15O9S2 839.3279 NA PeJP NA NA +PJ049708 GCCQHHR C31H49N15O9S2 839.328 NA PeJP NA NA +PJ049709 ASNQEEY C34H49N9O16 839.3297 NA PeJP NA NA +PJ049710 GSSSSTEW C34H49N9O16 839.3298 NA PeJP NA NA +PJ049711 GSTQMMW C35H53N9O11S2 839.3306 NA PeJP NA NA +PJ049712 GNNDHHF C35H45N13O12 839.3311 NA PeJP NA NA +PJ049713 CNFFFY C43H49N7O9S 839.3313 NA PeJP NA NA +PJ049714 GSSSDKEM C31H53N9O16S 839.3331 NA PeJP NA NA +PJ049715 VDEEYW C39H49N7O14 839.3338 NA PeJP NA NA +PJ049716 GNKEMMM C32H57N9O11S3 839.334 NA PeJP NA NA +PJ049717 GCNNNRY C32H49N13O12S 839.3345 NA PeJP NA NA +PJ049718 PEMMFW C40H53N7O9S2 839.3347 NA PeJP NA NA +MJ095929 Sulfurmycin A C43H53NO16 839.336434 NA MeJP NA NA +PJ049719 APTEEMY C36H53N7O14S 839.3372 NA PeJP NA NA +PJ049720 SSCCERR C29H53N13O12S2 839.3378 NA PeJP NA NA +PJ049721 LEMMMW C37H57N7O9S3 839.338 NA PeJP NA NA +PJ049722 CNDFRW C37H49N11O10S 839.3385 NA PeJP NA NA +PJ049723 STLEEMM C33H57N7O14S2 839.3405 NA PeJP NA NA +PJ049724 GSNDERY C33H49N11O15 839.341 NA PeJP NA NA +PJ049725 SPLMMMM C34H61N7O9S4 839.3414 NA PeJP NA NA +PJ049726 GSTCMRW C34H53N11O10S2 839.3419 NA PeJP NA NA +PJ049727 GSEHHHH C34H45N15O11 839.3423 NA PeJP NA NA +PJ049728 GNMFWW C42H49N9O8S 839.3425 NA PeJP NA NA +PJ049729 GSSSSEMR C30H53N11O15S 839.3444 NA PeJP NA NA +PJ049730 SSSSTWW C38H49N9O13 839.345 NA PeJP NA NA +PJ049731 GSQMMMR C31H57N11O10S3 839.3452 NA PeJP NA NA +PJ049732 GGGGCCKKM C31H57N11O10S3 839.3453 NA PeJP NA NA +PJ049733 SSCNHHR C31H49N15O11S 839.3457 NA PeJP NA NA +PJ049734 SCKMWW C39H53N9O8S2 839.3459 NA PeJP NA NA +PJ049735 SSSDKMW C35H53N9O13S 839.3484 NA PeJP NA NA +PJ049736 PPDYYW C43H49N7O11 839.349 NA PeJP NA NA +MJ095930 Virginiamycin S1; 5'-Hydroxy C43H49N7O11 839.349005 NA MeJP NA NA +PJ049737 NKMMMW C36H57N9O8S3 839.3493 NA PeJP NA NA +PJ049738 SSSSSKEE C31H53N9O18 839.3509 NA PeJP NA NA +PJ049739 TTTQQMM C32H57N9O13S2 839.3517 NA PeJP NA NA +PJ049740 SSQKEMM C32H57N9O13S2 839.3518 NA PeJP NA NA +PJ049741 SPNDDHR C32H49N13O14 839.3522 NA PeJP NA NA +PJ049742 GGGGGAAQEH C32H49N13O14 839.3523 NA PeJP NA NA +PJ049743 VEEMFW C40H53N7O11S 839.3524 NA PeJP NA NA +PJ049744 PCCKKMM C33H61N9O8S4 839.3526 NA PeJP NA NA +PJ049745 EMMHHR C33H53N13O9S2 839.3531 NA PeJP NA NA +PJ049746 GTLEEEY C36H53N7O16 839.3549 NA PeJP NA NA +PJ049747 GPLEMMY C37H57N7O11S2 839.3558 NA PeJP NA NA +PJ049748 SNDRYW C37H49N11O12 839.3562 NA PeJP NA NA +PJ049749 GGSDRYW C37H49N11O12 839.3563 NA PeJP NA NA +PJ049750 GSCMMRR C30H57N13O9S3 839.3565 NA PeJP NA NA +PJ049751 VMMHHW C38H53N11O7S2 839.3571 NA PeJP NA NA +PJ049752 SHHHHW C38H45N15O8 839.3576 NA PeJP NA NA +PJ049753 SVLEMMM C34H61N7O11S3 839.3591 NA PeJP NA NA +PJ049754 VVTEMMM C34H61N7O11S3 839.3592 NA PeJP NA NA +PJ049755 SSSSMRW C34H53N11O12S 839.3596 NA PeJP NA NA +PJ049756 GGGGGGGPPPM C34H53N11O12S 839.3597 NA PeJP NA NA +PJ049757 GTQYWW C42H49N9O10 839.3603 NA PeJP NA NA +PJ049758 AAMHHHH C35H49N15O8S 839.361 NA PeJP NA NA +PJ049759 SSSSSTER C30H53N11O17 839.3621 NA PeJP NA NA +PJ049760 SSTQMMR C31H57N11O12S2 839.363 NA PeJP NA NA +PJ049761 GNNNEHR C31H49N15O13 839.3635 NA PeJP NA NA +PJ049762 VNQMYW C39H53N9O10S 839.3636 NA PeJP NA NA +PJ049763 GGGGLMYW C39H53N9O10S 839.3637 NA PeJP NA NA +PJ049764 GCCKHHR C32H53N15O8S2 839.3643 NA PeJP NA NA +PJ049765 SSSSSSLW C35H53N9O15 839.3661 NA PeJP NA NA +PJ049766 GGGTKEEY C35H53N9O15 839.3662 NA PeJP NA NA +PJ049767 GSTKMMW C36H57N9O10S2 839.367 NA PeJP NA NA +PJ049768 NQQQHW C36H49N13O11 839.3675 NA PeJP NA NA +PJ049769 PPMFYW C44H53N7O8S 839.3677 NA PeJP NA NA +PJ049770 GSSTTKEM C32H57N9O15S 839.3695 NA PeJP NA NA +PJ049771 TLEEYW C40H53N7O13 839.3702 NA PeJP NA NA +PJ049772 GDKKMMM C33H61N9O10S3 839.3704 NA PeJP NA NA +PJ049773 SSNKMHH C33H53N13O11S 839.3708 NA PeJP NA NA +PJ049774 CNERRY C33H53N13O11S 839.3709 NA PeJP NA NA +PJ049775 PLMMYW C41H57N7O8S2 839.371 NA PeJP NA NA +PJ049776 SPQHWW C41H49N11O9 839.3715 NA PeJP NA NA +PJ049777 GVLEEMY C37H57N7O13S 839.3735 NA PeJP NA NA +PJ049778 SSTCMRR C30H57N13O11S2 839.3742 NA PeJP NA NA +PJ049779 APLMMMF C38H61N7O8S3 839.3744 NA PeJP NA NA +PJ049780 GQMRYW C38H53N11O9S 839.3749 NA PeJP NA NA +PJ049781 GHFFFW C46H49N9O7 839.3755 NA PeJP NA NA +PJ049782 GSTQERY C34H53N11O14 839.3774 NA PeJP NA NA +PJ049783 ALLMMMM C35H65N7O8S4 839.3778 NA PeJP NA NA +PJ049784 APCCKRY C35H57N11O9S2 839.3782 NA PeJP NA NA +PJ049785 GAQMMFR C35H57N11O9S2 839.3783 NA PeJP NA NA +PJ049786 NNNHRW C35H49N15O10 839.3787 NA PeJP NA NA +PJ049787 ACKFWW C43H53N9O7S 839.3789 NA PeJP NA NA +PJ049788 GSSTTTMR C31H57N11O14S 839.3807 NA PeJP NA NA +PJ049789 GGSSSSCKK C31H57N11O14S 839.3808 NA PeJP NA NA +PJ049790 SQKEYW C39H53N9O12 839.3814 NA PeJP NA NA +PJ049791 GSKMMMR C32H61N11O9S3 839.3816 NA PeJP NA NA +PJ049792 GPCDHRR C32H53N15O10S 839.3821 NA PeJP NA NA +PJ049793 KMMHFF C40H57N9O7S2 839.3823 NA PeJP NA NA +PJ049794 SSTTKMW C36H57N9O12S 839.3848 NA PeJP NA NA +MJ095931 Delavayin C C44H53N7O10 839.38539 NA MeJP NA NA +PJ049795 PVEFYW C44H53N7O10 839.3854 NA PeJP NA NA +PJ049796 GCRRYW C37H53N13O8S 839.3861 NA PeJP NA NA +PJ049797 SSSTTTKE C32H57N9O17 839.3873 NA PeJP NA NA +MJ095932 4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O8-Et, O1,O6,O16,O18-Tetra-Me, N-Et, 3,14,15-tribenzoyl C48H57NO12 839.388076 NA MeJP NA NA +PJ049798 SSKKEMM C33H61N9O12S2 839.3881 NA PeJP NA NA +PJ049799 GSSDRRY C33H53N13O13 839.3886 NA PeJP NA NA +PJ049800 VLEMYW C41H57N7O10S 839.3888 NA PeJP NA NA +PJ049801 CQMFRR C34H57N13O8S2 839.3895 NA PeJP NA NA +PJ049802 SSLLEEY C37H57N7O15 839.3913 NA PeJP NA NA +PJ049803 SPVLMMY C38H61N7O10S2 839.3922 NA PeJP NA NA +PJ049804 STQRYW C38H53N11O11 839.3926 NA PeJP NA NA +PJ049805 GGAALEHW C38H53N11O11 839.3927 NA PeJP NA NA +PJ049806 TTLLMMM C35H65N7O10S3 839.3955 NA PeJP NA NA +PJ049807 NKEMRY C35H57N11O11S 839.396 NA PeJP NA NA +PJ049808 GTKYWW C43H53N9O9 839.3967 NA PeJP NA NA +PJ049809 SSSTTTTR C31H57N11O16 839.3985 NA PeJP NA NA +PJ049810 SSTKMMR C32H61N11O11S2 839.3994 NA PeJP NA NA +PJ049811 GNNDKHR C32H53N15O12 839.3998 NA PeJP NA NA +PJ049812 NEEHRR C32H53N15O12 839.3999 NA PeJP NA NA +PJ049813 VNKMYW C40H57N9O9S 839.4 NA PeJP NA NA +PJ049814 PPFFFW C48H53N7O7 839.4007 NA PeJP NA NA +PJ049815 GSKKEEY C36H57N9O14 839.4025 NA PeJP NA NA +PJ049816 GGAAPPLEE C36H57N9O14 839.4026 NA PeJP NA NA +PJ049817 APCKKMY C37H61N9O9S2 839.4034 NA PeJP NA NA +PJ049818 VNEHRW C37H53N13O10 839.4039 NA PeJP NA NA +PJ049819 PLMFFW C45H57N7O7S 839.4041 NA PeJP NA NA +PJ049820 SSSSTLKM C33H61N9O14S 839.4059 NA PeJP NA NA +PJ049821 SPPTLYY C41H57N7O12 839.4065 NA PeJP NA NA +PJ049822 GPVLEYY C41H57N7O12 839.4066 NA PeJP NA NA +PJ049823 ATKKMMM C34H65N9O9S3 839.4068 NA PeJP NA NA +PJ049824 SQMRRY C34H57N13O10S 839.4072 NA PeJP NA NA +PJ049825 PPPCDRR C34H57N13O10S 839.4073 NA PeJP NA NA +PJ049826 LLMMFW C42H61N7O7S2 839.4074 NA PeJP NA NA +PJ049827 SPKHWW C42H53N11O8 839.4079 NA PeJP NA NA +PJ049828 ATLLEMY C38H61N7O12S 839.4099 NA PeJP NA NA +PJ049829 GSNNHRR C31H53N17O11 839.4111 NA PeJP NA NA +PJ049830 GKMRYW C39H57N11O8S 839.4113 NA PeJP NA NA +PJ049831 GSTKERY C35H57N11O13 839.4138 NA PeJP NA NA +PJ049832 QKMMFR C36H61N11O8S2 839.4146 NA PeJP NA NA +PJ049833 GEHRRW C36H53N15O9 839.4151 NA PeJP NA NA +PJ049834 SKKEYW C40H57N9O11 839.4178 NA PeJP NA NA +PJ049835 CCCKKKK C33H65N11O8S3 839.418 NA PeJP NA NA +PJ049836 SCRRRY C33H57N15O9S 839.4185 NA PeJP NA NA +PJ049837 GVHRWW C41H53N13O7 839.4191 NA PeJP NA NA +PJ049838 SSPKKMY C37H61N9O11S 839.4211 NA PeJP NA NA +PJ049839 AAKKEMY C37H61N9O11S 839.4212 NA PeJP NA NA +PJ049840 PVLYYW C45H57N7O9 839.4218 NA PeJP NA NA +PJ049841 LMHHFR C38H57N13O7S 839.4225 NA PeJP NA NA +PJ049842 STTTTTTK C33H61N9O16 839.4236 NA PeJP NA NA +PJ049843 TTTKKMM C34H65N9O11S2 839.4245 NA PeJP NA NA +PJ049844 GSTTRRY C34H57N13O12 839.425 NA PeJP NA NA +PJ049845 GPLLMFY C42H61N7O9S 839.4252 NA PeJP NA NA +PJ049846 CKMFRR C35H61N13O7S2 839.4259 NA PeJP NA NA +PJ049847 TTTLLEY C38H61N7O14 839.4277 NA PeJP NA NA +PJ049848 AVLLMMY C39H65N7O9S2 839.4285 NA PeJP NA NA +PJ049849 GLLLMMY C39H65N7O9S2 839.4286 NA PeJP NA NA +PJ049850 STKRYW C39H57N11O10 839.429 NA PeJP NA NA +PJ049851 HRRWW C40H53N15O6 839.4304 NA PeJP NA NA +PJ049852 DKKMRY C36H61N11O10S 839.4324 NA PeJP NA NA +PJ049853 AAPPLWW C44H57N9O8 839.433 NA PeJP NA NA +PJ049854 GPPVVWW C44H57N9O8 839.4331 NA PeJP NA NA +PJ049855 DKEHRR C33H57N15O11 839.4362 NA PeJP NA NA +PJ049856 GGGGSPPRR C33H57N15O11 839.4363 NA PeJP NA NA +PJ049857 CLKKYW C41H61N9O8S 839.4364 NA PeJP NA NA +PJ049858 ATTKKEY C37H61N9O13 839.4389 NA PeJP NA NA +PJ049859 GVKKMMF C38H65N9O8S2 839.4398 NA PeJP NA NA +PJ049860 PPERRW C38H57N13O9 839.4403 NA PeJP NA NA +PJ049861 APTLLYY C42H61N7O11 839.4429 NA PeJP NA NA +PJ049862 SKMRRY C35H61N13O9S 839.4436 NA PeJP NA NA +PJ049863 PPVRWW C43H57N11O7 839.4443 NA PeJP NA NA +PJ049864 STLLLMY C39H65N7O11S 839.4463 NA PeJP NA NA +PJ049865 SEHRRR C32H57N17O10 839.4475 NA PeJP NA NA +PJ049866 SSSLKRY C36H61N11O12 839.4501 NA PeJP NA NA +PJ049867 PPVDKER C36H61N11O12 839.4502 NA PeJP NA NA +PJ049868 KKMMFR C37H65N11O7S2 839.451 NA PeJP NA NA +PJ049869 SVHRRW C37H57N15O8 839.4515 NA PeJP NA NA +PJ049870 APPLKEW C41H61N9O10 839.4542 NA PeJP NA NA +PJ049871 LQMHRR C34H61N15O8S 839.4549 NA PeJP NA NA +PJ049872 GTLKKMY C38H65N9O10S 839.4575 NA PeJP NA NA +PJ049873 VVLLEMH C38H65N9O10S 839.4576 NA PeJP NA NA +PJ049874 VLLFYW C46H61N7O8 839.4582 NA PeJP NA NA +PJ049875 SPPVERR C35H61N13O11 839.4614 NA PeJP NA NA +PJ049876 GLLLMFF C43H65N7O8S 839.4616 NA PeJP NA NA +PJ049877 APPTLRW C40H61N11O9 839.4654 NA PeJP NA NA +PJ049878 CLHRRR C33H61N17O7S 839.4661 NA PeJP NA NA +MJ095933 Platenomycin W1 C43H69NO15 839.46672 NA MeJP NA NA +PJ049879 PPVLQMR C37H65N11O9S 839.4688 NA PeJP NA NA +PJ049880 GTTLHRR C34H61N15O10 839.4726 NA PeJP NA NA +PJ049881 STTLKKY C38H65N9O12 839.4753 NA PeJP NA NA +PJ049882 TLKHRW C39H61N13O8 839.4766 NA PeJP NA NA +PJ049883 GGKKKHW C39H61N13O8 839.4767 NA PeJP NA NA +PJ049884 GVLLLYY C43H65N7O10 839.4793 NA PeJP NA NA +PJ049885 APPLMRR C36H65N13O8S 839.48 NA PeJP NA NA +PJ049886 PQQRRR C33H61N17O9 839.4839 NA PeJP NA NA +PJ049887 PPTLKER C37H65N11O11 839.4865 NA PeJP NA NA +PJ049888 GGPVLLER C37H65N11O11 839.4866 NA PeJP NA NA +PJ049889 PKHFRR C38H61N15O7 839.4879 NA PeJP NA NA +PJ049890 SPPLLKW C42H65N9O9 839.4906 NA PeJP NA NA +PJ049891 LKMHRR C35H65N15O7S 839.4913 NA PeJP NA NA +PJ049892 TLLLLMH C39H69N9O9S 839.4939 NA PeJP NA NA +PJ049893 GPLLERR C36H65N13O10 839.4978 NA PeJP NA NA +PJ049894 GPVLLRW C41H65N11O8 839.5018 NA PeJP NA NA +MJ095934 Solacongestidine; Glycoside (2) C44H73NO14 839.503106 NA MeJP NA NA +MJ095935 Viranamycin B C44H73NO14 839.503106 NA MeJP NA NA +PJ049895 PPVLKMR C38H69N11O8S 839.5052 NA PeJP NA NA +PJ049896 GPVQKRR C35H65N15O9 839.509 NA PeJP NA NA +PJ049897 PLLLQKE C39H69N9O11 839.5117 NA PeJP NA NA +PJ049898 PLLRRW C40H65N13O7 839.513 NA PeJP NA NA +PJ049899 PQKRRR C34H65N17O8 839.5202 NA PeJP NA NA +PJ049900 GAPKRRR C34H65N17O8 839.5203 NA PeJP NA NA +PJ049901 PVVLKER C38H69N11O10 839.5229 NA PeJP NA NA +PJ049902 APLLLKW C43H69N9O8 839.5269 NA PeJP NA NA +PJ049903 PVVVLKW C43H69N9O8 839.527 NA PeJP NA NA +PJ049904 SPVLLRR C37H69N13O9 839.5342 NA PeJP NA NA +PJ049905 GPVKKRR C36H69N15O8 839.5454 NA PeJP NA NA +HMDB09605 PE(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C49H78NO8P 839.546509 NA HMDB2010 NA NA +HMDB09637 PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C49H78NO8P 839.546509 NA HMDB2010 NA NA +HMDB09638 PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C49H78NO8P 839.546509 NA HMDB2010 NA NA +HMDB09670 PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C49H78NO8P 839.546509 NA HMDB2010 NA NA +HMDB09671 PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C49H78NO8P 839.546509 NA HMDB2010 NA NA +HMDB09702 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) C49H78NO8P 839.546509 NA HMDB2010 NA NA +PJ049906 PLLLKKE C40H73N9O10 839.5481 NA PeJP NA NA +PJ049907 PKKRRR C35H69N17O7 839.5566 NA PeJP NA NA +PJ049908 PTLLLKR C39H73N11O9 839.5593 NA PeJP NA NA +EUR688 PC(36:5) [M-H+acetate]- C44H78NO8P 839.567607 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR983 PC 36:5 [M-H+acetate]- C44H78NO8P 839.567607 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR688 PC(36:5) [M-H+acetate]- C44H78NO8P 839.567607 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR983 PC 36:5 [M-H+acetate]- C44H78NO8P 839.567607 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR688 PC(36:5) [M-H+acetate]- C44H78NO8P 839.567607 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR983 PC 36:5 [M-H+acetate]- C44H78NO8P 839.567607 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR688 PC(36:5) [M-H+acetate]- C44H78NO8P 839.567607 masses lipides attendues Inhousejuil11 NA NA +EUR983 PC 36:5 [M-H+acetate]- C44H78NO8P 839.567607 masses lipides attendues Inhousejuil11 NA NA +PJ049909 APLKKKR C38H73N13O8 839.5705 NA PeJP NA NA +PJ049910 GLLLLRR C38H73N13O8 839.5706 NA PeJP NA NA +PJ049911 LLLLLQK C41H77N9O9 839.5845 NA PeJP NA NA +PJ049912 VVLLLKR C40H77N11O8 839.5957 NA PeJP NA NA +PJ049913 LLLLLKK C42H81N9O8 839.6208 NA PeJP NA NA +HMDB08086 PC(18:1(11Z)/22:2(13Z,16Z)) C48H90NO8P 839.640381 NA HMDB2010 NA NA +HMDB08119 PC(18:1(9Z)/22:2(13Z,16Z)) C48H90NO8P 839.640381 NA HMDB2010 NA NA +HMDB08151 PC(18:2(9Z,12Z)/22:1(13Z)) C48H90NO8P 839.640381 NA HMDB2010 NA NA +HMDB08183 PC(18:3(6Z,9Z,12Z)/22:0) C48H90NO8P 839.640381 NA HMDB2010 NA NA +HMDB08216 PC(18:3(9Z,12Z,15Z)/22:0) C48H90NO8P 839.640381 NA HMDB2010 NA NA +HMDB08277 PC(20:0/20:3(5Z,8Z,11Z)) C48H90NO8P 839.640381 NA HMDB2010 NA NA +HMDB08278 PC(20:0/20:3(8Z,11Z,14Z)) C48H90NO8P 839.640381 NA HMDB2010 NA NA +HMDB08309 PC(20:1(11Z)/20:2(11Z,14Z)) C48H90NO8P 839.640381 NA HMDB2010 NA NA +HMDB08341 PC(20:2(11Z,14Z)/20:1(11Z)) C48H90NO8P 839.640381 NA HMDB2010 NA NA +HMDB08373 PC(20:3(5Z,8Z,11Z)/20:0) C48H90NO8P 839.640381 NA HMDB2010 NA NA +HMDB08406 PC(20:3(8Z,11Z,14Z)/20:0) C48H90NO8P 839.640381 NA HMDB2010 NA NA +HMDB08534 PC(22:0/18:3(6Z,9Z,12Z)) C48H90NO8P 839.640381 NA HMDB2010 NA NA +HMDB08535 PC(22:0/18:3(9Z,12Z,15Z)) C48H90NO8P 839.640381 NA HMDB2010 NA NA +HMDB08565 PC(22:1(13Z)/18:2(9Z,12Z)) C48H90NO8P 839.640381 NA HMDB2010 NA NA +HMDB08596 PC(22:2(13Z,16Z)/18:1(11Z)) C48H90NO8P 839.640381 NA HMDB2010 NA NA +HMDB08597 PC(22:2(13Z,16Z)/18:1(9Z)) C48H90NO8P 839.640381 NA HMDB2010 NA NA +HMDB04977 Glucosylceramide (d18:1/26:0) C50H97NO8 839.721436 NA HMDB2010 NA NA +HMDB04977 Glucosylceramide (d18:1/26:0) C50H97NO8 839.72144 http://www.hmdb.ca/metabolites/HMDB04977 HMDB NA NA +HMDB04977 Glucosylceramide (d18:1/26:0) C50H97NO8 839.72144 HMDB04977 PFEM_hmdb_metabocards_official NA NA +3115 adrenocorticotropin hormone fr,:1-14 SYSMEHFRWGKPVG 839.8857 MH2+ Inhouse_peptide NA peptide +7418 coeliac toxic peptide QLQPFPQPQLPYPQ 839.9245 MH2+ Inhouse_peptide NA peptide +PJ049914 TCCCCCCC C25H44N8O10S7 840.1226 NA PeJP NA NA +PJ049915 GCCCCCCF C29H44N8O9S6 840.1556 NA PeJP NA NA +PJ049916 GSCCCCCY C29H44N8O11S5 840.1733 NA PeJP NA NA +MJ095936 1,5-Di-O-[3,4-bis(3,4-dihydroxyphenyl)-1,2-cyclobutanedicarbonyl]-3,4-di-O-caffeoylquinic acid C43H36O18 840.190164 NA MeJP NA NA +MJ095937 Tetra-O-caffeoylquinic acid C43H36O18 840.190164 NA MeJP NA NA +C10500 1,3,4,5-Tetracaffeoylquinic acid C43H36O18 840.1902 NA KEGG NA NA +PJ049917 GSCCCCEH C28H44N10O12S4 840.2023 NA PeJP NA NA +PJ049918 GSCDDDDD C28H40N8O20S 840.208 NA PeJP NA NA +PJ049919 GPCCCDDE C29H44N8O15S3 840.2089 NA PeJP NA NA +PJ049920 SCCCCHW C32H44N10O9S4 840.2176 NA PeJP NA NA +PJ049921 SSSCCCDH C28H44N10O14S3 840.2201 NA PeJP NA NA +PJ049922 CCCNMMH C29H48N10O9S5 840.221 NA PeJP NA NA +PJ049923 PCCCDDW C33H44N8O12S3 840.2241 NA PeJP NA NA +PJ049924 CNDDDEM C29H44N8O17S2 840.2266 NA PeJP NA NA +PJ049925 SPPCCCCE C30H48N8O12S4 840.2275 NA PeJP NA NA +PJ049926 GCCCNNNN C27H44N12O13S3 840.2313 NA PeJP NA NA +PJ049927 GGGGGGGCCCN C27H44N12O13S3 840.2314 NA PeJP NA NA +PJ049928 CCCNDHF C32H44N10O11S3 840.2354 NA PeJP NA NA +PJ049929 CCDDDDR C28H44N10O16S2 840.2379 NA PeJP NA NA +PJ049930 GSTCCCMH C29H48N10O11S4 840.2387 NA PeJP NA NA +MJ095938 ?-Viniferin; 6'-O-?-D-Glucopyranoside C48H40O14 840.241805 NA MeJP NA NA +PJ049931 GCDDDMW C33H44N8O14S2 840.2419 NA PeJP NA NA +PJ049932 GSSDDDDM C29H44N8O19S 840.2444 NA PeJP NA NA +PJ049933 GSPCCDEM C30H48N8O14S3 840.2453 NA PeJP NA NA +PJ049934 GPPCCCMM C31H52N8O9S5 840.2461 NA PeJP NA NA +PJ049935 SCCNNDW C32H44N10O13S2 840.2531 NA PeJP NA NA +PJ049936 SSSCNNDD C28H44N10O18S 840.2556 NA PeJP NA NA +PJ049937 SSSSCCMH C29H48N10O13S3 840.2565 NA PeJP NA NA +PJ049938 CCDEWW C37H44N8O11S2 840.2571 NA PeJP NA NA +C06784 Pradimicin A C40H44N2O18 840.2589 NA KEGG NA NA +MJ095939 Pradimicin A C40H44N2O18 840.258912 NA MeJP NA NA +PJ049939 SSCDDEW C33H44N8O16S 840.2596 NA PeJP NA NA +PJ049940 SPCCDMW C34H48N8O11S3 840.2605 NA PeJP NA NA +PJ049941 SSSSDDDE C29H44N8O21 840.2621 NA PeJP NA NA +PJ049942 SNDDEMM C30H48N8O16S2 840.263 NA PeJP NA NA +PJ049943 CDDYYY C38H44N6O14S 840.2636 NA PeJP NA NA +PJ049944 PCNDMMM C31H52N8O11S4 840.2639 NA PeJP NA NA +PJ049945 CCCNNER C28H48N12O12S3 840.2677 NA PeJP NA NA +PJ049946 CMMMYY C36H52N6O9S4 840.2679 NA PeJP NA NA +PJ049947 CNNNDDF C32H44N10O15S 840.2709 NA PeJP NA NA +PJ049948 GCCNQMW C33H48N10O10S3 840.2717 NA PeJP NA NA +PJ049949 GGGGACCMW C33H48N10O10S3 840.2718 NA PeJP NA NA +PJ049950 SCDDDMR C29H48N10O15S2 840.2742 NA PeJP NA NA +PJ049951 GGGGGSSCEM C29H48N10O15S2 840.2743 NA PeJP NA NA +MJ095940 Antibiotic A 38533; Antibiotic A 38533A1 C37H44N8O13S 840.274854 NA MeJP NA NA +PJ049952 PCCCEMR C30H52N10O10S4 840.2751 NA PeJP NA NA +PJ049953 CCNNNHH C30H44N14O11S2 840.2756 NA PeJP NA NA +PJ049954 GNDDEEY C33H44N8O18 840.2774 NA PeJP NA NA +PJ049955 GSDDMMW C34H48N8O13S2 840.2783 NA PeJP NA NA +PJ049956 APCCMMW C35H52N8O8S4 840.2791 NA PeJP NA NA +PJ049957 GSSSDEEM C30H48N8O18S 840.2808 NA PeJP NA NA +PJ049958 GNEEMMM C31H52N8O13S3 840.2816 NA PeJP NA NA +PJ049959 SCNDEHH C31H44N12O14S 840.2821 NA PeJP NA NA +PJ049960 CDMFYY C39H48N6O11S2 840.2823 NA PeJP NA NA +PJ049961 GCCCNRW C32H48N12O9S3 840.283 NA PeJP NA NA +PJ049962 GSSCCNDR C28H48N12O14S2 840.2855 NA PeJP NA NA +PJ049963 SNNNDDY C32H44N10O17 840.2886 NA PeJP NA NA +PJ049964 SSCNNMW C33H48N10O12S2 840.2895 NA PeJP NA NA +PJ049965 SSSSNNDM C29H48N10O17S 840.292 NA PeJP NA NA +PJ049966 NDDEYW C37H44N8O15 840.2926 NA PeJP NA NA +PJ049967 GGDDEYW C37H44N8O15 840.2927 NA PeJP NA NA +PJ049968 GCDEMMR C30H52N10O12S3 840.2929 NA PeJP NA NA +PJ049969 SCEMWW C38H48N8O10S2 840.2935 NA PeJP NA NA +PJ049970 SSSDEMW C34H48N8O15S 840.296 NA PeJP NA NA +PJ049971 NEMMMW C35H52N8O10S3 840.2969 NA PeJP NA NA +PJ049972 GSCDHHW C35H44N12O11S 840.2974 NA PeJP NA NA +PJ049973 SSSSSEEE C30H48N8O20 840.2985 NA PeJP NA NA +PJ049974 SSQEEMM C31H52N8O15S2 840.2994 NA PeJP NA NA +PJ049975 GSSSDDHH C31H44N12O16 840.2999 NA PeJP NA NA +PJ049976 SDMYYY C39H48N6O13S 840.3 NA PeJP NA NA +PJ049977 PTCQMMM C32H56N8O10S4 840.3002 NA PeJP NA NA +PJ049978 SPNMMMM C32H56N8O10S4 840.3003 NA PeJP NA NA +PJ049979 GNDMMHH C32H48N12O11S2 840.3007 NA PeJP NA NA +PJ049980 GGGGGPPCCH C32H48N12O11S2 840.3008 NA PeJP NA NA +PJ049981 CMMFFY C40H52N6O8S3 840.3009 NA PeJP NA NA +C13254 Mebhydrolin napadisilate C4H10O 840.3015 NA KEGG NA NA +C13255 Transferred to D01787 C4H10O 840.3015 NA KEGG NA NA +C13256 Transferred to D01788 C4H10O 840.3015 NA KEGG NA NA +C13257 Transferred to D01789 C4H10O 840.3015 NA KEGG NA NA +C13258 Transferred to D01790 C4H10O 840.3015 NA KEGG NA NA +C13259 Transferred to D01791 C4H10O 840.3015 NA KEGG NA NA +C13260 Transferred to D01792 C4H10O 840.3015 NA KEGG NA NA +C13261 Transferred to D01793 C4H10O 840.3015 NA KEGG NA NA +C13262 Transferred to D01794 C4H10O 840.3015 NA KEGG NA NA +C13263 Transferred to D01795 C4H10O 840.3015 NA KEGG NA NA +C13264 Transferred to D01796 C4H10O 840.3015 NA KEGG NA NA +C13265 Transferred to D01797 C4H10O 840.3015 NA KEGG NA NA +C13266 Transferred to D01798 C4H10O 840.3015 NA KEGG NA NA +C13267 Transferred to D01799 C4H10O 840.3015 NA KEGG NA NA +C13268 Transferred to D01800 C4H10O 840.3015 NA KEGG NA NA +PJ049982 GPDDDHW C36H44N10O14 840.3039 NA PeJP NA NA +PJ049983 SCCNQMR C29H52N12O11S3 840.3041 NA PeJP NA NA +PJ049984 ACCNHFF C37H48N10O9S2 840.3047 NA PeJP NA NA +PJ049985 GCCQHFF C37H48N10O9S2 840.3048 NA PeJP NA NA +PJ049986 GSSSSCQW C33H48N10O14S 840.3072 NA PeJP NA NA +PJ049987 GGGSSSTCW C33H48N10O14S 840.3073 NA PeJP NA NA +PJ049988 GDDYWW C41H44N8O12 840.3079 NA PeJP NA NA +PJ049989 CDMMRW C34H52N10O9S3 840.3081 NA PeJP NA NA +PJ049990 PCCFWW C42H48N8O7S2 840.3088 NA PeJP NA NA +PJ049991 GSSSSSSNE C29H48N10O19 840.3097 NA PeJP NA NA +PJ049992 GGGSSSSSSE C29H48N10O19 840.3098 NA PeJP NA NA +PJ049993 SSDDMMR C30H52N10O14S2 840.3106 NA PeJP NA NA +PJ049994 NNNNNDH C30H44N14O15 840.3111 NA PeJP NA NA +C12007 Mureidomycin A C38H48N8O12S 840.3112 NA KEGG NA NA +MJ095941 Mureidomycin A C38H48N8O12S 840.311239 NA MeJP NA NA +PJ049995 GSPCEYW C38H48N8O12S 840.3113 NA PeJP NA NA +PJ049996 PTCCMMR C31H56N10O9S4 840.3115 NA PeJP NA NA +PJ049997 GCCEHHR C31H48N14O10S2 840.312 NA PeJP NA NA +PJ049998 GMMMWW C39H52N8O7S3 840.3121 NA PeJP NA NA +PJ049999 GSQEEEY C34H48N8O17 840.3138 NA PeJP NA NA +MJ095942 Albanin H C50H48O12 840.314577 NA MeJP NA NA +MJ095943 Kuwanon M C50H48O12 840.314577 NA MeJP NA NA +PJ050000 GSTEMMW C35H52N8O12S2 840.3146 NA PeJP NA NA +PJ050001 GGGPEMMY C35H52N8O12S2 840.3147 NA PeJP NA NA +PJ050002 GNDDHHF C35H44N12O13 840.3151 NA PeJP NA NA +PJ050003 CDFFFY C43H48N6O10S 840.3153 NA PeJP NA NA +MJ095944 Pyrrolosporin A C44H54Cl2N2O10 840.315551 NA MeJP NA NA +PJ050004 CQMHHW C36H48N12O8S2 840.316 NA PeJP NA NA +PJ050005 GSSTTEEM C31H52N8O17S 840.3171 NA PeJP NA NA +PJ050006 GDKEMMM C32H56N8O12S3 840.318 NA PeJP NA NA +PJ050007 GCNNDRY C32H48N12O13S 840.3185 NA PeJP NA NA +PJ050008 AMMYYY C40H52N6O10S2 840.3187 NA PeJP NA NA +PJ050009 GCNHHHH C33H44N16O9S 840.3198 NA PeJP NA NA +PJ050010 GSSSCNMR C29H52N12O13S2 840.3219 NA PeJP NA NA +PJ050011 NNNMYW C37H48N10O11S 840.3225 NA PeJP NA NA +PJ050012 SSSSSSNW C33H48N10O16 840.325 NA PeJP NA NA +PJ050013 SSCCQKW C34H52N10O11S2 840.3259 NA PeJP NA NA +PJ050014 SPCYWW C42H48N8O9S 840.3265 NA PeJP NA NA +PJ050015 CCHHRW C35H48N14O7S2 840.3272 NA PeJP NA NA +PJ050016 SSSSSQQM C30H52N10O16S 840.3284 NA PeJP NA NA +PJ050017 SQEEYW C38H48N8O14 840.329 NA PeJP NA NA +PJ050018 ASDMMMR C31H56N10O11S3 840.3292 NA PeJP NA NA +PJ050019 GSEMMMR C31H56N10O11S3 840.3293 NA PeJP NA NA +PJ050020 SSCDHHR C31H48N14O12S 840.3297 NA PeJP NA NA +PJ050021 STMMWW C39H52N8O9S2 840.3299 NA PeJP NA NA +MJ095945 Aclacinomycin Y; 12-Hydroxy, 2C-amino C42H52N2O16 840.331683 NA MeJP NA NA +MJ095946 Rudolfomycin C42H52N2O16 840.331683 NA MeJP NA NA +PJ050022 SSTTEMW C35H52N8O14S 840.3324 NA PeJP NA NA +PJ050023 GEFYYY C43H48N6O12 840.333 NA PeJP NA NA +PJ050024 DKMMMW C36H56N8O9S3 840.3333 NA PeJP NA NA +PJ050025 GSSMHHW C36H48N12O10S 840.3337 NA PeJP NA NA +PJ050026 GGGPCQHW C36H48N12O10S 840.3338 NA PeJP NA NA +PJ050027 CMFFFF C44H52N6O7S2 840.3339 NA PeJP NA NA +PJ050028 SSSTTTEE C31H52N8O19 840.3349 NA PeJP NA NA +PJ050029 SSKEEMM C32H56N8O14S2 840.3358 NA PeJP NA NA +PJ050030 SPDDDHR C32H48N12O15 840.3362 NA PeJP NA NA +PJ050031 GGGQQEEH C32H48N12O15 840.3363 NA PeJP NA NA +PJ050032 TTMYYY C40H52N6O12S 840.3364 NA PeJP NA NA +PJ050033 GLQMMMM C33H60N8O9S4 840.3366 NA PeJP NA NA +PJ050034 GGALMMMM C33H60N8O9S4 840.3367 NA PeJP NA NA +PJ050035 GCNNMFR C33H52N12O10S2 840.3371 NA PeJP NA NA +PJ050036 SSSSSCQR C29H52N12O15S 840.3396 NA PeJP NA NA +PJ050037 SDDRYW C37H48N10O13 840.3403 NA PeJP NA NA +PJ050038 SCCNKMR C30H56N12O10S3 840.3405 NA PeJP NA NA +PJ050039 APPCMHW C38H52N10O8S2 840.3411 NA PeJP NA NA +PJ050040 GSSSSCKW C34H52N10O13S 840.3436 NA PeJP NA NA +PJ050041 GGGGGDKMY C34H52N10O13S 840.3437 NA PeJP NA NA +PJ050042 GTEYWW C42H48N8O11 840.3443 NA PeJP NA NA +PJ050043 SMMMRW C35H56N10O8S3 840.3445 NA PeJP NA NA +PJ050044 PPCNHHH C35H48N14O9S 840.345 NA PeJP NA NA +PJ050045 GSSSSSSDK C30H52N10O18 840.3461 NA PeJP NA NA +PJ050046 SSTEMMR C31H56N10O13S2 840.347 NA PeJP NA NA +PJ050047 GNNDEHR C31H48N14O14 840.3475 NA PeJP NA NA +PJ050048 APTTCYW C39H52N8O11S 840.3476 NA PeJP NA NA +PJ050049 VNEMYW C39H52N8O11S 840.3477 NA PeJP NA NA +PJ050050 AAMMMMR C32H60N10O8S4 840.3479 NA PeJP NA NA +PJ050051 FYYYW C47H48N6O9 840.3483 NA PeJP NA NA +PJ050052 GTCMHHR C32H52N14O9S2 840.3484 NA PeJP NA NA +PJ050053 ATTQEEY C35H52N8O16 840.3501 NA PeJP NA NA +PJ050054 GSKEEEY C35H52N8O16 840.3502 NA PeJP NA NA +PJ050055 SSSLMMW C36H56N8O11S2 840.351 NA PeJP NA NA +PJ050056 SSSTHHW C36H48N12O12 840.3515 NA PeJP NA NA +PJ050057 AMFFYY C44H52N6O9S 840.3517 NA PeJP NA NA +PJ050058 CKMHHW C37H52N12O7S2 840.3524 NA PeJP NA NA +PJ050059 SSSSTLEM C32H56N8O16S 840.3535 NA PeJP NA NA +PJ050060 ATKEMMM C33H60N8O11S3 840.3544 NA PeJP NA NA +PJ050061 CDERRY C33H52N12O12S 840.3549 NA PeJP NA NA +PJ050062 SPEHWW C41H48N10O10 840.3555 NA PeJP NA NA +PJ050063 GSSSSSSSR C29H52N12O17 840.3574 NA PeJP NA NA +PJ050064 GSSTCCKR C30H56N12O12S2 840.3582 NA PeJP NA NA +PJ050065 GEMRYW C38H52N10O10S 840.3589 NA PeJP NA NA +PJ050066 TYWWW C46H48N8O8 840.3595 NA PeJP NA NA +PJ050067 GSTEERY C34H52N10O15 840.3614 NA PeJP NA NA +PJ050068 SSCCKKW C35H56N10O10S2 840.3623 NA PeJP NA NA +3131 ester transferases inhibitor WRMWY 840.3624 celiac toxic Inhouse_peptide NA peptide +PJ050069 NNDHRW C35H48N14O11 840.3627 NA PeJP NA NA +PJ050070 GGGGDHRW C35H48N14O11 840.3628 NA PeJP NA NA +PJ050071 GVMYWW C43H52N8O8S 840.3629 NA PeJP NA NA +PJ050072 HHHHHH C36H44N18O7 840.3641 NA PeJP NA NA +PJ050073 SSSSSQKM C31H56N10O15S 840.3648 NA PeJP NA NA +PJ050074 SKEEYW C39H52N8O13 840.3654 NA PeJP NA NA +PJ050075 ATTMMMR C32H60N10O10S3 840.3656 NA PeJP NA NA +PJ050076 SSSMHHR C32H52N14O11S 840.3661 NA PeJP NA NA +PJ050077 VQMMFW C40H56N8O8S2 840.3663 NA PeJP NA NA +PJ050078 GQQHWW C40H48N12O9 840.3668 NA PeJP NA NA +PJ050079 TTTTTMW C36H56N8O13S 840.3688 NA PeJP NA NA +PJ050080 GLYYYY C44H52N6O11 840.3694 NA PeJP NA NA +PJ050081 GPKMMMF C37H60N8O8S3 840.3697 NA PeJP NA NA +PJ050082 PDMHRW C37H52N12O9S 840.3701 NA PeJP NA NA +PJ050083 STTTTTTE C32H56N8O18 840.3713 NA PeJP NA NA +PJ050084 TTTKEMM C33H60N8O13S2 840.3722 NA PeJP NA NA +7905 peptide from bovine b-lactoglobulin WYSLAMA 840.3724 antioxidative Inhouse_peptide NA peptide +PJ050085 SSSNQRY C33H52N12O14 840.3726 NA PeJP NA NA +PJ050086 GGGGPPDER C33H52N12O14 840.3727 NA PeJP NA NA +PJ050087 GLKMMMM C34H64N8O8S4 840.373 NA PeJP NA NA +PJ050088 CEMFRR C34H56N12O9S2 840.3735 NA PeJP NA NA +PJ050089 MRYWW C42H52N10O7S 840.3741 NA PeJP NA NA +PJ050090 PCLHWW C42H52N10O7S 840.3742 NA PeJP NA NA +PJ050091 SSSSSCKR C30H56N12O14S 840.376 NA PeJP NA NA +PJ050092 STERYW C38H52N10O12 840.3766 NA PeJP NA NA +PJ050093 GGGSSKYW C38H52N10O12 840.3767 NA PeJP NA NA +PJ050094 TCCCKKR C31H60N12O9S3 840.3769 NA PeJP NA NA +PJ050095 AMMFRW C39H56N10O7S2 840.3775 NA PeJP NA NA +MJ095947 3,6,8,14,16-Pentahydroxybufa-20,22-dienolide, 3-O-[6-Deoxy-3-O-methyl-?-L-glucopyranosyl-(1r4)-?-D-glucopyranoside], 6,16-di-Ac C41H60O18 840.377965 NA MeJP NA NA +PJ050096 PQHHHW C39H48N14O8 840.378 NA PeJP NA NA +PJ050097 DKEMRY C35H56N10O12S 840.38 NA PeJP NA NA +PJ050098 SSLYWW C43H52N8O10 840.3807 NA PeJP NA NA +PJ050099 NMHHFR C36H52N14O8S 840.3814 NA PeJP NA NA +PJ050100 GSSSSSTTK C31H56N10O17 840.3825 NA PeJP NA NA +PJ050101 TTTTMMR C32H60N10O12S2 840.3834 NA PeJP NA NA +PJ050102 DEEHRR C32H52N14O13 840.3839 NA PeJP NA NA +PJ050103 VDKMYW C40H56N8O10S 840.384 NA PeJP NA NA +PJ050104 PPPVDMW C40H56N8O10S 840.3841 NA PeJP NA NA +PJ050105 AFFFFY C48H52N6O8 840.3847 NA PeJP NA NA +PJ050106 ATTKEEY C36H56N8O15 840.3865 NA PeJP NA NA +PJ050107 PPLQEEE C36H56N8O15 840.3866 NA PeJP NA NA +PJ050108 APTKMMY C37H60N8O10S2 840.3874 NA PeJP NA NA +PJ050109 VDEHRW C37H52N12O11 840.3879 NA PeJP NA NA +PJ050110 SSTTTTLM C33H60N8O15S 840.3899 NA PeJP NA NA +PJ050111 STLKMMM C34H64N8O10S3 840.3908 NA PeJP NA NA +PJ050112 SEMRRY C34H56N12O11S 840.3912 NA PeJP NA NA +PJ050113 TDMRRY C34H56N12O11S 840.3913 NA PeJP NA NA +PJ050114 ALEHWW C42H52N10O9 840.3919 NA PeJP NA NA +PJ050115 GSNDHRR C31H52N16O12 840.3951 NA PeJP NA NA +PJ050116 SVMRYW C39H56N10O9S 840.3953 NA PeJP NA NA +PJ050117 GVFFWW C47H52N8O7 840.3959 NA PeJP NA NA +PJ050118 SSSLERY C35H56N10O14 840.3978 NA PeJP NA NA +PJ050119 LQMMRY C36H60N10O9S2 840.3986 NA PeJP NA NA +PJ050120 GALMMRY C36H60N10O9S2 840.3987 NA PeJP NA NA +PJ050121 SQQHRW C36H52N14O10 840.3991 NA PeJP NA NA +PJ050122 LMHFFF C44H56N8O7S 840.3993 NA PeJP NA NA +PJ050123 SSSSSKKM C32H60N10O14S 840.4011 NA PeJP NA NA +PJ050124 GTTTLYW C40H56N8O12 840.4018 NA PeJP NA NA +PJ050125 TCCKKKM C33H64N10O9S3 840.402 NA PeJP NA NA +PJ050126 AAQQMHR C33H56N14O10S 840.4025 NA PeJP NA NA +PJ050127 VKMMFW C41H60N8O7S2 840.4027 NA PeJP NA NA +PJ050128 GQKHWW C41H52N12O8 840.4031 NA PeJP NA NA +PJ050129 GGAKHWW C41H52N12O8 840.4032 NA PeJP NA NA +PJ050130 GTLKEMY C37H60N8O12S 840.4052 NA PeJP NA NA +PJ050131 PCFRRY C38H56N12O8S 840.4065 NA PeJP NA NA +PJ050132 FFRWW C46H52N10O6 840.4072 NA PeJP NA NA +PJ050133 SSSNKRY C34H56N12O13 840.409 NA PeJP NA NA +PJ050134 GGGGGGGGGPVL C34H56N12O13 840.4091 NA PeJP NA NA +PJ050135 CLMRRY C35H60N12O8S2 840.4099 NA PeJP NA NA +PJ050136 GPTHHHR C35H52N16O9 840.4104 NA PeJP NA NA +PJ050137 LKEEHW C39H56N10O11 840.413 NA PeJP NA NA +PJ050138 GAAPPDKW C39H56N10O11 840.4131 NA PeJP NA NA +PJ050139 NQMHRR C32H56N16O9S 840.4137 NA PeJP NA NA +MJ095948 2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione, 23,24-Dihydro, 2,25-di-O-?-D-glucopyranoside C42H64O17 840.41435 NA MeJP NA NA +MJ095949 2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-[?-D-Glucuronopyranosyl-(1?3)-?-D-glucopyranoside] C42H64O17 840.41435 NA MeJP NA NA +MJ095950 3,21,24-Trihydroxy-12-oleanen-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C42H64O17 840.41435 NA MeJP NA NA +MJ095951 Fevicordin F; O25-Me, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C42H64O17 840.41435 NA MeJP NA NA +MJ095952 Oleagenin; 3-O-[?-D-Glucopyranosyl(1?6)-?-D-glucopyranosyl(1?4)-D-diginoside] C42H64O17 840.41435 NA MeJP NA NA +PJ050140 PKHHHW C40H52N14O7 840.4144 NA PeJP NA NA +MJ095953 Halishigamide B C43H60N4O13 840.415688 NA MeJP NA NA +PJ050141 GTTLMRY C36H60N10O11S 840.4164 NA PeJP NA NA +MJ095954 N-[(1,1-Dimethylethoxy)carbonyl]-L-tryptophyl-N6-[[(2-methylphenyl)amino]carbonyl]-L-lysyl-L-?-aspartyl-N?-methyl-L-phenylalaninamide C44H56N8O9 840.417025 NA MeJP NA NA +PJ050142 PTKFYW C44H56N8O9 840.4171 NA PeJP NA NA +PJ050143 SPPNDRR C33H56N14O12 840.4202 NA PeJP NA NA +PJ050144 GGSPPDRR C33H56N14O12 840.4203 NA PeJP NA NA +PJ050145 TLKMYW C41H60N8O9S 840.4204 NA PeJP NA NA +PJ050146 STTLKEY C37H60N8O14 840.4229 NA PeJP NA NA +PJ050147 GVLKMMY C38H64N8O9S2 840.4238 NA PeJP NA NA +PJ050148 TLEHRW C38H56N12O10 840.4243 NA PeJP NA NA +PJ050149 CNHRRR C31H56N18O8S 840.425 NA PeJP NA NA +PJ050150 GSCKKRY C35H60N12O10S 840.4276 NA PeJP NA NA +PJ050151 GVLEMHR C35H60N12O10S 840.4277 NA PeJP NA NA +PJ050152 SLLHWW C43H56N10O8 840.4283 NA PeJP NA NA +PJ050153 GSTQHRR C32H56N16O11 840.4315 NA PeJP NA NA +PJ050154 AALLMHW C40H60N10O8S 840.4317 NA PeJP NA NA +PJ050155 STTTLRY C36H60N10O13 840.4342 NA PeJP NA NA +PJ050156 LKMMRY C37H64N10O8S2 840.435 NA PeJP NA NA +7578 ACE inhibitor WSVPQPK 840.435 antioxidative Inhouse_peptide NA peptide +7897 peptide from human milk b-casein (154-160) WSVPQPK 840.435 ACE inhibitor Inhouse_peptide NA peptide +MJ095955 Cus 1 C39H68O19 840.435479 NA MeJP NA NA +PJ050157 SQKHRW C37H56N14O9 840.4355 NA PeJP NA NA +PJ050158 SPPLLEW C41H60N8O11 840.4382 NA PeJP NA NA +PJ050159 LEMHRR C34H60N14O9S 840.4389 NA PeJP NA NA +PJ050160 GKKHWW C42H56N12O7 840.4395 NA PeJP NA NA +PJ050161 SSLLKMY C38H64N8O11S 840.4415 NA PeJP NA NA +PJ050162 VVTTKMY C38H64N8O11S 840.4416 NA PeJP NA NA +PJ050163 VLMHRW C39H60N12O7S 840.4429 NA PeJP NA NA +MJ095956 12-Hydroxydaphnetoxin; 12?-form, 12-Benzoyl, 20-hexadecanoyl C50H64O11 840.444862 NA MeJP NA NA +PJ050164 SSLLEHR C35H60N12O12 840.4454 NA PeJP NA NA +PJ050165 AALHHHR C36H56N16O8 840.4468 NA PeJP NA NA +PJ050166 ATTLLHW C40H60N10O10 840.4494 NA PeJP NA NA +PJ050167 GPPCRRR C33H60N16O8S 840.4501 NA PeJP NA NA +MJ095957 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-(6-O-Methyl-?-D-glucuronopyranoside), 28-O-?-D-glucopyranosyl ester C43H68O16 840.450736 NA MeJP NA NA +MJ095958 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 11-Ac, 3-O-[?-D-boivinopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C43H68O16 840.450736 NA MeJP NA NA +MJ095959 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-digitoxopyranoside] C43H68O16 840.450736 NA MeJP NA NA +MJ095960 Polycavernoside B2; 4B-Ac C43H68O16 840.450736 NA MeJP NA NA +MJ095961 Spirost-25(27)-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-xylopyranoside] C43H68O16 840.450736 NA MeJP NA NA +MJ095962 Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] C43H68O16 840.450736 NA MeJP NA NA +MJ095963 Halichondramide; 5,6-Dihydro, 7-alcohol C44H64N4O12 840.452073 NA MeJP NA NA +PJ050168 GSKKKMY C37H64N10O10S 840.4528 NA PeJP NA NA +PJ050169 VVKFYW C45H60N8O8 840.4534 NA PeJP NA NA +PJ050170 PPPVVFW C45H60N8O8 840.4535 NA PeJP NA NA +PJ050171 GPVQERR C34H60N14O11 840.4566 NA PeJP NA NA +PJ050172 GGGPLERR C34H60N14O11 840.4567 NA PeJP NA NA +PJ050173 PPVVLMW C42H64N8O8S 840.4568 NA PeJP NA NA +PJ050174 VHHHRR C35H56N18O7 840.458 NA PeJP NA NA +MJ095964 Antibiotic L 156602 C38H64N8O13 840.459284 NA MeJP NA NA +MJ095965 Antibiotic MH 563-32F1 C38H64N8O13 840.459284 NA MeJP NA NA +MJ095966 Antibiotic PD 124966 C38H64N8O13 840.459284 NA MeJP NA NA +PJ050175 PLLLQEE C38H64N8O13 840.4593 NA PeJP NA NA +PJ050176 GPPTKRW C39H60N12O9 840.4607 NA PeJP NA NA +PJ050177 ATLLMHR C36H64N12O9S 840.464 NA PeJP NA NA +PJ050178 PPKKWW C44H60N10O7 840.4647 NA PeJP NA NA +PJ050179 PQERRR C33H60N16O10 840.4679 NA PeJP NA NA +PJ050180 LKMFFR C41H64N10O7S 840.4681 NA PeJP NA NA +PJ050181 SSTKKKY C37H64N10O12 840.4705 NA PeJP NA NA +PJ050182 PVVLEER C37H64N10O12 840.4706 NA PeJP NA NA +PJ050183 PVQRRW C38H60N14O8 840.4719 NA PeJP NA NA +PJ050184 APLLLEW C42H64N8O10 840.4746 NA PeJP NA NA +PJ050185 GPPKMRR C35H64N14O8S 840.4753 NA PeJP NA NA +PJ050186 GPPTLLLM C39H68N8O10S 840.478 NA PeJP NA NA +PJ050187 TTTLLHR C36H64N12O11 840.4818 NA PeJP NA NA +PJ050188 APRRRW C37H60N16O7 840.4831 NA PeJP NA NA +PJ050189 SPPVKKW C41H64N10O9 840.4858 NA PeJP NA NA +MJ095967 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] C44H72O15 840.487121 NA MeJP NA NA +MJ095968 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-3-O-acetyl-?-D-glucopyranoside] C44H72O15 840.487121 NA MeJP NA NA +MJ095969 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-6-O-acetyl-?-D-glucopyranoside] C44H72O15 840.487121 NA MeJP NA NA +PJ050190 SLLLKMH C38H68N10O9S 840.4892 NA PeJP NA NA +PJ050191 GPVKERR C35H64N14O10 840.493 NA PeJP NA NA +PJ050192 PLLLKEE C39H68N8O12 840.4957 NA PeJP NA NA +PJ050193 AVVLHFR C40H64N12O8 840.497 NA PeJP NA NA +PJ050194 AAPLKRW C40H64N12O8 840.4971 NA PeJP NA NA +PJ050195 PPCLKKR C37H68N12O8S 840.5004 NA PeJP NA NA +PJ050196 PKERRR C34H64N16O9 840.5043 NA PeJP NA NA +MJ095970 KM043 C45H76O12S 840.505748 NA MeJP NA NA +PJ050197 PTLLLER C38H68N10O11 840.5069 NA PeJP NA NA +PJ050198 GGPLLKKE C38H68N10O11 840.507 NA PeJP NA NA +PJ050199 PVKRRW C39H64N14O7 840.5083 NA PeJP NA NA +PJ050200 SPLLLLW C43H68N8O9 840.511 NA PeJP NA NA +PJ050201 AAPLLLLM C40H72N8O9S 840.5143 NA PeJP NA NA +PJ050202 PTRRRR C33H64N18O8 840.5155 NA PeJP NA NA +PJ050203 APLKKER C37H68N12O10 840.5182 NA PeJP NA NA +PJ050204 GPLLKKW C42H68N10O8 840.5222 NA PeJP NA NA +PJ050205 PVLLLMR C39H72N10O8S 840.5256 NA PeJP NA NA +PJ050206 APTLKRR C36H68N14O9 840.5294 NA PeJP NA NA +PJ050207 LLLLLQE C40H72N8O11 840.5321 NA PeJP NA NA +PJ050208 LLQRRR C35H68N16O8 840.5406 NA PeJP NA NA +PJ050209 GALLRRR C35H68N16O8 840.5407 NA PeJP NA NA +PJ050210 VVLLLER C39H72N10O10 840.5433 NA PeJP NA NA +PJ050211 VVVLLLW C44H72N8O8 840.5473 NA PeJP NA NA +PJ050212 ALLLLLW C44H72N8O8 840.5474 NA PeJP NA NA +PJ050213 VVRRRR C34H68N18O7 840.5519 NA PeJP NA NA +PJ050214 SPLLKKR C38H72N12O9 840.5546 NA PeJP NA NA +PJ050215 GVLLKRR C37H72N14O8 840.5658 NA PeJP NA NA +PJ050216 LLLLLKE C41H76N8O10 840.5685 NA PeJP NA NA +PJ050217 LLKRRR C36H72N16O7 840.577 NA PeJP NA NA +PJ050218 TLLLLLR C40H76N10O9 840.5797 NA PeJP NA NA +PJ050219 VVVLKKR C39H76N12O8 840.5909 NA PeJP NA NA +PJ050220 ALLLKKR C39H76N12O8 840.591 NA PeJP NA NA +PJ050221 VLLLKKK C41H80N10O8 840.6161 NA PeJP NA NA +MJ095971 Stigmast-5-en-3-ol, O-[9Z-Octadecenoyl-(?6)-?-D-glucopyranoside] C53H92O7 840.684305 NA MeJP NA NA +MJ095972 Stigmasta-5,24(28)-dien-3-ol, 3-O-[6-O-Octadecanoyl-?-D-glucopyranoside] C53H92O7 840.684305 NA MeJP NA NA +MJ095973 Stigmasta-7,22-dien-3-ol, O-(6-O-Octadecanoyl-?-D-glucopyranoside) C53H92O7 840.684305 NA MeJP NA NA +HMDB13461 SM(d18:0/26:1(17Z)) C49H97N2O6P 840.708435 NA HMDB2010 NA NA +HMDB11702 TG(15:0/16:0/20:4(5Z,8Z,11Z,14Z))[iso6] C54H96O6 840.720703 NA HMDB2010 NA NA +HMDB11709 TG(15:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6] C54H96O6 840.720703 NA HMDB2010 NA NA +HMDB11711 TG(15:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C54H96O6 840.720703 NA HMDB2010 NA NA +PJ050222 GCCCCCNH C27H43N11O10S5 841.1798 NA PeJP NA NA +PJ050223 CCCDMMH C29H47N9O10S5 841.205 NA PeJP NA NA +PJ050224 CDDDDEM C29H43N7O18S2 841.2106 NA PeJP NA NA +PJ050225 GCCCNNND C27H43N11O14S3 841.2153 NA PeJP NA NA +PJ050226 GGGCCCNND C27H43N11O14S3 841.2154 NA PeJP NA NA +PJ050227 CCCDDHF C32H43N9O12S3 841.2194 NA PeJP NA NA +PJ050228 GSCCNDDE C28H43N9O17S2 841.2219 NA PeJP NA NA +PJ050229 GPCCCNDM C29H47N9O12S4 841.2227 NA PeJP NA NA +PJ050230 GGGPCCCDM C29H47N9O12S4 841.2228 NA PeJP NA NA +PJ050231 CCCCHHH C30H43N13O8S4 841.2241 NA PeJP NA NA +PJ050232 GCCCMYY C34H47N7O10S4 841.2268 NA PeJP NA NA +PJ050233 SCCNDDW C32H43N9O14S2 841.2371 NA PeJP NA NA +PJ050234 PCCCCQW C33H47N9O9S4 841.238 NA PeJP NA NA +PJ050235 SSSCNDDD C28H43N9O19S 841.2396 NA PeJP NA NA +PJ050236 CNNDDMM C29H47N9O14S3 841.2405 NA PeJP NA NA +PJ050237 SCCMMMH C30H51N9O9S5 841.2414 NA PeJP NA NA +PJ050238 PCDDDDY C33H43N7O17S 841.2437 NA PeJP NA NA +PJ050239 STCCCYY C34H47N7O12S3 841.2445 NA PeJP NA NA +PJ050240 SDDDEMM C30H47N7O17S2 841.247 NA PeJP NA NA +PJ050241 PCDDMMM C31H51N7O12S4 841.2479 NA PeJP NA NA +PJ050242 CCCNDER C28H47N11O13S3 841.2517 NA PeJP NA NA +PJ050243 GGGGGGGSCCM C28H47N11O13S3 841.2518 NA PeJP NA NA +PJ050244 CNNDDDF C32H43N9O16S 841.2549 NA PeJP NA NA +PJ050245 GCCNEMW C33H47N9O11S3 841.2558 NA PeJP NA NA +PJ050246 GSSCNDEM C29H47N9O16S2 841.2583 NA PeJP NA NA +PJ050247 GSPCCNMM C30H51N9O11S4 841.2591 NA PeJP NA NA +PJ050248 CCNNDHH C30H43N13O12S2 841.2596 NA PeJP NA NA +PJ050249 GCCCFFY C38H47N7O9S3 841.2598 NA PeJP NA NA +PJ050250 GDDDEEY C33H43N7O19 841.2614 NA PeJP NA NA +PJ050251 PCDDDMF C34H47N7O14S2 841.2623 NA PeJP NA NA +PJ050252 VCDDEMM C31H51N7O14S3 841.2656 NA PeJP NA NA +PJ050253 GDEEMMM C31H51N7O14S3 841.2657 NA PeJP NA NA +PJ050254 SCDDEHH C31H43N11O15S 841.2661 NA PeJP NA NA +PJ050255 GCCCDRW C32H47N11O10S3 841.267 NA PeJP NA NA +PJ050256 GSSCCDDR C28H47N11O15S2 841.2695 NA PeJP NA NA +PJ050257 GPTCCCCR C29H51N11O10S4 841.2704 NA PeJP NA NA +PJ050258 CCNMWW C37H47N9O8S3 841.271 NA PeJP NA NA +PJ050259 SNNDDDY C32H43N9O18 841.2726 NA PeJP NA NA +PJ050260 GGGGSDDDY C32H43N9O18 841.2727 NA PeJP NA NA +PJ050261 SSCNDMW C33H47N9O13S2 841.2735 NA PeJP NA NA +PJ050262 PCCCCKW C34H51N9O8S4 841.2744 NA PeJP NA NA +PJ050263 SSSSNDDM C29H47N9O18S 841.276 NA PeJP NA NA +PJ050264 DDDEYW C37H43N7O16 841.2767 NA PeJP NA NA +PJ050265 SNNDMMM C30H51N9O13S3 841.2769 NA PeJP NA NA +PJ050266 CCQYYY C38H47N7O11S2 841.2775 NA PeJP NA NA +MJ095974 Perdeacylwilfortrine; 2-Benzoyl, 6,8,9,14-tetra-Ac C41H47NO18 841.279313 NA MeJP NA NA +MJ095975 Perdeacylwilfortrine; 6-Benzoyl, 1,8,9,14-tetra-Ac C41H47NO18 841.279313 NA MeJP NA NA +PJ050267 SPDDDMY C34H47N7O16S 841.28 NA PeJP NA NA +PJ050268 DEMMMW C35H51N7O11S3 841.2809 NA PeJP NA NA +PJ050269 SSEEEMM C31H51N7O16S2 841.2834 NA PeJP NA NA +PJ050270 SPDMMMM C32H55N7O11S4 841.2843 NA PeJP NA NA +PJ050271 CCNNNQF C32H47N11O12S2 841.2847 NA PeJP NA NA +PJ050272 GGGGCCNQF C32H47N11O12S2 841.2848 NA PeJP NA NA +PJ050273 GSSSSSCNN C28H47N11O17S 841.2872 NA PeJP NA NA +PJ050274 GGGGGSSSSSC C28H47N11O17S 841.2873 NA PeJP NA NA +PJ050275 SCCNEMR C29H51N11O12S3 841.2881 NA PeJP NA NA +PJ050276 GSTCCWW C37H47N9O10S2 841.2888 NA PeJP NA NA +PJ050277 GSSSSCEW C33H47N9O15S 841.2913 NA PeJP NA NA +PJ050278 GSCQMMW C34H51N9O10S3 841.2921 NA PeJP NA NA +PJ050279 GGGAPCCMF C34H51N9O10S3 841.2922 NA PeJP NA NA +PJ050280 GSSSSSSDE C29H47N9O20 841.2938 NA PeJP NA NA +PJ050281 GSSSNEMM C30H51N9O15S2 841.2946 NA PeJP NA NA +PJ050282 NNNNDDH C30H43N13O16 841.2951 NA PeJP NA NA +PJ050283 DDEMFW C38H47N7O13S 841.2953 NA PeJP NA NA +PJ050284 GNQMMMM C31H55N9O10S4 841.2955 NA PeJP NA NA +PJ050285 SCNNMHH C31H47N13O11S2 841.296 NA PeJP NA NA +PJ050286 GSEEEEY C34H47N7O18 841.2978 NA PeJP NA NA +PJ050287 GPDEMMY C35H51N7O13S2 841.2987 NA PeJP NA NA +PJ050288 GDDDHHF C35H43N11O14 841.2991 NA PeJP NA NA +PJ050289 SCCCDRR C28H51N13O11S3 841.2994 NA PeJP NA NA +PJ050290 CEMHHW C36H47N11O9S2 841.3 NA PeJP NA NA +PJ050291 ATEEMMM C32H55N7O13S3 841.302 NA PeJP NA NA +PJ050292 GCNDDRY C32H47N11O14S 841.3025 NA PeJP NA NA +PJ050293 APMMMMM C33H59N7O8S5 841.3029 NA PeJP NA NA +PJ050294 GSCCMRW C33H51N11O9S3 841.3034 NA PeJP NA NA +PJ050295 GCDHHHH C33H43N15O10S 841.3039 NA PeJP NA NA +PJ050296 CCHFFW C41H47N9O7S2 841.304 NA PeJP NA NA +PJ050297 GSSSCDMR C29H51N11O14S2 841.3059 NA PeJP NA NA +PJ050298 SSSSCWW C37H47N9O12S 841.3065 NA PeJP NA NA +PJ050299 GCNMMMR C30H55N11O9S4 841.3067 NA PeJP NA NA +PJ050300 GGGCMMMR C30H55N11O9S4 841.3068 NA PeJP NA NA +PJ050301 SSSSSSDW C33H47N9O17 841.309 NA PeJP NA NA +PJ050302 SSSNMMW C34H51N9O12S2 841.3099 NA PeJP NA NA +PJ050303 SSSSSQEM C30H51N9O17S 841.3124 NA PeJP NA NA +PJ050304 SEEEYW C38H47N7O15 841.313 NA PeJP NA NA +PJ050305 GPDDEFY C38H47N7O15 841.3131 NA PeJP NA NA +PJ050306 SSQQMMM C31H55N9O12S3 841.3133 NA PeJP NA NA +PJ050307 GSSSCQHH C31H47N13O13S 841.3137 NA PeJP NA NA +PJ050308 GGGGGSPCNH C31H47N13O13S 841.3138 NA PeJP NA NA +PJ050309 PDMMYW C39H51N7O10S2 841.3139 NA PeJP NA NA +PJ050310 AAEEEMY C35H51N7O15S 841.3164 NA PeJP NA NA +PJ050311 PPTCMMY C36H55N7O10S3 841.3173 NA PeJP NA NA +PJ050312 GPCNEHW C36H47N11O11S 841.3178 NA PeJP NA NA +PJ050313 ACCCMRR C29H55N13O8S4 841.318 NA PeJP NA NA +PJ050314 TTTEEMM C32H55N7O15S2 841.3198 NA PeJP NA NA +PJ050315 GSSSNNNY C32H47N11O16 841.3202 NA PeJP NA NA +PJ050316 GGGSSSNNY C32H47N11O16 841.3203 NA PeJP NA NA +MJ095976 Lividomycin A; 6-Phosphate C29H56N5O21P 841.32054 NA MeJP NA NA +PJ050317 GLEMMMM C33H59N7O10S4 841.3207 NA PeJP NA NA +PJ050318 SSTCCRW C33H51N11O11S2 841.3211 NA PeJP NA NA +PJ050319 GGGGGGCCKF C33H51N11O11S2 841.3212 NA PeJP NA NA +PJ050320 GCQYWW C41H47N9O9S 841.3218 NA PeJP NA NA +PJ050321 SSSSSCER C29H51N11O16S 841.3236 NA PeJP NA NA +PJ050322 GSSNEYW C37H47N9O14 841.3243 NA PeJP NA NA +PJ050323 SSCQMMR C30H55N11O11S3 841.3245 NA PeJP NA NA +PJ050324 NNMMFW C38H51N9O9S2 841.3251 NA PeJP NA NA +PJ050325 GGNMMFW C38H51N9O9S2 841.3252 NA PeJP NA NA +PJ050326 GSSSSTMW C34H51N9O14S 841.3276 NA PeJP NA NA +PJ050327 DEEMRY C34H51N9O14S 841.3277 NA PeJP NA NA +PJ050328 PDDFYW C42H47N7O12 841.3283 NA PeJP NA NA +PJ050329 GSCKMMW C35H55N9O9S3 841.3285 NA PeJP NA NA +PJ050330 GCNQHHF C35H47N13O10S 841.329 NA PeJP NA NA +PJ050331 GSSSSSTTE C30H51N9O19 841.3301 NA PeJP NA NA +PJ050332 GSSSDKMM C31H55N9O14S2 841.331 NA PeJP NA NA +PJ050333 GNDDEHR C31H47N13O15 841.3315 NA PeJP NA NA +PJ050334 VDEMYW C39H51N7O12S 841.3317 NA PeJP NA NA +PJ050335 GNKMMMM C32H59N9O9S4 841.3319 NA PeJP NA NA +PJ050336 SCCQKHH C32H51N13O10S2 841.3324 NA PeJP NA NA +PJ050337 PMMMFW C40H55N7O7S3 841.3325 NA PeJP NA NA +PJ050338 PCNHWW C40H47N11O8S 841.333 NA PeJP NA NA +PJ050339 ATTEEEY C35H51N7O17 841.3342 NA PeJP NA NA +PJ050340 APTEMMY C36H55N7O12S2 841.335 NA PeJP NA NA +PJ050341 GVEEMMF C36H55N7O12S2 841.3351 NA PeJP NA NA +PJ050342 NQEEHW C36H47N11O13 841.3355 NA PeJP NA NA +PJ050343 SSCCMRR C29H55N13O10S3 841.3357 NA PeJP NA NA +PJ050344 LMMMMW C37H59N7O7S4 841.3359 NA PeJP NA NA +PJ050345 CCQFRW C37H51N11O8S2 841.3364 NA PeJP NA NA +PJ050346 STLEMMM C33H59N7O12S3 841.3384 NA PeJP NA NA +PJ050347 GSNDMRY C33H51N11O13S 841.3389 NA PeJP NA NA +PJ050348 SSNYWW C41H47N9O11 841.3395 NA PeJP NA NA +PJ050349 GGGGDFFW C41H47N9O11 841.3396 NA PeJP NA NA +PJ050350 GVMMMHH C34H55N11O8S3 841.3398 NA PeJP NA NA +PJ050351 GSMHHHH C34H47N15O9S 841.3402 NA PeJP NA NA +PJ050352 GSSSSMMR C30H55N11O13S2 841.3423 NA PeJP NA NA +PJ050353 SQQMYW C38H51N9O11S 841.3429 NA PeJP NA NA +PJ050354 ACCKMMR C31H59N11O8S4 841.3431 NA PeJP NA NA +PJ050355 SSSSSTTW C34H51N9O16 841.3454 NA PeJP NA NA +PJ050356 SSTCKMW C35H55N9O11S2 841.3463 NA PeJP NA NA +PJ050357 GSNNQHW C35H47N13O12 841.3467 NA PeJP NA NA +PJ050358 NDDHRW C35H47N13O12 841.3468 NA PeJP NA NA +PJ050359 PDMFFW C43H51N7O9S 841.3469 NA PeJP NA NA +PJ050360 SSSSSKEM C31H55N9O16S 841.3488 NA PeJP NA NA +PJ050361 AAPEEYY C39H51N7O14 841.3494 NA PeJP NA NA +PJ050362 SSQKMMM C32H59N9O11S3 841.3496 NA PeJP NA NA +PJ050363 GGSTKMMM C32H59N9O11S3 841.3497 NA PeJP NA NA +PJ050364 SPCNEHR C32H51N13O12S 841.3501 NA PeJP NA NA +PJ050365 GGGGGGGGVMH C32H51N13O12S 841.3502 NA PeJP NA NA +PJ050366 VEMMFW C40H55N7O9S2 841.3503 NA PeJP NA NA +PJ050367 GQEHWW C40H47N11O10 841.3508 NA PeJP NA NA +PJ050368 MMMHHR C33H55N13O7S3 841.351 NA PeJP NA NA +MJ095977 Sulfurmycin F C43H55NO16 841.352084 NA MeJP NA NA +PJ050369 GTLEEMY C36H55N7O14S 841.3528 NA PeJP NA NA +PJ050370 GPLMMMY C37H59N7O9S3 841.3537 NA PeJP NA NA +PJ050371 SCQRYW C37H51N11O10S 841.3541 NA PeJP NA NA +PJ050372 GGGPTMHW C37H51N11O10S 841.3542 NA PeJP NA NA +PJ050373 SSSNERY C33H51N11O15 841.3566 NA PeJP NA NA +PJ050374 GGPPDDER C33H51N11O15 841.3567 NA PeJP NA NA +PJ050375 SVLMMMM C34H63N7O9S4 841.357 NA PeJP NA NA +PJ050376 NQMMRY C34H55N11O10S2 841.3575 NA PeJP NA NA +PJ050377 SSTHHHH C34H47N15O11 841.358 NA PeJP NA NA +PJ050378 GCKYWW C42H51N9O8S 841.3582 NA PeJP NA NA +PJ050379 SSSSSTMR C30H55N11O15S 841.36 NA PeJP NA NA +PJ050380 SSSTQFW C38H51N9O13 841.3606 NA PeJP NA NA +PJ050381 GSSDKYW C38H51N9O13 841.3607 NA PeJP NA NA +PJ050382 SSCKMMR C31H59N11O10S3 841.3609 NA PeJP NA NA +PJ050383 ACNNQHR C31H51N15O11S 841.3613 NA PeJP NA NA +PJ050384 GNNNMHR C31H51N15O11S 841.3614 NA PeJP NA NA +PJ050385 CQKMFW C39H55N9O8S2 841.3615 NA PeJP NA NA +PJ050386 PEHHHW C39H47N13O9 841.362 NA PeJP NA NA +PJ050387 GSQKEMY C35H55N9O13S 841.364 NA PeJP NA NA +PJ050388 GGGPPPTEM C35H55N9O13S 841.3641 NA PeJP NA NA +PJ050389 PVDYYW C43H51N7O11 841.3647 NA PeJP NA NA +PJ050390 PPVMMMH C36H59N9O8S3 841.3649 NA PeJP NA NA +PJ050391 GSPCHRW C36H51N13O9S 841.3654 NA PeJP NA NA +PJ050392 QHWWW C44H47N11O7 841.366 NA PeJP NA NA +PJ050393 SSSSSSSTL C31H55N9O18 841.3665 NA PeJP NA NA +PJ050394 GSSTTKMM C32H59N9O13S2 841.3674 NA PeJP NA NA +PJ050395 GSQEEHR C32H51N13O14 841.3679 NA PeJP NA NA +MJ095978 Senktide C40H55N7O11S 841.368026 NA MeJP NA NA +PJ050396 TLEMYW C40H55N7O11S 841.3681 NA PeJP NA NA +PJ050397 ACKKMMM C33H63N9O8S4 841.3683 NA PeJP NA NA +PJ050398 CNMRRY C33H55N13O9S2 841.3687 NA PeJP NA NA +PJ050399 GGCMRRY C33H55N13O9S2 841.3688 NA PeJP NA NA +PJ050400 CLHHFW C41H51N11O7S 841.3694 NA PeJP NA NA +PJ050401 STTLEEY C36H55N7O16 841.3705 NA PeJP NA NA +PJ050402 TTTLDEY C36H55N7O16 841.3706 NA PeJP NA NA +PJ050403 GVLEMMY C37H59N7O11S2 841.3714 NA PeJP NA NA +PJ050404 GSSSRYW C37H51N11O12 841.3719 NA PeJP NA NA +PJ050405 CCKFRW C38H55N11O7S2 841.3728 NA PeJP NA NA +PJ050406 QHHHHF C38H47N15O8 841.3732 NA PeJP NA NA +PJ050407 GAHHHHF C38H47N15O8 841.3733 NA PeJP NA NA +PJ050408 GSTQMRY C34H55N11O12S 841.3753 NA PeJP NA NA +PJ050409 PPQEWW C42H51N9O10 841.3759 NA PeJP NA NA +PJ050410 GSDDHRR C31H51N15O13 841.3791 NA PeJP NA NA +PJ050411 GGGGGGGGGGPR C31H51N15O13 841.3792 NA PeJP NA NA +PJ050412 SQKMYW C39H55N9O10S 841.3793 NA PeJP NA NA +PJ050413 APCCHRR C32H55N15O8S2 841.38 NA PeJP NA NA +PJ050414 SSTQKEY C35H55N9O15 841.3818 NA PeJP NA NA +PJ050415 LEMMRY C36H59N9O10S2 841.3827 NA PeJP NA NA +PJ050416 SQEHRW C36H51N13O11 841.3831 NA PeJP NA NA +PJ050417 GGGGGSKHW C36H51N13O11 841.3832 NA PeJP NA NA +PJ050418 PVMFYW C44H55N7O8S 841.3833 NA PeJP NA NA +PJ050419 SSSTTTKM C32H59N9O15S 841.3852 NA PeJP NA NA +PJ050420 GPTLEYY C40H55N7O13 841.3858 NA PeJP NA NA +PJ050421 SSKKMMM C33H63N9O10S3 841.386 NA PeJP NA NA +PJ050422 GSTCRRY C33H55N13O11S 841.3865 NA PeJP NA NA +PJ050423 VLMMYW C41H59N7O8S2 841.3867 NA PeJP NA NA +PJ050424 SVQHWW C41H51N11O9 841.3871 NA PeJP NA NA +PJ050425 GKEHWW C41H51N11O9 841.3872 NA PeJP NA NA +C13891 1,2-Didodecanoyl-sn-glycero-3-cytidine-5'-diphosphate C36H65N3O15P2 841.3891 NA KEGG NA NA +PJ050426 SSLLEMY C37H59N7O13S 841.3892 NA PeJP NA NA +PJ050427 GLLMMMF C38H63N7O8S3 841.3901 NA PeJP NA NA +PJ050428 SCKRYW C38H55N11O9S 841.3905 NA PeJP NA NA +PJ050429 APPWWW C46H51N9O7 841.3912 NA PeJP NA NA +PJ050430 SSSDKRY C34H55N11O14 841.393 NA PeJP NA NA +PJ050431 GGGGGSPPKE C34H55N11O14 841.3931 NA PeJP NA NA +PJ050432 NKMMRY C35H59N11O9S2 841.3939 NA PeJP NA NA +PJ050433 GVQQHHH C35H51N15O10 841.3944 NA PeJP NA NA +PJ050434 GSTTKYW C39H55N9O12 841.397 NA PeJP NA NA +PJ050435 GPPKEEW C39H55N9O12 841.3971 NA PeJP NA NA +PJ050436 NEMHRR C32H55N15O10S 841.3977 NA PeJP NA NA +PJ050437 GGEMHRR C32H55N15O10S 841.3978 NA PeJP NA NA +PJ050438 CKKMFW C40H59N9O7S2 841.3979 NA PeJP NA NA +PJ050439 GTHRWW C40H51N13O8 841.3984 NA PeJP NA NA +PJ050440 GSKKEMY C36H59N9O12S 841.4004 NA PeJP NA NA +PJ050441 PTLYYW C44H55N7O10 841.4011 NA PeJP NA NA +PJ050442 VNMHRW C37H55N13O8S 841.4018 NA PeJP NA NA +PJ050443 KHWWW C45H51N11O6 841.4024 NA PeJP NA NA +PJ050444 SSSSRRY C33H55N13O13 841.4043 NA PeJP NA NA +PJ050445 GPVLMYY C41H59N7O10S 841.4044 NA PeJP NA NA +PJ050446 GVLEMFF C41H59N7O10S 841.4045 NA PeJP NA NA +PJ050447 APCKMHR C34H59N13O8S2 841.4051 NA PeJP NA NA +PJ050448 QQHHHR C34H51N17O9 841.4056 NA PeJP NA NA +PJ050449 ATLLMMY C38H63N7O10S2 841.4078 NA PeJP NA NA +PJ050450 GPPTERW C38H55N11O11 841.4083 NA PeJP NA NA +PJ050451 CDHRRR C31H55N17O9S 841.409 NA PeJP NA NA +PJ050452 KHHHHF C39H51N15O7 841.4096 NA PeJP NA NA +PJ050453 ASSKMRY C35H59N11O11S 841.4116 NA PeJP NA NA +PJ050454 GSTKMRY C35H59N11O11S 841.4117 NA PeJP NA NA +PJ050455 PPKEWW C43H55N9O9 841.4123 NA PeJP NA NA +PJ050456 GMHRRW C36H55N15O7S 841.413 NA PeJP NA NA +PJ050457 GSTEHRR C32H55N15O12 841.4155 NA PeJP NA NA +PJ050458 SKKMYW C40H59N9O9S 841.4157 NA PeJP NA NA +PJ050459 PVFFFW C48H55N7O7 841.4163 NA PeJP NA NA +PJ050460 SSTKKEY C36H59N9O14 841.4182 NA PeJP NA NA +PJ050461 ASKKMMF C37H63N9O9S2 841.419 NA PeJP NA NA +PJ050462 AAKKMMY C37H63N9O9S2 841.4191 NA PeJP NA NA +PJ050463 SKEHRW C37H55N13O10 841.4195 NA PeJP NA NA +PJ050464 VLMFFW C45H59N7O7S 841.4197 NA PeJP NA NA +PJ050465 AALLEYY C41H59N7O12 841.4222 NA PeJP NA NA +PJ050466 GPPEMRR C34H59N13O10S 841.4229 NA PeJP NA NA +PJ050467 PPTRWW C42H55N11O8 841.4235 NA PeJP NA NA +PJ050468 GAPKHFW C42H55N11O8 841.4236 NA PeJP NA NA +PJ050469 TTTLLMY C38H63N7O12S 841.4256 NA PeJP NA NA +PJ050470 GPPVMRW C39H59N11O8S 841.4269 NA PeJP NA NA +PJ050471 SSTTKRY C35H59N11O13 841.4294 NA PeJP NA NA +PJ050472 APKKMMH C36H63N11O8S2 841.4303 NA PeJP NA NA +PJ050473 STHRRW C36H55N15O9 841.4308 NA PeJP NA NA +PJ050474 SPPVKEW C40H59N9O11 841.4334 NA PeJP NA NA +PJ050475 GGAPLLEW C40H59N9O11 841.4335 NA PeJP NA NA +PJ050476 DKMHRR C33H59N15O9S 841.4341 NA PeJP NA NA +PJ050477 LLHHHW C41H55N13O7 841.4348 NA PeJP NA NA +PJ050478 ATTKKMY C37H63N9O11S 841.4368 NA PeJP NA NA +PJ050479 VVLYYW C45H59N7O9 841.4375 NA PeJP NA NA +PJ050480 PPMRRW C38H59N13O7S 841.4382 NA PeJP NA NA +PJ050481 SPPTERR C34H59N13O12 841.4406 NA PeJP NA NA +PJ050482 GPVEERR C34H59N13O12 841.4407 NA PeJP NA NA +PJ050483 GVLLMFY C42H63N7O9S 841.4408 NA PeJP NA NA +PJ050484 QKHHHR C35H55N17O8 841.442 NA PeJP NA NA +PJ050485 PLLLEEE C38H63N7O14 841.4433 NA PeJP NA NA +PJ050486 AAPLERW C39H59N11O10 841.4447 NA PeJP NA NA +PJ050487 SMHRRR C32H59N17O8S 841.4454 NA PeJP NA NA +MJ095979 Antibiotic S-4C 33 C42H67NO16 841.445985 NA MeJP NA NA +MJ095980 Carbomycin C42H67NO16 841.445985 NA MeJP NA NA +PJ050488 PPTLQMR C36H63N11O10S 841.448 NA PeJP NA NA +PJ050489 PPVDKMR C36H63N11O10S 841.4481 NA PeJP NA NA +PJ050490 PLLQWW C44H59N9O8 841.4487 NA PeJP NA NA +PJ050491 PEERRR C33H59N15O11 841.4519 NA PeJP NA NA +PJ050492 APPLKMW C41H63N9O8S 841.4521 NA PeJP NA NA +PJ050493 TTTTKKY C37H63N9O13 841.4546 NA PeJP NA NA +PJ050494 VVLLMMH C38H67N9O8S2 841.4554 NA PeJP NA NA +PJ050495 PVERRW C38H59N13O9 841.4559 NA PeJP NA NA +PJ050496 GTLLLYY C42H63N7O11 841.4586 NA PeJP NA NA +PJ050497 SPPVMRR C35H63N13O9S 841.4593 NA PeJP NA NA +PJ050498 PVVRWW C43H59N11O7 841.4599 NA PeJP NA NA +PJ050499 GSPNRRR C32H59N17O10 841.4631 NA PeJP NA NA +PJ050500 LKKMHW C40H63N11O7S 841.4633 NA PeJP NA NA +PJ050501 APLKEER C36H63N11O12 841.4658 NA PeJP NA NA +PJ050502 VQHFRR C37H59N15O8 841.4671 NA PeJP NA NA +PJ050503 GGLHFRR C37H59N15O8 841.4672 NA PeJP NA NA +PJ050504 GPLLKEW C41H63N9O10 841.4698 NA PeJP NA NA +PJ050505 PPLKKEM C38H67N9O10S 841.4732 NA PeJP NA NA +PJ050506 GVLLFFF C46H63N7O8 841.4739 NA PeJP NA NA +PJ050507 APTLERR C35H63N13O11 841.477 NA PeJP NA NA +PJ050508 GGAPKKER C35H63N13O11 841.4771 NA PeJP NA NA +5465 aurein 3,3,1 FDIVKKIAGHIVSSIG 841.47795 MH2+ Inhouse_peptide NA peptide +PJ050509 AHFRRR C36H59N17O7 841.4784 NA PeJP NA NA +PJ050510 GPTLLRW C40H63N11O9 841.4811 NA PeJP NA NA +MJ095981 Leucomycin A12 C43H71NO15 841.48237 NA MeJP NA NA +MJ095982 Leucomycin A14 C43H71NO15 841.48237 NA MeJP NA NA +MJ095983 Platenomycin A1 C43H71NO15 841.48237 NA MeJP NA NA +MJ095984 Platenomycin A2 C43H71NO15 841.48237 NA MeJP NA NA +MJ095985 Platenomycin W3 C43H71NO15 841.48237 NA MeJP NA NA +MJ095986 Spirosolan-3-ol, O-[?-D-Xylopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] C43H71NO15 841.48237 NA MeJP NA NA +PJ050511 PPTLKMR C37H67N11O9S 841.4844 NA PeJP NA NA +PJ050512 PLLKWW C45H63N9O7 841.4851 NA PeJP NA NA +PJ050513 GPTQKRR C34H63N15O10 841.4883 NA PeJP NA NA +PJ050514 VLLLQQE C38H67N9O12 841.4909 NA PeJP NA NA +PJ050515 PVLKKEE C38H67N9O12 841.491 NA PeJP NA NA +PJ050516 PQKKRW C39H63N13O8 841.4923 NA PeJP NA NA +PJ050517 GPLLMRR C36H67N13O8S 841.4957 NA PeJP NA NA +MJ095987 Azaspiracid C47H71NO12 841.497626 NA MeJP NA NA +PJ050518 VQQRRR C33H63N17O9 841.4995 NA PeJP NA NA +PJ050519 SPLLKER C37H67N11O11 841.5022 NA PeJP NA NA +PJ050520 VKHFRR C38H63N15O7 841.5035 NA PeJP NA NA +PJ050521 SPVLLKW C42H67N9O9 841.5062 NA PeJP NA NA +PJ050522 PLLLQKM C39H71N9O9S 841.5096 NA PeJP NA NA +PJ050523 AQRRRR C32H63N19O8 841.5107 NA PeJP NA NA +PJ050524 GAARRRR C32H63N19O8 841.5108 NA PeJP NA NA +PJ050525 GVLLERR C36H67N13O10 841.5134 NA PeJP NA NA +PJ050526 LLLLLEE C40H71N7O12 841.5161 NA PeJP NA NA +PJ050527 AVLKKHF C41H67N11O8 841.5174 NA PeJP NA NA +PJ050528 AALLLRW C41H67N11O8 841.5175 NA PeJP NA NA +MJ095988 Mycobactin; Mycobactin J C45H71N5O10 841.520093 NA MeJP NA NA +PJ050529 PVVLKMR C38H71N11O8S 841.5208 NA PeJP NA NA +PJ050530 LLERRR C35H67N15O9 841.5247 NA PeJP NA NA +PJ050531 VLLLQKE C39H71N9O11 841.5273 NA PeJP NA NA +PJ050532 GGILLLKE C39H71N9O11 841.5274 NA PeJP NA NA +PJ050533 VLLRRW C40H67N13O7 841.5287 NA PeJP NA NA +PJ050534 VQKRRR C34H67N17O8 841.5359 NA PeJP NA NA +PJ050535 ALLLKER C38H71N11O10 841.5386 NA PeJP NA NA +PJ050536 GLLLLKW C43H71N9O8 841.5426 NA PeJP NA NA +PJ050537 PLLLKKM C40H75N9O8S 841.546 NA PeJP NA NA +PJ050538 AKRRRR C33H67N19O7 841.5471 NA PeJP NA NA +PJ050539 ATLLLRR C37H71N13O9 841.5498 NA PeJP NA NA +PJ050540 AALKKRR C36H71N15O8 841.5611 NA PeJP NA NA +HMDB09603 PE(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C49H80NO8P 841.562134 NA HMDB2010 NA NA +HMDB09604 PE(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C49H80NO8P 841.562134 NA HMDB2010 NA NA +HMDB09636 PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) C49H80NO8P 841.562134 NA HMDB2010 NA NA +HMDB09669 PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) C49H80NO8P 841.562134 NA HMDB2010 NA NA +PJ050541 VLLLKKE C40H75N9O10 841.5637 NA PeJP NA NA +PJ050542 VKKRRR C35H71N17O7 841.5723 NA PeJP NA NA +PJ050543 SLLLLKR C39H75N11O9 841.575 NA PeJP NA NA +EUR693 PC(36:4) [M-H+acetate]- C44H80NO8P 841.583257 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR978 PC 36:4 [M-H+acetate]- C44H80NO8P 841.583257 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR693 PC(36:4) [M-H+acetate]- C44H80NO8P 841.583257 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR978 PC 36:4 [M-H+acetate]- C44H80NO8P 841.583257 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR693 PC(36:4) [M-H+acetate]- C44H80NO8P 841.583257 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR978 PC 36:4 [M-H+acetate]- C44H80NO8P 841.583257 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR693 PC(36:4) [M-H+acetate]- C44H80NO8P 841.583257 masses lipides attendues Inhousejuil11 NA NA +EUR978 PC 36:4 [M-H+acetate]- C44H80NO8P 841.583257 masses lipides attendues Inhousejuil11 NA NA +PJ050544 GLLKKKR C38H75N13O8 841.5862 NA PeJP NA NA +PJ050545 VVLKKKK C40H79N11O8 841.6113 NA PeJP NA NA +MJ095989 Manzamenone A; Valine amide (S-) C51H87NO8 841.643168 NA MeJP NA NA +HMDB08026 PC(16:1(9Z)/24:1(15Z)) C48H92NO8P 841.656067 NA HMDB2010 NA NA +HMDB08053 PC(18:0/22:2(13Z,16Z)) C48H92NO8P 841.656067 NA HMDB2010 NA NA +HMDB08085 PC(18:1(11Z)/22:1(13Z)) C48H92NO8P 841.656067 NA HMDB2010 NA NA +HMDB08118 PC(18:1(9Z)/22:1(13Z)) C48H92NO8P 841.656067 NA HMDB2010 NA NA +HMDB08150 PC(18:2(9Z,12Z)/22:0) C48H92NO8P 841.656067 NA HMDB2010 NA NA +HMDB08276 PC(20:0/20:2(11Z,14Z)) C48H92NO8P 841.656067 NA HMDB2010 NA NA +HMDB08308 PC(20:1(11Z)/20:1(11Z)) C48H92NO8P 841.656067 NA HMDB2010 NA NA +HMDB08340 PC(20:2(11Z,14Z)/20:0) C48H92NO8P 841.656067 NA HMDB2010 NA NA +HMDB08533 PC(22:0/18:2(9Z,12Z)) C48H92NO8P 841.656067 NA HMDB2010 NA NA +HMDB08564 PC(22:1(13Z)/18:1(9Z)) C48H92NO8P 841.656067 NA HMDB2010 NA NA +HMDB08595 PC(22:2(13Z,16Z)/18:0) C48H92NO8P 841.656067 NA HMDB2010 NA NA +HMDB08792 PC(24:1(15Z)/16:1(9Z)) C48H92NO8P 841.656067 NA HMDB2010 NA NA +HMDB11202 PC(22:1(13Z)/18:1(11Z)) C48H92NO8P 841.656067 NA HMDB2010 NA NA +MJ095990 2-Amino-6-octadecene-1,3,4-triol, N-(2R-Hydroxy-15Z-tetracosenoyl), 1-O-?-D-galactopyranoside C48H91NO10 841.664298 NA MeJP NA NA +MJ095991 Axinellamine A C22H23Br4ClN10O4 841.832577 NA MeJP NA NA +MJ095992 Aerothionin; Homologue, 2''-oxo C25H26Br4N4O9 841.843329 NA MeJP NA NA +PJ050546 CCCCCCCC C24H42N8O9S8 842.0841 NA PeJP NA NA +PJ050547 GCCCCCDH C27H42N10O11S5 842.1639 NA PeJP NA NA +PJ050548 PPCCCCCD C29H46N8O11S5 842.189 NA PeJP NA NA +MJ095993 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) C39H39O21(+) 842.190558 NA MeJP NA NA +MJ095994 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside), 7-O-[3,4-dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C39H39O21(+) 842.190558 NA MeJP NA NA +MJ095995 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) C39H39O21(+) 842.190558 NA MeJP NA NA +PJ050549 GCCCNNDD C27H42N10O15S3 842.1994 NA PeJP NA NA +PJ050550 GSCCCCMH C28H46N10O10S5 842.2002 NA PeJP NA NA +PJ050551 GSCCDDDE C28H42N8O18S2 842.2059 NA PeJP NA NA +PJ050552 GPCCCDDM C29H46N8O13S4 842.2068 NA PeJP NA NA +MJ095996 Populnin; 6''-O-Malonyl, 3-O-[?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C36H42O23 842.211687 NA MeJP NA NA +PJ050553 SSTCCCCH C28H46N10O12S4 842.218 NA PeJP NA NA +PJ050554 SCCDDDW C32H42N8O15S2 842.2211 NA PeJP NA NA +PJ050555 PCCCCEW C33H46N8O10S4 842.222 NA PeJP NA NA +PJ050556 SSSCDDDD C28H42N8O20S 842.2236 NA PeJP NA NA +PJ050557 CNDDDMM C29H46N8O15S3 842.2245 NA PeJP NA NA +PJ050558 SPPCCCCM C30H50N8O10S5 842.2254 NA PeJP NA NA +MJ095997 Antibiotic BE 7585A C37H46O20S 842.230314 NA MeJP NA NA +MJ095998 Rhodonocardin A C37H46O20S 842.230314 NA MeJP NA NA +PJ050559 CCCCQHF C32H46N10O9S4 842.2332 NA PeJP NA NA +PJ050560 GACCCCHF C32H46N10O9S4 842.2333 NA PeJP NA NA +PJ050561 GSCCNNDM C28H46N10O14S3 842.2357 NA PeJP NA NA +PJ050562 CCCDDER C28H46N10O14S3 842.2358 NA PeJP NA NA +MJ095999 Benanomicin B; 3'-Hydroxy, 11-O-de-Me, 4A-N-Me C39H42N2O19 842.238177 NA MeJP NA NA +MJ096000 Pradimicin FA 1; N4'-De-Me C39H42N2O19 842.238177 NA MeJP NA NA +PJ050563 CNDDDDF C32H42N8O17S 842.2389 NA PeJP NA NA +PJ050564 GCCDEMW C33H46N8O12S3 842.2398 NA PeJP NA NA +MJ096001 3,4',5,7-Tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan, 3'-(4-Hydroxy-3-methoxybenzoyl), 3-O-?-L-rhamnopyranoside C44H42O17 842.242199 NA MeJP NA NA +PJ050565 GSSCDDEM C29H46N8O17S2 842.2423 NA PeJP NA NA +PJ050566 GSPCCDMM C30H50N8O12S4 842.2431 NA PeJP NA NA +MJ096002 Aurantoside E C38H48Cl2N2O15 842.243174 NA MeJP NA NA +PJ050567 CCNDDHH C30H42N12O13S2 842.2436 NA PeJP NA NA +PJ050568 SCCCNQW C32H46N10O11S3 842.251 NA PeJP NA NA +PJ050569 SSSCCNNE C28H46N10O16S2 842.2535 NA PeJP NA NA +PJ050570 CCNNQMM C29H50N10O11S4 842.2544 NA PeJP NA NA +PJ050571 CCDMWW C37H46N8O9S3 842.255 NA PeJP NA NA +PJ050572 SNDDDDY C32H42N8O19 842.2567 NA PeJP NA NA +MJ096003 Hemsleyanoside D C48H42O14 842.257456 NA MeJP NA NA +MJ096004 Hemsleyanoside E C48H42O14 842.257456 NA MeJP NA NA +MJ096005 Miyabenol C, 3'-O-?-D-Glucopyranoside C48H42O14 842.257456 NA MeJP NA NA +PJ050573 SSCDDMW C33H46N8O14S2 842.2575 NA PeJP NA NA +PJ050574 PTCCCMW C34H50N8O9S4 842.2584 NA PeJP NA NA +PJ050575 SSSSDDDM C29H46N8O19S 842.26 NA PeJP NA NA +PJ050576 SNDDMMM C30H50N8O14S3 842.2609 NA PeJP NA NA +PJ050577 CCEYYY C38H46N6O12S2 842.2615 NA PeJP NA NA +PJ050578 PCCQMMM C31H54N8O9S5 842.2618 NA PeJP NA NA +PJ050579 GSPCCCHH C31H46N12O10S3 842.2622 NA PeJP NA NA +PJ050580 CCCNNMR C28H50N12O10S4 842.2656 NA PeJP NA NA +PJ050581 GSSSCCNW C32H46N10O13S2 842.2688 NA PeJP NA NA +PJ050582 CCCCKHF C33H50N10O8S4 842.2696 NA PeJP NA NA +PJ050583 GSSSSSCND C28H46N10O18S 842.2713 NA PeJP NA NA +PJ050584 SCCDEMR C29H50N10O13S3 842.2721 NA PeJP NA NA +PJ050585 GPCCDYW C37H46N8O11S2 842.2728 NA PeJP NA NA +PJ050586 PCCCMMR C30H54N10O8S5 842.273 NA PeJP NA NA +PJ050587 GNDDEMY C33H46N8O16S 842.2753 NA PeJP NA NA +PJ050588 GSCEMMW C34H50N8O11S3 842.2762 NA PeJP NA NA +PJ050589 ASSTCDEM C30H50N8O16S2 842.2786 NA PeJP NA NA +PJ050590 GSSSDEMM C30H50N8O16S2 842.2787 NA PeJP NA NA +PJ050591 NNNDDDH C30H42N12O17 842.2791 NA PeJP NA NA +PJ050592 GGGGGGDDDH C30H42N12O17 842.2792 NA PeJP NA NA +PJ050593 GNEMMMM C31H54N8O11S4 842.2795 NA PeJP NA NA +PJ050594 SCNDMHH C31H46N12O12S2 842.28 NA PeJP NA NA +PJ050595 GSSCCCQR C28H50N12O12S3 842.2834 NA PeJP NA NA +PJ050596 GCCNNFW C36H46N10O10S2 842.284 NA PeJP NA NA +PJ050597 GCDDDRY C32H46N10O15S 842.2865 NA PeJP NA NA +PJ050598 SCCCNKW C33H50N10O10S3 842.2874 NA PeJP NA NA +PJ050599 SSSSCNQM C29H50N10O15S2 842.2899 NA PeJP NA NA +PJ050600 NDDMYW C37H46N8O13S 842.2905 NA PeJP NA NA +PJ050601 GCDMMMR C30H54N10O10S4 842.2908 NA PeJP NA NA +PJ050602 SCMMWW C38H50N8O8S3 842.2914 NA PeJP NA NA +PJ050603 SSNDEEY C33H46N8O18 842.293 NA PeJP NA NA +PJ050604 SSSDMMW C34H50N8O13S2 842.2939 NA PeJP NA NA +PJ050605 NMMMMW C35H54N8O8S4 842.2948 NA PeJP NA NA +PJ050606 GTCCHHW C35H46N12O9S2 842.2952 NA PeJP NA NA +PJ050607 SSSSSEEM C30H50N8O18S 842.2964 NA PeJP NA NA +PJ050608 SSQEMMM C31H54N8O13S3 842.2973 NA PeJP NA NA +PJ050609 GSSSCEHH C31H46N12O14S 842.2978 NA PeJP NA NA +PJ050610 TCMYYY C39H50N6O11S2 842.2979 NA PeJP NA NA +PJ050611 PCCKMMM C32H58N8O8S5 842.2982 NA PeJP NA NA +PJ050612 GCQMMHH C32H50N12O9S3 842.2986 NA PeJP NA NA +PJ050613 SSSSCCNR C28H50N12O14S2 842.3011 NA PeJP NA NA +PJ050614 GSCNNYW C36H46N10O12S 842.3018 NA PeJP NA NA +PJ050615 CCCCQKR C29H54N12O9S4 842.302 NA PeJP NA NA +PJ050616 GSSSNNDY C32H46N10O17 842.3043 NA PeJP NA NA +PJ050617 SPCCDRY C33H50N10O12S2 842.3051 NA PeJP NA NA +PJ050618 GGGGGNMMY C33H50N10O12S2 842.3052 NA PeJP NA NA +PJ050619 GCEYWW C41H46N8O10S 842.3058 NA PeJP NA NA +PJ050620 GSSSSSSNM C29H50N10O17S 842.3076 NA PeJP NA NA +PJ050621 GSSDEYW C37H46N8O15 842.3083 NA PeJP NA NA +PJ050622 SSCEMMR C30H54N10O12S3 842.3085 NA PeJP NA NA +PJ050623 CNNNNQH C30H46N14O13S 842.309 NA PeJP NA NA +PJ050624 GSPCMYW C38H50N8O10S2 842.3092 NA PeJP NA NA +PJ050625 GCCMHHR C31H50N14O8S3 842.3099 NA PeJP NA NA +PJ050626 GSQEEMY C34H50N8O15S 842.3117 NA PeJP NA NA +PJ050627 GDYYYY C42H46N6O13 842.3123 NA PeJP NA NA +PJ050628 GSTMMMW C35H54N8O10S3 842.3125 NA PeJP NA NA +PJ050629 SSSCHHW C35H46N12O11S 842.313 NA PeJP NA NA +PJ050630 GSSTTEMM C31H54N8O15S2 842.315 NA PeJP NA NA +PJ050631 GDDDEHR C31H46N12O16 842.3155 NA PeJP NA NA +PJ050632 GDKMMMM C32H58N8O10S4 842.3159 NA PeJP NA NA +PJ050633 GCCNQRY C32H50N12O11S2 842.3164 NA PeJP NA NA +PJ050634 PCDHWW C40H46N10O9S 842.317 NA PeJP NA NA +PJ050635 NEEEHW C36H46N10O14 842.3195 NA PeJP NA NA +PJ050636 GGGGGGGDFY C36H46N10O14 842.3196 NA PeJP NA NA +PJ050637 GSSCCCKR C29H54N12O11S3 842.3198 NA PeJP NA NA +PJ050638 CCEFRW C37H50N10O9S2 842.3204 NA PeJP NA NA +PJ050639 CYWWW C45H46N8O7S 842.321 NA PeJP NA NA +PJ050640 GSDDMRY C33H50N10O14S 842.3229 NA PeJP NA NA +PJ050641 SSDYWW C41H46N8O12 842.3235 NA PeJP NA NA +PJ050642 NDDFFW C41H46N8O12 842.3236 NA PeJP NA NA +PJ050643 APCCMRY C34H54N10O9S3 842.3238 NA PeJP NA NA +PJ050644 ACMFWW C42H50N8O7S2 842.3244 NA PeJP NA NA +PJ050645 SSSSSSSSQ C29H50N10O19 842.3254 NA PeJP NA NA +PJ050646 SSSSCNKM C30H54N10O14S2 842.3263 NA PeJP NA NA +PJ050647 GSSNNNNH C30H46N14O15 842.3267 NA PeJP NA NA +PJ050648 GGGGGSSNNH C30H46N14O15 842.3268 NA PeJP NA NA +MJ096006 Mureidomycin A; 5'',6''-Dihydro C38H50N8O12S 842.326889 NA MeJP NA NA +PJ050649 SQEMYW C38H50N8O12S 842.3269 NA PeJP NA NA +PJ050650 GSMMMMR C31H58N10O9S4 842.3271 NA PeJP NA NA +PJ050651 GACCCKKM C31H58N10O9S4 842.3272 NA PeJP NA NA +PJ050652 STCCHHR C31H50N14O10S2 842.3276 NA PeJP NA NA +PJ050653 MMMHFF C39H54N8O7S3 842.3278 NA PeJP NA NA +PJ050654 CNHHFW C39H46N12O8S 842.3283 NA PeJP NA NA +PJ050655 SSTQEEY C34H50N8O17 842.3294 NA PeJP NA NA +PJ050656 SSTTMMW C35H54N8O12S2 842.3303 NA PeJP NA NA +PJ050657 DDDHRW C35H46N12O13 842.3308 NA PeJP NA NA +PJ050658 GMFYYY C43H50N6O10S 842.3309 NA PeJP NA NA +PJ050659 SSSTTTEM C31H54N8O17S 842.3328 NA PeJP NA NA +PJ050660 SSKEMMM C32H58N8O12S3 842.3337 NA PeJP NA NA +PJ050661 SSCNNRY C32H50N12O13S 842.3341 NA PeJP NA NA +PJ050662 GGGGAQEMH C32H50N12O13S 842.3342 NA PeJP NA NA +PJ050663 GEEHWW C40H46N10O11 842.3348 NA PeJP NA NA +PJ050664 PPCCMHR C33H54N12O8S3 842.335 NA PeJP NA NA +MJ096007 Terracinolide A C43H54O17 842.3361 NA MeJP NA NA +MJ096008 Urdamycin A; 4'''-Ketone C43H54O17 842.3361 NA MeJP NA NA +PJ050665 SCERYW C37H50N10O11S 842.3382 NA PeJP NA NA +PJ050666 CCCCKKR C30H58N12O8S4 842.3384 NA PeJP NA NA +PJ050667 SSTDDRY C33H50N10O16 842.3406 NA PeJP NA NA +PJ050668 SSSDERY C33H50N10O16 842.3407 NA PeJP NA NA +PJ050669 NEMMRY C34H54N10O11S2 842.3415 NA PeJP NA NA +PJ050670 GGGGAPPPCM C34H54N10O11S2 842.3416 NA PeJP NA NA +MJ096009 Avileurekanose A C36H58O22 842.341973 NA MeJP NA NA +PJ050671 SPNDHHH C34H46N14O12 842.342 NA PeJP NA NA +PJ050672 GTMYWW C42H50N8O9S 842.3422 NA PeJP NA NA +PJ050673 GSSSSSTCK C30H54N10O16S 842.344 NA PeJP NA NA +PJ050674 GSTTEYW C38H50N8O14 842.3447 NA PeJP NA NA +PJ050675 SSTMMMR C31H58N10O11S3 842.3449 NA PeJP NA NA +PJ050676 GNNDMHR C31H50N14O12S 842.3454 NA PeJP NA NA +PJ050677 VNMMYW C39H54N8O9S2 842.3455 NA PeJP NA NA +PJ050678 GGVMMYW C39H54N8O9S2 842.3456 NA PeJP NA NA +PJ050679 SNNHWW C39H46N12O10 842.346 NA PeJP NA NA +PJ050680 ATTQEMY C35H54N8O14S 842.348 NA PeJP NA NA +PJ050681 GSKEEMY C35H54N8O14S 842.3481 NA PeJP NA NA +PJ050682 ATYYYY C43H50N6O12 842.3487 NA PeJP NA NA +PJ050683 APCKMMY C36H58N8O9S3 842.3489 NA PeJP NA NA +PJ050684 NQQMHW C36H50N12O10S 842.3494 NA PeJP NA NA +PJ050685 EHWWW C44H46N10O8 842.35 NA PeJP NA NA +PJ050686 SSSSTLMM C32H58N8O14S2 842.3514 NA PeJP NA NA +PJ050687 GSEEEHR C32H50N12O15 842.3519 NA PeJP NA NA +PJ050688 ATKMMMM C33H62N8O9S4 842.3523 NA PeJP NA NA +PJ050689 CDMRRY C33H54N12O10S2 842.3528 NA PeJP NA NA +PJ050690 GNNQHHH C33H46N16O11 842.3532 NA PeJP NA NA +PJ050691 GGGGGQHHH C33H46N16O11 842.3533 NA PeJP NA NA +PJ050692 SPMHWW C41H50N10O8S 842.3534 NA PeJP NA NA +PJ050693 DKEEHW C37H50N10O13 842.3559 NA PeJP NA NA +PJ050694 GMMRYW C38H54N10O8S2 842.3568 NA PeJP NA NA +PJ050695 EHHHHF C38H46N14O9 842.3573 NA PeJP NA NA +PJ050696 GSTEMRY C34H54N10O13S 842.3593 NA PeJP NA NA +PJ050697 STTYWW C42H50N8O11 842.3599 NA PeJP NA NA +PJ050698 GGGPDFFF C42H50N8O11 842.36 NA PeJP NA NA +PJ050699 QMMMFR C35H58N10O8S3 842.3602 NA PeJP NA NA +PJ050700 CNQHRW C35H50N14O9S 842.3606 NA PeJP NA NA +PJ050701 SSSSSSSSK C30H54N10O18 842.3618 NA PeJP NA NA +PJ050702 SSSTCCKK C31H58N10O13S2 842.3627 NA PeJP NA NA +PJ050703 SSNNEHR C31H50N14O14 842.3631 NA PeJP NA NA +PJ050704 GGGGGGPNDR C31H50N14O14 842.3632 NA PeJP NA NA +PJ050705 SKEMYW C39H54N8O11S 842.3633 NA PeJP NA NA +PJ050706 CCCKKKM C32H62N10O8S4 842.3635 NA PeJP NA NA +PJ050707 GFFFYY C47H50N6O9 842.364 NA PeJP NA NA +PJ050708 SSTKEEY C35H54N8O16 842.3658 NA PeJP NA NA +PJ050709 AAKEMMY C36H58N8O11S2 842.3667 NA PeJP NA NA +PJ050710 GSTQQHW C36H50N12O12 842.3671 NA PeJP NA NA +PJ050711 SEEHRW C36H50N12O12 842.3672 NA PeJP NA NA +MJ096010 Pyridoxatin; Fe complex C45H60FeN3O9 842.367897 NA MeJP NA NA +PJ050712 STTTTTTM C32H58N8O16S 842.3692 NA PeJP NA NA +PJ050713 TTTKMMM C33H62N8O11S3 842.37 NA PeJP NA NA +PJ050714 AAEEMHR C33H54N12O12S 842.3705 NA PeJP NA NA +PJ050715 GGGGGGGPPCK C33H54N12O12S 842.3706 NA PeJP NA NA +PJ050716 SVEHWW C41H50N10O10 842.3712 NA PeJP NA NA +PJ050717 CMMFRR C34H58N12O7S3 842.3714 NA PeJP NA NA +PJ050718 GPCHHHR C34H50N16O8S 842.3719 NA PeJP NA NA +PJ050719 STMRYW C38H54N10O10S 842.3745 NA PeJP NA NA +PJ050720 GALEMHW C38H54N10O10S 842.3746 NA PeJP NA NA +PJ050721 AAFYWW C46H50N8O8 842.3752 NA PeJP NA NA +PJ050722 SSTTERY C34H54N10O15 842.377 NA PeJP NA NA +PJ050723 PPTDEER C34H54N10O15 842.3771 NA PeJP NA NA +PJ050724 DKMMRY C35H58N10O10S2 842.3779 NA PeJP NA NA +PJ050725 GSSNHRW C35H50N14O11 842.3784 NA PeJP NA NA +PJ050726 PCKFYW C43H54N8O8S 842.3786 NA PeJP NA NA +PJ050727 ATTTTYW C39H54N8O13 842.381 NA PeJP NA NA +PJ050728 SSSTLYW C39H54N8O13 842.3811 NA PeJP NA NA +PJ050729 ASNQMHR C32H54N14O11S 842.3817 NA PeJP NA NA +PJ050730 DEMHRR C32H54N14O11S 842.3818 NA PeJP NA NA +PJ050731 CLKMYW C40H58N8O8S2 842.3819 NA PeJP NA NA +PJ050732 QQHHFF C40H50N12O9 842.3824 NA PeJP NA NA +MJ096011 Respinomycin A1; 7-Deglycosyloxy C43H58N2O15 842.383719 NA MeJP NA NA +PJ050733 ATTKEMY C36H58N8O13S 842.3844 NA PeJP NA NA +PJ050734 GAPPLEEM C36H58N8O13S 842.3845 NA PeJP NA NA +PJ050735 GVKMMMF C37H62N8O8S3 842.3853 NA PeJP NA NA +PJ050736 VDMHRW C37H54N12O9S 842.3858 NA PeJP NA NA +PJ050737 APHFWW C45H50N10O7 842.3864 NA PeJP NA NA +PJ050738 ATTEEHR C33H54N12O14 842.3883 NA PeJP NA NA +PJ050739 SMMRRY C34H58N12O9S2 842.3891 NA PeJP NA NA +PJ050740 PVTCMHR C34H58N12O9S2 842.3892 NA PeJP NA NA +PJ050741 QEHHHR C34H50N16O10 842.3896 NA PeJP NA NA +PJ050742 ALMHWW C42H54N10O7S 842.3898 NA PeJP NA NA +PJ050743 GTTLEHW C38H54N10O12 842.3923 NA PeJP NA NA +PJ050744 GSCQHRR C31H54N16O10S 842.393 NA PeJP NA NA +PJ050745 VQHHHW C39H50N14O8 842.3936 NA PeJP NA NA +MJ096012 Thevetiogenin; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C41H62O18 842.393615 NA MeJP NA NA +PJ050746 GGLHHHW C39H50N14O8 842.3937 NA PeJP NA NA +3707 NA YPFGFRG 842.394 ACE inhibitor Inhouse_peptide NA peptide +PJ050747 SSSLMRY C35H58N10O12S 842.3957 NA PeJP NA NA +PJ050748 SPKYYW C43H54N8O10 842.3963 NA PeJP NA NA +PJ050749 KMMMFR C36H62N10O7S3 842.3965 NA PeJP NA NA +PJ050750 CNKHRW C36H54N14O8S 842.397 NA PeJP NA NA +PJ050751 GPNDERR C32H54N14O13 842.3995 NA PeJP NA NA +PJ050752 APPLEMW C40H58N8O10S 842.3997 NA PeJP NA NA +PJ050753 TTTTKEY C36H58N8O15 842.4022 NA PeJP NA NA +PJ050754 GTLKMMY C37H62N8O10S2 842.4031 NA PeJP NA NA +PJ050755 PQQERW C37H54N12O11 842.4035 NA PeJP NA NA +PJ050756 GGAAPERW C37H54N12O11 842.4036 NA PeJP NA NA +PJ050757 AHHHRW C38H50N16O7 842.4049 NA PeJP NA NA +PJ050758 GTLEMHR C34H58N12O11S 842.4069 NA PeJP NA NA +PJ050759 TTLHWW C42H54N10O9 842.4076 NA PeJP NA NA +PJ050760 SSSNHRR C31H54N16O12 842.4107 NA PeJP NA NA +PJ050761 GGSSSHRR C31H54N16O12 842.4108 NA PeJP NA NA +PJ050762 LKEMHW C39H58N10O9S 842.4109 NA PeJP NA NA +PJ050763 VHFFFF C47H54N8O7 842.4116 NA PeJP NA NA +PJ050764 TTTTTRY C35H58N10O14 842.4134 NA PeJP NA NA +PJ050765 GGGGPLKEE C35H58N10O14 842.4135 NA PeJP NA NA +PJ050766 ACCKKKY C36H62N10O9S2 842.4143 NA PeJP NA NA +PJ050767 PNDRRW C36H54N14O10 842.4148 NA PeJP NA NA +PJ050768 CLKFFW C44H58N8O7S 842.415 NA PeJP NA NA +PJ050769 LQKEYY C40H58N8O12 842.4174 NA PeJP NA NA +PJ050770 GPLLEEW C40H58N8O12 842.4175 NA PeJP NA NA +PJ050771 SPPCQRR C33H58N14O10S 842.4181 NA PeJP NA NA +PJ050772 GGPPTCRR C33H58N14O10S 842.4182 NA PeJP NA NA +PJ050773 APQRWW C41H54N12O8 842.4188 NA PeJP NA NA +PJ050774 STTLKMY C37H62N8O12S 842.4208 NA PeJP NA NA +PJ050775 TLMHRW C38H58N12O8S 842.4222 NA PeJP NA NA +PJ050776 STTLEHR C34H58N12O13 842.4247 NA PeJP NA NA +PJ050777 GVLMMHR C35H62N12O8S2 842.4255 NA PeJP NA NA +PJ050778 NNHFRR C35H54N16O9 842.426 NA PeJP NA NA +PJ050779 SSTLLHW C39H58N10O11 842.4287 NA PeJP NA NA +PJ050780 GSCKHRR C32H58N16O9S 842.4294 NA PeJP NA NA +MJ096013 1,3,11,22-Tetrahydroxyergosta-5,24-dien-26-oic acid, 26-O-[?-D-Glucopyranosyl-(1?2)-6-acetyl-?-D-glucopyranosyl] ester C42H66O17 842.43 NA MeJP NA NA +MJ096014 2,3,19-Trihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-?-D-glucopyranosyl ester C42H66O17 842.43 NA MeJP NA NA +MJ096015 2,3,27-Trihydroxy-12-oleanene-23,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H66O17 842.43 NA MeJP NA NA +MJ096016 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-lyxo-hexopyranoside] C42H66O17 842.43 NA MeJP NA NA +MJ096017 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C42H66O17 842.43 NA MeJP NA NA +MJ096018 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-L-arabino-hexopyranoside] C42H66O17 842.43 NA MeJP NA NA +MJ096019 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-L-ribo-hexopyranoside] C42H66O17 842.43 NA MeJP NA NA +MJ096020 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C42H66O17 842.43 NA MeJP NA NA +MJ096021 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-L-ribo-hexopyranoside] C42H66O17 842.43 NA MeJP NA NA +MJ096022 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-D-lyxo-hexopyranoside] C42H66O17 842.43 NA MeJP NA NA +PJ050781 VKHHHW C40H54N14O7 842.43 NA PeJP NA NA +PJ050782 SSCKKKY C36H62N10O11S 842.432 NA PeJP NA NA +PJ050783 PPTLEMR C36H62N10O11S 842.4321 NA PeJP NA NA +PJ050784 PLLEWW C44H58N8O9 842.4327 NA PeJP NA NA +PJ050785 PMHFRR C37H58N14O7S 842.4334 NA PeJP NA NA +PJ050786 GPTQERR C33H58N14O12 842.4359 NA PeJP NA NA +PJ050787 SPPLLMW C41H62N8O9S 842.4361 NA PeJP NA NA +PJ050788 LMMHRR C34H62N14O7S2 842.4368 NA PeJP NA NA +PJ050789 THHHRR C34H54N18O8 842.4372 NA PeJP NA NA +PJ050790 PVLKEEE C37H62N8O14 842.4386 NA PeJP NA NA +PJ050791 AAPPLLMM C38H66N8O9S2 842.4395 NA PeJP NA NA +PJ050792 PQKERW C38H58N12O10 842.4399 NA PeJP NA NA +PJ050793 SSLLMHR C35H62N12O10S 842.4433 NA PeJP NA NA +PJ050794 PVQKWW C43H58N10O8 842.4439 NA PeJP NA NA +PJ050795 GALLHFW C43H58N10O8 842.444 NA PeJP NA NA +PJ050796 GSPDRRR C32H58N16O11 842.4471 NA PeJP NA NA +PJ050797 GGGGGVQRR C32H58N16O11 842.4472 NA PeJP NA NA +PJ050798 GPPKKMW C40H62N10O8S 842.4473 NA PeJP NA NA +PJ050799 SPLLEER C36H62N10O13 842.4498 NA PeJP NA NA +PJ050800 PPVLMMR C37H66N10O8S2 842.4507 NA PeJP NA NA +MJ096023 11-Hydroxyhexadecanoic acid, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-?-D-xylopyranoside] C39H70O19 842.45113 NA MeJP NA NA +PJ050801 PTQRRW C37H58N14O9 842.4512 NA PeJP NA NA +PJ050802 SPVLLEW C41H62N8O11 842.4538 NA PeJP NA NA +PJ050803 AAPPVLEF C41H62N8O11 842.4539 NA PeJP NA NA +PJ050804 GPVQMRR C34H62N14O9S 842.4545 NA PeJP NA NA +PJ050805 APKRWW C42H58N12O7 842.4552 NA PeJP NA NA +PJ050806 PLLLQEM C38H66N8O11S 842.4572 NA PeJP NA NA +PJ050807 NNQRRR C31H58N18O10 842.4584 NA PeJP NA NA +PJ050808 SPVQKER C35H62N12O12 842.461 NA PeJP NA NA +PJ050809 GPKKEER C35H62N12O12 842.4611 NA PeJP NA NA +PJ050810 GPVKKEW C40H62N10O10 842.4651 NA PeJP NA NA +PJ050811 PQMRRR C33H62N16O8S 842.4658 NA PeJP NA NA +MJ096024 16,23-Epoxycycloartane-3,15,16,24,25-pentol, 24-Ac, 3-O-?-D-xylopyranoside, 15-O-?-D-glucopyranoside C43H70O16 842.466386 NA MeJP NA NA +MJ096025 16,23-Epoxycycloartane-3,15,16,24,25-pentol, 24-Ac, 3-O-?-L-arabinopyranoside, 15-O-?-D-glucopyranoside C43H70O16 842.466386 NA MeJP NA NA +MJ096026 16,23-Epoxycycloartane-3,15,16,24,25-pentol, 24-Ac, 3-O-?-D-lyxopyranoside, 15-O-?-D-glucopyranoside C43H70O16 842.466386 NA MeJP NA NA +MJ096027 16,23-Epoxycycloartane-3,15,16,24,25-pentol, 24-Ac, 3-O-?-D-xylopyranoside, 15-O-?-D-glucopyranoside C43H70O16 842.466386 NA MeJP NA NA +MJ096028 Spirostan-3-ol, 3-O-[?-L-Arabinopyranosyl-(1?6)-[?-D-xylopyranosyl-(1?4)]-?-D-glucopyranoside] C43H70O16 842.466386 NA MeJP NA NA +MJ096029 Spirostane-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-xylopyranoside] C43H70O16 842.466386 NA MeJP NA NA +PJ050812 TTLLKMH C37H66N10O10S 842.4684 NA PeJP NA NA +PJ050813 PVVLEMR C37H66N10O10S 842.4685 NA PeJP NA NA +PJ050814 APPLLFW C45H62N8O8 842.4691 NA PeJP NA NA +PJ050815 GPTKERR C34H62N14O11 842.4723 NA PeJP NA NA +PJ050816 APLLLMW C42H66N8O8S 842.4725 NA PeJP NA NA +PJ050817 VLLLQEE C38H66N8O13 842.475 NA PeJP NA NA +PJ050818 PKKERW C39H62N12O9 842.4763 NA PeJP NA NA +PJ050819 PCRRRR C32H62N18O7S 842.477 NA PeJP NA NA +PJ050820 SPPKKMR C36H66N12O9S 842.4797 NA PeJP NA NA +PJ050821 PVKKWW C44H62N10O7 842.4803 NA PeJP NA NA +PJ050822 VQERRR C33H62N16O10 842.4835 NA PeJP NA NA +PJ050823 ALLLEER C37H66N10O12 842.4862 NA PeJP NA NA +PJ050824 PTKRRW C38H62N14O8 842.4875 NA PeJP NA NA +PJ050825 GGVLRRW C38H62N14O8 842.4876 NA PeJP NA NA +PJ050826 GLLLLEW C42H66N8O10 842.4902 NA PeJP NA NA +PJ050827 GPVKMRR C35H66N14O8S 842.4909 NA PeJP NA NA +PJ050828 PLLLKEM C39H70N8O10S 842.4936 NA PeJP NA NA +PJ050829 AERRRR C32H62N18O9 842.4948 NA PeJP NA NA +PJ050830 SPVKKER C36H66N12O11 842.4974 NA PeJP NA NA +PJ050831 GGAILKER C36H66N12O11 842.4975 NA PeJP NA NA +PJ050832 GLRRRW C37H62N16O7 842.4988 NA PeJP NA NA +PJ050833 APTLKKW C41H66N10O9 842.5015 NA PeJP NA NA +PJ050834 PKMRRR C34H66N16O7S 842.5022 NA PeJP NA NA +MJ096030 20,24-Epoxydammarane-3,6,12,25-tetrol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] C44H74O15 842.502771 NA MeJP NA NA +PJ050835 PTLLLMR C38H70N10O9S 842.5048 NA PeJP NA NA +PJ050836 LLLLWW C46H66N8O7 842.5055 NA PeJP NA NA +PJ050837 AALKERR C35H66N14O10 842.5087 NA PeJP NA NA +PJ050838 SSPTIILL C39H70N8O12 842.5113 NA PeJP NA NA +PJ050839 VLLLKEE C39H70N8O12 842.5114 NA PeJP NA NA +PJ050840 LLQKRW C40H66N12O8 842.5127 NA PeJP NA NA +MJ096031 Foromacidin A C43H74N2O14 842.514005 NA MeJP NA NA +PJ050841 APLKKMR C37H70N12O8S 842.5161 NA PeJP NA NA +PJ050842 VKERRR C34H66N16O9 842.5199 NA PeJP NA NA +PJ050843 SLLLLER C38H70N10O11 842.5226 NA PeJP NA NA +PJ050844 VVKRRW C39H66N14O7 842.5239 NA PeJP NA NA +PJ050845 SVLLLLW C43H70N8O9 842.5266 NA PeJP NA NA +PJ050846 LLLLLQM C40H74N8O9S 842.53 NA PeJP NA NA +PJ050847 SLRRRR C33H66N18O8 842.5311 NA PeJP NA NA +PJ050848 GLLKKER C37H70N12O10 842.5338 NA PeJP NA NA +PJ050849 AVVLKKW C42H70N10O8 842.5378 NA PeJP NA NA +PJ050850 GVLLKKW C42H70N10O8 842.5379 NA PeJP NA NA +MJ096032 Portmicin; 12-Methyl C45H78O14 842.539157 NA MeJP NA NA +PJ050851 VVLLLMR C39H74N10O8S 842.5412 NA PeJP NA NA +PJ050852 GTLLKRR C36H70N14O9 842.5451 NA PeJP NA NA +PJ050853 GTTLLLLL C40H74N8O11 842.5477 NA PeJP NA NA +PJ050854 LLKKRW C41H70N12O7 842.5491 NA PeJP NA NA +PJ050855 QKKKRR C35H70N16O8 842.5563 NA PeJP NA NA +PJ050856 VVLKKKE C39H74N10O10 842.559 NA PeJP NA NA +PJ050857 PLLLLKF C44H74N8O8 842.563 NA PeJP NA NA +PJ050858 LLLLLKM C41H78N8O8S 842.5664 NA PeJP NA NA +PJ050859 SVLLKKR C38H74N12O9 842.5702 NA PeJP NA NA +PJ050860 GVKKKKR C37H74N14O8 842.5814 NA PeJP NA NA +PJ050861 KKKKRR C36H74N16O7 842.5927 NA PeJP NA NA +PJ050862 TLLLKKK C40H78N10O9 842.5954 NA PeJP NA NA +PJ050863 ALKKKKK C39H78N12O8 842.6066 NA PeJP NA NA +EUR1113 SM(d18:1/22:3) [M-H+acetate]- C45H87N2O6P 842.651276 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1113 SM(d18:1/22:3) [M-H+acetate]- C45H87N2O6P 842.651276 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1113 SM(d18:1/22:3) [M-H+acetate]- C45H87N2O6P 842.651276 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1113 SM(d18:1/22:3) [M-H+acetate]- C45H87N2O6P 842.651276 masses lipides attendues Inhousejuil11 NA NA +MJ096033 Amphicerebrosides; Amphicerebroside B C48H94N2O9 842.695932 NA MeJP NA NA +MJ096034 Amphicerebrosides; Amphicerebroside C C48H94N2O9 842.695932 NA MeJP NA NA +HMDB11701 TG(15:0/16:0/20:3(8Z,11Z,14Z))[iso6] C54H98O6 842.736328 NA HMDB2010 NA NA +HMDB11704 TG(15:0/18:0/18:3(9Z,12Z,15Z))[iso6] C54H98O6 842.736328 NA HMDB2010 NA NA +HMDB11708 TG(15:0/18:1(9Z)/18:2(9Z,12Z))[iso6] C54H98O6 842.736328 NA HMDB2010 NA NA +3930 aurein 2,4 GLFDIVKKVVGTIAGLG 842.9954 MH2+ Inhouse_peptide NA peptide +3934 aurein 2,6, GLFDIAKKVIGVIGSLG 842.99595 MH2+ Inhouse_peptide NA peptide +5472 aurein 2,6 GLFDIAKKVIGVIGSLG 842.99595 MH2+ Inhouse_peptide NA peptide +PJ050864 GCCCNDDD C27H41N9O16S3 843.1834 NA PeJP NA NA +PJ050865 CCCCCFY C33H45N7O9S5 843.1883 NA PeJP NA NA +FL7AAAGL0036 Monodemalonylsalvianin C39H39O21 843.19838 128508-43-0 knapsack NA NA +FL7AAAGL0040 Pelargonidin 3-(6''-malonylglucoside)-7-(6'''-caffeylglucoside) C39H39O21 843.19838 165070-67-7 knapsack NA NA +FL7AACGL0053 Malonylshisonin C39H39O21 843.19838 129932-00-9 knapsack NA NA +MetaCyc04178 monodemalonylsalvianin [4'''-demalonylsalvianin;] C39H39O21 843.198383 NA metacyc NA NA +C12641 4'''-Demalonylsalvianin C39H39O21 843.1984 NA KEGG NA NA +C16299 Malonylshisonin C39H39O21 843.1984 NA KEGG NA NA +PJ050866 SPCCCCND C28H45N9O13S4 843.202 NA PeJP NA NA +PJ050867 SCCCCYY C33H45N7O11S4 843.206 NA PeJP NA NA +PJ050868 CDDDDMM C29H45N7O16S3 843.2085 NA PeJP NA NA +PJ050869 GCCCCNNQ C27H45N11O12S4 843.2132 NA PeJP NA NA +PJ050870 GGGGGCCCCQ C27H45N11O12S4 843.2133 NA PeJP NA NA +PJ050871 CCCCEHF C32H45N9O10S4 843.2173 NA PeJP NA NA +PJ050872 GSCCNDDM C28H45N9O15S3 843.2198 NA PeJP NA NA +PJ050873 GPCCCCQM C29H49N9O10S5 843.2206 NA PeJP NA NA +MJ096035 Benanomicin A; 12-Hydroxy C39H41NO20 843.222192 NA MeJP NA NA +MJ096036 Benanomicin A; 7-Hydroxy C39H41NO20 843.222192 NA MeJP NA NA +PJ050874 CDDDDDF C32H41N7O18S 843.2229 NA PeJP NA NA +PJ050875 CCDDDHH C30H41N11O14S2 843.2276 NA PeJP NA NA +PJ050876 SSCCCNNN C27H45N11O14S3 843.231 NA PeJP NA NA +PJ050877 GPCCCCCR C28H49N11O9S5 843.2319 NA PeJP NA NA +PJ050878 SCCCNEW C32H45N9O12S3 843.235 NA PeJP NA NA +PJ050879 SSSCCNDE C28H45N9O17S2 843.2375 NA PeJP NA NA +PJ050880 CCNNEMM C29H49N9O12S4 843.2384 NA PeJP NA NA +C11438 C-1027 Chromophore C43H42ClN3O13 843.2406 NA KEGG NA NA +C11439 Formyl-L-methionyl peptide C12H17N4O6SR3 843.2406 NA KEGG NA NA +C11440 Methionyl peptide C11H17N4O5SR3 843.2406 NA KEGG NA NA +PJ050881 SDDDDDY C32H41N7O20 843.2407 NA PeJP NA NA +PJ050882 PCCDDEY C33H45N7O15S2 843.2415 NA PeJP NA NA +PJ050883 SDDDMMM C30H49N7O15S3 843.2449 NA PeJP NA NA +PJ050884 PCCEMMM C31H53N7O10S5 843.2458 NA PeJP NA NA +PJ050885 CCCNDMR C28H49N11O11S4 843.2496 NA PeJP NA NA +PJ050886 GSCCCWW C36H45N9O9S3 843.2503 NA PeJP NA NA +PJ050887 GSSSCCDW C32H45N9O14S2 843.2528 NA PeJP NA NA +PJ050888 GCCNMMW C33H49N9O9S4 843.2536 NA PeJP NA NA +PJ050889 GGGCCMMW C33H49N9O9S4 843.2537 NA PeJP NA NA +PJ050890 GSSSSSCDD C28H45N9O19S 843.2553 NA PeJP NA NA +PJ050891 GSSCNDMM C29H49N9O14S3 843.2561 NA PeJP NA NA +PJ050892 GGGSSCDMM C29H49N9O14S3 843.2562 NA PeJP NA NA +PJ050893 GPCCCCKM C30H53N9O9S5 843.257 NA PeJP NA NA +PJ050894 CCCNQHH C30H45N13O10S3 843.2575 NA PeJP NA NA +PJ050895 GDDDEMY C33H45N7O17S 843.2593 NA PeJP NA NA +PJ050896 PCCDEMF C34H49N7O12S3 843.2602 NA PeJP NA NA +PJ050897 NNDDDDH C30H41N11O18 843.2631 NA PeJP NA NA +PJ050898 GGNDDDDH C30H41N11O18 843.2632 NA PeJP NA NA +PJ050899 GDEMMMM C31H53N7O12S4 843.2635 NA PeJP NA NA +PJ050900 CCNNNNY C31H45N11O13S2 843.264 NA PeJP NA NA +PJ050901 ACCCCRW C32H49N11O8S4 843.2649 NA PeJP NA NA +PJ050902 GSSCCCER C28H49N11O13S3 843.2674 NA PeJP NA NA +PJ050903 GCCNDFW C36H45N9O11S2 843.268 NA PeJP NA NA +PJ050904 SCNNDEY C32H45N9O16S 843.2705 NA PeJP NA NA +PJ050905 SSCCQMW C33H49N9O11S3 843.2714 NA PeJP NA NA +PJ050906 SSSSCNEM C29H49N9O16S2 843.2739 NA PeJP NA NA +PJ050907 DDDMYW C37H45N7O14S 843.2746 NA PeJP NA NA +PJ050908 SCNQMMM C30H53N9O11S4 843.2748 NA PeJP NA NA +PJ050909 GSSCCNHH C30H45N13O12S2 843.2752 NA PeJP NA NA +PJ050910 GGGSSCCHH C30H45N13O12S2 843.2753 NA PeJP NA NA +PJ050911 STDDDEY C33H45N7O19 843.277 NA PeJP NA NA +PJ050912 SSDDEEY C33H45N7O19 843.2771 NA PeJP NA NA +PJ050913 SPCDEMY C34H49N7O14S2 843.2779 NA PeJP NA NA +PJ050914 DMMMMW C35H53N7O9S4 843.2788 NA PeJP NA NA +PJ050915 SSEEMMM C31H53N7O14S3 843.2813 NA PeJP NA NA +PJ050916 GSPCNDDH C31H45N11O15S 843.2818 NA PeJP NA NA +PJ050917 PTCMMMM C32H57N7O9S5 843.2822 NA PeJP NA NA +PJ050918 SSCCCRW C32H49N11O10S3 843.2826 NA PeJP NA NA +PJ050919 GGAPPCCCH C32H49N11O10S3 843.2827 NA PeJP NA NA +PJ050920 SSSSCCDR C28H49N11O15S2 843.2851 NA PeJP NA NA +PJ050921 GSCNDYW C36H45N9O13S 843.2858 NA PeJP NA NA +PJ050922 SCCNMMR C29H53N11O10S4 843.286 NA PeJP NA NA +PJ050923 GCCMHFF C37H49N9O8S3 843.2867 NA PeJP NA NA +PJ050924 GSSSNDDY C32H45N9O18 843.2883 NA PeJP NA NA +PJ050925 ACCQQEY C33H49N9O13S2 843.2891 NA PeJP NA NA +PJ050926 GSSSSCMW C33H49N9O13S2 843.2892 NA PeJP NA NA +PJ050927 ACCCKMW C34H53N9O8S4 843.29 NA PeJP NA NA +PJ050928 ASSSSSSCE C29H49N9O18S 843.2916 NA PeJP NA NA +PJ050929 GSSSSSSDM C29H49N9O18S 843.2917 NA PeJP NA NA +PJ050930 GPDDDYY C37H45N7O16 843.2923 NA PeJP NA NA +PJ050931 GSSSNMMM C30H53N9O13S3 843.2925 NA PeJP NA NA +PJ050932 CNNNNEH C30H45N13O14S 843.293 NA PeJP NA NA +PJ050933 DDMMFW C38H49N7O11S2 843.2932 NA PeJP NA NA +PJ050934 CCCNKHH C31H49N13O9S3 843.2939 NA PeJP NA NA +PJ050935 GSEEEMY C34H49N7O16S 843.2957 NA PeJP NA NA +PJ050936 GPDMMMY C35H53N7O11S3 843.2966 NA PeJP NA NA +PJ050937 GCDEHHF C35H45N11O12S 843.297 NA PeJP NA NA +PJ050938 TCCCCRR C28H53N13O9S4 843.2972 NA PeJP NA NA +PJ050939 CMMHHW C36H49N11O7S3 843.2979 NA PeJP NA NA +PJ050940 SNNDEEH C31H45N11O17 843.2995 NA PeJP NA NA +PJ050941 ATEMMMM C32H57N7O11S4 843.2999 NA PeJP NA NA +PJ050942 GCCNERY C32H49N11O12S2 843.3004 NA PeJP NA NA +PJ050943 ACCHHHH C33H45N15O8S2 843.3017 NA PeJP NA NA +PJ050944 DEEEHW C36H45N9O15 843.3035 NA PeJP NA NA +PJ050945 GGGNDDFY C36H45N9O15 843.3036 NA PeJP NA NA +PJ050946 GSSTCCMR C29H53N11O12S3 843.3038 NA PeJP NA NA +PJ050947 CNQMYW C37H49N9O10S2 843.3044 NA PeJP NA NA +PJ050948 SSSSSTCW C33H49N9O15S 843.3069 NA PeJP NA NA +PJ050949 DDDFFW C41H45N7O13 843.3076 NA PeJP NA NA +PJ050950 SSCCKMW C34H53N9O10S3 843.3078 NA PeJP NA NA +PJ050951 GCNNNHW C34H45N13O11S 843.3083 NA PeJP NA NA +PJ050952 SSSSSSSSE C29H49N9O20 843.3094 NA PeJP NA NA +PJ050953 SSSSSQMM C30H53N9O15S2 843.3103 NA PeJP NA NA +PJ050954 GSSNNNDH C30H45N13O16 843.3108 NA PeJP NA NA +PJ050955 SEEMYW C38H49N7O13S 843.3109 NA PeJP NA NA +PJ050956 SCNKMMM C31H57N9O10S4 843.3111 NA PeJP NA NA +PJ050957 GGSCKMMM C31H57N9O10S4 843.3112 NA PeJP NA NA +PJ050958 PCCNDHR C31H49N13O11S2 843.3116 NA PeJP NA NA +PJ050959 PPCCMFF C39H53N7O8S3 843.3118 NA PeJP NA NA +PJ050960 CDHHFW C39H45N11O9S 843.3123 NA PeJP NA NA +PJ050961 SSTEEEY C34H49N7O18 843.3134 NA PeJP NA NA +PJ050962 PPDEEEE C34H49N7O18 843.3135 NA PeJP NA NA +PJ050963 AAEEMMY C35H53N7O13S2 843.3143 NA PeJP NA NA +PJ050964 GSNDEHW C35H45N11O14 843.3148 NA PeJP NA NA +PJ050965 GPMMMMF C36H57N7O8S4 843.3152 NA PeJP NA NA +PJ050966 CCNRYW C36H49N11O9S2 843.3156 NA PeJP NA NA +PJ050967 GGCCRYW C36H49N11O9S2 843.3157 NA PeJP NA NA +PJ050968 TTTEMMM C32H57N7O13S3 843.3177 NA PeJP NA NA +PJ050969 SSCNDRY C32H49N11O14S 843.3181 NA PeJP NA NA +PJ050970 GGSSCDRY C32H49N11O14S 843.3182 NA PeJP NA NA +PJ050971 CCLLMMM C33H61N7O8S5 843.3185 NA PeJP NA NA +PJ050972 GLMMMMM C33H61N7O8S5 843.3186 NA PeJP NA NA +PJ050973 GCCQMFR C33H53N11O9S3 843.319 NA PeJP NA NA +PJ050974 SSCHHHH C33H45N15O10S 843.3195 NA PeJP NA NA +PJ050975 SSSSSCMR C29H53N11O14S2 843.3215 NA PeJP NA NA +PJ050976 GSSNMYW C37H49N9O12S 843.3222 NA PeJP NA NA +PJ050977 TCCCKMR C30H57N11O9S4 843.3224 NA PeJP NA NA +PJ050978 GSSSSQEY C33H49N9O17 843.3247 NA PeJP NA NA +PJ050979 DEMMRY C34H53N9O12S2 843.3255 NA PeJP NA NA +PJ050980 GGGGATMMY C34H53N9O12S2 843.3256 NA PeJP NA NA +PJ050981 SPDDHHH C34H45N13O13 843.326 NA PeJP NA NA +PJ050982 PCEFYW C42H49N7O10S 843.3262 NA PeJP NA NA +PJ050983 GSSSSSTTM C30H53N9O17S 843.328 NA PeJP NA NA +PJ050984 GSPEEYY C38H49N7O15 843.3287 NA PeJP NA NA +PJ050985 GSSTCKMM C31H57N9O12S3 843.3289 NA PeJP NA NA +PJ050986 GNDDMHR C31H49N13O13S 843.3294 NA PeJP NA NA +PJ050987 VDMMYW C39H53N7O10S2 843.3296 NA PeJP NA NA +PJ050988 SNDHWW C39H45N11O11 843.33 NA PeJP NA NA +PJ050989 GCCCFRR C32H53N13O8S3 843.3303 NA PeJP NA NA +PJ050990 ATTEEMY C35H53N7O15S 843.3321 NA PeJP NA NA +PJ050991 APTMMMY C36H57N7O10S3 843.3329 NA PeJP NA NA +PJ050992 NQEMHW C36H49N11O11S 843.3334 NA PeJP NA NA +PJ050993 SSQQEEH C32H49N11O16 843.3359 NA PeJP NA NA +PJ050994 STLMMMM C33H61N7O10S4 843.3363 NA PeJP NA NA +PJ050995 GSCQMRY C33H53N11O11S2 843.3368 NA PeJP NA NA +PJ050996 GNNEHHH C33H45N15O12 843.3373 NA PeJP NA NA +PJ050997 CNQFFW C41H49N9O9S 843.3374 NA PeJP NA NA +PJ050998 SSSSQYW C37H49N9O14 843.3399 NA PeJP NA NA +PJ050999 SCNNNHR C30H49N15O12S 843.3406 NA PeJP NA NA +PJ051000 CNKMYW C38H53N9O9S2 843.3408 NA PeJP NA NA +PJ051001 SSNDKMY C34H53N9O14S 843.3433 NA PeJP NA NA +PJ051002 SPEYYW C42H49N7O12 843.3439 NA PeJP NA NA +PJ051003 AEEFYW C42H49N7O12 843.344 NA PeJP NA NA +PJ051004 PCCCKKY C35H57N9O9S3 843.3442 NA PeJP NA NA +PJ051005 CNEHRW C35H49N13O10S 843.3446 NA PeJP NA NA +PJ051006 GGCEHRW C35H49N13O10S 843.3447 NA PeJP NA NA +PJ051007 SSSSSSTTT C30H53N9O19 843.3458 NA PeJP NA NA +PJ051008 SSSSSKMM C31H57N9O14S2 843.3467 NA PeJP NA NA +PJ051009 SSNDEHR C31H49N13O15 843.3471 NA PeJP NA NA +PJ051010 GGSSDEHR C31H49N13O15 843.3472 NA PeJP NA NA +PJ051011 AAPEMYY C39H53N7O12S 843.3473 NA PeJP NA NA +PJ051012 TCCKKMM C32H61N9O9S4 843.3475 NA PeJP NA NA +PJ051013 GSCCRRY C32H53N13O10S2 843.348 NA PeJP NA NA +PJ051014 VMMMFW C40H57N7O7S3 843.3482 NA PeJP NA NA +PJ051015 GQMHWW C40H49N11O8S 843.3487 NA PeJP NA NA +PJ051016 TTTTEEY C35H53N7O17 843.3498 NA PeJP NA NA +PJ051017 GTLEMMY C36H57N7O12S2 843.3507 NA PeJP NA NA +PJ051018 GSTQEHW C36H49N11O13 843.3512 NA PeJP NA NA +PJ051019 APCCKHW C37H53N11O8S2 843.352 NA PeJP NA NA +PJ051020 NNHHHW C37H45N15O9 843.3525 NA PeJP NA NA +PJ051021 SSSNMRY C33H53N11O13S 843.3545 NA PeJP NA NA +PJ051022 GGPPDDMR C33H53N11O13S 843.3546 NA PeJP NA NA +PJ051023 GSPPDWW C41H49N9O11 843.3552 NA PeJP NA NA +PJ051024 GCCKMFR C34H57N11O8S3 843.3554 NA PeJP NA NA +PJ051025 QQQMFY C38H53N9O11S 843.3585 NA PeJP NA NA +PJ051026 GSTCKYW C38H53N9O11S 843.3586 NA PeJP NA NA +PJ051027 GCHRWW C39H49N13O7S 843.3599 NA PeJP NA NA +PJ051028 GSSTTTQY C34H53N9O16 843.361 NA PeJP NA NA +PJ051029 GSSSSKEY C34H53N9O16 843.3611 NA PeJP NA NA +PJ051030 GSQKMMY C35H57N9O11S2 843.3619 NA PeJP NA NA +PJ051031 GSSDHRW C35H49N13O12 843.3624 NA PeJP NA NA +PJ051032 PCLYYW C43H53N7O9S 843.3626 NA PeJP NA NA +PJ051033 LQEEYY C39H53N7O14 843.3651 NA PeJP NA NA +PJ051034 GSQEMHR C32H53N13O12S 843.3658 NA PeJP NA NA +PJ051035 TLMMYW C40H57N7O9S2 843.3659 NA PeJP NA NA +PJ051036 GPVMMFY C40H57N7O9S2 843.366 NA PeJP NA NA +PJ051037 STQHWW C40H49N11O10 843.3664 NA PeJP NA NA +PJ051038 STTLEMY C36H57N7O14S 843.3684 NA PeJP NA NA +PJ051039 PPLEEEM C36H57N7O14S 843.3685 NA PeJP NA NA +PJ051040 GVLMMMY C37H61N7O9S3 843.3693 NA PeJP NA NA +PJ051041 GPPCERW C37H53N11O10S 843.3698 NA PeJP NA NA +PJ051042 GSSSSTRY C33H53N11O15 843.3723 NA PeJP NA NA +PJ051043 GSCKMRY C34H57N11O10S2 843.3732 NA PeJP NA NA +PJ051044 EEHHHR C34H49N15O11 843.3736 NA PeJP NA NA +PJ051045 GGGDKHHH C34H49N15O11 843.3737 NA PeJP NA NA +PJ051046 PPQMWW C42H53N9O8S 843.3738 NA PeJP NA NA +PJ051047 SSSSKYW C38H53N9O13 843.3763 NA PeJP NA NA +PJ051048 GSCEHRR C31H53N15O11S 843.377 NA PeJP NA NA +PJ051049 PMMFRY C39H57N9O8S2 843.3772 NA PeJP NA NA +PJ051050 VEHHHW C39H49N13O9 843.3777 NA PeJP NA NA +PJ051051 SSTQKMY C35H57N9O13S 843.3797 NA PeJP NA NA +PJ051052 ALEYYW C43H53N7O11 843.3803 NA PeJP NA NA +PJ051053 LMMMRY C36H61N9O8S3 843.3806 NA PeJP NA NA +PJ051054 SQMHRW C36H53N13O9S 843.381 NA PeJP NA NA +PJ051055 AHHFFW C44H49N11O7 843.3817 NA PeJP NA NA +PJ051056 GPDDERR C32H53N13O14 843.3835 NA PeJP NA NA +PJ051057 GGGGGGPTER C32H53N13O14 843.3836 NA PeJP NA NA +PJ051058 GPTLMYY C40H57N7O11S 843.3837 NA PeJP NA NA +PJ051059 AAQMMHR C33H57N13O9S2 843.3844 NA PeJP NA NA +PJ051060 GSNHHHR C33H49N17O10 843.3849 NA PeJP NA NA +PJ051061 PPCRWW C41H53N11O7S 843.3851 NA PeJP NA NA +PJ051062 PVLEEEE C36H57N7O16 843.3862 NA PeJP NA NA +PJ051063 SSLLMMY C37H61N7O11S2 843.3871 NA PeJP NA NA +PJ051064 ASSKEHW C37H53N11O12 843.3875 NA PeJP NA NA +PJ051065 PQEERW C37H53N11O12 843.3876 NA PeJP NA NA +PJ051066 SSTCKRY C34H57N11O12S 843.3909 NA PeJP NA NA +PJ051067 GGGGGGAAPLM C34H57N11O12S 843.391 NA PeJP NA NA +PJ051068 PVQEWW C42H53N9O10 843.3916 NA PeJP NA NA +PJ051069 SCHRRW C35H53N15O8S 843.3923 NA PeJP NA NA +PJ051070 SSSDHRR C31H53N15O13 843.3948 NA PeJP NA NA +PJ051071 GPPKEMW C39H57N9O10S 843.3949 NA PeJP NA NA +PJ051072 GGSPPLMW C39H57N9O10S 843.395 NA PeJP NA NA +PJ051073 PTFFFW C47H53N7O8 843.3956 NA PeJP NA NA +MJ096037 Proglumetacin C46H58ClN5O8 843.397391 NA MeJP NA NA +PJ051074 GSSTTTKY C35H57N9O15 843.3974 NA PeJP NA NA +PJ051075 PVNKEEE C35H57N9O15 843.3975 NA PeJP NA NA +PJ051076 GSKKMMY C36H61N9O10S2 843.3983 NA PeJP NA NA +PJ051077 PDDRRW C36H53N13O11 843.3988 NA PeJP NA NA +PJ051078 VVMFYW C44H57N7O8S 843.399 NA PeJP NA NA +PJ051079 SPTTLYY C40H57N7O13 843.4014 NA PeJP NA NA +PJ051080 LKEEYY C40H57N7O13 843.4015 NA PeJP NA NA +PJ051081 ATTQMHR C33H57N13O11S 843.4021 NA PeJP NA NA +PJ051082 SPPCERR C33H57N13O11S 843.4022 NA PeJP NA NA +PJ051083 GVLMMFF C41H61N7O8S2 843.4023 NA PeJP NA NA +PJ051084 APERWW C41H53N11O9 843.4028 NA PeJP NA NA +PJ051085 GNNNNRR C30H53N17O12 843.406 NA PeJP NA NA +PJ051086 GPPTMRW C38H57N11O9S 843.4062 NA PeJP NA NA +PJ051087 GPLWWW C46H53N9O7 843.4068 NA PeJP NA NA +PJ051088 GPKEEER C34H57N11O14 843.4087 NA PeJP NA NA +PJ051089 AVQKMMH C35H61N11O9S2 843.4095 NA PeJP NA NA +PJ051090 PPVNMMR C35H61N11O9S2 843.4096 NA PeJP NA NA +PJ051091 NDHFRR C35H53N15O10 843.41 NA PeJP NA NA +PJ051092 PPKMWW C43H57N9O7S 843.4102 NA PeJP NA NA +PJ051093 GPVKEEW C39H57N9O12 843.4127 NA PeJP NA NA +PJ051094 GSTMHRR C32H57N15O10S 843.4134 NA PeJP NA NA +PJ051095 LMMFFR C40H61N9O7S2 843.4136 NA PeJP NA NA +PJ051096 AQHFRW C40H53N13O8 843.414 NA PeJP NA NA +PJ051097 GAAHFRW C40H53N13O8 843.4141 NA PeJP NA NA +PJ051098 SSTKKMY C36H61N9O12S 843.4161 NA PeJP NA NA +MJ096038 Anabaenopeptin A C44H57N7O10 843.416691 NA MeJP NA NA +PJ051099 SLLYYW C44H57N7O10 843.4167 NA PeJP NA NA +PJ051100 SKMHRW C37H57N13O8S 843.4174 NA PeJP NA NA +PJ051101 GPTEERR C33H57N13O13 843.4199 NA PeJP NA NA +PJ051102 GGGGGGGGGALK C33H57N13O13 843.42 NA PeJP NA NA +PJ051103 AALLMYY C41H61N7O10S 843.4201 NA PeJP NA NA +PJ051104 GPPMMRR C34H61N13O8S2 843.4208 NA PeJP NA NA +PJ051105 PKEERW C38H57N11O11 843.4239 NA PeJP NA NA +PJ051106 GGGPDKKW C38H57N11O11 843.424 NA PeJP NA NA +PJ051107 SPPKEMR C35H61N11O11S 843.4273 NA PeJP NA NA +PJ051108 PVKEWW C43H57N9O9 843.428 NA PeJP NA NA +PJ051109 SSTTHRR C32H57N15O12 843.4311 NA PeJP NA NA +PJ051110 AANQERR C32H57N15O12 843.4312 NA PeJP NA NA +PJ051111 SPPVKMW C40H61N9O9S 843.4313 NA PeJP NA NA +PJ051112 VVFFFW C48H57N7O7 843.432 NA PeJP NA NA +PJ051113 PVDKKEE C36H61N9O14 843.4338 NA PeJP NA NA +PJ051114 GGGVVVVEE C36H61N9O14 843.4339 NA PeJP NA NA +PJ051115 SLLLMMH C37H65N9O9S2 843.4347 NA PeJP NA NA +PJ051116 PTERRW C37H57N13O10 843.4352 NA PeJP NA NA +PJ051117 ATTLLYY C41H61N7O12 843.4378 NA PeJP NA NA +PJ051118 PPLLEEF C41H61N7O12 843.4379 NA PeJP NA NA +PJ051119 SPPTMRR C34H61N13O10S 843.4385 NA PeJP NA NA +PJ051120 GPVEMRR C34H61N13O10S 843.4386 NA PeJP NA NA +PJ051121 SPLRWW C42H57N11O8 843.4392 NA PeJP NA NA +PJ051122 PLLLEEM C38H65N7O12S 843.4412 NA PeJP NA NA +PJ051123 NNERRR C31H57N17O11 843.4424 NA PeJP NA NA +PJ051124 AAPLMRW C39H61N11O8S 843.4426 NA PeJP NA NA +PJ051125 SPVKEER C35H61N11O13 843.4451 NA PeJP NA NA +C15702 Tubulysin A C43H65N5O10S 843.4452 NA KEGG NA NA +MJ096039 Tubulysin A C43H65N5O10S 843.445214 NA MeJP NA NA +PJ051126 PPCLKMR C36H65N11O8S2 843.4459 NA PeJP NA NA +PJ051127 AQQRRW C36H57N15O9 843.4464 NA PeJP NA NA +PJ051128 APTLKEW C40H61N9O11 843.4491 NA PeJP NA NA +PJ051129 PEMRRR C33H61N15O9S 843.4498 NA PeJP NA NA +PJ051130 AKHFRW C41H57N13O7 843.4504 NA PeJP NA NA +PJ051131 PVLQKEM C37H65N9O11S 843.4525 NA PeJP NA NA +PJ051132 AALLFFY C45H61N7O9 843.4531 NA PeJP NA NA +PJ051133 PVMRRW C38H61N13O7S 843.4538 NA PeJP NA NA +PJ051134 AALEERR C34H61N13O12 843.4563 NA PeJP NA NA +PJ051135 GNRRRW C35H57N17O8 843.4576 NA PeJP NA NA +PJ051136 GGGRRRW C35H57N17O8 843.4577 NA PeJP NA NA +PJ051137 VLLLEEE C38H65N7O14 843.459 NA PeJP NA NA +PJ051138 LLQERW C39H61N11O10 843.4603 NA PeJP NA NA +MJ096040 Maridomycin II C42H69NO16 843.461635 NA MeJP NA NA +MJ096041 Maridomycin VII C42H69NO16 843.461635 NA MeJP NA NA +MJ096042 Tertiomycin A C42H69NO16 843.461635 NA MeJP NA NA +PJ051139 APLKEMR C36H65N11O10S 843.4637 NA PeJP NA NA +PJ051140 VLLQWW C44H61N9O8 843.4643 NA PeJP NA NA +PJ051141 GGLLLWW C44H61N9O8 843.4644 NA PeJP NA NA +PJ051142 VEERRR C33H61N15O11 843.4675 NA PeJP NA NA +PJ051143 GGAAKERR C33H61N15O11 843.4676 NA PeJP NA NA +PJ051144 GPLLKMW C41H65N9O8S 843.4677 NA PeJP NA NA +PJ051145 PTLKKEE C37H65N9O13 843.4702 NA PeJP NA NA +PJ051146 PPLKKMM C38H69N9O8S2 843.4711 NA PeJP NA NA +PJ051147 VVERRW C38H61N13O9 843.4716 NA PeJP NA NA +PJ051148 PPLLLEY C42H65N7O11 843.4742 NA PeJP NA NA +PJ051149 APTLMRR C35H65N13O9S 843.4749 NA PeJP NA NA +PJ051150 ALLRWW C43H61N11O7 843.4756 NA PeJP NA NA +PJ051151 NDKRRR C32H61N17O10 843.4788 NA PeJP NA NA +PJ051152 PTTLKER C36H65N11O12 843.4814 NA PeJP NA NA +PJ051153 GLLKEER C36H65N11O12 843.4815 NA PeJP NA NA +PJ051154 AQKRRW C37H61N15O8 843.4828 NA PeJP NA NA +PJ051155 GVLLKEW C41H65N9O10 843.4855 NA PeJP NA NA +PJ051156 GPCKKRR C34H65N15O8S 843.4862 NA PeJP NA NA +PJ051157 PVLKKEM C38H69N9O10S 843.4888 NA PeJP NA NA +PJ051158 PLLDKKM C38H69N9O10S 843.4889 NA PeJP NA NA +PJ051159 SNRRRR C31H61N19O9 843.49 NA PeJP NA NA +PJ051160 GTLLERR C35H65N13O11 843.4927 NA PeJP NA NA +PJ051161 LLKERW C40H65N11O9 843.4967 NA PeJP NA NA +PJ051162 SPLLKMR C37H69N11O9S 843.5001 NA PeJP NA NA +PJ051163 VLLKWW C45H65N9O7 843.5007 NA PeJP NA NA +PJ051164 QKKERR C34H65N15O10 843.5039 NA PeJP NA NA +PJ051165 VVLKKEE C38H69N9O12 843.5066 NA PeJP NA NA +PJ051166 TLLRRW C39H65N13O8 843.5079 NA PeJP NA NA +PJ051167 GGLKKRW C39H65N13O8 843.508 NA PeJP NA NA +PJ051168 PLLLLEF C43H69N7O10 843.5106 NA PeJP NA NA +PJ051169 GVLLMRR C36H69N13O8S 843.5113 NA PeJP NA NA +PJ051170 LLLLLEM C40H73N7O10S 843.514 NA PeJP NA NA +PJ051171 TQKRRR C33H65N17O9 843.5152 NA PeJP NA NA +PJ051172 SVLLKER C37H69N11O11 843.5178 NA PeJP NA NA +PJ051173 GAALKKKE C37H69N11O11 843.5179 NA PeJP NA NA +PJ051174 AKKRRW C38H65N15O7 843.5192 NA PeJP NA NA +PJ051175 ATLLLKW C42H69N9O9 843.5219 NA PeJP NA NA +PJ051176 LLMRRR C35H69N15O7S 843.5226 NA PeJP NA NA +PJ051177 VLLLQKM C39H73N9O9S 843.5252 NA PeJP NA NA +PJ051178 SSLLLRR C36H69N13O10 843.5291 NA PeJP NA NA +PJ051179 AALKKKW C41H69N11O8 843.5331 NA PeJP NA NA +PJ051180 ALLLKMR C38H73N11O8S 843.5365 NA PeJP NA NA +PJ051181 KKKERR C35H69N15O9 843.5403 NA PeJP NA NA +PJ051182 TLLLKKE C39H73N9O11 843.543 NA PeJP NA NA +PJ051183 VKKKRW C40H69N13O7 843.5443 NA PeJP NA NA +PJ051184 PLLLLLY C44H73N7O9 843.547 NA PeJP NA NA +PJ051185 TKKRRR C34H69N17O8 843.5515 NA PeJP NA NA +PJ051186 TTLLLKR C38H73N11O10 843.5542 NA PeJP NA NA +PJ051187 PVLLKKF C43H73N9O8 843.5583 NA PeJP NA NA +PJ051188 VLLLKKM C40H77N9O8S 843.5616 NA PeJP NA NA +PJ051189 ATLKKKR C37H73N13O9 843.5655 NA PeJP NA NA +HMDB09573 PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C49H82NO8P 843.57782 NA HMDB2010 NA NA +HMDB09602 PE(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) C49H82NO8P 843.57782 NA HMDB2010 NA NA +HMDB09701 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)) C49H82NO8P 843.57782 NA HMDB2010 NA NA +PJ051190 LLLLLLF C45H77N7O8 843.5834 NA PeJP NA NA +PJ051191 SLLKKKK C39H77N11O9 843.5906 NA PeJP NA NA +EUR973 PC 36:3 [M-H+acetate]- C44H82NO8P 843.598907 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR973 PC 36:3 [M-H+acetate]- C44H82NO8P 843.598907 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR973 PC 36:3 [M-H+acetate]- C44H82NO8P 843.598907 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR973 PC 36:3 [M-H+acetate]- C44H82NO8P 843.598907 masses lipides attendues Inhousejuil11 NA NA +PJ051192 GKKKKKK C38H77N13O8 843.6018 NA PeJP NA NA +HMDB07993 PC(16:0/24:1(15Z)) C48H94NO8P 843.671692 NA HMDB2010 NA NA +HMDB08025 PC(16:1(9Z)/24:0) C48H94NO8P 843.671692 NA HMDB2010 NA NA +HMDB08052 PC(18:0/22:1(13Z)) C48H94NO8P 843.671692 NA HMDB2010 NA NA +HMDB08084 PC(18:1(11Z)/22:0) C48H94NO8P 843.671692 NA HMDB2010 NA NA +HMDB08117 PC(18:1(9Z)/22:0) C48H94NO8P 843.671692 NA HMDB2010 NA NA +HMDB08275 PC(20:0/20:1(11Z)) C48H94NO8P 843.671692 NA HMDB2010 NA NA +HMDB08307 PC(20:1(11Z)/20:0) C48H94NO8P 843.671692 NA HMDB2010 NA NA +HMDB08531 PC(22:0/18:1(11Z)) C48H94NO8P 843.671692 NA HMDB2010 NA NA +HMDB08532 PC(22:0/18:1(9Z)) C48H94NO8P 843.671692 NA HMDB2010 NA NA +HMDB08563 PC(22:1(13Z)/18:0) C48H94NO8P 843.671692 NA HMDB2010 NA NA +HMDB08757 PC(24:0/15:0) C48H94NO8P 843.671692 NA HMDB2010 NA NA +HMDB08759 PC(24:0/16:1(9Z)) C48H94NO8P 843.671692 NA HMDB2010 NA NA +HMDB08791 PC(24:1(15Z)/16:0) C48H94NO8P 843.671692 NA HMDB2010 NA NA +MJ096043 2-Amino-8-octadecene-1,3,4-triol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-glucopyranoside C48H93NO10 843.679948 NA MeJP NA NA +MJ096044 2-Amino-1,3,4-octadecanetriol, N-Pentacosanoyl, 1-O-?-D-glucopyranoside C49H97NO9 843.716333 NA MeJP NA NA +MJ096045 2-Amino-1,3-eicosanediol, N-(2R-Hydroxytricosanoyl), 1-O-?-D-glucopyranoside C49H97NO9 843.716333 NA MeJP NA NA +HMDB11698 SM(d18:1/26:0) C49H100N2O6P 843.731873 NA HMDB2010 NA NA +MJ096046 Aerothionin; 2''-Oxo, 3''R-hydroxy C24H24Br4N4O10 843.822593 NA MeJP NA NA +MJ096047 Aerothionin; 2''-Oxo, 3''S-hydroxy C24H24Br4N4O10 843.822593 NA MeJP NA NA +7723 NA NKLASVYALTPSLRVG 843.97345 MH2+ Inhouse_peptide NA peptide +PJ051193 ACCCCCCH C27H44N10O9S6 844.1617 NA PeJP NA NA +PJ051194 GCCCDDDD C27H40N8O17S3 844.1674 NA PeJP NA NA +PJ051195 SSCCCCCH C27H44N10O11S5 844.1795 NA PeJP NA NA +PJ051196 SPCCCCDD C28H44N8O14S4 844.186 NA PeJP NA NA +PJ051197 GCCCCNNE C27H44N10O13S4 844.1973 NA PeJP NA NA +PJ051198 GSCCDDDM C28H44N8O16S3 844.2038 NA PeJP NA NA +PJ051199 GPCCCCEM C29H48N8O11S5 844.2047 NA PeJP NA NA +PJ051200 CCCCNNW C31H44N10O10S4 844.2125 NA PeJP NA NA +PJ051201 SSCCCNND C27H44N10O15S3 844.215 NA PeJP NA NA +PJ051202 SCCCDEW C32H44N8O13S3 844.219 NA PeJP NA NA +PJ051203 PCCCCMW C33H48N8O8S5 844.2199 NA PeJP NA NA +PJ051204 SSSCCDDE C28H44N8O18S2 844.2215 NA PeJP NA NA +PJ051205 CCNDEMM C29H48N8O13S4 844.2224 NA PeJP NA NA +PJ051206 CCCDDMR C28H48N10O12S4 844.2336 NA PeJP NA NA +PJ051207 GGGGGTCCCM C28H48N10O12S4 844.2337 NA PeJP NA NA +PJ051208 CCNDDEF C32H44N8O15S2 844.2368 NA PeJP NA NA +PJ051209 GCCDMMW C33H48N8O10S4 844.2377 NA PeJP NA NA +PJ051210 GSSCDDMM C29H48N8O15S3 844.2402 NA PeJP NA NA +PJ051211 GPTCCCMM C30H52N8O10S5 844.241 NA PeJP NA NA +PJ051212 CCCNEHH C30H44N12O11S3 844.2415 NA PeJP NA NA +C17918 Scabraside C40H44O20 844.2426 NA KEGG NA NA +PJ051213 GSCCCCNR C27H48N12O11S4 844.2449 NA PeJP NA NA +PJ051214 NDDDDDH C30H40N10O19 844.2472 NA PeJP NA NA +PJ051215 CCNNNDY C31H44N10O14S2 844.248 NA PeJP NA NA +PJ051216 SSSCCNNM C28H48N10O14S3 844.2514 NA PeJP NA NA +PJ051217 GCCDDFW C36H44N8O12S2 844.2521 NA PeJP NA NA +PJ051218 SCNDDEY C32H44N8O17S 844.2545 NA PeJP NA NA +PJ051219 GGSCDDEY C32H44N8O17S 844.2546 NA PeJP NA NA +PJ051220 SSCCEMW C33H48N8O12S3 844.2554 NA PeJP NA NA +PJ051221 GCCCHHW C34H44N12O8S3 844.2568 NA PeJP NA NA +PJ051222 SSSSCDEM C29H48N8O17S2 844.2579 NA PeJP NA NA +PJ051223 SCNEMMM C30H52N8O12S4 844.2588 NA PeJP NA NA +PJ051224 GSSCCDHH C30H44N12O13S2 844.2593 NA PeJP NA NA +PJ051225 CCMYYY C38H48N6O10S3 844.2594 NA PeJP NA NA +PJ051226 GSPCDDDH C31H44N10O16S 844.2658 NA PeJP NA NA +PJ051227 CCNNNMF C32H48N10O11S3 844.2666 NA PeJP NA NA +PJ051228 GGCCNNMF C32H48N10O11S3 844.2667 NA PeJP NA NA +PJ051229 GSSSSSCCQ C28H48N10O16S2 844.2691 NA PeJP NA NA +PJ051230 GGGSSSSTCC C28H48N10O16S2 844.2692 NA PeJP NA NA +PJ051231 GSCDDYW C36H44N8O14S 844.2698 NA PeJP NA NA +PJ051232 SCCDMMR C29H52N10O11S4 844.27 NA PeJP NA NA +PJ051233 APCCCYW C37H48N8O9S3 844.2707 NA PeJP NA NA +PJ051234 GSSSDDDY C32H44N8O19 844.2723 NA PeJP NA NA +PJ051235 GNDDMMY C33H48N8O14S2 844.2732 NA PeJP NA NA +PJ051236 GSCMMMW C34H52N8O9S4 844.274 NA PeJP NA NA +PJ051237 GGPCCMMF C34H52N8O9S4 844.2741 NA PeJP NA NA +PJ051238 GSSSDMMM C30H52N8O14S3 844.2765 NA PeJP NA NA +PJ051239 CNNNDEH C30H44N12O15S 844.277 NA PeJP NA NA +PJ051240 GNMMMMM C31H56N8O9S5 844.2774 NA PeJP NA NA +PJ051241 SCCQMHH C31H48N12O10S3 844.2779 NA PeJP NA NA +PJ051242 PPCCCHW C36H48N10O8S3 844.2819 NA PeJP NA NA +PJ051243 SNDDEEH C31H44N10O18 844.2835 NA PeJP NA NA +PJ051244 GGSDDEEH C31H44N10O18 844.2836 NA PeJP NA NA +PJ051245 GCCDERY C32H48N10O13S2 844.2844 NA PeJP NA NA +PJ051246 SSSSSSSCN C28H48N10O18S 844.2869 NA PeJP NA NA +PJ051247 GNDDDFY C36H44N8O16 844.2876 NA PeJP NA NA +PJ051248 SSSCCCQK C29H52N10O13S3 844.2878 NA PeJP NA NA +PJ051249 CNEMYW C37H48N8O11S2 844.2884 NA PeJP NA NA +PJ051250 ACCMMMR C30H56N10O8S5 844.2886 NA PeJP NA NA +PJ051251 VCCCMMR C30H56N10O8S5 844.2887 NA PeJP NA NA +PJ051252 SCCCHHR C30H48N14O9S3 844.2891 NA PeJP NA NA +PJ051253 SSNDEMY C33H48N8O16S 844.2909 NA PeJP NA NA +PJ051254 SSTCMMW C34H52N8O11S3 844.2918 NA PeJP NA NA +PJ051255 GCNNDHW C34H44N12O12S 844.2923 NA PeJP NA NA +PJ051256 CCFFYY C42H48N6O9S2 844.2924 NA PeJP NA NA +PJ051257 SSSSSEMM C30H52N8O16S2 844.2943 NA PeJP NA NA +PJ051258 GSSNNDDH C30H44N12O17 844.2948 NA PeJP NA NA +PJ051259 SSQMMMM C31H56N8O11S4 844.2952 NA PeJP NA NA +PJ051260 GSSSCMHH C31H48N12O12S2 844.2956 NA PeJP NA NA +PJ051261 PCCDDHR C31H48N12O12S2 844.2957 NA PeJP NA NA +PJ051262 GSDDEHW C35H44N10O15 844.2988 NA PeJP NA NA +PJ051263 CCDRYW C36H48N10O10S2 844.2997 NA PeJP NA NA +MJ096048 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 4'-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C38H52O21 844.300108 NA MeJP NA NA +MJ096049 Pinoresinol, 4-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C38H52O21 844.300108 NA MeJP NA NA +PJ051264 SSCDDRY C32H48N10O15S 844.3022 NA PeJP NA NA +PJ051265 PTCCCRY C33H52N10O10S3 844.303 NA PeJP NA NA +PJ051266 GGGACCCKF C33H52N10O10S3 844.3031 NA PeJP NA NA +PJ051267 GCMYWW C41H48N8O8S2 844.3037 NA PeJP NA NA +PJ051268 GSSSSSCCK C29H52N10O15S2 844.3055 NA PeJP NA NA +PJ051269 GSSDMYW C37H48N8O13S 844.3062 NA PeJP NA NA +PJ051270 SSCMMMR C30H56N10O10S4 844.3064 NA PeJP NA NA +PJ051271 CQMMFW C38H52N8O8S3 844.3071 NA PeJP NA NA +PJ051272 GSSSSEEY C33H48N8O18 844.3087 NA PeJP NA NA +PJ051273 SCCLQEY C34H52N8O13S2 844.3095 NA PeJP NA NA +PJ051274 GSQEMMY C34H52N8O13S2 844.3096 NA PeJP NA NA +PJ051275 ACYYYY C42H48N6O11S 844.3102 NA PeJP NA NA +PJ051276 GCNMHHF C35H48N12O9S2 844.3109 NA PeJP NA NA +PJ051277 EEEEFY C38H48N6O16 844.3127 NA PeJP NA NA +PJ051278 GSSTTMMM C31H56N8O13S3 844.3129 NA PeJP NA NA +PJ051279 GDDDMHR C31H48N12O14S 844.3134 NA PeJP NA NA +PJ051280 ACKMMMM C32H60N8O8S5 844.3138 NA PeJP NA NA +PJ051281 SDDHWW C39H44N10O12 844.3141 NA PeJP NA NA +PJ051282 SCCKMHH C32H52N12O9S3 844.3143 NA PeJP NA NA +MJ096050 Bussein F C42H52O18 844.315364 NA MeJP NA NA +PJ051283 NEEMHW C36H48N10O12S 844.3174 NA PeJP NA NA +PJ051284 CCMFRW C37H52N10O7S3 844.3183 NA PeJP NA NA +PJ051285 SSSSSNNY C32H48N10O17 844.3199 NA PeJP NA NA +PJ051286 GGGGGGPEEE C32H48N10O17 844.32 NA PeJP NA NA +PJ051287 GSCEMRY C33H52N10O12S2 844.3208 NA PeJP NA NA +PJ051288 GNDEHHH C33H44N14O13 844.3213 NA PeJP NA NA +PJ051289 STCYWW C41H48N8O10S 844.3214 NA PeJP NA NA +PJ051290 GGCEFFW C41H48N8O10S 844.3215 NA PeJP NA NA +PJ051291 SSSSEYW C37H48N8O15 844.3239 NA PeJP NA NA +PJ051292 SPPDDEW C37H48N8O15 844.324 NA PeJP NA NA +PJ051293 SSSCCCKK C30H56N10O12S3 844.3242 NA PeJP NA NA +PJ051294 SCNNDHR C30H48N14O13S 844.3246 NA PeJP NA NA +PJ051295 GGGGSCDHR C30H48N14O13S 844.3247 NA PeJP NA NA +PJ051296 SQMMYW C38H52N8O10S2 844.3248 NA PeJP NA NA +PJ051297 SSTQEMY C34H52N8O15S 844.3273 NA PeJP NA NA +PJ051298 SSYYYY C42H48N6O13 844.3279 NA PeJP NA NA +PJ051299 AAQMMMY C35H56N8O10S3 844.3282 NA PeJP NA NA +PJ051300 CDEHRW C35H48N12O11S 844.3287 NA PeJP NA NA +PJ051301 SSSTTTMM C31H56N8O15S2 844.3307 NA PeJP NA NA +PJ051302 SSDDEHR C31H48N12O16 844.3312 NA PeJP NA NA +PJ051303 SSKMMMM C32H60N8O10S4 844.3315 NA PeJP NA NA +PJ051304 SPCDMHR C32H52N12O11S2 844.332 NA PeJP NA NA +PJ051305 GGGGGAAMMH C32H52N12O11S2 844.3321 NA PeJP NA NA +PJ051306 GEMHWW C40H48N10O9S 844.3327 NA PeJP NA NA +PJ051307 GSTEEHW C36H48N10O14 844.3352 NA PeJP NA NA +PJ051308 SCMRYW C37H52N10O9S2 844.336 NA PeJP NA NA +PJ051309 GSPMMHW C37H52N10O9S2 844.3361 NA PeJP NA NA +PJ051310 NDHHHW C37H44N14O10 844.3365 NA PeJP NA NA +PJ051311 GCFFWW C45H48N8O7S 844.3367 NA PeJP NA NA +PJ051312 SSSDMRY C33H52N10O14S 844.3385 NA PeJP NA NA +PJ051313 GGGSSSCKY C33H52N10O14S 844.3386 NA PeJP NA NA +PJ051314 GQEYYW C41H48N8O12 844.3392 NA PeJP NA NA +PJ051315 NMMMRY C34H56N10O9S3 844.3394 NA PeJP NA NA +PJ051316 SPCQHHH C34H48N14O10S 844.3399 NA PeJP NA NA +PJ051317 NNNNNQQ C30H48N14O15 844.3424 NA PeJP NA NA +PJ051318 GSTTMYW C38H52N8O12S 844.3426 NA PeJP NA NA +PJ051319 GCNQMHR C31H52N14O10S2 844.3433 NA PeJP NA NA +PJ051320 CKMMFW C39H56N8O7S3 844.3434 NA PeJP NA NA +PJ051321 GSSTTTEY C34H52N8O17 844.3451 NA PeJP NA NA +PJ051322 GSKEMMY C35H56N8O12S2 844.3459 NA PeJP NA NA +PJ051323 GSPPPEMM C35H56N8O12S2 844.346 NA PeJP NA NA +PJ051324 SSSNQHW C35H48N12O13 844.3464 NA PeJP NA NA +PJ051325 ACCKHHF C36H52N12O8S2 844.3473 NA PeJP NA NA +PJ051326 MHWWW C44H48N10O6S 844.3479 NA PeJP NA NA +PJ051327 LEEEYY C39H52N6O15 844.3491 NA PeJP NA NA +PJ051328 GSEEMHR C32H52N12O13S 844.3498 NA PeJP NA NA +PJ051329 STEHWW C40H48N10O11 844.3504 NA PeJP NA NA +PJ051330 GGGGPEWW C40H48N10O11 844.3505 NA PeJP NA NA +PJ051331 APCMMHR C33H56N12O8S3 844.3507 NA PeJP NA NA +MJ096051 Entandrophragmin C43H56O17 844.35175 NA MeJP NA NA +MJ096052 Urdamycin A C43H56O17 844.35175 NA MeJP NA NA +C12413 Urdamycin A C43H56O17 844.3518 NA KEGG NA NA +PJ051332 DKEMHW C37H52N10O11S 844.3538 NA PeJP NA NA +PJ051333 QYYWW C45H48N8O9 844.3544 NA PeJP NA NA +PJ051334 GAYYWW C45H48N8O9 844.3545 NA PeJP NA NA +PJ051335 MHHHHF C38H48N14O7S 844.3552 NA PeJP NA NA +PJ051336 GPEEEER C33H52N10O16 844.3563 NA PeJP NA NA +PJ051337 GSTMMRY C34H56N10O11S2 844.3572 NA PeJP NA NA +PJ051338 GTQEHHH C34H48N14O12 844.3577 NA PeJP NA NA +PJ051339 PPEMWW C42H52N8O9S 844.3578 NA PeJP NA NA +PJ051340 SSTTTYW C38H52N8O14 844.3603 NA PeJP NA NA +PJ051341 SSNNMHR C31H52N14O12S 844.361 NA PeJP NA NA +PJ051342 GGGGGGGAPCR C31H52N14O12S 844.3611 NA PeJP NA NA +PJ051343 SKMMYW C39H56N8O9S2 844.3612 NA PeJP NA NA +PJ051344 NNQHFW C39H48N12O10 844.3617 NA PeJP NA NA +PJ051345 SSTKEMY C35H56N8O14S 844.3637 NA PeJP NA NA +PJ051346 AAKMMMY C36H60N8O9S3 844.3646 NA PeJP NA NA +PJ051347 SEMHRW C36H52N12O10S 844.365 NA PeJP NA NA +PJ051348 GGGTCKHW C36H52N12O10S 844.3651 NA PeJP NA NA +PJ051349 GPNWWW C44H48N10O8 844.3657 NA PeJP NA NA +PJ051350 SSTEEHR C32H52N12O15 844.3675 NA PeJP NA NA +PJ051351 GGSPNEER C32H52N12O15 844.3676 NA PeJP NA NA +PJ051352 AAEMMHR C33H56N12O10S2 844.3684 NA PeJP NA NA +PJ051353 GSDHHHR C33H48N16O11 844.3689 NA PeJP NA NA +PJ051354 SVMHWW C41H52N10O8S 844.3691 NA PeJP NA NA +PJ051355 PEEERW C37H52N10O13 844.3716 NA PeJP NA NA +PJ051356 LQMMHW C38H56N10O8S2 844.3724 NA PeJP NA NA +MJ096053 3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl(1?4)-?-D-xylopyranosyl(1??)-?-D-digitoxoside] C40H60O19 844.372879 NA MeJP NA NA +PJ051357 TQHHHW C38H48N14O9 844.3729 NA PeJP NA NA +PJ051358 SSTTMRY C34H56N10O13S 844.3749 NA PeJP NA NA +PJ051359 GGGGPLQEM C34H56N10O13S 844.375 NA PeJP NA NA +PJ051360 PVEEWW C42H52N8O11 844.3756 NA PeJP NA NA +PJ051361 APKMMMH C35H60N10O8S3 844.3758 NA PeJP NA NA +PJ051362 GVQMHHH C35H52N14O9S 844.3763 NA PeJP NA NA +PJ051363 GSSSSQHR C31H52N14O14 844.3788 NA PeJP NA NA +PJ051364 LQQMYY C39H56N8O11S 844.3789 NA PeJP NA NA +PJ051365 SPPVEMW C39H56N8O11S 844.379 NA PeJP NA NA +PJ051366 ACCQKHR C32H56N14O9S2 844.3796 NA PeJP NA NA +PJ051367 DMMHRR C32H56N14O9S2 844.3797 NA PeJP NA NA +PJ051368 PCHFRW C40H52N12O7S 844.3803 NA PeJP NA NA +PJ051369 SSSSTTLY C35H56N8O16 844.3814 NA PeJP NA NA +PJ051370 PVDKEEE C35H56N8O16 844.3815 NA PeJP NA NA +PJ051371 ATTKMMY C36H60N8O11S2 844.3823 NA PeJP NA NA +PJ051372 GSPNERW C36H52N12O12 844.3828 NA PeJP NA NA +PJ051373 CLMHRW C37H56N12O7S2 844.3837 NA PeJP NA NA +PJ051374 ATTEMHR C33H56N12O12S 844.3862 NA PeJP NA NA +PJ051375 PNDKWW C41H52N10O10 844.3868 NA PeJP NA NA +PJ051376 QMHHHR C34H52N16O8S 844.3875 NA PeJP NA NA +PJ051377 GNNNDRR C30H52N16O13 844.39 NA PeJP NA NA +PJ051378 GTTLMHW C38H56N10O10S 844.3902 NA PeJP NA NA +PJ051379 KYYWW C46H52N8O8 844.3908 NA PeJP NA NA +PJ051380 GAAFFFW C46H52N8O8 844.3909 NA PeJP NA NA +MJ096054 Holost-9(11)-ene-3,12,17-triol, 24,25-Didehydro, 3-O-[6-deoxy-?-D-glucopyranosyl-(1?2)-4-O-sulfo-?-D-xylopyranoside] C41H64O16S 844.391506 NA MeJP NA NA +PJ051381 SPVEEER C34H56N10O15 844.3927 NA PeJP NA NA +PJ051382 PPVDMMR C35H60N10O10S2 844.3936 NA PeJP NA NA +PJ051383 NNQQRW C35H52N14O11 844.394 NA PeJP NA NA +PJ051384 GGGGGAQRW C35H52N14O11 844.3941 NA PeJP NA NA +PJ051385 AKMFYW C43H56N8O8S 844.3942 NA PeJP NA NA +PJ051386 APTLEEW C39H56N8O13 844.3967 NA PeJP NA NA +PJ051387 GPNDMRR C32H56N14O11S 844.3974 NA PeJP NA NA +PJ051388 APPLMMW C40H60N8O8S2 844.3976 NA PeJP NA NA +PJ051389 SPNRWW C40H52N12O9 844.3981 NA PeJP NA NA +PJ051390 CHHHRR C33H52N18O7S 844.3988 NA PeJP NA NA +8206 Antioxidin-RL - peptide from frog skin (Odorrana livida) AMRLTYNRPCIYAT 844.39965 MH2+ Inhouse_peptide NA peptide +PJ051391 TTTTKMY C36H60N8O13S 844.4001 NA PeJP NA NA +PJ051392 PQQMRW C37H56N12O9S 844.4014 NA PeJP NA NA +PJ051393 GLHFWW C45H52N10O7 844.4021 NA PeJP NA NA +PJ051394 TTTTEHR C33H56N12O14 844.4039 NA PeJP NA NA +PJ051395 GGGGALEER C33H56N12O14 844.404 NA PeJP NA NA +PJ051396 GTLMMHR C34H60N12O9S2 844.4048 NA PeJP NA NA +PJ051397 GTTHHHR C34H52N16O10 844.4053 NA PeJP NA NA +PJ051398 PKMHFW C42H56N10O7S 844.4055 NA PeJP NA NA +PJ051399 STTTLHW C38H56N10O12 844.4079 NA PeJP NA NA +PJ051400 ASPQKEW C38H56N10O12 844.408 NA PeJP NA NA +PJ051401 LKMMHW C39H60N10O7S2 844.4088 NA PeJP NA NA +MJ096055 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C41H64O18 844.409265 NA MeJP NA NA +MJ096056 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-6-deoxy-?-D-gulopyranoside] C41H64O18 844.409265 NA MeJP NA NA +MJ096057 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-fucopyranoside] C41H64O18 844.409265 NA MeJP NA NA +MJ096058 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C41H64O18 844.409265 NA MeJP NA NA +MJ096059 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C41H64O18 844.409265 NA MeJP NA NA +PJ051402 TKHHHW C39H52N14O8 844.4093 NA PeJP NA NA +PJ051403 APLEEMR C35H60N10O12S 844.4113 NA PeJP NA NA +PJ051404 SVKYYW C43H56N8O10 844.412 NA PeJP NA NA +PJ051405 PCQRRW C36H56N14O8S 844.4127 NA PeJP NA NA +PJ051406 VTNNNQR C32H56N14O13 844.4151 NA PeJP NA NA +PJ051407 QQEERR C32H56N14O13 844.4152 NA PeJP NA NA +PJ051408 APVLEMW C40H60N8O10S 844.4153 NA PeJP NA NA +PJ051409 GPLLEMW C40H60N8O10S 844.4154 NA PeJP NA NA +PJ051410 ACCKKHR C33H60N14O8S2 844.416 NA PeJP NA NA +PJ051411 VVLQEEE C36H60N8O15 844.4178 NA PeJP NA NA +PJ051412 PTLKEEE C36H60N8O15 844.4179 NA PeJP NA NA +PJ051413 PPLKEMM C37H64N8O10S2 844.4187 NA PeJP NA NA +PJ051414 VQQERW C37H56N12O11 844.4192 NA PeJP NA NA +PJ051415 STTLMHR C34H60N12O11S 844.4225 NA PeJP NA NA +PJ051416 VTTTMHR C34H60N12O11S 844.4226 NA PeJP NA NA +MJ096060 Cyclotheonamide E; Cyclotheonamide E2 C42H56N10O9 844.423173 NA MeJP NA NA +PJ051417 PTQKWW C42H56N10O9 844.4232 NA PeJP NA NA +PJ051418 KMHHHR C35H56N16O7S 844.4239 NA PeJP NA NA +PJ051419 NDERRR C31H56N16O12 844.4264 NA PeJP NA NA +PJ051420 GPVQKMW C39H60N10O9S 844.4266 NA PeJP NA NA +PJ051421 PPLFWW C47H56N8O7 844.4272 NA PeJP NA NA +PJ051422 GLLEEER C35H60N10O14 844.4291 NA PeJP NA NA +PJ051423 PPTLMMR C36H64N10O9S2 844.4299 NA PeJP NA NA +PJ051424 VVTKMMH C36H64N10O9S2 844.43 NA PeJP NA NA +MJ096061 11-Hydroxytetradecanoic acid, O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-6-deoxy-?-D-glucopyranoside] C38H68O20 844.430394 NA MeJP NA NA +PJ051425 AQERRW C36H56N14O10 844.4304 NA PeJP NA NA +PJ051426 PLLMWW C44H60N8O7S 844.4306 NA PeJP NA NA +MJ096062 N-Deacyltunicamycin; N4''-(14-Methyl-2-pentadecenoyl) C39H64N4O16 844.431732 NA MeJP NA NA +MJ096063 N-Deacyltunicamycin; N4''-(2-Hexadecenoyl) C39H64N4O16 844.431732 NA MeJP NA NA +PJ051427 GVLLEEW C40H60N8O12 844.4331 NA PeJP NA NA +PJ051428 GPTQMRR C33H60N14O10S 844.4338 NA PeJP NA NA +PJ051429 GLQRWW C41H56N12O8 844.4344 NA PeJP NA NA +MJ096064 Hydra RFamides; Hydra RFamide I C41H56N12O8 844.434406 NA MeJP NA NA +PJ051430 GGALRWW C41H56N12O8 844.4345 NA PeJP NA NA +PJ051431 PVLKEEM C37H64N8O12S 844.4365 NA PeJP NA NA +PJ051432 PQKMRW C38H60N12O8S 844.4378 NA PeJP NA NA +PJ051433 GVQKEER C34H60N12O13 844.4403 NA PeJP NA NA +PJ051434 ACKKKMH C35H64N12O8S2 844.4412 NA PeJP NA NA +PJ051435 GDRRRW C35H56N16O9 844.4417 NA PeJP NA NA +PJ051436 LLEERW C39H60N10O11 844.4443 NA PeJP NA NA +PJ051437 GGGVLKEW C39H60N10O11 844.4444 NA PeJP NA NA +PJ051438 GPTCRRR C32H60N16O9S 844.445 NA PeJP NA NA +MJ096065 12-Oleanene-3,15,16,21,22,28-hexol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosiduronate] C42H68O17 844.44565 NA MeJP NA NA +PJ051439 AARRWW C40H56N14O7 844.4457 NA PeJP NA NA +PJ051440 SPLLEMR C36H64N10O11S 844.4477 NA PeJP NA NA +PJ051441 VLLEWW C44H60N8O9 844.4484 NA PeJP NA NA +PJ051442 PCKRRW C37H60N14O7S 844.4491 NA PeJP NA NA +PJ051443 ASVQERR C33H60N14O12 844.4515 NA PeJP NA NA +PJ051444 QKEERR C33H60N14O12 844.4516 NA PeJP NA NA +PJ051445 SPVLLMW C41H64N8O9S 844.4517 NA PeJP NA NA +PJ051446 VVLKEEE C37H64N8O14 844.4542 NA PeJP NA NA +PJ051447 PLLLQMM C38H68N8O9S2 844.4551 NA PeJP NA NA +PJ051448 VQKERW C38H60N12O10 844.4556 NA PeJP NA NA +PJ051449 APDKKMR C35H64N12O10S 844.4589 NA PeJP NA NA +PJ051450 GPKKEMR C35H64N12O10S 844.459 NA PeJP NA NA +PJ051451 PTKKWW C43H60N10O8 844.4596 NA PeJP NA NA +MJ096066 Avermectin B1a; 3',3''-Di-O-de-Me C46H68O14 844.460906 NA MeJP NA NA +PJ051452 TQERRR C32H60N16O11 844.4628 NA PeJP NA NA +PJ051453 GPVKKMW C40H64N10O8S 844.463 NA PeJP NA NA +PJ051454 SVLLEER C36H64N10O13 844.4655 NA PeJP NA NA +PJ051455 PVVLMMR C37H68N10O8S2 844.4663 NA PeJP NA NA +PJ051456 AKERRW C37H60N14O9 844.4668 NA PeJP NA NA +PJ051457 ATLLLEW C41H64N8O11 844.4695 NA PeJP NA NA +PJ051458 GPTKMRR C34H64N14O9S 844.4702 NA PeJP NA NA +PJ051459 GLKRWW C42H60N12O7 844.4708 NA PeJP NA NA +PJ051460 VLLLQEM C38H68N8O11S 844.4729 NA PeJP NA NA +PJ051461 SDRRRR C31H60N18O10 844.474 NA PeJP NA NA +PJ051462 PKKMRW C39H64N12O7S 844.4742 NA PeJP NA NA +PJ051463 GVKKEER C35H64N12O12 844.4767 NA PeJP NA NA +PJ051464 ATRRRW C36H60N16O8 844.478 NA PeJP NA NA +PJ051465 GGPFRRR C36H60N16O8 844.4781 NA PeJP NA NA +PJ051466 AALKKEW C40H64N10O10 844.4807 NA PeJP NA NA +PJ051467 VQMRRR C33H64N16O8S 844.4814 NA PeJP NA NA +PJ051468 ALLLEMR C37H68N10O10S 844.4841 NA PeJP NA NA +PJ051469 LKKFFY C45H64N8O8 844.4847 NA PeJP NA NA +PJ051470 GPLLLFW C45H64N8O8 844.4848 NA PeJP NA NA +PJ051471 KKEERR C34H64N14O11 844.4879 NA PeJP NA NA +PJ051472 GGGDKKKR C34H64N14O11 844.488 NA PeJP NA NA +PJ051473 GLLLLMW C42H68N8O8S 844.4881 NA PeJP NA NA +PJ051474 TLLLKEE C38H68N8O13 844.4906 NA PeJP NA NA +PJ051475 PLLLKMM C39H72N8O8S2 844.4915 NA PeJP NA NA +PJ051476 VKKERW C39H64N12O9 844.492 NA PeJP NA NA +PJ051477 AMRRRR C32H64N18O7S 844.4927 NA PeJP NA NA +8285 antioxidative peptide IPIQYVL 844.493 NA ;SYN:(S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoate; (S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid; 2-amino-5-guanidinovalerate; 2-amino-5-guanidinovaleric acid; 5-[(aminoiminomethyl)amino]-L-Norvaline; Arginine; L-(+)-Arginine; L-a-Amino-d-guanidinovalerate; L-a-Amino-d-guanidinovaleric acid; N5-(aminoiminomethyl)-L-Ornithine; L-alpha-Amino-delta-guanidinovalerate; L-alpha-Amino-delta-guanidinovaleric acid; (S)-2-amino-5-[(aminoiminomethyl)amino]-Pentanoic acid; (S)-2-amino-5-[(aminoiminomethyl)amino]-PentanoateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ051478 SPVKKMR C36H68N12O9S 844.4953 NA PeJP NA NA +PJ051479 VVKKWW C44H64N10O7 844.496 NA PeJP NA NA +PJ051480 TKERRR C33H64N16O10 844.4992 NA PeJP NA NA +PJ051481 TTLLLER C37H68N10O12 844.5018 NA PeJP NA NA +PJ051482 ALKKKEE C37H68N10O12 844.5019 NA PeJP NA NA +PJ051483 SLKRRW C38H64N14O8 844.5032 NA PeJP NA NA +PJ051484 STLLLLW C42H68N8O10 844.5059 NA PeJP NA NA +PJ051485 AALKMRR C35H68N14O8S 844.5066 NA PeJP NA NA +PJ051486 VLLLKEM C39H72N8O10S 844.5092 NA PeJP NA NA +PJ051487 LLLLDKM C39H72N8O10S 844.5093 NA PeJP NA NA +PJ051488 TTRRRR C32H64N18O9 844.5104 NA PeJP NA NA +PJ051489 ATLKKER C36H68N12O11 844.5131 NA PeJP NA NA +PJ051490 GTLLKKW C41H68N10O9 844.5171 NA PeJP NA NA +PJ051491 VKMRRR C34H68N16O7S 844.5178 NA PeJP NA NA +PJ051492 SLLLLMR C38H72N10O9S 844.5205 NA PeJP NA NA +PJ051493 ATTLKRR C35H68N14O10 844.5243 NA PeJP NA NA +PJ051494 SSSLLLLL C39H72N8O12 844.527 NA PeJP NA NA +PJ051495 QKKKKW C40H68N12O8 844.5283 NA PeJP NA NA +PJ051496 GAKKKKW C40H68N12O8 844.5284 NA PeJP NA NA +MJ096067 Foromacidin A; 18-Alcohol C43H76N2O14 844.529655 NA MeJP NA NA +PJ051497 GLLKKMR C37H72N12O8S 844.5317 NA PeJP NA NA +MJ096068 Antibiotic IKD 8344 C48H76O12 844.533677 NA MeJP NA NA +C15766 Halstoctacosanolide A C48H76O12 844.5337 NA KEGG NA NA +PJ051498 SLLKKKE C38H72N10O11 844.5382 NA PeJP NA NA +PJ051499 PVLLLKY C43H72N8O9 844.5423 NA PeJP NA NA +PJ051500 STLLKKR C37H72N12O10 844.5495 NA PeJP NA NA +PJ051501 ALLLLFR C42H72N10O8 844.5535 NA PeJP NA NA +PJ051502 VVLKKKM C39H76N10O8S 844.5569 NA PeJP NA NA +PJ051503 GTKKKKR C36H72N14O9 844.5607 NA PeJP NA NA +PJ051504 KKKKKW C41H72N12O7 844.5647 NA PeJP NA NA +PJ051505 VLLLLKF C44H76N8O8 844.5787 NA PeJP NA NA +PJ051506 SVKKKKK C38H76N12O9 844.5859 NA PeJP NA NA +MJ096069 34-Ethylhuratoxin; 5-Deoxy, 6,7-deepoxy, 6,7,26,27-tetradehydro, 20-octadecanoyl C54H84O7 844.621705 NA MeJP NA NA +MJ096070 Crambescidin 844 C47H84N6O7 844.640149 NA MeJP NA NA +EUR1108 SM(d18:1/22:1) [M-H+acetate]- C45H89N2O6P 844.666926 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1108 SM(d18:1/22:1) [M-H+acetate]- C45H89N2O6P 844.666926 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1108 SM(d18:1/22:1) [M-H+acetate]- C45H89N2O6P 844.666926 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1108 SM(d18:1/22:1) [M-H+acetate]- C45H89N2O6P 844.666926 masses lipides attendues Inhousejuil11 NA NA +MJ096071 2-Amino-14-methyl-1,3,4-pentadecanetriol, N-(2R-Hydroxytricosanoyl), 1-O-(2-acetamido-2-deoxy-?-D-glucopyranoside) C47H92N2O10 844.675197 NA MeJP NA NA +HMDB11700 TG(15:0/16:0/20:2(11Z,14Z))[iso6] C54H100O6 844.752014 NA HMDB2010 NA NA +HMDB11703 TG(15:0/18:0/18:2(9Z,12Z))[iso6] C54H100O6 844.752014 NA HMDB2010 NA NA +HMDB11707 TG(15:0/18:1(9Z)/18:1(9Z))[iso3] C54H100O6 844.752014 NA HMDB2010 NA NA +MJ096072 1-Octacosanol; Triacontanoyl C58H116O2 844.897532 NA MeJP NA NA +3152 erythropoietin receptor agonist peptide EGCRRGWVGQCKAWFN 844.91645 MH2+ Inhouse_peptide NA peptide +2640 synthetic fr, of human beta-CN (39-52) ACE inhibitor KIYPSFQPQPLIYP 844.948 MH2+ Inhouse_peptide NA peptide +3323 NA ELYENKPRRPYIL 844.95245 MH2+ Inhouse_peptide NA peptide +PJ051507 GCCCCNDE C27H43N9O14S4 845.1813 NA PeJP NA NA +PJ051508 CCCCNDW C31H43N9O11S4 845.1965 NA PeJP NA NA +PJ051509 SSCCCNDD C27H43N9O16S3 845.199 NA PeJP NA NA +PJ051510 SPCCCCCQ C28H47N9O11S5 845.1999 NA PeJP NA NA +PJ051511 CCDDEMM C29H47N7O14S4 845.2064 NA PeJP NA NA +PJ051512 CCCCMHF C32H47N9O8S5 845.2152 NA PeJP NA NA +PJ051513 GSCCCNEM C28H47N9O13S4 845.2177 NA PeJP NA NA +PJ051514 CCDDDEF C32H43N7O16S2 845.2208 NA PeJP NA NA +PJ051515 CCCDEHH C30H43N11O12S3 845.2255 NA PeJP NA NA +PJ051516 GSCCCCDR C27H47N11O12S4 845.2289 NA PeJP NA NA +PJ051517 DDDDDDH C30H39N9O20 845.2312 NA PeJP NA NA +PJ051518 CCNNDDY C31H43N9O15S2 845.232 NA PeJP NA NA +PJ051519 GGGGCCDDY C31H43N9O15S2 845.2321 NA PeJP NA NA +PJ051520 SCCCNMW C32H47N9O10S4 845.2329 NA PeJP NA NA +PJ051521 SSSCCNDM C28H47N9O15S3 845.2354 NA PeJP NA NA +PJ051522 CCNNMMM C29H51N9O10S5 845.2363 NA PeJP NA NA +PJ051523 SCDDDEY C32H43N7O18S 845.2386 NA PeJP NA NA +PJ051524 PCCDDMY C33H47N7O13S3 845.2394 NA PeJP NA NA +PJ051525 SCDEMMM C30H51N7O13S4 845.2428 NA PeJP NA NA +PJ051526 PCCMMMM C31H55N7O8S6 845.2437 NA PeJP NA NA +PJ051527 CCCCQMR C28H51N11O9S5 845.2475 NA PeJP NA NA +PJ051528 GSSTCCCW C32H47N9O12S3 845.2507 NA PeJP NA NA +PJ051529 GSSSSSCCE C28H47N9O17S2 845.2532 NA PeJP NA NA +PJ051530 GSSCCQMM C29H51N9O12S4 845.254 NA PeJP NA NA +C11442 Aromatized C-1027 chromophore C43H44ClN3O13 845.2563 NA KEGG NA NA +PJ051531 GDDDMMY C33H47N7O15S2 845.2572 NA PeJP NA NA +PJ051532 PCCDMMF C34H51N7O10S4 845.2581 NA PeJP NA NA +PJ051533 CCCCCRR C27H51N13O8S5 845.2588 NA PeJP NA NA +PJ051534 CNNDDEH C30H43N11O16S 845.261 NA PeJP NA NA +PJ051535 GGGACDDDH C30H43N11O16S 845.2611 NA PeJP NA NA +PJ051536 GDMMMMM C31H55N7O10S5 845.2614 NA PeJP NA NA +PJ051537 SCCEMHH C31H47N11O11S3 845.2619 NA PeJP NA NA +PJ051538 GSSCCCMR C28H51N11O11S4 845.2653 NA PeJP NA NA +PJ051539 GCCCQFW C36H47N9O9S3 845.2659 NA PeJP NA NA +PJ051540 SDDDEEH C31H43N9O19 845.2676 NA PeJP NA NA +PJ051541 SSSSSCCW C32H47N9O14S2 845.2684 NA PeJP NA NA +PJ051542 TCCCCKW C33H51N9O9S4 845.2693 NA PeJP NA NA +PJ051543 SSSSSSSCD C28H47N9O19S 845.2709 NA PeJP NA NA +PJ051544 GDDDDFY C36H43N7O17 845.2716 NA PeJP NA NA +PJ051545 SSSSCNMM C29H51N9O14S3 845.2718 NA PeJP NA NA +PJ051546 CDEMYW C37H47N7O12S2 845.2724 NA PeJP NA NA +PJ051547 PCCDDFF C37H47N7O12S2 845.2725 NA PeJP NA NA +PJ051548 CCCQKMM C30H55N9O9S5 845.2727 NA PeJP NA NA +PJ051549 SSDDEMY C33H47N7O17S 845.2749 NA PeJP NA NA +PJ051550 SPCDMMY C34H51N7O12S3 845.2758 NA PeJP NA NA +PJ051551 GCNDDHW C34H43N11O13S 845.2763 NA PeJP NA NA +PJ051552 PCCCHHF C35H47N11O8S3 845.2772 NA PeJP NA NA +PJ051553 GSSNDDDH C30H43N11O18 845.2788 NA PeJP NA NA +PJ051554 SSEMMMM C31H55N7O12S4 845.2792 NA PeJP NA NA +PJ051555 GSPCCNEH C31H47N11O13S2 845.2797 NA PeJP NA NA +PJ051556 GCMMMHH C32H51N11O8S4 845.2805 NA PeJP NA NA +PJ051557 SSSTCCCR C28H51N11O13S3 845.283 NA PeJP NA NA +PJ051558 GSCCQYW C36H47N9O11S2 845.2837 NA PeJP NA NA +PJ051559 CCCCKMR C29H55N11O8S5 845.2839 NA PeJP NA NA +PJ051560 GSSSCNEY C32H47N9O16S 845.2862 NA PeJP NA NA +PJ051561 GCNQMMY C33H51N9O11S3 845.287 NA PeJP NA NA +PJ051562 GGGCQMMY C33H51N9O11S3 845.2871 NA PeJP NA NA +PJ051563 GSSSSSTCM C29H51N9O16S2 845.2895 NA PeJP NA NA +PJ051564 GPCDEYY C37H47N7O14S 845.2902 NA PeJP NA NA +PJ051565 GSSCCKMM C30H55N9O11S4 845.2904 NA PeJP NA NA +PJ051566 CNNNNMH C30H47N13O12S2 845.2909 NA PeJP NA NA +PJ051567 CEMMFW C38H51N7O9S3 845.2911 NA PeJP NA NA +PJ051568 GSEEMMY C34H51N7O14S2 845.2936 NA PeJP NA NA +PJ051569 APCMMMY C35H55N7O9S4 845.2944 NA PeJP NA NA +PJ051570 SPCCNHW C35H47N11O10S2 845.2949 NA PeJP NA NA +PJ051571 SNNDEMH C31H47N11O15S 845.2974 NA PeJP NA NA +PJ051572 ATMMMMM C32H59N7O9S5 845.2978 NA PeJP NA NA +PJ051573 GCCNMRY C32H51N11O10S3 845.2983 NA PeJP NA NA +PJ051574 SSSCNYW C36H47N9O13S 845.3014 NA PeJP NA NA +PJ051575 GGPPCDDW C36H47N9O13S 845.3015 NA PeJP NA NA +PJ051576 GCCCKFW C37H51N9O8S3 845.3023 NA PeJP NA NA +PJ051577 SSSSSNDY C32H47N9O18 845.3039 NA PeJP NA NA +PJ051578 GGPNDEEE C32H47N9O18 845.304 NA PeJP NA NA +PJ051579 SSNNMMY C33H51N9O13S2 845.3048 NA PeJP NA NA +PJ051580 GDDEHHH C33H43N13O14 845.3053 NA PeJP NA NA +PJ051581 PCDYYW C41H47N7O11S 845.3055 NA PeJP NA NA +PJ051582 PPCMMMH C34H55N9O8S4 845.3057 NA PeJP NA NA +PJ051583 SSSSSSSSM C29H51N9O18S 845.3073 NA PeJP NA NA +PJ051584 DQEEYY C37H47N7O16 845.3079 NA PeJP NA NA +PJ051585 NEEEYY C37H47N7O16 845.308 NA PeJP NA NA +PJ051586 SSSTCCKM C30H55N9O13S3 845.3082 NA PeJP NA NA +PJ051587 SCNDDHR C30H47N13O14S 845.3086 NA PeJP NA NA +PJ051588 GGSCDDHR C30H47N13O14S 845.3087 NA PeJP NA NA +PJ051589 SEMMYW C38H51N7O11S2 845.3088 NA PeJP NA NA +PJ051590 CCCKKMM C31H59N9O8S5 845.3091 NA PeJP NA NA +PJ051591 PCCCQHR C31H51N13O9S3 845.3095 NA PeJP NA NA +MJ096073 Perdeacyleuojaponin; 1-(2-Methyl-2-butenoyl)(?-), 2,6,8,9,14-penta-Ac C41H51NO18 845.310613 NA MeJP NA NA +PJ051592 SSTEEMY C34H51N7O16S 845.3113 NA PeJP NA NA +PJ051593 AAEMMMY C35H55N7O11S3 845.3122 NA PeJP NA NA +PJ051594 GSNDMHW C35H47N11O12S 845.3127 NA PeJP NA NA +PJ051595 PNDDDDR C31H47N11O17 845.3152 NA PeJP NA NA +PJ051596 TTTMMMM C32H59N7O11S4 845.3156 NA PeJP NA NA +PJ051597 SSCCQRY C32H51N11O12S2 845.316 NA PeJP NA NA +PJ051598 GGGQEMMH C32H51N11O12S2 845.3161 NA PeJP NA NA +PJ051599 CNNFYW C40H47N9O10S 845.3167 NA PeJP NA NA +PJ051600 GPNDEEW C36H47N9O15 845.3192 NA PeJP NA NA +PJ051601 GSCCKYW C37H51N9O10S2 845.3201 NA PeJP NA NA +PJ051602 DDHHHW C37H43N13O11 845.3205 NA PeJP NA NA +PJ051603 GSSSSQMY C33H51N9O15S 845.3226 NA PeJP NA NA +PJ051604 GEEYYW C41H47N7O13 845.3232 NA PeJP NA NA +PJ051605 DMMMRY C34H55N9O10S3 845.3234 NA PeJP NA NA +PJ051606 GGGPPPCMM C34H55N9O10S3 845.3235 NA PeJP NA NA +PJ051607 SPCEHHH C34H47N13O11S 845.3239 NA PeJP NA NA +PJ051608 PCMFYW C42H51N7O8S2 845.3241 NA PeJP NA NA +PJ051609 SSSSNNNH C30H47N13O16 845.3264 NA PeJP NA NA +PJ051610 GGGGGGGGGGGAE C30H47N13O16 845.3265 NA PeJP NA NA +PJ051611 GSPEMYY C38H51N7O13S 845.3266 NA PeJP NA NA +PJ051612 GCNEMHR C31H51N13O11S2 845.3273 NA PeJP NA NA +PJ051613 CLMMYW C39H55N7O8S3 845.3275 NA PeJP NA NA +PJ051614 SCQHWW C39H47N11O9S 845.3279 NA PeJP NA NA +PJ051615 PVDEEEE C34H51N7O18 845.3291 NA PeJP NA NA +PJ051616 ATTEMMY C35H55N7O13S2 845.3299 NA PeJP NA NA +PJ051617 SSVEMMY C35H55N7O13S2 845.33 NA PeJP NA NA +PJ051618 SSSNEHW C35H47N11O14 845.3304 NA PeJP NA NA +PJ051619 GGGGGGSPDW C35H47N11O14 845.3305 NA PeJP NA NA +PJ051620 GVMMMMF C36H59N7O8S4 845.3308 NA PeJP NA NA +PJ051621 NQMMHW C36H51N11O9S2 845.3313 NA PeJP NA NA +PJ051622 GSSSSCRY C32H51N11O14S 845.3338 NA PeJP NA NA +PJ051623 SNNYYW C40H47N9O12 845.3344 NA PeJP NA NA +PJ051624 PNDEWW C40H47N9O12 845.3345 NA PeJP NA NA +PJ051625 ACCCKRY C33H55N11O9S3 845.3347 NA PeJP NA NA +PJ051626 GNNMHHH C33H47N15O10S 845.3351 NA PeJP NA NA +PJ051627 GGGNMHHH C33H47N15O10S 845.3352 NA PeJP NA NA +PJ051628 SPPNDMW C37H51N9O12S 845.3378 NA PeJP NA NA +PJ051629 EYYWW C45H47N7O10 845.3385 NA PeJP NA NA +PJ051630 SSSSSTQY C33H51N9O17 845.3403 NA PeJP NA NA +PJ051631 SSCQKMY C34H55N9O12S2 845.3412 NA PeJP NA NA +PJ051632 GNNNNQW C34H47N13O13 845.3417 NA PeJP NA NA +PJ051633 SPMYYW C42H51N7O10S 845.3418 NA PeJP NA NA +PJ051634 GPCEFFF C42H51N7O10S 845.3419 NA PeJP NA NA +PJ051635 MMMMFR C35H59N9O7S4 845.3421 NA PeJP NA NA +PJ051636 CNMHRW C35H51N13O8S2 845.3425 NA PeJP NA NA +PJ051637 DKEEYY C38H51N7O15 845.3443 NA PeJP NA NA +PJ051638 PPPDEEY C38H51N7O15 845.3444 NA PeJP NA NA +PJ051639 SSNDMHR C31H51N13O13S 845.345 NA PeJP NA NA +PJ051640 GGGGPCNER C31H51N13O13S 845.3451 NA PeJP NA NA +PJ051641 AAPMMYY C39H55N7O10S2 845.3452 NA PeJP NA NA +PJ051642 GSSSHWW C39H47N11O11 845.3457 NA PeJP NA NA +PJ051643 PCCCKHR C32H55N13O8S3 845.3459 NA PeJP NA NA +MJ096074 Marcellomycin C42H55NO17 845.346999 NA MeJP NA NA +PJ051644 TTTTEMY C35H55N7O15S 845.3477 NA PeJP NA NA +PJ051645 GTLMMMY C36H59N7O10S3 845.3486 NA PeJP NA NA +PJ051646 CNQRYY C36H51N11O11S 845.349 NA PeJP NA NA +PJ051647 GSTQMHW C36H51N11O11S 845.3491 NA PeJP NA NA +PJ051648 GPDWWW C44H47N9O9 845.3497 NA PeJP NA NA +PJ051649 ASSSTQEH C32H51N11O16 845.3515 NA PeJP NA NA +PJ051650 SPNDEER C32H51N11O16 845.3516 NA PeJP NA NA +PJ051651 SSCCKRY C33H55N11O11S2 845.3524 NA PeJP NA NA +PJ051652 GGGGAPPCCK C33H55N11O11S2 845.3525 NA PeJP NA NA +PJ051653 SSNQHHH C33H47N15O12 845.3529 NA PeJP NA NA +PJ051654 GPPTCWW C41H51N9O9S 845.3531 NA PeJP NA NA +PJ051655 GPTQEEW C37H51N9O14 845.3556 NA PeJP NA NA +PJ051656 APPNMMW C38H55N9O9S2 845.3564 NA PeJP NA NA +PJ051657 LEMMHW C38H55N9O9S2 845.3565 NA PeJP NA NA +PJ051658 TEHHHW C38H47N13O10 845.3569 NA PeJP NA NA +PJ051659 PCFFFW C46H51N7O7S 845.3571 NA PeJP NA NA +PJ051660 GSSSSKMY C34H55N9O14S 845.3589 NA PeJP NA NA +PJ051661 STLEEMH C34H55N9O14S 845.359 NA PeJP NA NA +PJ051662 SVEYYW C42H51N7O12 845.3596 NA PeJP NA NA +PJ051663 ACCKKMY C35H59N9O9S3 845.3598 NA PeJP NA NA +PJ051664 GSTCHRW C35H51N13O10S 845.3603 NA PeJP NA NA +PJ051665 CLMFFW C43H55N7O7S2 845.3605 NA PeJP NA NA +PJ051666 GNHFWW C43H47N11O8 845.3609 NA PeJP NA NA +PJ051667 GGGHFWW C43H47N11O8 845.361 NA PeJP NA NA +PJ051668 GSSSSEHR C31H51N13O15 845.3628 NA PeJP NA NA +PJ051669 LQEMYY C39H55N7O12S 845.363 NA PeJP NA NA +PJ051670 PPCCDRR C32H55N13O10S2 845.3637 NA PeJP NA NA +PJ051671 SCKHWW C40H51N11O8S 845.3643 NA PeJP NA NA +PJ051672 PTLEEEE C35H55N7O17 845.3655 NA PeJP NA NA +PJ051673 STTLMMY C36H59N7O12S2 845.3663 NA PeJP NA NA +PJ051674 GSPDERW C36H51N11O13 845.3668 NA PeJP NA NA +PJ051675 GPPCMRW C37H55N11O8S2 845.3677 NA PeJP NA NA +PJ051676 GPQEEMR C33H55N11O13S 845.3702 NA PeJP NA NA +PJ051677 PTQEWW C41H51N9O11 845.3708 NA PeJP NA NA +PJ051678 GGGPPEFW C41H51N9O11 845.3709 NA PeJP NA NA +PJ051679 PCCKKMH C34H59N11O8S3 845.3711 NA PeJP NA NA +PJ051680 EMHHHR C34H51N15O9S 845.3715 NA PeJP NA NA +PJ051681 GNNDDRR C30H51N15O14 845.374 NA PeJP NA NA +PJ051682 GGGGGDDRR C30H51N15O14 845.3741 NA PeJP NA NA +PJ051683 GPVQEMW C38H55N9O11S 845.3742 NA PeJP NA NA +PJ051684 APFYYW C46H51N7O9 845.3749 NA PeJP NA NA +PJ051685 VMHHHW C39H51N13O7S 845.3756 NA PeJP NA NA +PJ051686 SSSSSTKY C34H55N9O16 845.3767 NA PeJP NA NA +PJ051687 SSCKKMY C35H59N9O11S2 845.3776 NA PeJP NA NA +PJ051688 SSSSHRW C35H51N13O12 845.378 NA PeJP NA NA +PJ051689 GGNQERW C35H51N13O12 845.3781 NA PeJP NA NA +PJ051690 ALMYYW C43H55N7O9S 845.3782 NA PeJP NA NA +PJ051691 AAHHHHH C36H47N17O8 845.3794 NA PeJP NA NA +PJ051692 GTTLEYY C39H55N7O14 845.3807 NA PeJP NA NA +PJ051693 GPDDMRR C32H55N13O12S 845.3814 NA PeJP NA NA +PJ051694 AALMMFY C40H59N7O9S2 845.3816 NA PeJP NA NA +PJ051695 SPDRWW C40H51N11O10 845.3821 NA PeJP NA NA +PJ051696 PVLEEEM C36H59N7O14S 845.3841 NA PeJP NA NA +PJ051697 PQEMRW C37H55N11O10S 845.3854 NA PeJP NA NA +PJ051698 GAPEMRW C37H55N11O10S 845.3855 NA PeJP NA NA +PJ051699 APTWWW C45H51N9O8 845.3861 NA PeJP NA NA +PJ051700 SPTQEER C33H55N11O15 845.3879 NA PeJP NA NA +PJ051701 GVQEEER C33H55N11O15 845.388 NA PeJP NA NA +PJ051702 SPPQMMR C34H59N11O10S2 845.3888 NA PeJP NA NA +PJ051703 GPNEHHR C34H51N15O11 845.3893 NA PeJP NA NA +PJ051704 PVQMWW C42H55N9O8S 845.3895 NA PeJP NA NA +PJ051705 ASSQKYY C38H55N9O13 845.3919 NA PeJP NA NA +PJ051706 GPTKEEW C38H55N9O13 845.392 NA PeJP NA NA +PJ051707 SSTCHRR C31H55N15O11S 845.3927 NA PeJP NA NA +PJ051708 GPPKMMW C39H59N9O8S2 845.3928 NA PeJP NA NA +PJ051709 GNQRWW C39H51N13O9 845.3933 NA PeJP NA NA +PJ051710 PVNKEEM C35H59N9O13S 845.3953 NA PeJP NA NA +PJ051711 GGPVKEEM C35H59N9O13S 845.3954 NA PeJP NA NA +PJ051712 TTLYYW C43H55N7O11 845.396 NA PeJP NA NA +PJ051713 ALLMMMH C36H63N9O8S3 845.3962 NA PeJP NA NA +PJ051714 PCERRW C36H55N13O9S 845.3967 NA PeJP NA NA +PJ051715 QEEERR C32H55N13O14 845.3992 NA PeJP NA NA +PJ051716 LKEMYY C40H59N7O11S 845.3994 NA PeJP NA NA +PJ051717 ATCKMHR C33H59N13O9S2 845.4 NA PeJP NA NA +PJ051718 SPPCMRR C33H59N13O9S2 845.4001 NA PeJP NA NA +PJ051719 APMRWW C41H55N11O7S 845.4007 NA PeJP NA NA +PJ051720 VVLEEEE C36H59N7O16 845.4019 NA PeJP NA NA +PJ051721 VQEERW C37H55N11O12 845.4032 NA PeJP NA NA +PJ051722 PNHHRW C38H51N15O8 845.4045 NA PeJP NA NA +PJ051723 GGPHHRW C38H51N15O8 845.4046 NA PeJP NA NA +PJ051724 GPKEEMR C34H59N11O12S 845.4066 NA PeJP NA NA +PJ051725 PTKEWW C42H55N9O10 845.4072 NA PeJP NA NA +PJ051726 CQHFRR C35H55N15O8S 845.4079 NA PeJP NA NA +PJ051727 DDERRR C31H55N15O13 845.4104 NA PeJP NA NA +PJ051728 GPVKEMW C39H59N9O10S 845.4106 NA PeJP NA NA +PJ051729 ALFFYW C47H55N7O8 845.4112 NA PeJP NA NA +PJ051730 SPKKEEE C35H59N9O15 845.4131 NA PeJP NA NA +PJ051731 TTLLMMH C36H63N9O10S2 845.414 NA PeJP NA NA +PJ051732 AEERRW C36H55N13O11 845.4144 NA PeJP NA NA +PJ051733 GGGGKERW C36H55N13O11 845.4145 NA PeJP NA NA +PJ051734 AALMFFF C44H59N7O8S 845.4146 NA PeJP NA NA +PJ051735 SSTLLYY C40H59N7O13 845.4171 NA PeJP NA NA +PJ051736 GPTEMRR C33H59N13O11S 845.4178 NA PeJP NA NA +PJ051737 AQQKWW C41H55N11O9 845.4184 NA PeJP NA NA +PJ051738 GLERWW C41H55N11O9 845.4185 NA PeJP NA NA +PJ051739 PKEMRW C38H59N11O9S 845.4218 NA PeJP NA NA +PJ051740 GVLWWW C46H55N9O7 845.4225 NA PeJP NA NA +PJ051741 GVKEEER C34H59N11O14 845.4243 NA PeJP NA NA +PJ051742 GGGAAKKEE C34H59N11O14 845.4244 NA PeJP NA NA +PJ051743 SPPKMMR C35H63N11O9S2 845.4252 NA PeJP NA NA +PJ051744 SNQRRW C35H55N15O10 845.4257 NA PeJP NA NA +PJ051745 PVKMWW C43H59N9O7S 845.4259 NA PeJP NA NA +PJ051746 ASLLQEW C39H59N9O12 845.4283 NA PeJP NA NA +PJ051747 AALKEEW C39H59N9O12 845.4284 NA PeJP NA NA +PJ051748 QQQMRR C32H59N15O10S 845.429 NA PeJP NA NA +PJ051749 GGAAQMRR C32H59N15O10S 845.4291 NA PeJP NA NA +PJ051750 GNKRWW C40H55N13O8 845.4297 NA PeJP NA NA +PJ051751 PVDKKEM C36H63N9O12S 845.4317 NA PeJP NA NA +PJ051752 PLKYYY C44H59N7O10 845.4324 NA PeJP NA NA +PJ051753 PTMRRW C37H59N13O8S 845.4331 NA PeJP NA NA +PJ051754 LRWWW C45H55N11O6 845.4337 NA PeJP NA NA +PJ051755 KEEERR C33H59N13O13 845.4356 NA PeJP NA NA +PJ051756 PPLLEMF C41H63N7O10S 845.4358 NA PeJP NA NA +PJ051757 GPVMMRR C34H63N13O8S2 845.4364 NA PeJP NA NA +PJ051758 GSPHHRR C34H55N17O9 845.4369 NA PeJP NA NA +PJ051759 TLLLEEE C37H63N7O15 845.4383 NA PeJP NA NA +PJ051760 PLLLEMM C38H67N7O10S2 845.4391 NA PeJP NA NA +PJ051761 VKEERW C38H59N11O11 845.4396 NA PeJP NA NA +PJ051762 NNMRRR C31H59N17O9S 845.4403 NA PeJP NA NA +PJ051763 LHHHFR C39H55N15O7 845.4409 NA PeJP NA NA +PJ051764 SPQQKKM C35H63N11O11S 845.4429 NA PeJP NA NA +PJ051765 SPVKEMR C35H63N11O11S 845.443 NA PeJP NA NA +PJ051766 VVKEWW C43H59N9O9 845.4436 NA PeJP NA NA +PJ051767 CKHFRR C36H59N15O7S 845.4443 NA PeJP NA NA +PJ051768 TEERRR C32H59N15O12 845.4468 NA PeJP NA NA +PJ051769 APTLKMW C40H63N9O9S 845.447 NA PeJP NA NA +PJ051770 PMMRRR C33H63N15O7S2 845.4477 NA PeJP NA NA +PJ051771 ALKKEEE C36H63N9O14 845.4495 NA PeJP NA NA +PJ051772 PVLQKMM C37H67N9O9S2 845.4504 NA PeJP NA NA +PJ051773 SLERRW C37H59N13O10 845.4508 NA PeJP NA NA +PJ051774 PVLLEEF C41H63N7O12 845.4535 NA PeJP NA NA +PJ051775 AALEMRR C34H63N13O10S 845.4542 NA PeJP NA NA +PJ051776 SVLRWW C42H59N11O8 845.4548 NA PeJP NA NA +PJ051777 GAAKKWW C42H59N11O8 845.4549 NA PeJP NA NA +PJ051778 VLLLEEM C38H67N7O12S 845.4569 NA PeJP NA NA +PJ051779 GSSQRRR C31H59N17O11 845.458 NA PeJP NA NA +PJ051780 LLQMRW C39H63N11O8S 845.4582 NA PeJP NA NA +MJ096075 Rotihibin B; 2''-Amide C35H63N11O13 845.460681 NA MeJP NA NA +PJ051781 ATLKEER C35H63N11O13 845.4607 NA PeJP NA NA +MJ096076 Myomodulin A C36H67N11O8S2 845.461549 NA MeJP NA NA +PJ051782 APLKMMR C36H67N11O8S2 845.4616 NA PeJP NA NA +PJ051783 SNKRRW C36H59N15O9 845.4621 NA PeJP NA NA +PJ051784 GTLLKEW C40H63N9O11 845.4647 NA PeJP NA NA +PJ051785 GGGGPLLLY C40H63N9O11 845.4648 NA PeJP NA NA +PJ051786 VEMRRR C33H63N15O9S 845.4654 NA PeJP NA NA +PJ051787 PTLKKEM C37H67N9O11S 845.4681 NA PeJP NA NA +PJ051788 LLKFYY C45H63N7O9 845.4688 NA PeJP NA NA +PJ051789 VVMRRW C38H63N13O7S 845.4695 NA PeJP NA NA +PJ051790 ATTLERR C34H63N13O12 845.4719 NA PeJP NA NA +PJ051791 GGATKKER C34H63N13O12 845.472 NA PeJP NA NA +PJ051792 PPLLLMY C42H67N7O9S 845.4721 NA PeJP NA NA +PJ051793 LQHHRR C35H59N17O8 845.4733 NA PeJP NA NA +PJ051794 GTTLLRW C39H63N11O10 845.476 NA PeJP NA NA +PJ051795 CQKRRR C32H63N17O8S 845.4767 NA PeJP NA NA +MJ096077 Spiramycin S; 18-Aldehyde C42H71NO16 845.477285 NA MeJP NA NA +PJ051796 VVVDKMR C36H67N11O10S 845.4793 NA PeJP NA NA +PJ051797 GLLKEMR C36H67N11O10S 845.4794 NA PeJP NA NA +PJ051798 TLLKWW C44H63N9O8 845.48 NA PeJP NA NA +PJ051799 GSDKKRR C33H63N15O11 845.4832 NA PeJP NA NA +PJ051800 GVLLKMW C41H67N9O8S 845.4834 NA PeJP NA NA +PJ051801 SLLKKEE C37H67N9O13 845.4859 NA PeJP NA NA +PJ051802 PVLKKMM C38H71N9O8S2 845.4867 NA PeJP NA NA +PJ051803 TQKKRW C38H63N13O9 845.4872 NA PeJP NA NA +PJ051804 PVLLLEY C42H67N7O11 845.4899 NA PeJP NA NA +PJ051805 GTLLMRR C35H67N13O9S 845.4906 NA PeJP NA NA +PJ051806 AKKKWW C43H63N11O7 845.4912 NA PeJP NA NA +PJ051807 GSSKRRR C32H63N17O10 845.4944 NA PeJP NA NA +PJ051808 LLKMRW C40H67N11O7S 845.4946 NA PeJP NA NA +PJ051809 STLLKER C36H67N11O12 845.4971 NA PeJP NA NA +PJ051810 PVRRRY C37H63N15O8 845.4984 NA PeJP NA NA +PJ051811 APPLHRR C37H63N15O8 845.4985 NA PeJP NA NA +PJ051812 SSLLLKW C41H67N9O10 845.5011 NA PeJP NA NA +PJ051813 QKKMRR C34H67N15O8S 845.5018 NA PeJP NA NA +PJ051814 VVLKKEM C38H71N9O10S 845.5045 NA PeJP NA NA +PJ051815 PPLLLFF C46H67N7O8 845.5052 NA PeJP NA NA +PJ051816 STTLLRR C35H67N13O11 845.5083 NA PeJP NA NA +PJ051817 GGGGSKKKK C35H67N13O11 845.5084 NA PeJP NA NA +PJ051818 PLLLLMF C43H71N7O8S 845.5085 NA PeJP NA NA +PJ051819 LKHHRR C36H63N17O7 845.5097 NA PeJP NA NA +PJ051820 LLLLLMM C40H75N7O8S2 845.5119 NA PeJP NA NA +PJ051821 KKKKEW C40H67N11O9 845.5124 NA PeJP NA NA +PJ051822 CKKRRR C33H67N17O7S 845.5131 NA PeJP NA NA +PJ051823 SVLLKMR C37H71N11O9S 845.5157 NA PeJP NA NA +PJ051824 GTTKKRR C34H67N15O10 845.5196 NA PeJP NA NA +PJ051825 ASTTLLLK C38H71N9O12 845.5222 NA PeJP NA NA +PJ051826 GTTTLLLK C38H71N9O12 845.5223 NA PeJP NA NA +PJ051827 TKKKRW C39H67N13O8 845.5236 NA PeJP NA NA +PJ051828 VLLLLEF C43H71N7O10 845.5263 NA PeJP NA NA +PJ051829 GVKKKMR C36H71N13O8S 845.527 NA PeJP NA NA +PJ051830 SVKKKKE C37H71N11O11 845.5335 NA PeJP NA NA +PJ051831 VLFRRR C38H67N15O7 845.5348 NA PeJP NA NA +PJ051832 PVVLKKY C42H71N9O9 845.5375 NA PeJP NA NA +PJ051833 KKKMRR C35H71N15O7S 845.5382 NA PeJP NA NA +PJ051834 TLLLKKM C39H75N9O9S 845.5409 NA PeJP NA NA +PJ051835 SSLKKKR C36H71N13O10 845.5447 NA PeJP NA NA +PJ051836 AVLLKFR C41H71N11O8 845.5487 NA PeJP NA NA +PJ051837 GLLLKFR C41H71N11O8 845.5488 NA PeJP NA NA +PJ051838 ALKKKKM C38H75N11O8S 845.5521 NA PeJP NA NA +PJ051839 VLLLLLY C44H75N7O9 845.5627 NA PeJP NA NA +PJ051840 TTLKKKK C38H75N11O10 845.5699 NA PeJP NA NA +PJ051841 VVLLKKF C43H75N9O8 845.5739 NA PeJP NA NA +HMDB09540 PE(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C49H84NO8P 845.593445 NA HMDB2010 NA NA +HMDB09571 PE(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C49H84NO8P 845.593445 NA HMDB2010 NA NA +HMDB09572 PE(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C49H84NO8P 845.593445 NA HMDB2010 NA NA +HMDB09635 PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)) C49H84NO8P 845.593445 NA HMDB2010 NA NA +HMDB09668 PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)) C49H84NO8P 845.593445 NA HMDB2010 NA NA +HMDB09700 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z)) C49H84NO8P 845.593445 NA HMDB2010 NA NA +EUR968 PC 36:2 [M-H+acetate]- C44H84NO8P 845.614557 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR968 PC 36:2 [M-H+acetate]- C44H84NO8P 845.614557 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR968 PC 36:2 [M-H+acetate]- C44H84NO8P 845.614557 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR968 PC 36:2 [M-H+acetate]- C44H84NO8P 845.614557 masses lipides attendues Inhousejuil11 NA NA +HMDB07992 PC(16:0/24:0) C48H96NO8P 845.687378 NA HMDB2010 NA NA +HMDB08051 PC(18:0/22:0) C48H96NO8P 845.687378 NA HMDB2010 NA NA +HMDB08274 PC(20:0/20:0) C48H96NO8P 845.687378 NA HMDB2010 NA NA +HMDB08530 PC(22:0/18:0) C48H96NO8P 845.687378 NA HMDB2010 NA NA +HMDB08758 PC(24:0/16:0) C48H96NO8P 845.687378 NA HMDB2010 NA NA +MJ096078 2-Amino-1,3,4-octadecanetriol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-glucopyranoside C48H95NO10 845.695598 NA MeJP NA NA +MJ096079 2-Amino-16-methyl-1,3,4-heptadecanetriol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-galactopyranoside C48H95NO10 845.695598 NA MeJP NA NA +MJ096080 2-Amino-16-methyl-1,3,4-heptadecanetriol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-glucopyranoside C48H95NO10 845.695598 NA MeJP NA NA +MJ096081 2-Amino-16-methyl-1,3,4-heptadecanetriol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-galactopyranoside C48H95NO10 845.695598 NA MeJP NA NA +MJ096082 Aerothionin; 2'',3''-Dihydroxy C24H26Br4N4O10 845.838243 NA MeJP NA NA +PJ051842 GCCCCDDE C27H42N8O15S4 846.1653 NA PeJP NA NA +PJ051843 CCCCDDW C31H42N8O12S4 846.1805 NA PeJP NA NA +PJ051844 SSCCCDDD C27H42N8O17S3 846.183 NA PeJP NA NA +PJ051845 SPCCCCCE C28H46N8O12S5 846.1839 NA PeJP NA NA +PJ051846 GCCCCNNM C27H46N10O11S5 846.1951 NA PeJP NA NA +PJ051847 GGGCCCCNM C27H46N10O11S5 846.1952 NA PeJP NA NA +MJ096083 6-Glucosyl-4',4''',5,5'',7,7''-hexahydroxy-6''-xylosyl-8,8''-biflavone; 5''-Me ether C42H38O19 846.200729 NA MeJP NA NA +PJ051848 GSCCCDEM C28H46N8O14S4 846.2017 NA PeJP NA NA +PJ051849 GPCCCCMM C29H50N8O9S6 846.2025 NA PeJP NA NA +PJ051850 SSCCCCNQ C27H46N10O13S4 846.2129 NA PeJP NA NA +PJ051851 CCNDDDY C31H42N8O16S2 846.2161 NA PeJP NA NA +PJ051852 SCCCDMW C32H46N8O11S4 846.2169 NA PeJP NA NA +PJ051853 SSSCCDDM C28H46N8O16S3 846.2194 NA PeJP NA NA +PJ051854 CCNDMMM C29H50N8O11S5 846.2203 NA PeJP NA NA +FL5FADGS0029 Isorhamnetin 3-(6''-(E)-sinapoylsophoroside);Quercetin 3'-methyl ether 3-(6''-(E)-sinapoylsophoroside) C39H42O21 846.22185 - knapsack NA NA +MJ096084 3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(?2)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C39H42O21 846.221858 NA MeJP NA NA +HMDB03327 Mesohydroxy uroporphyrin III C40H38N4O17 846.223206 NA HMDB2010 NA NA +HMDB03329 Hydroxyacetic acid uroporphyrin III C40H38N4O17 846.223206 NA HMDB2010 NA NA +HMDB03330 Peroxyacetic acid uroporphyrin III C40H38N4O17 846.223206 NA HMDB2010 NA NA +HMDB03327 Mesohydroxy uroporphyrin III C40H38N4O17 846.22321 http://www.hmdb.ca/metabolites/HMDB03327 HMDB NA NA +HMDB03329 Hydroxyacetic acid uroporphyrin III C40H38N4O17 846.22321 http://www.hmdb.ca/metabolites/HMDB03329 HMDB NA NA +HMDB03330 Peroxyacetic acid uroporphyrin III C40H38N4O17 846.22321 http://www.hmdb.ca/metabolites/HMDB03330 HMDB NA NA +HMDB03327 Mesohydroxy uroporphyrin III C40H38N4O17 846.22321 HMDB03327 PFEM_hmdb_metabocards_official NA NA +HMDB03329 Hydroxyacetic acid uroporphyrin III C40H38N4O17 846.22321 HMDB03329 PFEM_hmdb_metabocards_official NA NA +HMDB03330 Peroxyacetic acid uroporphyrin III C40H38N4O17 846.22321 HMDB03330 PFEM_hmdb_metabocards_official NA NA +PJ051855 GSSSSCCCN C27H46N10O15S3 846.2307 NA PeJP NA NA +PJ051856 CCCCEMR C28H50N10O10S5 846.2315 NA PeJP NA NA +PJ051857 GSPCCCDY C32H46N8O13S3 846.2347 NA PeJP NA NA +PJ051858 VCCCCMW C33H50N8O8S5 846.2355 NA PeJP NA NA +PJ051859 ACCCMMW C33H50N8O8S5 846.2356 NA PeJP NA NA +PJ051860 GSSCCEMM C29H50N8O13S4 846.2381 NA PeJP NA NA +PJ051861 CCCNMHH C30H46N12O9S4 846.2394 NA PeJP NA NA +MJ096085 Phytosulfokine ? C33H46N6O16S2 846.24117 NA MeJP NA NA +PJ051862 CNDDDEH C30H42N10O17S 846.2451 NA PeJP NA NA +PJ051863 CCCNNQY C31H46N10O12S3 846.2459 NA PeJP NA NA +PJ051864 SSCCCCNK C28H50N10O12S4 846.2493 NA PeJP NA NA +PJ051865 GCCCEFW C36H46N8O10S3 846.2499 NA PeJP NA NA +PJ051866 SCNDDMY C32H46N8O15S2 846.2524 NA PeJP NA NA +PJ051867 SSCCMMW C33H50N8O10S4 846.2533 NA PeJP NA NA +PJ051868 SSSSCDMM C29H50N8O15S3 846.2558 NA PeJP NA NA +PJ051869 SCNMMMM C30H54N8O10S5 846.2567 NA PeJP NA NA +PJ051870 GSTCCCHH C30H46N12O11S3 846.2572 NA PeJP NA NA +MJ096086 Premnoside B; 3'''-Methoxy C40H46O20 846.258243 NA MeJP NA NA +PJ051871 GCDDDHW C34H42N10O14S 846.2603 NA PeJP NA NA +PJ051872 GSSDDDDH C30H42N10O19 846.2628 NA PeJP NA NA +PJ051873 GSSCCNNY C31H46N10O14S2 846.2637 NA PeJP NA NA +PJ051874 PCCCCRY C32H50N10O9S4 846.2645 NA PeJP NA NA +PJ051875 GPPCCCMH C32H50N10O9S4 846.2646 NA PeJP NA NA +PJ051876 CCCFWW C40H46N8O7S3 846.2652 NA PeJP NA NA +PJ051877 GSCCEYW C36H46N8O12S2 846.2677 NA PeJP NA NA +PJ051878 TCCCMMR C29H54N10O9S5 846.2679 NA PeJP NA NA +PJ051879 GSSSCDEY C32H46N8O17S 846.2702 NA PeJP NA NA +PJ051880 GCNEMMY C33H50N8O12S3 846.2711 NA PeJP NA NA +PJ051881 GSSTCMMM C30H54N8O12S4 846.2744 NA PeJP NA NA +PJ051882 SSSSCCHH C30H46N12O13S2 846.2749 NA PeJP NA NA +PJ051883 SPCCDHW C35H46N10O11S2 846.2789 NA PeJP NA NA +PJ051884 SNDDEMH C31H46N10O16S 846.2814 NA PeJP NA NA +PJ051885 GCCDMRY C32H50N10O11S3 846.2823 NA PeJP NA NA +PJ051886 SCCYWW C40H46N8O9S2 846.2829 NA PeJP NA NA +PJ051887 SSSCDYW C36H46N8O14S 846.2854 NA PeJP NA NA +PJ051888 PPCDDDW C36H46N8O14S 846.2855 NA PeJP NA NA +PJ051889 CNMMYW C37H50N8O9S3 846.2863 NA PeJP NA NA +PJ051890 SSSSSDDY C32H46N8O19 846.2879 NA PeJP NA NA +PJ051891 PNDDEEE C32H46N8O19 846.288 NA PeJP NA NA +PJ051892 SSNDMMY C33H50N8O14S2 846.2888 NA PeJP NA NA +PJ051893 PCCCKMY C34H54N8O9S4 846.2897 NA PeJP NA NA +PJ051894 GCCNQHW C34H46N12O10S2 846.2902 NA PeJP NA NA +PJ051895 DEEEYY C37H46N6O17 846.292 NA PeJP NA NA +PJ051896 SSSSSMMM C30H54N8O14S3 846.2922 NA PeJP NA NA +PJ051897 SCDDDHR C30H46N12O15S 846.2927 NA PeJP NA NA +PJ051898 TCCKMMM C31H58N8O9S5 846.2931 NA PeJP NA NA +PJ051899 PCCCEHR C31H50N12O10S3 846.2935 NA PeJP NA NA +PJ051900 GSDDMHW C35H46N10O13S 846.2967 NA PeJP NA NA +PJ051901 APCCMHW C36H50N10O8S3 846.2976 NA PeJP NA NA +PJ051902 PDDDDDR C31H46N10O18 846.2992 NA PeJP NA NA +PJ051903 SSCCERY C32H50N10O13S2 846.3001 NA PeJP NA NA +PJ051904 CNDFYW C40H46N8O11S 846.3007 NA PeJP NA NA +PJ051905 GCCMMFR C33H54N10O8S4 846.3009 NA PeJP NA NA +PJ051906 PCCNHHH C33H46N14O9S2 846.3014 NA PeJP NA NA +PJ051907 GPDDEEW C36H46N8O16 846.3032 NA PeJP NA NA +PJ051908 GSTCMYW C37H50N8O11S2 846.3041 NA PeJP NA NA +PJ051909 GSSSSEMY C33H50N8O16S 846.3066 NA PeJP NA NA +PJ051910 GSQMMMY C34H54N8O11S3 846.3074 NA PeJP NA NA +PJ051911 GGGTMMMY C34H54N8O11S3 846.3075 NA PeJP NA NA +PJ051912 SSCNNHW C34H46N12O12S 846.3079 NA PeJP NA NA +PJ051913 SSSSNNDH C30H46N12O17 846.3104 NA PeJP NA NA +PJ051914 GGGGGGGGNEE C30H46N12O17 846.3105 NA PeJP NA NA +PJ051915 EEEMFY C38H50N6O14S 846.3106 NA PeJP NA NA +PJ051916 GCDEMHR C31H50N12O12S2 846.3113 NA PeJP NA NA +PJ051917 SCEHWW C39H46N10O10S 846.3119 NA PeJP NA NA +PJ051918 SSSDEHW C35H46N10O15 846.3144 NA PeJP NA NA +PJ051919 GGSPNDDW C35H46N10O15 846.3145 NA PeJP NA NA +PJ051920 NEMMHW C36H50N10O10S2 846.3153 NA PeJP NA NA +PJ051921 SSQEEMH C32H50N10O15S 846.3178 NA PeJP NA NA +PJ051922 PDDEWW C40H46N8O13 846.3185 NA PeJP NA NA +PJ051923 GSCMMRY C33H54N10O10S3 846.3187 NA PeJP NA NA +PJ051924 GNDMHHH C33H46N14O11S 846.3192 NA PeJP NA NA +MJ096087 Pusilatin A C56H46O8 846.319268 NA MeJP NA NA +MJ096088 Pusilatin B C56H46O8 846.319268 NA MeJP NA NA +MJ096089 Pusilatin C C56H46O8 846.319268 NA MeJP NA NA +MJ096090 Pusilatin D C56H46O8 846.319268 NA MeJP NA NA +PJ051925 CNMFFW C41H50N8O8S2 846.3193 NA PeJP NA NA +PJ051926 GSNNNNNN C29H46N14O16 846.3216 NA PeJP NA NA +PJ051927 GGGSNNNNN C29H46N14O16 846.3217 NA PeJP NA NA +PJ051928 SSSSMYW C37H50N8O13S 846.3218 NA PeJP NA NA +MJ096091 Phallacidin C37H50N8O13S 846.321804 NA MeJP NA NA +PJ051929 GPPPCDDF C37H50N8O13S 846.3219 NA PeJP NA NA +PJ051930 SCCNQHR C30H50N14O11S2 846.3225 NA PeJP NA NA +PJ051931 PCCCKFF C38H54N8O8S3 846.3227 NA PeJP NA NA +PJ051932 SSSSSTEY C33H50N8O18 846.3243 NA PeJP NA NA +PJ051933 GGPTEEEE C33H50N8O18 846.3244 NA PeJP NA NA +PJ051934 SSTQMMY C34H54N8O13S2 846.3252 NA PeJP NA NA +PJ051935 GNNNNEW C34H46N12O14 846.3257 NA PeJP NA NA +PJ051936 GCKMMMF C35H58N8O8S4 846.3261 NA PeJP NA NA +PJ051937 GCCNKHW C35H50N12O9S2 846.3265 NA PeJP NA NA +PJ051938 CDMHRW C35H50N12O9S2 846.3266 NA PeJP NA NA +PJ051939 GSSSNQMH C31H50N12O14S 846.329 NA PeJP NA NA +PJ051940 SSDDMHR C31H50N12O14S 846.3291 NA PeJP NA NA +PJ051941 NDEHFW C39H46N10O12 846.3297 NA PeJP NA NA +PJ051942 PTCCMHR C32H54N12O9S3 846.3299 NA PeJP NA NA +PJ051943 GMMHWW C40H50N10O7S2 846.3306 NA PeJP NA NA +PJ051944 GSTEMHW C36H50N10O12S 846.3331 NA PeJP NA NA +PJ051945 CQHHHW C37H46N14O8S 846.3344 NA PeJP NA NA +PJ051946 SPDDEER C32H50N10O17 846.3356 NA PeJP NA NA +PJ051947 SSTCMRY C33H54N10O12S2 846.3364 NA PeJP NA NA +PJ051948 GAATEMMH C33H54N10O12S2 846.3365 NA PeJP NA NA +PJ051949 SSNEHHH C33H46N14O13 846.3369 NA PeJP NA NA +PJ051950 GQMYYW C41H50N8O10S 846.3371 NA PeJP NA NA +PJ051951 GPTEEEW C37H50N8O15 846.3396 NA PeJP NA NA +MJ096092 Naphthomycin I C45H54N2O12S 846.339745 NA MeJP NA NA +MJ096093 Naphthomycin J; Me ester C45H54N2O12S 846.339745 NA MeJP NA NA +PJ051952 GSSSCNHR C30H50N14O13S 846.3403 NA PeJP NA NA +PJ051953 GPPEMMW C38H54N8O10S2 846.3405 NA PeJP NA NA +PJ051954 NNNNWW C38H46N12O11 846.3409 NA PeJP NA NA +PJ051955 GGGGGGNWW C38H46N12O11 846.341 NA PeJP NA NA +PJ051956 GSSTTTMY C34H54N8O15S 846.343 NA PeJP NA NA +PJ051957 PEEFYY C42H50N6O13 846.3436 NA PeJP NA NA +PJ051958 GSKMMMY C35H58N8O10S3 846.3438 NA PeJP NA NA +PJ051959 GPCNDRW C35H50N12O11S 846.3443 NA PeJP NA NA +PJ051960 GDHFWW C43H46N10O9 846.345 NA PeJP NA NA +PJ051961 GNNEEER C31H50N12O16 846.3468 NA PeJP NA NA +PJ051962 LEEMYY C39H54N6O13S 846.347 NA PeJP NA NA +PJ051963 GSEMMHR C32H54N12O11S2 846.3477 NA PeJP NA NA +PJ051964 STMHWW C40H50N10O9S 846.3483 NA PeJP NA NA +PJ051965 SSTTEHW C36H50N10O14 846.3508 NA PeJP NA NA +PJ051966 GGGGGVEEW C36H50N10O14 846.3509 NA PeJP NA NA +PJ051967 DKMMHW C37H54N10O9S2 846.3517 NA PeJP NA NA +PJ051968 GSSHHHW C37H46N14O10 846.3522 NA PeJP NA NA +PJ051969 CHFFFF C45H50N8O7S 846.3524 NA PeJP NA NA +PJ051970 GPEEEMR C33H54N10O14S 846.3542 NA PeJP NA NA +PJ051971 STQYYW C41H50N8O12 846.3548 NA PeJP NA NA +PJ051972 PTEEWW C41H50N8O12 846.3549 NA PeJP NA NA +PJ051973 GLQMMMH C34H58N10O9S3 846.3551 NA PeJP NA NA +PJ051974 GCNNHFR C34H50N14O10S 846.3555 NA PeJP NA NA +PJ051975 GGGCNHFR C34H50N14O10S 846.3556 NA PeJP NA NA +PJ051976 PPMMWW C42H54N8O7S2 846.3557 NA PeJP NA NA +PJ051977 SNNNNER C30H50N14O15 846.358 NA PeJP NA NA +PJ051978 GNDDDRR C30H50N14O15 846.3581 NA PeJP NA NA +PJ051979 GPVEEMW C38H54N8O12S 846.3582 NA PeJP NA NA +PJ051980 SCCNKHR C31H54N14O10S2 846.3589 NA PeJP NA NA +PJ051981 APPCHHW C39H50N12O8S 846.3596 NA PeJP NA NA +PJ051982 SSSTTTTY C34H54N8O17 846.3607 NA PeJP NA NA +PJ051983 SSTKMMY C35H58N8O12S2 846.3616 NA PeJP NA NA +PJ051984 ATNNNQW C35H50N12O13 846.362 NA PeJP NA NA +PJ051985 NNEERW C35H50N12O13 846.3621 NA PeJP NA NA +PJ051986 SMMHRW C36H54N12O8S2 846.3629 NA PeJP NA NA +PJ051987 SSTEMHR C32H54N12O13S 846.3654 NA PeJP NA NA +PJ051988 GGGGSPEMR C32H54N12O13S 846.3655 NA PeJP NA NA +PJ051989 AQQEWW C40H50N10O11 846.3661 NA PeJP NA NA +PJ051990 AAMMMHR C33H58N12O8S3 846.3663 NA PeJP NA NA +PJ051991 GTCHHHR C33H50N16O9S 846.3668 NA PeJP NA NA +MJ096094 Entandrophragmin; Deepoxy, hydroxy C43H58O17 846.3674 NA MeJP NA NA +PJ051992 SQMRYY C37H54N10O11S 846.3694 NA PeJP NA NA +PJ051993 PEEMRW C37H54N10O11S 846.3695 NA PeJP NA NA +PJ051994 PPDFWW C45H50N8O9 846.3701 NA PeJP NA NA +PJ051995 CKHHHW C38H50N14O7S 846.3708 NA PeJP NA NA +PJ051996 SSSSTLEH C33H54N10O16 846.3719 NA PeJP NA NA +PJ051997 GVEEEER C33H54N10O16 846.372 NA PeJP NA NA +PJ051998 SPPEMMR C34H58N10O11S2 846.3728 NA PeJP NA NA +PJ051999 GGGGGAPLMM C34H58N10O11S2 846.3729 NA PeJP NA NA +PJ052000 GSNNNRW C34H50N14O12 846.3733 NA PeJP NA NA +PJ052001 PVEMWW C42H54N8O9S 846.3735 NA PeJP NA NA +PJ052002 AALEEEW C38H54N8O14 846.376 NA PeJP NA NA +PJ052003 SPCNDRR C31H54N14O12S 846.3767 NA PeJP NA NA +PJ052004 SPPVMMW C39H58N8O9S2 846.3768 NA PeJP NA NA +PJ052005 PPTCLMW C39H58N8O9S2 846.3769 NA PeJP NA NA +PJ052006 GNERWW C39H50N12O10 846.3773 NA PeJP NA NA +PJ052007 PVDKEEM C35H58N8O14S 846.3794 NA PeJP NA NA +PJ052008 PLEYYY C43H54N6O12 846.38 NA PeJP NA NA +PJ052009 PPLQMMM C36H62N8O9S3 846.3802 NA PeJP NA NA +PJ052010 GSPNMRW C36H54N12O10S 846.3807 NA PeJP NA NA +PJ052011 AAQWWW C44H50N10O8 846.3813 NA PeJP NA NA +PJ052012 GGGVWWW C44H50N10O8 846.3814 NA PeJP NA NA +PJ052013 EEEERR C32H54N12O15 846.3832 NA PeJP NA NA +PJ052014 ATTMMHR C33H58N12O10S2 846.3841 NA PeJP NA NA +PJ052015 SSSHHHR C33H50N16O11 846.3845 NA PeJP NA NA +PJ052016 PCQKWW C41H54N10O8S 846.3847 NA PeJP NA NA +PJ052017 VEEERW C37H54N10O13 846.3872 NA PeJP NA NA +PJ052018 GCNNQRR C30H54N16O11S 846.3879 NA PeJP NA NA +PJ052019 CKMFRY C38H58N10O8S2 846.3881 NA PeJP NA NA +MJ096095 2,3-Dihydroxy-23,24,25,26,27-pentanorcholest-20-en-22,16-olide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C40H62O19 846.388529 NA MeJP NA NA +PJ052020 PDHHRW C38H50N14O9 846.3886 NA PeJP NA NA +PJ052021 SPVEEMR C34H58N10O13S 846.3906 NA PeJP NA NA +PJ052022 VVEEWW C42H54N8O11 846.3912 NA PeJP NA NA +PJ052023 GGPPPEFF C42H54N8O11 846.3913 NA PeJP NA NA +PJ052024 PPCLMMR C35H62N10O8S3 846.3915 NA PeJP NA NA +PJ052025 CEHFRR C35H54N14O9S 846.3919 NA PeJP NA NA +PJ052026 NRWWW C43H50N12O7 846.3926 NA PeJP NA NA +PJ052027 GSNEERR C31H54N14O14 846.3944 NA PeJP NA NA +PJ052028 GGGGGGSDKR C31H54N14O14 846.3945 NA PeJP NA NA +PJ052029 APTLEMW C39H58N8O11S 846.3946 NA PeJP NA NA +PJ052030 GPCQMRR C32H58N14O9S2 846.3953 NA PeJP NA NA +PJ052031 AMHFRW C40H54N12O7S 846.396 NA PeJP NA NA +PJ052032 ALKEEEE C35H58N8O16 846.3971 NA PeJP NA NA +PJ052033 PVLQEMM C36H62N8O11S2 846.398 NA PeJP NA NA +PJ052034 TQQERW C36H54N12O12 846.3984 NA PeJP NA NA +PJ052035 NDKERW C36H54N12O12 846.3985 NA PeJP NA NA +PJ052036 NHHHFR C37H50N16O8 846.3998 NA PeJP NA NA +PJ052037 TTTTMHR C33H58N12O12S 846.4018 NA PeJP NA NA +PJ052038 GGGGGGGGLKM C33H58N12O12S 846.4019 NA PeJP NA NA +PJ052039 AQKEWW C41H54N10O10 846.4025 NA PeJP NA NA +PJ052040 SSNNNRR C30H54N16O13 846.4057 NA PeJP NA NA +PJ052041 GPTQKMW C38H58N10O10S 846.4058 NA PeJP NA NA +PJ052042 GGAPTKMW C38H58N10O10S 846.4059 NA PeJP NA NA +PJ052043 PPVYWW C46H54N8O8 846.4065 NA PeJP NA NA +MJ096096 Holost-9(11)-ene-3,12,17-triol, 3-O-[6-Deoxy-?-D-glucopyranosyl-(1?2)-4-O-sulfo-?-D-xylopyranoside] C41H66O16S 846.407156 NA MeJP NA NA +7425 coeliac toxic peptide PQQPQQSFPQQPQR 846.4075 MH2+ Inhouse_peptide NA peptide +PJ052044 ATLEEER C34H58N10O15 846.4083 NA PeJP NA NA +PJ052045 SVVEEER C34H58N10O15 846.4084 NA PeJP NA NA +PJ052046 APLEMMR C35H62N10O10S2 846.4092 NA PeJP NA NA +PJ052047 SNERRW C35H54N14O11 846.4097 NA PeJP NA NA +PJ052048 GPPLMFW C43H58N8O8S 846.4099 NA PeJP NA NA +PJ052049 SSSLKYY C39H58N8O13 846.4123 NA PeJP NA NA +PJ052050 GTLLEEW C39H58N8O13 846.4124 NA PeJP NA NA +PJ052051 SSPNMRR C32H58N14O11S 846.413 NA PeJP NA NA +PJ052052 QQEMRR C32H58N14O11S 846.4131 NA PeJP NA NA +PJ052053 GPLLMMW C40H62N8O8S2 846.4132 NA PeJP NA NA +PJ052054 GDKRWW C40H54N12O9 846.4137 NA PeJP NA NA +PJ052055 PTLKEEM C36H62N8O13S 846.4157 NA PeJP NA NA +PJ052056 GGVLLEEM C36H62N8O13S 846.4158 NA PeJP NA NA +PJ052057 LLEFYY C44H58N6O11 846.4164 NA PeJP NA NA +PJ052058 PPLKMMM C37H66N8O8S3 846.4166 NA PeJP NA NA +PJ052059 VQQMRW C37H58N12O9S 846.4171 NA PeJP NA NA +PJ052060 AAKWWW C45H54N10O7 846.4177 NA PeJP NA NA +PJ052061 GTQKEER C33H58N12O14 846.4196 NA PeJP NA NA +PJ052062 GPQKMMR C34H62N12O9S2 846.4205 NA PeJP NA NA +PJ052063 AAQQHHR C34H54N16O10 846.4209 NA PeJP NA NA +PJ052064 PCKKWW C42H58N10O7S 846.4211 NA PeJP NA NA +PJ052065 QKKEEW C38H58N10O12 846.4236 NA PeJP NA NA +PJ052066 NDMRRR C31H58N16O10S 846.4243 NA PeJP NA NA +PJ052067 GSRRWW C39H54N14O8 846.4249 NA PeJP NA NA +PJ052068 GPPHHFR C39H54N14O8 846.425 NA PeJP NA NA +PJ052069 GLLEEMR C35H62N10O12S 846.427 NA PeJP NA NA +PJ052070 TLLEWW C43H58N8O10 846.4276 NA PeJP NA NA +PJ052071 AQMRRW C36H58N14O8S 846.4283 NA PeJP NA NA +PJ052072 GSDKERR C32H58N14O13 846.4308 NA PeJP NA NA +PJ052073 GVLLEMW C40H62N8O10S 846.431 NA PeJP NA NA +PJ052074 GPCKMRR C33H62N14O8S2 846.4317 NA PeJP NA NA +PJ052075 NQHHRR C33H54N18O9 846.4322 NA PeJP NA NA +PJ052076 SLLKEEE C36H62N8O15 846.4335 NA PeJP NA NA +PJ052077 PVLKEMM C37H66N8O10S2 846.4344 NA PeJP NA NA +PJ052078 TQKERW C37H58N12O11 846.4348 NA PeJP NA NA +PJ052079 GGGGGTKKW C37H58N12O11 846.4349 NA PeJP NA NA +PJ052080 GVQKEMR C34H62N12O11S 846.4382 NA PeJP NA NA +PJ052081 SLQKWW C42H58N10O9 846.4388 NA PeJP NA NA +PJ052082 AKKEWW C42H58N10O9 846.4389 NA PeJP NA NA +PJ052083 ACRRRW C35H58N16O7S 846.4396 NA PeJP NA NA +C07235 Rifabutin C46H62N4O11 846.4415 NA KEGG NA NA +MJ096097 Rifabutin C46H62N4O11 846.441508 NA MeJP NA NA +PJ052084 GSSERRR C31H58N16O12 846.4421 NA PeJP NA NA +PJ052085 LLEMRW C39H62N10O9S 846.4422 NA PeJP NA NA +PJ052086 PVLFWW C47H58N8O7 846.4429 NA PeJP NA NA +MJ096098 Rotihibin B C35H62N10O14 846.444696 NA MeJP NA NA +PJ052087 STLLEER C35H62N10O14 846.4447 NA PeJP NA NA +PJ052088 SPLLMMR C36H66N10O9S2 846.4456 NA PeJP NA NA +PJ052089 SDKRRW C36H58N14O10 846.4461 NA PeJP NA NA +PJ052090 VLLMWW C44H62N8O7S 846.4463 NA PeJP NA NA +MJ096099 N-Deacyltunicamycin; N4''-(14-Methylpentadecanoyl) C39H66N4O16 846.447382 NA MeJP NA NA +PJ052091 SSLLLEW C40H62N8O12 846.4487 NA PeJP NA NA +PJ052092 VVTTLEW C40H62N8O12 846.4488 NA PeJP NA NA +PJ052093 QKEMRR C33H62N14O10S 846.4494 NA PeJP NA NA +PJ052094 GAKEMRR C33H62N14O10S 846.4495 NA PeJP NA NA +MJ096100 Helicokinin II C41H58N12O8 846.450056 NA MeJP NA NA +PJ052095 ATKRWW C41H58N12O8 846.4501 NA PeJP NA NA +PJ052096 VVLKEEM C37H66N8O12S 846.4521 NA PeJP NA NA +PJ052097 LLLYYY C45H62N6O10 846.4528 NA PeJP NA NA +PJ052098 VQKMRW C38H62N12O8S 846.4535 NA PeJP NA NA +PJ052099 GTKKEER C34H62N12O13 846.456 NA PeJP NA NA +PJ052100 GPKKMMR C35H66N12O8S2 846.4568 NA PeJP NA NA +PJ052101 SSRRRW C35H58N16O9 846.4573 NA PeJP NA NA +PJ052102 KKKEEW C39H62N10O11 846.46 NA PeJP NA NA +PJ052103 TQMRRR C32H62N16O9S 846.4607 NA PeJP NA NA +PJ052104 VLHHRW C40H58N14O7 846.4613 NA PeJP NA NA +PJ052105 SVLLEMR C36H66N10O11S 846.4634 NA PeJP NA NA +PJ052106 GPVLLYW C44H62N8O9 846.464 NA PeJP NA NA +PJ052107 AKMRRW C37H62N14O7S 846.4647 NA PeJP NA NA +PJ052108 GTTKERR C33H62N14O12 846.4672 NA PeJP NA NA +PJ052109 ATLLLMW C41H66N8O9S 846.4674 NA PeJP NA NA +PJ052110 NKHHRR C34H58N18O8 846.4685 NA PeJP NA NA +PJ052111 GGKHHRR C34H58N18O8 846.4686 NA PeJP NA NA +PJ052112 GTTTLLLE C37H66N8O14 846.4699 NA PeJP NA NA +PJ052113 VLLLQMM C38H70N8O9S2 846.4708 NA PeJP NA NA +PJ052114 TKKERW C38H62N12O10 846.4712 NA PeJP NA NA +PJ052115 TCRRRR C31H62N18O8S 846.4719 NA PeJP NA NA +PJ052116 GVKKEMR C35H66N12O10S 846.4746 NA PeJP NA NA +PJ052117 SLKKWW C43H62N10O8 846.4752 NA PeJP NA NA +PJ052118 PPVVLHW C43H62N10O8 846.4753 NA PeJP NA NA +MJ096101 12-Oleanene-3,16,21,22,23,28-hexol, 16,22-Ditigloyl, 3-O-?-D-glucuronopyranoside C46H70O14 846.476556 NA MeJP NA NA +MJ096102 12-Oleanene-3,16,21,22,23,28-hexol, 20,21-Ditigloyl, 3-O-glucuronopyranoside C46H70O14 846.476556 NA MeJP NA NA +MJ096103 12-Oleanene-3,16,21,22,23,28-hexol, 21,28-Ditigloyl, 3-O-?-D-glucuronopyranoside C46H70O14 846.476556 NA MeJP NA NA +PJ052119 GTTTRRR C32H62N16O11 846.4784 NA PeJP NA NA +PJ052120 AALKKMW C40H66N10O8S 846.4786 NA PeJP NA NA +PJ052121 SVKKKEE C36H66N10O13 846.4811 NA PeJP NA NA +PJ052122 ALLLMMR C37H70N10O8S2 846.482 NA PeJP NA NA +PJ052123 TTKRRW C37H62N14O9 846.4825 NA PeJP NA NA +PJ052124 TTTLLLW C41H66N8O11 846.4851 NA PeJP NA NA +PJ052125 GGVLLLEF C41H66N8O11 846.4852 NA PeJP NA NA +PJ052126 KKEMRR C34H66N14O9S 846.4858 NA PeJP NA NA +PJ052127 LKHFFR C42H62N12O7 846.4865 NA PeJP NA NA +PJ052128 TLLLKEM C38H70N8O11S 846.4885 NA PeJP NA NA +PJ052129 VKKMRW C39H66N12O7S 846.4899 NA PeJP NA NA +PJ052130 SSLKKER C35H66N12O12 846.4923 NA PeJP NA NA +PJ052131 VTTDKKR C35H66N12O12 846.4924 NA PeJP NA NA +PJ052132 VNFRRR C36H62N16O8 846.4937 NA PeJP NA NA +PJ052133 ATTLKKW C40H66N10O10 846.4964 NA PeJP NA NA +PJ052134 TKMRRR C33H66N16O8S 846.4971 NA PeJP NA NA +PJ052135 TTLLLMR C37H70N10O10S 846.4997 NA PeJP NA NA +PJ052136 VVDKKKM C37H70N10O10S 846.4998 NA PeJP NA NA +PJ052137 GVLLLFW C45H66N8O8 846.5004 NA PeJP NA NA +PJ052138 SSTLKRR C34H66N14O11 846.5036 NA PeJP NA NA +PJ052139 PVLLKMF C42H70N8O8S 846.5038 NA PeJP NA NA +PJ052140 GFRRRR C35H62N18O7 846.5049 NA PeJP NA NA +PJ052141 SSTTLLLL C38H70N8O13 846.5063 NA PeJP NA NA +PJ052142 VLLLKMM C39H74N8O8S2 846.5071 NA PeJP NA NA +PJ052143 GPVKKRY C39H66N12O9 846.5076 NA PeJP NA NA +PJ052144 ATLKKMR C36H70N12O9S 846.511 NA PeJP NA NA +PJ052145 LLLFRW C44H66N10O7 846.5116 NA PeJP NA NA +PJ052146 TTLKKKE C37H70N10O12 846.5175 NA PeJP NA NA +PJ052147 PKKRRY C38H66N14O8 846.5188 NA PeJP NA NA +PJ052148 GALKFRR C38H66N14O8 846.5189 NA PeJP NA NA +MJ096104 Enterococcus faecalis Sex pheromone inhibitor iAD1 C42H70N8O10 846.52149 NA MeJP NA NA +PJ052149 PTLLLKY C42H70N8O10 846.5215 NA PeJP NA NA +PJ052150 GCKKKKR C35H70N14O8S 846.5222 NA PeJP NA NA +PJ052151 TTTLKKR C36H70N12O11 846.5287 NA PeJP NA NA +PJ052152 GLLLLRY C41H70N10O9 846.5328 NA PeJP NA NA +PJ052153 SLLKKKM C38H74N10O9S 846.5361 NA PeJP NA NA +PJ052154 GVLKKFR C40H70N12O8 846.544 NA PeJP NA NA +PJ052155 GKKKKKM C37H74N12O8S 846.5474 NA PeJP NA NA +PJ052156 LKKFRR C39H70N14O7 846.5552 NA PeJP NA NA +PJ052157 VVLLLKY C43H74N8O9 846.5579 NA PeJP NA NA +PJ052158 STKKKKK C37H74N12O10 846.5651 NA PeJP NA NA +PJ052159 VVVKKKF C42H74N10O8 846.5691 NA PeJP NA NA +PJ052160 ALLKKKF C42H74N10O8 846.5692 NA PeJP NA NA +MJ096105 Huratoxin; 5-Deoxy, 6,7-deepoxy, 6,7-didehydro, 20-eicosanoyl C54H86O7 846.637355 NA MeJP NA NA +MJ096106 Undecaprenyl phosphate C55H91O4P 846.665497 NA MeJP NA NA +MetaCyc04179 undecaprenyl phosphate [] C55H91O4P1 846.665498 NA metacyc NA NA +C00348 all-trans-Undecaprenyl phosphate C55H91O4P 846.6655 NA KEGG NA NA +C17556 di-trans,poly-cis-Undecaprenyl phosphate C55H91O4P 846.6655 NA KEGG NA NA +EUR1103 SM(d18:1/22:0) [M-H+acetate]- C45H91N2O6P 846.682576 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1103 SM(d18:1/22:0) [M-H+acetate]- C45H91N2O6P 846.682576 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1103 SM(d18:1/22:0) [M-H+acetate]- C45H91N2O6P 846.682576 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1103 SM(d18:1/22:0) [M-H+acetate]- C45H91N2O6P 846.682576 masses lipides attendues Inhousejuil11 NA NA +MJ096107 20(29)-Lupen-3-ol, Nonacosanoyl C59H106O2 846.819282 NA MeJP NA NA +7416 coeliac toxic peptide QQFPQPQQPFPQQP 846.901 MH2+ Inhouse_peptide NA peptide +7426 coeliac toxic peptide QQPFPQQPQQPFPQ 846.901 MH2+ Inhouse_peptide NA peptide +7427 coeliac toxic peptide QQPFPQQPQQPFPQ 846.901 MH2+ Inhouse_peptide NA peptide +PJ052161 PCCCCCCN C27H45N9O10S6 847.1614 NA PeJP NA NA +PJ052162 GCCCCNDM C27H45N9O12S5 847.1792 NA PeJP NA NA +PJ052163 CCCCCQW C31H45N9O9S5 847.1944 NA PeJP NA NA +PJ052164 SSCCCCNE C27H45N9O14S4 847.1969 NA PeJP NA NA +PJ052165 CCDDDDY C31H41N7O17S2 847.2001 NA PeJP NA NA +PJ052166 CCDDMMM C29H49N7O12S5 847.2043 NA PeJP NA NA +PJ052167 GSSCCCCW C31H45N9O11S4 847.2122 NA PeJP NA NA +PJ052168 GSSSSCCCD C27H45N9O16S3 847.2147 NA PeJP NA NA +PJ052169 GSCCCNMM C28H49N9O11S5 847.2155 NA PeJP NA NA +PJ052170 GGGSCCCMM C28H49N9O11S5 847.2156 NA PeJP NA NA +PJ052171 CCDDDMF C32H45N7O14S3 847.2187 NA PeJP NA NA +PJ052172 CCCDMHH C30H45N11O10S4 847.2234 NA PeJP NA NA +PJ052173 GTCCCCCR C27H49N11O10S5 847.2268 NA PeJP NA NA +PJ052174 CDDDDEH C30H41N9O18S 847.2291 NA PeJP NA NA +PJ052175 CCCNNEY C31H45N9O13S3 847.2299 NA PeJP NA NA +PJ052176 CCCCCKW C32H49N9O8S5 847.2308 NA PeJP NA NA +PJ052177 SSSCCCQM C28H49N9O13S4 847.2333 NA PeJP NA NA +PJ052178 SCCDEEY C32H45N7O16S2 847.2364 NA PeJP NA NA +PJ052179 SCDDDMY C32H45N7O16S2 847.2365 NA PeJP NA NA +PJ052180 PCCCEMY C33H49N7O11S4 847.2373 NA PeJP NA NA +PJ052181 SCDMMMM C30H53N7O11S5 847.2407 NA PeJP NA NA +PJ052182 GPCCCNDH C30H45N11O12S3 847.2412 NA PeJP NA NA +PJ052183 SSSCCCCR C27H49N11O12S4 847.2445 NA PeJP NA NA +PJ052184 GCCCNYW C35H45N9O10S3 847.2452 NA PeJP NA NA +PJ052185 GSSCCNDY C31H45N9O15S2 847.2477 NA PeJP NA NA +PJ052186 CCCNQMF C32H49N9O10S4 847.2486 NA PeJP NA NA +PJ052187 GSSSSSCCM C28H49N9O15S3 847.2511 NA PeJP NA NA +PJ052188 GTCCCCKM C29H53N9O10S5 847.2519 NA PeJP NA NA +PJ052189 GCDEMMY C33H49N7O13S3 847.2551 NA PeJP NA NA +PJ052190 CNNDDMH C30H45N11O14S2 847.2589 NA PeJP NA NA +PJ052191 ACMMMMM C31H57N7O8S6 847.2593 NA PeJP NA NA +PJ052192 CCCCNFR C31H49N11O9S4 847.2598 NA PeJP NA NA +PJ052193 SCDEEEH C31H45N9O17S 847.2654 NA PeJP NA NA +PJ052194 SDDDEMH C31H45N9O17S 847.2655 NA PeJP NA NA +PJ052195 SCCNQMY C32H49N9O12S3 847.2663 NA PeJP NA NA +PJ052196 SSSSSSTCC C28H49N9O17S2 847.2688 NA PeJP NA NA +PJ052197 GCDDEFY C36H45N7O15S 847.2695 NA PeJP NA NA +PJ052198 SSSCCCKM C29H53N9O12S4 847.2697 NA PeJP NA NA +PJ052199 GSCCNNNH C29H45N13O13S2 847.2702 NA PeJP NA NA +PJ052200 CDMMYW C37H49N7O10S3 847.2703 NA PeJP NA NA +PJ052201 PDDDEEE C32H45N7O20 847.272 NA PeJP NA NA +PJ052202 SSDDMMY C33H49N7O15S2 847.2728 NA PeJP NA NA +PJ052203 PTCCMMY C34H53N7O10S4 847.2737 NA PeJP NA NA +PJ052204 GCCNEHW C34H45N11O11S2 847.2742 NA PeJP NA NA +PJ052205 GSSCNDEH C30H45N11O16S 847.2767 NA PeJP NA NA +PJ052206 SSMMMMM C31H57N7O10S5 847.2771 NA PeJP NA NA +PJ052207 SCCCNRY C31H49N11O11S3 847.2775 NA PeJP NA NA +PJ052208 GGSCCCRY C31H49N11O11S3 847.2776 NA PeJP NA NA +PJ052209 GCNNDYY C35H45N9O14S 847.2807 NA PeJP NA NA +PJ052210 GSPNDDDE C31H45N9O19 847.2832 NA PeJP NA NA +PJ052211 GSSSCNMY C32H49N9O14S2 847.2841 NA PeJP NA NA +PJ052212 CDDFYW C40H45N7O12S 847.2847 NA PeJP NA NA +PJ052213 CCCNKMF C33H53N9O9S4 847.2849 NA PeJP NA NA +PJ052214 GGCCCKMF C33H53N9O9S4 847.285 NA PeJP NA NA +PJ052215 PCCDHHH C33H45N13O10S2 847.2854 NA PeJP NA NA +PJ052216 GSDDEYY C36H45N7O17 847.2872 NA PeJP NA NA +PJ052217 GPCDMYY C37H49N7O12S2 847.2881 NA PeJP NA NA +PJ052218 CMMMFW C38H53N7O7S4 847.289 NA PeJP NA NA +PJ052219 CCNHWW C38H45N11O8S2 847.2894 NA PeJP NA NA +PJ052220 GSEMMMY C34H53N7O12S3 847.2915 NA PeJP NA NA +PJ052221 SSCNDHW C34H45N11O13S 847.2919 NA PeJP NA NA +PJ052222 ACCMHHF C35H49N11O8S3 847.2928 NA PeJP NA NA +PJ052223 SSSSNDDH C30H45N11O18 847.2944 NA PeJP NA NA +PJ052224 GGGGNNDEE C30H45N11O18 847.2945 NA PeJP NA NA +PJ052225 SNNDMMH C31H49N11O13S2 847.2953 NA PeJP NA NA +PJ052226 SPNDDDW C35H45N9O16 847.2985 NA PeJP NA NA +PJ052227 DEMMHW C36H49N9O11S2 847.2993 NA PeJP NA NA +PJ052228 SSSSSCQY C32H49N9O16S 847.3018 NA PeJP NA NA +PJ052229 GGGGPDEEM C32H49N9O16S 847.3019 NA PeJP NA NA +PJ052230 SDDYYW C40H45N7O14 847.3025 NA PeJP NA NA +PJ052231 SCCNKMY C33H53N9O11S3 847.3027 NA PeJP NA NA +PJ052232 GDDMHHH C33H45N13O12S 847.3032 NA PeJP NA NA +PJ052233 CDMFFW C41H49N7O9S2 847.3034 NA PeJP NA NA +PJ052234 GSNNNNND C29H45N13O17 847.3057 NA PeJP NA NA +PJ052235 NEEMYY C37H49N7O14S 847.3058 NA PeJP NA NA +PJ052236 GGEEMYY C37H49N7O14S 847.3059 NA PeJP NA NA +PJ052237 SCCNEHR C30H49N13O12S2 847.3065 NA PeJP NA NA +PJ052238 GGSCCEHR C30H49N13O12S2 847.3066 NA PeJP NA NA +PJ052239 SMMMYW C38H53N7O9S3 847.3067 NA PeJP NA NA +PJ052240 SPEEEEE C33H49N7O19 847.3084 NA PeJP NA NA +PJ052241 SSTEMMY C34H53N7O14S2 847.3092 NA PeJP NA NA +PJ052242 GNNNDEW C34H45N11O15 847.3097 NA PeJP NA NA +PJ052243 AAMMMMY C35H57N7O9S4 847.3101 NA PeJP NA NA +PJ052244 GSCQMHW C35H49N11O10S2 847.3106 NA PeJP NA NA +PJ052245 PCNDDER C31H49N11O15S 847.3131 NA PeJP NA NA +PJ052246 DDEHFW C39H45N9O13 847.3137 NA PeJP NA NA +PJ052247 GNQMMMH C32H53N11O10S3 847.3139 NA PeJP NA NA +PJ052248 GGGGAMMMH C32H53N11O10S3 847.314 NA PeJP NA NA +PJ052249 SCNNHHH C32H45N15O11S 847.3144 NA PeJP NA NA +PJ052250 GPPCCWW C40H49N9O8S2 847.3146 NA PeJP NA NA +PJ052251 GPNDEMW C36H49N9O13S 847.3171 NA PeJP NA NA +PJ052252 CEHHHW C37H45N13O9S 847.3184 NA PeJP NA NA +PJ052253 GSSSSSSSY C32H49N9O18 847.3196 NA PeJP NA NA +PJ052254 GSSTCCKY C33H53N9O13S2 847.3205 NA PeJP NA NA +PJ052255 SSDEHHH C33H45N13O14 847.3209 NA PeJP NA NA +PJ052256 GGGGPDDHH C33H45N13O14 847.321 NA PeJP NA NA +PJ052257 GEMYYW C41H49N7O11S 847.3211 NA PeJP NA NA +PJ052258 APMMMMH C34H57N9O8S4 847.3213 NA PeJP NA NA +PJ052259 GSCCHRW C34H49N13O9S2 847.3218 NA PeJP NA NA +PJ052260 GSTEEYY C37H49N7O16 847.3236 NA PeJP NA NA +PJ052261 GSSSCDHR C30H49N13O14S 847.3243 NA PeJP NA NA +PJ052262 GSPMMYY C38H53N7O11S2 847.3245 NA PeJP NA NA +PJ052263 NNNDWW C38H45N11O12 847.3249 NA PeJP NA NA +PJ052264 GGNNDWW C38H45N11O12 847.325 NA PeJP NA NA +PJ052265 GCNMMHR C31H53N13O9S3 847.3252 NA PeJP NA NA +PJ052266 PVDEEEM C34H53N7O16S 847.327 NA PeJP NA NA +PJ052267 ATTMMMY C35H57N7O11S3 847.3278 NA PeJP NA NA +PJ052268 GPCDDRW C35H49N11O12S 847.3283 NA PeJP NA NA +PJ052269 GNDEEER C31H49N11O17 847.3308 NA PeJP NA NA +PJ052270 GGGGGGGATEE C31H49N11O17 847.3309 NA PeJP NA NA +PJ052271 GSPPCCER C32H53N11O12S2 847.3317 NA PeJP NA NA +8085 peptide derived from tuna cooking juice VDHDHPE 847.3318 ACE inhibitor Inhouse_peptide NA peptide +PJ052272 PNDMWW C40H49N9O10S 847.3323 NA PeJP NA NA +PJ052273 GGPDMWW C40H49N9O10S 847.3324 NA PeJP NA NA +PJ052274 QQEEEW C36H49N9O15 847.3348 NA PeJP NA NA +PJ052275 GAQEEEW C36H49N9O15 847.3349 NA PeJP NA NA +PJ052276 CNNNNNR C29H49N15O13S 847.3355 NA PeJP NA NA +PJ052277 GGGGGGCNNR C29H49N15O13S 847.3356 NA PeJP NA NA +PJ052278 SPPCQMW C37H53N9O10S2 847.3357 NA PeJP NA NA +PJ052279 MYYWW C45H49N7O8S 847.3364 NA PeJP NA NA +PJ052280 SSSSSCKY C33H53N9O15S 847.3382 NA PeJP NA NA +PJ052281 STEYYW C41H49N7O13 847.3389 NA PeJP NA NA +PJ052282 TCCCKKY C34H57N9O10S3 847.3391 NA PeJP NA NA +PJ052283 GCNDHFR C34H49N13O11S 847.3396 NA PeJP NA NA +PJ052284 AMMFYW C42H53N7O8S2 847.3397 NA PeJP NA NA +PJ052285 GSSNNNQQ C30H49N13O16 847.342 NA PeJP NA NA +PJ052286 GDDDDRR C30H49N13O16 847.3421 NA PeJP NA NA +PJ052287 DKEMYY C38H53N7O13S 847.3422 NA PeJP NA NA +PJ052288 SSCQMHR C31H53N13O11S2 847.3429 NA PeJP NA NA +PJ052289 GGGGGGPCMR C31H53N13O11S2 847.343 NA PeJP NA NA +PJ052290 AAMMMFF C39H57N7O8S3 847.3431 NA PeJP NA NA +PJ052291 NNMHFW C39H49N11O9S 847.3436 NA PeJP NA NA +PJ052292 ALEEEEE C34H53N7O18 847.3447 NA PeJP NA NA +PJ052293 VVDEEEE C34H53N7O18 847.3448 NA PeJP NA NA +PJ052294 TTTTMMY C35H57N7O13S2 847.3456 NA PeJP NA NA +PJ052295 NDEERW C35H49N11O14 847.3461 NA PeJP NA NA +PJ052296 SPPCCRW C36H53N11O9S2 847.3469 NA PeJP NA NA +PJ052297 GSCKMHW C36H53N11O9S2 847.347 NA PeJP NA NA +PJ052298 APCWWW C44H49N9O7S 847.3476 NA PeJP NA NA +PJ052299 PTCDQER C32H53N11O14S 847.3494 NA PeJP NA NA +PJ052300 SPNDEMR C32H53N11O14S 847.3495 NA PeJP NA NA +PJ052301 AQEEWW C40H49N9O12 847.3501 NA PeJP NA NA +PJ052302 PPCNMMR C33H57N11O9S3 847.3503 NA PeJP NA NA +PJ052303 PMMHFW C41H53N9O7S2 847.351 NA PeJP NA NA +PJ052304 GPTQEMW C37H53N9O12S 847.3535 NA PeJP NA NA +PJ052305 GPYYYW C45H49N7O10 847.3541 NA PeJP NA NA +PJ052306 SSCCHRR C30H53N15O10S2 847.3542 NA PeJP NA NA +PJ052307 LMMMHW C38H57N9O7S3 847.3543 NA PeJP NA NA +PJ052308 TMHHHW C38H49N13O8S 847.3548 NA PeJP NA NA +PJ052309 GQKEEEE C33H53N9O17 847.356 NA PeJP NA NA +PJ052310 STLEMMH C34H57N9O12S2 847.3568 NA PeJP NA NA +PJ052311 GGPVQEMM C34H57N9O12S2 847.3569 NA PeJP NA NA +PJ052312 GSNNDRW C34H49N13O13 847.3573 NA PeJP NA NA +PJ052313 SVMYYW C42H53N7O10S 847.3575 NA PeJP NA NA +PJ052314 GVMMHHH C35H53N13O8S2 847.3582 NA PeJP NA NA +PJ052315 GSHHHHH C35H45N17O9 847.3587 NA PeJP NA NA +PJ052316 SSSLEYY C38H53N7O15 847.36 NA PeJP NA NA +PJ052317 SPCDDRR C31H53N13O13S 847.3607 NA PeJP NA NA +PJ052318 LQMMYY C39H57N7O10S2 847.3609 NA PeJP NA NA +PJ052319 GDERWW C39H49N11O11 847.3613 NA PeJP NA NA +PJ052320 GGGGGATWW C39H49N11O11 847.3614 NA PeJP NA NA +PJ052321 ACCKMHR C32H57N13O8S3 847.3616 NA PeJP NA NA +PJ052322 PTLEEEM C35H57N7O15S 847.3634 NA PeJP NA NA +PJ052323 PPLEMMM C36H61N7O10S3 847.3642 NA PeJP NA NA +PJ052324 GSPDMRW C36H53N11O11S 847.3647 NA PeJP NA NA +PJ052325 AAEWWW C44H49N9O9 847.3654 NA PeJP NA NA +PJ052326 GTQEEER C32H53N11O16 847.3672 NA PeJP NA NA +PJ052327 GPQEMMR C33H57N11O11S2 847.3681 NA PeJP NA NA +PJ052328 GNQQQHH C33H49N15O12 847.3685 NA PeJP NA NA +PJ052329 GGGQQQHH C33H49N15O12 847.3686 NA PeJP NA NA +PJ052330 PTQMWW C41H53N9O9S 847.3687 NA PeJP NA NA +PJ052331 FFYWW C49H49N7O7 847.3694 NA PeJP NA NA +PJ052332 QKEEEW C37H53N9O14 847.3712 NA PeJP NA NA +PJ052333 GGGGPVEEF C37H53N9O14 847.3713 NA PeJP NA NA +PJ052334 GCNNERR C30H53N15O12S 847.3719 NA PeJP NA NA +PJ052335 GPVQMMW C38H57N9O9S2 847.3721 NA PeJP NA NA +PJ052336 GSPQHHW C38H49N13O10 847.3726 NA PeJP NA NA +PJ052337 AMFFFW C46H53N7O7S 847.3728 NA PeJP NA NA +PJ052338 SPQKEEM C34H57N9O14S 847.3746 NA PeJP NA NA +PJ052339 PDKYYY C42H53N7O12 847.3752 NA PeJP NA NA +PJ052340 GGLEFYY C42H53N7O12 847.3753 NA PeJP NA NA +PJ052341 SVLMMMH C35H61N9O9S3 847.3755 NA PeJP NA NA +PJ052342 NNQMRW C35H53N13O10S 847.3759 NA PeJP NA NA +PJ052343 GGGGQMRW C35H53N13O10S 847.376 NA PeJP NA NA +PJ052344 DRWWW C43H49N11O8 847.3766 NA PeJP NA NA +MJ096108 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 13-(3-Dimethylamino-3-phenylpropanoyl)(R-), 10-benzoyl, 2,4,7,9-tetra-Ac C46H57NO14 847.377905 NA MeJP NA NA +MJ096109 Taxol?; 7-Epimer, N-debenzoyl, N-hexanoyl C46H57NO14 847.377905 NA MeJP NA NA +MJ096110 Taxol?; N-Debenzoyl, N-hexanoyl C46H57NO14 847.377905 NA MeJP NA NA +PJ052345 ASDDERR C31H53N13O15 847.3784 NA PeJP NA NA +PJ052346 GSDEERR C31H53N13O15 847.3785 NA PeJP NA NA +PJ052347 GTTLMYY C39H57N7O12S 847.3786 NA PeJP NA NA +PJ052348 GPCEMRR C32H57N13O10S2 847.3793 NA PeJP NA NA +PJ052349 GNNNHHR C32H49N17O11 847.3798 NA PeJP NA NA +PJ052350 PTCRWW C40H53N11O8S 847.38 NA PeJP NA NA +PJ052351 SLLEEEE C35H57N7O17 847.3811 NA PeJP NA NA +PJ052352 PVLEEMM C36H61N7O12S2 847.382 NA PeJP NA NA +PJ052353 TQEERW C36H53N11O13 847.3825 NA PeJP NA NA +PJ052354 PQMMRW C37H57N11O8S2 847.3833 NA PeJP NA NA +PJ052355 DHHHFR C37H49N15O9 847.3838 NA PeJP NA NA +PJ052356 GVQEEMR C33H57N11O13S 847.3858 NA PeJP NA NA +PJ052357 GGGLEEMR C33H57N11O13S 847.3859 NA PeJP NA NA +PJ052358 AKEEWW C41H53N9O11 847.3865 NA PeJP NA NA +PJ052359 ACKKMMH C34H61N11O8S3 847.3867 NA PeJP NA NA +PJ052360 CNNRRW C34H53N15O9S 847.3872 NA PeJP NA NA +PJ052361 SSNNDRR C30H53N15O14 847.3897 NA PeJP NA NA +PJ052362 GPTKEMW C38H57N9O11S 847.3899 NA PeJP NA NA +PJ052363 GLFYYW C46H53N7O9 847.3905 NA PeJP NA NA +PJ052364 SSSPTLQE C34H57N9O16 847.3923 NA PeJP NA NA +PJ052365 GKKEEEE C34H57N9O16 847.3924 NA PeJP NA NA +PJ052366 PVNKEMM C35H61N9O11S2 847.3932 NA PeJP NA NA +PJ052367 SDERRW C35H53N13O12 847.3937 NA PeJP NA NA +PJ052368 PKMFYY C43H57N7O9S 847.3939 NA PeJP NA NA +PJ052369 PCMRRW C36H57N13O7S2 847.3946 NA PeJP NA NA +PJ052370 STTTLYY C39H57N7O14 847.3964 NA PeJP NA NA +PJ052371 QEEMRR C32H57N13O12S 847.3971 NA PeJP NA NA +PJ052372 LKMMYY C40H61N7O9S2 847.3972 NA PeJP NA NA +PJ052373 PPPLMMY C40H61N7O9S2 847.3973 NA PeJP NA NA +PJ052374 ATERWW C40H53N11O10 847.3977 NA PeJP NA NA +PJ052375 VVLEEEM C36H61N7O14S 847.3998 NA PeJP NA NA +PJ052376 VQEMRW C37H57N11O10S 847.4011 NA PeJP NA NA +PJ052377 GTLWWW C45H53N9O8 847.4017 NA PeJP NA NA +PJ052378 GGPVFWW C45H53N9O8 847.4018 NA PeJP NA NA +PJ052379 GTKEEER C33H57N11O15 847.4036 NA PeJP NA NA +PJ052380 GPKEMMR C34H61N11O10S2 847.4045 NA PeJP NA NA +PJ052381 AAQEHHR C34H53N15O11 847.4049 NA PeJP NA NA +PJ052382 GGGVEHHR C34H53N15O11 847.405 NA PeJP NA NA +PJ052383 PTKMWW C42H57N9O8S 847.4051 NA PeJP NA NA +PJ052384 KKEEEW C38H57N9O13 847.4076 NA PeJP NA NA +PJ052385 DDMRRR C31H57N15O11S 847.4083 NA PeJP NA NA +PJ052386 GPVKMMW C39H61N9O8S2 847.4085 NA PeJP NA NA +PJ052387 GSPKHHW C39H53N13O9 847.409 NA PeJP NA NA +PJ052388 SPKKEEM C35H61N9O13S 847.411 NA PeJP NA NA +PJ052389 VLQYYY C43H57N7O11 847.4116 NA PeJP NA NA +PJ052390 AEMRRW C36H57N13O9S 847.4123 NA PeJP NA NA +PJ052391 GPFRWW C44H53N11O7 847.413 NA PeJP NA NA +PJ052392 GTTEERR C32H57N13O14 847.4148 NA PeJP NA NA +PJ052393 GGGGGGGSSKK C32H57N13O14 847.4149 NA PeJP NA NA +PJ052394 PPVLEMY C40H61N7O11S 847.415 NA PeJP NA NA +PJ052395 GPTMMRR C33H61N13O9S2 847.4157 NA PeJP NA NA +PJ052396 NEHHRR C33H53N17O10 847.4162 NA PeJP NA NA +PJ052397 GLMRWW C41H57N11O7S 847.4164 NA PeJP NA NA +PJ052398 ASSLERW C37H57N11O12 847.4188 NA PeJP NA NA +PJ052399 TKEERW C37H57N11O12 847.4189 NA PeJP NA NA +PJ052400 GSCNRRR C30H57N17O10S 847.4195 NA PeJP NA NA +PJ052401 GGGSCRRR C30H57N17O10S 847.4196 NA PeJP NA NA +PJ052402 PKMMRW C38H61N11O7S2 847.4197 NA PeJP NA NA +PJ052403 VNHHRW C38H53N15O8 847.4202 NA PeJP NA NA +PJ052404 GVKEEMR C34H61N11O12S 847.4222 NA PeJP NA NA +PJ052405 SLKEWW C42H57N9O10 847.4229 NA PeJP NA NA +PJ052406 APCKHHR C35H57N15O8S 847.4236 NA PeJP NA NA +PJ052407 SSSQQRR C31H57N15O13 847.4261 NA PeJP NA NA +PJ052408 AALKEMW C39H61N9O10S 847.4262 NA PeJP NA NA +PJ052409 GVVKEMW C39H61N9O10S 847.4263 NA PeJP NA NA +PJ052410 PKFFFY C47H57N7O8 847.4269 NA PeJP NA NA +PJ052411 SVKKEEE C35H61N9O15 847.4287 NA PeJP NA NA +PJ052412 SLDKKEE C35H61N9O15 847.4288 NA PeJP NA NA +PJ052413 PVDKKMM C36H65N9O10S2 847.4296 NA PeJP NA NA +PJ052414 TTERRW C36H57N13O11 847.4301 NA PeJP NA NA +PJ052415 LKMFFY C44H61N7O8S 847.4303 NA PeJP NA NA +PJ052416 GHHRRW C37H53N17O7 847.4314 NA PeJP NA NA +PJ052417 PVVLEEY C40H61N7O13 847.4328 NA PeJP NA NA +PJ052418 ASQQKMR C33H61N13O11S 847.4334 NA PeJP NA NA +PJ052419 KEEMRR C33H61N13O11S 847.4335 NA PeJP NA NA +PJ052420 PPLLMMF C41H65N7O8S2 847.4336 NA PeJP NA NA +PJ052421 STLRWW C41H57N11O9 847.4341 NA PeJP NA NA +PJ052422 TLLLEEM C37H65N7O13S 847.4361 NA PeJP NA NA +PJ052423 PLLLMMM C38H69N7O8S3 847.437 NA PeJP NA NA +PJ052424 VKEMRW C38H61N11O9S 847.4375 NA PeJP NA NA +PJ052425 VLHFFW C46H57N9O7 847.4381 NA PeJP NA NA +PJ052426 SSLKEER C34H61N11O14 847.44 NA PeJP NA NA +PJ052427 AVLQMMR C35H65N11O9S2 847.4408 NA PeJP NA NA +PJ052428 SPVKMMR C35H65N11O9S2 847.4409 NA PeJP NA NA +PJ052429 NQQFRR C35H57N15O10 847.4413 NA PeJP NA NA +PJ052430 VVKMWW C43H61N9O7S 847.4415 NA PeJP NA NA +PJ052431 ATTLKEW C39H61N9O12 847.444 NA PeJP NA NA +PJ052432 TEMRRR C32H61N15O10S 847.4447 NA PeJP NA NA +PJ052433 APRRYW C40H57N13O8 847.4453 NA PeJP NA NA +PJ052434 GPPVHRW C40H57N13O8 847.4454 NA PeJP NA NA +PJ052435 ALKKEEM C36H65N9O12S 847.4474 NA PeJP NA NA +PJ052436 VLKYYY C44H61N7O10 847.448 NA PeJP NA NA +PJ052437 SLMRRW C37H61N13O8S 847.4487 NA PeJP NA NA +PJ052438 SSTLERR C33H61N13O13 847.4512 NA PeJP NA NA +PJ052439 PVLLEMF C41H65N7O10S 847.4514 NA PeJP NA NA +PJ052440 AALMMRR C34H65N13O8S2 847.4521 NA PeJP NA NA +PJ052441 DKHHRR C34H57N17O9 847.4526 NA PeJP NA NA +PJ052442 VLLLEMM C38H69N7O10S2 847.4548 NA PeJP NA NA +PJ052443 SSSLLRW C38H61N11O11 847.4552 NA PeJP NA NA +PJ052444 GGGAAPKKY C38H61N11O11 847.4553 NA PeJP NA NA +MJ096111 Ancorinoside A C41H69NO17 847.456549 NA MeJP NA NA +MJ096112 Ancorinoside B C41H69NO17 847.456549 NA MeJP NA NA +PJ052445 PPHRRW C39H57N15O7 847.4566 NA PeJP NA NA +PJ052446 ATLKEMR C35H65N11O11S 847.4586 NA PeJP NA NA +PJ052447 AAPLKYW C43H61N9O9 847.4593 NA PeJP NA NA +PJ052448 SSSQKRR C32H61N15O12 847.4624 NA PeJP NA NA +PJ052449 GGSSTKRR C32H61N15O12 847.4625 NA PeJP NA NA +PJ052450 GTLLKMW C40H65N9O9S 847.4626 NA PeJP NA NA +PJ052451 VMMRRR C33H65N15O7S2 847.4633 NA PeJP NA NA +PJ052452 SHHRRR C33H57N19O8 847.4638 NA PeJP NA NA +PJ052453 TTLKKEE C36H65N9O14 847.4651 NA PeJP NA NA +PJ052454 PTLKKMM C37H69N9O9S2 847.466 NA PeJP NA NA +PJ052455 GSSKKRW C37H61N13O10 847.4665 NA PeJP NA NA +PJ052456 PTLLLEY C41H65N7O12 847.4691 NA PeJP NA NA +PJ052457 VVLLEEF C41H65N7O12 847.4692 NA PeJP NA NA +PJ052458 ATTLMRR C34H65N13O10S 847.4698 NA PeJP NA NA +PJ052459 GGATKKMR C34H65N13O10S 847.4699 NA PeJP NA NA +PJ052460 PVKRYW C42H61N11O8 847.4705 NA PeJP NA NA +MJ096113 Antibiotic B 1371A; 2'-Deoxy, 2',3'-didehydro C46H65N5O10 847.473143 NA MeJP NA NA +PJ052461 QKKKMW C39H65N11O8S 847.4739 NA PeJP NA NA +PJ052462 TTTLKER C35H65N11O13 847.4764 NA PeJP NA NA +PJ052463 GLLKMMR C36H69N11O8S2 847.4772 NA PeJP NA NA +PJ052464 PTRRRY C36H61N15O9 847.4777 NA PeJP NA NA +PJ052465 STTLLKW C40H65N9O11 847.4804 NA PeJP NA NA +PJ052466 GTCKKRR C33H65N15O9S 847.4811 NA PeJP NA NA +PJ052467 ALFRRW C41H61N13O7 847.4817 NA PeJP NA NA +PJ052468 SLLKKEM C37H69N9O11S 847.4838 NA PeJP NA NA +PJ052469 PPVLLFY C45H65N7O9 847.4844 NA PeJP NA NA +PJ052470 CKKKRW C38H65N13O7S 847.4851 NA PeJP NA NA +PJ052471 TTTTLRR C34H65N13O12 847.4876 NA PeJP NA NA +PJ052472 PVLLLMY C42H69N7O9S 847.4878 NA PeJP NA NA +PJ052473 GTTKKKW C39H65N11O10 847.4916 NA PeJP NA NA +MJ096114 Spiramycin S C42H73NO16 847.492935 NA MeJP NA NA +PJ052474 STLLKMR C36H69N11O10S 847.495 NA PeJP NA NA +PJ052475 AALLKFW C44H65N9O8 847.4957 NA PeJP NA NA +PJ052476 SSSKKRR C33H65N15O11 847.4988 NA PeJP NA NA +PJ052477 PVVKKMF C41H69N9O8S 847.499 NA PeJP NA NA +PJ052478 SSSTLLLK C37H69N9O13 847.5015 NA PeJP NA NA +PJ052479 VVLKKMM C38H73N9O8S2 847.5024 NA PeJP NA NA +PJ052480 LLQRRY C38H65N13O9 847.5029 NA PeJP NA NA +PJ052481 VVLLLEY C42H69N7O11 847.5055 NA PeJP NA NA +PJ052482 GTKKKMR C35H69N13O9S 847.5062 NA PeJP NA NA +PJ052483 VLKFRW C43H65N11O7 847.5069 NA PeJP NA NA +PJ052484 KKKKMW C40H69N11O7S 847.5103 NA PeJP NA NA +PJ052485 STKKKKE C36H69N11O12 847.5127 NA PeJP NA NA +PJ052486 GSSTLKKK C36H69N11O12 847.5128 NA PeJP NA NA +PJ052487 VVRRRY C37H65N15O8 847.5141 NA PeJP NA NA +PJ052488 SPLLKKY C41H69N9O10 847.5168 NA PeJP NA NA +PJ052489 PVLLLFF C46H69N7O8 847.5208 NA PeJP NA NA +PJ052490 STTKKKR C35H69N13O11 847.524 NA PeJP NA NA +PJ052491 VLLLLMF C43H73N7O8S 847.5242 NA PeJP NA NA +PJ052492 GVLLKRY C40H69N11O9 847.528 NA PeJP NA NA +PJ052493 SVKKKKM C37H73N11O9S 847.5314 NA PeJP NA NA +PJ052494 LLKRRY C39H69N13O8 847.5392 NA PeJP NA NA +PJ052495 PPPLLRR C39H69N13O8 847.5393 NA PeJP NA NA +PJ052496 TLLLLLY C43H73N7O10 847.5419 NA PeJP NA NA +PJ052497 ALLLKKY C42H73N9O9 847.5532 NA PeJP NA NA +PJ052498 GLKKKKF C41H73N11O8 847.5644 NA PeJP NA NA +HMDB09476 PE(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)) C49H86NO8P 847.609131 NA HMDB2010 NA NA +HMDB09507 PE(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C49H86NO8P 847.609131 NA HMDB2010 NA NA +HMDB09538 PE(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C49H86NO8P 847.609131 NA HMDB2010 NA NA +HMDB09539 PE(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C49H86NO8P 847.609131 NA HMDB2010 NA NA +HMDB09570 PE(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) C49H86NO8P 847.609131 NA HMDB2010 NA NA +HMDB09601 PE(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)) C49H86NO8P 847.609131 NA HMDB2010 NA NA +HMDB09634 PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)) C49H86NO8P 847.609131 NA HMDB2010 NA NA +HMDB09667 PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)) C49H86NO8P 847.609131 NA HMDB2010 NA NA +HMDB09699 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0) C49H86NO8P 847.609131 NA HMDB2010 NA NA +HMDB09764 PE(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C49H86NO8P 847.609131 NA HMDB2010 NA NA +EUR963 PC 36:1 [M-H+acetate]- C44H86NO8P 847.630207 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR963 PC 36:1 [M-H+acetate]- C44H86NO8P 847.630207 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR963 PC 36:1 [M-H+acetate]- C44H86NO8P 847.630207 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR963 PC 36:1 [M-H+acetate]- C44H86NO8P 847.630207 masses lipides attendues Inhousejuil11 NA NA +MJ096115 Rhodoquinone 10 C58H89NO3 847.684245 NA MeJP NA NA +PJ052499 PCCCCCCD C27H44N8O11S6 848.1454 NA PeJP NA NA +PJ052500 GCCCCDDM C27H44N8O13S5 848.1632 NA PeJP NA NA +MJ096116 Victorin B; 5''-Chloro C31H44Cl4N6O13 848.172046 NA MeJP NA NA +PJ052501 SCCCCCNN C26H44N10O12S5 848.1744 NA PeJP NA NA +PJ052502 CCCCCEW C31H44N8O10S5 848.1784 NA PeJP NA NA +PJ052503 SSCCCCDE C27H44N8O15S4 848.1809 NA PeJP NA NA +PJ052504 SPCCCCCM C28H48N8O10S6 848.1818 NA PeJP NA NA +PJ052505 GSCCCDMM C28H48N8O12S5 848.1996 NA PeJP NA NA +PJ052506 CCCNDEY C31H44N8O14S3 848.2139 NA PeJP NA NA +PJ052507 GGCCCDEY C31H44N8O14S3 848.214 NA PeJP NA NA +PJ052508 TCCCCMW C32H48N8O9S5 848.2148 NA PeJP NA NA +MJ096117 Sennidin, 1''-Alcohol, 5,5'-di-O-?-D-glucopyranoside C42H40O19 848.216379 NA MeJP NA NA +MJ096118 Sennidin, 1''-Alcohol, 5,5'-di-O-?-glucopyranoside C42H40O19 848.216379 NA MeJP NA NA +C16797 Sennoside C C42H40O19 848.2164 NA KEGG NA NA +C16798 Sennoside D C42H40O19 848.2164 NA KEGG NA NA +PJ052509 SSSCCCEM C28H48N8O14S4 848.2173 NA PeJP NA NA +PJ052510 CCCQMMM C29H52N8O9S6 848.2182 NA PeJP NA NA +PJ052511 GSCCCCHH C29H44N12O10S4 848.2187 NA PeJP NA NA +PJ052512 GPCCCDDH C30H44N10O13S3 848.2252 NA PeJP NA NA +PJ052513 GCCCDYW C35H44N8O11S3 848.2292 NA PeJP NA NA +PJ052514 CCCCMMR C28H52N10O8S6 848.2294 NA PeJP NA NA +PJ052515 GSSCCDDY C31H44N8O16S2 848.2317 NA PeJP NA NA +PJ052516 GPTCCCCY C32H48N8O11S4 848.2326 NA PeJP NA NA +PJ052517 GSSCCMMM C29H52N8O11S5 848.2359 NA PeJP NA NA +MJ096119 3,4,7a,8,11-Pentahydroxy-1,13-dimethyl-7aH-dibenzo[c,kl]xanthen-12-one; 8-O-?-D-Glucopyranoside, 4-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C39H44O21 848.237508 NA MeJP NA NA +MJ096120 Diphyllin; O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranosyl-(1?5)-2-O-acetyl-?-D-apiofuranoside] C39H44O21 848.237508 NA MeJP NA NA +PJ052518 CNDDDMH C30H44N10O15S2 848.2429 NA PeJP NA NA +PJ052519 GGCDDDMH C30H44N10O15S2 848.243 NA PeJP NA NA +PJ052520 CCCCDFR C31H48N10O10S4 848.2438 NA PeJP NA NA +PJ052521 GCCCMFW C36H48N8O8S4 848.2478 NA PeJP NA NA +PJ052522 SCCNEMY C32H48N8O13S3 848.2503 NA PeJP NA NA +PJ052523 SSSTCCMM C29H52N8O13S4 848.2537 NA PeJP NA NA +PJ052524 GSCCNNDH C29H44N12O14S2 848.2542 NA PeJP NA NA +PJ052525 CCCKMMM C30H56N8O8S6 848.2546 NA PeJP NA NA +PJ052526 GCCDEHW C34H44N10O12S2 848.2582 NA PeJP NA NA +PJ052527 GSSCDDEH C30H44N10O17S 848.2607 NA PeJP NA NA +PJ052528 SCCCDRY C31H48N10O12S3 848.2616 NA PeJP NA NA +PJ052529 GCNDDYY C35H44N8O15S 848.2647 NA PeJP NA NA +PJ052530 GSCCMYW C36H48N8O10S3 848.2656 NA PeJP NA NA +PJ052531 GSPDDDDE C31H44N8O20 848.2672 NA PeJP NA NA +PJ052532 GSSSCDMY C32H48N8O15S2 848.2681 NA PeJP NA NA +PJ052533 ACCQMMY C33H52N8O10S4 848.2689 NA PeJP NA NA +PJ052534 GCNMMMY C33H52N8O10S4 848.269 NA PeJP NA NA +PJ052535 CCNNQMH C30H48N12O11S3 848.2728 NA PeJP NA NA +PJ052536 CCDHWW C38H44N10O9S2 848.2735 NA PeJP NA NA +PJ052537 SSCDDHW C34H44N10O14S 848.276 NA PeJP NA NA +PJ052538 PTCCCHW C35H48N10O9S3 848.2768 NA PeJP NA NA +PJ052539 NNDDDQE C30H44N10O19 848.2784 NA PeJP NA NA +PJ052540 SSSSDDDH C30H44N10O19 848.2785 NA PeJP NA NA +PJ052541 SNDDMMH C31H48N10O14S2 848.2793 NA PeJP NA NA +PJ052542 ACCCMRY C32H52N10O9S4 848.2802 NA PeJP NA NA +PJ052543 SPDDDDW C35H44N8O17 848.2825 NA PeJP NA NA +PJ052544 SSTCCYW C36H48N8O12S2 848.2833 NA PeJP NA NA +PJ052545 PPCCDEW C36H48N8O12S2 848.2834 NA PeJP NA NA +PJ052546 CCCNNHR C29H48N14O10S3 848.284 NA PeJP NA NA +PJ052547 GGGGCCCHR C29H48N14O10S3 848.2841 NA PeJP NA NA +PJ052548 SSSSSCEY C32H48N8O17S 848.2858 NA PeJP NA NA +PJ052549 PNDDEEM C32H48N8O17S 848.2859 NA PeJP NA NA +PJ052550 SSCQMMY C33H52N8O12S3 848.2867 NA PeJP NA NA +PJ052551 GSNNNNDD C29H44N12O18 848.2897 NA PeJP NA NA +PJ052552 DEEMYY C37H48N6O15S 848.2899 NA PeJP NA NA +PJ052553 SCCDEHR C30H48N12O13S2 848.2906 NA PeJP NA NA +PJ052554 PCCCMHR C31H52N12O8S4 848.2914 NA PeJP NA NA +PJ052555 GNNDDEW C34H44N10O16 848.2937 NA PeJP NA NA +PJ052556 GSCEMHW C35H48N10O11S2 848.2946 NA PeJP NA NA +PJ052557 PCDDDER C31H48N10O16S 848.2971 NA PeJP NA NA +PJ052558 SSCCMRY C32H52N10O11S3 848.2979 NA PeJP NA NA +PJ052559 GNEMMMH C32H52N10O11S3 848.298 NA PeJP NA NA +PJ052560 SCNDHHH C32H44N14O12S 848.2984 NA PeJP NA NA +PJ052561 CCQFYW C40H48N8O9S2 848.2986 NA PeJP NA NA +PJ052562 GPDDEMW C36H48N8O14S 848.3011 NA PeJP NA NA +PJ052563 GCNMMFF C37H52N8O9S3 848.302 NA PeJP NA NA +PJ052564 GQEEEEE C32H48N8O19 848.3036 NA PeJP NA NA +PJ052565 GSSSSMMY C33H52N8O14S2 848.3045 NA PeJP NA NA +PJ052566 PNDDDHH C33H44N12O15 848.305 NA PeJP NA NA +PJ052567 ACCKMMY C34H56N8O9S4 848.3053 NA PeJP NA NA +PJ052568 APPPCCMM C34H56N8O9S4 848.3054 NA PeJP NA NA +PJ052569 SSSSCNQH C30H48N12O15S 848.3083 NA PeJP NA NA +PJ052570 GGGGGGGGGGEM C30H48N12O15S 848.3084 NA PeJP NA NA +PJ052571 EEMMFY C38H52N6O12S2 848.3085 NA PeJP NA NA +PJ052572 NNDDWW C38H44N10O13 848.309 NA PeJP NA NA +PJ052573 GCDMMHR C31H52N12O10S3 848.3092 NA PeJP NA NA +PJ052574 SCMHWW C39H48N10O8S2 848.3098 NA PeJP NA NA +MJ096121 Procerin C41H52O19 848.310279 NA MeJP NA NA +PJ052575 SSSDMHW C35H48N10O13S 848.3123 NA PeJP NA NA +PJ052576 GGGGSPCEW C35H48N10O13S 848.3124 NA PeJP NA NA +PJ052577 NMMMHW C36H52N10O8S3 848.3132 NA PeJP NA NA +PJ052578 ADDDEER C31H48N10O18 848.3148 NA PeJP NA NA +PJ052579 GDDEEER C31H48N10O18 848.3149 NA PeJP NA NA +PJ052580 SSQEMMH C32H52N10O13S2 848.3157 NA PeJP NA NA +PJ052581 SCQYYW C40H48N8O11S 848.3163 NA PeJP NA NA +PJ052582 PDDMWW C40H48N8O11S 848.3164 NA PeJP NA NA +PJ052583 PCCKMMH C33H56N10O8S4 848.3166 NA PeJP NA NA +PJ052584 ACNMHHH C33H48N14O9S2 848.317 NA PeJP NA NA +PJ052585 GCQMHHH C33H48N14O9S2 848.3171 NA PeJP NA NA +PJ052586 SSSNEYY C36H48N8O16 848.3188 NA PeJP NA NA +PJ052587 QEEEEW C36H48N8O16 848.3189 NA PeJP NA NA +PJ052588 CNNNNDR C29H48N14O14S 848.3195 NA PeJP NA NA +PJ052589 GGCNNNDR C29H48N14O14S 848.3196 NA PeJP NA NA +PJ052590 SPPCEMW C37H52N8O11S2 848.3197 NA PeJP NA NA +PJ052591 SSSSSTMY C33H52N8O16S 848.3222 NA PeJP NA NA +PJ052592 PDEYYY C41H48N6O14 848.3229 NA PeJP NA NA +PJ052593 SSCKMMY C34H56N8O11S3 848.3231 NA PeJP NA NA +PJ052594 GNNNNMW C34H48N12O12S 848.3236 NA PeJP NA NA +PJ052595 SNNDDER C30H48N12O17 848.3261 NA PeJP NA NA +PJ052596 SSCEMHR C31H52N12O12S2 848.3269 NA PeJP NA NA +PJ052597 GGPCNDMR C31H52N12O12S2 848.327 NA PeJP NA NA +PJ052598 GSPCNWW C39H48N10O10S 848.3276 NA PeJP NA NA +PJ052599 GCCHHHR C32H48N16O8S2 848.3283 NA PeJP NA NA +MJ096122 Delta sleep-inducing peptide C35H48N10O15 848.33006 NA MeJP NA NA +PJ052600 DDEERW C35H48N10O15 848.3301 NA PeJP NA NA +PJ052601 GSTMMHW C36H52N10O10S2 848.331 NA PeJP NA NA +PJ052602 SPDDEMR C32H52N10O15S 848.3335 NA PeJP NA NA +PJ052603 AEEEWW C40H48N8O13 848.3341 NA PeJP NA NA +PJ052604 PPCDMMR C33H56N10O10S3 848.3343 NA PeJP NA NA +PJ052605 GGGPPCCKM C33H56N10O10S3 848.3344 NA PeJP NA NA +PJ052606 SSNMHHH C33H48N14O11S 848.3348 NA PeJP NA NA +PJ052607 CCKFYW C41H52N8O8S2 848.335 NA PeJP NA NA +PJ052608 GPTEEMW C37H52N8O13S 848.3375 NA PeJP NA NA +PJ052609 GPPMMMW C38H56N8O8S3 848.3384 NA PeJP NA NA +PJ052610 GKEEEEE C33H52N8O18 848.34 NA PeJP NA NA +PJ052611 PVNEEMM C34H56N8O13S2 848.3409 NA PeJP NA NA +PJ052612 GSNDDRW C34H48N12O14 848.3413 NA PeJP NA NA +PJ052613 GGGGGGGGSTW C34H48N12O14 848.3414 NA PeJP NA NA +PJ052614 PEMFYY C42H52N6O11S 848.3415 NA PeJP NA NA +PJ052615 GPCCQRW C35H52N12O9S2 848.3422 NA PeJP NA NA +PJ052616 ACHFWW C43H48N10O7S 848.3429 NA PeJP NA NA +PJ052617 GNNEEMR C31H52N12O14S 848.3447 NA PeJP NA NA +PJ052618 LEMMYY C39H56N6O11S2 848.3449 NA PeJP NA NA +PJ052619 SNQEWW C39H48N10O12 848.3453 NA PeJP NA NA +PJ052620 GGSQEWW C39H48N10O12 848.3454 NA PeJP NA NA +PJ052621 GSMMMHR C32H56N12O9S3 848.3456 NA PeJP NA NA +PJ052622 MMHHFF C40H52N10O7S2 848.3462 NA PeJP NA NA +MJ096123 Dysoxylumin A; 16-Deacyl, 16-(2-hydroxy-3-methylbutanoyl) C42H56O18 848.346664 NA MeJP NA NA +PJ052623 SSTTMHW C36H52N10O12S 848.3487 NA PeJP NA NA +PJ052624 GNFYYW C44H48N8O10 848.3494 NA PeJP NA NA +PJ052625 GTEEEER C32H52N10O17 848.3512 NA PeJP NA NA +PJ052626 GPEEMMR C33H56N10O12S2 848.3521 NA PeJP NA NA +PJ052627 GSSSTHHH C33H48N14O13 848.3526 NA PeJP NA NA +PJ052628 PTEMWW C41H52N8O10S 848.3527 NA PeJP NA NA +PJ052629 GPPDMFW C41H52N8O10S 848.3528 NA PeJP NA NA +PJ052630 PPCCHHR C34H52N14O8S2 848.3534 NA PeJP NA NA +PJ052631 SPTTEEW C37H52N8O15 848.3552 NA PeJP NA NA +PJ052632 KEEEEW C37H52N8O15 848.3553 NA PeJP NA NA +PJ052633 GCNDERR C30H52N14O13S 848.3559 NA PeJP NA NA +PJ052634 GGGCDERR C30H52N14O13S 848.356 NA PeJP NA NA +PJ052635 GPVEMMW C38H56N8O10S2 848.3561 NA PeJP NA NA +PJ052636 GSPEHHW C38H48N12O11 848.3566 NA PeJP NA NA +PJ052637 SPKEEEM C34H56N8O15S 848.3586 NA PeJP NA NA +PJ052638 VEEFYY C42H52N6O13 848.3593 NA PeJP NA NA +PJ052639 PPDKMMM C35H60N8O10S3 848.3595 NA PeJP NA NA +PJ052640 NNEMRW C35H52N12O11S 848.36 NA PeJP NA NA +PJ052641 GSQWWW C43H48N10O9 848.3606 NA PeJP NA NA +PJ052642 SSNQEER C31H52N12O16 848.3624 NA PeJP NA NA +PJ052643 GGSSQEER C31H52N12O16 848.3625 NA PeJP NA NA +PJ052644 SSTMMHR C32H56N12O11S2 848.3633 NA PeJP NA NA +PJ052645 GNNDHHR C32H48N16O12 848.3638 NA PeJP NA NA +PJ052646 AQQMWW C40H52N10O9S 848.364 NA PeJP NA NA +PJ052647 TEEERW C36H52N10O14 848.3665 NA PeJP NA NA +PJ052648 APCNKMW C37H56N10O9S2 848.3673 NA PeJP NA NA +PJ052649 PEMMRW C37H56N10O9S2 848.3674 NA PeJP NA NA +PJ052650 NQQHHW C37H48N14O10 848.3678 NA PeJP NA NA +PJ052651 SSSSTLMH C33H56N10O14S 848.3698 NA PeJP NA NA +PJ052652 GVEEEMR C33H56N10O14S 848.3699 NA PeJP NA NA +PJ052653 SLEEWW C41H52N8O12 848.3705 NA PeJP NA NA +PJ052654 SPPMMMR C34H60N10O9S3 848.3707 NA PeJP NA NA +PJ052655 CNDRRW C34H52N14O10S 848.3712 NA PeJP NA NA +PJ052656 PVMMWW C42H56N8O7S2 848.3714 NA PeJP NA NA +PJ052657 SPHHWW C42H48N12O8 848.3718 NA PeJP NA NA +PJ052658 SSNDDRR C30H52N14O15 848.3737 NA PeJP NA NA +PJ052659 AALEEMW C38H56N8O12S 848.3739 NA PeJP NA NA +PJ052660 PPFYYY C46H52N6O10 848.3745 NA PeJP NA NA +PJ052661 SPCCQRR C31H56N14O10S2 848.3746 NA PeJP NA NA +PJ052662 GNMRWW C39H52N12O8S 848.3752 NA PeJP NA NA +PJ052663 SVKEEEE C34H56N8O17 848.3764 NA PeJP NA NA +PJ052664 PVDKEMM C35H60N8O12S2 848.3772 NA PeJP NA NA +PJ052665 GAPTLEMM C35H60N8O12S2 848.3773 NA PeJP NA NA +PJ052666 GSSQERW C35H52N12O13 848.3777 NA PeJP NA NA +PJ052667 GGGGGGGGGGLF C35H52N12O13 848.3778 NA PeJP NA NA +PJ052668 PLMYYY C43H56N6O10S 848.3779 NA PeJP NA NA +PJ052669 GPCCKRW C36H56N12O8S2 848.3786 NA PeJP NA NA +PJ052670 GPQHHHH C36H48N16O9 848.3791 NA PeJP NA NA +PJ052671 EEEMRR C32H56N12O13S 848.3811 NA PeJP NA NA +PJ052672 SNKEWW C40H52N10O11 848.3817 NA PeJP NA NA +PJ052673 GGGGGPVYW C40H52N10O11 848.3818 NA PeJP NA NA +PJ052674 CCCKKKH C33H60N12O8S3 848.382 NA PeJP NA NA +PJ052675 VEEMRW C37H56N10O11S 848.3851 NA PeJP NA NA +PJ052676 PPTYWW C45H52N8O9 848.3858 NA PeJP NA NA +PJ052677 SSLEEER C33H56N10O16 848.3876 NA PeJP NA NA +PJ052678 SPVEMMR C34H60N10O11S2 848.3885 NA PeJP NA NA +PJ052679 GNNNQFR C34H52N14O12 848.3889 NA PeJP NA NA +PJ052680 GGGNNQFR C34H52N14O12 848.389 NA PeJP NA NA +PJ052681 VVEMWW C42H56N8O9S 848.3891 NA PeJP NA NA +PJ052682 CMHFRR C35H56N14O7S2 848.3898 NA PeJP NA NA +PJ052683 ATTLEEW C38H56N8O14 848.3916 NA PeJP NA NA +PJ052684 GSNEMRR C31H56N14O12S 848.3923 NA PeJP NA NA +PJ052685 APTLMMW C39H60N8O9S2 848.3925 NA PeJP NA NA +PJ052686 SSQRWW C39H52N12O10 848.393 NA PeJP NA NA +PJ052687 ALKEEEM C35H60N8O14S 848.395 NA PeJP NA NA +PJ052688 VLEYYY C43H56N6O12 848.3956 NA PeJP NA NA +PJ052689 PVLQMMM C36H64N8O9S3 848.3959 NA PeJP NA NA +PJ052690 NDKMRW C36H56N12O10S 848.3963 NA PeJP NA NA +PJ052691 GGDKMRW C36H56N12O10S 848.3964 NA PeJP NA NA +PJ052692 GSKWWW C44H52N10O8 848.397 NA PeJP NA NA +PJ052693 SSNKEER C32H56N12O15 848.3988 NA PeJP NA NA +PJ052694 GGSSKEER C32H56N12O15 848.3989 NA PeJP NA NA +PJ052695 GVQQMMR C33H60N12O10S2 848.3997 NA PeJP NA NA +PJ052696 DEHHRR C33H52N16O11 848.4002 NA PeJP NA NA +PJ052697 AQKMWW C41H56N10O8S 848.4004 NA PeJP NA NA +MJ096124 Kapakahine B C49H52N8O6 848.400981 NA MeJP NA NA +PJ052698 GSDKKEW C37H56N10O13 848.4029 NA PeJP NA NA +PJ052699 GSCDRRR C30H56N16O11S 848.4036 NA PeJP NA NA +PJ052700 GPCKKMW C38H60N10O8S2 848.4037 NA PeJP NA NA +PJ052701 VDHHRW C38H52N14O9 848.4042 NA PeJP NA NA +PJ052702 ATLEEMR C34H60N10O13S 848.4062 NA PeJP NA NA +PJ052703 GGAKKEEM C34H60N10O13S 848.4063 NA PeJP NA NA +PJ052704 AAPLEYW C42H56N8O11 848.4069 NA PeJP NA NA +PJ052705 APLMMMR C35H64N10O8S3 848.4071 NA PeJP NA NA +PJ052706 SNMRRW C35H56N14O9S 848.4076 NA PeJP NA NA +PJ052707 ALHHWW C43H52N12O7 848.4082 NA PeJP NA NA +PJ052708 SSSQERR C31H56N14O14 848.4101 NA PeJP NA NA +PJ052709 PTTTLMW C39H60N8O11S 848.4102 NA PeJP NA NA +MJ096125 Annosquamosin A C39H60N8O11S 848.410225 NA MeJP NA NA +MJ096126 Squamin A C39H60N8O11S 848.410225 NA MeJP NA NA +MJ096127 Vioprolide C C39H60N8O11S 848.410225 NA MeJP NA NA +MJ096128 Vioprolide D C39H60N8O11S 848.410225 NA MeJP NA NA +PJ052710 GTLLEMW C39H60N8O11S 848.4103 NA PeJP NA NA +PJ052711 PLFFYY C47H56N6O9 848.4109 NA PeJP NA NA +PJ052712 GAQMMRR C32H60N14O9S2 848.411 NA PeJP NA NA +PJ052713 ACKRWW C40H56N12O7S 848.4116 NA PeJP NA NA +PJ052714 TTLKEEE C35H60N8O16 848.4128 NA PeJP NA NA +PJ052715 PTLKEMM C36H64N8O11S2 848.4136 NA PeJP NA NA +PJ052716 GSSKERW C36H56N12O12 848.4141 NA PeJP NA NA +PJ052717 LLMFYY C44H60N6O9S 848.4143 NA PeJP NA NA +PJ052718 KMMHFR C37H60N12O7S2 848.415 NA PeJP NA NA +PJ052719 GPKHHHH C37H52N16O8 848.4155 NA PeJP NA NA +PJ052720 GTQKEMR C33H60N12O12S 848.4175 NA PeJP NA NA +PJ052721 SDKKWW C41H56N10O10 848.4181 NA PeJP NA NA +PJ052722 QKKEMW C38H60N10O10S 848.4215 NA PeJP NA NA +PJ052723 PVVYWW C46H56N8O8 848.4221 NA PeJP NA NA +PJ052724 GPPVFFW C46H56N8O8 848.4222 NA PeJP NA NA +PJ052725 TTTLEER C34H60N10O15 848.424 NA PeJP NA NA +PJ052726 GLLEMMR C35H64N10O10S2 848.4249 NA PeJP NA NA +PJ052727 GSSTRRW C35H56N14O11 848.4253 NA PeJP NA NA +PJ052728 GGGAEFRR C35H56N14O11 848.4254 NA PeJP NA NA +PJ052729 TLLMWW C43H60N8O8S 848.4255 NA PeJP NA NA +PJ052730 STTLLEW C39H60N8O13 848.428 NA PeJP NA NA +PJ052731 GSDKMRR C32H60N14O11S 848.4287 NA PeJP NA NA +PJ052732 GVLLMMW C40H64N8O8S2 848.4289 NA PeJP NA NA +PJ052733 SSKRWW C40H56N12O9 848.4294 NA PeJP NA NA +PJ052734 SLLKEEM C36H64N8O13S 848.4314 NA PeJP NA NA +PJ052735 PVLKMMM C37H68N8O8S3 848.4323 NA PeJP NA NA +PJ052736 TQKMRW C37H60N12O9S 848.4327 NA PeJP NA NA +PJ052737 PPFFRW C45H56N10O7 848.4334 NA PeJP NA NA +PJ052738 SSDKKER C33H60N12O14 848.4352 NA PeJP NA NA +PJ052739 GVQKMMR C34H64N12O9S2 848.4361 NA PeJP NA NA +PJ052740 GSQKHHR C34H56N16O10 848.4366 NA PeJP NA NA +PJ052741 AKKMWW C42H60N10O7S 848.4368 NA PeJP NA NA +PJ052742 GTTKKEW C38H60N10O12 848.4392 NA PeJP NA NA +PJ052743 GGSTTLKW C38H60N10O12 848.4393 NA PeJP NA NA +PJ052744 GSSMRRR C31H60N16O10S 848.4399 NA PeJP NA NA +PJ052745 LLMMRW C39H64N10O7S2 848.4401 NA PeJP NA NA +PJ052746 GQFRRW C39H56N14O8 848.4406 NA PeJP NA NA +PJ052747 STLLEMR C35H64N10O12S 848.4426 NA PeJP NA NA +PJ052748 GPTLLYW C43H60N8O10 848.4433 NA PeJP NA NA +PJ052749 TCKRRW C36H60N14O8S 848.444 NA PeJP NA NA +PJ052750 SSSKERR C32H60N14O13 848.4465 NA PeJP NA NA +PJ052751 SSLLLMW C40H64N8O10S 848.4466 NA PeJP NA NA +PJ052752 GGPVLLMY C40H64N8O10S 848.4467 NA PeJP NA NA +PJ052753 LLFFFY C48H60N6O8 848.4473 NA PeJP NA NA +PJ052754 SSSTLLLE C36H64N8O15 848.4491 NA PeJP NA NA +PJ052755 VVLKEMM C37H68N8O10S2 848.45 NA PeJP NA NA +PJ052756 GTTTKRW C37H60N12O11 848.4505 NA PeJP NA NA +PJ052757 PHHFRR C38H56N16O7 848.4518 NA PeJP NA NA +PJ052758 SSLQKMR C34H64N12O11S 848.4538 NA PeJP NA NA +PJ052759 GTKKEMR C34H64N12O11S 848.4539 NA PeJP NA NA +PJ052760 TTKKWW C42H60N10O9 848.4545 NA PeJP NA NA +PJ052761 LMHHRR C35H60N16O7S 848.4552 NA PeJP NA NA +MJ096129 Cryptoporic acid G; 5'''-Me ester C45H68O15 848.455821 NA MeJP NA NA +PJ052762 SSSTRRR C31H60N16O12 848.4577 NA PeJP NA NA +PJ052763 KKKEMW C39H64N10O9S 848.4579 NA PeJP NA NA +PJ052764 VVLFWW C47H60N8O7 848.4585 NA PeJP NA NA +PJ052765 CKMRRR C32H64N16O7S2 848.4586 NA PeJP NA NA +PJ052766 STKKKEE C35H64N10O14 848.4604 NA PeJP NA NA +PJ052767 SVLLMMR C36H68N10O9S2 848.4612 NA PeJP NA NA +PJ052768 TCLLLMR C36H68N10O9S2 848.4613 NA PeJP NA NA +PJ052769 VQQRRY C36H60N14O10 848.4617 NA PeJP NA NA +PJ052770 SPLLKEY C40H64N8O12 848.4644 NA PeJP NA NA +3899 temporin L FVQWFSKFLGRILG 848.46495 MH2+ Inhouse_peptide NA peptide +PJ052771 GTTKMRR C33H64N14O10S 848.4651 NA PeJP NA NA +PJ052772 VNKFRW C41H60N12O8 848.4657 NA PeJP NA NA +PJ052773 GGVKFRW C41H60N12O8 848.4658 NA PeJP NA NA +PJ052774 GTTTLLLM C37H68N8O12S 848.4678 NA PeJP NA NA +PJ052775 TKKMRW C38H64N12O8S 848.4691 NA PeJP NA NA +PJ052776 STTKKER C34H64N12O13 848.4716 NA PeJP NA NA +PJ052777 GVKKMMR C35H68N12O8S2 848.4725 NA PeJP NA NA +PJ052778 AQRRRY C35H60N16O9 848.473 NA PeJP NA NA +PJ052779 SSTLKKW C39H64N10O11 848.4756 NA PeJP NA NA +PJ052780 GGGAALLKY C39H64N10O11 848.4757 NA PeJP NA NA +PJ052781 GKFRRW C40H60N14O7 848.477 NA PeJP NA NA +PJ052782 SVKKKEM C36H68N10O11S 848.479 NA PeJP NA NA +PJ052783 AALLLYW C44H64N8O9 848.4797 NA PeJP NA NA +PJ052784 STTTKRR C33H64N14O12 848.4828 NA PeJP NA NA +PJ052785 PVVLKMY C41H68N8O9S 848.483 NA PeJP NA NA +PJ052786 KKMMRR C34H68N14O7S2 848.4837 NA PeJP NA NA +PJ052787 PQHRRR C34H60N18O8 848.4842 NA PeJP NA NA +PJ052788 STTTTLLL C37H68N8O14 848.4855 NA PeJP NA NA +PJ052789 TLLLKMM C38H72N8O9S2 848.4864 NA PeJP NA NA +PJ052790 LLERRY C38H64N12O10 848.4869 NA PeJP NA NA +PJ052791 SSLKKMR C35H68N12O10S 848.4902 NA PeJP NA NA +PJ052792 GGTCKKKK C35H68N12O10S 848.4903 NA PeJP NA NA +PJ052793 VLLRYW C43H64N10O8 848.4909 NA PeJP NA NA +MJ096130 12-Oleanene-3,16,21,22,23,28-hexol, 22-Tigloyl, 21-O-(2-methylbutanoyl), 3-O-?-D-glucuronopyranoside C46H72O14 848.492207 NA MeJP NA NA +MJ096131 Tartrolone A1 C46H72O14 848.492207 NA MeJP NA NA +PJ052794 GLLLMFR C40H68N10O8S 848.4943 NA PeJP NA NA +PJ052795 SSSSLLKK C36H68N10O13 848.4968 NA PeJP NA NA +PJ052796 ALKKKMM C37H72N10O8S2 848.4976 NA PeJP NA NA +PJ052797 VQKRRY C37H64N14O9 848.4981 NA PeJP NA NA +PJ052798 ALLLKEY C41H68N8O11 848.5008 NA PeJP NA NA +PJ052799 GSSSKKKK C35H68N12O12 848.508 NA PeJP NA NA +PJ052800 AKRRRY C36H64N16O8 848.5093 NA PeJP NA NA +PJ052801 APPPRRR C36H64N16O8 848.5094 NA PeJP NA NA +PJ052802 ATLLLRY C40H68N10O10 848.512 NA PeJP NA NA +MJ096132 5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 13-O-(6-O-Acetyl-?-D-mannopyranoside), D-mannitol-1-yl ester C43H76O16 848.513336 NA MeJP NA NA +PJ052803 TTLKKKM C37H72N10O10S 848.5154 NA PeJP NA NA +PJ052804 PVVLKFF C45H68N8O8 848.5161 NA PeJP NA NA +PJ052805 VVLLKMF C42H72N8O8S 848.5194 NA PeJP NA NA +PJ052806 PKHRRR C35H64N18O7 848.5206 NA PeJP NA NA +PJ052807 AALKKRY C39H68N12O9 848.5233 NA PeJP NA NA +PJ052808 SCKKKKK C36H72N12O9S 848.5266 NA PeJP NA NA +PJ052809 LKKKFW C44H68N10O7 848.5273 NA PeJP NA NA +MJ096133 Moyukamycin C47H76O13 848.528592 NA MeJP NA NA +PJ052810 VKKRRY C38H68N14O8 848.5345 NA PeJP NA NA +PJ052811 SLLLLKY C42H72N8O10 848.5372 NA PeJP NA NA +PJ052812 GLLKKKY C41H72N10O9 848.5484 NA PeJP NA NA +PJ052813 VVLLLHR C40H72N12O8 848.5597 NA PeJP NA NA +MJ096134 Antibiotic A 130C C48H80O12 848.564978 NA MeJP NA NA +PJ052814 APPLLLLL C43H76N8O9 848.5736 NA PeJP NA NA +PJ052815 LLLLLKH C42H76N10O8 848.5848 NA PeJP NA NA +HMDB06484 2-Decaprenyl-3-methyl-6-methoxy-1,4-benzoquinone C58H88O4 848.66827 http://www.hmdb.ca/metabolites/HMDB06484 HMDB NA NA +HMDB06484 2-Decaprenyl-3-methyl-6-methoxy-1,4-benzoquinone C58H88O4 848.66827 HMDB06484 PFEM_hmdb_metabocards_official NA NA +HMDB06484 2-Decaprenyl-3-methyl-6-methoxy-1,4-benzoquinone C58H88O4 848.668274 NA HMDB2010 NA NA +HMDB10517 TG(20:4(5Z,8Z,11Z,14Z)/14:0/18:3(9Z,12Z,15Z))[iso6] C55H92O6 848.689392 NA HMDB2010 NA NA +EUR1148 SM(d18:0/22:0) [M-H+acetate]- C45H93N2O6P 848.698226 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1148 SM(d18:0/22:0) [M-H+acetate]- C45H93N2O6P 848.698226 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1148 SM(d18:0/22:0) [M-H+acetate]- C45H93N2O6P 848.698226 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1148 SM(d18:0/22:0) [M-H+acetate]- C45H93N2O6P 848.698226 masses lipides attendues Inhousejuil11 NA NA +MJ096135 Bistheonellasterone C60H96O2 848.741032 NA MeJP NA NA +MJ096136 Iosimide C21H30I3N3O9 848.911609 NA MeJP NA NA +7856 NA YGGFLRRQQFKVVT 848.96 MH2+ Inhouse_peptide NA peptide +C04739 UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine C23H38N3O25P3 849.1007 NA KEGG NA NA +C04740 alpha-N-Acetylneuraminyl-2,6-beta-galactosyl-1,4-beta-D- C42H73N2O21R 849.1007 NA KEGG NA NA +MetaCyc04180 UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine [] C23H38N3O25P3 849.100723 NA metacyc NA NA +HMDB01493 3-Methylcrotonyl-CoA C26H42N7O17P3S 849.15704 http://www.hmdb.ca/metabolites/HMDB01493 HMDB NA NA +HMDB02054 Tiglyl-CoA C26H42N7O17P3S 849.15704 http://www.hmdb.ca/metabolites/HMDB02054 HMDB NA NA +HMDB01493 3-Methylcrotonyl-CoA C26H42N7O17P3S 849.15704 HMDB01493 PFEM_hmdb_metabocards_official NA NA +HMDB02054 Tiglyl-CoA C26H42N7O17P3S 849.15704 HMDB02054 PFEM_hmdb_metabocards_official NA NA +MJ096137 2-Methylbut-2-enoyl-CoA C26H42N7O17P3S 849.157073 NA MeJP NA NA +MJ096138 3-Methylcrotonoyl-CoA C26H42N7O17P3S 849.157073 NA MeJP NA NA +MetaCyc04181 tiglyl-CoA [2-methylbut-2-enoyl-CoA;trans-2-methylbut-2-enoyl-CoA;tigloyl-CoA;tiglyl-CoA;methylcrotonyl-CoA;] C26H42N7O17P3S1 849.157073 6247-62-7 metacyc NA NA +MetaCyc04182 2-methylcrotonoyl-CoA [2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;(E)-2-Methylcrotonoyl-CoA;methylcrotonoyl-CoA;tigloyl-CoA;] C26H42N7O17P3S1 849.157073 NA metacyc NA NA +MetaCyc04183 3-methylcrotonyl-CoA [β-methylcrotonoyl-CoA;3-methylbut-2-enoyl-CoA;] C26H42N7O17P3S1 849.157073 NA metacyc NA NA +C02451 Pent-2-enoyl-CoA C26H42N7O17P3S 849.1571 NA KEGG NA NA +C03069 3-Methylcrotonyl-CoA C26H42N7O17P3S 849.1571 NA KEGG NA NA +C03345 2-Methylbut-2-enoyl-CoA C26H42N7O17P3S 849.1571 NA KEGG NA NA +C03466 3-Methyl-vinylacetyl-CoA C26H42N7O17P3S 849.1571 NA KEGG NA NA +HMDB01493 3-Methylcrotonyl-CoA C26H42N7O17P3S 849.157104 NA HMDB2010 NA NA +HMDB02054 Tiglyl-CoA C26H42N7O17P3S 849.157104 NA HMDB2010 NA NA +PJ052816 SCCCCCND C26H43N9O13S5 849.1584 NA PeJP NA NA +PJ052817 GCCCCCQM C27H47N9O10S6 849.1771 NA PeJP NA NA +PJ052818 GCCCCCCR C26H47N11O9S6 849.1883 NA PeJP NA NA +PJ052819 SSCCCCNM C27H47N9O12S5 849.1948 NA PeJP NA NA +PJ052820 CCCDDEY C31H43N7O15S3 849.198 NA PeJP NA NA +PJ052821 CCCEMMM C29H51N7O10S6 849.2022 NA PeJP NA NA +PJ052822 GSSSTCCCC C27H47N9O14S4 849.2126 NA PeJP NA NA +PJ052823 GCCCCCKM C28H51N9O9S6 849.2134 NA PeJP NA NA +PJ052824 CCCDEMF C32H47N7O12S4 849.2166 NA PeJP NA NA +PJ052825 CDDDDMH C30H43N9O16S2 849.227 NA PeJP NA NA +PJ052826 CCCNNMY C31H47N9O11S4 849.2278 NA PeJP NA NA +PJ052827 SSSSSSCCC C27H47N9O16S3 849.2303 NA PeJP NA NA +PJ052828 STCCCCCK C28H51N9O11S5 849.2312 NA PeJP NA NA +PJ052829 SCCDEMY C32H47N7O14S3 849.2343 NA PeJP NA NA +PJ052830 PCCCMMY C33H51N7O9S5 849.2352 NA PeJP NA NA +PJ052831 GSCCNDDH C29H43N11O15S2 849.2382 NA PeJP NA NA +PJ052832 TCCMMMM C30H55N7O9S6 849.2386 NA PeJP NA NA +PJ052833 GPCCCCQH C30H47N11O10S4 849.2391 NA PeJP NA NA +PJ052834 GPCNDDDD C30H43N9O18S 849.2447 NA PeJP NA NA +PJ052835 GSSCCCQY C31H47N9O13S3 849.2456 NA PeJP NA NA +PJ052836 GCDDDYY C35H43N7O16S 849.2487 NA PeJP NA NA +PJ052837 PCCCDFY C36H47N7O11S3 849.2496 NA PeJP NA NA +PJ052838 GCDMMMY C33H51N7O11S4 849.253 NA PeJP NA NA +PJ052839 CCNNEMH C30H47N11O12S3 849.2568 NA PeJP NA NA +PJ052840 CCCNNFF C35H47N9O10S3 849.2608 NA PeJP NA NA +PJ052841 GGGGCCCFF C35H47N9O10S3 849.2609 NA PeJP NA NA +PJ052842 NNDDDEE C30H43N9O20 849.2625 NA PeJP NA NA +PJ052843 SSSSCCNY C31H47N9O15S2 849.2633 NA PeJP NA NA +PJ052844 GGSPPCCDD C31H47N9O15S2 849.2634 NA PeJP NA NA +PJ052845 CCCCQKY C32H51N9O10S4 849.2642 NA PeJP NA NA +PJ052846 SPCCDYY C36H47N7O13S2 849.2673 NA PeJP NA NA +PJ052847 GCDDMFY C36H47N7O13S2 849.2674 NA PeJP NA NA +PJ052848 CCCNDHR C29H47N13O11S3 849.268 NA PeJP NA NA +PJ052849 GGCCCDHR C29H47N13O11S3 849.2681 NA PeJP NA NA +PJ052850 PCCCMFF C37H51N7O8S4 849.2682 NA PeJP NA NA +PJ052851 PDDDEEM C32H47N7O18S 849.2699 NA PeJP NA NA +PJ052852 SSCEMMY C33H51N7O13S3 849.2707 NA PeJP NA NA +PJ052853 GCMMMMF C34H55N7O8S5 849.2716 NA PeJP NA NA +PJ052854 GCCNMHW C34H47N11O9S3 849.2721 NA PeJP NA NA +PJ052855 GSNNNDDD C29H43N11O19 849.2737 NA PeJP NA NA +PJ052856 GSSCNDMH C30H47N11O14S2 849.2746 NA PeJP NA NA +PJ052857 GPCCCCKH C31H51N11O9S4 849.2755 NA PeJP NA NA +PJ052858 GNDDDEW C34H43N9O17 849.2777 NA PeJP NA NA +PJ052859 GCCNQYY C35H47N9O12S2 849.2786 NA PeJP NA NA +PJ052860 GSPNDDDM C31H47N9O17S 849.2811 NA PeJP NA NA +PJ052861 GSSCCCKY C32H51N9O12S3 849.282 NA PeJP NA NA +PJ052862 SCDDHHH C32H43N13O13S 849.2824 NA PeJP NA NA +PJ052863 CCEFYW C40H47N7O10S2 849.2826 NA PeJP NA NA +PJ052864 GSDDMYY C36H47N7O15S 849.2851 NA PeJP NA NA +PJ052865 APCCMYY C37H51N7O10S3 849.286 NA PeJP NA NA +PJ052866 GEEEEEE C32H47N7O20 849.2876 NA PeJP NA NA +PJ052867 PDDDDHH C33H43N11O16 849.289 NA PeJP NA NA +PJ052868 ATCMMMY C34H55N7O10S4 849.2893 NA PeJP NA NA +PJ052869 GSMMMMY C34H55N7O10S4 849.2894 NA PeJP NA NA +PJ052870 SSCCQHW C34H47N11O11S2 849.2898 NA PeJP NA NA +PJ052871 GGGGGGPCCW C34H47N11O11S2 849.2899 NA PeJP NA NA +PJ052872 SSSSCNEH C30H47N11O16S 849.2923 NA PeJP NA NA +PJ052873 GGGGGGNDEM C30H47N11O16S 849.2924 NA PeJP NA NA +PJ052874 NDDDWW C38H43N9O14 849.293 NA PeJP NA NA +PJ052875 GPPCCCDR C31H51N11O11S3 849.2932 NA PeJP NA NA +PJ052876 SPCNDEW C35H47N9O14S 849.2963 NA PeJP NA NA +PJ052877 GGSPCDEW C35H47N9O14S 849.2964 NA PeJP NA NA +PJ052878 DMMMHW C36H51N9O9S3 849.2972 NA PeJP NA NA +PJ052879 SNNEEEE C31H47N9O19 849.2988 NA PeJP NA NA +PJ052880 GGSNEEEE C31H47N9O19 849.2989 NA PeJP NA NA +PJ052881 SSEEMMH C32H51N9O14S2 849.2997 NA PeJP NA NA +PJ052882 SCEYYW C40H47N7O12S 849.3004 NA PeJP NA NA +PJ052883 CCCCKKY C33H55N9O9S4 849.3006 NA PeJP NA NA +PJ052884 GCEMHHH C33H47N13O10S2 849.3011 NA PeJP NA NA +PJ052885 EEEEEW C36H47N7O17 849.3029 NA PeJP NA NA +PJ052886 CNNNDDR C29H47N13O15S 849.3036 NA PeJP NA NA +PJ052887 NEMMYY C37H51N7O12S2 849.3037 NA PeJP NA NA +PJ052888 SCCNMHR C30H51N13O10S3 849.3044 NA PeJP NA NA +PJ052889 GCCHHFF C38H47N11O8S2 849.3051 NA PeJP NA NA +MJ096139 Perdeacyleuojaponin; 9-(2-Acetoxy-2-methylpropanoyl), 1,6,8,14-tetra-Ac C40H51NO19 849.305528 NA MeJP NA NA +PJ052890 SPEEEEM C33H51N7O17S 849.3062 NA PeJP NA NA +PJ052891 PTDEEEM C33H51N7O17S 849.3063 NA PeJP NA NA +PJ052892 SSTMMMY C34H55N7O12S3 849.3071 NA PeJP NA NA +PJ052893 GSSSSCHW C34H47N11O13S 849.3076 NA PeJP NA NA +PJ052894 ACCCKHW C35H51N11O8S3 849.3085 NA PeJP NA NA +PJ052895 SNDDDER C30H47N11O18 849.3101 NA PeJP NA NA +PJ052896 PCNDDMR C31H51N11O13S2 849.311 NA PeJP NA NA +PJ052897 GSPCDWW C39H47N9O11S 849.3116 NA PeJP NA NA +PJ052898 GSNEEEW C35H47N9O16 849.3141 NA PeJP NA NA +PJ052899 GPNDMMW C36H51N9O11S2 849.315 NA PeJP NA NA +PJ052900 CMHHHW C37H47N13O7S2 849.3163 NA PeJP NA NA +PJ052901 GQQEEEM C32H51N9O16S 849.3175 NA PeJP NA NA +PJ052902 NDEFYY C40H47N7O14 849.3181 NA PeJP NA NA +PJ052903 ATEMMMH C33H55N9O11S3 849.3183 NA PeJP NA NA +PJ052904 VTCEMMH C33H55N9O11S3 849.3184 NA PeJP NA NA +PJ052905 SSDMHHH C33H47N13O12S 849.3188 NA PeJP NA NA +PJ052906 GMMYYW C41H51N7O9S2 849.319 NA PeJP NA NA +PJ052907 SSSNNNNN C29H47N13O17 849.3213 NA PeJP NA NA +PJ052908 GGGGGGGGGGSSS C29H47N13O17 849.3214 NA PeJP NA NA +PJ052909 GSTEMYY C37H51N7O14S 849.3215 NA PeJP NA NA +PJ052910 GSSTCCHR C30H51N13O12S2 849.3222 NA PeJP NA NA +PJ052911 QMMMFY C38H55N7O9S3 849.3224 NA PeJP NA NA +PJ052912 CNNQWW C38H47N11O10S 849.3228 NA PeJP NA NA +PJ052913 GGGGCQWW C38H47N11O10S 849.3229 NA PeJP NA NA +PJ052914 SVEEEEE C33H51N7O19 849.324 NA PeJP NA NA +PJ052915 PVDEEMM C34H55N7O14S2 849.3249 NA PeJP NA NA +PJ052916 SSNNNEW C34H47N11O15 849.3253 NA PeJP NA NA +PJ052917 GSDDDRW C34H47N11O15 849.3254 NA PeJP NA NA +PJ052918 GPCCERW C35H51N11O10S2 849.3262 NA PeJP NA NA +PJ052919 GNDEEMR C31H51N11O15S 849.3287 NA PeJP NA NA +PJ052920 NNNYYY C39H47N9O13 849.3293 NA PeJP NA NA +PJ052921 SNEEWW C39H47N9O13 849.3294 NA PeJP NA NA +PJ052922 GSPPCCMR C32H55N11O10S3 849.3296 NA PeJP NA NA +PJ052923 PCQMWW C40H51N9O8S2 849.3302 NA PeJP NA NA +PJ052924 QQEEMW C36H51N9O13S 849.3327 NA PeJP NA NA +PJ052925 GGAAEEMW C36H51N9O13S 849.3328 NA PeJP NA NA +PJ052926 GDFYYW C44H47N7O11 849.3334 NA PeJP NA NA +PJ052927 CMMFRY C37H55N9O8S3 849.3336 NA PeJP NA NA +PJ052928 GPCNHHW C37H47N13O9S 849.3341 NA PeJP NA NA +PJ052929 SNDKEEE C32H51N9O18 849.3352 NA PeJP NA NA +PJ052930 GGSDKEEE C32H51N9O18 849.3353 NA PeJP NA NA +PJ052931 TTTEMMH C33H55N9O13S2 849.3361 NA PeJP NA NA +PJ052932 NNNNNNF C33H47N13O14 849.3366 NA PeJP NA NA +PJ052933 STMYYW C41H51N7O11S 849.3367 NA PeJP NA NA +PJ052934 GGPMYYY C41H51N7O11S 849.3368 NA PeJP NA NA +PJ052935 GLMMMMH C34H59N9O8S4 849.337 NA PeJP NA NA +PJ052936 ACCNHFR C34H51N13O9S2 849.3374 NA PeJP NA NA +PJ052937 GCCQHFR C34H51N13O9S2 849.3375 NA PeJP NA NA +PJ052938 SSTTEYY C37H51N7O16 849.3392 NA PeJP NA NA +PJ052939 SPPEEEY C37H51N7O16 849.3393 NA PeJP NA NA +PJ052940 SSSSSCHR C30H51N13O14S 849.3399 NA PeJP NA NA +PJ052941 GCDDERR C30H51N13O14S 849.34 NA PeJP NA NA +PJ052942 DKMMYY C38H55N7O11S2 849.3401 NA PeJP NA NA +PJ052943 GSSNNWW C38H47N11O12 849.3406 NA PeJP NA NA +PJ052944 TCCCKHR C31H55N13O9S3 849.3408 NA PeJP NA NA +PJ052945 PCCRWW C39H51N11O7S2 849.3415 NA PeJP NA NA +PJ052946 ALEEEEM C34H55N7O16S 849.3426 NA PeJP NA NA +PJ052947 NDEMRW C35H51N11O12S 849.344 NA PeJP NA NA +PJ052948 GSEWWW C43H47N9O10 849.3446 NA PeJP NA NA +PJ052949 SSNEEER C31H51N11O17 849.3465 NA PeJP NA NA +PJ052950 SPNDMMR C32H55N11O12S2 849.3473 NA PeJP NA NA +PJ052951 GGSPDMMR C32H55N11O12S2 849.3474 NA PeJP NA NA +PJ052952 GNDDHHR C32H47N15O13 849.3478 NA PeJP NA NA +PJ052953 AQEMWW C40H51N9O10S 849.348 NA PeJP NA NA +PJ052954 GSDKEEW C36H51N9O15 849.3505 NA PeJP NA NA +PJ052955 GPTQMMW C37H55N9O10S2 849.3514 NA PeJP NA NA +PJ052956 NQEHHW C37H47N13O11 849.3518 NA PeJP NA NA +PJ052957 GGGAEHHW C37H47N13O11 849.3519 NA PeJP NA NA +PJ052958 GMFFYW C45H51N7O8S 849.352 NA PeJP NA NA +PJ052959 GQKEEEM C33H55N9O15S 849.3539 NA PeJP NA NA +PJ052960 VNEYYY C41H51N7O13 849.3545 NA PeJP NA NA +PJ052961 STLMMMH C34H59N9O10S3 849.3547 NA PeJP NA NA +PJ052962 GGGGPLMMM C34H59N9O10S3 849.3548 NA PeJP NA NA +PJ052963 CDDRRW C34H51N13O11S 849.3552 NA PeJP NA NA +PJ052964 QMMFFF C42H55N7O8S2 849.3554 NA PeJP NA NA +3736 NA YPFGFYG 849.356 ACE inhibitor Inhouse_peptide NA peptide +PJ052965 SSDDDRR C30H51N13O16 849.3577 NA PeJP NA NA +PJ052966 SSSLMYY C38H55N7O13S 849.3579 NA PeJP NA NA +PJ052967 SPCCERR C31H55N13O11S2 849.3586 NA PeJP NA NA +PJ052968 KMMMFY C39H59N7O8S3 849.3588 NA PeJP NA NA +PJ052969 GDMRWW C39H51N11O9S 849.3592 NA PeJP NA NA +PJ052970 SWWWW C47H47N9O7 849.3599 NA PeJP NA NA +PJ052971 TTLEEEE C34H55N7O18 849.3604 NA PeJP NA NA +PJ052972 PTLEEMM C35H59N7O13S2 849.3613 NA PeJP NA NA +PJ052973 GSSEERW C35H51N11O14 849.3617 NA PeJP NA NA +PJ052974 GGGGGGGAPTY C35H51N11O14 849.3618 NA PeJP NA NA +PJ052975 PPLMMMM C36H63N7O8S4 849.3621 NA PeJP NA NA +PJ052976 GPTCMRW C36H55N11O9S2 849.3626 NA PeJP NA NA +PJ052977 GPEHHHH C36H47N15O10 849.3631 NA PeJP NA NA +PJ052978 AAMWWW C44H51N9O7S 849.3632 NA PeJP NA NA +PJ052979 GCLWWW C44H51N9O7S 849.3633 NA PeJP NA NA +PJ052980 GTQEEMR C32H55N11O14S 849.3651 NA PeJP NA NA +PJ052981 TTQEWW C40H51N9O12 849.3657 NA PeJP NA NA +PJ052982 SDKEWW C40H51N9O12 849.3658 NA PeJP NA NA +PJ052983 GPQMMMR C33H59N11O9S3 849.366 NA PeJP NA NA +PJ052984 SPCNHHR C33H51N15O10S 849.3664 NA PeJP NA NA +PJ052985 GGSPCHHR C33H51N15O10S 849.3665 NA PeJP NA NA +PJ052986 PCKMWW C41H55N9O7S2 849.3666 NA PeJP NA NA +PJ052987 GQHHWW C41H47N13O8 849.3671 NA PeJP NA NA +PJ052988 QKEEMW C37H55N9O12S 849.3691 NA PeJP NA NA +PJ052989 GVYYYW C45H51N7O10 849.3698 NA PeJP NA NA +PJ052990 AAMHHHF C38H51N13O8S 849.3705 NA PeJP NA NA +PJ052991 STQKEEE C33H55N9O17 849.3716 NA PeJP NA NA +PJ052992 SPQKEMM C34H59N9O12S2 849.3725 NA PeJP NA NA +PJ052993 SSSNNRW C34H51N13O13 849.373 NA PeJP NA NA +PJ052994 VQMFYY C42H55N7O10S 849.3731 NA PeJP NA NA +PJ052995 PPPDMFF C42H55N7O10S 849.3732 NA PeJP NA NA +PJ052996 GCCKHFR C35H55N13O8S2 849.3738 NA PeJP NA NA +PJ052997 TTTTTYY C38H55N7O15 849.3756 NA PeJP NA NA +PJ052998 APLEEEY C38H55N7O15 849.3757 NA PeJP NA NA +PJ052999 GSDEMRR C31H55N13O13S 849.3763 NA PeJP NA NA +PJ053000 GGGGGGTTMR C31H55N13O13S 849.3764 NA PeJP NA NA +PJ053001 PPVEMMF C39H59N7O10S2 849.3765 NA PeJP NA NA +PJ053002 SSERWW C39H51N11O11 849.377 NA PeJP NA NA +PJ053003 GPCMMRR C32H59N13O8S3 849.3772 NA PeJP NA NA +PJ053004 PHHHHW C40H47N15O7 849.3783 NA PeJP NA NA +PJ053005 SLLEEEM C35H59N7O15S 849.379 NA PeJP NA NA +PJ053006 PVLEMMM C36H63N7O10S3 849.3799 NA PeJP NA NA +PJ053007 TQEMRW C36H55N11O11S 849.3804 NA PeJP NA NA +PJ053008 ATTWWW C44H51N9O9 849.381 NA PeJP NA NA +PJ053009 STTQEER C32H55N11O16 849.3828 NA PeJP NA NA +PJ053010 SSDKEER C32H55N11O16 849.3829 NA PeJP NA NA +PJ053011 GVQEMMR C33H59N11O11S2 849.3837 NA PeJP NA NA +PJ053012 GGGGGGVKMM C33H59N11O11S2 849.3838 NA PeJP NA NA +PJ053013 GSQEHHR C33H51N15O12 849.3842 NA PeJP NA NA +PJ053014 AKEMWW C41H55N9O9S 849.3844 NA PeJP NA NA +PJ053015 GFFFFW C49H51N7O7 849.385 NA PeJP NA NA +PJ053016 GTTKEEW C37H55N9O14 849.3869 NA PeJP NA NA +PJ053017 SSCNQRR C30H55N15O12S 849.3876 NA PeJP NA NA +PJ053018 GPTKMMW C38H59N9O9S2 849.3877 NA PeJP NA NA +PJ053019 ASPKMMW C38H59N9O9S2 849.3878 NA PeJP NA NA +PJ053020 NNNFRW C38H51N13O10 849.3882 NA PeJP NA NA +PJ053021 TTLQQEM C34H59N9O14S 849.3902 NA PeJP NA NA +PJ053022 GKKEEEM C34H59N9O14S 849.3903 NA PeJP NA NA +PJ053023 VDKYYY C42H55N7O12 849.3909 NA PeJP NA NA +PJ053024 PVNKMMM C35H63N9O9S3 849.3911 NA PeJP NA NA +PJ053025 SDMRRW C35H55N13O10S 849.3916 NA PeJP NA NA +PJ053026 KMMFFF C43H59N7O7S2 849.3918 NA PeJP NA NA +PJ053027 PPQHWW C43H51N11O8 849.3922 NA PeJP NA NA +PJ053028 SSSEERR C31H55N13O15 849.3941 NA PeJP NA NA +PJ053029 PPTLEMY C39H59N7O12S 849.3943 NA PeJP NA NA +PJ053030 QEMMRR C32H59N13O10S2 849.395 NA PeJP NA NA +PJ053031 ATMRWW C40H55N11O8S 849.3956 NA PeJP NA NA +PJ053032 VVLEEMM C36H63N7O12S2 849.3976 NA PeJP NA NA +PJ053033 CLLLEEM C36H63N7O12S2 849.3977 NA PeJP NA NA +PJ053034 GTTTERW C36H55N11O13 849.3981 NA PeJP NA NA +PJ053035 VQMMRW C37H59N11O8S2 849.399 NA PeJP NA NA +PJ053036 SQHHRW C37H51N15O9 849.3995 NA PeJP NA NA +3080 hemorphin-6 YPWTQR 849.4 celiac toxic Inhouse_peptide NA peptide +3403 ACE inhibitor YPWTQR 849.4 ACE inhibitor Inhouse_peptide NA peptide +PJ053037 GTKEEMR C33H59N11O13S 849.4015 NA PeJP NA NA +PJ053038 TTKEWW C41H55N9O11 849.4021 NA PeJP NA NA +PJ053039 GGAALEFW C41H55N9O11 849.4022 NA PeJP NA NA +PJ053040 GPKMMMR C34H63N11O8S3 849.4024 NA PeJP NA NA +PJ053041 AAQMHHR C34H55N15O9S 849.4028 NA PeJP NA NA +PJ053042 GKHHWW C42H51N13O7 849.4035 NA PeJP NA NA +PJ053043 GSSSSNRR C30H55N15O14 849.4053 NA PeJP NA NA +PJ053044 KKEEMW C38H59N9O11S 849.4055 NA PeJP NA NA +PJ053045 VQFFFY C46H55N7O9 849.4062 NA PeJP NA NA +PJ053046 STKKEEE C34H59N9O16 849.408 NA PeJP NA NA +PJ053047 SPKKEMM C35H63N9O11S2 849.4089 NA PeJP NA NA +PJ053048 QQQQRY C35H55N13O12 849.4093 NA PeJP NA NA +PJ053049 GSPDRRY C35H55N13O12 849.4094 NA PeJP NA NA +PJ053050 VKMFYY C43H59N7O9S 849.4095 NA PeJP NA NA +PJ053051 AMMRRW C36H59N13O7S2 849.4102 NA PeJP NA NA +PJ053052 SPLLEEY C39H59N7O14 849.412 NA PeJP NA NA +PJ053053 GTTEMRR C32H59N13O12S 849.4127 NA PeJP NA NA +PJ053054 PPVLMMY C40H63N7O9S2 849.4129 NA PeJP NA NA +PJ053055 TTTRWW C40H55N11O10 849.4134 NA PeJP NA NA +PJ053056 NMHHRR C33H55N17O8S 849.4141 NA PeJP NA NA +PJ053057 TKEMRW C37H59N11O10S 849.4167 NA PeJP NA NA +PJ053058 GGGSKKMW C37H59N11O10S 849.4168 NA PeJP NA NA +PJ053059 APKYWW C45H55N9O8 849.4174 NA PeJP NA NA +PJ053060 STTKEER C33H59N11O15 849.4192 NA PeJP NA NA +PJ053061 GGGSSTKKE C33H59N11O15 849.4193 NA PeJP NA NA +PJ053062 GVKEMMR C34H63N11O10S2 849.4201 NA PeJP NA NA +PJ053063 NNQRRY C34H55N15O11 849.4206 NA PeJP NA NA +PJ053064 SLKMWW C42H59N9O8S 849.4208 NA PeJP NA NA +PJ053065 SSTLKEW C38H59N9O13 849.4233 NA PeJP NA NA +PJ053066 SSCNKRR C31H59N15O11S 849.4239 NA PeJP NA NA +PJ053067 GGSSCKRR C31H59N15O11S 849.424 NA PeJP NA NA +PJ053068 AALKMMW C39H63N9O8S2 849.4241 NA PeJP NA NA +PJ053069 GEFRRW C39H55N13O9 849.4246 NA PeJP NA NA +PJ053070 SVKKEEM C35H63N9O13S 849.4266 NA PeJP NA NA +PJ053071 TLKYYY C43H59N7O11 849.4273 NA PeJP NA NA +PJ053072 PCLKKMM C36H67N9O8S3 849.4275 NA PeJP NA NA +PJ053073 TTMRRW C36H59N13O9S 849.428 NA PeJP NA NA +PJ053074 GVFRWW C44H55N11O7 849.4286 NA PeJP NA NA +PJ053075 STTTERR C32H59N13O14 849.4305 NA PeJP NA NA +PJ053076 PVVLEMY C40H63N7O11S 849.4307 NA PeJP NA NA +PJ053077 SVVCMRR C33H63N13O9S2 849.4313 NA PeJP NA NA +PJ053078 KEMMRR C33H63N13O9S2 849.4314 NA PeJP NA NA +PJ053079 GSTHHRR C33H55N17O10 849.4318 NA PeJP NA NA +PJ053080 LMHFFR C41H59N11O7S 849.432 NA PeJP NA NA +PJ053081 TLLLEMM C37H67N7O11S2 849.434 NA PeJP NA NA +PJ053082 SSTTLRW C37H59N11O12 849.4345 NA PeJP NA NA +PJ053083 VKMMRW C38H63N11O7S2 849.4354 NA PeJP NA NA +PJ053084 SKHHRW C38H55N15O8 849.4358 NA PeJP NA NA +PJ053085 GLLHHHH C38H55N15O8 849.4359 NA PeJP NA NA +PJ053086 SSLKEMR C34H63N11O12S 849.4379 NA PeJP NA NA +PJ053087 PKKEYW C42H59N9O10 849.4385 NA PeJP NA NA +PJ053088 PCRRRY C35H59N15O8S 849.4392 NA PeJP NA NA +PJ053089 FRRWW C43H55N13O6 849.4399 NA PeJP NA NA +PJ053090 ATTLKMW C39H63N9O10S 849.4419 NA PeJP NA NA +PJ053091 VKFFFY C47H59N7O8 849.4425 NA PeJP NA NA +PJ053092 TMMRRR C32H63N15O8S2 849.4426 NA PeJP NA NA +PJ053093 SSSSLLKE C35H63N9O15 849.4444 NA PeJP NA NA +PJ053094 ALKKEMM C36H67N9O10S2 849.4453 NA PeJP NA NA +PJ053095 VQERRY C36H59N13O11 849.4457 NA PeJP NA NA +PJ053096 GGGGGVKRY C36H59N13O11 849.4458 NA PeJP NA NA +PJ053097 PPVLMFF C44H63N7O8S 849.4459 NA PeJP NA NA +PJ053098 ALLLEEY C40H63N7O13 849.4484 NA PeJP NA NA +PJ053099 SSTLMRR C33H63N13O11S 849.4491 NA PeJP NA NA +PJ053100 PVLLMMF C41H67N7O8S2 849.4493 NA PeJP NA NA +MJ096140 GDPFLRF amide C41H59N11O9 849.449722 NA MeJP NA NA +PJ053101 PTKRYW C41H59N11O9 849.4498 NA PeJP NA NA +PJ053102 VLLLMMM C38H71N7O8S3 849.4527 NA PeJP NA NA +PJ053103 GTCKKKW C38H63N11O9S 849.4531 NA PeJP NA NA +PJ053104 ALKFWW C46H59N9O7 849.4538 NA PeJP NA NA +PJ053105 SSSSTLLR C34H63N11O14 849.4556 NA PeJP NA NA +PJ053106 ATLKMMR C35H67N11O9S2 849.4565 NA PeJP NA NA +PJ053107 AERRRY C35H59N15O10 849.457 NA PeJP NA NA +PJ053108 TTTTLKW C39H63N9O12 849.4596 NA PeJP NA NA +PJ053109 VVVNKEY C39H63N9O12 849.4597 NA PeJP NA NA +PJ053110 GLRRYW C40H59N13O8 849.461 NA PeJP NA NA +PJ053111 TTLKKEM C36H67N9O12S 849.463 NA PeJP NA NA +PJ053112 PPVVLYY C44H63N7O10 849.4637 NA PeJP NA NA +PJ053113 PKMRRY C37H63N13O8S 849.4644 NA PeJP NA NA +PJ053114 GSSSTKKR C33H63N13O13 849.4669 NA PeJP NA NA +PJ053115 PTLLLMY C41H67N7O10S 849.467 NA PeJP NA NA +PJ053116 VVLLEMF C41H67N7O10S 849.4671 NA PeJP NA NA +PJ053117 GCKKKMR C34H67N13O8S2 849.4677 NA PeJP NA NA +PJ053118 PEHRRR C34H59N17O9 849.4682 NA PeJP NA NA +PJ053119 SSSKKKW C38H63N11O11 849.4709 NA PeJP NA NA +PJ053120 PVHRRW C39H59N15O7 849.4722 NA PeJP NA NA +PJ053121 TTTLKMR C35H67N11O11S 849.4743 NA PeJP NA NA +PJ053122 LLQKYW C43H63N9O9 849.4749 NA PeJP NA NA +PJ053123 CLFRRR C36H63N15O7S 849.4756 NA PeJP NA NA +PJ053124 APLKKMY C40H67N9O9S 849.4783 NA PeJP NA NA +PJ053125 SSTTTLLK C36H67N9O14 849.4808 NA PeJP NA NA +PJ053126 SLLKKMM C37H71N9O9S2 849.4817 NA PeJP NA NA +PJ053127 VKERRY C37H63N13O10 849.4821 NA PeJP NA NA +PJ053128 SLLLLEY C41H67N7O12 849.4848 NA PeJP NA NA +PJ053129 STCKKKR C34H67N13O10S 849.4855 NA PeJP NA NA +PJ053130 VVKRYW C42H63N11O8 849.4861 NA PeJP NA NA +PJ053131 PPPVVRW C42H63N11O8 849.4862 NA PeJP NA NA +PJ053132 GVLKMFR C39H67N11O8S 849.4895 NA PeJP NA NA +PJ053133 GSTTTKKK C35H67N11O13 849.492 NA PeJP NA NA +PJ053134 GKKKKMM C36H71N11O8S2 849.4929 NA PeJP NA NA +PJ053135 SLRRRY C36H63N15O9 849.4934 NA PeJP NA NA +PJ053136 GLLKKEY C40H67N9O11 849.496 NA PeJP NA NA +PJ053137 GPPPLLKE C40H67N9O11 849.4961 NA PeJP NA NA +PJ053138 PKFFRR C41H63N13O7 849.4974 NA PeJP NA NA +PJ053139 PVVLLFY C45H67N7O9 849.5001 NA PeJP NA NA +PJ053140 LKMFRR C38H67N13O7S 849.5008 NA PeJP NA NA +PJ053141 VVLLLMY C42H71N7O9S 849.5034 NA PeJP NA NA +PJ053142 GTLLKRY C39H67N11O10 849.5073 NA PeJP NA NA +PJ053143 STKKKKM C36H71N11O10S 849.5106 NA PeJP NA NA +PJ053144 LLKKYW C44H67N9O8 849.5113 NA PeJP NA NA +PJ053145 ALLKKMF C41H71N9O8S 849.5147 NA PeJP NA NA +PJ053146 QKKKRY C38H67N13O9 849.5185 NA PeJP NA NA +MJ096141 Tolytoxin C46H75NO13 849.523841 NA MeJP NA NA +PJ053147 AVVLHRR C37H67N15O8 849.5297 NA PeJP NA NA +PJ053148 GVLLHRR C37H67N15O8 849.5298 NA PeJP NA NA +PJ053149 SVLLKKY C41H71N9O10 849.5324 NA PeJP NA NA +PJ053150 VVLLLFF C46H71N7O8 849.5364 NA PeJP NA NA +PJ053151 LLHRRR C36H67N17O7 849.541 NA PeJP NA NA +PJ053152 GVKKKKY C40H71N11O9 849.5437 NA PeJP NA NA +EUR1012 PC 38:7 [M+FA-H]- C46H78NO8P 849.551387 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1012 PC 38:7 [M+FA-H]- C46H78NO8P 849.551387 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1012 PC 38:7 [M+FA-H]- C46H78NO8P 849.551387 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1012 PC 38:7 [M+FA-H]- C46H78NO8P 849.551387 masses lipides attendues Inhousejuil11 NA NA +PJ053153 KKKKRY C39H71N13O8 849.5549 NA PeJP NA NA +PJ053154 GPPLLLLK C42H75N9O9 849.5688 NA PeJP NA NA +PJ053155 VLLLKKH C41H75N11O8 849.5801 NA PeJP NA NA +HMDB09410 PE(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)) C49H88NO8P 849.624756 NA HMDB2010 NA NA +HMDB09443 PE(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)) C49H88NO8P 849.624756 NA HMDB2010 NA NA +HMDB09475 PE(20:5(5Z,8Z,11Z,14Z,17Z)/24:0) C49H88NO8P 849.624756 NA HMDB2010 NA NA +HMDB09505 PE(22:0/22:5(4Z,7Z,10Z,13Z,16Z)) C49H88NO8P 849.624756 NA HMDB2010 NA NA +HMDB09506 PE(22:0/22:5(7Z,10Z,13Z,16Z,19Z)) C49H88NO8P 849.624756 NA HMDB2010 NA NA +HMDB09537 PE(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)) C49H88NO8P 849.624756 NA HMDB2010 NA NA +HMDB09600 PE(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)) C49H88NO8P 849.624756 NA HMDB2010 NA NA +HMDB09633 PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:0) C49H88NO8P 849.624756 NA HMDB2010 NA NA +HMDB09666 PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:0) C49H88NO8P 849.624756 NA HMDB2010 NA NA +HMDB09731 PE(24:0/20:5(5Z,8Z,11Z,14Z,17Z)) C49H88NO8P 849.624756 NA HMDB2010 NA NA +HMDB09762 PE(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)) C49H88NO8P 849.624756 NA HMDB2010 NA NA +HMDB09763 PE(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)) C49H88NO8P 849.624756 NA HMDB2010 NA NA +HMDB13451 PC(o-22:1(13Z)/20:4(8Z,11Z,14Z,17Z)) C50H92NO7P 849.661133 NA HMDB2010 NA NA +PJ053156 SCCCCCDD C26H42N8O14S5 850.1424 NA PeJP NA NA +PJ053157 GCCCCCEM C27H46N8O11S6 850.1611 NA PeJP NA NA +PJ053158 CCCCCMW C31H46N8O8S6 850.1763 NA PeJP NA NA +PJ053159 SSCCCCDM C27H46N8O13S5 850.1788 NA PeJP NA NA +PJ053160 GPCCCCCY C31H46N8O10S5 850.1941 NA PeJP NA NA +PJ053161 GTCCCCMM C28H50N8O10S6 850.1975 NA PeJP NA NA +PJ053162 CCCNDMY C31H46N8O12S4 850.2118 NA PeJP NA NA +PJ053163 SSSCCCMM C28H50N8O12S5 850.2152 NA PeJP NA NA +PJ053164 GSCCDDDH C29H42N10O16S2 850.2222 NA PeJP NA NA +PJ053165 GPCCCCEH C30H46N10O11S4 850.2231 NA PeJP NA NA +PJ053166 ACCCCYW C35H46N8O9S4 850.2271 NA PeJP NA NA +PJ053167 GPCDDDDD C30H42N8O19S 850.2287 NA PeJP NA NA +PJ053168 GSSCCCEY C31H46N8O14S3 850.2296 NA PeJP NA NA +PJ053169 CCCNMMF C32H50N8O9S5 850.2305 NA PeJP NA NA +PJ053170 PCCCCHW C34H46N10O8S4 850.2383 NA PeJP NA NA +PJ053171 CCNDEMH C30H46N10O13S3 850.2408 NA PeJP NA NA +PJ053172 SSCCCYW C35H46N8O11S3 850.2448 NA PeJP NA NA +PJ053173 CCCNDFF C35H46N8O11S3 850.2449 NA PeJP NA NA +PJ053174 NDDDDEE C30H42N8O21 850.2465 NA PeJP NA NA +PJ053175 SSSSCCDY C31H46N8O16S2 850.2473 NA PeJP NA NA +PJ053176 SPPCCDDD C31H46N8O16S2 850.2474 NA PeJP NA NA +PJ053177 SCCNMMY C32H50N8O11S4 850.2482 NA PeJP NA NA +PJ053178 CCCDDHR C29H46N12O12S3 850.2521 NA PeJP NA NA +PJ053179 GCCDMHW C34H46N10O10S3 850.2561 NA PeJP NA NA +PJ053180 GSNNDDDD C29H42N10O20 850.2577 NA PeJP NA NA +PJ053181 GSSCDDMH C30H46N10O15S2 850.2586 NA PeJP NA NA +PJ053182 TCCCCRY C31H50N10O10S4 850.2595 NA PeJP NA NA +PJ053183 GDDDDEW C34H42N8O18 850.2617 NA PeJP NA NA +PJ053184 GCCNEYY C35H46N8O13S2 850.2626 NA PeJP NA NA +PJ053185 GSPDDDDM C31H46N8O18S 850.2651 NA PeJP NA NA +PJ053186 GSSTCCMY C32H50N8O13S3 850.266 NA PeJP NA NA +PJ053187 SSSCCNNH C29H46N12O14S2 850.2698 NA PeJP NA NA +PJ053188 SSCCEHW C34H46N10O12S2 850.2738 NA PeJP NA NA +PJ053189 GGPCCNDW C34H46N10O12S2 850.2739 NA PeJP NA NA +PJ053190 SSSSCDEH C30H46N10O17S 850.2763 NA PeJP NA NA +PJ053191 GGNNDDEM C30H46N10O17S 850.2764 NA PeJP NA NA +PJ053192 DDDDWW C38H42N8O15 850.277 NA PeJP NA NA +PJ053193 SCNEMMH C31H50N10O12S3 850.2772 NA PeJP NA NA +PJ053194 CCNYYW C39H46N8O10S2 850.2779 NA PeJP NA NA +PJ053195 SPCDDEW C35H46N8O15S 850.2804 NA PeJP NA NA +PJ053196 PPCCDMW C36H50N8O10S3 850.2812 NA PeJP NA NA +PJ053197 SNDEEEE C31H46N8O20 850.2829 NA PeJP NA NA +PJ053198 SSSSSCMY C32H50N8O15S2 850.2837 NA PeJP NA NA +PJ053199 GGPDDEMM C32H50N8O15S2 850.2838 NA PeJP NA NA +PJ053200 TCCCKMY C33H54N8O10S4 850.2846 NA PeJP NA NA +PJ053201 CCNNNHF C33H46N12O11S2 850.2851 NA PeJP NA NA +PJ053202 CNNDDDR C29H46N12O16S 850.2876 NA PeJP NA NA +PJ053203 DEMMYY C37H50N6O13S2 850.2878 NA PeJP NA NA +PJ053204 SCCDMHR C30H50N12O11S3 850.2884 NA PeJP NA NA +PJ053205 TCCCEHR C30H50N12O11S3 850.2885 NA PeJP NA NA +FL5FABGI0020 Sempervirenoside B C40H50O20 850.28954 131984-67-3 knapsack NA NA +MJ096142 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-xylopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C40H50O20 850.289544 NA MeJP NA NA +C15527 Precorrin 1 C41H46N4O16 850.2909 NA KEGG NA NA +C15528 [Cytochrome c]-arginine C7H13N5O2R2 850.2909 NA KEGG NA NA +C15529 [Cytochrome c]-N(omega)-methylarginine C8H15N5O2R2 850.2909 NA KEGG NA NA +PJ053206 GNNDDMW C34H46N10O14S 850.2916 NA PeJP NA NA +PJ053207 GSCMMHW C35H50N10O9S3 850.2925 NA PeJP NA NA +PJ053208 SDDDDER C30H46N10O19 850.2941 NA PeJP NA NA +PJ053209 PCDDDMR C31H50N10O14S2 850.295 NA PeJP NA NA +PJ053210 GNMMMMH C32H54N10O9S4 850.2958 NA PeJP NA NA +PJ053211 GGGMMMMH C32H54N10O9S4 850.2959 NA PeJP NA NA +PJ053212 SCCQHHH C32H46N14O10S2 850.2963 NA PeJP NA NA +PJ053213 GSDEEEW C35H46N8O17 850.2981 NA PeJP NA NA +PJ053214 GPDDMMW C36H50N8O12S2 850.299 NA PeJP NA NA +PJ053215 GQEEEEM C32H50N8O17S 850.3015 NA PeJP NA NA +PJ053216 DDEFYY C40H46N6O15 850.3021 NA PeJP NA NA +PJ053217 GSPPCEMM C33H54N8O12S3 850.3024 NA PeJP NA NA +PJ053218 SCNNNNW C33H46N12O13S 850.3028 NA PeJP NA NA +PJ053219 GGGGGGSCNW C33H46N12O13S 850.3029 NA PeJP NA NA +PJ053220 SSSNNNND C29H46N12O18 850.3053 NA PeJP NA NA +PJ053221 GGGGGGSSSND C29H46N12O18 850.3054 NA PeJP NA NA +PJ053222 GSPCCNDR C30H50N12O13S2 850.3062 NA PeJP NA NA +PJ053223 EMMMFY C38H54N6O10S3 850.3064 NA PeJP NA NA +PJ053224 CNNEWW C38H46N10O11S 850.3069 NA PeJP NA NA +PJ053225 ACCMMHR C31H54N12O8S4 850.3071 NA PeJP NA NA +PJ053226 SSNNDEW C34H46N10O16 850.3094 NA PeJP NA NA +PJ053227 SSTCMHW C35H50N10O11S2 850.3102 NA PeJP NA NA +PJ053228 GGGGGPPCCF C35H50N10O11S2 850.3103 NA PeJP NA NA +PJ053229 GDDEEMR C31H50N10O16S 850.3127 NA PeJP NA NA +PJ053230 GGGGGGTEEM C31H50N10O16S 850.3128 NA PeJP NA NA +PJ053231 SDEEWW C39H46N8O14 850.3134 NA PeJP NA NA +PJ053232 SSQMMMH C32H54N10O11S3 850.3136 NA PeJP NA NA +PJ053233 GSSSCHHH C32H46N14O12S 850.3141 NA PeJP NA NA +PJ053234 ACCNFFF C40H50N8O9S2 850.3142 NA PeJP NA NA +PJ053235 PCEMWW C40H50N8O9S2 850.3143 NA PeJP NA NA +PJ053236 SSPDEMW C36H50N8O14S 850.3167 NA PeJP NA NA +PJ053237 QEEEMW C36H50N8O14S 850.3168 NA PeJP NA NA +PJ053238 CCNNNQR C29H50N14O12S2 850.3174 NA PeJP NA NA +PJ053239 GGGGGGCCQR C29H50N14O12S2 850.3175 NA PeJP NA NA +PJ053240 SPPCMMW C37H54N8O9S3 850.3176 NA PeJP NA NA +PJ053241 GPCDHHW C37H46N12O10S 850.3181 NA PeJP NA NA +PJ053242 STQEEEE C32H50N8O19 850.3192 NA PeJP NA NA +PJ053243 TTNEEEE C32H50N8O19 850.3193 NA PeJP NA NA +PJ053244 SPQEEMM C33H54N8O14S2 850.3201 NA PeJP NA NA +PJ053245 NNNNNDF C33H46N12O15 850.3206 NA PeJP NA NA +PJ053246 PDMYYY C41H50N6O12S 850.3208 NA PeJP NA NA +PJ053247 PPNMMMM C34H58N8O9S4 850.321 NA PeJP NA NA +PJ053248 GCCEHFR C34H50N12O10S2 850.3215 NA PeJP NA NA +PJ053249 GCNWWW C42H46N10O8S 850.3221 NA PeJP NA NA +PJ053250 SNNDDMR C30H50N12O15S 850.324 NA PeJP NA NA +PJ053251 GSSNDWW C38H46N10O13 850.3246 NA PeJP NA NA +PJ053252 SSCMMHR C31H54N12O10S3 850.3248 NA PeJP NA NA +PJ053253 GGGAPCCMR C31H54N12O10S3 850.3249 NA PeJP NA NA +PJ053254 CQMHFW C39H50N10O8S2 850.3255 NA PeJP NA NA +PJ053255 DDEMRW C35H50N10O13S 850.328 NA PeJP NA NA +PJ053256 GCNHHHF C36H46N14O9S 850.3293 NA PeJP NA NA +PJ053257 SSDEEER C31H50N10O18 850.3305 NA PeJP NA NA +PJ053258 CCLQQQE C32H54N10O13S2 850.3313 NA PeJP NA NA +PJ053259 SPDDMMR C32H54N10O13S2 850.3314 NA PeJP NA NA +PJ053260 GDDDHHR C32H46N14O14 850.3318 NA PeJP NA NA +PJ053261 GGGGGGSEHH C32H46N14O14 850.3319 NA PeJP NA NA +PJ053262 AEEMWW C40H50N8O11S 850.332 NA PeJP NA NA +PJ053263 ACKMMMH C33H58N10O8S4 850.3322 NA PeJP NA NA +PJ053264 SCCKHHH C33H50N14O9S2 850.3327 NA PeJP NA NA +PJ053265 GTTEEEW C36H50N8O16 850.3345 NA PeJP NA NA +PJ053266 GSSCNNNR C29H50N14O14S 850.3352 NA PeJP NA NA +PJ053267 GPTEMMW C37H54N8O11S2 850.3354 NA PeJP NA NA +PJ053268 NEEHHW C37H46N12O12 850.3359 NA PeJP NA NA +PJ053269 PCCCNRR C30H54N14O9S3 850.3361 NA PeJP NA NA +PJ053270 CCHFRW C38H50N12O7S2 850.3367 NA PeJP NA NA +PJ053271 GKEEEEM C33H54N8O16S 850.3379 NA PeJP NA NA +PJ053272 VDEYYY C41H50N6O14 850.3385 NA PeJP NA NA +PJ053273 SSPPVCMM C34H58N8O11S3 850.3387 NA PeJP NA NA +PJ053274 PVNEMMM C34H58N8O11S3 850.3388 NA PeJP NA NA +PJ053275 GSCNERW C34H50N12O12S 850.3392 NA PeJP NA NA +PJ053276 PMMFYY C42H54N6O9S2 850.3394 NA PeJP NA NA +PJ053277 GSSSNDER C30H50N12O17 850.3417 NA PeJP NA NA +PJ053278 GNNEMMR C31H54N12O12S2 850.3426 NA PeJP NA NA +PJ053279 LMMMYY C39H58N6O9S3 850.3428 NA PeJP NA NA +PJ053280 SNQMWW C39H50N10O10S 850.3432 NA PeJP NA NA +PJ053281 GGGGTMWW C39H50N10O10S 850.3433 NA PeJP NA NA +PJ053282 SSSQQEW C35H50N10O15 850.3457 NA PeJP NA NA +PJ053283 GGGGSTTEW C35H50N10O15 850.3458 NA PeJP NA NA +PJ053284 QQQMMW C36H54N10O10S2 850.3466 NA PeJP NA NA +PJ053285 GSNNHHW C36H46N14O11 850.3471 NA PeJP NA NA +PJ053286 PPCYWW C44H50N8O8S 850.3473 NA PeJP NA NA +PJ053287 GTEEEMR C32H54N10O15S 850.3491 NA PeJP NA NA +PJ053288 SQQYYY C40H50N8O13 850.3497 NA PeJP NA NA +PJ053289 TTEEWW C40H50N8O13 850.3498 NA PeJP NA NA +PJ053290 GPEMMMR C33H58N10O10S3 850.35 NA PeJP NA NA +PJ053291 SPCDHHR C33H50N14O11S 850.3505 NA PeJP NA NA +PJ053292 PTMMWW C41H54N8O8S2 850.3506 NA PeJP NA NA +PJ053293 GEHHWW C41H46N12O9 850.3511 NA PeJP NA NA +PJ053294 KEEEMW C37H54N8O13S 850.3531 NA PeJP NA NA +PJ053295 GAAPEEMF C37H54N8O13S 850.3532 NA PeJP NA NA +PJ053296 PDFFYY C45H50N6O11 850.3538 NA PeJP NA NA +PJ053297 GGGGGGCCKR C30H54N14O11S2 850.3539 NA PeJP NA NA +PJ053298 GPVMMMW C38H58N8O8S3 850.354 NA PeJP NA NA +PJ053299 SCNRWW C38H50N12O9S 850.3545 NA PeJP NA NA +PJ053300 STKEEEE C33H54N8O18 850.3556 NA PeJP NA NA +PJ053301 SPKEEMM C34H58N8O13S2 850.3565 NA PeJP NA NA +PJ053302 SSSNDRW C34H50N12O14 850.357 NA PeJP NA NA +PJ053303 VEMFYY C42H54N6O11S 850.3572 NA PeJP NA NA +PJ053304 NNMMRW C35H54N12O9S2 850.3578 NA PeJP NA NA +PJ053305 GGNMMRW C35H54N12O9S2 850.3579 NA PeJP NA NA +PJ053306 SSNQEMR C31H54N12O14S 850.3603 NA PeJP NA NA +PJ053307 GGSSQEMR C31H54N12O14S 850.3604 NA PeJP NA NA +PJ053308 GSSTQWW C39H50N10O12 850.361 NA PeJP NA NA +PJ053309 PCCNKMR C32H58N12O9S3 850.3612 NA PeJP NA NA +PJ053310 GCNQHHR C32H50N16O10S 850.3617 NA PeJP NA NA +PJ053311 CKMHFW C40H54N10O7S2 850.3619 NA PeJP NA NA +MJ096143 Pergidin; 4-Valine analogue C37H55N8O13P 850.36262 NA MeJP NA NA +PJ053312 TEEMRW C36H54N10O12S 850.3644 NA PeJP NA NA +PJ053313 APEYWW C44H50N8O10 850.365 NA PeJP NA NA +PJ053314 PMMMRW C37H58N10O7S3 850.3652 NA PeJP NA NA +PJ053315 HHWWW C45H46N12O6 850.3664 NA PeJP NA NA +PJ053316 STTEEER C32H54N10O17 850.3669 NA PeJP NA NA +PJ053317 GVEEMMR C33H58N10O12S2 850.3677 NA PeJP NA NA +PJ053318 GGAQKEMM C33H58N10O12S2 850.3678 NA PeJP NA NA +PJ053319 GNNNNRY C33H50N14O13 850.3682 NA PeJP NA NA +PJ053320 GGGGGGGGAAPH C33H50N14O13 850.3683 NA PeJP NA NA +PJ053321 SLEMWW C41H54N8O10S 850.3684 NA PeJP NA NA +PJ053322 CCQRRW C34H54N14O8S2 850.3691 NA PeJP NA NA +PJ053323 SSTLEEW C37H54N8O15 850.3709 NA PeJP NA NA +PJ053324 SSCNERR C30H54N14O13S 850.3716 NA PeJP NA NA +PJ053325 AALEMMW C38H58N8O10S2 850.3718 NA PeJP NA NA +PJ053326 NNDFRW C38H50N12O11 850.3722 NA PeJP NA NA +PJ053327 GGGGDFRW C38H50N12O11 850.3723 NA PeJP NA NA +PJ053328 PMFFFY C46H54N6O8S 850.3724 NA PeJP NA NA +PJ053329 HHHHHF C39H46N16O7 850.3736 NA PeJP NA NA +PJ053330 SVKEEEM C34H58N8O15S 850.3743 NA PeJP NA NA +PJ053331 TLEYYY C42H54N6O13 850.3749 NA PeJP NA NA +PJ053332 PVDKMMM C35H62N8O10S3 850.3751 NA PeJP NA NA +PJ053333 GSSQMRW C35H54N12O11S 850.3756 NA PeJP NA NA +PJ053334 LMMFFY C43H58N6O8S2 850.3758 NA PeJP NA NA +PJ053335 GQQFWW C43H50N10O9 850.3763 NA PeJP NA NA +PJ053336 GSSSTQER C31H54N12O16 850.3781 NA PeJP NA NA +PJ053337 EEMMRR C32H58N12O11S2 850.379 NA PeJP NA NA +PJ053338 SSNNHHR C32H50N16O12 850.3794 NA PeJP NA NA +PJ053339 GGSSNHHR C32H50N16O12 850.3795 NA PeJP NA NA +PJ053340 SNKMWW C40H54N10O9S 850.3796 NA PeJP NA NA +PJ053341 SSSQKEW C36H54N10O14 850.3821 NA PeJP NA NA +PJ053342 GGGGGAALEY C36H54N10O14 850.3822 NA PeJP NA NA +PJ053343 VEMMRW C37H58N10O9S2 850.383 NA PeJP NA NA +PJ053344 SEHHRW C37H50N14O10 850.3835 NA PeJP NA NA +PJ053345 PCLFWW C45H54N8O7S 850.3837 NA PeJP NA NA +PJ053346 SSLEEMR C33H58N10O14S 850.3855 NA PeJP NA NA +PJ053347 SPPTTYW C41H54N8O12 850.3861 NA PeJP NA NA +PJ053348 PKEEYW C41H54N8O12 850.3862 NA PeJP NA NA +PJ053349 SPVMMMR C34H62N10O9S3 850.3864 NA PeJP NA NA +PJ053350 GSSCRRW C34H54N14O10S 850.3868 NA PeJP NA NA +PJ053351 GVDMHHR C34H54N14O10S 850.3869 NA PeJP NA NA +PJ053352 VVMMWW C42H58N8O7S2 850.387 NA PeJP NA NA +PJ053353 SVHHWW C42H50N12O8 850.3875 NA PeJP NA NA +PJ053354 GSSSSDRR C30H54N14O15 850.3893 NA PeJP NA NA +PJ053355 ATTLEMW C38H58N8O12S 850.3895 NA PeJP NA NA +PJ053356 PVFYYY C46H54N6O10 850.3902 NA PeJP NA NA +PJ053357 LQMHHW C39H54N12O8S 850.3909 NA PeJP NA NA +PJ053358 SSSSLLEE C34H58N8O17 850.392 NA PeJP NA NA +PJ053359 ALKEEMM C35H62N8O12S2 850.3929 NA PeJP NA NA +PJ053360 SSSTQRW C35H54N12O13 850.3934 NA PeJP NA NA +PJ053361 VLMYYY C43H58N6O10S 850.3935 NA PeJP NA NA +PJ053362 CQKMRW C36H58N12O8S2 850.3942 NA PeJP NA NA +PJ053363 GVQHHHH C36H50N16O9 850.3947 NA PeJP NA NA +PJ053364 SSNKEMR C32H58N12O13S 850.3967 NA PeJP NA NA +PJ053365 GGGGGSTCKK C32H58N12O13S 850.3968 NA PeJP NA NA +PJ053366 GSSTKWW C40H54N10O11 850.3974 NA PeJP NA NA +PJ053367 DMHHRR C33H54N16O9S 850.3981 NA PeJP NA NA +PJ053368 ASTQKMW C37H58N10O11S 850.4007 NA PeJP NA NA +PJ053369 GSDKKMW C37H58N10O11S 850.4008 NA PeJP NA NA +PJ053370 SPLYWW C45H54N8O9 850.4014 NA PeJP NA NA +PJ053371 GTCCRRR C30H58N16O9S2 850.4015 NA PeJP NA NA +PJ053372 CLHHRW C38H54N14O7S 850.4021 NA PeJP NA NA +PJ053373 SSSSVQKE C33H58N10O16 850.4032 NA PeJP NA NA +PJ053374 GSSSKKEE C33H58N10O16 850.4033 NA PeJP NA NA +PJ053375 ATLEMMR C34H62N10O11S2 850.4041 NA PeJP NA NA +PJ053376 NNERRY C34H54N14O12 850.4046 NA PeJP NA NA +PJ053377 AAPLMYW C42H58N8O9S 850.4048 NA PeJP NA NA +PJ053378 PFFFFF C50H54N6O7 850.4054 NA PeJP NA NA +PJ053379 CCKRRW C35H58N14O7S2 850.4055 NA PeJP NA NA +PJ053380 QHHHHR C35H50N18O8 850.4059 NA PeJP NA NA +PJ053381 GAHHHHR C35H50N18O8 850.406 NA PeJP NA NA +PJ053382 TTTTLEW C38H58N8O14 850.4073 NA PeJP NA NA +PJ053383 SSSQMRR C31H58N14O12S 850.408 NA PeJP NA NA +PJ053384 ASLLMMW C39H62N8O9S2 850.4081 NA PeJP NA NA +PJ053385 GTLLMMW C39H62N8O9S2 850.4082 NA PeJP NA NA +PJ053386 AQQRYW C39H54N12O10 850.4086 NA PeJP NA NA +PJ053387 LMFFFF C47H58N6O7S 850.4088 NA PeJP NA NA +PJ053388 SPTTTTLM C35H62N8O14S 850.4106 NA PeJP NA NA +PJ053389 TTLKEEM C35H62N8O14S 850.4107 NA PeJP NA NA +PJ053390 PTLKMMM C36H66N8O9S3 850.4115 NA PeJP NA NA +PJ053391 GSSKMRW C36H58N12O10S 850.412 NA PeJP NA NA +PJ053392 GQKFWW C44H54N10O8 850.4126 NA PeJP NA NA +PJ053393 GGAKFWW C44H54N10O8 850.4127 NA PeJP NA NA +PJ053394 GSSSTKER C32H58N12O15 850.4145 NA PeJP NA NA +PJ053395 GTQKMMR C33H62N12O10S2 850.4154 NA PeJP NA NA +PJ053396 GPNDHRR C33H54N16O11 850.4158 NA PeJP NA NA +PJ053397 GGGPDHRR C33H54N16O11 850.4159 NA PeJP NA NA +PJ053398 TCKKWW C41H58N10O8S 850.416 NA PeJP NA NA +PJ053399 SSSKKEW C37H58N10O13 850.4185 NA PeJP NA NA +3411 ACE inhibitor PPHQIYP 850.419 ACE inhibitor Inhouse_peptide NA peptide +PJ053400 SSSCRRR C30H58N16O11S 850.4192 NA PeJP NA NA +PJ053401 QKKMMW C38H62N10O8S2 850.4194 NA PeJP NA NA +PJ053402 GNRRYW C38H54N14O9 850.4199 NA PeJP NA NA +PJ053403 TTTLEMR C34H62N10O13S 850.4219 NA PeJP NA NA +PJ053404 LLQEYW C42H58N8O11 850.4225 NA PeJP NA NA +PJ053405 GAAPLEFF C42H58N8O11 850.4226 NA PeJP NA NA +PJ053406 GLLMMMR C35H66N10O8S3 850.4228 NA PeJP NA NA +PJ053407 NQMFRR C35H58N14O9S 850.4232 NA PeJP NA NA +PJ053408 PKHHFW C43H54N12O7 850.4239 NA PeJP NA NA +PJ053409 GSSSTTRR C31H58N14O14 850.4257 NA PeJP NA NA +PJ053410 STTLLMW C39H62N8O11S 850.4259 NA PeJP NA NA +PJ053411 VLFFYY C47H58N6O9 850.4266 NA PeJP NA NA +PJ053412 LKMHHW C40H58N12O7S 850.4273 NA PeJP NA NA +PJ053413 SSTTTLLE C35H62N8O16 850.4284 NA PeJP NA NA +PJ053414 SLLKEMM C36H66N8O11S2 850.4293 NA PeJP NA NA +PJ053415 SSSTKRW C36H58N12O12 850.4297 NA PeJP NA NA +PJ053416 VEERRY C36H58N12O12 850.4298 NA PeJP NA NA +PJ053417 CKKMRW C37H62N12O7S2 850.4306 NA PeJP NA NA +PJ053418 APPHHHR C37H54N16O8 850.4311 NA PeJP NA NA +PJ053419 SSDKKMR C33H62N12O12S 850.4331 NA PeJP NA NA +PJ053420 VVERYW C41H58N10O10 850.4338 NA PeJP NA NA +PJ053421 CNFRRR C34H58N16O8S 850.4345 NA PeJP NA NA +MJ096144 Bryostatin 5; Deoxy(?) C44H66O16 850.435086 NA MeJP NA NA +MJ096145 Gitaloxigenin; 3-O-[Acetyl-D-digitoxopyranosyl-(1?4)-D-digitoxopyranosyl-(1?4)-D-digitoxopyranoside] C44H66O16 850.435086 NA MeJP NA NA +C16749 Acetylgitaloxin C44H66O16 850.4351 NA KEGG NA NA +MJ096146 Halichondramide; 33-Me C45H62N4O12 850.436423 NA MeJP NA NA +PJ053422 GTTKKMW C38H62N10O10S 850.4371 NA PeJP NA NA +PJ053423 GGAPKKMY C38H62N10O10S 850.4372 NA PeJP NA NA +PJ053424 ALLYWW C46H58N8O8 850.4378 NA PeJP NA NA +PJ053425 GSTTTKKE C34H62N10O15 850.4396 NA PeJP NA NA +PJ053426 STLLMMR C35H66N10O10S2 850.4405 NA PeJP NA NA +PJ053427 NDKRRY C35H58N14O11 850.441 NA PeJP NA NA +PJ053428 AALLMFW C43H62N8O8S 850.4412 NA PeJP NA NA +PJ053429 KHHHHR C36H54N18O7 850.4423 NA PeJP NA NA +PJ053430 GLLKEEY C39H62N8O13 850.4437 NA PeJP NA NA +PJ053431 SSSKMRR C32H62N14O11S 850.4444 NA PeJP NA NA +PJ053432 PVVKMMF C40H66N8O8S2 850.4445 NA PeJP NA NA +PJ053433 AQKRYW C40H58N12O9 850.445 NA PeJP NA NA +PJ053434 SSSTLLLM C36H66N8O13S 850.447 NA PeJP NA NA +PJ053435 VVLKMMM C37H70N8O8S3 850.4479 NA PeJP NA NA +PJ053436 GPCKKRY C37H62N12O9S 850.4484 NA PeJP NA NA +PJ053437 GKKFWW C45H58N10O7 850.449 NA PeJP NA NA +PJ053438 SSSSSLKR C33H62N12O14 850.4509 NA PeJP NA NA +PJ053439 ASKKMMR C34H66N12O9S2 850.4517 NA PeJP NA NA +PJ053440 GTKKMMR C34H66N12O9S2 850.4518 NA PeJP NA NA +PJ053441 SNRRRY C34H58N16O10 850.4522 NA PeJP NA NA +PJ053442 VLMFRW C42H62N10O7S 850.4524 NA PeJP NA NA +MJ096147 Melanodocin; Me ester C45H70O13S 850.453713 NA MeJP NA NA +PJ053443 STTTKKW C38H62N10O12 850.4549 NA PeJP NA NA +PJ053444 KKKMMW C39H66N10O7S2 850.4558 NA PeJP NA NA +PJ053445 PQKHRW C39H58N14O8 850.4562 NA PeJP NA NA +PJ053446 GAPKHRW C39H58N14O8 850.4563 NA PeJP NA NA +PJ053447 STKKKEM C35H66N10O12S 850.4583 NA PeJP NA NA +PJ053448 LLKEYW C43H62N8O10 850.4589 NA PeJP NA NA +PJ053449 NKMFRR C36H62N14O8S 850.4596 NA PeJP NA NA +PJ053450 SPLLKMY C40H66N8O10S 850.4623 NA PeJP NA NA +PJ053451 TTTTTTLL C36H66N8O15 850.4648 NA PeJP NA NA +PJ053452 QKKERY C37H62N12O11 850.4661 NA PeJP NA NA +PJ053453 GGGGGKKKY C37H62N12O11 850.4662 NA PeJP NA NA +PJ053454 VHHFRR C38H58N16O7 850.4675 NA PeJP NA NA +PJ053455 STTKKMR C34H66N12O11S 850.4695 NA PeJP NA NA +MJ096148 Anabaenopeptin E C42H62N10O9 850.470123 NA MeJP NA NA +MJ096149 Anabaenopeptin F C42H62N10O9 850.470123 NA MeJP NA NA +PJ053456 TLLRYW C42H62N10O9 850.4702 NA PeJP NA NA +MJ096150 Cationomycin C45H70O15 850.471471 NA MeJP NA NA +PJ053457 GVLLMRY C39H66N10O9S 850.4735 NA PeJP NA NA +MJ096151 Phakellistatin 6 C47H62N8O7 850.474146 NA MeJP NA NA +PJ053458 SSSTTLKK C35H66N10O14 850.476 NA PeJP NA NA +PJ053459 SVKKKMM C36H70N10O9S2 850.4769 NA PeJP NA NA +PJ053460 TQKRRY C36H62N14O10 850.4774 NA PeJP NA NA +PJ053461 SVLLKEY C40H66N8O12 850.48 NA PeJP NA NA +PJ053462 SLLLDKY C40H66N8O12 850.4801 NA PeJP NA NA +PJ053463 AKKRYW C41H62N12O8 850.4814 NA PeJP NA NA +PJ053464 LLMRRY C38H66N12O8S 850.4848 NA PeJP NA NA +PJ053465 GPTKHRR C35H62N16O9 850.4886 NA PeJP NA NA +PJ053466 SSLLLRY C39H66N10O11 850.4913 NA PeJP NA NA +MJ096152 Antibiotic CP 64537 C42H74O17 850.4926 NA MeJP NA NA +MJ096153 Antibiotic CP 64593 C42H74O17 850.4926 NA MeJP NA NA +PJ053467 PKKHRW C40H62N14O7 850.4926 NA PeJP NA NA +PJ053468 APLLKFY C44H66N8O9 850.4953 NA PeJP NA NA +PJ053469 ALLLKMY C41H70N8O9S 850.4987 NA PeJP NA NA +PJ053470 VQHRRR C34H62N18O8 850.4998 NA PeJP NA NA +PJ053471 GGLHRRR C34H62N18O8 850.4999 NA PeJP NA NA +PJ053472 KKKERY C38H66N12O10 850.5025 NA PeJP NA NA +PJ053473 VKKKYW C43H66N10O8 850.5065 NA PeJP NA NA +PJ053474 GLLLLHW C43H66N10O8 850.5066 NA PeJP NA NA +MJ096154 Cucurbita-5,24-diene-3,7,16-triol, O7-Me, 16-O-(4,6-di-O-acetyl-?-D-glucopyranoside), 3-O-?-D-xylopyranoside C46H74O14 850.507857 NA MeJP NA NA +MJ096155 Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucuronopyranoside], 6'-butyl ester C46H74O14 850.507857 NA MeJP NA NA +MJ096156 Oleanolic acid bisdesmosides; Diglycosides, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester, 6'-butyl ester C46H74O14 850.507857 NA MeJP NA NA +PJ053475 GLKKKMF C40H70N10O8S 850.5099 NA PeJP NA NA +PJ053476 AHRRRR C33H62N20O7 850.5111 NA PeJP NA NA +PJ053477 TKKRRY C37H66N14O9 850.5138 NA PeJP NA NA +PJ053478 TTLLLKY C41H70N8O11 850.5164 NA PeJP NA NA +PJ053479 GPPLLLLE C41H70N8O11 850.5165 NA PeJP NA NA +PJ053480 LLFFRR C42H66N12O7 850.5178 NA PeJP NA NA +PJ053481 GPPLRRR C36H66N16O8 850.525 NA PeJP NA NA +PJ053482 ATLKKKY C40H70N10O10 850.5277 NA PeJP NA NA +PJ053483 PPLLLLW C45H70N8O8 850.5317 NA PeJP NA NA +PJ053484 VKHRRR C35H66N18O7 850.5362 NA PeJP NA NA +PJ053485 SLLLLHR C39H70N12O9 850.5389 NA PeJP NA NA +MJ096157 Dianemycin; 30-Deoxy C47H78O13 850.544242 NA MeJP NA NA +MJ096158 Lenoremycin C47H78O13 850.544242 NA MeJP NA NA +PJ053486 AVLKKHR C38H70N14O8 850.5501 NA PeJP NA NA +PJ053487 PPVVKRR C38H70N14O8 850.5502 NA PeJP NA NA +PJ053488 SPPVLLLL C42H74N8O10 850.5528 NA PeJP NA NA +PJ053489 GPPVLLKK C41H74N10O9 850.5641 NA PeJP NA NA +PJ053490 PPLLKKR C40H74N12O8 850.5753 NA PeJP NA NA +PJ053491 GPLLLLLL C43H78N8O9 850.5892 NA PeJP NA NA +MJ096159 Huratoxin; 20-Octadecanoyl C52H82O9 850.595884 NA MeJP NA NA +HMDB05436 TG(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C55H94O6 850.705017 NA HMDB2010 NA NA +HMDB10472 TG(18:2(9Z,12Z)/14:0/20:4(5Z,8Z,11Z,14Z))[iso6] C55H94O6 850.705017 NA HMDB2010 NA NA +HMDB10499 TG(18:3(9Z,12Z,15Z)/16:0/18:3(9Z,12Z,15Z))[iso3] C55H94O6 850.705017 NA HMDB2010 NA NA +HMDB05436 TG(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C55H94O6 850.70502 http://www.hmdb.ca/metabolites/HMDB05436 HMDB NA NA +HMDB05436 TG(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C55H94O6 850.70502 HMDB05436 PFEM_hmdb_metabocards_official NA NA +3555 a-hemoglobin (33-46) FLGFPTTKTYFPHF 850.91845 MH2+ Inhouse_peptide NA peptide +C00332 Acetoacetyl-CoA C25H40N7O18P3S 851.1363 NA KEGG NA NA +MJ096160 Acetoacetyl-CoA C25H40N7O18P3S 851.136337 NA MeJP NA NA +MetaCyc04184 3-acetoacetyl-CoA [] C25H40N7O18P3S1 851.136338 NA metacyc NA NA +MetaCyc04185 acetoacetyl-CoA [acetoacetyl-S-CoA;] C25H40N7O18P3S1 851.136338 1420-36-6 metacyc NA NA +MetaCyc04186 OH-crotonyl-CoA [] C25H40N7O18P3S1 851.136338 NA metacyc NA NA +MetaCyc04187 ketobutyryl-CoA [K-butyryl-CoA;ketobutyrylcoenzyme-A;] C25H40N7O18P3S1 851.136338 NA metacyc NA NA +HMDB01484 Acetoacetyl-CoA C25H40N7O18P3S 851.13635 http://www.hmdb.ca/metabolites/HMDB01484 HMDB NA NA +HMDB01484 Acetoacetyl-CoA C25H40N7O18P3S 851.13635 HMDB01484 PFEM_hmdb_metabocards_official NA NA +HMDB01484 Acetoacetyl-CoA C25H40N7O18P3S 851.136353 NA HMDB2010 NA NA +PJ053492 SCCCCCCQ C26H45N9O11S6 851.1563 NA PeJP NA NA +C00888 Pentanoyl-CoA C26H44N7O17P3S 851.1727 NA KEGG NA NA +C00889 Peptidoglycan C26H44N7O17P3S 851.1727 NA KEGG NA NA +C00890 Polyphosphate C26H44N7O17P3S 851.1727 NA KEGG NA NA +C01033 2-Methylbutanoyl-CoA C26H44N7O17P3S 851.1727 NA KEGG NA NA +C02939 3-Methylbutanoyl-CoA C26H44N7O17P3S 851.1727 NA KEGG NA NA +C15980 (S)-2-Methylbutanoyl-CoA C26H44N7O17P3S 851.1727 NA KEGG NA NA +MJ096161 2-Methylbutanoyl-CoA C26H44N7O17P3S 851.172723 NA MeJP NA NA +MJ096162 3-Methylbutanoyl-CoA C26H44N7O17P3S 851.172723 NA MeJP NA NA +MJ096163 Pentanoyl-CoA C26H44N7O17P3S 851.172723 NA MeJP NA NA +MetaCyc04188 pentanoyl-CoA [] C26H44N7O17P3S1 851.172723 NA metacyc NA NA +MetaCyc04189 isovaleryl-CoA [3-methylbutyryl-CoA;3-methylbutanoyl-CoA;isovaleryl-coenzyme A;iso-valeryl-CoA;] C26H44N7O17P3S1 851.172723 6244-91-3 metacyc NA NA +MetaCyc04190 S-2-methyl-butyryl-CoA [2-methylbutyryl-CoA;α-methylbutyryl-CoA;α-methylbutanoyl-CoA;2-methylbutanoyl-CoA;] C26H44N7O17P3S1 851.172723 NA metacyc NA NA +HMDB01041 2-Methylbutyryl-CoA C26H44N7O17P3S 851.172729 NA HMDB2010 NA NA +HMDB01113 Isovaleryl-CoA C26H44N7O17P3S 851.172729 NA HMDB2010 NA NA +HMDB01041 2-Methylbutyryl-CoA C26H44N7O17P3S 851.17273 http://www.hmdb.ca/metabolites/HMDB01041 HMDB NA NA +HMDB01113 Isovaleryl-CoA C26H44N7O17P3S 851.17273 http://www.hmdb.ca/metabolites/HMDB01113 HMDB NA NA +HMDB02191 a-Methylbutyryl-CoA C26H44N7O17P3S 851.17273 http://www.hmdb.ca/metabolites/HMDB02191 HMDB NA NA +HMDB01041 2-Methylbutyryl-CoA C26H44N7O17P3S 851.17273 HMDB01041 PFEM_hmdb_metabocards_official NA NA +HMDB01113 Isovaleryl-CoA C26H44N7O17P3S 851.17273 HMDB01113 PFEM_hmdb_metabocards_official NA NA +HMDB02191 a-Methylbutyryl-CoA C26H44N7O17P3S 851.17273 HMDB02191 PFEM_hmdb_metabocards_official NA NA +PJ053493 GSSSCCCCC C26H45N9O13S5 851.1741 NA PeJP NA NA +PJ053494 GCCCCCNF C30H45N9O10S5 851.1893 NA PeJP NA NA +PJ053495 SCCCCCCK C27H49N9O10S6 851.1927 NA PeJP NA NA +PJ053496 CCCDDMY C31H45N7O13S4 851.1959 NA PeJP NA NA +PJ053497 CCCMMMM C29H53N7O8S7 851.2001 NA PeJP NA NA +PJ053498 GSCCCCNY C30H45N9O12S4 851.2071 NA PeJP NA NA +PJ053499 CCCDMMF C32H49N7O10S5 851.2145 NA PeJP NA NA +PJ053500 CCDDEMH C30H45N9O14S3 851.2249 NA PeJP NA NA +PJ053501 CCCDDFF C35H45N7O12S3 851.2289 NA PeJP NA NA +PJ053502 DDDDDEE C30H41N7O22 851.2305 NA PeJP NA NA +PJ053503 SCCDMMY C32H49N7O12S4 851.2322 NA PeJP NA NA +PJ053504 CCCCHHF C33H45N11O8S4 851.2336 NA PeJP NA NA +PJ053505 GSCCCNEH C29H45N11O13S3 851.2361 NA PeJP NA NA +PJ053506 GSNDDDDD C29H41N9O21 851.2417 NA PeJP NA NA +PJ053507 GGGSDDDDD C29H41N9O21 851.2418 NA PeJP NA NA +PJ053508 GPCCNDDE C30H45N9O16S2 851.2426 NA PeJP NA NA +PJ053509 GCCDEYY C35H45N7O14S2 851.2466 NA PeJP NA NA +PJ053510 ACCMMMY C33H53N7O9S5 851.2509 NA PeJP NA NA +PJ053511 SCCCNHW C33H45N11O10S3 851.2513 NA PeJP NA NA +PJ053512 SSSCCNDH C29H45N11O15S2 851.2538 NA PeJP NA NA +PJ053513 CCNNMMH C30H49N11O10S4 851.2547 NA PeJP NA NA +PJ053514 PCCNDDW C34H45N9O13S2 851.2579 NA PeJP NA NA +PJ053515 NNDDDEM C30H45N9O18S 851.2604 NA PeJP NA NA +PJ053516 SCDEMMH C31H49N9O13S3 851.2612 NA PeJP NA NA +PJ053517 CCDYYW C39H45N7O11S2 851.2619 NA PeJP NA NA +PJ053518 PCCMMMH C32H53N9O8S5 851.2621 NA PeJP NA NA +PJ053519 SSCDDYY C35H45N7O16S 851.2644 NA PeJP NA NA +PJ053520 GCCNNNNN C28H45N13O14S2 851.2651 NA PeJP NA NA +PJ053521 PTCCCYY C36H49N7O11S3 851.2652 NA PeJP NA NA +PJ053522 GCCEMFY C36H49N7O11S3 851.2653 NA PeJP NA NA +PJ053523 CCCCQHR C29H49N13O9S4 851.2659 NA PeJP NA NA +PJ053524 GACCCCHR C29H49N13O9S4 851.266 NA PeJP NA NA +PJ053525 SDDEEEE C31H45N7O21 851.2669 NA PeJP NA NA +PJ053526 PDDDEMM C32H49N7O16S2 851.2678 NA PeJP NA NA +PJ053527 SSCMMMY C33H53N7O11S4 851.2686 NA PeJP NA NA +PJ053528 CCNNDHF C33H45N11O12S2 851.2691 NA PeJP NA NA +PJ053529 CNDDDDR C29H45N11O17S 851.2716 NA PeJP NA NA +PJ053530 GSSCCQMH C30H49N11O12S3 851.2725 NA PeJP NA NA +PJ053531 GNDDDMW C34H45N9O15S 851.2756 NA PeJP NA NA +PJ053532 GSPPCCCW C35H49N9O10S3 851.2765 NA PeJP NA NA +PJ053533 GSSNDDEE C30H45N9O20 851.2781 NA PeJP NA NA +PJ053534 GSPCNDEM C31H49N9O15S2 851.279 NA PeJP NA NA +PJ053535 GDMMMMH C32H53N9O10S4 851.2799 NA PeJP NA NA +PJ053536 SCCEHHH C32H45N13O11S2 851.2803 NA PeJP NA NA +PJ053537 CCMFYW C40H49N7O8S3 851.2805 NA PeJP NA NA +PJ053538 PDDDDEF C35H45N7O18 851.2821 NA PeJP NA NA +PJ053539 GSCEMYY C36H49N7O13S2 851.283 NA PeJP NA NA +PJ053540 GSSCCCHR C29H49N13O11S3 851.2837 NA PeJP NA NA +PJ053541 ACCMMFF C37H53N7O8S4 851.2839 NA PeJP NA NA +PJ053542 GEEEEEM C32H49N7O18S 851.2855 NA PeJP NA NA +PJ053543 SCNNNDW C33H45N11O14S 851.2868 NA PeJP NA NA +PJ053544 GGSCNNDW C33H45N11O14S 851.2869 NA PeJP NA NA +PJ053545 SSSNNNDD C29H45N11O19 851.2893 NA PeJP NA NA +PJ053546 GGSSSNNDD C29H45N11O19 851.2894 NA PeJP NA NA +PJ053547 GSPCCDDR C30H49N11O14S2 851.2902 NA PeJP NA NA +PJ053548 GGGGGGGGDMM C30H49N11O14S2 851.2903 NA PeJP NA NA +PJ053549 CNDEWW C38H45N9O12S 851.2909 NA PeJP NA NA +PJ053550 APPCCCCR C31H53N11O9S4 851.2911 NA PeJP NA NA +PJ053551 SSNDDEW C34H45N9O17 851.2934 NA PeJP NA NA +PJ053552 SPCNDMW C35H49N9O12S2 851.2942 NA PeJP NA NA +PJ053553 GGSPCDMW C35H49N9O12S2 851.2943 NA PeJP NA NA +PJ053554 SNNEEEM C31H49N9O17S 851.2967 NA PeJP NA NA +PJ053555 GGSNEEEM C31H49N9O17S 851.2968 NA PeJP NA NA +PJ053556 NDDYYY C39H45N7O15 851.2974 NA PeJP NA NA +PJ053557 SSEMMMH C32H53N9O12S3 851.2976 NA PeJP NA NA +PJ053558 SCMYYW C40H49N7O10S2 851.2983 NA PeJP NA NA +PJ053559 GCMMHHH C33H49N13O8S3 851.299 NA PeJP NA NA +MJ096164 Perdeacylalatusamine; 2-Benzoyl, 1,6,8,9,14-penta-Ac C43H49NO17 851.300049 NA MeJP NA NA +MJ096165 Perdeacylchuchuhuanine; 1-Benzoyl, 2,6,8,9,14-penta-Ac C43H49NO17 851.300049 NA MeJP NA NA +MJ096166 Perdeacylchuchuhuanine; 2-Benzoyl, 1,6,8,9,14-penta-Ac C43H49NO17 851.300049 NA MeJP NA NA +MJ096167 Perdeacylchuchuhuanine; 8-Epimer, 1-benzoyl, 2,6,8,9,14-penta-Ac C43H49NO17 851.300049 NA MeJP NA NA +PJ053560 SSTCEYY C36H49N7O15S 851.3007 NA PeJP NA NA +PJ053561 EEEEMW C36H49N7O15S 851.3008 NA PeJP NA NA +PJ053562 CCNNNER C29H49N13O13S2 851.3015 NA PeJP NA NA +PJ053563 NMMMYY C37H53N7O10S3 851.3016 NA PeJP NA NA +PJ053564 CCCCKHR C30H53N13O8S4 851.3023 NA PeJP NA NA +PJ053565 STEEEEE C32H49N7O20 851.3033 NA PeJP NA NA +PJ053566 SPEEEMM C33H53N7O15S2 851.3041 NA PeJP NA NA +PJ053567 NNNNDDF C33H45N11O16 851.3046 NA PeJP NA NA +PJ053568 PPDMMMM C34H57N7O10S4 851.305 NA PeJP NA NA +PJ053569 GCNNQMW C34H49N11O11S2 851.3055 NA PeJP NA NA +PJ053570 GCDWWW C42H45N9O9S 851.3061 NA PeJP NA NA +PJ053571 SNDDDMR C30H49N11O16S 851.308 NA PeJP NA NA +PJ053572 GSSDDWW C38H45N9O14 851.3086 NA PeJP NA NA +PJ053573 SSPPCCCR C31H53N11O11S3 851.3088 NA PeJP NA NA +PJ053574 PCCNEMR C31H53N11O11S3 851.3089 NA PeJP NA NA +PJ053575 CNNNNHH C31H45N15O12S 851.3093 NA PeJP NA NA +PJ053576 GGGGGGGGCHH C31H45N15O12S 851.3094 NA PeJP NA NA +PJ053577 GPTCCWW C39H49N9O9S2 851.3095 NA PeJP NA NA +PJ053578 GSNEEMW C35H49N9O14S 851.312 NA PeJP NA NA +PJ053579 GPCQMMW C36H53N9O9S3 851.3129 NA PeJP NA NA +PJ053580 GCDHHHF C36H45N13O10S 851.3133 NA PeJP NA NA +PJ053581 CCFFFW C44H49N7O7S2 851.3135 NA PeJP NA NA +PJ053582 GSSSQEEE C31H49N9O19 851.3145 NA PeJP NA NA +MJ096168 Taxol?; 10-De-Ac, 10-ketone, 7-Ac C47H49NO14 851.315305 NA MeJP NA NA +PJ053583 GQQEEMM C32H53N9O14S2 851.3154 NA PeJP NA NA +PJ053584 SNNDEHH C32H45N13O15 851.3158 NA PeJP NA NA +PJ053585 GGSNDEHH C32H45N13O15 851.3159 NA PeJP NA NA +PJ053586 GSPCYYY C40H49N7O12S 851.316 NA PeJP NA NA +PJ053587 ATMMMMH C33H57N9O9S4 851.3162 NA PeJP NA NA +PJ053588 APPCCCKM C33H57N9O9S4 851.3163 NA PeJP NA NA +PJ053589 GCCNNRW C33H49N13O10S2 851.3167 NA PeJP NA NA +PJ053590 GPEEEEY C36H49N7O17 851.3185 NA PeJP NA NA +PJ053591 GSSCNNDR C29H49N13O15S 851.3192 NA PeJP NA NA +PJ053592 GSTMMYY C37H53N7O12S2 851.3194 NA PeJP NA NA +PJ053593 DEEHHW C37H45N11O13 851.3199 NA PeJP NA NA +PJ053594 PCCCDRR C30H53N13O10S3 851.3201 NA PeJP NA NA +PJ053595 SVEEEEM C33H53N7O17S 851.3219 NA PeJP NA NA +PJ053596 PVDEMMM C34H57N7O12S3 851.3228 NA PeJP NA NA +PJ053597 GSCDERW C34H49N11O13S 851.3232 NA PeJP NA NA +PJ053598 GGGGGGSSMW C34H49N11O13S 851.3233 NA PeJP NA NA +PJ053599 GPCCMRW C35H53N11O8S3 851.3241 NA PeJP NA NA +PJ053600 GSSSDDER C30H49N11O18 851.3257 NA PeJP NA NA +PJ053601 GGGGGGSSSTE C30H49N11O18 851.3258 NA PeJP NA NA +PJ053602 GNDEMMR C31H53N11O13S2 851.3266 NA PeJP NA NA +PJ053603 SSSPCWW C39H49N9O11S 851.3272 NA PeJP NA NA +PJ053604 SNEMWW C39H49N9O11S 851.3273 NA PeJP NA NA +PJ053605 CCCKKMH C32H57N11O8S4 851.3275 NA PeJP NA NA +PJ053606 SSSQEEW C35H49N9O16 851.3297 NA PeJP NA NA +PJ053607 GGSSTEEW C35H49N9O16 851.3298 NA PeJP NA NA +PJ053608 QQEMMW C36H53N9O11S2 851.3306 NA PeJP NA NA +PJ053609 GSNDHHW C36H45N13O12 851.3311 NA PeJP NA NA +PJ053610 ACFYYW C44H49N7O9S 851.3313 NA PeJP NA NA +PJ053611 SNDKEEM C32H53N9O16S 851.3331 NA PeJP NA NA +PJ053612 PEEEYW C40H49N7O14 851.3338 NA PeJP NA NA +PJ053613 TTTMMMH C33H57N9O11S3 851.334 NA PeJP NA NA +PJ053614 GNQEMHH C33H49N13O12S 851.3345 NA PeJP NA NA +PJ053615 NMMFFY C41H53N7O9S2 851.3346 NA PeJP NA NA +PJ053616 GGMMFFY C41H53N7O9S2 851.3347 NA PeJP NA NA +PJ053617 SSTTMYY C37H53N7O14S 851.3371 NA PeJP NA NA +PJ053618 SPPEEMY C37H53N7O14S 851.3372 NA PeJP NA NA +PJ053619 GCDDMRR C30H53N13O12S2 851.3378 NA PeJP NA NA +PJ053620 GGGGSCQMR C30H53N13O12S2 851.3379 NA PeJP NA NA +PJ053621 SCDRWW C38H49N11O10S 851.3385 NA PeJP NA NA +PJ053622 ALEEEMM C34H57N7O14S2 851.3405 NA PeJP NA NA +PJ053623 SSSDDRW C34H49N11O15 851.341 NA PeJP NA NA +PJ053624 NDMMRW C35H53N11O10S2 851.3419 NA PeJP NA NA +PJ053625 GSMWWW C43H49N9O8S 851.3425 NA PeJP NA NA +PJ053626 SSNEEMR C31H53N11O15S 851.3444 NA PeJP NA NA +MJ096169 Pacidamycin 3 C39H49N9O13 851.344982 NA MeJP NA NA +PJ053627 GSSTEWW C39H49N9O13 851.345 NA PeJP NA NA +PJ053628 SPCQMMR C32H57N11O10S3 851.3452 NA PeJP NA NA +PJ053629 GGGPCCCKK C32H57N11O10S3 851.3453 NA PeJP NA NA +PJ053630 GCNEHHR C32H49N15O11S 851.3457 NA PeJP NA NA +PJ053631 AQMMWW C40H53N9O8S2 851.3459 NA PeJP NA NA +PJ053632 GSDKEMW C36H53N9O13S 851.3484 NA PeJP NA NA +PJ053633 GTYYYW C44H49N7O11 851.349 NA PeJP NA NA +PJ053634 SCCNNRR C29H53N15O11S2 851.3491 NA PeJP NA NA +PJ053635 GPCKMMW C37H57N9O8S3 851.3493 NA PeJP NA NA +PJ053636 NQMHHW C37H49N13O9S 851.3497 NA PeJP NA NA +PJ053637 GSSSKEEE C32H53N9O18 851.3509 NA PeJP NA NA +PJ053638 GQKEEMM C33H57N9O13S2 851.3518 NA PeJP NA NA +PJ053639 GNNNDRY C33H49N13O14 851.3522 NA PeJP NA NA +PJ053640 GGGGGGGDRY C33H49N13O14 851.3523 NA PeJP NA NA +PJ053641 VNMYYY C41H53N7O11S 851.3524 NA PeJP NA NA +PJ053642 CCERRW C34H53N13O9S2 851.3531 NA PeJP NA NA +PJ053643 GNNHHHH C34H45N17O10 851.3536 NA PeJP NA NA +PJ053644 SPVEEEY C37H53N7O16 851.3549 NA PeJP NA NA +PJ053645 SSCDERR C30H53N13O14S 851.3556 NA PeJP NA NA +PJ053646 PPVDMMY C38H57N7O11S2 851.3558 NA PeJP NA NA +PJ053647 NNQQYW C38H49N11O12 851.3562 NA PeJP NA NA +PJ053648 GGGGQQYW C38H49N11O12 851.3563 NA PeJP NA NA +PJ053649 SPCCMRR C31H57N13O9S3 851.3565 NA PeJP NA NA +PJ053650 ACMRWW C39H53N11O7S2 851.3571 NA PeJP NA NA +PJ053651 TTLEEEM C34H57N7O16S 851.3583 NA PeJP NA NA +PJ053652 PTLEMMM C35H61N7O11S3 851.3591 NA PeJP NA NA +PJ053653 GSSEMRW C35H53N11O12S 851.3596 NA PeJP NA NA +PJ053654 GGGGGGGGVMF C35H53N11O12S 851.3597 NA PeJP NA NA +PJ053655 SSTWWW C43H49N9O10 851.3603 NA PeJP NA NA +PJ053656 MMMHFR C36H57N11O7S3 851.3605 NA PeJP NA NA +PJ053657 CNHHRW C36H49N15O8S 851.361 NA PeJP NA NA +PJ053658 GSSSTEER C31H53N11O17 851.3621 NA PeJP NA NA +PJ053659 GTQEMMR C32H57N11O12S2 851.363 NA PeJP NA NA +PJ053660 SSNDHHR C32H49N15O13 851.3635 NA PeJP NA NA +PJ053661 SDKMWW C40H53N9O10S 851.3636 NA PeJP NA NA +PJ053662 GGAAPMYW C40H53N9O10S 851.3637 NA PeJP NA NA +PJ053663 SSSKEEW C36H53N9O15 851.3661 NA PeJP NA NA +PJ053664 GGGLQEEY C36H53N9O15 851.3662 NA PeJP NA NA +PJ053665 QKEMMW C37H57N9O10S2 851.367 NA PeJP NA NA +PJ053666 GSTQHHW C37H49N13O11 851.3675 NA PeJP NA NA +PJ053667 NMFFFF C45H53N7O8S 851.3677 NA PeJP NA NA +PJ053668 STQKEEM C33H57N9O15S 851.3695 NA PeJP NA NA +PJ053669 AATTYYY C41H53N7O13 851.3701 NA PeJP NA NA +PJ053670 LEEEFW C41H53N7O13 851.3702 NA PeJP NA NA +PJ053671 SPQKMMM C34H61N9O10S3 851.3704 NA PeJP NA NA +PJ053672 ACNNQFR C34H53N13O11S 851.3708 NA PeJP NA NA +PJ053673 GNNNMFR C34H53N13O11S 851.3709 NA PeJP NA NA +PJ053674 PEHHFW C42H49N11O9 851.3715 NA PeJP NA NA +PJ053675 SSSSSNQR C30H53N13O16 851.3733 NA PeJP NA NA +PJ053676 GGSSSSSQR C30H53N13O16 851.3734 NA PeJP NA NA +PJ053677 APLEEMY C38H57N7O13S 851.3735 NA PeJP NA NA +PJ053678 GSDMMRR C31H57N13O11S2 851.3742 NA PeJP NA NA +PJ053679 PPVMMMF C39H61N7O8S3 851.3744 NA PeJP NA NA +PJ053680 SSMRWW C39H53N11O9S 851.3749 NA PeJP NA NA +PJ053681 QFWWW C47H49N9O7 851.3755 NA PeJP NA NA +PJ053682 SLLEEMM C35H61N7O13S2 851.3769 NA PeJP NA NA +PJ053683 SSSTERW C35H53N11O14 851.3774 NA PeJP NA NA +PJ053684 PVLMMMM C36H65N7O8S4 851.3778 NA PeJP NA NA +PJ053685 TQMMRW C36H57N11O9S2 851.3782 NA PeJP NA NA +PJ053686 GATMMRW C36H57N11O9S2 851.3783 NA PeJP NA NA +PJ053687 GVEHHHH C36H49N15O10 851.3787 NA PeJP NA NA +PJ053688 CLHFFW C44H53N9O7S 851.3789 NA PeJP NA NA +PJ053689 STTQEMR C32H57N11O14S 851.3807 NA PeJP NA NA +PJ053690 SSDKEMR C32H57N11O14S 851.3808 NA PeJP NA NA +PJ053691 SSSSLWW C40H53N9O12 851.3814 NA PeJP NA NA +PJ053692 GVQMMMR C33H61N11O9S3 851.3816 NA PeJP NA NA +PJ053693 GSQMHHR C33H53N15O10S 851.3821 NA PeJP NA NA +PJ053694 AKMMWW C41H57N9O7S2 851.3823 NA PeJP NA NA +PJ053695 QHHHFF C41H49N13O8 851.3827 NA PeJP NA NA +PJ053696 GAHHHFF C41H49N13O8 851.3828 NA PeJP NA NA +PJ053697 GTTKEMW C37H57N9O12S 851.3848 NA PeJP NA NA +PJ053698 VNFFYY C45H53N7O10 851.3854 NA PeJP NA NA +PJ053699 GPPCHRW C38H53N13O8S 851.3861 NA PeJP NA NA +PJ053700 GSTTTKEE C33H57N9O17 851.3873 NA PeJP NA NA +PJ053701 ADKKEMM C34H61N9O12S2 851.3881 NA PeJP NA NA +PJ053702 GKKEEMM C34H61N9O12S2 851.3882 NA PeJP NA NA +PJ053703 NDERRY C34H53N13O13 851.3886 NA PeJP NA NA +PJ053704 CLKYYY C42H57N7O10S 851.3888 NA PeJP NA NA +PJ053705 TCMRRW C35H57N13O8S2 851.3895 NA PeJP NA NA +PJ053706 EHHHHR C35H49N17O9 851.39 NA PeJP NA NA +PJ053707 GLLEEEY C38H57N7O15 851.3913 NA PeJP NA NA +PJ053708 SSSEMRR C31H57N13O13S 851.392 NA PeJP NA NA +PJ053709 PPTLMMY C39H61N7O10S2 851.3922 NA PeJP NA NA +PJ053710 AQERYW C39H53N11O11 851.3926 NA PeJP NA NA +PJ053711 GGGGGAKYW C39H53N11O11 851.3927 NA PeJP NA NA +PJ053712 QMMMRR C32H61N13O8S3 851.3929 NA PeJP NA NA +PJ053713 GSCHHRR C32H53N17O9S 851.3933 NA PeJP NA NA +PJ053714 VHHHHW C40H49N15O7 851.394 NA PeJP NA NA +PJ053715 VVLEMMM C36H65N7O10S3 851.3955 NA PeJP NA NA +PJ053716 GTTTMRW C36H57N11O11S 851.396 NA PeJP NA NA +PJ053717 GLQYWW C44H53N9O9 851.3967 NA PeJP NA NA +PJ053718 SSSSSLER C32H57N11O16 851.3985 NA PeJP NA NA +PJ053719 GTKEMMR C33H61N11O11S2 851.3994 NA PeJP NA NA +PJ053720 SSTQHHR C33H53N15O12 851.3998 NA PeJP NA NA +PJ053721 GPDDHRR C33H53N15O12 851.3999 NA PeJP NA NA +PJ053722 TTKMWW C41H57N9O9S 851.4 NA PeJP NA NA +PJ053723 STTTKEW C37H57N9O14 851.4025 NA PeJP NA NA +PJ053724 GGGPPPLEE C37H57N9O14 851.4026 NA PeJP NA NA +PJ053725 KKEMMW C38H61N9O9S2 851.4034 NA PeJP NA NA +PJ053726 GDRRYW C38H53N13O10 851.4039 NA PeJP NA NA +PJ053727 CMMRRR C31H61N15O7S3 851.4041 NA PeJP NA NA +PJ053728 STKKEEM C34H61N9O14S 851.4059 NA PeJP NA NA +PJ053729 APPLEYY C42H57N7O12 851.4065 NA PeJP NA NA +PJ053730 LLEEYW C42H57N7O12 851.4066 NA PeJP NA NA +PJ053731 SPKKMMM C35H65N9O9S3 851.4068 NA PeJP NA NA +PJ053732 GPTCRRY C35H57N13O10S 851.4072 NA PeJP NA NA +PJ053733 GGEMFRR C35H57N13O10S 851.4073 NA PeJP NA NA +PJ053734 AARYWW C43H53N11O8 851.4079 NA PeJP NA NA +PJ053735 SSSSSNKR C31H57N13O15 851.4097 NA PeJP NA NA +PJ053736 SPLLEMY C39H61N7O12S 851.4099 NA PeJP NA NA +PJ053737 GTTMMRR C32H61N13O10S2 851.4106 NA PeJP NA NA +PJ053738 PCKRYW C40H57N11O8S 851.4113 NA PeJP NA NA +PJ053739 KFWWW C48H53N9O6 851.4119 NA PeJP NA NA +PJ053740 STTTTRW C36H57N11O13 851.4138 NA PeJP NA NA +PJ053741 TKMMRW C37H61N11O8S2 851.4146 NA PeJP NA NA +PJ053742 QQHHFR C37H53N15O9 851.4151 NA PeJP NA NA +PJ053743 STTKEMR C33H61N11O13S 851.4171 NA PeJP NA NA +PJ053744 VQKEYW C41H57N9O11 851.4178 NA PeJP NA NA +PJ053745 GVKMMMR C34H65N11O8S3 851.418 NA PeJP NA NA +PJ053746 CDFRRR C34H57N15O9S 851.4185 NA PeJP NA NA +PJ053747 APHRWW C42H53N13O7 851.4191 NA PeJP NA NA +PJ053748 SSTLKMW C38H61N9O11S 851.4211 NA PeJP NA NA +PJ053749 GPKKEMY C38H61N9O11S 851.4212 NA PeJP NA NA +PJ053750 TKFFFY C46H57N7O9 851.4218 NA PeJP NA NA +PJ053751 GMFRRW C39H57N13O7S 851.4225 NA PeJP NA NA +PJ053752 ATTTTTKE C34H61N9O16 851.4236 NA PeJP NA NA +PJ053753 SSSTTLKE C34H61N9O16 851.4237 NA PeJP NA NA +PJ053754 SVKKEMM C35H65N9O11S2 851.4245 NA PeJP NA NA +PJ053755 TQERRY C35H57N13O12 851.425 NA PeJP NA NA +PJ053756 PPVVMFY C43H61N7O9S 851.4252 NA PeJP NA NA +PJ053757 SVLLEEY C39H61N7O14 851.4277 NA PeJP NA NA +PJ053758 STTTMRR C32H61N13O12S 851.4284 NA PeJP NA NA +PJ053759 PVVLMMY C40H65N7O9S2 851.4286 NA PeJP NA NA +PJ053760 AKERYW C40H57N11O10 851.429 NA PeJP NA NA +PJ053761 KMMMRR C33H65N13O7S3 851.4292 NA PeJP NA NA +PJ053762 TLLLMMM C37H69N7O9S3 851.4319 NA PeJP NA NA +PJ053763 GPTKMRY C37H61N11O10S 851.4324 NA PeJP NA NA +PJ053764 GLKYWW C45H57N9O8 851.433 NA PeJP NA NA +PJ053765 GAPKFFW C45H57N9O8 851.4331 NA PeJP NA NA +PJ053766 SSSTTTLR C33H61N11O15 851.4349 NA PeJP NA NA +PJ053767 SSLKMMR C34H65N11O10S2 851.4358 NA PeJP NA NA +PJ053768 SDRRRY C34H57N15O11 851.4362 NA PeJP NA NA +PJ053769 GGGGSPKHR C34H57N15O11 851.4363 NA PeJP NA NA +PJ053770 PKKMYW C42H61N9O8S 851.4364 NA PeJP NA NA +PJ053771 GVKKEEY C38H61N9O13 851.4389 NA PeJP NA NA +PJ053772 APKKMMF C39H65N9O8S2 851.4398 NA PeJP NA NA +PJ053773 ATRRYW C39H57N13O9 851.4403 NA PeJP NA NA +PJ053774 SSSSLLKM C35H65N9O13S 851.4423 NA PeJP NA NA +PJ053775 SPPLLYY C43H61N7O11 851.4429 NA PeJP NA NA +PJ053776 ALKKMMM C36H69N9O8S3 851.4432 NA PeJP NA NA +PJ053777 VQMRRY C36H61N13O9S 851.4436 NA PeJP NA NA +PJ053778 PVKHWW C44H57N11O7 851.4443 NA PeJP NA NA +PJ053779 ALLLEMY C40H65N7O11S 851.4463 NA PeJP NA NA +PJ053780 SCCKKKR C33H65N13O9S2 851.447 NA PeJP NA NA +PJ053781 QQQHRR C33H57N17O10 851.4475 NA PeJP NA NA +PJ053782 CLKFRW C41H61N11O7S 851.4477 NA PeJP NA NA +PJ053783 ASVKERY C37H61N11O12 851.4501 NA PeJP NA NA +PJ053784 KKEERY C37H61N11O12 851.4502 NA PeJP NA NA +PJ053785 PTHRRW C38H57N15O8 851.4515 NA PeJP NA NA +PJ053786 GSSSKKKM C34H65N11O12S 851.4535 NA PeJP NA NA +PJ053787 VKKEYW C42H61N9O10 851.4542 NA PeJP NA NA +PJ053788 AMRRRY C35H61N15O8S 851.4549 NA PeJP NA NA +PJ053789 SPVKKMY C39H65N9O10S 851.4575 NA PeJP NA NA +PJ053790 GGALLKMY C39H65N9O10S 851.4576 NA PeJP NA NA +PJ053791 PPVVFFF C47H61N7O8 851.4582 NA PeJP NA NA +PJ053792 NNHRRR C32H57N19O9 851.4587 NA PeJP NA NA +PJ053793 STTTTTLK C35H65N9O15 851.46 NA PeJP NA NA +PJ053794 TTLKKMM C36H69N9O10S2 851.4609 NA PeJP NA NA +PJ053795 TKERRY C36H61N13O11 851.4614 NA PeJP NA NA +PJ053796 PVVLMFF C44H65N7O8S 851.4616 NA PeJP NA NA +PJ053797 TTLLLEY C40H65N7O13 851.4641 NA PeJP NA NA +PJ053798 VVLLMMF C41H69N7O8S2 851.4649 NA PeJP NA NA +MJ096170 Helix aspersa Peptide Ha 4 C41H61N11O9 851.465372 NA MeJP NA NA +PJ053799 SLKRYW C41H61N11O9 851.4654 NA PeJP NA NA +PJ053800 PMHRRR C34H61N17O7S 851.4661 NA PeJP NA NA +PJ053801 AALKMRY C38H65N11O9S 851.4688 NA PeJP NA NA +PJ053802 PKKFFW C46H61N9O7 851.4694 NA PeJP NA NA +PJ053803 SSSSTKKK C34H65N11O14 851.4713 NA PeJP NA NA +PJ053804 SCKKKKM C35H69N11O9S2 851.4722 NA PeJP NA NA +PJ053805 TTRRRY C35H61N15O10 851.4726 NA PeJP NA NA +PJ053806 LKKMFW C43H65N9O7S 851.4728 NA PeJP NA NA +PJ053807 ATLKKEY C39H65N9O12 851.4753 NA PeJP NA NA +PJ053808 LLQHRW C40H61N13O8 851.4766 NA PeJP NA NA +PJ053809 GALLHRW C40H61N13O8 851.4767 NA PeJP NA NA +PJ053810 APLLLYY C44H65N7O10 851.4793 NA PeJP NA NA +PJ053811 VKMRRY C37H65N13O8S 851.48 NA PeJP NA NA +MJ096171 Chivosazole E; 2',3'-Di-Me ether C48H69NO12 851.481976 NA MeJP NA NA +C15729 Chivosazole B C48H69NO12 851.482 NA KEGG NA NA +PJ053812 SLLLLMY C41H69N7O10S 851.4827 NA PeJP NA NA +PJ053813 VEHRRR C34H61N17O9 851.4839 NA PeJP NA NA +PJ053814 ATTLKRY C38H65N11O11 851.4865 NA PeJP NA NA +PJ053815 AAPPVLER C38H65N11O11 851.4866 NA PeJP NA NA +PJ053816 VVHRRW C39H61N15O7 851.4879 NA PeJP NA NA +PJ053817 PPVLLQW C43H65N9O9 851.4906 NA PeJP NA NA +PJ053818 GLLKKMY C40H69N9O9S 851.4939 NA PeJP NA NA +PJ053819 PPVVERR C37H65N13O10 851.4978 NA PeJP NA NA +PJ053820 APPLLRW C42H65N11O8 851.5018 NA PeJP NA NA +C10796 alpha-Chaconine C45H73NO14 851.5031 NA KEGG NA NA +MJ096172 Solanidine; O-[?-L-Rhamnopyranosyl-(1?2)-O-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyanoside] C45H73NO14 851.503106 NA MeJP NA NA +MJ096173 Georgamide C46H69N5O10 851.504443 NA MeJP NA NA +PJ053821 ACKKKKF C39H69N11O8S 851.5052 NA PeJP NA NA +PJ053822 GTLLHRR C36H65N15O9 851.509 NA PeJP NA NA +PJ053823 STLLKKY C40H69N9O11 851.5117 NA PeJP NA NA +PJ053824 LLKHRW C41H65N13O7 851.513 NA PeJP NA NA +PJ053825 ALLLLFY C45H69N7O9 851.5157 NA PeJP NA NA +PJ053826 QKKHRR C35H65N17O8 851.5202 NA PeJP NA NA +PJ053827 GAKKHRR C35H65N17O8 851.5203 NA PeJP NA NA +PJ053828 GTKKKKY C39H69N11O10 851.5229 NA PeJP NA NA +PJ053829 AVLKKFF C44H69N9O8 851.5269 NA PeJP NA NA +PJ053830 PPVLLKW C44H69N9O8 851.527 NA PeJP NA NA +PJ053831 LLLLLMH C41H73N9O8S 851.5303 NA PeJP NA NA +PJ053832 PPTLLRR C38H69N13O9 851.5342 NA PeJP NA NA +MJ096174 Scytophycin C; 6?,34-Dihydroxy, 7-Me ether C46H77NO13 851.539491 NA MeJP NA NA +EUR1025 PC 40:8 [M+Na]+ C48H80NO8P 851.544103 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1025 PC 40:8 [M+Na]+ C48H80NO8P 851.544103 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1025 PC 40:8 [M+Na]+ C48H80NO8P 851.544103 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1025 PC 40:8 [M+Na]+ C48H80NO8P 851.544103 masses lipides attendues Inhousejuil11 NA NA +PJ053833 APPKKRR C37H69N15O8 851.5454 NA PeJP NA NA +HMDB08518 PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C50H78NO8P 851.546509 NA HMDB2010 NA NA +HMDB08741 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C50H78NO8P 851.546509 NA HMDB2010 NA NA +PJ053834 APPTLLLK C41H73N9O10 851.5481 NA PeJP NA NA +PJ053835 KKKHRR C36H69N17O7 851.5566 NA PeJP NA NA +PJ053836 PLLLLQR C40H73N11O9 851.5593 NA PeJP NA NA +EUR1007 PC 38:6 [M+FA-H]- C46H80NO8P 851.567037 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1007 PC 38:6 [M+FA-H]- C46H80NO8P 851.567037 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1007 PC 38:6 [M+FA-H]- C46H80NO8P 851.567037 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1007 PC 38:6 [M+FA-H]- C46H80NO8P 851.567037 masses lipides attendues Inhousejuil11 NA NA +PJ053837 PVVLLRR C39H73N13O8 851.5706 NA PeJP NA NA +PJ053838 GPVLLLLK C42H77N9O9 851.5845 NA PeJP NA NA +PJ053839 PLLLLKR C41H77N11O8 851.5957 NA PeJP NA NA +HMDB09344 PE(20:3(5Z,8Z,11Z)/24:1(15Z)) C49H90NO8P 851.640381 NA HMDB2010 NA NA +HMDB09377 PE(20:3(8Z,11Z,14Z)/24:1(15Z)) C49H90NO8P 851.640381 NA HMDB2010 NA NA +HMDB09409 PE(20:4(5Z,8Z,11Z,14Z)/24:0) C49H90NO8P 851.640381 NA HMDB2010 NA NA +HMDB09442 PE(20:4(8Z,11Z,14Z,17Z)/24:0) C49H90NO8P 851.640381 NA HMDB2010 NA NA +HMDB09504 PE(22:0/22:4(7Z,10Z,13Z,16Z)) C49H90NO8P 851.640381 NA HMDB2010 NA NA +HMDB09569 PE(22:2(13Z,16Z)/22:2(13Z,16Z)) C49H90NO8P 851.640381 NA HMDB2010 NA NA +HMDB09599 PE(22:4(7Z,10Z,13Z,16Z)/22:0) C49H90NO8P 851.640381 NA HMDB2010 NA NA +HMDB09729 PE(24:0/20:4(5Z,8Z,11Z,14Z)) C49H90NO8P 851.640381 NA HMDB2010 NA NA +HMDB09730 PE(24:0/20:4(8Z,11Z,14Z,17Z)) C49H90NO8P 851.640381 NA HMDB2010 NA NA +HMDB09760 PE(24:1(15Z)/20:3(5Z,8Z,11Z)) C49H90NO8P 851.640381 NA HMDB2010 NA NA +HMDB09761 PE(24:1(15Z)/20:3(8Z,11Z,14Z)) C49H90NO8P 851.640381 NA HMDB2010 NA NA +HMDB13448 PC(o-22:0/20:4(8Z,11Z,14Z,17Z)) C50H94NO7P 851.676819 NA HMDB2010 NA NA +HMDB13454 PC(o-22:2(13Z,16Z)/20:2(11Z,14Z)) C50H94NO7P 851.676819 NA HMDB2010 NA NA +MJ096175 2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxypentacosanoyl), 1-O-?-D-glucopyranoside C50H93NO9 851.685033 NA MeJP NA NA +HMDB01454 Guanosine tetraphosphate adenosine C20H28N10O20P4 852.04315 http://www.hmdb.ca/metabolites/HMDB01454 HMDB NA NA +HMDB01454 Guanosine tetraphosphate adenosine C20H28N10O20P4 852.04315 HMDB01454 PFEM_hmdb_metabocards_official NA NA +HMDB01454 Guanosine tetraphosphate adenosine C20H28N10O20P4 852.043152 NA HMDB2010 NA NA +MJ096176 Cyclobartramiatriluteolin C45H24O18 852.096263 NA MeJP NA NA +MJ096177 Malonamoyl-CoA C24H39N8O18P3S 852.131586 NA MeJP NA NA +C06625 Malonamoyl-CoA C24H39N8O18P3S 852.1316 NA KEGG NA NA +PJ053840 SCCCCCCE C26H44N8O12S6 852.1403 NA PeJP NA NA +MJ096178 Theaflavate B; 3'-O-(3,4,5-Trihydroxybenzoyl) C43H32O19 852.153778 NA MeJP NA NA +PJ053841 GCCCCCMM C27H48N8O9S7 852.159 NA PeJP NA NA +HMDB12248 L-3-Aminobutyryl-CoA C25H43N8O17P3S 852.167969 NA HMDB2010 NA NA +MetaCyc04191 4-aminobutanoyl-coA [] C25H43N8O17P3S1 852.167972 NA metacyc NA NA +MetaCyc04192 L-3-aminobutyryl-CoA [3-aminobutyryl-CoA;] C25H43N8O17P3S1 852.167972 NA metacyc NA NA +C02801 4-Aminobutanoyl-CoA C25H43N8O17P3S 852.168 NA KEGG NA NA +C05117 3-Aminobutanoyl-CoA C25H43N8O17P3S 852.168 NA KEGG NA NA +C05231 L-3-Aminobutyryl-CoA C25H43N8O17P3S 852.168 NA KEGG NA NA +C05232 (2S)-2-Methylacyl-CoA C24H39N7O17P3SR 852.168 NA KEGG NA NA +C05234 Detyrosinated alpha-tubulin C2H4NO2R 852.168 NA KEGG NA NA +PJ053842 GCCCCCDF C30H44N8O11S5 852.1734 NA PeJP NA NA +PJ053843 STCCCCCM C27H48N8O11S6 852.1767 NA PeJP NA NA +PJ053844 GSCCCCDY C30H44N8O13S4 852.1911 NA PeJP NA NA +PJ053845 CCCCQMY C31H48N8O10S5 852.2097 NA PeJP NA NA +PJ053846 GCCCCNNH C28H44N12O11S4 852.2136 NA PeJP NA NA +PJ053847 GSCCCDEH C29H44N10O14S3 852.2201 NA PeJP NA NA +PJ053848 CCCCCRY C30H48N10O9S5 852.221 NA PeJP NA NA +PJ053849 GSDDDDDD C29H40N8O22 852.2258 NA PeJP NA NA +PJ053850 GPCCDDDE C30H44N8O17S2 852.2266 NA PeJP NA NA +PJ053851 GSSCCCMY C31H48N8O12S4 852.2275 NA PeJP NA NA +PJ053852 SCCCDHW C33H44N10O11S3 852.2354 NA PeJP NA NA +PJ053853 SSSCCDDH C29H44N10O16S2 852.2379 NA PeJP NA NA +PJ053854 CCNDMMH C30H48N10O11S4 852.2387 NA PeJP NA NA +PJ053855 PCCDDDW C34H44N8O14S2 852.2419 NA PeJP NA NA +PJ053856 CCCCQFF C35H48N8O9S4 852.2427 NA PeJP NA NA +PJ053857 GACCCCFF C35H48N8O9S4 852.2428 NA PeJP NA NA +PJ053858 NDDDDEM C30H44N8O19S 852.2444 NA PeJP NA NA +PJ053859 SSSTCCCY C31H48N8O14S3 852.2452 NA PeJP NA NA +PJ053860 SPPCCCDE C31H48N8O14S3 852.2453 NA PeJP NA NA +PJ053861 CCCCKMY C32H52N8O9S5 852.2461 NA PeJP NA NA +PJ053862 GCCNNNND C28H44N12O15S2 852.2491 NA PeJP NA NA +PJ053863 CCCCEHR C29H48N12O10S4 852.25 NA PeJP NA NA +PJ053864 CCNDDHF C33H44N10O13S2 852.2531 NA PeJP NA NA +MJ096179 Rutin; 2''-O-?-D-Xylopyranosyl, 2'''-O-?-L-rhamnopyranosyl C35H48O24 852.253552 NA MeJP NA NA +PJ053865 ACCCMHW C34H48N10O8S4 852.254 NA PeJP NA NA +PJ053866 CDDDDDR C29H44N10O18S 852.2556 NA PeJP NA NA +PJ053867 GSSCCEMH C30H48N10O13S3 852.2565 NA PeJP NA NA +PJ053868 CCCNHHH C31H44N14O9S3 852.2578 NA PeJP NA NA +PJ053869 GDDDDMW C34H44N8O16S 852.2596 NA PeJP NA NA +PJ053870 GCCNMYY C35H48N8O11S3 852.2605 NA PeJP NA NA +PJ053871 GSSDDDEE C30H44N8O21 852.2621 NA PeJP NA NA +PJ053872 GSPCDDEM C31H48N8O16S2 852.263 NA PeJP NA NA +PJ053873 GPPCCDMM C32H52N8O11S4 852.2639 NA PeJP NA NA +PJ053874 SCNNDDW C33H44N10O15S 852.2709 NA PeJP NA NA +PJ053875 SSCCMHW C34H48N10O10S3 852.2717 NA PeJP NA NA +PJ053876 GGGAPCCCW C34H48N10O10S3 852.2718 NA PeJP NA NA +PJ053877 SSSNNDDD C29H44N10O20 852.2734 NA PeJP NA NA +PJ053878 SSSSCDMH C30H48N10O15S2 852.2742 NA PeJP NA NA +PJ053879 GGGGNDDMM C30H48N10O15S2 852.2743 NA PeJP NA NA +PJ053880 CDDEWW C38H44N8O13S 852.2749 NA PeJP NA NA +PJ053881 SCNMMMH C31H52N10O10S4 852.2751 NA PeJP NA NA +PJ053882 SSDDDEW C34H44N8O18 852.2774 NA PeJP NA NA +PJ053883 SSCCQYY C35H48N8O13S2 852.2782 NA PeJP NA NA +PJ053884 SPCDDMW C35H48N8O13S2 852.2783 NA PeJP NA NA +PJ053885 CCCCKFF C36H52N8O8S4 852.2791 NA PeJP NA NA +PJ053886 SNDEEEM C31H48N8O18S 852.2808 NA PeJP NA NA +PJ053887 DDDYYY C39H44N6O16 852.2814 NA PeJP NA NA +PJ053888 PNDDMMM C32H52N8O13S3 852.2816 NA PeJP NA NA +PJ053889 GPPCCCHH C33H48N12O9S3 852.283 NA PeJP NA NA +PJ053890 CCNNDER C29H48N12O14S2 852.2855 NA PeJP NA NA +PJ053891 DMMMYY C37H52N6O11S3 852.2856 NA PeJP NA NA +PJ053892 TCCCMHR C30H52N12O9S4 852.2863 NA PeJP NA NA +PJ053893 NNNDDDF C33H44N10O17 852.2886 NA PeJP NA NA +PJ053894 GGGGGGDDDF C33H44N10O17 852.2887 NA PeJP NA NA +PJ053895 GCNNEMW C34H48N10O12S2 852.2895 NA PeJP NA NA +PJ053896 SDDDDMR C30H48N10O17S 852.292 NA PeJP NA NA +PJ053897 PCCDEMR C31H52N10O12S3 852.2929 NA PeJP NA NA +PJ053898 CNNNDHH C31H44N14O13S 852.2933 NA PeJP NA NA +PJ053899 GGGGCNDHH C31H44N14O13S 852.2934 NA PeJP NA NA +PJ053900 GCCNFFY C39H48N8O10S2 852.2935 NA PeJP NA NA +PJ053901 GSDEEMW C35H48N8O15S 852.296 NA PeJP NA NA +PJ053902 GPCEMMW C36H52N8O10S3 852.2969 NA PeJP NA NA +PJ053903 GSSSEEEE C31H48N8O20 852.2985 NA PeJP NA NA +PJ053904 GQEEEMM C32H52N8O15S2 852.2994 NA PeJP NA NA +PJ053905 SNDDEHH C32H44N12O16 852.2999 NA PeJP NA NA +PJ053906 DDMFYY C40H48N6O13S 852.3 NA PeJP NA NA +PJ053907 GSPPCMMM C33H56N8O10S4 852.3003 NA PeJP NA NA +PJ053908 GCCNDRW C33H48N12O11S2 852.3007 NA PeJP NA NA +PJ053909 GSSCNDDR C29H48N12O16S 852.3032 NA PeJP NA NA +PJ053910 GGGGGGGGSSTC C29H48N12O16S 852.3033 NA PeJP NA NA +PJ053911 GSPCCCQR C30H52N12O11S3 852.3041 NA PeJP NA NA +PJ053912 MMMMFY C38H56N6O8S4 852.3043 NA PeJP NA NA +PJ053913 CNNMWW C38H48N10O9S2 852.3047 NA PeJP NA NA +PJ053914 GGCNMWW C38H48N10O9S2 852.3048 NA PeJP NA NA +PJ053915 SSNNDMW C34H48N10O14S 852.3072 NA PeJP NA NA +PJ053916 GGSSNDMW C34H48N10O14S 852.3073 NA PeJP NA NA +PJ053917 PCCCNKW C35H52N10O9S3 852.3081 NA PeJP NA NA +PJ053918 SSSSNNEE C30H48N10O19 852.3097 NA PeJP NA NA +PJ053919 GGSSSSNEE C30H48N10O19 852.3098 NA PeJP NA NA +PJ053920 GDDEMMR C31H52N10O14S2 852.3106 NA PeJP NA NA +MJ096180 Mureidomycin E C39H48N8O12S 852.311239 NA MeJP NA NA +PJ053921 SDEMWW C39H48N8O12S 852.3113 NA PeJP NA NA +PJ053922 TCCKMMH C32H56N10O9S4 852.3115 NA PeJP NA NA +PJ053923 PCMMWW C40H52N8O7S3 852.3121 NA PeJP NA NA +PJ053924 SSSEEEW C35H48N8O17 852.3138 NA PeJP NA NA +MJ096181 Kamalachalcone B C51H48O12 852.314577 NA MeJP NA NA +PJ053925 QEEMMW C36H52N8O12S2 852.3146 NA PeJP NA NA +PJ053926 GAEEMMW C36H52N8O12S2 852.3147 NA PeJP NA NA +PJ053927 GSDDHHW C36H44N12O13 852.3151 NA PeJP NA NA +PJ053928 APCCHHW C37H48N12O8S2 852.316 NA PeJP NA NA +PJ053929 STQEEEM C32H52N8O17S 852.3171 NA PeJP NA NA +PJ053930 GGTTEEEM C32H52N8O17S 852.3172 NA PeJP NA NA +PJ053931 SEEYYY C40H48N6O15 852.3178 NA PeJP NA NA +PJ053932 SPQEMMM C33H56N8O12S3 852.318 NA PeJP NA NA +PJ053933 CNNNNQF C33H48N12O13S 852.3185 NA PeJP NA NA +PJ053934 DMMFFY C41H52N6O10S2 852.3187 NA PeJP NA NA +PJ053935 GCCMHFR C34H52N12O8S3 852.3194 NA PeJP NA NA +PJ053936 GSSSSSNNN C29H48N12O18 852.321 NA PeJP NA NA +PJ053937 SCCQQER C30H52N12O13S2 852.3218 NA PeJP NA NA +PJ053938 SCNNEMR C30H52N12O13S2 852.3219 NA PeJP NA NA +PJ053939 GSSCQWW C38H48N10O11S 852.3225 NA PeJP NA NA +PJ053940 GSSSSNEW C34H48N10O16 852.325 NA PeJP NA NA +PJ053941 DDMMRW C35H52N10O11S2 852.3259 NA PeJP NA NA +PJ053942 PCDFWW C43H48N8O9S 852.3265 NA PeJP NA NA +PJ053943 SSDEEMR C31H52N10O16S 852.3284 NA PeJP NA NA +PJ053944 GSPDEYW C39H48N8O14 852.329 NA PeJP NA NA +PJ053945 SPCEMMR C32H56N10O11S3 852.3292 NA PeJP NA NA +PJ053946 GGAQQMMM C32H56N10O11S3 852.3293 NA PeJP NA NA +PJ053947 GCDEHHR C32H48N14O12S 852.3297 NA PeJP NA NA +PJ053948 AEMMWW C40H52N8O9S2 852.3299 NA PeJP NA NA +MJ096182 Virotoxin; [Ala1]Viroidin, S-Deoxy C36H52N8O14S 852.332369 NA MeJP NA NA +PJ053949 GTTEEMW C36H52N8O14S 852.3324 NA PeJP NA NA +PJ053950 DDFFFY C44H48N6O12 852.3331 NA PeJP NA NA +PJ053951 GPTMMMW C37H56N8O9S3 852.3333 NA PeJP NA NA +PJ053952 NEMHHW C37H48N12O10S 852.3337 NA PeJP NA NA +PJ053953 GGEMHHW C37H48N12O10S 852.3338 NA PeJP NA NA +PJ053954 GSTTTEEE C32H52N8O19 852.3349 NA PeJP NA NA +PJ053955 GKEEEMM C33H56N8O14S2 852.3358 NA PeJP NA NA +PJ053956 GNNDDRY C33H48N12O15 852.3362 NA PeJP NA NA +PJ053957 GGGNDDRY C33H48N12O15 852.3363 NA PeJP NA NA +PJ053958 VDMYYY C41H52N6O12S 852.3364 NA PeJP NA NA +PJ053959 PVNMMMM C34H60N8O9S4 852.3366 NA PeJP NA NA +PJ053960 GGPVMMMM C34H60N8O9S4 852.3367 NA PeJP NA NA +PJ053961 GSCNMRW C34H52N12O10S2 852.3371 NA PeJP NA NA +PJ053962 MMMFFF C42H56N6O7S3 852.3373 NA PeJP NA NA +PJ053963 GNDHHHH C34H44N16O11 852.3376 NA PeJP NA NA +PJ053964 CNHFFW C42H48N10O8S 852.3378 NA PeJP NA NA +PJ053965 GSSSNDMR C30H52N12O15S 852.3396 NA PeJP NA NA +PJ053966 SSSSNWW C38H48N10O13 852.3403 NA PeJP NA NA +PJ053967 GNNMMMR C31H56N12O10S3 852.3405 NA PeJP NA NA +PJ053968 CCQKWW C39H52N10O8S2 852.3411 NA PeJP NA NA +PJ053969 SSSQQMW C35H52N10O13S 852.3436 NA PeJP NA NA +PJ053970 GGGGGGPTMY C35H52N10O13S 852.3437 NA PeJP NA NA +PJ053971 SPDYWW C43H48N8O11 852.3443 NA PeJP NA NA +PJ053972 PPCCMFR C36H56N10O8S3 852.3445 NA PeJP NA NA +PJ053973 CDHHRW C36H48N14O9S 852.345 NA PeJP NA NA +PJ053974 SSSSNDKE C31H52N10O18 852.3461 NA PeJP NA NA +PJ053975 GTEEMMR C32H56N10O13S2 852.347 NA PeJP NA NA +PJ053976 SSDDHHR C32H48N14O14 852.3475 NA PeJP NA NA +PJ053977 CNKYYY C40H52N8O11S 852.3476 NA PeJP NA NA +PJ053978 TTEMWW C40H52N8O11S 852.3477 NA PeJP NA NA +PJ053979 GPMMMMR C33H60N10O8S4 852.3479 NA PeJP NA NA +PJ053980 PTCCHHR C33H52N14O9S2 852.3483 NA PeJP NA NA +PJ053981 GMHHWW C41H48N12O7S 852.349 NA PeJP NA NA +PJ053982 STTTEEW C36H52N8O16 852.3501 NA PeJP NA NA +PJ053983 TTTTDEW C36H52N8O16 852.3502 NA PeJP NA NA +PJ053984 KEEMMW C37H56N8O11S2 852.351 NA PeJP NA NA +PJ053985 GSTEHHW C37H48N12O12 852.3515 NA PeJP NA NA +PJ053986 GCCQMRR C30H56N14O9S3 852.3517 NA PeJP NA NA +PJ053987 STKEEEM C33H56N8O16S 852.3535 NA PeJP NA NA +PJ053988 SPKEMMM C34H60N8O11S3 852.3544 NA PeJP NA NA +EUR077 heme A C49H56FeN4O6 852.3549 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR077 heme A C49H56FeN4O6 852.3549 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR077 heme A C49H56FeN4O6 852.3549 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR077 heme A C49H56FeN4O6 852.3549 Wishlist Inhousejuil11 NA NA +C15670 Heme A C49H56FeN4O6 852.3549 NA KEGG NA NA +PJ053989 SSSCQRW C34H52N12O12S 852.3549 NA PeJP NA NA +HMDB06901 Heme A C49H56FeN4O6 852.354919 NA HMDB2010 NA NA +HMDB06901 Heme A C49H56FeN4O6 852.35492 http://www.hmdb.ca/metabolites/HMDB06901 HMDB NA NA +HMDB06901 Heme A C49H56FeN4O6 852.35492 HMDB06901 PFEM_hmdb_metabocards_official NA NA +EUR077 Heme A C49H56FeN4O6 852.354926 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR077 Heme A C49H56FeN4O6 852.354926 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR077 Heme A C49H56FeN4O6 852.354926 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR077 Heme A C49H56FeN4O6 852.354926 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR077 Heme A C49H56FeN4O6 852.354926 Wishlist HMDB NA NA +EUR077 Heme A C49H56FeN4O6 852.354926 Wishlist Inhouse_PFEM NA NA +EUR077 Heme A C49H56FeN4O6 852.354926 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR077 Heme A C49H56FeN4O6 852.354926 Wishlist PFEM_hmdb_metabocards_official NA NA +PJ053990 VMMFYY C42H56N6O9S2 852.355 NA PeJP NA NA +PJ053991 GNQYWW C42H48N10O10 852.3555 NA PeJP NA NA +PJ053992 SSSSSNER C30H52N12O17 852.3574 NA PeJP NA NA +MJ096183 Tenuisine A; 11,11'-Dimethoxy C46H52N4O12 852.358173 NA MeJP NA NA +PJ053993 SSNQMMR C31H56N12O12S2 852.3582 NA PeJP NA NA +PJ053994 GGGGSTMMR C31H56N12O12S2 852.3583 NA PeJP NA NA +4012 LDC, alpha-chain CKDDQNPH 852.3587 haemolytic Inhouse_peptide NA peptide +PJ053995 GSSCKWW C39H52N10O10S 852.3589 NA PeJP NA NA +PJ053996 EFWWW C47H48N8O8 852.3595 NA PeJP NA NA +PJ053997 GSSSSDKW C35H52N10O15 852.3614 NA PeJP NA NA +PJ053998 TEMMRW C36H56N10O10S2 852.3623 NA PeJP NA NA +PJ053999 GNNQHHF C36H48N14O11 852.3627 NA PeJP NA NA +PJ054000 GGGGGQHHF C36H48N14O11 852.3628 NA PeJP NA NA +PJ054001 APMYWW C44H52N8O8S 852.3629 NA PeJP NA NA +PJ054002 GCCCRRR C29H56N16O8S3 852.363 NA PeJP NA NA +PJ054003 STTEEMR C32H56N10O15S 852.3648 NA PeJP NA NA +PJ054004 VQEEYW C40H52N8O13 852.3654 NA PeJP NA NA +PJ054005 GVEMMMR C33H60N10O10S3 852.3656 NA PeJP NA NA +PJ054006 GGGAAKMMM C33H60N10O10S3 852.3657 NA PeJP NA NA +PJ054007 GSEMHHR C33H52N14O11S 852.3661 NA PeJP NA NA +PJ054008 SLMMWW C41H56N8O8S2 852.3663 NA PeJP NA NA +PJ054009 STHHWW C41H48N12O9 852.3668 NA PeJP NA NA +PJ054010 SSTLEMW C37H56N8O13S 852.3688 NA PeJP NA NA +PJ054011 PTFYYY C45H52N6O11 852.3694 NA PeJP NA NA +PJ054012 SSCNMRR C30H56N14O11S2 852.3695 NA PeJP NA NA +PJ054013 AALMMMW C38H60N8O8S3 852.3697 NA PeJP NA NA +PJ054014 CNQFRW C38H52N12O9S 852.3701 NA PeJP NA NA +PJ054015 SSSTTLEE C33H56N8O18 852.3713 NA PeJP NA NA +PJ054016 SVKEEMM C34H60N8O13S2 852.3722 NA PeJP NA NA +PJ054017 GSSSSSRW C34H52N12O14 852.3726 NA PeJP NA NA +PJ054018 GGGGGGGGSKY C34H52N12O14 852.3727 NA PeJP NA NA +PJ054019 TLMYYY C42H56N6O11S 852.3728 NA PeJP NA NA +PJ054020 PCLKMMM C35H64N8O8S4 852.373 NA PeJP NA NA +PJ054021 GTCCKRW C35H56N12O9S2 852.3735 NA PeJP NA NA +PJ054022 GTQHHHH C35H48N16O10 852.374 NA PeJP NA NA +PJ054023 PPMHWW C43H52N10O7S 852.3742 NA PeJP NA NA +PJ054024 GSSSTQMR C31H56N12O14S 852.376 NA PeJP NA NA +PJ054025 NNKEYW C39H52N10O12 852.3766 NA PeJP NA NA +PJ054026 AEERYW C39H52N10O12 852.3767 NA PeJP NA NA +PJ054027 EMMMRR C32H60N12O9S3 852.3769 NA PeJP NA NA +PJ054028 CCKKWW C40H56N10O7S2 852.3775 NA PeJP NA NA +PJ054029 SSSQKMW C36H56N10O12S 852.38 NA PeJP NA NA +C11616 Pristinamycin IB C44H52N8O10 852.3806 NA KEGG NA NA +C11617 Pristinamycin IC C44H52N8O10 852.3806 NA KEGG NA NA +MJ096184 Ostreogrycin B; N-De-Me C44H52N8O10 852.380639 NA MeJP NA NA +MJ096185 Pristinamycin IC C44H52N8O10 852.380639 NA MeJP NA NA +PJ054030 GLEYWW C44H52N8O10 852.3807 NA PeJP NA NA +PJ054031 VMMMRW C37H60N10O7S3 852.3809 NA PeJP NA NA +PJ054032 SMHHRW C37H52N14O8S 852.3814 NA PeJP NA NA +PJ054033 SSSSTQKE C32H56N10O17 852.3825 NA PeJP NA NA +PJ054034 SSLEMMR C33H60N10O12S2 852.3834 NA PeJP NA NA +PJ054035 SSTEHHR C33H52N14O13 852.3839 NA PeJP NA NA +PJ054036 PKEMYW C41H56N8O10S 852.384 NA PeJP NA NA +PJ054037 GALEMFW C41H56N8O10S 852.3841 NA PeJP NA NA +PJ054038 AAMMHHR C34H56N14O8S2 852.3847 NA PeJP NA NA +PJ054039 SPTKEEY C37H56N8O15 852.3865 NA PeJP NA NA +PJ054040 GVKEEEY C37H56N8O15 852.3866 NA PeJP NA NA +PJ054041 GSSSTCRR C30H56N14O13S 852.3872 NA PeJP NA NA +PJ054042 ATTLMMW C38H60N8O10S2 852.3874 NA PeJP NA NA +PJ054043 SNQRYW C38H52N12O11 852.3879 NA PeJP NA NA +PJ054044 VMFFFY C46H56N6O8S 852.3881 NA PeJP NA NA +PJ054045 SSSSLLEM C34H60N8O15S 852.3899 NA PeJP NA NA +PJ054046 ALKEMMM C35H64N8O10S3 852.3908 NA PeJP NA NA +PJ054047 SSSCKRW C35H56N12O11S 852.3912 NA PeJP NA NA +HMDB01162 Heme O C50H60FeN4O5 852.39124 http://www.hmdb.ca/metabolites/HMDB01162 HMDB NA NA +HMDB01162 Heme O C50H60FeN4O5 852.39124 HMDB01162 PFEM_hmdb_metabocards_official NA NA +PJ054048 GAQQMRY C35H56N12O11S 852.3913 NA PeJP NA NA +PJ054049 GNKYWW C43H52N10O9 852.3919 NA PeJP NA NA +PJ054050 SSSSTTQR C31H56N12O16 852.3937 NA PeJP NA NA +PJ054051 SSSSSDKR C31H56N12O16 852.3938 NA PeJP NA NA +PJ054052 SSNKMMR C32H60N12O11S2 852.3946 NA PeJP NA NA +PJ054053 GNNQQHR C32H52N16O12 852.3951 NA PeJP NA NA +PJ054054 PTMRYW C40H56N10O9S 852.3953 NA PeJP NA NA +PJ054055 LYWWW C48H52N8O7 852.3959 NA PeJP NA NA +PJ054056 GSSSTTKW C36H56N10O14 852.3978 NA PeJP NA NA +PJ054057 SVCCKKW C37H60N10O9S2 852.3986 NA PeJP NA NA +PJ054058 GTCKKMW C37H60N10O9S2 852.3987 NA PeJP NA NA +PJ054059 GSPNHRW C37H52N14O10 852.3991 NA PeJP NA NA +PJ054060 ALMFWW C45H56N8O7S 852.3993 NA PeJP NA NA +PJ054061 GSTTTQKM C33H60N10O14S 852.4011 NA PeJP NA NA +PJ054062 GSSSKKEM C33H60N10O14S 852.4012 NA PeJP NA NA +PJ054063 VKEEYW C41H56N8O12 852.4018 NA PeJP NA NA +PJ054064 ATLMMMR C34H64N10O9S3 852.402 NA PeJP NA NA +PJ054065 NNMRRY C34H56N14O10S 852.4025 NA PeJP NA NA +PJ054066 VQHHFW C42H52N12O8 852.4031 NA PeJP NA NA +PJ054067 GGLHHFW C42H52N12O8 852.4032 NA PeJP NA NA +PJ054068 SSSSSSRR C30H56N14O15 852.405 NA PeJP NA NA +PJ054069 TTTTLMW C38H60N8O12S 852.4052 NA PeJP NA NA +PJ054070 VVFYYY C46H56N6O10 852.4058 NA PeJP NA NA +PJ054071 STCCKRR C31H60N14O10S2 852.4059 NA PeJP NA NA +PJ054072 CNKFRW C39H56N12O8S 852.4065 NA PeJP NA NA +PJ054073 STTTTTLE C34H60N8O17 852.4077 NA PeJP NA NA +PJ054074 TTLKEMM C35H64N8O12S2 852.4085 NA PeJP NA NA +PJ054075 TEERRY C35H56N12O13 852.409 NA PeJP NA NA +PJ054076 GGGGGGGGAPPL C35H56N12O13 852.4091 NA PeJP NA NA +3979 ACE inhibitor VLDTDYK 852.4098 ACE inhibitor Inhouse_peptide NA peptide +PJ054077 PMMRRY C36H60N12O8S2 852.4099 NA PeJP NA NA +PJ054078 GTKHHHH C36H52N16O9 852.4104 NA PeJP NA NA +MJ096186 Desferritriacetylfusigen C39H60N6O15 852.411665 NA MeJP NA NA +PJ054079 GSSSTKMR C32H60N12O13S 852.4124 NA PeJP NA NA +PJ054080 SLERYW C40H56N10O11 852.413 NA PeJP NA NA +PJ054081 GGPPPDKW C40H56N10O11 852.4131 NA PeJP NA NA +PJ054082 GCKKMMR C33H64N12O8S3 852.4133 NA PeJP NA NA +PJ054083 GPCQHRR C33H56N16O9S 852.4137 NA PeJP NA NA +MJ096187 Bryostatin 6 C43H64O17 852.41435 NA MeJP NA NA +MJ096188 Bryostatin 9 C43H64O17 852.41435 NA MeJP NA NA +PJ054084 AHHFRW C41H52N14O7 852.4144 NA PeJP NA NA +MJ096189 Halichondramide; 22-Hydroxy C44H60N4O13 852.415688 NA MeJP NA NA +PJ054085 SSSKKMW C37H60N10O11S 852.4164 NA PeJP NA NA +PJ054086 SVLYWW C45H56N8O9 852.417 NA PeJP NA NA +PJ054087 VVTYWW C45H56N8O9 852.4171 NA PeJP NA NA +MJ096190 Stigmast-24(28)-ene-3,4,6,8,15,29-hexol, 29-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside], 6-sulfate C40H68O17S 852.417721 NA MeJP NA NA +PJ054088 SSSSTKKE C33H60N10O16 852.4189 NA PeJP NA NA +PJ054089 TTTLMMR C34H64N10O11S2 852.4198 NA PeJP NA NA +PJ054090 GSSQRRY C34H56N14O12 852.4202 NA PeJP NA NA +PJ054091 GGGSTRRY C34H56N14O12 852.4203 NA PeJP NA NA +PJ054092 LLQMYW C42H60N8O9S 852.4204 NA PeJP NA NA +PJ054093 VFFFFF C50H56N6O7 852.4211 NA PeJP NA NA +MJ096191 Aurantimycin A; 2',2'',3',3''-Tetradehydro C38H60N8O14 852.422898 NA MeJP NA NA +PJ054094 ATLKEEY C38H60N8O14 852.4229 NA PeJP NA NA +PJ054095 APLKMMY C39H64N8O9S2 852.4238 NA PeJP NA NA +PJ054096 SNKRYW C39H56N12O10 852.4243 NA PeJP NA NA +PJ054097 SSTTTLLM C35H64N8O14S 852.4263 NA PeJP NA NA +PJ054098 SLLKMMM C36H68N8O9S3 852.4272 NA PeJP NA NA +PJ054099 VEMRRY C36H60N12O10S 852.4276 NA PeJP NA NA +PJ054100 GGAAKMRY C36H60N12O10S 852.4277 NA PeJP NA NA +PJ054101 PTFFRW C44H56N10O8 852.4283 NA PeJP NA NA +PJ054102 SSSSTTKR C32H60N12O15 852.4301 NA PeJP NA NA +PJ054103 STCKKMR C33H64N12O10S2 852.431 NA PeJP NA NA +PJ054104 QQEHRR C33H56N16O11 852.4315 NA PeJP NA NA +PJ054105 VVMRYW C41H60N10O8S 852.4317 NA PeJP NA NA +PJ054106 ATTLERY C37H60N10O13 852.4342 NA PeJP NA NA +PJ054107 GVLMMFR C38H64N10O8S2 852.435 NA PeJP NA NA +PJ054108 VQQHRW C38H56N14O9 852.4355 NA PeJP NA NA +PJ054109 GSTTTKKM C34H64N10O13S 852.4375 NA PeJP NA NA +PJ054110 GTTLLYW C42H60N8O11 852.4382 NA PeJP NA NA +PJ054111 GKKKMMM C35H68N10O8S3 852.4384 NA PeJP NA NA +PJ054112 CQKRRY C35H60N14O9S 852.4389 NA PeJP NA NA +PJ054113 VKHHFW C43H56N12O7 852.4395 NA PeJP NA NA +PJ054114 SVLLQMY C39H64N8O11S 852.4415 NA PeJP NA NA +PJ054115 GLLKEMY C39H64N8O11S 852.4416 NA PeJP NA NA +PJ054116 NDHRRR C32H56N18O10 852.4427 NA PeJP NA NA +PJ054117 PMFFRR C40H60N12O7S 852.4429 NA PeJP NA NA +PJ054118 GSDKKRY C36H60N12O12 852.4454 NA PeJP NA NA +PJ054119 LMMFRR C37H64N12O7S2 852.4463 NA PeJP NA NA +PJ054120 AQHRRW C37H56N16O8 852.4467 NA PeJP NA NA +PJ054121 GAAHRRW C37H56N16O8 852.4468 NA PeJP NA NA +PJ054122 TQKKYW C41H60N10O10 852.4494 NA PeJP NA NA +PJ054123 GPCKHRR C34H60N16O8S 852.4501 NA PeJP NA NA +MJ096192 2,3,19-Trihydroxy-12-oleanen-28-oic acid, 19-Ketone, 2-Ac, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C44H68O16 852.450736 NA MeJP NA NA +MJ096193 Hovenidulcigenin A; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C44H68O16 852.450736 NA MeJP NA NA +MJ096194 Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-fucopyranoside] C44H68O16 852.450736 NA MeJP NA NA +MJ096195 Halichondramide; 33-Me, 5,6-dihydro C45H64N4O12 852.452073 NA MeJP NA NA +PJ054124 GTLLMRY C38H64N10O10S 852.4528 NA PeJP NA NA +PJ054125 PLKFYW C46H60N8O8 852.4534 NA PeJP NA NA +PJ054126 GALLFFW C46H60N8O8 852.4535 NA PeJP NA NA +PJ054127 SSTTTTKK C34H64N10O15 852.4553 NA PeJP NA NA +PJ054128 STKKKMM C35H68N10O10S2 852.4562 NA PeJP NA NA +PJ054129 GSSKRRY C35H60N14O11 852.4566 NA PeJP NA NA +PJ054130 GAAPPERR C35H60N14O11 852.4567 NA PeJP NA NA +PJ054131 LLKMYW C43H64N8O8S 852.4568 NA PeJP NA NA +PJ054132 STLLKEY C39H64N8O13 852.4593 NA PeJP NA NA +PJ054133 ALLKMMF C40H68N8O8S2 852.4602 NA PeJP NA NA +PJ054134 LLEHRW C40H60N12O9 852.4607 NA PeJP NA NA +PJ054135 QKKMRY C37H64N12O9S 852.464 NA PeJP NA NA +PJ054136 VLLHWW C45H60N10O7 852.4647 NA PeJP NA NA +PJ054137 GPPDRRR C34H60N16O10 852.4679 NA PeJP NA NA +PJ054138 STTLLRY C38H64N10O12 852.4705 NA PeJP NA NA +PJ054139 GGSTLKKY C38H64N10O12 852.4706 NA PeJP NA NA +PJ054140 AAPPRRW C39H60N14O8 852.4719 NA PeJP NA NA +PJ054141 PPVLLEW C43H64N8O10 852.4746 NA PeJP NA NA +PJ054142 CKKRRY C36H64N14O8S 852.4753 NA PeJP NA NA +PJ054143 SVLLKMY C40H68N8O10S 852.4779 NA PeJP NA NA +PJ054144 SPPPVLLM C40H68N8O10S 852.478 NA PeJP NA NA +PJ054145 TQHRRR C33H60N18O9 852.4791 NA PeJP NA NA +PJ054146 GTTKKRY C37H64N12O11 852.4818 NA PeJP NA NA +7500 ACE inhibitor from b-CN SLVLPVPE 852.482 antioxidative Inhouse_peptide NA peptide +PJ054147 AKHRRW C38H60N16O7 852.4831 NA PeJP NA NA +PJ054148 TKKKYW C42H64N10O9 852.4858 NA PeJP NA NA +MJ096196 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2-O-Acetyl-?-D-xylopyranoside), 6-O-(2-O-acetyl-?-L-rhamnopyranoside) C45H72O15 852.487121 NA MeJP NA NA +MJ096197 Ampelozigenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 15-Ac C45H72O15 852.487121 NA MeJP NA NA +PJ054149 GVKKKMY C39H68N10O9S 852.4892 NA PeJP NA NA +PJ054150 LLKFFW C47H64N8O7 852.4898 NA PeJP NA NA +PJ054151 APPKERR C36H64N14O10 852.493 NA PeJP NA NA +PJ054152 APPTLLLE C40H68N8O12 852.4957 NA PeJP NA NA +PJ054153 VLFRRY C41H64N12O8 852.497 NA PeJP NA NA +PJ054154 GPPLKRW C41H64N12O8 852.4971 NA PeJP NA NA +MJ096198 Microginin 299A; Dechloro C45H68N6O10 852.499692 NA MeJP NA NA +PJ054155 KKKMRY C38H68N12O8S 852.5004 NA PeJP NA NA +PJ054156 APPTRRR C35H64N16O9 852.5043 NA PeJP NA NA +PJ054157 SSLKKKY C39H68N10O11 852.5069 NA PeJP NA NA +PJ054158 GPPVVKKE C39H68N10O11 852.507 NA PeJP NA NA +PJ054159 VKKHRW C40H64N14O7 852.5083 NA PeJP NA NA +PJ054160 GLLLKFY C44H68N8O9 852.511 NA PeJP NA NA +PJ054161 GPPLLLLM C41H72N8O9S 852.5143 NA PeJP NA NA +PJ054162 TKHRRR C34H64N18O8 852.5155 NA PeJP NA NA +PJ054163 TTLLLHR C38H68N12O10 852.5182 NA PeJP NA NA +PJ054164 PPVVKKW C43H68N10O8 852.5222 NA PeJP NA NA +MJ096199 Bafilomycin A1; O7-(2-Methylpropanoyl), O21-(2-O-methyl-?-L-rhamnopyranoside) C46H76O14 852.523507 NA MeJP NA NA +MJ096200 Dianemycin; 10-Demethyl C46H76O14 852.523507 NA MeJP NA NA +MJ096201 Dianemycin; 6-Demethyl C46H76O14 852.523507 NA MeJP NA NA +MJ096202 Leuseramycin B C46H76O14 852.523507 NA MeJP NA NA +MJ096203 Peliomycin C46H76O14 852.523507 NA MeJP NA NA +PJ054165 VLLLKMH C40H72N10O8S 852.5256 NA PeJP NA NA +PJ054166 SPPLKRR C37H68N14O9 852.5294 NA PeJP NA NA +PJ054167 GPVLLLLE C41H72N8O11 852.5321 NA PeJP NA NA +PJ054168 KKKFFR C42H68N12O7 852.5334 NA PeJP NA NA +PJ054169 GPVLRRR C36H68N16O8 852.5407 NA PeJP NA NA +PJ054170 PLLLLER C40H72N10O10 852.5433 NA PeJP NA NA +PJ054171 PVLLLLW C45H72N8O8 852.5474 NA PeJP NA NA +PJ054172 PLRRRR C35H68N18O7 852.5519 NA PeJP NA NA +PJ054173 PVLLQKR C39H72N12O9 852.5546 NA PeJP NA NA +PJ054174 APLLKRR C38H72N14O8 852.5658 NA PeJP NA NA +PJ054175 APTLLLLL C42H76N8O10 852.5685 NA PeJP NA NA +PJ054176 AAPLLLKK C41H76N10O9 852.5797 NA PeJP NA NA +PJ054177 PVLLKKR C40H76N12O8 852.591 NA PeJP NA NA +MJ096204 Ritterazine R C54H80N2O6 852.601638 NA MeJP NA NA +PJ054178 GVLLLLLL C43H80N8O9 852.6049 NA PeJP NA NA +PJ054179 LLLLLLR C42H80N10O8 852.6161 NA PeJP NA NA +HMDB05380 TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C55H96O6 852.7207 http://www.hmdb.ca/metabolites/HMDB05380 HMDB NA NA +HMDB05446 TG(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C55H96O6 852.7207 http://www.hmdb.ca/metabolites/HMDB05446 HMDB NA NA +HMDB05380 TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C55H96O6 852.7207 HMDB05380 PFEM_hmdb_metabocards_official NA NA +HMDB05446 TG(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C55H96O6 852.7207 HMDB05446 PFEM_hmdb_metabocards_official NA NA +HMDB05380 TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C55H96O6 852.720703 NA HMDB2010 NA NA +HMDB05446 TG(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C55H96O6 852.720703 NA HMDB2010 NA NA +HMDB10450 TG(18:1(9Z)/14:0/20:4(5Z,8Z,11Z,14Z))[iso6] C55H96O6 852.720703 NA HMDB2010 NA NA +HMDB10473 TG(18:2(9Z,12Z)/16:0/18:3(9Z,12Z,15Z))[iso6] C55H96O6 852.720703 NA HMDB2010 NA NA +5319 aurein 2,5 GLFDIVKKVVGAFGSLG 852.9799 MH2+ Inhouse_peptide NA peptide +5471 aurein 2,5 GLFDIVKKVVGAFGSLG 852.9799 MH2+ Inhouse_peptide NA peptide +HMDB01175 Malonyl-CoA C24H38N7O19P3S 853.1156 http://www.hmdb.ca/metabolites/HMDB01175 HMDB NA NA +C00083 Malonyl-CoA C24H38N7O19P3S 853.1156 NA KEGG NA NA +HMDB01175 Malonyl-CoA C24H38N7O19P3S 853.1156 HMDB01175 PFEM_hmdb_metabocards_official NA NA +HMDB01175 Malonyl-CoA C24H38N7O19P3S 853.115601 NA HMDB2010 NA NA +MJ096205 Malonyl-CoA C24H38N7O19P3S 853.115602 NA MeJP NA NA +MetaCyc04193 malonyl-CoA [malonylCoenzyme A;] C24H38N7O19P3S1 853.115602 524-14-1 metacyc NA NA +PJ054180 CCCCCCCN C25H43N9O10S7 853.1178 NA PeJP NA NA +HMDB01052 (S)-3-Hydroxyisobutyryl-CoA C25H42N7O18P3S 853.151978 NA HMDB2010 NA NA +HMDB01166 3-Hydroxybutyryl-CoA C25H42N7O18P3S 853.151978 NA HMDB2010 NA NA +HMDB01052 (S)-3-Hydroxyisobutyryl-CoA C25H42N7O18P3S 853.15198 http://www.hmdb.ca/metabolites/HMDB01052 HMDB NA NA +HMDB01166 3-Hydroxybutyryl-CoA C25H42N7O18P3S 853.15198 http://www.hmdb.ca/metabolites/HMDB01166 HMDB NA NA +HMDB01052 (S)-3-Hydroxyisobutyryl-CoA C25H42N7O18P3S 853.15198 HMDB01052 PFEM_hmdb_metabocards_official NA NA +HMDB01166 3-Hydroxybutyryl-CoA C25H42N7O18P3S 853.15198 HMDB01166 PFEM_hmdb_metabocards_official NA NA +MJ096206 (R)-3-Hydroxybutanoyl-CoA C25H42N7O18P3S 853.151987 NA MeJP NA NA +MJ096207 (S)-3-Hydroxybutanoyl-CoA C25H42N7O18P3S 853.151987 NA MeJP NA NA +MetaCyc04194 (S)-3-hydroxybutanoyl-CoA [] C25H42N7O18P3S1 853.151988 NA metacyc NA NA +MetaCyc04195 3-hydroxybutyryl-CoA [3-OH-butyryl-CoA;OH-butyryl-CoA;β-hydroxybutyryl-S-CoA;D-3-hydroxybutyryl-CoA;hydroxy-butyryl-CoA;β-hydroxybutyryl-CoA;(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA;3-hydroxybutanoyl-CoA;] C25H42N7O18P3S1 853.151988 NA metacyc NA NA +MetaCyc04196 4-hydroxybutyryl-CoA [4-hydroxy-butyryl-coa;] C25H42N7O18P3S1 853.151988 NA metacyc NA NA +MetaCyc04197 3-hydroxy-isobutyryl-CoA [3-Hydroxy-2-methylpropanoyl-CoA;3-hydroxy-isobutyryl-coenzyme A;3-Hydroxy-2-methylpropionyl-CoA;] C25H42N7O18P3S1 853.151988 NA metacyc NA NA +C01144 (S)-3-Hydroxybutanoyl-CoA C25H42N7O18P3S 853.152 NA KEGG NA NA +C03561 (R)-3-Hydroxybutanoyl-CoA C25H42N7O18P3S 853.152 NA KEGG NA NA +C04047 3-Hydroxy-2-methylpropanoyl-CoA C25H42N7O18P3S 853.152 NA KEGG NA NA +C05116 3-Hydroxybutanoyl-CoA C25H42N7O18P3S 853.152 NA KEGG NA NA +C06000 (S)-3-Hydroxyisobutyryl-CoA C25H42N7O18P3S 853.152 NA KEGG NA NA +C11062 4-Hydroxybutyryl-CoA C25H42N7O18P3S 853.152 NA KEGG NA NA +C05997 3-Hydroxyisopentyl-CoA C26H46N7O17P3S 853.1884 NA KEGG NA NA +PJ054181 CCCCEMY C31H47N7O11S5 853.1937 NA PeJP NA NA +PJ054182 GCCCCNDH C28H43N11O12S4 853.1976 NA PeJP NA NA +PJ054183 CCDDMMH C30H47N9O12S4 853.2227 NA PeJP NA NA +PJ054184 PCCCCYY C35H47N7O10S4 853.2268 NA PeJP NA NA +PJ054185 DDDDDEM C30H43N7O20S 853.2284 NA PeJP NA NA +PJ054186 TCCCMMY C32H51N7O10S5 853.2301 NA PeJP NA NA +PJ054187 GCCNNNDD C28H43N11O16S2 853.2331 NA PeJP NA NA +PJ054188 GSCCCNMH C29H47N11O11S4 853.234 NA PeJP NA NA +PJ054189 CCDDDHF C33H43N9O14S2 853.2371 NA PeJP NA NA +PJ054190 GSCNDDDE C29H43N9O19S 853.2396 NA PeJP NA NA +PJ054191 GPCCNDDM C30H47N9O14S3 853.2405 NA PeJP NA NA +PJ054192 CCCDHHH C31H43N13O10S3 853.2418 NA PeJP NA NA +PJ054193 GCCDMYY C35H47N7O12S3 853.2445 NA PeJP NA NA +PJ054194 SSSCCCQH C29H47N11O13S3 853.2517 NA PeJP NA NA +PJ054195 GGGGGGSPCCC C29H47N11O13S3 853.2518 NA PeJP NA NA +PJ054196 SCNDDDW C33H43N9O16S 853.2549 NA PeJP NA NA +PJ054197 PCCCNEW C34H47N9O11S3 853.2558 NA PeJP NA NA +PJ054198 SSSNDDDD C29H43N9O21 853.2574 NA PeJP NA NA +PJ054199 NNDDDMM C30H47N9O16S2 853.2582 NA PeJP NA NA +PJ054200 GGNDDDMM C30H47N9O16S2 853.2583 NA PeJP NA NA +PJ054201 SCDMMMH C31H51N9O11S4 853.2591 NA PeJP NA NA +PJ054202 PDDDDDY C34H43N7O19 853.2614 NA PeJP NA NA +PJ054203 SSCCEYY C35H47N7O14S2 853.2623 NA PeJP NA NA +PJ054204 GCCMMFY C36H51N7O9S4 853.2631 NA PeJP NA NA +PJ054205 SDDEEEM C31H47N7O19S 853.2648 NA PeJP NA NA +PJ054206 PDDDMMM C32H51N7O14S3 853.2657 NA PeJP NA NA +PJ054207 CCCNQHF C33H47N11O10S3 853.267 NA PeJP NA NA +PJ054208 CCNDDER C29H47N11O15S2 853.2695 NA PeJP NA NA +PJ054209 GTCCCCKH C30H51N11O10S4 853.2704 NA PeJP NA NA +PJ054210 GPCCCWW C38H47N9O8S3 853.271 NA PeJP NA NA +PJ054211 NNDDDDF C33H43N9O18 853.2726 NA PeJP NA NA +PJ054212 GGNDDDDF C33H43N9O18 853.2727 NA PeJP NA NA +PJ054213 GCNDEMW C34H47N9O13S2 853.2735 NA PeJP NA NA +PJ054214 GSSNDDEM C30H47N9O18S 853.276 NA PeJP NA NA +PJ054215 GSPCNDMM C31H51N9O13S3 853.2769 NA PeJP NA NA +PJ054216 CNNDDHH C31H43N13O14S 853.2774 NA PeJP NA NA +PJ054217 GCCDFFY C39H47N7O11S2 853.2775 NA PeJP NA NA +PJ054218 ACMMMMH C32H55N9O8S5 853.2778 NA PeJP NA NA +PJ054219 SCCMHHH C32H47N13O9S3 853.2782 NA PeJP NA NA +PJ054220 PDDDDMF C35H47N7O16S 853.28 NA PeJP NA NA +PJ054221 GSCMMYY C36H51N7O11S3 853.2809 NA PeJP NA NA +PJ054222 GEEEEMM C32H51N7O16S2 853.2834 NA PeJP NA NA +PJ054223 SDDDEHH C32H43N11O17 853.2839 NA PeJP NA NA +PJ054224 SCCNNQW C33H47N11O12S2 853.2847 NA PeJP NA NA +PJ054225 GCCDDRW C33H47N11O12S2 853.2848 NA PeJP NA NA +PJ054226 SSSCNNNE C29H47N11O17S 853.2872 NA PeJP NA NA +PJ054227 GSSCDDDR C29H47N11O17S 853.2873 NA PeJP NA NA +PJ054228 GSPCCCER C30H51N11O12S3 853.2881 NA PeJP NA NA +PJ054229 CNDMWW C38H47N9O10S2 853.2888 NA PeJP NA NA +PJ054230 SSNDDMW C34H47N9O15S 853.2913 NA PeJP NA NA +PJ054231 SPCCQMW C35H51N9O10S3 853.2921 NA PeJP NA NA +PJ054232 GGAPPCCCF C35H51N9O10S3 853.2922 NA PeJP NA NA +PJ054233 SSSSNDEE C30H47N9O20 853.2938 NA PeJP NA NA +PJ054234 SNNEEMM C31H51N9O15S2 853.2946 NA PeJP NA NA +PJ054235 GGGGSEEMM C31H51N9O15S2 853.2947 NA PeJP NA NA +PJ054236 CNEYYY C39H47N7O13S 853.2953 NA PeJP NA NA +PJ054237 SSMMMMH C32H55N9O10S4 853.2955 NA PeJP NA NA +PJ054238 GSPCCNHH C32H47N13O11S2 853.296 NA PeJP NA NA +PJ054239 GCCMFFF C40H51N7O8S3 853.2962 NA PeJP NA NA +PJ054240 SPDDEEY C35H47N7O18 853.2978 NA PeJP NA NA +PJ054241 SSTCMYY C36H51N7O13S2 853.2986 NA PeJP NA NA +PJ054242 EEEMMW C36H51N7O13S2 853.2987 NA PeJP NA NA +PJ054243 CCNNNMR C29H51N13O11S3 853.2993 NA PeJP NA NA +PJ054244 GGCCNNMR C29H51N13O11S3 853.2994 NA PeJP NA NA +PJ054245 STEEEEM C32H51N7O18S 853.3012 NA PeJP NA NA +PJ054246 SPEEMMM C33H55N7O13S3 853.302 NA PeJP NA NA +PJ054247 GSSSCNNW C33H47N11O14S 853.3025 NA PeJP NA NA +PJ054248 SPCCCRW C34H51N11O9S3 853.3034 NA PeJP NA NA +PJ054249 ACCWWW C42H47N9O7S2 853.304 NA PeJP NA NA +PJ054250 GSSSSSNND C29H47N11O19 853.305 NA PeJP NA NA +PJ054251 SCNDEMR C30H51N11O14S2 853.3059 NA PeJP NA NA +MJ096208 Lacto-N-fucopentaose I C32H55NO25 853.306316 NA MeJP NA NA +MJ096209 ?-L-Fucopyranosyl-(1?4)-[?-D-galactopyranosyl-(1?3)]-2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-D-glucose; N-Ac C32H55NO25 853.306316 NA MeJP NA NA +HMDB06576 Lacto-N-fucopentaose III C32H55NO25 853.306335 NA HMDB2010 NA NA +HMDB06577 Lacto-N-fucopentaose-2 C32H55NO25 853.306335 NA HMDB2010 NA NA +HMDB06696 Lex-lactose C32H55NO25 853.306335 NA HMDB2010 NA NA +HMDB06705 Lacto-n-fucopentaose I C32H55NO25 853.306335 NA HMDB2010 NA NA +HMDB06706 Lacto-N-fucopentaose V C32H55NO25 853.306335 NA HMDB2010 NA NA +HMDB06576 Lacto-N-fucopentaose III C32H55NO25 853.30634 http://www.hmdb.ca/metabolites/HMDB06576 HMDB NA NA +HMDB06577 Lacto-N-fucopentaose-2 C32H55NO25 853.30634 http://www.hmdb.ca/metabolites/HMDB06577 HMDB NA NA +HMDB06696 Not Available C32H55NO25 853.30634 http://www.hmdb.ca/metabolites/HMDB06696 HMDB NA NA +HMDB06705 Lacto-n-fucopentaose I C32H55NO25 853.30634 http://www.hmdb.ca/metabolites/HMDB06705 HMDB NA NA +HMDB06706 Lacto-N-fucopentaose V C32H55NO25 853.30634 http://www.hmdb.ca/metabolites/HMDB06706 HMDB NA NA +HMDB06576 Lacto-N-fucopentaose III C32H55NO25 853.30634 HMDB06576 PFEM_hmdb_metabocards_official NA NA +HMDB06577 Lacto-N-fucopentaose-2 C32H55NO25 853.30634 HMDB06577 PFEM_hmdb_metabocards_official NA NA +HMDB06696 Not Available C32H55NO25 853.30634 HMDB06696 PFEM_hmdb_metabocards_official NA NA +HMDB06705 Lacto-n-fucopentaose I C32H55NO25 853.30634 HMDB06705 PFEM_hmdb_metabocards_official NA NA +HMDB06706 Lacto-N-fucopentaose V C32H55NO25 853.30634 HMDB06706 PFEM_hmdb_metabocards_official NA NA +PJ054252 GSSCEWW C38H47N9O12S 853.3065 NA PeJP NA NA +PJ054253 PCCNMMR C31H55N11O9S4 853.3067 NA PeJP NA NA +PJ054254 GGPCCMMR C31H55N11O9S4 853.3068 NA PeJP NA NA +PJ054255 CMMHFW C39H51N9O7S3 853.3074 NA PeJP NA NA +PJ054256 GSSSSDEW C34H47N9O17 853.309 NA PeJP NA NA +PJ054257 GSNEMMW C35H51N9O12S2 853.3099 NA PeJP NA NA +PJ054258 GCYYYW C43H47N7O10S 853.3105 NA PeJP NA NA +PJ054259 ACCHHHF C36H47N13O8S2 853.3112 NA PeJP NA NA +PJ054260 GSSSQEEM C31H51N9O17S 853.3124 NA PeJP NA NA +PJ054261 GSSDYYY C39H47N7O15 853.313 NA PeJP NA NA +PJ054262 DEEEFW C39H47N7O15 853.3131 NA PeJP NA NA +PJ054263 GQQEMMM C32H55N9O12S3 853.3133 NA PeJP NA NA +PJ054264 SNNDMHH C32H47N13O13S 853.3137 NA PeJP NA NA +PJ054265 GGGGSDMHH C32H47N13O13S 853.3138 NA PeJP NA NA +PJ054266 CQMFYY C40H51N7O10S2 853.3139 NA PeJP NA NA +MJ096210 Sulfurmycin B; 10-Hydroxy C43H51NO17 853.315699 NA MeJP NA NA +PJ054267 GPEEEMY C36H51N7O15S 853.3164 NA PeJP NA NA +PJ054268 SCCDDRR C29H51N13O13S2 853.3171 NA PeJP NA NA +PJ054269 PPCEMMF C37H55N7O10S3 853.3173 NA PeJP NA NA +PJ054270 GCNNNFW C37H47N11O11S 853.3178 NA PeJP NA NA +PJ054271 SVEEEMM C33H55N7O15S2 853.3198 NA PeJP NA NA +PJ054272 SNNNNEY C33H47N11O16 853.3202 NA PeJP NA NA +PJ054273 GNDDDRY C33H47N11O16 853.3203 NA PeJP NA NA +PJ054274 PVDMMMM C34H59N7O10S4 853.3207 NA PeJP NA NA +PJ054275 GSCDMRW C34H51N11O11S2 853.3211 NA PeJP NA NA +PJ054276 GDDHHHH C34H43N15O12 853.3216 NA PeJP NA NA +PJ054277 SSCWWW C42H47N9O9S 853.3218 NA PeJP NA NA +PJ054278 GSSSDDMR C30H51N11O16S 853.3236 NA PeJP NA NA +PJ054279 SSSSDWW C38H47N9O14 853.3243 NA PeJP NA NA +PJ054280 GNDMMMR C31H55N11O11S3 853.3245 NA PeJP NA NA +PJ054281 SNMMWW C39H51N9O9S2 853.3251 NA PeJP NA NA +PJ054282 GGSMMWW C39H51N9O9S2 853.3252 NA PeJP NA NA +PJ054283 SSSQEMW C35H51N9O14S 853.3276 NA PeJP NA NA +PJ054284 GGSSTEMW C35H51N9O14S 853.3277 NA PeJP NA NA +PJ054285 QQMMMW C36H55N9O9S3 853.3285 NA PeJP NA NA +PJ054286 GSCQHHW C36H47N13O10S 853.329 NA PeJP NA NA +PJ054287 SSSSTQEE C31H51N9O19 853.3301 NA PeJP NA NA +PJ054288 GGSSSTTEE C31H51N9O19 853.3302 NA PeJP NA NA +MJ096211 Taxol? C47H51NO14 853.330955 NA MeJP NA NA +MJ096212 Taxol? C47H51NO14 853.330955 NA MeJP NA NA +C07394 Paclitaxel C47H51NO14 853.331 NA KEGG NA NA +PJ054289 SNDKEMM C32H55N9O14S2 853.331 NA PeJP NA NA +PJ054290 GSSSNEHH C32H47N13O15 853.3315 NA PeJP NA NA +PJ054291 PEEMYW C40H51N7O12S 853.3317 NA PeJP NA NA +PJ054292 PCNKMMM C33H59N9O9S4 853.3319 NA PeJP NA NA +PJ054293 GNQMMHH C33H51N13O10S2 853.3324 NA PeJP NA NA +PJ054294 GVEEEEY C36H51N7O17 853.3342 NA PeJP NA NA +PJ054295 SSSSCNNR C29H51N13O15S 853.3349 NA PeJP NA NA +PJ054296 SPPEMMY C37H55N7O12S2 853.335 NA PeJP NA NA +PJ054297 APEEMMF C37H55N7O12S2 853.3351 NA PeJP NA NA +PJ054298 GSNNNYW C37H47N11O13 853.3355 NA PeJP NA NA +PJ054299 GCCEMRR C30H55N13O10S3 853.3357 NA PeJP NA NA +PJ054300 GGGACCCKR C30H55N13O10S3 853.3358 NA PeJP NA NA +PJ054301 TCCRWW C38H51N11O8S2 853.3364 NA PeJP NA NA +PJ054302 ALEEMMM C34H59N7O12S3 853.3384 NA PeJP NA NA +PJ054303 SSSCERW C34H51N11O13S 853.3389 NA PeJP NA NA +PJ054304 GNEYWW C42H47N9O11 853.3395 NA PeJP NA NA +PJ054305 CQMMRW C35H55N11O8S3 853.3398 NA PeJP NA NA +PJ054306 SPCHHHH C35H47N15O9S 853.3402 NA PeJP NA NA +PJ054307 SSSSSDER C30H51N11O18 853.3414 NA PeJP NA NA +PJ054308 SSNEMMR C31H55N11O13S2 853.3423 NA PeJP NA NA +PJ054309 NNNNNQH C31H47N15O14 853.3427 NA PeJP NA NA +PJ054310 GGGGGGGGNQH C31H47N15O14 853.3428 NA PeJP NA NA +PJ054311 GSSTMWW C39H51N9O11S 853.3429 NA PeJP NA NA +PJ054312 GCNMHHR C32H51N15O9S2 853.3436 NA PeJP NA NA +PJ054313 GSSSTTEW C35H51N9O16 853.3454 NA PeJP NA NA +PJ054314 GSDKMMW C36H55N9O11S2 853.3463 NA PeJP NA NA +PJ054315 SSSNHHW C36H47N13O12 853.3467 NA PeJP NA NA +PJ054316 GGSSSHHW C36H47N13O12 853.3468 NA PeJP NA NA +PJ054317 CQFFFY C44H51N7O9S 853.3469 NA PeJP NA NA +PJ054318 GSSSKEEM C32H55N9O16S 853.3488 NA PeJP NA NA +PJ054319 VEEEYW C40H51N7O14 853.3494 NA PeJP NA NA +PJ054320 GQKEMMM C33H59N9O11S3 853.3496 NA PeJP NA NA +PJ054321 GGAKEMMM C33H59N9O11S3 853.3497 NA PeJP NA NA +PJ054322 GCNNQRY C33H51N13O12S 853.3501 NA PeJP NA NA +PJ054323 GGGGGGGAPMH C33H51N13O12S 853.3502 NA PeJP NA NA +PJ054324 CKMFYY C41H55N7O9S2 853.3503 NA PeJP NA NA +PJ054325 PNDHWW C41H47N11O10 853.3508 NA PeJP NA NA +PJ054326 CCMRRW C34H55N13O7S3 853.351 NA PeJP NA NA +PJ054327 SPVEEMY C37H55N7O14S 853.3528 NA PeJP NA NA +PJ054328 SSCDMRR C30H55N13O12S2 853.3535 NA PeJP NA NA +PJ054329 PPCLMMY C38H59N7O9S3 853.3537 NA PeJP NA NA +PJ054330 CNEFRW C38H51N11O10S 853.3541 NA PeJP NA NA +PJ054331 GGCEFRW C38H51N11O10S 853.3542 NA PeJP NA NA +PJ054332 NYWWW C46H47N9O8 853.3548 NA PeJP NA NA +PJ054333 TTLEEMM C34H59N7O14S2 853.3562 NA PeJP NA NA +PJ054334 GSNEERY C34H51N11O15 853.3566 NA PeJP NA NA +PJ054335 GGGSEERY C34H51N11O15 853.3567 NA PeJP NA NA +PJ054336 PTLMMMM C35H63N7O9S4 853.357 NA PeJP NA NA +PJ054337 GSSMMRW C35H55N11O10S2 853.3575 NA PeJP NA NA +PJ054338 GTEHHHH C35H47N15O11 853.358 NA PeJP NA NA +PJ054339 GQMFWW C43H51N9O8S 853.3582 NA PeJP NA NA +PJ054340 GSSSTEMR C31H55N11O15S 853.36 NA PeJP NA NA +PJ054341 SSSTTWW C39H51N9O13 853.3606 NA PeJP NA NA +PJ054342 NDKEYW C39H51N9O13 853.3607 NA PeJP NA NA +PJ054343 GTQMMMR C32H59N11O10S3 853.3609 NA PeJP NA NA +PJ054344 SSCQHHR C32H51N15O11S 853.3613 NA PeJP NA NA +PJ054345 GGSTCHHR C32H51N15O11S 853.3614 NA PeJP NA NA +PJ054346 TCKMWW C40H55N9O8S2 853.3615 NA PeJP NA NA +PJ054347 NNHHFW C40H47N13O9 853.362 NA PeJP NA NA +PJ054348 SSSKEMW C36H55N9O13S 853.364 NA PeJP NA NA +PJ054349 GGGGALEMY C36H55N9O13S 853.3641 NA PeJP NA NA +PJ054350 PPEYYW C44H51N7O11 853.3647 NA PeJP NA NA +PJ054351 QKMMMW C37H59N9O8S3 853.3649 NA PeJP NA NA +PJ054352 GSCKHHW C37H51N13O9S 853.3654 NA PeJP NA NA +PJ054353 SSSSTKEE C32H55N9O18 853.3665 NA PeJP NA NA +PJ054354 STQKEMM C33H59N9O13S2 853.3674 NA PeJP NA NA +PJ054355 SSNNNRY C33H51N13O14 853.3679 NA PeJP NA NA +PJ054356 SKMYYY C41H55N7O11S 853.368 NA PeJP NA NA +PJ054357 LEEMFW C41H55N7O11S 853.3681 NA PeJP NA NA +PJ054358 ACQKMHH C34H55N13O9S2 853.3687 NA PeJP NA NA +PJ054359 GPCCRRY C34H55N13O9S2 853.3688 NA PeJP NA NA +PJ054360 GCFRWW C42H51N11O7S 853.3694 NA PeJP NA NA +PJ054361 ATLEEEY C37H55N7O16 853.3706 NA PeJP NA NA +PJ054362 APLEMMY C38H59N7O11S2 853.3714 NA PeJP NA NA +PJ054363 SNERYW C38H51N11O12 853.3719 NA PeJP NA NA +PJ054364 GTCMMRR C31H59N13O9S3 853.3721 NA PeJP NA NA +PJ054365 LMMHHW C39H55N11O7S2 853.3728 NA PeJP NA NA +PJ054366 THHHHW C39H47N15O8 853.3732 NA PeJP NA NA +PJ054367 SLLEMMM C35H63N7O11S3 853.3748 NA PeJP NA NA +PJ054368 SSSTMRW C35H55N11O12S 853.3753 NA PeJP NA NA +PJ054369 GDKYWW C43H51N9O10 853.3759 NA PeJP NA NA +PJ054370 CKMMRW C36H59N11O7S3 853.3761 NA PeJP NA NA +PJ054371 GVMHHHH C36H51N15O8S 853.3766 NA PeJP NA NA +PJ054372 SSSSTTER C31H55N11O17 853.3778 NA PeJP NA NA +PJ054373 SSDKMMR C32H59N11O12S2 853.3786 NA PeJP NA NA +PJ054374 GGGSSCKKM C32H59N11O12S2 853.3787 NA PeJP NA NA +PJ054375 GSSSSHHR C32H51N15O13 853.3791 NA PeJP NA NA +PJ054376 GGGGGGGGGGKH C32H51N15O13 853.3792 NA PeJP NA NA +PJ054377 VQQMYW C40H55N9O10S 853.3793 NA PeJP NA NA +PJ054378 ACCKHHR C33H55N15O8S2 853.38 NA PeJP NA NA +PJ054379 SSSSSTLW C36H55N9O15 853.3818 NA PeJP NA NA +PJ054380 GTTKMMW C37H59N9O10S2 853.3827 NA PeJP NA NA +PJ054381 GSPDHRW C37H51N13O11 853.3831 NA PeJP NA NA +PJ054382 GGGGGVQHW C37H51N13O11 853.3832 NA PeJP NA NA +PJ054383 CKFFFY C45H55N7O8S 853.3833 NA PeJP NA NA +PJ054384 GSTTTKEM C33H59N9O15S 853.3852 NA PeJP NA NA +PJ054385 SPPVEYY C41H55N7O13 853.3858 NA PeJP NA NA +PJ054386 GKKEMMM C34H63N9O10S3 853.386 NA PeJP NA NA +PJ054387 NDMRRY C34H55N13O11S 853.3865 NA PeJP NA NA +PJ054388 PPCLMFF C42H59N7O8S2 853.3867 NA PeJP NA NA +PJ054389 GSRYWW C42H51N11O9 853.3872 NA PeJP NA NA +PJ054390 MHHHHR C35H51N17O7S 853.3879 NA PeJP NA NA +PJ054391 GLLEEMY C38H59N7O13S 853.3892 NA PeJP NA NA +PJ054392 SSSMMRR C31H59N13O11S2 853.3899 NA PeJP NA NA +PJ054393 PVVMMMF C39H63N7O8S3 853.3901 NA PeJP NA NA +PJ054394 AQMRYW C39H55N11O9S 853.3905 NA PeJP NA NA +PJ054395 AHFFFW C47H51N9O7 853.3912 NA PeJP NA NA +PJ054396 GSDKERY C35H55N11O14 853.393 NA PeJP NA NA +PJ054397 GGGVVVDDH C35H55N11O14 853.3931 NA PeJP NA NA +PJ054398 VVLMMMM C36H67N7O8S4 853.3934 NA PeJP NA NA +PJ054399 GPCKMRY C36H59N11O9S2 853.3939 NA PeJP NA NA +PJ054400 NNQHRW C36H51N15O10 853.3944 NA PeJP NA NA +PJ054401 GKMFWW C44H55N9O7S 853.3946 NA PeJP NA NA +PJ054402 SSSSSLMR C32H59N11O14S 853.3964 NA PeJP NA NA +PJ054403 TQKEYW C40H55N9O12 853.397 NA PeJP NA NA +PJ054404 GATKEYW C40H55N9O12 853.3971 NA PeJP NA NA +PJ054405 GTKMMMR C33H63N11O9S3 853.3973 NA PeJP NA NA +PJ054406 GPCEHRR C33H55N15O10S 853.3977 NA PeJP NA NA +PJ054407 APCDHRR C33H55N15O10S 853.3978 NA PeJP NA NA +PJ054408 STTTKMW C37H59N9O12S 853.4004 NA PeJP NA NA +MJ096213 Hymenamide E C45H55N7O10 853.401041 NA MeJP NA NA +PJ054409 PLEFYW C45H55N7O10 853.4011 NA PeJP NA NA +PJ054410 KKMMMW C38H63N9O7S3 853.4013 NA PeJP NA NA +PJ054411 ACRRYW C38H55N13O8S 853.4018 NA PeJP NA NA +PJ054412 SSTTTTKE C33H59N9O17 853.4029 NA PeJP NA NA +PJ054413 STKKEMM C34H63N9O12S2 853.4038 NA PeJP NA NA +PJ054414 GSSERRY C34H55N13O13 853.4043 NA PeJP NA NA +PJ054415 LLEMYW C42H59N7O10S 853.4044 NA PeJP NA NA +PJ054416 PVVDMFF C42H59N7O10S 853.4045 NA PeJP NA NA +PJ054417 NMMFRR C35H59N13O8S2 853.4051 NA PeJP NA NA +PJ054418 GPNHHHR C35H51N17O9 853.4056 NA PeJP NA NA +PJ054419 STLLEEY C38H59N7O15 853.4069 NA PeJP NA NA +PJ054420 SPLLMMY C39H63N7O10S2 853.4078 NA PeJP NA NA +PJ054421 SDKRYW C39H55N11O11 853.4083 NA PeJP NA NA +PJ054422 ASVQMRY C36H59N11O11S 853.4116 NA PeJP NA NA +PJ054423 QKEMRY C36H59N11O11S 853.4117 NA PeJP NA NA +PJ054424 ATKYWW C44H55N9O9 853.4123 NA PeJP NA NA +PJ054425 PCHRRW C37H55N15O7S 853.413 NA PeJP NA NA +PJ054426 SSTTTTTR C32H59N11O16 853.4141 NA PeJP NA NA +PJ054427 GSSSSSSKK C32H59N11O16 853.4142 NA PeJP NA NA +PJ054428 STTKMMR C33H63N11O11S2 853.415 NA PeJP NA NA +PJ054429 QEEHRR C33H55N15O12 853.4155 NA PeJP NA NA +PJ054430 VQKMYW C41H59N9O9S 853.4157 NA PeJP NA NA +6998 potential coeliac toxic peptide (extended motif) QPFRPQQPYPQPQP 853.417 MH2+ Inhouse_peptide NA peptide +6999 potential coeliac toxic peptide (extended motif) PFRPQQPYPQPQPQ 853.417 MH2+ Inhouse_peptide NA peptide +PJ054431 GTKKEEY C37H59N9O14 853.4182 NA PeJP NA NA +PJ054432 AVQKMMF C38H63N9O9S2 853.419 NA PeJP NA NA +PJ054433 GPKKMMY C38H63N9O9S2 853.4191 NA PeJP NA NA +PJ054434 SSRRYW C38H55N13O10 853.4195 NA PeJP NA NA +PJ054435 SSSTTLKM C34H63N9O14S 853.4215 NA PeJP NA NA +PJ054436 GPLLEYY C42H59N7O12 853.4222 NA PeJP NA NA +PJ054437 SVKKMMM C35H67N9O9S3 853.4224 NA PeJP NA NA +PJ054438 TQMRRY C35H59N13O10S 853.4229 NA PeJP NA NA +PJ054439 PTKHWW C43H55N11O8 853.4235 NA PeJP NA NA +PJ054440 GGVLHWW C43H55N11O8 853.4236 NA PeJP NA NA +PJ054441 SVLLEMY C39H63N7O12S 853.4256 NA PeJP NA NA +PJ054442 DDHRRR C32H55N17O11 853.4267 NA PeJP NA NA +PJ054443 GGGGGTHRR C32H55N17O11 853.4268 NA PeJP NA NA +PJ054444 AKMRYW C40H59N11O8S 853.4269 NA PeJP NA NA +PJ054445 GTTKERY C36H59N11O13 853.4294 NA PeJP NA NA +PJ054446 AAKMMFR C37H63N11O8S2 853.4303 NA PeJP NA NA +PJ054447 AEHRRW C37H55N15O9 853.4308 NA PeJP NA NA +PJ054448 SSSSCKKK C33H63N11O13S 853.4328 NA PeJP NA NA +PJ054449 TKKEYW C41H59N9O11 853.4334 NA PeJP NA NA +PJ054450 GGPPVLEW C41H59N9O11 853.4335 NA PeJP NA NA +PJ054451 TCRRRY C34H59N15O9S 853.4341 NA PeJP NA NA +PJ054452 GLHRWW C42H55N13O7 853.4348 NA PeJP NA NA +MJ096214 Cyclosquamosin B; S-Oxide C38H63N9O11S 853.436774 NA MeJP NA NA +PJ054453 GVKKEMY C38H63N9O11S 853.4368 NA PeJP NA NA +PJ054454 PLLYYW C46H59N7O9 853.4375 NA PeJP NA NA +PJ054455 PKMHRW C39H59N13O7S 853.4382 NA PeJP NA NA +PJ054456 TTTTTTTK C34H63N9O16 853.4393 NA PeJP NA NA +PJ054457 GTTTRRY C35H59N13O12 853.4406 NA PeJP NA NA +PJ054458 APPEERR C35H59N13O12 853.4407 NA PeJP NA NA +PJ054459 APLLMFY C43H63N7O9S 853.4408 NA PeJP NA NA +3617 NA HIGPGRAF 853.442 ACE inhibitor Inhouse_peptide NA peptide +PJ054460 ALLLMMY C40H67N7O9S2 853.4442 NA PeJP NA NA +PJ054461 TTKRYW C40H59N11O10 853.4447 NA PeJP NA NA +MJ096215 Halichondramide; 5,6-Dihydro, 5-amino C44H63N5O12 853.447322 NA MeJP NA NA +PJ054462 KKEMRY C37H63N11O10S 853.448 NA PeJP NA NA +PJ054463 GGACKKKY C37H63N11O10S 853.4481 NA PeJP NA NA +PJ054464 GPPVLWW C45H59N9O8 853.4487 NA PeJP NA NA +MJ096216 Antibiotic LL-BM 782?2 C33H63N11O15 853.45051 NA MeJP NA NA +MJ096217 Antibiotic LL-BM 782?2 C33H63N11O15 853.45051 NA MeJP NA NA +PJ054465 KEEHRR C34H59N15O11 853.4519 NA PeJP NA NA +PJ054466 VKKMYW C42H63N9O8S 853.4521 NA PeJP NA NA +PJ054467 SSLKKEY C38H63N9O13 853.4546 NA PeJP NA NA +PJ054468 GLKKMMF C39H67N9O8S2 853.4554 NA PeJP NA NA +PJ054469 VKEHRW C39H59N13O9 853.4559 NA PeJP NA NA +PJ054470 SPVLLYY C43H63N7O11 853.4586 NA PeJP NA NA +PJ054471 TKMRRY C36H63N13O9S 853.4593 NA PeJP NA NA +PJ054472 PPLRWW C44H59N11O7 853.4599 NA PeJP NA NA +PJ054473 TTLLLMY C40H67N7O11S 853.462 NA PeJP NA NA +MJ096218 Vinblastine; O17-(2-Dimethylaminoacetyl) C48H63N5O9 853.462578 NA MeJP NA NA +PJ054474 TEHRRR C33H59N17O10 853.4631 NA PeJP NA NA +PJ054475 SSTLKRY C37H63N11O12 853.4658 NA PeJP NA NA +PJ054476 SLHRRW C38H59N15O8 853.4671 NA PeJP NA NA +PJ054477 PPVVKEW C42H63N9O10 853.4698 NA PeJP NA NA +PJ054478 AALMHRR C35H63N15O8S 853.4705 NA PeJP NA NA +PJ054479 ATLKKMY C39H67N9O10S 853.4732 NA PeJP NA NA +PJ054480 LLLFYW C47H63N7O8 853.4738 NA PeJP NA NA +PJ054481 APLLFFF C47H63N7O8 853.4739 NA PeJP NA NA +PJ054482 SPPLERR C36H63N13O11 853.477 NA PeJP NA NA +PJ054483 GGPPDKKR C36H63N13O11 853.4771 NA PeJP NA NA +PJ054484 ALLLMFF C44H67N7O8S 853.4772 NA PeJP NA NA +PJ054485 SPPVLRW C41H63N11O9 853.4811 NA PeJP NA NA +PJ054486 VMHRRR C34H63N17O7S 853.4818 NA PeJP NA NA +MJ096219 Platenomycin W2 C44H71NO15 853.48237 NA MeJP NA NA +MJ096220 Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] C44H71NO15 853.48237 NA MeJP NA NA +MJ096221 Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] C44H71NO15 853.48237 NA MeJP NA NA +PJ054487 GCKKKKY C38H67N11O9S 853.4844 NA PeJP NA NA +PJ054488 VKKFFW C46H63N9O7 853.4851 NA PeJP NA NA +PJ054489 ATTLHRR C35H63N15O10 853.4883 NA PeJP NA NA +PJ054490 TTTLKKY C39H67N9O12 853.4909 NA PeJP NA NA +PJ054491 GPPTLLKE C39H67N9O12 853.491 NA PeJP NA NA +PJ054492 QKKKHW C40H63N13O8 853.4923 NA PeJP NA NA +PJ054493 GLLLLYY C44H67N7O10 853.495 NA PeJP NA NA +PJ054494 PPVVMRR C37H67N13O8S 853.4957 NA PeJP NA NA +PJ054495 AAPQRRR C34H63N17O9 853.4995 NA PeJP NA NA +PJ054496 PVLLQER C38H67N11O11 853.5022 NA PeJP NA NA +PJ054497 PPTLLKW C43H67N9O9 853.5062 NA PeJP NA NA +PJ054498 GPPVLLKM C40H71N9O9S 853.5096 NA PeJP NA NA +PJ054499 PNRRRR C33H63N19O8 853.5107 NA PeJP NA NA +PJ054500 GGPRRRR C33H63N19O8 853.5108 NA PeJP NA NA +PJ054501 APLLERR C37H67N13O10 853.5134 NA PeJP NA NA +PJ054502 APPKKKW C42H67N11O8 853.5174 NA PeJP NA NA +PJ054503 GPLLLRW C42H67N11O8 853.5175 NA PeJP NA NA +PJ054504 PPLLKMR C39H71N11O8S 853.5208 NA PeJP NA NA +7515 ACE inhibitor from myosin light chain VKKVLGNP 853.5239 antioxidative Inhouse_peptide NA peptide +PJ054505 GPLQKRR C36H67N15O9 853.5247 NA PeJP NA NA +PJ054506 SSPPLLLK C40H71N9O11 853.5273 NA PeJP NA NA +PJ054507 AAPLLLKE C40H71N9O11 853.5274 NA PeJP NA NA +PJ054508 KKKKHW C41H67N13O7 853.5287 NA PeJP NA NA +PJ054509 AAPKRRR C35H67N17O8 853.5359 NA PeJP NA NA +PJ054510 PVLLKER C39H71N11O10 853.5386 NA PeJP NA NA +PJ054511 PVVLLKW C44H71N9O8 853.5426 NA PeJP NA NA +PJ054512 SPLLLRR C38H71N13O9 853.5498 NA PeJP NA NA +EUR1020 PC 40:7 [M+Na]+ C48H82NO8P 853.559753 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1020 PC 40:7 [M+Na]+ C48H82NO8P 853.559753 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1020 PC 40:7 [M+Na]+ C48H82NO8P 853.559753 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1020 PC 40:7 [M+Na]+ C48H82NO8P 853.559753 masses lipides attendues Inhousejuil11 NA NA +PJ054513 GPLKKRR C37H71N15O8 853.5611 NA PeJP NA NA +HMDB08452 PC(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C50H80NO8P 853.562134 NA HMDB2010 NA NA +HMDB08485 PC(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C50H80NO8P 853.562134 NA HMDB2010 NA NA +HMDB08516 PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C50H80NO8P 853.562134 NA HMDB2010 NA NA +HMDB08517 PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C50H80NO8P 853.562134 NA HMDB2010 NA NA +HMDB08675 PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C50H80NO8P 853.562134 NA HMDB2010 NA NA +HMDB08708 PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C50H80NO8P 853.562134 NA HMDB2010 NA NA +HMDB08739 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C50H80NO8P 853.562134 NA HMDB2010 NA NA +HMDB08740 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C50H80NO8P 853.562134 NA HMDB2010 NA NA +PJ054514 GPTLLLLK C41H75N9O10 853.5637 NA PeJP NA NA +PJ054515 VLLLLQR C40H75N11O9 853.575 NA PeJP NA NA +EUR1002 PC 38:5 [M+FA-H]- C46H82NO8P 853.582687 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1002 PC 38:5 [M+FA-H]- C46H82NO8P 853.582687 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1002 PC 38:5 [M+FA-H]- C46H82NO8P 853.582687 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1002 PC 38:5 [M+FA-H]- C46H82NO8P 853.582687 masses lipides attendues Inhousejuil11 NA NA +PJ054516 ALLLLRR C39H75N13O8 853.5862 NA PeJP NA NA +PJ054517 AALLLLLK C42H79N9O9 853.6001 NA PeJP NA NA +PJ054518 VLLLLKR C41H79N11O8 853.6113 NA PeJP NA NA +HMDB09311 PE(20:2(11Z,14Z)/24:1(15Z)) C49H92NO8P 853.656067 NA HMDB2010 NA NA +HMDB09343 PE(20:3(5Z,8Z,11Z)/24:0) C49H92NO8P 853.656067 NA HMDB2010 NA NA +HMDB09376 PE(20:3(8Z,11Z,14Z)/24:0) C49H92NO8P 853.656067 NA HMDB2010 NA NA +HMDB09536 PE(22:1(13Z)/22:2(13Z,16Z)) C49H92NO8P 853.656067 NA HMDB2010 NA NA +HMDB09568 PE(22:2(13Z,16Z)/22:1(13Z)) C49H92NO8P 853.656067 NA HMDB2010 NA NA +HMDB09727 PE(24:0/20:3(5Z,8Z,11Z)) C49H92NO8P 853.656067 NA HMDB2010 NA NA +HMDB09728 PE(24:0/20:3(8Z,11Z,14Z)) C49H92NO8P 853.656067 NA HMDB2010 NA NA +HMDB09759 PE(24:1(15Z)/20:2(11Z,14Z)) C49H92NO8P 853.656067 NA HMDB2010 NA NA +HMDB08819 PC(24:1(15Z)/P-18:1(11Z)) C50H96NO7P 853.692444 NA HMDB2010 NA NA +HMDB08820 PC(24:1(15Z)/P-18:1(9Z)) C50H96NO7P 853.692444 NA HMDB2010 NA NA +HMDB11297 PC(P-18:1(11Z)/24:1(15Z)) C50H96NO7P 853.692444 NA HMDB2010 NA NA +HMDB11330 PC(P-18:1(9Z)/24:1(15Z)) C50H96NO7P 853.692444 NA HMDB2010 NA NA +HMDB13458 PC(o-24:0/18:3(6Z,9Z,12Z)) C50H96NO7P 853.692444 NA HMDB2010 NA NA +HMDB13459 PC(o-24:0/18:3(9Z,12Z,15Z)) C50H96NO7P 853.692444 NA HMDB2010 NA NA +PJ054519 CCCCCCCD C25H42N8O11S7 854.1018 NA PeJP NA NA +MJ096222 3',3''',3''''',4',4''',4''''',5,5'',5'''',7,7'',7''''-Dodecahydroxy-2',8'':2''',8''''-triflavone C45H26O18 854.111914 NA MeJP NA NA +MJ096223 Aulacomniumtriluteolin C45H26O18 854.111914 NA MeJP NA NA +MJ096224 Strictatriluteolin C45H26O18 854.111914 NA MeJP NA NA +PJ054520 SCCCCCCM C26H46N8O10S7 854.1382 NA PeJP NA NA +PJ054521 ACCCCCCF C30H46N8O9S6 854.1712 NA PeJP NA NA +PJ054522 GCCCCDDH C28H42N10O13S4 854.1816 NA PeJP NA NA +PJ054523 GTCCCCCY C30H46N8O11S5 854.189 NA PeJP NA NA +PJ054524 SPCCCCCH C29H46N10O10S5 854.2002 NA PeJP NA NA +PJ054525 SSSCCCCY C30H46N8O13S4 854.2067 NA PeJP NA NA +PJ054526 PPCCCCDD C30H46N8O13S4 854.2068 NA PeJP NA NA +PJ054527 GCCNNDDD C28H42N10O17S2 854.2171 NA PeJP NA NA +PJ054528 GSCCCDMH C29H46N10O12S4 854.218 NA PeJP NA NA +PJ054529 CCCCNFY C34H46N8O10S4 854.222 NA PeJP NA NA +PJ054530 GSCDDDDE C29H42N8O20S 854.2237 NA PeJP NA NA +PJ054531 GPCCDDDM C30H46N8O15S3 854.2245 NA PeJP NA NA +PJ054532 TCCCCHW C33H46N10O9S4 854.2332 NA PeJP NA NA +PJ054533 SSSCCCEH C29H46N10O14S3 854.2357 NA PeJP NA NA +PJ054534 GGSPCCCND C29H46N10O14S3 854.2358 NA PeJP NA NA +PJ054535 CCCQMMH C30H50N10O9S5 854.2366 NA PeJP NA NA +PJ054536 SCDDDDW C33H42N8O17S 854.2389 NA PeJP NA NA +PJ054537 PCCCDEW C34H46N8O12S3 854.2398 NA PeJP NA NA +PJ054538 SSSDDDDD C29H42N8O22 854.2414 NA PeJP NA NA +PJ054539 NDDDDMM C30H46N8O17S2 854.2423 NA PeJP NA NA +PJ054540 SPPCCCDM C31H50N8O12S4 854.2431 NA PeJP NA NA +PJ054541 GCCCNNNQ C28H46N12O13S3 854.247 NA PeJP NA NA +PJ054542 CCCCMHR C29H50N12O8S5 854.2479 NA PeJP NA NA +PJ054543 CCCNEHF C33H46N10O11S3 854.251 NA PeJP NA NA +PJ054544 CCDDDER C29H46N10O16S2 854.2535 NA PeJP NA NA +PJ054545 GSSCCMMH C30H50N10O11S4 854.2544 NA PeJP NA NA +PJ054546 NDDDDDF C33H42N8O19 854.2567 NA PeJP NA NA +PJ054547 GCDDEMW C34H46N8O14S2 854.2575 NA PeJP NA NA +PJ054548 GSSDDDEM C30H46N8O19S 854.26 NA PeJP NA NA +PJ054549 GSPCDDMM C31H50N8O14S3 854.2609 NA PeJP NA NA +PJ054550 CNDDDHH C31H42N12O15S 854.2614 NA PeJP NA NA +PJ054551 APPCCCMM C32H54N8O9S5 854.2618 NA PeJP NA NA +PJ054552 SSCCNNNN C28H46N12O15S2 854.2647 NA PeJP NA NA +PJ054553 GGGGGGSSCCN C28H46N12O15S2 854.2648 NA PeJP NA NA +PJ054554 GPCCCCNR C29H50N12O10S4 854.2656 NA PeJP NA NA +PJ054555 GCCCHFW C37H46N10O8S3 854.2663 NA PeJP NA NA +PJ054556 SCCNNEW C33H46N10O13S2 854.2688 NA PeJP NA NA +MJ096225 2,15-Dihydroxy-16-kaurene-18,19-dioic acid, 2-O-[2,6-Bis(3-methylbutanoyl)-3,4-disulfo-?-D-glucopyranoside] C36H54O19S2 854.27007 NA MeJP NA NA +PJ054557 SSSCNNDE C29H46N10O18S 854.2713 NA PeJP NA NA +PJ054558 SSSTCCMH C30H50N10O13S3 854.2721 NA PeJP NA NA +PJ054559 GGGGGGCEMM C30H50N10O13S3 854.2722 NA PeJP NA NA +PJ054560 CDDMWW C38H46N8O11S2 854.2728 NA PeJP NA NA +PJ054561 CCCKMMH C31H54N10O8S5 854.273 NA PeJP NA NA +PJ054562 SSDDDMW C34H46N8O16S 854.2753 NA PeJP NA NA +PJ054563 SPCCEMW C35H50N8O11S3 854.2762 NA PeJP NA NA +PJ054564 SSSSDDEE C30H46N8O21 854.2778 NA PeJP NA NA +PJ054565 SNDEEMM C31H50N8O16S2 854.2787 NA PeJP NA NA +PJ054566 CDEYYY C39H46N6O14S 854.2793 NA PeJP NA NA +PJ054567 PCNEMMM C32H54N8O11S4 854.2795 NA PeJP NA NA +PJ054568 GSPCCDHH C32H46N12O12S2 854.28 NA PeJP NA NA +PJ054569 CCNNDMR C29H50N12O12S3 854.2834 NA PeJP NA NA +PJ054570 GSCCNWW C37H46N10O10S2 854.284 NA PeJP NA NA +HMDB01137 Hydroxymethylbilane C40H46N4O17 854.285767 NA HMDB2010 NA NA +MJ096226 Hydroxymethylbilane C40H46N4O17 854.285796 NA MeJP NA NA +MetaCyc04198 hydroxymethylbilane [] C40H46N4O17 854.285796 73023-76-4 metacyc NA NA +C01024 Hydroxymethylbilane C40H46N4O17 854.2858 NA KEGG NA NA +C01025 Lipid hydroperoxide HO2R 854.2858 NA KEGG NA NA +HMDB01137 Hydroxymethylbilane C40H46N4O17 854.28583 http://www.hmdb.ca/metabolites/HMDB01137 HMDB NA NA +HMDB01137 Hydroxymethylbilane C40H46N4O17 854.28583 HMDB01137 PFEM_hmdb_metabocards_official NA NA +PJ054571 GSSSCNDW C33H46N10O15S 854.2865 NA PeJP NA NA +PJ054572 GCNNMMW C34H50N10O10S3 854.2874 NA PeJP NA NA +PJ054573 GSSSSSNDD C29H46N10O20 854.289 NA PeJP NA NA +PJ054574 SCDDEMR C30H50N10O15S2 854.2899 NA PeJP NA NA +PJ054575 GPCDDYW C38H46N8O13S 854.2905 NA PeJP NA NA +PJ054576 PCCDMMR C31H54N10O10S4 854.2908 NA PeJP NA NA +PJ054577 CCNNQHH C31H46N14O11S2 854.2912 NA PeJP NA NA +PJ054578 GGGGGACCHH C31H46N14O11S2 854.2913 NA PeJP NA NA +PJ054579 PPCCCFW C39H50N8O8S3 854.2914 NA PeJP NA NA +PJ054580 GNDEEEY C34H46N8O18 854.293 NA PeJP NA NA +PJ054581 GGGDEEEY C34H46N8O18 854.2931 NA PeJP NA NA +PJ054582 GSDEMMW C35H50N8O13S2 854.2939 NA PeJP NA NA +PJ054583 GPCMMMW C36H54N8O8S4 854.2948 NA PeJP NA NA +PJ054584 GSSSEEEM C31H50N8O18S 854.2964 NA PeJP NA NA +PJ054585 GQEEMMM C32H54N8O13S3 854.2973 NA PeJP NA NA +PJ054586 CNNNNNY C32H46N12O14S 854.2977 NA PeJP NA NA +PJ054587 GGGGCNNNY C32H46N12O14S 854.2978 NA PeJP NA NA +PJ054588 CEMFYY C40H50N6O11S2 854.2979 NA PeJP NA NA +PJ054589 GCCCQRW C33H50N12O9S3 854.2986 NA PeJP NA NA +PJ054590 GSSCCNER C29H50N12O14S2 854.3011 NA PeJP NA NA +PJ054591 GCNNDFW C37H46N10O12S 854.3018 NA PeJP NA NA +PJ054592 GDDDDRY C33H46N10O17 854.3043 NA PeJP NA NA +PJ054593 SSCNQMW C34H50N10O12S2 854.3051 NA PeJP NA NA +PJ054594 GGGGSTCMW C34H50N10O12S2 854.3052 NA PeJP NA NA +PJ054595 SSSSNNEM C30H50N10O17S 854.3076 NA PeJP NA NA +PJ054596 GGGGSSSSEM C30H50N10O17S 854.3077 NA PeJP NA NA +PJ054597 NDEEYW C38H46N8O15 854.3083 NA PeJP NA NA +PJ054598 GDDMMMR C31H54N10O12S3 854.3085 NA PeJP NA NA +PJ054599 GSSCNNHH C31H46N14O13S 854.309 NA PeJP NA NA +PJ054600 SDMMWW C39H50N8O10S2 854.3092 NA PeJP NA NA +PJ054601 PCCCHHR C32H50N14O8S3 854.3099 NA PeJP NA NA +PJ054602 SSSEEMW C35H50N8O15S 854.3117 NA PeJP NA NA +PJ054603 QEMMMW C36H54N8O10S3 854.3125 NA PeJP NA NA +PJ054604 GSCEHHW C36H46N12O11S 854.313 NA PeJP NA NA +PJ054605 SSSSTEEE C31H50N8O20 854.3142 NA PeJP NA NA +PJ054606 STQEEMM C32H54N8O15S2 854.315 NA PeJP NA NA +PJ054607 GSSSDEHH C32H46N12O16 854.3155 NA PeJP NA NA +PJ054608 SEMYYY C40H50N6O13S 854.3157 NA PeJP NA NA +PJ054609 SPQMMMM C33H58N8O10S4 854.3159 NA PeJP NA NA +PJ054610 SSCCNRW C33H50N12O11S2 854.3164 NA PeJP NA NA +PJ054611 SSSSCNDR C29H50N12O16S 854.3189 NA PeJP NA NA +PJ054612 GSNNDYW C37H46N10O14 854.3195 NA PeJP NA NA +PJ054613 SCNNMMR C30H54N12O11S3 854.3197 NA PeJP NA NA +PJ054614 GGSCNMMR C30H54N12O11S3 854.3198 NA PeJP NA NA +PJ054615 GCNMHFF C38H50N10O9S2 854.3204 NA PeJP NA NA +PJ054616 GSSSSNMW C34H50N10O14S 854.3229 NA PeJP NA NA +PJ054617 GDEYWW C42H46N8O12 854.3236 NA PeJP NA NA +PJ054618 CEMMRW C35H54N10O9S3 854.3238 NA PeJP NA NA +PJ054619 GSSSSSSQE C30H50N10O19 854.3254 NA PeJP NA NA +PJ054620 SSDEMMR C31H54N10O14S2 854.3263 NA PeJP NA NA +PJ054621 NNNNNEH C31H46N14O15 854.3267 NA PeJP NA NA +PJ054622 GGGGNNNEH C31H46N14O15 854.3268 NA PeJP NA NA +MJ096227 Mureidomycin E; 6'-Hydroxy, 8'-deoxy, 5'',6''-dihydro C39H50N8O12S 854.326889 NA MeJP NA NA +PJ054623 GSPDMYW C39H50N8O12S 854.3269 NA PeJP NA NA +PJ054624 SPCMMMR C32H58N10O9S4 854.3271 NA PeJP NA NA +PJ054625 APCCCCKK C32H58N10O9S4 854.3272 NA PeJP NA NA +PJ054626 GCDMHHR C32H50N14O10S2 854.3276 NA PeJP NA NA +PJ054627 AMMMWW C40H54N8O7S3 854.3278 NA PeJP NA NA +PJ054628 SCHHWW C40H46N12O8S 854.3283 NA PeJP NA NA +PJ054629 GTQEEEY C35H50N8O17 854.3294 NA PeJP NA NA +PJ054630 GTTEMMW C36H54N8O12S2 854.3303 NA PeJP NA NA +PJ054631 SSSDHHW C36H46N12O13 854.3308 NA PeJP NA NA +PJ054632 PCFYYY C44H50N6O10S 854.3309 NA PeJP NA NA +PJ054633 SCCCQRR C29H54N14O10S3 854.331 NA PeJP NA NA +MJ096228 Decatromicin A; 4''-Chloro C45H56Cl2N2O10 854.331201 NA MeJP NA NA +MJ096229 Decatromicin A; 5''-Chloro C45H56Cl2N2O10 854.331201 NA MeJP NA NA +PJ054634 NMMHHW C37H50N12O8S2 854.3316 NA PeJP NA NA +PJ054635 GSTTTEEM C32H54N8O17S 854.3328 NA PeJP NA NA +PJ054636 GKEEMMM C33H58N8O12S3 854.3337 NA PeJP NA NA +PJ054637 GCNNERY C33H50N12O13S 854.3341 NA PeJP NA NA +PJ054638 GGGGGCERY C33H50N12O13S 854.3342 NA PeJP NA NA +PJ054639 CLMYYY C41H54N6O10S2 854.3343 NA PeJP NA NA +PJ054640 PDDHWW C41H46N10O11 854.3348 NA PeJP NA NA +PJ054641 GCCCKRW C34H54N12O8S3 854.335 NA PeJP NA NA +PJ054642 GCQHHHH C34H46N16O9S 854.3355 NA PeJP NA NA +MJ096230 Dutomycin C44H54O17 854.3361 NA MeJP NA NA +PJ054643 GSSSCQMR C30H54N12O13S2 854.3375 NA PeJP NA NA +PJ054644 NNQMYW C38H50N10O11S 854.3381 NA PeJP NA NA +PJ054645 GGNQMYW C38H50N10O11S 854.3382 NA PeJP NA NA +PJ054646 DYWWW C46H46N8O9 854.3388 NA PeJP NA NA +C04876 N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy- C33H54N6O20 854.3393 NA KEGG NA NA +PJ054647 SSSSSSQW C34H50N10O16 854.3406 NA PeJP NA NA +PJ054648 GASSSSSSW C34H50N10O16 854.3407 NA PeJP NA NA +PJ054649 SSCNKMW C35H54N10O11S2 854.3415 NA PeJP NA NA +PJ054650 GGGGGAAMMF C35H54N10O11S2 854.3416 NA PeJP NA NA +PJ054651 GNNNNHW C35H46N14O12 854.342 NA PeJP NA NA +PJ054652 PTCYWW C43H50N8O9S 854.3422 NA PeJP NA NA +PJ054653 SSSSNDKM C31H54N10O16S 854.344 NA PeJP NA NA +PJ054654 TQEEYW C39H50N8O14 854.3447 NA PeJP NA NA +PJ054655 GTEMMMR C32H58N10O11S3 854.3449 NA PeJP NA NA +PJ054656 SSCEHHR C32H50N14O12S 854.3454 NA PeJP NA NA +PJ054657 TTMMWW C40H54N8O9S2 854.3455 NA PeJP NA NA +PJ054658 GAPMMYW C40H54N8O9S2 854.3456 NA PeJP NA NA +PJ054659 NDHHFW C40H46N12O10 854.346 NA PeJP NA NA +PJ054660 STTTEMW C36H54N8O14S 854.348 NA PeJP NA NA +PJ054661 GVQEEMY C36H54N8O14S 854.3481 NA PeJP NA NA +PJ054662 SPYYYY C44H50N6O12 854.3487 NA PeJP NA NA +PJ054663 KEMMMW C37H58N8O9S3 854.3489 NA PeJP NA NA +PJ054664 CNNRYW C37H50N12O10S 854.3494 NA PeJP NA NA +PJ054665 SSTTTTEE C32H54N8O19 854.3505 NA PeJP NA NA +PJ054666 STKEEMM C33H58N8O14S2 854.3514 NA PeJP NA NA +PJ054667 SSNNDRY C33H50N12O15 854.3519 NA PeJP NA NA +PJ054668 SPKMMMM C34H62N8O9S4 854.3523 NA PeJP NA NA +PJ054669 GCNQMFR C34H54N12O10S2 854.3528 NA PeJP NA NA +PJ054670 SSNHHHH C34H46N16O11 854.3532 NA PeJP NA NA +PJ054671 SSSSSNMR C30H54N12O15S 854.3553 NA PeJP NA NA +PJ054672 SDERYW C38H50N10O13 854.3559 NA PeJP NA NA +PJ054673 SCCQKMR C31H58N12O10S3 854.3561 NA PeJP NA NA +PJ054674 PCMRYW C39H54N10O8S2 854.3568 NA PeJP NA NA +PJ054675 MFWWW C47H50N8O6S 854.3574 NA PeJP NA NA +PJ054676 GSSSTCKW C35H54N10O13S 854.3593 NA PeJP NA NA +PJ054677 ATEYWW C43H50N8O11 854.3599 NA PeJP NA NA +PJ054678 TMMMRW C36H58N10O8S3 854.3602 NA PeJP NA NA +PJ054679 PPCQHHH C36H50N14O9S 854.3606 NA PeJP NA NA +PJ054680 GSSSSSSKE C31H54N10O18 854.3618 NA PeJP NA NA +PJ054681 STTEMMR C32H58N10O13S2 854.3626 NA PeJP NA NA +PJ054682 TTTDMMR C32H58N10O13S2 854.3627 NA PeJP NA NA +PJ054683 GNNEEHR C32H50N14O14 854.3631 NA PeJP NA NA +PJ054684 GGGGGGNDKH C32H50N14O14 854.3632 NA PeJP NA NA +PJ054685 VQEMYW C40H54N8O11S 854.3633 NA PeJP NA NA +PJ054686 GVMMMMR C33H62N10O8S4 854.3635 NA PeJP NA NA +PJ054687 GCCNFRR C33H54N14O9S2 854.364 NA PeJP NA NA +PJ054688 MHHHFF C41H50N12O7S 854.3647 NA PeJP NA NA +PJ054689 GTKEEEY C36H54N8O16 854.3658 NA PeJP NA NA +8302 Soystatin VAWWMY 854.3664 NA ;SYN:(2S)-2,5-diamino-5-oxopentanoic acid; (2S)-2-amino-4-carbamoylbutanoic acid; (S)-2,5-Diamino-5-oxopentanoic acid; 2-Aminoglutaramic acid; Cebrogen; Glavamin; Glumin; Glutamic acid 5-amide; Glutamic acid amide; Glutamine; L-(+)-glutamine; L-2-Aminoglutaramic acid; L-2-Aminoglutaramidic acid; L-Glutamic acid 5-amide; L-Glutaminsaeure-5-amid; L-glutamic acid gamma-amide; L-glutamid; L-glutamide; L-glutamin; L-glutamine; Levoglutamid; Levoglutamida; Levoglutamide; Levoglutamidum; Levoglutamina; Polyglutamine; Stimulina; gamma-glutamine; (2S)-2,5-diamino-5-oxopentanoate; (2S)-2-amino-4-carbamoylbutanoate; (S)-2,5-Diamino-5-oxopentanoateH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +8303 Soystatin VAWWMY 854.3664 NA ;SYN:(2S)-2,5-diamino-5-oxopentanoic acid; (2S)-2-amino-4-carbamoylbutanoic acid; (S)-2,5-Diamino-5-oxopentanoic acid; 2-Aminoglutaramic acid; Cebrogen; Glavamin; Glumin; Glutamic acid 5-amide; Glutamic acid amide; Glutamine; L-(+)-glutamine; L-2-Aminoglutaramic acid; L-2-Aminoglutaramidic acid; L-Glutamic acid 5-amide; L-Glutaminsaeure-5-amid; L-glutamic acid gamma-amide; L-glutamid; L-glutamide; L-glutamin; L-glutamine; Levoglutamid; Levoglutamida; Levoglutamide; Levoglutamidum; Levoglutamina; Polyglutamine; Stimulina; gamma-glutamine; (2S)-2,5-diamino-5-oxopentanoate; (2S)-2-amino-4-carbamoylbutanoate; (S)-2,5-Diamino-5-oxopentanoateH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +PJ054690 SSTLMMW C37H58N8O11S2 854.3667 NA PeJP NA NA +PJ054691 SSTTHHW C37H50N12O12 854.3671 NA PeJP NA NA +PJ054692 GAQQEHW C37H50N12O12 854.3672 NA PeJP NA NA +PJ054693 CLFFYY C45H54N6O9S 854.3673 NA PeJP NA NA +PJ054694 SCCCKRR C30H58N14O9S3 854.3674 NA PeJP NA NA +PJ054695 SSSTTLEM C33H58N8O16S 854.3692 NA PeJP NA NA +PJ054696 SVKEMMM C34H62N8O11S3 854.37 NA PeJP NA NA +PJ054697 VTDKMMM C34H62N8O11S3 854.3701 NA PeJP NA NA +PJ054698 DDMRRY C34H54N12O12S 854.3705 NA PeJP NA NA +PJ054699 PTEHWW C42H50N10O10 854.3712 NA PeJP NA NA +PJ054700 GCKHHHH C35H50N16O8S 854.3719 NA PeJP NA NA +MJ096231 Antibiotic BU 4794F C45H58O16 854.372485 NA MeJP NA NA +PJ054701 GSSSSSSTR C30H54N12O17 854.373 NA PeJP NA NA +PJ054702 GSSSCKMR C31H58N12O12S2 854.3739 NA PeJP NA NA +PJ054703 SNNNNHR C31H50N16O13 854.3744 NA PeJP NA NA +PJ054704 AEMRYW C39H54N10O10S 854.3745 NA PeJP NA NA +PJ054705 GGGGKMYW C39H54N10O10S 854.3746 NA PeJP NA NA +PJ054706 MMMMRR C32H62N12O7S4 854.3748 NA PeJP NA NA +PJ054707 GPFYWW C47H50N8O8 854.3752 NA PeJP NA NA +PJ054708 SSSSSSKW C35H54N10O15 854.377 NA PeJP NA NA +PJ054709 GGGGSTKEY C35H54N10O15 854.3771 NA PeJP NA NA +PJ054710 STCCKKW C36H58N10O10S2 854.3779 NA PeJP NA NA +PJ054711 NNEHRW C36H50N14O11 854.3784 NA PeJP NA NA +PJ054712 GLMYWW C44H54N8O8S 854.3786 NA PeJP NA NA +PJ054713 SSSSTQKM C32H58N10O15S 854.3804 NA PeJP NA NA +PJ054714 TKEEYW C40H54N8O13 854.3811 NA PeJP NA NA +PJ054715 SSLMMMR C33H62N10O10S3 854.3813 NA PeJP NA NA +PJ054716 SSTMHHR C33H54N14O11S 854.3817 NA PeJP NA NA +PJ054717 GSCNRRY C33H54N14O11S 854.3818 NA PeJP NA NA +PJ054718 PKMMYW C41H58N8O8S2 854.3819 NA PeJP NA NA +PJ054719 AQQHWW C41H50N12O9 854.3824 NA PeJP NA NA +PJ054720 GVKEEMY C37H58N8O13S 854.3844 NA PeJP NA NA +PJ054721 GPPPVEEM C37H58N8O13S 854.3845 NA PeJP NA NA +PJ054722 ALYYYY C45H54N6O11 854.3851 NA PeJP NA NA +PJ054723 APKMMMF C38H62N8O8S3 854.3853 NA PeJP NA NA +PJ054724 PEMHRW C38H54N12O9S 854.3858 NA PeJP NA NA +PJ054725 TTTTTTTE C33H58N8O18 854.3869 NA PeJP NA NA +PJ054726 SSSSLLMM C34H62N8O13S2 854.3878 NA PeJP NA NA +PJ054727 SSSQQRY C34H54N12O14 854.3883 NA PeJP NA NA +PJ054728 ALKMMMM C35H66N8O8S4 854.3887 NA PeJP NA NA +PJ054729 ACCQKFR C35H58N12O9S2 854.3891 NA PeJP NA NA +PJ054730 DMMFRR C35H58N12O9S2 854.3892 NA PeJP NA NA +PJ054731 GPDHHHR C35H50N16O10 854.3896 NA PeJP NA NA +PJ054732 PVMHWW C43H54N10O7S 854.3898 NA PeJP NA NA +PJ054733 SSSSTCKR C31H58N12O14S 854.3916 NA PeJP NA NA +PJ054734 TTERYW C39H54N10O12 854.3923 NA PeJP NA NA +PJ054735 SCCKKMR C32H62N12O9S3 854.3925 NA PeJP NA NA +PJ054736 CLMFRW C40H58N10O7S2 854.3932 NA PeJP NA NA +PJ054737 GNHRWW C40H50N14O8 854.3936 NA PeJP NA NA +MJ096232 3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C42H62O18 854.393615 NA MeJP NA NA +PJ054738 GGGHRWW C40H50N14O8 854.3937 NA PeJP NA NA +PJ054739 KEEMRY C36H58N10O12S 854.3957 NA PeJP NA NA +PJ054740 STLYWW C44H54N8O10 854.3963 NA PeJP NA NA +PJ054741 QMHHFR C37H54N14O8S 854.397 NA PeJP NA NA +PJ054742 GSSSSTTTK C32H58N10O17 854.3982 NA PeJP NA NA +PJ054743 GSSSKKMM C33H62N10O12S2 854.399 NA PeJP NA NA +PJ054744 EEEHRR C33H54N14O13 854.3995 NA PeJP NA NA +PJ054745 VKEMYW C41H58N8O10S 854.3997 NA PeJP NA NA +PJ054746 TFFFFF C49H54N6O8 854.4003 NA PeJP NA NA +PJ054747 SSLKEEY C37H58N8O15 854.4022 NA PeJP NA NA +PJ054748 SPVKMMY C38H62N8O10S2 854.4031 NA PeJP NA NA +PJ054749 VEEHRW C38H54N12O11 854.4035 NA PeJP NA NA +PJ054750 GGGPPERW C38H54N12O11 854.4036 NA PeJP NA NA +PJ054751 STTTTTLM C34H62N8O15S 854.4056 NA PeJP NA NA +PJ054752 TTLKMMM C35H66N8O10S3 854.4064 NA PeJP NA NA +PJ054753 TEMRRY C35H58N12O11S 854.4069 NA PeJP NA NA +PJ054754 APRYYW C43H54N10O9 854.4075 NA PeJP NA NA +PJ054755 VVEHWW C43H54N10O9 854.4076 NA PeJP NA NA +PJ054756 CHHFRR C36H54N16O7S 854.4083 NA PeJP NA NA +8128 peptide derived from sardine muscle LQPGQGQQ 854.41 anticancer Inhouse_peptide NA peptide +PJ054757 ASNDHRR C32H54N16O12 854.4107 NA PeJP NA NA +PJ054758 GSNEHRR C32H54N16O12 854.4108 NA PeJP NA NA +PJ054759 SLMRYW C40H58N10O9S 854.4109 NA PeJP NA NA +PJ054760 GLFFWW C48H54N8O7 854.4116 NA PeJP NA NA +PJ054761 SSTLERY C36H58N10O14 854.4134 NA PeJP NA NA +PJ054762 GGAAPPKEE C36H58N10O14 854.4135 NA PeJP NA NA +PJ054763 AALMMRY C37H62N10O9S2 854.4143 NA PeJP NA NA +PJ054764 NDKHRW C37H54N14O10 854.4148 NA PeJP NA NA +PJ054765 PKMFFW C45H58N8O7S 854.415 NA PeJP NA NA +PJ054766 SSSSTKKM C33H62N10O14S 854.4168 NA PeJP NA NA +PJ054767 SSSLLYW C41H58N8O12 854.4174 NA PeJP NA NA +PJ054768 PPVVEEW C41H58N8O12 854.4175 NA PeJP NA NA +PJ054769 SCKKKMM C34H66N10O9S3 854.4177 NA PeJP NA NA +PJ054770 GVQQMHR C34H58N14O10S 854.4181 NA PeJP NA NA +PJ054771 GGGLQMHR C34H58N14O10S 854.4182 NA PeJP NA NA +PJ054772 LKMMFW C42H62N8O7S2 854.4183 NA PeJP NA NA +PJ054773 PPNRWW C42H54N12O8 854.4188 NA PeJP NA NA +PJ054774 ATLKEMY C38H62N8O12S 854.4208 NA PeJP NA NA +PJ054775 GPCKKHW C39H58N12O8S 854.4222 NA PeJP NA NA +PJ054776 SSSQKRY C35H58N12O13 854.4247 NA PeJP NA NA +PJ054777 VMMRRY C36H62N12O8S2 854.4255 NA PeJP NA NA +PJ054778 SNHRRW C36H54N16O9 854.426 NA PeJP NA NA +PJ054779 GSSKKYW C40H58N10O11 854.4287 NA PeJP NA NA +PJ054780 QQMHRR C33H58N16O9S 854.4294 NA PeJP NA NA +MJ096233 3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester, 30-Me ester C43H66O17 854.43 NA MeJP NA NA +MJ096234 Spirosta-5,25(27)-diene-1,3,23-triol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] C43H66O17 854.43 NA MeJP NA NA +MJ096235 Halichondramide; 5,6-Dihydro, 5-hydroxy C44H62N4O13 854.431338 NA MeJP NA NA +PJ054781 ATTLMRY C37H62N10O11S 854.432 NA PeJP NA NA +PJ054782 GTQKKMY C37H62N10O11S 854.4321 NA PeJP NA NA +PJ054783 PVKYYW C45H58N8O9 854.4327 NA PeJP NA NA +MJ096236 Ergostane-3,4,6,8,15,28-hexol, 28-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside], 6-sulfate C40H70O17S 854.433371 NA MeJP NA NA +MJ096237 Stigmastane-3,4,6,8,15,29-hexol, 29-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside], 6-O-sulfate C40H70O17S 854.433371 NA MeJP NA NA +PJ054784 KMHHFR C38H58N14O7S 854.4334 NA PeJP NA NA +PJ054785 SPPNERR C34H58N14O12 854.4359 NA PeJP NA NA +PJ054786 GPLKMFY C42H62N8O9S 854.4361 NA PeJP NA NA +MJ096238 Aurantimycin A; 2',3'-Didehydro C38H62N8O14 854.438548 NA MeJP NA NA +PJ054787 TTTLKEY C38H62N8O14 854.4386 NA PeJP NA NA +PJ054788 AVLKMMY C39H66N8O9S2 854.4394 NA PeJP NA NA +PJ054789 GLLKMMY C39H66N8O9S2 854.4395 NA PeJP NA NA +PJ054790 GPPDKRW C39H58N12O10 854.4399 NA PeJP NA NA +PJ054791 CQHRRR C32H58N18O8S 854.4406 NA PeJP NA NA +MJ096239 Salinamide E C43H62N6O12 854.442571 NA MeJP NA NA +PJ054792 GTCKKRY C36H62N12O10S 854.4433 NA PeJP NA NA +PJ054793 TLLHWW C44H58N10O8 854.4439 NA PeJP NA NA +PJ054794 GPVLHFW C44H58N10O8 854.444 NA PeJP NA NA +PJ054795 GSDKHRR C33H58N16O11 854.4471 NA PeJP NA NA +PJ054796 GGGGAPQRR C33H58N16O11 854.4472 NA PeJP NA NA +PJ054797 CKKKYW C41H62N10O8S 854.4473 NA PeJP NA NA +PJ054798 TTTTLRY C37H62N10O13 854.4498 NA PeJP NA NA +PJ054799 ACKKKMF C38H66N10O8S2 854.4507 NA PeJP NA NA +MJ096240 1-Dodecanol; O-[?-L-Rhamnopyranosyl-(1?3)-2-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] C40H70O19 854.45113 NA MeJP NA NA +PJ054800 GSPPRRW C38H58N14O9 854.4512 NA PeJP NA NA +PJ054801 PPTLLEW C42H62N8O11 854.4538 NA PeJP NA NA +PJ054802 APPPVVEF C42H62N8O11 854.4539 NA PeJP NA NA +PJ054803 APPQMRR C35H62N14O9S 854.4545 NA PeJP NA NA +PJ054804 AKKHWW C43H58N12O7 854.4552 NA PeJP NA NA +PJ054805 STLLKMY C39H66N8O11S 854.4572 NA PeJP NA NA +PJ054806 GSSHRRR C32H58N18O10 854.4584 NA PeJP NA NA +PJ054807 LLMHRW C40H62N12O7S 854.4586 NA PeJP NA NA +PJ054808 SSSKKRY C36H62N12O12 854.461 NA PeJP NA NA +PJ054809 TTLLDHR C36H62N12O12 854.4611 NA PeJP NA NA +PJ054810 GVLHHHR C37H58N16O8 854.4624 NA PeJP NA NA +PJ054811 SSLLLHW C41H62N10O10 854.4651 NA PeJP NA NA +PJ054812 APPCRRR C34H62N16O8S 854.4658 NA PeJP NA NA +MJ096241 2,3,19-Trihydroxy-12-oleanen-28-oic acid, 3-Ac, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C44H70O16 854.466386 NA MeJP NA NA +MJ096242 3,22,24,29-Tetrahydroxy-28-hopanoic acid, 28?22 Lactone, 3-O-[6-O-acetyl-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C44H70O16 854.466386 NA MeJP NA NA +MJ096243 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C44H70O16 854.466386 NA MeJP NA NA +MJ096244 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] C44H70O16 854.466386 NA MeJP NA NA +MJ096245 Hovenidulcigenin A; 24,25?-Dihydro, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C44H70O16 854.466386 NA MeJP NA NA +MJ096246 Spirost-25(27)-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-fucopyranoside] C44H70O16 854.466386 NA MeJP NA NA +MJ096247 Spirost-5-en-3-ol, 3-O-[?-D-Apiofuranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C44H70O16 854.466386 NA MeJP NA NA +MJ096248 Spirost-5-en-3-ol, 3-O-[?-L-Arabinofuranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C44H70O16 854.466386 NA MeJP NA NA +MJ096249 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] C44H70O16 854.466386 NA MeJP NA NA +MJ096250 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] C44H70O16 854.466386 NA MeJP NA NA +MJ096251 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?4)]-?-D-glucopyranoside] C44H70O16 854.466386 NA MeJP NA NA +MJ096252 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?4)]-?-D-glucopyranoside] C44H70O16 854.466386 NA MeJP NA NA +MJ096253 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] C44H70O16 854.466386 NA MeJP NA NA +MJ096254 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?3)]-?-D-glucopyranoside] C44H70O16 854.466386 NA MeJP NA NA +MJ096255 Spirost-5-ene-1,3-diol, 1-O-[?-D-Fucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?4)]-?-D-fucopyranoside] C44H70O16 854.466386 NA MeJP NA NA +MJ096256 Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-fucopyranoside] C44H70O16 854.466386 NA MeJP NA NA +C17042 Ophiopogonin D C44H70O16 854.4664 NA KEGG NA NA +PJ054813 GTKKKMY C38H66N10O10S 854.4684 NA PeJP NA NA +PJ054814 PPLLEMR C38H66N10O10S 854.4685 NA PeJP NA NA +PJ054815 VLKFYW C46H62N8O8 854.4691 NA PeJP NA NA +PJ054816 GPLQERR C35H62N14O11 854.4723 NA PeJP NA NA +PJ054817 PPVLLMW C43H66N8O8S 854.4725 NA PeJP NA NA +PJ054818 LHHHRR C36H58N18O7 854.4736 NA PeJP NA NA +MJ096257 Antibiotic IC 101 C39H66N8O13 854.474934 NA MeJP NA NA +PJ054819 AAPLLLEE C39H66N8O13 854.475 NA PeJP NA NA +PJ054820 APPTKRW C40H62N12O9 854.4763 NA PeJP NA NA +PJ054821 CKHRRR C33H62N18O7S 854.477 NA PeJP NA NA +PJ054822 SVLLMHR C37H66N12O9S 854.4797 NA PeJP NA NA +PJ054823 AAPERRR C34H62N16O10 854.4835 NA PeJP NA NA +PJ054824 STTKKKY C38H66N10O12 854.4862 NA PeJP NA NA +PJ054825 PLQRRW C39H62N14O8 854.4875 NA PeJP NA NA +PJ054826 GAPLRRW C39H62N14O8 854.4876 NA PeJP NA NA +PJ054827 PVVLLEW C43H66N8O10 854.4902 NA PeJP NA NA +PJ054828 APPKMRR C36H66N14O8S 854.4909 NA PeJP NA NA +PJ054829 APPTLLLM C40H70N8O10S 854.4936 NA PeJP NA NA +PJ054830 PDRRRR C33H62N18O9 854.4948 NA PeJP NA NA +PJ054831 PPTKKER C37H66N12O11 854.4974 NA PeJP NA NA +PJ054832 GGPVLKER C37H66N12O11 854.4975 NA PeJP NA NA +PJ054833 SPPLKKW C42H66N10O9 854.5015 NA PeJP NA NA +PJ054834 KKMHRR C35H66N16O7S 854.5022 NA PeJP NA NA +MJ096258 12-Oleanene-3,21,28-triol, 28-O-[?-D-Arabinopyranosyl-(1?3)-?-D-arabinopyranosyl-(1?3)-?-D-arabinopyranoside] C45H74O15 854.502771 NA MeJP NA NA +PJ054835 TLLLKMH C39H70N10O9S 854.5048 NA PeJP NA NA +PJ054836 GPLKERR C36H66N14O10 854.5087 NA PeJP NA NA +PJ054837 GPTLLLLE C40H70N8O12 854.5114 NA PeJP NA NA +MJ096259 Isoxuxuarine A? C56H70O7 854.512154 NA MeJP NA NA +MJ096260 Umbellatin ? C56H70O7 854.512154 NA MeJP NA NA +MJ096261 Xuxuarine B?; 22,22'-Dideoxy C56H70O7 854.512154 NA MeJP NA NA +PJ054838 GPVLKRW C41H66N12O8 854.5127 NA PeJP NA NA +MJ096262 Foromacidin A; 17-Methylene C44H74N2O14 854.514005 NA MeJP NA NA +PJ054839 PPVKKMR C38H70N12O8S 854.5161 NA PeJP NA NA +PJ054840 GPTLRRR C35H66N16O9 854.5199 NA PeJP NA NA +PJ054841 PLLQKKE C39H70N10O11 854.5226 NA PeJP NA NA +PJ054842 PLKRRW C40H66N14O7 854.5239 NA PeJP NA NA +PJ054843 PTLLLLW C44H70N8O9 854.5266 NA PeJP NA NA +PJ054844 GPVLLLLM C41H74N8O9S 854.53 NA PeJP NA NA +PJ054845 PVVKKER C38H70N12O10 854.5338 NA PeJP NA NA +PJ054846 APLLKKW C43H70N10O8 854.5378 NA PeJP NA NA +PJ054847 PVVVKKW C43H70N10O8 854.5379 NA PeJP NA NA +MJ096263 Stigmast-4-en-3-ol, O-[?-D-Apiofuranosyl-(1?6)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] C46H78O14 854.539157 NA MeJP NA NA +MJ096264 Stigmast-4-en-3-ol, O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?6)]-?-D-glucopyranoside] C46H78O14 854.539157 NA MeJP NA NA +MJ096265 Lydicamycin C47H74N4O10 854.540494 NA MeJP NA NA +PJ054848 PLLLLMR C40H74N10O8S 854.5412 NA PeJP NA NA +PJ054849 SPVLKRR C37H70N14O9 854.5451 NA PeJP NA NA +PJ054850 AAILLLLE C41H74N8O11 854.5477 NA PeJP NA NA +PJ054851 AALLLLLE C41H74N8O11 854.5478 NA PeJP NA NA +PJ054852 AALLRRR C36H70N16O8 854.5563 NA PeJP NA NA +PJ054853 VLLLLER C40H74N10O10 854.559 NA PeJP NA NA +PJ054854 VVLLLLW C45H74N8O8 854.563 NA PeJP NA NA +PJ054855 VLRRRR C35H70N18O7 854.5675 NA PeJP NA NA +PJ054856 PTLLKKR C39H74N12O9 854.5702 NA PeJP NA NA +PJ054857 GLLLKRR C38H74N14O8 854.5814 NA PeJP NA NA +PJ054858 GTLLLLLL C42H78N8O10 854.5841 NA PeJP NA NA +PJ054859 LLLLQKK C41H78N10O9 854.5954 NA PeJP NA NA +PJ054860 VVLLKKR C40H78N12O8 854.6066 NA PeJP NA NA +PJ054861 LLLLKKK C42H82N10O8 854.6317 NA PeJP NA NA +HMDB05363 TG(16:0/16:0/20:4(5Z,8Z,11Z,14Z))[iso3] C55H98O6 854.736328 NA HMDB2010 NA NA +HMDB05390 TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C55H98O6 854.736328 NA HMDB2010 NA NA +HMDB05440 TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6] C55H98O6 854.736328 NA HMDB2010 NA NA +HMDB10440 TG(18:1(11Z)/16:0/18:3(9Z,12Z,15Z))[iso6] C55H98O6 854.736328 NA HMDB2010 NA NA +HMDB10444 TG(18:1(11Z)/16:1(9Z)/18:2(9Z,12Z))[iso6] C55H98O6 854.736328 NA HMDB2010 NA NA +HMDB10451 TG(18:1(9Z)/16:0/18:3(9Z,12Z,15Z))[iso6] C55H98O6 854.736328 NA HMDB2010 NA NA +HMDB05363 TG(16:0/16:0/20:4(5Z,8Z,11Z,14Z))[iso3] C55H98O6 854.73633 http://www.hmdb.ca/metabolites/HMDB05363 HMDB NA NA +HMDB05390 TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C55H98O6 854.73633 http://www.hmdb.ca/metabolites/HMDB05390 HMDB NA NA +HMDB05440 TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6] C55H98O6 854.73633 http://www.hmdb.ca/metabolites/HMDB05440 HMDB NA NA +HMDB05363 TG(16:0/16:0/20:4(5Z,8Z,11Z,14Z))[iso3] C55H98O6 854.73633 HMDB05363 PFEM_hmdb_metabocards_official NA NA +HMDB05390 TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C55H98O6 854.73633 HMDB05390 PFEM_hmdb_metabocards_official NA NA +HMDB05440 TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6] C55H98O6 854.73633 HMDB05440 PFEM_hmdb_metabocards_official NA NA +MJ096266 (S)-3-Hydroxyisobutyryl-CoA C25H44N7O18P3S 855.167637 NA MeJP NA NA +PJ054862 CCCCMMY C31H49N7O9S6 855.1916 NA PeJP NA NA +PJ054863 GCCCCCQH C28H45N11O10S5 855.1955 NA PeJP NA NA +PJ054864 GCCNDDDD C28H41N9O18S2 855.2011 NA PeJP NA NA +PJ054865 GGGCCDDDD C28H41N9O18S2 855.2012 NA PeJP NA NA +MJ096267 3-Hydroxyisopentyl-CoA C26H48N7O17P3S 855.204023 NA MeJP NA NA +PJ054866 CCCCDFY C34H45N7O11S4 855.206 NA PeJP NA NA +PJ054867 SSCCCCNH C28H45N11O12S4 855.2132 NA PeJP NA NA +PJ054868 SPCCCNDD C29H45N9O15S3 855.2198 NA PeJP NA NA +PJ054869 CCCEMMH C30H49N9O10S5 855.2206 NA PeJP NA NA +PJ054870 SCCCDYY C34H45N7O13S3 855.2238 NA PeJP NA NA +PJ054871 CCCCMFF C35H49N7O8S5 855.2247 NA PeJP NA NA +PJ054872 DDDDDMM C30H45N7O18S2 855.2263 NA PeJP NA NA +PJ054873 GCCCNNNE C28H45N11O14S3 855.231 NA PeJP NA NA +PJ054874 GCCCCCKH C29H49N11O9S5 855.2319 NA PeJP NA NA +PJ054875 CCCDEHF C33H45N9O12S3 855.235 NA PeJP NA NA +PJ054876 GSCNDDDM C29H45N9O17S2 855.2375 NA PeJP NA NA +PJ054877 GPCCCNEM C30H49N9O12S4 855.2384 NA PeJP NA NA +PJ054878 DDDDDDF C33H41N7O20 855.2407 NA PeJP NA NA +PJ054879 ACCCMYY C35H49N7O10S4 855.2424 NA PeJP NA NA +PJ054880 CDDDDHH C31H41N11O16S 855.2454 NA PeJP NA NA +PJ054881 CCCNNNW C32H45N11O11S3 855.2462 NA PeJP NA NA +PJ054882 GGCCCNNW C32H45N11O11S3 855.2463 NA PeJP NA NA +PJ054883 SSCCNNND C28H45N11O16S2 855.2487 NA PeJP NA NA +PJ054884 GGSSCCNND C28H45N11O16S2 855.2488 NA PeJP NA NA +MJ096268 Phalamycin C36H41N9O14S 855.249367 NA MeJP NA NA +PJ054885 GPCCCCDR C29H49N11O11S4 855.2496 NA PeJP NA NA +PJ054886 SCCNDEW C33H45N9O14S2 855.2528 NA PeJP NA NA +PJ054887 PCCCNMW C34H49N9O9S4 855.2536 NA PeJP NA NA +PJ054888 GGPCCCMW C34H49N9O9S4 855.2537 NA PeJP NA NA +PJ054889 SSSCNDDE C29H45N9O19S 855.2553 NA PeJP NA NA +PJ054890 CNNDEMM C30H49N9O14S3 855.2561 NA PeJP NA NA +PJ054891 GGCNDEMM C30H49N9O14S3 855.2562 NA PeJP NA NA +PJ054892 TCCMMMH C31H53N9O9S5 855.257 NA PeJP NA NA +PJ054893 PCDDDEY C34H45N7O17S 855.2593 NA PeJP NA NA +PJ054894 SSCCMYY C35H49N7O12S3 855.2602 NA PeJP NA NA +PJ054895 SDDEEMM C31H49N7O17S2 855.2627 NA PeJP NA NA +PJ054896 PCDEMMM C32H53N7O12S4 855.2635 NA PeJP NA NA +PJ054897 CCNDDMR C29H49N11O13S3 855.2674 NA PeJP NA NA +PJ054898 GSCCDWW C37H45N9O11S2 855.268 NA PeJP NA NA +PJ054899 GSSSCDDW C33H45N9O16S 855.2705 NA PeJP NA NA +PJ054900 GGGACDDDF C33H45N9O16S 855.2706 NA PeJP NA NA +PJ054901 GCNDMMW C34H49N9O11S3 855.2714 NA PeJP NA NA +PJ054902 GSSSSSDDD C29H45N9O21 855.273 NA PeJP NA NA +PJ054903 GSSNDDMM C30H49N9O16S2 855.2739 NA PeJP NA NA +PJ054904 GSPCCQMM C31H53N9O11S4 855.2748 NA PeJP NA NA +PJ054905 CCNNEHH C31H45N13O12S2 855.2752 NA PeJP NA NA +PJ054906 GGCCNEHH C31H45N13O12S2 855.2753 NA PeJP NA NA +PJ054907 ACCCFFY C39H49N7O9S3 855.2754 NA PeJP NA NA +PJ054908 GDDEEEY C34H45N7O19 855.2771 NA PeJP NA NA +PJ054909 PCDDEMF C35H49N7O14S2 855.2779 NA PeJP NA NA +PJ054910 GSCCCNNR C28H49N13O12S3 855.2786 NA PeJP NA NA +PJ054911 GEEEMMM C32H53N7O14S3 855.2813 NA PeJP NA NA +PJ054912 CNNNNDY C32H45N11O15S 855.2818 NA PeJP NA NA +PJ054913 GCCCERW C33H49N11O10S3 855.2826 NA PeJP NA NA +PJ054914 GSSCCDER C29H49N11O15S2 855.2851 NA PeJP NA NA +PJ054915 GGGGGGSSSCM C29H49N11O15S2 855.2852 NA PeJP NA NA +PJ054916 GCNDDFW C37H45N9O13S 855.2858 NA PeJP NA NA +PJ054917 GSPCCCMR C30H53N11O10S4 855.286 NA PeJP NA NA +PJ054918 CCQMWW C38H49N9O8S3 855.2867 NA PeJP NA NA +PJ054919 SNNDDEY C33H45N9O18 855.2883 NA PeJP NA NA +PJ054920 STCCQEW C34H49N9O13S2 855.2891 NA PeJP NA NA +PJ054921 SSCNEMW C34H49N9O13S2 855.2892 NA PeJP NA NA +PJ054922 GCMMMHF C35H53N9O8S4 855.29 NA PeJP NA NA +PJ054923 GCCNHHW C35H45N13O9S2 855.2905 NA PeJP NA NA +PJ054924 SSSSNDEM C30H49N9O18S 855.2916 NA PeJP NA NA +PJ054925 GGSSSSDEM C30H49N9O18S 855.2917 NA PeJP NA NA +PJ054926 DDEEYW C38H45N7O16 855.2923 NA PeJP NA NA +PJ054927 SNNEMMM C31H53N9O13S3 855.2925 NA PeJP NA NA +PJ054928 GSSCNDHH C31H45N13O14S 855.293 NA PeJP NA NA +PJ054929 CNMYYY C39H49N7O11S2 855.2932 NA PeJP NA NA +PJ054930 SPDDEMY C35H49N7O16S 855.2957 NA PeJP NA NA +PJ054931 EEMMMW C36H53N7O11S3 855.2966 NA PeJP NA NA +PJ054932 CCCRWW C37H49N11O7S3 855.2979 NA PeJP NA NA +PJ054933 STEEEMM C32H53N7O16S2 855.299 NA PeJP NA NA +PJ054934 TTDEEMM C32H53N7O16S2 855.2991 NA PeJP NA NA +PJ054935 GSPNDDDH C32H45N11O17 855.2995 NA PeJP NA NA +PJ054936 SPEMMMM C33H57N7O11S4 855.2999 NA PeJP NA NA +PJ054937 SSCCDRW C33H49N11O12S2 855.3004 NA PeJP NA NA +PJ054938 SSSSCDDR C29H49N11O17S 855.3029 NA PeJP NA NA +PJ054939 GSNDDYW C37H45N9O15 855.3035 NA PeJP NA NA +PJ054940 GGGSDDYW C37H45N9O15 855.3036 NA PeJP NA NA +PJ054941 SCNDMMR C30H53N11O12S3 855.3038 NA PeJP NA NA +PJ054942 GSSCMWW C38H49N9O10S2 855.3044 NA PeJP NA NA +PJ054943 GSSSSDMW C34H49N9O15S 855.3069 NA PeJP NA NA +PJ054944 GSNMMMW C35H53N9O10S3 855.3078 NA PeJP NA NA +PJ054945 GSSSSSSEE C30H49N9O20 855.3094 NA PeJP NA NA +MJ096269 Astrotrichilin 1 C46H49NO15 855.310219 NA MeJP NA NA +PJ054946 GSSSQEMM C31H53N9O15S2 855.3103 NA PeJP NA NA +PJ054947 NNNNDEH C31H45N13O16 855.3108 NA PeJP NA NA +PJ054948 DEEMFW C39H49N7O13S 855.3109 NA PeJP NA NA +PJ054949 ANQMMMM C32H57N9O10S4 855.3111 NA PeJP NA NA +PJ054950 GQQMMMM C32H57N9O10S4 855.3112 NA PeJP NA NA +PJ054951 SCNQMHH C32H49N13O11S2 855.3116 NA PeJP NA NA +PJ054952 GTEEEEY C35H49N7O18 855.3134 NA PeJP NA NA +PJ054953 GPEEMMY C36H53N7O13S2 855.3143 NA PeJP NA NA +PJ054954 GDDEHHF C36H45N11O14 855.3148 NA PeJP NA NA +PJ054955 SCCCERR C29H53N13O11S3 855.315 NA PeJP NA NA +PJ054956 PPCMMMF C37H57N7O8S4 855.3152 NA PeJP NA NA +PJ054957 PPCCNHW C37H49N11O9S2 855.3156 NA PeJP NA NA +PJ054958 DMMHHW C37H49N11O9S2 855.3157 NA PeJP NA NA +PJ054959 SVEEMMM C33H57N7O13S3 855.3177 NA PeJP NA NA +PJ054960 ACNDDRY C33H49N11O14S 855.3181 NA PeJP NA NA +PJ054961 GCNDERY C33H49N11O14S 855.3182 NA PeJP NA NA +PJ054962 PCLMMMM C34H61N7O8S5 855.3186 NA PeJP NA NA +PJ054963 GTCCMRW C34H53N11O9S3 855.319 NA PeJP NA NA +PJ054964 GCEHHHH C34H45N15O10S 855.3195 NA PeJP NA NA +PJ054965 SSSSSSSNN C29H49N11O19 855.3206 NA PeJP NA NA +PJ054966 GGGGSSSSSSS C29H49N11O19 855.3207 NA PeJP NA NA +PJ054967 GSSSCEMR C30H53N11O14S2 855.3215 NA PeJP NA NA +PJ054968 SSSTCWW C38H49N9O12S 855.3222 NA PeJP NA NA +PJ054969 GCQMMMR C31H57N11O9S4 855.3224 NA PeJP NA NA +PJ054970 SCCNHHR C31H49N15O10S2 855.3229 NA PeJP NA NA +PJ054971 CCKMWW C39H53N9O7S3 855.323 NA PeJP NA NA +PJ054972 SSSSSSEW C34H49N9O17 855.3247 NA PeJP NA NA +PJ054973 SSSQMMW C35H53N9O12S2 855.3255 NA PeJP NA NA +PJ054974 GGGGSPMMY C35H53N9O12S2 855.3256 NA PeJP NA NA +PJ054975 GNNNDHW C35H45N13O13 855.326 NA PeJP NA NA +PJ054976 CNFFYY C43H49N7O10S 855.3262 NA PeJP NA NA +PJ054977 SSSSTQEM C31H53N9O17S 855.328 NA PeJP NA NA +PJ054978 TEEEYW C39H49N7O15 855.3287 NA PeJP NA NA +PJ054979 SNDKMMM C32H57N9O12S3 855.3289 NA PeJP NA NA +PJ054980 PCNDDHR C32H49N13O13S 855.3294 NA PeJP NA NA +PJ054981 PEMMYW C40H53N7O10S2 855.3296 NA PeJP NA NA +PJ054982 DDHHFW C40H45N11O11 855.33 NA PeJP NA NA +MJ096270 Sulfurmycin A; 10-Hydroxy C43H53NO17 855.331349 NA MeJP NA NA +PJ054983 GVEEEMY C36H53N7O15S 855.3321 NA PeJP NA NA +PJ054984 SPPMMMY C37H57N7O10S3 855.3329 NA PeJP NA NA +PJ054985 CNDRYW C37H49N11O11S 855.3334 NA PeJP NA NA +PJ054986 GCCMMRR C30H57N13O8S4 855.3336 NA PeJP NA NA +PJ054987 CHHHHW C38H45N15O7S 855.3348 NA PeJP NA NA +PJ054988 SSNDDRY C33H49N11O16 855.3359 NA PeJP NA NA +PJ054989 ALEMMMM C34H61N7O10S4 855.3363 NA PeJP NA NA +PJ054990 SSSCMRW C34H53N11O11S2 855.3368 NA PeJP NA NA +PJ054991 SSDHHHH C34H45N15O12 855.3373 NA PeJP NA NA +PJ054992 GNMYWW C42H49N9O9S 855.3374 NA PeJP NA NA +8275 Antioxidative peptide PMDYMVT 855.3377 NA ;SYN:(2S,5R)-2,6-diamino-5-hydroxyhexanoic acid; (2S,5R)-5-hydroxylysine; 5-hydroxy-L-lysine; Alpha,epsilon-diamino-delta-hydroxycaproic acid; Delta-DL-hydroxylysine; erythro-5-hydroxy-L-lysine; Hydroxylysine; hydroxy-Lysine; L-normal-5-hydroxylysine; procollagen 5-hydroxy-L-lysine; Procollagen L-erythro-5-hydroxy-L-lysine; (5R)-5-hydroxy-L-lysine; L-d-Hydroxylysine; 5-hydroxy-Lysine; d-Hydroxy-L-lysine; d-Hydroxylysine; L-delta-Hydroxylysine; delta-Hydroxy-L-lysine; delta-Hydroxylysine; (2S,5R)-2,6-diamino-5-hydroxyhexanoate; Alpha,epsilon-diamino-delta-hydroxycaproateH2Blood; Urine Inhouse_peptide NA peptide +8276 Anticancer peptide PMDYMVT 855.3377 NA ;SYN:(-)-2-Aminobutyric acid; (2S)-2-aminobutanoic acid; (S)-2-Aminobutanoate; (S)-2-Aminobutanoic acid; (S)-2-Aminobutyric acid; 2S-amino-butanoic acid; 2-Aminobutanoic acid; Alpha-aminobutyric acid; L-(+)-2-aminobutyric acid; L-2-Aminobuttersaeure; L-2-Aminobutyric acid; L-alpha-amino-n-butyric acid; L-alpha-aminobutyrate; L-butyrine; S-Butyrine; (S)-2-amino-Butanoic acid; (+)-2-Aminobutanoic acid; (+)-2-Aminobutyric acid; (+)-alpha-Aminobutyric acid; (S)-(+)-alpha-Aminobutyric acid; L-2-Amino-n-butyric acid; L-a-aminobutyric acid; L-Ethylglycine; (2S)-2-aminobutanoate; 2S-amino-butanoate; 2-Aminobutanoate; (S)-2-amino-Butanoate; (+)-2-Aminobutanoate; L-alpha-aminobutyric acid; 2-aminobutyrateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ054993 SSSSSDMR C30H53N11O16S 855.3393 NA PeJP NA NA +PJ054994 GSSQEYW C38H49N9O14 855.3399 NA PeJP NA NA +PJ054995 GGGGGEEFF C38H49N9O14 855.34 NA PeJP NA NA +PJ054996 SSNMMMR C31H57N11O11S3 855.3401 NA PeJP NA NA +PJ054997 GGSSMMMR C31H57N11O11S3 855.3402 NA PeJP NA NA +PJ054998 GPCCKYW C39H53N9O9S2 855.3408 NA PeJP NA NA +PJ054999 GSSSTTMW C35H53N9O14S 855.3433 NA PeJP NA NA +PJ055000 GQYYYY C43H49N7O12 855.3439 NA PeJP NA NA +PJ055001 PDEFYW C43H49N7O12 855.344 NA PeJP NA NA +PJ055002 GTCKMMW C36H57N9O9S3 855.3442 NA PeJP NA NA +PJ055003 GNNMHHF C36H49N13O10S 855.3446 NA PeJP NA NA +PJ055004 GGGNMHHF C36H49N13O10S 855.3447 NA PeJP NA NA +PJ055005 GSSSSTTTE C31H53N9O19 855.3458 NA PeJP NA NA +MJ096271 Taxol?; 9?-Alcohol C47H53NO14 855.346605 NA MeJP NA NA +PJ055006 GSSSKEMM C32H57N9O14S2 855.3467 NA PeJP NA NA +PJ055007 ANDDEHR C32H49N13O15 855.3471 NA PeJP NA NA +PJ055008 GNDEEHR C32H49N13O15 855.3472 NA PeJP NA NA +PJ055009 VEEMYW C40H53N7O12S 855.3473 NA PeJP NA NA +PJ055010 GQKMMMM C33H61N9O9S4 855.3475 NA PeJP NA NA +PJ055011 GGAKMMMM C33H61N9O9S4 855.3476 NA PeJP NA NA +PJ055012 GCCDFRR C33H53N13O10S2 855.348 NA PeJP NA NA +PJ055013 PCQHWW C41H49N11O8S 855.3487 NA PeJP NA NA +PJ055014 SSLEEEY C36H53N7O17 855.3498 NA PeJP NA NA +PJ055015 SPVEMMY C37H57N7O12S2 855.3507 NA PeJP NA NA +PJ055016 QQEEHW C37H49N11O13 855.3512 NA PeJP NA NA +PJ055017 STCCMRR C30H57N13O10S3 855.3514 NA PeJP NA NA +8121 peptide derived from blue fermented mussel sauce (Mytilus edulis) HFGDPFH 855.3519 anticancer Inhouse_peptide NA peptide +PJ055018 CNMFRW C38H53N11O8S2 855.352 NA PeJP NA NA +PJ055019 TTLEMMM C34H61N7O12S3 855.3541 NA PeJP NA NA +PJ055020 GSNEMRY C34H53N11O13S 855.3545 NA PeJP NA NA +PJ055021 GGGGGGTCKY C34H53N11O13S 855.3546 NA PeJP NA NA +PJ055022 SSQYWW C42H49N9O11 855.3552 NA PeJP NA NA +PJ055023 PCCCKFR C35H57N11O8S3 855.3554 NA PeJP NA NA +PJ055024 GTMHHHH C35H49N15O9S 855.3559 NA PeJP NA NA +PJ055025 GSSSTMMR C31H57N11O13S2 855.3579 NA PeJP NA NA +PJ055026 SNNNDHR C31H49N15O14 855.3584 NA PeJP NA NA +PJ055027 TQQMYW C39H53N9O11S 855.3585 NA PeJP NA NA +PJ055028 NDKMYW C39H53N9O11S 855.3586 NA PeJP NA NA +PJ055029 GCKMMMR C32H61N11O8S4 855.3588 NA PeJP NA NA +PJ055030 SSSSTTTW C35H53N9O16 855.361 NA PeJP NA NA +PJ055031 GGSSKEEY C35H53N9O16 855.3611 NA PeJP NA NA +PJ055032 SSSKMMW C36H57N9O11S2 855.3619 NA PeJP NA NA +PJ055033 NDEHRW C36H49N13O12 855.3624 NA PeJP NA NA +PJ055034 PPMYYW C44H53N7O9S 855.3626 NA PeJP NA NA +PJ055035 SSSSTKEM C32H57N9O16S 855.3644 NA PeJP NA NA +PJ055036 GPVEEYY C40H53N7O14 855.3651 NA PeJP NA NA +PJ055037 STQKMMM C33H61N9O11S3 855.3653 NA PeJP NA NA +PJ055038 GSCDRRY C33H53N13O12S 855.3658 NA PeJP NA NA +PJ055039 APPMMFY C41H57N7O9S2 855.3659 NA PeJP NA NA +PJ055040 LEMMFW C41H57N7O9S2 855.366 NA PeJP NA NA +PJ055041 AQEHWW C41H49N11O10 855.3664 NA PeJP NA NA +PJ055042 SCLLEEY C37H57N7O14S 855.3684 NA PeJP NA NA +PJ055043 ATLEEMY C37H57N7O14S 855.3685 NA PeJP NA NA +PJ055044 APLMMMY C38H61N7O9S3 855.3693 NA PeJP NA NA +PJ055045 SNMRYW C38H53N11O10S 855.3698 NA PeJP NA NA +PJ055046 GNFFWW C46H49N9O8 855.3704 NA PeJP NA NA +PJ055047 GGGFFWW C46H49N9O8 855.3705 NA PeJP NA NA +PJ055048 SSSQERY C34H53N11O15 855.3723 NA PeJP NA NA +PJ055049 SLLMMMM C35H65N7O9S4 855.3727 NA PeJP NA NA +PJ055050 QQMMRY C35H57N11O10S2 855.3732 NA PeJP NA NA +PJ055051 STTHHHH C35H49N15O11 855.3736 NA PeJP NA NA +PJ055052 GGGGPTHHH C35H49N15O11 855.3737 NA PeJP NA NA +PJ055053 ACKYWW C43H53N9O8S 855.3738 NA PeJP NA NA +PJ055054 SSSSTTMR C31H57N11O15S 855.3757 NA PeJP NA NA +PJ055055 GSSKEYW C39H53N9O13 855.3763 NA PeJP NA NA +PJ055056 STCKMMR C32H61N11O10S3 855.3765 NA PeJP NA NA +PJ055057 GNNQMHR C32H53N15O11S 855.377 NA PeJP NA NA +PJ055058 NKMMFW C40H57N9O8S2 855.3772 NA PeJP NA NA +PJ055059 GDHRWW C40H49N13O9 855.3777 NA PeJP NA NA +PJ055060 GTQKEMY C36H57N9O13S 855.3797 NA PeJP NA NA +PJ055061 PVEYYW C44H53N7O11 855.3803 NA PeJP NA NA +PJ055062 PCCKKMF C37H61N9O8S3 855.3806 NA PeJP NA NA +PJ055063 GPTCHRW C37H53N13O9S 855.381 NA PeJP NA NA +PJ055064 AAHWWW C45H49N11O7 855.3817 NA PeJP NA NA +PJ055065 SSSSSSTTL C32H57N9O18 855.3822 NA PeJP NA NA +PJ055066 GSTTTKMM C33H61N9O13S2 855.3831 NA PeJP NA NA +PJ055067 GTQEEHR C33H53N13O14 855.3835 NA PeJP NA NA +PJ055068 GGGGGSPPDR C33H53N13O14 855.3836 NA PeJP NA NA +PJ055069 SPPVMYY C41H57N7O11S 855.3837 NA PeJP NA NA +PJ055070 GKKMMMM C34H65N9O8S4 855.3839 NA PeJP NA NA +PJ055071 CQMRRY C34H57N13O9S2 855.3844 NA PeJP NA NA +PJ055072 PCKHWW C42H53N11O7S 855.3851 NA PeJP NA NA +PJ055073 TTTLEEY C37H57N7O16 855.3862 NA PeJP NA NA +PJ055074 GLLEMMY C38H61N7O11S2 855.3871 NA PeJP NA NA +PJ055075 GSSTRYW C38H53N11O12 855.3875 NA PeJP NA NA +PJ055076 GPPDERW C38H53N11O12 855.3876 NA PeJP NA NA +PJ055077 GCNNHRR C31H53N17O10S 855.3882 NA PeJP NA NA +PJ055078 GGGCNHRR C31H53N17O10S 855.3883 NA PeJP NA NA +PJ055079 AAHHHHF C39H49N15O8 855.3889 NA PeJP NA NA +PJ055080 GSDKMRY C35H57N11O12S 855.3909 NA PeJP NA NA +PJ055081 GGGGGGGPPLM C35H57N11O12S 855.391 NA PeJP NA NA +PJ055082 SSKYWW C43H53N9O10 855.3916 NA PeJP NA NA +PJ055083 GSDEHRR C32H53N15O13 855.3948 NA PeJP NA NA +PJ055084 TQKMYW C40H57N9O10S 855.3949 NA PeJP NA NA +PJ055085 GAPPPTMW C40H57N9O10S 855.395 NA PeJP NA NA +PJ055086 PPFFYW C48H53N7O8 855.3956 NA PeJP NA NA +PJ055087 SSDKKEY C36H57N9O15 855.3974 NA PeJP NA NA +PJ055088 VTLEEEH C36H57N9O15 855.3975 NA PeJP NA NA +PJ055089 GVQKMMY C37H61N9O10S2 855.3983 NA PeJP NA NA +PJ055090 TQEHRW C37H53N13O11 855.3988 NA PeJP NA NA +PJ055091 PLMFYW C45H57N7O8S 855.399 NA PeJP NA NA +PJ055092 SSTTTTKM C33H61N9O15S 855.4008 NA PeJP NA NA +PJ055093 APTLEYY C41H57N7O13 855.4015 NA PeJP NA NA +PJ055094 STKKMMM C34H65N9O10S3 855.4017 NA PeJP NA NA +PJ055095 ASTCRRY C34H57N13O11S 855.4021 NA PeJP NA NA +PJ055096 GSSMRRY C34H57N13O11S 855.4022 NA PeJP NA NA +PJ055097 LLMMYW C42H61N7O8S2 855.4023 NA PeJP NA NA +PJ055098 PPDRWW C42H53N11O9 855.4028 NA PeJP NA NA +PJ055099 STLLEMY C38H61N7O13S 855.4048 NA PeJP NA NA +PJ055100 ALLMMMF C39H65N7O8S3 855.4057 NA PeJP NA NA +PJ055101 TCKRYW C39H57N11O9S 855.4062 NA PeJP NA NA +PJ055102 SSSKERY C35H57N11O14 855.4087 NA PeJP NA NA +PJ055103 QKMMRY C36H61N11O9S2 855.4095 NA PeJP NA NA +PJ055104 GAKMMRY C36H61N11O9S2 855.4096 NA PeJP NA NA +PJ055105 SDHRRW C36H53N15O10 855.41 NA PeJP NA NA +PJ055106 KMHFFF C44H57N9O7S 855.4102 NA PeJP NA NA +PJ055107 GTTTKYW C40H57N9O12 855.4127 NA PeJP NA NA +PJ055108 QEMHRR C33H57N15O10S 855.4134 NA PeJP NA NA +PJ055109 ATHRWW C41H53N13O8 855.414 NA PeJP NA NA +PJ055110 GGPHFRW C41H53N13O8 855.4141 NA PeJP NA NA +PJ055111 GTKKEMY C37H61N9O12S 855.4161 NA PeJP NA NA +PJ055112 VLEFYW C45H57N7O10 855.4167 NA PeJP NA NA +PJ055113 VQMHRW C38H57N13O8S 855.4174 NA PeJP NA NA +PJ055114 SSSTRRY C34H57N13O13 855.4199 NA PeJP NA NA +PJ055115 GGGGGGGGGPVK C34H57N13O13 855.42 NA PeJP NA NA +PJ055116 GPLLMYY C42H61N7O10S 855.4201 NA PeJP NA NA +PJ055117 CKMRRY C35H61N13O8S2 855.4208 NA PeJP NA NA +PJ055118 AAQHHHR C35H53N17O9 855.4213 NA PeJP NA NA +PJ055119 SVLLMMY C39H65N7O10S2 855.4235 NA PeJP NA NA +PJ055120 APPTERW C39H57N11O11 855.4239 NA PeJP NA NA +PJ055121 GGGGPPTKW C39H57N11O11 855.424 NA PeJP NA NA +PJ055122 CEHRRR C32H57N17O9S 855.4246 NA PeJP NA NA +PJ055123 GTTKMRY C36H61N11O11S 855.4273 NA PeJP NA NA +PJ055124 GPPTLWW C44H57N9O9 855.428 NA PeJP NA NA +PJ055125 AMHRRW C37H57N15O7S 855.4287 NA PeJP NA NA +PJ055126 GTTEHRR C33H57N15O12 855.4311 NA PeJP NA NA +PJ055127 ASTEHRR C33H57N15O12 855.4312 NA PeJP NA NA +PJ055128 TKKMYW C41H61N9O9S 855.4313 NA PeJP NA NA +PJ055129 PLFFFW C49H57N7O7 855.432 NA PeJP NA NA +PJ055130 NHHHRR C34H53N19O8 855.4325 NA PeJP NA NA +PJ055131 STTKKEY C37H61N9O14 855.4338 NA PeJP NA NA +PJ055132 GGGPVLLDE C37H61N9O14 855.4339 NA PeJP NA NA +PJ055133 GVKKMMY C38H65N9O9S2 855.4347 NA PeJP NA NA +PJ055134 TKEHRW C38H57N13O10 855.4352 NA PeJP NA NA +PJ055135 LLMFFW C46H61N7O7S 855.4354 NA PeJP NA NA +PJ055136 SPTLLYY C42H61N7O12 855.4378 NA PeJP NA NA +PJ055137 GVLLEYY C42H61N7O12 855.4379 NA PeJP NA NA +PJ055138 AVDKMHR C35H61N13O10S 855.4385 NA PeJP NA NA +PJ055139 APPEMRR C35H61N13O10S 855.4386 NA PeJP NA NA +PJ055140 SLKHWW C43H57N11O8 855.4392 NA PeJP NA NA +PJ055141 GPPLMRW C40H61N11O8S 855.4426 NA PeJP NA NA +PJ055142 STTTKRY C36H61N11O13 855.4451 NA PeJP NA NA +PJ055143 KKMMRY C37H65N11O8S2 855.4459 NA PeJP NA NA +PJ055144 TTHRRW C37H57N15O9 855.4464 NA PeJP NA NA +PJ055145 SPPLKEW C41H61N9O11 855.4491 NA PeJP NA NA +PJ055146 KEMHRR C34H61N15O9S 855.4498 NA PeJP NA NA +PJ055147 LHHFFR C42H57N13O7 855.4504 NA PeJP NA NA +PJ055148 SSLKKMY C38H65N9O11S 855.4524 NA PeJP NA NA +PJ055149 TTTKKMF C38H65N9O11S 855.4525 NA PeJP NA NA +PJ055150 VLLYYW C46H61N7O9 855.4531 NA PeJP NA NA +PJ055151 VKMHRW C39H61N13O7S 855.4538 NA PeJP NA NA +PJ055152 GPLEERR C35H61N13O12 855.4563 NA PeJP NA NA +PJ055153 GLLLMFY C43H65N7O9S 855.4565 NA PeJP NA NA +PJ055154 GPPHHRR C36H57N17O8 855.4577 NA PeJP NA NA +PJ055155 GPVLERW C40H61N11O10 855.4603 NA PeJP NA NA +PJ055156 TMHRRR C33H61N17O8S 855.461 NA PeJP NA NA +MJ096272 Tylosin B; 2A,4A-Di-Ac C43H69NO16 855.461635 NA MeJP NA NA +PJ055157 PPVKEMR C37H65N11O10S 855.4637 NA PeJP NA NA +PJ055158 AAPLLWW C45H61N9O8 855.4643 NA PeJP NA NA +PJ055159 GPVVLWW C45H61N9O8 855.4644 NA PeJP NA NA +PJ055160 SSTLHRR C34H61N15O11 855.4675 NA PeJP NA NA +PJ055161 GGGPKERR C34H61N15O11 855.4676 NA PeJP NA NA +PJ055162 PPVVKMW C42H65N9O8S 855.4677 NA PeJP NA NA +PJ055163 PLLQKEE C38H65N9O13 855.4702 NA PeJP NA NA +PJ055164 VLLLMMH C39H69N9O8S2 855.4711 NA PeJP NA NA +PJ055165 PLERRW C39H61N13O9 855.4716 NA PeJP NA NA +PJ055166 ATLLLYY C43H65N7O11 855.4742 NA PeJP NA NA +PJ055167 SPPLMRR C36H65N13O9S 855.4749 NA PeJP NA NA +PJ055168 PVLRWW C44H61N11O7 855.4756 NA PeJP NA NA +PJ055169 GSPQRRR C33H61N17O10 855.4788 NA PeJP NA NA +PJ055170 KKMFFR C41H65N11O7S 855.479 NA PeJP NA NA +PJ055171 PTLLQER C37H65N11O12 855.4814 NA PeJP NA NA +PJ055172 PVVKEER C37H65N11O12 855.4815 NA PeJP NA NA +PJ055173 PNKRRW C38H61N15O8 855.4828 NA PeJP NA NA +PJ055174 APLLKEW C42H65N9O10 855.4855 NA PeJP NA NA +PJ055175 GCKKKHR C35H65N15O8S 855.4862 NA PeJP NA NA +PJ055176 GPPTLLKM C39H69N9O10S 855.4889 NA PeJP NA NA +PJ055177 GLLLFFF C47H65N7O8 855.4895 NA PeJP NA NA +PJ055178 SPVLERR C36H65N13O11 855.4927 NA PeJP NA NA +PJ055179 APTLLRW C41H65N11O9 855.4967 NA PeJP NA NA +MJ096273 Platenomycin Ao C44H73NO15 855.49802 NA MeJP NA NA +PJ055180 PVLLQMR C38H69N11O9S 855.5001 NA PeJP NA NA +PJ055181 GPDKKRR C35H65N15O10 855.5039 NA PeJP NA NA +HMDB12439 PS(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H74NO10P 855.505005 NA HMDB2010 NA NA +HMDB12449 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C48H74NO10P 855.505005 NA HMDB2010 NA NA +PJ055182 PLLKKEE C39H69N9O12 855.5066 NA PeJP NA NA +PJ055183 AAPKKRW C40H65N13O8 855.5079 NA PeJP NA NA +PJ055184 GVLKHFR C40H65N13O8 855.508 NA PeJP NA NA +PJ055185 APLLMRR C37H69N13O8S 855.5113 NA PeJP NA NA +PJ055186 GSPKRRR C34H65N17O9 855.5152 NA PeJP NA NA +PJ055187 PTLLKER C38H69N11O11 855.5178 NA PeJP NA NA +PJ055188 GGVLLLER C38H69N11O11 855.5179 NA PeJP NA NA +PJ055189 LKHFRR C39H65N15O7 855.5192 NA PeJP NA NA +PJ055190 SPLLLKW C43H69N9O9 855.5219 NA PeJP NA NA +PJ055191 AAPLLLKM C40H73N9O9S 855.5252 NA PeJP NA NA +PJ055192 VNRRRR C33H65N19O8 855.5264 NA PeJP NA NA +PJ055193 GLLLERR C37H69N13O10 855.5291 NA PeJP NA NA +PJ055194 GVLLLRW C42H69N11O8 855.5331 NA PeJP NA NA +PJ055195 PVLLKMR C39H73N11O8S 855.5365 NA PeJP NA NA +PJ055196 GRRRRR C32H65N21O7 855.5376 NA PeJP NA NA +PJ055197 APTKKRR C36H69N15O9 855.5403 NA PeJP NA NA +PJ055198 LLLLQKE C40H73N9O11 855.543 NA PeJP NA NA +PJ055199 LLLRRW C41H69N13O7 855.5443 NA PeJP NA NA +PJ055200 LQKRRR C35H69N17O8 855.5515 NA PeJP NA NA +PJ055201 GALKRRR C35H69N17O8 855.5516 NA PeJP NA NA +PJ055202 VVLLKER C39H73N11O10 855.5542 NA PeJP NA NA +PJ055203 VVVLLKW C44H73N9O8 855.5582 NA PeJP NA NA +PJ055204 ALLLLKW C44H73N9O8 855.5583 NA PeJP NA NA +PJ055205 SVLLLRR C38H73N13O9 855.5655 NA PeJP NA NA +EUR1015 PC 40:6 [M+Na]+ C48H84NO8P 855.575403 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1015 PC 40:6 [M+Na]+ C48H84NO8P 855.575403 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1015 PC 40:6 [M+Na]+ C48H84NO8P 855.575403 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1015 PC 40:6 [M+Na]+ C48H84NO8P 855.575403 masses lipides attendues Inhousejuil11 NA NA +PJ055206 GVLKKRR C37H73N15O8 855.5767 NA PeJP NA NA +HMDB08387 PC(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C50H82NO8P 855.57782 NA HMDB2010 NA NA +HMDB08419 PC(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C50H82NO8P 855.57782 NA HMDB2010 NA NA +HMDB08450 PC(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C50H82NO8P 855.57782 NA HMDB2010 NA NA +HMDB08451 PC(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C50H82NO8P 855.57782 NA HMDB2010 NA NA +HMDB08483 PC(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C50H82NO8P 855.57782 NA HMDB2010 NA NA +HMDB08484 PC(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C50H82NO8P 855.57782 NA HMDB2010 NA NA +HMDB08515 PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C50H82NO8P 855.57782 NA HMDB2010 NA NA +HMDB08642 PC(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C50H82NO8P 855.57782 NA HMDB2010 NA NA +HMDB08673 PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C50H82NO8P 855.57782 NA HMDB2010 NA NA +HMDB08674 PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C50H82NO8P 855.57782 NA HMDB2010 NA NA +HMDB08706 PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) C50H82NO8P 855.57782 NA HMDB2010 NA NA +HMDB08707 PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C50H82NO8P 855.57782 NA HMDB2010 NA NA +HMDB08737 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)) C50H82NO8P 855.57782 NA HMDB2010 NA NA +HMDB08738 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)) C50H82NO8P 855.57782 NA HMDB2010 NA NA +PJ055207 LLLLKKE C41H77N9O10 855.5794 NA PeJP NA NA +PJ055208 LKKRRR C36H73N17O7 855.5879 NA PeJP NA NA +PJ055209 TLLLLKR C40H77N11O9 855.5906 NA PeJP NA NA +EUR997 PC 38:4 [M+FA-H]- C46H84NO8P 855.598337 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR997 PC 38:4 [M+FA-H]- C46H84NO8P 855.598337 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR997 PC 38:4 [M+FA-H]- C46H84NO8P 855.598337 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR997 PC 38:4 [M+FA-H]- C46H84NO8P 855.598337 masses lipides attendues Inhousejuil11 NA NA +PJ055210 ALLKKKR C39H77N13O8 855.6018 NA PeJP NA NA +PJ055211 VLLKKKK C41H81N11O8 855.627 NA PeJP NA NA +EUR1140 SM(d18:1/26:5) [M+Na]+ C49H90N2O6P 855.635597 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1140 SM(d18:1/26:5) [M+Na]+ C49H90N2O6P 855.635597 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1140 SM(d18:1/26:5) [M+Na]+ C49H90N2O6P 855.635597 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1140 SM(d18:1/26:5) [M+Na]+ C49H90N2O6P 855.635597 masses lipides attendues Inhousejuil11 NA NA +EUR1132 SM(d18:1/24:4) [M+FA-H]- C47H90N2O6P 855.658531 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1132 SM(d18:1/24:4) [M+FA-H]- C47H90N2O6P 855.658531 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1132 SM(d18:1/24:4) [M+FA-H]- C47H90N2O6P 855.658531 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1132 SM(d18:1/24:4) [M+FA-H]- C47H90N2O6P 855.658531 masses lipides attendues Inhousejuil11 NA NA +HMDB09278 PE(20:1(11Z)/24:1(15Z)) C49H94NO8P 855.671692 NA HMDB2010 NA NA +HMDB09310 PE(20:2(11Z,14Z)/24:0) C49H94NO8P 855.671692 NA HMDB2010 NA NA +HMDB09503 PE(22:0/22:2(13Z,16Z)) C49H94NO8P 855.671692 NA HMDB2010 NA NA +HMDB09535 PE(22:1(13Z)/22:1(13Z)) C49H94NO8P 855.671692 NA HMDB2010 NA NA +HMDB09567 PE(22:2(13Z,16Z)/22:0) C49H94NO8P 855.671692 NA HMDB2010 NA NA +HMDB09726 PE(24:0/20:2(11Z,14Z)) C49H94NO8P 855.671692 NA HMDB2010 NA NA +HMDB09758 PE(24:1(15Z)/20:1(11Z)) C49H94NO8P 855.671692 NA HMDB2010 NA NA +HMDB08786 PC(24:0/P-18:1(11Z)) C50H98NO7P 855.708069 NA HMDB2010 NA NA +HMDB08787 PC(24:0/P-18:1(9Z)) C50H98NO7P 855.708069 NA HMDB2010 NA NA +HMDB08818 PC(24:1(15Z)/P-18:0) C50H98NO7P 855.708069 NA HMDB2010 NA NA +HMDB11264 PC(P-18:0/24:1(15Z)) C50H98NO7P 855.708069 NA HMDB2010 NA NA +HMDB11296 PC(P-18:1(11Z)/24:0) C50H98NO7P 855.708069 NA HMDB2010 NA NA +HMDB11329 PC(P-18:1(9Z)/24:0) C50H98NO7P 855.708069 NA HMDB2010 NA NA +HMDB13438 PC(o-18:2(9Z,12Z)/24:0) C50H98NO7P 855.708069 NA HMDB2010 NA NA +MJ096274 Axinellamine A; 1-Me ether C23H25Br4ClN10O4 855.848227 NA MeJP NA NA +MJ096275 Axinellamine A; 5,9-Diepimer, 1-Me ether C23H25Br4ClN10O4 855.848227 NA MeJP NA NA +3687 NA STRSESRHPFPWLL 855.932 MH2+ Inhouse_peptide NA peptide +MJ096276 Chetracin A C30H28N6O8S8 855.973427 NA MeJP NA NA +PJ055212 GCCCCCCY C29H44N8O10S6 856.1505 NA PeJP NA NA +PJ055213 GCCCCCEH C28H44N10O11S5 856.1795 NA PeJP NA NA +PJ055214 GCCDDDDD C28H40N8O19S2 856.1852 NA PeJP NA NA +PJ055215 CCCCCHW C32H44N10O8S5 856.1948 NA PeJP NA NA +PJ055216 SSCCCCDH C28H44N10O13S4 856.1973 NA PeJP NA NA +MJ096277 Arachnitannin 1 C47H36O16 856.200335 NA MeJP NA NA +PJ055217 SPCCCDDD C29H44N8O16S3 856.2038 NA PeJP NA NA +PJ055218 PPCCCCCE C30H48N8O11S5 856.2047 NA PeJP NA NA +MJ096278 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) C40H41O21(+) 856.206208 NA MeJP NA NA +PJ055219 GCCCNNDE C28H44N10O15S3 856.215 NA PeJP NA NA +PJ055220 GTCCCCMH C29H48N10O10S5 856.2159 NA PeJP NA NA +PJ055221 GSCDDDDM C29H44N8O18S2 856.2215 NA PeJP NA NA +PJ055222 GPCCCDEM C30H48N8O13S4 856.2224 NA PeJP NA NA +PJ055223 CCCNNDW C32H44N10O12S3 856.2303 NA PeJP NA NA +PJ055224 SSCCNNDD C28H44N10O17S2 856.2328 NA PeJP NA NA +PJ055225 SSSCCCMH C29H48N10O12S4 856.2336 NA PeJP NA NA +PJ055226 GGGGPTCCCC C29H48N10O12S4 856.2337 NA PeJP NA NA +PJ055227 SCCDDEW C33H44N8O15S2 856.2368 NA PeJP NA NA +PJ055228 PCCCDMW C34H48N8O10S4 856.2377 NA PeJP NA NA +MJ096279 Betanidin; 15-Epimer, 6-O-[?-D-glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C36H44N2O22 856.238571 NA MeJP NA NA +MJ096280 Betanidin; 6-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C36H44N2O22 856.238571 NA MeJP NA NA +PJ055229 SSSCDDDE C29H44N8O20S 856.2393 NA PeJP NA NA +PJ055230 CNDDEMM C30H48N8O15S3 856.2402 NA PeJP NA NA +PJ055231 PPTCCCCM C31H52N8O10S5 856.241 NA PeJP NA NA +MJ096281 Antibiotic SF 2423A C41H44O20 856.242593 NA MeJP NA NA +PJ055232 CCCNMHF C33H48N10O9S4 856.2489 NA PeJP NA NA +PJ055233 CCDDDMR C29H48N10O14S3 856.2514 NA PeJP NA NA +C06782 7-Hydroxylpradimicin A C40H44N2O19 856.2538 NA KEGG NA NA +MJ096282 Pradimicin A; 7-Hydroxy C40H44N2O19 856.253827 NA MeJP NA NA +MJ096283 Pradimicin FA 1 C40H44N2O19 856.253827 NA MeJP NA NA +PJ055234 CNDDDEF C33H44N8O17S 856.2546 NA PeJP NA NA +PJ055235 GCDDMMW C34H48N8O12S3 856.2554 NA PeJP NA NA +PJ055236 GSSDDDMM C30H48N8O17S2 856.2579 NA PeJP NA NA +PJ055237 GSPCCEMM C31H52N8O12S4 856.2588 NA PeJP NA NA +PJ055238 CCNDEHH C31H44N12O13S2 856.2593 NA PeJP NA NA +PJ055239 GSCCCNDR C28H48N12O13S3 856.2626 NA PeJP NA NA +MJ096284 Justisolin; O-[?-D-Glucopyranosyl-(1?2)[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C38H48O22 856.263723 NA MeJP NA NA +MJ096285 Sucrose; 3'-O-(4-Hydroxy-3-methoxycinnamoyl)(E-), 6-O-[4-(?-D-glucopyranosyloxy)-3-methoxycinnamoyl](E-) C38H48O22 856.263723 NA MeJP NA NA +MJ096286 Sucrose; 3'-O-(4-Hydroxy-3-methoxycinnamoyl), 6'-O-(4-?-D-glucopyranosyloxy-3-methoxycinnamoyl) C38H48O22 856.263723 NA MeJP NA NA +PJ055240 CNNNDDY C32H44N10O16S 856.2658 NA PeJP NA NA +PJ055241 SCCNNMW C33H48N10O11S3 856.2666 NA PeJP NA NA +PJ055242 GGSCCNMW C33H48N10O11S3 856.2667 NA PeJP NA NA +PJ055243 SSSCNNDM C29H48N10O16S2 856.2691 NA PeJP NA NA +PJ055244 GGSSSCNDM C29H48N10O16S2 856.2692 NA PeJP NA NA +PJ055245 GCDDDFW C37H44N8O14S 856.2698 NA PeJP NA NA +PJ055246 CNNNMMM C30H52N10O11S4 856.27 NA PeJP NA NA +PJ055247 CCEMWW C38H48N8O9S3 856.2707 NA PeJP NA NA +PJ055248 SNDDDEY C33H44N8O19 856.2723 NA PeJP NA NA +PJ055249 SSCDEMW C34H48N8O14S2 856.2732 NA PeJP NA NA +PJ055250 SPCCMMW C35H52N8O9S4 856.274 NA PeJP NA NA +PJ055251 GPPCCCMF C35H52N8O9S4 856.2741 NA PeJP NA NA +PJ055252 GCCDHHW C35H44N12O10S2 856.2745 NA PeJP NA NA +PJ055253 SSSSDDEM C30H48N8O19S 856.2757 NA PeJP NA NA +PJ055254 SNDEMMM C31H52N8O14S3 856.2765 NA PeJP NA NA +PJ055255 GGSDEMMM C31H52N8O14S3 856.2766 NA PeJP NA NA +PJ055256 GSSCDDHH C31H44N12O15S 856.277 NA PeJP NA NA +PJ055257 CDMYYY C39H48N6O12S2 856.2772 NA PeJP NA NA +PJ055258 PCNMMMM C32H56N8O9S5 856.2774 NA PeJP NA NA +PJ055259 GPTCCCHH C32H48N12O10S3 856.2779 NA PeJP NA NA +PJ055260 CCCNQMR C29H52N12O10S4 856.2812 NA PeJP NA NA +PJ055261 GGCCCQMR C29H52N12O10S4 856.2813 NA PeJP NA NA +PJ055262 GSPDDDDH C32H44N10O18 856.2836 NA PeJP NA NA +PJ055263 GSSSCCQW C33H48N10O13S2 856.2844 NA PeJP NA NA +PJ055264 GSSSSSCNE C29H48N10O18S 856.2869 NA PeJP NA NA +PJ055265 GSDDDYW C37H44N8O16 856.2876 NA PeJP NA NA +PJ055266 SCDDMMR C30H52N10O13S3 856.2878 NA PeJP NA NA +PJ055267 GPCCEYW C38H48N8O11S2 856.2884 NA PeJP NA NA +MJ096287 Perdeacylemarginatine; 1,6,8,14-Tetra-Ac C41H48N2O18 856.290212 NA MeJP NA NA +MJ096288 Perdeacylemarginatine; 1,6,8,9-Tetra-Ac C41H48N2O18 856.290212 NA MeJP NA NA +MJ096289 Perdeacylemarginatine; 6,8,9,14-Tetra-Ac C41H48N2O18 856.290212 NA MeJP NA NA +PJ055268 GNDEEMY C34H48N8O16S 856.2909 NA PeJP NA NA +PJ055269 GSDMMMW C35H52N8O11S3 856.2918 NA PeJP NA NA +PJ055270 CCCCNRR C28H52N14O9S4 856.2925 NA PeJP NA NA +PJ055271 GSSSEEMM C31H52N8O16S2 856.2943 NA PeJP NA NA +PJ055272 NNNDDEH C31H44N12O17 856.2948 NA PeJP NA NA +PJ055273 GQEMMMM C32H56N8O11S4 856.2952 NA PeJP NA NA +PJ055274 SCNEMHH C32H48N12O12S2 856.2956 NA PeJP NA NA +PJ055275 GGSCEMHH C32H48N12O12S2 856.2957 NA PeJP NA NA +PJ055276 CMMFYY C40H52N6O9S3 856.2958 NA PeJP NA NA +PJ055277 GSSCCNMR C29H52N12O12S3 856.299 NA PeJP NA NA +PJ055278 GCCNQFW C37H48N10O10S2 856.2997 NA PeJP NA NA +PJ055279 SCNNQEY C33H48N10O15S 856.3021 NA PeJP NA NA +PJ055280 SSSSSCNW C33H48N10O15S 856.3022 NA PeJP NA NA +PJ055281 SCCCQKW C34H52N10O10S3 856.303 NA PeJP NA NA +PJ055282 PCCYWW C42H48N8O8S2 856.3037 NA PeJP NA NA +PJ055283 SSSSSSSND C29H48N10O20 856.3047 NA PeJP NA NA +PJ055284 SSSSNNMM C30H52N10O15S2 856.3055 NA PeJP NA NA +PJ055285 NDEMYW C38H48N8O13S 856.3062 NA PeJP NA NA +PJ055286 GCEMMMR C31H56N10O10S4 856.3064 NA PeJP NA NA +PJ055287 SCCDHHR C31H48N14O11S2 856.3069 NA PeJP NA NA +PJ055288 TCMMWW C39H52N8O8S3 856.3071 NA PeJP NA NA +PJ055289 SSNEEEY C34H48N8O18 856.3087 NA PeJP NA NA +PJ055290 SSSEMMW C35H52N8O13S2 856.3096 NA PeJP NA NA +PJ055291 GNNDDHW C35H44N12O14 856.31 NA PeJP NA NA +PJ055292 GGGGGDDHW C35H44N12O14 856.3101 NA PeJP NA NA +PJ055293 CDFFYY C43H48N6O11S 856.3102 NA PeJP NA NA +PJ055294 QMMMMW C36H56N8O8S4 856.3104 NA PeJP NA NA +PJ055295 GSCMHHW C36H48N12O9S2 856.3109 NA PeJP NA NA +PJ055296 SSSSTEEM C31H52N8O18S 856.3121 NA PeJP NA NA +PJ055297 STQEMMM C32H56N8O13S3 856.3129 NA PeJP NA NA +PJ055298 PCDDDHR C32H48N12O14S 856.3134 NA PeJP NA NA +PJ055299 SMMYYY C40H52N6O11S2 856.3136 NA PeJP NA NA +PJ055300 GNMMMHH C33H52N12O9S3 856.3143 NA PeJP NA NA +PJ055301 SSSSCCQR C29H52N12O14S2 856.3168 NA PeJP NA NA +PJ055302 CDDRYW C37H48N10O12S 856.3174 NA PeJP NA NA +PJ055303 CCCNKMR C30H56N12O9S4 856.3176 NA PeJP NA NA +PJ055304 GGCCCKMR C30H56N12O9S4 856.3177 NA PeJP NA NA +PJ055305 SSDDDRY C33H48N10O17 856.3199 NA PeJP NA NA +PJ055306 GGGGGPPDDE C33H48N10O17 856.32 NA PeJP NA NA +PJ055307 GSSSCCKW C34H52N10O12S2 856.3208 NA PeJP NA NA +PJ055308 GDMYWW C42H48N8O10S 856.3214 NA PeJP NA NA +PJ055309 CMMMRW C35H56N10O7S4 856.3217 NA PeJP NA NA +PJ055310 GSSSSSSQM C30H52N10O17S 856.3233 NA PeJP NA NA +PJ055311 GSSEEYW C38H48N8O15 856.3239 NA PeJP NA NA +PJ055312 GGGPDEYY C38H48N8O15 856.324 NA PeJP NA NA +PJ055313 SSDMMMR C31H56N10O12S3 856.3242 NA PeJP NA NA +PJ055314 NNNNNMH C31H48N14O13S 856.3246 NA PeJP NA NA +PJ055315 GGGGGGNNMH C31H48N14O13S 856.3247 NA PeJP NA NA +PJ055316 GPTCMYW C39H52N8O10S2 856.3248 NA PeJP NA NA +PJ055317 ACCMHHR C32H52N14O8S3 856.3255 NA PeJP NA NA +PJ055318 GTQEEMY C35H52N8O15S 856.3273 NA PeJP NA NA +PJ055319 GEYYYY C43H48N6O13 856.328 NA PeJP NA NA +PJ055320 GTTMMMW C36H56N8O10S3 856.3282 NA PeJP NA NA +PJ055321 SSTCHHW C36H48N12O11S 856.3287 NA PeJP NA NA +PJ055322 CMFFFY C44H52N6O8S2 856.3288 NA PeJP NA NA +PJ055323 GSTTTEMM C32H56N8O15S2 856.3307 NA PeJP NA NA +PJ055324 SNNQEEH C32H48N12O16 856.3311 NA PeJP NA NA +PJ055325 GDDEEHR C32H48N12O16 856.3312 NA PeJP NA NA +PJ055326 SVQMMMM C33H60N8O10S4 856.3315 NA PeJP NA NA +PJ055327 GKEMMMM C33H60N8O10S4 856.3316 NA PeJP NA NA +PJ055328 GCNNMRY C33H52N12O11S2 856.332 NA PeJP NA NA +PJ055329 GGGGGGPMMH C33H52N12O11S2 856.3321 NA PeJP NA NA +PJ055330 PCEHWW C41H48N10O9S 856.3327 NA PeJP NA NA +PJ055331 GSSSSSSCR C29H52N12O16S 856.3345 NA PeJP NA NA +PJ055332 SSSNNYW C37H48N10O14 856.3352 NA PeJP NA NA +PJ055333 GSTCCCKR C30H56N12O11S3 856.3354 NA PeJP NA NA +PJ055334 GCCNKFW C38H52N10O9S2 856.336 NA PeJP NA NA +PJ055335 CDMFRW C38H52N10O9S2 856.3361 NA PeJP NA NA +PJ055336 SSNQQMY C34H52N10O14S 856.3385 NA PeJP NA NA +PJ055337 GSDEMRY C34H52N10O14S 856.3386 NA PeJP NA NA +PJ055338 SSEYWW C42H48N8O12 856.3392 NA PeJP NA NA +PJ055339 SCCCKKW C35H56N10O9S3 856.3394 NA PeJP NA NA +PJ055340 GMMFWW C43H52N8O7S2 856.3401 NA PeJP NA NA +PJ055341 SSSSSSSTQ C30H52N10O19 856.341 NA PeJP NA NA +PJ055342 SSSSCQKM C31H56N10O14S2 856.3419 NA PeJP NA NA +PJ055343 SNNDDHR C31H48N14O15 856.3424 NA PeJP NA NA +PJ055344 TQEMYW C39H52N8O12S 856.3426 NA PeJP NA NA +PJ055345 GTMMMMR C32H60N10O9S4 856.3428 NA PeJP NA NA +PJ055346 YYYYW C47H48N6O10 856.3432 NA PeJP NA NA +PJ055347 SSCMHHR C32H52N14O10S2 856.3433 NA PeJP NA NA +PJ055348 CQHHFW C40H48N12O8S 856.3439 NA PeJP NA NA +PJ055349 SSDKEEY C35H52N8O17 856.3451 NA PeJP NA NA +PJ055350 STTTMMW C36H56N8O12S2 856.3459 NA PeJP NA NA +PJ055351 GGGLEMMY C36H56N8O12S2 856.346 NA PeJP NA NA +PJ055352 DDEHRW C36H48N12O13 856.3464 NA PeJP NA NA +PJ055353 AMFYYY C44H52N6O10S 856.3466 NA PeJP NA NA +PJ055354 KMMMMW C37H60N8O7S4 856.3468 NA PeJP NA NA +PJ055355 SSTTTTEM C32H56N8O17S 856.3484 NA PeJP NA NA +PJ055356 STKEMMM C33H60N8O12S3 856.3493 NA PeJP NA NA +PJ055357 SSCNQRY C33H52N12O13S 856.3498 NA PeJP NA NA +PJ055358 AEEHWW C41H48N10O11 856.3504 NA PeJP NA NA +PJ055359 GGGGGGFYW C41H48N10O11 856.3505 NA PeJP NA NA +PJ055360 ACKMMHH C34H56N12O8S3 856.3507 NA PeJP NA NA +PJ055361 SSSSCCKR C30H56N12O13S2 856.3532 NA PeJP NA NA +PJ055362 SDMRYW C38H52N10O11S 856.3538 NA PeJP NA NA +PJ055363 GDFFWW C46H48N8O9 856.3545 NA PeJP NA NA +PJ055364 SSSEERY C34H52N10O16 856.3563 NA PeJP NA NA +PJ055365 QEMMRY C35H56N10O11S2 856.3572 NA PeJP NA NA +PJ055366 SPNEHHH C35H48N14O12 856.3577 NA PeJP NA NA +PJ055367 ATMYWW C43H52N8O9S 856.3578 NA PeJP NA NA +PJ055368 GSSSSSSKM C31H56N10O16S 856.3597 NA PeJP NA NA +PJ055369 GTTTEYW C39H52N8O14 856.3603 NA PeJP NA NA +PJ055370 STTMMMR C32H60N10O11S3 856.3605 NA PeJP NA NA +PJ055371 GSTCCKKM C32H60N10O11S3 856.3606 NA PeJP NA NA +PJ055372 GNNEMHR C32H52N14O12S 856.361 NA PeJP NA NA +PJ055373 GGGGGGGACKH C32H52N14O12S 856.3611 NA PeJP NA NA +PJ055374 VQMMYW C40H56N8O9S2 856.3612 NA PeJP NA NA +PJ055375 SNQHWW C40H48N12O10 856.3617 NA PeJP NA NA +PJ055376 CFFFFF C48H52N6O7S 856.3619 NA PeJP NA NA +PJ055377 GTKEEMY C36H56N8O14S 856.3637 NA PeJP NA NA +PJ055378 SVYYYY C44H52N6O12 856.3643 NA PeJP NA NA +PJ055379 GPKMMMY C37H60N8O9S3 856.3646 NA PeJP NA NA +PJ055380 QQQMHW C37H52N12O10S 856.365 NA PeJP NA NA +PJ055381 GGAAQMHW C37H52N12O10S 856.3651 NA PeJP NA NA +PJ055382 SSSTTLMM C33H60N8O14S2 856.3671 NA PeJP NA NA +PJ055383 GSSSSNRY C33H52N12O15 856.3675 NA PeJP NA NA +PJ055384 GTEEEHR C33H52N12O15 856.3676 NA PeJP NA NA +PJ055385 SVKMMMM C34H64N8O9S4 856.3679 NA PeJP NA NA +PJ055386 CEMRRY C34H56N12O10S2 856.3684 NA PeJP NA NA +PJ055387 GNQQHHH C34H48N16O11 856.3689 NA PeJP NA NA +PJ055388 PTMHWW C42H52N10O8S 856.3691 NA PeJP NA NA +PJ055389 QQQQYY C38H52N10O13 856.3715 NA PeJP NA NA +PJ055390 KEEEHW C38H52N10O13 856.3716 NA PeJP NA NA +PJ055391 GCNDHRR C31H52N16O11S 856.3723 NA PeJP NA NA +PJ055392 AMMRYW C39H56N10O8S2 856.3724 NA PeJP NA NA +PJ055393 GSPHHHW C39H48N14O9 856.3729 NA PeJP NA NA +PJ055394 GTTEMRY C35H56N10O13S 856.3749 NA PeJP NA NA +PJ055395 GAALEEMH C35H56N10O13S 856.375 NA PeJP NA NA +MJ096290 Doricin C43H52N8O11 856.375554 NA MeJP NA NA +PJ055396 TTTYWW C43H52N8O11 856.3756 NA PeJP NA NA +PJ055397 AAMMMFR C36H60N10O8S3 856.3758 NA PeJP NA NA +PJ055398 NNMHRW C36H52N14O9S 856.3763 NA PeJP NA NA +PJ055399 SSSSSSSTK C31H56N10O18 856.3774 NA PeJP NA NA +PJ055400 SSSSCKKM C32H60N10O13S2 856.3783 NA PeJP NA NA +PJ055401 SSNQEHR C32H52N14O14 856.3788 NA PeJP NA NA +PJ055402 VTTTCFW C40H56N8O11S 856.3789 NA PeJP NA NA +PJ055403 TKEMYW C40H56N8O11S 856.379 NA PeJP NA NA +PJ055404 AFFFYY C48H52N6O9 856.3796 NA PeJP NA NA +PJ055405 GGPCCKHR C33H56N14O9S2 856.3797 NA PeJP NA NA +PJ055406 CKHHFW C41H52N12O7S 856.3803 NA PeJP NA NA +PJ055407 STTKEEY C36H56N8O16 856.3814 NA PeJP NA NA +PJ055408 TTTDKEY C36H56N8O16 856.3815 NA PeJP NA NA +PJ055409 GVKEMMY C37H60N8O11S2 856.3823 NA PeJP NA NA +PJ055410 TEEHRW C37H52N12O12 856.3828 NA PeJP NA NA +PJ055411 PMMHRW C38H56N12O7S2 856.3837 NA PeJP NA NA +PJ055412 TTTTTTTM C33H60N8O16S 856.3848 NA PeJP NA NA +PJ055413 SSCNKRY C34H56N12O12S 856.3862 NA PeJP NA NA +PJ055414 SLEHWW C42H52N10O10 856.3868 NA PeJP NA NA +PJ055415 APCHHHR C35H52N16O8S 856.3875 NA PeJP NA NA +MJ096291 Antibiotic Mer-WF 3010 C45H60O16 856.388135 NA MeJP NA NA +MJ096292 Neoleurocristine C46H56N4O12 856.389473 NA MeJP NA NA +PJ055416 TTMRYW C39H56N10O10S 856.3902 NA PeJP NA NA +PJ055417 GVFYWW C47H52N8O8 856.3908 NA PeJP NA NA +PJ055418 GGPFFFW C47H52N8O8 856.3909 NA PeJP NA NA +PJ055419 STTTERY C35H56N10O15 856.3927 NA PeJP NA NA +PJ055420 KEMMRY C36H60N10O10S2 856.3936 NA PeJP NA NA +PJ055421 GSSQHRW C36H52N14O11 856.394 NA PeJP NA NA +PJ055422 GGGGGPNRW C36H52N14O11 856.3941 NA PeJP NA NA +PJ055423 VQMFFW C44H56N8O8S 856.3942 NA PeJP NA NA +PJ055424 SSTTLYW C40H56N8O13 856.3967 NA PeJP NA NA +PJ055425 EEMHRR C33H56N14O11S 856.3974 NA PeJP NA NA +PJ055426 VKMMYW C41H60N8O8S2 856.3976 NA PeJP NA NA +PJ055427 SNKHWW C41H52N12O9 856.398 NA PeJP NA NA +PJ055428 GGSKHWW C41H52N12O9 856.3981 NA PeJP NA NA +PJ055429 SSLKEMY C37H60N8O13S 856.4001 NA PeJP NA NA +PJ055430 GLKMMMF C38H64N8O8S3 856.401 NA PeJP NA NA +PJ055431 VEMHRW C38H56N12O9S 856.4014 NA PeJP NA NA +PJ055432 FRYWW C46H52N10O7 856.4021 NA PeJP NA NA +PJ055433 SSLEEHR C34H56N12O14 856.4039 NA PeJP NA NA +PJ055434 GGGGPVEER C34H56N12O14 856.404 NA PeJP NA NA +PJ055435 TMMRRY C35H60N12O9S2 856.4048 NA PeJP NA NA +PJ055436 AAEHHHR C35H52N16O10 856.4053 NA PeJP NA NA +PJ055437 VVMHWW C43H56N10O7S 856.4055 NA PeJP NA NA +PJ055438 ATTLEHW C39H56N10O12 856.4079 NA PeJP NA NA +PJ055439 SSVLEHW C39H56N10O12 856.408 NA PeJP NA NA +PJ055440 GSNMHRR C32H56N16O10S 856.4086 NA PeJP NA NA +PJ055441 GGGSMHRR C32H56N16O10S 856.4087 NA PeJP NA NA +MJ096293 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-D-ribo-hexopyranoside] C42H64O18 856.409265 NA MeJP NA NA +MJ096294 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1??)-2,6-dideoxy-3-O-methyl-D-arabino-hexopyranoside] C42H64O18 856.409265 NA MeJP NA NA +MJ096295 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1??)-2,6-dideoxy-3-O-methyl-D-ribo-hexopyranoside] C42H64O18 856.409265 NA MeJP NA NA +MJ096296 Oleagenin; 3-O-[?-D-Glucopyranosyl(1?6)-?-D-glucopyranosyl(1?4)-D-digitaloside] C42H64O18 856.409265 NA MeJP NA NA +MJ096297 Thevetiogenin; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] C42H64O18 856.409265 NA MeJP NA NA +MJ096298 Thevetiogenin; 5-Epimer, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-3-O-methyl-?-L-rhamnopyranoside] C42H64O18 856.409265 NA MeJP NA NA +PJ055442 LQHHHW C40H52N14O8 856.4093 NA PeJP NA NA +7885 peptide from soybean b-conglycinin (Glycine max) LNSGDALRVPSGTTYY 856.4109 MH2+ Inhouse_peptide NA peptide +PJ055443 SSTLMRY C36H60N10O12S 856.4113 NA PeJP NA NA +PJ055444 PTKYYW C44H56N8O10 856.412 NA PeJP NA NA +PJ055445 CQKHRW C37H56N14O8S 856.4127 NA PeJP NA NA +PJ055446 GPNEERR C33H56N14O13 856.4152 NA PeJP NA NA +PJ055447 PPCLLEW C41H60N8O10S 856.4153 NA PeJP NA NA +PJ055448 PPVVEMW C41H60N8O10S 856.4154 NA PeJP NA NA +PJ055449 DHHHRR C34H52N18O9 856.4165 NA PeJP NA NA +PJ055450 SSSSTLLY C37H60N8O15 856.4178 NA PeJP NA NA +PJ055451 PLLQEEE C37H60N8O15 856.4179 NA PeJP NA NA +PJ055452 ATLKMMY C38H64N8O10S2 856.4187 NA PeJP NA NA +PJ055453 AAPQERW C38H56N12O11 856.4192 NA PeJP NA NA +PJ055454 SVQQKMH C35H60N12O11S 856.4225 NA PeJP NA NA +PJ055455 ATLEMHR C35H60N12O11S 856.4226 NA PeJP NA NA +PJ055456 GSPPKWW C43H56N10O9 856.4232 NA PeJP NA NA +MJ096299 24(23?22)-Abeo-16,23-epoxy-3,23-dihydroxycholesta-5,24-dien-18-al, 3-O-[4-Hydroxybenzoyl-(?4)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C46H64O15 856.424521 NA MeJP NA NA +PJ055457 SSSQHRR C32H56N16O12 856.4264 NA PeJP NA NA +PJ055458 GTLLMHW C40H60N10O9S 856.4266 NA PeJP NA NA +PJ055459 LHFFFF C48H56N8O7 856.4272 NA PeJP NA NA +PJ055460 GSSSTKKY C36H60N10O14 856.4291 NA PeJP NA NA +PJ055461 GCKKKMY C37H64N10O9S2 856.43 NA PeJP NA NA +PJ055462 PNERRW C37H56N14O10 856.4304 NA PeJP NA NA +PJ055463 VKMFFW C45H60N8O7S 856.4306 NA PeJP NA NA +PJ055464 APLLEEW C41H60N8O12 856.4331 NA PeJP NA NA +PJ055465 SPPNMRR C34H60N14O10S 856.4338 NA PeJP NA NA +PJ055466 PVNRWW C42H56N12O8 856.4344 NA PeJP NA NA +PJ055467 GGPVRWW C42H56N12O8 856.4345 NA PeJP NA NA +PJ055468 TTTLKMY C38H64N8O12S 856.4365 NA PeJP NA NA +PJ055469 APPCKRW C39H60N12O8S 856.4378 NA PeJP NA NA +PJ055470 TTTLEHR C35H60N12O13 856.4403 NA PeJP NA NA +PJ055471 GGGGGGGGGVLL C35H60N12O13 856.4404 NA PeJP NA NA +PJ055472 GLLMMHR C36H64N12O8S2 856.4412 NA PeJP NA NA +PJ055473 NQHFRR C36H56N16O9 856.4417 NA PeJP NA NA +PJ055474 STTLLHW C40H60N10O11 856.4443 NA PeJP NA NA +PJ055475 GGAPLKEW C40H60N10O11 856.4444 NA PeJP NA NA +PJ055476 GTCKHRR C33H60N16O9S 856.445 NA PeJP NA NA +MJ096300 2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester, 30-Me ester C43H68O17 856.44565 NA MeJP NA NA +PJ055477 GPRRWW C41H56N14O7 856.4457 NA PeJP NA NA +PJ055478 STCKKKY C37H64N10O11S 856.4477 NA PeJP NA NA +PJ055479 VVKYYW C45H60N8O9 856.4484 NA PeJP NA NA +PJ055480 CKKHRW C38H60N14O7S 856.4491 NA PeJP NA NA +PJ055481 APTQERR C34H60N14O12 856.4515 NA PeJP NA NA +PJ055482 GPDKERR C34H60N14O12 856.4516 NA PeJP NA NA +PJ055483 PPTLLMW C42H64N8O9S 856.4517 NA PeJP NA NA +MJ096301 Antibiotic 66-40C C38H64N8O14 856.454198 NA MeJP NA NA +MJ096302 Aurantimycin A C38H64N8O14 856.454198 NA MeJP NA NA +MJ096303 Diperamycin C38H64N8O14 856.454198 NA MeJP NA NA +PJ055484 PLLKEEE C38H64N8O14 856.4542 NA PeJP NA NA +PJ055485 GPPVLLMM C39H68N8O9S2 856.4551 NA PeJP NA NA +PJ055486 AAPKERW C39H60N12O10 856.4556 NA PeJP NA NA +MJ096304 Antibiotic G 83 C42H68N2O16 856.456884 NA MeJP NA NA +PJ055487 STLLMHR C36H64N12O10S 856.4589 NA PeJP NA NA +PJ055488 GAPPTKMR C36H64N12O10S 856.459 NA PeJP NA NA +PJ055489 PLQKWW C44H60N10O8 856.4596 NA PeJP NA NA +MJ096305 Avermectin B1b; 5-Ketone C47H68O14 856.460906 NA MeJP NA NA +MJ096306 Vindolidine C48H64N4O10 856.462244 NA MeJP NA NA +PJ055490 GSPERRR C33H60N16O11 856.4628 NA PeJP NA NA +PJ055491 APPKKMW C41H64N10O8S 856.463 NA PeJP NA NA +PJ055492 PTLLEER C37H64N10O13 856.4655 NA PeJP NA NA +PJ055493 PPLLMMR C38H68N10O8S2 856.4663 NA PeJP NA NA +MJ096307 Mammoside I C40H72O19 856.46678 NA MeJP NA NA +MJ096308 Merremoside I C40H72O19 856.46678 NA MeJP NA NA +PJ055494 PDKRRW C38H60N14O9 856.4668 NA PeJP NA NA +PJ055495 SPLLLEW C42H64N8O11 856.4695 NA PeJP NA NA +PJ055496 GPLQMRR C35H64N14O9S 856.4702 NA PeJP NA NA +PJ055497 VLHFRW C43H60N12O7 856.4708 NA PeJP NA NA +PJ055498 AAPLLLEM C39H68N8O11S 856.4729 NA PeJP NA NA +PJ055499 NQQRRR C32H60N18O10 856.474 NA PeJP NA NA +PJ055500 KKKMHW C40H64N12O7S 856.4742 NA PeJP NA NA +PJ055501 APKKEER C36H64N12O12 856.4767 NA PeJP NA NA +PJ055502 SPRRRW C37H60N16O8 856.478 NA PeJP NA NA +MJ096309 Tartrolone B C46H68BO14(-) 856.478037 NA MeJP NA NA +PJ055503 GGKHFRR C37H60N16O8 856.4781 NA PeJP NA NA +PJ055504 GPLKKEW C41H64N10O10 856.4807 NA PeJP NA NA +PJ055505 AAPMRRR C34H64N16O8S 856.4814 NA PeJP NA NA +MJ096310 Spirostan-3-ol, 3-O-[?-L-Arabinopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C44H72O16 856.482036 NA MeJP NA NA +MJ096311 Spirostan-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?4)]-?-D-glucopyranoside] C44H72O16 856.482036 NA MeJP NA NA +MJ096312 Spirostane-1,3-diol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C44H72O16 856.482036 NA MeJP NA NA +PJ055506 PVLLEMR C38H68N10O10S 856.4841 NA PeJP NA NA +PJ055507 PPVVLFW C46H64N8O8 856.4848 NA PeJP NA NA +PJ055508 APTKERR C35H64N14O11 856.4879 NA PeJP NA NA +PJ055509 GGGLLERR C35H64N14O11 856.488 NA PeJP NA NA +PJ055510 PVVLLMW C43H68N8O8S 856.4881 NA PeJP NA NA +PJ055511 LLLLQEE C39H68N8O13 856.4906 NA PeJP NA NA +PJ055512 GPTLKRW C40H64N12O9 856.492 NA PeJP NA NA +PJ055513 PPTKKMR C37H68N12O9S 856.4953 NA PeJP NA NA +PJ055514 PLKKWW C45H64N10O7 856.496 NA PeJP NA NA +PJ055515 LQERRR C34H64N16O10 856.4992 NA PeJP NA NA +PJ055516 VLLQQKE C38H68N10O12 856.5018 NA PeJP NA NA +PJ055517 VVLLEER C38H68N10O12 856.5019 NA PeJP NA NA +PJ055518 VLQRRW C39H64N14O8 856.5032 NA PeJP NA NA +PJ055519 ALLLLEW C43H68N8O10 856.5059 NA PeJP NA NA +PJ055520 GPLKMRR C36H68N14O8S 856.5066 NA PeJP NA NA +PJ055521 GPTLLLLM C40H72N8O10S 856.5093 NA PeJP NA NA +PJ055522 VDRRRR C33H64N18O9 856.5104 NA PeJP NA NA +PJ055523 SPLKKER C37H68N12O11 856.5131 NA PeJP NA NA +PJ055524 ALRRRW C38H64N16O7 856.5144 NA PeJP NA NA +PJ055525 SPVLKKW C42H68N10O9 856.5171 NA PeJP NA NA +PJ055526 PLLQKKM C39H72N10O9S 856.5205 NA PeJP NA NA +PJ055527 GVLKERR C36H68N14O10 856.5243 NA PeJP NA NA +PJ055528 LLLLKEE C40H72N8O12 856.527 NA PeJP NA NA +MJ096313 Isoxuxuarine A?; 7,8-Dihydro C56H72O7 856.527804 NA MeJP NA NA +MJ096314 Xuxuarine B?; 22,22'-Dideoxy, 3,4-diepimer, 7',8'?-dihydro C56H72O7 856.527804 NA MeJP NA NA +MJ096315 Xuxuarine B?; 22,22'-Dideoxy, 7',8'-dihydro C56H72O7 856.527804 NA MeJP NA NA +PJ055529 AVKKKHF C41H68N12O8 856.5283 NA PeJP NA NA +PJ055530 AALLKRW C41H68N12O8 856.5284 NA PeJP NA NA +PJ055531 PVVKKMR C38H72N12O8S 856.5317 NA PeJP NA NA +PJ055532 LKERRR C35H68N16O9 856.5356 NA PeJP NA NA +PJ055533 TLLLLER C39H72N10O11 856.5382 NA PeJP NA NA +PJ055534 GGLLLKKE C39H72N10O11 856.5383 NA PeJP NA NA +PJ055535 VLKRRW C40H68N14O7 856.5396 NA PeJP NA NA +PJ055536 SLLLLLW C44H72N8O9 856.5423 NA PeJP NA NA +PJ055537 AALLLLLM C41H76N8O9S 856.5456 NA PeJP NA NA +PJ055538 TLRRRR C34H68N18O8 856.5468 NA PeJP NA NA +PJ055539 ALLKKER C38H72N12O10 856.5495 NA PeJP NA NA +PJ055540 GLLLKKW C43H72N10O8 856.5535 NA PeJP NA NA +MJ096316 Antibiotic CP 47434 C46H80O14 856.554807 NA MeJP NA NA +PJ055541 VLLLLMR C40H76N10O8S 856.5569 NA PeJP NA NA +PJ055542 ATLLKRR C37H72N14O9 856.5607 NA PeJP NA NA +PJ055543 ATTLLLLL C41H76N8O11 856.5634 NA PeJP NA NA +PJ055544 AAKKKRR C36H72N16O8 856.5719 NA PeJP NA NA +PJ055545 VLLKKKE C40H76N10O10 856.5746 NA PeJP NA NA +PJ055546 SLLLKKR C39H76N12O9 856.5859 NA PeJP NA NA +PJ055547 GLKKKKR C38H76N14O8 856.5971 NA PeJP NA NA +PJ055548 VVKKKKK C40H80N12O8 856.6222 NA PeJP NA NA +HMDB02728 Thyroxine sulfate C15H11I4NO7S 856.64349 http://www.hmdb.ca/metabolites/HMDB02728 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02728 Thyroxine sulfate C15H11I4NO7S 856.64349 http://www.hmdb.ca/metabolites/HMDB02728 HMDB NA NA +HMDB02728 Thyroxine sulfate C15H11I4NO7S 856.64349 NA ;SYN:pentosidineH2Blood; Cerebrospinal Fluid Inhouse_peptide NA peptide +HMDB02728 Thyroxine sulfate C15H11I4NO7S 856.64349 http://www.hmdb.ca/metabolites/HMDB02728 PFEM_hmdb_metabocards_blood NA blood +HMDB02728 Thyroxine sulfate C15H11I4NO7S 856.64349 HMDB02728 PFEM_hmdb_metabocards_official NA NA +HMDB02728 Thyroxine sulfate C15H11I4NO7S 856.643494 NA HMDB2010 NA NA +MJ096317 20(29)-Lupene-3,28-diol, 3-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 28-O-hexadecanoyl C56H88O6 856.65809 NA MeJP NA NA +MJ096318 2-Amino-17-methyl-1,3,4-octadecanetriol, N-Docosanoyl, 1-O-(2-acetamido-2-deoxy-?-D-glucopyranoside) C49H96N2O9 856.711582 NA MeJP NA NA +HMDB05384 TG(16:0/18:1(9Z)/18:2(9Z,12Z))[iso6] C55H100O6 856.75201 http://www.hmdb.ca/metabolites/HMDB05384 HMDB NA NA +HMDB05425 TG(16:1(9Z)/18:0/18:2(9Z,12Z))[iso6] C55H100O6 856.75201 http://www.hmdb.ca/metabolites/HMDB05425 HMDB NA NA +HMDB05434 TG(16:1(9Z)/16:1(9Z)/20:1(11Z))[iso3] C55H100O6 856.75201 http://www.hmdb.ca/metabolites/HMDB05434 HMDB NA NA +HMDB05438 TG(16:1(9Z)/18:1(9Z)/18:1(9Z))[iso3] C55H100O6 856.75201 http://www.hmdb.ca/metabolites/HMDB05438 HMDB NA NA +HMDB05384 TG(16:0/18:1(9Z)/18:2(9Z,12Z))[iso6] C55H100O6 856.75201 HMDB05384 PFEM_hmdb_metabocards_official NA NA +HMDB05425 TG(16:1(9Z)/18:0/18:2(9Z,12Z))[iso6] C55H100O6 856.75201 HMDB05425 PFEM_hmdb_metabocards_official NA NA +HMDB05434 TG(16:1(9Z)/16:1(9Z)/20:1(11Z))[iso3] C55H100O6 856.75201 HMDB05434 PFEM_hmdb_metabocards_official NA NA +HMDB05438 TG(16:1(9Z)/18:1(9Z)/18:1(9Z))[iso3] C55H100O6 856.75201 HMDB05438 PFEM_hmdb_metabocards_official NA NA +HMDB05384 TG(16:0/18:1(9Z)/18:2(9Z,12Z))[iso6] C55H100O6 856.752014 NA HMDB2010 NA NA +HMDB05425 TG(16:1(9Z)/18:0/18:2(9Z,12Z))[iso6] C55H100O6 856.752014 NA HMDB2010 NA NA +HMDB05434 TG(16:1(9Z)/16:1(9Z)/20:1(11Z))[iso3] C55H100O6 856.752014 NA HMDB2010 NA NA +HMDB05438 TG(16:1(9Z)/18:1(9Z)/18:1(9Z))[iso3] C55H100O6 856.752014 NA HMDB2010 NA NA +HMDB10432 TG(18:0/16:0/18:3(9Z,12Z,15Z))[iso6] C55H100O6 856.752014 NA HMDB2010 NA NA +HMDB10439 TG(18:1(11Z)/16:0/18:2(9Z,12Z))[iso3] C55H100O6 856.752014 NA HMDB2010 NA NA +HMDB10442 TG(18:1(11Z)/16:1(9Z)/18:1(11Z))[iso3] C55H100O6 856.752014 NA HMDB2010 NA NA +HMDB10443 TG(18:1(11Z)/16:1(9Z)/18:1(9Z))[iso6] C55H100O6 856.752014 NA HMDB2010 NA NA +3228 bovine lactoferrin fr,79-93 AGIYGTKESPQTHYY 856.891 MH2+ Inhouse_peptide NA peptide +PJ055549 GCCCNDDE C28H43N9O16S3 857.199 NA PeJP NA NA +FL7AAAGL0037 Palargonidin 3-(6''-ferulylglucoside)-5-(6'''-malonylglucoside) C40H41O21 857.21403 168647-45-8 knapsack NA NA +PJ055550 CCCNDDW C32H43N9O13S3 857.2143 NA PeJP NA NA +PJ055551 SSCCNDDD C28H43N9O18S2 857.2168 NA PeJP NA NA +PJ055552 SPCCCCNE C29H47N9O13S4 857.2177 NA PeJP NA NA +PJ055553 CCCMMMH C30H51N9O8S6 857.2185 NA PeJP NA NA +PJ055554 TCCCCYY C34H47N7O11S4 857.2217 NA PeJP NA NA +PJ055555 CDDDEMM C30H47N7O16S3 857.2242 NA PeJP NA NA +PJ055556 GCCCNNNM C28H47N11O12S4 857.2289 NA PeJP NA NA +PJ055557 GSPCCCCW C33H47N9O10S4 857.2329 NA PeJP NA NA +PJ055558 GSCCNDEM C29H47N9O15S3 857.2354 NA PeJP NA NA +PJ055559 GPCCCNMM C30H51N9O10S5 857.2363 NA PeJP NA NA +PJ055560 CDDDDEF C33H43N7O18S 857.2386 NA PeJP NA NA +PJ055561 CCDDEHH C31H43N11O14S2 857.2433 NA PeJP NA NA +PJ055562 SSCCCNNQ C28H47N11O14S3 857.2466 NA PeJP NA NA +PJ055563 GSCCCDDR C28H47N11O14S3 857.2467 NA PeJP NA NA +PJ055564 APCCCCCR C29H51N11O9S5 857.2475 NA PeJP NA NA +PJ055565 CNNDDDY C32H43N9O17S 857.2498 NA PeJP NA NA +PJ055566 SCCNDMW C33H47N9O12S3 857.2507 NA PeJP NA NA +PJ055567 SSSCNDDM C29H47N9O17S2 857.2532 NA PeJP NA NA +PJ055568 CNNDMMM C30H51N9O12S4 857.254 NA PeJP NA NA +PJ055569 GGGACCEMM C30H51N9O12S4 857.2541 NA PeJP NA NA +PJ055570 GCCCFYY C38H47N7O10S3 857.2547 NA PeJP NA NA +PJ055571 SDDDDEY C33H43N7O20 857.2563 NA PeJP NA NA +PJ055572 PCDDDMY C34H47N7O15S2 857.2572 NA PeJP NA NA +PJ055573 SDDEMMM C31H51N7O15S3 857.2606 NA PeJP NA NA +PJ055574 PCDMMMM C32H55N7O10S5 857.2614 NA PeJP NA NA +PJ055575 GSSSSCCNN C28H47N11O16S2 857.2644 NA PeJP NA NA +PJ055576 CCCNEMR C29H51N11O11S4 857.2653 NA PeJP NA NA +PJ055577 GTCCCWW C37H47N9O9S3 857.2659 NA PeJP NA NA +PJ055578 GSSSCCEW C33H47N9O14S2 857.2684 NA PeJP NA NA +PJ055579 GCCQMMW C34H51N9O9S4 857.2693 NA PeJP NA NA +PJ055580 GSSSSSCDE C29H47N9O19S 857.2709 NA PeJP NA NA +PJ055581 GSSCNEMM C30H51N9O14S3 857.2718 NA PeJP NA NA +PJ055582 GSCCYYY C38H47N7O12S2 857.2724 NA PeJP NA NA +PJ055583 APCCCCKM C31H55N9O9S5 857.2727 NA PeJP NA NA +PJ055584 CCNNMHH C31H47N13O10S3 857.2731 NA PeJP NA NA +PJ055585 GGGGCCMHH C31H47N13O10S3 857.2732 NA PeJP NA NA +MJ096319 Perdeacyleuojaponin; 14-(3-Furancarbonyl), 1,2,6,8,9-penta-Ac C41H47NO19 857.274228 NA MeJP NA NA +MJ096320 Perdeacyleuojaponin; 2-(3-Furancarbonyl), 1,6,8,9,14-penta-Ac C41H47NO19 857.274228 NA MeJP NA NA +MJ096321 Perdeacyleuojaponin; 6-(3-Furancarbonyl), 1,2,8,9,14-penta-Ac C41H47NO19 857.274228 NA MeJP NA NA +MJ096322 Perdeacylhypoglaunine; 23-Deoxy, 14-(2-furancarbonyl), 1,2,6,8,9-penta-Ac C41H47NO19 857.274228 NA MeJP NA NA +MJ096323 Perdeacylwilforine; 2-(3-Furancarbonyl), 1,6,8,9,14-penta-Ac C41H47NO19 857.274228 NA MeJP NA NA +PJ055586 ACDEEEY C34H47N7O17S 857.2749 NA PeJP NA NA +PJ055587 GDDEEMY C34H47N7O17S 857.275 NA PeJP NA NA +PJ055588 PCDDMMF C35H51N7O12S3 857.2758 NA PeJP NA NA +PJ055589 CCCCDRR C28H51N13O10S4 857.2765 NA PeJP NA NA +PJ055590 NNDDDEH C31H43N11O18 857.2788 NA PeJP NA NA +PJ055591 GEEMMMM C32H55N7O12S4 857.2792 NA PeJP NA NA +PJ055592 CCNNNQY C32H47N11O13S2 857.2796 NA PeJP NA NA +PJ055593 GGCCNNQY C32H47N11O13S2 857.2797 NA PeJP NA NA +PJ055594 GCCCMRW C33H51N11O8S4 857.2805 NA PeJP NA NA +PJ055595 GSSCCDMR C29H51N11O13S3 857.283 NA PeJP NA NA +PJ055596 SSSCCWW C37H47N9O11S2 857.2837 NA PeJP NA NA +PJ055597 SSSSSCDW C33H47N9O16S 857.2862 NA PeJP NA NA +PJ055598 SSCNMMW C34H51N9O11S3 857.287 NA PeJP NA NA +PJ055599 GGSSCMMW C34H51N9O11S3 857.2871 NA PeJP NA NA +PJ055600 SSSSSSSDD C29H47N9O21 857.2887 NA PeJP NA NA +PJ055601 SSSSNDMM C30H51N9O16S2 857.2895 NA PeJP NA NA +PJ055602 GGSSSSDMM C30H51N9O16S2 857.2896 NA PeJP NA NA +PJ055603 DDEMYW C38H47N7O14S 857.2902 NA PeJP NA NA +PJ055604 SNNMMMM C31H55N9O11S4 857.2904 NA PeJP NA NA +PJ055605 GSSCCQHH C31H47N13O12S2 857.2909 NA PeJP NA NA +PJ055606 SSDEEEY C34H47N7O19 857.2927 NA PeJP NA NA +PJ055607 SPDDMMY C35H51N7O14S2 857.2936 NA PeJP NA NA +PJ055608 GNDDDHW C35H43N11O15 857.2941 NA PeJP NA NA +PJ055609 EMMMMW C36H55N7O9S4 857.2944 NA PeJP NA NA +PJ055610 PCCDHHF C36H47N11O10S2 857.2949 NA PeJP NA NA +PJ055611 STEEMMM C32H55N7O14S3 857.2969 NA PeJP NA NA +PJ055612 GSSCNNNY C32H47N11O15S 857.2974 NA PeJP NA NA +PJ055613 SPMMMMM C33H59N7O9S5 857.2978 NA PeJP NA NA +PJ055614 STCCCRW C33H51N11O10S3 857.2983 NA PeJP NA NA +PJ055615 CCNFWW C41H47N9O8S2 857.2989 NA PeJP NA NA +PJ055616 SSSSCCER C29H51N11O15S2 857.3008 NA PeJP NA NA +PJ055617 GSCNEYW C37H47N9O13S 857.3014 NA PeJP NA NA +PJ055618 SCCQMMR C30H55N11O10S4 857.3016 NA PeJP NA NA +PJ055619 GGTCCMMR C30H55N11O10S4 857.3017 NA PeJP NA NA +PJ055620 ACCMHFF C38H51N9O8S3 857.3023 NA PeJP NA NA +PJ055621 GSSSNDEY C33H47N9O18 857.3039 NA PeJP NA NA +PJ055622 VDDDEEH C33H47N9O18 857.304 NA PeJP NA NA +PJ055623 GSSSTCMW C34H51N9O13S2 857.3048 NA PeJP NA NA +PJ055624 GCCKMMW C35H55N9O8S4 857.3057 NA PeJP NA NA +PJ055625 GSSSSSSEM C30H51N9O18S 857.3073 NA PeJP NA NA +MetaCyc04199 curcumin 4'-O-β-D-gentiobiosyl 4''-O-β-D-glucoside [] C39H53O21 857.307934 NA metacyc NA NA +PJ055626 GPDDEYY C38H47N7O16 857.308 NA PeJP NA NA +PJ055627 GSSSQMMM C31H55N9O13S3 857.3082 NA PeJP NA NA +PJ055628 SSSSCNHH C31H47N13O14S 857.3086 NA PeJP NA NA +PJ055629 GGSSSSCHH C31H47N13O14S 857.3087 NA PeJP NA NA +PJ055630 DEMMFW C39H51N7O11S2 857.3088 NA PeJP NA NA +PJ055631 CCCQKHH C32H51N13O9S3 857.3095 NA PeJP NA NA +PJ055632 GTEEEMY C35H51N7O16S 857.3113 NA PeJP NA NA +PJ055633 GPEMMMY C36H55N7O11S3 857.3122 NA PeJP NA NA +PJ055634 SPCNDHW C36H47N11O12S 857.3127 NA PeJP NA NA +PJ055635 SCCCMRR C29H55N13O9S4 857.3129 NA PeJP NA NA +PJ055636 SNNEEEH C32H47N11O17 857.3152 NA PeJP NA NA +PJ055637 SVEMMMM C33H59N7O11S4 857.3156 NA PeJP NA NA +PJ055638 GCNDMRY C33H51N11O12S2 857.316 NA PeJP NA NA +PJ055639 GGGCDMRY C33H51N11O12S2 857.3161 NA PeJP NA NA +PJ055640 SCNYWW C41H47N9O10S 857.3167 NA PeJP NA NA +PJ055641 GCMHHHH C34H47N15O8S2 857.3174 NA PeJP NA NA +PJ055642 SSSNDYW C37H47N9O15 857.3192 NA PeJP NA NA +PJ055643 GSSSCMMR C30H55N11O12S3 857.3194 NA PeJP NA NA +PJ055644 NNMMYW C38H51N9O10S2 857.3201 NA PeJP NA NA +PJ055645 SSSSSSMW C34H51N9O15S 857.3226 NA PeJP NA NA +PJ055646 PDDYYW C42H47N7O13 857.3232 NA PeJP NA NA +PJ055647 STCCKMW C35H55N9O10S3 857.3234 NA PeJP NA NA +PJ055648 GGGGAMMMF C35H55N9O10S3 857.3235 NA PeJP NA NA +PJ055649 GCNNQHW C35H47N13O11S 857.3239 NA PeJP NA NA +PJ055650 SSSSSSSTE C30H51N9O20 857.325 NA PeJP NA NA +PJ055651 SSSSSSTTD C30H51N9O20 857.3251 NA PeJP NA NA +PJ055652 SSSSTQMM C31H55N9O15S2 857.3259 NA PeJP NA NA +PJ055653 SNDDDHR C31H47N13O16 857.3264 NA PeJP NA NA +PJ055654 GGGGGGGGGGGPD C31H47N13O16 857.3265 NA PeJP NA NA +PJ055655 TEEMYW C39H51N7O13S 857.3266 NA PeJP NA NA +PJ055656 SCQKMMM C32H59N9O10S4 857.3268 NA PeJP NA NA +PJ055657 PCCNEHR C32H51N13O11S2 857.3273 NA PeJP NA NA +PJ055658 PMMMYW C40H55N7O8S3 857.3275 NA PeJP NA NA +PJ055659 CEHHFW C40H47N11O9S 857.3279 NA PeJP NA NA +PJ055660 STTEEEY C35H51N7O18 857.3291 NA PeJP NA NA +PJ055661 GVEEMMY C36H55N7O13S2 857.33 NA PeJP NA NA +PJ055662 GSNEEHW C36H47N11O14 857.3304 NA PeJP NA NA +PJ055663 GGGGGGGGGYY C36H47N11O14 857.3305 NA PeJP NA NA +PJ055664 APMMMMF C37H59N7O8S4 857.3308 NA PeJP NA NA +PJ055665 CCQRYW C37H51N11O9S2 857.3313 NA PeJP NA NA +PJ055666 SSCNERY C33H51N11O14S 857.3338 NA PeJP NA NA +PJ055667 ALMMMMM C34H63N7O8S5 857.3342 NA PeJP NA NA +PJ055668 NNDFYW C41H47N9O12 857.3344 NA PeJP NA NA +PJ055669 GGNDFYW C41H47N9O12 857.3345 NA PeJP NA NA +PJ055670 GCNMMFR C34H55N11O9S3 857.3347 NA PeJP NA NA +PJ055671 STCHHHH C34H47N15O10S 857.3351 NA PeJP NA NA +PJ055672 GGPCNHHH C34H47N15O10S 857.3352 NA PeJP NA NA +PJ055673 SSSSTCMR C30H55N11O14S2 857.3372 NA PeJP NA NA +PJ055674 GSSQMYW C38H51N9O12S 857.3378 NA PeJP NA NA +PJ055675 SCCKMMR C31H59N11O9S4 857.338 NA PeJP NA NA +PJ055676 GSSSTQEY C34H51N9O17 857.3403 NA PeJP NA NA +PJ055677 EEMMRY C35H55N9O12S2 857.3412 NA PeJP NA NA +PJ055678 SSNNNHW C35H47N13O13 857.3417 NA PeJP NA NA +PJ055679 PDMFYW C43H51N7O10S 857.3418 NA PeJP NA NA +PJ055680 GPCCHRW C36H51N13O8S2 857.3425 NA PeJP NA NA +PJ055681 GSSSSTTTM C31H55N9O17S 857.3437 NA PeJP NA NA +PJ055682 GPTEEYY C39H51N7O15 857.3443 NA PeJP NA NA +PJ055683 GVDEEFY C39H51N7O15 857.3444 NA PeJP NA NA +PJ055684 GSSSKMMM C32H59N9O12S3 857.3446 NA PeJP NA NA +PJ055685 GNDEMHR C32H51N13O13S 857.345 NA PeJP NA NA +PJ055686 GGGDEMHR C32H51N13O13S 857.3451 NA PeJP NA NA +PJ055687 VEMMYW C40H55N7O10S2 857.3452 NA PeJP NA NA +PJ055688 SNEHWW C40H47N11O11 857.3457 NA PeJP NA NA +PJ055689 ACCCFRR C33H55N13O8S3 857.3459 NA PeJP NA NA +PJ055690 SSLEEMY C36H55N7O15S 857.3477 NA PeJP NA NA +PJ055691 SPVMMMY C37H59N7O10S3 857.3486 NA PeJP NA NA +PJ055692 GSSCRYW C37H51N11O11S 857.3491 NA PeJP NA NA +PJ055693 SSPPNNNE C33H51N11O16 857.3515 NA PeJP NA NA +PJ055694 GSSSSDRY C33H51N11O16 857.3516 NA PeJP NA NA +PJ055695 TTLMMMM C34H63N7O10S4 857.352 NA PeJP NA NA +PJ055696 GSNMMRY C34H55N11O11S2 857.3524 NA PeJP NA NA +PJ055697 GNQEHHH C34H47N15O12 857.3529 NA PeJP NA NA +PJ055698 NNMFFW C42H51N9O9S 857.3531 NA PeJP NA NA +PJ055699 SSSTQYW C38H51N9O14 857.3556 NA PeJP NA NA +PJ055700 GCDDHRR C31H51N15O12S 857.3563 NA PeJP NA NA +PJ055701 CQKMYW C39H55N9O9S2 857.3564 NA PeJP NA NA +PJ055702 GACKMYW C39H55N9O9S2 857.3565 NA PeJP NA NA +PJ055703 SSNKEMY C35H55N9O14S 857.3589 NA PeJP NA NA +PJ055704 GGSSKEMY C35H55N9O14S 857.359 NA PeJP NA NA +PJ055705 PTEYYW C43H51N7O12 857.3596 NA PeJP NA NA +PJ055706 GNKMMMF C36H59N9O9S3 857.3598 NA PeJP NA NA +PJ055707 NDMHRW C36H51N13O10S 857.3603 NA PeJP NA NA +PJ055708 PMMFFW C44H55N7O7S2 857.3605 NA PeJP NA NA +PJ055709 GSHWWW C44H47N11O8 857.3609 NA PeJP NA NA +PJ055710 SSSSSTTTT C31H55N9O19 857.3614 NA PeJP NA NA +PJ055711 SSSSTKMM C32H59N9O14S2 857.3623 NA PeJP NA NA +PJ055712 SSNEEHR C32H51N13O15 857.3628 NA PeJP NA NA +2801 peptide T ASTTTNYT 857.3629 NA Inhouse_peptide NA peptide +PJ055713 GPVEMYY C40H55N7O12S 857.363 NA PeJP NA NA +PJ055714 SCKKMMM C33H63N9O9S4 857.3632 NA PeJP NA NA +MJ096324 Foetidine I; 9-Methoxy C48H51N5O10 857.363592 NA MeJP NA NA +PJ055715 GTCCRRY C33H55N13O10S2 857.3637 NA PeJP NA NA +PJ055716 LMMMFW C41H59N7O7S3 857.3638 NA PeJP NA NA +PJ055717 AQMHWW C41H51N11O8S 857.3643 NA PeJP NA NA +PJ055718 ATLEMMY C37H59N7O12S2 857.3663 NA PeJP NA NA +PJ055719 GSDKEHW C37H51N11O13 857.3668 NA PeJP NA NA +PJ055720 CCKRYW C38H55N11O8S2 857.3677 NA PeJP NA NA +PJ055721 NQHHHW C38H47N15O9 857.3682 NA PeJP NA NA +PJ055722 SSSQMRY C34H55N11O13S 857.3702 NA PeJP NA NA +PJ055723 GSPPEWW C42H51N9O11 857.3708 NA PeJP NA NA +PJ055724 GGGGGPFFY C42H51N9O11 857.3709 NA PeJP NA NA +PJ055725 ACCKMFR C35H59N11O8S3 857.3711 NA PeJP NA NA +PJ055726 GSSSNNHR C31H51N15O14 857.374 NA PeJP NA NA +PJ055727 GSSKMYW C39H55N9O11S 857.3742 NA PeJP NA NA +PJ055728 PDFFFW C47H51N7O9 857.3749 NA PeJP NA NA +PJ055729 ACHRWW C40H51N13O7S 857.3756 NA PeJP NA NA +MJ096325 Peptide T C35H55N9O16 857.376676 NA MeJP NA NA +PJ055730 GSSSTKEY C35H55N9O16 857.3767 NA PeJP NA NA +PJ055731 GTQKMMY C36H59N9O11S2 857.3776 NA PeJP NA NA +PJ055732 GNQQQHF C36H51N13O12 857.378 NA PeJP NA NA +PJ055733 GSSEHRW C36H51N13O12 857.3781 NA PeJP NA NA +PJ055734 PVMYYW C44H55N7O9S 857.3782 NA PeJP NA NA +PJ055735 MMHHFR C37H55N13O7S2 857.3789 NA PeJP NA NA +PJ055736 GPHHHHH C37H47N17O8 857.3794 NA PeJP NA NA +PJ055737 AALEEYY C40H55N7O14 857.3807 NA PeJP NA NA +PJ055738 SSSCRRY C33H55N13O12S 857.3814 NA PeJP NA NA +PJ055739 GPLMMFY C41H59N7O9S2 857.3816 NA PeJP NA NA +PJ055740 SDKHWW C41H51N11O10 857.3821 NA PeJP NA NA +PJ055741 TTTLEMY C37H59N7O14S 857.3841 NA PeJP NA NA +PJ055742 GLLMMMY C38H63N7O9S3 857.385 NA PeJP NA NA +PJ055743 APPCERW C38H55N11O10S 857.3854 NA PeJP NA NA +PJ055744 GPPDMRW C38H55N11O10S 857.3855 NA PeJP NA NA +PJ055745 SPPWWW C46H51N9O8 857.3861 NA PeJP NA NA +PJ055746 GSSSTTRY C34H55N11O15 857.3879 NA PeJP NA NA +PJ055747 APQEEER C34H55N11O15 857.388 NA PeJP NA NA +PJ055748 GTCKMRY C35H59N11O10S2 857.3888 NA PeJP NA NA +PJ055749 GNNNHFR C35H51N15O11 857.3893 NA PeJP NA NA +PJ055750 AAPPMWW C43H55N9O8S 857.3895 NA PeJP NA NA +PJ055751 SSSTKYW C39H55N9O13 857.392 NA PeJP NA NA +PJ055752 SCNNKHR C32H55N15O11S 857.3926 NA PeJP NA NA +PJ055753 GSDMHRR C32H55N15O11S 857.3927 NA PeJP NA NA +PJ055754 CKKMYW C40H59N9O8S2 857.3928 NA PeJP NA NA +PJ055755 SSHRWW C40H51N13O9 857.3933 NA PeJP NA NA +PJ055756 SSDKKMY C36H59N9O13S 857.3953 NA PeJP NA NA +PJ055757 GAPPKEEM C36H59N9O13S 857.3954 NA PeJP NA NA +PJ055758 VVEYYW C44H55N7O11 857.396 NA PeJP NA NA +PJ055759 ACKKMMF C37H63N9O8S3 857.3962 NA PeJP NA NA +PJ055760 TQMHRW C37H55N13O9S 857.3967 NA PeJP NA NA +PJ055761 GPDEERR C33H55N13O14 857.3992 NA PeJP NA NA +PJ055762 APTLMYY C41H59N7O11S 857.3994 NA PeJP NA NA +PJ055763 SPCKMHR C34H59N13O9S2 857.4 NA PeJP NA NA +PJ055764 GVQMMHR C34H59N13O9S2 857.4001 NA PeJP NA NA +PJ055765 GSQHHHR C34H51N17O10 857.4005 NA PeJP NA NA +PJ055766 AKMHWW C42H55N11O7S 857.4007 NA PeJP NA NA +PJ055767 PLLEEEE C37H59N7O16 857.4019 NA PeJP NA NA +PJ055768 STLLMMY C38H63N7O11S2 857.4027 NA PeJP NA NA +PJ055769 AAPEERW C38H55N11O12 857.4032 NA PeJP NA NA +PJ055770 NKHHHW C39H51N15O8 857.4045 NA PeJP NA NA +PJ055771 GGKHHHW C39H51N15O8 857.4046 NA PeJP NA NA +PJ055772 SSSKMRY C35H59N11O12S 857.4066 NA PeJP NA NA +PJ055773 PLQEWW C43H55N9O10 857.4072 NA PeJP NA NA +PJ055774 TCHRRW C36H55N15O8S 857.4079 NA PeJP NA NA +PJ055775 SSSEHRR C32H55N15O13 857.4104 NA PeJP NA NA +PJ055776 GGGGGGGGGGLR C32H55N15O13 857.4105 NA PeJP NA NA +PJ055777 APPKEMW C40H59N9O10S 857.4106 NA PeJP NA NA +PJ055778 PVFFYW C48H55N7O8 857.4112 NA PeJP NA NA +PJ055779 QMMHRR C33H59N15O8S2 857.4113 NA PeJP NA NA +PJ055780 SSSSSLKY C36H59N9O15 857.4131 NA PeJP NA NA +PJ055781 GTKKMMY C37H63N9O10S2 857.414 NA PeJP NA NA +PJ055782 PDERRW C37H55N13O11 857.4144 NA PeJP NA NA +PJ055783 GGGGAPTRW C37H55N13O11 857.4145 NA PeJP NA NA +PJ055784 VLMFYW C45H59N7O8S 857.4146 NA PeJP NA NA +PJ055785 GTLLEYY C41H59N7O13 857.4171 NA PeJP NA NA +PJ055786 SPPDMRR C34H59N13O11S 857.4178 NA PeJP NA NA +PJ055787 GLLMMFF C42H63N7O8S2 857.418 NA PeJP NA NA +PJ055788 PVDRWW C42H55N11O9 857.4185 NA PeJP NA NA +PJ055789 GNNNQRR C31H55N17O12 857.4216 NA PeJP NA NA +PJ055790 GGGNNQRR C31H55N17O12 857.4217 NA PeJP NA NA +PJ055791 APPTMRW C39H59N11O9S 857.4218 NA PeJP NA NA +PJ055792 APLWWW C47H55N9O7 857.4225 NA PeJP NA NA +PJ055793 APKEEER C35H59N11O14 857.4243 NA PeJP NA NA +PJ055794 GGGGPKKEE C35H59N11O14 857.4244 NA PeJP NA NA +PJ055795 PPVQMMR C36H63N11O9S2 857.4252 NA PeJP NA NA +PJ055796 NEHFRR C36H55N15O10 857.4257 NA PeJP NA NA +PJ055797 CKKFFW C44H59N9O7S 857.4259 NA PeJP NA NA +PJ055798 QKKEYY C40H59N9O12 857.4283 NA PeJP NA NA +PJ055799 GPLKEEW C40H59N9O12 857.4284 NA PeJP NA NA +PJ055800 GTTMHRR C33H59N15O10S 857.429 NA PeJP NA NA +PJ055801 GGGPQMRR C33H59N15O10S 857.4291 NA PeJP NA NA +PJ055802 VNHFRW C41H55N13O8 857.4297 NA PeJP NA NA +PJ055803 STTKKMY C37H63N9O12S 857.4317 NA PeJP NA NA +MJ096326 Oscillamide Y C45H59N7O10 857.432341 NA MeJP NA NA +PJ055804 TLLYYW C45H59N7O10 857.4324 NA PeJP NA NA +PJ055805 TKMHRW C38H59N13O8S 857.4331 NA PeJP NA NA +PJ055806 APTEERR C34H59N13O13 857.4356 NA PeJP NA NA +PJ055807 GVLLMYY C42H63N7O10S 857.4357 NA PeJP NA NA +PJ055808 APPMMRR C35H63N13O8S2 857.4364 NA PeJP NA NA +PJ055809 GSKHHHR C35H55N17O9 857.4369 NA PeJP NA NA +PJ055810 GPTLERW C39H59N11O11 857.4396 NA PeJP NA NA +PJ055811 GPCNRRR C32H59N17O9S 857.4403 NA PeJP NA NA +MJ096327 Carbomycin; 14?-Hydroxy C42H67NO17 857.440899 NA MeJP NA NA +MJ096328 Onomycin II C42H67NO17 857.440899 NA MeJP NA NA +PJ055812 GHFRRW C40H55N15O7 857.4409 NA PeJP NA NA +PJ055813 PPTKEMR C36H63N11O11S 857.443 NA PeJP NA NA +PJ055814 PLKEWW C44H59N9O9 857.4436 NA PeJP NA NA +PJ055815 STTTHRR C33H59N15O12 857.4468 NA PeJP NA NA +PJ055816 SPPLKMW C41H63N9O9S 857.447 NA PeJP NA NA +PJ055817 VLFFFW C49H59N7O7 857.4476 NA PeJP NA NA +PJ055818 KMMHRR C34H63N15O7S2 857.4477 NA PeJP NA NA +PJ055819 PVKKEEE C37H63N9O14 857.4495 NA PeJP NA NA +PJ055820 TLLLMMH C38H67N9O9S2 857.4504 NA PeJP NA NA +PJ055821 GSPQKRW C38H59N13O10 857.4508 NA PeJP NA NA +PJ055822 SSLLLYY C42H63N7O12 857.4535 NA PeJP NA NA +PJ055823 GPLEMRR C35H63N13O10S 857.4542 NA PeJP NA NA +PJ055824 PTLRWW C43H59N11O8 857.4548 NA PeJP NA NA +PJ055825 GGPKKWW C43H59N11O8 857.4549 NA PeJP NA NA +PJ055826 NQERRR C32H59N17O11 857.458 NA PeJP NA NA +PJ055827 GGGAERRR C32H59N17O11 857.4581 NA PeJP NA NA +PJ055828 GPVLMRW C40H63N11O8S 857.4582 NA PeJP NA NA +PJ055829 SPLKEER C36H63N11O13 857.4607 NA PeJP NA NA +PJ055830 PPVKMMR C37H67N11O8S2 857.4616 NA PeJP NA NA +PJ055831 VNQRRW C37H59N15O9 857.4621 NA PeJP NA NA +PJ055832 SPVLKEW C41H63N9O11 857.4647 NA PeJP NA NA +PJ055833 GGALLLEW C41H63N9O11 857.4648 NA PeJP NA NA +PJ055834 GPNKMRR C34H63N15O9S 857.4654 NA PeJP NA NA +PJ055835 PPFRRW C42H59N13O7 857.4661 NA PeJP NA NA +PJ055836 PLLQKEM C38H67N9O11S 857.4681 NA PeJP NA NA +PJ055837 GVLLFFY C46H63N7O9 857.4688 NA PeJP NA NA +PJ055838 PLMRRW C39H63N13O7S 857.4695 NA PeJP NA NA +PJ055839 SPTLERR C35H63N13O12 857.4719 NA PeJP NA NA +PJ055840 GVLEERR C35H63N13O12 857.472 NA PeJP NA NA +PJ055841 GQRRRW C36H59N17O8 857.4733 NA PeJP NA NA +PJ055842 LLLLEEE C39H67N7O14 857.4746 NA PeJP NA NA +PJ055843 AALLERW C40H63N11O10 857.476 NA PeJP NA NA +MJ096329 Maridomycin I C43H71NO16 857.477285 NA MeJP NA NA +PJ055844 PTLLQMR C37H67N11O10S 857.4793 NA PeJP NA NA +PJ055845 PVVKEMR C37H67N11O10S 857.4794 NA PeJP NA NA +PJ055846 LLLQWW C45H63N9O8 857.48 NA PeJP NA NA +PJ055847 LEERRR C34H63N15O11 857.4832 NA PeJP NA NA +PJ055848 APLLKMW C42H67N9O8S 857.4834 NA PeJP NA NA +PJ055849 PHHRRR C35H59N19O7 857.4845 NA PeJP NA NA +PJ055850 VLLQKEE C38H67N9O13 857.4859 NA PeJP NA NA +PJ055851 VLERRW C39H63N13O9 857.4872 NA PeJP NA NA +PJ055852 SPVLMRR C36H67N13O9S 857.4906 NA PeJP NA NA +PJ055853 VVLRWW C44H63N11O7 857.4912 NA PeJP NA NA +PJ055854 NKERRR C33H63N17O10 857.4944 NA PeJP NA NA +PJ055855 ALLKEER C37H67N11O12 857.4971 NA PeJP NA NA +PJ055856 VNKRRW C38H63N15O8 857.4984 NA PeJP NA NA +PJ055857 GGVKRRW C38H63N15O8 857.4985 NA PeJP NA NA +PJ055858 GLLLKEW C42H67N9O10 857.5011 NA PeJP NA NA +PJ055859 APCKKRR C35H67N15O8S 857.5018 NA PeJP NA NA +PJ055860 PLLKKEM C39H71N9O10S 857.5045 NA PeJP NA NA +PJ055861 SQRRRR C32H63N19O9 857.5057 NA PeJP NA NA +PJ055862 ATLLERR C36H67N13O11 857.5083 NA PeJP NA NA +PJ055863 GGALKKER C36H67N13O11 857.5084 NA PeJP NA NA +PJ055864 GKRRRW C37H63N17O7 857.5097 NA PeJP NA NA +PJ055865 GTLLLRW C41H67N11O9 857.5124 NA PeJP NA NA +PJ055866 PTLLKMR C38H71N11O9S 857.5157 NA PeJP NA NA +PJ055867 LLLKWW C46H67N9O7 857.5164 NA PeJP NA NA +PJ055868 AAKKERR C35H67N15O10 857.5196 NA PeJP NA NA +HMDB12428 PS(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H76NO10P 857.520691 NA HMDB2010 NA NA +HMDB12448 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)) C48H76NO10P 857.520691 NA HMDB2010 NA NA +PJ055869 ASTLLLLQ C39H71N9O12 857.5222 NA PeJP NA NA +PJ055870 VLLKKEE C39H71N9O12 857.5223 NA PeJP NA NA +PJ055871 LQKKRW C40H67N13O8 857.5236 NA PeJP NA NA +PJ055872 GLLLMRR C37H71N13O8S 857.527 NA PeJP NA NA +PJ055873 DKKRRR C34H67N17O9 857.5308 NA PeJP NA NA +PJ055874 SLLLKER C38H71N11O11 857.5335 NA PeJP NA NA +PJ055875 SVLLLKW C43H71N9O9 857.5375 NA PeJP NA NA +PJ055876 LLLLQKM C40H75N9O9S 857.5409 NA PeJP NA NA +PJ055877 SKRRRR C33H67N19O8 857.542 NA PeJP NA NA +PJ055878 STLLLRR C37H71N13O10 857.5447 NA PeJP NA NA +PJ055879 AVVKKKW C42H71N11O8 857.5487 NA PeJP NA NA +PJ055880 GVLKKKW C42H71N11O8 857.5488 NA PeJP NA NA +PJ055881 VVLLKMR C39H75N11O8S 857.5521 NA PeJP NA NA +PJ055882 GTLKKRR C36H71N15O9 857.556 NA PeJP NA NA +PJ055883 GTTLLLLK C40H75N9O11 857.5586 NA PeJP NA NA +PJ055884 LKKKRW C41H71N13O7 857.56 NA PeJP NA NA +PJ055885 VVKKKKE C39H75N11O10 857.5699 NA PeJP NA NA +PJ055886 PLLLKKF C44H75N9O8 857.5739 NA PeJP NA NA +PJ055887 LLLLKKM C41H79N9O8S 857.5773 NA PeJP NA NA +PJ055888 SVLKKKR C38H75N13O9 857.5811 NA PeJP NA NA +HMDB08354 PC(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C50H84NO8P 857.593445 NA HMDB2010 NA NA +HMDB08385 PC(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C50H84NO8P 857.593445 NA HMDB2010 NA NA +HMDB08386 PC(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C50H84NO8P 857.593445 NA HMDB2010 NA NA +HMDB08417 PC(20:3(8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C50H84NO8P 857.593445 NA HMDB2010 NA NA +HMDB08418 PC(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C50H84NO8P 857.593445 NA HMDB2010 NA NA +HMDB08449 PC(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) C50H84NO8P 857.593445 NA HMDB2010 NA NA +HMDB08482 PC(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) C50H84NO8P 857.593445 NA HMDB2010 NA NA +HMDB08640 PC(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C50H84NO8P 857.593445 NA HMDB2010 NA NA +HMDB08641 PC(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C50H84NO8P 857.593445 NA HMDB2010 NA NA +HMDB08671 PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)) C50H84NO8P 857.593445 NA HMDB2010 NA NA +HMDB08672 PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)) C50H84NO8P 857.593445 NA HMDB2010 NA NA +HMDB08704 PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)) C50H84NO8P 857.593445 NA HMDB2010 NA NA +HMDB08705 PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)) C50H84NO8P 857.593445 NA HMDB2010 NA NA +HMDB08736 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) C50H84NO8P 857.593445 NA HMDB2010 NA NA +PJ055889 TLLKKKK C40H79N11O9 857.6063 NA PeJP NA NA +EUR992 PC 38:3 [M+FA-H]- C46H86NO8P 857.613987 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR992 PC 38:3 [M+FA-H]- C46H86NO8P 857.613987 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR992 PC 38:3 [M+FA-H]- C46H86NO8P 857.613987 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR992 PC 38:3 [M+FA-H]- C46H86NO8P 857.613987 masses lipides attendues Inhousejuil11 NA NA +PJ055890 AKKKKKK C39H79N13O8 857.6175 NA PeJP NA NA +EUR1127 SM(d18:1/24:2) [M+FA-H]- C47H92N2O6P 857.674181 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1127 SM(d18:1/24:2) [M+FA-H]- C47H92N2O6P 857.674181 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1127 SM(d18:1/24:2) [M+FA-H]- C47H92N2O6P 857.674181 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1127 SM(d18:1/24:2) [M+FA-H]- C47H92N2O6P 857.674181 masses lipides attendues Inhousejuil11 NA NA +HMDB09245 PE(20:0/24:1(15Z)) C49H96NO8P 857.687378 NA HMDB2010 NA NA +HMDB09277 PE(20:1(11Z)/24:0) C49H96NO8P 857.687378 NA HMDB2010 NA NA +HMDB09502 PE(22:0/22:1(13Z)) C49H96NO8P 857.687378 NA HMDB2010 NA NA +HMDB09534 PE(22:1(13Z)/22:0) C49H96NO8P 857.687378 NA HMDB2010 NA NA +HMDB09725 PE(24:0/20:1(11Z)) C49H96NO8P 857.687378 NA HMDB2010 NA NA +HMDB09757 PE(24:1(15Z)/20:0) C49H96NO8P 857.687378 NA HMDB2010 NA NA +MJ096330 2-Amino-8-octadecene-1,3,4-triol, N-(2R-Hydroxypentacosanoyl), 1-O-?-D-glucopyranoside C49H95NO10 857.695598 NA MeJP NA NA +HMDB08785 PC(24:0/P-18:0) C50H100NO7P 857.723755 NA HMDB2010 NA NA +HMDB11263 PC(P-18:0/24:0) C50H100NO7P 857.723755 NA HMDB2010 NA NA +HMDB13434 PC(o-18:1(9Z)/24:0) C50H100NO7P 857.723755 NA HMDB2010 NA NA +HMDB13447 PC(o-22:0/20:1(11Z)) C50H100NO7P 857.723755 NA HMDB2010 NA NA +MJ096331 2-Amino-1,3,4-octadecanetriol, N-Hexacosanoyl, 1-O-?-D-glucopyranoside C50H99NO9 857.731983 NA MeJP NA NA +MJ096332 N-[1-[(?-D-Galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl]hexacosanamide C50H99NO9 857.731983 NA MeJP NA NA +MJ096333 4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-D-Glucuronopyranosyl-(1??)-?-D-glucuronopyranosyl-(1??)-?-D-glucuronopyranoside] C35H38O25 858.170216 NA MeJP NA NA +PJ055891 GCCCCCMH C28H46N10O9S6 858.1774 NA PeJP NA NA +PJ055892 GCCCDDDE C28H42N8O17S3 858.1831 NA PeJP NA NA +MJ096334 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) C39H39O22(+) 858.185472 NA MeJP NA NA +MJ096335 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxy-Z-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-[6-O-malonyl-?-D-glucopyranoside] C39H39O22(+) 858.185472 NA MeJP NA NA +MJ096336 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(6-Malonyl-?-D-glucopyranoside), 3'-O-[3,4-dihydroxycinnamoyl-(?6)-?-D-glucopyranoside] C39H39O22(+) 858.185472 NA MeJP NA NA +PJ055893 STCCCCCH C28H46N10O11S5 858.1951 NA PeJP NA NA +PJ055894 GGPCCCCCN C28H46N10O11S5 858.1952 NA PeJP NA NA +PJ055895 CCCDDDW C32H42N8O14S3 858.1983 NA PeJP NA NA +PJ055896 SSCCDDDD C28H42N8O19S2 858.2008 NA PeJP NA NA +PJ055897 SPCCCCDE C29H46N8O14S4 858.2017 NA PeJP NA NA +PJ055898 PPCCCCCM C30H50N8O9S6 858.2025 NA PeJP NA NA +PJ055899 GCCCNNDM C28H46N10O13S4 858.2129 NA PeJP NA NA +C15817 Heme C C40H46FeN6O8S2 858.2168 NA KEGG NA NA +C15818 Soraphen O C40H46FeN6O8S2 858.2168 NA KEGG NA NA +PJ055900 GSCCDDEM C29H46N8O16S3 858.2194 NA PeJP NA NA +PJ055901 GPCCCDMM C30H50N8O11S5 858.2203 NA PeJP NA NA +PJ055902 CCCCNQW C32H46N10O10S4 858.2282 NA PeJP NA NA +PJ055903 SSCCCNNE C28H46N10O15S3 858.2307 NA PeJP NA NA +MJ096337 Truxipicurium(2+); Diiodide C38H56I2N2O4 858.232945 NA MeJP NA NA +MJ096338 Betanidin; 5-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C39H42N2O20 858.233091 NA MeJP NA NA +MJ096339 Betanidin; 6-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C39H42N2O20 858.233091 NA MeJP NA NA +MJ096340 Betanidin; 6-O-[?-D-Glucopyranosyl-(1?2)-[4-hydroxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] C39H42N2O20 858.233091 NA MeJP NA NA +PJ055904 CNDDDDY C32H42N8O18S 858.2338 NA PeJP NA NA +PJ055905 SCCDDMW C33H46N8O13S3 858.2347 NA PeJP NA NA +MJ096341 3,4',5,7-Tetrahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-(4-Hydroxy-3-methoxybenzoyl), 3-O-?-L-rhamnopyranoside C44H42O18 858.237114 NA MeJP NA NA +PJ055906 SSSCDDDM C29H46N8O18S2 858.2372 NA PeJP NA NA +PJ055907 CNDDMMM C30H50N8O13S4 858.2381 NA PeJP NA NA +PJ055908 GPCCCCHH C31H46N12O9S4 858.2394 NA PeJP NA NA +FLIAAAGS0007 Genistein 7,4'-bis(O-glucosylapioside);Sarothamnoside C37H46O23 858.24298 78693-95-5 knapsack NA NA +MJ096342 4',5,7-Trihydroxyisoflavone; 4',7-Bis[?-D-glucopyranosyl-(1?5)-?-D-apiofuranoside] C37H46O23 858.242987 NA MeJP NA NA +MJ096343 Trifolin; 2''-O-?-D-Apiofuranosyl, 6''-O-[?-D-xylopyranosyl-(1?3)-?-L-rhamnopyranosyl] C37H46O23 858.242987 NA MeJP NA NA +PJ055909 GSSCCCNW C32H46N10O12S3 858.2459 NA PeJP NA NA +PJ055910 GSSSSCCND C28H46N10O17S2 858.2484 NA PeJP NA NA +PJ055911 CCCDEMR C29H50N10O12S4 858.2493 NA PeJP NA NA +MJ096344 Rivulotririn A C48H42O15 858.25237 NA MeJP NA NA +PJ055912 GSPCCDDY C33H46N8O15S2 858.2524 NA PeJP NA NA +PJ055913 GGCDDDMF C33H46N8O15S2 858.2525 NA PeJP NA NA +PJ055914 GCCEMMW C34H50N8O10S4 858.2533 NA PeJP NA NA +PJ055915 GSSCDEMM C30H50N8O15S3 858.2558 NA PeJP NA NA +PJ055916 GSPCCMMM C31H54N8O10S5 858.2567 NA PeJP NA NA +PJ055917 CCNDMHH C31H46N12O11S3 858.2572 NA PeJP NA NA +PJ055918 GSCCCCQR C28H50N12O11S4 858.2605 NA PeJP NA NA +PJ055919 NDDDDEH C31H42N10O19 858.2628 NA PeJP NA NA +PJ055920 CCNNNEY C32H46N10O14S2 858.2637 NA PeJP NA NA +PJ055921 CCCCNKW C33H50N10O9S4 858.2645 NA PeJP NA NA +PJ055922 GGCCCCKW C33H50N10O9S4 858.2646 NA PeJP NA NA +PJ055923 SSSCCNQM C29H50N10O14S3 858.267 NA PeJP NA NA +PJ055924 GGGGSSTCCM C29H50N10O14S3 858.2671 NA PeJP NA NA +PJ055925 GCCDEFW C37H46N8O12S2 858.2677 NA PeJP NA NA +PJ055926 CCMMWW C38H50N8O7S4 858.2686 NA PeJP NA NA +PJ055927 SNDDDMY C33H46N8O17S 858.2702 NA PeJP NA NA +PJ055928 SSCDMMW C34H50N8O12S3 858.2711 NA PeJP NA NA +PJ055929 ACCCHHW C35H46N12O8S3 858.2724 NA PeJP NA NA +PJ055930 SSSSDDMM C30H50N8O17S2 858.2736 NA PeJP NA NA +PJ055931 SNDMMMM C31H54N8O12S4 858.2744 NA PeJP NA NA +PJ055932 GSSCCEHH C31H46N12O13S2 858.2749 NA PeJP NA NA +PJ055933 GDDDDHW C35H42N10O16 858.2781 NA PeJP NA NA +PJ055934 SSSCCCNR C28H50N12O13S3 858.2783 NA PeJP NA NA +PJ055935 GCCNNYW C36H46N10O11S2 858.2789 NA PeJP NA NA +PJ055936 GSSCNNDY C32H46N10O16S 858.2814 NA PeJP NA NA +PJ055937 PCCCDRY C33H50N10O11S3 858.2823 NA PeJP NA NA +PJ055938 CCDFWW C41H46N8O9S2 858.283 NA PeJP NA NA +PJ055939 GSSSSSCNM C29H50N10O16S2 858.2848 NA PeJP NA NA +PJ055940 SSCDDFW C37H46N8O14S 858.2854 NA PeJP NA NA +PJ055941 GSCDEYW C37H46N8O14S 858.2855 NA PeJP NA NA +PJ055942 SCCEMMR C30H54N10O11S4 858.2857 NA PeJP NA NA +PJ055943 GPCCMYW C38H50N8O9S3 858.2863 NA PeJP NA NA +PJ055944 GSSSDDEY C33H46N8O19 858.288 NA PeJP NA NA +PJ055945 GNDEMMY C34H50N8O14S2 858.2888 NA PeJP NA NA +PJ055946 GTCMMMW C35H54N8O9S4 858.2897 NA PeJP NA NA +PJ055947 SSCCHHW C35H46N12O10S2 858.2902 NA PeJP NA NA +PJ055948 GSSSEMMM C31H54N8O14S3 858.2922 NA PeJP NA NA +PJ055949 SSSSCDHH C31H46N12O15S 858.2927 NA PeJP NA NA +PJ055950 GQMMMMM C32H58N8O9S5 858.2931 NA PeJP NA NA +PJ055951 CCCNNFR C32H50N12O10S3 858.2935 NA PeJP NA NA +PJ055952 GGGGCCCFR C32H50N12O10S3 858.2936 NA PeJP NA NA +PJ055953 SPCDDHW C36H46N10O13S 858.2967 NA PeJP NA NA +PJ055954 GSCCCCKR C29H54N12O10S4 858.2969 NA PeJP NA NA +PJ055955 SNDEEEH C32H46N10O18 858.2992 NA PeJP NA NA +PJ055956 SCNNQMY C33H50N10O13S2 858.3 NA PeJP NA NA +PJ055957 GCDDMRY C33H50N10O13S2 858.3001 NA PeJP NA NA +PJ055958 SCDYWW C41H46N8O11S 858.3007 NA PeJP NA NA +PJ055959 PCCCMFR C34H54N10O8S4 858.3009 NA PeJP NA NA +PJ055960 SSSSSSSCQ C29H50N10O18S 858.3025 NA PeJP NA NA +PJ055961 GGSSSSSSTC C29H50N10O18S 858.3026 NA PeJP NA NA +PJ055962 SSSDDYW C37H46N8O16 858.3032 NA PeJP NA NA +PJ055963 SSSCCNKM C30H54N10O13S3 858.3034 NA PeJP NA NA +PJ055964 GSCNNNNH C30H46N14O14S 858.3039 NA PeJP NA NA +PJ055965 NDMMYW C38H50N8O11S2 858.3041 NA PeJP NA NA +PJ055966 GCMMMMR C31H58N10O8S5 858.3043 NA PeJP NA NA +PJ055967 TCCCHHR C31H50N14O9S3 858.3048 NA PeJP NA NA +PJ055968 SSNEEMY C34H50N8O16S 858.3066 NA PeJP NA NA +PJ055969 SSSMMMW C35H54N8O11S3 858.3074 NA PeJP NA NA +PJ055970 GGPTCMMY C35H54N8O11S3 858.3075 NA PeJP NA NA +PJ055971 GCNNEHW C35H46N12O12S 858.3079 NA PeJP NA NA +MJ096345 11-Hydroxymeliacarpin; 1-Cinnamoyl, 3-(4-hydroxy-3-methoxycinnamoyl) C46H50O16 858.309885 NA MeJP NA NA +PJ055972 SSSSTEMM C31H54N8O16S2 858.3099 NA PeJP NA NA +PJ055973 SDDDDHR C31H46N12O17 858.3104 NA PeJP NA NA +PJ055974 GGGGGGGPNDD C31H46N12O17 858.3105 NA PeJP NA NA +PJ055975 STQMMMM C32H58N8O11S4 858.3108 NA PeJP NA NA +PJ055976 SCCNNRY C32H50N12O12S2 858.3113 NA PeJP NA NA +PJ055977 ASDDEHW C36H46N10O15 858.3144 NA PeJP NA NA +PJ055978 GSDEEHW C36H46N10O15 858.3145 NA PeJP NA NA +PJ055979 CCERYW C37H50N10O10S2 858.3153 NA PeJP NA NA +PJ055980 SSCDERY C33H50N10O15S 858.3178 NA PeJP NA NA +PJ055981 NDDFYW C41H46N8O13 858.3185 NA PeJP NA NA +PJ055982 SPCCMRY C34H54N10O10S3 858.3187 NA PeJP NA NA +PJ055983 PCNDHHH C34H46N14O11S 858.3192 NA PeJP NA NA +PJ055984 ACMYWW C42H50N8O8S2 858.3193 NA PeJP NA NA +PJ055985 GSSSSSSSSS C29H50N10O20 858.3203 NA PeJP NA NA +PJ055986 GSSSSTCCK C30H54N10O15S2 858.3212 NA PeJP NA NA +PJ055987 GSSEMYW C38H50N8O13S 858.3218 NA PeJP NA NA +PJ055988 GGGDEMFF C38H50N8O13S 858.3219 NA PeJP NA NA +PJ055989 STCMMMR C31H58N10O10S4 858.322 NA PeJP NA NA +PJ055990 GSCCCKKM C31H58N10O10S4 858.3221 NA PeJP NA NA +PJ055991 NMMMFW C39H54N8O8S3 858.3227 NA PeJP NA NA +PJ055992 CNNHWW C39H46N12O9S 858.3232 NA PeJP NA NA +PJ055993 GSSSTEEY C34H50N8O18 858.3243 NA PeJP NA NA +PJ055994 GSPPDEEE C34H50N8O18 858.3244 NA PeJP NA NA +PJ055995 GTQEMMY C35H54N8O13S2 858.3252 NA PeJP NA NA +PJ055996 SSNNDHW C35H46N12O14 858.3257 NA PeJP NA NA +PJ055997 GMYYYY C43H50N6O11S 858.3258 NA PeJP NA NA +PJ055998 PCCKMMF C36H58N8O8S4 858.3261 NA PeJP NA NA +PJ055999 ACNMHHF C36H50N12O9S2 858.3265 NA PeJP NA NA +PJ056000 GCQMHHF C36H50N12O9S2 858.3266 NA PeJP NA NA +PJ056001 GSTTTMMM C32H58N8O13S3 858.3286 NA PeJP NA NA +PJ056002 SSSSSMHH C32H50N12O14S 858.329 NA PeJP NA NA +PJ056003 GDDEMHR C32H50N12O14S 858.3291 NA PeJP NA NA +PJ056004 CCLKMMM C33H62N8O8S5 858.3294 NA PeJP NA NA +PJ056005 GKMMMMM C33H62N8O8S5 858.3295 NA PeJP NA NA +PJ056006 SDEHWW C40H46N10O12 858.3297 NA PeJP NA NA +PJ056007 TCCKMHH C33H54N12O9S3 858.3299 NA PeJP NA NA +PJ056008 PCMHWW C41H50N10O7S2 858.3306 NA PeJP NA NA +MJ096346 Bussein B C43H54O18 858.331014 NA MeJP NA NA +MJ096347 Bussein C C43H54O18 858.331014 NA MeJP NA NA +PJ056009 QEEMHW C37H50N10O12S 858.3331 NA PeJP NA NA +PJ056010 SSSSSNQY C33H50N10O17 858.3356 NA PeJP NA NA +PJ056011 GSDMMRY C34H54N10O12S2 858.3364 NA PeJP NA NA +PJ056012 GGGGSCKMY C34H54N10O12S2 858.3365 NA PeJP NA NA +MJ096348 Flambeurekanose C36H58O23 858.336888 NA MeJP NA NA +PJ056013 GNEEHHH C34H46N14O13 858.3369 NA PeJP NA NA +PJ056014 SSMYWW C42H50N8O10S 858.3371 NA PeJP NA NA +PJ056015 GCCHHFR C35H50N14O8S2 858.3378 NA PeJP NA NA +PJ056016 SSSSSSSCK C30H54N10O17S 858.3389 NA PeJP NA NA +PJ056017 SSSTEYW C38H50N8O15 858.3396 NA PeJP NA NA +PJ056018 SSTCCCKK C31H58N10O12S3 858.3398 NA PeJP NA NA +PJ056019 SCNNEHR C31H50N14O13S 858.3403 NA PeJP NA NA +PJ056020 TQMMYW C39H54N8O10S2 858.3405 NA PeJP NA NA +PJ056021 STTQEMY C35H54N8O15S 858.3429 NA PeJP NA NA +PJ056022 SSDKEMY C35H54N8O15S 858.343 NA PeJP NA NA +PJ056023 STYYYY C43H50N6O13 858.3436 NA PeJP NA NA +PJ056024 GVQMMMY C36H58N8O10S3 858.3438 NA PeJP NA NA +PJ056025 DDMHRW C36H50N12O11S 858.3443 NA PeJP NA NA +PJ056026 SSTTTTMM C32H58N8O15S2 858.3463 NA PeJP NA NA +PJ056027 SSDEEHR C32H50N12O16 858.3468 NA PeJP NA NA +PJ056028 STKMMMM C33H62N8O10S4 858.3472 NA PeJP NA NA +PJ056029 SPCEMHR C33H54N12O11S2 858.3477 NA PeJP NA NA +PJ056030 SNNNHHH C33H46N16O12 858.3481 NA PeJP NA NA +PJ056031 GGSNNHHH C33H46N16O12 858.3482 NA PeJP NA NA +PJ056032 AEMHWW C41H50N10O9S 858.3483 NA PeJP NA NA +PJ056033 GTTEEHW C37H50N10O14 858.3508 NA PeJP NA NA +PJ056034 GGGGAPEEW C37H50N10O14 858.3509 NA PeJP NA NA +PJ056035 TCMRYW C38H54N10O9S2 858.3517 NA PeJP NA NA +PJ056036 NEHHHW C38H46N14O10 858.3522 NA PeJP NA NA +PJ056037 ACFFWW C46H50N8O7S 858.3523 NA PeJP NA NA +PJ056038 SSSEMRY C34H54N10O14S 858.3542 NA PeJP NA NA +PJ056039 AQEYYW C42H50N8O12 858.3548 NA PeJP NA NA +PJ056040 GAAEYYW C42H50N8O12 858.3549 NA PeJP NA NA +PJ056041 QMMMRY C35H58N10O9S3 858.3551 NA PeJP NA NA +PJ056042 GSCNHRW C35H50N14O10S 858.3555 NA PeJP NA NA +PJ056043 GGGSCHRW C35H50N14O10S 858.3556 NA PeJP NA NA +PJ056044 MMHFFF C43H54N8O7S2 858.3557 NA PeJP NA NA +PJ056045 GSSSNDHR C31H50N14O15 858.358 NA PeJP NA NA +PJ056046 GGGSSSDHR C31H50N14O15 858.3581 NA PeJP NA NA +PJ056047 GTTTMYW C39H54N8O12S 858.3582 NA PeJP NA NA +PJ056048 GFFYYY C47H50N6O10 858.3589 NA PeJP NA NA +PJ056049 SSSSSLEY C35H54N8O17 858.3607 NA PeJP NA NA +PJ056050 GTKEMMY C36H58N8O12S2 858.3616 NA PeJP NA NA +PJ056051 GPNDDRW C36H50N12O13 858.3621 NA PeJP NA NA +PJ056052 PPCCHFR C37H54N12O8S2 858.3629 NA PeJP NA NA +PJ056053 GTEEMHR C33H54N12O13S 858.3654 NA PeJP NA NA +PJ056054 GGGPPTCDR C33H54N12O13S 858.3655 NA PeJP NA NA +PJ056055 TTEHWW C41H50N10O11 858.3661 NA PeJP NA NA +PJ056056 CMMRRY C34H58N12O8S3 858.3663 NA PeJP NA NA +PJ056057 GHHHWW C42H46N14O7 858.3674 NA PeJP NA NA +PJ056058 NNNNNNR C30H50N16O14 858.3693 NA PeJP NA NA +PJ056059 KEEMHW C38H54N10O11S 858.3695 NA PeJP NA NA +PJ056060 AAYYWW C46H50N8O9 858.3701 NA PeJP NA NA +PJ056061 GCCQHRR C31H54N16O9S2 858.3702 NA PeJP NA NA +PJ056062 SSSSSNKY C34H54N10O16 858.3719 NA PeJP NA NA +PJ056063 GGSSSSSKY C34H54N10O16 858.372 NA PeJP NA NA +PJ056064 GTTMMRY C35H58N10O11S2 858.3728 NA PeJP NA NA +PJ056065 GGGGGPPVMM C35H58N10O11S2 858.3729 NA PeJP NA NA +MJ096349 Olgose C37H62O22 858.373273 NA MeJP NA NA +PJ056066 GNNDHFR C35H50N14O12 858.3733 NA PeJP NA NA +PJ056067 PCKYYW C43H54N8O9S 858.3735 NA PeJP NA NA +PJ056068 STTTTYW C39H54N8O14 858.376 NA PeJP NA NA +PJ056069 SSNQMHR C32H54N14O12S 858.3767 NA PeJP NA NA +PJ056070 TKMMYW C40H58N8O9S2 858.3768 NA PeJP NA NA +PJ056071 PPPTMMW C40H58N8O9S2 858.3769 NA PeJP NA NA +PJ056072 NQQHFW C40H50N12O10 858.3773 NA PeJP NA NA +PJ056073 STTKEMY C36H58N8O14S 858.3793 NA PeJP NA NA +PJ056074 PPKEEEM C36H58N8O14S 858.3794 NA PeJP NA NA +PJ056075 GVKMMMY C37H62N8O9S3 858.3802 NA PeJP NA NA +PJ056076 TEMHRW C37H54N12O10S 858.3807 NA PeJP NA NA +PJ056077 GPQWWW C45H50N10O8 858.3813 NA PeJP NA NA +MJ096350 Serum thymic factor C33H54N12O15 858.383159 NA MeJP NA NA +PJ056078 STTEEHR C33H54N12O15 858.3832 NA PeJP NA NA +PJ056079 GVEMMHR C34H58N12O10S2 858.3841 NA PeJP NA NA +PJ056080 GSEHHHR C34H50N16O11 858.3845 NA PeJP NA NA +PJ056081 SLMHWW C42H54N10O8S 858.3847 NA PeJP NA NA +PJ056082 SSTLEHW C38H54N10O13 858.3872 NA PeJP NA NA +PJ056083 SSCNHRR C31H54N16O11S 858.3879 NA PeJP NA NA +PJ056084 AALMMHW C39H58N10O8S2 858.3881 NA PeJP NA NA +MJ096351 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C41H62O19 858.388529 NA MeJP NA NA +MJ096352 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C41H62O19 858.388529 NA MeJP NA NA +MJ096353 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-?-D-xylo-hexopyranoside] C41H62O19 858.388529 NA MeJP NA NA +MJ096354 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-ribo-hexopyranoside] C41H62O19 858.388529 NA MeJP NA NA +PJ056085 DKHHHW C39H50N14O9 858.3886 NA PeJP NA NA +PJ056086 STTTMRY C35H58N10O13S 858.3906 NA PeJP NA NA +PJ056087 PLEEWW C43H54N8O11 858.3912 NA PeJP NA NA +PJ056088 GGGVEFFF C43H54N8O11 858.3913 NA PeJP NA NA +PJ056089 KMMMRY C36H62N10O8S3 858.3915 NA PeJP NA NA +PJ056090 GLQMHHH C36H54N14O9S 858.3919 NA PeJP NA NA +PJ056091 PPHHWW C44H50N12O7 858.3926 NA PeJP NA NA +PJ056092 SPNDDRR C32H54N14O14 858.3944 NA PeJP NA NA +PJ056093 GGGGGGVNER C32H54N14O14 858.3945 NA PeJP NA NA +PJ056094 SPPLEMW C40H58N8O11S 858.3946 NA PeJP NA NA +PJ056095 EMMHRR C33H58N14O9S2 858.3953 NA PeJP NA NA +PJ056096 SSSTTTLY C36H58N8O16 858.3971 NA PeJP NA NA +PJ056097 SSLKMMY C37H62N8O11S2 858.398 NA PeJP NA NA +PJ056098 SSSQKHW C37H54N12O12 858.3984 NA PeJP NA NA +PJ056099 GSPQERW C37H54N12O12 858.3985 NA PeJP NA NA +PJ056100 VMMHRW C38H58N12O7S2 858.3993 NA PeJP NA NA +PJ056101 SHHHRW C38H50N16O8 858.3998 NA PeJP NA NA +PJ056102 SSLEMHR C34H58N12O12S 858.4018 NA PeJP NA NA +PJ056103 GGGGGGAAPKM C34H58N12O12S 858.4019 NA PeJP NA NA +PJ056104 PNKEWW C42H54N10O10 858.4025 NA PeJP NA NA +PJ056105 AAMHHHR C35H54N16O8S 858.4032 NA PeJP NA NA +MJ096355 Antibiotic BE 29602 C45H62O16 858.403785 NA MeJP NA NA +PJ056106 GNNNERR C31H54N16O13 858.4057 NA PeJP NA NA +PJ056107 ATTLMHW C39H58N10O10S 858.4058 NA PeJP NA NA +PJ056108 GGSPPKMW C39H58N10O10S 858.4059 NA PeJP NA NA +PJ056109 VNFFFW C47H54N8O8 858.4065 NA PeJP NA NA +PJ056110 SSSSLLEH C35H58N10O15 858.4083 NA PeJP NA NA +PJ056111 SPLEEER C35H58N10O15 858.4084 NA PeJP NA NA +PJ056112 SCCKKKY C36H62N10O10S2 858.4092 NA PeJP NA NA +PJ056113 NQQQRW C36H54N14O11 858.4097 NA PeJP NA NA +PJ056114 CLKFYW C44H58N8O8S 858.4099 NA PeJP NA NA +PJ056115 SPTTKYY C40H58N8O13 858.4123 NA PeJP NA NA +PJ056116 SPVLEEW C40H58N8O13 858.4124 NA PeJP NA NA +PJ056117 SSNKMHR C33H58N14O11S 858.413 NA PeJP NA NA +PJ056118 GPNEMRR C33H58N14O11S 858.4131 NA PeJP NA NA +PJ056119 PPVVMMW C41H62N8O8S2 858.4132 NA PeJP NA NA +PJ056120 SPQRWW C41H54N12O9 858.4137 NA PeJP NA NA +PJ056121 PLLQEEM C37H62N8O13S 858.4157 NA PeJP NA NA +PJ056122 GAPLLEEM C37H62N8O13S 858.4158 NA PeJP NA NA +PJ056123 AAPQMRW C38H58N12O9S 858.4171 NA PeJP NA NA +PJ056124 GPKWWW C46H54N10O7 858.4177 NA PeJP NA NA +PJ056125 SPNKEER C34H58N12O14 858.4196 NA PeJP NA NA +PJ056126 ATLMMHR C35H62N12O9S2 858.4204 NA PeJP NA NA +PJ056127 SVVMMHR C35H62N12O9S2 858.4205 NA PeJP NA NA +PJ056128 NNNRRW C35H54N16O10 858.4209 NA PeJP NA NA +PJ056129 TTTTLHW C39H58N10O12 858.4236 NA PeJP NA NA +PJ056130 GPCDRRR C32H58N16O10S 858.4243 NA PeJP NA NA +PJ056131 KMMFFR C40H62N10O7S2 858.4245 NA PeJP NA NA +C08856 Thevetin B C42H66O18 858.4249 NA KEGG NA NA +C12091 Cerberoside C42H66O18 858.4249 NA KEGG NA NA +MJ096356 2,3,19,24-Tetrahydroxy-12-ursene-23,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester C42H66O18 858.424915 NA MeJP NA NA +MJ096357 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-3-O-methyl-?-L-rhamnopyranoside] C42H66O18 858.424915 NA MeJP NA NA +MJ096358 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] C42H66O18 858.424915 NA MeJP NA NA +MJ096359 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-glucopyranoside] C42H66O18 858.424915 NA MeJP NA NA +MJ096360 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] C42H66O18 858.424915 NA MeJP NA NA +MJ096361 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] C42H66O18 858.424915 NA MeJP NA NA +MJ096362 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] C42H66O18 858.424915 NA MeJP NA NA +MJ096363 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-3-O-methyl-?-L-rhamnopyranoside] C42H66O18 858.424915 NA MeJP NA NA +MJ096364 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] C42H66O18 858.424915 NA MeJP NA NA +MJ096365 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] C42H66O18 858.424915 NA MeJP NA NA +MJ096366 Neriagenin; 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-diginoside] C42H66O18 858.424915 NA MeJP NA NA +PJ056132 GPKHHHF C40H54N14O8 858.425 NA PeJP NA NA +PJ056133 PVVEEMR C36H62N10O12S 858.427 NA PeJP NA NA +PJ056134 SLKYYW C44H58N8O10 858.4276 NA PeJP NA NA +PJ056135 PNMRRW C37H58N14O8S 858.4283 NA PeJP NA NA +PJ056136 AAQEERR C33H58N14O13 858.4308 NA PeJP NA NA +PJ056137 GGGGGGGGGAKK C33H58N14O13 858.4309 NA PeJP NA NA +PJ056138 APLLEMW C41H62N8O10S 858.431 NA PeJP NA NA +PJ056139 PPCCKRR C34H62N14O8S2 858.4317 NA PeJP NA NA +PJ056140 VLLQEEE C37H62N8O15 858.4335 NA PeJP NA NA +PJ056141 GPPTLLMM C38H66N8O10S2 858.4344 NA PeJP NA NA +PJ056142 GSPKERW C38H58N12O11 858.4348 NA PeJP NA NA +PJ056143 GGAALERW C38H58N12O11 858.4349 NA PeJP NA NA +PJ056144 TTTLMHR C35H62N12O11S 858.4382 NA PeJP NA NA +MJ096367 Cyclotheonamide E; Cyclotheonamide E C43H58N10O9 858.438823 NA MeJP NA NA +PJ056145 PDKKWW C43H58N10O9 858.4389 NA PeJP NA NA +MJ096368 24(23?22)-Abeo-16,23-epoxycholesta-5,24-diene-3,18,23-triol, 3-O-[(4-Hydroxybenzoyl)(?3)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C46H66O15 858.440171 NA MeJP NA NA +PJ056146 GNNDKRR C32H58N16O12 858.442 NA PeJP NA NA +PJ056147 NEERRR C32H58N16O12 858.4421 NA PeJP NA NA +PJ056148 GPLQKMW C40H62N10O9S 858.4422 NA PeJP NA NA +PJ056149 ALLEEER C36H62N10O14 858.4447 NA PeJP NA NA +PJ056150 GGGALLDKE C36H62N10O14 858.4448 NA PeJP NA NA +PJ056151 SLLKMMH C37H66N10O9S2 858.4456 NA PeJP NA NA +PJ056152 VNERRW C37H58N14O10 858.4461 NA PeJP NA NA +MJ096369 N-Deacyltunicamycin; N4''-(14-Methyl-2-hexadecenoyl) C40H66N4O16 858.447382 NA MeJP NA NA +MJ096370 N-Deacyltunicamycin; N4''-(15-Methyl-2-hexadecenoyl) C40H66N4O16 858.447382 NA MeJP NA NA +MJ096371 N-Deacyltunicamycin; N4''-(2-Heptadecenoyl) C40H66N4O16 858.447382 NA MeJP NA NA +PJ056153 PTTLLEW C41H62N8O12 858.4487 NA PeJP NA NA +PJ056154 GLLLEEW C41H62N8O12 858.4488 NA PeJP NA NA +PJ056155 APTQMRR C34H62N14O10S 858.4494 NA PeJP NA NA +PJ056156 GPDKMRR C34H62N14O10S 858.4495 NA PeJP NA NA +PJ056157 SPKRWW C42H58N12O8 858.4501 NA PeJP NA NA +PJ056158 PLLKEEM C38H66N8O12S 858.4521 NA PeJP NA NA +PJ056159 GSNNRRR C31H58N18O11 858.4533 NA PeJP NA NA +PJ056160 AAPKMRW C39H62N12O8S 858.4535 NA PeJP NA NA +PJ056161 VTQQQQK C35H62N12O13 858.4559 NA PeJP NA NA +PJ056162 GLQKEER C35H62N12O13 858.456 NA PeJP NA NA +PJ056163 PPCKKMR C36H66N12O8S2 858.4568 NA PeJP NA NA +PJ056164 GERRRW C36H58N16O9 858.4573 NA PeJP NA NA +PJ056165 APTKKEW C40H62N10O11 858.46 NA PeJP NA NA +PJ056166 GSPMRRR C33H62N16O9S 858.4607 NA PeJP NA NA +MJ096372 Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-xylopyranosyl-(1?4)-?-D-digitoxopyranoside] C43H70O17 858.4613 NA MeJP NA NA +PJ056167 GVRRWW C41H58N14O7 858.4613 NA PeJP NA NA +PJ056168 PTLLEMR C37H66N10O11S 858.4634 NA PeJP NA NA +MJ096373 Psammosilenin B C45H62N8O9 858.463975 NA MeJP NA NA +PJ056169 LLLEWW C45H62N8O9 858.464 NA PeJP NA NA +PJ056170 LMHFRR C38H62N14O7S 858.4647 NA PeJP NA NA +PJ056171 AAKEERR C34H62N14O12 858.4672 NA PeJP NA NA +PJ056172 SPLLLMW C42H66N8O9S 858.4674 NA PeJP NA NA +PJ056173 VLLKEEE C38H66N8O14 858.4699 NA PeJP NA NA +PJ056174 AAPLLLMM C39H70N8O9S2 858.4708 NA PeJP NA NA +PJ056175 LQKERW C39H62N12O10 858.4712 NA PeJP NA NA +PJ056176 RRRWW C40H58N16O6 858.4726 NA PeJP NA NA +PJ056177 APKKEMR C36H66N12O10S 858.4746 NA PeJP NA NA +PJ056178 VLQKWW C44H62N10O8 858.4752 NA PeJP NA NA +PJ056179 GGLLKWW C44H62N10O8 858.4753 NA PeJP NA NA +MJ096374 Avermectin B1a; 3''-O-De-Me C47H70O14 858.476556 NA MeJP NA NA +MJ096375 Avermectin B1b C47H70O14 858.476556 NA MeJP NA NA +MJ096376 Pectenotoxin 1; 43-Deoxy C47H70O14 858.476556 NA MeJP NA NA +C11967 Avermectin B1b C47H70O14 858.4766 NA KEGG NA NA +8092 peptide derived from bovine aS2-casein EEEKNRLTKKTKLT 858.47745 MH2+ Inhouse_peptide NA peptide +PJ056180 DKERRR C33H62N16O11 858.4784 NA PeJP NA NA +PJ056181 GGGGATKRR C33H62N16O11 858.4785 NA PeJP NA NA +PJ056182 GPLKKMW C41H66N10O8S 858.4786 NA PeJP NA NA +PJ056183 SLLLEER C37H66N10O13 858.4811 NA PeJP NA NA +PJ056184 PVLLMMR C38H70N10O8S2 858.482 NA PeJP NA NA +MJ096377 1-Hexadecanol; O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C40H74O19 858.48243 NA MeJP NA NA +PJ056185 VDKRRW C38H62N14O9 858.4825 NA PeJP NA NA +PJ056186 SVLLLEW C42H66N8O11 858.4851 NA PeJP NA NA +PJ056187 GAPLLLEF C42H66N8O11 858.4852 NA PeJP NA NA +PJ056188 APTKMRR C35H66N14O9S 858.4858 NA PeJP NA NA +PJ056189 ALKRWW C43H62N12O7 858.4865 NA PeJP NA NA +PJ056190 LLLLQEM C39H70N8O11S 858.4885 NA PeJP NA NA +PJ056191 SERRRR C32H62N18O10 858.4897 NA PeJP NA NA +PJ056192 PTTKKER C36H66N12O12 858.4923 NA PeJP NA NA +PJ056193 GLKKEER C36H66N12O12 858.4924 NA PeJP NA NA +PJ056194 SVRRRW C37H62N16O8 858.4937 NA PeJP NA NA +PJ056195 GVLKKEW C41H66N10O10 858.4964 NA PeJP NA NA +PJ056196 LQMRRR C34H66N16O8S 858.4971 NA PeJP NA NA +MJ096378 Semduramicin; O4'-De-Me C44H74O16 858.497686 NA MeJP NA NA +MJ096379 Semduramicin; O6-De-Me C44H74O16 858.497686 NA MeJP NA NA +PJ056197 CLLLLER C38H70N10O10S 858.4997 NA PeJP NA NA +PJ056198 VVLLEMR C38H70N10O10S 858.4998 NA PeJP NA NA +PJ056199 APLLLFW C46H66N8O8 858.5004 NA PeJP NA NA +PJ056200 GTLKERR C35H66N14O11 858.5036 NA PeJP NA NA +PJ056201 ALLLLMW C43H70N8O8S 858.5038 NA PeJP NA NA +PJ056202 GTTLLLLE C39H70N8O13 858.5063 NA PeJP NA NA +PJ056203 LKKERW C40H66N12O9 858.5076 NA PeJP NA NA +PJ056204 CLRRRR C33H66N18O7S 858.5083 NA PeJP NA NA +PJ056205 SPLKKMR C37H70N12O9S 858.511 NA PeJP NA NA +PJ056206 VLKKWW C45H66N10O7 858.5116 NA PeJP NA NA +MJ096380 12-Oleanene-3,16,21,22,24,28-hexol, 16-Ac, 21-O-(3,4-diangeloyl-?-D-fucopyranoside) C48H74O13 858.512942 NA MeJP NA NA +PJ056207 GTTLRRR C34H66N16O10 858.5148 NA PeJP NA NA +PJ056208 VVKKKEE C38H70N10O12 858.5175 NA PeJP NA NA +PJ056209 TLKRRW C39H66N14O8 858.5188 NA PeJP NA NA +PJ056210 GGKKKRW C39H66N14O8 858.5189 NA PeJP NA NA +PJ056211 TTLLLLW C43H70N8O10 858.5215 NA PeJP NA NA +PJ056212 GVLKMRR C36H70N14O8S 858.5222 NA PeJP NA NA +PJ056213 LLLLKEM C40H74N8O10S 858.5249 NA PeJP NA NA +HMDB09789 PI(16:0/20:4(5Z,8Z,11Z,14Z)) C45H79O13P 858.525818 NA HMDB2010 NA NA +HMDB09790 PI(16:0/20:4(8Z,11Z,14Z,17Z)) C45H79O13P 858.525818 NA HMDB2010 NA NA +HMDB09827 PI(18:1(11Z)/18:3(6Z,9Z,12Z)) C45H79O13P 858.525818 NA HMDB2010 NA NA +HMDB09828 PI(18:1(11Z)/18:3(9Z,12Z,15Z)) C45H79O13P 858.525818 NA HMDB2010 NA NA +HMDB09839 PI(18:1(9Z)/18:3(6Z,9Z,12Z)) C45H79O13P 858.525818 NA HMDB2010 NA NA +HMDB09840 PI(18:1(9Z)/18:3(9Z,12Z,15Z)) C45H79O13P 858.525818 NA HMDB2010 NA NA +HMDB09850 PI(18:2(9Z,12Z)/18:2(9Z,12Z)) C45H79O13P 858.525818 NA HMDB2010 NA NA +HMDB09859 PI(18:3(6Z,9Z,12Z)/18:1(11Z)) C45H79O13P 858.525818 NA HMDB2010 NA NA +HMDB09860 PI(18:3(6Z,9Z,12Z)/18:1(9Z)) C45H79O13P 858.525818 NA HMDB2010 NA NA +HMDB09863 PI(18:3(9Z,12Z,15Z)/18:1(11Z)) C45H79O13P 858.525818 NA HMDB2010 NA NA +HMDB09864 PI(18:3(9Z,12Z,15Z)/18:1(9Z)) C45H79O13P 858.525818 NA HMDB2010 NA NA +HMDB09893 PI(20:4(5Z,8Z,11Z,14Z)/16:0) C45H79O13P 858.525818 NA HMDB2010 NA NA +HMDB09899 PI(20:4(8Z,11Z,14Z,17Z)/16:0) C45H79O13P 858.525818 NA HMDB2010 NA NA +PJ056214 SVLKKER C37H70N12O11 858.5287 NA PeJP NA NA +PJ056215 GAAKKKKE C37H70N12O11 858.5288 NA PeJP NA NA +PJ056216 PKFRRR C38H66N16O7 858.5301 NA PeJP NA NA +PJ056217 ATLLKKW C42H70N10O9 858.5328 NA PeJP NA NA +PJ056218 LKMRRR C35H70N16O7S 858.5335 NA PeJP NA NA +PJ056219 TLLLLMR C39H74N10O9S 858.5361 NA PeJP NA NA +PJ056220 SSLLKRR C36H70N14O10 858.54 NA PeJP NA NA +PJ056221 SSTIILLL C40H74N8O12 858.5426 NA PeJP NA NA +PJ056222 SSTLLLLL C40H74N8O12 858.5427 NA PeJP NA NA +PJ056223 AAKKKKW C41H70N12O8 858.544 NA PeJP NA NA +PJ056224 ALLKKMR C38H74N12O8S 858.5474 NA PeJP NA NA +PJ056225 GSKKKRR C35H70N16O9 858.5512 NA PeJP NA NA +PJ056226 TLLKKKE C39H74N10O11 858.5539 NA PeJP NA NA +PJ056227 PLLLLKY C44H74N8O9 858.5579 NA PeJP NA NA +PJ056228 TTLLKKR C38H74N12O10 858.5651 NA PeJP NA NA +PJ056229 VVLLLFR C43H74N10O8 858.5691 NA PeJP NA NA +C04509 di-trans,poly-cis-Decaprenyl diphosphate C50H84O7P2 858.5692 NA KEGG NA NA +C04510 tRNA 3-(3-amino-3-carboxypropyl)-uridine C13H20N3O11P 858.5692 NA KEGG NA NA +C04511 tRNA(Asp)-O-5''-beta-D-mannosylqueuosine C33H49N5O24P2R2 858.5692 NA KEGG NA NA +C04512 trans,trans-2,3,4,5-Tetradehydroacyl-CoA C26H39N7O17P3SR 858.5692 NA KEGG NA NA +C17432 all-trans-Decaprenyl diphosphate C50H84O7P2 858.5692 NA KEGG NA NA +PJ056230 PVLKKKF C43H74N10O8 858.5692 NA PeJP NA NA +MetaCyc04200 di-trans,poly-cis-decaprenyl diphosphate [di-trans-poly-cis-decaprenyl diphosphate;] C50H84O7P2 858.569228 NA metacyc NA NA +PJ056231 VLLKKKM C40H78N10O8S 858.5725 NA PeJP NA NA +PJ056232 ATKKKKR C37H74N14O9 858.5764 NA PeJP NA NA +PJ056233 LLLLLKF C45H78N8O8 858.5943 NA PeJP NA NA +PJ056234 SLKKKKK C39H78N12O9 858.6015 NA PeJP NA NA +HMDB05369 TG(16:0/18:0/18:2(9Z,12Z))[iso6] C55H102O6 858.767639 NA HMDB2010 NA NA +HMDB05378 TG(16:0/16:1(9Z)/20:1(11Z))[iso6] C55H102O6 858.767639 NA HMDB2010 NA NA +HMDB05382 TG(16:0/18:1(9Z)/18:1(9Z))[iso3] C55H102O6 858.767639 NA HMDB2010 NA NA +HMDB05423 TG(16:1(9Z)/18:0/18:1(9Z))[iso6] C55H102O6 858.767639 NA HMDB2010 NA NA +HMDB05431 TG(16:1(9Z)/16:1(9Z)/20:0)[iso3] C55H102O6 858.767639 NA HMDB2010 NA NA +HMDB10425 TG(16:1(9Z)/18:0/18:1(11Z))[iso6] C55H102O6 858.767639 NA HMDB2010 NA NA +HMDB10437 TG(18:1(11Z)/16:0/18:1(11Z))[iso3] C55H102O6 858.767639 NA HMDB2010 NA NA +HMDB10438 TG(18:1(11Z)/16:0/18:1(9Z))[iso6] C55H102O6 858.767639 NA HMDB2010 NA NA +HMDB05369 TG(16:0/18:0/18:2(9Z,12Z))[iso6] C55H102O6 858.76764 http://www.hmdb.ca/metabolites/HMDB05369 HMDB NA NA +HMDB05378 TG(16:0/16:1(9Z)/20:1(11Z))[iso6] C55H102O6 858.76764 http://www.hmdb.ca/metabolites/HMDB05378 HMDB NA NA +HMDB05382 TG(16:0/18:1(9Z)/18:1(9Z))[iso3] C55H102O6 858.76764 http://www.hmdb.ca/metabolites/HMDB05382 HMDB NA NA +HMDB05423 TG(16:1(9Z)/18:0/18:1(9Z))[iso6] C55H102O6 858.76764 http://www.hmdb.ca/metabolites/HMDB05423 HMDB NA NA +HMDB05431 TG(16:1(9Z)/16:1(9Z)/20:0)[iso3] C55H102O6 858.76764 http://www.hmdb.ca/metabolites/HMDB05431 HMDB NA NA +MJ096381 Glycerol trialkanoates (diacid, unsymmetrical); Glycerol 1,2-dihexadecanoate 3-(8Z,11Z-eicosadienoate) C55H102O6 858.76764 NA MeJP NA NA +HMDB05369 TG(16:0/18:0/18:2(9Z,12Z))[iso6] C55H102O6 858.76764 HMDB05369 PFEM_hmdb_metabocards_official NA NA +HMDB05378 TG(16:0/16:1(9Z)/20:1(11Z))[iso6] C55H102O6 858.76764 HMDB05378 PFEM_hmdb_metabocards_official NA NA +HMDB05382 TG(16:0/18:1(9Z)/18:1(9Z))[iso3] C55H102O6 858.76764 HMDB05382 PFEM_hmdb_metabocards_official NA NA +HMDB05423 TG(16:1(9Z)/18:0/18:1(9Z))[iso6] C55H102O6 858.76764 HMDB05423 PFEM_hmdb_metabocards_official NA NA +HMDB05431 TG(16:1(9Z)/16:1(9Z)/20:0)[iso3] C55H102O6 858.76764 HMDB05431 PFEM_hmdb_metabocards_official NA NA +FL7AAGGL0037 Delphinidin 3-(6''-O-4-malyl-glucoside)-5-(6'''-O-1-malyl-glucoside) C35H39O25 859.17804 592522-40-2 knapsack NA NA +PJ056235 PCCCCCND C28H45N9O12S5 859.1792 NA PeJP NA NA +PJ056236 CCCCCYY C33H45N7O10S5 859.1832 NA PeJP NA NA +FL7AACGL0054 Cyanidin 3-(6''-caffeylglucoside)-5-(6'''-malonylglucoside) C39H39O22 859.19329 - knapsack NA NA +FL7AACGL0059 Cyanidin 3-(6''-malonylglucoside-3'-(6'''-caffeylglucoside) C39H39O22 859.19329 150447-30-6 knapsack NA NA +FL7AAGGL0023 Malonylawobanin;Delphinidin 3-(6''-(E)-p-coumaroylglucoside)-5-(6''-malonylglucoside) C39H39O22 859.19329 88399-23-9<BR>105418-99-3<BR>136031-07-7 knapsack NA NA +FL7AAGGL0065 Delphinidin 3-(6-(Z)-p-coumaroylglucoside)-5-(6-malonylglucoside) C39H39O22 859.19329 138752-16-6 knapsack NA NA +MetaCyc04201 malonylshisonin [] C39H39O22 859.193298 NA metacyc NA NA +C08653 Malonylawobanin C39H39O22 859.1933 NA KEGG NA NA +PJ056237 GCCCNDDM C28H45N9O14S4 859.1969 NA PeJP NA NA +PJ056238 SCCCCNNN C27H45N11O13S4 859.2081 NA PeJP NA NA +PJ056239 GGSCCCCNN C27H45N11O13S4 859.2082 NA PeJP NA NA +PJ056240 CCCCNEW C32H45N9O11S4 859.2122 NA PeJP NA NA +FL7AACGL0065 Cyanidin 3-(6''-malonylsophoroside)-5-glucoside C36H43O24 859.21442 63003-09-8<BR>117829-27-3 knapsack NA NA +FL7AACGL0113 Cyanidin 3-(3-glucosyl-6-malonylglucoside)-4'-glucoside C36H43O24 859.21442 651768-27-3 knapsack NA NA +FL7AACGS0007 Cyanidin 7-(3-glucosyl-6-malonylglucoside)-4'-glucoside C36H43O24 859.21442 651768-28-4 knapsack NA NA +FL7AAGGL0044 Delphinidin 3-neohesperidoside-7-(6-malonylglucoside) C36H43O24 859.21442 225650-02-2 knapsack NA NA +PJ056241 SSCCCNDE C28H45N9O16S3 859.2147 NA PeJP NA NA +PJ056242 SPCCCCNM C29H49N9O11S5 859.2155 NA PeJP NA NA +PJ056243 GGSPCCCCM C29H49N9O11S5 859.2156 NA PeJP NA NA +PJ056244 CDDDDDY C32H41N7O19S 859.2178 NA PeJP NA NA +PJ056245 CDDDMMM C30H49N7O14S4 859.2221 NA PeJP NA NA +PJ056246 GCCCCWW C36H45N9O8S4 859.2274 NA PeJP NA NA +PJ056247 GSSCCCDW C32H45N9O13S3 859.2299 NA PeJP NA NA +PJ056248 GSSSSCCDD C28H45N9O18S2 859.2324 NA PeJP NA NA +PJ056249 GSCCNDMM C29H49N9O13S4 859.2333 NA PeJP NA NA +PJ056250 CDDDDMF C33H45N7O16S2 859.2365 NA PeJP NA NA +PJ056251 CCDDMHH C31H45N11O12S3 859.2412 NA PeJP NA NA +PJ056252 GSCCCCER C28H49N11O12S4 859.2445 NA PeJP NA NA +PJ056253 DDDDDEH C31H41N9O20 859.2468 NA PeJP NA NA +PJ056254 CCNNDEY C32H45N9O15S2 859.2477 NA PeJP NA NA +PJ056255 SCCCQMW C33H49N9O10S4 859.2486 NA PeJP NA NA +PJ056256 SSTCCCQE C29H49N9O15S3 859.251 NA PeJP NA NA +PJ056257 SSSCCNEM C29H49N9O15S3 859.2511 NA PeJP NA NA +PJ056258 CCNQMMM C30H53N9O10S5 859.2519 NA PeJP NA NA +PJ056259 GSCCCNHH C30H45N13O11S3 859.2524 NA PeJP NA NA +PJ056260 SDDDDMY C33H45N7O18S 859.2542 NA PeJP NA NA +PJ056261 PCCDEMY C34H49N7O13S3 859.2551 NA PeJP NA NA +PJ056262 SCEEMMM C31H53N7O13S4 859.2584 NA PeJP NA NA +PJ056263 SDDMMMM C31H53N7O13S4 859.2585 NA PeJP NA NA +PJ056264 GPCCNDDH C31H45N11O14S2 859.2589 NA PeJP NA NA +PJ056265 SCCCCRW C32H49N11O9S4 859.2598 NA PeJP NA NA +PJ056266 SSSCCCDR C28H49N11O14S3 859.2623 NA PeJP NA NA +PJ056267 GCCNDYW C36H45N9O12S2 859.2629 NA PeJP NA NA +PJ056268 GGGCCDYW C36H45N9O12S2 859.263 NA PeJP NA NA +PJ056269 CCCNMMR C29H53N11O9S5 859.2632 NA PeJP NA NA +PJ056270 GSSCNDDY C32H45N9O17S 859.2654 NA PeJP NA NA +PJ056271 GGGSSCDDY C32H45N9O17S 859.2655 NA PeJP NA NA +PJ056272 GSSSCCMW C33H49N9O12S3 859.2663 NA PeJP NA NA +PJ056273 GSSSSSCDM C29H49N9O17S2 859.2688 NA PeJP NA NA +PJ056274 GSSCNMMM C30H53N9O12S4 859.2697 NA PeJP NA NA +PJ056275 GDDEMMY C34H49N7O15S2 859.2728 NA PeJP NA NA +PJ056276 PCCEMMF C35H53N7O10S4 859.2737 NA PeJP NA NA +PJ056277 NNDDDMH C31H45N11O16S 859.2767 NA PeJP NA NA +PJ056278 GEMMMMM C32H57N7O10S5 859.2771 NA PeJP NA NA +PJ056279 CCCNDFR C32H49N11O11S3 859.2775 NA PeJP NA NA +PJ056280 GGCCCDFR C32H49N11O11S3 859.2776 NA PeJP NA NA +PJ056281 GSTCCCMR C29H53N11O11S4 859.2809 NA PeJP NA NA +PJ056282 GCCNMFW C37H49N9O9S3 859.2816 NA PeJP NA NA +PJ056283 SDDEEEH C32H45N9O19 859.2832 NA PeJP NA NA +PJ056284 SSSSTCCW C33H49N9O14S2 859.2841 NA PeJP NA NA +PJ056285 SCCCKMW C34H53N9O9S4 859.2849 NA PeJP NA NA +PJ056286 GPCCCCKF C34H53N9O9S4 859.285 NA PeJP NA NA +PJ056287 SSSSSSSCE C29H49N9O19S 859.2866 NA PeJP NA NA +PJ056288 GDDDEFY C37H45N7O17 859.2872 NA PeJP NA NA +PJ056289 SSSSCQMM C30H53N9O14S3 859.2874 NA PeJP NA NA +PJ056290 GSCNNNDH C30H45N13O15S 859.2879 NA PeJP NA NA +PJ056291 DDMMYW C38H49N7O12S2 859.2881 NA PeJP NA NA +PJ056292 CCNKMMM C31H57N9O9S5 859.2883 NA PeJP NA NA +PJ056293 SSDEEMY C34H49N7O17S 859.2906 NA PeJP NA NA +PJ056294 SPCEMMY C35H53N7O12S3 859.2915 NA PeJP NA NA +PJ056295 GCNDEHW C35H45N11O13S 859.2919 NA PeJP NA NA +PJ056296 GGGCDEHW C35H45N11O13S 859.292 NA PeJP NA NA +PJ056297 MMMMMW C36H57N7O7S5 859.2923 NA PeJP NA NA +PJ056298 GSSNDDEH C31H45N11O18 859.2944 NA PeJP NA NA +PJ056299 GGGSTDDDH C31H45N11O18 859.2945 NA PeJP NA NA +PJ056300 STEMMMM C32H57N7O12S4 859.2948 NA PeJP NA NA +PJ056301 SCCNDRY C32H49N11O13S2 859.2953 NA PeJP NA NA +PJ056302 ACMMMHH C33H53N11O8S4 859.2962 NA PeJP NA NA +PJ056303 SCCHHHH C33H45N15O9S2 859.2966 NA PeJP NA NA +PJ056304 GNNDDYY C36H45N9O16 859.2985 NA PeJP NA NA +PJ056305 SSSSCCMR C29H53N11O13S3 859.2987 NA PeJP NA NA +PJ056306 GSCNMYW C37H49N9O11S2 859.2993 NA PeJP NA NA +PJ056307 GSSSNDMY C33H49N9O16S 859.3018 NA PeJP NA NA +PJ056308 GGGPPDDDM C33H49N9O16S 859.3019 NA PeJP NA NA +PJ056309 DDDFYW C41H45N7O14 859.3025 NA PeJP NA NA +PJ056310 GNNMMMY C34H53N9O11S3 859.3027 NA PeJP NA NA +PJ056311 PCDDHHH C34H45N13O12S 859.3032 NA PeJP NA NA +PJ056312 GSSSSSSMM C30H53N9O16S2 859.3052 NA PeJP NA NA +PJ056313 APCDEYY C38H49N7O14S 859.3058 NA PeJP NA NA +PJ056314 GPDDMYY C38H49N7O14S 859.3059 NA PeJP NA NA +PJ056315 GSTCCKMM C31H57N9O11S4 859.3061 NA PeJP NA NA +PJ056316 CNNNQMH C31H49N13O12S2 859.3065 NA PeJP NA NA +PJ056317 GGGGCNQMH C31H49N13O12S2 859.3066 NA PeJP NA NA +PJ056318 DMMMFW C39H53N7O9S3 859.3067 NA PeJP NA NA +PJ056319 CNDHWW C39H45N11O10S 859.3072 NA PeJP NA NA +PJ056320 GTEEMMY C35H53N7O14S2 859.3092 NA PeJP NA NA +PJ056321 SSNDDHW C35H45N11O15 859.3097 NA PeJP NA NA +PJ056322 GPMMMMY C36H57N7O9S4 859.3101 NA PeJP NA NA +PJ056323 SPCCQHW C36H49N11O10S2 859.3106 NA PeJP NA NA +PJ056324 SNNEEMH C32H49N11O15S 859.3131 NA PeJP NA NA +PJ056325 SVMMMMM C33H61N7O9S5 859.3135 NA PeJP NA NA +PJ056326 GCCQMRY C33H53N11O10S3 859.3139 NA PeJP NA NA +PJ056327 GGGAPCMMH C33H53N11O10S3 859.314 NA PeJP NA NA +PJ056328 GCCHFFF C41H49N9O8S2 859.3146 NA PeJP NA NA +PJ056329 SSSCQYW C37H49N9O13S 859.3171 NA PeJP NA NA +PJ056330 CCNNNHR C30H49N15O11S2 859.3178 NA PeJP NA NA +PJ056331 ACCCKFW C38H53N9O8S3 859.318 NA PeJP NA NA +PJ056332 SSSSSNEY C33H49N9O18 859.3196 NA PeJP NA NA +PJ056333 SSNQMMY C34H53N9O13S2 859.3204 NA PeJP NA NA +PJ056334 GGSSQMMY C34H53N9O13S2 859.3205 NA PeJP NA NA +PJ056335 GDEEHHH C34H45N13O14 859.3209 NA PeJP NA NA +PJ056336 PCEYYW C42H49N7O11S 859.3211 NA PeJP NA NA +PJ056337 SSSSSSSTM C30H53N9O18S 859.3229 NA PeJP NA NA +PJ056338 QEEEYY C38H49N7O16 859.3236 NA PeJP NA NA +PJ056339 SSSSCKMM C31H57N9O13S3 859.3238 NA PeJP NA NA +PJ056340 SCNDEHR C31H49N13O14S 859.3243 NA PeJP NA NA +PJ056341 TEMMYW C39H53N7O11S2 859.3245 NA PeJP NA NA +PJ056342 GCCCRRY C32H53N13O9S3 859.3252 NA PeJP NA NA +PJ056343 CMHHFW C40H49N11O7S2 859.3258 NA PeJP NA NA +PJ056344 STTEEMY C35H53N7O16S 859.327 NA PeJP NA NA +PJ056345 AVDMMMY C36H57N7O11S3 859.3278 NA PeJP NA NA +PJ056346 GVEMMMY C36H57N7O11S3 859.3279 NA PeJP NA NA +PJ056347 GSNEMHW C36H49N11O12S 859.3283 NA PeJP NA NA +PJ056348 PNDDDER C32H49N11O17 859.3308 NA PeJP NA NA +PJ056349 GGGGGGGSPEE C32H49N11O17 859.3309 NA PeJP NA NA +PJ056350 SSCNMRY C33H53N11O12S2 859.3317 NA PeJP NA NA +PJ056351 SNNDHHH C33H45N15O13 859.3322 NA PeJP NA NA +PJ056352 GPPCDWW C41H49N9O10S 859.3323 NA PeJP NA NA +PJ056353 GGGACFYW C41H49N9O10S 859.3324 NA PeJP NA NA +PJ056354 GSSSSSYW C37H49N9O15 859.3348 NA PeJP NA NA +PJ056355 GPNEEEW C37H49N9O15 859.3349 NA PeJP NA NA +PJ056356 GTCCKYW C38H53N9O10S2 859.3357 NA PeJP NA NA +PJ056357 DEHHHW C38H45N13O11 859.3362 NA PeJP NA NA +PJ056358 GSSSTQMY C34H53N9O15S 859.3382 NA PeJP NA NA +PJ056359 AEEYYW C42H49N7O13 859.3389 NA PeJP NA NA +PJ056360 EMMMRY C35H57N9O10S3 859.3391 NA PeJP NA NA +PJ056361 GSCDHRW C35H49N13O11S 859.3396 NA PeJP NA NA +PJ056362 PPCCFFF C43H53N7O8S2 859.3397 NA PeJP NA NA +PJ056363 SSSSNNQH C31H49N13O16 859.342 NA PeJP NA NA +PJ056364 GSSSDDHR C31H49N13O16 859.3421 NA PeJP NA NA +PJ056365 GPTEMYY C39H53N7O13S 859.3422 NA PeJP NA NA +PJ056366 GNDMMHR C32H53N13O11S2 859.3429 NA PeJP NA NA +PJ056367 GGGGGPPCCR C32H53N13O11S2 859.343 NA PeJP NA NA +PJ056368 VMMMYW C40H57N7O8S3 859.3431 NA PeJP NA NA +PJ056369 SNMHWW C40H49N11O9S 859.3436 NA PeJP NA NA +PJ056370 PVEEEEE C35H53N7O18 859.3447 NA PeJP NA NA +PJ056371 SSLEMMY C36H57N7O13S2 859.3456 NA PeJP NA NA +PJ056372 GPDDDRW C36H49N11O14 859.3461 NA PeJP NA NA +PJ056373 GLMMMMF C37H61N7O8S4 859.3465 NA PeJP NA NA +PJ056374 QQMMHW C37H53N11O9S2 859.3469 NA PeJP NA NA +PJ056375 GAQMMHW C37H53N11O9S2 859.347 NA PeJP NA NA +PJ056376 GSSSTCRY C33H53N11O14S 859.3494 NA PeJP NA NA +PJ056377 GSPPCDER C33H53N11O14S 859.3495 NA PeJP NA NA +PJ056378 PNEEWW C41H49N9O12 859.3501 NA PeJP NA NA +PJ056379 GCCKMRY C34H57N11O9S3 859.3503 NA PeJP NA NA +PJ056380 GNQMHHH C34H49N15O10S 859.3508 NA PeJP NA NA +PJ056381 NNNNNDR C30H49N15O15 859.3533 NA PeJP NA NA +PJ056382 SSSCKYW C38H53N9O12S 859.3535 NA PeJP NA NA +PJ056383 GCCEHRR C31H53N15O10S2 859.3542 NA PeJP NA NA +PJ056384 SSSSSDKY C34H53N9O17 859.356 NA PeJP NA NA +PJ056385 SSNKMMY C35H57N9O12S2 859.3568 NA PeJP NA NA +PJ056386 GAPPQEMM C35H57N9O12S2 859.3569 NA PeJP NA NA +PJ056387 GNNNQQW C35H49N13O13 859.3573 NA PeJP NA NA +PJ056388 GGGGGGGGGAAW C35H49N13O13 859.3574 NA PeJP NA NA +PJ056389 PTMYYW C43H53N7O10S 859.3575 NA PeJP NA NA +PJ056390 CQMHRW C36H53N13O8S2 859.3582 NA PeJP NA NA +PJ056391 KEEEYY C39H53N7O15 859.36 NA PeJP NA NA +PJ056392 SSNEMHR C32H53N13O13S 859.3607 NA PeJP NA NA +PJ056393 GPVMMYY C40H57N7O10S2 859.3609 NA PeJP NA NA +PJ056394 GSSTHWW C40H49N11O11 859.3613 NA PeJP NA NA +PJ056395 GGGGGSPWW C40H49N11O11 859.3614 NA PeJP NA NA +PJ056396 GCNHHHR C33H49N17O9S 859.362 NA PeJP NA NA +PJ056397 ATLMMMY C37H61N7O10S3 859.3642 NA PeJP NA NA +PJ056398 SPPCDRW C37H53N11O11S 859.3647 NA PeJP NA NA +PJ056399 GPEWWW C45H49N9O9 859.3654 NA PeJP NA NA +PJ056400 SSSSSSRY C33H53N11O16 859.3672 NA PeJP NA NA +PJ056401 STCCKRY C34H57N11O11S2 859.3681 NA PeJP NA NA +PJ056402 SSQQHHH C34H49N15O12 859.3685 NA PeJP NA NA +PJ056403 GGSTQHHH C34H49N15O12 859.3686 NA PeJP NA NA +PJ056404 GSPPMWW C42H53N9O9S 859.3687 NA PeJP NA NA +PJ056405 CCHRRW C35H53N15O7S2 859.3694 NA PeJP NA NA +PJ056406 GPDKEEW C38H53N9O14 859.3712 NA PeJP NA NA +PJ056407 GGGAPPEEF C38H53N9O14 859.3713 NA PeJP NA NA +PJ056408 SSCDHRR C31H53N15O12S 859.3719 NA PeJP NA NA +PJ056409 APPQMMW C39H57N9O9S2 859.3721 NA PeJP NA NA +PJ056410 GPEHHHF C39H49N13O10 859.3726 NA PeJP NA NA +PJ056411 GSSSTKMY C35H57N9O14S 859.3746 NA PeJP NA NA +PJ056412 SLEYYW C43H53N7O12 859.3752 NA PeJP NA NA +PJ056413 AAPEFYY C43H53N7O12 859.3753 NA PeJP NA NA +PJ056414 GCKKMMY C36H61N9O9S3 859.3755 NA PeJP NA NA +PJ056415 GSSMHRW C36H53N13O10S 859.3759 NA PeJP NA NA +PJ056416 GGGPCQRW C36H53N13O10S 859.376 NA PeJP NA NA +PJ056417 VMMFFW C44H57N7O7S2 859.3761 NA PeJP NA NA +PJ056418 GQHFWW C44H49N11O8 859.3766 NA PeJP NA NA +PJ056419 GSSSTEHR C32H53N13O15 859.3784 NA PeJP NA NA +PJ056420 SPDDDRR C32H53N13O15 859.3785 NA PeJP NA NA +PJ056421 AALEMYY C40H57N7O12S 859.3786 NA PeJP NA NA +PJ056422 PPCCERR C33H57N13O10S2 859.3793 NA PeJP NA NA +PJ056423 TCKHWW C41H53N11O8S 859.38 NA PeJP NA NA +PJ056424 PWWWW C49H49N9O6 859.3806 NA PeJP NA NA +PJ056425 TTTLMMY C37H61N7O12S2 859.382 NA PeJP NA NA +PJ056426 STTTQHW C37H53N11O13 859.3824 NA PeJP NA NA +PJ056427 GSPEERW C37H53N11O13 859.3825 NA PeJP NA NA +PJ056428 APPCMRW C38H57N11O8S2 859.3833 NA PeJP NA NA +PJ056429 APQEEMR C34H57N11O13S 859.3858 NA PeJP NA NA +PJ056430 GAAPEEMR C34H57N11O13S 859.3859 NA PeJP NA NA +PJ056431 PDKEWW C42H53N9O11 859.3865 NA PeJP NA NA +PJ056432 PPCNHHR C35H53N15O9S 859.3872 NA PeJP NA NA +PJ056433 PHHHFW C43H49N13O7 859.3878 NA PeJP NA NA +PJ056434 GNNDERR C31H53N15O14 859.3897 NA PeJP NA NA +PJ056435 QQKMYY C39H57N9O11S 859.3898 NA PeJP NA NA +PJ056436 GPLQEMW C39H57N9O11S 859.3899 NA PeJP NA NA +PJ056437 PTFFYW C47H53N7O9 859.3905 NA PeJP NA NA +PJ056438 GTCMHRR C32H57N15O9S2 859.3906 NA PeJP NA NA +PJ056439 LMHHHW C40H53N13O7S 859.3912 NA PeJP NA NA +PJ056440 SSSSTTKY C35H57N9O16 859.3923 NA PeJP NA NA +PJ056441 PTQKEEE C35H57N9O16 859.3924 NA PeJP NA NA +PJ056442 STCKKMY C36H61N9O11S2 859.3932 NA PeJP NA NA +PJ056443 SSSTHRW C36H53N13O12 859.3937 NA PeJP NA NA +PJ056444 VVMYYW C44H57N7O9S 859.3939 NA PeJP NA NA +PJ056445 CKMHRW C37H57N13O7S2 859.3946 NA PeJP NA NA +PJ056446 GVHHHHH C37H49N17O8 859.3951 NA PeJP NA NA +PJ056447 ATTLEYY C40H57N7O14 859.3964 NA PeJP NA NA +PJ056448 GPDEMRR C33H57N13O12S 859.3971 NA PeJP NA NA +PJ056449 ACLLMFY C41H61N7O9S2 859.3972 NA PeJP NA NA +PJ056450 GVLMMFY C41H61N7O9S2 859.3973 NA PeJP NA NA +PJ056451 SPERWW C41H53N11O10 859.3977 NA PeJP NA NA +PJ056452 PLLEEEM C37H61N7O14S 859.3998 NA PeJP NA NA +PJ056453 AAPEMRW C38H57N11O10S 859.4011 NA PeJP NA NA +PJ056454 SPVWWW C46H53N9O8 859.4017 NA PeJP NA NA +PJ056455 GAPPFWW C46H53N9O8 859.4018 NA PeJP NA NA +PJ056456 GLQEEER C34H57N11O15 859.4036 NA PeJP NA NA +PJ056457 PPTQMMR C35H61N11O10S2 859.4045 NA PeJP NA NA +PJ056458 NNDRRW C35H53N15O11 859.4049 NA PeJP NA NA +PJ056459 GGGGDRRW C35H53N15O11 859.405 NA PeJP NA NA +PJ056460 PLQMWW C43H57N9O8S 859.4051 NA PeJP NA NA +PJ056461 HHHHHR C36H49N19O7 859.4063 NA PeJP NA NA +PJ056462 APTKEEW C39H57N9O13 859.4076 NA PeJP NA NA +PJ056463 SSSMHRR C32H57N15O11S 859.4083 NA PeJP NA NA +PJ056464 APPKMMW C40H61N9O8S2 859.4085 NA PeJP NA NA +PJ056465 GQQRWW C40H53N13O9 859.409 NA PeJP NA NA +PJ056466 PVQKEEM C36H61N9O13S 859.411 NA PeJP NA NA +PJ056467 AAPLYYY C44H57N7O11 859.4116 NA PeJP NA NA +PJ056468 VVLMMMH C37H65N9O8S3 859.4119 NA PeJP NA NA +PJ056469 PDMRRW C37H57N13O9S 859.4123 NA PeJP NA NA +PJ056470 GKHFWW C45H53N11O7 859.413 NA PeJP NA NA +PJ056471 AAEEERR C33H57N13O14 859.4148 NA PeJP NA NA +PJ056472 GGGGAKEER C33H57N13O14 859.4149 NA PeJP NA NA +PJ056473 GTLLMYY C41H61N7O11S 859.415 NA PeJP NA NA +PJ056474 PPTCMRR C34H61N13O9S2 859.4157 NA PeJP NA NA +PJ056475 PCLRWW C42H57N11O7S 859.4164 NA PeJP NA NA +PJ056476 VLLEEEE C37H61N7O16 859.4175 NA PeJP NA NA +PJ056477 APTTERW C38H57N11O12 859.4188 NA PeJP NA NA +PJ056478 LQEERW C38H57N11O12 859.4189 NA PeJP NA NA +PJ056479 KKMMHW C39H61N11O7S2 859.4197 NA PeJP NA NA +MJ096382 Akitamycin C41H65NO18 859.420164 NA MeJP NA NA +PJ056480 PQHHRW C39H53N15O8 859.4202 NA PeJP NA NA +PJ056481 APKEEMR C35H61N11O12S 859.4222 NA PeJP NA NA +PJ056482 GGGGGGAALLM C35H61N11O12S 859.4223 NA PeJP NA NA +PJ056483 VLQEWW C43H57N9O10 859.4229 NA PeJP NA NA +PJ056484 NMHFRR C36H57N15O8S 859.4236 NA PeJP NA NA +PJ056485 DEERRR C32H57N15O13 859.4261 NA PeJP NA NA +PJ056486 APVKEMW C40H61N9O10S 859.4262 NA PeJP NA NA +PJ056487 GPLKEMW C40H61N9O10S 859.4263 NA PeJP NA NA +PJ056488 VVFFYW C48H57N7O8 859.4269 NA PeJP NA NA +PJ056489 VVQKEEE C36H61N9O15 859.4287 NA PeJP NA NA +PJ056490 PTKKEEE C36H61N9O15 859.4288 NA PeJP NA NA +PJ056491 PPKKEMM C37H65N9O10S2 859.4296 NA PeJP NA NA +PJ056492 VDERRW C37H57N13O11 859.4301 NA PeJP NA NA +PJ056493 GVLMFFF C45H61N7O8S 859.4303 NA PeJP NA NA +PJ056494 STTLLYY C41H61N7O13 859.4328 NA PeJP NA NA +PJ056495 STTKMHR C34H61N13O11S 859.4334 NA PeJP NA NA +PJ056496 APTEMRR C34H61N13O11S 859.4335 NA PeJP NA NA +PJ056497 ALERWW C42H57N11O9 859.4341 NA PeJP NA NA +PJ056498 GSNDRRR C31H57N17O12 859.4373 NA PeJP NA NA +PJ056499 GPTLMRW C39H61N11O9S 859.4375 NA PeJP NA NA +PJ056500 GLLWWW C47H57N9O7 859.4381 NA PeJP NA NA +PJ056501 GLKEEER C35H61N11O14 859.44 NA PeJP NA NA +PJ056502 PPTKMMR C36H65N11O9S2 859.4408 NA PeJP NA NA +PJ056503 PVVQMMR C36H65N11O9S2 859.4409 NA PeJP NA NA +PJ056504 SQQRRW C36H57N15O10 859.4413 NA PeJP NA NA +PJ056505 PLKMWW C44H61N9O7S 859.4415 NA PeJP NA NA +PJ056506 GVLKEEW C40H61N9O12 859.444 NA PeJP NA NA +PJ056507 AAQQMRR C33H61N15O10S 859.4447 NA PeJP NA NA +PJ056508 GQKRWW C41H57N13O8 859.4453 NA PeJP NA NA +PJ056509 GGAKRWW C41H57N13O8 859.4454 NA PeJP NA NA +PJ056510 PVKKEEM C37H65N9O12S 859.4474 NA PeJP NA NA +PJ056511 AALLFYY C45H61N7O10 859.448 NA PeJP NA NA +PJ056512 GPPMFRR C38H61N13O8S 859.4487 NA PeJP NA NA +PJ056513 GTLEERR C34H61N13O13 859.4512 NA PeJP NA NA +PJ056514 GPLMMRR C35H65N13O8S2 859.4521 NA PeJP NA NA +PJ056515 GPTHHRR C35H57N17O9 859.4526 NA PeJP NA NA +PJ056516 LKEERW C39H61N11O11 859.4552 NA PeJP NA NA +PJ056517 GGGVKKEW C39H61N11O11 859.4553 NA PeJP NA NA +PJ056518 NQMRRR C32H61N17O9S 859.4559 NA PeJP NA NA +PJ056519 PKHHRW C40H57N15O7 859.4566 NA PeJP NA NA +PJ056520 SPLKEMR C36H65N11O11S 859.4586 NA PeJP NA NA +PJ056521 VLKEWW C44H61N9O9 859.4593 NA PeJP NA NA +PJ056522 ASNKERR C33H61N15O12 859.4624 NA PeJP NA NA +PJ056523 GSQKERR C33H61N15O12 859.4625 NA PeJP NA NA +PJ056524 SPVLKMW C41H65N9O9S 859.4626 NA PeJP NA NA +PJ056525 VVKKEEE C37H65N9O14 859.4651 NA PeJP NA NA +PJ056526 PLLQKMM C38H69N9O9S2 859.466 NA PeJP NA NA +PJ056527 TLERRW C38H61N13O10 859.4665 NA PeJP NA NA +7666 ACE inhibitor from b-CN (191-197) LLYQQPV 859.467 antioxidative Inhouse_peptide NA peptide +PJ056528 CNRRRR C31H61N19O8S 859.4672 NA PeJP NA NA +PJ056529 PLLLEEF C42H65N7O12 859.4692 NA PeJP NA NA +PJ056530 AVVEMRR C35H65N13O10S 859.4698 NA PeJP NA NA +PJ056531 GVLEMRR C35H65N13O10S 859.4699 NA PeJP NA NA +PJ056532 SLLRWW C43H61N11O8 859.4705 NA PeJP NA NA +PJ056533 LLLLEEM C39H69N7O12S 859.4725 NA PeJP NA NA +PJ056534 GSTQRRR C32H61N17O11 859.4737 NA PeJP NA NA +PJ056535 AALLMRW C40H65N11O8S 859.4739 NA PeJP NA NA +PJ056536 SVLKEER C36H65N11O13 859.4764 NA PeJP NA NA +PJ056537 PVVKMMR C37H69N11O8S2 859.4772 NA PeJP NA NA +PJ056538 SQKRRW C37H61N15O9 859.4777 NA PeJP NA NA +PJ056539 ATLLKEW C41H65N9O11 859.4804 NA PeJP NA NA +PJ056540 LEMRRR C34H65N15O9S 859.4811 NA PeJP NA NA +PJ056541 GKKRWW C42H61N13O7 859.4817 NA PeJP NA NA +PJ056542 VLLQKEM C38H69N9O11S 859.4838 NA PeJP NA NA +PJ056543 VLMRRW C39H65N13O7S 859.4851 NA PeJP NA NA +PJ056544 SSLLERR C35H65N13O12 859.4876 NA PeJP NA NA +PJ056545 AALHHRR C36H61N17O8 859.4889 NA PeJP NA NA +PJ056546 GVVHHRR C36H61N17O8 859.489 NA PeJP NA NA +PJ056547 ATTLLRW C40H65N11O10 859.4916 NA PeJP NA NA +PJ056548 NKMRRR C33H65N17O8S 859.4923 NA PeJP NA NA +PJ056549 ALLKEMR C37H69N11O10S 859.495 NA PeJP NA NA +PJ056550 KKKFFY C45H65N9O8 859.4956 NA PeJP NA NA +PJ056551 GPLLKFW C45H65N9O8 859.4957 NA PeJP NA NA +PJ056552 GSKKERR C34H65N15O11 859.4988 NA PeJP NA NA +PJ056553 GLLLKMW C42H69N9O8S 859.499 NA PeJP NA NA +PJ056554 VHHRRR C35H61N19O7 859.5002 NA PeJP NA NA +PJ056555 TLLKKEE C38H69N9O13 859.5015 NA PeJP NA NA +PJ056556 PLLKKMM C39H73N9O8S2 859.5024 NA PeJP NA NA +PJ056557 DKKKRW C39H65N13O9 859.5029 NA PeJP NA NA +PJ056558 PLLLLEY C43H69N7O11 859.5055 NA PeJP NA NA +PJ056559 ATLLMRR C36H69N13O9S 859.5062 NA PeJP NA NA +PJ056560 GSTKRRR C33H65N17O10 859.5101 NA PeJP NA NA +PJ056561 TTLLKER C37H69N11O12 859.5127 NA PeJP NA NA +PJ056562 GSTTLLLR C37H69N11O12 859.5128 NA PeJP NA NA +PJ056563 SKKRRW C38H65N15O8 859.5141 NA PeJP NA NA +PJ056564 STLLLKW C42H69N9O10 859.5168 NA PeJP NA NA +PJ056565 AAKKMRR C35H69N15O8S 859.5175 NA PeJP NA NA +PJ056566 VLLKKEM C39H73N9O10S 859.5201 NA PeJP NA NA +PJ056567 LLLDKKM C39H73N9O10S 859.5202 NA PeJP NA NA +PJ056568 TTTLLRR C36H69N13O11 859.524 NA PeJP NA NA +PJ056569 GTLKKKW C41H69N11O9 859.528 NA PeJP NA NA +PJ056570 SLLLKMR C38H73N11O9S 859.5314 NA PeJP NA NA +PJ056571 ATTKKRR C35H69N15O10 859.5352 NA PeJP NA NA +PJ056572 SSSLLLLK C39H73N9O12 859.5379 NA PeJP NA NA +PJ056573 VVLKKHH C40H69N13O8 859.5392 NA PeJP NA NA +PJ056574 GVLLFRR C40H69N13O8 859.5393 NA PeJP NA NA +PJ056575 LLLLLEF C44H73N7O10 859.5419 NA PeJP NA NA +PJ056576 GLKKKMR C37H73N13O8S 859.5426 NA PeJP NA NA +PJ056577 SLKKKKE C38H73N11O11 859.5491 NA PeJP NA NA +PJ056578 LLFRRR C39H69N15O7 859.5505 NA PeJP NA NA +PJ056579 PVLLKKY C43H73N9O9 859.5532 NA PeJP NA NA +PJ056580 STLKKKR C37H73N13O10 859.5604 NA PeJP NA NA +PJ056581 ALLLKFR C42H73N11O8 859.5644 NA PeJP NA NA +PJ056582 VVKKKKM C39H77N11O8S 859.5678 NA PeJP NA NA +PJ056583 LLLLLLY C45H77N7O9 859.5783 NA PeJP NA NA +PJ056584 VLLLKKF C44H77N9O8 859.5896 NA PeJP NA NA +HMDB04867 Lactosylceramide (d18:1/9Z-18:1) C46H85NO13 859.60211 http://www.hmdb.ca/metabolites/HMDB04867 HMDB NA NA +HMDB04867 Lactosylceramide (d18:1/9Z-18:1) C46H85NO13 859.60211 HMDB04867 PFEM_hmdb_metabocards_official NA NA +HMDB08321 PC(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C50H86NO8P 859.609131 NA HMDB2010 NA NA +HMDB08352 PC(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C50H86NO8P 859.609131 NA HMDB2010 NA NA +HMDB08353 PC(20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C50H86NO8P 859.609131 NA HMDB2010 NA NA +HMDB08384 PC(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)) C50H86NO8P 859.609131 NA HMDB2010 NA NA +HMDB08416 PC(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) C50H86NO8P 859.609131 NA HMDB2010 NA NA +HMDB08514 PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)) C50H86NO8P 859.609131 NA HMDB2010 NA NA +HMDB08609 PC(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C50H86NO8P 859.609131 NA HMDB2010 NA NA +HMDB08638 PC(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)) C50H86NO8P 859.609131 NA HMDB2010 NA NA +HMDB08639 PC(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)) C50H86NO8P 859.609131 NA HMDB2010 NA NA +HMDB08670 PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z)) C50H86NO8P 859.609131 NA HMDB2010 NA NA +HMDB08703 PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) C50H86NO8P 859.609131 NA HMDB2010 NA NA +HMDB08735 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) C50H86NO8P 859.609131 NA HMDB2010 NA NA +EUR987 PC 38:2 [M+FA-H]- C46H88NO8P 859.629637 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR987 PC 38:2 [M+FA-H]- C46H88NO8P 859.629637 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR987 PC 38:2 [M+FA-H]- C46H88NO8P 859.629637 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR987 PC 38:2 [M+FA-H]- C46H88NO8P 859.629637 masses lipides attendues Inhousejuil11 NA NA +EUR1135 SM(d18:1/26:3) [M+Na]+ C49H94N2O6P 859.666897 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1135 SM(d18:1/26:3) [M+Na]+ C49H94N2O6P 859.666897 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1135 SM(d18:1/26:3) [M+Na]+ C49H94N2O6P 859.666897 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1135 SM(d18:1/26:3) [M+Na]+ C49H94N2O6P 859.666897 masses lipides attendues Inhousejuil11 NA NA +EUR1122 SM(d18:1/24:1) [M+FA-H]- C47H94N2O6P 859.689831 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1122 SM(d18:1/24:1) [M+FA-H]- C47H94N2O6P 859.689831 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1122 SM(d18:1/24:1) [M+FA-H]- C47H94N2O6P 859.689831 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1122 SM(d18:1/24:1) [M+FA-H]- C47H94N2O6P 859.689831 masses lipides attendues Inhousejuil11 NA NA +HMDB09244 PE(20:0/24:0) C49H98NO8P 859.703003 NA HMDB2010 NA NA +HMDB09501 PE(22:0/22:0) C49H98NO8P 859.703003 NA HMDB2010 NA NA +HMDB09724 PE(24:0/20:0) C49H98NO8P 859.703003 NA HMDB2010 NA NA +MJ096383 2-Amino-16-methyl-1,3,4-octadecanetriol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-galactopyranoside C49H97NO10 859.711248 NA MeJP NA NA +HMDB13423 PC(o-18:0/24:0) C50H102NO7P 859.73938 NA HMDB2010 NA NA +HMDB13443 PC(o-20:0/22:0) C50H102NO7P 859.73938 NA HMDB2010 NA NA +PJ056585 SCCCCCCH C27H44N10O10S6 860.1567 NA PeJP NA NA +PJ056586 PCCCCCDD C28H44N8O13S5 860.1632 NA PeJP NA NA +PJ056587 GCCCDDDM C28H44N8O15S4 860.1809 NA PeJP NA NA +PJ056588 SCCCCNND C27H44N10O14S4 860.1922 NA PeJP NA NA +PJ056589 CCCCDEW C32H44N8O12S4 860.1962 NA PeJP NA NA +PJ056590 SSCCCDDE C28H44N8O17S3 860.1987 NA PeJP NA NA +PJ056591 SPCCCCDM C29H48N8O12S5 860.1996 NA PeJP NA NA +PJ056592 GCCCCNQM C28H48N10O11S5 860.2108 NA PeJP NA NA +PJ056593 GSCCDDMM C29H48N8O14S4 860.2173 NA PeJP NA NA +PJ056594 APCCCCMM C30H52N8O9S6 860.2182 NA PeJP NA NA +PJ056595 GCCCCCNR C27H48N12O10S5 860.222 NA PeJP NA NA +PJ056596 SSCCCNNM C28H48N10O13S4 860.2285 NA PeJP NA NA +PJ056597 GGSSCCCNM C28H48N10O13S4 860.2286 NA PeJP NA NA +PJ056598 CCNDDEY C32H44N8O16S2 860.2317 NA PeJP NA NA +PJ056599 SCCCEMW C33H48N8O11S4 860.2326 NA PeJP NA NA +PJ056600 SSSCCDEM C29H48N8O16S3 860.2351 NA PeJP NA NA +PJ056601 CCNEMMM C30H52N8O11S5 860.2359 NA PeJP NA NA +PJ056602 GGCCEMMM C30H52N8O11S5 860.236 NA PeJP NA NA +PJ056603 GSCCCDHH C30H44N12O12S3 860.2364 NA PeJP NA NA +MJ096384 Astragalin; 7-O-[6-O-Benzoyl-?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C40H44O21 860.237508 NA MeJP NA NA +PJ056604 GPCCDDDH C31H44N10O15S2 860.243 NA PeJP NA NA +PJ056605 GSSSSCCCQ C28H48N10O15S3 860.2463 NA PeJP NA NA +PJ056606 GCCDDYW C36H44N8O13S2 860.247 NA PeJP NA NA +PJ056607 CCCDMMR C29H52N10O10S5 860.2472 NA PeJP NA NA +PJ056608 PCCCCFW C37H48N8O8S4 860.2478 NA PeJP NA NA +PJ056609 GSSCDDDY C32H44N8O18S 860.2495 NA PeJP NA NA +PJ056610 GSPCCCEY C33H48N8O13S3 860.2503 NA PeJP NA NA +PJ056611 GCCMMMW C34H52N8O8S5 860.2512 NA PeJP NA NA +PJ056612 GSSCDMMM C30H52N8O13S4 860.2537 NA PeJP NA NA +PJ056613 CCCQMHH C31H48N12O9S4 860.255 NA PeJP NA NA +PJ056614 GACCCMHH C31H48N12O9S4 860.2551 NA PeJP NA NA +PJ056615 NDDDDMH C31H44N10O17S 860.2607 NA PeJP NA NA +PJ056616 CCNNNMY C32H48N10O12S3 860.2616 NA PeJP NA NA +PJ056617 SSSSSSCCN C28H48N10O17S2 860.264 NA PeJP NA NA +PJ056618 GGSSSSSSCC C28H48N10O17S2 860.2641 NA PeJP NA NA +PJ056619 SSCCCCQK C29H52N10O12S4 860.2649 NA PeJP NA NA +PJ056620 SPCCCYW C37H48N8O10S3 860.2656 NA PeJP NA NA +PJ056621 CCCCHHR C30H48N14O8S4 860.2663 NA PeJP NA NA +PJ056622 SCNDEMY C33H48N8O15S2 860.2681 NA PeJP NA NA +PJ056623 STCCMMW C34H52N8O10S4 860.2689 NA PeJP NA NA +PJ056624 GGPCCMMY C34H52N8O10S4 860.269 NA PeJP NA NA +PJ056625 SSSSCEMM C30H52N8O15S3 860.2715 NA PeJP NA NA +PJ056626 GSCNNDDH C30H44N12O16S 860.2719 NA PeJP NA NA +PJ056627 GGGGGSCDDH C30H44N12O16S 860.272 NA PeJP NA NA +PJ056628 SCQMMMM C31H56N8O10S5 860.2723 NA PeJP NA NA +PJ056629 GSSCCMHH C31H48N12O11S3 860.2728 NA PeJP NA NA +MJ096385 Catalpol; 6-O-[2,3-Bis(4-hydroxy-3-methoxy-E-cinnamoyl)-?-L-rhamnopyranoside] C41H48O20 860.273893 NA MeJP NA NA +PJ056630 GCDDEHW C35H44N10O14S 860.276 NA PeJP NA NA +PJ056631 GSSDDDEH C31H44N10O19 860.2785 NA PeJP NA NA +PJ056632 SCCDDRY C32H48N10O14S2 860.2793 NA PeJP NA NA +PJ056633 APPCCCMH C33H52N10O9S4 860.2802 NA PeJP NA NA +PJ056634 GNDDDYY C36H44N8O17 860.2825 NA PeJP NA NA +PJ056635 GSSSSCCCK C29H52N10O14S3 860.2827 NA PeJP NA NA +PJ056636 GSCDMYW C37H48N8O12S2 860.2833 NA PeJP NA NA +PJ056637 GGPCCDFY C37H48N8O12S2 860.2834 NA PeJP NA NA +PJ056638 SCCMMMR C30H56N10O9S5 860.2836 NA PeJP NA NA +PJ056639 GSSSDDMY C33H48N8O17S 860.2858 NA PeJP NA NA +PJ056640 GPPDDDDM C33H48N8O17S 860.2859 NA PeJP NA NA +PJ056641 GNDMMMY C34H52N8O12S3 860.2867 NA PeJP NA NA +PJ056642 CCFYYY C42H48N6O10S2 860.2874 NA PeJP NA NA +PJ056643 GSSSMMMM C31H56N8O12S4 860.2901 NA PeJP NA NA +PJ056644 SSSTCCHH C31H48N12O13S2 860.2906 NA PeJP NA NA +PJ056645 CDDHWW C39H44N10O11S 860.2912 NA PeJP NA NA +PJ056646 CCCKMHH C32H52N12O8S4 860.2914 NA PeJP NA NA +PJ056647 SSDDDHW C35H44N10O16 860.2937 NA PeJP NA NA +PJ056648 SPCCEHW C36H48N10O11S2 860.2946 NA PeJP NA NA +PJ056649 SSSSCNNY C32H48N10O16S 860.2971 NA PeJP NA NA +PJ056650 ACCDMRY C33H52N10O11S3 860.2979 NA PeJP NA NA +PJ056651 GCCEMRY C33H52N10O11S3 860.298 NA PeJP NA NA +PJ056652 TCCYWW C41H48N8O9S2 860.2986 NA PeJP NA NA +PJ056653 SSSCEYW C37H48N8O14S 860.3011 NA PeJP NA NA +PJ056654 SSCCCCKK C30H56N10O11S4 860.3013 NA PeJP NA NA +PJ056655 CCNNDHR C30H48N14O12S2 860.3018 NA PeJP NA NA +PJ056656 CQMMYW C38H52N8O9S3 860.302 NA PeJP NA NA +PJ056657 SSSSSDEY C33H48N8O19 860.3036 NA PeJP NA NA +PJ056658 SSNEMMY C34H52N8O14S2 860.3045 NA PeJP NA NA +PJ056659 SCYYYY C42H48N6O12S 860.3051 NA PeJP NA NA +PJ056660 GNMMMMF C35H56N8O9S4 860.3053 NA PeJP NA NA +PJ056661 GGGMMMMF C35H56N8O9S4 860.3054 NA PeJP NA NA +PJ056662 GCNNMHW C35H48N12O10S2 860.3058 NA PeJP NA NA +PJ056663 EEEEYY C38H48N6O17 860.3076 NA PeJP NA NA +PJ056664 SSSSTMMM C31H56N8O14S3 860.3078 NA PeJP NA NA +PJ056665 SCDDEHR C31H48N12O15S 860.3083 NA PeJP NA NA +PJ056666 GGGGGGGGGPCE C31H48N12O15S 860.3084 NA PeJP NA NA +PJ056667 SCKMMMM C32H60N8O9S5 860.3087 NA PeJP NA NA +PJ056668 PCCDMHR C32H52N12O10S3 860.3092 NA PeJP NA NA +PJ056669 GSDEMHW C36H48N10O13S 860.3123 NA PeJP NA NA +PJ056670 GGGGGGACYY C36H48N10O13S 860.3124 NA PeJP NA NA +PJ056671 CCMRYW C37H52N10O8S3 860.3132 NA PeJP NA NA +PJ056672 PDDDDER C32H48N10O18 860.3148 NA PeJP NA NA +PJ056673 GGGSPNDEE C32H48N10O18 860.3149 NA PeJP NA NA +PJ056674 SSCDMRY C33H52N10O13S2 860.3157 NA PeJP NA NA +PJ056675 SNDDHHH C33H44N14O14 860.3162 NA PeJP NA NA +PJ056676 CNEFYW C41H48N8O11S 860.3164 NA PeJP NA NA +PJ056677 ACCMMFR C34H56N10O8S4 860.3166 NA PeJP NA NA +PJ056678 PCCQHHH C34H48N14O9S2 860.3171 NA PeJP NA NA +PJ056679 GPDEEEW C37H48N8O16 860.3189 NA PeJP NA NA +PJ056680 GSSMMYW C38H52N8O11S2 860.3197 NA PeJP NA NA +PJ056681 GSSSTEMY C34H52N8O16S 860.3222 NA PeJP NA NA +PJ056682 GTQMMMY C35H56N8O11S3 860.3231 NA PeJP NA NA +PJ056683 SSCNQHW C35H48N12O12S 860.3236 NA PeJP NA NA +PJ056684 SSSSNNEH C31H48N12O17 860.3261 NA PeJP NA NA +PJ056685 GCEEMHR C32H52N12O12S2 860.3269 NA PeJP NA NA +PJ056686 GDDMMHR C32H52N12O12S2 860.327 NA PeJP NA NA +PJ056687 SDMHWW C40H48N10O10S 860.3276 NA PeJP NA NA +PJ056688 SSSEEHW C36H48N10O15 860.3301 NA PeJP NA NA +PJ056689 QEMMHW C37H52N10O10S2 860.331 NA PeJP NA NA +PJ056690 GCFYWW C45H48N8O8S 860.3316 NA PeJP NA NA +PJ056691 STQEEMH C33H52N10O15S 860.3335 NA PeJP NA NA +PJ056692 PDEEWW C41H48N8O13 860.3341 NA PeJP NA NA +PJ056693 GTCMMRY C34H56N10O10S3 860.3343 NA PeJP NA NA +PJ056694 GGPPPCCCK C34H56N10O10S3 860.3344 NA PeJP NA NA +PJ056695 GNEMHHH C34H48N14O11S 860.3348 NA PeJP NA NA +PJ056696 CQMFFW C42H52N8O8S2 860.335 NA PeJP NA NA +PJ056697 NNNNDDR C30H48N14O16 860.3373 NA PeJP NA NA +PJ056698 GGGGGGGGGGGGAS C30H48N14O16 860.3374 NA PeJP NA NA +PJ056699 SSSTMYW C38H52N8O13S 860.3375 NA PeJP NA NA +PJ056700 SCNNMHR C31H52N14O11S2 860.3382 NA PeJP NA NA +PJ056701 CKMMYW C39H56N8O8S3 860.3384 NA PeJP NA NA +PJ056702 GCNHHFF C39H48N12O9S 860.3388 NA PeJP NA NA +PJ056703 SSSSTTEY C34H52N8O18 860.34 NA PeJP NA NA +PJ056704 STTQMMY C35H56N8O13S2 860.3408 NA PeJP NA NA +PJ056705 SSDKMMY C35H56N8O13S2 860.3409 NA PeJP NA NA +PJ056706 GSSSSNHW C35H48N12O14 860.3413 NA PeJP NA NA +PJ056707 GGGGGGGQEW C35H48N12O14 860.3414 NA PeJP NA NA +PJ056708 ACKMMMF C36H60N8O8S4 860.3417 NA PeJP NA NA +PJ056709 CEMHRW C36H52N12O9S2 860.3422 NA PeJP NA NA +PJ056710 SSDEMHR C32H52N12O14S 860.3447 NA PeJP NA NA +MJ096386 Pacidamycin 6 C40H48N10O12 860.345317 NA MeJP NA NA +PJ056711 GSPNDWW C40H48N10O12 860.3454 NA PeJP NA NA +PJ056712 SPCMMHR C33H56N12O9S3 860.3456 NA PeJP NA NA +PJ056713 GCDHHHR C33H48N16O10S 860.346 NA PeJP NA NA +PJ056714 AMMHWW C41H52N10O7S2 860.3462 NA PeJP NA NA +PJ056715 GTTEMHW C37H52N10O12S 860.3487 NA PeJP NA NA +PJ056716 GSYYWW C45H48N8O10 860.3494 NA PeJP NA NA +PJ056717 NMHHHW C38H48N14O8S 860.3501 NA PeJP NA NA +PJ056718 SPDEEER C33H52N10O17 860.3512 NA PeJP NA NA +PJ056719 GGGGGGLEEE C33H52N10O17 860.3513 NA PeJP NA NA +PJ056720 SSSMMRY C34H56N10O12S2 860.3521 NA PeJP NA NA +PJ056721 SSQEHHH C34H48N14O13 860.3526 NA PeJP NA NA +PJ056722 AQMYYW C42H52N8O10S 860.3527 NA PeJP NA NA +PJ056723 GGAPCFFY C42H52N8O10S 860.3528 NA PeJP NA NA +PJ056724 PCCKHHH C35H52N14O8S2 860.3534 NA PeJP NA NA +PJ056725 APTEEEW C38H52N8O15 860.3552 NA PeJP NA NA +PJ056726 PVTDDEW C38H52N8O15 860.3553 NA PeJP NA NA +MJ096387 Naphthomycin I; Me ester C46H56N2O12S 860.355395 NA MeJP NA NA +PJ056727 GSSSCQHR C31H52N14O13S 860.3559 NA PeJP NA NA +PJ056728 GGGGGSPCNR C31H52N14O13S 860.356 NA PeJP NA NA +PJ056729 APPEMMW C39H56N8O10S2 860.3561 NA PeJP NA NA +PJ056730 NNNQWW C39H48N12O11 860.3566 NA PeJP NA NA +PJ056731 SSSSSLMY C35H56N8O15S 860.3586 NA PeJP NA NA +PJ056732 GTKMMMY C36H60N8O10S3 860.3595 NA PeJP NA NA +PJ056733 GPCNERW C36H52N12O11S 860.36 NA PeJP NA NA +PJ056734 GEHFWW C44H48N10O9 860.3606 NA PeJP NA NA +PJ056735 SSSSTQQH C32H52N12O16 860.3624 NA PeJP NA NA +PJ056736 GNQEEER C32H52N12O16 860.3625 NA PeJP NA NA +PJ056737 GTEMMHR C33H56N12O11S2 860.3633 NA PeJP NA NA +PJ056738 TTMHWW C41H52N10O9S 860.364 NA PeJP NA NA +PJ056739 STTTEHW C37H52N10O14 860.3665 NA PeJP NA NA +PJ056740 ATCLMHW C38H56N10O9S2 860.3673 NA PeJP NA NA +PJ056741 KEMMHW C38H56N10O9S2 860.3674 NA PeJP NA NA +PJ056742 GSTHHHW C38H48N14O10 860.3678 NA PeJP NA NA +PJ056743 SSPTTTMH C34H56N10O14S 860.3698 NA PeJP NA NA +PJ056744 APEEEMR C34H56N10O14S 860.3699 NA PeJP NA NA +PJ056745 SDKYYW C42H52N8O12 860.3705 NA PeJP NA NA +PJ056746 SPKMMMH C35H60N10O9S3 860.3707 NA PeJP NA NA +PJ056747 GCNQHFR C35H52N14O10S 860.3712 NA PeJP NA NA +PJ056748 CKMFFW C43H56N8O7S2 860.3714 NA PeJP NA NA +PJ056749 GNDDERR C31H52N14O15 860.3737 NA PeJP NA NA +PJ056750 GPLEEMW C39H56N8O12S 860.3739 NA PeJP NA NA +PJ056751 SCCQKHR C32H56N14O10S2 860.3746 NA PeJP NA NA +PJ056752 PCNRWW C40H52N12O8S 860.3752 NA PeJP NA NA +PJ056753 HFWWW C48H48N10O6 860.3759 NA PeJP NA NA +PJ056754 SSTTTTTY C35H56N8O17 860.3764 NA PeJP NA NA +PJ056755 STTKMMY C36H60N8O12S2 860.3772 NA PeJP NA NA +PJ056756 GSPPLEMM C36H60N8O12S2 860.3773 NA PeJP NA NA +PJ056757 NQEERW C36H52N12O13 860.3777 NA PeJP NA NA +PJ056758 GGGGGGGGAAPF C36H52N12O13 860.3778 NA PeJP NA NA +PJ056759 TMMHRW C37H56N12O8S2 860.3786 NA PeJP NA NA +PJ056760 STTEMHR C33H56N12O13S 860.3811 NA PeJP NA NA +PJ056761 VNQEWW C41H52N10O11 860.3817 NA PeJP NA NA +PJ056762 GGGGLEWW C41H52N10O11 860.3818 NA PeJP NA NA +PJ056763 GVMMMHR C34H60N12O8S3 860.382 NA PeJP NA NA +PJ056764 GSMHHHR C34H52N16O9S 860.3824 NA PeJP NA NA +PJ056765 HHHHFF C42H48N14O7 860.3831 NA PeJP NA NA +PJ056766 SSTLMHW C38H56N10O11S 860.3851 NA PeJP NA NA +PJ056767 PPEFWW C46H52N8O9 860.3858 NA PeJP NA NA +MJ096388 Holothurigenol; 3-O-[6-Deoxy-?-D-glucopyranosyl-(1?2)-?-D-xylopyranoside], 4'-O-sulfate C41H64O17S 860.386421 NA MeJP NA NA +PJ056768 GLEEEER C34H56N10O16 860.3876 NA PeJP NA NA +PJ056769 PPTEMMR C35H60N10O11S2 860.3885 NA PeJP NA NA +PJ056770 GSNNQRW C35H52N14O12 860.3889 NA PeJP NA NA +PJ056771 NDDRRW C35H52N14O12 860.389 NA PeJP NA NA +PJ056772 PLEMWW C43H56N8O9S 860.3891 NA PeJP NA NA +PJ056773 GVLEEEW C39H56N8O14 860.3916 NA PeJP NA NA +PJ056774 SPCNERR C32H56N14O12S 860.3923 NA PeJP NA NA +PJ056775 GGGGGGGGVMR C32H56N14O12S 860.3924 NA PeJP NA NA +PJ056776 SPPLMMW C40H60N8O9S2 860.3925 NA PeJP NA NA +PJ056777 GQERWW C40H52N12O10 860.393 NA PeJP NA NA +PJ056778 MMMHRR C33H60N14O7S3 860.3932 NA PeJP NA NA +PJ056779 PVKEEEM C36H60N8O14S 860.395 NA PeJP NA NA +PJ056780 AAPPLMMM C37H64N8O9S3 860.3959 NA PeJP NA NA +PJ056781 GSPQMRW C37H56N12O10S 860.3963 NA PeJP NA NA +PJ056782 GGGPTMRW C37H56N12O10S 860.3964 NA PeJP NA NA +PJ056783 GVQWWW C45H52N10O8 860.397 NA PeJP NA NA +PJ056784 ATQQEER C33H56N12O15 860.3988 NA PeJP NA NA +PJ056785 GNKEEER C33H56N12O15 860.3989 NA PeJP NA NA +PJ056786 SSLMMHR C34H60N12O10S2 860.3997 NA PeJP NA NA +PJ056787 SSTHHHR C34H52N16O11 860.4002 NA PeJP NA NA +PJ056788 PNKMWW C42H56N10O8S 860.4004 NA PeJP NA NA +PJ056789 LEEERW C38H56N10O13 860.4029 NA PeJP NA NA +PJ056790 ACNNQRR C31H56N16O11S 860.4035 NA PeJP NA NA +PJ056791 GNNNMRR C31H56N16O11S 860.4036 NA PeJP NA NA +PJ056792 PPCCKKW C39H60N10O8S2 860.4037 NA PeJP NA NA +MJ096389 1,3,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C41H64O19 860.404179 NA MeJP NA NA +MJ096390 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C41H64O19 860.404179 NA MeJP NA NA +MJ096391 3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-?-D-xylo-hexopyranoside] C41H64O19 860.404179 NA MeJP NA NA +MJ096392 3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-ribo-hexopyranoside] C41H64O19 860.404179 NA MeJP NA NA +PJ056793 PEHHRW C39H52N14O9 860.4042 NA PeJP NA NA +PJ056794 SPLEEMR C35H60N10O13S 860.4062 NA PeJP NA NA +PJ056795 GGPDKKEM C35H60N10O13S 860.4063 NA PeJP NA NA +PJ056796 VLEEWW C43H56N8O11 860.4069 NA PeJP NA NA +PJ056797 PPVMMMR C36H64N10O8S3 860.4071 NA PeJP NA NA +PJ056798 GSPCRRW C36H56N14O9S 860.4076 NA PeJP NA NA +PJ056799 QRWWW C44H52N12O7 860.4082 NA PeJP NA NA +PJ056800 GSQEERR C32H56N14O14 860.4101 NA PeJP NA NA +PJ056801 ASVKMYY C40H60N8O11S 860.4102 NA PeJP NA NA +PJ056802 SPVLEMW C40H60N8O11S 860.4103 NA PeJP NA NA +PJ056803 APCQMRR C33H60N14O9S2 860.4109 NA PeJP NA NA +PJ056804 GPNMMRR C33H60N14O9S2 860.411 NA PeJP NA NA +PJ056805 CLHFRW C41H56N12O7S 860.4116 NA PeJP NA NA +PJ056806 VVKEEEE C36H60N8O16 860.4128 NA PeJP NA NA +PJ056807 PLLQEMM C37H64N8O11S2 860.4136 NA PeJP NA NA +PJ056808 NKEERW C37H56N12O12 860.4141 NA PeJP NA NA +PJ056809 QHHHFR C38H52N16O8 860.4154 NA PeJP NA NA +PJ056810 GAHHHFR C38H52N16O8 860.4155 NA PeJP NA NA +PJ056811 SPNKEMR C34H60N12O12S 860.4175 NA PeJP NA NA +PJ056812 VNKEWW C42H56N10O10 860.4181 NA PeJP NA NA +PJ056813 GSDDRRR C31H56N16O13 860.4213 NA PeJP NA NA +PJ056814 GPDKKMW C39H60N10O10S 860.4215 NA PeJP NA NA +PJ056815 PPLYWW C47H56N8O8 860.4221 NA PeJP NA NA +PJ056816 APCCRRR C32H60N16O8S2 860.4222 NA PeJP NA NA +MJ096393 Oleanolic acid glycosyl esters; Diglycosides, 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester, 3-O-sulfate C42H68O16S 860.422806 NA MeJP NA NA +PJ056817 SVLEEER C35H60N10O15 860.424 NA PeJP NA NA +PJ056818 PVVEMMR C36H64N10O10S2 860.4249 NA PeJP NA NA +PJ056819 SQERRW C36H56N14O11 860.4253 NA PeJP NA NA +MJ096394 11-Hydroxytetradecanoic acid, O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C38H68O21 860.425309 NA MeJP NA NA +PJ056820 GGGGGSKRW C36H56N14O11 860.4254 NA PeJP NA NA +PJ056821 APPLMFW C44H60N8O8S 860.4255 NA PeJP NA NA +2836 oxitocin CYIQNCPLGG 860.4259 antibacterial Inhouse_peptide NA peptide +PJ056822 ATLLEEW C40H60N8O13 860.428 NA PeJP NA NA +PJ056823 AAQEMRR C33H60N14O11S 860.4287 NA PeJP NA NA +PJ056824 APLLMMW C41H64N8O8S2 860.4289 NA PeJP NA NA +PJ056825 GKERWW C41H56N12O9 860.4294 NA PeJP NA NA +PJ056826 VLLQEEM C37H64N8O13S 860.4314 NA PeJP NA NA +PJ056827 GSPKMRW C38H60N12O9S 860.4327 NA PeJP NA NA +PJ056828 GVKWWW C46H56N10O7 860.4334 NA PeJP NA NA +PJ056829 GDKKEER C34H60N12O14 860.4352 NA PeJP NA NA +PJ056830 GGGGGATKKE C34H60N12O14 860.4353 NA PeJP NA NA +PJ056831 APQKMMR C35H64N12O9S2 860.4361 NA PeJP NA NA +MJ096395 Aplasmomycin; 9,9'-Di-Ac C44H64BO16(-) 860.436566 NA MeJP NA NA +PJ056832 GVQQHHR C35H56N16O10 860.4366 NA PeJP NA NA +PJ056833 LKMHFW C43H60N10O7S 860.4368 NA PeJP NA NA +PJ056834 SSPKKEW C39H60N10O12 860.4392 NA PeJP NA NA +PJ056835 AAKKEEW C39H60N10O12 860.4393 NA PeJP NA NA +PJ056836 NEMRRR C32H60N16O10S 860.4399 NA PeJP NA NA +PJ056837 GGEMRRR C32H60N16O10S 860.44 NA PeJP NA NA +PJ056838 GTRRWW C40H56N14O8 860.4406 NA PeJP NA NA +PJ056839 ALLEEMR C36H64N10O12S 860.4426 NA PeJP NA NA +MJ096396 Pseudostellarin H C44H60N8O10 860.44324 NA MeJP NA NA +PJ056840 SPPVLYW C44H60N8O10 860.4433 NA PeJP NA NA +PJ056841 VNMRRW C37H60N14O8S 860.444 NA PeJP NA NA +PJ056842 KRWWW C45H56N12O6 860.4446 NA PeJP NA NA +PJ056843 GSKEERR C33H60N14O13 860.4465 NA PeJP NA NA +PJ056844 VVVVEMW C41H64N8O10S 860.4466 NA PeJP NA NA +MJ096397 Chandramycin C41H64N8O10S 860.44661 NA MeJP NA NA +PJ056845 GLLLEMW C41H64N8O10S 860.4467 NA PeJP NA NA +PJ056846 APCKMRR C34H64N14O8S2 860.4473 NA PeJP NA NA +PJ056847 QQHHRR C34H56N18O9 860.4478 NA PeJP NA NA +PJ056848 SPTTTLLE C37H64N8O15 860.4491 NA PeJP NA NA +PJ056849 TLLKEEE C37H64N8O15 860.4492 NA PeJP NA NA +PJ056850 PLLKEMM C38H68N8O10S2 860.45 NA PeJP NA NA +PJ056851 DKKERW C38H60N12O11 860.4505 NA PeJP NA NA +PJ056852 CDRRRR C31H60N18O9S 860.4512 NA PeJP NA NA +PJ056853 KHHHFR C39H56N16O7 860.4518 NA PeJP NA NA +PJ056854 SVLQQMR C35H64N12O11S 860.4538 NA PeJP NA NA +PJ056855 GLQKEMR C35H64N12O11S 860.4539 NA PeJP NA NA +PJ056856 VDKKWW C43H60N10O9 860.4545 NA PeJP NA NA +PJ056857 GMRRRW C36H60N16O7S 860.4552 NA PeJP NA NA +PJ056858 GSTERRR C32H60N16O12 860.4577 NA PeJP NA NA +PJ056859 APTKKMW C40H64N10O9S 860.4579 NA PeJP NA NA +PJ056860 PLLFWW C48H60N8O7 860.4585 NA PeJP NA NA +PJ056861 TTLLEER C36H64N10O14 860.4604 NA PeJP NA NA +PJ056862 PTLLMMR C37H68N10O9S2 860.4613 NA PeJP NA NA +PJ056863 SKERRW C37H60N14O10 860.4617 NA PeJP NA NA +PJ056864 LLLMWW C45H64N8O7S 860.4619 NA PeJP NA NA +MJ096398 N-Deacyltunicamycin; N4''-(14-Methylhexadecanoyl) C40H68N4O16 860.463032 NA MeJP NA NA +PJ056865 STLLLEW C41H64N8O12 860.4644 NA PeJP NA NA +PJ056866 AAKEMRR C34H64N14O10S 860.4651 NA PeJP NA NA +PJ056867 SVKRWW C42H60N12O8 860.4657 NA PeJP NA NA +PJ056868 GAPKFRW C42H60N12O8 860.4658 NA PeJP NA NA +PJ056869 VLLKEEM C38H68N8O12S 860.4678 NA PeJP NA NA +PJ056870 LQKMRW C39H64N12O8S 860.4691 NA PeJP NA NA +PJ056871 ATKKEER C35H64N12O13 860.4716 NA PeJP NA NA +PJ056872 APKKMMR C36H68N12O8S2 860.4725 NA PeJP NA NA +PJ056873 STRRRW C36H60N16O9 860.473 NA PeJP NA NA +PJ056874 GTLKKEW C40H64N10O11 860.4756 NA PeJP NA NA +PJ056875 GGGGPLLKY C40H64N10O11 860.4757 NA PeJP NA NA +PJ056876 DKMRRR C33H64N16O9S 860.4763 NA PeJP NA NA +MJ096399 1,3,16,24-Tetrahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid, 31-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester C43H72O17 860.47695 NA MeJP NA NA +MJ096400 1,3,20,24-Tetrahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid, 31-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester C43H72O17 860.47695 NA MeJP NA NA +MJ096401 Antibiotic T 2636B C43H72O17 860.47695 NA MeJP NA NA +PJ056877 LLHHRW C41H60N14O7 860.477 NA PeJP NA NA +PJ056878 SLLLEMR C37H68N10O11S 860.479 NA PeJP NA NA +MJ096402 Mozamide A C45H64N8O9 860.479625 NA MeJP NA NA +PJ056879 GPLLLYW C45H64N8O9 860.4797 NA PeJP NA NA +PJ056880 CLKRRW C38H64N14O7S 860.4804 NA PeJP NA NA +PJ056881 ATTKERR C34H64N14O12 860.4828 NA PeJP NA NA +PJ056882 GGTTTLRR C34H64N14O12 860.4829 NA PeJP NA NA +PJ056883 SVLLLMW C42H68N8O9S 860.483 NA PeJP NA NA +PJ056884 QKHHRR C35H60N18O8 860.4842 NA PeJP NA NA +PJ056885 SSSLLLLE C38H68N8O14 860.4855 NA PeJP NA NA +PJ056886 LLLLQMM C39H72N8O9S2 860.4864 NA PeJP NA NA +PJ056887 GTTLKRW C39H64N12O10 860.4869 NA PeJP NA NA +PJ056888 SMRRRR C32H64N18O8S 860.4876 NA PeJP NA NA +PJ056889 PTTKKMR C36H68N12O10S 860.4902 NA PeJP NA NA +PJ056890 GLKKEMR C36H68N12O10S 860.4903 NA PeJP NA NA +PJ056891 TLKKWW C44H64N10O8 860.4909 NA PeJP NA NA +PJ056892 SSSLRRR C33H64N16O11 860.4941 NA PeJP NA NA +PJ056893 GVLKKMW C41H68N10O8S 860.4943 NA PeJP NA NA +PJ056894 SLKKKEE C37H68N10O13 860.4968 NA PeJP NA NA +PJ056895 VVLLMMR C38H72N10O8S2 860.4976 NA PeJP NA NA +PJ056896 AAPKRRY C38H64N14O9 860.4981 NA PeJP NA NA +PJ056897 PVLLKEY C42H68N8O11 860.5008 NA PeJP NA NA +PJ056898 GTLKMRR C35H68N14O9S 860.5015 NA PeJP NA NA +PJ056899 PKKFRW C43H64N12O7 860.5021 NA PeJP NA NA +PJ056900 GTTLLLLM C39H72N8O11S 860.5042 NA PeJP NA NA +PJ056901 LKKMRW C40H68N12O7S 860.5055 NA PeJP NA NA +PJ056902 STLKKER C36H68N12O12 860.508 NA PeJP NA NA +PJ056903 VQFRRR C37H64N16O8 860.5093 NA PeJP NA NA +PJ056904 GGLFRRR C37H64N16O8 860.5094 NA PeJP NA NA +PJ056905 SSLLKKW C41H68N10O10 860.512 NA PeJP NA NA +PJ056906 VVKKKEM C38H72N10O10S 860.5154 NA PeJP NA NA +PJ056907 AVLLLFW C46H68N8O8 860.516 NA PeJP NA NA +PJ056908 GLLLLFW C46H68N8O8 860.5161 NA PeJP NA NA +PJ056909 STTLKRR C35H68N14O11 860.5192 NA PeJP NA NA +PJ056910 PLLLKMF C43H72N8O8S 860.5194 NA PeJP NA NA +PJ056911 AFRRRR C36H64N18O7 860.5206 NA PeJP NA NA +PJ056912 STTTLLLL C39H72N8O13 860.5219 NA PeJP NA NA +PJ056913 LLLLKMM C40H76N8O8S2 860.5228 NA PeJP NA NA +PJ056914 GSKKKKW C40H68N12O9 860.5233 NA PeJP NA NA +PJ056915 SVLKKMR C37H72N12O9S 860.5266 NA PeJP NA NA +MJ096403 Antibiotic C 076; Antibiotic C 076III C48H76O13 860.528592 NA MeJP NA NA +PJ056916 GTTTLLKK C38H72N10O12 860.5332 NA PeJP NA NA +PJ056917 AALKFRR C39H68N14O8 860.5345 NA PeJP NA NA +PJ056918 VLLLLQY C43H72N8O10 860.5372 NA PeJP NA NA +PJ056919 ACKKKKR C36H72N14O8S 860.5379 NA PeJP NA NA +HMDB09787 PI(16:0/20:3(5Z,8Z,11Z)) C45H81O13P 860.541504 NA HMDB2010 NA NA +HMDB09788 PI(16:0/20:3(8Z,11Z,14Z)) C45H81O13P 860.541504 NA HMDB2010 NA NA +HMDB09810 PI(18:0/18:3(6Z,9Z,12Z)) C45H81O13P 860.541504 NA HMDB2010 NA NA +HMDB09811 PI(18:0/18:3(9Z,12Z,15Z)) C45H81O13P 860.541504 NA HMDB2010 NA NA +HMDB09826 PI(18:1(11Z)/18:2(9Z,12Z)) C45H81O13P 860.541504 NA HMDB2010 NA NA +HMDB09838 PI(18:1(9Z)/18:2(9Z,12Z)) C45H81O13P 860.541504 NA HMDB2010 NA NA +HMDB09848 PI(18:2(9Z,12Z)/18:1(11Z)) C45H81O13P 860.541504 NA HMDB2010 NA NA +HMDB09849 PI(18:2(9Z,12Z)/18:1(9Z)) C45H81O13P 860.541504 NA HMDB2010 NA NA +HMDB09858 PI(18:3(6Z,9Z,12Z)/18:0) C45H81O13P 860.541504 NA HMDB2010 NA NA +HMDB09862 PI(18:3(9Z,12Z,15Z)/18:0) C45H81O13P 860.541504 NA HMDB2010 NA NA +HMDB09879 PI(20:3(5Z,8Z,11Z)/16:0) C45H81O13P 860.541504 NA HMDB2010 NA NA +HMDB09886 PI(20:3(8Z,11Z,14Z)/16:0) C45H81O13P 860.541504 NA HMDB2010 NA NA +MJ096404 Zeaxanthin; 9Z-Isomer, di-O-?-L-rhamnopyranoside C52H76O10 860.543848 NA MeJP NA NA +MJ096405 Zeaxanthin; Di-O-?-L-rhamnopyranoside C52H76O10 860.543848 NA MeJP NA NA +PJ056920 SDKKKKK C37H72N12O11 860.5444 NA PeJP NA NA +PJ056921 VKFRRR C38H68N16O7 860.5457 NA PeJP NA NA +PJ056922 ALLLLRY C42H72N10O9 860.5484 NA PeJP NA NA +PJ056923 TLLKKKM C39H76N10O9S 860.5518 NA PeJP NA NA +PJ056924 SSKKKKR C36H72N14O10 860.5556 NA PeJP NA NA +PJ056925 AVLKKFR C41H72N12O8 860.5596 NA PeJP NA NA +PJ056926 GLLKKFR C41H72N12O8 860.5597 NA PeJP NA NA +MJ096406 Megalomicin A; 12-Deoxy C44H80N2O14 860.560955 NA MeJP NA NA +PJ056927 AKKKKKM C38H76N12O8S 860.563 NA PeJP NA NA +PJ056928 VLLLLKY C44H76N8O9 860.5736 NA PeJP NA NA +PJ056929 TTKKKKK C38H76N12O10 860.5808 NA PeJP NA NA +PJ056930 VVLKKKF C43H76N10O8 860.5848 NA PeJP NA NA +3610 NA LKKLKKLKKKLLKL 860.628 MH2+ Inhouse_peptide NA peptide +HMDB05361 TG(16:0/16:0/20:1(11Z))[iso3] C55H104O6 860.78326 http://www.hmdb.ca/metabolites/HMDB05361 HMDB NA NA +HMDB05367 TG(16:0/18:0/18:1(9Z))[iso6] C55H104O6 860.78326 http://www.hmdb.ca/metabolites/HMDB05367 HMDB NA NA +HMDB05375 TG(16:0/16:1(9Z)/20:0)[iso6] C55H104O6 860.78326 http://www.hmdb.ca/metabolites/HMDB05375 HMDB NA NA +HMDB05421 TG(16:1(9Z)/18:0/18:0)[iso3] C55H104O6 860.78326 http://www.hmdb.ca/metabolites/HMDB05421 HMDB NA NA +HMDB05361 TG(16:0/16:0/20:1(11Z))[iso3] C55H104O6 860.78326 HMDB05361 PFEM_hmdb_metabocards_official NA NA +HMDB05367 TG(16:0/18:0/18:1(9Z))[iso6] C55H104O6 860.78326 HMDB05367 PFEM_hmdb_metabocards_official NA NA +HMDB05375 TG(16:0/16:1(9Z)/20:0)[iso6] C55H104O6 860.78326 HMDB05375 PFEM_hmdb_metabocards_official NA NA +HMDB05421 TG(16:1(9Z)/18:0/18:0)[iso3] C55H104O6 860.78326 HMDB05421 PFEM_hmdb_metabocards_official NA NA +HMDB05361 TG(16:0/16:0/20:1(11Z))[iso3] C55H104O6 860.783264 NA HMDB2010 NA NA +HMDB05367 TG(16:0/18:0/18:1(9Z))[iso6] C55H104O6 860.783264 NA HMDB2010 NA NA +HMDB05375 TG(16:0/16:1(9Z)/20:0)[iso6] C55H104O6 860.783264 NA HMDB2010 NA NA +HMDB05421 TG(16:1(9Z)/18:0/18:0)[iso3] C55H104O6 860.783264 NA HMDB2010 NA NA +HMDB10431 TG(18:0/16:0/18:1(11Z))[iso6] C55H104O6 860.783264 NA HMDB2010 NA NA +MJ096407 Glycerol trialkanoates (triacid); Glycerol 1-(9Z-octadecenoate) 2-hexadecanoate 3-octadecanoate C55H104O6 860.783291 NA MeJP NA NA +MJ096408 Glycerol trialkanoates (triacid); Glycerol 1-octadecanoate 2-(9Z-octadecenoate) 3-hexadecanoate C55H104O6 860.783291 NA MeJP NA NA +MJ096409 20(29)-Lupen-3-ol, Triacontanoyl C60H108O2 860.834932 NA MeJP NA NA +7419 coeliac toxic peptide PQQPFPQPQQPFRQ 860.9225 MH2+ Inhouse_peptide NA peptide +MetaCyc04202 2-furoyl-CoA [] C26H38N7O18P3S1 861.120688 NA metacyc NA NA +C00845 2-Furoyl-CoA C26H38N7O18P3S 861.1207 NA KEGG NA NA +MetaCyc04203 hexanoyl-CoA [hexanoyl-coenzyme A;] C27H42N7O17P3S1 861.157073 5060-32-2 metacyc NA NA +PJ056931 SCCCCNDD C27H43N9O15S4 861.1762 NA PeJP NA NA +PJ056932 PCCCCCCQ C28H47N9O10S6 861.1771 NA PeJP NA NA +PJ056933 GCCCCNEM C28H47N9O12S5 861.1948 NA PeJP NA NA +PJ056934 GCCCCCDR C27H47N11O11S5 861.2061 NA PeJP NA NA +PJ056935 CCCCNMW C32H47N9O9S5 861.2101 NA PeJP NA NA +PJ056936 SSCCCNDM C28H47N9O14S4 861.2126 NA PeJP NA NA +PJ056937 PCCCCCCK C29H51N9O9S6 861.2134 NA PeJP NA NA +PJ056938 CCDDDEY C32H43N7O17S2 861.2157 NA PeJP NA NA +PJ056939 CCDEMMM C30H51N7O12S5 861.22 NA PeJP NA NA +PJ056940 GSTCCCCW C32H47N9O11S4 861.2278 NA PeJP NA NA +PJ056941 GSSSSCCCE C28H47N9O16S3 861.2303 NA PeJP NA NA +PJ056942 GSCCCQMM C29H51N9O11S5 861.2312 NA PeJP NA NA +PJ056943 CCDDEMF C33H47N7O14S3 861.2344 NA PeJP NA NA +PJ056944 CCCEMHH C31H47N11O10S4 861.2391 NA PeJP NA NA +PJ056945 GSCCCCMR C28H51N11O10S5 861.2424 NA PeJP NA NA +PJ056946 CCCCHFF C36H47N9O8S4 861.2431 NA PeJP NA NA +PJ056947 DDDDDMH C31H43N9O18S 861.2447 NA PeJP NA NA +FL7AAAGL0068 Pelargonidin 3-rutinoside-7-(6-(p-hydroxybenzoyl)glucoside) C40H45O21 861.24533 215237-86-8 knapsack NA NA +PJ056948 SSSSCCCW C32H47N9O13S3 861.2456 NA PeJP NA NA +PJ056949 SSSSSSCCD C28H47N9O18S2 861.2481 NA PeJP NA NA +PJ056950 SSSCCNMM C29H51N9O13S4 861.2489 NA PeJP NA NA +PJ056951 GGSSSCCMM C29H51N9O13S4 861.249 NA PeJP NA NA +PJ056952 SCDDEMY C33H47N7O16S2 861.2521 NA PeJP NA NA +PJ056953 PCCDMMY C34H51N7O11S4 861.253 NA PeJP NA NA +PJ056954 GSCNDDDH C30H43N11O17S 861.256 NA PeJP NA NA +PJ056955 SCEMMMM C31H55N7O11S5 861.2563 NA PeJP NA NA +PJ056956 GPCCCNEH C31H47N11O12S3 861.2568 NA PeJP NA NA +PJ056957 SSTCCCCR C28H51N11O12S4 861.2602 NA PeJP NA NA +PJ056958 GCCCQYW C36H47N9O10S3 861.2608 NA PeJP NA NA +PJ056959 GPNDDDDD C31H43N9O20 861.2625 NA PeJP NA NA +PJ056960 GSSCCNEY C32H47N9O15S2 861.2633 NA PeJP NA NA +PJ056961 CCNNMMF C33H51N9O10S4 861.2642 NA PeJP NA NA +PJ056962 GDDDDYY C36H43N7O18 861.2665 NA PeJP NA NA +PJ056963 GSSSSTCCM C29H51N9O15S3 861.2667 NA PeJP NA NA +PJ056964 PCCDDFY C37H47N7O13S2 861.2674 NA PeJP NA NA +PJ056965 GSCCCKMM C30H55N9O10S5 861.2676 NA PeJP NA NA +PJ056966 GDDMMMY C34H51N7O13S3 861.2707 NA PeJP NA NA +PJ056967 PCCMMMF C35H55N7O8S5 861.2716 NA PeJP NA NA +PJ056968 PCCCNHW C35H47N11O9S3 861.2721 NA PeJP NA NA +PJ056969 CNNDEMH C31H47N11O14S2 861.2746 NA PeJP NA NA +PJ056970 GMMMMMM C32H59N7O8S6 861.275 NA PeJP NA NA +PJ056971 CCCCQFR C32H51N11O9S4 861.2754 NA PeJP NA NA +PJ056972 GACCCCFR C32H51N11O9S4 861.2755 NA PeJP NA NA +PJ056973 SSCCNYW C36H47N9O12S2 861.2786 NA PeJP NA NA +PJ056974 SSSSCNDY C32H47N9O17S 861.2811 NA PeJP NA NA +PJ056975 SCNNMMY C33H51N9O12S3 861.282 NA PeJP NA NA +PJ056976 SSSSSTTCC C29H51N9O17S2 861.2844 NA PeJP NA NA +PJ056977 SSSSSSSCM C29H51N9O17S2 861.2845 NA PeJP NA NA +PJ056978 SPCDDYY C37H47N7O15S 861.2851 NA PeJP NA NA +PJ056979 SSTCCCKM C30H55N9O12S4 861.2853 NA PeJP NA NA +PJ056980 CCNDDHR C30H47N13O13S2 861.2858 NA PeJP NA NA +PJ056981 CEMMYW C38H51N7O10S3 861.286 NA PeJP NA NA +PJ056982 PDDEEEE C33H47N7O20 861.2876 NA PeJP NA NA +PJ056983 SSDEMMY C34H51N7O15S2 861.2885 NA PeJP NA NA +PJ056984 SPCMMMY C35H55N7O10S4 861.2893 NA PeJP NA NA +PJ056985 GDMMMMF C35H55N7O10S4 861.2894 NA PeJP NA NA +PJ056986 GCNDMHW C35H47N11O11S2 861.2898 NA PeJP NA NA +PJ056987 GSSNDDMH C31H47N11O16S 861.2923 NA PeJP NA NA +PJ056988 GGGGGPCNDE C31H47N11O16S 861.2924 NA PeJP NA NA +PJ056989 STMMMMM C32H59N7O10S5 861.2927 NA PeJP NA NA +PJ056990 SCCCQRY C32H51N11O11S3 861.2932 NA PeJP NA NA +PJ056991 GCNNEYY C36H47N9O14S 861.2963 NA PeJP NA NA +PJ056992 GGGCNEYY C36H47N9O14S 861.2964 NA PeJP NA NA +PJ056993 GCCCKYW C37H51N9O9S3 861.2972 NA PeJP NA NA +PJ056994 GSPNDDEE C32H47N9O19 861.2989 NA PeJP NA NA +PJ056995 GSSSCQMY C33H51N9O14S2 861.2997 NA PeJP NA NA +PJ056996 SDDDHHH C33H43N13O15 861.3002 NA PeJP NA NA +PJ056997 CDEFYW C41H47N7O12S 861.3004 NA PeJP NA NA +PJ056998 CCCQKMF C34H55N9O9S4 861.3006 NA PeJP NA NA +PJ056999 PCCEHHH C34H47N13O10S2 861.3011 NA PeJP NA NA +PJ057000 GSDEEYY C37H47N7O17 861.3029 NA PeJP NA NA +PJ057001 SSSCNNNH C30H47N13O15S 861.3036 NA PeJP NA NA +PJ057002 GPCEMYY C38H51N7O12S2 861.3037 NA PeJP NA NA +PJ057003 GDDMMFF C38H51N7O12S2 861.3038 NA PeJP NA NA +PJ057004 GSPCCCHR C31H51N13O10S3 861.3044 NA PeJP NA NA +PJ057005 CCQHWW C39H47N11O8S2 861.3051 NA PeJP NA NA +PJ057006 GTEMMMY C35H55N7O12S3 861.3071 NA PeJP NA NA +PJ057007 SSCNEHW C35H47N11O13S 861.3076 NA PeJP NA NA +PJ057008 GCMMHHF C36H51N11O8S3 861.3085 NA PeJP NA NA +PJ057009 SSSSNDEH C31H47N11O18 861.3101 NA PeJP NA NA +PJ057010 GSSSCCRY C32H51N11O13S2 861.311 NA PeJP NA NA +PJ057011 CNNYYW C40H47N9O11S 861.3116 NA PeJP NA NA +PJ057012 CCCCKFR C33H55N11O8S4 861.3118 NA PeJP NA NA +PJ057013 SPNDDEW C36H47N9O16 861.3141 NA PeJP NA NA +PJ057014 EEMMHW C37H51N9O11S2 861.315 NA PeJP NA NA +PJ057015 SSSSSNMY C33H51N9O16S 861.3175 NA PeJP NA NA +PJ057016 SDEYYW C41H47N7O14 861.3181 NA PeJP NA NA +PJ057017 SCCQKMY C34H55N9O11S3 861.3183 NA PeJP NA NA +PJ057018 GGTCCKMY C34H55N9O11S3 861.3184 NA PeJP NA NA +PJ057019 CNNNNHF C34H47N13O12S 861.3188 NA PeJP NA NA +PJ057020 GGGGGGGGCHF C34H47N13O12S 861.3189 NA PeJP NA NA +PJ057021 PCMYYW C42H51N7O9S2 861.319 NA PeJP NA NA +PJ057022 NNNDDDR C30H47N13O17 861.3213 NA PeJP NA NA +PJ057023 GGGGGGDDDR C30H47N13O17 861.3214 NA PeJP NA NA +PJ057024 QEEMYY C38H51N7O14S 861.3215 NA PeJP NA NA +PJ057025 SCNDMHR C31H51N13O12S2 861.3222 NA PeJP NA NA +PJ057026 TMMMYW C39H55N7O9S3 861.3224 NA PeJP NA NA +PJ057027 GSSCHWW C39H47N11O10S 861.3228 NA PeJP NA NA +PJ057028 GCDHHFF C39H47N11O10S 861.3229 NA PeJP NA NA +PJ057029 PTEEEEE C34H51N7O19 861.324 NA PeJP NA NA +PJ057030 STTEMMY C35H55N7O14S2 861.3249 NA PeJP NA NA +PJ057031 GSSSSDHW C35H47N11O15 861.3253 NA PeJP NA NA +PJ057032 GGGNNEEW C35H47N11O15 861.3254 NA PeJP NA NA +PJ057033 GVMMMMY C36H59N7O9S4 861.3257 NA PeJP NA NA +PJ057034 GSNMMHW C36H51N11O10S2 861.3262 NA PeJP NA NA +MJ096410 Cephabacin F; Cephabacin F4, N27-(L-Alanyl-L-seryl) C32H51N11O15S 861.32868 NA MeJP NA NA +PJ057035 PNDDDMR C32H51N11O15S 861.3287 NA PeJP NA NA +PJ057036 GSPDDWW C40H47N9O13 861.3294 NA PeJP NA NA +PJ057037 SCCCKRY C33H55N11O10S3 861.3296 NA PeJP NA NA +PJ057038 SCNQHHH C33H47N15O11S 861.3301 NA PeJP NA NA +PJ057039 APPCCWW C41H51N9O8S2 861.3302 NA PeJP NA NA +PJ057040 GPNEEMW C37H51N9O13S 861.3327 NA PeJP NA NA +PJ057041 GGGPEEMW C37H51N9O13S 861.3328 NA PeJP NA NA +PJ057042 PPCMMHF C38H55N9O8S3 861.3336 NA PeJP NA NA +PJ057043 DMHHHW C38H47N13O9S 861.3341 NA PeJP NA NA +PJ057044 GSSSSSSTY C33H51N9O18 861.3352 NA PeJP NA NA +PJ057045 GAAQEEEE C33H51N9O18 861.3353 NA PeJP NA NA +PJ057046 GSSSCKMY C34H55N9O13S2 861.3361 NA PeJP NA NA +PJ057047 SNNNNNW C34H47N13O14 861.3366 NA PeJP NA NA +PJ057048 AEMYYW C42H51N7O11S 861.3368 NA PeJP NA NA +PJ057049 MMMMRY C35H59N9O8S4 861.337 NA PeJP NA NA +PJ057050 ASCCHRW C35H51N13O9S2 861.3374 NA PeJP NA NA +PJ057051 GTCCHRW C35H51N13O9S2 861.3375 NA PeJP NA NA +PJ057052 ASTEEYY C38H51N7O16 861.3392 NA PeJP NA NA +PJ057053 GTTEEYY C38H51N7O16 861.3393 NA PeJP NA NA +PJ057054 NNNNQQM C31H51N13O14S 861.3399 NA PeJP NA NA +PJ057055 GSSSCEHR C31H51N13O14S 861.34 NA PeJP NA NA +PJ057056 GPTMMYY C39H55N7O11S2 861.3401 NA PeJP NA NA +PJ057057 NNNEWW C39H47N11O12 861.3406 NA PeJP NA NA +PJ057058 GCQMMHR C32H55N13O9S3 861.3408 NA PeJP NA NA +PJ057059 CCKHWW C40H51N11O7S2 861.3415 NA PeJP NA NA +PJ057060 PVEEEEM C35H55N7O16S 861.3426 NA PeJP NA NA +PJ057061 SSLMMMY C36H59N7O11S3 861.3435 NA PeJP NA NA +PJ057062 GPCDERW C36H51N11O12S 861.344 NA PeJP NA NA +PJ057063 GNEEEER C32H51N11O17 861.3465 NA PeJP NA NA +PJ057064 ASPPCCER C33H55N11O12S2 861.3473 NA PeJP NA NA +PJ057065 GSPPCDMR C33H55N11O12S2 861.3474 NA PeJP NA NA +PJ057066 GSSSNHHH C33H47N15O13 861.3478 NA PeJP NA NA +PJ057067 PNEMWW C41H51N9O10S 861.348 NA PeJP NA NA +PJ057068 AAQEEEW C37H51N9O15 861.3505 NA PeJP NA NA +PJ057069 CNNNNQR C30H51N15O13S 861.3512 NA PeJP NA NA +PJ057070 SPPNMMW C38H55N9O10S2 861.3514 NA PeJP NA NA +PJ057071 GPNDHHW C38H47N13O11 861.3518 NA PeJP NA NA +PJ057072 GGGPDHHW C38H47N13O11 861.3519 NA PeJP NA NA +PJ057073 PCFFYW C46H51N7O8S 861.352 NA PeJP NA NA +PJ057074 GCCMHRR C31H55N15O8S3 861.3521 NA PeJP NA NA +MJ096411 Cephabacin M; Cephabacin M2 C34H55N9O15S 861.353832 NA MeJP NA NA +PJ057075 SSSSTCKY C34H55N9O15S 861.3539 NA PeJP NA NA +PJ057076 TTEYYW C42H51N7O13 861.3545 NA PeJP NA NA +PJ057077 SCCKKMY C35H59N9O10S3 861.3547 NA PeJP NA NA +PJ057078 GGAAPPMMM C35H59N9O10S3 861.3548 NA PeJP NA NA +PJ057079 SSSCHRW C35H51N13O11S 861.3552 NA PeJP NA NA +PJ057080 CLMFYW C43H55N7O8S2 861.3554 NA PeJP NA NA +PJ057081 GNNWWW C43H47N11O9 861.3559 NA PeJP NA NA +PJ057082 GDDDERR C31H51N13O16 861.3577 NA PeJP NA NA +PJ057083 KEEMYY C39H55N7O13S 861.3579 NA PeJP NA NA +PJ057084 SSNMMHR C32H55N13O11S2 861.3586 NA PeJP NA NA +PJ057085 GVMMMFF C40H59N7O8S3 861.3588 NA PeJP NA NA +PJ057086 PCDRWW C40H51N11O9S 861.3592 NA PeJP NA NA +PJ057087 VVEEEEE C35H55N7O18 861.3604 NA PeJP NA NA +PJ057088 NEEERW C36H51N11O14 861.3617 NA PeJP NA NA +PJ057089 GGGGGDKEW C36H51N11O14 861.3618 NA PeJP NA NA +PJ057090 PPTCCRW C37H55N11O9S2 861.3626 NA PeJP NA NA +PJ057091 GNNHHHF C37H47N15O10 861.3631 NA PeJP NA NA +PJ057092 GPMWWW C45H51N9O7S 861.3633 NA PeJP NA NA +PJ057093 SPNEEMR C33H55N11O14S 861.3651 NA PeJP NA NA +PJ057094 ASSPEWW C41H51N9O12 861.3657 NA PeJP NA NA +PJ057095 VNEEWW C41H51N9O12 861.3658 NA PeJP NA NA +PJ057096 PPCQMMR C34H59N11O9S3 861.366 NA PeJP NA NA +PJ057097 SCNKHHH C34H51N15O10S 861.3664 NA PeJP NA NA +PJ057098 GGSCKHHH C34H51N15O10S 861.3665 NA PeJP NA NA +PJ057099 GSSNNNNR C30H51N15O15 861.3689 NA PeJP NA NA +PJ057100 GGGGGSSNNR C30H51N15O15 861.369 NA PeJP NA NA +PJ057101 GPDKEMW C38H55N9O12S 861.3691 NA PeJP NA NA +PJ057102 APYYYW C46H51N7O10 861.3698 NA PeJP NA NA +PJ057103 MMMFFR C39H59N9O7S3 861.37 NA PeJP NA NA +PJ057104 CNHFRW C39H51N13O8S 861.3705 NA PeJP NA NA +PJ057105 AQKEEEE C34H55N9O17 861.3716 NA PeJP NA NA +PJ057106 TTLEMMH C35H59N9O12S2 861.3725 NA PeJP NA NA +PJ057107 DDDRRW C35H51N13O13 861.373 NA PeJP NA NA +PJ057108 SLMYYW C43H55N7O10S 861.3731 NA PeJP NA NA +PJ057109 GVDMFFF C43H55N7O10S 861.3732 NA PeJP NA NA +PJ057110 GLMMHHH C36H55N13O8S2 861.3738 NA PeJP NA NA +PJ057111 GTHHHHH C36H47N17O9 861.3743 NA PeJP NA NA +PJ057112 SSTLEYY C39H55N7O15 861.3756 NA PeJP NA NA +PJ057113 PPVEEEY C39H55N7O15 861.3757 NA PeJP NA NA +PJ057114 SPCDERR C32H55N13O13S 861.3763 NA PeJP NA NA +PJ057115 GGGGAQEMR C32H55N13O13S 861.3764 NA PeJP NA NA +PJ057116 AALMMYY C40H59N7O10S2 861.3765 NA PeJP NA NA +PJ057117 GEERWW C40H51N11O11 861.377 NA PeJP NA NA +PJ057118 PPCCMRR C33H59N13O8S3 861.3772 NA PeJP NA NA +PJ057119 GSPEMRW C37H55N11O11S 861.3804 NA PeJP NA NA +PJ057120 GVEWWW C45H51N9O9 861.381 NA PeJP NA NA +PJ057121 SSSSTKEH C33H55N11O16 861.3828 NA PeJP NA NA +PJ057122 GDKEEER C33H55N11O16 861.3829 NA PeJP NA NA +PJ057123 APQEMMR C34H59N11O11S2 861.3837 NA PeJP NA NA +PJ057124 GGGGGAPKMM C34H59N11O11S2 861.3838 NA PeJP NA NA +PJ057125 SPNDHHR C34H51N15O12 861.3842 NA PeJP NA NA +PJ057126 PDKMWW C42H55N9O9S 861.3844 NA PeJP NA NA +PJ057127 AAKEEEW C38H55N9O14 861.3869 NA PeJP NA NA +PJ057128 GNNDMRR C31H55N15O12S 861.3876 NA PeJP NA NA +PJ057129 VMMRYY C39H59N9O9S2 861.3877 NA PeJP NA NA +PJ057130 GPLQMMW C39H59N9O9S2 861.3878 NA PeJP NA NA +PJ057131 SNNRWW C39H51N13O10 861.3882 NA PeJP NA NA +PJ057132 CLFFFW C47H55N7O7S 861.3884 NA PeJP NA NA +PJ057133 SPPTTTQM C35H59N9O14S 861.3902 NA PeJP NA NA +PJ057134 PTQKEEM C35H59N9O14S 861.3903 NA PeJP NA NA +PJ057135 PKEYYY C43H55N7O12 861.3909 NA PeJP NA NA +PJ057136 SLLMMMH C36H63N9O9S3 861.3911 NA PeJP NA NA +PJ057137 NQQMRW C36H55N13O10S 861.3916 NA PeJP NA NA +PJ057138 ERWWW C44H51N11O8 861.3922 NA PeJP NA NA +PJ057139 GAHHFFF C44H51N11O8 861.3923 NA PeJP NA NA +MJ096412 5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 13-[2-hydroxy-3-(4-methylhexanoylamino)-3-phenylpropanoyl], 2-benzoyl, 4,10-di-Ac C47H59NO14 861.393555 NA MeJP NA NA +MJ096413 Taxol?; N-Debenzoyl, N-hexanoyl, N-Me C47H59NO14 861.393555 NA MeJP NA NA +PJ057140 GSEEERR C32H55N13O15 861.3941 NA PeJP NA NA +PJ057141 ATTLMYY C40H59N7O12S 861.3943 NA PeJP NA NA +PJ057142 GPDMMRR C33H59N13O10S2 861.395 NA PeJP NA NA +PJ057143 GNNQHHR C33H51N17O11 861.3954 NA PeJP NA NA +PJ057144 GGGGGQHHR C33H51N17O11 861.3955 NA PeJP NA NA +PJ057145 SPMRWW C41H55N11O8S 861.3956 NA PeJP NA NA +PJ057146 VWWWW C49H51N9O6 861.3963 NA PeJP NA NA +PJ057147 TLLEEEE C36H59N7O17 861.3968 NA PeJP NA NA +PJ057148 PLLEEMM C37H63N7O12S2 861.3977 NA PeJP NA NA +PJ057149 DKEERW C37H55N11O13 861.3981 NA PeJP NA NA +PJ057150 AAPMMRW C38H59N11O8S2 861.399 NA PeJP NA NA +PJ057151 EHHHFR C38H51N15O9 861.3995 NA PeJP NA NA +PJ057152 GLQEEMR C34H59N11O13S 861.4015 NA PeJP NA NA +PJ057153 VDKEWW C42H55N9O11 861.4021 NA PeJP NA NA +PJ057154 GGGPLEFW C42H55N9O11 861.4022 NA PeJP NA NA +PJ057155 PPCKMMR C35H63N11O8S3 861.4024 NA PeJP NA NA +PJ057156 CNQRRW C35H55N15O9S 861.4028 NA PeJP NA NA +PJ057157 VHHHFW C43H51N13O7 861.4035 NA PeJP NA NA +PJ057158 SSNNERR C31H55N15O14 861.4053 NA PeJP NA NA +PJ057159 APTKEMW C39H59N9O11S 861.4055 NA PeJP NA NA +PJ057160 ALFYYW C47H55N7O9 861.4062 NA PeJP NA NA +PJ057161 AKKEEEE C35H59N9O16 861.408 NA PeJP NA NA +PJ057162 PVQKEMM C36H63N9O11S2 861.4089 NA PeJP NA NA +PJ057163 GSNDKRW C36H55N13O12 861.4093 NA PeJP NA NA +PJ057164 SEERRW C36H55N13O12 861.4094 NA PeJP NA NA +PJ057165 AALMFFY C44H59N7O9S 861.4095 NA PeJP NA NA +8144 peptide derived from jumbo squid skin gelatin (Dosidicus gigas) FDSGPAGVL 861.4099 stimulating Inhouse_peptide NA peptide +PJ057166 TTTTLYY C40H59N7O14 861.412 NA PeJP NA NA +PJ057167 AAEEMRR C33H59N13O12S 861.4127 NA PeJP NA NA +PJ057168 GGGGGGGGKKM C33H59N13O12S 861.4128 NA PeJP NA NA +PJ057169 SVERWW C41H55N11O10 861.4134 NA PeJP NA NA +PJ057170 GPCHHRR C34H55N17O8S 861.4141 NA PeJP NA NA +PJ057171 VLLEEEM C37H63N7O14S 861.4154 NA PeJP NA NA +PJ057172 LQEMRW C38H59N11O10S 861.4167 NA PeJP NA NA +PJ057173 GALEMRW C38H59N11O10S 861.4168 NA PeJP NA NA +PJ057174 ATLWWW C46H55N9O8 861.4174 NA PeJP NA NA +PJ057175 ATKEEER C34H59N11O15 861.4192 NA PeJP NA NA +PJ057176 SVDKEER C34H59N11O15 861.4193 NA PeJP NA NA +PJ057177 APKEMMR C35H63N11O10S2 861.4201 NA PeJP NA NA +PJ057178 GSSNRRW C35H55N15O11 861.4206 NA PeJP NA NA +PJ057179 VLQMWW C43H59N9O8S 861.4208 NA PeJP NA NA +PJ057180 GTLKEEW C39H59N9O13 861.4233 NA PeJP NA NA +PJ057181 SVCNQRR C32H59N15O11S 861.4239 NA PeJP NA NA +PJ057182 DEMRRR C32H59N15O11S 861.424 NA PeJP NA NA +PJ057183 GPLKMMW C40H63N9O8S2 861.4241 NA PeJP NA NA +PJ057184 GPTKHHW C40H55N13O9 861.4246 NA PeJP NA NA +PJ057185 PTKKEEM C36H63N9O13S 861.4266 NA PeJP NA NA +PJ057186 GGVLKEEM C36H63N9O13S 861.4267 NA PeJP NA NA +PJ057187 LLQYYY C44H59N7O11 861.4273 NA PeJP NA NA +PJ057188 PPKKMMM C37H67N9O8S3 861.4275 NA PeJP NA NA +PJ057189 VDMRRW C37H59N13O9S 861.428 NA PeJP NA NA +PJ057190 APFRWW C45H55N11O7 861.4286 NA PeJP NA NA +PJ057191 ATTEERR C33H59N13O14 861.4305 NA PeJP NA NA +PJ057192 PPLLEMY C41H63N7O11S 861.4307 NA PeJP NA NA +PJ057193 SPCLMRR C34H63N13O9S2 861.4313 NA PeJP NA NA +PJ057194 APTMMRR C34H63N13O9S2 861.4314 NA PeJP NA NA +PJ057195 QEHHRR C34H55N17O10 861.4318 NA PeJP NA NA +PJ057196 ALMRWW C42H59N11O7S 861.432 NA PeJP NA NA +PJ057197 GTTLERW C38H59N11O12 861.4345 NA PeJP NA NA +PJ057198 GSCQRRR C31H59N17O10S 861.4352 NA PeJP NA NA +PJ057199 VQHHRW C39H55N15O8 861.4358 NA PeJP NA NA +PJ057200 GGLHHRW C39H55N15O8 861.4359 NA PeJP NA NA +PJ057201 GLKEEMR C35H63N11O12S 861.4379 NA PeJP NA NA +PJ057202 TLKEWW C43H59N9O10 861.4385 NA PeJP NA NA +PJ057203 CNKRRW C36H59N15O8S 861.4392 NA PeJP NA NA +PJ057204 SSNDKRR C32H59N15O13 861.4417 NA PeJP NA NA +PJ057205 GVLKEMW C40H63N9O10S 861.4419 NA PeJP NA NA +PJ057206 AALFFFF C48H59N7O8 861.4425 NA PeJP NA NA +PJ057207 GVVFFFF C48H59N7O8 861.4426 NA PeJP NA NA +PJ057208 SLKKEEE C36H63N9O15 861.4444 NA PeJP NA NA +PJ057209 PVKKEMM C37H67N9O10S2 861.4453 NA PeJP NA NA +PJ057210 GSTQKRW C37H59N13O11 861.4457 NA PeJP NA NA +PJ057211 GGGGAPKRY C37H59N13O11 861.4458 NA PeJP NA NA +PJ057212 AHHRRW C38H55N17O7 861.4471 NA PeJP NA NA +PJ057213 PVLLEEY C41H63N7O13 861.4484 NA PeJP NA NA +PJ057214 GTLEMRR C34H63N13O11S 861.4491 NA PeJP NA NA +PJ057215 SQKKWW C42H59N11O9 861.4497 NA PeJP NA NA +PJ057216 TTLRWW C42H59N11O9 861.4498 NA PeJP NA NA +PJ057217 SSSNRRR C31H59N17O12 861.4529 NA PeJP NA NA +PJ057218 GGSSSRRR C31H59N17O12 861.453 NA PeJP NA NA +PJ057219 LKEMRW C39H63N11O9S 861.4531 NA PeJP NA NA +PJ057220 PVKFWW C47H59N9O7 861.4538 NA PeJP NA NA +PJ057221 STLKEER C35H63N11O14 861.4556 NA PeJP NA NA +PJ057222 SPLKMMR C36H67N11O9S2 861.4565 NA PeJP NA NA +PJ057223 PDRRRY C36H59N15O10 861.457 NA PeJP NA NA +PJ057224 VLKMWW C44H63N9O7S 861.4572 NA PeJP NA NA +PJ057225 SSLLKEW C40H63N9O12 861.4596 NA PeJP NA NA +PJ057226 VVTTKEW C40H63N9O12 861.4597 NA PeJP NA NA +PJ057227 GSQKMRR C33H63N15O10S 861.4603 NA PeJP NA NA +PJ057228 GGGTKMRR C33H63N15O10S 861.4604 NA PeJP NA NA +PJ057229 PTFRRW C41H59N13O8 861.461 NA PeJP NA NA +PJ057230 VVKKEEM C37H67N9O12S 861.463 NA PeJP NA NA +PJ057231 LLKYYY C45H63N7O10 861.4637 NA PeJP NA NA +PJ057232 TLMRRW C38H63N13O8S 861.4644 NA PeJP NA NA +PJ057233 STTLERR C34H63N13O13 861.4669 NA PeJP NA NA +PJ057234 PLLLEMF C42H67N7O10S 861.4671 NA PeJP NA NA +PJ057235 GVLMMRR C35H67N13O8S2 861.4677 NA PeJP NA NA +PJ057236 NNFRRR C35H59N17O9 861.4682 NA PeJP NA NA +PJ057237 LLLLEMM C39H71N7O10S2 861.4704 NA PeJP NA NA +PJ057238 SSTLLRW C39H63N11O11 861.4709 NA PeJP NA NA +PJ057239 GSCKRRR C32H63N17O9S 861.4716 NA PeJP NA NA +MJ096414 Ancorinoside C C42H71NO17 861.472199 NA MeJP NA NA +MJ096415 Leucomycin A3; 10,11,12,13-Tetrahydro, 12?,13?-dihydroxy, 9-ketone C42H71NO17 861.472199 NA MeJP NA NA +PJ057240 VKHHRW C40H59N15O7 861.4722 NA PeJP NA NA +PJ057241 SVLKEMR C36H67N11O11S 861.4743 NA PeJP NA NA +PJ057242 GPVLKYW C44H63N9O9 861.4749 NA PeJP NA NA +PJ057243 PMFRRR C37H63N15O7S 861.4756 NA PeJP NA NA +PJ057244 SSTQKRR C33H63N15O12 861.4781 NA PeJP NA NA +PJ057245 ATLLKMW C41H67N9O9S 861.4783 NA PeJP NA NA +PJ057246 LMMRRR C34H67N15O7S2 861.479 NA PeJP NA NA +PJ057247 THHRRR C34H59N19O8 861.4794 NA PeJP NA NA +PJ057248 GTTTLLKE C37H67N9O14 861.4808 NA PeJP NA NA +PJ057249 VLLQKMM C38H71N9O9S2 861.4817 NA PeJP NA NA +PJ057250 GSTKKRW C38H63N13O10 861.4821 NA PeJP NA NA +PJ057251 VLLLEEF C42H67N7O12 861.4848 NA PeJP NA NA +PJ057252 SSLLMRR C35H67N13O10S 861.4855 NA PeJP NA NA +PJ057253 SKKKWW C43H63N11O8 861.4861 NA PeJP NA NA +PJ057254 GALLFRW C43H63N11O8 861.4862 NA PeJP NA NA +MJ096416 Okadaic acid; Glycine amide C46H71NO14 861.487455 NA MeJP NA NA +PJ057255 AAKKKMW C40H67N11O8S 861.4895 NA PeJP NA NA +PJ057256 SSSSLLLR C36H67N11O13 861.492 NA PeJP NA NA +PJ057257 ALLKMMR C37H71N11O8S2 861.4929 NA PeJP NA NA +PJ057258 VEFRRR C37H63N15O9 861.4934 NA PeJP NA NA +PJ057259 TTTLLKW C41H67N9O11 861.496 NA PeJP NA NA +PJ057260 GGGGLLLLY C41H67N9O11 861.4961 NA PeJP NA NA +PJ057261 GSKKMRR C34H67N15O9S 861.4967 NA PeJP NA NA +PJ057262 VVFRRW C42H63N13O7 861.4974 NA PeJP NA NA +PJ057263 TLLKKEM C38H71N9O11S 861.4994 NA PeJP NA NA +PJ057264 PPLLLFY C46H67N7O9 861.5001 NA PeJP NA NA +PJ057265 SSKKKER C35H67N13O12 861.5032 NA PeJP NA NA +PJ057266 GSSSLKKR C35H67N13O12 861.5033 NA PeJP NA NA +PJ057267 PLLLLMY C43H71N7O9S 861.5034 NA PeJP NA NA +PJ057268 ATTKKKW C40H67N11O10 861.5073 NA PeJP NA NA +MJ096417 Erythromycin; 2'-(Ethyl butanedioate) C43H75NO16 861.508585 NA MeJP NA NA +C12796 Erythromycin ethylsuccinate C43H75NO16 861.5086 NA KEGG NA NA +PJ057269 TTLLKMR C37H71N11O10S 861.5106 NA PeJP NA NA +PJ057270 GGTLKKKM C37H71N11O10S 861.5107 NA PeJP NA NA +PJ057271 GVLLKFW C45H67N9O8 861.5113 NA PeJP NA NA +PJ057272 SSTKKRR C34H67N15O11 861.5145 NA PeJP NA NA +PJ057273 PVLKKMF C42H71N9O8S 861.5147 NA PeJP NA NA +PJ057274 SSTTLLLK C38H71N9O13 861.5172 NA PeJP NA NA +PJ057275 VLLKKMM C39H75N9O8S2 861.518 NA PeJP NA NA +PJ057276 AALLRRY C39H67N13O9 861.5185 NA PeJP NA NA +PJ057277 VLLLLEY C43H71N7O11 861.5212 NA PeJP NA NA +PJ057278 ATKKKMR C36H71N13O9S 861.5219 NA PeJP NA NA +PJ057279 LLKFRW C44H67N11O7 861.5225 NA PeJP NA NA +PJ057280 TTKKKKE C37H71N11O12 861.5284 NA PeJP NA NA +PJ057281 VLRRRY C38H67N15O8 861.5297 NA PeJP NA NA +PJ057282 GAKKFRR C38H67N15O8 861.5298 NA PeJP NA NA +PJ057283 PTLLKKY C42H71N9O10 861.5324 NA PeJP NA NA +PJ057284 PLLLLFF C47H71N7O8 861.5365 NA PeJP NA NA +PJ057285 TTTKKKR C36H71N13O11 861.5396 NA PeJP NA NA +PJ057286 LLLLLMF C44H75N7O8S 861.5398 NA PeJP NA NA +PJ057287 GLLLKRY C41H71N11O9 861.5437 NA PeJP NA NA +PJ057288 SLKKKKM C38H75N11O9S 861.547 NA PeJP NA NA +PJ057289 GVKKKFR C40H71N13O8 861.5549 NA PeJP NA NA +PJ057290 KKKFRR C39H71N15O7 861.5661 NA PeJP NA NA +PJ057291 VVLLKKY C43H75N9O9 861.5688 NA PeJP NA NA +PJ057292 ALKKKKF C42H75N11O8 861.5801 NA PeJP NA NA +HMDB04833 Galabiosylceramide (d18:1/16:0) C46H87NO13 861.617737 NA HMDB2010 NA NA +HMDB06750 Lactosylceramide (d18:1/16:0) C46H87NO13 861.617737 NA HMDB2010 NA NA +HMDB04833 Galabiosylceramide (d18:1/16:0) C46H87NO13 861.61774 http://www.hmdb.ca/metabolites/HMDB04833 HMDB NA NA +HMDB04868 Lactosylceramide (d18:1/16:0) C46H87NO13 861.61774 http://www.hmdb.ca/metabolites/HMDB04868 HMDB NA NA +HMDB04833 Galabiosylceramide (d18:1/16:0) C46H87NO13 861.61774 HMDB04833 PFEM_hmdb_metabocards_official NA NA +HMDB04868 Lactosylceramide (d18:1/16:0) C46H87NO13 861.61774 HMDB04868 PFEM_hmdb_metabocards_official NA NA +HMDB08288 PC(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C50H88NO8P 861.624756 NA HMDB2010 NA NA +HMDB08319 PC(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C50H88NO8P 861.624756 NA HMDB2010 NA NA +HMDB08320 PC(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C50H88NO8P 861.624756 NA HMDB2010 NA NA +HMDB08351 PC(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) C50H88NO8P 861.624756 NA HMDB2010 NA NA +HMDB08448 PC(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)) C50H88NO8P 861.624756 NA HMDB2010 NA NA +HMDB08481 PC(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z)) C50H88NO8P 861.624756 NA HMDB2010 NA NA +HMDB08513 PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z)) C50H88NO8P 861.624756 NA HMDB2010 NA NA +HMDB08576 PC(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C50H88NO8P 861.624756 NA HMDB2010 NA NA +HMDB08607 PC(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C50H88NO8P 861.624756 NA HMDB2010 NA NA +HMDB08608 PC(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) C50H88NO8P 861.624756 NA HMDB2010 NA NA +HMDB08637 PC(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z)) C50H88NO8P 861.624756 NA HMDB2010 NA NA +HMDB08669 PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)) C50H88NO8P 861.624756 NA HMDB2010 NA NA +HMDB08702 PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) C50H88NO8P 861.624756 NA HMDB2010 NA NA +HMDB08734 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0) C50H88NO8P 861.624756 NA HMDB2010 NA NA +MJ096418 Manzamenone A; [2-(4-Hydroxyphenyl)ethyl]amide C54H87NO7 861.648254 NA MeJP NA NA +EUR1117 SM(d18:1/24:0) [M+FA-H]- C47H96N2O6P 861.705481 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1117 SM(d18:1/24:0) [M+FA-H]- C47H96N2O6P 861.705481 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1117 SM(d18:1/24:0) [M+FA-H]- C47H96N2O6P 861.705481 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1117 SM(d18:1/24:0) [M+FA-H]- C47H96N2O6P 861.705481 masses lipides attendues Inhousejuil11 NA NA +MJ096419 Iosarcol C21H29I3N4O9 861.906858 NA MeJP NA NA +PJ057293 SCCCCDDD C27H42N8O16S4 862.1602 NA PeJP NA NA +PJ057294 PCCCCCCE C28H46N8O11S6 862.1611 NA PeJP NA NA +MJ096420 3,3',4',5,7-Pentahydroxyflavan(2?7,4?6)-3,3',4',5,7-pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan C45H34O18 862.174514 NA MeJP NA NA +MJ096421 3,3',4',5,7-Pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan C45H34O18 862.174514 NA MeJP NA NA +PJ057295 GCCCCDEM C28H46N8O13S5 862.1788 NA PeJP NA NA +PJ057296 SCCCCCNQ C27H46N10O12S5 862.1901 NA PeJP NA NA +PJ057297 CCCCDMW C32H46N8O10S5 862.1941 NA PeJP NA NA +C10404 Sennoside A C42H38O20 862.1956 NA KEGG NA NA +C13526 Sennoside B C42H38O20 862.1956 NA KEGG NA NA +C13527 Transferred to D02024 C42H38O20 862.1956 NA KEGG NA NA +C13528 Transferred to D02025 C42H38O20 862.1956 NA KEGG NA NA +C13529 Transferred to D02026 C42H38O20 862.1956 NA KEGG NA NA +C13530 Transferred to D02027 C42H38O20 862.1956 NA KEGG NA NA +C13531 Transferred to D02028 C42H38O20 862.1956 NA KEGG NA NA +C13532 Transferred to D02029 C42H38O20 862.1956 NA KEGG NA NA +C13533 Transferred to D02030 C42H38O20 862.1956 NA KEGG NA NA +C13940 Sennoside C42H38O20 862.1956 NA KEGG NA NA +C13941 Transferred to D02172 C42H38O20 862.1956 NA KEGG NA NA +C13942 Transferred to D02173 C42H38O20 862.1956 NA KEGG NA NA +C13944 Transferred to D02174 C42H38O20 862.1956 NA KEGG NA NA +HMDB02783 Sennoside B C42H38O20 862.195618 NA HMDB2010 NA NA +HMDB02783 Sennoside B C42H38O20 862.19562 http://www.hmdb.ca/metabolites/HMDB02783 HMDB NA NA +HMDB02783 Sennoside B C42H38O20 862.19562 HMDB02783 PFEM_hmdb_metabocards_official NA NA +MJ096422 Amentoflavone; 4',4'''-Di-O-?-D-glucopyranoside C42H38O20 862.195643 NA MeJP NA NA +MJ096423 Amentoflavone; 4',7''-Di-O-?-D-glucopyranoside C42H38O20 862.195643 NA MeJP NA NA +MJ096424 Sennidin, 5,5'-Di-O-?-D-glucopyranoside C42H38O20 862.195643 NA MeJP NA NA +PJ057298 SSCCCDDM C28H46N8O15S4 862.1966 NA PeJP NA NA +PJ057299 PTCCCCCM C29H50N8O10S6 862.1975 NA PeJP NA NA +PJ057300 GSSSCCCCN C27H46N10O14S4 862.2078 NA PeJP NA NA +PJ057301 GPCCCCDY C32H46N8O12S4 862.2118 NA PeJP NA NA +PJ057302 GSCCCEMM C29H50N8O12S5 862.2152 NA PeJP NA NA +PJ057303 GCCCCNNF C31H46N10O11S4 862.2231 NA PeJP NA NA +PJ057304 SCCCCCNK C28H50N10O11S5 862.2264 NA PeJP NA NA +PJ057305 GGSCCCCCK C28H50N10O11S5 862.2265 NA PeJP NA NA +PJ057306 CCNDDMY C32H46N8O14S3 862.2296 NA PeJP NA NA +PJ057307 SCCCMMW C33H50N8O9S5 862.2305 NA PeJP NA NA +PJ057308 SSSCCDMM C29H50N8O14S4 862.233 NA PeJP NA NA +PJ057309 CCNMMMM C30H54N8O9S6 862.2338 NA PeJP NA NA +PJ057310 GTCCCCHH C30H46N12O10S4 862.2343 NA PeJP NA NA +PJ057311 GSCDDDDH C30H42N10O18S 862.24 NA PeJP NA NA +PJ057312 GSCCCNNY C31H46N10O13S3 862.2408 NA PeJP NA NA +PJ057313 GCCCEYW C36H46N8O11S3 862.2449 NA PeJP NA NA +PJ057314 GPDDDDDD C31H42N8O21 862.2465 NA PeJP NA NA +PJ057315 GSSCCDEY C32H46N8O16S2 862.2474 NA PeJP NA NA +PJ057316 GSPCCCMY C33H50N8O11S4 862.2482 NA PeJP NA NA +PJ057317 GSTCCMMM C30H54N8O11S5 862.2516 NA PeJP NA NA +PJ057318 SSSCCCHH C30H46N12O12S3 862.2521 NA PeJP NA NA +MJ096425 Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 2,3,4,6-tetra-Ac C40H46O21 862.253158 NA MeJP NA NA +MJ096426 Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,E-), 1',2,3,6-tetra-Ac C40H46O21 862.253158 NA MeJP NA NA +MJ096427 Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,E-), 1',2,4,6-tetra-Ac C40H46O21 862.253158 NA MeJP NA NA +MJ096428 Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,E-), 1',3,4,6-tetra-Ac C40H46O21 862.253158 NA MeJP NA NA +PJ057319 PCCCDHW C35H46N10O10S3 862.2561 NA PeJP NA NA +PJ057320 CNDDEMH C31H46N10O15S2 862.2586 NA PeJP NA NA +PJ057321 CCCCEFR C32H50N10O10S4 862.2595 NA PeJP NA NA +PJ057322 CCCYWW C40H46N8O8S3 862.2601 NA PeJP NA NA +PJ057323 SSCCDYW C36H46N8O13S2 862.2626 NA PeJP NA NA +PJ057324 ACCCMFW C37H50N8O8S4 862.2635 NA PeJP NA NA +PJ057325 SSSSCDDY C32H46N8O18S 862.2651 NA PeJP NA NA +PJ057326 SCNDMMY C33H50N8O13S3 862.266 NA PeJP NA NA +PJ057327 CCCNHHF C34H46N12O9S3 862.2673 NA PeJP NA NA +MJ096429 Catalpol; 6-O-[4-Hydroxy-E-cinnamoyl-(?4)-2,3-di-O-benzoyl-?-L-rhamnopyranoside] C44H46O18 862.268414 NA MeJP NA NA +PJ057328 SSSSCMMM C30H54N8O13S4 862.2693 NA PeJP NA NA +PJ057329 CCDDDHR C30H46N12O14S2 862.2698 NA PeJP NA NA +PJ057330 ACCDEHW C35H46N10O12S2 862.2738 NA PeJP NA NA +PJ057331 GCDDMHW C35H46N10O12S2 862.2739 NA PeJP NA NA +PJ057332 ASSCDDEH C31H46N10O17S 862.2763 NA PeJP NA NA +PJ057333 GSSDDDMH C31H46N10O17S 862.2764 NA PeJP NA NA +PJ057334 SCCCERY C32H50N10O12S3 862.2772 NA PeJP NA NA +PJ057335 GCNDEYY C36H46N8O15S 862.2804 NA PeJP NA NA +PJ057336 GTCCMYW C37H50N8O10S3 862.2812 NA PeJP NA NA +PJ057337 GSPDDDEE C32H46N8O20 862.2829 NA PeJP NA NA +PJ057338 GSSSCEMY C33H50N8O15S2 862.2837 NA PeJP NA NA +PJ057339 GPPCDDEM C33H50N8O15S2 862.2838 NA PeJP NA NA +PJ057340 GCQMMMY C34H54N8O10S4 862.2846 NA PeJP NA NA +PJ057341 SCCNNHW C34H46N12O11S2 862.2851 NA PeJP NA NA +PJ057342 SSSCNNDH C30H46N12O16S 862.2876 NA PeJP NA NA +PJ057343 CNNNMMH C31H50N12O11S3 862.2884 NA PeJP NA NA +PJ057344 GGCNNMMH C31H50N12O11S3 862.2885 NA PeJP NA NA +PJ057345 CCEHWW C39H46N10O9S2 862.2891 NA PeJP NA NA +MJ096430 Lisianthioside; 4'-(4-Hydroxy-E-cinnamoyl) C41H50O20 862.289544 NA MeJP NA NA +MJ096431 Lisianthioside; 4'-(4-Hydroxy-Z-cinnamoyl) C41H50O20 862.289544 NA MeJP NA NA +MJ096432 Sirochlorin C42H46N4O16 862.290881 NA MeJP NA NA +MetaCyc04204 sirohydrochlorin [Precorrin;] C42H46N4O16 862.290881 65207-12-7 metacyc NA NA +C05778 Sirohydrochlorin C42H46N4O16 862.2909 NA KEGG NA NA +C05779 Apoferritin C42H46N4O16 862.2909 NA KEGG NA NA +C05780 Apotransferrin C42H46N4O16 862.2909 NA KEGG NA NA +C05781 Oxyhemoglobin C42H46N4O16 862.2909 NA KEGG NA NA +C05782 Myoglobin C42H46N4O16 862.2909 NA KEGG NA NA +C05783 Cytochrome a C42H46N4O16 862.2909 NA KEGG NA NA +C05784 Catalase C42H46N4O16 862.2909 NA KEGG NA NA +C05785 Peroxidase C42H46N4O16 862.2909 NA KEGG NA NA +PJ057346 SSCDEHW C35H46N10O14S 862.2916 NA PeJP NA NA +PJ057347 SPCCMHW C36H50N10O9S3 862.2925 NA PeJP NA NA +PJ057348 SSSSDDEH C31H46N10O19 862.2941 NA PeJP NA NA +PJ057349 SNDEMMH C32H50N10O14S2 862.295 NA PeJP NA NA +PJ057350 CNDYYW C40H46N8O12S 862.2956 NA PeJP NA NA +PJ057351 GCCMMRY C33H54N10O9S4 862.2958 NA PeJP NA NA +PJ057352 GGPCMMMH C33H54N10O9S4 862.2959 NA PeJP NA NA +PJ057353 SPDDDEW C36H46N8O17 862.2981 NA PeJP NA NA +PJ057354 GCNNNNNN C29H46N14O15S 862.2988 NA PeJP NA NA +PJ057355 GGGGGGGGGGGCN C29H46N14O15S 862.2989 NA PeJP NA NA +PJ057356 SSSCMYW C37H50N8O12S2 862.299 NA PeJP NA NA +PJ057357 CCCNQHR C30H50N14O10S3 862.2997 NA PeJP NA NA +PJ057358 SSSSSDMY C33H50N8O17S 862.3015 NA PeJP NA NA +PJ057359 SSNMMMY C34H54N8O12S3 862.3024 NA PeJP NA NA +PJ057360 CNNNDHF C34H46N12O13S 862.3028 NA PeJP NA NA +PJ057361 GGGGCNDHF C34H46N12O13S 862.3029 NA PeJP NA NA +PJ057362 NNDDDDR C30H46N12O18 862.3053 NA PeJP NA NA +PJ057363 GGNDDDDR C30H46N12O18 862.3054 NA PeJP NA NA +PJ057364 EEEMYY C38H50N6O15S 862.3055 NA PeJP NA NA +PJ057365 SCDDMHR C31H50N12O13S2 862.3062 NA PeJP NA NA +PJ057366 GNNDEEW C35H46N10O16 862.3094 NA PeJP NA NA +PJ057367 GSDMMHW C36H50N10O11S2 862.3102 NA PeJP NA NA +PJ057368 PDDDDMR C32H50N10O16S 862.3127 NA PeJP NA NA +PJ057369 GGGGGSPDEM C32H50N10O16S 862.3128 NA PeJP NA NA +PJ057370 STCCMRY C33H54N10O11S3 862.3136 NA PeJP NA NA +PJ057371 SCNEHHH C33H46N14O12S 862.3141 NA PeJP NA NA +PJ057372 CNMFYW C41H50N8O9S2 862.3142 NA PeJP NA NA +PJ057373 GGCMFYW C41H50N8O9S2 862.3143 NA PeJP NA NA +PJ057374 GSNEMYY C37H50N8O14S 862.3167 NA PeJP NA NA +MJ096433 Phallisacin C37H50N8O14S 862.316719 NA MeJP NA NA +PJ057375 GPDEEMW C37H50N8O14S 862.3168 NA PeJP NA NA +PJ057376 GSSCCNHR C30H50N14O12S2 862.3174 NA PeJP NA NA +PJ057377 GGGSSCCHR C30H50N14O12S2 862.3175 NA PeJP NA NA +PJ057378 PCCCKFY C38H54N8O9S3 862.3176 NA PeJP NA NA +PJ057379 AQEEEEE C33H50N8O19 862.3193 NA PeJP NA NA +PJ057380 GSSSTMMY C34H54N8O14S2 862.3201 NA PeJP NA NA +PJ057381 SNNNNDW C34H46N12O15 862.3206 NA PeJP NA NA +PJ057382 GCKMMMY C35H58N8O9S4 862.321 NA PeJP NA NA +PJ057383 CNNQQQE C31H50N12O15S 862.3239 NA PeJP NA NA +PJ057384 GSPCNDDR C31H50N12O15S 862.324 NA PeJP NA NA +PJ057385 NNDEWW C39H46N10O13 862.3246 NA PeJP NA NA +PJ057386 GCEMMHR C32H54N12O10S3 862.3248 NA PeJP NA NA +PJ057387 GGAPPCCCR C32H54N12O10S3 862.3249 NA PeJP NA NA +PJ057388 TCMHWW C40H50N10O8S2 862.3255 NA PeJP NA NA +PJ057389 SSSEMHW C36H50N10O13S 862.328 NA PeJP NA NA +PJ057390 QMMMHW C37H54N10O8S3 862.3289 NA PeJP NA NA +PJ057391 GSCHHHW C37H46N14O9S 862.3293 NA PeJP NA NA +PJ057392 GDEEEER C32H50N10O18 862.3305 NA PeJP NA NA +PJ057393 STQEMMH C33H54N10O13S2 862.3314 NA PeJP NA NA +PJ057394 GSSSDHHH C33H46N14O14 862.3318 NA PeJP NA NA +PJ057395 PDEMWW C41H50N8O11S 862.332 NA PeJP NA NA +PJ057396 GNMMHHH C34H50N14O9S2 862.3327 NA PeJP NA NA +PJ057397 AAEEEEW C37H50N8O16 862.3345 NA PeJP NA NA +PJ057398 CNNNNER C30H50N14O14S 862.3352 NA PeJP NA NA +PJ057399 SPPDMMW C38H54N8O11S2 862.3354 NA PeJP NA NA +PJ057400 GPDDHHW C38H46N12O12 862.3359 NA PeJP NA NA +PJ057401 CCCNKHR C31H54N14O9S3 862.3361 NA PeJP NA NA +PJ057402 SSSSTTMY C34H54N8O16S 862.3379 NA PeJP NA NA +PJ057403 PEEYYY C42H50N6O14 862.3385 NA PeJP NA NA +PJ057404 STCKMMY C35H58N8O11S3 862.3387 NA PeJP NA NA +PJ057405 PPQEMMM C35H58N8O11S3 862.3388 NA PeJP NA NA +PJ057406 GNNNQMW C35H50N12O12S 862.3392 NA PeJP NA NA +PJ057407 GGGGGGGGAMW C35H50N12O12S 862.3393 NA PeJP NA NA +PJ057408 GNDWWW C43H46N10O10 862.3399 NA PeJP NA NA +PJ057409 CMMHRW C36H54N12O7S3 862.3401 NA PeJP NA NA +MJ096434 Bimosiamose C46H54O16 862.341185 NA MeJP NA NA +MJ096435 Tetraflavaspidic acid C46H54O16 862.341185 NA MeJP NA NA +PJ057410 SNNDEER C31H50N12O17 862.3417 NA PeJP NA NA +PJ057411 GGGGGGGGGTTE C31H50N12O17 862.3418 NA PeJP NA NA +PJ057412 SSDMMHR C32H54N12O12S2 862.3426 NA PeJP NA NA +PJ057413 NNNNNHH C32H46N16O13 862.3431 NA PeJP NA NA +PJ057414 GSPCQWW C40H50N10O10S 862.3432 NA PeJP NA NA +PJ057415 GGGPTCWW C40H50N10O10S 862.3433 NA PeJP NA NA +PJ057416 ACCHHHR C33H50N16O8S2 862.3439 NA PeJP NA NA +PJ057417 GSQQEEW C36H50N10O15 862.3457 NA PeJP NA NA +PJ057418 DEEERW C36H50N10O15 862.3458 NA PeJP NA NA +PJ057419 GTTMMHW C37H54N10O10S2 862.3466 NA PeJP NA NA +PJ057420 GNDHHHF C37H46N14O11 862.3471 NA PeJP NA NA +PJ057421 CNFFFW C45H50N8O8S 862.3473 NA PeJP NA NA +PJ057422 SPDEEMR C33H54N10O15S 862.3491 NA PeJP NA NA +PJ057423 SSSSFYW C41H50N8O13 862.3497 NA PeJP NA NA +PJ057424 VDEEWW C41H50N8O13 862.3498 NA PeJP NA NA +PJ057425 PPCEMMR C34H58N10O10S3 862.35 NA PeJP NA NA +PJ057426 GCNNNRW C34H50N14O11S 862.3505 NA PeJP NA NA +PJ057427 GSSNNNDR C30H50N14O16 862.353 NA PeJP NA NA +PJ057428 APTEEMW C38H54N8O13S 862.3531 NA PeJP NA NA +PJ057429 GGPPEEMF C38H54N8O13S 862.3532 NA PeJP NA NA +PJ057430 PCCNDRR C31H54N14O11S2 862.3538 NA PeJP NA NA +PJ057431 APPMMMW C39H58N8O8S3 862.354 NA PeJP NA NA +PJ057432 CDHFRW C39H50N12O9S 862.3545 NA PeJP NA NA +PJ057433 AKEEEEE C34H54N8O18 862.3556 NA PeJP NA NA +PJ057434 GGTLEEEE C34H54N8O18 862.3557 NA PeJP NA NA +PJ057435 PVQEEMM C35H58N8O13S2 862.3565 NA PeJP NA NA +PJ057436 GSNDERW C35H50N12O14 862.357 NA PeJP NA NA +PJ057437 APCCQRW C36H54N12O9S2 862.3578 NA PeJP NA NA +PJ057438 GPCNMRW C36H54N12O9S2 862.3579 NA PeJP NA NA +PJ057439 GMHFWW C44H50N10O7S 862.3585 NA PeJP NA NA +PJ057440 ACQQEER C32H54N12O14S 862.3603 NA PeJP NA NA +PJ057441 GNQEEMR C32H54N12O14S 862.3604 NA PeJP NA NA +PJ057442 SQQEWW C40H50N10O12 862.361 NA PeJP NA NA +PJ057443 GTMMMHR C33H58N12O9S3 862.3612 NA PeJP NA NA +PJ057444 SSCHHHR C33H50N16O10S 862.3617 NA PeJP NA NA +C12411 Urdamycin F C43H58O18 862.3623 NA KEGG NA NA +MJ096436 Urdamycin A; 5,6-Dihydro, 6?-hydroxy C43H58O18 862.362315 NA MeJP NA NA +PJ057445 STTTMHW C37H54N10O12S 862.3644 NA PeJP NA NA +PJ057446 PPDYWW C45H50N8O10 862.365 NA PeJP NA NA +PJ057447 KMMMHW C38H58N10O7S3 862.3652 NA PeJP NA NA +PJ057448 ATEEEER C33H54N10O17 862.3669 NA PeJP NA NA +PJ057449 APEEMMR C34H58N10O12S2 862.3677 NA PeJP NA NA +PJ057450 PVDDMMR C34H58N10O12S2 862.3678 NA PeJP NA NA +PJ057451 SPDDHHR C34H50N14O13 862.3682 NA PeJP NA NA +PJ057452 GGGGGGGGGPPH C34H50N14O13 862.3683 NA PeJP NA NA +PJ057453 TCKYYW C42H54N8O10S 862.3684 NA PeJP NA NA +PJ057454 ACKMHHH C35H54N14O8S2 862.3691 NA PeJP NA NA +PJ057455 GTLEEEW C38H54N8O15 862.3709 NA PeJP NA NA +PJ057456 GNDDMRR C31H54N14O13S 862.3716 NA PeJP NA NA +PJ057457 GPLEMMW C39H58N8O10S2 862.3718 NA PeJP NA NA +PJ057458 SNDRWW C39H50N12O11 862.3722 NA PeJP NA NA +PJ057459 GGGGGQHFF C39H50N12O11 862.3723 NA PeJP NA NA +PJ057460 PTKEEEM C35H58N8O15S 862.3743 NA PeJP NA NA +PJ057461 LEEFYY C43H54N6O13 862.3749 NA PeJP NA NA +PJ057462 PPKEMMM C36H62N8O10S3 862.3751 NA PeJP NA NA +PJ057463 NQEMRW C36H54N12O11S 862.3756 NA PeJP NA NA +PJ057464 GTQWWW C44H50N10O9 862.3763 NA PeJP NA NA +PJ057465 SSQQEER C32H54N12O16 862.3781 NA PeJP NA NA +PJ057466 STTMMHR C33H58N12O11S2 862.379 NA PeJP NA NA +PJ057467 GNNEHHR C33H50N16O12 862.3794 NA PeJP NA NA +PJ057468 GGGNEHHR C33H50N16O12 862.3795 NA PeJP NA NA +PJ057469 VNQMWW C41H54N10O9S 862.3796 NA PeJP NA NA +PJ057470 GSQKEEW C37H54N10O14 862.3821 NA PeJP NA NA +PJ057471 GGGGGGPLEY C37H54N10O14 862.3822 NA PeJP NA NA +PJ057472 SCNNNRR C30H54N16O12S 862.3828 NA PeJP NA NA +PJ057473 GPNKMMW C38H58N10O9S2 862.383 NA PeJP NA NA +PJ057474 QQQHHW C38H50N14O10 862.3835 NA PeJP NA NA +PJ057475 PPMFWW C46H54N8O7S 862.3837 NA PeJP NA NA +PJ057476 GLEEEMR C34H58N10O14S 862.3855 NA PeJP NA NA +PJ057477 SPPTEFW C42H54N8O12 862.3861 NA PeJP NA NA +PJ057478 TLEEWW C42H54N8O12 862.3862 NA PeJP NA NA +PJ057479 PPTMMMR C35H62N10O9S3 862.3864 NA PeJP NA NA +PJ057480 CNERRW C35H54N14O10S 862.3868 NA PeJP NA NA +PJ057481 GGCERRW C35H54N14O10S 862.3869 NA PeJP NA NA +PJ057482 PLMMWW C43H58N8O7S2 862.387 NA PeJP NA NA +PJ057483 PTHHWW C43H50N12O8 862.3875 NA PeJP NA NA +PJ057484 SSNDERR C31H54N14O15 862.3893 NA PeJP NA NA +PJ057485 GGSSDERR C31H54N14O15 862.3894 NA PeJP NA NA +PJ057486 GVLEEMW C39H58N8O12S 862.3895 NA PeJP NA NA +PJ057487 SPCNMRR C32H58N14O10S2 862.3902 NA PeJP NA NA +PJ057488 GQMRWW C40H54N12O8S 862.3909 NA PeJP NA NA +PJ057489 SLKEEEE C35H58N8O17 862.392 NA PeJP NA NA +PJ057490 PVKEEMM C36H62N8O12S2 862.3929 NA PeJP NA NA +PJ057491 STNNNKW C36H54N12O13 862.3933 NA PeJP NA NA +PJ057492 GSTQERW C36H54N12O13 862.3934 NA PeJP NA NA +PJ057493 APCCKRW C37H58N12O8S2 862.3942 NA PeJP NA NA +PJ057494 NNHHRW C37H50N16O9 862.3947 NA PeJP NA NA +PJ057495 GNKEEMR C33H58N12O13S 862.3967 NA PeJP NA NA +PJ057496 GGGKEEMR C33H58N12O13S 862.3968 NA PeJP NA NA +PJ057497 SQKEWW C41H54N10O11 862.3974 NA PeJP NA NA +PJ057498 ASLQQMW C38H58N10O11S 862.4007 NA PeJP NA NA +PJ057499 LEEMRW C38H58N10O11S 862.4008 NA PeJP NA NA +PJ057500 PVEFWW C46H54N8O9 862.4014 NA PeJP NA NA +PJ057501 GCRRWW C39H54N14O7S 862.4021 NA PeJP NA NA +PJ057502 TTTTTTTH C34H58N10O16 862.4032 NA PeJP NA NA +PJ057503 STLEEER C34H58N10O16 862.4033 NA PeJP NA NA +PJ057504 SPLEMMR C35H62N10O11S2 862.4041 NA PeJP NA NA +PJ057505 GGGGGALLMM C35H62N10O11S2 862.4042 NA PeJP NA NA +PJ057506 GSSDRRW C35H54N14O12 862.4046 NA PeJP NA NA +PJ057507 VLEMWW C43H58N8O9S 862.4048 NA PeJP NA NA +PJ057508 SSLLEEW C39H58N8O14 862.4073 NA PeJP NA NA +PJ057509 GSQEMRR C32H58N14O12S 862.408 NA PeJP NA NA +PJ057510 KKMMYY C40H62N8O9S2 862.4081 NA PeJP NA NA +PJ057511 SPVLMMW C40H62N8O9S2 862.4082 NA PeJP NA NA +PJ057512 STQRWW C40H54N12O10 862.4086 NA PeJP NA NA +PJ057513 SPTTCLLE C36H62N8O14S 862.4106 NA PeJP NA NA +PJ057514 VVKEEEM C36H62N8O14S 862.4107 NA PeJP NA NA +PJ057515 LLEYYY C44H58N6O12 862.4113 NA PeJP NA NA +PJ057516 PLLQMMM C37H66N8O9S3 862.4115 NA PeJP NA NA +PJ057517 NKEMRW C37H58N12O10S 862.412 NA PeJP NA NA +PJ057518 GTKWWW C45H54N10O8 862.4126 NA PeJP NA NA +PJ057519 GGLHFFW C45H54N10O8 862.4127 NA PeJP NA NA +PJ057520 SSQKEER C33H58N12O15 862.4145 NA PeJP NA NA +PJ057521 SPNKMMR C34H62N12O10S2 862.4154 NA PeJP NA NA +PJ057522 EEHHRR C34H54N16O11 862.4158 NA PeJP NA NA +PJ057523 GGGDKHHR C34H54N16O11 862.4159 NA PeJP NA NA +PJ057524 VNKMWW C42H58N10O8S 862.416 NA PeJP NA NA +PJ057525 GSKKEEW C38H58N10O13 862.4185 NA PeJP NA NA +PJ057526 GSCERRR C31H58N16O11S 862.4192 NA PeJP NA NA +PJ057527 APCKKMW C39H62N10O8S2 862.4194 NA PeJP NA NA +PJ057528 VEHHRW C39H54N14O9 862.4199 NA PeJP NA NA +PJ057529 SVLEEMR C35H62N10O13S 862.4219 NA PeJP NA NA +PJ057530 GPVLEYW C43H58N8O11 862.4225 NA PeJP NA NA +PJ057531 GGPPLEFF C43H58N8O11 862.4226 NA PeJP NA NA +PJ057532 PVVMMMR C36H66N10O8S3 862.4228 NA PeJP NA NA +PJ057533 SQMRRW C36H58N14O9S 862.4232 NA PeJP NA NA +PJ057534 VVHHWW C44H54N12O7 862.4239 NA PeJP NA NA +PJ057535 SSTQERR C32H58N14O14 862.4257 NA PeJP NA NA +MJ096437 Vioprolide A C40H62N8O11S 862.425875 NA MeJP NA NA +MJ096438 Vioprolide B C40H62N8O11S 862.425875 NA MeJP NA NA +PJ057536 ATLLEMW C40H62N8O11S 862.4259 NA PeJP NA NA +PJ057537 AAQMMRR C33H62N14O9S2 862.4266 NA PeJP NA NA +PJ057538 GSNHHRR C33H54N18O10 862.4271 NA PeJP NA NA +PJ057539 GKMRWW C41H58N12O7S 862.4273 NA PeJP NA NA +PJ057540 GTTTLLEE C36H62N8O16 862.4284 NA PeJP NA NA +PJ057541 VLLQEMM C37H66N8O11S2 862.4293 NA PeJP NA NA +PJ057542 ASSKERW C37H58N12O12 862.4297 NA PeJP NA NA +PJ057543 GSTKERW C37H58N12O12 862.4298 NA PeJP NA NA +PJ057544 APKHHHH C38H54N16O8 862.4311 NA PeJP NA NA +PJ057545 GDKKEMR C34H62N12O12S 862.4331 NA PeJP NA NA +PJ057546 SKKEWW C42H58N10O10 862.4338 NA PeJP NA NA +PJ057547 SCRRRW C35H58N16O8S 862.4345 NA PeJP NA NA +MJ096439 Bryostatin 1; O-De-Ac C45H66O16 862.435086 NA MeJP NA NA +PJ057548 SSSDRRR C31H58N16O13 862.437 NA PeJP NA NA +PJ057549 AAKKEMW C39H62N10O10S 862.4371 NA PeJP NA NA +PJ057550 GVDKKMW C39H62N10O10S 862.4372 NA PeJP NA NA +PJ057551 PVLYWW C47H58N8O8 862.4378 NA PeJP NA NA +PJ057552 TTQKKEE C35H62N10O15 862.4396 NA PeJP NA NA +PJ057553 SDKKKEE C35H62N10O15 862.4397 NA PeJP NA NA +PJ057554 ALLEMMR C36H66N10O10S2 862.4405 NA PeJP NA NA +PJ057555 GSTTRRW C36H58N14O11 862.441 NA PeJP NA NA +PJ057556 GPLLMFW C44H62N8O8S 862.4412 NA PeJP NA NA +MJ096440 N-Deacyltunicamycin; N4''-(3-Hydroxy-14-methylpentadecanoyl) C39H66N4O17 862.442296 NA MeJP NA NA +PJ057557 TTTLLEW C40H62N8O13 862.4437 NA PeJP NA NA +PJ057558 ATTQMRR C33H62N14O11S 862.4443 NA PeJP NA NA +PJ057559 GSKEMRR C33H62N14O11S 862.4444 NA PeJP NA NA +PJ057560 GLLLMMW C41H66N8O8S2 862.4445 NA PeJP NA NA +PJ057561 STKRWW C41H58N12O9 862.445 NA PeJP NA NA +PJ057562 TLLKEEM C37H66N8O13S 862.447 NA PeJP NA NA +PJ057563 PLLKMMM C38H70N8O8S3 862.4479 NA PeJP NA NA +PJ057564 DKKMRW C38H62N12O9S 862.4484 NA PeJP NA NA +PJ057565 VKHFFW C46H58N10O7 862.449 NA PeJP NA NA +MJ096441 Pregn-5-ene-3,11,12,14,20-pentol, 12,20-Dibenzoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-O-?-D-oleandropyranoside] C49H66O13 862.450342 NA MeJP NA NA +PJ057566 SSKKEER C34H62N12O14 862.4509 NA PeJP NA NA +PJ057567 AVQKMMR C35H66N12O9S2 862.4517 NA PeJP NA NA +PJ057568 GLQKMMR C35H66N12O9S2 862.4518 NA PeJP NA NA +PJ057569 NDFRRR C35H58N16O10 862.4522 NA PeJP NA NA +PJ057570 CLKKWW C43H62N10O7S 862.4524 NA PeJP NA NA +PJ057571 ATTKKEW C39H62N10O12 862.4549 NA PeJP NA NA +PJ057572 GSTMRRR C32H62N16O10S 862.4556 NA PeJP NA NA +PJ057573 AQFRRW C40H58N14O8 862.4562 NA PeJP NA NA +MJ096442 Furostane-2,3,5,6,22,26-hexol, 22-Me ether, 3-Ac, 2,26-di-O-?-D-glucopyranoside C42H70O18 862.456215 NA MeJP NA NA +PJ057574 GAAFRRW C40H58N14O8 862.4563 NA PeJP NA NA +PJ057575 TTLLEMR C36H66N10O12S 862.4583 NA PeJP NA NA +MJ096443 Neoviridogrisein II C44H62N8O10 862.45889 NA MeJP NA NA +PJ057576 APTLLYW C44H62N8O10 862.4589 NA PeJP NA NA +PJ057577 SKMRRW C37H62N14O8S 862.4596 NA PeJP NA NA +PJ057578 SSTKERR C33H62N14O13 862.4621 NA PeJP NA NA +PJ057579 STLLLMW C41H66N8O10S 862.4623 NA PeJP NA NA +PJ057580 AAKMMRR C34H66N14O8S2 862.463 NA PeJP NA NA +PJ057581 SSTTLLLE C37H66N8O15 862.4648 NA PeJP NA NA +PJ057582 VLLKEMM C38H70N8O10S2 862.4657 NA PeJP NA NA +PJ057583 SSSLKRW C38H62N12O11 862.4661 NA PeJP NA NA +PJ057584 GGGGALLRY C38H62N12O11 862.4662 NA PeJP NA NA +PJ057585 ATKKEMR C35H66N12O11S 862.4695 NA PeJP NA NA +PJ057586 AAPKKYW C43H62N10O9 862.4702 NA PeJP NA NA +MJ096444 Avermectin B1a; 22,23-Dihydro, 23S-hydroxy, 3',3''-di-O-de-Me C46H70O15 862.471471 NA MeJP NA NA +MJ096445 Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-3-O-acetyl-4-O-(2S-hydroxy-3S-methylpentanoyl)-?-L-arabinopyranoside] C46H70O15 862.471471 NA MeJP NA NA +PJ057587 SSTTRRR C32H62N16O12 862.4733 NA PeJP NA NA +PJ057588 GTLKKMW C40H66N10O9S 862.4735 NA PeJP NA NA +PJ057589 VLLFWW C48H62N8O7 862.4742 NA PeJP NA NA +PJ057590 TTKKKEE C36H66N10O14 862.476 NA PeJP NA NA +PJ057591 SLLLMMR C37H70N10O9S2 862.4769 NA PeJP NA NA +PJ057592 GSPKRRY C37H62N14O10 862.4774 NA PeJP NA NA +PJ057593 PTLLKEY C41H66N8O12 862.48 NA PeJP NA NA +PJ057594 GGVLLLEY C41H66N8O12 862.4801 NA PeJP NA NA +PJ057595 ATTKMRR C34H66N14O10S 862.4807 NA PeJP NA NA +PJ057596 GGSCKKKR C34H66N14O10S 862.4808 NA PeJP NA NA +PJ057597 VQKFRW C42H62N12O8 862.4814 NA PeJP NA NA +PJ057598 SSSLLLLM C38H70N8O12S 862.4834 NA PeJP NA NA +PJ057599 GPKKMFR C39H66N12O8S 862.4848 NA PeJP NA NA +PJ057600 TTTKKER C35H66N12O13 862.4873 NA PeJP NA NA +PJ057601 GLKKMMR C36H70N12O8S2 862.4881 NA PeJP NA NA +PJ057602 VNRRRY C36H62N16O9 862.4886 NA PeJP NA NA +PJ057603 STTLKKW C40H66N10O11 862.4913 NA PeJP NA NA +PJ057604 AKFRRW C41H62N14O7 862.4926 NA PeJP NA NA +PJ057605 SLKKKEM C37H70N10O11S 862.4947 NA PeJP NA NA +PJ057606 GVLLLYW C45H66N8O9 862.4953 NA PeJP NA NA +PJ057607 TTTTKRR C34H66N14O12 862.4985 NA PeJP NA NA +PJ057608 PVLLKMY C42H70N8O9S 862.4987 NA PeJP NA NA +PJ057609 GRRRRY C35H62N18O8 862.4998 NA PeJP NA NA +PJ057610 AAPHRRR C35H62N18O8 862.4999 NA PeJP NA NA +PJ057611 TTTTTLLL C38H70N8O14 862.5012 NA PeJP NA NA +PJ057612 APTKKRY C39H66N12O10 862.5025 NA PeJP NA NA +PJ057613 STLKKMR C36H70N12O10S 862.5059 NA PeJP NA NA +PJ057614 LLLRYW C44H66N10O8 862.5065 NA PeJP NA NA +PJ057615 AALKKFW C44H66N10O8 862.5066 NA PeJP NA NA +PJ057616 ALLLMFR C41H70N10O8S 862.5099 NA PeJP NA NA +PJ057617 SSSTLLKK C37H70N10O13 862.5124 NA PeJP NA NA +PJ057618 VVKKKMM C38H74N10O8S2 862.5133 NA PeJP NA NA +PJ057619 LQKRRY C38H66N14O9 862.5138 NA PeJP NA NA +MJ096446 Isopsychotridine A C55H62N10 862.515892 NA MeJP NA NA +MJ096447 Isopsychotridine E C55H62N10 862.515892 NA MeJP NA NA +MJ096448 Psychotridine C55H62N10 862.515892 NA MeJP NA NA +MJ096449 Quadrigemine I; Homologue (n = 4) C55H62N10 862.515892 NA MeJP NA NA +C09233 Psychotridine C55H62N10 862.5159 NA KEGG NA NA +PJ057620 VVLLKEY C42H70N8O11 862.5164 NA PeJP NA NA +PJ057621 PPPVVLLE C42H70N8O11 862.5165 NA PeJP NA NA +PJ057622 VKKFRW C43H66N12O7 862.5178 NA PeJP NA NA +PJ057623 GSSTKKKK C36H70N12O12 862.5237 NA PeJP NA NA +PJ057624 TKFRRR C37H66N16O8 862.525 NA PeJP NA NA +PJ057625 SVLLLRY C41H70N10O10 862.5277 NA PeJP NA NA +PJ057626 PVLLKFF C46H70N8O8 862.5317 NA PeJP NA NA +PJ057627 VLLLKMF C43H74N8O8S 862.5351 NA PeJP NA NA +PJ057628 GVLKKRY C40H70N12O9 862.5389 NA PeJP NA NA +PJ057629 TCKKKKK C37H74N12O9S 862.5423 NA PeJP NA NA +PJ057630 LKKRRY C39H70N14O8 862.5501 NA PeJP NA NA +PJ057631 PPPLKRR C39H70N14O8 862.5502 NA PeJP NA NA +PJ057632 TLLLLKY C43H74N8O10 862.5528 NA PeJP NA NA +HMDB09786 PI(16:0/20:2(11Z,14Z)) C45H83O13P 862.557129 NA HMDB2010 NA NA +HMDB09809 PI(18:0/18:2(9Z,12Z)) C45H83O13P 862.557129 NA HMDB2010 NA NA +HMDB09824 PI(18:1(11Z)/18:1(11Z)) C45H83O13P 862.557129 NA HMDB2010 NA NA +HMDB09825 PI(18:1(11Z)/18:1(9Z)) C45H83O13P 862.557129 NA HMDB2010 NA NA +HMDB09836 PI(18:1(9Z)/18:1(11Z)) C45H83O13P 862.557129 NA HMDB2010 NA NA +HMDB09837 PI(18:1(9Z)/18:1(9Z)) C45H83O13P 862.557129 NA HMDB2010 NA NA +HMDB09847 PI(18:2(9Z,12Z)/18:0) C45H83O13P 862.557129 NA HMDB2010 NA NA +HMDB09875 PI(20:2(11Z,14Z)/16:0) C45H83O13P 862.557129 NA HMDB2010 NA NA +PJ057633 ALLKKKY C42H74N10O9 862.5641 NA PeJP NA NA +PJ057634 VLLLLHR C41H74N12O8 862.5753 NA PeJP NA NA +PJ057635 PPVVLLLL C44H78N8O9 862.5892 NA PeJP NA NA +HMDB01072 Coenzyme Q10 C59H90O4 862.683899 NA HMDB2010 NA NA +HMDB02139 Ubisemiquinone C59H90O4 862.683899 NA HMDB2010 NA NA +HMDB01072 Coenzyme Q10 C59H90O4 862.6839 http://www.hmdb.ca/metabolites/HMDB01072 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01072 Coenzyme Q10 C59H90O4 862.6839 http://www.hmdb.ca/metabolites/HMDB01072 HMDB NA NA +HMDB02139 Ubisemiquinone C59H90O4 862.6839 http://www.hmdb.ca/metabolites/HMDB02139 HMDB NA NA +C11378 Ubiquinone-10 C59H90O4 862.6839 NA KEGG NA NA +HMDB01072 Coenzyme Q10 C59H90O4 862.6839 http://www.hmdb.ca/metabolites/HMDB01072 PFEM_hmdb_metabocards_blood NA blood +HMDB01072 Coenzyme Q10 C59H90O4 862.6839 HMDB01072 PFEM_hmdb_metabocards_official NA NA +HMDB02139 Ubisemiquinone C59H90O4 862.6839 HMDB02139 PFEM_hmdb_metabocards_official NA NA +MJ096450 Coenzyme Q; Coenzyme Q10 C59H90O4 862.683911 NA MeJP NA NA +MJ096451 Ubichromenol C59H90O4 862.683911 NA MeJP NA NA +MetaCyc04205 ubiquinone-10 [coenzyme-Q10;ubiquinone-10;coenzyme-Q10;ubiquinone(10);] C59H90O4 862.683911 1339-63-5 metacyc NA NA +MJ096452 20(29)-Lupen-3-ol, 3-Acetoxyhexacosanoyl C58H102O4 862.777811 NA MeJP NA NA +MJ096453 Glycerol trialkanoates (diacid, symmetrical); Glycerol 1,3-dioctadecanoate 2-hexadecanoate C55H106O6 862.798941 NA MeJP NA NA +HMDB05358 TG(16:0/16:0/20:0)[iso3] C55H106O6 862.79895 http://www.hmdb.ca/metabolites/HMDB05358 HMDB NA NA +HMDB05365 TG(16:0/18:0/18:0)[iso3] C55H106O6 862.79895 http://www.hmdb.ca/metabolites/HMDB05365 HMDB NA NA +HMDB05358 TG(16:0/16:0/20:0)[iso3] C55H106O6 862.79895 HMDB05358 PFEM_hmdb_metabocards_official NA NA +HMDB05365 TG(16:0/18:0/18:0)[iso3] C55H106O6 862.79895 HMDB05365 PFEM_hmdb_metabocards_official NA NA +HMDB05358 TG(16:0/16:0/20:0)[iso3] C55H106O6 862.79895 NA HMDB2010 NA NA +HMDB05365 TG(16:0/18:0/18:0)[iso3] C55H106O6 862.79895 NA HMDB2010 NA NA +C05271 trans-Hex-2-enoyl-CoA C27H44N7O17P3S 863.1727 NA KEGG NA NA +HMDB03944 trans-2-Hexenoyl-CoA C27H44N7O17P3S 863.172729 NA HMDB2010 NA NA +HMDB06522 trans-3-Hexenoyl-CoA C27H44N7O17P3S 863.172729 NA HMDB2010 NA NA +HMDB03944 trans-2-Hexenoyl-CoA C27H44N7O17P3S 863.17273 http://www.hmdb.ca/metabolites/HMDB03944 HMDB NA NA +HMDB06522 trans-3-Hexenoyl-CoA C27H44N7O17P3S 863.17273 http://www.hmdb.ca/metabolites/HMDB06522 HMDB NA NA +HMDB03944 trans-2-Hexenoyl-CoA C27H44N7O17P3S 863.17273 HMDB03944 PFEM_hmdb_metabocards_official NA NA +HMDB06522 trans-3-Hexenoyl-CoA C27H44N7O17P3S 863.17273 HMDB06522 PFEM_hmdb_metabocards_official NA NA +PJ057636 SCCCCCNE C27H45N9O13S5 863.1741 NA PeJP NA NA +PJ057637 GSCCCCCW C31H45N9O10S5 863.1893 NA PeJP NA NA +PJ057638 GSSSCCCCD C27H45N9O15S4 863.1918 NA PeJP NA NA +PJ057639 GCCCCNMM C28H49N9O10S6 863.1927 NA PeJP NA NA +PJ057640 ACCCCCCR C27H49N11O9S6 863.2039 NA PeJP NA NA +PJ057641 GCCCCNDF C31H45N9O12S4 863.2071 NA PeJP NA NA +PJ057642 SSCCCCQM C28H49N9O12S5 863.2105 NA PeJP NA NA +MJ096454 Isoquercitrin; 2''-O-?-D-Xylopyranosyl, 3'-O-[3-pyridinecarbonyl-(?6)-?-D-glucopyranoside] C38H41NO22 863.212022 NA MeJP NA NA +PJ057643 CCDDDMY C32H45N7O15S3 863.2136 NA PeJP NA NA +PJ057644 CCDMMMM C30H53N7O10S6 863.2178 NA PeJP NA NA +PJ057645 SSCCCCCR C27H49N11O11S5 863.2217 NA PeJP NA NA +FL7AACGA0008 Cyanidin 3-[6-(6-p-hydroxybenzoylglucosyl)-2-xylosylgalactoside] C39H43O22 863.22459 - knapsack NA NA +PJ057646 GSCCCNDY C31H45N9O14S3 863.2248 NA PeJP NA NA +PJ057647 GGGSCCCDY C31H45N9O14S3 863.2249 NA PeJP NA NA +PJ057648 GSSSSCCCM C28H49N9O14S4 863.2282 NA PeJP NA NA +PJ057649 ACCCCCKM C29H53N9O9S6 863.2291 NA PeJP NA NA +PJ057650 CCDDMMF C33H49N7O12S4 863.2322 NA PeJP NA NA +PJ057651 CCCMMHH C31H49N11O8S5 863.237 NA PeJP NA NA +PJ057652 CDDDEMH C31H45N9O16S2 863.2426 NA PeJP NA NA +PJ057653 CCCNQMY C32H49N9O11S4 863.2435 NA PeJP NA NA +PJ057654 SSSSSTCCC C28H49N9O16S3 863.246 NA PeJP NA NA +PJ057655 CCDDDFF C36H45N7O14S2 863.2466 NA PeJP NA NA +PJ057656 SSCCCCKM C29H53N9O11S5 863.2468 NA PeJP NA NA +PJ057657 GCCCNNNH C29H45N13O12S3 863.2473 NA PeJP NA NA +PJ057658 SCDDMMY C33H49N7O14S3 863.25 NA PeJP NA NA +PJ057659 CCCDHHF C34H45N11O10S3 863.2513 NA PeJP NA NA +PJ057660 GSCCNDEH C30H45N11O15S2 863.2538 NA PeJP NA NA +PJ057661 GGGSCCDEH C30H45N11O15S2 863.2539 NA PeJP NA NA +PJ057662 SCMMMMM C31H57N7O9S6 863.2542 NA PeJP NA NA +PJ057663 CCCCNRY C31H49N11O10S4 863.2547 NA PeJP NA NA +PJ057664 GPCNDDDE C31H45N9O18S 863.2604 NA PeJP NA NA +PJ057665 GSSCCNMY C32H49N9O13S3 863.2612 NA PeJP NA NA +PJ057666 GCDDEYY C36H45N7O16S 863.2644 NA PeJP NA NA +PJ057667 PCCCEFY C37H49N7O11S3 863.2653 NA PeJP NA NA +PJ057668 GCEMMMY C34H53N7O11S4 863.2686 NA PeJP NA NA +PJ057669 SCCNDHW C34H45N11O12S2 863.2691 NA PeJP NA NA +PJ057670 SSSCNDDH C30H45N11O17S 863.2716 NA PeJP NA NA +PJ057671 CNNDMMH C31H49N11O12S3 863.2725 NA PeJP NA NA +PJ057672 PCNDDDW C35H45N9O15S 863.2756 NA PeJP NA NA +PJ057673 CCCNQFF C36H49N9O10S3 863.2765 NA PeJP NA NA +PJ057674 NNDDEEE C31H45N9O20 863.2781 NA PeJP NA NA +PJ057675 SSSSCCQY C32H49N9O15S2 863.279 NA PeJP NA NA +PJ057676 CDDYYW C40H45N7O13S 863.2796 NA PeJP NA NA +PJ057677 CCCNKMY C33H53N9O10S4 863.2798 NA PeJP NA NA +PJ057678 GGCCCKMY C33H53N9O10S4 863.2799 NA PeJP NA NA +PJ057679 SSDDDYY C36H45N7O18 863.2821 NA PeJP NA NA +PJ057680 GCNNNNND C29H45N13O16S 863.2828 NA PeJP NA NA +PJ057681 GGGGGGGCNND C29H45N13O16S 863.2829 NA PeJP NA NA +PJ057682 SPCCEYY C37H49N7O13S2 863.283 NA PeJP NA NA +PJ057683 CCCNEHR C30H49N13O11S3 863.2837 NA PeJP NA NA +PJ057684 CMMMYW C38H53N7O8S4 863.2839 NA PeJP NA NA +PJ057685 PDDEEEM C33H49N7O18S 863.2855 NA PeJP NA NA +PJ057686 SSDMMMY C34H53N7O13S3 863.2864 NA PeJP NA NA +PJ057687 CNNDDHF C34H45N11O14S 863.2869 NA PeJP NA NA +PJ057688 VCCMMMF C35H57N7O8S5 863.2872 NA PeJP NA NA +PJ057689 ACMMMMF C35H57N7O8S5 863.2873 NA PeJP NA NA +PJ057690 GCCQMHW C35H49N11O9S3 863.2877 NA PeJP NA NA +PJ057691 NDDDDDR C30H45N11O19 863.2894 NA PeJP NA NA +PJ057692 GSSCNEMH C31H49N11O14S2 863.2902 NA PeJP NA NA +PJ057693 GGGGGGGPCDM C31H49N11O14S2 863.2903 NA PeJP NA NA +MJ096455 Antibiotic A 38533; Antibiotic A 38533B C39H45N9O12S 863.290838 NA MeJP NA NA +PJ057694 APCCCCKH C32H53N11O9S4 863.2911 NA PeJP NA NA +PJ057695 CCNNHHH C32H45N15O10S2 863.2916 NA PeJP NA NA +PJ057696 GNDDEEW C35H45N9O17 863.2934 NA PeJP NA NA +PJ057697 GCNNMYY C36H49N9O12S2 863.2942 NA PeJP NA NA +PJ057698 GSPPCCDW C36H49N9O12S2 863.2943 NA PeJP NA NA +PJ057699 GSSSSSSCY C32H49N9O17S 863.2967 NA PeJP NA NA +PJ057700 GSPNDDEM C32H49N9O17S 863.2968 NA PeJP NA NA +PJ057701 GSTCCCKY C33H53N9O12S3 863.2976 NA PeJP NA NA +PJ057702 SCDEHHH C33H45N13O13S 863.2981 NA PeJP NA NA +PJ057703 CDMFYW C41H49N7O10S2 863.2983 NA PeJP NA NA +PJ057704 GCCCHRW C34H49N13O8S3 863.299 NA PeJP NA NA +PJ057705 GSDEMYY C37H49N7O15S 863.3008 NA PeJP NA NA +PJ057706 GSSCCDHR C30H49N13O13S2 863.3015 NA PeJP NA NA +PJ057707 GPCMMYY C38H53N7O10S3 863.3016 NA PeJP NA NA +PJ057708 AEEEEEE C33H49N7O20 863.3033 NA PeJP NA NA +PJ057709 SNNNDDW C34H45N11O16 863.3046 NA PeJP NA NA +PJ057710 GTMMMMY C35H57N7O10S4 863.305 NA PeJP NA NA +PJ057711 SSCNMHW C35H49N11O11S2 863.3055 NA PeJP NA NA +PJ057712 GSPCDDDR C31H49N11O16S 863.308 NA PeJP NA NA +PJ057713 NDDEWW C39H45N9O14 863.3086 NA PeJP NA NA +PJ057714 SNNMMMH C32H53N11O11S3 863.3088 NA PeJP NA NA +PJ057715 GPPCCCER C32H53N11O11S3 863.3089 NA PeJP NA NA +PJ057716 SPNDDMW C36H49N9O14S 863.312 NA PeJP NA NA +PJ057717 EMMMHW C37H53N9O9S3 863.3129 NA PeJP NA NA +PJ057718 SNQEEEE C32H49N9O19 863.3145 NA PeJP NA NA +PJ057719 SSSSCCKY C33H53N9O14S2 863.3154 NA PeJP NA NA +PJ057720 SDMYYW C41H49N7O12S 863.316 NA PeJP NA NA +PJ057721 SPMMMMH C34H57N9O9S4 863.3162 NA PeJP NA NA +PJ057722 GDMMHHH C34H49N13O10S2 863.3167 NA PeJP NA NA +PJ057723 CMMFFW C42H53N7O7S3 863.3169 NA PeJP NA NA +PJ057724 SSSEEYY C37H49N7O17 863.3185 NA PeJP NA NA +PJ057725 CNNNDER C30H49N13O15S 863.3192 NA PeJP NA NA +PJ057726 GGGGGGGGGGGSM C30H49N13O15S 863.3193 NA PeJP NA NA +PJ057727 QEMMYY C38H53N7O12S2 863.3194 NA PeJP NA NA +PJ057728 SCCQMHR C31H53N13O10S3 863.3201 NA PeJP NA NA +PJ057729 ACCHHFF C39H49N11O8S2 863.3207 NA PeJP NA NA +PJ057730 PTEEEEM C34H53N7O17S 863.3219 NA PeJP NA NA +PJ057731 STTMMMY C35H57N7O12S3 863.3228 NA PeJP NA NA +PJ057732 GSSSTCHW C35H49N11O13S 863.3232 NA PeJP NA NA +PJ057733 GGGGGNEMW C35H49N11O13S 863.3233 NA PeJP NA NA +PJ057734 GDDWWW C43H45N9O11 863.3239 NA PeJP NA NA +PJ057735 PPCCCRW C36H53N11O8S3 863.3241 NA PeJP NA NA +PJ057736 SNDDEER C31H49N11O18 863.3257 NA PeJP NA NA +PJ057737 GGSDDEER C31H49N11O18 863.3258 NA PeJP NA NA +PJ057738 PCNDEMR C32H53N11O13S2 863.3266 NA PeJP NA NA +PJ057739 NNNNDHH C32H45N15O14 863.3271 NA PeJP NA NA +MJ096456 Antibiotic M 331 C40H49N9O11S 863.327224 NA MeJP NA NA +PJ057740 GSPCEWW C40H49N9O11S 863.3273 NA PeJP NA NA +PJ057741 GSSSSNYY C36H49N9O16 863.3297 NA PeJP NA NA +PJ057742 GSQEEEW C36H49N9O16 863.3298 NA PeJP NA NA +PJ057743 GPNEMMW C37H53N9O11S2 863.3306 NA PeJP NA NA +PJ057744 GDDHHHF C37H45N13O12 863.3311 NA PeJP NA NA +PJ057745 CDFFFW C45H49N7O9S 863.3313 NA PeJP NA NA +PJ057746 AQQEEEM C33H53N9O16S 863.3331 NA PeJP NA NA +PJ057747 GGGGVEEEM C33H53N9O16S 863.3332 NA PeJP NA NA +PJ057748 GSPDYYY C41H49N7O14 863.3338 NA PeJP NA NA +PJ057749 SVEMMMH C34H57N9O11S3 863.334 NA PeJP NA NA +PJ057750 GCNNDRW C34H49N13O12S 863.3345 NA PeJP NA NA +PJ057751 AMMYYW C42H53N7O9S2 863.3346 NA PeJP NA NA +PJ057752 GPCMFFY C42H53N7O9S2 863.3347 NA PeJP NA NA +PJ057753 GCHHHHH C35H45N17O8S 863.3358 NA PeJP NA NA +PJ057754 GSSNNDDR C30H49N13O17 863.337 NA PeJP NA NA +PJ057755 GTTEMYY C38H53N7O14S 863.3371 NA PeJP NA NA +PJ057756 PPDEEMF C38H53N7O14S 863.3372 NA PeJP NA NA +PJ057757 GSSSCMHR C31H53N13O12S2 863.3378 NA PeJP NA NA +PJ057758 PCCDDRR C31H53N13O12S2 863.3379 NA PeJP NA NA +PJ057759 AAMMMFY C39H57N7O9S3 863.338 NA PeJP NA NA +PJ057760 NNNMWW C39H49N11O10S 863.3385 NA PeJP NA NA +PJ057761 SLEEEEE C34H53N7O19 863.3397 NA PeJP NA NA +PJ057762 PVEEEMM C35H57N7O14S2 863.3405 NA PeJP NA NA +PJ057763 GSDDERW C35H49N11O15 863.341 NA PeJP NA NA +PJ057764 GPCDMRW C36H53N11O10S2 863.3419 NA PeJP NA NA +PJ057765 SPCWWW C44H49N9O8S 863.3425 NA PeJP NA NA +PJ057766 SNQQQEM C32H53N11O15S 863.3443 NA PeJP NA NA +PJ057767 GNEEEMR C32H53N11O15S 863.3444 NA PeJP NA NA +PJ057768 SQEEWW C40H49N9O13 863.345 NA PeJP NA NA +PJ057769 GPPTCCMR C33H57N11O10S3 863.3452 NA PeJP NA NA +PJ057770 PNMMWW C41H53N9O8S2 863.3459 NA PeJP NA NA +PJ057771 AAQEEMW C37H53N9O13S 863.3484 NA PeJP NA NA +PJ057772 GEFYYW C45H49N7O11 863.349 NA PeJP NA NA +PJ057773 PPCCKMW C38H57N9O8S3 863.3493 NA PeJP NA NA +PJ057774 GPCQHHW C38H49N13O9S 863.3497 NA PeJP NA NA +PJ057775 SNKEEEE C33H53N9O18 863.3509 NA PeJP NA NA +PJ057776 PNDKEMM C34H57N9O13S2 863.3518 NA PeJP NA NA +PJ057777 NNNNNQF C34H49N13O14 863.3522 NA PeJP NA NA +PJ057778 GGGGGGGGNQF C34H49N13O14 863.3523 NA PeJP NA NA +PJ057779 TTMYYW C42H53N7O11S 863.3524 NA PeJP NA NA +PJ057780 ALMMMMH C35H61N9O8S4 863.3526 NA PeJP NA NA +PJ057781 GCNMHFR C35H53N13O9S2 863.3531 NA PeJP NA NA +PJ057782 STTTEYY C38H53N7O16 863.3549 NA PeJP NA NA +PJ057783 GDDDMRR C31H53N13O14S 863.3556 NA PeJP NA NA +PJ057784 KEMMYY C39H57N7O11S2 863.3558 NA PeJP NA NA +PJ057785 GSSNQWW C39H49N11O12 863.3562 NA PeJP NA NA +PJ057786 SDDRWW C39H49N11O12 863.3563 NA PeJP NA NA +PJ057787 SCCKMHR C32H57N13O9S3 863.3565 NA PeJP NA NA +PJ057788 VVEEEEM C35H57N7O16S 863.3583 NA PeJP NA NA +PJ057789 NEEMRW C36H53N11O12S 863.3596 NA PeJP NA NA +PJ057790 GGGGGGGAPMF C36H53N11O12S 863.3597 NA PeJP NA NA +PJ057791 GTEWWW C44H49N9O10 863.3603 NA PeJP NA NA +PJ057792 PPCHHHH C37H49N15O8S 863.361 NA PeJP NA NA +PJ057793 SSQEEER C32H53N11O17 863.3621 NA PeJP NA NA +PJ057794 SPNEMMR C33H57N11O12S2 863.363 NA PeJP NA NA +PJ057795 GNDEHHR C33H49N15O13 863.3635 NA PeJP NA NA +PJ057796 VNEMWW C41H53N9O10S 863.3636 NA PeJP NA NA +PJ057797 GGVEMWW C41H53N9O10S 863.3637 NA PeJP NA NA +PJ057798 FYYWW C49H49N7O8 863.3643 NA PeJP NA NA +PJ057799 ATTQEEW C37H53N9O15 863.3661 NA PeJP NA NA +PJ057800 GSKEEEW C37H53N9O15 863.3662 NA PeJP NA NA +PJ057801 SCNNDRR C30H53N15O13S 863.3668 NA PeJP NA NA +PJ057802 GGGGSCDRR C30H53N15O13S 863.3669 NA PeJP NA NA +PJ057803 GPDKMMW C38H57N9O10S2 863.367 NA PeJP NA NA +PJ057804 QQEHHW C38H49N13O11 863.3675 NA PeJP NA NA +PJ057805 AMFFYW C46H53N7O8S 863.3677 NA PeJP NA NA +PJ057806 AQKEEEM C34H57N9O15S 863.3695 NA PeJP NA NA +PJ057807 ASPTYYY C42H53N7O13 863.3701 NA PeJP NA NA +PJ057808 VQEYYY C42H53N7O13 863.3702 NA PeJP NA NA +PJ057809 TTLMMMH C35H61N9O10S3 863.3704 NA PeJP NA NA +PJ057810 ASCNQRW C35H53N13O11S 863.3708 NA PeJP NA NA +PJ057811 CDERRW C35H53N13O11S 863.3709 NA PeJP NA NA +PJ057812 AAMMFFF C43H57N7O8S2 863.371 NA PeJP NA NA +PJ057813 NNHFFW C43H49N11O9 863.3715 NA PeJP NA NA +PJ057814 SSSNNNNK C31H53N13O16 863.3733 NA PeJP NA NA +PJ057815 SSDDERR C31H53N13O16 863.3734 NA PeJP NA NA +PJ057816 SSTLMYY C39H57N7O13S 863.3735 NA PeJP NA NA +PJ057817 SPCDMRR C32H57N13O11S2 863.3742 NA PeJP NA NA +PJ057818 GGGGGAAMMR C32H57N13O11S2 863.3743 NA PeJP NA NA +PJ057819 GEMRWW C40H53N11O9S 863.3749 NA PeJP NA NA +PJ057820 TWWWW C48H49N9O7 863.3755 NA PeJP NA NA +PJ057821 GSTEERW C36H53N11O14 863.3774 NA PeJP NA NA +PJ057822 APTCMRW C37H57N11O9S2 863.3782 NA PeJP NA NA +PJ057823 GSPMMRW C37H57N11O9S2 863.3783 NA PeJP NA NA +PJ057824 NDHHRW C37H49N15O10 863.3787 NA PeJP NA NA +PJ057825 GVMWWW C45H53N9O7S 863.3789 NA PeJP NA NA +PJ057826 SCLQEER C33H57N11O14S 863.3807 NA PeJP NA NA +PJ057827 GDKEEMR C33H57N11O14S 863.3808 NA PeJP NA NA +PJ057828 SKEEWW C41H53N9O12 863.3814 NA PeJP NA NA +PJ057829 APQMMMR C34H61N11O9S3 863.3816 NA PeJP NA NA +PJ057830 SPCQHHR C34H53N15O10S 863.3821 NA PeJP NA NA +PJ057831 LMMHFW C42H57N9O7S2 863.3823 NA PeJP NA NA +PJ057832 AQHHWW C42H49N13O8 863.3827 NA PeJP NA NA +PJ057833 GAAHHWW C42H49N13O8 863.3828 NA PeJP NA NA +PJ057834 AAKEEMW C38H57N9O12S 863.3848 NA PeJP NA NA +PJ057835 GLYYYW C46H53N7O10 863.3854 NA PeJP NA NA +PJ057836 GCNQMRR C31H57N15O10S2 863.3855 NA PeJP NA NA +PJ057837 GPCKHHW C39H53N13O8S 863.3861 NA PeJP NA NA +PJ057838 SDKKEEE C34H57N9O17 863.3873 NA PeJP NA NA +PJ057839 PTQKEMM C35H61N9O12S2 863.3881 NA PeJP NA NA +PJ057840 GAPTKEMM C35H61N9O12S2 863.3882 NA PeJP NA NA +PJ057841 SSSNQRW C35H53N13O13 863.3886 NA PeJP NA NA +PJ057842 GGGGGGGGGGKF C35H53N13O13 863.3887 NA PeJP NA NA +PJ057843 PKMYYY C43H57N7O10S 863.3888 NA PeJP NA NA +PJ057844 ACCKHFR C36H57N13O8S2 863.3895 NA PeJP NA NA +PJ057845 MRWWW C44H53N11O6S 863.3901 NA PeJP NA NA +PJ057846 PVVEEEY C39H57N7O15 863.3913 NA PeJP NA NA +PJ057847 GSEEMRR C32H57N13O13S 863.392 NA PeJP NA NA +PJ057848 PPLEMMF C40H61N7O10S2 863.3922 NA PeJP NA NA +PJ057849 STERWW C40H53N11O11 863.3926 NA PeJP NA NA +PJ057850 GGGGGVQFW C40H53N11O11 863.3927 NA PeJP NA NA +PJ057851 APCMMRR C33H61N13O8S3 863.3929 NA PeJP NA NA +PJ057852 TLLEEEM C36H61N7O15S 863.3947 NA PeJP NA NA +PJ057853 PLLEMMM C37H65N7O10S3 863.3955 NA PeJP NA NA +PJ057854 DKEMRW C37H57N11O11S 863.396 NA PeJP NA NA +PJ057855 SSLWWW C45H53N9O9 863.3967 NA PeJP NA NA +PJ057856 MHHHFR C38H53N15O7S 863.3974 NA PeJP NA NA +PJ057857 SSKEEER C33H57N11O16 863.3985 NA PeJP NA NA +PJ057858 GLQEMMR C34H61N11O11S2 863.3994 NA PeJP NA NA +PJ057859 ASQEHHR C34H53N15O12 863.3998 NA PeJP NA NA +PJ057860 GTQEHHR C34H53N15O12 863.3999 NA PeJP NA NA +PJ057861 VDKMWW C42H57N9O9S 863.4 NA PeJP NA NA +PJ057862 AFFFFW C50H53N7O7 863.4007 NA PeJP NA NA +PJ057863 ATTKEEW C38H57N9O14 863.4025 NA PeJP NA NA +PJ057864 GGGVVVDDF C38H57N9O14 863.4026 NA PeJP NA NA +PJ057865 SSNNMRR C31H57N15O12S 863.4032 NA PeJP NA NA +PJ057866 APTKMMW C39H61N9O9S2 863.4034 NA PeJP NA NA +PJ057867 NNQFRW C39H53N13O10 863.4039 NA PeJP NA NA +PJ057868 AKKEEEM C35H61N9O14S 863.4059 NA PeJP NA NA +PJ057869 VKEYYY C43H57N7O12 863.4065 NA PeJP NA NA +PJ057870 PPPVEYY C43H57N7O12 863.4066 NA PeJP NA NA +PJ057871 PVQKMMM C36H65N9O9S3 863.4068 NA PeJP NA NA +PJ057872 SEMRRW C36H57N13O10S 863.4072 NA PeJP NA NA +PJ057873 GGGTCKRW C36H57N13O10S 863.4073 NA PeJP NA NA +PJ057874 GPRYWW C44H53N11O8 863.4079 NA PeJP NA NA +PJ057875 SSTEERR C32H57N13O15 863.4097 NA PeJP NA NA +PJ057876 GGGSSSKER C32H57N13O15 863.4098 NA PeJP NA NA +PJ057877 PVLEEMF C40H61N7O12S 863.4099 NA PeJP NA NA +PJ057878 AAEMMRR C33H61N13O10S2 863.4106 NA PeJP NA NA +PJ057879 GSDHHRR C33H53N17O11 863.4111 NA PeJP NA NA +PJ057880 SVMRWW C41H57N11O8S 863.4113 NA PeJP NA NA +PJ057881 VLLEEMM C37H65N7O12S2 863.4133 NA PeJP NA NA +PJ057882 SSSLERW C37H57N11O13 863.4138 NA PeJP NA NA +PJ057883 LQMMRW C38H61N11O8S2 863.4146 NA PeJP NA NA +PJ057884 TQHHRW C38H53N15O9 863.4151 NA PeJP NA NA +PJ057885 ATKEEMR C34H61N11O13S 863.4171 NA PeJP NA NA +PJ057886 GGGATDKKM C34H61N11O13S 863.4172 NA PeJP NA NA +PJ057887 GTTTLWW C42H57N9O11 863.4178 NA PeJP NA NA +PJ057888 APKMMMR C35H65N11O8S3 863.418 NA PeJP NA NA +3809 NA LQSGDALRVPSGTTYY 863.41845 MH2+ Inhouse_peptide NA peptide +PJ057889 GVQMHHR C35H57N15O9S 863.4185 NA PeJP NA NA +PJ057890 AKHHWW C43H53N13O7 863.4191 NA PeJP NA NA +PJ057891 GSSSSQRR C31H57N15O14 863.421 NA PeJP NA NA +PJ057892 PTTTKMW C39H61N9O11S 863.4211 NA PeJP NA NA +PJ057893 GTLKEMW C39H61N9O11S 863.4212 NA PeJP NA NA +PJ057894 PKFFYY C47H57N7O9 863.4218 NA PeJP NA NA +PJ057895 DMMRRR C32H61N15O9S2 863.4219 NA PeJP NA NA +PJ057896 PCFRRW C40H57N13O7S 863.4225 NA PeJP NA NA +PJ057897 ATTTTLQE C35H61N9O16 863.4236 NA PeJP NA NA +PJ057898 TTKKEEE C35H61N9O16 863.4237 NA PeJP NA NA +PJ057899 PTKKEMM C36H65N9O11S2 863.4245 NA PeJP NA NA +PJ057900 SSSNKRW C36H57N13O12 863.425 NA PeJP NA NA +PJ057901 LKMFYY C44H61N7O9S 863.4252 NA PeJP NA NA +PJ057902 CLMRRW C37H61N13O7S2 863.4259 NA PeJP NA NA +PJ057903 PTLLEEY C40H61N7O14 863.4277 NA PeJP NA NA +PJ057904 ATTEMRR C33H61N13O12S 863.4284 NA PeJP NA NA +PJ057905 PPLLMMY C41H65N7O9S2 863.4286 NA PeJP NA NA +PJ057906 PDKRYW C41H57N11O10 863.429 NA PeJP NA NA +PJ057907 QMHHRR C34H57N17O8S 863.4297 NA PeJP NA NA +PJ057908 GTTLMRW C38H61N11O10S 863.4324 NA PeJP NA NA +PJ057909 PTKFWW C46H57N9O8 863.433 NA PeJP NA NA +PJ057910 GGVLFWW C46H57N9O8 863.4331 NA PeJP NA NA +PJ057911 TTTKEER C34H61N11O15 863.4349 NA PeJP NA NA +PJ057912 GLKEMMR C35H65N11O10S2 863.4358 NA PeJP NA NA +PJ057913 NQQRRY C35H57N15O11 863.4362 NA PeJP NA NA +PJ057914 GGGGAARRY C35H57N15O11 863.4363 NA PeJP NA NA +PJ057915 TLKMWW C43H61N9O8S 863.4364 NA PeJP NA NA +PJ057916 STTLKEW C39H61N9O13 863.4389 NA PeJP NA NA +PJ057917 SSCQKRR C32H61N15O11S 863.4396 NA PeJP NA NA +PJ057918 GVLKMMW C40H65N9O8S2 863.4398 NA PeJP NA NA +PJ057919 SPRRYW C40H57N13O9 863.4403 NA PeJP NA NA +PJ057920 CHHRRR C33H57N19O7S 863.441 NA PeJP NA NA +PJ057921 SLKKEEM C36H65N9O13S 863.4423 NA PeJP NA NA +PJ057922 PPVLEFY C44H61N7O11 863.4429 NA PeJP NA NA +PJ057923 PVKKMMM C37H69N9O8S3 863.4432 NA PeJP NA NA +PJ057924 GSCKKRW C37H61N13O9S 863.4436 NA PeJP NA NA +PJ057925 GLFRWW C45H57N11O7 863.4443 NA PeJP NA NA +PJ057926 TTTTERR C33H61N13O14 863.4461 NA PeJP NA NA +PJ057927 PVLLEMY C41H65N7O11S 863.4463 NA PeJP NA NA +PJ057928 GTLMMRR C34H65N13O9S2 863.447 NA PeJP NA NA +PJ057929 GTTHHRR C34H57N17O10 863.4475 NA PeJP NA NA +PJ057930 PKMFRW C42H61N11O7S 863.4477 NA PeJP NA NA +PJ057931 STTTLRW C38H61N11O12 863.4501 NA PeJP NA NA +PJ057932 GGSTTKKW C38H61N11O12 863.4502 NA PeJP NA NA +PJ057933 LKMMRW C39H65N11O7S2 863.451 NA PeJP NA NA +PJ057934 TKHHRW C39H57N15O8 863.4515 NA PeJP NA NA +PJ057935 STLKEMR C35H65N11O12S 863.4535 NA PeJP NA NA +PJ057936 GPTLKYW C43H61N9O10 863.4542 NA PeJP NA NA +PJ057937 APPMHRR C36H61N15O8S 863.4549 NA PeJP NA NA +PJ057938 GSSSSKRR C32H61N15O13 863.4574 NA PeJP NA NA +PJ057939 SSLLKMW C40H65N9O10S 863.4575 NA PeJP NA NA +PJ057940 GGPVLKMY C40H65N9O10S 863.4576 NA PeJP NA NA +PJ057941 LKFFFY C48H61N7O8 863.4582 NA PeJP NA NA +PJ057942 SSSTLLKE C36H65N9O15 863.46 NA PeJP NA NA +PJ057943 VVKKEMM C37H69N9O10S2 863.4609 NA PeJP NA NA +PJ057944 LQERRY C37H61N13O11 863.4614 NA PeJP NA NA +PJ057945 PPLLMFF C45H65N7O8S 863.4616 NA PeJP NA NA +PJ057946 VVLLEEY C41H65N7O13 863.4641 NA PeJP NA NA +PJ057947 STTLMRR C34H65N13O11S 863.4647 NA PeJP NA NA +PJ057948 GGSTKKMR C34H65N13O11S 863.4648 NA PeJP NA NA +PJ057949 PLLLMMF C42H69N7O8S2 863.4649 NA PeJP NA NA +PJ057950 VLQRYW C42H61N11O9 863.4654 NA PeJP NA NA +PJ057951 KMHHRR C35H61N17O7S 863.4661 NA PeJP NA NA +PJ057952 LLLLMMM C39H73N7O8S3 863.4683 NA PeJP NA NA +PJ057953 GSKKKMW C39H65N11O9S 863.4688 NA PeJP NA NA +PJ057954 VVKFWW C47H61N9O7 863.4694 NA PeJP NA NA +PJ057955 SSSTTLLR C35H65N11O14 863.4713 NA PeJP NA NA +PJ057956 SVLKMMR C36H69N11O9S2 863.4721 NA PeJP NA NA +PJ057957 TCLLKMR C36H69N11O9S2 863.4722 NA PeJP NA NA +PJ057958 VDRRRY C36H61N15O10 863.4726 NA PeJP NA NA +PJ057959 SPLKKEY C40H65N9O12 863.4753 NA PeJP NA NA +PJ057960 SSCKKRR C33H65N15O10S 863.476 NA PeJP NA NA +PJ057961 ALRRYW C41H61N13O8 863.4766 NA PeJP NA NA +PJ057962 GPVLHRW C41H61N13O8 863.4767 NA PeJP NA NA +PJ057963 GTTTLLKM C37H69N9O12S 863.4787 NA PeJP NA NA +PJ057964 PPVLLYY C45H65N7O10 863.4793 NA PeJP NA NA +PJ057965 AALMFRR C38H65N13O8S 863.48 NA PeJP NA NA +PJ057966 GSSTTKKR C34H65N13O13 863.4825 NA PeJP NA NA +PJ057967 VLLLEMF C42H69N7O10S 863.4827 NA PeJP NA NA +PJ057968 ACKKKMR C35H69N13O8S2 863.4834 NA PeJP NA NA +PJ057969 GPNKHRR C35H61N17O9 863.4839 NA PeJP NA NA +PJ057970 SSTKKKW C39H65N11O11 863.4865 NA PeJP NA NA +PJ057971 GGGAALKKY C39H65N11O11 863.4866 NA PeJP NA NA +PJ057972 PLHRRW C40H61N15O7 863.4879 NA PeJP NA NA +PJ057973 SDKKKKM C36H69N11O11S 863.4899 NA PeJP NA NA +PJ057974 AALLKYW C44H65N9O9 863.4906 NA PeJP NA NA +PJ057975 VMFRRR C37H65N15O7S 863.4913 NA PeJP NA NA +PJ057976 PVVKKMY C41H69N9O9S 863.4939 NA PeJP NA NA +PJ057977 STTTTLLK C37H69N9O14 863.4964 NA PeJP NA NA +PJ057978 TLLKKMM C38H73N9O9S2 863.4973 NA PeJP NA NA +PJ057979 LKERRY C38H65N13O10 863.4978 NA PeJP NA NA +PJ057980 TLLLLEY C42H69N7O12 863.5004 NA PeJP NA NA +PJ057981 SSKKKMR C35H69N13O10S 863.5011 NA PeJP NA NA +PJ057982 VLKRYW C43H65N11O8 863.5018 NA PeJP NA NA +PJ057983 GLLKMFR C40H69N11O8S 863.5052 NA PeJP NA NA +PJ057984 SSSSLKKK C36H69N11O13 863.5077 NA PeJP NA NA +PJ057985 AKKKKMM C37H73N11O8S2 863.5085 NA PeJP NA NA +PJ057986 TLRRRY C37H65N15O9 863.509 NA PeJP NA NA +PJ057987 ALLKKEY C41H69N9O11 863.5117 NA PeJP NA NA +PJ057988 PVLLLFY C46H69N7O9 863.5157 NA PeJP NA NA +PJ057989 VLLLLMY C43H73N7O9S 863.5191 NA PeJP NA NA +PJ057990 ATLLKRY C40H69N11O10 863.5229 NA PeJP NA NA +PJ057991 TTKKKKM C37H73N11O10S 863.5263 NA PeJP NA NA +PJ057992 PVVKKFF C45H69N9O8 863.527 NA PeJP NA NA +PJ057993 VVLKKMF C42H73N9O8S 863.5303 NA PeJP NA NA +PJ057994 AAKKKRY C39H69N13O9 863.5342 NA PeJP NA NA +PJ057995 KKKKFW C44H69N11O7 863.5382 NA PeJP NA NA +PJ057996 GLLLHRR C38H69N15O8 863.5454 NA PeJP NA NA +MJ096457 Curcacycline B C42H73N9O10 863.548039 NA MeJP NA NA +PJ057997 SLLLKKY C42H73N9O10 863.5481 NA PeJP NA NA +PJ057998 VLLLLFF C47H73N7O8 863.5521 NA PeJP NA NA +PJ057999 GLKKKKY C41H73N11O9 863.5593 NA PeJP NA NA +EUR1013 PC 38:7 [M-H+acetate]- C46H78NO8P 863.567607 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1013 PC 38:7 [M-H+acetate]- C46H78NO8P 863.567607 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1013 PC 38:7 [M-H+acetate]- C46H78NO8P 863.567607 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1013 PC 38:7 [M-H+acetate]- C46H78NO8P 863.567607 masses lipides attendues Inhousejuil11 NA NA +PJ058000 PPLLLRR C40H73N13O8 863.5706 NA PeJP NA NA +PJ058001 APPLLLLK C43H77N9O9 863.5845 NA PeJP NA NA +PJ058002 LLLLKKH C42H77N11O8 863.5957 NA PeJP NA NA +HMDB12316 3-O-Sulfogalactosylceramide (d18:1/22:0) C46H89NO11S 863.615662 NA HMDB2010 NA NA +HMDB08257 PC(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)) C50H90NO8P 863.640381 NA HMDB2010 NA NA +HMDB08286 PC(20:0/22:5(4Z,7Z,10Z,13Z,16Z)) C50H90NO8P 863.640381 NA HMDB2010 NA NA +HMDB08287 PC(20:0/22:5(7Z,10Z,13Z,16Z,19Z)) C50H90NO8P 863.640381 NA HMDB2010 NA NA +HMDB08318 PC(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)) C50H90NO8P 863.640381 NA HMDB2010 NA NA +HMDB08383 PC(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)) C50H90NO8P 863.640381 NA HMDB2010 NA NA +HMDB08415 PC(20:3(8Z,11Z,14Z)/22:2(13Z,16Z)) C50H90NO8P 863.640381 NA HMDB2010 NA NA +HMDB08447 PC(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)) C50H90NO8P 863.640381 NA HMDB2010 NA NA +HMDB08480 PC(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)) C50H90NO8P 863.640381 NA HMDB2010 NA NA +HMDB08512 PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:0) C50H90NO8P 863.640381 NA HMDB2010 NA NA +HMDB08544 PC(22:0/20:5(5Z,8Z,11Z,14Z,17Z)) C50H90NO8P 863.640381 NA HMDB2010 NA NA +HMDB08574 PC(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)) C50H90NO8P 863.640381 NA HMDB2010 NA NA +HMDB08575 PC(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)) C50H90NO8P 863.640381 NA HMDB2010 NA NA +HMDB08605 PC(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)) C50H90NO8P 863.640381 NA HMDB2010 NA NA +HMDB08606 PC(22:2(13Z,16Z)/20:3(8Z,11Z,14Z)) C50H90NO8P 863.640381 NA HMDB2010 NA NA +HMDB08636 PC(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)) C50H90NO8P 863.640381 NA HMDB2010 NA NA +HMDB08668 PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:0) C50H90NO8P 863.640381 NA HMDB2010 NA NA +HMDB08701 PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:0) C50H90NO8P 863.640381 NA HMDB2010 NA NA +HMDB08799 PC(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)) C50H90NO8P 863.640381 NA HMDB2010 NA NA +MJ096458 3-Glucosyl-2,4,4',6-tetrahydroxybenzophenone; 2'',3'',6''-Tri-O-galloyl C40H32O22 864.138522 NA MeJP NA NA +PJ058003 CCCCCCNN C26H44N10O11S6 864.1516 NA PeJP NA NA +PJ058004 SCCCCCDE C27H44N8O14S5 864.1581 NA PeJP NA NA +PJ058005 PCCCCCCM C28H48N8O9S7 864.159 NA PeJP NA NA +PJ058006 GCCCCDMM C28H48N8O11S6 864.1767 NA PeJP NA NA +MJ096459 3,3',4',5,7-Pentahydroxyflavan(2?7,4?6)-3,3',4',5,7-pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan C45H36O18 864.190164 NA MeJP NA NA +MJ096460 3,3',4',5,7-Pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan C45H36O18 864.190164 NA MeJP NA NA +MJ096461 3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan(2?7,4?8)-pentahydroxyflavan C45H36O18 864.190164 NA MeJP NA NA +MJ096462 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan C45H36O18 864.190164 NA MeJP NA NA +C17631 Cinnamtannin B1 C45H36O18 864.1902 NA KEGG NA NA +C17632 Cinnamtannin D1 C45H36O18 864.1902 NA KEGG NA NA +PJ058007 GCCCCDDF C31H44N8O13S4 864.1911 NA PeJP NA NA +PJ058008 SSCCCCEM C28H48N8O13S5 864.1945 NA PeJP NA NA +PJ058009 GCCCCCHH C29H44N12O9S5 864.1958 NA PeJP NA NA +PJ058010 GSCCCDDY C31H44N8O15S3 864.2089 NA PeJP NA NA +PJ058011 APCCCCCY C32H48N8O10S5 864.2097 NA PeJP NA NA +PJ058012 GSCCCMMM C29H52N8O10S6 864.2131 NA PeJP NA NA +PJ058013 PPCCCCCH C31H48N10O9S5 864.221 NA PeJP NA NA +MJ096463 3,4',5,7-Tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan, 3''''',5'''''-Dihydroxy, 4'''''-Me ether C46H40O17 864.226549 NA MeJP NA NA +PJ058014 CCCNEMY C32H48N8O12S4 864.2275 NA PeJP NA NA +PJ058015 SSTCCCMM C29H52N8O12S5 864.2309 NA PeJP NA NA +PJ058016 GCCCNNDH C29H44N12O13S3 864.2313 NA PeJP NA NA +PJ058017 GGGGGCCCDH C29H44N12O13S3 864.2314 NA PeJP NA NA +PJ058018 GSCCDDEH C30H44N10O16S2 864.2379 NA PeJP NA NA +PJ058019 CCCCDRY C31H48N10O11S4 864.2387 NA PeJP NA NA +PJ058020 GCCCMYW C36H48N8O9S4 864.2427 NA PeJP NA NA +PJ058021 GPCDDDDE C31H44N8O19S 864.2444 NA PeJP NA NA +PJ058022 GSSCCDMY C32H48N8O14S3 864.2452 NA PeJP NA NA +PJ058023 CCCQMMF C33H52N8O9S5 864.2461 NA PeJP NA NA +PJ058024 SCCDDHW C34H44N10O13S2 864.2531 NA PeJP NA NA +PJ058025 SSSCDDDH C30H44N10O18S 864.2556 NA PeJP NA NA +PJ058026 CNDDMMH C31H48N10O13S3 864.2565 NA PeJP NA NA +PJ058027 CCCCMFR C32H52N10O8S5 864.2574 NA PeJP NA NA +PJ058028 PCDDDDW C35H44N8O16S 864.2596 NA PeJP NA NA +PJ058029 STCCCYW C36H48N8O11S3 864.2605 NA PeJP NA NA +PJ058030 NDDDEEE C31H44N8O21 864.2621 NA PeJP NA NA +PJ058031 GGDDDEEE C31H44N8O21 864.2622 NA PeJP NA NA +PJ058032 SSSSCCEY C32H48N8O16S2 864.263 NA PeJP NA NA +PJ058033 SCCQMMY C33H52N8O11S4 864.2639 NA PeJP NA NA +PJ058034 GCNNNNDD C29H44N12O17S 864.2668 NA PeJP NA NA +PJ058035 GGGCNNNDD C29H44N12O17S 864.2669 NA PeJP NA NA +PJ058036 CCCDEHR C30H48N12O12S3 864.2677 NA PeJP NA NA +MJ096464 Oleoacteoside; Derhamnosyl C40H48O21 864.268808 NA MeJP NA NA +PJ058037 CNDDDHF C34H44N10O15S 864.2709 NA PeJP NA NA +PJ058038 GCCEMHW C35H48N10O10S3 864.2717 NA PeJP NA NA +PJ058039 DDDDDDR C30H44N10O20 864.2734 NA PeJP NA NA +PJ058040 GSSCDEMH C31H48N10O15S2 864.2742 NA PeJP NA NA +PJ058041 GGGPCNDDM C31H48N10O15S2 864.2743 NA PeJP NA NA +PJ058042 SCCCMRY C32H52N10O10S4 864.2751 NA PeJP NA NA +PJ058043 CCNDHHH C32H44N14O11S2 864.2756 NA PeJP NA NA +PJ058044 GCCCFFW C40H48N8O8S3 864.2758 NA PeJP NA NA +PJ058045 GDDDEEW C35H44N8O18 864.2774 NA PeJP NA NA +PJ058046 GCNDMYY C36H48N8O13S2 864.2783 NA PeJP NA NA +PJ058047 GSPDDDEM C32H48N8O18S 864.2808 NA PeJP NA NA +PJ058048 GSSSCMMY C33H52N8O13S3 864.2816 NA PeJP NA NA +PJ058049 CCCKMMF C34H56N8O8S5 864.2825 NA PeJP NA NA +MJ096465 Polyketomycin C44H48O18 864.284064 NA MeJP NA NA +PJ058050 SSSCCNQH C30H48N12O14S2 864.2855 NA PeJP NA NA +PJ058051 CCMHWW C39H48N10O7S3 864.287 NA PeJP NA NA +PJ058052 SNNDDDW C34H44N10O17 864.2886 NA PeJP NA NA +PJ058053 SSCDMHW C35H48N10O12S2 864.2895 NA PeJP NA NA +PJ058054 SSSSDDMH C31H48N10O17S 864.292 NA PeJP NA NA +PJ058055 DDDEWW C39H44N8O15 864.2926 NA PeJP NA NA +PJ058056 SNDMMMH C32H52N10O12S3 864.2929 NA PeJP NA NA +PJ058057 CCQYYW C40H48N8O10S2 864.2935 NA PeJP NA NA +PJ058058 SPDDDMW C36H48N8O15S 864.296 NA PeJP NA NA +PJ058059 PPCCEMW C37H52N8O10S3 864.2969 NA PeJP NA NA +PJ058060 SNEEEEE C32H48N8O20 864.2985 NA PeJP NA NA +PJ058061 SSSSTCMY C33H52N8O15S2 864.2994 NA PeJP NA NA +PJ058062 SCCKMMY C34H56N8O10S4 864.3002 NA PeJP NA NA +PJ058063 SPPPCCMM C34H56N8O10S4 864.3003 NA PeJP NA NA +PJ058064 CCNNQHF C34H48N12O11S2 864.3007 NA PeJP NA NA +PJ058065 GGGGGACCHF C34H48N12O11S2 864.3008 NA PeJP NA NA +PJ058066 CNNDDER C30H48N12O16S 864.3032 NA PeJP NA NA +PJ058067 GGGACDDDR C30H48N12O16S 864.3033 NA PeJP NA NA +PJ058068 EEMMYY C38H52N6O13S2 864.3034 NA PeJP NA NA +PJ058069 SCCEMHR C31H52N12O11S3 864.3041 NA PeJP NA NA +PJ058070 GPCCHYW C39H48N10O9S2 864.3047 NA PeJP NA NA +PJ058071 GPCCNWW C39H48N10O9S2 864.3048 NA PeJP NA NA +C02463 Precorrin 2 C42H48N4O16 864.3065 NA KEGG NA NA +MJ096466 Sirohydrochlorin C42H48N4O16 864.306531 NA MeJP NA NA +MetaCyc04206 precorrin-2 [dihydrosirohydrochlorin;] C42H48N4O16 864.306532 65207-12-7 metacyc NA NA +PJ058072 GCDQQEW C35H48N10O14S 864.3072 NA PeJP NA NA +PJ058073 GNNDEMW C35H48N10O14S 864.3073 NA PeJP NA NA +PJ058074 GTCMMHW C36H52N10O9S3 864.3081 NA PeJP NA NA +PJ058075 GSTNDDQE C31H48N10O19 864.3097 NA PeJP NA NA +PJ058076 SDDDEER C31H48N10O19 864.3098 NA PeJP NA NA +PJ058077 PCDDEMR C32H52N10O14S2 864.3106 NA PeJP NA NA +PJ058078 NNNDDHH C32H44N14O15 864.3111 NA PeJP NA NA +PJ058079 GSSCYYW C40H48N8O12S 864.3113 NA PeJP NA NA +PJ058080 GQMMMMH C33H56N10O9S4 864.3115 NA PeJP NA NA +PJ058081 SCNMHHH C33H48N14O10S2 864.312 NA PeJP NA NA +PJ058082 GSEEEEW C36H48N8O17 864.3138 NA PeJP NA NA +PJ058083 GSNMMYY C37H52N8O12S2 864.3146 NA PeJP NA NA +PJ058084 GPDEMMW C37H52N8O12S2 864.3147 NA PeJP NA NA +PJ058085 VNDEEEM C33H52N8O17S 864.3171 NA PeJP NA NA +PJ058086 AQEEEEM C33H52N8O17S 864.3172 NA PeJP NA NA +PJ058087 DEEFYY C41H48N6O15 864.3178 NA PeJP NA NA +PJ058088 GSPPDMMM C34H56N8O12S3 864.318 NA PeJP NA NA +PJ058089 GCNDDRW C34H48N12O13S 864.3185 NA PeJP NA NA +PJ058090 PCCCHFR C35H52N12O8S3 864.3194 NA PeJP NA NA +PJ058091 GSSNDDDR C30H48N12O18 864.321 NA PeJP NA NA +PJ058092 NNNNQMM C31H52N12O13S2 864.3218 NA PeJP NA NA +PJ058093 GSPCCNER C31H52N12O13S2 864.3219 NA PeJP NA NA +PJ058094 NNDMWW C39H48N10O11S 864.3225 NA PeJP NA NA +PJ058095 GCMMMHR C32H56N12O8S4 864.3227 NA PeJP NA NA +PJ058096 SSNNEEW C35H48N10O16 864.325 NA PeJP NA NA +PJ058097 SSSMMHW C36H52N10O11S2 864.3259 NA PeJP NA NA +PJ058098 GDEEEMR C32H52N10O16S 864.3284 NA PeJP NA NA +PJ058099 SEEEWW C40H48N8O14 864.329 NA PeJP NA NA +PJ058100 STQMMMH C33H56N10O11S3 864.3292 NA PeJP NA NA +PJ058101 GGTTMMMH C33H56N10O11S3 864.3293 NA PeJP NA NA +PJ058102 GSSTCHHH C33H48N14O12S 864.3297 NA PeJP NA NA +PJ058103 PDMMWW C41H52N8O9S2 864.3299 NA PeJP NA NA +PJ058104 AAEEEMW C37H52N8O14S 864.3324 NA PeJP NA NA +PJ058105 CNNNNMR C30H52N14O12S2 864.3331 NA PeJP NA NA +PJ058106 PPTCMMW C38H56N8O9S3 864.3333 NA PeJP NA NA +PJ058107 APCDHHW C38H48N12O10S 864.3337 NA PeJP NA NA +PJ058108 GPCEHHW C38H48N12O10S 864.3338 NA PeJP NA NA +PJ058109 SDKEEEE C33H52N8O19 864.3349 NA PeJP NA NA +PJ058110 PTQEEMM C34H56N8O14S2 864.3358 NA PeJP NA NA +PJ058111 GSSSNNNW C34H48N12O15 864.3362 NA PeJP NA NA +PJ058112 GGGGGSSSNW C34H48N12O15 864.3363 NA PeJP NA NA +PJ058113 PEMYYY C42H52N6O12S 864.3364 NA PeJP NA NA +PJ058114 PPQMMMM C35H60N8O9S4 864.3366 NA PeJP NA NA +PJ058115 GAPPMMMM C35H60N8O9S4 864.3367 NA PeJP NA NA +PJ058116 SPCCNRW C35H52N12O10S2 864.3371 NA PeJP NA NA +PJ058117 GCQWWW C43H48N10O8S 864.3378 NA PeJP NA NA +PJ058118 SNNDEMR C31H52N12O15S 864.3396 NA PeJP NA NA +PJ058119 GSSNEWW C39H48N10O13 864.3403 NA PeJP NA NA +PJ058120 STCMMHR C32H56N12O10S3 864.3405 NA PeJP NA NA +PJ058121 NMMHFW C40H52N10O8S2 864.3411 NA PeJP NA NA +PJ058122 DEEMRW C36H52N10O13S 864.3436 NA PeJP NA NA +PJ058123 GGGGATEMW C36H52N10O13S 864.3437 NA PeJP NA NA +PJ058124 PDDFWW C44H48N8O11 864.3443 NA PeJP NA NA +PJ058125 PCCKMHF C37H56N10O8S3 864.3445 NA PeJP NA NA +PJ058126 GCQHHHF C37H48N14O9S 864.345 NA PeJP NA NA +PJ058127 SSEEEER C32H52N10O18 864.3461 NA PeJP NA NA +PJ058128 GGGSSDKEE C32H52N10O18 864.3462 NA PeJP NA NA +PJ058129 SPDEMMR C33H56N10O13S2 864.347 NA PeJP NA NA +PJ058130 GDDEHHR C33H48N14O14 864.3475 NA PeJP NA NA +PJ058131 NQMFYY C41H52N8O11S 864.3476 NA PeJP NA NA +PJ058132 VDEMWW C41H52N8O11S 864.3477 NA PeJP NA NA +PJ058133 PPCMMMR C34H60N10O8S4 864.3479 NA PeJP NA NA +PJ058134 TCCKHHH C34H52N14O9S2 864.3484 NA PeJP NA NA +PJ058135 PCHHWW C42H48N12O7S 864.349 NA PeJP NA NA +PJ058136 GSSSTTYY C37H52N8O16 864.3501 NA PeJP NA NA +PJ058137 ATTEEEW C37H52N8O16 864.3502 NA PeJP NA NA +PJ058138 SCNDDRR C30H52N14O14S 864.3508 NA PeJP NA NA +PJ058139 GGSCDDRR C30H52N14O14S 864.3509 NA PeJP NA NA +PJ058140 APTEMMW C38H56N8O11S2 864.351 NA PeJP NA NA +PJ058141 GNNNNFW C38H48N12O12 864.3515 NA PeJP NA NA +PJ058142 PCCCQRR C31H56N14O9S3 864.3517 NA PeJP NA NA +PJ058143 AKEEEEM C34H56N8O16S 864.3535 NA PeJP NA NA +PJ058144 VEEYYY C42H52N6O14 864.3542 NA PeJP NA NA +PJ058145 PVQEMMM C35H60N8O11S3 864.3544 NA PeJP NA NA +PJ058146 GSNDMRW C35H52N12O12S 864.3549 NA PeJP NA NA +PJ058147 SSNWWW C43H48N10O10 864.3555 NA PeJP NA NA +PJ058148 GSSSNEER C31H52N12O17 864.3574 NA PeJP NA NA +PJ058149 GNQEMMR C32H56N12O12S2 864.3582 NA PeJP NA NA +PJ058150 GGGQEMMR C32H56N12O12S2 864.3583 NA PeJP NA NA +PJ058151 SQQMWW C40H52N10O10S 864.3589 NA PeJP NA NA +PJ058152 SSNDKEW C36H52N10O15 864.3614 NA PeJP NA NA +PJ058153 AAQQMMW C37H56N10O10S2 864.3623 NA PeJP NA NA +PJ058154 DDHHRW C37H48N14O11 864.3627 NA PeJP NA NA +PJ058155 GGGGGTHHW C37H48N14O11 864.3628 NA PeJP NA NA +PJ058156 ATEEEMR C33H56N10O15S 864.3648 NA PeJP NA NA +PJ058157 AAPEEYW C41H52N8O13 864.3654 NA PeJP NA NA +PJ058158 APEMMMR C34H60N10O10S3 864.3656 NA PeJP NA NA +PJ058159 GGGGPKMMM C34H60N10O10S3 864.3657 NA PeJP NA NA +PJ058160 SPCEHHR C34H52N14O11S 864.3661 NA PeJP NA NA +PJ058161 GPPMMFW C42H56N8O8S2 864.3663 NA PeJP NA NA +PJ058162 AEHHWW C42H48N12O9 864.3668 NA PeJP NA NA +PJ058163 SSSSNNNR C30H52N14O16 864.3686 NA PeJP NA NA +PJ058164 GTLEEMW C38H56N8O13S 864.3688 NA PeJP NA NA +PJ058165 PPYYYY C46H52N6O11 864.3694 NA PeJP NA NA +PJ058166 GCNEMRR C31H56N14O11S2 864.3695 NA PeJP NA NA +PJ058167 GPLMMMW C39H60N8O8S3 864.3697 NA PeJP NA NA +PJ058168 SCQRWW C39H52N12O9S 864.3701 NA PeJP NA NA +PJ058169 TTKEEEE C34H56N8O18 864.3713 NA PeJP NA NA +PJ058170 PTKEEMM C35H60N8O13S2 864.3722 NA PeJP NA NA +PJ058171 SSSNERW C35H52N12O14 864.3726 NA PeJP NA NA +PJ058172 GGGGGGGGVQY C35H52N12O14 864.3727 NA PeJP NA NA +PJ058173 LEMFYY C43H56N6O11S 864.3728 NA PeJP NA NA +PJ058174 PPKMMMM C36H64N8O8S4 864.373 NA PeJP NA NA +PJ058175 NQMMRW C36H56N12O9S2 864.3735 NA PeJP NA NA +PJ058176 SPNHHHH C36H48N16O10 864.374 NA PeJP NA NA +PJ058177 GCKWWW C44H52N10O7S 864.3742 NA PeJP NA NA +PJ058178 SSQQEMR C32H56N12O14S 864.376 NA PeJP NA NA +PJ058179 GSTTQWW C40H52N10O12 864.3766 NA PeJP NA NA +PJ058180 GSSDKWW C40H52N10O12 864.3767 NA PeJP NA NA +PJ058181 PCCQKMR C33H60N12O9S3 864.3769 NA PeJP NA NA +PJ058182 GNNMHHR C33H52N16O10S 864.3773 NA PeJP NA NA +PJ058183 GGGNMHHR C33H52N16O10S 864.3774 NA PeJP NA NA +MJ096467 Pergidin C38H57N8O13P 864.37827 NA MeJP NA NA +PJ058184 GSQKEMW C37H56N10O12S 864.38 NA PeJP NA NA +PJ058185 PVDYWW C45H52N8O10 864.3807 NA PeJP NA NA +PJ058186 GCKHHHF C38H52N14O8S 864.3814 NA PeJP NA NA +PJ058187 TTTEEER C33H56N10O17 864.3825 NA PeJP NA NA +PJ058188 GLEEMMR C34H60N10O12S2 864.3834 NA PeJP NA NA +PJ058189 GNNNQRY C34H52N14O13 864.3839 NA PeJP NA NA +PJ058190 TLEMWW C42H56N8O10S 864.384 NA PeJP NA NA +PJ058191 GPVEMFW C42H56N8O10S 864.3841 NA PeJP NA NA +PJ058192 CNMRRW C35H56N14O8S2 864.3847 NA PeJP NA NA +PJ058193 STTLEEW C38H56N8O15 864.3865 NA PeJP NA NA +PJ058194 APKEEEY C38H56N8O15 864.3866 NA PeJP NA NA +PJ058195 SSNDMRR C31H56N14O13S 864.3872 NA PeJP NA NA +PJ058196 GGGGGSSCKR C31H56N14O13S 864.3873 NA PeJP NA NA +MJ096468 3-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Benzyl glycoside, 4,6-O-benzylidene, tetrabenzyl C54H56O10 864.387348 NA MeJP NA NA +PJ058197 GVLEMMW C39H60N8O10S2 864.3874 NA PeJP NA NA +PJ058198 GSSSRWW C39H52N12O11 864.3879 NA PeJP NA NA +PJ058199 PCCCKRR C32H60N14O8S3 864.3881 NA PeJP NA NA +PJ058200 SLKEEEM C35H60N8O15S 864.3899 NA PeJP NA NA +PJ058201 PVKEMMM C36H64N8O10S3 864.3908 NA PeJP NA NA +PJ058202 ASSQMRW C36H56N12O11S 864.3912 NA PeJP NA NA +PJ058203 GSTQMRW C36H56N12O11S 864.3913 NA PeJP NA NA +PJ058204 AQQFWW C44H52N10O9 864.3919 NA PeJP NA NA +PJ058205 ASSSTQER C32H56N12O16 864.3937 NA PeJP NA NA +PJ058206 GSSSDKER C32H56N12O16 864.3938 NA PeJP NA NA +PJ058207 GNKEMMR C33H60N12O11S2 864.3946 NA PeJP NA NA +PJ058208 GGGGGACKKM C33H60N12O11S2 864.3947 NA PeJP NA NA +PJ058209 SSNQHHR C33H52N16O12 864.3951 NA PeJP NA NA +PJ058210 SQKMWW C41H56N10O9S 864.3953 NA PeJP NA NA +PJ058211 SSTQKEW C37H56N10O14 864.3978 NA PeJP NA NA +PJ058212 VVCCQKW C38H60N10O9S2 864.3986 NA PeJP NA NA +PJ058213 LEMMRW C38H60N10O9S2 864.3987 NA PeJP NA NA +PJ058214 TEHHRW C38H52N14O10 864.3991 NA PeJP NA NA +PJ058215 PVMFWW C46H56N8O7S 864.3993 NA PeJP NA NA +PJ058216 TTQQKEM C34H60N10O14S 864.4011 NA PeJP NA NA +PJ058217 STLEEMR C34H60N10O14S 864.4012 NA PeJP NA NA +PJ058218 GPTLEYW C42H56N8O12 864.4018 NA PeJP NA NA +PJ058219 SPLMMMR C35H64N10O9S3 864.402 NA PeJP NA NA +PJ058220 GSTCRRW C35H56N14O10S 864.4025 NA PeJP NA NA +PJ058221 VLMMWW C43H60N8O7S2 864.4027 NA PeJP NA NA +PJ058222 GNFRWW C43H52N12O8 864.4031 NA PeJP NA NA +PJ058223 GGGFRWW C43H52N12O8 864.4032 NA PeJP NA NA +PJ058224 GSSSSERR C31H56N14O15 864.405 NA PeJP NA NA +PJ058225 SSLLEMW C39H60N8O12S 864.4052 NA PeJP NA NA +PJ058226 PLFYYY C47H56N6O10 864.4058 NA PeJP NA NA +PJ058227 GSQMMRR C32H60N14O10S2 864.4059 NA PeJP NA NA +PJ058228 SCKRWW C40H56N12O8S 864.4065 NA PeJP NA NA +PJ058229 SSSTLLEE C35H60N8O17 864.4077 NA PeJP NA NA +PJ058230 VVKEEMM C36H64N8O12S2 864.4085 NA PeJP NA NA +PJ058231 GATLLEMM C36H64N8O12S2 864.4086 NA PeJP NA NA +PJ058232 SSSDKRW C36H56N12O13 864.409 NA PeJP NA NA +PJ058233 GGGGGGGGPPPV C36H56N12O13 864.4091 NA PeJP NA NA +PJ058234 LLMYYY C44H60N6O10S 864.4092 NA PeJP NA NA +PJ058235 NKMMRW C37H60N12O8S2 864.4099 NA PeJP NA NA +PJ058236 GLQHHHH C37H52N16O9 864.4104 NA PeJP NA NA +PJ058237 SSQKEMR C33H60N12O13S 864.4124 NA PeJP NA NA +PJ058238 GSTTKWW C41H56N10O11 864.413 NA PeJP NA NA +PJ058239 GGGGGVLYW C41H56N10O11 864.4131 NA PeJP NA NA +PJ058240 PCCKKMR C34H64N12O8S3 864.4133 NA PeJP NA NA +PJ058241 EMHHRR C34H56N16O9S 864.4137 NA PeJP NA NA +PJ058242 GSKKEMW C38H60N10O11S 864.4164 NA PeJP NA NA +PJ058243 PTLYWW C46H56N8O9 864.4171 NA PeJP NA NA +PJ058244 VMHHRW C39H56N14O7S 864.4178 NA PeJP NA NA +PJ058245 GSSTKKEE C34H60N10O16 864.4189 NA PeJP NA NA +PJ058246 SVLEMMR C35H64N10O11S2 864.4198 NA PeJP NA NA +7428 coeliac toxic peptide QQPFVQQQQPFVQQ 864.42 MH2+ Inhouse_peptide NA peptide +PJ058247 SSSSRRW C35H56N14O12 864.4202 NA PeJP NA NA +PJ058248 GGQERRY C35H56N14O12 864.4203 NA PeJP NA NA +PJ058249 GPVLMYW C43H60N8O9S 864.4204 NA PeJP NA NA +PJ058250 AAHHHHR C36H52N18O8 864.4216 NA PeJP NA NA +PJ058251 SPLKEEY C39H60N8O14 864.4229 NA PeJP NA NA +PJ058252 SSTQMRR C32H60N14O12S 864.4236 NA PeJP NA NA +PJ058253 ATLLMMW C40H64N8O9S2 864.4238 NA PeJP NA NA +PJ058254 VNQRYW C40H56N12O10 864.4243 NA PeJP NA NA +PJ058255 GTTTLLEM C36H64N8O14S 864.4263 NA PeJP NA NA +PJ058256 VLLQMMM C37H68N8O9S3 864.4272 NA PeJP NA NA +PJ058257 GSTKMRW C37H60N12O10S 864.4276 NA PeJP NA NA +PJ058258 GGGPKMRY C37H60N12O10S 864.4277 NA PeJP NA NA +PJ058259 AQKFWW C45H56N10O8 864.4283 NA PeJP NA NA +PJ058260 GSSTTKER C33H60N12O15 864.4301 NA PeJP NA NA +PJ058261 GGGGSSSTKK C33H60N12O15 864.4302 NA PeJP NA NA +MJ096469 Leurosinone C49H60N4O10 864.430944 NA MeJP NA NA +PJ058262 GDKKMMR C34H64N12O10S2 864.431 NA PeJP NA NA +PJ058263 GPNEHRR C34H56N16O11 864.4315 NA PeJP NA NA +PJ058264 SKKMWW C42H60N10O8S 864.4317 NA PeJP NA NA +PJ058265 SSTKKEW C38H60N10O13 864.4342 NA PeJP NA NA +PJ058266 SSTCRRR C31H60N16O11S 864.4349 NA PeJP NA NA +PJ058267 AAKKMMW C39H64N10O8S2 864.435 NA PeJP NA NA +PJ058268 GQRRYW C39H56N14O9 864.4355 NA PeJP NA NA +PJ058269 SDKKKEM C35H64N10O13S 864.4375 NA PeJP NA NA +MJ096470 Grividomycin I C43H60N8O11 864.438154 NA MeJP NA NA +MJ096471 Viridogrisein; C-De-Me (R =H) C43H60N8O11 864.438154 NA MeJP NA NA +MJ096472 Viridogrisein; N9-De-Me C43H60N8O11 864.438154 NA MeJP NA NA +PJ058270 AALLEYW C43H60N8O11 864.4382 NA PeJP NA NA +PJ058271 ALLMMMR C36H68N10O8S3 864.4384 NA PeJP NA NA +PJ058272 QQMFRR C36H60N14O9S 864.4389 NA PeJP NA NA +PJ058273 GSSTTTRR C32H60N14O14 864.4414 NA PeJP NA NA +PJ058274 TTTILMW C40H64N8O11S 864.4415 NA PeJP NA NA +PJ058275 TTTLLMW C40H64N8O11S 864.4416 NA PeJP NA NA +PJ058276 LLFFYY C48H60N6O9 864.4422 NA PeJP NA NA +PJ058277 GSKMMRR C33H64N14O9S2 864.4423 NA PeJP NA NA +PJ058278 KMHFFR C41H60N12O7S 864.4429 NA PeJP NA NA +PJ058279 STTTTLLE C36H64N8O16 864.444 NA PeJP NA NA +PJ058280 TTTTTLLD C36H64N8O16 864.4441 NA PeJP NA NA +PJ058281 TLLKEMM C37H68N8O11S2 864.4449 NA PeJP NA NA +PJ058282 SSTTKRW C37H60N12O12 864.4454 NA PeJP NA NA +PJ058283 PNHRRW C38H56N16O8 864.4467 NA PeJP NA NA +PJ058284 GGPHRRW C38H56N16O8 864.4468 NA PeJP NA NA +PJ058285 SSKKEMR C34H64N12O12S 864.4488 NA PeJP NA NA +PJ058286 VLERYW C42H60N10O10 864.4494 NA PeJP NA NA +PJ058287 CQFRRR C35H60N16O8S 864.4501 NA PeJP NA NA +MJ096473 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[3-O-Acetyl-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-3-O-acetyl-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C45H68O16 864.450736 NA MeJP NA NA +MJ096474 Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-3,4,6-tri-O-acetyl-?-D-galactopyranoside] C45H68O16 864.450736 NA MeJP NA NA +PJ058288 ATTKKMW C39H64N10O10S 864.4528 NA PeJP NA NA +PJ058289 VVLYWW C47H60N8O8 864.4534 NA PeJP NA NA +PJ058290 GPVLFFW C47H60N8O8 864.4535 NA PeJP NA NA +PJ058291 SSSSLKKE C35H64N10O15 864.4553 NA PeJP NA NA +PJ058292 TTLLMMR C36H68N10O10S2 864.4562 NA PeJP NA NA +PJ058293 NKERRY C36H60N14O11 864.4566 NA PeJP NA NA +PJ058294 GGPPPERR C36H60N14O11 864.4567 NA PeJP NA NA +PJ058295 GVLLMFW C44H64N8O8S 864.4568 NA PeJP NA NA +PJ058296 ALLKEEY C40H64N8O13 864.4593 NA PeJP NA NA +PJ058297 SSTKMRR C33H64N14O11S 864.46 NA PeJP NA NA +PJ058298 PVLKMMF C41H68N8O8S2 864.4602 NA PeJP NA NA +PJ058299 VNKRYW C41H60N12O9 864.4607 NA PeJP NA NA +PJ058300 SSTTLLLM C37H68N8O13S 864.4627 NA PeJP NA NA +PJ058301 VLLKMMM C38H72N8O8S3 864.4636 NA PeJP NA NA +PJ058302 APCKKRY C38H64N12O9S 864.464 NA PeJP NA NA +PJ058303 AKKFWW C46H60N10O7 864.4647 NA PeJP NA NA +PJ058304 SSSSTLKR C34H64N12O14 864.4665 NA PeJP NA NA +PJ058305 ATKKMMR C35H68N12O9S2 864.4674 NA PeJP NA NA +PJ058306 SQRRRY C35H60N16O10 864.4679 NA PeJP NA NA +PJ058307 LLMFRW C43H64N10O7S 864.4681 NA PeJP NA NA +PJ058308 TTTTKKW C39H64N10O12 864.4705 NA PeJP NA NA +PJ058309 VVVTERY C39H64N10O12 864.4706 NA PeJP NA NA +PJ058310 GKRRYW C40H60N14O8 864.4719 NA PeJP NA NA +PJ058311 TTKKKEM C36H68N10O12S 864.4739 NA PeJP NA NA +PJ058312 GTLLLYW C44H64N8O10 864.4746 NA PeJP NA NA +PJ058313 QKMFRR C37H64N14O8S 864.4753 NA PeJP NA NA +PJ058314 PTLLKMY C41H68N8O10S 864.4779 NA PeJP NA NA +PJ058315 GGVLLLMY C41H68N8O10S 864.478 NA PeJP NA NA +PJ058316 GSPHRRR C34H60N18O9 864.4791 NA PeJP NA NA +PJ058317 AAKKERY C38H64N12O11 864.4818 NA PeJP NA NA +PJ058318 LHHFRR C39H60N16O7 864.4831 NA PeJP NA NA +PJ058319 TTTKKMR C35H68N12O11S 864.4852 NA PeJP NA NA +PJ058320 LQKKYW C43H64N10O9 864.4858 NA PeJP NA NA +PJ058321 CKFRRR C36H64N16O7S 864.4865 NA PeJP NA NA +PJ058322 GLLLMRY C40H68N10O9S 864.4892 NA PeJP NA NA +PJ058323 SSTTTLKK C36H68N10O14 864.4917 NA PeJP NA NA +PJ058324 SLKKKMM C37H72N10O9S2 864.4926 NA PeJP NA NA +PJ058325 DKKRRY C37H64N14O10 864.493 NA PeJP NA NA +PJ058326 SLLLKEY C41H68N8O12 864.4957 NA PeJP NA NA +PJ058327 TKKFRW C42H64N12O8 864.497 NA PeJP NA NA +PJ058328 GPLKKHW C42H64N12O8 864.4971 NA PeJP NA NA +PJ058329 GVKKMFR C39H68N12O8S 864.5004 NA PeJP NA NA +PJ058330 CCKKKKK C36H72N12O8S2 864.5038 NA PeJP NA NA +PJ058331 SKRRRY C36H64N16O9 864.5043 NA PeJP NA NA +PJ058332 STLLLRY C40H68N10O11 864.5069 NA PeJP NA NA +PJ058333 GALLLLEH C40H68N10O11 864.507 NA PeJP NA NA +PJ058334 PVVLKFY C45H68N8O9 864.511 NA PeJP NA NA +PJ058335 KKMFRR C38H68N14O7S 864.5117 NA PeJP NA NA +PJ058336 VVLLKMY C42H72N8O9S 864.5143 NA PeJP NA NA +PJ058337 LQHRRR C35H64N18O8 864.5155 NA PeJP NA NA +PJ058338 GTLKKRY C39H68N12O10 864.5182 NA PeJP NA NA +PJ058339 LKKKYW C44H68N10O8 864.5222 NA PeJP NA NA +PJ058340 ALKKKMF C41H72N10O8S 864.5256 NA PeJP NA NA +PJ058341 PPVLQRR C38H68N14O9 864.5294 NA PeJP NA NA +PJ058342 APPLLLLE C42H72N8O11 864.5321 NA PeJP NA NA +MJ096475 Huratoxin; 12?-Acetoxy, 20-(5-pentadecenoyl) (E-) C51H76O11 864.538763 NA MeJP NA NA +PJ058343 AVVKHRR C37H68N16O8 864.5406 NA PeJP NA NA +PJ058344 APPLRRR C37H68N16O8 864.5407 NA PeJP NA NA +3231 bombolitin V from venom of bumble bee (Megabombus INVLGILGLLGKALSHL~ 864.54145 MH2+ Inhouse_peptide NA peptide +PJ058345 SVLKKKY C41H72N10O10 864.5433 NA PeJP NA NA +PJ058346 VVLLKFF C46H72N8O8 864.5473 NA PeJP NA NA +PJ058347 LKHRRR C36H68N18O7 864.5519 NA PeJP NA NA +PJ058348 TLLLLHR C40H72N12O9 864.5546 NA PeJP NA NA +PJ058349 PPVLKRR C39H72N14O8 864.5658 NA PeJP NA NA +PJ058350 SPPLLLLL C43H76N8O10 864.5685 NA PeJP NA NA +PJ058351 GPPLLLKK C42H76N10O9 864.5797 NA PeJP NA NA +MJ096476 Lutoside C45H84O15 864.581022 NA MeJP NA NA +PJ058352 VLLKKKH C41H76N12O8 864.591 NA PeJP NA NA +PJ058353 APLLLLLL C44H80N8O9 864.6049 NA PeJP NA NA +HMDB06288 all trans Decaprenyl diphosphate C50H90O7P2 864.61615 http://www.hmdb.ca/metabolites/HMDB06288 HMDB NA NA +HMDB06288 all trans Decaprenyl diphosphate C50H90O7P2 864.61615 HMDB06288 PFEM_hmdb_metabocards_official NA NA +HMDB06288 All trans decaprenyl diphosphate C50H90O7P2 864.61615 NA HMDB2010 NA NA +MJ096477 Coenzyme Q; Coenzyme Q10, 38',39'-Dihydro C59H92O4 864.699561 NA MeJP NA NA +MJ096478 20(29)-Lupen-3-ol, 3,5-Diacetoxydocosanoyl C56H96O6 864.72069 NA MeJP NA NA +MJ096479 Pseudoceratinine C C27H31Br4N7O6 864.906932 NA MeJP NA NA +5418 murine lactoferrin LFM EKCLRWQNEMRKVGG 864.94415 MH2+ Inhouse_peptide NA peptide +MJ096480 Geraniin; 1-O-Degalloyl, 1-O-(2-cyano-2-propenyl) C38H27NO23 865.097386 NA MeJP NA NA +PJ058354 CCCCCCND C26H43N9O12S6 865.1356 NA PeJP NA NA +HMDB01157 2-Methylacetoacetyl-CoA C26H42N7O18P3S 865.151978 NA HMDB2010 NA NA +HMDB01157 2-Methylacetoacetyl-CoA C26H42N7O18P3S 865.15198 http://www.hmdb.ca/metabolites/HMDB01157 HMDB NA NA +HMDB01157 2-Methylacetoacetyl-CoA C26H42N7O18P3S 865.15198 HMDB01157 PFEM_hmdb_metabocards_official NA NA +MJ096481 2-Methylacetoacetyl-CoA C26H42N7O18P3S 865.151987 NA MeJP NA NA +MetaCyc04207 2-methylacetoacetyl-CoA [2-methyl-3-acetoacetyl-CoA;2-methylacetoacetyl coenzyme A;] C26H42N7O18P3S1 865.151988 01/02/6712 metacyc NA NA +C03344 2-Methylacetoacetyl-CoA C26H42N7O18P3S 865.152 NA KEGG NA NA +MJ096482 UDP-N-acetylmuramoyl-L-alanyl-D-glutamate C27H41N5O23P2 865.166755 NA MeJP NA NA +PJ058355 SCCCCCNM C27H47N9O11S6 865.172 NA PeJP NA NA +HMDB02845 Hexanoyl-CoA C27H46N7O17P3S 865.18835 http://www.hmdb.ca/metabolites/HMDB02845 HMDB NA NA +HMDB02845 Hexanoyl-CoA C27H46N7O17P3S 865.18835 HMDB02845 PFEM_hmdb_metabocards_official NA NA +HMDB02845 Hexanoyl-CoA C27H46N7O17P3S 865.188354 NA HMDB2010 NA NA +C05270 Hexanoyl-CoA C27H46N7O17P3S 865.1884 NA KEGG NA NA +PJ058356 GSSTCCCCC C27H47N9O13S5 865.1897 NA PeJP NA NA +PJ058357 GCCCCCQF C31H47N9O10S5 865.205 NA PeJP NA NA +PJ058358 SSSSSCCCC C27H47N9O15S4 865.2075 NA PeJP NA NA +PJ058359 TCCCCCCK C28H51N9O10S6 865.2084 NA PeJP NA NA +PJ058360 CCCDEMY C32H47N7O13S4 865.2115 NA PeJP NA NA +PJ058361 GCCCNDDH C29H43N11O14S3 865.2154 NA PeJP NA NA +PJ058362 GSCCCCQY C31H47N9O12S4 865.2227 NA PeJP NA NA +PJ058363 CCCEMMF C33H51N7O10S5 865.2301 NA PeJP NA NA +PJ058364 SPCCCCNH C30H47N11O11S4 865.234 NA PeJP NA NA +PJ058365 SSSCCCNY C31H47N9O14S3 865.2405 NA PeJP NA NA +PJ058366 GCCCCCKF C32H51N9O9S5 865.2414 NA PeJP NA NA +PJ058367 PCCCDYY C36H47N7O12S3 865.2445 NA PeJP NA NA +PJ058368 DDDDEEE C31H43N7O22 865.2462 NA PeJP NA NA +PJ058369 SCCEMMY C33H51N7O12S4 865.2479 NA PeJP NA NA +PJ058370 GCNNNDDD C29H43N11O18S 865.2509 NA PeJP NA NA +PJ058371 GSCCNDMH C30H47N11O13S3 865.2517 NA PeJP NA NA +PJ058372 CDDDDHF C34H43N9O16S 865.2549 NA PeJP NA NA +PJ058373 CCCNNFY C35H47N9O11S3 865.2557 NA PeJP NA NA +PJ058374 GGCCCNFY C35H47N9O11S3 865.2558 NA PeJP NA NA +PJ058375 GSNDDDDE C30H43N9O21 865.2574 NA PeJP NA NA +PJ058376 GPCNDDDM C31H47N9O16S2 865.2583 NA PeJP NA NA +PJ058377 GSCCCCKY C32H51N9O11S4 865.2591 NA PeJP NA NA +PJ058378 CCDDHHH C32H43N13O12S2 865.2596 NA PeJP NA NA +PJ058379 GCDDMYY C36H47N7O14S2 865.2623 NA PeJP NA NA +PJ058380 PCCCMFY C37H51N7O9S4 865.2631 NA PeJP NA NA +PJ058381 GCMMMMY C34H55N7O9S5 865.2665 NA PeJP NA NA +PJ058382 SCCCQHW C34H47N11O10S3 865.267 NA PeJP NA NA +PJ058383 SSSCCNEH C30H47N11O15S2 865.2695 NA PeJP NA NA +PJ058384 CCNQMMH C31H51N11O10S4 865.2704 NA PeJP NA NA +PJ058385 SNDDDDW C34H43N9O18 865.2726 NA PeJP NA NA +PJ058386 GGSDDDDW C34H43N9O18 865.2727 NA PeJP NA NA +PJ058387 PCCNDEW C35H47N9O13S2 865.2735 NA PeJP NA NA +PJ058388 NNDDEEM C31H47N9O18S 865.276 NA PeJP NA NA +PJ058389 SDDMMMH C32H51N9O13S3 865.2769 NA PeJP NA NA +PJ058390 CCEYYW C40H47N7O11S2 865.2775 NA PeJP NA NA +PJ058391 SSCDEYY C36H47N7O16S 865.28 NA PeJP NA NA +PJ058392 GCCNNNNQ C29H47N13O14S2 865.2807 NA PeJP NA NA +PJ058393 GGGGGGGGGCCQ C29H47N13O14S2 865.2808 NA PeJP NA NA +PJ058394 SPCCMYY C37H51N7O11S3 865.2809 NA PeJP NA NA +PJ058395 CCCNMHR C30H51N13O9S4 865.2816 NA PeJP NA NA +PJ058396 SDEEEEE C32H47N7O21 865.2825 NA PeJP NA NA +PJ058397 PDDEEMM C33H51N7O16S2 865.2834 NA PeJP NA NA +PJ058398 STCMMMY C34H55N7O11S4 865.2843 NA PeJP NA NA +PJ058399 GSSSCCHW C34H47N11O12S2 865.2847 NA PeJP NA NA +PJ058400 GGCCNEHF C34H47N11O12S2 865.2848 NA PeJP NA NA +PJ058401 GSSSSSCDH C30H47N11O17S 865.2872 NA PeJP NA NA +PJ058402 CNDDDER C30H47N11O17S 865.2873 NA PeJP NA NA +PJ058403 GSSCNMMH C31H51N11O12S3 865.2881 NA PeJP NA NA +PJ058404 GPCCDWW C39H47N9O10S2 865.2888 NA PeJP NA NA +PJ058405 GNDDEMW C35H47N9O15S 865.2913 NA PeJP NA NA +PJ058406 GPPTCCCW C36H51N9O10S3 865.2921 NA PeJP NA NA +PJ058407 GSSNDEEE C31H47N9O20 865.2938 NA PeJP NA NA +PJ058408 GSPNDDMM C32H51N9O15S2 865.2946 NA PeJP NA NA +PJ058409 GGGSPDDMM C32H51N9O15S2 865.2947 NA PeJP NA NA +PJ058410 NNDDDHH C32H43N13O16 865.2951 NA PeJP NA NA +PJ058411 GCDDFFY C40H47N7O13S 865.2953 NA PeJP NA NA +PJ058412 GEMMMMH C33H55N9O10S4 865.2955 NA PeJP NA NA +PJ058413 SCDMHHH C33H47N13O11S2 865.296 NA PeJP NA NA +PJ058414 PCCCFFF C41H51N7O8S3 865.2962 NA PeJP NA NA +PJ058415 PDDDEEF C36H47N7O18 865.2978 NA PeJP NA NA +PJ058416 SSCNNNNN C29H47N13O16S 865.2985 NA PeJP NA NA +PJ058417 GSDMMYY C37H51N7O13S2 865.2987 NA PeJP NA NA +PJ058418 GSTCCCHR C30H51N13O11S3 865.2994 NA PeJP NA NA +PJ058419 GCMMMFF C38H55N7O8S4 865.2995 NA PeJP NA NA +PJ058420 GCCNHFW C38H47N11O9S2 865.3 NA PeJP NA NA +PJ058421 AEEEEEM C33H51N7O18S 865.3012 NA PeJP NA NA +PJ058422 GCDDDRW C34H47N11O14S 865.3025 NA PeJP NA NA +PJ058423 SCCCKHW C35H51N11O9S3 865.3034 NA PeJP NA NA +PJ058424 GSSDDDDR C30H47N11O19 865.305 NA PeJP NA NA +PJ058425 GSPCCDER C31H51N11O14S2 865.3059 NA PeJP NA NA +PJ058426 NDDMWW C39H47N9O12S 865.3065 NA PeJP NA NA +PJ058427 CCNKMMH C32H55N11O9S4 865.3067 NA PeJP NA NA +PJ058428 GPPCCCMR C32H55N11O9S4 865.3068 NA PeJP NA NA +PJ058429 SSNDEEW C35H47N9O17 865.309 NA PeJP NA NA +PJ058430 SPCNEMW C36H51N9O12S2 865.3099 NA PeJP NA NA +PJ058431 MMMMHW C37H55N9O7S4 865.3108 NA PeJP NA NA +PJ058432 SNQEEEM C32H51N9O17S 865.3124 NA PeJP NA NA +PJ058433 NDEYYY C40H47N7O15 865.313 NA PeJP NA NA +PJ058434 STEMMMH C33H55N9O12S3 865.3133 NA PeJP NA NA +PJ058435 GSPCNDHH C33H47N13O13S 865.3137 NA PeJP NA NA +PJ058436 GGGSPCDHH C33H47N13O13S 865.3138 NA PeJP NA NA +PJ058437 TCMYYW C41H51N7O10S2 865.3139 NA PeJP NA NA +PJ058438 ACMMHHH C34H51N13O8S3 865.3146 NA PeJP NA NA +MJ096483 Cassinine C44H51NO17 865.315699 NA MeJP NA NA +C09934 Cassinine C44H51NO17 865.3157 NA KEGG NA NA +PJ058439 SSSEMYY C37H51N7O15S 865.3164 NA PeJP NA NA +PJ058440 SSSSCCHR C30H51N13O13S2 865.3171 NA PeJP NA NA +PJ058441 QMMMYY C38H55N7O10S3 865.3173 NA PeJP NA NA +PJ058442 GSCNNWW C38H47N11O11S 865.3178 NA PeJP NA NA +PJ058443 TTEEEEE C33H51N7O20 865.3189 NA PeJP NA NA +PJ058444 PTEEEMM C34H55N7O15S2 865.3198 NA PeJP NA NA +PJ058445 GSSSNNDW C34H47N11O16 865.3203 NA PeJP NA NA +PJ058446 PPEMMMM C35H59N7O10S4 865.3207 NA PeJP NA NA +PJ058447 SPCCDRW C35H51N11O11S2 865.3211 NA PeJP NA NA +PJ058448 GGGGGGGMMW C35H51N11O11S2 865.3212 NA PeJP NA NA +PJ058449 GCEWWW C43H47N9O9S 865.3218 NA PeJP NA NA +PJ058450 SNDDEMR C31H51N11O16S 865.3236 NA PeJP NA NA +PJ058451 GGGGGGGSTEM C31H51N11O16S 865.3237 NA PeJP NA NA +PJ058452 GSSDEWW C39H47N9O14 865.3243 NA PeJP NA NA +PJ058453 PCNDMMR C32H55N11O11S3 865.3245 NA PeJP NA NA +PJ058454 CNNNQHH C32H47N15O12S 865.325 NA PeJP NA NA +PJ058455 APTCCWW C40H51N9O9S2 865.3251 NA PeJP NA NA +PJ058456 GSPCMWW C40H51N9O9S2 865.3252 NA PeJP NA NA +PJ058457 ATCQEEW C36H51N9O14S 865.3276 NA PeJP NA NA +PJ058458 GSQEEMW C36H51N9O14S 865.3277 NA PeJP NA NA +PJ058459 GDYYYW C44H47N7O12 865.3283 NA PeJP NA NA +PJ058460 GPNMMMW C37H55N9O9S3 865.3285 NA PeJP NA NA +PJ058461 GCEHHHF C37H47N13O10S 865.329 NA PeJP NA NA +PJ058462 ASSSQEEE C32H51N9O19 865.3301 NA PeJP NA NA +PJ058463 GSSTQEEE C32H51N9O19 865.3302 NA PeJP NA NA +PJ058464 AQQEEMM C33H55N9O14S2 865.331 NA PeJP NA NA +PJ058465 NNNNNNY C33H47N13O15 865.3315 NA PeJP NA NA +PJ058466 GPTCYYY C41H51N7O12S 865.3317 NA PeJP NA NA +PJ058467 SVMMMMH C34H59N9O9S4 865.3319 NA PeJP NA NA +PJ058468 GCCNQRW C34H51N13O10S2 865.3324 NA PeJP NA NA +PJ058469 APEEEEY C37H51N7O17 865.3342 NA PeJP NA NA +PJ058470 SCDDDRR C30H51N13O15S 865.3349 NA PeJP NA NA +PJ058471 GTTMMYY C38H55N7O12S2 865.335 NA PeJP NA NA +PJ058472 PPDEMMF C38H55N7O12S2 865.3351 NA PeJP NA NA +PJ058473 GNNNDFW C38H47N11O13 865.3355 NA PeJP NA NA +PJ058474 PCCCERR C31H55N13O10S3 865.3357 NA PeJP NA NA +PJ058475 CWWWW C47H47N9O6S 865.337 NA PeJP NA NA +PJ058476 SLEEEEM C34H55N7O17S 865.3376 NA PeJP NA NA +PJ058477 PVEEMMM C35H59N7O12S3 865.3384 NA PeJP NA NA +PJ058478 GSDDMRW C35H51N11O13S 865.3389 NA PeJP NA NA +PJ058479 SSDWWW C43H47N9O11 865.3395 NA PeJP NA NA +PJ058480 APCCMRW C36H55N11O8S3 865.3398 NA PeJP NA NA +PJ058481 GSSSDEER C31H51N11O18 865.3414 NA PeJP NA NA +PJ058482 SNQQQMM C32H55N11O13S2 865.3422 NA PeJP NA NA +PJ058483 GNEEMMR C32H55N11O13S2 865.3423 NA PeJP NA NA +PJ058484 GSSNNNHH C32H47N15O14 865.3427 NA PeJP NA NA +PJ058485 GGGGGGGSSHH C32H47N15O14 865.3428 NA PeJP NA NA +PJ058486 SQEMWW C40H51N9O11S 865.3429 NA PeJP NA NA +PJ058487 PCCNHHR C33H51N15O9S2 865.3436 NA PeJP NA NA +PJ058488 CHHHFW C41H47N13O7S 865.3443 NA PeJP NA NA +PJ058489 SSTQEEW C36H51N9O16 865.3454 NA PeJP NA NA +PJ058490 AAQEMMW C37H55N9O11S2 865.3463 NA PeJP NA NA +PJ058491 GSNEHHW C37H47N13O12 865.3468 NA PeJP NA NA +PJ058492 GMFYYW C45H51N7O9S 865.3469 NA PeJP NA NA +3512 ACE inhibitor (as1-CN 157-164) DAYPSGAW 865.3479 ACE inhibitor Inhouse_peptide NA peptide +PJ058493 SNKEEEM C33H55N9O16S 865.3488 NA PeJP NA NA +PJ058494 TQEYYY C41H51N7O14 865.3494 NA PeJP NA NA +PJ058495 PTQQMMM C34H59N9O11S3 865.3496 NA PeJP NA NA +PJ058496 PNDKMMM C34H59N9O11S3 865.3497 NA PeJP NA NA +PJ058497 SSCNNRW C34H51N13O12S 865.3501 NA PeJP NA NA +PJ058498 GGGGGGAPPCH C34H51N13O12S 865.3502 NA PeJP NA NA +PJ058499 QMMFFY C42H55N7O9S2 865.3503 NA PeJP NA NA +PJ058500 SSSSNNDR C30H51N13O17 865.3526 NA PeJP NA NA +PJ058501 STTTMYY C38H55N7O14S 865.3528 NA PeJP NA NA +PJ058502 GCDEMRR C31H55N13O12S2 865.3535 NA PeJP NA NA +PJ058503 KMMMYY C39H59N7O9S3 865.3537 NA PeJP NA NA +PJ058504 SCERWW C39H51N11O10S 865.3541 NA PeJP NA NA +PJ058505 GGGNMHFF C39H51N11O10S 865.3542 NA PeJP NA NA +PJ058506 VVEEEMM C35H59N7O14S2 865.3562 NA PeJP NA NA +PJ058507 SSSDERW C35H51N11O15 865.3566 NA PeJP NA NA +PJ058508 GGGGGSSTTW C35H51N11O15 865.3567 NA PeJP NA NA +PJ058509 NEMMRW C36H55N11O10S2 865.3575 NA PeJP NA NA +PJ058510 SPDHHHH C36H47N15O11 865.358 NA PeJP NA NA +PJ058511 GTMWWW C44H51N9O8S 865.3582 NA PeJP NA NA +PJ058512 SSQEEMR C32H55N11O15S 865.36 NA PeJP NA NA +PJ058513 GSTTEWW C40H51N9O13 865.3607 NA PeJP NA NA +PJ058514 SPNMMMR C33H59N11O10S3 865.3609 NA PeJP NA NA +PJ058515 GNDMHHR C33H51N15O11S 865.3614 NA PeJP NA NA +PJ058516 VNMMWW C41H55N9O8S2 865.3615 NA PeJP NA NA +PJ058517 SNHHWW C41H47N13O9 865.362 NA PeJP NA NA +PJ058518 GSKEEMW C37H55N9O13S 865.364 NA PeJP NA NA +PJ058519 GGGGPVEMY C37H55N9O13S 865.3641 NA PeJP NA NA +PJ058520 ATYYYW C45H51N7O11 865.3647 NA PeJP NA NA +PJ058521 APCKMMW C38H59N9O8S3 865.3649 NA PeJP NA NA +PJ058522 QQMHHW C38H51N13O9S 865.3654 NA PeJP NA NA +PJ058523 GSSTKEEE C33H55N9O18 865.3665 NA PeJP NA NA +PJ058524 AQKEEMM C34H59N9O13S2 865.3674 NA PeJP NA NA +PJ058525 GNNNERY C34H51N13O14 865.3679 NA PeJP NA NA +PJ058526 VQMYYY C42H55N7O11S 865.368 NA PeJP NA NA +PJ058527 GGLMYYY C42H55N7O11S 865.3681 NA PeJP NA NA +PJ058528 GCCNKRW C35H55N13O9S2 865.3687 NA PeJP NA NA +PJ058529 CDMRRW C35H55N13O9S2 865.3688 NA PeJP NA NA +PJ058530 GNQHHHH C35H47N17O10 865.3692 NA PeJP NA NA +PJ058531 SPLEEEY C38H55N7O16 865.3706 NA PeJP NA NA +PJ058532 GSSSNQMR C31H55N13O14S 865.3712 NA PeJP NA NA +PJ058533 SSDDMRR C31H55N13O14S 865.3713 NA PeJP NA NA +PJ058534 PPVEMMY C39H59N7O11S2 865.3714 NA PeJP NA NA +PJ058535 NQQQYW C39H51N11O12 865.3719 NA PeJP NA NA +PJ058536 PTCCMRR C32H59N13O9S3 865.3721 NA PeJP NA NA +PJ058537 GMMRWW C40H55N11O7S2 865.3728 NA PeJP NA NA +PJ058538 GSTEMRW C36H55N11O12S 865.3753 NA PeJP NA NA +PJ058539 STTWWW C44H51N9O10 865.3759 NA PeJP NA NA +PJ058540 CQHHRW C37H51N15O8S 865.3766 NA PeJP NA NA +PJ058541 GSSTTEER C32H55N11O17 865.3778 NA PeJP NA NA +PJ058542 GDKEMMR C33H59N11O12S2 865.3786 NA PeJP NA NA +PJ058543 GAATEMMR C33H59N11O12S2 865.3787 NA PeJP NA NA +PJ058544 SSNEHHR C33H51N15O13 865.3791 NA PeJP NA NA +PJ058545 SKEMWW C41H55N9O10S 865.3793 NA PeJP NA NA +PJ058546 GFFFYW C49H51N7O8 865.3799 NA PeJP NA NA +PJ058547 SSTKEEW C37H55N9O15 865.3818 NA PeJP NA NA +PJ058548 GSSSCNRR C30H55N15O13S 865.3825 NA PeJP NA NA +PJ058549 AAKEMMW C38H59N9O10S2 865.3827 NA PeJP NA NA +PJ058550 NNNRYW C38H51N13O11 865.3831 NA PeJP NA NA +PJ058551 GGGGGGRYW C38H51N13O11 865.3832 NA PeJP NA NA +PJ058552 QMFFFF C46H55N7O8S 865.3833 NA PeJP NA NA +PJ058553 SDKKEEM C34H59N9O15S 865.3852 NA PeJP NA NA +PJ058554 TKEYYY C42H55N7O13 865.3858 NA PeJP NA NA +PJ058555 PTQKMMM C35H63N9O10S3 865.386 NA PeJP NA NA +PJ058556 GGGGLLMMM C35H63N9O10S3 865.3861 NA PeJP NA NA +PJ058557 GPCDRRY C35H55N13O11S 865.3865 NA PeJP NA NA +PJ058558 KMMFFY C43H59N7O8S2 865.3867 NA PeJP NA NA +PJ058559 GDFRWW C43H51N11O9 865.3872 NA PeJP NA NA +PJ058560 SSSSSQQR C31H55N13O16 865.389 NA PeJP NA NA +PJ058561 PVVEEMY C39H59N7O13S 865.3892 NA PeJP NA NA +PJ058562 GSEMMRR C32H59N13O11S2 865.3899 NA PeJP NA NA +PJ058563 PPLMMMF C40H63N7O8S3 865.3901 NA PeJP NA NA +PJ058564 STMRWW C40H55N11O9S 865.3905 NA PeJP NA NA +PJ058565 AAFWWW C48H51N9O7 865.3912 NA PeJP NA NA +PJ058566 TLLEEMM C36H63N7O13S2 865.3926 NA PeJP NA NA +PJ058567 SSTTERW C36H55N11O14 865.393 NA PeJP NA NA +PJ058568 GGGGGGVDKY C36H55N11O14 865.3931 NA PeJP NA NA +PJ058569 PLLMMMM C37H67N7O8S4 865.3934 NA PeJP NA NA +PJ058570 DKMMRW C37H59N11O9S2 865.3939 NA PeJP NA NA +PJ058571 GSSHHRW C37H51N15O10 865.3944 NA PeJP NA NA +PJ058572 PCKFWW C45H55N9O7S 865.3946 NA PeJP NA NA +PJ058573 SSKEEMR C33H59N11O14S 865.3964 NA PeJP NA NA +PJ058574 SSSTLWW C41H55N9O12 865.397 NA PeJP NA NA +PJ058575 GSPKEYW C41H55N9O12 865.3971 NA PeJP NA NA +PJ058576 GLQMMMR C34H63N11O9S3 865.3973 NA PeJP NA NA +PJ058577 GCNNFRR C34H55N15O10S 865.3977 NA PeJP NA NA +PJ058578 GGGCNFRR C34H55N15O10S 865.3978 NA PeJP NA NA +PJ058579 CLKMWW C42H59N9O7S2 865.3979 NA PeJP NA NA +PJ058580 AAHHHFF C42H51N13O8 865.3984 NA PeJP NA NA +PJ058581 ATTKEMW C38H59N9O12S 865.4004 NA PeJP NA NA +PJ058582 VQFFYY C46H55N7O10 865.4011 NA PeJP NA NA +PJ058583 APPCHRW C39H55N13O8S 865.4018 NA PeJP NA NA +PJ058584 SSSSLKEE C34H59N9O17 865.4029 NA PeJP NA NA +PJ058585 AKKEEMM C35H63N9O12S2 865.4038 NA PeJP NA NA +PJ058586 NEERRY C35H55N13O13 865.4043 NA PeJP NA NA +PJ058587 VKMYYY C43H59N7O10S 865.4044 NA PeJP NA NA +PJ058588 PPVEMFF C43H59N7O10S 865.4045 NA PeJP NA NA +PJ058589 SMMRRW C36H59N13O8S2 865.4051 NA PeJP NA NA +PJ058590 GNKHHHH C36H51N17O9 865.4056 NA PeJP NA NA +PJ058591 ALLEEEY C39H59N7O15 865.4069 NA PeJP NA NA +PJ058592 VVVEEEY C39H59N7O15 865.407 NA PeJP NA NA +PJ058593 SSTEMRR C32H59N13O13S 865.4076 NA PeJP NA NA +PJ058594 PVLEMMF C40H63N7O10S2 865.4078 NA PeJP NA NA +PJ058595 VNERYW C40H55N11O11 865.4083 NA PeJP NA NA +PJ058596 AAMMMRR C33H63N13O8S3 865.4085 NA PeJP NA NA +PJ058597 GTCHHRR C33H55N17O9S 865.409 NA PeJP NA NA +PJ058598 LHHHHW C41H51N15O7 865.4096 NA PeJP NA NA +PJ058599 VLLEMMM C37H67N7O10S3 865.4112 NA PeJP NA NA +PJ058600 SSSLMRW C37H59N11O11S 865.4116 NA PeJP NA NA +PJ058601 VTTTCRW C37H59N11O11S 865.4117 NA PeJP NA NA +PJ058602 SPKYWW C45H55N9O9 865.4123 NA PeJP NA NA +PJ058603 CKHHRW C38H55N15O7S 865.413 NA PeJP NA NA +PJ058604 SSSSTLER C33H59N11O16 865.4141 NA PeJP NA NA +PJ058605 GTTTTTER C33H59N11O16 865.4142 NA PeJP NA NA +PJ058606 ATKEMMR C34H63N11O11S2 865.415 NA PeJP NA NA +PJ058607 GSNNRRY C34H55N15O12 865.4155 NA PeJP NA NA +PJ058608 AAPKMYW C42H59N9O9S 865.4157 NA PeJP NA NA +PJ058609 TTTTKEW C38H59N9O14 865.4182 NA PeJP NA NA +PJ058610 ASLKMMW C39H63N9O9S2 865.419 NA PeJP NA NA +PJ058611 GTLKMMW C39H63N9O9S2 865.4191 NA PeJP NA NA +PJ058612 GERRYW C39H55N13O10 865.4195 NA PeJP NA NA +PJ058613 KMFFFF C47H59N7O7S 865.4197 NA PeJP NA NA +3974 ACE inhibitor YGLVAGTW 865.42 ACE inhibitor Inhouse_peptide NA peptide +3798 NA WWPKHN~ 865.4209 ACE inhibitor Inhouse_peptide NA peptide +PJ058614 SPTTTTKM C35H63N9O14S 865.4215 NA PeJP NA NA +PJ058615 TTKKEEM C35H63N9O14S 865.4216 NA PeJP NA NA +PJ058616 PPVVEYY C43H59N7O12 865.4222 NA PeJP NA NA +PJ058617 PTKKMMM C36H67N9O9S3 865.4224 NA PeJP NA NA +PJ058618 GSPMRRY C36H59N13O10S 865.4229 NA PeJP NA NA +PJ058619 GVRYWW C44H55N11O8 865.4235 NA PeJP NA NA +PJ058620 GAPLHWW C44H55N11O8 865.4236 NA PeJP NA NA +PJ058621 SSSSSQKR C32H59N13O15 865.4254 NA PeJP NA NA +PJ058622 PTLLEMY C40H63N7O12S 865.4256 NA PeJP NA NA +PJ058623 ATTMMRR C33H63N13O10S2 865.4263 NA PeJP NA NA +PJ058624 SSSHHRR C33H55N17O11 865.4267 NA PeJP NA NA +PJ058625 VQMFRW C41H59N11O8S 865.4269 NA PeJP NA NA +PJ058626 TTTTTRW C37H59N11O13 865.4294 NA PeJP NA NA +PJ058627 ACCKKKW C38H63N11O8S2 865.4303 NA PeJP NA NA +PJ058628 PDHRRW C38H55N15O9 865.4308 NA PeJP NA NA +PJ058629 TTTKEMR C34H63N11O13S 865.4328 NA PeJP NA NA +PJ058630 LQKEYW C42H59N9O11 865.4334 NA PeJP NA NA +PJ058631 GAPPPLEW C42H59N9O11 865.4335 NA PeJP NA NA +PJ058632 GLKMMMR C35H67N11O8S3 865.4337 NA PeJP NA NA +PJ058633 CEFRRR C35H59N15O9S 865.4341 NA PeJP NA NA +PJ058634 RRYWW C43H55N13O7 865.4348 NA PeJP NA NA +PJ058635 STTLKMW C39H63N9O11S 865.4368 NA PeJP NA NA +MJ096484 Casoxin D C47H59N7O9 865.437426 NA MeJP NA NA +PJ058636 VKFFYY C47H59N7O9 865.4375 NA PeJP NA NA +PJ058637 AMFRRW C40H59N13O7S 865.4382 NA PeJP NA NA +PJ058638 SSTTTLKE C35H63N9O16 865.4393 NA PeJP NA NA +PJ058639 SLKKEMM C36H67N9O11S2 865.4402 NA PeJP NA NA +PJ058640 SSPTRRY C36H59N13O12 865.4406 NA PeJP NA NA +PJ058641 DKERRY C36H59N13O12 865.4407 NA PeJP NA NA +PJ058642 PPVLMFY C44H63N7O9S 865.4408 NA PeJP NA NA +PJ058643 NHHFRR C37H55N17O8 865.442 NA PeJP NA NA +PJ058644 SLLLEEY C40H63N7O14 865.4433 NA PeJP NA NA +PJ058645 TTTTMRR C33H63N13O12S 865.444 NA PeJP NA NA +PJ058646 PVLLMMY C41H67N7O9S2 865.4442 NA PeJP NA NA +PJ058647 VDKRYW C41H59N11O10 865.4447 NA PeJP NA NA +PJ058648 SSCKKKW C38H63N11O10S 865.448 NA PeJP NA NA +PJ058649 GGGLLMRY C38H63N11O10S 865.4481 NA PeJP NA NA +PJ058650 ALKYWW C46H59N9O8 865.4487 NA PeJP NA NA +PJ058651 SSTTTTLR C34H63N11O15 865.4505 NA PeJP NA NA +PJ058652 STLKMMR C35H67N11O10S2 865.4514 NA PeJP NA NA +PJ058653 SERRRY C35H59N15O11 865.4519 NA PeJP NA NA +PJ058654 AALKMFW C43H63N9O8S 865.4521 NA PeJP NA NA +PJ058655 GLKKEEY C39H63N9O13 865.4546 NA PeJP NA NA +PJ058656 PCLKKMF C40H67N9O8S2 865.4554 NA PeJP NA NA +PJ058657 SVRRYW C40H59N13O9 865.4559 NA PeJP NA NA +PJ058658 SSSTLLKM C36H67N9O13S 865.4579 NA PeJP NA NA +PJ058659 PPTLLYY C44H63N7O11 865.4586 NA PeJP NA NA +PJ058660 VVKKMMM C37H71N9O8S3 865.4588 NA PeJP NA NA +PJ058661 LQMRRY C37H63N13O9S 865.4593 NA PeJP NA NA +PJ058662 PLKHWW C45H59N11O7 865.4599 NA PeJP NA NA +PJ058663 SSSSSKKR C33H63N13O14 865.4618 NA PeJP NA NA +PJ058664 VVLLEMY C41H67N7O11S 865.462 NA PeJP NA NA +PJ058665 TCCKKKR C34H67N13O9S2 865.4627 NA PeJP NA NA +PJ058666 AAQQHRR C34H59N17O10 865.4631 NA PeJP NA NA +PJ058667 VKMFRW C42H63N11O7S 865.4633 NA PeJP NA NA +PJ058668 GTLKERY C38H63N11O12 865.4658 NA PeJP NA NA +PJ058669 AAKHHFR C39H59N15O8 865.4671 NA PeJP NA NA +PJ058670 GPPHFRR C39H59N15O8 865.4672 NA PeJP NA NA +PJ058671 GSSTKKKM C35H67N11O12S 865.4692 NA PeJP NA NA +PJ058672 LKKEYW C43H63N9O10 865.4698 NA PeJP NA NA +PJ058673 CLRRRY C36H63N15O8S 865.4705 NA PeJP NA NA +PJ058674 SPLKKMY C40H67N9O10S 865.4732 NA PeJP NA NA +PJ058675 PPVLFFF C48H63N7O8 865.4739 NA PeJP NA NA +PJ058676 NQHRRR C33H59N19O9 865.4744 NA PeJP NA NA +PJ058677 TTTTTTLK C36H67N9O15 865.4757 NA PeJP NA NA +PJ058678 GTTLRRY C37H63N13O11 865.477 NA PeJP NA NA +PJ058679 GAALLEHR C37H63N13O11 865.4771 NA PeJP NA NA +PJ058680 PVLLMFF C45H67N7O8S 865.4772 NA PeJP NA NA +PJ058681 VLLLMMF C42H71N7O8S2 865.4806 NA PeJP NA NA +PJ058682 TLKRYW C42H63N11O9 865.4811 NA PeJP NA NA +MJ096485 Antibiotic B 1371A C46H67N5O11 865.483708 NA MeJP NA NA +PJ058683 GVLKMRY C39H67N11O9S 865.4844 NA PeJP NA NA +PJ058684 SSSTTKKK C35H67N11O14 865.4869 NA PeJP NA NA +PJ058685 TCKKKKM C36H71N11O9S2 865.4878 NA PeJP NA NA +PJ058686 GVLEHRR C36H63N15O10 865.4883 NA PeJP NA NA +PJ058687 SVLKKEY C40H67N9O12 865.4909 NA PeJP NA NA +PJ058688 GATTLLKY C40H67N9O12 865.491 NA PeJP NA NA +PJ058689 AALLHRW C41H63N13O8 865.4923 NA PeJP NA NA +MJ096486 Anabaenopeptin T C45H67N7O10 865.494941 NA MeJP NA NA +PJ058690 PVVLLYY C45H67N7O10 865.495 NA PeJP NA NA +PJ058691 LKMRRY C38H67N13O8S 865.4957 NA PeJP NA NA +C15728 Chivosazole A C49H71NO12 865.4976 NA KEGG NA NA +MJ096487 Chivosazole E; 2',3',20-Tri-Me ether C49H71NO12 865.497626 NA MeJP NA NA +PJ058692 TLLLLMY C42H71N7O10S 865.4983 NA PeJP NA NA +PJ058693 LEHRRR C35H63N17O9 865.4995 NA PeJP NA NA +PJ058694 SSLLKRY C39H67N11O11 865.5022 NA PeJP NA NA +PJ058695 VLHRRW C40H63N15O7 865.5035 NA PeJP NA NA +PJ058696 PPLLLQW C44H67N9O9 865.5062 NA PeJP NA NA +PJ058697 ALLKKMY C41H71N9O9S 865.5096 NA PeJP NA NA +PJ058698 NKHRRR C34H63N19O8 865.5107 NA PeJP NA NA +PJ058699 GGKHRRR C34H63N19O8 865.5108 NA PeJP NA NA +PJ058700 GSKKKRY C38H67N13O10 865.5134 NA PeJP NA NA +PJ058701 AVLLKHW C43H67N11O8 865.5174 NA PeJP NA NA +PJ058702 PPVVLRW C43H67N11O8 865.5175 NA PeJP NA NA +MJ096488 Concanamycin A C46H75NO14 865.518756 NA MeJP NA NA +C15761 Concanamycin A C46H75NO14 865.5188 NA KEGG NA NA +PJ058703 GKKKKMF C40H71N11O8S 865.5208 NA PeJP NA NA +PJ058704 ATLLHRR C37H67N15O9 865.5247 NA PeJP NA NA +PJ058705 TTLLKKY C41H71N9O11 865.5273 NA PeJP NA NA +PJ058706 APPVLLKE C41H71N9O11 865.5274 NA PeJP NA NA +PJ058707 LKFFRR C42H67N13O7 865.5287 NA PeJP NA NA +PJ058708 VVLLLFY C46H71N7O9 865.5314 NA PeJP NA NA +PJ058709 GPPKRRR C36H67N17O8 865.5359 NA PeJP NA NA +PJ058710 ATKKKKY C40H71N11O10 865.5386 NA PeJP NA NA +PJ058711 PPLLLKW C45H71N9O8 865.5426 NA PeJP NA NA +PJ058712 SLLLKHR C39H71N13O9 865.5498 NA PeJP NA NA +PJ058713 AVKKKHR C38H71N15O8 865.561 NA PeJP NA NA +PJ058714 GLKKKHR C38H71N15O8 865.5611 NA PeJP NA NA +PJ058715 SPPVLLLK C42H75N9O10 865.5637 NA PeJP NA NA +PJ058716 AAPLLLLR C41H75N11O9 865.575 NA PeJP NA NA +EUR1008 PC 38:6 [M-H+acetate]- C46H80NO8P 865.583257 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1008 PC 38:6 [M-H+acetate]- C46H80NO8P 865.583257 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1008 PC 38:6 [M-H+acetate]- C46H80NO8P 865.583257 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1008 PC 38:6 [M-H+acetate]- C46H80NO8P 865.583257 masses lipides attendues Inhousejuil11 NA NA +PJ058717 PVLLLRR C40H75N13O8 865.5862 NA PeJP NA NA +PJ058718 GPLLLLLK C43H79N9O9 865.6001 NA PeJP NA NA +HMDB08191 PC(18:3(6Z,9Z,12Z)/24:1(15Z)) C50H92NO8P 865.656067 NA HMDB2010 NA NA +HMDB08224 PC(18:3(9Z,12Z,15Z)/24:1(15Z)) C50H92NO8P 865.656067 NA HMDB2010 NA NA +HMDB08256 PC(18:4(6Z,9Z,12Z,15Z)/24:0) C50H92NO8P 865.656067 NA HMDB2010 NA NA +HMDB08285 PC(20:0/22:4(7Z,10Z,13Z,16Z)) C50H92NO8P 865.656067 NA HMDB2010 NA NA +HMDB08350 PC(20:2(11Z,14Z)/22:2(13Z,16Z)) C50H92NO8P 865.656067 NA HMDB2010 NA NA +HMDB08382 PC(20:3(5Z,8Z,11Z)/22:1(13Z)) C50H92NO8P 865.656067 NA HMDB2010 NA NA +HMDB08414 PC(20:3(8Z,11Z,14Z)/22:1(13Z)) C50H92NO8P 865.656067 NA HMDB2010 NA NA +HMDB08446 PC(20:4(5Z,8Z,11Z,14Z)/22:0) C50H92NO8P 865.656067 NA HMDB2010 NA NA +HMDB08479 PC(20:4(8Z,11Z,14Z,17Z)/22:0) C50H92NO8P 865.656067 NA HMDB2010 NA NA +HMDB08542 PC(22:0/20:4(5Z,8Z,11Z,14Z)) C50H92NO8P 865.656067 NA HMDB2010 NA NA +HMDB08543 PC(22:0/20:4(8Z,11Z,14Z,17Z)) C50H92NO8P 865.656067 NA HMDB2010 NA NA +HMDB08572 PC(22:1(13Z)/20:3(5Z,8Z,11Z)) C50H92NO8P 865.656067 NA HMDB2010 NA NA +HMDB08573 PC(22:1(13Z)/20:3(8Z,11Z,14Z)) C50H92NO8P 865.656067 NA HMDB2010 NA NA +HMDB08604 PC(22:2(13Z,16Z)/20:2(11Z,14Z)) C50H92NO8P 865.656067 NA HMDB2010 NA NA +HMDB08635 PC(22:4(7Z,10Z,13Z,16Z)/20:0) C50H92NO8P 865.656067 NA HMDB2010 NA NA +HMDB08766 PC(24:0/18:4(6Z,9Z,12Z,15Z)) C50H92NO8P 865.656067 NA HMDB2010 NA NA +HMDB08797 PC(24:1(15Z)/18:3(6Z,9Z,12Z)) C50H92NO8P 865.656067 NA HMDB2010 NA NA +HMDB08798 PC(24:1(15Z)/18:3(9Z,12Z,15Z)) C50H92NO8P 865.656067 NA HMDB2010 NA NA +MJ096489 6,6'-Bieckol; 2-O-(2,4,6-Trihydroxyphenyl) C42H26O21 866.096657 NA MeJP NA NA +PJ058719 CCCCCCDD C26H42N8O13S6 866.1196 NA PeJP NA NA +PJ058720 SCCCCCDM C27H46N8O12S6 866.156 NA PeJP NA NA +PJ058721 ACCCCCMM C28H50N8O9S7 866.1746 NA PeJP NA NA +PJ058722 GCCCCCEF C31H46N8O11S5 866.189 NA PeJP NA NA +MJ096490 3,3',4',5,5',7-Hexahydroxyflavylium(1+); Glycoside C41H39O21(+) 866.190558 NA MeJP NA NA +PJ058723 SSCCCCMM C28H50N8O11S6 866.1924 NA PeJP NA NA +PJ058724 GCCCDDDH C29H42N10O15S3 866.1994 NA PeJP NA NA +PJ058725 CCCCCFW C35H46N8O8S5 866.2042 NA PeJP NA NA +C10239 Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol C45H38O18 866.2058 NA KEGG NA NA +C17624 Cinnamtannin A1 C45H38O18 866.2058 NA KEGG NA NA +MJ096491 3,3',4',5',7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan(6?4)-3,3',4',5',7-pentahydroxyflavan C45H38O18 866.205814 NA MeJP NA NA +MJ096492 3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan C45H38O18 866.205814 NA MeJP NA NA +MJ096493 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan C45H38O18 866.205814 NA MeJP NA NA +MJ096494 3,3',4',7,8-Pentahydroxyflavan(5?6)-3,3',4',5,7-pentahydroxyflavan(8?5)-3,3',4',7,8-pentahydroxyflavan C45H38O18 866.205814 NA MeJP NA NA +MJ096495 Dolabriproanthocyanidin C45H38O18 866.205814 NA MeJP NA NA +MJ096496 [3,3',4',5,7-Pentahydroxyflavan(4?6)]2-3,3',4',5,7-pentahydroxyflavan C45H38O18 866.205814 NA MeJP NA NA +MJ096497 [3,3',4',5,7-Pentahydroxyflavan(4?8)]2-3,3',4',5,7-pentahydroxyflavan C45H38O18 866.205814 NA MeJP NA NA +MetaCyc04208 2,3-cis-oligoproanthocyanidin [] C45H38O18 866.205814 NA metacyc NA NA +PJ058726 GSCCCCEY C31H46N8O13S4 866.2068 NA PeJP NA NA +PJ058727 SPCCCCDH C30H46N10O12S4 866.218 NA PeJP NA NA +PJ058728 SCCCCYW C35H46N8O10S4 866.222 NA PeJP NA NA +PJ058729 SSSCCCDY C31H46N8O15S3 866.2245 NA PeJP NA NA +PJ058730 CCCNMMY C32H50N8O10S5 866.2254 NA PeJP NA NA +MJ096498 Chamaejasmin, 7,7''-Di-O-?-D-glucopyranoside C42H42O20 866.226943 NA MeJP NA NA +PJ058731 GCCCCNQH C29H46N12O11S4 866.2292 NA PeJP NA NA +PJ058732 GCNNDDDD C29H42N10O19S 866.2349 NA PeJP NA NA +PJ058733 GSCCDDMH C30H46N10O14S3 866.2358 NA PeJP NA NA +PJ058734 APCCCCMH C31H50N10O9S5 866.2366 NA PeJP NA NA +PJ058735 CCCNDFY C35H46N8O12S3 866.2398 NA PeJP NA NA +PJ058736 GSDDDDDE C30H42N8O22 866.2414 NA PeJP NA NA +PJ058737 GPCDDDDM C31H46N8O17S2 866.2423 NA PeJP NA NA +PJ058738 GSTCCCMY C32H50N8O12S4 866.2431 NA PeJP NA NA +PJ058739 SSCCCNNH C29H46N12O13S3 866.247 NA PeJP NA NA +PJ058740 SCCCEHW C34H46N10O11S3 866.251 NA PeJP NA NA +PJ058741 SSSCCDEH C30H46N10O16S2 866.2535 NA PeJP NA NA +PJ058742 CCNEMMH C31H50N10O11S4 866.2544 NA PeJP NA NA +PJ058743 SDDDDDW C34H42N8O19 866.2567 NA PeJP NA NA +PJ058744 PCCDDEW C35H46N8O14S2 866.2575 NA PeJP NA NA +PJ058745 CCCNMFF C36H50N8O9S4 866.2584 NA PeJP NA NA +PJ058746 NDDDEEM C31H46N8O19S 866.26 NA PeJP NA NA +PJ058747 SSSSCCMY C32H50N8O14S3 866.2609 NA PeJP NA NA +PJ058748 GCCNNNNE C29H46N12O15S2 866.2647 NA PeJP NA NA +PJ058749 GGGGGCCNNE C29H46N12O15S2 866.2648 NA PeJP NA NA +PJ058750 CCCDMHR C30H50N12O10S4 866.2656 NA PeJP NA NA +PJ058751 CCNDEHF C34H46N10O13S2 866.2688 NA PeJP NA NA +PJ058752 GCCMMHW C35H50N10O8S4 866.2696 NA PeJP NA NA +PJ058753 CDDDDER C30H46N10O18S 866.2713 NA PeJP NA NA +PJ058754 GSSCDMMH C31H50N10O13S3 866.2721 NA PeJP NA NA +PJ058755 GGGGGPCCEM C31H50N10O13S3 866.2722 NA PeJP NA NA +PJ058756 CCCQHHH C32H46N14O9S3 866.2735 NA PeJP NA NA +PJ058757 GDDDEMW C35H46N8O16S 866.2753 NA PeJP NA NA +PJ058758 GCCQMYY C36H50N8O11S3 866.2761 NA PeJP NA NA +PJ058759 GGACCMYY C36H50N8O11S3 866.2762 NA PeJP NA NA +PJ058760 GSSDDEEE C31H46N8O21 866.2778 NA PeJP NA NA +PJ058761 GSPDDDMM C32H50N8O16S2 866.2787 NA PeJP NA NA +PJ058762 NDDDDHH C32H42N12O17 866.2791 NA PeJP NA NA +PJ058763 GPPCCEMM C33H54N8O11S4 866.2795 NA PeJP NA NA +PJ058764 CCNNNNW C33H46N12O12S2 866.28 NA PeJP NA NA +PJ058765 SSCNNNND C29H46N12O17S 866.2825 NA PeJP NA NA +PJ058766 GPCCCNDR C30H50N12O12S3 866.2834 NA PeJP NA NA +PJ058767 GCCDHFW C38H46N10O10S2 866.284 NA PeJP NA NA +PJ058768 SCNNDEW C34H46N10O15S 866.2865 NA PeJP NA NA +PJ058769 STCCMHW C35H50N10O10S3 866.2874 NA PeJP NA NA +PJ058770 SSSNNDDE C30H46N10O20 866.289 NA PeJP NA NA +PJ058771 SSSSCEMH C31H50N10O15S2 866.2899 NA PeJP NA NA +PJ058772 DDDMWW C39H46N8O13S 866.2905 NA PeJP NA NA +PJ058773 SCQMMMH C32H54N10O10S4 866.2907 NA PeJP NA NA +PJ058774 TCNMMMH C32H54N10O10S4 866.2908 NA PeJP NA NA +PJ058775 GSSCCHHH C32H46N14O11S2 866.2912 NA PeJP NA NA +PJ058776 SSDDEEW C35H46N8O18 866.293 NA PeJP NA NA +PJ058777 GGPDDDEY C35H46N8O18 866.2931 NA PeJP NA NA +PJ058778 SPCDEMW C36H50N8O13S2 866.2939 NA PeJP NA NA +PJ058779 PPCCMMW C37H54N8O8S4 866.2948 NA PeJP NA NA +PJ058780 SNEEEEM C32H50N8O18S 866.2964 NA PeJP NA NA +PJ058781 DDEYYY C40H46N6O16 866.297 NA PeJP NA NA +PJ058782 PNDEMMM C33H54N8O13S3 866.2973 NA PeJP NA NA +PJ058783 GSPCDDHH C33H46N12O14S 866.2978 NA PeJP NA NA +PJ058784 APPCCCHH C34H50N12O9S3 866.2986 NA PeJP NA NA +PJ058785 CNNDDMR C30H50N12O14S2 866.3011 NA PeJP NA NA +PJ058786 GGGGGGGGGTCM C30H50N12O14S2 866.3012 NA PeJP NA NA +PJ058787 EMMMYY C38H54N6O11S3 866.3013 NA PeJP NA NA +PJ058788 GSCNDWW C38H46N10O12S 866.3018 NA PeJP NA NA +PJ058789 SCCMMHR C31H54N12O9S4 866.302 NA PeJP NA NA +PJ058790 GSSSNDDW C34H46N10O17 866.3043 NA PeJP NA NA +PJ058791 GNNDMMW C35H50N10O12S2 866.3051 NA PeJP NA NA +PJ058792 GGGNDMMW C35H50N10O12S2 866.3052 NA PeJP NA NA +PJ058793 SCDEEER C31H50N10O17S 866.3076 NA PeJP NA NA +PJ058794 SDDDEMR C31H50N10O17S 866.3077 NA PeJP NA NA +PJ058795 GPDDDYW C39H46N8O15 866.3083 NA PeJP NA NA +PJ058796 PCDDMMR C32H54N10O12S3 866.3085 NA PeJP NA NA +PJ058797 CNNNEHH C32H46N14O13S 866.309 NA PeJP NA NA +PJ058798 PPCCDFW C40H50N8O10S2 866.3092 NA PeJP NA NA +PJ058799 CCCKHHH C33H50N14O8S3 866.3099 NA PeJP NA NA +PJ058800 GSEEEMW C36H50N8O15S 866.3117 NA PeJP NA NA +PJ058801 GSCCNNNR C29H50N14O13S2 866.3124 NA PeJP NA NA +PJ058802 GPDMMMW C37H54N8O10S3 866.3125 NA PeJP NA NA +PJ058803 GSSTEEEE C32H50N8O20 866.3142 NA PeJP NA NA +PJ058804 AQEEEMM C33H54N8O15S2 866.315 NA PeJP NA NA +PJ058805 GAAEEEMM C33H54N8O15S2 866.3151 NA PeJP NA NA +PJ058806 NNNNNDY C33H46N12O16 866.3155 NA PeJP NA NA +PJ058807 DEMFYY C41H50N6O13S 866.3157 NA PeJP NA NA +PJ058808 GPPTCMMM C34H58N8O10S4 866.3159 NA PeJP NA NA +PJ058809 GCCNERW C34H50N12O11S2 866.3164 NA PeJP NA NA +PJ058810 GSSCNDER C30H50N12O16S 866.3189 NA PeJP NA NA +PJ058811 GNNDDFW C38H46N10O14 866.3195 NA PeJP NA NA +PJ058812 GGGGGDDFW C38H46N10O14 866.3196 NA PeJP NA NA +PJ058813 GSPCCNMR C31H54N12O11S3 866.3198 NA PeJP NA NA +PJ058814 CNQMWW C39H50N10O9S2 866.3204 NA PeJP NA NA +PJ058815 SSNNEMW C35H50N10O14S 866.3229 NA PeJP NA NA +PJ058816 PCCCQKW C36H54N10O9S3 866.3238 NA PeJP NA NA +PJ058817 GCNNHHW C36H46N14O10S 866.3242 NA PeJP NA NA +PJ058818 GGGCNHHW C36H46N14O10S 866.3243 NA PeJP NA NA +PJ058819 SSSSNQEE C31H50N10O19 866.3254 NA PeJP NA NA +PJ058820 GDEEMMR C32H54N10O14S2 866.3263 NA PeJP NA NA +PJ058821 GSSNNDHH C32H46N14O15 866.3267 NA PeJP NA NA +PJ058822 GGGSSNDHH C32H46N14O15 866.3268 NA PeJP NA NA +MJ096499 Napsamycin B C40H50N8O12S 866.326889 NA MeJP NA NA +PJ058823 SEEMWW C40H50N8O12S 866.3269 NA PeJP NA NA +PJ058824 SCKMMMH C33H58N10O9S4 866.3271 NA PeJP NA NA +PJ058825 PCCDHHR C33H50N14O10S2 866.3276 NA PeJP NA NA +PJ058826 SSTEEEW C36H50N8O17 866.3294 NA PeJP NA NA +PJ058827 AAEEMMW C37H54N8O12S2 866.3303 NA PeJP NA NA +PJ058828 GSDEHHW C37H46N12O13 866.3308 NA PeJP NA NA +PJ058829 CCNRWW C38H50N12O8S2 866.3316 NA PeJP NA NA +C14816 Sch 59884 C41H49F2N8O9P 866.3328 NA KEGG NA NA +PJ058830 SDKEEEM C33H54N8O17S 866.3328 NA PeJP NA NA +PJ058831 TEEYYY C41H50N6O15 866.3334 NA PeJP NA NA +PJ058832 PTQEMMM C34H58N8O12S3 866.3337 NA PeJP NA NA +PJ058833 SSCNDRW C34H50N12O13S 866.3341 NA PeJP NA NA +PJ058834 GGGGGGNNMF C34H50N12O13S 866.3342 NA PeJP NA NA +PJ058835 PMMYYY C42H54N6O10S2 866.3343 NA PeJP NA NA +PJ058836 ACCMHFR C35H54N12O8S3 866.335 NA PeJP NA NA +PJ058837 SSSSNDDR C30H50N12O18 866.3366 NA PeJP NA NA +PJ058838 GGGGGGGSSSST C30H50N12O18 866.3367 NA PeJP NA NA +PJ058839 SNNDMMR C31H54N12O13S2 866.3375 NA PeJP NA NA +PJ058840 GSSNMWW C39H50N10O11S 866.3382 NA PeJP NA NA +PJ058841 ANNQEEY C35H50N10O16 866.3406 NA PeJP NA NA +PJ058842 GSSSSQEW C35H50N10O16 866.3407 NA PeJP NA NA +PJ058843 DEMMRW C36H54N10O11S2 866.3415 NA PeJP NA NA +PJ058844 GGGGGGPMMF C36H54N10O11S2 866.3416 NA PeJP NA NA +PJ058845 PCEFWW C44H50N8O9S 866.3422 NA PeJP NA NA +PJ058846 SSEEEMR C32H54N10O16S 866.344 NA PeJP NA NA +PJ058847 GSPEEYW C40H50N8O14 866.3447 NA PeJP NA NA +PJ058848 SPDMMMR C33H58N10O11S3 866.3449 NA PeJP NA NA +PJ058849 GDDMHHR C33H50N14O12S 866.3454 NA PeJP NA NA +PJ058850 APPCMYW C41H54N8O9S2 866.3455 NA PeJP NA NA +PJ058851 VDMMWW C41H54N8O9S2 866.3456 NA PeJP NA NA +PJ058852 SDHHWW C41H46N12O10 866.346 NA PeJP NA NA +PJ058853 STCLEEW C37H54N8O14S 866.348 NA PeJP NA NA +PJ058854 ATTEEMW C37H54N8O14S 866.3481 NA PeJP NA NA +PJ058855 PDFYYY C45H50N6O12 866.3487 NA PeJP NA NA +PJ058856 GGSCCERR C30H54N14O12S2 866.3488 NA PeJP NA NA +PJ058857 APTMMMW C38H58N8O9S3 866.3489 NA PeJP NA NA +PJ058858 QEMHHW C38H50N12O10S 866.3494 NA PeJP NA NA +PJ058859 SSSSLEEE C33H54N8O19 866.3505 NA PeJP NA NA +PJ058860 GTTTTEEE C33H54N8O19 866.3506 NA PeJP NA NA +PJ058861 AKEEEMM C34H58N8O14S2 866.3514 NA PeJP NA NA +PJ058862 GNNDERY C34H50N12O15 866.3519 NA PeJP NA NA +PJ058863 VEMYYY C42H54N6O12S 866.3521 NA PeJP NA NA +PJ058864 PVQMMMM C35H62N8O9S4 866.3523 NA PeJP NA NA +PJ058865 GSCQMRW C35H54N12O10S2 866.3528 NA PeJP NA NA +PJ058866 GNEHHHH C35H46N16O11 866.3532 NA PeJP NA NA +PJ058867 GGGEHHHH C35H46N16O11 866.3533 NA PeJP NA NA +PJ058868 CQHFFW C43H50N10O8S 866.3534 NA PeJP NA NA +PJ058869 GSSSNEMR C31H54N12O15S 866.3553 NA PeJP NA NA +PJ058870 SSSSQWW C39H50N10O13 866.3559 NA PeJP NA NA +PJ058871 GNQMMMR C32H58N12O10S3 866.3561 NA PeJP NA NA +PJ058872 GGGGAMMMR C32H58N12O10S3 866.3562 NA PeJP NA NA +PJ058873 SCNNHHR C32H50N16O11S 866.3566 NA PeJP NA NA +PJ058874 CNKMWW C40H54N10O8S2 866.3568 NA PeJP NA NA +PJ058875 SSNDKMW C36H54N10O13S 866.3593 NA PeJP NA NA +PJ058876 SPEYWW C44H50N8O11 866.3599 NA PeJP NA NA +PJ058877 PCCCKKW C37H58N10O8S3 866.3602 NA PeJP NA NA +PJ058878 CEHHRW C37H50N14O9S 866.3606 NA PeJP NA NA +PJ058879 SSSSNKEE C32H54N10O18 866.3618 NA PeJP NA NA +PJ058880 TTQQQMM C33H58N10O13S2 866.3626 NA PeJP NA NA +PJ058881 ATEEMMR C33H58N10O13S2 866.3627 NA PeJP NA NA +PJ058882 SSDEHHR C33H50N14O14 866.3631 NA PeJP NA NA +PJ058883 GGGGGGGSPQH C33H50N14O14 866.3632 NA PeJP NA NA +PJ058884 AAPEMYW C41H54N8O11S 866.3633 NA PeJP NA NA +PJ058885 APMMMMR C34H62N10O8S4 866.3635 NA PeJP NA NA +PJ058886 GSCCRRW C34H54N14O9S2 866.364 NA PeJP NA NA +PJ058887 AMHHWW C42H50N12O7S 866.3647 NA PeJP NA NA +PJ058888 TTTTEEW C37H54N8O16 866.3658 NA PeJP NA NA +PJ058889 GSSSCDRR C30H54N14O14S 866.3665 NA PeJP NA NA +PJ058890 GTLEMMW C38H58N8O11S2 866.3667 NA PeJP NA NA +PJ058891 NNDRYW C38H50N12O12 866.3671 NA PeJP NA NA +PJ058892 GGNDRYW C38H50N12O12 866.3672 NA PeJP NA NA +PJ058893 PMFFYY C46H54N6O9S 866.3673 NA PeJP NA NA +PJ058894 GCNMMRR C31H58N14O9S3 866.3674 NA PeJP NA NA +PJ058895 NHHHHW C39H46N16O8 866.3685 NA PeJP NA NA +PJ058896 TTKEEEM C34H58N8O16S 866.3692 NA PeJP NA NA +PJ058897 PTKEMMM C35H62N8O11S3 866.37 NA PeJP NA NA +PJ058898 VVQEMMM C35H62N8O11S3 866.3701 NA PeJP NA NA +PJ058899 SSSNMRW C35H54N12O12S 866.3705 NA PeJP NA NA +PJ058900 GGGGGGGACKF C35H54N12O12S 866.3706 NA PeJP NA NA +PJ058901 LMMFYY C43H58N6O9S2 866.3707 NA PeJP NA NA +PJ058902 GQQYWW C43H50N10O10 866.3712 NA PeJP NA NA +PJ058903 SSSSSQER C31H54N12O17 866.373 NA PeJP NA NA +PJ058904 SSQQMMR C32H58N12O12S2 866.3739 NA PeJP NA NA +PJ058905 GSTCKWW C40H54N10O10S 866.3745 NA PeJP NA NA +PJ058906 GGGPCKYW C40H54N10O10S 866.3746 NA PeJP NA NA +PJ058907 GSSSSKEW C36H54N10O15 866.377 NA PeJP NA NA +PJ058908 GVDEERY C36H54N10O15 866.3771 NA PeJP NA NA +PJ058909 GSQKMMW C37H58N10O10S2 866.3779 NA PeJP NA NA +PJ058910 GNQQHHF C37H50N14O11 866.3784 NA PeJP NA NA +PJ058911 PCLYWW C45H54N8O8S 866.3786 NA PeJP NA NA +PJ058912 TTTEEMR C33H58N10O15S 866.3804 NA PeJP NA NA +PJ058913 LQEEYW C41H54N8O13 866.3811 NA PeJP NA NA +PJ058914 GLEMMMR C34H62N10O10S3 866.3813 NA PeJP NA NA +PJ058915 SNNKMHH C34H54N14O11S 866.3817 NA PeJP NA NA +PJ058916 GCNDFRR C34H54N14O11S 866.3818 NA PeJP NA NA +PJ058917 TLMMWW C42H58N8O8S2 866.3819 NA PeJP NA NA +PJ058918 TTHHWW C42H50N12O9 866.3824 NA PeJP NA NA +PJ058919 STTLEMW C38H58N8O13S 866.3844 NA PeJP NA NA +PJ058920 GAALEEMF C38H58N8O13S 866.3845 NA PeJP NA NA +PJ058921 PVYYYY C46H54N6O11 866.3851 NA PeJP NA NA +PJ058922 GVLMMMW C39H62N8O8S3 866.3853 NA PeJP NA NA +PJ058923 NNMFRW C39H54N12O9S 866.3858 NA PeJP NA NA +PJ058924 SSTTTLEE C34H58N8O18 866.3869 NA PeJP NA NA +PJ058925 SLKEEMM C35H62N8O13S2 866.3878 NA PeJP NA NA +PJ058926 GSSSSTRW C35H54N12O14 866.3883 NA PeJP NA NA +PJ058927 PVKMMMM C36H66N8O8S4 866.3887 NA PeJP NA NA +PJ058928 ATCCKRW C36H58N12O9S2 866.3891 NA PeJP NA NA +PJ058929 GSCKMRW C36H58N12O9S2 866.3892 NA PeJP NA NA +PJ058930 GDKHHHH C36H50N16O10 866.3896 NA PeJP NA NA +PJ058931 CKHFFW C44H54N10O7S 866.3898 NA PeJP NA NA +PJ058932 GSSTTQMR C32H58N12O14S 866.3916 NA PeJP NA NA +PJ058933 GSSSDKMR C32H58N12O14S 866.3917 NA PeJP NA NA +PJ058934 SSSSKWW C40H54N10O12 866.3923 NA PeJP NA NA +PJ058935 GNKMMMR C33H62N12O9S3 866.3925 NA PeJP NA NA +PJ058936 PMMFRW C41H58N10O7S2 866.3932 NA PeJP NA NA +MJ096500 Fevicordin F; 22-Ketone, O25-Ac, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C43H62O18 866.393615 NA MeJP NA NA +MJ096501 Fevicordin F; 6,7-Didehydro, 25-Ac, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C43H62O18 866.393615 NA MeJP NA NA +PJ058937 GPPHHHW C41H50N14O8 866.3937 NA PeJP NA NA +PJ058938 SSTQKMW C37H58N10O12S 866.3957 NA PeJP NA NA +MJ096502 Ostreogrycin B C45H54N8O10 866.396289 NA MeJP NA NA +C11615 Pristinamycin IA C45H54N8O10 866.3963 NA KEGG NA NA +PJ058939 ALEYWW C45H54N8O10 866.3963 NA PeJP NA NA +PJ058940 SSCCRRR C30H58N16O10S2 866.3964 NA PeJP NA NA +PJ058941 LMMMRW C38H62N10O7S3 866.3965 NA PeJP NA NA +PJ058942 TMHHRW C38H54N14O8S 866.397 NA PeJP NA NA +PJ058943 SSSSDKKE C33H58N10O17 866.3982 NA PeJP NA NA +PJ058944 STLEMMR C34H62N10O12S2 866.399 NA PeJP NA NA +PJ058945 GGSKKEMM C34H62N10O12S2 866.3991 NA PeJP NA NA +PJ058946 GSNDRRY C34H54N14O13 866.3995 NA PeJP NA NA +PJ058947 GGGGGGGGAALH C34H54N14O13 866.3996 NA PeJP NA NA +PJ058948 GPTLMYW C42H58N8O10S 866.3997 NA PeJP NA NA +PJ058949 PFFFFY C50H54N6O8 866.4003 NA PeJP NA NA +PJ058950 GVMMHHR C35H58N14O8S2 866.4004 NA PeJP NA NA +PJ058951 GSHHHHR C35H50N18O9 866.4009 NA PeJP NA NA +PJ058952 GLKEEEY C38H58N8O15 866.4022 NA PeJP NA NA +PJ058953 GSSSSMRR C31H58N14O13S 866.4029 NA PeJP NA NA +MJ096503 3-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Benzyl glycoside, 2,2',3',4,4'-pentabenzyl C54H58O10 866.402998 NA MeJP NA NA +PJ058954 SSLLMMW C39H62N8O10S2 866.4031 NA PeJP NA NA +PJ058955 SQQRYW C39H54N12O11 866.4035 NA PeJP NA NA +PJ058956 GGGPKEHW C39H54N12O11 866.4036 NA PeJP NA NA +PJ058957 LMFFFY C47H58N6O8S 866.4037 NA PeJP NA NA +PJ058958 ACCKMRR C32H62N14O8S3 866.4038 NA PeJP NA NA +3724 NA WWPKHGG 866.404 ACE inhibitor Inhouse_peptide NA peptide +PJ058959 SSSTLLEM C35H62N8O15S 866.4056 NA PeJP NA NA +PJ058960 VVKEMMM C36H66N8O10S3 866.4064 NA PeJP NA NA +PJ058961 SSTCKRW C36H58N12O11S 866.4069 NA PeJP NA NA +PJ058962 ANKYWW C44H54N10O9 866.4075 NA PeJP NA NA +PJ058963 GQKYWW C44H54N10O9 866.4076 NA PeJP NA NA +PJ058964 SSSSSKER C32H58N12O16 866.4094 NA PeJP NA NA +PJ058965 SSQKMMR C33H62N12O11S2 866.4103 NA PeJP NA NA +PJ058966 GNQQQHR C33H54N16O12 866.4107 NA PeJP NA NA +PJ058967 GGGQQQHR C33H54N16O12 866.4108 NA PeJP NA NA +PJ058968 VEMFRW C41H58N10O9S 866.4109 NA PeJP NA NA +PJ058969 MMHHRR C34H58N16O7S2 866.4116 NA PeJP NA NA +MJ096504 Physalemin-like immunoreactive peptide 7; 7-L-Alanyl C37H58N10O14 866.413396 NA MeJP NA NA +PJ058970 GSSTTTKW C37H58N10O14 866.4134 NA PeJP NA NA +PJ058971 GGGPPPKEE C37H58N10O14 866.4135 NA PeJP NA NA +PJ058972 GSKKMMW C38H62N10O9S2 866.4143 NA PeJP NA NA +PJ058973 GSPQHRW C38H54N14O10 866.4148 NA PeJP NA NA +PJ058974 VVMFWW C46H58N8O7S 866.415 NA PeJP NA NA +PJ058975 GSSTKKEM C34H62N10O14S 866.4168 NA PeJP NA NA +PJ058976 SPTTLYW C42H58N8O12 866.4174 NA PeJP NA NA +PJ058977 LKEEYW C42H58N8O12 866.4175 NA PeJP NA NA +PJ058978 SVLMMMR C35H66N10O9S3 866.4177 NA PeJP NA NA +PJ058979 NQMRRY C35H58N14O10S 866.4181 NA PeJP NA NA +PJ058980 GGGAMRRY C35H58N14O10S 866.4182 NA PeJP NA NA +PJ058981 PNKHWW C43H54N12O8 866.4188 NA PeJP NA NA +PJ058982 SSSSSTRR C31H58N14O15 866.4206 NA PeJP NA NA +PJ058983 SPLKEMY C39H62N8O12S 866.4208 NA PeJP NA NA +PJ058984 VLFYYY C47H58N6O10 866.4215 NA PeJP NA NA +PJ058985 GNNNHRR C32H54N18O11 866.422 NA PeJP NA NA +PJ058986 CQKFRW C40H58N12O8S 866.4222 NA PeJP NA NA +PJ058987 TTTTTTLE C35H62N8O17 866.4233 NA PeJP NA NA +PJ058988 GTTTLLMM C36H66N8O12S2 866.4242 NA PeJP NA NA +PJ058989 GSQKERY C36H58N12O13 866.4247 NA PeJP NA NA +PJ058990 PPVMMHR C37H62N12O8S2 866.4255 NA PeJP NA NA +PJ058991 DHHFRR C37H54N16O9 866.426 NA PeJP NA NA +PJ058992 GSSTTKMR C33H62N12O13S 866.428 NA PeJP NA NA +PJ058993 TLERYW C41H58N10O11 866.4287 NA PeJP NA NA +PJ058994 ACKKMMR C34H66N12O8S3 866.4289 NA PeJP NA NA +PJ058995 CNRRRY C34H58N16O9S 866.4294 NA PeJP NA NA +MJ096505 Bryostatin 5 C44H66O17 866.43 NA MeJP NA NA +MJ096506 Mycalolide A; O-De-Ac C45H62N4O13 866.431338 NA MeJP NA NA +PJ058996 SSTKKMW C38H62N10O11S 866.432 NA PeJP NA NA +PJ058997 GVLEMRY C38H62N10O11S 866.4321 NA PeJP NA NA +MJ096507 Ferintoic acid A C46H58N8O9 866.432675 NA MeJP NA NA +PJ058998 SLLYWW C46H58N8O9 866.4327 NA PeJP NA NA +PJ058999 STTTTTQK C34H62N10O16 866.4345 NA PeJP NA NA +PJ059000 SSSTTKKE C34H62N10O16 866.4346 NA PeJP NA NA +PJ059001 SDKKKMM C35H66N10O11S2 866.4354 NA PeJP NA NA +PJ059002 GSTQRRY C35H58N14O12 866.4359 NA PeJP NA NA +PJ059003 AALLMYW C43H62N8O9S 866.4361 NA PeJP NA NA +PJ059004 LFFFFF C51H58N6O7 866.4367 NA PeJP NA NA +PJ059005 SVLKEEY C39H62N8O14 866.4386 NA PeJP NA NA +PJ059006 VVLQMMF C40H66N8O9S2 866.4394 NA PeJP NA NA +PJ059007 PVVKMMY C40H66N8O9S2 866.4395 NA PeJP NA NA +PJ059008 SQKRYW C40H58N12O10 866.4399 NA PeJP NA NA +PJ059009 STTTTLLM C36H66N8O14S 866.4419 NA PeJP NA NA +PJ059010 TLLKMMM C37H70N8O9S3 866.4428 NA PeJP NA NA +PJ059011 LEMRRY C37H62N12O10S 866.4433 NA PeJP NA NA +PJ059012 GKKYWW C45H58N10O8 866.4439 NA PeJP NA NA +PJ059013 GPPFFFR C45H58N10O8 866.444 NA PeJP NA NA +PJ059014 SSSTTTKR C33H62N12O15 866.4458 NA PeJP NA NA +PJ059015 SSKKMMR C34H66N12O10S2 866.4467 NA PeJP NA NA +PJ059016 AAQEHRR C34H58N16O11 866.4471 NA PeJP NA NA +PJ059017 GGGVEHRR C34H58N16O11 866.4472 NA PeJP NA NA +PJ059018 VLMRYW C42H62N10O8S 866.4473 NA PeJP NA NA +PJ059019 SSLLERY C38H62N10O13 866.4498 NA PeJP NA NA +PJ059020 GLLMMFR C39H66N10O8S2 866.4507 NA PeJP NA NA +PJ059021 GSPKHRW C39H58N14O9 866.4512 NA PeJP NA NA +PJ059022 SSSSLKKM C35H66N10O13S 866.4532 NA PeJP NA NA +PJ059023 ATTLLYW C43H62N8O11 866.4538 NA PeJP NA NA +PJ059024 GAALLEFF C43H62N8O11 866.4539 NA PeJP NA NA +PJ059025 AKKKMMM C36H70N10O8S3 866.4541 NA PeJP NA NA +PJ059026 NKMRRY C36H62N14O9S 866.4545 NA PeJP NA NA +PJ059027 LKHHFW C44H58N12O7 866.4552 NA PeJP NA NA +PJ059028 ALLKEMY C40H66N8O11S 866.4572 NA PeJP NA NA +PJ059029 NEHRRR C33H58N18O10 866.4584 NA PeJP NA NA +PJ059030 CKKFRW C41H62N12O7S 866.4586 NA PeJP NA NA +MJ096508 12-Hydroxydaphnetoxin; 12?-form, 12-Cinnamoyl, 20-hexadecanoyl C52H66O11 866.460512 NA MeJP NA NA +PJ059031 ASDKKRY C37H62N12O12 866.461 NA PeJP NA NA +PJ059032 GSKKERY C37H62N12O12 866.4611 NA PeJP NA NA +PJ059033 VNHRRW C38H58N16O8 866.4624 NA PeJP NA NA +PJ059034 DKKKYW C42H62N10O10 866.4651 NA PeJP NA NA +PJ059035 APCKHRR C35H62N16O8S 866.4658 NA PeJP NA NA +MJ096509 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[6-O-Malonyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C45H70O16 866.466386 NA MeJP NA NA +MJ096510 3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] C45H70O16 866.466386 NA MeJP NA NA +PJ059036 ATLLMRY C39H66N10O10S 866.4684 NA PeJP NA NA +PJ059037 GGALKKMY C39H66N10O10S 866.4685 NA PeJP NA NA +PJ059038 AALLFFW C47H62N8O8 866.4691 NA PeJP NA NA +PJ059039 STTTTTKK C35H66N10O15 866.4709 NA PeJP NA NA +PJ059040 TTKKKMM C36H70N10O10S2 866.4718 NA PeJP NA NA +PJ059041 GSTKRRY C36H62N14O11 866.4723 NA PeJP NA NA +PJ059042 PVVKMFF C44H66N8O8S 866.4725 NA PeJP NA NA +PJ059043 GHRRRW C37H58N18O7 866.4736 NA PeJP NA NA +PJ059044 TTLLKEY C40H66N8O13 866.475 NA PeJP NA NA +PJ059045 VVLKMMF C41H70N8O8S2 866.4758 NA PeJP NA NA +PJ059046 SKKRYW C41H62N12O9 866.4763 NA PeJP NA NA +PJ059047 AAKKMRY C38H66N12O9S 866.4797 NA PeJP NA NA +PJ059048 LLLHWW C46H62N10O7 866.4803 NA PeJP NA NA +C16839 Brevetoxin A C49H70O13 866.4816 NA KEGG NA NA +MJ096511 Brevetoxin A C49H70O13 866.481642 NA MeJP NA NA +PJ059049 GPPERRR C35H62N16O10 866.4835 NA PeJP NA NA +PJ059050 KKKMFW C43H66N10O7S 866.4837 NA PeJP NA NA +PJ059051 TTTLLRY C39H66N10O12 866.4862 NA PeJP NA NA +PJ059052 LQKHRW C40H62N14O8 866.4875 NA PeJP NA NA +PJ059053 GPPVRRW C40H62N14O8 866.4876 NA PeJP NA NA +PJ059054 PPLLLEW C44H66N8O10 866.4902 NA PeJP NA NA +PJ059055 APKKMHR C37H66N14O8S 866.4909 NA PeJP NA NA +PJ059056 SLLLKMY C41H70N8O10S 866.4936 NA PeJP NA NA +PJ059057 DKHRRR C34H62N18O9 866.4948 NA PeJP NA NA +PJ059058 ATTKKRY C38H66N12O11 866.4974 NA PeJP NA NA +PJ059059 AAPPVKER C38H66N12O11 866.4975 NA PeJP NA NA +PJ059060 PPRRRW C39H62N16O7 866.4988 NA PeJP NA NA +PJ059061 SVLLLHW C43H66N10O9 866.5015 NA PeJP NA NA +MJ096512 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Ribopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-xylopyranoside] C46H74O15 866.502771 NA MeJP NA NA +MJ096513 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Ribopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C46H74O15 866.502771 NA MeJP NA NA +MJ096514 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C46H74O15 866.502771 NA MeJP NA NA +PJ059062 GLKKKMY C40H70N10O9S 866.5048 NA PeJP NA NA +PJ059063 SHRRRR C33H62N20O8 866.506 NA PeJP NA NA +PJ059064 PPVDKRR C37H66N14O10 866.5087 NA PeJP NA NA +PJ059065 SPPVLLLE C41H70N8O12 866.5114 NA PeJP NA NA +PJ059066 APPLKRW C42H66N12O8 866.5127 NA PeJP NA NA +PJ059067 VVLLMHR C39H70N12O8S 866.5161 NA PeJP NA NA +PJ059068 SPPVRRR C36H66N16O9 866.5199 NA PeJP NA NA +PJ059069 STLKKKY C40H70N10O11 866.5226 NA PeJP NA NA +PJ059070 LKKHRW C41H66N14O7 866.5239 NA PeJP NA NA +PJ059071 ALLLKFY C45H70N8O9 866.5266 NA PeJP NA NA +PJ059072 APPLLLLM C42H74N8O9S 866.53 NA PeJP NA NA +PJ059073 PPLKKER C39H70N12O10 866.5338 NA PeJP NA NA +PJ059074 AVKKKFF C44H70N10O8 866.5378 NA PeJP NA NA +PJ059075 PPVLKKW C44H70N10O8 866.5379 NA PeJP NA NA +MJ096515 Annorumin C47H78O14 866.539157 NA MeJP NA NA +MJ096516 Antibiotic CP 80219 C47H78O14 866.539157 NA MeJP NA NA +MJ096517 Dianemycin C47H78O14 866.539157 NA MeJP NA NA +MJ096518 Endusamycin C47H78O14 866.539157 NA MeJP NA NA +C12047 Nanchangmycin C47H78O14 866.5392 NA KEGG NA NA +PJ059076 LLLLKMH C41H74N10O8S 866.5412 NA PeJP NA NA +PJ059077 PPTLKRR C38H70N14O9 866.5451 NA PeJP NA NA +PJ059078 APVLLLLE C42H74N8O11 866.5477 NA PeJP NA NA +PJ059079 GPLLLLLE C42H74N8O11 866.5478 NA PeJP NA NA +PJ059080 GPLLRRR C37H70N16O8 866.5563 NA PeJP NA NA +PJ059081 APPTLLKK C41H74N10O10 866.559 NA PeJP NA NA +PJ059082 PLLLLLW C46H74N8O8 866.563 NA PeJP NA NA +PJ059083 PLLLQKR C40H74N12O9 866.5702 NA PeJP NA NA +MJ096519 Ritterazine B; 7',17'-Dideoxy C54H78N2O7 866.580902 NA MeJP NA NA +MJ096520 Ritterazine P C54H78N2O7 866.580902 NA MeJP NA NA +PJ059084 AKKKKKH C39H74N14O8 866.5814 NA PeJP NA NA +PJ059085 PVVLKRR C39H74N14O8 866.5815 NA PeJP NA NA +PJ059086 SPVLLLLL C43H78N8O10 866.5841 NA PeJP NA NA +HMDB09785 PI(16:0/20:0) C45H87O13P 866.58844 NA HMDB2010 NA NA +HMDB09808 PI(18:0/18:0) C45H87O13P 866.58844 NA HMDB2010 NA NA +HMDB09866 PI(20:0/16:0) C45H87O13P 866.58844 NA HMDB2010 NA NA +PJ059087 GPVLLLKK C42H78N10O9 866.5954 NA PeJP NA NA +MJ096521 2,2'-Bis(4-hydroxy-3-methyl-2-butenyl)-?,?-carotene; O-?-D-Glucopyranoside C56H82O7 866.606054 NA MeJP NA NA +MJ096522 2-(4-Hydroxy-3-methyl-2-butenyl)-2'-(3-methyl-2-butenyl)-3',4'-didehydro-1',2'-dihydro-?,?-caroten-1'-ol; ?5,6-Isomer, 4''-O-?-D-glucopyranoside C56H82O7 866.606054 NA MeJP NA NA +MJ096523 Decaprenoxanthin; Mono-O-?-D-Glucopyranoside C56H82O7 866.606054 NA MeJP NA NA +MJ096524 Sarcinaxanthin; Mono-O-?-D-Glucopyranoside C56H82O7 866.606054 NA MeJP NA NA +PJ059088 PLLLKKR C41H78N12O8 866.6066 NA PeJP NA NA +PJ059089 GLLLLLLL C44H82N8O9 866.6205 NA PeJP NA NA +MJ096525 Glycerol tri-9,11,13,15-octadecatetraenoate C57H86O6 866.64244 NA MeJP NA NA +MetaCyc04209 ubiquinol-10 [ubiquinol(10);] C59H94O4 866.715212 NA metacyc NA NA +MJ096526 Technetium mebrofenin C30H34Br2N4O10Tc(-) 866.979209 NA MeJP NA NA +HMDB01022 Succinyl-CoA C25H40N7O19P3S 867.131226 NA HMDB2010 NA NA +HMDB01269 Methylmalonyl-CoA C25H40N7O19P3S 867.131226 NA HMDB2010 NA NA +HMDB02255 R-Methylmalonyl-CoA C25H40N7O19P3S 867.131226 NA HMDB2010 NA NA +HMDB02310 S-Methylmalonyl-CoA C25H40N7O19P3S 867.131226 NA HMDB2010 NA NA +HMDB01022 Succinyl-CoA C25H40N7O19P3S 867.13123 http://www.hmdb.ca/metabolites/HMDB01022 HMDB NA NA +HMDB01269 Methylmalonyl-CoA C25H40N7O19P3S 867.13123 http://www.hmdb.ca/metabolites/HMDB01269 HMDB NA NA +HMDB02255 R-Methylmalonyl-CoA C25H40N7O19P3S 867.13123 http://www.hmdb.ca/metabolites/HMDB02255 HMDB NA NA +HMDB02310 S-Methylmalonyl-CoA C25H40N7O19P3S 867.13123 http://www.hmdb.ca/metabolites/HMDB02310 HMDB NA NA +HMDB01022 Succinyl-CoA C25H40N7O19P3S 867.13123 HMDB01022 PFEM_hmdb_metabocards_official NA NA +HMDB01269 Methylmalonyl-CoA C25H40N7O19P3S 867.13123 HMDB01269 PFEM_hmdb_metabocards_official NA NA +HMDB02255 R-Methylmalonyl-CoA C25H40N7O19P3S 867.13123 HMDB02255 PFEM_hmdb_metabocards_official NA NA +HMDB02310 S-Methylmalonyl-CoA C25H40N7O19P3S 867.13123 HMDB02310 PFEM_hmdb_metabocards_official NA NA +MJ096527 (R)-2-Methyl-3-oxopropanoyl-CoA C25H40N7O19P3S 867.131252 NA MeJP NA NA +MJ096528 (S)-2-Methyl-3-oxopropanoyl-CoA C25H40N7O19P3S 867.131252 NA MeJP NA NA +MJ096529 Methylmalonyl-CoA C25H40N7O19P3S 867.131252 NA MeJP NA NA +MJ096530 Succinyl-CoA C25H40N7O19P3S 867.131252 NA MeJP NA NA +MetaCyc04210 succinyl-CoA [suc-coa;succ-coenzyme-A;succ-S-coenzyme-A;succinyl-S-coenzyme-A;succ-S-CoA;succinylcoenzyme-A;succ-CoA;suc-co-A;succinyl-S-CoA;] C25H40N7O19P3S1 867.131252 604-98-8 metacyc NA NA +MetaCyc04211 (R)-methylmalonyl-CoA [L-methylmalonyl-CoA;methylmalonyl-CoA;methyl-malonyl-coenzyme A;CH3-malonyl-CoA;] C25H40N7O19P3S1 867.131252 NA metacyc NA NA +MetaCyc04212 (S)-methyl-malonyl-CoA [D-methylmalonyl-CoA;methyl-malonyl-coenzyme A;CH3-malonyl-CoA;] C25H40N7O19P3S1 867.131252 104809-02-1 metacyc NA NA +C00091 Succinyl-CoA C25H40N7O19P3S 867.1313 NA KEGG NA NA +C00683 (S)-Methylmalonyl-CoA C25H40N7O19P3S 867.1313 NA KEGG NA NA +C01213 (R)-Methylmalonyl-CoA C25H40N7O19P3S 867.1313 NA KEGG NA NA +C02557 Methylmalonyl-CoA C25H40N7O19P3S 867.1313 NA KEGG NA NA +PJ059090 CCCCCCCQ C26H45N9O10S7 867.1335 NA PeJP NA NA +PJ059091 GSSCCCCCC C26H45N9O12S6 867.1512 NA PeJP NA NA +C03237 5-Hydroxypentanoyl-CoA C26H44N7O18P3S 867.1676 NA KEGG NA NA +C04405 (2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA C26H44N7O18P3S 867.1676 NA KEGG NA NA +C04408 2',3'-Cyclicphosphooligoribonucleotide C10H16O12P2R2 867.1676 NA KEGG NA NA +C05998 3-Hydroxyisovaleryl-CoA C26H44N7O18P3S 867.1676 NA KEGG NA NA +MJ096531 (2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA C26H44N7O18P3S 867.167637 NA MeJP NA NA +MetaCyc04213 5-hydroxypentanoyl-CoA [] C26H44N7O18P3S1 867.167638 NA metacyc NA NA +MetaCyc04214 3-hydroxyisovaleryl-CoA [3-hydroxy-isovaleryl-coa;3-hydroxy-iso-valeryl-CoA;] C26H44N7O18P3S1 867.167638 NA metacyc NA NA +MetaCyc04215 2-methyl-3-hydroxybutyryl-CoA [(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA;(2S,3S)-3-hydroxy-2-methylbutyryl-CoA;(S)-3-hydroxy-2-methylbutyryl-CoA;3-hydroxy-2-methylbutyryl-CoA;] C26H44N7O18P3S1 867.167638 NA metacyc NA NA +HMDB01356 2-Methyl-3-hydroxybutyryl-CoA C26H44N7O18P3S 867.16766 http://www.hmdb.ca/metabolites/HMDB01356 HMDB NA NA +HMDB06870 3-Hydroxyisovaleryl-CoA C26H44N7O18P3S 867.16766 http://www.hmdb.ca/metabolites/HMDB06870 HMDB NA NA +HMDB01356 2-Methyl-3-hydroxybutyryl-CoA C26H44N7O18P3S 867.16766 HMDB01356 PFEM_hmdb_metabocards_official NA NA +HMDB06870 3-Hydroxyisovaleryl-CoA C26H44N7O18P3S 867.16766 HMDB06870 PFEM_hmdb_metabocards_official NA NA +HMDB01356 2-Methyl-3-hydroxybutyryl-CoA C26H44N7O18P3S 867.167664 NA HMDB2010 NA NA +HMDB06870 3-Hydroxyisovaleryl-CoA C26H44N7O18P3S 867.167664 NA HMDB2010 NA NA +PJ059092 CCCCCCCK C27H49N9O9S7 867.1699 NA PeJP NA NA +PJ059093 GCCCCCNY C30H45N9O11S5 867.1842 NA PeJP NA NA +PJ059094 GGGCCCCCY C30H45N9O11S5 867.1843 NA PeJP NA NA +MJ096532 N-[2-[[5-Amino-1-[[4-(4-pyridinyl)-1-piperazinyl]carbonyl]pentyl]amino]-1-[(3,5-dibromo-4-hydroxyphenyl)methyl]-2-oxoethyl]-4-(1,4-dihydro-2-oxo-3(2H)-quinazolinyl)-1-piperidinecarboxamide C38H47Br2N9O5 867.20669 NA MeJP NA NA +PJ059095 CCCDMMY C32H49N7O11S5 867.2094 NA PeJP NA NA +PJ059096 GCCCCNEH C29H45N11O12S4 867.2132 NA PeJP NA NA +PJ059097 GGGCCCCEH C29H45N11O12S4 867.2133 NA PeJP NA NA +PJ059098 GCNDDDDD C29H41N9O20S 867.2189 NA PeJP NA NA +PJ059099 CCCDDFY C35H45N7O13S3 867.2238 NA PeJP NA NA +PJ059100 CCCMMMF C33H53N7O8S6 867.228 NA PeJP NA NA +PJ059101 CCCCNHW C33H45N11O9S4 867.2285 NA PeJP NA NA +PJ059102 SSCCCNDH C29H45N11O14S3 867.231 NA PeJP NA NA +PJ059103 SPCCNDDD C30H45N9O17S2 867.2375 NA PeJP NA NA +PJ059104 CCDEMMH C31H49N9O12S4 867.2384 NA PeJP NA NA +PJ059105 SCCDDYY C35H45N7O15S2 867.2415 NA PeJP NA NA +PJ059106 CCCDMFF C36H49N7O10S4 867.2424 NA PeJP NA NA +PJ059107 CDDEEEE C31H45N7O20S 867.244 NA PeJP NA NA +PJ059108 DDDDEEM C31H45N7O20S 867.2441 NA PeJP NA NA +PJ059109 SCCMMMY C33H53N7O10S5 867.2458 NA PeJP NA NA +PJ059110 GCCNNNDE C29H45N11O16S2 867.2488 NA PeJP NA NA +PJ059111 GSCCCQMH C30H49N11O11S4 867.2496 NA PeJP NA NA +PJ059112 CCDDEHF C34H45N9O14S2 867.2528 NA PeJP NA NA +PJ059113 GPPCCCCW C35H49N9O9S4 867.2537 NA PeJP NA NA +PJ059114 GSNDDDDM C30H45N9O19S 867.2553 NA PeJP NA NA +PJ059115 GPCCNDEM C31H49N9O14S3 867.2562 NA PeJP NA NA +PJ059116 CCCEHHH C32H45N13O10S3 867.2575 NA PeJP NA NA +PJ059117 GCCEMYY C36H49N7O12S3 867.2602 NA PeJP NA NA +PJ059118 GSCCCCHR C29H49N13O10S4 867.2609 NA PeJP NA NA +PJ059119 DDDDDHH C32H41N11O18 867.2632 NA PeJP NA NA +PJ059120 CCNNNDW C33H45N11O13S2 867.264 NA PeJP NA NA +PJ059121 SSCNNNDD C29H45N11O18S 867.2665 NA PeJP NA NA +PJ059122 GPCCCDDR C30H49N11O13S3 867.2674 NA PeJP NA NA +PJ059123 SCNDDEW C34H45N9O16S 867.2705 NA PeJP NA NA +PJ059124 PCCNDMW C35H49N9O11S3 867.2714 NA PeJP NA NA +PJ059125 SSSNDDDE C30H45N9O21 867.273 NA PeJP NA NA +PJ059126 NNDDEMM C31H49N9O16S2 867.2739 NA PeJP NA NA +PJ059127 SCEMMMH C32H53N9O11S4 867.2748 NA PeJP NA NA +PJ059128 CCMYYW C40H49N7O9S3 867.2754 NA PeJP NA NA +PJ059129 PDDDDEY C35H45N7O19 867.2771 NA PeJP NA NA +PJ059130 SSCDMYY C36H49N7O14S2 867.2779 NA PeJP NA NA +PJ059131 ACCMMFY C37H53N7O9S4 867.2788 NA PeJP NA NA +C08326 Anthemis glycoside A C39H49NO21 867.2797 NA KEGG NA NA +PJ059132 SDEEEEM C32H49N7O19S 867.2804 NA PeJP NA NA +PJ059133 PDDEMMM C33H53N7O14S3 867.2813 NA PeJP NA NA +PJ059134 CCNNMHF C34H49N11O10S3 867.2826 NA PeJP NA NA +PJ059135 GGGGCCMHF C34H49N11O10S3 867.2827 NA PeJP NA NA +PJ059136 CNDDDMR C30H49N11O15S2 867.2851 NA PeJP NA NA +PJ059137 GGCDDDMR C30H49N11O15S2 867.2852 NA PeJP NA NA +PJ059138 GSCDDWW C38H45N9O13S 867.2858 NA PeJP NA NA +PJ059139 SPPCCCCR C31H53N11O10S4 867.286 NA PeJP NA NA +PJ059140 APCCCWW C39H49N9O8S3 867.2867 NA PeJP NA NA +PJ059141 GSSSDDDW C34H45N9O18 867.2883 NA PeJP NA NA +PJ059142 GNDDMMW C35H49N9O13S2 867.2892 NA PeJP NA NA +PJ059143 PCCMMHF C36H53N9O8S4 867.29 NA PeJP NA NA +PJ059144 GSSNDEEM C31H49N9O18S 867.2917 NA PeJP NA NA +PJ059145 GSPCNEMM C32H53N9O13S3 867.2925 NA PeJP NA NA +PJ059146 CNNDEHH C32H45N13O14S 867.293 NA PeJP NA NA +PJ059147 GPCCYYY C40H49N7O11S2 867.2932 NA PeJP NA NA +PJ059148 GMMMMMH C33H57N9O8S5 867.2934 NA PeJP NA NA +PJ059149 TCCMHHH C33H49N13O9S3 867.2939 NA PeJP NA NA +MJ096533 Perdeacyleuojaponin; 1-Benzoyl, 2,6,8,9,14-penta-Ac C43H49NO18 867.294963 NA MeJP NA NA +MJ096534 Perdeacyleuojaponin; 14-Benzoyl, 1,2,6,8,9-penta-Ac C43H49NO18 867.294963 NA MeJP NA NA +MJ096535 Perdeacyleuojaponin; 2-Benzoyl, 1,6,8,9,14-penta-Ac C43H49NO18 867.294963 NA MeJP NA NA +MJ096536 Perdeacyleuojaponin; 6-Benzoyl, 1,2,8,9,14-penta-Ac C43H49NO18 867.294963 NA MeJP NA NA +MJ096537 Perdeacyleuojaponin; 8-Epimer, 8-benzoyl, 1,2,6,9,14-penta-Ac C43H49NO18 867.294963 NA MeJP NA NA +MJ096538 Perdeacyleuojaponin; 9-Benzoyl, 1,2,6,8,14-penta-Ac C43H49NO18 867.294963 NA MeJP NA NA +MJ096539 Perdeacylhypoglaunine; 23-Deoxy, 8-benzoyl, 1,2,6,9,14-penta-Ac C43H49NO18 867.294963 NA MeJP NA NA +MJ096540 Perdeacylisowilfordine; 26-Deoxy, 2-benzoyl, 1,6,8,9,14-penta-Ac C43H49NO18 867.294963 NA MeJP NA NA +MJ096541 Perdeacylwilforine; 1-Benzoyl, 2,6,8,9,14-penta-Ac C43H49NO18 867.294963 NA MeJP NA NA +MJ096542 Perdeacylwilforine; 2-Benzoyl, 1,6,8,9,14-penta-Ac C43H49NO18 867.294963 NA MeJP NA NA +PJ059150 PDDDEMF C36H49N7O16S 867.2957 NA PeJP NA NA +PJ059151 GSCCNNDR C29H49N13O14S2 867.2964 NA PeJP NA NA +PJ059152 GTCMMYY C37H53N7O11S3 867.2965 NA PeJP NA NA +PJ059153 AEEEEMM C33H53N7O16S2 867.2991 NA PeJP NA NA +PJ059154 NNNNDDY C33H45N11O17 867.2995 NA PeJP NA NA +PJ059155 GGGGGGGGDDY C33H45N11O17 867.2996 NA PeJP NA NA +PJ059156 GCCDERW C34H49N11O12S2 867.3004 NA PeJP NA NA +PJ059157 GSSCDDER C30H49N11O17S 867.3029 NA PeJP NA NA +PJ059158 GNDDDFW C38H45N9O15 867.3036 NA PeJP NA NA +PJ059159 GSPCCDMR C31H53N11O12S3 867.3038 NA PeJP NA NA +PJ059160 CNEMWW C39H49N9O10S2 867.3044 NA PeJP NA NA +PJ059161 SSNDEMW C35H49N9O15S 867.3069 NA PeJP NA NA +PJ059162 SPCNMMW C36H53N9O10S3 867.3078 NA PeJP NA NA +PJ059163 GCNDHHW C36H45N13O11S 867.3083 NA PeJP NA NA +PJ059164 CCFFYW C44H49N7O8S2 867.3084 NA PeJP NA NA +PJ059165 SSSSNEEE C31H49N9O20 867.3094 NA PeJP NA NA +PJ059166 SNQEEMM C32H53N9O15S2 867.3103 NA PeJP NA NA +PJ059167 GSSNDDHH C32H45N13O16 867.3108 NA PeJP NA NA +PJ059168 NDMYYY C40H49N7O13S 867.3109 NA PeJP NA NA +PJ059169 STMMMMH C33H57N9O10S4 867.3111 NA PeJP NA NA +PJ059170 PNNMMMM C33H57N9O10S4 867.3112 NA PeJP NA NA +PJ059171 GSPCCQHH C33H49N13O11S2 867.3116 NA PeJP NA NA +PJ059172 ACCMFFF C41H53N7O8S3 867.3118 NA PeJP NA NA +PJ059173 SPDEEEY C36H49N7O18 867.3134 NA PeJP NA NA +PJ059174 SSSMMYY C37H53N7O13S2 867.3143 NA PeJP NA NA +PJ059175 CCNNQMR C30H53N13O11S3 867.315 NA PeJP NA NA +PJ059176 CCDRWW C38H49N11O9S2 867.3157 NA PeJP NA NA +PJ059177 TTEEEEM C33H53N7O18S 867.3168 NA PeJP NA NA +PJ059178 PTEEMMM C34H57N7O13S3 867.3177 NA PeJP NA NA +PJ059179 GSSSCNQW C34H49N11O14S 867.3181 NA PeJP NA NA +PJ059180 SSCDDRW C34H49N11O14S 867.3182 NA PeJP NA NA +PJ059181 PPMMMMM C35H61N7O8S5 867.3186 NA PeJP NA NA +PJ059182 PTCCCRW C35H53N11O9S3 867.319 NA PeJP NA NA +PJ059183 GCMWWW C43H49N9O7S2 867.3197 NA PeJP NA NA +PJ059184 SSSSDDDR C30H49N11O19 867.3206 NA PeJP NA NA +PJ059185 GGGSSSSSNE C30H49N11O19 867.3207 NA PeJP NA NA +PJ059186 SNDDMMR C31H53N11O14S2 867.3215 NA PeJP NA NA +PJ059187 GSSDMWW C39H49N9O12S 867.3222 NA PeJP NA NA +PJ059188 PCCQMMR C32H57N11O9S4 867.3224 NA PeJP NA NA +PJ059189 GSSSSEEW C35H49N9O17 867.3247 NA PeJP NA NA +PJ059190 GSQEMMW C36H53N9O12S2 867.3255 NA PeJP NA NA +PJ059191 GGGTEMMW C36H53N9O12S2 867.3256 NA PeJP NA NA +PJ059192 ACYYYW C44H49N7O10S 867.3262 NA PeJP NA NA +PJ059193 GGGGCCCRR C29H53N15O10S3 867.3263 NA PeJP NA NA +PJ059194 GCMHHHF C37H49N13O8S2 867.3269 NA PeJP NA NA +PJ059195 GSSTQEEM C32H53N9O17S 867.328 NA PeJP NA NA +PJ059196 GGGSTTEEM C32H53N9O17S 867.3281 NA PeJP NA NA +PJ059197 EEEEFW C40H49N7O15 867.3287 NA PeJP NA NA +PJ059198 AQQEMMM C33H57N9O12S3 867.3289 NA PeJP NA NA +PJ059199 SNNEMHH C33H49N13O13S 867.3294 NA PeJP NA NA +PJ059200 NMMFYY C41H53N7O10S2 867.3296 NA PeJP NA NA +PJ059201 APEEEMY C37H53N7O15S 867.3321 NA PeJP NA NA +PJ059202 SCCDERR C30H53N13O13S2 867.3328 NA PeJP NA NA +PJ059203 PPDMMMF C38H57N7O10S3 867.3329 NA PeJP NA NA +PJ059204 GCNNQFW C38H49N11O11S 867.3334 NA PeJP NA NA +PJ059205 PCCCMRR C31H57N13O8S4 867.3336 NA PeJP NA NA +PJ059206 SLEEEMM C34H57N7O15S2 867.3354 NA PeJP NA NA +PJ059207 SSSSSNNW C34H49N11O16 867.3359 NA PeJP NA NA +PJ059208 PVEMMMM C35H61N7O10S4 867.3363 NA PeJP NA NA +PJ059209 GSCEMRW C35H53N11O11S2 867.3368 NA PeJP NA NA +PJ059210 GDEHHHH C35H45N15O12 867.3373 NA PeJP NA NA +PJ059211 STCWWW C43H49N9O9S 867.3374 NA PeJP NA NA +PJ059212 GSSSDEMR C31H53N11O16S 867.3393 NA PeJP NA NA +PJ059213 SSSSEWW C39H49N9O14 867.3399 NA PeJP NA NA +PJ059214 GGGGPDDFF C39H49N9O14 867.34 NA PeJP NA NA +PJ059215 ANDMMMR C32H57N11O11S3 867.3401 NA PeJP NA NA +PJ059216 GNEMMMR C32H57N11O11S3 867.3402 NA PeJP NA NA +PJ059217 SCNDHHR C32H49N15O12S 867.3406 NA PeJP NA NA +PJ059218 SQMMWW C40H53N9O9S2 867.3408 NA PeJP NA NA +PJ059219 SSTQEMW C36H53N9O14S 867.3433 NA PeJP NA NA +PJ059220 SSYYYW C44H49N7O12 867.3439 NA PeJP NA NA +PJ059221 GGDFFYY C44H49N7O12 867.344 NA PeJP NA NA +PJ059222 AAQMMMW C37H57N9O9S3 867.3442 NA PeJP NA NA +PJ059223 GSNMHHW C37H49N13O10S 867.3446 NA PeJP NA NA +PJ059224 GGGSMHHW C37H49N13O10S 867.3447 NA PeJP NA NA +PJ059225 SSSSDKEE C32H53N9O19 867.3458 NA PeJP NA NA +MJ096543 Taxol?; N-Me C48H53NO14 867.346605 NA MeJP NA NA +PJ059226 SNKEEMM C33H57N9O14S2 867.3467 NA PeJP NA NA +PJ059227 GSSSQEHH C33H49N13O15 867.3471 NA PeJP NA NA +PJ059228 PNDDDHR C33H49N13O15 867.3472 NA PeJP NA NA +PJ059229 TQMYYY C41H53N7O12S 867.3473 NA PeJP NA NA +PJ059230 PCQKMMM C34H61N9O9S4 867.3475 NA PeJP NA NA +PJ059231 GAPCKMMM C34H61N9O9S4 867.3476 NA PeJP NA NA +PJ059232 GQQMMHH C34H53N13O10S2 867.348 NA PeJP NA NA +PJ059233 GLEEEEY C37H53N7O17 867.3498 NA PeJP NA NA +PJ059234 SSSSCNQR C30H53N13O15S 867.3505 NA PeJP NA NA +PJ059235 PPTEMMY C38H57N7O12S2 867.3507 NA PeJP NA NA +PJ059236 NDDRYW C38H49N11O13 867.3512 NA PeJP NA NA +PJ059237 GCDMMRR C31H57N13O10S3 867.3514 NA PeJP NA NA +PJ059238 SCMRWW C39H53N11O8S2 867.352 NA PeJP NA NA +PJ059239 DHHHHW C39H45N15O9 867.3525 NA PeJP NA NA +PJ059240 VVEEMMM C35H61N7O12S3 867.3541 NA PeJP NA NA +PJ059241 SSSDMRW C35H53N11O13S 867.3545 NA PeJP NA NA +PJ059242 GGGGGAAQMY C35H53N11O13S 867.3546 NA PeJP NA NA +PJ059243 GQEYWW C43H49N9O11 867.3552 NA PeJP NA NA +PJ059244 NMMMRW C36H57N11O8S3 867.3554 NA PeJP NA NA +PJ059245 PTCHHHH C36H49N15O9S 867.3559 NA PeJP NA NA +PJ059246 SSSSSEER C31H53N11O18 867.357 NA PeJP NA NA +PJ059247 SSQEMMR C32H57N11O13S2 867.3579 NA PeJP NA NA +PJ059248 NNNNQQH C32H49N15O14 867.3584 NA PeJP NA NA +PJ059249 ATTTCWW C40H53N9O11S 867.3585 NA PeJP NA NA +PJ059250 GSTTMWW C40H53N9O11S 867.3586 NA PeJP NA NA +PJ059251 PCCKMMR C33H61N11O8S4 867.3588 NA PeJP NA NA +PJ059252 ACNMHHR C33H53N15O9S2 867.3592 NA PeJP NA NA +PJ059253 GCQMHHR C33H53N15O9S2 867.3593 NA PeJP NA NA +PJ059254 ASSSTTEW C36H53N9O16 867.361 NA PeJP NA NA +PJ059255 GSSTTTEW C36H53N9O16 867.3611 NA PeJP NA NA +PJ059256 GSKEMMW C37H57N9O11S2 867.3619 NA PeJP NA NA +PJ059257 SSSQHHW C37H49N13O12 867.3624 NA PeJP NA NA +PJ059258 NMFFFY C45H53N7O9S 867.3626 NA PeJP NA NA +PJ059259 GSSTKEEM C33H57N9O16S 867.3644 NA PeJP NA NA +PJ059260 LEEEYW C41H53N7O14 867.3651 NA PeJP NA NA +PJ059261 AQKEMMM C34H61N9O11S3 867.3653 NA PeJP NA NA +PJ059262 GNNNMRY C34H53N13O12S 867.3658 NA PeJP NA NA +PJ059263 PNEHWW C42H49N11O10 867.3664 NA PeJP NA NA +PJ059264 GSSSSSSNR C30H53N13O17 867.3683 NA PeJP NA NA +PJ059265 SPLEEMY C38H57N7O14S 867.3685 NA PeJP NA NA +PJ059266 SSCEMRR C31H57N13O12S2 867.3691 NA PeJP NA NA +PJ059267 PPVMMMY C39H61N7O9S3 867.3693 NA PeJP NA NA +PJ059268 GSPCRYW C39H53N11O10S 867.3698 NA PeJP NA NA +PJ059269 QYWWW C47H49N9O8 867.3704 NA PeJP NA NA +PJ059270 GCCHHRR C32H53N17O8S2 867.3705 NA PeJP NA NA +PJ059271 GSQEERY C35H53N11O15 867.3723 NA PeJP NA NA +PJ059272 GSTMMRW C36H57N11O10S2 867.3732 NA PeJP NA NA +PJ059273 ATEHHHH C36H49N15O11 867.3736 NA PeJP NA NA +PJ059274 AQMFWW C44H53N9O8S 867.3738 NA PeJP NA NA +PJ059275 GSSTTEMR C32H57N11O15S 867.3757 NA PeJP NA NA +PJ059276 SSTTTWW C40H53N9O13 867.3763 NA PeJP NA NA +PJ059277 GDKMMMR C33H61N11O10S3 867.3765 NA PeJP NA NA +PJ059278 GGGGCKKMM C33H61N11O10S3 867.3766 NA PeJP NA NA +PJ059279 SSNMHHR C33H53N15O11S 867.377 NA PeJP NA NA +PJ059280 SKMMWW C41H57N9O8S2 867.3772 NA PeJP NA NA +PJ059281 NQHHFW C41H49N13O9 867.3777 NA PeJP NA NA +PJ059282 SSTKEMW C37H57N9O13S 867.3797 NA PeJP NA NA +PJ059283 VNFYYY C45H53N7O11 867.3803 NA PeJP NA NA +PJ059284 AAKMMMW C38H61N9O8S3 867.3806 NA PeJP NA NA +PJ059285 GTCKHHW C38H53N13O9S 867.381 NA PeJP NA NA +PJ059286 GPHWWW C46H49N11O7 867.3817 NA PeJP NA NA +PJ059287 SSSTTKEE C33H57N9O18 867.3822 NA PeJP NA NA +PJ059288 SDKKEMM C34H61N9O13S2 867.3831 NA PeJP NA NA +PJ059289 GSDDRRY C34H53N13O14 867.3835 NA PeJP NA NA +PJ059290 GGGGGGLQEH C34H53N13O14 867.3836 NA PeJP NA NA +PJ059291 TKMYYY C42H57N7O11S 867.3837 NA PeJP NA NA +PJ059292 PCKKMMM C35H65N9O8S4 867.3839 NA PeJP NA NA +PJ059293 APCCRRY C35H57N13O9S2 867.3844 NA PeJP NA NA +PJ059294 ACFRWW C43H53N11O7S 867.3851 NA PeJP NA NA +PJ059295 SVLEEEY C38H57N7O16 867.3862 NA PeJP NA NA +PJ059296 SSSSCNKR C31H57N13O14S 867.3869 NA PeJP NA NA +PJ059297 PVVEMMY C39H61N7O11S2 867.3871 NA PeJP NA NA +PJ059298 SQERYW C39H53N11O12 867.3875 NA PeJP NA NA +PJ059299 GGTERYW C39H53N11O12 867.3876 NA PeJP NA NA +PJ059300 GSMMMRR C32H61N13O9S3 867.3878 NA PeJP NA NA +PJ059301 MMHFFR C40H57N11O7S2 867.3884 NA PeJP NA NA +PJ059302 GPHHHHF C40H49N15O8 867.3889 NA PeJP NA NA +PJ059303 TLLEMMM C36H65N7O11S3 867.3904 NA PeJP NA NA +PJ059304 SSTTMRW C36H57N11O12S 867.3909 NA PeJP NA NA +PJ059305 GGGGGAAPPPM C36H57N11O12S 867.391 NA PeJP NA NA +PJ059306 GKEYWW C44H53N9O10 867.3916 NA PeJP NA NA +PJ059307 GLMHHHH C37H53N15O8S 867.3923 NA PeJP NA NA +PJ059308 SSSTTTER C32H57N11O17 867.3934 NA PeJP NA NA +PJ059309 SSKEMMR C33H61N11O12S2 867.3943 NA PeJP NA NA +PJ059310 GSSSTHHR C33H53N15O13 867.3948 NA PeJP NA NA +PJ059311 GSPKMYW C41H57N9O10S 867.3949 NA PeJP NA NA +PJ059312 GGAALMYW C41H57N9O10S 867.395 NA PeJP NA NA +PJ059313 PPCCHRR C34H57N15O8S2 867.3956 NA PeJP NA NA +PJ059314 SSSSTTLW C37H57N9O15 867.3974 NA PeJP NA NA +PJ059315 GDKKEEY C37H57N9O15 867.3975 NA PeJP NA NA +PJ059316 ATTKMMW C38H61N9O10S2 867.3983 NA PeJP NA NA +PJ059317 GSPEHRW C38H53N13O11 867.3988 NA PeJP NA NA +PJ059318 SSSSLKEM C34H61N9O15S 867.4008 NA PeJP NA NA +PJ059319 SPPLEYY C42H57N7O13 867.4015 NA PeJP NA NA +PJ059320 AKKEMMM C35H65N9O10S3 867.4017 NA PeJP NA NA +PJ059321 NEMRRY C35H57N13O11S 867.4021 NA PeJP NA NA +PJ059322 GGEMRRY C35H57N13O11S 867.4022 NA PeJP NA NA +PJ059323 PPVMMFF C43H61N7O8S2 867.4023 NA PeJP NA NA +PJ059324 GTRYWW C43H53N11O9 867.4028 NA PeJP NA NA +PJ059325 ALLEEMY C39H61N7O13S 867.4048 NA PeJP NA NA +PJ059326 SSTMMRR C32H61N13O11S2 867.4055 NA PeJP NA NA +PJ059327 PVLMMMF C40H65N7O8S3 867.4057 NA PeJP NA NA +PJ059328 GNNDHRR C32H53N17O12 867.406 NA PeJP NA NA +PJ059329 VNMRYW C40H57N11O9S 867.4062 NA PeJP NA NA +PJ059330 KYWWW C48H53N9O7 867.4068 NA PeJP NA NA +PJ059331 GSKEERY C36H57N11O14 867.4087 NA PeJP NA NA +PJ059332 VLLMMMM C37H69N7O8S4 867.4091 NA PeJP NA NA +PJ059333 APCKMRY C37H61N11O9S2 867.4095 NA PeJP NA NA +PJ059334 PVCCKRY C37H61N11O9S2 867.4096 NA PeJP NA NA +PJ059335 NQQHRW C37H53N15O10 867.41 NA PeJP NA NA +PJ059336 AKMFWW C45H57N9O7S 867.4102 NA PeJP NA NA +PJ059337 SSSSTLMR C33H61N11O14S 867.412 NA PeJP NA NA +PJ059338 GGSSSSKKM C33H61N11O14S 867.4121 NA PeJP NA NA +PJ059339 DKKEYW C41H57N9O12 867.4127 NA PeJP NA NA +PJ059340 ATKMMMR C34H65N11O9S3 867.4129 NA PeJP NA NA +PJ059341 CDRRRY C34H57N15O10S 867.4134 NA PeJP NA NA +PJ059342 SPHRWW C42H53N13O8 867.414 NA PeJP NA NA +PJ059343 GGKHHFW C42H53N13O8 867.4141 NA PeJP NA NA +PJ059344 TTTTKMW C38H61N9O12S 867.4161 NA PeJP NA NA +PJ059345 TKFFYY C46H57N7O10 867.4167 NA PeJP NA NA +PJ059346 GMRRYW C39H57N13O8S 867.4174 NA PeJP NA NA +PJ059347 STTTTTKE C34H61N9O17 867.4186 NA PeJP NA NA +PJ059348 TTKKEMM C35H65N9O12S2 867.4194 NA PeJP NA NA +PJ059349 GSTERRY C35H57N13O13 867.4199 NA PeJP NA NA +PJ059350 GGGGGGGGAPPK C35H57N13O13 867.42 NA PeJP NA NA +PJ059351 PPVVMYY C43H61N7O10S 867.4201 NA PeJP NA NA +PJ059352 QMMFRR C36H61N13O8S2 867.4208 NA PeJP NA NA +PJ059353 GPQHHHR C36H53N17O9 867.4213 NA PeJP NA NA +PJ059354 TTLLEEY C39H61N7O15 867.4226 NA PeJP NA NA +PJ059355 PTLLMMY C40H65N7O10S2 867.4235 NA PeJP NA NA +PJ059356 SKERYW C40H57N11O11 867.4239 NA PeJP NA NA +PJ059357 GGGLLEHW C40H57N11O11 867.424 NA PeJP NA NA +PJ059358 CCCKKKR C33H65N13O8S3 867.4242 NA PeJP NA NA +PJ059359 AAKEMRY C37H61N11O11S 867.4273 NA PeJP NA NA +PJ059360 SVKYWW C45H57N9O9 867.4279 NA PeJP NA NA +PJ059361 TTKFWW C45H57N9O9 867.428 NA PeJP NA NA +PJ059362 STTTTTTR C33H61N11O16 867.4298 NA PeJP NA NA +PJ059363 TTTKMMR C34H65N11O11S2 867.4307 NA PeJP NA NA +PJ059364 SSPEHRR C34H57N15O12 867.4311 NA PeJP NA NA +PJ059365 AAEEHRR C34H57N15O12 867.4312 NA PeJP NA NA +PJ059366 LQKMYW C42H61N9O9S 867.4313 NA PeJP NA NA +PJ059367 CMFRRR C35H61N15O7S2 867.432 NA PeJP NA NA +PJ059368 ATKKEEY C38H61N9O14 867.4338 NA PeJP NA NA +2850 NA FGGFTGRIPKLWDNQ 867.4339 MH2+ Inhouse_peptide NA peptide +PJ059369 GGAPPLLDE C38H61N9O14 867.4339 NA PeJP NA NA +PJ059370 APKKMMY C39H65N9O9S2 867.4347 NA PeJP NA NA +PJ059371 STRRYW C39H57N13O10 867.4352 NA PeJP NA NA +PJ059372 SSTTTLKM C35H65N9O14S 867.4372 NA PeJP NA NA +PJ059373 APLLEYY C43H61N7O12 867.4379 NA PeJP NA NA +PJ059374 SLKKMMM C36H69N9O9S3 867.4381 NA PeJP NA NA +PJ059375 DKMRRY C36H61N13O10S 867.4385 NA PeJP NA NA +PJ059376 GGGCKKRY C36H61N13O10S 867.4386 NA PeJP NA NA +PJ059377 VLQHWW C44H57N11O8 867.4392 NA PeJP NA NA +MJ096544 Flavensomycin C47H65NO14 867.440505 NA MeJP NA NA +PJ059378 SLLLEMY C40H65N7O12S 867.4412 NA PeJP NA NA +PJ059379 DEHRRR C33H57N17O11 867.4424 NA PeJP NA NA +PJ059380 CLKRYW C41H61N11O8S 867.4426 NA PeJP NA NA +PJ059381 ATTKERY C37H61N11O13 867.4451 NA PeJP NA NA +PJ059382 GVKMMFR C38H65N11O8S2 867.4459 NA PeJP NA NA +PJ059383 VDHRRW C38H57N15O9 867.4464 NA PeJP NA NA +PJ059384 SSSTCKKK C34H65N11O13S 867.4484 NA PeJP NA NA +PJ059385 GTTLKYW C42H61N9O11 867.4491 NA PeJP NA NA +PJ059386 CCKKKKM C35H69N11O8S3 867.4493 NA PeJP NA NA +PJ059387 SMRRRY C35H61N15O9S 867.4498 NA PeJP NA NA +PJ059388 ALHRWW C43H57N13O7 867.4504 NA PeJP NA NA +PJ059389 SVLQKMY C39H65N9O11S 867.4524 NA PeJP NA NA +PJ059390 GLKKEMY C39H65N9O11S 867.4525 NA PeJP NA NA +PJ059391 PPVVFFY C47H61N7O9 867.4531 NA PeJP NA NA +MJ096545 Glycocinnaspermicidin A C36H61N13O12 867.456264 NA MeJP NA NA +PJ059392 SSSLRRY C36H61N13O12 867.4563 NA PeJP NA NA +PJ059393 PVVLMFY C44H65N7O9S 867.4565 NA PeJP NA NA +PJ059394 KMMFRR C37H65N13O7S2 867.4572 NA PeJP NA NA +PJ059395 GPKHHHR C37H57N17O8 867.4577 NA PeJP NA NA +PJ059396 VVLLMMY C41H69N7O9S2 867.4599 NA PeJP NA NA +MJ096546 Aedes aegypti Allatostatins; Allatostatin 4 C41H61N11O10 867.460287 NA MeJP NA NA +PJ059397 APPLERW C41H61N11O10 867.4603 NA PeJP NA NA +PJ059398 GTLKMRY C38H65N11O10S 867.4637 NA PeJP NA NA +PJ059399 APPVLWW C46H61N9O8 867.4643 NA PeJP NA NA +PJ059400 GPPLLWW C46H61N9O8 867.4644 NA PeJP NA NA +PJ059401 GTLEHRR C35H61N15O11 867.4675 NA PeJP NA NA +PJ059402 GGGAPPTRR C35H61N15O11 867.4676 NA PeJP NA NA +PJ059403 LKKMYW C43H65N9O8S 867.4677 NA PeJP NA NA +PJ059404 STLKKEY C39H65N9O13 867.4702 NA PeJP NA NA +PJ059405 ALKKMMF C40H69N9O8S2 867.4711 NA PeJP NA NA +PJ059406 LKEHRW C40H61N13O9 867.4716 NA PeJP NA NA +PJ059407 SPLLLYY C44H65N7O11 867.4742 NA PeJP NA NA +PJ059408 SPLKMHR C37H65N13O9S 867.4749 NA PeJP NA NA +PJ059409 VLKHWW C45H61N11O7 867.4756 NA PeJP NA NA +PJ059410 GSQKHRR C34H61N17O10 867.4788 NA PeJP NA NA +PJ059411 STTLKRY C38H65N11O12 867.4814 NA PeJP NA NA +PJ059412 GGSTKKKY C38H65N11O12 867.4815 NA PeJP NA NA +PJ059413 TLHRRW C39H61N15O8 867.4828 NA PeJP NA NA +PJ059414 PPVLKEW C43H65N9O10 867.4855 NA PeJP NA NA +PJ059415 GVLMHRR C36H65N15O8S 867.4862 NA PeJP NA NA +PJ059416 SVLKKMY C40H69N9O10S 867.4888 NA PeJP NA NA +PJ059417 LLLLEMH C40H69N9O10S 867.4889 NA PeJP NA NA +PJ059418 PVVLFFF C48H65N7O8 867.4895 NA PeJP NA NA +3499 ACE inhibitor from b-casein SKVLPVPE 867.492 ACE inhibitor Inhouse_peptide NA peptide +PJ059419 PPTLERR C37H65N13O11 867.4927 NA PeJP NA NA +PJ059420 VVLLMFF C45H69N7O8S 867.4929 NA PeJP NA NA +PJ059421 PHFRRR C38H61N17O7 867.494 NA PeJP NA NA +PJ059422 SPPLLRW C42H65N11O9 867.4967 NA PeJP NA NA +PJ059423 LMHRRR C35H65N17O7S 867.4974 NA PeJP NA NA +C10819 Solamargine C45H73NO15 867.498 NA KEGG NA NA +C10820 Solanine C45H73NO15 867.498 NA KEGG NA NA +MJ096547 Antibiotic N 1 C45H73NO15 867.49802 NA MeJP NA NA +MJ096548 Leptinidine; 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H73NO15 867.49802 NA MeJP NA NA +MJ096549 Solanidine; O-[?-L-Rhamnopyranosyl-(1?2)-O-[?-D-glucopyranosyl-(1?3)]-?-D-galactopyranoside] C45H73NO15 867.49802 NA MeJP NA NA +MJ096550 Solanidine; O-[?-L-Rhamnopyranosyl-(1?2)-O-[?-D-glucopyranosyl-(1?3)]-?-D-galactopyranoside] C45H73NO15 867.49802 NA MeJP NA NA +MJ096551 Solanidine; O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] C45H73NO15 867.49802 NA MeJP NA NA +MJ096552 Solanidine; O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C45H73NO15 867.49802 NA MeJP NA NA +MJ096553 Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H73NO15 867.49802 NA MeJP NA NA +MJ096554 Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H73NO15 867.49802 NA MeJP NA NA +MJ096555 Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C45H73NO15 867.49802 NA MeJP NA NA +MJ096556 Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C45H73NO15 867.49802 NA MeJP NA NA +PJ059424 ACKKKKY C39H69N11O9S 867.5001 NA PeJP NA NA +PJ059425 LKKFFW C47H65N9O7 867.5007 NA PeJP NA NA +PJ059426 SSLLHRR C36H65N15O10 867.5039 NA PeJP NA NA +PJ059427 APPTLLKE C40H69N9O12 867.5066 NA PeJP NA NA +PJ059428 AAKKKHW C41H65N13O8 867.5079 NA PeJP NA NA +PJ059429 GPPKKRW C41H65N13O8 867.508 NA PeJP NA NA +PJ059430 ALLLLYY C45H69N7O10 867.5106 NA PeJP NA NA +PJ059431 PPVLMRR C38H69N13O8S 867.5113 NA PeJP NA NA +PJ059432 GPVQRRR C35H65N17O9 867.5152 NA PeJP NA NA +PJ059433 SSKKKKY C39H69N11O11 867.5178 NA PeJP NA NA +PJ059434 GAPLLLER C39H69N11O11 867.5179 NA PeJP NA NA +PJ059435 PVLLLQW C44H69N9O9 867.5219 NA PeJP NA NA +PJ059436 GPPLLLKM C41H73N9O9S 867.5252 NA PeJP NA NA +PJ059437 PQRRRR C34H65N19O8 867.5264 NA PeJP NA NA +PJ059438 PVVLERR C38H69N13O10 867.5291 NA PeJP NA NA +PJ059439 APLLLRW C43H69N11O8 867.5331 NA PeJP NA NA +PJ059440 VLLKKMH C40H73N11O8S 867.5365 NA PeJP NA NA +PJ059441 SPPKKRR C37H69N15O9 867.5403 NA PeJP NA NA +PJ059442 GPVLLLKE C41H73N9O11 867.543 NA PeJP NA NA +PJ059443 GPVKRRR C36H69N17O8 867.5516 NA PeJP NA NA +PJ059444 PLLLKER C40H73N11O10 867.5542 NA PeJP NA NA +MJ096557 Cadiolide A; 3'',5''-Dibromo C24H10Br6O6 867.557763 NA MeJP NA NA +PJ059445 PVLLLKW C45H73N9O8 867.5583 NA PeJP NA NA +PJ059446 PKRRRR C35H69N19O7 867.5628 NA PeJP NA NA +PJ059447 PTLLLRR C39H73N13O9 867.5655 NA PeJP NA NA +PJ059448 APLKKRR C38H73N15O8 867.5767 NA PeJP NA NA +PJ059449 APTLLLLK C42H77N9O10 867.5794 NA PeJP NA NA +PJ059450 LLLLLQR C41H77N11O9 867.5906 NA PeJP NA NA +EUR1003 PC 38:5 [M-H+acetate]- C46H82NO8P 867.598907 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1003 PC 38:5 [M-H+acetate]- C46H82NO8P 867.598907 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1003 PC 38:5 [M-H+acetate]- C46H82NO8P 867.598907 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1003 PC 38:5 [M-H+acetate]- C46H82NO8P 867.598907 masses lipides attendues Inhousejuil11 NA NA +PJ059451 PVLKKKR C40H77N13O8 867.6018 NA PeJP NA NA +PJ059452 VVLLLRR C40H77N13O8 867.6019 NA PeJP NA NA +PJ059453 GVLLLLLK C43H81N9O9 867.6158 NA PeJP NA NA +PJ059454 LLLLLKR C42H81N11O8 867.627 NA PeJP NA NA +HMDB08158 PC(18:2(9Z,12Z)/24:1(15Z)) C50H94NO8P 867.671692 NA HMDB2010 NA NA +HMDB08190 PC(18:3(6Z,9Z,12Z)/24:0) C50H94NO8P 867.671692 NA HMDB2010 NA NA +HMDB08223 PC(18:3(9Z,12Z,15Z)/24:0) C50H94NO8P 867.671692 NA HMDB2010 NA NA +HMDB08317 PC(20:1(11Z)/22:2(13Z,16Z)) C50H94NO8P 867.671692 NA HMDB2010 NA NA +HMDB08349 PC(20:2(11Z,14Z)/22:1(13Z)) C50H94NO8P 867.671692 NA HMDB2010 NA NA +HMDB08381 PC(20:3(5Z,8Z,11Z)/22:0) C50H94NO8P 867.671692 NA HMDB2010 NA NA +HMDB08413 PC(20:3(8Z,11Z,14Z)/22:0) C50H94NO8P 867.671692 NA HMDB2010 NA NA +HMDB08540 PC(22:0/20:3(5Z,8Z,11Z)) C50H94NO8P 867.671692 NA HMDB2010 NA NA +HMDB08541 PC(22:0/20:3(8Z,11Z,14Z)) C50H94NO8P 867.671692 NA HMDB2010 NA NA +HMDB08571 PC(22:1(13Z)/20:2(11Z,14Z)) C50H94NO8P 867.671692 NA HMDB2010 NA NA +HMDB08603 PC(22:2(13Z,16Z)/20:1(11Z)) C50H94NO8P 867.671692 NA HMDB2010 NA NA +HMDB08764 PC(24:0/18:3(6Z,9Z,12Z)) C50H94NO8P 867.671692 NA HMDB2010 NA NA +HMDB08765 PC(24:0/18:3(9Z,12Z,15Z)) C50H94NO8P 867.671692 NA HMDB2010 NA NA +HMDB08796 PC(24:1(15Z)/18:2(9Z,12Z)) C50H94NO8P 867.671692 NA HMDB2010 NA NA +HMDB01340 Diguanosine tetraphosphate C20H28N10O21P4 868.038086 NA HMDB2010 NA NA +HMDB01340 Diguanosine tetraphosphate C20H28N10O21P4 868.03809 http://www.hmdb.ca/metabolites/HMDB01340 HMDB NA NA +HMDB01340 Diguanosine tetraphosphate C20H28N10O21P4 868.03809 HMDB01340 PFEM_hmdb_metabocards_official NA NA +MJ096558 P1,P4-Diguanosine 5'-tetraphosphate C20H28N10O21P4 868.038094 NA MeJP NA NA +MJ096559 P1,P4-Bis(5'-guanosyl) tetraphosphate C20H28N10O21P4 868.038094 NA MeJP NA NA +MetaCyc04216 P1,P4-bis(5'-guanosyl) tetraphosphate [bis(5'-guanosyl) tetraphosphate;] C20H28N10O21P4 868.038094 NA metacyc NA NA +C01261 P1,P4-Bis(5'-guanosyl) tetraphosphate C20H28N10O21P4 868.0381 NA KEGG NA NA +PJ059455 CCCCCCCE C26H44N8O11S7 868.1175 NA PeJP NA NA +MJ096560 Theaflavin; 3,3'-Bis-O-(3,4,5-trihydroxybenzoyl) C43H32O20 868.148693 NA MeJP NA NA +PJ059456 TCCCCCCM C27H48N8O10S7 868.1539 NA PeJP NA NA +PJ059457 GCCCCCDY C30H44N8O12S5 868.1683 NA PeJP NA NA +PJ059458 GCCCCCMF C31H48N8O9S6 868.1869 NA PeJP NA NA +PJ059459 GCCCCDEH C29H44N10O13S4 868.1973 NA PeJP NA NA +PJ059460 GCDDDDDD C29H40N8O21S 868.2029 NA PeJP NA NA +PJ059461 GSCCCCMY C31H48N8O11S5 868.2046 NA PeJP NA NA +PJ059462 CCCCDHW C33H44N10O10S4 868.2125 NA PeJP NA NA +PJ059463 SSCCCDDH C29H44N10O15S3 868.215 NA PeJP NA NA +PJ059464 PTCCCCCH C30H48N10O10S5 868.2159 NA PeJP NA NA +MetaCyc04217 2,3-cis/trans-proanthocyanidin [] C45H40O18 868.221464 NA metacyc NA NA +PJ059465 SPCCDDDD C30H44N8O18S2 868.2215 NA PeJP NA NA +PJ059466 SSTCCCCY C31H48N8O13S4 868.2224 NA PeJP NA NA +PJ059467 GCCNNDDE C29H44N10O17S2 868.2328 NA PeJP NA NA +PJ059468 GSCCCEMH C30H48N10O12S4 868.2336 NA PeJP NA NA +PJ059469 CCCCQFY C35H48N8O10S4 868.2377 NA PeJP NA NA +PJ059470 GSDDDDDM C30H44N8O20S 868.2393 NA PeJP NA NA +PJ059471 GPCCDDEM C31H48N8O15S3 868.2402 NA PeJP NA NA +PJ059472 CCNNDDW C33H44N10O14S2 868.248 NA PeJP NA NA +PJ059473 SCCCMHW C34H48N10O9S4 868.2489 NA PeJP NA NA +PJ059474 SSCNNDDD C29H44N10O19S 868.2505 NA PeJP NA NA +PJ059475 SSSCCDMH C30H48N10O14S3 868.2514 NA PeJP NA NA +PJ059476 CCNMMMH C31H52N10O9S5 868.2523 NA PeJP NA NA +PJ059477 SCDDDEW C34H44N8O17S 868.2545 NA PeJP NA NA +PJ059478 TCDDDDW C34H44N8O17S 868.2546 NA PeJP NA NA +PJ059479 PCCDDMW C35H48N8O12S3 868.2554 NA PeJP NA NA +PJ059480 SSSDDDDE C30H44N8O22 868.2571 NA PeJP NA NA +PJ059481 NDDDEMM C31H48N8O17S2 868.2579 NA PeJP NA NA +PJ059482 SPPCCCEM C32H52N8O12S4 868.2588 NA PeJP NA NA +MJ096561 Aurantoside F C40H50Cl2N2O15 868.258824 NA MeJP NA NA +PJ059483 GCCNNNNM C29H48N12O13S3 868.2626 NA PeJP NA NA +PJ059484 GGGGGGGCCNM C29H48N12O13S3 868.2627 NA PeJP NA NA +PJ059485 GSPCCCNW C34H48N10O11S3 868.2667 NA PeJP NA NA +PJ059486 CDDDDMR C30H48N10O16S2 868.2692 NA PeJP NA NA +PJ059487 GSTCCMMH C31H52N10O11S4 868.27 NA PeJP NA NA +PJ059488 NDDDDEF C34H44N8O19 868.2723 NA PeJP NA NA +PJ059489 GDDDMMW C35H48N8O14S2 868.2732 NA PeJP NA NA +PJ059490 CCCCKFY C36H52N8O9S4 868.274 NA PeJP NA NA +PJ059491 PPPCCCCF C36H52N8O9S4 868.2741 NA PeJP NA NA +PJ059492 GSSDDEEM C31H48N8O19S 868.2757 NA PeJP NA NA +PJ059493 GSPCDEMM C32H52N8O14S3 868.2766 NA PeJP NA NA +PJ059494 CNDDEHH C32H44N12O15S 868.277 NA PeJP NA NA +PJ059495 GPPCCMMM C33H56N8O9S5 868.2774 NA PeJP NA NA +PJ059496 GSCCNDDR C29H48N12O15S2 868.2804 NA PeJP NA NA +PJ059497 GPCCCCQR C30H52N12O10S4 868.2813 NA PeJP NA NA +PJ059498 ACCCHFW C38H48N10O8S3 868.2819 NA PeJP NA NA +PJ059499 NNNDDDY C33H44N10O18 868.2835 NA PeJP NA NA +PJ059500 GGGGNDDDY C33H44N10O18 868.2836 NA PeJP NA NA +PJ059501 SCNNDMW C34H48N10O13S2 868.2844 NA PeJP NA NA +PJ059502 SSSNNDDM C30H48N10O18S 868.2869 NA PeJP NA NA +PJ059503 GDDDDFW C38H44N8O16 868.2876 NA PeJP NA NA +PJ059504 SSSSCMMH C31H52N10O13S3 868.2878 NA PeJP NA NA +PJ059505 CDEMWW C39H48N8O11S2 868.2884 NA PeJP NA NA +MJ096562 Perdeacyleuojaponin; 1-(3-Pyridinecarbonyl), 2,6,8,9,14-penta-Ac C42H48N2O18 868.290212 NA MeJP NA NA +MJ096563 Perdeacyleuojaponin; 8-(3-Pyridinecarbonyl), 1,2,6,9,14-penta-Ac C42H48N2O18 868.290212 NA MeJP NA NA +MJ096564 Perdeacyleuojaponin; 8-Epimer, 8-(3-pyridinecarbonyl), 1,2,6,9,14-penta-Ac C42H48N2O18 868.290212 NA MeJP NA NA +MJ096565 Perdeacylwilforine; 1-(3-Pyridinecarbonyl), 2,6,8,9,14-penta-Ac C42H48N2O18 868.290212 NA MeJP NA NA +MJ096566 Perdeacylwilforine; 2-(3-Pyridinecarbonyl), 1,6,8,9,14-penta-Ac C42H48N2O18 868.290212 NA MeJP NA NA +PJ059506 SSDDEMW C35H48N8O16S 868.2909 NA PeJP NA NA +PJ059507 SPCDMMW C36H52N8O11S3 868.2918 NA PeJP NA NA +PJ059508 GCDDHHW C36H44N12O12S 868.2923 NA PeJP NA NA +PJ059509 SSSSDEEE C31H48N8O21 868.2934 NA PeJP NA NA +PJ059510 SNEEEMM C32H52N8O16S2 868.2943 NA PeJP NA NA +PJ059511 GSSDDDHH C32H44N12O17 868.2948 NA PeJP NA NA +PJ059512 DDMYYY C40H48N6O14S 868.2949 NA PeJP NA NA +PJ059513 PNDMMMM C33H56N8O11S4 868.2952 NA PeJP NA NA +PJ059514 GSPCCEHH C33H48N12O12S2 868.2957 NA PeJP NA NA +PJ059515 GSSSSCNNN C29H48N12O17S 868.2981 NA PeJP NA NA +PJ059516 GGGGGSSSSCN C29H48N12O17S 868.2982 NA PeJP NA NA +PJ059517 CCNNEMR C30H52N12O12S3 868.299 NA PeJP NA NA +PJ059518 MMMMYY C38H56N6O9S4 868.2992 NA PeJP NA NA +PJ059519 GSCCQWW C38H48N10O10S2 868.2997 NA PeJP NA NA +PJ059520 GSSSCNEW C34H48N10O15S 868.3022 NA PeJP NA NA +PJ059521 GCNQMMW C35H52N10O10S3 868.303 NA PeJP NA NA +PJ059522 GGGGACMMW C35H52N10O10S3 868.3031 NA PeJP NA NA +PJ059523 GSSSSSNDE C30H48N10O20 868.3047 NA PeJP NA NA +PJ059524 SDDDMMR C31H52N10O15S2 868.3055 NA PeJP NA NA +PJ059525 GGGGGSSEMM C31H52N10O15S2 868.3056 NA PeJP NA NA +PJ059526 GPCDEYW C39H48N8O13S 868.3062 NA PeJP NA NA +PJ059527 PCCEMMR C32H56N10O10S4 868.3064 NA PeJP NA NA +PJ059528 CNNNMHH C32H48N14O11S2 868.3069 NA PeJP NA NA +PJ059529 GNEEEEY C35H48N8O18 868.3087 NA PeJP NA NA +PJ059530 GSEEMMW C36H52N8O13S2 868.3096 NA PeJP NA NA +PJ059531 CCCNDRR C29H52N14O11S3 868.3102 NA PeJP NA NA +PJ059532 GGCCCDRR C29H52N14O11S3 868.3103 NA PeJP NA NA +PJ059533 APCMMMW C37H56N8O8S4 868.3104 NA PeJP NA NA +PJ059534 SPCCHHW C37H48N12O9S2 868.3109 NA PeJP NA NA +PJ059535 GSSTEEEM C32H52N8O18S 868.3121 NA PeJP NA NA +PJ059536 AQEEMMM C33H56N8O13S3 868.3129 NA PeJP NA NA +PJ059537 CNNNNQY C33H48N12O14S 868.3134 NA PeJP NA NA +PJ059538 DMMFYY C41H52N6O11S2 868.3136 NA PeJP NA NA +PJ059539 GCCNMRW C34H52N12O9S3 868.3143 NA PeJP NA NA +MJ096567 Microsclerodermin C; De-N-aminocarbonyl C40H49ClN8O12 868.315846 NA MeJP NA NA +PJ059540 GSSCNDMR C30H52N12O14S2 868.3168 NA PeJP NA NA +PJ059541 SSSCNWW C38H48N10O12S 868.3174 NA PeJP NA NA +PJ059542 GPCCCCKR C31H56N12O9S4 868.3177 NA PeJP NA NA +PJ059543 SSSSSNDW C34H48N10O17 868.3199 NA PeJP NA NA +PJ059544 SSNNMMW C35H52N10O12S2 868.3208 NA PeJP NA NA +PJ059545 PCDYWW C43H48N8O10S 868.3214 NA PeJP NA NA +PJ059546 SSSSNQEM C31H52N10O17S 868.3233 NA PeJP NA NA +PJ059547 NEEEYW C39H48N8O15 868.3239 NA PeJP NA NA +PJ059548 GGEEEYW C39H48N8O15 868.324 NA PeJP NA NA +PJ059549 GDEMMMR C32H56N10O12S3 868.3242 NA PeJP NA NA +PJ059550 SCDDHHR C32H48N14O13S 868.3246 NA PeJP NA NA +PJ059551 GGGGGSTCHH C32H48N14O13S 868.3247 NA PeJP NA NA +PJ059552 SEMMWW C40H52N8O10S2 868.3248 NA PeJP NA NA +MJ096568 Virotoxin; [Ala1]Viroidin C36H52N8O15S 868.327283 NA MeJP NA NA +PJ059553 SSTEEMW C36H52N8O15S 868.3273 NA PeJP NA NA +PJ059554 DDFFYY C44H48N6O13 868.328 NA PeJP NA NA +PJ059555 AAEMMMW C37H56N8O10S3 868.3282 NA PeJP NA NA +PJ059556 GSDMHHW C37H48N12O11S 868.3287 NA PeJP NA NA +PJ059557 SSSTTEEE C32H52N8O20 868.3298 NA PeJP NA NA +PJ059558 SDKEEMM C33H56N8O15S2 868.3307 NA PeJP NA NA +PJ059559 GSSNNNNY C33H48N12O16 868.3311 NA PeJP NA NA +PJ059560 GGGSSNNNY C33H48N12O16 868.3312 NA PeJP NA NA +PJ059561 TEMYYY C41H52N6O13S 868.3313 NA PeJP NA NA +PJ059562 PTQMMMM C34H60N8O10S4 868.3316 NA PeJP NA NA +PJ059563 SSCCQRW C34H52N12O11S2 868.332 NA PeJP NA NA +PJ059564 GGGGGPPCMH C34H52N12O11S2 868.3321 NA PeJP NA NA +PJ059565 MMMFFY C42H56N6O8S3 868.3322 NA PeJP NA NA +PJ059566 CNNFWW C42H48N10O9S 868.3327 NA PeJP NA NA +PJ059567 SSSSCNER C30H52N12O16S 868.3345 NA PeJP NA NA +PJ059568 DDDRYW C38H48N10O14 868.3352 NA PeJP NA NA +PJ059569 SCNQMMR C31H56N12O11S3 868.3354 NA PeJP NA NA +PJ059570 GSCCKWW C39H52N10O9S2 868.336 NA PeJP NA NA +PJ059571 GCQMHFF C39H52N10O9S2 868.3361 NA PeJP NA NA +PJ059572 GSSSSQMW C35H52N10O14S 868.3385 NA PeJP NA NA +PJ059573 GGGSSSTMW C35H52N10O14S 868.3386 NA PeJP NA NA +PJ059574 GEEYWW C43H48N8O12 868.3392 NA PeJP NA NA +PJ059575 DMMMRW C36H56N10O9S3 868.3394 NA PeJP NA NA +PJ059576 PCMFWW C44H52N8O7S2 868.3401 NA PeJP NA NA +PJ059577 GSSSSSTQE C31H52N10O19 868.341 NA PeJP NA NA +PJ059578 GGGSSSSTTE C31H52N10O19 868.3411 NA PeJP NA NA +PJ059579 SSEEMMR C32H56N10O14S2 868.3419 NA PeJP NA NA +PJ059580 SSSSNNHH C32H48N14O15 868.3424 NA PeJP NA NA +MJ096569 Napsamycin B; 5'',6''-Dihydro C40H52N8O12S 868.342539 NA MeJP NA NA +PJ059581 GSPEMYW C40H52N8O12S 868.3426 NA PeJP NA NA +PJ059582 PTCMMMR C33H60N10O9S4 868.3428 NA PeJP NA NA +PJ059583 GCEMHHR C33H52N14O10S2 868.3433 NA PeJP NA NA +PJ059584 CLMMWW C41H56N8O7S3 868.3434 NA PeJP NA NA +PJ059585 TCHHWW C41H48N12O8S 868.3439 NA PeJP NA NA +PJ059586 GDKEEEY C36H52N8O17 868.3451 NA PeJP NA NA +PJ059587 ATTEMMW C37H56N8O12S2 868.3459 NA PeJP NA NA +PJ059588 GAAPEMMY C37H56N8O12S2 868.346 NA PeJP NA NA +PJ059589 SSSEHHW C37H48N12O13 868.3464 NA PeJP NA NA +PJ059590 DMFFFY C45H52N6O10S 868.3466 NA PeJP NA NA +PJ059591 QMMHHW C38H52N12O8S2 868.3473 NA PeJP NA NA +PJ059592 SSSSLEEM C33H56N8O17S 868.3484 NA PeJP NA NA +PJ059593 AKEEMMM C34H60N8O12S3 868.3493 NA PeJP NA NA +PJ059594 GSSSSCRW C34H52N12O13S 868.3498 NA PeJP NA NA +PJ059595 VMMYYY C42H56N6O10S2 868.35 NA PeJP NA NA +PJ059596 SNNYWW C42H48N10O11 868.3504 NA PeJP NA NA +PJ059597 ACCCKRW C35H56N12O8S3 868.3507 NA PeJP NA NA +PJ059598 GNMHHHH C35H48N16O9S 868.3511 NA PeJP NA NA +PJ059599 GSSSSSSDR C30H52N12O18 868.3523 NA PeJP NA NA +PJ059600 GSSSNMMR C31H56N12O13S2 868.3532 NA PeJP NA NA +PJ059601 NQQMYW C39H52N10O11S 868.3538 NA PeJP NA NA +PJ059602 EYWWW C47H48N8O9 868.3545 NA PeJP NA NA +PJ059603 SSSSSTQW C35H52N10O16 868.3563 NA PeJP NA NA +PJ059604 SSCQKMW C36H56N10O11S2 868.3572 NA PeJP NA NA +PJ059605 GNNNQHW C36H48N14O12 868.3576 NA PeJP NA NA +PJ059606 GGGNNQHW C36H48N14O12 868.3577 NA PeJP NA NA +PJ059607 SPMYWW C44H52N8O9S 868.3578 NA PeJP NA NA +PJ059608 CMHHRW C37H52N14O7S2 868.3585 NA PeJP NA NA +PJ059609 SSSSNKEM C32H56N10O16S 868.3597 NA PeJP NA NA +PJ059610 DKEEYW C40H52N8O14 868.3603 NA PeJP NA NA +PJ059611 ATEMMMR C33H60N10O11S3 868.3605 NA PeJP NA NA +PJ059612 GGSQKMMM C33H60N10O11S3 868.3606 NA PeJP NA NA +PJ059613 SSDMHHR C33H52N14O12S 868.361 NA PeJP NA NA +PJ059614 AAPMMYW C41H56N8O9S2 868.3612 NA PeJP NA NA +PJ059615 NEHHFW C41H48N12O10 868.3617 NA PeJP NA NA +PJ059616 TTTTEMW C37H56N8O14S 868.3637 NA PeJP NA NA +PJ059617 PTYYYY C45H52N6O12 868.3643 NA PeJP NA NA +PJ059618 GSSTCCRR C30H56N14O12S2 868.3644 NA PeJP NA NA +PJ059619 GTLMMMW C38H60N8O9S3 868.3646 NA PeJP NA NA +PJ059620 CNQRYW C38H52N12O10S 868.365 NA PeJP NA NA +PJ059621 GGGACRYW C38H52N12O10S 868.3651 NA PeJP NA NA +PJ059622 MMFFFF C46H56N6O7S2 868.3652 NA PeJP NA NA +PJ059623 STTTTTEE C33H56N8O19 868.3662 NA PeJP NA NA +PJ059624 TTKEEMM C34H60N8O14S2 868.3671 NA PeJP NA NA +PJ059625 SSNNERY C34H52N12O15 868.3675 NA PeJP NA NA +PJ059626 GGGGSSERY C34H52N12O15 868.3676 NA PeJP NA NA +PJ059627 PTKMMMM C35H64N8O9S4 868.3679 NA PeJP NA NA +PJ059628 GGVLMMMM C35H64N8O9S4 868.368 NA PeJP NA NA +PJ059629 SSCCKRW C35H56N12O10S2 868.3684 NA PeJP NA NA +PJ059630 SSQHHHH C35H48N16O11 868.3689 NA PeJP NA NA +PJ059631 SSSSSQMR C31H56N12O15S 868.3709 NA PeJP NA NA +PJ059632 SSTNQFW C39H52N10O13 868.3715 NA PeJP NA NA +PJ059633 SEERYW C39H52N10O13 868.3716 NA PeJP NA NA +PJ059634 SCNKMMR C32H60N12O10S3 868.3718 NA PeJP NA NA +PJ059635 APPMMHW C40H56N10O8S2 868.3724 NA PeJP NA NA +PJ059636 GSSSSKMW C36H56N10O13S 868.3749 NA PeJP NA NA +PJ059637 GGGGAKEMY C36H56N10O13S 868.375 NA PeJP NA NA +PJ059638 SVEYWW C44H52N8O11 868.3756 NA PeJP NA NA +PJ059639 ACCKKMW C37H60N10O8S3 868.3758 NA PeJP NA NA +PJ059640 GPCNHRW C37H52N14O9S 868.3763 NA PeJP NA NA +PJ059641 GHHFWW C45H48N12O7 868.3769 NA PeJP NA NA +PJ059642 GSSSSSTKE C32H56N10O18 868.3774 NA PeJP NA NA +PJ059643 TTTEMMR C33H60N10O13S2 868.3783 NA PeJP NA NA +PJ059644 GNQEEHR C33H52N14O14 868.3788 NA PeJP NA NA +PJ059645 LQEMYW C41H56N8O11S 868.379 NA PeJP NA NA +PJ059646 GLMMMMR C34H64N10O8S4 868.3792 NA PeJP NA NA +PJ059647 SVCMHHR C34H56N14O9S2 868.3796 NA PeJP NA NA +PJ059648 GCCQFRR C34H56N14O9S2 868.3797 NA PeJP NA NA +PJ059649 VTTQEEY C37H56N8O16 868.3814 NA PeJP NA NA +PJ059650 ATKEEEY C37H56N8O16 868.3815 NA PeJP NA NA +PJ059651 SSSSSCRR C30H56N14O14S 868.3821 NA PeJP NA NA +PJ059652 STTLMMW C38H60N8O11S2 868.3823 NA PeJP NA NA +PJ059653 GSSNRYW C38H52N12O12 868.3828 NA PeJP NA NA +PJ059654 VMFFYY C46H56N6O9S 868.383 NA PeJP NA NA +PJ059655 KMMHHW C39H56N12O7S2 868.3837 NA PeJP NA NA +PJ059656 SSTTTLEM C34H60N8O16S 868.3848 NA PeJP NA NA +PJ059657 SLKEMMM C35H64N8O11S3 868.3857 NA PeJP NA NA +PJ059658 DEMRRY C35H56N12O12S 868.3862 NA PeJP NA NA +PJ059659 NQQFFW C43H52N10O10 868.3868 NA PeJP NA NA +PJ059660 ACKHHHH C36H52N16O8S 868.3875 NA PeJP NA NA +MJ096570 Antibiotic PF 1015 C46H60O16 868.388135 NA MeJP NA NA +PJ059661 GSSSSSTTR C31H56N12O17 868.3887 NA PeJP NA NA +PJ059662 GSSTCKMR C32H60N12O12S2 868.3895 NA PeJP NA NA +PJ059663 GNDDHRR C32H52N16O13 868.39 NA PeJP NA NA +PJ059664 VDMRYW C40H56N10O10S 868.3902 NA PeJP NA NA +PJ059665 APFYWW C48H52N8O8 868.3908 NA PeJP NA NA +PJ059666 SSSSSTKW C36H56N10O15 868.3927 NA PeJP NA NA +PJ059667 SSCKKMW C37H60N10O10S2 868.3936 NA PeJP NA NA +PJ059668 NQEHRW C37H52N14O11 868.394 NA PeJP NA NA +PJ059669 GGGAEHRW C37H52N14O11 868.3941 NA PeJP NA NA +PJ059670 ALMYWW C45H56N8O8S 868.3942 NA PeJP NA NA +PJ059671 SSSSDKKM C33H60N10O15S 868.3961 NA PeJP NA NA +PJ059672 GTTLEYW C41H56N8O13 868.3967 NA PeJP NA NA +PJ059673 STLMMMR C34H64N10O10S3 868.3969 NA PeJP NA NA +PJ059674 GSCQRRY C34H56N14O11S 868.3974 NA PeJP NA NA +PJ059675 AALMMFW C42H60N8O8S2 868.3976 NA PeJP NA NA +PJ059676 VNQHWW C42H52N12O9 868.3981 NA PeJP NA NA +PJ059677 GLKEEMY C38H60N8O13S 868.4001 NA PeJP NA NA +PJ059678 VVYYYY C46H56N6O11 868.4007 NA PeJP NA NA +PJ059679 PCLKMMF C39H64N8O8S3 868.401 NA PeJP NA NA +PJ059680 CNKRYW C39H56N12O9S 868.4014 NA PeJP NA NA +PJ059681 PPHFWW C47H52N10O7 868.4021 NA PeJP NA NA +C04394 Peptidoglycan(N-acetyl-D-glucosamine) C34H60N8O18 868.4026 NA KEGG NA NA +C04395 Phospho-[DNA-directed RNA polymerase] C34H60N8O18 868.4026 NA KEGG NA NA +C04397 Procollagen trans-3-hydroxy-L-proline C6H8N2O3R2 868.4026 NA KEGG NA NA +C04398 Procollagen trans-4-hydroxy-L-proline C6H8N2O3R2 868.4026 NA KEGG NA NA +PJ059682 SSSTLLMM C35H64N8O13S2 868.4035 NA PeJP NA NA +PJ059683 SSNDKRY C35H56N12O14 868.4039 NA PeJP NA NA +PJ059684 GGAAPPDER C35H56N12O14 868.404 NA PeJP NA NA +PJ059685 VVKMMMM C36H68N8O8S4 868.4043 NA PeJP NA NA +PJ059686 EMMFRR C36H60N12O9S2 868.4048 NA PeJP NA NA +PJ059687 GPEHHHR C36H52N16O10 868.4053 NA PeJP NA NA +PJ059688 PLMHWW C44H56N10O7S 868.4055 NA PeJP NA NA +PJ059689 SSSSSKMR C32H60N12O14S 868.4073 NA PeJP NA NA +PJ059690 GSTQKYW C40H56N10O12 868.4079 NA PeJP NA NA +PJ059691 GGGTTKYW C40H56N10O12 868.408 NA PeJP NA NA +PJ059692 TCCKKMR C33H64N12O9S3 868.4082 NA PeJP NA NA +PJ059693 SPCNHRR C33H56N16O10S 868.4086 NA PeJP NA NA +PJ059694 GGSPCHRR C33H56N16O10S 868.4087 NA PeJP NA NA +PJ059695 VMMFRW C41H60N10O7S2 868.4088 NA PeJP NA NA +MJ096571 Fevicordin F; 23,24-Dihydro, 22-ketone, 25-Ac, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C43H64O18 868.409265 NA MeJP NA NA +PJ059696 GQHRWW C41H52N14O8 868.4093 NA PeJP NA NA +PJ059697 GTLEMRY C37H60N10O12S 868.4113 NA PeJP NA NA +PJ059698 TTLYWW C45H56N8O10 868.412 NA PeJP NA NA +MJ096572 Ergost-22-ene-3,4,6,8,15,28-hexol, 28-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-galactofuranoside], 6-sulfate C40H68O18S 868.412636 NA MeJP NA NA +PJ059699 AAMHHFR C38H56N14O8S 868.4127 NA PeJP NA NA +PJ059700 SSSSSSSLK C33H60N10O17 868.4138 NA PeJP NA NA +PJ059701 GSSTKKMM C34H64N10O12S2 868.4147 NA PeJP NA NA +PJ059702 SSSNRRY C34H56N14O13 868.4152 NA PeJP NA NA +PJ059703 LKEMYW C42H60N8O10S 868.4153 NA PeJP NA NA +PJ059704 GAAPLMFY C42H60N8O10S 868.4154 NA PeJP NA NA +PJ059705 VFFFFY C50H56N6O8 868.416 NA PeJP NA NA +PJ059706 STLKEEY C38H60N8O15 868.4178 NA PeJP NA NA +PJ059707 GPPVLEEE C38H60N8O15 868.4179 NA PeJP NA NA +PJ059708 SPLKMMY C39H64N8O10S2 868.4187 NA PeJP NA NA +PJ059709 LEEHRW C39H56N12O11 868.4192 NA PeJP NA NA +PJ059710 PHHHRW C40H52N16O7 868.4205 NA PeJP NA NA +PJ059711 TTTTTTLM C35H64N8O15S 868.4212 NA PeJP NA NA +PJ059712 ASNKMRY C36H60N12O11S 868.4225 NA PeJP NA NA +PJ059713 GSQKMRY C36H60N12O11S 868.4226 NA PeJP NA NA +PJ059714 VLEHWW C44H56N10O9 868.4232 NA PeJP NA NA +PJ059715 GSQEHRR C33H56N16O12 868.4264 NA PeJP NA NA +PJ059716 TLMRYW C41H60N10O9S 868.4266 NA PeJP NA NA +PJ059717 ALFFWW C49H56N8O7 868.4272 NA PeJP NA NA +PJ059718 STTLERY C37H60N10O14 868.4291 NA PeJP NA NA +PJ059719 ACLLMRY C38H64N10O9S2 868.4299 NA PeJP NA NA +PJ059720 GVLMMRY C38H64N10O9S2 868.43 NA PeJP NA NA +PJ059721 NKEHRW C38H56N14O10 868.4304 NA PeJP NA NA +PJ059722 SSSTTKKM C34H64N10O14S 868.4324 NA PeJP NA NA +PJ059723 SSTLLYW C42H60N8O12 868.4331 NA PeJP NA NA +PJ059724 TCKKKMM C35H68N10O9S3 868.4333 NA PeJP NA NA +PJ059725 GSCKRRY C35H60N14O10S 868.4338 NA PeJP NA NA +PJ059726 PPQRWW C43H56N12O8 868.4344 NA PeJP NA NA +PJ059727 GAPPRWW C43H56N12O8 868.4345 NA PeJP NA NA +PJ059728 SVLKEMY C39H64N8O12S 868.4365 NA PeJP NA NA +PJ059729 APCKKHW C40H60N12O8S 868.4378 NA PeJP NA NA +PJ059730 SSTQKRY C36H60N12O13 868.4403 NA PeJP NA NA +PJ059731 GGGGGGGGAPLL C36H60N12O13 868.4404 NA PeJP NA NA +PJ059732 LMMRRY C37H64N12O8S2 868.4412 NA PeJP NA NA +PJ059733 SQHRRW C37H56N16O9 868.4417 NA PeJP NA NA +3627 NA FRAEHPL 868.442 ACE inhibitor Inhouse_peptide NA peptide +PJ059734 GSTKKYW C41H60N10O11 868.4443 NA PeJP NA NA +PJ059735 GGPPVKEW C41H60N10O11 868.4444 NA PeJP NA NA +PJ059736 AAQMHRR C34H60N16O9S 868.445 NA PeJP NA NA +MJ096573 Furosta-5,20(22),25(27)-triene-1,3,26-triol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 26-O-?-D-glucopyranosyl C44H68O17 868.44565 NA MeJP NA NA +MJ096574 Luzonicoside A C44H68O17 868.44565 NA MeJP NA NA +MJ096575 Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-O-?-L-arabinopyranoside] C44H68O17 868.44565 NA MeJP NA NA +PJ059737 GKHRWW C42H56N14O7 868.4457 NA PeJP NA NA +PJ059738 SSLLMRY C38H64N10O11S 868.4477 NA PeJP NA NA +PJ059739 PLKYYW C46H60N8O9 868.4484 NA PeJP NA NA +MJ096576 Cholestane-3,6,7,8,15,24-hexol, 24-O-[6-Deoxy-2,4-di-O-methyl-?-D-glucopyranosyl-(1?2)-6-deoxy-5-O-sulfo-?-D-galactofuranoside] C41H72O17S 868.449021 NA MeJP NA NA +3568 NA QSEPKAIP 868.451 ACE inhibitor Inhouse_peptide NA peptide +PJ059740 SPPQERR C35H60N14O12 868.4515 NA PeJP NA NA +PJ059741 GGPPTERR C35H60N14O12 868.4516 NA PeJP NA NA +PJ059742 APLKMFY C43H64N8O9S 868.4517 NA PeJP NA NA +PJ059743 SSSSLLLY C39H64N8O14 868.4542 NA PeJP NA NA +PJ059744 ALLKMMY C40H68N8O9S2 868.4551 NA PeJP NA NA +PJ059745 GPPKERW C40H60N12O10 868.4556 NA PeJP NA NA +PJ059746 NMHRRR C33H60N18O8S 868.4563 NA PeJP NA NA +PJ059747 GSKKMRY C37H64N12O10S 868.4589 NA PeJP NA NA +PJ059748 VVVEMHR C37H64N12O10S 868.459 NA PeJP NA NA +PJ059749 GPPVKWW C45H60N10O8 868.4596 NA PeJP NA NA +MJ096577 3,16,17-Trihydroxycholest-5-en-22-one, 16-O-[E-Cinnamoyl-(?2)-?-D-xylopyranosyl-(1?3)-2-O-acetyl-?-L-arabinopyranoside] C48H68O14 868.460906 NA MeJP NA NA +PJ059750 GSKEHRR C34H60N16O11 868.4628 NA PeJP NA NA +PJ059751 GLLLMHW C42H64N10O8S 868.463 NA PeJP NA NA +PJ059752 SSKKKEY C38H64N10O13 868.4655 NA PeJP NA NA +PJ059753 GKKKMMF C39H68N10O8S2 868.4663 NA PeJP NA NA +MJ096578 Cus 2 C41H72O19 868.46678 NA MeJP NA NA +PJ059754 GPPTRRW C39H60N14O9 868.4668 NA PeJP NA NA +PJ059755 SPVLKYY C43H64N8O11 868.4695 NA PeJP NA NA +PJ059756 PPVNMRR C36H64N14O9S 868.4702 NA PeJP NA NA +PJ059757 PPKRWW C44H60N12O7 868.4708 NA PeJP NA NA +PJ059758 TTLLKMY C40H68N8O11S 868.4729 NA PeJP NA NA +PJ059759 GSTHRRR C33H60N18O10 868.474 NA PeJP NA NA +PJ059760 LMFFRR C41H64N12O7S 868.4742 NA PeJP NA NA +PJ059761 SSTKKRY C37H64N12O12 868.4767 NA PeJP NA NA +PJ059762 SKHRRW C38H60N16O8 868.478 NA PeJP NA NA +PJ059763 GLLHHHR C38H60N16O8 868.4781 NA PeJP NA NA +PJ059764 STLLLHW C42H64N10O10 868.4807 NA PeJP NA NA +PJ059765 GPPMRRR C35H64N16O8S 868.4814 NA PeJP NA NA +C08897 Dioscin C45H72O16 868.482 NA KEGG NA NA +C08940 Desglucomusennin C45H72O16 868.482 NA KEGG NA NA +MJ096579 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2,3-Di-O-acetyl-?-D-xylopyranoside), 6-O-?-D-glucopyranoside C45H72O16 868.482036 NA MeJP NA NA +MJ096580 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2,4-Di-O-acetyl-?-D-xylopyranoside), 6-O-?-D-glucopyranoside C45H72O16 868.482036 NA MeJP NA NA +MJ096581 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[2-O-Acetyl-?-D-xylopyranoside], 6-O-[6-O-acetyl-?-D-glucopyranoside] C45H72O16 868.482036 NA MeJP NA NA +MJ096582 20,24-Epoxycycloartane-3,6,16,25-tetrol, 6-O-?-D-Glucopyranoside, 3-(2,3-di-O-acetyl-?-D-xylopyranoside) C45H72O16 868.482036 NA MeJP NA NA +MJ096583 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?2)-?-L-arabinopyranoside] C45H72O16 868.482036 NA MeJP NA NA +MJ096584 Furosta-5,20(22)-diene-3,26-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] C45H72O16 868.482036 NA MeJP NA NA +MJ096585 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] C45H72O16 868.482036 NA MeJP NA NA +MJ096586 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C45H72O16 868.482036 NA MeJP NA NA +MJ096587 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C45H72O16 868.482036 NA MeJP NA NA +MJ096588 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C45H72O16 868.482036 NA MeJP NA NA +MJ096589 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] C45H72O16 868.482036 NA MeJP NA NA +MJ096590 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C45H72O16 868.482036 NA MeJP NA NA +MJ096591 Spirost-5-en-3-ol, O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H72O16 868.482036 NA MeJP NA NA +PJ059766 ATKKKMY C39H68N10O10S 868.4841 NA PeJP NA NA +PJ059767 LLKFYW C47H64N8O8 868.4847 NA PeJP NA NA +PJ059768 PPPLLFW C47H64N8O8 868.4848 NA PeJP NA NA +PJ059769 SPPKERR C36H64N14O11 868.4879 NA PeJP NA NA +PJ059770 GAAPLERR C36H64N14O11 868.488 NA PeJP NA NA +PJ059771 PPLLLMW C44H68N8O8S 868.4881 NA PeJP NA NA +PJ059772 GPVLLLEE C40H68N8O13 868.4906 NA PeJP NA NA +PJ059773 SPPVKRW C41H64N12O9 868.492 NA PeJP NA NA +PJ059774 SLLLMHR C38H68N12O9S 868.4953 NA PeJP NA NA +MJ096592 Brevetoxin A; 44-Alcohol C49H72O13 868.497292 NA MeJP NA NA +PJ059775 GPVERRR C35H64N16O10 868.4992 NA PeJP NA NA +PJ059776 TTTKKKY C39H68N10O12 868.5018 NA PeJP NA NA +PJ059777 PLLLEER C39H68N10O12 868.5019 NA PeJP NA NA +PJ059778 AAPLRRW C40H64N14O8 868.5032 NA PeJP NA NA +PJ059779 PVLLLEW C44H68N8O10 868.5059 NA PeJP NA NA +PJ059780 PPCLKRR C37H68N14O8S 868.5066 NA PeJP NA NA +PJ059781 SPPVLLLM C41H72N8O10S 868.5093 NA PeJP NA NA +PJ059782 PERRRR C34H64N18O9 868.5104 NA PeJP NA NA +PJ059783 PVLQKER C38H68N12O11 868.5131 NA PeJP NA NA +PJ059784 PVRRRW C39H64N16O7 868.5144 NA PeJP NA NA +PJ059785 PPTLKKW C43H68N10O9 868.5171 NA PeJP NA NA +MJ096593 Dammar-24-ene-3,6,12,20-tetrol, 6-O-[2-Butenoyl-(?6)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C46H76O15 868.518421 NA MeJP NA NA +PJ059786 GPPVLKKM C40H72N10O9S 868.5205 NA PeJP NA NA +PJ059787 APLKERR C37H68N14O10 868.5243 NA PeJP NA NA +PJ059788 APTLLLLE C41H72N8O12 868.527 NA PeJP NA NA +PJ059789 KKKFRY C42H68N12O8 868.5283 NA PeJP NA NA +PJ059790 GPLLKRW C42H68N12O8 868.5284 NA PeJP NA NA +PJ059791 PPLKKMR C39H72N12O8S 868.5317 NA PeJP NA NA +PJ059792 APTLRRR C36H68N16O9 868.5356 NA PeJP NA NA +PJ059793 SSPPLLKK C40H72N10O11 868.5382 NA PeJP NA NA +PJ059794 AAPLLKKE C40H72N10O11 868.5383 NA PeJP NA NA +PJ059795 GPPLLLLF C45H72N8O9 868.5423 NA PeJP NA NA +PJ059796 GPLLLLLM C42H76N8O9S 868.5456 NA PeJP NA NA +PJ059797 PVLKKER C39H72N12O10 868.5495 NA PeJP NA NA +PJ059798 PVVLKKW C44H72N10O8 868.5535 NA PeJP NA NA +PJ059799 SPLLKRR C38H72N14O9 868.5607 NA PeJP NA NA +PJ059800 GVLLLLLE C42H76N8O11 868.5634 NA PeJP NA NA +MJ096594 Chimeramycin A; O-De-Ac C46H80N2O13 868.56604 NA MeJP NA NA +MJ096595 Tilmicosin C46H80N2O13 868.56604 NA MeJP NA NA +PJ059801 AVVLRRR C37H72N16O8 868.5719 NA PeJP NA NA +PJ059802 GVLLRRR C37H72N16O8 868.572 NA PeJP NA NA +PJ059803 LLLLLER C41H76N10O10 868.5746 NA PeJP NA NA +PJ059804 VLLLLLW C46H76N8O8 868.5787 NA PeJP NA NA +PJ059805 LLRRRR C36H72N18O7 868.5832 NA PeJP NA NA +PJ059806 VLLLQKR C40H76N12O9 868.5859 NA PeJP NA NA +PJ059807 ALLLKRR C39H76N14O8 868.5971 NA PeJP NA NA +PJ059808 ATLLLLLL C43H80N8O10 868.5998 NA PeJP NA NA +PJ059809 AALLLLKK C42H80N10O9 868.611 NA PeJP NA NA +PJ059810 VLLLKKR C41H80N12O8 868.6222 NA PeJP NA NA +PJ059811 PLKKKKK C41H80N12O8 868.6223 NA PeJP NA NA +7047 aurein 3,1 GLFDIVKKIAGHIAGSI 868.99895 MH2+ Inhouse_peptide NA peptide +PJ059812 GCCCCNMH C29H47N11O10S5 869.2111 NA PeJP NA NA +PJ059813 GCCNDDDE C29H43N9O18S2 869.2168 NA PeJP NA NA +PJ059814 CCCCEFY C35H47N7O11S4 869.2217 NA PeJP NA NA +PJ059815 SSCCCCQH C29H47N11O12S4 869.2289 NA PeJP NA NA +PJ059816 CCNDDDW C33H43N9O15S2 869.232 NA PeJP NA NA +PJ059817 GGCCDDDW C33H43N9O15S2 869.2321 NA PeJP NA NA +PJ059818 SSCNDDDD C29H43N9O20S 869.2345 NA PeJP NA NA +PJ059819 GGSSCDDDD C29H43N9O20S 869.2346 NA PeJP NA NA +PJ059820 SPCCCNDE C30H47N9O15S3 869.2354 NA PeJP NA NA +PJ059821 CCDMMMH C31H51N9O10S5 869.2363 NA PeJP NA NA +PJ059822 SCCCEYY C35H47N7O13S3 869.2394 NA PeJP NA NA +PJ059823 DDDDEMM C31H47N7O18S2 869.2419 NA PeJP NA NA +PJ059824 GSSSSCCCH C29H47N11O14S3 869.2466 NA PeJP NA NA +PJ059825 GGGCCNNDM C29H47N11O14S3 869.2467 NA PeJP NA NA +PJ059826 ACCCCCKH C30H51N11O9S5 869.2475 NA PeJP NA NA +PJ059827 GSPCCCDW C34H47N9O12S3 869.2507 NA PeJP NA NA +PJ059828 GSCNDDEM C30H47N9O17S2 869.2532 NA PeJP NA NA +PJ059829 GPCCNDMM C31H51N9O12S4 869.254 NA PeJP NA NA +PJ059830 GAAPCCCDM C31H51N9O12S4 869.2541 NA PeJP NA NA +PJ059831 CCCMHHH C32H47N13O8S4 869.2554 NA PeJP NA NA +PJ059832 DDDDDEF C34H43N7O20 869.2563 NA PeJP NA NA +PJ059833 GCCMMYY C36H51N7O10S4 869.2581 NA PeJP NA NA +PJ059834 CDDDEHH C32H43N11O16S 869.261 NA PeJP NA NA +PJ059835 CCCNNQW C33H47N11O11S3 869.2619 NA PeJP NA NA +PJ059836 GSCCDDDR C29H47N11O16S2 869.2644 NA PeJP NA NA +PJ059837 GPCCCCER C30H51N11O11S4 869.2653 NA PeJP NA NA +PJ059838 NNDDDDY C33H43N9O19 869.2676 NA PeJP NA NA +PJ059839 SCNDDMW C34H47N9O14S2 869.2684 NA PeJP NA NA +PJ059840 PCCCQMW C35H51N9O9S4 869.2693 NA PeJP NA NA +PJ059841 SSSNDDDM C30H47N9O19S 869.2709 NA PeJP NA NA +PJ059842 NNDDMMM C31H51N9O14S3 869.2718 NA PeJP NA NA +PJ059843 GCCDFYY C39H47N7O12S2 869.2724 NA PeJP NA NA +PJ059844 SCMMMMH C32H55N9O9S5 869.2727 NA PeJP NA NA +PJ059845 GPCCCNHH C32H47N13O10S3 869.2731 NA PeJP NA NA +PJ059846 GGGPCCCHH C32H47N13O10S3 869.2732 NA PeJP NA NA +PJ059847 PDDDDMY C35H47N7O17S 869.275 NA PeJP NA NA +PJ059848 STCCMYY C36H51N7O12S3 869.2758 NA PeJP NA NA +PJ059849 SDEEEMM C32H51N7O17S2 869.2783 NA PeJP NA NA +PJ059850 PDDMMMM C33H55N7O12S4 869.2792 NA PeJP NA NA +PJ059851 GSSCCNNW C33H47N11O13S2 869.2797 NA PeJP NA NA +PJ059852 PCCCCRW C34H51N11O8S4 869.2805 NA PeJP NA NA +PJ059853 GSSSSCNND C29H47N11O18S 869.2822 NA PeJP NA NA +PJ059854 CCNDEMR C30H51N11O13S3 869.283 NA PeJP NA NA +PJ059855 GGGGGGGSCMM C30H51N11O13S3 869.2831 NA PeJP NA NA +PJ059856 GSCCEWW C38H47N9O11S2 869.2837 NA PeJP NA NA +PJ059857 GSSSCDEW C34H47N9O16S 869.2862 NA PeJP NA NA +PJ059858 GCNEMMW C35H51N9O11S3 869.2871 NA PeJP NA NA +PJ059859 GSSSSSDDE C30H47N9O21 869.2887 NA PeJP NA NA +PJ059860 ATTCCDQE C31H51N9O16S2 869.2895 NA PeJP NA NA +PJ059861 GSSNDEMM C31H51N9O16S2 869.2896 NA PeJP NA NA +PJ059862 GSCDYYY C39H47N7O14S 869.2902 NA PeJP NA NA +PJ059863 GSPCNMMM C32H55N9O11S4 869.2904 NA PeJP NA NA +PJ059864 CNNDMHH C32H47N13O12S2 869.2909 NA PeJP NA NA +PJ059865 GCCMFFY C40H51N7O9S3 869.2911 NA PeJP NA NA +PJ059866 GDEEEEY C35H47N7O19 869.2927 NA PeJP NA NA +PJ059867 PDDDMMF C36H51N7O14S2 869.2936 NA PeJP NA NA +PJ059868 CCCDDRR C29H51N13O12S3 869.2943 NA PeJP NA NA +PJ059869 AEEEMMM C33H55N7O14S3 869.2969 NA PeJP NA NA +PJ059870 VDDEMMM C33H55N7O14S3 869.297 NA PeJP NA NA +PJ059871 CNNNNEY C33H47N11O15S 869.2974 NA PeJP NA NA +PJ059872 GCCDMRW C34H51N11O10S3 869.2983 NA PeJP NA NA +PJ059873 SCCWWW C42H47N9O8S2 869.2989 NA PeJP NA NA +PJ059874 GSSCDDMR C30H51N11O15S2 869.3008 NA PeJP NA NA +C04923 1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosaminyl)-1,2-alpha- C32H55NO26 869.3012 NA KEGG NA NA +C04924 N-Acetyl-D-galactosaminyl-1,4-beta-N-acetylneuraminyl-2,3-alpha-D- C50H86N3O26R 869.3012 NA KEGG NA NA +C04925 N-Acetyl-D-galactosaminyl-N-Acetyl-D-galactosaminyl-1,3-D- C53H92N3O28R 869.3012 NA KEGG NA NA +C04926 alpha-N-Acetylneuraminyl-2,3-beta-D-galactose-1,3-(alpha-N- C36H58N3O27R 869.3012 NA KEGG NA NA +C04927 N-Acetylneuraminyl-D-galactosyl-N-acetyl-D-galactosaminyl-(N- C67H113N4O39R 869.3012 NA KEGG NA NA +C04930 N-Acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,3-(N-acetyl- C30H50N3O21R 869.3012 NA KEGG NA NA +MetaCyc04218 1,3-α-D-mannosyl-1,2-(N-acetyl-α-D-glucosaminyl-α-D-mannosyl)-1,2-α-D-mannosyl-D-mannose [] C32H55N1O26 869.301231 NA metacyc NA NA +PJ059875 SSSCDWW C38H47N9O13S 869.3014 NA PeJP NA NA +PJ059876 GGGCDEFW C38H47N9O13S 869.3015 NA PeJP NA NA +PJ059877 GPTCCCMR C31H55N11O10S4 869.3017 NA PeJP NA NA +PJ059878 CNMMWW C39H51N9O8S3 869.3023 NA PeJP NA NA +PJ059879 SSSSSDDW C34H47N9O18 869.3039 NA PeJP NA NA +PJ059880 GGGGSDEEY C34H47N9O18 869.304 NA PeJP NA NA +PJ059881 SSNDMMW C35H51N9O13S2 869.3048 NA PeJP NA NA +PJ059882 PCCCKMW C36H55N9O8S4 869.3057 NA PeJP NA NA +PJ059883 ACCNHHW C36H47N13O9S2 869.3061 NA PeJP NA NA +PJ059884 GCCQHHW C36H47N13O9S2 869.3062 NA PeJP NA NA +PJ059885 SSSSNEEM C31H51N9O18S 869.3073 NA PeJP NA NA +PJ059886 DEEEYW C39H47N7O16 869.308 NA PeJP NA NA +PJ059887 SNQEMMM C32H55N9O13S3 869.3082 NA PeJP NA NA +PJ059888 GSSCNEHH C32H47N13O14S 869.3087 NA PeJP NA NA +PJ059889 CQMYYY C40H51N7O11S2 869.3088 NA PeJP NA NA +PJ059890 SPDEEMY C36H51N7O16S 869.3113 NA PeJP NA NA +PJ059891 SSSCCNNR C29H51N13O14S2 869.312 NA PeJP NA NA +PJ059892 PPCEMMY C37H55N7O11S3 869.3122 NA PeJP NA NA +PJ059893 GCNNNYW C37H47N11O12S 869.3127 NA PeJP NA NA +PJ059894 TTEEEMM C33H55N7O16S2 869.3147 NA PeJP NA NA +PJ059895 GSSNNNDY C33H47N11O17 869.3152 NA PeJP NA NA +PJ059896 PTEMMMM C34H59N7O11S4 869.3156 NA PeJP NA NA +PJ059897 SSCCERW C34H51N11O12S2 869.316 NA PeJP NA NA +PJ059898 GGPCCDRY C34H51N11O12S2 869.3161 NA PeJP NA NA +PJ059899 CNDFWW C42H47N9O10S 869.3167 NA PeJP NA NA +PJ059900 PCCHHHH C35H47N15O8S2 869.3174 NA PeJP NA NA +PJ059901 SSSSCDER C30H51N11O17S 869.3185 NA PeJP NA NA +PJ059902 GGGGGSSSSSM C30H51N11O17S 869.3186 NA PeJP NA NA +PJ059903 GSNDEYW C38H47N9O15 869.3192 NA PeJP NA NA +PJ059904 SCNEMMR C31H55N11O12S3 869.3194 NA PeJP NA NA +PJ059905 GSTCMWW C39H51N9O10S2 869.3201 NA PeJP NA NA +PJ059906 GSSSSEMW C35H51N9O15S 869.3226 NA PeJP NA NA +PJ059907 GSQMMMW C36H55N9O10S3 869.3234 NA PeJP NA NA +PJ059908 GGGAPCMMF C36H55N9O10S3 869.3235 NA PeJP NA NA +PJ059909 SSCNHHW C36H47N13O11S 869.3239 NA PeJP NA NA +PJ059910 GCCFFFF C44H51N7O8S2 869.3241 NA PeJP NA NA +PJ059911 GSSSSSTEE C31H51N9O20 869.3251 NA PeJP NA NA +PJ059912 GSSTQEMM C32H55N9O15S2 869.3259 NA PeJP NA NA +PJ059913 SSSSNDHH C32H47N13O16 869.3264 NA PeJP NA NA +PJ059914 EEEMFW C40H51N7O13S 869.3266 NA PeJP NA NA +PJ059915 AQQMMMM C33H59N9O10S4 869.3268 NA PeJP NA NA +PJ059916 CCNNNFR C33H51N13O11S2 869.3273 NA PeJP NA NA +PJ059917 ATEEEEY C36H51N7O18 869.3291 NA PeJP NA NA +PJ059918 APEEMMY C37H55N7O13S2 869.33 NA PeJP NA NA +PJ059919 SPNDDHW C37H47N11O14 869.3304 NA PeJP NA NA +PJ059920 SCCDMRR C30H55N13O11S3 869.3306 NA PeJP NA NA +PJ059921 TCCCERR C30H55N13O11S3 869.3307 NA PeJP NA NA +PJ059922 EMMHHW C38H51N11O9S2 869.3313 NA PeJP NA NA +PJ059923 SLEEMMM C34H59N7O13S3 869.3333 NA PeJP NA NA +PJ059924 GNDDMRY C34H51N11O14S 869.3338 NA PeJP NA NA +PJ059925 PVMMMMM C35H63N7O8S5 869.3342 NA PeJP NA NA +PJ059926 SNDYWW C42H47N9O12 869.3344 NA PeJP NA NA +PJ059927 GGSDYWW C42H47N9O12 869.3345 NA PeJP NA NA +PJ059928 GSCMMRW C35H55N11O9S3 869.3347 NA PeJP NA NA +PJ059929 ACEHHHH C35H47N15O10S 869.3351 NA PeJP NA NA +PJ059930 GDMHHHH C35H47N15O10S 869.3352 NA PeJP NA NA +PJ059931 CMHFFW C43H51N9O7S2 869.3353 NA PeJP NA NA +PJ059932 SSSSSSSNQ C30H51N11O19 869.3363 NA PeJP NA NA +PJ059933 GSSSDMMR C31H55N11O14S2 869.3372 NA PeJP NA NA +PJ059934 GSNNNNNH C31H47N15O15 869.3376 NA PeJP NA NA +PJ059935 GGGGGSNNNH C31H47N15O15 869.3377 NA PeJP NA NA +PJ059936 SSSSMWW C39H51N9O12S 869.3378 NA PeJP NA NA +PJ059937 GNMMMMR C32H59N11O9S4 869.338 NA PeJP NA NA +PJ059938 GGGMMMMR C32H59N11O9S4 869.3381 NA PeJP NA NA +PJ059939 SCCQHHR C32H51N15O10S2 869.3385 NA PeJP NA NA +PJ059940 SSSSSTEW C35H51N9O17 869.3403 NA PeJP NA NA +PJ059941 SSTQMMW C36H55N9O12S2 869.3412 NA PeJP NA NA +PJ059942 GNNNEHW C36H47N13O13 869.3417 NA PeJP NA NA +PJ059943 CQFFYY C44H51N7O10S 869.3418 NA PeJP NA NA +PJ059944 GCCKHHW C37H51N13O8S2 869.3425 NA PeJP NA NA +PJ059945 SSSSDKEM C32H55N9O17S 869.3437 NA PeJP NA NA +PJ059946 SSSTYYY C40H51N7O15 869.3443 NA PeJP NA NA +PJ059947 GPEEEFY C40H51N7O15 869.3444 NA PeJP NA NA +PJ059948 SNKEMMM C33H59N9O12S3 869.3446 NA PeJP NA NA +PJ059949 SCNNNRY C33H51N13O13S 869.345 NA PeJP NA NA +PJ059950 GGGGGGSCRY C33H51N13O13S 869.3451 NA PeJP NA NA +PJ059951 CKMYYY C41H55N7O10S2 869.3452 NA PeJP NA NA +PJ059952 DEHHFW C41H47N11O11 869.3457 NA PeJP NA NA +PJ059953 GLEEEMY C37H55N7O15S 869.3477 NA PeJP NA NA +PJ059954 PPTMMMY C38H59N7O10S3 869.3486 NA PeJP NA NA +PJ059955 CNERYW C38H51N11O11S 869.3491 NA PeJP NA NA +PJ059956 ACCMMRR C31H59N13O8S4 869.3493 NA PeJP NA NA +PJ059957 GSSSNQQY C34H51N11O16 869.3515 NA PeJP NA NA +PJ059958 SSNDERY C34H51N11O16 869.3516 NA PeJP NA NA +PJ059959 VVEMMMM C35H63N7O10S4 869.352 NA PeJP NA NA +PJ059960 SSTCMRW C35H55N11O11S2 869.3524 NA PeJP NA NA +PJ059961 GGGGGGCKMF C35H55N11O11S2 869.3525 NA PeJP NA NA +PJ059962 SSEHHHH C35H47N15O12 869.3529 NA PeJP NA NA +PJ059963 GQMYWW C43H51N9O9S 869.3531 NA PeJP NA NA +PJ059964 SSSSSEMR C31H55N11O16S 869.3549 NA PeJP NA NA +PJ059965 GSTQEYW C39H51N9O14 869.3556 NA PeJP NA NA +PJ059966 SSQMMMR C32H59N11O11S3 869.3558 NA PeJP NA NA +PJ059967 GSSSCHHR C32H51N15O12S 869.3563 NA PeJP NA NA +PJ059968 APCCKYW C40H55N9O9S2 869.3564 NA PeJP NA NA +PJ059969 GAQMMFW C40H55N9O9S2 869.3565 NA PeJP NA NA +PJ059970 NNNHWW C40H47N13O10 869.3569 NA PeJP NA NA +PJ059971 GSSTTTMW C36H55N9O14S 869.3589 NA PeJP NA NA +PJ059972 GNKEEMY C36H55N9O14S 869.359 NA PeJP NA NA +PJ059973 PEEFYW C44H51N7O12 869.3596 NA PeJP NA NA +PJ059974 GSKMMMW C37H59N9O9S3 869.3598 NA PeJP NA NA +PJ059975 GPCDHRW C37H51N13O10S 869.3603 NA PeJP NA NA +PJ059976 SSSSSSSLE C32H55N9O19 869.3614 NA PeJP NA NA +PJ059977 GSSTKEMM C33H59N9O14S2 869.3623 NA PeJP NA NA +PJ059978 GNEEEHR C33H51N13O15 869.3628 NA PeJP NA NA +PJ059979 LEEMYW C41H55N7O12S 869.363 NA PeJP NA NA +PJ059980 AQKMMMM C34H63N9O9S4 869.3632 NA PeJP NA NA +PJ059981 GCCEFRR C34H55N13O10S2 869.3637 NA PeJP NA NA +PJ059982 GCRYWW C42H51N11O8S 869.3643 NA PeJP NA NA +PJ059983 STLEEEY C37H55N7O17 869.3655 NA PeJP NA NA +PJ059984 SPLEMMY C38H59N7O12S2 869.3663 NA PeJP NA NA +PJ059985 VVDEMMF C38H59N7O12S2 869.3664 NA PeJP NA NA +PJ059986 GSSDRYW C38H51N11O13 869.3668 NA PeJP NA NA +PJ059987 SSCMMRR C31H59N13O10S3 869.367 NA PeJP NA NA +PJ059988 CQMFRW C39H55N11O8S2 869.3677 NA PeJP NA NA +PJ059989 GSQEMRY C35H55N11O13S 869.3702 NA PeJP NA NA +PJ059990 STQYWW C43H51N9O11 869.3708 NA PeJP NA NA +PJ059991 GGGAEFFW C43H51N9O11 869.3709 NA PeJP NA NA +PJ059992 ALMMMHH C36H59N11O8S3 869.3711 NA PeJP NA NA +PJ059993 GCNHHFR C36H51N15O9S 869.3715 NA PeJP NA NA +PJ059994 SSSSSSSNK C31H55N11O18 869.3727 NA PeJP NA NA +PJ059995 GSSTTMMR C32H59N11O13S2 869.3736 NA PeJP NA NA +PJ059996 GDDDHRR C32H51N15O14 869.374 NA PeJP NA NA +PJ059997 GGGGGGSEHR C32H51N15O14 869.3741 NA PeJP NA NA +PJ059998 NKEMYW C40H55N9O11S 869.3742 NA PeJP NA NA +PJ059999 ACKMMMR C33H63N11O8S4 869.3744 NA PeJP NA NA +PJ060000 SCCKHHR C33H55N15O9S2 869.3749 NA PeJP NA NA +PJ060001 SSSTTTTW C36H55N9O16 869.3767 NA PeJP NA NA +PJ060002 SSTKMMW C37H59N9O11S2 869.3776 NA PeJP NA NA +PJ060003 GSQQQHW C37H51N13O12 869.378 NA PeJP NA NA +PJ060004 NEEHRW C37H51N13O12 869.3781 NA PeJP NA NA +PJ060005 CKFFYY C45H55N7O9S 869.3782 NA PeJP NA NA +PJ060006 CCFRRW C38H55N13O7S2 869.3789 NA PeJP NA NA +PJ060007 SSSTTKEM C33H59N9O16S 869.3801 NA PeJP NA NA +PJ060008 GPLEEYY C41H55N7O14 869.3807 NA PeJP NA NA +PJ060009 SDKKMMM C34H63N9O11S3 869.3809 NA PeJP NA NA +PJ060010 GATTKMMM C34H63N9O11S3 869.381 NA PeJP NA NA +PJ060011 GSCERRY C34H55N13O12S 869.3814 NA PeJP NA NA +PJ060012 GGGGGGGALMH C34H55N13O12S 869.3815 NA PeJP NA NA +PJ060013 PPCLMFY C42H59N7O9S2 869.3816 NA PeJP NA NA +PJ060014 VNEHWW C42H51N11O10 869.3821 NA PeJP NA NA +PJ060015 SVLEEMY C38H59N7O14S 869.3841 NA PeJP NA NA +PJ060016 PVVMMMY C39H63N7O9S3 869.385 NA PeJP NA NA +PJ060017 SQMRYW C39H55N11O10S 869.3854 NA PeJP NA NA +PJ060018 PPPCDRW C39H55N11O10S 869.3855 NA PeJP NA NA +PJ060019 GQFFWW C47H51N9O8 869.3861 NA PeJP NA NA +PJ060020 SSTQERY C35H55N11O15 869.3879 NA PeJP NA NA +PJ060021 GGGGGSSTKY C35H55N11O15 869.388 NA PeJP NA NA +PJ060022 TLLMMMM C36H67N7O9S4 869.3883 NA PeJP NA NA +PJ060023 AAQMMRY C36H59N11O10S2 869.3888 NA PeJP NA NA +PJ060024 GSNNHRW C36H51N15O11 869.3893 NA PeJP NA NA +PJ060025 GKMYWW C44H55N9O8S 869.3895 NA PeJP NA NA +PJ060026 SSSTTTMR C32H59N11O15S 869.3913 NA PeJP NA NA +PJ060027 ATTTQYW C40H55N9O13 869.3919 NA PeJP NA NA +PJ060028 GSTKEYW C40H55N9O13 869.392 NA PeJP NA NA +PJ060029 SSKMMMR C33H63N11O10S3 869.3922 NA PeJP NA NA +PJ060030 ANNQMHR C33H55N15O11S 869.3926 NA PeJP NA NA +PJ060031 SPCDHRR C33H55N15O11S 869.3927 NA PeJP NA NA +PJ060032 QKMMFW C41H59N9O8S2 869.3928 NA PeJP NA NA +PJ060033 GEHRWW C41H51N13O9 869.3933 NA PeJP NA NA +PJ060034 GDKKEMY C37H59N9O13S 869.3953 NA PeJP NA NA +PJ060035 GPPPDKEM C37H59N9O13S 869.3954 NA PeJP NA NA +PJ060036 PLEYYW C45H55N7O11 869.396 NA PeJP NA NA +PJ060037 SCRRYW C38H55N13O9S 869.3967 NA PeJP NA NA +PJ060038 GVHWWW C46H51N11O7 869.3973 NA PeJP NA NA +PJ060039 SSSSSTTTL C33H59N9O18 869.3978 NA PeJP NA NA +PJ060040 SSSSLKMM C34H63N9O13S2 869.3987 NA PeJP NA NA +PJ060041 SSSDRRY C34H55N13O14 869.3992 NA PeJP NA NA +PJ060042 SPPLMYY C42H59N7O11S 869.3994 NA PeJP NA NA +PJ060043 AKKMMMM C35H67N9O8S4 869.3996 NA PeJP NA NA +PJ060044 NMMRRY C35H59N13O9S2 869.4 NA PeJP NA NA +PJ060045 GGMMRRY C35H59N13O9S2 869.4001 NA PeJP NA NA +PJ060046 LMHHFW C43H55N11O7S 869.4007 NA PeJP NA NA +PJ060047 ALLEMMY C39H63N7O11S2 869.4027 NA PeJP NA NA +PJ060048 GSTTRYW C39H55N11O12 869.4032 NA PeJP NA NA +PJ060049 GCNQHRR C32H55N17O10S 869.4039 NA PeJP NA NA +PJ060050 CKMFRW C40H59N11O7S2 869.4041 NA PeJP NA NA +PJ060051 GVHHHHF C40H51N15O8 869.4046 NA PeJP NA NA +PJ060052 GSKEMRY C36H59N11O12S 869.4066 NA PeJP NA NA +PJ060053 STKYWW C44H55N9O10 869.4072 NA PeJP NA NA +PJ060054 HRWWW C45H51N13O6 869.4086 NA PeJP NA NA +PJ060055 SSSCCKKK C33H63N11O12S2 869.4099 NA PeJP NA NA +PJ060056 GSEEHRR C33H55N15O13 869.4104 NA PeJP NA NA +PJ060057 GGGGGGGGAAPR C33H55N15O13 869.4105 NA PeJP NA NA +PJ060058 DKKMYW C41H59N9O10S 869.4106 NA PeJP NA NA +PJ060059 APCMHRR C34H59N15O8S2 869.4113 NA PeJP NA NA +PJ060060 SSKKEEY C37H59N9O15 869.4131 NA PeJP NA NA +PJ060061 GLQKMMY C38H63N9O10S2 869.414 NA PeJP NA NA +PJ060062 DKEHRW C38H55N13O11 869.4144 NA PeJP NA NA +PJ060063 GGGGSPPRW C38H55N13O11 869.4145 NA PeJP NA NA +PJ060064 PPCLFFF C46H59N7O8S 869.4146 NA PeJP NA NA +PJ060065 HHHHFR C39H51N17O7 869.4158 NA PeJP NA NA +PJ060066 STTTTTKM C34H63N9O15S 869.4165 NA PeJP NA NA +PJ060067 SPVLEYY C42H59N7O13 869.4171 NA PeJP NA NA +PJ060068 TTKKMMM C35H67N9O10S3 869.4173 NA PeJP NA NA +PJ060069 GSTMRRY C35H59N13O11S 869.4178 NA PeJP NA NA +PJ060070 PVVMMFF C43H63N7O8S2 869.418 NA PeJP NA NA +PJ060071 PPERWW C43H55N11O9 869.4185 NA PeJP NA NA +PJ060072 TTLLEMY C39H63N7O13S 869.4205 NA PeJP NA NA +PJ060073 VVLMMMF C40H67N7O8S3 869.4214 NA PeJP NA NA +PJ060074 SSNNHRR C32H55N17O12 869.4216 NA PeJP NA NA +PJ060075 GGSSNHRR C32H55N17O12 869.4217 NA PeJP NA NA +PJ060076 SKMRYW C40H59N11O9S 869.4218 NA PeJP NA NA +PJ060077 PPVWWW C48H55N9O7 869.4225 NA PeJP NA NA +PJ060078 SSTKERY C36H59N11O14 869.4243 NA PeJP NA NA +PJ060079 GGGGGPVLQE C36H59N11O14 869.4244 NA PeJP NA NA +PJ060080 AAKMMRY C37H63N11O9S2 869.4252 NA PeJP NA NA +PJ060081 SEHRRW C37H55N15O10 869.4257 NA PeJP NA NA +MJ096596 Ancorinoside A; Mg salt C41H67MgNO17 869.425941 NA MeJP NA NA +3549 NA SFLLRNPNDKYEPF 869.42635 MH2+ Inhouse_peptide NA peptide +PJ060082 SSSLKYW C41H59N9O12 869.4283 NA PeJP NA NA +PJ060083 PPVDKEW C41H59N9O12 869.4284 NA PeJP NA NA +PJ060084 AAEMHRR C34H59N15O10S 869.429 NA PeJP NA NA +PJ060085 GVDMHRR C34H59N15O10S 869.4291 NA PeJP NA NA +PJ060086 KKMMFW C42H63N9O7S2 869.4292 NA PeJP NA NA +PJ060087 SVHRWW C42H55N13O8 869.4297 NA PeJP NA NA +PJ060088 ATKKEMY C38H63N9O12S 869.4317 NA PeJP NA NA +PJ060089 LLEFYW C46H59N7O10 869.4324 NA PeJP NA NA +PJ060090 LQMHRW C39H59N13O8S 869.4331 NA PeJP NA NA +PJ060091 SSTTRRY C35H59N13O13 869.4356 NA PeJP NA NA +PJ060092 APLLMYY C43H63N7O10S 869.4357 NA PeJP NA NA +PJ060093 CLLLDFF C43H63N7O10S 869.4358 NA PeJP NA NA +PJ060094 APKMMHR C36H63N13O8S2 869.4364 NA PeJP NA NA +PJ060095 GVQHHHR C36H55N17O9 869.4369 NA PeJP NA NA +PJ060096 SLLLMMY C40H67N7O10S2 869.4391 NA PeJP NA NA +PJ060097 SPPVERW C40H59N11O11 869.4396 NA PeJP NA NA +PJ060098 DMHRRR C33H59N17O9S 869.4403 NA PeJP NA NA +PJ060099 ATTKMRY C37H63N11O11S 869.4429 NA PeJP NA NA +PJ060100 GGSCKKKY C37H63N11O11S 869.443 NA PeJP NA NA +PJ060101 APPTLWW C45H59N9O9 869.4436 NA PeJP NA NA +PJ060102 CLHRRW C38H59N15O7S 869.4443 NA PeJP NA NA +PJ060103 ATTEHRR C34H59N15O12 869.4468 NA PeJP NA NA +PJ060104 PPVLQMW C42H63N9O9S 869.447 NA PeJP NA NA +PJ060105 QHHHRR C35H55N19O8 869.4481 NA PeJP NA NA +PJ060106 GAHHHRR C35H55N19O8 869.4482 NA PeJP NA NA +PJ060107 TTTKKEY C38H63N9O14 869.4495 NA PeJP NA NA +PJ060108 AVKKMMY C39H67N9O9S2 869.4503 NA PeJP NA NA +PJ060109 GLKKMMY C39H67N9O9S2 869.4504 NA PeJP NA NA +PJ060110 GTTLHRW C39H59N13O10 869.4508 NA PeJP NA NA +PJ060111 GLLLEYY C43H63N7O12 869.4535 NA PeJP NA NA +PJ060112 PPVDMRR C36H63N13O10S 869.4542 NA PeJP NA NA +PJ060113 TLKHWW C44H59N11O8 869.4548 NA PeJP NA NA +PJ060114 GPVKHFW C44H59N11O8 869.4549 NA PeJP NA NA +PJ060115 GPNDRRR C33H59N17O11 869.458 NA PeJP NA NA +PJ060116 GGGPDRRR C33H59N17O11 869.4581 NA PeJP NA NA +PJ060117 APPLMRW C41H63N11O8S 869.4582 NA PeJP NA NA +PJ060118 TTTTKRY C37H63N11O13 869.4607 NA PeJP NA NA +PJ060119 PVKKMMH C38H67N11O8S2 869.4616 NA PeJP NA NA +PJ060120 PQQRRW C38H59N15O9 869.4621 NA PeJP NA NA +PJ060121 PPTLKEW C42H63N9O11 869.4647 NA PeJP NA NA +PJ060122 GGPVLLEW C42H63N9O11 869.4648 NA PeJP NA NA +PJ060123 GTLMHRR C35H63N15O9S 869.4654 NA PeJP NA NA +PJ060124 PKHFRW C43H59N13O7 869.4661 NA PeJP NA NA +PJ060125 STLKKMY C39H67N9O11S 869.4681 NA PeJP NA NA +PJ060126 LLLYYW C47H63N7O9 869.4688 NA PeJP NA NA +PJ060127 LKMHRW C40H63N13O7S 869.4695 NA PeJP NA NA +PJ060128 STLKEHR C36H63N13O12 869.4719 NA PeJP NA NA +PJ060129 APLEERR C36H63N13O12 869.472 NA PeJP NA NA +PJ060130 ALLLMFY C44H67N7O9S 869.4721 NA PeJP NA NA +PJ060131 APPHHRR C37H59N17O8 869.4733 NA PeJP NA NA +PJ060132 GPLLERW C41H63N11O10 869.476 NA PeJP NA NA +MJ096597 5-Spirosolene-3,23-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] C44H71NO16 869.477285 NA MeJP NA NA +MJ096598 5-Spirosolene-3,23-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] C44H71NO16 869.477285 NA MeJP NA NA +PJ060133 TLLQKMH C38H67N11O10S 869.4793 NA PeJP NA NA +PJ060134 PPLKEMR C38H67N11O10S 869.4794 NA PeJP NA NA +PJ060135 GPVLLWW C46H63N9O8 869.48 NA PeJP NA NA +PJ060136 STTLHRR C35H63N15O11 869.4832 NA PeJP NA NA +PJ060137 PPVLKMW C43H67N9O8S 869.4834 NA PeJP NA NA +PJ060138 KHHHRR C36H59N19O7 869.4845 NA PeJP NA NA +PJ060139 AAPLLKEE C39H67N9O13 869.4859 NA PeJP NA NA +PJ060140 LLLLMMH C40H71N9O8S2 869.4867 NA PeJP NA NA +PJ060141 GPVQKRW C40H63N13O9 869.4872 NA PeJP NA NA +PJ060142 SVLLLYY C44H67N7O11 869.4899 NA PeJP NA NA +PJ060143 PPTLMRR C37H67N13O9S 869.4906 NA PeJP NA NA +PJ060144 PLLRWW C45H63N11O7 869.4912 NA PeJP NA NA +PJ060145 GPTQRRR C34H63N17O10 869.4944 NA PeJP NA NA +MJ096599 Ebiratide C42H67N11O7S 869.494564 NA MeJP NA NA +PJ060146 PVLKEER C38H67N11O12 869.4971 NA PeJP NA NA +PJ060147 PQKRRW C39H63N15O8 869.4984 NA PeJP NA NA +PJ060148 GAPKRRW C39H63N15O8 869.4985 NA PeJP NA NA +PJ060149 PVVLKEW C43H67N9O10 869.5011 NA PeJP NA NA +PJ060150 ACKKKHR C36H67N15O8S 869.5018 NA PeJP NA NA +PJ060151 APPTLLKM C40H71N9O10S 869.5045 NA PeJP NA NA +PJ060152 ALLLFFF C48H67N7O8 869.5051 NA PeJP NA NA +PJ060153 VVVLFFF C48H67N7O8 869.5052 NA PeJP NA NA +PJ060154 SPLLERR C37H67N13O11 869.5083 NA PeJP NA NA +PJ060155 GGPVKKER C37H67N13O11 869.5084 NA PeJP NA NA +PJ060156 VHFRRR C38H63N17O7 869.5097 NA PeJP NA NA +PJ060157 SPVLLRW C42H67N11O9 869.5124 NA PeJP NA NA +PJ060158 PLLLQMR C39H71N11O9S 869.5157 NA PeJP NA NA +PJ060159 GPKKERR C36H67N15O10 869.5196 NA PeJP NA NA +PJ060160 GPTLLLKE C40H71N9O12 869.5223 NA PeJP NA NA +PJ060161 GPVKKRW C41H67N13O8 869.5236 NA PeJP NA NA +PJ060162 PVVLMRR C38H71N13O8S 869.527 NA PeJP NA NA +PJ060163 GPTKRRR C35H67N17O9 869.5308 NA PeJP NA NA +PJ060164 VLLLQER C39H71N11O11 869.5335 NA PeJP NA NA +PJ060165 PKKRRW C40H67N15O7 869.5348 NA PeJP NA NA +PJ060166 PTLLLKW C44H71N9O9 869.5375 NA PeJP NA NA +PJ060167 GPVLLLKM C41H75N9O9S 869.5409 NA PeJP NA NA +PJ060168 VQRRRR C34H67N19O8 869.542 NA PeJP NA NA +PJ060169 GGLRRRR C34H67N19O8 869.5421 NA PeJP NA NA +PJ060170 ALLLERR C38H71N13O10 869.5447 NA PeJP NA NA +PJ060171 APLKKKW C43H71N11O8 869.5487 NA PeJP NA NA +PJ060172 GLLLLRW C43H71N11O8 869.5488 NA PeJP NA NA +MJ096600 Mycobactin; Mycobactin P C47H75N5O10 869.551393 NA MeJP NA NA +PJ060173 PLLLKMR C40H75N11O8S 869.5521 NA PeJP NA NA +PJ060174 ARRRRR C33H67N21O7 869.5533 NA PeJP NA NA +PJ060175 SPVKKRR C37H71N15O9 869.556 NA PeJP NA NA +PJ060176 AALLLLKE C41H75N9O11 869.5586 NA PeJP NA NA +PJ060177 GVVLLLKE C41H75N9O11 869.5587 NA PeJP NA NA +PJ060178 AALKRRR C36H71N17O8 869.5672 NA PeJP NA NA +PJ060179 VLLLKER C40H75N11O10 869.5699 NA PeJP NA NA +PJ060180 VVLLLKW C45H75N9O8 869.5739 NA PeJP NA NA +PJ060181 VKRRRR C35H71N19O7 869.5784 NA PeJP NA NA +PJ060182 SLLLLRR C39H75N13O9 869.5811 NA PeJP NA NA +PJ060183 GLLKKRR C38H75N15O8 869.5923 NA PeJP NA NA +PJ060184 GTLLLLLK C42H79N9O10 869.595 NA PeJP NA NA +PJ060185 LLLQKKK C41H79N11O9 869.6063 NA PeJP NA NA +EUR998 PC 38:4 [M-H+acetate]- C46H84NO8P 869.614557 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR998 PC 38:4 [M-H+acetate]- C46H84NO8P 869.614557 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR998 PC 38:4 [M-H+acetate]- C46H84NO8P 869.614557 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR998 PC 38:4 [M-H+acetate]- C46H84NO8P 869.614557 masses lipides attendues Inhousejuil11 NA NA +PJ060186 VVLKKKR C40H79N13O8 869.6175 NA PeJP NA NA +PJ060187 LLLKKKK C42H83N11O8 869.6426 NA PeJP NA NA +EUR1133 SM(d18:1/24:4) [M-H+acetate]- C47H90N2O6P 869.674751 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1133 SM(d18:1/24:4) [M-H+acetate]- C47H90N2O6P 869.674751 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1133 SM(d18:1/24:4) [M-H+acetate]- C47H90N2O6P 869.674751 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1133 SM(d18:1/24:4) [M-H+acetate]- C47H90N2O6P 869.674751 masses lipides attendues Inhousejuil11 NA NA +HMDB08092 PC(18:1(11Z)/24:1(15Z)) C50H96NO8P 869.687378 NA HMDB2010 NA NA +HMDB08125 PC(18:1(9Z)/24:1(15Z)) C50H96NO8P 869.687378 NA HMDB2010 NA NA +HMDB08157 PC(18:2(9Z,12Z)/24:0) C50H96NO8P 869.687378 NA HMDB2010 NA NA +HMDB08284 PC(20:0/22:2(13Z,16Z)) C50H96NO8P 869.687378 NA HMDB2010 NA NA +HMDB08316 PC(20:1(11Z)/22:1(13Z)) C50H96NO8P 869.687378 NA HMDB2010 NA NA +HMDB08348 PC(20:2(11Z,14Z)/22:0) C50H96NO8P 869.687378 NA HMDB2010 NA NA +HMDB08539 PC(22:0/20:2(11Z,14Z)) C50H96NO8P 869.687378 NA HMDB2010 NA NA +HMDB08570 PC(22:1(13Z)/20:1(11Z)) C50H96NO8P 869.687378 NA HMDB2010 NA NA +HMDB08602 PC(22:2(13Z,16Z)/20:0) C50H96NO8P 869.687378 NA HMDB2010 NA NA +HMDB08763 PC(24:0/18:2(9Z,12Z)) C50H96NO8P 869.687378 NA HMDB2010 NA NA +HMDB08794 PC(24:1(15Z)/18:1(11Z)) C50H96NO8P 869.687378 NA HMDB2010 NA NA +HMDB08795 PC(24:1(15Z)/18:1(9Z)) C50H96NO8P 869.687378 NA HMDB2010 NA NA +2768 NA KNNQKSEPLIGRKKT 869.9914 MH2+ Inhouse_peptide NA peptide +HMDB03834 P1,P4-Bis(5'-xanthosyl) tetraphosphate C20H26N8O23P4 870.0061 http://www.hmdb.ca/metabolites/HMDB03834 HMDB NA NA +C04392 P1,P4-Bis(5'-xanthosyl) tetraphosphate C20H26N8O23P4 870.0061 NA KEGG NA NA +HMDB03834 P1,P4-Bis(5'-xanthosyl) tetraphosphate C20H26N8O23P4 870.0061 HMDB03834 PFEM_hmdb_metabocards_official NA NA +HMDB03834 P1,P4-Bis(5'-xanthosyl) tetraphosphate C20H26N8O23P4 870.006104 NA HMDB2010 NA NA +MJ096601 P1,P4-Bis(5'-xanthosyl) tetraphosphate C20H26N8O23P4 870.006125 NA MeJP NA NA +PJ060188 CCCCCCCM C26H46N8O9S8 870.1154 NA PeJP NA NA +MJ096602 Fucopentaphlorethol A C42H30O21 870.127958 NA MeJP NA NA +PJ060189 ACCCCCCY C30H46N8O10S6 870.1662 NA PeJP NA NA +PJ060190 PCCCCCCH C29H46N10O9S6 870.1774 NA PeJP NA NA +PJ060191 SSCCCCCY C30H46N8O12S5 870.1839 NA PeJP NA NA +PJ060192 GCCCCDMH C29H46N10O11S5 870.1952 NA PeJP NA NA +PJ060193 GCCDDDDE C29H42N8O19S2 870.2008 NA PeJP NA NA +PJ060194 SSCCCCEH C29H46N10O13S4 870.2129 NA PeJP NA NA +PJ060195 CCDDDDW C33H42N8O16S2 870.2161 NA PeJP NA NA +PJ060196 CCCCNYY C34H46N8O11S4 870.2169 NA PeJP NA NA +C08550 Iresinin I C36H42N2O23 870.2178 NA KEGG NA NA +MJ096603 Betanidin; 15-Epimer, 5-O-[?-D-glucuronopyranosyl-(?2)-[3-hydroxy-3-methylglutaryl-(?6)]-?-D-glucopyranoside] C36H42N2O23 870.217835 NA MeJP NA NA +MJ096604 Betanidin; 5-O-[?-D-Glucuronopyranosyl-(1?2)-[3-hydroxy-3-methylglutaryl-(?6)]-?-D-glucopyranoside] C36H42N2O23 870.217835 NA MeJP NA NA +PJ060197 SSCDDDDD C29H42N8O21S 870.2186 NA PeJP NA NA +PJ060198 SPCCCDDE C30H46N8O16S3 870.2194 NA PeJP NA NA +PJ060199 PPCCCCDM C31H50N8O11S5 870.2203 NA PeJP NA NA +PJ060200 GCCNNDDM C29H46N10O15S3 870.2307 NA PeJP NA NA +PJ060201 GSCCCMMH C30H50N10O10S5 870.2315 NA PeJP NA NA +PJ060202 GSCDDDEM C30H46N8O18S2 870.2372 NA PeJP NA NA +PJ060203 GPCCDDMM C31H50N8O13S4 870.2381 NA PeJP NA NA +PJ060204 SCCCNNNN C28H46N12O14S3 870.2419 NA PeJP NA NA +MJ096605 3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, 4-O-?-D-Glucopyranoside, 9-(2,3,4,5,6,7-hexahydroxyheptyl) ester, 9'-(shikim-5-yl) ester C38H46O23 870.242987 NA MeJP NA NA +PJ060205 CCCNNEW C33H46N10O12S3 870.2459 NA PeJP NA NA +PJ060206 SSCCNNDE C29H46N10O17S2 870.2484 NA PeJP NA NA +PJ060207 SSTCCCMH C30H50N10O12S4 870.2493 NA PeJP NA NA +PJ060208 NDDDDDY C33H42N8O20 870.2516 NA PeJP NA NA +PJ060209 SCDDDMW C34H46N8O15S2 870.2524 NA PeJP NA NA +PJ060210 GPCCDDDF C34H46N8O15S2 870.2525 NA PeJP NA NA +PJ060211 PCCCEMW C35H50N8O10S4 870.2533 NA PeJP NA NA +PJ060212 SSSDDDDM C30H46N8O20S 870.2549 NA PeJP NA NA +PJ060213 NDDDMMM C31H50N8O15S3 870.2558 NA PeJP NA NA +PJ060214 SPPCCCMM C32H54N8O10S5 870.2567 NA PeJP NA NA +PJ060215 GPCCCDHH C32H46N12O11S3 870.2572 NA PeJP NA NA +PJ060216 GCCCNWW C37H46N10O9S3 870.2612 NA PeJP NA NA +PJ060217 GSSCCNDW C33H46N10O14S2 870.2637 NA PeJP NA NA +PJ060218 CCCQMHF C34H50N10O9S4 870.2645 NA PeJP NA NA +PJ060219 GACCCMHF C34H50N10O9S4 870.2646 NA PeJP NA NA +PJ060220 GSSSSCNDD C29H46N10O19S 870.2662 NA PeJP NA NA +PJ060221 GSCNNDMM C30H50N10O14S3 870.267 NA PeJP NA NA +PJ060222 CCDDEMR C30H50N10O14S3 870.2671 NA PeJP NA NA +MJ096606 Pradimicin L C41H46N2O19 870.269477 NA MeJP NA NA +PJ060223 GSPCDDDY C34H46N8O17S 870.2702 NA PeJP NA NA +PJ060224 GCDEMMW C35H50N8O12S3 870.2711 NA PeJP NA NA +PJ060225 GSSDDEMM C31H50N8O17S2 870.2736 NA PeJP NA NA +PJ060226 GSPCDMMM C32H54N8O12S4 870.2744 NA PeJP NA NA +PJ060227 CNDDMHH C32H46N12O13S2 870.2749 NA PeJP NA NA +PJ060228 CCCCHFR C33H50N12O8S4 870.2758 NA PeJP NA NA +PJ060229 GSCCCNER C29H50N12O13S3 870.2783 NA PeJP NA NA +PJ060230 CNNNDEY C33H46N10O16S 870.2814 NA PeJP NA NA +PJ060231 GGGGGGCDEY C33H46N10O16S 870.2815 NA PeJP NA NA +PJ060232 SCCNQMW C34H50N10O11S3 870.2823 NA PeJP NA NA +PJ060233 SSSCNNEM C30H50N10O16S2 870.2848 NA PeJP NA NA +PJ060234 GCDDEFW C38H46N8O14S 870.2855 NA PeJP NA NA +PJ060235 CNNQMMM C31H54N10O11S4 870.2857 NA PeJP NA NA +PJ060236 GSCCNNHH C31H46N14O12S2 870.2861 NA PeJP NA NA +PJ060237 GGGSCCNHH C31H46N14O12S2 870.2862 NA PeJP NA NA +PJ060238 CDMMWW C39H50N8O9S3 870.2863 NA PeJP NA NA +PJ060239 SDDDQEY C34H46N8O19 870.2879 NA PeJP NA NA +PJ060240 SNDDEEY C34H46N8O19 870.288 NA PeJP NA NA +PJ060241 SSDDMMW C35H50N8O14S2 870.2888 NA PeJP NA NA +PJ060242 PTCCMMW C36H54N8O9S4 870.2897 NA PeJP NA NA +PJ060243 GCCEHHW C36H46N12O10S2 870.2902 NA PeJP NA NA +PJ060244 SSSSDEEM C31H50N8O19S 870.2913 NA PeJP NA NA +PJ060245 SNEEMMM C32H54N8O14S3 870.2922 NA PeJP NA NA +PJ060246 GSSCDEHH C32H46N12O15S 870.2927 NA PeJP NA NA +PJ060247 CEMYYY C40H50N6O12S2 870.2928 NA PeJP NA NA +PJ060248 PCQMMMM C33H58N8O9S5 870.2931 NA PeJP NA NA +MJ096607 Asperchrome D C33H52FeN9O15 870.293229 NA MeJP NA NA +PJ060249 SCCCNRW C33H50N12O10S3 870.2935 NA PeJP NA NA +MJ096608 Catalpol; 6-O-[3,4-bis-O-(4-methoxy-E-cinnamoyl)-?-L-rhamnopyranoside] C43H50O19 870.294629 NA MeJP NA NA +PJ060250 SSSCCNDR C29H50N12O15S2 870.296 NA PeJP NA NA +PJ060251 GCNNDYW C37H46N10O13S 870.2967 NA PeJP NA NA +PJ060252 CCNNMMR C30H54N12O10S4 870.2969 NA PeJP NA NA +PJ060253 GSSNNDDY C33H46N10O18 870.2992 NA PeJP NA NA +PJ060254 GSSSCNMW C34H50N10O13S2 870.3001 NA PeJP NA NA +PJ060255 CDDFWW C42H46N8O11S 870.3007 NA PeJP NA NA +PJ060256 CCCKMHF C35H54N10O8S4 870.3009 NA PeJP NA NA +PJ060257 ASSSSSCNE C30H50N10O18S 870.3025 NA PeJP NA NA +PJ060258 GSSSSSNDM C30H50N10O18S 870.3026 NA PeJP NA NA +PJ060259 GSDDEYW C38H46N8O16 870.3032 NA PeJP NA NA +PJ060260 SCDEMMR C31H54N10O13S3 870.3034 NA PeJP NA NA +PJ060261 GPCDMYW C39H50N8O11S2 870.3041 NA PeJP NA NA +PJ060262 PCCMMMR C32H58N10O8S5 870.3043 NA PeJP NA NA +PJ060263 CCHHWW C40H46N12O7S2 870.3054 NA PeJP NA NA +PJ060264 GNEEEMY C35H50N8O16S 870.3066 NA PeJP NA NA +PJ060265 ASDMMMW C36H54N8O11S3 870.3074 NA PeJP NA NA +PJ060266 GSEMMMW C36H54N8O11S3 870.3075 NA PeJP NA NA +PJ060267 SSCDHHW C36H46N12O12S 870.3079 NA PeJP NA NA +PJ060268 CCCCQRR C29H54N14O9S4 870.3081 NA PeJP NA NA +PJ060269 GACCCCRR C29H54N14O9S4 870.3082 NA PeJP NA NA +PJ060270 VTTTCCDE C32H54N8O16S2 870.3099 NA PeJP NA NA +PJ060271 GSSTEEMM C32H54N8O16S2 870.31 NA PeJP NA NA +PJ060272 SSSSDDHH C32H46N12O17 870.3104 NA PeJP NA NA +PJ060273 GGGGGGDEEH C32H46N12O17 870.3105 NA PeJP NA NA +PJ060274 AQEMMMM C33H58N8O11S4 870.3108 NA PeJP NA NA +PJ060275 CCNNDFR C33H50N12O12S2 870.3113 NA PeJP NA NA +PJ060276 SPDDDHW C37H46N10O15 870.3144 NA PeJP NA NA +PJ060277 GSSCCQMR C30H54N12O12S3 870.3147 NA PeJP NA NA +PJ060278 GCNNMFW C38H50N10O10S2 870.3153 NA PeJP NA NA +PJ060279 SSSSSCQW C34H50N10O15S 870.3178 NA PeJP NA NA +PJ060280 SDDYWW C42H46N8O13 870.3185 NA PeJP NA NA +PJ060281 SCCNKMW C35H54N10O10S3 870.3187 NA PeJP NA NA +PJ060282 SSSSSSSNE C30H50N10O20 870.3203 NA PeJP NA NA +PJ060283 SSSSNQMM C31H54N10O15S2 870.3212 NA PeJP NA NA +PJ060284 GSNNNNDH C31H46N14O16 870.3217 NA PeJP NA NA +PJ060285 NEEMYW C39H50N8O13S 870.3218 NA PeJP NA NA +PJ060286 GGPCDEFF C39H50N8O13S 870.3219 NA PeJP NA NA +PJ060287 CNNKMMM C32H58N10O10S4 870.322 NA PeJP NA NA +PJ060288 GDMMMMR C32H58N10O10S4 870.3221 NA PeJP NA NA +PJ060289 SCCEHHR C32H50N14O11S2 870.3225 NA PeJP NA NA +PJ060290 SMMMWW C40H54N8O8S3 870.3227 NA PeJP NA NA +PJ060291 SSQEEEY C35H50N8O18 870.3243 NA PeJP NA NA +PJ060292 PPPTDDDD C35H50N8O18 870.3244 NA PeJP NA NA +PJ060293 SSTEMMW C36H54N8O13S2 870.3252 NA PeJP NA NA +PJ060294 GNNDEHW C36H46N12O14 870.3257 NA PeJP NA NA +PJ060295 PCYYYY C44H50N6O11S 870.3258 NA PeJP NA NA +PJ060296 CEFFYY C44H50N6O11S 870.3259 NA PeJP NA NA +PJ060297 AAMMMMW C37H58N8O8S4 870.3261 NA PeJP NA NA +PJ060298 ASCMHHW C37H50N12O9S2 870.3265 NA PeJP NA NA +PJ060299 GTCMHHW C37H50N12O9S2 870.3266 NA PeJP NA NA +PJ060300 SSSTTEEM C32H54N8O18S 870.3277 NA PeJP NA NA +PJ060301 SDKEMMM C33H58N8O13S3 870.3286 NA PeJP NA NA +PJ060302 SCNNDRY C33H50N12O14S 870.329 NA PeJP NA NA +PJ060303 GGSCNDRY C33H50N12O14S 870.3291 NA PeJP NA NA +PJ060304 TMMYYY C41H54N6O11S2 870.3292 NA PeJP NA NA +PJ060305 PCKMMMM C34H62N8O8S5 870.3295 NA PeJP NA NA +PJ060306 GQMMMHH C34H54N12O9S3 870.3299 NA PeJP NA NA +PJ060307 SCNHHHH C34H46N16O10S 870.3304 NA PeJP NA NA +MJ096609 Bussein E C44H54O18 870.331014 NA MeJP NA NA +PJ060308 SSSSCNMR C30H54N12O14S2 870.3324 NA PeJP NA NA +PJ060309 CDERYW C38H50N10O12S 870.3331 NA PeJP NA NA +PJ060310 CCCQKMR C31H58N12O9S4 870.3333 NA PeJP NA NA +PJ060311 GSSSSSSSW C34H50N10O17 870.3356 NA PeJP NA NA +PJ060312 GSSTCCKW C35H54N10O12S2 870.3364 NA PeJP NA NA +PJ060313 GGGGAQMMY C35H54N10O12S2 870.3365 NA PeJP NA NA +PJ060314 PNDDHHH C35H46N14O13 870.3369 NA PeJP NA NA +PJ060315 GEMYWW C43H50N8O10S 870.3371 NA PeJP NA NA +PJ060316 GSSSSSTQM C31H54N10O17S 870.3389 NA PeJP NA NA +PJ060317 GSTEEYW C39H50N8O15 870.3396 NA PeJP NA NA +PJ060318 SSEMMMR C32H58N10O12S3 870.3398 NA PeJP NA NA +PJ060319 NNNNQMH C32H50N14O13S 870.3403 NA PeJP NA NA +PJ060320 GSPMMYW C40H54N8O10S2 870.3405 NA PeJP NA NA +PJ060321 NNDHWW C40H46N12O11 870.3409 NA PeJP NA NA +PJ060322 GGGGDHWW C40H46N12O11 870.341 NA PeJP NA NA +PJ060323 GCMMHHR C33H54N14O8S3 870.3412 NA PeJP NA NA +PJ060324 GDKEEMY C36H54N8O15S 870.343 NA PeJP NA NA +PJ060325 AEYYYY C44H50N6O13 870.3436 NA PeJP NA NA +PJ060326 ATTMMMW C37H58N8O10S3 870.3438 NA PeJP NA NA +PJ060327 SSSMHHW C37H50N12O11S 870.3443 NA PeJP NA NA +PJ060328 CCCCKRR C30H58N14O8S4 870.3445 NA PeJP NA NA +PJ060329 SSSSLEMM C33H58N8O15S2 870.3463 NA PeJP NA NA +PJ060330 GDEEEHR C33H50N12O16 870.3468 NA PeJP NA NA +PJ060331 AKEMMMM C34H62N8O10S4 870.3472 NA PeJP NA NA +PJ060332 GCNQMRY C34H54N12O11S2 870.3477 NA PeJP NA NA +PJ060333 PDMHWW C42H50N10O9S 870.3483 NA PeJP NA NA +PJ060334 GSSSSSTCR C30H54N12O16S 870.3502 NA PeJP NA NA +PJ060335 SSSNQYW C38H50N10O14 870.3508 NA PeJP NA NA +PJ060336 GGGGPPDEW C38H50N10O14 870.3509 NA PeJP NA NA +PJ060337 ASTCCCKR C31H58N12O11S3 870.351 NA PeJP NA NA +PJ060338 GSSCCKMR C31H58N12O11S3 870.3511 NA PeJP NA NA +PJ060339 CNNNNHR C31H50N16O12S 870.3515 NA PeJP NA NA +PJ060340 GGGGGGGGCHR C31H50N16O12S 870.3516 NA PeJP NA NA +PJ060341 CEMFRW C39H54N10O9S2 870.3517 NA PeJP NA NA +PJ060342 MYWWW C47H50N8O7S 870.3523 NA PeJP NA NA +PJ060343 SSSSSCKW C35H54N10O14S 870.3542 NA PeJP NA NA +PJ060344 STEYWW C43H50N8O12 870.3548 NA PeJP NA NA +PJ060345 GGPEYYW C43H50N8O12 870.3549 NA PeJP NA NA +PJ060346 TCCCKKW C36H58N10O9S3 870.3551 NA PeJP NA NA +PJ060347 GCDHHFR C36H50N14O10S 870.3556 NA PeJP NA NA +PJ060348 AMMFWW C44H54N8O7S2 870.3557 NA PeJP NA NA +PJ060349 SSSSSSSDK C31H54N10O19 870.3567 NA PeJP NA NA +PJ060350 SSSSNKMM C32H58N10O14S2 870.3576 NA PeJP NA NA +PJ060351 SNNDEHR C32H50N14O15 870.358 NA PeJP NA NA +PJ060352 GGSNDEHR C32H50N14O15 870.3581 NA PeJP NA NA +PJ060353 DKEMYW C40H54N8O12S 870.3582 NA PeJP NA NA +PJ060354 ATMMMMR C33H62N10O9S4 870.3584 NA PeJP NA NA +PJ060355 GACCKKMM C33H62N10O9S4 870.3585 NA PeJP NA NA +PJ060356 GCCNRRY C33H54N14O10S2 870.3589 NA PeJP NA NA +PJ060357 NMHHFW C41H50N12O8S 870.3596 NA PeJP NA NA +PJ060358 SSKEEEY C36H54N8O17 870.3607 NA PeJP NA NA +PJ060359 TTTTMMW C37H58N8O12S2 870.3616 NA PeJP NA NA +PJ060360 DEEHRW C37H50N12O13 870.3621 NA PeJP NA NA +PJ060361 CLFYYY C45H54N6O10S 870.3622 NA PeJP NA NA +PJ060362 PCCKHHF C38H54N12O8S2 870.3629 NA PeJP NA NA +PJ060363 STTTTTEM C33H58N8O17S 870.3641 NA PeJP NA NA +PJ060364 TTKEMMM C34H62N8O12S3 870.365 NA PeJP NA NA +PJ060365 SSNNMRY C34H54N12O13S 870.3654 NA PeJP NA NA +PJ060366 GGGGVQEMH C34H54N12O13S 870.3655 NA PeJP NA NA +PJ060367 VDEHWW C42H50N10O11 870.3661 NA PeJP NA NA +PJ060368 PPCMMHR C35H58N12O8S3 870.3663 NA PeJP NA NA +PJ060369 SSSSSSSSR C30H54N12O18 870.3679 NA PeJP NA NA +PJ060370 SSSTCCKR C31H58N12O13S2 870.3688 NA PeJP NA NA +MJ096610 Amanitin; Amanullin, Deoxy C39H54N10O11S 870.369423 NA MeJP NA NA +PJ060371 SEMRYW C39H54N10O11S 870.3695 NA PeJP NA NA +PJ060372 CCCKKMR C32H62N12O8S4 870.3697 NA PeJP NA NA +PJ060373 GPYYWW C47H50N8O9 870.3701 NA PeJP NA NA +PJ060374 SSTEERY C35H54N10O16 870.3719 NA PeJP NA NA +PJ060375 TTTDDRY C35H54N10O16 870.372 NA PeJP NA NA +PJ060376 AAEMMRY C36H58N10O11S2 870.3728 NA PeJP NA NA +PJ060377 GGGGAPPPMM C36H58N10O11S2 870.3729 NA PeJP NA NA +PJ060378 GSNDHRW C36H50N14O12 870.3733 NA PeJP NA NA +PJ060379 SVMYWW C44H54N8O9S 870.3735 NA PeJP NA NA +PJ060380 GSSSSSTKM C32H58N10O16S 870.3753 NA PeJP NA NA +PJ060381 SSSLEYW C40H54N8O14 870.376 NA PeJP NA NA +PJ060382 TTTMMMR C33H62N10O11S3 870.3762 NA PeJP NA NA +PJ060383 GNQEMHR C33H54N14O12S 870.3767 NA PeJP NA NA +PJ060384 LQMMYW C41H58N8O9S2 870.3768 NA PeJP NA NA +PJ060385 GALMMYW C41H58N8O9S2 870.3769 NA PeJP NA NA +PJ060386 SQQHWW C41H50N12O10 870.3773 NA PeJP NA NA +PJ060387 STLQEMY C37H58N8O14S 870.3793 NA PeJP NA NA +PJ060388 ATKEEMY C37H58N8O14S 870.3794 NA PeJP NA NA +PJ060389 SLYYYY C45H54N6O12 870.38 NA PeJP NA NA +PJ060390 APKMMMY C38H62N8O9S3 870.3802 NA PeJP NA NA +PJ060391 AAQQMHW C38H54N12O10S 870.3807 NA PeJP NA NA +PJ060392 SSTTTLMM C34H62N8O14S2 870.3827 NA PeJP NA NA +PJ060393 GSSSSQRY C34H54N12O15 870.3832 NA PeJP NA NA +PJ060394 SLKMMMM C35H66N8O9S4 870.3836 NA PeJP NA NA +PJ060395 DMMRRY C35H58N12O10S2 870.3841 NA PeJP NA NA +PJ060396 GQQQHHH C35H50N16O11 870.3845 NA PeJP NA NA +PJ060397 GGGAAQHHH C35H50N16O11 870.3846 NA PeJP NA NA +PJ060398 PCFRYW C43H54N10O8S 870.3847 NA PeJP NA NA +PJ060399 FFWWW C51H50N8O6 870.3854 NA PeJP NA NA +PJ060400 SSSNKYW C39H54N10O13 870.3872 NA PeJP NA NA +PJ060401 GCNEHRR C32H54N16O11S 870.3879 NA PeJP NA NA +PJ060402 CLMRYW C40H58N10O8S2 870.3881 NA PeJP NA NA +MJ096611 3,14,16-Trihydroxybufa-4,20,22-trienolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] C42H62O19 870.388529 NA MeJP NA NA +MJ096612 3,8,14-Trihydroxybufa-4,20,22-trienolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] C42H62O19 870.388529 NA MeJP NA NA +MJ096613 Thevetiogenin; 19-Oxo, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] C42H62O19 870.388529 NA MeJP NA NA +PJ060403 GPTHHHW C40H50N14O9 870.3886 NA PeJP NA NA +PJ060404 ATTEMRY C36H58N10O13S 870.3906 NA PeJP NA NA +PJ060405 PDKYYW C44H54N8O11 870.3912 NA PeJP NA NA +PJ060406 GGAPEFFF C44H54N8O11 870.3913 NA PeJP NA NA +PJ060407 GVMMMFR C37H62N10O8S3 870.3915 NA PeJP NA NA +PJ060408 NQMHRW C37H54N14O9S 870.3919 NA PeJP NA NA +PJ060409 HHHFFF C45H50N12O7 870.3926 NA PeJP NA NA +PJ060410 SSSSSSTTK C32H58N10O18 870.3931 NA PeJP NA NA +PJ060411 SSSTCKKM C33H62N10O13S2 870.3939 NA PeJP NA NA +PJ060412 SSQQEHR C33H54N14O14 870.3944 NA PeJP NA NA +PJ060413 GGGGGGPQER C33H54N14O14 870.3945 NA PeJP NA NA +PJ060414 GTTLMYW C41H58N8O11S 870.3946 NA PeJP NA NA +PJ060415 CCKKKMM C34H66N10O8S4 870.3948 NA PeJP NA NA +PJ060416 TFFFFY C49H54N6O9 870.3953 NA PeJP NA NA +PJ060417 GNNHHHR C34H50N18O10 870.3958 NA PeJP NA NA +PJ060418 TTTKEEY C37H58N8O16 870.3971 NA PeJP NA NA +PJ060419 GLKEMMY C38H62N8O11S2 870.398 NA PeJP NA NA +PJ060420 ATTQQHW C38H54N12O12 870.3984 NA PeJP NA NA +PJ060421 SPPNDRW C38H54N12O12 870.3985 NA PeJP NA NA +PJ060422 SSCQKRY C35H58N12O12S 870.4018 NA PeJP NA NA +PJ060423 GGGGGGGPPKM C35H58N12O12S 870.4019 NA PeJP NA NA +PJ060424 TLEHWW C43H54N10O10 870.4025 NA PeJP NA NA +PJ060425 MMMFRR C36H62N12O7S3 870.4027 NA PeJP NA NA +PJ060426 CNHRRW C36H54N16O8S 870.4032 NA PeJP NA NA +PJ060427 SSNDHRR C32H54N16O13 870.4057 NA PeJP NA NA +PJ060428 GSCKKYW C40H58N10O10S 870.4058 NA PeJP NA NA +PJ060429 GVLEMHW C40H58N10O10S 870.4059 NA PeJP NA NA +PJ060430 GLFYWW C48H54N8O8 870.4065 NA PeJP NA NA +PJ060431 TTTTERY C36H58N10O15 870.4083 NA PeJP NA NA +PJ060432 VTKEEEH C36H58N10O15 870.4084 NA PeJP NA NA +PJ060433 GTLMMRY C37H62N10O10S2 870.4092 NA PeJP NA NA +PJ060434 GSTQHRW C37H54N14O11 870.4097 NA PeJP NA NA +PJ060435 PKMFYW C45H58N8O8S 870.4099 NA PeJP NA NA +PJ060436 STTTLYW C41H58N8O13 870.4123 NA PeJP NA NA +PJ060437 PPTLEEW C41H58N8O13 870.4124 NA PeJP NA NA +PJ060438 ATQQMHR C34H58N14O11S 870.413 NA PeJP NA NA +PJ060439 PPCNERR C34H58N14O11S 870.4131 NA PeJP NA NA +PJ060440 LKMMYW C42H62N8O8S2 870.4132 NA PeJP NA NA +PJ060441 SQKHWW C42H54N12O9 870.4137 NA PeJP NA NA +PJ060442 STLKEMY C38H62N8O13S 870.4157 NA PeJP NA NA +PJ060443 GPPVLEEM C38H62N8O13S 870.4158 NA PeJP NA NA +PJ060444 ALKMMMF C39H66N8O8S3 870.4166 NA PeJP NA NA +PJ060445 LEMHRW C39H58N12O9S 870.4171 NA PeJP NA NA +PJ060446 PVHFWW C47H54N10O7 870.4177 NA PeJP NA NA +PJ060447 GSSSSKRY C35H58N12O14 870.4196 NA PeJP NA NA +PJ060448 ACCKKRY C36H62N12O9S2 870.4204 NA PeJP NA NA +PJ060449 SPLMMHR C36H62N12O9S2 870.4205 NA PeJP NA NA +PJ060450 GVEHHHR C36H54N16O10 870.4209 NA PeJP NA NA +PJ060451 VLMHWW C44H58N10O7S 870.4211 NA PeJP NA NA +PJ060452 SSLLEHW C40H58N10O12 870.4236 NA PeJP NA NA +PJ060453 GSQMHRR C33H58N16O10S 870.4243 NA PeJP NA NA +PJ060454 QHHFFR C41H54N14O8 870.4249 NA PeJP NA NA +MJ096614 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-6-deoxy-3-O-methyl-?-D-galactopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C43H66O18 870.424915 NA MeJP NA NA +MJ096615 Spirosta-5,25(27)-diene-1,3,23,24-tetrol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] C43H66O18 870.424915 NA MeJP NA NA +PJ060455 AALHHHW C41H54N14O8 870.425 NA PeJP NA NA +PJ060456 STTLMRY C37H62N10O12S 870.427 NA PeJP NA NA +PJ060457 VLQYYW C45H58N8O10 870.4276 NA PeJP NA NA +PJ060458 GPPCRRW C38H58N14O8S 870.4283 NA PeJP NA NA +PJ060459 GPQEERR C34H58N14O13 870.4308 NA PeJP NA NA +PJ060460 PPVLEMW C42H62N8O10S 870.431 NA PeJP NA NA +PJ060461 PCCKKHR C35H62N14O8S2 870.4317 NA PeJP NA NA +PJ060462 EHHHRR C35H54N18O9 870.4322 NA PeJP NA NA +PJ060463 SSSTTLLY C38H62N8O15 870.4335 NA PeJP NA NA +PJ060464 SVLKMMY C39H66N8O10S2 870.4344 NA PeJP NA NA +PJ060465 GPVQERW C39H58N12O11 870.4348 NA PeJP NA NA +PJ060466 GGGPLERW C39H58N12O11 870.4349 NA PeJP NA NA +PJ060467 GSCHRRR C32H58N18O9S 870.4355 NA PeJP NA NA +PJ060468 VHHHRW C40H54N16O7 870.4362 NA PeJP NA NA +PJ060469 SSCKKRY C36H62N12O11S 870.4382 NA PeJP NA NA +PJ060470 GPPTKWW C44H58N10O9 870.4389 NA PeJP NA NA +MJ096616 24(23?22)-Abeo-16,23-epoxy-3,23-dihydroxycholesta-5,24-dien-18-al, 3-O-[4-Methoxybenzoyl-(?4)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C47H66O15 870.440171 NA MeJP NA NA +MJ096617 Neoleurosidine C48H62N4O11 870.441508 NA MeJP NA NA +PJ060471 SSTQHRR C33H58N16O12 870.442 NA PeJP NA NA +PJ060472 GPDDRRR C33H58N16O12 870.4421 NA PeJP NA NA +PJ060473 ATLLMHW C41H62N10O9S 870.4422 NA PeJP NA NA +PJ060474 PKFFFW C49H58N8O7 870.4429 NA PeJP NA NA +PJ060475 GSSTTKKY C37H62N10O14 870.4447 NA PeJP NA NA +PJ060476 GGGGAPTLLE C37H62N10O14 870.4448 NA PeJP NA NA +PJ060477 ACKKKMY C38H66N10O9S2 870.4456 NA PeJP NA NA +PJ060478 PQERRW C38H58N14O10 870.4461 NA PeJP NA NA +PJ060479 LKMFFW C46H62N8O7S 870.4463 NA PeJP NA NA +PJ060480 AVVKEYY C42H62N8O12 870.4487 NA PeJP NA NA +PJ060481 PVVLEEW C42H62N8O12 870.4488 NA PeJP NA NA +PJ060482 SPPQMRR C35H62N14O10S 870.4494 NA PeJP NA NA +PJ060483 GGPPTMRR C35H62N14O10S 870.4495 NA PeJP NA NA +PJ060484 PVQRWW C43H58N12O8 870.4501 NA PeJP NA NA +PJ060485 APPTLLEM C39H66N8O12S 870.4521 NA PeJP NA NA +PJ060486 GPPKMRW C40H62N12O8S 870.4535 NA PeJP NA NA +PJ060487 PVNKEER C36H62N12O13 870.456 NA PeJP NA NA +PJ060488 ALLMMHR C37H66N12O8S2 870.4568 NA PeJP NA NA +PJ060489 QQHFRR C37H58N16O9 870.4573 NA PeJP NA NA +PJ060490 TTTLLHW C41H62N10O11 870.46 NA PeJP NA NA +PJ060491 SPPCRRR C34H62N16O9S 870.4607 NA PeJP NA NA +MJ096618 2,3,23,30-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester, 30-Ac C44H70O17 870.4613 NA MeJP NA NA +MJ096619 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 11-Ac, 3-O-[?-D-cymaropyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranoside] C44H70O17 870.4613 NA MeJP NA NA +MJ096620 Spirost-5-en-3-ol, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C44H70O17 870.4613 NA MeJP NA NA +MJ096621 Spirost-5-ene-1,3-diol, 1-O-[?-D-Xylopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?2)]-?-D-fucopyranoside] C44H70O17 870.4613 NA MeJP NA NA +MJ096622 Spirost-5-ene-1,3-diol, 1-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-fucopyranoside] C44H70O17 870.4613 NA MeJP NA NA +MJ096623 Spirost-5-ene-3,17-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinofuranosyl-(1?4)-?-D-glucopyranoside] C44H70O17 870.4613 NA MeJP NA NA +MJ096624 Spirost-5-ene-3,27-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?3)]-?-D-glucopyranoside] C44H70O17 870.4613 NA MeJP NA NA +PJ060492 APRRWW C42H58N14O7 870.4613 NA PeJP NA NA +PJ060493 SSKKKMY C38H66N10O11S 870.4633 NA PeJP NA NA +PJ060494 TLLKEMH C38H66N10O11S 870.4634 NA PeJP NA NA +PJ060495 VLKYYW C46H62N8O9 870.464 NA PeJP NA NA +PJ060496 GPKEERR C35H62N14O12 870.4672 NA PeJP NA NA +PJ060497 GLLKMFY C43H66N8O9S 870.4674 NA PeJP NA NA +PJ060498 GPTLLLEE C39H66N8O14 870.4699 NA PeJP NA NA +PJ060499 GPPLLLMM C40H70N8O9S2 870.4708 NA PeJP NA NA +PJ060500 GPVKERW C40H62N12O10 870.4712 NA PeJP NA NA +PJ060501 TTLLMHR C37H66N12O10S 870.4746 NA PeJP NA NA +PJ060502 AAPLKWW C45H62N10O8 870.4752 NA PeJP NA NA +PJ060503 GPVVKWW C45H62N10O8 870.4753 NA PeJP NA NA +MJ096625 Avermectin B1a; 5-Ketone C48H70O14 870.476556 NA MeJP NA NA +PJ060504 GPTERRR C34H62N16O11 870.4784 NA PeJP NA NA +PJ060505 GGGGSPKRR C34H62N16O11 870.4785 NA PeJP NA NA +PJ060506 PPCLKKW C42H66N10O8S 870.4786 NA PeJP NA NA +PJ060507 SSTTLLLH C38H66N10O13 870.4811 NA PeJP NA NA +PJ060508 VLLKMMH C39H70N10O8S2 870.482 NA PeJP NA NA +PJ060509 PKERRW C39H62N14O9 870.4825 NA PeJP NA NA +PJ060510 PTLLLEW C43H66N8O11 870.4851 NA PeJP NA NA +PJ060511 GPPVLLEF C43H66N8O11 870.4852 NA PeJP NA NA +PJ060512 SPPKMRR C36H66N14O9S 870.4858 NA PeJP NA NA +PJ060513 PVKRWW C44H62N12O7 870.4865 NA PeJP NA NA +PJ060514 GPVLLLEM C40H70N8O11S 870.4885 NA PeJP NA NA +PJ060515 QQQRRR C33H62N18O10 870.4897 NA PeJP NA NA +PJ060516 PTLQKER C37H66N12O12 870.4923 NA PeJP NA NA +PJ060517 PVDKKER C37H66N12O12 870.4924 NA PeJP NA NA +PJ060518 PTRRRW C38H62N16O8 870.4937 NA PeJP NA NA +PJ060519 APLKKEW C42H66N10O10 870.4964 NA PeJP NA NA +PJ060520 GPVMRRR C35H66N16O8S 870.4971 NA PeJP NA NA +MJ096626 Cycloartane-3,6,16,24,25-pentol, 3-O-(2,3-Di-O-acetyl-?-D-xylopyranoside), 6-O-?-D-glucopyranoside C45H74O16 870.497686 NA MeJP NA NA +MJ096627 Spirostan-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H74O16 870.497686 NA MeJP NA NA +PJ060521 PLLLEMR C39H70N10O10S 870.4998 NA PeJP NA NA +PJ060522 PPVLLFW C47H66N8O8 870.5004 NA PeJP NA NA +PJ060523 NNRRRR C32H62N20O9 870.5009 NA PeJP NA NA +PJ060524 SPVKERR C36H66N14O11 870.5036 NA PeJP NA NA +PJ060525 PVLLLMW C44H70N8O8S 870.5038 NA PeJP NA NA +PJ060526 AALLLLEE C40H70N8O13 870.5063 NA PeJP NA NA +MJ096628 Xuxuarine B?; 22'-Deoxy C56H70O8 870.507069 NA MeJP NA NA +MJ096629 Xuxuarine B?; 22-Deoxy C56H70O8 870.507069 NA MeJP NA NA +PJ060527 APTLKRW C41H66N12O9 870.5076 NA PeJP NA NA +PJ060528 PMRRRR C34H66N18O7S 870.5083 NA PeJP NA NA +PJ060529 PVLQKMR C38H70N12O9S 870.511 NA PeJP NA NA +PJ060530 AALERRR C35H66N16O10 870.5148 NA PeJP NA NA +PJ060531 VLLLEER C39H70N10O12 870.5175 NA PeJP NA NA +PJ060532 LLQRRW C40H66N14O8 870.5188 NA PeJP NA NA +PJ060533 GALLRRW C40H66N14O8 870.5189 NA PeJP NA NA +PJ060534 VVLLLEW C44H70N8O10 870.5215 NA PeJP NA NA +PJ060535 APLKMRR C37H70N14O8S 870.5222 NA PeJP NA NA +PJ060536 APTLLLLM C41H74N8O10S 870.5249 NA PeJP NA NA +PJ060537 VERRRR C34H66N18O9 870.5261 NA PeJP NA NA +PJ060538 PTLKKER C38H70N12O11 870.5287 NA PeJP NA NA +PJ060539 GGVLLKER C38H70N12O11 870.5288 NA PeJP NA NA +PJ060540 VVRRRW C39H66N16O7 870.5301 NA PeJP NA NA +PJ060541 SPLLKKW C43H70N10O9 870.5328 NA PeJP NA NA +PJ060542 AAPLLKKM C40H74N10O9S 870.5361 NA PeJP NA NA +PJ060543 GLLKERR C37H70N14O10 870.54 NA PeJP NA NA +PJ060544 GTLLLLLE C41H74N8O12 870.5427 NA PeJP NA NA +PJ060545 GVLLKRW C42H70N12O8 870.544 NA PeJP NA NA +PJ060546 PVLKKMR C39H74N12O8S 870.5474 NA PeJP NA NA +MJ096630 Withaferin A; 27-O-(6-O-Hexadecanoyl-?-D-glucopyranoside) C50H78O12 870.549327 NA MeJP NA NA +PJ060547 GTLLRRR C36H70N16O9 870.5512 NA PeJP NA NA +PJ060548 LLLQKKE C40H74N10O11 870.5539 NA PeJP NA NA +PJ060549 LLKRRW C41H70N14O7 870.5552 NA PeJP NA NA +PJ060550 TLLLLLW C45H74N8O9 870.5579 NA PeJP NA NA +PJ060551 GVLLLLLM C42H78N8O9S 870.5613 NA PeJP NA NA +PJ060552 QKKRRR C35H70N18O8 870.5624 NA PeJP NA NA +PJ060553 GAKKRRR C35H70N18O8 870.5625 NA PeJP NA NA +PJ060554 VVLKKER C39H74N12O10 870.5651 NA PeJP NA NA +C05797 Pheophytin a C55H74N4O5 870.5659 NA KEGG NA NA +PJ060555 VVVLKKW C44H74N10O8 870.5691 NA PeJP NA NA +PJ060556 ALLLKKW C44H74N10O8 870.5692 NA PeJP NA NA +MJ096631 Antibiotic CP 47433 C47H82O14 870.570457 NA MeJP NA NA +MJ096632 Antibiotic X 206 C47H82O14 870.570457 NA MeJP NA NA +PJ060557 LLLLLMR C41H78N10O8S 870.5725 NA PeJP NA NA +PJ060558 SVLLKRR C38H74N14O9 870.5764 NA PeJP NA NA +PJ060559 SSLLLLLL C42H78N8O11 870.579 NA PeJP NA NA +PJ060560 GVKKKRR C37H74N16O8 870.5876 NA PeJP NA NA +PJ060561 LLLKKKE C41H78N10O10 870.5903 NA PeJP NA NA +PJ060562 KKKRRR C36H74N18O7 870.5988 NA PeJP NA NA +PJ060563 TLLLKKR C40H78N12O9 870.6015 NA PeJP NA NA +PJ060564 ALKKKKR C39H78N14O8 870.6127 NA PeJP NA NA +PJ060565 VLKKKKK C41H82N12O8 870.6379 NA PeJP NA NA +MJ096633 2-Amino-17-methyl-1,3,4-octadecanetriol, N-Tricosanoyl, 1-O-(2-acetamido-2-deoxy-?-D-glucopyranoside) C50H98N2O9 870.727232 NA MeJP NA NA +MJ096634 Dohexacontane C62H126 870.985954 NA MeJP NA NA +C00512 S-Benzoate coenzyme A C28H40N7O17P3S 871.1414 NA KEGG NA NA +HMDB02252 Benzoyl-CoA C28H40N7O17P3S 871.141418 NA HMDB2010 NA NA +HMDB02252 Benzoyl-CoA C28H40N7O17P3S 871.14142 http://www.hmdb.ca/metabolites/HMDB02252 HMDB NA NA +HMDB02252 Benzoyl-CoA C28H40N7O17P3S 871.14142 HMDB02252 PFEM_hmdb_metabocards_official NA NA +MJ096635 S-benzoate Coenzyme A C28H40N7O17P3S 871.141423 NA MeJP NA NA +MetaCyc04219 benzoyl-S-CoA [S-benzoate coenzyme A;benzoyl-CoA;] C28H40N7O17P3S1 871.141423 NA metacyc NA NA +MetaCyc04220 benzoyl-CoA [] C28H40N7O17P3S1 871.141423 102185-37-5 metacyc NA NA +PJ060566 SCCCCCNH C28H45N11O11S5 871.1904 NA PeJP NA NA +PJ060567 PCCCCNDD C29H45N9O14S4 871.1969 NA PeJP NA NA +PJ060568 CCCCDYY C34H45N7O12S4 871.2009 NA PeJP NA NA +PJ060569 GCCNDDDM C29H45N9O16S3 871.2147 NA PeJP NA NA +PJ060570 GSPPCCCCC C30H49N9O11S5 871.2156 NA PeJP NA NA +PJ060571 CCCCMFY C35H49N7O9S5 871.2196 NA PeJP NA NA +PJ060572 SCCCNNND C28H45N11O15S3 871.2259 NA PeJP NA NA +PJ060573 CCCNDEW C33H45N9O13S3 871.2299 NA PeJP NA NA +PJ060574 SSCCNDDE C29H45N9O18S2 871.2324 NA PeJP NA NA +PJ060575 SPCCCNDM C30H49N9O13S4 871.2333 NA PeJP NA NA +PJ060576 DDDDDDY C33H41N7O21 871.2356 NA PeJP NA NA +PJ060577 SCCCMYY C35H49N7O11S4 871.2373 NA PeJP NA NA +PJ060578 DDDDMMM C31H49N7O16S3 871.2398 NA PeJP NA NA +PJ060579 GCCCNNQM C29H49N11O12S4 871.2445 NA PeJP NA NA +PJ060580 GGGGGCCCQM C29H49N11O12S4 871.2446 NA PeJP NA NA +PJ060581 GCCCDWW C37H45N9O10S3 871.2452 NA PeJP NA NA +PJ060582 GSSCCDDW C33H45N9O15S2 871.2477 NA PeJP NA NA +PJ060583 GPTCCCCW C34H49N9O10S4 871.2486 NA PeJP NA NA +PJ060584 GSSSSCDDD C29H45N9O20S 871.2502 NA PeJP NA NA +PJ060585 GSCNDDMM C30H49N9O15S3 871.2511 NA PeJP NA NA +PJ060586 GPCCCQMM C31H53N9O10S5 871.2519 NA PeJP NA NA +PJ060587 CCCCFFF C39H49N7O8S4 871.2526 NA PeJP NA NA +PJ060588 DDDDDMF C34H45N7O18S 871.2542 NA PeJP NA NA +PJ060589 GCCCCNNR C28H49N13O11S4 871.2558 NA PeJP NA NA +PJ060590 CDDDMHH C32H45N11O14S2 871.2589 NA PeJP NA NA +PJ060591 GSCCCDER C29H49N11O14S3 871.2623 NA PeJP NA NA +PJ060592 GPCCCCMR C30H53N11O9S5 871.2632 NA PeJP NA NA +PJ060593 CNNDDEY C33H45N9O17S 871.2654 NA PeJP NA NA +PJ060594 GGCNDDEY C33H45N9O17S 871.2655 NA PeJP NA NA +PJ060595 SCCNEMW C34H49N9O12S3 871.2663 NA PeJP NA NA +PJ060596 SSSCNDEM C30H49N9O17S2 871.2688 NA PeJP NA NA +PJ060597 CNNEMMM C31H53N9O12S4 871.2697 NA PeJP NA NA +PJ060598 GSCCNDHH C31H45N13O13S2 871.2702 NA PeJP NA NA +PJ060599 ACCCFYY C39H49N7O10S3 871.2703 NA PeJP NA NA +PJ060600 SDDDEEY C34H45N7O20 871.272 NA PeJP NA NA +PJ060601 PCDDEMY C35H49N7O15S2 871.2728 NA PeJP NA NA +PJ060602 SDEEMMM C32H53N7O15S3 871.2762 NA PeJP NA NA +PJ060603 GPCNDDDH C32H45N11O16S 871.2767 NA PeJP NA NA +PJ060604 PCEMMMM C33H57N7O10S5 871.2771 NA PeJP NA NA +PJ060605 SCCCDRW C33H49N11O11S3 871.2775 NA PeJP NA NA +PJ060606 GSSSSCCNQ C29H49N11O16S2 871.28 NA PeJP NA NA +PJ060607 SSSCCDDR C29H49N11O16S2 871.2801 NA PeJP NA NA +PJ060608 GCNDDYW C37H45N9O14S 871.2807 NA PeJP NA NA +PJ060609 CCNDMMR C30H53N11O11S4 871.2809 NA PeJP NA NA +PJ060610 GSCCMWW C38H49N9O9S3 871.2816 NA PeJP NA NA +PJ060611 GSSNDDDY C33H45N9O19 871.2832 NA PeJP NA NA +PJ060612 GSSSCDMW C34H49N9O14S2 871.2841 NA PeJP NA NA +PJ060613 GCNMMMW C35H53N9O9S4 871.2849 NA PeJP NA NA +PJ060614 GGGCMMMW C35H53N9O9S4 871.285 NA PeJP NA NA +PJ060615 GSSSSSDDM C30H49N9O19S 871.2866 NA PeJP NA NA +PJ060616 GSSNDMMM C31H53N9O14S3 871.2874 NA PeJP NA NA +PJ060617 GGGSSDMMM C31H53N9O14S3 871.2875 NA PeJP NA NA +PJ060618 GTCCYYY C39H49N7O12S2 871.2881 NA PeJP NA NA +PJ060619 GPCCCKMM C32H57N9O9S5 871.2883 NA PeJP NA NA +PJ060620 CCNQMHH C32H49N13O10S3 871.2888 NA PeJP NA NA +PJ060621 GDEEEMY C35H49N7O17S 871.2906 NA PeJP NA NA +PJ060622 PCDEMMF C36H53N7O12S3 871.2915 NA PeJP NA NA +PJ060623 CCCCERR C29H53N13O10S4 871.2922 NA PeJP NA NA +PJ060624 NNDDEEH C32H45N11O18 871.2944 NA PeJP NA NA +PJ060625 GGNDDEEH C32H45N11O18 871.2945 NA PeJP NA NA +PJ060626 AEEMMMM C33H57N7O12S4 871.2948 NA PeJP NA NA +PJ060627 CNNNNMY C33H49N11O13S2 871.2953 NA PeJP NA NA +PJ060628 ACCCMRW C34H53N11O8S4 871.2962 NA PeJP NA NA +PJ060629 SSSSSSCNN C29H49N11O18S 871.2978 NA PeJP NA NA +PJ060630 GSSCCEMR C30H53N11O13S3 871.2987 NA PeJP NA NA +PJ060631 SSTCCWW C38H49N9O11S2 871.2993 NA PeJP NA NA +PJ060632 CCCNHHR C31H49N15O9S3 871.3 NA PeJP NA NA +PJ060633 SSSSSCEW C34H49N9O16S 871.3018 NA PeJP NA NA +PJ060634 GGPPPCDDD C34H49N9O16S 871.3019 NA PeJP NA NA +PJ060635 SSCQMMW C35H53N9O11S3 871.3027 NA PeJP NA NA +PJ060636 SSSSSSSDE C30H49N9O21 871.3043 NA PeJP NA NA +PJ060637 SSSSNEMM C31H53N9O16S2 871.3052 NA PeJP NA NA +PJ060638 GSNNNDDH C31H45N13O17 871.3057 NA PeJP NA NA +PJ060639 SSSCYYY C39H49N7O14S 871.3058 NA PeJP NA NA +PJ060640 DEEMYW C39H49N7O14S 871.3059 NA PeJP NA NA +PJ060641 SNQMMMM C32H57N9O11S4 871.3061 NA PeJP NA NA +PJ060642 GSSCNMHH C32H49N13O12S2 871.3065 NA PeJP NA NA +PJ060643 GGGSSCMHH C32H49N13O12S2 871.3066 NA PeJP NA NA +PJ060644 SSEEEEY C35H49N7O19 871.3083 NA PeJP NA NA +PJ060645 SPDEMMY C36H53N7O14S2 871.3092 NA PeJP NA NA +PJ060646 GNDDEHW C36H45N11O15 871.3097 NA PeJP NA NA +PJ060647 PPCMMMY C37H57N7O9S4 871.3101 NA PeJP NA NA +PJ060648 PCCEHHF C37H49N11O10S2 871.3106 NA PeJP NA NA +PJ060649 TTEEMMM C33H57N7O14S3 871.3126 NA PeJP NA NA +PJ060650 SCNDDRY C33H49N11O15S 871.3131 NA PeJP NA NA +PJ060651 PTMMMMM C34H61N7O9S5 871.3135 NA PeJP NA NA +PJ060652 SSCCMRW C34H53N11O10S3 871.3139 NA PeJP NA NA +PJ060653 GGAPPCCMH C34H53N11O10S3 871.314 NA PeJP NA NA +PJ060654 SCDHHHH C34H45N15O11S 871.3144 NA PeJP NA NA +PJ060655 CCQFWW C42H49N9O8S2 871.3146 NA PeJP NA NA +PJ060656 SSSSCDMR C30H53N11O15S2 871.3164 NA PeJP NA NA +PJ060657 GSNDMYW C38H49N9O13S 871.3171 NA PeJP NA NA +PJ060658 SCNMMMR C31H57N11O10S4 871.3173 NA PeJP NA NA +PJ060659 GCMMHFF C39H53N9O8S3 871.318 NA PeJP NA NA +PJ060660 GSSSNEEY C34H49N9O18 871.3196 NA PeJP NA NA +PJ060661 GSSSSMMW C35H53N9O13S2 871.3205 NA PeJP NA NA +PJ060662 PDDDHHH C35H45N13O14 871.3209 NA PeJP NA NA +PJ060663 CNFYYY C43H49N7O11S 871.3211 NA PeJP NA NA +PJ060664 ACCKMMW C36H57N9O8S4 871.3213 NA PeJP NA NA +PJ060665 GSSSSSTEM C31H53N9O18S 871.3229 NA PeJP NA NA +PJ060666 ASSSSSSEM C31H53N9O18S 871.323 NA PeJP NA NA +PJ060667 GPDEEYY C39H49N7O16 871.3236 NA PeJP NA NA +PJ060668 GSSTQMMM C32H57N9O13S3 871.3238 NA PeJP NA NA +PJ060669 SSSSCQHH C32H49N13O14S 871.3243 NA PeJP NA NA +PJ060670 EEMMFW C40H53N7O11S2 871.3245 NA PeJP NA NA +PJ060671 NDDHWW C40H45N11O12 871.325 NA PeJP NA NA +PJ060672 GPPCCCHR C33H53N13O9S3 871.3252 NA PeJP NA NA +PJ060673 ATEEEMY C36H53N7O16S 871.327 NA PeJP NA NA +PJ060674 APEMMMY C37H57N7O11S3 871.3278 NA PeJP NA NA +PJ060675 PTDMMMF C37H57N7O11S3 871.3279 NA PeJP NA NA +PJ060676 SPCNEHW C37H49N11O12S 871.3283 NA PeJP NA NA +PJ060677 GGGGGGGGCFF C37H49N11O12S 871.3284 NA PeJP NA NA +PJ060678 TCCCMRR C30H57N13O9S4 871.3285 NA PeJP NA NA +PJ060679 MMMHHW C38H53N11O7S3 871.3292 NA PeJP NA NA +PJ060680 SSSSNNNY C33H49N11O17 871.3308 NA PeJP NA NA +PJ060681 GGGGGGSPPDD C33H49N11O17 871.3309 NA PeJP NA NA +PJ060682 SLEMMMM C34H61N7O11S4 871.3312 NA PeJP NA NA +PJ060683 GCNEMRY C34H53N11O12S2 871.3317 NA PeJP NA NA +PJ060684 SCQYWW C42H49N9O10S 871.3323 NA PeJP NA NA +PJ060685 ACMHHHH C35H49N15O8S2 871.333 NA PeJP NA NA +PJ060686 SSSNEYW C38H49N9O15 871.3348 NA PeJP NA NA +PJ060687 GGPPDDEW C38H49N9O15 871.3349 NA PeJP NA NA +PJ060688 GSSTCMMR C31H57N11O12S3 871.3351 NA PeJP NA NA +PJ060689 CNNNDHR C31H49N15O13S 871.3355 NA PeJP NA NA +PJ060690 GGGGCNDHR C31H49N15O13S 871.3356 NA PeJP NA NA +PJ060691 NQMMYW C39H53N9O10S2 871.3357 NA PeJP NA NA +PJ060692 SSSSSTMW C35H53N9O15S 871.3382 NA PeJP NA NA +PJ060693 SNYYYY C43H49N7O13 871.3388 NA PeJP NA NA +PJ060694 PDEYYW C43H49N7O13 871.3389 NA PeJP NA NA +PJ060695 SSCKMMW C36H57N9O10S3 871.3391 NA PeJP NA NA +PJ060696 GNNNMHW C36H49N13O11S 871.3396 NA PeJP NA NA +PJ060697 SSSSSSTTE C31H53N9O20 871.3407 NA PeJP NA NA +PJ060698 SSSSDKMM C32H57N9O15S2 871.3416 NA PeJP NA NA +PJ060699 SNDDEHR C32H49N13O16 871.3421 NA PeJP NA NA +PJ060700 SPPDMYY C40H53N7O13S 871.3422 NA PeJP NA NA +PJ060701 SNKMMMM C33H61N9O10S4 871.3424 NA PeJP NA NA +PJ060702 GGSKMMMM C33H61N9O10S4 871.3425 NA PeJP NA NA +PJ060703 GCCDRRY C33H53N13O11S2 871.3429 NA PeJP NA NA +PJ060704 GGGGGPCCKH C33H53N13O11S2 871.343 NA PeJP NA NA +PJ060705 PPCMMFF C41H57N7O8S3 871.3431 NA PeJP NA NA +PJ060706 GSPCHWW C41H49N11O9S 871.3436 NA PeJP NA NA +PJ060707 TTTEEEY C36H53N7O18 871.3447 NA PeJP NA NA +PJ060708 GLEEMMY C37H57N7O13S2 871.3456 NA PeJP NA NA +PJ060709 GSQEEHW C37H49N11O14 871.3461 NA PeJP NA NA +PJ060710 PCLMMMF C38H61N7O8S4 871.3465 NA PeJP NA NA +PJ060711 CNMRYW C38H53N11O9S2 871.3469 NA PeJP NA NA +PJ060712 GGCMRYW C38H53N11O9S2 871.347 NA PeJP NA NA +PJ060713 SSNDMRY C34H53N11O14S 871.3494 NA PeJP NA NA +PJ060714 GGSSDMRY C34H53N11O14S 871.3495 NA PeJP NA NA +PJ060715 VVMMMMM C35H65N7O8S5 871.3499 NA PeJP NA NA +PJ060716 GSSSYWW C42H49N9O12 871.3501 NA PeJP NA NA +PJ060717 PCCCKRY C35H57N11O9S3 871.3503 NA PeJP NA NA +PJ060718 SSMHHHH C35H49N15O10S 871.3508 NA PeJP NA NA +PJ060719 CCKFWW C43H53N9O7S2 871.351 NA PeJP NA NA +PJ060720 SSSSSMMR C31H57N11O14S2 871.3528 NA PeJP NA NA +PJ060721 GSTQMYW C39H53N9O12S 871.3535 NA PeJP NA NA +PJ060722 TCCKMMR C32H61N11O9S4 871.3537 NA PeJP NA NA +PJ060723 GSSSDKEY C35H53N9O17 871.356 NA PeJP NA NA +PJ060724 GNKEMMY C36H57N9O12S2 871.3568 NA PeJP NA NA +PJ060725 GGGKEMMY C36H57N9O12S2 871.3569 NA PeJP NA NA +PJ060726 GSDDHRW C36H49N13O13 871.3573 NA PeJP NA NA +PJ060727 GGGGGGGGGGPW C36H49N13O13 871.3574 NA PeJP NA NA +PJ060728 PEMFYW C44H53N7O10S 871.3575 NA PeJP NA NA +PJ060729 APCCHRW C37H53N13O8S2 871.3582 NA PeJP NA NA +PJ060730 SSSSSSSLM C32H57N9O17S 871.3593 NA PeJP NA NA +PJ060731 APTEEYY C40H53N7O15 871.36 NA PeJP NA NA +PJ060732 GSSTKMMM C33H61N9O12S3 871.3602 NA PeJP NA NA +PJ060733 GNEEMHR C33H53N13O13S 871.3607 NA PeJP NA NA +PJ060734 LEMMYW C41H57N7O10S2 871.3609 NA PeJP NA NA +PJ060735 SQEHWW C41H49N11O11 871.3613 NA PeJP NA NA +PJ060736 GGGPDHFW C41H49N11O11 871.3614 NA PeJP NA NA +PJ060737 GCCMFRR C34H57N13O8S3 871.3616 NA PeJP NA NA +PJ060738 STLEEMY C37H57N7O15S 871.3634 NA PeJP NA NA +PJ060739 SPLMMMY C38H61N7O10S3 871.3642 NA PeJP NA NA +PJ060740 GSTCRYW C38H53N11O11S 871.3647 NA PeJP NA NA +PJ060741 GNFYWW C46H49N9O9 871.3654 NA PeJP NA NA +PJ060742 GSSSSERY C34H53N11O16 871.3672 NA PeJP NA NA +PJ060743 GSQMMRY C35H57N11O11S2 871.3681 NA PeJP NA NA +PJ060744 GQQEHHH C35H49N15O12 871.3686 NA PeJP NA NA +PJ060745 SCKYWW C43H53N9O9S 871.3687 NA PeJP NA NA +PJ060746 SSSDKYW C39H53N9O14 871.3712 NA PeJP NA NA +PJ060747 GGGPPPDEF C39H53N9O14 871.3713 NA PeJP NA NA +PJ060748 GCDEHRR C32H53N15O12S 871.3719 NA PeJP NA NA +PJ060749 NKMMYW C40H57N9O9S2 871.3721 NA PeJP NA NA +PJ060750 GNNHHFF C40H49N13O10 871.3726 NA PeJP NA NA +PJ060751 SSQKEMY C36H57N9O14S 871.3746 NA PeJP NA NA +PJ060752 VEEFYW C44H53N7O12 871.3753 NA PeJP NA NA +PJ060753 PCCKKMY C37H61N9O9S3 871.3755 NA PeJP NA NA +PJ060754 NEMHRW C37H53N13O10S 871.3759 NA PeJP NA NA +PJ060755 GGEMHRW C37H53N13O10S 871.376 NA PeJP NA NA +PJ060756 GTHWWW C45H49N11O8 871.3766 NA PeJP NA NA +PJ060757 SSSSTTTTT C32H57N9O19 871.3771 NA PeJP NA NA +PJ060758 SSSTTKMM C33H61N9O14S2 871.378 NA PeJP NA NA +PJ060759 SSQEEHR C33H53N13O15 871.3784 NA PeJP NA NA +PJ060760 GGSTEEHR C33H53N13O15 871.3785 NA PeJP NA NA +PJ060761 GPLEMYY C41H57N7O12S 871.3786 NA PeJP NA NA +PJ060762 TCKKMMM C34H65N9O9S4 871.3788 NA PeJP NA NA +PJ060763 GSCMRRY C34H57N13O10S2 871.3793 NA PeJP NA NA +PJ060764 GNDHHHR C34H49N17O11 871.3798 NA PeJP NA NA +PJ060765 VNMHWW C42H53N11O8S 871.38 NA PeJP NA NA +PJ060766 SVLEMMY C38H61N7O12S2 871.382 NA PeJP NA NA +PJ060767 SSSSRYW C38H53N11O13 871.3825 NA PeJP NA NA +PJ060768 APCKMHW C39H57N11O8S2 871.3833 NA PeJP NA NA +PJ060769 QQHHHW C39H49N15O9 871.3838 NA PeJP NA NA +PJ060770 SSTQMRY C35H57N11O13S 871.3858 NA PeJP NA NA +PJ060771 GGPPEEMR C35H57N11O13S 871.3859 NA PeJP NA NA +PJ060772 GPPTEWW C43H53N9O11 871.3865 NA PeJP NA NA +PJ060773 GCKMMFR C36H61N11O8S3 871.3867 NA PeJP NA NA +PJ060774 CDHRRW C36H53N15O9S 871.3872 NA PeJP NA NA +PJ060775 SSDDHRR C32H53N15O14 871.3897 NA PeJP NA NA +PJ060776 GSTKMYW C40H57N9O11S 871.3899 NA PeJP NA NA +PJ060777 PPFYYW C48H53N7O9 871.3905 NA PeJP NA NA +PJ060778 PTCCHRR C33H57N15O9S2 871.3906 NA PeJP NA NA +PJ060779 GMHRWW C41H53N13O7S 871.3912 NA PeJP NA NA +PJ060780 ASSSTKEY C36H57N9O16 871.3923 NA PeJP NA NA +PJ060781 GSSTTKEY C36H57N9O16 871.3924 NA PeJP NA NA +PJ060782 GDKKMMY C37H61N9O11S2 871.3932 NA PeJP NA NA +PJ060783 GSTEHRW C37H53N13O12 871.3937 NA PeJP NA NA +PJ060784 PLMYYW C45H57N7O9S 871.3939 NA PeJP NA NA +PJ060785 APHHHHH C38H49N17O8 871.395 NA PeJP NA NA +PJ060786 GVLEEYY C41H57N7O14 871.3964 NA PeJP NA NA +PJ060787 SSTCRRY C34H57N13O12S 871.3971 NA PeJP NA NA +PJ060788 APLMMFY C42H61N7O9S2 871.3973 NA PeJP NA NA +PJ060789 SKEHWW C42H53N11O10 871.3977 NA PeJP NA NA +PJ060790 ALLMMMY C39H65N7O9S3 871.4006 NA PeJP NA NA +PJ060791 GPPEMRW C39H57N11O10S 871.4011 NA PeJP NA NA +PJ060792 PPTWWW C47H53N9O8 871.4017 NA PeJP NA NA +PJ060793 GAHFFFF C47H53N9O8 871.4018 NA PeJP NA NA +PJ060794 GSSTTTRY C35H57N11O15 871.4036 NA PeJP NA NA +PJ060795 GSKMMRY C36H61N11O10S2 871.4045 NA PeJP NA NA +PJ060796 GNNQHFR C36H53N15O11 871.4049 NA PeJP NA NA +PJ060797 GGGGGQHFR C36H53N15O11 871.405 NA PeJP NA NA +PJ060798 GPPVMWW C44H57N9O8S 871.4051 NA PeJP NA NA +PJ060799 SSTTKYW C40H57N9O13 871.4076 NA PeJP NA NA +PJ060800 GSEMHRR C33H57N15O11S 871.4083 NA PeJP NA NA +PJ060801 PCCKKFF C41H61N9O8S2 871.4085 NA PeJP NA NA +PJ060802 STHRWW C41H53N13O9 871.409 NA PeJP NA NA +PJ060803 SSKKEMY C37H61N9O13S 871.411 NA PeJP NA NA +PJ060804 VLEYYW C45H57N7O11 871.4116 NA PeJP NA NA +PJ060805 GKKMMMF C38H65N9O8S3 871.4119 NA PeJP NA NA +PJ060806 DKMHRW C38H57N13O9S 871.4123 NA PeJP NA NA +PJ060807 VHHFFW C46H53N11O7 871.413 NA PeJP NA NA +PJ060808 GPEEERR C34H57N13O14 871.4148 NA PeJP NA NA +PJ060809 GGGGPDKER C34H57N13O14 871.4149 NA PeJP NA NA +PJ060810 SPVLMYY C42H61N7O11S 871.415 NA PeJP NA NA +PJ060811 GLQMMHR C35H61N13O9S2 871.4157 NA PeJP NA NA +PJ060812 GTQHHHR C35H53N17O10 871.4162 NA PeJP NA NA +PJ060813 PPMRWW C43H57N11O7S 871.4164 NA PeJP NA NA +PJ060814 TTLLMMY C39H65N7O11S2 871.4184 NA PeJP NA NA +PJ060815 SPPTERW C39H57N11O12 871.4188 NA PeJP NA NA +PJ060816 GPVEERW C39H57N11O12 871.4189 NA PeJP NA NA +PJ060817 QKHHHW C40H53N15O8 871.4202 NA PeJP NA NA +PJ060818 SSTKMRY C36H61N11O12S 871.4222 NA PeJP NA NA +PJ060819 GGGGGGGPLLM C36H61N11O12S 871.4223 NA PeJP NA NA +PJ060820 AAPLEWW C44H57N9O10 871.4229 NA PeJP NA NA +PJ060821 SMHRRW C37H57N15O8S 871.4236 NA PeJP NA NA +MJ096636 Grahamine C48H61N3O12 871.425524 NA MeJP NA NA +PJ060822 SSTEHRR C33H57N15O13 871.4261 NA PeJP NA NA +PJ060823 PPTLQMW C41H61N9O10S 871.4262 NA PeJP NA NA +PJ060824 PPVDKMW C41H61N9O10S 871.4263 NA PeJP NA NA +PJ060825 PLFFYW C49H57N7O8 871.4269 NA PeJP NA NA +PJ060826 SSSSTLKY C37H61N9O15 871.4287 NA PeJP NA NA +PJ060827 PLQKEEE C37H61N9O15 871.4288 NA PeJP NA NA +PJ060828 ATKKMMY C38H65N9O10S2 871.4296 NA PeJP NA NA +PJ060829 PEERRW C38H57N13O11 871.4301 NA PeJP NA NA +PJ060830 LLMFYW C46H61N7O8S 871.4303 NA PeJP NA NA +PJ060831 ATLLEYY C42H61N7O13 871.4328 NA PeJP NA NA +PJ060832 STLQMHR C35H61N13O11S 871.4334 NA PeJP NA NA +PJ060833 SPPEMRR C35H61N13O11S 871.4335 NA PeJP NA NA +PJ060834 ALLMMFF C43H65N7O8S2 871.4336 NA PeJP NA NA +PJ060835 PVERWW C43H57N11O9 871.4341 NA PeJP NA NA +PJ060836 GNNQQRR C32H57N17O12 871.4373 NA PeJP NA NA +PJ060837 SPPVMRW C40H61N11O9S 871.4375 NA PeJP NA NA +PJ060838 PVVWWW C48H57N9O7 871.4381 NA PeJP NA NA +PJ060839 PVDKEER C36H61N11O14 871.44 NA PeJP NA NA +PJ060840 PPLQMMR C37H65N11O9S2 871.4409 NA PeJP NA NA +PJ060841 GSPNRRW C37H57N15O10 871.4413 NA PeJP NA NA +PJ060842 APLKEEW C41H61N9O12 871.444 NA PeJP NA NA +PJ060843 ATTMHRR C34H61N15O10S 871.4447 NA PeJP NA NA +PJ060844 VQHFRW C42H57N13O8 871.4453 NA PeJP NA NA +PJ060845 GGLHFRW C42H57N13O8 871.4454 NA PeJP NA NA +PJ060846 TTTKKMY C38H65N9O12S 871.4474 NA PeJP NA NA +PJ060847 GPLLFYY C46H61N7O10 871.448 NA PeJP NA NA +PJ060848 CKFRRY C39H61N13O8S 871.4487 NA PeJP NA NA +PJ060849 SPVEERR C35H61N13O13 871.4512 NA PeJP NA NA +PJ060850 GGGGGGGGGVLK C35H61N13O13 871.4513 NA PeJP NA NA +PJ060851 GLLLMYY C43H65N7O10S 871.4514 NA PeJP NA NA +PJ060852 PPCLMRR C36H65N13O8S2 871.4521 NA PeJP NA NA +PJ060853 GTKHHHR C36H57N17O9 871.4526 NA PeJP NA NA +PJ060854 APTLERW C40H61N11O11 871.4552 NA PeJP NA NA +PJ060855 GGAPKKEW C40H61N11O11 871.4553 NA PeJP NA NA +PJ060856 GPCQRRR C33H61N17O9S 871.4559 NA PeJP NA NA +PJ060857 AHFRRW C41H57N15O7 871.4566 NA PeJP NA NA +PJ060858 PVLQEMR C37H65N11O11S 871.4586 NA PeJP NA NA +PJ060859 GPTLLWW C45H61N9O9 871.4593 NA PeJP NA NA +2887 NA EVQKQLQ 871.462 antibacterial Inhouse_peptide NA peptide +PJ060860 TTTTHRR C34H61N15O12 871.4624 NA PeJP NA NA +PJ060861 GVQQERR C34H61N15O12 871.4625 NA PeJP NA NA +PJ060862 PPTLKMW C42H65N9O9S 871.4626 NA PeJP NA NA +PJ060863 LLFFFW C50H61N7O7 871.4633 NA PeJP NA NA +PJ060864 PLKKEEE C38H65N9O14 871.4651 NA PeJP NA NA +PJ060865 GGAALLLEE C38H65N9O14 871.4652 NA PeJP NA NA +PJ060866 GPPVLKMM C39H69N9O9S2 871.466 NA PeJP NA NA +PJ060867 GPTQKRW C39H61N13O10 871.4665 NA PeJP NA NA +PJ060868 STLLLYY C43H65N7O12 871.4691 NA PeJP NA NA +PJ060869 APLEMRR C36H65N13O10S 871.4698 NA PeJP NA NA +PJ060870 PVVDMRR C36H65N13O10S 871.4699 NA PeJP NA NA +PJ060871 PQKKWW C44H61N11O8 871.4705 NA PeJP NA NA +PJ060872 QQERRR C33H61N17O11 871.4737 NA PeJP NA NA +PJ060873 GPLLMRW C41H65N11O8S 871.4739 NA PeJP NA NA +PJ060874 PTLKEER C37H65N11O13 871.4764 NA PeJP NA NA +PJ060875 PPLKMMR C38H69N11O8S2 871.4772 NA PeJP NA NA +PJ060876 VQQRRW C38H61N15O9 871.4777 NA PeJP NA NA +PJ060877 SPLLKEW C42H65N9O11 871.4804 NA PeJP NA NA +PJ060878 GPQKMRR C35H65N15O9S 871.4811 NA PeJP NA NA +PJ060879 VKHFRW C43H61N13O7 871.4817 NA PeJP NA NA +PJ060880 AAPLLKEM C39H69N9O11S 871.4838 NA PeJP NA NA +PJ060881 GLLLFFY C47H65N7O9 871.4844 NA PeJP NA NA +PJ060882 NDRRRR C32H61N19O10 871.4849 NA PeJP NA NA +PJ060883 GLLEERR C36H65N13O12 871.4876 NA PeJP NA NA +PJ060884 AQRRRW C37H61N17O8 871.4889 NA PeJP NA NA +PJ060885 GAARRRW C37H61N17O8 871.489 NA PeJP NA NA +PJ060886 GVLLERW C41H65N11O10 871.4916 NA PeJP NA NA +PJ060887 GPCKRRR C34H65N17O8S 871.4923 NA PeJP NA NA +MJ096637 Spirosolan-3-ol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C44H73NO16 871.492935 NA MeJP NA NA +MJ096638 Spirosolan-3-ol, Glycoside(1) C44H73NO16 871.492935 NA MeJP NA NA +PJ060888 PVLKEMR C38H69N11O10S 871.495 NA PeJP NA NA +PJ060889 AALLLWW C46H65N9O8 871.4957 NA PeJP NA NA +PJ060890 GVQKERR C35H65N15O11 871.4988 NA PeJP NA NA +PJ060891 GGGLKERR C35H65N15O11 871.4989 NA PeJP NA NA +PJ060892 PVVLKMW C43H69N9O8S 871.499 NA PeJP NA NA +PJ060893 LLLQKEE C39H69N9O13 871.5015 NA PeJP NA NA +PJ060894 LLERRW C40H65N13O9 871.5029 NA PeJP NA NA +PJ060895 SPLLMRR C37H69N13O9S 871.5062 NA PeJP NA NA +PJ060896 VLLRWW C45H65N11O7 871.5069 NA PeJP NA NA +PJ060897 QKERRR C34H65N17O10 871.5101 NA PeJP NA NA +PJ060898 TLLLQER C38H69N11O12 871.5127 NA PeJP NA NA +PJ060899 VVLKEER C38H69N11O12 871.5128 NA PeJP NA NA +PJ060900 VQKRRW C39H65N15O8 871.5141 NA PeJP NA NA +PJ060901 ALLLKEW C43H69N9O10 871.5168 NA PeJP NA NA +PJ060902 GPKKMRR C36H69N15O8S 871.5175 NA PeJP NA NA +PJ060903 GPTLLLKM C40H73N9O10S 871.5202 NA PeJP NA NA +PJ060904 TQRRRR C33H65N19O9 871.5213 NA PeJP NA NA +PJ060905 SVLLERR C37H69N13O11 871.524 NA PeJP NA NA +PJ060906 AKRRRW C38H65N17O7 871.5253 NA PeJP NA NA +PJ060907 ATLLLRW C42H69N11O9 871.528 NA PeJP NA NA +PJ060908 VLLLQMR C39H73N11O9S 871.5314 NA PeJP NA NA +PJ060909 GVKKERR C36H69N15O10 871.5352 NA PeJP NA NA +PJ060910 LLLKKEE C40H73N9O12 871.5379 NA PeJP NA NA +PJ060911 AALKKRW C41H69N13O8 871.5393 NA PeJP NA NA +PJ060912 ALLLMRR C38H73N13O8S 871.5426 NA PeJP NA NA +PJ060913 KKERRR C35H69N17O9 871.5465 NA PeJP NA NA +PJ060914 TLLLKER C39H73N11O11 871.5491 NA PeJP NA NA +PJ060915 GGLLKKKE C39H73N11O11 871.5492 NA PeJP NA NA +PJ060916 VKKRRW C40H69N15O7 871.5505 NA PeJP NA NA +PJ060917 SLLLLKW C44H73N9O9 871.5532 NA PeJP NA NA +PJ060918 AALLLLKM C41H77N9O9S 871.5565 NA PeJP NA NA +PJ060919 TKRRRR C34H69N19O8 871.5577 NA PeJP NA NA +PJ060920 TTLLLRR C38H73N13O10 871.5604 NA PeJP NA NA +PJ060921 GLLKKKW C43H73N11O8 871.5644 NA PeJP NA NA +PJ060922 VLLLKMR C40H77N11O8S 871.5678 NA PeJP NA NA +PJ060923 ATLKKRR C37H73N15O9 871.5716 NA PeJP NA NA +PJ060924 ATTLLLLK C41H77N9O11 871.5743 NA PeJP NA NA +PJ060925 VLKKKKE C40H77N11O10 871.5855 NA PeJP NA NA +PJ060926 SLLKKKR C39H77N13O9 871.5968 NA PeJP NA NA +PJ060927 GKKKKKR C38H77N15O8 871.608 NA PeJP NA NA +EUR993 PC 38:3 [M-H+acetate]- C46H86NO8P 871.630207 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR993 PC 38:3 [M-H+acetate]- C46H86NO8P 871.630207 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR993 PC 38:3 [M-H+acetate]- C46H86NO8P 871.630207 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR993 PC 38:3 [M-H+acetate]- C46H86NO8P 871.630207 masses lipides attendues Inhousejuil11 NA NA +EUR1128 SM(d18:1/24:2) [M-H+acetate]- C47H92N2O6P 871.690401 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1128 SM(d18:1/24:2) [M-H+acetate]- C47H92N2O6P 871.690401 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1128 SM(d18:1/24:2) [M-H+acetate]- C47H92N2O6P 871.690401 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1128 SM(d18:1/24:2) [M-H+acetate]- C47H92N2O6P 871.690401 masses lipides attendues Inhousejuil11 NA NA +HMDB08059 PC(18:0/24:1(15Z)) C50H98NO8P 871.703003 NA HMDB2010 NA NA +HMDB08091 PC(18:1(11Z)/24:0) C50H98NO8P 871.703003 NA HMDB2010 NA NA +HMDB08124 PC(18:1(9Z)/24:0) C50H98NO8P 871.703003 NA HMDB2010 NA NA +HMDB08283 PC(20:0/22:1(13Z)) C50H98NO8P 871.703003 NA HMDB2010 NA NA +HMDB08315 PC(20:1(11Z)/22:0) C50H98NO8P 871.703003 NA HMDB2010 NA NA +HMDB08538 PC(22:0/20:1(11Z)) C50H98NO8P 871.703003 NA HMDB2010 NA NA +HMDB08569 PC(22:1(13Z)/20:0) C50H98NO8P 871.703003 NA HMDB2010 NA NA +HMDB08761 PC(24:0/18:1(11Z)) C50H98NO8P 871.703003 NA HMDB2010 NA NA +HMDB08762 PC(24:0/18:1(9Z)) C50H98NO8P 871.703003 NA HMDB2010 NA NA +HMDB08793 PC(24:1(15Z)/18:0) C50H98NO8P 871.703003 NA HMDB2010 NA NA +MJ096639 Azovan blue C34H28N6O14S4 872.054632 NA MeJP NA NA +MJ096640 5,7-Dihydroxyflavanone, 7-O-[4,6-[(S)-4,4',5,5',6,6'-Hexahydroxydiphenoyl]-3-O-(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] C42H32O21 872.143608 NA MeJP NA NA +PJ060928 SCCCCCDH C28H44N10O12S5 872.1744 NA PeJP NA NA +PJ060929 PCCCCDDD C29H44N8O15S4 872.1809 NA PeJP NA NA +PJ060930 ACCCCCMH C29H48N10O9S6 872.193 NA PeJP NA NA +MJ096641 Arachnitannin 1; 3'''-Hydroxy C47H36O17 872.195249 NA MeJP NA NA +PJ060931 GCCDDDDM C29H44N8O17S3 872.1987 NA PeJP NA NA +FL5FAAGS0120 Kaempferol 3-(2''-feruloylglucosyl)-(1->2)-(6''-malonylglucoside) C40H40O22 872.20112 219745-02-5 knapsack NA NA +MJ096642 Astragalin; 2''-O-[4-Hydroxy-3-methoxycinnamoyl-(?2)-?-D-glucopyranosyl], 6''-O-malonyl C40H40O22 872.201122 NA MeJP NA NA +MJ096643 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) C40H41O22(+) 872.201122 NA MeJP NA NA +MJ096644 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) C40H41O22(+) 872.201122 NA MeJP NA NA +PJ060932 SCCCNNDD C28H44N10O16S3 872.2099 NA PeJP NA NA +PJ060933 SSCCCCMH C29H48N10O11S5 872.2108 NA PeJP NA NA +PJ060934 CCCDDEW C33H44N8O14S3 872.214 NA PeJP NA NA +PJ060935 SSCCDDDE C29H44N8O19S2 872.2164 NA PeJP NA NA +PJ060936 SPCCCDDM C30H48N8O14S4 872.2173 NA PeJP NA NA +FL5FAAGL0109 Kaempferol 3-(6'''-rhamnosyl-2'''-(6-malyl-glucosyl)-glucoside) C37H44O24 872.22225 592522-42-4 knapsack NA NA +FL5FAAGS0129 Kaempferol 3-neohesperidoside-7-(6''-malonylglucoside) C37H44O24 872.22225 - knapsack NA NA +PJ060937 GCCCNNEM C29H48N10O13S4 872.2286 NA PeJP NA NA +PJ060938 GSCDDDMM C30H48N8O16S3 872.2351 NA PeJP NA NA +PJ060939 PCCCCCLE C31H52N8O11S5 872.2359 NA PeJP NA NA +PJ060940 GPCCCEMM C31H52N8O11S5 872.236 NA PeJP NA NA +MJ096645 Trichotomine; N,N'-Diglucosyl C42H40N4O17 872.238845 NA MeJP NA NA +PJ060941 GCCCCNDR C28H48N12O12S4 872.2398 NA PeJP NA NA +PJ060942 CCCNNMW C33H48N10O10S4 872.2438 NA PeJP NA NA +PJ060943 SSCCNNDM C29H48N10O15S3 872.2463 NA PeJP NA NA +PJ060944 PCCCCCNK C30H52N10O10S5 872.2472 NA PeJP NA NA +PJ060945 CNDDDEY C33H44N8O18S 872.2495 NA PeJP NA NA +PJ060946 SCCDEMW C34H48N8O13S3 872.2503 NA PeJP NA NA +PJ060947 PCCCMMW C35H52N8O8S5 872.2512 NA PeJP NA NA +MJ096646 3,4',5,7-Tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan, 3'-(4-Hydroxy-3,5-dimethoxybenzoyl), 3-O-?-L-rhamnopyranoside C45H44O18 872.252764 NA MeJP NA NA +PJ060948 SSSCDDEM C30H48N8O18S2 872.2528 NA PeJP NA NA +PJ060949 CNDEMMM C31H52N8O13S4 872.2537 NA PeJP NA NA +PJ060950 GSCCDDHH C31H44N12O14S2 872.2542 NA PeJP NA NA +PJ060951 APCCCCHH C32H48N12O9S4 872.2551 NA PeJP NA NA +FL5FAAGS0097 Kaempferol 3-rhamnosyl-(1->2)-[xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside]; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(O-beta-D-xylopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->2)]-beta-D-galactopyranosyl)oxy]-4H-1-benzopyran-4-one C38H48O23 872.25863 463961-82-2 knapsack NA NA +FL5FCAGS0012 Kaempferol 7-methyl ether 3-apiosyl-(1->5)-apiosyl-(1->2)-[rhamnosyl-(1->6)-glucoside];3-[(O-D-Apio-beta-D-furanosyl-(1->5)-O-D-apio-beta-D-furanosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C38H48O23 872.25863 433979-38-5 knapsack NA NA +PJ060952 GPCDDDDH C32H44N10O17S 872.2607 NA PeJP NA NA +PJ060953 GSSCCCQW C33H48N10O12S3 872.2616 NA PeJP NA NA +PJ060954 GSSSSCCNE C29H48N10O17S2 872.2641 NA PeJP NA NA +PJ060955 GCDDDYW C37H44N8O15S 872.2647 NA PeJP NA NA +PJ060956 CCDDMMR C30H52N10O12S4 872.2649 NA PeJP NA NA +PJ060957 GGGGGTCCMM C30H52N10O12S4 872.265 NA PeJP NA NA +PJ060958 PCCCDFW C38H48N8O10S3 872.2656 NA PeJP NA NA +PJ060959 GSSDDDDY C33H44N8O20 872.2672 NA PeJP NA NA +PJ060960 GSPCCDEY C34H48N8O15S2 872.2681 NA PeJP NA NA +PJ060961 GCDMMMW C35H52N8O10S4 872.269 NA PeJP NA NA +PJ060962 GSSDDMMM C31H52N8O15S3 872.2715 NA PeJP NA NA +PJ060963 GPTCCMMM C32H56N8O10S5 872.2723 NA PeJP NA NA +PJ060964 CCNEMHH C32H48N12O11S3 872.2728 NA PeJP NA NA +MJ096647 Sucrose; 4,6-Di-O-benzoyl, 3'-O-[?-L-rhamnopyranosyl-(?4)-4-hydroxy-3-methoxycinnamoyl] C42H48O20 872.273893 NA MeJP NA NA +PJ060965 GSCCCNMR C29H52N12O11S4 872.2762 NA PeJP NA NA +PJ060966 CCCNHFF C37H48N10O9S3 872.2768 NA PeJP NA NA +PJ060967 NDDDEEH C32H44N10O19 872.2785 NA PeJP NA NA +PJ060968 SSSSCCNW C33H48N10O14S2 872.2793 NA PeJP NA NA +PJ060969 CCCCQKW C34H52N10O9S4 872.2802 NA PeJP NA NA +PJ060970 SSSSSSCND C29H48N10O19S 872.2818 NA PeJP NA NA +PJ060971 SSSCNNMM C30H52N10O14S3 872.2827 NA PeJP NA NA +PJ060972 SPCCDYW C38H48N8O12S2 872.2833 NA PeJP NA NA +PJ060973 GCDDMFW C38H48N8O12S2 872.2834 NA PeJP NA NA +PJ060974 CCCDHHR C31H48N14O10S3 872.284 NA PeJP NA NA +PJ060975 SNDDEMY C34H48N8O17S 872.2858 NA PeJP NA NA +PJ060976 GGSDDEMY C34H48N8O17S 872.2859 NA PeJP NA NA +PJ060977 SSCEMMW C35H52N8O12S3 872.2867 NA PeJP NA NA +PJ060978 GCCMHHW C36H48N12O8S3 872.2881 NA PeJP NA NA +PJ060979 SSSSDEMM C31H52N8O17S2 872.2892 NA PeJP NA NA +PJ060980 GSNNDDDH C31H44N12O18 872.2897 NA PeJP NA NA +PJ060981 SNEMMMM C32H56N8O12S4 872.2901 NA PeJP NA NA +PJ060982 GSSCDMHH C32H48N12O13S2 872.2906 NA PeJP NA NA +PJ060983 CMMYYY C40H52N6O10S3 872.2907 NA PeJP NA NA +PJ060984 GDDDEHW C36H44N10O16 872.2937 NA PeJP NA NA +PJ060985 SSSCCCQR C29H52N12O13S3 872.2939 NA PeJP NA NA +PJ060986 GCCNQYW C37H48N10O11S2 872.2946 NA PeJP NA NA +MJ096648 Longifloroside C39H52O22 872.295023 NA MeJP NA NA +PJ060987 SCDDDRY C33H48N10O16S 872.2971 NA PeJP NA NA +PJ060988 CNNNMMF C34H52N10O11S3 872.2979 NA PeJP NA NA +PJ060989 GSSCCCKW C34H52N10O11S3 872.298 NA PeJP NA NA +PJ060990 CCEFWW C42H48N8O9S2 872.2986 NA PeJP NA NA +PJ060991 GSSSSSCQM C30H52N10O16S2 872.3004 NA PeJP NA NA +PJ060992 GGGSSSSTCM C30H52N10O16S2 872.3005 NA PeJP NA NA +PJ060993 GSDDMYW C38H48N8O14S 872.3011 NA PeJP NA NA +PJ060994 SCDMMMR C31H56N10O11S4 872.3013 NA PeJP NA NA +PJ060995 APCCMYW C39H52N8O9S3 872.302 NA PeJP NA NA +PJ060996 GSSSDEEY C34H48N8O19 872.3036 NA PeJP NA NA +PJ060997 GNEEMMY C35H52N8O14S2 872.3045 NA PeJP NA NA +PJ060998 CDFYYY C43H48N6O12S 872.3051 NA PeJP NA NA +PJ060999 GSMMMMW C36H56N8O9S4 872.3053 NA PeJP NA NA +PJ061000 GGPCMMMF C36H56N8O9S4 872.3054 NA PeJP NA NA +PJ061001 STCCHHW C36H48N12O10S2 872.3058 NA PeJP NA NA +PJ061002 GSSTEMMM C32H56N8O14S3 872.3078 NA PeJP NA NA +PJ061003 SSSSCEHH C32H48N12O15S 872.3083 NA PeJP NA NA +PJ061004 AQMMMMM C33H60N8O9S5 872.3087 NA PeJP NA NA +PJ061005 DDDHWW C40H44N10O13 872.309 NA PeJP NA NA +PJ061006 CCCNQFR C33H52N12O10S3 872.3092 NA PeJP NA NA +PJ061007 GSSSSSCCR C29H52N12O15S2 872.3117 NA PeJP NA NA +PJ061008 SSCNNYW C37H48N10O13S 872.3123 NA PeJP NA NA +PJ061009 GGGGCNDFF C37H48N10O13S 872.3124 NA PeJP NA NA +PJ061010 GTCCCCKR C30H56N12O10S4 872.3126 NA PeJP NA NA +PJ061011 PPCCMHW C38H52N10O8S3 872.3132 NA PeJP NA NA +PJ061012 SSSSNNDY C33H48N10O18 872.3148 NA PeJP NA NA +PJ061013 GGSEEEEH C33H48N10O18 872.3149 NA PeJP NA NA +PJ061014 GCDEMRY C34H52N10O13S2 872.3157 NA PeJP NA NA +PJ061015 SCEYWW C42H48N8O11S 872.3164 NA PeJP NA NA +PJ061016 CCCCKKW C35H56N10O8S4 872.3166 NA PeJP NA NA +PJ061017 SSSSSSSNM C30H52N10O18S 872.3182 NA PeJP NA NA +PJ061018 SSSDEYW C38H48N8O16 872.3188 NA PeJP NA NA +PJ061019 PPDDDEW C38H48N8O16 872.3189 NA PeJP NA NA +PJ061020 SSSCCQKM C31H56N10O13S3 872.3191 NA PeJP NA NA +PJ061021 GSCNNNQH C31H48N14O14S 872.3195 NA PeJP NA NA +PJ061022 CNNDDHR C31H48N14O14S 872.3196 NA PeJP NA NA +PJ061023 NEMMYW C39H52N8O11S2 872.3197 NA PeJP NA NA +PJ061024 VCCMMMR C32H60N10O8S5 872.3199 NA PeJP NA NA +PJ061025 ACMMMMR C32H60N10O8S5 872.32 NA PeJP NA NA +PJ061026 SCCMHHR C32H52N14O9S3 872.3204 NA PeJP NA NA +PJ061027 SSQEEMY C35H52N8O16S 872.3222 NA PeJP NA NA +PJ061028 SDYYYY C43H48N6O14 872.3229 NA PeJP NA NA +PJ061029 SSTMMMW C36H56N8O11S3 872.3231 NA PeJP NA NA +PJ061030 GNNDMHW C36H48N12O12S 872.3236 NA PeJP NA NA +PJ061031 CMFFYY C44H52N6O9S2 872.3237 NA PeJP NA NA +PJ061032 SSSTTEMM C32H56N8O16S2 872.3256 NA PeJP NA NA +PJ061033 SDDDEHR C32H48N12O17 872.3261 NA PeJP NA NA +PJ061034 SDKMMMM C33H60N8O11S4 872.3265 NA PeJP NA NA +PJ061035 SCCNQRY C33H52N12O12S2 872.3269 NA PeJP NA NA +PJ061036 GGGGTCCRY C33H52N12O12S2 872.327 NA PeJP NA NA +PJ061037 GSEEEHW C37H48N10O15 872.3301 NA PeJP NA NA +PJ061038 SSSCCCKR C30H56N12O12S3 872.3303 NA PeJP NA NA +PJ061039 CDMRYW C38H52N10O10S2 872.331 NA PeJP NA NA +PJ061040 SSDDMRY C34H52N10O15S 872.3335 NA PeJP NA NA +PJ061041 NDEFYW C42H48N8O13 872.3341 NA PeJP NA NA +PJ061042 PTCCMRY C35H56N10O10S3 872.3343 NA PeJP NA NA +PJ061043 GGGACCKMF C35H56N10O10S3 872.3344 NA PeJP NA NA +PJ061044 PCNEHHH C35H48N14O11S 872.3348 NA PeJP NA NA +PJ061045 GMMYWW C43H52N8O8S2 872.335 NA PeJP NA NA +PJ061046 GSSSSSSSST C30H52N10O20 872.336 NA PeJP NA NA +PJ061047 GSSSSSCKM C31H56N10O15S2 872.3368 NA PeJP NA NA +PJ061048 SSSNNNNH C31H48N14O16 872.3373 NA PeJP NA NA +PJ061049 GSTEMYW C39H52N8O13S 872.3375 NA PeJP NA NA +PJ061050 SSMMMMR C32H60N10O10S4 872.3377 NA PeJP NA NA +PJ061051 GSPCCNHR C32H52N14O11S2 872.3382 NA PeJP NA NA +PJ061052 QMMMFW C40H56N8O8S3 872.3384 NA PeJP NA NA +PJ061053 CNQHWW C40H48N12O9S 872.3388 NA PeJP NA NA +PJ061054 GSSTTEEY C35H52N8O18 872.34 NA PeJP NA NA +PJ061055 GDKEMMY C36H56N8O13S2 872.3409 NA PeJP NA NA +PJ061056 SSNNEHW C36H48N12O14 872.3413 NA PeJP NA NA +PJ061057 GGGGGGPNDW C36H48N12O14 872.3414 NA PeJP NA NA +PJ061058 AMYYYY C44H52N6O11S 872.3415 NA PeJP NA NA +PJ061059 GNMMHHF C37H52N12O9S2 872.3422 NA PeJP NA NA +PJ061060 SSSSLMMM C33H60N8O13S3 872.3442 NA PeJP NA NA +PJ061061 GSSSCNRY C33H52N12O14S 872.3447 NA PeJP NA NA +PJ061062 AKMMMMM C34H64N8O8S5 872.3451 NA PeJP NA NA +PJ061063 NNNYYW C41H48N10O12 872.3453 NA PeJP NA NA +PJ061064 SEEHWW C41H48N10O12 872.3454 NA PeJP NA NA +PJ061065 CCCNKFR C34H56N12O9S3 872.3456 NA PeJP NA NA +MJ096649 Bussein A C44H56O18 872.346664 NA MeJP NA NA +PJ061066 AAEEMHW C38H52N10O12S 872.3487 NA PeJP NA NA +PJ061067 GDFYWW C46H48N8O10 872.3494 NA PeJP NA NA +PJ061068 CMMFRW C39H56N10O7S3 872.3496 NA PeJP NA NA +PJ061069 GPCHHHW C39H48N14O8S 872.3501 NA PeJP NA NA +PJ061070 SSSSSQQY C34H52N10O17 872.3512 NA PeJP NA NA +PJ061071 GGGGAAPEEE C34H52N10O17 872.3513 NA PeJP NA NA +PJ061072 GSEMMRY C35H56N10O12S2 872.3521 NA PeJP NA NA +PJ061073 NNNNNHF C35H48N14O13 872.3526 NA PeJP NA NA +PJ061074 STMYWW C43H52N8O10S 872.3527 NA PeJP NA NA +PJ061075 GGEMFFW C43H52N8O10S 872.3528 NA PeJP NA NA +PJ061076 ACCHHFR C36H52N14O8S2 872.3534 NA PeJP NA NA +PJ061077 SSSSSSTCK C31H56N10O17S 872.3546 NA PeJP NA NA +PJ061078 SSTTEYW C39H52N8O15 872.3552 NA PeJP NA NA +PJ061079 PPTDEEW C39H52N8O15 872.3553 NA PeJP NA NA +PJ061080 SSSCCKKM C32H60N10O12S3 872.3555 NA PeJP NA NA +PJ061081 SNNDMHR C32H52N14O13S 872.3559 NA PeJP NA NA +PJ061082 GGGGSDMHR C32H52N14O13S 872.356 NA PeJP NA NA +PJ061083 DKMMYW C40H56N8O10S2 872.3561 NA PeJP NA NA +PJ061084 GSSNHWW C40H48N12O11 872.3566 NA PeJP NA NA +PJ061085 CFFFFY C48H52N6O8S 872.3568 NA PeJP NA NA +PJ061086 SSKEEMY C36H56N8O15S 872.3586 NA PeJP NA NA +PJ061087 TTYYYY C44H52N6O13 872.3592 NA PeJP NA NA +PJ061088 GLQMMMY C37H60N8O10S3 872.3595 NA PeJP NA NA +PJ061089 DEMHRW C37H52N12O11S 872.36 NA PeJP NA NA +PJ061090 STTTTTMM C33H60N8O15S2 872.362 NA PeJP NA NA +PJ061091 ASSSQQEH C33H52N12O16 872.3624 NA PeJP NA NA +PJ061092 SSEEEHR C33H52N12O16 872.3625 NA PeJP NA NA +PJ061093 TTKMMMM C34H64N8O10S4 872.3629 NA PeJP NA NA +PJ061094 SCCNKRY C34H56N12O11S2 872.3633 NA PeJP NA NA +PJ061095 GGGGGGLMMH C34H56N12O11S2 872.3634 NA PeJP NA NA +PJ061096 GDDHHHR C34H48N16O12 872.3638 NA PeJP NA NA +PJ061097 VDMHWW C42H52N10O9S 872.364 NA PeJP NA NA +PJ061098 ATTEEHW C38H52N10O14 872.3665 NA PeJP NA NA +PJ061099 SMMRYW C39H56N10O9S2 872.3673 NA PeJP NA NA +PJ061100 PVTCMHW C39H56N10O9S2 872.3674 NA PeJP NA NA +MJ096650 Fusacandin B C41H60O20 872.367794 NA MeJP NA NA +PJ061101 QEHHHW C39H48N14O10 872.3678 NA PeJP NA NA +PJ061102 GMFFWW C47H52N8O7S 872.368 NA PeJP NA NA +PJ061103 SSTEMRY C35H56N10O14S 872.3698 NA PeJP NA NA +PJ061104 GGGSSSKMY C35H56N10O14S 872.3699 NA PeJP NA NA +PJ061105 VNEYYW C43H52N8O12 872.3705 NA PeJP NA NA +PJ061106 AAMMMRY C36H60N10O9S3 872.3707 NA PeJP NA NA +PJ061107 GSCQHRW C36H52N14O10S 872.3712 NA PeJP NA NA +3738 NA YPFGFWG 872.372 ACE inhibitor Inhouse_peptide NA peptide +PJ061108 GSSSNEHR C32H52N14O15 872.3737 NA PeJP NA NA +PJ061109 SSSLMYW C40H56N8O12S 872.3739 NA PeJP NA NA +PJ061110 AFFYYY C48H52N6O10 872.3745 NA PeJP NA NA +PJ061111 GNQMMHR C33H56N14O10S2 872.3746 NA PeJP NA NA +PJ061112 KMMMFW C41H60N8O7S3 872.3747 NA PeJP NA NA +PJ061113 CNKHWW C41H52N12O8S 872.3752 NA PeJP NA NA +PJ061114 SSSSTLEY C36H56N8O17 872.3764 NA PeJP NA NA +PJ061115 ATKEMMY C37H60N8O12S2 872.3772 NA PeJP NA NA +PJ061116 SPPPVDMM C37H60N8O12S2 872.3773 NA PeJP NA NA +PJ061117 GPNDERW C37H52N12O13 872.3777 NA PeJP NA NA +PJ061118 GGGGGGGGGPPF C37H52N12O13 872.3778 NA PeJP NA NA +PJ061119 ACKMHHF C38H56N12O8S2 872.3786 NA PeJP NA NA +PJ061120 ATEEMHR C34H56N12O13S 872.3811 NA PeJP NA NA +PJ061121 PQQEWW C42H52N10O11 872.3817 NA PeJP NA NA +PJ061122 GGAAPEWW C42H52N10O11 872.3818 NA PeJP NA NA +PJ061123 APMMMHR C35H60N12O8S3 872.382 NA PeJP NA NA +PJ061124 SPCHHHR C35H52N16O9S 872.3824 NA PeJP NA NA +PJ061125 AHHHWW C43H48N14O7 872.3831 NA PeJP NA NA +PJ061126 NNNNNQR C31H52N16O14 872.3849 NA PeJP NA NA +PJ061127 GGGGGGGGNQR C31H52N16O14 872.385 NA PeJP NA NA +PJ061128 GTLEMHW C39H56N10O11S 872.3851 NA PeJP NA NA +PJ061129 GVYYWW C47H52N8O9 872.3858 NA PeJP NA NA +PJ061130 SSSSSQKY C35H56N10O16 872.3876 NA PeJP NA NA +PJ061131 ATTMMRY C36H60N10O11S2 872.3885 NA PeJP NA NA +PJ061132 SSSNHRW C36H52N14O12 872.3889 NA PeJP NA NA +PJ061133 GGSSSHRW C36H52N14O12 872.389 NA PeJP NA NA +PJ061134 VQMFYW C44H56N8O9S 872.3891 NA PeJP NA NA +PJ061135 TTTTTYW C40H56N8O14 872.3916 NA PeJP NA NA +PJ061136 SSQQMHR C33H56N14O12S 872.3923 NA PeJP NA NA +PJ061137 GGGGGGGAPMR C33H56N14O12S 872.3924 NA PeJP NA NA +PJ061138 GPKMMFY C41H60N8O9S2 872.3925 NA PeJP NA NA +PJ061139 PNDRWW C41H52N12O10 872.393 NA PeJP NA NA +PJ061140 TTTKEMY C37H60N8O14S 872.395 NA PeJP NA NA +PJ061141 GLKMMMY C38H64N8O9S3 872.3959 NA PeJP NA NA +PJ061142 SPPCQRW C38H56N12O10S 872.3963 NA PeJP NA NA +PJ061143 GGPPTCRW C38H56N12O10S 872.3964 NA PeJP NA NA +PJ061144 APQWWW C46H52N10O8 872.397 NA PeJP NA NA +PJ061145 TTTEEHR C34H56N12O15 872.3988 NA PeJP NA NA +PJ061146 GGPTQEER C34H56N12O15 872.3989 NA PeJP NA NA +PJ061147 GLEMMHR C35H60N12O10S2 872.3997 NA PeJP NA NA +PJ061148 GTEHHHR C35H52N16O11 872.4002 NA PeJP NA NA +PJ061149 TLMHWW C43H56N10O8S 872.4004 NA PeJP NA NA +PJ061150 STTLEHW C39H56N10O13 872.4029 NA PeJP NA NA +PJ061151 SSCQHRR C32H56N16O11S 872.4036 NA PeJP NA NA +PJ061152 GVLMMHW C40H60N10O8S2 872.4037 NA PeJP NA NA +MJ096651 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl(1?6)-?-D-glucopyranosyl(1?4)-?-L-thevetoside] C42H64O19 872.404179 NA MeJP NA NA +MJ096652 3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-3-O-methyl-?-L-rhamnopyranoside] C42H64O19 872.404179 NA MeJP NA NA +MJ096653 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C42H64O19 872.404179 NA MeJP NA NA +MJ096654 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-D-ribo-hexopyranoside] C42H64O19 872.404179 NA MeJP NA NA +C08881 k-Strophanthoside C42H64O19 872.4042 NA KEGG NA NA +C08882 Thevetin A C42H64O19 872.4042 NA KEGG NA NA +PJ061153 NNHFRW C40H52N14O9 872.4042 NA PeJP NA NA +PJ061154 TTTTMRY C36H60N10O13S 872.4062 NA PeJP NA NA +PJ061155 AAAAPVNEM C36H60N10O13S 872.4063 NA PeJP NA NA +PJ061156 VDKYYW C44H56N8O11 872.4069 NA PeJP NA NA +PJ061157 PVKMMMH C37H64N10O8S3 872.4071 NA PeJP NA NA +PJ061158 GSCKHRW C37H56N14O9S 872.4076 NA PeJP NA NA +PJ061159 SPNDERR C33H56N14O14 872.4101 NA PeJP NA NA +PJ061160 APTKMYY C41H60N8O11S 872.4102 NA PeJP NA NA +PJ061161 PPTLEMW C41H60N8O11S 872.4103 NA PeJP NA NA +PJ061162 ACQKMHR C34H60N14O9S2 872.4109 NA PeJP NA NA +PJ061163 PPCNMRR C34H60N14O9S2 872.411 NA PeJP NA NA +PJ061164 PMHFRW C42H56N12O7S 872.4116 NA PeJP NA NA +PJ061165 SSTTTTLY C37H60N8O16 872.4127 NA PeJP NA NA +PJ061166 PLKEEEE C37H60N8O16 872.4128 NA PeJP NA NA +PJ061167 STLKMMY C38H64N8O11S2 872.4136 NA PeJP NA NA +PJ061168 GPTQERW C38H56N12O12 872.4141 NA PeJP NA NA +PJ061169 LMMHRW C39H60N12O7S2 872.415 NA PeJP NA NA +PJ061170 THHHRW C39H52N16O8 872.4154 NA PeJP NA NA +PJ061171 STLEMHR C35H60N12O12S 872.4175 NA PeJP NA NA +PJ061172 PQKEWW C43H56N10O10 872.4181 NA PeJP NA NA +PJ061173 GVMHHHR C36H56N16O8S 872.4188 NA PeJP NA NA +PJ061174 GSSSSHRR C32H56N16O13 872.4213 NA PeJP NA NA +PJ061175 GGGGGGGGGGKR C32H56N16O13 872.4214 NA PeJP NA NA +PJ061176 SSLLMHW C40H60N10O10S 872.4215 NA PeJP NA NA +PJ061177 VQFFFW C48H56N8O8 872.4221 NA PeJP NA NA +PJ061178 GGLFFFW C48H56N8O8 872.4222 NA PeJP NA NA +PJ061179 SSSSSKKY C36H60N10O15 872.424 NA PeJP NA NA +PJ061180 TCCKKKY C37H64N10O10S2 872.4249 NA PeJP NA NA +PJ061181 GSPDRRW C37H56N14O11 872.4253 NA PeJP NA NA +PJ061182 GGGGGVQRW C37H56N14O11 872.4254 NA PeJP NA NA +PJ061183 VKMFYW C45H60N8O8S 872.4255 NA PeJP NA NA +PJ061184 SPLLEEW C41H60N8O13 872.428 NA PeJP NA NA +PJ061185 GPQEMRR C34H60N14O11S 872.4287 NA PeJP NA NA +PJ061186 PPVLMMW C42H64N8O8S2 872.4289 NA PeJP NA NA +PJ061187 PTQRWW C42H56N12O9 872.4294 NA PeJP NA NA +PJ061188 MHHHRR C35H56N18O7S 872.4301 NA PeJP NA NA +PJ061189 AAPLLEEM C38H64N8O13S 872.4314 NA PeJP NA NA +PJ061190 GPVQMRW C39H60N12O9S 872.4327 NA PeJP NA NA +PJ061191 APKWWW C47H56N10O7 872.4334 NA PeJP NA NA +PJ061192 SPQKEER C35H60N12O14 872.4352 NA PeJP NA NA +PJ061193 GGGVVVDDR C35H60N12O14 872.4353 NA PeJP NA NA +3428 NA EILDVPST 872.4359 ACE inhibitor Inhouse_peptide NA peptide +PJ061194 SVLMMHR C36H64N12O9S2 872.4361 NA PeJP NA NA +PJ061195 NNQRRW C36H56N16O10 872.4366 NA PeJP NA NA +PJ061196 SPVQKEW C40H60N10O12 872.4392 NA PeJP NA NA +PJ061197 GPKKEEW C40H60N10O12 872.4393 NA PeJP NA NA +PJ061198 SSCKHRR C33H60N16O10S 872.4399 NA PeJP NA NA +PJ061199 GPCERRR C33H60N16O10S 872.44 NA PeJP NA NA +MJ096655 Spirost-5-ene-1,3,23,24-tetrol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] C43H68O18 872.440565 NA MeJP NA NA +PJ061200 APKHHHF C41H56N14O8 872.4406 NA PeJP NA NA +MJ096656 Halishigamide C C44H64N4O14 872.441902 NA MeJP NA NA +MJ096657 Halishigamide D C44H64N4O14 872.441902 NA MeJP NA NA +PJ061201 PVLEEMR C37H64N10O12S 872.4426 NA PeJP NA NA +PJ061202 TLKYYW C45H60N8O10 872.4433 NA PeJP NA NA +PJ061203 PQMRRW C38H60N14O8S 872.444 NA PeJP NA NA +3827 ileum contracting peptide PMYPLPR 872.4444 neuropeptide Inhouse_peptide NA peptide +PJ061204 GVQEERR C34H60N14O13 872.4465 NA PeJP NA NA +PJ061205 GVLKMYY C42H64N8O10S 872.4466 NA PeJP NA NA +PJ061206 PVVLEMW C42H64N8O10S 872.4467 NA PeJP NA NA +PJ061207 ACKKMHR C35H64N14O8S2 872.4473 NA PeJP NA NA +PJ061208 GPNHHRR C35H56N18O9 872.4478 NA PeJP NA NA +PJ061209 LLLQEEE C38H64N8O15 872.4492 NA PeJP NA NA +PJ061210 APPTLLMM C39H68N8O10S2 872.45 NA PeJP NA NA +PJ061211 GPTKERW C39H60N12O11 872.4505 NA PeJP NA NA +PJ061212 PVNKEMR C36H64N12O11S 872.4539 NA PeJP NA NA +PJ061213 PKKEWW C44H60N10O9 872.4545 NA PeJP NA NA +PJ061214 PCRRRW C37H60N16O7S 872.4552 NA PeJP NA NA +MJ096658 3,16,17-Trihydroxycholest-5-en-22-one, 16-O-[4-Methoxybenzoyl-(?2)-?-D-xylopyranosyl-(1?3)-2-O-acetyl-?-L-arabinopyranoside] C47H68O15 872.455821 NA MeJP NA NA +MJ096659 Pectenotoxin 1; 43-Ketone C47H68O15 872.455821 NA MeJP NA NA +PJ061215 QEERRR C33H60N16O12 872.4577 NA PeJP NA NA +PJ061216 SPPKKMW C41H64N10O9S 872.4579 NA PeJP NA NA +PJ061217 VKFFFW C49H60N8O7 872.4585 NA PeJP NA NA +PJ061218 VVLEEER C37H64N10O14 872.4604 NA PeJP NA NA +PJ061219 TLLKMMH C38H68N10O9S2 872.4613 NA PeJP NA NA +MJ096660 11-Hydroxyhexadecanoic acid, O-[6-Deoxy-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-6-deoxy-?-D-galactopyranoside] C40H72O20 872.461694 NA MeJP NA NA +MJ096661 11-Hydroxyhexadecanoic acid, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C40H72O20 872.461694 NA MeJP NA NA +PJ061220 VQERRW C38H60N14O10 872.4617 NA PeJP NA NA +MJ096662 N-Deacyltunicamycin; N4''-(16-Methyl-2-heptadecenoyl) C41H68N4O16 872.463032 NA MeJP NA NA +PJ061221 ALLLEEW C42H64N8O12 872.4644 NA PeJP NA NA +7796 Antioxidant peptide derived from bovine b-casein VKEAMAPK 872.4644 antioxidative Inhouse_peptide NA peptide +PJ061222 GPKEMRR C35H64N14O10S 872.4651 NA PeJP NA NA +PJ061223 PTKRWW C43H60N12O8 872.4657 NA PeJP NA NA +PJ061224 GGVLRWW C43H60N12O8 872.4658 NA PeJP NA NA +PJ061225 GPTLLLEM C39H68N8O12S 872.4678 NA PeJP NA NA +PJ061226 DDRRRR C32H60N18O11 872.4689 NA PeJP NA NA +PJ061227 GGGGGTRRR C32H60N18O11 872.469 NA PeJP NA NA +PJ061228 GPVKMRW C40H64N12O8S 872.4691 NA PeJP NA NA +PJ061229 SPKKEER C36H64N12O13 872.4716 NA PeJP NA NA +PJ061230 AKKKMMH C37H68N12O8S2 872.4725 NA PeJP NA NA +PJ061231 AERRRW C37H60N16O9 872.473 NA PeJP NA NA +PJ061232 SPVKKEW C41H64N10O11 872.4756 NA PeJP NA NA +PJ061233 GGAILKEW C41H64N10O11 872.4757 NA PeJP NA NA +PJ061234 GPTMRRR C34H64N16O9S 872.4763 NA PeJP NA NA +MJ096663 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] C44H72O17 872.47695 NA MeJP NA NA +MJ096664 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] C44H72O17 872.47695 NA MeJP NA NA +MJ096665 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] C44H72O17 872.47695 NA MeJP NA NA +MJ096666 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?3)]-?-D-galactopyranoside] C44H72O17 872.47695 NA MeJP NA NA +MJ096667 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] C44H72O17 872.47695 NA MeJP NA NA +MJ096668 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] C44H72O17 872.47695 NA MeJP NA NA +MJ096669 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?3)]-?-D-galactopyranoside] C44H72O17 872.47695 NA MeJP NA NA +MJ096670 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?4)]-?-D-glucopyranoside] C44H72O17 872.47695 NA MeJP NA NA +MJ096671 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] C44H72O17 872.47695 NA MeJP NA NA +MJ096672 Spirostan-3-ol, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-galactopyranoside] C44H72O17 872.47695 NA MeJP NA NA +MJ096673 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] C44H72O17 872.47695 NA MeJP NA NA +PJ061235 GLRRWW C42H60N14O7 872.477 NA PeJP NA NA +PJ061236 PLQKKEM C38H68N10O11S 872.479 NA PeJP NA NA +PJ061237 PPVVLYW C46H64N8O9 872.4797 NA PeJP NA NA +PJ061238 PKMRRW C39H64N14O7S 872.4804 NA PeJP NA NA +PJ061239 SPTKERR C35H64N14O12 872.4828 NA PeJP NA NA +PJ061240 GVKEERR C35H64N14O12 872.4829 NA PeJP NA NA +PJ061241 PTLLLMW C43H68N8O9S 872.483 NA PeJP NA NA +PJ061242 LLLKEEE C39H68N8O14 872.4855 NA PeJP NA NA +PJ061243 GPVLLLMM C40H72N8O9S2 872.4864 NA PeJP NA NA +PJ061244 AALKERW C40H64N12O10 872.4869 NA PeJP NA NA +PJ061245 PTLQKMR C37H68N12O10S 872.4902 NA PeJP NA NA +PJ061246 PVDKKMR C37H68N12O10S 872.4903 NA PeJP NA NA +PJ061247 LLQKWW C45H64N10O8 872.4909 NA PeJP NA NA +C11968 Avermectin A1b C48H72O14 872.4922 NA KEGG NA NA +C11983 Avermectin B1a C48H72O14 872.4922 NA KEGG NA NA +MJ096674 Avermectin B1a C48H72O14 872.492207 NA MeJP NA NA +MJ096675 Avermectin B1b; O5-Me C48H72O14 872.492207 NA MeJP NA NA +PJ061248 KEERRR C34H64N16O11 872.4941 NA PeJP NA NA +PJ061249 APLKKMW C42H68N10O8S 872.4943 NA PeJP NA NA +PJ061250 TLLLEER C38H68N10O13 872.4968 NA PeJP NA NA +PJ061251 PLLLMMR C39H72N10O8S2 872.4976 NA PeJP NA NA +PJ061252 VKERRW C39H64N14O9 872.4981 NA PeJP NA NA +PJ061253 SLLLLEW C43H68N8O11 872.5008 NA PeJP NA NA +PJ061254 SPVKMRR C36H68N14O9S 872.5015 NA PeJP NA NA +PJ061255 VVKRWW C44H64N12O7 872.5021 NA PeJP NA NA +PJ061256 AALLLLEM C40H72N8O11S 872.5042 NA PeJP NA NA +PJ061257 TERRRR C33H64N18O10 872.5053 NA PeJP NA NA +PJ061258 ALKKEER C37H68N12O12 872.508 NA PeJP NA NA +PJ061259 SLRRRW C38H64N16O8 872.5093 NA PeJP NA NA +PJ061260 AAPFRRR C38H64N16O8 872.5094 NA PeJP NA NA +PJ061261 GLLKKEW C42H68N10O10 872.512 NA PeJP NA NA +PJ061262 AALMRRR C35H68N16O8S 872.5127 NA PeJP NA NA +MJ096676 3,6,16,22-Hopanetetrol, 3-O-?-D-Xylopyranoside, 6-O-?-L-arabinopyranoside, 22-O-?-D-xylopyranoside C45H76O16 872.513336 NA MeJP NA NA +MJ096677 3,6,16,22-Hopanetetrol, 3-O-[?-D-Xylopyranosyl-(1?3)-?-L-arabinopyranoside], 16-?-L-arabinopyranoside C45H76O16 872.513336 NA MeJP NA NA +MJ096678 Semduramicin C45H76O16 872.513336 NA MeJP NA NA +MJ096679 Antibiotic PF 1022; Antibiotic PF 1022D C46H72N4O12 872.514673 NA MeJP NA NA +PJ061263 VLLLEMR C39H72N10O10S 872.5154 NA PeJP NA NA +PJ061264 PVVLLFW C47H68N8O8 872.5161 NA PeJP NA NA +PJ061265 ATLKERR C36H68N14O11 872.5192 NA PeJP NA NA +PJ061266 GGAKKKER C36H68N14O11 872.5193 NA PeJP NA NA +PJ061267 VVLLLMW C44H72N8O8S 872.5194 NA PeJP NA NA +PJ061268 ATTLLLLE C40H72N8O13 872.5219 NA PeJP NA NA +PJ061269 GTLLKRW C41H68N12O9 872.5233 NA PeJP NA NA +PJ061270 VMRRRR C34H68N18O7S 872.524 NA PeJP NA NA +PJ061271 PTLKKMR C38H72N12O9S 872.5266 NA PeJP NA NA +PJ061272 LLKKWW C46H68N10O7 872.5273 NA PeJP NA NA +PJ061273 ATTLRRR C35H68N16O10 872.5305 NA PeJP NA NA +PJ061274 SSPTLLKK C39H72N10O12 872.5331 NA PeJP NA NA +PJ061275 VLKKKEE C39H72N10O12 872.5332 NA PeJP NA NA +PJ061276 QKKKRW C40H68N14O8 872.5345 NA PeJP NA NA +PJ061277 AAPLLLLY C44H72N8O10 872.5372 NA PeJP NA NA +PJ061278 GLLKMRR C37H72N14O8S 872.5379 NA PeJP NA NA +PJ061279 GTLLLLLM C41H76N8O10S 872.5406 NA PeJP NA NA +PJ061280 SLLKKER C38H72N12O11 872.5444 NA PeJP NA NA +PJ061281 SVLLKKW C43H72N10O9 872.5484 NA PeJP NA NA +PJ061282 LLLQKKM C40H76N10O9S 872.5518 NA PeJP NA NA +PJ061283 STLLKRR C37H72N14O10 872.5556 NA PeJP NA NA +PJ061284 STTLLLLL C41H76N8O12 872.5583 NA PeJP NA NA +PJ061285 GVKKKKW C42H72N12O8 872.5597 NA PeJP NA NA +PJ061286 VVLKKMR C39H76N12O8S 872.563 NA PeJP NA NA +PJ061287 GTKKKRR C36H72N16O9 872.5669 NA PeJP NA NA +PJ061288 GTTLLLKK C40H76N10O11 872.5695 NA PeJP NA NA +PJ061289 KKKKRW C41H72N14O7 872.5709 NA PeJP NA NA +PJ061290 AALLLLLF C45H76N8O9 872.5736 NA PeJP NA NA +PJ061291 VDKKKKK C39H76N12O10 872.5808 NA PeJP NA NA +PJ061292 VLLLLFR C44H76N10O8 872.5848 NA PeJP NA NA +PJ061293 LLLKKKM C41H80N10O8S 872.5882 NA PeJP NA NA +PJ061294 SVKKKKR C38H76N14O9 872.592 NA PeJP NA NA +PJ061295 TLKKKKK C40H80N12O9 872.6172 NA PeJP NA NA +MJ096680 Molliorin B C58H84N2O4 872.643109 NA MeJP NA NA +MJ096681 34-Ethylhuratoxin; 5-Deoxy, 6,7-deepoxy, 6,7,26,27-tetradehydro, 20-eicosanoyl C56H88O7 872.653005 NA MeJP NA NA +MJ096682 Glycerol tri-9,11,13-octadecatrienoate C57H92O6 872.68939 NA MeJP NA NA +MJ096683 Glycerol tri-9,12,15-octadecatrienoate C57H92O6 872.68939 NA MeJP NA NA +MJ096684 Glycerol trialkanoates (diacid, unsymmetrical); Glycerol 1,2-di-(9Z,11E,13Z-octadecatrienoate) 3-(8Z,11Z,13E-octadecatrienoate) C57H92O6 872.68939 NA MeJP NA NA +HMDB10498 TG(18:3(9Z,12Z,15Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C57H92O6 872.689392 NA HMDB2010 NA NA +MJ096685 2-Amino-17-methyl-1,3,4-octadecanetriol, N-(2R-Hydroxydocosanoyl), 1-O-(2-acetamido-2-deoxy-?-D-glucopyranoside) C49H96N2O10 872.706497 NA MeJP NA NA +MJ096686 1-Dotriacontanol; Octacosanoyl C60H120O2 872.928833 NA MeJP NA NA +MetaCyc04221 cyclohexa-1,5-dienecarbonyl-CoA [S-1,5-cyclohexadiene-1-carboxylate coenzymeA;cyclohexa-1,5-diene-1-carbonyl-CoA;] C28H42N7O17P3S1 873.157073 NA metacyc NA NA +MetaCyc04222 cyclohex-1,5-diene-1-carboxyl-CoA [cyclohex-1,5-diene-1-carbonyl-CoA;cyclohexa-1,5-diene-1-carboxyl-CoA;cyclohexa-1,5-diene-1-carbonyl-CoA;] C28H42N7O17P3S1 873.157073 NA metacyc NA NA +C06322 S-1,5-Cyclohexadiene-1-carboxylate coenzymeA C28H42N7O17P3S 873.1571 NA KEGG NA NA +C09809 Cyclohex-2,5-diene-1-carboxyl-CoA C28H42N7O17P3S 873.1571 NA KEGG NA NA +C09810 Cyclohex-1,4-diene-1-carboxyl-CoA C28H42N7O17P3S 873.1571 NA KEGG NA NA +HMDB12207 Cyclohex-1,5-diene-1-carboxyl-CoA C28H42N7O17P3S 873.157104 NA HMDB2010 NA NA +PJ061296 SCCCNDDD C28H43N9O17S3 873.1939 NA PeJP NA NA +PJ061297 GGSCCCDDD C28H43N9O17S3 873.194 NA PeJP NA NA +PJ061298 PCCCCCNE C29H47N9O12S5 873.1948 NA PeJP NA NA +FL7AACGL0055 Cyanidin 3-(6''-ferulylglucoside)-5-(6'''-malonylglucoside) C40H41O22 873.20894 123453-03-2 knapsack NA NA +FL7AAHGL0014 Petunidin 3-(6''-p-coumarylglucoside)-5-(6'''-malonylglucoside) C40H41O22 873.20894 163857-14-5 knapsack NA NA +PJ061299 GPCCCCCW C33H47N9O9S5 873.2101 NA PeJP NA NA +PJ061300 GCCCNDEM C29H47N9O14S4 873.2126 NA PeJP NA NA +PJ061301 GCCCCDDR C28H47N11O13S4 873.2238 NA PeJP NA NA +PJ061302 CCCNDMW C33H47N9O11S4 873.2278 NA PeJP NA NA +PJ061303 SSCCNDDM C29H47N9O16S3 873.2303 NA PeJP NA NA +PJ061304 SPCCCCQM C30H51N9O11S5 873.2312 NA PeJP NA NA +PJ061305 CDDDDEY C33H43N7O19S 873.2335 NA PeJP NA NA +PJ061306 CDDEMMM C31H51N7O14S4 873.2377 NA PeJP NA NA +PJ061307 GSSSCCCNN C28H47N11O15S3 873.2416 NA PeJP NA NA +PJ061308 SPCCCCCR C29H51N11O10S5 873.2424 NA PeJP NA NA +MJ096687 Tatiopterin; Tatiopterin O C33H44N7O19P 873.242958 NA MeJP NA NA +PJ061309 ACCCCWW C37H47N9O8S4 873.2431 NA PeJP NA NA +PJ061310 GSSCCCEW C33H47N9O13S3 873.2456 NA PeJP NA NA +PJ061311 CCCMMHF C34H51N9O8S5 873.2465 NA PeJP NA NA +PJ061312 GSSSSCCDE C29H47N9O18S2 873.2481 NA PeJP NA NA +PJ061313 GSCCNEMM C30H51N9O13S4 873.249 NA PeJP NA NA +PJ061314 GCCCYYY C38H47N7O11S3 873.2496 NA PeJP NA NA +PJ061315 CDDDEMF C34H47N7O16S2 873.2521 NA PeJP NA NA +PJ061316 GCCCNNNF C32H47N11O12S3 873.2568 NA PeJP NA NA +PJ061317 GSCCCDMR C29H51N11O12S4 873.2602 NA PeJP NA NA +PJ061318 SSCCCWW C37H47N9O10S3 873.2608 NA PeJP NA NA +PJ061319 DDDDEEH C32H43N9O20 873.2625 NA PeJP NA NA +PJ061320 SSSSCCDW C33H47N9O15S2 873.2633 NA PeJP NA NA +PJ061321 GGGGCDDMY C33H47N9O15S2 873.2634 NA PeJP NA NA +PJ061322 SCCNMMW C34H51N9O10S4 873.2642 NA PeJP NA NA +PJ061323 SSSSSSCDD C29H47N9O20S 873.2658 NA PeJP NA NA +PJ061324 SSSCNDMM C30H51N9O15S3 873.2667 NA PeJP NA NA +PJ061325 CNNMMMM C31H55N9O10S5 873.2676 NA PeJP NA NA +PJ061326 GSCCCQHH C31H47N13O11S3 873.2681 NA PeJP NA NA +MJ096688 Perdeacylhypoglaunine; 14-(3-Furancarbonyl), 1,2,6,8,9-penta-Ac C41H47NO20 873.269142 NA MeJP NA NA +MJ096689 Perdeacylhypoglaunine; 2-(2-Furancarbonyl), 1,6,8,9,14-penta-Ac C41H47NO20 873.269142 NA MeJP NA NA +MJ096690 Perdeacylisowilfordine; 2-(3-Furancarbonyl), 1,6,8,9,14-penta-Ac C41H47NO20 873.269142 NA MeJP NA NA +MJ096691 Perdeacylwilfortrine; 2-O-(3-Furancarbonyl), 1,6,8,9,14-penta-Ac C41H47NO20 873.269142 NA MeJP NA NA +PJ061327 SDDDEMY C34H47N7O18S 873.2699 NA PeJP NA NA +PJ061328 PCDDMMY C35H51N7O13S3 873.2707 NA PeJP NA NA +PJ061329 GSNDDDDH C31H43N11O19 873.2737 NA PeJP NA NA +PJ061330 SDEMMMM C32H55N7O13S4 873.2741 NA PeJP NA NA +PJ061331 GSCCNNNY C32H47N11O14S2 873.2746 NA PeJP NA NA +PJ061332 PCMMMMM C33H59N7O8S6 873.275 NA PeJP NA NA +PJ061333 TCCCCRW C33H51N11O9S4 873.2754 NA PeJP NA NA +PJ061334 SSSCCCER C29H51N11O14S3 873.2779 NA PeJP NA NA +PJ061335 GCCNEYW C37H47N9O12S2 873.2786 NA PeJP NA NA +PJ061336 CCCQMMR C30H55N11O9S5 873.2788 NA PeJP NA NA +PJ061337 GSSCNDEY C33H47N9O17S 873.2811 NA PeJP NA NA +PJ061338 GSSTCCMW C34H51N9O12S3 873.282 NA PeJP NA NA +PJ061339 GSSSSSCEM C30H51N9O17S2 873.2845 NA PeJP NA NA +PJ061340 PCDDDFY C38H47N7O15S 873.2851 NA PeJP NA NA +PJ061341 GSSCQMMM C31H55N9O12S4 873.2853 NA PeJP NA NA +PJ061342 SSSCCNHH C31H47N13O13S2 873.2858 NA PeJP NA NA +PJ061343 GDEEMMY C35H51N7O15S2 873.2885 NA PeJP NA NA +PJ061344 PCDMMMF C36H55N7O10S4 873.2894 NA PeJP NA NA +PJ061345 PCCNDHW C36H47N11O11S2 873.2898 NA PeJP NA NA +PJ061346 CCCCMRR C29H55N13O8S5 873.2901 NA PeJP NA NA +PJ061347 NNDDEMH C32H47N11O16S 873.2923 NA PeJP NA NA +PJ061348 GGGGDDEMH C32H47N11O16S 873.2924 NA PeJP NA NA +PJ061349 AEMMMMM C33H59N7O10S5 873.2927 NA PeJP NA NA +PJ061350 CCCNEFR C33H51N11O11S3 873.2932 NA PeJP NA NA +PJ061351 CCNYWW C41H47N9O9S2 873.2938 NA PeJP NA NA +PJ061352 GGCCYWW C41H47N9O9S2 873.2939 NA PeJP NA NA +PJ061353 SSCNDYW C37H47N9O14S 873.2963 NA PeJP NA NA +PJ061354 GGSSCDYW C37H47N9O14S 873.2964 NA PeJP NA NA +PJ061355 GSSCCMMR C30H55N11O11S4 873.2966 NA PeJP NA NA +PJ061356 GCCQMFW C38H51N9O9S3 873.2972 NA PeJP NA NA +PJ061357 SSSSNDDY C33H47N9O19 873.2988 NA PeJP NA NA +PJ061358 GGSSSSDDY C33H47N9O19 873.2989 NA PeJP NA NA +PJ061359 SSSSSCMW C34H51N9O14S2 873.2997 NA PeJP NA NA +PJ061360 TCCCKMW C35H55N9O9S4 873.3006 NA PeJP NA NA +PJ061361 CCNNHHF C35H47N13O10S2 873.3011 NA PeJP NA NA +PJ061362 SSSSSSSDM C30H51N9O19S 873.3022 NA PeJP NA NA +PJ061363 SPDDDYY C38H47N7O17 873.3029 NA PeJP NA NA +PJ061364 SSSSNMMM C31H55N9O14S3 873.3031 NA PeJP NA NA +PJ061365 CNDDDHR C31H47N13O15S 873.3036 NA PeJP NA NA +PJ061366 DEMMYW C39H51N7O12S2 873.3037 NA PeJP NA NA +PJ061367 PCDDMFF C39H51N7O12S2 873.3038 NA PeJP NA NA +PJ061368 CCQKMMM C32H59N9O9S5 873.304 NA PeJP NA NA +PJ061369 GSCCCKHH C32H51N13O10S3 873.3044 NA PeJP NA NA +PJ061370 SSEEEMY C35H51N7O17S 873.3062 NA PeJP NA NA +PJ061371 SPDMMMY C36H55N7O12S3 873.3071 NA PeJP NA NA +PJ061372 GNDDMHW C36H47N11O13S 873.3076 NA PeJP NA NA +PJ061373 GCCCFRW C37H51N11O8S3 873.3085 NA PeJP NA NA +PJ061374 GSSNDEEH C32H47N11O18 873.3101 NA PeJP NA NA +PJ061375 TTEMMMM C33H59N7O12S4 873.3105 NA PeJP NA NA +PJ061376 SCCNERY C33H51N11O13S2 873.311 NA PeJP NA NA +PJ061377 GMMMMHH C34H55N11O8S4 873.3118 NA PeJP NA NA +PJ061378 TCCHHHH C34H47N15O9S2 873.3123 NA PeJP NA NA +PJ061379 GNNDEYY C37H47N9O16 873.3141 NA PeJP NA NA +PJ061380 SSSTCCMR C30H55N11O13S3 873.3143 NA PeJP NA NA +PJ061381 GSCQMYW C38H51N9O11S2 873.315 NA PeJP NA NA +PJ061382 CCCKMMR C31H59N11O8S5 873.3152 NA PeJP NA NA +PJ061383 GSSSNEMY C34H51N9O16S 873.3175 NA PeJP NA NA +PJ061384 DDEFYW C42H47N7O14 873.3181 NA PeJP NA NA +PJ061385 GNQMMMY C35H55N9O11S3 873.3183 NA PeJP NA NA +PJ061386 GGGQMMMY C35H55N9O11S3 873.3184 NA PeJP NA NA +PJ061387 SCNNNHW C35H47N13O12S 873.3188 NA PeJP NA NA +PJ061388 GSSSSSTMM C31H55N9O16S2 873.3208 NA PeJP NA NA +PJ061389 SSSNNNDH C31H47N13O17 873.3213 NA PeJP NA NA +PJ061390 GPDEMYY C39H51N7O14S 873.3215 NA PeJP NA NA +PJ061391 GSSCKMMM C32H59N9O11S4 873.3217 NA PeJP NA NA +PJ061392 GSPCCDHR C32H51N13O12S2 873.3222 NA PeJP NA NA +PJ061393 EMMMFW C40H55N7O9S3 873.3224 NA PeJP NA NA +PJ061394 CNEHWW C40H47N11O10S 873.3228 NA PeJP NA NA +PJ061395 GGCEHWW C40H47N11O10S 873.3229 NA PeJP NA NA +PJ061396 ATEEMMY C36H55N7O14S2 873.3249 NA PeJP NA NA +PJ061397 SSNDEHW C36H47N11O15 873.3253 NA PeJP NA NA +PJ061398 GGSSDEHW C36H47N11O15 873.3254 NA PeJP NA NA +PJ061399 APMMMMY C37H59N7O9S4 873.3257 NA PeJP NA NA +PJ061400 GSCCRYW C37H51N11O10S2 873.3262 NA PeJP NA NA +PJ061401 GSSSCDRY C33H51N11O15S 873.3287 NA PeJP NA NA +PJ061402 SLMMMMM C34H63N7O9S5 873.3291 NA PeJP NA NA +PJ061403 NNDYYW C41H47N9O13 873.3294 NA PeJP NA NA +PJ061404 GCNMMRY C34H55N11O10S3 873.3296 NA PeJP NA NA +PJ061405 ACCHFFF C42H51N9O8S2 873.3302 NA PeJP NA NA +PJ061406 GNNNNNNN C30H47N15O16 873.3325 NA PeJP NA NA +PJ061407 GGGNNNNNN C30H47N15O16 873.3326 NA PeJP NA NA +PJ061408 SSSNMYW C38H51N9O13S 873.3327 NA PeJP NA NA +PJ061409 GGPPDDMW C38H51N9O13S 873.3328 NA PeJP NA NA +PJ061410 CCNNQHR C31H51N15O11S2 873.3334 NA PeJP NA NA +PJ061411 GGGGGACCHR C31H51N15O11S2 873.3335 NA PeJP NA NA +PJ061412 GCCKMFW C39H55N9O8S3 873.3336 NA PeJP NA NA +PJ061413 SSSSSQEY C34H51N9O18 873.3352 NA PeJP NA NA +PJ061414 GGPQEEEE C34H51N9O18 873.3353 NA PeJP NA NA +PJ061415 SSQQMMY C35H55N9O13S2 873.3361 NA PeJP NA NA +PJ061416 NNNNDHF C35H47N13O14 873.3366 NA PeJP NA NA +PJ061417 PDMYYW C43H51N7O11S 873.3368 NA PeJP NA NA +PJ061418 PPMMMMH C36H59N9O8S4 873.337 NA PeJP NA NA +PJ061419 GCHWWW C44H47N11O7S 873.3381 NA PeJP NA NA +PJ061420 SSSSSSTTM C31H55N9O18S 873.3386 NA PeJP NA NA +PJ061421 SSPEEYY C39H51N7O16 873.3392 NA PeJP NA NA +PJ061422 AAEEEYY C39H51N7O16 873.3393 NA PeJP NA NA +PJ061423 SSSTCKMM C32H59N9O13S3 873.3395 NA PeJP NA NA +PJ061424 GSSNNQMH C32H51N13O14S 873.3399 NA PeJP NA NA +PJ061425 SNDDMHR C32H51N13O14S 873.34 NA PeJP NA NA +PJ061426 PPTCMYY C40H55N7O11S2 873.3401 NA PeJP NA NA +PJ061427 CCKKMMM C33H63N9O8S5 873.3403 NA PeJP NA NA +PJ061428 GSSDHWW C40H47N11O12 873.3406 NA PeJP NA NA +PJ061429 ACCCRRY C33H55N13O9S3 873.3408 NA PeJP NA NA +PJ061430 TTTEEMY C36H55N7O16S 873.3426 NA PeJP NA NA +PJ061431 GLEMMMY C37H59N7O11S3 873.3435 NA PeJP NA NA +PJ061432 GSQEMHW C37H51N11O12S 873.344 NA PeJP NA NA +PJ061433 GCHHHHF C38H47N15O8S 873.3453 NA PeJP NA NA +PJ061434 PNDDEER C33H51N11O17 873.3465 NA PeJP NA NA +PJ061435 SSCQMRY C34H55N11O12S2 873.3473 NA PeJP NA NA +PJ061436 GAAQEMMH C34H55N11O12S2 873.3474 NA PeJP NA NA +PJ061437 SNNEHHH C34H47N15O13 873.3478 NA PeJP NA NA +PJ061438 GPPCEWW C42H51N9O10S 873.348 NA PeJP NA NA +PJ061439 GSSSSTYW C38H51N9O15 873.3505 NA PeJP NA NA +PJ061440 GSSCNNHR C31H51N15O13S 873.3512 NA PeJP NA NA +PJ061441 GSCKMYW C39H55N9O10S2 873.3514 NA PeJP NA NA +PJ061442 EEHHHW C39H47N13O11 873.3518 NA PeJP NA NA +PJ061443 PCCCHRR C32H55N15O8S3 873.3521 NA PeJP NA NA +PJ061444 GSSSDKMY C35H55N9O15S 873.3539 NA PeJP NA NA +PJ061445 VDEYYW C43H51N7O13 873.3545 NA PeJP NA NA +PJ061446 GNKMMMY C36H59N9O10S3 873.3547 NA PeJP NA NA +PJ061447 GGGPPPMMM C36H59N9O10S3 873.3548 NA PeJP NA NA +PJ061448 GSCEHRW C36H51N13O11S 873.3552 NA PeJP NA NA +PJ061449 PMMFYW C44H55N7O8S2 873.3554 NA PeJP NA NA +PJ061450 GSSSDEHR C32H51N13O16 873.3577 NA PeJP NA NA +PJ061451 GGGGGGGGGGGVE C32H51N13O16 873.3578 NA PeJP NA NA +PJ061452 APTEMYY C40H55N7O13S 873.3579 NA PeJP NA NA +PJ061453 SSCCRRY C33H55N13O11S2 873.3586 NA PeJP NA NA +PJ061454 LMMMYW C41H59N7O8S3 873.3588 NA PeJP NA NA +PJ061455 SQMHWW C41H51N11O9S 873.3592 NA PeJP NA NA +PJ061456 PLEEEEE C36H55N7O18 873.3604 NA PeJP NA NA +PJ061457 STLEMMY C37H59N7O13S2 873.3613 NA PeJP NA NA +PJ061458 GPDDERW C37H51N11O14 873.3617 NA PeJP NA NA +PJ061459 GGGGGGPTEW C37H51N11O14 873.3618 NA PeJP NA NA +PJ061460 ALMMMMF C38H63N7O8S4 873.3621 NA PeJP NA NA +PJ061461 AAQMMHW C38H55N11O9S2 873.3626 NA PeJP NA NA +PJ061462 GSNHHHW C38H47N15O10 873.3631 NA PeJP NA NA +PJ061463 PPCWWW C46H51N9O7S 873.3633 NA PeJP NA NA +PJ061464 GSSSSMRY C34H55N11O14S 873.3651 NA PeJP NA NA +PJ061465 SQQYYW C42H51N9O12 873.3657 NA PeJP NA NA +MJ096692 Lyciumin; Lyciumin A C42H51N9O12 873.365718 NA MeJP NA NA +PJ061466 PQEEWW C42H51N9O12 873.3658 NA PeJP NA NA +PJ061467 ACCKMRY C35H59N11O9S3 873.366 NA PeJP NA NA +PJ061468 GQQMHHH C35H51N15O10S 873.3664 NA PeJP NA NA +PJ061469 GGAQMHHH C35H51N15O10S 873.3665 NA PeJP NA NA +PJ061470 NNNNNER C31H51N15O15 873.3689 NA PeJP NA NA +PJ061471 GGGGNNNER C31H51N15O15 873.369 NA PeJP NA NA +PJ061472 SSTCKYW C39H55N9O12S 873.3691 NA PeJP NA NA +PJ061473 PDFFYW C47H51N7O10 873.3698 NA PeJP NA NA +PJ061474 SCHRWW C40H51N13O8S 873.3705 NA PeJP NA NA +PJ061475 SSSSSKEY C35H55N9O17 873.3716 NA PeJP NA NA +PJ061476 SSQKMMY C36H59N9O12S2 873.3725 NA PeJP NA NA +PJ061477 SSSDHRW C36H51N13O13 873.373 NA PeJP NA NA +PJ061478 VEMFYW C44H55N7O10S 873.3731 NA PeJP NA NA +PJ061479 GPEMFFF C44H55N7O10S 873.3732 NA PeJP NA NA +PJ061480 NMMHRW C37H55N13O8S2 873.3738 NA PeJP NA NA +PJ061481 GTLEEYY C40H55N7O15 873.3756 NA PeJP NA NA +PJ061482 SSQEMHR C33H55N13O13S 873.3763 NA PeJP NA NA +PJ061483 GGGGPNEMR C33H55N13O13S 873.3764 NA PeJP NA NA +PJ061484 GPLMMYY C41H59N7O10S2 873.3765 NA PeJP NA NA +PJ061485 PDDRWW C41H51N11O11 873.377 NA PeJP NA NA +PJ061486 PCCKMHR C34H59N13O8S3 873.3772 NA PeJP NA NA +PJ061487 GCQHHHR C34H51N17O9S 873.3777 NA PeJP NA NA +PJ061488 SVLMMMY C38H63N7O10S3 873.3799 NA PeJP NA NA +PJ061489 NQMRYY C38H55N11O11S 873.3803 NA PeJP NA NA +PJ061490 SPPCERW C38H55N11O11S 873.3804 NA PeJP NA NA +PJ061491 APEWWW C46H51N9O9 873.381 NA PeJP NA NA +PJ061492 SSSSSTRY C34H55N11O16 873.3828 NA PeJP NA NA +PJ061493 SPQEEER C34H55N11O16 873.3829 NA PeJP NA NA +PJ061494 SSCKMRY C35H59N11O11S2 873.3837 NA PeJP NA NA +PJ061495 GGGGAPPCKM C35H59N11O11S2 873.3838 NA PeJP NA NA +PJ061496 GNNNNRW C35H51N15O12 873.3842 NA PeJP NA NA +PJ061497 GPPTMWW C43H55N9O9S 873.3844 NA PeJP NA NA +PJ061498 GPKEEEW C39H55N9O14 873.3869 NA PeJP NA NA +PJ061499 SSCEHRR C32H55N15O12S 873.3876 NA PeJP NA NA +PJ061500 ACQKMFF C40H59N9O9S2 873.3877 NA PeJP NA NA +PJ061501 PPVNMMW C40H59N9O9S2 873.3878 NA PeJP NA NA +PJ061502 NDHFRW C40H51N13O10 873.3882 NA PeJP NA NA +PJ061503 PMFFFW C48H55N7O7S 873.3884 NA PeJP NA NA +PJ061504 GSSTTKMY C36H59N9O14S 873.3902 NA PeJP NA NA +PJ061505 GSPPKEEM C36H59N9O14S 873.3903 NA PeJP NA NA +PJ061506 TLEYYW C44H55N7O12 873.3909 NA PeJP NA NA +PJ061507 ACKKMMY C37H63N9O9S3 873.3911 NA PeJP NA NA +PJ061508 GSTMHRW C37H55N13O10S 873.3916 NA PeJP NA NA +PJ061509 LMMFFW C45H59N7O7S2 873.3918 NA PeJP NA NA +PJ061510 AQHFWW C45H51N11O8 873.3922 NA PeJP NA NA +PJ061511 GAAHFWW C45H51N11O8 873.3923 NA PeJP NA NA +PJ061512 SPDDERR C33H55N13O15 873.3941 NA PeJP NA NA +PJ061513 GVLEMYY C41H59N7O12S 873.3943 NA PeJP NA NA +MJ096693 Pepticinnamin; Pepticinnamin D C49H55N5O10 873.394893 NA MeJP NA NA +PJ061514 PPCDMRR C34H59N13O10S2 873.395 NA PeJP NA NA +PJ061515 SSNHHHR C34H51N17O11 873.3954 NA PeJP NA NA +PJ061516 SKMHWW C42H55N11O8S 873.3956 NA PeJP NA NA +PJ061517 GPTEERW C38H55N11O13 873.3981 NA PeJP NA NA +PJ061518 GPPMMRW C39H59N11O8S2 873.399 NA PeJP NA NA +PJ061519 PVNEEMR C35H59N11O13S 873.4015 NA PeJP NA NA +PJ061520 PKEEWW C43H55N9O11 873.4021 NA PeJP NA NA +PJ061521 GAAPPEFW C43H55N9O11 873.4022 NA PeJP NA NA +PJ061522 PCKKMMH C36H63N11O8S3 873.4024 NA PeJP NA NA +PJ061523 PPCQHHR C36H55N15O9S 873.4028 NA PeJP NA NA +PJ061524 GNNEERR C32H55N15O14 873.4053 NA PeJP NA NA +PJ061525 GGGGGGNDKR C32H55N15O14 873.4054 NA PeJP NA NA +PJ061526 SPPKEMW C40H59N9O11S 873.4055 NA PeJP NA NA +PJ061527 PVFYYW C48H55N7O9 873.4062 NA PeJP NA NA +PJ061528 MHHFFR C41H55N13O7S 873.4069 NA PeJP NA NA +PJ061529 SSSTTTKY C36H59N9O16 873.408 NA PeJP NA NA +PJ061530 SSKKMMY C37H63N9O11S2 873.4089 NA PeJP NA NA +PJ061531 SSTTHRW C37H55N13O12 873.4093 NA PeJP NA NA +PJ061532 GGAAQERW C37H55N13O12 873.4094 NA PeJP NA NA +PJ061533 VLMYYW C45H59N7O9S 873.4095 NA PeJP NA NA +PJ061534 GLHHHHH C38H51N17O8 873.4107 NA PeJP NA NA +PJ061535 SSLLEYY C41H59N7O14 873.412 NA PeJP NA NA +PJ061536 GPEEMRR C34H59N13O12S 873.4127 NA PeJP NA NA +PJ061537 GGGGGGGPCKK C34H59N13O12S 873.4128 NA PeJP NA NA +PJ061538 GLLMMFY C42H63N7O9S2 873.4129 NA PeJP NA NA +PJ061539 PTERWW C42H55N11O10 873.4134 NA PeJP NA NA +PJ061540 GCKHHHR C35H55N17O8S 873.4141 NA PeJP NA NA +PJ061541 SNNNNRR C31H55N17O13 873.4166 NA PeJP NA NA +PJ061542 APVDMRW C39H59N11O10S 873.4167 NA PeJP NA NA +PJ061543 GPVEMRW C39H59N11O10S 873.4168 NA PeJP NA NA +PJ061544 SPLWWW C47H55N9O8 873.4174 NA PeJP NA NA +PJ061545 ALQEEER C35H59N11O15 873.4192 NA PeJP NA NA +PJ061546 SPKEEER C35H59N11O15 873.4193 NA PeJP NA NA +PJ061547 PPDKMMR C36H63N11O10S2 873.4201 NA PeJP NA NA +PJ061548 NNERRW C36H55N15O11 873.4206 NA PeJP NA NA +PJ061549 AAPLMWW C44H59N9O8S 873.4208 NA PeJP NA NA +PJ061550 SPVKEEW C40H59N9O13 873.4233 NA PeJP NA NA +PJ061551 SSTMHRR C33H59N15O11S 873.4239 NA PeJP NA NA +PJ061552 GGSPNMRR C33H59N15O11S 873.424 NA PeJP NA NA +PJ061553 PPCLKMW C41H63N9O8S2 873.4241 NA PeJP NA NA +PJ061554 AQQRWW C41H55N13O9 873.4246 NA PeJP NA NA +7802 ACE inhibitor from as2-casein NMAINPSK 873.4252 ACE inhibitor Inhouse_peptide NA peptide +PJ061555 PLQKEEM C37H63N9O13S 873.4266 NA PeJP NA NA +PJ061556 GAPLKEEM C37H63N9O13S 873.4267 NA PeJP NA NA +PJ061557 GPVLYYY C45H59N7O11 873.4273 NA PeJP NA NA +PJ061558 VLLMMMH C38H67N9O8S3 873.4275 NA PeJP NA NA +PJ061559 PEMRRW C38H59N13O9S 873.428 NA PeJP NA NA +PJ061560 AKHFWW C46H55N11O7 873.4286 NA PeJP NA NA +PJ061561 GVEEERR C34H59N13O14 873.4305 NA PeJP NA NA +PJ061562 ATLLMYY C42H63N7O11S 873.4306 NA PeJP NA NA +PJ061563 VVVTMYY C42H63N7O11S 873.4307 NA PeJP NA NA +PJ061564 SPPMMRR C35H63N13O9S2 873.4313 NA PeJP NA NA +PJ061565 GACCKKKH C35H63N13O9S2 873.4314 NA PeJP NA NA +PJ061566 GPDHHRR C35H55N17O10 873.4318 NA PeJP NA NA +PJ061567 PVMRWW C43H59N11O7S 873.432 NA PeJP NA NA +PJ061568 LLLEEEE C38H63N7O16 873.4332 NA PeJP NA NA +PJ061569 AALEERW C39H59N11O12 873.4345 NA PeJP NA NA +PJ061570 GNRRWW C40H55N15O8 873.4358 NA PeJP NA NA +PJ061571 GGGRRWW C40H55N15O8 873.4359 NA PeJP NA NA +PJ061572 PVDKEMR C36H63N11O12S 873.4379 NA PeJP NA NA +PJ061573 LLQEWW C44H59N9O10 873.4385 NA PeJP NA NA +PJ061574 QMHFRR C37H59N15O8S 873.4392 NA PeJP NA NA +PJ061575 EEERRR C33H59N15O13 873.4417 NA PeJP NA NA +PJ061576 APLKEMW C41H63N9O10S 873.4419 NA PeJP NA NA +PJ061577 VLFFYW C49H59N7O8 873.4425 NA PeJP NA NA +PJ061578 GPLFFFF C49H59N7O8 873.4426 NA PeJP NA NA +PJ061579 VLQKEEE C37H63N9O15 873.4444 NA PeJP NA NA +PJ061580 GPPTLKMM C38H67N9O10S2 873.4453 NA PeJP NA NA +PJ061581 VEERRW C38H59N13O11 873.4457 NA PeJP NA NA +PJ061582 GGAAKERW C38H59N13O11 873.4458 NA PeJP NA NA +PJ061583 GLLMFFF C46H63N7O8S 873.4459 NA PeJP NA NA +PJ061584 TTTLLYY C42H63N7O13 873.4484 NA PeJP NA NA +PJ061585 SPVEMRR C35H63N13O11S 873.4491 NA PeJP NA NA +PJ061586 VVERWW C43H59N11O9 873.4498 NA PeJP NA NA +PJ061587 CHFRRR C36H59N17O7S 873.4505 NA PeJP NA NA +PJ061588 GSNERRR C32H59N17O12 873.453 NA PeJP NA NA +PJ061589 APTLMRW C40H63N11O9S 873.4531 NA PeJP NA NA +PJ061590 ALLWWW C48H59N9O7 873.4538 NA PeJP NA NA +PJ061591 ALKEEER C36H63N11O14 873.4556 NA PeJP NA NA +PJ061592 GGGALDKKE C36H63N11O14 873.4557 NA PeJP NA NA +PJ061593 PVLQMMR C37H67N11O9S2 873.4565 NA PeJP NA NA +PJ061594 NDKRRW C37H59N15O10 873.457 NA PeJP NA NA +PJ061595 PTTLKEW C41H63N9O12 873.4596 NA PeJP NA NA +PJ061596 GLLKEEW C41H63N9O12 873.4597 NA PeJP NA NA +PJ061597 GVQQMRR C34H63N15O10S 873.4603 NA PeJP NA NA +PJ061598 GGGLQMRR C34H63N15O10S 873.4604 NA PeJP NA NA +PJ061599 AQKRWW C42H59N13O8 873.461 NA PeJP NA NA +PJ061600 PLKKEEM C38H67N9O12S 873.463 NA PeJP NA NA +PJ061601 GVLLFYY C46H63N7O10 873.4637 NA PeJP NA NA +PJ061602 GPCKKRW C39H63N13O8S 873.4644 NA PeJP NA NA +PJ061603 ATLEERR C35H63N13O13 873.4669 NA PeJP NA NA +PJ061604 APLMMRR C36H67N13O8S2 873.4677 NA PeJP NA NA +PJ061605 SNRRRW C36H59N17O9 873.4682 NA PeJP NA NA +PJ061606 GTLLERW C40H63N11O11 873.4709 NA PeJP NA NA +PJ061607 QQMRRR C33H63N17O9S 873.4716 NA PeJP NA NA +MJ096694 Ancorinoside D C43H71NO17 873.472199 NA MeJP NA NA +MJ096695 Tertiomycin B C43H71NO17 873.472199 NA MeJP NA NA +PJ061608 PTLKEMR C37H67N11O11S 873.4743 NA PeJP NA NA +PJ061609 LLKEWW C45H63N9O9 873.4749 NA PeJP NA NA +PJ061610 KMHFRR C38H63N15O7S 873.4756 NA PeJP NA NA +PJ061611 GTQKERR C34H63N15O12 873.4781 NA PeJP NA NA +PJ061612 SPLLKMW C42H67N9O9S 873.4783 NA PeJP NA NA +PJ061613 VLKKEEE C38H67N9O14 873.4808 NA PeJP NA NA +PJ061614 AAPLLKMM C39H71N9O9S2 873.4817 NA PeJP NA NA +PJ061615 QKKERW C39H63N13O10 873.4821 NA PeJP NA NA +PJ061616 CQRRRR C32H63N19O8S 873.4828 NA PeJP NA NA +PJ061617 GLLEMRR C36H67N13O10S 873.4855 NA PeJP NA NA +PJ061618 TLLRWW C44H63N11O8 873.4861 NA PeJP NA NA +PJ061619 GGLKKWW C44H63N11O8 873.4862 NA PeJP NA NA +PJ061620 GSDKRRR C33H63N17O11 873.4893 NA PeJP NA NA +PJ061621 GVLLMRW C41H67N11O8S 873.4895 NA PeJP NA NA +PJ061622 SLLKEER C37H67N11O13 873.492 NA PeJP NA NA +PJ061623 PVLKMMR C38H71N11O8S2 873.4929 NA PeJP NA NA +PJ061624 TQKRRW C38H63N15O9 873.4934 NA PeJP NA NA +PJ061625 SVLLKEW C42H67N9O11 873.496 NA PeJP NA NA +PJ061626 GGAAPLLLY C42H67N9O11 873.4961 NA PeJP NA NA +PJ061627 GVQKMRR C35H67N15O9S 873.4967 NA PeJP NA NA +PJ061628 AKKRWW C43H63N13O7 873.4974 NA PeJP NA NA +PJ061629 LLLQKEM C39H71N9O11S 873.4994 NA PeJP NA NA +PJ061630 GSSRRRR C32H63N19O10 873.5006 NA PeJP NA NA +PJ061631 LLMRRW C40H67N13O7S 873.5008 NA PeJP NA NA +PJ061632 VTTLERR C36H67N13O12 873.5032 NA PeJP NA NA +PJ061633 STLLERR C36H67N13O12 873.5033 NA PeJP NA NA +PJ061634 GVLHHRR C37H63N17O8 873.5046 NA PeJP NA NA +PJ061635 SSLLLRW C41H67N11O10 873.5073 NA PeJP NA NA +PJ061636 QKMRRR C34H67N17O8S 873.508 NA PeJP NA NA +5522 Protegrin 1 RGGRLCYCRRRFCVCVGR 873.51 MH2+ Inhouse_peptide NA peptide +PJ061637 TLLLQMR C38H71N11O10S 873.5106 NA PeJP NA NA +PJ061638 VVLKEMR C38H71N11O10S 873.5107 NA PeJP NA NA +PJ061639 APLLKFW C46H67N9O8 873.5113 NA PeJP NA NA +PJ061640 GTKKERR C35H67N15O11 873.5145 NA PeJP NA NA +PJ061641 ALLLKMW C43H71N9O8S 873.5147 NA PeJP NA NA +PJ061642 LHHRRR C36H63N19O7 873.5158 NA PeJP NA NA +PJ061643 GTTLLLKE C39H71N9O13 873.5172 NA PeJP NA NA +PJ061644 KKKERW C40H67N13O9 873.5185 NA PeJP NA NA +PJ061645 CKRRRR C33H67N19O7S 873.5192 NA PeJP NA NA +MJ096696 Acuminatum; Acuminatum C C44H71N7O11 873.521156 NA MeJP NA NA +PJ061646 SVLLMRR C37H71N13O9S 873.5219 NA PeJP NA NA +PJ061647 VKKKWW C45H67N11O7 873.5225 NA PeJP NA NA +PJ061648 GTTKRRR C34H67N17O10 873.5257 NA PeJP NA NA +PJ061649 GTTTLLLR C38H71N11O12 873.5284 NA PeJP NA NA +PJ061650 TKKRRW C39H67N15O8 873.5297 NA PeJP NA NA +PJ061651 PPVLHRR C39H67N15O8 873.5298 NA PeJP NA NA +PJ061652 TTLLLKW C43H71N9O10 873.5324 NA PeJP NA NA +PJ061653 GVKKMRR C36H71N15O8S 873.5331 NA PeJP NA NA +PJ061654 LLLKKEM C40H75N9O10S 873.5358 NA PeJP NA NA +PJ061655 SVKKKER C37H71N13O11 873.5396 NA PeJP NA NA +PJ061656 GGGATKKKK C37H71N13O11 873.5397 NA PeJP NA NA +PJ061657 ATLKKKW C42H71N11O9 873.5437 NA PeJP NA NA +PJ061658 KKMRRR C35H71N17O7S 873.5444 NA PeJP NA NA +PJ061659 TLLLKMR C39H75N11O9S 873.547 NA PeJP NA NA +PJ061660 SSLKKRR C36H71N15O10 873.5509 NA PeJP NA NA +PJ061661 SSTLLLLK C40H75N9O12 873.5535 NA PeJP NA NA +PJ061662 SSTILLLK C40H75N9O12 873.5536 NA PeJP NA NA +PJ061663 GLLLFRR C41H71N13O8 873.5549 NA PeJP NA NA +PJ061664 ALKKKMR C38H75N13O8S 873.5583 NA PeJP NA NA +PJ061665 TLKKKKE C39H75N11O11 873.5648 NA PeJP NA NA +PJ061666 PLLLKKY C44H75N9O9 873.5688 NA PeJP NA NA +PJ061667 TTLKKKR C38H75N13O10 873.576 NA PeJP NA NA +PJ061668 VVLLKFR C43H75N11O8 873.58 NA PeJP NA NA +PJ061669 PVKKKKF C43H75N11O8 873.5801 NA PeJP NA NA +PJ061670 VLKKKKM C40H79N11O8S 873.5834 NA PeJP NA NA +PJ061671 LLLLKKF C45H79N9O8 873.6052 NA PeJP NA NA +PJ061672 SKKKKKK C39H79N13O9 873.6124 NA PeJP NA NA +HMDB09707 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) C51H88NO8P 873.624756 NA HMDB2010 NA NA +HMDB09771 PE(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C51H88NO8P 873.624756 NA HMDB2010 NA NA +EUR988 PC 38:2 [M-H+acetate]- C46H88NO8P 873.645857 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR988 PC 38:2 [M-H+acetate]- C46H88NO8P 873.645857 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR988 PC 38:2 [M-H+acetate]- C46H88NO8P 873.645857 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR988 PC 38:2 [M-H+acetate]- C46H88NO8P 873.645857 masses lipides attendues Inhousejuil11 NA NA +EUR1123 SM(d18:1/24:1) [M-H+acetate]- C47H94N2O6P 873.706051 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1123 SM(d18:1/24:1) [M-H+acetate]- C47H94N2O6P 873.706051 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1123 SM(d18:1/24:1) [M-H+acetate]- C47H94N2O6P 873.706051 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1123 SM(d18:1/24:1) [M-H+acetate]- C47H94N2O6P 873.706051 masses lipides attendues Inhousejuil11 NA NA +HMDB08058 PC(18:0/24:0) C50H100NO8P 873.718628 NA HMDB2010 NA NA +HMDB08282 PC(20:0/22:0) C50H100NO8P 873.718628 NA HMDB2010 NA NA +HMDB08537 PC(22:0/20:0) C50H100NO8P 873.718628 NA HMDB2010 NA NA +HMDB08760 PC(24:0/18:0) C50H100NO8P 873.718628 NA HMDB2010 NA NA +MJ096697 2-Amino-16-methyl-1,3,4-octadecanetriol, N-(2R-Hydroxypentacosanoyl), 1-O-?-D-galactopyranoside C50H99NO10 873.726898 NA MeJP NA NA +FL1DA9GS0001 Thonningianin A C42H34O21 874.15925 271579-11-4 knapsack NA NA +MJ096698 Thonningianin B; 3''-O-(3,4,5-Trihydroxybenzoyl) C42H34O21 874.159258 NA MeJP NA NA +PJ061673 TCCCCCCH C28H46N10O10S6 874.1723 NA PeJP NA NA +PJ061674 SCCCDDDD C28H42N8O18S3 874.178 NA PeJP NA NA +PJ061675 PCCCCCDE C29H46N8O13S5 874.1788 NA PeJP NA NA +FL5FACGS0109 Quercetin 3-(2''-caffeoylglucoside)-(1->2)-(6''-malonylglucoside);3-[[6-O-(Carboxyacetyl)-2-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C39H38O23 874.18038 219745-03-6 knapsack NA NA +MJ096699 Isoquercitrin; 6''-O-Malonyl, 2''-[3,4-dihydroxycinnamoyl-(?2)-?-D-glucopyranosyl] C39H38O23 874.180387 NA MeJP NA NA +MJ096700 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) C39H39O23(+) 874.180387 NA MeJP NA NA +PJ061676 GCCCDDEM C29H46N8O15S4 874.1966 NA PeJP NA NA +MJ096701 Ternatin C5 C36H43O25(+) 874.201516 NA MeJP NA NA +PJ061677 GCCCCCHF C32H46N10O9S5 874.2053 NA PeJP NA NA +PJ061678 SCCCCNNE C28H46N10O14S4 874.2078 NA PeJP NA NA +MJ096702 3,3',4',5,7-Pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan-4-acetic acid, 3C,3'C,3''C-Trideoxy C47H38O17 874.210899 NA MeJP NA NA +PJ061679 CCCDDMW C33H46N8O12S4 874.2118 NA PeJP NA NA +PJ061680 SSCCDDDM C29H46N8O17S3 874.2143 NA PeJP NA NA +PJ061681 SPCCCCEM C30H50N8O12S5 874.2152 NA PeJP NA NA +PJ061682 GSCCCCNW C32H46N10O11S4 874.2231 NA PeJP NA NA +PJ061683 GSSSCCCND C28H46N10O16S3 874.2256 NA PeJP NA NA +PJ061684 GCCCNNMM C29H50N10O11S5 874.2264 NA PeJP NA NA +PJ061685 GGGCCCNMM C29H50N10O11S5 874.2265 NA PeJP NA NA +MJ096703 Betanidin; 6-O-[?-D-Glucopyranosyl-(1?2)-[3,4-dihydroxycinnamoyl-(?6)]-?-D-glucopyranoside] C39H42N2O21 874.228006 NA MeJP NA NA +PJ061686 GPCCCDDY C33H46N8O14S3 874.2296 NA PeJP NA NA +PJ061687 PPCCCCCF C34H50N8O9S5 874.2305 NA PeJP NA NA +PJ061688 GSCCDEMM C30H50N8O14S4 874.233 NA PeJP NA NA +PJ061689 GPCCCMMM C31H54N8O9S6 874.2338 NA PeJP NA NA +PJ061690 GCCCCCQR C28H50N12O10S5 874.2377 NA PeJP NA NA +FL5FACGS0085 Helieianeoside C;Quercetin 3-xylosyl-(1->4)-[xylosyl-(1->6)-glucosyl-(1->2)-rhamnoside];2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-xylopyranosyl-(1->4)]-6-deoxy-alpha-L-mannopyranosyl)oxy]-4H-1-benzopyran-4-one C37H46O24 874.2379 496066-90-1 knapsack NA NA +FL5FACGS0086 Quercetin 3-xylosyl-(1->3)-rhanosyl-(1->6)-[apiosyl-(1->2)-galactoside];2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[O-beta-D-xylopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-O-[D-apio-beta-D-furanosyl-(1->2)]-beta-D-galactopyranosyl]oxy]-4H-1-benzopyran-4-one C37H46O24 874.2379 416846-52-1 knapsack NA NA +PJ061691 GCCCNNDF C32H46N10O13S3 874.2408 NA PeJP NA NA +PJ061692 GGGGGCCCDF C32H46N10O13S3 874.2409 NA PeJP NA NA +PJ061693 SSCCCNQM C29H50N10O13S4 874.2442 NA PeJP NA NA +PJ061694 CCNDEEY C33H46N8O16S2 874.2473 NA PeJP NA NA +PJ061695 CNDDDMY C33H46N8O16S2 874.2474 NA PeJP NA NA +PJ061696 SCCDMMW C34H50N8O11S4 874.2482 NA PeJP NA NA +PJ061697 SSSCDDMM C30H50N8O16S3 874.2507 NA PeJP NA NA +PJ061698 CNDMMMM C31H54N8O11S5 874.2516 NA PeJP NA NA +PJ061699 GSCCCEHH C31H46N12O12S3 874.2521 NA PeJP NA NA +MJ096704 5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-[2,3,4-Tri-O-acetyl-?-L-rhamnopyranosyl-(1?6)-2,3,4-tri-O-acetyl-?-D-glucopyranoside] C41H46O21 874.253158 NA MeJP NA NA +PJ061700 SSCCCCNR C28H50N12O12S4 874.2554 NA PeJP NA NA +PJ061701 GSDDDDDH C31H42N10O20 874.2577 NA PeJP NA NA +PJ061702 GSCCNNDY C32H46N10O15S2 874.2586 NA PeJP NA NA +PJ061703 GSSSSCCNM C29H50N10O15S3 874.262 NA PeJP NA NA +PJ061704 GCCDEYW C37H46N8O13S2 874.2626 NA PeJP NA NA +PJ061705 CCCEMMR C30H54N10O10S5 874.2628 NA PeJP NA NA +PJ061706 GSSCDDEY C33H46N8O18S 874.2651 NA PeJP NA NA +PJ061707 GSPCCDMY C34H50N8O13S3 874.266 NA PeJP NA NA +PJ061708 ACCMMMW C35H54N8O8S5 874.2668 NA PeJP NA NA +PJ061709 VCCCMMW C35H54N8O8S5 874.2669 NA PeJP NA NA +PJ061710 SCCCHHW C35H46N12O9S3 874.2673 NA PeJP NA NA +PJ061711 GSSCEMMM C31H54N8O13S4 874.2694 NA PeJP NA NA +PJ061712 SSSCCDHH C31H46N12O14S2 874.2698 NA PeJP NA NA +PJ061713 CCNMMHH C32H50N12O9S4 874.2707 NA PeJP NA NA +PJ061714 PCCDDHW C36H46N10O12S2 874.2739 NA PeJP NA NA +PJ061715 GCCCCCKR C29H54N12O9S5 874.2741 NA PeJP NA NA +PJ061716 DDDDQMH C32H46N10O17S 874.2763 NA PeJP NA NA +PJ061717 NDDDEMH C32H46N10O17S 874.2764 NA PeJP NA NA +PJ061718 CCNNQMY C33H50N10O12S3 874.2772 NA PeJP NA NA +PJ061719 CCDYWW C41H46N8O10S2 874.2779 NA PeJP NA NA +PJ061720 SSSSSSCCQ C29H50N10O17S2 874.2797 NA PeJP NA NA +PJ061721 SSCDDYW C37H46N8O15S 874.2804 NA PeJP NA NA +PJ061722 SSCCCNKM C30H54N10O12S4 874.2806 NA PeJP NA NA +PJ061723 GCCNNNNH C30H46N14O13S2 874.2811 NA PeJP NA NA +PJ061724 PTCCCYW C38H50N8O10S3 874.2812 NA PeJP NA NA +PJ061725 SSSSDDDY C33H46N8O20 874.2829 NA PeJP NA NA +PJ061726 SNDDMMY C34H50N8O15S2 874.2837 NA PeJP NA NA +PJ061727 PPPCCDDE C34H50N8O15S2 874.2838 NA PeJP NA NA +PJ061728 SSCMMMW C35H54N8O10S4 874.2846 NA PeJP NA NA +PJ061729 CCNDHHF C35H46N12O11S2 874.2851 NA PeJP NA NA +PJ061730 SSSSDMMM C31H54N8O15S3 874.2871 NA PeJP NA NA +PJ061731 CDDDDHR C31H46N12O16S 874.2876 NA PeJP NA NA +PJ061732 SNMMMMM C32H58N8O10S5 874.288 NA PeJP NA NA +PJ061733 CCCNNRY C32H50N12O11S3 874.2884 NA PeJP NA NA +PJ061734 GGCCCNRY C32H50N12O11S3 874.2885 NA PeJP NA NA +PJ061735 GDDDMHW C36H46N10O14S 874.2916 NA PeJP NA NA +PJ061736 GSSDDEEH C32H46N10O19 874.2941 NA PeJP NA NA +PJ061737 SCCDERY C33H50N10O14S2 874.295 NA PeJP NA NA +PJ061738 PCCCMRY C34H54N10O9S4 874.2958 NA PeJP NA NA +PJ061739 GPPCCMMH C34H54N10O9S4 874.2959 NA PeJP NA NA +PJ061740 CCMFWW C42H50N8O7S3 874.2965 NA PeJP NA NA +PJ061741 GSSSSSSSSC C29H50N10O19S 874.2975 NA PeJP NA NA +PJ061742 GNDDEYY C37H46N8O17 874.2981 NA PeJP NA NA +PJ061743 GSSSTCCCK C30H54N10O14S3 874.2983 NA PeJP NA NA +PJ061744 GSCEMYW C38H50N8O12S2 874.299 NA PeJP NA NA +PJ061745 TCCMMMR C31H58N10O9S5 874.2992 NA PeJP NA NA +PJ061746 GSSSDEMY C34H50N8O17S 874.3015 NA PeJP NA NA +PJ061747 GNEMMMY C35H54N8O12S3 874.3024 NA PeJP NA NA +PJ061748 SCNNDHW C35H46N12O13S 874.3028 NA PeJP NA NA +PJ061749 GGGGSCDHW C35H46N12O13S 874.3029 NA PeJP NA NA +PJ061750 SSSNNDDH C31H46N12O18 874.3053 NA PeJP NA NA +PJ061751 GGGGSSSDDH C31H46N12O18 874.3054 NA PeJP NA NA +PJ061752 GSSTMMMM C32H58N8O12S4 874.3057 NA PeJP NA NA +PJ061753 SSSSCMHH C32H50N12O13S2 874.3062 NA PeJP NA NA +PJ061754 CDEHWW C40H46N10O11S 874.3069 NA PeJP NA NA +PJ061755 SSDDEHW C36H46N10O16 874.3094 NA PeJP NA NA +PJ061756 SPCDMHW C37H50N10O11S2 874.3102 NA PeJP NA NA +PJ061757 GGGGGACCFF C37H50N10O11S2 874.3103 NA PeJP NA NA +MJ096705 Syringaresinol, 4-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside C39H54O22 874.310673 NA MeJP NA NA +PJ061758 SSSSCNQY C33H50N10O16S 874.3127 NA PeJP NA NA +PJ061759 GGGGSPPCDE C33H50N10O16S 874.3128 NA PeJP NA NA +PJ061760 NDDYYW C41H46N8O14 874.3134 NA PeJP NA NA +PJ061761 GCDMMRY C34H54N10O11S3 874.3136 NA PeJP NA NA +PJ061762 SCMYWW C42H50N8O9S2 874.3142 NA PeJP NA NA +PJ061763 GPCCFYW C42H50N8O9S2 874.3143 NA PeJP NA NA +PJ061764 SSSSSSCCK C30H54N10O16S2 874.3161 NA PeJP NA NA +PJ061765 GNNNNNND C30H46N14O17 874.3166 NA PeJP NA NA +PJ061766 SSSDMYW C38H50N8O14S 874.3167 NA PeJP NA NA +PJ061767 PPDDDMW C38H50N8O14S 874.3168 NA PeJP NA NA +PJ061768 STCCCCKK C31H58N10O11S4 874.317 NA PeJP NA NA +PJ061769 CCNNEHR C31H50N14O12S2 874.3174 NA PeJP NA NA +PJ061770 GGCCNEHR C31H50N14O12S2 874.3175 NA PeJP NA NA +PJ061771 NMMMYW C39H54N8O9S3 874.3176 NA PeJP NA NA +PJ061772 SSSSSEEY C34H50N8O19 874.3192 NA PeJP NA NA +PJ061773 PNEEEEE C34H50N8O19 874.3193 NA PeJP NA NA +PJ061774 SSQEMMY C35H54N8O14S2 874.3201 NA PeJP NA NA +PJ061775 NNNDDHF C35H46N12O15 874.3206 NA PeJP NA NA +PJ061776 TCYYYY C43H50N6O12S 874.3208 NA PeJP NA NA +PJ061777 PCCKMMY C36H58N8O9S4 874.321 NA PeJP NA NA +PJ061778 GCNQMHW C36H50N12O10S2 874.3215 NA PeJP NA NA +PJ061779 SSSTTMMM C32H58N8O14S3 874.3235 NA PeJP NA NA +PJ061780 SDDDMHR C32H50N12O15S 874.324 NA PeJP NA NA +PJ061781 TCKMMMM C33H62N8O9S5 874.3244 NA PeJP NA NA +PJ061782 PCCEMHR C33H54N12O10S3 874.3248 NA PeJP NA NA +PJ061783 GGAPCCCKH C33H54N12O10S3 874.3249 NA PeJP NA NA +PJ061784 CNNNHHH C33H46N16O11S 874.3253 NA PeJP NA NA +MJ096706 Bussein L C43H54O19 874.325929 NA MeJP NA NA +PJ061785 GSEEMHW C37H50N10O13S 874.328 NA PeJP NA NA +PJ061786 APCMMHW C38H54N10O8S3 874.3289 NA PeJP NA NA +PJ061787 GSSSSSSNY C33H50N10O18 874.3305 NA PeJP NA NA +PJ061788 SSCEMRY C34H54N10O13S2 874.3314 NA PeJP NA NA +PJ061789 SNDEHHH C34H46N14O14 874.3318 NA PeJP NA NA +PJ061790 GSPCYYW C42H50N8O11S 874.332 NA PeJP NA NA +PJ061791 GCMMMFR C35H58N10O8S4 874.3322 NA PeJP NA NA +PJ061792 GCCNHRW C35H50N14O9S2 874.3327 NA PeJP NA NA +PJ061793 GPEEEEW C38H50N8O16 874.3345 NA PeJP NA NA +PJ061794 GSSCNDHR C31H50N14O14S 874.3352 NA PeJP NA NA +PJ061795 GSTMMYW C39H54N8O11S2 874.3354 NA PeJP NA NA +PJ061796 GSSTTEMY C35H54N8O16S 874.3379 NA PeJP NA NA +PJ061797 ATQMMMY C36H58N8O11S3 874.3387 NA PeJP NA NA +PJ061798 GDKMMMY C36H58N8O11S3 874.3388 NA PeJP NA NA +PJ061799 SSNNMHW C36H50N12O12S 874.3392 NA PeJP NA NA +PJ061800 GGGGGGGAPCW C36H50N12O12S 874.3393 NA PeJP NA NA +PJ061801 GSPNDDDR C32H50N12O17 874.3417 NA PeJP NA NA +PJ061802 GGGGGGGAQEE C32H50N12O17 874.3418 NA PeJP NA NA +PJ061803 GDEMMHR C33H54N12O12S2 874.3426 NA PeJP NA NA +PJ061804 SEMHWW C41H50N10O10S 874.3432 NA PeJP NA NA +PJ061805 SSTEEHW C37H50N10O15 874.3457 NA PeJP NA NA +PJ061806 GGSPNEEW C37H50N10O15 874.3458 NA PeJP NA NA +PJ061807 AAEMMHW C38H54N10O10S2 874.3466 NA PeJP NA NA +PJ061808 GSDHHHW C38H46N14O11 874.3471 NA PeJP NA NA +PJ061809 ACFYWW C46H50N8O8S 874.3473 NA PeJP NA NA +PJ061810 SSSSCNKY C34H54N10O15S 874.3491 NA PeJP NA NA +PJ061811 PEEEWW C42H50N8O13 874.3498 NA PeJP NA NA +PJ061812 GSMMMRY C35H58N10O10S3 874.35 NA PeJP NA NA +PJ061813 GQEMHHH C35H50N14O11S 874.3505 NA PeJP NA NA +MJ096707 Pusilatin B; 11,11''-Di-Me ether C58H50O8 874.350568 NA MeJP NA NA +PJ061814 NMMFFW C43H54N8O8S2 874.3506 NA PeJP NA NA +PJ061815 GSNNNNQQ C31H50N14O16 874.3529 NA PeJP NA NA +PJ061816 NNNNDER C31H50N14O16 874.353 NA PeJP NA NA +PJ061817 SSTTMYW C39H54N8O13S 874.3531 NA PeJP NA NA +PJ061818 GPPPDDMF C39H54N8O13S 874.3532 NA PeJP NA NA +PJ061819 GFYYYY C47H50N6O11 874.3538 NA PeJP NA NA +PJ061820 PCCKMFF C40H58N8O8S3 874.354 NA PeJP NA NA +PJ061821 GCQHHFF C40H50N12O9S 874.3545 NA PeJP NA NA +PJ061822 SSSTTTEY C35H54N8O18 874.3556 NA PeJP NA NA +PJ061823 GSPVEEEE C35H54N8O18 874.3557 NA PeJP NA NA +PJ061824 SSKEMMY C36H58N8O13S2 874.3565 NA PeJP NA NA +PJ061825 GSSSSQHW C36H50N12O14 874.357 NA PeJP NA NA +PJ061826 GKMMMMF C37H62N8O8S4 874.3574 NA PeJP NA NA +PJ061827 ACCQKHW C37H54N12O9S2 874.3578 NA PeJP NA NA +PJ061828 DMMHRW C37H54N12O9S2 874.3579 NA PeJP NA NA +PJ061829 PCHFWW C45H50N10O7S 874.3585 NA PeJP NA NA +PJ061830 PCDQQER C33H54N12O14S 874.3603 NA PeJP NA NA +PJ061831 SSEEMHR C33H54N12O14S 874.3604 NA PeJP NA NA +MJ096708 Pacidamycin 1 C41H50N10O12 874.360967 NA MeJP NA NA +PJ061832 GSPNEWW C41H50N10O12 874.361 NA PeJP NA NA +PJ061833 PTCMMHR C34H58N12O9S3 874.3612 NA PeJP NA NA +PJ061834 GCEHHHR C34H50N16O10S 874.3617 NA PeJP NA NA +PJ061835 CLMHWW C42H54N10O7S2 874.3619 NA PeJP NA NA +PJ061836 ATTEMHW C38H54N10O12S 874.3644 NA PeJP NA NA +PJ061837 GTYYWW C46H50N8O10 874.365 NA PeJP NA NA +PJ061838 SCCNHRR C31H54N16O10S2 874.3651 NA PeJP NA NA +PJ061839 QMHHHW C39H50N14O8S 874.3657 NA PeJP NA NA +PJ061840 SPEEEER C34H54N10O17 874.3669 NA PeJP NA NA +PJ061841 SSTMMRY C35H58N10O12S2 874.3677 NA PeJP NA NA +PJ061842 PPDEMMR C35H58N10O12S2 874.3678 NA PeJP NA NA +PJ061843 GNNNDRW C35H50N14O13 874.3682 NA PeJP NA NA +PJ061844 VNMYYW C43H54N8O10S 874.3684 NA PeJP NA NA +PJ061845 GNHHHHH C36H46N18O9 874.3696 NA PeJP NA NA +PJ061846 SPVEEEW C39H54N8O15 874.3709 NA PeJP NA NA +PJ061847 PCNDDRR C32H54N14O13S 874.3716 NA PeJP NA NA +PJ061848 PPVDMMW C40H58N8O10S2 874.3718 NA PeJP NA NA +PJ061849 NNQQWW C40H50N12O11 874.3722 NA PeJP NA NA +PJ061850 GGGGGAQWW C40H50N12O11 874.3723 NA PeJP NA NA +PJ061851 SSSSTLMY C36H58N8O15S 874.3743 NA PeJP NA NA +PJ061852 ATKMMMY C37H62N8O10S3 874.3751 NA PeJP NA NA +PJ061853 GPNDMRW C37H54N12O11S 874.3756 NA PeJP NA NA +PJ061854 SPNWWW C45H50N10O9 874.3763 NA PeJP NA NA +PJ061855 CHHHRW C38H50N16O7S 874.377 NA PeJP NA NA +PJ061856 GQQEEER C33H54N12O16 874.3781 NA PeJP NA NA +PJ061857 ATEMMHR C34H58N12O11S2 874.379 NA PeJP NA NA +PJ061858 SSDHHHR C34H50N16O12 874.3794 NA PeJP NA NA +PJ061859 PQQMWW C42H54N10O9S 874.3796 NA PeJP NA NA +PJ061860 TTTTEHW C38H54N10O14 874.3821 NA PeJP NA NA +PJ061861 GGGGALEEW C38H54N10O14 874.3822 NA PeJP NA NA +PJ061862 GTLMMHW C39H58N10O9S2 874.383 NA PeJP NA NA +PJ061863 GTTHHHW C39H50N14O10 874.3835 NA PeJP NA NA +PJ061864 MHFFFF C47H54N8O7S 874.3837 NA PeJP NA NA +PJ061865 PVDEEMR C35H58N10O14S 874.3855 NA PeJP NA NA +PJ061866 SKEYYW C43H54N8O12 874.3861 NA PeJP NA NA +PJ061867 PPPTDYW C43H54N8O12 874.3862 NA PeJP NA NA +PJ061868 CCCKKKY C36H62N10O9S3 874.3864 NA PeJP NA NA +PJ061869 GNNMHFR C36H54N14O10S 874.3868 NA PeJP NA NA +PJ061870 GGGNMHFR C36H54N14O10S 874.3869 NA PeJP NA NA +PJ061871 ANDDERR C32H54N14O15 874.3893 NA PeJP NA NA +PJ061872 GNDEERR C32H54N14O15 874.3894 NA PeJP NA NA +PJ061873 APLEEMW C40H58N8O12S 874.3895 NA PeJP NA NA +PJ061874 GSPPCCRR C33H58N14O10S2 874.3902 NA PeJP NA NA +PJ061875 PCQRWW C41H54N12O8S 874.3909 NA PeJP NA NA +PJ061876 STTTTTTY C36H58N8O17 874.392 NA PeJP NA NA +PJ061877 TTTKMMY C37H62N8O12S2 874.3929 NA PeJP NA NA +PJ061878 VTNNNQW C37H54N12O13 874.3933 NA PeJP NA NA +PJ061879 QQEERW C37H54N12O13 874.3934 NA PeJP NA NA +PJ061880 ACCKKHW C38H58N12O8S2 874.3942 NA PeJP NA NA +PJ061881 PPNHHHH C38H50N16O9 874.3947 NA PeJP NA NA +PJ061882 TTTEMHR C34H58N12O13S 874.3967 NA PeJP NA NA +PJ061883 GGGAPTEMR C34H58N12O13S 874.3968 NA PeJP NA NA +PJ061884 VQQEWW C42H54N10O11 874.3974 NA PeJP NA NA +PJ061885 GLMMMHR C35H62N12O8S3 874.3976 NA PeJP NA NA +PJ061886 GTMHHHR C35H54N16O9S 874.3981 NA PeJP NA NA +PJ061887 SNNNDRR C31H54N16O14 874.4006 NA PeJP NA NA +PJ061888 STTLMHW C39H58N10O11S 874.4007 NA PeJP NA NA +PJ061889 VTTTMHW C39H58N10O11S 874.4008 NA PeJP NA NA +PJ061890 VNFFYW C47H54N8O9 874.4014 NA PeJP NA NA +MJ096709 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-(6-Deoxy-2-O-sulfo-?-D-glucopyranoside), 27-O-?-D-glucopyranosyl ester C42H66O17S 874.402071 NA MeJP NA NA +MJ096710 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-(6-Deoxy-2-O-sulfo-?-D-glucopyranoside), 28-O-?-D-glucopyranosyl ester C42H66O17S 874.402071 NA MeJP NA NA +PJ061891 KMHHHW C40H54N14O7S 874.4021 NA PeJP NA NA +PJ061892 SSSPLQQE C35H58N10O16 874.4032 NA PeJP NA NA +PJ061893 ALEEEER C35H58N10O16 874.4033 NA PeJP NA NA +PJ061894 SLKEMMH C36H62N10O11S2 874.4041 NA PeJP NA NA +PJ061895 GGGGGPVLMM C36H62N10O11S2 874.4042 NA PeJP NA NA +PJ061896 NDERRW C36H54N14O12 874.4046 NA PeJP NA NA +PJ061897 CLKYYW C44H58N8O9S 874.4048 NA PeJP NA NA +PJ061898 GLLEEEW C40H58N8O14 874.4073 NA PeJP NA NA +PJ061899 SPNDMRR C33H58N14O12S 874.408 NA PeJP NA NA +PJ061900 PPTLMMW C41H62N8O9S2 874.4081 NA PeJP NA NA +PJ061901 GVKMMFY C41H62N8O9S2 874.4082 NA PeJP NA NA +PJ061902 AQERWW C41H54N12O10 874.4086 NA PeJP NA NA +PJ061903 PLKEEEM C37H62N8O14S 874.4107 NA PeJP NA NA +PJ061904 GPPVLMMM C38H66N8O9S3 874.4115 NA PeJP NA NA +PJ061905 GPTQMRW C38H58N12O10S 874.412 NA PeJP NA NA +PJ061906 GLQWWW C46H54N10O8 874.4126 NA PeJP NA NA +PJ061907 GGALWWW C46H54N10O8 874.4127 NA PeJP NA NA +PJ061908 GQKEEER C34H58N12O15 874.4145 NA PeJP NA NA +PJ061909 STLMMHR C35H62N12O10S2 874.4154 NA PeJP NA NA +PJ061910 STTHHHR C35H54N16O11 874.4158 NA PeJP NA NA +PJ061911 GGGGPTHHR C35H54N16O11 874.4159 NA PeJP NA NA +PJ061912 PQKMWW C43H58N10O8S 874.416 NA PeJP NA NA +PJ061913 GVQKEEW C39H58N10O13 874.4185 NA PeJP NA NA +PJ061914 GNNQMRR C32H58N16O11S 874.4192 NA PeJP NA NA +PJ061915 KMMFRY C40H62N10O8S2 874.4194 NA PeJP NA NA +MJ096711 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] C42H66O19 874.419829 NA MeJP NA NA +MJ096712 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-D-galactopyranoside] C42H66O19 874.419829 NA MeJP NA NA +MJ096713 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] C42H66O19 874.419829 NA MeJP NA NA +MJ096714 3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-D-ribo-hexopyranoside] C42H66O19 874.419829 NA MeJP NA NA +PJ061916 GDRRWW C40H54N14O9 874.4199 NA PeJP NA NA +PJ061917 PTLEEMR C36H62N10O13S 874.4219 NA PeJP NA NA +PJ061918 LLEEWW C44H58N8O11 874.4225 NA PeJP NA NA +PJ061919 GPPPVDFF C44H58N8O11 874.4226 NA PeJP NA NA +PJ061920 PPLMMMR C37H66N10O8S3 874.4228 NA PeJP NA NA +PJ061921 GPTCRRW C37H58N14O9S 874.4232 NA PeJP NA NA +PJ061922 AARWWW C45H54N12O7 874.4239 NA PeJP NA NA +MJ096715 Izumenolide C40H74O14S3 874.424069 NA MeJP NA NA +PJ061923 GTQEERR C33H58N14O14 874.4257 NA PeJP NA NA +PJ061924 GGGGGGTKER C33H58N14O14 874.4258 NA PeJP NA NA +PJ061925 SPLLEMW C41H62N8O11S 874.4259 NA PeJP NA NA +PJ061926 GPQMMRR C34H62N14O9S2 874.4266 NA PeJP NA NA +PJ061927 PCKRWW C42H58N12O7S 874.4273 NA PeJP NA NA +PJ061928 VLKEEEE C37H62N8O16 874.4284 NA PeJP NA NA +PJ061929 AAPLLEMM C38H66N8O11S2 874.4293 NA PeJP NA NA +PJ061930 ASVQERW C38H58N12O12 874.4297 NA PeJP NA NA +PJ061931 QKEERW C38H58N12O12 874.4298 NA PeJP NA NA +PJ061932 GCNNRRR C31H58N18O10S 874.4304 NA PeJP NA NA +PJ061933 GGGCNRRR C31H58N18O10S 874.4305 NA PeJP NA NA +PJ061934 AAHHHFR C39H54N16O8 874.4311 NA PeJP NA NA +7429 coeliac toxic peptide QQPPFSQQQQPVLPQ 874.433 MH2+ Inhouse_peptide NA peptide +PJ061935 SPQKEMR C35H62N12O12S 874.4331 NA PeJP NA NA +PJ061936 GGGGGGAALKM C35H62N12O12S 874.4332 NA PeJP NA NA +PJ061937 VQKEWW C43H58N10O10 874.4338 NA PeJP NA NA +PJ061938 GSDERRR C32H58N16O13 874.437 NA PeJP NA NA +PJ061939 APDKKMW C40H62N10O10S 874.4371 NA PeJP NA NA +PJ061940 GPKKEMW C40H62N10O10S 874.4372 NA PeJP NA NA +PJ061941 TKFFFW C48H58N8O8 874.4378 NA PeJP NA NA +PJ061942 SLLEEER C36H62N10O15 874.4396 NA PeJP NA NA +PJ061943 TLLDEER C36H62N10O15 874.4397 NA PeJP NA NA +PJ061944 PVLEMMR C37H66N10O10S2 874.4405 NA PeJP NA NA +PJ061945 TQERRW C37H58N14O11 874.441 NA PeJP NA NA +3219 calpain inhibitor TIPPEYR 874.441 celiac toxic Inhouse_peptide NA peptide +PJ061946 PPVVMFW C45H62N8O8S 874.4412 NA PeJP NA NA +PJ061947 SVLLEEW C41H62N8O13 874.4437 NA PeJP NA NA +PJ061948 ANQQKMR C34H62N14O11S 874.4443 NA PeJP NA NA +PJ061949 GVQEMRR C34H62N14O11S 874.4444 NA PeJP NA NA +PJ061950 PVVLMMW C42H66N8O8S2 874.4445 NA PeJP NA NA +PJ061951 AKERWW C42H58N12O9 874.445 NA PeJP NA NA +PJ061952 LLLQEEM C38H66N8O13S 874.447 NA PeJP NA NA +PJ061953 GALLLEEM C38H66N8O13S 874.4471 NA PeJP NA NA +PJ061954 GPTKMRW C39H62N12O9S 874.4484 NA PeJP NA NA +PJ061955 GLKWWW C47H58N10O7 874.449 NA PeJP NA NA +MJ096716 Mycinamycin XI; 14-Deoxy C42H70N2O15S 874.44969 NA MeJP NA NA +PJ061956 GKKEEER C35H62N12O14 874.4509 NA PeJP NA NA +PJ061957 PVNKMMR C36H66N12O9S2 874.4518 NA PeJP NA NA +PJ061958 SDRRRW C36H58N16O10 874.4522 NA PeJP NA NA +PJ061959 PKKMWW C44H62N10O7S 874.4524 NA PeJP NA NA +PJ061960 GVKKEEW C40H62N10O12 874.4549 NA PeJP NA NA +PJ061961 QEMRRR C33H62N16O10S 874.4556 NA PeJP NA NA +PJ061962 ATRRWW C41H58N14O8 874.4562 NA PeJP NA NA +MJ096717 8(14),15-Pimaradiene-3,12-diol, 3-O-[?-D-Fucopyranosyl-(1?3)-?-D-fucopyranosyl-(1?2)-?-L-arabinofuranoside], 12-O-?-D-fucopyranoside C43H70O18 874.456215 NA MeJP NA NA +PJ061963 GGPFRRW C41H58N14O8 874.4563 NA PeJP NA NA +PJ061964 VVLEEMR C37H66N10O12S 874.4583 NA PeJP NA NA +PJ061965 SPPLLYW C45H62N8O10 874.4589 NA PeJP NA NA +PJ061966 VQMRRW C38H62N14O8S 874.4596 NA PeJP NA NA +PJ061967 GTKEERR C34H62N14O13 874.4621 NA PeJP NA NA +PJ061968 ALLLEMW C42H66N8O10S 874.4623 NA PeJP NA NA +PJ061969 GPKMMRR C35H66N14O8S2 874.463 NA PeJP NA NA +PJ061970 AAQHHRR C35H58N18O9 874.4635 NA PeJP NA NA +PJ061971 GTTLLLEE C38H66N8O15 874.4648 NA PeJP NA NA +PJ061972 GPTLLLMM C39H70N8O10S2 874.4657 NA PeJP NA NA +PJ061973 KKEERW C39H62N12O11 874.4661 NA PeJP NA NA +PJ061974 GGGDKKKW C39H62N12O11 874.4662 NA PeJP NA NA +PJ061975 CERRRR C32H62N18O9S 874.4668 NA PeJP NA NA +PJ061976 SPKKEMR C36H66N12O11S 874.4695 NA PeJP NA NA +PJ061977 VKKEWW C44H62N10O9 874.4702 NA PeJP NA NA +PJ061978 AMRRRW C37H62N16O7S 874.4709 NA PeJP NA NA +MJ096718 Avermectin B1b; 22,23-Dihydro, 23S-hydroxy, 5-ketone C47H70O15 874.471471 NA MeJP NA NA +MJ096719 Pectenotoxin 1 C47H70O15 874.471471 NA MeJP NA NA +PJ061979 SSNQKRR C33H62N16O12 874.4733 NA PeJP NA NA +PJ061980 GTTERRR C33H62N16O12 874.4734 NA PeJP NA NA +PJ061981 SPVKKMW C41H66N10O9S 874.4735 NA PeJP NA NA +PJ061982 NHHRRR C34H58N20O8 874.4747 NA PeJP NA NA +PJ061983 VDKKKEE C37H66N10O14 874.476 NA PeJP NA NA +PJ061984 PLQKKMM C38H70N10O9S2 874.4769 NA PeJP NA NA +PJ061985 TKERRW C38H62N14O10 874.4774 NA PeJP NA NA +MJ096720 N-Deacyltunicamycin; N4''-(16-Methylheptadecanoyl) C41H70N4O16 874.478682 NA MeJP NA NA +PJ061986 TTLLLEW C42H66N8O12 874.48 NA PeJP NA NA +PJ061987 GAPLLLEY C42H66N8O12 874.4801 NA PeJP NA NA +PJ061988 AVDKMRR C35H66N14O10S 874.4807 NA PeJP NA NA +PJ061989 GVKEMRR C35H66N14O10S 874.4808 NA PeJP NA NA +PJ061990 SLKRWW C43H62N12O8 874.4814 NA PeJP NA NA +PJ061991 LLLKEEM C39H70N8O12S 874.4834 NA PeJP NA NA +PJ061992 AALKMRW C40H66N12O8S 874.4848 NA PeJP NA NA +PJ061993 SVKKEER C36H66N12O13 874.4873 NA PeJP NA NA +PJ061994 PCLKKMR C37H70N12O8S2 874.4881 NA PeJP NA NA +PJ061995 TTRRRW C37H62N16O9 874.4886 NA PeJP NA NA +PJ061996 ATLKKEW C41H66N10O11 874.4913 NA PeJP NA NA +PJ061997 KEMRRR C34H66N16O9S 874.492 NA PeJP NA NA +MJ096721 Lankamycin; 15-Ac C44H74O17 874.4926 NA MeJP NA NA +PJ061998 LHFFRR C42H62N14O7 874.4926 NA PeJP NA NA +PJ061999 TLLLEMR C38H70N10O11S 874.4947 NA PeJP NA NA +MJ096722 Mozamide B C46H66N8O9 874.495275 NA MeJP NA NA +PJ062000 APLLLYW C46H66N8O9 874.4953 NA PeJP NA NA +PJ062001 VKMRRW C39H66N14O7S 874.496 NA PeJP NA NA +PJ062002 SSLKERR C35H66N14O12 874.4985 NA PeJP NA NA +PJ062003 SLLLLMW C43H70N8O9S 874.4987 NA PeJP NA NA +PJ062004 AAKHHRR C36H62N18O8 874.4998 NA PeJP NA NA +PJ062005 GPPHRRR C36H62N18O8 874.4999 NA PeJP NA NA +PJ062006 SSTLLLLE C39H70N8O14 874.5012 NA PeJP NA NA +PJ062007 AALLLLMM C40H74N8O9S2 874.5021 NA PeJP NA NA +PJ062008 ATTLKRW C40H66N12O10 874.5025 NA PeJP NA NA +PJ062009 TMRRRR C33H66N18O8S 874.5032 NA PeJP NA NA +PJ062010 ALKKEMR C37H70N12O10S 874.5059 NA PeJP NA NA +PJ062011 VVVKHFF C45H66N10O8 874.5065 NA PeJP NA NA +PJ062012 GPLKKFW C45H66N10O8 874.5066 NA PeJP NA NA +PJ062013 SSTLRRR C34H66N16O11 874.5097 NA PeJP NA NA +PJ062014 GLLKKMW C42H70N10O8S 874.5099 NA PeJP NA NA +PJ062015 TLKKKEE C38H70N10O13 874.5124 NA PeJP NA NA +PJ062016 VLLLMMR C39H74N10O8S2 874.5133 NA PeJP NA NA +PJ062017 GPVKRRY C39H66N14O9 874.5138 NA PeJP NA NA +PJ062018 PLLLKEY C43H70N8O11 874.5164 NA PeJP NA NA +PJ062019 GALLLLEF C43H70N8O11 874.5165 NA PeJP NA NA +PJ062020 ATLKMRR C36H70N14O9S 874.5171 NA PeJP NA NA +PJ062021 ATTLLLLM C40H74N8O11S 874.5198 NA PeJP NA NA +PJ062022 TTLKKER C37H70N12O12 874.5236 NA PeJP NA NA +PJ062023 GSTTLLKR C37H70N12O12 874.5237 NA PeJP NA NA +PJ062024 PKRRRY C38H66N16O8 874.525 NA PeJP NA NA +PJ062025 STLLKKW C42H70N10O10 874.5277 NA PeJP NA NA +PJ062026 GCKKKRR C35H70N16O8S 874.5284 NA PeJP NA NA +PJ062027 VLKKKEM C39H74N10O10S 874.531 NA PeJP NA NA +PJ062028 LLDKKKM C39H74N10O10S 874.5311 NA PeJP NA NA +PJ062029 ALLLLFW C47H70N8O8 874.5317 NA PeJP NA NA +PJ062030 TTTLKRR C36H70N14O11 874.5349 NA PeJP NA NA +8164 antimicrobial peptide derived from aS1-casein (1-7) RPKHPIK 874.535 antibacterial Inhouse_peptide NA peptide +PJ062031 TTTTLLLL C40H74N8O13 874.5376 NA PeJP NA NA +PJ062032 GTKKKKW C41H70N12O9 874.5389 NA PeJP NA NA +PJ062033 SLLKKMR C38H74N12O9S 874.5423 NA PeJP NA NA +PJ062034 SSSLLLKK C39H74N10O12 874.5488 NA PeJP NA NA +PJ062035 VVKKKHH C40H70N14O8 874.5501 NA PeJP NA NA +PJ062036 GVLKFRR C40H70N14O8 874.5502 NA PeJP NA NA +PJ062037 LLLLLQY C44H74N8O10 874.5528 NA PeJP NA NA +PJ062038 GKKKKMR C37H74N14O8S 874.5535 NA PeJP NA NA +PJ062039 SKKKKKE C38H74N12O11 874.56 NA PeJP NA NA +PJ062040 LKFRRR C39H70N16O7 874.5614 NA PeJP NA NA +PJ062041 VVLLLRY C43H74N10O9 874.5641 NA PeJP NA NA +PJ062042 STKKKKR C37H74N14O10 874.5713 NA PeJP NA NA +PJ062043 ALLKKFR C42H74N12O8 874.5753 NA PeJP NA NA +PJ062044 CLKKKKK C39H78N12O8S 874.5787 NA PeJP NA NA +PJ062045 LLLLLKY C45H78N8O9 874.5892 NA PeJP NA NA +PJ062046 VLLKKKF C44H78N10O8 874.6005 NA PeJP NA NA +MJ096723 Huratoxin; 5-Deoxy, 6,7-deepoxy, 6,7-didehydro, 20-docosanoyl C56H90O7 874.668655 NA MeJP NA NA +HMDB10507 TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso3] C57H94O6 874.705017 NA HMDB2010 NA NA +HMDB10518 TG(20:4(5Z,8Z,11Z,14Z)/14:0/20:4(5Z,8Z,11Z,14Z))[iso3] C57H94O6 874.705017 NA HMDB2010 NA NA +C09811 Cyclohex-1-ene-1-carboxyl-CoA C28H44N7O17P3S 875.1727 NA KEGG NA NA +C16468 (2E)-5-Methylhexa-2,4-dienoyl-CoA C28H44N7O17P3S 875.1727 NA KEGG NA NA +MetaCyc04223 cyclohex-1-ene-1-carboxyl-CoA [cyclohex-1-ene-1-carbonyl-CoA;] C28H44N7O17P3S1 875.172723 NA metacyc NA NA +PJ062047 CCCCCNNN C27H45N11O12S5 875.1853 NA PeJP NA NA +FL7AAGGL0024 Monodemalonylsalviadelphin;Delphinidin 3-[6-(caffeoylglucoside)]-5-[6-(malonylglucoside)] C39H39O23 875.18821 128508-46-3<BR>144607-77-2 knapsack NA NA +PJ062048 SCCCCNDE C28H45N9O15S4 875.1918 NA PeJP NA NA +PJ062049 PCCCCCNM C29H49N9O10S6 875.1927 NA PeJP NA NA +PJ062050 GSCCCCDW C32H45N9O12S4 875.2071 NA PeJP NA NA +C16303 Ternatin C5 C36H43O25 875.2093 NA KEGG NA NA +FL7AAGGL0057 Ternatin C5 C36H43O25 875.20934 215378-78-2 knapsack NA NA +PJ062051 GSSSCCCDD C28H45N9O17S3 875.2096 NA PeJP NA NA +PJ062052 GCCCNDMM C29H49N9O12S5 875.2105 NA PeJP NA NA +PJ062053 GCCCCCER C28H49N11O11S5 875.2217 NA PeJP NA NA +PJ062054 GCCCNDDF C32H45N9O14S3 875.2249 NA PeJP NA NA +PJ062055 CCCCQMW C33H49N9O9S5 875.2257 NA PeJP NA NA +PJ062056 SSCCCNEM C29H49N9O14S4 875.2282 NA PeJP NA NA +PJ062057 GCCCCNHH C30H45N13O10S4 875.2296 NA PeJP NA NA +PJ062058 CDDDDMY C33H45N7O17S2 875.2314 NA PeJP NA NA +PJ062059 CDDMMMM C31H53N7O12S5 875.2356 NA PeJP NA NA +PJ062060 CCCCCRW C32H49N11O8S5 875.237 NA PeJP NA NA +PJ062061 SSCCCCDR C28H49N11O13S4 875.2395 NA PeJP NA NA +PJ062062 GSCCNDDY C32H45N9O16S2 875.2426 NA PeJP NA NA +PJ062063 GSSCCCMW C33H49N9O11S4 875.2435 NA PeJP NA NA +PJ062064 GSSSSCCDM C29H49N9O16S3 875.246 NA PeJP NA NA +PJ062065 GSCCNMMM C30H53N9O11S5 875.2468 NA PeJP NA NA +PJ062066 GGGSCCMMM C30H53N9O11S5 875.2469 NA PeJP NA NA +PJ062067 CDDDMMF C34H49N7O14S3 875.25 NA PeJP NA NA +PJ062068 CCDMMHH C32H49N11O10S4 875.2547 NA PeJP NA NA +PJ062069 GTCCCCMR C29H53N11O10S5 875.2581 NA PeJP NA NA +PJ062070 DDDDEMH C32H45N9O18S 875.2604 NA PeJP NA NA +PJ062071 SSSTCCCW C33H49N9O13S3 875.2612 NA PeJP NA NA +PJ062072 CCCCKMW C34H53N9O8S5 875.2621 NA PeJP NA NA +PJ062073 SSSSSSCCE C29H49N9O18S2 875.2637 NA PeJP NA NA +PJ062074 CDDDDFF C37H45N7O16S 875.2644 NA PeJP NA NA +PJ062075 SSSCCQMM C30H53N9O13S4 875.2646 NA PeJP NA NA +PJ062076 GCCNNNDH C30H45N13O14S2 875.2651 NA PeJP NA NA +PJ062077 SDDDMMY C34H49N7O16S2 875.2677 NA PeJP NA NA +PJ062078 TCDDEMY C34H49N7O16S2 875.2678 NA PeJP NA NA +PJ062079 PCCEMMY C35H53N7O11S4 875.2686 NA PeJP NA NA +PJ062080 CCDDHHF C35H45N11O12S2 875.2691 NA PeJP NA NA +PJ062081 GSCNDDEH C31H45N11O17S 875.2716 NA PeJP NA NA +PJ062082 SDMMMMM C32H57N7O11S5 875.272 NA PeJP NA NA +PJ062083 CCCNDRY C32H49N11O12S3 875.2725 NA PeJP NA NA +PJ062084 CCCHHHH C33H45N15O8S3 875.2738 NA PeJP NA NA +PJ062085 SSSCCCMR C29H53N11O12S4 875.2758 NA PeJP NA NA +PJ062086 GCCNMYW C37H49N9O10S3 875.2765 NA PeJP NA NA +PJ062087 GPNDDDDE C32H45N9O20 875.2781 NA PeJP NA NA +PJ062088 GSSCNDMY C33H49N9O15S2 875.279 NA PeJP NA NA +PJ062089 GPCCCCKY C34H53N9O10S4 875.2799 NA PeJP NA NA +PJ062090 GDDDEYY C37H45N7O18 875.2821 NA PeJP NA NA +PJ062091 GSSSSSCMM C30H53N9O15S3 875.2824 NA PeJP NA NA +PJ062092 PCCDEFY C38H49N7O13S2 875.283 NA PeJP NA NA +PJ062093 GTCCCKMM C31H57N9O10S5 875.2832 NA PeJP NA NA +PJ062094 GDEMMMY C35H53N7O13S3 875.2864 NA PeJP NA NA +PJ062095 SCNDDHW C35H45N11O14S 875.2868 NA PeJP NA NA +PJ062096 GGSCDDHW C35H45N11O14S 875.2869 NA PeJP NA NA +PJ062097 PCCCQHW C36H49N11O9S3 875.2877 NA PeJP NA NA +PJ062098 SSSNDDDH C31H45N11O19 875.2894 NA PeJP NA NA +PJ062099 NNDDMMH C32H49N11O14S2 875.2902 NA PeJP NA NA +PJ062100 GGGGGGPPCCD C32H49N11O14S2 875.2903 NA PeJP NA NA +PJ062101 AMMMMMM C33H61N7O8S6 875.2906 NA PeJP NA NA +PJ062102 CCCNMFR C33H53N11O9S4 875.2911 NA PeJP NA NA +PJ062103 PNDDDDW C36H45N9O17 875.2934 NA PeJP NA NA +PJ062104 SSCCQYW C37H49N9O12S2 875.2942 NA PeJP NA NA +PJ062105 GGGGPCCYY C37H49N9O12S2 875.2943 NA PeJP NA NA +PJ062106 SSSSCNEY C33H49N9O17S 875.2967 NA PeJP NA NA +PJ062107 TDDEEMH C33H49N9O17S 875.2968 NA PeJP NA NA +PJ062108 DDDYYW C41H45N7O15 875.2974 NA PeJP NA NA +PJ062109 SCNQMMY C34H53N9O12S3 875.2976 NA PeJP NA NA +PJ062110 SSSSSSTCM C30H53N9O17S2 875.3001 NA PeJP NA NA +PJ062111 GNNNNNDD C30H45N13O18 875.3006 NA PeJP NA NA +PJ062112 SPCDEYY C38H49N7O15S 875.3008 NA PeJP NA NA +PJ062113 SSSCCKMM C31H57N9O12S4 875.301 NA PeJP NA NA +PJ062114 CCNDEHR C31H49N13O13S2 875.3015 NA PeJP NA NA +PJ062115 DMMMYW C39H53N7O10S3 875.3016 NA PeJP NA NA +PJ062116 PDEEEEE C34H49N7O20 875.3033 NA PeJP NA NA +PJ062117 SSEEMMY C35H53N7O15S2 875.3041 NA PeJP NA NA +PJ062118 NNDDDHF C35H45N11O16 875.3046 NA PeJP NA NA +PJ062119 PTCMMMY C36H57N7O10S4 875.305 NA PeJP NA NA +PJ062120 GCNEMHW C36H49N11O11S2 875.3055 NA PeJP NA NA +PJ062121 GSSNDEMH C32H49N11O16S 875.308 NA PeJP NA NA +PJ062122 TTMMMMM C33H61N7O10S5 875.3084 NA PeJP NA NA +PJ062123 SCCNMRY C33H53N11O11S3 875.3088 NA PeJP NA NA +PJ062124 GGSCCMRY C33H53N11O11S3 875.3089 NA PeJP NA NA +PJ062125 CNNDHHH C33H45N15O12S 875.3093 NA PeJP NA NA +PJ062126 GCCNFFW C41H49N9O9S2 875.3095 NA PeJP NA NA +PJ062127 GSSSSCYW C37H49N9O14S 875.312 NA PeJP NA NA +PJ062128 ACCCKYW C38H53N9O9S3 875.3129 NA PeJP NA NA +PJ062129 GSSSSSSDY C33H49N9O19 875.3145 NA PeJP NA NA +PJ062130 GSSSNMMY C34H53N9O14S2 875.3154 NA PeJP NA NA +PJ062131 SDDEHHH C34H45N13O15 875.3159 NA PeJP NA NA +PJ062132 DDMFYW C42H49N7O12S 875.316 NA PeJP NA NA +PJ062133 CCNKMMF C35H57N9O9S4 875.3162 NA PeJP NA NA +PJ062134 GGCCKMMF C35H57N9O9S4 875.3163 NA PeJP NA NA +PJ062135 GCCDHRW C35H49N13O10S2 875.3167 NA PeJP NA NA +PJ062136 GSEEEYY C38H49N7O17 875.3185 NA PeJP NA NA +PJ062137 GSSCDDHR C31H49N13O15S 875.3192 NA PeJP NA NA +PJ062138 GGGGGGGGGGSPC C31H49N13O15S 875.3193 NA PeJP NA NA +PJ062139 GPDMMYY C39H53N7O12S2 875.3194 NA PeJP NA NA +PJ062140 GPTCCCHR C32H53N13O10S3 875.3201 NA PeJP NA NA +PJ062141 MMMMFW C40H57N7O7S4 875.3203 NA PeJP NA NA +PJ062142 CNMHWW C40H49N11O8S2 875.3207 NA PeJP NA NA +PJ062143 ATEMMMY C36H57N7O12S3 875.3228 NA PeJP NA NA +PJ062144 SSNDMHW C36H49N11O13S 875.3232 NA PeJP NA NA +PJ062145 GGGGPCNEW C36H49N11O13S 875.3233 NA PeJP NA NA +PJ062146 PCCCKHW C37H53N11O8S3 875.3241 NA PeJP NA NA +PJ062147 SSSSNEEH C32H49N11O18 875.3257 NA PeJP NA NA +PJ062148 GSPDDDDR C32H49N11O18 875.3258 NA PeJP NA NA +PJ062149 GSSTCCRY C33H53N11O13S2 875.3266 NA PeJP NA NA +PJ062150 CNQYYW C41H49N9O11S 875.3272 NA PeJP NA NA +PJ062151 GGCQYYW C41H49N9O11S 875.3273 NA PeJP NA NA +PJ062152 SSNNEYY C37H49N9O16 875.3297 NA PeJP NA NA +PJ062153 SPNDEEW C37H49N9O16 875.3298 NA PeJP NA NA +PJ062154 SSCCKYW C38H53N9O11S2 875.3306 NA PeJP NA NA +PJ062155 SSSSSQMY C34H53N9O16S 875.3331 NA PeJP NA NA +PJ062156 GGGAPEEEM C34H53N9O16S 875.3332 NA PeJP NA NA +PJ062157 SEEYYW C42H49N7O14 875.3338 NA PeJP NA NA +PJ062158 SCNKMMY C35H57N9O11S3 875.334 NA PeJP NA NA +PJ062159 CNNNQHF C35H49N13O12S 875.3345 NA PeJP NA NA +PJ062160 DMMFFW C43H53N7O9S2 875.3347 NA PeJP NA NA +PJ062161 NNNDDER C31H49N13O17 875.337 NA PeJP NA NA +PJ062162 SSPEMYY C39H53N7O14S 875.3371 NA PeJP NA NA +PJ062163 AAEEMYY C39H53N7O14S 875.3372 NA PeJP NA NA +PJ062164 SCNEMHR C32H53N13O12S2 875.3378 NA PeJP NA NA +PJ062165 GGSCEMHR C32H53N13O12S2 875.3379 NA PeJP NA NA +PJ062166 GPMMMFY C40H57N7O9S3 875.338 NA PeJP NA NA +PJ062167 GSTCHWW C40H49N11O10S 875.3385 NA PeJP NA NA +PJ062168 TTTEMMY C36H57N7O14S2 875.3405 NA PeJP NA NA +PJ062169 GSSSSEHW C36H49N11O15 875.341 NA PeJP NA NA +PJ062170 GLMMMMY C37H61N7O9S4 875.3414 NA PeJP NA NA +PJ062171 PPCCDRW C37H53N11O10S2 875.3419 NA PeJP NA NA +PJ062172 SSSSSCRY C33H53N11O15S 875.3444 NA PeJP NA NA +PJ062173 GSPDEWW C41H49N9O13 875.345 NA PeJP NA NA +PJ062174 TCCCKRY C34H57N11O10S3 875.3452 NA PeJP NA NA +PJ062175 GGGGVMMMH C34H57N11O10S3 875.3453 NA PeJP NA NA +PJ062176 SNNMHHH C34H49N15O11S 875.3457 NA PeJP NA NA +PJ062177 GPPCMWW C42H53N9O8S2 875.3459 NA PeJP NA NA +PJ062178 GPQEEMW C38H53N9O13S 875.3484 NA PeJP NA NA +PJ062179 DDFFFW C46H49N7O11 875.349 NA PeJP NA NA +PJ062180 SCCDHRR C31H53N15O11S2 875.3491 NA PeJP NA NA +PJ062181 EMHHHW C39H49N13O9S 875.3497 NA PeJP NA NA +PJ062182 GSSSSSTTY C34H53N9O18 875.3509 NA PeJP NA NA +PJ062183 GSSTCKMY C35H57N9O13S2 875.3518 NA PeJP NA NA +PJ062184 GNNDDRW C35H49N13O14 875.3522 NA PeJP NA NA +PJ062185 GGGGGDDRW C35H49N13O14 875.3523 NA PeJP NA NA +PJ062186 VDMYYW C43H53N7O11S 875.3524 NA PeJP NA NA +PJ062187 PVMMMMH C36H61N9O8S4 875.3526 NA PeJP NA NA +PJ062188 GSCMHRW C36H53N13O9S2 875.3531 NA PeJP NA NA +PJ062189 GDHHHHH C36H45N17O10 875.3536 NA PeJP NA NA +PJ062190 CHHFFW C44H49N11O7S 875.3538 NA PeJP NA NA +PJ062191 ATTEEYY C39H53N7O16 875.3549 NA PeJP NA NA +PJ062192 PCDDDRR C32H53N13O14S 875.3556 NA PeJP NA NA +PJ062193 APTMMYY C40H57N7O11S2 875.3558 NA PeJP NA NA +PJ062194 SSSSHWW C40H49N11O12 875.3562 NA PeJP NA NA +PJ062195 GGNQEWW C40H49N11O12 875.3563 NA PeJP NA NA +PJ062196 GNMMMHR C33H57N13O9S3 875.3565 NA PeJP NA NA +PJ062197 PLEEEEM C36H57N7O16S 875.3583 NA PeJP NA NA +PJ062198 STLMMMY C37H61N7O11S3 875.3591 NA PeJP NA NA +PJ062199 GPDDMRW C37H53N11O12S 875.3596 NA PeJP NA NA +PJ062200 GGGGGGAPPCF C37H53N11O12S 875.3597 NA PeJP NA NA +PJ062201 SPDWWW C45H49N9O10 875.3603 NA PeJP NA NA +PJ062202 GQEEEER C33H53N11O17 875.3621 NA PeJP NA NA +PJ062203 GGGGGGKEEE C33H53N11O17 875.3622 NA PeJP NA NA +PJ062204 GSPPCEMR C34H57N11O12S2 875.363 NA PeJP NA NA +PJ062205 GSSSQHHH C34H49N15O13 875.3635 NA PeJP NA NA +PJ062206 PQEMWW C42H53N9O10S 875.3636 NA PeJP NA NA +PJ062207 GAPEMWW C42H53N9O10S 875.3637 NA PeJP NA NA +PJ062208 SPTQEEW C38H53N9O15 875.3661 NA PeJP NA NA +PJ062209 GVQEEEW C38H53N9O15 875.3662 NA PeJP NA NA +PJ062210 NNNNNMR C31H53N15O13S 875.3668 NA PeJP NA NA +PJ062211 GGGGGGNNMR C31H53N15O13S 875.3669 NA PeJP NA NA +PJ062212 SPPQMMW C39H57N9O10S2 875.367 NA PeJP NA NA +PJ062213 GPNEHHW C39H49N13O11 875.3675 NA PeJP NA NA +PJ062214 ACCMHRR C32H57N15O8S3 875.3677 NA PeJP NA NA +PJ062215 SSSSSKMY C35H57N9O15S 875.3695 NA PeJP NA NA +PJ062216 AAPEYYY C43H53N7O13 875.3702 NA PeJP NA NA +PJ062217 TCCKKMY C36H61N9O10S3 875.3704 NA PeJP NA NA +PJ062218 SSTCHRW C36H53N13O11S 875.3708 NA PeJP NA NA +PJ062219 GGSPCNRW C36H53N13O11S 875.3709 NA PeJP NA NA +PJ062220 VMMFYW C44H57N7O8S2 875.371 NA PeJP NA NA +PJ062221 GNQWWW C44H49N11O9 875.3715 NA PeJP NA NA +MJ096724 Taxol?; N-Debenzoyl, N-tigloyl, 10-de-Ac, 10-(3-hydroxybutanoyl) C47H57NO15 875.37282 NA MeJP NA NA +PJ062222 SNNQEER C32H53N13O16 875.3733 NA PeJP NA NA +PJ062223 GDDEERR C32H53N13O16 875.3734 NA PeJP NA NA +PJ062224 GTLEMYY C40H57N7O13S 875.3735 NA PeJP NA NA +PJ062225 SSQMMHR C33H57N13O11S2 875.3742 NA PeJP NA NA +PJ062226 GGGGGGPMMR C33H57N13O11S2 875.3743 NA PeJP NA NA +PJ062227 GLMMMFF C41H61N7O8S3 875.3744 NA PeJP NA NA +PJ062228 PCERWW C41H53N11O9S 875.3749 NA PeJP NA NA +PJ062229 VLEEEEE C36H57N7O18 875.376 NA PeJP NA NA +PJ062230 QEEERW C37H53N11O14 875.3774 NA PeJP NA NA +PJ062231 SPPCMRW C38H57N11O9S2 875.3782 NA PeJP NA NA +PJ062232 GSKMMHW C38H57N11O9S2 875.3783 NA PeJP NA NA +PJ062233 GNQHHHF C38H49N15O10 875.3787 NA PeJP NA NA +PJ062234 APMWWW C46H53N9O7S 875.3789 NA PeJP NA NA +PJ062235 SSSSLQMH C34H57N11O14S 875.3807 NA PeJP NA NA +PJ062236 SPQEEMR C34H57N11O14S 875.3808 NA PeJP NA NA +PJ062237 VQEEWW C42H53N9O12 875.3814 NA PeJP NA NA +PJ062238 PPNMMMR C35H61N11O9S3 875.3816 NA PeJP NA NA +PJ062239 SCQKHHH C35H53N15O10S 875.3821 NA PeJP NA NA +PJ062240 PNHHWW C43H49N13O8 875.3827 NA PeJP NA NA +PJ062241 GGPHHWW C43H49N13O8 875.3828 NA PeJP NA NA +PJ062242 SNNDDRR C31H53N15O15 875.3846 NA PeJP NA NA +PJ062243 GPKEEMW C39H57N9O12S 875.3848 NA PeJP NA NA +PJ062244 PTFYYW C47H53N7O10 875.3854 NA PeJP NA NA +PJ062245 SSCMHRR C32H57N15O10S2 875.3855 NA PeJP NA NA +PJ062246 CQHFRW C40H53N13O8S 875.3861 NA PeJP NA NA +PJ062247 VNKEEEE C35H57N9O17 875.3873 NA PeJP NA NA +PJ062248 PLQQEMM C36H61N9O12S2 875.3881 NA PeJP NA NA +PJ062249 GSPPKEMM C36H61N9O12S2 875.3882 NA PeJP NA NA +PJ062250 DDERRW C36H53N13O13 875.3886 NA PeJP NA NA +PJ062251 TLMYYW C44H57N7O10S 875.3888 NA PeJP NA NA +PJ062252 ALMMHHH C37H57N13O8S2 875.3895 NA PeJP NA NA +PJ062253 ATHHHHH C37H49N17O9 875.39 NA PeJP NA NA +PJ062254 STTLEYY C40H57N7O15 875.3913 NA PeJP NA NA +PJ062255 SPDDMRR C33H57N13O13S 875.392 NA PeJP NA NA +PJ062256 GVLMMYY C41H61N7O10S2 875.3922 NA PeJP NA NA +PJ062257 AEERWW C41H53N11O11 875.3926 NA PeJP NA NA +PJ062258 GGGGKEWW C41H53N11O11 875.3927 NA PeJP NA NA +PJ062259 ACKMMHR C34H61N13O8S3 875.3929 NA PeJP NA NA +PJ062260 GPTEMRW C38H57N11O11S 875.396 NA PeJP NA NA +PJ062261 GLEWWW C46H53N9O9 875.3967 NA PeJP NA NA +PJ062262 GKEEEER C34H57N11O16 875.3985 NA PeJP NA NA +PJ062263 PVNEMMR C35H61N11O11S2 875.3994 NA PeJP NA NA +PJ062264 SPNEHHR C35H53N15O12 875.3998 NA PeJP NA NA +PJ062265 GGSPEHHR C35H53N15O12 875.3999 NA PeJP NA NA +PJ062266 PKEMWW C43H57N9O9S 875.4 NA PeJP NA NA +PJ062267 GVKEEEW C39H57N9O14 875.4025 NA PeJP NA NA +2798 peptide toxic from alpha-gliadin YPQPQPF 875.403 NA Inhouse_peptide NA peptide +PJ062268 GNNEMRR C32H57N15O12S 875.4032 NA PeJP NA NA +PJ062269 GGGGGGGACKR C32H57N15O12S 875.4033 NA PeJP NA NA +PJ062270 SPPKMMW C40H61N9O9S2 875.4034 NA PeJP NA NA +PJ062271 SNQRWW C40H53N13O10 875.4039 NA PeJP NA NA +PJ062272 VMFFFW C48H57N7O7S 875.4041 NA PeJP NA NA +PJ062273 PDKKEEM C36H61N9O14S 875.4059 NA PeJP NA NA +PJ062274 GPTLYYY C44H57N7O12 875.4065 NA PeJP NA NA +PJ062275 AALEFYY C44H57N7O12 875.4066 NA PeJP NA NA +PJ062276 TLLMMMH C37H65N9O9S3 875.4068 NA PeJP NA NA +PJ062277 QQQMRW C37H57N13O10S 875.4072 NA PeJP NA NA +PJ062278 GGAAQMRW C37H57N13O10S 875.4073 NA PeJP NA NA +PJ062279 GNKWWW C45H53N11O8 875.4079 NA PeJP NA NA +PJ062280 SVDDERR C33H57N13O15 875.4097 NA PeJP NA NA +PJ062281 GTEEERR C33H57N13O15 875.4098 NA PeJP NA NA +PJ062282 SSLLMYY C41H61N7O12S 875.4099 NA PeJP NA NA +PJ062283 GPEMMRR C34H61N13O10S2 875.4106 NA PeJP NA NA +PJ062284 GNQQHHR C34H53N17O11 875.4111 NA PeJP NA NA +PJ062285 PTMRWW C42H57N11O8S 875.4113 NA PeJP NA NA +PJ062286 LWWWW C50H53N9O6 875.4119 NA PeJP NA NA +PJ062287 KEEERW C38H57N11O13 875.4138 NA PeJP NA NA +PJ062288 GCNDRRR C31H57N17O11S 875.4145 NA PeJP NA NA +PJ062289 GPVMMRW C39H61N11O8S2 875.4146 NA PeJP NA NA +PJ062290 GSPHHRW C39H53N15O9 875.4151 NA PeJP NA NA +PJ062291 SPKEEMR C35H61N11O13S 875.4171 NA PeJP NA NA +PJ062292 GAALEEMR C35H61N11O13S 875.4172 NA PeJP NA NA +PJ062293 VKEEWW C43H57N9O11 875.4178 NA PeJP NA NA +PJ062294 AKKMMMH C36H65N11O8S3 875.418 NA PeJP NA NA +PJ062295 NNMRRW C36H57N15O9S 875.4185 NA PeJP NA NA +PJ062296 LHHHFW C44H53N13O7 875.4191 NA PeJP NA NA +PJ062297 SSNQERR C32H57N15O14 875.421 NA PeJP NA NA +PJ062298 ATCKKYY C40H61N9O11S 875.4211 NA PeJP NA NA +PJ062299 SPVKEMW C40H61N9O11S 875.4212 NA PeJP NA NA +PJ062300 VVFYYW C48H57N7O9 875.4218 NA PeJP NA NA +PJ062301 GGPCCKRR C33H61N15O9S2 875.4219 NA PeJP NA NA +PJ062302 CKHFRW C41H57N13O7S 875.4225 NA PeJP NA NA +PJ062303 SSSSPPTTL C36H61N9O16 875.4236 NA PeJP NA NA +PJ062304 VDKKEEE C36H61N9O16 875.4237 NA PeJP NA NA +PJ062305 PLQKEMM C37H65N9O11S2 875.4245 NA PeJP NA NA +PJ062306 TEERRW C37H57N13O12 875.425 NA PeJP NA NA +PJ062307 GVLMFFY C45H61N7O9S 875.4252 NA PeJP NA NA +PJ062308 PMMRRW C38H61N13O7S2 875.4259 NA PeJP NA NA +PJ062309 PLLEEEF C41H61N7O14 875.4277 NA PeJP NA NA +PJ062310 GVEEMRR C34H61N13O12S 875.4284 NA PeJP NA NA +PJ062311 SLERWW C42H57N11O10 875.429 NA PeJP NA NA +PJ062312 APCHHRR C35H57N17O8S 875.4297 NA PeJP NA NA +PJ062313 LLLEEEM C38H65N7O14S 875.4311 NA PeJP NA NA +PJ062314 AALEMRW C39H61N11O10S 875.4324 NA PeJP NA NA +PJ062315 SVLWWW C47H57N9O8 875.433 NA PeJP NA NA +PJ062316 GAPLFWW C47H57N9O8 875.4331 NA PeJP NA NA +PJ062317 SVKEEER C35H61N11O15 875.4349 NA PeJP NA NA +PJ062318 PVDKMMR C36H65N11O10S2 875.4358 NA PeJP NA NA +PJ062319 GSSQRRW C36H57N15O11 875.4362 NA PeJP NA NA +PJ062320 GGGGGPRRY C36H57N15O11 875.4363 NA PeJP NA NA +PJ062321 LLQMWW C44H61N9O8S 875.4364 NA PeJP NA NA +PJ062322 ATLKEEW C40H61N9O13 875.4389 NA PeJP NA NA +PJ062323 EEMRRR C33H61N15O11S 875.4396 NA PeJP NA NA +PJ062324 APLKMMW C41H65N9O8S2 875.4398 NA PeJP NA NA +PJ062325 SNKRWW C41H57N13O9 875.4403 NA PeJP NA NA +PJ062326 VLQKEEM C37H65N9O13S 875.4423 NA PeJP NA NA +PJ062327 AALLYYY C45H61N7O11 875.4429 NA PeJP NA NA +PJ062328 VEMRRW C38H61N13O9S 875.4436 NA PeJP NA NA +PJ062329 SSLEERR C34H61N13O14 875.4461 NA PeJP NA NA +PJ062330 GGGGGGGTTKK C34H61N13O14 875.4462 NA PeJP NA NA +PJ062331 SPVMMRR C35H65N13O9S2 875.447 NA PeJP NA NA +PJ062332 AAEHHRR C35H57N17O10 875.4475 NA PeJP NA NA +PJ062333 VVMRWW C43H61N11O7S 875.4477 NA PeJP NA NA +PJ062334 ATTLERW C39H61N11O12 875.4501 NA PeJP NA NA +PJ062335 GGATKKEW C39H61N11O12 875.4502 NA PeJP NA NA +PJ062336 GSNMRRR C32H61N17O10S 875.4508 NA PeJP NA NA +PJ062337 GGGSMRRR C32H61N17O10S 875.4509 NA PeJP NA NA +PJ062338 LQHHRW C40H57N15O8 875.4515 NA PeJP NA NA +PJ062339 ALKEEMR C36H65N11O12S 875.4535 NA PeJP NA NA +PJ062340 GTTLLWW C44H61N9O10 875.4542 NA PeJP NA NA +PJ062341 CQKRRW C37H61N15O8S 875.4549 NA PeJP NA NA +PJ062342 STTQQRR C33H61N15O13 875.4573 NA PeJP NA NA +PJ062343 SSNKERR C33H61N15O13 875.4574 NA PeJP NA NA +PJ062344 VVVDKMW C41H65N9O10S 875.4575 NA PeJP NA NA +PJ062345 GLLKEMW C41H65N9O10S 875.4576 NA PeJP NA NA +PJ062346 GVLFFFF C49H61N7O8 875.4582 NA PeJP NA NA +PJ062347 DHHRRR C34H57N19O9 875.4587 NA PeJP NA NA +PJ062348 ASTLLDKE C37H65N9O15 875.46 NA PeJP NA NA +PJ062349 TLKKEEE C37H65N9O15 875.4601 NA PeJP NA NA +PJ062350 PLKKEMM C38H69N9O10S2 875.4609 NA PeJP NA NA +PJ062351 GSDKKRW C38H61N13O11 875.4614 NA PeJP NA NA +PJ062352 PLLLEEY C42H65N7O13 875.4641 NA PeJP NA NA +PJ062353 SVQQKMR C35H65N13O11S 875.4647 NA PeJP NA NA +PJ062354 ATLEMRR C35H65N13O11S 875.4648 NA PeJP NA NA +PJ062355 TQKKWW C43H61N11O9 875.4654 NA PeJP NA NA +PJ062356 SSSQRRR C32H61N17O12 875.4686 NA PeJP NA NA +PJ062357 GTLLMRW C40H65N11O9S 875.4688 NA PeJP NA NA +PJ062358 PLKFWW C48H61N9O7 875.4694 NA PeJP NA NA +PJ062359 TTLKEER C36H65N11O14 875.4713 NA PeJP NA NA +PJ062360 VVLQMMR C37H69N11O9S2 875.4721 NA PeJP NA NA +PJ062361 PTLKMMR C37H69N11O9S2 875.4722 NA PeJP NA NA +PJ062362 GSSKRRW C37H61N15O10 875.4726 NA PeJP NA NA +PJ062363 LLKMWW C45H65N9O7S 875.4728 NA PeJP NA NA +PJ062364 STLLKEW C41H65N9O12 875.4753 NA PeJP NA NA +PJ062365 GTQKMRR C34H65N15O10S 875.476 NA PeJP NA NA +PJ062366 PVRRYW C42H61N13O8 875.4766 NA PeJP NA NA +PJ062367 GVLKHHW C42H61N13O8 875.4767 NA PeJP NA NA +PJ062368 VLKKEEM C38H69N9O12S 875.4787 NA PeJP NA NA +PJ062369 QKKMRW C39H65N13O8S 875.48 NA PeJP NA NA +PJ062370 TTTLERR C35H65N13O13 875.4825 NA PeJP NA NA +PJ062371 GLLMMRR C36H69N13O8S2 875.4834 NA PeJP NA NA +PJ062372 NQFRRR C36H61N17O9 875.4839 NA PeJP NA NA +PJ062373 STTLLRW C40H65N11O11 875.4865 NA PeJP NA NA +PJ062374 GGGGPLKKY C40H65N11O11 875.4866 NA PeJP NA NA +PJ062375 GTCKRRR C33H65N17O9S 875.4872 NA PeJP NA NA +PJ062376 LKHHRW C41H61N15O7 875.4879 NA PeJP NA NA +PJ062377 SLLKEMR C37H69N11O11S 875.4899 NA PeJP NA NA +PJ062378 GPLLKYW C45H65N9O9 875.4906 NA PeJP NA NA +PJ062379 CKKRRW C38H65N15O7S 875.4913 NA PeJP NA NA +PJ062380 SSDKKRR C34H65N15O12 875.4937 NA PeJP NA NA +PJ062381 GGTTTKRR C34H65N15O12 875.4938 NA PeJP NA NA +PJ062382 SVLLKMW C42H69N9O9S 875.4939 NA PeJP NA NA +PJ062383 SSSLLLKE C38H69N9O14 875.4964 NA PeJP NA NA +PJ062384 LLLQKMM C39H73N9O9S2 875.4973 NA PeJP NA NA +PJ062385 GTTKKRW C39H65N13O10 875.4978 NA PeJP NA NA +PJ062386 LLLLEEF C43H69N7O12 875.5005 NA PeJP NA NA +PJ062387 STLLMRR C36H69N13O10S 875.5011 NA PeJP NA NA +PJ062388 GKKKEMR C36H69N13O10S 875.5012 NA PeJP NA NA +PJ062389 TKKKWW C44H65N11O8 875.5018 NA PeJP NA NA +PJ062390 SSSKRRR C33H65N17O11 875.505 NA PeJP NA NA +PJ062391 GVKKKMW C41H69N11O8S 875.5052 NA PeJP NA NA +PJ062392 SSSTLLLR C37H69N11O13 875.5077 NA PeJP NA NA +PJ062393 VVLKMMR C38H73N11O8S2 875.5085 NA PeJP NA NA +PJ062394 LEFRRR C38H65N15O9 875.509 NA PeJP NA NA +PJ062395 PVLKKEY C42H69N9O11 875.5117 NA PeJP NA NA +PJ062396 GTKKMRR C35H69N15O9S 875.5124 NA PeJP NA NA +PJ062397 VLFRRW C43H65N13O7 875.513 NA PeJP NA NA +PJ062398 GTTLLLKM C39H73N9O11S 875.5151 NA PeJP NA NA +MJ096725 BZR-Cotoxin IV C47H69N7O9 875.515676 NA MeJP NA NA +PJ062399 KKKMRW C40H69N13O7S 875.5164 NA PeJP NA NA +PJ062400 STKKKER C36H69N13O12 875.5189 NA PeJP NA NA +PJ062401 NKFRRR C37H65N17O8 875.5202 NA PeJP NA NA +PJ062402 GGKFRRR C37H65N17O8 875.5203 NA PeJP NA NA +PJ062403 SSLKKKW C41H69N11O10 875.5229 NA PeJP NA NA +PJ062404 VDKKKKM C38H73N11O10S 875.5263 NA PeJP NA NA +PJ062405 AVLLKFW C46H69N9O8 875.5269 NA PeJP NA NA +PJ062406 GLLLKFW C46H69N9O8 875.527 NA PeJP NA NA +PJ062407 STTKKRR C35H69N15O11 875.5301 NA PeJP NA NA +PJ062408 PLLKKMF C43H73N9O8S 875.5303 NA PeJP NA NA +PJ062409 STTTLLLK C39H73N9O13 875.5328 NA PeJP NA NA +PJ062410 LLLKKMM C40H77N9O8S2 875.5337 NA PeJP NA NA +PJ062411 GVLLRRY C40H69N13O9 875.5342 NA PeJP NA NA +PJ062412 LLLLLEY C44H73N7O11 875.5368 NA PeJP NA NA +PJ062413 SVKKKMR C37H73N13O9S 875.5375 NA PeJP NA NA +PJ062414 ASTTLKKK C38H73N11O12 875.544 NA PeJP NA NA +PJ062415 GTTTLKKK C38H73N11O12 875.5441 NA PeJP NA NA +PJ062416 LLRRRY C39H69N15O8 875.5454 NA PeJP NA NA +PJ062417 VLLLQKY C43H73N9O10 875.5481 NA PeJP NA NA +PJ062418 ALLLKRY C42H73N11O9 875.5593 NA PeJP NA NA +PJ062419 TLKKKKM C39H77N11O9S 875.5627 NA PeJP NA NA +EUR1027 PC 40:8 [M+FA-H]- C48H80NO8P 875.567037 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1027 PC 40:8 [M+FA-H]- C48H80NO8P 875.567037 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1027 PC 40:8 [M+FA-H]- C48H80NO8P 875.567037 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1027 PC 40:8 [M+FA-H]- C48H80NO8P 875.567037 masses lipides attendues Inhousejuil11 NA NA +PJ062420 AVKKKFR C41H73N13O8 875.5705 NA PeJP NA NA +PJ062421 GLKKKFR C41H73N13O8 875.5706 NA PeJP NA NA +PJ062422 VLLLKKY C44H77N9O9 875.5845 NA PeJP NA NA +PJ062423 VVKKKKF C43H77N11O8 875.5957 NA PeJP NA NA +HMDB09641 PE(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)) C51H90NO8P 875.640381 NA HMDB2010 NA NA +HMDB09674 PE(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) C51H90NO8P 875.640381 NA HMDB2010 NA NA +HMDB09706 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0) C51H90NO8P 875.640381 NA HMDB2010 NA NA +HMDB09738 PE(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C51H90NO8P 875.640381 NA HMDB2010 NA NA +HMDB09769 PE(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C51H90NO8P 875.640381 NA HMDB2010 NA NA +HMDB09770 PE(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C51H90NO8P 875.640381 NA HMDB2010 NA NA +HMDB13450 PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C52H94NO7P 875.676819 NA HMDB2010 NA NA +HMDB13457 PC(o-22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z)) C52H94NO7P 875.676819 NA HMDB2010 NA NA +EUR1118 SM(d18:1/24:0) [M-H+acetate]- C47H96N2O6P 875.721701 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1118 SM(d18:1/24:0) [M-H+acetate]- C47H96N2O6P 875.721701 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1118 SM(d18:1/24:0) [M-H+acetate]- C47H96N2O6P 875.721701 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1118 SM(d18:1/24:0) [M-H+acetate]- C47H96N2O6P 875.721701 masses lipides attendues Inhousejuil11 NA NA +MJ096726 ?-(Dimethylamino)-3,5-diiodo-N-[5-[[3-(3-iodo-4-methoxyphenyl)-2-(methylamino)-1-oxopropyl]amino]pentyl]-4-methoxybenzenepropanamide C28H39I3N4O4 876.010536 NA MeJP NA NA +PJ062424 CCCCCCCH C27H44N10O9S7 876.1338 NA PeJP NA NA +PJ062425 CCCCCNND C27H44N10O13S5 876.1693 NA PeJP NA NA +PJ062426 SCCCCDDE C28H44N8O16S4 876.1758 NA PeJP NA NA +PJ062427 TCCCCDDD C28H44N8O16S4 876.1759 NA PeJP NA NA +PJ062428 PCCCCCDM C29H48N8O11S6 876.1767 NA PeJP NA NA +PJ062429 GCCCDDMM C29H48N8O13S5 876.1945 NA PeJP NA NA +PJ062430 SCCCCNNM C28H48N10O12S5 876.2057 NA PeJP NA NA +PJ062431 GCCCDDDF C32H44N8O15S3 876.2089 NA PeJP NA NA +PJ062432 CCCCEMW C33H48N8O10S5 876.2097 NA PeJP NA NA +PJ062433 SSCCCDEM C29H48N8O15S4 876.2122 NA PeJP NA NA +PJ062434 SPCCCCMM C30H52N8O10S6 876.2131 NA PeJP NA NA +PJ062435 GCCCCDHH C30H44N12O11S4 876.2136 NA PeJP NA NA +PJ062436 GSSSCCCCQ C28H48N10O14S4 876.2235 NA PeJP NA NA +PJ062437 GSCCDDDY C32H44N8O17S2 876.2266 NA PeJP NA NA +PJ062438 GPCCCCEY C33H48N8O12S4 876.2275 NA PeJP NA NA +PJ062439 GSCCDMMM C30H52N8O12S5 876.2309 NA PeJP NA NA +FL5FACGL0076 Quercetin 3-(3'''-benzoylsophoroside)-7-rhamnoside C40H44O22 876.23242 88064-46-4 knapsack NA NA +FL5FACGS0113 Quercetin 3-rutinoside-7-(6''-benzoylglucoside);7-[(6-O-Benzoyl-beta-D-glucopyranosyl)oxy]-3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one C40H44O22 876.23242 351217-48-6 knapsack NA NA +MJ096727 Sweroside; 4'-O-[?-D-Glucopyranosyl-(?3)-2,3-dihydroxybenzoyl], 2'-O-(2,3-dihydroxybenzoyl), 3',6'-di-Ac C40H44O22 876.232423 NA MeJP NA NA +MJ096728 Sweroside; 4'-O-[?-D-glucopyranosyl-(?2)-2,3-dihydroxybenzoyl], 2'-O-(2,3-dihydroxybenzoyl), 3',6'-di-Ac C40H44O22 876.232423 NA MeJP NA NA +MJ096729 Vincetoxicoside B; 3-O-[3-O-Benzoyl-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C40H44O22 876.232423 NA MeJP NA NA +PJ062440 GCCCCNQF C32H48N10O11S4 876.2387 NA PeJP NA NA +PJ062441 SSSSSCCCN C28H48N10O16S3 876.2412 NA PeJP NA NA +PJ062442 SCCCCCQK C29H52N10O11S5 876.2421 NA PeJP NA NA +PJ062443 PCCCCYW C37H48N8O9S4 876.2427 NA PeJP NA NA +PJ062444 CCNDEMY C33H48N8O14S3 876.2452 NA PeJP NA NA +PJ062445 GGCCDEMY C33H48N8O14S3 876.2453 NA PeJP NA NA +PJ062446 TCCCMMW C34H52N8O9S5 876.2461 NA PeJP NA NA +PJ062447 SSSCCEMM C30H52N8O14S4 876.2486 NA PeJP NA NA +PJ062448 GCCNNDDH C30H44N12O15S2 876.2491 NA PeJP NA NA +PJ062449 CCQMMMM C31H56N8O9S6 876.2495 NA PeJP NA NA +PJ062450 GSCCCMHH C31H48N12O10S4 876.25 NA PeJP NA NA +PJ062451 GSCDDDEH C31H44N10O18S 876.2556 NA PeJP NA NA +PJ062452 CCCDDRY C32H48N10O13S3 876.2565 NA PeJP NA NA +PJ062453 GSSSCCCCK C29H52N10O13S4 876.2599 NA PeJP NA NA +PJ062454 GCCDMYW C37H48N8O11S3 876.2605 NA PeJP NA NA +PJ062455 CCCMMMR C30H56N10O8S6 876.2607 NA PeJP NA NA +PJ062456 APDDDDDD C32H44N8O21 876.2621 NA PeJP NA NA +PJ062457 GPDDDDDE C32H44N8O21 876.2622 NA PeJP NA NA +MJ096730 Rivulotririn C C48H44O16 876.262935 NA MeJP NA NA +PJ062458 GSSCDDMY C33H48N8O16S2 876.263 NA PeJP NA NA +PJ062459 GPTCCCMY C34H52N8O11S4 876.2639 NA PeJP NA NA +PJ062460 GSSCMMMM C31H56N8O11S5 876.2672 NA PeJP NA NA +PJ062461 SSTCCCHH C31H48N12O12S3 876.2677 NA PeJP NA NA +PJ062462 SCDDDHW C35H44N10O15S 876.2709 NA PeJP NA NA +PJ062463 PCCCEHW C36H48N10O10S3 876.2717 NA PeJP NA NA +PJ062464 SSSDDDDH C31H44N10O20 876.2734 NA PeJP NA NA +PJ062465 SSSCCNNY C32H48N10O15S2 876.2742 NA PeJP NA NA +PJ062466 GGDDDMMH C32H48N10O15S2 876.2743 NA PeJP NA NA +PJ062467 CCCDMFR C33H52N10O10S4 876.2751 NA PeJP NA NA +PJ062468 PDDDDDW C36H44N8O18 876.2774 NA PeJP NA NA +PJ062469 SSCCEYW C37H48N8O13S2 876.2782 NA PeJP NA NA +PJ062470 PCCNDYY C37H48N8O13S2 876.2783 NA PeJP NA NA +PJ062471 SCCCCCKK C30H56N10O10S5 876.2785 NA PeJP NA NA +PJ062472 GCCMMFW C38H52N8O8S4 876.2791 NA PeJP NA NA +PJ062473 SSSSCDEY C33H48N8O18S 876.2808 NA PeJP NA NA +PJ062474 SCNEMMY C34H52N8O13S3 876.2816 NA PeJP NA NA +PJ062475 CCYYYY C42H48N6O11S2 876.2823 NA PeJP NA NA +PJ062476 CCCQHHF C35H48N12O9S3 876.283 NA PeJP NA NA +PJ062477 GNNNNDDD C30H44N12O19 876.2846 NA PeJP NA NA +PJ062478 SSSTCMMM C31H56N8O13S4 876.285 NA PeJP NA NA +PJ062479 CCDDEHR C31H48N12O14S2 876.2855 NA PeJP NA NA +PJ062480 CCKMMMM C32H60N8O8S6 876.2859 NA PeJP NA NA +PJ062481 NDDDDHF C35H44N10O17 876.2886 NA PeJP NA NA +PJ062482 GCDEMHW C36H48N10O12S2 876.2895 NA PeJP NA NA +PJ062483 GSSDDEMH C32H48N10O17S 876.292 NA PeJP NA NA +PJ062484 SCCDMRY C33H52N10O12S3 876.2929 NA PeJP NA NA +PJ062485 CNDDHHH C33H44N14O13S 876.2933 NA PeJP NA NA +PJ062486 GGCDDHHH C33H44N14O13S 876.2934 NA PeJP NA NA +PJ062487 GCCDFFW C41H48N8O10S2 876.2935 NA PeJP NA NA +PJ062488 GNDDMYY C37H48N8O15S 876.296 NA PeJP NA NA +PJ062489 GSCMMYW C38H52N8O10S3 876.2969 NA PeJP NA NA +PJ062490 GSPDDEEE C33H48N8O20 876.2985 NA PeJP NA NA +PJ062491 GSSSDMMY C34H52N8O15S2 876.2994 NA PeJP NA NA +PJ062492 ACQMMMY C35H56N8O10S4 876.3002 NA PeJP NA NA +PJ062493 GNMMMMY C35H56N8O10S4 876.3003 NA PeJP NA NA +PJ062494 SCCNQHW C35H48N12O11S2 876.3007 NA PeJP NA NA +PJ062495 SSSCNNEH C31H48N12O16S 876.3032 NA PeJP NA NA +PJ062496 GGGGGGSPCND C31H48N12O16S 876.3033 NA PeJP NA NA +PJ062497 CNNQMMH C32H52N12O11S3 876.3041 NA PeJP NA NA +PJ062498 CDMHWW C40H48N10O9S2 876.3048 NA PeJP NA NA +MJ096731 Trioxacarcin A C42H52O20 876.305194 NA MeJP NA NA +PJ062499 SCNNNYY C36H48N10O14S 876.3072 NA PeJP NA NA +PJ062500 SSDDMHW C36H48N10O14S 876.3073 NA PeJP NA NA +PJ062501 PTCCMHW C37H52N10O9S3 876.3081 NA PeJP NA NA +PJ062502 NNNEEEE C32H48N10O19 876.3097 NA PeJP NA NA +PJ062503 SSSSDEEH C32H48N10O19 876.3098 NA PeJP NA NA +PJ062504 SNEEMMH C33H52N10O14S2 876.3106 NA PeJP NA NA +PJ062505 CNEYYW C41H48N8O12S 876.3113 NA PeJP NA NA +PJ062506 ACCMMRY C34H56N10O9S4 876.3115 NA PeJP NA NA +PJ062507 GSPCCHHH C34H48N14O10S2 876.312 NA PeJP NA NA +PJ062508 SPDDEEW C37H48N8O17 876.3138 NA PeJP NA NA +PJ062509 GCNNNNNQ C30H48N14O15S 876.3145 NA PeJP NA NA +PJ062510 SSTCMYW C38H52N8O12S2 876.3146 NA PeJP NA NA +PJ062511 PPCDEMW C38H52N8O12S2 876.3147 NA PeJP NA NA +PJ062512 CCNNMHR C31H52N14O10S3 876.3153 NA PeJP NA NA +PJ062513 GGGGCCMHR C31H52N14O10S3 876.3154 NA PeJP NA NA +PJ062514 SSSSSEMY C34H52N8O17S 876.3171 NA PeJP NA NA +PJ062515 PNEEEEM C34H52N8O17S 876.3172 NA PeJP NA NA +PJ062516 SSQMMMY C35H56N8O12S3 876.318 NA PeJP NA NA +PJ062517 GSSSCNHW C35H48N12O13S 876.3185 NA PeJP NA NA +PJ062518 CCCKHHF C36H52N12O8S3 876.3194 NA PeJP NA NA +PJ062519 NNDDDER C31H48N12O18 876.321 NA PeJP NA NA +PJ062520 SCDEMHR C32H52N12O13S2 876.3219 NA PeJP NA NA +PJ062521 GPCNDWW C40H48N10O11S 876.3225 NA PeJP NA NA +PJ062522 PCCMMHR C33H56N12O8S4 876.3227 NA PeJP NA NA +PJ062523 GNNEEEW C36H48N10O16 876.325 NA PeJP NA NA +PJ062524 GSEMMHW C37H52N10O11S2 876.3259 NA PeJP NA NA +PJ062525 GCYYWW C45H48N8O9S 876.3265 NA PeJP NA NA +PJ062526 PDDDEMR C33H52N10O16S 876.3284 NA PeJP NA NA +PJ062527 GSSDYYW C41H48N8O14 876.329 NA PeJP NA NA +PJ062528 SSCMMRY C34H56N10O11S3 876.3292 NA PeJP NA NA +PJ062529 GAAEMMMH C34H56N10O11S3 876.3293 NA PeJP NA NA +PJ062530 SNDMHHH C34H48N14O12S 876.3297 NA PeJP NA NA +PJ062531 CQMFYW C42H52N8O9S2 876.3299 NA PeJP NA NA +PJ062532 SSNNNNNN C30H48N14O17 876.3322 NA PeJP NA NA +PJ062533 GGGGGGGGGGSSN C30H48N14O17 876.3323 NA PeJP NA NA +PJ062534 GPEEEMW C38H52N8O14S 876.3324 NA PeJP NA NA +PJ062535 GSSCCQHR C31H52N14O12S2 876.3331 NA PeJP NA NA +PJ062536 GNMMMFF C39H56N8O9S3 876.3333 NA PeJP NA NA +PJ062537 GCNNHFW C39H48N12O10S 876.3337 NA PeJP NA NA +PJ062538 GGGCNHFW C39H48N12O10S 876.3338 NA PeJP NA NA +PJ062539 VNEEEEE C34H52N8O19 876.3349 NA PeJP NA NA +PJ062540 GSSTTMMY C35H56N8O14S2 876.3358 NA PeJP NA NA +PJ062541 SNNNNEW C35H48N12O15 876.3362 NA PeJP NA NA +PJ062542 GNDDDRW C35H48N12O15 876.3363 NA PeJP NA NA +PJ062543 ACKMMMY C36H60N8O9S4 876.3366 NA PeJP NA NA +PJ062544 PPPVCCMM C36H60N8O9S4 876.3367 NA PeJP NA NA +PJ062545 SCCNKHW C36H52N12O10S2 876.3371 NA PeJP NA NA +PJ062546 GSPCNDER C32H52N12O15S 876.3396 NA PeJP NA NA +PJ062547 GGGGGGGGAAEM C32H52N12O15S 876.3397 NA PeJP NA NA +PJ062548 NNEEWW C40H48N10O13 876.3403 NA PeJP NA NA +PJ062549 GDMMMHR C33H56N12O10S3 876.3405 NA PeJP NA NA +PJ062550 SMMHWW C41H52N10O8S2 876.3411 NA PeJP NA NA +PJ062551 SSTEMHW C37H52N10O13S 876.3436 NA PeJP NA NA +PJ062552 GGGGSPEMW C37H52N10O13S 876.3437 NA PeJP NA NA +PJ062553 AAMMMHW C38H56N10O8S3 876.3445 NA PeJP NA NA +PJ062554 GTCHHHW C38H48N14O9S 876.345 NA PeJP NA NA +PJ062555 GEEEEER C33H52N10O18 876.3461 NA PeJP NA NA +PJ062556 GGNDKEEE C33H52N10O18 876.3462 NA PeJP NA NA +PJ062557 SDKEMMH C34H56N10O13S2 876.347 NA PeJP NA NA +PJ062558 GSSSEHHH C34H48N14O14 876.3475 NA PeJP NA NA +PJ062559 SQMYYW C42H52N8O11S 876.3476 NA PeJP NA NA +PJ062560 PEEMWW C42H52N8O11S 876.3477 NA PeJP NA NA +PJ062561 PCKMMMH C35H60N10O8S4 876.3479 NA PeJP NA NA +PJ062562 ANMMHHH C35H52N14O9S2 876.3483 NA PeJP NA NA +PJ062563 GQMMHHH C35H52N14O9S2 876.3484 NA PeJP NA NA +PJ062564 SSTQEYY C38H52N8O16 876.3501 NA PeJP NA NA +PJ062565 GVEEEEW C38H52N8O16 876.3502 NA PeJP NA NA +PJ062566 SSSSCNHR C31H52N14O14S 876.3508 NA PeJP NA NA +PJ062567 GGSSSSCHR C31H52N14O14S 876.3509 NA PeJP NA NA +PJ062568 SPPEMMW C39H56N8O11S2 876.351 NA PeJP NA NA +PJ062569 GSNNNWW C39H48N12O12 876.3515 NA PeJP NA NA +PJ062570 CCCQKHR C32H56N14O9S3 876.3517 NA PeJP NA NA +PJ062571 SSSTTTMY C35H56N8O16S 876.3535 NA PeJP NA NA +PJ062572 SSKMMMY C36H60N8O11S3 876.3544 NA PeJP NA NA +PJ062573 SPCNDRW C36H52N12O12S 876.3549 NA PeJP NA NA +PJ062574 GNEWWW C44H48N10O10 876.3555 NA PeJP NA NA +MJ096732 Methylenebisnorflavaspidic acid C47H56O16 876.356835 NA MeJP NA NA +PJ062575 SNNEEER C32H52N12O17 876.3574 NA PeJP NA NA +PJ062576 SSEMMHR C33H56N12O12S2 876.3582 NA PeJP NA NA +PJ062577 GGPNDMMR C33H56N12O12S2 876.3583 NA PeJP NA NA +PJ062578 NNNNQHH C33H48N16O13 876.3587 NA PeJP NA NA +PJ062579 GGGGGGGGGAHH C33H48N16O13 876.3588 NA PeJP NA NA +PJ062580 GSPNMWW C41H52N10O10S 876.3589 NA PeJP NA NA +PJ062581 GCMHHHR C34H52N16O8S2 876.3596 NA PeJP NA NA +PJ062582 EEEERW C37H52N10O15 876.3614 NA PeJP NA NA +PJ062583 ATTMMHW C38H56N10O10S2 876.3623 NA PeJP NA NA +PJ062584 SSSHHHW C38H48N14O11 876.3627 NA PeJP NA NA +PJ062585 GGGEHHHF C38H48N14O11 876.3628 NA PeJP NA NA +PJ062586 CQFFFW C46H52N8O8S 876.3629 NA PeJP NA NA +PJ062587 SPEEEMR C34H56N10O15S 876.3648 NA PeJP NA NA +PJ062588 VEEEWW C42H52N8O13 876.3654 NA PeJP NA NA +PJ062589 PPDMMMR C35H60N10O10S3 876.3656 NA PeJP NA NA +PJ062590 GGGPPCKMM C35H60N10O10S3 876.3657 NA PeJP NA NA +PJ062591 GCNNQRW C35H52N14O11S 876.3661 NA PeJP NA NA +PJ062592 CKMFYW C43H56N8O8S2 876.3663 NA PeJP NA NA +PJ062593 PDHHWW C43H48N12O9 876.3668 NA PeJP NA NA +PJ062594 SNDDDRR C31H52N14O16 876.3686 NA PeJP NA NA +PJ062595 SPVEEMW C39H56N8O13S 876.3688 NA PeJP NA NA +PJ062596 PCCNERR C32H56N14O11S2 876.3695 NA PeJP NA NA +PJ062597 PPCLMMW C40H60N8O8S3 876.3697 NA PeJP NA NA +PJ062598 CEHFRW C40H52N12O9S 876.3701 NA PeJP NA NA +PJ062599 NWWWW C48H48N10O7 876.3708 NA PeJP NA NA +PJ062600 VDKEEEE C35H56N8O18 876.3713 NA PeJP NA NA +PJ062601 PLQEEMM C36H60N8O13S2 876.3722 NA PeJP NA NA +PJ062602 GSNEERW C36H52N12O14 876.3726 NA PeJP NA NA +PJ062603 GGGGGGSDKW C36H52N12O14 876.3727 NA PeJP NA NA +PJ062604 GPCQMRW C37H56N12O9S2 876.3735 NA PeJP NA NA +PJ062605 AMHFWW C45H52N10O7S 876.3742 NA PeJP NA NA +MJ096733 Konbanamide C40H61BrN8O9 876.374488 NA MeJP NA NA +PJ062606 GQQEEMR C33H56N12O14S 876.376 NA PeJP NA NA +PJ062607 TQQEWW C41H52N10O12 876.3766 NA PeJP NA NA +PJ062608 NDKEWW C41H52N10O12 876.3767 NA PeJP NA NA +PJ062609 ATMMMHR C34H60N12O9S3 876.3769 NA PeJP NA NA +PJ062610 STCHHHR C34H52N16O10S 876.3773 NA PeJP NA NA +PJ062611 GGPCNHHR C34H52N16O10S 876.3774 NA PeJP NA NA +PJ062612 NHHHFW C42H48N14O8 876.378 NA PeJP NA NA +PJ062613 TTTTMHW C38H56N10O12S 876.38 NA PeJP NA NA +PJ062614 PPEYWW C46H52N8O10 876.3807 NA PeJP NA NA +7851 NA YGGFMRF 876.3824 ACE inhibitor Inhouse_peptide NA peptide +PJ062615 SVEEEER C34H56N10O17 876.3825 NA PeJP NA NA +PJ062616 PVDEMMR C35H60N10O12S2 876.3834 NA PeJP NA NA +PJ062617 SSNNNRW C35H52N14O13 876.3839 NA PeJP NA NA +PJ062618 SKMYYW C43H56N8O10S 876.384 NA PeJP NA NA +PJ062619 PPVCEFW C43H56N8O10S 876.3841 NA PeJP NA NA +PJ062620 GPCCRRW C36H56N14O8S2 876.3847 NA PeJP NA NA +PJ062621 ATLEEEW C39H56N8O15 876.3865 NA PeJP NA NA +PJ062622 SVVEEEW C39H56N8O15 876.3866 NA PeJP NA NA +PJ062623 GNDEMRR C32H56N14O13S 876.3872 NA PeJP NA NA +PJ062624 GGGDEMRR C32H56N14O13S 876.3873 NA PeJP NA NA +PJ062625 APLEMMW C40H60N8O10S2 876.3874 NA PeJP NA NA +PJ062626 SNERWW C40H52N12O11 876.3879 NA PeJP NA NA +PJ062627 CCCKKHR C33H60N14O8S3 876.3881 NA PeJP NA NA +PJ062628 VLQEEEM C36H60N8O15S 876.3899 NA PeJP NA NA +PJ062629 GPPTLMMM C37H64N8O10S3 876.3908 NA PeJP NA NA +PJ062630 SSPNMRW C37H56N12O11S 876.3912 NA PeJP NA NA +PJ062631 QQEMRW C37H56N12O11S 876.3913 NA PeJP NA NA +PJ062632 GDKWWW C45H52N10O9 876.3919 NA PeJP NA NA +PJ062633 ASSSSSSKH C33H56N12O16 876.3937 NA PeJP NA NA +PJ062634 SNDKEER C33H56N12O16 876.3938 NA PeJP NA NA +PJ062635 TTTMMHR C34H60N12O11S2 876.3946 NA PeJP NA NA +PJ062636 GGGGAPCCKK C34H60N12O11S2 876.3947 NA PeJP NA NA +PJ062637 GNQEHHR C34H52N16O12 876.3951 NA PeJP NA NA +PJ062638 VQQMWW C42H56N10O9S 876.3953 NA PeJP NA NA +PJ062639 GTQKEEW C38H56N10O14 876.3978 NA PeJP NA NA +PJ062640 GCDDRRR C31H56N16O12S 876.3985 NA PeJP NA NA +PJ062641 ALQMMHF C39H60N10O9S2 876.3986 NA PeJP NA NA +PJ062642 GPQKMMW C39H60N10O9S2 876.3987 NA PeJP NA NA +MJ096734 3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] C41H64O20 876.399094 NA MeJP NA NA +PJ062643 AAQQHHW C39H52N14O10 876.3991 NA PeJP NA NA +PJ062644 CKFFFW C47H56N8O7S 876.3993 NA PeJP NA NA +7431 coeliac toxic peptide QQPPFSEEEEPVLPQ 876.401 MH2+ Inhouse_peptide NA peptide +PJ062645 SSTTTLMH C35H60N10O14S 876.4011 NA PeJP NA NA +PJ062646 ALEEEMR C35H60N10O14S 876.4012 NA PeJP NA NA +PJ062647 SPPVEYW C43H56N8O12 876.4018 NA PeJP NA NA +PJ062648 SLKMMMH C36H64N10O9S3 876.402 NA PeJP NA NA +PJ062649 NDMRRW C36H56N14O10S 876.4025 NA PeJP NA NA +PJ062650 GSRWWW C44H52N12O8 876.4031 NA PeJP NA NA +PJ062651 GPPHHFW C44H52N12O8 876.4032 NA PeJP NA NA +PJ062652 SSNEERR C32H56N14O15 876.405 NA PeJP NA NA +PJ062653 GLLEEMW C40H60N8O12S 876.4052 NA PeJP NA NA +PJ062654 SPCQMRR C33H60N14O10S2 876.4059 NA PeJP NA NA +PJ062655 AQMRWW C41H56N12O8S 876.4065 NA PeJP NA NA +PJ062656 TLKEEEE C36H60N8O17 876.4077 NA PeJP NA NA +PJ062657 SPPTTLMM C37H64N8O12S2 876.4085 NA PeJP NA NA +PJ062658 PLKEEMM C37H64N8O12S2 876.4086 NA PeJP NA NA +PJ062659 GSDKERW C37H56N12O13 876.409 NA PeJP NA NA +PJ062660 GGGGGGGGAALF C37H56N12O13 876.4091 NA PeJP NA NA +PJ062661 GPCKMRW C38H60N12O8S2 876.4099 NA PeJP NA NA +PJ062662 NQHHRW C38H52N16O9 876.4104 NA PeJP NA NA +PJ062663 GQKEEMR C34H60N12O13S 876.4124 NA PeJP NA NA +PJ062664 TQKEWW C42H56N10O11 876.413 NA PeJP NA NA +PJ062665 GGGGAPLYW C42H56N10O11 876.4131 NA PeJP NA NA +PJ062666 CCKKKMH C35H64N12O8S3 876.4133 NA PeJP NA NA +MJ096735 Furanocandin C45H64O17 876.41435 NA MeJP NA NA +PJ062667 GSSSNNRR C31H56N16O14 876.4162 NA PeJP NA NA +PJ062668 GVQKEMW C39H60N10O11S 876.4164 NA PeJP NA NA +PJ062669 SKFFYW C47H56N8O9 876.417 NA PeJP NA NA +PJ062670 PLEFWW C47H56N8O9 876.4171 NA PeJP NA NA +MJ096736 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-(2-O-Sulfo-?-D-glucopyranoside), 28-O-?-D-glucopyranosyl ester C42H68O17S 876.417721 NA MeJP NA NA +MJ096737 3,23-Dihydroxy-12-ursen-28-oic acid, 28-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester, 23-O-sulfate C42H68O17S 876.417721 NA MeJP NA NA +MJ096738 Hederagenin 28-glycosyl esters; 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester, 23-O-sulfate C42H68O17S 876.417721 NA MeJP NA NA +PJ062671 ACRRWW C40H56N14O7S 876.4178 NA PeJP NA NA +PJ062672 TTLEEER C35H60N10O16 876.4189 NA PeJP NA NA +MJ096739 Naphthostatin; Naphthostatin A C51H60N2O11 876.41971 NA MeJP NA NA +MJ096740 Naphthostatin; Naphthostatin B C51H60N2O11 876.41971 NA MeJP NA NA +PJ062673 PTLEMMR C36H64N10O11S2 876.4198 NA PeJP NA NA +PJ062674 GSSERRW C36H56N14O12 876.4202 NA PeJP NA NA +PJ062675 ASSDRRW C36H56N14O12 876.4203 NA PeJP NA NA +PJ062676 LLEMWW C44H60N8O9S 876.4204 NA PeJP NA NA +PJ062677 MMHFRR C37H60N14O7S2 876.4211 NA PeJP NA NA +PJ062678 GPHHHHR C37H52N18O8 876.4216 NA PeJP NA NA +PJ062679 STLLEEW C40H60N8O14 876.4229 NA PeJP NA NA +PJ062680 GTQEMRR C33H60N14O12S 876.4236 NA PeJP NA NA +PJ062681 SPLLMMW C41H64N8O9S2 876.4238 NA PeJP NA NA +PJ062682 SDKRWW C41H56N12O10 876.4243 NA PeJP NA NA +PJ062683 VLKEEEM C37H64N8O14S 876.4263 NA PeJP NA NA +PJ062684 AAPLLMMM C38H68N8O9S3 876.4272 NA PeJP NA NA +PJ062685 QKEMRW C38H60N12O10S 876.4276 NA PeJP NA NA +PJ062686 GAKEMRW C38H60N12O10S 876.4277 NA PeJP NA NA +PJ062687 ATKWWW C46H56N10O8 876.4283 NA PeJP NA NA +PJ062688 STQKEER C34H60N12O15 876.4301 NA PeJP NA NA +PJ062689 GGTTKEER C34H60N12O15 876.4302 NA PeJP NA NA +PJ062690 SPQKMMR C35H64N12O10S2 876.431 NA PeJP NA NA +PJ062691 GNNNFRR C35H56N16O11 876.4315 NA PeJP NA NA +PJ062692 VQKMWW C43H60N10O8S 876.4317 NA PeJP NA NA +PJ062693 GTKKEEW C39H60N10O13 876.4342 NA PeJP NA NA +PJ062694 SCNNKRR C32H60N16O11S 876.4348 NA PeJP NA NA +PJ062695 GSDMRRR C32H60N16O11S 876.4349 NA PeJP NA NA +PJ062696 GPKKMMW C40H64N10O8S2 876.435 NA PeJP NA NA +PJ062697 SSRRWW C40H56N14O9 876.4355 NA PeJP NA NA +PJ062698 SLLEEMR C36H64N10O13S 876.4375 NA PeJP NA NA +PJ062699 GGVKKEEM C36H64N10O13S 876.4376 NA PeJP NA NA +PJ062700 GPLLEYW C44H60N8O11 876.4382 NA PeJP NA NA +PJ062701 PVLMMMR C37H68N10O8S3 876.4384 NA PeJP NA NA +PJ062702 TQMRRW C37H60N14O9S 876.4389 NA PeJP NA NA +PJ062703 VLHHWW C45H56N12O7 876.4395 NA PeJP NA NA +PJ062704 SSDKERR C33H60N14O14 876.4414 NA PeJP NA NA +PJ062705 SVLLEMW C41H64N8O11S 876.4416 NA PeJP NA NA +PJ062706 SPCKMRR C34H64N14O9S2 876.4422 NA PeJP NA NA +PJ062707 GVQMMRR C34H64N14O9S2 876.4423 NA PeJP NA NA +PJ062708 GSQHHRR C34H56N18O10 876.4427 NA PeJP NA NA +PJ062709 AKMRWW C42H60N12O7S 876.4429 NA PeJP NA NA +PJ062710 SSSLLLEE C37H64N8O16 876.4441 NA PeJP NA NA +PJ062711 LLLQEMM C38H68N8O11S2 876.4449 NA PeJP NA NA +PJ062712 GTTKERW C38H60N12O12 876.4454 NA PeJP NA NA +PJ062713 NKHHRW C39H56N16O8 876.4467 NA PeJP NA NA +PJ062714 GGKHHRW C39H56N16O8 876.4468 NA PeJP NA NA +PJ062715 GKKEEMR C35H64N12O12S 876.4488 NA PeJP NA NA +PJ062716 TKKEWW C43H60N10O10 876.4494 NA PeJP NA NA +PJ062717 TCRRRW C36H60N16O8S 876.4501 NA PeJP NA NA +MJ096741 Rifapentine C47H64N4O12 876.452073 NA MeJP NA NA +C08059 Rifapentine C47H64N4O12 876.4521 NA KEGG NA NA +PJ062718 SSSERRR C32H60N16O13 876.4526 NA PeJP NA NA +PJ062719 GVKKEMW C40H64N10O10S 876.4528 NA PeJP NA NA +PJ062720 PLLYWW C48H60N8O8 876.4534 NA PeJP NA NA +PJ062721 QMMRRR C33H64N16O8S2 876.4535 NA PeJP NA NA +PJ062722 SKKKEEE C36H64N10O15 876.4553 NA PeJP NA NA +PJ062723 VVLEMMR C37H68N10O10S2 876.4562 NA PeJP NA NA +PJ062724 GTTTRRW C37H60N14O11 876.4566 NA PeJP NA NA +PJ062725 GGGVEFRR C37H60N14O11 876.4567 NA PeJP NA NA +PJ062726 APLLMFW C45H64N8O8S 876.4568 NA PeJP NA NA +MJ096742 N-Deacyltunicamycin; N4''-(3-Hydroxy-14-methylhexadecanoyl) C40H68N4O17 876.457946 NA MeJP NA NA +PJ062727 PVLKEEY C41H64N8O13 876.4593 NA PeJP NA NA +PJ062728 GTKEMRR C34H64N14O11S 876.46 NA PeJP NA NA +PJ062729 ALLLMMW C42H68N8O8S2 876.4602 NA PeJP NA NA +PJ062730 TTKRWW C42H60N12O9 876.4607 NA PeJP NA NA +PJ062731 GTTLLLEM C38H68N8O13S 876.4627 NA PeJP NA NA +PJ062732 KKEMRW C39H64N12O9S 876.464 NA PeJP NA NA +PJ062733 LKHFFW C47H60N10O7 876.4647 NA PeJP NA NA +PJ062734 STKKEER C35H64N12O14 876.4665 NA PeJP NA NA +PJ062735 SPKKMMR C36H68N12O9S2 876.4674 NA PeJP NA NA +PJ062736 NEFRRR C36H60N16O10 876.4679 NA PeJP NA NA +PJ062737 VKKMWW C44H64N10O7S 876.4681 NA PeJP NA NA +PJ062738 SSLKKEW C40H64N10O12 876.4705 NA PeJP NA NA +PJ062739 VTTDKKW C40H64N10O12 876.4706 NA PeJP NA NA +PJ062740 GTTMRRR C33H64N16O10S 876.4712 NA PeJP NA NA +MJ096743 3,14-Clerodadiene-6,13-diol, 6-O-[6-Deoxy-?-D-glucopyranosyl-(1?2)-[6-deoxy-?-D-glucopyranosyl-(1?4)]-?-L-rhamnopyranoside], 13-O-?-L-arabinopyranoside C43H72O18 876.471865 NA MeJP NA NA +MJ096744 3,14-Clerodadiene-6,13-diol, 6-O-[?-D-Fucopyranosyl-(1?2)-[?-D-fucopyranosyl-(1?4)]-?-L-rhamnopyranoside], 13-O-?-L-arabinopyranoside C43H72O18 876.471865 NA MeJP NA NA +PJ062741 VNFRRW C41H60N14O8 876.4719 NA PeJP NA NA +PJ062742 VDKKKEM C37H68N10O12S 876.4739 NA PeJP NA NA +MJ096745 Neoviridogrisein I C45H64N8O10 876.47454 NA MeJP NA NA +MJ096746 Neoviridogrisein MP C45H64N8O10 876.47454 NA MeJP NA NA +PJ062743 SPVLLYW C45H64N8O10 876.4746 NA PeJP NA NA +PJ062744 TKMRRW C38H64N14O8S 876.4753 NA PeJP NA NA +PJ062745 STTKERR C34H64N14O13 876.4778 NA PeJP NA NA +PJ062746 TTLLLMW C42H68N8O10S 876.4779 NA PeJP NA NA +PJ062747 GAPLLLMY C42H68N8O10S 876.478 NA PeJP NA NA +PJ062748 GVKMMRR C35H68N14O8S2 876.4786 NA PeJP NA NA +PJ062749 GSKHHRR C35H60N18O9 876.4791 NA PeJP NA NA +PJ062750 STTTLLLE C38H68N8O15 876.4804 NA PeJP NA NA +PJ062751 LLLKEMM C39H72N8O10S2 876.4813 NA PeJP NA NA +PJ062752 SSTLKRW C39H64N12O11 876.4818 NA PeJP NA NA +PJ062753 GFRRRW C40H60N16O7 876.4831 NA PeJP NA NA +PJ062754 SVKKEMR C36H68N12O11S 876.4852 NA PeJP NA NA +PJ062755 GPVKKYW C44H64N10O9 876.4858 NA PeJP NA NA +C11959 Avermectin B2b C47H72O15 876.4871 NA KEGG NA NA +MJ096747 Avermectin B1a; 22,23-Dihydro, 23S-hydroxy, 3''-O-de-Me C47H72O15 876.487121 NA MeJP NA NA +MJ096748 Avermectin B1a; 22,23-Dihydro, 23S-hydroxy, 3'-O-de-Me C47H72O15 876.487121 NA MeJP NA NA +MJ096749 Avermectin B1b; 22,23-Dihydro, 23S-hydroxy C47H72O15 876.487121 NA MeJP NA NA +MJ096750 Pectenotoxin 1; Dihydro (?) C47H72O15 876.487121 NA MeJP NA NA +PJ062756 STTTRRR C33H64N16O12 876.489 NA PeJP NA NA +PJ062757 ATLKKMW C41H68N10O9S 876.4892 NA PeJP NA NA +PJ062758 LLLFWW C49H64N8O7 876.4898 NA PeJP NA NA +PJ062759 KMMRRR C34H68N16O7S2 876.4899 NA PeJP NA NA +PJ062760 GTTTLKKE C37H68N10O14 876.4917 NA PeJP NA NA +PJ062761 TLLLMMR C38H72N10O9S2 876.4926 NA PeJP NA NA +PJ062762 GPTKRRY C38H64N14O10 876.493 NA PeJP NA NA +PJ062763 VLLLQEY C42H68N8O12 876.4957 NA PeJP NA NA +PJ062764 SSLKMRR C35H68N14O10S 876.4964 NA PeJP NA NA +PJ062765 PKKRYW C43H64N12O8 876.497 NA PeJP NA NA +PJ062766 GALKFRW C43H64N12O8 876.4971 NA PeJP NA NA +PJ062767 SSTLLLLM C39H72N8O12S 876.4991 NA PeJP NA NA +PJ062768 GCKKKKW C40H68N12O8S 876.5004 NA PeJP NA NA +PJ062769 SSSSLLKR C36H68N12O13 876.5029 NA PeJP NA NA +PJ062770 ALKKMMR C37H72N12O8S2 876.5038 NA PeJP NA NA +PJ062771 VQRRRY C37H64N16O9 876.5043 NA PeJP NA NA +PJ062772 TTTLKKW C41H68N10O11 876.5069 NA PeJP NA NA +PJ062773 GGGGLLLKY C41H68N10O11 876.507 NA PeJP NA NA +PJ062774 TLKKKEM C38H72N10O11S 876.5103 NA PeJP NA NA +PJ062775 GLLLLYW C46H68N8O9 876.511 NA PeJP NA NA +PJ062776 GSSSKKKR C35H68N14O12 876.5142 NA PeJP NA NA +PJ062777 PLLLKMY C43H72N8O9S 876.5143 NA PeJP NA NA +PJ062778 ARRRRY C36H64N18O8 876.5155 NA PeJP NA NA +PJ062779 SPVKKRY C40H68N12O10 876.5182 NA PeJP NA NA +PJ062780 TTLKKMR C37H72N12O10S 876.5215 NA PeJP NA NA +PJ062781 GGTKKKKM C37H72N12O10S 876.5216 NA PeJP NA NA +PJ062782 GVLKKFW C45H68N10O8 876.5222 NA PeJP NA NA +PJ062783 VVLLMFR C42H72N10O8S 876.5256 NA PeJP NA NA +PJ062784 PHRRRR C35H64N20O7 876.5267 NA PeJP NA NA +PJ062785 SSTTLLKK C38H72N10O13 876.5281 NA PeJP NA NA +PJ062786 VLKKKMM C39H76N10O8S2 876.5289 NA PeJP NA NA +PJ062787 AALKRRY C39H68N14O9 876.5294 NA PeJP NA NA +PJ062788 VLLLKEY C43H72N8O11 876.5321 NA PeJP NA NA +PJ062789 SCKKKKR C36H72N14O9S 876.5328 NA PeJP NA NA +PJ062790 LKKFRW C44H68N12O7 876.5334 NA PeJP NA NA +PJ062791 GSTTKKKK C37H72N12O12 876.5393 NA PeJP NA NA +PJ062792 VKRRRY C38H68N16O8 876.5406 NA PeJP NA NA +PJ062793 PPPVRRR C38H68N16O8 876.5407 NA PeJP NA NA +PJ062794 SLLLLRY C42H72N10O10 876.5433 NA PeJP NA NA +PJ062795 PLLLKFF C47H72N8O8 876.5474 NA PeJP NA NA +PJ062796 LLLLKMF C44H76N8O8S 876.5507 NA PeJP NA NA +PJ062797 GLLKKRY C41H72N12O9 876.5546 NA PeJP NA NA +MJ096751 Megalomicin A C44H80N2O15 876.555869 NA MeJP NA NA +C11985 Megalomicin A C44H80N2O15 876.5559 NA KEGG NA NA +PJ062798 SKKKKKM C38H76N12O9S 876.5579 NA PeJP NA NA +MJ096752 Antibiotic C 076; Antibiotic C 076Ic C49H80O13 876.559892 NA MeJP NA NA +PJ062799 PVLKKHR C40H72N14O8 876.5658 NA PeJP NA NA +PJ062800 VVLKKKY C43H76N10O9 876.5797 NA PeJP NA NA +PJ062801 LLLLLHR C42H76N12O8 876.591 NA PeJP NA NA +PJ062802 PPVLLLLL C45H80N8O9 876.6049 NA PeJP NA NA +HMDB05447 TG(16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H96O6 876.7207 http://www.hmdb.ca/metabolites/HMDB05447 HMDB NA NA +HMDB05447 TG(16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H96O6 876.7207 HMDB05447 PFEM_hmdb_metabocards_official NA NA +HMDB05447 TG(16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H96O6 876.720703 NA HMDB2010 NA NA +HMDB10475 TG(18:2(9Z,12Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C57H96O6 876.720703 NA HMDB2010 NA NA +HMDB10489 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso3] C57H96O6 876.720703 NA HMDB2010 NA NA +HMDB10490 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso3] C57H96O6 876.720703 NA HMDB2010 NA NA +HMDB10502 TG(18:3(9Z,12Z,15Z)/18:1(11Z)/18:3(9Z,12Z,15Z))[iso3] C57H96O6 876.720703 NA HMDB2010 NA NA +HMDB10503 TG(18:3(9Z,12Z,15Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso3] C57H96O6 876.720703 NA HMDB2010 NA NA +HMDB10519 TG(20:4(5Z,8Z,11Z,14Z)/16:0/18:3(9Z,12Z,15Z))[iso6] C57H96O6 876.720703 NA HMDB2010 NA NA +MJ096753 Polyprenol; Betulaprenol 12, Ac C62H100O2 876.772332 NA MeJP NA NA +7448 coeliac toxic peptide GSVQPQQQLPQFEIR 876.947 MH2+ Inhouse_peptide NA peptide +C07347 Thiophene-2-carbonyl-CoA C26H38N7O17P3S2 877.0978 NA KEGG NA NA +MetaCyc04224 thiophene-2-carbonyl-CoA [[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-2,2-dimethyl-3-[2-[2-(2-thienylcarbonylsulfanyl) ethylcarbamoyl]ethylcarbamoyl]propoxy]-phosphinoyl]oxy- phosphinoyl]oxymethyl]tetrahydrofuran-3-yl]oxyphosphonic acid;] C26H38N7O17P3S2 877.097844 NA metacyc NA NA +C03724 S-(5-Hydroxy-2-furoyl)-CoA C26H38N7O19P3S 877.1156 NA KEGG NA NA +MetaCyc04225 S-(5-hydroxy-2-furoyl)-CoA [[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-3-[2-[2-[(5-hydroxy-2-furyl)carbonylsulfanyl] ethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]- phosphinoyl]oxy-phosphinoyl]oxymethyl]tetrahydrofuran-3-yl] oxyphosphonic acid;] C26H38N7O19P3S1 877.115602 NA metacyc NA NA +PJ062803 CCCCCNDD C27H43N9O14S5 877.1533 NA PeJP NA NA +PJ062804 GGCCCCCDD C27H43N9O14S5 877.1534 NA PeJP NA NA +PJ062805 GSPCCCCCC C28H47N9O11S6 877.172 NA PeJP NA NA +MetaCyc04226 cyclohexane-1-carboxyl-CoA [cyclohexane-1-carbonyl-CoA;] C28H46N7O17P3S1 877.188373 NA metacyc NA NA +C09823 Cyclohexane-1-carboxyl-CoA C28H46N7O17P3S 877.1884 NA KEGG NA NA +C11949 3-Isopropylbut-3-enoyl-CoA C28H46N7O17P3S 877.1884 NA KEGG NA NA +C16470 5-Methylhex-4-enoyl-CoA C28H46N7O17P3S 877.1884 NA KEGG NA NA +PJ062806 SCCCCNDM C28H47N9O13S5 877.1897 NA PeJP NA NA +PJ062807 GTCCCCCW C32H47N9O10S5 877.205 NA PeJP NA NA +PJ062808 GSSSCCCCE C28H47N9O15S4 877.2075 NA PeJP NA NA +PJ062809 GCCCCQMM C29H51N9O10S6 877.2084 NA PeJP NA NA +PJ062810 GCCCCCMR C28H51N11O9S6 877.2196 NA PeJP NA NA +PJ062811 SSSCCCCW C32H47N9O12S4 877.2227 NA PeJP NA NA +PJ062812 GGGCCCCEF C32H47N9O12S4 877.2228 NA PeJP NA NA +PJ062813 SSSSSCCCD C28H47N9O17S3 877.2252 NA PeJP NA NA +PJ062814 SSCCCNMM C29H51N9O12S5 877.2261 NA PeJP NA NA +PJ062815 CCDDEMY C33H47N7O15S3 877.2293 NA PeJP NA NA +PJ062816 GCCNDDDH C30H43N11O16S2 877.2331 NA PeJP NA NA +PJ062817 CCEMMMM C31H55N7O10S6 877.2335 NA PeJP NA NA +PJ062818 STCCCCCR C28H51N11O11S5 877.2373 NA PeJP NA NA +PJ062819 CCCCNFW C36H47N9O9S4 877.238 NA PeJP NA NA +FL7AAAGL0071 Pelargonidin 3-glucoside-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside) C40H45O22 877.24024 215237-91-5 knapsack NA NA +PJ062820 GSCCCNEY C32H47N9O14S3 877.2405 NA PeJP NA NA +PJ062821 GSSSTCCCM C29H51N9O14S4 877.2439 NA PeJP NA NA +PJ062822 GCCCCKMM C30H55N9O9S6 877.2447 NA PeJP NA NA +PJ062823 CCDEMMF C34H51N7O12S4 877.2479 NA PeJP NA NA +PJ062824 SPCCCNDH C31H47N11O13S3 877.2517 NA PeJP NA NA +PJ062825 SCCCNYW C36H47N9O11S3 877.2557 NA PeJP NA NA +PJ062826 GGSCCCYW C36H47N9O11S3 877.2558 NA PeJP NA NA +PJ062827 SSSCCNDY C32H47N9O16S2 877.2582 NA PeJP NA NA +PJ062828 GGSSSCCDY C32H47N9O16S2 877.2583 NA PeJP NA NA +PJ062829 CCNNMMY C33H51N9O11S4 877.2591 NA PeJP NA NA +PJ062830 SSSSSSCCM C29H51N9O16S3 877.2616 NA PeJP NA NA +PJ062831 PCCDDYY C37H47N7O14S2 877.2623 NA PeJP NA NA +PJ062832 STCCCCKM C30H55N9O11S5 877.2625 NA PeJP NA NA +PJ062833 GCCCNNQH C30H47N13O12S3 877.263 NA PeJP NA NA +PJ062834 SCDEMMY C34H51N7O14S3 877.2656 NA PeJP NA NA +PJ062835 PCCMMMY C35H55N7O9S5 877.2665 NA PeJP NA NA +PJ062836 CCCEHHF C35H47N11O10S3 877.267 NA PeJP NA NA +PJ062837 GNNNDDDD C30H43N11O20 877.2686 NA PeJP NA NA +PJ062838 GGGGGGGDDDD C30H43N11O20 877.2687 NA PeJP NA NA +PJ062839 GSCNDDMH C31H47N11O15S2 877.2695 NA PeJP NA NA +PJ062840 TCMMMMM C32H59N7O9S6 877.2699 NA PeJP NA NA +PJ062841 CCCCQRY C32H51N11O10S4 877.2704 NA PeJP NA NA +PJ062842 DDDDDHF C35H43N9O18 877.2726 NA PeJP NA NA +PJ062843 CCNNDFY C36H47N9O13S2 877.2735 NA PeJP NA NA +PJ062844 GPNDDDDM C32H47N9O18S 877.276 NA PeJP NA NA +PJ062845 GSSCCQMY C33H51N9O13S3 877.2769 NA PeJP NA NA +PJ062846 CDDDHHH C33H43N13O14S 877.2774 NA PeJP NA NA +PJ062847 GDDDMYY C37H47N7O16S 877.28 NA PeJP NA NA +PJ062848 SSCCNNNH C30H47N13O14S2 877.2807 NA PeJP NA NA +PJ062849 PCCDMFY C38H51N7O11S3 877.2809 NA PeJP NA NA +PJ062850 GPCCCCHR C31H51N13O9S4 877.2816 NA PeJP NA NA +PJ062851 GDMMMMY C35H55N7O11S4 877.2843 NA PeJP NA NA +PJ062852 SCCNEHW C35H47N11O12S2 877.2847 NA PeJP NA NA +PJ062853 GGSCCEHW C35H47N11O12S2 877.2848 NA PeJP NA NA +PJ062854 SSSCNDEH C31H47N11O17S 877.2872 NA PeJP NA NA +PJ062855 GGSSTCDDH C31H47N11O17S 877.2873 NA PeJP NA NA +PJ062856 GSSCCCRY C32H51N11O12S3 877.2881 NA PeJP NA NA +PJ062857 PCNDDEW C36H47N9O15S 877.2913 NA PeJP NA NA +PJ062858 CCNNMFF C37H51N9O10S3 877.2921 NA PeJP NA NA +PJ062859 GGGGCCMFF C37H51N9O10S3 877.2922 NA PeJP NA NA +PJ062860 NNDEEEE C32H47N9O20 877.2938 NA PeJP NA NA +PJ062861 SSSSCNMY C33H51N9O15S2 877.2946 NA PeJP NA NA +PJ062862 GGSPPCDDM C33H51N9O15S2 877.2947 NA PeJP NA NA +PJ062863 CDEYYW C41H47N7O13S 877.2953 NA PeJP NA NA +PJ062864 CCCQKMY C34H55N9O10S4 877.2955 NA PeJP NA NA +PJ062865 SSDDEYY C37H47N7O18 877.2978 NA PeJP NA NA +PJ062866 GCNNNNNE C30H47N13O16S 877.2985 NA PeJP NA NA +PJ062867 SPCDMYY C38H51N7O13S2 877.2987 NA PeJP NA NA +PJ062868 CCNDMHR C31H51N13O11S3 877.2993 NA PeJP NA NA +PJ062869 GGCCDMHR C31H51N13O11S3 877.2994 NA PeJP NA NA +PJ062870 PCCMMFF C39H55N7O8S4 877.2995 NA PeJP NA NA +PJ062871 GSCCHWW C39H47N11O9S2 877.3 NA PeJP NA NA +PJ062872 PDEEEEM C34H51N7O18S 877.3012 NA PeJP NA NA +PJ062873 SSEMMMY C35H55N7O13S3 877.302 NA PeJP NA NA +PJ062874 GSSSCDHW C35H47N11O14S 877.3025 NA PeJP NA NA +PJ062875 GMMMMMF C36H59N7O8S5 877.3029 NA PeJP NA NA +PJ062876 GCNMMHW C36H51N11O9S3 877.3034 NA PeJP NA NA +PJ062877 NDDDDER C31H47N11O19 877.305 NA PeJP NA NA +PJ062878 GSSNDMMH C32H51N11O14S2 877.3059 NA PeJP NA NA +PJ062879 GPCDDWW C40H47N9O12S 877.3065 NA PeJP NA NA +PJ062880 CCCCKRY C33H55N11O9S4 877.3067 NA PeJP NA NA +PJ062881 PPPCCCCR C33H55N11O9S4 877.3068 NA PeJP NA NA +PJ062882 CCNQHHH C33H47N15O10S2 877.3072 NA PeJP NA NA +PJ062883 GNDEEEW C36H47N9O17 877.309 NA PeJP NA NA +PJ062884 GSPPCCEW C37H51N9O12S2 877.3099 NA PeJP NA NA +PJ062885 GSSSSSTCY C33H51N9O17S 877.3124 NA PeJP NA NA +PJ062886 GDDDFFY C41H47N7O15 877.3131 NA PeJP NA NA +PJ062887 GSSCCKMY C34H55N9O12S3 877.3133 NA PeJP NA NA +PJ062888 CNNNNNW C34H47N13O13S 877.3137 NA PeJP NA NA +PJ062889 GGGGGGCNNW C34H47N13O13S 877.3138 NA PeJP NA NA +PJ062890 CEMFYW C42H51N7O10S2 877.3139 NA PeJP NA NA +PJ062891 ACCCHRW C35H51N13O8S3 877.3146 NA PeJP NA NA +PJ062892 SSNNNNND C30H47N13O18 877.3162 NA PeJP NA NA +PJ062893 GGGGGGSSNND C30H47N13O18 877.3163 NA PeJP NA NA +PJ062894 GSEEMYY C38H51N7O15S 877.3164 NA PeJP NA NA +PJ062895 GSSCCEHR C31H51N13O13S2 877.3171 NA PeJP NA NA +PJ062896 APCMMYY C39H55N7O10S3 877.3173 NA PeJP NA NA +PJ062897 GCNDHFW C39H47N11O11S 877.3178 NA PeJP NA NA +PJ062898 VDEEEEE C34H51N7O20 877.3189 NA PeJP NA NA +PJ062899 GDDDDRW C35H47N11O16 877.3203 NA PeJP NA NA +PJ062900 ATMMMMY C36H59N7O10S4 877.3206 NA PeJP NA NA +PJ062901 SSCQMHW C36H51N11O11S2 877.3211 NA PeJP NA NA +PJ062902 GGGGGGPCMW C36H51N11O11S2 877.3212 NA PeJP NA NA +PJ062903 GSPCDDER C32H51N11O16S 877.3236 NA PeJP NA NA +PJ062904 GGGGGGQEEM C32H51N11O16S 877.3237 NA PeJP NA NA +PJ062905 NDEEWW C40H47N9O14 877.3243 NA PeJP NA NA +PJ062906 GPPCCDMR C33H55N11O11S3 877.3245 NA PeJP NA NA +PJ062907 GSSCNHHH C33H47N15O12S 877.325 NA PeJP NA NA +PJ062908 SPPCCWW C41H51N9O9S2 877.3251 NA PeJP NA NA +PJ062909 PTCDQEW C37H51N9O14S 877.3276 NA PeJP NA NA +PJ062910 SPNDEMW C37H51N9O14S 877.3277 NA PeJP NA NA +PJ062911 PPCNMMW C38H55N9O9S3 877.3285 NA PeJP NA NA +PJ062912 SSSSSSSSY C33H51N9O19 877.3301 NA PeJP NA NA +PJ062913 TNQEEEE C33H51N9O19 877.3302 NA PeJP NA NA +PJ062914 SSSTCCKY C34H55N9O14S2 877.331 NA PeJP NA NA +PJ062915 GSPNDDHH C34H47N13O15 877.3315 NA PeJP NA NA +PJ062916 SEMYYW C42H51N7O12S 877.3317 NA PeJP NA NA +PJ062917 CCCKKMY C35H59N9O9S4 877.3319 NA PeJP NA NA +PJ062918 SSCCHRW C35H51N13O10S2 877.3324 NA PeJP NA NA +PJ062919 SSTEEYY C38H51N7O17 877.3342 NA PeJP NA NA +PJ062920 SSSSCDHR C31H51N13O15S 877.3349 NA PeJP NA NA +PJ062921 AAEMMYY C39H55N7O12S2 877.335 NA PeJP NA NA +PJ062922 GSNNDWW C39H47N11O13 877.3355 NA PeJP NA NA +PJ062923 SCNMMHR C32H55N13O10S3 877.3357 NA PeJP NA NA +PJ062924 GCMHHFF C40H51N11O8S2 877.3364 NA PeJP NA NA +PJ062925 TTTMMMY C36H59N7O12S3 877.3384 NA PeJP NA NA +PJ062926 SPCDDRW C36H51N11O13S 877.3389 NA PeJP NA NA +PJ062927 GDEWWW C44H47N9O11 877.3395 NA PeJP NA NA +PJ062928 ACCKMHW C37H55N11O8S3 877.3398 NA PeJP NA NA +PJ062929 SNDEEER C32H51N11O18 877.3414 NA PeJP NA NA +PJ062930 PNDDMMR C33H55N11O13S2 877.3423 NA PeJP NA NA +PJ062931 NNNNEHH C33H47N15O14 877.3427 NA PeJP NA NA +PJ062932 GGGGGGNEHH C33H47N15O14 877.3428 NA PeJP NA NA +PJ062933 GSPDMWW C41H51N9O11S 877.3429 NA PeJP NA NA +PJ062934 CCNKHHH C34H51N15O9S2 877.3436 NA PeJP NA NA +PJ062935 GTQEEEW C37H51N9O16 877.3454 NA PeJP NA NA +PJ062936 GSCNNNNR C30H51N15O14S 877.3461 NA PeJP NA NA +PJ062937 GPQEMMW C38H55N9O11S2 877.3463 NA PeJP NA NA +PJ062938 GDEHHHF C38H47N13O12 877.3468 NA PeJP NA NA +PJ062939 PCFYYW C46H51N7O9S 877.3469 NA PeJP NA NA +PJ062940 TCCCHRR C31H55N15O9S3 877.347 NA PeJP NA NA +PJ062941 MMHHHW C39H51N13O7S2 877.3476 NA PeJP NA NA +PJ062942 VNQEEEM C34H55N9O16S 877.3488 NA PeJP NA NA +PJ062943 GSPEYYY C42H51N7O14 877.3494 NA PeJP NA NA +PJ062944 SLEMMMH C35H59N9O11S3 877.3496 NA PeJP NA NA +PJ062945 TLDMMMH C35H59N9O11S3 877.3497 NA PeJP NA NA +PJ062946 GCNNERW C35H51N13O12S 877.3501 NA PeJP NA NA +PJ062947 CLMYYW C43H55N7O9S2 877.3503 NA PeJP NA NA +PJ062948 ACHHHHH C36H47N17O8S 877.3515 NA PeJP NA NA +PJ062949 SDDDDRR C31H51N13O17 877.3526 NA PeJP NA NA +PJ062950 GGGGGGGGGGSTT C31H51N13O17 877.3527 NA PeJP NA NA +PJ062951 ATTEMYY C39H55N7O14S 877.3528 NA PeJP NA NA +PJ062952 PCCDERR C32H55N13O12S2 877.3535 NA PeJP NA NA +PJ062953 GVMMMFY C40H59N7O9S3 877.3537 NA PeJP NA NA +PJ062954 NNQMWW C40H51N11O10S 877.3541 NA PeJP NA NA +PJ062955 GGGGQMWW C40H51N11O10S 877.3542 NA PeJP NA NA +PJ062956 DWWWW C48H47N9O8 877.3548 NA PeJP NA NA +PJ062957 TLEEEEE C35H55N7O19 877.3553 NA PeJP NA NA +PJ062958 PLEEEMM C36H59N7O14S2 877.3562 NA PeJP NA NA +PJ062959 ASDDERW C36H51N11O15 877.3566 NA PeJP NA NA +PJ062960 GSDEERW C36H51N11O15 877.3567 NA PeJP NA NA +PJ062961 GPCEMRW C37H55N11O10S2 877.3575 NA PeJP NA NA +PJ062962 GNNNHHW C37H47N15O11 877.358 NA PeJP NA NA +PJ062963 PTCWWW C45H51N9O8S 877.3582 NA PeJP NA NA +PJ062964 GQEEEMR C33H55N11O15S 877.36 NA PeJP NA NA +PJ062965 NQQYYY C41H51N9O13 877.3606 NA PeJP NA NA +PJ062966 TQEEWW C41H51N9O13 877.3607 NA PeJP NA NA +PJ062967 GSPPCMMR C34H59N11O10S3 877.3609 NA PeJP NA NA +PJ062968 PCNDHHR C34H51N15O11S 877.3614 NA PeJP NA NA +PJ062969 PQMMWW C42H55N9O8S2 877.3615 NA PeJP NA NA +PJ062970 DHHHFW C42H47N13O9 877.362 NA PeJP NA NA +PJ062971 GVQEEMW C38H55N9O13S 877.364 NA PeJP NA NA +PJ062972 GGGLEEMW C38H55N9O13S 877.3641 NA PeJP NA NA +PJ062973 SPYYYW C46H51N7O11 877.3647 NA PeJP NA NA +PJ062974 MMMFRY C39H59N9O8S3 877.3649 NA PeJP NA NA +PJ062975 CNNRWW C39H51N13O9S 877.3654 NA PeJP NA NA +PJ062976 SQKEEEE C34H55N9O18 877.3665 NA PeJP NA NA +PJ062977 GGTKEEEE C34H55N9O18 877.3666 NA PeJP NA NA +PJ062978 PNKEEMM C35H59N9O13S2 877.3674 NA PeJP NA NA +PJ062979 SSNNDRW C35H51N13O14 877.3679 NA PeJP NA NA +PJ062980 AAPMYYY C43H55N7O11S 877.3681 NA PeJP NA NA +PJ062981 VVMMMMH C36H63N9O8S4 877.3683 NA PeJP NA NA +PJ062982 ACNMHFR C36H55N13O9S2 877.3687 NA PeJP NA NA +PJ062983 GCQMHFR C36H55N13O9S2 877.3688 NA PeJP NA NA +PJ062984 SSHHHHH C36H47N17O10 877.3692 NA PeJP NA NA +PJ062985 TTTTEYY C39H55N7O16 877.3705 NA PeJP NA NA +PJ062986 PVEEEEF C39H55N7O16 877.3706 NA PeJP NA NA +PJ062987 SSSSSMHR C32H55N13O14S 877.3712 NA PeJP NA NA +PJ062988 GDDEMRR C32H55N13O14S 877.3713 NA PeJP NA NA +PJ062989 GTLMMYY C40H59N7O11S2 877.3714 NA PeJP NA NA +PJ062990 SDERWW C40H51N11O12 877.3719 NA PeJP NA NA +PJ062991 TCCKMHR C33H59N13O9S3 877.3721 NA PeJP NA NA +PJ062992 PCMRWW C41H55N11O7S2 877.3728 NA PeJP NA NA +PJ062993 VLEEEEM C36H59N7O16S 877.3739 NA PeJP NA NA +PJ062994 QEEMRW C37H55N11O12S 877.3753 NA PeJP NA NA +PJ062995 ATEWWW C45H51N9O10 877.3759 NA PeJP NA NA +PJ062996 STQEEER C33H55N11O17 877.3778 NA PeJP NA NA +PJ062997 SPQEMMR C34H59N11O12S2 877.3786 NA PeJP NA NA +PJ062998 GGPTEMMR C34H59N11O12S2 877.3787 NA PeJP NA NA +PJ062999 GNEEHHR C34H51N15O13 877.3791 NA PeJP NA NA +PJ063000 VQEMWW C42H55N9O10S 877.3793 NA PeJP NA NA +PJ063001 GCCHFRR C35H55N15O8S2 877.38 NA PeJP NA NA +PJ063002 GTKEEEW C38H55N9O15 877.3818 NA PeJP NA NA +PJ063003 SCNNERR C31H55N15O13S 877.3825 NA PeJP NA NA +PJ063004 GPKEMMW C39H59N9O10S2 877.3827 NA PeJP NA NA +PJ063005 AAQEHHW C39H51N13O11 877.3831 NA PeJP NA NA +PJ063006 GGGVEHHW C39H51N13O11 877.3832 NA PeJP NA NA +PJ063007 CLFFYW C47H55N7O8S 877.3833 NA PeJP NA NA +PJ063008 VNKEEEM C35H59N9O15S 877.3852 NA PeJP NA NA +PJ063009 LQEYYY C43H55N7O13 877.3858 NA PeJP NA NA +PJ063010 GSPPKMMM C36H63N9O10S3 877.386 NA PeJP NA NA +PJ063011 GGAAPLMMM C36H63N9O10S3 877.3861 NA PeJP NA NA +PJ063012 DDMRRW C36H55N13O11S 877.3865 NA PeJP NA NA +PJ063013 GVMMFFF C44H59N7O8S2 877.3867 NA PeJP NA NA +PJ063014 NQHFFW C44H51N11O9 877.3872 NA PeJP NA NA +PJ063015 SSDEERR C32H55N13O16 877.389 NA PeJP NA NA +PJ063016 STTLMYY C40H59N7O13S 877.3892 NA PeJP NA NA +PJ063017 SPCEMRR C33H59N13O11S2 877.3899 NA PeJP NA NA +PJ063018 SNNNHHR C33H51N17O12 877.3903 NA PeJP NA NA +PJ063019 GGSNNHHR C33H51N17O12 877.3904 NA PeJP NA NA +PJ063020 AEMRWW C41H55N11O9S 877.3905 NA PeJP NA NA +PJ063021 GPFWWW C49H51N9O7 877.3912 NA PeJP NA NA +PJ063022 GTTEERW C37H55N11O14 877.393 NA PeJP NA NA +PJ063023 GGGGGGPKEY C37H55N11O14 877.3931 NA PeJP NA NA +PJ063024 GPTMMRW C38H59N11O9S2 877.3939 NA PeJP NA NA +PJ063025 NEHHRW C38H51N15O10 877.3944 NA PeJP NA NA +PJ063026 GLMWWW C46H55N9O7S 877.3946 NA PeJP NA NA +PJ063027 GKEEEMR C34H59N11O14S 877.3964 NA PeJP NA NA +PJ063028 SPTTTWW C42H55N9O12 877.397 NA PeJP NA NA +MJ096754 Yunnanin F C42H55N9O12 877.397018 NA MeJP NA NA +PJ063029 TKEEWW C42H55N9O12 877.3971 NA PeJP NA NA +PJ063030 PVNMMMR C35H63N11O9S3 877.3973 NA PeJP NA NA +PJ063031 GSCNRRW C35H55N15O10S 877.3977 NA PeJP NA NA +PJ063032 GGGSCRRW C35H55N15O10S 877.3978 NA PeJP NA NA +PJ063033 PKMMWW C43H59N9O7S2 877.3979 NA PeJP NA NA +PJ063034 VNHHWW C43H51N13O8 877.3984 NA PeJP NA NA +PJ063035 GSSSNDRR C31H55N15O15 877.4002 NA PeJP NA NA +PJ063036 GGGSSSDRR C31H55N15O15 877.4003 NA PeJP NA NA +PJ063037 GVKEEMW C39H59N9O12S 877.4004 NA PeJP NA NA +PJ063038 ALYYYW C47H55N7O10 877.4011 NA PeJP NA NA +PJ063039 APCKHHW C40H55N13O8S 877.4018 NA PeJP NA NA +PJ063040 SKKEEEE C35H59N9O17 877.4029 NA PeJP NA NA +PJ063041 PDKKEMM C36H63N9O12S2 877.4038 NA PeJP NA NA +PJ063042 SSSQQRW C36H55N13O13 877.4043 NA PeJP NA NA +PJ063043 AALMFYY C44H59N7O10S 877.4044 NA PeJP NA NA +PJ063044 PPCCFRR C37H59N13O8S2 877.4051 NA PeJP NA NA +PJ063045 PVLEEEY C40H59N7O15 877.407 NA PeJP NA NA +PJ063046 GTEEMRR C33H59N13O13S 877.4076 NA PeJP NA NA +PJ063047 GGGGSKEMR C33H59N13O13S 877.4077 NA PeJP NA NA +PJ063048 TTERWW C41H55N11O11 877.4083 NA PeJP NA NA +PJ063049 GPMMMRR C34H63N13O8S3 877.4085 NA PeJP NA NA +PJ063050 GHHRWW C42H51N15O7 877.4096 NA PeJP NA NA +PJ063051 SPTTMRW C38H59N11O11S 877.4116 NA PeJP NA NA +PJ063052 KEEMRW C38H59N11O11S 877.4117 NA PeJP NA NA +PJ063053 STLWWW C46H55N9O9 877.4123 NA PeJP NA NA +PJ063054 GCCQRRR C31H59N17O9S2 877.4124 NA PeJP NA NA +PJ063055 SSPTTTER C34H59N11O16 877.4141 NA PeJP NA NA +PJ063056 STKEEER C34H59N11O16 877.4142 NA PeJP NA NA +PJ063057 SPKEMMR C35H63N11O11S2 877.415 NA PeJP NA NA +PJ063058 GGGGGALKMM C35H63N11O11S2 877.4151 NA PeJP NA NA +PJ063059 GNNDFRR C35H55N15O12 877.4155 NA PeJP NA NA +PJ063060 VKEMWW C43H59N9O9S 877.4157 NA PeJP NA NA +PJ063061 SSLKEEW C39H59N9O14 877.4182 NA PeJP NA NA +PJ063062 SSNQMRR C32H59N15O12S 877.4189 NA PeJP NA NA +PJ063063 AVLQMMW C40H63N9O9S2 877.419 NA PeJP NA NA +PJ063064 SPVKMMW C40H63N9O9S2 877.4191 NA PeJP NA NA +PJ063065 NQQFRW C40H55N13O10 877.4195 NA PeJP NA NA +PJ063066 SPTTTLQM C36H63N9O14S 877.4215 NA PeJP NA NA +PJ063067 VDKKEEM C36H63N9O14S 877.4216 NA PeJP NA NA +PJ063068 LKEYYY C44H59N7O12 877.4222 NA PeJP NA NA +PJ063069 PLQKMMM C37H67N9O9S3 877.4224 NA PeJP NA NA +PJ063070 TEMRRW C37H59N13O10S 877.4229 NA PeJP NA NA +PJ063071 APRYWW C45H55N11O8 877.4235 NA PeJP NA NA +PJ063072 GPPVHWW C45H55N11O8 877.4236 NA PeJP NA NA +PJ063073 STTEERR C33H59N13O15 877.4254 NA PeJP NA NA +PJ063074 PLLEEMF C41H63N7O12S 877.4256 NA PeJP NA NA +PJ063075 GVEMMRR C34H63N13O10S2 877.4263 NA PeJP NA NA +PJ063076 GSEHHRR C34H55N17O11 877.4267 NA PeJP NA NA +PJ063077 SLMRWW C42H59N11O8S 877.4269 NA PeJP NA NA +PJ063078 LLLEEMM C38H67N7O12S2 877.429 NA PeJP NA NA +PJ063079 SSTLERW C38H59N11O13 877.4294 NA PeJP NA NA +3590 heparin-binding peptide FKCAAWQWAMKKLGA 877.4297 MH2+ Inhouse_peptide NA peptide +PJ063080 SSCNRRR C31H59N17O11S 877.4301 NA PeJP NA NA +PJ063081 AALMMRW C39H63N11O8S2 877.4303 NA PeJP NA NA +PJ063082 DKHHRW C39H55N15O9 877.4308 NA PeJP NA NA +PJ063083 SVKEEMR C35H63N11O13S 877.4328 NA PeJP NA NA +PJ063084 SSSLLWW C43H59N9O11 877.4334 NA PeJP NA NA +PJ063085 GGGLLEFW C43H59N9O11 877.4335 NA PeJP NA NA +PJ063086 PCLKMMR C36H67N11O8S3 877.4337 NA PeJP NA NA +PJ063087 GLQMHHR C36H59N15O9S 877.4341 NA PeJP NA NA +PJ063088 PPHRWW C44H55N13O7 877.4348 NA PeJP NA NA +PJ063089 GSSSTQRR C32H59N15O14 877.4366 NA PeJP NA NA +PJ063090 ATLKEMW C40H63N9O11S 877.4368 NA PeJP NA NA +PJ063091 AALFFFY C48H59N7O9 877.4375 NA PeJP NA NA +PJ063092 GTTTLKEE C36H63N9O16 877.4393 NA PeJP NA NA +PJ063093 VLQKEMM C37H67N9O11S2 877.4402 NA PeJP NA NA +PJ063094 SSSQKRW C37H59N13O12 877.4406 NA PeJP NA NA +PJ063095 GGSSTKRW C37H59N13O12 877.4407 NA PeJP NA NA +PJ063096 VMMRRW C38H63N13O7S2 877.4415 NA PeJP NA NA +PJ063097 SHHRRW C38H55N17O8 877.442 NA PeJP NA NA +PJ063098 VLLEEEF C41H63N7O14 877.4433 NA PeJP NA NA +PJ063099 SSLEMRR C34H63N13O12S 877.444 NA PeJP NA NA +PJ063100 GSSKKWW C42H59N11O10 877.4447 NA PeJP NA NA +PJ063101 AAMHHRR C35H59N17O8S 877.4454 NA PeJP NA NA +PJ063102 ATTLMRW C39H63N11O10S 877.448 NA PeJP NA NA +PJ063103 GGATKKMW C39H63N11O10S 877.4481 NA PeJP NA NA +PJ063104 PVKYWW C47H59N9O8 877.4487 NA PeJP NA NA +PJ063105 SSSSLLER C35H63N11O15 877.4505 NA PeJP NA NA +PJ063106 GSSDKKKE C35H63N11O15 877.4506 NA PeJP NA NA +PJ063107 ALKEMMR C36H67N11O10S2 877.4514 NA PeJP NA NA +PJ063108 QQQRRY C36H59N15O11 877.4519 NA PeJP NA NA +PJ063109 GPLKMFW C44H63N9O8S 877.4521 NA PeJP NA NA +PJ063110 TTTLKEW C40H63N9O13 877.4546 NA PeJP NA NA +PJ063111 SSNKMRR C33H63N15O11S 877.4553 NA PeJP NA NA +PJ063112 GLLKMMW C41H67N9O8S2 877.4554 NA PeJP NA NA +PJ063113 PTRRYW C41H59N13O9 877.4559 NA PeJP NA NA +PJ063114 TLKKEEM C37H67N9O13S 877.4579 NA PeJP NA NA +MJ096755 Kahalalide B C45H63N7O11 877.458555 NA MeJP NA NA +PJ063115 PPLLEFY C45H63N7O11 877.4586 NA PeJP NA NA +PJ063116 PLKKMMM C38H71N9O8S3 877.4588 NA PeJP NA NA +PJ063117 GTCKKRW C38H63N13O9S 877.4593 NA PeJP NA NA +PJ063118 ALFRWW C46H59N11O7 877.4599 NA PeJP NA NA +PJ063119 GSSSKKER C34H63N13O14 877.4618 NA PeJP NA NA +PJ063120 PLLLEMY C42H67N7O11S 877.462 NA PeJP NA NA +PJ063121 ATLMMRR C35H67N13O9S2 877.4626 NA PeJP NA NA +PJ063122 SVVMMRR C35H67N13O9S2 877.4627 NA PeJP NA NA +PJ063123 NNRRRY C35H59N17O10 877.4631 NA PeJP NA NA +PJ063124 CKKKWW C43H63N11O7S 877.4633 NA PeJP NA NA +MJ096756 Kurstakin; Kurstakin A C39H63N11O12 877.465766 NA MeJP NA NA +PJ063125 TTTTLRW C39H63N11O12 877.4658 NA PeJP NA NA +PJ063126 GPKHHFR C40H59N15O8 877.4672 NA PeJP NA NA +PJ063127 TTLKEMR C36H67N11O12S 877.4692 NA PeJP NA NA +PJ063128 APTLKYW C44H63N9O10 877.4698 NA PeJP NA NA +PJ063129 PMRRRY C37H63N15O8S 877.4705 NA PeJP NA NA +PJ063130 GSSSTKRR C33H63N15O13 877.473 NA PeJP NA NA +PJ063131 STLLKMW C41H67N9O10S 877.4732 NA PeJP NA NA +PJ063132 GCKKMRR C34H67N15O8S2 877.4739 NA PeJP NA NA +PJ063133 SSTTLLKE C37H67N9O15 877.4757 NA PeJP NA NA +PJ063134 VLKKEMM C38H71N9O10S2 877.4766 NA PeJP NA NA +PJ063135 SSSKKRW C38H63N13O11 877.477 NA PeJP NA NA +PJ063136 GGGGALKRY C38H63N13O11 877.4771 NA PeJP NA NA +PJ063137 VLLLEEY C42H67N7O13 877.4797 NA PeJP NA NA +PJ063138 TTTLMRR C35H67N13O11S 877.4804 NA PeJP NA NA +PJ063139 LLQRYW C43H63N11O9 877.4811 NA PeJP NA NA +PJ063140 GTKKKMW C40H67N11O9S 877.4844 NA PeJP NA NA +PJ063141 VLKFWW C48H63N9O7 877.4851 NA PeJP NA NA +PJ063142 SSTTTLLR C36H67N11O14 877.4869 NA PeJP NA NA +PJ063143 SLLKMMR C37H71N11O9S2 877.4878 NA PeJP NA NA +PJ063144 VERRRY C37H63N15O10 877.4883 NA PeJP NA NA +PJ063145 PTLKKEY C41H67N9O12 877.4909 NA PeJP NA NA +PJ063146 GGVLLKEY C41H67N9O12 877.491 NA PeJP NA NA +PJ063147 STCKKRR C34H67N15O10S 877.4916 NA PeJP NA NA +PJ063148 VVRRYW C42H63N13O8 877.4923 NA PeJP NA NA +PJ063149 SSSLLLKM C38H71N9O12S 877.4943 NA PeJP NA NA +PJ063150 PPLLLYY C46H67N7O10 877.495 NA PeJP NA NA +PJ063151 GVLMFRR C39H67N13O8S 877.4957 NA PeJP NA NA +PJ063152 GSTTTKKR C35H67N13O13 877.4982 NA PeJP NA NA +PJ063153 LLLLEMF C43H71N7O10S 877.4984 NA PeJP NA NA +PJ063154 GKKKMMR C36H71N13O8S2 877.499 NA PeJP NA NA +PJ063155 GPQKHRR C36H63N17O9 877.4995 NA PeJP NA NA +PJ063156 STTKKKW C40H67N11O11 877.5022 NA PeJP NA NA +PJ063157 PFFRRR C41H63N15O7 877.5035 NA PeJP NA NA +PJ063158 SKKKKEM C37H71N11O11S 877.5056 NA PeJP NA NA +MJ096757 Pseudostellarin E C45H67N9O9 877.506174 NA MeJP NA NA +PJ063159 GVLLKYW C45H67N9O9 877.5062 NA PeJP NA NA +PJ063160 LMFRRR C38H67N15O7S 877.5069 NA PeJP NA NA +PJ063161 PVLKKMY C42H71N9O9S 877.5096 NA PeJP NA NA +PJ063162 TTTTTLLK C38H71N9O14 877.5121 NA PeJP NA NA +PJ063163 GTLLRRY C39H67N13O10 877.5134 NA PeJP NA NA +PJ063164 STKKKMR C36H71N13O10S 877.5168 NA PeJP NA NA +PJ063165 LLKRYW C44H67N11O8 877.5174 NA PeJP NA NA +PJ063166 PPPLLRW C44H67N11O8 877.5175 NA PeJP NA NA +PJ063167 ALLKMFR C41H71N11O8S 877.5208 NA PeJP NA NA +PJ063168 SSSTLKKK C37H71N11O13 877.5233 NA PeJP NA NA +PJ063169 CLKKKKM C38H75N11O8S2 877.5242 NA PeJP NA NA +PJ063170 QKKRRY C38H67N15O9 877.5247 NA PeJP NA NA +PJ063171 VVLKKEY C42H71N9O11 877.5273 NA PeJP NA NA +PJ063172 PPPVVLKE C42H71N9O11 877.5274 NA PeJP NA NA +PJ063173 PLLLLFY C47H71N7O9 877.5314 NA PeJP NA NA +PJ063174 LLLLLMY C44H75N7O9S 877.5347 NA PeJP NA NA +PJ063175 GPKKHRR C37H67N17O8 877.5359 NA PeJP NA NA +PJ063176 SVLLKRY C41H71N11O10 877.5386 NA PeJP NA NA +PJ063177 PVLKKFF C46H71N9O8 877.5426 NA PeJP NA NA +PJ063178 VLLKKMF C43H75N9O8S 877.546 NA PeJP NA NA +PJ063179 GVKKKRY C40H71N13O9 877.5498 NA PeJP NA NA +PJ063180 KKKRRY C39H71N15O8 877.561 NA PeJP NA NA +PJ063181 ALLLHRR C39H71N15O8 877.5611 NA PeJP NA NA +HMDB08748 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C52H80NO8P 877.562134 NA HMDB2010 NA NA +PJ063182 TLLLKKY C43H75N9O10 877.5637 NA PeJP NA NA +PJ063183 LLLLLFF C48H75N7O8 877.5678 NA PeJP NA NA +PJ063184 ALKKKKY C42H75N11O9 877.575 NA PeJP NA NA +EUR1022 PC 40:7 [M+FA-H]- C48H82NO8P 877.582687 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1022 PC 40:7 [M+FA-H]- C48H82NO8P 877.582687 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1022 PC 40:7 [M+FA-H]- C48H82NO8P 877.582687 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1022 PC 40:7 [M+FA-H]- C48H82NO8P 877.582687 masses lipides attendues Inhousejuil11 NA NA +PJ063185 VLLLKHR C41H75N13O8 877.5862 NA PeJP NA NA +PJ063186 PPVVLLLK C44H79N9O9 877.6001 NA PeJP NA NA +HMDB09607 PE(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)) C51H92NO8P 877.656067 NA HMDB2010 NA NA +HMDB09640 PE(22:5(4Z,7Z,10Z,13Z,16Z)/24:0) C51H92NO8P 877.656067 NA HMDB2010 NA NA +HMDB09673 PE(22:5(7Z,10Z,13Z,16Z,19Z)/24:0) C51H92NO8P 877.656067 NA HMDB2010 NA NA +HMDB09736 PE(24:0/22:5(4Z,7Z,10Z,13Z,16Z)) C51H92NO8P 877.656067 NA HMDB2010 NA NA +HMDB09737 PE(24:0/22:5(7Z,10Z,13Z,16Z,19Z)) C51H92NO8P 877.656067 NA HMDB2010 NA NA +HMDB09768 PE(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)) C51H92NO8P 877.656067 NA HMDB2010 NA NA +HMDB13456 PC(o-22:2(13Z,16Z)/22:3(10Z,13Z,16Z)) C52H96NO7P 877.692444 NA HMDB2010 NA NA +PJ063187 CCCCCDDD C27H42N8O15S5 878.1374 NA PeJP NA NA +PJ063188 CCCCCCNQ C27H46N10O11S6 878.1672 NA PeJP NA NA +PJ063189 SCCCCDDM C28H46N8O14S5 878.1737 NA PeJP NA NA +PJ063190 GSSCCCCCN C27H46N10O13S5 878.185 NA PeJP NA NA +PJ063191 GCCCCEMM C29H50N8O11S6 878.1924 NA PeJP NA NA +PJ063192 CCCCCCNK C28H50N10O10S6 878.2036 NA PeJP NA NA +PJ063193 GCCCCDEF C32H46N8O13S4 878.2068 NA PeJP NA NA +PJ063194 CCCCMMW C33H50N8O8S6 878.2076 NA PeJP NA NA +PJ063195 SSCCCDMM C29H50N8O13S5 878.2101 NA PeJP NA NA +PJ063196 ACCCCCHH C30H46N12O9S5 878.2115 NA PeJP NA NA +PJ063197 GCCDDDDH C30H42N10O17S2 878.2171 NA PeJP NA NA +PJ063198 GCCCCNNY C31H46N10O12S4 878.218 NA PeJP NA NA +PJ063199 CCCCDFW C36H46N8O10S4 878.222 NA PeJP NA NA +PJ063200 GSCCCDEY C32H46N8O15S3 878.2245 NA PeJP NA NA +PJ063201 GPCCCCMY C33H50N8O10S5 878.2254 NA PeJP NA NA +PJ063202 GTCCCMMM C30H54N8O10S6 878.2288 NA PeJP NA NA +PJ063203 SSCCCCHH C30H46N12O11S4 878.2292 NA PeJP NA NA +PJ063204 SPCCCDDH C31H46N10O14S3 878.2358 NA PeJP NA NA +PJ063205 SCCCDYW C36H46N8O12S3 878.2398 NA PeJP NA NA +PJ063206 SSSCCDDY C32H46N8O17S2 878.2423 NA PeJP NA NA +PJ063207 CCNDMMY C33H50N8O12S4 878.2431 NA PeJP NA NA +PJ063208 SSSCCMMM C30H54N8O12S5 878.2465 NA PeJP NA NA +PJ063209 GCCCNNEH C30H46N12O13S3 878.247 NA PeJP NA NA +PJ063210 GNNDDDDD C30H42N10O21 878.2526 NA PeJP NA NA +PJ063211 GGGNDDDDD C30H42N10O21 878.2527 NA PeJP NA NA +PJ063212 GSCDDDMH C31H46N10O16S2 878.2535 NA PeJP NA NA +PJ063213 CCCCERY C32H50N10O11S4 878.2544 NA PeJP NA NA +PJ063214 CCNDDFY C36H46N8O14S2 878.2575 NA PeJP NA NA +PJ063215 ACCCMYW C37H50N8O9S4 878.2584 NA PeJP NA NA +PJ063216 GPDDDDDM C32H46N8O19S 878.26 NA PeJP NA NA +PJ063217 GSSCCEMY C33H50N8O14S3 878.2609 NA PeJP NA NA +PJ063218 CCNMMMF C34H54N8O9S5 878.2618 NA PeJP NA NA +PJ063219 CCCNNHW C34H46N12O10S3 878.2622 NA PeJP NA NA +PJ063220 GGGGCCCHW C34H46N12O10S3 878.2623 NA PeJP NA NA +PJ063221 SSCCNNDH C30H46N12O15S2 878.2647 NA PeJP NA NA +PJ063222 GGGGSSCCDH C30H46N12O15S2 878.2648 NA PeJP NA NA +PJ063223 SCCDEHW C35H46N10O13S2 878.2688 NA PeJP NA NA +PJ063224 PCCCMHW C36H50N10O8S4 878.2696 NA PeJP NA NA +PJ063225 SSSCDDEH C31H46N10O18S 878.2713 NA PeJP NA NA +PJ063226 CNDEMMH C32H50N10O13S3 878.2721 NA PeJP NA NA +PJ063227 GGGGPPCCCE C32H50N10O13S3 878.2722 NA PeJP NA NA +PJ063228 PCDDDEW C36H46N8O16S 878.2753 NA PeJP NA NA +PJ063229 SSCCMYW C37H50N8O11S3 878.2761 NA PeJP NA NA +PJ063230 GAPCCCYY C37H50N8O11S3 878.2762 NA PeJP NA NA +PJ063231 NDDEEEE C32H46N8O21 878.2778 NA PeJP NA NA +PJ063232 SSSSCDMY C33H50N8O16S2 878.2786 NA PeJP NA NA +PJ063233 SPPCDDDM C33H50N8O16S2 878.2787 NA PeJP NA NA +PJ063234 SCNMMMY C34H54N8O11S4 878.2795 NA PeJP NA NA +PJ063235 GCNNNNDE C30H46N12O17S 878.2825 NA PeJP NA NA +PJ063236 CCDDMHR C31H50N12O12S3 878.2834 NA PeJP NA NA +PJ063237 CNDDEHF C35H46N10O15S 878.2865 NA PeJP NA NA +PJ063238 GCDMMHW C36H50N10O10S3 878.2874 NA PeJP NA NA +PJ063239 DDDDDER C31H46N10O20 878.289 NA PeJP NA NA +PJ063240 GSSDDMMH C32H50N10O15S2 878.2899 NA PeJP NA NA +PJ063241 TCCCMRY C33H54N10O10S4 878.2908 NA PeJP NA NA +PJ063242 CCNEHHH C33H46N14O11S2 878.2912 NA PeJP NA NA +PJ063243 ACCCFFW C41H50N8O8S3 878.2914 NA PeJP NA NA +PJ063244 ADDDEEW C36H46N8O18 878.293 NA PeJP NA NA +PJ063245 GDDEEEW C36H46N8O18 878.2931 NA PeJP NA NA +PJ063246 GCNEMYY C37H50N8O13S2 878.2939 NA PeJP NA NA +PJ063247 GSCCCNHR C30H50N14O11S3 878.2946 NA PeJP NA NA +PJ063248 GSPDDEEM C33H50N8O18S 878.2964 NA PeJP NA NA +PJ063249 GSSTCMMY C34H54N8O13S3 878.2973 NA PeJP NA NA +PJ063250 CNNNNDW C34H46N12O14S 878.2977 NA PeJP NA NA +PJ063251 GGCNNNDW C34H46N12O14S 878.2978 NA PeJP NA NA +PJ063252 SSNNNNDD C30H46N12O19 878.3002 NA PeJP NA NA +PJ063253 GGSSNNNDD C30H46N12O19 878.3003 NA PeJP NA NA +PJ063254 GPCCNDDR C31H50N12O14S2 878.3011 NA PeJP NA NA +PJ063255 GGGGGGGGPTCC C31H50N12O14S2 878.3012 NA PeJP NA NA +PJ063256 GCDDHFW C39H46N10O12S 878.3018 NA PeJP NA NA +PJ063257 SNNDDEW C35H46N10O17 878.3043 NA PeJP NA NA +PJ063258 SSCEMHW C36H50N10O12S2 878.3051 NA PeJP NA NA +PJ063259 GGPCNDMW C36H50N10O12S2 878.3052 NA PeJP NA NA +PJ063260 GCCHHHW C37H46N14O8S2 878.3065 NA PeJP NA NA +PJ063261 SSSSDEMH C32H50N10O17S 878.3076 NA PeJP NA NA +PJ063262 GGNNEEEM C32H50N10O17S 878.3077 NA PeJP NA NA +PJ063263 DDEEWW C40H46N8O15 878.3083 NA PeJP NA NA +PJ063264 SNEMMMH C33H54N10O12S3 878.3085 NA PeJP NA NA +PJ063265 GSSCDHHH C33H46N14O13S 878.309 NA PeJP NA NA +PJ063266 CNMYYW C41H50N8O10S2 878.3092 NA PeJP NA NA +PJ063267 SSCQEYY C37H50N8O15S 878.3116 NA PeJP NA NA +PJ063268 SPDDEMW C37H50N8O15S 878.3117 NA PeJP NA NA +PJ063269 PPCDMMW C38H54N8O10S3 878.3125 NA PeJP NA NA +PJ063270 SQEEEEE C33H50N8O20 878.3142 NA PeJP NA NA +PJ063271 SSSSSMMY C34H54N8O15S2 878.315 NA PeJP NA NA +PJ063272 GGPEEEMM C34H54N8O15S2 878.3151 NA PeJP NA NA +PJ063273 GSPDDDHH C34H46N12O16 878.3155 NA PeJP NA NA +PJ063274 TCCKMMY C35H58N8O10S4 878.3159 NA PeJP NA NA +PJ063275 CNNNMHF C35H50N12O11S2 878.3164 NA PeJP NA NA +PJ063276 NNDDDMR C31H50N12O16S 878.3189 NA PeJP NA NA +PJ063277 GSNDDWW C39H46N10O14 878.3195 NA PeJP NA NA +PJ063278 SCDMMHR C32H54N12O11S3 878.3197 NA PeJP NA NA +PJ063279 TCCEMHR C32H54N12O11S3 878.3198 NA PeJP NA NA +PJ063280 GPCCQWW C40H50N10O9S2 878.3204 NA PeJP NA NA +MJ096758 Trioxacarcin A; 7''-Alcohol C42H54O20 878.320844 NA MeJP NA NA +MJ096759 Precorrin 3A C43H50N4O16 878.322181 NA MeJP NA NA +MetaCyc04227 precorrin-3A [] C43H50N4O16 878.322182 NA metacyc NA NA +C05772 Precorrin 3A C43H50N4O16 878.3222 NA KEGG NA NA +PJ063281 GNNEEMW C36H50N10O14S 878.3229 NA PeJP NA NA +PJ063282 GSMMMHW C37H54N10O9S3 878.3238 NA PeJP NA NA +PJ063283 SDDEEER C32H50N10O19 878.3254 NA PeJP NA NA +PJ063284 PDDDMMR C33H54N10O14S2 878.3263 NA PeJP NA NA +PJ063285 NNNDEHH C33H46N14O15 878.3267 NA PeJP NA NA +PJ063286 GGNNDEHH C33H46N14O15 878.3268 NA PeJP NA NA +PJ063287 GSTCYYW C41H50N8O12S 878.3269 NA PeJP NA NA +PJ063288 AQMMMMH C34H58N10O9S4 878.3271 NA PeJP NA NA +PJ063289 GAAMMMMH C34H58N10O9S4 878.3272 NA PeJP NA NA +PJ063290 SCQMHHH C34H50N14O10S2 878.3276 NA PeJP NA NA +PJ063291 GTEEEEW C37H50N8O17 878.3294 NA PeJP NA NA +PJ063292 GSCNNNDR C30H50N14O15S 878.3301 NA PeJP NA NA +PJ063293 GPEEMMW C38H54N8O12S2 878.3303 NA PeJP NA NA +PJ063294 PPCCHHW C39H50N12O8S2 878.3316 NA PeJP NA NA +PJ063295 VNEEEEM C34H54N8O17S 878.3328 NA PeJP NA NA +PJ063296 EEEFYY C42H50N6O15 878.3334 NA PeJP NA NA +PJ063297 GSPPEMMM C35H58N8O12S3 878.3337 NA PeJP NA NA +PJ063298 GCNDERW C35H50N12O13S 878.3341 NA PeJP NA NA +PJ063299 GGGCDERW C35H50N12O13S 878.3342 NA PeJP NA NA +PJ063300 GSSNDDER C31H50N12O18 878.3366 NA PeJP NA NA +PJ063301 GGGSTDDDR C31H50N12O18 878.3367 NA PeJP NA NA +PJ063302 GSPCNDMR C32H54N12O13S2 878.3375 NA PeJP NA NA +PJ063303 NNEMWW C40H50N10O11S 878.3382 NA PeJP NA NA +PJ063304 ACMMMHR C33H58N12O8S4 878.3384 NA PeJP NA NA +PJ063305 SCCHHHR C33H50N16O9S2 878.3388 NA PeJP NA NA +PJ063306 SSNQEEW C36H50N10O16 878.3406 NA PeJP NA NA +PJ063307 GGSSQEEW C36H50N10O16 878.3407 NA PeJP NA NA +PJ063308 SSTMMHW C37H54N10O11S2 878.3415 NA PeJP NA NA +PJ063309 GGGGGPPCMF C37H54N10O11S2 878.3416 NA PeJP NA NA +PJ063310 GNNDHHW C37H46N14O12 878.342 NA PeJP NA NA +PJ063311 CNFFYW C45H50N8O9S 878.3422 NA PeJP NA NA +PJ063312 GEEEEMR C33H54N10O16S 878.344 NA PeJP NA NA +PJ063313 GGGGDKEEM C33H54N10O16S 878.3441 NA PeJP NA NA +PJ063314 TEEEWW C41H50N8O14 878.3447 NA PeJP NA NA +PJ063315 SDKMMMH C34H58N10O11S3 878.3449 NA PeJP NA NA +PJ063316 PCDDHHR C34H50N14O12S 878.3454 NA PeJP NA NA +PJ063317 ACNMFFF C42H54N8O9S2 878.3455 NA PeJP NA NA +PJ063318 PEMMWW C42H54N8O9S2 878.3456 NA PeJP NA NA +PJ063319 SSTQMYY C38H54N8O14S 878.348 NA PeJP NA NA +PJ063320 GVEEEMW C38H54N8O14S 878.3481 NA PeJP NA NA +PJ063321 CNNNQMR C31H54N14O12S2 878.3487 NA PeJP NA NA +PJ063322 GGGGCNQMR C31H54N14O12S2 878.3488 NA PeJP NA NA +PJ063323 SPPMMMW C39H58N8O9S3 878.3489 NA PeJP NA NA +PJ063324 CNDRWW C39H50N12O10S 878.3494 NA PeJP NA NA +PJ063325 SSPTTEEE C34H54N8O19 878.3505 NA PeJP NA NA +PJ063326 SKEEEEE C34H54N8O19 878.3506 NA PeJP NA NA +PJ063327 PDKEEMM C35H58N8O14S2 878.3514 NA PeJP NA NA +PJ063328 SSNDDRW C35H50N12O15 878.3519 NA PeJP NA NA +PJ063329 AAPPMMMM C36H62N8O9S4 878.3523 NA PeJP NA NA +PJ063330 SPCCQRW C36H54N12O10S2 878.3528 NA PeJP NA NA +PJ063331 GNMWWW C44H50N10O8S 878.3534 NA PeJP NA NA +PJ063332 SNNEEMR C32H54N12O15S 878.3553 NA PeJP NA NA +PJ063333 GSSQEWW C40H50N10O13 878.3559 NA PeJP NA NA +PJ063334 SSMMMHR C33H58N12O10S3 878.3561 NA PeJP NA NA +PJ063335 GGGAPCMMR C33H58N12O10S3 878.3562 NA PeJP NA NA +PJ063336 GPCCKWW C41H54N10O8S2 878.3568 NA PeJP NA NA +PJ063337 EEEMRW C37H54N10O13S 878.3593 NA PeJP NA NA +PJ063338 PDEFWW C45H50N8O11 878.3599 NA PeJP NA NA +PJ063339 CCNNNRR C30H54N16O11S2 878.36 NA PeJP NA NA +PJ063340 GNMHHHF C38H50N14O9S 878.3606 NA PeJP NA NA +PJ063341 STEEEER C33H54N10O18 878.3618 NA PeJP NA NA +PJ063342 SPEEMMR C34H58N10O13S2 878.3627 NA PeJP NA NA +PJ063343 GDEEHHR C34H50N14O14 878.3631 NA PeJP NA NA +PJ063344 GGGGGATEHH C34H50N14O14 878.3632 NA PeJP NA NA +PJ063345 VEEMWW C42H54N8O11S 878.3633 NA PeJP NA NA +PJ063346 AKMMMMH C35H62N10O8S4 878.3635 NA PeJP NA NA +PJ063347 SCKMHHH C35H54N14O9S2 878.364 NA PeJP NA NA +PJ063348 SSLEEEW C38H54N8O16 878.3658 NA PeJP NA NA +PJ063349 SCNDERR C31H54N14O14S 878.3665 NA PeJP NA NA +MJ096760 Blepharocalyxin A C54H54O11 878.366612 NA MeJP NA NA +MJ096761 Blepharocalyxin E C54H54O11 878.366612 NA MeJP NA NA +PJ063350 SPVEMMW C39H58N8O11S2 878.3667 NA PeJP NA NA +PJ063351 GNNNQFW C39H50N12O12 878.3671 NA PeJP NA NA +PJ063352 GGGNNQFW C39H50N12O12 878.3672 NA PeJP NA NA +PJ063353 PCCNMRR C32H58N14O9S3 878.3674 NA PeJP NA NA +PJ063354 CMHFRW C40H54N12O7S2 878.368 NA PeJP NA NA +PJ063355 VDKEEEM C35H58N8O16S 878.3692 NA PeJP NA NA +PJ063356 LEEYYY C43H54N6O14 878.3698 NA PeJP NA NA +PJ063357 PLQEMMM C36H62N8O11S3 878.37 NA PeJP NA NA +PJ063358 GAPLEMMM C36H62N8O11S3 878.3701 NA PeJP NA NA +PJ063359 GSNEMRW C36H54N12O12S 878.3705 NA PeJP NA NA +PJ063360 SSQWWW C44H50N10O10 878.3712 NA PeJP NA NA +PJ063361 GSSSQEER C32H54N12O17 878.373 NA PeJP NA NA +PJ063362 GQQEMMR C33H58N12O12S2 878.3739 NA PeJP NA NA +PJ063363 SNNDHHR C33H50N16O13 878.3744 NA PeJP NA NA +PJ063364 NDKMWW C41H54N10O10S 878.3745 NA PeJP NA NA +PJ063365 GGDKMWW C41H54N10O10S 878.3746 NA PeJP NA NA +PJ063366 SSNKEEW C37H54N10O15 878.377 NA PeJP NA NA +PJ063367 GGSSKEEW C37H54N10O15 878.3771 NA PeJP NA NA +PJ063368 GVQQMMW C38H58N10O10S2 878.3779 NA PeJP NA NA +PJ063369 DEHHRW C38H50N14O11 878.3784 NA PeJP NA NA +PJ063370 PPMYWW C46H54N8O8S 878.3786 NA PeJP NA NA +PJ063371 SVEEEMR C34H58N10O15S 878.3804 NA PeJP NA NA +8232 Antioxidative peptide IAAEVYEHTEGSTTSY 878.381 MH2+ Inhouse_peptide NA peptide +PJ063372 GPVEEYW C42H54N8O13 878.3811 NA PeJP NA NA +PJ063373 PVDMMMR C35H62N10O10S3 878.3813 NA PeJP NA NA +PJ063374 AQQQMHH C35H54N14O11S 878.3817 NA PeJP NA NA +PJ063375 GSCDRRW C35H54N14O11S 878.3818 NA PeJP NA NA +PJ063376 APPMMFW C43H58N8O8S2 878.3819 NA PeJP NA NA +PJ063377 VDHHWW C43H50N12O9 878.3824 NA PeJP NA NA +PJ063378 SSSSNNQR C31H54N14O16 878.3842 NA PeJP NA NA +PJ063379 GSSSDDRR C31H54N14O16 878.3843 NA PeJP NA NA +PJ063380 ATLEEMW C39H58N8O13S 878.3844 NA PeJP NA NA +PJ063381 GGPLEEMF C39H58N8O13S 878.3845 NA PeJP NA NA +PJ063382 GNDMMRR C32H58N14O11S2 878.3851 NA PeJP NA NA +PJ063383 GGGGGGCKMR C32H58N14O11S2 878.3852 NA PeJP NA NA +PJ063384 APLMMMW C40H62N8O8S3 878.3853 NA PeJP NA NA +PJ063385 SNMRWW C40H54N12O9S 878.3858 NA PeJP NA NA +PJ063386 GHFFWW C48H50N10O7 878.3864 NA PeJP NA NA +PJ063387 GTTTLEEE C35H58N8O18 878.3869 NA PeJP NA NA +PJ063388 VLQEEMM C36H62N8O13S2 878.3878 NA PeJP NA NA +PJ063389 SSSQERW C36H54N12O14 878.3883 NA PeJP NA NA +PJ063390 QQMMRW C37H58N12O9S2 878.3891 NA PeJP NA NA +PJ063391 GAQMMRW C37H58N12O9S2 878.3892 NA PeJP NA NA +PJ063392 SPQHHHH C37H50N16O10 878.3896 NA PeJP NA NA +PJ063393 ACKWWW C45H54N10O7S 878.3898 NA PeJP NA NA +PJ063394 STQQEMR C33H58N12O14S 878.3916 NA PeJP NA NA +PJ063395 SNDKEMR C33H58N12O14S 878.3917 NA PeJP NA NA +PJ063396 GSSKEWW C41H54N10O12 878.3923 NA PeJP NA NA +PJ063397 PCNKMMR C34H62N12O9S3 878.3925 NA PeJP NA NA +PJ063398 GNQMHHR C34H54N16O10S 878.393 NA PeJP NA NA +PJ063399 KMMHFW C42H58N10O7S2 878.3932 NA PeJP NA NA +MJ096762 3,14,15-Trihydroxypregn-5-en-20-one, 3-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C44H62O18 878.393615 NA MeJP NA NA +PJ063400 GTQKEMW C38H58N10O12S 878.3957 NA PeJP NA NA +PJ063401 PVEYWW C46H54N8O10 878.3963 NA PeJP NA NA +PJ063402 GCCERRR C31H58N16O10S2 878.3964 NA PeJP NA NA +PJ063403 ACKHHHF C39H54N14O8S 878.397 NA PeJP NA NA +PJ063404 GSSDKKEE C34H58N10O17 878.3982 NA PeJP NA NA +PJ063405 ALEEMMR C35H62N10O12S2 878.399 NA PeJP NA NA +PJ063406 VVDEMMR C35H62N10O12S2 878.3991 NA PeJP NA NA +PJ063407 GNNQQRY C35H54N14O13 878.3995 NA PeJP NA NA +PJ063408 GGGGGGGGGPLH C35H54N14O13 878.3996 NA PeJP NA NA +PJ063409 SPPVMYW C43H58N8O10S 878.3997 NA PeJP NA NA +PJ063410 CQMRRW C36H58N14O8S2 878.4004 NA PeJP NA NA +PJ063411 TTTLEEW C39H58N8O15 878.4022 NA PeJP NA NA +PJ063412 SSNEMRR C32H58N14O13S 878.4029 NA PeJP NA NA +PJ063413 GLLEMMW C40H62N8O10S2 878.4031 NA PeJP NA NA +PJ063414 GSSTRWW C40H54N12O11 878.4035 NA PeJP NA NA +PJ063415 GGGAEFRW C40H54N12O11 878.4036 NA PeJP NA NA +PJ063416 GCNHHRR C33H54N18O9S 878.4042 NA PeJP NA NA +PJ063417 TLKEEEM C36H62N8O15S 878.4056 NA PeJP NA NA +PJ063418 PLKEMMM C37H66N8O10S3 878.4064 NA PeJP NA NA +PJ063419 GSDKMRW C37H58N12O11S 878.4069 NA PeJP NA NA +PJ063420 SSKWWW C45H54N10O9 878.4076 NA PeJP NA NA +PJ063421 GSSSKEER C33H58N12O16 878.4094 NA PeJP NA NA +PJ063422 GQKEMMR C34H62N12O11S2 878.4103 NA PeJP NA NA +PJ063423 SSQQHHR C34H54N16O12 878.4107 NA PeJP NA NA +PJ063424 GGSTQHHR C34H54N16O12 878.4108 NA PeJP NA NA +PJ063425 TQKMWW C42H58N10O9S 878.4109 NA PeJP NA NA +PJ063426 PPFFWW C50H54N8O7 878.4116 NA PeJP NA NA +PJ063427 SSDKKEW C38H58N10O14 878.4134 NA PeJP NA NA +PJ063428 GGGGGGLLEY C38H58N10O14 878.4135 NA PeJP NA NA +PJ063429 SSCDRRR C31H58N16O12S 878.4141 NA PeJP NA NA +PJ063430 GVQKMMW C39H62N10O9S2 878.4143 NA PeJP NA NA +PJ063431 GSQKHHW C39H54N14O10 878.4148 NA PeJP NA NA +PJ063432 PLMFWW C47H58N8O7S 878.415 NA PeJP NA NA +PJ063433 TTLEEMR C35H62N10O14S 878.4168 NA PeJP NA NA +PJ063434 DKKYYY C43H58N8O12 878.4174 NA PeJP NA NA +PJ063435 APTLEYW C43H58N8O12 878.4175 NA PeJP NA NA +PJ063436 PTLMMMR C36H66N10O9S3 878.4177 NA PeJP NA NA +PJ063437 GSSMRRW C36H58N14O10S 878.4181 NA PeJP NA NA +PJ063438 GGAPCRRY C36H58N14O10S 878.4182 NA PeJP NA NA +PJ063439 LLMMWW C44H62N8O7S2 878.4183 NA PeJP NA NA +PJ063440 GQFRWW C44H54N12O8 878.4188 NA PeJP NA NA +PJ063441 GSSSTERR C32H58N14O15 878.4206 NA PeJP NA NA +PJ063442 GGGGSSSSKR C32H58N14O15 878.4207 NA PeJP NA NA +PJ063443 STLLEMW C40H62N8O12S 878.4208 NA PeJP NA NA +PJ063444 GTQMMRR C33H62N14O10S2 878.4215 NA PeJP NA NA +PJ063445 TCKRWW C41H58N12O8S 878.4222 NA PeJP NA NA +PJ063446 SSTTLLEE C36H62N8O17 878.4233 NA PeJP NA NA +PJ063447 VLKEEMM C37H66N8O12S2 878.4242 NA PeJP NA NA +PJ063448 SSSKERW C37H58N12O13 878.4247 NA PeJP NA NA +PJ063449 QKMMRW C38H62N12O8S2 878.4255 NA PeJP NA NA +PJ063450 SPKHHHH C38H54N16O9 878.426 NA PeJP NA NA +PJ063451 STQKEMR C34H62N12O13S 878.428 NA PeJP NA NA +PJ063452 GGGGGSTKKM C34H62N12O13S 878.4281 NA PeJP NA NA +PJ063453 GTTTKWW C42H58N10O11 878.4287 NA PeJP NA NA +PJ063454 PPCNHRR C35H58N16O9S 878.4294 NA PeJP NA NA +MJ096763 Bryostatin 19 C45H66O17 878.43 NA MeJP NA NA +PJ063455 PHHFRW C43H54N14O7 878.43 NA PeJP NA NA +MJ096764 Mycalolide E C46H62N4O13 878.431338 NA MeJP NA NA +PJ063456 SSLQKMW C39H62N10O11S 878.432 NA PeJP NA NA +PJ063457 GTKKEMW C39H62N10O11S 878.4321 NA PeJP NA NA +PJ063458 VLEFWW C47H58N8O9 878.4327 NA PeJP NA NA +PJ063459 GTCMRRR C32H62N16O9S2 878.4328 NA PeJP NA NA +MJ096765 Hoffmanniolide C42H70O17S 878.433371 NA MeJP NA NA +PJ063460 LMHHRW C40H58N14O7S 878.4334 NA PeJP NA NA +PJ063461 ATTTTQKE C35H62N10O16 878.4345 NA PeJP NA NA +PJ063462 GSTTKKEE C35H62N10O16 878.4346 NA PeJP NA NA +PJ063463 SLLEMMR C36H66N10O11S2 878.4354 NA PeJP NA NA +PJ063464 SSSTRRW C36H58N14O12 878.4359 NA PeJP NA NA +PJ063465 GPLLMYW C44H62N8O9S 878.4361 NA PeJP NA NA +PJ063466 CKMRRW C37H62N14O7S2 878.4368 NA PeJP NA NA +PJ063467 GVHHHHR C37H54N18O8 878.4373 NA PeJP NA NA +PJ063468 PTLKEEY C40H62N8O14 878.4386 NA PeJP NA NA +PJ063469 SSDKMRR C33H62N14O12S 878.4393 NA PeJP NA NA +PJ063470 SVLLMMW C41H66N8O9S2 878.4394 NA PeJP NA NA +PJ063471 TCLLLMW C41H66N8O9S2 878.4395 NA PeJP NA NA +PJ063472 VQQRYW C41H58N12O10 878.4399 NA PeJP NA NA +PJ063473 SSSLLLEM C37H66N8O14S 878.4419 NA PeJP NA NA +PJ063474 ATTTLLEM C37H66N8O14S 878.442 NA PeJP NA NA +MJ096766 Hydrogenobyrinate a,c diamide C45H62N6O12 878.442571 NA MeJP NA NA +MetaCyc04228 hydrogenobyrinate a,c-diamide [hydrogenobyrinic acid a,c-diamide;] C45H62N6O12 878.442571 NA metacyc NA NA +C06503 Hydrogenobyrinate a,c diamide C45H62N6O12 878.4426 NA KEGG NA NA +PJ063475 LLLQMMM C38H70N8O9S3 878.4428 NA PeJP NA NA +PJ063476 GTTKMRW C38H62N12O10S 878.4433 NA PeJP NA NA +PJ063477 VNKFWW C46H58N10O8 878.4439 NA PeJP NA NA +PJ063478 GGVKFWW C46H58N10O8 878.444 NA PeJP NA NA +MJ096767 Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Dibenzoyl, 3-O-[?-D-cymaropyranosyl-(1?4)-?-D-oleandropyranoside] C49H66O14 878.445256 NA MeJP NA NA +PJ063479 GSTTTKER C34H62N12O15 878.4458 NA PeJP NA NA +PJ063480 GKKEMMR C35H66N12O10S2 878.4467 NA PeJP NA NA +PJ063481 NDRRRY C35H58N16O11 878.4471 NA PeJP NA NA +PJ063482 GGAPEHRR C35H58N16O11 878.4472 NA PeJP NA NA +PJ063483 TKKMWW C43H62N10O8S 878.4473 NA PeJP NA NA +PJ063484 HHHHRR C36H54N20O7 878.4485 NA PeJP NA NA +PJ063485 STTKKEW C39H62N10O13 878.4498 NA PeJP NA NA +PJ063486 SSSMRRR C32H62N16O11S 878.4505 NA PeJP NA NA +PJ063487 GVKKMMW C40H66N10O8S2 878.4507 NA PeJP NA NA +PJ063488 AQRRYW C40H58N14O9 878.4512 NA PeJP NA NA +PJ063489 SKKKEEM C36H66N10O13S 878.4532 NA PeJP NA NA +PJ063490 GVLLEYW C44H62N8O11 878.4538 NA PeJP NA NA +MJ096768 Viridogrisein C44H62N8O11 878.453804 NA MeJP NA NA +PJ063491 GGPLLEFF C44H62N8O11 878.4539 NA PeJP NA NA +PJ063492 VVLMMMR C37H70N10O8S3 878.4541 NA PeJP NA NA +PJ063493 GPCKRRY C37H62N14O9S 878.4545 NA PeJP NA NA +PJ063494 GKFRWW C45H58N12O7 878.4552 NA PeJP NA NA +PJ063495 SSSSSLRR C33H62N14O14 878.457 NA PeJP NA NA +PJ063496 PVLKEMY C41H66N8O11S 878.4572 NA PeJP NA NA +PJ063497 GTKMMRR C34H66N14O9S2 878.4579 NA PeJP NA NA +PJ063498 TTTTTLLE C37H66N8O16 878.4597 NA PeJP NA NA +PJ063499 GTTLLLMM C38H70N8O11S2 878.4606 NA PeJP NA NA +PJ063500 STTTKRW C38H62N12O12 878.461 NA PeJP NA NA +PJ063501 GVQKERY C38H62N12O12 878.4611 NA PeJP NA NA +PJ063502 KKMMRW C39H66N12O7S2 878.4619 NA PeJP NA NA +PJ063503 PQHRRW C39H58N16O8 878.4624 NA PeJP NA NA +PJ063504 STKKEMR C35H66N12O12S 878.4644 NA PeJP NA NA +PJ063505 LLERYW C43H62N10O10 878.4651 NA PeJP NA NA +PJ063506 NMFRRR C36H62N16O8S 878.4658 NA PeJP NA NA +MJ096769 Bryostatin 4; Deoxy(?) C46H70O16 878.466386 NA MeJP NA NA +PJ063507 SSLKKMW C40H66N10O10S 878.4684 NA PeJP NA NA +PJ063508 GGPVKKMY C40H66N10O10S 878.4685 NA PeJP NA NA +PJ063509 VLLYWW C48H62N8O8 878.4691 NA PeJP NA NA +PJ063510 SSSTLKKE C36H66N10O15 878.4709 NA PeJP NA NA +PJ063511 VDKKKMM C37H70N10O10S2 878.4718 NA PeJP NA NA +PJ063512 QKERRY C37H62N14O11 878.4723 NA PeJP NA NA +PJ063513 GLLLMFW C45H66N8O8S 878.4725 NA PeJP NA NA +PJ063514 VVLKEEY C41H66N8O13 878.475 NA PeJP NA NA +PJ063515 STTKMRR C34H66N14O11S 878.4756 NA PeJP NA NA +PJ063516 PLLKMMF C42H70N8O8S2 878.4758 NA PeJP NA NA +PJ063517 VQKRYW C42H62N12O9 878.4763 NA PeJP NA NA +PJ063518 STTTLLLM C38H70N8O13S 878.4783 NA PeJP NA NA +PJ063519 LLLKMMM C39H74N8O8S3 878.4792 NA PeJP NA NA +PJ063520 GPKKMRY C39H66N12O9S 878.4797 NA PeJP NA NA +PJ063521 SSSTTLKR C35H66N12O14 878.4822 NA PeJP NA NA +PJ063522 SVKKMMR C36H70N12O9S2 878.483 NA PeJP NA NA +PJ063523 TCLKKMR C36H70N12O9S2 878.4831 NA PeJP NA NA +PJ063524 TQRRRY C36H62N16O10 878.4835 NA PeJP NA NA +PJ063525 SVLLERY C40H66N10O12 878.4862 NA PeJP NA NA +PJ063526 AKRRYW C41H62N14O8 878.4875 NA PeJP NA NA +MJ096770 Antibiotic YL 02107Q-A; 11-O-Deacyl C43H74O18 878.487515 NA MeJP NA NA +PJ063527 APPPRRW C41H62N14O8 878.4876 NA PeJP NA NA +PJ063528 GTTTLKKM C37H70N10O12S 878.4896 NA PeJP NA NA +PJ063529 ATLLLYW C45H66N8O10 878.4902 NA PeJP NA NA +PJ063530 AAKMFRR C38H66N14O8S 878.4909 NA PeJP NA NA +PJ063531 VLLLQMY C42H70N8O10S 878.4936 NA PeJP NA NA +PJ063532 GPTHRRR C35H62N18O9 878.4948 NA PeJP NA NA +PJ063533 GVKKERY C39H66N12O11 878.4974 NA PeJP NA NA +PJ063534 GGGAAKKKY C39H66N12O11 878.4975 NA PeJP NA NA +PJ063535 PKHRRW C40H62N16O7 878.4988 NA PeJP NA NA +PJ063536 GSTCKKKK C36H70N12O11S 878.5008 NA PeJP NA NA +PJ063537 AALKKYW C44H66N10O9 878.5015 NA PeJP NA NA +MJ096771 12-Oleanene-3,16,22,28-tetrol, 22-Tigloyl, 3-O-?-D-glucuronopyranoside, 28-O-?-L-rhamnopyranoside C47H74O15 878.502771 NA MeJP NA NA +MJ096772 Cucurbita-5,24-diene-3,7,16-triol, 16-O-(4,6-Di-O-acetyl-?-D-glucopyranoside), 3-O-(4-O-acetyl-?-D-xylopyranoside) C47H74O15 878.502771 NA MeJP NA NA +MJ096773 Cucurbita-5,24-diene-3,7,16-triol, 16-O-(6-O-Acetyl-?-D-glucopyranoside), 3-O-(3,4-di-O-acetyl-?-D-xylopyranoside) C47H74O15 878.502771 NA MeJP NA NA +PJ063538 ALLLMRY C41H70N10O9S 878.5048 NA PeJP NA NA +PJ063539 STTTTLKK C37H70N10O14 878.5073 NA PeJP NA NA +PJ063540 TLKKKMM C38H74N10O9S2 878.5082 NA PeJP NA NA +PJ063541 KKERRY C38H66N14O10 878.5087 NA PeJP NA NA +PJ063542 TLLLKEY C42H70N8O12 878.5113 NA PeJP NA NA +MJ096774 Onomycin I C43H76NO17 878.511325 NA MeJP NA NA +PJ063543 GSTLLLLY C42H70N8O12 878.5114 NA PeJP NA NA +PJ063544 VKKRYW C43H66N12O8 878.5127 NA PeJP NA NA +MJ096775 Dolastatin 16 C47H70N6O10 878.515342 NA MeJP NA NA +PJ063545 GLKKMFR C40H70N12O8S 878.5161 NA PeJP NA NA +PJ063546 SSSSKKKK C36H70N12O13 878.5186 NA PeJP NA NA +PJ063547 TKRRRY C37H66N16O9 878.5199 NA PeJP NA NA +PJ063548 TTLLLRY C41H70N10O11 878.5226 NA PeJP NA NA +PJ063549 PVLLKFY C46H70N8O9 878.5266 NA PeJP NA NA +PJ063550 VLLLKMY C43H74N8O9S 878.53 NA PeJP NA NA +PJ063551 AALHRRR C36H66N18O8 878.5312 NA PeJP NA NA +PJ063552 ATLKKRY C40H70N12O10 878.5338 NA PeJP NA NA +PJ063553 ALLLFFR C45H70N10O8 878.5378 NA PeJP NA NA +PJ063554 VVLLLHW C45H70N10O8 878.5379 NA PeJP NA NA +PJ063555 VVKKKMF C42H74N10O8S 878.5412 NA PeJP NA NA +PJ063556 VHRRRR C35H66N20O7 878.5424 NA PeJP NA NA +PJ063557 PPLLQRR C39H70N14O9 878.5451 NA PeJP NA NA +PJ063558 PPVVLLLE C43H74N8O11 878.5478 NA PeJP NA NA +PJ063559 PPVVRRR C38H70N16O8 878.5563 NA PeJP NA NA +PJ063560 SLLKKKY C42H74N10O10 878.559 NA PeJP NA NA +PJ063561 VLLLKFF C47H74N8O8 878.563 NA PeJP NA NA +PJ063562 GKKKKKY C41H74N12O9 878.5702 NA PeJP NA NA +PJ063563 VVLKKHR C40H74N14O8 878.5814 NA PeJP NA NA +PJ063564 PPLLKRR C40H74N14O8 878.5815 NA PeJP NA NA +PJ063565 PPTLLLLL C44H78N8O10 878.5841 NA PeJP NA NA +PJ063566 APPLLLKK C43H78N10O9 878.5954 NA PeJP NA NA +PJ063567 LLLKKKH C42H78N12O8 878.6066 NA PeJP NA NA +PJ063568 PVVLLLLL C45H82N8O9 878.6205 NA PeJP NA NA +MJ096776 Huratoxin; 20-Eicosanoyl C54H86O9 878.627184 NA MeJP NA NA +HMDB05391 TG(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H98O6 878.736328 NA HMDB2010 NA NA +HMDB05441 TG(16:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H98O6 878.736328 NA HMDB2010 NA NA +HMDB05474 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C57H98O6 878.736328 NA HMDB2010 NA NA +HMDB10418 TG(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] C57H98O6 878.736328 NA HMDB2010 NA NA +HMDB10453 TG(18:1(9Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C57H98O6 878.736328 NA HMDB2010 NA NA +HMDB10481 TG(18:2(9Z,12Z)/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6] C57H98O6 878.736328 NA HMDB2010 NA NA +HMDB10482 TG(18:2(9Z,12Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6] C57H98O6 878.736328 NA HMDB2010 NA NA +HMDB10501 TG(18:3(9Z,12Z,15Z)/18:0/18:3(9Z,12Z,15Z))[iso3] C57H98O6 878.736328 NA HMDB2010 NA NA +HMDB05391 TG(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H98O6 878.73633 http://www.hmdb.ca/metabolites/HMDB05391 HMDB NA NA +HMDB05441 TG(16:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H98O6 878.73633 http://www.hmdb.ca/metabolites/HMDB05441 HMDB NA NA +HMDB05474 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C57H98O6 878.73633 http://www.hmdb.ca/metabolites/HMDB05474 HMDB NA NA +HMDB05391 TG(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H98O6 878.73633 HMDB05391 PFEM_hmdb_metabocards_official NA NA +HMDB05441 TG(16:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H98O6 878.73633 HMDB05441 PFEM_hmdb_metabocards_official NA NA +HMDB05474 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C57H98O6 878.73633 HMDB05474 PFEM_hmdb_metabocards_official NA NA +MJ096777 Glycerol tri-9,12-octadecadienoate C57H98O6 878.73634 NA MeJP NA NA +HMDB01290 Glutaconyl-CoA C26H40N7O19P3S 879.131226 NA HMDB2010 NA NA +HMDB03377 Itaconyl-CoA C26H40N7O19P3S 879.131226 NA HMDB2010 NA NA +HMDB01290 Glutaconyl-CoA C26H40N7O19P3S 879.13123 http://www.hmdb.ca/metabolites/HMDB01290 HMDB NA NA +HMDB03377 Itaconyl-CoA C26H40N7O19P3S 879.13123 http://www.hmdb.ca/metabolites/HMDB03377 HMDB NA NA +HMDB01290 Glutaconyl-CoA C26H40N7O19P3S 879.13123 HMDB01290 PFEM_hmdb_metabocards_official NA NA +HMDB03377 Itaconyl-CoA C26H40N7O19P3S 879.13123 HMDB03377 PFEM_hmdb_metabocards_official NA NA +MJ096778 Glutaconyl-1-CoA C26H40N7O19P3S 879.131252 NA MeJP NA NA +MJ096779 Itaconyl-CoA C26H40N7O19P3S 879.131252 NA MeJP NA NA +MetaCyc04229 glutaconyl-CoA [glutaconyl-coenzyme A;pent-2-enoyl-CoA;glutaconyl-1-CoA;4-carboxybut-2-enoyl-CoA;] C26H40N7O19P3S1 879.131252 05/06/6712 metacyc NA NA +MetaCyc04230 itaconyl-CoA [] C26H40N7O19P3S1 879.131252 NA metacyc NA NA +C00531 Itaconyl-CoA C26H40N7O19P3S 879.1313 NA KEGG NA NA +C02411 Glutaconyl-1-CoA C26H40N7O19P3S 879.1313 NA KEGG NA NA +C02412 Glycyl-tRNA(Gly) C12H20NO11PR2 879.1313 NA KEGG NA NA +C06028 Mesaconyl-CoA C26H40N7O19P3S 879.1313 NA KEGG NA NA +PJ063569 CCCCCCNE C27H45N9O12S6 879.1512 NA PeJP NA NA +PJ063570 GCCCCCCW C31H45N9O9S6 879.1665 NA PeJP NA NA +C05269 3-Oxohexanoyl-CoA C27H44N7O18P3S 879.1676 NA KEGG NA NA +MetaCyc04231 6-hydroxy-3-hexenoyl-CoA [] C27H44N7O18P3S1 879.167638 NA metacyc NA NA +MetaCyc04232 ketohexanoyl-CoA [3-Oxohexanoyl-CoA;K-hexanoyl-CoA;ketohexanoyl-coenzyme-A;] C27H44N7O18P3S1 879.167638 5096-70-8 metacyc NA NA +HMDB03943 3-Oxohexanoyl-CoA C27H44N7O18P3S 879.167664 NA HMDB2010 NA NA +PJ063571 GSSCCCCCD C27H45N9O14S5 879.169 NA PeJP NA NA +C00692 UDP-N-acetylmuramoyl-L-alanyl-D-glutamate C28H43N5O23P2 879.1824 NA KEGG NA NA +C00693 trans-2,3-Dehydroacyl-[acyl-carrier protein] C3H2OSR2 879.1824 NA KEGG NA NA +C00694 beta-D-Galactosyl-1,4-N-acetyl-D-glucosaminyl-R C14H24NO11R 879.1824 NA KEGG NA NA +MetaCyc04233 UDP-N-acetylmuramoyl-L-alanyl-D-glutamate [] C28H43N5O23P2 879.182406 NA metacyc NA NA +PJ063572 SCCCCCQM C28H49N9O11S6 879.1876 NA PeJP NA NA +PJ063573 SCCCCCCR C27H49N11O10S6 879.1989 NA PeJP NA NA +PJ063574 GCCCCNDY C31H45N9O13S4 879.202 NA PeJP NA NA +HMDB11660 2-Methylhexanoyl-CoA C28H48N7O17P3S 879.204041 NA HMDB2010 NA NA +PJ063575 GSSSCCCCM C28H49N9O13S5 879.2054 NA PeJP NA NA +PJ063576 GCCCCNMF C32H49N9O10S5 879.2206 NA PeJP NA NA +PJ063577 SSSSTCCCC C28H49N9O15S4 879.2231 NA PeJP NA NA +PJ063578 SCCCCCKM C29H53N9O10S6 879.224 NA PeJP NA NA +PJ063579 CCDDMMY C33H49N7O13S4 879.2272 NA PeJP NA NA +PJ063580 GCCCNDEH C30H45N11O14S3 879.231 NA PeJP NA NA +PJ063581 CCMMMMM C31H57N7O8S7 879.2314 NA PeJP NA NA +PJ063582 GNDDDDDD C30H41N9O22 879.2367 NA PeJP NA NA +PJ063583 GSCCCNMY C32H49N9O12S4 879.2384 NA PeJP NA NA +PJ063584 CCDDDFY C36H45N7O15S2 879.2415 NA PeJP NA NA +PJ063585 CCDMMMF C34H53N7O10S5 879.2458 NA PeJP NA NA +PJ063586 CCCNDHW C34H45N11O11S3 879.2463 NA PeJP NA NA +PJ063587 SSCCNDDH C30H45N11O16S2 879.2488 NA PeJP NA NA +PJ063588 SPCCCCQH C31H49N11O11S4 879.2496 NA PeJP NA NA +PJ063589 SPCNDDDD C31H45N9O19S 879.2553 NA PeJP NA NA +PJ063590 SSSCCCQY C32H49N9O14S3 879.2561 NA PeJP NA NA +PJ063591 CDDEMMH C32H49N9O14S3 879.2562 NA PeJP NA NA +PJ063592 ACCCCCKF C33H53N9O9S5 879.257 NA PeJP NA NA +PJ063593 SCDDDYY C36H45N7O17S 879.2593 NA PeJP NA NA +PJ063594 PCCCEYY C37H49N7O12S3 879.2602 NA PeJP NA NA +PJ063595 DDDEEEE C32H45N7O22 879.2618 NA PeJP NA NA +PJ063596 SCDMMMY C34H53N7O12S4 879.2635 NA PeJP NA NA +PJ063597 CCCMHHF C35H49N11O8S4 879.2649 NA PeJP NA NA +PJ063598 GCNNNDDE C30H45N11O18S 879.2665 NA PeJP NA NA +PJ063599 GSCCNEMH C31H49N11O13S3 879.2674 NA PeJP NA NA +PJ063600 CDDDEHF C35H45N9O16S 879.2705 NA PeJP NA NA +PJ063601 GPPCCCDW C36H49N9O11S3 879.2714 NA PeJP NA NA +PJ063602 GSNDDDEE C31H45N9O21 879.273 NA PeJP NA NA +PJ063603 GGGSDDDEE C31H45N9O21 879.2731 NA PeJP NA NA +PJ063604 GSSSSSCCY C32H49N9O16S2 879.2739 NA PeJP NA NA +PJ063605 GTCCCCKY C33H53N9O11S4 879.2748 NA PeJP NA NA +PJ063606 CCDEHHH C33H45N13O12S2 879.2753 NA PeJP NA NA +PJ063607 GCDEMYY C37H49N7O14S2 879.2779 NA PeJP NA NA +PJ063608 GSCCCDHR C30H49N13O12S3 879.2786 NA PeJP NA NA +PJ063609 CNNNDDW C34H45N11O15S 879.2818 NA PeJP NA NA +PJ063610 ACMMMMY C35H57N7O9S5 879.2822 NA PeJP NA NA +PJ063611 SCCNMHW C35H49N11O10S3 879.2826 NA PeJP NA NA +PJ063612 GGGPCCCHF C35H49N11O10S3 879.2827 NA PeJP NA NA +PJ063613 SSNNNDDD C30H45N11O20 879.2843 NA PeJP NA NA +PJ063614 SSSCNDMH C31H49N11O15S2 879.2851 NA PeJP NA NA +PJ063615 GPCCDDDR C31H49N11O15S2 879.2852 NA PeJP NA NA +PJ063616 CNNMMMH C32H53N11O10S4 879.286 NA PeJP NA NA +PJ063617 SNDDDEW C35H45N9O18 879.2883 NA PeJP NA NA +PJ063618 SCCNQYY C36H49N9O13S2 879.2891 NA PeJP NA NA +PJ063619 PCNDDMW C36H49N9O13S2 879.2892 NA PeJP NA NA +PJ063620 NNDEEEM C32H49N9O18S 879.2917 NA PeJP NA NA +PJ063621 SSSCCCKY C33H53N9O13S3 879.2925 NA PeJP NA NA +PJ063622 CDMYYW C41H49N7O11S2 879.2932 NA PeJP NA NA +PJ063623 PCMMMMH C34H57N9O8S5 879.2934 NA PeJP NA NA +PJ063624 SSDDMYY C37H49N7O16S 879.2957 NA PeJP NA NA +PJ063625 GCNNNNNM C30H49N13O14S2 879.2964 NA PeJP NA NA +PJ063626 PTCCMYY C38H53N7O11S3 879.2965 NA PeJP NA NA +PJ063627 GCEMMFY C38H53N7O11S3 879.2966 NA PeJP NA NA +PJ063628 CCCQMHR C31H53N13O9S4 879.2972 NA PeJP NA NA +PJ063629 GACCCMHR C31H53N13O9S4 879.2973 NA PeJP NA NA +PJ063630 SEEEEEE C33H49N7O21 879.2982 NA PeJP NA NA +PJ063631 PDEEEMM C34H53N7O16S2 879.2991 NA PeJP NA NA +PJ063632 SSMMMMY C35H57N7O11S4 879.2999 NA PeJP NA NA +PJ063633 GSSTCCHW C35H49N11O12S2 879.3004 NA PeJP NA NA +PJ063634 NDDDDMR C31H49N11O17S 879.3029 NA PeJP NA NA +PJ063635 GSDDDWW C39H45N9O15 879.3036 NA PeJP NA NA +PJ063636 SPPCCCDR C32H53N11O12S3 879.3038 NA PeJP NA NA +PJ063637 GPCCEWW C40H49N9O10S2 879.3044 NA PeJP NA NA +PJ063638 GNDEEMW C36H49N9O15S 879.3069 NA PeJP NA NA +PJ063639 GSPPCCMW C37H53N9O10S3 879.3078 NA PeJP NA NA +PJ063640 CCCCHRR C30H53N15O8S4 879.3085 NA PeJP NA NA +PJ063641 GSSNEEEE C32H49N9O20 879.3094 NA PeJP NA NA +PJ063642 GSPNDEMM C33H53N9O15S2 879.3103 NA PeJP NA NA +PJ063643 NNDDEHH C33H45N13O16 879.3108 NA PeJP NA NA +PJ063644 GPCDYYY C41H49N7O13S 879.3109 NA PeJP NA NA +PJ063645 AEMMMMH C34H57N9O10S4 879.3112 NA PeJP NA NA +PJ063646 SCEMHHH C34H49N13O11S2 879.3116 NA PeJP NA NA +PJ063647 CMMFYW C42H53N7O8S3 879.3118 NA PeJP NA NA +PJ063648 PDDEEEF C37H49N7O18 879.3135 NA PeJP NA NA +PJ063649 GSCNNDDR C30H49N13O16S 879.3141 NA PeJP NA NA +PJ063650 GGGGGSCDDR C30H49N13O16S 879.3142 NA PeJP NA NA +PJ063651 GSEMMYY C38H53N7O13S2 879.3143 NA PeJP NA NA +PJ063652 GSSCCMHR C31H53N13O11S3 879.315 NA PeJP NA NA +PJ063653 ACMMMFF C39H57N7O8S4 879.3152 NA PeJP NA NA +PJ063654 ACCNHFW C39H49N11O9S2 879.3156 NA PeJP NA NA +PJ063655 GCCQHFW C39H49N11O9S2 879.3157 NA PeJP NA NA +PJ063656 VDEEEEM C34H53N7O18S 879.3168 NA PeJP NA NA +PJ063657 SSSSSCHW C35H49N11O14S 879.3181 NA PeJP NA NA +PJ063658 GCDDERW C35H49N11O14S 879.3182 NA PeJP NA NA +PJ063659 TCCCKHW C36H53N11O9S3 879.319 NA PeJP NA NA +PJ063660 PCCWWW C44H49N9O7S2 879.3197 NA PeJP NA NA +PJ063661 SSSSSSSDH C31H49N11O19 879.3206 NA PeJP NA NA +PJ063662 GSSDDDER C31H49N11O19 879.3207 NA PeJP NA NA +PJ063663 GSPCDDMR C32H53N11O14S2 879.3215 NA PeJP NA NA +PJ063664 GGGGGGGAEMM C32H53N11O14S2 879.3216 NA PeJP NA NA +PJ063665 NDEMWW C40H49N9O12S 879.3222 NA PeJP NA NA +PJ063666 APPCCCMR C33H57N11O9S4 879.3224 NA PeJP NA NA +PJ063667 SSNEEEW C36H49N9O17 879.3247 NA PeJP NA NA +PJ063668 SPNDMMW C37H53N9O12S2 879.3255 NA PeJP NA NA +PJ063669 GGSPDMMW C37H53N9O12S2 879.3256 NA PeJP NA NA +PJ063670 GNDDHHW C37H45N13O13 879.326 NA PeJP NA NA +PJ063671 CDFFYW C45H49N7O10S 879.3262 NA PeJP NA NA +PJ063672 PCCHHHF C38H49N13O8S2 879.3269 NA PeJP NA NA +PJ063673 SQQEEEM C33H53N9O17S 879.328 NA PeJP NA NA +PJ063674 GGTQEEEM C33H53N9O17S 879.3281 NA PeJP NA NA +PJ063675 NEEYYY C41H49N7O15 879.3287 NA PeJP NA NA +PJ063676 TTEMMMH C34H57N9O12S3 879.3289 NA PeJP NA NA +PJ063677 GSPCNEHH C34H49N13O13S 879.3294 NA PeJP NA NA +PJ063678 SMMYYW C42H53N7O10S2 879.3296 NA PeJP NA NA +PJ063679 GMMMHHH C35H53N13O8S3 879.3303 NA PeJP NA NA +PJ063680 GSSSSNNNN C30H49N13O18 879.3319 NA PeJP NA NA +PJ063681 SSTEMYY C38H53N7O15S 879.3321 NA PeJP NA NA +PJ063682 SSSTCCHR C31H53N13O13S2 879.3328 NA PeJP NA NA +PJ063683 AAMMMYY C39H57N7O10S3 879.3329 NA PeJP NA NA +PJ063684 CDDRWW C39H49N11O11S 879.3334 NA PeJP NA NA +PJ063685 CCCKMHR C32H57N13O8S4 879.3336 NA PeJP NA NA +PJ063686 SSDDDRW C35H49N11O16 879.3359 NA PeJP NA NA +PJ063687 SPCCERW C36H53N11O11S2 879.3368 NA PeJP NA NA +PJ063688 GDMWWW C44H49N9O9S 879.3374 NA PeJP NA NA +PJ063689 SNDEEMR C32H53N11O16S 879.3393 NA PeJP NA NA +PJ063690 GSSEEWW C40H49N9O14 879.3399 NA PeJP NA NA +PJ063691 PCNEMMR C33H57N11O11S3 879.3401 NA PeJP NA NA +PJ063692 GGPCEMMR C33H57N11O11S3 879.3402 NA PeJP NA NA +PJ063693 NNNNMHH C33H49N15O12S 879.3406 NA PeJP NA NA +PJ063694 GGGGGGGGMHH C33H49N15O12S 879.3407 NA PeJP NA NA +PJ063695 GPTCMWW C41H53N9O9S2 879.3408 NA PeJP NA NA +PJ063696 GTQEEMW C37H53N9O14S 879.3433 NA PeJP NA NA +PJ063697 GEYYYW C45H49N7O12 879.3439 NA PeJP NA NA +PJ063698 CCNNDRR C30H53N15O12S2 879.344 NA PeJP NA NA +PJ063699 GPQMMMW C38H57N9O9S3 879.3442 NA PeJP NA NA +PJ063700 SPCNHHW C38H49N13O10S 879.3446 NA PeJP NA NA +PJ063701 GGSPCHHW C38H49N13O10S 879.3447 NA PeJP NA NA +PJ063702 CMFFFW C46H53N7O7S2 879.3448 NA PeJP NA NA +PJ063703 GSSDKEEE C33H53N9O19 879.3458 NA PeJP NA NA +MJ096780 Taxol?; N-Debenzoyl, N-cinnamoyl C49H53NO14 879.346605 NA MeJP NA NA +PJ063704 VNQEEMM C34H57N9O14S2 879.3467 NA PeJP NA NA +PJ063705 NNNNNQY C34H49N13O15 879.3471 NA PeJP NA NA +PJ063706 GGGGGGNNQY C34H49N13O15 879.3472 NA PeJP NA NA +PJ063707 GSPMYYY C42H53N7O12S 879.3473 NA PeJP NA NA +PJ063708 SLMMMMH C35H61N9O9S4 879.3475 NA PeJP NA NA +PJ063709 APPCCKMM C35H61N9O9S4 879.3476 NA PeJP NA NA +PJ063710 GCNNMRW C35H53N13O10S2 879.348 NA PeJP NA NA +PJ063711 PVDEEEY C38H53N7O17 879.3498 NA PeJP NA NA +PJ063712 SCDDERR C31H53N13O15S 879.3505 NA PeJP NA NA +PJ063713 ATTMMYY C39H57N7O12S2 879.3507 NA PeJP NA NA +PJ063714 SSSNNWW C39H49N11O13 879.3512 NA PeJP NA NA +PJ063715 PCCDMRR C32H57N13O10S3 879.3514 NA PeJP NA NA +PJ063716 GCCKHFW C40H53N11O8S2 879.352 NA PeJP NA NA +PJ063717 TLEEEEM C35H57N7O17S 879.3532 NA PeJP NA NA +PJ063718 PLEEMMM C36H61N7O12S3 879.3541 NA PeJP NA NA +PJ063719 GSDEMRW C36H53N11O13S 879.3545 NA PeJP NA NA +PJ063720 GGGGGGTTMW C36H53N11O13S 879.3546 NA PeJP NA NA +PJ063721 SSEWWW C44H49N9O11 879.3552 NA PeJP NA NA +PJ063722 GPCMMRW C37H57N11O8S3 879.3554 NA PeJP NA NA +PJ063723 GSSSEEER C32H53N11O18 879.357 NA PeJP NA NA +PJ063724 GGGGSSSDKE C32H53N11O18 879.3571 NA PeJP NA NA +PJ063725 GQEEMMR C33H57N11O13S2 879.3579 NA PeJP NA NA +PJ063726 SNDDHHR C33H49N15O14 879.3584 NA PeJP NA NA +PJ063727 TQEMWW C41H53N9O11S 879.3586 NA PeJP NA NA +PJ063728 CCKKMMH C34H61N11O8S4 879.3588 NA PeJP NA NA +PJ063729 YYYWW C49H49N7O9 879.3592 NA PeJP NA NA +PJ063730 PCCQHHR C34H53N15O9S2 879.3593 NA PeJP NA NA +PJ063731 STTQEEW C37H53N9O16 879.361 NA PeJP NA NA +PJ063732 SSDKEEW C37H53N9O16 879.3611 NA PeJP NA NA +PJ063733 GVQEMMW C38H57N9O11S2 879.3619 NA PeJP NA NA +PJ063734 GSQEHHW C38H49N13O12 879.3624 NA PeJP NA NA +PJ063735 AMFYYW C46H53N7O9S 879.3626 NA PeJP NA NA +PJ063736 SQKEEEM C34H57N9O16S 879.3644 NA PeJP NA NA +PJ063737 DKEYYY C42H53N7O14 879.3651 NA PeJP NA NA +PJ063738 PNKEMMM C35H61N9O11S3 879.3653 NA PeJP NA NA +PJ063739 SSCNQRW C35H53N13O12S 879.3658 NA PeJP NA NA +PJ063740 AAMMFFY C43H57N7O9S2 879.3659 NA PeJP NA NA +PJ063741 GCLMFFY C43H57N7O9S2 879.366 NA PeJP NA NA +PJ063742 NNNFWW C43H49N11O10 879.3664 NA PeJP NA NA +PJ063743 SSSSNNER C31H53N13O17 879.3683 NA PeJP NA NA +PJ063744 TTTTMYY C39H57N7O14S 879.3684 NA PeJP NA NA +PJ063745 PVEEEMF C39H57N7O14S 879.3685 NA PeJP NA NA +PJ063746 ACDEMRR C32H57N13O12S2 879.3691 NA PeJP NA NA +PJ063747 GDDMMRR C32H57N13O12S2 879.3692 NA PeJP NA NA +PJ063748 SDMRWW C40H53N11O10S 879.3698 NA PeJP NA NA +PJ063749 VLEEEMM C36H61N7O14S2 879.3718 NA PeJP NA NA +PJ063750 SSSEERW C36H53N11O15 879.3723 NA PeJP NA NA +PJ063751 QEMMRW C37H57N11O10S2 879.3732 NA PeJP NA NA +PJ063752 SPEHHHH C37H49N15O11 879.3736 NA PeJP NA NA +PJ063753 ATMWWW C45H53N9O8S 879.3738 NA PeJP NA NA +PJ063754 STQEEMR C33H57N11O15S 879.3757 NA PeJP NA NA +PJ063755 GTTTEWW C41H53N9O13 879.3763 NA PeJP NA NA +PJ063756 SPQMMMR C34H61N11O10S3 879.3765 NA PeJP NA NA +PJ063757 GGGPCCKKM C34H61N11O10S3 879.3766 NA PeJP NA NA +PJ063758 GNEMHHR C34H53N15O11S 879.377 NA PeJP NA NA +PJ063759 VQMMWW C42H57N9O8S2 879.3772 NA PeJP NA NA +PJ063760 SQHHWW C42H49N13O9 879.3777 NA PeJP NA NA +PJ063761 GTKEEMW C38H57N9O13S 879.3797 NA PeJP NA NA +PJ063762 SVYYYW C46H53N7O11 879.3803 NA PeJP NA NA +PJ063763 SCNNMRR C31H57N15O11S2 879.3804 NA PeJP NA NA +PJ063764 GPKMMMW C39H61N9O8S3 879.3806 NA PeJP NA NA +PJ063765 AAQMHHW C39H53N13O9S 879.381 NA PeJP NA NA +PJ063766 GSTTKEEE C34H57N9O18 879.3822 NA PeJP NA NA +PJ063767 VNKEEMM C35H61N9O13S2 879.3831 NA PeJP NA NA +PJ063768 GSSSSNRW C35H53N13O14 879.3835 NA PeJP NA NA +PJ063769 GGGGGGAERY C35H53N13O14 879.3836 NA PeJP NA NA +PJ063770 LQMYYY C43H57N7O11S 879.3837 NA PeJP NA NA +PJ063771 CEMRRW C36H57N13O9S2 879.3844 NA PeJP NA NA +PJ063772 GQQHHHH C36H49N17O10 879.3849 NA PeJP NA NA +PJ063773 PTLEEEY C39H57N7O16 879.3862 NA PeJP NA NA +PJ063774 SSDEMRR C32H57N13O14S 879.3869 NA PeJP NA NA +PJ063775 PPLEMMY C40H61N7O11S2 879.3871 NA PeJP NA NA +PJ063776 QQQQYW C40H53N11O12 879.3875 NA PeJP NA NA +PJ063777 GSPDRYW C40H53N11O12 879.3876 NA PeJP NA NA +PJ063778 SPCMMRR C33H61N13O9S3 879.3878 NA PeJP NA NA +PJ063779 GCDHHRR C33H53N17O10S 879.3883 NA PeJP NA NA +PJ063780 AMMRWW C41H57N11O7S2 879.3884 NA PeJP NA NA +PJ063781 GTTEMRW C37H57N11O12S 879.3909 NA PeJP NA NA +PJ063782 GGGGGGGALMF C37H57N11O12S 879.391 NA PeJP NA NA +PJ063783 TTTWWW C45H53N9O10 879.3916 NA PeJP NA NA +PJ063784 NMHHRW C38H53N15O8S 879.3923 NA PeJP NA NA +PJ063785 GSTTTEER C33H57N11O17 879.3934 NA PeJP NA NA +PJ063786 GKEEMMR C34H61N11O12S2 879.3943 NA PeJP NA NA +PJ063787 SSQEHHR C34H53N15O13 879.3948 NA PeJP NA NA +PJ063788 TKEMWW C42H57N9O10S 879.3949 NA PeJP NA NA +PJ063789 GGGPLMYW C42H57N9O10S 879.395 NA PeJP NA NA +PJ063790 AFFFYW C50H53N7O8 879.3956 NA PeJP NA NA +PJ063791 STTKEEW C38H57N9O15 879.3974 NA PeJP NA NA +PJ063792 GGPTKEEY C38H57N9O15 879.3975 NA PeJP NA NA +PJ063793 GSSSCQRR C31H57N15O13S 879.3981 NA PeJP NA NA +PJ063794 GVKEMMW C39H61N9O10S2 879.3983 NA PeJP NA NA +PJ063795 NNQRYW C39H53N13O11 879.3988 NA PeJP NA NA +PJ063796 AAMFFFF C47H57N7O8S 879.399 NA PeJP NA NA +PJ063797 SKKEEEM C35H61N9O15S 879.4008 NA PeJP NA NA +PJ063798 GTTLYYY C43H57N7O13 879.4015 NA PeJP NA NA +PJ063799 PDKKMMM C36H65N9O10S3 879.4017 NA PeJP NA NA +PJ063800 SSCNKRW C36H57N13O11S 879.4021 NA PeJP NA NA +PJ063801 GGSSCKRW C36H57N13O11S 879.4022 NA PeJP NA NA +PJ063802 GEFRWW C44H53N11O9 879.4028 NA PeJP NA NA +PJ063803 SSSSTQQR C32H57N13O16 879.4046 NA PeJP NA NA +PJ063804 SSSSNDKR C32H57N13O16 879.4047 NA PeJP NA NA +PJ063805 PVLEEMY C40H61N7O13S 879.4048 NA PeJP NA NA +PJ063806 GTEMMRR C33H61N13O11S2 879.4055 NA PeJP NA NA +PJ063807 TTMRWW C41H57N11O9S 879.4062 NA PeJP NA NA +PJ063808 GVFWWW C49H53N9O7 879.4068 NA PeJP NA NA +PJ063809 STTTERW C37H57N11O14 879.4087 NA PeJP NA NA +PJ063810 ATCLMRW C38H61N11O9S2 879.4095 NA PeJP NA NA +PJ063811 KEMMRW C38H61N11O9S2 879.4096 NA PeJP NA NA +PJ063812 GSTHHRW C38H53N15O10 879.41 NA PeJP NA NA +PJ063813 LMHFFW C46H57N9O7S 879.4102 NA PeJP NA NA +PJ063814 SSPTTTMR C34H61N11O14S 879.412 NA PeJP NA NA +PJ063815 STKEEMR C34H61N11O14S 879.4121 NA PeJP NA NA +PJ063816 SSTTLWW C42H57N9O12 879.4127 NA PeJP NA NA +PJ063817 SPKMMMR C35H65N11O9S3 879.4129 NA PeJP NA NA +PJ063818 GCNQFRR C35H57N15O10S 879.4134 NA PeJP NA NA +PJ063819 VKMMWW C43H61N9O7S2 879.4136 NA PeJP NA NA +PJ063820 SKHHWW C43H53N13O8 879.414 NA PeJP NA NA +PJ063821 GVHHHFF C43H53N13O8 879.4141 NA PeJP NA NA +PJ063822 SSSSSNRR C31H57N15O15 879.4159 NA PeJP NA NA +PJ063823 SSLKEMW C39H61N9O12S 879.4161 NA PeJP NA NA +PJ063824 PKFYYY C47H57N7O10 879.4167 NA PeJP NA NA +PJ063825 SCCQKRR C32H61N15O10S2 879.4168 NA PeJP NA NA +PJ063826 PCRRYW C40H57N13O8S 879.4174 NA PeJP NA NA +PJ063827 FRWWW C48H53N11O6 879.4181 NA PeJP NA NA +PJ063828 SSSTLKEE C35H61N9O17 879.4186 NA PeJP NA NA +PJ063829 VDKKEMM C36H65N9O12S2 879.4194 NA PeJP NA NA +PJ063830 GATLKEMM C36H65N9O12S2 879.4195 NA PeJP NA NA +PJ063831 QEERRY C36H57N13O13 879.4199 NA PeJP NA NA +PJ063832 LKMYYY C44H61N7O10S 879.4201 NA PeJP NA NA +PJ063833 TMMRRW C37H61N13O8S2 879.4208 NA PeJP NA NA +PJ063834 GQKHHHH C37H53N17O9 879.4213 NA PeJP NA NA +2572 vasopressin CYFQNCPRG~ 879.4219 antibacterial Inhouse_peptide NA peptide +PJ063835 VVLEEEY C40H61N7O15 879.4226 NA PeJP NA NA +PJ063836 STTEMRR C33H61N13O13S 879.4233 NA PeJP NA NA +PJ063837 PLLEMMF C41H65N7O10S2 879.4235 NA PeJP NA NA +PJ063838 VQERYW C41H57N11O11 879.4239 NA PeJP NA NA +PJ063839 GGGGGVKYW C41H57N11O11 879.424 NA PeJP NA NA +PJ063840 GVMMMRR C34H65N13O8S3 879.4242 NA PeJP NA NA +PJ063841 GSMHHRR C34H57N17O9S 879.4246 NA PeJP NA NA +PJ063842 HHHFFR C42H53N15O7 879.4253 NA PeJP NA NA +PJ063843 LLLEMMM C38H69N7O10S3 879.4268 NA PeJP NA NA +PJ063844 SSTLMRW C38H61N11O11S 879.4273 NA PeJP NA NA +PJ063845 PTKYWW C46H57N9O9 879.428 NA PeJP NA NA +PJ063846 SSSTTLER C34H61N11O16 879.4298 NA PeJP NA NA +PJ063847 SVKEMMR C35H65N11O11S2 879.4307 NA PeJP NA NA +PJ063848 GSNQRRY C35H57N15O12 879.4311 NA PeJP NA NA +PJ063849 DDRRRY C35H57N15O12 879.4312 NA PeJP NA NA +PJ063850 GPVKMYW C43H61N9O9S 879.4313 NA PeJP NA NA +PJ063851 SSSSTLLW C39H61N9O14 879.4338 NA PeJP NA NA +PJ063852 GGPPPVLDE C39H61N9O14 879.4339 NA PeJP NA NA +PJ063853 GSSSCKRR C32H61N15O12S 879.4345 NA PeJP NA NA +PJ063854 ATLKMMW C40H65N9O9S2 879.4347 NA PeJP NA NA +PJ063855 AERRYW C40H57N13O10 879.4352 NA PeJP NA NA +PJ063856 MMMRRR C33H65N15O7S3 879.4354 NA PeJP NA NA +PJ063857 GTTTLKEM C36H65N9O14S 879.4372 NA PeJP NA NA +PJ063858 PPVLEYY C44H61N7O12 879.4379 NA PeJP NA NA +PJ063859 VLQKMMM C37H69N9O9S3 879.4381 NA PeJP NA NA +PJ063860 GPTMRRY C37H61N13O10S 879.4385 NA PeJP NA NA +PJ063861 AAEMFRR C37H61N13O10S 879.4386 NA PeJP NA NA +PJ063862 GLRYWW C45H57N11O8 879.4392 NA PeJP NA NA +PJ063863 SSSSTQKR C33H61N13O15 879.441 NA PeJP NA NA +PJ063864 VLLEEMF C41H65N7O12S 879.4412 NA PeJP NA NA +PJ063865 SSLMMRR C34H65N13O10S2 879.4419 NA PeJP NA NA +PJ063866 SSTHHRR C34H57N17O11 879.4424 NA PeJP NA NA +PJ063867 PKMRYW C42H61N11O8S 879.4426 NA PeJP NA NA +PJ063868 GSSSTKKW C38H61N11O13 879.4451 NA PeJP NA NA +PJ063869 GCKKKMW C39H65N11O8S2 879.4459 NA PeJP NA NA +PJ063870 PEHRRW C39H57N15O9 879.4464 NA PeJP NA NA +PJ063871 SSSSLLMR C35H65N11O13S 879.4484 NA PeJP NA NA +PJ063872 AALKEYW C43H61N9O11 879.4491 NA PeJP NA NA +PJ063873 ALKMMMR C36H69N11O8S3 879.4493 NA PeJP NA NA +PJ063874 DMFRRR C36H61N15O9S 879.4498 NA PeJP NA NA +PJ063875 PVHRWW C44H57N13O7 879.4504 NA PeJP NA NA +PJ063876 TTTLKMW C40H65N9O11S 879.4525 NA PeJP NA NA +PJ063877 LKFFYY C48H61N7O9 879.4531 NA PeJP NA NA +PJ063878 CLFRRW C41H61N13O7S 879.4538 NA PeJP NA NA +PJ063879 STTTTLKE C36H65N9O16 879.4549 NA PeJP NA NA +PJ063880 TTTTTLDK C36H65N9O16 879.455 NA PeJP NA NA +PJ063881 TLKKEMM C37H69N9O11S2 879.4558 NA PeJP NA NA +PJ063882 KEERRY C37H61N13O12 879.4563 NA PeJP NA NA +PJ063883 PPLLMFY C45H65N7O9S 879.4565 NA PeJP NA NA +PJ063884 QHHFRR C38H57N17O8 879.4576 NA PeJP NA NA +PJ063885 GAHHFRR C38H57N17O8 879.4577 NA PeJP NA NA +PJ063886 TLLLEEY C41H65N7O14 879.459 NA PeJP NA NA +PJ063887 GSSSKKMR C34H65N13O12S 879.4597 NA PeJP NA NA +PJ063888 PLLLMMY C42H69N7O9S2 879.4599 NA PeJP NA NA +PJ063889 VKERYW C42H61N11O10 879.4603 NA PeJP NA NA +PJ063890 STCKKKW C39H65N11O10S 879.4637 NA PeJP NA NA +PJ063891 VVKYWW C47H61N9O8 879.4643 NA PeJP NA NA +PJ063892 PPPVVWW C47H61N9O8 879.4644 NA PeJP NA NA +PJ063893 STTTTTLR C35H65N11O15 879.4662 NA PeJP NA NA +PJ063894 TTLKMMR C36H69N11O10S2 879.4671 NA PeJP NA NA +PJ063895 TERRRY C36H61N15O11 879.4675 NA PeJP NA NA +PJ063896 GGGSPPPRR C36H61N15O11 879.4676 NA PeJP NA NA +PJ063897 GVLKMFW C44H65N9O8S 879.4677 NA PeJP NA NA +PJ063898 ALKKEEY C40H65N9O13 879.4702 NA PeJP NA NA +PJ063899 PVKKMMF C41H69N9O8S2 879.4711 NA PeJP NA NA +PJ063900 SLRRYW C41H61N13O9 879.4716 NA PeJP NA NA +3797 NA WWPKHK~ 879.472 ACE inhibitor Inhouse_peptide NA peptide +PJ063901 SSTTLLKM C37H69N9O13S 879.4736 NA PeJP NA NA +PJ063902 PVLLEFY C45H65N7O11 879.4742 NA PeJP NA NA +PJ063903 VLKKMMM C38H73N9O8S3 879.4745 NA PeJP NA NA +PJ063904 AALMRRY C38H65N13O9S 879.4749 NA PeJP NA NA +MJ096781 Hymenamide A C46H61N11O7 879.475543 NA MeJP NA NA +PJ063905 PKFFRW C46H61N11O7 879.4756 NA PeJP NA NA +PJ063906 SSSSTKKR C34H65N13O14 879.4774 NA PeJP NA NA +PJ063907 VLLLEMY C42H69N7O11S 879.4776 NA PeJP NA NA +PJ063908 SCKKKMR C35H69N13O9S2 879.4783 NA PeJP NA NA +PJ063909 GVQQHRR C35H61N17O10 879.4788 NA PeJP NA NA +PJ063910 LKMFRW C43H65N11O7S 879.479 NA PeJP NA NA +PJ063911 ATLKERY C39H65N11O12 879.4814 NA PeJP NA NA +PJ063912 VVTDKRY C39H65N11O12 879.4815 NA PeJP NA NA +PJ063913 APPHFRR C40H61N15O8 879.4828 NA PeJP NA NA +PJ063914 GSTTKKKM C36H69N11O12S 879.4848 NA PeJP NA NA +PJ063915 GTLLKYW C44H65N9O10 879.4855 NA PeJP NA NA +PJ063916 VMRRRY C37H65N15O8S 879.4862 NA PeJP NA NA +PJ063917 PTLKKMY C41H69N9O10S 879.4888 NA PeJP NA NA +PJ063918 GGVLLKMY C41H69N9O10S 879.4889 NA PeJP NA NA +PJ063919 PPLLFFF C49H65N7O8 879.4895 NA PeJP NA NA +PJ063920 QQHRRR C34H61N19O9 879.49 NA PeJP NA NA +PJ063921 ATTLRRY C38H65N13O11 879.4927 NA PeJP NA NA +PJ063922 PLLLMFF C46H69N7O8S 879.4929 NA PeJP NA NA +PJ063923 KHHFRR C39H61N17O7 879.494 NA PeJP NA NA +PJ063924 LLLLMMF C43H73N7O8S2 879.4962 NA PeJP NA NA +PJ063925 QKKKYW C43H65N11O9 879.4967 NA PeJP NA NA +PJ063926 GLLKMRY C40H69N11O9S 879.5001 NA PeJP NA NA +PJ063927 SSTTTKKK C36H69N11O14 879.5026 NA PeJP NA NA +PJ063928 SKKKKMM C37H73N11O9S2 879.5035 NA PeJP NA NA +PJ063929 GLLEHRR C37H65N15O10 879.5039 NA PeJP NA NA +HMDB12450 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C50H74NO10P 879.505005 NA HMDB2010 NA NA +PJ063930 SLLKKEY C41H69N9O12 879.5066 NA PeJP NA NA +PJ063931 AVVLHRW C42H65N13O8 879.5079 NA PeJP NA NA +PJ063932 GVLLHRW C42H65N13O8 879.508 NA PeJP NA NA +PJ063933 PVLLLYY C46H69N7O10 879.5106 NA PeJP NA NA +PJ063934 ACKKKFR C39H69N13O8S 879.5113 NA PeJP NA NA +MJ096782 Boromycin C45H74BNO15 879.515151 NA MeJP NA NA +PJ063935 APPQRRR C36H65N17O9 879.5152 NA PeJP NA NA +PJ063936 STLLKRY C40H69N11O11 879.5178 NA PeJP NA NA +PJ063937 GPPVLLER C40H69N11O11 879.5179 NA PeJP NA NA +PJ063938 LLHRRW C41H65N15O7 879.5192 NA PeJP NA NA +PJ063939 AAPPLLLW C45H69N9O9 879.5219 NA PeJP NA NA +PJ063940 VVLKKMY C42H73N9O9S 879.5252 NA PeJP NA NA +PJ063941 QKHRRR C35H65N19O8 879.5264 NA PeJP NA NA +PJ063942 GTKKKRY C39H69N13O10 879.5291 NA PeJP NA NA +PJ063943 KKKKYW C44H69N11O8 879.5331 NA PeJP NA NA +PJ063944 AKKKKMF C41H73N11O8S 879.5365 NA PeJP NA NA +PJ063945 SVLLHRR C38H69N15O9 879.5403 NA PeJP NA NA +PJ063946 APPLLLKE C42H73N9O11 879.543 NA PeJP NA NA +PJ063947 VLLLLFY C47H73N7O9 879.547 NA PeJP NA NA +PJ063948 APPKRRR C37H69N17O8 879.5515 NA PeJP NA NA +PJ063949 SVKKKKY C41H73N11O10 879.5542 NA PeJP NA NA +PJ063950 VVLKKFF C46H73N9O8 879.5582 NA PeJP NA NA +PJ063951 KKHRRR C36H69N19O7 879.5628 NA PeJP NA NA +PJ063952 TLLLKHR C40H73N13O9 879.5655 NA PeJP NA NA +PJ063953 PPVKKRR C39H73N15O8 879.5767 NA PeJP NA NA +HMDB08682 PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C52H82NO8P 879.57782 NA HMDB2010 NA NA +HMDB08715 PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C52H82NO8P 879.57782 NA HMDB2010 NA NA +HMDB08746 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C52H82NO8P 879.57782 NA HMDB2010 NA NA +HMDB08747 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C52H82NO8P 879.57782 NA HMDB2010 NA NA +PJ063954 SPPLLLLK C43H77N9O10 879.5794 NA PeJP NA NA +PJ063955 GPVLLLLR C42H77N11O9 879.5906 NA PeJP NA NA +EUR1017 PC 40:6 [M+FA-H]- C48H84NO8P 879.598337 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1017 PC 40:6 [M+FA-H]- C48H84NO8P 879.598337 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1017 PC 40:6 [M+FA-H]- C48H84NO8P 879.598337 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1017 PC 40:6 [M+FA-H]- C48H84NO8P 879.598337 masses lipides attendues Inhousejuil11 NA NA +PJ063956 PLLLLRR C41H77N13O8 879.6018 NA PeJP NA NA +PJ063957 VLKKKKH C41H77N13O8 879.6019 NA PeJP NA NA +PJ063958 APLLLLLK C44H81N9O9 879.6158 NA PeJP NA NA +EUR1142 SM(d18:1/26:5) [M+FA-H]- C49H90N2O6P 879.658531 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1142 SM(d18:1/26:5) [M+FA-H]- C49H90N2O6P 879.658531 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1142 SM(d18:1/26:5) [M+FA-H]- C49H90N2O6P 879.658531 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1142 SM(d18:1/26:5) [M+FA-H]- C49H90N2O6P 879.658531 masses lipides attendues Inhousejuil11 NA NA +HMDB09606 PE(22:4(7Z,10Z,13Z,16Z)/24:0) C51H94NO8P 879.671692 NA HMDB2010 NA NA +HMDB09735 PE(24:0/22:4(7Z,10Z,13Z,16Z)) C51H94NO8P 879.671692 NA HMDB2010 NA NA +HMDB13453 PC(o-22:1(13Z)/22:3(10Z,13Z,16Z)) C52H98NO7P 879.708069 NA HMDB2010 NA NA +HMDB13455 PC(o-22:2(13Z,16Z)/22:2(13Z,16Z)) C52H98NO7P 879.708069 NA HMDB2010 NA NA +HMDB13460 PC(o-24:0/20:4(8Z,11Z,14Z,17Z)) C52H98NO7P 879.708069 NA HMDB2010 NA NA +MJ096783 3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone; 2'',3'',6''-Tris(3,4,5-trihydroxybenzoyl) C40H32O23 880.133437 NA MeJP NA NA +PJ063959 CCCCCCDE C27H44N8O13S6 880.1353 NA PeJP NA NA +PJ063960 SCCCCCEM C28H48N8O12S6 880.1716 NA PeJP NA NA +PJ063961 GCCCCDDY C31H44N8O14S4 880.186 NA PeJP NA NA +PJ063962 PCCCCCCF C32H48N8O9S6 880.1869 NA PeJP NA NA +PJ063963 GCCCCMMM C29H52N8O9S7 880.1903 NA PeJP NA NA +PJ063964 SPCCCCCY C32H48N8O11S5 880.2046 NA PeJP NA NA +PJ063965 GCCCCDMF C32H48N8O11S5 880.2047 NA PeJP NA NA +MJ096784 Rabdosiin; 7-O-?-D-Glucopyranoside C42H40O21 880.206208 NA MeJP NA NA +PJ063966 STCCCCMM C29H52N8O11S6 880.208 NA PeJP NA NA +PJ063967 GCCCDDEH C30H44N10O15S3 880.215 NA PeJP NA NA +PJ063968 GDDDDDDD C30H40N8O23 880.2207 NA PeJP NA NA +PJ063969 GSCCCDMY C32H48N8O13S4 880.2224 NA PeJP NA NA +PJ063970 CCCDDHW C34H44N10O12S3 880.2303 NA PeJP NA NA +PJ063971 SSCCDDDH C30H44N10O17S2 880.2328 NA PeJP NA NA +PJ063972 SPCCCCEH C31H48N10O12S4 880.2336 NA PeJP NA NA +PJ063973 TCCCCYW C36H48N8O10S4 880.2377 NA PeJP NA NA +PJ063974 SPCDDDDD C31H44N8O20S 880.2393 NA PeJP NA NA +PJ063975 SSSCCCEY C32H48N8O15S3 880.2402 NA PeJP NA NA +PJ063976 CCCQMMY C33H52N8O10S5 880.241 NA PeJP NA NA +PJ063977 GCCCNNMH C30H48N12O11S4 880.2449 NA PeJP NA NA +PJ063978 GCNNDDDE C30H44N10O19S 880.2505 NA PeJP NA NA +PJ063979 GGGGGCDDDE C30H44N10O19S 880.2506 NA PeJP NA NA +PJ063980 GSCCDEMH C31H48N10O14S3 880.2514 NA PeJP NA NA +PJ063981 CCCCMRY C32H52N10O9S5 880.2523 NA PeJP NA NA +PJ063982 CCCNEFY C36H48N8O12S3 880.2554 NA PeJP NA NA +PJ063983 GSDDDDEE C31H44N8O22 880.2571 NA PeJP NA NA +PJ063984 GPCDDDEM C32H48N8O17S2 880.2579 NA PeJP NA NA +PJ063985 GSSCCMMY C33H52N8O12S4 880.2588 NA PeJP NA NA +PJ063986 SSCCCNQH C30H48N12O13S3 880.2626 NA PeJP NA NA +PJ063987 GGGGGGPCCCN C30H48N12O13S3 880.2627 NA PeJP NA NA +PJ063988 CNNDDDW C34H44N10O16S 880.2658 NA PeJP NA NA +PJ063989 SCCDMHW C35H48N10O11S3 880.2667 NA PeJP NA NA +PJ063990 SSNNDDDD C30H44N10O21 880.2683 NA PeJP NA NA +PJ063991 SSSCDDMH C31H48N10O16S2 880.2692 NA PeJP NA NA +PJ063992 CNDMMMH C32H52N10O11S4 880.27 NA PeJP NA NA +PJ063993 GCCCFYW C40H48N8O9S3 880.2707 NA PeJP NA NA +PJ063994 SDDDDEW C35H44N8O19 880.2723 NA PeJP NA NA +PJ063995 PCDDDMW C36H48N8O14S2 880.2732 NA PeJP NA NA +PJ063996 CCCQMFF C37H52N8O9S4 880.274 NA PeJP NA NA +PJ063997 GACCCMFF C37H52N8O9S4 880.2741 NA PeJP NA NA +PJ063998 NDDEEEM C32H48N8O19S 880.2757 NA PeJP NA NA +PJ063999 SSSTCCMY C33H52N8O14S3 880.2765 NA PeJP NA NA +PJ064000 SPPCCDEM C33H52N8O14S3 880.2766 NA PeJP NA NA +PJ064001 CCCKMMY C34H56N8O9S5 880.2774 NA PeJP NA NA +PJ064002 GSSSSCCNH C30H48N12O15S2 880.2804 NA PeJP NA NA +PJ064003 CCCEMHR C31H52N12O10S4 880.2813 NA PeJP NA NA +PJ064004 GSPCCNDW C35H48N10O13S2 880.2844 NA PeJP NA NA +PJ064005 ACCMMHW C36H52N10O8S4 880.2853 NA PeJP NA NA +PJ064006 DDDDDMR C31H48N10O18S 880.2869 NA PeJP NA NA +PJ064007 GSSCEMMH C32H52N10O13S3 880.2878 NA PeJP NA NA +PJ064008 GSCCYYW C40H48N8O11S2 880.2884 NA PeJP NA NA +PJ064009 CCNMHHH C33H48N14O9S3 880.2891 NA PeJP NA NA +PJ064010 GDDEEMW C36H48N8O16S 880.2909 NA PeJP NA NA +PJ064011 GCNMMYY C37H52N8O11S3 880.2918 NA PeJP NA NA +PJ064012 GSSDEEEE C32H48N8O21 880.2934 NA PeJP NA NA +PJ064013 GSPDDEMM C33H52N8O16S2 880.2943 NA PeJP NA NA +PJ064014 NDDDEHH C33H44N12O17 880.2948 NA PeJP NA NA +PJ064015 GPPCDMMM C34H56N8O11S4 880.2952 NA PeJP NA NA +PJ064016 CCNNNQW C34H48N12O12S2 880.2956 NA PeJP NA NA +PJ064017 GGGGCCNQW C34H48N12O12S2 880.2957 NA PeJP NA NA +PJ064018 SSCNNNNE C30H48N12O17S 880.2981 NA PeJP NA NA +PJ064019 GSCNDDDR C30H48N12O17S 880.2982 NA PeJP NA NA +PJ064020 GPCCCNER C31H52N12O12S3 880.299 NA PeJP NA NA +PJ064021 GCCEHFW C39H48N10O10S2 880.2997 NA PeJP NA NA +FL5FABGI0022 Anhydroicaritin 3-(6'''-acetylgalactosyl)(1->3)-rhamnoside-7-glucoside C41H52O21 880.3001 128988-54-5 knapsack NA NA +MJ096785 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[6-O-acetyl-?-D-galactopyranosyl-(1?3)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C41H52O21 880.300108 NA MeJP NA NA +MJ096786 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C41H52O21 880.300108 NA MeJP NA NA +PJ064022 SNNDDMW C35H48N10O15S 880.3022 NA PeJP NA NA +PJ064023 SSCMMHW C36H52N10O10S3 880.303 NA PeJP NA NA +PJ064024 GGGAPCCMW C36H52N10O10S3 880.3031 NA PeJP NA NA +PJ064025 SSSNNDEE C31H48N10O20 880.3047 NA PeJP NA NA +PJ064026 SSSSDMMH C32H52N10O15S2 880.3055 NA PeJP NA NA +PJ064027 GGGGNEEMM C32H52N10O15S2 880.3056 NA PeJP NA NA +PJ064028 DDEMWW C40H48N8O13S 880.3062 NA PeJP NA NA +PJ064029 SNMMMMH C33H56N10O10S4 880.3064 NA PeJP NA NA +PJ064030 GSTCCHHH C33H48N14O11S2 880.3069 NA PeJP NA NA +PJ064031 SSDEEEW C36H48N8O18 880.3087 NA PeJP NA NA +PJ064032 SSCQMYY C37H52N8O13S2 880.3095 NA PeJP NA NA +PJ064033 SPDDMMW C37H52N8O13S2 880.3096 NA PeJP NA NA +PJ064034 GDDDHHW C37H44N12O14 880.31 NA PeJP NA NA +PJ064035 CCCKMFF C38H56N8O8S4 880.3104 NA PeJP NA NA +PJ064036 SQEEEEM C33H52N8O18S 880.3121 NA PeJP NA NA +PJ064037 DEEYYY C41H48N6O16 880.3127 NA PeJP NA NA +PJ064038 PNEEMMM C34H56N8O13S3 880.3129 NA PeJP NA NA +PJ064039 GSSCNNNW C34H48N12O14S 880.3134 NA PeJP NA NA +PJ064040 PCCCNRW C35H52N12O9S3 880.3143 NA PeJP NA NA +PJ064041 CCHFWW C43H48N10O7S2 880.3149 NA PeJP NA NA +PJ064042 GSSSSNNND C30H48N12O19 880.3159 NA PeJP NA NA +PJ064043 CNNDEMR C31H52N12O14S2 880.3168 NA PeJP NA NA +PJ064044 GSCNEWW C39H48N10O12S 880.3174 NA PeJP NA NA +PJ064045 TCCMMHR C32H56N12O9S4 880.3176 NA PeJP NA NA +PJ064046 GCCCCKKH C32H56N12O9S4 880.3177 NA PeJP NA NA +PJ064047 GSSSNDEW C35H48N10O17 880.3199 NA PeJP NA NA +PJ064048 GGGGGGDEEF C35H48N10O17 880.32 NA PeJP NA NA +PJ064049 GNNEMMW C36H52N10O12S2 880.3208 NA PeJP NA NA +PJ064050 SDDEEMR C32H52N10O17S 880.3233 NA PeJP NA NA +PJ064051 APDDDYW C40H48N8O15 880.3239 NA PeJP NA NA +PJ064052 GPDDEYW C40H48N8O15 880.324 NA PeJP NA NA +PJ064053 PCDEMMR C33H56N10O12S3 880.3242 NA PeJP NA NA +PJ064054 SSSSCHHH C33H48N14O13S 880.3246 NA PeJP NA NA +PJ064055 GGGGNDMHH C33H48N14O13S 880.3247 NA PeJP NA NA +MJ096787 Cruciatin C56H48O10 880.324747 NA MeJP NA NA +PJ064056 PPCCEFW C41H52N8O10S2 880.3248 NA PeJP NA NA +PJ064057 GTEEEMW C37H52N8O15S 880.3273 NA PeJP NA NA +PJ064058 CCNDDRR C30H52N14O13S2 880.328 NA PeJP NA NA +PJ064059 GPEMMMW C38H56N8O10S3 880.3282 NA PeJP NA NA +PJ064060 SPCDHHW C38H48N12O11S 880.3287 NA PeJP NA NA +PJ064061 GSTTEEEE C33H52N8O20 880.3298 NA PeJP NA NA +PJ064062 VNEEEMM C34H56N8O15S2 880.3307 NA PeJP NA NA +PJ064063 NNNNNEY C34H48N12O16 880.3311 NA PeJP NA NA +PJ064064 GGNNNNEY C34H48N12O16 880.3312 NA PeJP NA NA +PJ064065 EEMFYY C42H52N6O13S 880.3313 NA PeJP NA NA +PJ064066 GSPPMMMM C35H60N8O10S4 880.3316 NA PeJP NA NA +PJ064067 GCNDMRW C35H52N12O11S2 880.332 NA PeJP NA NA +PJ064068 GGGGGGCCKW C35H52N12O11S2 880.3321 NA PeJP NA NA +PJ064069 SCNWWW C43H48N10O9S 880.3327 NA PeJP NA NA +PJ064070 GSSNDDMR C31H52N12O16S 880.3345 NA PeJP NA NA +PJ064071 GGGGGGGGSSTM C31H52N12O16S 880.3346 NA PeJP NA NA +PJ064072 SSSNDWW C39H48N10O14 880.3352 NA PeJP NA NA +PJ064073 GSPCCQMR C32H56N12O11S3 880.3354 NA PeJP NA NA +PJ064074 NNMMWW C40H52N10O9S2 880.336 NA PeJP NA NA +PJ064075 GGNMMWW C40H52N10O9S2 880.3361 NA PeJP NA NA +PJ064076 SSNQEMW C36H52N10O14S 880.3385 NA PeJP NA NA +PJ064077 GGSSQEMW C36H52N10O14S 880.3386 NA PeJP NA NA +PJ064078 PDDYWW C44H48N8O12 880.3392 NA PeJP NA NA +PJ064079 PCCNKMW C37H56N10O9S3 880.3394 NA PeJP NA NA +PJ064080 GCNQHHW C37H48N14O10S 880.3399 NA PeJP NA NA +PJ064081 SSSSQQEE C32H52N10O19 880.341 NA PeJP NA NA +PJ064082 GGSSSTQEE C32H52N10O19 880.3411 NA PeJP NA NA +PJ064083 GEEEMMR C33H56N10O14S2 880.3419 NA PeJP NA NA +PJ064084 SDDDHHR C33H48N14O15 880.3424 NA PeJP NA NA +PJ064085 TEEMWW C41H52N8O12S 880.3426 NA PeJP NA NA +PJ064086 TCKMMMH C34H60N10O9S4 880.3428 NA PeJP NA NA +PJ064087 PCCEHHR C34H52N14O10S2 880.3433 NA PeJP NA NA +PJ064088 PMMMWW C42H56N8O7S3 880.3434 NA PeJP NA NA +PJ064089 STTEEEW C37H52N8O17 880.3451 NA PeJP NA NA +PJ064090 SSSCNNNR C30H52N14O15S 880.3458 NA PeJP NA NA +PJ064091 GVEEMMW C38H56N8O12S2 880.3459 NA PeJP NA NA +PJ064092 GGPPEMMY C38H56N8O12S2 880.346 NA PeJP NA NA +PJ064093 GNNNNYW C38H48N12O13 880.3464 NA PeJP NA NA +PJ064094 GSPCCCRR C31H56N14O10S3 880.3466 NA PeJP NA NA +PJ064095 CCQRWW C39H52N12O8S2 880.3473 NA PeJP NA NA +PJ064096 SSPTTEEM C34H56N8O17S 880.3484 NA PeJP NA NA +PJ064097 SKEEEEM C34H56N8O17S 880.3485 NA PeJP NA NA +PJ064098 PDKEMMM C35H60N8O12S3 880.3493 NA PeJP NA NA +PJ064099 SSCNERW C35H52N12O13S 880.3498 NA PeJP NA NA +PJ064100 NNDFWW C43H48N10O11 880.3504 NA PeJP NA NA +PJ064101 GGGGDFWW C43H48N10O11 880.3505 NA PeJP NA NA +PJ064102 GCMMHFR C36H56N12O8S3 880.3507 NA PeJP NA NA +PJ064103 PCNHHHH C36H48N16O9S 880.3511 NA PeJP NA NA +PJ064104 SSSSNDER C31H52N12O18 880.3523 NA PeJP NA NA +PJ064105 SNNEMMR C32H56N12O13S2 880.3532 NA PeJP NA NA +PJ064106 GSSQMWW C40H52N10O11S 880.3538 NA PeJP NA NA +PJ064107 GSSSTQEW C36H52N10O16 880.3563 NA PeJP NA NA +PJ064108 EEMMRW C37H56N10O11S2 880.3572 NA PeJP NA NA +PJ064109 SSNNHHW C37H48N14O12 880.3576 NA PeJP NA NA +PJ064110 GGSSNHHW C37H48N14O12 880.3577 NA PeJP NA NA +PJ064111 PDMFWW C45H52N8O9S 880.3578 NA PeJP NA NA +PJ064112 STEEEMR C33H56N10O16S 880.3597 NA PeJP NA NA +PJ064113 GPTEEYW C41H52N8O14 880.3603 NA PeJP NA NA +PJ064114 SPEMMMR C34H60N10O11S3 880.3605 NA PeJP NA NA +PJ064115 PTDMMMR C34H60N10O11S3 880.3606 NA PeJP NA NA +PJ064116 CNNNNFR C34H52N14O12S 880.361 NA PeJP NA NA +PJ064117 GGGGGGGGCFR C34H52N14O12S 880.3611 NA PeJP NA NA +PJ064118 VEMMWW C42H56N8O9S2 880.3612 NA PeJP NA NA +PJ064119 SEHHWW C42H48N12O10 880.3617 NA PeJP NA NA +MJ096788 Virotoxin; Viroidin, S-Deoxy C38H56N8O14S 880.363669 NA MeJP NA NA +PJ064120 SSLEEMW C38H56N8O14S 880.3637 NA PeJP NA NA +PJ064121 PEFYYY C46H52N6O12 880.3643 NA PeJP NA NA +PJ064122 EEFFFY C46H52N6O12 880.3644 NA PeJP NA NA +PJ064123 SPVMMMW C39H60N8O9S3 880.3646 NA PeJP NA NA +PJ064124 GSSCRWW C39H52N12O10S 880.365 NA PeJP NA NA +PJ064125 GVDMHHW C39H52N12O10S 880.3651 NA PeJP NA NA +PJ064126 SSSTLEEE C34H56N8O19 880.3662 NA PeJP NA NA +PJ064127 VDKEEMM C35H60N8O14S2 880.3671 NA PeJP NA NA +PJ064128 GSSSSDRW C35H52N12O15 880.3675 NA PeJP NA NA +PJ064129 GGGNEERY C35H52N12O15 880.3676 NA PeJP NA NA +PJ064130 LEMYYY C43H56N6O12S 880.3677 NA PeJP NA NA +PJ064131 PLQMMMM C36H64N8O9S4 880.3679 NA PeJP NA NA +PJ064132 GAPLMMMM C36H64N8O9S4 880.368 NA PeJP NA NA +PJ064133 GSNMMRW C36H56N12O10S2 880.3684 NA PeJP NA NA +PJ064134 GQEHHHH C36H48N16O11 880.3689 NA PeJP NA NA +PJ064135 NMHFFW C44H52N10O8S 880.3691 NA PeJP NA NA +PJ064136 GSSSQEMR C32H56N12O15S 880.3709 NA PeJP NA NA +PJ064137 SSSTQWW C40H52N10O13 880.3715 NA PeJP NA NA +PJ064138 GGSSTTWW C40H52N10O13 880.3716 NA PeJP NA NA +PJ064139 GQQMMMR C33H60N12O10S3 880.3718 NA PeJP NA NA +PJ064140 SCNQHHR C33H52N16O11S 880.3722 NA PeJP NA NA +PJ064141 GGSCQHHR C33H52N16O11S 880.3723 NA PeJP NA NA +PJ064142 CQKMWW C41H56N10O8S2 880.3724 NA PeJP NA NA +MJ096789 Trillenogenin; 24-Epimer, 1-O-[2'',3'',4''-tri-O-acetyl-?-L-rhamnopyranosyl(1?2)-?-L-arabinopyranosyl] C43H60O19 880.372879 NA MeJP NA NA +MJ096790 Trillenogenin; 24-Epimer, 1-O-[2'',4''-di-O-acetyl-?-L-rhamnopyranosyl(1?2)-?-L-arabinopyranosyl], 24-O-Ac C43H60O19 880.372879 NA MeJP NA NA +PJ064143 SSNKEMW C37H56N10O13S 880.3749 NA PeJP NA NA +PJ064144 GGGGPDKMY C37H56N10O13S 880.375 NA PeJP NA NA +PJ064145 PTEYWW C45H52N8O11 880.3756 NA PeJP NA NA +PJ064146 PPCMMFR C38H60N10O8S3 880.3758 NA PeJP NA NA +PJ064147 DMHHRW C38H52N14O9S 880.3763 NA PeJP NA NA +PJ064148 SSSSQKEE C33H56N10O18 880.3774 NA PeJP NA NA +PJ064149 SVEEMMR C34H60N10O13S2 880.3783 NA PeJP NA NA +PJ064150 SNNNNRY C34H52N14O14 880.3788 NA PeJP NA NA +PJ064151 NKMYYY C42H56N8O11S 880.3789 NA PeJP NA NA +PJ064152 GPVEMYW C42H56N8O11S 880.379 NA PeJP NA NA +PJ064153 PCLMMMR C35H64N10O8S4 880.3792 NA PeJP NA NA +PJ064154 GTCCRRW C35H56N14O9S2 880.3797 NA PeJP NA NA +PJ064155 CLHHWW C43H52N12O7S 880.3803 NA PeJP NA NA +PJ064156 SPKEEEY C38H56N8O16 880.3815 NA PeJP NA NA +PJ064157 GSSSCERR C31H56N14O14S 880.3822 NA PeJP NA NA +PJ064158 ATLEMMW C39H60N8O11S2 880.3823 NA PeJP NA NA +PJ064159 NNERYW C39H52N12O12 880.3828 NA PeJP NA NA +PJ064160 GCQMMRR C32H60N14O9S3 880.383 NA PeJP NA NA +PJ064161 CCKRWW C40H56N12O7S2 880.3837 NA PeJP NA NA +PJ064162 QHHHHW C40H48N16O8 880.3841 NA PeJP NA NA +PJ064163 GAHHHHW C40H48N16O8 880.3842 NA PeJP NA NA +PJ064164 GTTTLEEM C35H60N8O16S 880.3848 NA PeJP NA NA +PJ064165 VLQEMMM C36H64N8O11S3 880.3857 NA PeJP NA NA +PJ064166 SSSQMRW C36H56N12O12S 880.3862 NA PeJP NA NA +PJ064167 AQQYWW C44H52N10O10 880.3868 NA PeJP NA NA +PJ064168 SSSSTQER C32H56N12O17 880.3887 NA PeJP NA NA +PJ064169 SNDKMMR C33H60N12O12S2 880.3895 NA PeJP NA NA +PJ064170 GGSDKMMR C33H60N12O12S2 880.3896 NA PeJP NA NA +PJ064171 GSSSNHHR C33H52N16O13 880.39 NA PeJP NA NA +PJ064172 GSSKMWW C41H56N10O10S 880.3902 NA PeJP NA NA +PJ064173 GSSSTKEW C37H56N10O15 880.3927 NA PeJP NA NA +PJ064174 GTQKMMW C38H60N10O10S2 880.3936 NA PeJP NA NA +PJ064175 GPNDHRW C38H52N14O11 880.394 NA PeJP NA NA +PJ064176 GGGPDHRW C38H52N14O11 880.3941 NA PeJP NA NA +PJ064177 PVMYWW C46H56N8O8S 880.3942 NA PeJP NA NA +PJ064178 GCCMRRR C31H60N16O8S3 880.3943 NA PeJP NA NA +PJ064179 GSSDKKEM C34H60N10O15S 880.3961 NA PeJP NA NA +PJ064180 AALEEYW C42H56N8O13 880.3967 NA PeJP NA NA +PJ064181 ALEMMMR C35H64N10O10S3 880.3969 NA PeJP NA NA +PJ064182 GGGGLKMMM C35H64N10O10S3 880.397 NA PeJP NA NA +PJ064183 SSSCRRW C35H56N14O11S 880.3974 NA PeJP NA NA +PJ064184 GPLMMFW C43H60N8O8S2 880.3976 NA PeJP NA NA +PJ064185 GNRYWW C43H52N12O9 880.3981 NA PeJP NA NA +PJ064186 SSSSSDRR C31H56N14O16 880.3999 NA PeJP NA NA +PJ064187 TTTLEMW C39H60N8O13S 880.4001 NA PeJP NA NA +PJ064188 PLYYYY C47H56N6O11 880.4007 NA PeJP NA NA +PJ064189 SSNMMRR C32H60N14O11S2 880.4008 NA PeJP NA NA +PJ064190 GLLMMMW C40H64N8O8S3 880.401 NA PeJP NA NA +PJ064191 NQMFRW C40H56N12O9S 880.4014 NA PeJP NA NA +PJ064192 HHFFFF C48H52N10O7 880.4021 NA PeJP NA NA +PJ064193 STTTTLEE C35H60N8O18 880.4026 NA PeJP NA NA +PJ064194 TLKEEMM C36H64N8O13S2 880.4035 NA PeJP NA NA +PJ064195 GSSSTTRW C36H56N12O14 880.4039 NA PeJP NA NA +PJ064196 GGGGGGGATKY C36H56N12O14 880.404 NA PeJP NA NA +PJ064197 PLKMMMM C37H68N8O8S4 880.4043 NA PeJP NA NA +PJ064198 GTCKMRW C37H60N12O9S2 880.4048 NA PeJP NA NA +PJ064199 GNNHHFR C37H52N16O10 880.4053 NA PeJP NA NA +PJ064200 GSSSKEMR C33H60N12O14S 880.4073 NA PeJP NA NA +PJ064201 SSSTKWW C41H56N10O12 880.4079 NA PeJP NA NA +PJ064202 VEERYW C41H56N10O12 880.408 NA PeJP NA NA +PJ064203 GQKMMMR C34H64N12O9S3 880.4082 NA PeJP NA NA +PJ064204 SCNKHHR C34H56N16O10S 880.4086 NA PeJP NA NA +PJ064205 GGSCKHHR C34H56N16O10S 880.4087 NA PeJP NA NA +PJ064206 CKKMWW C42H60N10O7S2 880.4088 NA PeJP NA NA +PJ064207 APPHHHW C42H52N14O8 880.4093 NA PeJP NA NA +C06399 Hydrogenobyrinate C45H60N4O14 880.4106 NA KEGG NA NA +C06400 1-alpha-D-{(1,4)-alpha-D-Glucosyl}(n-1)-alpha-D-glucopyranoside C12H22O11 880.4106 NA KEGG NA NA +C06403 [Ribulose-1,5-bisphosphate-carboxylase]-lysine C7H13N3O2R2 880.4106 NA KEGG NA NA +C06404 [Ribulose-1,5-bisphosphate-carboxylase]-N6-methyl-L-lysine C8H15N3O2R2 880.4106 NA KEGG NA NA +C06408 Precorrin 8X C45H60N4O14 880.4106 NA KEGG NA NA +C06409 [Methionine synthase]-cob(II)alamin C62H89CoN13O14P 880.4106 NA KEGG NA NA +C06410 [Methionine synthase]-methylcob(I)alamin C63H92CoN13O14P 880.4106 NA KEGG NA NA +C06411 Flavoprotein C63H92CoN13O14P 880.4106 NA KEGG NA NA +C06412 Palmitoyl-protein C63H92CoN13O14P 880.4106 NA KEGG NA NA +MJ096791 Hydrogenobyrinate C45H60N4O14 880.410602 NA MeJP NA NA +MJ096792 Precorrin 8X C45H60N4O14 880.410602 NA MeJP NA NA +MetaCyc04234 hydrogenobyrinate [hydrogenobyrinic acid;] C45H60N4O14 880.410603 NA metacyc NA NA +MetaCyc04235 precorrin-8x [] C45H60N4O14 880.410603 NA metacyc NA NA +PJ064208 SSDKKMW C38H60N10O12S 880.4113 NA PeJP NA NA +PJ064209 VVEYWW C46H56N8O10 880.412 NA PeJP NA NA +PJ064210 CNFRRW C39H56N14O8S 880.4127 NA PeJP NA NA +PJ064211 SSSSKKEE C34H60N10O17 880.4138 NA PeJP NA NA +PJ064212 TTLEMMR C35H64N10O12S2 880.4147 NA PeJP NA NA +PJ064213 GSNERRY C35H56N14O13 880.4152 NA PeJP NA NA +PJ064214 APTLMYW C43H60N8O10S 880.4153 NA PeJP NA NA +PJ064215 GVLEMFW C43H60N8O10S 880.4154 NA PeJP NA NA +PJ064216 GLMMHHR C36H60N14O8S2 880.416 NA PeJP NA NA +PJ064217 GTHHHHR C36H52N18O9 880.4165 NA PeJP NA NA +PJ064218 ALKEEEY C39H60N8O15 880.4178 NA PeJP NA NA +PJ064219 VVDKEEY C39H60N8O15 880.4179 NA PeJP NA NA +PJ064220 GSSSTMRR C32H60N14O13S 880.4185 NA PeJP NA NA +PJ064221 STLLMMW C40H64N8O10S2 880.4187 NA PeJP NA NA +PJ064222 NDKRYW C40H56N12O11 880.4192 NA PeJP NA NA +PJ064223 GCKMMRR C33H64N14O8S3 880.4194 NA PeJP NA NA +PJ064224 KHHHHW C41H52N16O7 880.4205 NA PeJP NA NA +PJ064225 SSTTLLEM C36H64N8O15S 880.4212 NA PeJP NA NA +PJ064226 VLKEMMM C37H68N8O10S3 880.4221 NA PeJP NA NA +PJ064227 SSSKMRW C37H60N12O11S 880.4225 NA PeJP NA NA +PJ064228 GVQQMRY C37H60N12O11S 880.4226 NA PeJP NA NA +PJ064229 AQKYWW C45H56N10O9 880.4232 NA PeJP NA NA +PJ064230 SSSSTKER C33H60N12O16 880.425 NA PeJP NA NA +PJ064231 SSSTTDKR C33H60N12O16 880.4251 NA PeJP NA NA +PJ064232 STQKMMR C34H64N12O11S2 880.4259 NA PeJP NA NA +PJ064233 SPNDHRR C34H56N16O12 880.4264 NA PeJP NA NA +PJ064234 GPCKKYW C42H60N10O9S 880.4266 NA PeJP NA NA +PJ064235 PVFFWW C50H56N8O7 880.4272 NA PeJP NA NA +PJ064236 SSSSSLKW C38H60N10O14 880.4291 NA PeJP NA NA +PJ064237 ASKKMMW C39H64N10O9S2 880.4299 NA PeJP NA NA +PJ064238 GTKKMMW C39H64N10O9S2 880.43 NA PeJP NA NA +PJ064239 SNRRYW C39H56N14O10 880.4304 NA PeJP NA NA +PJ064240 VLMFWW C47H60N8O7S 880.4306 NA PeJP NA NA +PJ064241 ASSTKKEM C35H64N10O14S 880.4324 NA PeJP NA NA +PJ064242 GSTTKKEM C35H64N10O14S 880.4325 NA PeJP NA NA +PJ064243 GTLLEYW C43H60N8O12 880.4331 NA PeJP NA NA +PJ064244 SLLMMMR C36H68N10O9S3 880.4333 NA PeJP NA NA +PJ064245 QQMRRY C36H60N14O10S 880.4338 NA PeJP NA NA +PJ064246 PQKHWW C44H56N12O8 880.4344 NA PeJP NA NA +PJ064247 GAPKHWW C44H56N12O8 880.4345 NA PeJP NA NA +PJ064248 SSSSTTRR C32H60N14O15 880.4363 NA PeJP NA NA +PJ064249 PTLKEMY C40H64N8O12S 880.4365 NA PeJP NA NA +PJ064250 LLFYYY C48H60N6O10 880.4371 NA PeJP NA NA +PJ064251 STCKMRR C33H64N14O10S2 880.4372 NA PeJP NA NA +PJ064252 GNNQHRR C33H56N18O11 880.4376 NA PeJP NA NA +PJ064253 GGGGGQHRR C33H56N18O11 880.4377 NA PeJP NA NA +PJ064254 NKMFRW C41H60N12O8S 880.4378 NA PeJP NA NA +C00528 Glycopeptide C36H64N8O17 880.4389 NA KEGG NA NA +PJ064255 SSSLLLMM C37H68N8O12S2 880.4398 NA PeJP NA NA +PJ064256 GTQKERY C37H60N12O13 880.4403 NA PeJP NA NA +PJ064257 GGGGGGGGPPVL C37H60N12O13 880.4404 NA PeJP NA NA +PJ064258 PCCKKFR C38H64N12O8S2 880.4412 NA PeJP NA NA +PJ064259 EHHFRR C38H56N16O9 880.4417 NA PeJP NA NA +PJ064260 GSTTTKMR C34H64N12O13S 880.4437 NA PeJP NA NA +PJ064261 QKKEYW C42H60N10O11 880.4443 NA PeJP NA NA +PJ064262 GAPPPKEW C42H60N10O11 880.4444 NA PeJP NA NA +PJ064263 GKKMMMR C35H68N12O8S3 880.4446 NA PeJP NA NA +PJ064264 CQRRRY C35H60N16O9S 880.445 NA PeJP NA NA +MJ096793 Bryostatin 8 C45H68O17 880.44565 NA MeJP NA NA +PJ064265 VHHFRW C43H56N14O7 880.4457 NA PeJP NA NA +MJ096794 Ulapualide; Ulapualide A C46H64N4O13 880.446988 NA MeJP NA NA +PJ064266 STTKKMW C39H64N10O11S 880.4477 NA PeJP NA NA +MJ096795 Ferintoic acid B C47H60N8O9 880.448325 NA MeJP NA NA +PJ064267 TLLYWW C47H60N8O9 880.4484 NA PeJP NA NA +PJ064268 SSTTTKKE C35H64N10O16 880.4502 NA PeJP NA NA +PJ064269 SKKKEMM C36H68N10O11S2 880.4511 NA PeJP NA NA +PJ064270 GTTQRRY C36H60N14O12 880.4515 NA PeJP NA NA +PJ064271 GSDKRRY C36H60N14O12 880.4516 NA PeJP NA NA +PJ064272 GVLLMYW C44H64N8O9S 880.4517 NA PeJP NA NA +PJ064273 SLLKEEY C40H64N8O14 880.4542 NA PeJP NA NA +PJ064274 PVLKMMY C41H68N8O9S2 880.4551 NA PeJP NA NA +PJ064275 TQKRYW C41H60N12O10 880.4556 NA PeJP NA NA +PJ064276 GPCHRRR C34H60N18O8S 880.4563 NA PeJP NA NA +PJ064277 TTTTTLLM C37H68N8O14S 880.4576 NA PeJP NA NA +PJ064278 GVQKMRY C38H64N12O10S 880.4589 NA PeJP NA NA +PJ064279 GGGLKMRY C38H64N12O10S 880.459 NA PeJP NA NA +PJ064280 AKKYWW C46H60N10O8 880.4596 NA PeJP NA NA +PJ064281 SSTTTTKR C34H64N12O15 880.4614 NA PeJP NA NA +PJ064282 STKKMMR C35H68N12O10S2 880.4623 NA PeJP NA NA +PJ064283 GSSRRRY C35H60N16O11 880.4628 NA PeJP NA NA +PJ064284 LLMRYW C43H64N10O8S 880.463 NA PeJP NA NA +PJ064285 STLLERY C39H64N10O13 880.4655 NA PeJP NA NA +PJ064286 ALLMMFR C40H68N10O8S2 880.4663 NA PeJP NA NA +PJ064287 GPTKHRW C40H60N14O9 880.4668 NA PeJP NA NA +PJ064288 SSSTLKKM C36H68N10O13S 880.4688 NA PeJP NA NA +PJ064289 SSLLLYW C44H64N8O11 880.4695 NA PeJP NA NA +PJ064290 CLKKKMM C37H72N10O8S3 880.4697 NA PeJP NA NA +PJ064291 QKMRRY C37H64N14O9S 880.4702 NA PeJP NA NA +PJ064292 PKKHWW C45H60N12O7 880.4708 NA PeJP NA NA +PJ064293 VVLKEMY C41H68N8O11S 880.4729 NA PeJP NA NA +PJ064294 QEHRRR C34H60N18O10 880.474 NA PeJP NA NA +PJ064295 GTKKERY C38H64N12O12 880.4767 NA PeJP NA NA +PJ064296 VQHRRW C39H60N16O8 880.478 NA PeJP NA NA +PJ064297 GGLHRRW C39H60N16O8 880.4781 NA PeJP NA NA +PJ064298 KKKEYW C43H64N10O10 880.4807 NA PeJP NA NA +PJ064299 CKRRRY C36H64N16O8S 880.4814 NA PeJP NA NA +MJ096796 2,3,30-Trihydroxy-12-oleanen-28-oic acid, 2,3-Di-Ac, 28-O-[?-D-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C46H72O16 880.482036 NA MeJP NA NA +PJ064300 SVLLMRY C40H68N10O10S 880.4841 NA PeJP NA NA +PJ064301 GVLLFFW C48H64N8O8 880.4848 NA PeJP NA NA +PJ064302 TTTTTTKK C36H68N10O15 880.4866 NA PeJP NA NA +PJ064303 GTTKRRY C37H64N14O11 880.4879 NA PeJP NA NA +PJ064304 GGPPLERR C37H64N14O11 880.488 NA PeJP NA NA +PJ064305 PVLKMFF C45H68N8O8S 880.4881 NA PeJP NA NA +PJ064306 AHRRRW C38H60N18O7 880.4893 NA PeJP NA NA +PJ064307 GTTTLLLY C41H68N8O13 880.4906 NA PeJP NA NA +PJ064308 VLLKMMF C42H72N8O8S2 880.4915 NA PeJP NA NA +PJ064309 TKKRYW C42H64N12O9 880.492 NA PeJP NA NA +PJ064310 GVKKMRY C39H68N12O9S 880.4953 NA PeJP NA NA +PJ064311 LLFFRW C47H64N10O7 880.496 NA PeJP NA NA +PJ064312 APPERRR C36H64N16O10 880.4992 NA PeJP NA NA +PJ064313 SVKKKEY C40H68N10O12 880.5018 NA PeJP NA NA +PJ064314 GATTLKKY C40H68N10O12 880.5019 NA PeJP NA NA +PJ064315 GPPLRRW C41H64N14O8 880.5032 NA PeJP NA NA +PJ064316 PVVLKYY C45H68N8O10 880.5059 NA PeJP NA NA +PJ064317 KKMRRY C38H68N14O8S 880.5066 NA PeJP NA NA +PJ064318 TLLLKMY C42H72N8O10S 880.5092 NA PeJP NA NA +PJ064319 PPPTLLLM C42H72N8O10S 880.5093 NA PeJP NA NA +PJ064320 KEHRRR C35H64N18O9 880.5104 NA PeJP NA NA +PJ064321 SSLKKRY C39H68N12O11 880.5131 NA PeJP NA NA +PJ064322 VKHRRW C40H64N16O7 880.5144 NA PeJP NA NA +PJ064323 SLLLLHW C44H68N10O9 880.5171 NA PeJP NA NA +MJ096797 3-Hydroxy-12-ursen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside], 28-O-?-D-xylofuranosyl ester C47H76O15 880.518421 NA MeJP NA NA +PJ064324 ALKKKMY C41H72N10O9S 880.5205 NA PeJP NA NA +PJ064325 THRRRR C34H64N20O8 880.5216 NA PeJP NA NA +PJ064326 PPVKERR C38H68N14O10 880.5243 NA PeJP NA NA +PJ064327 SPPLLLLE C42H72N8O12 880.527 NA PeJP NA NA +PJ064328 AVLKKHW C43H68N12O8 880.5283 NA PeJP NA NA +PJ064329 PPVVKRW C43H68N12O8 880.5284 NA PeJP NA NA +PJ064330 VLLLMHR C40H72N12O8S 880.5317 NA PeJP NA NA +PJ064331 SPPLRRR C37H68N16O9 880.5356 NA PeJP NA NA +MJ096798 4,4-Dimethyl-24,28-epoxyergosta-8,14-diene-2,3,11,12,25-pentol, 2-O-(16-Hydroxyhexadecanoyl), 12-Ac, 3-O-sulfate C48H80O12S 880.537048 NA MeJP NA NA +PJ064332 TTLKKKY C41H72N10O11 880.5382 NA PeJP NA NA +PJ064333 GPPLLKKE C41H72N10O11 880.5383 NA PeJP NA NA +PJ064334 KKFFRR C42H68N14O7 880.5396 NA PeJP NA NA +PJ064335 VVLLKFY C46H72N8O9 880.5423 NA PeJP NA NA +PJ064336 PPVVLLLM C43H76N8O9S 880.5456 NA PeJP NA NA +PJ064337 GPPTLLKR C40H72N12O10 880.5495 NA PeJP NA NA +PJ064338 PPLLKKW C45H72N10O8 880.5535 NA PeJP NA NA +MJ096799 Ritterazine A; 7',17'-Dideoxy C54H76N2O8 880.560167 NA MeJP NA NA +MJ096800 Ritterazine N C54H76N2O8 880.560167 NA MeJP NA NA +MJ096801 Ritterazine W C54H76N2O8 880.560167 NA MeJP NA NA +PJ064339 PVLLQRR C39H72N14O9 880.5607 NA PeJP NA NA +PJ064340 APLLLLLE C43H76N8O11 880.5634 NA PeJP NA NA +MJ096802 Huratoxin; 12?-Acetoxy, 20-hexadecanoyl C52H80O11 880.570063 NA MeJP NA NA +PJ064341 APLLRRR C38H72N16O8 880.5719 NA PeJP NA NA +PJ064342 PVVVRRR C38H72N16O8 880.572 NA PeJP NA NA +PJ064343 SPPVLLKK C42H76N10O10 880.5746 NA PeJP NA NA +PJ064344 AAPLLLKR C41H76N12O9 880.5859 NA PeJP NA NA +PJ064345 PVLLKRR C40H76N14O8 880.5971 NA PeJP NA NA +PJ064346 SPLLLLLL C44H80N8O10 880.5998 NA PeJP NA NA +PJ064347 GPLLLLKK C43H80N10O9 880.611 NA PeJP NA NA +PJ064348 ALLLLLLL C45H84N8O9 880.6362 NA PeJP NA NA +HMDB05385 TG(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H100O6 880.75201 http://www.hmdb.ca/metabolites/HMDB05385 HMDB NA NA +HMDB05426 TG(16:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] C57H100O6 880.75201 http://www.hmdb.ca/metabolites/HMDB05426 HMDB NA NA +HMDB05461 TG(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C57H100O6 880.75201 http://www.hmdb.ca/metabolites/HMDB05461 HMDB NA NA +HMDB05385 TG(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H100O6 880.75201 HMDB05385 PFEM_hmdb_metabocards_official NA NA +HMDB05426 TG(16:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] C57H100O6 880.75201 HMDB05426 PFEM_hmdb_metabocards_official NA NA +HMDB05461 TG(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C57H100O6 880.75201 HMDB05461 PFEM_hmdb_metabocards_official NA NA +HMDB05385 TG(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C57H100O6 880.752014 NA HMDB2010 NA NA +HMDB05426 TG(16:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] C57H100O6 880.752014 NA HMDB2010 NA NA +HMDB05461 TG(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C57H100O6 880.752014 NA HMDB2010 NA NA +HMDB10441 TG(18:1(11Z)/16:0/20:4(5Z,8Z,11Z,14Z))[iso6] C57H100O6 880.752014 NA HMDB2010 NA NA +HMDB10459 TG(18:1(9Z)/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6] C57H100O6 880.752014 NA HMDB2010 NA NA +HMDB10460 TG(18:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso3] C57H100O6 880.752014 NA HMDB2010 NA NA +HMDB10477 TG(18:2(9Z,12Z)/18:0/18:3(9Z,12Z,15Z))[iso6] C57H100O6 880.752014 NA HMDB2010 NA NA +HMDB10479 TG(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z))[iso3] C57H100O6 880.752014 NA HMDB2010 NA NA +MJ096803 Iogulamide C20H26I3N3O12 880.865053 NA MeJP NA NA +C00527 Glutaryl-CoA C26H42N7O19P3S 881.1469 NA KEGG NA NA +C18026 Ethylmalonyl-CoA C26H42N7O19P3S 881.1469 NA KEGG NA NA +MJ096804 Glutaryl-CoA C26H42N7O19P3S 881.146902 NA MeJP NA NA +MetaCyc04236 glutaryl-CoA [glutaryl-coenzyme A;] C26H42N7O19P3S1 881.146902 NA metacyc NA NA +HMDB01339 Glutaryl-CoA C26H42N7O19P3S 881.14691 http://www.hmdb.ca/metabolites/HMDB01339 HMDB NA NA +HMDB01339 Glutaryl-CoA C26H42N7O19P3S 881.14691 HMDB01339 PFEM_hmdb_metabocards_official NA NA +HMDB01339 Glutaryl-CoA C26H42N7O19P3S 881.146912 NA HMDB2010 NA NA +PJ064349 CCCCCCNM C27H47N9O10S7 881.1491 NA PeJP NA NA +PJ064350 GSTCCCCCC C27H47N9O12S6 881.1669 NA PeJP NA NA +MetaCyc04237 3-hydroxyhexanoyl-CoA [(S)-3-Hydroxyhexanoyl-CoA;OH-hexanoyl-CoA;3-OH-hexanoyl-CoA;] C27H46N7O18P3S1 881.183288 5060-32-2 metacyc NA NA +HMDB03942 (S)-Hydroxyhexanoyl-CoA C27H46N7O18P3S 881.183289 NA HMDB2010 NA NA +HMDB03942 (S)-Hydroxyhexanoyl-CoA C27H46N7O18P3S 881.18329 http://www.hmdb.ca/metabolites/HMDB03942 HMDB NA NA +HMDB03942 (S)-Hydroxyhexanoyl-CoA C27H46N7O18P3S 881.18329 HMDB03942 PFEM_hmdb_metabocards_official NA NA +C05268 (S)-Hydroxyhexanoyl-CoA C27H46N7O18P3S 881.1833 NA KEGG NA NA +PJ064351 SSSSCCCCC C27H47N9O14S5 881.1846 NA PeJP NA NA +PJ064352 GCCCCCQY C31H47N9O11S5 881.1999 NA PeJP NA NA +PJ064353 PCCCCCNH C30H47N11O10S5 881.2111 NA PeJP NA NA +PJ064354 SSCCCCNY C31H47N9O13S4 881.2176 NA PeJP NA NA +PJ064355 GGSSCCCCY C31H47N9O13S4 881.2177 NA PeJP NA NA +PJ064356 CCCEMMY C33H51N7O11S5 881.225 NA PeJP NA NA +PJ064357 GCCCNDMH C30H47N11O12S4 881.2289 NA PeJP NA NA +PJ064358 GCNDDDDE C30H43N9O20S 881.2345 NA PeJP NA NA +PJ064359 GGGCDDDDE C30H43N9O20S 881.2346 NA PeJP NA NA +PJ064360 GCCCCCKY C32H51N9O10S5 881.2363 NA PeJP NA NA +PJ064361 CCCDEFY C36H47N7O13S3 881.2394 NA PeJP NA NA +PJ064362 CCCCQHW C34H47N11O9S4 881.2441 NA PeJP NA NA +PJ064363 GACCCCHW C34H47N11O9S4 881.2442 NA PeJP NA NA +PJ064364 SSCCCNEH C30H47N11O14S3 881.2466 NA PeJP NA NA +PJ064365 GGSSCCCEH C30H47N11O14S3 881.2467 NA PeJP NA NA +PJ064366 CNDDDDW C34H43N9O17S 881.2498 NA PeJP NA NA +PJ064367 CCCNNYY C35H47N9O12S3 881.2507 NA PeJP NA NA +PJ064368 SSNDDDDD C30H43N9O22 881.2523 NA PeJP NA NA +PJ064369 SPCCNDDE C31H47N9O17S2 881.2532 NA PeJP NA NA +PJ064370 CDDMMMH C32H51N9O12S4 881.254 NA PeJP NA NA +PJ064371 GGPPCCCDM C32H51N9O12S4 881.2541 NA PeJP NA NA +PJ064372 SCCDEYY C36H47N7O15S2 881.2572 NA PeJP NA NA +PJ064373 PCCCMYY C37H51N7O10S4 881.2581 NA PeJP NA NA +PJ064374 DDDEEEM C32H47N7O20S 881.2597 NA PeJP NA NA +PJ064375 TCCMMMY C34H55N7O10S5 881.2614 NA PeJP NA NA +PJ064376 GSSCCCHW C34H47N11O11S3 881.2619 NA PeJP NA NA +PJ064377 GSSSSCCDH C30H47N11O16S2 881.2644 NA PeJP NA NA +PJ064378 GSCCNMMH C31H51N11O11S4 881.2653 NA PeJP NA NA +PJ064379 GSPCCDDW C35H47N9O14S2 881.2684 NA PeJP NA NA +PJ064380 APPCCCCW C36H51N9O9S4 881.2693 NA PeJP NA NA +PJ064381 GSNDDDEM C31H47N9O19S 881.2709 NA PeJP NA NA +PJ064382 GPCNDDMM C32H51N9O14S3 881.2718 NA PeJP NA NA +PJ064383 CCDMHHH C33H47N13O10S3 881.2731 NA PeJP NA NA +PJ064384 SCCNNNNN C29H47N13O15S2 881.2756 NA PeJP NA NA +PJ064385 GGGGGGSCCNN C29H47N13O15S2 881.2757 NA PeJP NA NA +PJ064386 GCDMMYY C37H51N7O12S3 881.2758 NA PeJP NA NA +PJ064387 GTCCCCHR C30H51N13O10S4 881.2765 NA PeJP NA NA +PJ064388 DDDDEHH C33H43N11O18 881.2788 NA PeJP NA NA +PJ064389 CCNNNEW C34H47N11O13S2 881.2797 NA PeJP NA NA +PJ064390 CCCCKHW C35H51N11O8S4 881.2805 NA PeJP NA NA +PJ064391 GSCDDDDR C30H47N11O18S 881.2822 NA PeJP NA NA +PJ064392 GPCCCDER C31H51N11O13S3 881.283 NA PeJP NA NA +PJ064393 GGGGGGSPCCM C31H51N11O13S3 881.2831 NA PeJP NA NA +PJ064394 SNDDDMW C35H47N9O16S 881.2862 NA PeJP NA NA +PJ064395 PCCNEMW C36H51N9O11S3 881.2871 NA PeJP NA NA +PJ064396 SSSNDDEE C31H47N9O21 881.2887 NA PeJP NA NA +PJ064397 SSSSPPCCD C32H51N9O16S2 881.2895 NA PeJP NA NA +PJ064398 NNDEEMM C32H51N9O16S2 881.2896 NA PeJP NA NA +PJ064399 GCDDFYY C40H47N7O14S 881.2902 NA PeJP NA NA +PJ064400 SDMMMMH C33H55N9O11S4 881.2904 NA PeJP NA NA +PJ064401 GPCCNDHH C33H47N13O12S2 881.2909 NA PeJP NA NA +PJ064402 PCCCFFY C41H51N7O9S3 881.2911 NA PeJP NA NA +PJ064403 PDDDEEY C36H47N7O19 881.2927 NA PeJP NA NA +PJ064404 SSCEMYY C37H51N7O14S2 881.2936 NA PeJP NA NA +PJ064405 SSSCCCHR C30H51N13O12S3 881.2943 NA PeJP NA NA +PJ064406 GCMMMFY C38H55N7O9S4 881.2944 NA PeJP NA NA +PJ064407 GCCNNWW C38H47N11O10S2 881.2949 NA PeJP NA NA +PJ064408 SEEEEEM C33H51N7O19S 881.2961 NA PeJP NA NA +PJ064409 PDEEMMM C34H55N7O14S3 881.297 NA PeJP NA NA +PJ064410 GSSCNNDW C34H47N11O15S 881.2974 NA PeJP NA NA +PJ064411 PCCCDRW C35H51N11O10S3 881.2983 NA PeJP NA NA +PJ064412 GSSSSNNDD C30H47N11O20 881.2999 NA PeJP NA NA +PJ064413 CNDDEMR C31H51N11O15S2 881.3008 NA PeJP NA NA +PJ064414 GSCDEWW C39H47N9O13S 881.3014 NA PeJP NA NA +PJ064415 PPTCCCCR C32H55N11O10S4 881.3017 NA PeJP NA NA +PJ064416 GPCCMWW C40H51N9O8S3 881.3023 NA PeJP NA NA +PJ064417 GSSSDDEW C35H47N9O18 881.3039 NA PeJP NA NA +PJ064418 GGGSPDDDY C35H47N9O18 881.304 NA PeJP NA NA +PJ064419 GNDEMMW C36H51N9O13S2 881.3048 NA PeJP NA NA +PJ064420 GSSNEEEM C32H51N9O18S 881.3073 NA PeJP NA NA +PJ064421 GSDDYYY C40H47N7O16 881.308 NA PeJP NA NA +PJ064422 GSPNDMMM C33H55N9O13S3 881.3082 NA PeJP NA NA +PJ064423 NNDDMHH C33H47N13O14S 881.3087 NA PeJP NA NA +PJ064424 APCCYYY C41H51N7O11S2 881.3088 NA PeJP NA NA +PJ064425 AMMMMMH C34H59N9O8S5 881.3091 NA PeJP NA NA +PJ064426 CCCNHFR C34H51N13O9S3 881.3095 NA PeJP NA NA +PJ064427 PDDEEMF C37H51N7O16S 881.3113 NA PeJP NA NA +PJ064428 CCDDDRR C30H51N13O14S2 881.312 NA PeJP NA NA +PJ064429 GSMMMYY C38H55N7O11S3 881.3122 NA PeJP NA NA +PJ064430 VDEEEMM C34H55N7O16S2 881.3147 NA PeJP NA NA +PJ064431 NNNNDEY C34H47N11O17 881.3152 NA PeJP NA NA +PJ064432 GCDDMRW C35H51N11O12S2 881.316 NA PeJP NA NA +PJ064433 GGGGSCQMW C35H51N11O12S2 881.3161 NA PeJP NA NA +PJ064434 SCDWWW C43H47N9O10S 881.3167 NA PeJP NA NA +PJ064435 ASSCDDER C31H51N11O17S 881.3185 NA PeJP NA NA +PJ064436 GSSDDDMR C31H51N11O17S 881.3186 NA PeJP NA NA +PJ064437 SSSDDWW C39H47N9O15 881.3192 NA PeJP NA NA +PJ064438 GSPCCEMR C32H55N11O12S3 881.3194 NA PeJP NA NA +PJ064439 GSCNNNHH C32H47N15O13S 881.3199 NA PeJP NA NA +PJ064440 NDMMWW C40H51N9O10S2 881.3201 NA PeJP NA NA +PJ064441 SSNEEMW C36H51N9O15S 881.3226 NA PeJP NA NA +PJ064442 SPCQMMW C37H55N9O10S3 881.3234 NA PeJP NA NA +PJ064443 GGAPPCCMF C37H55N9O10S3 881.3235 NA PeJP NA NA +PJ064444 GCNEHHW C37H47N13O11S 881.3239 NA PeJP NA NA +PJ064445 SSSSQEEE C32H51N9O20 881.3251 NA PeJP NA NA +PJ064446 SQQEEMM C33H55N9O15S2 881.3259 NA PeJP NA NA +PJ064447 GGGATEEMM C33H55N9O15S2 881.326 NA PeJP NA NA +PJ064448 GSSNDEHH C33H47N13O16 881.3264 NA PeJP NA NA +PJ064449 NEMYYY C41H51N7O13S 881.3266 NA PeJP NA NA +PJ064450 TTMMMMH C34H59N9O10S4 881.3268 NA PeJP NA NA +PJ064451 SCCNNRW C34H51N13O11S2 881.3273 NA PeJP NA NA +PJ064452 GCMMFFF C42H55N7O8S3 881.3275 NA PeJP NA NA +PJ064453 SPEEEEY C37H51N7O18 881.3291 NA PeJP NA NA +PJ064454 SSSCNNDR C30H51N13O16S 881.3298 NA PeJP NA NA +PJ064455 SSTMMYY C38H55N7O13S2 881.3299 NA PeJP NA NA +PJ064456 PPDEMMY C38H55N7O13S2 881.33 NA PeJP NA NA +PJ064457 GNNNDYW C38H47N11O14 881.3304 NA PeJP NA NA +PJ064458 GGGGGGGDYW C38H47N11O14 881.3305 NA PeJP NA NA +PJ064459 CNNNMMR C31H55N13O11S3 881.3306 NA PeJP NA NA +PJ064460 GGCNNMMR C31H55N13O11S3 881.3307 NA PeJP NA NA +PJ064461 CCERWW C39H51N11O9S2 881.3313 NA PeJP NA NA +PJ064462 SSCDERW C35H51N11O14S 881.3338 NA PeJP NA NA +PJ064463 NDDFWW C43H47N9O12 881.3345 NA PeJP NA NA +PJ064464 SPCCMRW C36H55N11O9S3 881.3347 NA PeJP NA NA +PJ064465 PCDHHHH C36H47N15O10S 881.3352 NA PeJP NA NA +PJ064466 ACMWWW C44H51N9O7S2 881.3353 NA PeJP NA NA +PJ064467 SSSSDDER C31H51N11O19 881.3363 NA PeJP NA NA +PJ064468 SNDEMMR C32H55N11O14S2 881.3372 NA PeJP NA NA +PJ064469 GSSEMWW C40H51N9O12S 881.3378 NA PeJP NA NA +PJ064470 PCNMMMR C33H59N11O9S4 881.338 NA PeJP NA NA +PJ064471 GGPCMMMR C33H59N11O9S4 881.3381 NA PeJP NA NA +PJ064472 MMMHFW C41H55N9O7S3 881.3387 NA PeJP NA NA +PJ064473 CNHHWW C41H47N13O8S 881.3392 NA PeJP NA NA +PJ064474 GSSSTEEW C36H51N9O17 881.3403 NA PeJP NA NA +PJ064475 GTQEMMW C37H55N9O12S2 881.3412 NA PeJP NA NA +PJ064476 SSNDHHW C37H47N13O13 881.3417 NA PeJP NA NA +PJ064477 GMYYYW C45H51N7O10S 881.3418 NA PeJP NA NA +PJ064478 CCCNQRR C30H55N15O10S3 881.3419 NA PeJP NA NA +PJ064479 ACMHHHF C38H51N13O8S2 881.3425 NA PeJP NA NA +PJ064480 GSSDKEEM C33H55N9O17S 881.3437 NA PeJP NA NA +PJ064481 GSTEYYY C41H51N7O15 881.3443 NA PeJP NA NA +PJ064482 PPDDEFY C41H51N7O15 881.3444 NA PeJP NA NA +PJ064483 VNQEMMM C34H59N9O12S3 881.3446 NA PeJP NA NA +PJ064484 CNNNDFR C34H51N13O13S 881.345 NA PeJP NA NA +PJ064485 GGGGCNDFR C34H51N13O13S 881.3451 NA PeJP NA NA +PJ064486 QMMFYY C42H55N7O10S2 881.3452 NA PeJP NA NA +PJ064487 PVDEEMY C38H55N7O15S 881.3477 NA PeJP NA NA +PJ064488 SCDDMRR C31H55N13O13S2 881.3484 NA PeJP NA NA +PJ064489 PPEMMMF C39H59N7O10S3 881.3486 NA PeJP NA NA +PJ064490 GNNNMFW C39H51N11O11S 881.3491 NA PeJP NA NA +PJ064491 TLEEEMM C35H59N7O15S2 881.3511 NA PeJP NA NA +PJ064492 SSSSSNQW C35H51N11O16 881.3515 NA PeJP NA NA +PJ064493 GGSSSSSQW C35H51N11O16 881.3516 NA PeJP NA NA +PJ064494 PLEMMMM C36H63N7O10S4 881.352 NA PeJP NA NA +PJ064495 GSDMMRW C36H55N11O11S2 881.3524 NA PeJP NA NA +PJ064496 GGGGGPCCKF C36H55N11O11S2 881.3525 NA PeJP NA NA +PJ064497 GEEHHHH C36H47N15O12 881.3529 NA PeJP NA NA +PJ064498 SSMWWW C44H51N9O9S 881.3531 NA PeJP NA NA +PJ064499 GSSSEEMR C32H55N11O16S 881.3549 NA PeJP NA NA +PJ064500 SSSTEWW C40H51N9O14 881.3556 NA PeJP NA NA +PJ064501 GQEMMMR C33H59N11O11S3 881.3558 NA PeJP NA NA +PJ064502 SCNEHHR C33H51N15O12S 881.3563 NA PeJP NA NA +PJ064503 TQMMWW C41H55N9O9S2 881.3564 NA PeJP NA NA +PJ064504 GATMMWW C41H55N9O9S2 881.3565 NA PeJP NA NA +MJ096805 Liposidomycin; Liposidomycin Y-I, 5,6,8,9-Tetrahydro, 3-deacyl C36H59N5O18S 881.35758 NA MeJP NA NA +PJ064505 STTQEMW C37H55N9O14S 881.3589 NA PeJP NA NA +PJ064506 SSDKEMW C37H55N9O14S 881.359 NA PeJP NA NA +PJ064507 STYYYW C45H51N7O12 881.3596 NA PeJP NA NA +PJ064508 GGGSSCCRR C30H55N15O12S2 881.3597 NA PeJP NA NA +PJ064509 GVQMMMW C38H59N9O9S3 881.3598 NA PeJP NA NA +PJ064510 GSQMHHW C38H51N13O10S 881.3603 NA PeJP NA NA +PJ064511 SSSSKEEE C33H55N9O19 881.3614 NA PeJP NA NA +PJ064512 SSSTDKEE C33H55N9O19 881.3615 NA PeJP NA NA +PJ064513 SQKEEMM C34H59N9O14S2 881.3623 NA PeJP NA NA +PJ064514 SNNNDRY C34H51N13O15 881.3628 NA PeJP NA NA +PJ064515 DKMYYY C42H55N7O12S 881.363 NA PeJP NA NA +PJ064516 PNKMMMM C35H63N9O9S4 881.3632 NA PeJP NA NA +PJ064517 AQQMMHH C35H55N13O10S2 881.3637 NA PeJP NA NA +PJ064518 SNNHHHH C35H47N17O11 881.3641 NA PeJP NA NA +PJ064519 GGGGSHHHH C35H47N17O11 881.3642 NA PeJP NA NA +PJ064520 GPPCHWW C43H51N11O8S 881.3643 NA PeJP NA NA +PJ064521 ALEEEEY C38H55N7O17 881.3655 NA PeJP NA NA +PJ064522 SSSSNNMR C31H55N13O15S 881.3662 NA PeJP NA NA +PJ064523 PVEEMMF C39H59N7O12S2 881.3663 NA PeJP NA NA +PJ064524 NDERYW C39H51N11O13 881.3668 NA PeJP NA NA +PJ064525 GCEMMRR C32H59N13O10S3 881.367 NA PeJP NA NA +PJ064526 GGGACCKMR C32H59N13O10S3 881.3671 NA PeJP NA NA +PJ064527 TCMRWW C40H55N11O8S2 881.3677 NA PeJP NA NA +PJ064528 EHHHHW C40H47N15O9 881.3682 NA PeJP NA NA +PJ064529 VLEEMMM C36H63N7O12S3 881.3697 NA PeJP NA NA +PJ064530 SSSEMRW C36H55N11O13S 881.3702 NA PeJP NA NA +PJ064531 AQEYWW C44H51N9O11 881.3708 NA PeJP NA NA +PJ064532 GGGPDFFW C44H51N9O11 881.3709 NA PeJP NA NA +PJ064533 QMMMRW C37H59N11O8S3 881.3711 NA PeJP NA NA +PJ064534 GSCHHRW C37H51N15O9S 881.3715 NA PeJP NA NA +PJ064535 SSSSTEER C32H55N11O18 881.3727 NA PeJP NA NA +PJ064536 STQEMMR C33H59N11O13S2 881.3736 NA PeJP NA NA +PJ064537 GSSSDHHR C33H51N15O14 881.374 NA PeJP NA NA +PJ064538 GGGGGGGAQQH C33H51N15O14 881.3741 NA PeJP NA NA +MJ096806 Callatostatin 5 C41H55N9O11S 881.374174 NA MeJP NA NA +PJ064539 GTTTMWW C41H55N9O11S 881.3742 NA PeJP NA NA +PJ064540 GFFYYW C49H51N7O9 881.3749 NA PeJP NA NA +PJ064541 SSSSSLEW C37H55N9O16 881.3767 NA PeJP NA NA +PJ064542 GTKEMMW C38H59N9O11S2 881.3776 NA PeJP NA NA +PJ064543 SSTQHHW C38H51N13O12 881.378 NA PeJP NA NA +PJ064544 GPDDHRW C38H51N13O12 881.3781 NA PeJP NA NA +PJ064545 QMFFFY C46H55N7O9S 881.3782 NA PeJP NA NA +PJ064546 CCCNKRR C31H59N15O9S3 881.3783 NA PeJP NA NA +PJ064547 GSTTKEEM C34H59N9O16S 881.3801 NA PeJP NA NA +PJ064548 SSSLYYY C42H55N7O14 881.3807 NA PeJP NA NA +PJ064549 ASSPKMMM C35H63N9O11S3 881.3809 NA PeJP NA NA +PJ064550 VNKEMMM C35H63N9O11S3 881.381 NA PeJP NA NA +PJ064551 GNNQMRY C35H55N13O12S 881.3814 NA PeJP NA NA +PJ064552 GGGGGGGPVMH C35H55N13O12S 881.3815 NA PeJP NA NA +PJ064553 KMMFYY C43H59N7O9S2 881.3816 NA PeJP NA NA +PJ064554 GDRYWW C43H51N11O10 881.3821 NA PeJP NA NA +PJ064555 CMMRRW C36H59N13O7S3 881.3823 NA PeJP NA NA +PJ064556 GSSSSSSQR C31H55N13O17 881.3839 NA PeJP NA NA +PJ064557 PTLEEMY C39H59N7O14S 881.3841 NA PeJP NA NA +PJ064558 SSDMMRR C32H59N13O12S2 881.3848 NA PeJP NA NA +PJ064559 PPLMMMY C40H63N7O9S3 881.385 NA PeJP NA NA +PJ064560 NNNNNHR C32H51N17O13 881.3853 NA PeJP NA NA +PJ064561 GPTCRYW C40H55N11O10S 881.3854 NA PeJP NA NA +PJ064562 GGEMFRW C40H55N11O10S 881.3855 NA PeJP NA NA +PJ064563 AAYWWW C48H51N9O8 881.3861 NA PeJP NA NA +PJ064564 SSSSSNKW C36H55N11O15 881.3879 NA PeJP NA NA +PJ064565 GGATEERY C36H55N11O15 881.388 NA PeJP NA NA +PJ064566 GTTMMRW C37H59N11O10S2 881.3888 NA PeJP NA NA +PJ064567 GNDHHFR C37H51N15O11 881.3893 NA PeJP NA NA +PJ064568 PCKYWW C45H55N9O8S 881.3895 NA PeJP NA NA +PJ064569 GSTTTEMR C33H59N11O15S 881.3913 NA PeJP NA NA +PJ064570 STTTTWW C41H55N9O13 881.392 NA PeJP NA NA +PJ064571 GKEMMMR C34H63N11O10S3 881.3922 NA PeJP NA NA +PJ064572 SSQMHHR C34H55N15O11S 881.3926 NA PeJP NA NA +PJ064573 GCNNRRY C34H55N15O11S 881.3927 NA PeJP NA NA +PJ064574 TKMMWW C42H59N9O8S2 881.3928 NA PeJP NA NA +PJ064575 QQHHFW C42H51N13O9 881.3933 NA PeJP NA NA +PJ064576 STTKEMW C38H59N9O13S 881.3953 NA PeJP NA NA +PJ064577 GGGGVLEMY C38H59N9O13S 881.3954 NA PeJP NA NA +MJ096807 Enopeptin A; 4-De-Me C46H55N7O11 881.395955 NA MeJP NA NA +PJ064578 VQFYYY C46H55N7O11 881.396 NA PeJP NA NA +PJ064579 GVKMMMW C39H63N9O8S3 881.3962 NA PeJP NA NA +PJ064580 CDFRRW C39H55N13O9S 881.3967 NA PeJP NA NA +PJ064581 APHWWW C47H51N11O7 881.3973 NA PeJP NA NA +PJ064582 SSTTTKEE C34H59N9O18 881.3978 NA PeJP NA NA +PJ064583 SKKEEMM C35H63N9O13S2 881.3987 NA PeJP NA NA +PJ064584 GSDERRY C35H55N13O14 881.3992 NA PeJP NA NA +PJ064585 PPVEMFY C43H59N7O11S 881.3994 NA PeJP NA NA +PJ064586 PTCCFRR C36H59N13O9S2 881.4 NA PeJP NA NA +PJ064587 GPCMRRY C36H59N13O9S2 881.4001 NA PeJP NA NA +PJ064588 GMFRWW C44H55N11O7S 881.4007 NA PeJP NA NA +PJ064589 SLLEEEY C39H59N7O16 881.4019 NA PeJP NA NA +PJ064590 SSSSCQKR C32H59N13O14S 881.4025 NA PeJP NA NA +PJ064591 PVLEMMY C40H63N7O11S2 881.4027 NA PeJP NA NA +PJ064592 TQERYW C40H55N11O12 881.4032 NA PeJP NA NA +PJ064593 GTMMMRR C33H63N13O9S3 881.4034 NA PeJP NA NA +PJ064594 SSCHHRR C33H55N17O10S 881.4039 NA PeJP NA NA +PJ064595 APHHHHF C41H51N15O8 881.4045 NA PeJP NA NA +PJ064596 STTTMRW C37H59N11O12S 881.4066 NA PeJP NA NA +PJ064597 AKEYWW C45H55N9O10 881.4072 NA PeJP NA NA +PJ064598 KMMMRW C38H63N11O7S3 881.4074 NA PeJP NA NA +PJ064599 ALMHHHH C38H55N15O8S 881.4079 NA PeJP NA NA +PJ064600 SSTTTTER C33H59N11O17 881.4091 NA PeJP NA NA +PJ064601 STKEMMR C34H63N11O12S2 881.4099 NA PeJP NA NA +PJ064602 GGGSSKKMM C34H63N11O12S2 881.41 NA PeJP NA NA +PJ064603 SPDDHRR C34H55N15O13 881.4104 NA PeJP NA NA +PJ064604 GGGGGGGGGPPR C34H55N15O13 881.4105 NA PeJP NA NA +PJ064605 GPTKMYW C42H59N9O10S 881.4106 NA PeJP NA NA +PJ064606 QFFFFF C50H55N7O8 881.4112 NA PeJP NA NA +PJ064607 ACKMHHR C35H59N15O8S2 881.4113 NA PeJP NA NA +PJ064608 SSSTTTLW C38H59N9O15 881.4131 NA PeJP NA NA +PJ064609 SSLKMMW C39H63N9O10S2 881.414 NA PeJP NA NA +PJ064610 SDRRYW C39H55N13O11 881.4144 NA PeJP NA NA +PJ064611 GGGGSPKHW C39H55N13O11 881.4145 NA PeJP NA NA +PJ064612 KMFFFY C47H59N7O8S 881.4146 NA PeJP NA NA +PJ064613 SSSTLKEM C35H63N9O15S 881.4165 NA PeJP NA NA +PJ064614 PPTLEYY C43H59N7O13 881.4171 NA PeJP NA NA +PJ064615 VDKKMMM C36H67N9O10S3 881.4173 NA PeJP NA NA +PJ064616 QEMRRY C36H59N13O11S 881.4178 NA PeJP NA NA +PJ064617 PPLMMFF C44H63N7O8S2 881.418 NA PeJP NA NA +PJ064618 ATRYWW C44H55N11O9 881.4184 NA PeJP NA NA +PJ064619 STFRWW C44H55N11O9 881.4185 NA PeJP NA NA +PJ064620 GSSSSSSKR C32H59N13O16 881.4203 NA PeJP NA NA +PJ064621 VVLEEMY C40H63N7O13S 881.4205 NA PeJP NA NA +PJ064622 STTMMRR C33H63N13O11S2 881.4212 NA PeJP NA NA +PJ064623 PLLMMMF C41H67N7O8S3 881.4214 NA PeJP NA NA +PJ064624 ANNDHRR C33H55N17O12 881.4216 NA PeJP NA NA +PJ064625 GNNEHRR C33H55N17O12 881.4217 NA PeJP NA NA +PJ064626 VQMRYW C41H59N11O9S 881.4218 NA PeJP NA NA +PJ064627 VHFFFW C49H55N9O7 881.4225 NA PeJP NA NA +PJ064628 GTKEERY C37H59N11O14 881.4243 NA PeJP NA NA +PJ064629 GGGALLEEH C37H59N11O14 881.4244 NA PeJP NA NA +PJ064630 LLLMMMM C38H71N7O8S4 881.4247 NA PeJP NA NA +PJ064631 SCCKKKW C38H63N11O9S2 881.4252 NA PeJP NA NA +PJ064632 QQQHRW C38H55N15O10 881.4257 NA PeJP NA NA +PJ064633 CLKFWW C46H59N9O7S 881.4259 NA PeJP NA NA +PJ064634 SSSTTLMR C34H63N11O14S 881.4277 NA PeJP NA NA +PJ064635 SPTTKYW C42H59N9O12 881.4283 NA PeJP NA NA +PJ064636 KKEEYW C42H59N9O12 881.4284 NA PeJP NA NA +PJ064637 SVKMMMR C35H67N11O9S3 881.4286 NA PeJP NA NA +PJ064638 CERRRY C35H59N15O10S 881.429 NA PeJP NA NA +PJ064639 GPEMHRR C35H59N15O10S 881.4291 NA PeJP NA NA +PJ064640 PTHRWW C43H55N13O8 881.4297 NA PeJP NA NA +PJ064641 SPKKEMY C39H63N9O12S 881.4317 NA PeJP NA NA +PJ064642 VKFYYY C47H59N7O10 881.4324 NA PeJP NA NA +PJ064643 AMRRYW C40H59N13O8S 881.4331 NA PeJP NA NA +PJ064644 TTTTTTKE C35H63N9O17 881.4342 NA PeJP NA NA +PJ064645 GTTTLKMM C36H67N9O12S2 881.4351 NA PeJP NA NA +MJ096808 Pheganomycin DR C36H59N13O13 881.435529 NA MeJP NA NA +PJ064646 GTTERRY C36H59N13O13 881.4356 NA PeJP NA NA +PJ064647 PPVLMYY C44H63N7O10S 881.4357 NA PeJP NA NA +PJ064648 PVLEMFF C44H63N7O10S 881.4358 NA PeJP NA NA +PJ064649 AAMMFRR C37H63N13O8S2 881.4364 NA PeJP NA NA +PJ064650 NNHRRW C37H55N17O9 881.4369 NA PeJP NA NA +PJ064651 SSSSCKKR C33H63N13O13S 881.4389 NA PeJP NA NA +PJ064652 VLLEMMF C41H67N7O10S2 881.4391 NA PeJP NA NA +PJ064653 TKERYW C41H59N11O11 881.4396 NA PeJP NA NA +PJ064654 SPTKMRY C38H63N11O11S 881.4429 NA PeJP NA NA +PJ064655 GVKEMRY C38H63N11O11S 881.443 NA PeJP NA NA +PJ064656 SLKYWW C46H59N9O9 881.4436 NA PeJP NA NA +PJ064657 PMHRRW C39H59N15O7S 881.4443 NA PeJP NA NA +PJ064658 TTTTTTTR C34H63N11O16 881.4454 NA PeJP NA NA +PJ064659 GSSSSTTKK C34H63N11O16 881.4455 NA PeJP NA NA +PJ064660 GSTCKKKM C35H67N11O11S2 881.4463 NA PeJP NA NA +PJ064661 GVEEHRR C35H59N15O12 881.4468 NA PeJP NA NA +PJ064662 AALKMYW C43H63N9O9S 881.447 NA PeJP NA NA +PJ064663 KFFFFF C51H59N7O7 881.4476 NA PeJP NA NA +PJ064664 SVKKEEY C39H63N9O14 881.4495 NA PeJP NA NA +PJ064665 VVQKMMF C40H67N9O9S2 881.4503 NA PeJP NA NA +PJ064666 PCLKKMY C40H67N9O9S2 881.4504 NA PeJP NA NA +PJ064667 TTRRYW C40H59N13O10 881.4508 NA PeJP NA NA +PJ064668 STTTTLKM C36H67N9O14S 881.4528 NA PeJP NA NA +PJ064669 PVVLEYY C44H63N7O12 881.4535 NA PeJP NA NA +PJ064670 TLKKMMM C37H71N9O9S3 881.4537 NA PeJP NA NA +PJ064671 KEMRRY C37H63N13O10S 881.4542 NA PeJP NA NA +PJ064672 LLQHWW C45H59N11O8 881.4548 NA PeJP NA NA +PJ064673 GALLHWW C45H59N11O8 881.4549 NA PeJP NA NA +PJ064674 TLLLEMY C41H67N7O12S 881.4569 NA PeJP NA NA +PJ064675 EEHRRR C34H59N17O11 881.458 NA PeJP NA NA +PJ064676 GGGDKHRR C34H59N17O11 881.4581 NA PeJP NA NA +PJ064677 VKMRYW C42H63N11O8S 881.4582 NA PeJP NA NA +PJ064678 SSLKERY C38H63N11O13 881.4607 NA PeJP NA NA +PJ064679 GLKMMFR C39H67N11O8S2 881.4616 NA PeJP NA NA +PJ064680 VEHRRW C39H59N15O9 881.4621 NA PeJP NA NA +PJ064681 SSSSKKKM C35H67N11O13S 881.4641 NA PeJP NA NA +PJ064682 ATTLKYW C43H63N9O11 881.4647 NA PeJP NA NA +MJ096809 Lactoferroxin C C43H63N9O11 881.464703 NA MeJP NA NA +PJ064683 AAPPVLEW C43H63N9O11 881.4648 NA PeJP NA NA +PJ064684 TMRRRY C36H63N15O9S 881.4654 NA PeJP NA NA +PJ064685 VVHRWW C44H59N13O7 881.4661 NA PeJP NA NA +PJ064686 ALKKEMY C40H67N9O11S 881.4681 NA PeJP NA NA +PJ064687 PPVLFFY C48H63N7O9 881.4688 NA PeJP NA NA +PJ064688 GSNHRRR C33H59N19O10 881.4693 NA PeJP NA NA +PJ064689 SSTLRRY C37H63N13O12 881.4719 NA PeJP NA NA +PJ064690 GGSSKKRY C37H63N13O12 881.472 NA PeJP NA NA +PJ064691 PVLLMFY C45H67N7O9S 881.4721 NA PeJP NA NA +PJ064692 APKHHHR C38H59N17O8 881.4733 NA PeJP NA NA +PJ064693 VLLLMMY C42H71N7O9S2 881.4755 NA PeJP NA NA +PJ064694 PPVVERW C42H63N11O10 881.476 NA PeJP NA NA +MJ096810 Tylosin; 3C-Demethoxy, 2C,3C-didehydro, 4C-ketone C45H71NO16 881.477285 NA MeJP NA NA +PJ064695 ATLKMRY C39H67N11O10S 881.4793 NA PeJP NA NA +PJ064696 GGAKKKMY C39H67N11O10S 881.4794 NA PeJP NA NA +PJ064697 APPLLWW C47H63N9O8 881.48 NA PeJP NA NA +PJ064698 ATLEHRR C36H63N15O11 881.4832 NA PeJP NA NA +PJ064699 PCLKKFF C44H67N9O8S 881.4834 NA PeJP NA NA +PJ064700 TTLKKEY C40H67N9O13 881.4859 NA PeJP NA NA +PJ064701 VVKKMMF C41H71N9O8S2 881.4867 NA PeJP NA NA +PJ064702 GTLLHRW C41H63N13O9 881.4872 NA PeJP NA NA +PJ064703 PTLLLYY C45H67N7O11 881.4899 NA PeJP NA NA +PJ064704 GCKKKRY C38H67N13O9S 881.4906 NA PeJP NA NA +PJ064705 LLKHWW C46H63N11O7 881.4912 NA PeJP NA NA +PJ064706 SPPNRRR C35H63N17O10 881.4944 NA PeJP NA NA +PJ064707 TTTLKRY C39H67N11O12 881.4971 NA PeJP NA NA +PJ064708 QKKHRW C40H63N15O8 881.4984 NA PeJP NA NA +PJ064709 GAKKHRW C40H63N15O8 881.4985 NA PeJP NA NA +PJ064710 PPLLKEW C44H67N9O10 881.5011 NA PeJP NA NA +PJ064711 GLLMHRR C37H67N15O8S 881.5018 NA PeJP NA NA +PJ064712 SLLKKMY C41H71N9O10S 881.5045 NA PeJP NA NA +PJ064713 PVLLFFF C49H67N7O8 881.5052 NA PeJP NA NA +PJ064714 SLLKEHR C38H67N13O11 881.5083 NA PeJP NA NA +PJ064715 AAPPDKKR C38H67N13O11 881.5084 NA PeJP NA NA +PJ064716 VLLLMFF C46H71N7O8S 881.5085 NA PeJP NA NA +PJ064717 PPTLLRW C43H67N11O9 881.5124 NA PeJP NA NA +PJ064718 GKKKKMY C40H71N11O9S 881.5157 NA PeJP NA NA +PJ064719 STLLHRR C37H67N15O10 881.5196 NA PeJP NA NA +PJ064720 SPPVLLKE C41H71N9O12 881.5223 NA PeJP NA NA +PJ064721 APPKKRW C42H67N13O8 881.5236 NA PeJP NA NA +PJ064722 VVLLLYY C46H71N7O10 881.5263 NA PeJP NA NA +PJ064723 PPLLMRR C39H71N13O8S 881.527 NA PeJP NA NA +PJ064724 GPLQRRR C36H67N17O9 881.5308 NA PeJP NA NA +PJ064725 STKKKKY C40H71N11O11 881.5335 NA PeJP NA NA +PJ064726 KKKHRW C41H67N15O7 881.5348 NA PeJP NA NA +PJ064727 PLLLLQW C45H71N9O9 881.5375 NA PeJP NA NA +PJ064728 APPLLLKM C42H75N9O9S 881.5409 NA PeJP NA NA +PJ064729 AAPRRRR C35H67N19O8 881.542 NA PeJP NA NA +PJ064730 PVLLERR C39H71N13O10 881.5447 NA PeJP NA NA +PJ064731 PVVLLRW C44H71N11O8 881.5488 NA PeJP NA NA +PJ064732 LLLKKMH C41H75N11O8S 881.5521 NA PeJP NA NA +PJ064733 PPTKKRR C38H71N15O9 881.556 NA PeJP NA NA +PJ064734 APVLLLKE C42H75N9O11 881.5586 NA PeJP NA NA +PJ064735 GPLLLLKE C42H75N9O11 881.5587 NA PeJP NA NA +PJ064736 GPLKRRR C37H71N17O8 881.5672 NA PeJP NA NA +PJ064737 GPTLLLLR C41H75N11O10 881.5699 NA PeJP NA NA +PJ064738 PLLLLKW C46H75N9O8 881.5739 NA PeJP NA NA +PJ064739 PLLQKKR C40H75N13O9 881.5811 NA PeJP NA NA +PJ064740 PVVKKRR C39H75N15O8 881.5924 NA PeJP NA NA +HMDB08649 PC(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C52H84NO8P 881.593445 NA HMDB2010 NA NA +HMDB08680 PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C52H84NO8P 881.593445 NA HMDB2010 NA NA +HMDB08681 PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C52H84NO8P 881.593445 NA HMDB2010 NA NA +HMDB08713 PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C52H84NO8P 881.593445 NA HMDB2010 NA NA +HMDB08714 PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C52H84NO8P 881.593445 NA HMDB2010 NA NA +HMDB08745 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) C52H84NO8P 881.593445 NA HMDB2010 NA NA +PJ064741 SPVLLLLK C43H79N9O10 881.595 NA PeJP NA NA +PJ064742 AALLLLLR C42H79N11O9 881.6063 NA PeJP NA NA +PJ064743 VLLLLRR C41H79N13O8 881.6175 NA PeJP NA NA +PJ064744 GLLLLLLK C44H83N9O9 881.6314 NA PeJP NA NA +HMDB09575 PE(22:2(13Z,16Z)/24:1(15Z)) C51H96NO8P 881.687378 NA HMDB2010 NA NA +HMDB09767 PE(24:1(15Z)/22:2(13Z,16Z)) C51H96NO8P 881.687378 NA HMDB2010 NA NA +HMDB13449 PC(o-22:0/22:3(10Z,13Z,16Z)) C52H100NO7P 881.723755 NA HMDB2010 NA NA +HMDB13452 PC(o-22:1(13Z)/22:2(13Z,16Z)) C52H100NO7P 881.723755 NA HMDB2010 NA NA +8186 anticancer peptide AYRNRYRRQYRY 881.94745 MH2+ Inhouse_peptide NA peptide +PJ064745 CCCCCCDM C27H46N8O11S7 882.1331 NA PeJP NA NA +MJ096811 3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 3''-Deoxy, 5'''-hydroxy, 3,3'-bis(3,4,5-trihydroxybenzoyl) C44H34O20 882.164343 NA MeJP NA NA +MJ096812 3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 3,3'-Bis(3,4,5-trihydroxybenzoyl) C44H34O20 882.164343 NA MeJP NA NA +MJ096813 3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3,3'-Bis(3,4,5-trihydroxybenzoyl) C44H34O20 882.164343 NA MeJP NA NA +PJ064746 SCCCCCMM C28H50N8O10S7 882.1695 NA PeJP NA NA +PJ064747 GCCCCCEY C31H46N8O12S5 882.1839 NA PeJP NA NA +PJ064748 PCCCCCDH C30H46N10O11S5 882.1952 NA PeJP NA NA +PJ064749 CCCCCYW C35H46N8O9S5 882.1992 NA PeJP NA NA +MJ096814 3,3',4',5',7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan(6?4)-3,3',4',5',7-pentahydroxyflavan, 5B-Hydroxy C45H38O19 882.200729 NA MeJP NA NA +MJ096815 [3,3',4',5,7-Pentahydroxyflavan(4?8)]2-3,3',4',5,7-pentahydroxyflavan, 5A-Hydroxy C45H38O19 882.200729 NA MeJP NA NA +MJ096816 [3,3',4',5,7-Pentahydroxyflavan(4?8)]2-3,3',4',5,7-pentahydroxyflavan, 5B-Hydroxy C45H38O19 882.200729 NA MeJP NA NA +PJ064750 SSCCCCDY C31H46N8O14S4 882.2017 NA PeJP NA NA +PJ064751 ACCCCCMF C32H50N8O9S6 882.2025 NA PeJP NA NA +PJ064752 GCCCDDMH C30H46N10O13S4 882.2129 NA PeJP NA NA +PJ064753 GCDDDDDE C30H42N8O21S 882.2186 NA PeJP NA NA +PJ064754 GTCCCCMY C32H50N8O11S5 882.2203 NA PeJP NA NA +PJ064755 SCCCCNNH C29H46N12O12S4 882.2241 NA PeJP NA NA +PJ064756 GGGGSCCCCH C29H46N12O12S4 882.2242 NA PeJP NA NA +PJ064757 CCCCEHW C34H46N10O10S4 882.2282 NA PeJP NA NA +PJ064758 SSCCCDEH C30H46N10O15S3 882.2307 NA PeJP NA NA +PJ064759 SPCCCCMH C31H50N10O10S5 882.2315 NA PeJP NA NA +PJ064760 CDDDDDW C34H42N8O18S 882.2338 NA PeJP NA NA +PJ064761 CCCNDYY C35H46N8O13S3 882.2347 NA PeJP NA NA +PJ064762 SSDDDDDD C30H42N8O23 882.2363 NA PeJP NA NA +PJ064763 SPCCDDDE C31H46N8O18S2 882.2372 NA PeJP NA NA +PJ064764 SSSCCCMY C32H50N8O13S4 882.238 NA PeJP NA NA +PJ064765 PPCCCDDM C32H50N8O13S4 882.2381 NA PeJP NA NA +PJ064766 GCNNDDDM C30H46N10O17S2 882.2484 NA PeJP NA NA +PJ064767 GSCCDMMH C31H50N10O12S4 882.2493 NA PeJP NA NA +PJ064768 CCCNMFY C36H50N8O10S4 882.2533 NA PeJP NA NA +PJ064769 ATCDDDDE C31H46N8O20S 882.2549 NA PeJP NA NA +PJ064770 GSDDDDEM C31H46N8O20S 882.255 NA PeJP NA NA +MJ096817 Corynebactin C39H42N6O18 882.255558 NA MeJP NA NA +C12219 Corynebactin C39H42N6O18 882.2556 NA KEGG NA NA +PJ064771 GPCDDDMM C32H50N8O15S3 882.2558 NA PeJP NA NA +PJ064772 SCCNNNND C29H46N12O16S2 882.2596 NA PeJP NA NA +PJ064773 GGSCCNNND C29H46N12O16S2 882.2597 NA PeJP NA NA +PJ064774 CCNNDEW C34H46N10O14S2 882.2637 NA PeJP NA NA +PJ064775 TCCCMHW C35H50N10O9S4 882.2645 NA PeJP NA NA +PJ064776 APCCCCHF C35H50N10O9S4 882.2646 NA PeJP NA NA +PJ064777 SSCNNDDE C30H46N10O19S 882.2662 NA PeJP NA NA +PJ064778 SSSCCEMH C31H50N10O14S3 882.267 NA PeJP NA NA +PJ064779 GGSPCCNDM C31H50N10O14S3 882.2671 NA PeJP NA NA +PJ064780 CCQMMMH C32H54N10O9S5 882.2679 NA PeJP NA NA +PJ064781 GSCCCHHH C32H46N14O10S3 882.2684 NA PeJP NA NA +PJ064782 SDDDDMW C35H46N8O17S 882.2702 NA PeJP NA NA +PJ064783 PCCDEMW C36H50N8O12S3 882.2711 NA PeJP NA NA +PJ064784 SSSDDDEE C31H46N8O22 882.2727 NA PeJP NA NA +PJ064785 NDDEEMM C32H50N8O17S2 882.2736 NA PeJP NA NA +PJ064786 SPPCCDMM C33H54N8O12S4 882.2744 NA PeJP NA NA +PJ064787 GPCCDDHH C33H46N12O13S2 882.2749 NA PeJP NA NA +PJ064788 GCCNNNQM C30H50N12O13S3 882.2783 NA PeJP NA NA +PJ064789 GCCNDWW C38H46N10O11S2 882.2789 NA PeJP NA NA +PJ064790 CCCMMHR C31H54N12O8S5 882.2792 NA PeJP NA NA +PJ064791 GSSCNDDW C34H46N10O16S 882.2814 NA PeJP NA NA +PJ064792 GSPCCCQW C35H50N10O11S3 882.2823 NA PeJP NA NA +PJ064793 GSSSSNDDD C30H46N10O21 882.2839 NA PeJP NA NA +PJ064794 CDDDEMR C31H50N10O16S2 882.2848 NA PeJP NA NA +PJ064795 GSSCMMMH C32H54N10O11S4 882.2857 NA PeJP NA NA +PJ064796 CCCNFFF C40H50N8O9S3 882.2863 NA PeJP NA NA +PJ064797 GSPDDDDY C35H46N8O19 882.288 NA PeJP NA NA +MJ096818 AH18 C51H46O14 882.288756 NA MeJP NA NA +MJ096819 AH20 C51H46O14 882.288756 NA MeJP NA NA +PJ064798 GDDEMMW C36H50N8O14S2 882.2888 NA PeJP NA NA +PJ064799 GCCCNNNR C29H50N14O12S3 882.2895 NA PeJP NA NA +PJ064800 GSSDEEEM C32H50N8O19S 882.2913 NA PeJP NA NA +PJ064801 GSPDDMMM C33H54N8O14S3 882.2922 NA PeJP NA NA +PJ064802 NDDDMHH C33H46N12O15S 882.2927 NA PeJP NA NA +PJ064803 APPCCMMM C34H58N8O9S5 882.2931 NA PeJP NA NA +PJ064804 CCCDHFR C34H50N12O10S3 882.2935 NA PeJP NA NA +PJ064805 GSCCNDER C30H50N12O15S2 882.296 NA PeJP NA NA +PJ064806 GGGSCCDER C30H50N12O15S2 882.2961 NA PeJP NA NA +PJ064807 GPCCCNMR C31H54N12O10S4 882.2969 NA PeJP NA NA +PJ064808 GCCMHFW C39H50N10O8S3 882.2976 NA PeJP NA NA +PJ064809 NNNDDEY C34H46N10O18 882.2992 NA PeJP NA NA +PJ064810 SCCQQEW C35H50N10O13S2 882.3 NA PeJP NA NA +PJ064811 SCNNEMW C35H50N10O13S2 882.3001 NA PeJP NA NA +PJ064812 SSSCDQQE C31H50N10O18S 882.3025 NA PeJP NA NA +PJ064813 SSSNNDEM C31H50N10O18S 882.3026 NA PeJP NA NA +PJ064814 GDDDEFW C39H46N8O16 882.3032 NA PeJP NA NA +PJ064815 SSSTCMMH C32H54N10O13S3 882.3034 NA PeJP NA NA +PJ064816 GGGGGGEMMM C32H54N10O13S3 882.3035 NA PeJP NA NA +PJ064817 GSCNNDHH C32H46N14O14S 882.3039 NA PeJP NA NA +PJ064818 DDMMWW C40H50N8O11S2 882.3041 NA PeJP NA NA +PJ064819 CCKMMMH C33H58N10O8S5 882.3043 NA PeJP NA NA +PJ064820 SSDEEMW C36H50N8O16S 882.3066 NA PeJP NA NA +PJ064821 SPCEMMW C37H54N8O11S3 882.3074 NA PeJP NA NA +PJ064822 PPPTCCCY C37H54N8O11S3 882.3075 NA PeJP NA NA +PJ064823 GCDEHHW C37H46N12O12S 882.3079 NA PeJP NA NA +PJ064824 SSSSEEEE C32H50N8O21 882.3091 NA PeJP NA NA +PJ064825 SQEEEMM C33H54N8O16S2 882.3099 NA PeJP NA NA +PJ064826 TNEEEMM C33H54N8O16S2 882.31 NA PeJP NA NA +PJ064827 GSSDDEHH C33H46N12O17 882.3104 NA PeJP NA NA +PJ064828 GGGGGPDDDH C33H46N12O17 882.3105 NA PeJP NA NA +PJ064829 DEMYYY C41H50N6O14S 882.3106 NA PeJP NA NA +PJ064830 PNEMMMM C34H58N8O11S4 882.3108 NA PeJP NA NA +PJ064831 SCCNDRW C34H50N12O12S2 882.3113 NA PeJP NA NA +PJ064832 SSSCNDDR C30H50N12O17S 882.3138 NA PeJP NA NA +PJ064833 GNNDDYW C38H46N10O15 882.3144 NA PeJP NA NA +PJ064834 GGGNDDYW C38H46N10O15 882.3145 NA PeJP NA NA +PJ064835 CNNDMMR C31H54N12O12S3 882.3147 NA PeJP NA NA +PJ064836 GSCNMWW C39H50N10O10S2 882.3153 NA PeJP NA NA +PJ064837 GSSSNDMW C35H50N10O15S 882.3178 NA PeJP NA NA +PJ064838 DDDFWW C43H46N8O13 882.3185 NA PeJP NA NA +PJ064839 GNNMMMW C36H54N10O10S3 882.3187 NA PeJP NA NA +PJ064840 GSSSSSNEE C31H50N10O20 882.3203 NA PeJP NA NA +PJ064841 SDDEMMR C32H54N10O15S2 882.3212 NA PeJP NA NA +PFEM042F1 Folate F1 882.3215 NA Inhouse_original NA NA +PJ064842 GPDDMYW C40H50N8O13S 882.3218 NA PeJP NA NA +PJ064843 PCDMMMR C33H58N10O10S4 882.3221 NA PeJP NA NA +PJ064844 CNNQMHH C33H50N14O11S2 882.3225 NA PeJP NA NA +PJ064845 GGGGGACMHH C33H50N14O11S2 882.3226 NA PeJP NA NA +PJ064846 PPCCMFW C41H54N8O8S3 882.3227 NA PeJP NA NA +PJ064847 CDHHWW C41H46N12O9S 882.3232 NA PeJP NA NA +PJ064848 GQEEEEY C36H50N8O18 882.3243 NA PeJP NA NA +PJ064849 GGAEEEEY C36H50N8O18 882.3244 NA PeJP NA NA +PJ064850 GTEEMMW C37H54N8O13S2 882.3252 NA PeJP NA NA +PJ064851 SSDDHHW C37H46N12O14 882.3257 NA PeJP NA NA +PJ064852 CCCNERR C30H54N14O11S3 882.3259 NA PeJP NA NA +PJ064853 GPMMMMW C38H58N8O8S4 882.3261 NA PeJP NA NA +PJ064854 PTCCHHW C38H50N12O9S2 882.3265 NA PeJP NA NA +PJ064855 GSTTEEEM C33H54N8O18S 882.3277 NA PeJP NA NA +PJ064856 VNEEMMM C34H58N8O13S3 882.3286 NA PeJP NA NA +PJ064857 NNNNNMY C34H50N12O14S 882.329 NA PeJP NA NA +PJ064858 GGGGNNNMY C34H50N12O14S 882.3291 NA PeJP NA NA +PJ064859 EMMFYY C42H54N6O11S2 882.3292 NA PeJP NA NA +PJ064860 GCCQMRW C35H54N12O9S3 882.3299 NA PeJP NA NA +PJ064861 SSSSSSNNN C30H50N12O19 882.3315 NA PeJP NA NA +PJ064862 GGGGSSSSSSN C30H50N12O19 882.3316 NA PeJP NA NA +PJ064863 GSSCNEMR C31H54N12O14S2 882.3324 NA PeJP NA NA +PJ064864 SSSCQWW C39H50N10O12S 882.3331 NA PeJP NA NA +PJ064865 APCCCCKR C32H58N12O9S4 882.3333 NA PeJP NA NA +PJ064866 CCNNHHR C32H50N16O10S2 882.3338 NA PeJP NA NA +PJ064867 SSSSSNEW C35H50N10O17 882.3356 NA PeJP NA NA +PJ064868 SSNQMMW C36H54N10O12S2 882.3364 NA PeJP NA NA +PJ064869 GGGGSTMMW C36H54N10O12S2 882.3365 NA PeJP NA NA +PJ064870 PCEYWW C44H50N8O10S 882.3371 NA PeJP NA NA +PJ064871 SSSSQQEM C32H54N10O17S 882.3389 NA PeJP NA NA +PJ064872 GGGGSSTTEM C32H54N10O17S 882.339 NA PeJP NA NA +PJ064873 QEEEYW C40H50N8O15 882.3396 NA PeJP NA NA +PJ064874 GEEMMMR C33H58N10O12S3 882.3398 NA PeJP NA NA +PJ064875 SCDEHHR C33H50N14O13S 882.3403 NA PeJP NA NA +MJ096820 13',13'-Bis(10'-hydroxyperrottetin E) C56H50O10 882.340397 NA MeJP NA NA +PJ064876 TEMMWW C41H54N8O10S2 882.3405 NA PeJP NA NA +PJ064877 GCCCRRW C34H54N14O8S3 882.3412 NA PeJP NA NA +PJ064878 STTEEMW C37H54N8O15S 882.343 NA PeJP NA NA +PJ064879 PDYYYY C45H50N6O13 882.3436 NA PeJP NA NA +PJ064880 GSSCCDRR C30H54N14O13S2 882.3437 NA PeJP NA NA +PJ064881 GVEMMMW C38H58N8O10S3 882.3438 NA PeJP NA NA +PJ064882 GSEMHHW C38H50N12O11S 882.3443 NA PeJP NA NA +PJ064883 SSTTTEEE C33H54N8O20 882.3455 NA PeJP NA NA +PJ064884 SKEEEMM C34H58N8O15S2 882.3463 NA PeJP NA NA +PJ064885 SNNDDRY C34H50N12O16 882.3468 NA PeJP NA NA +PJ064886 PDKMMMM C35H62N8O10S4 882.3472 NA PeJP NA NA +PJ064887 SSCNMRW C35H54N12O11S2 882.3477 NA PeJP NA NA +PJ064888 SNDHHHH C35H46N16O12 882.3482 NA PeJP NA NA +PJ064889 CNQFWW C43H50N10O9S 882.3483 NA PeJP NA NA +PJ064890 SSSSNDMR C31H54N12O16S 882.3502 NA PeJP NA NA +PJ064891 GSSSSSWW C39H50N10O14 882.3508 NA PeJP NA NA +PJ064892 GGGGGGPDFY C39H50N10O14 882.3509 NA PeJP NA NA +PJ064893 SNNMMMR C32H58N12O11S3 882.351 NA PeJP NA NA +PJ064894 GGSNMMMR C32H58N12O11S3 882.3511 NA PeJP NA NA +PJ064895 GTCCKWW C40H54N10O9S2 882.3517 NA PeJP NA NA +PJ064896 GSSSTQMW C36H54N10O14S 882.3542 NA PeJP NA NA +PJ064897 NNFYYY C44H50N8O12 882.3548 NA PeJP NA NA +PJ064898 AEEYWW C44H50N8O12 882.3549 NA PeJP NA NA +PJ064899 EMMMRW C37H58N10O9S3 882.3551 NA PeJP NA NA +PJ064900 GSSSSSDKE C32H54N10O19 882.3567 NA PeJP NA NA +PJ064901 STEEMMR C33H58N10O14S2 882.3576 NA PeJP NA NA +PJ064902 SSSSNQHH C33H50N14O15 882.358 NA PeJP NA NA +PJ064903 GGGGSSSTHH C33H50N14O15 882.3581 NA PeJP NA NA +PJ064904 GPTEMYW C41H54N8O12S 882.3582 NA PeJP NA NA +PJ064905 SPMMMMR C34H62N10O9S4 882.3584 NA PeJP NA NA +PJ064906 APCCCKKM C34H62N10O9S4 882.3585 NA PeJP NA NA +PJ064907 GDMMHHR C34H54N14O10S2 882.3589 NA PeJP NA NA +PJ064908 VMMMWW C42H58N8O7S3 882.3591 NA PeJP NA NA +PJ064909 SMHHWW C42H50N12O8S 882.3596 NA PeJP NA NA +PJ064910 GKEEEEY C37H54N8O17 882.3607 NA PeJP NA NA +PJ064911 SSLEMMW C38H58N8O12S2 882.3616 NA PeJP NA NA +PJ064912 SSTEHHW C38H50N12O13 882.3621 NA PeJP NA NA +PJ064913 PMFYYY C46H54N6O10S 882.3622 NA PeJP NA NA +PJ064914 SCCQMRR C31H58N14O10S3 882.3623 NA PeJP NA NA +PJ064915 AAMMHHW C39H54N12O8S2 882.3629 NA PeJP NA NA +PJ064916 SSSTLEEM C34H58N8O17S 882.3641 NA PeJP NA NA +PJ064917 VDKEMMM C35H62N8O12S3 882.365 NA PeJP NA NA +PJ064918 GSSSTCRW C35H54N12O13S 882.3654 NA PeJP NA NA +PJ064919 GGGGGEMRY C35H54N12O13S 882.3655 NA PeJP NA NA +PJ064920 LMMYYY C43H58N6O10S2 882.3656 NA PeJP NA NA +PJ064921 SNQYWW C43H50N10O11 882.3661 NA PeJP NA NA +PJ064922 GCCKMRW C36H58N12O8S3 882.3663 NA PeJP NA NA +PJ064923 GQMHHHH C36H50N16O9S 882.3668 NA PeJP NA NA +PJ064924 GSSSSSSER C31H54N12O18 882.3679 NA PeJP NA NA +PJ064925 GSSSQMMR C32H58N12O13S2 882.3688 NA PeJP NA NA +PJ064926 NNNNDHR C32H50N16O14 882.3693 NA PeJP NA NA +PJ064927 QQQMYW C40H54N10O11S 882.3694 NA PeJP NA NA +PJ064928 SSSCKWW C40H54N10O11S 882.3695 NA PeJP NA NA +PJ064929 SSSSTTQW C36H54N10O16 882.3719 NA PeJP NA NA +PJ064930 SSSSSDKW C36H54N10O16 882.372 NA PeJP NA NA +PJ064931 SSNKMMW C37H58N10O11S2 882.3728 NA PeJP NA NA +PJ064932 GGGGGGLMMF C37H58N10O11S2 882.3729 NA PeJP NA NA +PJ064933 GNNQQHW C37H50N14O12 882.3733 NA PeJP NA NA +PJ064934 PTMYWW C45H54N8O9S 882.3735 NA PeJP NA NA +PJ064935 SSSSQKEM C33H58N10O16S 882.3753 NA PeJP NA NA +PJ064936 KEEEYW C41H54N8O14 882.376 NA PeJP NA NA +PJ064937 SVEMMMR C34H62N10O11S3 882.3762 NA PeJP NA NA +PJ064938 GCNDRRY C34H54N14O12S 882.3767 NA PeJP NA NA +PJ064939 APCLMYW C42H58N8O9S2 882.3768 NA PeJP NA NA +PJ064940 GPVMMYW C42H58N8O9S2 882.3769 NA PeJP NA NA +PJ064941 GSPNHWW C42H50N12O10 882.3773 NA PeJP NA NA +PJ064942 GCHHHHR C35H50N18O8S 882.378 NA PeJP NA NA +PJ064943 SSPPTTMY C38H58N8O14S 882.3793 NA PeJP NA NA +PJ064944 SPKEEMY C38H58N8O14S 882.3794 NA PeJP NA NA +PJ064945 VEFYYY C46H54N6O12 882.38 NA PeJP NA NA +PJ064946 ATLMMMW C39H62N8O9S3 882.3802 NA PeJP NA NA +PJ064947 NNMRYW C39H54N12O10S 882.3807 NA PeJP NA NA +PJ064948 TTTTTTEE C34H58N8O19 882.3818 NA PeJP NA NA +PJ064949 GTTTLEMM C35H62N8O14S2 882.3827 NA PeJP NA NA +PJ064950 SSSSSSRW C35H54N12O15 882.3832 NA PeJP NA NA +PJ064951 VLQMMMM C36H66N8O9S4 882.3836 NA PeJP NA NA +PJ064952 STCCKRW C36H58N12O10S2 882.3841 NA PeJP NA NA +PJ064953 STQHHHH C36H50N16O11 882.3845 NA PeJP NA NA +PJ064954 GGGGPQHHH C36H50N16O11 882.3846 NA PeJP NA NA +PJ064955 CNKFWW C44H54N10O8S 882.3847 NA PeJP NA NA +PJ064956 SSSSTQMR C32H58N12O15S 882.3866 NA PeJP NA NA +PJ064957 TEERYW C40H54N10O13 882.3872 NA PeJP NA NA +PJ064958 SCQKMMR C33H62N12O10S3 882.3874 NA PeJP NA NA +PJ064959 GGGCCCKKK C33H62N12O10S3 882.3875 NA PeJP NA NA +PJ064960 PMMRYW C41H58N10O8S2 882.3881 NA PeJP NA NA +PJ064961 GSSSTKMW C37H58N10O13S 882.3906 NA PeJP NA NA +PJ064962 SLEYWW C45H54N8O11 882.3912 NA PeJP NA NA +MJ096821 Ostreogrycin B; 2-Hydroxy C45H54N8O11 882.391204 NA MeJP NA NA +PJ064963 GGPPDFFF C45H54N8O11 882.3913 NA PeJP NA NA +PJ064964 GCKKMMW C38H62N10O8S3 882.3915 NA PeJP NA NA +PJ064965 GPCQHRW C38H54N14O9S 882.3919 NA PeJP NA NA +PJ064966 AHHFWW C46H50N12O7 882.3926 NA PeJP NA NA +PJ064967 GSSSSTTKE C33H58N10O18 882.3931 NA PeJP NA NA +PJ064968 VTTTCCQK C34H62N10O13S2 882.3939 NA PeJP NA NA +PJ064969 GSSDKKMM C34H62N10O13S2 882.394 NA PeJP NA NA +PJ064970 GQQEEHR C34H54N14O14 882.3944 NA PeJP NA NA +PJ064971 GGGAAEEHR C34H54N14O14 882.3945 NA PeJP NA NA +PJ064972 AALEMYW C42H58N8O11S 882.3946 NA PeJP NA NA +PJ064973 ALMMMMR C35H66N10O8S4 882.3948 NA PeJP NA NA +PJ064974 PFFFYY C50H54N6O9 882.3953 NA PeJP NA NA +PJ064975 SVKEEEY C38H58N8O16 882.3971 NA PeJP NA NA +PJ064976 SSSSTCRR C31H58N14O14S 882.3978 NA PeJP NA NA +PJ064977 TTTLMMW C39H62N8O11S2 882.398 NA PeJP NA NA +PJ064978 GSSQRYW C39H54N12O12 882.3984 NA PeJP NA NA +PJ064979 GGGSTRYW C39H54N12O12 882.3985 NA PeJP NA NA +PJ064980 LMFFYY C47H58N6O9S 882.3986 NA PeJP NA NA +PJ064981 SCCKMRR C32H62N14O9S3 882.3987 NA PeJP NA NA +PJ064982 STTTTLEM C35H62N8O16S 882.4005 NA PeJP NA NA +PJ064983 TLKEMMM C36H66N8O11S3 882.4013 NA PeJP NA NA +PJ064984 GSTLLMMM C36H66N8O11S3 882.4014 NA PeJP NA NA +PJ064985 EEMRRY C36H58N12O12S 882.4018 NA PeJP NA NA +PJ064986 GGGGGGPPPCK C36H58N12O12S 882.4019 NA PeJP NA NA +PJ064987 SNKYWW C44H54N10O10 882.4025 NA PeJP NA NA +PJ064988 PPCHHHR C37H54N16O8S 882.4032 NA PeJP NA NA +PJ064989 GSSSSTTTR C32H58N12O17 882.4043 NA PeJP NA NA +PJ064990 GSSSKMMR C33H62N12O12S2 882.4052 NA PeJP NA NA +PJ064991 GNDEHRR C33H54N16O13 882.4057 NA PeJP NA NA +PJ064992 VEMRYW C41H58N10O10S 882.4058 NA PeJP NA NA +PJ064993 GGAAKMYW C41H58N10O10S 882.4059 NA PeJP NA NA +PJ064994 PTFFWW C49H54N8O8 882.4065 NA PeJP NA NA +PJ064995 SSSSTTKW C37H58N10O15 882.4083 NA PeJP NA NA +PJ064996 GGSDKKEY C37H58N10O15 882.4084 NA PeJP NA NA +PJ064997 STCKKMW C38H62N10O10S2 882.4092 NA PeJP NA NA +PJ064998 QQEHRW C38H54N14O11 882.4097 NA PeJP NA NA +PJ064999 VVMYWW C46H58N8O8S 882.4099 NA PeJP NA NA +PJ065000 SSSSKKEM C34H62N10O15S 882.4117 NA PeJP NA NA +PJ065001 ATTLEYW C42H58N8O13 882.4124 NA PeJP NA NA +PJ065002 TTLMMMR C35H66N10O10S3 882.4126 NA PeJP NA NA +PJ065003 ASCQRRY C35H58N14O11S 882.413 NA PeJP NA NA +PJ065004 GSNMRRY C35H58N14O11S 882.4131 NA PeJP NA NA +PJ065005 GVLMMFW C43H62N8O8S2 882.4132 NA PeJP NA NA +PJ065006 VQQHWW C43H54N12O9 882.4137 NA PeJP NA NA +PJ065007 ALKEEMY C39H62N8O13S 882.4157 NA PeJP NA NA +PJ065008 APPPLEEM C39H62N8O13S 882.4158 NA PeJP NA NA +PJ065009 VLYYYY C47H58N6O11 882.4164 NA PeJP NA NA +PJ065010 PVKMMMF C40H66N8O8S3 882.4166 NA PeJP NA NA +PJ065011 CQKRYW C40H58N12O9S 882.4171 NA PeJP NA NA +PJ065012 SSTTLLMM C36H66N8O13S2 882.4191 NA PeJP NA NA +PJ065013 SSNKERY C36H58N12O14 882.4196 NA PeJP NA NA +PJ065014 VLKMMMM C37H70N8O8S4 882.42 NA PeJP NA NA +PJ065015 ACQKMFR C37H62N12O9S2 882.4204 NA PeJP NA NA +PJ065016 GNKMMFR C37H62N12O9S2 882.4205 NA PeJP NA NA +PJ065017 NDHRRW C37H54N16O10 882.4209 NA PeJP NA NA +PJ065018 PMFFRW C45H58N10O7S 882.4211 NA PeJP NA NA +PJ065019 SSSSTKMR C33H62N12O14S 882.4229 NA PeJP NA NA +PJ065020 GSDKKYW C41H58N10O12 882.4236 NA PeJP NA NA +PJ065021 SCKKMMR C34H66N12O9S3 882.4238 NA PeJP NA NA +PJ065022 SPCQHRR C34H58N16O10S 882.4243 NA PeJP NA NA +PJ065023 LMMFRW C42H62N10O7S2 882.4245 NA PeJP NA NA +PJ065024 AQHRWW C42H54N14O8 882.4249 NA PeJP NA NA +PJ065025 GAAHRWW C42H54N14O8 882.425 NA PeJP NA NA +PJ065026 ATLEMRY C38H62N10O12S 882.427 NA PeJP NA NA +PJ065027 AAPLYYW C46H58N8O10 882.4276 NA PeJP NA NA +PJ065028 GPCKHRW C39H58N14O8S 882.4283 NA PeJP NA NA +PJ065029 SSSSSSTLK C34H62N10O17 882.4295 NA PeJP NA NA +PJ065030 GSTTKKMM C35H66N10O12S2 882.4303 NA PeJP NA NA +PJ065031 SSSQRRY C35H58N14O13 882.4308 NA PeJP NA NA +PJ065032 GTLLMYW C43H62N8O10S 882.431 NA PeJP NA NA +PJ065033 LFFFFY C51H58N6O8 882.4316 NA PeJP NA NA +PJ065034 ACCKFRR C36H62N14O8S2 882.4317 NA PeJP NA NA +PJ065035 TTLKEEY C39H62N8O15 882.4335 NA PeJP NA NA +PJ065036 PTLKMMY C40H66N8O10S2 882.4344 NA PeJP NA NA +PJ065037 GSSKRYW C40H58N12O11 882.4348 NA PeJP NA NA +PJ065038 GAAPPERW C40H58N12O11 882.4349 NA PeJP NA NA +PJ065039 GTQKMRY C37H62N12O11S 882.4382 NA PeJP NA NA +PJ065040 LLEHWW C45H58N10O9 882.4389 NA PeJP NA NA +PJ065041 MHHFRR C38H58N16O7S 882.4396 NA PeJP NA NA +PJ065042 GTQEHRR C34H58N16O12 882.442 NA PeJP NA NA +PJ065043 ASQEHRR C34H58N16O12 882.4421 NA PeJP NA NA +PJ065044 QKKMYW C42H62N10O9S 882.4422 NA PeJP NA NA +PJ065045 VVFFWW C50H58N8O7 882.4429 NA PeJP NA NA +PJ065046 TTTLERY C38H62N10O14 882.4447 NA PeJP NA NA +PJ065047 GGGGSPPLLE C38H62N10O14 882.4448 NA PeJP NA NA +PJ065048 GLLMMRY C39H66N10O9S2 882.4456 NA PeJP NA NA +PJ065049 GPPDRRW C39H58N14O10 882.4461 NA PeJP NA NA +PJ065050 SSTTTKKM C35H66N10O14S 882.4481 NA PeJP NA NA +PJ065051 STTLLYW C43H62N8O12 882.4487 NA PeJP NA NA +PJ065052 PPLLEEW C43H62N8O12 882.4488 NA PeJP NA NA +7430 coeliac toxic peptide QQPPFSQQQQLVLPQ 882.449 MH2+ Inhouse_peptide NA peptide +PJ065053 SKKKMMM C36H70N10O9S3 882.449 NA PeJP NA NA +PJ065054 GTCKRRY C36H62N14O10S 882.4494 NA PeJP NA NA +PJ065055 GPPPTCRR C36H62N14O10S 882.4495 NA PeJP NA NA +PJ065056 AAPPRWW C44H58N12O8 882.4501 NA PeJP NA NA +PJ065057 SLLKEMY C40H66N8O12S 882.4521 NA PeJP NA NA +PJ065058 GSDHRRR C33H58N18O11 882.4533 NA PeJP NA NA +PJ065059 CKKRYW C41H62N12O8S 882.4535 NA PeJP NA NA +PJ065060 SSDKKRY C37H62N12O13 882.456 NA PeJP NA NA +PJ065061 ACKKMFR C38H66N12O8S2 882.4568 NA PeJP NA NA +PJ065062 TQHRRW C38H58N16O9 882.4573 NA PeJP NA NA +PJ065063 GTTKKYW C42H62N10O11 882.46 NA PeJP NA NA +PJ065064 GVQMHRR C35H62N16O9S 882.4607 NA PeJP NA NA +MJ096822 3,23-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] C45H70O17 882.4613 NA MeJP NA NA +MJ096823 Spirost-5-ene-3,27-diol, 27-(3-Hydroxy-3-methylglutaroyl), 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C45H70O17 882.4613 NA MeJP NA NA +PJ065065 AKHRWW C43H58N14O7 882.4613 NA PeJP NA NA +PJ065066 STLLMRY C39H66N10O11S 882.4633 NA PeJP NA NA +PJ065067 VTTLMRY C39H66N10O11S 882.4634 NA PeJP NA NA +PJ065068 AALLFYW C47H62N8O9 882.464 NA PeJP NA NA +PJ065069 SSSKRRY C36H62N14O12 882.4672 NA PeJP NA NA +PJ065070 PVVKMFY C44H66N8O9S 882.4674 NA PeJP NA NA +PJ065071 SSSTLLLY C40H66N8O14 882.4699 NA PeJP NA NA +PJ065072 VVLKMMY C41H70N8O9S2 882.4708 NA PeJP NA NA +PJ065073 APPKERW C41H62N12O10 882.4712 NA PeJP NA NA +PJ065074 QMHRRR C34H62N18O8S 882.4719 NA PeJP NA NA +PJ065075 GTKKMRY C38H66N12O10S 882.4746 NA PeJP NA NA +PJ065076 APPVKWW C46H62N10O8 882.4752 NA PeJP NA NA +PJ065077 GPPLKWW C46H62N10O8 882.4753 NA PeJP NA NA +PJ065078 SPPDRRR C35H62N16O11 882.4784 NA PeJP NA NA +PJ065079 GGGGPVQRR C35H62N16O11 882.4785 NA PeJP NA NA +PJ065080 KKKMYW C43H66N10O8S 882.4786 NA PeJP NA NA +PJ065081 STKKKEY C39H66N10O13 882.4811 NA PeJP NA NA +PJ065082 AKKKMMF C40H70N10O8S2 882.482 NA PeJP NA NA +PJ065083 APPTRRW C40H62N14O9 882.4825 NA PeJP NA NA +PJ065084 CHRRRR C33H62N20O7S 882.4832 NA PeJP NA NA +PJ065085 SPLLKYY C44H66N8O11 882.4851 NA PeJP NA NA +PJ065086 PPPVVVEF C44H66N8O11 882.4852 NA PeJP NA NA +PJ065087 PPVQMRR C37H66N14O9S 882.4858 NA PeJP NA NA +PJ065088 VKKHWW C45H62N12O7 882.4865 NA PeJP NA NA +PJ065089 APPLLLEM C41H70N8O11S 882.4885 NA PeJP NA NA +PJ065090 GTTHRRR C34H62N18O10 882.4897 NA PeJP NA NA +PJ065091 STTKKRY C38H66N12O12 882.4923 NA PeJP NA NA +PJ065092 PPKKEER C38H66N12O12 882.4924 NA PeJP NA NA +PJ065093 TKHRRW C39H62N16O8 882.4937 NA PeJP NA NA +7705 pyrokinin TENMO-PK-2 SPPFAPRL~ 882.494 antioxidative Inhouse_peptide NA peptide +PJ065094 TTLLLHW C43H66N10O10 882.4964 NA PeJP NA NA +PJ065095 APPMRRR C36H66N16O8S 882.4971 NA PeJP NA NA +MJ096824 3-Hydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-xylopyranosyl-(1?2)]-?-L-arabinopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096825 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Ribopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096826 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?3)-?-L-rhamnopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096827 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-L-arabinopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096828 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-xylopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096829 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096830 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-D-xylopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096831 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-L-arabinopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096832 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096833 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?3)-?-L-rhamnopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096834 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096835 Jujubogenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096836 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-L-arabinopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096837 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-xylopyranosyl-(1?2)]-?-L-arabinopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096838 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096839 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?4)-?-L-arabinopyranosyl-(1?3)-?-D-glucopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096840 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?4)-?-D-glucopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096841 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C46H74O16 882.497686 NA MeJP NA NA +MJ096842 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-arabinopyranoside], 28-O-?-D-xylopyranosyl ester C46H74O16 882.497686 NA MeJP NA NA +PJ065096 SVKKKMY C40H70N10O10S 882.4997 NA PeJP NA NA +PJ065097 LLLKEMH C40H70N10O10S 882.4998 NA PeJP NA NA +MJ096843 Silenin B C48H66N8O8 882.500361 NA MeJP NA NA +PJ065098 PVVKFFF C48H66N8O8 882.5004 NA PeJP NA NA +MJ096844 Spirodihydrobenzofuranlactam VI C52H70N2O10 882.503046 NA MeJP NA NA +MJ096845 Stachybocin A C52H70N2O10 882.503046 NA MeJP NA NA +PJ065099 PPTKERR C37H66N14O11 882.5036 NA PeJP NA NA +PJ065100 VVLKMFF C45H70N8O8S 882.5038 NA PeJP NA NA +PJ065101 GPLLLLEE C41H70N8O13 882.5063 NA PeJP NA NA +PJ065102 SPPLKRW C42H66N12O9 882.5076 NA PeJP NA NA +PJ065103 KMHRRR C35H66N18O7S 882.5083 NA PeJP NA NA +PJ065104 TLLLMHR C39H70N12O9S 882.511 NA PeJP NA NA +PJ065105 KKKFFW C47H66N10O7 882.5116 NA PeJP NA NA +PJ065106 GPLERRR C36H66N16O10 882.5148 NA PeJP NA NA +PJ065107 SSTLLLLH C40H70N10O12 882.5175 NA PeJP NA NA +PJ065108 APKKHFR C41H66N14O8 882.5188 NA PeJP NA NA +PJ065109 GPVLRRW C41H66N14O8 882.5189 NA PeJP NA NA +PJ065110 PLLLLEW C45H70N8O10 882.5215 NA PeJP NA NA +PJ065111 PPVKMRR C38H70N14O8S 882.5222 NA PeJP NA NA +PJ065112 SPPLLLLM C42H74N8O10S 882.5249 NA PeJP NA NA +PJ065113 GPNKRRR C35H66N18O9 882.5261 NA PeJP NA NA +PJ065114 PLLQKER C39H70N12O11 882.5287 NA PeJP NA NA +PJ065115 GAPLLKER C39H70N12O11 882.5288 NA PeJP NA NA +PJ065116 PLRRRW C40H66N16O7 882.5301 NA PeJP NA NA +PJ065117 PVLLQKW C44H70N10O9 882.5328 NA PeJP NA NA +PJ065118 GPPLLKKM C41H74N10O9S 882.5361 NA PeJP NA NA +PJ065119 PVVKERR C38H70N14O10 882.54 NA PeJP NA NA +PJ065120 SPVLLLLE C42H74N8O12 882.5427 NA PeJP NA NA +PJ065121 APLLKRW C43H70N12O8 882.544 NA PeJP NA NA +PJ065122 VLKKKMH C40H74N12O8S 882.5474 NA PeJP NA NA +PJ065123 SPVLRRR C37H70N16O9 882.5512 NA PeJP NA NA +MJ096846 4,4-Dimethyl-24,28-epoxyergosta-8,14-diene-2,3,11,12,25-pentol, 14,15-Dihydro, 2-O-(16-hydroxyhexadecanoyl), 12-Ac, 3-O-sulfate C48H82O12S 882.552698 NA MeJP NA NA +MJ096847 Antibiotic KT 6291; Antibiotic KT 6291A C41H74N10O11 882.553853 NA MeJP NA NA +MJ096848 Antibiotic LI-F; Antibiotic LI-F04A C41H74N10O11 882.553853 NA MeJP NA NA +MJ096849 Rubellidin 4.2 C41H74N10O11 882.553853 NA MeJP NA NA +PJ065124 GPVLLKKE C41H74N10O11 882.5539 NA PeJP NA NA +PJ065125 APPLLLLF C46H74N8O9 882.5579 NA PeJP NA NA +PJ065126 APLLLLLM C43H78N8O9S 882.5613 NA PeJP NA NA +PJ065127 PLLKKER C40H74N12O10 882.5651 NA PeJP NA NA +PJ065128 PVLLKKW C45H74N10O8 882.5692 NA PeJP NA NA +PJ065129 PTLLKRR C39H74N14O9 882.5764 NA PeJP NA NA +PJ065130 VVVVLLLE C43H78N8O11 882.579 NA PeJP NA NA +PJ065131 GLLLLLLE C43H78N8O11 882.5791 NA PeJP NA NA +PJ065132 GLLLRRR C38H74N16O8 882.5876 NA PeJP NA NA +PJ065133 APTLLLKK C42H78N10O10 882.5903 NA PeJP NA NA +PJ065134 LLLLLLW C47H78N8O8 882.5943 NA PeJP NA NA +PJ065135 LLLLQKR C41H78N12O9 882.6015 NA PeJP NA NA +PJ065136 VVLLKRR C40H78N14O8 882.6127 NA PeJP NA NA +PJ065137 SVLLLLLL C44H82N8O10 882.6154 NA PeJP NA NA +PJ065138 GVLLLLKK C43H82N10O9 882.6267 NA PeJP NA NA +C15952 Thermocryptoxanthin-11 C57H86O7 882.6374 NA KEGG NA NA +PJ065139 LLLLKKR C42H82N12O8 882.6379 NA PeJP NA NA +MJ096850 13-Hydroxyingenol; 3-O-(2,3-Dimethylbutanoyl), 13-O-dodecanoyl, 20-O-hexadecanoyl C54H90O9 882.658484 NA MeJP NA NA +MJ096851 3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,34-hexatriacontatetraene-1,15,19,23,27,31-hexol; 1-O-?-Glucopyranoside C51H94O11 882.679613 NA MeJP NA NA +HMDB05370 TG(16:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] C57H102O6 882.767639 NA HMDB2010 NA NA +HMDB05411 TG(18:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C57H102O6 882.767639 NA HMDB2010 NA NA +HMDB05445 TG(16:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6] C57H102O6 882.767639 NA HMDB2010 NA NA +HMDB05455 TG(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso3] C57H102O6 882.767639 NA HMDB2010 NA NA +HMDB10456 TG(18:1(9Z)/18:0/18:3(9Z,12Z,15Z))[iso6] C57H102O6 882.767639 NA HMDB2010 NA NA +HMDB10458 TG(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z))[iso6] C57H102O6 882.767639 NA HMDB2010 NA NA +HMDB10474 TG(18:2(9Z,12Z)/16:0/20:2(11Z,14Z))[iso6] C57H102O6 882.767639 NA HMDB2010 NA NA +HMDB05370 TG(16:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] C57H102O6 882.76764 http://www.hmdb.ca/metabolites/HMDB05370 HMDB NA NA +HMDB05411 TG(18:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C57H102O6 882.76764 http://www.hmdb.ca/metabolites/HMDB05411 HMDB NA NA +HMDB05445 TG(16:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6] C57H102O6 882.76764 http://www.hmdb.ca/metabolites/HMDB05445 HMDB NA NA +HMDB05455 TG(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso3] C57H102O6 882.76764 http://www.hmdb.ca/metabolites/HMDB05455 HMDB NA NA +HMDB05370 TG(16:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] C57H102O6 882.76764 HMDB05370 PFEM_hmdb_metabocards_official NA NA +HMDB05411 TG(18:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] C57H102O6 882.76764 HMDB05411 PFEM_hmdb_metabocards_official NA NA +HMDB05445 TG(16:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6] C57H102O6 882.76764 HMDB05445 PFEM_hmdb_metabocards_official NA NA +HMDB05455 TG(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso3] C57H102O6 882.76764 HMDB05455 PFEM_hmdb_metabocards_official NA NA +HMDB01021 Malyl-CoA C25H40N7O20P3S 883.12616 http://www.hmdb.ca/metabolites/HMDB01021 HMDB NA NA +HMDB01021 Malyl-CoA C25H40N7O20P3S 883.12616 HMDB01021 PFEM_hmdb_metabocards_official NA NA +HMDB01021 Malyl-CoA C25H40N7O20P3S 883.12616 NA HMDB2010 NA NA +MJ096852 (3S)-3-Carboxy-3-hydroxypropanoyl-CoA C25H40N7O20P3S 883.126167 NA MeJP NA NA +MetaCyc04238 malyl-CoA [(3S)-3-Carboxy-3-hydroxypropionyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;] C25H40N7O20P3S1 883.126167 NA metacyc NA NA +C04348 (3S)-3-Carboxy-3-hydroxypropanoyl-CoA C25H40N7O20P3S 883.1262 NA KEGG NA NA +PJ065140 GSCCCCCCC C26H45N9O11S7 883.1284 NA PeJP NA NA +PJ065141 SCCCCNDH C29H45N11O13S4 883.2082 NA PeJP NA NA +PJ065142 PCCCNDDD C30H45N9O16S3 883.2147 NA PeJP NA NA +PJ065143 CCCDDYY C35H45N7O14S3 883.2187 NA PeJP NA NA +PJ065144 CCCMMMY C33H53N7O9S6 883.2229 NA PeJP NA NA +PJ065145 GCCCCQMH C30H49N11O10S5 883.2268 NA PeJP NA NA +PJ065146 GCNDDDDM C30H45N9O18S2 883.2324 NA PeJP NA NA +PJ065147 GGGCDDDDM C30H45N9O18S2 883.2325 NA PeJP NA NA +PJ065148 GSPPCCCCD C31H49N9O13S4 883.2333 NA PeJP NA NA +PJ065149 CCCDMFY C36H49N7O11S4 883.2373 NA PeJP NA NA +PJ065150 GCCCCCHR C29H49N13O9S5 883.238 NA PeJP NA NA +PJ065151 SCCNNNDD C29H45N11O17S2 883.2437 NA PeJP NA NA +PJ065152 SSCCCNMH C30H49N11O12S4 883.2445 NA PeJP NA NA +PJ065153 GGGGPCCCCQ C30H49N11O12S4 883.2446 NA PeJP NA NA +PJ065154 CCNDDEW C34H45N9O15S2 883.2477 NA PeJP NA NA +PJ065155 SSCNDDDE C30H45N9O20S 883.2502 NA PeJP NA NA +PJ065156 SPCCNDDM C31H49N9O15S3 883.2511 NA PeJP NA NA +PJ065157 CCEMMMH C32H53N9O10S5 883.2519 NA PeJP NA NA +PJ065158 SCCDMYY C36H49N7O13S3 883.2551 NA PeJP NA NA +PJ065159 CCCMMFF C37H53N7O8S5 883.256 NA PeJP NA NA +PJ065160 DDDEEMM C32H49N7O18S2 883.2576 NA PeJP NA NA +PJ065161 GSSSTCCCH C30H49N11O14S3 883.2623 NA PeJP NA NA +PJ065162 GCCDDWW C38H45N9O12S2 883.263 NA PeJP NA NA +PJ065163 PPCCCCCR C31H53N11O9S5 883.2632 NA PeJP NA NA +PJ065164 GSSCDDDW C34H45N9O17S 883.2655 NA PeJP NA NA +PJ065165 GSPCCCEW C35H49N9O12S3 883.2663 NA PeJP NA NA +PJ065166 GSSSSDDDD C30H45N9O22 883.268 NA PeJP NA NA +PJ065167 GSNDDDMM C31H49N9O17S2 883.2688 NA PeJP NA NA +PJ065168 GPCCNEMM C32H53N9O12S4 883.2697 NA PeJP NA NA +PJ065169 CCCDFFF C40H49N7O10S3 883.2703 NA PeJP NA NA +PJ065170 DDDDEEF C35H45N7O20 883.272 NA PeJP NA NA +PJ065171 GCCCNNDR C29H49N13O13S3 883.2735 NA PeJP NA NA +PJ065172 GGGGGCCCDR C29H49N13O13S3 883.2736 NA PeJP NA NA +PJ065173 ACCMMYY C37H53N7O10S4 883.2737 NA PeJP NA NA +PJ065174 DDDDMHH C33H45N11O16S 883.2767 NA PeJP NA NA +PJ065175 CCNNNMW C34H49N11O11S3 883.2775 NA PeJP NA NA +PJ065176 GGCCNNMW C34H49N11O11S3 883.2776 NA PeJP NA NA +PJ065177 SSSSSSCCH C30H49N11O16S2 883.28 NA PeJP NA NA +PJ065178 GSCCDDER C30H49N11O16S2 883.2801 NA PeJP NA NA +PJ065179 GPCCCDMR C31H53N11O11S4 883.2809 NA PeJP NA NA +PJ065180 SPCCCWW C39H49N9O9S3 883.2816 NA PeJP NA NA +PJ065181 NNDDDEY C34H45N9O19 883.2832 NA PeJP NA NA +PJ065182 SCNDEMW C35H49N9O14S2 883.2841 NA PeJP NA NA +PJ065183 PCCNMMW C36H53N9O9S4 883.2849 NA PeJP NA NA +PJ065184 GGPCCMMW C36H53N9O9S4 883.285 NA PeJP NA NA +PJ065185 SSSNDDEM C31H49N9O19S 883.2866 NA PeJP NA NA +PJ065186 NNDEMMM C32H53N9O14S3 883.2874 NA PeJP NA NA +PJ065187 GGNDEMMM C32H53N9O14S3 883.2875 NA PeJP NA NA +PJ065188 GSCNDDHH C32H45N13O15S 883.2879 NA PeJP NA NA +PJ065189 GCCEFYY C40H49N7O12S2 883.2881 NA PeJP NA NA +PJ065190 TCMMMMH C33H57N9O9S5 883.2883 NA PeJP NA NA +PJ065191 GPCCCQHH C33H49N13O10S3 883.2888 NA PeJP NA NA +MJ096853 Perdeacylhypoglaunine; 1-Benzoyl, 2,6,8,9,14-penta-Ac C43H49NO19 883.289878 NA MeJP NA NA +MJ096854 Perdeacylhypoglaunine; 2-Benzoyl, 1,6,8,9,14-penta-Ac C43H49NO19 883.289878 NA MeJP NA NA +MJ096855 Perdeacylisowilfordine; 2-Benzoyl, 1,6,8,9,14-penta-Ac C43H49NO19 883.289878 NA MeJP NA NA +MJ096856 Perdeacylwilfortrine; 2-Benzoyl, 1,6,8,9,14-penta-Ac C43H49NO19 883.289878 NA MeJP NA NA +MJ096857 Perdeacylwilfortrine; 26-Benzoyl, 1,2,8,9,14-penta-Ac C43H49NO19 883.289878 NA MeJP NA NA +C09992 Wilfordine C43H49NO19 883.2899 NA KEGG NA NA +PJ065192 PDDDEMY C36H49N7O17S 883.2906 NA PeJP NA NA +PJ065193 SSCMMYY C37H53N7O12S3 883.2915 NA PeJP NA NA +PJ065194 SEEEEMM C33H53N7O17S2 883.294 NA PeJP NA NA +PJ065195 GPNDDDDH C33H45N11O18 883.2945 NA PeJP NA NA +PJ065196 PDEMMMM C34H57N7O12S4 883.2948 NA PeJP NA NA +PJ065197 SCCDDRW C34H49N11O13S2 883.2953 NA PeJP NA NA +PJ065198 SSSCDDDR C30H49N11O18S 883.2978 NA PeJP NA NA +PJ065199 GNDDDYW C38H45N9O16 883.2985 NA PeJP NA NA +PJ065200 CNDDMMR C31H53N11O13S3 883.2987 NA PeJP NA NA +PJ065201 GSCDMWW C39H49N9O11S2 883.2993 NA PeJP NA NA +PJ065202 GSSSDDMW C35H49N9O16S 883.3018 NA PeJP NA NA +PJ065203 GGGGDDEMF C35H49N9O16S 883.3019 NA PeJP NA NA +PJ065204 GNDMMMW C36H53N9O11S3 883.3027 NA PeJP NA NA +PJ065205 CCFYYW C44H49N7O9S2 883.3033 NA PeJP NA NA +PJ065206 GSSSSSDEE C31H49N9O21 883.3043 NA PeJP NA NA +PJ065207 GSSNEEMM C32H53N9O16S2 883.3052 NA PeJP NA NA +PJ065208 GSCEYYY C40H49N7O14S 883.3058 NA PeJP NA NA +PJ065209 GSPCQMMM C33H57N9O11S4 883.3061 NA PeJP NA NA +PJ065210 CNNEMHH C33H49N13O12S2 883.3065 NA PeJP NA NA +PJ065211 GGCNEMHH C33H49N13O12S2 883.3066 NA PeJP NA NA +PJ065212 ACCMFFY C41H53N7O9S3 883.3067 NA PeJP NA NA +PJ065213 GEEEEEY C36H49N7O19 883.3084 NA PeJP NA NA +PJ065214 PDDEMMF C37H53N7O14S2 883.3092 NA PeJP NA NA +PJ065215 CCCDERR C30H53N13O12S3 883.3099 NA PeJP NA NA +PJ065216 CCNNHFF C38H49N11O10S2 883.3106 NA PeJP NA NA +PJ065217 VDEEMMM C34H57N7O14S3 883.3126 NA PeJP NA NA +PJ065218 SSSSCNNW C34H49N11O15S 883.3131 NA PeJP NA NA +PJ065219 GCCEMRW C35H53N11O10S3 883.3139 NA PeJP NA NA +PJ065220 GGGACCCKW C35H53N11O10S3 883.314 NA PeJP NA NA +PJ065221 TCCWWW C43H49N9O8S2 883.3146 NA PeJP NA NA +PJ065222 SSSSSSNND C30H49N11O20 883.3156 NA PeJP NA NA +PJ065223 GSSCDEMR C31H53N11O15S2 883.3164 NA PeJP NA NA +PJ065224 GGGGGGSSSMM C31H53N11O15S2 883.3165 NA PeJP NA NA +PJ065225 SSSCEWW C39H49N9O13S 883.3171 NA PeJP NA NA +PJ065226 GSPCCMMR C32H57N11O10S4 883.3173 NA PeJP NA NA +PJ065227 CCNDHHR C32H49N15O11S2 883.3178 NA PeJP NA NA +PJ065228 CQMMWW C40H53N9O8S3 883.318 NA PeJP NA NA +PJ065229 SSSSSDEW C35H49N9O18 883.3196 NA PeJP NA NA +PJ065230 SSNEMMW C36H53N9O13S2 883.3205 NA PeJP NA NA +PJ065231 SCYYYW C44H49N7O11S 883.3211 NA PeJP NA NA +PJ065232 GMMMMHF C37H57N9O8S4 883.3213 NA PeJP NA NA +PJ065233 GCNMHHW C37H49N13O9S2 883.3218 NA PeJP NA NA +PJ065234 SSSSSSPDM C32H53N9O18S 883.3229 NA PeJP NA NA +PJ065235 SSSSQEEM C32H53N9O18S 883.323 NA PeJP NA NA +PJ065236 EEEEYW C40H49N7O16 883.3236 NA PeJP NA NA +PJ065237 SQQEMMM C33H57N9O13S3 883.3238 NA PeJP NA NA +PJ065238 GSSNDMHH C33H49N13O14S 883.3243 NA PeJP NA NA +PJ065239 NMMYYY C41H53N7O11S2 883.3245 NA PeJP NA NA +PJ065240 GPCCCKHH C34H53N13O9S3 883.3252 NA PeJP NA NA +PJ065241 SPEEEMY C37H53N7O16S 883.327 NA PeJP NA NA +PJ065242 SSSCCNQR C30H53N13O14S2 883.3277 NA PeJP NA NA +PJ065243 PPDMMMY C38H57N7O11S3 883.3278 NA PeJP NA NA +PJ065244 GCNNQYW C38H49N11O12S 883.3283 NA PeJP NA NA +PJ065245 CCMRWW C39H53N11O7S3 883.3292 NA PeJP NA NA +PJ065246 SNDDDRY C34H49N11O17 883.3308 NA PeJP NA NA +PJ065247 SSCDMRW C35H53N11O12S2 883.3317 NA PeJP NA NA +PJ065248 SDDHHHH C35H45N15O13 883.3322 NA PeJP NA NA +PJ065249 CNEFWW C43H49N9O10S 883.3323 NA PeJP NA NA +PJ065250 SSSSDDMR C31H53N11O17S 883.3342 NA PeJP NA NA +PJ065251 GSNEEYW C39H49N9O15 883.3348 NA PeJP NA NA +PJ065252 GGGSEEYW C39H49N9O15 883.3349 NA PeJP NA NA +PJ065253 SNDMMMR C32H57N11O12S3 883.3351 NA PeJP NA NA +PJ065254 GSSMMWW C40H53N9O10S2 883.3357 NA PeJP NA NA +PJ065255 GSSSTEMW C36H53N9O15S 883.3382 NA PeJP NA NA +PJ065256 NDFYYY C44H49N7O13 883.3389 NA PeJP NA NA +PJ065257 GTQMMMW C37H57N9O10S3 883.3391 NA PeJP NA NA +PJ065258 SSCQHHW C37H49N13O11S 883.3396 NA PeJP NA NA +PJ065259 ACCFFFF C45H53N7O8S2 883.3397 NA PeJP NA NA +PJ065260 GSSSSTTEE C32H53N9O20 883.3407 NA PeJP NA NA +PJ065261 GSSDKEMM C33H57N9O15S2 883.3416 NA PeJP NA NA +PJ065262 SSSSNEHH C33H49N13O16 883.3421 NA PeJP NA NA +PJ065263 GSTMYYY C41H53N7O13S 883.3422 NA PeJP NA NA +PJ065264 VNQMMMM C34H61N9O10S4 883.3424 NA PeJP NA NA +PJ065265 GGVQMMMM C34H61N9O10S4 883.3425 NA PeJP NA NA +PJ065266 CCNNQFR C34H53N13O11S2 883.3429 NA PeJP NA NA +PJ065267 GGGGGACCFR C34H53N13O11S2 883.343 NA PeJP NA NA +PJ065268 SVEEEEY C37H53N7O18 883.3447 NA PeJP NA NA +PJ065269 GSSSSSCNR C30H53N13O16S 883.3454 NA PeJP NA NA +PJ065270 PVDEMMY C38H57N7O13S2 883.3456 NA PeJP NA NA +PJ065271 SSNNNYW C38H49N11O14 883.3461 NA PeJP NA NA +PJ065272 SCCEMRR C31H57N13O11S3 883.3463 NA PeJP NA NA +PJ065273 PPMMMMF C39H61N7O8S4 883.3465 NA PeJP NA NA +PJ065274 GPCCRYW C39H53N11O9S2 883.347 NA PeJP NA NA +PJ065275 GCFWWW C47H49N9O7S 883.3476 NA PeJP NA NA +PJ065276 TLEEMMM C35H61N7O13S3 883.349 NA PeJP NA NA +PJ065277 SNNQQMY C35H53N11O14S 883.3494 NA PeJP NA NA +PJ065278 GNDEMRY C35H53N11O14S 883.3495 NA PeJP NA NA +PJ065279 PLMMMMM C36H65N7O8S5 883.3499 NA PeJP NA NA +PJ065280 SNEYWW C43H49N9O12 883.3501 NA PeJP NA NA +PJ065281 GTCMMRW C36H57N11O9S3 883.3503 NA PeJP NA NA +PJ065282 GEMHHHH C36H49N15O10S 883.3508 NA PeJP NA NA +PJ065283 SSSSSSSQQ C31H53N11O19 883.3519 NA PeJP NA NA +PJ065284 GGGGSSSSSTT C31H53N11O19 883.352 NA PeJP NA NA +PJ065285 GSSSEMMR C32H57N11O14S2 883.3528 NA PeJP NA NA +PJ065286 NNNDDHR C32H49N15O15 883.3533 NA PeJP NA NA +PJ065287 SSSTMWW C40H53N9O12S 883.3535 NA PeJP NA NA +PJ065288 GQMMMMR C33H61N11O9S4 883.3537 NA PeJP NA NA +PJ065289 SCNMHHR C33H53N15O10S2 883.3542 NA PeJP NA NA +PJ065290 CKMMWW C41H57N9O7S3 883.3543 NA PeJP NA NA +PJ065291 GCHHHFF C41H49N13O8S 883.3548 NA PeJP NA NA +PJ065292 SSSSTTEW C36H53N9O17 883.356 NA PeJP NA NA +PJ065293 SSDKMMW C37H57N9O12S2 883.3568 NA PeJP NA NA +PJ065294 GGGAPTMMY C37H57N9O12S2 883.3569 NA PeJP NA NA +PJ065295 GSSSSHHW C37H49N13O13 883.3573 NA PeJP NA NA +PJ065296 NMFFYY C45H53N7O10S 883.3575 NA PeJP NA NA +PJ065297 ACCKHHW C38H53N13O8S2 883.3582 NA PeJP NA NA +PJ065298 SSSSKEEM C33H57N9O17S 883.3593 NA PeJP NA NA +PJ065299 SSTTYYY C41H53N7O15 883.36 NA PeJP NA NA +PJ065300 SQKEMMM C34H61N9O12S3 883.3602 NA PeJP NA NA +PJ065301 GCDDRRY C34H53N13O13S 883.3607 NA PeJP NA NA +PJ065302 PPDMMFF C42H57N7O10S2 883.3609 NA PeJP NA NA +PJ065303 GSPDHWW C42H49N11O11 883.3613 NA PeJP NA NA +PJ065304 PCCCFRR C35H57N13O8S3 883.3616 NA PeJP NA NA +PJ065305 ALEEEMY C38H57N7O15S 883.3634 NA PeJP NA NA +PJ065306 SSSCCNKR C31H57N13O13S2 883.364 NA PeJP NA NA +PJ065307 GGSSSCCKR C31H57N13O13S2 883.3641 NA PeJP NA NA +PJ065308 PVEMMMF C39H61N7O10S3 883.3642 NA PeJP NA NA +PJ065309 NDMRYW C39H53N11O11S 883.3647 NA PeJP NA NA +PJ065310 GCMMMRR C32H61N13O8S4 883.3649 NA PeJP NA NA +PJ065311 GSYWWW C47H49N9O9 883.3654 NA PeJP NA NA +PJ065312 MHHHHW C40H49N15O7S 883.3661 NA PeJP NA NA +PJ065313 SSNEERY C35H53N11O16 883.3672 NA PeJP NA NA +PJ065314 VLEMMMM C36H65N7O10S4 883.3676 NA PeJP NA NA +PJ065315 SSSMMRW C36H57N11O11S2 883.3681 NA PeJP NA NA +PJ065316 STEHHHH C36H49N15O12 883.3686 NA PeJP NA NA +PJ065317 AQMYWW C44H53N9O9S 883.3687 NA PeJP NA NA +PJ065318 SSSSTEMR C32H57N11O16S 883.3706 NA PeJP NA NA +PJ065319 GSDKEYW C40H53N9O14 883.3712 NA PeJP NA NA +PJ065320 GGGAAEEFF C40H53N9O14 883.3713 NA PeJP NA NA +PJ065321 STQMMMR C33H61N11O11S3 883.3714 NA PeJP NA NA +PJ065322 GGTTMMMR C33H61N11O11S3 883.3715 NA PeJP NA NA +PJ065323 GSSTCHHR C33H53N15O12S 883.3719 NA PeJP NA NA +PJ065324 GPCKMYW C41H57N9O9S2 883.3721 NA PeJP NA NA +PJ065325 NNQHWW C41H49N13O10 883.3726 NA PeJP NA NA +PJ065326 SSSSSLMW C37H57N9O14S 883.3746 NA PeJP NA NA +PJ065327 VNYYYY C45H53N7O12 883.3752 NA PeJP NA NA +MJ096858 Yakusimycin B C45H53N7O12 883.37522 NA MeJP NA NA +PJ065328 PPDDFFF C45H53N7O12 883.3753 NA PeJP NA NA +PJ065329 GTKMMMW C38H61N9O9S3 883.3755 NA PeJP NA NA +PJ065330 GPCEHRW C38H53N13O10S 883.3759 NA PeJP NA NA +PJ065331 GGAQMHHF C38H53N13O10S 883.376 NA PeJP NA NA +PJ065332 SSSSSSTLE C33H57N9O19 883.3771 NA PeJP NA NA +PJ065333 GSTTKEMM C34H61N9O14S2 883.378 NA PeJP NA NA +PJ065334 GSSSNNRY C34H53N13O15 883.3784 NA PeJP NA NA +PJ065335 GGGGGSSSRY C34H53N13O15 883.3785 NA PeJP NA NA +PJ065336 PPVDMYY C42H57N7O12S 883.3786 NA PeJP NA NA +PJ065337 VNKMMMM C35H65N9O9S4 883.3788 NA PeJP NA NA +PJ065338 GGVKMMMM C35H65N9O9S4 883.3789 NA PeJP NA NA +PJ065339 SPCCRRY C35H57N13O10S2 883.3793 NA PeJP NA NA +PJ065340 ACRYWW C43H53N11O8S 883.38 NA PeJP NA NA +PJ065341 TTLEEEY C38H57N7O17 883.3811 NA PeJP NA NA +PJ065342 PTLEMMY C39H61N7O12S2 883.382 NA PeJP NA NA +PJ065343 GSSERYW C39H53N11O13 883.3825 NA PeJP NA NA +PJ065344 STCMMRR C32H61N13O10S3 883.3827 NA PeJP NA NA +PJ065345 NMMFRW C40H57N11O8S2 883.3833 NA PeJP NA NA +PJ065346 GPNHHHW C40H49N15O9 883.3838 NA PeJP NA NA +PJ065347 GTQEMRY C36H57N11O13S 883.3858 NA PeJP NA NA +PJ065348 GGGGGGTKMY C36H57N11O13S 883.3859 NA PeJP NA NA +PJ065349 SDKYWW C44H53N9O11 883.3865 NA PeJP NA NA +PJ065350 PCCKMFR C37H61N11O8S3 883.3867 NA PeJP NA NA +PJ065351 GCQHHFR C37H53N15O9S 883.3872 NA PeJP NA NA +PJ065352 SSSSSSSQK C32H57N11O18 883.3883 NA PeJP NA NA +PJ065353 GSTTTMMR C33H61N11O13S2 883.3892 NA PeJP NA NA +PJ065354 GDDEHRR C33H53N15O14 883.3897 NA PeJP NA NA +PJ065355 QKEMYW C41H57N9O11S 883.3899 NA PeJP NA NA +PJ065356 GKMMMMR C34H65N11O8S4 883.3901 NA PeJP NA NA +PJ065357 NFFFFY C49H53N7O9 883.3905 NA PeJP NA NA +PJ065358 TCCKHHR C34H57N15O9S2 883.3906 NA PeJP NA NA +PJ065359 PCHRWW C42H53N13O7S 883.3912 NA PeJP NA NA +PJ065360 SSTTTTTW C37H57N9O16 883.3923 NA PeJP NA NA +MJ096859 Vinzolidine C48H58ClN5O9 883.392306 NA MeJP NA NA +PJ065361 STQKEEY C37H57N9O16 883.3924 NA PeJP NA NA +PJ065362 STTKMMW C38H61N9O11S2 883.3932 NA PeJP NA NA +PJ065363 QEEHRW C38H53N13O12 883.3937 NA PeJP NA NA +PJ065364 SSTTTKEM C34H61N9O16S 883.3957 NA PeJP NA NA +PJ065365 APLEEYY C42H57N7O14 883.3964 NA PeJP NA NA +PJ065366 SKKEMMM C35H65N9O11S3 883.3966 NA PeJP NA NA +PJ065367 GSDMRRY C35H57N13O12S 883.3971 NA PeJP NA NA +PJ065368 PPVMMFY C43H61N7O9S2 883.3973 NA PeJP NA NA +PJ065369 SSRYWW C43H53N11O10 883.3977 NA PeJP NA NA +PJ065370 SLLEEMY C39H61N7O14S 883.3998 NA PeJP NA NA +PJ065371 PVLMMMY C40H65N7O9S3 883.4006 NA PeJP NA NA +PJ065372 TQMRYW C40H57N11O10S 883.4011 NA PeJP NA NA +PJ065373 AQFFWW C48H53N9O8 883.4017 NA PeJP NA NA +PJ065374 GAAFFWW C48H53N9O8 883.4018 NA PeJP NA NA +PJ065375 SSDKERY C36H57N11O15 883.4036 NA PeJP NA NA +PJ065376 GVQMMRY C37H61N11O10S2 883.4045 NA PeJP NA NA +PJ065377 DDHRRW C37H53N15O11 883.4049 NA PeJP NA NA +PJ065378 GGGGGTHRW C37H53N15O11 883.405 NA PeJP NA NA +PJ065379 AKMYWW C45H57N9O8S 883.4051 NA PeJP NA NA +PJ065380 SSTTTTMR C33H61N11O15S 883.407 NA PeJP NA NA +PJ065381 GTTKEYW C41H57N9O13 883.4076 NA PeJP NA NA +PJ065382 STKMMMR C34H65N11O10S3 883.4078 NA PeJP NA NA +PJ065383 SPCEHRR C34H57N15O11S 883.4083 NA PeJP NA NA +PJ065384 AAKMMFW C42H61N9O8S2 883.4085 NA PeJP NA NA +PJ065385 AEHRWW C42H53N13O9 883.409 NA PeJP NA NA +PJ065386 GKKEEMY C38H61N9O13S 883.411 NA PeJP NA NA +PJ065387 TKFYYY C46H57N7O11 883.4116 NA PeJP NA NA +PJ065388 PCKKMMF C39H65N9O8S3 883.4119 NA PeJP NA NA +PJ065389 TCRRYW C39H57N13O9S 883.4123 NA PeJP NA NA +PJ065390 GLHWWW C47H53N11O7 883.413 NA PeJP NA NA +PJ065391 SSSSTTTTL C34H61N9O18 883.4135 NA PeJP NA NA +PJ065392 ATTTTKMM C35H65N9O13S2 883.4143 NA PeJP NA NA +PJ065393 SSSTLKMM C35H65N9O13S2 883.4144 NA PeJP NA NA +PJ065394 SSSERRY C35H57N13O14 883.4148 NA PeJP NA NA +PJ065395 GGGGGPPTER C35H57N13O14 883.4149 NA PeJP NA NA +PJ065396 PPTLMYY C43H61N7O11S 883.415 NA PeJP NA NA +PJ065397 CLKKMMM C36H69N9O8S4 883.4152 NA PeJP NA NA +PJ065398 QMMRRY C36H61N13O9S2 883.4157 NA PeJP NA NA +PJ065399 SPNHHHR C36H53N17O10 883.4162 NA PeJP NA NA +PJ065400 PKMHWW C44H57N11O7S 883.4164 NA PeJP NA NA +PJ065401 VVLEMMY C40H65N7O11S2 883.4184 NA PeJP NA NA +PJ065402 GTTTRYW C40H57N11O12 883.4188 NA PeJP NA NA +PJ065403 APPEERW C40H57N11O12 883.4189 NA PeJP NA NA +PJ065404 GNNMHRR C33H57N17O10S 883.4195 NA PeJP NA NA +PJ065405 GGGNMHRR C33H57N17O10S 883.4196 NA PeJP NA NA +PJ065406 GLHHHHF C41H53N15O8 883.4202 NA PeJP NA NA +PJ065407 GTKEMRY C37H61N11O12S 883.4222 NA PeJP NA NA +PJ065408 GGGGGAAPPLM C37H61N11O12S 883.4223 NA PeJP NA NA +PJ065409 TTKYWW C45H57N9O10 883.4229 NA PeJP NA NA +PJ065410 GCKHHFR C38H57N15O8S 883.4236 NA PeJP NA NA +PJ065411 SSSSSSSKK C33H61N11O17 883.4247 NA PeJP NA NA +PJ065412 SSTCCKKK C34H65N11O12S2 883.4256 NA PeJP NA NA +PJ065413 GTEEHRR C34H57N15O13 883.4261 NA PeJP NA NA +PJ065414 KKEMYW C42H61N9O10S 883.4262 NA PeJP NA NA +PJ065415 GSPPPLMW C42H61N9O10S 883.4263 NA PeJP NA NA +PJ065416 CMRRRY C35H61N15O8S2 883.4269 NA PeJP NA NA +PJ065417 STKKEEY C38H61N9O15 883.4287 NA PeJP NA NA +PJ065418 GPPVKEEE C38H61N9O15 883.4288 NA PeJP NA NA +PJ065419 SPKKMMY C39H65N9O10S2 883.4296 NA PeJP NA NA +PJ065420 KEEHRW C39H57N13O11 883.4301 NA PeJP NA NA +PJ065421 PPVMFFF C47H61N7O8S 883.4303 NA PeJP NA NA +PJ065422 TTTTTTKM C35H65N9O15S 883.4321 NA PeJP NA NA +MJ096860 Antibiotic RPI 856A C43H61N7O13 883.432735 NA MeJP NA NA +PJ065423 SPLLEYY C43H61N7O13 883.4328 NA PeJP NA NA +7432 coeliac toxic peptide QQPPFSEQEQLVLPQ 883.433 MH2+ Inhouse_peptide NA peptide +PJ065424 SSCLRRY C36H61N13O11S 883.4334 NA PeJP NA NA +PJ065425 GTTMRRY C36H61N13O11S 883.4335 NA PeJP NA NA +PJ065426 PVLMMFF C44H65N7O8S2 883.4336 NA PeJP NA NA +PJ065427 VKEHWW C44H57N11O9 883.4341 NA PeJP NA NA +PJ065428 VLLMMMF C41H69N7O8S3 883.437 NA PeJP NA NA +PJ065429 SSNQHRR C33H57N17O12 883.4373 NA PeJP NA NA +PJ065430 TKMRYW C41H61N11O9S 883.4375 NA PeJP NA NA +PJ065431 PPLWWW C49H57N9O7 883.4381 NA PeJP NA NA +PJ065432 STTKERY C37H61N11O14 883.44 NA PeJP NA NA +PJ065433 ACLKMRY C38H65N11O9S2 883.4408 NA PeJP NA NA +PJ065434 GVKMMRY C38H65N11O9S2 883.4409 NA PeJP NA NA +PJ065435 TEHRRW C38H57N15O10 883.4413 NA PeJP NA NA +PJ065436 SSTLKYW C42H61N9O12 883.444 NA PeJP NA NA +PJ065437 GVEMHRR C35H61N15O10S 883.4447 NA PeJP NA NA +PJ065438 SLHRWW C43H57N13O8 883.4453 NA PeJP NA NA +PJ065439 PPLHHHF C43H57N13O8 883.4454 NA PeJP NA NA +PJ065440 SVKKEMY C39H65N9O12S 883.4474 NA PeJP NA NA +PJ065441 PPVVFYY C47H61N7O10 883.448 NA PeJP NA NA +PJ065442 AALMHRW C40H61N13O8S 883.4487 NA PeJP NA NA +PJ065443 STTTRRY C36H61N13O13 883.4512 NA PeJP NA NA +PJ065444 GGGGGGGGAPLK C36H61N13O13 883.4513 NA PeJP NA NA +PJ065445 PVVLMYY C44H65N7O10S 883.4514 NA PeJP NA NA +PJ065446 KMMRRY C37H65N13O8S2 883.4521 NA PeJP NA NA +PJ065447 GLQHHHR C37H57N17O9 883.4526 NA PeJP NA NA +PJ065448 TLLLMMY C41H69N7O10S2 883.4548 NA PeJP NA NA +PJ065449 SPPLERW C41H61N11O11 883.4552 NA PeJP NA NA +PJ065450 GGPPDKKW C41H61N11O11 883.4553 NA PeJP NA NA +PJ065451 EMHRRR C34H61N17O9S 883.4559 NA PeJP NA NA +PJ065452 SSLKMRY C38H65N11O11S 883.4586 NA PeJP NA NA +PJ065453 SPPVLWW C46H61N9O9 883.4593 NA PeJP NA NA +PJ065454 VMHRRW C39H61N15O7S 883.46 NA PeJP NA NA +PJ065455 APQQERR C35H61N15O12 883.4624 NA PeJP NA NA +PJ065456 SSLEHRR C35H61N15O12 883.4625 NA PeJP NA NA +PJ065457 PPLLQMW C43H65N9O9S 883.4626 NA PeJP NA NA +PJ065458 AAHHHRR C36H57N19O8 883.4638 NA PeJP NA NA +PJ065459 SSSSLLKY C39H65N9O14 883.4651 NA PeJP NA NA +PJ065460 GGGPLLLEE C39H65N9O14 883.4652 NA PeJP NA NA +PJ065461 ALKKMMY C40H69N9O9S2 883.466 NA PeJP NA NA +PJ065462 ATTLHRW C40H61N13O10 883.4665 NA PeJP NA NA +PJ065463 ALLLEYY C44H65N7O12 883.4691 NA PeJP NA NA +MJ096861 Micropeptin 88A C44H65N7O12 883.46912 NA MeJP NA NA +PJ065464 TLLLDFY C44H65N7O12 883.4692 NA PeJP NA NA +PJ065465 ALKEMHR C37H65N13O10S 883.4698 NA PeJP NA NA +PJ065466 PPVEMRR C37H65N13O10S 883.4699 NA PeJP NA NA +PJ065467 TKFFRW C45H61N11O8 883.4705 NA PeJP NA NA +PJ065468 GPNERRR C34H61N17O11 883.4737 NA PeJP NA NA +PJ065469 PPVVMRW C42H65N11O8S 883.4739 NA PeJP NA NA +PJ065470 GSSSKKKY C38H65N11O13 883.4764 NA PeJP NA NA +PJ065471 CCKKKKF C39H69N11O8S2 883.4772 NA PeJP NA NA +PJ065472 AAPQRRW C39H61N15O9 883.4777 NA PeJP NA NA +PJ065473 PVLLQEW C43H65N9O11 883.4804 NA PeJP NA NA +PJ065474 ATLMHRR C36H65N15O9S 883.4811 NA PeJP NA NA +PJ065475 TTLKKMY C40H69N9O11S 883.4838 NA PeJP NA NA +PJ065476 PVVLFFY C48H65N7O9 883.4844 NA PeJP NA NA +PJ065477 KMFFRR C41H65N13O7S 883.4851 NA PeJP NA NA +PJ065478 PVVEERR C37H65N13O12 883.4876 NA PeJP NA NA +PJ065479 VVLLMFY C45H69N7O9S 883.4878 NA PeJP NA NA +PJ065480 PNRRRW C38H61N17O8 883.4889 NA PeJP NA NA +PJ065481 GGPRRRW C38H61N17O8 883.489 NA PeJP NA NA +PJ065482 APLLERW C42H65N11O10 883.4916 NA PeJP NA NA +PJ065483 GCKKHRR C35H65N17O8S 883.4923 NA PeJP NA NA +C10824 Solasonine C45H73NO16 883.4929 NA KEGG NA NA +MJ096862 5-Spirosolene-3,23-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H73NO16 883.492935 NA MeJP NA NA +MJ096863 Leptinidine; 3-O-[?-D-Glucopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-D-galactopyranoside] C45H73NO16 883.492935 NA MeJP NA NA +MJ096864 Leucomycin A3; 9-Propanoyl C45H73NO16 883.492935 NA MeJP NA NA +MJ096865 Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-galactopyranoside] C45H73NO16 883.492935 NA MeJP NA NA +MJ096866 Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-galactopyranoside] C45H73NO16 883.492935 NA MeJP NA NA +MJ096867 Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] C45H73NO16 883.492935 NA MeJP NA NA +MJ096868 Spirosol-5-en-3-ol, Glycoside (Unknown struct. 2) C45H73NO16 883.492935 NA MeJP NA NA +MJ096869 Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] C45H73NO16 883.492935 NA MeJP NA NA +PJ065484 SCKKKKY C39H69N11O10S 883.495 NA PeJP NA NA +PJ065485 LKKFYW C47H65N9O8 883.4956 NA PeJP NA NA +PJ065486 GPLLLWW C47H65N9O8 883.4957 NA PeJP NA NA +PJ065487 TTTLHRR C36H65N15O11 883.4988 NA PeJP NA NA +PJ065488 GAAPKERR C36H65N15O11 883.4989 NA PeJP NA NA +PJ065489 PPLLKMW C44H69N9O8S 883.499 NA PeJP NA NA +PJ065490 GPVLLKEE C40H69N9O13 883.5015 NA PeJP NA NA +PJ065491 GPLQKRW C41H65N13O9 883.5029 NA PeJP NA NA +PJ065492 SLLLLYY C45H69N7O11 883.5055 NA PeJP NA NA +PJ065493 SLLKMHR C38H69N13O9S 883.5062 NA PeJP NA NA +PJ065494 GPDKRRR C35H65N17O10 883.5101 NA PeJP NA NA +PJ065495 SPPTTLLR C39H69N11O12 883.5127 NA PeJP NA NA +PJ065496 PLLKEER C39H69N11O12 883.5128 NA PeJP NA NA +PJ065497 AAPKRRW C40H65N15O8 883.5141 NA PeJP NA NA +PJ065498 PVLLKEW C44H69N9O10 883.5168 NA PeJP NA NA +PJ065499 PPCKKRR C37H69N15O8S 883.5175 NA PeJP NA NA +PJ065500 SPPVLLKM C41H73N9O10S 883.5202 NA PeJP NA NA +PJ065501 VVLLFFF C49H69N7O8 883.5208 NA PeJP NA NA +PJ065502 GSPRRRR C34H65N19O9 883.5213 NA PeJP NA NA +PJ065503 PTLLERR C38H69N13O11 883.524 NA PeJP NA NA +PJ065504 LHFRRR C39H65N17O7 883.5253 NA PeJP NA NA +PJ065505 SPLLLRW C43H69N11O9 883.528 NA PeJP NA NA +PJ065506 AAPLLLMR C40H73N11O9S 883.5314 NA PeJP NA NA +PJ065507 APKKERR C37H69N15O10 883.5352 NA PeJP NA NA +MJ096870 Rubellidin 4.2; 9-Carboxylic acid C41H73N9O12 883.537868 NA MeJP NA NA +PJ065508 APTLLLKE C41H73N9O12 883.5379 NA PeJP NA NA +PJ065509 VVVKHFR C42H69N13O8 883.5392 NA PeJP NA NA +PJ065510 GPLKKRW C42H69N13O8 883.5393 NA PeJP NA NA +PJ065511 PVLLMRR C39H73N13O8S 883.5426 NA PeJP NA NA +MJ096871 Rapamycin; 32-Demethoxy C50H77NO12 883.544576 NA MeJP NA NA +PJ065512 APTKRRR C36H69N17O9 883.5465 NA PeJP NA NA +PJ065513 LLLLQER C40H73N11O11 883.5491 NA PeJP NA NA +PJ065514 GALLLLER C40H73N11O11 883.5492 NA PeJP NA NA +PJ065515 VLLLLQW C45H73N9O9 883.5532 NA PeJP NA NA +PJ065516 GPLLLLKM C42H77N9O9S 883.5565 NA PeJP NA NA +PJ065517 LQRRRR C35H69N19O8 883.5577 NA PeJP NA NA +PJ065518 VVLLERR C39H73N13O10 883.5604 NA PeJP NA NA +MJ096872 Antibiotic SUAM 20008 C43H77N7O12 883.56302 NA MeJP NA NA +PJ065519 ALLLLRW C44H73N11O8 883.5644 NA PeJP NA NA +MJ096873 Antibiotic A 82548A C47H81NO14 883.565706 NA MeJP NA NA +MJ096874 Mycobactin; Mycobactin R C48H77N5O10 883.567043 NA MeJP NA NA +PJ065520 SPLKKRR C38H73N15O9 883.5716 NA PeJP NA NA +PJ065521 GVLLLLKE C42H77N9O11 883.5743 NA PeJP NA NA +PJ065522 AVVKRRR C37H73N17O8 883.5828 NA PeJP NA NA +PJ065523 GVLKRRR C37H73N17O8 883.5829 NA PeJP NA NA +PJ065524 LLLLKER C41H77N11O10 883.5855 NA PeJP NA NA +PJ065525 VLLLLKW C46H77N9O8 883.5896 NA PeJP NA NA +PJ065526 LKRRRR C36H73N19O7 883.5941 NA PeJP NA NA +PJ065527 TLLLLRR C40H77N13O9 883.5968 NA PeJP NA NA +PJ065528 ALLKKRR C39H77N15O8 883.608 NA PeJP NA NA +HMDB08647 PC(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C52H86NO8P 883.609131 NA HMDB2010 NA NA +HMDB08648 PC(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C52H86NO8P 883.609131 NA HMDB2010 NA NA +HMDB08679 PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) C52H86NO8P 883.609131 NA HMDB2010 NA NA +HMDB08712 PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) C52H86NO8P 883.609131 NA HMDB2010 NA NA +PJ065529 ATLLLLLK C43H81N9O10 883.6107 NA PeJP NA NA +PJ065530 AALLLKKK C42H81N11O9 883.6219 NA PeJP NA NA +PJ065531 VLLKKKR C41H81N13O8 883.6331 NA PeJP NA NA +EUR1137 SM(d18:1/26:3) [M+FA-H]- C49H94N2O6P 883.689831 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1137 SM(d18:1/26:3) [M+FA-H]- C49H94N2O6P 883.689831 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1137 SM(d18:1/26:3) [M+FA-H]- C49H94N2O6P 883.689831 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1137 SM(d18:1/26:3) [M+FA-H]- C49H94N2O6P 883.689831 masses lipides attendues Inhousejuil11 NA NA +HMDB09542 PE(22:1(13Z)/24:1(15Z)) C51H98NO8P 883.703003 NA HMDB2010 NA NA +HMDB09574 PE(22:2(13Z,16Z)/24:0) C51H98NO8P 883.703003 NA HMDB2010 NA NA +HMDB09734 PE(24:0/22:2(13Z,16Z)) C51H98NO8P 883.703003 NA HMDB2010 NA NA +HMDB09766 PE(24:1(15Z)/22:1(13Z)) C51H98NO8P 883.703003 NA HMDB2010 NA NA +5463 aurein 3,2 GLFDIVKKIAGHIASSI 884.00445 MH2+ Inhouse_peptide NA peptide +MJ096875 Sulfohalopterin 2 C26H32N10O21S2 884.118489 NA MeJP NA NA +PJ065532 GCCCCCMY C31H48N8O10S6 884.1818 NA PeJP NA NA +PJ065533 SCCCCDDH C29H44N10O14S4 884.1922 NA PeJP NA NA +PJ065534 PCCCDDDD C30H44N8O17S3 884.1987 NA PeJP NA NA +PJ065535 STCCCCCY C31H48N8O12S5 884.1996 NA PeJP NA NA +PJ065536 GCCCCEMH C30H48N10O11S5 884.2108 NA PeJP NA NA +PJ065537 GCCCCCFF C35H48N8O9S5 884.2148 NA PeJP NA NA +PJ065538 GCDDDDDM C30H44N8O19S2 884.2165 NA PeJP NA NA +PJ065539 CCCCMHW C34H48N10O8S5 884.2261 NA PeJP NA NA +PJ065540 SCCNNDDD C29H44N10O18S2 884.2277 NA PeJP NA NA +PJ065541 SSCCCDMH C30H48N10O13S4 884.2286 NA PeJP NA NA +PJ065542 CCDDDEW C34H44N8O16S2 884.2317 NA PeJP NA NA +PJ065543 CCCCQYY C35H48N8O11S4 884.2326 NA PeJP NA NA +PJ065544 SSCDDDDE C30H44N8O21S 884.2342 NA PeJP NA NA +PJ065545 SPCCDDDM C31H48N8O16S3 884.2351 NA PeJP NA NA +PJ065546 PPCCCCEM C32H52N8O11S5 884.236 NA PeJP NA NA +MJ096876 3',4',5,7-Tetrahydroxyflavan(4?8)-3',4',5,7-tetrahydroxyflavanone; 5,5'-Di-O-?-D-glucopyranoside C42H44O21 884.237508 NA MeJP NA NA +PJ065547 GPCCCCNW C34H48N10O10S4 884.2438 NA PeJP NA NA +PJ065548 GCCNNDEM C30H48N10O15S3 884.2463 NA PeJP NA NA +PJ065549 GTCCCMMH C31H52N10O10S5 884.2472 NA PeJP NA NA +PJ065550 GSSCCCYY C35H48N8O13S3 884.2503 NA PeJP NA NA +PJ065551 GSDDDDMM C31H48N8O18S2 884.2528 NA PeJP NA NA +PJ065552 GPCCDEMM C32H52N8O13S4 884.2537 NA PeJP NA NA +PJ065553 SCCCNNNQ C29H48N12O14S3 884.2575 NA PeJP NA NA +PJ065554 GCCCNDDR C29H48N12O14S3 884.2576 NA PeJP NA NA +PJ065555 CCNNDMW C34H48N10O12S3 884.2616 NA PeJP NA NA +PJ065556 SSCNNDDM C30H48N10O17S2 884.2641 NA PeJP NA NA +PJ065557 SSSCCMMH C31H52N10O12S4 884.2649 NA PeJP NA NA +PJ065558 GGGGPTCCCM C31H52N10O12S4 884.265 NA PeJP NA NA +PJ065559 NDDDDEY C34H44N8O20 884.2672 NA PeJP NA NA +PJ065560 SCDDEMW C35H48N8O15S2 884.2681 NA PeJP NA NA +PJ065561 PCCDMMW C36H52N8O10S4 884.269 NA PeJP NA NA +PJ065562 SSSDDDEM C31H48N8O20S 884.2706 NA PeJP NA NA +PJ065563 NDDEMMM C32H52N8O15S3 884.2715 NA PeJP NA NA +PJ065564 GSCDDDHH C32H44N12O16S 884.2719 NA PeJP NA NA +PJ065565 PPTCCCMM C33H56N8O10S5 884.2723 NA PeJP NA NA +PJ065566 GPCCCEHH C33H48N12O11S3 884.2728 NA PeJP NA NA +PJ065567 GSSSCCNNN C29H48N12O16S2 884.2753 NA PeJP NA NA +PJ065568 SPCCCCNR C30H52N12O11S4 884.2762 NA PeJP NA NA +PJ065569 GCCCQWW C38H48N10O9S3 884.2768 NA PeJP NA NA +PJ065570 GPDDDDDH C33H44N10O19 884.2785 NA PeJP NA NA +PJ065571 GSSCCNEW C34H48N10O14S2 884.2793 NA PeJP NA NA +PJ065572 CCNMMHF C35H52N10O9S4 884.2802 NA PeJP NA NA +PJ065573 GSSSSCNDE C30H48N10O19S 884.2818 NA PeJP NA NA +PJ065574 GDDDDYW C38H44N8O17 884.2825 NA PeJP NA NA +PJ065575 CDDDMMR C31H52N10O14S3 884.2827 NA PeJP NA NA +PJ065576 GCCNYYY C39H48N8O12S2 884.2833 NA PeJP NA NA +PJ065577 PCCDDFW C39H48N8O12S2 884.2834 NA PeJP NA NA +PJ065578 CNDEEEF C35H48N8O17S 884.2858 NA PeJP NA NA +PJ065579 GSPCDDEY C35H48N8O17S 884.2859 NA PeJP NA NA +PJ065580 GDDMMMW C36H52N8O12S3 884.2867 NA PeJP NA NA +PJ065581 PCCCHHW C37H48N12O8S3 884.2881 NA PeJP NA NA +PJ065582 GSSDEEMM C32H52N8O17S2 884.2892 NA PeJP NA NA +PJ065583 GSPCEMMM C33H56N8O12S4 884.2901 NA PeJP NA NA +PJ065584 GCCNNNNF C33H48N12O13S2 884.2906 NA PeJP NA NA +PJ065585 GSCCNDMR C30H52N12O13S3 884.2939 NA PeJP NA NA +PJ065586 GGGGGGSCCCK C30H52N12O13S3 884.294 NA PeJP NA NA +PJ065587 SSCCNWW C38H48N10O11S2 884.2946 NA PeJP NA NA +MJ096877 Depresteroside C40H52O22 884.295023 NA MeJP NA NA +PJ065588 SSSSCNDW C34H48N10O16S 884.2971 NA PeJP NA NA +PJ065589 SCNNMMW C35H52N10O11S3 884.2979 NA PeJP NA NA +PJ065590 GGSCNMMW C35H52N10O11S3 884.298 NA PeJP NA NA +PJ065591 SSSSSSNDD C30H48N10O21 884.2996 NA PeJP NA NA +PJ065592 SSSNNDMM C31H52N10O16S2 884.3004 NA PeJP NA NA +PJ065593 GGSSSNDMM C31H52N10O16S2 884.3005 NA PeJP NA NA +PJ065594 SPCDDYW C39H48N8O14S 884.3011 NA PeJP NA NA +PJ065595 NNNMMMM C32H56N10O11S4 884.3013 NA PeJP NA NA +PJ065596 CCDDHHR C32H48N14O12S2 884.3018 NA PeJP NA NA +PJ065597 CEMMWW C40H52N8O9S3 884.302 NA PeJP NA NA +PJ065598 SNDEEEY C35H48N8O19 884.3036 NA PeJP NA NA +PJ065599 SSDEMMW C36H52N8O14S2 884.3045 NA PeJP NA NA +PJ065600 SPCMMMW C37H56N8O9S4 884.3053 NA PeJP NA NA +PJ065601 GPPCCMMF C37H56N8O9S4 884.3054 NA PeJP NA NA +PJ065602 GCDMHHW C37H48N12O10S2 884.3058 NA PeJP NA NA +PJ065603 SSSSEEEM C32H52N8O19S 884.307 NA PeJP NA NA +PJ065604 SQEEMMM C33H56N8O14S3 884.3078 NA PeJP NA NA +PJ065605 GGTEEMMM C33H56N8O14S3 884.3079 NA PeJP NA NA +PJ065606 GSCNNNNY C33H48N12O15S 884.3083 NA PeJP NA NA +PJ065607 DMMYYY C41H52N6O12S2 884.3085 NA PeJP NA NA +PJ065608 PNMMMMM C34H60N8O9S5 884.3087 NA PeJP NA NA +PJ065609 SCCCQRW C34H52N12O10S3 884.3092 NA PeJP NA NA +PJ065610 SSSCCNER C30H52N12O15S2 884.3117 NA PeJP NA NA +PJ065611 GCNNEYW C38H48N10O13S 884.3123 NA PeJP NA NA +PJ065612 GGGGGCEYW C38H48N10O13S 884.3124 NA PeJP NA NA +PJ065613 CCNQMMR C31H56N12O10S4 884.3126 NA PeJP NA NA +PJ065614 GCCCKWW C39H52N10O8S3 884.3132 NA PeJP NA NA +PJ065615 SDDDDRY C34H48N10O18 884.3148 NA PeJP NA NA +PJ065616 GGGGGSSDEY C34H48N10O18 884.3149 NA PeJP NA NA +PJ065617 GSSSCQMW C35H52N10O13S2 884.3157 NA PeJP NA NA +PJ065618 CDEFWW C43H48N8O11S 884.3164 NA PeJP NA NA +PJ065619 GSSSSSNEM C31H52N10O18S 884.3182 NA PeJP NA NA +PJ065620 GSDEEYW C39H48N8O16 884.3189 NA PeJP NA NA +PJ065621 SDDMMMR C32H56N10O13S3 884.3191 NA PeJP NA NA +PJ065622 SSSCNNHH C32H48N14O14S 884.3195 NA PeJP NA NA +PJ065623 GGSSSCNHH C32H48N14O14S 884.3196 NA PeJP NA NA +PJ065624 GPCEMYW C40H52N8O11S2 884.3197 NA PeJP NA NA +PJ065625 GQEEEMY C36H52N8O16S 884.3222 NA PeJP NA NA +PJ065626 DDFYYY C44H48N6O14 884.3229 NA PeJP NA NA +PJ065627 GTEMMMW C37H56N8O11S3 884.3231 NA PeJP NA NA +PJ065628 SSCEHHW C37H48N12O12S 884.3236 NA PeJP NA NA +PJ065629 CCCNMRR C30H56N14O9S4 884.3238 NA PeJP NA NA +PJ065630 GSTTEEMM C33H56N8O16S2 884.3256 NA PeJP NA NA +PJ065631 SSSSDEHH C33H48N12O17 884.3261 NA PeJP NA NA +PJ065632 VNEMMMM C34H60N8O11S4 884.3265 NA PeJP NA NA +PJ065633 GSSSCCRW C34H52N12O12S2 884.3269 NA PeJP NA NA +PJ065634 GGCCNEFR C34H52N12O12S2 884.327 NA PeJP NA NA +PJ065635 MMMFYY C42H56N6O9S3 884.3271 NA PeJP NA NA +PJ065636 CNNYWW C42H48N10O10S 884.3276 NA PeJP NA NA +PJ065637 GSSSSSCDR C30H52N12O17S 884.3294 NA PeJP NA NA +PJ065638 SSNNDYW C38H48N10O15 884.3301 NA PeJP NA NA +PJ065639 GSSCNMMR C31H56N12O12S3 884.3303 NA PeJP NA NA +PJ065640 GCNQMFW C39H52N10O10S2 884.331 NA PeJP NA NA +PJ065641 SSSSSNMW C35H52N10O15S 884.3335 NA PeJP NA NA +PJ065642 SDEYWW C43H48N8O13 884.3341 NA PeJP NA NA +PJ065643 SCCQKMW C36H56N10O10S3 884.3343 NA PeJP NA NA +PJ065644 GGAPCCCKF C36H56N10O10S3 884.3344 NA PeJP NA NA +PJ065645 CNNNHHF C36H48N14O11S 884.3348 NA PeJP NA NA +PJ065646 PCMYWW C44H52N8O8S2 884.335 NA PeJP NA NA +PJ065647 SSSSSSSQE C31H52N10O20 884.3359 NA PeJP NA NA +PJ065648 GGSSSSSSTE C31H52N10O20 884.336 NA PeJP NA NA +PJ065649 SSSSQQMM C32H56N10O15S2 884.3368 NA PeJP NA NA +PJ065650 NNDDDHR C32H48N14O16 884.3373 NA PeJP NA NA +PJ065651 QEEMYW C40H52N8O13S 884.3375 NA PeJP NA NA +PJ065652 GEMMMMR C33H60N10O10S4 884.3377 NA PeJP NA NA +PJ065653 SCDMHHR C33H52N14O11S2 884.3382 NA PeJP NA NA +PJ065654 TMMMWW C41H56N8O8S3 884.3384 NA PeJP NA NA +PJ065655 STQEEEY C36H52N8O18 884.34 NA PeJP NA NA +PJ065656 STTEMMW C37H56N8O13S2 884.3408 NA PeJP NA NA +PJ065657 TTTDMMW C37H56N8O13S2 884.3409 NA PeJP NA NA +PJ065658 GNNEEHW C37H48N12O14 884.3413 NA PeJP NA NA +PJ065659 GGGGGEEHW C37H48N12O14 884.3414 NA PeJP NA NA +PJ065660 DMFFYY C45H52N6O11S 884.3415 NA PeJP NA NA +PJ065661 GSTCCCRR C30H56N14O11S3 884.3416 NA PeJP NA NA +PJ065662 GVMMMMW C38H60N8O8S4 884.3417 NA PeJP NA NA +PJ065663 GCCNFRW C38H52N12O9S2 884.3422 NA PeJP NA NA +PJ065664 STTTTDEM C33H56N8O18S 884.3433 NA PeJP NA NA +PJ065665 SSTTTEEM C33H56N8O18S 884.3434 NA PeJP NA NA +PJ065666 SKEEMMM C34H60N8O13S3 884.3442 NA PeJP NA NA +PJ065667 SCNNERY C34H52N12O14S 884.3447 NA PeJP NA NA +PJ065668 SCCCKRW C35H56N12O9S3 884.3456 NA PeJP NA NA +PJ065669 SCQHHHH C35H48N16O10S 884.346 NA PeJP NA NA +PJ065670 GGTCHHHH C35H48N16O10S 884.3461 NA PeJP NA NA +PJ065671 SSSSCQMR C31H56N12O14S2 884.3481 NA PeJP NA NA +PJ065672 DDMRYW C39H52N10O12S 884.3487 NA PeJP NA NA +PJ065673 CCNKMMR C32H60N12O9S4 884.3489 NA PeJP NA NA +PJ065674 GGCCKMMR C32H60N12O9S4 884.349 NA PeJP NA NA +PJ065675 GSSSSSSTW C35H52N10O17 884.3512 NA PeJP NA NA +PJ065676 GGGGGPPEEE C35H52N10O17 884.3513 NA PeJP NA NA +PJ065677 GSSSCKMW C36H56N10O12S2 884.3521 NA PeJP NA NA +PJ065678 SNNNNHW C36H48N14O13 884.3526 NA PeJP NA NA +PJ065679 AEMYWW C44H52N8O10S 884.3527 NA PeJP NA NA +PJ065680 GPCEFFW C44H52N8O10S 884.3528 NA PeJP NA NA +PJ065681 MMMMRW C37H60N10O7S4 884.353 NA PeJP NA NA +PJ065682 GSSSSSDKM C32H56N10O17S 884.3546 NA PeJP NA NA +PJ065683 GTTEEYW C40H52N8O15 884.3552 NA PeJP NA NA +PJ065684 GGAPEEYY C40H52N8O15 884.3553 NA PeJP NA NA +PJ065685 STEMMMR C33H60N10O12S3 884.3555 NA PeJP NA NA +PJ065686 GSPCNDHR C33H52N14O13S 884.3559 NA PeJP NA NA +PJ065687 GGGGGGQQMH C33H52N14O13S 884.356 NA PeJP NA NA +PJ065688 GPTMMYW C41H56N8O10S2 884.3561 NA PeJP NA NA +PJ065689 NNEHWW C41H48N12O11 884.3566 NA PeJP NA NA +PJ065690 ACMMHHR C34H56N14O8S3 884.3568 NA PeJP NA NA +PJ065691 GKEEEMY C37H56N8O15S 884.3586 NA PeJP NA NA +PJ065692 VDYYYY C45H52N6O13 884.3593 NA PeJP NA NA +PJ065693 SSLMMMW C38H60N8O10S3 884.3595 NA PeJP NA NA +PJ065694 GSCNRYW C38H52N12O11S 884.36 NA PeJP NA NA +PJ065695 MMFFFY C46H56N6O8S2 884.3601 NA PeJP NA NA +PJ065696 SSSTLEMM C34H60N8O15S2 884.362 NA PeJP NA NA +PJ065697 GSSSNDRY C34H52N12O16 884.3625 NA PeJP NA NA +PJ065698 VDKMMMM C35H64N8O10S4 884.3629 NA PeJP NA NA +PJ065699 GNNMMRY C35H56N12O11S2 884.3633 NA PeJP NA NA +PJ065700 GGGGAAPMMH C35H56N12O11S2 884.3634 NA PeJP NA NA +PJ065701 GSSSHHHH C35H48N16O12 884.3638 NA PeJP NA NA +PJ065702 PEMHWW C43H52N10O9S 884.364 NA PeJP NA NA +PJ065703 GSSSSSSMR C31H56N12O16S 884.3658 NA PeJP NA NA +PJ065704 SSSQQYW C39H52N10O14 884.3665 NA PeJP NA NA +PJ065705 GSTCCKMR C32H60N12O11S3 884.3667 NA PeJP NA NA +PJ065706 CNNNQHR C32H52N16O12S 884.3672 NA PeJP NA NA +PJ065707 ACCQKFW C40H56N10O9S2 884.3673 NA PeJP NA NA +PJ065708 DMMFRW C40H56N10O9S2 884.3674 NA PeJP NA NA +MJ096878 Premnaodoroside G C42H60O20 884.367794 NA MeJP NA NA +PJ065709 GPDHHHW C40H48N14O10 884.3678 NA PeJP NA NA +PJ065710 PCFFWW C48H52N8O7S 884.368 NA PeJP NA NA +PJ065711 SSSSTCKW C36H56N10O14S 884.3698 NA PeJP NA NA +PJ065712 GTEEMRY C36H56N10O14S 884.3699 NA PeJP NA NA +PJ065713 TTEYWW C44H52N8O12 884.3705 NA PeJP NA NA +PJ065714 SCCKKMW C37H60N10O9S3 884.3707 NA PeJP NA NA +PJ065715 GCEHHFR C37H52N14O10S 884.3712 NA PeJP NA NA +PJ065716 CLMFWW C45H56N8O7S2 884.3714 NA PeJP NA NA +PJ065717 GNHWWW C45H48N12O8 884.3718 NA PeJP NA NA +PJ065718 GGGHWWW C45H48N12O8 884.3719 NA PeJP NA NA +PJ065719 SSSSSSSKE C32H56N10O19 884.3723 NA PeJP NA NA +PJ065720 SSSSQKMM C33H60N10O14S2 884.3732 NA PeJP NA NA +PJ065721 SNNEEHR C33H52N14O15 884.3737 NA PeJP NA NA +PJ065722 KEEMYW C41H56N8O12S 884.3739 NA PeJP NA NA +PJ065723 SVMMMMR C34H64N10O9S4 884.3741 NA PeJP NA NA +PJ065724 DFFFFY C49H52N6O10 884.3745 NA PeJP NA NA +PJ065725 GCCQRRY C34H56N14O10S2 884.3746 NA PeJP NA NA +PJ065726 QMHHFW C42H52N12O8S 884.3752 NA PeJP NA NA +PJ065727 STKEEEY C37H56N8O17 884.3764 NA PeJP NA NA +PJ065728 SPKEMMY C38H60N8O12S2 884.3772 NA PeJP NA NA +PJ065729 GAALEMMY C38H60N8O12S2 884.3773 NA PeJP NA NA +PJ065730 EEEHRW C38H52N12O13 884.3777 NA PeJP NA NA +PJ065731 VMFYYY C46H56N6O10S 884.3779 NA PeJP NA NA +PJ065732 GNHHHHF C39H48N16O9 884.3791 NA PeJP NA NA +PJ065733 TTTTTTEM C34H60N8O17S 884.3797 NA PeJP NA NA +PJ065734 GTTTLMMM C35H64N8O12S3 884.3806 NA PeJP NA NA +PJ065735 SSNQMRY C35H56N12O13S 884.3811 NA PeJP NA NA +PJ065736 VEEHWW C43H52N10O11 884.3817 NA PeJP NA NA +PJ065737 GGGPPEWW C43H52N10O11 884.3818 NA PeJP NA NA +PJ065738 AKMMMHH C36H60N12O8S3 884.382 NA PeJP NA NA +PJ065739 SCKHHHH C36H52N16O9S 884.3824 NA PeJP NA NA +PJ065740 SSSSSSSTR C31H56N12O18 884.3836 NA PeJP NA NA +PJ065741 SSSSCKMR C32H60N12O13S2 884.3845 NA PeJP NA NA +PJ065742 GSSNNNHR C32H52N16O14 884.3849 NA PeJP NA NA +PJ065743 GGGGGGGSSHR C32H52N16O14 884.385 NA PeJP NA NA +PJ065744 TEMRYW C40H56N10O11S 884.3851 NA PeJP NA NA +PJ065745 APYYWW C48H52N8O9 884.3858 NA PeJP NA NA +PJ065746 CHHFRW C41H52N14O7S 884.3865 NA PeJP NA NA +PJ065747 STTEERY C36H56N10O16 884.3876 NA PeJP NA NA +PJ065748 GVEMMRY C37H60N10O11S2 884.3885 NA PeJP NA NA +C09679 Helminthosporoside A C39H64O22 884.3889 NA KEGG NA NA +MJ096879 Helminthosporoside A C39H64O22 884.388923 NA MeJP NA NA +PJ065749 GSNEHRW C37H52N14O12 884.389 NA PeJP NA NA +PJ065750 SLMYWW C45H56N8O9S 884.3891 NA PeJP NA NA +PJ065751 GSSSSTTKM C33H60N10O16S 884.391 NA PeJP NA NA +PJ065752 SSTLEYW C41H56N8O14 884.3916 NA PeJP NA NA +PJ065753 GSTCKKMM C34H64N10O11S3 884.3919 NA PeJP NA NA +PJ065754 SSCNRRY C34H56N14O12S 884.3923 NA PeJP NA NA +PJ065755 GGGGGGAPPCR C34H56N14O12S 884.3924 NA PeJP NA NA +PJ065756 AALMMYW C42H60N8O9S2 884.3925 NA PeJP NA NA +PJ065757 NDKHWW C42H52N12O10 884.393 NA PeJP NA NA +PJ065758 MFFFFF C50H56N6O7S 884.3932 NA PeJP NA NA +PJ065759 SVKEEMY C38H60N8O14S 884.395 NA PeJP NA NA +PJ065760 TLYYYY C46H56N6O12 884.3956 NA PeJP NA NA +PJ065761 PCLKMMY C39H64N8O9S3 884.3959 NA PeJP NA NA +PJ065762 GVQQMHW C39H56N12O10S 884.3963 NA PeJP NA NA +PJ065763 GGGLQMHW C39H56N12O10S 884.3964 NA PeJP NA NA +PJ065764 PPNWWW C47H52N10O8 884.397 NA PeJP NA NA +PJ065765 STTTTLMM C35H64N8O14S2 884.3984 NA PeJP NA NA +PJ065766 GSSSTQRY C35H56N12O15 884.3988 NA PeJP NA NA +PJ065767 SVEEEHR C35H56N12O15 884.3989 NA PeJP NA NA +PJ065768 TLKMMMM C36H68N8O9S4 884.3992 NA PeJP NA NA +PJ065769 EMMRRY C36H60N12O10S2 884.3997 NA PeJP NA NA +PJ065770 SPDHHHR C36H52N16O11 884.4002 NA PeJP NA NA +PJ065771 APPMHFW C44H56N10O8S 884.4004 NA PeJP NA NA +PJ065772 SSSQKYW C40H56N10O13 884.4029 NA PeJP NA NA +PJ065773 GNDMHRR C33H56N16O11S 884.4036 NA PeJP NA NA +PJ065774 VMMRYW C41H60N10O8S2 884.4037 NA PeJP NA NA +MJ096880 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?4)-3-O-acetyl-?-D-2,6-dideoxy-ribo-hexopyranoside] C43H64O19 884.404179 NA MeJP NA NA +PJ065775 SNHRWW C41H52N14O9 884.4042 NA PeJP NA NA +PJ065776 SSLEMRY C37H60N10O13S 884.4062 NA PeJP NA NA +PJ065777 GGLLEEMH C37H60N10O13S 884.4063 NA PeJP NA NA +PJ065778 PKEYYW C45H56N8O11 884.4069 NA PeJP NA NA +PJ065779 GLMMMFR C38H64N10O8S3 884.4071 NA PeJP NA NA +PJ065780 QQMHRW C38H56N14O9S 884.4076 NA PeJP NA NA +PJ065781 SSSSSTTTK C33H60N10O18 884.4087 NA PeJP NA NA +PJ065782 SSSSKKMM C34H64N10O13S2 884.4096 NA PeJP NA NA +PJ065783 SNDKEHR C34H56N14O14 884.4101 NA PeJP NA NA +PJ065784 ATTLMYW C42H60N8O11S 884.4102 NA PeJP NA NA +PJ065785 PVVNMYY C42H60N8O11S 884.4103 NA PeJP NA NA +PJ065786 VFFFYY C50H56N6O9 884.4109 NA PeJP NA NA +PJ065787 GCCKRRY C35H60N14O9S2 884.411 NA PeJP NA NA +PJ065788 GNQHHHR C35H52N18O10 884.4114 NA PeJP NA NA +PJ065789 KMHHFW C43H56N12O7S 884.4116 NA PeJP NA NA +PJ065790 SSSSLLEY C38H60N8O16 884.4127 NA PeJP NA NA +PJ065791 GTTTTLEY C38H60N8O16 884.4128 NA PeJP NA NA +PJ065792 ALKEMMY C39H64N8O11S2 884.4136 NA PeJP NA NA +PJ065793 SPPNERW C39H56N12O12 884.4141 NA PeJP NA NA +PJ065794 SSNKMRY C36H60N12O12S 884.4175 NA PeJP NA NA +PJ065795 GPPDKWW C44H56N10O10 884.4181 NA PeJP NA NA +PJ065796 CQHRRW C37H56N16O8S 884.4188 NA PeJP NA NA +PJ065797 SSNEHRR C33H56N16O13 884.4213 NA PeJP NA NA +MJ096881 Asterias Neuropeptide S1 C41H60N10O10S 884.421458 NA MeJP NA NA +PJ065798 GTCKKYW C41H60N10O10S 884.4215 NA PeJP NA NA +PJ065799 ALFYWW C49H56N8O8 884.4221 NA PeJP NA NA +PJ065800 GSSSKKEY C37H60N10O15 884.424 NA PeJP NA NA +PJ065801 ATLMMRY C38H64N10O10S2 884.4249 NA PeJP NA NA +PJ065802 GSDKHRW C38H56N14O11 884.4253 NA PeJP NA NA +PJ065803 GGGGAPQRW C38H56N14O11 884.4254 NA PeJP NA NA +PJ065804 AALMFFW C46H60N8O8S 884.4255 NA PeJP NA NA +PJ065805 TTTTLYW C42H60N8O13 884.428 NA PeJP NA NA +PJ065806 PPNDMRR C35H60N14O11S 884.4287 NA PeJP NA NA +PJ065807 PCLKMFF C43H64N8O8S2 884.4289 NA PeJP NA NA +PJ065808 GSPPRWW C43H56N12O9 884.4294 NA PeJP NA NA +PJ065809 TTLKEMY C39H64N8O13S 884.4314 NA PeJP NA NA +PJ065810 VVKMMMF C40H68N8O8S3 884.4323 NA PeJP NA NA +PJ065811 APPQMRW C40H60N12O9S 884.4327 NA PeJP NA NA +PJ065812 PLHFWW C48H56N10O7 884.4334 NA PeJP NA NA +PJ065813 GSSSTKRY C36H60N12O14 884.4352 NA PeJP NA NA +PJ065814 GGGGGPVQKE C36H60N12O14 884.4353 NA PeJP NA NA +PJ065815 GCKKMRY C37H64N12O9S2 884.4361 NA PeJP NA NA +PJ065816 GSSHRRW C37H56N16O10 884.4366 NA PeJP NA NA +PJ065817 LLMHWW C45H60N10O7S 884.4368 NA PeJP NA NA +PJ065818 SSSKKYW C41H60N10O12 884.4392 NA PeJP NA NA +PJ065819 TTLLDHW C41H60N10O12 884.4393 NA PeJP NA NA +PJ065820 GTQMHRR C34H60N16O10S 884.4399 NA PeJP NA NA +PJ065821 GGATMHRR C34H60N16O10S 884.44 NA PeJP NA NA +MJ096882 3-Hydroxyspirost-25(27)-en-12-one, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] C44H68O18 884.440565 NA MeJP NA NA +MJ096883 Spirosta-5,25(27)-diene-1,3,23-triol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 23-O-?-D-glucopyranoside C44H68O18 884.440565 NA MeJP NA NA +PJ065822 GVLHHHW C42H56N14O8 884.4406 NA PeJP NA NA +PJ065823 TTTLMRY C38H64N10O12S 884.4426 NA PeJP NA NA +PJ065824 LLQYYW C46H60N8O10 884.4433 NA PeJP NA NA +MJ096884 Cholestane-3,4,6,7,8,15,24-heptol, 24-O-[6-Deoxy-2,4-di-O-methyl-?-D-glucopyranosyl-(1?2)-6-deoxy-5-O-sulfo-?-D-galactofuranoside] C41H72O18S 884.443936 NA MeJP NA NA +MJ096885 Stigmastane-3,4,6,8,15,16,29-heptol, 29-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside], 6-O-sulfate C41H72O18S 884.443936 NA MeJP NA NA +PJ065825 APPCRRW C39H60N14O8S 884.444 NA PeJP NA NA +PJ065826 APQEERR C35H60N14O13 884.4465 NA PeJP NA NA +PJ065827 APLKMYY C43H64N8O10S 884.4466 NA PeJP NA NA +PJ065828 PPLLEMW C43H64N8O10S 884.4467 NA PeJP NA NA +PJ065829 GNKHHHR C36H56N18O9 884.4478 NA PeJP NA NA +PJ065830 SSTTTLLY C39H64N8O15 884.4491 NA PeJP NA NA +PJ065831 GPVLLEEE C39H64N8O15 884.4492 NA PeJP NA NA +PJ065832 SLLKMMY C40H68N8O10S2 884.45 NA PeJP NA NA +PJ065833 GPLQERW C40H60N12O11 884.4505 NA PeJP NA NA +PJ065834 GTCHRRR C33H60N18O9S 884.4512 NA PeJP NA NA +PJ065835 LHHHRW C41H56N16O7 884.4518 NA PeJP NA NA +PJ065836 STCKKRY C37H64N12O11S 884.4538 NA PeJP NA NA +PJ065837 SLLEMHR C37H64N12O11S 884.4539 NA PeJP NA NA +PJ065838 APPTKWW C45H60N10O9 884.4545 NA PeJP NA NA +PJ065839 CKHRRW C38H60N16O7S 884.4552 NA PeJP NA NA +PJ065840 GPDERRR C34H60N16O12 884.4577 NA PeJP NA NA +PJ065841 SVLLMHW C42H64N10O9S 884.4579 NA PeJP NA NA +PJ065842 GSTTTKKY C38H64N10O14 884.4604 NA PeJP NA NA +PJ065843 CCLKKKY C39H68N10O9S2 884.4612 NA PeJP NA NA +PJ065844 GKKKMMY C39H68N10O9S2 884.4613 NA PeJP NA NA +PJ065845 AAPERRW C39H60N14O10 884.4617 NA PeJP NA NA +PJ065846 PVLLEEW C43H64N8O12 884.4644 NA PeJP NA NA +PJ065847 PPTQMRR C36H64N14O10S 884.4651 NA PeJP NA NA +PJ065848 PLQRWW C44H60N12O8 884.4657 NA PeJP NA NA +PJ065849 GAPLRWW C44H60N12O8 884.4658 NA PeJP NA NA +PJ065850 SPPVLLEM C40H68N8O12S 884.4678 NA PeJP NA NA +PJ065851 SSSHRRR C33H60N18O11 884.4689 NA PeJP NA NA +PJ065852 APPKMRW C41H64N12O8S 884.4691 NA PeJP NA NA +PJ065853 PVQKEER C37H64N12O13 884.4716 NA PeJP NA NA +PJ065854 GGGGGGGGALLL C37H64N12O13 884.4717 NA PeJP NA NA +PJ065855 VVLMMHR C38H68N12O8S2 884.4725 NA PeJP NA NA +PJ065856 PDRRRW C38H60N16O9 884.473 NA PeJP NA NA +PJ065857 PPTKKEW C42H64N10O11 884.4756 NA PeJP NA NA +PJ065858 GGPVLKEW C42H64N10O11 884.4757 NA PeJP NA NA +PJ065859 PPTCRRR C35H64N16O9S 884.4763 NA PeJP NA NA +MJ096886 3,20-Dihydroxy-30-nor-12-oleanen-28-oic acid, 3-O-[?-L-Xylopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?3)]-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +MJ096887 Nuatigenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +MJ096888 Polypodogenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-L-rhamnopyranoside C45H72O17 884.47695 NA MeJP NA NA +MJ096889 Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +MJ096890 Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +MJ096891 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +MJ096892 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +MJ096893 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +MJ096894 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +MJ096895 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +MJ096896 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +MJ096897 Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +MJ096898 Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +MJ096899 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +MJ096900 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +MJ096901 Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +MJ096902 Spirost-5-ene-2,3-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +MJ096903 Spirost-5-ene-3,17-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +MJ096904 Spirost-5-ene-3,26-diol, 26-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C45H72O17 884.47695 NA MeJP NA NA +C08894 Deltonin C45H72O17 884.477 NA KEGG NA NA +C08901 Gracillin C45H72O17 884.477 NA KEGG NA NA +PJ065860 STKKKMY C39H68N10O11S 884.479 NA PeJP NA NA +PJ065861 LLKYYW C47H64N8O9 884.4797 NA PeJP NA NA +PJ065862 KKMHRW C40H64N14O7S 884.4804 NA PeJP NA NA +PJ065863 SPLQERR C36H64N14O12 884.4828 NA PeJP NA NA +PJ065864 APKEERR C36H64N14O12 884.4829 NA PeJP NA NA +MJ096905 Cycloamanide D C44H68N8O9S 884.482996 NA MeJP NA NA +PJ065865 ALLKMFY C44H68N8O9S 884.483 NA PeJP NA NA +PJ065866 NHFRRR C37H60N18O8 884.4842 NA PeJP NA NA +PJ065867 APTLLLEE C40H68N8O14 884.4855 NA PeJP NA NA +PJ065868 APPLLLMM C41H72N8O9S2 884.4864 NA PeJP NA NA +PJ065869 GPLKERW C41H64N12O10 884.4869 NA PeJP NA NA +PJ065870 PLLQQMR C38H68N12O10S 884.4902 NA PeJP NA NA +PJ065871 PPKKEMR C38H68N12O10S 884.4903 NA PeJP NA NA +PJ065872 GPVLKWW C46H64N10O8 884.4909 NA PeJP NA NA +PJ065873 APTERRR C35H64N16O11 884.4941 NA PeJP NA NA +PJ065874 PPVKKMW C43H68N10O8S 884.4943 NA PeJP NA NA +PJ065875 STTTLLLH C39H68N10O13 884.4968 NA PeJP NA NA +PJ065876 LLLKMMH C40H72N10O8S2 884.4976 NA PeJP NA NA +PJ065877 GPTLRRW C40H64N14O9 884.4981 NA PeJP NA NA +PJ065878 SVLLKYY C44H68N8O11 884.5008 NA PeJP NA NA +PJ065879 PPTKMRR C37H68N14O9S 884.5015 NA PeJP NA NA +PJ065880 PLKRWW C45H64N12O7 884.5021 NA PeJP NA NA +PJ065881 GPLLLLEM C41H72N8O11S 884.5042 NA PeJP NA NA +PJ065882 AAQQRRR C34H64N18O10 884.5053 NA PeJP NA NA +MJ096906 12-Hydroxydaphnetoxin; 12?-form, 12-(2Z,4Z,6Z-Decatrienoyl), 20-hexadecanoyl C53H72O11 884.507463 NA MeJP NA NA +PJ065883 PVKKEER C38H68N12O12 884.508 NA PeJP NA NA +PJ065884 GPPFRRR C39H64N16O8 884.5094 NA PeJP NA NA +PJ065885 PVVKKEW C43H68N10O10 884.512 NA PeJP NA NA +PJ065886 GPLMRRR C36H68N16O8S 884.5127 NA PeJP NA NA +MJ096907 12-Oleanene-3,16,28-triol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?4)-?-D-glucopyranoside] C46H76O16 884.513336 NA MeJP NA NA +MJ096908 3,20,21-Trihydroxydammar-24-en-19-al, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] C46H76O16 884.513336 NA MeJP NA NA +PJ065887 APPTLKKM C40H72N10O10S 884.5154 NA PeJP NA NA +PJ065888 ALLKFFF C48H68N8O8 884.516 NA PeJP NA NA +PJ065889 PPLLLFW C48H68N8O8 884.5161 NA PeJP NA NA +PJ065890 NQRRRR C33H64N20O9 884.5166 NA PeJP NA NA +2580 tenecin-1 (35-43) NGKRVCVCRG 884.5169 antibacterial Inhouse_peptide NA peptide +2581 tenecin-1 (34-43) CNGKRVCVCRG 884.5169 antibacterial Inhouse_peptide NA peptide +PJ065891 SPLKERR C37H68N14O11 884.5192 NA PeJP NA NA +PJ065892 GAALLERR C37H68N14O11 884.5193 NA PeJP NA NA +PJ065893 PLLLLMW C45H72N8O8S 884.5194 NA PeJP NA NA +PJ065894 GVLLLLEE C41H72N8O13 884.5219 NA PeJP NA NA +PJ065895 SPVLKRW C42H68N12O9 884.5233 NA PeJP NA NA +MJ096909 Foromacidin A; 3-Ac C45H76N2O15 884.524569 NA MeJP NA NA +C12891 Acetylspiramycin C45H76N2O15 884.5246 NA KEGG NA NA +C12892 Transferred to D01445 C45H76N2O15 884.5246 NA KEGG NA NA +PJ065896 PLLQKMR C39H72N12O9S 884.5266 NA PeJP NA NA +PJ065897 GVLERRR C36H68N16O10 884.5305 NA PeJP NA NA +PJ065898 ATLLLLNQ C40H72N10O12 884.5331 NA PeJP NA NA +PJ065899 LLLLEER C40H72N10O12 884.5332 NA PeJP NA NA +PJ065900 AALLRRW C41H68N14O8 884.5345 NA PeJP NA NA +PJ065901 VLLLLEW C45H72N8O10 884.5372 NA PeJP NA NA +PJ065902 PVVKMRR C38H72N14O8S 884.5379 NA PeJP NA NA +PJ065903 SPVLLLLM C42H76N8O10S 884.5406 NA PeJP NA NA +HMDB09795 PI(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C47H81O13P 884.541504 NA HMDB2010 NA NA +HMDB09796 PI(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C47H81O13P 884.541504 NA HMDB2010 NA NA +HMDB09804 PI(16:2(9Z,12Z)/22:3(10Z,13Z,16Z)) C47H81O13P 884.541504 NA HMDB2010 NA NA +HMDB09832 PI(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C47H81O13P 884.541504 NA HMDB2010 NA NA +HMDB09833 PI(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C47H81O13P 884.541504 NA HMDB2010 NA NA +HMDB09844 PI(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C47H81O13P 884.541504 NA HMDB2010 NA NA +HMDB09845 PI(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C47H81O13P 884.541504 NA HMDB2010 NA NA +HMDB09854 PI(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)) C47H81O13P 884.541504 NA HMDB2010 NA NA +HMDB09855 PI(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)) C47H81O13P 884.541504 NA HMDB2010 NA NA +HMDB09883 PI(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)) C47H81O13P 884.541504 NA HMDB2010 NA NA +HMDB09890 PI(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) C47H81O13P 884.541504 NA HMDB2010 NA NA +HMDB09895 PI(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)) C47H81O13P 884.541504 NA HMDB2010 NA NA +HMDB09896 PI(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) C47H81O13P 884.541504 NA HMDB2010 NA NA +HMDB09901 PI(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)) C47H81O13P 884.541504 NA HMDB2010 NA NA +HMDB09902 PI(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)) C47H81O13P 884.541504 NA HMDB2010 NA NA +HMDB09908 PI(22:3(10Z,13Z,16Z)/16:2(9Z,12Z)) C47H81O13P 884.541504 NA HMDB2010 NA NA +HMDB09916 PI(22:5(4Z,7Z,10Z,13Z,16Z)/16:0) C47H81O13P 884.541504 NA HMDB2010 NA NA +HMDB09918 PI(22:5(7Z,10Z,13Z,16Z,19Z)/16:0) C47H81O13P 884.541504 NA HMDB2010 NA NA +PJ065904 LERRRR C35H68N18O9 884.5417 NA PeJP NA NA +PJ065905 VLLQKER C39H72N12O11 884.5444 NA PeJP NA NA +PJ065906 VLRRRW C40H68N16O7 884.5457 NA PeJP NA NA +PJ065907 PTLLKKW C44H72N10O9 884.5484 NA PeJP NA NA +MJ096910 Antibiotic A 80789 C47H80O15 884.549721 NA MeJP NA NA +MJ096911 Carriomycin C47H80O15 884.549721 NA MeJP NA NA +MJ096912 Maduramicin ? C47H80O15 884.549721 NA MeJP NA NA +MJ096913 Nanhumycin C47H80O15 884.549721 NA MeJP NA NA +PJ065908 GPVLLKKM C41H76N10O9S 884.5518 NA PeJP NA NA +PJ065909 NKRRRR C34H68N20O8 884.5529 NA PeJP NA NA +PJ065910 GGKRRRR C34H68N20O8 884.553 NA PeJP NA NA +PJ065911 ALLKERR C38H72N14O10 884.5556 NA PeJP NA NA +PJ065912 ATLLLLLE C42H76N8O12 884.5583 NA PeJP NA NA +PJ065913 AVLLKRW C43H72N12O8 884.5596 NA PeJP NA NA +PJ065914 GLLLKRW C43H72N12O8 884.5597 NA PeJP NA NA +PJ065915 PLLKKMR C40H76N12O8S 884.563 NA PeJP NA NA +PJ065916 ATLLRRR C37H72N16O9 884.5669 NA PeJP NA NA +PJ065917 AALLLKKE C41H76N10O11 884.5695 NA PeJP NA NA +PJ065918 GVVLLKKE C41H76N10O11 884.5696 NA PeJP NA NA +PJ065919 GPLLLLLF C46H76N8O9 884.5736 NA PeJP NA NA +PJ065920 GLLLLLLM C43H80N8O9S 884.5769 NA PeJP NA NA +PJ065921 AAKKRRR C36H72N18O8 884.5781 NA PeJP NA NA +PJ065922 VLLKKER C40H76N12O10 884.5808 NA PeJP NA NA +PJ065923 VVLLKKW C45H76N10O8 884.5848 NA PeJP NA NA +MJ096914 Alborixin C48H84O14 884.586107 NA MeJP NA NA +PJ065924 SLLLKRR C39H76N14O9 884.592 NA PeJP NA NA +PJ065925 STLLLLLL C43H80N8O11 884.5947 NA PeJP NA NA +PJ065926 GLKKKRR C38H76N16O8 884.6032 NA PeJP NA NA +PJ065927 GTLLLLKK C42H80N10O10 884.6059 NA PeJP NA NA +PJ065928 LLQKKKK C41H80N12O9 884.6172 NA PeJP NA NA +PJ065929 VVKKKKR C40H80N14O8 884.6284 NA PeJP NA NA +PJ065930 LLKKKKK C42H84N12O8 884.6536 NA PeJP NA NA +MJ096915 2-Amino-17-methyl-1,3,4-octadecanetriol, N-Tetracosanoyl, 1-O-(2-acetamido-2-deoxy-?-D-glucopyranoside) C51H100N2O9 884.742882 NA MeJP NA NA +HMDB05389 TG(16:0/18:2(9Z,12Z)/20:1(11Z))[iso6] C57H104O6 884.78326 http://www.hmdb.ca/metabolites/HMDB05389 HMDB NA NA +HMDB05405 TG(18:0/18:1(9Z)/18:2(9Z,12Z))[iso6] C57H104O6 884.78326 http://www.hmdb.ca/metabolites/HMDB05405 HMDB NA NA +HMDB05439 TG(16:1(9Z)/18:1(9Z)/20:1(11Z))[iso6] C57H104O6 884.78326 http://www.hmdb.ca/metabolites/HMDB05439 HMDB NA NA +HMDB05444 TG(16:1(9Z)/18:2(9Z,12Z)/20:0)[iso6] C57H104O6 884.78326 http://www.hmdb.ca/metabolites/HMDB05444 HMDB NA NA +HMDB05453 Triolein C57H104O6 884.78326 http://www.hmdb.ca/metabolites/HMDB05453 HMDB NA NA +HMDB05389 TG(16:0/18:2(9Z,12Z)/20:1(11Z))[iso6] C57H104O6 884.78326 HMDB05389 PFEM_hmdb_metabocards_official NA NA +HMDB05405 TG(18:0/18:1(9Z)/18:2(9Z,12Z))[iso6] C57H104O6 884.78326 HMDB05405 PFEM_hmdb_metabocards_official NA NA +HMDB05439 TG(16:1(9Z)/18:1(9Z)/20:1(11Z))[iso6] C57H104O6 884.78326 HMDB05439 PFEM_hmdb_metabocards_official NA NA +HMDB05444 TG(16:1(9Z)/18:2(9Z,12Z)/20:0)[iso6] C57H104O6 884.78326 HMDB05444 PFEM_hmdb_metabocards_official NA NA +HMDB05453 Triolein C57H104O6 884.78326 HMDB05453 PFEM_hmdb_metabocards_official NA NA +HMDB05389 TG(16:0/18:2(9Z,12Z)/20:1(11Z))[iso6] C57H104O6 884.783264 NA HMDB2010 NA NA +HMDB05405 TG(18:0/18:1(9Z)/18:2(9Z,12Z))[iso6] C57H104O6 884.783264 NA HMDB2010 NA NA +HMDB05439 TG(16:1(9Z)/18:1(9Z)/20:1(11Z))[iso6] C57H104O6 884.783264 NA HMDB2010 NA NA +HMDB05444 TG(16:1(9Z)/18:2(9Z,12Z)/20:0)[iso6] C57H104O6 884.783264 NA HMDB2010 NA NA +HMDB05453 TG(18:1(9Z)/18:1(9Z)/18:1(9Z))[iso] C57H104O6 884.783264 NA HMDB2010 NA NA +HMDB10447 TG(18:1(11Z)/18:0/18:2(9Z,12Z))[iso6] C57H104O6 884.783264 NA HMDB2010 NA NA +HMDB10452 TG(18:1(9Z)/16:0/20:2(11Z,14Z))[iso6] C57H104O6 884.783264 NA HMDB2010 NA NA +HMDB10457 TG(18:1(9Z)/18:1(11Z)/18:1(9Z))[iso3] C57H104O6 884.783264 NA HMDB2010 NA NA +MJ096916 Glycerol tri-6-octadecenoate C57H104O6 884.783291 NA MeJP NA NA +MJ096917 Glycerol tri-9-octadecenoate C57H104O6 884.783291 NA MeJP NA NA +5417 NA KWKLFKKIGAVLKVL 885.0735 MH2+ Inhouse_peptide NA peptide +HMDB06503 Phenylacetyl-CoA C29H42N7O17P3S 885.15704 http://www.hmdb.ca/metabolites/HMDB06503 HMDB NA NA +HMDB06503 Phenylacetyl-CoA C29H42N7O17P3S 885.15704 HMDB06503 PFEM_hmdb_metabocards_official NA NA +MJ096918 Phenylacetyl-CoA C29H42N7O17P3S 885.157073 NA MeJP NA NA +MetaCyc04239 3-methylbenzoyl-CoA [] C29H42N7O17P3S1 885.157073 NA metacyc NA NA +MetaCyc04240 phenylacetyl-CoA [phenylacetate-CoA;] C29H42N7O17P3S1 885.157073 NA metacyc NA NA +C00582 Phenylacetyl-CoA C29H42N7O17P3S 885.1571 NA KEGG NA NA +HMDB06503 Phenylacetyl-CoA C29H42N7O17P3S 885.157104 NA HMDB2010 NA NA +HMDB11636 Salicyl CoA C29H42N7O17P3S 885.157104 NA HMDB2010 NA NA +PJ065931 SCCCCCQH C29H47N11O11S5 885.206 NA PeJP NA NA +PJ065932 GGTCCCCCH C29H47N11O11S5 885.2061 NA PeJP NA NA +PJ065933 SCCNDDDD C29H43N9O19S2 885.2117 NA PeJP NA NA +PJ065934 PCCCCNDE C30H47N9O14S4 885.2126 NA PeJP NA NA +PJ065935 CCCCEYY C35H47N7O12S4 885.2166 NA PeJP NA NA +PJ065936 GSSSCCCCH C29H47N11O13S4 885.2238 NA PeJP NA NA +PJ065937 GPCCCCDW C34H47N9O11S4 885.2278 NA PeJP NA NA +PJ065938 GCCNDDEM C30H47N9O16S3 885.2303 NA PeJP NA NA +PJ065939 GPPTCCCCC C31H51N9O11S5 885.2312 NA PeJP NA NA +PJ065940 GCCCCNHF C33H47N11O10S4 885.2391 NA PeJP NA NA +PJ065941 GCCCDDDR C29H47N11O15S3 885.2416 NA PeJP NA NA +PJ065942 SCCCCCKH C30H51N11O10S5 885.2424 NA PeJP NA NA +PJ065943 CCNDDMW C34H47N9O13S3 885.2456 NA PeJP NA NA +PJ065944 SSCNDDDM C30H47N9O18S2 885.2481 NA PeJP NA NA +PJ065945 SPCCCNEM C31H51N9O13S4 885.249 NA PeJP NA NA +PJ065946 CCMMMMH C32H55N9O8S6 885.2498 NA PeJP NA NA +PJ065947 DDDDDEY C34H43N7O21 885.2512 NA PeJP NA NA +PJ065948 TCCCMYY C36H51N7O11S4 885.253 NA PeJP NA NA +PJ065949 DDDEMMM C32H51N7O16S3 885.2555 NA PeJP NA NA +PJ065950 GSCCCNNW C33H47N11O12S3 885.2568 NA PeJP NA NA +PJ065951 GSSSCCNND C29H47N11O17S2 885.2593 NA PeJP NA NA +PJ065952 SPCCCCDR C30H51N11O12S4 885.2602 NA PeJP NA NA +PJ065953 GCCCEWW C38H47N9O10S3 885.2608 NA PeJP NA NA +PJ065954 GSSCCDEW C34H47N9O15S2 885.2633 NA PeJP NA NA +PJ065955 GGGPCCDDY C34H47N9O15S2 885.2634 NA PeJP NA NA +PJ065956 GSPCCCMW C35H51N9O10S4 885.2642 NA PeJP NA NA +PJ065957 GSSSSCDDE C30H47N9O20S 885.2658 NA PeJP NA NA +PJ065958 GSCNDEMM C31H51N9O15S3 885.2667 NA PeJP NA NA +PJ065959 GCCDYYY C39H47N7O13S2 885.2674 NA PeJP NA NA +PJ065960 GPCCNMMM C32H55N9O10S5 885.2676 NA PeJP NA NA +PJ065961 DDDDEMF C35H47N7O18S 885.2699 NA PeJP NA NA +PJ065962 GCCCCNQR C29H51N13O11S4 885.2714 NA PeJP NA NA +PJ065963 GCCNNNDF C33H47N11O14S2 885.2746 NA PeJP NA NA +PJ065964 CCCWWW C42H47N9O7S3 885.2761 NA PeJP NA NA +PJ065965 SSCCNNQM C30H51N11O14S3 885.2779 NA PeJP NA NA +PJ065966 GSCCDDMR C30H51N11O14S3 885.278 NA PeJP NA NA +PJ065967 SSCCDWW C38H47N9O12S2 885.2786 NA PeJP NA NA +PJ065968 APCCCCMR C31H55N11O9S5 885.2788 NA PeJP NA NA +PJ065969 SSSSCDDW C34H47N9O17S 885.2811 NA PeJP NA NA +PJ065970 SCNDMMW C35H51N9O12S3 885.282 NA PeJP NA NA +PJ065971 CCCHHHF C36H47N13O8S3 885.2833 NA PeJP NA NA +PJ065972 SSSSSSDDD C30H47N9O22 885.2836 NA PeJP NA NA +PJ065973 SSSNDDMM C31H51N9O17S2 885.2845 NA PeJP NA NA +PJ065974 NNDMMMM C32H55N9O12S4 885.2853 NA PeJP NA NA +PJ065975 GGGGDMMMM C32H55N9O12S4 885.2854 NA PeJP NA NA +PJ065976 GSCCNEHH C32H47N13O13S2 885.2858 NA PeJP NA NA +PJ065977 GCCMFYY C40H51N7O10S3 885.286 NA PeJP NA NA +PJ065978 SDDEEEY C35H47N7O20 885.2876 NA PeJP NA NA +PJ065979 PDDDMMY C36H51N7O15S2 885.2885 NA PeJP NA NA +PJ065980 SSCCCNNR C29H51N13O13S3 885.2892 NA PeJP NA NA +PJ065981 SEEEMMM C33H55N7O15S3 885.2919 NA PeJP NA NA +PJ065982 GSCNNNDY C33H47N11O16S 885.2923 NA PeJP NA NA +PJ065983 GGGGGGGSCDY C33H47N11O16S 885.2924 NA PeJP NA NA +PJ065984 PDMMMMM C34H59N7O10S5 885.2927 NA PeJP NA NA +PJ065985 SCCCERW C34H51N11O11S3 885.2932 NA PeJP NA NA +PJ065986 SSSCCDER C30H51N11O16S2 885.2957 NA PeJP NA NA +PJ065987 ACNDDYW C38H47N9O14S 885.2963 NA PeJP NA NA +PJ065988 GCNDEYW C38H47N9O14S 885.2964 NA PeJP NA NA +PJ065989 CCNEMMR C31H55N11O11S4 885.2966 NA PeJP NA NA +PJ065990 GTCCMWW C39H51N9O9S3 885.2972 NA PeJP NA NA +PJ065991 GSSNDDEY C34H47N9O19 885.2989 NA PeJP NA NA +PJ065992 GSSSCEMW C35H51N9O14S2 885.2997 NA PeJP NA NA +PJ065993 GCQMMMW C36H55N9O9S4 885.3006 NA PeJP NA NA +PJ065994 SCCNHHW C36H47N13O10S2 885.3011 NA PeJP NA NA +PJ065995 GSSSSSDEM C31H51N9O19S 885.3022 NA PeJP NA NA +PJ065996 PDDDDFY C39H47N7O17 885.3029 NA PeJP NA NA +PJ065997 GSSNEMMM C32H55N9O14S3 885.3031 NA PeJP NA NA +PJ065998 SSSCNDHH C32H47N13O15S 885.3036 NA PeJP NA NA +PJ065999 GSCMYYY C40H51N7O12S2 885.3037 NA PeJP NA NA +PJ066000 APCCCKMM C33H59N9O9S5 885.304 NA PeJP NA NA +PJ066001 CNNMMHH C33H51N13O10S3 885.3044 NA PeJP NA NA +PJ066002 GGGGCMMHH C33H51N13O10S3 885.3045 NA PeJP NA NA +PJ066003 ADEEEMY C36H51N7O17S 885.3062 NA PeJP NA NA +PJ066004 GEEEEMY C36H51N7O17S 885.3063 NA PeJP NA NA +PJ066005 PDDMMMF C37H55N7O12S3 885.3071 NA PeJP NA NA +PJ066006 PCNDDHW C37H47N11O13S 885.3076 NA PeJP NA NA +PJ066007 CCCDMRR C30H55N13O10S4 885.3078 NA PeJP NA NA +PJ066008 NNDEEEH C33H47N11O18 885.3101 NA PeJP NA NA +PJ066009 VDEMMMM C34H59N7O12S4 885.3105 NA PeJP NA NA +PJ066010 CNNNQMY C34H51N11O13S2 885.3109 NA PeJP NA NA +PJ066011 GGCNNQMY C34H51N11O13S2 885.311 NA PeJP NA NA +PJ066012 CNDYWW C42H47N9O11S 885.3116 NA PeJP NA NA +PJ066013 GCCMMRW C35H55N11O8S4 885.3118 NA PeJP NA NA +PJ066014 SSSSSSCNQ C30H51N11O18S 885.3134 NA PeJP NA NA +PJ066015 GGSSSSSSCQ C30H51N11O18S 885.3135 NA PeJP NA NA +PJ066016 SSNDDYW C38H47N9O16 885.3141 NA PeJP NA NA +PJ066017 GSSCDMMR C31H55N11O13S3 885.3143 NA PeJP NA NA +PJ066018 GCNNNNNH C31H47N15O14S 885.3148 NA PeJP NA NA +PJ066019 SSSCMWW C39H51N9O11S2 885.315 NA PeJP NA NA +PJ066020 CCCQHHR C32H51N15O9S3 885.3157 NA PeJP NA NA +PJ066021 SSSSSDMW C35H51N9O16S 885.3175 NA PeJP NA NA +PJ066022 SSNMMMW C36H55N9O11S3 885.3183 NA PeJP NA NA +PJ066023 GGSSMMMW C36H55N9O11S3 885.3184 NA PeJP NA NA +PJ066024 CNNDHHF C36H47N13O12S 885.3188 NA PeJP NA NA +PJ066025 GCCFFFY C44H51N7O9S2 885.319 NA PeJP NA NA +PJ066026 SSSSSSSEE C31H51N9O21 885.32 NA PeJP NA NA +PJ066027 SSSSQEMM C32H55N9O16S2 885.3208 NA PeJP NA NA +PJ066028 GGSSSTEMM C32H55N9O16S2 885.3209 NA PeJP NA NA +PJ066029 NDDDDHR C32H47N13O17 885.3213 NA PeJP NA NA +PJ066030 GGGGGGGSDEH C32H47N13O17 885.3214 NA PeJP NA NA +PJ066031 EEEMYW C40H51N7O14S 885.3215 NA PeJP NA NA +PJ066032 SQQMMMM C33H59N9O11S4 885.3217 NA PeJP NA NA +PJ066033 CCNNNRY C33H51N13O12S2 885.3222 NA PeJP NA NA +PJ066034 STEEEEY C36H51N7O19 885.324 NA PeJP NA NA +PJ066035 SPEEMMY C37H55N7O14S2 885.3249 NA PeJP NA NA +PJ066036 ANDDEHW C37H47N11O15 885.3253 NA PeJP NA NA +PJ066037 GNDEEHW C37H47N11O15 885.3254 NA PeJP NA NA +PJ066038 GCCDFRW C38H51N11O10S2 885.3262 NA PeJP NA NA +PJ066039 SCNDERY C34H51N11O15S 885.3287 NA PeJP NA NA +PJ066040 STCCMRW C35H55N11O10S3 885.3296 NA PeJP NA NA +PJ066041 SCEHHHH C35H47N15O11S 885.3301 NA PeJP NA NA +PJ066042 CNMFWW C43H51N9O8S2 885.3302 NA PeJP NA NA +PJ066043 GSSSSSSSSN C30H51N11O20 885.3312 NA PeJP NA NA +PJ066044 SSSSCEMR C31H55N11O15S2 885.3321 NA PeJP NA NA +PJ066045 GSNEMYW C39H51N9O13S 885.3327 NA PeJP NA NA +PJ066046 GPPPCDDW C39H51N9O13S 885.3328 NA PeJP NA NA +PJ066047 SCQMMMR C32H59N11O10S4 885.3329 NA PeJP NA NA +PJ066048 TCNMMMR C32H59N11O10S4 885.333 NA PeJP NA NA +PJ066049 GSSCCHHR C32H51N15O11S2 885.3334 NA PeJP NA NA +PJ066050 PCCCKFW C40H55N9O8S3 885.3336 NA PeJP NA NA +PJ066051 GSSSQEEY C35H51N9O18 885.3352 NA PeJP NA NA +PJ066052 LDDEEEH C35H51N9O18 885.3353 NA PeJP NA NA +PJ066053 GSSSTMMW C36H55N9O13S2 885.3361 NA PeJP NA NA +PJ066054 SNNNDHW C36H47N13O14 885.3366 NA PeJP NA NA +PJ066055 CQFYYY C44H51N7O11S 885.3367 NA PeJP NA NA +PJ066056 GACFYYY C44H51N7O11S 885.3368 NA PeJP NA NA +PJ066057 GCKMMMW C37H59N9O8S4 885.337 NA PeJP NA NA +PJ066058 GSSSSTTEM C32H55N9O18S 885.3386 NA PeJP NA NA +PJ066059 GPEEEYY C40H51N7O16 885.3393 NA PeJP NA NA +PJ066060 GSSDKMMM C33H59N9O13S3 885.3395 NA PeJP NA NA +PJ066061 SSSSNMHH C33H51N13O14S 885.3399 NA PeJP NA NA +PJ066062 GSPCDDHR C33H51N13O14S 885.34 NA PeJP NA NA +PJ066063 PPCEMFY C41H55N7O11S2 885.3401 NA PeJP NA NA +PJ066064 NDEHWW C41H47N11O12 885.3406 NA PeJP NA NA +PJ066065 APPCCCHR C34H55N13O9S3 885.3408 NA PeJP NA NA +PJ066066 SVEEEMY C37H55N7O16S 885.3426 NA PeJP NA NA +PJ066067 PVDMMMY C38H59N7O11S3 885.3435 NA PeJP NA NA +PJ066068 GSCDRYW C38H51N11O12S 885.344 NA PeJP NA NA +PJ066069 SCCMMRR C31H59N13O9S4 885.3442 NA PeJP NA NA +PJ066070 GSSSDDRY C34H51N11O17 885.3465 NA PeJP NA NA +PJ066071 TLEMMMM C35H63N7O11S4 885.3469 NA PeJP NA NA +PJ066072 GNDMMRY C35H55N11O12S2 885.3473 NA PeJP NA NA +PJ066073 GGGDMMRY C35H55N11O12S2 885.3474 NA PeJP NA NA +PJ066074 SNMYWW C43H51N9O10S 885.348 NA PeJP NA NA +PJ066075 GMMHHHH C36H51N15O8S2 885.3487 NA PeJP NA NA +PJ066076 SSSSSSCNK C31H55N11O17S 885.3498 NA PeJP NA NA +PJ066077 SSSQEYW C39H51N9O15 885.3505 NA PeJP NA NA +PJ066078 GSSSMMMR C32H59N11O12S3 885.3507 NA PeJP NA NA +PJ066079 CNNNEHR C32H51N15O13S 885.3512 NA PeJP NA NA +PJ066080 QQMMYW C40H55N9O10S2 885.3514 NA PeJP NA NA +PJ066081 CCCKHHR C33H55N15O8S3 885.3521 NA PeJP NA NA +PJ066082 SSSSTTMW C36H55N9O15S 885.3539 NA PeJP NA NA +PJ066083 PEEYYW C44H51N7O13 885.3545 NA PeJP NA NA +PJ066084 STCKMMW C37H59N9O10S3 885.3547 NA PeJP NA NA +PJ066085 GGGGVMMMF C37H59N9O10S3 885.3548 NA PeJP NA NA +PJ066086 GNNQMHW C37H51N13O11S 885.3552 NA PeJP NA NA +PJ066087 GDHWWW C45H47N11O9 885.3559 NA PeJP NA NA +PJ066088 SSSSSTTTE C32H55N9O20 885.3563 NA PeJP NA NA +PJ066089 SSSSKEMM C33H59N9O15S2 885.3572 NA PeJP NA NA +PJ066090 SNDEEHR C33H51N13O16 885.3577 NA PeJP NA NA +PJ066091 GGGGGGGGGGAPE C33H51N13O16 885.3578 NA PeJP NA NA +PJ066092 SPPEMYY C41H55N7O13S 885.3579 NA PeJP NA NA +PJ066093 SQKMMMM C34H63N9O10S4 885.3581 NA PeJP NA NA +PJ066094 GCCERRY C34H55N13O11S2 885.3586 NA PeJP NA NA +PJ066095 NNNNHHH C34H47N17O12 885.359 NA PeJP NA NA +PJ066096 GGNNNHHH C34H47N17O12 885.3591 NA PeJP NA NA +PJ066097 GPTCHWW C42H51N11O9S 885.3592 NA PeJP NA NA +PJ066098 ALEEMMY C38H59N7O13S2 885.3613 NA PeJP NA NA +PJ066099 GTQEEHW C38H51N11O14 885.3617 NA PeJP NA NA +PJ066100 GGGGGSPPDW C38H51N11O14 885.3618 NA PeJP NA NA +PJ066101 PVMMMMF C39H63N7O8S4 885.3621 NA PeJP NA NA +PJ066102 CQMRYW C39H55N11O9S2 885.3626 NA PeJP NA NA +PJ066103 GDHHHHF C39H47N15O10 885.3631 NA PeJP NA NA +PJ066104 CHFFFW C47H51N9O7S 885.3633 NA PeJP NA NA +PJ066105 SSNEMRY C35H55N11O14S 885.3651 NA PeJP NA NA +PJ066106 VLMMMMM C36H67N7O8S5 885.3655 NA PeJP NA NA +PJ066107 GSSTYWW C43H51N9O12 885.3657 NA PeJP NA NA +PJ066108 GPPDEWW C43H51N9O12 885.3658 NA PeJP NA NA +PJ066109 GNMMMFR C36H59N11O9S3 885.366 NA PeJP NA NA +PJ066110 GCNNHRW C36H51N15O10S 885.3664 NA PeJP NA NA +PJ066111 GGGCNHRW C36H51N15O10S 885.3665 NA PeJP NA NA +PJ066112 SSSSTMMR C32H59N11O14S2 885.3685 NA PeJP NA NA +PJ066113 GSSNNDHR C32H51N15O15 885.3689 NA PeJP NA NA +PJ066114 GGGSSNDHR C32H51N15O15 885.369 NA PeJP NA NA +PJ066115 GSDKMYW C40H55N9O12S 885.3691 NA PeJP NA NA +PJ066116 SCKMMMR C33H63N11O9S4 885.3693 NA PeJP NA NA +PJ066117 ACCCCKKK C33H63N11O9S4 885.3694 NA PeJP NA NA +PJ066118 PCCDHRR C33H55N15O10S2 885.3698 NA PeJP NA NA +PJ066119 GSSSKEEY C36H55N9O17 885.3716 NA PeJP NA NA +PJ066120 GQKEMMY C37H59N9O12S2 885.3725 NA PeJP NA NA +PJ066121 GSDEHRW C37H51N13O13 885.373 NA PeJP NA NA +PJ066122 CKFYYY C45H55N7O10S 885.3731 NA PeJP NA NA +PJ066123 PPCEFFF C45H55N7O10S 885.3732 NA PeJP NA NA +PJ066124 CCRRYW C38H55N13O8S2 885.3738 NA PeJP NA NA +PJ066125 SSSSSSTLM C33H59N9O17S 885.375 NA PeJP NA NA +PJ066126 SPVEEYY C41H55N7O15 885.3756 NA PeJP NA NA +PJ066127 GLEEEFY C41H55N7O15 885.3757 NA PeJP NA NA +PJ066128 GSTTKMMM C34H63N9O12S3 885.3759 NA PeJP NA NA +PJ066129 SSCDRRY C34H55N13O13S 885.3763 NA PeJP NA NA +PJ066130 GGAEEMHR C34H55N13O13S 885.3764 NA PeJP NA NA +PJ066131 PPCLMYY C42H59N7O10S2 885.3765 NA PeJP NA NA +PJ066132 TQEHWW C42H51N11O11 885.377 NA PeJP NA NA +PJ066133 ACCMFRR C35H59N13O8S3 885.3772 NA PeJP NA NA +PJ066134 TTLEEMY C38H59N7O15S 885.379 NA PeJP NA NA +PJ066135 PTLMMMY C39H63N7O10S3 885.3799 NA PeJP NA NA +PJ066136 GSSMRYW C39H55N11O11S 885.3804 NA PeJP NA NA +PJ066137 PPDWWW C47H51N9O9 885.381 NA PeJP NA NA +PJ066138 SSSSNNKY C35H55N11O16 885.3828 NA PeJP NA NA +PJ066139 GSSSTERY C35H55N11O16 885.3829 NA PeJP NA NA +PJ066140 GTQMMRY C36H59N11O11S2 885.3837 NA PeJP NA NA +PJ066141 AQQEHHH C36H51N15O12 885.3842 NA PeJP NA NA +PJ066142 TCKYWW C44H55N9O9S 885.3844 NA PeJP NA NA +PJ066143 SSSKEYW C40H55N9O14 885.3869 NA PeJP NA NA +PJ066144 SSCCCKKK C33H63N11O11S3 885.3871 NA PeJP NA NA +PJ066145 GDDMHRR C33H55N15O12S 885.3876 NA PeJP NA NA +PJ066146 QKMMYW C41H59N9O9S2 885.3877 NA PeJP NA NA +PJ066147 GAKMMYW C41H59N9O9S2 885.3878 NA PeJP NA NA +PJ066148 SDHRWW C41H51N13O10 885.3882 NA PeJP NA NA +PJ066149 STQKEMY C37H59N9O14S 885.3902 NA PeJP NA NA +PJ066150 GGTTKEMY C37H59N9O14S 885.3903 NA PeJP NA NA +PJ066151 LEEFYW C45H55N7O12 885.3909 NA PeJP NA NA +PJ066152 AQKMMMF C38H63N9O9S3 885.3911 NA PeJP NA NA +PJ066153 QEMHRW C38H55N13O10S 885.3916 NA PeJP NA NA +PJ066154 ATHWWW C46H51N11O8 885.3922 NA PeJP NA NA +PJ066155 GGPHFWW C46H51N11O8 885.3923 NA PeJP NA NA +PJ066156 SSSTTTTTT C33H59N9O19 885.3927 NA PeJP NA NA +PJ066157 SSTTTKMM C34H63N9O14S2 885.3936 NA PeJP NA NA +PJ066158 STQEEHR C34H55N13O15 885.3941 NA PeJP NA NA +PJ066159 APLEMYY C42H59N7O12S 885.3943 NA PeJP NA NA +PJ066160 SKKMMMM C35H67N9O9S4 885.3945 NA PeJP NA NA +PJ066161 GTCMRRY C35H59N13O10S2 885.395 NA PeJP NA NA +PJ066162 GNEHHHR C35H51N17O11 885.3954 NA PeJP NA NA +PJ066163 GGGEHHHR C35H51N17O11 885.3955 NA PeJP NA NA +PJ066164 VQMHWW C43H55N11O8S 885.3956 NA PeJP NA NA +PJ066165 SLLEMMY C39H63N7O12S2 885.3976 NA PeJP NA NA +PJ066166 SSSTRYW C39H55N11O13 885.3981 NA PeJP NA NA +PJ066167 SCNNHRR C32H55N17O11S 885.3988 NA PeJP NA NA +PJ066168 CKMRYW C40H59N11O8S2 885.399 NA PeJP NA NA +PJ066169 AAQHHHW C40H51N15O9 885.3995 NA PeJP NA NA +PJ066170 SSDKMRY C36H59N11O13S 885.4015 NA PeJP NA NA +PJ066171 APPTEWW C44H55N9O11 885.4021 NA PeJP NA NA +PJ066172 GGPPPEFW C44H55N9O11 885.4022 NA PeJP NA NA +PJ066173 ACKMMFR C37H63N11O8S3 885.4024 NA PeJP NA NA +PJ066174 CEHRRW C37H55N15O9S 885.4028 NA PeJP NA NA +PJ066175 SSDEHRR C33H55N15O14 885.4053 NA PeJP NA NA +PJ066176 GGGGGGGSPQR C33H55N15O14 885.4054 NA PeJP NA NA +PJ066177 GTTKMYW C41H59N9O11S 885.4055 NA PeJP NA NA +PJ066178 SPCMHRR C34H59N15O9S2 885.4062 NA PeJP NA NA +PJ066179 AMHRWW C42H55N13O7S 885.4069 NA PeJP NA NA +PJ066180 GSTTTKEY C37H59N9O16 885.408 NA PeJP NA NA +PJ066181 GKKEMMY C38H63N9O11S2 885.4089 NA PeJP NA NA +PJ066182 GTTEHRW C38H55N13O12 885.4093 NA PeJP NA NA +PJ066183 GGGPQERW C38H55N13O12 885.4094 NA PeJP NA NA +PJ066184 PPCLFFY C46H59N7O9S 885.4095 NA PeJP NA NA +PJ066185 NHHHRW C39H51N17O8 885.4107 NA PeJP NA NA +PJ066186 GLLEEYY C42H59N7O14 885.412 NA PeJP NA NA +PJ066187 SSSMRRY C35H59N13O12S 885.4127 NA PeJP NA NA +PJ066188 PVVMMFY C43H63N7O9S2 885.4129 NA PeJP NA NA +PJ066189 TKEHWW C43H55N11O10 885.4134 NA PeJP NA NA +3479 adrenorphin YGGFMRR 885.4154 ACE inhibitor Inhouse_peptide NA peptide +PJ066190 VVLMMMY C40H67N7O9S3 885.4163 NA PeJP NA NA +PJ066191 APPEMRW C40H59N11O10S 885.4167 NA PeJP NA NA +PJ066192 PPVCERW C40H59N11O10S 885.4168 NA PeJP NA NA +PJ066193 GKFYWW C48H55N9O8 885.4174 NA PeJP NA NA +PJ066194 SSSSSLRY C36H59N11O15 885.4192 NA PeJP NA NA +PJ066195 PVQEEER C36H59N11O15 885.4193 NA PeJP NA NA +PJ066196 GTKMMRY C37H63N11O10S2 885.4201 NA PeJP NA NA +PJ066197 GNQQHFR C37H55N15O11 885.4206 NA PeJP NA NA +PJ066198 GPPLMWW C45H59N9O8S 885.4208 NA PeJP NA NA +PJ066199 STTTKYW C41H59N9O13 885.4232 NA PeJP NA NA +PJ066200 PPTKEEW C41H59N9O13 885.4233 NA PeJP NA NA +PJ066201 SNNKMHR C34H59N15O11S 885.4239 NA PeJP NA NA +PJ066202 GTEMHRR C34H59N15O11S 885.424 NA PeJP NA NA +PJ066203 KKMMYW C42H63N9O8S2 885.4241 NA PeJP NA NA +PJ066204 TTHRWW C42H55N13O9 885.4246 NA PeJP NA NA +PJ066205 STKKEMY C38H63N9O13S 885.4266 NA PeJP NA NA +PJ066206 GPPVKEEM C38H63N9O13S 885.4267 NA PeJP NA NA +PJ066207 LLEYYW C46H59N7O11 885.4273 NA PeJP NA NA +PJ066208 AKKMMMF C39H67N9O8S3 885.4275 NA PeJP NA NA +PJ066209 KEMHRW C39H59N13O9S 885.428 NA PeJP NA NA +PJ066210 LHHFFW C47H55N11O7 885.4286 NA PeJP NA NA +PJ066211 APEEERR C35H59N13O14 885.4305 NA PeJP NA NA +PJ066212 SPLLMYY C43H63N7O11S 885.4306 NA PeJP NA NA +PJ066213 PVTLMYY C43H63N7O11S 885.4307 NA PeJP NA NA +PJ066214 ALQMMHR C36H63N13O9S2 885.4313 NA PeJP NA NA +PJ066215 SPKMMHR C36H63N13O9S2 885.4314 NA PeJP NA NA +PJ066216 GDKHHHR C36H55N17O10 885.4318 NA PeJP NA NA +PJ066217 VKMHWW C44H59N11O7S 885.432 NA PeJP NA NA +PJ066218 GPLEERW C40H59N11O12 885.4345 NA PeJP NA NA +PJ066219 GPPHHRW C41H55N15O8 885.4359 NA PeJP NA NA +PJ066220 STTKMRY C37H63N11O12S 885.4379 NA PeJP NA NA +PJ066221 GPVLEWW C45H59N9O10 885.4385 NA PeJP NA NA +PJ066222 TMHRRW C38H59N15O8S 885.4392 NA PeJP NA NA +PJ066223 STTEHRR C34H59N15O13 885.4417 NA PeJP NA NA +PJ066224 GGGGGGGGAALR C34H59N15O13 885.4418 NA PeJP NA NA +PJ066225 PPVKEMW C42H63N9O10S 885.4419 NA PeJP NA NA +PJ066226 GVMMHRR C35H63N15O8S2 885.4426 NA PeJP NA NA +PJ066227 GSHHHRR C35H55N19O9 885.4431 NA PeJP NA NA +PJ066228 SSSTTLKY C38H63N9O15 885.4444 NA PeJP NA NA +PJ066229 SVKKMMY C39H67N9O10S2 885.4453 NA PeJP NA NA +PJ066230 SSTLHRW C39H59N13O11 885.4457 NA PeJP NA NA +PJ066231 GGGPKERW C39H59N13O11 885.4458 NA PeJP NA NA +PJ066232 PVVMFFF C47H63N7O8S 885.4459 NA PeJP NA NA +PJ066233 SVLLEYY C43H63N7O13 885.4484 NA PeJP NA NA +PJ066234 PPTEMRR C36H63N13O11S 885.4491 NA PeJP NA NA +PJ066235 VVLMMFF C44H67N7O8S2 885.4493 NA PeJP NA NA +PJ066236 PLERWW C44H59N11O9 885.4498 NA PeJP NA NA +PJ066237 GNQQQRR C33H59N17O12 885.4529 NA PeJP NA NA +PJ066238 GGGQQQRR C33H59N17O12 885.453 NA PeJP NA NA +PJ066239 SPPLMRW C41H63N11O9S 885.4531 NA PeJP NA NA +PJ066240 PVLWWW C49H59N9O7 885.4538 NA PeJP NA NA +PJ066241 PVKEEER C37H63N11O14 885.4556 NA PeJP NA NA +PJ066242 GGGPVDKKE C37H63N11O14 885.4557 NA PeJP NA NA +PJ066243 AAPPLMMR C38H67N11O9S2 885.4565 NA PeJP NA NA +PJ066244 GSPQRRW C38H59N15O10 885.457 NA PeJP NA NA +PJ066245 KKMFFW C46H63N9O7S 885.4572 NA PeJP NA NA +PJ066246 PTLLQEW C42H63N9O12 885.4596 NA PeJP NA NA +PJ066247 PVVKEEW C42H63N9O12 885.4597 NA PeJP NA NA +PJ066248 SSLMHRR C35H63N15O10S 885.4603 NA PeJP NA NA +PJ066249 GAAPQMRR C35H63N15O10S 885.4604 NA PeJP NA NA +PJ066250 PNKRWW C43H59N13O8 885.461 NA PeJP NA NA +PJ066251 APPTLKEM C39H67N9O12S 885.463 NA PeJP NA NA +PJ066252 APLLFYY C47H63N7O10 885.4637 NA PeJP NA NA +PJ066253 GNNNRRR C32H59N19O11 885.4642 NA PeJP NA NA +PJ066254 GCKKKHW C40H63N13O8S 885.4644 NA PeJP NA NA +PJ066255 SPLEERR C36H63N13O13 885.4669 NA PeJP NA NA +PJ066256 ALLLMYY C44H67N7O10S 885.467 NA PeJP NA NA +PJ066257 PPVMMRR C37H67N13O8S2 885.4677 NA PeJP NA NA +PJ066258 DHFRRR C37H59N17O9 885.4682 NA PeJP NA NA +PJ066259 SPVLERW C41H63N11O11 885.4709 NA PeJP NA NA +PJ066260 GPNMRRR C34H63N17O9S 885.4716 NA PeJP NA NA +MJ096919 Maridomycin III; 9-Propanoyl C44H71NO17 885.472199 NA MeJP NA NA +PJ066261 PLLQEMR C38H67N11O11S 885.4743 NA PeJP NA NA +PJ066262 APTLLWW C46H63N9O9 885.4749 NA PeJP NA NA +PJ066263 SPNKERR C35H63N15O12 885.4781 NA PeJP NA NA +PJ066264 PVLLQMW C43H67N9O9S 885.4783 NA PeJP NA NA +PJ066265 GPTLLKEE C39H67N9O14 885.4808 NA PeJP NA NA +PJ066266 GPPLLKMM C40H71N9O9S2 885.4817 NA PeJP NA NA +PJ066267 GPDKKRW C40H63N13O10 885.4821 NA PeJP NA NA +PJ066268 TTLLLYY C44H67N7O12 885.4848 NA PeJP NA NA +PJ066269 PVVEMRR C37H67N13O10S 885.4855 NA PeJP NA NA +PJ066270 AAPKKWW C45H63N11O8 885.4861 NA PeJP NA NA +PJ066271 GVLKHFW C45H63N11O8 885.4862 NA PeJP NA NA +MJ096920 Virustomycin A C48H71NO14 885.487455 NA MeJP NA NA +PJ066272 AAQERRR C34H63N17O11 885.4893 NA PeJP NA NA +PJ066273 GGGVERRR C34H63N17O11 885.4894 NA PeJP NA NA +PJ066274 APLLMRW C42H67N11O8S 885.4895 NA PeJP NA NA +PJ066275 VLLQEER C38H67N11O13 885.492 NA PeJP NA NA +PJ066276 VLKKMMH C39H71N11O8S2 885.4929 NA PeJP NA NA +PJ066277 GSPKRRW C39H63N15O9 885.4934 NA PeJP NA NA +PJ066278 PTLLKEW C43H67N9O11 885.496 NA PeJP NA NA +PJ066279 GGVLLLEW C43H67N9O11 885.4961 NA PeJP NA NA +PJ066280 APQKMRR C36H67N15O9S 885.4967 NA PeJP NA NA +PJ066281 LKHFRW C44H63N13O7 885.4974 NA PeJP NA NA +PJ066282 GPVLLKEM C40H71N9O11S 885.4994 NA PeJP NA NA +PJ066283 ALLLFFY C48H67N7O9 885.5001 NA PeJP NA NA +PJ066284 NERRRR C33H63N19O10 885.5006 NA PeJP NA NA +PJ066285 PTQKKER C37H67N13O12 885.5032 NA PeJP NA NA +PJ066286 ALLEERR C37H67N13O12 885.5033 NA PeJP NA NA +PJ066287 VNRRRW C38H63N17O8 885.5046 NA PeJP NA NA +PJ066288 GLLLERW C42H67N11O10 885.5073 NA PeJP NA NA +PJ066289 APCKRRR C35H67N17O8S 885.508 NA PeJP NA NA +MJ096921 Antibiotic CP 56064 C45H75NO16 885.508585 NA MeJP NA NA +MJ096922 Spirosolan-3-ol, Glycoside(4) C45H75NO16 885.508585 NA MeJP NA NA +MJ096923 Tylosin; 2C-Demethoxy C45H75NO16 885.508585 NA MeJP NA NA +MetaCyc04241 demethylmacrocin [] C45H75N1O16 885.508585 NA metacyc NA NA +PJ066290 PLLKEMR C39H71N11O10S 885.5107 NA PeJP NA NA +PJ066291 GVLLLWW C47H67N9O8 885.5113 NA PeJP NA NA +PJ066292 GLQKERR C36H67N15O11 885.5145 NA PeJP NA NA +PJ066293 PVLLKMW C44H71N9O8S 885.5147 NA PeJP NA NA +PJ066294 GRRRRW C37H63N19O7 885.5158 NA PeJP NA NA +PJ066295 AALLLKEE C40H71N9O13 885.5172 NA PeJP NA NA +PJ066296 APTKKRW C41H67N13O9 885.5185 NA PeJP NA NA +MJ096924 Verlamelin C45H71N7O11 885.521156 NA MeJP NA NA +PJ066297 PTLLMRR C38H71N13O9S 885.5219 NA PeJP NA NA +PJ066298 LLLRWW C46H67N11O7 885.5225 NA PeJP NA NA +MJ096925 Rapamycin; 7,32-O-Di-de-Me C49H75NO13 885.523841 NA MeJP NA NA +PJ066299 AAKERRR C35H67N17O10 885.5257 NA PeJP NA NA +PJ066300 VLLKEER C39H71N11O12 885.5284 NA PeJP NA NA +PJ066301 LQKRRW C40H67N15O8 885.5297 NA PeJP NA NA +PJ066302 GALKRRW C40H67N15O8 885.5298 NA PeJP NA NA +PJ066303 VVLLKEW C44H71N9O10 885.5324 NA PeJP NA NA +PJ066304 APKKMRR C37H71N15O8S 885.5331 NA PeJP NA NA +PJ066305 APTLLLKM C41H75N9O10S 885.5358 NA PeJP NA NA +PJ066306 DKRRRR C34H67N19O9 885.537 NA PeJP NA NA +PJ066307 SLLLERR C38H71N13O11 885.5396 NA PeJP NA NA +PJ066308 GGVLKKER C38H71N13O11 885.5397 NA PeJP NA NA +PJ066309 SVLLLRW C43H71N11O9 885.5437 NA PeJP NA NA +PJ066310 LLLLQMR C40H75N11O9S 885.547 NA PeJP NA NA +PJ066311 SRRRRR C33H67N21O8 885.5482 NA PeJP NA NA +PJ066312 GLKKERR C37H71N15O10 885.5509 NA PeJP NA NA +PJ066313 VTTILLLN C41H75N9O12 885.5535 NA PeJP NA NA +PJ066314 GTLLLLKE C41H75N9O12 885.5536 NA PeJP NA NA +PJ066315 GVLKKRW C42H71N13O8 885.5549 NA PeJP NA NA +PJ066316 VVLLMRR C39H75N13O8S 885.5583 NA PeJP NA NA +PJ066317 GTLKRRR C36H71N17O9 885.5621 NA PeJP NA NA +PJ066318 GTTLLLLR C40H75N11O11 885.5648 NA PeJP NA NA +PJ066319 LKKRRW C41H71N15O7 885.5661 NA PeJP NA NA +PJ066320 TLLLLKW C45H75N9O9 885.5688 NA PeJP NA NA +PJ066321 GVLLLLKM C42H79N9O9S 885.5722 NA PeJP NA NA +PJ066322 VVKKKER C39H75N13O10 885.576 NA PeJP NA NA +PJ066323 VVVKKKW C44H75N11O8 885.58 NA PeJP NA NA +PJ066324 ALLKKKW C44H75N11O8 885.5801 NA PeJP NA NA +PJ066325 LLLLKMR C41H79N11O8S 885.5834 NA PeJP NA NA +PJ066326 SVLKKRR C38H75N15O9 885.5873 NA PeJP NA NA +PJ066327 SSLLLLLK C42H79N9O11 885.5899 NA PeJP NA NA +PJ066328 LLKKKKE C41H79N11O10 885.6012 NA PeJP NA NA +PJ066329 TLLKKKR C40H79N13O9 885.6124 NA PeJP NA NA +PJ066330 AKKKKKR C39H79N15O8 885.6236 NA PeJP NA NA +HMDB08616 PC(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C52H88NO8P 885.624756 NA HMDB2010 NA NA +HMDB08646 PC(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) C52H88NO8P 885.624756 NA HMDB2010 NA NA +HMDB08744 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)) C52H88NO8P 885.624756 NA HMDB2010 NA NA +PJ066331 VKKKKKK C41H83N13O8 885.6488 NA PeJP NA NA +HMDB09509 PE(22:0/24:1(15Z)) C51H100NO8P 885.718628 NA HMDB2010 NA NA +HMDB09541 PE(22:1(13Z)/24:0) C51H100NO8P 885.718628 NA HMDB2010 NA NA +HMDB09733 PE(24:0/22:1(13Z)) C51H100NO8P 885.718628 NA HMDB2010 NA NA +HMDB09765 PE(24:1(15Z)/22:0) C51H100NO8P 885.718628 NA HMDB2010 NA NA +PJ066332 CCCCCCCF C30H46N8O9S7 886.1433 NA PeJP NA NA +C02247 Anthranilyl-CoA C28H41N8O17P3S 886.1523 NA KEGG NA NA +C02248 Apocytochrome c C28H41N8O17P3S 886.1523 NA KEGG NA NA +MetaCyc04242 2-aminobenzoyl-CoA [anthranilyl-CoA;anthranilate-CoA;] C28H41N8O17P3S1 886.152322 NA metacyc NA NA +PJ066333 SCCCCCCY C30H46N8O11S6 886.1611 NA PeJP NA NA +PJ066334 SCCCCCEH C29H46N10O12S5 886.1901 NA PeJP NA NA +PJ066335 SCCDDDDD C29H42N8O20S2 886.1957 NA PeJP NA NA +PJ066336 PCCCCDDE C30H46N8O15S4 886.1966 NA PeJP NA NA +PJ066337 GCCCCMMH C30H50N10O9S6 886.2087 NA PeJP NA NA +PJ066338 GCCDDDEM C30H46N8O17S3 886.2144 NA PeJP NA NA +MJ096926 Malonichrome C31H44FeN9O18 886.215372 NA MeJP NA NA +MJ096927 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3',5'-Di-Me ether, 3-O-[4-hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) C41H43O22(+) 886.216773 NA MeJP NA NA +PJ066339 CCCCNNNN C28H46N12O13S4 886.219 NA PeJP NA NA +PJ066340 GGCCCCNNN C28H46N12O13S4 886.2191 NA PeJP NA NA +PJ066341 GCCCCDHF C33H46N10O11S4 886.2231 NA PeJP NA NA +PJ066342 SCCCNNDE C29H46N10O16S3 886.2256 NA PeJP NA NA +PJ066343 STCCCCMH C30H50N10O11S5 886.2264 NA PeJP NA NA +PJ066344 GGPCCCCNM C30H50N10O11S5 886.2265 NA PeJP NA NA +PJ066345 CCDDDMW C34H46N8O14S3 886.2296 NA PeJP NA NA +PJ066346 SSCDDDDM C30H46N8O19S2 886.2321 NA PeJP NA NA +PJ066347 SPCCCDEM C31H50N8O14S4 886.233 NA PeJP NA NA +PJ066348 PPCCCCMM C32H54N8O9S6 886.2338 NA PeJP NA NA +PJ066349 GSCCCNDW C33H46N10O13S3 886.2408 NA PeJP NA NA +PJ066350 GSSSCCNDD C29H46N10O18S2 886.2433 NA PeJP NA NA +PJ066351 GCCNNDMM C30H50N10O13S4 886.2442 NA PeJP NA NA +PJ066352 GPCCDDDY C34H46N8O16S2 886.2474 NA PeJP NA NA +PJ066353 PPCCCCDF C35H50N8O11S4 886.2482 NA PeJP NA NA +PJ066354 GSCDDEMM C31H50N8O16S3 886.2507 NA PeJP NA NA +PJ066355 GPCCDMMM C32H54N8O11S5 886.2516 NA PeJP NA NA +FL5FAAGA0045 Kaempferol 3-(4''-(E)-p-coumarylrobinobioside)-7-rhamnoside C42H46O21 886.25315 151676-93-6 knapsack NA NA +FL5FAAGL0092 Kaempferol 3-rhamnosyl-(1->3)(4'''-p-coumarylrhamnosyl)(1->6)-glucoside C42H46O21 886.25315 - knapsack NA NA +MJ096928 Astragalin; 6''-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-E-cinnamoyl-(?4)]-?-L-rhamnopyranosyl] C42H46O21 886.253158 NA MeJP NA NA +MJ096929 ?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside], (E)-4-hydroxycinnamoyl C42H46O21 886.253158 NA MeJP NA NA +MJ096930 ?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside], (Z)-4-hydroxycinnamoyl C42H46O21 886.253158 NA MeJP NA NA +MJ096931 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxycinnamoyl-(?4)]-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C42H47O21(+) 886.253158 NA MeJP NA NA +MJ096932 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxycinnamoyl-(??)]-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C42H47O21(+) 886.253158 NA MeJP NA NA +PJ066356 GCCCCNER C29H50N12O12S4 886.2554 NA PeJP NA NA +PJ066357 GGGCCCCER C29H50N12O12S4 886.2555 NA PeJP NA NA +PJ066358 GCCNNDDF C33H46N10O15S2 886.2586 NA PeJP NA NA +PJ066359 CCCNQMW C34H50N10O10S4 886.2594 NA PeJP NA NA +PJ066360 GGCCCQMW C34H50N10O10S4 886.2595 NA PeJP NA NA +PJ066361 SSCCNNEM C30H50N10O15S3 886.262 NA PeJP NA NA +PJ066362 PCCCCCQK C31H54N10O10S5 886.2628 NA PeJP NA NA +PJ066363 GCCCNNHH C31H46N14O11S3 886.2633 NA PeJP NA NA +MJ096933 Pradimicin L; 17-Hydroxy C41H46N2O20 886.264391 NA MeJP NA NA +PJ066364 NDDDDMY C34H46N8O18S 886.2651 NA PeJP NA NA +PJ066365 SCDDMMW C35H50N8O13S3 886.266 NA PeJP NA NA +PJ066366 SSSDDDMM C31H50N8O18S2 886.2685 NA PeJP NA NA +PJ066367 NDDMMMM C32H54N8O13S4 886.2694 NA PeJP NA NA +PJ066368 GSCCDEHH C32H46N12O14S2 886.2698 NA PeJP NA NA +PJ066369 CCCCNRW C33H50N12O9S4 886.2707 NA PeJP NA NA +PJ066370 SSCCCNDR C29H50N12O14S3 886.2732 NA PeJP NA NA +FL5FAAGA0025 Kaempferol 3-isorhamninoside-7-rhamnoside C39H50O23 886.27428 123479-26-5 knapsack NA NA +FL5FAAGS0100 Astrasikokioside I;Desacyl gladiatoside B;Kaempferol 3-rhamnosyl-(1->6)-[rhamnosyl-(1->2)-galactoside]-7-rhamnoside C39H50O23 886.27428 266996-10-5 knapsack NA NA +MJ096934 Sucrose; 3'-O-(4-Hydroxy-3,5-dimethoxycinnamoyl), 6-O-(4-hydroxy-3-methoxycinnamoyl), 3-O-?-D-glucopyranoside C39H50O23 886.274287 NA MeJP NA NA +MJ096935 ?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-galactopyranoside] C39H50O23 886.274287 NA MeJP NA NA +PJ066371 GSCNNDDY C33H46N10O17S 886.2763 NA PeJP NA NA +PJ066372 GGGSCNDDY C33H46N10O17S 886.2764 NA PeJP NA NA +PJ066373 GSSCCNMW C34H50N10O12S3 886.2772 NA PeJP NA NA +PJ066374 GSSSSCNDM C30H50N10O17S2 886.2797 NA PeJP NA NA +PJ066375 GCDDEYW C38H46N8O15S 886.2804 NA PeJP NA NA +PJ066376 CCDEMMR C31H54N10O12S4 886.2806 NA PeJP NA NA +PJ066377 PCCCEFW C39H50N8O10S3 886.2812 NA PeJP NA NA +PJ066378 GSSDDDEY C34H46N8O20 886.2829 NA PeJP NA NA +MJ096936 Dermocanarin 7 C50H46O15 886.28367 NA MeJP NA NA +PJ066379 GSPCDDMY C35H50N8O15S2 886.2837 NA PeJP NA NA +PJ066380 GGDDDMMF C35H50N8O15S2 886.2838 NA PeJP NA NA +PJ066381 GCEMMMW C36H54N8O10S4 886.2846 NA PeJP NA NA +PJ066382 SCCDHHW C36H46N12O11S2 886.2851 NA PeJP NA NA +PJ066383 GSSDEMMM C32H54N8O15S3 886.2871 NA PeJP NA NA +PJ066384 SSSCDDHH C32H46N12O16S 886.2876 NA PeJP NA NA +PJ066385 GSPCMMMM C33H58N8O10S5 886.288 NA PeJP NA NA +PJ066386 CNDMMHH C33H50N12O11S3 886.2884 NA PeJP NA NA +PJ066387 GGCDMMHH C33H50N12O11S3 886.2885 NA PeJP NA NA +PJ066388 PCDDDHW C37H46N10O14S 886.2916 NA PeJP NA NA +PJ066389 GSCCCQMR C30H54N12O11S4 886.2918 NA PeJP NA NA +PJ066390 CCCQHFF C38H50N10O9S3 886.2925 NA PeJP NA NA +PJ066391 NDDEEEH C33H46N10O19 886.2941 NA PeJP NA NA +PJ066392 SSSSCCQW C34H50N10O14S2 886.295 NA PeJP NA NA +PJ066393 CDDYWW C42H46N8O12S 886.2956 NA PeJP NA NA +MJ096937 Cytochrome c C42H54FeN8O6S2 886.295715 NA MeJP NA NA +PJ066394 CCCNKMW C35H54N10O9S4 886.2958 NA PeJP NA NA +PJ066395 GGCCCKMW C35H54N10O9S4 886.2959 NA PeJP NA NA +PJ066396 SSSSSSCNE C30H50N10O19S 886.2975 NA PeJP NA NA +PJ066397 SSDDDYW C38H46N8O17 886.2981 NA PeJP NA NA +PJ066398 SSSCNQMM C31H54N10O14S3 886.2983 NA PeJP NA NA +PJ066399 GGGGSSTCMM C31H54N10O14S3 886.2984 NA PeJP NA NA +PJ066400 GCNNNNDH C31H46N14O15S 886.2988 NA PeJP NA NA +PJ066401 GGGGGGGGGCDH C31H46N14O15S 886.2989 NA PeJP NA NA +PJ066402 SPCCEYW C39H50N8O12S2 886.299 NA PeJP NA NA +PJ066403 PCCCCCKK C32H58N10O9S5 886.2992 NA PeJP NA NA +PJ066404 CCCEHHR C32H50N14O10S3 886.2997 NA PeJP NA NA +PJ066405 CMMMWW C40H54N8O7S4 886.2999 NA PeJP NA NA +PJ066406 SNDEEMY C35H50N8O17S 886.3015 NA PeJP NA NA +PJ066407 SSDMMMW C36H54N8O12S3 886.3024 NA PeJP NA NA +PJ066408 CNDDHHF C36H46N12O13S 886.3028 NA PeJP NA NA +PJ066409 GGCDDHHF C36H46N12O13S 886.3029 NA PeJP NA NA +PJ066410 GSCCCCRR C29H54N14O10S4 886.3031 NA PeJP NA NA +PJ066411 ACCMHHW C37H50N12O8S3 886.3037 NA PeJP NA NA +PJ066412 SSSSEEMM C32H54N8O17S2 886.3049 NA PeJP NA NA +PJ066413 DDDDDHR C32H46N12O18 886.3053 NA PeJP NA NA +PJ066414 GGGGGSDDEH C32H46N12O18 886.3054 NA PeJP NA NA +PJ066415 SQEMMMM C33H58N8O12S4 886.3057 NA PeJP NA NA +PJ066416 CCNNDRY C33H50N12O13S2 886.3062 NA PeJP NA NA +PJ066417 CCNHHHH C34H46N16O9S2 886.3075 NA PeJP NA NA +PJ066418 GGCCHHHH C34H46N16O9S2 886.3076 NA PeJP NA NA +PJ066419 GDDEEHW C37H46N10O16 886.3094 NA PeJP NA NA +PJ066420 SSSCCNMR C30H54N12O13S3 886.3096 NA PeJP NA NA +PJ066421 GCNNMYW C38H50N10O11S2 886.3102 NA PeJP NA NA +PJ066422 GSSSSSSCW C34H50N10O16S 886.3127 NA PeJP NA NA +PJ066423 GSTCCCKW C35H54N10O11S3 886.3136 NA PeJP NA NA +PJ066424 CDMFWW C43H50N8O9S2 886.3143 NA PeJP NA NA +PJ066425 GSSSSSSSSD C30H50N10O21 886.3152 NA PeJP NA NA +PJ066426 GSSSSSNMM C31H54N10O16S2 886.3161 NA PeJP NA NA +PJ066427 GSDEMYW C39H50N8O14S 886.3168 NA PeJP NA NA +PJ066428 SCEMMMR C32H58N10O11S4 886.317 NA PeJP NA NA +PJ066429 GPCMMYW C40H54N8O9S3 886.3176 NA PeJP NA NA +PJ066430 GSTTDDEY C35H50N8O19 886.3192 NA PeJP NA NA +PJ066431 GSSSEEEY C35H50N8O19 886.3193 NA PeJP NA NA +PJ066432 GQEEMMY C36H54N8O14S2 886.3201 NA PeJP NA NA +PJ066433 SNNDDHW C36H46N12O15 886.3206 NA PeJP NA NA +PJ066434 CEFYYY C44H50N6O12S 886.3208 NA PeJP NA NA +PJ066435 GTMMMMW C37H58N8O9S4 886.321 NA PeJP NA NA +PJ066436 SSCMHHW C37H50N12O10S2 886.3215 NA PeJP NA NA +PJ066437 GSTTEMMM C33H58N8O14S3 886.3235 NA PeJP NA NA +PJ066438 SSSSDMHH C33H50N12O15S 886.324 NA PeJP NA NA +PJ066439 VNMMMMM C34H62N8O9S5 886.3244 NA PeJP NA NA +PJ066440 DDEHWW C41H46N10O13 886.3246 NA PeJP NA NA +PJ066441 CCNNMFR C34H54N12O10S3 886.3248 NA PeJP NA NA +PJ066442 GGGGCCMFR C34H54N12O10S3 886.3249 NA PeJP NA NA +MJ096938 Bussein D C44H54O19 886.325929 NA MeJP NA NA +PJ066443 GSSSSTCCR C30H54N12O15S2 886.3273 NA PeJP NA NA +PJ066444 SSCNQYW C38H50N10O13S 886.328 NA PeJP NA NA +PJ066445 GSCCCKMR C31H58N12O10S4 886.3282 NA PeJP NA NA +PJ066446 CCCKHFF C39H54N10O8S3 886.3289 NA PeJP NA NA +PJ066447 SSSSNNEY C34H50N10O18 886.3305 NA PeJP NA NA +PJ066448 SNNQMMY C35H54N10O13S2 886.3313 NA PeJP NA NA +PJ066449 SSSSCCKW C35H54N10O13S2 886.3314 NA PeJP NA NA +PJ066450 SDMYWW C43H50N8O11S 886.332 NA PeJP NA NA +PJ066451 PCCMMFR C36H58N10O8S4 886.3322 NA PeJP NA NA +PJ066452 GPPCCHHH C36H50N14O9S2 886.3327 NA PeJP NA NA +PJ066453 SSSSSSSQM C31H54N10O18S 886.3338 NA PeJP NA NA +PJ066454 GGSSSSSSTM C31H54N10O18S 886.3339 NA PeJP NA NA +PJ066455 SSSEEYW C39H50N8O16 886.3345 NA PeJP NA NA +PJ066456 SSSCNKMM C32H58N10O13S3 886.3347 NA PeJP NA NA +PJ066457 CNNDEHR C32H50N14O14S 886.3352 NA PeJP NA NA +PJ066458 QEMMYW C40H54N8O11S2 886.3354 NA PeJP NA NA +PJ066459 GMMMMMR C33H62N10O8S5 886.3356 NA PeJP NA NA +PJ066460 TCCMHHR C33H54N14O9S3 886.3361 NA PeJP NA NA +PJ066461 STQEEMY C36H54N8O16S 886.3379 NA PeJP NA NA +PJ066462 SEYYYY C44H50N6O14 886.3385 NA PeJP NA NA +PJ066463 STTMMMW C37H58N8O11S3 886.3387 NA PeJP NA NA +PJ066464 GGPTMMMY C37H58N8O11S3 886.3388 NA PeJP NA NA +PJ066465 GNNEMHW C37H50N12O12S 886.3392 NA PeJP NA NA +PJ066466 SSTTTEMM C33H58N8O16S2 886.3412 NA PeJP NA NA +PJ066467 SDDEEHR C33H50N12O17 886.3417 NA PeJP NA NA +PJ066468 GGGGGGGPNEE C33H50N12O17 886.3418 NA PeJP NA NA +PJ066469 SKEMMMM C34H62N8O11S4 886.3421 NA PeJP NA NA +PJ066470 SCNNMRY C34H54N12O12S2 886.3426 NA PeJP NA NA +PJ066471 NNNDHHH C34H46N16O13 886.3431 NA PeJP NA NA +PJ066472 GCNNFFW C42H50N10O10S 886.3432 NA PeJP NA NA +PJ066473 GGGCNFFW C42H50N10O10S 886.3433 NA PeJP NA NA +PJ066474 SSSSSSSCR C30H54N12O17S 886.3451 NA PeJP NA NA +PJ066475 GSSSSNYW C38H50N10O15 886.3457 NA PeJP NA NA +PJ066476 GTEEEHW C38H50N10O15 886.3458 NA PeJP NA NA +PJ066477 SSTCCCKR C31H58N12O12S3 886.346 NA PeJP NA NA +PJ066478 CEMRYW C39H54N10O10S2 886.3466 NA PeJP NA NA +PJ066479 SSDEMRY C35H54N10O15S 886.3491 NA PeJP NA NA +PJ066480 GSPDYYW C43H50N8O13 886.3498 NA PeJP NA NA +PJ066481 SPCMMRY C36H58N10O10S3 886.35 NA PeJP NA NA +PJ066482 GCNDHRW C36H50N14O11S 886.3505 NA PeJP NA NA +PJ066483 AMMYWW C44H54N8O8S2 886.3506 NA PeJP NA NA +PJ066484 GSSSSSSSTT C31H54N10O20 886.3516 NA PeJP NA NA +PJ066485 GSSSSTCKM C32H58N10O15S2 886.3525 NA PeJP NA NA +PJ066486 SSSNNNQH C32H50N14O16 886.3529 NA PeJP NA NA +PJ066487 GSSNDDHR C32H50N14O16 886.353 NA PeJP NA NA +PJ066488 GTTEMYW C40H54N8O13S 886.3531 NA PeJP NA NA +PJ066489 GGAEEMFF C40H54N8O13S 886.3532 NA PeJP NA NA +PJ066490 STMMMMR C33H62N10O10S4 886.3533 NA PeJP NA NA +PJ066491 GSCCKKMM C33H62N10O10S4 886.3534 NA PeJP NA NA +PJ066492 GSPCCQHR C33H54N14O11S2 886.3538 NA PeJP NA NA +PJ066493 AAMMMFW C41H58N8O8S3 886.354 NA PeJP NA NA +PJ066494 NNMHWW C41H50N12O9S 886.3545 NA PeJP NA NA +PJ066495 GSTTTEEY C36H54N8O18 886.3556 NA PeJP NA NA +PJ066496 GPPTEEEE C36H54N8O18 886.3557 NA PeJP NA NA +PJ066497 GKEEMMY C37H58N8O13S2 886.3565 NA PeJP NA NA +PJ066498 SSNQEHW C37H50N12O14 886.357 NA PeJP NA NA +PJ066499 CLYYYY C45H54N6O11S 886.3571 NA PeJP NA NA +PJ066500 PCKMMMF C38H62N8O8S4 886.3574 NA PeJP NA NA +PJ066501 PCCNKHW C38H54N12O9S2 886.3578 NA PeJP NA NA +PJ066502 GGPCCKHW C38H54N12O9S2 886.3579 NA PeJP NA NA +PJ066503 SSSTLMMM C34H62N8O13S3 886.3599 NA PeJP NA NA +PJ066504 GSSSCQRY C34H54N12O14S 886.3603 NA PeJP NA NA +PJ066505 GGGSSTCRY C34H54N12O14S 886.3604 NA PeJP NA NA +PJ066506 CLKMMMM C35H66N8O8S5 886.3608 NA PeJP NA NA +PJ066507 TEEHWW C42H50N10O12 886.361 NA PeJP NA NA +PJ066508 CCCQKFR C35H58N12O9S3 886.3612 NA PeJP NA NA +PJ066509 PMMHWW C43H54N10O7S2 886.3619 NA PeJP NA NA +MJ096939 Chukrasins; Chukrasin C C45H58O18 886.362315 NA MeJP NA NA +MJ096940 Amanitin; Amanullin C39H54N10O12S 886.364337 NA MeJP NA NA +PJ066510 SSCNKYW C39H54N10O12S 886.3644 NA PeJP NA NA +PJ066511 GEFYWW C47H50N8O10 886.365 NA PeJP NA NA +PJ066512 APCHHHW C40H50N14O8S 886.3657 NA PeJP NA NA +PJ066513 SSSSNDKY C35H54N10O17 886.3669 NA PeJP NA NA +PJ066514 GTEMMRY C36H58N10O12S2 886.3677 NA PeJP NA NA +PJ066515 GGGGSKMMY C36H58N10O12S2 886.3678 NA PeJP NA NA +PJ066516 NNNNQHF C36H50N14O13 886.3682 NA PeJP NA NA +PJ066517 GGGGGGGGGAHF C36H50N14O13 886.3683 NA PeJP NA NA +PJ066518 TTMYWW C44H54N8O10S 886.3684 NA PeJP NA NA +PJ066519 GCMHHFR C37H54N14O8S2 886.3691 NA PeJP NA NA +PJ066520 SSSSSSSKM C32H58N10O17S 886.3702 NA PeJP NA NA +PJ066521 STTTEYW C40H54N8O15 886.3709 NA PeJP NA NA +PJ066522 SSTCCKKM C33H62N10O12S3 886.3711 NA PeJP NA NA +PJ066523 SNNEMHR C33H54N14O13S 886.3716 NA PeJP NA NA +PJ066524 KEMMYW C41H58N8O10S2 886.3718 NA PeJP NA NA +PJ066525 GSSQHWW C41H50N12O11 886.3722 NA PeJP NA NA +PJ066526 GGGGGPNWW C41H50N12O11 886.3723 NA PeJP NA NA +PJ066527 STKEEMY C37H58N8O15S 886.3743 NA PeJP NA NA +PJ066528 SPKMMMY C38H62N8O10S3 886.3751 NA PeJP NA NA +PJ066529 EEMHRW C38H54N12O11S 886.3756 NA PeJP NA NA +PJ066530 PDHFWW C46H50N10O9 886.3763 NA PeJP NA NA +PJ066531 TTTTTTMM C34H62N8O15S2 886.3776 NA PeJP NA NA +PJ066532 SSSSSNRY C34H54N12O16 886.3781 NA PeJP NA NA +PJ066533 SCCQKRY C35H58N12O11S2 886.379 NA PeJP NA NA +PJ066534 SNQQHHH C35H50N16O12 886.3794 NA PeJP NA NA +PJ066535 GDEHHHR C35H50N16O12 886.3795 NA PeJP NA NA +PJ066536 VEMHWW C43H54N10O9S 886.3796 NA PeJP NA NA +PJ066537 FYWWW C51H50N8O7 886.3803 NA PeJP NA NA +PJ066538 SSLEEHW C39H54N10O14 886.3821 NA PeJP NA NA +PJ066539 GGGGPVEEW C39H54N10O14 886.3822 NA PeJP NA NA +PJ066540 SCNDHRR C32H54N16O12S 886.3828 NA PeJP NA NA +PJ066541 TMMRYW C40H58N10O9S2 886.383 NA PeJP NA NA +MJ096941 Premnaodoroside D; 8,8',10,10'-Tetradehydro C42H62O20 886.383444 NA MeJP NA NA +MJ096942 Trillenogenin; 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] C42H62O20 886.383444 NA MeJP NA NA +PJ066542 AAEHHHW C40H50N14O10 886.3835 NA PeJP NA NA +PJ066543 AMFFWW C48H54N8O7S 886.3837 NA PeJP NA NA +PJ066544 STTEMRY C36H58N10O14S 886.3855 NA PeJP NA NA +PJ066545 VQEYYW C44H54N8O12 886.3861 NA PeJP NA NA +PJ066546 GGLEYYW C44H54N8O12 886.3862 NA PeJP NA NA +PJ066547 GVMMMRY C37H62N10O9S3 886.3864 NA PeJP NA NA +PJ066548 GSNMHRW C37H54N14O10S 886.3868 NA PeJP NA NA +PJ066549 GGGSMHRW C37H54N14O10S 886.3869 NA PeJP NA NA +PJ066550 NHHFFW C45H50N12O8 886.3875 NA PeJP NA NA +PJ066551 GSSSQEHR C33H54N14O15 886.3893 NA PeJP NA NA +PJ066552 PNDDDRR C33H54N14O15 886.3894 NA PeJP NA NA +PJ066553 SSTLMYW C41H58N8O12S 886.3895 NA PeJP NA NA +PJ066554 TFFFYY C49H54N6O10 886.3902 NA PeJP NA NA +PJ066555 CQKHWW C42H54N12O8S 886.3909 NA PeJP NA NA +PJ066556 SSSTTLEY C37H58N8O17 886.392 NA PeJP NA NA +PJ066557 SVKEMMY C38H62N8O12S2 886.3929 NA PeJP NA NA +PJ066558 GPNEERW C38H54N12O13 886.3934 NA PeJP NA NA +PJ066559 PPCMHFR C39H58N12O8S2 886.3942 NA PeJP NA NA +PJ066560 DHHHRW C39H50N16O9 886.3947 NA PeJP NA NA +PJ066561 GSSSCKRY C35H58N12O13S 886.3967 NA PeJP NA NA +PJ066562 GGGSPPEMR C35H58N12O13S 886.3968 NA PeJP NA NA +PJ066563 AAPQEWW C43H54N10O11 886.3974 NA PeJP NA NA +PJ066564 MMMRRY C36H62N12O8S3 886.3976 NA PeJP NA NA +PJ066565 PTCHHHR C36H54N16O9S 886.3981 NA PeJP NA NA +MJ096943 Bryostatin 3; 26-Ketone C46H62O17 886.3987 NA MeJP NA NA +PJ066566 NNNNQQR C32H54N16O14 886.4006 NA PeJP NA NA +PJ066567 ASPMRYY C40H58N10O11S 886.4007 NA PeJP NA NA +PJ066568 ATLEMHW C40H58N10O11S 886.4008 NA PeJP NA NA +PJ066569 GLYYWW C48H54N8O9 886.4014 NA PeJP NA NA +PJ066570 GCQMHRR C33H58N16O9S2 886.4015 NA PeJP NA NA +PJ066571 SSSSTQKY C36H58N10O16 886.4032 NA PeJP NA NA +PJ066572 GGSSSTTKY C36H58N10O16 886.4033 NA PeJP NA NA +PJ066573 SSLMMRY C37H62N10O11S2 886.4041 NA PeJP NA NA +PJ066574 GGGGAPPLMM C37H62N10O11S2 886.4042 NA PeJP NA NA +PJ066575 SSSQHRW C37H54N14O12 886.4046 NA PeJP NA NA +PJ066576 PKMYYW C45H58N8O9S 886.4048 NA PeJP NA NA +PJ066577 PVVEEEW C41H58N8O14 886.4073 NA PeJP NA NA +PJ066578 GSPPCDRR C34H58N14O12S 886.408 NA PeJP NA NA +PJ066579 ALQMMFF C42H62N8O9S2 886.4081 NA PeJP NA NA +PJ066580 APKMMFY C42H62N8O9S2 886.4082 NA PeJP NA NA +PJ066581 PNERWW C42H54N12O10 886.4086 NA PeJP NA NA +PJ066582 SSSSLLMY C38H62N8O14S 886.4106 NA PeJP NA NA +PJ066583 APPTLEEM C38H62N8O14S 886.4107 NA PeJP NA NA +PJ066584 ALKMMMY C39H66N8O9S3 886.4115 NA PeJP NA NA +PJ066585 SPPNMRW C39H58N12O10S 886.412 NA PeJP NA NA +PJ066586 PVNWWW C47H54N10O8 886.4126 NA PeJP NA NA +PJ066587 GGPVWWW C47H54N10O8 886.4127 NA PeJP NA NA +PJ066588 PNDKEER C35H58N12O15 886.4145 NA PeJP NA NA +PJ066589 SCCKKRY C36H62N12O10S2 886.4154 NA PeJP NA NA +PJ066590 ATEHHHR C36H54N16O11 886.4158 NA PeJP NA NA +PJ066591 GGGGTKHHH C36H54N16O11 886.4159 NA PeJP NA NA +PJ066592 APPCKWW C44H58N10O8S 886.416 NA PeJP NA NA +PJ066593 TTTLEHW C40H58N10O13 886.4185 NA PeJP NA NA +PJ066594 SSNMHRR C33H58N16O11S 886.4192 NA PeJP NA NA +PJ066595 GLLMMHW C41H62N10O8S2 886.4194 NA PeJP NA NA +PJ066596 NQHFRW C41H54N14O9 886.4199 NA PeJP NA NA +PJ066597 GSSSKKMY C37H62N10O13S 886.4219 NA PeJP NA NA +PJ066598 VKEYYW C45H58N8O11 886.4225 NA PeJP NA NA +PJ066599 GGALEFFF C45H58N8O11 886.4226 NA PeJP NA NA +PJ066600 CCKKKMF C38H66N10O8S3 886.4228 NA PeJP NA NA +PJ066601 GTCKHRW C38H58N14O9S 886.4232 NA PeJP NA NA +PJ066602 GPRWWW C46H54N12O7 886.4239 NA PeJP NA NA +PJ066603 SPNEERR C34H58N14O14 886.4257 NA PeJP NA NA +PJ066604 GGGGGGLQER C34H58N14O14 886.4258 NA PeJP NA NA +PJ066605 SPVKMYY C42H62N8O11S 886.4259 NA PeJP NA NA +PJ066606 PPCQMRR C35H62N14O9S2 886.4266 NA PeJP NA NA +PJ066607 CKKHWW C43H58N12O7S 886.4273 NA PeJP NA NA +PJ066608 STTTTTLY C38H62N8O16 886.4284 NA PeJP NA NA +PJ066609 TTLKMMY C39H66N8O11S2 886.4293 NA PeJP NA NA +PJ066610 APTQERW C39H58N12O12 886.4297 NA PeJP NA NA +PJ066611 GPDKERW C39H58N12O12 886.4298 NA PeJP NA NA +PJ066612 MMFFRR C40H62N12O7S2 886.4306 NA PeJP NA NA +PJ066613 GPHHHFR C40H54N16O8 886.4311 NA PeJP NA NA +PJ066614 TTLEMHR C36H62N12O12S 886.4331 NA PeJP NA NA +PJ066615 GGGGGGGPLKM C36H62N12O12S 886.4332 NA PeJP NA NA +PJ066616 AAPKEWW C44H58N10O10 886.4338 NA PeJP NA NA +PJ066617 GLMHHHR C37H58N16O8S 886.4345 NA PeJP NA NA +MJ096944 Papulacandin A C47H66O16 886.435086 NA MeJP NA NA +PJ066618 GSSSTHRR C33H58N16O13 886.437 NA PeJP NA NA +PJ066619 STLLMHW C41H62N10O10S 886.4371 NA PeJP NA NA +PJ066620 GAPPTKMW C41H62N10O10S 886.4372 NA PeJP NA NA +PJ066621 PKFFYW C49H58N8O8 886.4378 NA PeJP NA NA +PJ066622 SSSSTKKY C37H62N10O15 886.4396 NA PeJP NA NA +PJ066623 PQKKEEE C37H62N10O15 886.4397 NA PeJP NA NA +PJ066624 SCKKKMY C38H66N10O10S2 886.4405 NA PeJP NA NA +PJ066625 GSPERRW C38H58N14O11 886.441 NA PeJP NA NA +PJ066626 LKMFYW C46H62N8O8S 886.4412 NA PeJP NA NA +PJ066627 PTLLEEW C42H62N8O13 886.4437 NA PeJP NA NA +2869 opioid peptide YPFPGPIP 886.444 antibacterial Inhouse_peptide NA peptide +7501 ACE inhibitor from b-CN (60-66) YPFPGPIP 886.444 antioxidative Inhouse_peptide NA peptide +PJ066628 STQKMHR C35H62N14O11S 886.4443 NA PeJP NA NA +PJ066629 APQEMRR C35H62N14O11S 886.4444 NA PeJP NA NA +PJ066630 PPLLMMW C43H66N8O8S2 886.4445 NA PeJP NA NA +PJ066631 PDKRWW C43H58N12O9 886.445 NA PeJP NA NA +PJ066632 APVLLDEM C39H66N8O13S 886.447 NA PeJP NA NA +PJ066633 GPVLLEEM C39H66N8O13S 886.4471 NA PeJP NA NA +PJ066634 GNNDRRR C32H58N18O12 886.4482 NA PeJP NA NA +PJ066635 GPLQMRW C40H62N12O9S 886.4484 NA PeJP NA NA +PJ066636 VLHFWW C48H58N10O7 886.449 NA PeJP NA NA +PJ066637 PTQKEER C36H62N12O14 886.4509 NA PeJP NA NA +PJ066638 SLLMMHR C37H66N12O9S2 886.4517 NA PeJP NA NA +PJ066639 VTLMMHR C37H66N12O9S2 886.4518 NA PeJP NA NA +PJ066640 NQQRRW C37H58N16O10 886.4522 NA PeJP NA NA +PJ066641 APKKEEW C41H62N10O12 886.4549 NA PeJP NA NA +PJ066642 GPDMRRR C34H62N16O10S 886.4556 NA PeJP NA NA +PJ066643 SPRRWW C42H58N14O8 886.4562 NA PeJP NA NA +MJ096945 3,26-Dihydroxyfurost-20(22)-en-6-one, 26-O-?-D-Glucopyranoside, 3-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C44H70O18 886.456215 NA MeJP NA NA +MJ096946 3-Hydroxyspirostan-12-one, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] C44H70O18 886.456215 NA MeJP NA NA +MJ096947 3-Hydroxyspirostan-12-one, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] C44H70O18 886.456215 NA MeJP NA NA +MJ096948 3-Hydroxyspirostan-6-one, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] C44H70O18 886.456215 NA MeJP NA NA +MJ096949 Furosta-5,25(27)-diene-1,3,22,26-tetrol, 1-O-?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside, 26-?-D-glucopyranoside C44H70O18 886.456215 NA MeJP NA NA +MJ096950 Spirost-25(27)-ene-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] C44H70O18 886.456215 NA MeJP NA NA +MJ096951 Spirost-5-ene-1,3,24-triol, 1-O-?-D-Fucopyranoside, 3-O-[?-D-apiofuranosyl-(1?4)-?-D-glucopyranoside] C44H70O18 886.456215 NA MeJP NA NA +MJ096952 Spirost-5-ene-3,14,17-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] C44H70O18 886.456215 NA MeJP NA NA +MJ096953 Spirost-5-ene-3,17,23-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] C44H70O18 886.456215 NA MeJP NA NA +MJ096954 Spirost-5-ene-3,23,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] C44H70O18 886.456215 NA MeJP NA NA +PJ066644 GGKHFRW C42H58N14O8 886.4563 NA PeJP NA NA +3984 NA GMNRSPIL 886.4573 ACE inhibitor Inhouse_peptide NA peptide +PJ066645 PLLEEMR C38H66N10O12S 886.4583 NA PeJP NA NA +PJ066646 PPVLEFW C46H62N8O10 886.4589 NA PeJP NA NA +PJ066647 AAPMRRW C39H62N14O8S 886.4596 NA PeJP NA NA +MJ096955 Examorelin C47H58N12O6 886.460227 NA MeJP NA NA +MJ096956 Microginin 299A C45H67ClN6O10 886.46072 NA MeJP NA NA +HMDB09939 PIP(16:1(9Z)/16:1(9Z)) C41H76O16P2 886.460876 NA HMDB2010 NA NA +HMDB09943 PIP(16:2(9Z,12Z)/16:0) C41H76O16P2 886.460876 NA HMDB2010 NA NA +PJ066648 GLQEERR C35H62N14O13 886.4621 NA PeJP NA NA +PJ066649 GGGGGGGGGVKK C35H62N14O13 886.4622 NA PeJP NA NA +PJ066650 PVLLEMW C43H66N8O10S 886.4623 NA PeJP NA NA +PJ066651 PPCKMRR C36H66N14O8S2 886.463 NA PeJP NA NA +PJ066652 GPQHHRR C36H58N18O9 886.4635 NA PeJP NA NA +PJ066653 AALLLEEE C39H66N8O15 886.4648 NA PeJP NA NA +PJ066654 SPPVLLMM C40H70N8O10S2 886.4657 NA PeJP NA NA +PJ066655 APTKERW C40H62N12O11 886.4661 NA PeJP NA NA +PJ066656 GGGLLERW C40H62N12O11 886.4662 NA PeJP NA NA +PJ066657 PVQKEMR C37H66N12O11S 886.4695 NA PeJP NA NA +PJ066658 GPTLKWW C45H62N10O9 886.4702 NA PeJP NA NA +PJ066659 ANNKERR C34H62N16O12 886.4733 NA PeJP NA NA +PJ066660 AAEERRR C34H62N16O12 886.4734 NA PeJP NA NA +PJ066661 PPTKKMW C42H66N10O9S 886.4735 NA PeJP NA NA +PJ066662 LKFFFW C50H62N8O7 886.4742 NA PeJP NA NA +PJ066663 VLLEEER C38H66N10O14 886.476 NA PeJP NA NA +PJ066664 GGAALLKEE C38H66N10O14 886.4761 NA PeJP NA NA +PJ066665 GPPVKKMM C39H70N10O9S2 886.4769 NA PeJP NA NA +PJ066666 LQERRW C39H62N14O10 886.4774 NA PeJP NA NA +MJ096957 N-Deacyltunicamycin; N4''-(16-Methyl-2-octadecenoyl) C42H70N4O16 886.478682 NA MeJP NA NA +PJ066667 STLLKYY C43H66N8O12 886.48 NA PeJP NA NA +PJ066668 VVLLEEW C43H66N8O12 886.4801 NA PeJP NA NA +PJ066669 APKEMRR C36H66N14O10S 886.4807 NA PeJP NA NA +PJ066670 GGPTLMRR C36H66N14O10S 886.4808 NA PeJP NA NA +PJ066671 VLQRWW C44H62N12O8 886.4814 NA PeJP NA NA +PJ066672 APTLLLEM C40H70N8O12S 886.4834 NA PeJP NA NA +PJ066673 DERRRR C33H62N18O11 886.4846 NA PeJP NA NA +PJ066674 GPLKMRW C41H66N12O8S 886.4848 NA PeJP NA NA +PJ066675 PTKKEER C37H66N12O13 886.4873 NA PeJP NA NA +PJ066676 PPKKMMR C38H70N12O8S2 886.4881 NA PeJP NA NA +MetaCyc04243 geranylgeranyl-chlorophyll a [geranylgeranyl-chl a;GG-chl a;GG-chlorophyll a;] C55H66N4O5MG1 886.488363 NA metacyc NA NA +PJ066677 VDRRRW C38H62N16O9 886.4886 NA PeJP NA NA +8292 ACE inhibitor QLGFLGPR 886.489 NA ;SYN:(+)-2-Amino-3-mercaptopropionic acid; (2R)-2-amino-3-mercaptopropanoic acid; (2R)-2-amino-3-sulfanylpropanoic acid; (R)-2-Amino-3-mercaptopropanoate; (R)-2-amino-3-mercapto-Propanoic acid; (R)-(+)-cysteine; (R)-cysteine; 2-Amino-3-mercaptopropanoic acid; 2-Amino-3-mercaptopropionate; 2-Amino-3-mercaptopropionic acid; 3-mercapto-L-Alanine; B-mercaptoalanine; Carbocysteine; Cisteina; Cisteinum; Cystein; Cysteine; Cysteinum; Half-cystine; Free cysteine; L cysteine; L-(+)-cysteine; L-2-Amino-3-mercaptopropanoic acid; L-2-Amino-3-mercaptopropionic acid; L-cystein; L-cysteine; Polycysteine; Thioserine; alpha-amino-beta-thiolpropionic acid; beta-mercaptoalanine; acetylcysteine; (2R)-2-amino-3-mercaptopropanoate; (2R)-2-amino-3-sulfanylpropanoate; (R)-2-Amino-3-mercaptopropanoic acid; (R)-2-amino-3-mercapto-Propanoate; 2-Amino-3-mercaptopropanoate; L-2-Amino-3-mercaptopropanoateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ066678 SPLKKEW C42H66N10O11 886.4913 NA PeJP NA NA +PJ066679 APTMRRR C35H66N16O9S 886.492 NA PeJP NA NA +C08905 Osladin C45H74O17 886.4926 NA KEGG NA NA +C08912 Sarsasapogenin 3-O-4G-rhamnosylsophoroside C45H74O17 886.4926 NA KEGG NA NA +MJ096958 16,23-Epoxycholest-24-ene-3,22-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C45H74O17 886.4926 NA MeJP NA NA +MJ096959 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-xylopyranoside], 6-O-?-D-xylopyranoside C45H74O17 886.4926 NA MeJP NA NA +MJ096960 22,26-Epoxy-3-hydroxycholestan-6-one, 3-O-[?-L-Rhamnopyranosyl(1?2)-?-D-glucopyranoside], 26-O-?-L-rhamnopyranoside C45H74O17 886.4926 NA MeJP NA NA +MJ096961 Furost-5-ene-3,22,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 26-O-?-L-rhamnopyranoside C45H74O17 886.4926 NA MeJP NA NA +MJ096962 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H74O17 886.4926 NA MeJP NA NA +MJ096963 Spirostan-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] C45H74O17 886.4926 NA MeJP NA NA +MJ096964 Spirostan-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C45H74O17 886.4926 NA MeJP NA NA +MJ096965 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?2)]-?-D-galactopyranoside] C45H74O17 886.4926 NA MeJP NA NA +MJ096966 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1??)-[?-D-glucopyranosyl-(1??)]-?-L-rhamnopyranoside] C45H74O17 886.4926 NA MeJP NA NA +MJ096967 Spirostan-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-galactopyranoside] C45H74O17 886.4926 NA MeJP NA NA +MJ096968 Spirostan-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] C45H74O17 886.4926 NA MeJP NA NA +MJ096969 Spirostane-2,3-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H74O17 886.4926 NA MeJP NA NA +MJ096970 Spirostane-3,6-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H74O17 886.4926 NA MeJP NA NA +PJ066680 ALRRWW C43H62N14O7 886.4926 NA PeJP NA NA +PJ066681 AAPLKKEM C39H70N10O11S 886.4947 NA PeJP NA NA +PJ066682 PPVLLYW C47H66N8O9 886.4953 NA PeJP NA NA +PJ066683 GLKEERR C36H66N14O12 886.4985 NA PeJP NA NA +MJ096971 Cycloamanide C C44H70N8O9S 886.498646 NA MeJP NA NA +PJ066684 GPPLLLMF C44H70N8O9S 886.4987 NA PeJP NA NA +PJ066685 GPKHHRR C37H62N18O8 886.4999 NA PeJP NA NA +PJ066686 GTLLLLEE C40H70N8O14 886.5012 NA PeJP NA NA +MJ096972 Xuxuarine B? C56H70O9 886.501983 NA MeJP NA NA +PJ066687 GPLLLLMM C41H74N8O9S2 886.5021 NA PeJP NA NA +PJ066688 GVLKERW C41H66N12O10 886.5025 NA PeJP NA NA +PJ066689 PVKKEMR C38H70N12O10S 886.5059 NA PeJP NA NA +PJ066690 AALLKWW C46H66N10O8 886.5066 NA PeJP NA NA +MJ096973 Avermectin B1a; O5-Me C49H74O14 886.507857 NA MeJP NA NA +MJ096974 Avermectin B1c C49H74O14 886.507857 NA MeJP NA NA +C11984 Avermectin A1a C49H74O14 886.5079 NA KEGG NA NA +PJ066691 GTLERRR C35H66N16O11 886.5097 NA PeJP NA NA +PJ066692 GGGKKERR C35H66N16O11 886.5098 NA PeJP NA NA +PJ066693 PVVKKMW C43H70N10O8S 886.5099 NA PeJP NA NA +PJ066694 LLQKKEE C39H70N10O13 886.5124 NA PeJP NA NA +PJ066695 LKERRW C40H66N14O9 886.5138 NA PeJP NA NA +PJ066696 TLLLLEW C44H70N8O11 886.5164 NA PeJP NA NA +PJ066697 GPVLLLEF C44H70N8O11 886.5165 NA PeJP NA NA +PJ066698 SPLKMRR C37H70N14O9S 886.5171 NA PeJP NA NA +PJ066699 VLKRWW C45H66N12O7 886.5178 NA PeJP NA NA +PJ066700 GVLLLLEM C41H74N8O11S 886.5198 NA PeJP NA NA +PJ066701 GSQKRRR C34H66N18O10 886.521 NA PeJP NA NA +MJ096975 Gnidilatidin; 20-Hexadecanoyl C53H74O11 886.523113 NA MeJP NA NA +PJ066702 TLLQKER C38H70N12O12 886.5236 NA PeJP NA NA +PJ066703 VVKKEER C38H70N12O12 886.5237 NA PeJP NA NA +PJ066704 TLRRRW C39H66N16O8 886.525 NA PeJP NA NA +PJ066705 ALLKKEW C43H70N10O10 886.5277 NA PeJP NA NA +PJ066706 GVLMRRR C36H70N16O8S 886.5284 NA PeJP NA NA +MJ096976 Antibiotic 6016 C46H78O16 886.528986 NA MeJP NA NA +MJ096977 Antibiotic UK 41637 C46H78O16 886.528986 NA MeJP NA NA +PJ066707 LLLLEMR C40H74N10O10S 886.5311 NA PeJP NA NA +PJ066708 PVLLLFW C48H70N8O8 886.5317 NA PeJP NA NA +MJ096978 Lavendothricin; Lavendothricin C C37H70N14O11 886.534849 NA MeJP NA NA +MJ096979 Streptothricin; Streptothricin C C37H70N14O11 886.534849 NA MeJP NA NA +PJ066709 SVLKERR C37H70N14O11 886.5349 NA PeJP NA NA +PJ066710 VLLLLMW C45H74N8O8S 886.5351 NA PeJP NA NA +PJ066711 PFRRRR C38H66N18O7 886.5362 NA PeJP NA NA +PJ066712 SSLLLLLE C41H74N8O13 886.5376 NA PeJP NA NA +PJ066713 ATLLKRW C42H70N12O9 886.5389 NA PeJP NA NA +PJ066714 LMRRRR C35H70N18O7S 886.5396 NA PeJP NA NA +PJ066715 VLLQKMR C39H74N12O9S 886.5423 NA PeJP NA NA +PJ066716 SSLLRRR C36H70N16O10 886.5461 NA PeJP NA NA +PJ066717 LLKKKEE C40H74N10O12 886.5488 NA PeJP NA NA +PJ066718 AAKKKRW C41H70N14O8 886.5501 NA PeJP NA NA +PJ066719 APLKFRR C41H70N14O8 886.5502 NA PeJP NA NA +PJ066720 GPVLLLLY C45H74N8O10 886.5528 NA PeJP NA NA +PJ066721 ALLKMRR C38H74N14O8S 886.5535 NA PeJP NA NA +PJ066722 ATLLLLLM C42H78N8O10S 886.5562 NA PeJP NA NA +HMDB09793 PI(16:0/22:4(10Z,13Z,16Z,19Z)) C47H83O13P 886.557129 NA HMDB2010 NA NA +HMDB09794 PI(16:0/22:4(7Z,10Z,13Z,16Z)) C47H83O13P 886.557129 NA HMDB2010 NA NA +HMDB09815 PI(18:0/20:4(5Z,8Z,11Z,14Z)) C47H83O13P 886.557129 NA HMDB2010 NA NA +HMDB09816 PI(18:0/20:4(8Z,11Z,14Z,17Z)) C47H83O13P 886.557129 NA HMDB2010 NA NA +HMDB09830 PI(18:1(11Z)/20:3(5Z,8Z,11Z)) C47H83O13P 886.557129 NA HMDB2010 NA NA +HMDB09831 PI(18:1(11Z)/20:3(8Z,11Z,14Z)) C47H83O13P 886.557129 NA HMDB2010 NA NA +HMDB09842 PI(18:1(9Z)/20:3(5Z,8Z,11Z)) C47H83O13P 886.557129 NA HMDB2010 NA NA +HMDB09843 PI(18:1(9Z)/20:3(8Z,11Z,14Z)) C47H83O13P 886.557129 NA HMDB2010 NA NA +HMDB09853 PI(18:2(9Z,12Z)/20:2(11Z,14Z)) C47H83O13P 886.557129 NA HMDB2010 NA NA +HMDB09877 PI(20:2(11Z,14Z)/18:2(9Z,12Z)) C47H83O13P 886.557129 NA HMDB2010 NA NA +HMDB09881 PI(20:3(5Z,8Z,11Z)/18:1(11Z)) C47H83O13P 886.557129 NA HMDB2010 NA NA +HMDB09882 PI(20:3(5Z,8Z,11Z)/18:1(9Z)) C47H83O13P 886.557129 NA HMDB2010 NA NA +HMDB09888 PI(20:3(8Z,11Z,14Z)/18:1(11Z)) C47H83O13P 886.557129 NA HMDB2010 NA NA +HMDB09889 PI(20:3(8Z,11Z,14Z)/18:1(9Z)) C47H83O13P 886.557129 NA HMDB2010 NA NA +HMDB09894 PI(20:4(5Z,8Z,11Z,14Z)/18:0) C47H83O13P 886.557129 NA HMDB2010 NA NA +HMDB09900 PI(20:4(8Z,11Z,14Z,17Z)/18:0) C47H83O13P 886.557129 NA HMDB2010 NA NA +HMDB09912 PI(22:4(10Z,13Z,16Z,19Z)/16:0) C47H83O13P 886.557129 NA HMDB2010 NA NA +HMDB09914 PI(22:4(7Z,10Z,13Z,16Z)/16:0) C47H83O13P 886.557129 NA HMDB2010 NA NA +PJ066723 GSKKRRR C35H70N18O9 886.5574 NA PeJP NA NA +PJ066724 TLLKKER C39H74N12O11 886.56 NA PeJP NA NA +PJ066725 GGLKKKKE C39H74N12O11 886.5601 NA PeJP NA NA +MJ096980 Romurtide C43H78N6O13 886.562686 NA MeJP NA NA +PJ066726 SLLLKKW C44H74N10O9 886.5641 NA PeJP NA NA +PJ066727 AALLLKKM C41H78N10O9S 886.5674 NA PeJP NA NA +PJ066728 TTLLKRR C38H74N14O10 886.5713 NA PeJP NA NA +PJ066729 TTTLLLLL C42H78N8O12 886.574 NA PeJP NA NA +PJ066730 GLKKKKW C43H74N12O8 886.5753 NA PeJP NA NA +PJ066731 VLLKKMR C40H78N12O8S 886.5787 NA PeJP NA NA +PJ066732 ATKKKRR C37H74N16O9 886.5825 NA PeJP NA NA +PJ066733 ATTLLLKK C41H78N10O11 886.5852 NA PeJP NA NA +PJ066734 GVLLLLLF C46H78N8O9 886.5892 NA PeJP NA NA +PJ066735 VKKKKKE C40H78N12O10 886.5964 NA PeJP NA NA +PJ066736 LLLLLFR C45H78N10O8 886.6005 NA PeJP NA NA +PJ066737 SLKKKKR C39H78N14O9 886.6077 NA PeJP NA NA +MJ096981 1,2-Diphytanylglyceryl-3-phosphorylglycerol; 3''-O-Sulfate C46H95O11PS 886.633271 NA MeJP NA NA +C02184 Plastoquinal-9 C63H98O2 886.7567 NA KEGG NA NA +HMDB05383 TG(16:0/18:1(9Z)/20:1(11Z))[iso6] C57H106O6 886.79895 http://www.hmdb.ca/metabolites/HMDB05383 HMDB NA NA +HMDB05388 TG(16:0/18:2(9Z,12Z)/20:0)[iso6] C57H106O6 886.79895 http://www.hmdb.ca/metabolites/HMDB05388 HMDB NA NA +HMDB05397 TG(18:0/18:0/18:2(9Z,12Z))[iso3] C57H106O6 886.79895 http://www.hmdb.ca/metabolites/HMDB05397 HMDB NA NA +HMDB05403 TG(18:0/18:1(9Z)/18:1(9Z))[iso3] C57H106O6 886.79895 http://www.hmdb.ca/metabolites/HMDB05403 HMDB NA NA +HMDB05424 TG(16:1(9Z)/18:0/20:1(11Z))[iso6] C57H106O6 886.79895 http://www.hmdb.ca/metabolites/HMDB05424 HMDB NA NA +HMDB05437 TG(16:1(9Z)/18:1(9Z)/20:0)[iso6] C57H106O6 886.79895 http://www.hmdb.ca/metabolites/HMDB05437 HMDB NA NA +HMDB05383 TG(16:0/18:1(9Z)/20:1(11Z))[iso6] C57H106O6 886.79895 HMDB05383 PFEM_hmdb_metabocards_official NA NA +HMDB05388 TG(16:0/18:2(9Z,12Z)/20:0)[iso6] C57H106O6 886.79895 HMDB05388 PFEM_hmdb_metabocards_official NA NA +HMDB05397 TG(18:0/18:0/18:2(9Z,12Z))[iso3] C57H106O6 886.79895 HMDB05397 PFEM_hmdb_metabocards_official NA NA +HMDB05403 TG(18:0/18:1(9Z)/18:1(9Z))[iso3] C57H106O6 886.79895 HMDB05403 PFEM_hmdb_metabocards_official NA NA +HMDB05424 TG(16:1(9Z)/18:0/20:1(11Z))[iso6] C57H106O6 886.79895 HMDB05424 PFEM_hmdb_metabocards_official NA NA +HMDB05437 TG(16:1(9Z)/18:1(9Z)/20:0)[iso6] C57H106O6 886.79895 HMDB05437 PFEM_hmdb_metabocards_official NA NA +HMDB05383 TG(16:0/18:1(9Z)/20:1(11Z))[iso6] C57H106O6 886.79895 NA HMDB2010 NA NA +HMDB05388 TG(16:0/18:2(9Z,12Z)/20:0)[iso6] C57H106O6 886.79895 NA HMDB2010 NA NA +HMDB05397 TG(18:0/18:0/18:2(9Z,12Z))[iso3] C57H106O6 886.79895 NA HMDB2010 NA NA +HMDB05403 TG(18:0/18:1(9Z)/18:1(9Z))[iso3] C57H106O6 886.79895 NA HMDB2010 NA NA +HMDB05424 TG(16:1(9Z)/18:0/20:1(11Z))[iso6] C57H106O6 886.79895 NA HMDB2010 NA NA +HMDB05437 TG(16:1(9Z)/18:1(9Z)/20:0)[iso6] C57H106O6 886.79895 NA HMDB2010 NA NA +HMDB10445 TG(18:1(11Z)/18:0/18:1(11Z))[iso3] C57H106O6 886.79895 NA HMDB2010 NA NA +HMDB10446 TG(18:1(11Z)/18:0/18:1(9Z))[iso6] C57H106O6 886.79895 NA HMDB2010 NA NA +7457 coeliac toxic peptide WQQQPPFSQEQPQF 886.8965 MH2+ Inhouse_peptide NA peptide +MJ096982 1-Tritriacontanol; Octacosanoyl C61H122O2 886.944483 NA MeJP NA NA +MJ096983 Triacontanoic acid; Hentriacontyl ester C61H122O2 886.944483 NA MeJP NA NA +MJ096984 Phenelfamycin; Phenelfamycin C, 21-Epimer, 23-de(phenylacetoxy) C50H17NO16 887.054733 NA MeJP NA NA +C02949 4-Hydroxybenzoyl-CoA C28H40N7O18P3S 887.1363 NA KEGG NA NA +C05195 3-Hydroxybenzoyl-CoA C28H40N7O18P3S 887.1363 NA KEGG NA NA +C05196 Dihydroflavodoxin C28H40N7O18P3S 887.1363 NA KEGG NA NA +C05197 [Formate C-acetyltransferase]-glycine C3H4N2O2R2 887.1363 NA KEGG NA NA +MJ096985 4-Hydroxybenzoyl-CoA C28H40N7O18P3S 887.136337 NA MeJP NA NA +MetaCyc04244 salicyloyl-CoA [] C28H40N7O18P3S1 887.136338 NA metacyc NA NA +MetaCyc04245 3-hydroxybenzoyl-CoA [] C28H40N7O18P3S1 887.136338 NA metacyc NA NA +MetaCyc04246 4-hydroxybenzoyl-CoA [] C28H40N7O18P3S1 887.136338 NA metacyc NA NA +HMDB06467 4-hydroxybenzoyl-CoA C28H40N7O18P3S 887.13635 http://www.hmdb.ca/metabolites/HMDB06467 HMDB NA NA +HMDB06467 4-hydroxybenzoyl-CoA C28H40N7O18P3S 887.13635 HMDB06467 PFEM_hmdb_metabocards_official NA NA +HMDB06467 4-hydroxybenzoyl-CoA C28H40N7O18P3S 887.136353 NA HMDB2010 NA NA +PJ066738 CCCCCCNH C28H45N11O10S6 887.1676 NA PeJP NA NA +PJ066739 GPPCCCCCC C30H49N9O10S6 887.1927 NA PeJP NA NA +PJ066740 CCCCNNND C28H45N11O14S4 887.2031 NA PeJP NA NA +HMDB02185 3-trans,5-cis-Octadienoyl-CoA C30H48N7O16P3S 887.209106 NA HMDB2010 NA NA +HMDB02185 3-trans,5-cis-Octadienoyl-CoA C30H48N7O16P3S 887.20911 http://www.hmdb.ca/metabolites/HMDB02185 HMDB NA NA +HMDB02185 3-trans,5-cis-Octadienoyl-CoA C30H48N7O16P3S 887.20911 HMDB02185 PFEM_hmdb_metabocards_official NA NA +PJ066741 SCCCNDDE C29H45N9O17S3 887.2096 NA PeJP NA NA +PJ066742 PCCCCNDM C30H49N9O12S5 887.2105 NA PeJP NA NA +PJ066743 CCCCMYY C35H49N7O10S5 887.2145 NA PeJP NA NA +FL7AAIGL0020 Salviamalvin C41H43O22 887.22459 128508-48-5 knapsack NA NA +PJ066744 GSCCCDDW C33H45N9O14S3 887.2249 NA PeJP NA NA +PJ066745 APCCCCCW C34H49N9O9S5 887.2257 NA PeJP NA NA +PJ066746 GSSSCCDDD C29H45N9O19S2 887.2274 NA PeJP NA NA +PJ066747 GCCNDDMM C30H49N9O14S4 887.2282 NA PeJP NA NA +PJ066748 SCCCNNNM C29H49N11O13S4 887.2394 NA PeJP NA NA +PJ066749 GCCCCDER C29H49N11O13S4 887.2395 NA PeJP NA NA +PJ066750 GCCNDDDF C33H45N9O16S2 887.2426 NA PeJP NA NA +PJ066751 CCCNEMW C34H49N9O11S4 887.2435 NA PeJP NA NA +FL7AAIGL0027 Malvidin 3-O-(6-O-(4-O-malonyl-alpha-rhamnopyranosyl)-beta-glucopyranoside)-5-O-beta-glucopyranoside C38H47O24 887.24572 - knapsack NA NA +FL7AAIGL0028 Malvidin 3-O-(6-O-(4-O-alpha-rhamnopyranosyl-beta-glucopyranoside)-5-O-(6-O-malonyl-beta-glucopyranoside) C38H47O24 887.24572 - knapsack NA NA +PJ066752 SSCCNDEM C30H49N9O16S3 887.246 NA PeJP NA NA +PJ066753 SPCCCNMM C31H53N9O11S5 887.2468 NA PeJP NA NA +PJ066754 GGSPCCCMM C31H53N9O11S5 887.2469 NA PeJP NA NA +PJ066755 GCCCNDHH C31H45N13O12S3 887.2473 NA PeJP NA NA +PJ066756 CCCCFFY C39H49N7O9S4 887.2475 NA PeJP NA NA +PJ066757 DDDDDMY C34H45N7O19S 887.2491 NA PeJP NA NA +PJ066758 DDDMMMM C32H53N7O14S4 887.2534 NA PeJP NA NA +PJ066759 CCCCDRW C33H49N11O10S4 887.2547 NA PeJP NA NA +PJ066760 SSCCCDDR C29H49N11O15S3 887.2572 NA PeJP NA NA +PJ066761 PTCCCCCR C30H53N11O10S5 887.2581 NA PeJP NA NA +PJ066762 GCCCMWW C38H49N9O8S4 887.2587 NA PeJP NA NA +PJ066763 GSCNDDDY C33H45N9O18S 887.2604 NA PeJP NA NA +FL7AAAGL0050 Pelargonidin 3-(4'''-p-coumarylrutinoside)-5-glucoside C42H47O21 887.26098 202335-29-3 knapsack NA NA +PJ066764 GSSCCDMW C34H49N9O13S3 887.2612 NA PeJP NA NA +PJ066765 GSSSSCDDM C30H49N9O18S2 887.2637 NA PeJP NA NA +PJ066766 GSCNDMMM C31H53N9O13S4 887.2646 NA PeJP NA NA +PJ066767 ACCCYYY C39H49N7O11S3 887.2652 NA PeJP NA NA +PJ066768 DDDDMMF C35H49N7O16S2 887.2678 NA PeJP NA NA +PJ066769 GCCCNNQF C33H49N11O12S3 887.2725 NA PeJP NA NA +PJ066770 SSSSSCCNN C29H49N11O17S2 887.275 NA PeJP NA NA +PJ066771 GSCCCEMR C30H53N11O12S4 887.2758 NA PeJP NA NA +PJ066772 GGGGTCCCCK C30H53N11O12S4 887.2759 NA PeJP NA NA +PJ066773 STCCCWW C38H49N9O10S3 887.2765 NA PeJP NA NA +PJ066774 DDDEEEH C33H45N9O20 887.2781 NA PeJP NA NA +PJ066775 SSSSCCEW C34H49N9O15S2 887.279 NA PeJP NA NA +PJ066776 SCCQMMW C35H53N9O10S4 887.2798 NA PeJP NA NA +PJ066777 GGTCCMMW C35H53N9O10S4 887.2799 NA PeJP NA NA +PJ066778 SSSSSSCDE C30H49N9O20S 887.2815 NA PeJP NA NA +PJ066779 DDDDDFF C38H45N7O18 887.2822 NA PeJP NA NA +PJ066780 SSSCNEMM C31H53N9O15S3 887.2824 NA PeJP NA NA +PJ066781 GCNNNDDH C31H45N13O16S 887.2828 NA PeJP NA NA +PJ066782 GGGGGCNDDH C31H45N13O16S 887.2829 NA PeJP NA NA +PJ066783 SSCCYYY C39H49N7O13S2 887.283 NA PeJP NA NA +PJ066784 CNQMMMM C32H57N9O10S5 887.2832 NA PeJP NA NA +PJ066785 GSCCNMHH C32H49N13O11S3 887.2837 NA PeJP NA NA +PJ066786 SDDEEMY C35H49N7O18S 887.2855 NA PeJP NA NA +PJ066787 PCDEMMY C36H53N7O13S3 887.2864 NA PeJP NA NA +PJ066788 CDDDHHF C36H45N11O14S 887.2869 NA PeJP NA NA +PJ066789 GSNDDDEH C32H45N11O19 887.2894 NA PeJP NA NA +PJ066790 SEEMMMM C33H57N7O13S4 887.2898 NA PeJP NA NA +PJ066791 CCNDDRY C33H49N11O14S2 887.2902 NA PeJP NA NA +PJ066792 SCCCMRW C34H53N11O9S4 887.2911 NA PeJP NA NA +PJ066793 CCDHHHH C34H45N15O10S2 887.2916 NA PeJP NA NA +PJ066794 SSSCCDMR C30H53N11O14S3 887.2936 NA PeJP NA NA +PJ066795 GCNDMYW C38H49N9O12S2 887.2942 NA PeJP NA NA +PJ066796 GGGCDMYW C38H49N9O12S2 887.2943 NA PeJP NA NA +PJ066797 CCNMMMR C31H57N11O9S5 887.2945 NA PeJP NA NA +PJ066798 GSSNDDMY C34H49N9O17S 887.2967 NA PeJP NA NA +PJ066799 GGGSSDDMY C34H49N9O17S 887.2968 NA PeJP NA NA +PJ066800 GSSSCMMW C35H53N9O12S3 887.2976 NA PeJP NA NA +MJ096986 Perdeacyleuojaponin; 1,6-Dibenzoyl, 8,9,14-tri-Ac C46H49NO17 887.300049 NA MeJP NA NA +MJ096987 Perdeacyleuojaponin; 1,9-Dibenzoyl, 2,8,14-tri-Ac C46H49NO17 887.300049 NA MeJP NA NA +MJ096988 Perdeacylwilforine; 1,2-Dibenzoyl, 8,9,14-tri-Ac C46H49NO17 887.300049 NA MeJP NA NA +PJ066801 GSSSSSDMM C31H53N9O17S2 887.3001 NA PeJP NA NA +PJ066802 PCDDEFY C39H49N7O15S 887.3008 NA PeJP NA NA +PJ066803 GSSNMMMM C32H57N9O12S4 887.301 NA PeJP NA NA +PJ066804 SSSCCQHH C32H49N13O13S2 887.3015 NA PeJP NA NA +PJ066805 GEEEMMY C36H53N7O15S2 887.3041 NA PeJP NA NA +PJ066806 SNDDDHW C36H45N11O16 887.3046 NA PeJP NA NA +PJ066807 PCEMMMF C37H57N7O10S4 887.305 NA PeJP NA NA +PJ066808 PCCNEHW C37H49N11O11S2 887.3055 NA PeJP NA NA +PJ066809 SSSCNNNY C33H49N11O16S 887.308 NA PeJP NA NA +PJ066810 VDMMMMM C34H61N7O10S5 887.3084 NA PeJP NA NA +PJ066811 CCNDMFR C34H53N11O11S3 887.3088 NA PeJP NA NA +PJ066812 GSPCCCRY C34H53N11O11S3 887.3089 NA PeJP NA NA +PJ066813 CCQYWW C42H49N9O9S2 887.3095 NA PeJP NA NA +PJ066814 SSCNEYW C38H49N9O14S 887.312 NA PeJP NA NA +PJ066815 GSTCCMMR C31H57N11O11S4 887.3122 NA PeJP NA NA +PJ066816 GCNMMFW C39H53N9O9S3 887.3129 NA PeJP NA NA +PJ066817 SSSSNDEY C34H49N9O19 887.3145 NA PeJP NA NA +PJ066818 SSSSTCMW C35H53N9O14S2 887.3154 NA PeJP NA NA +PJ066819 CNYYYY C43H49N7O12S 887.316 NA PeJP NA NA +PJ066820 SCCKMMW C36H57N9O9S4 887.3162 NA PeJP NA NA +PJ066821 GPCCCKMF C36H57N9O9S4 887.3163 NA PeJP NA NA +PJ066822 CCNQHHF C36H49N13O10S2 887.3167 NA PeJP NA NA +PJ066823 SSSSSSSEM C31H53N9O19S 887.3179 NA PeJP NA NA +PJ066824 SPDDEYY C39H49N7O17 887.3185 NA PeJP NA NA +PJ066825 SSSSQMMM C32H57N9O14S3 887.3187 NA PeJP NA NA +PJ066826 CNDDEHR C32H49N13O15S 887.3192 NA PeJP NA NA +PJ066827 EEMMYW C40H53N7O12S2 887.3194 NA PeJP NA NA +PJ066828 CNKMMMM C33H61N9O9S5 887.3196 NA PeJP NA NA +PJ066829 GTCCCKHH C33H53N13O10S3 887.3201 NA PeJP NA NA +PJ066830 GPCCHWW C41H49N11O8S2 887.3207 NA PeJP NA NA +PJ066831 STEEEMY C36H53N7O17S 887.3219 NA PeJP NA NA +PJ066832 SPEMMMY C37H57N7O12S3 887.3228 NA PeJP NA NA +PJ066833 GNDEMHW C37H49N11O13S 887.3232 NA PeJP NA NA +PJ066834 GGGDEMHW C37H49N11O13S 887.3233 NA PeJP NA NA +PJ066835 ACCCFRW C38H53N11O8S3 887.3241 NA PeJP NA NA +PJ066836 GSSNEEEH C33H49N11O18 887.3257 NA PeJP NA NA +PJ066837 GGGSSEEEH C33H49N11O18 887.3258 NA PeJP NA NA +PJ066838 SCNDMRY C34H53N11O13S2 887.3266 NA PeJP NA NA +PJ066839 NNDDHHH C34H45N15O14 887.3271 NA PeJP NA NA +PJ066840 GSSCYWW C42H49N9O11S 887.3273 NA PeJP NA NA +PJ066841 AMMMMHH C35H57N11O8S4 887.3275 NA PeJP NA NA +PJ066842 SCMHHHH C35H49N15O9S2 887.3279 NA PeJP NA NA +PJ066843 GSSSSDYW C38H49N9O16 887.3298 NA PeJP NA NA +PJ066844 SSSSCMMR C31H57N11O13S3 887.33 NA PeJP NA NA +PJ066845 GSNMMYW C39H53N9O11S2 887.3306 NA PeJP NA NA +PJ066846 GSSSQEMY C35H53N9O16S 887.3331 NA PeJP NA NA +PJ066847 GGGPPDEEM C35H53N9O16S 887.3332 NA PeJP NA NA +PJ066848 DEEFYW C43H49N7O14 887.3338 NA PeJP NA NA +PJ066849 GQQMMMY C36H57N9O11S3 887.334 NA PeJP NA NA +PJ066850 GCDDHRW C36H49N13O12S 887.3345 NA PeJP NA NA +PJ066851 GSSSSTTMM C32H57N9O16S2 887.3365 NA PeJP NA NA +PJ066852 GSSDDDHR C32H49N13O17 887.337 NA PeJP NA NA +PJ066853 GPEEMYY C40H53N7O14S 887.3372 NA PeJP NA NA +PJ066854 GSTCKMMM C33H61N9O11S4 887.3374 NA PeJP NA NA +PJ066855 ASPCCDHR C33H53N13O12S2 887.3378 NA PeJP NA NA +PJ066856 GSPCCEHR C33H53N13O12S2 887.3379 NA PeJP NA NA +PJ066857 PPCMMFY C41H57N7O9S3 887.338 NA PeJP NA NA +PJ066858 NDMHWW C41H49N11O10S 887.3385 NA PeJP NA NA +PJ066859 SVEEMMY C37H57N7O14S2 887.3405 NA PeJP NA NA +PJ066860 SSNEEHW C37H49N11O15 887.341 NA PeJP NA NA +PJ066861 PCLMMMY C38H61N7O9S4 887.3414 NA PeJP NA NA +PJ066862 GTCCRYW C38H53N11O10S2 887.3419 NA PeJP NA NA +PJ066863 GSSSCERY C34H53N11O15S 887.3444 NA PeJP NA NA +PJ066864 TLMMMMM C35H65N7O9S5 887.3448 NA PeJP NA NA +PJ066865 NNEYYW C42H49N9O13 887.345 NA PeJP NA NA +PJ066866 GCQMMRY C35H57N11O10S3 887.3452 NA PeJP NA NA +PJ066867 GGGAPMMMH C35H57N11O10S3 887.3453 NA PeJP NA NA +PJ066868 GSPCNHHH C35H49N15O11S 887.3457 NA PeJP NA NA +PJ066869 CCKYWW C43H53N9O8S2 887.3459 NA PeJP NA NA +PJ066870 GNNNNNNQ C31H49N15O16 887.3482 NA PeJP NA NA +PJ066871 GGGGGGGGGGGGGQ C31H49N15O16 887.3483 NA PeJP NA NA +MJ096989 Amanitin; Amanullinic acid C39H53N9O13S 887.348353 NA MeJP NA NA +PJ066872 SSSQMYW C39H53N9O13S 887.3484 NA PeJP NA NA +PJ066873 CNNNMHR C32H53N15O11S2 887.3491 NA PeJP NA NA +PJ066874 ACCKMFW C40H57N9O8S3 887.3493 NA PeJP NA NA +PJ066875 SSSSTQEY C35H53N9O18 887.3509 NA PeJP NA NA +PJ066876 STQQMMY C36H57N9O13S2 887.3517 NA PeJP NA NA +PJ066877 SNDKMMY C36H57N9O13S2 887.3518 NA PeJP NA NA +PJ066878 GSSSNNHW C36H49N13O14 887.3522 NA PeJP NA NA +PJ066879 GGGGGGNEHF C36H49N13O14 887.3523 NA PeJP NA NA +PJ066880 PEMYYW C44H53N7O11S 887.3524 NA PeJP NA NA +PJ066881 SPCCHRW C37H53N13O9S2 887.3531 NA PeJP NA NA +PJ066882 ACHWWW C45H49N11O7S 887.3538 NA PeJP NA NA +PJ066883 SSSSSTTTM C32H57N9O18S 887.3542 NA PeJP NA NA +PJ066884 GVEEEYY C40H53N7O16 887.3549 NA PeJP NA NA +PJ066885 SSSSKMMM C33H61N9O13S3 887.3551 NA PeJP NA NA +PJ066886 SNDEMHR C33H53N13O14S 887.3556 NA PeJP NA NA +PJ066887 SPPMMYY C41H57N7O11S2 887.3558 NA PeJP NA NA +PJ066888 GSSEHWW C41H49N11O12 887.3563 NA PeJP NA NA +PJ066889 GCCMRRY C34H57N13O9S3 887.3565 NA PeJP NA NA +PJ066890 MMHHFW C42H53N11O7S2 887.3571 NA PeJP NA NA +PJ066891 ALEMMMY C38H61N7O11S3 887.3591 NA PeJP NA NA +PJ066892 VVDMMMY C38H61N7O11S3 887.3592 NA PeJP NA NA +PJ066893 SSSCRYW C38H53N11O12S 887.3596 NA PeJP NA NA +PJ066894 GNYYWW C46H49N9O10 887.3603 NA PeJP NA NA +PJ066895 ACHHHHF C39H49N15O8S 887.361 NA PeJP NA NA +PJ066896 SSSSSDRY C34H53N11O17 887.3621 NA PeJP NA NA +PJ066897 GGGGGGAPTEE C34H53N11O17 887.3622 NA PeJP NA NA +PJ066898 SSNMMRY C35H57N11O12S2 887.363 NA PeJP NA NA +PJ066899 SNQEHHH C35H49N15O13 887.3635 NA PeJP NA NA +PJ066900 APPCEWW C43H53N9O10S 887.3636 NA PeJP NA NA +PJ066901 GPPDMWW C43H53N9O10S 887.3637 NA PeJP NA NA +PJ066902 GSSSTTYW C39H53N9O15 887.3661 NA PeJP NA NA +PJ066903 APQEEEW C39H53N9O15 887.3662 NA PeJP NA NA +PJ066904 SCDDHRR C32H53N15O13S 887.3668 NA PeJP NA NA +PJ066905 GGGGGSTCHR C32H53N15O13S 887.3669 NA PeJP NA NA +PJ066906 GTCKMYW C40H57N9O10S2 887.367 NA PeJP NA NA +PJ066907 GNNNHFW C40H49N13O11 887.3675 NA PeJP NA NA +PJ066908 GSSSKEMY C36H57N9O15S 887.3695 NA PeJP NA NA +PJ066909 VEEYYW C44H53N7O13 887.3702 NA PeJP NA NA +PJ066910 GQKMMMY C37H61N9O10S3 887.3704 NA PeJP NA NA +PJ066911 SCNNKHW C37H53N13O11S 887.3708 NA PeJP NA NA +PJ066912 GSDMHRW C37H53N13O11S 887.3709 NA PeJP NA NA +PJ066913 PPCMFFF C45H57N7O8S2 887.371 NA PeJP NA NA +PJ066914 SSHWWW C45H49N11O9 887.3715 NA PeJP NA NA +PJ066915 SSSSQQQH C33H53N13O16 887.3733 NA PeJP NA NA +PJ066916 PDDDDRR C33H53N13O16 887.3734 NA PeJP NA NA +PJ066917 SPVEMYY C41H57N7O13S 887.3735 NA PeJP NA NA +PJ066918 STCCRRY C34H57N13O11S2 887.3742 NA PeJP NA NA +PJ066919 GGGGGPPCMR C34H57N13O11S2 887.3743 NA PeJP NA NA +PJ066920 PCLMMFF C42H61N7O8S3 887.3744 NA PeJP NA NA +PJ066921 TQMHWW C42H53N11O9S 887.3749 NA PeJP NA NA +PJ066922 TTLEMMY C38H61N7O13S2 887.3769 NA PeJP NA NA +PJ066923 GPDEERW C38H53N11O14 887.3774 NA PeJP NA NA +PJ066924 VVMMMMF C39H65N7O8S4 887.3778 NA PeJP NA NA +PJ066925 SPCKMHW C39H57N11O9S2 887.3782 NA PeJP NA NA +PJ066926 GVQMMHW C39H57N11O9S2 887.3783 NA PeJP NA NA +PJ066927 GSQHHHW C39H49N15O10 887.3787 NA PeJP NA NA +PJ066928 GSSSTMRY C35H57N11O14S 887.3807 NA PeJP NA NA +PJ066929 GSPPDEMR C35H57N11O14S 887.3808 NA PeJP NA NA +PJ066930 AAPEEWW C43H53N9O12 887.3814 NA PeJP NA NA +PJ066931 GCKMMRY C36H61N11O9S3 887.3816 NA PeJP NA NA +PJ066932 AQQMHHH C36H53N15O10S 887.3821 NA PeJP NA NA +PJ066933 SSSSNNHR C32H53N15O15 887.3846 NA PeJP NA NA +PJ066934 SSSKMYW C40H57N9O12S 887.3848 NA PeJP NA NA +PJ066935 PPYYYW C48H53N7O10 887.3854 NA PeJP NA NA +PJ066936 GCEMHRR C33H57N15O10S2 887.3855 NA PeJP NA NA +PJ066937 TCHRWW C41H53N13O8S 887.3861 NA PeJP NA NA +PJ066938 SSTTTTQY C36H57N9O17 887.3872 NA PeJP NA NA +PJ066939 SSSSTKEY C36H57N9O17 887.3873 NA PeJP NA NA +PJ066940 STQKMMY C37H61N9O12S2 887.3881 NA PeJP NA NA +PJ066941 VLEEMMH C37H61N9O12S2 887.3882 NA PeJP NA NA +PJ066942 SSSEHRW C37H53N13O13 887.3886 NA PeJP NA NA +PJ066943 GGGGGGGGGGLW C37H53N13O13 887.3887 NA PeJP NA NA +PJ066944 LEMFYW C45H57N7O10S 887.3888 NA PeJP NA NA +PJ066945 QMMHRW C38H57N13O8S2 887.3895 NA PeJP NA NA +PJ066946 SPHHHHH C38H49N17O9 887.39 NA PeJP NA NA +PJ066947 ATLEEYY C41H57N7O15 887.3913 NA PeJP NA NA +PJ066948 STQEMHR C34H57N13O13S 887.392 NA PeJP NA NA +PJ066949 APLMMYY C42H61N7O10S2 887.3922 NA PeJP NA NA +PJ066950 PDERWW C42H53N11O11 887.3926 NA PeJP NA NA +PJ066951 GGGGAPTWW C42H53N11O11 887.3927 NA PeJP NA NA +PJ066952 GNMHHHR C35H53N17O9S 887.3933 NA PeJP NA NA +PJ066953 SLLMMMY C39H65N7O10S3 887.3955 NA PeJP NA NA +PJ066954 SPPDMRW C39H57N11O11S 887.396 NA PeJP NA NA +PJ066955 PVDWWW C47H53N9O9 887.3967 NA PeJP NA NA +PJ066956 SSSSTTRY C35H57N11O16 887.3985 NA PeJP NA NA +PJ066957 STCKMRY C36H61N11O11S2 887.3994 NA PeJP NA NA +PJ066958 GNNNQRW C36H53N15O12 887.3998 NA PeJP NA NA +PJ066959 GGGNNQRW C36H53N15O12 887.3999 NA PeJP NA NA +PJ066960 APPTMWW C44H57N9O9S 887.4 NA PeJP NA NA +PJ066961 CMHRRW C37H57N15O7S2 887.4007 NA PeJP NA NA +PJ066962 APKEEEW C40H57N9O14 887.4025 NA PeJP NA NA +PJ066963 SSDMHRR C33H57N15O12S 887.4032 NA PeJP NA NA +PJ066964 PPVQMMW C41H61N9O9S2 887.4034 NA PeJP NA NA +PJ066965 NEHFRW C41H53N13O10 887.4039 NA PeJP NA NA +PJ066966 GSTTTKMY C37H61N9O14S 887.4059 NA PeJP NA NA +PJ066967 SPPVYYY C45H57N7O12 887.4065 NA PeJP NA NA +PJ066968 GPLEFYY C45H57N7O12 887.4066 NA PeJP NA NA +PJ066969 GKKMMMY C38H65N9O9S3 887.4068 NA PeJP NA NA +PJ066970 GTTMHRW C38H57N13O10S 887.4072 NA PeJP NA NA +PJ066971 GGGPQMRW C38H57N13O10S 887.4073 NA PeJP NA NA +PJ066972 VNHFWW C46H53N11O8 887.4079 NA PeJP NA NA +PJ066973 SPDEERR C34H57N13O15 887.4097 NA PeJP NA NA +PJ066974 PTDDERR C34H57N13O15 887.4098 NA PeJP NA NA +PJ066975 GLLEMYY C42H61N7O12S 887.4099 NA PeJP NA NA +PJ066976 PPCEMRR C35H61N13O10S2 887.4106 NA PeJP NA NA +PJ066977 SSQHHHR C35H53N17O11 887.4111 NA PeJP NA NA +PJ066978 TKMHWW C43H57N11O8S 887.4113 NA PeJP NA NA +PJ066979 APTEERW C39H57N11O13 887.4138 NA PeJP NA NA +PJ066980 APPMMRW C40H61N11O8S2 887.4146 NA PeJP NA NA +PJ066981 GSKHHHW C40H53N15O9 887.4151 NA PeJP NA NA +PJ066982 PVQEEMR C36H61N11O13S 887.4171 NA PeJP NA NA +PJ066983 GGPLEEMR C36H61N11O13S 887.4172 NA PeJP NA NA +PJ066984 GPTLEWW C44H57N9O11 887.4178 NA PeJP NA NA +PJ066985 GPCNRRW C37H57N15O9S 887.4185 NA PeJP NA NA +PJ066986 GHFRWW C45H53N13O7 887.4191 NA PeJP NA NA +PJ066987 GNQEERR C33H57N15O14 887.421 NA PeJP NA NA +PJ066988 AVNKMYY C41H61N9O11S 887.4211 NA PeJP NA NA +PJ066989 PPTKEMW C41H61N9O11S 887.4212 NA PeJP NA NA +PJ066990 PLFYYW C49H57N7O9 887.4218 NA PeJP NA NA +PJ066991 GTMMHRR C34H61N15O9S2 887.4219 NA PeJP NA NA +PJ066992 SSTTTTKY C37H61N9O16 887.4236 NA PeJP NA NA +PJ066993 PKKEEEE C37H61N9O16 887.4237 NA PeJP NA NA +PJ066994 STKKMMY C38H65N9O11S2 887.4245 NA PeJP NA NA +PJ066995 STTTHRW C38H57N13O12 887.425 NA PeJP NA NA +PJ066996 LLMYYW C46H61N7O9S 887.4252 NA PeJP NA NA +PJ066997 KMMHRW C39H61N13O7S2 887.4259 NA PeJP NA NA +PJ066998 ALHHHHH C39H53N17O8 887.4263 NA PeJP NA NA +PJ066999 STLLEYY C42H61N7O14 887.4277 NA PeJP NA NA +PJ067000 APEEMRR C35H61N13O12S 887.4284 NA PeJP NA NA +PJ067001 ALLMMFY C43H65N7O9S2 887.4285 NA PeJP NA NA +PJ067002 VVVMMFY C43H65N7O9S2 887.4286 NA PeJP NA NA +PJ067003 GSPQKWW C43H57N11O10 887.429 NA PeJP NA NA +PJ067004 ACKHHHR C36H57N17O8S 887.4297 NA PeJP NA NA +PJ067005 GNDDRRR C32H57N17O13 887.4322 NA PeJP NA NA +PJ067006 GPLEMRW C40H61N11O10S 887.4324 NA PeJP NA NA +PJ067007 PTLWWW C48H57N9O8 887.433 NA PeJP NA NA +PJ067008 GPPVFWW C48H57N9O8 887.4331 NA PeJP NA NA +PJ067009 PTKEEER C36H61N11O15 887.4349 NA PeJP NA NA +PJ067010 PPKEMMR C37H65N11O10S2 887.4358 NA PeJP NA NA +PJ067011 NQERRW C37H57N15O11 887.4362 NA PeJP NA NA +PJ067012 GGGAERRW C37H57N15O11 887.4363 NA PeJP NA NA +PJ067013 GPVLMWW C45H61N9O8S 887.4364 NA PeJP NA NA +PJ067014 SPLKEEW C41H61N9O13 887.4389 NA PeJP NA NA +PJ067015 STTMHRR C34H61N15O11S 887.4396 NA PeJP NA NA +PJ067016 PPVKMMW C42H65N9O8S2 887.4398 NA PeJP NA NA +PJ067017 VNQRWW C42H57N13O9 887.4403 NA PeJP NA NA +PJ067018 AAPLKEEM C38H65N9O13S 887.4423 NA PeJP NA NA +PJ067019 GPLLYYY C46H61N7O11 887.4429 NA PeJP NA NA +PJ067020 LLLMMMH C39H69N9O8S3 887.4432 NA PeJP NA NA +PJ067021 GPNKMRW C39H61N13O9S 887.4436 NA PeJP NA NA +PJ067022 PPFRWW C47H57N11O7 887.4443 NA PeJP NA NA +PJ067023 GLEEERR C35H61N13O14 887.4461 NA PeJP NA NA +PJ067024 GGGGGSVLER C35H61N13O14 887.4462 NA PeJP NA NA +PJ067025 SVLLMYY C43H65N7O11S 887.4463 NA PeJP NA NA +PJ067026 PPTMMRR C36H65N13O9S2 887.447 NA PeJP NA NA +PJ067027 GPEHHRR C36H57N17O10 887.4475 NA PeJP NA NA +PJ067028 PLMRWW C44H61N11O7S 887.4477 NA PeJP NA NA +PJ067029 SPTLERW C40H61N11O12 887.4501 NA PeJP NA NA +PJ067030 GVLEERW C40H61N11O12 887.4502 NA PeJP NA NA +PJ067031 SPCNRRR C33H61N17O10S 887.4508 NA PeJP NA NA +PJ067032 GGSPCRRR C33H61N17O10S 887.4509 NA PeJP NA NA +PJ067033 GQRRWW C41H57N15O8 887.4515 NA PeJP NA NA +PJ067034 PVKEEMR C37H65N11O12S 887.4535 NA PeJP NA NA +PJ067035 GGGGGGGLLLM C37H65N11O12S 887.4536 NA PeJP NA NA +PJ067036 AALLEWW C45H61N9O10 887.4542 NA PeJP NA NA +PJ067037 AAMHFRR C38H61N15O8S 887.4549 NA PeJP NA NA +PJ067038 SNQQQKR C34H61N15O13 887.4573 NA PeJP NA NA +PJ067039 GNKEERR C34H61N15O13 887.4574 NA PeJP NA NA +PJ067040 PTLLQMW C42H65N9O10S 887.4575 NA PeJP NA NA +PJ067041 PVVKEMW C42H65N9O10S 887.4576 NA PeJP NA NA +PJ067042 LLFFYW C50H61N7O8 887.4582 NA PeJP NA NA +PJ067043 SPTTLLQE C38H65N9O15 887.46 NA PeJP NA NA +PJ067044 LLQKEEE C38H65N9O15 887.4601 NA PeJP NA NA +PJ067045 APPTLKMM C39H69N9O10S2 887.4609 NA PeJP NA NA +PJ067046 LEERRW C39H61N13O11 887.4614 NA PeJP NA NA +PJ067047 ALLMFFF C47H65N7O8S 887.4616 NA PeJP NA NA +PJ067048 PHHRRW C40H57N17O7 887.4627 NA PeJP NA NA +PJ067049 VVQQQMR C36H65N13O11S 887.4647 NA PeJP NA NA +PJ067050 SPLEMRR C36H65N13O11S 887.4648 NA PeJP NA NA +PJ067051 VLERWW C44H61N11O9 887.4654 NA PeJP NA NA +PJ067052 GSQERRR C33H61N17O12 887.4686 NA PeJP NA NA +PJ067053 SPVLMRW C41H65N11O9S 887.4688 NA PeJP NA NA +PJ067054 VVLWWW C49H61N9O7 887.4694 NA PeJP NA NA +PJ067055 VVKEEER C37H65N11O14 887.4713 NA PeJP NA NA +PJ067056 PLLQMMR C38H69N11O9S2 887.4722 NA PeJP NA NA +PJ067057 NKERRW C38H61N15O10 887.4726 NA PeJP NA NA +PJ067058 ALLKEEW C42H65N9O12 887.4753 NA PeJP NA NA +PJ067059 SPNKMRR C35H65N15O10S 887.476 NA PeJP NA NA +PJ067060 VNKRWW C43H61N13O8 887.4766 NA PeJP NA NA +PJ067061 GGVKRWW C43H61N13O8 887.4767 NA PeJP NA NA +PJ067062 GPTLLKEM C39H69N9O12S 887.4787 NA PeJP NA NA +PJ067063 GLLLFYY C47H65N7O10 887.4793 NA PeJP NA NA +PJ067064 APCKKRW C40H65N13O8S 887.48 NA PeJP NA NA +PJ067065 SVLEERR C36H65N13O13 887.4825 NA PeJP NA NA +PJ067066 PVVMMRR C37H69N13O8S2 887.4834 NA PeJP NA NA +PJ067067 SQRRRW C37H61N17O9 887.4839 NA PeJP NA NA +PJ067068 ATLLERW C41H65N11O11 887.4865 NA PeJP NA NA +PJ067069 GGALKKEW C41H65N11O11 887.4866 NA PeJP NA NA +PJ067070 AAQMRRR C34H65N17O9S 887.4872 NA PeJP NA NA +MJ096990 Tylosin; 2C,3C-Di-de-Me C44H73NO17 887.487849 NA MeJP NA NA +C02400 Demethylmacrocin C44H73NO17 887.4879 NA KEGG NA NA +C02401 Dialkylarylamine C6H5NR2 887.4879 NA KEGG NA NA +C02403 Fatty acid anion CO2R 887.4879 NA KEGG NA NA +C02404 Fibrinopeptide B CO2R 887.4879 NA KEGG NA NA +PJ067071 GKRRWW C42H61N15O7 887.4879 NA PeJP NA NA +PJ067072 VLLQEMR C38H69N11O11S 887.4899 NA PeJP NA NA +PJ067073 GTLLLWW C46H65N9O9 887.4906 NA PeJP NA NA +PJ067074 SVNKERR C35H65N15O12 887.4937 NA PeJP NA NA +PJ067075 GDKKERR C35H65N15O12 887.4938 NA PeJP NA NA +PJ067076 PTLLKMW C43H69N9O9S 887.4939 NA PeJP NA NA +PJ067077 LLKKEEE C39H69N9O14 887.4964 NA PeJP NA NA +PJ067078 GPVLLKMM C40H73N9O9S2 887.4973 NA PeJP NA NA +PJ067079 AAKKERW C40H65N13O10 887.4978 NA PeJP NA NA +PJ067080 NMRRRR C33H65N19O8S 887.4985 NA PeJP NA NA +PJ067081 VVVEMRR C37H69N13O10S 887.5011 NA PeJP NA NA +PJ067082 ALLEMRR C37H69N13O10S 887.5012 NA PeJP NA NA +PJ067083 LQKKWW C45H65N11O8 887.5018 NA PeJP NA NA +PJ067084 GSKERRR C34H65N17O11 887.505 NA PeJP NA NA +PJ067085 GLLLMRW C42H69N11O8S 887.5052 NA PeJP NA NA +PJ067086 TLLKEER C38H69N11O13 887.5077 NA PeJP NA NA +PJ067087 PLLKMMR C39H73N11O8S2 887.5085 NA PeJP NA NA +PJ067088 DKKRRW C39H65N15O9 887.509 NA PeJP NA NA +PJ067089 SLLLKEW C43H69N9O11 887.5117 NA PeJP NA NA +PJ067090 GLQKMRR C36H69N15O9S 887.5124 NA PeJP NA NA +PJ067091 AALLLKEM C40H73N9O11S 887.5151 NA PeJP NA NA +PJ067092 GSTRRRR C33H65N19O10 887.5162 NA PeJP NA NA +PJ067093 TTLLERR C37H69N13O12 887.5189 NA PeJP NA NA +PJ067094 SKRRRW C38H65N17O8 887.5202 NA PeJP NA NA +PJ067095 GLLHHRR C38H65N17O8 887.5203 NA PeJP NA NA +MJ096991 Patellazole A C49H77NO11S 887.521733 NA MeJP NA NA +PJ067096 STLLLRW C42H69N11O10 887.5229 NA PeJP NA NA +PJ067097 AAKMRRR C35H69N17O8S 887.5236 NA PeJP NA NA +PJ067098 VLLKEMR C39H73N11O10S 887.5263 NA PeJP NA NA +PJ067099 PVVLKFW C47H69N9O8 887.527 NA PeJP NA NA +PJ067100 ATKKERR C36H69N15O11 887.5301 NA PeJP NA NA +PJ067101 GGGGTKKKR C36H69N15O11 887.5302 NA PeJP NA NA +PJ067102 VVLLKMW C44H73N9O8S 887.5303 NA PeJP NA NA +PJ067103 ATTLLLKE C40H73N9O13 887.5328 NA PeJP NA NA +PJ067104 GTLKKRW C41H69N13O9 887.5342 NA PeJP NA NA +MJ096992 Acuminatum; Acuminatum A C45H73N7O11 887.536806 NA MeJP NA NA +MJ096993 Acuminatum; Acuminatum B C45H73N7O11 887.536806 NA MeJP NA NA +PJ067105 SLLLMRR C38H73N13O9S 887.5375 NA PeJP NA NA +PJ067106 LKKKWW C46H69N11O7 887.5382 NA PeJP NA NA +PJ067107 ATTKRRR C35H69N17O10 887.5414 NA PeJP NA NA +PJ067108 ATTTLLLR C39H73N11O12 887.544 NA PeJP NA NA +PJ067109 SSSLLLLR C39H73N11O12 887.5441 NA PeJP NA NA +PJ067110 GPKKFRR C40H69N15O8 887.5454 NA PeJP NA NA +PJ067111 AAPLLLKY C44H73N9O10 887.5481 NA PeJP NA NA +PJ067112 GLKKMRR C37H73N15O8S 887.5488 NA PeJP NA NA +PJ067113 GTLLLLKM C41H77N9O10S 887.5515 NA PeJP NA NA +PJ067114 SLKKKER C38H73N13O11 887.5553 NA PeJP NA NA +PJ067115 SVLKKKW C43H73N11O9 887.5593 NA PeJP NA NA +PJ067116 LLQKKKM C40H77N11O9S 887.5627 NA PeJP NA NA +PJ067117 STLKKRR C37H73N15O10 887.5665 NA PeJP NA NA +PJ067118 STTLLLLK C41H77N9O12 887.5692 NA PeJP NA NA +PJ067119 ALLLFRR C42H73N13O8 887.5705 NA PeJP NA NA +PJ067120 VVVLFRR C42H73N13O8 887.5706 NA PeJP NA NA +PJ067121 VVKKKMR C39H77N13O8S 887.5739 NA PeJP NA NA +PJ067122 GTTLLKKK C40H77N11O11 887.5804 NA PeJP NA NA +PJ067123 AALLLLKF C45H77N9O9 887.5845 NA PeJP NA NA +PJ067124 TQKKKKK C39H77N13O10 887.5917 NA PeJP NA NA +PJ067125 VLLLKFR C44H77N11O8 887.5957 NA PeJP NA NA +PJ067126 LLKKKKM C41H81N11O8S 887.5991 NA PeJP NA NA +PJ067127 TKKKKKK C40H81N13O9 887.6281 NA PeJP NA NA +HMDB04832 Galabiosylceramide (d18:1/9Z-18:1) C48H89NO13 887.63336 http://www.hmdb.ca/metabolites/HMDB04832 HMDB NA NA +HMDB04832 Galabiosylceramide (d18:1/9Z-18:1) C48H89NO13 887.63336 HMDB04832 PFEM_hmdb_metabocards_official NA NA +HMDB04832 Galabiosylceramide (d18:1/9Z-18:1) C48H89NO13 887.633362 NA HMDB2010 NA NA +HMDB11592 Lactosyceramide (d18:1/18:1(9Z)) C48H89NO13 887.633362 NA HMDB2010 NA NA +HMDB08583 PC(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C52H90NO8P 887.640381 NA HMDB2010 NA NA +HMDB08614 PC(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C52H90NO8P 887.640381 NA HMDB2010 NA NA +HMDB08615 PC(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C52H90NO8P 887.640381 NA HMDB2010 NA NA +HMDB08678 PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)) C52H90NO8P 887.640381 NA HMDB2010 NA NA +HMDB08711 PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)) C52H90NO8P 887.640381 NA HMDB2010 NA NA +HMDB08743 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z)) C52H90NO8P 887.640381 NA HMDB2010 NA NA +HMDB09508 PE(22:0/24:0) C51H102NO8P 887.734314 NA HMDB2010 NA NA +HMDB09732 PE(24:0/22:0) C51H102NO8P 887.734314 NA HMDB2010 NA NA +PJ067128 CCCCCCDH C28H44N10O11S6 888.1516 NA PeJP NA NA +PJ067129 CCCCNNDD C28H44N10O15S4 888.1871 NA PeJP NA NA +PJ067130 SCCCCCMH C29H48N10O10S6 888.188 NA PeJP NA NA +PJ067131 SCCCDDDE C29H44N8O18S3 888.1936 NA PeJP NA NA +PJ067132 PCCCCDDM C30H48N8O13S5 888.1945 NA PeJP NA NA +PJ067133 GSPCCCCCN C29H48N10O12S5 888.2057 NA PeJP NA NA +PJ067134 GCCDDDMM C30H48N8O15S4 888.2122 NA PeJP NA NA +PJ067135 ACCCCCHF C33H48N10O9S5 888.221 NA PeJP NA NA +PJ067136 SCCCNNDM C29H48N10O14S4 888.2235 NA PeJP NA NA +MJ096994 3,3',4',5,7-Pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan-4-acetic acid, 3C,3'C,3''C-Trideoxy, Me ester C48H40O17 888.226549 NA MeJP NA NA +PJ067137 GCCDDDDF C33H44N8O17S2 888.2266 NA PeJP NA NA +PJ067138 CCCDEMW C34H48N8O12S4 888.2275 NA PeJP NA NA +PJ067139 SSCCDDEM C30H48N8O17S3 888.23 NA PeJP NA NA +PJ067140 SPCCCDMM C31H52N8O12S5 888.2309 NA PeJP NA NA +PJ067141 GCCCDDHH C31H44N12O13S3 888.2313 NA PeJP NA NA +FL5FAAGS0134 Kaempferol 3-apioside-7-rhamnosyl-(1->6)-(2''-(E)-caffeoylglactoside) C41H44O22 888.23242 474779-40-3 knapsack NA NA +MJ096995 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-(4-hydroxycinnamoyl)-(?6)-?-D-glucopyranoside](E-), 5-O-?-D-glucopyranoside C41H45O22(+) 888.232423 NA MeJP NA NA +MJ096996 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-(4-hydroxycinnamoyl)-(?6)-?-D-glucopyranoside](Z-), 5-O-?-D-glucopyranoside C41H45O22(+) 888.232423 NA MeJP NA NA +PJ067142 GSCCCCQW C33H48N10O11S4 888.2387 NA PeJP NA NA +PJ067143 GSSSCCCNE C29H48N10O16S3 888.2412 NA PeJP NA NA +PJ067144 GCCCNQMM C30H52N10O11S5 888.2421 NA PeJP NA NA +PJ067145 GSCDDDDY C33H44N8O19S 888.2444 NA PeJP NA NA +PJ067146 GPCCCDEY C34H48N8O14S3 888.2453 NA PeJP NA NA +MJ096997 3,4',5,7-Tetrahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-(4-Hydroxy-3,5-dimethoxybenzoyl), 3-O-?-L-rhamnopyranoside C45H44O19 888.247679 NA MeJP NA NA +PJ067147 GSCDDMMM C31H52N8O14S4 888.2486 NA PeJP NA NA +PJ067148 APCCCMMM C32H56N8O9S6 888.2495 NA PeJP NA NA +PJ067149 SPCCCCHH C32H48N12O10S4 888.25 NA PeJP NA NA +PJ067150 GCCCCNMR C29H52N12O10S5 888.2533 NA PeJP NA NA +FL5FAAGL0056 Kaempferol 3-(2G-xylosylrutinoside)-7-glucoside C38H48O24 888.25355 131559-51-8 knapsack NA NA +FL5FACGS0089 Quercetin 7-[xylosyl-(1->2)-rhamnosyl-(1->2)-rhamnosyl]-(1->6)-glucoside C38H48O24 888.25355 - knapsack NA NA +PJ067151 SSSCCCNW C33H48N10O13S3 888.2565 NA PeJP NA NA +PJ067152 SSSSSCCND C29H48N10O18S2 888.259 NA PeJP NA NA +PJ067153 SSCCNNMM C30H52N10O13S4 888.2598 NA PeJP NA NA +PJ067154 GGSSCCNMM C30H52N10O13S4 888.2599 NA PeJP NA NA +PJ067155 PCCCDYW C38H48N8O11S3 888.2605 NA PeJP NA NA +PJ067156 CNDDEMY C34H48N8O16S2 888.263 NA PeJP NA NA +PJ067157 SCCEMMW C35H52N8O11S4 888.2639 NA PeJP NA NA +PJ067158 SSSCDEMM C31H52N8O16S3 888.2664 NA PeJP NA NA +PJ067159 GCNNDDDH C31H44N12O17S 888.2669 NA PeJP NA NA +PJ067160 CNEMMMM C32H56N8O11S5 888.2672 NA PeJP NA NA +PJ067161 GGCEMMMM C32H56N8O11S5 888.2673 NA PeJP NA NA +PJ067162 GSCCDMHH C32H48N12O12S3 888.2677 NA PeJP NA NA +PJ067163 SSCCCCQR C29H52N12O12S4 888.2711 NA PeJP NA NA +PJ067164 CCCNNFW C37H48N10O10S3 888.2717 NA PeJP NA NA +PJ067165 GGGGCCCFW C37H48N10O10S3 888.2718 NA PeJP NA NA +PJ067166 GSDDDDEH C32H44N10O20 888.2734 NA PeJP NA NA +PJ067167 CCDDDRY C33H48N10O15S2 888.2742 NA PeJP NA NA +PJ067168 GGGGGSCCEY C33H48N10O15S2 888.2743 NA PeJP NA NA +PJ067169 GSCCCCKW C34H52N10O10S4 888.2751 NA PeJP NA NA +PJ067170 GSSSSCCQM C30H52N10O15S3 888.2776 NA PeJP NA NA +PJ067171 GCDDMYW C38H48N8O13S2 888.2783 NA PeJP NA NA +PJ067172 CCDMMMR C31H56N10O10S5 888.2785 NA PeJP NA NA +PJ067173 PCCCMFW C39H52N8O8S4 888.2791 NA PeJP NA NA +PJ067174 GSSDDDMY C34H48N8O18S 888.2808 NA PeJP NA NA +PJ067175 GSPCCEMY C35H52N8O13S3 888.2816 NA PeJP NA NA +PJ067176 GCMMMMW C36H56N8O8S5 888.2825 NA PeJP NA NA +PJ067177 TCCCHHW C36H48N12O9S3 888.283 NA PeJP NA NA +MJ096998 Catalpol; 6-O-[4-Hydroxy-Z-cinnamoyl-(?4)-2,3-di-O-benzoyl-?-L-rhamnopyranoside] C46H48O18 888.284064 NA MeJP NA NA +PJ067178 GSSDMMMM C32H56N8O13S4 888.285 NA PeJP NA NA +PJ067179 SSSCCEHH C32H48N12O14S2 888.2855 NA PeJP NA NA +PJ067180 CCQMMHH C33H52N12O9S4 888.2863 NA PeJP NA NA +PJ067181 GACCMMHH C33H52N12O9S4 888.2864 NA PeJP NA NA +PJ067182 SDDDDHW C36H44N10O17 888.2886 NA PeJP NA NA +PJ067183 GSSSSCCCR C29H52N12O14S3 888.2888 NA PeJP NA NA +PJ067184 SCCNNYW C37H48N10O12S2 888.2895 NA PeJP NA NA +PJ067185 ACCCCCKR C30H56N12O9S5 888.2897 NA PeJP NA NA +MJ096999 2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3-hydroxy-4-O-?-D-xylopyranosyloxy-E-cinnamoyl-(?4)][?-D-xylopyranosyl-(?6)]-?-D-glucopyranoside] C39H52O23 888.289937 NA MeJP NA NA +MJ097000 Forsythoside B; 2'''-O-?-L-Arabinopyranosyl C39H52O23 888.289937 NA MeJP NA NA +PJ067186 SSSCNNDY C33H48N10O17S 888.292 NA PeJP NA NA +MJ097001 Decatromicin A; 4'',5''-Dichloro C45H55Cl3N2O10 888.292229 NA MeJP NA NA +PJ067187 CNNNMMY C34H52N10O12S3 888.2929 NA PeJP NA NA +PJ067188 CCEYWW C42H48N8O10S2 888.2935 NA PeJP NA NA +MJ097002 Perdeacyleuojaponin; 1-(3-Pyridinecarbonyl), 6-benzoyl, 8,9,14-tri-Ac C45H48N2O17 888.295298 NA MeJP NA NA +PJ067189 SSSSTTCCN C30H52N10O17S2 888.2953 NA PeJP NA NA +PJ067190 SSSSSSCNM C30H52N10O17S2 888.2954 NA PeJP NA NA +PJ067191 SSCDEYW C38H48N8O15S 888.296 NA PeJP NA NA +PJ067192 SSCCCQKM C31H56N10O12S4 888.2962 NA PeJP NA NA +PJ067193 GCCNNNQH C31H48N14O13S2 888.2967 NA PeJP NA NA +PJ067194 SPCCMYW C39H52N8O10S3 888.2969 NA PeJP NA NA +PJ067195 CCCMHHR C32H52N14O8S4 888.2976 NA PeJP NA NA +PJ067196 SSSSDDEY C34H48N8O20 888.2985 NA PeJP NA NA +PJ067197 SNDEMMY C35H52N8O15S2 888.2994 NA PeJP NA NA +PJ067198 CDYYYY C43H48N6O13S 888.3 NA PeJP NA NA +PJ067199 STCMMMW C36H56N8O10S4 888.3002 NA PeJP NA NA +PJ067200 PCNMMMY C36H56N8O10S4 888.3003 NA PeJP NA NA +PJ067201 CCNEHHF C36H48N12O11S2 888.3007 NA PeJP NA NA +PJ067202 SSSSEMMM C32H56N8O15S3 888.3028 NA PeJP NA NA +PJ067203 CDDDEHR C32H48N12O16S 888.3032 NA PeJP NA NA +PJ067204 GGGGGSDDMH C32H48N12O16S 888.3033 NA PeJP NA NA +PJ067205 SQMMMMM C33H60N8O10S5 888.3036 NA PeJP NA NA +PJ067206 CCCNQRY C33H52N12O11S3 888.3041 NA PeJP NA NA +FL5FCAGL0010 Rhamnocitrin 3-glucoside-4'-(2''-dihydrophaseoylglucoside) C43H52O20 888.30519 138505-45-0 knapsack NA NA +FL5FCAGL0011 Rhamnocitrin 3-glucoside-4'-(3''-dihydrophaseoylglucoside) C43H52O20 888.30519 142449-94-3 knapsack NA NA +MJ097003 Complanatin C43H52O20 888.305194 NA MeJP NA NA +PJ067207 CNNNDFY C37H48N10O14S 888.3072 NA PeJP NA NA +PJ067208 GDDEMHW C37H48N10O14S 888.3073 NA PeJP NA NA +PJ067209 SSCCCCKR C30H56N12O11S4 888.3075 NA PeJP NA NA +PJ067210 GSSDEEEH C33H48N10O19 888.3098 NA PeJP NA NA +PJ067211 SCDDMRY C34H52N10O14S2 888.3106 NA PeJP NA NA +PJ067212 NDDDHHH C34H44N14O15 888.3111 NA PeJP NA NA +PJ067213 GCDDFFW C42H48N8O12S 888.3113 NA PeJP NA NA +PJ067214 APPCCMMH C35H56N10O9S4 888.3115 NA PeJP NA NA +PJ067215 GSSSSSSSTC C30H52N10O19S 888.3131 NA PeJP NA NA +PJ067216 GNDEEYY C38H48N8O17 888.3138 NA PeJP NA NA +PJ067217 GSSSSCCKM C31H56N10O14S3 888.314 NA PeJP NA NA +PJ067218 SSCNNNNH C31H48N14O15S 888.3145 NA PeJP NA NA +PJ067219 GSDMMYW C39H52N8O12S2 888.3146 NA PeJP NA NA +PJ067220 GGPCDMFY C39H52N8O12S2 888.3147 NA PeJP NA NA +PJ067221 SCMMMMR C32H60N10O9S5 888.3149 NA PeJP NA NA +PJ067222 GPCCCNHR C32H52N14O10S3 888.3153 NA PeJP NA NA +PJ067223 GGGPCCCHR C32H52N14O10S3 888.3154 NA PeJP NA NA +PJ067224 GCCHHFW C40H48N12O8S2 888.316 NA PeJP NA NA +PJ067225 GSSSEEMY C35H52N8O17S 888.3171 NA PeJP NA NA +PJ067226 GPPDDEEM C35H52N8O17S 888.3172 NA PeJP NA NA +PJ067227 GQEMMMY C36H56N8O12S3 888.318 NA PeJP NA NA +PJ067228 SCNNEHW C36H48N12O13S 888.3185 NA PeJP NA NA +PJ067229 CMFYYY C44H52N6O10S2 888.3187 NA PeJP NA NA +PJ067230 SSSNNDEH C32H48N12O18 888.321 NA PeJP NA NA +PJ067231 GSTTMMMM C33H60N8O12S4 888.3214 NA PeJP NA NA +PJ067232 GSSCCNRY C33H52N12O13S2 888.3219 NA PeJP NA NA +PJ067233 DDMHWW C41H48N10O11S 888.3225 NA PeJP NA NA +PJ067234 CCKMMHH C34H56N12O8S4 888.3227 NA PeJP NA NA +PJ067235 SSDEEHW C37H48N10O16 888.325 NA PeJP NA NA +PJ067236 SPCEMHW C38H52N10O11S2 888.3259 NA PeJP NA NA +MJ097004 2-Hydroxy-2-(2-methylpropyl)butanedioic acid, O-?-D-Glucopyranoside, bis(4-O-?-D-glucopyranosyloxybenzyl) ester, C40H56O22 888.326323 NA MeJP NA NA +PJ067237 SSSSNNMY C34H52N10O16S 888.3284 NA PeJP NA NA +PJ067238 NDEYYW C42H48N8O14 888.329 NA PeJP NA NA +PJ067239 GCEMMRY C35H56N10O11S3 888.3292 NA PeJP NA NA +PJ067240 VCCDMRY C35H56N10O11S3 888.3293 NA PeJP NA NA +PJ067241 GSPCDHHH C35H48N14O12S 888.3297 NA PeJP NA NA +PJ067242 TCMYWW C43H52N8O9S2 888.3299 NA PeJP NA NA +PJ067243 SSSSSSSSSS C30H52N10O21 888.3309 NA PeJP NA NA +PJ067244 SSSSSTCCK C31H56N10O16S2 888.3317 NA PeJP NA NA +PJ067245 GNNNNNNE C31H48N14O17 888.3322 NA PeJP NA NA +PJ067246 GGGGGGGGGNNE C31H48N14O17 888.3323 NA PeJP NA NA +PJ067247 SSSEMYW C39H52N8O14S 888.3324 NA PeJP NA NA +PJ067248 SSCCCKKM C32H60N10O11S4 888.3326 NA PeJP NA NA +PJ067249 CNNDMHR C32H52N14O12S2 888.3331 NA PeJP NA NA +PJ067250 QMMMYW C40H56N8O9S3 888.3333 NA PeJP NA NA +PJ067251 GSCNHWW C40H48N12O10S 888.3337 NA PeJP NA NA +PJ067252 GGGSCHWW C40H48N12O10S 888.3338 NA PeJP NA NA +PJ067253 SSSSTEEY C35H52N8O19 888.3349 NA PeJP NA NA +PJ067254 STQEMMY C36H56N8O14S2 888.3358 NA PeJP NA NA +PJ067255 GSSSNDHW C36H48N12O15 888.3362 NA PeJP NA NA +PJ067256 GGGSSSDHW C36H48N12O15 888.3363 NA PeJP NA NA +PJ067257 SMYYYY C44H52N6O12S 888.3364 NA PeJP NA NA +PJ067258 AQMMMMF C37H60N8O9S4 888.3366 NA PeJP NA NA +PJ067259 GAAMMMMF C37H60N8O9S4 888.3367 NA PeJP NA NA +PJ067260 GNNMMHW C37H52N12O10S2 888.3371 NA PeJP NA NA +PJ067261 SSTTTMMM C33H60N8O14S3 888.3391 NA PeJP NA NA +PJ067262 SDDEMHR C33H52N12O15S 888.3396 NA PeJP NA NA +PJ067263 GGGGGGGGGPEM C33H52N12O15S 888.3397 NA PeJP NA NA +PJ067264 SKMMMMM C34H64N8O9S5 888.34 NA PeJP NA NA +PJ067265 GPNDDWW C41H48N10O13 888.3403 NA PeJP NA NA +PJ067266 CCCNKRY C34H56N12O10S3 888.3405 NA PeJP NA NA +PJ067267 CNNQHHH C34H48N16O11S 888.341 NA PeJP NA NA +PJ067268 PPCCHFW C42H52N10O8S2 888.3411 NA PeJP NA NA +MJ097005 Bussein G C44H56O19 888.341579 NA MeJP NA NA +PJ067269 GTEEMHW C38H52N10O13S 888.3436 NA PeJP NA NA +PJ067270 GGGSPPCEW C38H52N10O13S 888.3437 NA PeJP NA NA +PJ067271 GDYYWW C46H48N8O11 888.3443 NA PeJP NA NA +PJ067272 CMMRYW C39H56N10O8S3 888.3445 NA PeJP NA NA +PJ067273 GSSSSSSQY C34H52N10O18 888.3461 NA PeJP NA NA +PJ067274 PDDEEER C34H52N10O18 888.3462 NA PeJP NA NA +PJ067275 SSDMMRY C35H56N10O13S2 888.347 NA PeJP NA NA +PJ067276 NNNNNNW C35H48N14O14 888.3475 NA PeJP NA NA +PJ067277 GPTCYYW C43H52N8O11S 888.3477 NA PeJP NA NA +PJ067278 ACMMMFR C36H60N10O8S4 888.3479 NA PeJP NA NA +PJ067279 ACCNHRW C36H52N14O9S2 888.3483 NA PeJP NA NA +PJ067280 GCCQHRW C36H52N14O9S2 888.3484 NA PeJP NA NA +PJ067281 ASQEEYY C39H52N8O16 888.3501 NA PeJP NA NA +PJ067282 APEEEEW C39H52N8O16 888.3502 NA PeJP NA NA +PJ067283 GSSCNEHR C32H52N14O14S 888.3509 NA PeJP NA NA +PJ067284 GTTMMYW C40H56N8O11S2 888.351 NA PeJP NA NA +PJ067285 GNNDHFW C40H48N12O12 888.3515 NA PeJP NA NA +PJ067286 CFFFYY C48H52N6O9S 888.3517 NA PeJP NA NA +PJ067287 GSTTTEMY C36H56N8O16S 888.3535 NA PeJP NA NA +PJ067288 GKEMMMY C37H60N8O11S3 888.3544 NA PeJP NA NA +PJ067289 SSNQMHW C37H52N12O12S 888.3549 NA PeJP NA NA +PJ067290 GSPNDDER C33H52N12O17 888.3574 NA PeJP NA NA +8083 peptide derived from tuna cooking juice PSHDAHPE 888.3579 inhibitor Inhouse_peptide NA peptide +PJ067291 GEEMMHR C34H56N12O12S2 888.3582 NA PeJP NA NA +PJ067292 VCDEMHR C34H56N12O12S2 888.3583 NA PeJP NA NA +PJ067293 GSSNNHHH C34H48N16O13 888.3587 NA PeJP NA NA +PJ067294 TEMHWW C42H52N10O10S 888.3589 NA PeJP NA NA +PJ067295 PCCHHHR C35H52N16O8S2 888.3596 NA PeJP NA NA +PJ067296 STTEEHW C38H52N10O15 888.3614 NA PeJP NA NA +PJ067297 GVEMMHW C39H56N10O10S2 888.3623 NA PeJP NA NA +PJ067298 GSEHHHW C39H48N14O11 888.3627 NA PeJP NA NA +PJ067299 GMFYWW C47H52N8O8S 888.3629 NA PeJP NA NA +PJ067300 SSSSCQKY C35H56N10O15S 888.3648 NA PeJP NA NA +PJ067301 TQEYYW C43H52N8O13 888.3654 NA PeJP NA NA +PJ067302 GTMMMRY C36H60N10O10S3 888.3656 NA PeJP NA NA +PJ067303 GGPPPCCKM C36H60N10O10S3 888.3657 NA PeJP NA NA +PJ067304 SSCNHRW C36H52N14O11S 888.3661 NA PeJP NA NA +PJ067305 QMMFFW C44H56N8O8S2 888.3663 NA PeJP NA NA +PJ067306 SSSSNDHR C32H52N14O16 888.3686 NA PeJP NA NA +PJ067307 GGGGGGGGGGGDK C32H52N14O16 888.3687 NA PeJP NA NA +PJ067308 STTTMYW C40H56N8O13S 888.3688 NA PeJP NA NA +PJ067309 AFYYYY C48H52N6O11 888.3694 NA PeJP NA NA +PJ067310 SNNMMHR C33H56N14O11S2 888.3695 NA PeJP NA NA +PJ067311 KMMMYW C41H60N8O8S3 888.3697 NA PeJP NA NA +PJ067312 GNMHHFF C41H52N12O9S 888.3701 NA PeJP NA NA +PJ067313 SSTTTTEY C36H56N8O18 888.3713 NA PeJP NA NA +PJ067314 STKEMMY C37H60N8O13S2 888.3722 NA PeJP NA NA +PJ067315 SPNDDRW C37H52N12O14 888.3726 NA PeJP NA NA +PJ067316 GGGGGAAQEW C37H52N12O14 888.3727 NA PeJP NA NA +PJ067317 AKMMMMF C38H64N8O8S4 888.373 NA PeJP NA NA +PJ067318 EMMHRW C38H56N12O9S2 888.3735 NA PeJP NA NA +PJ067319 STEEMHR C34H56N12O14S 888.376 NA PeJP NA NA +PJ067320 ASPNEWW C42H52N10O12 888.3766 NA PeJP NA NA +PJ067321 GSPQEWW C42H52N10O12 888.3767 NA PeJP NA NA +PJ067322 SPMMMHR C35H60N12O9S3 888.3769 NA PeJP NA NA +PJ067323 ACEHHHR C35H52N16O10S 888.3773 NA PeJP NA NA +PJ067324 GDMHHHR C35H52N16O10S 888.3774 NA PeJP NA NA +PJ067325 VMMHWW C43H56N10O7S2 888.3775 NA PeJP NA NA +PJ067326 SHHHWW C43H48N14O8 888.378 NA PeJP NA NA +PJ067327 GSNNNNNR C31H52N16O15 888.3798 NA PeJP NA NA +PJ067328 GGGGGSNNNR C31H52N16O15 888.3799 NA PeJP NA NA +PJ067329 SSLEMHW C39H56N10O12S 888.38 NA PeJP NA NA +PJ067330 ATYYWW C47H52N8O10 888.3807 NA PeJP NA NA +PJ067331 AAMHHHW C40H52N14O8S 888.3814 NA PeJP NA NA +PJ067332 GSSSSSSKY C35H56N10O17 888.3825 NA PeJP NA NA +PJ067333 GGGGAALEEE C35H56N10O17 888.3826 NA PeJP NA NA +PJ067334 STTMMRY C36H60N10O12S2 888.3834 NA PeJP NA NA +PJ067335 GNNNERW C36H52N14O13 888.3839 NA PeJP NA NA +PJ067336 VQMYYW C44H56N8O10S 888.384 NA PeJP NA NA +PJ067337 PPPDMFW C44H56N8O10S 888.3841 NA PeJP NA NA +PJ067338 GCCKHRW C37H56N14O8S2 888.3847 NA PeJP NA NA +PJ067339 GQHHHHH C37H48N18O9 888.3852 NA PeJP NA NA +PJ067340 GTKEEYY C40H56N8O15 888.3865 NA PeJP NA NA +PJ067341 SPLEEEW C40H56N8O15 888.3866 NA PeJP NA NA +PJ067342 PCNDERR C33H56N14O13S 888.3872 NA PeJP NA NA +PJ067343 GGPCDERR C33H56N14O13S 888.3873 NA PeJP NA NA +PJ067344 PPVEMMW C41H60N8O10S2 888.3874 NA PeJP NA NA +PJ067345 NQQQWW C41H52N12O11 888.3879 NA PeJP NA NA +PJ067346 SSSTTLMY C37H60N8O15S 888.3899 NA PeJP NA NA +PJ067347 SVKMMMY C38H64N8O10S3 888.3908 NA PeJP NA NA +PJ067348 SSNKMHW C38H56N12O11S 888.3912 NA PeJP NA NA +PJ067349 GPNEMRW C38H56N12O11S 888.3913 NA PeJP NA NA +PJ067350 SPQWWW C46H52N10O9 888.3919 NA PeJP NA NA +PJ067351 SSSSQKEH C34H56N12O16 888.3937 NA PeJP NA NA +PJ067352 AQQEEER C34H56N12O16 888.3938 NA PeJP NA NA +PJ067353 SVEMMHR C35H60N12O11S2 888.3946 NA PeJP NA NA +PJ067354 SSEHHHR C35H52N16O12 888.3951 NA PeJP NA NA +PJ067355 AAPQMWW C43H56N10O9S 888.3953 NA PeJP NA NA +PJ067356 GFFFWW C51H52N8O7 888.3959 NA PeJP NA NA +PJ067357 SPNKEEW C39H56N10O14 888.3978 NA PeJP NA NA +PJ067358 GSSSCHRR C32H56N16O12S 888.3985 NA PeJP NA NA +PJ067359 ATLMMHW C40H60N10O9S2 888.3986 NA PeJP NA NA +PJ067360 SVVMMHW C40H60N10O9S2 888.3987 NA PeJP NA NA +MJ097006 Premnaodoroside D; 8,10/8',10'-Didehydro C42H64O20 888.399094 NA MeJP NA NA +MJ097007 Strophanthidinic acid; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-D-ribo-hexopyranoside] C42H64O20 888.399094 NA MeJP NA NA +PJ067361 NNNRWW C40H52N14O10 888.3991 NA PeJP NA NA +PJ067362 SSSSCKKY C36H60N10O14S 888.4011 NA PeJP NA NA +PJ067363 PVEEEMR C36H60N10O14S 888.4012 NA PeJP NA NA +PJ067364 TKEYYW C44H56N8O12 888.4018 NA PeJP NA NA +PJ067365 VLQMMMH C37H64N10O9S3 888.402 NA PeJP NA NA +PJ067366 GPCDRRW C37H56N14O10S 888.4025 NA PeJP NA NA +PJ067367 KMMFFW C45H60N8O7S2 888.4027 NA PeJP NA NA +PJ067368 GNEEERR C33H56N14O15 888.405 NA PeJP NA NA +PJ067369 PVVEEMW C41H60N8O12S 888.4052 NA PeJP NA NA +PJ067370 GPPTCCRR C34H60N14O10S2 888.4059 NA PeJP NA NA +PJ067371 PNMRWW C42H56N12O8S 888.4065 NA PeJP NA NA +PJ067372 TTTTTTTY C37H60N8O17 888.4077 NA PeJP NA NA +PJ067373 SPPCLLEM C38H64N8O12S2 888.4085 NA PeJP NA NA +PJ067374 APPTLEMM C38H64N8O12S2 888.4086 NA PeJP NA NA +PJ067375 AAQEERW C38H56N12O13 888.409 NA PeJP NA NA +PJ067376 GGGGGGGGGPLF C38H56N12O13 888.4091 NA PeJP NA NA +PJ067377 PPCCKRW C39H60N12O8S2 888.4099 NA PeJP NA NA +PJ067378 PPQHHHH C39H52N16O9 888.4104 NA PeJP NA NA +PJ067379 PNDKEMR C35H60N12O13S 888.4124 NA PeJP NA NA +PJ067380 GSPKEWW C43H56N10O11 888.413 NA PeJP NA NA +PJ067381 GGAALEWW C43H56N10O11 888.4131 NA PeJP NA NA +PJ067382 ALMMMHR C36H64N12O8S3 888.4133 NA PeJP NA NA +PJ067383 GCNHFRR C36H56N16O9S 888.4137 NA PeJP NA NA +MJ097008 Bryostatin 3 C46H64O17 888.41435 NA MeJP NA NA +PJ067384 GDDDRRR C32H56N16O14 888.4162 NA PeJP NA NA +PJ067385 GGGGGGSERR C32H56N16O14 888.4163 NA PeJP NA NA +PJ067386 TTTLMHW C40H60N10O11S 888.4164 NA PeJP NA NA +PJ067387 VQFFYW C48H56N8O9 888.4171 NA PeJP NA NA +PJ067388 VVEEEER C36H60N10O16 888.4189 NA PeJP NA NA +PJ067389 TLKEMMH C37H64N10O11S2 888.4198 NA PeJP NA NA +PJ067390 DQERRW C37H56N14O12 888.4202 NA PeJP NA NA +PJ067391 NEERRW C37H56N14O12 888.4203 NA PeJP NA NA +PJ067392 VKMYYW C45H60N8O9S 888.4204 NA PeJP NA NA +PJ067393 GKHHHHH C38H52N18O8 888.4216 NA PeJP NA NA +PJ067394 ALLEEEW C41H60N8O14 888.4229 NA PeJP NA NA +PJ067395 SPNEMRR C34H60N14O12S 888.4236 NA PeJP NA NA +PJ067396 GGGGGGGALMR C34H60N14O12S 888.4237 NA PeJP NA NA +PJ067397 GLKMMFY C42H64N8O9S2 888.4238 NA PeJP NA NA +PJ067398 VNERWW C42H56N12O10 888.4243 NA PeJP NA NA +PJ067399 GPTLLEEM C38H64N8O14S 888.4263 NA PeJP NA NA +PJ067400 GPPLLMMM C39H68N8O9S3 888.4272 NA PeJP NA NA +PJ067401 APTQMRW C39H60N12O10S 888.4276 NA PeJP NA NA +PJ067402 GPDKMRW C39H60N12O10S 888.4277 NA PeJP NA NA +PJ067403 SPKWWW C47H56N10O8 888.4283 NA PeJP NA NA +PJ067404 AQKEEER C35H60N12O15 888.4301 NA PeJP NA NA +PJ067405 GAAKEEER C35H60N12O15 888.4302 NA PeJP NA NA +PJ067406 TTLMMHR C36H64N12O10S2 888.431 NA PeJP NA NA +PJ067407 GSNNRRW C36H56N16O11 888.4315 NA PeJP NA NA +PJ067408 AAPKMWW C44H60N10O8S 888.4317 NA PeJP NA NA +PJ067409 GLQKEEW C40H60N10O13 888.4342 NA PeJP NA NA +PJ067410 VCNNQRR C33H60N16O11S 888.4348 NA PeJP NA NA +PJ067411 SPCDRRR C33H60N16O11S 888.4349 NA PeJP NA NA +PJ067412 PPCKKMW C41H64N10O8S2 888.435 NA PeJP NA NA +PJ067413 GERRWW C41H56N14O9 888.4355 NA PeJP NA NA +3796 NA WWPKHH~ 888.436 ACE inhibitor Inhouse_peptide NA peptide +PJ067414 SSTTLLMH C37H64N10O13S 888.4375 NA PeJP NA NA +PJ067415 GAPKKEEM C37H64N10O13S 888.4376 NA PeJP NA NA +PJ067416 PPVVEYW C45H60N8O11 888.4382 NA PeJP NA NA +PJ067417 VLKMMMH C38H68N10O8S3 888.4384 NA PeJP NA NA +PJ067418 GSPMRRW C38H60N14O9S 888.4389 NA PeJP NA NA +PJ067419 GVRWWW C46H56N12O7 888.4395 NA PeJP NA NA +PJ067420 GDKEERR C34H60N14O14 888.4414 NA PeJP NA NA +PJ067421 ATLKMYY C42H64N8O11S 888.4415 NA PeJP NA NA +PJ067422 PTLLEMW C42H64N8O11S 888.4416 NA PeJP NA NA +PJ067423 SCKKMHR C35H64N14O9S2 888.4422 NA PeJP NA NA +PJ067424 APQMMRR C35H64N14O9S2 888.4423 NA PeJP NA NA +PJ067425 LMHFRW C43H60N12O7S 888.4429 NA PeJP NA NA +3281 NA CRRETAWAC 888.444 celiac toxic Inhouse_peptide NA peptide +PJ067426 LLKEEEE C38H64N8O16 888.4441 NA PeJP NA NA +PJ067427 GPVLLEMM C39H68N8O11S2 888.4449 NA PeJP NA NA +PJ067428 AAKEERW C39H60N12O12 888.4454 NA PeJP NA NA +PJ067429 GCNQRRR C32H60N18O10S 888.4461 NA PeJP NA NA +PJ067430 GVHHHFR C40H56N16O8 888.4468 NA PeJP NA NA +PJ067431 PTQKEMR C36H64N12O12S 888.4488 NA PeJP NA NA +PJ067432 LQKEWW C44H60N10O10 888.4494 NA PeJP NA NA +MJ097009 Pectenotoxin 1; 43-Carboxylic acid C47H68O16 888.450736 NA MeJP NA NA +MJ097010 Pectenotoxin 1; 7-Epimer, 43-carboxylic acid C47H68O16 888.450736 NA MeJP NA NA +PJ067433 RRWWW C45H56N14O6 888.4508 NA PeJP NA NA +PJ067434 GSEERRR C33H60N16O13 888.4526 NA PeJP NA NA +PJ067435 APKKEMW C41H64N10O10S 888.4528 NA PeJP NA NA +PJ067436 VKFFYW C49H60N8O8 888.4534 NA PeJP NA NA +PJ067437 PPPVFFW C49H60N8O8 888.4535 NA PeJP NA NA +PJ067438 TLLEEER C37H64N10O15 888.4553 NA PeJP NA NA +PJ067439 PLLEMMR C38H68N10O10S2 888.4562 NA PeJP NA NA +PJ067440 DKERRW C38H60N14O11 888.4566 NA PeJP NA NA +MJ097011 11-Hydroxyhexadecanoic acid, O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C40H72O21 888.456609 NA MeJP NA NA +MJ097012 3,11-Dihydroxyhexadecanoic acid; 11-O-D-Fucopyranosyl-L-rhamnopyranosyl(D-glucopyranosyl)-L-rhamnopyranoside C40H72O21 888.456609 NA MeJP NA NA +PJ067441 GGGGATKRW C38H60N14O11 888.4567 NA PeJP NA NA +PJ067442 PPVLMFW C46H64N8O8S 888.4568 NA PeJP NA NA +PJ067443 HHHFRR C39H56N18O7 888.458 NA PeJP NA NA +PJ067444 SLLLEEW C42H64N8O13 888.4593 NA PeJP NA NA +PJ067445 GLQEMRR C35H64N14O11S 888.46 NA PeJP NA NA +2615 synthetic peptide inhibitors of (PEP) VYPFPGPI 888.46 NA Inhouse_peptide NA peptide +7492 ACE inhibitor (from bovine b-CN) VYPFPGPI 888.46 antioxidative Inhouse_peptide NA peptide +PJ067446 PVLLMMW C43H68N8O8S2 888.4602 NA PeJP NA NA +PJ067447 VDKRWW C43H60N12O9 888.4607 NA PeJP NA NA +PJ067448 AALLLEEM C39H68N8O13S 888.4627 NA PeJP NA NA +PJ067449 SSNNRRR C32H60N18O12 888.4638 NA PeJP NA NA +PJ067450 GGSSNRRR C32H60N18O12 888.4639 NA PeJP NA NA +PJ067451 APTKMRW C40H64N12O9S 888.464 NA PeJP NA NA +PJ067452 ALKWWW C48H60N10O7 888.4647 NA PeJP NA NA +PJ067453 AKKEEER C36H64N12O14 888.4665 NA PeJP NA NA +PJ067454 GGGADKKKE C36H64N12O14 888.4666 NA PeJP NA NA +PJ067455 PVQKMMR C37H68N12O9S2 888.4674 NA PeJP NA NA +PJ067456 SERRRW C37H60N16O10 888.4679 NA PeJP NA NA +PJ067457 PTTKKEW C41H64N10O12 888.4705 NA PeJP NA NA +PJ067458 GLKKEEW C41H64N10O12 888.4706 NA PeJP NA NA +PJ067459 SSPMRRR C34H64N16O10S 888.4712 NA PeJP NA NA +PJ067460 AAEMRRR C34H64N16O10S 888.4713 NA PeJP NA NA +MJ097013 Furost-5-ene-1,3,22,26-tetrol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 26-O-?-D-glucopyranoside C44H72O18 888.471865 NA MeJP NA NA +MJ097014 Spirostane-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] C44H72O18 888.471865 NA MeJP NA NA +MJ097015 Spirostane-2,3-diol, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C44H72O18 888.471865 NA MeJP NA NA +MJ097016 Spirostane-3,17,21-triol, 3-O-[?-L-Arabinopyranosyl-(1?3)[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] C44H72O18 888.471865 NA MeJP NA NA +MJ097017 Spirostane-3,24-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?3)]-?-D-galactopyranoside] C44H72O18 888.471865 NA MeJP NA NA +MJ097018 Spirostane-3,6-diol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] C44H72O18 888.471865 NA MeJP NA NA +PJ067461 SVRRWW C42H60N14O8 888.4719 NA PeJP NA NA +PJ067462 VLLEEMR C38H68N10O12S 888.4739 NA PeJP NA NA +MJ097019 Nostophycin C46H64N8O10 888.47454 NA MeJP NA NA +PJ067463 PPTLLYW C46H64N8O10 888.4746 NA PeJP NA NA +PJ067464 LQMRRW C39H64N14O8S 888.4753 NA PeJP NA NA +5434 human lactoferricin (LFh 18-31) TKCFQWQRNMRKVR 888.47615 MH2+ Inhouse_peptide NA peptide +HMDB09940 PIP(16:1(9Z)/18:0) C41H78O16P2 888.476501 NA HMDB2010 NA NA +PJ067465 ATKEERR C35H64N14O13 888.4778 NA PeJP NA NA +PJ067466 CLLLLEW C43H68N8O10S 888.4779 NA PeJP NA NA +PJ067467 VVLLEMW C43H68N8O10S 888.478 NA PeJP NA NA +PJ067468 APKMMRR C36H68N14O8S2 888.4786 NA PeJP NA NA +PJ067469 GVQHHRR C36H60N18O9 888.4791 NA PeJP NA NA +PJ067470 ATTLLLEE C39H68N8O15 888.4804 NA PeJP NA NA +PJ067471 ATTIILEE C39H68N8O15 888.4805 NA PeJP NA NA +PJ067472 APTLLLMM C40H72N8O10S2 888.4813 NA PeJP NA NA +PJ067473 GTLKERW C40H64N12O11 888.4818 NA PeJP NA NA +PJ067474 DMRRRR C33H64N18O9S 888.4825 NA PeJP NA NA +PJ067475 PTKKEMR C37H68N12O11S 888.4852 NA PeJP NA NA +PJ067476 LKKEWW C45H64N10O9 888.4858 NA PeJP NA NA +PJ067477 CLRRRW C38H64N16O7S 888.4865 NA PeJP NA NA +MJ097020 12-Oleanene-3,16,21,23,28-pentol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside], 16-benzoyl C48H72O15 888.487121 NA MeJP NA NA +MJ097021 Avermectin B1a; 22,23-Dihydro, 23S-hydroxy, 5-ketone C48H72O15 888.487121 NA MeJP NA NA +PJ067478 ATTERRR C34H64N16O12 888.489 NA PeJP NA NA +PJ067479 SPLKKMW C42H68N10O9S 888.4892 NA PeJP NA NA +PJ067480 QHHRRR C35H60N20O8 888.4903 NA PeJP NA NA +PJ067481 GAHHRRR C35H60N20O8 888.4904 NA PeJP NA NA +PJ067482 VKKKEEE C38H68N10O14 888.4917 NA PeJP NA NA +PJ067483 AAPLKKMM C39H72N10O9S2 888.4926 NA PeJP NA NA +PJ067484 GTTLRRW C39H64N14O10 888.493 NA PeJP NA NA +MJ097022 N-Deacyltunicamycin; N4''-(16-Methyloctadecanoyl) C42H72N4O16 888.494332 NA MeJP NA NA +PJ067485 AAPLLLEY C43H68N8O12 888.4957 NA PeJP NA NA +PJ067486 GLKEMRR C36H68N14O10S 888.4964 NA PeJP NA NA +PJ067487 TLKRWW C44H64N12O8 888.497 NA PeJP NA NA +PJ067488 GGKKKWW C44H64N12O8 888.4971 NA PeJP NA NA +PJ067489 GTLLLLEM C40H72N8O12S 888.4991 NA PeJP NA NA +PJ067490 GVLKMRW C41H68N12O8S 888.5004 NA PeJP NA NA +PJ067491 SLKKEER C37H68N12O13 888.5029 NA PeJP NA NA +PJ067492 PVKKMMR C38H72N12O8S2 888.5038 NA PeJP NA NA +MetaCyc04247 dihydrogeranylgeranyl-chlorophyll a [dihydrogeranylgeranyl-chl a;dihydroGG-chl a;dihydroGG-chlorophyll a;] C55H68N4O5MG1 888.504013 NA metacyc NA NA +PJ067493 AAPRRRY C38H64N16O9 888.5043 NA PeJP NA NA +PJ067494 SVLKKEW C42H68N10O11 888.5069 NA PeJP NA NA +PJ067495 GGAAPLLKY C42H68N10O11 888.507 NA PeJP NA NA +PJ067496 GTLMRRR C35H68N16O9S 888.5076 NA PeJP NA NA +MJ097023 Cholest-5-ene-1,3,16,22-tetrol, 1,3-Di-O-?-L-rhamnopyranoside, 16-O-?-D-glucopyranoside C45H76O17 888.508251 NA MeJP NA NA +MJ097024 Cholest-5-ene-1,3,16,22-tetrol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 16-O-?-L-rhamnopyranoside C45H76O17 888.508251 NA MeJP NA NA +MJ097025 Cholest-5-ene-1,3,16,22-tetrol, 16-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-galactopyranoside], 1-O-?-L-rhamnopyranoside C45H76O17 888.508251 NA MeJP NA NA +MJ097026 Cholest-5-ene-3,16,22-triol, 16-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-galactopyranoside], 3-O-?-D-glucopyranoside C45H76O17 888.508251 NA MeJP NA NA +MJ097027 Furostane-3,22,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H76O17 888.508251 NA MeJP NA NA +MJ097028 Semduramicin; 30-Hydroxy C45H76O17 888.508251 NA MeJP NA NA +PJ067497 PKFRRW C43H64N14O7 888.5083 NA PeJP NA NA +PJ067498 LLQKKEM C39H72N10O11S 888.5103 NA PeJP NA NA +PJ067499 PVVLLYW C47H68N8O9 888.511 NA PeJP NA NA +PJ067500 LKMRRW C40H68N14O7S 888.5117 NA PeJP NA NA +PJ067501 VTTKERR C36H68N14O12 888.5141 NA PeJP NA NA +PJ067502 STLKERR C36H68N14O12 888.5142 NA PeJP NA NA +PJ067503 TLLLLMW C44H72N8O9S 888.5143 NA PeJP NA NA +PJ067504 APPHRRR C37H64N18O8 888.5155 NA PeJP NA NA +PJ067505 STTLLLLE C40H72N8O14 888.5168 NA PeJP NA NA +PJ067506 GVLLLLMM C41H76N8O9S2 888.5177 NA PeJP NA NA +PJ067507 SSLLKRW C41H68N12O10 888.5182 NA PeJP NA NA +PJ067508 TLLQKMR C38H72N12O10S 888.5215 NA PeJP NA NA +PJ067509 VVKKEMR C38H72N12O10S 888.5216 NA PeJP NA NA +PJ067510 APLKKFW C46H68N10O8 888.5222 NA PeJP NA NA +PJ067511 STTLRRR C35H68N16O11 888.5254 NA PeJP NA NA +PJ067512 ALLKKMW C43H72N10O8S 888.5256 NA PeJP NA NA +PJ067513 KHHRRR C36H64N20O7 888.5267 NA PeJP NA NA +PJ067514 GTTLLKKE C39H72N10O13 888.5281 NA PeJP NA NA +PJ067515 LLLLMMR C40H76N10O8S2 888.5289 NA PeJP NA NA +PJ067516 GSKKKRW C40H68N14O9 888.5294 NA PeJP NA NA +PJ067517 GPTLLLLY C44H72N8O11 888.5321 NA PeJP NA NA +PJ067518 SVLKMRR C37H72N14O9S 888.5328 NA PeJP NA NA +PJ067519 SSLLLLLM C41H76N8O11S 888.5355 NA PeJP NA NA +PJ067520 GTTTLLKR C38H72N12O12 888.5393 NA PeJP NA NA +PJ067521 ALKKHHR C39H68N16O8 888.5406 NA PeJP NA NA +PJ067522 AALFRRR C39H68N16O8 888.5407 NA PeJP NA NA +PJ067523 TTLLKKW C43H72N10O10 888.5433 NA PeJP NA NA +PJ067524 ACKKKRR C36H72N16O8S 888.544 NA PeJP NA NA +PJ067525 LLKKKEM C40H76N10O10S 888.5467 NA PeJP NA NA +PJ067526 VVLLLFW C48H72N8O8 888.5473 NA PeJP NA NA +PJ067527 SDKKKKR C37H72N14O11 888.5505 NA PeJP NA NA +PJ067528 VFRRRR C38H68N18O7 888.5519 NA PeJP NA NA +PJ067529 ATKKKKW C42H72N12O9 888.5546 NA PeJP NA NA +PJ067530 TLLKKMR C39H76N12O9S 888.5579 NA PeJP NA NA +PJ067531 SSKKKRR C36H72N16O10 888.5618 NA PeJP NA NA +PJ067532 SSTLLLKK C40H76N10O12 888.5645 NA PeJP NA NA +PJ067533 GLLKFRR C41H72N14O8 888.5658 NA PeJP NA NA +PJ067534 AALLLLLY C45H76N8O10 888.5685 NA PeJP NA NA +PJ067535 AKKKKMR C38H76N14O8S 888.5692 NA PeJP NA NA +HMDB09792 PI(16:0/22:3(10Z,13Z,16Z)) C47H85O13P 888.572754 NA HMDB2010 NA NA +HMDB09813 PI(18:0/20:3(5Z,8Z,11Z)) C47H85O13P 888.572754 NA HMDB2010 NA NA +HMDB09814 PI(18:0/20:3(8Z,11Z,14Z)) C47H85O13P 888.572754 NA HMDB2010 NA NA +HMDB09852 PI(18:2(9Z,12Z)/20:1(11Z)) C47H85O13P 888.572754 NA HMDB2010 NA NA +HMDB09872 PI(20:1(11Z)/18:2(9Z,12Z)) C47H85O13P 888.572754 NA HMDB2010 NA NA +HMDB09880 PI(20:3(5Z,8Z,11Z)/18:0) C47H85O13P 888.572754 NA HMDB2010 NA NA +HMDB09887 PI(20:3(8Z,11Z,14Z)/18:0) C47H85O13P 888.572754 NA HMDB2010 NA NA +HMDB09907 PI(22:3(10Z,13Z,16Z)/16:0) C47H85O13P 888.572754 NA HMDB2010 NA NA +PJ067536 TKKKKKE C39H76N12O11 888.5757 NA PeJP NA NA +PJ067537 VLLLLRY C44H76N10O9 888.5797 NA PeJP NA NA +PJ067538 TTKKKKR C38H76N14O10 888.5869 NA PeJP NA NA +PJ067539 VVLKKFR C43H76N12O8 888.5909 NA PeJP NA NA +PJ067540 VKKKKKM C40H80N12O8S 888.5943 NA PeJP NA NA +PJ067541 LLLKKKF C45H80N10O8 888.6161 NA PeJP NA NA +HMDB05368 TG(16:0/18:0/20:1(11Z))[iso6] C57H108O6 888.814575 NA HMDB2010 NA NA +HMDB05381 TG(16:0/18:1(9Z)/20:0)[iso6] C57H108O6 888.814575 NA HMDB2010 NA NA +HMDB05395 TG(18:0/18:0/18:1(9Z))[iso3] C57H108O6 888.814575 NA HMDB2010 NA NA +HMDB05422 TG(16:1(9Z)/18:0/20:0)[iso6] C57H108O6 888.814575 NA HMDB2010 NA NA +HMDB10433 TG(18:0/18:0/18:1(11Z))[iso3] C57H108O6 888.814575 NA HMDB2010 NA NA +HMDB05368 TG(16:0/18:0/20:1(11Z))[iso6] C57H108O6 888.81458 http://www.hmdb.ca/metabolites/HMDB05368 HMDB NA NA +HMDB05381 TG(16:0/18:1(9Z)/20:0)[iso6] C57H108O6 888.81458 http://www.hmdb.ca/metabolites/HMDB05381 HMDB NA NA +HMDB05395 TG(18:0/18:0/18:1(9Z))[iso3] C57H108O6 888.81458 http://www.hmdb.ca/metabolites/HMDB05395 HMDB NA NA +HMDB05422 TG(16:1(9Z)/18:0/20:0)[iso6] C57H108O6 888.81458 http://www.hmdb.ca/metabolites/HMDB05422 HMDB NA NA +HMDB05368 TG(16:0/18:0/20:1(11Z))[iso6] C57H108O6 888.81458 HMDB05368 PFEM_hmdb_metabocards_official NA NA +HMDB05381 TG(16:0/18:1(9Z)/20:0)[iso6] C57H108O6 888.81458 HMDB05381 PFEM_hmdb_metabocards_official NA NA +HMDB05395 TG(18:0/18:0/18:1(9Z))[iso3] C57H108O6 888.81458 HMDB05395 PFEM_hmdb_metabocards_official NA NA +HMDB05422 TG(16:1(9Z)/18:0/20:0)[iso6] C57H108O6 888.81458 HMDB05422 PFEM_hmdb_metabocards_official NA NA +MJ097029 Glycerol trialkanoates (diacid, symmetrical); Glycerol 1,3-dioctadecanoate 2-(9Z-octadecenoate) C57H108O6 888.814591 NA MeJP NA NA +MJ097030 Glycerol trialkanoates (diacid, unsymmetrical); Glycerol 1,2-dioctadecanoate 3-(9Z-octadecenoate) C57H108O6 888.814591 NA MeJP NA NA +7439 coeliac toxic peptide QQPPFSQQQQQPLPQ 888.928 MH2+ Inhouse_peptide NA peptide +C02784 2-Fluorobenzoyl-CoA C28H39FN7O17P3S 889.132 NA KEGG NA NA +C02792 3-Fluorobenzoyl-CoA C28H39FN7O17P3S 889.132 NA KEGG NA NA +C02802 4-Fluorobenzoyl-CoA C28H39FN7O17P3S 889.132 NA KEGG NA NA +HMDB12180 6-Oxocyclohex-1-ene-1-carboxyl-CoA C28H42N7O18P3S 889.151978 NA HMDB2010 NA NA +MetaCyc04248 6-oxocyclohex-1-ene-1-carboxyl-CoA [6-oxocyclohex-1-ene-1-carbonyl-CoA;] C28H42N7O18P3S1 889.151988 NA metacyc NA NA +C09821 6-Ketoxycyclohex-1-ene-1-carboxyl-CoA C28H42N7O18P3S 889.152 NA KEGG NA NA +PJ067542 CCCCNDDD C28H43N9O16S4 889.1711 NA PeJP NA NA +HMDB02289 2-trans,4-trans-Octadienoyl-CoA C29H46N7O17P3S 889.18835 http://www.hmdb.ca/metabolites/HMDB02289 HMDB NA NA +HMDB02289 2-trans,4-trans-Octadienoyl-CoA C29H46N7O17P3S 889.18835 HMDB02289 PFEM_hmdb_metabocards_official NA NA +HMDB02289 2-trans,4-trans-Octadienoyl-CoA C29H46N7O17P3S 889.188354 NA HMDB2010 NA NA +PJ067543 GSPCCCCCD C29H47N9O13S5 889.1897 NA PeJP NA NA +PJ067544 CCCCCNNQ C28H47N11O12S5 889.201 NA PeJP NA NA +PJ067545 SCCCNDDM C29H47N9O15S4 889.2075 NA PeJP NA NA +PJ067546 PCCCCCQM C30H51N9O10S6 889.2084 NA PeJP NA NA +PJ067547 GSSCCCCNN C28H47N11O14S4 889.2187 NA PeJP NA NA +PJ067548 PCCCCCCR C29H51N11O9S6 889.2196 NA PeJP NA NA +PJ067549 GSCCCCEW C33H47N9O12S4 889.2227 NA PeJP NA NA +PJ067550 GSSSCCCDE C29H47N9O17S3 889.2252 NA PeJP NA NA +PJ067551 GCCCNEMM C30H51N9O12S5 889.2261 NA PeJP NA NA +PJ067552 CCCCCNNK C29H51N11O11S5 889.2373 NA PeJP NA NA +PJ067553 GCCCCDMR C29H51N11O11S5 889.2374 NA PeJP NA NA +PJ067554 SCCCCWW C37H47N9O9S4 889.238 NA PeJP NA NA +FL7AACGA0009 Cyanidin 3-[6-(6-p-coumarylglucosyl)-2-xylosylgalactoside] C41H45O22 889.24024 - knapsack NA NA +FL7AACGL0060 Cyanidin 3-(6''-(E)-p-coumarylsambubioside)-5-glucoside C41H45O22 889.24024 139906-05-1 knapsack NA NA +FL7AACGL0119 Cyanidin 3-(6''-(Z)-p-coumarylsambubioside)-5-glucoside C41H45O22 889.24024 756452-04-7 knapsack NA NA +PJ067555 SSSCCCDW C33H47N9O14S3 889.2405 NA PeJP NA NA +PJ067556 CCCNMMW C34H51N9O9S5 889.2414 NA PeJP NA NA +PJ067557 SSSSSCCDD C29H47N9O19S2 889.243 NA PeJP NA NA +PJ067558 SSCCNDMM C30H51N9O14S4 889.2439 NA PeJP NA NA +PJ067559 PCCCCCKM C31H55N9O9S6 889.2447 NA PeJP NA NA +PJ067560 GCCCCQHH C31H47N13O10S4 889.2452 NA PeJP NA NA +PJ067561 CDDDEMY C34H47N7O17S2 889.247 NA PeJP NA NA +PJ067562 GCNDDDDH C31H43N11O18S 889.2509 NA PeJP NA NA +PJ067563 CDEMMMM C32H55N7O12S5 889.2513 NA PeJP NA NA +PJ067564 GCCCNNNY C32H47N11O13S3 889.2517 NA PeJP NA NA +PJ067565 GGGGGGGCCCY C32H47N11O13S3 889.2518 NA PeJP NA NA +PJ067566 SSCCCCER C29H51N11O13S4 889.2551 NA PeJP NA NA +PJ067567 CCCNDFW C37H47N9O11S3 889.2558 NA PeJP NA NA +PJ067568 GSCCNDEY C33H47N9O16S2 889.2583 NA PeJP NA NA +PJ067569 GSTCCCMW C34H51N9O11S4 889.2591 NA PeJP NA NA +PJ067570 GSSSSCCEM C30H51N9O16S3 889.2616 NA PeJP NA NA +PJ067571 GSCCQMMM C31H55N9O11S5 889.2625 NA PeJP NA NA +PJ067572 SSCCCNHH C31H47N13O12S3 889.263 NA PeJP NA NA +PJ067573 CDDEMMF C35H51N7O14S3 889.2657 NA PeJP NA NA +PJ067574 SPCCNDDH C32H47N11O15S2 889.2695 NA PeJP NA NA +PJ067575 CCEMMHH C33H51N11O10S4 889.2704 NA PeJP NA NA +PJ067576 SCCNDYW C37H47N9O13S2 889.2735 NA PeJP NA NA +PJ067577 GSCCCMMR C30H55N11O10S5 889.2737 NA PeJP NA NA +PJ067578 CCCMHFF C38H51N9O8S4 889.2744 NA PeJP NA NA +PJ067579 SSSCNDDY C33H47N9O18S 889.276 NA PeJP NA NA +PJ067580 SSSSCCMW C34H51N9O13S3 889.2769 NA PeJP NA NA +PJ067581 SSSSSSCDM C30H51N9O18S2 889.2794 NA PeJP NA NA +PJ067582 PCDDDYY C38H47N7O16S 889.28 NA PeJP NA NA +PJ067583 SSSCNMMM C31H55N9O13S4 889.2802 NA PeJP NA NA +PJ067584 GGSSSCMMM C31H55N9O13S4 889.2803 NA PeJP NA NA +PJ067585 GCCNNNEH C31H47N13O14S2 889.2807 NA PeJP NA NA +PJ067586 GGGGGGGCCEH C31H47N13O14S2 889.2808 NA PeJP NA NA +PJ067587 GCCCCKHH C32H51N13O9S4 889.2816 NA PeJP NA NA +PJ067588 SDDEMMY C35H51N7O16S2 889.2834 NA PeJP NA NA +PJ067589 PCDMMMY C36H55N7O11S4 889.2843 NA PeJP NA NA +PJ067590 CCDEHHF C36H47N11O12S2 889.2848 NA PeJP NA NA +PJ067591 ASCNDDEH C32H47N11O17S 889.2872 NA PeJP NA NA +PJ067592 GSNDDDMH C32H47N11O17S 889.2873 NA PeJP NA NA +PJ067593 SEMMMMM C33H59N7O11S5 889.2876 NA PeJP NA NA +PJ067594 CCCNERY C33H51N11O12S3 889.2881 NA PeJP NA NA +PJ067595 CNNDDFY C37H47N9O15S 889.2913 NA PeJP NA NA +PJ067596 SSTCCCMR C30H55N11O12S4 889.2915 NA PeJP NA NA +PJ067597 GCCQMYW C38H51N9O10S3 889.2921 NA PeJP NA NA +PJ067598 GGGPCCCFF C38H51N9O10S3 889.2922 NA PeJP NA NA +PJ067599 GPNDDDEE C33H47N9O20 889.2938 NA PeJP NA NA +PJ067600 GSSCNEMY C34H51N9O15S2 889.2946 NA PeJP NA NA +PJ067601 GSPPPCCDD C34H51N9O15S2 889.2947 NA PeJP NA NA +PJ067602 DDDDHHH C34H43N13O16 889.2951 NA PeJP NA NA +PJ067603 APCCCCKY C35H55N9O10S4 889.2955 NA PeJP NA NA +PJ067604 CCNNNHW C35H47N13O11S2 889.296 NA PeJP NA NA +PJ067605 GDDEEYY C38H47N7O18 889.2978 NA PeJP NA NA +PJ067606 GSSSSTCMM C31H55N9O15S3 889.298 NA PeJP NA NA +PJ067607 SSCNNNDH C31H47N13O16S 889.2985 NA PeJP NA NA +PJ067608 PCDDMFY C39H51N7O13S2 889.2987 NA PeJP NA NA +PJ067609 GSCCKMMM C32H59N9O10S5 889.2989 NA PeJP NA NA +PJ067610 GPCCCDHR C32H51N13O11S3 889.2994 NA PeJP NA NA +PJ067611 GEEMMMY C36H55N7O13S3 889.302 NA PeJP NA NA +PJ067612 SCNDEHW C36H47N11O14S 889.3025 NA PeJP NA NA +PJ067613 PCMMMMF C37H59N7O8S5 889.3029 NA PeJP NA NA +PJ067614 GCCCRYW C37H51N11O9S3 889.3034 NA PeJP NA NA +PJ067615 SSSNDDEH C32H47N11O19 889.305 NA PeJP NA NA +PJ067616 GSSCCDRY C33H51N11O14S2 889.3059 NA PeJP NA NA +PJ067617 CLMMMMM C34H63N7O8S6 889.3063 NA PeJP NA NA +PJ067618 CCCQMFR C34H55N11O9S4 889.3067 NA PeJP NA NA +PJ067619 GACCCMFR C34H55N11O9S4 889.3068 NA PeJP NA NA +PJ067620 PNDDDEW C37H47N9O17 889.309 NA PeJP NA NA +PJ067621 SSCNMYW C38H51N9O12S2 889.3099 NA PeJP NA NA +PJ067622 SSSSNDMY C34H51N9O17S 889.3124 NA PeJP NA NA +PJ067623 DDEYYW C42H47N7O15 889.313 NA PeJP NA NA +PJ067624 SNNMMMY C35H55N9O12S3 889.3133 NA PeJP NA NA +PJ067625 SSSSSSSMM C31H55N9O17S2 889.3157 NA PeJP NA NA +PJ067626 SSSSSTTCM C31H55N9O17S2 889.3158 NA PeJP NA NA +PJ067627 GNNNNNDE C31H47N13O18 889.3162 NA PeJP NA NA +PJ067628 GGGGGNNNDE C31H47N13O18 889.3163 NA PeJP NA NA +PJ067629 SPDDMYY C39H51N7O15S 889.3164 NA PeJP NA NA +PJ067630 SSTCCKMM C32H59N9O12S4 889.3166 NA PeJP NA NA +PJ067631 CNDDMHR C32H51N13O13S2 889.3171 NA PeJP NA NA +PJ067632 EMMMYW C40H55N7O10S3 889.3173 NA PeJP NA NA +PJ067633 GSCDHWW C40H47N11O11S 889.3178 NA PeJP NA NA +PJ067634 CCCCFRR C33H55N13O8S4 889.318 NA PeJP NA NA +PJ067635 PEEEEEE C35H51N7O20 889.3189 NA PeJP NA NA +PJ067636 STEEMMY C36H55N7O15S2 889.3198 NA PeJP NA NA +PJ067637 GSSSDDHW C36H47N11O16 889.3203 NA PeJP NA NA +PJ067638 SPMMMMY C37H59N7O10S4 889.3206 NA PeJP NA NA +PJ067639 AEMMMMF C37H59N7O10S4 889.3207 NA PeJP NA NA +PJ067640 GNDMMHW C37H51N11O11S2 889.3211 NA PeJP NA NA +PJ067641 GGGGGPPCCW C37H51N11O11S2 889.3212 NA PeJP NA NA +PJ067642 GSSNEEMH C33H51N11O16S 889.3236 NA PeJP NA NA +PJ067643 GGGGGPNDEM C33H51N11O16S 889.3237 NA PeJP NA NA +PJ067644 GPDDDWW C41H47N9O14 889.3243 NA PeJP NA NA +PJ067645 SCCQMRY C34H55N11O11S3 889.3245 NA PeJP NA NA +PJ067646 CNNEHHH C34H47N15O12S 889.325 NA PeJP NA NA +PJ067647 ACCNFFW C42H51N9O9S2 889.3251 NA PeJP NA NA +PJ067648 GCCQFFW C42H51N9O9S2 889.3252 NA PeJP NA NA +PJ067649 GSSSTCYW C38H51N9O14S 889.3276 NA PeJP NA NA +PJ067650 GSPPCDEW C38H51N9O14S 889.3277 NA PeJP NA NA +MJ097031 Cochinmicin I C46H47N7O12 889.32827 NA MeJP NA NA +PJ067651 GSCCNNHR C31H51N15O12S2 889.3283 NA PeJP NA NA +PJ067652 GGGSCCNHR C31H51N15O12S2 889.3284 NA PeJP NA NA +PJ067653 GCCKMYW C39H55N9O9S3 889.3285 NA PeJP NA NA +PJ067654 GSSSSSSEY C34H51N9O19 889.3301 NA PeJP NA NA +PJ067655 GSPNEEEE C34H51N9O19 889.3302 NA PeJP NA NA +PJ067656 GSSSQMMY C35H55N9O14S2 889.331 NA PeJP NA NA +PJ067657 NNNNNDW C35H47N13O15 889.3315 NA PeJP NA NA +PJ067658 DEMFYW C43H51N7O12S 889.3317 NA PeJP NA NA +PJ067659 CCQKMMF C36H59N9O9S4 889.3319 NA PeJP NA NA +PJ067660 GCCEHRW C36H51N13O10S2 889.3324 NA PeJP NA NA +PJ067661 GTEEEYY C39H51N7O17 889.3342 NA PeJP NA NA +PJ067662 GSSCDEHR C32H51N13O15S 889.3349 NA PeJP NA NA +PJ067663 GPEMMYY C40H55N7O12S2 889.335 NA PeJP NA NA +PJ067664 GEEMMFF C40H55N7O12S2 889.3351 NA PeJP NA NA +PJ067665 GNDDHFW C40H47N11O13 889.3355 NA PeJP NA NA +PJ067666 SCCCRRY C33H55N13O10S3 889.3357 NA PeJP NA NA +PJ067667 CQMHWW C41H51N11O8S2 889.3364 NA PeJP NA NA +PJ067668 SVEMMMY C37H59N7O12S3 889.3384 NA PeJP NA NA +PJ067669 SSNEMHW C37H51N11O13S 889.3389 NA PeJP NA NA +PJ067670 GMMMHHF C38H55N11O8S3 889.3398 NA PeJP NA NA +PJ067671 GCNHHHW C38H47N15O9S 889.3402 NA PeJP NA NA +PJ067672 GSPDDDER C33H51N11O18 889.3414 NA PeJP NA NA +PJ067673 GSSSCMRY C34H55N11O13S2 889.3423 NA PeJP NA NA +PJ067674 GSSNDHHH C34H47N15O14 889.3427 NA PeJP NA NA +PJ067675 SPPCDWW C42H51N9O11S 889.3429 NA PeJP NA NA +PJ067676 CCCKMFR C35H59N11O8S4 889.3431 NA PeJP NA NA +PJ067677 SSSSSSYW C38H51N9O16 889.3454 NA PeJP NA NA +PJ067678 STCCKYW C39H55N9O11S2 889.3463 NA PeJP NA NA +PJ067679 CCHRWW C40H51N13O7S2 889.3476 NA PeJP NA NA +PJ067680 SSSSTQMY C35H55N9O16S 889.3488 NA PeJP NA NA +PJ067681 TEEYYW C43H51N7O14 889.3494 NA PeJP NA NA +PJ067682 SCQKMMY C36H59N9O11S3 889.3496 NA PeJP NA NA +PJ067683 GGTCKMMY C36H59N9O11S3 889.3497 NA PeJP NA NA +PJ067684 SSCDHRW C36H51N13O12S 889.3501 NA PeJP NA NA +PJ067685 GGGGGGGGMHF C36H51N13O12S 889.3502 NA PeJP NA NA +PJ067686 PMMYYW C44H55N7O9S2 889.3503 NA PeJP NA NA +PJ067687 SSSSDDHR C32H51N13O17 889.3526 NA PeJP NA NA +PJ067688 GGGGGGDEER C32H51N13O17 889.3527 NA PeJP NA NA +PJ067689 GVEEMYY C40H55N7O14S 889.3528 NA PeJP NA NA +PJ067690 SNDMMHR C33H55N13O12S2 889.3535 NA PeJP NA NA +PJ067691 APMMMFY C41H59N7O9S3 889.3537 NA PeJP NA NA +PJ067692 GSSMHWW C41H51N11O10S 889.3541 NA PeJP NA NA +PJ067693 GGGPCQWW C41H51N11O10S 889.3542 NA PeJP NA NA +PJ067694 SPDDDRW C37H51N11O15 889.3566 NA PeJP NA NA +PJ067695 GGGQQEEW C37H51N11O15 889.3567 NA PeJP NA NA +PJ067696 ALMMMMY C38H63N7O9S4 889.357 NA PeJP NA NA +PJ067697 PPCCERW C38H55N11O10S2 889.3575 NA PeJP NA NA +PJ067698 SSSSTCRY C34H55N11O15S 889.36 NA PeJP NA NA +PJ067699 GSPEEWW C42H51N9O13 889.3607 NA PeJP NA NA +PJ067700 SCCKMRY C35H59N11O10S3 889.3609 NA PeJP NA NA +PJ067701 SNQMHHH C35H51N15O11S 889.3613 NA PeJP NA NA +PJ067702 GGSQMHHH C35H51N15O11S 889.3614 NA PeJP NA NA +PJ067703 APPCMWW C43H55N9O8S2 889.3615 NA PeJP NA NA +PJ067704 GSNNNNDR C31H51N15O16 889.3639 NA PeJP NA NA +PJ067705 APQEEMW C39H55N9O13S 889.364 NA PeJP NA NA +PJ067706 GAAPEEMW C39H55N9O13S 889.3641 NA PeJP NA NA +PJ067707 PDFYYW C47H51N7O11 889.3647 NA PeJP NA NA +PJ067708 PPMMMHF C40H59N9O8S3 889.3649 NA PeJP NA NA +PJ067709 PPCNHHW C40H51N13O9S 889.3654 NA PeJP NA NA +PJ067710 GSSSSTTTY C35H55N9O18 889.3665 NA PeJP NA NA +PJ067711 GGLQEEEE C35H55N9O18 889.3666 NA PeJP NA NA +PJ067712 GSSSKMMY C36H59N9O13S2 889.3674 NA PeJP NA NA +PJ067713 GNNDERW C36H51N13O14 889.3679 NA PeJP NA NA +PJ067714 VEMYYW C44H55N7O11S 889.3681 NA PeJP NA NA +PJ067715 CCKKMMF C37H63N9O8S4 889.3683 NA PeJP NA NA +PJ067716 ASCMHRW C37H55N13O9S2 889.3687 NA PeJP NA NA +PJ067717 GTCMHRW C37H55N13O9S2 889.3688 NA PeJP NA NA +PJ067718 GEHHHHH C37H47N17O10 889.3692 NA PeJP NA NA +PJ067719 SSLEEYY C40H55N7O16 889.3705 NA PeJP NA NA +PJ067720 TTLDDYY C40H55N7O16 889.3706 NA PeJP NA NA +PJ067721 SSSCNQKH C33H55N13O14S 889.3712 NA PeJP NA NA +PJ067722 PCDDERR C33H55N13O14S 889.3713 NA PeJP NA NA +PJ067723 SPVMMYY C41H59N7O11S2 889.3714 NA PeJP NA NA +PJ067724 SSSTHWW C41H51N11O12 889.3719 NA PeJP NA NA +PJ067725 GQMMMHR C34H59N13O9S3 889.3721 NA PeJP NA NA +PJ067726 SCNHHHR C34H51N17O10S 889.3726 NA PeJP NA NA +PJ067727 CKMHWW C42H55N11O7S2 889.3728 NA PeJP NA NA +PJ067728 TTLMMMY C38H63N7O11S3 889.3748 NA PeJP NA NA +PJ067729 GPDEMRW C38H55N11O12S 889.3753 NA PeJP NA NA +PJ067730 SPEWWW C46H51N9O10 889.3759 NA PeJP NA NA +PJ067731 AQEEEER C34H55N11O17 889.3778 NA PeJP NA NA +PJ067732 SPPVCCER C35H59N11O12S2 889.3786 NA PeJP NA NA +PJ067733 GSPPDMMR C35H59N11O12S2 889.3787 NA PeJP NA NA +PJ067734 PNDDHHR C35H51N15O13 889.3791 NA PeJP NA NA +PJ067735 AAPEMWW C43H55N9O10S 889.3793 NA PeJP NA NA +PJ067736 GLQEEEW C39H55N9O15 889.3818 NA PeJP NA NA +PJ067737 NNNNQMR C32H55N15O13S 889.3825 NA PeJP NA NA +PJ067738 PPTQMMW C40H59N9O10S2 889.3827 NA PeJP NA NA +PJ067739 NNDRWW C40H51N13O11 889.3831 NA PeJP NA NA +PJ067740 GGGGDRWW C40H51N13O11 889.3832 NA PeJP NA NA +PJ067741 PMFFYW C48H55N7O8S 889.3833 NA PeJP NA NA +PJ067742 GCMMHRR C33H59N15O8S3 889.3834 NA PeJP NA NA +PJ067743 HHHHHW C41H47N17O7 889.3845 NA PeJP NA NA +PJ067744 SSSSTKMY C36H59N9O15S 889.3852 NA PeJP NA NA +PJ067745 GPVEYYY C44H55N7O13 889.3858 NA PeJP NA NA +PJ067746 SCKKMMY C37H63N9O10S3 889.386 NA PeJP NA NA +PJ067747 GGGPPLMMM C37H63N9O10S3 889.3861 NA PeJP NA NA +PJ067748 SSSMHRW C37H55N13O11S 889.3865 NA PeJP NA NA +PJ067749 LMMFYW C45H59N7O8S2 889.3867 NA PeJP NA NA +PJ067750 SQHFWW C45H51N11O9 889.3871 NA PeJP NA NA +PJ067751 GQQWWW C45H51N11O9 889.3872 NA PeJP NA NA +PJ067752 GDEEERR C33H55N13O16 889.389 NA PeJP NA NA +PJ067753 ATLEMYY C41H59N7O13S 889.3892 NA PeJP NA NA +PJ067754 STQMMHR C34H59N13O11S2 889.3899 NA PeJP NA NA +PJ067755 ALMMMFF C42H63N7O8S3 889.3901 NA PeJP NA NA +PJ067756 PDMRWW C42H55N11O9S 889.3905 NA PeJP NA NA +PJ067757 LLEEEEE C37H59N7O18 889.3917 NA PeJP NA NA +PJ067758 AAEEERW C38H55N11O14 889.393 NA PeJP NA NA +PJ067759 GGGGAKEEW C38H55N11O14 889.3931 NA PeJP NA NA +PJ067760 CNNNNRR C31H55N17O12S 889.3937 NA PeJP NA NA +PJ067761 GGGGGGGGCRR C31H55N17O12S 889.3938 NA PeJP NA NA +PJ067762 PPTCMRW C39H59N11O9S2 889.3939 NA PeJP NA NA +PJ067763 GQQHHHF C39H51N15O10 889.3944 NA PeJP NA NA +PJ067764 PCLWWW C47H55N9O7S 889.3946 NA PeJP NA NA +PJ067765 PTQEEMR C35H59N11O14S 889.3964 NA PeJP NA NA +PJ067766 SSPVEWW C43H55N9O12 889.397 NA PeJP NA NA +PJ067767 LQEEWW C43H55N9O12 889.3971 NA PeJP NA NA +PJ067768 PPQMMMR C36H63N11O9S3 889.3973 NA PeJP NA NA +PJ067769 GCDHFRR C36H55N15O10S 889.3977 NA PeJP NA NA +PJ067770 GSPPCHHR C36H55N15O10S 889.3978 NA PeJP NA NA +PJ067771 PQHHWW C44H51N13O8 889.3984 NA PeJP NA NA +PJ067772 SNNDERR C32H55N15O15 889.4002 NA PeJP NA NA +PJ067773 GGSNDERR C32H55N15O15 889.4003 NA PeJP NA NA +PJ067774 APKEEMW C40H59N9O12S 889.4004 NA PeJP NA NA +PJ067775 PVYYYW C48H55N7O10 889.4011 NA PeJP NA NA +PJ067776 NMHFRW C41H55N13O8S 889.4018 NA PeJP NA NA +PJ067777 VQKEEEE C36H59N9O17 889.4029 NA PeJP NA NA +PJ067778 GPPTKEMM C37H63N9O12S2 889.4038 NA PeJP NA NA +7422 coeliac toxic peptide QYQPYPEQQQPFVQ 889.404 MH2+ Inhouse_peptide NA peptide +PJ067779 DEERRW C37H55N13O13 889.4043 NA PeJP NA NA +PJ067780 GPLMFYY C45H59N7O10S 889.4044 NA PeJP NA NA +PJ067781 GLEMFFF C45H59N7O10S 889.4045 NA PeJP NA NA +PJ067782 PCCKHFR C38H59N13O8S2 889.4051 NA PeJP NA NA +PJ067783 SVHHHHH C38H51N17O9 889.4056 NA PeJP NA NA +PJ067784 TTTLEYY C41H59N7O15 889.4069 NA PeJP NA NA +PJ067785 SPDEMRR C34H59N13O13S 889.4076 NA PeJP NA NA +PJ067786 GGGGVQEMR C34H59N13O13S 889.4077 NA PeJP NA NA +PJ067787 GLLMMYY C42H63N7O10S2 889.4078 NA PeJP NA NA +PJ067788 VDERWW C42H55N11O11 889.4083 NA PeJP NA NA +PJ067789 PPCMMRR C35H63N13O8S3 889.4085 NA PeJP NA NA +PJ067790 STTKMHW C39H59N11O11S 889.4116 NA PeJP NA NA +PJ067791 APTEMRW C39H59N11O11S 889.4117 NA PeJP NA NA +PJ067792 ALEWWW C47H55N9O9 889.4123 NA PeJP NA NA +PJ067793 TTTTTTQH C35H59N11O16 889.4141 NA PeJP NA NA +PJ067794 AKEEEER C35H59N11O16 889.4142 NA PeJP NA NA +MJ097032 Sperm activating peptide; Sperm activating peptide A C36H63N11O11S2 889.414993 NA MeJP NA NA +PJ067795 PVQEMMR C36H63N11O11S2 889.415 NA PeJP NA NA +PJ067796 GGGGGPVKMM C36H63N11O11S2 889.4151 NA PeJP NA NA +PJ067797 GSNDRRW C36H55N15O12 889.4155 NA PeJP NA NA +PJ067798 GPTLMWW C44H59N9O9S 889.4157 NA PeJP NA NA +PJ067799 PFFFFW C52H55N7O7 889.4163 NA PeJP NA NA +PJ067800 GLKEEEW C40H59N9O14 889.4182 NA PeJP NA NA +PJ067801 GNQEMRR C33H59N15O12S 889.4189 NA PeJP NA NA +PJ067802 PPTKMMW C41H63N9O9S2 889.419 NA PeJP NA NA +PJ067803 PVVQMMW C41H63N9O9S2 889.4191 NA PeJP NA NA +PJ067804 SQQRWW C41H55N13O10 889.4195 NA PeJP NA NA +PJ067805 LMFFFW C49H59N7O7S 889.4197 NA PeJP NA NA +PJ067806 ASSSPPTLM C37H63N9O14S 889.4215 NA PeJP NA NA +PJ067807 PKKEEEM C37H63N9O14S 889.4216 NA PeJP NA NA +PJ067808 APTLYYY C45H59N7O12 889.4222 NA PeJP NA NA +PJ067809 GPPVKMMM C38H67N9O9S3 889.4224 NA PeJP NA NA +PJ067810 AAQQMRW C38H59N13O10S 889.4229 NA PeJP NA NA +PJ067811 GQKWWW C46H55N11O8 889.4235 NA PeJP NA NA +PJ067812 GGAKWWW C46H55N11O8 889.4236 NA PeJP NA NA +PJ067813 ATEEERR C34H59N13O15 889.4254 NA PeJP NA NA +PJ067814 STLLMYY C42H63N7O12S 889.4256 NA PeJP NA NA +PJ067815 APEMMRR C35H63N13O10S2 889.4263 NA PeJP NA NA +PJ067816 GQQQHHR C35H55N17O11 889.4267 NA PeJP NA NA +PJ067817 GGGAAQHHR C35H55N17O11 889.4268 NA PeJP NA NA +PJ067818 GPPMFRW C43H59N11O8S 889.4269 NA PeJP NA NA +PJ067819 GTLEERW C39H59N11O13 889.4294 NA PeJP NA NA +PJ067820 GCNERRR C32H59N17O11S 889.4301 NA PeJP NA NA +PJ067821 GPLMMRW C40H63N11O8S2 889.4303 NA PeJP NA NA +PJ067822 GPTHHRW C40H55N15O9 889.4308 NA PeJP NA NA +PJ067823 PTKEEMR C36H63N11O13S 889.4328 NA PeJP NA NA +PJ067824 LKEEWW C44H59N9O11 889.4334 NA PeJP NA NA +PJ067825 GAAPLEFW C44H59N9O11 889.4335 NA PeJP NA NA +PJ067826 PPKMMMR C37H67N11O8S3 889.4337 NA PeJP NA NA +PJ067827 NQMRRW C37H59N15O9S 889.4341 NA PeJP NA NA +PJ067828 PKHHWW C45H55N13O7 889.4348 NA PeJP NA NA +PJ067829 SSQQERR C33H59N15O14 889.4366 NA PeJP NA NA +PJ067830 GGGGGGASSKR C33H59N15O14 889.4367 NA PeJP NA NA +PJ067831 SPLKEMW C41H63N9O11S 889.4368 NA PeJP NA NA +PJ067832 VLFYYW C49H59N7O9 889.4375 NA PeJP NA NA +PJ067833 GNNHHRR C34H55N19O10 889.438 NA PeJP NA NA +PJ067834 VKKEEEE C37H63N9O16 889.4393 NA PeJP NA NA +PJ067835 AAPLKEMM C38H67N9O11S2 889.4402 NA PeJP NA NA +PJ067836 ASNKERW C38H59N13O12 889.4406 NA PeJP NA NA +PJ067837 GSQKERW C38H59N13O12 889.4407 NA PeJP NA NA +PJ067838 GLLMFFY C46H63N7O9S 889.4408 NA PeJP NA NA +PJ067839 GLEEMRR C35H63N13O12S 889.444 NA PeJP NA NA +PJ067840 GGGGGGAAKKM C35H63N13O12S 889.4441 NA PeJP NA NA +PJ067841 TLERWW C43H59N11O10 889.4447 NA PeJP NA NA +PJ067842 CNRRRW C36H59N17O8S 889.4454 NA PeJP NA NA +PJ067843 SSNDRRR C32H59N17O13 889.4479 NA PeJP NA NA +PJ067844 AVVEMRW C40H63N11O10S 889.448 NA PeJP NA NA +PJ067845 GVLEMRW C40H63N11O10S 889.4481 NA PeJP NA NA +PJ067846 SLLWWW C48H59N9O8 889.4487 NA PeJP NA NA +PJ067847 SLKEEER C36H63N11O15 889.4505 NA PeJP NA NA +PJ067848 TLDKEER C36H63N11O15 889.4506 NA PeJP NA NA +PJ067849 PVKEMMR C37H67N11O10S2 889.4514 NA PeJP NA NA +PJ067850 GSTQRRW C37H59N15O11 889.4519 NA PeJP NA NA +PJ067851 AALLMWW C45H63N9O8S 889.4521 NA PeJP NA NA +PJ067852 SVLKEEW C41H63N9O13 889.4546 NA PeJP NA NA +PJ067853 ATQQMRR C34H63N15O11S 889.4552 NA PeJP NA NA +PJ067854 GNKEMRR C34H63N15O11S 889.4553 NA PeJP NA NA +PJ067855 PVVKMMW C42H67N9O8S2 889.4554 NA PeJP NA NA +PJ067856 SQKRWW C42H59N13O9 889.4559 NA PeJP NA NA +PJ067857 LLQKEEM C38H67N9O13S 889.4579 NA PeJP NA NA +PJ067858 GALLKEEM C38H67N9O13S 889.458 NA PeJP NA NA +PJ067859 GVLLYYY C46H63N7O11 889.4586 NA PeJP NA NA +PJ067860 LEMRRW C39H63N13O9S 889.4593 NA PeJP NA NA +PJ067861 GKKWWW C47H59N11O7 889.4599 NA PeJP NA NA +PJ067862 STLEERR C35H63N13O14 889.4618 NA PeJP NA NA +PJ067863 SPLMMRR C36H67N13O9S2 889.4627 NA PeJP NA NA +PJ067864 GVEHHRR C36H59N17O10 889.4631 NA PeJP NA NA +PJ067865 VLMRWW C44H63N11O7S 889.4633 NA PeJP NA NA +PJ067866 SSLLERW C40H63N11O12 889.4658 NA PeJP NA NA +PJ067867 GSQMRRR C33H63N17O10S 889.4665 NA PeJP NA NA +PJ067868 AALHHRW C41H59N15O8 889.4671 NA PeJP NA NA +PJ067869 GVVHHRW C41H59N15O8 889.4672 NA PeJP NA NA +PJ067870 VVKEEMR C37H67N11O12S 889.4692 NA PeJP NA NA +PJ067871 ATTLLWW C45H63N9O10 889.4698 NA PeJP NA NA +PJ067872 NKMRRW C38H63N15O8S 889.4705 NA PeJP NA NA +PJ067873 SSQKERR C34H63N15O13 889.473 NA PeJP NA NA +PJ067874 ALLKEMW C42H67N9O10S 889.4732 NA PeJP NA NA +PJ067875 PCCKKRR C35H67N15O8S2 889.4739 NA PeJP NA NA +PJ067876 EHHRRR C35H59N19O9 889.4744 NA PeJP NA NA +PJ067877 GTTLLKEE C38H67N9O15 889.4757 NA PeJP NA NA +PJ067878 GPTLLKMM C39H71N9O10S2 889.4766 NA PeJP NA NA +PJ067879 GSKKERW C39H63N13O11 889.477 NA PeJP NA NA +PJ067880 GGGGPVKRY C39H63N13O11 889.4771 NA PeJP NA NA +PJ067881 GSCRRRR C32H63N19O9S 889.4777 NA PeJP NA NA +PJ067882 VHHRRW C40H59N17O7 889.4784 NA PeJP NA NA +PJ067883 SVLEMRR C36H67N13O11S 889.4804 NA PeJP NA NA +PJ067884 DKKKWW C44H63N11O9 889.4811 NA PeJP NA NA +PJ067885 SSTQRRR C33H63N17O12 889.4842 NA PeJP NA NA +PJ067886 GGSTTRRR C33H63N17O12 889.4843 NA PeJP NA NA +PJ067887 ATLLMRW C41H67N11O9S 889.4844 NA PeJP NA NA +PJ067888 GTTTLLER C37H67N11O14 889.4869 NA PeJP NA NA +PJ067889 VLLQMMR C38H71N11O9S2 889.4878 NA PeJP NA NA +PJ067890 GSTKRRW C38H63N15O10 889.4883 NA PeJP NA NA +PJ067891 TTLLKEW C42H67N9O12 889.4909 NA PeJP NA NA +PJ067892 GSTTLLLW C42H67N9O12 889.491 NA PeJP NA NA +PJ067893 ATQKMRR C35H67N15O10S 889.4916 NA PeJP NA NA +PJ067894 GDKKMRR C35H67N15O10S 889.4917 NA PeJP NA NA +PJ067895 SKKRWW C43H63N13O8 889.4923 NA PeJP NA NA +PJ067896 LLKKEEM C39H71N9O12S 889.4943 NA PeJP NA NA +PJ067897 AAKKMRW C40H67N13O8S 889.4957 NA PeJP NA NA +PJ067898 SDKKKER C36H67N13O13 889.4982 NA PeJP NA NA +PJ067899 ALLMMRR C37H71N13O8S2 889.499 NA PeJP NA NA +PJ067900 QQFRRR C37H63N17O9 889.4995 NA PeJP NA NA +PJ067901 TTTLLRW C41H67N11O11 889.5022 NA PeJP NA NA +PJ067902 GSKMRRR C34H67N17O9S 889.5029 NA PeJP NA NA +MJ097033 Tylosin; 20-Alcohol, 2C,3C-di-O-de-Me C44H75NO17 889.503499 NA MeJP NA NA +PJ067903 KHFFRR C42H63N15O7 889.5035 NA PeJP NA NA +PJ067904 TLLKEMR C38H71N11O11S 889.5056 NA PeJP NA NA +PJ067905 APLLKYW C46H67N9O9 889.5062 NA PeJP NA NA +PJ067906 SSKKERR C35H67N15O12 889.5094 NA PeJP NA NA +PJ067907 SLLLKMW C43H71N9O9S 889.5096 NA PeJP NA NA +PJ067908 SSTLLLKE C39H71N9O14 889.5121 NA PeJP NA NA +PJ067909 AALLLKMM C40H75N9O9S2 889.513 NA PeJP NA NA +PJ067910 ATTKKRW C40H67N13O10 889.5134 NA PeJP NA NA +PJ067911 TTLLMRR C37H71N13O10S 889.5168 NA PeJP NA NA +PJ067912 GVLLFRW C45H67N11O8 889.5175 NA PeJP NA NA +MJ097034 Heinsiagenin A; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] C48H75NO14 889.518756 NA MeJP NA NA +PJ067913 SSTKRRR C34H67N17O11 889.5206 NA PeJP NA NA +PJ067914 GLKKKMW C42H71N11O8S 889.5208 NA PeJP NA NA +PJ067915 SSTTLLLR C38H71N11O13 889.5233 NA PeJP NA NA +2566 regulating cell-permeability peptide NYKKPKL 889.5239 antibacterial Inhouse_peptide NA peptide +PJ067916 VLLKMMR C39H75N11O8S2 889.5242 NA PeJP NA NA +PJ067917 GVQKFRR C39H67N15O9 889.5247 NA PeJP NA NA +PJ067918 PLLKKEY C43H71N9O11 889.5273 NA PeJP NA NA +PJ067919 GGAALLLLY C43H71N9O11 889.5274 NA PeJP NA NA +PJ067920 ATKKMRR C36H71N15O9S 889.528 NA PeJP NA NA +PJ067921 LLFRRW C44H67N13O7 889.5287 NA PeJP NA NA +PJ067922 ATTLLLKM C40H75N9O11S 889.5307 NA PeJP NA NA +PJ067923 TTKKKER C37H71N13O12 889.5345 NA PeJP NA NA +PJ067924 GSTTLKKR C37H71N13O12 889.5346 NA PeJP NA NA +PJ067925 QKFRRR C38H67N17O8 889.5359 NA PeJP NA NA +PJ067926 STLKKKW C42H71N11O10 889.5386 NA PeJP NA NA +PJ067927 VKKKKEM C39H75N11O10S 889.5419 NA PeJP NA NA +PJ067928 LDKKKKM C39H75N11O10S 889.542 NA PeJP NA NA +PJ067929 ALLLKFW C47H71N9O8 889.5426 NA PeJP NA NA +PJ067930 TTTKKRR C36H71N15O11 889.5458 NA PeJP NA NA +PJ067931 TTTTLLLK C40H75N9O13 889.5485 NA PeJP NA NA +PJ067932 GLLLRRY C41H71N13O9 889.5498 NA PeJP NA NA +PJ067933 SLKKKMR C38H75N13O9S 889.5532 NA PeJP NA NA +PJ067934 SSSLLKKK C39H75N11O12 889.5597 NA PeJP NA NA +PJ067935 GVKKFRR C40H71N15O8 889.5611 NA PeJP NA NA +PJ067936 LLLLQKY C44H75N9O10 889.5637 NA PeJP NA NA +PJ067937 GSSKKKKK C38H75N13O11 889.5709 NA PeJP NA NA +PJ067938 KKFRRR C39H71N17O7 889.5723 NA PeJP NA NA +PJ067939 VVLLKRY C43H75N11O9 889.575 NA PeJP NA NA +EUR1028 PC 40:8 [M-H+acetate]- C48H80NO8P 889.583257 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1028 PC 40:8 [M-H+acetate]- C48H80NO8P 889.583257 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1028 PC 40:8 [M-H+acetate]- C48H80NO8P 889.583257 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1028 PC 40:8 [M-H+acetate]- C48H80NO8P 889.583257 masses lipides attendues Inhousejuil11 NA NA +PJ067940 ALKKKFR C42H75N13O8 889.5862 NA PeJP NA NA +PJ067941 CKKKKKK C39H79N13O8S 889.5896 NA PeJP NA NA +PJ067942 LLLLKKY C45H79N9O9 889.6001 NA PeJP NA NA +PJ067943 VLKKKKF C44H79N11O8 889.6113 NA PeJP NA NA +HMDB12318 3-O-Sulfogalactosylceramide (d18:1/24:1(15Z)) C48H91NO11S 889.631287 NA HMDB2010 NA NA +HMDB04834 Galabiosylceramide (d18:1/18:0) C48H91NO13 889.649048 NA HMDB2010 NA NA +HMDB11591 Lactosylceramide (d18:1/18:0) C48H91NO13 889.649048 NA HMDB2010 NA NA +HMDB04834 Galabiosylceramide (d18:1/18:0) C48H91NO13 889.64905 http://www.hmdb.ca/metabolites/HMDB04834 HMDB NA NA +HMDB04869 Lactosylceramide (d18:1/18:0) C48H91NO13 889.64905 http://www.hmdb.ca/metabolites/HMDB04869 HMDB NA NA +HMDB04834 Galabiosylceramide (d18:1/18:0) C48H91NO13 889.64905 HMDB04834 PFEM_hmdb_metabocards_official NA NA +HMDB04869 Lactosylceramide (d18:1/18:0) C48H91NO13 889.64905 HMDB04869 PFEM_hmdb_metabocards_official NA NA +HMDB08520 PC(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)) C52H92NO8P 889.656067 NA HMDB2010 NA NA +HMDB08551 PC(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C52H92NO8P 889.656067 NA HMDB2010 NA NA +HMDB08581 PC(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C52H92NO8P 889.656067 NA HMDB2010 NA NA +HMDB08582 PC(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C52H92NO8P 889.656067 NA HMDB2010 NA NA +HMDB08613 PC(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) C52H92NO8P 889.656067 NA HMDB2010 NA NA +HMDB08645 PC(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)) C52H92NO8P 889.656067 NA HMDB2010 NA NA +HMDB08677 PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)) C52H92NO8P 889.656067 NA HMDB2010 NA NA +HMDB08710 PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)) C52H92NO8P 889.656067 NA HMDB2010 NA NA +HMDB08742 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0) C52H92NO8P 889.656067 NA HMDB2010 NA NA +HMDB08807 PC(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C52H92NO8P 889.656067 NA HMDB2010 NA NA +7421 coeliac toxic peptide QYQPYPEQQEPFVQ 889.896 MH2+ Inhouse_peptide NA peptide +3466 angiogenin fragment:108-122 ENGLPVHLDQSIFRR 889.96145 MH2+ Inhouse_peptide NA peptide +MJ097035 ?-(Dimethylamino)-3,5-diiodo-N-[5-[[3-(3-iodo-4-methoxyphenyl)-2-(methylamino)-1-oxopropyl]amino]pentyl]-4-methoxybenzenepropanamide; N29-Me C29H41I3N4O4 890.026186 NA MeJP NA NA +PJ067944 CCCCDDDD C28H42N8O17S4 890.1551 NA PeJP NA NA +PJ067945 CCCCCNNE C28H46N10O13S5 890.185 NA PeJP NA NA +PJ067946 SCCCDDDM C29H46N8O16S4 890.1915 NA PeJP NA NA +PJ067947 PCCCCCEM C30H50N8O11S6 890.1924 NA PeJP NA NA +PJ067948 GCCCCCNW C32H46N10O10S5 890.2002 NA PeJP NA NA +PJ067949 GSSCCCCND C28H46N10O15S4 890.2027 NA PeJP NA NA +MJ097036 3,3',4',5,7-Pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan-4-acetic acid, 3C,3'C-Dideoxy C47H38O18 890.205814 NA MeJP NA NA +PJ067950 GCCCDEMM C30H50N8O13S5 890.2101 NA PeJP NA NA +PJ067951 SCCCCNQM C29H50N10O12S5 890.2214 NA PeJP NA NA +PJ067952 GCCCDDEF C33H46N8O15S3 890.2245 NA PeJP NA NA +PJ067953 CCCDMMW C34H50N8O10S5 890.2254 NA PeJP NA NA +PJ067954 SSCCDDMM C30H50N8O15S4 890.2279 NA PeJP NA NA +PJ067955 PTCCCCMM C31H54N8O10S6 890.2288 NA PeJP NA NA +PJ067956 GCCCCEHH C31H46N12O11S4 890.2292 NA PeJP NA NA +PJ067957 SCCCCCNR C28H50N12O11S5 890.2326 NA PeJP NA NA +PJ067958 GCDDDDDH C31H42N10O19S 890.2349 NA PeJP NA NA +PJ067959 GCCCNNDY C32H46N10O14S3 890.2357 NA PeJP NA NA +PJ067960 GGGCCCNDY C32H46N10O14S3 890.2358 NA PeJP NA NA +PJ067961 GSSSCCCNM C29H50N10O14S4 890.2391 NA PeJP NA NA +PJ067962 CCCDDFW C37H46N8O12S3 890.2398 NA PeJP NA NA +PJ067963 GSCCDDEY C33H46N8O17S2 890.2423 NA PeJP NA NA +PJ067964 GPCCCDMY C34H50N8O12S4 890.2431 NA PeJP NA NA +PJ067965 CCCCHHW C35H46N12O8S4 890.2445 NA PeJP NA NA +PJ067966 GSCCEMMM C31H54N8O12S5 890.2465 NA PeJP NA NA +PJ067967 SSCCCDHH C31H46N12O13S3 890.247 NA PeJP NA NA +PJ067968 SPCCDDDH C32H46N10O16S2 890.2535 NA PeJP NA NA +PJ067969 GCCCNNMF C33H50N10O11S4 890.2544 NA PeJP NA NA +PJ067970 SSSSSCCCQ C29H50N10O16S3 890.2569 NA PeJP NA NA +PJ067971 SCCDDYW C37H46N8O14S2 890.2575 NA PeJP NA NA +PJ067972 SCCCCNKM C30H54N10O11S5 890.2577 NA PeJP NA NA +PJ067973 GGSCCCCKM C30H54N10O11S5 890.2578 NA PeJP NA NA +PJ067974 SSSCDDDY C33H46N8O19S 890.26 NA PeJP NA NA +PJ067975 CNDDMMY C34H50N8O14S3 890.2609 NA PeJP NA NA +PJ067976 SCCMMMW C35H54N8O9S5 890.2618 NA PeJP NA NA +PJ067977 SSSCDMMM C31H54N8O14S4 890.2643 NA PeJP NA NA +PJ067978 GCCNNDEH C31H46N12O15S2 890.2647 NA PeJP NA NA +PJ067979 GGGCCNDEH C31H46N12O15S2 890.2648 NA PeJP NA NA +PJ067980 CNMMMMM C32H58N8O9S6 890.2651 NA PeJP NA NA +PJ067981 GTCCCMHH C32H50N12O10S4 890.2656 NA PeJP NA NA +PJ067982 GSDDDDMH C32H46N10O18S 890.2713 NA PeJP NA NA +PJ067983 CCCDERY C33H50N10O13S3 890.2721 NA PeJP NA NA +PJ067984 GSSSSSSSCC C29H50N10O18S2 890.2746 NA PeJP NA NA +PJ067985 CNDDDFY C37H46N8O16S 890.2753 NA PeJP NA NA +PJ067986 GSSTCCCCK C30H54N10O13S4 890.2755 NA PeJP NA NA +PJ067987 GCCEMYW C38H50N8O11S3 890.2762 NA PeJP NA NA +PJ067988 GPDDDDEE C33H46N8O21 890.2778 NA PeJP NA NA +PJ067989 GSSCDEMY C34H50N8O16S2 890.2787 NA PeJP NA NA +PJ067990 GSPCCMMY C35H54N8O11S4 890.2795 NA PeJP NA NA +PJ067991 CCNNDHW C35H46N12O12S2 890.28 NA PeJP NA NA +C11724 Cycloguanil pamoate C12H16N2O3 890.2822 NA KEGG NA NA +PJ067992 SSCNNDDH C31H46N12O17S 890.2825 NA PeJP NA NA +PJ067993 GSTCMMMM C32H58N8O11S5 890.2829 NA PeJP NA NA +PJ067994 SSSCCMHH C32H50N12O12S3 890.2834 NA PeJP NA NA +PJ067995 SCDDEHW C36H46N10O15S 890.2865 NA PeJP NA NA +PJ067996 PCCDMHW C37H50N10O10S3 890.2874 NA PeJP NA NA +PJ067997 SSSDDDEH C32H46N10O20 890.289 NA PeJP NA NA +PJ067998 SSSCCNQY C33H50N10O15S2 890.2899 NA PeJP NA NA +PJ067999 CCCEMFR C34H54N10O10S4 890.2908 NA PeJP NA NA +PJ068000 CCMYWW C42H50N8O8S3 890.2914 NA PeJP NA NA +PJ068001 PDDDDEW C37H46N8O18 890.293 NA PeJP NA NA +PJ068002 SSSSSCCCK C30H54N10O15S3 890.2933 NA PeJP NA NA +PJ068003 SSCDMYW C38H50N8O13S2 890.2939 NA PeJP NA NA +PJ068004 TCCCCCKK C31H58N10O10S5 890.2941 NA PeJP NA NA +PJ068005 ACCMMFW C39H54N8O8S4 890.2948 NA PeJP NA NA +PJ068006 SSSSDDMY C34H50N8O18S 890.2964 NA PeJP NA NA +PJ068007 SNDMMMY C35H54N8O13S3 890.2973 NA PeJP NA NA +PJ068008 CCNMHHF C36H50N12O9S3 890.2986 NA PeJP NA NA +PJ068009 GNNNNDDE C31H46N12O19 890.3003 NA PeJP NA NA +PJ068010 SSSSMMMM C32H58N8O13S4 890.3006 NA PeJP NA NA +PJ068011 CDDDMHR C32H50N12O14S2 890.3011 NA PeJP NA NA +PJ068012 NDDDEHF C36H46N10O17 890.3043 NA PeJP NA NA +PJ068013 CCNNQFY C37H50N10O12S2 890.3051 NA PeJP NA NA +PJ068014 GDDMMHW C37H50N10O12S2 890.3052 NA PeJP NA NA +PJ068015 GSSSSSCNY C33H50N10O17S 890.3076 NA PeJP NA NA +PJ068016 GSSDEEMH C33H50N10O17S 890.3077 NA PeJP NA NA +PJ068017 SCCEMRY C34H54N10O12S3 890.3085 NA PeJP NA NA +PJ068018 CNDEHHH C34H46N14O13S 890.309 NA PeJP NA NA +PJ068019 GPCCYYW C42H50N8O10S2 890.3092 NA PeJP NA NA +PJ068020 GNDEMYY C38H50N8O15S 890.3117 NA PeJP NA NA +PJ068021 GSCCNDHR C31H50N14O13S2 890.3124 NA PeJP NA NA +PJ068022 GTCMMYW C39H54N8O10S3 890.3125 NA PeJP NA NA +PJ068023 GSPDEEEE C34H50N8O20 890.3142 NA PeJP NA NA +PJ068024 GSSSEMMY C35H54N8O15S2 890.315 NA PeJP NA NA +PJ068025 GPPDDEMM C35H54N8O15S2 890.3151 NA PeJP NA NA +PJ068026 NNNNDDW C35H46N12O16 890.3155 NA PeJP NA NA +PJ068027 GQMMMMY C36H58N8O10S4 890.3159 NA PeJP NA NA +PJ068028 SCNNMHW C36H50N12O11S2 890.3164 NA PeJP NA NA +PJ068029 GPCNDDDR C32H50N12O16S 890.3189 NA PeJP NA NA +PJ068030 GDDDHFW C40H46N10O14 890.3195 NA PeJP NA NA +PJ068031 NNNMMMH C33H54N12O11S3 890.3197 NA PeJP NA NA +PJ068032 GGNNMMMH C33H54N12O11S3 890.3198 NA PeJP NA NA +PJ068033 CEMHWW C41H50N10O9S2 890.3204 NA PeJP NA NA +PJ068034 SSDEMHW C37H50N10O14S 890.3229 NA PeJP NA NA +PJ068035 SPCMMHW C38H54N10O9S3 890.3238 NA PeJP NA NA +PJ068036 GCDHHHW C38H46N14O10S 890.3242 NA PeJP NA NA +PJ068037 CCFFWW C46H50N8O7S2 890.3244 NA PeJP NA NA +PJ068038 SSSSEEEH C33H50N10O19 890.3254 NA PeJP NA NA +PJ068039 SSSCCNKY C34H54N10O14S2 890.3263 NA PeJP NA NA +PJ068040 GSSDDHHH C34H46N14O15 890.3268 NA PeJP NA NA +PJ068041 NDMYYW C42H50N8O12S 890.3269 NA PeJP NA NA +PJ068042 GCMMMRY C35H58N10O9S4 890.3271 NA PeJP NA NA +PJ068043 GCCCCKKF C35H58N10O9S4 890.3272 NA PeJP NA NA +PJ068044 GPTCCHHH C35H50N14O10S2 890.3276 NA PeJP NA NA +PJ068045 SPDEEEW C38H50N8O17 890.3294 NA PeJP NA NA +PJ068046 GNNNNNNM C31H50N14O15S 890.3301 NA PeJP NA NA +PJ068047 GGGGGGGGGGGNM C31H50N14O15S 890.3302 NA PeJP NA NA +PJ068048 SSSMMYW C39H54N8O12S2 890.3303 NA PeJP NA NA +PJ068049 CCNQMHR C32H54N14O10S3 890.331 NA PeJP NA NA +PJ068050 SSSSTEMY C35H54N8O17S 890.3328 NA PeJP NA NA +PJ068051 STQMMMY C36H58N8O12S3 890.3337 NA PeJP NA NA +PJ068052 GSSSCQHW C36H50N12O13S 890.3341 NA PeJP NA NA +PJ068053 GGGGGSPCNW C36H50N12O13S 890.3342 NA PeJP NA NA +PJ068054 NNDDEER C32H50N12O18 890.3366 NA PeJP NA NA +PJ068055 GGNDDEER C32H50N12O18 890.3367 NA PeJP NA NA +PJ068056 SDDMMHR C33H54N12O13S2 890.3375 NA PeJP NA NA +PJ068057 GPCNEWW C41H50N10O11S 890.3382 NA PeJP NA NA +MJ097037 Urdamycin A; 5-(Methylthio) C44H58O17S 890.339471 NA MeJP NA NA +PJ068058 GSSSNNYY C37H50N10O16 890.3406 NA PeJP NA NA +PJ068059 GNQEEEW C37H50N10O16 890.3407 NA PeJP NA NA +PJ068060 GTEMMHW C38H54N10O11S2 890.3415 NA PeJP NA NA +PJ068061 GGGGPPPCCF C38H54N10O11S2 890.3416 NA PeJP NA NA +PJ068062 ACYYWW C46H50N8O9S 890.3422 NA PeJP NA NA +PJ068063 PDDEEMR C34H54N10O16S 890.344 NA PeJP NA NA +PJ068064 GGGGGPTEEM C34H54N10O16S 890.3441 NA PeJP NA NA +PJ068065 GSSEYYW C42H50N8O14 890.3447 NA PeJP NA NA +PJ068066 STCMMRY C35H58N10O11S3 890.3449 NA PeJP NA NA +PJ068067 SNEMHHH C35H50N14O12S 890.3454 NA PeJP NA NA +PJ068068 NMMFYW C43H54N8O9S2 890.3455 NA PeJP NA NA +PJ068069 GGMMFYW C43H54N8O9S2 890.3456 NA PeJP NA NA +PJ068070 GSNNNDDR C31H50N14O17 890.3479 NA PeJP NA NA +PJ068071 GTQEMYY C39H54N8O14S 890.348 NA PeJP NA NA +PJ068072 APEEEMW C39H54N8O14S 890.3481 NA PeJP NA NA +PJ068073 GYYYYY C47H50N6O12 890.3487 NA PeJP NA NA +PJ068074 GGGSSCMHR C32H54N14O12S2 890.3488 NA PeJP NA NA +PJ068075 PCCKMFY C40H58N8O9S3 890.3489 NA PeJP NA NA +PJ068076 GCNQHFW C40H50N12O10S 890.3494 NA PeJP NA NA +PJ068077 VQEEEEE C35H54N8O19 890.3506 NA PeJP NA NA +PJ068078 GSTTTMMY C36H58N8O14S2 890.3514 NA PeJP NA NA +PJ068079 GNDDERW C36H50N12O15 890.3519 NA PeJP NA NA +PJ068080 GKMMMMY C37H62N8O9S4 890.3523 NA PeJP NA NA +PJ068081 SCCQKHW C37H54N12O10S2 890.3528 NA PeJP NA NA +PJ068082 PCNWWW C45H50N10O8S 890.3534 NA PeJP NA NA +PJ068083 NNQQQEM C33H54N12O15S 890.3552 NA PeJP NA NA +PJ068084 GSPNDDMR C33H54N12O15S 890.3553 NA PeJP NA NA +PJ068085 NQEEWW C41H50N10O13 890.3559 NA PeJP NA NA +PJ068086 GEMMMHR C34H58N12O10S3 890.3561 NA PeJP NA NA +PJ068087 GGAPPCCMR C34H58N12O10S3 890.3562 NA PeJP NA NA +PJ068088 SCDHHHR C34H50N16O11S 890.3566 NA PeJP NA NA +PJ068089 TMMHWW C42H54N10O8S2 890.3568 NA PeJP NA NA +MJ097038 Dysoxylumin A; 16-Deacyl, 16-(2-acetoxy-3-methylbutanoyl) C44H58O19 890.357229 NA MeJP NA NA +PJ068090 STTEMHW C38H54N10O13S 890.3593 NA PeJP NA NA +PJ068091 SSYYWW C46H50N8O11 890.3599 NA PeJP NA NA +PJ068092 GVMMMHW C39H58N10O8S3 890.3602 NA PeJP NA NA +PJ068093 GSMHHHW C39H50N14O9S 890.3606 NA PeJP NA NA +PJ068094 AEEEEER C34H54N10O18 890.3618 NA PeJP NA NA +PJ068095 SKEEMMH C35H58N10O13S2 890.3627 NA PeJP NA NA +PJ068096 PDDDHHR C35H50N14O14 890.3631 NA PeJP NA NA +PJ068097 GGGGGSPEHH C35H50N14O14 890.3632 NA PeJP NA NA +PJ068098 TQMYYW C43H54N8O11S 890.3633 NA PeJP NA NA +PJ068099 AQMMHHH C36H54N14O9S2 890.364 NA PeJP NA NA +PJ068100 GLEEEEW C39H54N8O16 890.3658 NA PeJP NA NA +2 Sarcoplasmic GLSDGEWQ 890.366 celiac toxic Inhouse_peptide NA peptide +PJ068101 SSSSCQHR C32H54N14O14S 890.3665 NA PeJP NA NA +PJ068102 PPTEMMW C40H58N8O11S2 890.3667 NA PeJP NA NA +PJ068103 GSNNQWW C40H50N12O12 890.3671 NA PeJP NA NA +PJ068104 NDDRWW C40H50N12O12 890.3672 NA PeJP NA NA +PJ068105 GPPCCCRR C33H58N14O9S3 890.3674 NA PeJP NA NA +PJ068106 SSTTTTMY C36H58N8O16S 890.3692 NA PeJP NA NA +PJ068107 STKMMMY C37H62N8O11S3 890.37 NA PeJP NA NA +PJ068108 GPPVEMMM C37H62N8O11S3 890.3701 NA PeJP NA NA +PJ068109 SPCNERW C37H54N12O12S 890.3705 NA PeJP NA NA +PJ068110 GGGGGGGGVMW C37H54N12O12S 890.3706 NA PeJP NA NA +PJ068111 GQEWWW C45H50N10O10 890.3712 NA PeJP NA NA +PJ068112 MMMHRW C38H58N12O7S3 890.3714 NA PeJP NA NA +PJ068113 SNQEEER C33H54N12O17 890.373 NA PeJP NA NA +PJ068114 GGGGGGGSKEE C33H54N12O17 890.3731 NA PeJP NA NA +PJ068115 STEMMHR C34H58N12O12S2 890.3739 NA PeJP NA NA +PJ068116 NNNQQHH C34H50N16O13 890.3744 NA PeJP NA NA +PJ068117 GSPQMWW C42H54N10O10S 890.3745 NA PeJP NA NA +PJ068118 GGGPTMWW C42H54N10O10S 890.3746 NA PeJP NA NA +PJ068119 ACMHHHR C35H54N16O8S2 890.3752 NA PeJP NA NA +PJ068120 ATQQEEW C38H54N10O15 890.377 NA PeJP NA NA +PJ068121 GNKEEEW C38H54N10O15 890.3771 NA PeJP NA NA +PJ068122 CNNNDRR C31H54N16O13S 890.3777 NA PeJP NA NA +PJ068123 GGGGCNDRR C31H54N16O13S 890.3778 NA PeJP NA NA +PJ068124 SSLMMHW C39H58N10O10S2 890.3779 NA PeJP NA NA +PJ068125 SSTHHHW C39H50N14O11 890.3784 NA PeJP NA NA +PJ068126 NMFFFW C47H54N8O8S 890.3786 NA PeJP NA NA +PJ068127 PTEEEMR C35H58N10O15S 890.3804 NA PeJP NA NA +PJ068128 ASTTYYW C43H54N8O13 890.381 NA PeJP NA NA +PJ068129 LEEEWW C43H54N8O13 890.3811 NA PeJP NA NA +PJ068130 PPEMMMR C36H62N10O10S3 890.3813 NA PeJP NA NA +PJ068131 ACNNQRW C36H54N14O11S 890.3817 NA PeJP NA NA +PJ068132 GNNNMRW C36H54N14O11S 890.3818 NA PeJP NA NA +PJ068133 PCCKFFF C44H58N8O8S2 890.3819 NA PeJP NA NA +PJ068134 PEHHWW C44H50N12O9 890.3824 NA PeJP NA NA +PJ068135 SSNNNNNK C32H54N14O16 890.3842 NA PeJP NA NA +PJ068136 SNDDERR C32H54N14O16 890.3843 NA PeJP NA NA +PJ068137 SPLEEMW C40H58N8O13S 890.3844 NA PeJP NA NA +PJ068138 GPPVDEMF C40H58N8O13S 890.3845 NA PeJP NA NA +PJ068139 PCNDMRR C33H58N14O11S2 890.3851 NA PeJP NA NA +PJ068140 GGGGGPCCKR C33H58N14O11S2 890.3852 NA PeJP NA NA +PJ068141 PPVMMMW C41H62N8O8S3 890.3853 NA PeJP NA NA +PJ068142 GSPCRWW C41H54N12O9S 890.3858 NA PeJP NA NA +PJ068143 QWWWW C49H50N10O7 890.3864 NA PeJP NA NA +PJ068144 VKEEEEE C36H58N8O18 890.3869 NA PeJP NA NA +PJ068145 AATLEEEE C36H58N8O18 890.387 NA PeJP NA NA +PJ068146 AAPLEEMM C37H62N8O13S2 890.3878 NA PeJP NA NA +PJ068147 GSQEERW C37H54N12O14 890.3883 NA PeJP NA NA +PJ068148 APCQMRW C38H58N12O9S2 890.3891 NA PeJP NA NA +PJ068149 GPNMMRW C38H58N12O9S2 890.3892 NA PeJP NA NA +PJ068150 CLHFWW C46H54N10O7S 890.3898 NA PeJP NA NA +PJ068151 VCQQEER C34H58N12O14S 890.3916 NA PeJP NA NA +PJ068152 AQQEEMR C34H58N12O14S 890.3917 NA PeJP NA NA +PJ068153 NKEEWW C42H54N10O12 890.3923 NA PeJP NA NA +PJ068154 SVMMMHR C35H62N12O9S3 890.3925 NA PeJP NA NA +PJ068155 SSMHHHR C35H54N16O10S 890.393 NA PeJP NA NA +PJ068156 QHHHFW C43H50N14O8 890.3936 NA PeJP NA NA +PJ068157 GAHHHFW C43H50N14O8 890.3937 NA PeJP NA NA +PJ068158 SPNKEMW C39H58N10O12S 890.3957 NA PeJP NA NA +PJ068159 VNFYYW C47H54N8O10 890.3963 NA PeJP NA NA +MJ097039 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[2-O-Sulfo-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C42H66O18S 890.396985 NA MeJP NA NA +PJ068160 SLEEEER C35H58N10O17 890.3982 NA PeJP NA NA +PJ068161 PVEEMMR C36H62N10O12S2 890.399 NA PeJP NA NA +PJ068162 GAPQKEMM C36H62N10O12S2 890.3991 NA PeJP NA NA +PJ068163 GSDDRRW C36H54N14O13 890.3995 NA PeJP NA NA +PJ068164 GGGGGGGAAPPH C36H54N14O13 890.3996 NA PeJP NA NA +PJ068165 TKMYYW C44H58N8O10S 890.3997 NA PeJP NA NA +PJ068166 APCCRRW C37H58N14O8S2 890.4004 NA PeJP NA NA +PJ068167 SVLEEEW C40H58N8O15 890.4022 NA PeJP NA NA +PJ068168 GNEEMRR C33H58N14O13S 890.4029 NA PeJP NA NA +PJ068169 PVVEMMW C41H62N8O10S2 890.4031 NA PeJP NA NA +PJ068170 SQERWW C41H54N12O11 890.4035 NA PeJP NA NA +PJ068171 GGGGGSKWW C41H54N12O11 890.4036 NA PeJP NA NA +PJ068172 LLQEEEM C37H62N8O15S 890.4056 NA PeJP NA NA +PJ068173 APPTLMMM C38H66N8O10S3 890.4064 NA PeJP NA NA +PJ068174 AAQEMRW C38H58N12O11S 890.4069 NA PeJP NA NA +PJ068175 GKEWWW C46H54N10O9 890.4076 NA PeJP NA NA +PJ068176 SNKEEER C34H58N12O16 890.4094 NA PeJP NA NA +PJ068177 PNDKMMR C35H62N12O11S2 890.4103 NA PeJP NA NA +PJ068178 ANQEHHR C35H54N16O12 890.4107 NA PeJP NA NA +PJ068179 GQQEHHR C35H54N16O12 890.4108 NA PeJP NA NA +PJ068180 GSPKMWW C43H58N10O9S 890.4109 NA PeJP NA NA +PJ068181 HFFFFF C51H54N8O7 890.4116 NA PeJP NA NA +PJ068182 GDKKEEW C39H58N10O14 890.4134 NA PeJP NA NA +PJ068183 GGGGAAPLEY C39H58N10O14 890.4135 NA PeJP NA NA +PJ068184 GCDERRR C32H58N16O12S 890.4141 NA PeJP NA NA +PJ068185 APQKMMW C40H62N10O9S2 890.4143 NA PeJP NA NA +MJ097040 Premnaodoroside D C42H66O20 890.414744 NA MeJP NA NA +PJ068186 GVQQHHW C40H54N14O10 890.4148 NA PeJP NA NA +PJ068187 VVEEEMR C36H62N10O14S 890.4168 NA PeJP NA NA +PJ068188 GPTKYYY C44H58N8O12 890.4174 NA PeJP NA NA +PJ068189 SPPLEYW C44H58N8O12 890.4175 NA PeJP NA NA +PJ068190 TLKMMMH C37H66N10O9S3 890.4177 NA PeJP NA NA +PJ068191 NEMRRW C37H58N14O10S 890.4181 NA PeJP NA NA +PJ068192 GGEMRRW C37H58N14O10S 890.4182 NA PeJP NA NA +PJ068193 GTRWWW C45H54N12O8 890.4188 NA PeJP NA NA +PJ068194 SSQEERR C33H58N14O15 890.4206 NA PeJP NA NA +PJ068195 GGSTEERR C33H58N14O15 890.4207 NA PeJP NA NA +PJ068196 ALLEEMW C41H62N8O12S 890.4208 NA PeJP NA NA +PJ068197 SPNMMRR C34H62N14O10S2 890.4215 NA PeJP NA NA +PJ068198 GNDHHRR C34H54N18O11 890.422 NA PeJP NA NA +PJ068199 VNMRWW C42H58N12O8S 890.4222 NA PeJP NA NA +PJ068200 KWWWW C50H54N10O6 890.4228 NA PeJP NA NA +PJ068201 GTTLLEEE C37H62N8O17 890.4233 NA PeJP NA NA +PJ068202 GPTLLEMM C38H66N8O12S2 890.4242 NA PeJP NA NA +PJ068203 GSKEERW C38H58N12O13 890.4247 NA PeJP NA NA +PJ068204 APCKMRW C39H62N12O8S2 890.4255 NA PeJP NA NA +PJ068205 QQHHRW C39H54N16O9 890.426 NA PeJP NA NA +PJ068206 AQKEEMR C35H62N12O13S 890.428 NA PeJP NA NA +PJ068207 GAAKEEMR C35H62N12O13S 890.4281 NA PeJP NA NA +PJ068208 DKKEWW C43H58N10O11 890.4287 NA PeJP NA NA +PJ068209 CDRRRW C36H58N16O9S 890.4294 NA PeJP NA NA +PJ068210 KHHHFW C44H54N14O7 890.43 NA PeJP NA NA +PJ068211 SSDDRRR C32H58N16O14 890.4319 NA PeJP NA NA +PJ068212 SVLQQMW C40H62N10O11S 890.432 NA PeJP NA NA +PJ068213 GLQKEMW C40H62N10O11S 890.4321 NA PeJP NA NA +PJ068214 TKFFYW C48H58N8O9 890.4327 NA PeJP NA NA +PJ068215 PTCCRRR C33H62N16O9S2 890.4328 NA PeJP NA NA +PJ068216 GMRRWW C41H58N14O7S 890.4334 NA PeJP NA NA +PJ068217 ATTTLQQE C36H62N10O16 890.4345 NA PeJP NA NA +PJ068218 TQKKEEE C36H62N10O16 890.4346 NA PeJP NA NA +PJ068219 PQKKEMM C37H66N10O11S2 890.4354 NA PeJP NA NA +PJ068220 GGGGGVLLMM C37H66N10O11S2 890.4355 NA PeJP NA NA +PJ068221 GSTERRW C37H58N14O12 890.4359 NA PeJP NA NA +PJ068222 PPVVMYW C45H62N8O9S 890.4361 NA PeJP NA NA +PJ068223 APHHHHR C38H54N18O8 890.4372 NA PeJP NA NA +PJ068224 TTLLEEW C41H62N8O14 890.4386 NA PeJP NA NA +PJ068225 GDKEMRR C34H62N14O12S 890.4393 NA PeJP NA NA +PJ068226 PTLLMMW C42H66N8O9S2 890.4395 NA PeJP NA NA +PJ068227 SKERWW C42H58N12O10 890.4399 NA PeJP NA NA +PJ068228 SPTTLLEM C38H66N8O14S 890.4419 NA PeJP NA NA +PJ068229 LLKEEEM C38H66N8O14S 890.442 NA PeJP NA NA +PJ068230 GPVLLMMM C39H70N8O9S3 890.4428 NA PeJP NA NA +PJ068231 AAKEMRW C39H62N12O10S 890.4433 NA PeJP NA NA +PJ068232 SVKWWW C47H58N10O8 890.4439 NA PeJP NA NA +PJ068233 GAPKFWW C47H58N10O8 890.444 NA PeJP NA NA +MJ097041 Mycinamycin XI C42H70N2O16S 890.444604 NA MeJP NA NA +PJ068234 SDKKEER C35H62N12O15 890.4458 NA PeJP NA NA +PJ068235 PTQKMMR C36H66N12O10S2 890.4467 NA PeJP NA NA +PJ068236 GNNQFRR C36H58N16O11 890.4471 NA PeJP NA NA +PJ068237 GGGGGQFRR C36H58N16O11 890.4472 NA PeJP NA NA +PJ068238 LQKMWW C44H62N10O8S 890.4473 NA PeJP NA NA +MJ097042 Antibiotic MM 46115 C50H67ClN2O10 890.448424 NA MeJP NA NA +PJ068239 ATKKEEW C40H62N10O13 890.4498 NA PeJP NA NA +PJ068240 GSEMRRR C33H62N16O11S 890.4505 NA PeJP NA NA +PJ068241 APKKMMW C41H66N10O8S2 890.4507 NA PeJP NA NA +PJ068242 STRRWW C41H58N14O9 890.4512 NA PeJP NA NA +PJ068243 TLLEEMR C37H66N10O13S 890.4532 NA PeJP NA NA +PJ068244 APLLEYW C45H62N8O11 890.4538 NA PeJP NA NA +PJ068245 AAPPLEFF C45H62N8O11 890.4539 NA PeJP NA NA +PJ068246 PLLMMMR C38H70N10O8S3 890.4541 NA PeJP NA NA +PJ068247 DKMRRW C38H62N14O9S 890.4545 NA PeJP NA NA +PJ068248 LLHHWW C46H58N12O7 890.4552 NA PeJP NA NA +PJ068249 SSKEERR C34H62N14O14 890.457 NA PeJP NA NA +PJ068250 SLLLEMW C42H66N8O11S 890.4572 NA PeJP NA NA +PJ068251 GLQMMRR C35H66N14O9S2 890.4579 NA PeJP NA NA +PJ068252 GTQHHRR C35H58N18O10 890.4584 NA PeJP NA NA +PJ068253 CLKRWW C43H62N12O7S 890.4586 NA PeJP NA NA +PJ068254 SSTLLLEE C38H66N8O16 890.4597 NA PeJP NA NA +PJ068255 AALLLEMM C39H70N8O11S2 890.4606 NA PeJP NA NA +PJ068256 ATTKERW C39H62N12O12 890.461 NA PeJP NA NA +PJ068257 GGTTTLRW C39H62N12O12 890.4611 NA PeJP NA NA +PJ068258 QKHHRW C40H58N16O8 890.4624 NA PeJP NA NA +PJ068259 AKKEEMR C36H66N12O12S 890.4644 NA PeJP NA NA +PJ068260 GTTLKWW C44H62N10O10 890.4651 NA PeJP NA NA +PJ068261 SMRRRW C37H62N16O8S 890.4658 NA PeJP NA NA +MJ097043 Antibiotic PF 1025 C47H70O16 890.466386 NA MeJP NA NA +MJ097044 Desfontainic acid C47H70O16 890.466386 NA MeJP NA NA +PJ068262 SSTERRR C33H62N16O13 890.4683 NA PeJP NA NA +PJ068263 PTTKKMW C41H66N10O10S 890.4684 NA PeJP NA NA +PJ068264 GLKKEMW C41H66N10O10S 890.4685 NA PeJP NA NA +PJ068265 PPVVFFW C49H62N8O8 890.4691 NA PeJP NA NA +PJ068266 TKKKEEE C37H66N10O15 890.4709 NA PeJP NA NA +PJ068267 GSTLKKEE C37H66N10O15 890.471 NA PeJP NA NA +PJ068268 VLLEMMR C38H70N10O10S2 890.4718 NA PeJP NA NA +PJ068269 SSSLRRW C38H62N14O11 890.4723 NA PeJP NA NA +PJ068270 PVVLMFW C46H66N8O8S 890.4725 NA PeJP NA NA +MJ097045 N-Deacyltunicamycin; N4''-(3-Hydroxy-16-methylheptadecanoyl) C41H70N4O17 890.473596 NA MeJP NA NA +PJ068271 PLLKEEY C42H66N8O13 890.475 NA PeJP NA NA +PJ068272 STLQMRR C35H66N14O11S 890.4756 NA PeJP NA NA +PJ068273 ATKEMRR C35H66N14O11S 890.4757 NA PeJP NA NA +PJ068274 VVLLMMW C43H70N8O8S2 890.4758 NA PeJP NA NA +PJ068275 AAPKRYW C43H62N12O9 890.4763 NA PeJP NA NA +PJ068276 ATTLLLEM C39H70N8O13S 890.4783 NA PeJP NA NA +PJ068277 GTLKMRW C40H66N12O9S 890.4797 NA PeJP NA NA +PJ068278 PKKFWW C48H62N10O7 890.4803 NA PeJP NA NA +PJ068279 TTKKEER C36H66N12O14 890.4822 NA PeJP NA NA +PJ068280 VVQKMMR C37H70N12O9S2 890.483 NA PeJP NA NA +PJ068281 PTKKMMR C37H70N12O9S2 890.4831 NA PeJP NA NA +PJ068282 GSPRRRY C37H62N16O10 890.4835 NA PeJP NA NA +PJ068283 LKKMWW C45H66N10O7S 890.4837 NA PeJP NA NA +PJ068284 STLKKEW C41H66N10O12 890.4862 NA PeJP NA NA +PJ068285 ATTMRRR C34H66N16O10S 890.4869 NA PeJP NA NA +PJ068286 VQFRRW C42H62N14O8 890.4875 NA PeJP NA NA +MJ097046 3,14-Clerodadiene-6,13-diol, 6-O-[6-Deoxy-?-D-glucopyranosyl-(1?2)-[?-D-fucopyranosyl-(1?4)]-?-L-rhamnopyranoside], 13-O-?-D-fucopyranoside C44H74O18 890.487515 NA MeJP NA NA +MJ097047 3,14-Clerodadiene-6,13-diol, 6-O-[?-D-Fucopyranosyl-(1?2)-[?-D-fucopyranosyl-(1?4)]-?-L-rhamnopyranoside], 13-O-?-D-fucopyranoside C44H74O18 890.487515 NA MeJP NA NA +PJ068287 GGLFRRW C42H62N14O8 890.4876 NA PeJP NA NA +PJ068288 VKKKEEM C38H70N10O12S 890.4896 NA PeJP NA NA +PJ068289 SPLLLYW C46H66N8O10 890.4902 NA PeJP NA NA +PJ068290 GPKMFRR C39H66N14O8S 890.4909 NA PeJP NA NA +PJ068291 TTTKERR C35H66N14O13 890.4934 NA PeJP NA NA +PJ068292 AAPLLLMY C43H70N8O10S 890.4936 NA PeJP NA NA +PJ068293 GLKMMRR C36H70N14O8S2 890.4943 NA PeJP NA NA +PJ068294 GTKHHRR C36H62N18O9 890.4948 NA PeJP NA NA +PJ068295 TTTTLLLE C39H70N8O15 890.4961 NA PeJP NA NA +PJ068296 GTLLLLMM C40H74N8O10S2 890.497 NA PeJP NA NA +PJ068297 STTLKRW C40H66N12O11 890.4974 NA PeJP NA NA +PJ068298 GGGGVLLRY C40H66N12O11 890.4975 NA PeJP NA NA +PJ068299 AFRRRW C41H62N16O7 890.4988 NA PeJP NA NA +PJ068300 SLKKEMR C37H70N12O11S 890.5008 NA PeJP NA NA +PJ068301 GPLKKYW C45H66N10O9 890.5015 NA PeJP NA NA +MJ097048 Avermectin B1a; 22,23-Dihydro, 23S-hydroxy C48H74O15 890.502771 NA MeJP NA NA +MJ097049 Avermectin B1b; 22,23-Dihydro, 23S-hydroxy, O5-Me C48H74O15 890.502771 NA MeJP NA NA +C11960 Avermectin A2b C48H74O15 890.5028 NA KEGG NA NA +C11975 Avermectin B2a C48H74O15 890.5028 NA KEGG NA NA +PJ068302 TTTTRRR C34H66N16O12 890.5046 NA PeJP NA NA +PJ068303 SVLKKMW C42H70N10O9S 890.5048 NA PeJP NA NA +PJ068304 SSSLLKKE C38H70N10O14 890.5073 NA PeJP NA NA +PJ068305 LLQKKMM C39H74N10O9S2 890.5082 NA PeJP NA NA +PJ068306 APTKRRY C39H66N14O10 890.5087 NA PeJP NA NA +PJ068307 LLLLQEY C43H70N8O12 890.5113 NA PeJP NA NA +PJ068308 GALLLLEY C43H70N8O12 890.5114 NA PeJP NA NA +PJ068309 STLKMRR C36H70N14O10S 890.512 NA PeJP NA NA +PJ068310 GGSKKKMR C36H70N14O10S 890.5121 NA PeJP NA NA +PJ068311 AALKFRW C44H66N12O8 890.5127 NA PeJP NA NA +PJ068312 STTLLLLM C40H74N8O12S 890.5147 NA PeJP NA NA +MJ097050 Kulokainalide 1 C48H70N6O10 890.515342 NA MeJP NA NA +PJ068313 ACKKKKW C41H70N12O8S 890.5161 NA PeJP NA NA +PJ068314 SSSTLLKR C37H70N12O13 890.5186 NA PeJP NA NA +PJ068315 VVKKMMR C38H74N12O8S2 890.5194 NA PeJP NA NA +MetaCyc04249 tetrahydrogeranylgeranyl-chlorophyll a [tetrahydroGG-chlorophyll a;tetrahydroGG-chl a;tetrahydrogeranylgeranyl-chl a;] C55H70N4O5MG1 890.519663 NA metacyc NA NA +C11850 Divinylchlorophyll a C55H70MgN4O5 890.5197 NA KEGG NA NA +PJ068316 LQRRRY C38H66N16O9 890.5199 NA PeJP NA NA +PJ068317 VVLLERY C42H70N10O11 890.5226 NA PeJP NA NA +PJ068318 VKFRRW C43H66N14O7 890.5239 NA PeJP NA NA +PJ068319 GTTLLKKM C39H74N10O11S 890.526 NA PeJP NA NA +PJ068320 ALLLLYW C47H70N8O9 890.5266 NA PeJP NA NA +PJ068321 GSSTKKKR C36H70N14O12 890.5298 NA PeJP NA NA +PJ068322 AALLLLMF C44H74N8O9S 890.53 NA PeJP NA NA +PJ068323 TFRRRR C37H66N18O8 890.5311 NA PeJP NA NA +PJ068324 GPLHRRR C37H66N18O8 890.5312 NA PeJP NA NA +PJ068325 SSKKKKW C41H70N12O10 890.5338 NA PeJP NA NA +PJ068326 TQKKKKM C38H74N12O10S 890.5372 NA PeJP NA NA +PJ068327 AVLKKFW C46H70N10O8 890.5378 NA PeJP NA NA +PJ068328 GLLKKFW C46H70N10O8 890.5379 NA PeJP NA NA +PJ068329 VLLLMFR C43H74N10O8S 890.5412 NA PeJP NA NA +PJ068330 STTTLLKK C39H74N10O13 890.5437 NA PeJP NA NA +PJ068331 LLKKKMM C40H78N10O8S2 890.5446 NA PeJP NA NA +PJ068332 GVLKRRY C40H70N14O9 890.5451 NA PeJP NA NA +PJ068333 LLLLKEY C44H74N8O11 890.5477 NA PeJP NA NA +PJ068334 PPPLLLLE C44H74N8O11 890.5478 NA PeJP NA NA +PJ068335 TCKKKKR C37H74N14O9S 890.5484 NA PeJP NA NA +MJ097051 Gnidilatin; 20-Hexadecanoyl C53H78O11 890.554413 NA MeJP NA NA +MJ097052 Kraussianin; 28-Deoxy, 3-debenzoyl, 3-ketone, 18-benzoyloxy, 20-hexadecanoyl C53H78O11 890.554413 NA MeJP NA NA +PJ068336 ASTTKKKK C38H74N12O12 890.5549 NA PeJP NA NA +PJ068337 GTTTKKKK C38H74N12O12 890.555 NA PeJP NA NA +PJ068338 LKRRRY C39H70N16O8 890.5563 NA PeJP NA NA +PJ068339 TLLLLRY C43H74N10O10 890.559 NA PeJP NA NA +PJ068340 ALLKKRY C42H74N12O9 890.5702 NA PeJP NA NA +PJ068341 TKKKKKM C39H78N12O9S 890.5736 NA PeJP NA NA +PJ068342 GKKKKFR C41H74N14O8 890.5814 NA PeJP NA NA +HMDB09791 PI(16:0/22:2(13Z,16Z)) C47H87O13P 890.58844 NA HMDB2010 NA NA +HMDB09812 PI(18:0/20:2(11Z,14Z)) C47H87O13P 890.58844 NA HMDB2010 NA NA +HMDB09829 PI(18:1(11Z)/20:1(11Z)) C47H87O13P 890.58844 NA HMDB2010 NA NA +HMDB09841 PI(18:1(9Z)/20:1(11Z)) C47H87O13P 890.58844 NA HMDB2010 NA NA +HMDB09851 PI(18:2(9Z,12Z)/20:0) C47H87O13P 890.58844 NA HMDB2010 NA NA +HMDB09867 PI(20:0/18:2(9Z,12Z)) C47H87O13P 890.58844 NA HMDB2010 NA NA +HMDB09870 PI(20:1(11Z)/18:1(11Z)) C47H87O13P 890.58844 NA HMDB2010 NA NA +HMDB09871 PI(20:1(11Z)/18:1(9Z)) C47H87O13P 890.58844 NA HMDB2010 NA NA +HMDB09876 PI(20:2(11Z,14Z)/18:0) C47H87O13P 890.58844 NA HMDB2010 NA NA +HMDB09905 PI(22:2(13Z,16Z)/16:0) C47H87O13P 890.58844 NA HMDB2010 NA NA +PJ068343 VLLKKKY C44H78N10O9 890.5954 NA PeJP NA NA +PJ068344 PPLLLLLL C46H82N8O9 890.6205 NA PeJP NA NA +MJ097053 Glycerol trioctadecanoate C57H110O6 890.830241 NA MeJP NA NA +HMDB05393 TG(18:0/18:0/18:0) C57H110O6 890.83026 http://www.hmdb.ca/metabolites/HMDB05393 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05366 TG(16:0/18:0/20:0)[iso6] C57H110O6 890.83026 http://www.hmdb.ca/metabolites/HMDB05366 HMDB NA NA +HMDB05393 TG(18:0/18:0/18:0) C57H110O6 890.83026 http://www.hmdb.ca/metabolites/HMDB05393 HMDB NA NA +HMDB05393 TG(18:0/18:0/18:0) C57H110O6 890.83026 http://www.hmdb.ca/metabolites/HMDB05393 PFEM_hmdb_metabocards_blood NA blood +HMDB05366 TG(16:0/18:0/20:0)[iso6] C57H110O6 890.83026 HMDB05366 PFEM_hmdb_metabocards_official NA NA +HMDB05393 TG(18:0/18:0/18:0) C57H110O6 890.83026 HMDB05393 PFEM_hmdb_metabocards_official NA NA +HMDB05366 TG(16:0/18:0/20:0)[iso6] C57H110O6 890.830261 NA HMDB2010 NA NA +HMDB05393 TG(18:0/18:0/18:0) C57H110O6 890.830261 NA HMDB2010 NA NA +C06749 6-Hydroxycyclohex-1-enecarbonyl-CoA C28H44N7O18P3S 891.1676 NA KEGG NA NA +C06750 (1,4)-beta-D-Glucuronan C28H44N7O18P3S 891.1676 NA KEGG NA NA +C09813 2-Ketocyclohexane-1-carboxyl-CoA C28H44N7O18P3S 891.1676 NA KEGG NA NA +C16471 5-Methyl-3-oxo-4-hexenoyl-CoA C28H44N7O18P3S 891.1676 NA KEGG NA NA +MetaCyc04250 6-hydroxycyclohex-1-enecarbonyl-CoA [6-hydroxycyclohex-1-ene-1-carboxyl-CoA;] C28H44N7O18P3S1 891.167638 NA metacyc NA NA +MetaCyc04251 2-ketocyclohexane-1-carboxyl-CoA [2-ketocyclohexane-1-carbonyl-CoA;] C28H44N7O18P3S1 891.167638 NA metacyc NA NA +MetaCyc04252 6-hydroxycyclohex-1-ene-1-carboxyl-CoA [6-hydroxycyclohex-1-ene-1-carbonyl-CoA;] C28H44N7O18P3S1 891.167638 NA metacyc NA NA +HMDB12179 6-Hydroxycyclohex-1-ene-1-carboxyl-CoA C28H44N7O18P3S 891.167664 NA HMDB2010 NA NA +PJ068345 CCCCCNDE C28H45N9O14S5 891.169 NA PeJP NA NA +PJ068346 GCCCCCDW C32H45N9O11S5 891.1843 NA PeJP NA NA +PJ068347 GSSCCCCDD C28H45N9O16S4 891.1868 NA PeJP NA NA +PJ068348 GPTCCCCCC C29H49N9O11S6 891.1876 NA PeJP NA NA +C05276 trans-Oct-2-enoyl-CoA C29H48N7O17P3S 891.204 NA KEGG NA NA +C05278 (R)-3-Hydroxycapryloyl-CoA C29H48N7O17P3S 891.204 NA KEGG NA NA +HMDB02992 S-2-Octenoate coenzyme A C29H48N7O17P3S 891.20404 http://www.hmdb.ca/metabolites/HMDB02992 HMDB NA NA +HMDB03949 (2E)-Octenoyl-CoA C29H48N7O17P3S 891.20404 http://www.hmdb.ca/metabolites/HMDB03949 HMDB NA NA +HMDB02992 S-2-Octenoate coenzyme A C29H48N7O17P3S 891.20404 HMDB02992 PFEM_hmdb_metabocards_official NA NA +HMDB03949 (2E)-Octenoyl-CoA C29H48N7O17P3S 891.20404 HMDB03949 PFEM_hmdb_metabocards_official NA NA +HMDB02992 S-2-Octenoyl CoA C29H48N7O17P3S 891.204041 NA HMDB2010 NA NA +HMDB03949 (2E)-Octenoyl-CoA C29H48N7O17P3S 891.204041 NA HMDB2010 NA NA +PJ068349 SCCCCNEM C29H49N9O13S5 891.2054 NA PeJP NA NA +PJ068350 SCCCCCDR C28H49N11O12S5 891.2166 NA PeJP NA NA +PJ068351 GCCCNDDY C32H45N9O15S3 891.2198 NA PeJP NA NA +PJ068352 GSCCCCMW C33H49N9O10S5 891.2206 NA PeJP NA NA +PJ068353 GSSSCCCDM C29H49N9O15S4 891.2231 NA PeJP NA NA +PJ068354 GCCCNMMM C30H53N9O10S6 891.224 NA PeJP NA NA +PJ068355 ACCCCCMR C29H53N11O9S6 891.2352 NA PeJP NA NA +PJ068356 SSTCCCCW C33H49N9O12S4 891.2384 NA PeJP NA NA +PJ068357 SSSSSCCCE C29H49N9O17S3 891.2409 NA PeJP NA NA +PJ068358 SSCCCQMM C30H53N9O12S5 891.2418 NA PeJP NA NA +PJ068359 CDDDMMY C34H49N7O15S3 891.2449 NA PeJP NA NA +PJ068360 GCCNDDEH C31H45N11O16S2 891.2488 NA PeJP NA NA +PJ068361 CDMMMMM C32H57N7O10S6 891.2492 NA PeJP NA NA +PJ068362 SSCCCCMR C29H53N11O11S5 891.253 NA PeJP NA NA +PJ068363 CCCCQFW C37H49N9O9S4 891.2536 NA PeJP NA NA +PJ068364 GACCCCFW C37H49N9O9S4 891.2537 NA PeJP NA NA +PJ068365 GSCCNDMY C33H49N9O14S3 891.2561 NA PeJP NA NA +PJ068366 GGGSCCDMY C33H49N9O14S3 891.2562 NA PeJP NA NA +PJ068367 CDDDDFY C37H45N7O17S 891.2593 NA PeJP NA NA +PJ068368 GSSSSCCMM C30H53N9O14S4 891.2595 NA PeJP NA NA +PJ068369 ACCCCKMM C31H57N9O9S6 891.2604 NA PeJP NA NA +PJ068370 CDDMMMF C35H53N7O12S4 891.2635 NA PeJP NA NA +PJ068371 CCNDDHW C35H45N11O13S2 891.264 NA PeJP NA NA +PJ068372 SSCNDDDH C31H45N11O18S 891.2665 NA PeJP NA NA +PJ068373 SPCCCNEH C32H49N11O13S3 891.2674 NA PeJP NA NA +PJ068374 CCMMMHH C33H53N11O8S5 891.2683 NA PeJP NA NA +PJ068375 SCCCQYW C37H49N9O11S3 891.2714 NA PeJP NA NA +PJ068376 SPNDDDDD C32H45N9O21 891.273 NA PeJP NA NA +PJ068377 SSSCCNEY C33H49N9O16S2 891.2739 NA PeJP NA NA +PJ068378 CCNQMMY C34H53N9O11S4 891.2748 NA PeJP NA NA +PJ068379 SDDDDYY C37H45N7O19 891.2771 NA PeJP NA NA +PJ068380 SSSSSTCCM C30H53N9O16S3 891.2773 NA PeJP NA NA +PJ068381 PCCDEYY C38H49N7O14S2 891.2779 NA PeJP NA NA +PJ068382 SSCCCKMM C31H57N9O11S5 891.2781 NA PeJP NA NA +PJ068383 GCCNNNMH C31H49N13O12S3 891.2786 NA PeJP NA NA +PJ068384 SDDMMMY C35H53N7O14S3 891.2813 NA PeJP NA NA +PJ068385 GSPCCCHW C36H49N11O10S3 891.2826 NA PeJP NA NA +PJ068386 GNNNDDDE C31H45N11O20 891.2843 NA PeJP NA NA +PJ068387 GSCNDEMH C32H49N11O15S2 891.2851 NA PeJP NA NA +PJ068388 GGGSCDEMH C32H49N11O15S2 891.2852 NA PeJP NA NA +PJ068389 SMMMMMM C33H61N7O9S6 891.2855 NA PeJP NA NA +PJ068390 CCCNMRY C33H53N11O10S4 891.286 NA PeJP NA NA +PJ068391 DDDDEHF C36H45N9O18 891.2883 NA PeJP NA NA +PJ068392 GSSSCCYW C37H49N9O13S2 891.2892 NA PeJP NA NA +PJ068393 CCCCKFW C38H53N9O8S4 891.29 NA PeJP NA NA +PJ068394 GSSSSSCDY C33H49N9O18S 891.2917 NA PeJP NA NA +PJ068395 GSSCNMMY C34H53N9O13S3 891.2925 NA PeJP NA NA +PJ068396 CDDEHHH C34H45N13O14S 891.293 NA PeJP NA NA +PJ068397 GDDEMYY C38H49N7O16S 891.2957 NA PeJP NA NA +PJ068398 GSCCDDHR C31H49N13O14S2 891.2964 NA PeJP NA NA +PJ068399 PCCEMFY C39H53N7O11S3 891.2966 NA PeJP NA NA +PJ068400 APCCCCHR C32H53N13O9S4 891.2973 NA PeJP NA NA +MJ097054 Antibiotic A 6067 C42H53NO18S 891.298334 NA MeJP NA NA +PJ068401 NNNDDDW C35H45N11O17 891.2995 NA PeJP NA NA +PJ068402 GGGGGGDDDW C35H45N11O17 891.2996 NA PeJP NA NA +PJ068403 GEMMMMY C36H57N7O11S4 891.2999 NA PeJP NA NA +PJ068404 SCNDMHW C36H49N11O12S2 891.3004 NA PeJP NA NA +PJ068405 GPCDDDDR C32H49N11O17S 891.3029 NA PeJP NA NA +PJ068406 GSTCCCRY C33H53N11O12S3 891.3038 NA PeJP NA NA +PJ068407 GCCNFYW C41H49N9O10S2 891.3044 NA PeJP NA NA +PJ068408 PNDDDMW C37H49N9O15S 891.3069 NA PeJP NA NA +PJ068409 SCCCKYW C38H53N9O10S3 891.3078 NA PeJP NA NA +PJ068410 NNEEEEE C33H49N9O20 891.3094 NA PeJP NA NA +PJ068411 SSSSCQMY C34H53N9O15S2 891.3103 NA PeJP NA NA +PJ068412 DDMYYW C42H49N7O13S 891.3109 NA PeJP NA NA +PJ068413 CCNKMMY C35H57N9O10S4 891.3112 NA PeJP NA NA +PJ068414 SSDEEYY C38H49N7O18 891.3134 NA PeJP NA NA +PJ068415 GSSSSCNNH C31H49N13O16S 891.3141 NA PeJP NA NA +PJ068416 GGGGGGGNNDM C31H49N13O16S 891.3142 NA PeJP NA NA +PJ068417 SPCEMYY C39H53N7O13S2 891.3143 NA PeJP NA NA +PJ068418 CCNEMHR C32H53N13O11S3 891.315 NA PeJP NA NA +PJ068419 MMMMYW C40H57N7O8S4 891.3152 NA PeJP NA NA +PJ068420 ASCCHWW C40H49N11O9S2 891.3156 NA PeJP NA NA +PJ068421 GTCCHWW C40H49N11O9S2 891.3157 NA PeJP NA NA +MJ097055 Perdeacyleuojaponin; 9-(2-Acetoxy-2-methylpropanoyl), 1,2,6,8,14-penta-Ac C42H53NO20 891.316093 NA MeJP NA NA +PJ068422 PEEEEEM C35H53N7O18S 891.3168 NA PeJP NA NA +PJ068423 STEMMMY C36H57N7O13S3 891.3177 NA PeJP NA NA +PJ068424 GSSSCEHW C36H49N11O14S 891.3182 NA PeJP NA NA +PJ068425 AMMMMMF C37H61N7O8S5 891.3186 NA PeJP NA NA +PJ068426 GCQMMHW C37H53N11O9S3 891.319 NA PeJP NA NA +PJ068427 GSSSSSDEH C32H49N11O19 891.3206 NA PeJP NA NA +PJ068428 NDDDEER C32H49N11O19 891.3207 NA PeJP NA NA +PJ068429 SSSSCCRY C33H53N11O14S2 891.3215 NA PeJP NA NA +PJ068430 GGGGGGAPCEM C33H53N11O14S2 891.3216 NA PeJP NA NA +PJ068431 GPCDEWW C41H49N9O12S 891.3222 NA PeJP NA NA +PJ068432 APCCCKMH C34H57N11O9S4 891.3224 NA PeJP NA NA +PJ068433 CNNMHHH C34H49N15O10S2 891.3229 NA PeJP NA NA +PJ068434 GNEEEEW C37H49N9O17 891.3247 NA PeJP NA NA +PJ068435 GNNMMYY C38H53N9O12S2 891.3255 NA PeJP NA NA +PJ068436 GSPPCDMW C38H53N9O12S2 891.3256 NA PeJP NA NA +PJ068437 CCCDHRR C31H53N15O10S3 891.3262 NA PeJP NA NA +PJ068438 GSSSSSSMY C34H53N9O17S 891.328 NA PeJP NA NA +PJ068439 GSPNEEEM C34H53N9O17S 891.3281 NA PeJP NA NA +PJ068440 GPDDYYY C42H49N7O15 891.3287 NA PeJP NA NA +PJ068441 GSTCCKMY C35H57N9O12S3 891.3289 NA PeJP NA NA +PJ068442 CNNNNQW C35H49N13O13S 891.3294 NA PeJP NA NA +PJ068443 DMMFYW C43H53N7O10S2 891.3296 NA PeJP NA NA +PJ068444 GCCMHRW C36H53N13O8S3 891.3303 NA PeJP NA NA +PJ068445 GSNNDDDR C31H49N13O18 891.3319 NA PeJP NA NA +PJ068446 GTEEMYY C39H53N7O15S 891.3321 NA PeJP NA NA +PJ068447 GSSCDMHR C32H53N13O13S2 891.3328 NA PeJP NA NA +PJ068448 GPMMMYY C40H57N7O10S3 891.3329 NA PeJP NA NA +PJ068449 SSSCHWW C40H49N11O11S 891.3334 NA PeJP NA NA +PJ068450 VEEEEEE C35H53N7O20 891.3346 NA PeJP NA NA +PJ068451 GDDDERW C36H49N11O16 891.3359 NA PeJP NA NA +PJ068452 SVMMMMY C37H61N7O10S4 891.3363 NA PeJP NA NA +PJ068453 SSNMMHW C37H53N11O11S2 891.3368 NA PeJP NA NA +PJ068454 PCDWWW C45H49N9O9S 891.3374 NA PeJP NA NA +PJ068455 GSPDDDMR C33H53N11O16S 891.3393 NA PeJP NA NA +PJ068456 NEEEWW C41H49N9O14 891.3399 NA PeJP NA NA +PJ068457 SQQMMMH C34H57N11O11S3 891.3401 NA PeJP NA NA +PJ068458 GPPCCEMR C34H57N11O11S3 891.3402 NA PeJP NA NA +PJ068459 GSSCQHHH C34H49N15O12S 891.3406 NA PeJP NA NA +PJ068460 GGGGGGGPCHH C34H49N15O12S 891.3407 NA PeJP NA NA +PJ068461 PPTCCWW C42H53N9O9S2 891.3408 NA PeJP NA NA +PJ068462 SPNEEMW C38H53N9O14S 891.3433 NA PeJP NA NA +PJ068463 DDFFYW C46H49N7O12 891.344 NA PeJP NA NA +PJ068464 PPCQMMW C39H57N9O9S3 891.3442 NA PeJP NA NA +PJ068465 PCDHHHF C39H49N13O10S 891.3446 NA PeJP NA NA +PJ068466 SSSSSSSTY C34H53N9O19 891.3458 NA PeJP NA NA +PJ068467 SSSSCKMY C35H57N9O14S2 891.3467 NA PeJP NA NA +PJ068468 GSSNNNNW C35H49N13O15 891.3471 NA PeJP NA NA +PJ068469 GGGGGSSNNW C35H49N13O15 891.3472 NA PeJP NA NA +PJ068470 TEMYYW C43H53N7O12S 891.3473 NA PeJP NA NA +PJ068471 STCCHRW C36H53N13O10S2 891.348 NA PeJP NA NA +PJ068472 MMMFFW C44H57N7O7S3 891.3482 NA PeJP NA NA +PJ068473 CNHFWW C44H49N11O8S 891.3487 NA PeJP NA NA +PJ068474 STTEEYY C39H53N7O17 891.3498 NA PeJP NA NA +PJ068475 SSSSCEHR C32H53N13O15S 891.3505 NA PeJP NA NA +PJ068476 GGGGGGGGGGATM C32H53N13O15S 891.3506 NA PeJP NA NA +PJ068477 GVEMMYY C40H57N7O12S2 891.3507 NA PeJP NA NA +PJ068478 DDDRWW C40H49N11O13 891.3512 NA PeJP NA NA +PJ068479 SCQMMHR C33H57N13O10S3 891.3514 NA PeJP NA NA +PJ068480 ACMHHFF C41H53N11O8S2 891.352 NA PeJP NA NA +PJ068481 SPCDERW C37H53N11O13S 891.3545 NA PeJP NA NA +PJ068482 GGGGAQEMW C37H53N11O13S 891.3546 NA PeJP NA NA +PJ068483 GEEWWW C45H49N9O11 891.3552 NA PeJP NA NA +PJ068484 PPCCMRW C38H57N11O8S3 891.3554 NA PeJP NA NA +PJ068485 SNEEEER C33H53N11O18 891.357 NA PeJP NA NA +PJ068486 GGSEEEER C33H53N11O18 891.3571 NA PeJP NA NA +PJ068487 PNDEMMR C34H57N11O13S2 891.3579 NA PeJP NA NA +PJ068488 SSSSNHHH C34H49N15O14 891.3584 NA PeJP NA NA +PJ068489 GSPEMWW C42H53N9O11S 891.3586 NA PeJP NA NA +PJ068490 CCQKHHH C35H53N15O9S2 891.3592 NA PeJP NA NA +PJ068491 GACCKHHH C35H53N15O9S2 891.3593 NA PeJP NA NA +PJ068492 GSSSTQYY C38H53N9O16 891.361 NA PeJP NA NA +PJ068493 GDKEEEW C38H53N9O16 891.3611 NA PeJP NA NA +PJ068494 GSCNNNQR C31H53N15O14S 891.3617 NA PeJP NA NA +PJ068495 CNNDDRR C31H53N15O14S 891.3618 NA PeJP NA NA +PJ068496 APQEMMW C39H57N9O11S2 891.3619 NA PeJP NA NA +PJ068497 SPNDHHW C39H49N13O12 891.3624 NA PeJP NA NA +PJ068498 DMFFFW C47H53N7O9S 891.3626 NA PeJP NA NA +PJ068499 VQQEEEM C35H57N9O16S 891.3644 NA PeJP NA NA +PJ068500 GGGALEEEM C35H57N9O16S 891.3645 NA PeJP NA NA +PJ068501 GPTEYYY C43H53N7O14 891.3651 NA PeJP NA NA +PJ068502 TLEMMMH C36H61N9O11S3 891.3653 NA PeJP NA NA +PJ068503 GNNDMRW C36H53N13O12S 891.3658 NA PeJP NA NA +PJ068504 VMMYYW C44H57N7O9S2 891.3659 NA PeJP NA NA +PJ068505 GPMMFFY C44H57N7O9S2 891.366 NA PeJP NA NA +PJ068506 SNNWWW C44H49N11O10 891.3664 NA PeJP NA NA +PJ068507 GMHHHHH C37H49N17O8S 891.3671 NA PeJP NA NA +PJ068508 SDDDERR C32H53N13O17 891.3683 NA PeJP NA NA +PJ068509 SSLEMYY C40H57N7O14S 891.3684 NA PeJP NA NA +PJ068510 PCDDMRR C33H57N13O12S2 891.3691 NA PeJP NA NA +PJ068511 GGGSPCQMR C33H57N13O12S2 891.3692 NA PeJP NA NA +PJ068512 GLMMMFY C41H61N7O9S3 891.3693 NA PeJP NA NA +PJ068513 NQQMWW C41H53N11O10S 891.3698 NA PeJP NA NA +PJ068514 EWWWW C49H49N9O8 891.3704 NA PeJP NA NA +PJ068515 GSEEERW C37H53N11O15 891.3723 NA PeJP NA NA +PJ068516 GPDMMRW C38H57N11O10S2 891.3732 NA PeJP NA NA +PJ068517 GNNQHHW C38H49N15O11 891.3736 NA PeJP NA NA +PJ068518 GGGGGQHHW C38H49N15O11 891.3737 NA PeJP NA NA +PJ068519 SPMWWW C46H53N9O8S 891.3738 NA PeJP NA NA +PJ068520 AQEEEMR C34H57N11O15S 891.3757 NA PeJP NA NA +PJ068521 DKEEWW C42H53N9O13 891.3763 NA PeJP NA NA +PJ068522 GPPTCMMR C35H61N11O10S3 891.3765 NA PeJP NA NA +PJ068523 GGPPCCCKK C35H61N11O10S3 891.3766 NA PeJP NA NA +PJ068524 PCNEHHR C35H53N15O11S 891.377 NA PeJP NA NA +PJ068525 AAPMMWW C43H57N9O8S2 891.3772 NA PeJP NA NA +PJ068526 EHHHFW C43H49N13O9 891.3777 NA PeJP NA NA +PJ068527 SSSNNNNR C31H53N15O16 891.3795 NA PeJP NA NA +PJ068528 GLQEEMW C39H57N9O13S 891.3797 NA PeJP NA NA +PJ068529 PTYYYW C47H53N7O11 891.3803 NA PeJP NA NA +PJ068530 GSPCCNRR C32H57N15O11S2 891.3804 NA PeJP NA NA +PJ068531 PPCKMMW C40H61N9O8S3 891.3806 NA PeJP NA NA +PJ068532 CNQRWW C40H53N13O9S 891.381 NA PeJP NA NA +PJ068533 TQKEEEE C35H57N9O18 891.3822 NA PeJP NA NA +PJ068534 PQKEEMM C36H61N9O13S2 891.3831 NA PeJP NA NA +PJ068535 SSNNERW C36H53N13O14 891.3835 NA PeJP NA NA +PJ068536 GGGGGGPDRY C36H53N13O14 891.3836 NA PeJP NA NA +PJ068537 GPVMYYY C44H57N7O11S 891.3837 NA PeJP NA NA +PJ068538 VLMMMMH C37H65N9O8S4 891.3839 NA PeJP NA NA +PJ068539 GNMMHFR C37H57N13O9S2 891.3844 NA PeJP NA NA +PJ068540 STHHHHH C37H49N17O10 891.3849 NA PeJP NA NA +PJ068541 PLEEEEF C40H57N7O16 891.3862 NA PeJP NA NA +PJ068542 GDEEMRR C33H57N13O14S 891.3869 NA PeJP NA NA +PJ068543 ATLMMYY C41H61N7O11S2 891.3871 NA PeJP NA NA +C15927 Leucokinin I C41H53N11O12 891.3875 NA KEGG NA NA +PJ068544 GSTQQWW C41H53N11O12 891.3875 NA PeJP NA NA +PJ068545 SEERWW C41H53N11O12 891.3876 NA PeJP NA NA +PJ068546 SCKMMHR C34H61N13O9S3 891.3878 NA PeJP NA NA +PJ068547 LLEEEEM C37H61N7O16S 891.3896 NA PeJP NA NA +PJ068548 AAEEMRW C38H57N11O12S 891.3909 NA PeJP NA NA +PJ068549 GGGGGGGPVMF C38H57N11O12S 891.391 NA PeJP NA NA +PJ068550 SVEWWW C46H53N9O10 891.3916 NA PeJP NA NA +PJ068551 GPCHHRW C39H53N15O8S 891.3923 NA PeJP NA NA +PJ068552 SDKEEER C34H57N11O17 891.3934 NA PeJP NA NA +PJ068553 PTQEMMR C35H61N11O12S2 891.3943 NA PeJP NA NA +PJ068554 NNNNNFR C35H53N15O13 891.3948 NA PeJP NA NA +PJ068555 LQEMWW C43H57N9O10S 891.3949 NA PeJP NA NA +PJ068556 GALEMWW C43H57N9O10S 891.395 NA PeJP NA NA +PJ068557 ACCHFRR C36H57N15O8S2 891.3956 NA PeJP NA NA +PJ068558 ATKEEEW C39H57N9O15 891.3974 NA PeJP NA NA +PJ068559 SVDKEEW C39H57N9O15 891.3975 NA PeJP NA NA +PJ068560 SNNDMRR C32H57N15O13S 891.3981 NA PeJP NA NA +PJ068561 GGGGSDMRR C32H57N15O13S 891.3982 NA PeJP NA NA +PJ068562 APKEMMW C40H61N9O10S2 891.3983 NA PeJP NA NA +PJ068563 GSSNRWW C40H53N13O11 891.3988 NA PeJP NA NA +PJ068564 VMFFYW C48H57N7O8S 891.399 NA PeJP NA NA +PJ068565 VQKEEEM C36H61N9O15S 891.4008 NA PeJP NA NA +PJ068566 AALEYYY C44H57N7O13 891.4015 NA PeJP NA NA +PJ068567 GPPTKMMM C37H65N9O10S3 891.4017 NA PeJP NA NA +PJ068568 ASNQMRW C37H57N13O11S 891.4021 NA PeJP NA NA +PJ068569 DEMRRW C37H57N13O11S 891.4022 NA PeJP NA NA +PJ068570 GLMMFFF C45H61N7O8S2 891.4023 NA PeJP NA NA +PJ068571 QQHFFW C45H53N11O9 891.4028 NA PeJP NA NA +PJ068572 ASSSQQER C33H57N13O16 891.4046 NA PeJP NA NA +PJ068573 SSEEERR C33H57N13O16 891.4047 NA PeJP NA NA +PJ068574 TTTLMYY C41H61N7O13S 891.4048 NA PeJP NA NA +PJ068575 SPDMMRR C34H61N13O11S2 891.4055 NA PeJP NA NA +PJ068576 GGGGGGLMMR C34H61N13O11S2 891.4056 NA PeJP NA NA +PJ068577 GDDHHRR C34H53N17O12 891.406 NA PeJP NA NA +PJ068578 VDMRWW C42H57N11O9S 891.4062 NA PeJP NA NA +PJ068579 APFWWW C50H53N9O7 891.4068 NA PeJP NA NA +PJ068580 ATTEERW C38H57N11O14 891.4087 NA PeJP NA NA +PJ068581 APTMMRW C39H61N11O9S2 891.4095 NA PeJP NA NA +PJ068582 PVTCMRW C39H61N11O9S2 891.4096 NA PeJP NA NA +PJ068583 QEHHRW C39H53N15O10 891.41 NA PeJP NA NA +PJ068584 ALMWWW C47H57N9O7S 891.4102 NA PeJP NA NA +PJ068585 SSTTTKMH C35H61N11O14S 891.412 NA PeJP NA NA +PJ068586 AKEEEMR C35H61N11O14S 891.4121 NA PeJP NA NA +PJ068587 GTTLEWW C43H57N9O12 891.4127 NA PeJP NA NA +PJ068588 PVQMMMR C36H65N11O9S3 891.4129 NA PeJP NA NA +PJ068589 GSCQRRW C36H57N15O10S 891.4134 NA PeJP NA NA +PJ068590 VQHHWW C44H53N13O8 891.414 NA PeJP NA NA +PJ068591 GGLHHWW C44H53N13O8 891.4141 NA PeJP NA NA +PJ068592 GSSSNERR C32H57N15O15 891.4159 NA PeJP NA NA +PJ068593 GLKEEMW C40H61N9O12S 891.4161 NA PeJP NA NA +PJ068594 VVYYYW C48H57N7O10 891.4167 NA PeJP NA NA +PJ068595 GNQMMRR C33H61N15O10S2 891.4168 NA PeJP NA NA +PJ068596 CNKRWW C41H57N13O8S 891.4174 NA PeJP NA NA +PJ068597 TKKEEEE C36H61N9O17 891.4186 NA PeJP NA NA +PJ068598 LLQQEMM C37H65N9O12S2 891.4194 NA PeJP NA NA +PJ068599 PKKEEMM C37H65N9O12S2 891.4195 NA PeJP NA NA +PJ068600 SSNDKRW C37H57N13O13 891.4199 NA PeJP NA NA +PJ068601 GGGGGGGGAAKF C37H57N13O13 891.42 NA PeJP NA NA +PJ068602 GVLMFYY C45H61N7O10S 891.4201 NA PeJP NA NA +PJ068603 ACKMHFR C38H61N13O8S2 891.4208 NA PeJP NA NA +PJ068604 PLLEEEY C41H61N7O15 891.4226 NA PeJP NA NA +PJ068605 ATEEMRR C34H61N13O13S 891.4233 NA PeJP NA NA +PJ068606 GSTQKWW C42H57N11O11 891.4239 NA PeJP NA NA +PJ068607 GGGGAPKYW C42H57N11O11 891.424 NA PeJP NA NA +PJ068608 APMMMRR C35H65N13O8S3 891.4242 NA PeJP NA NA +PJ068609 SPCHHRR C35H57N17O9S 891.4246 NA PeJP NA NA +PJ068610 AHHRWW C43H53N15O7 891.4253 NA PeJP NA NA +PJ068611 GTLEMRW C39H61N11O11S 891.4273 NA PeJP NA NA +PJ068612 TTLWWW C47H57N9O9 891.428 NA PeJP NA NA +PJ068613 TTKEEER C35H61N11O16 891.4298 NA PeJP NA NA +PJ068614 PTKEMMR C36H65N11O11S2 891.4307 NA PeJP NA NA +PJ068615 SSSNRRW C36H57N15O12 891.4311 NA PeJP NA NA +PJ068616 GGSSSRRW C36H57N15O12 891.4312 NA PeJP NA NA +PJ068617 LKEMWW C44H61N9O9S 891.4313 NA PeJP NA NA +PJ068618 VFFFFW C52H57N7O7 891.432 NA PeJP NA NA +3764 heparin-binding peptide FACAAWQWRMKKLGA 891.4332 MH2+ Inhouse_peptide NA peptide +PJ068619 STLKEEW C40H61N9O14 891.4338 NA PeJP NA NA +PJ068620 GGGALLEEF C40H61N9O14 891.4339 NA PeJP NA NA +PJ068621 SSQQMRR C33H61N15O12S 891.4345 NA PeJP NA NA +PJ068622 SPLKMMW C41H65N9O9S2 891.4347 NA PeJP NA NA +2571 VV-hemorphin-5 VVYPWTQ 891.435 antibacterial Inhouse_peptide NA peptide +PJ068623 PDRRYW C41H57N13O10 891.4352 NA PeJP NA NA +PJ068624 VKKEEEM C37H65N9O14S 891.4372 NA PeJP NA NA +PJ068625 GTLLYYY C45H61N7O12 891.4378 NA PeJP NA NA +PJ068626 AAPLKMMM C38H69N9O9S3 891.4381 NA PeJP NA NA +PJ068627 GSQKMRW C38H61N13O10S 891.4385 NA PeJP NA NA +PJ068628 GGGTKMRW C38H61N13O10S 891.4386 NA PeJP NA NA +PJ068629 PTFRWW C46H57N11O8 891.4392 NA PeJP NA NA +PJ068630 TTTEERR C34H61N13O15 891.441 NA PeJP NA NA +PJ068631 GGASSTKER C34H61N13O15 891.4411 NA PeJP NA NA +PJ068632 GLEMMRR C35H65N13O10S2 891.4419 NA PeJP NA NA +PJ068633 GTEHHRR C35H57N17O11 891.4424 NA PeJP NA NA +PJ068634 TLMRWW C43H61N11O8S 891.4426 NA PeJP NA NA +PJ068635 STTLERW C39H61N11O13 891.4451 NA PeJP NA NA +PJ068636 SSCQRRR C32H61N17O11S 891.4458 NA PeJP NA NA +PJ068637 GVLMMRW C40H65N11O8S2 891.4459 NA PeJP NA NA +PJ068638 NNFRRW C40H57N15O9 891.4464 NA PeJP NA NA +PJ068639 SLKEEMR C36H65N11O13S 891.4484 NA PeJP NA NA +PJ068640 GGDKKKEM C36H65N11O13S 891.4485 NA PeJP NA NA +PJ068641 SSTLLWW C44H61N9O11 891.4491 NA PeJP NA NA +PJ068642 PVKMMMR C37H69N11O8S3 891.4493 NA PeJP NA NA +PJ068643 GSCKRRW C37H61N15O9S 891.4498 NA PeJP NA NA +PJ068644 VKHHWW C45H57N13O7 891.4504 NA PeJP NA NA +PJ068645 GSSSDKRR C33H61N15O14 891.4523 NA PeJP NA NA +PJ068646 SVLKEMW C41H65N9O11S 891.4525 NA PeJP NA NA +PJ068647 GVLFFFY C49H61N7O9 891.4531 NA PeJP NA NA +PJ068648 GNKMMRR C34H65N15O9S2 891.4532 NA PeJP NA NA +PJ068649 PMFRRW C42H61N13O7S 891.4538 NA PeJP NA NA +PJ068650 STTTLLQE C37H65N9O16 891.4549 NA PeJP NA NA +PJ068651 SSSLLKEE C37H65N9O16 891.455 NA PeJP NA NA +PJ068652 LLQKEMM C38H69N9O11S2 891.4558 NA PeJP NA NA +PJ068653 SSTQKRW C38H61N13O12 891.4563 NA PeJP NA NA +PJ068654 LMMRRW C39H65N13O7S2 891.4572 NA PeJP NA NA +PJ068655 THHRRW C39H57N17O8 891.4576 NA PeJP NA NA +PJ068656 LLLEEEF C42H65N7O14 891.459 NA PeJP NA NA +PJ068657 STLEMRR C35H65N13O12S 891.4597 NA PeJP NA NA +PJ068658 GSTKKWW C43H61N11O10 891.4603 NA PeJP NA NA +PJ068659 GVMHHRR C36H61N17O8S 891.461 NA PeJP NA NA +PJ068660 GSSSSRRR C32H61N17O13 891.4635 NA PeJP NA NA +PJ068661 SSLLMRW C40H65N11O10S 891.4637 NA PeJP NA NA +PJ068662 PLKYWW C48H61N9O8 891.4643 NA PeJP NA NA +PJ068663 GALLFWW C48H61N9O8 891.4644 NA PeJP NA NA +PJ068664 SSSTLLER C36H65N11O15 891.4662 NA PeJP NA NA +PJ068665 VVKEMMR C37H69N11O10S2 891.4671 NA PeJP NA NA +PJ068666 AAQQRRY C37H61N15O11 891.4675 NA PeJP NA NA +PJ068667 GGGGGLRRY C37H61N15O11 891.4676 NA PeJP NA NA +PJ068668 APLKMFW C45H65N9O8S 891.4677 NA PeJP NA NA +PJ068669 SSSSLLLW C41H65N9O13 891.4702 NA PeJP NA NA +PJ068670 SSQKMRR C34H65N15O11S 891.4709 NA PeJP NA NA +PJ068671 ALLKMMW C42H69N9O8S2 891.4711 NA PeJP NA NA +PJ068672 VEFRRW C42H61N13O9 891.4716 NA PeJP NA NA +PJ068673 MHHRRR C35H61N19O7S 891.4723 NA PeJP NA NA +PJ068674 GTTLLKEM C38H69N9O13S 891.4736 NA PeJP NA NA +MJ097056 Kahalalide K C46H65N7O11 891.474205 NA MeJP NA NA +PJ068675 GSKKMRW C39H65N13O9S 891.4749 NA PeJP NA NA +PJ068676 VVFRWW C47H61N11O7 891.4756 NA PeJP NA NA +PJ068677 GSSTKKER C35H65N13O14 891.4774 NA PeJP NA NA +PJ068678 SVLMMRR C36H69N13O9S2 891.4783 NA PeJP NA NA +PJ068679 NQRRRY C36H61N17O10 891.4788 NA PeJP NA NA +2588 tenecin-1 (33-42) YCNGKRVCVCG 891.4789 NA Inhouse_peptide NA peptide +PJ068680 SSKKKEW C40H65N11O12 891.4814 NA PeJP NA NA +MJ097057 Kurstakin; Kurstakin B C40H65N11O12 891.481416 NA MeJP NA NA +MJ097058 Kurstakin; Kurstakin C C40H65N11O12 891.481416 NA MeJP NA NA +PJ068681 GSSSLKKW C40H65N11O12 891.4815 NA PeJP NA NA +PJ068682 SSCKRRR C33H65N17O10S 891.4821 NA PeJP NA NA +PJ068683 APKHHFR C41H61N15O8 891.4828 NA PeJP NA NA +PJ068684 GTTTLLMR C37H69N11O12S 891.4848 NA PeJP NA NA +PJ068685 SPVLKYW C45H65N9O10 891.4855 NA PeJP NA NA +PJ068686 PPVMHRR C38H65N15O8S 891.4862 NA PeJP NA NA +PJ068687 GSSTTKRR C34H65N15O13 891.4887 NA PeJP NA NA +PJ068688 TTLLKMW C42H69N9O10S 891.4888 NA PeJP NA NA +PJ068689 GAPLLKMY C42H69N9O10S 891.4889 NA PeJP NA NA +PJ068690 ACKKMRR C35H69N15O8S2 891.4895 NA PeJP NA NA +PJ068691 GPNHRRR C35H61N19O9 891.49 NA PeJP NA NA +PJ068692 STTTLLKE C38H69N9O15 891.4913 NA PeJP NA NA +PJ068693 LLKKEMM C39H73N9O10S2 891.4922 NA PeJP NA NA +PJ068694 SSTKKRW C39H65N13O11 891.4927 NA PeJP NA NA +PJ068695 LLLLEEY C43H69N7O13 891.4954 NA PeJP NA NA +PJ068696 SDKKKMR C36H69N13O11S 891.4961 NA PeJP NA NA +PJ068697 AALLRYW C44H65N11O9 891.4967 NA PeJP NA NA +PJ068698 ATKKKMW C41H69N11O9S 891.5001 NA PeJP NA NA +PJ068699 LLKFWW C49H65N9O7 891.5007 NA PeJP NA NA +PJ068700 STTTTLLR C37H69N11O14 891.5026 NA PeJP NA NA +PJ068701 TLLKMMR C38H73N11O9S2 891.5035 NA PeJP NA NA +PJ068702 LERRRY C38H65N15O10 891.5039 NA PeJP NA NA +PJ068703 VLLQKEY C42H69N9O12 891.5066 NA PeJP NA NA +PJ068704 SSKKMRR C35H69N15O10S 891.5073 NA PeJP NA NA +PJ068705 VLRRYW C43H65N13O8 891.5079 NA PeJP NA NA +PJ068706 GAKKFRW C43H65N13O8 891.508 NA PeJP NA NA +PJ068707 SSTLLLKM C39H73N9O12S 891.51 NA PeJP NA NA +PJ068708 GLLMFRR C40H69N13O8S 891.5113 NA PeJP NA NA +PJ068709 SSSSLKKR C36H69N13O13 891.5138 NA PeJP NA NA +PJ068710 AKKKMMR C37H73N13O8S2 891.5147 NA PeJP NA NA +PJ068711 NKRRRY C37H65N17O9 891.5152 NA PeJP NA NA +PJ068712 TTTKKKW C41H69N11O11 891.5178 NA PeJP NA NA +PJ068713 GGGGLLKKY C41H69N11O11 891.5179 NA PeJP NA NA +PJ068714 TKKKKEM C38H73N11O11S 891.5212 NA PeJP NA NA +PJ068715 GLLLKYW C46H69N9O9 891.5219 NA PeJP NA NA +PJ068716 PLLKKMY C43H73N9O9S 891.5252 NA PeJP NA NA +PJ068717 ATLLRRY C40H69N13O10 891.5291 NA PeJP NA NA +PJ068718 TTKKKMR C37H73N13O10S 891.5324 NA PeJP NA NA +PJ068719 GVKKKFW C45H69N11O8 891.5331 NA PeJP NA NA +MJ097059 Tolytoxin; 23-Ac C48H77NO14 891.534406 NA MeJP NA NA +PJ068720 VVLKMFR C42H73N11O8S 891.5365 NA PeJP NA NA +PJ068721 SSTTLKKK C38H73N11O13 891.539 NA PeJP NA NA +PJ068722 VKKKKMM C39H77N11O8S2 891.5398 NA PeJP NA NA +PJ068723 AAKKRRY C39H69N15O9 891.5403 NA PeJP NA NA +PJ068724 VLLKKEY C43H73N9O11 891.543 NA PeJP NA NA +PJ068725 KKKFRW C44H69N13O7 891.5443 NA PeJP NA NA +PJ068726 APKKHRR C38H69N17O8 891.5515 NA PeJP NA NA +PJ068727 SLLLKRY C42H73N11O10 891.5542 NA PeJP NA NA +PJ068728 PLLKKFF C47H73N9O8 891.5583 NA PeJP NA NA +PJ068729 LLLKKMF C44H77N9O8S 891.5616 NA PeJP NA NA +PJ068730 GLKKKRY C41H73N13O9 891.5655 NA PeJP NA NA +PJ068731 VVLLHRR C40H73N15O8 891.5767 NA PeJP NA NA +PJ068732 PPVLLLLQ C44H77N9O10 891.5794 NA PeJP NA NA +PJ068733 VVKKKKY C43H77N11O9 891.5906 NA PeJP NA NA +EUR1023 PC 40:7 [M-H+acetate]- C48H82NO8P 891.598907 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1023 PC 40:7 [M-H+acetate]- C48H82NO8P 891.598907 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1023 PC 40:7 [M-H+acetate]- C48H82NO8P 891.598907 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1023 PC 40:7 [M-H+acetate]- C48H82NO8P 891.598907 masses lipides attendues Inhousejuil11 NA NA +PJ068734 LLLLKHR C42H77N13O8 891.6018 NA PeJP NA NA +PJ068735 PPVLLLLK C45H81N9O9 891.6158 NA PeJP NA NA +HMDB00024 3-O-Sulfogalactosylceramide C48H93NO11S 891.64691 http://www.hmdb.ca/metabolites/HMDB00024 PFEM_hmdb_metabocards_urine NA urine +HMDB00024 3-O-Sulfogalactosylceramide C48H93NO11S 891.64691 http://www.hmdb.ca/metabolites/HMDB00024 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00024 3-O-Sulfogalactosylceramide C48H93NO11S 891.64691 http://www.hmdb.ca/metabolites/HMDB00024 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00024 3-O-Sulfogalactosylceramide C48H93NO11S 891.64691 http://www.hmdb.ca/metabolites/HMDB00024 HMDB NA NA +HMDB00024 3-O-Sulfogalactosylceramide C48H93NO11S 891.64691 HMDB00024 PFEM_hmdb_metabocards_official NA NA +HMDB00024 3-O-Sulfogalactosylceramide (d18:1/24:0) C48H93NO11S 891.646912 NA HMDB2010 NA NA +HMDB08454 PC(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)) C52H94NO8P 891.671692 NA HMDB2010 NA NA +HMDB08487 PC(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)) C52H94NO8P 891.671692 NA HMDB2010 NA NA +HMDB08519 PC(20:5(5Z,8Z,11Z,14Z,17Z)/24:0) C52H94NO8P 891.671692 NA HMDB2010 NA NA +HMDB08549 PC(22:0/22:5(4Z,7Z,10Z,13Z,16Z)) C52H94NO8P 891.671692 NA HMDB2010 NA NA +HMDB08550 PC(22:0/22:5(7Z,10Z,13Z,16Z,19Z)) C52H94NO8P 891.671692 NA HMDB2010 NA NA +HMDB08580 PC(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)) C52H94NO8P 891.671692 NA HMDB2010 NA NA +HMDB08644 PC(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)) C52H94NO8P 891.671692 NA HMDB2010 NA NA +HMDB08676 PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:0) C52H94NO8P 891.671692 NA HMDB2010 NA NA +HMDB08709 PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:0) C52H94NO8P 891.671692 NA HMDB2010 NA NA +HMDB08774 PC(24:0/20:5(5Z,8Z,11Z,14Z,17Z)) C52H94NO8P 891.671692 NA HMDB2010 NA NA +HMDB08805 PC(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)) C52H94NO8P 891.671692 NA HMDB2010 NA NA +HMDB08806 PC(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)) C52H94NO8P 891.671692 NA HMDB2010 NA NA +MJ097060 Trypan red C32H24N6O15S5 891.990317 NA MeJP NA NA +PJ068736 CCCCCDDE C28H44N8O15S5 892.153 NA PeJP NA NA +PJ068737 CCCCCNNM C28H48N10O11S6 892.1829 NA PeJP NA NA +PJ068738 SCCCCDEM C29H48N8O14S5 892.1894 NA PeJP NA NA +PJ068739 PCCCCCMM C30H52N8O9S7 892.1903 NA PeJP NA NA +PJ068740 GSSCCCCCQ C28H48N10O13S5 892.2006 NA PeJP NA NA +PJ068741 GCCCDDDY C32H44N8O16S3 892.2038 NA PeJP NA NA +PJ068742 PCCCCCDF C33H48N8O11S5 892.2047 NA PeJP NA NA +PJ068743 GCCCDMMM C30H52N8O11S6 892.208 NA PeJP NA NA +PJ068744 SSSSCCCCN C28H48N10O15S4 892.2184 NA PeJP NA NA +PJ068745 CCCCCCQK C29H52N10O10S6 892.2193 NA PeJP NA NA +PJ068746 SPCCCCDY C33H48N8O13S4 892.2224 NA PeJP NA NA +PJ068747 SSCCCEMM C30H52N8O13S5 892.2258 NA PeJP NA NA +PJ068748 GCCCCMHH C31H48N12O9S5 892.2271 NA PeJP NA NA +MJ097061 Swertiamarin; 2'-(3,4-Dihydroxybenzoyl), 4'-(3-glucosyloxy-2-hydroxybenzoyl), 3',6'-di-Ac C40H44O23 892.227337 NA MeJP NA NA +MJ097062 Swertiamarin; 4'-O-[?-D-Glucopyranosyl-(?3)-2,3-dihydroxybenzoyl], 2'-(2,5-dihydroxybenzoyl), 3',6'-di-Ac C40H44O23 892.227337 NA MeJP NA NA +PJ068749 GCCDDDEH C31H44N10O17S2 892.2328 NA PeJP NA NA +PJ068750 GCCCCNQY C32H48N10O12S4 892.2336 NA PeJP NA NA +PJ068751 GGGGACCCCY C32H48N10O12S4 892.2337 NA PeJP NA NA +PJ068752 GSSCCCCCK C29H52N10O12S5 892.237 NA PeJP NA NA +PJ068753 CCCCEFW C37H48N8O10S4 892.2377 NA PeJP NA NA +PJ068754 GSCCDDMY C33H48N8O15S3 892.2402 NA PeJP NA NA +PJ068755 APCCCCMY C34H52N8O10S5 892.241 NA PeJP NA NA +PJ068756 GSCCMMMM C31H56N8O10S6 892.2444 NA PeJP NA NA +PJ068757 STCCCCHH C31H48N12O11S4 892.2449 NA PeJP NA NA +PJ068758 CCDDDHW C35H44N10O14S2 892.248 NA PeJP NA NA +PJ068759 SSCDDDDH C31H44N10O19S 892.2505 NA PeJP NA NA +PJ068760 SSCCCNNY C32H48N10O14S3 892.2514 NA PeJP NA NA +PJ068761 PPCCCCMH C33H52N10O9S5 892.2523 NA PeJP NA NA +PJ068762 SCCCEYW C37H48N8O12S3 892.2554 NA PeJP NA NA +PJ068763 CCCCCCKK C30H56N10O9S6 892.2556 NA PeJP NA NA +PJ068764 SPDDDDDD C32H44N8O22 892.2571 NA PeJP NA NA +PJ068765 SSSCCDEY C33H48N8O17S2 892.2579 NA PeJP NA NA +PJ068766 CCNEMMY C34H52N8O12S4 892.2588 NA PeJP NA NA +PJ068767 SSTCCMMM C31H56N8O12S5 892.2622 NA PeJP NA NA +PJ068768 GCCNNDMH C31H48N12O13S3 892.2626 NA PeJP NA NA +PJ068769 GGGGGCCDMH C31H48N12O13S3 892.2627 NA PeJP NA NA +MJ097063 Sucrose; 3'-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 6'-O-(4-hydroxy-3,5-dimethoxy-E-cinnamoyl), 1',2,4,6-tetra-Ac C41H48O22 892.263723 NA MeJP NA NA +PJ068770 GNNDDDDE C31H44N10O21 892.2683 NA PeJP NA NA +PJ068771 GSCDDEMH C32H48N10O16S2 892.2692 NA PeJP NA NA +PJ068772 CCCDMRY C33H52N10O11S4 892.27 NA PeJP NA NA +PJ068773 CCNDEFY C37H48N8O14S2 892.2732 NA PeJP NA NA +PJ068774 GCCMMYW C38H52N8O9S4 892.274 NA PeJP NA NA +PJ068775 APCCCCFF C38H52N8O9S4 892.2741 NA PeJP NA NA +PJ068776 GPDDDDEM C33H48N8O19S 892.2757 NA PeJP NA NA +PJ068777 GSSCDMMY C34H52N8O14S3 892.2765 NA PeJP NA NA +PJ068778 CCQMMMF C35H56N8O9S5 892.2774 NA PeJP NA NA +PJ068779 CCCNQHW C35H48N12O10S3 892.2779 NA PeJP NA NA +PJ068780 SSCCNNEH C31H48N12O15S2 892.2804 NA PeJP NA NA +PJ068781 NNDDDDW C35H44N10O18 892.2835 NA PeJP NA NA +PJ068782 GGNDDDDW C35H44N10O18 892.2836 NA PeJP NA NA +PJ068783 SCDDMHW C36H48N10O13S2 892.2844 NA PeJP NA NA +PJ068784 SSSDDDMH C32H48N10O18S 892.2869 NA PeJP NA NA +PJ068785 NDDMMMH C33H52N10O13S3 892.2878 NA PeJP NA NA +PJ068786 GCCDFYW C41H48N8O11S2 892.2884 NA PeJP NA NA +PJ068787 CCCMMFR C34H56N10O8S5 892.2887 NA PeJP NA NA +PJ068788 GPCCCHHH C34H48N14O9S3 892.2891 NA PeJP NA NA +PJ068789 PDDDDMW C37H48N8O16S 892.2909 NA PeJP NA NA +PJ068790 STCCMYW C38H52N8O11S3 892.2918 NA PeJP NA NA +PJ068791 NDEEEEE C33H48N8O21 892.2934 NA PeJP NA NA +PJ068792 GADDEEEE C33H48N8O21 892.2935 NA PeJP NA NA +PJ068793 SSSSCEMY C34H52N8O16S2 892.2943 NA PeJP NA NA +PJ068794 SCQMMMY C35H56N8O11S4 892.2952 NA PeJP NA NA +PJ068795 GSSCCNHW C35H48N12O12S2 892.2956 NA PeJP NA NA +PJ068796 GGGSSCCHW C35H48N12O12S2 892.2957 NA PeJP NA NA +PJ068797 GSSSSCNDH C31H48N12O17S 892.2981 NA PeJP NA NA +PJ068798 GGGSSSSCDH C31H48N12O17S 892.2982 NA PeJP NA NA +PJ068799 CCDEMHR C32H52N12O12S3 892.299 NA PeJP NA NA +FL5FABGI0021 Sempervirenoside A C42H52O21 892.3001 124862-71-1 knapsack NA NA +MJ097064 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[3-O-acetyl-?-D-xylopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C42H52O21 892.300108 NA MeJP NA NA +PJ068800 GSPCNDDW C36H48N10O15S 892.3022 NA PeJP NA NA +PJ068801 GCEMMHW C37H52N10O10S3 892.303 NA PeJP NA NA +PJ068802 GGAPPCCCW C37H52N10O10S3 892.3031 NA PeJP NA NA +PJ068803 DDDDEER C32H48N10O20 892.3047 NA PeJP NA NA +PJ068804 GSSDEMMH C33H52N10O15S2 892.3055 NA PeJP NA NA +PJ068805 GGGPNDDMM C33H52N10O15S2 892.3056 NA PeJP NA NA +PJ068806 GSCDYYW C41H48N8O13S 892.3062 NA PeJP NA NA +PJ068807 SCCMMRY C34H56N10O10S4 892.3064 NA PeJP NA NA +PJ068808 CNDMHHH C34H48N14O11S2 892.3069 NA PeJP NA NA +PJ068809 GCCMFFW C42H52N8O8S3 892.3071 NA PeJP NA NA +PJ068810 GDEEEEW C37H48N8O18 892.3087 NA PeJP NA NA +PJ068811 SCNNNNNN C30H48N14O16S 892.3094 NA PeJP NA NA +PJ068812 GNDMMYY C38H52N8O13S2 892.3096 NA PeJP NA NA +PJ068813 GSCCCQHR C31H52N14O11S3 892.3103 NA PeJP NA NA +PJ068814 GSPDEEEM C34H52N8O18S 892.3121 NA PeJP NA NA +PJ068815 GSSSMMMY C35H56N8O13S3 892.3129 NA PeJP NA NA +PJ068816 CNNNNEW C35H48N12O14S 892.3134 NA PeJP NA NA +PJ068817 CCKMMMF C36H60N8O8S5 892.3138 NA PeJP NA NA +PJ068818 CCCNKHW C36H52N12O9S3 892.3143 NA PeJP NA NA +PJ068819 GSNDDDDR C31H48N12O19 892.3159 NA PeJP NA NA +PJ068820 GPCCNDER C32H52N12O14S2 892.3168 NA PeJP NA NA +PJ068821 GCDEHFW C40H48N10O12S 892.3174 NA PeJP NA NA +PJ068822 CMMHWW C41H52N10O7S3 892.3183 NA PeJP NA NA +PJ068823 SNNDEEW C36H48N10O17 892.3199 NA PeJP NA NA +PJ068824 GGGGGPDDDF C36H48N10O17 892.32 NA PeJP NA NA +PJ068825 SSDMMHW C37H52N10O12S2 892.3208 NA PeJP NA NA +PJ068826 ACCHHHW C38H48N14O8S2 892.3221 NA PeJP NA NA +PJ068827 SSSSEEMH C33H52N10O17S 892.3233 NA PeJP NA NA +PJ068828 GNDDFYY C41H48N8O15 892.3239 NA PeJP NA NA +PJ068829 DEEEWW C41H48N8O15 892.324 NA PeJP NA NA +PJ068830 SQEMMMH C34H56N10O12S3 892.3242 NA PeJP NA NA +PJ068831 GSSCEHHH C34H48N14O13S 892.3246 NA PeJP NA NA +PJ068832 GGGPCNDHH C34H48N14O13S 892.3247 NA PeJP NA NA +PJ068833 CQMYYW C42H52N8O10S2 892.3248 NA PeJP NA NA +PJ068834 SPDEEMW C38H52N8O15S 892.3273 NA PeJP NA NA +PJ068835 SSSCCNHR C31H52N14O13S2 892.328 NA PeJP NA NA +PJ068836 PPCEMMW C39H56N8O10S3 892.3282 NA PeJP NA NA +PJ068837 GCNNNWW C39H48N12O11S 892.3287 NA PeJP NA NA +PJ068838 TQEEEEE C34H52N8O20 892.3298 NA PeJP NA NA +PJ068839 SSSSTMMY C35H56N8O15S2 892.3307 NA PeJP NA NA +PJ068840 GSSNNNDW C35H48N12O16 892.3312 NA PeJP NA NA +PJ068841 SCKMMMY C36H60N8O10S4 892.3315 NA PeJP NA NA +PJ068842 SPPPCMMM C36H60N8O10S4 892.3316 NA PeJP NA NA +PJ068843 PCCNDRW C36H52N12O11S2 892.332 NA PeJP NA NA +PJ068844 GGGGGACMHF C36H52N12O11S2 892.3321 NA PeJP NA NA +PJ068845 CDHFWW C44H48N10O9S 892.3327 NA PeJP NA NA +PJ068846 NNDDEMR C32H52N12O16S 892.3345 NA PeJP NA NA +PJ068847 GGGGDDEMR C32H52N12O16S 892.3346 NA PeJP NA NA +PJ068848 GSNDEWW C40H48N10O14 892.3352 NA PeJP NA NA +PJ068849 SCEMMHR C33H56N12O11S3 892.3354 NA PeJP NA NA +PJ068850 APCCQWW C41H52N10O9S2 892.336 NA PeJP NA NA +PJ068851 GPCNMWW C41H52N10O9S2 892.3361 NA PeJP NA NA +PJ068852 ACQQEEW C37H52N10O14S 892.3385 NA PeJP NA NA +PJ068853 GNQEEMW C37H52N10O14S 892.3386 NA PeJP NA NA +PJ068854 GTMMMHW C38H56N10O9S3 892.3394 NA PeJP NA NA +PJ068855 SSCHHHW C38H48N14O10S 892.3399 NA PeJP NA NA +PJ068856 ASTNNEEE C33H52N10O19 892.341 NA PeJP NA NA +PJ068857 SDEEEER C33H52N10O19 892.3411 NA PeJP NA NA +PJ068858 PDDEMMR C34H56N10O14S2 892.3419 NA PeJP NA NA +PJ068859 SSSSDHHH C34H48N14O15 892.3424 NA PeJP NA NA +PJ068860 GSSMYYW C42H52N8O12S 892.3426 NA PeJP NA NA +PJ068861 VNMMMMH C35H60N10O9S4 892.3428 NA PeJP NA NA +PJ068862 CCNNHFR C35H52N14O10S2 892.3433 NA PeJP NA NA +PJ068863 ATEEEEW C38H52N8O17 892.3451 NA PeJP NA NA +PJ068864 CNDDDRR C31H52N14O15S 892.3458 NA PeJP NA NA +PJ068865 APEEMMW C39H56N8O12S2 892.3459 NA PeJP NA NA +PJ068866 PVDDMMW C39H56N8O12S2 892.346 NA PeJP NA NA +PJ068867 SPDDHHW C39H48N12O13 892.3464 NA PeJP NA NA +PJ068868 GSCCCKHR C32H56N14O10S3 892.3466 NA PeJP NA NA +PJ068869 VQEEEEM C35H56N8O17S 892.3485 NA PeJP NA NA +PJ068870 GPPTEMMM C36H60N8O12S3 892.3493 NA PeJP NA NA +PJ068871 GNDDMRW C36H52N12O13S 892.3498 NA PeJP NA NA +PJ068872 SNDWWW C44H48N10O11 892.3504 NA PeJP NA NA +PJ068873 PCCMHFR C37H56N12O8S3 892.3507 NA PeJP NA NA +PJ068874 GSSNDEER C32H52N12O18 892.3523 NA PeJP NA NA +PJ068875 NNQQQMM C33H56N12O13S2 892.3531 NA PeJP NA NA +PJ068876 GSPCNEMR C33H56N12O13S2 892.3532 NA PeJP NA NA +PJ068877 GSNNNNHH C33H48N16O14 892.3536 NA PeJP NA NA +PJ068878 GGGGGGGSNHH C33H48N16O14 892.3537 NA PeJP NA NA +PJ068879 NQEMWW C41H52N10O11S 892.3538 NA PeJP NA NA +PJ068880 GMMMMHR C34H60N12O8S4 892.354 NA PeJP NA NA +PJ068881 TCCHHHR C34H52N16O9S2 892.3545 NA PeJP NA NA +PJ068882 SSQQEEW C37H52N10O16 892.3563 NA PeJP NA NA +PJ068883 STTMMHW C38H56N10O11S2 892.3572 NA PeJP NA NA +PJ068884 GNNEHHW C38H48N14O12 892.3577 NA PeJP NA NA +PJ068885 CQFFYW C46H52N8O9S 892.3578 NA PeJP NA NA +PJ068886 AEEEEMR C34H56N10O16S 892.3597 NA PeJP NA NA +PJ068887 SSSTYYW C42H52N8O14 892.3603 NA PeJP NA NA +PJ068888 SKEMMMH C35H60N10O11S3 892.3605 NA PeJP NA NA +PJ068889 TDKMMMH C35H60N10O11S3 892.3606 NA PeJP NA NA +PJ068890 SCNNNRW C35H52N14O12S 892.361 NA PeJP NA NA +PJ068891 CKMYYW C43H56N8O9S2 892.3612 NA PeJP NA NA +PJ068892 SSSNNNDR C31H52N14O17 892.3635 NA PeJP NA NA +PJ068893 GLEEEMW C39H56N8O14S 892.3637 NA PeJP NA NA +PJ068894 GSPCCDRR C32H56N14O12S2 892.3644 NA PeJP NA NA +PJ068895 PPTMMMW C40H60N8O9S3 892.3646 NA PeJP NA NA +PJ068896 CNERWW C40H52N12O10S 892.365 NA PeJP NA NA +PJ068897 GGCERWW C40H52N12O10S 892.3651 NA PeJP NA NA +PJ068898 TKEEEEE C35H56N8O19 892.3662 NA PeJP NA NA +PJ068899 PKEEEMM C36H60N8O14S2 892.3671 NA PeJP NA NA +PJ068900 SSNDERW C36H52N12O15 892.3675 NA PeJP NA NA +PJ068901 GGSSDERW C36H52N12O15 892.3676 NA PeJP NA NA +PJ068902 GPPVMMMM C37H64N8O9S4 892.368 NA PeJP NA NA +PJ068903 SPCNMRW C37H56N12O10S2 892.3684 NA PeJP NA NA +PJ068904 PNDHHHH C37H48N16O11 892.3689 NA PeJP NA NA +PJ068905 GQMWWW C45H52N10O8S 892.3691 NA PeJP NA NA +PJ068906 SNQEEMR C33H56N12O15S 892.3709 NA PeJP NA NA +PJ068907 GSTQEWW C41H52N10O13 892.3716 NA PeJP NA NA +PJ068908 STMMMHR C34H60N12O10S3 892.3718 NA PeJP NA NA +PJ068909 APCCKWW C42H56N10O8S2 892.3724 NA PeJP NA NA +PJ068910 NNHHWW C42H48N14O9 892.3729 NA PeJP NA NA +PJ068911 GNKEEMW C38H56N10O13S 892.3749 NA PeJP NA NA +PJ068912 GGGKEEMW C38H56N10O13S 892.375 NA PeJP NA NA +PJ068913 PEEFWW C46H52N8O11 892.3756 NA PeJP NA NA +PJ068914 GGGGGACCRR C31H56N16O11S2 892.3757 NA PeJP NA NA +PJ068915 PCKMMHF C39H60N10O8S3 892.3758 NA PeJP NA NA +PJ068916 GQMHHHF C39H52N14O9S 892.3763 NA PeJP NA NA +PJ068917 TTEEEER C34H56N10O18 892.3774 NA PeJP NA NA +PJ068918 GGGSTKEEE C34H56N10O18 892.3775 NA PeJP NA NA +PJ068919 PTEEMMR C35H60N10O13S2 892.3783 NA PeJP NA NA +PJ068920 NNNNDFR C35H52N14O14 892.3788 NA PeJP NA NA +PJ068921 LEEMWW C43H56N8O11S 892.379 NA PeJP NA NA +PJ068922 PPMMMMR C36H64N10O8S4 892.3792 NA PeJP NA NA +PJ068923 TCKMHHH C36H56N14O9S2 892.3797 NA PeJP NA NA +PJ068924 GCRWWW C44H52N12O7S 892.3803 NA PeJP NA NA +PJ068925 SSSSSLYY C39H56N8O16 892.3814 NA PeJP NA NA +PJ068926 STLEEEW C39H56N8O16 892.3815 NA PeJP NA NA +PJ068927 GSSNNQMR C32H56N14O14S 892.3821 NA PeJP NA NA +PJ068928 SNDDMRR C32H56N14O14S 892.3822 NA PeJP NA NA +PJ068929 SPLEMMW C40H60N8O11S2 892.3823 NA PeJP NA NA +PJ068930 GSSDRWW C40H52N12O12 892.3828 NA PeJP NA NA +PJ068931 PCCQMRR C33H60N14O9S3 892.383 NA PeJP NA NA +PJ068932 VKEEEEM C36H60N8O16S 892.3848 NA PeJP NA NA +PJ068933 AAPLEMMM C37H64N8O11S3 892.3857 NA PeJP NA NA +PJ068934 GSQEMRW C37H56N12O12S 892.3862 NA PeJP NA NA +PJ068935 STQWWW C45H52N10O10 892.3868 NA PeJP NA NA +PJ068936 GCHHHFR C38H52N16O8S 892.3875 NA PeJP NA NA +PJ068937 GSSTQEER C33H56N12O17 892.3887 NA PeJP NA NA +PJ068938 AQQEMMR C34H60N12O12S2 892.3895 NA PeJP NA NA +PJ068939 GAAQEMMR C34H60N12O12S2 892.3896 NA PeJP NA NA +PJ068940 SNNEHHR C34H52N16O13 892.39 NA PeJP NA NA +PJ068941 NKEMWW C42H56N10O10S 892.3902 NA PeJP NA NA +PJ068942 SSQKEEW C38H56N10O15 892.3927 NA PeJP NA NA +PJ068943 GSSCNNRR C31H56N16O13S 892.3934 NA PeJP NA NA +PJ068944 SPNKMMW C39H60N10O10S2 892.3936 NA PeJP NA NA +PJ068945 EEHHRW C39H52N14O11 892.394 NA PeJP NA NA +PJ068946 GGGDKHHW C39H52N14O11 892.3941 NA PeJP NA NA +PJ068947 CKFFYW C47H56N8O8S 892.3942 NA PeJP NA NA +PJ068948 PCCCRRR C32H60N16O8S3 892.3943 NA PeJP NA NA +PJ068949 SLEEEMR C35H60N10O15S 892.3961 NA PeJP NA NA +PJ068950 GPLEEYW C43H56N8O13 892.3967 NA PeJP NA NA +PJ068951 PVEMMMR C36H64N10O10S3 892.3969 NA PeJP NA NA +PJ068952 GGAAPKMMM C36H64N10O10S3 892.397 NA PeJP NA NA +PJ068953 GSCERRW C36H56N14O11S 892.3974 NA PeJP NA NA +PJ068954 PPCLMFW C44H60N8O8S2 892.3976 NA PeJP NA NA +PJ068955 VEHHWW C44H52N12O9 892.3981 NA PeJP NA NA +PJ068956 GSSSDERR C32H56N14O16 892.3999 NA PeJP NA NA +PJ068957 SVLEEMW C40H60N8O13S 892.4001 NA PeJP NA NA +PJ068958 GNEMMRR C33H60N14O11S2 892.4008 NA PeJP NA NA +PJ068959 PVVMMMW C41H64N8O8S3 892.401 NA PeJP NA NA +PJ068960 SQMRWW C41H56N12O9S 892.4014 NA PeJP NA NA +PJ068961 AHFFWW C49H52N10O7 892.4021 NA PeJP NA NA +PJ068962 SSSLLEEE C36H60N8O18 892.4026 NA PeJP NA NA +PJ068963 LLQEEMM C37H64N8O13S2 892.4035 NA PeJP NA NA +PJ068964 SSTQERW C37H56N12O14 892.4039 NA PeJP NA NA +PJ068965 GGGGGGGSPKY C37H56N12O14 892.404 NA PeJP NA NA +PJ068966 AAQMMRW C38H60N12O9S2 892.4048 NA PeJP NA NA +PJ068967 GSNHHRW C38H52N16O10 892.4053 NA PeJP NA NA +PJ068968 GKMWWW C46H56N10O7S 892.4055 NA PeJP NA NA +PJ068969 SNKEEMR C34H60N12O14S 892.4073 NA PeJP NA NA +PJ068970 SSSLQWW C42H56N10O12 892.4079 NA PeJP NA NA +PJ068971 GSTKEWW C42H56N10O12 892.408 NA PeJP NA NA +PJ068972 PCQKMMR C35H64N12O9S3 892.4082 NA PeJP NA NA +PJ068973 GQQMHHR C35H56N16O10S 892.4086 NA PeJP NA NA +PJ068974 GGAQMHHR C35H56N16O10S 892.4087 NA PeJP NA NA +PJ068975 GDKKEMW C39H60N10O12S 892.4113 NA PeJP NA NA +PJ068976 PLEYWW C47H56N8O10 892.412 NA PeJP NA NA +PJ068977 SCRRWW C40H56N14O8S 892.4127 NA PeJP NA NA +PJ068978 GSSKKEEE C35H60N10O17 892.4138 NA PeJP NA NA +PJ068979 VVEEMMR C36H64N10O12S2 892.4147 NA PeJP NA NA +PJ068980 SSSDRRW C36H56N14O13 892.4152 NA PeJP NA NA +PJ068981 SPPLMYW C44H60N8O10S 892.4153 NA PeJP NA NA +PJ068982 PVVDMFW C44H60N8O10S 892.4154 NA PeJP NA NA +PJ068983 NMMRRW C37H60N14O8S2 892.416 NA PeJP NA NA +PJ068984 ASPVLDEY C40H60N8O15 892.4178 NA PeJP NA NA +PJ068985 PVKEEEY C40H60N8O15 892.4179 NA PeJP NA NA +PJ068986 SSQEMRR C33H60N14O13S 892.4185 NA PeJP NA NA +PJ068987 GGGGGSSKMR C33H60N14O13S 892.4186 NA PeJP NA NA +PJ068988 ALLEMMW C41H64N8O10S2 892.4187 NA PeJP NA NA +PJ068989 GSTTRWW C41H56N12O11 892.4192 NA PeJP NA NA +PJ068990 PCCKMRR C34H64N14O8S3 892.4194 NA PeJP NA NA +PJ068991 GCQHHRR C34H56N18O9S 892.4199 NA PeJP NA NA +PJ068992 GTTLLEEM C37H64N8O15S 892.4212 NA PeJP NA NA +PJ068993 GPTLLMMM C38H68N8O10S3 892.4221 NA PeJP NA NA +PJ068994 ATTQMRW C38H60N12O11S 892.4225 NA PeJP NA NA +PJ068995 GSKEMRW C38H60N12O11S 892.4226 NA PeJP NA NA +PJ068996 STKWWW C46H56N10O9 892.4232 NA PeJP NA NA +PJ068997 SSSSLQER C34H60N12O16 892.425 NA PeJP NA NA +PJ068998 GSSTKEER C34H60N12O16 892.4251 NA PeJP NA NA +PJ068999 AQKEMMR C35H64N12O11S2 892.4259 NA PeJP NA NA +PJ069000 GGGGGAKKMM C35H64N12O11S2 892.426 NA PeJP NA NA +PJ069001 GNNNRRY C35H56N16O12 892.4264 NA PeJP NA NA +PJ069002 DKKMWW C43H60N10O9S 892.4266 NA PeJP NA NA +PJ069003 SSKKEEW C39H60N10O14 892.4291 NA PeJP NA NA +PJ069004 SSCERRR C32H60N16O12S 892.4298 NA PeJP NA NA +PJ069005 AVQKMMW C40H64N10O9S2 892.4299 NA PeJP NA NA +PJ069006 GLQKMMW C40H64N10O9S2 892.43 NA PeJP NA NA +PJ069007 NDFRRW C40H56N14O10 892.4304 NA PeJP NA NA +PJ069008 ASSLQKEM C36H64N10O14S 892.4324 NA PeJP NA NA +PJ069009 TQKKEEM C36H64N10O14S 892.4325 NA PeJP NA NA +PJ069010 SPVLEYW C44H60N8O12 892.4331 NA PeJP NA NA +PJ069011 PQKKMMM C37H68N10O9S3 892.4333 NA PeJP NA NA +PJ069012 GSTMRRW C37H60N14O10S 892.4338 NA PeJP NA NA +PJ069013 AQFRWW C45H56N12O8 892.4344 NA PeJP NA NA +PJ069014 GAAFRWW C45H56N12O8 892.4345 NA PeJP NA NA +PJ069015 GSSTTERR C33H60N14O15 892.4363 NA PeJP NA NA +PJ069016 TTLLEMW C41H64N8O12S 892.4365 NA PeJP NA NA +PJ069017 GDKMMRR C34H64N14O10S2 892.4372 NA PeJP NA NA +PJ069018 SSNHHRR C34H56N18O11 892.4376 NA PeJP NA NA +PJ069019 SKMRWW C42H60N12O8S 892.4378 NA PeJP NA NA +PJ069020 STTTLLEE C37H64N8O17 892.439 NA PeJP NA NA +PJ069021 SPTTLLMM C38H68N8O12S2 892.4398 NA PeJP NA NA +PJ069022 LLKEEMM C38H68N8O12S2 892.4399 NA PeJP NA NA +PJ069023 SSTKERW C38H60N12O13 892.4403 NA PeJP NA NA +PJ069024 GGGGGGGAPPPL C38H60N12O13 892.4404 NA PeJP NA NA +PJ069025 AAKMMRW C39H64N12O8S2 892.4412 NA PeJP NA NA +PJ069026 PTKHHHH C39H56N16O9 892.4417 NA PeJP NA NA +PJ069027 SDKKEMR C35H64N12O13S 892.4437 NA PeJP NA NA +PJ069028 SSSLKWW C43H60N10O11 892.4443 NA PeJP NA NA +PJ069029 GGGGALLYW C43H60N10O11 892.4444 NA PeJP NA NA +PJ069030 PCKKMMR C36H68N12O8S3 892.4446 NA PeJP NA NA +PJ069031 PPCQHRR C36H60N16O9S 892.445 NA PeJP NA NA +PJ069032 ATKKEMW C40H64N10O11S 892.4477 NA PeJP NA NA +PJ069033 LLEFWW C48H60N8O9 892.4484 NA PeJP NA NA +PJ069034 MHFFRR C41H60N14O7S 892.4491 NA PeJP NA NA +PJ069035 GTTTKKEE C36H64N10O16 892.4502 NA PeJP NA NA +PJ069036 TLLEMMR C37H68N10O11S2 892.4511 NA PeJP NA NA +PJ069037 SSTTRRW C37H60N14O12 892.4515 NA PeJP NA NA +PJ069038 AAQERRY C37H60N14O12 892.4516 NA PeJP NA NA +PJ069039 APLLMYW C45H64N8O9S 892.4517 NA PeJP NA NA +PJ069040 GLHHHHR C38H56N18O8 892.4529 NA PeJP NA NA +PJ069041 VLLQEEY C41H64N8O14 892.4542 NA PeJP NA NA +PJ069042 SSKEMRR C34H64N14O12S 892.4549 NA PeJP NA NA +PJ069043 SLLLMMW C42H68N8O9S2 892.4551 NA PeJP NA NA +PJ069044 GSPKRYW C42H60N12O10 892.4556 NA PeJP NA NA +PJ069045 GCKHHRR C35H60N18O8S 892.4563 NA PeJP NA NA +MJ097065 Brasilicardin A C45H68N2O16 892.456884 NA MeJP NA NA +PJ069046 SSTLLLEM C38H68N8O14S 892.4576 NA PeJP NA NA +PJ069047 AALLLMMM C39H72N8O9S3 892.4585 NA PeJP NA NA +PJ069048 ATTKMRW C39H64N12O10S 892.4589 NA PeJP NA NA +PJ069049 GGSCKKKW C39H64N12O10S 892.459 NA PeJP NA NA +PJ069050 VQKFWW C47H60N10O8 892.4596 NA PeJP NA NA +PJ069051 SSSSLKER C35H64N12O15 892.4614 NA PeJP NA NA +PJ069052 GGGGSTTTKK C35H64N12O15 892.4615 NA PeJP NA NA +PJ069053 AKKEMMR C36H68N12O10S2 892.4623 NA PeJP NA NA +PJ069054 NERRRY C36H60N16O11 892.4628 NA PeJP NA NA +PJ069055 GPKKMFW C44H64N10O8S 892.463 NA PeJP NA NA +PJ069056 TTTKKEW C40H64N10O13 892.4655 NA PeJP NA NA +PJ069057 SSTMRRR C33H64N16O11S 892.4662 NA PeJP NA NA +PJ069058 GLKKMMW C41H68N10O8S2 892.4663 NA PeJP NA NA +PJ069059 VNRRYW C41H60N14O9 892.4668 NA PeJP NA NA +PJ069060 TKKKEEM C37H68N10O13S 892.4688 NA PeJP NA NA +MJ097066 Neoviridogrisein III C45H64N8O11 892.469454 NA MeJP NA NA +PJ069061 GLLLEYW C45H64N8O11 892.4695 NA PeJP NA NA +PJ069062 VLLMMMR C38H72N10O8S3 892.4697 NA PeJP NA NA +PJ069063 APCKRRY C38H64N14O9S 892.4702 NA PeJP NA NA +PJ069064 AKFRWW C46H60N12O7 892.4708 NA PeJP NA NA +PJ069065 SSSSTLRR C34H64N14O14 892.4727 NA PeJP NA NA +PJ069066 PLLKEMY C42H68N8O11S 892.4729 NA PeJP NA NA +PJ069067 ATKMMRR C35H68N14O9S2 892.4735 NA PeJP NA NA +PJ069068 SCLKMRR C35H68N14O9S2 892.4736 NA PeJP NA NA +PJ069069 GPDHRRR C35H60N18O10 892.474 NA PeJP NA NA +PJ069070 ATTLLLMM C39H72N8O11S2 892.4762 NA PeJP NA NA +PJ069071 TTTTKRW C39H64N12O12 892.4767 NA PeJP NA NA +PJ069072 GRRRYW C40H60N16O8 892.478 NA PeJP NA NA +PJ069073 PPLHHHR C40H60N16O8 892.4781 NA PeJP NA NA +PJ069074 TTKKEMR C36H68N12O12S 892.4801 NA PeJP NA NA +PJ069075 APTKKYW C44H64N10O10 892.4807 NA PeJP NA NA +PJ069076 QMFRRR C37H64N16O8S 892.4814 NA PeJP NA NA +MJ097067 3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[6-O-Methyl-?-D-glucuronopyranosyl-(1?2)-6-O-butyl-?-D-glucuronopyranoside] C47H72O16 892.482036 NA MeJP NA NA +PJ069077 STLKKMW C41H68N10O10S 892.4841 NA PeJP NA NA +PJ069078 LLLYWW C49H64N8O8 892.4847 NA PeJP NA NA +PJ069079 APLLFFW C49H64N8O8 892.4848 NA PeJP NA NA +PJ069080 SSTTLKKE C37H68N10O15 892.4866 NA PeJP NA NA +PJ069081 VKKKEMM C38H72N10O10S2 892.4875 NA PeJP NA NA +PJ069082 AAKERRY C38H64N14O11 892.4879 NA PeJP NA NA +PJ069083 GGGGAKKRY C38H64N14O11 892.488 NA PeJP NA NA +PJ069084 ALLLMFW C46H68N8O8S 892.4881 NA PeJP NA NA +PJ069085 VLLKEEY C42H68N8O13 892.4906 NA PeJP NA NA +PJ069086 TTTKMRR C35H68N14O11S 892.4913 NA PeJP NA NA +PJ069087 LQKRYW C43H64N12O9 892.492 NA PeJP NA NA +PJ069088 CFRRRR C36H64N18O7S 892.4927 NA PeJP NA NA +PJ069089 TTTTLLLM C39H72N8O13S 892.494 NA PeJP NA NA +PJ069090 APKKMRY C40H68N12O9S 892.4953 NA PeJP NA NA +PJ069091 VKKFWW C48H64N10O7 892.496 NA PeJP NA NA +PJ069092 SSTTTLKR C36H68N12O14 892.4978 NA PeJP NA NA +PJ069093 SLKKMMR C37H72N12O9S2 892.4987 NA PeJP NA NA +MJ097068 Chlorophyll b C54H68MgN4O6 892.498927 NA MeJP NA NA +PJ069094 DKRRRY C37H64N16O10 892.4992 NA PeJP NA NA +PJ069095 SLLLERY C41H68N10O12 892.5018 NA PeJP NA NA +PJ069096 TLLLDRY C41H68N10O12 892.5019 NA PeJP NA NA +PJ069097 TKFRRW C42H64N14O8 892.5032 NA PeJP NA NA +PJ069098 SSSLLKKM C38H72N10O12S 892.5052 NA PeJP NA NA +PJ069099 SVLLLYW C46H68N8O10 892.5059 NA PeJP NA NA +PJ069100 GVKMFRR C39H68N14O8S 892.5066 NA PeJP NA NA +PJ069101 LLLLQMY C43H72N8O10S 892.5092 NA PeJP NA NA +PJ069102 GALLLLMY C43H72N8O10S 892.5093 NA PeJP NA NA +PJ069103 CCKKKKR C36H72N14O8S2 892.5099 NA PeJP NA NA +PJ069104 SRRRRY C36H64N18O9 892.5104 NA PeJP NA NA +PJ069105 GLKKERY C40H68N12O11 892.5131 NA PeJP NA NA +PJ069106 GSSKKKKM C37H72N12O11S 892.5165 NA PeJP NA NA +PJ069107 GVLKKYW C45H68N10O9 892.5171 NA PeJP NA NA +PJ069108 KMFRRR C38H68N16O7S 892.5178 NA PeJP NA NA +PJ069109 VVLLMRY C42H72N10O9S 892.5205 NA PeJP NA NA +PJ069110 TTTTTLKK C38H72N10O14 892.523 NA PeJP NA NA +PJ069111 GTLKRRY C39H68N14O10 892.5243 NA PeJP NA NA +PJ069112 GTTLLLLY C43H72N8O12 892.527 NA PeJP NA NA +PJ069113 LKKRYW C44H68N12O8 892.5283 NA PeJP NA NA +PJ069114 PPPLKRW C44H68N12O8 892.5284 NA PeJP NA NA +PJ069115 ALKKMFR C41H72N12O8S 892.5317 NA PeJP NA NA +MJ097069 Oscillol; 2,2'-Di-O-?-L-rhamnopyranoside C52H76O12 892.533677 NA MeJP NA NA +MJ097070 Zeaxanthin; Di-O-?-D-glucopyranoside C52H76O12 892.533677 NA MeJP NA NA +C15969 Zeaxanthin diglucoside C52H76O12 892.5337 NA KEGG NA NA +C16275 (2S,2'S)-Oscillol 2,2'-di(alpha-L-fucoside) C52H76O12 892.5337 NA KEGG NA NA +PJ069116 SSSTKKKK C37H72N12O13 892.5342 NA PeJP NA NA +PJ069117 CKKKKKM C38H76N12O8S2 892.5351 NA PeJP NA NA +C05306 Chlorophyll a C55H72MgN4O5 892.5353 NA KEGG NA NA +MJ097071 Chlorophyll a C55H72MgN4O5 892.535313 NA MeJP NA NA +MetaCyc04253 chlorophyll a [chlorophyll a;] C55H72N4O5MG1 892.535313 NA metacyc NA NA +PJ069118 SPLKHRR C38H68N16O9 892.5356 NA PeJP NA NA +PJ069119 VVKKKEY C42H72N10O11 892.5382 NA PeJP NA NA +PJ069120 GVLLLLEH C42H72N10O11 892.5383 NA PeJP NA NA +MJ097072 Hymenistatin I C47H72N8O9 892.542225 NA MeJP NA NA +PJ069121 PLLLKFY C47H72N8O9 892.5423 NA PeJP NA NA +PJ069122 LLLLKMY C44H76N8O9S 892.5456 NA PeJP NA NA +PJ069123 GVLHRRR C37H68N18O8 892.5468 NA PeJP NA NA +PJ069124 SVLKKRY C41H72N12O10 892.5495 NA PeJP NA NA +PJ069125 VLLLLHW C46H72N10O8 892.5535 NA PeJP NA NA +PJ069126 VLKKKMF C43H76N10O8S 892.5569 NA PeJP NA NA +PJ069127 LHRRRR C36H68N20O7 892.558 NA PeJP NA NA +PJ069128 AAPPLLRR C40H72N14O9 892.5607 NA PeJP NA NA +PJ069129 PPVLLLLE C44H76N8O11 892.5634 NA PeJP NA NA +PJ069130 ALLKHRR C39H72N16O8 892.5719 NA PeJP NA NA +PJ069131 PPVLRRR C39H72N16O8 892.572 NA PeJP NA NA +PJ069132 TLLKKKY C43H76N10O10 892.5746 NA PeJP NA NA +PJ069133 LLLLKFF C48H76N8O8 892.5787 NA PeJP NA NA +PJ069134 AKKKKKY C42H76N12O9 892.5859 NA PeJP NA NA +PJ069135 VLLKKHR C41H76N14O8 892.5971 NA PeJP NA NA +PJ069136 PPVVLLKK C44H80N10O9 892.611 NA PeJP NA NA +MJ097073 S 365A C47H88O15 892.612322 NA MeJP NA NA +PJ069137 PVLLLLLL C46H84N8O9 892.6362 NA PeJP NA NA +MetaCyc04254 5-hydroxythiophene-2-carbonyl-CoA [[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-3-[2-[2-[(5-hydroxy-2-thienyl)carbonylsulfanyl] ethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]- phosphinoyl]oxy-phosphinoyl]oxymethyl]tetrahydrofuran-3-yl] oxyphosphonic acid;] C26H38N7O18P3S2 893.092758 NA metacyc NA NA +C07348 5-Hydroxythiophene-2-carbonyl-CoA C26H38N7O18P3S2 893.0928 NA KEGG NA NA +C03231 3-Methylglutaconyl-CoA C27H42N7O19P3S 893.1469 NA KEGG NA NA +C14144 5-Carboxy-2-pentenoyl-CoA C27H42N7O19P3S 893.1469 NA KEGG NA NA +MJ097074 3-Methylglutaconyl-CoA C27H42N7O19P3S 893.146902 NA MeJP NA NA +MetaCyc04255 trans-2,3-dehydroadipyl-coA [] C27H42N7O19P3S1 893.146902 NA metacyc NA NA +MetaCyc04256 cis-3,4-dehydroadipyl-CoA [] C27H42N7O19P3S1 893.146902 NA metacyc NA NA +MetaCyc04257 3,6-lactone of 3-hydroxyadinyl-CoA [] C27H42N7O19P3S1 893.146902 NA metacyc NA NA +MetaCyc04258 3-methylglutaconyl-CoA [trans-3-methylglutaconyl-CoA;] C27H42N7O19P3S1 893.146902 NA metacyc NA NA +HMDB01057 3-Methylglutaconyl-CoA C27H42N7O19P3S 893.14691 http://www.hmdb.ca/metabolites/HMDB01057 HMDB NA NA +HMDB01057 3-Methylglutaconyl-CoA C27H42N7O19P3S 893.14691 HMDB01057 PFEM_hmdb_metabocards_official NA NA +HMDB01057 3-Methylglutaconyl-CoA C27H42N7O19P3S 893.146912 NA HMDB2010 NA NA +PJ069138 GPCCCCCCC C28H47N9O10S7 893.1491 NA PeJP NA NA +PJ069139 CCCCCNDM C28H47N9O12S6 893.1669 NA PeJP NA NA +PJ069140 ACCCCCCW C32H47N9O9S6 893.1821 NA PeJP NA NA +MetaCyc04259 2-hydroxy-cyclohexane-1-carboxyl-CoA [2-hydroxy-cyclohexane-1-carbonyl-CoA;] C28H46N7O18P3S1 893.183288 NA metacyc NA NA +C09812 2-Hydroxycyclohexane-1-carboxyl-CoA C28H46N7O18P3S 893.1833 NA KEGG NA NA +C16469 3-Hydroxy-5-methylhex-4-enoyl-CoA C28H46N7O18P3S 893.1833 NA KEGG NA NA +PJ069141 GSSCCCCCE C28H47N9O14S5 893.1846 NA PeJP NA NA +PJ069142 SSCCCCCW C32H47N9O11S5 893.1999 NA PeJP NA NA +PJ069143 SSSSCCCCD C28H47N9O16S4 893.2024 NA PeJP NA NA +PJ069144 SCCCCNMM C29H51N9O11S6 893.2033 NA PeJP NA NA +MetaCyc04260 crotonobetainyl-CoA [] C28H48N8O17P3S1 893.207097 NA metacyc NA NA +PJ069145 TCCCCCCR C28H51N11O10S6 893.2145 NA PeJP NA NA +PJ069146 GCCCCNEY C32H47N9O13S4 893.2177 NA PeJP NA NA +HMDB01070 Octanoyl-CoA C29H50N7O17P3S 893.219666 NA HMDB2010 NA NA +HMDB01070 Octanoyl-CoA C29H50N7O17P3S 893.21967 http://www.hmdb.ca/metabolites/HMDB01070 HMDB NA NA +HMDB01070 Octanoyl-CoA C29H50N7O17P3S 893.21967 HMDB01070 PFEM_hmdb_metabocards_official NA NA +MJ097075 Octanoyl-CoA C29H50N7O17P3S 893.219673 NA MeJP NA NA +MetaCyc04261 octanoyl-CoA [capryloyl-CoA;octanoyl-CoA;] C29H50N7O17P3S1 893.219673 NA metacyc NA NA +MetaCyc04262 octanoyl-CoA [Octanoyl-CoA (n-C8:0CoA);capryloyl-CoA;] C29H50N7O17P3S1 893.219673 NA metacyc NA NA +C01944 Octanoyl-CoA C29H50N7O17P3S 893.2197 NA KEGG NA NA +PJ069147 GSSTCCCCM C29H51N9O13S5 893.221 NA PeJP NA NA +PJ069148 PCCCCNDH C31H47N11O12S4 893.2289 NA PeJP NA NA +PJ069149 CCCCNYW C36H47N9O10S4 893.2329 NA PeJP NA NA +PJ069150 SSCCCNDY C32H47N9O15S3 893.2354 NA PeJP NA NA +PJ069151 GCCCCQMF C33H51N9O10S5 893.2363 NA PeJP NA NA +PJ069152 SSSSSCCCM C29H51N9O15S4 893.2388 NA PeJP NA NA +PJ069153 TCCCCCKM C30H55N9O10S6 893.2397 NA PeJP NA NA +PJ069154 CCDEMMY C34H51N7O13S4 893.2428 NA PeJP NA NA +PJ069155 GCCNDDMH C31H47N11O14S3 893.2467 NA PeJP NA NA +PJ069156 GCCCCCFR C32H51N11O9S5 893.2475 NA PeJP NA NA +PJ069157 GNDDDDDE C31H43N9O22 893.2523 NA PeJP NA NA +PJ069158 GSCCCQMY C33H51N9O12S4 893.254 NA PeJP NA NA +PJ069159 GPPPCCCCD C33H51N9O12S4 893.2541 NA PeJP NA NA +PJ069160 CCDDEFY C37H47N7O15S2 893.2572 NA PeJP NA NA +PJ069161 SCCCNNNH C30H47N13O13S3 893.2579 NA PeJP NA NA +PJ069162 CCEMMMF C35H55N7O10S5 893.2614 NA PeJP NA NA +PJ069163 CCCNEHW C35H47N11O11S3 893.2619 NA PeJP NA NA +PJ069164 SSCCNDEH C31H47N11O16S2 893.2644 NA PeJP NA NA +PJ069165 GSCCCCRY C32H51N11O11S4 893.2653 NA PeJP NA NA +PJ069166 NDDDDDW C35H43N9O19 893.2676 NA PeJP NA NA +PJ069167 CCNNDYY C36H47N9O14S2 893.2684 NA PeJP NA NA +PJ069168 SPCNDDDE C32H47N9O19S 893.2709 NA PeJP NA NA +PJ069169 SSSCCNMY C33H51N9O14S3 893.2718 NA PeJP NA NA +PJ069170 GCCCCKMF C34H55N9O9S5 893.2727 NA PeJP NA NA +PJ069171 SCDDEYY C37H47N7O17S 893.2749 NA PeJP NA NA +PJ069172 PCCDMYY C38H51N7O12S3 893.2758 NA PeJP NA NA +PJ069173 GCCCHWW C39H47N11O8S3 893.2772 NA PeJP NA NA +PJ069174 DDEEEEE C33H47N7O22 893.2775 NA PeJP NA NA +PJ069175 SCEMMMY C35H55N7O12S4 893.2792 NA PeJP NA NA +PJ069176 GSSCCDHW C35H47N11O13S2 893.2797 NA PeJP NA NA +PJ069177 GSSSSCDDH C31H47N11O18S 893.2822 NA PeJP NA NA +PJ069178 GSCNDMMH C32H51N11O13S3 893.283 NA PeJP NA NA +PJ069179 GGGGGSPPCCC C32H51N11O13S3 893.2831 NA PeJP NA NA +PJ069180 GSPCDDDW C36H47N9O16S 893.2862 NA PeJP NA NA +MJ097076 Coenzyme F430 C41H51N6NiO13 893.286758 NA MeJP NA NA +PJ069181 CCNNMFY C37H51N9O11S3 893.287 NA PeJP NA NA +PJ069182 GPPCCCEW C37H51N9O11S3 893.2871 NA PeJP NA NA +PJ069183 GSNDDEEE C32H47N9O21 893.2887 NA PeJP NA NA +PJ069184 GSSSSTCCY C33H51N9O16S2 893.2895 NA PeJP NA NA +PJ069185 GPNDDDMM C33H51N9O16S2 893.2896 NA PeJP NA NA +PJ069186 GSCCCKMY C34H55N9O11S4 893.2904 NA PeJP NA NA +PJ069187 CDDMHHH C34H47N13O12S2 893.2909 NA PeJP NA NA +PJ069188 SCNNNNND C30H47N13O17S 893.2934 NA PeJP NA NA +PJ069189 GDDMMYY C38H51N7O14S2 893.2936 NA PeJP NA NA +PJ069190 GSCCCEHR C31H51N13O12S3 893.2943 NA PeJP NA NA +PJ069191 PCCMMFY C39H55N7O9S4 893.2944 NA PeJP NA NA +PJ069192 CNNNDEW C35H47N11O15S 893.2974 NA PeJP NA NA +PJ069193 GMMMMMY C36H59N7O9S5 893.2978 NA PeJP NA NA +PJ069194 SCCQMHW C36H51N11O10S3 893.2983 NA PeJP NA NA +PJ069195 GSDDDDDR C31H47N11O20 893.2999 NA PeJP NA NA +PJ069196 GPCCDDER C32H51N11O15S2 893.3008 NA PeJP NA NA +PJ069197 CNQMMMH C33H55N11O10S4 893.3016 NA PeJP NA NA +PJ069198 GGCQMMMH C33H55N11O10S4 893.3017 NA PeJP NA NA +PJ069199 GSCCNHHH C33H47N15O11S2 893.3021 NA PeJP NA NA +PJ069200 PPCCCWW C41H51N9O8S3 893.3023 NA PeJP NA NA +PJ069201 SNDDEEW C36H47N9O18 893.3039 NA PeJP NA NA +PJ069202 GGSDDEEW C36H47N9O18 893.304 NA PeJP NA NA +PJ069203 PCNDEMW C37H51N9O13S2 893.3048 NA PeJP NA NA +PJ069204 SSSSSSSCY C33H51N9O18S 893.3073 NA PeJP NA NA +PJ069205 GDDDFYY C41H47N7O16 893.308 NA PeJP NA NA +PJ069206 SSTCCCKY C34H55N9O13S3 893.3082 NA PeJP NA NA +PJ069207 GPCNDDHH C34H47N13O14S 893.3087 NA PeJP NA NA +PJ069208 CEMYYW C42H51N7O11S2 893.3088 NA PeJP NA NA +PJ069209 SCCCHRW C35H51N13O9S3 893.3095 NA PeJP NA NA +PJ069210 SSDEMYY C38H51N7O16S 893.3113 NA PeJP NA NA +PJ069211 SSSCCDHR C31H51N13O14S2 893.312 NA PeJP NA NA +PJ069212 GGGGGGGGGCQM C31H51N13O14S2 893.3121 NA PeJP NA NA +PJ069213 SPCMMYY C39H55N7O11S3 893.3122 NA PeJP NA NA +PJ069214 GCNNDWW C39H47N11O12S 893.3127 NA PeJP NA NA +PJ069215 CCNMMHR C32H55N13O9S4 893.3129 NA PeJP NA NA +PJ069216 TEEEEEE C34H51N7O21 893.3138 NA PeJP NA NA +PJ069217 PEEEEMM C35H55N7O16S2 893.3147 NA PeJP NA NA +PJ069218 GSSNNDDW C35H47N11O17 893.3152 NA PeJP NA NA +PJ069219 STMMMMY C36H59N7O11S4 893.3156 NA PeJP NA NA +PJ069220 PCCDDRW C36H51N11O12S2 893.316 NA PeJP NA NA +PJ069221 GGGSPCCQW C36H51N11O12S2 893.3161 NA PeJP NA NA +PJ069222 CNDEEER C32H51N11O17S 893.3185 NA PeJP NA NA +PJ069223 NDDDEMR C32H51N11O17S 893.3186 NA PeJP NA NA +PJ069224 GSDDEWW C40H47N9O15 893.3192 NA PeJP NA NA +PJ069225 SPPCCCER C33H55N11O12S3 893.3194 NA PeJP NA NA +PJ069226 GPCDMWW C41H51N9O10S2 893.3201 NA PeJP NA NA +PJ069227 GNEEEMW C37H51N9O15S 893.3226 NA PeJP NA NA +PJ069228 GCCNNNNR C30H51N15O13S2 893.3233 NA PeJP NA NA +PJ069229 GPPTCCMW C38H55N9O10S3 893.3234 NA PeJP NA NA +PJ069230 GAPPPCCCF C38H55N9O10S3 893.3235 NA PeJP NA NA +PJ069231 GSSQEEEE C33H51N9O20 893.3251 NA PeJP NA NA +PJ069232 GSPNEEMM C34H55N9O15S2 893.3259 NA PeJP NA NA +PJ069233 GGGSPEEMM C34H55N9O15S2 893.326 NA PeJP NA NA +PJ069234 NNDEEHH C34H47N13O16 893.3264 NA PeJP NA NA +PJ069235 GPCEYYY C42H51N7O13S 893.3266 NA PeJP NA NA +PJ069236 VDMMMMH C35H59N9O10S4 893.3268 NA PeJP NA NA +PJ069237 CCNDHFR C35H51N13O11S2 893.3273 NA PeJP NA NA +PJ069238 PCCMFFF C43H55N7O8S3 893.3275 NA PeJP NA NA +PJ069239 PDEEEEF C38H51N7O18 893.3291 NA PeJP NA NA +PJ069240 CDDDDRR C31H51N13O16S 893.3298 NA PeJP NA NA +PJ069241 GTEMMYY C39H55N7O13S2 893.33 NA PeJP NA NA +PJ069242 GSTCCMHR C32H55N13O11S3 893.3307 NA PeJP NA NA +PJ069243 GMMMMFF C40H59N7O8S4 893.3308 NA PeJP NA NA +PJ069244 GCNMHFW C40H51N11O9S2 893.3313 NA PeJP NA NA +PJ069245 VEEEEEM C35H55N7O18S 893.3325 NA PeJP NA NA +PJ069246 GDDDMRW C36H51N11O14S 893.3338 NA PeJP NA NA +PJ069247 SDDWWW C44H47N9O12 893.3345 NA PeJP NA NA +PJ069248 SCCKMHW C37H55N11O9S3 893.3347 NA PeJP NA NA +PJ069249 GSSDDEER C32H51N11O19 893.3363 NA PeJP NA NA +PJ069250 GSPCDEMR C33H55N11O14S2 893.3372 NA PeJP NA NA +PJ069251 GSNNNDHH C33H47N15O15 893.3376 NA PeJP NA NA +PJ069252 GGGSNNDHH C33H47N15O15 893.3377 NA PeJP NA NA +PJ069253 NEEMWW C41H51N9O12S 893.3378 NA PeJP NA NA +PJ069254 CNKMMMH C34H59N11O9S4 893.338 NA PeJP NA NA +PJ069255 GPPCCMMR C34H59N11O9S4 893.3381 NA PeJP NA NA +PJ069256 SSQEEEW C37H51N9O17 893.3403 NA PeJP NA NA +PJ069257 SPNEMMW C38H55N9O12S2 893.3412 NA PeJP NA NA +PJ069258 GNDEHHW C38H47N13O13 893.3417 NA PeJP NA NA +PJ069259 PCYYYW C46H51N7O10S 893.3418 NA PeJP NA NA +PJ069260 NDKEEEM C34H55N9O17S 893.3437 NA PeJP NA NA +PJ069261 QEEYYY C42H51N7O15 893.3443 NA PeJP NA NA +PJ069262 PQQEMMM C35H59N9O12S3 893.3446 NA PeJP NA NA +PJ069263 SCNNDRW C35H51N13O13S 893.345 NA PeJP NA NA +PJ069264 GGGGSCDRW C35H51N13O13S 893.3451 NA PeJP NA NA +PJ069265 TMMYYW C43H55N7O10S2 893.3452 NA PeJP NA NA +PJ069266 AMMMHHH C36H55N13O8S3 893.3459 NA PeJP NA NA +PJ069267 SCHHHHH C36H47N17O9S 893.3464 NA PeJP NA NA +PJ069268 SSSNNDDR C31H51N13O18 893.3475 NA PeJP NA NA +PJ069269 GGGGSSSDDR C31H51N13O18 893.3476 NA PeJP NA NA +PJ069270 STTEMYY C39H55N7O15S 893.3477 NA PeJP NA NA +PJ069271 SSSSCMHR C32H55N13O13S2 893.3484 NA PeJP NA NA +PJ069272 GVMMMYY C40H59N7O10S3 893.3486 NA PeJP NA NA +PJ069273 CDERWW C40H51N11O11S 893.3491 NA PeJP NA NA +PJ069274 NNNQEEF C36H51N11O16 893.3515 NA PeJP NA NA +PJ069275 SSDDERW C36H51N11O16 893.3516 NA PeJP NA NA +PJ069276 SPCDMRW C37H55N11O11S2 893.3524 NA PeJP NA NA +PJ069277 GGGGGAAMMW C37H55N11O11S2 893.3525 NA PeJP NA NA +PJ069278 PDDHHHH C37H47N15O12 893.3529 NA PeJP NA NA +PJ069279 GEMWWW C45H51N9O9S 893.3531 NA PeJP NA NA +PJ069280 SNEEEMR C33H55N11O16S 893.3549 NA PeJP NA NA +PJ069281 GGGGGSDKEM C33H55N11O16S 893.355 NA PeJP NA NA +PJ069282 GSTEEWW C41H51N9O14 893.3556 NA PeJP NA NA +PJ069283 PNDMMMR C34H59N11O11S3 893.3558 NA PeJP NA NA +PJ069284 NNNQMHH C34H51N15O12S 893.3563 NA PeJP NA NA +PJ069285 APTCMWW C42H55N9O9S2 893.3564 NA PeJP NA NA +PJ069286 GSPMMWW C42H55N9O9S2 893.3565 NA PeJP NA NA +PJ069287 NDHHWW C42H47N13O10 893.3569 NA PeJP NA NA +PJ069288 SCLQEEW C38H55N9O14S 893.3589 NA PeJP NA NA +PJ069289 GDKEEMW C38H55N9O14S 893.359 NA PeJP NA NA +PJ069290 AEYYYW C46H51N7O12 893.3596 NA PeJP NA NA +PJ069291 GGCCNERR C31H55N15O12S2 893.3597 NA PeJP NA NA +PJ069292 APQMMMW C39H59N9O9S3 893.3598 NA PeJP NA NA +PJ069293 SPCQHHW C39H51N13O10S 893.3603 NA PeJP NA NA +PJ069294 SSSLNEEE C34H55N9O19 893.3614 NA PeJP NA NA +PJ069295 GSSKEEEE C34H55N9O19 893.3615 NA PeJP NA NA +PJ069296 VQQEEMM C35H59N9O14S2 893.3623 NA PeJP NA NA +PJ069297 NNNNQQY C35H51N13O15 893.3628 NA PeJP NA NA +PJ069298 GPTMYYY C43H55N7O12S 893.363 NA PeJP NA NA +PJ069299 TLMMMMH C36H63N9O9S4 893.3632 NA PeJP NA NA +PJ069300 GCNQMRW C36H55N13O10S2 893.3637 NA PeJP NA NA +PJ069301 GCHHFFF C44H51N11O8S 893.3643 NA PeJP NA NA +PJ069302 PVEEEEY C39H55N7O17 893.3655 NA PeJP NA NA +PJ069303 SDDDMRR C32H55N13O15S 893.3662 NA PeJP NA NA +PJ069304 SSLMMYY C40H59N7O12S2 893.3663 NA PeJP NA NA +PJ069305 SSSNQWW C40H51N11O13 893.3668 NA PeJP NA NA +PJ069306 PCCEMRR C33H59N13O10S3 893.367 NA PeJP NA NA +PJ069307 GGAPCCCKR C33H59N13O10S3 893.3671 NA PeJP NA NA +PJ069308 CNNNHHR C33H51N17O11S 893.3675 NA PeJP NA NA +PJ069309 ACCKHFW C41H55N11O8S2 893.3677 NA PeJP NA NA +PJ069310 MWWWW C49H51N9O6S 893.3683 NA PeJP NA NA +PJ069311 GSEEMRW C37H55N11O13S 893.3702 NA PeJP NA NA +PJ069312 STEWWW C45H51N9O11 893.3708 NA PeJP NA NA +PJ069313 APCMMRW C38H59N11O8S3 893.3711 NA PeJP NA NA +PJ069314 GSSTEEER C33H55N11O18 893.3727 NA PeJP NA NA +PJ069315 TQQQQMM C34H59N11O13S2 893.3735 NA PeJP NA NA +PJ069316 AQEEMMR C34H59N11O13S2 893.3736 NA PeJP NA NA +PJ069317 SNDEHHR C34H51N15O14 893.374 NA PeJP NA NA +PJ069318 GGGGGGGTTHH C34H51N15O14 893.3741 NA PeJP NA NA +PJ069319 DKEMWW C42H55N9O11S 893.3742 NA PeJP NA NA +PJ069320 GCCNRRW C35H55N15O9S2 893.3749 NA PeJP NA NA +PJ069321 MHHHFW C43H51N13O7S 893.3756 NA PeJP NA NA +PJ069322 SSKEEEW C38H55N9O16 893.3767 NA PeJP NA NA +PJ069323 GSSCNDRR C31H55N15O14S 893.3774 NA PeJP NA NA +PJ069324 GLQEMMW C39H59N9O11S2 893.3776 NA PeJP NA NA +PJ069325 GTQEHHW C39H51N13O12 893.3781 NA PeJP NA NA +PJ069326 CLFYYW C47H55N7O9S 893.3782 NA PeJP NA NA +PJ069327 TQKEEEM C35H59N9O16S 893.3801 NA PeJP NA NA +PJ069328 KEEYYY C43H55N7O14 893.3807 NA PeJP NA NA +PJ069329 PQKEMMM C36H63N9O11S3 893.3809 NA PeJP NA NA +PJ069330 GAPKEMMM C36H63N9O11S3 893.381 NA PeJP NA NA +PJ069331 SSNNMRW C36H55N13O12S 893.3814 NA PeJP NA NA +PJ069332 GGGGGGAPPMH C36H55N13O12S 893.3815 NA PeJP NA NA +PJ069333 GVMMFFY C44H59N7O9S2 893.3816 NA PeJP NA NA +PJ069334 NNQFWW C44H51N11O10 893.3821 NA PeJP NA NA +PJ069335 SSSSNQER C32H55N13O17 893.3839 NA PeJP NA NA +PJ069336 PLEEEMF C40H59N7O14S 893.3841 NA PeJP NA NA +PJ069337 GDEMMRR C33H59N13O12S2 893.3848 NA PeJP NA NA +PJ069338 SEMRWW C41H55N11O10S 893.3854 NA PeJP NA NA +PJ069339 GGGTCKWW C41H55N11O10S 893.3855 NA PeJP NA NA +PJ069340 GPYWWW C49H51N9O8 893.3861 NA PeJP NA NA +PJ069341 LLEEEMM C37H63N7O14S2 893.3875 NA PeJP NA NA +PJ069342 SSTEERW C37H55N11O15 893.3879 NA PeJP NA NA +PJ069343 GGGSSSKEW C37H55N11O15 893.388 NA PeJP NA NA +PJ069344 AAEMMRW C38H59N11O10S2 893.3888 NA PeJP NA NA +PJ069345 GSDHHRW C38H51N15O11 893.3893 NA PeJP NA NA +PJ069346 SVMWWW C46H55N9O8S 893.3895 NA PeJP NA NA +PJ069347 SDKEEMR C34H59N11O15S 893.3913 NA PeJP NA NA +PJ069348 SSSLEWW C42H55N9O13 893.392 NA PeJP NA NA +PJ069349 PTQMMMR C35H63N11O10S3 893.3922 NA PeJP NA NA +PJ069350 CNQQKHH C35H55N15O11S 893.3926 NA PeJP NA NA +PJ069351 GQEMHHR C35H55N15O11S 893.3927 NA PeJP NA NA +PJ069352 LQMMWW C43H59N9O8S2 893.3928 NA PeJP NA NA +PJ069353 TQHHWW C43H51N13O9 893.3933 NA PeJP NA NA +PJ069354 ATKEEMW C39H59N9O13S 893.3953 NA PeJP NA NA +PJ069355 GGGAPLEMY C39H59N9O13S 893.3954 NA PeJP NA NA +PJ069356 SLYYYW C47H55N7O11 893.396 NA PeJP NA NA +PJ069357 APKMMMW C40H63N9O8S3 893.3962 NA PeJP NA NA +PJ069358 GVQMHHW C40H55N13O9S 893.3967 NA PeJP NA NA +PJ069359 GTTTKEEE C35H59N9O18 893.3978 NA PeJP NA NA +PJ069360 VQKEEMM C36H63N9O13S2 893.3987 NA PeJP NA NA +PJ069361 GSSSSQRW C36H55N13O14 893.3992 NA PeJP NA NA +PJ069362 AALMYYY C44H59N7O11S 893.3994 NA PeJP NA NA +PJ069363 ACCQKRW C37H59N13O9S2 893.4 NA PeJP NA NA +PJ069364 DMMRRW C37H59N13O9S2 893.4001 NA PeJP NA NA +PJ069365 AQQHHHH C37H51N17O10 893.4005 NA PeJP NA NA +PJ069366 PCFRWW C45H55N11O7S 893.4007 NA PeJP NA NA +PJ069367 VLEEEEF C40H59N7O16 893.4019 NA PeJP NA NA +PJ069368 GSSTQQMR C33H59N13O14S 893.4025 NA PeJP NA NA +PJ069369 SSEEMRR C33H59N13O14S 893.4026 NA PeJP NA NA +PJ069370 SSSNKWW C41H55N11O12 893.4032 NA PeJP NA NA +PJ069371 PTCMMRR C34H63N13O9S3 893.4034 NA PeJP NA NA +PJ069372 GCEHHRR C34H55N17O10S 893.4039 NA PeJP NA NA +PJ069373 CLMRWW C42H59N11O7S2 893.4041 NA PeJP NA NA +PJ069374 ATTEMRW C38H59N11O12S 893.4066 NA PeJP NA NA +PJ069375 PDKYWW C46H55N9O10 893.4072 NA PeJP NA NA +PJ069376 SCCNRRR C31H59N17O10S2 893.4073 NA PeJP NA NA +PJ069377 QMHHRW C39H55N15O8S 893.4079 NA PeJP NA NA +PJ069378 SSSSLEER C34H59N11O17 893.4091 NA PeJP NA NA +PJ069379 AKEEMMR C35H63N11O12S2 893.4099 NA PeJP NA NA +PJ069380 GGTLEMMR C35H63N11O12S2 893.41 NA PeJP NA NA +PJ069381 GNNDRRY C35H55N15O13 893.4104 NA PeJP NA NA +PJ069382 GGGGGGGGGPKH C35H55N15O13 893.4105 NA PeJP NA NA +PJ069383 GTTLMWW C43H59N9O10S 893.4106 NA PeJP NA NA +PJ069384 TFFFFW C51H55N7O8 893.4112 NA PeJP NA NA +PJ069385 GNHHHHR C36H51N19O9 893.4118 NA PeJP NA NA +PJ069386 TTTKEEW C39H59N9O15 893.4131 NA PeJP NA NA +PJ069387 GSSSNMRR C32H59N15O13S 893.4138 NA PeJP NA NA +PJ069388 GLKEMMW C40H63N9O10S2 893.414 NA PeJP NA NA +PJ069389 NQQRYW C40H55N13O11 893.4144 NA PeJP NA NA +PJ069390 GGGGAARYW C40H55N13O11 893.4145 NA PeJP NA NA +PJ069391 GVMFFFF C48H59N7O8S 893.4146 NA PeJP NA NA +PJ069392 TKKEEEM C36H63N9O15S 893.4165 NA PeJP NA NA +PJ069393 ATTLYYY C44H59N7O13 893.4171 NA PeJP NA NA +PJ069394 PKKEMMM C37H67N9O10S3 893.4173 NA PeJP NA NA +PJ069395 GGAALLMMM C37H67N9O10S3 893.4174 NA PeJP NA NA +PJ069396 SSCQKRW C37H59N13O11S 893.4178 NA PeJP NA NA +PJ069397 SPRYWW C45H55N11O9 893.4185 NA PeJP NA NA +PJ069398 CHHRRW C38H55N17O7S 893.4192 NA PeJP NA NA +PJ069399 SSSSNKER C33H59N13O16 893.4203 NA PeJP NA NA +PJ069400 PLLEEMY C41H63N7O13S 893.4205 NA PeJP NA NA +PJ069401 ATEMMRR C34H63N13O11S2 893.4212 NA PeJP NA NA +PJ069402 SSDHHRR C34H55N17O12 893.4217 NA PeJP NA NA +PJ069403 GSCKKWW C42H59N11O9S 893.4218 NA PeJP NA NA +PJ069404 GLFWWW C50H55N9O7 893.4225 NA PeJP NA NA +PJ069405 TTTTERW C38H59N11O14 893.4243 NA PeJP NA NA +PJ069406 GGGGGGLKEY C38H59N11O14 893.4244 NA PeJP NA NA +PJ069407 GTLMMRW C39H63N11O9S2 893.4252 NA PeJP NA NA +PJ069408 GTTHHRW C39H55N15O10 893.4257 NA PeJP NA NA +PJ069409 PKMFWW C47H59N9O7S 893.4259 NA PeJP NA NA +PJ069410 TTKEEMR C35H63N11O14S 893.4277 NA PeJP NA NA +PJ069411 STTTLWW C43H59N9O12 893.4283 NA PeJP NA NA +PJ069412 APTKEYW C43H59N9O12 893.4284 NA PeJP NA NA +PJ069413 PTKMMMR C36H67N11O9S3 893.4286 NA PeJP NA NA +PJ069414 GNNMFRR C36H59N15O10S 893.429 NA PeJP NA NA +PJ069415 GGGNMFRR C36H59N15O10S 893.4291 NA PeJP NA NA +PJ069416 LKMMWW C44H63N9O7S2 893.4292 NA PeJP NA NA +PJ069417 TKHHWW C44H55N13O8 893.4297 NA PeJP NA NA +PJ069418 SSSSSQRR C32H59N15O15 893.4315 NA PeJP NA NA +PJ069419 STLKEMW C40H63N9O12S 893.4317 NA PeJP NA NA +PJ069420 AALFFYY C48H59N7O10 893.4324 NA PeJP NA NA +PJ069421 APPMHRW C41H59N13O8S 893.4331 NA PeJP NA NA +PJ069422 SSTTLKEE C36H63N9O17 893.4342 NA PeJP NA NA +PJ069423 VKKEEMM C37H67N9O12S2 893.4351 NA PeJP NA NA +MJ097077 Cinodine I C37H59N13O13 893.435529 NA MeJP NA NA +PJ069424 GSSSSKRW C37H59N13O13 893.4356 NA PeJP NA NA +PJ069425 ACCKKRW C38H63N13O8S2 893.4364 NA PeJP NA NA +PJ069426 PPNHHHR C38H55N17O9 893.4369 NA PeJP NA NA +PJ069427 VLLEEEY C41H63N7O15 893.4383 NA PeJP NA NA +PJ069428 TTTEMRR C34H63N13O13S 893.4389 NA PeJP NA NA +PJ069429 LQERYW C42H59N11O11 893.4396 NA PeJP NA NA +PJ069430 GLMMMRR C35H67N13O8S3 893.4398 NA PeJP NA NA +PJ069431 GTMHHRR C35H59N17O9S 893.4403 NA PeJP NA NA +PJ069432 STTLMRW C39H63N11O11S 893.4429 NA PeJP NA NA +PJ069433 GGSTKKMW C39H63N11O11S 893.443 NA PeJP NA NA +PJ069434 VLQYWW C47H59N9O9 893.4436 NA PeJP NA NA +PJ069435 KMHHRW C40H59N15O7S 893.4443 NA PeJP NA NA +PJ069436 SSSSSSPKK C35H63N11O16 893.4454 NA PeJP NA NA +PJ069437 SSTTTLER C35H63N11O16 893.4455 NA PeJP NA NA +PJ069438 SLKEMMR C36H67N11O11S2 893.4463 NA PeJP NA NA +PJ069439 DERRRY C36H59N15O12 893.4468 NA PeJP NA NA +PJ069440 GPLKMYW C44H63N9O9S 893.447 NA PeJP NA NA +PJ069441 SSSTTLLW C40H63N9O14 893.4495 NA PeJP NA NA +PJ069442 GSSTCKRR C33H63N15O12S 893.4502 NA PeJP NA NA +PJ069443 SVLKMMW C41H67N9O9S2 893.4503 NA PeJP NA NA +PJ069444 TCLLKMW C41H67N9O9S2 893.4504 NA PeJP NA NA +PJ069445 VDRRYW C41H59N13O10 893.4508 NA PeJP NA NA +2816 PEP inhibitor GVQVETISPGDGRTFPK 893.4514 MH2+ Inhouse_peptide NA peptide +PJ069446 SSSLLKEM C37H67N9O14S 893.4528 NA PeJP NA NA +PJ069447 ATTTLKEM C37H67N9O14S 893.4529 NA PeJP NA NA +PJ069448 PPLLEYY C45H63N7O12 893.4535 NA PeJP NA NA +PJ069449 LLQKMMM C38H71N9O9S3 893.4537 NA PeJP NA NA +PJ069450 SSCKKRW C38H63N13O10S 893.4542 NA PeJP NA NA +PJ069451 ALRYWW C46H59N11O8 893.4548 NA PeJP NA NA +PJ069452 GPVLHWW C46H59N11O8 893.4549 NA PeJP NA NA +PJ069453 SSSSDKKR C34H63N13O15 893.4567 NA PeJP NA NA +PJ069454 LLLEEMF C42H67N7O12S 893.4569 NA PeJP NA NA +PJ069455 STLMMRR C35H67N13O10S2 893.4576 NA PeJP NA NA +PJ069456 STTHHRR C35H59N17O11 893.458 NA PeJP NA NA +PJ069457 GGGGPTHRR C35H59N17O11 893.4581 NA PeJP NA NA +PJ069458 AALMFRW C43H63N11O8S 893.4582 NA PeJP NA NA +PJ069459 GSSTTKKW C39H63N11O13 893.4607 NA PeJP NA NA +PJ069460 ACKKKMW C40H67N11O8S2 893.4616 NA PeJP NA NA +PJ069461 GPNKHRW C40H59N15O9 893.4621 NA PeJP NA NA +PJ069462 SSSTLLMR C36H67N11O13S 893.4641 NA PeJP NA NA +PJ069463 GVLKEYW C44H63N9O11 893.4647 NA PeJP NA NA +PJ069464 APPPVVEW C44H63N9O11 893.4648 NA PeJP NA NA +PJ069465 VVKMMMR C37H71N11O8S3 893.465 NA PeJP NA NA +PJ069466 EMFRRR C37H63N15O9S 893.4654 NA PeJP NA NA +PJ069467 PLHRWW C45H59N13O7 893.4661 NA PeJP NA NA +PJ069468 SSSSSKRR C33H63N15O14 893.4679 NA PeJP NA NA +PJ069469 PVKKEMY C41H67N9O11S 893.4681 NA PeJP NA NA +PJ069470 TCCKKRR C34H67N15O9S2 893.4688 NA PeJP NA NA +PJ069471 VMFRRW C42H63N13O7S 893.4695 NA PeJP NA NA +PJ069472 TTTTTLKE C37H67N9O16 893.4706 NA PeJP NA NA +PJ069473 GTTLLKMM C38H71N9O11S2 893.4715 NA PeJP NA NA +PJ069474 ASLERRY C38H63N13O12 893.4719 NA PeJP NA NA +PJ069475 GTLERRY C38H63N13O12 893.472 NA PeJP NA NA +PJ069476 AAHHFRR C39H59N17O8 893.4733 NA PeJP NA NA +PJ069477 GSSTKKMR C35H67N13O12S 893.4753 NA PeJP NA NA +PJ069478 LKERYW C43H63N11O10 893.476 NA PeJP NA NA +PJ069479 SSKKKMW C40H67N11O10S 893.4793 NA PeJP NA NA +PJ069480 GAALLMRY C40H67N11O10S 893.4794 NA PeJP NA NA +PJ069481 VLKYWW C48H63N9O8 893.48 NA PeJP NA NA +PJ069482 TTTTTTLR C36H67N11O15 893.4818 NA PeJP NA NA +PJ069483 TQKKKMM C37H71N11O10S2 893.4827 NA PeJP NA NA +PJ069484 GSQKRRY C37H63N15O11 893.4832 NA PeJP NA NA +PJ069485 GLLKMFW C45H67N9O8S 893.4834 NA PeJP NA NA +PJ069486 VVKKEEY C41H67N9O13 893.4859 NA PeJP NA NA +PJ069487 PLKKMMF C42H71N9O8S2 893.4867 NA PeJP NA NA +PJ069488 TLRRYW C42H63N13O9 893.4872 NA PeJP NA NA +PJ069489 STTTLLKM C38H71N9O13S 893.4892 NA PeJP NA NA +MJ097078 Kahalalide A C46H67N7O11 893.489856 NA MeJP NA NA +PJ069490 PLLLEFY C46H67N7O11 893.4899 NA PeJP NA NA +PJ069491 LLKKMMM C39H75N9O8S3 893.4901 NA PeJP NA NA +PJ069492 GVLMRRY C39H67N13O9S 893.4906 NA PeJP NA NA +PJ069493 SSSTTKKR C35H67N13O14 893.4931 NA PeJP NA NA +PJ069494 LLLLEMY C43H71N7O11S 893.4933 NA PeJP NA NA +PJ069495 TCKKKMR C36H71N13O9S2 893.494 NA PeJP NA NA +PJ069496 SPNKHRR C36H63N17O10 893.4944 NA PeJP NA NA +PJ069497 SVLKERY C40H67N11O12 893.4971 NA PeJP NA NA +PJ069498 PFRRRY C41H63N15O8 893.4984 NA PeJP NA NA +PJ069499 GLKHHFR C41H63N15O8 893.4985 NA PeJP NA NA +PJ069500 GTTTKKKM C37H71N11O12S 893.5005 NA PeJP NA NA +PJ069501 ATLLKYW C45H67N9O10 893.5011 NA PeJP NA NA +PJ069502 LMRRRY C38H67N15O8S 893.5018 NA PeJP NA NA +PJ069503 VLLQKMY C42H71N9O10S 893.5045 NA PeJP NA NA +PJ069504 AAQHRRR C35H63N19O9 893.5057 NA PeJP NA NA +PJ069505 SSLLRRY C39H67N13O11 893.5083 NA PeJP NA NA +PJ069506 GGLLLEHR C39H67N13O11 893.5084 NA PeJP NA NA +PJ069507 AAKKKYW C44H67N11O9 893.5124 NA PeJP NA NA +PJ069508 ALLKMRY C41H71N11O9S 893.5157 NA PeJP NA NA +PJ069509 NHRRRR C34H63N21O8 893.5169 NA PeJP NA NA +PJ069510 STTTTKKK C37H71N11O14 893.5182 NA PeJP NA NA +PJ069511 TKKKKMM C38H75N11O9S2 893.5191 NA PeJP NA NA +PJ069512 GSKKRRY C38H67N15O10 893.5196 NA PeJP NA NA +PJ069513 TLLKKEY C42H71N9O12 893.5222 NA PeJP NA NA +PJ069514 GSTLLLKY C42H71N9O12 893.5223 NA PeJP NA NA +PJ069515 GLLLHRW C43H67N13O8 893.5236 NA PeJP NA NA +PJ069516 PLLLLYY C47H71N7O10 893.5263 NA PeJP NA NA +PJ069517 GKKKMFR C40H71N13O8S 893.527 NA PeJP NA NA +PJ069518 PPVNRRR C37H67N17O9 893.5308 NA PeJP NA NA +PJ069519 TTLLKRY C41H71N11O11 893.5335 NA PeJP NA NA +PJ069520 LFFRRR C42H67N15O7 893.5348 NA PeJP NA NA +PJ069521 GPPVLLLW C46H71N9O9 893.5375 NA PeJP NA NA +PJ069522 VLLKKMY C43H75N9O9S 893.5409 NA PeJP NA NA +PJ069523 AAKHRRR C36H67N19O8 893.542 NA PeJP NA NA +PJ069524 GPPRRRR C36H67N19O8 893.5421 NA PeJP NA NA +3230 bombolitin V from venom of bumble bee (Megabombus INVLGILGLLGKALSHLG 893.54395 MH2+ Inhouse_peptide NA peptide +PJ069525 ATKKKRY C40H71N13O10 893.5447 NA PeJP NA NA +PJ069526 ALLKFFR C45H71N11O8 893.5487 NA PeJP NA NA +PJ069527 PPLLLRW C45H71N11O8 893.5488 NA PeJP NA NA +PJ069528 CLKKKKF C42H75N11O8S 893.5521 NA PeJP NA NA +PJ069529 SLLLHRR C39H71N15O9 893.556 NA PeJP NA NA +PJ069530 PPTLLLLQ C43H75N9O11 893.5586 NA PeJP NA NA +PJ069531 PPVVLLKE C43H75N9O11 893.5587 NA PeJP NA NA +PJ069532 LLLLLFY C48H75N7O9 893.5627 NA PeJP NA NA +PJ069533 GLKKHRR C38H71N17O8 893.5672 NA PeJP NA NA +PJ069534 SLKKKKY C42H75N11O10 893.5699 NA PeJP NA NA +PJ069535 VLLKKFF C47H75N9O8 893.5739 NA PeJP NA NA +PJ069536 GPPVLKKR C41H75N13O9 893.5811 NA PeJP NA NA +PJ069537 VVKKKHR C40H75N15O8 893.5923 NA PeJP NA NA +PJ069538 PPLKKRR C40H75N15O8 893.5924 NA PeJP NA NA +PJ069539 PPTLLLLK C44H79N9O10 893.595 NA PeJP NA NA +PJ069540 GPLLLLLR C43H79N11O9 893.6063 NA PeJP NA NA +EUR1018 PC 40:6 [M-H+acetate]- C48H84NO8P 893.614557 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1018 PC 40:6 [M-H+acetate]- C48H84NO8P 893.614557 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1018 PC 40:6 [M-H+acetate]- C48H84NO8P 893.614557 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1018 PC 40:6 [M-H+acetate]- C48H84NO8P 893.614557 masses lipides attendues Inhousejuil11 NA NA +PJ069541 LLKKKKH C42H79N13O8 893.6175 NA PeJP NA NA +PJ069542 PVVLLLLK C45H83N9O9 893.6314 NA PeJP NA NA +EUR1143 SM(d18:1/26:5) [M-H+acetate]- C49H90N2O6P 893.674751 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1143 SM(d18:1/26:5) [M-H+acetate]- C49H90N2O6P 893.674751 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1143 SM(d18:1/26:5) [M-H+acetate]- C49H90N2O6P 893.674751 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1143 SM(d18:1/26:5) [M-H+acetate]- C49H90N2O6P 893.674751 masses lipides attendues Inhousejuil11 NA NA +HMDB08389 PC(20:3(5Z,8Z,11Z)/24:1(15Z)) C52H96NO8P 893.687378 NA HMDB2010 NA NA +HMDB08421 PC(20:3(8Z,11Z,14Z)/24:1(15Z)) C52H96NO8P 893.687378 NA HMDB2010 NA NA +HMDB08453 PC(20:4(5Z,8Z,11Z,14Z)/24:0) C52H96NO8P 893.687378 NA HMDB2010 NA NA +HMDB08486 PC(20:4(8Z,11Z,14Z,17Z)/24:0) C52H96NO8P 893.687378 NA HMDB2010 NA NA +HMDB08548 PC(22:0/22:4(7Z,10Z,13Z,16Z)) C52H96NO8P 893.687378 NA HMDB2010 NA NA +HMDB08612 PC(22:2(13Z,16Z)/22:2(13Z,16Z)) C52H96NO8P 893.687378 NA HMDB2010 NA NA +HMDB08643 PC(22:4(7Z,10Z,13Z,16Z)/22:0) C52H96NO8P 893.687378 NA HMDB2010 NA NA +HMDB08772 PC(24:0/20:4(5Z,8Z,11Z,14Z)) C52H96NO8P 893.687378 NA HMDB2010 NA NA +HMDB08773 PC(24:0/20:4(8Z,11Z,14Z,17Z)) C52H96NO8P 893.687378 NA HMDB2010 NA NA +HMDB08803 PC(24:1(15Z)/20:3(5Z,8Z,11Z)) C52H96NO8P 893.687378 NA HMDB2010 NA NA +HMDB08804 PC(24:1(15Z)/20:3(8Z,11Z,14Z)) C52H96NO8P 893.687378 NA HMDB2010 NA NA +PJ069543 CCCCCDDM C28H46N8O13S6 894.1509 NA PeJP NA NA +PJ069544 GSCCCCCCN C27H46N10O12S6 894.1621 NA PeJP NA NA +C03357 4-Acetamidobutanoyl-CoA C27H45N8O18P3S 894.1785 NA KEGG NA NA +MetaCyc04263 4-acetamidobutanoyl-coA [] C27H45N8O18P3S1 894.178537 NA metacyc NA NA +PJ069545 SCCCCDMM C29H50N8O12S6 894.1873 NA PeJP NA NA +PJ069546 GCCCCDEY C32H46N8O14S4 894.2017 NA PeJP NA NA +PJ069547 ACCCCMMM C30H54N8O9S7 894.2059 NA PeJP NA NA +PJ069548 SCCCCCHH C30H46N12O10S5 894.2064 NA PeJP NA NA +PJ069549 PCCCCDDH C31H46N10O13S4 894.2129 NA PeJP NA NA +PJ069550 CCCCDYW C36H46N8O11S4 894.2169 NA PeJP NA NA +PJ069551 SSCCCDDY C32H46N8O16S3 894.2194 NA PeJP NA NA +PJ069552 PTCCCCCY C33H50N8O11S5 894.2203 NA PeJP NA NA +PJ069553 SSCCCMMM C30H54N8O11S6 894.2237 NA PeJP NA NA +PJ069554 GCCDDDMH C31H46N10O15S3 894.2307 NA PeJP NA NA +PJ069555 CCCCMFW C37H50N8O8S5 894.2356 NA PeJP NA NA +PJ069556 GDDDDDDE C31H42N8O23 894.2363 NA PeJP NA NA +PJ069557 GSCCCEMY C33H50N8O13S4 894.2381 NA PeJP NA NA +PJ069558 SCCCNNDH C30H46N12O14S3 894.2419 NA PeJP NA NA +PJ069559 CCCDEHW C35H46N10O12S3 894.2459 NA PeJP NA NA +PJ069560 SSCCDDEH C31H46N10O17S2 894.2484 NA PeJP NA NA +PJ069561 SPCCCDMH C32H50N10O12S4 894.2493 NA PeJP NA NA +PJ069562 DDDDDDW C35H42N8O20 894.2516 NA PeJP NA NA +PJ069563 CCNDDYY C36H46N8O15S2 894.2524 NA PeJP NA NA +PJ069564 SCCCMYW C37H50N8O10S4 894.2533 NA PeJP NA NA +PJ069565 SPCDDDDE C32H46N8O20S 894.255 NA PeJP NA NA +PJ069566 SSSCCDMY C33H50N8O15S3 894.2558 NA PeJP NA NA +PJ069567 CCNMMMY C34H54N8O10S5 894.2567 NA PeJP NA NA +PJ069568 GCCCNQMH C31H50N12O11S4 894.2605 NA PeJP NA NA +PJ069569 GNNDDDDM C31H46N10O19S 894.2662 NA PeJP NA NA +PJ069570 GSCDDMMH C32H50N10O14S3 894.2671 NA PeJP NA NA +PJ069571 APCCCMMH C33H54N10O9S5 894.2679 NA PeJP NA NA +PJ069572 GSPCCCYY C37H50N8O12S3 894.2711 NA PeJP NA NA +PJ069573 GCCCCNHR C30H50N14O10S4 894.2718 NA PeJP NA NA +PJ069574 GSDDDEEE C32H46N8O22 894.2727 NA PeJP NA NA +PJ069575 GPDDDDMM C33H50N8O17S2 894.2736 NA PeJP NA NA +PJ069576 GSTCCMMY C34H54N8O12S4 894.2744 NA PeJP NA NA +PJ069577 SCNNNNDD C30H46N12O18S 894.2774 NA PeJP NA NA +PJ069578 SSCCNNMH C31H50N12O13S3 894.2783 NA PeJP NA NA +PJ069579 CNNDDEW C35H46N10O16S 894.2814 NA PeJP NA NA +PJ069580 GGGACDDDW C35H46N10O16S 894.2815 NA PeJP NA NA +PJ069581 SCCEMHW C36H50N10O11S3 894.2823 NA PeJP NA NA +PJ069582 SSNNDDDE C31H46N10O21 894.2839 NA PeJP NA NA +PJ069583 GGGGSSDDDE C31H46N10O21 894.284 NA PeJP NA NA +PJ069584 SSSCDEMH C32H50N10O16S2 894.2848 NA PeJP NA NA +PJ069585 CNEMMMH C33H54N10O11S4 894.2857 NA PeJP NA NA +PJ069586 GSCCDHHH C33H46N14O12S2 894.2862 NA PeJP NA NA +PJ069587 ACCCFYW C41H50N8O9S3 894.2863 NA PeJP NA NA +PJ069588 SDDDEEW C36H46N8O19 894.288 NA PeJP NA NA +PJ069589 PCDDEMW C37H50N8O14S2 894.2888 NA PeJP NA NA +PJ069590 CCNMMFF C38H54N8O9S4 894.2897 NA PeJP NA NA +PJ069591 NDEEEEM C33H50N8O19S 894.2913 NA PeJP NA NA +PJ069592 SSSSCMMY C34H54N8O14S3 894.2922 NA PeJP NA NA +PJ069593 GPCDDDHH C34H46N12O15S 894.2927 NA PeJP NA NA +MJ097079 Mangicrocin C45H50O19 894.294629 NA MeJP NA NA +PJ069594 GSSSSCCQH C31H50N12O15S2 894.296 NA PeJP NA NA +PJ069595 GGGGGCNNEM C31H50N12O15S2 894.2961 NA PeJP NA NA +PJ069596 GCNDDWW C39H46N10O13S 894.2967 NA PeJP NA NA +PJ069597 CCDMMHR C32H54N12O10S4 894.2969 NA PeJP NA NA +PJ069598 PCCCHFW C40H50N10O8S3 894.2976 NA PeJP NA NA +PJ069599 GSSNDDDW C35H46N10O18 894.2992 NA PeJP NA NA +PJ069600 GSPCCNEW C36H50N10O13S2 894.3001 NA PeJP NA NA +MJ097080 2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 6-Me ether, 8-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C38H54O24 894.300502 NA MeJP NA NA +PJ069601 GCMMMHW C37H54N10O8S4 894.3009 NA PeJP NA NA +PJ069602 DDDDEMR C32H50N10O18S 894.3026 NA PeJP NA NA +PJ069603 GSSDMMMH C33H54N10O13S3 894.3034 NA PeJP NA NA +PJ069604 GGGGGPCEMM C33H54N10O13S3 894.3035 NA PeJP NA NA +PJ069605 GTCCYYW C41H50N8O11S2 894.3041 NA PeJP NA NA +PJ069606 CCQMHHH C34H50N14O9S3 894.3048 NA PeJP NA NA +PJ069607 GDEEEMW C37H50N8O16S 894.3066 NA PeJP NA NA +PJ069608 GCCNNNDR C30H50N14O14S2 894.3073 NA PeJP NA NA +PJ069609 GCQMMYY C38H54N8O11S3 894.3074 NA PeJP NA NA +PJ069610 GGACMMYY C38H54N8O11S3 894.3075 NA PeJP NA NA +PJ069611 GSSEEEEE C33H50N8O21 894.3091 NA PeJP NA NA +PJ069612 GSPDEEMM C34H54N8O16S2 894.31 NA PeJP NA NA +PJ069613 NDDEEHH C34H46N12O17 894.3104 NA PeJP NA NA +PJ069614 GPPCEMMM C35H58N8O11S4 894.3108 NA PeJP NA NA +PJ069615 CNNNNMW C35H50N12O12S2 894.3113 NA PeJP NA NA +PJ069616 GSCNDDER C31H50N12O17S 894.3138 NA PeJP NA NA +MJ097081 Chlororaphin C52H38N12O4 894.313897 NA MeJP NA NA +PJ069617 GPCCNDMR C32H54N12O12S3 894.3147 NA PeJP NA NA +PJ069618 SPCCNWW C40H50N10O10S2 894.3153 NA PeJP NA NA +MJ097082 Trioxacarcin A; 14,17-Deepoxy, 14,17-dihydroxy C42H54O21 894.315758 NA MeJP NA NA +PJ069619 CCCHHHR C33H50N16O8S3 894.316 NA PeJP NA NA +MJ097083 Precorrin 3B C43H50N4O17 894.317096 NA MeJP NA NA +MetaCyc04264 precorrin-3B [] C43H50N4O17 894.317096 NA metacyc NA NA +C06406 Precorrin 3B C43H50N4O17 894.3171 NA KEGG NA NA +PJ069620 SNNDEMW C36H50N10O15S 894.3178 NA PeJP NA NA +PJ069621 STCMMHW C37H54N10O10S3 894.3187 NA PeJP NA NA +PJ069622 SSSNNEEE C32H50N10O20 894.3203 NA PeJP NA NA +PJ069623 SSSSEMMH C33H54N10O15S2 894.3212 NA PeJP NA NA +PJ069624 GSNNDDHH C33H46N14O16 894.3217 NA PeJP NA NA +PJ069625 DEEMWW C41H50N8O13S 894.3218 NA PeJP NA NA +PJ069626 SQMMMMH C34H58N10O10S4 894.322 NA PeJP NA NA +PJ069627 TNMMMMH C34H58N10O10S4 894.3221 NA PeJP NA NA +PJ069628 GSSCMHHH C34H50N14O11S2 894.3225 NA PeJP NA NA +PJ069629 GGGGAPCCHH C34H50N14O11S2 894.3226 NA PeJP NA NA +PJ069630 SSEEEEW C37H50N8O18 894.3243 NA PeJP NA NA +PJ069631 GGPDEEEY C37H50N8O18 894.3244 NA PeJP NA NA +PJ069632 SPDEMMW C38H54N8O13S2 894.3252 NA PeJP NA NA +PJ069633 GDDEHHW C38H46N12O14 894.3257 NA PeJP NA NA +PJ069634 PPCMMMW C39H58N8O8S4 894.3261 NA PeJP NA NA +PJ069635 TQEEEEM C34H54N8O18S 894.3277 NA PeJP NA NA +PJ069636 EEEYYY C42H50N6O16 894.3284 NA PeJP NA NA +PJ069637 PQEEMMM C35H58N8O13S3 894.3286 NA PeJP NA NA +PJ069638 SCNDDRW C35H50N12O14S 894.329 NA PeJP NA NA +PJ069639 GGSCDDRW C35H50N12O14S 894.3291 NA PeJP NA NA +PJ069640 PCCCQRW C36H54N12O9S3 894.3299 NA PeJP NA NA +PJ069641 GSSSSNNNE C31H50N12O19 894.3315 NA PeJP NA NA +PJ069642 SSSNDDDR C31H50N12O19 894.3316 NA PeJP NA NA +PJ069643 NNDDMMR C32H54N12O14S2 894.3324 NA PeJP NA NA +PJ069644 GGGGGGGGGTMM C32H54N12O14S2 894.3325 NA PeJP NA NA +PJ069645 GSNDMWW C40H50N10O12S 894.3331 NA PeJP NA NA +PJ069646 SCMMMHR C33H58N12O9S4 894.3333 NA PeJP NA NA +PJ069647 GSSSNEEW C36H50N10O17 894.3356 NA PeJP NA NA +PJ069648 GNQEMMW C37H54N10O12S2 894.3364 NA PeJP NA NA +PJ069649 GGGQEMMW C37H54N10O12S2 894.3365 NA PeJP NA NA +PJ069650 CNFYYW C45H50N8O10S 894.3371 NA PeJP NA NA +PJ069651 SDEEEMR C33H54N10O17S 894.3389 NA PeJP NA NA +PJ069652 TDDEEMR C33H54N10O17S 894.339 NA PeJP NA NA +PJ069653 GPDEEYW C41H50N8O15 894.3396 NA PeJP NA NA +PJ069654 PDDMMMR C34H58N10O12S3 894.3398 NA PeJP NA NA +PJ069655 SSSTCHHH C34H50N14O13S 894.3403 NA PeJP NA NA +PJ069656 PPCDMFW C42H54N8O10S2 894.3405 NA PeJP NA NA +PJ069657 DDHHWW C42H46N12O11 894.3409 NA PeJP NA NA +PJ069658 CCKMHHH C35H54N14O8S3 894.3412 NA PeJP NA NA +PJ069659 ATEEEMW C38H54N8O15S 894.343 NA PeJP NA NA +PJ069660 CCNDERR C31H54N14O13S2 894.3437 NA PeJP NA NA +PJ069661 APEMMMW C39H58N8O10S3 894.3438 NA PeJP NA NA +PJ069662 SPCEHHW C39H50N12O11S 894.3443 NA PeJP NA NA +PJ069663 GTTTEEEE C34H54N8O20 894.3455 NA PeJP NA NA +MJ097084 Herpepentol C50H54O15 894.346271 NA MeJP NA NA +PJ069664 VQEEEMM C35H58N8O15S2 894.3463 NA PeJP NA NA +PJ069665 GGLEEEMM C35H58N8O15S2 894.3464 NA PeJP NA NA +PJ069666 SSSSNNNW C35H50N12O16 894.3468 NA PeJP NA NA +PJ069667 GPPTMMMM C36H62N8O10S4 894.3472 NA PeJP NA NA +PJ069668 GCNEMRW C36H54N12O11S2 894.3477 NA PeJP NA NA +PJ069669 SCQWWW C44H50N10O9S 894.3483 NA PeJP NA NA +PJ069670 GSSNDEMR C32H54N12O16S 894.3502 NA PeJP NA NA +PJ069671 SSSNEWW C40H50N10O14 894.3508 NA PeJP NA NA +PJ069672 GGGGGEEFW C40H50N10O14 894.3509 NA PeJP NA NA +PJ069673 GSPCNMMR C33H58N12O11S3 894.3511 NA PeJP NA NA +PJ069674 CNNDHHR C33H50N16O12S 894.3515 NA PeJP NA NA +PJ069675 NQMMWW C41H54N10O9S2 894.3517 NA PeJP NA NA +MJ097085 Precorrin 6X C44H54N4O16 894.353481 NA MeJP NA NA +MetaCyc04265 precorrin-6x [precorrin-6A;] C44H54N4O16 894.353482 NA metacyc NA NA +C06320 Precorrin 6X C44H54N4O16 894.3535 NA KEGG NA NA +PJ069676 SSQQEMW C37H54N10O14S 894.3542 NA PeJP NA NA +PJ069677 SNYYYW C45H50N8O12 894.3548 NA PeJP NA NA +PJ069678 PDEYWW C45H50N8O12 894.3549 NA PeJP NA NA +PJ069679 PCCQKMW C38H58N10O9S3 894.3551 NA PeJP NA NA +PJ069680 GNNMHHW C38H50N14O10S 894.3555 NA PeJP NA NA +PJ069681 GGGNMHHW C38H50N14O10S 894.3556 NA PeJP NA NA +PJ069682 SSSNDKEE C33H54N10O19 894.3567 NA PeJP NA NA +PJ069683 AEEEMMR C34H58N10O14S2 894.3576 NA PeJP NA NA +PJ069684 SDDEHHR C34H50N14O15 894.358 NA PeJP NA NA +PJ069685 TDDDHHR C34H50N14O15 894.3581 NA PeJP NA NA +PJ069686 SPPDMYW C42H54N8O12S 894.3582 NA PeJP NA NA +PJ069687 SKMMMMH C35H62N10O9S4 894.3584 NA PeJP NA NA +PJ069688 GCCDRRW C35H54N14O10S2 894.3589 NA PeJP NA NA +PJ069689 TTTEEEW C38H54N8O17 894.3607 NA PeJP NA NA +PJ069690 GSSCDDRR C31H54N14O15S 894.3614 NA PeJP NA NA +PJ069691 GLEEMMW C39H58N8O12S2 894.3616 NA PeJP NA NA +PJ069692 GNNNQYW C39H50N12O13 894.3621 NA PeJP NA NA +PJ069693 GPTCCCRR C32H58N14O10S3 894.3623 NA PeJP NA NA +PJ069694 CNMRWW C40H54N12O8S2 894.3629 NA PeJP NA NA +PJ069695 TKEEEEM C35H58N8O17S 894.3641 NA PeJP NA NA +PJ069696 PKEEMMM C36H62N8O12S3 894.365 NA PeJP NA NA +PJ069697 SSNDMRW C36H54N12O13S 894.3654 NA PeJP NA NA +PJ069698 GGGGGSSCKW C36H54N12O13S 894.3655 NA PeJP NA NA +PJ069699 GSSSWWW C44H50N10O11 894.3661 NA PeJP NA NA +PJ069700 PCCCKRW C37H58N12O8S3 894.3663 NA PeJP NA NA +PJ069701 PCQHHHH C37H50N16O9S 894.3668 NA PeJP NA NA +PJ069702 SSSSNEER C32H54N12O18 894.3679 NA PeJP NA NA +PJ069703 GGGGGSSSSDK C32H54N12O18 894.368 NA PeJP NA NA +PJ069704 SNQEMMR C33H58N12O13S2 894.3688 NA PeJP NA NA +PJ069705 CQRYYY C41H54N10O11S 894.3694 NA PeJP NA NA +PJ069706 GSTQMWW C41H54N10O11S 894.3695 NA PeJP NA NA +PJ069707 ASSSTQEW C37H54N10O16 894.3719 NA PeJP NA NA +PJ069708 GSSSDKEW C37H54N10O16 894.372 NA PeJP NA NA +PJ069709 GNKEMMW C38H58N10O11S2 894.3728 NA PeJP NA NA +PJ069710 GGGGAAPMMF C38H58N10O11S2 894.3729 NA PeJP NA NA +PJ069711 SSNQHHW C38H50N14O12 894.3733 NA PeJP NA NA +PJ069712 PEMFWW C46H54N8O9S 894.3735 NA PeJP NA NA +PJ069713 TTEEEMR C34H58N10O16S 894.3753 NA PeJP NA NA +PJ069714 APTEEYW C42H54N8O14 894.376 NA PeJP NA NA +PJ069715 PTEMMMR C35H62N10O11S3 894.3762 NA PeJP NA NA +PJ069716 CNNNQFR C35H54N14O12S 894.3767 NA PeJP NA NA +PJ069717 APPMMYW C43H58N8O9S2 894.3768 NA PeJP NA NA +PJ069718 LEMMWW C43H58N8O9S2 894.3769 NA PeJP NA NA +PJ069719 TEHHWW C43H50N12O10 894.3773 NA PeJP NA NA +PJ069720 GSSSSSNNR C31H54N14O17 894.3792 NA PeJP NA NA +PJ069721 SSPPCLEY C39H58N8O14S 894.3793 NA PeJP NA NA +PJ069722 STLEEMW C39H58N8O14S 894.3794 NA PeJP NA NA +PJ069723 SCNEMRR C32H58N14O12S2 894.38 NA PeJP NA NA +PJ069724 GGSCEMRR C32H58N14O12S2 894.3801 NA PeJP NA NA +PJ069725 SPLMMMW C40H62N8O9S3 894.3802 NA PeJP NA NA +PJ069726 GSTCRWW C40H54N12O10S 894.3807 NA PeJP NA NA +PJ069727 GNFWWW C48H50N10O8 894.3813 NA PeJP NA NA +PJ069728 GGGFWWW C48H50N10O8 894.3814 NA PeJP NA NA +PJ069729 STTTLDEE C35H58N8O19 894.3818 NA PeJP NA NA +PJ069730 SSTTLEEE C35H58N8O19 894.3819 NA PeJP NA NA +PJ069731 VKEEEMM C36H62N8O14S2 894.3827 NA PeJP NA NA +PJ069732 GSSSSERW C36H54N12O15 894.3832 NA PeJP NA NA +PJ069733 AAPLMMMM C37H66N8O9S4 894.3836 NA PeJP NA NA +PJ069734 GSQMMRW C37H58N12O10S2 894.3841 NA PeJP NA NA +PJ069735 AQEHHHH C37H50N16O11 894.3845 NA PeJP NA NA +PJ069736 GAAEHHHH C37H50N16O11 894.3846 NA PeJP NA NA +PJ069737 SCKWWW C45H54N10O8S 894.3847 NA PeJP NA NA +PJ069738 GSSTQEMR C33H58N12O15S 894.3866 NA PeJP NA NA +PJ069739 SSSDKWW C41H54N10O13 894.3872 NA PeJP NA NA +PJ069740 AQQMMMR C34H62N12O10S3 894.3874 NA PeJP NA NA +PJ069741 GGGGVMMMR C34H62N12O10S3 894.3875 NA PeJP NA NA +PJ069742 SNNMHHR C34H54N16O11S 894.3879 NA PeJP NA NA +PJ069743 NKMMWW C42H58N10O8S2 894.3881 NA PeJP NA NA +PJ069744 GNHHHFF C42H50N14O9 894.3886 NA PeJP NA NA +PJ069745 SSQKEMW C38H58N10O13S 894.3906 NA PeJP NA NA +PJ069746 VEEFWW C46H54N8O11 894.3912 NA PeJP NA NA +PJ069747 SCCDRRR C31H58N16O11S2 894.3913 NA PeJP NA NA +PJ069748 PCCKKMW C39H62N10O8S3 894.3915 NA PeJP NA NA +PJ069749 EMHHRW C39H54N14O9S 894.3919 NA PeJP NA NA +PJ069750 SSSTQKEE C34H58N10O18 894.3931 NA PeJP NA NA +PJ069751 TQQKEMM C35H62N10O13S2 894.3939 NA PeJP NA NA +PJ069752 SLEEMMR C35H62N10O13S2 894.394 NA PeJP NA NA +PJ069753 GNDDRRY C35H54N14O14 894.3944 NA PeJP NA NA +PJ069754 GGGGGGGGTRY C35H54N14O14 894.3945 NA PeJP NA NA +PJ069755 GPLEMYW C43H58N8O11S 894.3946 NA PeJP NA NA +PJ069756 PVMMMMR C36H66N10O8S4 894.3948 NA PeJP NA NA +PJ069757 GSCMRRW C36H58N14O9S2 894.3953 NA PeJP NA NA +PJ069758 GDHHHHR C36H50N18O10 894.3958 NA PeJP NA NA +PJ069759 VMHHWW C44H54N12O7S 894.396 NA PeJP NA NA +PJ069760 PTKEEEY C39H58N8O16 894.3971 NA PeJP NA NA +PJ069761 GSSSDMRR C32H58N14O14S 894.3978 NA PeJP NA NA +PJ069762 SVLEMMW C40H62N8O11S2 894.398 NA PeJP NA NA +PJ069763 SSSSRWW C40H54N12O12 894.3984 NA PeJP NA NA +PJ069764 GGQERYW C40H54N12O12 894.3985 NA PeJP NA NA +PJ069765 GNMMMRR C33H62N14O9S3 894.3987 NA PeJP NA NA +PJ069766 AAHHHHW C41H50N16O8 894.3998 NA PeJP NA NA +PJ069767 SSSLLEEM C36H62N8O16S 894.4005 NA PeJP NA NA +PJ069768 LLQEMMM C37H66N8O11S3 894.4013 NA PeJP NA NA +PJ069769 GALLEMMM C37H66N8O11S3 894.4014 NA PeJP NA NA +PJ069770 SSTQMRW C37H58N12O12S 894.4018 NA PeJP NA NA +PJ069771 GGGGGGGAKMF C37H58N12O12S 894.4019 NA PeJP NA NA +PJ069772 VNQYWW C45H54N10O10 894.4025 NA PeJP NA NA +PJ069773 PCKHHHH C38H54N16O8S 894.4032 NA PeJP NA NA +PJ069774 SSSSDKER C33H58N12O17 894.4043 NA PeJP NA NA +PJ069775 SNKEMMR C34H62N12O12S2 894.4052 NA PeJP NA NA +PJ069776 GSSSQHHR C34H54N16O13 894.4057 NA PeJP NA NA +PJ069777 GSTKMWW C42H58N10O10S 894.4058 NA PeJP NA NA +PJ069778 GGGPKMYW C42H58N10O10S 894.4059 NA PeJP NA NA +PJ069779 PPFYWW C50H54N8O8 894.4065 NA PeJP NA NA +PJ069780 GSSTTKEW C38H58N10O15 894.4083 NA PeJP NA NA +PJ069781 GLEEERY C38H58N10O15 894.4084 NA PeJP NA NA +PJ069782 GDKKMMW C39H62N10O10S2 894.4092 NA PeJP NA NA +PJ069783 GPNEHRW C39H54N14O11 894.4097 NA PeJP NA NA +PJ069784 PLMYWW C47H58N8O8S 894.4099 NA PeJP NA NA +PJ069785 GSSKKEEM C35H62N10O15S 894.4117 NA PeJP NA NA +PJ069786 GVLEEYW C43H58N8O13 894.4124 NA PeJP NA NA +PJ069787 VVEMMMR C36H66N10O10S3 894.4126 NA PeJP NA NA +PJ069788 SSTCRRW C36H58N14O11S 894.413 NA PeJP NA NA +PJ069789 SPCNRRY C36H58N14O11S 894.4131 NA PeJP NA NA +PJ069790 APLMMFW C44H62N8O8S2 894.4132 NA PeJP NA NA +PJ069791 GQRYWW C44H54N12O9 894.4137 NA PeJP NA NA +PJ069792 SSSSSERR C32H58N14O16 894.4156 NA PeJP NA NA +PJ069793 PVKEEMY C40H62N8O13S 894.4157 NA PeJP NA NA +PJ069794 GGLLEEMF C40H62N8O13S 894.4158 NA PeJP NA NA +PJ069795 SSQMMRR C33H62N14O11S2 894.4164 NA PeJP NA NA +PJ069796 ALLMMMW C41H66N8O8S3 894.4166 NA PeJP NA NA +PJ069797 QQMFRW C41H58N12O9S 894.4171 NA PeJP NA NA +PJ069798 TTTTTLEE C36H62N8O18 894.4182 NA PeJP NA NA +PJ069799 GTTLLEMM C37H66N8O13S2 894.4191 NA PeJP NA NA +PJ069800 GSSTTTRW C37H58N12O14 894.4196 NA PeJP NA NA +PJ069801 ATCKMRW C38H62N12O9S2 894.4204 NA PeJP NA NA +PJ069802 GSKMMRW C38H62N12O9S2 894.4205 NA PeJP NA NA +PJ069803 GNQHHFR C38H54N16O10 894.4209 NA PeJP NA NA +PJ069804 KMHFFW C46H58N10O7S 894.4211 NA PeJP NA NA +PJ069805 SSSSLQMR C34H62N12O14S 894.4229 NA PeJP NA NA +PJ069806 GSSTKEMR C34H62N12O14S 894.423 NA PeJP NA NA +PJ069807 SSTTKWW C42H58N10O12 894.4236 NA PeJP NA NA +PJ069808 AQKMMMR C35H66N12O9S3 894.4238 NA PeJP NA NA +PJ069809 SCQKHHR C35H58N16O10S 894.4243 NA PeJP NA NA +PJ069810 PNHRWW C43H54N14O8 894.4249 NA PeJP NA NA +PJ069811 GGPHRWW C43H54N14O8 894.425 NA PeJP NA NA +PJ069812 SSKKEMW C39H62N10O12S 894.427 NA PeJP NA NA +PJ069813 VLEYWW C47H58N8O10 894.4276 NA PeJP NA NA +PJ069814 SSCMRRR C32H62N16O10S2 894.4277 NA PeJP NA NA +PJ069815 CQFRRW C40H58N14O8S 894.4283 NA PeJP NA NA +PJ069816 SSSTKKEE C35H62N10O17 894.4295 NA PeJP NA NA +PJ069817 TQKKEMM C36H66N10O12S2 894.4303 NA PeJP NA NA +PJ069818 GATKKEMM C36H66N10O12S2 894.4304 NA PeJP NA NA +PJ069819 GSQERRY C36H58N14O13 894.4308 NA PeJP NA NA +PJ069820 GGGGGGGGGLLH C36H58N14O13 894.4309 NA PeJP NA NA +PJ069821 SPVLMYW C44H62N8O10S 894.431 NA PeJP NA NA +PJ069822 ALMMHHR C37H62N14O8S2 894.4317 NA PeJP NA NA +PJ069823 ATHHHHR C37H54N18O9 894.4322 NA PeJP NA NA +PJ069824 VVKEEEY C40H62N8O15 894.4335 NA PeJP NA NA +PJ069825 GSSTTMRR C33H62N14O13S 894.4342 NA PeJP NA NA +PJ069826 TTLLMMW C41H66N8O10S2 894.4344 NA PeJP NA NA +PJ069827 NKERYW C41H58N12O11 894.4348 NA PeJP NA NA +PJ069828 GGPPPERW C41H58N12O11 894.4349 NA PeJP NA NA +PJ069829 ACKMMRR C34H66N14O8S3 894.4351 NA PeJP NA NA +PJ069830 STTTLLEM C37H66N8O15S 894.4369 NA PeJP NA NA +PJ069831 LLKEMMM C38H70N8O10S3 894.4377 NA PeJP NA NA +PJ069832 SSTKMRW C38H62N12O11S 894.4382 NA PeJP NA NA +PJ069833 VNKYWW C46H58N10O9 894.4389 NA PeJP NA NA +PJ069834 SSSTTKER C34H62N12O16 894.4407 NA PeJP NA NA +PJ069835 SDKKMMR C35H66N12O11S2 894.4416 NA PeJP NA NA +PJ069836 SPNEHRR C35H58N16O12 894.442 NA PeJP NA NA +PJ069837 GGSPEHRR C35H58N16O12 894.4421 NA PeJP NA NA +PJ069838 APCKKYW C43H62N10O9S 894.4422 NA PeJP NA NA +PJ069839 PLFFWW C51H58N8O7 894.4429 NA PeJP NA NA +PJ069840 SSSSTLKW C39H62N10O14 894.4447 NA PeJP NA NA +PJ069841 GGAASPPPLE C39H62N10O14 894.4448 NA PeJP NA NA +PJ069842 ATKKMMW C40H66N10O9S2 894.4456 NA PeJP NA NA +PJ069843 SQRRYW C40H58N14O10 894.4461 NA PeJP NA NA +PJ069844 LLMFWW C48H62N8O7S 894.4463 NA PeJP NA NA +PJ069845 GTTTKKEM C36H66N10O14S 894.4481 NA PeJP NA NA +PJ069846 ATLLEYW C44H62N8O12 894.4487 NA PeJP NA NA +PJ069847 VVVTEYW C44H62N8O12 894.4488 NA PeJP NA NA +PJ069848 TLLMMMR C37H70N10O9S3 894.449 NA PeJP NA NA +PJ069849 AAQMRRY C37H62N14O10S 894.4494 NA PeJP NA NA +PJ069850 GGGVMRRY C37H62N14O10S 894.4495 NA PeJP NA NA +PJ069851 GKRYWW C45H58N12O8 894.4501 NA PeJP NA NA +PJ069852 SSSTTTRR C33H62N14O15 894.4519 NA PeJP NA NA +PJ069853 VLLQEMY C41H66N8O12S 894.4521 NA PeJP NA NA +PJ069854 SSKMMRR C34H66N14O10S2 894.4528 NA PeJP NA NA +PJ069855 GNQQHRR C34H58N18O11 894.4533 NA PeJP NA NA +PJ069856 QKMFRW C42H62N12O8S 894.4535 NA PeJP NA NA +PJ069857 SSTLLLMM C38H70N8O12S2 894.4555 NA PeJP NA NA +PJ069858 GDKKERY C38H62N12O13 894.456 NA PeJP NA NA +PJ069859 VLKMMHH C39H66N12O8S2 894.4568 NA PeJP NA NA +PJ069860 GSPHRRW C39H58N16O9 894.4573 NA PeJP NA NA +PJ069861 SSSSLKMR C35H66N12O13S 894.4593 NA PeJP NA NA +PJ069862 AAKKEYW C43H62N10O11 894.46 NA PeJP NA NA +PJ069863 AKKMMMR C36H70N12O8S3 894.4602 NA PeJP NA NA +PJ069864 NMRRRY C36H62N16O9S 894.4607 NA PeJP NA NA +MJ097086 Bryostatin 4 C46H70O17 894.4613 NA MeJP NA NA +MJ097087 Eupteleogenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-xylorpyranoside] C46H70O17 894.4613 NA MeJP NA NA +MJ097088 Eupteleogenin; Glycoside C46H70O17 894.4613 NA MeJP NA NA +PJ069865 LHHFRW C44H58N14O7 894.4613 NA PeJP NA NA +PJ069866 TTTKKMW C40H66N10O11S 894.4634 NA PeJP NA NA +PJ069867 GPLLFYW C48H62N8O9 894.464 NA PeJP NA NA +PJ069868 CKFRRW C41H62N14O7S 894.4647 NA PeJP NA NA +PJ069869 STTTTKKE C36H66N10O16 894.4658 NA PeJP NA NA +PJ069870 TTTTTDKK C36H66N10O16 894.4659 NA PeJP NA NA +PJ069871 TKKKEMM C37H70N10O11S2 894.4667 NA PeJP NA NA +PJ069872 GSKERRY C37H62N14O12 894.4672 NA PeJP NA NA +PJ069873 GLLLMYW C45H66N8O9S 894.4674 NA PeJP NA NA +PJ069874 TLLKEEY C41H66N8O14 894.4699 NA PeJP NA NA +PJ069875 PLLKMMY C42H70N8O9S2 894.4708 NA PeJP NA NA +PJ069876 DKKRYW C42H62N12O10 894.4712 NA PeJP NA NA +PJ069877 APCHRRR C35H62N18O8S 894.4719 NA PeJP NA NA +PJ069878 GLQKMRY C39H66N12O10S 894.4746 NA PeJP NA NA +PJ069879 TKKFWW C47H62N10O8 894.4752 NA PeJP NA NA +PJ069880 PPVLHFW C47H62N10O8 894.4753 NA PeJP NA NA +MJ097089 Brevetoxin B C50H70O14 894.476556 NA MeJP NA NA +C16857 Brevetoxin B C50H70O14 894.4766 NA KEGG NA NA +PJ069881 STTTTTKR C35H66N12O15 894.4771 NA PeJP NA NA +PJ069882 TTKKMMR C36H70N12O10S2 894.478 NA PeJP NA NA +PJ069883 GSTRRRY C36H62N16O11 894.4784 NA PeJP NA NA +PJ069884 GGALEHRR C36H62N16O11 894.4785 NA PeJP NA NA +PJ069885 GVKKMFW C44H66N10O8S 894.4786 NA PeJP NA NA +PJ069886 TTLLERY C40H66N10O13 894.4811 NA PeJP NA NA +PJ069887 VVLMMFR C41H70N10O8S2 894.482 NA PeJP NA NA +PJ069888 SKRRYW C41H62N14O9 894.4825 NA PeJP NA NA +PJ069889 SSTTLKKM C37H70N10O13S 894.4845 NA PeJP NA NA +PJ069890 STLLLYW C45H66N8O11 894.4851 NA PeJP NA NA +PJ069891 GGLLLEFF C45H66N8O11 894.4852 NA PeJP NA NA +PJ069892 VKKKMMM C38H74N10O8S3 894.4854 NA PeJP NA NA +PJ069893 AAKMRRY C38H66N14O9S 894.4858 NA PeJP NA NA +PJ069894 VLLKEMY C42H70N8O11S 894.4885 NA PeJP NA NA +PJ069895 AAEHRRR C35H62N18O10 894.4897 NA PeJP NA NA +PJ069896 KKMFRW C43H66N12O7S 894.4899 NA PeJP NA NA +PJ069897 ATKKERY C39H66N12O12 894.4923 NA PeJP NA NA +PJ069898 GGTTLKRY C39H66N12O12 894.4924 NA PeJP NA NA +PJ069899 LQHRRW C40H62N16O8 894.4937 NA PeJP NA NA +PJ069900 SSSCKKKK C36H70N12O12S 894.4957 NA PeJP NA NA +PJ069901 GTLKKYW C44H66N10O10 894.4964 NA PeJP NA NA +PJ069902 APKMHRR C37H66N16O8S 894.4971 NA PeJP NA NA +MJ097090 12-Oleanene-3,16,22,28-tetrol, 16-Tigloyl, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-glucuronopyranoside] C47H74O16 894.497686 NA MeJP NA NA +MJ097091 12-Oleanene-3,16,22,28-tetrol, 22-Tigloyl, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-glucuronopyranoside] C47H74O16 894.497686 NA MeJP NA NA +MJ097092 12-Oleanene-3,16,22,28-tetrol, 28-Tigloyl, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-glucuronopyranoside] C47H74O16 894.497686 NA MeJP NA NA +PJ069903 SLLLMRY C41H70N10O10S 894.4997 NA PeJP NA NA +PJ069904 GGVLKKMY C41H70N10O10S 894.4998 NA PeJP NA NA +PJ069905 GLLLFFW C49H66N8O8 894.5004 NA PeJP NA NA +PJ069906 DHRRRR C34H62N20O9 894.5009 NA PeJP NA NA +MJ097093 Cephalostatin 6 C53H70N2O10 894.503046 NA MeJP NA NA +PJ069907 ATTKRRY C38H66N14O11 894.5036 NA PeJP NA NA +PJ069908 PLLKMFF C46H70N8O8S 894.5038 NA PeJP NA NA +PJ069909 SSSLLLLY C42H70N8O13 894.5063 NA PeJP NA NA +PJ069910 LLLKMMF C43H74N8O8S2 894.5071 NA PeJP NA NA +PJ069911 PPVLQRW C43H66N12O9 894.5076 NA PeJP NA NA +PJ069912 GLKKMRY C40H70N12O9S 894.511 NA PeJP NA NA +PJ069913 PPVDRRR C37H66N16O10 894.5148 NA PeJP NA NA +PJ069914 SLKKKEY C41H70N10O12 894.5175 NA PeJP NA NA +PJ069915 APPLRRW C42H66N14O8 894.5188 NA PeJP NA NA +PJ069916 GVLKHRW C42H66N14O8 894.5189 NA PeJP NA NA +PJ069917 PVLLKYY C46H70N8O10 894.5215 NA PeJP NA NA +PJ069918 PVKKMHR C39H70N14O8S 894.5222 NA PeJP NA NA +PJ069919 GTLHRRR C36H66N18O9 894.5261 NA PeJP NA NA +PJ069920 STLKKRY C40H70N12O11 894.5287 NA PeJP NA NA +PJ069921 GPPVLKER C40H70N12O11 894.5288 NA PeJP NA NA +PJ069922 LKHRRW C41H66N16O7 894.5301 NA PeJP NA NA +PJ069923 TLLLLHW C45H70N10O9 894.5328 NA PeJP NA NA +PJ069924 VVKKKMY C42H74N10O9S 894.5361 NA PeJP NA NA +PJ069925 PPLKERR C39H70N14O10 894.54 NA PeJP NA NA +PJ069926 PPTLLLLE C43H74N8O12 894.5427 NA PeJP NA NA +PJ069927 PPVLKRW C44H70N12O8 894.544 NA PeJP NA NA +PJ069928 LLLLMHR C41H74N12O8S 894.5474 NA PeJP NA NA +PJ069929 PPTLRRR C38H70N16O9 894.5512 NA PeJP NA NA +PJ069930 SSLLLLLH C42H74N10O11 894.5539 NA PeJP NA NA +PJ069931 VLLLKFY C47H74N8O9 894.5579 NA PeJP NA NA +PJ069932 PPVLLLLM C44H78N8O9S 894.5613 NA PeJP NA NA +PJ069933 APPTLLKR C41H74N12O10 894.5651 NA PeJP NA NA +PJ069934 VVKKKFF C46H74N10O8 894.5691 NA PeJP NA NA +PJ069935 PLLLQRR C40H74N14O9 894.5764 NA PeJP NA NA +PJ069936 PVVLLLLE C44H78N8O11 894.5791 NA PeJP NA NA +MJ097094 Wikstrotoxin A; 12?-Acetoxy, 20-hexadecanoyl C53H82O11 894.585713 NA MeJP NA NA +PJ069937 PVVLRRR C39H74N16O8 894.5876 NA PeJP NA NA +PJ069938 SPPLLLKK C43H78N10O10 894.5903 NA PeJP NA NA +PJ069939 GPVLLLKR C42H78N12O9 894.6015 NA PeJP NA NA +PJ069940 PLLLKRR C41H78N14O8 894.6127 NA PeJP NA NA +PJ069941 VKKKKKH C41H78N14O8 894.6128 NA PeJP NA NA +PJ069942 PTLLLLLL C45H82N8O10 894.6154 NA PeJP NA NA +PJ069943 APLLLLKK C44H82N10O9 894.6267 NA PeJP NA NA +MJ097095 Chlorobactene; 1',2'-Dihydro, 1'-hydroxy, O-(6-dodecanoyl-?-D-glucopyranoside) C58H86O7 894.637355 NA MeJP NA NA +PJ069944 VVLLLLLL C46H86N8O9 894.6518 NA PeJP NA NA +MJ097096 1,2-Diphytanylglycerol 3-phosphoinositol; D-myo-inositol-form C49H99O11P 894.6925 NA MeJP NA NA +MJ097097 1,2-Diphytanylglycerol 3-phosphoinositol; L-myo-inositol-form C49H99O11P 894.6925 NA MeJP NA NA +MJ097098 Archaeol; 1-O-(3-O-Phospho-?-D-glucopyranoside) C49H99O11P 894.6925 NA MeJP NA NA +PJ069945 GSCCCCCCD C27H45N9O13S6 895.1462 NA PeJP NA NA +HMDB04047 Adipoyl-CoA C27H44N7O19P3S 895.162537 NA HMDB2010 NA NA +HMDB04047 Adipoyl-CoA C27H44N7O19P3S 895.16254 http://www.hmdb.ca/metabolites/HMDB04047 HMDB NA NA +HMDB04047 Adipoyl-CoA C27H44N7O19P3S 895.16254 HMDB04047 PFEM_hmdb_metabocards_official NA NA +MetaCyc04266 3-hydroxy-5- oxohexanoyl-CoA [] C27H44N7O19P3S1 895.162552 NA metacyc NA NA +C14143 Adipyl-CoA C27H44N7O19P3S 895.1626 NA KEGG NA NA +C16273 3-Hydroxy-5-oxohexanoyl-CoA C27H44N7O19P3S 895.1626 NA KEGG NA NA +PJ069946 CCCCCCQM C28H49N9O10S7 895.1648 NA PeJP NA NA +PJ069947 CCCCCCCR C27H49N11O9S7 895.176 NA PeJP NA NA +PJ069948 GSSCCCCCM C28H49N9O12S6 895.1825 NA PeJP NA NA +PJ069949 SSSTCCCCC C28H49N9O14S5 895.2003 NA PeJP NA NA +PJ069950 CCCCCCKM C29H53N9O9S7 895.2012 NA PeJP NA NA +PJ069951 GCCCCNMY C32H49N9O11S5 895.2155 NA PeJP NA NA +PJ069952 GGGCCCCMY C32H49N9O11S5 895.2156 NA PeJP NA NA +MetaCyc04267 γ-butyrobetainyl-CoA [γ-butyrobetaine-CoA;] C28H50N8O17P3S1 895.222747 NA metacyc NA NA +PJ069953 SCCCNDDH C30H45N11O15S3 895.2259 NA PeJP NA NA +PJ069954 PCCCCCQH C31H49N11O10S5 895.2268 NA PeJP NA NA +PJ069955 PCCNDDDD C31H45N9O18S2 895.2324 NA PeJP NA NA +PJ069956 GGPCCDDDD C31H45N9O18S2 895.2325 NA PeJP NA NA +PJ069957 SSCCCCQY C32H49N9O13S4 895.2333 NA PeJP NA NA +PJ069958 CCDDDYY C36H45N7O16S2 895.2365 NA PeJP NA NA +PJ069959 CCDMMMY C34H53N7O11S5 895.2407 NA PeJP NA NA +PJ069960 GCCCNEMH C31H49N11O12S4 895.2445 NA PeJP NA NA +PJ069961 GGGCCCEMH C31H49N11O12S4 895.2446 NA PeJP NA NA +PJ069962 GCCCCNFF C36H49N9O10S4 895.2486 NA PeJP NA NA +PJ069963 GNDDDDDM C31H45N9O20S 895.2502 NA PeJP NA NA +PJ069964 GSSSSCCCY C32H49N9O15S3 895.2511 NA PeJP NA NA +PJ069965 ACCCCCKY C33H53N9O10S5 895.2519 NA PeJP NA NA +PJ069966 CCDDMFY C37H49N7O13S3 895.2551 NA PeJP NA NA +PJ069967 GCCCCDHR C30H49N13O11S4 895.2558 NA PeJP NA NA +PJ069968 CCMMMMF C35H57N7O8S6 895.2593 NA PeJP NA NA +PJ069969 CCCNMHW C35H49N11O9S4 895.2598 NA PeJP NA NA +PJ069970 SCNNNDDD C30H45N11O19S 895.2614 NA PeJP NA NA +PJ069971 GGGGGGSCDDD C30H45N11O19S 895.2615 NA PeJP NA NA +PJ069972 SSCCNDMH C31H49N11O14S3 895.2623 NA PeJP NA NA +PJ069973 PCCCCCKH C32H53N11O9S5 895.2632 NA PeJP NA NA +PJ069974 CNDDDEW C35H45N9O17S 895.2655 NA PeJP NA NA +PJ069975 CCCNQYY C36H49N9O12S3 895.2663 NA PeJP NA NA +PJ069976 SSNDDDDE C31H45N9O22 895.268 NA PeJP NA NA +PJ069977 SPCNDDDM C32H49N9O17S2 895.2688 NA PeJP NA NA +PJ069978 SSCCCCKY C33H53N9O12S4 895.2697 NA PeJP NA NA +PJ069979 SCDDMYY C37H49N7O15S2 895.2728 NA PeJP NA NA +PJ069980 CCDMMFF C38H53N7O10S4 895.2737 NA PeJP NA NA +PJ069981 DDEEEEM C33H49N7O20S 895.2753 NA PeJP NA NA +PJ069982 SCMMMMY C35H57N7O10S5 895.2771 NA PeJP NA NA +PJ069983 GSTCCCHW C35H49N11O11S3 895.2776 NA PeJP NA NA +PJ069984 GSSSSCCEH C31H49N11O16S2 895.2801 NA PeJP NA NA +PJ069985 GCDDDWW C39H45N9O14S 895.2807 NA PeJP NA NA +PJ069986 PPCCCCDR C32H53N11O11S4 895.2809 NA PeJP NA NA +PJ069987 GSSDDDDW C35H45N9O19 895.2832 NA PeJP NA NA +PJ069988 GSPCCDEW C36H49N9O14S2 895.2841 NA PeJP NA NA +PJ069989 GPPCCCMW C37H53N9O9S4 895.285 NA PeJP NA NA +PJ069990 GSNDDEEM C32H49N9O19S 895.2866 NA PeJP NA NA +PJ069991 ASSPPCCCE C33H53N9O14S3 895.2874 NA PeJP NA NA +PJ069992 GPCNDEMM C33H53N9O14S3 895.2875 NA PeJP NA NA +PJ069993 CCDDFFF C41H49N7O12S2 895.2881 NA PeJP NA NA +PJ069994 CCEMHHH C34H49N13O10S3 895.2888 NA PeJP NA NA +PJ069995 GCCNNDDR C30H49N13O15S2 895.2913 NA PeJP NA NA +PJ069996 GCEMMYY C38H53N7O12S3 895.2915 NA PeJP NA NA +PJ069997 GSCCCMHR C31H53N13O10S4 895.2922 NA PeJP NA NA +PJ069998 CCCHHFF C39H49N11O8S3 895.2928 NA PeJP NA NA +PJ069999 DDDEEHH C34H45N11O18 895.2944 NA PeJP NA NA +PJ070000 SSSSCCHW C35H49N11O13S2 895.2953 NA PeJP NA NA +PJ070001 GSCDDDER C31H49N11O18S 895.2978 NA PeJP NA NA +PJ070002 GPCCDDMR C32H53N11O13S3 895.2987 NA PeJP NA NA +PJ070003 SPCCDWW C40H49N9O11S2 895.2993 NA PeJP NA NA +C12480 Coumermycin D C43H49N3O18 895.3011 NA KEGG NA NA +PJ070004 SNDDEMW C36H49N9O16S 895.3018 NA PeJP NA NA +PJ070005 GGGPCDDEF C36H49N9O16S 895.3019 NA PeJP NA NA +PJ070006 PCNDMMW C37H53N9O11S3 895.3027 NA PeJP NA NA +PJ070007 SSSNDEEE C32H49N9O21 895.3043 NA PeJP NA NA +PJ070008 NNEEEMM C33H53N9O16S2 895.3052 NA PeJP NA NA +PJ070009 GSNDDDHH C33H45N13O17 895.3057 NA PeJP NA NA +PJ070010 ACDDFYY C41H49N7O14S 895.3058 NA PeJP NA NA +PJ070011 GCDEFYY C41H49N7O14S 895.3059 NA PeJP NA NA +PJ070012 SEMMMMH C34H57N9O11S4 895.3061 NA PeJP NA NA +PJ070013 APCCNDHH C34H49N13O12S2 895.3065 NA PeJP NA NA +PJ070014 GPCCNEHH C34H49N13O12S2 895.3066 NA PeJP NA NA +PJ070015 CMMYYW C42H53N7O9S3 895.3067 NA PeJP NA NA +PJ070016 PDDEEEY C37H49N7O19 895.3084 NA PeJP NA NA +PJ070017 GSSSCNNNN C30H49N13O17S 895.309 NA PeJP NA NA +PJ070018 GGGGGSSSCNN C30H49N13O17S 895.3091 NA PeJP NA NA +PJ070019 SSDMMYY C38H53N7O14S2 895.3092 NA PeJP NA NA +PJ070020 SSTCCCHR C31H53N13O12S3 895.3099 NA PeJP NA NA +PJ070021 ACMMMFY C39H57N7O9S4 895.3101 NA PeJP NA NA +PJ070022 GCCNQWW C39H49N11O10S2 895.3106 NA PeJP NA NA +PJ070023 TEEEEEM C34H53N7O19S 895.3117 NA PeJP NA NA +PJ070024 PEEEMMM C35H57N7O14S3 895.3126 NA PeJP NA NA +PJ070025 SCDDDRW C35H49N11O15S 895.3131 NA PeJP NA NA +PJ070026 PCCCERW C36H53N11O10S3 895.3139 NA PeJP NA NA +PJ070027 GGGGCMMHF C36H53N11O10S3 895.314 NA PeJP NA NA +PJ070028 SSSDDDDR C31H49N11O20 895.3156 NA PeJP NA NA +PJ070029 NDDDMMR C32H53N11O15S2 895.3164 NA PeJP NA NA +PJ070030 GGDDDMMR C32H53N11O15S2 895.3165 NA PeJP NA NA +PJ070031 GSDDMWW C40H49N9O13S 895.3171 NA PeJP NA NA +PJ070032 SPPCCCMR C33H57N11O10S4 895.3173 NA PeJP NA NA +PJ070033 APCCMWW C41H53N9O8S3 895.318 NA PeJP NA NA +PJ070034 GSSSDEEW C36H49N9O18 895.3196 NA PeJP NA NA +PJ070035 GNEEMMW C37H53N9O13S2 895.3205 NA PeJP NA NA +PJ070036 CDFYYW C45H49N7O11S 895.3211 NA PeJP NA NA +PJ070037 PCMMMHF C38H57N9O8S4 895.3213 NA PeJP NA NA +PJ070038 PCCNHHW C38H49N13O9S2 895.3218 NA PeJP NA NA +PJ070039 GSSQEEEM C33H53N9O18S 895.323 NA PeJP NA NA +PJ070040 GSDEYYY C41H49N7O16 895.3236 NA PeJP NA NA +PJ070041 GSPNEMMM C34H57N9O13S3 895.3238 NA PeJP NA NA +PJ070042 GCNNNNNF C34H49N13O14S 895.3243 NA PeJP NA NA +PJ070043 GPCMYYY C42H53N7O11S2 895.3245 NA PeJP NA NA +PJ070044 CLMMMMH C35H61N9O8S5 895.3247 NA PeJP NA NA +PJ070045 CCCQHFR C35H53N13O9S3 895.3252 NA PeJP NA NA +PJ070046 PDEEEMF C38H53N7O16S 895.327 NA PeJP NA NA +PJ070047 CCDDERR C31H53N13O14S2 895.3277 NA PeJP NA NA +PJ070048 GTMMMYY C39H57N7O11S3 895.3278 NA PeJP NA NA +PJ070049 SSCNNWW C39H49N11O12S 895.3283 NA PeJP NA NA +PJ070050 VEEEEMM C35H57N7O16S2 895.3304 NA PeJP NA NA +PJ070051 SSSSNNDW C35H49N11O17 895.3308 NA PeJP NA NA +PJ070052 GGGGGGGGEEY C35H49N11O17 895.3309 NA PeJP NA NA +PJ070053 GCDEMRW C36H53N11O12S2 895.3317 NA PeJP NA NA +PJ070054 SCEWWW C44H49N9O10S 895.3323 NA PeJP NA NA +PJ070055 GSSDDEMR C32H53N11O17S 895.3342 NA PeJP NA NA +PJ070056 SSSDEWW C40H49N9O15 895.3348 NA PeJP NA NA +PJ070057 GGSPDDYW C40H49N9O15 895.3349 NA PeJP NA NA +PJ070058 GSPCDMMR C33H57N11O12S3 895.3351 NA PeJP NA NA +PJ070059 CNDDHHR C33H49N15O13S 895.3355 NA PeJP NA NA +PJ070060 GGCDDHHR C33H49N15O13S 895.3356 NA PeJP NA NA +PJ070061 NEMMWW C41H53N9O10S2 895.3357 NA PeJP NA NA +PJ070062 SSQEEMW C37H53N9O15S 895.3382 NA PeJP NA NA +PJ070063 SDYYYW C45H49N7O13 895.3389 NA PeJP NA NA +PJ070064 SPNMMMW C38H57N9O10S3 895.3391 NA PeJP NA NA +PJ070065 GNDMHHW C38H49N13O11S 895.3396 NA PeJP NA NA +PJ070066 CMFFYW C46H53N7O8S2 895.3397 NA PeJP NA NA +PJ070067 SSSTQEEE C33H53N9O20 895.3407 NA PeJP NA NA +MJ097099 Taxol?; 7-Epimer, 2'-Ac C49H53NO15 895.34152 NA MeJP NA NA +PJ070068 NDKEEMM C34H57N9O15S2 895.3416 NA PeJP NA NA +PJ070069 GSNNNNNY C34H49N13O16 895.342 NA PeJP NA NA +PJ070070 GGGSNNNNY C34H49N13O16 895.3421 NA PeJP NA NA +PJ070071 QEMYYY C42H53N7O13S 895.3422 NA PeJP NA NA +PJ070072 PQQMMMM C35H61N9O10S4 895.3425 NA PeJP NA NA +PJ070073 SCCNQRW C35H53N13O11S2 895.3429 NA PeJP NA NA +PJ070074 ACMMFFF C43H57N7O8S3 895.3431 NA PeJP NA NA +PJ070075 PTEEEEY C38H53N7O18 895.3447 NA PeJP NA NA +PJ070076 VDEEEEF C38H53N7O18 895.3448 NA PeJP NA NA +PJ070077 SSSCNNER C31H53N13O16S 895.3454 NA PeJP NA NA +PJ070078 STTMMYY C39H57N7O13S2 895.3456 NA PeJP NA NA +PJ070079 GNNNEYW C39H49N11O14 895.3461 NA PeJP NA NA +PJ070080 CNNQMMR C32H57N13O11S3 895.3463 NA PeJP NA NA +PJ070081 GCCNKWW C40H53N11O9S2 895.3469 NA PeJP NA NA +PJ070082 CDMRWW C40H53N11O9S2 895.347 NA PeJP NA NA +PJ070083 GSSSNQMW C36H53N11O14S 895.3494 NA PeJP NA NA +PJ070084 SSDDMRW C36H53N11O14S 895.3495 NA PeJP NA NA +PJ070085 NDEFWW C44H49N9O12 895.3501 NA PeJP NA NA +PJ070086 PTCCMRW C37H57N11O9S3 895.3503 NA PeJP NA NA +PJ070087 PCEHHHH C37H49N15O10S 895.3508 NA PeJP NA NA +PJ070088 GMMWWW C45H53N9O7S2 895.351 NA PeJP NA NA +PJ070089 GSSSSSQQE C32H53N11O19 895.3519 NA PeJP NA NA +PJ070090 SSSSDEER C32H53N11O19 895.352 NA PeJP NA NA +PJ070091 SNEEMMR C33H57N11O14S2 895.3528 NA PeJP NA NA +PJ070092 SSSNNNHH C33H49N15O15 895.3533 NA PeJP NA NA +PJ070093 GSTEMWW C41H53N9O12S 895.3535 NA PeJP NA NA +PJ070094 PCQMMMR C34H61N11O9S4 895.3537 NA PeJP NA NA +PJ070095 GSPCCHHR C34H53N15O10S2 895.3542 NA PeJP NA NA +PJ070096 CQHHWW C42H49N13O8S 895.3548 NA PeJP NA NA +PJ070097 GSSTTEEW C37H53N9O17 895.356 NA PeJP NA NA +PJ070098 GDKEMMW C38H57N9O12S2 895.3568 NA PeJP NA NA +PJ070099 GAATEMMW C38H57N9O12S2 895.3569 NA PeJP NA NA +PJ070100 SSNEHHW C38H49N13O13 895.3573 NA PeJP NA NA +PJ070101 AMYYYW C46H53N7O10S 895.3575 NA PeJP NA NA +PJ070102 GGGGCCMRR C31H57N15O10S3 895.3576 NA PeJP NA NA +PJ070103 GMMHHHF C39H53N13O8S2 895.3582 NA PeJP NA NA +PJ070104 GTTTQEEM C34H57N9O17S 895.3593 NA PeJP NA NA +PJ070105 GSSKEEEM C34H57N9O17S 895.3594 NA PeJP NA NA +PJ070106 GTTEYYY C42H53N7O15 895.36 NA PeJP NA NA +PJ070107 VQQEMMM C35H61N9O12S3 895.3602 NA PeJP NA NA +PJ070108 GSSSCNRW C35H53N13O13S 895.3607 NA PeJP NA NA +PJ070109 AAMMFYY C43H57N7O10S2 895.3609 NA PeJP NA NA +PJ070110 NNNYWW C43H49N11O11 895.3613 NA PeJP NA NA +PJ070111 GGGGGGYWW C43H49N11O11 895.3614 NA PeJP NA NA +PJ070112 CCCKHFR C36H57N13O8S3 895.3616 NA PeJP NA NA +MJ097100 Altromycin A; 13-Deoxy C46H57NO17 895.362649 NA MeJP NA NA +MJ097101 Altromycin A; 2'''-Deoxy C46H57NO17 895.362649 NA MeJP NA NA +PJ070113 GSSSSSNDR C31H53N13O18 895.3632 NA PeJP NA NA +PJ070114 PVEEEMY C39H57N7O15S 895.3634 NA PeJP NA NA +PJ070115 SSVCCNQR C32H57N13O13S2 895.364 NA PeJP NA NA +PJ070116 SCDEMRR C32H57N13O13S2 895.3641 NA PeJP NA NA +PJ070117 GPCDRYW C40H53N11O11S 895.3647 NA PeJP NA NA +PJ070118 PCCMMRR C33H61N13O8S4 895.3649 NA PeJP NA NA +PJ070119 GDFWWW C48H49N9O9 895.3654 NA PeJP NA NA +PJ070120 SSSSSQQW C36H53N11O16 895.3672 NA PeJP NA NA +PJ070121 GSEMMRW C37H57N11O11S2 895.3681 NA PeJP NA NA +PJ070122 NNNNHHF C37H49N15O12 895.3685 NA PeJP NA NA +PJ070123 GGNNNHHF C37H49N15O12 895.3686 NA PeJP NA NA +PJ070124 STMWWW C45H53N9O9S 895.3687 NA PeJP NA NA +PJ070125 GSSTEEMR C33H57N11O16S 895.3706 NA PeJP NA NA +PJ070126 SSTTEWW C41H53N9O14 895.3712 NA PeJP NA NA +PJ070127 GGGGPEEFF C41H53N9O14 895.3713 NA PeJP NA NA +PJ070128 AQEMMMR C34H61N11O11S3 895.3714 NA PeJP NA NA +PJ070129 GAAEMMMR C34H61N11O11S3 895.3715 NA PeJP NA NA +PJ070130 SNDMHHR C34H53N15O12S 895.3719 NA PeJP NA NA +PJ070131 DKMMWW C42H57N9O9S2 895.3721 NA PeJP NA NA +PJ070132 GSSHHWW C42H49N13O10 895.3726 NA PeJP NA NA +PJ070133 CFFFFW C50H53N7O7S 895.3728 NA PeJP NA NA +PJ070134 SSKEEMW C38H57N9O14S 895.3746 NA PeJP NA NA +PJ070135 TTYYYW C46H53N7O12 895.3752 NA PeJP NA NA +PJ070136 GAEFFYY C46H53N7O12 895.3753 NA PeJP NA NA +PJ070137 GLQMMMW C39H61N9O9S3 895.3755 NA PeJP NA NA +PJ070138 GCNNFRW C39H53N13O10S 895.3759 NA PeJP NA NA +PJ070139 GGGCNFRW C39H53N13O10S 895.376 NA PeJP NA NA +PJ070140 SSSTKEEE C34H57N9O19 895.3771 NA PeJP NA NA +PJ070141 TQKEEMM C35H61N9O14S2 895.378 NA PeJP NA NA +PJ070142 SNNNERY C35H53N13O15 895.3784 NA PeJP NA NA +PJ070143 GDDDRRY C35H53N13O15 895.3785 NA PeJP NA NA +PJ070144 KEMYYY C43H57N7O12S 895.3786 NA PeJP NA NA +PJ070145 PQKMMMM C36H65N9O9S4 895.3788 NA PeJP NA NA +PJ070146 GAPKMMMM C36H65N9O9S4 895.3789 NA PeJP NA NA +PJ070147 SCCNKRW C36H57N13O10S2 895.3793 NA PeJP NA NA +PJ070148 SNQHHHH C36H49N17O11 895.3798 NA PeJP NA NA +PJ070149 APPCHWW C44H53N11O8S 895.38 NA PeJP NA NA +PJ070150 VVEEEEY C39H57N7O17 895.3811 NA PeJP NA NA +PJ070151 SSSSNQMR C32H57N13O15S 895.3818 NA PeJP NA NA +PJ070152 PLEEMMF C40H61N7O12S2 895.382 NA PeJP NA NA +PJ070153 NEERYW C40H53N11O13 895.3825 NA PeJP NA NA +PJ070154 GDMMMRR C33H61N13O10S3 895.3827 NA PeJP NA NA +PJ070155 SMMRWW C41H57N11O8S2 895.3833 NA PeJP NA NA +PJ070156 LLEEMMM C37H65N7O12S3 895.3854 NA PeJP NA NA +PJ070157 SSTEMRW C37H57N11O13S 895.3858 NA PeJP NA NA +PJ070158 GGGGGGLQMY C37H57N11O13S 895.3859 NA PeJP NA NA +PJ070159 VNEYWW C45H53N9O11 895.3865 NA PeJP NA NA +PJ070160 AAMMMRW C38H61N11O8S3 895.3867 NA PeJP NA NA +PJ070161 GTCHHRW C38H53N15O9S 895.3872 NA PeJP NA NA +PJ070162 SSSTTEER C33H57N11O18 895.3883 NA PeJP NA NA +PJ070163 SDKEMMR C34H61N11O13S2 895.3892 NA PeJP NA NA +PJ070164 GSSSEHHR C34H53N15O14 895.3897 NA PeJP NA NA +PJ070165 VTTTCWW C42H57N9O11S 895.3898 NA PeJP NA NA +PJ070166 SSSLMWW C42H57N9O11S 895.3899 NA PeJP NA NA +PJ070167 PCKMMMR C35H65N11O8S4 895.3901 NA PeJP NA NA +PJ070168 AFFYYW C50H53N7O9 895.3905 NA PeJP NA NA +PJ070169 GQMMHHR C35H57N15O9S2 895.3906 NA PeJP NA NA +PJ070170 CKHHWW C43H53N13O7S 895.3912 NA PeJP NA NA +PJ070171 SSSSTLEW C38H57N9O16 895.3923 NA PeJP NA NA +PJ070172 GTTTTTEW C38H57N9O16 895.3924 NA PeJP NA NA +PJ070173 SSSSCNRR C31H57N15O14S 895.393 NA PeJP NA NA +PJ070174 GGSSSSCRR C31H57N15O14S 895.3931 NA PeJP NA NA +PJ070175 ATKEMMW C39H61N9O11S2 895.3932 NA PeJP NA NA +PJ070176 GSNNRYW C39H53N13O12 895.3937 NA PeJP NA NA +PJ070177 AAMFFFY C47H57N7O9S 895.3939 NA PeJP NA NA +PJ070178 GTTTKEEM C35H61N9O16S 895.3957 NA PeJP NA NA +PJ070179 SSTLYYY C43H57N7O14 895.3964 NA PeJP NA NA +PJ070180 VQKEMMM C36H65N9O11S3 895.3966 NA PeJP NA NA +PJ070181 SPCDRRY C36H57N13O12S 895.3971 NA PeJP NA NA +PJ070182 GERYWW C44H53N11O10 895.3977 NA PeJP NA NA +PJ070183 GSSSSSTQR C32H57N13O17 895.3996 NA PeJP NA NA +PJ070184 VLEEEMF C40H61N7O14S 895.3998 NA PeJP NA NA +PJ070185 SSEMMRR C33H61N13O12S2 895.4004 NA PeJP NA NA +PJ070186 GGGSTCKMR C33H61N13O12S2 895.4005 NA PeJP NA NA +PJ070187 NNNNQHR C33H53N17O13 895.4009 NA PeJP NA NA +PJ070188 GGGGGGGGGAHR C33H53N17O13 895.401 NA PeJP NA NA +PJ070189 GSPMRYW C41H57N11O10S 895.4011 NA PeJP NA NA +PJ070190 GVYWWW C49H53N9O8 895.4017 NA PeJP NA NA +PJ070191 GGPFFWW C49H53N9O8 895.4018 NA PeJP NA NA +PJ070192 SSSSSQKW C37H57N11O15 895.4036 NA PeJP NA NA +PJ070193 ATTMMRW C38H61N11O10S2 895.4045 NA PeJP NA NA +PJ070194 SSSHHRW C38H53N15O11 895.4049 NA PeJP NA NA +PJ070195 GGGEHHFR C38H53N15O11 895.405 NA PeJP NA NA +PJ070196 VQMFWW C46H57N9O8S 895.4051 NA PeJP NA NA +PJ070197 SSSSLEMR C34H61N11O15S 895.407 NA PeJP NA NA +PJ070198 TTTTTWW C42H57N9O13 895.4076 NA PeJP NA NA +PJ070199 AKEMMMR C35H65N11O10S3 895.4078 NA PeJP NA NA +PJ070200 GGGGKKMMM C35H65N11O10S3 895.4079 NA PeJP NA NA +PJ070201 GCNQRRY C35H57N15O11S 895.4083 NA PeJP NA NA +PJ070202 GPKMMFW C43H61N9O8S2 895.4085 NA PeJP NA NA +PJ070203 PDHRWW C43H53N13O9 895.409 NA PeJP NA NA +PJ070204 TTTKEMW C39H61N9O13S 895.411 NA PeJP NA NA +PJ070205 PKYYYY C47H57N7O11 895.4116 NA PeJP NA NA +MJ097102 Enopeptin A C47H57N7O11 895.411605 NA MeJP NA NA +PJ070206 GSSCCKRR C32H61N15O11S2 895.4117 NA PeJP NA NA +PJ070207 GLKMMMW C40H65N9O8S3 895.4119 NA PeJP NA NA +PJ070208 CEFRRW C40H57N13O9S 895.4123 NA PeJP NA NA +PJ070209 RYWWW C48H53N11O7 895.413 NA PeJP NA NA +PJ070210 STTTTKEE C35H61N9O18 895.4135 NA PeJP NA NA +PJ070211 ATTTLQMM C36H65N9O13S2 895.4143 NA PeJP NA NA +PJ070212 TKKEEMM C36H65N9O13S2 895.4144 NA PeJP NA NA +PJ070213 GSEERRY C36H57N13O14 895.4148 NA PeJP NA NA +PJ070214 GGGGSPPPDR C36H57N13O14 895.4149 NA PeJP NA NA +PJ070215 PPLEMFY C44H61N7O11S 895.415 NA PeJP NA NA +PJ070216 PKKMMMM C37H69N9O8S4 895.4152 NA PeJP NA NA +PJ070217 APCMRRY C37H61N13O9S2 895.4157 NA PeJP NA NA +PJ070218 SNKHHHH C37H53N17O10 895.4162 NA PeJP NA NA +PJ070219 AMFRWW C45H57N11O7S 895.4164 NA PeJP NA NA +PJ070220 TLLEEEY C40H61N7O16 895.4175 NA PeJP NA NA +PJ070221 SSSSNKMR C33H61N13O14S 895.4182 NA PeJP NA NA +PJ070222 PLLEMMY C41H65N7O11S2 895.4184 NA PeJP NA NA +PJ070223 AATERYW C41H57N11O12 895.4188 NA PeJP NA NA +PJ070224 DKERYW C41H57N11O12 895.4189 NA PeJP NA NA +PJ070225 ATMMMRR C34H65N13O9S3 895.4191 NA PeJP NA NA +PJ070226 STCHHRR C34H57N17O10S 895.4195 NA PeJP NA NA +PJ070227 GGPCNHRR C34H57N17O10S 895.4196 NA PeJP NA NA +PJ070228 NHHFRW C42H53N15O8 895.4202 NA PeJP NA NA +PJ070229 TTTTMRW C38H61N11O12S 895.4222 NA PeJP NA NA +PJ070230 GGGGGGPPPLM C38H61N11O12S 895.4223 NA PeJP NA NA +PJ070231 VDKYWW C46H57N9O10 895.4229 NA PeJP NA NA +PJ070232 VVMHHHH C39H57N15O8S 895.4236 NA PeJP NA NA +PJ070233 STTTTTER C34H61N11O17 895.4247 NA PeJP NA NA +PJ070234 TTKEMMR C35H65N11O12S2 895.4256 NA PeJP NA NA +PJ070235 SSNNRRY C35H57N15O13 895.4261 NA PeJP NA NA +PJ070236 APTKMYW C43H61N9O10S 895.4262 NA PeJP NA NA +PJ070237 GGGLLMYW C43H61N9O10S 895.4263 NA PeJP NA NA +PJ070238 PPCMHRR C36H61N15O8S2 895.4269 NA PeJP NA NA +PJ070239 SSTTTTLW C39H61N9O15 895.4287 NA PeJP NA NA +PJ070240 GGTLKEEY C39H61N9O15 895.4288 NA PeJP NA NA +PJ070241 STLKMMW C40H65N9O10S2 895.4296 NA PeJP NA NA +PJ070242 SERRYW C40H57N13O11 895.4301 NA PeJP NA NA +PJ070243 CCCKKRR C33H65N15O8S3 895.4303 NA PeJP NA NA +PJ070244 SSTTLKEM C36H65N9O15S 895.4321 NA PeJP NA NA +MJ097103 Xanthostatin C44H61N7O13 895.432735 NA MeJP NA NA +PJ070245 PVLEEFY C44H61N7O13 895.4328 NA PeJP NA NA +PJ070246 VKKEMMM C37H69N9O10S3 895.433 NA PeJP NA NA +PJ070247 SSPMRRY C37H61N13O11S 895.4334 NA PeJP NA NA +PJ070248 AAEMRRY C37H61N13O11S 895.4335 NA PeJP NA NA +PJ070249 SVRYWW C45H57N11O9 895.4341 NA PeJP NA NA +PJ070250 ASSSSSSKR C33H61N13O16 895.4359 NA PeJP NA NA +PJ070251 GSSSSSTKR C33H61N13O16 895.436 NA PeJP NA NA +PJ070252 VLLEEMY C41H65N7O13S 895.4361 NA PeJP NA NA +PJ070253 TTTMMRR C34H65N13O11S2 895.4368 NA PeJP NA NA +PJ070254 GNQEHRR C34H57N17O12 895.4373 NA PeJP NA NA +PJ070255 LQMRYW C42H61N11O9S 895.4375 NA PeJP NA NA +PJ070256 LHFFFW C50H57N9O7 895.4381 NA PeJP NA NA +PJ070257 SSSSSKKW C38H61N11O14 895.44 NA PeJP NA NA +PJ070258 ALQMMFR C39H65N11O9S2 895.4408 NA PeJP NA NA +PJ070259 TCCKKKW C39H65N11O9S2 895.4409 NA PeJP NA NA +PJ070260 AAQQHRW C39H57N15O10 895.4413 NA PeJP NA NA +PJ070261 VKMFWW C47H61N9O7S 895.4415 NA PeJP NA NA +PJ070262 SSTTTLMR C35H65N11O14S 895.4433 NA PeJP NA NA +PJ070263 GGSSTTKKM C35H65N11O14S 895.4434 NA PeJP NA NA +PJ070264 GTLKEYW C43H61N9O12 895.444 NA PeJP NA NA +PJ070265 SLKMMMR C36H69N11O9S3 895.4442 NA PeJP NA NA +PJ070266 DMRRRY C36H61N15O10S 895.4447 NA PeJP NA NA +PJ070267 AAKHHFW C44H57N13O8 895.4453 NA PeJP NA NA +PJ070268 GPPHFRW C44H57N13O8 895.4454 NA PeJP NA NA +PJ070269 PTKKEMY C40H65N9O12S 895.4474 NA PeJP NA NA +PJ070270 LKFYYY C48H61N7O10 895.448 NA PeJP NA NA +PJ070271 CLRRYW C41H61N13O8S 895.4487 NA PeJP NA NA +MJ097104 N-[4-[(Aminoiminomethyl)amino]-1-[[[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]amino]carbonyl]butyl]-1-[2-[4-(6,11-dihydro-6-oxo-5H-dibenz[b,e]azepin-11-yl)-1-piperazinyl]-2-oxoethyl]cyclopentaneacetamide C49H57N11O6 895.449328 NA MeJP NA NA +PJ070272 SSSSTTTLL C36H65N9O17 895.4499 NA PeJP NA NA +PJ070273 SSSLLKMM C37H69N9O12S2 895.4507 NA PeJP NA NA +PJ070274 ATTERRY C37H61N13O13 895.4512 NA PeJP NA NA +PJ070275 GGGGGGGGPPVK C37H61N13O13 895.4513 NA PeJP NA NA +PJ070276 PPLLMYY C45H65N7O10S 895.4514 NA PeJP NA NA +PJ070277 GVMMFRR C38H65N13O8S2 895.4521 NA PeJP NA NA +PJ070278 NQHRRW C38H57N17O9 895.4526 NA PeJP NA NA +PJ070279 SSSTCKKR C34H65N13O13S 895.4546 NA PeJP NA NA +PJ070280 LLLEMMF C42H69N7O10S2 895.4548 NA PeJP NA NA +PJ070281 GTTLRYW C42H61N11O11 895.4552 NA PeJP NA NA +PJ070282 GAALLEHW C42H61N11O11 895.4553 NA PeJP NA NA +PJ070283 CCKKKMR C35H69N13O8S3 895.4555 NA PeJP NA NA +PJ070284 GLKEMRY C39H65N11O11S 895.4586 NA PeJP NA NA +PJ070285 TLKYWW C47H61N9O9 895.4593 NA PeJP NA NA +PJ070286 GSSSTTTKK C35H65N11O16 895.4611 NA PeJP NA NA +PJ070287 GSSKKKMM C36H69N11O11S2 895.462 NA PeJP NA NA +PJ070288 PTTEHRR C36H61N15O12 895.4624 NA PeJP NA NA +PJ070289 GLEEHRR C36H61N15O12 895.4625 NA PeJP NA NA +PJ070290 GVLKMYW C44H65N9O9S 895.4626 NA PeJP NA NA +PJ070291 MMFRRR C37H65N15O7S2 895.4633 NA PeJP NA NA +PJ070292 GPHHHRR C37H57N19O8 895.4638 NA PeJP NA NA +PJ070293 SLKKEEY C40H65N9O14 895.4651 NA PeJP NA NA +PJ070294 GAAPPLLEE C40H65N9O14 895.4652 NA PeJP NA NA +PJ070295 PVKKMMY C41H69N9O9S2 895.466 NA PeJP NA NA +MJ097105 Callatostatin 3 C41H61N13O10 895.466435 NA MeJP NA NA +PJ070296 GVLEHRW C41H61N13O10 895.4665 NA PeJP NA NA +PJ070297 TTTTTLKM C37H69N9O14S 895.4685 NA PeJP NA NA +PJ070298 PVLLEYY C45H65N7O12 895.4692 NA PeJP NA NA +PJ070299 GTLMRRY C38H65N13O10S 895.4698 NA PeJP NA NA +PJ070300 GGGKKMRY C38H65N13O10S 895.4699 NA PeJP NA NA +PJ070301 AALLHWW C46H61N11O8 895.4705 NA PeJP NA NA +PJ070302 GNKEHRR C35H61N17O11 895.4737 NA PeJP NA NA +PJ070303 LKMRYW C43H65N11O8S 895.4739 NA PeJP NA NA +PJ070304 STLKERY C39H65N11O13 895.4764 NA PeJP NA NA +PJ070305 ALKMMFR C40H69N11O8S2 895.4772 NA PeJP NA NA +PJ070306 LEHRRW C40H61N15O9 895.4777 NA PeJP NA NA +PJ070307 SSSTKKKM C36H69N11O13S 895.4797 NA PeJP NA NA +PJ070308 SSLLKYW C44H65N9O11 895.4804 NA PeJP NA NA +PJ070309 CKKKKMM C37H73N11O8S3 895.4806 NA PeJP NA NA +PJ070310 SPLMHRR C37H65N15O9S 895.4811 NA PeJP NA NA +PJ070311 VLHRWW C45H61N13O7 895.4817 NA PeJP NA NA +PJ070312 VVKKEMY C41H69N9O11S 895.4838 NA PeJP NA NA +PJ070313 PPLLFFY C49H65N7O9 895.4844 NA PeJP NA NA +PJ070314 GSQHRRR C34H61N19O10 895.4849 NA PeJP NA NA +PJ070315 STTLRRY C38H65N13O12 895.4876 NA PeJP NA NA +PJ070316 PLLLMFY C46H69N7O9S 895.4878 NA PeJP NA NA +PJ070317 NKHRRW C39H61N17O8 895.4889 NA PeJP NA NA +PJ070318 GGKHRRW C39H61N17O8 895.489 NA PeJP NA NA +PJ070319 LLLLMMY C43H73N7O9S2 895.4912 NA PeJP NA NA +PJ070320 GSKKKYW C43H65N11O10 895.4916 NA PeJP NA NA +PJ070321 SVLKMRY C40H69N11O10S 895.495 NA PeJP NA NA +PJ070322 PPVVLWW C48H65N9O8 895.4957 NA PeJP NA NA +PJ070323 SVLEHRR C37H65N15O11 895.4988 NA PeJP NA NA +PJ070324 GGPPKERR C37H65N15O11 895.4989 NA PeJP NA NA +PJ070325 PVKKMFF C45H69N9O8S 895.499 NA PeJP NA NA +PJ070326 GTTTLLKY C41H69N9O13 895.5015 NA PeJP NA NA +PJ070327 VLKKMMF C42H73N9O8S2 895.5024 NA PeJP NA NA +PJ070328 ATLLHRW C42H65N13O9 895.5029 NA PeJP NA NA +PJ070329 VLLLEFY C46H69N7O11 895.5055 NA PeJP NA NA +PJ070330 ACKKKRY C39H69N13O9S 895.5062 NA PeJP NA NA +PJ070331 LKFFRW C47H65N11O7 895.5069 NA PeJP NA NA +MJ097106 Vinleucinol C51H69N5O9 895.509528 NA MeJP NA NA +PJ070332 SPPQRRR C36H65N17O10 895.5101 NA PeJP NA NA +PJ070333 SDKKKKY C40H69N11O12 895.5127 NA PeJP NA NA +PJ070334 GATTKKKY C40H69N11O12 895.5128 NA PeJP NA NA +PJ070335 GPPKRRW C41H65N15O8 895.5141 NA PeJP NA NA +PJ070336 GPPTLLLW C45H69N9O10 895.5168 NA PeJP NA NA +PJ070337 ALLMHRR C38H69N15O8S 895.5175 NA PeJP NA NA +PJ070338 TLLKKMY C42H73N9O10S 895.5201 NA PeJP NA NA +PJ070339 PPPTLLKM C42H73N9O10S 895.5202 NA PeJP NA NA +PJ070340 PLLLFFF C50H69N7O8 895.5208 NA PeJP NA NA +PJ070341 GSKHRRR C35H65N19O9 895.5213 NA PeJP NA NA +PJ070342 SSKKKRY C39H69N13O11 895.524 NA PeJP NA NA +PJ070343 LLLLMFF C47H73N7O8S 895.5242 NA PeJP NA NA +MJ097107 Verrucopeptin C43H73N7O13 895.526635 NA MeJP NA NA +PJ070344 SLLLKHW C44H69N11O9 895.528 NA PeJP NA NA +PJ070345 AKKKKMY C41H73N11O9S 895.5314 NA PeJP NA NA +PJ070346 TTLLHRR C38H69N15O10 895.5352 NA PeJP NA NA +PJ070347 SPPLLLKE C42H73N9O12 895.5379 NA PeJP NA NA +PJ070348 AVKKKHW C43H69N13O8 895.5392 NA PeJP NA NA +PJ070349 GLKKKHW C43H69N13O8 895.5393 NA PeJP NA NA +PJ070350 VLLLLYY C47H73N7O10 895.5419 NA PeJP NA NA +PJ070351 VLLKMHR C40H73N13O8S 895.5426 NA PeJP NA NA +PJ070352 SPPKRRR C37H69N17O9 895.5465 NA PeJP NA NA +PJ070353 TTKKKKY C41H73N11O11 895.5491 NA PeJP NA NA +PJ070354 GPVLLLER C41H73N11O11 895.5492 NA PeJP NA NA +PJ070355 AAPLLLLW C46H73N9O9 895.5532 NA PeJP NA NA +PJ070356 PPVVLLKM C43H77N9O9S 895.5565 NA PeJP NA NA +PJ070357 GPVRRRR C36H69N19O8 895.5577 NA PeJP NA NA +PJ070358 PLLLERR C40H73N13O10 895.5604 NA PeJP NA NA +PJ070359 PVLLLRW C45H73N11O8 895.5644 NA PeJP NA NA +PJ070360 PRRRRR C35H69N21O7 895.5689 NA PeJP NA NA +PJ070361 PVLQKRR C39H73N15O9 895.5716 NA PeJP NA NA +PJ070362 APLLLLKE C43H77N9O11 895.5743 NA PeJP NA NA +PJ070363 APLKRRR C38H73N17O8 895.5828 NA PeJP NA NA +PJ070364 APTLLLLR C42H77N11O10 895.5855 NA PeJP NA NA +PJ070365 AAPLLKKR C41H77N13O9 895.5968 NA PeJP NA NA +PJ070366 PVLKKRR C40H77N15O8 895.608 NA PeJP NA NA +PJ070367 SPLLLLLK C44H81N9O10 895.6107 NA PeJP NA NA +PJ070368 GVLLLLLR C43H81N11O9 895.6219 NA PeJP NA NA +PJ070369 LLLLLRR C42H81N13O8 895.6331 NA PeJP NA NA +PJ070370 ALLLLLLK C45H85N9O9 895.6471 NA PeJP NA NA +HMDB08356 PC(20:2(11Z,14Z)/24:1(15Z)) C52H98NO8P 895.703003 NA HMDB2010 NA NA +HMDB08388 PC(20:3(5Z,8Z,11Z)/24:0) C52H98NO8P 895.703003 NA HMDB2010 NA NA +HMDB08420 PC(20:3(8Z,11Z,14Z)/24:0) C52H98NO8P 895.703003 NA HMDB2010 NA NA +HMDB08579 PC(22:1(13Z)/22:2(13Z,16Z)) C52H98NO8P 895.703003 NA HMDB2010 NA NA +HMDB08611 PC(22:2(13Z,16Z)/22:1(13Z)) C52H98NO8P 895.703003 NA HMDB2010 NA NA +HMDB08770 PC(24:0/20:3(5Z,8Z,11Z)) C52H98NO8P 895.703003 NA HMDB2010 NA NA +HMDB08771 PC(24:0/20:3(8Z,11Z,14Z)) C52H98NO8P 895.703003 NA HMDB2010 NA NA +HMDB08802 PC(24:1(15Z)/20:2(11Z,14Z)) C52H98NO8P 895.703003 NA HMDB2010 NA NA +MJ097108 Quisqualin A C39H28O25 896.091966 NA MeJP NA NA +PJ070371 CCCCCCEM C28H48N8O11S7 896.1488 NA PeJP NA NA +PJ070372 PCCCCCCY C32H48N8O10S6 896.1818 NA PeJP NA NA +PJ070373 TCCCCCMM C29H52N8O10S7 896.1852 NA PeJP NA NA +PJ070374 GCCCCDMY C32H48N8O12S5 896.1996 NA PeJP NA NA +PJ070375 SCCCDDDH C30H44N10O16S3 896.2099 NA PeJP NA NA +PJ070376 PCCCCCEH C31H48N10O11S5 896.2108 NA PeJP NA NA +PJ070377 PCCDDDDD C31H44N8O19S2 896.2165 NA PeJP NA NA +PJ070378 SSCCCCEY C32H48N8O14S4 896.2173 NA PeJP NA NA +PJ070379 GCCCCMMF C33H52N8O9S6 896.2182 NA PeJP NA NA +PJ070380 GCCCDEMH C31H48N10O13S4 896.2286 NA PeJP NA NA +PJ070381 GCCCCDFF C36H48N8O11S4 896.2326 NA PeJP NA NA +PJ070382 GDDDDDDM C31H44N8O21S 896.2342 NA PeJP NA NA +PJ070383 GSCCCMMY C33H52N8O11S5 896.2359 NA PeJP NA NA +PJ070384 SCCCCNQH C30H48N12O12S4 896.2398 NA PeJP NA NA +PJ070385 CCCDMHW C35H48N10O10S4 896.2438 NA PeJP NA NA +PJ070386 SCNNDDDD C30H44N10O20S 896.2454 NA PeJP NA NA +PJ070387 GGSCNDDDD C30H44N10O20S 896.2455 NA PeJP NA NA +PJ070388 SSCCDDMH C31H48N10O15S3 896.2463 NA PeJP NA NA +PJ070389 PTCCCCMH C32H52N10O10S5 896.2472 NA PeJP NA NA +PJ070390 CDDDDEW C35H44N8O18S 896.2495 NA PeJP NA NA +PJ070391 CCCNEYY C36H48N8O13S3 896.2503 NA PeJP NA NA +PJ070392 SSDDDDDE C31H44N8O23 896.252 NA PeJP NA NA +PJ070393 SPCDDDDM C32H48N8O18S2 896.2528 NA PeJP NA NA +PJ070394 SSTCCCMY C33H52N8O13S4 896.2537 NA PeJP NA NA +PJ070395 GSSSCCCNH C30H48N12O14S3 896.2575 NA PeJP NA NA +PJ070396 GGGSSSCCCH C30H48N12O14S3 896.2576 NA PeJP NA NA +PJ070397 GPCCCNDW C35H48N10O12S3 896.2616 NA PeJP NA NA +PJ070398 GCNNDDEM C31H48N10O17S2 896.2641 NA PeJP NA NA +PJ070399 GSCCEMMH C32H52N10O12S4 896.2649 NA PeJP NA NA +PJ070400 GGGPPTCCCC C32H52N10O12S4 896.265 NA PeJP NA NA +PJ070401 GCCCYYW C40H48N8O10S3 896.2656 NA PeJP NA NA +PJ070402 GSSCCDYY C36H48N8O15S2 896.2681 NA PeJP NA NA +PJ070403 CCCQMFY C37H52N8O10S4 896.269 NA PeJP NA NA +PJ070404 GSDDDEEM C32H48N8O20S 896.2706 NA PeJP NA NA +PJ070405 GPCDDEMM C33H52N8O15S3 896.2715 NA PeJP NA NA +PJ070406 GCCCNNHF C34H48N12O11S3 896.2728 NA PeJP NA NA +PJ070407 GCCNDDDR C30H48N12O16S2 896.2753 NA PeJP NA NA +PJ070408 SCCCCNKH C31H52N12O11S4 896.2762 NA PeJP NA NA +PJ070409 CNNDDMW C35H48N10O14S2 896.2793 NA PeJP NA NA +PJ070410 SCCMMHW C36H52N10O9S4 896.2802 NA PeJP NA NA +PJ070411 SSNNDDDM C31H48N10O19S 896.2818 NA PeJP NA NA +PJ070412 SSSCDMMH C32H52N10O14S3 896.2827 NA PeJP NA NA +PJ070413 CNMMMMH C33H56N10O9S5 896.2836 NA PeJP NA NA +PJ070414 GTCCCHHH C33H48N14O10S3 896.284 NA PeJP NA NA +PJ070415 SCDEEEW C36H48N8O17S 896.2858 NA PeJP NA NA +PJ070416 SDDDEMW C36H48N8O17S 896.2859 NA PeJP NA NA +PJ070417 PCDDMMW C37H52N8O12S3 896.2867 NA PeJP NA NA +PJ070418 SSSDDEEE C32H48N8O22 896.2884 NA PeJP NA NA +PJ070419 NDEEEMM C33H52N8O17S2 896.2892 NA PeJP NA NA +PJ070420 GSDDDDHH C33H44N12O18 896.2897 NA PeJP NA NA +PJ070421 SPPCCEMM C34H56N8O12S4 896.2901 NA PeJP NA NA +PJ070422 GSCCNNNW C34H48N12O13S2 896.2906 NA PeJP NA NA +PJ070423 GSSSCNNND C30H48N12O18S 896.2931 NA PeJP NA NA +PJ070424 SPCCCNDR C31H52N12O13S3 896.2939 NA PeJP NA NA +PJ070425 GGGGGGGCNMM C31H52N12O13S3 896.294 NA PeJP NA NA +PJ070426 GCCNEWW C39H48N10O11S2 896.2946 NA PeJP NA NA +PJ070427 GSSCNDEW C35H48N10O16S 896.2971 NA PeJP NA NA +PJ070428 SCCCRYY C36H52N10O11S3 896.2979 NA PeJP NA NA +PJ070429 GSPCCNMW C36H52N10O11S3 896.298 NA PeJP NA NA +PJ070430 GSSSSNDDE C31H48N10O21 896.2996 NA PeJP NA NA +PJ070431 ATCCDQQE C32H52N10O16S2 896.3004 NA PeJP NA NA +PJ070432 DDDDMMR C32H52N10O16S2 896.3005 NA PeJP NA NA +PJ070433 PCDDDFW C40H48N8O14S 896.3011 NA PeJP NA NA +PJ070434 GSTCMMMH C33H56N10O11S4 896.3013 NA PeJP NA NA +PJ070435 SSSCCHHH C33H48N14O12S2 896.3018 NA PeJP NA NA +PJ070436 CCCQFFF C41H52N8O9S3 896.302 NA PeJP NA NA +PJ070437 GSPDDDEY C36H48N8O19 896.3036 NA PeJP NA NA +PJ070438 GDEEMMW C37H52N8O14S2 896.3045 NA PeJP NA NA +PJ070439 GCCCNNQR C30H52N14O12S3 896.3052 NA PeJP NA NA +PJ070440 CCCKMFY C38H56N8O9S4 896.3053 NA PeJP NA NA +PJ070441 PPPCCCMF C38H56N8O9S4 896.3054 NA PeJP NA NA +PJ070442 PCCDHHW C38H48N12O10S2 896.3058 NA PeJP NA NA +PJ070443 GSSEEEEM C33H52N8O19S 896.307 NA PeJP NA NA +PJ070444 GSPDEMMM C34H56N8O14S3 896.3079 NA PeJP NA NA +PJ070445 GCNNNNDF C34H48N12O15S 896.3083 NA PeJP NA NA +PJ070446 GGGGGGGGGCDF C34H48N12O15S 896.3084 NA PeJP NA NA +PJ070447 GPPCMMMM C35H60N8O9S5 896.3087 NA PeJP NA NA +PJ070448 CCCEHFR C35H52N12O10S3 896.3092 NA PeJP NA NA +PJ070449 CCNWWW C43H48N10O8S2 896.3098 NA PeJP NA NA +PJ070450 GSCNDDMR C31H52N12O15S2 896.3117 NA PeJP NA NA +PJ070451 SSCNDWW C39H48N10O13S 896.3123 NA PeJP NA NA +PJ070452 GGCDDHFF C39H48N10O13S 896.3124 NA PeJP NA NA +PJ070453 GPCCCQMR C32H56N12O10S4 896.3126 NA PeJP NA NA +PJ070454 ACCMHFW C40H52N10O8S3 896.3132 NA PeJP NA NA +PJ070455 SSSSNDDW C35H48N10O18 896.3148 NA PeJP NA NA +PJ070456 GGGGNDEEY C35H48N10O18 896.3149 NA PeJP NA NA +PJ070457 SNNDMMW C36H52N10O13S2 896.3157 NA PeJP NA NA +PJ070458 CCNHHHF C37H48N14O9S2 896.3171 NA PeJP NA NA +PJ070459 SSSNNEEM C32H52N10O18S 896.3182 NA PeJP NA NA +PJ070460 SPDDDYW C40H48N8O16 896.3189 NA PeJP NA NA +PJ070461 SSSSMMMH C33H56N10O13S3 896.3191 NA PeJP NA NA +PJ070462 CDDDHHR C33H48N14O14S 896.3196 NA PeJP NA NA +PJ070463 DEMMWW C41H52N8O11S2 896.3197 NA PeJP NA NA +MJ097109 Perdeacyleuojaponin; 2-(3-Pyridinecarbonyl), 8-(2-methylpropanoyl), 1,6,9,14-tetra-Ac C44H52N2O18 896.321512 NA MeJP NA NA +MJ097110 Perdeacyleuojaponin; 8-(3-Pyridinecarbonyl), 2-(2-methylpropanoyl), 1,6,9,14-tetra-Ac C44H52N2O18 896.321512 NA MeJP NA NA +PJ070464 SSEEEMW C37H52N8O16S 896.3222 NA PeJP NA NA +PJ070465 SSCCNNNR C30H52N14O14S2 896.3229 NA PeJP NA NA +PJ070466 SPDMMMW C38H56N8O11S3 896.3231 NA PeJP NA NA +PJ070467 GDDMHHW C38H48N12O12S 896.3236 NA PeJP NA NA +PJ070468 GPCCCCRR C31H56N14O9S4 896.3238 NA PeJP NA NA +PJ070469 SSSTEEEE C33H52N8O21 896.3247 NA PeJP NA NA +PJ070470 TQEEEMM C34H56N8O16S2 896.3256 NA PeJP NA NA +PJ070471 GSNNNNDY C34H48N12O17 896.3261 NA PeJP NA NA +PJ070472 EEMYYY C42H52N6O14S 896.3262 NA PeJP NA NA +PJ070473 PQEMMMM C35H60N8O11S4 896.3265 NA PeJP NA NA +PJ070474 SCCNERW C35H52N12O12S2 896.3269 NA PeJP NA NA +PJ070475 GGSCCERW C35H52N12O12S2 896.327 NA PeJP NA NA +PJ070476 SSSCNDER C31H52N12O17S 896.3294 NA PeJP NA NA +PJ070477 GGSSTCDDR C31H52N12O17S 896.3295 NA PeJP NA NA +PJ070478 GNNDEYW C39H48N10O15 896.3301 NA PeJP NA NA +PJ070479 CNNEMMR C32H56N12O12S3 896.3303 NA PeJP NA NA +PJ070480 GSCQMWW C40H52N10O10S2 896.331 NA PeJP NA NA +PJ070481 GSSSNEMW C36H52N10O15S 896.3335 NA PeJP NA NA +PJ070482 DDEFWW C44H48N8O13 896.3341 NA PeJP NA NA +PJ070483 GNQMMMW C37H56N10O10S3 896.3343 NA PeJP NA NA +PJ070484 GGGGAMMMW C37H56N10O10S3 896.3344 NA PeJP NA NA +PJ070485 SCNNHHW C37H48N14O11S 896.3348 NA PeJP NA NA +PJ070486 GSSSSSQEE C32H52N10O20 896.336 NA PeJP NA NA +PJ070487 SDEEMMR C33H56N10O15S2 896.3368 NA PeJP NA NA +PJ070488 GGGGGTTEMM C33H56N10O15S2 896.3369 NA PeJP NA NA +PJ070489 SSSNNDHH C33H48N14O16 896.3373 NA PeJP NA NA +PJ070490 GPDEMYW C41H52N8O13S 896.3375 NA PeJP NA NA +PJ070491 PCEMMMR C34H60N10O10S4 896.3377 NA PeJP NA NA +PJ070492 NNNMMHH C34H52N14O11S2 896.3382 NA PeJP NA NA +PJ070493 CCCKFFF C42H56N8O8S3 896.3384 NA PeJP NA NA +PJ070494 CEHHWW C42H48N12O9S 896.3388 NA PeJP NA NA +PJ070495 AQEEEEY C37H52N8O18 896.34 NA PeJP NA NA +PJ070496 ATEEMMW C38H56N8O13S2 896.3409 NA PeJP NA NA +PJ070497 SSDEHHW C38H48N12O14 896.3413 NA PeJP NA NA +PJ070498 GGGGPDDHW C38H48N12O14 896.3414 NA PeJP NA NA +PJ070499 CCNDMRR C31H56N14O11S3 896.3416 NA PeJP NA NA +PJ070500 APMMMMW C39H60N8O8S4 896.3417 NA PeJP NA NA +PJ070501 GSCCRWW C39H52N12O9S2 896.3422 NA PeJP NA NA +PJ070502 GTTTEEEM C34H56N8O18S 896.3434 NA PeJP NA NA +PJ070503 VQEEMMM C35H60N8O13S3 896.3442 NA PeJP NA NA +PJ070504 GSSSCDRW C35H52N12O14S 896.3447 NA PeJP NA NA +PJ070505 NNDYWW C43H48N10O12 896.3453 NA PeJP NA NA +PJ070506 GGNDYWW C43H48N10O12 896.3454 NA PeJP NA NA +PJ070507 GCNMMRW C36H56N12O9S3 896.3456 NA PeJP NA NA +PJ070508 GSSSSSDDR C31H52N12O19 896.3472 NA PeJP NA NA +PJ070509 GSSNDMMR C32H56N12O14S2 896.3481 NA PeJP NA NA +PJ070510 GNNNNNNH C32H48N16O15 896.3485 NA PeJP NA NA +PJ070511 GGGGGNNNNH C32H48N16O15 896.3486 NA PeJP NA NA +PJ070512 SSSNMWW C40H52N10O12S 896.3487 NA PeJP NA NA +PJ070513 GPCCCKMR C33H60N12O9S4 896.349 NA PeJP NA NA +PJ070514 CCNQHHR C33H52N16O10S2 896.3494 NA PeJP NA NA +PJ070515 SSSSSQEW C36H52N10O17 896.3512 NA PeJP NA NA +PJ070516 GGGGPPPDDE C36H52N10O17 896.3513 NA PeJP NA NA +PJ070517 SSQQMMW C37H56N10O12S2 896.3521 NA PeJP NA NA +PJ070518 NNNDHHF C37H48N14O13 896.3526 NA PeJP NA NA +PJ070519 PDMYWW C45H52N8O10S 896.3527 NA PeJP NA NA +PJ070520 GGGCFFFY C45H52N8O10S 896.3528 NA PeJP NA NA +PJ070521 SSSNDKEM C33H56N10O17S 896.3546 NA PeJP NA NA +PJ070522 AAEEEYW C41H52N8O15 896.3552 NA PeJP NA NA +PJ070523 GVDEEYW C41H52N8O15 896.3553 NA PeJP NA NA +PJ070524 AEEMMMR C34H60N10O12S3 896.3555 NA PeJP NA NA +PJ070525 CNNNNRY C34H52N14O13S 896.3559 NA PeJP NA NA +PJ070526 GGGGGGCNRY C34H52N14O13S 896.356 NA PeJP NA NA +PJ070527 PPTCMYW C42H56N8O10S2 896.3561 NA PeJP NA NA +PJ070528 ACCCRRW C35H56N14O8S3 896.3568 NA PeJP NA NA +MJ097111 Virotoxin; Viroidin C38H56N8O15S 896.358583 NA MeJP NA NA +MJ097112 Virotoxin; Viroisin, S-Deoxy C38H56N8O15S 896.358583 NA MeJP NA NA +PJ070529 TTTEEMW C38H56N8O15S 896.3586 NA PeJP NA NA +PJ070530 PEYYYY C46H52N6O13 896.3593 NA PeJP NA NA +PJ070531 GLEMMMW C39H60N8O10S3 896.3595 NA PeJP NA NA +PJ070532 GCNDFRW C39H52N12O11S 896.36 NA PeJP NA NA +PJ070533 STTTTEEE C34H56N8O20 896.3611 NA PeJP NA NA +PJ070534 TKEEEMM C35H60N8O15S2 896.362 NA PeJP NA NA +PJ070535 GSSNNQQY C35H52N12O16 896.3624 NA PeJP NA NA +PJ070536 SNNDERY C35H52N12O16 896.3625 NA PeJP NA NA +PJ070537 PKEMMMM C36H64N8O10S4 896.3629 NA PeJP NA NA +PJ070538 SSCQMRW C36H56N12O11S2 896.3633 NA PeJP NA NA +PJ070539 GGGGGPPMMH C36H56N12O11S2 896.3634 NA PeJP NA NA +PJ070540 SNEHHHH C36H48N16O12 896.3638 NA PeJP NA NA +PJ070541 NNMFWW C44H52N10O9S 896.364 NA PeJP NA NA +PJ070542 SSSSNEMR C32H56N12O16S 896.3658 NA PeJP NA NA +PJ070543 GSSSSTWW C40H52N10O14 896.3665 NA PeJP NA NA +PJ070544 SNQMMMR C33H60N12O11S3 896.3667 NA PeJP NA NA +PJ070545 GSSCNHHR C33H52N16O12S 896.3672 NA PeJP NA NA +PJ070546 ATCCKWW C41H56N10O9S2 896.3673 NA PeJP NA NA +PJ070547 GSCKMWW C41H56N10O9S2 896.3674 NA PeJP NA NA +MJ097113 Sandoricin; 15-O-[?-L-Rhamnopyranosyl(1?6)-?-D-glucopyranoside] C43H60O20 896.367794 NA MeJP NA NA +C06319 Precorrin 6Y C44H56N4O16 896.3691 NA KEGG NA NA +MJ097114 Precorrin 6Y C44H56N4O16 896.369131 NA MeJP NA NA +MetaCyc04268 precorrin-6y [precorrin-6B;] C44H56N4O16 896.369132 NA metacyc NA NA +PJ070548 GSSTTQMW C37H56N10O14S 896.3698 NA PeJP NA NA +PJ070549 GSSSDKMW C37H56N10O14S 896.3699 NA PeJP NA NA +PJ070550 VDEYWW C45H52N8O12 896.3705 NA PeJP NA NA +PJ070551 GNKMMMW C38H60N10O9S3 896.3707 NA PeJP NA NA +PJ070552 PMMFWW C46H56N8O7S2 896.3714 NA PeJP NA NA +PJ070553 GSSSSSKEE C33H56N10O19 896.3723 NA PeJP NA NA +PJ070554 GSSSSTDKE C33H56N10O19 896.3724 NA PeJP NA NA +PJ070555 TTEEMMR C34H60N10O14S2 896.3732 NA PeJP NA NA +PJ070556 GSPNDDHR C34H52N14O15 896.3737 NA PeJP NA NA +PJ070557 APTEMYW C42H56N8O12S 896.3739 NA PeJP NA NA +PJ070558 PTMMMMR C35H64N10O9S4 896.3741 NA PeJP NA NA +PJ070559 SSCCRRW C35H56N14O10S2 896.3746 NA PeJP NA NA +PJ070560 LMMMWW C43H60N8O7S3 896.3747 NA PeJP NA NA +PJ070561 TMHHWW C43H52N12O8S 896.3752 NA PeJP NA NA +PJ070562 AKEEEEY C38H56N8O17 896.3764 NA PeJP NA NA +PJ070563 SSSSCDRR C31H56N14O15S 896.3771 NA PeJP NA NA +PJ070564 STLEMMW C39H60N8O12S2 896.3772 NA PeJP NA NA +PJ070565 GGPLEMMY C39H60N8O12S2 896.3773 NA PeJP NA NA +PJ070566 GSNDRYW C39H52N12O13 896.3777 NA PeJP NA NA +PJ070567 GGGGGGGGGAFF C39H52N12O13 896.3778 NA PeJP NA NA +PJ070568 SCNMMRR C32H60N14O10S3 896.3779 NA PeJP NA NA +PJ070569 GVMMHHW C40H56N12O8S2 896.3786 NA PeJP NA NA +PJ070570 GSHHHHW C40H48N16O9 896.3791 NA PeJP NA NA +PJ070571 SSTTLEEM C35H60N8O17S 896.3797 NA PeJP NA NA +PJ070572 VKEEMMM C36H64N8O12S3 896.3806 NA PeJP NA NA +PJ070573 GSSSSMRW C36H56N12O13S 896.3811 NA PeJP NA NA +PJ070574 SQQYWW C44H52N10O11 896.3817 NA PeJP NA NA +MJ097115 Lyciumin; Lyciumin B C44H52N10O11 896.381702 NA MeJP NA NA +PJ070575 GGGGGPFYW C44H52N10O11 896.3818 NA PeJP NA NA +PJ070576 ACCKMRW C37H60N12O8S3 896.382 NA PeJP NA NA +PJ070577 AQMHHHH C37H52N16O9S 896.3824 NA PeJP NA NA +PJ070578 GSSSSSTER C32H56N12O18 896.3836 NA PeJP NA NA +PJ070579 ASSSQMMR C33H60N12O13S2 896.3844 NA PeJP NA NA +PJ070580 GSSTQMMR C33H60N12O13S2 896.3845 NA PeJP NA NA +PJ070581 NNNNEHR C33H52N16O14 896.3849 NA PeJP NA NA +PJ070582 GGGGGGNEHR C33H52N16O14 896.385 NA PeJP NA NA +PJ070583 SSTCKWW C41H56N10O11S 896.3851 NA PeJP NA NA +PJ070584 PDFFWW C49H52N8O9 896.3858 NA PeJP NA NA +PJ070585 SSSSSKEW C37H56N10O16 896.3876 NA PeJP NA NA +PJ070586 SSQKMMW C38H60N10O11S2 896.3885 NA PeJP NA NA +PJ070587 GNQQQHW C38H52N14O12 896.3889 NA PeJP NA NA +PJ070588 GGGQQQHW C38H52N14O12 896.389 NA PeJP NA NA +PJ070589 VEMFWW C46H56N8O9S 896.3891 NA PeJP NA NA +PJ070590 TCCCRRR C31H60N16O9S3 896.3892 NA PeJP NA NA +PJ070591 MMHHRW C39H56N14O7S2 896.3898 NA PeJP NA NA +PJ070592 SSSTQKEM C34H60N10O16S 896.391 NA PeJP NA NA +PJ070593 GTLEEYW C42H56N8O14 896.3916 NA PeJP NA NA +PJ070594 SLEMMMR C35H64N10O11S3 896.3918 NA PeJP NA NA +PJ070595 VTEMMMR C35H64N10O11S3 896.3919 NA PeJP NA NA +PJ070596 GCNERRY C35H56N14O12S 896.3923 NA PeJP NA NA +PJ070597 GGGGGGAPCKH C35H56N14O12S 896.3924 NA PeJP NA NA +PJ070598 GPLMMYW C43H60N8O9S2 896.3925 NA PeJP NA NA +PJ070599 GSPQHWW C43H52N12O10 896.393 NA PeJP NA NA +PJ070600 ACHHHHR C36H52N18O8S 896.3937 NA PeJP NA NA +PJ070601 PTKEEMY C39H60N8O14S 896.395 NA PeJP NA NA +PJ070602 LEFYYY C47H56N6O12 896.3956 NA PeJP NA NA +PJ070603 GSSTCMRR C32H60N14O12S2 896.3957 NA PeJP NA NA +PJ070604 SVLMMMW C40H64N8O9S3 896.3959 NA PeJP NA NA +PJ070605 NQMRYW C40H56N12O10S 896.3963 NA PeJP NA NA +PJ070606 GGGAMRYW C40H56N12O10S 896.3964 NA PeJP NA NA +PJ070607 NHFFFW C48H52N10O8 896.397 NA PeJP NA NA +PJ070608 SSSLLEMM C36H64N8O14S2 896.3984 NA PeJP NA NA +PJ070609 SSSSSTRW C36H56N12O15 896.3988 NA PeJP NA NA +PJ070610 GGGGTTERY C36H56N12O15 896.3989 NA PeJP NA NA +PJ070611 LLQMMMM C37H68N8O9S4 896.3992 NA PeJP NA NA +PJ070612 GALLMMMM C37H68N8O9S4 896.3993 NA PeJP NA NA +PJ070613 SSCKMRW C37H60N12O10S2 896.3997 NA PeJP NA NA +PJ070614 GNNNHRW C37H52N16O11 896.4002 NA PeJP NA NA +PJ070615 CQKFWW C45H56N10O8S 896.4004 NA PeJP NA NA +PJ070616 SSSSDKMR C33H60N12O15S 896.4022 NA PeJP NA NA +PJ070617 GSQKEYW C41H56N10O13 896.4029 NA PeJP NA NA +PJ070618 SNKMMMR C34H64N12O10S3 896.4031 NA PeJP NA NA +PJ070619 PCNDHRR C34H56N16O11S 896.4036 NA PeJP NA NA +PJ070620 PPVMMHW C42H60N10O8S2 896.4037 NA PeJP NA NA +PJ070621 DHHFRW C42H52N14O9 896.4042 NA PeJP NA NA +PJ070622 GSSTTKMW C38H60N10O13S 896.4062 NA PeJP NA NA +PJ070623 GGGGVKEMY C38H60N10O13S 896.4063 NA PeJP NA NA +PJ070624 TLEYWW C46H56N8O11 896.4069 NA PeJP NA NA +PJ070625 ACKKMMW C39H64N10O8S3 896.4071 NA PeJP NA NA +PJ070626 CNRRYW C39H56N14O9S 896.4076 NA PeJP NA NA +PJ070627 GSSSTTTKE C34H60N10O18 896.4087 NA PeJP NA NA +PJ070628 GSSKKEMM C35H64N10O13S2 896.4096 NA PeJP NA NA +PJ070629 SSNDRRY C35H56N14O14 896.4101 NA PeJP NA NA +PJ070630 SPTLMYW C43H60N8O11S 896.4102 NA PeJP NA NA +PJ070631 GVLEMYW C43H60N8O11S 896.4103 NA PeJP NA NA +PJ070632 VVMMMMR C36H68N10O8S4 896.4105 NA PeJP NA NA +PJ070633 ACNMFRR C36H60N14O9S2 896.4109 NA PeJP NA NA +PJ070634 GCQMFRR C36H60N14O9S2 896.411 NA PeJP NA NA +PJ070635 SSHHHHR C36H52N18O10 896.4114 NA PeJP NA NA +PJ070636 SSPTTLEY C39H60N8O16 896.4127 NA PeJP NA NA +PJ070637 SLKEEEY C39H60N8O16 896.4128 NA PeJP NA NA +PJ070638 SSSSSMRR C32H60N14O14S 896.4134 NA PeJP NA NA +MJ097116 3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside, hexabenzyl C55H60O11 896.413562 NA MeJP NA NA +PJ070639 PVKEMMY C40H64N8O11S2 896.4136 NA PeJP NA NA +PJ070640 GSTQRYW C40H56N12O12 896.4141 NA PeJP NA NA +PJ070641 TCCKMRR C33H64N14O9S3 896.4143 NA PeJP NA NA +PJ070642 TTTTTLEM C36H64N8O16S 896.4161 NA PeJP NA NA +PJ070643 GTTLLMMM C37H68N8O11S3 896.417 NA PeJP NA NA +PJ070644 GNKEMRY C37H60N12O12S 896.4175 NA PeJP NA NA +PJ070645 SQKYWW C45H56N10O10 896.4181 NA PeJP NA NA +PJ070646 AKMHHHH C38H56N16O8S 896.4188 NA PeJP NA NA +MJ097117 Maoecrystal M C48H64O16 896.419436 NA MeJP NA NA +MJ097118 Neoviridogrisein II; Chloro C44H61ClN8O10 896.419917 NA MeJP NA NA +PJ070647 SSSSSSSLR C33H60N12O17 896.42 NA PeJP NA NA +PJ070648 GSSTKMMR C34H64N12O12S2 896.4208 NA PeJP NA NA +PJ070649 GNEEHRR C34H56N16O13 896.4213 NA PeJP NA NA +PJ070650 LEMRYW C42H60N10O10S 896.4215 NA PeJP NA NA +PJ070651 PVFYWW C50H56N8O8 896.4221 NA PeJP NA NA +PJ070652 GPPFFFW C50H56N8O8 896.4222 NA PeJP NA NA +PJ070653 SSSTTTKW C38H60N10O15 896.424 NA PeJP NA NA +PJ070654 SSKKMMW C39H64N10O10S2 896.4249 NA PeJP NA NA +PJ070655 AAQEHRW C39H56N14O11 896.4253 NA PeJP NA NA +PJ070656 GGGVEHRW C39H56N14O11 896.4254 NA PeJP NA NA +PJ070657 VLMYWW C47H60N8O8S 896.4255 NA PeJP NA NA +PJ070658 SSSTKKEM C35H64N10O15S 896.4274 NA PeJP NA NA +PJ070659 SSLLEYW C43H60N8O13 896.428 NA PeJP NA NA +PJ070660 TQKKMMM C36H68N10O10S3 896.4282 NA PeJP NA NA +PJ070661 GSQMRRY C36H60N14O11S 896.4287 NA PeJP NA NA +PJ070662 GLLMMFW C44H64N8O8S2 896.4289 NA PeJP NA NA +PJ070663 GSPKHWW C44H56N12O9 896.4294 NA PeJP NA NA +PJ070664 VVKEEMY C40H64N8O13S 896.4314 NA PeJP NA NA +PJ070665 LLYYYY C48H60N6O11 896.432 NA PeJP NA NA +PJ070666 PLKMMMF C41H68N8O8S3 896.4323 NA PeJP NA NA +PJ070667 SNNNHRR C33H56N18O12 896.4325 NA PeJP NA NA +PJ070668 GGSNNHRR C33H56N18O12 896.4326 NA PeJP NA NA +PJ070669 NKMRYW C41H60N12O9S 896.4327 NA PeJP NA NA +PJ070670 STTTLLMM C37H68N8O13S2 896.4347 NA PeJP NA NA +PJ070671 SSQKERY C37H60N12O14 896.4352 NA PeJP NA NA +PJ070672 GGAALDKEH C37H60N12O14 896.4353 NA PeJP NA NA +PJ070673 LLKMMMM C38H72N8O8S4 896.4356 NA PeJP NA NA +PJ070674 PCCKKRY C38H64N12O9S2 896.4361 NA PeJP NA NA +PJ070675 NEHRRW C38H56N16O10 896.4366 NA PeJP NA NA +PJ070676 CKKFWW C46H60N10O7S 896.4368 NA PeJP NA NA +PJ070677 SSSTTKMR C34H64N12O14S 896.4386 NA PeJP NA NA +PJ070678 ASDKKYW C42H60N10O12 896.4392 NA PeJP NA NA +PJ070679 GSKKEYW C42H60N10O12 896.4393 NA PeJP NA NA +PJ070680 TCKKMMR C35H68N12O9S3 896.4395 NA PeJP NA NA +PJ070681 GSCRRRY C35H60N16O10S 896.4399 NA PeJP NA NA +PJ070682 GGSPMHRR C35H60N16O10S 896.44 NA PeJP NA NA +MJ097119 Spirosta-5,25(27)-diene-1,3,23-triol, 1-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] C45H68O18 896.440565 NA MeJP NA NA +PJ070683 VNHRWW C43H56N14O8 896.4406 NA PeJP NA NA +PJ070684 SVLEMRY C39H64N10O12S 896.4426 NA PeJP NA NA +PJ070685 GPVLYYW C47H60N8O10 896.4433 NA PeJP NA NA +PJ070686 APCKHRW C40H60N14O8S 896.444 NA PeJP NA NA +PJ070687 SSSSSTTLK C35H64N10O17 896.4451 NA PeJP NA NA +PJ070688 GTTTKKMM C36H68N10O12S2 896.446 NA PeJP NA NA +PJ070689 SSTQRRY C36H60N14O13 896.4465 NA PeJP NA NA +PJ070690 ATLLMYW C44H64N8O10S 896.4466 NA PeJP NA NA +PJ070691 GGPLLMFY C44H64N8O10S 896.4467 NA PeJP NA NA +PJ070692 GCKMFRR C37H64N14O8S2 896.4473 NA PeJP NA NA +PJ070693 GTTTLLEY C40H64N8O15 896.4491 NA PeJP NA NA +PJ070694 APPLLEEE C40H64N8O15 896.4492 NA PeJP NA NA +PJ070695 VLLQMMY C41H68N8O10S2 896.45 NA PeJP NA NA +PJ070696 GSTKRYW C41H60N12O11 896.4505 NA PeJP NA NA +PJ070697 GHRRWW C42H56N16O7 896.4518 NA PeJP NA NA +PJ070698 ATQKMRY C38H64N12O11S 896.4538 NA PeJP NA NA +PJ070699 GDKKMRY C38H64N12O11S 896.4539 NA PeJP NA NA +PJ070700 SKKYWW C46H60N10O9 896.4545 NA PeJP NA NA +PJ070701 GDKEHRR C35H60N16O12 896.4577 NA PeJP NA NA +PJ070702 AAKKMYW C43H64N10O9S 896.4579 NA PeJP NA NA +PJ070703 VLFFWW C51H60N8O7 896.4585 NA PeJP NA NA +PJ070704 SDKKKEY C39H64N10O14 896.4604 NA PeJP NA NA +PJ070705 ALLMMRY C40H68N10O9S2 896.4612 NA PeJP NA NA +PJ070706 VVVMMRY C40H68N10O9S2 896.4613 NA PeJP NA NA +MJ097120 1-Dodecanol; O-[?-L-Rhamnopyranosyl-(1?3)-2,4-di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] C42H72O20 896.461694 NA MeJP NA NA +PJ070707 GPPERRW C40H60N14O10 896.4617 NA PeJP NA NA +PJ070708 STTTTKKM C36H68N10O14S 896.4637 NA PeJP NA NA +PJ070709 TTTLLYW C44H64N8O12 896.4644 NA PeJP NA NA +PJ070710 TKKKMMM C37H72N10O9S3 896.4646 NA PeJP NA NA +PJ070711 GSKMRRY C37H64N14O10S 896.4651 NA PeJP NA NA +PJ070712 LQKHWW C45H60N12O8 896.4657 NA PeJP NA NA +PJ070713 GPPVRWW C45H60N12O8 896.4658 NA PeJP NA NA +PJ070714 TLLKEMY C41H68N8O12S 896.4678 NA PeJP NA NA +PJ070715 GSEHRRR C34H60N18O11 896.4689 NA PeJP NA NA +PJ070716 APKKMHW C42H64N12O8S 896.4691 NA PeJP NA NA +PJ070717 SSKKERY C38H64N12O13 896.4716 NA PeJP NA NA +PJ070718 GGGGGGGGPVLL C38H64N12O13 896.4717 NA PeJP NA NA +PJ070719 GKKMMFR C39H68N12O8S2 896.4725 NA PeJP NA NA +PJ070720 DKHRRW C39H60N16O9 896.473 NA PeJP NA NA +PJ070721 ATTKKYW C43H64N10O11 896.4756 NA PeJP NA NA +PJ070722 AAPPVKEW C43H64N10O11 896.4757 NA PeJP NA NA +PJ070723 GLQMHRR C36H64N16O9S 896.4763 NA PeJP NA NA +MJ097121 2,3-Dihydroxy-12,20(30)-ursadien-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] C46H72O17 896.47695 NA MeJP NA NA +MJ097122 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-xylopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C46H72O17 896.47695 NA MeJP NA NA +MJ097123 3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?3)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester C46H72O17 896.47695 NA MeJP NA NA +MJ097124 3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C46H72O17 896.47695 NA MeJP NA NA +MJ097125 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-[?-D-xylopyranosyl-(1?2)]-?-D-glucuronopyranoside] C46H72O17 896.47695 NA MeJP NA NA +MJ097126 Spirost-5-en-3-ol, 3-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-apiofuranosyl-(1?4)]-?-D-glucopyranoside] C46H72O17 896.47695 NA MeJP NA NA +MJ097127 Spirost-5-en-3-ol, 3-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-D-glucopyranoside] C46H72O17 896.47695 NA MeJP NA NA +MJ097128 Spirost-5-ene-1,3-diol, 1-O-[?-D-Rhamnopyranosyl-(1?2)-[3-O-acetyl-?-D-xylopyranosyl-(1?3)]-?-D-fucopyranoside] C46H72O17 896.47695 NA MeJP NA NA +MJ097129 Spirost-5-ene-1,3-diol, 1-O-[2-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-fucopyranoside] C46H72O17 896.47695 NA MeJP NA NA +MJ097130 Spirost-5-ene-1,3-diol, 1-O-[3-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-fucopyranoside] C46H72O17 896.47695 NA MeJP NA NA +MJ097131 ?-Ilexanolic acid; 3-O-?-L-Arabinopyranoside, [?-D-xylopyranosyl-(1?6)-?-D-glucopyranosyl] ester C46H72O17 896.47695 NA MeJP NA NA +C17043 Ophiopogonin C C46H72O17 896.477 NA KEGG NA NA +PJ070724 PPRRWW C44H60N14O7 896.477 NA PeJP NA NA +PJ070725 TTLLMRY C40H68N10O11S 896.479 NA PeJP NA NA +PJ070726 GVLLFYW C48H64N8O9 896.4797 NA PeJP NA NA +5403 formaecin 1 GRPNPVNNKPTPHPRL 896.4813 MH2+ Inhouse_peptide NA peptide +PJ070727 SSTKRRY C37H64N14O12 896.4828 NA PeJP NA NA +PJ070728 PPDKERR C37H64N14O12 896.4829 NA PeJP NA NA +PJ070729 PVLKMFY C45H68N8O9S 896.483 NA PeJP NA NA +PJ070730 SHRRRW C38H60N18O8 896.4842 NA PeJP NA NA +PJ070731 SSTTLLLY C41H68N8O14 896.4855 NA PeJP NA NA +MJ097132 Lycogaride D C57H68O9 896.486333 NA MeJP NA NA +PJ070732 VLLKMMY C42H72N8O9S2 896.4864 NA PeJP NA NA +PJ070733 PPVDKRW C42H64N12O10 896.4869 NA PeJP NA NA +PJ070734 AAMHRRR C35H64N18O8S 896.4876 NA PeJP NA NA +PJ070735 ATKKMRY C39H68N12O10S 896.4902 NA PeJP NA NA +PJ070736 LLLDMHR C39H68N12O10S 896.4903 NA PeJP NA NA +PJ070737 APPLKWW C47H64N10O8 896.4909 NA PeJP NA NA +MJ097133 Brevetoxin B; 42-Alcohol C50H72O14 896.492207 NA MeJP NA NA +PJ070738 SPPERRR C36H64N16O11 896.4941 NA PeJP NA NA +PJ070739 VVLLMHW C44H68N10O8S 896.4943 NA PeJP NA NA +PJ070740 TTKKKEY C40H68N10O13 896.4968 NA PeJP NA NA +PJ070741 CLKKKMF C41H72N10O8S2 896.4976 NA PeJP NA NA +PJ070742 SPPVRRW C41H64N14O9 896.4981 NA PeJP NA NA +PJ070743 PTLLKYY C45H68N8O11 896.5008 NA PeJP NA NA +PJ070744 PPLQMRR C38H68N14O9S 896.5015 NA PeJP NA NA +PJ070745 LKKHWW C46H64N12O7 896.5021 NA PeJP NA NA +PJ070746 PPVVLLEM C42H72N8O11S 896.5042 NA PeJP NA NA +PJ070747 ATTHRRR C35H64N18O10 896.5053 NA PeJP NA NA +PJ070748 TTTKKRY C39H68N12O12 896.508 NA PeJP NA NA +PJ070749 VVLHHHR C40H64N16O8 896.5093 NA PeJP NA NA +PJ070750 GPKHFRR C40H64N16O8 896.5094 NA PeJP NA NA +PJ070751 PPLKKEW C44H68N10O10 896.512 NA PeJP NA NA +PJ070752 PPCLRRR C37H68N16O8S 896.5127 NA PeJP NA NA +C17548 Akeboside Ste C47H76O16 896.5133 NA KEGG NA NA +MJ097134 12-Oleanene-3,22-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside] C47H76O16 896.513336 NA MeJP NA NA +MJ097135 12-Oleanene-3,22-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?2)-?-D-glucuronopyranoside] C47H76O16 896.513336 NA MeJP NA NA +MJ097136 13,28-Epoxy-11-oleanene-3,16-diol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-fucopyranoside] C47H76O16 896.513336 NA MeJP NA NA +MJ097137 13,28-Epoxy-11-oleanene-3,23-diol, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C47H76O16 896.513336 NA MeJP NA NA +MJ097138 3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-[?-L-Arabinofuranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C47H76O16 896.513336 NA MeJP NA NA +MJ097139 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C47H76O16 896.513336 NA MeJP NA NA +MJ097140 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-arabinopyranoside] C47H76O16 896.513336 NA MeJP NA NA +MJ097141 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-xylopyranoside] C47H76O16 896.513336 NA MeJP NA NA +MJ097142 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?2)]-?-L-arabinopyranoside] C47H76O16 896.513336 NA MeJP NA NA +MJ097143 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranoside] C47H76O16 896.513336 NA MeJP NA NA +MJ097144 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C47H76O16 896.513336 NA MeJP NA NA +MJ097145 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C47H76O16 896.513336 NA MeJP NA NA +MJ097146 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-L-arabinopyranoside] C47H76O16 896.513336 NA MeJP NA NA +MJ097147 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O16 896.513336 NA MeJP NA NA +PJ070753 SLKKKMY C41H72N10O10S 896.5154 NA PeJP NA NA +PJ070754 PVLKFFF C49H68N8O8 896.5161 NA PeJP NA NA +PJ070755 PVLQERR C38H68N14O11 896.5192 NA PeJP NA NA +PJ070756 GGPLLERR C38H68N14O11 896.5193 NA PeJP NA NA +PJ070757 VLLKMFF C46H72N8O8S 896.5194 NA PeJP NA NA +PJ070758 APLLLLEE C42H72N8O13 896.5219 NA PeJP NA NA +PJ070759 PPTLKRW C43H68N12O9 896.5233 NA PeJP NA NA +PJ070760 GPPVLKMR C40H72N12O9S 896.5266 NA PeJP NA NA +PJ070761 APLERRR C37H68N16O10 896.5305 NA PeJP NA NA +PJ070762 STTILLLH C41H72N10O12 896.5331 NA PeJP NA NA +PJ070763 STTLLLLH C41H72N10O12 896.5332 NA PeJP NA NA +PJ070764 GPLLRRW C42H68N14O8 896.5345 NA PeJP NA NA +PJ070765 VVLLKYY C46H72N8O10 896.5372 NA PeJP NA NA +PJ070766 PPLKMRR C39H72N14O8S 896.5379 NA PeJP NA NA +PJ070767 PPTLLLLM C43H76N8O10S 896.5406 NA PeJP NA NA +PJ070768 GPQKRRR C36H68N18O9 896.5417 NA PeJP NA NA +PJ070769 AAPLLKER C40H72N12O11 896.5444 NA PeJP NA NA +PJ070770 PLLLQKW C45H72N10O9 896.5484 NA PeJP NA NA +MJ097148 Endusamycin; 27?-Methoxy C48H80O15 896.549721 NA MeJP NA NA +MJ097149 Eupha-7,24-diene-3,11,23-triol, 3,23-Di-O-?-L-rhamnopyranoside, 11-O-6-deoxy-?-D-galactopyranoside C48H80O15 896.549721 NA MeJP NA NA +PJ070771 APPLLKKM C42H76N10O9S 896.5518 NA PeJP NA NA +MJ097150 Ritterazine B; 12-Ketone C54H76N2O9 896.555082 NA MeJP NA NA +MJ097151 Ritterazine B; 14,15-Didehydro, 22-epimer C54H76N2O9 896.555082 NA MeJP NA NA +MJ097152 Ritterazine J; 7',17-Dideoxy C54H76N2O9 896.555082 NA MeJP NA NA +MJ097153 Ritterazine U C54H76N2O9 896.555082 NA MeJP NA NA +MJ097154 Ritterazine V C54H76N2O9 896.555082 NA MeJP NA NA +PJ070772 PVLKERR C39H72N14O10 896.5556 NA PeJP NA NA +PJ070773 SPLLLLLE C43H76N8O12 896.5583 NA PeJP NA NA +PJ070774 PVVLKRW C44H72N12O8 896.5597 NA PeJP NA NA +PJ070775 LLKKKMH C41H76N12O8S 896.563 NA PeJP NA NA +PJ070776 SPLLRRR C38H72N16O9 896.5669 NA PeJP NA NA +PJ070777 APVLLKKE C42H76N10O11 896.5695 NA PeJP NA NA +MJ097155 Antibiotic LI-F; Antibiotic LI-F04B C42H76N10O11 896.569503 NA MeJP NA NA +MJ097156 Antibiotic LI-F; Antibiotic LI-F05A C42H76N10O11 896.569503 NA MeJP NA NA +MJ097157 Antibiotic LI-F; Antibiotic LI-F06A C42H76N10O11 896.569503 NA MeJP NA NA +PJ070778 GPLLLKKE C42H76N10O11 896.5696 NA PeJP NA NA +PJ070779 PPVVLLLF C47H76N8O9 896.5736 NA PeJP NA NA +PJ070780 PVVLLLLM C44H80N8O9S 896.5769 NA PeJP NA NA +PJ070781 GPKKRRR C37H72N18O8 896.5781 NA PeJP NA NA +PJ070782 GPTLLLKR C41H76N12O10 896.5808 NA PeJP NA NA +PJ070783 PLLLKKW C46H76N10O8 896.5848 NA PeJP NA NA +PJ070784 VLLLQRR C40H76N14O9 896.592 NA PeJP NA NA +PJ070785 ALLLLLLE C44H80N8O11 896.5947 NA PeJP NA NA +PJ070786 VVVLRRR C39H76N16O8 896.6032 NA PeJP NA NA +PJ070787 ALLLRRR C39H76N16O8 896.6033 NA PeJP NA NA +PJ070788 SPVLLLKK C43H80N10O10 896.6059 NA PeJP NA NA +PJ070789 AALLLLKR C42H80N12O9 896.6172 NA PeJP NA NA +PJ070790 VLLLKRR C41H80N14O8 896.6284 NA PeJP NA NA +PJ070791 SLLLLLLL C45H84N8O10 896.6311 NA PeJP NA NA +PJ070792 GLLLLLKK C44H84N10O9 896.6423 NA PeJP NA NA +3935 aurein 3,1 GLFDIVKKIAGHIAGGSI~ 897.01745 MH2+ Inhouse_peptide NA peptide +C00904 Citramalyl-CoA C26H42N7O20P3S 897.1418 NA KEGG NA NA +C01011 (3S)-Citramalyl-CoA C26H42N7O20P3S 897.1418 NA KEGG NA NA +C03058 2-Hydroxyglutaryl-CoA C26H42N7O20P3S 897.1418 NA KEGG NA NA +C06027 L-erythro-3-Methylmalyl-CoA C26H42N7O20P3S 897.1418 NA KEGG NA NA +MJ097158 (3S)-Citramalyl-CoA C26H42N7O20P3S 897.141817 NA MeJP NA NA +MJ097159 2-Hydroxyglutaryl-CoA C26H42N7O20P3S 897.141817 NA MeJP NA NA +MetaCyc04269 (3S)-Citramalyl-CoA [L-Citramalyl-CoA;] C26H42N7O20P3S1 897.141817 NA metacyc NA NA +MetaCyc04270 citramalyl-CoA [] C26H42N7O20P3S1 897.141817 NA metacyc NA NA +MetaCyc04271 (R)-2-hydroxyglutaryl-CoA [2-hydroxyglutaryl-CoA;] C26H42N7O20P3S1 897.141817 NA metacyc NA NA +HMDB06345 L-Citramalyl-CoA C26H42N7O20P3S 897.141846 NA HMDB2010 NA NA +HMDB06345 L-Citramalyl-CoA C26H42N7O20P3S 897.14185 http://www.hmdb.ca/metabolites/HMDB06345 HMDB NA NA +HMDB06345 L-Citramalyl-CoA C26H42N7O20P3S 897.14185 HMDB06345 PFEM_hmdb_metabocards_official NA NA +PJ070793 GTCCCCCCC C27H47N9O11S7 897.144 NA PeJP NA NA +MJ097160 Cinnamoyl-CoA C30H42N7O17P3S 897.157073 NA MeJP NA NA +MetaCyc04272 cinnamyl-CoA [] C30H42N7O17P3S1 897.157073 NA metacyc NA NA +MetaCyc04273 (E)-cinnamoyl-CoA [] C30H42N7O17P3S1 897.157073 NA metacyc NA NA +C00540 Cinnamoyl-CoA C30H42N7O17P3S 897.1571 NA KEGG NA NA +C16256 (E)-Cinnamoyl-CoA C30H42N7O17P3S 897.1571 NA KEGG NA NA +PJ070794 SSSCCCCCC C27H47N9O13S6 897.1618 NA PeJP NA NA +PJ070795 CCCCCCNF C31H47N9O10S6 897.1771 NA PeJP NA NA +PJ070796 SCCCCCNY C31H47N9O12S5 897.1948 NA PeJP NA NA +PJ070797 SCCCCNEH C30H47N11O13S4 897.2238 NA PeJP NA NA +PJ070798 SCNDDDDD C30H43N9O21S 897.2295 NA PeJP NA NA +PJ070799 PCCCNDDE C31H47N9O16S3 897.2303 NA PeJP NA NA +PJ070800 CCCDEYY C36H47N7O14S3 897.2343 NA PeJP NA NA +PJ070801 GSCCCCHW C34H47N11O10S4 897.2391 NA PeJP NA NA +PJ070802 GSSSCCCDH C30H47N11O15S3 897.2416 NA PeJP NA NA +PJ070803 GCCCNMMH C31H51N11O10S5 897.2424 NA PeJP NA NA +PJ070804 GPCCCDDW C35H47N9O13S3 897.2456 NA PeJP NA NA +MJ097161 Simocyclinone D4 C46H43NO18 897.248013 NA MeJP NA NA +PJ070805 GCNDDDEM C31H47N9O18S2 897.2481 NA PeJP NA NA +PJ070806 GSPPCCCCE C32H51N9O13S4 897.249 NA PeJP NA NA +PJ070807 CCCNNNNN C29H47N13O14S3 897.2528 NA PeJP NA NA +PJ070808 CCCEMFY C37H51N7O11S4 897.253 NA PeJP NA NA +PJ070809 ACCCCCHR C30H51N13O9S5 897.2537 NA PeJP NA NA +PJ070810 GCCCNDHF C34H47N11O12S3 897.2568 NA PeJP NA NA +PJ070811 GCCDDDDR C30H47N11O17S2 897.2593 NA PeJP NA NA +PJ070812 SSCCCQMH C31H51N11O12S4 897.2602 NA PeJP NA NA +PJ070813 CNDDDMW C35H47N9O15S2 897.2633 NA PeJP NA NA +PJ070814 GGCDDDMW C35H47N9O15S2 897.2634 NA PeJP NA NA +PJ070815 SPPCCCCW C36H51N9O10S4 897.2642 NA PeJP NA NA +PJ070816 SSNDDDDM C31H47N9O20S 897.2658 NA PeJP NA NA +PJ070817 GGSSDDDDM C31H47N9O20S 897.2659 NA PeJP NA NA +PJ070818 SPCCNDEM C32H51N9O15S3 897.2667 NA PeJP NA NA +PJ070819 CDMMMMH C33H55N9O10S5 897.2676 NA PeJP NA NA +PJ070820 SCCEMYY C37H51N7O13S3 897.2707 NA PeJP NA NA +PJ070821 SSCCCCHR C30H51N13O11S4 897.2714 NA PeJP NA NA +PJ070822 DDEEEMM C33H51N7O18S2 897.2732 NA PeJP NA NA +PJ070823 GSCCNNDW C34H47N11O14S2 897.2746 NA PeJP NA NA +PJ070824 GSSSCNNDD C30H47N11O19S 897.2771 NA PeJP NA NA +PJ070825 GSSSSCCMH C31H51N11O14S3 897.2779 NA PeJP NA NA +PJ070826 SPCCCDDR C31H51N11O14S3 897.278 NA PeJP NA NA +PJ070827 GCCDEWW C39H47N9O12S2 897.2786 NA PeJP NA NA +PJ070828 ACCCCKMH C32H55N11O9S5 897.2788 NA PeJP NA NA +PJ070829 GSSCDDEW C35H47N9O17S 897.2811 NA PeJP NA NA +PJ070830 GSPCCDMW C36H51N9O12S3 897.282 NA PeJP NA NA +PJ070831 GSSSSDDDE C31H47N9O22 897.2836 NA PeJP NA NA +PJ070832 GSNDDEMM C32H51N9O17S2 897.2845 NA PeJP NA NA +PJ070833 GCDDYYY C40H47N7O15S 897.2851 NA PeJP NA NA +PJ070834 GPCNDMMM C33H55N9O12S4 897.2853 NA PeJP NA NA +PJ070835 GGAPCCEMM C33H55N9O12S4 897.2854 NA PeJP NA NA +PJ070836 PCCCFYY C41H51N7O10S3 897.286 NA PeJP NA NA +PJ070837 CCMMHHH C34H51N13O8S4 897.2867 NA PeJP NA NA +PJ070838 DDDEEEF C36H47N7O20 897.2876 NA PeJP NA NA +PJ070839 GCCCNNER C30H51N13O13S3 897.2892 NA PeJP NA NA +PJ070840 GCMMMYY C38H55N7O10S4 897.2894 NA PeJP NA NA +PJ070841 GCNNNDDF C34H47N11O16S 897.2923 NA PeJP NA NA +PJ070842 GGGGGCNDDF C34H47N11O16S 897.2924 NA PeJP NA NA +PJ070843 CCNNQMW C35H51N11O11S3 897.2932 NA PeJP NA NA +PJ070844 CCDWWW C43H47N9O9S2 897.2939 NA PeJP NA NA +PJ070845 GSCDDDMR C31H51N11O16S2 897.2957 NA PeJP NA NA +PJ070846 SSCDDWW C39H47N9O14S 897.2963 NA PeJP NA NA +PJ070847 CDDDHFF C39H47N9O14S 897.2964 NA PeJP NA NA +PJ070848 GPCCCEMR C32H55N11O11S4 897.2966 NA PeJP NA NA +PJ070849 GCCNNNHH C32H47N15O12S2 897.297 NA PeJP NA NA +PJ070850 GGGCCNNHH C32H47N15O12S2 897.2971 NA PeJP NA NA +PJ070851 PTCCCWW C40H51N9O9S3 897.2972 NA PeJP NA NA +PJ070852 SSSSDDDW C35H47N9O19 897.2988 NA PeJP NA NA +PJ070853 GGNDDEEY C35H47N9O19 897.2989 NA PeJP NA NA +PJ070854 SNDDMMW C36H51N9O14S2 897.2997 NA PeJP NA NA +PJ070855 PCCQMMW C37H55N9O9S4 897.3006 NA PeJP NA NA +PJ070856 CCDHHHF C37H47N13O10S2 897.3011 NA PeJP NA NA +PJ070857 SSSNDEEM C32H51N9O19S 897.3022 NA PeJP NA NA +PJ070858 NNEEMMM C33H55N9O14S3 897.3031 NA PeJP NA NA +PJ070859 GSCNDEHH C33H47N13O15S 897.3036 NA PeJP NA NA +PJ070860 SPCCYYY C41H51N7O12S2 897.3037 NA PeJP NA NA +PJ070861 SMMMMMH C34H59N9O9S5 897.304 NA PeJP NA NA +PJ070862 CCCNNRW C34H51N13O10S3 897.3044 NA PeJP NA NA +PJ070863 GGGGCCCRW C34H51N13O10S3 897.3045 NA PeJP NA NA +PJ070864 PDDEEMY C37H51N7O17S 897.3063 NA PeJP NA NA +PJ070865 SSCCNNDR C30H51N13O15S2 897.3069 NA PeJP NA NA +PJ070866 GGGGSSCCDR C30H51N13O15S2 897.307 NA PeJP NA NA +PJ070867 STCMMYY C38H55N7O12S3 897.3071 NA PeJP NA NA +PJ070868 TEEEEMM C34H55N7O17S2 897.3096 NA PeJP NA NA +PJ070869 GSNNNDDY C34H47N11O18 897.3101 NA PeJP NA NA +PJ070870 PEEMMMM C35H59N7O12S4 897.3105 NA PeJP NA NA +PJ070871 SCCDERW C35H51N11O13S2 897.311 NA PeJP NA NA +PJ070872 PCCCMRW C36H55N11O8S4 897.3118 NA PeJP NA NA +PJ070873 ASSSSCNNE C31H51N11O18S 897.3134 NA PeJP NA NA +PJ070874 SSSCDDER C31H51N11O18S 897.3135 NA PeJP NA NA +PJ070875 GNDDEYW C39H47N9O16 897.3141 NA PeJP NA NA +PJ070876 CNDEMMR C32H55N11O13S3 897.3143 NA PeJP NA NA +PJ070877 GGGGGGGSMMM C32H55N11O13S3 897.3144 NA PeJP NA NA +PJ070878 GSCEMWW C40H51N9O11S2 897.315 NA PeJP NA NA +PJ070879 GSSSDEMW C36H51N9O16S 897.3175 NA PeJP NA NA +PJ070880 ANDMMMW C37H55N9O11S3 897.3183 NA PeJP NA NA +PJ070881 GNEMMMW C37H55N9O11S3 897.3184 NA PeJP NA NA +PJ070882 SCNDHHW C37H47N13O12S 897.3188 NA PeJP NA NA +PJ070883 GSSSSSEEE C32H51N9O21 897.32 NA PeJP NA NA +PJ070884 STCCLDQE C33H55N9O16S2 897.3208 NA PeJP NA NA +PJ070885 GSSQEEMM C33H55N9O16S2 897.3209 NA PeJP NA NA +PJ070886 SSSNDDHH C33H47N13O17 897.3213 NA PeJP NA NA +PJ070887 GSDMYYY C41H51N7O14S 897.3215 NA PeJP NA NA +PJ070888 GSPNMMMM C34H59N9O11S4 897.3217 NA PeJP NA NA +PJ070889 NNDMMHH C34H51N13O12S2 897.3222 NA PeJP NA NA +PJ070890 GCMMFFY C42H55N7O9S3 897.3224 NA PeJP NA NA +PJ070891 AEEEEEY C37H51N7O19 897.324 NA PeJP NA NA +PJ070892 PDEEMMF C38H55N7O14S2 897.3249 NA PeJP NA NA +PJ070893 PNDDDHW C38H47N11O15 897.3254 NA PeJP NA NA +PJ070894 CCDDMRR C31H55N13O12S3 897.3256 NA PeJP NA NA +PJ070895 CCNQHFF C39H51N11O10S2 897.3262 NA PeJP NA NA +PJ070896 VEEEMMM C35H59N7O14S3 897.3282 NA PeJP NA NA +PJ070897 LDEEMMM C35H59N7O14S3 897.3283 NA PeJP NA NA +PJ070898 SSSSCNQW C35H51N11O15S 897.3287 NA PeJP NA NA +PJ070899 NDDYWW C43H47N9O13 897.3294 NA PeJP NA NA +PJ070900 GCDMMRW C36H55N11O10S3 897.3296 NA PeJP NA NA +PJ070901 SCMWWW C44H51N9O8S2 897.3302 NA PeJP NA NA +PJ070902 SSSSSSNNE C31H51N11O20 897.3312 NA PeJP NA NA +PJ070903 GSSDDMMR C32H55N11O15S2 897.3321 NA PeJP NA NA +PJ070904 GNNNNNDH C32H47N15O16 897.3326 NA PeJP NA NA +PJ070905 SSSDMWW C40H51N9O13S 897.3327 NA PeJP NA NA +MJ097162 Mureidomycin A; N13-Glycyl C40H51N9O13S 897.332703 NA MeJP NA NA +PJ070906 GGGDEMFW C40H51N9O13S 897.3328 NA PeJP NA NA +PJ070907 GPTCCMMR C33H59N11O10S4 897.333 NA PeJP NA NA +PJ070908 CCNEHHR C33H51N15O11S2 897.3334 NA PeJP NA NA +PJ070909 NMMMWW C41H55N9O8S3 897.3336 NA PeJP NA NA +PJ070910 SSSSSEEW C36H51N9O18 897.3352 NA PeJP NA NA +PJ070911 GGGGTEEEY C36H51N9O18 897.3353 NA PeJP NA NA +PJ070912 SSQEMMW C37H55N9O13S2 897.3361 NA PeJP NA NA +PJ070913 NNDDHHF C37H47N13O14 897.3366 NA PeJP NA NA +PJ070914 TCYYYW C45H51N7O11S 897.3367 NA PeJP NA NA +PJ070915 GCDFFFY C45H51N7O11S 897.3368 NA PeJP NA NA +PJ070916 PCCKMMW C38H59N9O8S4 897.337 NA PeJP NA NA +PJ070917 ACNMHHW C38H51N13O9S2 897.3374 NA PeJP NA NA +PJ070918 GCQMHHW C38H51N13O9S2 897.3375 NA PeJP NA NA +PJ070919 SSSTQEEM C33H55N9O18S 897.3386 NA PeJP NA NA +PJ070920 SSSEYYY C41H51N7O16 897.3392 NA PeJP NA NA +PJ070921 PPDDEYY C41H51N7O16 897.3393 NA PeJP NA NA +PJ070922 NDKEMMM C34H59N9O13S3 897.3395 NA PeJP NA NA +PJ070923 CNNNDRY C34H51N13O14S 897.3399 NA PeJP NA NA +PJ070924 GGCNNDRY C34H51N13O14S 897.34 NA PeJP NA NA +PJ070925 QMMYYY C42H55N7O11S2 897.3401 NA PeJP NA NA +PJ070926 APCCCKHH C35H55N13O9S3 897.3408 NA PeJP NA NA +PJ070927 CNNHHHH C35H47N17O10S 897.3413 NA PeJP NA NA +MJ097163 Altromycin A; N3'-De-Me C45H55NO18 897.341913 NA MeJP NA NA +PJ070928 PTEEEMY C38H55N7O16S 897.3426 NA PeJP NA NA +PJ070929 SSSCNNMR C31H55N13O14S2 897.3433 NA PeJP NA NA +PJ070930 PPEMMMY C39H59N7O11S3 897.3435 NA PeJP NA NA +PJ070931 GNNNMYW C39H51N11O12S 897.344 NA PeJP NA NA +PJ070932 GSSSSSSNW C35H51N11O17 897.3465 NA PeJP NA NA +PJ070933 SSCEMRW C36H55N11O12S2 897.3473 NA PeJP NA NA +PJ070934 GGPCDMRY C36H55N11O12S2 897.3474 NA PeJP NA NA +PJ070935 SDEHHHH C36H47N15O13 897.3478 NA PeJP NA NA +PJ070936 GSPCYWW C44H51N9O10S 897.348 NA PeJP NA NA +PJ070937 GCCHHRW C37H51N15O8S2 897.3487 NA PeJP NA NA +PJ070938 SSSSDEMR C32H55N11O17S 897.3498 NA PeJP NA NA +PJ070939 GGGGGSSSTTM C32H55N11O17S 897.3499 NA PeJP NA NA +PJ070940 GSQEEYW C40H51N9O15 897.3505 NA PeJP NA NA +PJ070941 SNEMMMR C33H59N11O12S3 897.3507 NA PeJP NA NA +PJ070942 GSSCDHHR C33H51N15O13S 897.3512 NA PeJP NA NA +PJ070943 GSTMMWW C41H55N9O10S2 897.3514 NA PeJP NA NA +PJ070944 GSSTTEMW C37H55N9O15S 897.3539 NA PeJP NA NA +PJ070945 NEFYYY C45H51N7O13 897.3545 NA PeJP NA NA +PJ070946 GDKMMMW C38H59N9O10S3 897.3547 NA PeJP NA NA +PJ070947 GGGAPMMMF C38H59N9O10S3 897.3548 NA PeJP NA NA +PJ070948 SSNMHHW C38H51N13O11S 897.3552 NA PeJP NA NA +PJ070949 GCMFFFF C46H55N7O8S2 897.3554 NA PeJP NA NA +PJ070950 GSSSTTTEE C33H55N9O20 897.3564 NA PeJP NA NA +MJ097164 Taxol?; 10-De-Ac, 10-(3-hydroxybutanoyl) C49H55NO15 897.35717 NA MeJP NA NA +PJ070951 GSSKEEMM C34H59N9O15S2 897.3572 NA PeJP NA NA +PJ070952 GSPDDDHR C34H51N13O16 897.3577 NA PeJP NA NA +PJ070953 GGGGGGGGGGPPD C34H51N13O16 897.3578 NA PeJP NA NA +PJ070954 GTTMYYY C42H55N7O13S 897.3579 NA PeJP NA NA +PJ070955 VQQMMMM C35H63N9O10S4 897.3581 NA PeJP NA NA +PJ070956 CNNNMFR C35H55N13O11S2 897.3586 NA PeJP NA NA +PJ070957 SLEEEEY C38H55N7O18 897.3604 NA PeJP NA NA +PJ070958 GSSSSSCQR C31H55N13O16S 897.3611 NA PeJP NA NA +PJ070959 PVEEMMY C39H59N7O13S2 897.3613 NA PeJP NA NA +PJ070960 GSDDRYW C39H51N11O14 897.3617 NA PeJP NA NA +PJ070961 GGGGGGGGPYY C39H51N11O14 897.3618 NA PeJP NA NA +PJ070962 SCDMMRR C32H59N13O11S3 897.362 NA PeJP NA NA +PJ070963 APCCRYW C40H55N11O9S2 897.3626 NA PeJP NA NA +PJ070964 ACFWWW C48H51N9O7S 897.3632 NA PeJP NA NA +PJ070965 SSSSCNKW C36H55N11O14S 897.3651 NA PeJP NA NA +PJ070966 SQEYWW C44H51N9O12 897.3657 NA PeJP NA NA +PJ070967 GGTEYWW C44H51N9O12 897.3658 NA PeJP NA NA +PJ070968 GSMMMRW C37H59N11O9S3 897.366 NA PeJP NA NA +PJ070969 AEMHHHH C37H51N15O10S 897.3664 NA PeJP NA NA +PJ070970 VCEHHHH C37H51N15O10S 897.3665 NA PeJP NA NA +PJ070971 MMHFFW C45H55N9O7S2 897.3666 NA PeJP NA NA +PJ070972 SSSSSSNDK C32H55N11O19 897.3676 NA PeJP NA NA +PJ070973 GSSTEMMR C33H59N11O14S2 897.3685 NA PeJP NA NA +PJ070974 NNNDEHR C33H51N15O15 897.3689 NA PeJP NA NA +PJ070975 GGNNDEHR C33H51N15O15 897.369 NA PeJP NA NA +MJ097165 Callatostatin 5; 3-(trans-4-Hydroxy-L-proline) analogue C41H55N9O12S 897.369088 NA MeJP NA NA +PJ070976 SSTTMWW C41H55N9O12S 897.3691 NA PeJP NA NA +PJ070977 AQMMMMR C34H63N11O9S4 897.3693 NA PeJP NA NA +PJ070978 GAAMMMMR C34H63N11O9S4 897.3694 NA PeJP NA NA +PJ070979 GFYYYW C49H51N7O10 897.3698 NA PeJP NA NA +PJ070980 ACHHHFF C42H51N13O8S 897.3705 NA PeJP NA NA +PJ070981 SSSTTTEW C37H55N9O17 897.3716 NA PeJP NA NA +PJ070982 SSKEMMW C38H59N9O12S2 897.3725 NA PeJP NA NA +PJ070983 GSSSTHHW C38H51N13O13 897.373 NA PeJP NA NA +PJ070984 QMFFYY C46H55N7O10S 897.3731 NA PeJP NA NA +PJ070985 PPCCHRW C39H55N13O8S2 897.3738 NA PeJP NA NA +PJ070986 SSSTKEEM C34H59N9O17S 897.375 NA PeJP NA NA +PJ070987 STTTYYY C42H55N7O15 897.3756 NA PeJP NA NA +PJ070988 PVDEEFY C42H55N7O15 897.3757 NA PeJP NA NA +PJ070989 TQKEMMM C35H63N9O12S3 897.3759 NA PeJP NA NA +PJ070990 GCDERRY C35H55N13O13S 897.3763 NA PeJP NA NA +PJ070991 GGGGGGSMRY C35H55N13O13S 897.3764 NA PeJP NA NA +PJ070992 KMMYYY C43H59N7O10S2 897.3765 NA PeJP NA NA +PJ070993 GSPEHWW C43H51N11O11 897.377 NA PeJP NA NA +PJ070994 SSSSSSSNR C31H55N13O18 897.3788 NA PeJP NA NA +PJ070995 VVEEEMY C39H59N7O15S 897.379 NA PeJP NA NA +PJ070996 SSSCCQKR C32H59N13O13S2 897.3797 NA PeJP NA NA +PJ070997 PLEMMMF C40H63N7O10S3 897.3799 NA PeJP NA NA +PJ070998 NEMRYW C40H55N11O11S 897.3804 NA PeJP NA NA +PJ070999 ACMMMRR C33H63N13O8S4 897.3806 NA PeJP NA NA +PJ071000 GTYWWW C48H51N9O9 897.381 NA PeJP NA NA +PJ071001 SCCHHRR C33H55N17O9S2 897.3811 NA PeJP NA NA +PJ071002 SSQEERY C36H55N11O16 897.3828 NA PeJP NA NA +PJ071003 GGSTEERY C36H55N11O16 897.3829 NA PeJP NA NA +PJ071004 LLEMMMM C37H67N7O10S4 897.3833 NA PeJP NA NA +PJ071005 SSTMMRW C37H59N11O11S2 897.3837 NA PeJP NA NA +PJ071006 GGGGGGKMMF C37H59N11O11S2 897.3838 NA PeJP NA NA +PJ071007 GNNDHRW C37H51N15O12 897.3842 NA PeJP NA NA +PJ071008 VNMYWW C45H55N9O9S 897.3844 NA PeJP NA NA +PJ071009 GHHHHHH C38H47N19O8 897.3856 NA PeJP NA NA +PJ071010 SSSTTEMR C33H59N11O16S 897.3862 NA PeJP NA NA +MJ097166 Citrusin IV C41H55N9O14 897.386847 NA MeJP NA NA +PJ071011 GSKEEYW C41H55N9O14 897.3869 NA PeJP NA NA +PJ071012 SDKMMMR C34H63N11O11S3 897.3871 NA PeJP NA NA +PJ071013 PCDDHRR C34H55N15O12S 897.3876 NA PeJP NA NA +PJ071014 APCKMYW C42H59N9O9S2 897.3877 NA PeJP NA NA +PJ071015 PVCCKYW C42H59N9O9S2 897.3878 NA PeJP NA NA +PJ071016 NQQHWW C42H51N13O10 897.3882 NA PeJP NA NA +PJ071017 SSSSTLMW C38H59N9O14S 897.3902 NA PeJP NA NA +PJ071018 AQKEEMY C38H59N9O14S 897.3903 NA PeJP NA NA +PJ071019 VQYYYY C46H55N7O12 897.3909 NA PeJP NA NA +PJ071020 ATKMMMW C39H63N9O9S3 897.3911 NA PeJP NA NA +PJ071021 CDRRYW C39H55N13O10S 897.3916 NA PeJP NA NA +PJ071022 SPHWWW C47H51N11O8 897.3922 NA PeJP NA NA +PJ071023 SSSSSTTLE C34H59N9O19 897.3927 NA PeJP NA NA +PJ071024 GTTTKEMM C35H63N9O14S2 897.3936 NA PeJP NA NA +PJ071025 SSDDRRY C35H55N13O15 897.3941 NA PeJP NA NA +PJ071026 PPVEMYY C43H59N7O12S 897.3943 NA PeJP NA NA +PJ071027 VQKMMMM C36H67N9O9S4 897.3945 NA PeJP NA NA +PJ071028 PTCCRRY C36H59N13O10S2 897.395 NA PeJP NA NA +PJ071029 GMRYWW C44H55N11O8S 897.3956 NA PeJP NA NA +PJ071030 GSSSSSCKR C32H59N13O15S 897.3975 NA PeJP NA NA +PJ071031 VLEEMMF C40H63N7O12S2 897.3976 NA PeJP NA NA +PJ071032 GSTERYW C40H55N11O13 897.3981 NA PeJP NA NA +PJ071033 SSMMMRR C33H63N13O10S3 897.3983 NA PeJP NA NA +PJ071034 QMMFRW C41H59N11O8S2 897.399 NA PeJP NA NA +PJ071035 GPQHHHW C41H51N15O9 897.3995 NA PeJP NA NA +PJ071036 GDKEMRY C37H59N11O13S 897.4015 NA PeJP NA NA +PJ071037 SKEYWW C45H55N9O11 897.4021 NA PeJP NA NA +PJ071038 GGGVEFFW C45H55N9O11 897.4022 NA PeJP NA NA +PJ071039 CCCKKKW C38H63N11O8S3 897.4024 NA PeJP NA NA +PJ071040 GNMHHFR C38H55N15O9S 897.4028 NA PeJP NA NA +PJ071041 SSSSSSTQK C33H59N11O18 897.404 NA PeJP NA NA +PJ071042 SSSSLMMR C34H63N11O13S2 897.4048 NA PeJP NA NA +PJ071043 GTTTTMMR C34H63N11O13S2 897.4049 NA PeJP NA NA +PJ071044 GDEEHRR C34H55N15O14 897.4053 NA PeJP NA NA +PJ071045 GGGGGATEHR C34H55N15O14 897.4054 NA PeJP NA NA +PJ071046 AAKEMYW C42H59N9O11S 897.4055 NA PeJP NA NA +PJ071047 AKMMMMR C35H67N11O8S4 897.4057 NA PeJP NA NA +PJ071048 QFFFFY C50H55N7O9 897.4062 NA PeJP NA NA +PJ071049 STTTTTTW C38H59N9O16 897.408 NA PeJP NA NA +PJ071050 TTTKMMW C39H63N9O11S2 897.4089 NA PeJP NA NA +PJ071051 SSPEHRW C39H55N13O12 897.4093 NA PeJP NA NA +PJ071052 AAEEHRW C39H55N13O12 897.4094 NA PeJP NA NA +PJ071053 KMFFYY C47H59N7O9S 897.4095 NA PeJP NA NA +PJ071054 CMFRRW C40H59N13O7S2 897.4102 NA PeJP NA NA +PJ071055 PPHHHHH C40H51N17O8 897.4107 NA PeJP NA NA +PJ071056 STTTTKEM C35H63N9O16S 897.4114 NA PeJP NA NA +PJ071057 PVVEEYY C43H59N7O14 897.412 NA PeJP NA NA +PJ071058 TKKEMMM C36H67N9O11S3 897.4122 NA PeJP NA NA +PJ071059 GSTLKMMM C36H67N9O11S3 897.4123 NA PeJP NA NA +PJ071060 GSEMRRY C36H59N13O12S 897.4127 NA PeJP NA NA +PJ071061 GGGGGGGVLMH C36H59N13O12S 897.4128 NA PeJP NA NA +PJ071062 PPLMMFY C44H63N7O9S2 897.4129 NA PeJP NA NA +PJ071063 STRYWW C44H55N11O10 897.4134 NA PeJP NA NA +PJ071064 TLLEEMY C40H63N7O14S 897.4154 NA PeJP NA NA +PJ071065 SSSCCKKR C33H63N13O12S2 897.4161 NA PeJP NA NA +PJ071066 PLLMMMY C41H67N7O9S3 897.4163 NA PeJP NA NA +PJ071067 SNNDHRR C33H55N17O13 897.4166 NA PeJP NA NA +PJ071068 DKMRYW C41H59N11O10S 897.4167 NA PeJP NA NA +PJ071069 GGGCKKYW C41H59N11O10S 897.4168 NA PeJP NA NA +PJ071070 VNFFWW C49H55N9O8 897.4174 NA PeJP NA NA +PJ071071 SSKEERY C37H59N11O15 897.4192 NA PeJP NA NA +PJ071072 GGGSSDKKY C37H59N11O15 897.4193 NA PeJP NA NA +PJ071073 GLQMMRY C38H63N11O10S2 897.4201 NA PeJP NA NA +PJ071074 DEHRRW C38H55N15O11 897.4206 NA PeJP NA NA +PJ071075 CLKYWW C46H59N9O8S 897.4208 NA PeJP NA NA +PJ071076 STTTTTMR C34H63N11O15S 897.4226 NA PeJP NA NA +PJ071077 VTTTQYW C42H59N9O13 897.4232 NA PeJP NA NA +PJ071078 ATTKEYW C42H59N9O13 897.4233 NA PeJP NA NA +PJ071079 TTKMMMR C35H67N11O10S3 897.4235 NA PeJP NA NA +PJ071080 AQQQMHR C35H59N15O11S 897.4239 NA PeJP NA NA +PJ071081 SPDMHRR C35H59N15O11S 897.424 NA PeJP NA NA +PJ071082 GVKMMFW C43H63N9O8S2 897.4241 NA PeJP NA NA +PJ071083 VDHRWW C43H55N13O9 897.4246 NA PeJP NA NA +PJ071084 AKKEEMY C39H63N9O13S 897.4266 NA PeJP NA NA +PJ071085 APPPKEEM C39H63N9O13S 897.4267 NA PeJP NA NA +PJ071086 VKYYYY C47H59N7O11 897.4273 NA PeJP NA NA +PJ071087 SMRRYW C40H59N13O9S 897.428 NA PeJP NA NA +PJ071088 ALHWWW C48H55N11O7 897.4286 NA PeJP NA NA +PJ071089 SSSTTTTTL C35H63N9O18 897.4291 NA PeJP NA NA +PJ071090 SSTTLKMM C36H67N9O13S2 897.43 NA PeJP NA NA +PJ071091 SSTERRY C36H59N13O14 897.4305 NA PeJP NA NA +PJ071092 PVLEMFY C44H63N7O11S 897.4307 NA PeJP NA NA +PJ071093 VKKMMMM C37H71N9O8S4 897.4309 NA PeJP NA NA +PJ071094 AVCMRRY C37H63N13O9S2 897.4313 NA PeJP NA NA +PJ071095 AAMMRRY C37H63N13O9S2 897.4314 NA PeJP NA NA +PJ071096 SPQHHHR C37H55N17O10 897.4318 NA PeJP NA NA +PJ071097 VLLEMMY C41H67N7O11S2 897.434 NA PeJP NA NA +PJ071098 SSSLRYW C41H59N11O12 897.4345 NA PeJP NA NA +PJ071099 GNQMHRR C34H59N17O10S 897.4352 NA PeJP NA NA +PJ071100 KMMFRW C42H63N11O7S2 897.4354 NA PeJP NA NA +PJ071101 GPKHHHW C42H55N15O8 897.4359 NA PeJP NA NA +PJ071102 ATKEMRY C38H63N11O12S 897.4379 NA PeJP NA NA +PJ071103 APPLEWW C46H59N9O10 897.4385 NA PeJP NA NA +PJ071104 ACKHHFR C39H59N15O8S 897.4392 NA PeJP NA NA +PJ071105 SSSSSSTKK C34H63N11O17 897.4404 NA PeJP NA NA +PJ071106 SSSCKKKM C35H67N11O12S2 897.4412 NA PeJP NA NA +PJ071107 ATEEHRR C35H59N15O13 897.4417 NA PeJP NA NA +PJ071108 GGGGGGGGGPLR C35H59N15O13 897.4418 NA PeJP NA NA +PJ071109 GTLKMYW C43H63N9O10S 897.4419 NA PeJP NA NA +PJ071110 KFFFFY C51H59N7O8 897.4425 NA PeJP NA NA +PJ071111 APMMHRR C36H63N15O8S2 897.4426 NA PeJP NA NA +PJ071112 TTKKEEY C39H63N9O15 897.4444 NA PeJP NA NA +PJ071113 PTKKMMY C40H67N9O10S2 897.4453 NA PeJP NA NA +PJ071114 GTLEHRW C40H59N13O11 897.4457 NA PeJP NA NA +PJ071115 GGAASPPRW C40H59N13O11 897.4458 NA PeJP NA NA +PJ071116 PPLMFFF C48H63N7O8S 897.4459 NA PeJP NA NA +PJ071117 GCNHRRR C33H59N19O9S 897.4464 NA PeJP NA NA +PJ071118 PTLLEYY C44H63N7O13 897.4484 NA PeJP NA NA +PJ071119 ATTMRRY C37H63N13O11S 897.4491 NA PeJP NA NA +PJ071120 PLLMMFF C45H67N7O8S2 897.4493 NA PeJP NA NA +PJ071121 LKEHWW C45H59N11O9 897.4498 NA PeJP NA NA +PJ071122 LLLMMMF C42H71N7O8S3 897.4527 NA PeJP NA NA +PJ071123 SSQQHRR C34H59N17O12 897.4529 NA PeJP NA NA +PJ071124 GGSTQHRR C34H59N17O12 897.453 NA PeJP NA NA +PJ071125 SPLKMHW C42H63N11O9S 897.4531 NA PeJP NA NA +PJ071126 TTTKERY C38H63N11O14 897.4556 NA PeJP NA NA +PJ071127 GGAPPDKKE C38H63N11O14 897.4557 NA PeJP NA NA +PJ071128 GLKMMRY C39H67N11O9S2 897.4565 NA PeJP NA NA +PJ071129 GSQKHRW C39H59N15O10 897.457 NA PeJP NA NA +PJ071130 STTLKYW C43H63N9O12 897.4596 NA PeJP NA NA +PJ071131 PPLKEEW C43H63N9O12 897.4597 NA PeJP NA NA +PJ071132 PTTMHRR C36H63N15O10S 897.4603 NA PeJP NA NA +PJ071133 GLEMHRR C36H63N15O10S 897.4604 NA PeJP NA NA +PJ071134 TLHRWW C44H59N13O8 897.461 NA PeJP NA NA +PJ071135 SLKKEMY C40H67N9O12S 897.463 NA PeJP NA NA +PJ071136 PPVLFYY C48H63N7O10 897.4637 NA PeJP NA NA +PJ071137 GVLMHRW C41H63N13O8S 897.4644 NA PeJP NA NA +PJ071138 TTTTRRY C37H63N13O13 897.4669 NA PeJP NA NA +PJ071139 PVLLMYY C45H67N7O10S 897.467 NA PeJP NA NA +PJ071140 VLLEMFF C45H67N7O10S 897.4671 NA PeJP NA NA +PJ071141 PVKMMHR C38H67N13O8S2 897.4677 NA PeJP NA NA +PJ071142 SPKHHHR C38H59N17O9 897.4682 NA PeJP NA NA +PJ071143 PPTLERW C42H63N11O11 897.4709 NA PeJP NA NA +PJ071144 PPCNRRR C35H63N17O9S 897.4716 NA PeJP NA NA +MJ097167 Miokamycin C45H71NO17 897.472199 NA MeJP NA NA +PJ071145 PHFRRW C43H59N15O7 897.4722 NA PeJP NA NA +PJ071146 STLKMRY C39H67N11O11S 897.4742 NA PeJP NA NA +PJ071147 VTTKMRY C39H67N11O11S 897.4743 NA PeJP NA NA +MJ097168 Shearamide A C47H63N9O9 897.474874 NA MeJP NA NA +PJ071148 SPPLLWW C47H63N9O9 897.4749 NA PeJP NA NA +PJ071149 LMHRRW C40H63N15O7S 897.4756 NA PeJP NA NA +PJ071150 STLEHRR C36H63N15O12 897.4781 NA PeJP NA NA +PJ071151 AAPPLLMW C44H67N9O9S 897.4783 NA PeJP NA NA +PJ071152 GVHHHRR C37H59N19O8 897.4795 NA PeJP NA NA +PJ071153 SSSTLLKY C40H67N9O14 897.4808 NA PeJP NA NA +PJ071154 VVKKMMY C41H71N9O9S2 897.4817 NA PeJP NA NA +PJ071155 SSLLHRW C41H63N13O10 897.4821 NA PeJP NA NA +PJ071156 VVLLEYY C45H67N7O12 897.4848 NA PeJP NA NA +PJ071157 PPLEMRR C38H67N13O10S 897.4855 NA PeJP NA NA +PJ071158 VKFRYW C46H63N11O8 897.4861 NA PeJP NA NA +PJ071159 GPPKKWW C46H63N11O8 897.4862 NA PeJP NA NA +PJ071160 GPQERRR C35H63N17O11 897.4893 NA PeJP NA NA +PJ071161 GGAPERRR C35H63N17O11 897.4894 NA PeJP NA NA +PJ071162 PPVLMRW C43H67N11O8S 897.4895 NA PeJP NA NA +PJ071163 HHHRRR C36H59N21O7 897.4907 NA PeJP NA NA +PJ071164 GSSTKKKY C39H67N11O13 897.492 NA PeJP NA NA +PJ071165 GPVQRRW C40H63N15O9 897.4934 NA PeJP NA NA +PJ071166 PLLLQEW C44H67N9O11 897.496 NA PeJP NA NA +PJ071167 GAPLLLEW C44H67N9O11 897.4961 NA PeJP NA NA +PJ071168 SVLMHRR C37H67N15O9S 897.4967 NA PeJP NA NA +PJ071169 APPLLKEM C41H71N9O11S 897.4994 NA PeJP NA NA +PJ071170 PVLLFFY C49H67N7O9 897.5001 NA PeJP NA NA +PJ071171 PLQQKER C38H67N13O12 897.5032 NA PeJP NA NA +PJ071172 PVLEERR C38H67N13O12 897.5033 NA PeJP NA NA +PJ071173 VLLLMFY C46H71N7O9S 897.5034 NA PeJP NA NA +PJ071174 PQRRRW C39H63N17O8 897.5046 NA PeJP NA NA +PJ071175 PVVLERW C43H67N11O10 897.5073 NA PeJP NA NA +PJ071176 ACKKHRR C36H67N17O8S 897.508 NA PeJP NA NA +5473 aurein 3,1 GLFDIVKKIAGHIAGSIG 897.50945 MH2+ Inhouse_peptide NA peptide +PJ071177 TCKKKKY C40H71N11O10S 897.5106 NA PeJP NA NA +PJ071178 APPTLLMR C40H71N11O10S 897.5107 NA PeJP NA NA +PJ071179 APLLLWW C48H67N9O8 897.5113 NA PeJP NA NA +PJ071180 PVNKERR C37H67N15O11 897.5145 NA PeJP NA NA +PJ071181 VVKKMFF C45H71N9O8S 897.5147 NA PeJP NA NA +PJ071182 GPLLLKEE C41H71N9O13 897.5172 NA PeJP NA NA +PJ071183 SPPKKRW C42H67N13O9 897.5185 NA PeJP NA NA +PJ071184 TLLLLYY C46H71N7O11 897.5212 NA PeJP NA NA +PJ071185 TLLKMHR C39H71N13O9S 897.5219 NA PeJP NA NA +PJ071186 GPKERRR C36H67N17O10 897.5257 NA PeJP NA NA +3939 aurein 3,3 GLFDIVKKIAGHIVSSI~ 897.52795 MH2+ Inhouse_peptide NA peptide +PJ071187 GPTLLLER C40H71N11O12 897.5284 NA PeJP NA NA +PJ071188 AVLHFRR C41H67N15O8 897.5297 NA PeJP NA NA +PJ071189 GPVKRRW C41H67N15O8 897.5298 NA PeJP NA NA +8160 ACE inhibitor from b-CN (202-209) RGPFPIIV 897.53 antibacterial Inhouse_peptide NA peptide +PJ071190 PLLLKEW C45H71N9O10 897.5324 NA PeJP NA NA +PJ071191 AKKKMHR C38H71N15O8S 897.5331 NA PeJP NA NA +PJ071192 SPPLLLKM C42H75N9O10S 897.5358 NA PeJP NA NA +PJ071193 VLLLFFF C50H71N7O8 897.5364 NA PeJP NA NA +PJ071194 GPTRRRR C35H67N19O9 897.537 NA PeJP NA NA +PJ071195 PLQKKER C39H71N13O11 897.5396 NA PeJP NA NA +PJ071196 GAPLKKER C39H71N13O11 897.5397 NA PeJP NA NA +PJ071197 PKRRRW C40H67N17O7 897.541 NA PeJP NA NA +PJ071198 PTLLLRW C44H71N11O9 897.5437 NA PeJP NA NA +PJ071199 GPVLLLMR C41H75N11O9S 897.547 NA PeJP NA NA +PJ071200 PVDKKRR C38H71N15O10 897.5509 NA PeJP NA NA +PJ071201 SPVLLLKE C42H75N9O12 897.5536 NA PeJP NA NA +PJ071202 APLKKRW C43H71N13O8 897.5549 NA PeJP NA NA +PJ071203 PLLLMRR C40H75N13O8S 897.5583 NA PeJP NA NA +PJ071204 SPVKRRR C37H71N17O9 897.5621 NA PeJP NA NA +PJ071205 AALLLLER C41H75N11O11 897.5648 NA PeJP NA NA +PJ071206 LLLLLQW C46H75N9O9 897.5688 NA PeJP NA NA +PJ071207 APLLLLKM C43H79N9O9S 897.5722 NA PeJP NA NA +PJ071208 AALRRRR C36H71N19O8 897.5734 NA PeJP NA NA +PJ071209 VLLLERR C40H75N13O10 897.576 NA PeJP NA NA +PJ071210 VVLLLRW C45H75N11O8 897.5801 NA PeJP NA NA +PJ071211 VRRRRR C35H71N21O7 897.5846 NA PeJP NA NA +PJ071212 PTLKKRR C39H75N15O9 897.5873 NA PeJP NA NA +PJ071213 VVVVLLKE C43H79N9O11 897.5899 NA PeJP NA NA +PJ071214 GLLLLLKE C43H79N9O11 897.59 NA PeJP NA NA +PJ071215 GLLKRRR C38H75N17O8 897.5985 NA PeJP NA NA +PJ071216 GTLLLLLR C42H79N11O10 897.6012 NA PeJP NA NA +PJ071217 LLLLLKW C47H79N9O8 897.6052 NA PeJP NA NA +PJ071218 LLLQKKR C41H79N13O9 897.6124 NA PeJP NA NA +PJ071219 VVLKKRR C40H79N15O8 897.6236 NA PeJP NA NA +PJ071220 SVLLLLLK C44H83N9O10 897.6263 NA PeJP NA NA +PJ071221 GVLLLKKK C43H83N11O9 897.6376 NA PeJP NA NA +PJ071222 LLLKKKR C42H83N13O8 897.6488 NA PeJP NA NA +EUR1138 SM(d18:1/26:3) [M-H+acetate]- C49H94N2O6P 897.706051 masses lipides attendues BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR1138 SM(d18:1/26:3) [M-H+acetate]- C49H94N2O6P 897.706051 masses lipides attendues Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR1138 SM(d18:1/26:3) [M-H+acetate]- C49H94N2O6P 897.706051 masses lipides attendues banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR1138 SM(d18:1/26:3) [M-H+acetate]- C49H94N2O6P 897.706051 masses lipides attendues Inhousejuil11 NA NA +HMDB08323 PC(20:1(11Z)/24:1(15Z)) C52H100NO8P 897.718628 NA HMDB2010 NA NA +HMDB08355 PC(20:2(11Z,14Z)/24:0) C52H100NO8P 897.718628 NA HMDB2010 NA NA +HMDB08547 PC(22:0/22:2(13Z,16Z)) C52H100NO8P 897.718628 NA HMDB2010 NA NA +HMDB08578 PC(22:1(13Z)/22:1(13Z)) C52H100NO8P 897.718628 NA HMDB2010 NA NA +HMDB08610 PC(22:2(13Z,16Z)/22:0) C52H100NO8P 897.718628 NA HMDB2010 NA NA +HMDB08769 PC(24:0/20:2(11Z,14Z)) C52H100NO8P 897.718628 NA HMDB2010 NA NA +HMDB08801 PC(24:1(15Z)/20:1(11Z)) C52H100NO8P 897.718628 NA HMDB2010 NA NA +5464 aurein 3,3 GLFDIVKKIAGHIVSSI 898.01995 MH2+ Inhouse_peptide NA peptide +PJ071223 CCCCCCMM C28H50N8O9S8 898.1467 NA PeJP NA NA +MJ097169 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3''-Deoxy, 3,3'-bis(3,4,5-trihydroxybenzoyl) C44H34O21 898.159258 NA MeJP NA NA +MJ097170 3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 5'''-Hydroxy, 3,3'-bis(3,4,5-trihydroxybenzoyl) C44H34O21 898.159258 NA MeJP NA NA +MJ097171 3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 5''-Hydroxy, 3,3'-bis(3,4,5-trihydroxybenzoyl) C44H34O21 898.159258 NA MeJP NA NA +MJ097172 Theasinensin C; 3''-Deoxy, 3,3'-bis-O-(3,4,5-trihydroxybenzoyl) C44H34O21 898.159258 NA MeJP NA NA +MJ097173 Theasinensin C; Atropisomer, 3''-deoxy, 3,3'-bis-O-(3,4,5-trihydroxybenzoyl) C44H34O21 898.159258 NA MeJP NA NA +PJ071224 CCCCCCDF C31H46N8O11S6 898.1611 NA PeJP NA NA +PJ071225 SCCCCCDY C31H46N8O13S5 898.1788 NA PeJP NA NA +MJ097174 [3,3',4',5,7-Pentahydroxyflavan(4?8)]2-3,3',4',5,7-pentahydroxyflavan, 5A,5B-Dihydroxy C45H38O20 898.195643 NA MeJP NA NA +PJ071226 ACCCCCMY C32H50N8O10S6 898.1975 NA PeJP NA NA +PJ071227 CCCCCNNH C29H46N12O11S5 898.2013 NA PeJP NA NA +PJ071228 SCCCCDEH C30H46N10O14S4 898.2078 NA PeJP NA NA +PJ071229 PCCCCCMH C31H50N10O9S6 898.2087 NA PeJP NA NA +PJ071230 SCDDDDDD C30H42N8O22S 898.2135 NA PeJP NA NA +PJ071231 PCCCDDDE C31H46N8O17S3 898.2144 NA PeJP NA NA +PJ071232 SSCCCCMY C32H50N8O12S5 898.2152 NA PeJP NA NA +PJ071233 GCCCDMMH C31H50N10O11S5 898.2265 NA PeJP NA NA +PJ071234 ACCCCCFF C36H50N8O9S5 898.2305 NA PeJP NA NA +PJ071235 GCDDDDEM C31H46N8O19S2 898.2321 NA PeJP NA NA +PJ071236 CCCNNNND C29H46N12O15S3 898.2368 NA PeJP NA NA +PJ071237 GCCCDDHF C34H46N10O13S3 898.2408 NA PeJP NA NA +PJ071238 SCCNNDDE C30H46N10O18S2 898.2433 NA PeJP NA NA +PJ071239 GGGGSCCDDE C30H46N10O18S2 898.2434 NA PeJP NA NA +PJ071240 SSCCCEMH C31H50N10O13S4 898.2442 NA PeJP NA NA +PJ071241 GCCCCHHH C32H46N14O9S4 898.2456 NA PeJP NA NA +PJ071242 CDDDDMW C35H46N8O16S2 898.2474 NA PeJP NA NA +PJ071243 CCCNMYY C36H50N8O11S4 898.2482 NA PeJP NA NA +PJ071244 SSDDDDDM C31H46N8O21S 898.2499 NA PeJP NA NA +PJ071245 SPCCDDEM C32H50N8O16S3 898.2507 NA PeJP NA NA +PJ071246 PPCCCDMM C33H54N8O11S5 898.2516 NA PeJP NA NA +PJ071247 GSCCNDDW C34H46N10O15S2 898.2586 NA PeJP NA NA +PJ071248 GPCCCCQW C35H50N10O10S4 898.2595 NA PeJP NA NA +PJ071249 GSSSCNDDD C30H46N10O20S 898.2611 NA PeJP NA NA +PJ071250 GCNNDDMM C31H50N10O15S3 898.262 NA PeJP NA NA +PJ071251 GSCCMMMH C32H54N10O10S5 898.2628 NA PeJP NA NA +PJ071252 GPCDDDDY C35H46N8O18S 898.2651 NA PeJP NA NA +PJ071253 GSTCCCYY C36H50N8O13S3 898.266 NA PeJP NA NA +PJ071254 GSDDDEMM C32H50N8O18S2 898.2685 NA PeJP NA NA +PJ071255 GPCDDMMM C33H54N8O13S4 898.2694 NA PeJP NA NA +PJ071256 PPCCCCHH C34H50N12O9S4 898.2707 NA PeJP NA NA +PJ071257 GCCCNDER C30H50N12O14S3 898.2732 NA PeJP NA NA +MJ097175 Blumeoside B C40H50O23 898.274287 NA MeJP NA NA +MJ097176 Lilongiside C40H50O23 898.274287 NA MeJP NA NA +MJ097177 Sucrose; 3'-O-(4-Hydroxy-3-methoxycinnamoyl), 6'-O-(4-?-D-glucopyranosyloxy-3-methoxycinnamoyl), 6-Ac C40H50O23 898.274287 NA MeJP NA NA +PJ071258 GCNNDDDF C34H46N10O17S 898.2764 NA PeJP NA NA +PJ071259 CCNNEMW C35H50N10O12S3 898.2772 NA PeJP NA NA +PJ071260 SSCNNDEM C31H50N10O17S2 898.2797 NA PeJP NA NA +PJ071261 SSTCCMMH C32H54N10O12S4 898.2806 NA PeJP NA NA +PJ071262 GCCNNDHH C32H46N14O13S2 898.2811 NA PeJP NA NA +PJ071263 CCCNFFY C40H50N8O10S3 898.2812 NA PeJP NA NA +PJ071264 NDDDEEY C35H46N8O20 898.2829 NA PeJP NA NA +PJ071265 SDDDMMW C36H50N8O15S2 898.2837 NA PeJP NA NA +PJ071266 GPCDDDMF C36H50N8O15S2 898.2838 NA PeJP NA NA +PJ071267 PCCEMMW C37H54N8O10S4 898.2846 NA PeJP NA NA +PJ071268 SSSDDEEM C32H50N8O20S 898.2862 NA PeJP NA NA +PJ071269 NDEEMMM C33H54N8O15S3 898.2871 NA PeJP NA NA +PJ071270 GSCDDEHH C33H46N12O16S 898.2876 NA PeJP NA NA +PJ071271 SPPCCMMM C34H58N8O10S5 898.288 NA PeJP NA NA +PJ071272 CCCNDRW C34H50N12O11S3 898.2884 NA PeJP NA NA +PJ071273 GGCCCDRW C34H50N12O11S3 898.2885 NA PeJP NA NA +PJ071274 GSSSCCNNQ C30H50N12O16S2 898.2909 NA PeJP NA NA +PJ071275 SSCCNDDR C30H50N12O16S2 898.291 NA PeJP NA NA +PJ071276 SPCCCCQR C31H54N12O11S4 898.2918 NA PeJP NA NA +PJ071277 GCCNMWW C39H50N10O9S3 898.2925 NA PeJP NA NA +PJ071278 GSNNDDDY C34H46N10O19 898.2941 NA PeJP NA NA +PJ071279 GSSCNDMW C35H50N10O14S2 898.295 NA PeJP NA NA +PJ071280 CCQMMHF C36H54N10O9S4 898.2958 NA PeJP NA NA +PJ071281 GPCCCCKW C36H54N10O9S4 898.2959 NA PeJP NA NA +PJ071282 GSSSSNDDM C31H50N10O19S 898.2975 NA PeJP NA NA +PJ071283 GDDDEYW C39H46N8O17 898.2981 NA PeJP NA NA +PJ071284 GSNNDMMM C32H54N10O14S3 898.2983 NA PeJP NA NA +PJ071285 CDDEMMR C32H54N10O14S3 898.2984 NA PeJP NA NA +PJ071286 PCCDEFW C40H50N8O12S2 898.299 NA PeJP NA NA +MJ097178 Perdeacylemarginatine; 1,6,8,9,14-Penta-Ac C43H50N2O19 898.300777 NA MeJP NA NA +PJ071287 GSPDDDMY C36H50N8O17S 898.3015 NA PeJP NA NA +PJ071288 GDEMMMW C37H54N8O12S3 898.3024 NA PeJP NA NA +PJ071289 SCDDHHW C37H46N12O13S 898.3028 NA PeJP NA NA +PJ071290 GSSEEEMM C33H54N8O17S2 898.3049 NA PeJP NA NA +PJ071291 SSSDDDHH C33H46N12O18 898.3053 NA PeJP NA NA +PJ071292 GSPDMMMM C34H58N8O12S4 898.3057 NA PeJP NA NA +PJ071293 GCCNNNQF C34H50N12O13S2 898.3062 NA PeJP NA NA +PJ071294 CCCMHFR C35H54N12O8S4 898.3071 NA PeJP NA NA +PJ071295 SSSSSCNNN C30H50N12O18S 898.3087 NA PeJP NA NA +PJ071296 PDDDDHW C38H46N10O16 898.3094 NA PeJP NA NA +PJ071297 GSCCNEMR C31H54N12O13S3 898.3096 NA PeJP NA NA +PJ071298 SSCCQWW C39H50N10O11S2 898.3102 NA PeJP NA NA +MJ097179 2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 1-O-[?-D-glucopyranosyl-(1?4)-2,3-di-O-acetyl-?-L-rhamnopyranosyl-(1?6)-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C41H54O22 898.310673 NA MeJP NA NA +MJ097180 2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 1-O-[?-D-glucopyranosyl-(1?4)-2,3-di-O-acetyl-?-L-rhamopyranosyl-(1?3)[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] C41H54O22 898.310673 NA MeJP NA NA +PJ071299 SSSSCNEW C35H50N10O16S 898.3127 NA PeJP NA NA +PJ071300 GGGGGGDEMY C35H50N10O16S 898.3128 NA PeJP NA NA +PJ071301 DDDYWW C43H46N8O14 898.3134 NA PeJP NA NA +PJ071302 SCNQMMW C36H54N10O11S3 898.3136 NA PeJP NA NA +PJ071303 SSSSSSNDE C31H50N10O21 898.3152 NA PeJP NA NA +PJ071304 SSSNNEMM C32H54N10O16S2 898.3161 NA PeJP NA NA +PJ071305 GNNNNDDH C32H46N14O17 898.3166 NA PeJP NA NA +PJ071306 SPCDEYW C40H50N8O14S 898.3167 NA PeJP NA NA +PJ071307 PTCDDYW C40H50N8O14S 898.3168 NA PeJP NA NA +PJ071308 NNQMMMM C33H58N10O11S4 898.317 NA PeJP NA NA +PJ071309 CCDEHHR C33H50N14O12S2 898.3174 NA PeJP NA NA +PJ071310 GGGSCNMHH C33H50N14O12S2 898.3175 NA PeJP NA NA +PJ071311 DMMMWW C41H54N8O9S3 898.3176 NA PeJP NA NA +PJ071312 SNEEEEY C36H50N8O19 898.3192 NA PeJP NA NA +PJ071313 GGSEEEEY C36H50N8O19 898.3193 NA PeJP NA NA +PJ071314 SSEEMMW C37H54N8O14S2 898.3201 NA PeJP NA NA +PJ071315 NDDDHHF C37H46N12O15 898.3206 NA PeJP NA NA +PJ071316 GSCCCDRR C30H54N14O12S3 898.3208 NA PeJP NA NA +PJ071317 PTCMMMW C38H58N8O9S4 898.321 NA PeJP NA NA +PJ071318 GCEMHHW C38H50N12O10S2 898.3215 NA PeJP NA NA +PJ071319 SSSTEEEM C33H54N8O19S 898.3226 NA PeJP NA NA +PJ071320 TQEEMMM C34H58N8O14S3 898.3235 NA PeJP NA NA +PJ071321 CNNDDRY C34H50N12O15S 898.324 NA PeJP NA NA +PJ071322 EMMYYY C42H54N6O12S2 898.3241 NA PeJP NA NA +PJ071323 PQMMMMM C35H62N8O9S5 898.3244 NA PeJP NA NA +PJ071324 SCCNMRW C35H54N12O10S3 898.3248 NA PeJP NA NA +PJ071325 GGGPCCCFR C35H54N12O10S3 898.3249 NA PeJP NA NA +PJ071326 CNDHHHH C35H46N16O11S 898.3253 NA PeJP NA NA +PJ071327 GCCHFFW C43H50N10O8S2 898.3255 NA PeJP NA NA +PJ071328 SSSCNDMR C31H54N12O15S2 898.3273 NA PeJP NA NA +PJ071329 GGGGGSSSCCK C31H54N12O15S2 898.3274 NA PeJP NA NA +PJ071330 GSSSSCWW C39H50N10O13S 898.328 NA PeJP NA NA +PJ071331 CNNMMMR C32H58N12O10S4 898.3282 NA PeJP NA NA +PJ071332 ACCCKWW C40H54N10O8S3 898.3289 NA PeJP NA NA +PJ071333 GSSSSSSDW C35H50N10O18 898.3305 NA PeJP NA NA +PJ071334 GSSSNMMW C36H54N10O13S2 898.3314 NA PeJP NA NA +PJ071335 DDMFWW C44H50N8O11S 898.332 NA PeJP NA NA +PJ071336 CCKMMHF C37H58N10O8S4 898.3322 NA PeJP NA NA +PJ071337 GSSSSSQEM C32H54N10O18S 898.3338 NA PeJP NA NA +PJ071338 GSSSSTNEM C32H54N10O18S 898.3339 NA PeJP NA NA +PJ071339 GSEEEYW C40H50N8O16 898.3345 NA PeJP NA NA +PJ071340 SDEMMMR C33H58N10O13S3 898.3347 NA PeJP NA NA +PJ071341 SSSCNQHH C33H50N14O14S 898.3352 NA PeJP NA NA +PJ071342 GPDMMYW C41H54N8O11S2 898.3354 NA PeJP NA NA +PJ071343 PCMMMMR C34H62N10O8S5 898.3356 NA PeJP NA NA +PJ071344 CMHHWW C42H50N12O7S2 898.3367 NA PeJP NA NA +PJ071345 AQEEEMY C37H54N8O16S 898.3379 NA PeJP NA NA +PJ071346 DEFYYY C45H50N6O14 898.3385 NA PeJP NA NA +PJ071347 ATEMMMW C38H58N8O11S3 898.3387 NA PeJP NA NA +PJ071348 GPPTCMMY C38H58N8O11S3 898.3388 NA PeJP NA NA +PJ071349 SSDMHHW C38H50N12O12S 898.3392 NA PeJP NA NA +PJ071350 CCCQMRR C31H58N14O9S4 898.3394 NA PeJP NA NA +PJ071351 GACCCMRR C31H58N14O9S4 898.3395 NA PeJP NA NA +PJ071352 GTTTEEMM C34H58N8O16S2 898.3413 NA PeJP NA NA +PJ071353 SSSNNNNY C34H50N12O17 898.3417 NA PeJP NA NA +PJ071354 GGGGGAEEEH C34H50N12O17 898.3418 NA PeJP NA NA +PJ071355 VQEMMMM C35H62N8O11S4 898.3421 NA PeJP NA NA +PJ071356 GSSTCCRW C35H54N12O12S2 898.3426 NA PeJP NA NA +PJ071357 CNQYWW C43H50N10O10S 898.3432 NA PeJP NA NA +PJ071358 GGGACYWW C43H50N10O10S 898.3433 NA PeJP NA NA +PJ071359 GSSSSSCER C31H54N12O17S 898.3451 NA PeJP NA NA +PJ071360 SSNNEYW C39H50N10O15 898.3457 NA PeJP NA NA +PJ071361 GGGGSSEYW C39H50N10O15 898.3458 NA PeJP NA NA +PJ071362 GSSCQMMR C32H58N12O12S3 898.346 NA PeJP NA NA +PJ071363 SSCCKWW C40H54N10O10S2 898.3466 NA PeJP NA NA +PJ071364 SSSSSQMW C36H54N10O15S 898.3491 NA PeJP NA NA +PJ071365 NNYYYY C44H50N8O13 898.3497 NA PeJP NA NA +PJ071366 SEEYWW C44H50N8O13 898.3498 NA PeJP NA NA +PJ071367 SCNKMMW C37H58N10O10S3 898.35 NA PeJP NA NA +PJ071368 CNNQHHF C37H50N14O11S 898.3505 NA PeJP NA NA +PJ071369 PPCCFFW C45H54N8O8S2 898.3506 NA PeJP NA NA +PJ071370 CCCCRRR C30H58N16O8S4 898.3507 NA PeJP NA NA +PJ071371 SSSSSSTQE C32H54N10O20 898.3516 NA PeJP NA NA +PJ071372 SSSNDKMM C33H58N10O15S2 898.3525 NA PeJP NA NA +PJ071373 NNDDEHR C33H50N14O16 898.353 NA PeJP NA NA +PJ071374 AAEEMYW C41H54N8O13S 898.3531 NA PeJP NA NA +PJ071375 GGPDEMFF C41H54N8O13S 898.3532 NA PeJP NA NA +PJ071376 NNKMMMM C34H62N10O10S4 898.3533 NA PeJP NA NA +PJ071377 AEMMMMR C34H62N10O10S4 898.3534 NA PeJP NA NA +PJ071378 SCEMHHR C34H54N14O11S2 898.3538 NA PeJP NA NA +PJ071379 GPMMMFW C42H58N8O8S3 898.354 NA PeJP NA NA +PJ071380 GPCNHWW C42H50N12O9S 898.3545 NA PeJP NA NA +PJ071381 SDKEEEY C37H54N8O18 898.3556 NA PeJP NA NA +PJ071382 SPPPDEEE C37H54N8O18 898.3557 NA PeJP NA NA +PJ071383 TTTEMMW C38H58N8O13S2 898.3565 NA PeJP NA NA +PJ071384 GNQEEHW C38H50N12O14 898.357 NA PeJP NA NA +PJ071385 PMYYYY C46H54N6O11S 898.3571 NA PeJP NA NA +PJ071386 EMFFYY C46H54N6O11S 898.3572 NA PeJP NA NA +PJ071387 GLMMMMW C39H62N8O8S4 898.3574 NA PeJP NA NA +PJ071388 ACCNFRW C39H54N12O9S2 898.3578 NA PeJP NA NA +PJ071389 GCCQFRW C39H54N12O9S2 898.3579 NA PeJP NA NA +PJ071390 STTTTEEM C34H58N8O18S 898.359 NA PeJP NA NA +PJ071391 TKEEMMM C35H62N8O13S3 898.3599 NA PeJP NA NA +PJ071392 SSSSSCRW C35H54N12O14S 898.3603 NA PeJP NA NA +PJ071393 GGSNDMRY C35H54N12O14S 898.3604 NA PeJP NA NA +PJ071394 PKMMMMM C36H66N8O8S5 898.3608 NA PeJP NA NA +PJ071395 GSSNYWW C43H50N10O12 898.361 NA PeJP NA NA +PJ071396 TCCCKRW C36H58N12O9S3 898.3612 NA PeJP NA NA +PJ071397 SNMHHHH C36H50N16O10S 898.3617 NA PeJP NA NA +PJ071398 SSSSSSSDR C31H54N12O19 898.3628 NA PeJP NA NA +PJ071399 SSSSNMMR C32H58N12O14S2 898.3637 NA PeJP NA NA +PJ071400 DEMRYW C40H54N10O12S 898.3644 NA PeJP NA NA +PJ071401 CCQKMMR C33H62N12O9S4 898.3646 NA PeJP NA NA +PJ071402 GSSSSSTTW C36H54N10O17 898.3669 NA PeJP NA NA +PJ071403 GSSTCKMW C37H58N10O12S2 898.3677 NA PeJP NA NA +PJ071404 GGGGVQMMY C37H58N10O12S2 898.3678 NA PeJP NA NA +PJ071405 GNDDHRW C37H50N14O13 898.3682 NA PeJP NA NA +PJ071406 VDMYWW C45H54N8O10S 898.3684 NA PeJP NA NA +PJ071407 PCCHHFR C38H54N14O8S2 898.3691 NA PeJP NA NA +PJ071408 GSSSSSKEM C33H58N10O17S 898.3702 NA PeJP NA NA +PJ071409 ATTEEYW C41H54N8O15 898.3709 NA PeJP NA NA +PJ071410 TTEMMMR C34H62N10O12S3 898.3711 NA PeJP NA NA +PJ071411 GSPCNEHR C34H54N14O13S 898.3716 NA PeJP NA NA +PJ071412 APTMMYW C42H58N8O10S2 898.3718 NA PeJP NA NA +PJ071413 NQEHWW C42H50N12O11 898.3722 NA PeJP NA NA +PJ071414 GGGAEHWW C42H50N12O11 898.3723 NA PeJP NA NA +PJ071415 GMMMHHR C35H58N14O8S3 898.3725 NA PeJP NA NA +PJ071416 AKEEEMY C38H58N8O15S 898.3743 NA PeJP NA NA +PJ071417 VEYYYY C46H54N6O13 898.3749 NA PeJP NA NA +PJ071418 STLMMMW C39H62N8O10S3 898.3751 NA PeJP NA NA +PJ071419 GSCQRYW C39H54N12O11S 898.3756 NA PeJP NA NA +PJ071420 CCCKMRR C32H62N14O8S4 898.3758 NA PeJP NA NA +PJ071421 SSTTLEMM C35H62N8O15S2 898.3776 NA PeJP NA NA +PJ071422 GSSSNERY C35H54N12O16 898.3781 NA PeJP NA NA +PJ071423 VKEMMMM C36H66N8O10S4 898.3785 NA PeJP NA NA +PJ071424 GNQMMRY C36H58N12O11S2 898.379 NA PeJP NA NA +PJ071425 GSSTHHHH C36H50N16O12 898.3795 NA PeJP NA NA +PJ071426 CNKYWW C44H54N10O9S 898.3796 NA PeJP NA NA +PJ071427 GSSSSSTMR C32H58N12O16S 898.3815 NA PeJP NA NA +PJ071428 SSNDKYW C40H54N10O14 898.3821 NA PeJP NA NA +PJ071429 GGGAPPEEW C40H54N10O14 898.3822 NA PeJP NA NA +PJ071430 GSSCKMMR C33H62N12O11S3 898.3824 NA PeJP NA NA +PJ071431 NNNNMHR C33H54N16O12S 898.3828 NA PeJP NA NA +PJ071432 GGGGGGGGMHR C33H54N16O12S 898.3829 NA PeJP NA NA +PJ071433 EMMFRW C41H58N10O9S2 898.383 NA PeJP NA NA +PJ071434 GPEHHHW C41H50N14O10 898.3835 NA PeJP NA NA +PJ071435 SSSSSKMW C37H58N10O14S 898.3855 NA PeJP NA NA +PJ071436 SSPPYYW C45H54N8O12 898.3861 NA PeJP NA NA +MJ097181 Microsclerodermin F; 2',3'-Didehydro(Z-) C45H54N8O12 898.386119 NA MeJP NA NA +PJ071437 AAPEYYW C45H54N8O12 898.3862 NA PeJP NA NA +PJ071438 TCCKKMW C38H62N10O9S3 898.3864 NA PeJP NA NA +PJ071439 SPCNHRW C38H54N14O10S 898.3868 NA PeJP NA NA +PJ071440 GGSPCHRW C38H54N14O10S 898.3869 NA PeJP NA NA +PJ071441 VMMFWW C46H58N8O7S2 898.387 NA PeJP NA NA +PJ071442 GQHWWW C46H50N12O8 898.3875 NA PeJP NA NA +PJ071443 SSSSSSTKE C33H58N10O19 898.388 NA PeJP NA NA +PJ071444 SSSTQKMM C34H62N10O14S2 898.3889 NA PeJP NA NA +PJ071445 SNQEEHR C34H54N14O15 898.3893 NA PeJP NA NA +PJ071446 GGSQEEHR C34H54N14O15 898.3894 NA PeJP NA NA +PJ071447 GTLEMYW C42H58N8O12S 898.3895 NA PeJP NA NA +PJ071448 SLMMMMR C35H66N10O9S4 898.3897 NA PeJP NA NA +PJ071449 GACKKMMM C35H66N10O9S4 898.3898 NA PeJP NA NA +PJ071450 PFFYYY C50H54N6O10 898.3902 NA PeJP NA NA +PJ071451 AAMHHFW C43H54N12O8S 898.3909 NA PeJP NA NA +PJ071452 TTKEEEY C38H58N8O17 898.392 NA PeJP NA NA +PJ071453 PTKEMMY C39H62N8O12S2 898.3929 NA PeJP NA NA +PJ071454 SSSNRYW C39H54N12O13 898.3934 NA PeJP NA NA +PJ071455 LMFYYY C47H58N6O10S 898.3935 NA PeJP NA NA +PJ071456 GCCKFRW C40H58N12O8S2 898.3942 NA PeJP NA NA +PJ071457 GQHHHHF C40H50N16O9 898.3947 NA PeJP NA NA +PJ071458 SSSLLMMM C36H66N8O12S3 898.3963 NA PeJP NA NA +PJ071459 SSQQMRY C36H58N12O13S 898.3967 NA PeJP NA NA +PJ071460 GGSPPPCER C36H58N12O13S 898.3968 NA PeJP NA NA +PJ071461 LEEHWW C44H54N10O11 898.3974 NA PeJP NA NA +PJ071462 PPMMMHR C37H62N12O8S3 898.3976 NA PeJP NA NA +PJ071463 TCKHHHH C37H54N16O9S 898.3981 NA PeJP NA NA +PJ071464 PHHHWW C45H50N14O7 898.3987 NA PeJP NA NA +PJ071465 SSSSSSTTR C32H58N12O18 898.3992 NA PeJP NA NA +PJ071466 SSSTCKMR C33H62N12O13S2 898.4001 NA PeJP NA NA +PJ071467 SNDDHRR C33H54N16O14 898.4006 NA PeJP NA NA +PJ071468 ASNKMYW C41H58N10O11S 898.4007 NA PeJP NA NA +PJ071469 GSQKMYW C41H58N10O11S 898.4008 NA PeJP NA NA +PJ071470 CCKKMMR C34H66N12O8S4 898.401 NA PeJP NA NA +PJ071471 PTFYWW C49H54N8O9 898.4014 NA PeJP NA NA +PJ071472 PCCQHRR C34H58N16O9S2 898.4015 NA PeJP NA NA +PJ071473 ASSSQKEY C37H58N10O16 898.4032 NA PeJP NA NA +PJ071474 TTTEERY C37H58N10O16 898.4033 NA PeJP NA NA +PJ071475 GLEMMRY C38H62N10O11S2 898.4041 NA PeJP NA NA +PJ071476 GGGGPPPVMM C38H62N10O11S2 898.4042 NA PeJP NA NA +PJ071477 GSQEHRW C38H54N14O12 898.4046 NA PeJP NA NA +PJ071478 TLMYWW C46H58N8O9S 898.4048 NA PeJP NA NA +PJ071479 GSSSTTTKM C34H62N10O16S 898.4066 NA PeJP NA NA +PJ071480 STTLEYW C42H58N8O14 898.4073 NA PeJP NA NA +PJ071481 GSSKKMMM C35H66N10O11S3 898.4075 NA PeJP NA NA +PJ071482 SSCQRRY C35H58N14O12S 898.408 NA PeJP NA NA +PJ071483 ACLLMYW C43H62N8O9S2 898.4081 NA PeJP NA NA +PJ071484 GVLMMYW C43H62N8O9S2 898.4082 NA PeJP NA NA +PJ071485 NKEHWW C43H54N12O10 898.4086 NA PeJP NA NA +PJ071486 SSPTTLMY C39H62N8O14S 898.4106 NA PeJP NA NA +PJ071487 SLKEEMY C39H62N8O14S 898.4107 NA PeJP NA NA +PJ071488 PVKMMMY C40H66N8O9S3 898.4115 NA PeJP NA NA +PJ071489 GSCKRYW C40H58N12O10S 898.412 NA PeJP NA NA +PJ071490 PPQWWW C48H54N10O8 898.4126 NA PeJP NA NA +PJ071491 GAPPWWW C48H54N10O8 898.4127 NA PeJP NA NA +PJ071492 TTTTTLMM C36H66N8O14S2 898.414 NA PeJP NA NA +PJ071493 GSSSDKRY C36H58N12O15 898.4145 NA PeJP NA NA +PJ071494 GNKMMRY C37H62N12O10S2 898.4154 NA PeJP NA NA +PJ071495 SPEHHHR C37H54N16O11 898.4158 NA PeJP NA NA +PJ071496 GGGGLQHHH C37H54N16O11 898.4159 NA PeJP NA NA +PJ071497 PMFRYW C45H58N10O8S 898.416 NA PeJP NA NA +PJ071498 SSTQKYW C41H58N10O13 898.4185 NA PeJP NA NA +PJ071499 GNEMHRR C34H58N16O11S 898.4192 NA PeJP NA NA +MJ097182 Bephenium(1+); 4,4'-Methylenebis(3-hydroxy-2-naphthoate) salt (2:1) C57H58N2O8 898.419316 NA MeJP NA NA +PJ071500 LMMRYW C42H62N10O8S2 898.4194 NA PeJP NA NA +MJ097183 Thevetiogenin; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2-O-acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside] C44H66O19 898.419829 NA MeJP NA NA +PJ071501 SQHRWW C42H54N14O9 898.4199 NA PeJP NA NA +PJ071502 STLEMRY C38H62N10O13S 898.4219 NA PeJP NA NA +PJ071503 GPTLYYW C46H58N8O11 898.4225 NA PeJP NA NA +PJ071504 GGPVEFFF C46H58N8O11 898.4226 NA PeJP NA NA +PJ071505 ALMMMFR C39H66N10O8S3 898.4228 NA PeJP NA NA +PJ071506 AAQMHRW C39H58N14O9S 898.4232 NA PeJP NA NA +PJ071507 GKHWWW C47H54N12O7 898.4239 NA PeJP NA NA +PJ071508 SSSSTTTTK C34H62N10O18 898.4244 NA PeJP NA NA +PJ071509 SSSTKKMM C35H66N10O13S2 898.4253 NA PeJP NA NA +PJ071510 GSSSSRRY C35H58N14O14 898.4257 NA PeJP NA NA +PJ071511 GGGGAAPQER C35H58N14O14 898.4258 NA PeJP NA NA +PJ071512 SSLLMYW C43H62N8O11S 898.4259 NA PeJP NA NA +PJ071513 CKKKMMM C36H70N10O8S4 898.4261 NA PeJP NA NA +PJ071514 LFFFYY C51H58N6O9 898.4266 NA PeJP NA NA +PJ071515 GQQHHHR C36H54N18O10 898.4271 NA PeJP NA NA +PJ071516 SSSTLLEY C39H62N8O16 898.4284 NA PeJP NA NA +PJ071517 VVKEMMY C40H66N8O11S2 898.4293 NA PeJP NA NA +PJ071518 SPPQERW C40H58N12O12 898.4297 NA PeJP NA NA +PJ071519 GGPPTERW C40H58N12O12 898.4298 NA PeJP NA NA +PJ071520 GCDHRRR C33H58N18O10S 898.4305 NA PeJP NA NA +PJ071521 GKHHHHF C41H54N16O8 898.4311 NA PeJP NA NA +PJ071522 SSQKMRY C37H62N12O12S 898.4331 NA PeJP NA NA +PJ071523 GGGGGAAPPKM C37H62N12O12S 898.4332 NA PeJP NA NA +PJ071524 GPPKEWW C45H58N10O10 898.4338 NA PeJP NA NA +PJ071525 NMHRRW C38H58N16O8S 898.4345 NA PeJP NA NA +MJ097184 4-N-Benzyl-4-N-demethylrifampicin C49H62N4O12 898.436423 NA MeJP NA NA +PJ071526 SSQEHRR C34H58N16O13 898.437 NA PeJP NA NA +PJ071527 GSKKMYW C42H62N10O10S 898.4371 NA PeJP NA NA +PJ071528 VVVEMHW C42H62N10O10S 898.4372 NA PeJP NA NA +PJ071529 VVFYWW C50H58N8O8 898.4378 NA PeJP NA NA +PJ071530 GSSTKKEY C38H62N10O15 898.4396 NA PeJP NA NA +PJ071531 GTTLLEEH C38H62N10O15 898.4397 NA PeJP NA NA +PJ071532 SVLMMRY C39H66N10O10S2 898.4405 NA PeJP NA NA +PJ071533 GSKEHRW C39H58N14O11 898.441 NA PeJP NA NA +PJ071534 GVLMFFW C47H62N8O8S 898.4412 NA PeJP NA NA +PJ071535 SPLKEYY C43H62N8O13 898.4437 NA PeJP NA NA +PJ071536 SSCKRRY C36H62N14O11S 898.4443 NA PeJP NA NA +PJ071537 PPNEMRR C36H62N14O11S 898.4444 NA PeJP NA NA +PJ071538 PVKMMFF C44H66N8O8S2 898.4445 NA PeJP NA NA +PJ071539 GPPTRWW C44H58N12O9 898.445 NA PeJP NA NA +PJ071540 GTTTLLMY C40H66N8O13S 898.447 NA PeJP NA NA +PJ071541 APPLLEEM C40H66N8O13S 898.4471 NA PeJP NA NA +PJ071542 VLKMMMF C41H70N8O8S3 898.4479 NA PeJP NA NA +PJ071543 PPVNMRW C41H62N12O9S 898.4484 NA PeJP NA NA +PJ071544 PPKWWW C49H58N10O7 898.449 NA PeJP NA NA +PJ071545 GSSTTKRY C37H62N12O14 898.4509 NA PeJP NA NA +PJ071546 ACKKMRY C38H66N12O9S2 898.4517 NA PeJP NA NA +PJ071547 VCCKKRY C38H66N12O9S2 898.4518 NA PeJP NA NA +PJ071548 GSTHRRW C38H58N16O10 898.4522 NA PeJP NA NA +PJ071549 LMFFRW C46H62N10O7S 898.4524 NA PeJP NA NA +MJ097185 Allatostatin A3 C42H62N10O12 898.454867 NA MeJP NA NA +PJ071550 SSTKKYW C42H62N10O12 898.4549 NA PeJP NA NA +PJ071551 PPCDRRR C35H62N16O10S 898.4556 NA PeJP NA NA +PJ071552 SKHRWW C43H58N14O8 898.4562 NA PeJP NA NA +MJ097186 24(23?22)-Abeo-16,23-epoxy-3,23-dihydroxycholesta-5,24-dien-18-al, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C45H70O18 898.456215 NA MeJP NA NA +MJ097187 Sepositoside A C45H70O18 898.456215 NA MeJP NA NA +PJ071553 GLLHHHW C43H58N14O8 898.4563 NA PeJP NA NA +PJ071554 SDKKKMY C39H66N10O12S 898.4583 NA PeJP NA NA +PJ071555 AALLYYW C47H62N8O10 898.4589 NA PeJP NA NA +PJ071556 GPPMRRW C40H62N14O8S 898.4596 NA PeJP NA NA +PJ071557 PVNEERR C36H62N14O13 898.4621 NA PeJP NA NA +PJ071558 GGGGGGGGAPKK C36H62N14O13 898.4622 NA PeJP NA NA +PJ071559 PVVKMYY C44H66N8O10S 898.4623 NA PeJP NA NA +PJ071560 PCKKMHR C37H66N14O8S2 898.463 NA PeJP NA NA +PJ071561 GQKHHHR C37H58N18O9 898.4635 NA PeJP NA NA +PJ071562 STTTTLLY C40H66N8O15 898.4648 NA PeJP NA NA +PJ071563 TLLKMMY C41H70N8O10S2 898.4657 NA PeJP NA NA +PJ071564 SPPKERW C41H62N12O11 898.4661 NA PeJP NA NA +PJ071565 GAAPLERW C41H62N12O11 898.4662 NA PeJP NA NA +PJ071566 GSMHRRR C34H62N18O9S 898.4668 NA PeJP NA NA +PJ071567 HHFFRR C42H58N16O7 898.4675 NA PeJP NA NA +PJ071568 SSKKMRY C38H66N12O11S 898.4695 NA PeJP NA NA +PJ071569 SPPVKWW C46H62N10O9 898.4702 NA PeJP NA NA +PJ071570 TTTQHRR C35H62N16O12 898.4733 NA PeJP NA NA +PJ071571 GPEERRR C35H62N16O12 898.4734 NA PeJP NA NA +PJ071572 SLLLMHW C43H66N10O9S 898.4735 NA PeJP NA NA +PJ071573 SSSSLKKY C39H66N10O14 898.476 NA PeJP NA NA +PJ071574 GGGPLLKEE C39H66N10O14 898.4761 NA PeJP NA NA +PJ071575 AKKKMMY C40H70N10O9S2 898.4769 NA PeJP NA NA +PJ071576 GPVERRW C40H62N14O10 898.4774 NA PeJP NA NA +PJ071577 ALLKEYY C44H66N8O12 898.48 NA PeJP NA NA +PJ071578 PLLLEEW C44H66N8O12 898.4801 NA PeJP NA NA +PJ071579 ASPPCLRR C37H66N14O10S 898.4807 NA PeJP NA NA +PJ071580 PPDKMRR C37H66N14O10S 898.4808 NA PeJP NA NA +PJ071581 AAPLRWW C45H62N12O8 898.4814 NA PeJP NA NA +PJ071582 SPPLLLEM C41H70N8O12S 898.4834 NA PeJP NA NA +PJ071583 SSTHRRR C34H62N18O11 898.4846 NA PeJP NA NA +PJ071584 PPCLKRW C42H66N12O8S 898.4848 NA PeJP NA NA +PJ071585 PLQKEER C38H66N12O13 898.4873 NA PeJP NA NA +PJ071586 VLLMMHR C39H70N12O8S2 898.4881 NA PeJP NA NA +PJ071587 PERRRW C39H62N16O9 898.4886 NA PeJP NA NA +PJ071588 PVLQKEW C43H66N10O11 898.4913 NA PeJP NA NA +PJ071589 SPPMRRR C36H66N16O9S 898.492 NA PeJP NA NA +MJ097188 2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?3)-?-D-glucopyranoside] C46H74O17 898.4926 NA MeJP NA NA +MJ097189 21,23-Epoxy-3,20,21-trihydroxydammar-24-en-19-al, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] C46H74O17 898.4926 NA MeJP NA NA +MJ097190 3,11,12,14-Tetrahydroxypregnan-20-one, 11,12-Di-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] C46H74O17 898.4926 NA MeJP NA NA +MJ097191 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C46H74O17 898.4926 NA MeJP NA NA +MJ097192 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?4)-?-L-arabinopyranosyl-(1?3)-?-D-glucopyranoside] C46H74O17 898.4926 NA MeJP NA NA +MJ097193 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl-(1?2)-L-arabinopyranoside] C46H74O17 898.4926 NA MeJP NA NA +MJ097194 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C46H74O17 898.4926 NA MeJP NA NA +MJ097195 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside], 28-O-?-L-arabinopyranosyl ester C46H74O17 898.4926 NA MeJP NA NA +MJ097196 3,27-Dihydroxy-20(29)-lupen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?3)-?-L-arabinopyranosyl-(1?3)-?-D-glucopyranoside] C46H74O17 898.4926 NA MeJP NA NA +MJ097197 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] C46H74O17 898.4926 NA MeJP NA NA +MJ097198 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-Cymaropyranosyl-(1?4)-?-digitoxopyranosyl-(1?4)-?-olivopyranosyl-(1?4)-?-digitoxopyranoside] C46H74O17 898.4926 NA MeJP NA NA +MJ097199 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] C46H74O17 898.4926 NA MeJP NA NA +MJ097200 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-digitoxopyranosyl-(1?4)-?-D-olivopyranosyl-(1?4)-?-D-digitoxopyranoside] C46H74O17 898.4926 NA MeJP NA NA +MJ097201 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-L-arabinopyranoside] C46H74O17 898.4926 NA MeJP NA NA +MJ097202 Hederagenin bisdesmosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester C46H74O17 898.4926 NA MeJP NA NA +MJ097203 Hederagenin bisdesmosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-D-glucopyranoside], 28-O-?-L-arabinopyranosyl ester C46H74O17 898.4926 NA MeJP NA NA +MJ097204 Jujubogenin; 3-O-[?-D-Xylopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] C46H74O17 898.4926 NA MeJP NA NA +MJ097205 Jujubogenin; 3-O-[?-L-Arabinofuranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] C46H74O17 898.4926 NA MeJP NA NA +MJ097206 Pseudojujubogenin; 3-O-[?-D-Glucopyranosyl-(1?3)-[?-L-arabinofuranosyl-(1?2)]-?-L-arabinopyranoside] C46H74O17 898.4926 NA MeJP NA NA +MJ097207 Pseudojujubogenin; 3-O-[?-L-Arabinofuranosyl-(1?6)-[?-L-arabinopyranosyl-(1?5)]-?-D-glucofuranoside] C46H74O17 898.4926 NA MeJP NA NA +MJ097208 Spirostane-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-4-acetyl-?-L-arabinopyranoside] C46H74O17 898.4926 NA MeJP NA NA +PJ071590 PVRRWW C44H62N14O7 898.4926 NA PeJP NA NA +MJ097209 Kabiramide C; 21-De-O-(aminocarbonyl) C47H70N4O13 898.493938 NA MeJP NA NA +PJ071591 TTKKKMY C40H70N10O11S 898.4947 NA PeJP NA NA +PJ071592 PVVKFFY C48H66N8O9 898.4953 NA PeJP NA NA +MJ097210 Stachybocin A; 17'?-Hydroxy C52H70N2O11 898.497961 NA MeJP NA NA +MJ097211 Stachybocin A; 17?-Hydroxy C52H70N2O11 898.497961 NA MeJP NA NA +PJ071593 PVDKERR C37H66N14O12 898.4985 NA PeJP NA NA +PJ071594 VVLKMFY C45H70N8O9S 898.4987 NA PeJP NA NA +PJ071595 QHFRRR C38H62N18O8 898.4998 NA PeJP NA NA +PJ071596 GAHFRRR C38H62N18O8 898.4999 NA PeJP NA NA +PJ071597 SPVLLLEE C41H70N8O14 898.5012 NA PeJP NA NA +PJ071598 PPVVLLMM C42H74N8O9S2 898.5021 NA PeJP NA NA +PJ071599 APLKERW C42H66N12O10 898.5025 NA PeJP NA NA +PJ071600 GPPTLKMR C39H70N12O10S 898.5059 NA PeJP NA NA +PJ071601 KKKFYW C47H66N10O8 898.5065 NA PeJP NA NA +PJ071602 GPLLKWW C47H66N10O8 898.5066 NA PeJP NA NA +MJ097212 Doramectin C50H74O14 898.507857 NA MeJP NA NA +PJ071603 SPVERRR C36H66N16O11 898.5097 NA PeJP NA NA +PJ071604 GGGAPTKRR C36H66N16O11 898.5098 NA PeJP NA NA +PJ071605 PPLKKMW C44H70N10O8S 898.5099 NA PeJP NA NA +PJ071606 TTTTLLLH C40H70N10O13 898.5124 NA PeJP NA NA +PJ071607 APTLRRW C41H66N14O9 898.5138 NA PeJP NA NA +PJ071608 SLLLKYY C45H70N8O11 898.5164 NA PeJP NA NA +PJ071609 APPLLLEF C45H70N8O11 898.5165 NA PeJP NA NA +PJ071610 PVLQMRR C38H70N14O9S 898.5171 NA PeJP NA NA +PJ071611 APLLLLEM C42H74N8O11S 898.5198 NA PeJP NA NA +PJ071612 GVQQRRR C35H66N18O10 898.521 NA PeJP NA NA +PJ071613 LLLQQER C39H70N12O12 898.5236 NA PeJP NA NA +PJ071614 PLKKEER C39H70N12O12 898.5237 NA PeJP NA NA +PJ071615 APPFRRR C40H66N16O8 898.525 NA PeJP NA NA +PJ071616 PVLKKEW C44H70N10O10 898.5277 NA PeJP NA NA +PJ071617 APLMRRR C37H70N16O8S 898.5284 NA PeJP NA NA +MJ097213 12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-L-arabinopyranoside] C47H78O16 898.528986 NA MeJP NA NA +MJ097214 Pregn-5-ene-3,11,12,14,20-pentol, 20-O-(3-Methylbutanoyl), 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C47H78O16 898.528986 NA MeJP NA NA +MJ097215 Stigmasta-7,22-dien-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C47H78O16 898.528986 NA MeJP NA NA +PJ071618 SPPVLKKM C41H74N10O10S 898.5311 NA PeJP NA NA +PJ071619 VVLKFFF C49H70N8O8 898.5317 NA PeJP NA NA +PJ071620 QQRRRR C34H66N20O9 898.5322 NA PeJP NA NA +PJ071621 PTLKERR C38H70N14O11 898.5349 NA PeJP NA NA +PJ071622 KHFRRR C39H66N18O7 898.5362 NA PeJP NA NA +PJ071623 GLLLLLEE C42H74N8O13 898.5376 NA PeJP NA NA +MJ097216 Cangorosin B C58H74O8 898.538369 NA MeJP NA NA +MJ097217 Xuxuarine F? C58H74O8 898.538369 NA MeJP NA NA +MJ097218 Xuxuarine G? C58H74O8 898.538369 NA MeJP NA NA +PJ071624 SPLLKRW C43H70N12O9 898.5389 NA PeJP NA NA +MJ097219 Foromacidin A; 3-Propanoyl C46H78N2O15 898.540219 NA MeJP NA NA +PJ071625 AAPLLKMR C40H74N12O9S 898.5423 NA PeJP NA NA +PJ071626 GLLERRR C37H70N16O10 898.5461 NA PeJP NA NA +PJ071627 APTLLKKE C41H74N10O12 898.5488 NA PeJP NA NA +PJ071628 GVLLRRW C42H70N14O8 898.5502 NA PeJP NA NA +PJ071629 LLLLLEW C46H74N8O10 898.5528 NA PeJP NA NA +PJ071630 PVLKMRR C39H74N14O8S 898.5535 NA PeJP NA NA +PJ071631 SPLLLLLM C43H78N8O10S 898.5562 NA PeJP NA NA +PJ071632 GVQKRRR C36H70N18O9 898.5574 NA PeJP NA NA +PJ071633 LLLQKER C40H74N12O11 898.56 NA PeJP NA NA +PJ071634 GALLLKER C40H74N12O11 898.5601 NA PeJP NA NA +PJ071635 LLRRRW C41H70N16O7 898.5614 NA PeJP NA NA +PJ071636 VLLLQKW C45H74N10O9 898.5641 NA PeJP NA NA +PJ071637 GPLLLKKM C42H78N10O9S 898.5674 NA PeJP NA NA +PJ071638 QKRRRR C35H70N20O8 898.5686 NA PeJP NA NA +MJ097220 Ritterazine B C54H78N2O9 898.570732 NA MeJP NA NA +MJ097221 Ritterazine C C54H78N2O9 898.570732 NA MeJP NA NA +PJ071639 VVLKERR C39H74N14O10 898.5713 NA PeJP NA NA +PJ071640 SVLLLLLE C43H78N8O12 898.574 NA PeJP NA NA +PJ071641 ALLLKRW C44H74N12O8 898.5753 NA PeJP NA NA +PJ071642 SVLLRRR C38H74N16O9 898.5825 NA PeJP NA NA +PJ071643 GVLLLKKE C42H78N10O11 898.5852 NA PeJP NA NA +PJ071644 APLLLLLF C47H78N8O9 898.5892 NA PeJP NA NA +PJ071645 ALLLLLLM C44H82N8O9S 898.5926 NA PeJP NA NA +PJ071646 GVKKRRR C37H74N18O8 898.5938 NA PeJP NA NA +PJ071647 LLLKKER C41H78N12O10 898.5964 NA PeJP NA NA +PJ071648 VLLLKKW C46H78N10O8 898.6005 NA PeJP NA NA +PJ071649 KKRRRR C36H74N20O7 898.605 NA PeJP NA NA +PJ071650 TLLLKRR C40H78N14O9 898.6077 NA PeJP NA NA +PJ071651 TTLLLLLL C44H82N8O11 898.6103 NA PeJP NA NA +PJ071652 ALKKKRR C39H78N16O8 898.6189 NA PeJP NA NA +PJ071653 ATLLLLKK C43H82N10O10 898.6216 NA PeJP NA NA +PJ071654 AALLKKKK C42H82N12O9 898.6328 NA PeJP NA NA +PJ071655 VLKKKKR C41H82N14O8 898.644 NA PeJP NA NA +MJ097222 13-Hydroxyingenol; 6?,7?-Epoxide, 3-O-(2,3-dimethylbutanoyl), 13-O-dodecanoyl, 20-O-hexadecanoyl C54H90O10 898.653399 NA MeJP NA NA +MJ097223 1',2'-Dihydro-?-caroten-1'-ol; O-(6-Dodecanoyl-?-D-glucopyranoside) C58H90O7 898.668655 NA MeJP NA NA +MJ097224 3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,34-hexatriacontatetraene-1,15,19,23,27,31-hexol; 3,4-Epoxide, 1-O-?-glucopyranoside C51H94O12 898.674528 NA MeJP NA NA +MJ097225 3,7,11,15,19,23,27-Heptamethyl-30-[tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-2,6,10-triacontatriene-1,15,19,23,27-pentol; 1-O-?-D-Mannopyranoside C51H94O12 898.674528 NA MeJP NA NA +HMDB10508 TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C59H94O6 898.705017 NA HMDB2010 NA NA +HMDB10513 TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))[iso3] C59H94O6 898.705017 NA HMDB2010 NA NA +MJ097226 Ioglucomide C20H28I3N3O13 898.875618 NA MeJP NA NA +PJ071656 GCCCCCCCC C26H45N9O10S8 899.1056 NA PeJP NA NA +C15524 Phenylglyoxylyl-CoA C29H40N7O18P3S 899.1363 NA KEGG NA NA +MetaCyc04274 2'-(5-phosphoribosyl)-3'-dephospho-CoA''$$$''$$$2-5-phosphoribosyl-3-dephospho-CoA;'' [] C26H44N7O20P3S1 899.157467 NA metacyc NA NA +MetaCyc04275 3-phenylpropionyl-CoA [dihydrocinnamoyl-CoA;] C30H44N7O17P3S1 899.172723 NA metacyc NA NA +PJ071657 CCCCCNDH C29H45N11O12S5 899.1853 NA PeJP NA NA +PJ071658 GPPCCCCCD C31H49N9O12S5 899.2105 NA PeJP NA NA +PJ071659 CCCNNNDD C29H45N11O16S3 899.2208 NA PeJP NA NA +PJ071660 GGGGGGCCCDD C29H45N11O16S3 899.2209 NA PeJP NA NA +PJ071661 SCCCCNMH C30H49N11O11S5 899.2217 NA PeJP NA NA +PJ071662 SCCNDDDE C30H45N9O19S2 899.2273 NA PeJP NA NA +PJ071663 GGSCCDDDE C30H45N9O19S2 899.2274 NA PeJP NA NA +PJ071664 PCCCNDDM C31H49N9O14S4 899.2282 NA PeJP NA NA +PJ071665 CCCDMYY C36H49N7O12S4 899.2322 NA PeJP NA NA +PJ071666 GSSTCCCCH C30H49N11O13S4 899.2395 NA PeJP NA NA +PJ071667 GSCCDDDW C34H45N9O16S2 899.2426 NA PeJP NA NA +PJ071668 GPCCCCEW C35H49N9O11S4 899.2435 NA PeJP NA NA +PJ071669 GSSSCDDDD C30H45N9O21S 899.2451 NA PeJP NA NA +PJ071670 GCNDDDMM C31H49N9O16S3 899.246 NA PeJP NA NA +PJ071671 APPTCCCCC C32H53N9O11S5 899.2468 NA PeJP NA NA +PJ071672 GSPPCCCCM C32H53N9O11S5 899.2469 NA PeJP NA NA +PJ071673 CCCMMFY C37H53N7O9S5 899.2509 NA PeJP NA NA +PJ071674 GCCCCQHF C34H49N11O10S4 899.2547 NA PeJP NA NA +PJ071675 GCCCDDER C30H49N11O15S3 899.2572 NA PeJP NA NA +PJ071676 TCCCCCKH C31H53N11O10S5 899.2581 NA PeJP NA NA +PJ071677 PCCCCWW C39H49N9O8S4 899.2587 NA PeJP NA NA +PJ071678 GCNDDDDF C34H45N9O18S 899.2604 NA PeJP NA NA +PJ071679 CCNDEMW C35H49N9O13S3 899.2612 NA PeJP NA NA +PJ071680 SSCNDDEM C31H49N9O18S2 899.2637 NA PeJP NA NA +PJ071681 SPCCNDMM C32H53N9O13S4 899.2646 NA PeJP NA NA +PJ071682 GCCNDDHH C32H45N13O14S2 899.2651 NA PeJP NA NA +PJ071683 CCCDFFY C40H49N7O11S3 899.2653 NA PeJP NA NA +PJ071684 DDDDEEY C35H45N7O21 899.2669 NA PeJP NA NA +PJ071685 SCCMMYY C37H53N7O11S4 899.2686 NA PeJP NA NA +MJ097227 2-Hydroxy-2-(3-hydroxyphenyl)acetic acid, Nitrile, 2-O-[[5-O-[4-?-D-(glucopyranosyl)caffeoyl]-?-D-apiofuranosyl]-(1?4)-?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C39H49NO23 899.269536 NA MeJP NA NA +PJ071686 DDEEMMM C33H53N7O16S3 899.2711 NA PeJP NA NA +PJ071687 CCCDDRW C34H49N11O12S3 899.2725 NA PeJP NA NA +PJ071688 SSCCDDDR C30H49N11O17S2 899.275 NA PeJP NA NA +PJ071689 SPCCCCER C31H53N11O12S4 899.2758 NA PeJP NA NA +PJ071690 GGGGGCCQMM C31H53N11O12S4 899.2759 NA PeJP NA NA +PJ071691 GCCDMWW C39H49N9O10S3 899.2765 NA PeJP NA NA +PJ071692 GSNDDDDY C34H45N9O20 899.2781 NA PeJP NA NA +PJ071693 GSSCDDMW C35H49N9O15S2 899.279 NA PeJP NA NA +PJ071694 GPTCCCMW C36H53N9O10S4 899.2799 NA PeJP NA NA +PJ071695 GSSSSDDDM C31H49N9O20S 899.2815 NA PeJP NA NA +PJ071696 GSNDDMMM C32H53N9O15S3 899.2824 NA PeJP NA NA +PJ071697 GCCEYYY C40H49N7O13S2 899.283 NA PeJP NA NA +PJ071698 GPCCQMMM C33H57N9O10S5 899.2832 NA PeJP NA NA +PJ071699 SPCCCNHH C33H49N13O11S3 899.2837 NA PeJP NA NA +PJ071700 CCCMFFF C41H53N7O8S4 899.2839 NA PeJP NA NA +PJ071701 DDDEEMF C36H49N7O18S 899.2855 NA PeJP NA NA +PJ071702 GCCCNNMR C30H53N13O11S4 899.2871 NA PeJP NA NA +MJ097228 1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,2,8-Tris(3-pyridinecarbonyl), 6,9-dibenzoyl, 14-Ac C49H45N3O14 899.290153 NA MeJP NA NA +PJ071703 SSSCCNNW C34H49N11O14S2 899.2902 NA PeJP NA NA +PJ071704 GGGGGGGCCEF C34H49N11O14S2 899.2903 NA PeJP NA NA +PJ071705 GCCCCKHF C35H53N11O9S4 899.2911 NA PeJP NA NA +PJ071706 SSSSSCNND C30H49N11O19S 899.2927 NA PeJP NA NA +PJ071707 GSCCDEMR C31H53N11O14S3 899.2936 NA PeJP NA NA +PJ071708 SSCCEWW C39H49N9O12S2 899.2942 NA PeJP NA NA +PJ071709 GGPCCDYW C39H49N9O12S2 899.2943 NA PeJP NA NA +PJ071710 GPCCCMMR C32H57N11O9S5 899.2945 NA PeJP NA NA +PJ071711 SSSSCDEW C35H49N9O17S 899.2967 NA PeJP NA NA +PJ071712 GGNDDEMY C35H49N9O17S 899.2968 NA PeJP NA NA +PJ071713 SCNEMMW C36H53N9O12S3 899.2976 NA PeJP NA NA +PJ071714 CCYYYW C44H49N7O10S2 899.2983 NA PeJP NA NA +PJ071715 SSSSSSDDE C31H49N9O22 899.2992 NA PeJP NA NA +PJ071716 SSSNDEMM C32H53N9O17S2 899.3001 NA PeJP NA NA +PJ071717 GNNNDDDH C32H45N13O18 899.3006 NA PeJP NA NA +PJ071718 SSCDYYY C40H49N7O15S 899.3007 NA PeJP NA NA +PJ071719 NNEMMMM C33H57N9O12S4 899.301 NA PeJP NA NA +PJ071720 GSCNDMHH C33H49N13O13S2 899.3015 NA PeJP NA NA +PJ071721 ACCMFYY C41H53N7O10S3 899.3016 NA PeJP NA NA +PJ071722 SDEEEEY C36H49N7O20 899.3033 NA PeJP NA NA +PJ071723 PDDEMMY C37H53N7O15S2 899.3041 NA PeJP NA NA +PJ071724 DDDDHHF C37H45N11O16 899.3046 NA PeJP NA NA +PJ071725 SSCCCNQR C30H53N13O13S3 899.3048 NA PeJP NA NA +PJ071726 CCNNNFW C38H49N11O11S2 899.3055 NA PeJP NA NA +PJ071727 TEEEMMM C34H57N7O15S3 899.3075 NA PeJP NA NA +PJ071728 CNDDDRY C34H49N11O16S 899.308 NA PeJP NA NA +PJ071729 PEMMMMM C35H61N7O10S5 899.3084 NA PeJP NA NA +PJ071730 SCCDMRW C35H53N11O11S3 899.3088 NA PeJP NA NA +PJ071731 TCCCERW C35H53N11O11S3 899.3089 NA PeJP NA NA +PJ071732 CDDHHHH C35H45N15O12S 899.3093 NA PeJP NA NA +PJ071733 GSSSSCNQM C31H53N11O16S2 899.3113 NA PeJP NA NA +PJ071734 SSSCDDMR C31H53N11O16S2 899.3114 NA PeJP NA NA +PJ071735 GNDDMYW C39H49N9O14S 899.312 NA PeJP NA NA +PJ071736 CNDMMMR C32H57N11O11S4 899.3122 NA PeJP NA NA +PJ071737 GSCMMWW C40H53N9O9S3 899.3129 NA PeJP NA NA +PJ071738 GSSNDEEY C35H49N9O19 899.3145 NA PeJP NA NA +PJ071739 GSSSDMMW C36H53N9O14S2 899.3154 NA PeJP NA NA +PJ071740 GNMMMMW C37H57N9O9S4 899.3162 NA PeJP NA NA +PJ071741 GGGMMMMW C37H57N9O9S4 899.3163 NA PeJP NA NA +PJ071742 SCCQHHW C37H49N13O10S2 899.3167 NA PeJP NA NA +PJ071743 GSSSSSEEM C32H53N9O19S 899.3179 NA PeJP NA NA +PJ071744 PDDDEFY C40H49N7O17 899.3185 NA PeJP NA NA +PJ071745 GSSQEMMM C33H57N9O14S3 899.3187 NA PeJP NA NA +PJ071746 GGGSTEMMM C33H57N9O14S3 899.3188 NA PeJP NA NA +PJ071747 SSSCNEHH C33H49N13O15S 899.3192 NA PeJP NA NA +PJ071748 GTCMYYY C41H53N7O12S2 899.3194 NA PeJP NA NA +PJ071749 GPCCKMMM C34H61N9O9S5 899.3196 NA PeJP NA NA +PJ071750 CNQMMHH C34H53N13O10S3 899.3201 NA PeJP NA NA +PJ071751 AEEEEMY C37H53N7O17S 899.3219 NA PeJP NA NA +PJ071752 GSSSSCCNR C30H53N13O15S2 899.3226 NA PeJP NA NA +PJ071753 PDEMMMF C38H57N7O12S3 899.3228 NA PeJP NA NA +PJ071754 SCNNNYW C38H49N11O13S 899.3232 NA PeJP NA NA +PJ071755 GGGGGGSCYW C38H49N11O13S 899.3233 NA PeJP NA NA +PJ071756 CCCEMRR C31H57N13O10S4 899.3235 NA PeJP NA NA +PJ071757 SSSNNNDY C34H49N11O18 899.3257 NA PeJP NA NA +PJ071758 GGGGGGSSSDY C34H49N11O18 899.3258 NA PeJP NA NA +PJ071759 VEEMMMM C35H61N7O12S4 899.3261 NA PeJP NA NA +PJ071760 GSPCCDRY C35H53N11O13S2 899.3266 NA PeJP NA NA +PJ071761 CNEYWW C43H49N9O11S 899.3273 NA PeJP NA NA +PJ071762 ACCMMRW C36H57N11O8S4 899.3275 NA PeJP NA NA +PJ071763 SSSSSSNNM C31H53N11O18S 899.3291 NA PeJP NA NA +PJ071764 SSDEHYY C39H49N9O16 899.3297 NA PeJP NA NA +PJ071765 SSNDEYW C39H49N9O16 899.3298 NA PeJP NA NA +PJ071766 GSSCEMMR C32H57N11O13S3 899.33 NA PeJP NA NA +PJ071767 GCNNNNQH C32H49N15O14S 899.3304 NA PeJP NA NA +PJ071768 GGGCNNNQH C32H49N15O14S 899.3305 NA PeJP NA NA +PJ071769 SSTCMWW C40H53N9O11S2 899.3306 NA PeJP NA NA +PJ071770 CCNMHHR C33H53N15O9S3 899.3313 NA PeJP NA NA +PJ071771 SSSSSEMW C36H53N9O16S 899.3331 NA PeJP NA NA +PJ071772 GGPPPDDDM C36H53N9O16S 899.3332 NA PeJP NA NA +PJ071773 NDYYYY C44H49N7O14 899.3338 NA PeJP NA NA +PJ071774 SSQMMMW C37H57N9O11S3 899.334 NA PeJP NA NA +PJ071775 GSSSCHHW C37H49N13O12S 899.3345 NA PeJP NA NA +PJ071776 ACCFFFY C45H53N7O9S2 899.3346 NA PeJP NA NA +PJ071777 SSSSSSTEE C32H53N9O21 899.3356 NA PeJP NA NA +PJ071778 SSSTQEMM C33H57N9O16S2 899.3365 NA PeJP NA NA +PJ071779 NDDDEHR C33H49N13O17 899.337 NA PeJP NA NA +PJ071780 SSSMYYY C41H53N7O14S 899.3371 NA PeJP NA NA +PJ071781 PPDDMYY C41H53N7O14S 899.3372 NA PeJP NA NA +PJ071782 NDKMMMM C34H61N9O11S4 899.3374 NA PeJP NA NA +PJ071783 CCNNQRY C34H53N13O12S2 899.3378 NA PeJP NA NA +PJ071784 GGGACCNRY C34H53N13O12S2 899.3379 NA PeJP NA NA +PJ071785 GPCDHWW C42H49N11O10S 899.3385 NA PeJP NA NA +PJ071786 TTEEEEY C37H53N7O19 899.3396 NA PeJP NA NA +PJ071787 PTEEMMY C38H57N7O14S2 899.3405 NA PeJP NA NA +PJ071788 GNEEEHW C38H49N11O15 899.341 NA PeJP NA NA +PJ071789 SSCCCNKR C31H57N13O12S3 899.3412 NA PeJP NA NA +PJ071790 PPMMMMY C39H61N7O9S4 899.3414 NA PeJP NA NA +PJ071791 GCCEFRW C39H53N11O10S2 899.3419 NA PeJP NA NA +PJ071792 GCYWWW C47H49N9O8S 899.3425 NA PeJP NA NA +PJ071793 SNDDMRY C35H53N11O15S 899.3444 NA PeJP NA NA +PJ071794 GSSDYWW C43H49N9O13 899.345 NA PeJP NA NA +PJ071795 SSCMMRW C36H57N11O10S3 899.3452 NA PeJP NA NA +PJ071796 GGAPPCMMH C36H57N11O10S3 899.3453 NA PeJP NA NA +PJ071797 SDMHHHH C36H49N15O11S 899.3457 NA PeJP NA NA +PJ071798 CQMFWW C44H53N9O8S2 899.3459 NA PeJP NA NA +PJ071799 GSSSSSSSSQ C31H53N11O20 899.3469 NA PeJP NA NA +PJ071800 SSSSDMMR C32H57N11O15S2 899.3477 NA PeJP NA NA +PJ071801 SSNNNNNH C32H49N15O16 899.3482 NA PeJP NA NA +MJ097229 Mureidomycin A; N13-Glycyl, 5'',6''-dihydro C40H53N9O13S 899.348353 NA MeJP NA NA +PJ071802 GSQEMYW C40H53N9O13S 899.3484 NA PeJP NA NA +PJ071803 SNMMMMR C33H61N11O10S4 899.3486 NA PeJP NA NA +PJ071804 GSTCCHHR C33H53N15O11S2 899.3491 NA PeJP NA NA +PJ071805 GMMMHFF C41H57N9O8S3 899.3493 NA PeJP NA NA +PJ071806 GCNHHFW C41H49N13O9S 899.3497 NA PeJP NA NA +PJ071807 GSSTQEEY C36H53N9O18 899.3509 NA PeJP NA NA +PJ071808 GSSTTMMW C37H57N9O13S2 899.3518 NA PeJP NA NA +PJ071809 GDDDHRW C37H49N13O14 899.3522 NA PeJP NA NA +PJ071810 GGGGGGSEHW C37H49N13O14 899.3523 NA PeJP NA NA +PJ071811 NMFYYY C45H53N7O11S 899.3524 NA PeJP NA NA +PJ071812 ACKMMMW C38H61N9O8S4 899.3526 NA PeJP NA NA +PJ071813 SCCKHHW C38H53N13O9S2 899.3531 NA PeJP NA NA +PJ071814 ASSSSTTEM C33H57N9O18S 899.3542 NA PeJP NA NA +PJ071815 GSSSTTTEM C33H57N9O18S 899.3543 NA PeJP NA NA +PJ071816 APEEEYY C41H53N7O16 899.3549 NA PeJP NA NA +PJ071817 GSSKEMMM C34H61N9O13S3 899.3551 NA PeJP NA NA +PJ071818 GSSCNNRY C34H53N13O14S 899.3556 NA PeJP NA NA +PJ071819 PPDMMFY C42H57N7O11S2 899.3558 NA PeJP NA NA +PJ071820 NEEHWW C42H49N11O12 899.3563 NA PeJP NA NA +PJ071821 PCCCRRY C35H57N13O9S3 899.3565 NA PeJP NA NA +PJ071822 CCFRWW C43H53N11O7S2 899.3571 NA PeJP NA NA +PJ071823 SLEEEMY C38H57N7O16S 899.3583 NA PeJP NA NA +PJ071824 PVEMMMY C39H61N7O11S3 899.3592 NA PeJP NA NA +PJ071825 GSCERYW C39H53N11O12S 899.3596 NA PeJP NA NA +PJ071826 GGGGGGGGMFF C39H53N11O12S 899.3597 NA PeJP NA NA +PJ071827 TCCMMRR C32H61N13O9S4 899.3598 NA PeJP NA NA +PJ071828 GCCCCKKR C32H61N13O9S4 899.3599 NA PeJP NA NA +PJ071829 GSSSDERY C35H53N11O17 899.3621 NA PeJP NA NA +PJ071830 GGGGGGSPPEE C35H53N11O17 899.3622 NA PeJP NA NA +PJ071831 GNEMMRY C36H57N11O12S2 899.363 NA PeJP NA NA +PJ071832 GSPNDHHH C36H49N15O13 899.3635 NA PeJP NA NA +PJ071833 SQMYWW C44H53N9O10S 899.3636 NA PeJP NA NA +PJ071834 GGAPCFYW C44H53N9O10S 899.3637 NA PeJP NA NA +PJ071835 AMMHHHH C37H53N15O8S2 899.3643 NA PeJP NA NA +PJ071836 SSSSSSCQK C32H57N11O17S 899.3655 NA PeJP NA NA +PJ071837 SSTQEYW C40H53N9O15 899.3661 NA PeJP NA NA +PJ071838 PPNEEEW C40H53N9O15 899.3662 NA PeJP NA NA +PJ071839 GSSTMMMR C33H61N11O12S3 899.3664 NA PeJP NA NA +PJ071840 SSSSCHHR C33H53N15O13S 899.3668 NA PeJP NA NA +PJ071841 GGGGNDMHR C33H53N15O13S 899.3669 NA PeJP NA NA +PJ071842 AAQMMYW C41H57N9O10S2 899.367 NA PeJP NA NA +PJ071843 GSNNHWW C41H49N13O11 899.3675 NA PeJP NA NA +PJ071844 SSSTTTMW C37H57N9O15S 899.3695 NA PeJP NA NA +PJ071845 TQYYYY C45H53N7O13 899.3701 NA PeJP NA NA +PJ071846 GATYYYY C45H53N7O13 899.3702 NA PeJP NA NA +PJ071847 SSKMMMW C38H61N9O10S3 899.3704 NA PeJP NA NA +PJ071848 ANNQMHW C38H53N13O11S 899.3708 NA PeJP NA NA +PJ071849 SPCDHRW C38H53N13O11S 899.3709 NA PeJP NA NA +PJ071850 GEHWWW C46H49N11O9 899.3715 NA PeJP NA NA +PJ071851 SSSSTTTTE C33H57N9O20 899.372 NA PeJP NA NA +PJ071852 SSSTKEMM C34H61N9O15S2 899.3729 NA PeJP NA NA +PJ071853 ASSSSSTHH C34H53N13O16 899.3733 NA PeJP NA NA +PJ071854 SNEEEHR C34H53N13O16 899.3734 NA PeJP NA NA +PJ071855 PPTEMYY C42H57N7O13S 899.3735 NA PeJP NA NA +PJ071856 TQKMMMM C35H65N9O10S4 899.3738 NA PeJP NA NA +PJ071857 GCDMRRY C35H57N13O11S2 899.3742 NA PeJP NA NA +PJ071858 GGGGPPPCCR C35H57N13O11S2 899.3743 NA PeJP NA NA +PJ071859 PPMMMFF C43H61N7O8S3 899.3744 NA PeJP NA NA +PJ071860 NNNQHHH C35H49N17O12 899.3747 NA PeJP NA NA +PJ071861 SCRYWW C43H53N11O9S 899.3749 NA PeJP NA NA +PJ071862 VVEEMMY C39H61N7O13S2 899.3769 NA PeJP NA NA +PJ071863 SSSDRYW C39H53N11O14 899.3774 NA PeJP NA NA +PJ071864 PLMMMMF C40H65N7O8S4 899.3778 NA PeJP NA NA +PJ071865 NMMRYW C40H57N11O9S2 899.3782 NA PeJP NA NA +PJ071866 GGMMRYW C40H57N11O9S2 899.3783 NA PeJP NA NA +PJ071867 GEHHHHF C40H49N15O10 899.3787 NA PeJP NA NA +PJ071868 SSQEMRY C36H57N11O14S 899.3807 NA PeJP NA NA +PJ071869 GGSTEMRY C36H57N11O14S 899.3808 NA PeJP NA NA +PJ071870 LLMMMMM C37H69N7O8S5 899.3812 NA PeJP NA NA +PJ071871 GSTTYWW C44H53N9O12 899.3814 NA PeJP NA NA +PJ071872 PCCKMRY C37H61N11O9S3 899.3816 NA PeJP NA NA +PJ071873 GCNQHRW C37H53N15O10S 899.3821 NA PeJP NA NA +PJ071874 CKMFWW C45H57N9O7S2 899.3823 NA PeJP NA NA +PJ071875 GSSSSSSSSK C32H57N11O19 899.3832 NA PeJP NA NA +PJ071876 SSSTTMMR C33H61N11O14S2 899.3841 NA PeJP NA NA +PJ071877 SDDDHRR C33H53N15O15 899.3846 NA PeJP NA NA +PJ071878 GSKEMYW C41H57N9O12S 899.3848 NA PeJP NA NA +PJ071879 TCKMMMR C34H65N11O9S4 899.385 NA PeJP NA NA +PJ071880 NFFFYY C49H53N7O10 899.3854 NA PeJP NA NA +PJ071881 PCCEHRR C34H57N15O10S2 899.3855 NA PeJP NA NA +PJ071882 HWWWW C50H49N11O6 899.3868 NA PeJP NA NA +PJ071883 GSSTKEEY C37H57N9O17 899.3873 NA PeJP NA NA +PJ071884 AQKEMMY C38H61N9O12S2 899.3881 NA PeJP NA NA +PJ071885 GAAKEMMY C38H61N9O12S2 899.3882 NA PeJP NA NA +PJ071886 GSEEHRW C38H53N13O13 899.3886 NA PeJP NA NA +PJ071887 GGGGGGGGAAPW C38H53N13O13 899.3887 NA PeJP NA NA +PJ071888 PPDMFFF C46H57N7O10S 899.3888 NA PeJP NA NA +PJ071889 APCMHRW C39H57N13O8S2 899.3895 NA PeJP NA NA +PJ071890 SSSSSTTLM C34H61N9O17S 899.3906 NA PeJP NA NA +PJ071891 SPLEEYY C42H57N7O15 899.3913 NA PeJP NA NA +PJ071892 GTTTKMMM C35H65N9O12S3 899.3915 NA PeJP NA NA +PJ071893 SSCERRY C35H57N13O13S 899.392 NA PeJP NA NA +PJ071894 PPVMMYY C43H61N7O10S2 899.3922 NA PeJP NA NA +PJ071895 DKEHWW C43H53N11O11 899.3926 NA PeJP NA NA +PJ071896 GGGGSPPWW C43H53N11O11 899.3927 NA PeJP NA NA +PJ071897 GCMMFRR C36H61N13O8S3 899.3929 NA PeJP NA NA +PJ071898 PCNHHHR C36H53N17O9S 899.3933 NA PeJP NA NA +PJ071899 HHHHFW C44H49N15O7 899.394 NA PeJP NA NA +PJ071900 VLEMMMF C40H65N7O10S3 899.3955 NA PeJP NA NA +PJ071901 GSTMRYW C40H57N11O11S 899.396 NA PeJP NA NA +PJ071902 PPEWWW C48H53N9O9 899.3967 NA PeJP NA NA +PJ071903 GSSTTERY C36H57N11O16 899.3985 NA PeJP NA NA +PJ071904 GDKMMRY C37H61N11O11S2 899.3994 NA PeJP NA NA +PJ071905 SSNNHRW C37H53N15O12 899.3998 NA PeJP NA NA +PJ071906 GGSSNHRW C37H53N15O12 899.3999 NA PeJP NA NA +PJ071907 SKMYWW C45H57N9O9S 899.4 NA PeJP NA NA +PJ071908 SSSSSSCKK C33H61N11O16S 899.4019 NA PeJP NA NA +PJ071909 SSTKEYW C41H57N9O14 899.4025 NA PeJP NA NA +PJ071910 STCCCKKK C34H65N11O11S3 899.4028 NA PeJP NA NA +PJ071911 GDEMHRR C34H57N15O12S 899.4032 NA PeJP NA NA +PJ071912 AAKMMYW C42H61N9O9S2 899.4034 NA PeJP NA NA +PJ071913 SEHRWW C42H53N13O10 899.4039 NA PeJP NA NA +PJ071914 SDKKEMY C38H61N9O14S 899.4059 NA PeJP NA NA +PJ071915 TKYYYY C46H57N7O12 899.4065 NA PeJP NA NA +PJ071916 PPVDFYY C46H57N7O12 899.4066 NA PeJP NA NA +PJ071917 PCKKMMY C39H65N9O9S3 899.4068 NA PeJP NA NA +PJ071918 AAEMHRW C39H57N13O10S 899.4072 NA PeJP NA NA +PJ071919 GVDMHRW C39H57N13O10S 899.4073 NA PeJP NA NA +PJ071920 SVHWWW C47H53N11O8 899.4079 NA PeJP NA NA +PJ071921 SSTTTTTTT C34H61N9O19 899.4084 NA PeJP NA NA +PJ071922 STTTTKMM C35H65N9O14S2 899.4093 NA PeJP NA NA +PJ071923 TTQEEHR C35H57N13O15 899.4097 NA PeJP NA NA +PJ071924 SDKEEHR C35H57N13O15 899.4098 NA PeJP NA NA +PJ071925 PVVEMYY C43H61N7O12S 899.4099 NA PeJP NA NA +PJ071926 TKKMMMM C36H69N9O9S4 899.4101 NA PeJP NA NA +PJ071927 GSMMRRY C36H61N13O10S2 899.4106 NA PeJP NA NA +PJ071928 GQEHHHR C36H53N17O11 899.4111 NA PeJP NA NA +PJ071929 LQMHWW C44H57N11O8S 899.4113 NA PeJP NA NA +PJ071930 TLLEMMY C40H65N7O12S2 899.4133 NA PeJP NA NA +PJ071931 SSTTRYW C40H57N11O13 899.4138 NA PeJP NA NA +PJ071932 SCNQHRR C33H57N17O11S 899.4145 NA PeJP NA NA +PJ071933 APKMMHW C41H61N11O8S2 899.4146 NA PeJP NA NA +PJ071934 GVQHHHW C41H53N15O9 899.4151 NA PeJP NA NA +PJ071935 SSKEMRY C37H61N11O13S 899.4171 NA PeJP NA NA +PJ071936 GPPVDEMR C37H61N11O13S 899.4172 NA PeJP NA NA +MJ097230 Lyciumin; Lyciumin D C45H57N9O11 899.417753 NA MeJP NA NA +PJ071937 SPPVEWW C45H57N9O11 899.4178 NA PeJP NA NA +PJ071938 GKMMMFR C38H65N11O8S3 899.418 NA PeJP NA NA +PJ071939 DMHRRW C38H57N15O9S 899.4185 NA PeJP NA NA +7852 NA YGGFMRGL 899.4194 ACE inhibitor Inhouse_peptide NA peptide +PJ071940 SSEEHRR C34H57N15O14 899.421 NA PeJP NA NA +PJ071941 ATTKMYW C42H61N9O11S 899.4211 NA PeJP NA NA +PJ071942 PPLQEMW C42H61N9O11S 899.4212 NA PeJP NA NA +PJ071943 PTCMHRR C35H61N15O9S2 899.4219 NA PeJP NA NA +PJ071944 CLHRWW C43H57N13O7S 899.4225 NA PeJP NA NA +PJ071945 SSSSLKEY C38H61N9O16 899.4236 NA PeJP NA NA +PJ071946 GTTTTKEY C38H61N9O16 899.4237 NA PeJP NA NA +PJ071947 AKKEMMY C39H65N9O11S2 899.4245 NA PeJP NA NA +PJ071948 ATTEHRW C39H57N13O12 899.425 NA PeJP NA NA +PJ071949 PPVMFFY C47H61N7O9S 899.4252 NA PeJP NA NA +PJ071950 QHHHRW C40H53N17O8 899.4263 NA PeJP NA NA +PJ071951 GAHHHRW C40H53N17O8 899.4264 NA PeJP NA NA +PJ071952 ALLEEYY C43H61N7O14 899.4277 NA PeJP NA NA +PJ071953 SSTMRRY C36H61N13O12S 899.4284 NA PeJP NA NA +PJ071954 PVLMMFY C44H65N7O9S2 899.4286 NA PeJP NA NA +PJ071955 GTTLHWW C44H57N11O10 899.429 NA PeJP NA NA +PJ071956 VLLMMMY C41H69N7O9S3 899.4319 NA PeJP NA NA +PJ071957 GSSSNHRR C33H57N17O13 899.4322 NA PeJP NA NA +PJ071958 PPVDMRW C41H61N11O10S 899.4324 NA PeJP NA NA +PJ071959 AKFYWW C49H57N9O8 899.433 NA PeJP NA NA +PJ071960 GVHFFFF C49H57N9O8 899.4331 NA PeJP NA NA +PJ071961 SSSSTLRY C37H61N11O15 899.4349 NA PeJP NA NA +PJ071962 ATKMMRY C38H65N11O10S2 899.4358 NA PeJP NA NA +PJ071963 GPNDRRW C38H57N15O11 899.4362 NA PeJP NA NA +PJ071964 GGGPDRRW C38H57N15O11 899.4363 NA PeJP NA NA +PJ071965 APPLMWW C46H61N9O8S 899.4364 NA PeJP NA NA +3415 ACE inhibitor PANIKWGD 899.4368 ACE inhibitor Inhouse_peptide NA peptide +PJ071966 TTTTKYW C42H61N9O13 899.4389 NA PeJP NA NA +PJ071967 ATEMHRR C35H61N15O11S 899.4396 NA PeJP NA NA +PJ071968 PCKKMFF C43H65N9O8S2 899.4398 NA PeJP NA NA +PJ071969 PQQRWW C43H57N13O9 899.4403 NA PeJP NA NA +PJ071970 TTKKEMY C39H65N9O13S 899.4423 NA PeJP NA NA +PJ071971 PPVVYYY C47H61N7O11 899.4429 NA PeJP NA NA +PJ071972 CLKKMMF C40H69N9O8S3 899.4432 NA PeJP NA NA +PJ071973 GTLMHRW C40H61N13O9S 899.4436 NA PeJP NA NA +PJ071974 PKHFWW C48H57N11O7 899.4443 NA PeJP NA NA +PJ071975 PVDEERR C36H61N13O14 899.4461 NA PeJP NA NA +PJ071976 GGGGAPVTER C36H61N13O14 899.4462 NA PeJP NA NA +PJ071977 PTLLMYY C44H65N7O11S 899.4463 NA PeJP NA NA +PJ071978 PTKMMHR C37H65N13O9S2 899.447 NA PeJP NA NA +PJ071979 GNNHFRR C37H57N17O10 899.4475 NA PeJP NA NA +PJ071980 LKMHWW C45H61N11O7S 899.4477 NA PeJP NA NA +PJ071981 STLKEHW C41H61N11O12 899.4501 NA PeJP NA NA +PJ071982 APLEERW C41H61N11O12 899.4502 NA PeJP NA NA +PJ071983 SCNKHRR C34H61N17O10S 899.4508 NA PeJP NA NA +PJ071984 GGSCKHRR C34H61N17O10S 899.4509 NA PeJP NA NA +PJ071985 APPHHRW C42H57N15O8 899.4515 NA PeJP NA NA +PJ071986 TTTKMRY C38H65N11O12S 899.4535 NA PeJP NA NA +PJ071987 GGGGGAAPLLM C38H65N11O12S 899.4536 NA PeJP NA NA +PJ071988 GPLLEWW C46H61N9O10 899.4542 NA PeJP NA NA +PJ071989 CFRRRY C39H61N15O8S 899.4549 NA PeJP NA NA +PJ071990 VNQQQQR C35H61N15O13 899.4573 NA PeJP NA NA +PJ071991 TTTEHRR C35H61N15O13 899.4574 NA PeJP NA NA +PJ071992 APKKMYY C43H65N9O10S 899.4575 NA PeJP NA NA +PJ071993 PPLKEMW C43H65N9O10S 899.4576 NA PeJP NA NA +PJ071994 GLMMHRR C36H65N15O8S2 899.4582 NA PeJP NA NA +PJ071995 GTHHHRR C36H57N19O9 899.4587 NA PeJP NA NA +PJ071996 SSTTTLKY C39H65N9O15 899.46 NA PeJP NA NA +PJ071997 GPVLKEEE C39H65N9O15 899.4601 NA PeJP NA NA +PJ071998 SLKKMMY C40H69N9O10S2 899.4609 NA PeJP NA NA +PJ071999 STTLHRW C40H61N13O11 899.4614 NA PeJP NA NA +PJ072000 PVLMFFF C48H65N7O8S 899.4616 NA PeJP NA NA +PJ072001 KHHHRW C41H57N17O7 899.4627 NA PeJP NA NA +PJ072002 SLLLEYY C44H65N7O13 899.4641 NA PeJP NA NA +PJ072003 SLKEMHR C37H65N13O11S 899.4648 NA PeJP NA NA +PJ072004 VLLMMFF C45H69N7O8S2 899.4649 NA PeJP NA NA +PJ072005 GPVQKWW C45H61N11O9 899.4654 NA PeJP NA NA +PJ072006 SPNDRRR C34H61N17O12 899.4686 NA PeJP NA NA +PJ072007 PPTLMRW C42H65N11O9S 899.4688 NA PeJP NA NA +PJ072008 PLLWWW C50H61N9O7 899.4694 NA PeJP NA NA +PJ072009 PLKEEER C38H65N11O14 899.4713 NA PeJP NA NA +PJ072010 CCKKKKY C39H69N11O9S2 899.4722 NA PeJP NA NA +PJ072011 GPTQRRW C39H61N15O10 899.4726 NA PeJP NA NA +PJ072012 PVLKEEW C43H65N9O12 899.4753 NA PeJP NA NA +PJ072013 STLMHRR C36H65N15O10S 899.476 NA PeJP NA NA +PJ072014 PQKRWW C44H61N13O8 899.4766 NA PeJP NA NA +PJ072015 GAPKRWW C44H61N13O8 899.4767 NA PeJP NA NA +PJ072016 SPPVLKEM C40H69N9O12S 899.4787 NA PeJP NA NA +PJ072017 PVVLFYY C48H65N7O10 899.4793 NA PeJP NA NA +PJ072018 GNNQRRR C33H61N19O11 899.4798 NA PeJP NA NA +PJ072019 GGGGGQRRR C33H61N19O11 899.4799 NA PeJP NA NA +PJ072020 ACKKKHW C41H65N13O8S 899.48 NA PeJP NA NA +PJ072021 PTLEERR C37H65N13O13 899.4825 NA PeJP NA NA +PJ072022 GGGGGGGGALLK C37H65N13O13 899.4826 NA PeJP NA NA +PJ072023 VVLLMYY C45H69N7O10S 899.4827 NA PeJP NA NA +PJ072024 PPLMMRR C38H69N13O8S2 899.4834 NA PeJP NA NA +PJ072025 EHFRRR C38H61N17O9 899.4839 NA PeJP NA NA +PJ072026 SPLLERW C42H65N11O11 899.4865 NA PeJP NA NA +PJ072027 GGPVKKEW C42H65N11O11 899.4866 NA PeJP NA NA +PJ072028 GPQMRRR C35H65N17O9S 899.4872 NA PeJP NA NA +MJ097231 5-Spirosolene-3,23,27-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranoysl-(1?4)]-?-D-glucopyranoside] C45H73NO17 899.487849 NA MeJP NA NA +MJ097232 5-Spirosolene-3,23-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-galactopyranoside] C45H73NO17 899.487849 NA MeJP NA NA +MJ097233 Alkaloid SN-c; 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H73NO17 899.487849 NA MeJP NA NA +MJ097234 Leptinidine; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C45H73NO17 899.487849 NA MeJP NA NA +MJ097235 Spirosol-5-ene-3,12-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C45H73NO17 899.487849 NA MeJP NA NA +PJ072029 VHFRRW C43H61N15O7 899.4879 NA PeJP NA NA +PJ072030 AAPLLEMR C39H69N11O11S 899.4899 NA PeJP NA NA +PJ072031 SPVLLWW C47H65N9O9 899.4906 NA PeJP NA NA +PJ072032 SPQKERR C36H65N15O12 899.4937 NA PeJP NA NA +PJ072033 PTNKERR C36H65N15O12 899.4938 NA PeJP NA NA +PJ072034 PLLLQMW C44H69N9O9S 899.4939 NA PeJP NA NA +PJ072035 APTLLKEE C40H69N9O14 899.4964 NA PeJP NA NA +PJ072036 GGGLLLLEE C40H69N9O14 899.4965 NA PeJP NA NA +PJ072037 APPLLKMM C41H73N9O9S2 899.4973 NA PeJP NA NA +PJ072038 GPKKERW C41H65N13O10 899.4978 NA PeJP NA NA +PJ072039 GPCRRRR C34H65N19O8S 899.4985 NA PeJP NA NA +PJ072040 PLQQKMR C38H69N13O10S 899.5011 NA PeJP NA NA +PJ072041 PVLEMRR C38H69N13O10S 899.5012 NA PeJP NA NA +PJ072042 GPVKKWW C46H65N11O8 899.5018 NA PeJP NA NA +PJ072043 GVQERRR C35H65N17O11 899.505 NA PeJP NA NA +PJ072044 PVVLMRW C43H69N11O8S 899.5052 NA PeJP NA NA +PJ072045 LLLQEER C39H69N11O13 899.5077 NA PeJP NA NA +PJ072046 LLKKMMH C40H73N11O8S2 899.5085 NA PeJP NA NA +PJ072047 GPTKRRW C40H65N15O9 899.509 NA PeJP NA NA +PJ072048 VLLLQEW C44H69N9O11 899.5117 NA PeJP NA NA +PJ072049 PVNKMRR C37H69N15O9S 899.5124 NA PeJP NA NA +PJ072050 PKKRWW C45H65N13O7 899.513 NA PeJP NA NA +PJ072051 GPLLLKEM C41H73N9O11S 899.5151 NA PeJP NA NA +PJ072052 VVLLFFY C49H69N7O9 899.5157 NA PeJP NA NA +PJ072053 QERRRR C34H65N19O10 899.5162 NA PeJP NA NA +PJ072054 VVLEERR C38H69N13O12 899.5189 NA PeJP NA NA +PJ072055 VQRRRW C39H65N17O8 899.5202 NA PeJP NA NA +PJ072056 GGLRRRW C39H65N17O8 899.5203 NA PeJP NA NA +PJ072057 ALLLERW C43H69N11O10 899.5229 NA PeJP NA NA +PJ072058 GPKMRRR C36H69N17O8S 899.5236 NA PeJP NA NA +MetaCyc04276 macrocin [] C46H77N1O16 899.524235 11049-15-3 metacyc NA NA +PJ072059 GPTLLLMR C40H73N11O10S 899.5263 NA PeJP NA NA +PJ072060 AVLLLWW C48H69N9O8 899.5269 NA PeJP NA NA +PJ072061 GLLLLWW C48H69N9O8 899.527 NA PeJP NA NA +PJ072062 SPKKERR C37H69N15O11 899.5301 NA PeJP NA NA +PJ072063 GAALKERR C37H69N15O11 899.5302 NA PeJP NA NA +PJ072064 PLLLKMW C45H73N9O8S 899.5303 NA PeJP NA NA +PJ072065 ARRRRW C38H65N19O7 899.5315 NA PeJP NA NA +PJ072066 GVLLLKEE C41H73N9O13 899.5328 NA PeJP NA NA +PJ072067 SPVKKRW C42H69N13O9 899.5342 NA PeJP NA NA +PJ072068 PLQKKMR C39H73N13O9S 899.5375 NA PeJP NA NA +MJ097236 Rapamycin; 32-O-De-Me C50H77NO13 899.539491 NA MeJP NA NA +MJ097237 Rapamycin; 7-O-De-Me C50H77NO13 899.539491 NA MeJP NA NA +PJ072069 GVKERRR C36H69N17O10 899.5414 NA PeJP NA NA +PJ072070 SSPLLQKK C40H73N11O12 899.544 NA PeJP NA NA +PJ072071 LLLKEER C40H73N11O12 899.5441 NA PeJP NA NA +PJ072072 AALKRRW C41H69N15O8 899.5454 NA PeJP NA NA +PJ072073 VLLLKEW C45H73N9O10 899.5481 NA PeJP NA NA +PJ072074 PCLKKRR C38H73N15O8S 899.5488 NA PeJP NA NA +PJ072075 SPVLLLKM C42H77N9O10S 899.5515 NA PeJP NA NA +PJ072076 KERRRR C35H69N19O9 899.5526 NA PeJP NA NA +PJ072077 TLLLERR C39H73N13O11 899.5553 NA PeJP NA NA +PJ072078 VKRRRW C40H69N17O7 899.5566 NA PeJP NA NA +PJ072079 SLLLLRW C44H73N11O9 899.5593 NA PeJP NA NA +PJ072080 AALLLLMR C41H77N11O9S 899.5627 NA PeJP NA NA +PJ072081 TRRRRR C34H69N21O8 899.5638 NA PeJP NA NA +PJ072082 ALKKERR C38H73N15O10 899.5665 NA PeJP NA NA +PJ072083 ATLLLLKE C42H77N9O12 899.5692 NA PeJP NA NA +PJ072084 AVLKKRW C43H73N13O8 899.5705 NA PeJP NA NA +PJ072085 GLLKKRW C43H73N13O8 899.5706 NA PeJP NA NA +PJ072086 VLLLMRR C40H77N13O8S 899.5739 NA PeJP NA NA +MJ097238 Rapamycin; 15-Deoxo C51H81NO12 899.575877 NA MeJP NA NA +PJ072087 ATLKRRR C37H73N17O9 899.5778 NA PeJP NA NA +PJ072088 ATTLLLLR C41H77N11O11 899.5804 NA PeJP NA NA +PJ072089 GVVLKKKE C41H77N11O11 899.5805 NA PeJP NA NA +PJ072090 GPLLLLKF C46H77N9O9 899.5845 NA PeJP NA NA +PJ072091 GLLLLLKM C43H81N9O9S 899.5878 NA PeJP NA NA +PJ072092 VLKKKER C40H77N13O10 899.5917 NA PeJP NA NA +PJ072093 VVLKKKW C45H77N11O8 899.5957 NA PeJP NA NA +PJ072094 SLLKKRR C39H77N15O9 899.6029 NA PeJP NA NA +PJ072095 STLLLLLK C43H81N9O11 899.6056 NA PeJP NA NA +PJ072096 GKKKKRR C38H77N17O8 899.6141 NA PeJP NA NA +PJ072097 GTLLLKKK C42H81N11O10 899.6168 NA PeJP NA NA +PJ072098 LQKKKKK C41H81N13O9 899.6281 NA PeJP NA NA +PJ072099 LKKKKKK C42H85N13O8 899.6644 NA PeJP NA NA +HMDB08290 PC(20:0/24:1(15Z)) C52H102NO8P 899.734314 NA HMDB2010 NA NA +HMDB08322 PC(20:1(11Z)/24:0) C52H102NO8P 899.734314 NA HMDB2010 NA NA +HMDB08546 PC(22:0/22:1(13Z)) C52H102NO8P 899.734314 NA HMDB2010 NA NA +HMDB08577 PC(22:1(13Z)/22:0) C52H102NO8P 899.734314 NA HMDB2010 NA NA +HMDB08768 PC(24:0/20:1(11Z)) C52H102NO8P 899.734314 NA HMDB2010 NA NA +HMDB08800 PC(24:1(15Z)/20:0) C52H102NO8P 899.734314 NA HMDB2010 NA NA +MetaCyc04277 N-methylanthraniloyl-CoA [] C29H43N8O17P3S1 900.167972 NA metacyc NA NA +C12092 N-Methylanthraniloyl-CoA C29H43N8O17P3S 900.168 NA KEGG NA NA +PJ072100 CCCCCDDH C29H44N10O13S5 900.1693 NA PeJP NA NA +PJ072101 TCCCCCCY C31H48N8O11S6 900.1767 NA PeJP NA NA +MJ097239 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(4-O-acetyl-6-O-malonyl-?-D-glucopyranoside) C41H41O23(+) 900.196037 NA MeJP NA NA +PJ072102 CCCNNDDD C29H44N10O17S3 900.2048 NA PeJP NA NA +PJ072103 GGCCCNDDD C29H44N10O17S3 900.2049 NA PeJP NA NA +PJ072104 SCCCCDMH C30H48N10O12S5 900.2057 NA PeJP NA NA +PJ072105 GCCCCCFY C35H48N8O10S5 900.2097 NA PeJP NA NA +PJ072106 SCCDDDDE C30H44N8O20S2 900.2114 NA PeJP NA NA +PJ072107 PCCCDDDM C31H48N8O15S4 900.2122 NA PeJP NA NA +PJ072108 GSPCCCCND C30H48N10O14S4 900.2235 NA PeJP NA NA +PJ072109 ACCCCMMH C31H52N10O9S6 900.2243 NA PeJP NA NA +PJ072110 GSCCCCYY C35H48N8O12S4 900.2275 NA PeJP NA NA +PJ072111 GCDDDDMM C31H48N8O17S3 900.23 NA PeJP NA NA +PJ072112 CCCCNNNQ C29H48N12O13S4 900.2347 NA PeJP NA NA +PJ072113 GCCCCEHF C34H48N10O11S4 900.2387 NA PeJP NA NA +PJ072114 SCCNNDDM C30H48N10O16S3 900.2412 NA PeJP NA NA +PJ072115 SSCCCMMH C31H52N10O11S5 900.2421 NA PeJP NA NA +PJ072116 GCDDDDDF C34H44N8O19S 900.2444 NA PeJP NA NA +PJ072117 CCDDEMW C35H48N8O14S3 900.2453 NA PeJP NA NA +PJ072118 STCCDDEE C31H48N8O19S2 900.2477 NA PeJP NA NA +PJ072119 SSCDDDEM C31H48N8O19S2 900.2478 NA PeJP NA NA +PJ072120 SPCCDDMM C32H52N8O14S4 900.2486 NA PeJP NA NA +PJ072121 GCCDDDHH C32H44N12O15S2 900.2491 NA PeJP NA NA +PJ072122 GSSCCCNNN C29H48N12O15S3 900.2525 NA PeJP NA NA +PJ072123 PCCCCCNR C30H52N12O10S5 900.2533 NA PeJP NA NA +PJ072124 CCCCHFW C38H48N10O8S4 900.254 NA PeJP NA NA +PJ072125 GSCCCNEW C34H48N10O13S3 900.2565 NA PeJP NA NA +PJ072126 GSSSCCNDE C30H48N10O18S2 900.259 NA PeJP NA NA +PJ072127 GCCNNEMM C31H52N10O13S4 900.2599 NA PeJP NA NA +PJ072128 GSDDDDDY C34H44N8O21 900.2621 NA PeJP NA NA +PJ072129 GPCCDDEY C35H48N8O16S2 900.263 NA PeJP NA NA +PJ072130 PPCCCCEF C36H52N8O11S4 900.2639 NA PeJP NA NA +PJ072131 GSDDDMMM C32H52N8O16S3 900.2664 NA PeJP NA NA +PJ072132 GPCCEMMM C33H56N8O11S5 900.2673 NA PeJP NA NA +PJ072133 SPCCCDHH C33H48N12O12S3 900.2677 NA PeJP NA NA +PJ072134 GCCCNDMR C30H52N12O12S4 900.2711 NA PeJP NA NA +PJ072135 SCCCNWW C38H48N10O10S3 900.2717 NA PeJP NA NA +PJ072136 SSSCCNDW C34H48N10O15S2 900.2742 NA PeJP NA NA +PJ072137 GGGCCNDEF C34H48N10O15S2 900.2743 NA PeJP NA NA +PJ072138 CCNNMMW C35H52N10O10S4 900.2751 NA PeJP NA NA +PJ072139 SSSSSCNDD C30H48N10O20S 900.2767 NA PeJP NA NA +PJ072140 SSCNNDMM C31H52N10O15S3 900.2776 NA PeJP NA NA +PJ072141 PCCDDYW C39H48N8O13S2 900.2783 NA PeJP NA NA +PJ072142 PCCCCNKM C32H56N10O10S5 900.2785 NA PeJP NA NA +PJ072143 GCCCNQHH C32H48N14O11S3 900.279 NA PeJP NA NA +PJ072144 NDDDEMY C35H48N8O18S 900.2808 NA PeJP NA NA +PJ072145 SCDEMMW C36H52N8O13S3 900.2816 NA PeJP NA NA +PJ072146 PCCMMMW C37H56N8O8S5 900.2825 NA PeJP NA NA +PJ072147 SSSDDEMM C32H52N8O18S2 900.2841 NA PeJP NA NA +PJ072148 GNNDDDDH C32H44N12O19 900.2846 NA PeJP NA NA +PJ072149 NDEMMMM C33H56N8O13S4 900.285 NA PeJP NA NA +PJ072150 GCCNNNNY C33H48N12O14S2 900.2855 NA PeJP NA NA +PJ072151 CCCCQRW C34H52N12O9S4 900.2863 NA PeJP NA NA +PJ072152 GACCCCRW C34H52N12O9S4 900.2864 NA PeJP NA NA +PJ072153 SSCCCNER C30H52N12O14S3 900.2888 NA PeJP NA NA +PJ072154 GGSSCCCER C30H52N12O14S3 900.2889 NA PeJP NA NA +PJ072155 CCNNDFW C38H48N10O12S2 900.2895 NA PeJP NA NA +PJ072156 CDDDDRY C34H48N10O17S 900.292 NA PeJP NA NA +PJ072157 GSSCCQMW C35H52N10O12S3 900.2929 NA PeJP NA NA +PJ072158 GSSSSCNEM C31H52N10O17S2 900.2954 NA PeJP NA NA +PJ072159 GDDDMYW C39H48N8O15S 900.296 NA PeJP NA NA +PJ072160 CDDMMMR C32H56N10O12S4 900.2962 NA PeJP NA NA +PJ072161 GGGGGTCMMM C32H56N10O12S4 900.2963 NA PeJP NA NA +PJ072162 SSCCNNHH C32H48N14O13S2 900.2967 NA PeJP NA NA +PJ072163 PCCDMFW C40H52N8O10S3 900.2969 NA PeJP NA NA +PJ072164 GSSDDEEY C35H48N8O20 900.2985 NA PeJP NA NA +PJ072165 GSPCDEMY C36H52N8O15S2 900.2994 NA PeJP NA NA +PJ072166 GDMMMMW C37H56N8O10S4 900.3003 NA PeJP NA NA +PJ072167 SCCEHHW C37H48N12O11S2 900.3007 NA PeJP NA NA +PJ072168 GSSEEMMM C33H56N8O15S3 900.3028 NA PeJP NA NA +PJ072169 SSSCDEHH C33H48N12O16S 900.3032 NA PeJP NA NA +PJ072170 GGGGSPCDDH C33H48N12O16S 900.3033 NA PeJP NA NA +PJ072171 GPTCMMMM C34H60N8O10S5 900.3036 NA PeJP NA NA +PJ072172 GSSCCCRW C34H52N12O11S3 900.3041 NA PeJP NA NA +PJ072173 GSSSSCCDR C30H52N12O16S2 900.3066 NA PeJP NA NA +PJ072174 SCNNDYW C38H48N10O14S 900.3072 NA PeJP NA NA +PJ072175 GGSCNDYW C38H48N10O14S 900.3073 NA PeJP NA NA +PJ072176 GSCCNMMR C31H56N12O11S4 900.3075 NA PeJP NA NA +PJ072177 CCNMHFF C39H52N10O9S3 900.3081 NA PeJP NA NA +PJ072178 SSSNNDDY C34H48N10O19 900.3097 NA PeJP NA NA +PJ072179 GGSSSNDDY C34H48N10O19 900.3098 NA PeJP NA NA +PJ072180 SSSSCNMW C35H52N10O14S2 900.3106 NA PeJP NA NA +PJ072181 CDEYWW C43H48N8O12S 900.3113 NA PeJP NA NA +PJ072182 CCCQKMW C36H56N10O9S4 900.3115 NA PeJP NA NA +PJ072183 SSSSSSNDM C31H52N10O19S 900.3131 NA PeJP NA NA +PJ072184 SSDDEYW C39H48N8O17 900.3138 NA PeJP NA NA +PJ072185 SSSNNMMM C32H56N10O14S3 900.314 NA PeJP NA NA +PJ072186 GCNNNNEH C32H48N14O15S 900.3145 NA PeJP NA NA +PJ072187 SPCDMYW C40H52N8O12S2 900.3146 NA PeJP NA NA +PJ072188 GDDMMFW C40H52N8O12S2 900.3147 NA PeJP NA NA +PJ072189 CCDMHHR C33H52N14O10S3 900.3153 NA PeJP NA NA +PJ072190 GGGCCCKHH C33H52N14O10S3 900.3154 NA PeJP NA NA +PJ072191 SNEEEMY C36H52N8O17S 900.3171 NA PeJP NA NA +PJ072192 GGSEEEMY C36H52N8O17S 900.3172 NA PeJP NA NA +PJ072193 DDYYYY C44H48N6O15 900.3178 NA PeJP NA NA +PJ072194 SSEMMMW C37H56N8O12S3 900.318 NA PeJP NA NA +PJ072195 CNDEHHF C37H48N12O13S 900.3185 NA PeJP NA NA +PJ072196 GTCCCCRR C30H56N14O10S4 900.3187 NA PeJP NA NA +PJ072197 GCMMHHW C38H52N12O8S3 900.3194 NA PeJP NA NA +PJ072198 SSSTEEMM C33H56N8O17S2 900.3205 NA PeJP NA NA +PJ072199 DDDDEHR C33H48N12O18 900.321 NA PeJP NA NA +PJ072200 TQEMMMM C34H60N8O12S4 900.3214 NA PeJP NA NA +PJ072201 CCNNERY C34H52N12O13S2 900.3219 NA PeJP NA NA +PJ072202 MMMYYY C42H56N6O10S3 900.322 NA PeJP NA NA +PJ072203 CCCCKRW C35H56N12O8S4 900.3227 NA PeJP NA NA +PJ072204 CCQHHHH C35H48N16O9S2 900.3232 NA PeJP NA NA +PJ072205 GDEEEHW C38H48N10O16 900.325 NA PeJP NA NA +PJ072206 SSSCCQMR C31H56N12O13S3 900.3252 NA PeJP NA NA +PJ072207 GCNQMYW C39H52N10O11S2 900.3259 NA PeJP NA NA +PJ072208 GSSSSSTCW C35H52N10O16S 900.3284 NA PeJP NA NA +PJ072209 GDDDFFW C43H48N8O14 900.329 NA PeJP NA NA +PJ072210 ASTCCCKW C36H56N10O11S3 900.3292 NA PeJP NA NA +PJ072211 GSSCCKMW C36H56N10O11S3 900.3293 NA PeJP NA NA +PJ072212 CNNNNHW C36H48N14O12S 900.3297 NA PeJP NA NA +PJ072213 GGGGGGGGCHW C36H48N14O12S 900.3298 NA PeJP NA NA +PJ072214 CEMFWW C44H52N8O9S2 900.3299 NA PeJP NA NA +PJ072215 GSSSSSSSSE C31H52N10O21 900.3309 NA PeJP NA NA +PJ072216 GSSSSSQMM C32H56N10O16S2 900.3317 NA PeJP NA NA +PJ072217 GGGSSSSTMM C32H56N10O16S2 900.3318 NA PeJP NA NA +PJ072218 SSNNNNDH C32H48N14O17 900.3322 NA PeJP NA NA +PJ072219 GGGGGGGGSSDH C32H48N14O17 900.3323 NA PeJP NA NA +PJ072220 GSEEMYW C40H52N8O14S 900.3324 NA PeJP NA NA +PJ072221 SDMMMMR C33H60N10O11S4 900.3326 NA PeJP NA NA +PJ072222 GPCCNDHR C33H52N14O12S2 900.3331 NA PeJP NA NA +PJ072223 APCMMYW C41H56N8O9S3 900.3333 NA PeJP NA NA +PJ072224 GCDHHFW C41H48N12O10S 900.3338 NA PeJP NA NA +PJ072225 GSSTEEEY C36H52N8O19 900.3349 NA PeJP NA NA +PJ072226 AQEEMMY C37H56N8O14S2 900.3358 NA PeJP NA NA +PJ072227 SNNDEHW C37H48N12O15 900.3362 NA PeJP NA NA +PJ072228 GGSNDEHW C37H48N12O15 900.3363 NA PeJP NA NA +PJ072229 DMFYYY C45H52N6O12S 900.3364 NA PeJP NA NA +PJ072230 SSSCCCRR C30H56N14O12S3 900.3365 NA PeJP NA NA +PJ072231 ATMMMMW C38H60N8O9S4 900.3366 NA PeJP NA NA +PJ072232 GGPMMMMF C38H60N8O9S4 900.3367 NA PeJP NA NA +PJ072233 GCCNRYW C38H52N12O10S2 900.3371 NA PeJP NA NA +PJ072234 GTTTEMMM C34H60N8O14S3 900.3391 NA PeJP NA NA +PJ072235 GSSCNDRY C34H52N12O15S 900.3396 NA PeJP NA NA +PJ072236 GGGGGGGGPPCE C34H52N12O15S 900.3397 NA PeJP NA NA +PJ072237 VQMMMMM C35H64N8O9S5 900.34 NA PeJP NA NA +PJ072238 DEEHWW C42H48N10O13 900.3403 NA PeJP NA NA +PJ072239 CCNQMFR C35H56N12O10S3 900.3405 NA PeJP NA NA +PJ072240 GSSCHHHH C35H48N16O11S 900.341 NA PeJP NA NA +PJ072241 GSSSSSCMR C31H56N12O15S2 900.343 NA PeJP NA NA +PJ072242 SSNNMYW C39H52N10O13S 900.3436 NA PeJP NA NA +PJ072243 GGGGGAPCYY C39H52N10O13S 900.3437 NA PeJP NA NA +PJ072244 GTCCCKMR C32H60N12O10S4 900.3439 NA PeJP NA NA +PJ072245 PPCMMHW C40H56N10O8S3 900.3445 NA PeJP NA NA +PJ072246 SSSSSSSSW C35H52N10O18 900.3461 NA PeJP NA NA +PJ072247 GATEEEEH C35H52N10O18 900.3462 NA PeJP NA NA +PJ072248 SSSTCCKW C36H56N10O13S2 900.347 NA PeJP NA NA +PJ072249 GSPDDHHH C36H48N14O14 900.3475 NA PeJP NA NA +PJ072250 SEMYWW C44H52N8O11S 900.3477 NA PeJP NA NA +PJ072251 CCCKKMW C37H60N10O8S4 900.3479 NA PeJP NA NA +PJ072252 APPCCHHH C37H52N14O9S2 900.3484 NA PeJP NA NA +PJ072253 SSSSSSTQM C32H56N10O18S 900.3495 NA PeJP NA NA +PJ072254 SSTEEYW C40H52N8O16 900.3501 NA PeJP NA NA +PJ072255 TTTDDYW C40H52N8O16 900.3502 NA PeJP NA NA +PJ072256 SSSCQKMM C33H60N10O13S3 900.3504 NA PeJP NA NA +PJ072257 GSNNNQMH C33H52N14O14S 900.3508 NA PeJP NA NA +PJ072258 NNDDMHR C33H52N14O14S 900.3509 NA PeJP NA NA +PJ072259 AAEMMYW C41H56N8O11S2 900.351 NA PeJP NA NA +PJ072260 AMMMMMR C34H64N10O8S5 900.3513 NA PeJP NA NA +PJ072261 GSNDHWW C41H48N12O12 900.3515 NA PeJP NA NA +PJ072262 CCCNFRR C34H56N14O9S3 900.3517 NA PeJP NA NA +PJ072263 SDKEEMY C37H56N8O16S 900.3535 NA PeJP NA NA +PJ072264 TEYYYY C45H52N6O14 900.3542 NA PeJP NA NA +PJ072265 TTTMMMW C38H60N8O11S3 900.3544 NA PeJP NA NA +PJ072266 GNQEMHW C38H52N12O12S 900.3549 NA PeJP NA NA +PJ072267 MMFFYY C46H56N6O9S2 900.355 NA PeJP NA NA +PJ072268 STTTTEMM C34H60N8O16S2 900.3569 NA PeJP NA NA +PJ072269 SDEEEHR C34H52N12O17 900.3574 NA PeJP NA NA +PJ072270 TKEMMMM C35H64N8O11S4 900.3578 NA PeJP NA NA +PJ072271 SCNQMRY C35H56N12O12S2 900.3582 NA PeJP NA NA +PJ072272 GGGGTCMRY C35H56N12O12S2 900.3583 NA PeJP NA NA +PJ072273 NNNEHHH C35H48N16O13 900.3587 NA PeJP NA NA +PJ072274 GCNQFFW C43H52N10O10S 900.3589 NA PeJP NA NA +PJ072275 CCKHHHH C36H52N16O8S2 900.3596 NA PeJP NA NA +PJ072276 SSSSSSTCR C31H56N12O17S 900.3607 NA PeJP NA NA +PJ072277 GSSSSQYW C39H52N10O15 900.3614 NA PeJP NA NA +PJ072278 SSSCCKMR C32H60N12O12S3 900.3616 NA PeJP NA NA +PJ072279 GSCNNNHR C32H52N16O13S 900.3621 NA PeJP NA NA +PJ072280 DMMRYW C40H56N10O10S2 900.3623 NA PeJP NA NA +PJ072281 PCFYWW C48H52N8O8S 900.3629 NA PeJP NA NA +PJ072282 SSEEMRY C36H56N10O15S 900.3648 NA PeJP NA NA +PJ072283 GSPEYYW C44H52N8O13 900.3654 NA PeJP NA NA +PJ072284 PTCMMRY C37H60N10O10S3 900.3656 NA PeJP NA NA +PJ072285 GGGACKMMF C37H60N10O10S3 900.3657 NA PeJP NA NA +PJ072286 GCNEHRW C37H52N14O11S 900.3661 NA PeJP NA NA +PJ072287 CLMYWW C45H56N8O8S2 900.3663 NA PeJP NA NA +PJ072288 GSSSSSSTTT C32H56N10O20 900.3673 NA PeJP NA NA +PJ072289 GSSSSSKMM C33H60N10O15S2 900.3681 NA PeJP NA NA +PJ072290 GSSNDEHR C33H52N14O16 900.3686 NA PeJP NA NA +PJ072291 GGGGGGGGGGGGPT C33H52N14O16 900.3687 NA PeJP NA NA +PJ072292 ATTEMYW C41H56N8O13S 900.3688 NA PeJP NA NA +PJ072293 TTMMMMR C34H64N10O10S4 900.369 NA PeJP NA NA +PJ072294 DFFFYY C49H52N6O11 900.3694 NA PeJP NA NA +PJ072295 SCCNRRY C34H56N14O11S2 900.3695 NA PeJP NA NA +PJ072296 GVMMMFW C42H60N8O8S3 900.3697 NA PeJP NA NA +PJ072297 NQMHWW C42H52N12O9S 900.3701 NA PeJP NA NA +PJ072298 SSSSLEEY C37H56N8O18 900.3713 NA PeJP NA NA +PJ072299 AKEEMMY C38H60N8O13S2 900.3722 NA PeJP NA NA +PJ072300 SSQQEHW C38H52N12O14 900.3726 NA PeJP NA NA +PJ072301 GGGGGGPQEW C38H52N12O14 900.3727 NA PeJP NA NA +PJ072302 VMYYYY C46H56N6O11S 900.3728 NA PeJP NA NA +PJ072303 PCCQKHW C39H56N12O9S2 900.3735 NA PeJP NA NA +PJ072304 GNNHHHW C39H48N16O10 900.374 NA PeJP NA NA +PJ072305 SSTTLMMM C35H64N8O13S3 900.3755 NA PeJP NA NA +PJ072306 GSSSNMRY C35H56N12O14S 900.376 NA PeJP NA NA +PJ072307 VKMMMMM C36H68N8O8S5 900.3764 NA PeJP NA NA +PJ072308 NQQYYW C43H52N10O12 900.3766 NA PeJP NA NA +PJ072309 SPPNDWW C43H52N10O12 900.3767 NA PeJP NA NA +PJ072310 CCNKMFR C36H60N12O9S3 900.3769 NA PeJP NA NA +PJ072311 PCDHHHR C36H52N16O10S 900.3773 NA PeJP NA NA +MJ097240 Bussein A; 11-O-De-Ac, 11-O-(2-methylpropanoyl) C46H60O18 900.377965 NA MeJP NA NA +PJ072312 SSCQKYW C40H56N10O12S 900.38 NA PeJP NA NA +PJ072313 SPYYWW C48H52N8O10 900.3807 NA PeJP NA NA +PJ072314 MMMFRW C41H60N10O7S3 900.3809 NA PeJP NA NA +PJ072315 CNHRWW C41H52N14O8S 900.3814 NA PeJP NA NA +PJ072316 SSSSNKEY C36H56N10O17 900.3825 NA PeJP NA NA +PJ072317 GGGGGPLEEE C36H56N10O17 900.3826 NA PeJP NA NA +PJ072318 ATEMMRY C37H60N10O12S2 900.3834 NA PeJP NA NA +PJ072319 SSNDHRW C37H52N14O13 900.3839 NA PeJP NA NA +PJ072320 AAPMYYW C45H56N8O10S 900.384 NA PeJP NA NA +PJ072321 GVDMFFW C45H56N8O10S 900.3841 NA PeJP NA NA +PJ072322 ACMHHFR C38H56N14O8S2 900.3847 NA PeJP NA NA +PJ072323 SSSSSSTKM C33H60N10O17S 900.3859 NA PeJP NA NA +PJ072324 TTTTEYW C41H56N8O15 900.3865 NA PeJP NA NA +PJ072325 GGALEEYY C41H56N8O15 900.3866 NA PeJP NA NA +PJ072326 SSSCKKMM C34H64N10O12S3 900.3868 NA PeJP NA NA +PJ072327 SNQEMHR C34H56N14O13S 900.3872 NA PeJP NA NA +PJ072328 GGGGTEMHR C34H56N14O13S 900.3873 NA PeJP NA NA +PJ072329 GTLMMYW C42H60N8O10S2 900.3874 NA PeJP NA NA +PJ072330 GSTQHWW C42H52N12O11 900.3879 NA PeJP NA NA +PJ072331 MFFFFY C50H56N6O8S 900.3881 NA PeJP NA NA +PJ072332 TTKEEMY C38H60N8O15S 900.3899 NA PeJP NA NA +PJ072333 PTKMMMY C39H64N8O10S3 900.3908 NA PeJP NA NA +PJ072334 ATQQMHW C39H56N12O11S 900.3912 NA PeJP NA NA +PJ072335 PPCNERW C39H56N12O11S 900.3913 NA PeJP NA NA +PJ072336 PEHFWW C47H52N10O9 900.3919 NA PeJP NA NA +PJ072337 SSSSSQRY C35H56N12O16 900.3937 NA PeJP NA NA +PJ072338 GGSSSSTRY C35H56N12O16 900.3938 NA PeJP NA NA +PJ072339 SCNKMRY C36H60N12O11S2 900.3946 NA PeJP NA NA +PJ072340 GGGGAALMMH C36H60N12O11S2 900.3947 NA PeJP NA NA +PJ072341 GEEHHHR C36H52N16O12 900.3951 NA PeJP NA NA +PJ072342 LEMHWW C44H56N10O9S 900.3953 NA PeJP NA NA +PJ072343 GSSSSKYW C40H56N10O14 900.3978 NA PeJP NA NA +PJ072344 SCNEHRR C33H56N16O12S 900.3985 NA PeJP NA NA +PJ072345 ACCKKYW C41H60N10O9S2 900.3986 NA PeJP NA NA +PJ072346 SPLMMHW C41H60N10O9S2 900.3987 NA PeJP NA NA +PJ072347 GVEHHHW C41H52N14O10 900.3991 NA PeJP NA NA +PJ072348 CLFFWW C49H56N8O7S 900.3993 NA PeJP NA NA +PJ072349 TTTEMRY C37H60N10O14S 900.4011 NA PeJP NA NA +PJ072350 GGGSTTKMY C37H60N10O14S 900.4012 NA PeJP NA NA +MJ097241 Microsclerodermin F C45H56N8O12 900.401769 NA MeJP NA NA +PJ072351 LQEYYW C45H56N8O12 900.4018 NA PeJP NA NA +PJ072352 GLMMMRY C38H64N10O9S3 900.402 NA PeJP NA NA +PJ072353 GSQMHRW C38H56N14O10S 900.4025 NA PeJP NA NA +PJ072354 QHHFFW C46H52N12O8 900.4031 NA PeJP NA NA +PJ072355 GAHHFFW C46H52N12O8 900.4032 NA PeJP NA NA +PJ072356 PNDDERR C34H56N14O15 900.405 NA PeJP NA NA +PJ072357 STTLMYW C42H60N8O12S 900.4052 NA PeJP NA NA +PJ072358 VFFYYY C50H56N6O10 900.4058 NA PeJP NA NA +PJ072359 AQQMMHR C35H60N14O10S2 900.4059 NA PeJP NA NA +PJ072360 SNNHHHR C35H52N18O11 900.4063 NA PeJP NA NA +PJ072361 GGGGSHHHR C35H52N18O11 900.4064 NA PeJP NA NA +PJ072362 GPPCRWW C43H56N12O8S 900.4065 NA PeJP NA NA +PJ072363 SSTTTLEY C38H60N8O17 900.4077 NA PeJP NA NA +PJ072364 SLKEMMY C39H64N8O12S2 900.4085 NA PeJP NA NA +PJ072365 PPPVTEMM C39H64N8O12S2 900.4086 NA PeJP NA NA +PJ072366 GPQEERW C39H56N12O13 900.409 NA PeJP NA NA +PJ072367 GGGGGGGAAPPF C39H56N12O13 900.4091 NA PeJP NA NA +PJ072368 PCCKKHW C40H60N12O8S2 900.4099 NA PeJP NA NA +PJ072369 EHHHRW C40H52N16O9 900.4104 NA PeJP NA NA +PJ072370 GSSTCKRY C36H60N12O13S 900.4124 NA PeJP NA NA +PJ072371 GPVQEWW C44H56N10O11 900.413 NA PeJP NA NA +PJ072372 GGGPLEWW C44H56N10O11 900.4131 NA PeJP NA NA +PJ072373 PVMMMHR C37H64N12O8S3 900.4133 NA PeJP NA NA +PJ072374 GSCHRRW C37H56N16O9S 900.4137 NA PeJP NA NA +MJ097242 Papulacandin B C47H64O17 900.41435 NA MeJP NA NA +MJ097243 Papulacandin C C47H64O17 900.41435 NA MeJP NA NA +PJ072375 VHHHWW C45H52N14O7 900.4144 NA PeJP NA NA +PJ072376 GSSSDHRR C33H56N16O14 900.4162 NA PeJP NA NA +PJ072377 GGGGGGGAQQR C33H56N16O14 900.4163 NA PeJP NA NA +PJ072378 SSCKKYW C41H60N10O11S 900.4164 NA PeJP NA NA +PJ072379 SLFYWW C49H56N8O9 900.417 NA PeJP NA NA +PJ072380 ALYYWW C49H56N8O9 900.4171 NA PeJP NA NA +PJ072381 SSSSDKKY C37H60N10O16 900.4189 NA PeJP NA NA +PJ072382 STLMMRY C38H64N10O11S2 900.4198 NA PeJP NA NA +PJ072383 SSTQHRW C38H56N14O12 900.4202 NA PeJP NA NA +PJ072384 GPDDRRW C38H56N14O12 900.4203 NA PeJP NA NA +PJ072385 AALMFYW C46H60N8O9S 900.4204 NA PeJP NA NA +PJ072386 FFFFFF C54H56N6O7 900.4211 NA PeJP NA NA +PJ072387 PVLEEEW C42H60N8O14 900.4229 NA PeJP NA NA +PJ072388 GSPPCERR C35H60N14O12S 900.4236 NA PeJP NA NA +PJ072389 GGGGGGGPVMR C35H60N14O12S 900.4237 NA PeJP NA NA +PJ072390 PCLKMFY C43H64N8O9S2 900.4238 NA PeJP NA NA +PJ072391 PQERWW C43H56N12O10 900.4243 NA PeJP NA NA +PJ072392 SSSTLLMY C39H64N8O14S 900.4263 NA PeJP NA NA +PJ072393 VVKMMMY C40H68N8O9S3 900.4272 NA PeJP NA NA +PJ072394 NNNNNRR C32H56N18O13 900.4275 NA PeJP NA NA +PJ072395 SPPQMRW C40H60N12O10S 900.4276 NA PeJP NA NA +PJ072396 GGPPTMRW C40H60N12O10S 900.4277 NA PeJP NA NA +PJ072397 PVQWWW C48H56N10O8 900.4283 NA PeJP NA NA +PJ072398 SSSSSKRY C36H60N12O15 900.4301 NA PeJP NA NA +PJ072399 PNKEEER C36H60N12O15 900.4302 NA PeJP NA NA +7446 coeliac toxic peptide FPQTQQPQQLFPQSQ 900.4305 MH2+ Inhouse_peptide NA peptide +PJ072400 TCCKKRY C37H64N12O10S2 900.431 NA PeJP NA NA +PJ072401 GNDHFRR C37H56N16O11 900.4315 NA PeJP NA NA +PJ072402 GPPKMWW C45H60N10O8S 900.4317 NA PeJP NA NA +PJ072403 PVNKEEW C41H60N10O13 900.4342 NA PeJP NA NA +PJ072404 SSQMHRR C34H60N16O11S 900.4348 NA PeJP NA NA +PJ072405 GGSTMHRR C34H60N16O11S 900.4349 NA PeJP NA NA +PJ072406 ALLMMHW C42H64N10O8S2 900.435 NA PeJP NA NA +MJ097244 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside] C44H68O19 900.435479 NA MeJP NA NA +MJ097245 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2-O-acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside] C44H68O19 900.435479 NA MeJP NA NA +MJ097246 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2-O-acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside] C44H68O19 900.435479 NA MeJP NA NA +PJ072407 QQHFRW C42H56N14O9 900.4355 NA PeJP NA NA +PJ072408 GSSTKKMY C38H64N10O13S 900.4375 NA PeJP NA NA +PJ072409 GPPDKKEM C38H64N10O13S 900.4376 NA PeJP NA NA +PJ072410 LKEYYW C46H60N8O11 900.4382 NA PeJP NA NA +PJ072411 SPPCRRW C39H60N14O9S 900.4389 NA PeJP NA NA +PJ072412 APRWWW C47H56N12O7 900.4395 NA PeJP NA NA +PJ072413 SPQEERR C35H60N14O14 900.4414 NA PeJP NA NA +PJ072414 SPLKMYY C43H64N8O11S 900.4415 NA PeJP NA NA +PJ072415 PVTKMYY C43H64N8O11S 900.4416 NA PeJP NA NA +PJ072416 AQKMMHR C36H64N14O9S2 900.4422 NA PeJP NA NA +PJ072417 PPNMMRR C36H64N14O9S2 900.4423 NA PeJP NA NA +PJ072418 TTTTTTLY C39H64N8O16 900.444 NA PeJP NA NA +PJ072419 APTLLEEE C39H64N8O16 900.4441 NA PeJP NA NA +PJ072420 APPLLEMM C40H68N8O11S2 900.4449 NA PeJP NA NA +2609 synthetic peptide inhibitors of (PEP) IYPVPEPS 900.445 NA Inhouse_peptide NA peptide +PJ072421 GPKEERW C40H60N12O12 900.4454 NA PeJP NA NA +PJ072422 SSCHRRR C33H60N18O10S 900.4461 NA PeJP NA NA +PJ072423 APHHHFR C41H56N16O8 900.4467 NA PeJP NA NA +PJ072424 GSPPKEMR C37H64N12O12S 900.4488 NA PeJP NA NA +PJ072425 GPVKEWW C45H60N10O10 900.4494 NA PeJP NA NA +PJ072426 ALMHHHR C38H60N16O8S 900.4501 NA PeJP NA NA +MJ097247 24(23?22)-Abeo-16,23:18,20-diepoxycholesta-5,24-diene-3,18,23-triol, 18-Me ether, 3-O-[4-(4-Methoxybenzoyl)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C48H68O16 900.450736 NA MeJP NA NA +MJ097248 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Thevetopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C48H68O16 900.450736 NA MeJP NA NA +PJ072427 SPDDRRR C34H60N16O13 900.4526 NA PeJP NA NA +PJ072428 GGGGGGGGAAKR C34H60N16O13 900.4527 NA PeJP NA NA +PJ072429 TTLLMHW C42H64N10O10S 900.4528 NA PeJP NA NA +PJ072430 AALFFFW C50H60N8O8 900.4534 NA PeJP NA NA +PJ072431 GVVFFFW C50H60N8O8 900.4535 NA PeJP NA NA +PJ072432 SSSTTKKY C38H64N10O15 900.4553 NA PeJP NA NA +PJ072433 TCKKKMY C39H68N10O10S2 900.4562 NA PeJP NA NA +PJ072434 GPTERRW C39H60N14O11 900.4566 NA PeJP NA NA +PJ072435 GGGGSPKRW C39H60N14O11 900.4567 NA PeJP NA NA +PJ072436 PCLKFFF C47H64N8O8S 900.4568 NA PeJP NA NA +MJ097249 Antibiotic YM 47142 C43H64N8O13 900.459284 NA MeJP NA NA +PJ072437 SVLKEYY C43H64N8O13 900.4593 NA PeJP NA NA +PJ072438 PVNEMRR C36H64N14O11S 900.46 NA PeJP NA NA +PJ072439 VVKMMFF C44H68N8O8S2 900.4602 NA PeJP NA NA +PJ072440 PKERWW C44H60N12O9 900.4607 NA PeJP NA NA +PJ072441 GPLLLEEM C40H68N8O13S 900.4627 NA PeJP NA NA +PJ072442 GNNERRR C33H60N18O12 900.4639 NA PeJP NA NA +MJ097250 KSAYMRF amide C41H64N12O9S 900.463992 NA MeJP NA NA +PJ072443 SPPKMRW C41H64N12O9S 900.464 NA PeJP NA NA +PJ072444 PVKWWW C49H60N10O7 900.4647 NA PeJP NA NA +PJ072445 PDKKEER C37H64N12O14 900.4665 NA PeJP NA NA +PJ072446 GGGALLEER C37H64N12O14 900.4666 NA PeJP NA NA +PJ072447 TLLMMHR C38H68N12O9S2 900.4674 NA PeJP NA NA +MetaCyc04278 geranylgeranyl-chlorophyll b [] C55H64N4O6MG1 900.467628 NA metacyc NA NA +PJ072448 QQQRRW C38H60N16O10 900.4679 NA PeJP NA NA +PJ072449 PTLQKEW C42H64N10O12 900.4705 NA PeJP NA NA +PJ072450 PVDKKEW C42H64N10O12 900.4706 NA PeJP NA NA +PJ072451 SSKMHRR C35H64N16O10S 900.4712 NA PeJP NA NA +PJ072452 GPEMRRR C35H64N16O10S 900.4713 NA PeJP NA NA +MJ097251 28-Nor-12-oleanene-2,3,16,17,23-pentol, 16-Ketone, 3-O-[?-L-arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C45H72O18 900.471865 NA MeJP NA NA +MJ097252 28-Nor-12-oleanene-2,3,16,17,23-pentol, 16-Ketone, 3-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranosyl-(1?2)-?-L-arabinopyranoside] C45H72O18 900.471865 NA MeJP NA NA +MJ097253 3,23-Dihydroxyspirostan-26-one, 3-O-[?-L-Rhamnopyranosyl-(1?2)[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H72O18 900.471865 NA MeJP NA NA +MJ097254 3,26-Dihydroxycholest-5-ene-16,22-dione, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H72O18 900.471865 NA MeJP NA NA +MJ097255 Nuatigenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H72O18 900.471865 NA MeJP NA NA +MJ097256 Nuatigenin; 3-O-[?-L-Rhamnopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] C45H72O18 900.471865 NA MeJP NA NA +MJ097257 Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C45H72O18 900.471865 NA MeJP NA NA +MJ097258 Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] C45H72O18 900.471865 NA MeJP NA NA +MJ097259 Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] C45H72O18 900.471865 NA MeJP NA NA +MJ097260 Spirost-5-ene-1,3,24-triol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-fucopyranoside], 24-O-?-D-glucopyranoside C45H72O18 900.471865 NA MeJP NA NA +MJ097261 Spirost-5-ene-1,3-diol, 1-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-galactopyranoside] C45H72O18 900.471865 NA MeJP NA NA +MJ097262 Spirost-5-ene-1,3-diol, 1-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C45H72O18 900.471865 NA MeJP NA NA +MJ097263 Spirost-5-ene-3,17,26-triol, 26-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] C45H72O18 900.471865 NA MeJP NA NA +MJ097264 Spirost-5-ene-3,17,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H72O18 900.471865 NA MeJP NA NA +MJ097265 Spirost-5-ene-3,17-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?3)]-?-D-glucopyranoside] C45H72O18 900.471865 NA MeJP NA NA +MJ097266 Spirost-5-ene-3,24-diol, 3-O-Neohesperidoside C45H72O18 900.471865 NA MeJP NA NA +MJ097267 Spirost-5-ene-3,27-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C45H72O18 900.471865 NA MeJP NA NA +MJ097268 Spirost-5-ene-3,27-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C45H72O18 900.471865 NA MeJP NA NA +PJ072453 PTRRWW C43H60N14O8 900.4719 NA PeJP NA NA +PJ072454 SSTLLLMH C39H68N10O12S 900.4739 NA PeJP NA NA +PJ072455 PPLLEFW C47H64N8O10 900.4746 NA PeJP NA NA +PJ072456 GPVMRRW C40H64N14O8S 900.4753 NA PeJP NA NA +PJ072457 SPKEERR C36H64N14O13 900.4778 NA PeJP NA NA +PJ072458 ALLKMYY C44H68N8O10S 900.4779 NA PeJP NA NA +PJ072459 PLLLEMW C44H68N8O10S 900.478 NA PeJP NA NA +PJ072460 AKKMMHR C37H68N14O8S2 900.4786 NA PeJP NA NA +PJ072461 NNRRRW C37H60N18O9 900.4791 NA PeJP NA NA +PJ072462 SPTLLLEE C40H68N8O15 900.4804 NA PeJP NA NA +PJ072463 GVLLLEEE C40H68N8O15 900.4805 NA PeJP NA NA +PJ072464 SPPLLLMM C41H72N8O10S2 900.4813 NA PeJP NA NA +PJ072465 SPVKERW C41H64N12O11 900.4818 NA PeJP NA NA +PJ072466 PLQKEMR C38H68N12O11S 900.4852 NA PeJP NA NA +PJ072467 APTLKWW C46H64N10O9 900.4858 NA PeJP NA NA +PJ072468 PMRRRW C39H64N16O7S 900.4865 NA PeJP NA NA +MJ097269 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-Benzoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H72O15 900.487121 NA MeJP NA NA +PJ072469 GVEERRR C35H64N16O12 900.489 NA PeJP NA NA +PJ072470 PVLQKMW C43H68N10O9S 900.4892 NA PeJP NA NA +PJ072471 LLLEEER C39H68N10O14 900.4917 NA PeJP NA NA +PJ072472 GPPLKKMM C40H72N10O9S2 900.4926 NA PeJP NA NA +PJ072473 AALERRW C40H64N14O10 900.493 NA PeJP NA NA +PJ072474 VLLLEEW C44H68N8O12 900.4957 NA PeJP NA NA +PJ072475 PVDKMRR C37H68N14O10S 900.4964 NA PeJP NA NA +PJ072476 LLQRWW C45H64N12O8 900.497 NA PeJP NA NA +PJ072477 GALLRWW C45H64N12O8 900.4971 NA PeJP NA NA +PJ072478 SPVLLLEM C41H72N8O12S 900.4991 NA PeJP NA NA +PJ072479 EERRRR C34H64N18O11 900.5002 NA PeJP NA NA +PJ072480 GGGDKRRR C34H64N18O11 900.5003 NA PeJP NA NA +PJ072481 APLKMRW C42H68N12O8S 900.5004 NA PeJP NA NA +PJ072482 VLQKEER C38H68N12O13 900.5029 NA PeJP NA NA +PJ072483 VKKKMMH C39H72N12O8S2 900.5038 NA PeJP NA NA +PJ072484 VERRRW C39H64N16O9 900.5043 NA PeJP NA NA +PJ072485 PTLKKEW C43H68N10O11 900.5069 NA PeJP NA NA +PJ072486 GGVLLKEW C43H68N10O11 900.507 NA PeJP NA NA +PJ072487 SPVMRRR C36H68N16O9S 900.5076 NA PeJP NA NA +MJ097270 13,28-Epoxy-3,16,22-oleananetriol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-L-arabinopyranoside] C46H76O17 900.508251 NA MeJP NA NA +MJ097271 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside], 6-O-?-D-xylopyranoside C46H76O17 900.508251 NA MeJP NA NA +PJ072488 VVRRWW C44H64N14O7 900.5083 NA PeJP NA NA +PJ072489 GPVLKKEM C40H72N10O11S 900.5103 NA PeJP NA NA +PJ072490 PPLLLYW C48H68N8O9 900.511 NA PeJP NA NA +PJ072491 GSNRRRR C33H64N20O10 900.5115 NA PeJP NA NA +PJ072492 ASPTTLRR C37H68N14O12 900.5141 NA PeJP NA NA +PJ072493 ALKEERR C37H68N14O12 900.5142 NA PeJP NA NA +PJ072494 APPLLLMF C45H72N8O9S 900.5143 NA PeJP NA NA +PJ072495 APKHHRR C38H64N18O8 900.5155 NA PeJP NA NA +PJ072496 ATLLLLEE C41H72N8O14 900.5168 NA PeJP NA NA +MJ097272 Lycogaride C C57H72O9 900.517633 NA MeJP NA NA +PJ072497 APLLLLMM C42H76N8O9S2 900.5177 NA PeJP NA NA +PJ072498 GLLKERW C42H68N12O10 900.5182 NA PeJP NA NA +PJ072499 LLLQQMR C39H72N12O10S 900.5215 NA PeJP NA NA +PJ072500 PLKKEMR C39H72N12O10S 900.5216 NA PeJP NA NA +PJ072501 GVLLKWW C47H68N10O8 900.5222 NA PeJP NA NA +MJ097273 Avermectin A1c C50H76O14 900.523507 NA MeJP NA NA +MJ097274 Avermectin B1d C50H76O14 900.523507 NA MeJP NA NA +PJ072502 ATLERRR C36H68N16O11 900.5254 NA PeJP NA NA +PJ072503 PVLKKMW C44H72N10O8S 900.5256 NA PeJP NA NA +PJ072504 AALLKKEE C40H72N10O13 900.5281 NA PeJP NA NA +PJ072505 GTLLRRW C41H68N14O9 900.5294 NA PeJP NA NA +PJ072506 SPPVLLLY C45H72N8O11 900.5321 NA PeJP NA NA +PJ072507 PTLKMRR C38H72N14O9S 900.5328 NA PeJP NA NA +PJ072508 LLKRWW C46H68N12O7 900.5334 NA PeJP NA NA +PJ072509 GLLLLLEM C42H76N8O11S 900.5355 NA PeJP NA NA +PJ072510 GTQKRRR C35H68N18O10 900.5366 NA PeJP NA NA +PJ072511 VLKKEER C39H72N12O12 900.5393 NA PeJP NA NA +PJ072512 QKKRRW C40H68N16O8 900.5406 NA PeJP NA NA +PJ072513 GAKKRRW C40H68N16O8 900.5407 NA PeJP NA NA +PJ072514 VVLKKEW C44H72N10O10 900.5433 NA PeJP NA NA +PJ072515 GLLMRRR C37H72N16O8S 900.544 NA PeJP NA NA +MJ097275 1,3,9,15,21,27,33,39-Nonatriacontaneoctacarboxylic acid C47H80O16 900.544636 NA MeJP NA NA +MJ097276 3,16,22-Hopanetriol, 3-O-?-L-Arabinopyranoside, 22-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C47H80O16 900.544636 NA MeJP NA NA +MJ097277 Antibiotic BL 580; Antibiotic BL 580? C47H80O16 900.544636 NA MeJP NA NA +MJ097278 Antibiotic W 341C C47H80O16 900.544636 NA MeJP NA NA +MJ097279 Cytovaricin C47H80O16 900.544636 NA MeJP NA NA +PJ072516 APTLLKKM C41H76N10O10S 900.5467 NA PeJP NA NA +PJ072517 PLLLLFW C49H72N8O8 900.5474 NA PeJP NA NA +PJ072518 SLLKERR C38H72N14O11 900.5505 NA PeJP NA NA +PJ072519 GGVKKKER C38H72N14O11 900.5506 NA PeJP NA NA +PJ072520 LLLLLMW C46H76N8O8S 900.5507 NA PeJP NA NA +PJ072521 STLLLLLE C42H76N8O13 900.5532 NA PeJP NA NA +PJ072522 SVLLKRW C43H72N12O9 900.5546 NA PeJP NA NA +PJ072523 LLLQKMR C40H76N12O9S 900.5579 NA PeJP NA NA +PJ072524 STLLRRR C37H72N16O10 900.5618 NA PeJP NA NA +PJ072525 STLLLLNK C41H76N10O12 900.5644 NA PeJP NA NA +PJ072526 GTLLLKKE C41H76N10O12 900.5645 NA PeJP NA NA +PJ072527 GVKKKRW C42H72N14O8 900.5658 NA PeJP NA NA +PJ072528 GPLLLLLY C46H76N8O10 900.5685 NA PeJP NA NA +PJ072529 VVLKMRR C39H76N14O8S 900.5692 NA PeJP NA NA +PJ072530 SVLLLLLM C43H80N8O10S 900.5719 NA PeJP NA NA +PJ072531 GTKKRRR C36H72N18O9 900.573 NA PeJP NA NA +PJ072532 GTTLLLKR C40H76N12O11 900.5757 NA PeJP NA NA +MJ097280 Pheophytins C56H76N4O6 900.576486 NA MeJP NA NA +PJ072533 KKKRRW C41H72N16O7 900.577 NA PeJP NA NA +PJ072534 TLLLKKW C45H76N10O9 900.5797 NA PeJP NA NA +PJ072535 GVLLLKKM C42H80N10O9S 900.5831 NA PeJP NA NA +PJ072536 VDKKKKR C39H76N14O10 900.5869 NA PeJP NA NA +PJ072537 ALKKKKW C44H76N12O8 900.591 NA PeJP NA NA +PJ072538 LLLKKMR C41H80N12O8S 900.5943 NA PeJP NA NA +PJ072539 SVKKKRR C38H76N16O9 900.5982 NA PeJP NA NA +PJ072540 SSLLLLKK C42H80N10O11 900.6008 NA PeJP NA NA +PJ072541 GLLLLLLF C47H80N8O9 900.6049 NA PeJP NA NA +PJ072542 LKKKKKE C41H80N12O10 900.6121 NA PeJP NA NA +PJ072543 TLKKKKR C40H80N14O9 900.6233 NA PeJP NA NA +C13867 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(8-(2E,4Z-decadienoyloxy)- C57H88O8 900.6479 NA KEGG NA NA +C13868 Transferred to D02149 C57H88O8 900.6479 NA KEGG NA NA +MJ097281 1,2-Diphytanylglyceryl-3-phosphorylglycerol; 3''-(O-Methylphosphate) C47H98O11P2 900.658437 NA MeJP NA NA +MJ097282 34-Ethylhuratoxin; 5-Deoxy, 6,7-deepoxy, 6,7,26,27-tetradehydro, 20-docosanoyl C58H92O7 900.684305 NA MeJP NA NA +MJ097283 3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,34-hexatriacontatetraene-1,15,19,23,27,31-hexol; 10,11-Dihydro, 11-hydroxy, 1-O-?-glucopyranoside C51H96O12 900.690178 NA MeJP NA NA +HMDB05448 TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C59H96O6 900.7207 http://www.hmdb.ca/metabolites/HMDB05448 HMDB NA NA +HMDB05448 TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C59H96O6 900.7207 HMDB05448 PFEM_hmdb_metabocards_official NA NA +HMDB05448 TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C59H96O6 900.720703 NA HMDB2010 NA NA +HMDB10493 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3] C59H96O6 900.720703 NA HMDB2010 NA NA +HMDB10500 TG(18:3(9Z,12Z,15Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C59H96O6 900.720703 NA HMDB2010 NA NA +HMDB10504 TG(18:3(9Z,12Z,15Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C59H96O6 900.720703 NA HMDB2010 NA NA +HMDB10527 TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso6] C59H96O6 900.720703 NA HMDB2010 NA NA +MJ097284 1-Tetratriacontanol; Octacosanoyl C62H124O2 900.960133 NA MeJP NA NA +MJ097285 Dotriacontanoic acid; Triacontanyl ester C62H124O2 900.960133 NA MeJP NA NA +5444 tryptophan-modified murine lactoferricin (LFM W8) EKCLRWQWEMRKVGG 900.9622 MH2+ Inhouse_peptide NA peptide +HMDB03967 4-Hydroxyphenylacetyl-CoA C29H42N7O18P3S 901.151978 NA HMDB2010 NA NA +HMDB03967 4-Hydroxyphenylacetyl-CoA C29H42N7O18P3S 901.15198 http://www.hmdb.ca/metabolites/HMDB03967 HMDB NA NA +HMDB03967 4-Hydroxyphenylacetyl-CoA C29H42N7O18P3S 901.15198 HMDB03967 PFEM_hmdb_metabocards_official NA NA +MJ097286 4-Hydroxyphenylacetyl-CoA C29H42N7O18P3S 901.151987 NA MeJP NA NA +C02577 Phenoxyacetyl-CoA C29H42N7O18P3S 901.152 NA KEGG NA NA +C05338 4-Hydroxyphenylacetyl-CoA C29H42N7O18P3S 901.152 NA KEGG NA NA +PJ072544 CCCCCCQH C29H47N11O10S6 901.1832 NA PeJP NA NA +PJ072545 CCCNDDDD C29H43N9O18S3 901.1889 NA PeJP NA NA +PJ072546 GSSCCCCCH C29H47N11O12S5 901.201 NA PeJP NA NA +FL7AAGGL0030 Acetylmalonylawobanin;Delphinidin 3-O-[6-O-(p-coumaroyl)-beta-D-glucopyranoside]-5-O-[4-O-acetyl-6-O-malonyl-beta-D-glucopyranoside] C41H41O23 901.20386 250344-52-6 knapsack NA NA +PJ072547 GSPCCCCDD C30H47N9O15S4 901.2075 NA PeJP NA NA +PJ072548 APPCCCCCC C31H51N9O10S6 901.2084 NA PeJP NA NA +PJ072549 CCCCNNNE C29H47N11O14S4 901.2187 NA PeJP NA NA +PJ072550 CCCCCCKH C30H51N11O9S6 901.2196 NA PeJP NA NA +PJ072551 SCCNDDDM C30H47N9O17S3 901.2252 NA PeJP NA NA +PJ072552 GGSCCDDDM C30H47N9O17S3 901.2253 NA PeJP NA NA +PJ072553 PCCCCNEM C31H51N9O12S5 901.2261 NA PeJP NA NA +PJ072554 GCCCCNNW C33H47N11O11S4 901.234 NA PeJP NA NA +PJ072555 GSSCCCNND C29H47N11O16S3 901.2365 NA PeJP NA NA +PJ072556 PCCCCCDR C30H51N11O11S5 901.2374 NA PeJP NA NA +PJ072557 GSCCCDEW C34H47N9O14S3 901.2405 NA PeJP NA NA +PJ072558 GPCCCCMW C35H51N9O9S5 901.2414 NA PeJP NA NA +PJ072559 GSSSCCDDE C30H47N9O19S2 901.243 NA PeJP NA NA +PJ072560 GCCNDEMM C31H51N9O14S4 901.2439 NA PeJP NA NA +PJ072561 GCCCDDMR C30H51N11O13S4 901.2551 NA PeJP NA NA +PJ072562 SCCCDWW C38H47N9O11S3 901.2558 NA PeJP NA NA +PJ072563 SSSCCDDW C34H47N9O16S2 901.2583 NA PeJP NA NA +PJ072564 CCNDMMW C35H51N9O11S4 901.2591 NA PeJP NA NA +PJ072565 SSSSSCDDD C30H47N9O21S 901.2608 NA PeJP NA NA +PJ072566 SSCNDDMM C31H51N9O16S3 901.2616 NA PeJP NA NA +PJ072567 SPCCCQMM C32H55N9O11S5 901.2625 NA PeJP NA NA +PJ072568 GCCCNEHH C32H47N13O12S3 901.263 NA PeJP NA NA +PJ072569 DDDDEMY C35H47N7O19S 901.2648 NA PeJP NA NA +PJ072570 SCCCCNNR C29H51N13O12S4 901.2663 NA PeJP NA NA +PJ072571 GGGGSCCCCR C29H51N13O12S4 901.2664 NA PeJP NA NA +PJ072572 GNDDDDDH C32H43N11O20 901.2686 NA PeJP NA NA +PJ072573 DDEMMMM C33H55N7O14S4 901.269 NA PeJP NA NA +PJ072574 GCCNNNDY C33H47N11O15S2 901.2695 NA PeJP NA NA +PJ072575 CCCCERW C34H51N11O10S4 901.2704 NA PeJP NA NA +PJ072576 SSCCCDER C30H51N11O15S3 901.2729 NA PeJP NA NA +PJ072577 CCNDDFW C38H47N9O13S2 901.2735 NA PeJP NA NA +PJ072578 SPCCCCMR C31H55N11O10S5 901.2737 NA PeJP NA NA +MJ097287 Sarcinapterin C35H48N7O19P 901.274258 NA MeJP NA NA +MetaCyc04279 tetrahydrosarcinapterin [H4SPT;5,6,7,8-tetrahydrosarcinapterin;] C35H48N7O19P1 901.274259 NA metacyc NA NA +PJ072579 ACCCMWW C39H51N9O8S4 901.2744 NA PeJP NA NA +PJ072580 GSCNDDEY C34H47N9O18S 901.276 NA PeJP NA NA +PJ072581 GSSCCEMW C35H51N9O13S3 901.2769 NA PeJP NA NA +PJ072582 CCMMMHF C36H55N9O8S5 901.2778 NA PeJP NA NA +PJ072583 CCCNHHW C36H47N13O9S3 901.2782 NA PeJP NA NA +PJ072584 GSSSSCDEM C31H51N9O18S2 901.2794 NA PeJP NA NA +PJ072585 GSCNEMMM C32H55N9O13S4 901.2803 NA PeJP NA NA +PJ072586 SSCCNDHH C32H47N13O14S2 901.2807 NA PeJP NA NA +PJ072587 GCCMYYY C40H51N7O11S3 901.2809 NA PeJP NA NA +PJ072588 DDDEMMF C36H51N7O16S2 901.2834 NA PeJP NA NA +PJ072589 SPCNDDDH C33H47N11O17S 901.2873 NA PeJP NA NA +PJ072590 GCCNNNMF C34H51N11O12S3 901.2881 NA PeJP NA NA +PJ072591 SSSSSCCNQ C30H51N11O17S2 901.2906 NA PeJP NA NA +PJ072592 SCNDDYW C38H47N9O15S 901.2913 NA PeJP NA NA +PJ072593 GSCCDMMR C31H55N11O12S4 901.2915 NA PeJP NA NA +PJ072594 SSCCMWW C39H51N9O10S3 901.2921 NA PeJP NA NA +PJ072595 SSSNDDDY C34H47N9O20 901.2938 NA PeJP NA NA +PJ072596 SSSSCDMW C35H51N9O15S2 901.2946 NA PeJP NA NA +PJ072597 GGGGDDMMY C35H51N9O15S2 901.2947 NA PeJP NA NA +PJ072598 SCNMMMW C36H55N9O10S4 901.2955 NA PeJP NA NA +PJ072599 SSSSSSDDM C31H51N9O20S 901.2971 NA PeJP NA NA +PJ072600 PDDDDYY C39H47N7O18 901.2978 NA PeJP NA NA +PJ072601 SSSNDMMM C32H55N9O15S3 901.298 NA PeJP NA NA +PJ072602 GCNNNDEH C32H47N13O16S 901.2985 NA PeJP NA NA +PJ072603 STCCYYY C40H51N7O13S2 901.2986 NA PeJP NA NA +PJ072604 NNMMMMM C33H59N9O10S5 901.2989 NA PeJP NA NA +PJ072605 GSCCQMHH C33H51N13O11S3 901.2994 NA PeJP NA NA +PJ072606 SDEEEMY C36H51N7O18S 901.3012 NA PeJP NA NA +PJ072607 PDDMMMY C37H55N7O13S3 901.302 NA PeJP NA NA +PJ072608 CDDEHHF C37H47N11O14S 901.3025 NA PeJP NA NA +PJ072609 GPPCCCHW C38H51N11O9S3 901.3034 NA PeJP NA NA +PJ072610 GSNDDEEH C33H47N11O19 901.305 NA PeJP NA NA +PJ072611 TEEMMMM C34H59N7O13S4 901.3054 NA PeJP NA NA +PJ072612 CCNDERY C34H51N11O14S2 901.3059 NA PeJP NA NA +PJ072613 PMMMMMM C35H63N7O8S6 901.3063 NA PeJP NA NA +PJ072614 TCCCMRW C35H55N11O9S4 901.3067 NA PeJP NA NA +PJ072615 APCCCCFR C35H55N11O9S4 901.3068 NA PeJP NA NA +PJ072616 CCEHHHH C35H47N15O10S2 901.3072 NA PeJP NA NA +PJ072617 GSSSSSSSCN C30H51N11O19S 901.3084 NA PeJP NA NA +PJ072618 NNDDDFY C38H47N9O17 901.309 NA PeJP NA NA +PJ072619 SSSCCEMR C31H55N11O14S3 901.3092 NA PeJP NA NA +PJ072620 GGGSSTCCCK C31H55N11O14S3 901.3093 NA PeJP NA NA +PJ072621 GCNEMYW C39H51N9O12S2 901.3099 NA PeJP NA NA +PJ072622 CCQMMMR C32H59N11O9S5 901.3101 NA PeJP NA NA +PJ072623 GSCCCHHR C32H51N15O10S3 901.3106 NA PeJP NA NA +PJ072624 GSSNDEMY C35H51N9O17S 901.3124 NA PeJP NA NA +PJ072625 GSSTCMMW C36H55N9O12S3 901.3133 NA PeJP NA NA +PJ072626 CNNNDHW C36H47N13O13S 901.3137 NA PeJP NA NA +PJ072627 GGGGCNDHW C36H47N13O13S 901.3138 NA PeJP NA NA +PJ072628 GCCFFYY C44H51N7O10S2 901.3139 NA PeJP NA NA +PJ072629 GSSSSSEMM C32H55N9O17S2 901.3158 NA PeJP NA NA +PJ072630 SSNNNDDH C32H47N13O18 901.3162 NA PeJP NA NA +PJ072631 GGGGSSNDDH C32H47N13O18 901.3163 NA PeJP NA NA +PJ072632 PDDDMFY C40H51N7O15S 901.3164 NA PeJP NA NA +PJ072633 GSSQMMMM C33H59N9O12S4 901.3166 NA PeJP NA NA +PJ072634 GPCCDDHR C33H51N13O13S2 901.3171 NA PeJP NA NA +PJ072635 AEEEMMY C37H55N7O15S2 901.3198 NA PeJP NA NA +PJ072636 SNDDEHW C37H47N11O16 901.3203 NA PeJP NA NA +PJ072637 PDMMMMF C38H59N7O10S4 901.3207 NA PeJP NA NA +PJ072638 GCCDRYW C38H51N11O11S2 901.3211 NA PeJP NA NA +PJ072639 CCCMMRR C31H59N13O8S5 901.3214 NA PeJP NA NA +PJ072640 GSSCDDRY C34H51N11O16S 901.3236 NA PeJP NA NA +PJ072641 GGGGEEEMH C34H51N11O16S 901.3237 NA PeJP NA NA +PJ072642 VEMMMMM C35H63N7O10S5 901.324 NA PeJP NA NA +PJ072643 GPTCCCRY C35H55N11O11S3 901.3245 NA PeJP NA NA +PJ072644 CNMYWW C43H51N9O9S2 901.3251 NA PeJP NA NA +PJ072645 GGCMYWW C43H51N9O9S2 901.3252 NA PeJP NA NA +PJ072646 SSSSSCCNK C31H55N11O16S2 901.327 NA PeJP NA NA +PJ072647 SSNDMYW C39H51N9O14S 901.3276 NA PeJP NA NA +PJ072648 GGSSDMYW C39H51N9O14S 901.3277 NA PeJP NA NA +PJ072649 GSSCMMMR C32H59N11O11S4 901.3279 NA PeJP NA NA +PJ072650 PCCCKYW C40H55N9O9S3 901.3285 NA PeJP NA NA +PJ072651 SSSSNEEY C35H51N9O19 901.3301 NA PeJP NA NA +PJ072652 GGSSSSEEY C35H51N9O19 901.3302 NA PeJP NA NA +PJ072653 SSSSSMMW C36H55N9O14S2 901.331 NA PeJP NA NA +PJ072654 CQYYYY C44H51N7O12S 901.3317 NA PeJP NA NA +PJ072655 TCCKMMW C37H59N9O9S4 901.3319 NA PeJP NA NA +PJ072656 CNNMHHF C37H51N13O10S2 901.3324 NA PeJP NA NA +PJ072657 SSSSSSTEM C32H55N9O19S 901.3335 NA PeJP NA NA +PJ072658 SPDEEYY C40H51N7O17 901.3342 NA PeJP NA NA +PJ072659 SSSTQMMM C33H59N9O14S3 901.3344 NA PeJP NA NA +PJ072660 NDDDMHR C33H51N13O15S 901.3349 NA PeJP NA NA +PJ072661 PPCEMYY C41H55N7O12S2 901.335 NA PeJP NA NA +PJ072662 PDDMMFF C41H55N7O12S2 901.3351 NA PeJP NA NA +PJ072663 CQKMMMM C34H63N9O9S5 901.3353 NA PeJP NA NA +PJ072664 GSDDHWW C41H47N11O13 901.3355 NA PeJP NA NA +PJ072665 CCCDFRR C34H55N13O10S3 901.3357 NA PeJP NA NA +PJ072666 APCCHWW C42H51N11O8S2 901.3364 NA PeJP NA NA +PJ072667 TTEEEMY C37H55N7O17S 901.3375 NA PeJP NA NA +PJ072668 PTEMMMY C38H59N7O12S3 901.3384 NA PeJP NA NA +PJ072669 GNEEMHW C38H51N11O13S 901.3389 NA PeJP NA NA +PJ072670 GCCMFRW C39H55N11O8S3 901.3398 NA PeJP NA NA +PJ072671 GSSSSSNNY C34H51N11O18 901.3414 NA PeJP NA NA +PJ072672 SCNEMRY C35H55N11O13S2 901.3423 NA PeJP NA NA +PJ072673 NNDEHHH C35H47N15O14 901.3427 NA PeJP NA NA +PJ072674 GGGGDEHHH C35H47N15O14 901.3428 NA PeJP NA NA +PJ072675 GSTCYWW C43H51N9O11S 901.3429 NA PeJP NA NA +PJ072676 CLMMMHH C36H59N11O8S4 901.3431 NA PeJP NA NA +PJ072677 TCMHHHH C36H51N15O9S2 901.3436 NA PeJP NA NA +PJ072678 GSSSSEYW C39H51N9O16 901.3454 NA PeJP NA NA +PJ072679 SSSTCMMR C32H59N11O13S3 901.3456 NA PeJP NA NA +PJ072680 GSCNNDHR C32H51N15O14S 901.3461 NA PeJP NA NA +PJ072681 GSQMMYW C40H55N9O11S2 901.3463 NA PeJP NA NA +PJ072682 CCKMMMR C33H63N11O8S5 901.3465 NA PeJP NA NA +PJ072683 GSSTQEMY C36H55N9O16S 901.3488 NA PeJP NA NA +PJ072684 EEEFYW C44H51N7O14 901.3494 NA PeJP NA NA +PJ072685 AQQMMMY C37H59N9O11S3 901.3496 NA PeJP NA NA +PJ072686 GAAQMMMY C37H59N9O11S3 901.3497 NA PeJP NA NA +PJ072687 GCDEHRW C37H51N13O12S 901.3501 NA PeJP NA NA +PJ072688 GGGGGGGPCHF C37H51N13O12S 901.3502 NA PeJP NA NA +PJ072689 GSSSTTTMM C33H59N9O16S2 901.3521 NA PeJP NA NA +PJ072690 GSSDDEHR C33H51N13O17 901.3526 NA PeJP NA NA +PJ072691 GGGGGPDDDR C33H51N13O17 901.3527 NA PeJP NA NA +PJ072692 APEEMYY C41H55N7O14S 901.3528 NA PeJP NA NA +PJ072693 GSSKMMMM C34H63N9O11S4 901.353 NA PeJP NA NA +PJ072694 SCCDRRY C34H55N13O12S2 901.3535 NA PeJP NA NA +PJ072695 NEMHWW C42H51N11O10S 901.3541 NA PeJP NA NA +PJ072696 GGEMHWW C42H51N11O10S 901.3542 NA PeJP NA NA +PJ072697 SLEEMMY C38H59N7O14S2 901.3562 NA PeJP NA NA +PJ072698 SSQEEHW C38H51N11O15 901.3566 NA PeJP NA NA +PJ072699 GGSTEEHW C38H51N11O15 901.3567 NA PeJP NA NA +PJ072700 PVMMMMY C39H63N7O9S4 901.357 NA PeJP NA NA +PJ072701 GSCMRYW C39H55N11O10S2 901.3575 NA PeJP NA NA +PJ072702 GNDHHHW C39H47N15O11 901.358 NA PeJP NA NA +PJ072703 CNFFWW C47H51N9O8S 901.3582 NA PeJP NA NA +PJ072704 GSSSDMRY C35H55N11O15S 901.36 NA PeJP NA NA +PJ072705 SSSSYWW C43H51N9O13 901.3606 NA PeJP NA NA +PJ072706 SPPDDWW C43H51N9O13 901.3607 NA PeJP NA NA +PJ072707 GNMMMRY C36H59N11O10S3 901.3609 NA PeJP NA NA +PJ072708 GSPCQHHH C36H51N15O11S 901.3614 NA PeJP NA NA +PJ072709 ACMHFFF C44H55N9O8S2 901.3615 NA PeJP NA NA +PJ072710 GNNNNNQQ C32H51N15O16 901.3638 NA PeJP NA NA +PJ072711 GGGNNNNQQ C32H51N15O16 901.3639 NA PeJP NA NA +PJ072712 SSTQMYW C40H55N9O13S 901.364 NA PeJP NA NA +PJ072713 GGPPEEMW C40H55N9O13S 901.3641 NA PeJP NA NA +PJ072714 SCCCCKKK C33H63N11O10S4 901.3643 NA PeJP NA NA +PJ072715 CNNQMHR C33H55N15O11S2 901.3647 NA PeJP NA NA +PJ072716 GGGGGACMHR C33H55N15O11S2 901.3648 NA PeJP NA NA +PJ072717 GCKMMFW C41H59N9O8S3 901.3649 NA PeJP NA NA +PJ072718 CDHRWW C41H51N13O9S 901.3654 NA PeJP NA NA +PJ072719 SSSSDKEY C36H55N9O18 901.3665 NA PeJP NA NA +PJ072720 AAPQEEEE C36H55N9O18 901.3666 NA PeJP NA NA +PJ072721 SNKEMMY C37H59N9O13S2 901.3674 NA PeJP NA NA +PJ072722 SSDDHRW C37H51N13O14 901.3679 NA PeJP NA NA +PJ072723 CKYYYY C45H55N7O11S 901.368 NA PeJP NA NA +PJ072724 PPPCYYY C45H55N7O11S 901.3681 NA PeJP NA NA +PJ072725 PTCCHRW C38H55N13O9S2 901.3688 NA PeJP NA NA +PJ072726 GMHWWW C46H51N11O7S 901.3694 NA PeJP NA NA +PJ072727 SSSSTTTTM C33H59N9O18S 901.3699 NA PeJP NA NA +PJ072728 GLEEEYY C41H55N7O16 901.3706 NA PeJP NA NA +PJ072729 SSSTKMMM C34H63N9O13S3 901.3708 NA PeJP NA NA +PJ072730 GSSQQQMH C34H55N13O14S 901.3712 NA PeJP NA NA +PJ072731 SNEEMHR C34H55N13O14S 901.3713 NA PeJP NA NA +PJ072732 PPTMMYY C42H59N7O11S2 901.3714 NA PeJP NA NA +PJ072733 CKKMMMM C35H67N9O8S5 901.3717 NA PeJP NA NA +PJ072734 GSTEHWW C42H51N11O12 901.3719 NA PeJP NA NA +PJ072735 ACCMRRY C35H59N13O9S3 901.3721 NA PeJP NA NA +PJ072736 VVEMMMY C39H63N7O11S3 901.3748 NA PeJP NA NA +PJ072737 SSTCRYW C39H55N11O12S 901.3753 NA PeJP NA NA +PJ072738 GQYYWW C47H51N9O10 901.3759 NA PeJP NA NA +PJ072739 CCNNHRR C32H55N17O10S2 901.376 NA PeJP NA NA +PJ072740 GMHHHHF C40H51N15O8S 901.3766 NA PeJP NA NA +PJ072741 SSSSSERY C35H55N11O17 901.3778 NA PeJP NA NA +PJ072742 SSQMMRY C36H59N11O12S2 901.3786 NA PeJP NA NA +PJ072743 GGGSCCKKY C36H59N11O12S2 901.3787 NA PeJP NA NA +PJ072744 SQQEHHH C36H51N15O13 901.3791 NA PeJP NA NA +PJ072745 GPPEMWW C44H55N9O10S 901.3793 NA PeJP NA NA +PJ072746 GSSTTTYW C40H55N9O15 901.3818 NA PeJP NA NA +PJ072747 SCDEHRR C33H55N15O13S 901.3825 NA PeJP NA NA +PJ072748 GSKMMYW C41H59N9O10S2 901.3827 NA PeJP NA NA +PJ072749 GNNQHFW C41H51N13O11 901.3831 NA PeJP NA NA +PJ072750 GGGGGQHFW C41H51N13O11 901.3832 NA PeJP NA NA +PJ072751 PCCMHRR C34H59N15O8S3 901.3834 NA PeJP NA NA +PJ072752 GSSTKEMY C37H59N9O15S 901.3852 NA PeJP NA NA +PJ072753 LEEYYW C45H55N7O13 901.3858 NA PeJP NA NA +PJ072754 AQKMMMY C38H63N9O10S3 901.386 NA PeJP NA NA +PJ072755 GAAPPPMMM C38H63N9O10S3 901.3861 NA PeJP NA NA +PJ072756 GSEMHRW C38H55N13O11S 901.3865 NA PeJP NA NA +PJ072757 STHWWW C46H51N11O9 901.3871 NA PeJP NA NA +PJ072758 PNNWWW C46H51N11O9 901.3872 NA PeJP NA NA +PJ072759 PDDDERR C34H55N13O16 901.389 NA PeJP NA NA +PJ072760 GGGGGGGGGAAVE C34H55N13O16 901.3891 NA PeJP NA NA +PJ072761 SPLEMYY C42H59N7O13S 901.3892 NA PeJP NA NA +PJ072762 SSCMRRY C35H59N13O11S2 901.3899 NA PeJP NA NA +PJ072763 PVMMMFF C43H63N7O8S3 901.3901 NA PeJP NA NA +PJ072764 SNDHHHR C35H51N17O12 901.3903 NA PeJP NA NA +PJ072765 GGSDHHHR C35H51N17O12 901.3904 NA PeJP NA NA +PJ072766 DKMHWW C43H55N11O9S 901.3905 NA PeJP NA NA +PJ072767 GPEEERW C39H55N11O14 901.393 NA PeJP NA NA +PJ072768 GGGGPDKEW C39H55N11O14 901.3931 NA PeJP NA NA +PJ072769 VLMMMMF C40H67N7O8S4 901.3934 NA PeJP NA NA +PJ072770 GLQMMHW C40H59N11O9S2 901.3939 NA PeJP NA NA +PJ072771 GTQHHHW C40H51N15O10 901.3944 NA PeJP NA NA +PJ072772 PPMWWW C48H55N9O7S 901.3946 NA PeJP NA NA +PJ072773 GSSTTMRY C36H59N11O14S 901.3964 NA PeJP NA NA +PJ072774 SPPTEWW C44H55N9O12 901.397 NA PeJP NA NA +PJ072775 GPVEEWW C44H55N9O12 901.3971 NA PeJP NA NA +PJ072776 ACKMMRY C37H63N11O9S3 901.3973 NA PeJP NA NA +PJ072777 VNQMHHH C37H55N15O10S 901.3977 NA PeJP NA NA +PJ072778 GGVQMHHH C37H55N15O10S 901.3978 NA PeJP NA NA +PJ072779 SSSSNQHR C33H55N15O15 901.4002 NA PeJP NA NA +PJ072780 GGGGSSSTHR C33H55N15O15 901.4003 NA PeJP NA NA +PJ072781 SSTKMYW C41H59N9O12S 901.4004 NA PeJP NA NA +PJ072782 GDMMHRR C34H59N15O10S2 901.4011 NA PeJP NA NA +PJ072783 SMHRWW C42H55N13O8S 901.4018 NA PeJP NA NA +PJ072784 SSSTTKEY C37H59N9O17 901.4029 NA PeJP NA NA +PJ072785 SDKKMMY C38H63N9O12S2 901.4038 NA PeJP NA NA +PJ072786 SSTEHRW C38H55N13O13 901.4043 NA PeJP NA NA +PJ072787 PPCLFYY C46H59N7O10S 901.4044 NA PeJP NA NA +PJ072788 PVDMFFF C46H59N7O10S 901.4045 NA PeJP NA NA +PJ072789 AAMMHRW C39H59N13O8S2 901.4051 NA PeJP NA NA +PJ072790 PTHHHHH C39H51N17O9 901.4056 NA PeJP NA NA +PJ072791 SVLEEYY C42H59N7O15 901.4069 NA PeJP NA NA +PJ072792 SDKEMHR C35H59N13O13S 901.4076 NA PeJP NA NA +PJ072793 GGGAPQEMR C35H59N13O13S 901.4077 NA PeJP NA NA +PJ072794 PVVMMYY C43H63N7O10S2 901.4078 NA PeJP NA NA +PJ072795 PEERWW C43H55N11O11 901.4083 NA PeJP NA NA +PJ072796 PCKMMHR C36H63N13O8S3 901.4085 NA PeJP NA NA +PJ072797 GQMHHHR C36H55N17O9S 901.409 NA PeJP NA NA +PJ072798 TLLMMMY C40H67N7O10S3 901.4112 NA PeJP NA NA +PJ072799 NNNNDRR C32H55N17O14 901.4115 NA PeJP NA NA +PJ072800 STLQMHW C40H59N11O11S 901.4116 NA PeJP NA NA +PJ072801 SPPEMRW C40H59N11O11S 901.4117 NA PeJP NA NA +PJ072802 PVEWWW C48H55N9O9 901.4123 NA PeJP NA NA +PJ072803 SSSTTTRY C36H59N11O16 901.4141 NA PeJP NA NA +PJ072804 PDKEEER C36H59N11O16 901.4142 NA PeJP NA NA +PJ072805 SSKMMRY C37H63N11O11S2 901.415 NA PeJP NA NA +3577 NA QSQPQAFP 901.415 ACE inhibitor Inhouse_peptide NA peptide +PJ072806 GGGGAPPKMM C37H63N11O11S2 901.4151 NA PeJP NA NA +PJ072807 GNNQQRW C37H55N15O12 901.4155 NA PeJP NA NA +PJ072808 SPPVMWW C45H59N9O9S 901.4157 NA PeJP NA NA +PJ072809 PVDKEEW C41H59N9O14 901.4182 NA PeJP NA NA +PJ072810 SSEMHRR C34H59N15O12S 901.4189 NA PeJP NA NA +PJ072811 AQKMMFF C42H63N9O9S2 901.419 NA PeJP NA NA +PJ072812 PPLQMMW C42H63N9O9S2 901.4191 NA PeJP NA NA +PJ072813 GSPNRWW C42H55N13O10 901.4195 NA PeJP NA NA +PJ072814 GCHHHRR C35H55N19O8S 901.4202 NA PeJP NA NA +PJ072815 SSSSLKMY C38H63N9O14S 901.4215 NA PeJP NA NA +PJ072816 APPTKEEM C38H63N9O14S 901.4216 NA PeJP NA NA +PJ072817 SPPLYYY C46H59N7O12 901.4222 NA PeJP NA NA +PJ072818 AKKMMMY C39H67N9O9S3 901.4224 NA PeJP NA NA +PJ072819 ATTMHRW C39H59N13O10S 901.4229 NA PeJP NA NA +PJ072820 VQHFWW C47H55N11O8 901.4235 NA PeJP NA NA +PJ072821 GGLHFWW C47H55N11O8 901.4236 NA PeJP NA NA +PJ072822 SPEEERR C35H59N13O15 901.4254 NA PeJP NA NA +PJ072823 ALLEMYY C43H63N7O12S 901.4256 NA PeJP NA NA +PJ072824 PPDMMRR C36H63N13O10S2 901.4263 NA PeJP NA NA +PJ072825 STQHHHR C36H55N17O11 901.4267 NA PeJP NA NA +PJ072826 GGGGPQHHR C36H55N17O11 901.4268 NA PeJP NA NA +PJ072827 CKFRYW C44H59N11O8S 901.4269 NA PeJP NA NA +PJ072828 SPVEERW C40H59N11O13 901.4294 NA PeJP NA NA +PJ072829 PPCLMRW C41H63N11O8S2 901.4303 NA PeJP NA NA +PJ072830 GTKHHHW C41H55N15O9 901.4308 NA PeJP NA NA +PJ072831 PLQEEMR C37H63N11O13S 901.4328 NA PeJP NA NA +PJ072832 APTLEWW C45H59N9O11 901.4334 NA PeJP NA NA +PJ072833 GGPPLEFW C45H59N9O11 901.4335 NA PeJP NA NA +PJ072834 PKKMMMH C38H67N11O8S3 901.4337 NA PeJP NA NA +PJ072835 GPCQRRW C38H59N15O9S 901.4341 NA PeJP NA NA +PJ072836 AHFRWW C46H55N13O7 901.4348 NA PeJP NA NA +PJ072837 GQQEERR C34H59N15O14 901.4366 NA PeJP NA NA +PJ072838 GGGAAEERR C34H59N15O14 901.4367 NA PeJP NA NA +PJ072839 PVLQEMW C42H63N9O11S 901.4368 NA PeJP NA NA +PJ072840 ATMMHRR C35H63N15O9S2 901.4375 NA PeJP NA NA +PJ072841 STTTTTKY C38H63N9O16 901.4393 NA PeJP NA NA +7879 peptide from b-casein (ovine and caprine milk) YQEPVLGP 901.44 ACE inhibitor Inhouse_peptide NA peptide +PJ072842 TTKKMMY C39H67N9O11S2 901.4402 NA PeJP NA NA +PJ072843 TTTTHRW C39H59N13O12 901.4406 NA PeJP NA NA +PJ072844 GVQQERW C39H59N13O12 901.4407 NA PeJP NA NA +PJ072845 PVVMFFY C47H63N7O9S 901.4408 NA PeJP NA NA +PJ072846 VVHHHHH C40H55N17O8 901.442 NA PeJP NA NA +PJ072847 TTLLEYY C43H63N7O14 901.4433 NA PeJP NA NA +PJ072848 PVDEMRR C36H63N13O12S 901.444 NA PeJP NA NA +PJ072849 GGGGGGGPKKM C36H63N13O12S 901.4441 NA PeJP NA NA +PJ072850 VVLMMFY C44H67N7O9S2 901.4442 NA PeJP NA NA +PJ072851 GPTQKWW C44H59N11O10 901.4447 NA PeJP NA NA +PJ072852 PPCHHRR C37H59N17O8S 901.4454 NA PeJP NA NA +PJ072853 GNDERRR C33H59N17O13 901.4479 NA PeJP NA NA +PJ072854 APLEMRW C41H63N11O10S 901.448 NA PeJP NA NA +PJ072855 PVVDMRW C41H63N11O10S 901.4481 NA PeJP NA NA +PJ072856 GPPLFWW C49H59N9O8 901.4487 NA PeJP NA NA +PJ072857 VLQEEER C37H63N11O15 901.4505 NA PeJP NA NA +PJ072858 LLNEEER C37H63N11O15 901.4506 NA PeJP NA NA +PJ072859 GPPTLMMR C38H67N11O10S2 901.4514 NA PeJP NA NA +PJ072860 QQERRW C38H59N15O11 901.4519 NA PeJP NA NA +PJ072861 GPLLMWW C46H63N9O8S 901.4521 NA PeJP NA NA +PJ072862 PTLKEEW C42H63N9O13 901.4546 NA PeJP NA NA +PJ072863 TTTMHRR C35H63N15O11S 901.4553 NA PeJP NA NA +PJ072864 PPLKMMW C43H67N9O8S2 901.4554 NA PeJP NA NA +PJ072865 VQQRWW C43H59N13O9 901.4559 NA PeJP NA NA +PJ072866 APVLDKEM C39H67N9O13S 901.4579 NA PeJP NA NA +PJ072867 GPVLKEEM C39H67N9O13S 901.458 NA PeJP NA NA +PJ072868 APLLYYY C47H63N7O11 901.4586 NA PeJP NA NA +PJ072869 GPQKMRW C40H63N13O9S 901.4593 NA PeJP NA NA +PJ072870 VKHFWW C48H59N11O7 901.4599 NA PeJP NA NA +PJ072871 ALEEERR C36H63N13O14 901.4618 NA PeJP NA NA +PJ072872 SLLLMYY C44H67N7O11S 901.4619 NA PeJP NA NA +PJ072873 SLKMMHR C37H67N13O9S2 901.4626 NA PeJP NA NA +PJ072874 VTKMMHR C37H67N13O9S2 901.4627 NA PeJP NA NA +PJ072875 NDRRRW C37H59N17O10 901.4631 NA PeJP NA NA +PJ072876 GLLEERW C41H63N11O12 901.4658 NA PeJP NA NA +PJ072877 SPCQRRR C34H63N17O10S 901.4665 NA PeJP NA NA +PJ072878 AQRRWW C42H59N15O8 901.4671 NA PeJP NA NA +PJ072879 GAARRWW C42H59N15O8 901.4672 NA PeJP NA NA +PJ072880 PLKEEMR C38H67N11O12S 901.4692 NA PeJP NA NA +PJ072881 GVLLEWW C46H63N9O10 901.4698 NA PeJP NA NA +PJ072882 GPCKRRW C39H63N15O8S 901.4705 NA PeJP NA NA +PJ072883 GQKEERR C35H63N15O13 901.473 NA PeJP NA NA +PJ072884 PVLKEMW C43H67N9O10S 901.4732 NA PeJP NA NA +PJ072885 CCKKKHR C36H67N15O8S2 901.4739 NA PeJP NA NA +PJ072886 AALLKEEE C39H67N9O15 901.4757 NA PeJP NA NA +PJ072887 SPPVLKMM C40H71N9O10S2 901.4766 NA PeJP NA NA +PJ072888 GVQKERW C40H63N13O11 901.477 NA PeJP NA NA +PJ072889 GGGLKERW C40H63N13O11 901.4771 NA PeJP NA NA +PJ072890 VVLMFFF C48H67N7O8S 901.4772 NA PeJP NA NA +PJ072891 PTLEMRR C37H67N13O11S 901.4804 NA PeJP NA NA +PJ072892 LLERWW C45H63N11O9 901.4811 NA PeJP NA NA +PJ072893 MHFRRR C38H63N17O7S 901.4818 NA PeJP NA NA +PJ072894 SNNQKRR C34H63N17O12 901.4842 NA PeJP NA NA +PJ072895 GTQERRR C34H63N17O12 901.4843 NA PeJP NA NA +PJ072896 SPLLMRW C42H67N11O9S 901.4844 NA PeJP NA NA +PJ072897 VLLWWW C50H63N9O7 901.4851 NA PeJP NA NA +PJ072898 VLKEEER C38H67N11O14 901.4869 NA PeJP NA NA +PJ072899 GGAALKKEE C38H67N11O14 901.487 NA PeJP NA NA +PJ072900 AAPLLMMR C39H71N11O9S2 901.4878 NA PeJP NA NA +PJ072901 QKERRW C39H63N15O10 901.4883 NA PeJP NA NA +PJ072902 TLLLQEW C43H67N9O12 901.4909 NA PeJP NA NA +PJ072903 VVLKEEW C43H67N9O12 901.491 NA PeJP NA NA +PJ072904 SPQKMRR C36H67N15O10S 901.4916 NA PeJP NA NA +PJ072905 GGPTKMRR C36H67N15O10S 901.4917 NA PeJP NA NA +PJ072906 VQKRWW C44H63N13O8 901.4923 NA PeJP NA NA +PJ072907 APTLLKEM C40H71N9O12S 901.4943 NA PeJP NA NA +PJ072908 ALLLFYY C48H67N7O10 901.495 NA PeJP NA NA +PJ072909 GSDRRRR C33H63N19O11 901.4955 NA PeJP NA NA +PJ072910 GPKKMRW C41H67N13O8S 901.4957 NA PeJP NA NA +PJ072911 SLLEERR C37H67N13O13 901.4982 NA PeJP NA NA +PJ072912 PVLMMRR C38H71N13O8S2 901.499 NA PeJP NA NA +PJ072913 TQRRRW C38H63N17O9 901.4995 NA PeJP NA NA +PJ072914 SVLLERW C42H67N11O11 901.5022 NA PeJP NA NA +PJ072915 GVQMRRR C35H67N17O9S 901.5029 NA PeJP NA NA +MJ097288 Antibiotic CP 56064; 12,13-Epoxide C45H75NO17 901.503499 NA MeJP NA NA +MJ097289 Leptinidine; 5,6-Dihydro, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C45H75NO17 901.503499 NA MeJP NA NA +MJ097290 Spiramycin S; 18-Aldehyde, 3-propanoyl C45H75NO17 901.503499 NA MeJP NA NA +MJ097291 Spirosolan-3-ol, Glycoside(2) C45H75NO17 901.503499 NA MeJP NA NA +MJ097292 Spirosolan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C45H75NO17 901.503499 NA MeJP NA NA +MJ097293 Tylosin; 2C-O-De-Me C45H75NO17 901.503499 NA MeJP NA NA +MJ097294 Tylosin; 3C-O-De-Me C45H75NO17 901.503499 NA MeJP NA NA +C00744 Macrocin C45H75NO17 901.5035 NA KEGG NA NA +PJ072916 AKRRWW C43H63N15O7 901.5035 NA PeJP NA NA +PJ072917 LLLQEMR C39H71N11O11S 901.5056 NA PeJP NA NA +PJ072918 ATLLLWW C47H67N9O9 901.5062 NA PeJP NA NA +PJ072919 GKKEERR C36H67N15O12 901.5094 NA PeJP NA NA +PJ072920 VLLLQMW C44H71N9O9S 901.5096 NA PeJP NA NA +PJ072921 GTLLLKEE C40H71N9O14 901.5121 NA PeJP NA NA +PJ072922 GPLLLKMM C41H75N9O9S2 901.513 NA PeJP NA NA +PJ072923 GVKKERW C41H67N13O10 901.5134 NA PeJP NA NA +PJ072924 QMRRRR C34H67N19O8S 901.5141 NA PeJP NA NA +PJ072925 VVLEMRR C38H71N13O10S 901.5168 NA PeJP NA NA +PJ072926 AALKKWW C46H67N11O8 901.5175 NA PeJP NA NA +PJ072927 GTKERRR C35H67N17O11 901.5206 NA PeJP NA NA +PJ072928 GGGGSKKRR C35H67N17O11 901.5207 NA PeJP NA NA +PJ072929 ALLLMRW C43H71N11O8S 901.5208 NA PeJP NA NA +PJ072930 GTTLLLER C39H71N11O13 901.5233 NA PeJP NA NA +PJ072931 KKERRW C40H67N15O9 901.5247 NA PeJP NA NA +PJ072932 CRRRRR C33H67N21O7S 901.5254 NA PeJP NA NA +PJ072933 TLLLKEW C44H71N9O11 901.5273 NA PeJP NA NA +PJ072934 GGGPLLLLY C44H71N9O11 901.5274 NA PeJP NA NA +PJ072935 SPKKMRR C37H71N15O9S 901.528 NA PeJP NA NA +PJ072936 VKKRWW C45H67N13O7 901.5287 NA PeJP NA NA +PJ072937 GVLLLKEM C41H75N9O11S 901.5307 NA PeJP NA NA +PJ072938 GTTRRRR C34H67N19O10 901.5319 NA PeJP NA NA +PJ072939 TLQKKER C38H71N13O12 901.5345 NA PeJP NA NA +PJ072940 VDKKKER C38H71N13O12 901.5346 NA PeJP NA NA +PJ072941 TKRRRW C39H67N17O8 901.5359 NA PeJP NA NA +PJ072942 TTLLLRW C43H71N11O10 901.5386 NA PeJP NA NA +PJ072943 GVKMRRR C36H71N17O8S 901.5393 NA PeJP NA NA +MJ097295 Angolamycin; 20-Deoxo C46H79NO16 901.539885 NA MeJP NA NA +PJ072944 LLLKEMR C40H75N11O10S 901.542 NA PeJP NA NA +PJ072945 PVLLKFW C48H71N9O8 901.5426 NA PeJP NA NA +PJ072946 SVKKERR C37H71N15O11 901.5458 NA PeJP NA NA +PJ072947 VLLLKMW C45H75N9O8S 901.546 NA PeJP NA NA +PJ072948 SSLLLLKE C41H75N9O13 901.5485 NA PeJP NA NA +PJ072949 ATLKKRW C42H71N13O9 901.5498 NA PeJP NA NA +PJ072950 KMRRRR C35H71N19O7S 901.5505 NA PeJP NA NA +PJ072951 TLLLMRR C39H75N13O9S 901.5532 NA PeJP NA NA +PJ072952 SSLKRRR C36H71N17O10 901.557 NA PeJP NA NA +PJ072953 SSTLLLLR C40H75N11O12 901.5597 NA PeJP NA NA +PJ072954 VLLKHHR C41H71N15O8 901.561 NA PeJP NA NA +PJ072955 APKKFRR C41H71N15O8 901.5611 NA PeJP NA NA +PJ072956 GPVLLLKY C45H75N9O10 901.5637 NA PeJP NA NA +PJ072957 ALKKMRR C38H75N15O8S 901.5644 NA PeJP NA NA +PJ072958 ATLLLLKM C42H79N9O10S 901.5671 NA PeJP NA NA +PJ072959 TLKKKER C39H75N13O11 901.5709 NA PeJP NA NA +PJ072960 GGKKKKKE C39H75N13O11 901.571 NA PeJP NA NA +PJ072961 SLLKKKW C44H75N11O9 901.575 NA PeJP NA NA +PJ072962 AALLKKKM C41H79N11O9S 901.5783 NA PeJP NA NA +PJ072963 TTLKKRR C38H75N15O10 901.5822 NA PeJP NA NA +PJ072964 TTTLLLLK C42H79N9O12 901.5849 NA PeJP NA NA +PJ072965 GKKKKKW C43H75N13O8 901.5862 NA PeJP NA NA +PJ072966 VLKKKMR C40H79N13O8S 901.5896 NA PeJP NA NA +PJ072967 ATTLLKKK C41H79N11O11 901.5961 NA PeJP NA NA +PJ072968 GVLLLLKF C46H79N9O9 901.6001 NA PeJP NA NA +PJ072969 DKKKKKK C40H79N13O10 901.6073 NA PeJP NA NA +PJ072970 LLLLKFR C45H79N11O8 901.6113 NA PeJP NA NA +PJ072971 SKKKKKR C39H79N15O9 901.6186 NA PeJP NA NA +MJ097296 Xenopsin 1 C51H79N15 901.664287 NA MeJP NA NA +HMDB08289 PC(20:0/24:0) C52H104NO8P 901.749939 NA HMDB2010 NA NA +HMDB08545 PC(22:0/22:0) C52H104NO8P 901.749939 NA HMDB2010 NA NA +HMDB08767 PC(24:0/20:0) C52H104NO8P 901.749939 NA HMDB2010 NA NA +3237 bombolitin II from venom of bumble bee (Megabombus SKITDILAKLGKVLAHV~ 902.05645 MH2+ Inhouse_peptide NA peptide +MJ097297 Heptafuhalol A; 4'''-Deoxy C42H30O23 902.117787 NA MeJP NA NA +MJ097298 Pentafuhalol A; 1-O-(2,4,6-Trihydroxyphenyl), 4''''-O-(3,4,5-trihydroxyphenyl) C42H30O23 902.117787 NA MeJP NA NA +PJ072972 CCCCCCCY C30H46N8O10S7 902.1382 NA PeJP NA NA +PJ072973 CCCCCCEH C29H46N10O11S6 902.1672 NA PeJP NA NA +PJ072974 CCCDDDDD C29H42N8O19S3 902.1729 NA PeJP NA NA +PJ072975 CCCCNNDE C29H46N10O15S4 902.2027 NA PeJP NA NA +PJ072976 GGGGCCCCDE C29H46N10O15S4 902.2028 NA PeJP NA NA +PJ072977 TCCCCCMH C30H50N10O10S6 902.2036 NA PeJP NA NA +PJ072978 SCCDDDDM C30H46N8O18S3 902.2093 NA PeJP NA NA +PJ072979 PCCCCDEM C31H50N8O13S5 902.2101 NA PeJP NA NA +PJ072980 GCCCCNDW C33H46N10O12S4 902.218 NA PeJP NA NA +PJ072981 GSSCCCNDD C29H46N10O17S3 902.2205 NA PeJP NA NA +PJ072982 GSPCCCCCQ C30H50N10O12S5 902.2214 NA PeJP NA NA +MetaCyc04280 coenzyme α-F420-3 [] C34H43N6O21P1 902.221889 NA metacyc NA NA +C08542 Celosianin II C40H42N2O22 902.2229 NA KEGG NA NA +PJ072983 GCCDDEMM C31H50N8O15S4 902.2279 NA PeJP NA NA +PJ072984 GCCCCMHF C34H50N10O9S5 902.2366 NA PeJP NA NA +PJ072985 SCCCNNEM C30H50N10O14S4 902.2391 NA PeJP NA NA +PJ072986 GCCDDDEF C34H46N8O17S2 902.2423 NA PeJP NA NA +PJ072987 CCDDMMW C35H50N8O12S4 902.2431 NA PeJP NA NA +PJ072988 SSCDDDMM C31H50N8O17S3 902.2456 NA PeJP NA NA +PJ072989 SPCCCEMM C32H54N8O12S5 902.2465 NA PeJP NA NA +PJ072990 GCCCDEHH C32H46N12O13S3 902.247 NA PeJP NA NA +FL3FAADS0046 Isovitexin 2''-O-(6'''-(E)-p-coumaroyl)glucoside 4'-O-glucoside C42H46O22 902.24807 372113-51-4 knapsack NA NA +FL5FAAGA0043 Variabiloside C C42H46O22 902.24807 113270-94-3 knapsack NA NA +FL5FAAGA0044 Variabiloside D C42H46O22 902.24807 113349-37-4 knapsack NA NA +FL5FAAGA0046 Kaempferol 3-caffeylrobinobioside-7-rhamnoside C42H46O22 902.24807 107742-06-3 knapsack NA NA +FL5FAAGL0100 Kaempferol 3-neohesperidoside-7-(2''-p-coumarylglucoside) C42H46O22 902.24807 173268-23-0 knapsack NA NA +FL5FAAGL0108 Kaempferol 7-O-(6-trans-p-coumaroyl)-beta-glucopyranosyl-(1->3)-alpha-rhamnopyranoside-3-O-beta-glucopyranoside C42H46O22 902.24807 352644-39-4 knapsack NA NA +FL5FAAGS0062 Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside C42H46O22 902.24807 142997-34-0 knapsack NA NA +FL5FAAGS0130 Kaempferol 3-(4'''-p-coumaroylglucosyl)-(1->2)-rhamnoside-7-glucoside;3-[[6-Deoxy-2-O-[4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-alpha-L-mannopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C42H46O22 902.24807 368264-90-8 knapsack NA NA +FL5FAAGS0131 Kaempferol 3-(6'''-p-coumaroylglucosyl)-(1->2)-rhamnoside-7-glucoside;3-[[6-Deoxy-2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-alpha-L-mannopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C42H46O22 902.24807 368264-85-1 knapsack NA NA +FL5FAAGS0132 Kaempferol 3-glucosyl-(1->2)-rhamnoside-7-(6''-(E)-p-coumaroylglucoside);3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C42H46O22 902.24807 352283-41-1 knapsack NA NA +FL5FAAGS0133 Kaempferol 3-(6'''-(E)-p-coumaroylglucosyl)-(1->2)-glucoside-7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-3-[[2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C42H46O22 902.24807 626255-30-9 knapsack NA NA +FL5FACGA0044 Quercetin 3-(4''-(E)-p-coumarylrobinobioside)-7-rhamnoside C42H46O22 902.24807 111545-15-4 knapsack NA NA +MJ097299 3,3',4',5,7-Pentahydroxyflavan(6'?8)-3,3',4',5,7-pentahydroxyflavan, 3,3'-Di-O-?-D-glucopyranoside C42H46O22 902.248073 NA MeJP NA NA +MJ097300 3,4',5,7-Tetrahydroxyflavone; 3-O-(3,4-Dihydroxycinnamoylrobinobioside), 7-O-?-L-rhamnopyranoside C42H46O22 902.248073 NA MeJP NA NA +MJ097301 Afzelin; 2''-O-[?-D-Glucopyranosyl-(1?4)-4-hydroxycinnamoyl-(?6)-?-D-glucopyranosyl] C42H46O22 902.248073 NA MeJP NA NA +MJ097302 Populnin; 3-O-(4-Hydroxycinnamoylrutinoside) C42H46O22 902.248073 NA MeJP NA NA +MJ097303 Populnin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-D-glucopyranoside], 2''-O-(4-hydroxycinnamoyl) C42H46O22 902.248073 NA MeJP NA NA +MJ097304 Populnin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxy-E-cinnamoyl(?4)]-?-D-galactopyranoside] C42H46O22 902.248073 NA MeJP NA NA +MJ097305 Populnin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxy-Z-cinnamoyl(?4)]-?-D-galactopyranoside] C42H46O22 902.248073 NA MeJP NA NA +MJ097306 Vincetoxicoside B; 3-O-[4-Hydroxycinnamoyl-(?4)-?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C42H46O22 902.248073 NA MeJP NA NA +MJ097307 ?-Rhamnoisorobin; 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H46O22 902.248073 NA MeJP NA NA +MJ097308 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-[4-hydroxycinnamoyl-(?6)]-?-D-glucopyranoside](E-), 5-O-?-D-glucopyranoside C42H47O22(+) 902.248073 NA MeJP NA NA +PJ072991 SCCCCNDR C29H50N12O13S4 902.2504 NA PeJP NA NA +PJ072992 GDDDDDDH C32H42N10O21 902.2527 NA PeJP NA NA +PJ072993 GCCNNDDY C33H46N10O16S2 902.2535 NA PeJP NA NA +PJ072994 GSCCCNMW C34H50N10O11S4 902.2544 NA PeJP NA NA +PJ072995 GSSSCCNDM C30H50N10O16S3 902.2569 NA PeJP NA NA +PJ072996 CCDDDFW C38H46N8O14S2 902.2575 NA PeJP NA NA +PJ072997 GCCNNMMM C31H54N10O11S5 902.2577 NA PeJP NA NA +PJ072998 GGGCCNMMM C31H54N10O11S5 902.2578 NA PeJP NA NA +PJ072999 GSCDDDEY C34H46N8O19S 902.26 NA PeJP NA NA +PJ073000 GPCCDDMY C35H50N8O14S3 902.2609 NA PeJP NA NA +PJ073001 PPCCCCMF C36H54N8O9S5 902.2618 NA PeJP NA NA +PJ073002 CCCDHHW C36H46N12O10S3 902.2622 NA PeJP NA NA +PJ073003 GSCDEMMM C32H54N8O14S4 902.2643 NA PeJP NA NA +PJ073004 SSCCDDHH C32H46N12O15S2 902.2647 NA PeJP NA NA +PJ073005 GPCCMMMM C33H58N8O9S6 902.2651 NA PeJP NA NA +PJ073006 PTCCCCHH C33H50N12O10S4 902.2656 NA PeJP NA NA +PJ073007 GCCCCQMR C30H54N12O10S5 902.269 NA PeJP NA NA +FL3FAACS0075 Panzhihuacycaside;Vitexin 6''-O-Rhamnosyl-4'''-O-glucosyl-2'''-O-galactoside C39H50O24 902.2692 441067-48-7 knapsack NA NA +FL3FAAGS0032 Apigenin 7-neohesperidoside-4'-sophoroside C39H50O24 902.2692 70426-63-0 knapsack NA NA +FL5FAAGA0026 Kaempferol 3-(2Gal-glucosylrobinobioside)-7-rhamnoside;Desacyl gladiatoside A;Kaempferol 3-glucosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]-7-rhamnoside C39H50O24 902.2692 315716-56-4 knapsack NA NA +FL5FAAGA0027 Kaempferol 3-rhamnosyl-(1->2)[rhamnosyl-(1->6)-galactoside]-7-glucoside;Alangiflavoside;Mauritianin 7-O-beta-D-glucopyranoside C39H50O24 902.2692 172923-83-0 knapsack NA NA +FL5FAAGL0058 Kaempferol 3-galactosyl-(1->6)-glucoside-7-rhamnosyl-(1->3)-rhamnoside C39H50O24 902.2692 81944-31-2 knapsack NA NA +FL5FAAGL0106 Kaempferol 3-O-alpha-L-rhamnopyranosyl(1->6)-beta-D-glucopyranosyl(1->2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside;Kaempferol 3-(2G-glucosylrutinoside)-7-rhamnoside C39H50O24 902.2692 596814-72-1 knapsack NA NA +FL5FAAGS0098 Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside];3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[O-beta-D-glucopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->2)]-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C39H50O24 902.2692 214407-43-9 knapsack NA NA +MJ097309 1,8-Dihydroxy-3-methylanthraquinone; 1-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C39H50O24 902.269202 NA MeJP NA NA +MJ097310 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?6)-[?-D-xylopyranosyl-(1?2)]-?-D-glucopyranoside] C39H50O24 902.269202 NA MeJP NA NA +MJ097311 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-[?-L-rhamnopyranosyl-(1?3)-?-L-rhamnopyranoside] C39H50O24 902.269202 NA MeJP NA NA +MJ097312 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-[?-L-rhamnopyranosyl-(1??)-galactoside] C39H50O24 902.269202 NA MeJP NA NA +MJ097313 4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 4'-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C39H50O24 902.269202 NA MeJP NA NA +MJ097314 Trifolin; 2'',6''-Di-O-?-L-rhamnopyranosyl, 7-O-?-D-glucopyranoside C39H50O24 902.269202 NA MeJP NA NA +MJ097315 Trifolin; 2''-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl], 6''-O-rhamnopyranosyl C39H50O24 902.269202 NA MeJP NA NA +MJ097316 ?-Rhamnoisorobin; 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-galactopyranoside] C39H50O24 902.269202 NA MeJP NA NA +PJ073008 SPCDDDDH C33H46N10O18S 902.2713 NA PeJP NA NA +PJ073009 SSSCCCQW C34H50N10O13S3 902.2721 NA PeJP NA NA +PJ073010 GGGGGCCDMF C34H50N10O13S3 902.2722 NA PeJP NA NA +PJ073011 SSSSSCCNE C30H50N10O18S2 902.2746 NA PeJP NA NA +PJ073012 SCDDDYW C38H46N8O16S 902.2753 NA PeJP NA NA +PJ073013 SSCCNQMM C31H54N10O13S4 902.2755 NA PeJP NA NA +PJ073014 PCCCEYW C39H50N8O11S3 902.2762 NA PeJP NA NA +PJ073015 SSSDDDDY C34H46N8O21 902.2778 NA PeJP NA NA +PJ073016 SSPCCDEY C35H50N8O16S2 902.2786 NA PeJP NA NA +PJ073017 NDDDMMY C35H50N8O16S2 902.2787 NA PeJP NA NA +PJ073018 SCDMMMW C36H54N8O11S4 902.2795 NA PeJP NA NA +PJ073019 GCCCCCRR C29H54N14O9S5 902.2802 NA PeJP NA NA +PJ073020 SSSDDMMM C32H54N8O16S3 902.282 NA PeJP NA NA +PJ073021 GCNNDDEH C32H46N12O17S 902.2825 NA PeJP NA NA +PJ073022 NDMMMMM C33H58N8O11S5 902.2829 NA PeJP NA NA +PJ073023 GSCCEMHH C33H50N12O12S3 902.2834 NA PeJP NA NA +MJ097317 Catalpol; 6-O-[4-O-Acetyl-2,3-bis(4-hydroxy-3-methoxy-E-cinnamoyl)-?-L-rhamnopyranoside] C43H50O21 902.284458 NA MeJP NA NA +PJ073024 SSCCCNMR C30H54N12O12S4 902.2867 NA PeJP NA NA +PJ073025 CCCNQFW C38H50N10O10S3 902.2874 NA PeJP NA NA +PJ073026 GSDDDEEH C33H46N10O20 902.289 NA PeJP NA NA +PJ073027 GSSSSSCCW C34H50N10O15S2 902.2899 NA PeJP NA NA +PJ073028 GTCCCCKW C35H54N10O10S4 902.2908 NA PeJP NA NA +PJ073029 GSSSSSSSCD C30H50N10O20S 902.2924 NA PeJP NA NA +PJ073030 NDDDDFY C38H46N8O18 902.293 NA PeJP NA NA +PJ073031 GGDDDDFY C38H46N8O18 902.2931 NA PeJP NA NA +PJ073032 GSSSSCNMM C31H54N10O15S3 902.2933 NA PeJP NA NA +PJ073033 GCDEMYW C39H50N8O13S2 902.2939 NA PeJP NA NA +PJ073034 CCEMMMR C32H58N10O10S5 902.2941 NA PeJP NA NA +PJ073035 GSSDDEMY C35H50N8O18S 902.2964 NA PeJP NA NA +PJ073036 GSPCDMMY C36H54N8O13S3 902.2973 NA PeJP NA NA +PJ073037 CNNDDHW C36H46N12O14S 902.2978 NA PeJP NA NA +PJ073038 VCCMMMW C37H58N8O8S5 902.2981 NA PeJP NA NA +PJ073039 ACMMMMW C37H58N8O8S5 902.2982 NA PeJP NA NA +PJ073040 SCCMHHW C37H50N12O9S3 902.2986 NA PeJP NA NA +PJ073041 SSNNDDDH C32H46N12O19 902.3003 NA PeJP NA NA +PJ073042 SSVCDMMM C33H58N8O13S4 902.3006 NA PeJP NA NA +PJ073043 GSSEMMMM C33H58N8O13S4 902.3007 NA PeJP NA NA +PJ073044 SSSCDMHH C33H50N12O14S2 902.3011 NA PeJP NA NA +PJ073045 CNMMMHH C34H54N12O9S4 902.302 NA PeJP NA NA +PJ073046 SDDDEHW C37H46N10O17 902.3043 NA PeJP NA NA +PJ073047 GSSSTCCCR C30H54N12O14S3 902.3045 NA PeJP NA NA +PJ073048 SCCNQYW C38H50N10O12S2 902.3051 NA PeJP NA NA +PJ073049 GGGGTCCYW C38H50N10O12S2 902.3052 NA PeJP NA NA +PJ073050 GCCCCKMR C31H58N12O9S5 902.3054 NA PeJP NA NA +PJ073051 SSSCNNEY C34H50N10O17S 902.3076 NA PeJP NA NA +PJ073052 GGGGSSSCEY C34H50N10O17S 902.3077 NA PeJP NA NA +MJ097318 Decatromicin A; 4'',5''-Dichloro, N1''-Me C46H57Cl3N2O10 902.307879 NA MeJP NA NA +PJ073053 SSSCCCKW C35H54N10O12S3 902.3085 NA PeJP NA NA +PJ073054 CDMYWW C43H50N8O10S2 902.3092 NA PeJP NA NA +PJ073055 SSSSSSCQM C31H54N10O17S2 902.311 NA PeJP NA NA +PJ073056 SSDDMYW C39H50N8O15S 902.3117 NA PeJP NA NA +PJ073057 SSCCNKMM C32H58N10O12S4 902.3119 NA PeJP NA NA +PJ073058 GCNNNNMH C32H50N14O13S2 902.3124 NA PeJP NA NA +PJ073059 PTCCMYW C40H54N8O10S3 902.3125 NA PeJP NA NA +PJ073060 SSSSDEEY C35H50N8O20 902.3142 NA PeJP NA NA +PJ073061 SNEEMMY C36H54N8O15S2 902.315 NA PeJP NA NA +PJ073062 PPPCDDEM C36H54N8O15S2 902.3151 NA PeJP NA NA +PJ073063 CEYYYY C44H50N6O13S 902.3157 NA PeJP NA NA +PJ073064 SSMMMMW C37H58N8O10S4 902.3159 NA PeJP NA NA +PJ073065 GSPCCNHW C37H50N12O11S2 902.3164 NA PeJP NA NA +PJ073066 SSSTEMMM C33H58N8O15S3 902.3184 NA PeJP NA NA +PJ073067 DDDDMHR C33H50N12O16S 902.3189 NA PeJP NA NA +PJ073068 TQMMMMM C34H62N8O10S5 902.3193 NA PeJP NA NA +PJ073069 CCNNMRY C34H54N12O11S3 902.3197 NA PeJP NA NA +PJ073070 GGCCNMRY C34H54N12O11S3 902.3198 NA PeJP NA NA +PJ073071 SSSSSSCCR C30H54N12O16S2 902.3222 NA PeJP NA NA +PJ073072 GSSSCNYW C38H50N10O14S 902.3229 NA PeJP NA NA +PJ073073 STCCCCKR C31H58N12O11S4 902.3231 NA PeJP NA NA +PJ073074 CCCNKFW C39H54N10O9S3 902.3238 NA PeJP NA NA +PJ073075 GSSSSSNDY C34H50N10O19 902.3254 NA PeJP NA NA +PJ073076 SCDEMRY C35H54N10O14S2 902.3263 NA PeJP NA NA +PJ073077 NDDEHHH C35H46N14O15 902.3268 NA PeJP NA NA +PJ073078 GPCDYYW C43H50N8O12S 902.3269 NA PeJP NA NA +PJ073079 PCCMMRY C36H58N10O9S4 902.3271 NA PeJP NA NA +PJ073080 GPPCMMMH C36H58N10O9S4 902.3272 NA PeJP NA NA +PJ073081 CMMFWW C44H54N8O7S3 902.3278 NA PeJP NA NA +PJ073082 GSSSSSSSSM C31H54N10O19S 902.3288 NA PeJP NA NA +PJ073083 GNEEEYY C39H50N8O17 902.3294 NA PeJP NA NA +PJ073084 GSSSTCCKM C32H58N10O14S3 902.3296 NA PeJP NA NA +PJ073085 GSCNDDHR C32H50N14O15S 902.3301 NA PeJP NA NA +PJ073086 GGGGGGGGGGPCN C32H50N14O15S 902.3302 NA PeJP NA NA +PJ073087 GSEMMYW C40H54N8O12S2 902.3303 NA PeJP NA NA +PJ073088 TCMMMMR C33H62N10O9S5 902.3305 NA PeJP NA NA +PJ073089 GPCCCQHR C33H54N14O10S3 902.331 NA PeJP NA NA +PJ073090 ACCHHFW C41H50N12O8S2 902.3316 NA PeJP NA NA +PJ073091 GSSTEEMY C36H54N8O17S 902.3328 NA PeJP NA NA +PJ073092 AQEMMMY C37H58N8O12S3 902.3337 NA PeJP NA NA +PJ073093 SNNDMHW C37H50N12O13S 902.3341 NA PeJP NA NA +PJ073094 GGGGSDMHW C37H50N12O13S 902.3342 NA PeJP NA NA +PJ073095 SSSNNEEH C33H50N12O18 902.3366 NA PeJP NA NA +PJ073096 GPNDDDDR C33H50N12O18 902.3367 NA PeJP NA NA +PJ073097 GTTTMMMM C34H62N8O12S4 902.337 NA PeJP NA NA +PJ073098 GSSCCQRY C34H54N12O13S2 902.3375 NA PeJP NA NA +PJ073099 DEMHWW C42H50N10O11S 902.3382 NA PeJP NA NA +PJ073100 SNNNEYY C38H50N10O16 902.3406 NA PeJP NA NA +PJ073101 SSEEEHW C38H50N10O16 902.3407 NA PeJP NA NA +PJ073102 SCCNKYW C39H54N10O11S2 902.3415 NA PeJP NA NA +PJ073103 GGGGGACMFF C39H54N10O11S2 902.3416 NA PeJP NA NA +PJ073104 GDDHHHW C39H46N14O12 902.342 NA PeJP NA NA +PJ073105 CDFFWW C47H50N8O9S 902.3422 NA PeJP NA NA +PJ073106 SSSSNQMY C35H54N10O16S 902.344 NA PeJP NA NA +PJ073107 GGGGSPPDEM C35H54N10O16S 902.3441 NA PeJP NA NA +PJ073108 NEEYYW C43H50N8O14 902.3447 NA PeJP NA NA +PJ073109 GDMMMRY C36H58N10O11S3 902.3449 NA PeJP NA NA +PJ073110 GSPCEHHH C36H50N14O12S 902.3454 NA PeJP NA NA +PJ073111 SMMYWW C44H54N8O9S2 902.3455 NA PeJP NA NA +PJ073112 GPCMFYW C44H54N8O9S2 902.3456 NA PeJP NA NA +PJ073113 SSSSSSSSST C31H54N10O21 902.3465 NA PeJP NA NA +PJ073114 SSSSSSCKM C32H58N10O16S2 902.3474 NA PeJP NA NA +PJ073115 GSSSSNNNH C32H50N14O17 902.3479 NA PeJP NA NA +PJ073116 SSTEMYW C40H54N8O14S 902.348 NA PeJP NA NA +PJ073117 PPDEEMW C40H54N8O14S 902.3481 NA PeJP NA NA +PJ073118 STCCCKKM C33H62N10O11S4 902.3483 NA PeJP NA NA +PJ073119 CNNEMHR C33H54N14O12S2 902.3487 NA PeJP NA NA +PJ073120 GGCNEMHR C33H54N14O12S2 902.3488 NA PeJP NA NA +PJ073121 AAMMMYW C41H58N8O9S3 902.3489 NA PeJP NA NA +PJ073122 GSCQHWW C41H50N12O10S 902.3494 NA PeJP NA NA +PJ073123 SSSTTEEY C36H54N8O19 902.3505 NA PeJP NA NA +PJ073124 AAPEEEEE C36H54N8O19 902.3506 NA PeJP NA NA +PJ073125 SDKEMMY C37H58N8O14S2 902.3514 NA PeJP NA NA +PJ073126 GSSSNEHW C37H50N12O15 902.3519 NA PeJP NA NA +PJ073127 TMYYYY C45H54N6O12S 902.3521 NA PeJP NA NA +PJ073128 PCKMMMY C38H62N8O9S4 902.3523 NA PeJP NA NA +PJ073129 GNQMMHW C38H54N12O10S2 902.3528 NA PeJP NA NA +PJ073130 STTTTMMM C34H62N8O14S3 902.3548 NA PeJP NA NA +PJ073131 SSSSCNRY C34H54N12O15S 902.3553 NA PeJP NA NA +PJ073132 TKMMMMM C35H66N8O9S5 902.3557 NA PeJP NA NA +PJ073133 GPNDEWW C42H50N10O13 902.3559 NA PeJP NA NA +PJ073134 CCCQKRY C35H58N12O10S3 902.3561 NA PeJP NA NA +PJ073135 GAPPPCCCR C35H58N12O10S3 902.3562 NA PeJP NA NA +PJ073136 NNNMHHH C35H50N16O11S 902.3566 NA PeJP NA NA +MJ097319 Chukrasins; Chukrasin A C45H58O19 902.357229 NA MeJP NA NA +MJ097320 Amanitin; ?-Amanitin C39H54N10O13S 902.359252 NA MeJP NA NA +PJ073137 ATEEMHW C39H54N10O13S 902.3593 NA PeJP NA NA +PJ073138 GEYYWW C47H50N8O11 902.3599 NA PeJP NA NA +PJ073139 CCNDHRR C32H54N16O11S2 902.36 NA PeJP NA NA +PJ073140 APMMMHW C40H58N10O8S3 902.3602 NA PeJP NA NA +PJ073141 SPCHHHW C40H50N14O9S 902.3606 NA PeJP NA NA +PJ073142 GSSSSSTQY C35H54N10O18 902.3618 NA PeJP NA NA +PJ073143 SSEMMRY C36H58N10O13S2 902.3627 NA PeJP NA NA +PJ073144 NNNNNQW C36H50N14O14 902.3631 NA PeJP NA NA +PJ073145 GGGGGGGGNQW C36H50N14O14 902.3632 NA PeJP NA NA +PJ073146 GSPMYYW C44H54N8O11S 902.3633 NA PeJP NA NA +PJ073147 GMMMMFR C37H62N10O8S4 902.3635 NA PeJP NA NA +PJ073148 GCNMHRW C37H54N14O9S2 902.364 NA PeJP NA NA +PJ073149 PVDEEEW C40H54N8O16 902.3658 NA PeJP NA NA +PJ073150 GSSNDMHR C33H54N14O14S 902.3665 NA PeJP NA NA +PJ073151 ATTMMYW C41H58N8O11S2 902.3667 NA PeJP NA NA +PJ073152 SSSNHWW C41H50N12O12 902.3671 NA PeJP NA NA +PJ073153 GGSSSHWW C41H50N12O12 902.3672 NA PeJP NA NA +PJ073154 GPCCCKHR C34H58N14O9S3 902.3674 NA PeJP NA NA +PJ073155 SSSSLEMY C37H58N8O16S 902.3692 NA PeJP NA NA +PJ073156 AKEMMMY C38H62N8O11S3 902.37 NA PeJP NA NA +PJ073157 GGTLMMMY C38H62N8O11S3 902.3701 NA PeJP NA NA +PJ073158 SSQQMHW C38H54N12O12S 902.3705 NA PeJP NA NA +PJ073159 GGGGGGGAPMW C38H54N12O12S 902.3706 NA PeJP NA NA +PJ073160 PNDWWW C46H50N10O10 902.3712 NA PeJP NA NA +PJ073161 GSPNDEER C34H54N12O17 902.373 NA PeJP NA NA +PJ073162 GGGGGGGVQEE C34H54N12O17 902.3731 NA PeJP NA NA +PJ073163 GSSCCKRY C35H58N12O12S2 902.3739 NA PeJP NA NA +PJ073164 SDDHHHR C35H50N16O13 902.3744 NA PeJP NA NA +PJ073165 SPPCQWW C43H54N10O10S 902.3745 NA PeJP NA NA +PJ073166 GGPPTCWW C43H54N10O10S 902.3746 NA PeJP NA NA +PJ073167 YYWWW C51H50N8O8 902.3752 NA PeJP NA NA +PJ073168 TTTEEHW C39H54N10O15 902.377 NA PeJP NA NA +PJ073169 GGPTQEEW C39H54N10O15 902.3771 NA PeJP NA NA +PJ073170 GLEMMHW C40H58N10O10S2 902.3779 NA PeJP NA NA +PJ073171 GTEHHHW C40H50N14O11 902.3784 NA PeJP NA NA +PJ073172 AMFYWW C48H54N8O8S 902.3786 NA PeJP NA NA +PJ073173 SSSSNKMY C36H58N10O15S 902.3804 NA PeJP NA NA +PJ073174 DKEYYW C44H54N8O13 902.3811 NA PeJP NA NA +PJ073175 ATMMMRY C37H62N10O10S3 902.3813 NA PeJP NA NA +PJ073176 SSCQHRW C37H54N14O11S 902.3817 NA PeJP NA NA +PJ073177 GGSTCHRW C37H54N14O11S 902.3818 NA PeJP NA NA +PJ073178 AAMMFFW C45H58N8O8S2 902.3819 NA PeJP NA NA +PJ073179 NNHFWW C45H50N12O9 902.3824 NA PeJP NA NA +PJ073180 NNNQEER C33H54N14O16 902.3842 NA PeJP NA NA +PJ073181 SSSSNEHR C33H54N14O16 902.3843 NA PeJP NA NA +PJ073182 TTTTMYW C41H58N8O13S 902.3844 NA PeJP NA NA +PJ073183 GPPPEEMF C41H58N8O13S 902.3845 NA PeJP NA NA +PJ073184 TFFYYY C49H54N6O11 902.3851 NA PeJP NA NA +PJ073185 GGGGGCCKKH C34H58N14O11S2 902.3852 NA PeJP NA NA +PJ073186 PCKMMFF C42H62N8O8S3 902.3853 NA PeJP NA NA +PJ073187 GSCKHWW C42H54N12O9S 902.3858 NA PeJP NA NA +PJ073188 STTTTTEY C37H58N8O18 902.3869 NA PeJP NA NA +PJ073189 GPTLEEEE C37H58N8O18 902.387 NA PeJP NA NA +PJ073190 TTKEMMY C38H62N8O13S2 902.3878 NA PeJP NA NA +PJ073191 SPNDERW C38H54N12O14 902.3883 NA PeJP NA NA +PJ073192 CLKMMMF C39H66N8O8S4 902.3887 NA PeJP NA NA +PJ073193 ACQKMHW C39H58N12O9S2 902.3891 NA PeJP NA NA +PJ073194 PPCNMRW C39H58N12O9S2 902.3892 NA PeJP NA NA +PJ073195 PMHFWW C47H54N10O7S 902.3898 NA PeJP NA NA +PJ073196 SSPPCQER C35H58N12O14S 902.3916 NA PeJP NA NA +PJ073197 TTEEMHR C35H58N12O14S 902.3917 NA PeJP NA NA +PJ073198 GPTQEWW C43H54N10O12 902.3923 NA PeJP NA NA +PJ073199 CCCKKRY C36H62N12O9S3 902.3925 NA PeJP NA NA +PJ073200 GEMHHHR C36H54N16O10S 902.393 NA PeJP NA NA +PJ073201 LMMHWW C44H58N10O7S2 902.3932 NA PeJP NA NA +PJ073202 THHHWW C44H50N14O8 902.3936 NA PeJP NA NA +MJ097321 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(?3)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C46H62O18 902.393615 NA MeJP NA NA +PJ073203 NNNDDRR C32H54N16O15 902.3955 NA PeJP NA NA +PJ073204 STLEMHW C40H58N10O12S 902.3957 NA PeJP NA NA +PJ073205 SVYYWW C48H54N8O10 902.3963 NA PeJP NA NA +PJ073206 SCNMHRR C33H58N16O10S2 902.3964 NA PeJP NA NA +PJ073207 GVMHHHW C41H54N14O8S 902.397 NA PeJP NA NA +PJ073208 GSSSSSTKY C36H58N10O17 902.3982 NA PeJP NA NA +PJ073209 TTTMMRY C37H62N10O12S2 902.399 NA PeJP NA NA +PJ073210 VKEEMMH C37H62N10O12S2 902.3991 NA PeJP NA NA +PJ073211 GSSSSHRW C37H54N14O13 902.3995 NA PeJP NA NA +PJ073212 GGGGGGGGGGKW C37H54N14O13 902.3996 NA PeJP NA NA +PJ073213 LQMYYW C45H58N8O10S 902.3997 NA PeJP NA NA +PJ073214 ACCKHRW C38H58N14O8S2 902.4004 NA PeJP NA NA +PJ073215 AQHHHHH C38H50N18O9 902.4009 NA PeJP NA NA +PJ073216 PTLEEEW C41H58N8O15 902.4022 NA PeJP NA NA +PJ073217 PNDDMRR C34H58N14O13S 902.4029 NA PeJP NA NA +PJ073218 PPLEMMW C42H62N8O10S2 902.4031 NA PeJP NA NA +PJ073219 GSPDRWW C42H54N12O11 902.4035 NA PeJP NA NA +PJ073220 GGGGGVQWW C42H54N12O11 902.4036 NA PeJP NA NA +PJ073221 SSTTTLMY C38H62N8O15S 902.4056 NA PeJP NA NA +PJ073222 SLKMMMY C39H66N8O10S3 902.4064 NA PeJP NA NA +PJ073223 GPQEMRW C39H58N12O11S 902.4069 NA PeJP NA NA +PJ073224 PTQWWW C47H54N10O9 902.4076 NA PeJP NA NA +PJ073225 MHHHRW C40H54N16O7S 902.4083 NA PeJP NA NA +PJ073226 VNQEEER C35H58N12O16 902.4094 NA PeJP NA NA +PJ073227 SLEMMHR C36H62N12O11S2 902.4103 NA PeJP NA NA +PJ073228 STEHHHR C36H54N16O12 902.4107 NA PeJP NA NA +PJ073229 TTDHHHR C36H54N16O12 902.4108 NA PeJP NA NA +PJ073230 GPVQMWW C44H58N10O9S 902.4109 NA PeJP NA NA +PJ073231 AFFFWW C52H54N8O7 902.4116 NA PeJP NA NA +PJ073232 SPQKEEW C40H58N10O14 902.4134 NA PeJP NA NA +PJ073233 GGGVVVDDW C40H58N10O14 902.4135 NA PeJP NA NA +PJ073234 GSSTCHRR C33H58N16O12S 902.4141 NA PeJP NA NA +PJ073235 SVLMMHW C41H62N10O9S2 902.4143 NA PeJP NA NA +PJ073236 NNQRWW C41H54N14O10 902.4148 NA PeJP NA NA +PJ073237 SSSTCKKY C37H62N10O14S 902.4168 NA PeJP NA NA +PJ073238 GTTLYYW C45H58N8O12 902.4174 NA PeJP NA NA +PJ073239 PPVEEFW C45H58N8O12 902.4175 NA PeJP NA NA +PJ073240 CCKKKMY C38H66N10O9S3 902.4177 NA PeJP NA NA +PJ073241 APCDRRW C38H58N14O10S 902.4181 NA PeJP NA NA +PJ073242 GPCERRW C38H58N14O10S 902.4182 NA PeJP NA NA +PJ073243 VNDDERR C34H58N14O15 902.4206 NA PeJP NA NA +PJ073244 GQEEERR C34H58N14O15 902.4207 NA PeJP NA NA +PJ073245 PVLEEMW C42H62N8O12S 902.4208 NA PeJP NA NA +PJ073246 GSPPCMRR C35H62N14O10S2 902.4215 NA PeJP NA NA +PJ073247 PQMRWW C43H58N12O8S 902.4222 NA PeJP NA NA +PJ073248 AALLEEEE C38H62N8O17 902.4233 NA PeJP NA NA +PJ073249 SPPVLEMM C39H66N8O12S2 902.4242 NA PeJP NA NA +PJ073250 GVQEERW C39H58N12O13 902.4247 NA PeJP NA NA +PJ073251 ACKKMHW C40H62N12O8S2 902.4255 NA PeJP NA NA +PJ073252 GPNHHRW C40H54N16O9 902.426 NA PeJP NA NA +PJ073253 PNKEEMR C36H62N12O13S 902.428 NA PeJP NA NA +PJ073254 GGPKEEMR C36H62N12O13S 902.4281 NA PeJP NA NA +PJ073255 GPTKEWW C44H58N10O11 902.4287 NA PeJP NA NA +PJ073256 VVMMMHR C37H66N12O8S3 902.4289 NA PeJP NA NA +PJ073257 GCQHFRR C37H58N16O9S 902.4294 NA PeJP NA NA +MJ097322 Antibiotic L 687781 C47H66O17 902.43 NA MeJP NA NA +PJ073258 GDDERRR C33H58N16O14 902.4319 NA PeJP NA NA +PJ073259 ASLMRYY C41H62N10O11S 902.432 NA PeJP NA NA +PJ073260 PVNKEMW C41H62N10O11S 902.4321 NA PeJP NA NA +PJ073261 PKFYYW C49H58N8O9 902.4327 NA PeJP NA NA +PJ073262 TCCKHRR C34H62N16O9S2 902.4328 NA PeJP NA NA +PJ073263 PCRRWW C42H58N14O7S 902.4334 NA PeJP NA NA +PJ073264 SSSSPPTLQ C37H62N10O16 902.4345 NA PeJP NA NA +PJ073265 VLEEEER C37H62N10O16 902.4346 NA PeJP NA NA +PJ073266 GTTLLMMH C38H66N10O11S2 902.4354 NA PeJP NA NA +PJ073267 GGGGAPLLMM C38H66N10O11S2 902.4355 NA PeJP NA NA +PJ073268 QEERRW C38H58N14O12 902.4359 NA PeJP NA NA +PJ073269 LKMYYW C46H62N8O9S 902.4361 NA PeJP NA NA +PJ073270 AKHHHHH C39H54N18O8 902.4372 NA PeJP NA NA +PJ073271 VVLEEEW C42H62N8O14 902.4386 NA PeJP NA NA +PJ073272 SPQEMRR C35H62N14O12S 902.4393 NA PeJP NA NA +PJ073273 ALKMMFY C43H66N8O9S2 902.4394 NA PeJP NA NA +PJ073274 APPPLMMF C43H66N8O9S2 902.4395 NA PeJP NA NA +PJ073275 VQERWW C43H58N12O10 902.4399 NA PeJP NA NA +PJ073276 APTLLEEM C39H66N8O14S 902.442 NA PeJP NA NA +PJ073277 APPLLMMM C40H70N8O9S3 902.4428 NA PeJP NA NA +PJ073278 GPKEMRW C40H62N12O10S 902.4433 NA PeJP NA NA +PJ073279 PTKWWW C48H58N10O8 902.4439 NA PeJP NA NA +PJ073280 GGVLWWW C48H58N10O8 902.444 NA PeJP NA NA +PJ073281 VNKEEER C36H62N12O15 902.4458 NA PeJP NA NA +PJ073282 GSPPKMMR C37H66N12O10S2 902.4467 NA PeJP NA NA +PJ073283 DDRRRW C37H58N16O11 902.4471 NA PeJP NA NA +PJ073284 GGGGGTRRW C37H58N16O11 902.4472 NA PeJP NA NA +PJ073285 GPVKMWW C45H62N10O8S 902.4473 NA PeJP NA NA +PJ073286 SPKKEEW C41H62N10O13 902.4498 NA PeJP NA NA +PJ073287 SPCERRR C34H62N16O11S 902.4505 NA PeJP NA NA +PJ073288 CCKKKFF C42H66N10O8S2 902.4507 NA PeJP NA NA +MJ097323 3,24-Dihydroxyspirostan-6-one, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside], 24-O-?-D-glucopyranoside C44H70O19 902.45113 NA MeJP NA NA +MJ097324 3,27-Dihydroxyspirostan-6-one, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] C44H70O19 902.45113 NA MeJP NA NA +MJ097325 Spirost-5-ene-3,17,27-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C44H70O19 902.45113 NA MeJP NA NA +PJ073289 AERRWW C42H58N14O9 902.4512 NA PeJP NA NA +PJ073290 STTTLLMH C38H66N10O13S 902.4532 NA PeJP NA NA +PJ073291 PPVLEYW C46H62N8O11 902.4538 NA PeJP NA NA +PJ073292 GPPPLEFF C46H62N8O11 902.4539 NA PeJP NA NA +PJ073293 LLKMMMH C39H70N10O8S3 902.4541 NA PeJP NA NA +PJ073294 GPTMRRW C39H62N14O9S 902.4545 NA PeJP NA NA +PJ073295 GLRWWW C47H58N12O7 902.4552 NA PeJP NA NA +PJ073296 GKEEERR C35H62N14O14 902.457 NA PeJP NA NA +PJ073297 GGGGGSVKER C35H62N14O14 902.4571 NA PeJP NA NA +PJ073298 SVLKMYY C43H66N8O11S 902.4572 NA PeJP NA NA +PJ073299 PVNMMRR C36H66N14O9S2 902.4579 NA PeJP NA NA +PJ073300 SPNHHRR C36H58N18O10 902.4584 NA PeJP NA NA +PJ073301 PKMRWW C44H62N12O7S 902.4586 NA PeJP NA NA +PJ073302 GTLLLEEE C39H66N8O16 902.4597 NA PeJP NA NA +PJ073303 GPLLLEMM C40H70N8O11S2 902.4606 NA PeJP NA NA +PJ073304 SPTKERW C40H62N12O12 902.461 NA PeJP NA NA +PJ073305 GVKEERW C40H62N12O12 902.4611 NA PeJP NA NA +2641 synthetic fr,of human beta-CN (38-52) ACE inhibitor DKIYPSFQPQPLIYP 902.46145 MH2+ Inhouse_peptide NA peptide +PJ073306 GNNMRRR C33H62N18O10S 902.4617 NA PeJP NA NA +PJ073307 GGGNMRRR C33H62N18O10S 902.4618 NA PeJP NA NA +PJ073308 GLHHHFR C41H58N16O8 902.4624 NA PeJP NA NA +PJ073309 PDKKEMR C37H66N12O12S 902.4644 NA PeJP NA NA +PJ073310 GGGGGGGLLKM C37H66N12O12S 902.4645 NA PeJP NA NA +PJ073311 AALKEWW C45H62N10O10 902.4651 NA PeJP NA NA +PJ073312 GCKHFRR C38H62N16O8S 902.4658 NA PeJP NA NA +MJ097326 3,16,17-Trihydroxycholest-5-en-22-one, 16-O-[3,4-Dimethoxybenzoyl-(?2)-?-D-xylopyranosyl-(1?3)-2-O-acetyl-?-L-arabinopyranoside] C48H70O16 902.466386 NA MeJP NA NA +PJ073313 STQQQRR C34H62N16O13 902.4682 NA PeJP NA NA +PJ073314 GTEERRR C34H62N16O13 902.4683 NA PeJP NA NA +PJ073315 PTLQKMW C42H66N10O10S 902.4684 NA PeJP NA NA +PJ073316 PVDKKMW C42H66N10O10S 902.4685 NA PeJP NA NA +PJ073317 LKFFYW C50H62N8O8 902.4691 NA PeJP NA NA +PJ073318 LQKKEEE C38H66N10O15 902.4709 NA PeJP NA NA +PJ073319 GALKKEEE C38H66N10O15 902.471 NA PeJP NA NA +PJ073320 APPTKKMM C39H70N10O10S2 902.4718 NA PeJP NA NA +PJ073321 KEERRW C39H62N14O11 902.4723 NA PeJP NA NA +PJ073322 PPLLMFW C47H66N8O8S 902.4725 NA PeJP NA NA +PJ073323 TLLLEEW C43H66N8O13 902.475 NA PeJP NA NA +PJ073324 VNQQKMR C36H66N14O11S 902.4756 NA PeJP NA NA +PJ073325 SPKEMRR C36H66N14O11S 902.4757 NA PeJP NA NA +PJ073326 PLLLMMW C44H70N8O8S2 902.4758 NA PeJP NA NA +2611 synthetic peptide inhibitors of (PEP) IYPFPGPI 902.476 NA Inhouse_peptide NA peptide +PJ073327 VKERWW C44H62N12O9 902.4763 NA PeJP NA NA +PJ073328 VVVVLDEM C40H70N8O13S 902.4783 NA PeJP NA NA +PJ073329 GVLLLEEM C40H70N8O13S 902.4784 NA PeJP NA NA +PJ073330 SSNQRRR C33H62N18O12 902.4795 NA PeJP NA NA +PJ073331 SPVKMRW C41H66N12O9S 902.4797 NA PeJP NA NA +PJ073332 VVKWWW C49H62N10O7 902.4803 NA PeJP NA NA +PJ073333 VDKKEER C37H66N12O14 902.4822 NA PeJP NA NA +PJ073334 PLQKMMR C38H70N12O9S2 902.4831 NA PeJP NA NA +PJ073335 TERRRW C38H62N16O10 902.4835 NA PeJP NA NA +PJ073336 ALKKEEW C42H66N10O12 902.4862 NA PeJP NA NA +PJ073337 GVEMRRR C35H66N16O10S 902.4869 NA PeJP NA NA +C17470 Asparasaponin II C45H74O18 902.4875 NA KEGG NA NA +PJ073338 SLRRWW C43H62N14O8 902.4875 NA PeJP NA NA +MJ097327 3,26-Dihydroxycholest-5-ene-16,22-dione, 5,6-Dihydro, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H74O18 902.487515 NA MeJP NA NA +MJ097328 Furost-20(22)-ene-2,3,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H74O18 902.487515 NA MeJP NA NA +MJ097329 Furost-20(22)-ene-3,26-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside C45H74O18 902.487515 NA MeJP NA NA +MJ097330 Furost-20(22)-ene-3,26-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H74O18 902.487515 NA MeJP NA NA +MJ097331 Furost-25(27)-ene-1,3,22,26-tetrol, 22-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 26-O-?-D-glucopyranoside C45H74O18 902.487515 NA MeJP NA NA +MJ097332 Furost-4-ene-3,22,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H74O18 902.487515 NA MeJP NA NA +MJ097333 Furost-5-ene-3,22,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H74O18 902.487515 NA MeJP NA NA +MJ097334 Furost-5-ene-3,22,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H74O18 902.487515 NA MeJP NA NA +MJ097335 Furostane-3,6,22,26-tetrol, 3-Ketone, 22-Me ether, 6-O-[?-D-xylopyranosyl-(1?3)-6-deoxy-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H74O18 902.487515 NA MeJP NA NA +MJ097336 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-galactopyranoside] C45H74O18 902.487515 NA MeJP NA NA +MJ097337 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C45H74O18 902.487515 NA MeJP NA NA +MJ097338 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] C45H74O18 902.487515 NA MeJP NA NA +MJ097339 Spirostan-3-ol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] C45H74O18 902.487515 NA MeJP NA NA +MJ097340 Spirostan-3-ol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C45H74O18 902.487515 NA MeJP NA NA +MJ097341 Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C45H74O18 902.487515 NA MeJP NA NA +MJ097342 Spirostane-2,3-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-galactopyranoside] C45H74O18 902.487515 NA MeJP NA NA +MJ097343 Spirostane-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H74O18 902.487515 NA MeJP NA NA +PJ073339 AAPFRRW C43H62N14O8 902.4876 NA PeJP NA NA +PJ073340 LLLEEMR C39H70N10O12S 902.4896 NA PeJP NA NA +MJ097344 Dichotomin H C47H66N8O10 902.49019 NA MeJP NA NA +PJ073341 PVLLEFW C47H66N8O10 902.4902 NA PeJP NA NA +PJ073342 AALMRRW C40H66N14O8S 902.4909 NA PeJP NA NA +PJ073343 SVKEERR C36H66N14O13 902.4934 NA PeJP NA NA +PJ073344 VLLLEMW C44H70N8O10S 902.4936 NA PeJP NA NA +PJ073345 PCLKMRR C37H70N14O8S2 902.4943 NA PeJP NA NA +PJ073346 GLQHHRR C37H62N18O9 902.4948 NA PeJP NA NA +PJ073347 SSLLLLEE C40H70N8O15 902.4961 NA PeJP NA NA +PJ073348 SPVLLLMM C41H74N8O10S2 902.497 NA PeJP NA NA +PJ073349 ATLKERW C41H66N12O11 902.4974 NA PeJP NA NA +PJ073350 GGAKKKEW C41H66N12O11 902.4975 NA PeJP NA NA +PJ073351 EMRRRR C34H66N18O9S 902.4981 NA PeJP NA NA +PJ073352 VLQKEMR C38H70N12O11S 902.5008 NA PeJP NA NA +PJ073353 GTLLKWW C46H66N10O9 902.5015 NA PeJP NA NA +PJ073354 VMRRRW C39H66N16O7S 902.5022 NA PeJP NA NA +PJ073355 SNDKKRR C35H66N16O12 902.5046 NA PeJP NA NA +PJ073356 SSLERRR C35H66N16O12 902.5047 NA PeJP NA NA +PJ073357 PTLKKMW C43H70N10O9S 902.5048 NA PeJP NA NA +PJ073358 AAHHRRR C36H62N20O8 902.506 NA PeJP NA NA +PJ073359 LKKKEEE C39H70N10O14 902.5073 NA PeJP NA NA +PJ073360 GPVLKKMM C40H74N10O9S2 902.5082 NA PeJP NA NA +PJ073361 ATTLRRW C40H66N14O10 902.5087 NA PeJP NA NA +PJ073362 SPPTLLLY C44H70N8O12 902.5113 NA PeJP NA NA +PJ073363 GPVLLLEY C44H70N8O12 902.5114 NA PeJP NA NA +PJ073364 VVDKMRR C37H70N14O10S 902.512 NA PeJP NA NA +PJ073365 ALKEMRR C37H70N14O10S 902.5121 NA PeJP NA NA +PJ073366 QKKKWW C45H66N12O8 902.5127 NA PeJP NA NA +PJ073367 ATLLLLEM C41H74N8O12S 902.5147 NA PeJP NA NA +PJ073368 SSNKRRR C34H66N18O11 902.5159 NA PeJP NA NA +PJ073369 GLLKMRW C42H70N12O8S 902.5161 NA PeJP NA NA +PJ073370 TLKKEER C38H70N12O13 902.5186 NA PeJP NA NA +PJ073371 PLKKMMR C39H74N12O8S2 902.5194 NA PeJP NA NA +PJ073372 GPVRRRY C39H66N16O9 902.5199 NA PeJP NA NA +PJ073373 SLLKKEW C43H70N10O11 902.5226 NA PeJP NA NA +PJ073374 ATLMRRR C36H70N16O9S 902.5233 NA PeJP NA NA +MJ097345 3,6,16,22-Hopanetetrol, 3-O-[?-L-Arabinofuranosyl-(1?5)-?-L-arabinofuranosyl-(1?4)-?-D-glucopyranoside] C46H78O17 902.523901 NA MeJP NA NA +MJ097346 Antibiotic X 14868A; O5-De-Me C46H78O17 902.523901 NA MeJP NA NA +MJ097347 Cycloartane-1,3,7,24,25-pentol, 3-O-?-L-Rhamnopyranoside, 24-O-[?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] C46H78O17 902.523901 NA MeJP NA NA +PJ073375 AALLKKEM C40H74N10O11S 902.526 NA PeJP NA NA +PJ073376 PVLLLYW C48H70N8O9 902.5266 NA PeJP NA NA +PJ073377 TTLKERR C37H70N14O12 902.5298 NA PeJP NA NA +PJ073378 GPLLLLMF C45H74N8O9S 902.53 NA PeJP NA NA +PJ073379 PRRRRY C38H66N18O8 902.5311 NA PeJP NA NA +PJ073380 GLKHHRR C38H66N18O8 902.5312 NA PeJP NA NA +PJ073381 TTTLLLLE C41H74N8O14 902.5325 NA PeJP NA NA +MJ097348 Lycogaride C; 17',18'-Dihydro C57H74O9 902.533283 NA MeJP NA NA +PJ073382 GLLLLLMM C42H78N8O9S2 902.5334 NA PeJP NA NA +PJ073383 STLLKRW C42H70N12O10 902.5338 NA PeJP NA NA +PJ073384 GCKKRRR C35H70N18O8S 902.5345 NA PeJP NA NA +PJ073385 VLKKEMR C39H74N12O10S 902.5372 NA PeJP NA NA +PJ073386 PVVKKFW C47H70N10O8 902.5379 NA PeJP NA NA +PJ073387 TTTLRRR C36H70N16O11 902.541 NA PeJP NA NA +PJ073388 VVLKKMW C44H74N10O8S 902.5412 NA PeJP NA NA +PJ073389 ATTLLKKE C40H74N10O13 902.5437 NA PeJP NA NA +PJ073390 GTKKKRW C41H70N14O9 902.5451 NA PeJP NA NA +PJ073391 APTLLLLY C45H74N8O11 902.5477 NA PeJP NA NA +PJ073392 GVLLLLEF C45H74N8O11 902.5478 NA PeJP NA NA +PJ073393 SLLKMRR C38H74N14O9S 902.5484 NA PeJP NA NA +PJ073394 KKKKWW C46H70N12O7 902.5491 NA PeJP NA NA +PJ073395 STLLLLLM C42H78N8O11S 902.5511 NA PeJP NA NA +PJ073396 ATTTLLKR C39H74N12O12 902.5549 NA PeJP NA NA +PJ073397 SSSLLLKR C39H74N12O12 902.555 NA PeJP NA NA +PJ073398 GVLFRRR C40H70N16O8 902.5563 NA PeJP NA NA +PJ073399 AAPLLKKY C44H74N10O10 902.559 NA PeJP NA NA +PJ073400 GKKKMRR C37H74N16O8S 902.5597 NA PeJP NA NA +PJ073401 GTLLLKKM C41H78N10O10S 902.5624 NA PeJP NA NA +PJ073402 VLLLLFW C49H74N8O8 902.563 NA PeJP NA NA +PJ073403 SKKKKER C38H74N14O11 902.5662 NA PeJP NA NA +PJ073404 LFRRRR C39H70N18O7 902.5675 NA PeJP NA NA +PJ073405 SVKKKKW C43H74N12O9 902.5702 NA PeJP NA NA +MJ097349 Antibiotic SF 2748; Antibiotic SF 2748B C46H82N2O15 902.571519 NA MeJP NA NA +PJ073406 LQKKKKM C40H78N12O9S 902.5736 NA PeJP NA NA +PJ073407 STKKKRR C37H74N16O10 902.5774 NA PeJP NA NA +PJ073408 STTLLLKK C41H78N10O12 902.5801 NA PeJP NA NA +PJ073409 ALLKFRR C42H74N14O8 902.5814 NA PeJP NA NA +PJ073410 GVLLLLLY C46H78N8O10 902.5841 NA PeJP NA NA +PJ073411 CLKKKKR C39H78N14O8S 902.5848 NA PeJP NA NA +PJ073412 GTTLKKKK C40H78N12O11 902.5913 NA PeJP NA NA +C05798 Bacterio-pheophytins C56H78N4O6 902.5921 NA KEGG NA NA +C05799 Bacterio-chlorophylls C56H78N4O6 902.5921 NA KEGG NA NA +MJ097350 Bacterio-pheophytins C56H78N4O6 902.592136 NA MeJP NA NA +PJ073413 LLLLLRY C45H78N10O9 902.5954 NA PeJP NA NA +PJ073414 VLLKKFR C44H78N12O8 902.6066 NA PeJP NA NA +PJ073415 LKKKKKM C41H82N12O8S 902.61 NA PeJP NA NA +MJ097351 Bacterioruberin; 3''-O-Glucopyranoside C56H86O9 902.627184 NA MeJP NA NA +MJ097352 Glucolipsins; Glucolipsin B C49H90O14 902.633057 NA MeJP NA NA +MJ097353 Huratoxin; 5-Deoxy, 6,7-deepoxy, 6,7-didehydro, 20-tetracosanoyl C58H94O7 902.699955 NA MeJP NA NA +HMDB05392 TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C59H98O6 902.736328 NA HMDB2010 NA NA +HMDB05475 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C59H98O6 902.736328 NA HMDB2010 NA NA +HMDB10476 TG(18:2(9Z,12Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C59H98O6 902.736328 NA HMDB2010 NA NA +HMDB10483 TG(18:2(9Z,12Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C59H98O6 902.736328 NA HMDB2010 NA NA +HMDB10523 TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6] C59H98O6 902.736328 NA HMDB2010 NA NA +HMDB05392 TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C59H98O6 902.73633 http://www.hmdb.ca/metabolites/HMDB05392 HMDB NA NA +HMDB05475 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C59H98O6 902.73633 http://www.hmdb.ca/metabolites/HMDB05475 HMDB NA NA +HMDB05392 TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C59H98O6 902.73633 HMDB05392 PFEM_hmdb_metabocards_official NA NA +HMDB05475 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C59H98O6 902.73633 HMDB05475 PFEM_hmdb_metabocards_official NA NA +MJ097354 Polyprenol; Betulaprenol 13 C65H106O 902.824368 NA MeJP NA NA +5421 formaecin 2 GRPNPVNTKPTPYPRL 902.9859 MH2+ Inhouse_peptide NA peptide +PJ073416 CCCCNDDE C29H45N9O16S4 903.1868 NA PeJP NA NA +PJ073417 GCCCCDDW C33H45N9O13S4 903.202 NA PeJP NA NA +HMDB06258 2,6-Dimethylheptanoyl-CoA C30H48N7O17P3S 903.204041 NA HMDB2010 NA NA +PJ073418 GSSCCCDDD C29H45N9O18S3 903.2045 NA PeJP NA NA +PJ073419 GSPCCCCCE C30H49N9O13S5 903.2054 NA PeJP NA NA +PJ073420 CCCCNNNM C29H49N11O12S5 903.2166 NA PeJP NA NA +PJ073421 SPCCCCCW C34H49N9O10S5 903.2206 NA PeJP NA NA +PJ073422 SCCCNDEM C30H49N9O15S4 903.2231 NA PeJP NA NA +PJ073423 PCCCCNMM C31H53N9O10S6 903.224 NA PeJP NA NA +PJ073424 SCCCCDDR C29H49N11O14S4 903.2344 NA PeJP NA NA +PJ073425 GCCNDDDY C33H45N9O17S2 903.2375 NA PeJP NA NA +PJ073426 GSCCCDMW C34H49N9O12S4 903.2384 NA PeJP NA NA +PJ073427 GSSSCCDDM C30H49N9O17S3 903.2409 NA PeJP NA NA +PJ073428 GCCNDMMM C31H53N9O12S5 903.2418 NA PeJP NA NA +PJ073429 CCCCFYY C39H49N7O10S4 903.2424 NA PeJP NA NA +PJ073430 SSSSCCCNN C29H49N11O16S3 903.2521 NA PeJP NA NA +PJ073431 GCCCCEMR C30H53N11O11S5 903.253 NA PeJP NA NA +PJ073432 TCCCCWW C38H49N9O9S4 903.2536 NA PeJP NA NA +FL7AAAGL0060 Pelargonidin 3-O-[2-O-beta-D-glucopyranosyl-6-O-(E)-p-coumaroyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-glucosyl-6-p-coumarylglucoside)-5-glucoside;Pharbitis Red anthocyanin 7 C42H47O22 903.25589 30375-85-0 knapsack NA NA +FL7AACGA0012 Cyanidin 3-robinobioside-5-(6-p-coumarylglucoside) C42H47O22 903.25589 151677-00-8 knapsack NA NA +FL7AACGL0079 Cyananin C42H47O22 903.25589 135558-27-9 knapsack NA NA +C16292 Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside C42H47O22 903.2559 NA KEGG NA NA +PJ073433 SSSCCCEW C34H49N9O14S3 903.2561 NA PeJP NA NA +PJ073434 GGSPCCCDY C34H49N9O14S3 903.2562 NA PeJP NA NA +PJ073435 CCCQMMW C35H53N9O9S5 903.257 NA PeJP NA NA +PJ073436 SSSSSCCDE C30H49N9O19S2 903.2586 NA PeJP NA NA +PJ073437 SSCCNEMM C31H53N9O14S4 903.2595 NA PeJP NA NA +PJ073438 SCCCYYY C39H49N7O12S3 903.2602 NA PeJP NA NA +PJ073439 GCCCNMHH C32H49N13O10S4 903.2609 NA PeJP NA NA +PJ073440 DDDDMMY C35H49N7O17S2 903.2627 NA PeJP NA NA +PJ073441 GCNDDDEH C32H45N11O18S 903.2665 NA PeJP NA NA +PJ073442 DDMMMMM C33H57N7O12S5 903.2669 NA PeJP NA NA +PJ073443 GCCCNNQY C33H49N11O13S3 903.2674 NA PeJP NA NA +PJ073444 CCCCMRW C34H53N11O8S5 903.2683 NA PeJP NA NA +PJ073445 SSCCCDMR C30H53N11O13S4 903.2708 NA PeJP NA NA +PJ073446 CCCNEFW C38H49N9O11S3 903.2714 NA PeJP NA NA +PJ073447 GSCNDDMY C34H49N9O16S2 903.2739 NA PeJP NA NA +PJ073448 GSSCCMMW C35H53N9O11S4 903.2748 NA PeJP NA NA +PJ073449 DDDDDFY C38H45N7O19 903.2771 NA PeJP NA NA +PJ073450 GSSSSCDMM C31H53N9O16S3 903.2773 NA PeJP NA NA +PJ073451 GSCNMMMM C32H57N9O11S5 903.2781 NA PeJP NA NA +PJ073452 GGGSCMMMM C32H57N9O11S5 903.2782 NA PeJP NA NA +PJ073453 SSCCCQHH C32H49N13O12S3 903.2786 NA PeJP NA NA +PJ073454 DDDMMMF C36H53N7O14S3 903.2813 NA PeJP NA NA +PJ073455 CNDDDHW C36H45N11O15S 903.2818 NA PeJP NA NA +PJ073456 SSNDDDDH C32H45N11O20 903.2843 NA PeJP NA NA +PJ073457 SSCCNNNY C33H49N11O15S2 903.2851 NA PeJP NA NA +PJ073458 GGGGGGSSCCY C33H49N11O15S2 903.2852 NA PeJP NA NA +PJ073459 GPCCCCRY C34H53N11O10S4 903.286 NA PeJP NA NA +PJ073460 GCCCFWW C42H49N9O8S3 903.2867 NA PeJP NA NA +PJ073461 SCCNEYW C38H49N9O13S2 903.2892 NA PeJP NA NA +PJ073462 GTCCCMMR C31H57N11O10S5 903.2894 NA PeJP NA NA +PJ073463 SSSCNDEY C34H49N9O18S 903.2917 NA PeJP NA NA +PJ073464 SSSTCCMW C35H53N9O13S3 903.2925 NA PeJP NA NA +PJ073465 CCCKMMW C36H57N9O8S5 903.2934 NA PeJP NA NA +PJ073466 SSSSSSCEM C31H53N9O18S2 903.295 NA PeJP NA NA +PJ073467 PCDDEYY C39H49N7O16S 903.2957 NA PeJP NA NA +PJ073468 SSSCQMMM C32H57N9O13S4 903.2959 NA PeJP NA NA +PJ073469 GSSSSCCHH C32H49N13O14S2 903.2964 NA PeJP NA NA +PJ073470 ACCCCKHH C33H53N13O9S4 903.2973 NA PeJP NA NA +PJ073471 SDEEMMY C36H53N7O16S2 903.2991 NA PeJP NA NA +PJ073472 PCEMMMY C37H57N7O11S4 903.2999 NA PeJP NA NA +PJ073473 GSPCCDHW C37H49N11O12S2 903.3004 NA PeJP NA NA +PJ073474 GSNDDEMH C33H49N11O17S 903.3029 NA PeJP NA NA +PJ073475 TEMMMMM C34H61N7O11S5 903.3033 NA PeJP NA NA +PJ073476 CCNDMRY C34H53N11O12S3 903.3038 NA PeJP NA NA +PJ073477 GSCCYWW C42H49N9O10S2 903.3044 NA PeJP NA NA +PJ073478 CCMHHHH C35H49N15O8S3 903.3051 NA PeJP NA NA +PJ073479 GSSSCDYW C38H49N9O15S 903.3069 NA PeJP NA NA +PJ073480 SSSCCMMR C31H57N11O12S4 903.3071 NA PeJP NA NA +PJ073481 GCNMMYW C39H53N9O10S3 903.3078 NA PeJP NA NA +PJ073482 GSSSSSDDY C34H49N9O20 903.3094 NA PeJP NA NA +PJ073483 GSSNDMMY C35H53N9O15S2 903.3103 NA PeJP NA NA +PJ073484 DDDEHHH C35H45N13O16 903.3108 NA PeJP NA NA +PJ073485 CNQMMMF C36H57N9O10S4 903.3111 NA PeJP NA NA +PJ073486 GPCCCKMY C36H57N9O10S4 903.3112 NA PeJP NA NA +PJ073487 CCNNQHW C36H49N13O11S2 903.3116 NA PeJP NA NA +PJ073488 GGGGGACCHW C36H49N13O11S2 903.3117 NA PeJP NA NA +PJ073489 GDEEEYY C39H49N7O18 903.3134 NA PeJP NA NA +PJ073490 GSSSSSMMM C32H57N9O15S3 903.3137 NA PeJP NA NA +PJ073491 GSCDDDHR C32H49N13O16S 903.3141 NA PeJP NA NA +PJ073492 GGGGGGSSCEH C32H49N13O16S 903.3142 NA PeJP NA NA +PJ073493 PCDEMFY C40H53N7O13S2 903.3143 NA PeJP NA NA +PJ073494 GTCCKMMM C33H61N9O10S5 903.3145 NA PeJP NA NA +PJ073495 GPCCCEHR C33H53N13O11S3 903.315 NA PeJP NA NA +PJ073496 AEEMMMY C37H57N7O13S3 903.3177 NA PeJP NA NA +PJ073497 CNNNNYY C37H49N11O14S 903.3181 NA PeJP NA NA +PJ073498 SNDDMHW C37H49N11O14S 903.3182 NA PeJP NA NA +PJ073499 ACCCRYW C38H53N11O9S3 903.319 NA PeJP NA NA +PJ073500 SPNNNDDE C33H49N11O19 903.3206 NA PeJP NA NA +PJ073501 GPDDDDDR C33H49N11O19 903.3207 NA PeJP NA NA +PJ073502 GSSCCERY C34H53N11O14S2 903.3215 NA PeJP NA NA +PJ073503 GGGGGGPPCDM C34H53N11O14S2 903.3216 NA PeJP NA NA +PJ073504 VMMMMMM C35H65N7O8S6 903.3219 NA PeJP NA NA +PJ073505 GCNDFYW C42H49N9O12S 903.3222 NA PeJP NA NA +PJ073506 CCNMMFR C35H57N11O9S4 903.3224 NA PeJP NA NA +PJ073507 GPCCNHHH C35H49N15O10S2 903.3229 NA PeJP NA NA +PJ073508 PNDDEEW C38H49N9O17 903.3247 NA PeJP NA NA +PJ073509 SSCQMYW C39H53N9O12S2 903.3255 NA PeJP NA NA +PJ073510 SPPPCCDW C39H53N9O12S2 903.3256 NA PeJP NA NA +PJ073511 SSSSNEMY C35H53N9O17S 903.328 NA PeJP NA NA +PJ073512 TEEEEMH C35H53N9O17S 903.3281 NA PeJP NA NA +PJ073513 DEEYYW C43H49N7O15 903.3287 NA PeJP NA NA +PJ073514 SNQMMMY C36H57N9O12S3 903.3289 NA PeJP NA NA +PJ073515 GSSCNNHW C36H49N13O13S 903.3294 NA PeJP NA NA +PJ073516 PCCCHRW C37H53N13O8S3 903.3303 NA PeJP NA NA +PJ073517 SSSSSSTMM C32H57N9O17S2 903.3314 NA PeJP NA NA +PJ073518 GSSSSNNDH C32H49N13O18 903.3319 NA PeJP NA NA +PJ073519 SPDEMYY C40H53N7O15S 903.3321 NA PeJP NA NA +PJ073520 SSSCKMMM C33H61N9O12S4 903.3323 NA PeJP NA NA +PJ073521 CNDEMHR C33H53N13O13S2 903.3328 NA PeJP NA NA +PJ073522 PPCMMYY C41H57N7O10S3 903.3329 NA PeJP NA NA +PJ073523 GSCEHWW C41H49N11O11S 903.3334 NA PeJP NA NA +PJ073524 TTEEMMY C37H57N7O15S2 903.3354 NA PeJP NA NA +PJ073525 GSSSDEHW C37H49N11O16 903.3359 NA PeJP NA NA +PJ073526 PTMMMMY C38H61N7O10S4 903.3363 NA PeJP NA NA +PJ073527 SSCCRYW C38H53N11O11S2 903.3368 NA PeJP NA NA +PJ073528 SSSSCDRY C34H53N11O16S 903.3393 NA PeJP NA NA +PJ073529 GPDDEWW C42H49N9O14 903.3399 NA PeJP NA NA +PJ073530 SCNMMRY C35H57N11O11S3 903.3401 NA PeJP NA NA +PJ073531 GGSCMMRY C35H57N11O11S3 903.3402 NA PeJP NA NA +PJ073532 NNDMHHH C35H49N15O12S 903.3406 NA PeJP NA NA +PJ073533 GCNMFFW C43H53N9O9S2 903.3408 NA PeJP NA NA +PJ073534 SNNNNNNN C31H49N15O17 903.3431 NA PeJP NA NA +PJ073535 GGGGGGGGGGSNN C31H49N15O17 903.3432 NA PeJP NA NA +MJ097355 Amanitin; ?-Amanitin, Deoxy C39H53N9O14S 903.343268 NA MeJP NA NA +MJ097356 Amanitin; ?-Amanitin C39H53N9O14S 903.343268 NA MeJP NA NA +PJ073536 GSSSSMYW C39H53N9O14S 903.3433 NA PeJP NA NA +PJ073537 CCDDHRR C32H53N15O12S2 903.344 NA PeJP NA NA +PJ073538 ACCKMYW C40H57N9O9S3 903.3442 NA PeJP NA NA +PJ073539 GSSSSSTEY C35H53N9O19 903.3458 NA PeJP NA NA +PJ073540 GSSTQMMY C36H57N9O14S2 903.3467 NA PeJP NA NA +PJ073541 NNNNNEW C36H49N13O15 903.3471 NA PeJP NA NA +PJ073542 GGGGNNNEW C36H49N13O15 903.3472 NA PeJP NA NA +PJ073543 EEMFYW C44H53N7O12S 903.3473 NA PeJP NA NA +PJ073544 CNKMMMF C37H61N9O9S4 903.3475 NA PeJP NA NA +PJ073545 GGCKMMMF C37H61N9O9S4 903.3476 NA PeJP NA NA +PJ073546 GCDMHRW C37H53N13O10S2 903.348 NA PeJP NA NA +PJ073547 SCHWWW C45H49N11O8S 903.3487 NA PeJP NA NA +PJ073548 ATEEEYY C40H53N7O17 903.3498 NA PeJP NA NA +PJ073549 GSSDDMHR C33H53N13O15S 903.3505 NA PeJP NA NA +PJ073550 GGGGGGGGGGSPM C33H53N13O15S 903.3506 NA PeJP NA NA +PJ073551 APEMMYY C41H57N7O12S2 903.3507 NA PeJP NA NA +PJ073552 SSSDHWW C41H49N11O13 903.3512 NA PeJP NA NA +PJ073553 TCCCRRY C34H57N13O10S3 903.3514 NA PeJP NA NA +PJ073554 NMMHWW C42H53N11O8S2 903.352 NA PeJP NA NA +PJ073555 SLEMMMY C38H61N7O12S3 903.3541 NA PeJP NA NA +PJ073556 SSQEMHW C38H53N11O13S 903.3545 NA PeJP NA NA +PJ073557 GGGGPNEMW C38H53N11O13S 903.3546 NA PeJP NA NA +PJ073558 PDDWWW C46H49N9O11 903.3552 NA PeJP NA NA +PJ073559 PCCKMHW C39H57N11O8S3 903.3554 NA PeJP NA NA +PJ073560 GCQHHHW C39H49N15O9S 903.3559 NA PeJP NA NA +PJ073561 SSSTQEEH C34H53N11O18 903.357 NA PeJP NA NA +PJ073562 GSPDDEER C34H53N11O18 903.3571 NA PeJP NA NA +PJ073563 GSSTCMRY C35H57N11O13S2 903.3579 NA PeJP NA NA +PJ073564 GSSNEHHH C35H49N15O14 903.3584 NA PeJP NA NA +PJ073565 NQMYYW C43H53N9O11S 903.3585 NA PeJP NA NA +PJ073566 SPPCEWW C43H53N9O11S 903.3586 NA PeJP NA NA +PJ073567 SSSSSTYW C39H53N9O16 903.361 NA PeJP NA NA +PJ073568 SPQEEEW C39H53N9O16 903.3611 NA PeJP NA NA +PJ073569 SSSCNNHR C32H53N15O14S 903.3617 NA PeJP NA NA +PJ073570 GGSSSCNHR C32H53N15O14S 903.3618 NA PeJP NA NA +PJ073571 SSCKMYW C40H57N9O11S2 903.3619 NA PeJP NA NA +PJ073572 GNNNNWW C40H49N13O12 903.3624 NA PeJP NA NA +PJ073573 SSSSDKMY C36H57N9O16S 903.3644 NA PeJP NA NA +PJ073574 GGGPVEEEM C36H57N9O16S 903.3645 NA PeJP NA NA +PJ073575 SPPDYYY C44H53N7O14 903.3651 NA PeJP NA NA +PJ073576 SNKMMMY C37H61N9O11S3 903.3653 NA PeJP NA NA +PJ073577 SSCEHRW C37H53N13O12S 903.3658 NA PeJP NA NA +PJ073578 PPCMFFY C45H57N7O9S2 903.366 NA PeJP NA NA +PJ073579 NDHFWW C45H49N11O10 903.3664 NA PeJP NA NA +PJ073580 PCHHHHH C38H49N17O8S 903.3671 NA PeJP NA NA +PJ073581 SSSSDEHR C33H53N13O17 903.3683 NA PeJP NA NA +PJ073582 PTTEMYY C41H57N7O14S 903.3684 NA PeJP NA NA +PJ073583 GLEEMYY C41H57N7O14S 903.3685 NA PeJP NA NA +PJ073584 SNEMMHR C34H57N13O12S2 903.3691 NA PeJP NA NA +PJ073585 GGSEMMHR C34H57N13O12S2 903.3692 NA PeJP NA NA +PJ073586 PCLMMFY C42H61N7O9S3 903.3693 NA PeJP NA NA +PJ073587 GSTMHWW C42H53N11O10S 903.3698 NA PeJP NA NA +PJ073588 SPDDERW C38H53N11O15 903.3723 NA PeJP NA NA +PJ073589 VVMMMMY C39H65N7O9S4 903.3727 NA PeJP NA NA +PJ073590 PPCDMRW C39H57N11O10S2 903.3732 NA PeJP NA NA +PJ073591 SSNHHHW C39H49N15O11 903.3736 NA PeJP NA NA +PJ073592 GCHFFFF C47H53N9O8S 903.3738 NA PeJP NA NA +PJ073593 SSSSSMRY C35H57N11O15S 903.3757 NA PeJP NA NA +PJ073594 GPTEEWW C43H53N9O13 903.3763 NA PeJP NA NA +PJ073595 TCCKMRY C36H61N11O10S3 903.3765 NA PeJP NA NA +PJ073596 GGGALMMMH C36H61N11O10S3 903.3766 NA PeJP NA NA +PJ073597 CNNNHFR C36H53N15O11S 903.377 NA PeJP NA NA +PJ073598 GPPMMWW C44H57N9O8S2 903.3772 NA PeJP NA NA +PJ073599 NNDDDRR C32H53N15O16 903.3795 NA PeJP NA NA +PJ073600 PVNEEMW C40H57N9O13S 903.3797 NA PeJP NA NA +PJ073601 PEFYYW C48H53N7O11 903.3803 NA PeJP NA NA +PJ073602 SCDMHRR C33H57N15O11S2 903.3804 NA PeJP NA NA +PJ073603 PPCQHHW C41H53N13O9S 903.381 NA PeJP NA NA +PJ073604 SSSSSSSLY C36H57N9O18 903.3822 NA PeJP NA NA +PJ073605 GSSTKMMY C37H61N9O13S2 903.3831 NA PeJP NA NA +PJ073606 GNNEERW C37H53N13O14 903.3835 NA PeJP NA NA +PJ073607 GGGGGGNDKW C37H53N13O14 903.3836 NA PeJP NA NA +PJ073608 LEMYYW C45H57N7O11S 903.3837 NA PeJP NA NA +PJ073609 GSMMHRW C38H57N13O9S2 903.3844 NA PeJP NA NA +PJ073610 AEHHHHH C38H49N17O10 903.3849 NA PeJP NA NA +PJ073611 MHHFFW C46H53N11O7S 903.3851 NA PeJP NA NA +PJ073612 STLEEYY C41H57N7O16 903.3862 NA PeJP NA NA +PJ073613 PDDDMRR C34H57N13O14S 903.3869 NA PeJP NA NA +PJ073614 SPLMMYY C42H61N7O11S2 903.3871 NA PeJP NA NA +PJ073615 SSTTHWW C42H53N11O12 903.3875 NA PeJP NA NA +PJ073616 GAQQEWW C42H53N11O12 903.3876 NA PeJP NA NA +PJ073617 AQMMMHR C35H61N13O9S3 903.3878 NA PeJP NA NA +PJ073618 SCQHHHR C35H53N17O10S 903.3882 NA PeJP NA NA +PJ073619 GGTCHHHR C35H53N17O10S 903.3883 NA PeJP NA NA +PJ073620 GPEEMRW C39H57N11O12S 903.3909 NA PeJP NA NA +PJ073621 GGGGGGAPPMF C39H57N11O12S 903.391 NA PeJP NA NA +PJ073622 PTEWWW C47H53N9O10 903.3916 NA PeJP NA NA +PJ073623 GCKHHHW C40H53N15O8S 903.3923 NA PeJP NA NA +PJ073624 VNEEEER C35H57N11O17 903.3934 NA PeJP NA NA +PJ073625 GGGGAAKEEE C35H57N11O17 903.3935 NA PeJP NA NA +PJ073626 GSPPEMMR C36H61N11O12S2 903.3943 NA PeJP NA NA +PJ073627 SNNNNRW C36H53N15O13 903.3948 NA PeJP NA NA +PJ073628 APVDMWW C44H57N9O10S 903.3949 NA PeJP NA NA +PJ073629 GPVEMWW C44H57N9O10S 903.395 NA PeJP NA NA +PJ073630 ALQEEEW C40H57N9O15 903.3974 NA PeJP NA NA +PJ073631 SPKEEEW C40H57N9O15 903.3975 NA PeJP NA NA +PJ073632 GSPCNDRR C33H57N15O13S 903.3981 NA PeJP NA NA +PJ073633 GGGGGGQQMR C33H57N15O13S 903.3982 NA PeJP NA NA +PJ073634 PPDKMMW C41H61N9O10S2 903.3983 NA PeJP NA NA +PJ073635 NNERWW C41H53N13O11 903.3988 NA PeJP NA NA +PJ073636 ACMMHRR C34H61N15O8S3 903.399 NA PeJP NA NA +PJ073637 SSSTTKMY C37H61N9O15S 903.4008 NA PeJP NA NA +PJ073638 GPLEYYY C45H57N7O13 903.4015 NA PeJP NA NA +PJ073639 TCKKMMY C38H65N9O10S3 903.4017 NA PeJP NA NA +PJ073640 SSTMHRW C38H57N13O11S 903.4021 NA PeJP NA NA +PJ073641 GGSPNMRW C38H57N13O11S 903.4022 NA PeJP NA NA +PJ073642 PCLMFFF C46H61N7O8S2 903.4023 NA PeJP NA NA +PJ073643 AQQWWW C46H53N11O9 903.4028 NA PeJP NA NA +PJ073644 ASSSSSNKH C34H57N13O16 903.4046 NA PeJP NA NA +PJ073645 GEEEERR C34H57N13O16 903.4047 NA PeJP NA NA +PJ073646 SVLEMYY C42H61N7O13S 903.4048 NA PeJP NA NA +PJ073647 SDKMMHR C35H61N13O11S2 903.4055 NA PeJP NA NA +PJ073648 GGGGAAPMMR C35H61N13O11S2 903.4056 NA PeJP NA NA +PJ073649 VVMMMFF C43H65N7O8S3 903.4057 NA PeJP NA NA +PJ073650 GSSSHHHR C35H53N17O12 903.406 NA PeJP NA NA +PJ073651 PEMRWW C43H57N11O9S 903.4062 NA PeJP NA NA +PJ073652 GVEEERW C39H57N11O14 903.4087 NA PeJP NA NA +PJ073653 CNNNQRR C32H57N17O12S 903.4094 NA PeJP NA NA +PJ073654 SPPMMRW C40H61N11O9S2 903.4095 NA PeJP NA NA +PJ073655 GCKMFRY C40H61N11O9S2 903.4096 NA PeJP NA NA +PJ073656 GPDHHRW C40H53N15O10 903.41 NA PeJP NA NA +PJ073657 PVMWWW C48H57N9O7S 903.4102 NA PeJP NA NA +PJ073658 SSTTLQMH C36H61N11O14S 903.412 NA PeJP NA NA +PJ073659 PDKEEMR C36H61N11O14S 903.4121 NA PeJP NA NA +PJ073660 AALEEWW C44H57N9O12 903.4127 NA PeJP NA NA +PJ073661 AAPPMMMR C37H65N11O9S3 903.4129 NA PeJP NA NA +PJ073662 GCEHFRR C37H57N15O10S 903.4134 NA PeJP NA NA +PJ073663 GNRWWW C45H53N13O8 903.414 NA PeJP NA NA +PJ073664 GGGRWWW C45H53N13O8 903.4141 NA PeJP NA NA +PJ073665 SNNEERR C33H57N15O15 903.4159 NA PeJP NA NA +PJ073666 PVDKEMW C41H61N9O12S 903.4161 NA PeJP NA NA +PJ073667 PLYYYW C49H57N7O10 903.4167 NA PeJP NA NA +PJ073668 SSMMHRR C34H61N15O10S2 903.4168 NA PeJP NA NA +PJ073669 QMHFRW C42H57N13O8S 903.4174 NA PeJP NA NA +PJ073670 LQKEEEE C37H61N9O17 903.4186 NA PeJP NA NA +PJ073671 SPPTLQMM C38H65N9O12S2 903.4194 NA PeJP NA NA +PJ073672 APPTKEMM C38H65N9O12S2 903.4195 NA PeJP NA NA +PJ073673 EEERRW C38H57N13O13 903.4199 NA PeJP NA NA +PJ073674 GGGGGGGGGPKF C38H57N13O13 903.42 NA PeJP NA NA +PJ073675 APLMFYY C46H61N7O10S 903.4201 NA PeJP NA NA +PJ073676 VLMMHHH C39H61N13O8S2 903.4208 NA PeJP NA NA +PJ073677 GNHHHFR C39H53N17O9 903.4213 NA PeJP NA NA +PJ073678 SPEEMRR C35H61N13O13S 903.4233 NA PeJP NA NA +PJ073679 ALLMMYY C43H65N7O10S2 903.4235 NA PeJP NA NA +PJ073680 VEERWW C43H57N11O11 903.4239 NA PeJP NA NA +PJ073681 GGAAKEWW C43H57N11O11 903.424 NA PeJP NA NA +PJ073682 AKMMMHR C36H65N13O8S3 903.4242 NA PeJP NA NA +PJ073683 SCKHHHR C36H57N17O9S 903.4246 NA PeJP NA NA +MJ097357 Wedeloside; 4'-O-L-Rhamnopyranosyl C46H65NO17 903.425249 NA MeJP NA NA +PJ073684 GSSNNNRR C32H57N17O14 903.4271 NA PeJP NA NA +PJ073685 GGGGGGGSSRR C32H57N17O14 903.4272 NA PeJP NA NA +PJ073686 SPVEMRW C40H61N11O11S 903.4273 NA PeJP NA NA +PJ073687 VVEWWW C48H57N9O9 903.428 NA PeJP NA NA +PJ073688 CHFRRW C41H57N15O7S 903.4287 NA PeJP NA NA +PJ073689 VDKEEER C36H61N11O16 903.4298 NA PeJP NA NA +MJ097358 Sperm activating peptide; Sperm activating peptide C C37H65N11O11S2 903.430643 NA MeJP NA NA +PJ073690 PLQEMMR C37H65N11O11S2 903.4307 NA PeJP NA NA +PJ073691 ASDHRRY C37H57N15O12 903.4311 NA PeJP NA NA +PJ073692 GSNERRW C37H57N15O12 903.4312 NA PeJP NA NA +PJ073693 APTLMWW C45H61N9O9S 903.4313 NA PeJP NA NA +PJ073694 ALKEEEW C41H61N9O14 903.4338 NA PeJP NA NA +PJ073695 GGGPLLDEF C41H61N9O14 903.4339 NA PeJP NA NA +PJ073696 GQQEMRR C34H61N15O12S 903.4345 NA PeJP NA NA +PJ073697 GGGGGGGAKMR C34H61N15O12S 903.4346 NA PeJP NA NA +PJ073698 PVLQMMW C42H65N9O9S2 903.4347 NA PeJP NA NA +PJ073699 NDKRWW C42H57N13O10 903.4352 NA PeJP NA NA +PJ073700 GPTLKEEM C38H65N9O14S 903.4372 NA PeJP NA NA +PJ073701 SPVLYYY C46H61N7O12 903.4378 NA PeJP NA NA +MJ097359 Dolastatin 13; 14,15-Didehydro C46H61N7O12 903.43782 NA MeJP NA NA +PJ073702 GLLEFYY C46H61N7O12 903.4379 NA PeJP NA NA +PJ073703 GPPLKMMM C39H69N9O9S3 903.4381 NA PeJP NA NA +PJ073704 GVQQMRW C39H61N13O10S 903.4385 NA PeJP NA NA +PJ073705 GGGLQMRW C39H61N13O10S 903.4386 NA PeJP NA NA +PJ073706 AQKWWW C47H57N11O8 903.4392 NA PeJP NA NA +PJ073707 SVEEERR C35H61N13O15 903.441 NA PeJP NA NA +PJ073708 AASNKEER C35H61N13O15 903.4411 NA PeJP NA NA +PJ073709 TTLLMYY C43H65N7O12S 903.4412 NA PeJP NA NA +PJ073710 PVDMMRR C36H65N13O10S2 903.4419 NA PeJP NA NA +PJ073711 SPDHHRR C36H57N17O11 903.4424 NA PeJP NA NA +PJ073712 GPCKKWW C44H61N11O8S 903.4426 NA PeJP NA NA +PJ073713 ATLEERW C40H61N11O13 903.4451 NA PeJP NA NA +PJ073714 GNDMRRR C33H61N17O11S 903.4458 NA PeJP NA NA +PJ073715 APLMMRW C41H65N11O8S2 903.4459 NA PeJP NA NA +PJ073716 SNRRWW C41H57N15O9 903.4464 NA PeJP NA NA +PJ073717 VLQEEMR C37H65N11O13S 903.4484 NA PeJP NA NA +PJ073718 GGLLEEMR C37H65N11O13S 903.4485 NA PeJP NA NA +PJ073719 GTLLEWW C45H61N9O11 903.4491 NA PeJP NA NA +PJ073720 VKKMMMH C38H69N11O8S3 903.4493 NA PeJP NA NA +PJ073721 QQMRRW C38H61N15O9S 903.4498 NA PeJP NA NA +PJ073722 SNDKERR C34H61N15O14 903.4523 NA PeJP NA NA +PJ073723 ATKKMYY C42H65N9O11S 903.4524 NA PeJP NA NA +PJ073724 PTLKEMW C42H65N9O11S 903.4525 NA PeJP NA NA +PJ073725 LLFYYW C50H61N7O9 903.4531 NA PeJP NA NA +PJ073726 PCNKMRR C35H65N15O9S2 903.4532 NA PeJP NA NA +PJ073727 GNQHHRR C35H57N19O10 903.4536 NA PeJP NA NA +PJ073728 KMHFRW C43H61N13O7S 903.4538 NA PeJP NA NA +PJ073729 LKKEEEE C38H65N9O16 903.455 NA PeJP NA NA +PJ073730 GPVLKEMM C39H69N9O11S2 903.4558 NA PeJP NA NA +PJ073731 GTQKERW C39H61N13O12 903.4563 NA PeJP NA NA +PJ073732 ALLMFFY C47H65N7O9S 903.4565 NA PeJP NA NA +PJ073733 ALEEMRR C36H65N13O12S 903.4597 NA PeJP NA NA +MJ097360 9-Desarginylbradykinin C44H61N11O10 903.460287 NA MeJP NA NA +PJ073734 QKKEWW C44H61N11O10 903.4603 NA PeJP NA NA +PJ073735 CQRRRW C37H61N17O8S 903.461 NA PeJP NA NA +PJ073736 SSNERRR C33H61N17O13 903.4635 NA PeJP NA NA +PJ073737 GLLEMRW C41H65N11O10S 903.4637 NA PeJP NA NA +PJ073738 TLLWWW C49H61N9O8 903.4643 NA PeJP NA NA +MJ097361 N-Benzoyl-L-alanyl-L-alanyl-D-tryptophyl-L-phenylalanyl-D-prolyl-L-prolyl-L-norleucinamide C49H61N9O8 903.464309 NA MeJP NA NA +PJ073739 GPVLFWW C49H61N9O8 903.4644 NA PeJP NA NA +PJ073740 TLKEEER C37H65N11O15 903.4662 NA PeJP NA NA +PJ073741 PLKEMMR C38H69N11O10S2 903.4671 NA PeJP NA NA +PJ073742 GSDKRRW C38H61N15O11 903.4675 NA PeJP NA NA +PJ073743 GGGAAPRRY C38H61N15O11 903.4676 NA PeJP NA NA +PJ073744 GVLLMWW C46H65N9O8S 903.4677 NA PeJP NA NA +PJ073745 SLLKEEW C42H65N9O13 903.4702 NA PeJP NA NA +PJ073746 GQKEMRR C35H65N15O11S 903.4709 NA PeJP NA NA +PJ073747 PVLKMMW C43H69N9O8S2 903.4711 NA PeJP NA NA +PJ073748 TQKRWW C43H61N13O9 903.4716 NA PeJP NA NA +PJ073749 AALLKEEM C39H69N9O13S 903.4736 NA PeJP NA NA +PJ073750 GLLLYYY C47H65N7O11 903.4742 NA PeJP NA NA +PJ073751 GVQKMRW C40H65N13O9S 903.4749 NA PeJP NA NA +PJ073752 AKKWWW C48H61N11O7 903.4756 NA PeJP NA NA +PJ073753 TTLEERR C36H65N13O14 903.4774 NA PeJP NA NA +PJ073754 GGGGGSKKKE C36H65N13O14 903.4775 NA PeJP NA NA +PJ073755 PTLMMRR C37H69N13O9S2 903.4783 NA PeJP NA NA +PJ073756 GSSRRRW C37H61N17O10 903.4788 NA PeJP NA NA +PJ073757 LLMRWW C45H65N11O7S 903.479 NA PeJP NA NA +PJ073758 STLLERW C41H65N11O12 903.4814 NA PeJP NA NA +PJ073759 TTLLDRW C41H65N11O12 903.4815 NA PeJP NA NA +PJ073760 GTQMRRR C34H65N17O10S 903.4821 NA PeJP NA NA +PJ073761 GGATMRRR C34H65N17O10S 903.4822 NA PeJP NA NA +PJ073762 GVLHHRW C42H61N15O8 903.4828 NA PeJP NA NA +PJ073763 VLKEEMR C38H69N11O12S 903.4848 NA PeJP NA NA +PJ073764 SSLLLWW C46H65N9O10 903.4855 NA PeJP NA NA +PJ073765 QKMRRW C39H65N15O8S 903.4862 NA PeJP NA NA +PJ073766 STQKERR C35H65N15O13 903.4887 NA PeJP NA NA +PJ073767 TLLLQMW C43H69N9O10S 903.4888 NA PeJP NA NA +PJ073768 VVLKEMW C43H69N9O10S 903.4889 NA PeJP NA NA +PJ073769 ALLFFFF C51H65N7O8 903.4895 NA PeJP NA NA +PJ073770 GNKHHRR C36H61N19O9 903.49 NA PeJP NA NA +PJ073771 SSVLLKEE C39H69N9O15 903.4913 NA PeJP NA NA +PJ073772 ATTLLKEE C39H69N9O15 903.4914 NA PeJP NA NA +PJ073773 APTLLKMM C40H73N9O10S2 903.4922 NA PeJP NA NA +PJ073774 GTKKERW C40H65N13O11 903.4927 NA PeJP NA NA +PJ073775 GTCRRRR C33H65N19O9S 903.4934 NA PeJP NA NA +PJ073776 LHHRRW C41H61N17O7 903.494 NA PeJP NA NA +PJ073777 SLLEMRR C37H69N13O11S 903.4961 NA PeJP NA NA +PJ073778 KKKEWW C45H65N11O9 903.4967 NA PeJP NA NA +PJ073779 CKRRRW C38H65N17O7S 903.4974 NA PeJP NA NA +PJ073780 SSDKRRR C34H65N17O12 903.4999 NA PeJP NA NA +PJ073781 SVLLMRW C42H69N11O9S 903.5001 NA PeJP NA NA +PJ073782 SSSLLLER C38H69N11O14 903.5026 NA PeJP NA NA +PJ073783 LLLQMMR C39H73N11O9S2 903.5035 NA PeJP NA NA +PJ073784 GTTKRRW C39H65N15O10 903.5039 NA PeJP NA NA +PJ073785 GTTTLLLW C43H69N9O12 903.5066 NA PeJP NA NA +PJ073786 GKKEMRR C36H69N15O10S 903.5073 NA PeJP NA NA +PJ073787 TKKRWW C44H65N13O8 903.5079 NA PeJP NA NA +PJ073788 PPVLHRW C44H65N13O8 903.508 NA PeJP NA NA +PJ073789 GTLLLKEM C40H73N9O12S 903.51 NA PeJP NA NA +PJ073790 SSSRRRR C33H65N19O11 903.5111 NA PeJP NA NA +PJ073791 GVKKMRW C41H69N13O8S 903.5113 NA PeJP NA NA +PJ073792 SKKKEER C37H69N13O13 903.5138 NA PeJP NA NA +PJ073793 VVLMMRR C38H73N13O8S2 903.5147 NA PeJP NA NA +PJ073794 AAQFRRR C38H65N17O9 903.5152 NA PeJP NA NA +MJ097362 Patellazole A; 36-Hydroxy C49H77NO12S 903.516647 NA MeJP NA NA +PJ073795 SVKKKEW C42H69N11O11 903.5178 NA PeJP NA NA +PJ073796 GGAAPLKKY C42H69N11O11 903.5179 NA PeJP NA NA +PJ073797 GTKMRRR C35H69N17O9S 903.5185 NA PeJP NA NA +MJ097363 Tylosin; 20-Alcohol, 3C-O-de-Me C45H77NO17 903.51915 NA MeJP NA NA +PJ073798 GTTLLLMR C39H73N11O11S 903.5212 NA PeJP NA NA +MJ097364 Hymenamide H C47H69N9O9 903.521824 NA MeJP NA NA +MJ097365 Phakellistatin 10 C47H69N9O9 903.521824 NA MeJP NA NA +PJ073799 PVVLKYW C47H69N9O9 903.5219 NA PeJP NA NA +PJ073800 KKMRRW C40H69N15O7S 903.5226 NA PeJP NA NA +PJ073801 ASSSLKRR C36H69N15O12 903.525 NA PeJP NA NA +PJ073802 STKKERR C36H69N15O12 903.5251 NA PeJP NA NA +PJ073803 TLLLKMW C44H73N9O9S 903.5252 NA PeJP NA NA +PJ073804 NFRRRR C37H65N19O8 903.5264 NA PeJP NA NA +PJ073805 STTLLLKE C40H73N9O14 903.5277 NA PeJP NA NA +PJ073806 GVLLLKMM C41H77N9O9S2 903.5286 NA PeJP NA NA +PJ073807 SSLKKRW C41H69N13O10 903.5291 NA PeJP NA NA +PJ073808 TLQKKMR C38H73N13O10S 903.5324 NA PeJP NA NA +PJ073809 VDKKKMR C38H73N13O10S 903.5325 NA PeJP NA NA +PJ073810 GLLLFRW C46H69N11O8 903.5331 NA PeJP NA NA +PJ073811 STTKRRR C35H69N17O11 903.5363 NA PeJP NA NA +PJ073812 ALKKKMW C43H73N11O8S 903.5365 NA PeJP NA NA +PJ073813 STTTLLLR C39H73N11O13 903.539 NA PeJP NA NA +PJ073814 LLLKMMR C40H77N11O8S2 903.5398 NA PeJP NA NA +MJ097366 Moldcidin A C42H81NO19 903.540279 NA MeJP NA NA +PJ073815 GPKKRRY C40H69N15O9 903.5403 NA PeJP NA NA +MJ097367 Antibiotic KT 6291; Antibiotic KT 6291B C44H73N9O11 903.542954 NA MeJP NA NA +PJ073816 GPTLLLKY C44H73N9O11 903.543 NA PeJP NA NA +PJ073817 SVKKMRR C37H73N15O9S 903.5437 NA PeJP NA NA +PJ073818 SSLLLLKM C41H77N9O11S 903.5464 NA PeJP NA NA +PJ073819 GTTTLKKR C38H73N13O12 903.5502 NA PeJP NA NA +PJ073820 AKKKHHR C39H69N17O8 903.5515 NA PeJP NA NA +PJ073821 AAKFRRR C39H69N17O8 903.5516 NA PeJP NA NA +PJ073822 TTLKKKW C43H73N11O10 903.5542 NA PeJP NA NA +PJ073823 LKKKKEM C40H77N11O10S 903.5576 NA PeJP NA NA +PJ073824 VVLLKFW C48H73N9O8 903.5582 NA PeJP NA NA +PJ073825 ALLLRRY C42H73N13O9 903.5655 NA PeJP NA NA +PJ073826 TLKKKMR C39H77N13O9S 903.5688 NA PeJP NA NA +PJ073827 SSTLLKKK C40H77N11O12 903.5753 NA PeJP NA NA +PJ073828 SSTILKKK C40H77N11O12 903.5754 NA PeJP NA NA +PJ073829 GLKKFRR C41H73N15O8 903.5767 NA PeJP NA NA +PJ073830 AALLLLKY C45H77N9O10 903.5794 NA PeJP NA NA +PJ073831 GSTKKKKK C39H77N13O11 903.5866 NA PeJP NA NA +PJ073832 VLLLKRY C44H77N11O9 903.5906 NA PeJP NA NA +PJ073833 VVKKKFR C43H77N13O8 903.6018 NA PeJP NA NA +PJ073834 LLKKKKF C45H81N11O8 903.627 NA PeJP NA NA +2889 NA FGGFTGARKSARKLANQ 903.98195 MH2+ Inhouse_peptide NA peptide +7857 NA FGGFTGARKSARKLANQ 903.98195 MH2+ Inhouse_peptide NA peptide +MJ097368 Acutissimin C C42H32O23 904.133437 NA MeJP NA NA +MetaCyc04281 2-amino-5-oxocyclohex-1-enecarboxyl-CoA [] C28H43N8O18P3S1 904.162887 NA metacyc NA NA +C05165 2-Amino-5-oxocyclohex-1-enecarbonyl-CoA C28H43N8O18P3S 904.1629 NA KEGG NA NA +C05167 alpha-Amino acid C2H4NO2R 904.1629 NA KEGG NA NA +C05169 Protein aspartate C5H6N2O4R2 904.1629 NA KEGG NA NA +PJ073835 CCCCCCMH C29H48N10O9S7 904.1651 NA PeJP NA NA +PJ073836 CCCCDDDE C29H44N8O17S4 904.1708 NA PeJP NA NA +PJ073837 GPCCCCCCN C29H48N10O11S6 904.1829 NA PeJP NA NA +MJ097369 Arachnitannin 1; 3',3'',3'''-Trihydroxy C47H36O19 904.185078 NA MeJP NA NA +PJ073838 CCCCNNDM C29H48N10O13S5 904.2006 NA PeJP NA NA +PJ073839 SCCCDDEM C30H48N8O16S4 904.2072 NA PeJP NA NA +PJ073840 PCCCCDMM C31H52N8O11S6 904.208 NA PeJP NA NA +PJ073841 GCCCCCQW C33H48N10O10S5 904.2159 NA PeJP NA NA +PJ073842 GSSCCCCNE C29H48N10O15S4 904.2184 NA PeJP NA NA +PJ073843 GCCDDDDY C33H44N8O18S2 904.2215 NA PeJP NA NA +PJ073844 PCCCCDDF C34H48N8O13S4 904.2224 NA PeJP NA NA +PJ073845 GCCDDMMM C31H52N8O13S5 904.2258 NA PeJP NA NA +PJ073846 PCCCCCHH C32H48N12O9S5 904.2271 NA PeJP NA NA +FL5FACGL0070 Quercetin 3-(2'''-p-coumarylsambubioside)-7-glucoside C41H44O23 904.22733 162556-37-8 knapsack NA NA +FL5FACGS0115 Calabricoside B;Quercetin 3-(4'''-caffeoylrhamnosyl)-(1->2)-alpha-L-arabinopyranoside-7-glucoside;3-[[2-O-[6-Deoxy-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]-alpha-L-arabinopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one C41H44O23 904.22733 356518-10-0 knapsack NA NA +MJ097370 Quercimeritrin; 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?4)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C41H44O23 904.227337 NA MeJP NA NA +PJ073847 SSCCCCNW C33H48N10O12S4 904.2336 NA PeJP NA NA +PJ073848 SSSSCCCND C29H48N10O17S3 904.2361 NA PeJP NA NA +PJ073849 SCCCNNMM C30H52N10O12S5 904.237 NA PeJP NA NA +PJ073850 SPCCCDDY C34H48N8O15S3 904.2402 NA PeJP NA NA +PJ073851 CCCEMMW C35H52N8O10S5 904.241 NA PeJP NA NA +PJ073852 SSCCDEMM C31H52N8O15S4 904.2435 NA PeJP NA NA +PJ073853 SPCCCMMM C32H56N8O10S6 904.2444 NA PeJP NA NA +PJ073854 GCCCDMHH C32H48N12O11S4 904.2449 NA PeJP NA NA +PJ073855 SCCCCCQR C29H52N12O11S5 904.2482 NA PeJP NA NA +PJ073856 GGTCCCCCR C29H52N12O11S5 904.2483 NA PeJP NA NA +MJ097371 Rutin; 7-O-[Xylosyl-(1??)-glucoside] C38H48O25 904.248467 NA MeJP NA NA +PJ073857 GCDDDDEH C32H44N10O19S 904.2505 NA PeJP NA NA +PJ073858 GCCCNNEY C33H48N10O14S3 904.2514 NA PeJP NA NA +MJ097372 Davidiol C C56H40O12 904.251976 NA MeJP NA NA +MJ097373 Kobophenol B C56H40O12 904.251976 NA MeJP NA NA +MJ097374 Miyabenol B C56H40O12 904.251976 NA MeJP NA NA +MJ097375 Stenophyllol A C56H40O12 904.251976 NA MeJP NA NA +MJ097376 Vitisin A; 7''',8'''-Didehydro C56H40O12 904.251976 NA MeJP NA NA +MJ097377 Vitisin B; 2''',3'''-Didehydro C56H40O12 904.251976 NA MeJP NA NA +PJ073859 GCCCCCKW C34H52N10O9S5 904.2523 NA PeJP NA NA +PJ073860 GSSSCCCQM C30H52N10O14S4 904.2548 NA PeJP NA NA +PJ073861 CCCDEFW C38H48N8O12S3 904.2554 NA PeJP NA NA +PJ073862 GSCDDDMY C34H48N8O17S2 904.2579 NA PeJP NA NA +PJ073863 GPCCCEMY C35H52N8O12S4 904.2588 NA PeJP NA NA +PJ073864 GSCDMMMM C32H56N8O12S5 904.2622 NA PeJP NA NA +PJ073865 SSCCCEHH C32H48N12O13S3 904.2626 NA PeJP NA NA +PJ073866 GGGGPCCCDH C32H48N12O13S3 904.2627 NA PeJP NA NA +PJ073867 CDDDDHW C36H44N10O16S 904.2658 NA PeJP NA NA +PJ073868 GSSSCCCCR C29H52N12O13S4 904.266 NA PeJP NA NA +PJ073869 CCCNNYW C37H48N10O11S3 904.2666 NA PeJP NA NA +PJ073870 GGCCCNYW C37H48N10O11S3 904.2667 NA PeJP NA NA +PJ073871 SSDDDDDH C32H44N10O21 904.2683 NA PeJP NA NA +PJ073872 SSCCNNDY C33H48N10O16S2 904.2691 NA PeJP NA NA +PJ073873 GGSSCCNDY C33H48N10O16S2 904.2692 NA PeJP NA NA +PJ073874 GCCCNQMF C34H52N10O11S4 904.27 NA PeJP NA NA +PJ073875 SSSSSCCNM C30H52N10O16S3 904.2725 NA PeJP NA NA +PJ073876 SCCDEYW C38H48N8O14S2 904.2732 NA PeJP NA NA +PJ073877 SCCCCQKM C31H56N10O11S5 904.2734 NA PeJP NA NA +PJ073878 PCCCMYW C39H52N8O9S4 904.274 NA PeJP NA NA +PJ073879 SSSCDDEY C34H48N8O19S 904.2757 NA PeJP NA NA +PJ073880 CNDEMMY C35H52N8O14S3 904.2765 NA PeJP NA NA +PJ073881 GGCDEMMY C35H52N8O14S3 904.2766 NA PeJP NA NA +PJ073882 TCCMMMW C36H56N8O9S5 904.2774 NA PeJP NA NA +PJ073883 SSSCEMMM C32H56N8O14S4 904.2799 NA PeJP NA NA +PJ073884 GCNNDDMH C32H48N12O15S2 904.2804 NA PeJP NA NA +PJ073885 CQMMMMM C33H60N8O9S6 904.2808 NA PeJP NA NA +PJ073886 GCCCCNFR C33H52N12O10S4 904.2813 NA PeJP NA NA +PJ073887 SCCCCCKR C30H56N12O10S5 904.2846 NA PeJP NA NA +MJ097378 4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], diglucoside C39H52O24 904.284852 NA MeJP NA NA +PJ073888 GSDDDEMH C33H48N10O18S 904.2869 NA PeJP NA NA +PJ073889 CCDDMRY C34H52N10O13S3 904.2878 NA PeJP NA NA +PJ073890 GSSSSSSTCC C30H52N10O18S2 904.2903 NA PeJP NA NA +PJ073891 CNDDEFY C38H48N8O16S 904.2909 NA PeJP NA NA +PJ073892 GSTTCCCCK C31H56N10O13S4 904.2911 NA PeJP NA NA +PJ073893 GSSSCCCKM C31H56N10O13S4 904.2912 NA PeJP NA NA +PJ073894 SCCNNNNH C31H48N14O14S2 904.2916 NA PeJP NA NA +PJ073895 GGGGGGGGSCCH C31H48N14O14S2 904.2917 NA PeJP NA NA +PJ073896 GCDMMYW C39H52N8O11S3 904.2918 NA PeJP NA NA +PJ073897 CCMMMMR C32H60N10O8S6 904.292 NA PeJP NA NA +PJ073898 GPDDDEEE C34H48N8O21 904.2934 NA PeJP NA NA +PJ073899 PVDDDDDD C34H48N8O21 904.2935 NA PeJP NA NA +PJ073900 GSSDDMMY C35H52N8O16S2 904.2943 NA PeJP NA NA +PJ073901 GPTCCMMY C36H56N8O11S4 904.2952 NA PeJP NA NA +PJ073902 CCNNEHW C36H48N12O12S2 904.2956 NA PeJP NA NA +PJ073903 GGCCNEHW C36H48N12O12S2 904.2957 NA PeJP NA NA +PJ073904 SSCNNDEH C32H48N12O17S 904.2981 NA PeJP NA NA +PJ073905 GGSSCNDEH C32H48N12O17S 904.2982 NA PeJP NA NA +PJ073906 GSSMMMMM C33H60N8O11S5 904.2985 NA PeJP NA NA +PJ073907 GSCCCNRY C33H52N12O12S3 904.299 NA PeJP NA NA +PJ073908 SDDDMHW C37H48N10O15S 904.3022 NA PeJP NA NA +PJ073909 PCCEMHW C38H52N10O10S3 904.303 NA PeJP NA NA +PJ073910 SSSDDEEH C33H48N10O20 904.3047 NA PeJP NA NA +PJ073911 SSSCNNMY C34H52N10O15S2 904.3055 NA PeJP NA NA +PJ073912 GGDEEMMH C34H52N10O15S2 904.3056 NA PeJP NA NA +PJ073913 GCDDFYW C42H48N8O13S 904.3062 NA PeJP NA NA +PJ073914 CCDMMFR C35H56N10O10S4 904.3064 NA PeJP NA NA +PJ073915 GPCCDHHH C35H48N14O11S2 904.3069 NA PeJP NA NA +PJ073916 PCCCFFW C43H52N8O8S3 904.3071 NA PeJP NA NA +PJ073917 SSSSSSSSSC C30H52N10O20S 904.308 NA PeJP NA NA +PJ073918 PDDDEEW C38H48N8O18 904.3087 NA PeJP NA NA +PJ073919 SSSSTCCCK C31H56N10O15S3 904.3089 NA PeJP NA NA +PJ073920 SSCEMYW C39H52N8O13S2 904.3096 NA PeJP NA NA +PJ073921 SCCCCKKM C32H60N10O10S5 904.3098 NA PeJP NA NA +PJ073922 GCMMMFW C40H56N8O8S4 904.3104 NA PeJP NA NA +PJ073923 GCCNHWW C40H48N12O9S2 904.3109 NA PeJP NA NA +PJ073924 SSSTCEEY C35H52N8O18S 904.312 NA PeJP NA NA +PJ073925 SSSSDEMY C35H52N8O18S 904.3121 NA PeJP NA NA +PJ073926 SNEMMMY C36H56N8O13S3 904.3129 NA PeJP NA NA +PJ073927 GSSCNDHW C36H48N12O14S 904.3134 NA PeJP NA NA +PJ073928 CMYYYY C44H52N6O11S2 904.3136 NA PeJP NA NA +PJ073929 CCQMHHF C37H52N12O9S3 904.3143 NA PeJP NA NA +PJ073930 GSSSSNDDH C32H48N12O19 904.3159 NA PeJP NA NA +PJ073931 SSSTMMMM C33H60N8O13S4 904.3163 NA PeJP NA NA +PJ073932 CDDEMHR C33H52N12O14S2 904.3168 NA PeJP NA NA +PJ073933 CKMMMMM C34H64N8O8S6 904.3172 NA PeJP NA NA +PJ073934 GSPNDDDW C37H48N10O17 904.3199 NA PeJP NA NA +PJ073935 GDEMMHW C38H52N10O12S2 904.3208 NA PeJP NA NA +MJ097379 2,3-Dihydroxy-2-(2-methylpropyl)butanedioic acid, 2-O-?-D-Glucopyranoside, bis(4-?-D-glucopyranosyloxybenzyl) ester, C40H56O23 904.321238 NA MeJP NA NA +PJ073936 GSSSSSCQY C34H52N10O17S 904.3233 NA PeJP NA NA +PJ073937 GSDDYYW C42H48N8O15 904.3239 NA PeJP NA NA +PJ073938 SCDMMRY C35H56N10O12S3 904.3242 NA PeJP NA NA +PJ073939 NDDMHHH C35H48N14O13S 904.3246 NA PeJP NA NA +PJ073940 GGDDMHHH C35H48N14O13S 904.3247 NA PeJP NA NA +PJ073941 APCCYYW C43H52N8O10S2 904.3248 NA PeJP NA NA +PJ073942 CCCHHFR C36H52N14O8S3 904.3255 NA PeJP NA NA +PJ073943 SNNNNNND C31H48N14O18 904.3271 NA PeJP NA NA +PJ073944 GGGGGGSNNND C31H48N14O18 904.3272 NA PeJP NA NA +PJ073945 GNEEMYY C39H52N8O15S 904.3273 NA PeJP NA NA +PJ073946 GSCCNEHR C32H52N14O13S2 904.328 NA PeJP NA NA +PJ073947 GSMMMYW C40H56N8O10S3 904.3282 NA PeJP NA NA +PJ073948 GSPEEEEE C35H52N8O20 904.3298 NA PeJP NA NA +PJ073949 GSSTEMMY C36H56N8O15S2 904.3307 NA PeJP NA NA +PJ073950 NNNNDEW C36H48N12O16 904.3312 NA PeJP NA NA +PJ073951 AQMMMMY C37H60N8O10S4 904.3315 NA PeJP NA NA +PJ073952 GAAMMMMY C37H60N8O10S4 904.3316 NA PeJP NA NA +PJ073953 SCNQMHW C37H52N12O11S2 904.332 NA PeJP NA NA +PJ073954 GGGGAPCCHF C37H52N12O11S2 904.3321 NA PeJP NA NA +PJ073955 GPCNDDER C33H52N12O16S 904.3345 NA PeJP NA NA +PJ073956 GGGPCDDER C33H52N12O16S 904.3346 NA PeJP NA NA +PJ073957 GDDEHFW C41H48N10O14 904.3352 NA PeJP NA NA +PJ073958 NNQMMMH C34H56N12O11S3 904.3354 NA PeJP NA NA +PJ073959 GSCNNHHH C34H48N16O12S 904.3359 NA PeJP NA NA +PJ073960 DMMHWW C42H52N10O9S2 904.336 NA PeJP NA NA +PJ073961 PPCCNWW C42H52N10O9S2 904.3361 NA PeJP NA NA +MJ097380 Bussein M C44H56O20 904.336494 NA MeJP NA NA +PJ073962 PCDQQEW C38H52N10O14S 904.3385 NA PeJP NA NA +PJ073963 SSEEMHW C38H52N10O14S 904.3386 NA PeJP NA NA +PJ073964 PTCMMHW C39H56N10O9S3 904.3394 NA PeJP NA NA +PJ073965 GCEHHHW C39H48N14O10S 904.3399 NA PeJP NA NA +PJ073966 SSSSSSSNY C34H52N10O19 904.341 NA PeJP NA NA +PJ073967 TTTTDDDH C34H52N10O19 904.3411 NA PeJP NA NA +PJ073968 SSSCCQKY C35H56N10O14S2 904.3419 NA PeJP NA NA +PJ073969 GSSDEHHH C35H48N14O15 904.3424 NA PeJP NA NA +PJ073970 NEMYYW C43H52N8O12S 904.3426 NA PeJP NA NA +PJ073971 ACMMMRY C36H60N10O9S4 904.3428 NA PeJP NA NA +PJ073972 SCCNHRW C36H52N14O10S2 904.3433 NA PeJP NA NA +PJ073973 SPEEEEW C39H52N8O17 904.3451 NA PeJP NA NA +PJ073974 SSSCNDHR C32H52N14O15S 904.3458 NA PeJP NA NA +PJ073975 SSTMMYW C40H56N8O12S2 904.3459 NA PeJP NA NA +PJ073976 PPDEMMW C40H56N8O12S2 904.346 NA PeJP NA NA +PJ073977 GNNNDWW C40H48N12O13 904.3464 NA PeJP NA NA +PJ073978 CFFYYY C48H52N6O10S 904.3466 NA PeJP NA NA +PJ073979 GGGGCMMHR C33H56N14O10S3 904.3467 NA PeJP NA NA +PJ073980 SSSTTEMY C36H56N8O17S 904.3484 NA PeJP NA NA +PJ073981 AAPEEEEM C36H56N8O17S 904.3485 NA PeJP NA NA +PJ073982 SDKMMMY C37H60N8O12S3 904.3493 NA PeJP NA NA +PJ073983 PCNDDRW C37H52N12O13S 904.3498 NA PeJP NA NA +PJ073984 DDHFWW C45H48N10O11 904.3504 NA PeJP NA NA +PJ073985 CCKMHHF C38H56N12O8S3 904.3507 NA PeJP NA NA +PJ073986 NNDEEER C33H52N12O18 904.3523 NA PeJP NA NA +PJ073987 SDEMMHR C34H56N12O13S2 904.3532 NA PeJP NA NA +PJ073988 GPNDMWW C42H52N10O11S 904.3538 NA PeJP NA NA +PJ073989 PCMMMHR C35H60N12O8S4 904.354 NA PeJP NA NA +PJ073990 CHHHWW C43H48N14O7S 904.3552 NA PeJP NA NA +PJ073991 GQQEEEW C38H52N10O16 904.3563 NA PeJP NA NA +PJ073992 GCNNNNNR C31H52N16O14S 904.357 NA PeJP NA NA +PJ073993 ATEMMHW C39H56N10O11S2 904.3572 NA PeJP NA NA +PJ073994 SSDHHHW C39H48N14O12 904.3577 NA PeJP NA NA +PJ073995 GMYYWW C47H52N8O9S 904.3578 NA PeJP NA NA +PJ073996 CCCQHRR C32H56N16O9S3 904.3579 NA PeJP NA NA +PJ073997 GSSSSSCKY C35H56N10O16S 904.3597 NA PeJP NA NA +PJ073998 GSTEYYW C43H52N8O14 904.3603 NA PeJP NA NA +PJ073999 SSMMMRY C36H60N10O11S3 904.3605 NA PeJP NA NA +PJ074000 GTCCCKKY C36H60N10O11S3 904.3606 NA PeJP NA NA +PJ074001 CNNDHFR C36H52N14O12S 904.361 NA PeJP NA NA +PJ074002 QMMFYW C44H56N8O9S2 904.3612 NA PeJP NA NA +PJ074003 NDDDDRR C32H52N14O17 904.3635 NA PeJP NA NA +PJ074004 GGGGGGGSDER C32H52N14O17 904.3636 NA PeJP NA NA +PJ074005 PVDEEMW C40H56N8O14S 904.3637 NA PeJP NA NA +PJ074006 AYYYYY C48H52N6O12 904.3643 NA PeJP NA NA +PJ074007 GSSCQMHR C33H56N14O12S2 904.3644 NA PeJP NA NA +PJ074008 AQMMMFF C41H60N8O9S3 904.3646 NA PeJP NA NA +PJ074009 GNNMHFW C41H52N12O10S 904.365 NA PeJP NA NA +PJ074010 GGGNMHFW C41H52N12O10S 904.3651 NA PeJP NA NA +PJ074011 LQEEEEE C36H56N8O19 904.3662 NA PeJP NA NA +PJ074012 SSSSLMMY C37H60N8O14S2 904.3671 NA PeJP NA NA +PJ074013 ANDDERW C37H52N12O15 904.3675 NA PeJP NA NA +PJ074014 GNDEERW C37H52N12O15 904.3676 NA PeJP NA NA +PJ074015 AKMMMMY C38H64N8O9S4 904.3679 NA PeJP NA NA +PJ074016 APPPMMMM C38H64N8O9S4 904.368 NA PeJP NA NA +PJ074017 GSPPCCRW C38H56N12O10S2 904.3684 NA PeJP NA NA +PJ074018 PCQWWW C46H52N10O8S 904.3691 NA PeJP NA NA +PJ074019 GSPNDEMR C34H56N12O15S 904.3709 NA PeJP NA NA +PJ074020 GGGGGGGGGLEM C34H56N12O15S 904.371 NA PeJP NA NA +PJ074021 QQEEWW C42H52N10O13 904.3716 NA PeJP NA NA +PJ074022 AEMMMHR C35H60N12O10S3 904.3718 NA PeJP NA NA +PJ074023 SCEHHHR C35H52N16O11S 904.3723 NA PeJP NA NA +PJ074024 CMFRYW C43H56N10O8S2 904.3724 NA PeJP NA NA +PJ074025 TTTEMHW C39H56N10O13S 904.3749 NA PeJP NA NA +PJ074026 GGGAPTEMW C39H56N10O13S 904.375 NA PeJP NA NA +PJ074027 STYYWW C47H52N8O11 904.3756 NA PeJP NA NA +PJ074028 GLMMMHW C40H60N10O8S3 904.3758 NA PeJP NA NA +PJ074029 GTMHHHW C40H52N14O9S 904.3763 NA PeJP NA NA +PJ074030 STTTTEEH C35H56N10O18 904.3774 NA PeJP NA NA +PJ074031 VDEEEER C35H56N10O18 904.3775 NA PeJP NA NA +PJ074032 SSSCCKKY C36H60N10O13S2 904.3783 NA PeJP NA NA +PJ074033 SNNNDRW C36H52N14O14 904.3788 NA PeJP NA NA +PJ074034 DKMYYW C44H56N8O11S 904.379 NA PeJP NA NA +PJ074035 PKMMMMH C37H64N10O8S4 904.3792 NA PeJP NA NA +PJ074036 VNMMHHH C37H56N14O9S2 904.3796 NA PeJP NA NA +PJ074037 GGVMMHHH C37H56N14O9S2 904.3797 NA PeJP NA NA +PJ074038 SNHHHHH C37H48N18O10 904.3801 NA PeJP NA NA +PJ074039 SSKEEYY C40H56N8O16 904.3814 NA PeJP NA NA +PJ074040 ALEEEEW C40H56N8O16 904.3815 NA PeJP NA NA +PJ074041 SSSSNMHR C33H56N14O14S 904.3821 NA PeJP NA NA +PJ074042 GSPCDDRR C33H56N14O14S 904.3822 NA PeJP NA NA +PJ074043 GLQMMYY C41H60N8O11S2 904.3823 NA PeJP NA NA +PJ074044 NDERWW C41H52N12O12 904.3828 NA PeJP NA NA +PJ074045 APPCCCRR C34H60N14O9S3 904.383 NA PeJP NA NA +PJ074046 STTTTTMY C37H60N8O16S 904.3848 NA PeJP NA NA +PJ074047 TTKMMMY C38H64N8O11S3 904.3857 NA PeJP NA NA +PJ074048 SPNDMRW C38H56N12O12S 904.3862 NA PeJP NA NA +PJ074049 AQEWWW C46H52N10O10 904.3868 NA PeJP NA NA +PJ074050 SQQEEER C34H56N12O17 904.3887 NA PeJP NA NA +PJ074051 TTEMMHR C35H60N12O12S2 904.3895 NA PeJP NA NA +PJ074052 GGPQEMMR C35H60N12O12S2 904.3896 NA PeJP NA NA +PJ074053 NNQQQHH C35H52N16O13 904.39 NA PeJP NA NA +PJ074054 GGGGGGGGGVHH C35H52N16O13 904.3901 NA PeJP NA NA +PJ074055 GPTQMWW C43H56N10O10S 904.3902 NA PeJP NA NA +PJ074056 GFFYWW C51H52N8O8 904.3908 NA PeJP NA NA +PJ074057 GMMHHHR C36H56N16O8S2 904.3909 NA PeJP NA NA +PJ074058 GQKEEEW C39H56N10O15 904.3927 NA PeJP NA NA +PJ074059 CNNNERR C32H56N16O13S 904.3934 NA PeJP NA NA +PJ074060 STLMMHW C40H60N10O10S2 904.3936 NA PeJP NA NA +PJ074061 STTHHHW C40H52N14O11 904.394 NA PeJP NA NA +PJ074062 GGGGPTHHW C40H52N14O11 904.3941 NA PeJP NA NA +PJ074063 QMFFFW C48H56N8O8S 904.3942 NA PeJP NA NA +PJ074064 CCCKHRR C33H60N16O8S3 904.3943 NA PeJP NA NA +PJ074065 SSTTLEMH C36H60N10O15S 904.3961 NA PeJP NA NA +PJ074066 SSSLYYW C44H56N8O13 904.3967 NA PeJP NA NA +PJ074067 VKEMMMH C37H64N10O10S3 904.3969 NA PeJP NA NA +PJ074068 GGGPPKMMM C37H64N10O10S3 904.397 NA PeJP NA NA +PJ074069 GNNQMRW C37H56N14O11S 904.3974 NA PeJP NA NA +PJ074070 KMMFYW C45H60N8O8S2 904.3976 NA PeJP NA NA +PJ074071 GDRWWW C45H52N12O9 904.3981 NA PeJP NA NA +PJ074072 SNDEERR C33H56N14O16 904.3999 NA PeJP NA NA +PJ074073 PTLEEMW C41H60N8O13S 904.4001 NA PeJP NA NA +PJ074074 PCNEMRR C34H60N14O11S2 904.4008 NA PeJP NA NA +PJ074075 PPLMMMW C42H64N8O8S3 904.401 NA PeJP NA NA +PJ074076 NNNNHHR C34H52N18O12 904.4012 NA PeJP NA NA +PJ074077 GGNNNHHR C34H52N18O12 904.4013 NA PeJP NA NA +PJ074078 GPTCRWW C42H56N12O9S 904.4014 NA PeJP NA NA +PJ074079 AAWWWW C50H52N10O7 904.4021 NA PeJP NA NA +PJ074080 LKEEEEE C37H60N8O18 904.4026 NA PeJP NA NA +PJ074081 GPVLEEMM C38H64N8O13S2 904.4035 NA PeJP NA NA +PJ074082 GTQEERW C38H56N12O14 904.4039 NA PeJP NA NA +PJ074083 GGGGGGTKEW C38H56N12O14 904.404 NA PeJP NA NA +PJ074084 GPQMMRW C39H60N12O9S2 904.4048 NA PeJP NA NA +PJ074085 GDHHHFR C39H52N16O10 904.4053 NA PeJP NA NA +PJ074086 PCKWWW C47H56N10O7S 904.4055 NA PeJP NA NA +PJ074087 VNQEEMR C35H60N12O14S 904.4073 NA PeJP NA NA +PJ074088 SSPDKWW C43H56N10O12 904.4079 NA PeJP NA NA +PJ074089 QKEEWW C43H56N10O12 904.408 NA PeJP NA NA +PJ074090 SLMMMHR C36H64N12O9S3 904.4082 NA PeJP NA NA +PJ074091 GCNNRRW C36H56N16O10S 904.4086 NA PeJP NA NA +PJ074092 GGGCNRRW C36H56N16O10S 904.4087 NA PeJP NA NA +PJ074093 AAHHHFW C44H52N14O8 904.4093 NA PeJP NA NA +PJ074094 GSSNNDRR C32H56N16O15 904.4111 NA PeJP NA NA +PJ074095 GGGSSNDRR C32H56N16O15 904.4112 NA PeJP NA NA +PJ074096 SPQKEMW C40H60N10O12S 904.4113 NA PeJP NA NA +PJ074097 VQFYYW C48H56N8O10 904.412 NA PeJP NA NA +PJ074098 PCKHHHF C41H56N14O8S 904.4127 NA PeJP NA NA +PJ074099 TLEEEER C36H60N10O17 904.4138 NA PeJP NA NA +PJ074100 PLEEMMR C37H64N10O12S2 904.4147 NA PeJP NA NA +PJ074101 GSDERRW C37H56N14O13 904.4152 NA PeJP NA NA +PJ074102 GPKMFYY C45H60N8O10S 904.4153 NA PeJP NA NA +PJ074103 PPVEMFW C45H60N8O10S 904.4154 NA PeJP NA NA +PJ074104 GPCMRRW C38H60N14O8S2 904.416 NA PeJP NA NA +PJ074105 SLLEEEW C41H60N8O15 904.4178 NA PeJP NA NA +PJ074106 TLLDEEW C41H60N8O15 904.4179 NA PeJP NA NA +PJ074107 GQEEMRR C34H60N14O13S 904.4185 NA PeJP NA NA +PJ074108 GGAEEMRR C34H60N14O13S 904.4186 NA PeJP NA NA +PJ074109 PVLEMMW C42H64N8O10S2 904.4187 NA PeJP NA NA +PJ074110 TQERWW C42H56N12O11 904.4192 NA PeJP NA NA +PJ074111 CCKKMHR C35H64N14O8S3 904.4194 NA PeJP NA NA +PJ074112 AALLEEEM C38H64N8O15S 904.4212 NA PeJP NA NA +PJ074113 SPPVLMMM C39H68N8O10S3 904.4221 NA PeJP NA NA +PJ074114 SPTQMRW C39H60N12O11S 904.4225 NA PeJP NA NA +PJ074115 GVQEMRW C39H60N12O11S 904.4226 NA PeJP NA NA +PJ074116 AKEWWW C47H56N10O9 904.4232 NA PeJP NA NA +PJ074117 SSPTTQER C35H60N12O16 904.425 NA PeJP NA NA +PJ074118 SQKEEER C35H60N12O16 904.4251 NA PeJP NA NA +PJ074119 PNKEMMR C36H64N12O11S2 904.4259 NA PeJP NA NA +PJ074120 GGGGAPCKKM C36H64N12O11S2 904.426 NA PeJP NA NA +PJ074121 AQQEHHR C36H56N16O12 904.4264 NA PeJP NA NA +PJ074122 GPTKMWW C44H60N10O9S 904.4266 NA PeJP NA NA +PJ074123 GKKEEEW C40H60N10O14 904.4291 NA PeJP NA NA +PJ074124 GDDMRRR C33H60N16O12S 904.4298 NA PeJP NA NA +PJ074125 PVNKMMW C41H64N10O9S2 904.43 NA PeJP NA NA +PJ074126 SDRRWW C41H56N14O10 904.4304 NA PeJP NA NA +PJ074127 KMFFFW C49H60N8O7S 904.4306 NA PeJP NA NA +PJ074128 TTTTTLMH C37H64N10O14S 904.4324 NA PeJP NA NA +PJ074129 VLEEEMR C37H64N10O14S 904.4325 NA PeJP NA NA +PJ074130 PPTLEYW C45H60N8O12 904.4331 NA PeJP NA NA +PJ074131 APPCKKMM C38H68N10O9S3 904.4333 NA PeJP NA NA +PJ074132 QEMRRW C38H60N14O10S 904.4338 NA PeJP NA NA +PJ074133 ATRWWW C46H56N12O8 904.4344 NA PeJP NA NA +PJ074134 GGPFRWW C46H56N12O8 904.4345 NA PeJP NA NA +PJ074135 STQEERR C34H60N14O15 904.4363 NA PeJP NA NA +PJ074136 VVLEEMW C42H64N8O12S 904.4365 NA PeJP NA NA +PJ074137 SPQMMRR C35H64N14O10S2 904.4372 NA PeJP NA NA +PJ074138 GNEHHRR C35H56N18O11 904.4376 NA PeJP NA NA +PJ074139 GGGEHHRR C35H56N18O11 904.4377 NA PeJP NA NA +PJ074140 VQMRWW C43H60N12O8S 904.4378 NA PeJP NA NA +PJ074141 ATTLLEEE C38H64N8O17 904.439 NA PeJP NA NA +PJ074142 APTILEMM C39H68N8O12S2 904.4398 NA PeJP NA NA +PJ074143 APTLLEMM C39H68N8O12S2 904.4399 NA PeJP NA NA +PJ074144 GTKEERW C39H60N12O13 904.4403 NA PeJP NA NA +PJ074145 GGGGGGGGGLLF C39H60N12O13 904.4404 NA PeJP NA NA +PJ074146 SCNNRRR C32H60N18O11S 904.441 NA PeJP NA NA +PJ074147 GPKMMRW C40H64N12O8S2 904.4412 NA PeJP NA NA +PJ074148 AAQHHRW C40H56N16O9 904.4417 NA PeJP NA NA +PJ074149 VNKEEMR C36H64N12O13S 904.4437 NA PeJP NA NA +PJ074150 KKEEWW C44H60N10O11 904.4443 NA PeJP NA NA +PJ074151 GGGGPVLYW C44H60N10O11 904.4444 NA PeJP NA NA +PJ074152 CKKKMMH C37H68N12O8S3 904.4446 NA PeJP NA NA +PJ074153 CERRRW C37H60N16O9S 904.445 NA PeJP NA NA +MJ097381 Bryostatin 1 C47H68O17 904.44565 NA MeJP NA NA +C05149 Bryostatin 1 C47H68O17 904.4457 NA KEGG NA NA +C05150 Teleocidin B-1 C47H68O17 904.4457 NA KEGG NA NA +PJ074154 SSDERRR C33H60N16O14 904.4475 NA PeJP NA NA +PJ074155 SPKKEMW C41H64N10O11S 904.4477 NA PeJP NA NA +PJ074156 VKFYYW C49H60N8O9 904.4484 NA PeJP NA NA +PJ074157 AMRRWW C42H60N14O7S 904.4491 NA PeJP NA NA +PJ074158 DKKKEEE C37H64N10O16 904.4502 NA PeJP NA NA +PJ074159 AAPKKEMM C38H68N10O11S2 904.4511 NA PeJP NA NA +PJ074160 ASTERRW C38H60N14O12 904.4515 NA PeJP NA NA +MJ097382 11-Hydroxyhexadecanoic acid, O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] C40H72O22 904.451523 NA MeJP NA NA +PJ074161 GTTERRW C38H60N14O12 904.4516 NA PeJP NA NA +PJ074162 PPVLMYW C46H64N8O9S 904.4517 NA PeJP NA NA +PJ074163 NHHRRW C39H56N18O8 904.4529 NA PeJP NA NA +PJ074164 AAPLLEEY C42H64N8O14 904.4542 NA PeJP NA NA +PJ074165 GKEEMRR C35H64N14O12S 904.4549 NA PeJP NA NA +PJ074166 GGGGGGGCKKK C35H64N14O12S 904.455 NA PeJP NA NA +PJ074167 GPPLLMMF C43H68N8O9S2 904.4551 NA PeJP NA NA +PJ074168 TKERWW C43H60N12O10 904.4556 NA PeJP NA NA +PJ074169 GTLLLEEM C39H68N8O14S 904.4576 NA PeJP NA NA +PJ074170 GPLLLMMM C40H72N8O9S3 904.4585 NA PeJP NA NA +PJ074171 AVDKMRW C40H64N12O10S 904.4589 NA PeJP NA NA +PJ074172 GVKEMRW C40H64N12O10S 904.459 NA PeJP NA NA +PJ074173 SLKWWW C48H60N10O8 904.4596 NA PeJP NA NA +PJ074174 SKKEEER C36H64N12O15 904.4614 NA PeJP NA NA +PJ074175 GSSLKEER C36H64N12O15 904.4615 NA PeJP NA NA +PJ074176 PDKKMMR C37H68N12O10S2 904.4623 NA PeJP NA NA +PJ074177 GNQQFRR C37H60N16O11 904.4628 NA PeJP NA NA +PJ074178 AALKMWW C45H64N10O8S 904.463 NA PeJP NA NA +8146 peptide derived from rice bran proteins (Oryza sativa) AIRQGDVF 904.4639 anti inflammatory Inhouse_peptide NA peptide +PJ074179 SVKKEEW C41H64N10O13 904.4655 NA PeJP NA NA +PJ074180 GTEMRRR C34H64N16O11S 904.4662 NA PeJP NA NA +PJ074181 PCLKKMW C42H68N10O8S2 904.4663 NA PeJP NA NA +PJ074182 TTRRWW C42H60N14O9 904.4668 NA PeJP NA NA +PJ074183 LQKKEEM C38H68N10O13S 904.4688 NA PeJP NA NA +PJ074184 GALKKEEM C38H68N10O13S 904.4689 NA PeJP NA NA +PJ074185 PVVLEYW C46H64N8O11 904.4695 NA PeJP NA NA +PJ074186 KEMRRW C39H64N14O9S 904.4702 NA PeJP NA NA +PJ074187 LHFFRW C47H60N12O7 904.4708 NA PeJP NA NA +PJ074188 STKEERR C35H64N14O14 904.4727 NA PeJP NA NA +PJ074189 TLLLEMW C43H68N8O11S 904.4729 NA PeJP NA NA +PJ074190 ALQMMRR C36H68N14O9S2 904.4735 NA PeJP NA NA +PJ074191 SPKMMRR C36H68N14O9S2 904.4736 NA PeJP NA NA +PJ074192 GDKHHRR C36H60N18O10 904.474 NA PeJP NA NA +PJ074193 VKMRWW C44H64N12O7S 904.4742 NA PeJP NA NA +PJ074194 STTLLLEE C39H68N8O16 904.4754 NA PeJP NA NA +PJ074195 GVLLLEMM C40H72N8O11S2 904.4762 NA PeJP NA NA +PJ074196 SSLKERW C40H64N12O12 904.4767 NA PeJP NA NA +PJ074197 AAKHHRW C41H60N16O8 904.478 NA PeJP NA NA +PJ074198 GPPHRRW C41H60N16O8 904.4781 NA PeJP NA NA +PJ074199 VDKKEMR C37H68N12O12S 904.4801 NA PeJP NA NA +PJ074200 ATTLKWW C45H64N10O10 904.4807 NA PeJP NA NA +PJ074201 TMRRRW C38H64N16O8S 904.4814 NA PeJP NA NA +PJ074202 STTERRR C34H64N16O13 904.4839 NA PeJP NA NA +PJ074203 ALKKEMW C42H68N10O10S 904.4841 NA PeJP NA NA +PJ074204 PPVLFFW C50H64N8O8 904.4848 NA PeJP NA NA +PJ074205 GSHHRRR C35H60N20O9 904.4853 NA PeJP NA NA +PJ074206 GTTLKKEE C38H68N10O15 904.4866 NA PeJP NA NA +PJ074207 LLLEMMR C39H72N10O10S2 904.4875 NA PeJP NA NA +PJ074208 SSTLRRW C39H64N14O11 904.4879 NA PeJP NA NA +PJ074209 GGALEFRR C39H64N14O11 904.488 NA PeJP NA NA +PJ074210 PVLLMFW C47H68N8O8S 904.4881 NA PeJP NA NA +MJ097383 N-Deacyltunicamycin; N4''-(3-Hydroxy-16-methyloctadecanoyl) C42H72N4O17 904.489246 NA MeJP NA NA +PJ074211 GPTLLLEY C43H68N8O13 904.4906 NA PeJP NA NA +PJ074212 SVKEMRR C36H68N14O11S 904.4913 NA PeJP NA NA +PJ074213 VLLLMMW C44H72N8O8S2 904.4915 NA PeJP NA NA +PJ074214 GPVKRYW C44H64N12O9 904.492 NA PeJP NA NA +PJ074215 SSLLLLEM C40H72N8O13S 904.494 NA PeJP NA NA +PJ074216 ATLKMRW C41H68N12O9S 904.4953 NA PeJP NA NA +PJ074217 MMRRRR C34H68N18O7S2 904.496 NA PeJP NA NA +PJ074218 GTTTLKER C37H68N12O14 904.4978 NA PeJP NA NA +PJ074219 VLQKMMR C38H72N12O9S2 904.4987 NA PeJP NA NA +PJ074220 GPTRRRY C38H64N16O10 904.4992 NA PeJP NA NA +PJ074221 TTLKKEW C42H68N10O12 904.5018 NA PeJP NA NA +PJ074222 GSTTLLKW C42H68N10O12 904.5019 NA PeJP NA NA +PJ074223 SSLMRRR C35H68N16O10S 904.5025 NA PeJP NA NA +PJ074224 GGTCKKRR C35H68N16O10S 904.5026 NA PeJP NA NA +MJ097384 Furostane-3,22,26-triol, 22-Me ether, 3-O-[?-D-xylopyranosyl-(1?4)-?-D-glucopyranoside], 26-?-D-glucopyranoside C45H76O18 904.503165 NA MeJP NA NA +MJ097385 Furostane-3,22,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 26-?-D-glucopyranoside C45H76O18 904.503165 NA MeJP NA NA +MJ097386 Furostane-3,22,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H76O18 904.503165 NA MeJP NA NA +MJ097387 Furostane-3,6,22,26-tetrol, 6-O-[?-L-Rhamnopyranosyl-(1?3)-6-deoxy-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H76O18 904.503165 NA MeJP NA NA +MJ097388 Furostane-3,6,22,26-tetrol, 22-Me ether, 6-O-[?-D-xylopyranosyl-(1?3)-6-deoxy-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H76O18 904.503165 NA MeJP NA NA +PJ074225 PKRRYW C43H64N14O8 904.5032 NA PeJP NA NA +PJ074226 LKKKEEM C39H72N10O12S 904.5052 NA PeJP NA NA +PJ074227 PTLLLYW C47H68N8O10 904.5059 NA PeJP NA NA +PJ074228 GCKKKRW C40H68N14O8S 904.5066 NA PeJP NA NA +PJ074229 SSSSLLRR C36H68N14O13 904.5091 NA PeJP NA NA +PJ074230 GPVLLLMY C44H72N8O10S 904.5093 NA PeJP NA NA +PJ074231 ALKMMRR C37H72N14O8S2 904.5099 NA PeJP NA NA +PJ074232 DFRRRR C37H64N18O9 904.5104 NA PeJP NA NA +PJ074233 ATLLLLMM C41H76N8O10S2 904.5126 NA PeJP NA NA +PJ074234 TTTLKRW C41H68N12O11 904.5131 NA PeJP NA NA +PJ074235 TLKKEMR C38H72N12O11S 904.5165 NA PeJP NA NA +PJ074236 APLKKYW C46H68N10O9 904.5171 NA PeJP NA NA +C11976 Avermectin A2a C49H76O15 904.5184 NA KEGG NA NA +MJ097389 Avermectin B1a; 22,23-Dihydro, 23S-hydroxy, O5-Me C49H76O15 904.518421 NA MeJP NA NA +MJ097390 Avermectin B1c; 22,23-Dihydro, 23S-hydroxy C49H76O15 904.518421 NA MeJP NA NA +PJ074237 GSSSKKRR C35H68N16O12 904.5203 NA PeJP NA NA +PJ074238 SLLKKMW C43H72N10O9S 904.5205 NA PeJP NA NA +PJ074239 SSTLLKKE C39H72N10O14 904.523 NA PeJP NA NA +PJ074240 AALLKKMM C40H76N10O9S2 904.5239 NA PeJP NA NA +PJ074241 SPVKRRY C40H68N14O10 904.5243 NA PeJP NA NA +PJ074242 AALLLLEY C44H72N8O12 904.527 NA PeJP NA NA +PJ074243 TTLKMRR C37H72N14O10S 904.5277 NA PeJP NA NA +PJ074244 GVLKFRW C45H68N12O8 904.5284 NA PeJP NA NA +PJ074245 TTTLLLLM C41H76N8O12S 904.5304 NA PeJP NA NA +PJ074246 GKKKKMW C42H72N12O8S 904.5317 NA PeJP NA NA +PJ074247 SSTTLLKR C38H72N12O13 904.5342 NA PeJP NA NA +PJ074248 VLKKMMR C39H76N12O8S2 904.5351 NA PeJP NA NA +PJ074249 AALRRRY C39H68N16O9 904.5356 NA PeJP NA NA +PJ074250 VLLLERY C43H72N10O11 904.5382 NA PeJP NA NA +PJ074251 GGAALLLKY C43H72N10O11 904.5383 NA PeJP NA NA +PJ074252 SCKKKRR C36H72N16O9S 904.5389 NA PeJP NA NA +PJ074253 LKFRRW C44H68N14O7 904.5396 NA PeJP NA NA +PJ074254 ATTLLKKM C40H76N10O11S 904.5416 NA PeJP NA NA +PJ074255 VVLLLYW C48H72N8O9 904.5423 NA PeJP NA NA +PJ074256 GSTTKKKR C37H72N14O12 904.5455 NA PeJP NA NA +PJ074257 GVLLLLMF C45H76N8O9S 904.5456 NA PeJP NA NA +PJ074258 VRRRRY C38H68N18O8 904.5468 NA PeJP NA NA +PJ074259 STKKKKW C42H72N12O10 904.5495 NA PeJP NA NA +PJ074260 DKKKKKM C39H76N12O10S 904.5529 NA PeJP NA NA +PJ074261 ALLKKFW C47H72N10O8 904.5535 NA PeJP NA NA +PJ074262 LLLLMFR C44H76N10O8S 904.5569 NA PeJP NA NA +PJ074263 TTTTLLKK C40H76N10O13 904.5594 NA PeJP NA NA +PJ074264 GLLKRRY C41H72N14O9 904.5607 NA PeJP NA NA +PJ074265 GTLLLLLY C45H76N8O11 904.5634 NA PeJP NA NA +PJ074266 SKKKKMR C38H76N14O9S 904.5641 NA PeJP NA NA +PJ074267 SSSLKKKK C39H76N12O12 904.5706 NA PeJP NA NA +PJ074268 PVLKHRR C40H72N16O8 904.5719 NA PeJP NA NA +PJ074269 LLLQKKY C44H76N10O10 904.5746 NA PeJP NA NA +PJ074270 VVLKKRY C43H76N12O9 904.5859 NA PeJP NA NA +PJ074271 AKKKKFR C42H76N14O8 904.5971 NA PeJP NA NA +PJ074272 LLLKKKY C45H80N10O9 904.611 NA PeJP NA NA +PJ074273 VKKKKKF C44H80N12O8 904.6222 NA PeJP NA NA +HMDB05462 TG(18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H100O6 904.75201 http://www.hmdb.ca/metabolites/HMDB05462 HMDB NA NA +HMDB05462 TG(18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H100O6 904.75201 HMDB05462 PFEM_hmdb_metabocards_official NA NA +HMDB05462 TG(18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H100O6 904.752014 NA HMDB2010 NA NA +HMDB10455 TG(18:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C59H100O6 904.752014 NA HMDB2010 NA NA +HMDB10464 TG(18:1(9Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3] C59H100O6 904.752014 NA HMDB2010 NA NA +HMDB10469 TG(18:2(9Z,12Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C59H100O6 904.752014 NA HMDB2010 NA NA +HMDB10480 TG(18:2(9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H100O6 904.752014 NA HMDB2010 NA NA +HMDB10492 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:3(8Z,11Z,14Z))[iso3] C59H100O6 904.752014 NA HMDB2010 NA NA +HMDB10521 TG(20:4(5Z,8Z,11Z,14Z)/18:0/18:3(9Z,12Z,15Z))[iso6] C59H100O6 904.752014 NA HMDB2010 NA NA +MJ097391 1,2-Di-O-acylglycerols; Glycerol 1,2-dioctacosanoate C59H116O5 904.882276 NA MeJP NA NA +2842 orphanin FQ/nociceptin peptide (FQ/N) FGGFTGARKSARKLADE 904.96595 MH2+ Inhouse_peptide NA peptide +MJ097392 4-Chlorobenzoyl-CoA C28H39ClN7O17P3S 905.10245 NA MeJP NA NA +MetaCyc04282 4-chlorobenzoyl-coA [] C28H39N7O17P3S1CL1 905.102451 NA metacyc NA NA +C06387 4-Chlorobenzoyl-CoA C28H39ClN7O17P3S 905.1025 NA KEGG NA NA +C06388 2-Aryl-2-methylmalonate C4H5O4R 905.1025 NA KEGG NA NA +C06389 2-Arylpropionate C3H5O2R 905.1025 NA KEGG NA NA +MetaCyc04283 cyclohex-1,3-diene-5,6-dihydroxy-1-carboxyl-CoA [] C28H42N7O19P3S1 905.146902 NA metacyc NA NA +PJ074274 GPCCCCCCD C29H47N9O12S6 905.1669 NA PeJP NA NA +PJ074275 CCCCNDDM C29H47N9O14S5 905.1846 NA PeJP NA NA +PJ074276 GGCCCCDDM C29H47N9O14S5 905.1847 NA PeJP NA NA +PJ074277 GSCCCCCNN C28H47N11O13S5 905.1959 NA PeJP NA NA +PJ074278 GCCCCCEW C33H47N9O11S5 905.1999 NA PeJP NA NA +PJ074279 GSSCCCCDE C29H47N9O16S4 905.2024 NA PeJP NA NA +PJ074280 GSPCCCCCM C30H51N9O11S6 905.2033 NA PeJP NA NA +PJ074281 CCCCCWW C37H47N9O8S5 905.2151 NA PeJP NA NA +PJ074282 SSCCCCDW C33H47N9O13S4 905.2177 NA PeJP NA NA +PJ074283 SSSSCCCDD C29H47N9O18S3 905.2202 NA PeJP NA NA +PJ074284 SCCCNDMM C30H51N9O13S5 905.221 NA PeJP NA NA +PJ074285 SCCCCCER C29H51N11O12S5 905.2323 NA PeJP NA NA +MJ097393 Tatiopterin; Tatiopterin O, 2',5'-Dihydroxy C33H44N7O21P 905.232788 NA MeJP NA NA +PJ074286 GCCCNDEY C33H47N9O15S3 905.2354 NA PeJP NA NA +PJ074287 GTCCCCMW C34H51N9O10S5 905.2363 NA PeJP NA NA +PJ074288 GSSSCCCEM C30H51N9O15S4 905.2388 NA PeJP NA NA +PJ074289 GCCCQMMM C31H55N9O10S6 905.2397 NA PeJP NA NA +PJ074290 SCCCCNHH C31H47N13O11S4 905.2401 NA PeJP NA NA +PJ074291 PCCCNDDH C32H47N11O14S3 905.2467 NA PeJP NA NA +PJ074292 CCCNDYW C37H47N9O12S3 905.2507 NA PeJP NA NA +PJ074293 GCCCCMMR C30H55N11O9S6 905.2509 NA PeJP NA NA +PJ074294 SSCCNDDY C33H47N9O17S2 905.2532 NA PeJP NA NA +PJ074295 SSSCCCMW C34H51N9O12S4 905.254 NA PeJP NA NA +PJ074296 GGGCCCEMF C34H51N9O12S4 905.2541 NA PeJP NA NA +PJ074297 SSSSSCCDM C30H51N9O17S3 905.2565 NA PeJP NA NA +PJ074298 SSCCNMMM C31H55N9O12S5 905.2574 NA PeJP NA NA +PJ074299 CDDEMMY C35H51N7O15S3 905.2606 NA PeJP NA NA +PJ074300 GCNDDDMH C32H47N11O16S2 905.2644 NA PeJP NA NA +PJ074301 CEMMMMM C33H59N7O10S6 905.2648 NA PeJP NA NA +PJ074302 GCCCCDFR C33H51N11O11S4 905.2653 NA PeJP NA NA +PJ074303 STCCCCMR C30H55N11O11S5 905.2686 NA PeJP NA NA +PJ074304 CCCNMFW C38H51N9O9S4 905.2693 NA PeJP NA NA +PJ074305 GSCCNEMY C34H51N9O14S3 905.2718 NA PeJP NA NA +PJ074306 PCCCCCKF C35H55N9O9S5 905.2727 NA PeJP NA NA +PJ074307 CDDDEFY C38H47N7O17S 905.275 NA PeJP NA NA +PJ074308 GSSSTCCMM C31H55N9O14S4 905.2752 NA PeJP NA NA +PJ074309 SCCNNNDH C31H47N13O15S2 905.2756 NA PeJP NA NA +PJ074310 GGGGSCCNDH C31H47N13O15S2 905.2757 NA PeJP NA NA +PJ074311 GCCCKMMM C32H59N9O9S6 905.276 NA PeJP NA NA +PJ074312 CDEMMMF C36H55N7O12S4 905.2792 NA PeJP NA NA +PJ074313 CCNDEHW C36H47N11O13S2 905.2797 NA PeJP NA NA +PJ074314 SSCNDDEH C32H47N11O18S 905.2822 NA PeJP NA NA +PJ074315 GSCCCDRY C33H51N11O13S3 905.283 NA PeJP NA NA +PJ074316 CNNDDYY C37H47N9O16S 905.2862 NA PeJP NA NA +MetaCyc04284 coenzyme F430 [nickel porphinoid;factor F430;] C42H51N6O13NI1 905.286759 NA metacyc NA NA +C05777 Coenzyme F430 C42H51N6NiO13 905.2868 NA KEGG NA NA +PJ074317 SCCNMYW C38H51N9O11S3 905.287 NA PeJP NA NA +PJ074318 GGSCCMYW C38H51N9O11S3 905.2871 NA PeJP NA NA +PJ074319 SPNDDDDE C33H47N9O21 905.2887 NA PeJP NA NA +PJ074320 SSSCNDMY C34H51N9O16S2 905.2895 NA PeJP NA NA +PJ074321 GGSSSCDMY C34H51N9O16S2 905.2896 NA PeJP NA NA +PJ074322 CNNMMMY C35H55N9O11S4 905.2904 NA PeJP NA NA +PJ074323 SDDDEYY C38H47N7O19 905.2927 NA PeJP NA NA +PJ074324 SSSSSSCMM C31H55N9O16S3 905.2929 NA PeJP NA NA +PJ074325 PCDDMYY C39H51N7O14S2 905.2936 NA PeJP NA NA +PJ074326 STCCCKMM C32H59N9O11S5 905.2938 NA PeJP NA NA +PJ074327 GCCNNQMH C32H51N13O12S3 905.2943 NA PeJP NA NA +PJ074328 GCCDHWW C40H47N11O10S2 905.2949 NA PeJP NA NA +PJ074329 SDEMMMY C36H55N7O14S3 905.2969 NA PeJP NA NA +PJ074330 GSSCDDHW C36H47N11O15S 905.2974 NA PeJP NA NA +PJ074331 PCMMMMY C37H59N7O9S5 905.2978 NA PeJP NA NA +PJ074332 GPTCCCHW C37H51N11O10S3 905.2983 NA PeJP NA NA +PJ074333 GSSSSDDDH C32H47N11O20 905.2999 NA PeJP NA NA +PJ074334 GGGGGGGDDEE C32H47N11O20 905.3 NA PeJP NA NA +PJ074335 GSNDDMMH C33H51N11O15S2 905.3008 NA PeJP NA NA +PJ074336 TMMMMMM C34H63N7O9S6 905.3012 NA PeJP NA NA +PJ074337 CCCQMRY C34H55N11O10S4 905.3017 NA PeJP NA NA +PJ074338 CCCHFFF C42H51N9O8S3 905.3023 NA PeJP NA NA +PJ074339 GSPDDDDW C37H47N9O18 905.304 NA PeJP NA NA +PJ074340 GSSTCCYW C38H51N9O13S2 905.3048 NA PeJP NA NA +PJ074341 GCCCNNHR C31H51N15O11S3 905.3055 NA PeJP NA NA +PJ074342 GSSSSSCEY C34H51N9O18S 905.3073 NA PeJP NA NA +PJ074343 GSSCQMMY C35H55N9O13S3 905.3082 NA PeJP NA NA +PJ074344 DDDMHHH C35H47N13O14S 905.3087 NA PeJP NA NA +PJ074345 SNNNNNDD C31H47N13O19 905.3111 NA PeJP NA NA +PJ074346 GGSNNNNDD C31H47N13O19 905.3112 NA PeJP NA NA +PJ074347 GDEEMYY C39H51N7O16S 905.3113 NA PeJP NA NA +PJ074348 GSCCDEHR C32H51N13O14S2 905.312 NA PeJP NA NA +PJ074349 GGGGGGGGPCCQ C32H51N13O14S2 905.3121 NA PeJP NA NA +PJ074350 PCDMMFY C40H55N7O11S3 905.3122 NA PeJP NA NA +PJ074351 CCCCRRY C33H55N13O9S4 905.3129 NA PeJP NA NA +PJ074352 NNNDDEW C36H47N11O17 905.3152 NA PeJP NA NA +PJ074353 AEMMMMY C37H59N7O11S4 905.3156 NA PeJP NA NA +PJ074354 SCNEMHW C37H51N11O12S2 905.316 NA PeJP NA NA +PJ074355 GGSCEMHW C37H51N11O12S2 905.3161 NA PeJP NA NA +MJ097394 Sulfactin C38H55N11O7S4 905.316875 NA MeJP NA NA +PJ074356 SSSNDEMH C33H51N11O17S 905.3185 NA PeJP NA NA +PJ074357 GPCDDDER C33H51N11O17S 905.3186 NA PeJP NA NA +PJ074358 GSSCCMRY C34H55N11O12S3 905.3194 NA PeJP NA NA +PJ074359 GSCNDHHH C34H47N15O13S 905.3199 NA PeJP NA NA +PJ074360 PPCCDWW C42H51N9O10S2 905.3201 NA PeJP NA NA +PJ074361 SCNQEYY C38H51N9O15S 905.3225 NA PeJP NA NA +PJ074362 SSSSSCYW C38H51N9O15S 905.3226 NA PeJP NA NA +PJ074363 TCCCKYW C39H55N9O10S3 905.3234 NA PeJP NA NA +PJ074364 GGGGCMMFF C39H55N9O10S3 905.3235 NA PeJP NA NA +PJ074365 SSSSSSSDY C34H51N9O20 905.3251 NA PeJP NA NA +PJ074366 SSSSNMMY C35H55N9O15S2 905.3259 NA PeJP NA NA +PJ074367 GGSPPDDMM C35H55N9O15S2 905.326 NA PeJP NA NA +PJ074368 GPNDDDHH C35H47N13O16 905.3264 NA PeJP NA NA +PJ074369 DEMYYW C43H51N7O13S 905.3266 NA PeJP NA NA +PJ074370 CCQKMMY C36H59N9O10S4 905.3268 NA PeJP NA NA +PJ074371 SCCDHRW C36H51N13O11S2 905.3273 NA PeJP NA NA +PJ074372 SSEEEYY C39H51N7O18 905.3291 NA PeJP NA NA +PJ074373 SSSCDDHR C32H51N13O16S 905.3298 NA PeJP NA NA +PJ074374 SPDMMYY C40H55N7O13S2 905.33 NA PeJP NA NA +PJ074375 GNNDDWW C40H47N11O14 905.3304 NA PeJP NA NA +PJ074376 GGGGGDDWW C40H47N11O14 905.3305 NA PeJP NA NA +PJ074377 CNDMMHR C33H55N13O11S3 905.3306 NA PeJP NA NA +PJ074378 GGCDMMHR C33H55N13O11S3 905.3307 NA PeJP NA NA +PJ074379 PCMMMFF C41H59N7O8S4 905.3308 NA PeJP NA NA +PJ074380 GSCMHWW C41H51N11O9S2 905.3313 NA PeJP NA NA +PJ074381 TTEMMMY C37H59N7O13S3 905.3333 NA PeJP NA NA +PJ074382 PCDDDRW C37H51N11O14S 905.3338 NA PeJP NA NA +PJ074383 CLMMMMF C38H63N7O8S5 905.3342 NA PeJP NA NA +PJ074384 GNMMMHW C38H55N11O9S3 905.3347 NA PeJP NA NA +PJ074385 NDDEEER C33H51N11O19 905.3363 NA PeJP NA NA +PJ074386 SSSTCCRY C34H55N11O14S2 905.3372 NA PeJP NA NA +PJ074387 GPDDMWW C42H51N9O12S 905.3378 NA PeJP NA NA +PJ074388 CCCKMRY C35H59N11O9S4 905.338 NA PeJP NA NA +PJ074389 PPPCCCMR C35H59N11O9S4 905.3381 NA PeJP NA NA +PJ074390 CNQMHHH C35H51N15O10S2 905.3385 NA PeJP NA NA +PJ074391 GQEEEEW C38H51N9O17 905.3403 NA PeJP NA NA +PJ074392 GCNNNNDR C31H51N15O15S 905.341 NA PeJP NA NA +PJ074393 GGGGGGGGGCDR C31H51N15O15S 905.3411 NA PeJP NA NA +PJ074394 GSPPCEMW C39H55N9O12S2 905.3412 NA PeJP NA NA +PJ074395 CCCEHRR C32H55N15O10S3 905.3419 NA PeJP NA NA +PJ074396 GSSSSSTMY C35H55N9O17S 905.3437 NA PeJP NA NA +PJ074397 GPDEYYY C43H51N7O15 905.3443 NA PeJP NA NA +PJ074398 GDEEFFY C43H51N7O15 905.3444 NA PeJP NA NA +PJ074399 GSSCKMMY C36H59N9O12S3 905.3446 NA PeJP NA NA +PJ074400 NNNNNMW C36H51N13O13S 905.345 NA PeJP NA NA +PJ074401 GGGGGGNNMW C36H51N13O13S 905.3451 NA PeJP NA NA +PJ074402 EMMFYW C44H55N7O10S2 905.3452 NA PeJP NA NA +PJ074403 ACCMHRW C37H55N13O8S3 905.3459 NA PeJP NA NA +PJ074404 GSNNDDER C32H51N13O18 905.3475 NA PeJP NA NA +PJ074405 DDDDDRR C32H51N13O18 905.3476 NA PeJP NA NA +PJ074406 ATEEMYY C40H55N7O15S 905.3477 NA PeJP NA NA +PJ074407 GSSCEMHR C33H55N13O13S2 905.3484 NA PeJP NA NA +PJ074408 APMMMYY C41H59N7O10S3 905.3486 NA PeJP NA NA +PJ074409 SSTCHWW C41H51N11O11S 905.3491 NA PeJP NA NA +PJ074410 CCNHHHR C34H51N17O9S2 905.3498 NA PeJP NA NA +PJ074411 LEEEEEE C36H55N7O20 905.3502 NA PeJP NA NA +PJ074412 SNNQEEW C37H51N11O16 905.3515 NA PeJP NA NA +PJ074413 GDDEERW C37H51N11O16 905.3516 NA PeJP NA NA +PJ074414 SLMMMMY C38H63N7O10S4 905.3519 NA PeJP NA NA +PJ074415 VTMMMMY C38H63N7O10S4 905.352 NA PeJP NA NA +PJ074416 SSQMMHW C38H55N11O11S2 905.3524 NA PeJP NA NA +PJ074417 GGGGGGPMMW C38H55N11O11S2 905.3525 NA PeJP NA NA +PJ074418 PCEWWW C46H51N9O9S 905.3531 NA PeJP NA NA +PJ074419 GSPDDEMR C34H55N11O16S 905.3549 NA PeJP NA NA +PJ074420 GGGGAAQEEM C34H55N11O16S 905.355 NA PeJP NA NA +PJ074421 QEEEWW C42H51N9O14 905.3556 NA PeJP NA NA +PJ074422 GPPCDMMR C35H59N11O11S3 905.3558 NA PeJP NA NA +PJ074423 GSSNMHHH C35H51N15O12S 905.3563 NA PeJP NA NA +PJ074424 SPPCMWW C43H55N9O9S2 905.3564 NA PeJP NA NA +PJ074425 GCCKFYW C43H55N9O9S2 905.3565 NA PeJP NA NA +MJ097395 Liposidomycin; Liposidomycin A-I, 3-O-Deacyl C38H59N5O18S 905.35758 NA MeJP NA NA +PJ074426 SSQQMYY C39H55N9O14S 905.3589 NA PeJP NA NA +PJ074427 SPQEEMW C39H55N9O14S 905.359 NA PeJP NA NA +PJ074428 PDYYYW C47H51N7O12 905.3596 NA PeJP NA NA +PJ074429 PPNMMMW C40H59N9O9S3 905.3598 NA PeJP NA NA +PJ074430 PCEHHHF C40H51N13O10S 905.3603 NA PeJP NA NA +PJ074431 SSSSSSTTY C35H55N9O19 905.3614 NA PeJP NA NA +PJ074432 NKEEEEE C35H55N9O19 905.3615 NA PeJP NA NA +PJ074433 SSSTCKMY C36H59N9O14S2 905.3623 NA PeJP NA NA +PJ074434 SNNDDRW C36H51N13O15 905.3628 NA PeJP NA NA +PJ074435 PPTCYYY C44H55N7O12S 905.363 NA PeJP NA NA +PJ074436 CCKKMMY C37H63N9O9S4 905.3632 NA PeJP NA NA +PJ074437 SSCMHRW C37H55N13O10S2 905.3637 NA PeJP NA NA +PJ074438 SDHHHHH C37H47N17O11 905.3641 NA PeJP NA NA +PJ074439 CQHFWW C45H51N11O8S 905.3643 NA PeJP NA NA +PJ074440 TTTEEYY C40H55N7O17 905.3655 NA PeJP NA NA +PJ074441 SSSSDMHR C33H55N13O15S 905.3662 NA PeJP NA NA +PJ074442 GLEMMYY C41H59N7O12S2 905.3663 NA PeJP NA NA +PJ074443 DDERWW C41H51N11O13 905.3668 NA PeJP NA NA +PJ074444 SNMMMHR C34H59N13O10S3 905.367 NA PeJP NA NA +PJ074445 GGACCCKKH C34H59N13O10S3 905.3671 NA PeJP NA NA +PJ074446 GMMHHFF C42H55N11O8S2 905.3677 NA PeJP NA NA +PJ074447 SPDDMRW C38H55N11O13S 905.3702 NA PeJP NA NA +PJ074448 AEEWWW C46H51N9O11 905.3708 NA PeJP NA NA +PJ074449 ACKMMHW C39H59N11O8S3 905.3711 NA PeJP NA NA +MJ097396 6'''-O-?-D-Mannopyranosylmannosidostreptomycin C33H59N7O22 905.371316 NA MeJP NA NA +MJ097397 6'''-O-?-D-Mannopyranosylmannosidostreptomycin C33H59N7O22 905.371316 NA MeJP NA NA +PJ074450 SQEEEER C34H55N11O18 905.3727 NA PeJP NA NA +PJ074451 PNEEMMR C35H59N11O13S2 905.3736 NA PeJP NA NA +PJ074452 SSSSQHHH C35H51N15O14 905.374 NA PeJP NA NA +PJ074453 GGGGGAQEHH C35H51N15O14 905.3741 NA PeJP NA NA +PJ074454 GPTEMWW C43H55N9O11S 905.3742 NA PeJP NA NA +PJ074455 GPPCCHHR C36H55N15O9S2 905.3749 NA PeJP NA NA +PJ074456 GKEEEEW C39H55N9O16 905.3767 NA PeJP NA NA +PJ074457 CNNDERR C32H55N15O14S 905.3774 NA PeJP NA NA +PJ074458 PVNEMMW C40H59N9O11S2 905.3776 NA PeJP NA NA +PJ074459 NNNNHFF C40H51N13O12 905.378 NA PeJP NA NA +PJ074460 SPNEHHW C40H51N13O12 905.3781 NA PeJP NA NA +PJ074461 PMFYYW C48H55N7O9S 905.3782 NA PeJP NA NA +PJ074462 TCCMHRR C33H59N15O9S3 905.3783 NA PeJP NA NA +PJ074463 GSPKEEEM C36H59N9O16S 905.3801 NA PeJP NA NA +PJ074464 APTEYYY C44H55N7O14 905.3807 NA PeJP NA NA +PJ074465 APPTQMMM C37H63N9O11S3 905.3809 NA PeJP NA NA +PJ074466 GPPDKMMM C37H63N9O11S3 905.381 NA PeJP NA NA +PJ074467 GNNEMRW C37H55N13O12S 905.3814 NA PeJP NA NA +PJ074468 GGGGGGGACKW C37H55N13O12S 905.3815 NA PeJP NA NA +PJ074469 LMMYYW C45H59N7O9S2 905.3816 NA PeJP NA NA +PJ074470 SNQWWW C45H51N11O10 905.3821 NA PeJP NA NA +PJ074471 AMHHHHH C38H51N17O8S 905.3828 NA PeJP NA NA +PJ074472 SDDEERR C33H55N13O17 905.3839 NA PeJP NA NA +PJ074473 GGGGGGGGSSKE C33H55N13O17 905.384 NA PeJP NA NA +PJ074474 STLEMYY C41H59N7O14S 905.3841 NA PeJP NA NA +PJ074475 PCDEMRR C34H59N13O12S2 905.3848 NA PeJP NA NA +PJ074476 ALMMMFY C42H63N7O9S3 905.385 NA PeJP NA NA +PJ074477 NNNDHHR C34H51N17O13 905.3853 NA PeJP NA NA +PJ074478 QQQMWW C42H55N11O10S 905.3854 NA PeJP NA NA +PJ074479 GGAAQMWW C42H55N11O10S 905.3855 NA PeJP NA NA +PJ074480 ASEEERW C38H55N11O15 905.3879 NA PeJP NA NA +PJ074481 GTEEERW C38H55N11O15 905.388 NA PeJP NA NA +PJ074482 GPEMMRW C39H59N11O10S2 905.3888 NA PeJP NA NA +PJ074483 GNQQHHW C39H51N15O11 905.3893 NA PeJP NA NA +PJ074484 PTMWWW C47H55N9O8S 905.3895 NA PeJP NA NA +PJ074485 VNEEEMR C35H59N11O15S 905.3913 NA PeJP NA NA +PJ074486 KEEEWW C43H55N9O13 905.392 NA PeJP NA NA +PJ074487 GSPPMMMR C36H63N11O10S3 905.3922 NA PeJP NA NA +PJ074488 GCNDRRW C36H55N15O11S 905.3927 NA PeJP NA NA +PJ074489 GPVMMWW C44H59N9O8S2 905.3928 NA PeJP NA NA +PJ074490 GSPHHWW C44H51N13O9 905.3933 NA PeJP NA NA +PJ074491 SSSNNNQR C32H55N15O16 905.3951 NA PeJP NA NA +PJ074492 GSSNDDRR C32H55N15O16 905.3952 NA PeJP NA NA +PJ074493 SPKEEMW C40H59N9O13S 905.3953 NA PeJP NA NA +PJ074494 GAALEEMW C40H59N9O13S 905.3954 NA PeJP NA NA +PJ074495 VEFYYW C48H55N7O11 905.396 NA PeJP NA NA +PJ074496 CCKKMFF C41H63N9O8S3 905.3962 NA PeJP NA NA +PJ074497 NNMRWW C41H55N13O9S 905.3967 NA PeJP NA NA +PJ074498 DKKEEEE C36H59N9O18 905.3978 NA PeJP NA NA +PJ074499 AATKEEEE C36H59N9O18 905.3979 NA PeJP NA NA +PJ074500 AAPKEEMM C37H63N9O13S2 905.3987 NA PeJP NA NA +PJ074501 SSNQERW C37H55N13O14 905.3992 NA PeJP NA NA +PJ074502 GPLMYYY C45H59N7O11S 905.3994 NA PeJP NA NA +PJ074503 LLMMMMH C38H67N9O8S4 905.3996 NA PeJP NA NA +PJ074504 PCCNKRW C38H59N13O9S2 905.4 NA PeJP NA NA +PJ074505 GGPCCKRW C38H59N13O9S2 905.4001 NA PeJP NA NA +PJ074506 TTHHHHH C38H51N17O10 905.4005 NA PeJP NA NA +PJ074507 CKHFWW C46H55N11O7S 905.4007 NA PeJP NA NA +PJ074508 SSSTTMHR C34H59N13O14S 905.4025 NA PeJP NA NA +PJ074509 GEEEMRR C34H59N13O14S 905.4026 NA PeJP NA NA +PJ074510 SVLMMYY C42H63N7O11S2 905.4027 NA PeJP NA NA +PJ074511 TEERWW C42H55N11O12 905.4032 NA PeJP NA NA +PJ074512 TCKMMHR C35H63N13O9S3 905.4034 NA PeJP NA NA +PJ074513 PMMRWW C43H59N11O7S2 905.4041 NA PeJP NA NA +PJ074514 GVEEMRW C39H59N11O12S 905.4066 NA PeJP NA NA +PJ074515 SLEWWW C47H55N9O10 905.4072 NA PeJP NA NA +PJ074516 APCHHRW C40H55N15O8S 905.4079 NA PeJP NA NA +PJ074517 SKEEEER C35H59N11O17 905.4091 NA PeJP NA NA +PJ074518 PDKEMMR C36H63N11O12S2 905.4099 NA PeJP NA NA +PJ074519 GSPVEMMR C36H63N11O12S2 905.41 NA PeJP NA NA +PJ074520 NNNNQFR C36H55N15O13 905.4104 NA PeJP NA NA +PJ074521 GGGGGGGGGAFR C36H55N15O13 905.4105 NA PeJP NA NA +PJ074522 AALEMWW C44H59N9O10S 905.4106 NA PeJP NA NA +PJ074523 PFFFYW C52H55N7O8 905.4112 NA PeJP NA NA +PJ074524 GCMHFRR C37H59N15O8S2 905.4113 NA PeJP NA NA +PJ074525 SVKEEEW C40H59N9O15 905.4131 NA PeJP NA NA +PJ074526 SNNEMRR C33H59N15O13S 905.4138 NA PeJP NA NA +PJ074527 PVDKMMW C41H63N9O10S2 905.414 NA PeJP NA NA +PJ074528 GSSQRWW C41H55N13O11 905.4144 NA PeJP NA NA +PJ074529 GGGGGPRYW C41H55N13O11 905.4145 NA PeJP NA NA +PJ074530 LMFFYW C49H59N7O8S 905.4146 NA PeJP NA NA +PJ074531 LQKEEEM C37H63N9O15S 905.4165 NA PeJP NA NA +PJ074532 GVLEYYY C45H59N7O13 905.4171 NA PeJP NA NA +PJ074533 APPTKMMM C38H67N9O10S3 905.4173 NA PeJP NA NA +PJ074534 GGGPLLMMM C38H67N9O10S3 905.4174 NA PeJP NA NA +PJ074535 EEMRRW C38H59N13O11S 905.4178 NA PeJP NA NA +PJ074536 ALMMFFF C46H63N7O8S2 905.418 NA PeJP NA NA +PJ074537 SNKWWW C46H55N11O9 905.4185 NA PeJP NA NA +PJ074538 STEEERR C34H59N13O16 905.4203 NA PeJP NA NA +PJ074539 SPEMMRR C35H63N13O11S2 905.4212 NA PeJP NA NA +PJ074540 SNQQHHR C35H55N17O12 905.4216 NA PeJP NA NA +PJ074541 GDEHHRR C35H55N17O12 905.4217 NA PeJP NA NA +PJ074542 VEMRWW C43H59N11O9S 905.4218 NA PeJP NA NA +PJ074543 SSLEERW C39H59N11O14 905.4243 NA PeJP NA NA +PJ074544 GGGGAAPKEY C39H59N11O14 905.4244 NA PeJP NA NA +PJ074545 SCNDRRR C32H59N17O12S 905.425 NA PeJP NA NA +PJ074546 SPVMMRW C40H63N11O9S2 905.4252 NA PeJP NA NA +PJ074547 AAEHHRW C40H55N15O10 905.4257 NA PeJP NA NA +PJ074548 VVMWWW C48H59N9O7S 905.4259 NA PeJP NA NA +PJ074549 VDKEEMR C36H63N11O14S 905.4277 NA PeJP NA NA +PJ074550 ATTLEWW C44H59N9O12 905.4283 NA PeJP NA NA +PJ074551 SSVLEWW C44H59N9O12 905.4284 NA PeJP NA NA +PJ074552 PLQMMMR C37H67N11O9S3 905.4286 NA PeJP NA NA +PJ074553 GSNMRRW C37H59N15O10S 905.429 NA PeJP NA NA +PJ074554 GGGSMRRW C37H59N15O10S 905.4291 NA PeJP NA NA +PJ074555 LQHHWW C45H55N13O8 905.4297 NA PeJP NA NA +PJ074556 GSSSQERR C33H59N15O15 905.4315 NA PeJP NA NA +PJ074557 GGGGSSSNKR C33H59N15O15 905.4316 NA PeJP NA NA +PJ074558 ALKEEMW C41H63N9O12S 905.4317 NA PeJP NA NA +PJ074559 VLYYYW C49H59N7O10 905.4324 NA PeJP NA NA +PJ074560 CQKRWW C42H59N13O8S 905.4331 NA PeJP NA NA +PJ074561 GTTLKEEE C37H63N9O17 905.4342 NA PeJP NA NA +PJ074562 GPTLKEMM C38H67N9O12S2 905.4351 NA PeJP NA NA +PJ074563 SSNKERW C38H59N13O13 905.4356 NA PeJP NA NA +PJ074564 GLLMFYY C46H63N7O10S 905.4357 NA PeJP NA NA +PJ074565 PPCMFRR C39H63N13O8S2 905.4364 NA PeJP NA NA +PJ074566 DHHRRW C39H55N17O9 905.4369 NA PeJP NA NA +PJ074567 SVEEMRR C35H63N13O13S 905.4389 NA PeJP NA NA +PJ074568 GGGATKEMR C35H63N13O13S 905.439 NA PeJP NA NA +PJ074569 GSDKKWW C43H59N11O11 905.4396 NA PeJP NA NA +PJ074570 PCLMMRR C36H67N13O8S3 905.4398 NA PeJP NA NA +PJ074571 PTCHHRR C36H59N17O9S 905.4403 NA PeJP NA NA +PJ074572 SVQQKMW C40H63N11O11S 905.4429 NA PeJP NA NA +PJ074573 ATLEMRW C40H63N11O11S 905.443 NA PeJP NA NA +PJ074574 AAPLYWW C48H59N9O9 905.4436 NA PeJP NA NA +PJ074575 GCQMRRR C33H63N17O9S2 905.4437 NA PeJP NA NA +PJ074576 ATTTQQKE C36H63N11O16 905.4454 NA PeJP NA NA +PJ074577 GTTTLEER C36H63N11O16 905.4455 NA PeJP NA NA +PJ074578 VLQEMMR C37H67N11O11S2 905.4463 NA PeJP NA NA +PJ074579 GGGGGVLKMM C37H67N11O11S2 905.4464 NA PeJP NA NA +PJ074580 SSSQRRW C37H59N15O12 905.4468 NA PeJP NA NA +PJ074581 GTLLMWW C45H63N9O9S 905.447 NA PeJP NA NA +PJ074582 LFFFFW C53H59N7O7 905.4476 NA PeJP NA NA +PJ074583 TTLKEEW C41H63N9O14 905.4495 NA PeJP NA NA +PJ074584 SNDKMRR C34H63N15O12S 905.4502 NA PeJP NA NA +PJ074585 VVLQMMW C42H67N9O9S2 905.4503 NA PeJP NA NA +PJ074586 PTLKMMW C42H67N9O9S2 905.4504 NA PeJP NA NA +PJ074587 GSSKRWW C42H59N13O10 905.4508 NA PeJP NA NA +PJ074588 SPTTLKEM C38H67N9O14S 905.4528 NA PeJP NA NA +PJ074589 LKKEEEM C38H67N9O14S 905.4529 NA PeJP NA NA +MJ097398 Dolastatin 13 C46H63N7O12 905.45347 NA MeJP NA NA +PJ074590 ATLLYYY C46H63N7O12 905.4535 NA PeJP NA NA +PJ074591 GPVLKMMM C39H71N9O9S3 905.4537 NA PeJP NA NA +PJ074592 GTQKMRW C39H63N13O10S 905.4542 NA PeJP NA NA +PJ074593 PVRYWW C47H59N11O8 905.4548 NA PeJP NA NA +PJ074594 GPPFFRW C47H59N11O8 905.4549 NA PeJP NA NA +PJ074595 GSSDKKER C35H63N13O15 905.4567 NA PeJP NA NA +PJ074596 ALEMMRR C36H67N13O10S2 905.4576 NA PeJP NA NA +PJ074597 ATEHHRR C36H59N17O11 905.458 NA PeJP NA NA +PJ074598 GGGGTKHHR C36H59N17O11 905.4581 NA PeJP NA NA +PJ074599 QKKMWW C44H63N11O8S 905.4582 NA PeJP NA NA +PJ074600 TTTLERW C40H63N11O13 905.4607 NA PeJP NA NA +PJ074601 SSNMRRR C33H63N17O11S 905.4614 NA PeJP NA NA +PJ074602 GLLMMRW C41H67N11O8S2 905.4616 NA PeJP NA NA +PJ074603 NQFRRW C41H59N15O9 905.4621 NA PeJP NA NA +PJ074604 TLKEEMR C37H67N11O13S 905.4641 NA PeJP NA NA +PJ074605 STTLLWW C45H63N9O11 905.4647 NA PeJP NA NA +PJ074606 GAALLEFW C45H63N9O11 905.4648 NA PeJP NA NA +PJ074607 PLKMMMR C38H71N11O8S3 905.465 NA PeJP NA NA +PJ074608 GTCKRRW C38H63N15O9S 905.4654 NA PeJP NA NA +PJ074609 LKHHWW C46H59N13O7 905.4661 NA PeJP NA NA +PJ074610 GSSSKERR C34H63N15O14 905.4679 NA PeJP NA NA +PJ074611 SLLKEMW C42H67N9O11S 905.4681 NA PeJP NA NA +PJ074612 GLLFFFY C50H63N7O9 905.4688 NA PeJP NA NA +PJ074613 CKKRWW C43H63N13O7S 905.4695 NA PeJP NA NA +PJ074614 SSTLLKEE C38H67N9O16 905.4706 NA PeJP NA NA +PJ074615 AALLKEMM C39H71N9O11S2 905.4715 NA PeJP NA NA +PJ074616 SSDKKRW C39H63N13O12 905.4719 NA PeJP NA NA +PJ074617 GGTTTKRW C39H63N13O12 905.472 NA PeJP NA NA +PJ074618 GPHHFRR C40H59N17O8 905.4733 NA PeJP NA NA +PJ074619 TTLEMRR C36H67N13O12S 905.4753 NA PeJP NA NA +PJ074620 GTTKKWW C44H63N11O10 905.476 NA PeJP NA NA +PJ074621 GLMHHRR C37H63N17O8S 905.4767 NA PeJP NA NA +PJ074622 GSSSTRRR C33H63N17O13 905.4792 NA PeJP NA NA +PJ074623 STLLMRW C41H67N11O10S 905.4793 NA PeJP NA NA +PJ074624 GKKKEMW C41H67N11O10S 905.4794 NA PeJP NA NA +PJ074625 AALLFWW C49H63N9O8 905.48 NA PeJP NA NA +PJ074626 SSTTLLER C37H67N11O15 905.4818 NA PeJP NA NA +PJ074627 GSTKKKEE C37H67N11O15 905.4819 NA PeJP NA NA +PJ074628 VLKEMMR C38H71N11O10S2 905.4827 NA PeJP NA NA +PJ074629 SSSKRRW C38H63N15O11 905.4832 NA PeJP NA NA +PJ074630 PVVKMFW C46H67N9O8S 905.4834 NA PeJP NA NA +PJ074631 SSSTLLLW C42H67N9O13 905.4859 NA PeJP NA NA +PJ074632 STQKMRR C35H67N15O11S 905.4865 NA PeJP NA NA +PJ074633 TTNKMRR C35H67N15O11S 905.4866 NA PeJP NA NA +PJ074634 VVLKMMW C43H71N9O8S2 905.4867 NA PeJP NA NA +PJ074635 LEFRRW C43H63N13O9 905.4872 NA PeJP NA NA +PJ074636 ATTLLKEM C39H71N9O13S 905.4892 NA PeJP NA NA +PJ074637 GTKKMRW C40H67N13O9S 905.4906 NA PeJP NA NA +PJ074638 VLFRWW C48H63N11O7 905.4912 NA PeJP NA NA +PJ074639 GSTTKKER C36H67N13O14 905.4931 NA PeJP NA NA +PJ074640 SLLMMRR C37H71N13O9S2 905.4939 NA PeJP NA NA +PJ074641 GGVKKMMR C37H71N13O9S2 905.494 NA PeJP NA NA +PJ074642 QQRRRY C37H63N17O10 905.4944 NA PeJP NA NA +PJ074643 KKKMWW C45H67N11O7S 905.4946 NA PeJP NA NA +MJ097399 Kurstakin; Kurstakin D C41H67N11O12 905.497066 NA MeJP NA NA +PJ074644 STKKKEW C41H67N11O12 905.4971 NA PeJP NA NA +PJ074645 STCKRRR C34H67N17O10S 905.4978 NA PeJP NA NA +PJ074646 NKFRRW C42H63N15O8 905.4984 NA PeJP NA NA +PJ074647 GGKFRRW C42H63N15O8 905.4985 NA PeJP NA NA +PJ074648 SSSLLLMR C38H71N11O12S 905.5005 NA PeJP NA NA +PJ074649 SPLLKYW C46H67N9O10 905.5011 NA PeJP NA NA +PJ074650 PPLMHRR C39H67N15O8S 905.5018 NA PeJP NA NA +PJ074651 GSTTTKRR C35H67N15O13 905.5043 NA PeJP NA NA +PJ074652 AAPLLKMY C43H71N9O10S 905.5045 NA PeJP NA NA +PJ074653 GKKMMRR C36H71N15O8S2 905.5052 NA PeJP NA NA +PJ074654 GPQHRRR C36H63N19O9 905.5057 NA PeJP NA NA +PJ074655 TTTTLLKE C39H71N9O15 905.507 NA PeJP NA NA +PJ074656 GTLLLKMM C40H75N9O10S2 905.5079 NA PeJP NA NA +PJ074657 STTKKRW C40H67N13O11 905.5083 NA PeJP NA NA +PJ074658 GGGGVLKRY C40H67N13O11 905.5084 NA PeJP NA NA +PJ074659 SKKKEMR C37H71N13O11S 905.5117 NA PeJP NA NA +PJ074660 GVLLRYW C45H67N11O9 905.5124 NA PeJP NA NA +PJ074661 SVKKKMW C42H71N11O9S 905.5157 NA PeJP NA NA +PJ074662 TTTTTLLR C38H71N11O14 905.5182 NA PeJP NA NA +PJ074663 LQKKKMM C39H75N11O9S2 905.5191 NA PeJP NA NA +PJ074664 GVQKRRY C39H67N15O10 905.5196 NA PeJP NA NA +PJ074665 LLLQKEY C43H71N9O12 905.5222 NA PeJP NA NA +PJ074666 GALLLKEY C43H71N9O12 905.5223 NA PeJP NA NA +PJ074667 STKKMRR C36H71N15O10S 905.5229 NA PeJP NA NA +PJ074668 LLRRYW C44H67N13O8 905.5236 NA PeJP NA NA +PJ074669 STTLLLKM C40H75N9O12S 905.5256 NA PeJP NA NA +PJ074670 ALLMFRR C41H71N13O8S 905.527 NA PeJP NA NA +PJ074671 SSSTLKKR C37H71N13O13 905.5295 NA PeJP NA NA +PJ074672 CLKKKMR C38H75N13O8S2 905.5303 NA PeJP NA NA +PJ074673 QKRRRY C38H67N17O9 905.5308 NA PeJP NA NA +PJ074674 VVLKERY C42H71N11O11 905.5335 NA PeJP NA NA +PJ074675 GTTLKKKM C39H75N11O11S 905.5369 NA PeJP NA NA +PJ074676 ALLLKYW C47H71N9O9 905.5375 NA PeJP NA NA +PJ074677 AALLLKMF C44H75N9O9S 905.5409 NA PeJP NA NA +PJ074678 GPKHRRR C37H67N19O8 905.5421 NA PeJP NA NA +PJ074679 SVLLRRY C41H71N13O10 905.5447 NA PeJP NA NA +PJ074680 GSCKKKKK C38H75N13O10S 905.5481 NA PeJP NA NA +PJ074681 AVKKKFW C46H71N11O8 905.5487 NA PeJP NA NA +PJ074682 GLKKKFW C46H71N11O8 905.5488 NA PeJP NA NA +PJ074683 VLLKMFR C43H75N11O8S 905.5521 NA PeJP NA NA +PJ074684 STTTLKKK C39H75N11O13 905.5546 NA PeJP NA NA +PJ074685 LKKKKMM C40H79N11O8S2 905.5555 NA PeJP NA NA +PJ074686 GVKKRRY C40H71N15O9 905.556 NA PeJP NA NA +PJ074687 LLLKKEY C44H75N9O11 905.5586 NA PeJP NA NA +PJ074688 PPPIILKE C44H75N9O11 905.5587 NA PeJP NA NA +PJ074689 KKRRRY C39H71N17O8 905.5672 NA PeJP NA NA +PJ074690 TLLLKRY C43H75N11O10 905.5699 NA PeJP NA NA +PJ074691 ALKKKRY C42H75N13O9 905.5811 NA PeJP NA NA +PJ074692 VLLLHRR C41H75N15O8 905.5923 NA PeJP NA NA +PJ074693 PPLLLLLQ C45H79N9O10 905.595 NA PeJP NA NA +PJ074694 VLKKKKY C44H79N11O9 905.6063 NA PeJP NA NA +PJ074695 PPLLLLLK C46H83N9O9 905.6314 NA PeJP NA NA +MJ097400 Quisqualin B C40H26O25 906.076316 NA MeJP NA NA +MJ097401 4'',6''-Hexahydroxydiphenoylsalidroside; (S)axial-form, 2'',3''-O-(3,4,5-Trihydroxybenzoyl) C42H34O23 906.149087 NA MeJP NA NA +MJ097402 Stenophynin B C42H34O23 906.149087 NA MeJP NA NA +MJ097403 Chondocurine, Di-Me ether; methiodide (1:2) C40H48I2N2O6 906.160174 NA MeJP NA NA +PJ074696 CCCCDDDM C29H46N8O15S5 906.1687 NA PeJP NA NA +PJ074697 GSCCCCCND C28H46N10O14S5 906.1799 NA PeJP NA NA +PJ074698 CCCCCNQM C29H50N10O11S6 906.1985 NA PeJP NA NA +PJ074699 SCCCDDMM C30H50N8O14S5 906.205 NA PeJP NA NA +PJ074700 CCCCCCNR C28H50N12O10S6 906.2098 NA PeJP NA NA +PJ074701 GSSCCCCNM C29H50N10O13S5 906.2163 NA PeJP NA NA +PJ074702 GCCCDDEY C33H46N8O16S3 906.2194 NA PeJP NA NA +PJ074703 PCCCCCEF C34H50N8O11S5 906.2203 NA PeJP NA NA +PJ074704 GCCCEMMM C31H54N8O11S6 906.2237 NA PeJP NA NA +PJ074705 SCCCCDHH C31H46N12O12S4 906.2241 NA PeJP NA NA +PJ074706 PCCCDDDH C32H46N10O15S3 906.2307 NA PeJP NA NA +PJ074707 SSSSCCCCQ C29H50N10O15S4 906.234 NA PeJP NA NA +PJ074708 CCCDDYW C37H46N8O13S3 906.2347 NA PeJP NA NA +PJ074709 CCCCCNKM C30H54N10O10S6 906.2349 NA PeJP NA NA +PJ074710 SSCCDDDY C33H46N8O18S2 906.2372 NA PeJP NA NA +PJ074711 SPCCCCEY C34H50N8O13S4 906.2381 NA PeJP NA NA +PJ074712 CCCMMMW C35H54N8O8S6 906.2389 NA PeJP NA NA +PJ074713 SSCCDMMM C31H54N8O13S5 906.2414 NA PeJP NA NA +PJ074714 ACCCCMHH C32H50N12O9S5 906.2428 NA PeJP NA NA +PJ074715 GCDDDDMH C32H46N10O17S2 906.2484 NA PeJP NA NA +PJ074716 GCCCNNMY C33H50N10O12S4 906.2493 NA PeJP NA NA +PJ074717 GSSSSSSCCC C29H50N10O17S3 906.2518 NA PeJP NA NA +PJ074718 GSTCCCCCK C30H54N10O12S5 906.2527 NA PeJP NA NA +PJ074719 CCCDMFW C38H50N8O10S4 906.2533 NA PeJP NA NA +PJ074720 GSCCDEMY C34H50N8O15S3 906.2558 NA PeJP NA NA +PJ074721 GPCCCMMY C35H54N8O10S5 906.2567 NA PeJP NA NA +PJ074722 SCCNNDDH C31H46N12O16S2 906.2597 NA PeJP NA NA +PJ074723 GTCCMMMM C32H58N8O10S6 906.2601 NA PeJP NA NA +PJ074724 SSCCCMHH C32H50N12O11S4 906.2605 NA PeJP NA NA +PJ074725 CCDDEHW C36H46N10O14S2 906.2637 NA PeJP NA NA +PJ074726 SSCDDDEH C32H46N10O19S 906.2662 NA PeJP NA NA +PJ074727 SSCCCNQY C33H50N10O14S3 906.267 NA PeJP NA NA +PJ074728 GGGGSTCCCY C33H50N10O14S3 906.2671 NA PeJP NA NA +MJ097404 Ampelopsin H C56H42O12 906.267626 NA MeJP NA NA +MJ097405 Flexuosol A C56H42O12 906.267626 NA MeJP NA NA +MJ097406 Hemsleyanol C C56H42O12 906.267626 NA MeJP NA NA +MJ097407 Heyneanol A C56H42O12 906.267626 NA MeJP NA NA +MJ097408 Hopeaphenol C56H42O12 906.267626 NA MeJP NA NA +MJ097409 Miyabenol A C56H42O12 906.267626 NA MeJP NA NA +MJ097410 Vatdiospyroidol C56H42O12 906.267626 NA MeJP NA NA +MJ097411 Vaticaffinol C56H42O12 906.267626 NA MeJP NA NA +MJ097412 Vaticaphenol A C56H42O12 906.267626 NA MeJP NA NA +MJ097413 Viniferol A C56H42O12 906.267626 NA MeJP NA NA +MJ097414 Vitisin A C56H42O12 906.267626 NA MeJP NA NA +MJ097415 Vitisin B C56H42O12 906.267626 NA MeJP NA NA +MJ097416 Vitisin D C56H42O12 906.267626 NA MeJP NA NA +MJ097417 r-2-Viniferin C56H42O12 906.267626 NA MeJP NA NA +PJ074729 CNDDDYY C37H46N8O17S 906.2702 NA PeJP NA NA +PJ074730 SSSSCCCCK C30H54N10O14S4 906.2704 NA PeJP NA NA +PJ074731 SCCDMYW C38H50N8O12S3 906.2711 NA PeJP NA NA +PJ074732 SPDDDDDE C33H46N8O22 906.2727 NA PeJP NA NA +PJ074733 SSSCDDMY C34H50N8O17S2 906.2736 NA PeJP NA NA +PJ074734 CNDMMMY C35H54N8O12S4 906.2744 NA PeJP NA NA +PJ074735 SSSCMMMM C32H58N8O12S5 906.2778 NA PeJP NA NA +PJ074736 GCCNNEMH C32H50N12O13S3 906.2783 NA PeJP NA NA +PJ074737 GCCCNNFF C37H50N10O11S3 906.2823 NA PeJP NA NA +PJ074738 GNNDDDEE C32H46N10O21 906.2839 NA PeJP NA NA +PJ074739 GGGNDDDEE C32H46N10O21 906.284 NA PeJP NA NA +PJ074740 GSSSSCCNY C33H50N10O16S2 906.2848 NA PeJP NA NA +PJ074741 CCCEMRY C34H54N10O11S4 906.2857 NA PeJP NA NA +PJ074742 GSPCCDYY C38H50N8O14S2 906.2888 NA PeJP NA NA +PJ074743 GCCCNDHR C31H50N14O12S3 906.2895 NA PeJP NA NA +PJ074744 ACCMMYW C39H54N8O9S4 906.2897 NA PeJP NA NA +PJ074745 GPDDDEEM C34H50N8O19S 906.2913 NA PeJP NA NA +PJ074746 GSSCEMMY C35H54N8O14S3 906.2922 NA PeJP NA NA +PJ074747 CNMMMMF C36H58N8O9S5 906.2931 NA PeJP NA NA +PJ074748 CCNNMHW C36H50N12O10S3 906.2935 NA PeJP NA NA +PJ074749 GGGGCCMHW C36H50N12O10S3 906.2936 NA PeJP NA NA +PJ074750 SNNNNDDD C31H46N12O20 906.2952 NA PeJP NA NA +PJ074751 SSCNNDMH C32H50N12O15S2 906.296 NA PeJP NA NA +PJ074752 GGGGSSCDMH C32H50N12O15S2 906.2961 NA PeJP NA NA +PJ074753 PCCCCNKH C33H54N12O10S4 906.2969 NA PeJP NA NA +PJ074754 NNDDDEW C36H46N10O18 906.2992 NA PeJP NA NA +PJ074755 CCNNQYY C37H50N10O13S2 906.3 NA PeJP NA NA +PJ074756 SCDEMHW C37H50N10O13S2 906.3001 NA PeJP NA NA +PJ074757 PCCMMHW C38H54N10O8S4 906.3009 NA PeJP NA NA +PJ074758 SSSDDEMH C33H50N10O18S 906.3026 NA PeJP NA NA +PJ074759 SSCCCNKY C34H54N10O13S3 906.3034 NA PeJP NA NA +PJ074760 GGGGPPCCEM C34H54N10O13S3 906.3035 NA PeJP NA NA +PJ074761 GSCDDHHH C34H46N14O14S 906.3039 NA PeJP NA NA +PJ074762 GCCEFYW C42H50N8O11S2 906.3041 NA PeJP NA NA +PJ074763 APCCCHHH C35H50N14O9S3 906.3048 NA PeJP NA NA +PJ074764 PDDDEMW C38H50N8O16S 906.3066 NA PeJP NA NA +PJ074765 SSCMMYW C39H54N8O11S3 906.3074 NA PeJP NA NA +PJ074766 GAPCCMYY C39H54N8O11S3 906.3075 NA PeJP NA NA +PJ074767 NEEEEEE C34H50N8O21 906.3091 NA PeJP NA NA +PJ074768 SSSSDMMY C35H54N8O16S2 906.3099 NA PeJP NA NA +PJ074769 SPPDDDMM C35H54N8O16S2 906.31 NA PeJP NA NA +PJ074770 GPDDDDHH C35H46N12O17 906.3104 NA PeJP NA NA +PJ074771 SNMMMMY C36H58N8O11S4 906.3108 NA PeJP NA NA +PJ074772 GSSCCQHW C36H50N12O12S2 906.3113 NA PeJP NA NA +PJ074773 GSSSSCNEH C32H50N12O17S 906.3138 NA PeJP NA NA +PJ074774 GNDDDWW C40H46N10O15 906.3145 NA PeJP NA NA +PJ074775 CDDMMHR C33H54N12O12S3 906.3147 NA PeJP NA NA +PJ074776 PCCDHFW C41H50N10O10S2 906.3153 NA PeJP NA NA +PJ074777 GSPCNDEW C37H50N10O15S 906.3178 NA PeJP NA NA +PJ074778 GDMMMHW C38H54N10O10S3 906.3187 NA PeJP NA NA +PJ074779 CCFYWW C46H50N8O8S2 906.3193 NA PeJP NA NA +PJ074780 DDDEEER C33H50N10O20 906.3203 NA PeJP NA NA +PJ074781 GSSEEMMH C34H54N10O15S2 906.3212 NA PeJP NA NA +PJ074782 GSCEYYW C42H50N8O13S 906.3218 NA PeJP NA NA +PJ074783 GGCDDFFF C42H50N8O13S 906.3219 NA PeJP NA NA +PJ074784 TCCMMRY C35H58N10O10S4 906.3221 NA PeJP NA NA +PJ074785 CNEMHHH C35H50N14O11S2 906.3225 NA PeJP NA NA +PJ074786 ACCMFFW C43H54N8O8S3 906.3227 NA PeJP NA NA +PJ074787 GEEEEEW C38H50N8O18 906.3243 NA PeJP NA NA +PJ074788 GPPDDDEY C38H50N8O18 906.3244 NA PeJP NA NA +PJ074789 GCNNNDDR C31H50N14O16S 906.325 NA PeJP NA NA +PJ074790 GGGGGCNDDR C31H50N14O16S 906.3251 NA PeJP NA NA +PJ074791 GNEMMYY C39H54N8O13S2 906.3252 NA PeJP NA NA +PJ074792 GSCCNMHR C32H54N14O11S3 906.3259 NA PeJP NA NA +PJ074793 CCNHHFF C40H50N12O9S2 906.3265 NA PeJP NA NA +PJ074794 GGCCHHFF C40H50N12O9S2 906.3266 NA PeJP NA NA +PJ074795 GSPEEEEM C35H54N8O18S 906.3277 NA PeJP NA NA +PJ074796 GSSTMMMY C36H58N8O13S3 906.3286 NA PeJP NA NA +PJ074797 SSSSCNHW C36H50N12O14S 906.329 NA PeJP NA NA +PJ074798 GGSSSSCHW C36H50N12O14S 906.3291 NA PeJP NA NA +PJ074799 CCCQKHW C37H54N12O9S3 906.3299 NA PeJP NA NA +PJ074800 SSSSSSNDH C32H50N12O19 906.3315 NA PeJP NA NA +PJ074801 GSNDDDER C32H50N12O19 906.3316 NA PeJP NA NA +PJ074802 GPCNDDMR C33H54N12O14S2 906.3324 NA PeJP NA NA +PJ074803 GGGGGGGGPTCM C33H54N12O14S2 906.3325 NA PeJP NA NA +PJ074804 SPCNDWW C41H50N10O12S 906.3331 NA PeJP NA NA +PJ074805 CCDHHHR C34H50N16O10S2 906.3338 NA PeJP NA NA +PJ074806 SNNEEEW C37H50N10O17 906.3356 NA PeJP NA NA +PJ074807 SSEMMHW C38H54N10O12S2 906.3364 NA PeJP NA NA +PJ074808 GGPNDMMW C38H54N10O12S2 906.3365 NA PeJP NA NA +PJ074809 SCYYWW C46H50N8O10S 906.3371 NA PeJP NA NA +PJ074810 GCMHHHW C39H50N14O8S2 906.3378 NA PeJP NA NA +PJ074811 SSSTEEMH C34H54N10O17S 906.3389 NA PeJP NA NA +PJ074812 GGQQEEEM C34H54N10O17S 906.339 NA PeJP NA NA +PJ074813 EEEEWW C42H50N8O15 906.3396 NA PeJP NA NA +PJ074814 TQEMMMH C35H58N10O12S3 906.3398 NA PeJP NA NA +PJ074815 GSSDMHHH C35H50N14O13S 906.3403 NA PeJP NA NA +PJ074816 NMMYYW C43H54N8O10S2 906.3405 NA PeJP NA NA +PJ074817 GSSSNNNNN C31H50N14O18 906.3428 NA PeJP NA NA +PJ074818 SPEEEMW C39H54N8O15S 906.343 NA PeJP NA NA +PJ074819 SSSCCQHR C32H54N14O13S2 906.3437 NA PeJP NA NA +PJ074820 PPDMMMW C40H58N8O10S3 906.3438 NA PeJP NA NA +PJ074821 GCNNQWW C40H50N12O11S 906.3443 NA PeJP NA NA +PJ074822 DKEEEEE C35H54N8O20 906.3455 NA PeJP NA NA +PJ074823 SSSTTMMY C36H58N8O15S2 906.3463 NA PeJP NA NA +PJ074824 AAPEEEMM C36H58N8O15S2 906.3464 NA PeJP NA NA +PJ074825 SNDDDRW C36H50N12O16 906.3468 NA PeJP NA NA +PJ074826 TCKMMMY C37H62N8O10S4 906.3472 NA PeJP NA NA +PJ074827 PCCNERW C37H54N12O11S2 906.3477 NA PeJP NA NA +PJ074828 CEHFWW C45H50N10O9S 906.3483 NA PeJP NA NA +PJ074829 NNDEEMR C33H54N12O16S 906.3502 NA PeJP NA NA +PJ074830 GSNEEWW C41H50N10O14 906.3508 NA PeJP NA NA +PJ074831 GGGGPDDFW C41H50N10O14 906.3509 NA PeJP NA NA +PJ074832 SDMMMHR C34H58N12O11S3 906.351 NA PeJP NA NA +PJ074833 SPPCCNMR C34H58N12O11S3 906.3511 NA PeJP NA NA +PJ074834 GPCQMWW C42H54N10O9S2 906.3517 NA PeJP NA NA +PJ074835 GQQEEMW C38H54N10O14S 906.3542 NA PeJP NA NA +PJ074836 NDFYYW C46H50N8O12 906.3548 NA PeJP NA NA +PJ074837 GGDFYYW C46H50N8O12 906.3549 NA PeJP NA NA +PJ074838 ATMMMHW C39H58N10O9S3 906.3551 NA PeJP NA NA +PJ074839 STCHHHW C39H50N14O10S 906.3555 NA PeJP NA NA +PJ074840 GGPCNHHW C39H50N14O10S 906.3556 NA PeJP NA NA +PJ074841 SEEEEER C34H54N10O19 906.3567 NA PeJP NA NA +PJ074842 PDEEMMR C35H58N10O14S2 906.3576 NA PeJP NA NA +PJ074843 GNNNNNNF C35H50N14O15 906.358 NA PeJP NA NA +PJ074844 GGGGGNNNNF C35H50N14O15 906.3581 NA PeJP NA NA +PJ074845 GSTMYYW C43H54N8O12S 906.3582 NA PeJP NA NA +PJ074846 VQMMMMH C36H62N10O9S4 906.3584 NA PeJP NA NA +PJ074847 GGLMMMMH C36H62N10O9S4 906.3585 NA PeJP NA NA +PJ074848 CCNQHFR C36H54N14O10S2 906.3589 NA PeJP NA NA +PJ074849 SVEEEEW C39H54N8O17 906.3607 NA PeJP NA NA +PJ074850 CNDDERR C32H54N14O15S 906.3614 NA PeJP NA NA +PJ074851 GGGGGGGGGGSCK C32H54N14O15S 906.3615 NA PeJP NA NA +PJ074852 PVDEMMW C40H58N8O12S2 906.3616 NA PeJP NA NA +PJ074853 SSNNNWW C40H50N12O13 906.3621 NA PeJP NA NA +PJ074854 GTCCCKHR C33H58N14O10S3 906.3623 NA PeJP NA NA +PJ074855 GPCCRWW C41H54N12O8S2 906.3629 NA PeJP NA NA +PJ074856 LQEEEEM C36H58N8O17S 906.3641 NA PeJP NA NA +PJ074857 APPTEMMM C37H62N8O12S3 906.365 NA PeJP NA NA +PJ074858 GNDEMRW C37H54N12O13S 906.3654 NA PeJP NA NA +PJ074859 GGGDEMRW C37H54N12O13S 906.3655 NA PeJP NA NA +PJ074860 SNEWWW C45H50N10O11 906.3661 NA PeJP NA NA +PJ074861 CCCKKHW C38H58N12O8S3 906.3663 NA PeJP NA NA +PJ074862 GSSNEEER C33H54N12O18 906.3679 NA PeJP NA NA +PJ074863 GGGSSEEER C33H54N12O18 906.368 NA PeJP NA NA +PJ074864 GSPNDMMR C34H58N12O13S2 906.3688 NA PeJP NA NA +PJ074865 NNDDHHR C34H50N16O14 906.3693 NA PeJP NA NA +PJ074866 QQEMWW C42H54N10O11S 906.3695 NA PeJP NA NA +PJ074867 AMMMMHR C35H62N12O8S4 906.3697 NA PeJP NA NA +PJ074868 SCMHHHR C35H54N16O9S2 906.3702 NA PeJP NA NA +PJ074869 SSPPNNEY C38H54N10O16 906.3719 NA PeJP NA NA +PJ074870 SNDKEEW C38H54N10O16 906.372 NA PeJP NA NA +PJ074871 TTTMMHW C39H58N10O11S2 906.3728 NA PeJP NA NA +PJ074872 GGGGGPPMMF C39H58N10O11S2 906.3729 NA PeJP NA NA +PJ074873 GNQEHHW C39H50N14O12 906.3733 NA PeJP NA NA +PJ074874 NMFFYW C47H54N8O9S 906.3735 NA PeJP NA NA +PJ074875 VDEEEMR C35H58N10O16S 906.3753 NA PeJP NA NA +PJ074876 GGGAKEEEM C35H58N10O16S 906.3754 NA PeJP NA NA +PJ074877 SSTTYYW C43H54N8O14 906.376 NA PeJP NA NA +PJ074878 TKEMMMH C36H62N10O11S3 906.3762 NA PeJP NA NA +PJ074879 GCDDRRW C36H54N14O12S 906.3767 NA PeJP NA NA +PJ074880 VCNMFFF C44H58N8O9S2 906.3768 NA PeJP NA NA +PJ074881 PCCKFFY C44H58N8O9S2 906.3769 NA PeJP NA NA +PJ074882 GSSDDDRR C32H54N14O17 906.3792 NA PeJP NA NA +PJ074883 SSKEMYY C40H58N8O14S 906.3793 NA PeJP NA NA +PJ074884 ALEEEMW C40H58N8O14S 906.3794 NA PeJP NA NA +PJ074885 ASPCCDRR C33H58N14O12S2 906.38 NA PeJP NA NA +PJ074886 GSPCCERR C33H58N14O12S2 906.3801 NA PeJP NA NA +PJ074887 GKMMMFY C41H62N8O9S3 906.3802 NA PeJP NA NA +PJ074888 NDMRWW C41H54N12O10S 906.3807 NA PeJP NA NA +PJ074889 GSWWWW C49H50N10O8 906.3813 NA PeJP NA NA +PJ074890 GTTLEEEE C36H58N8O19 906.3819 NA PeJP NA NA +PJ074891 GPTLEEMM C37H62N8O14S2 906.3827 NA PeJP NA NA +PJ074892 SSNEERW C37H54N12O15 906.3832 NA PeJP NA NA +PJ074893 GPPLMMMM C38H66N8O9S4 906.3836 NA PeJP NA NA +PJ074894 SPCQMRW C38H58N12O10S2 906.3841 NA PeJP NA NA +PJ074895 PNEHHHH C38H50N16O11 906.3845 NA PeJP NA NA +PJ074896 GGPEHHHH C38H50N16O11 906.3846 NA PeJP NA NA +PJ074897 AQMWWW C46H54N10O8S 906.3847 NA PeJP NA NA +PJ074898 SQQEEMR C34H58N12O15S 906.3866 NA PeJP NA NA +MJ097418 Antibiotic RP 6798 C42H54N10O13 906.387181 NA MeJP NA NA +PJ074899 GSDKEWW C42H54N10O13 906.3872 NA PeJP NA NA +PJ074900 TTMMMHR C35H62N12O10S3 906.3874 NA PeJP NA NA +PJ074901 GGGAPMMMR C35H62N12O10S3 906.3875 NA PeJP NA NA +PJ074902 GSPCNHHR C35H54N16O11S 906.3879 NA PeJP NA NA +PJ074903 GPCKMWW C43H58N10O8S2 906.3881 NA PeJP NA NA +PJ074904 NQHHWW C43H50N14O9 906.3886 NA PeJP NA NA +PJ074905 GQKEEMW C39H58N10O13S 906.3906 NA PeJP NA NA +PJ074906 VNYYYW C47H54N8O11 906.3912 NA PeJP NA NA +PJ074907 CNNNMRR C32H58N16O11S2 906.3913 NA PeJP NA NA +PJ074908 AQMHHHF C40H54N14O9S 906.3919 NA PeJP NA NA +PJ074909 GSTQKEEE C35H58N10O18 906.3931 NA PeJP NA NA +PJ074910 LQQQEMM C36H62N10O13S2 906.3939 NA PeJP NA NA +PJ074911 SSTTLMMH C36H62N10O13S2 906.394 NA PeJP NA NA +PJ074912 GSSSNNRW C36H54N14O14 906.3944 NA PeJP NA NA +PJ074913 GGGGGGNEFR C36H54N14O14 906.3945 NA PeJP NA NA +PJ074914 PPVDMYW C44H58N8O11S 906.3946 NA PeJP NA NA +PJ074915 VKMMMMH C37H66N10O8S4 906.3948 NA PeJP NA NA +PJ074916 SPCCRRW C37H58N14O9S2 906.3953 NA PeJP NA NA +PJ074917 ACRWWW C45H54N12O7S 906.396 NA PeJP NA NA +PJ074918 TTLEEEW C40H58N8O16 906.3971 NA PeJP NA NA +PJ074919 SNDEMRR C33H58N14O14S 906.3978 NA PeJP NA NA +PJ074920 PTLEMMW C41H62N8O11S2 906.398 NA PeJP NA NA +PJ074921 GNQQQFW C41H54N12O12 906.3984 NA PeJP NA NA +PJ074922 GSSERWW C41H54N12O12 906.3985 NA PeJP NA NA +PJ074923 PCNMMRR C34H62N14O9S3 906.3987 NA PeJP NA NA +PJ074924 MMHFRW C42H58N12O7S2 906.3993 NA PeJP NA NA +PJ074925 GPHHHHW C42H50N16O8 906.3998 NA PeJP NA NA +PJ074926 LKEEEEM C37H62N8O16S 906.4005 NA PeJP NA NA +PJ074927 SPPTLMMM C38H66N8O11S3 906.4013 NA PeJP NA NA +PJ074928 GPVLEMMM C38H66N8O11S3 906.4014 NA PeJP NA NA +PJ074929 GTQEMRW C38H58N12O12S 906.4018 NA PeJP NA NA +PJ074930 GGGGGGAPCKF C38H58N12O12S 906.4019 NA PeJP NA NA +PJ074931 SDKWWW C46H54N10O10 906.4025 NA PeJP NA NA +PJ074932 ACHHHFR C39H54N16O8S 906.4032 NA PeJP NA NA +PJ074933 GSSDKEER C34H58N12O17 906.4043 NA PeJP NA NA +PJ074934 VNQEMMR C35H62N12O12S2 906.4052 NA PeJP NA NA +PJ074935 SNQEHHR C35H54N16O13 906.4057 NA PeJP NA NA +PJ074936 QKEMWW C43H58N10O10S 906.4058 NA PeJP NA NA +PJ074937 GAKEMWW C43H58N10O10S 906.4059 NA PeJP NA NA +PJ074938 NFFFFW C51H54N8O8 906.4065 NA PeJP NA NA +PJ074939 STQKEEW C39H58N10O15 906.4083 NA PeJP NA NA +PJ074940 GGTTKEEW C39H58N10O15 906.4084 NA PeJP NA NA +PJ074941 SCDDRRR C32H58N16O13S 906.409 NA PeJP NA NA +PJ074942 GGGGGSTCRR C32H58N16O13S 906.4091 NA PeJP NA NA +PJ074943 SPQKMMW C40H62N10O10S2 906.4092 NA PeJP NA NA +MJ097419 15-Hydroxy-16-kauren-19-oic acid, Glycoside C42H66O21 906.409659 NA MeJP NA NA +PJ074944 GNNNFRW C40H54N14O11 906.4097 NA PeJP NA NA +PJ074945 TLEEEMR C36H62N10O15S 906.4117 NA PeJP NA NA +PJ074946 APLEEYW C44H58N8O13 906.4124 NA PeJP NA NA +PJ074947 PLEMMMR C37H66N10O10S3 906.4126 NA PeJP NA NA +PJ074948 SCNNKRW C37H58N14O11S 906.413 NA PeJP NA NA +PJ074949 GSDMRRW C37H58N14O11S 906.4131 NA PeJP NA NA +PJ074950 PPVMMFW C45H62N8O8S2 906.4132 NA PeJP NA NA +PJ074951 SSRWWW C45H54N12O9 906.4137 NA PeJP NA NA +PJ074952 SSSSQQQR C33H58N14O16 906.4155 NA PeJP NA NA +PJ074953 GSSSEERR C33H58N14O16 906.4156 NA PeJP NA NA +PJ074954 SLLEEMW C41H62N8O13S 906.4157 NA PeJP NA NA +PJ074955 AAPLEEMF C41H62N8O13S 906.4158 NA PeJP NA NA +PJ074956 GQEMMRR C34H62N14O11S2 906.4164 NA PeJP NA NA +PJ074957 GGGGGGKMMR C34H62N14O11S2 906.4165 NA PeJP NA NA +PJ074958 PVLMMMW C42H66N8O8S3 906.4166 NA PeJP NA NA +PJ074959 TQMRWW C42H58N12O9S 906.4171 NA PeJP NA NA +PJ074960 SSTLLEEE C37H62N8O18 906.4182 NA PeJP NA NA +PJ074961 AALLEEMM C38H66N8O13S2 906.4191 NA PeJP NA NA +PJ074962 SSDKERW C38H58N12O14 906.4196 NA PeJP NA NA +PJ074963 SPCKMRW C39H62N12O9S2 906.4204 NA PeJP NA NA +PJ074964 GVQMMRW C39H62N12O9S2 906.4205 NA PeJP NA NA +PJ074965 GSQHHRW C39H54N16O10 906.4209 NA PeJP NA NA +PJ074966 AKMWWW C47H58N10O7S 906.4211 NA PeJP NA NA +PJ074967 SQKEEMR C35H62N12O14S 906.4229 NA PeJP NA NA +PJ074968 GGTKEEMR C35H62N12O14S 906.423 NA PeJP NA NA +PJ074969 GTTKEWW C43H58N10O12 906.4236 NA PeJP NA NA +PJ074970 PNKMMMR C36H66N12O9S3 906.4238 NA PeJP NA NA +PJ074971 AQQMHHR C36H58N16O10S 906.4243 NA PeJP NA NA +PJ074972 NKHHWW C44H54N14O8 906.4249 NA PeJP NA NA +PJ074973 GGKHHWW C44H54N14O8 906.425 NA PeJP NA NA +PJ074974 SSSSNNRR C32H58N16O15 906.4268 NA PeJP NA NA +PJ074975 GKKEEMW C40H62N10O12S 906.427 NA PeJP NA NA +PJ074976 TKFYYW C48H58N8O10 906.4276 NA PeJP NA NA +PJ074977 GCEMRRR C33H62N16O10S2 906.4277 NA PeJP NA NA +PJ074978 TCRRWW C41H58N14O8S 906.4283 NA PeJP NA NA +PJ074979 GSTKKEEE C36H62N10O17 906.4295 NA PeJP NA NA +PJ074980 VLEEMMR C37H66N10O12S2 906.4303 NA PeJP NA NA +PJ074981 GSPKKEMM C37H66N10O12S2 906.4304 NA PeJP NA NA +MJ097420 3,12-Dihydroxypentadecanoic acid; 12-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] C39H70O23 906.430788 NA MeJP NA NA +MJ097421 4,12-Dihydroxypentadecanoic acid; 12-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] C39H70O23 906.430788 NA MeJP NA NA +PJ074982 SSSERRW C37H58N14O13 906.4308 NA PeJP NA NA +PJ074983 GGGGGGGAAPLH C37H58N14O13 906.4309 NA PeJP NA NA +PJ074984 PPTLMYW C45H62N8O10S 906.431 NA PeJP NA NA +PJ074985 QMMRRW C38H62N14O8S2 906.4317 NA PeJP NA NA +PJ074986 SPHHHHR C38H54N18O9 906.4322 NA PeJP NA NA +PJ074987 PLKEEEY C41H62N8O15 906.4335 NA PeJP NA NA +PJ074988 STQEMRR C34H62N14O13S 906.4342 NA PeJP NA NA +PJ074989 VVLEMMW C42H66N8O10S2 906.4344 NA PeJP NA NA +PJ074990 GTTTRWW C42H58N12O11 906.4348 NA PeJP NA NA +PJ074991 GGGVEFRW C42H58N12O11 906.4349 NA PeJP NA NA +PJ074992 GNMHHRR C35H58N18O9S 906.4355 NA PeJP NA NA +PJ074993 ATTLLEEM C38H66N8O15S 906.4369 NA PeJP NA NA +PJ074994 APTLLMMM C39H70N8O10S3 906.4377 NA PeJP NA NA +PJ074995 GTKEMRW C39H62N12O11S 906.4382 NA PeJP NA NA +PJ074996 TTKWWW C47H58N10O9 906.4389 NA PeJP NA NA +PJ074997 GSTTKEER C35H62N12O16 906.4407 NA PeJP NA NA +PJ074998 VNKEMMR C36H66N12O11S2 906.4416 NA PeJP NA NA +PJ074999 GNNQRRY C36H58N16O12 906.442 NA PeJP NA NA +PJ075000 GGGNQRRY C36H58N16O12 906.4421 NA PeJP NA NA +PJ075001 KKEMWW C44H62N10O9S 906.4422 NA PeJP NA NA +PJ075002 CMRRRW C37H62N16O7S2 906.4429 NA PeJP NA NA +PJ075003 STKKEEW C40H62N10O14 906.4447 NA PeJP NA NA +PJ075004 GGGGAALLEY C40H62N10O14 906.4448 NA PeJP NA NA +PJ075005 SSDMRRR C33H62N16O12S 906.4454 NA PeJP NA NA +PJ075006 SPKKMMW C41H66N10O9S2 906.4456 NA PeJP NA NA +PJ075007 NEFRRW C41H58N14O10 906.4461 NA PeJP NA NA +PJ075008 DKKKEEM C37H66N10O14S 906.4481 NA PeJP NA NA +PJ075009 SPLLEYW C45H62N8O12 906.4487 NA PeJP NA NA +PJ075010 PVTLEYW C45H62N8O12 906.4488 NA PeJP NA NA +PJ075011 AAPKKMMM C38H70N10O9S3 906.449 NA PeJP NA NA +PJ075012 GTTMRRW C38H62N14O10S 906.4494 NA PeJP NA NA +PJ075013 GGAPMRRY C38H62N14O10S 906.4495 NA PeJP NA NA +PJ075014 VNFRWW C46H58N12O8 906.4501 NA PeJP NA NA +PJ075015 GSTTTERR C34H62N14O15 906.4519 NA PeJP NA NA +PJ075016 GGGGSSTTKR C34H62N14O15 906.452 NA PeJP NA NA +PJ075017 AAPLLEMY C42H66N8O12S 906.4521 NA PeJP NA NA +PJ075018 GKEMMRR C35H66N14O10S2 906.4528 NA PeJP NA NA +PJ075019 SSQHHRR C35H58N18O11 906.4533 NA PeJP NA NA +PJ075020 TKMRWW C43H62N12O8S 906.4535 NA PeJP NA NA +PJ075021 TTTTLLEE C38H66N8O17 906.4546 NA PeJP NA NA +PJ075022 GTLLLEMM C39H70N8O12S2 906.4555 NA PeJP NA NA +PJ075023 STTKERW C39H62N12O13 906.456 NA PeJP NA NA +PJ075024 GVKMMRW C40H66N12O8S2 906.4568 NA PeJP NA NA +PJ075025 GSKHHRW C40H58N16O9 906.4573 NA PeJP NA NA +PJ075026 SKKEEMR C36H66N12O13S 906.4593 NA PeJP NA NA +PJ075027 GGGSDKKKM C36H66N12O13S 906.4594 NA PeJP NA NA +PJ075028 SSTLKWW C44H62N10O11 906.46 NA PeJP NA NA +PJ075029 GPCRRRY C37H62N16O9S 906.4607 NA PeJP NA NA +PJ075030 GFRRWW C45H58N14O7 906.4613 NA PeJP NA NA +PJ075031 SVKKEMW C41H66N10O11S 906.4634 NA PeJP NA NA +PJ075032 PPVVFYW C49H62N8O9 906.464 NA PeJP NA NA +PJ075033 GTMMRRR C34H66N16O9S2 906.4641 NA PeJP NA NA +PJ075034 STTTLQKE C37H66N10O16 906.4658 NA PeJP NA NA +PJ075035 SSSLKKEE C37H66N10O16 906.4659 NA PeJP NA NA +PJ075036 LQKKEMM C38H70N10O11S2 906.4667 NA PeJP NA NA +PJ075037 STTTRRW C38H62N14O12 906.4672 NA PeJP NA NA +PJ075038 PVVLMYW C46H66N8O9S 906.4674 NA PeJP NA NA +PJ075039 KMMRRW C39H66N14O7S2 906.4681 NA PeJP NA NA +PJ075040 ALHHHHR C39H58N18O8 906.4686 NA PeJP NA NA +PJ075041 LLLQEEY C42H66N8O14 906.4699 NA PeJP NA NA +PJ075042 STKEMRR C35H66N14O12S 906.4706 NA PeJP NA NA +PJ075043 TLLLMMW C43H70N8O9S2 906.4708 NA PeJP NA NA +PJ075044 GPTKRYW C43H62N12O10 906.4712 NA PeJP NA NA +PJ075045 ACKHHRR C36H62N18O8S 906.4719 NA PeJP NA NA +PJ075046 STTLLLEM C39H70N8O14S 906.4733 NA PeJP NA NA +PJ075047 GVLLLMMM C40H74N8O9S3 906.4741 NA PeJP NA NA +PJ075048 SSLKMRW C40H66N12O10S 906.4746 NA PeJP NA NA +PJ075049 PKKYWW C48H62N10O8 906.4752 NA PeJP NA NA +PJ075050 GALKFWW C48H62N10O8 906.4753 NA PeJP NA NA +PJ075051 SSSTLKER C36H66N12O15 906.4771 NA PeJP NA NA +PJ075052 VDKKMMR C37H70N12O10S2 906.478 NA PeJP NA NA +PJ075053 QERRRY C37H62N16O11 906.4784 NA PeJP NA NA +PJ075054 GGGGGKRRY C37H62N16O11 906.4785 NA PeJP NA NA +PJ075055 APKKMFW C45H66N10O8S 906.4786 NA PeJP NA NA +PJ075056 SSSSLLKW C41H66N10O13 906.4811 NA PeJP NA NA +PJ075057 STTMRRR C34H66N16O11S 906.4818 NA PeJP NA NA +PJ075058 ALKKMMW C42H70N10O8S2 906.482 NA PeJP NA NA +MJ097422 3,14-Clerodadiene-6,13-diol, 6-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside], 13-O-[?-L-rhamnopyranosyl-(1?4)-?-D-fucopyranoside] C44H74O19 906.48243 NA MeJP NA NA +MJ097423 Furostane-2,3,22,26-tetrol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C44H74O19 906.48243 NA MeJP NA NA +PJ075059 VQRRYW C42H62N14O9 906.4825 NA PeJP NA NA +PJ075060 GTTLKKEM C38H70N10O13S 906.4845 NA PeJP NA NA +PJ075061 ALLLEYW C46H66N8O11 906.4851 NA PeJP NA NA +MJ097424 Aselacin A; 9''-Ketone C46H66N8O11 906.485104 NA MeJP NA NA +PJ075062 AAPILEFF C46H66N8O11 906.4852 NA PeJP NA NA +PJ075063 LLLMMMR C39H74N10O8S3 906.4854 NA PeJP NA NA +PJ075064 GPKMRRY C39H66N14O9S 906.4858 NA PeJP NA NA +PJ075065 SSSTTLRR C35H66N14O14 906.4883 NA PeJP NA NA +PJ075066 GPTLLLMY C43H70N8O11S 906.4885 NA PeJP NA NA +PJ075067 SVKMMRR C36H70N14O9S2 906.4892 NA PeJP NA NA +PJ075068 GPEHRRR C36H62N18O10 906.4897 NA PeJP NA NA +PJ075069 SSLLLLMM C40H74N8O11S2 906.4919 NA PeJP NA NA +PJ075070 SPKKERY C40H66N12O12 906.4923 NA PeJP NA NA +PJ075071 GSSSKKKW C40H66N12O12 906.4924 NA PeJP NA NA +PJ075072 ARRRYW C41H62N16O8 906.4937 NA PeJP NA NA +PJ075073 GTTTLKMR C37H70N12O12S 906.4957 NA PeJP NA NA +PJ075074 SPVKKYW C45H66N10O10 906.4964 NA PeJP NA NA +PJ075075 AAMFRRR C38H66N16O8S 906.4971 NA PeJP NA NA +MJ097425 3-Hydroxy-11-oxo-12-oleanen-29-oic acid, 3-O-[6-Butyl-?-D-glucuronopyranosyl-(1?2)-6-ethyl-?-D-glucuronopyranoside] C48H74O16 906.497686 NA MeJP NA NA +MJ097426 3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[6-O-Ethyl-?-D-glucuronopyranosyl-(1?2)-6-O-butyl-?-D-glucuronopyranoside] C48H74O16 906.497686 NA MeJP NA NA +MJ097427 Avermectin B1a; 22,23-Dihydro, 22?,23S-dihydroxy C48H74O16 906.497686 NA MeJP NA NA +PJ075076 TTLKKMW C42H70N10O10S 906.4997 NA PeJP NA NA +PJ075077 GAPLKKMY C42H70N10O10S 906.4998 NA PeJP NA NA +PJ075078 PVVLFFW C50H66N8O8 906.5004 NA PeJP NA NA +PJ075079 STTTLKKE C38H70N10O15 906.5022 NA PeJP NA NA +PJ075080 LKKKEMM C39H74N10O10S2 906.5031 NA PeJP NA NA +PJ075081 GVKERRY C39H66N14O11 906.5036 NA PeJP NA NA +PJ075082 VVLLMFW C47H70N8O8S 906.5038 NA PeJP NA NA +PJ075083 PHRRRW C40H62N18O7 906.5049 NA PeJP NA NA +PJ075084 LLLKEEY C43H70N8O13 906.5063 NA PeJP NA NA +PJ075085 GSTCKKKR C36H70N14O11S 906.507 NA PeJP NA NA +PJ075086 AALKRYW C44H66N12O9 906.5076 NA PeJP NA NA +PJ075087 SCKKKKW C41H70N12O9S 906.511 NA PeJP NA NA +PJ075088 LKKFWW C49H66N10O7 906.5116 NA PeJP NA NA +PJ075089 STTTTLKR C37H70N12O14 906.5135 NA PeJP NA NA +PJ075090 TLKKMMR C38H74N12O9S2 906.5144 NA PeJP NA NA +MetaCyc04285 chlorophyll b [chlorophyll b;] C55H70N4O6MG1 906.514578 NA metacyc NA NA +C05307 Chlorophyll b C55H70MgN4O6 906.5146 NA KEGG NA NA +PJ075091 KERRRY C38H66N16O10 906.5148 NA PeJP NA NA +PJ075092 TLLLERY C42H70N10O12 906.5175 NA PeJP NA NA +PJ075093 VKRRYW C43H66N14O8 906.5188 NA PeJP NA NA +PJ075094 PPPVRRW C43H66N14O8 906.5189 NA PeJP NA NA +PJ075095 SSTLLKKM C39H74N10O12S 906.5209 NA PeJP NA NA +PJ075096 SLLLLYW C47H70N8O10 906.5215 NA PeJP NA NA +PJ075097 GLKMFRR C40H70N14O8S 906.5222 NA PeJP NA NA +PJ075098 SSSSKKKR C36H70N14O13 906.5247 NA PeJP NA NA +PJ075099 AALLLLMY C44H74N8O10S 906.5249 NA PeJP NA NA +PJ075100 TRRRRY C37H66N18O9 906.5261 NA PeJP NA NA +PJ075101 ALKKERY C41H70N12O11 906.5287 NA PeJP NA NA +PJ075102 GGGGLKKKY C41H70N12O11 906.5288 NA PeJP NA NA +PJ075103 GSTKKKKM C38H74N12O11S 906.5321 NA PeJP NA NA +PJ075104 GLLKKYW C46H70N10O9 906.5328 NA PeJP NA NA +MJ097428 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H78O15 906.534071 NA MeJP NA NA +MJ097429 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2-pentenoyl), 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H78O15 906.534071 NA MeJP NA NA +MJ097430 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-O-[?-L-cymaropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] C49H78O15 906.534071 NA MeJP NA NA +MJ097431 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-[?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] C49H78O15 906.534071 NA MeJP NA NA +MJ097432 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-O-(3,4-Dimethyl-2-pentenoyl), 3-O-[?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H78O15 906.534071 NA MeJP NA NA +PJ075105 VLLLMRY C43H74N10O9S 906.5361 NA PeJP NA NA +PJ075106 ATLKRRY C40H70N14O10 906.54 NA PeJP NA NA +PJ075107 ATTILLLY C44H74N8O12 906.5426 NA PeJP NA NA +PJ075108 ATTLLLLY C44H74N8O12 906.5427 NA PeJP NA NA +PJ075109 PVLKKHW C45H70N12O8 906.544 NA PeJP NA NA +PJ075110 VVKKMFR C42H74N12O8S 906.5474 NA PeJP NA NA +PJ075111 SSTTKKKK C38H74N12O13 906.5499 NA PeJP NA NA +PJ075112 PTLKHRR C39H70N16O9 906.5512 NA PeJP NA NA +PJ075113 VLKKKEY C43H74N10O11 906.5539 NA PeJP NA NA +PJ075114 AALLLLFF C48H74N8O9 906.5579 NA PeJP NA NA +PJ075115 GLLHRRR C38H70N18O8 906.5625 NA PeJP NA NA +PJ075116 SLLKKRY C42H74N12O10 906.5651 NA PeJP NA NA +PJ075117 VLLLFFR C47H74N10O8 906.5691 NA PeJP NA NA +PJ075118 LLLLLHW C47H74N10O8 906.5692 NA PeJP NA NA +PJ075119 LLKKKMF C44H78N10O8S 906.5725 NA PeJP NA NA +PJ075120 GKKKKRY C41H74N14O9 906.5764 NA PeJP NA NA +PJ075121 PPLLLLLE C45H78N8O11 906.5791 NA PeJP NA NA +PJ075122 PPLLRRR C40H74N16O8 906.5876 NA PeJP NA NA +PJ075123 SVLLLLLH C44H78N10O10 906.5903 NA PeJP NA NA +PJ075124 APPLLLKR C43H78N12O9 906.6015 NA PeJP NA NA +PJ075125 LLLKKHR C42H78N14O8 906.6127 NA PeJP NA NA +PJ075126 PPVLLLKK C45H82N10O9 906.6267 NA PeJP NA NA +PJ075127 PLLLLLLL C47H86N8O9 906.6518 NA PeJP NA NA +MJ097433 Huratoxin; 20-Docosanoyl C56H90O9 906.658484 NA MeJP NA NA +HMDB05412 TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H102O6 906.767639 NA HMDB2010 NA NA +HMDB05443 TG(16:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H102O6 906.767639 NA HMDB2010 NA NA +HMDB05456 TG(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C59H102O6 906.767639 NA HMDB2010 NA NA +HMDB10454 TG(18:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C59H102O6 906.767639 NA HMDB2010 NA NA +HMDB10485 TG(18:2(9Z,12Z)/18:1(9Z)/20:3(8Z,11Z,14Z))[iso6] C59H102O6 906.767639 NA HMDB2010 NA NA +HMDB10491 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:2(11Z,14Z))[iso3] C59H102O6 906.767639 NA HMDB2010 NA NA +HMDB05412 TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H102O6 906.76764 http://www.hmdb.ca/metabolites/HMDB05412 HMDB NA NA +HMDB05443 TG(16:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H102O6 906.76764 http://www.hmdb.ca/metabolites/HMDB05443 HMDB NA NA +HMDB05456 TG(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C59H102O6 906.76764 http://www.hmdb.ca/metabolites/HMDB05456 HMDB NA NA +HMDB05412 TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H102O6 906.76764 HMDB05412 PFEM_hmdb_metabocards_official NA NA +HMDB05443 TG(16:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H102O6 906.76764 HMDB05443 PFEM_hmdb_metabocards_official NA NA +HMDB05456 TG(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C59H102O6 906.76764 HMDB05456 PFEM_hmdb_metabocards_official NA NA +MetaCyc04286 6-carboxyhex-2-enoyl-CoA [7-[2-[3-[4-[[[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-3- phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinoyl] oxy-hydroxy-phosphinoyl]oxy-2-hydroxy-3,3-dimethyl-butanoyl] aminopropanoylamino]ethylsulfanyl]-7-oxo-hept-5-enoic acid;] C28H44N7O19P3S1 907.162552 NA metacyc NA NA +C06723 6-Carboxyhex-2-enoyl-CoA C28H44N7O19P3S 907.1626 NA KEGG NA NA +C09825 6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA C28H44N7O19P3S 907.1626 NA KEGG NA NA +PJ075128 GSCCCCCDD C28H45N9O15S5 907.1639 NA PeJP NA NA +PJ075129 APCCCCCCC C29H49N9O10S7 907.1648 NA PeJP NA NA +PJ075130 CCCCCNEM C29H49N9O12S6 907.1825 NA PeJP NA NA +PJ075131 CCCCCCDR C28H49N11O11S6 907.1938 NA PeJP NA NA +PJ075132 GCCCCCMW C33H49N9O9S6 907.1978 NA PeJP NA NA +C04316 (1-Hydroxycyclohexan-1-yl)acetyl-CoA C29H48N7O18P3S 907.1989 NA KEGG NA NA +C04317 1-Organyl-2-lyso-sn-glycero-3-phosphocholine C8H20NO6PR 907.1989 NA KEGG NA NA +C05267 3-Oxooctanoyl-CoA C29H48N7O18P3S 907.1989 NA KEGG NA NA +HMDB03941 3-Oxooctanoyl-CoA C29H48N7O18P3S 907.19891 http://www.hmdb.ca/metabolites/HMDB03941 HMDB NA NA +HMDB03941 3-Oxooctanoyl-CoA C29H48N7O18P3S 907.19891 HMDB03941 PFEM_hmdb_metabocards_official NA NA +HMDB03941 3-Oxooctanoyl-CoA C29H48N7O18P3S 907.198914 NA HMDB2010 NA NA +MetaCyc04287 (1-hydroxycyclohexan-1-yl)acetyl-CoA [] C29H48N7O18P3S1 907.198938 NA metacyc NA NA +PJ075133 GSSCCCCDM C29H49N9O14S5 907.2003 NA PeJP NA NA +PJ075134 STCCCCCW C33H49N9O11S5 907.2155 NA PeJP NA NA +PJ075135 GGPCCCCCY C33H49N9O11S5 907.2156 NA PeJP NA NA +PJ075136 SSSSCCCCE C29H49N9O16S4 907.218 NA PeJP NA NA +PJ075137 SCCCCQMM C30H53N9O11S6 907.2189 NA PeJP NA NA +PJ075138 SCCCCCMR C29H53N11O10S6 907.2302 NA PeJP NA NA +PJ075139 GCCCNDMY C33H49N9O13S4 907.2333 NA PeJP NA NA +C01942 Nonanoyl-CoA C30H52N7O17P3S 907.2353 NA KEGG NA NA +PJ075140 GSSSCCCMM C30H53N9O13S5 907.2367 NA PeJP NA NA +PJ075141 SCCNDDDH C31H45N11O17S2 907.2437 NA PeJP NA NA +PJ075142 PCCCCNEH C32H49N11O12S4 907.2445 NA PeJP NA NA +PJ075143 GAPCCCCDH C32H49N11O12S4 907.2446 NA PeJP NA NA +PJ075144 CCCCQYW C37H49N9O10S4 907.2486 NA PeJP NA NA +PJ075145 PCNDDDDD C32H45N9O20S 907.2502 NA PeJP NA NA +PJ075146 SSCCCNEY C33H49N9O15S3 907.2511 NA PeJP NA NA +PJ075147 GCCCNMMF C34H53N9O10S5 907.2519 NA PeJP NA NA +PJ075148 CDDDDYY C37H45N7O18S 907.2542 NA PeJP NA NA +PJ075149 SSSSTCCCM C30H53N9O15S4 907.2544 NA PeJP NA NA +PJ075150 SCCCCKMM C31H57N9O10S6 907.2553 NA PeJP NA NA +PJ075151 CDDMMMY C35H53N7O13S4 907.2585 NA PeJP NA NA +PJ075152 GPCCCCHW C36H49N11O9S4 907.2598 NA PeJP NA NA +PJ075153 GCCNDEMH C32H49N11O14S3 907.2623 NA PeJP NA NA +PJ075154 CMMMMMM C33H61N7O8S7 907.2627 NA PeJP NA NA +PJ075155 ACCCCCFR C33H53N11O9S5 907.2632 NA PeJP NA NA +PJ075156 GSSCCCYW C37H49N9O12S3 907.2663 NA PeJP NA NA +PJ075157 GNDDDDEE C32H45N9O22 907.268 NA PeJP NA NA +PJ075158 GSSSSCCDY C33H49N9O17S2 907.2688 NA PeJP NA NA +PJ075159 GSCCNMMY C34H53N9O12S4 907.2697 NA PeJP NA NA +PJ075160 CDDDMFY C38H49N7O15S2 907.2728 NA PeJP NA NA +PJ075161 GCCCDDHR C31H49N13O13S3 907.2735 NA PeJP NA NA +PJ075162 GGGGGGTCCCH C31H49N13O13S3 907.2736 NA PeJP NA NA +PJ075163 CDMMMMF C36H57N7O10S5 907.2771 NA PeJP NA NA +PJ075164 CCNDMHW C36H49N11O11S3 907.2775 NA PeJP NA NA +PJ075165 GGCCDMHW C36H49N11O11S3 907.2776 NA PeJP NA NA +PJ075166 SNNNDDDD C31H45N11O21 907.2792 NA PeJP NA NA +PJ075167 SSCNDDMH C32H49N11O16S2 907.2801 NA PeJP NA NA +PJ075168 GTCCCCRY C33H53N11O11S4 907.2809 NA PeJP NA NA +PJ075169 NDDDDEW C36H45N9O19 907.2832 NA PeJP NA NA +PJ075170 CCNNEYY C37H49N9O14S2 907.2841 NA PeJP NA NA +PJ075171 CCCCKYW C38H53N9O9S4 907.2849 NA PeJP NA NA +PJ075172 PPPCCCCW C38H53N9O9S4 907.285 NA PeJP NA NA +PJ075173 SPNDDDDM C33H49N9O19S 907.2866 NA PeJP NA NA +PJ075174 SSSCCQMY C34H53N9O14S3 907.2874 NA PeJP NA NA +PJ075175 CEEEMMH C34H53N9O14S3 907.2875 NA PeJP NA NA +PJ075176 ACCCCKMF C35H57N9O9S5 907.2883 NA PeJP NA NA +PJ075177 SDDDMYY C38H49N7O17S 907.2906 NA PeJP NA NA +PJ075178 GSSSCCNNH C31H49N13O15S2 907.2913 NA PeJP NA NA +PJ075179 PCCEMYY C39H53N7O12S3 907.2915 NA PeJP NA NA +PJ075180 SPCCCCHR C32H53N13O10S4 907.2922 NA PeJP NA NA +PJ075181 ACCCHWW C40H49N11O8S3 907.2928 NA PeJP NA NA +PJ075182 DEEEEEE C34H49N7O22 907.2931 NA PeJP NA NA +PJ075183 SDMMMMY C36H57N7O12S4 907.2948 NA PeJP NA NA +PJ075184 GSSCCEHW C36H49N11O13S2 907.2953 NA PeJP NA NA +PJ075185 CCMMHHF C37H53N11O8S4 907.2962 NA PeJP NA NA +PJ075186 GSSSSCDEH C32H49N11O18S 907.2978 NA PeJP NA NA +PJ075187 GDDDDWW C40H45N9O16 907.2985 NA PeJP NA NA +PJ075188 SSSCCCRY C33H53N11O13S3 907.2987 NA PeJP NA NA +PJ075189 GCCNYYW C41H49N9O11S2 907.2993 NA PeJP NA NA +PJ075190 GSPCDDEW C37H49N9O16S 907.3018 NA PeJP NA NA +PJ075191 GPPCCDMW C38H53N9O11S3 907.3027 NA PeJP NA NA +PJ075192 GSNDEEEE C33H49N9O21 907.3043 NA PeJP NA NA +PJ075193 GGGSDEEEE C33H49N9O21 907.3044 NA PeJP NA NA +PJ075194 GSSSSSCMY C34H53N9O16S2 907.3052 NA PeJP NA NA +PJ075195 CDDDFFF C42H49N7O14S 907.3059 NA PeJP NA NA +PJ075196 GTCCCKMY C35H57N9O11S4 907.3061 NA PeJP NA NA +PJ075197 GCCNNNHF C35H49N13O12S2 907.3065 NA PeJP NA NA +PJ075198 GGGCCNNHF C35H49N13O12S2 907.3066 NA PeJP NA NA +PJ075199 SCNNNNNE C31H49N13O17S 907.309 NA PeJP NA NA +PJ075200 GCNNDDDR C31H49N13O17S 907.3091 NA PeJP NA NA +PJ075201 GDEMMYY C39H53N7O14S2 907.3092 NA PeJP NA NA +PJ075202 GSCCDMHR C32H53N13O12S3 907.3099 NA PeJP NA NA +PJ075203 SSCCHWW C40H49N11O10S2 907.3106 NA PeJP NA NA +PJ075204 SSSSCDHW C36H49N11O15S 907.3131 NA PeJP NA NA +PJ075205 AMMMMMY C37H61N7O9S5 907.3135 NA PeJP NA NA +PJ075206 SCNMMHW C37H53N11O10S3 907.3139 NA PeJP NA NA +PJ075207 GGGPCCMHF C37H53N11O10S3 907.314 NA PeJP NA NA +PJ075208 GSDDDDER C32H49N11O20 907.3156 NA PeJP NA NA +PJ075209 SSSNDMMH C33H53N11O15S2 907.3164 NA PeJP NA NA +PJ075210 GPCDDDMR C33H53N11O15S2 907.3165 NA PeJP NA NA +PJ075211 SPCDDWW C41H49N9O13S 907.3171 NA PeJP NA NA +PJ075212 NNMMMMH C34H57N11O10S4 907.3173 NA PeJP NA NA +PJ075213 GSCCQHHH C34H49N15O11S2 907.3178 NA PeJP NA NA +PJ075214 SNDEEEW C37H49N9O18 907.3196 NA PeJP NA NA +PJ075215 SCNQMYY C38H53N9O13S2 907.3204 NA PeJP NA NA +PJ075216 PNDDMMW C38H53N9O13S2 907.3205 NA PeJP NA NA +PJ075217 SSSSSSTCY C34H53N9O18S 907.3229 NA PeJP NA NA +PJ075218 NQEEEEM C34H53N9O18S 907.323 NA PeJP NA NA +PJ075219 GDDEFYY C42H49N7O16 907.3236 NA PeJP NA NA +PJ075220 SSSCCKMY C35H57N9O13S3 907.3238 NA PeJP NA NA +PJ075221 GSCNNNNW C35H49N13O14S 907.3243 NA PeJP NA NA +PJ075222 DMMYYW C43H53N7O11S2 907.3245 NA PeJP NA NA +PJ075223 PMMMMMH C36H61N9O8S5 907.3247 NA PeJP NA NA +PJ075224 TCCCHRW C36H53N13O9S3 907.3252 NA PeJP NA NA +PJ075225 GSSSNNNND C31H49N13O19 907.3268 NA PeJP NA NA +PJ075226 SSEEMYY C39H53N7O16S 907.327 NA PeJP NA NA +PJ075227 SSSCCEHR C32H53N13O14S2 907.3277 NA PeJP NA NA +PJ075228 PTCMMYY C40H57N7O11S3 907.3278 NA PeJP NA NA +PJ075229 GEMMMFY C40H57N7O11S3 907.3279 NA PeJP NA NA +PJ075230 GCNNEWW C40H49N11O12S 907.3283 NA PeJP NA NA +PJ075231 CCQMMHR C33H57N13O9S4 907.3285 NA PeJP NA NA +PJ075232 GACCMMHR C33H57N13O9S4 907.3286 NA PeJP NA NA +PJ075233 SDDDDRW C36H49N11O17 907.3308 NA PeJP NA NA +PJ075234 GGGGGGGPDDY C36H49N11O17 907.3309 NA PeJP NA NA +PJ075235 TTMMMMY C37H61N7O11S4 907.3312 NA PeJP NA NA +PJ075236 PCCDERW C37H53N11O12S2 907.3317 NA PeJP NA NA +PJ075237 NDDEEMR C33H53N11O17S 907.3342 NA PeJP NA NA +PJ075238 ASDDEWW C41H49N9O15 907.3348 NA PeJP NA NA +PJ075239 GSDEEWW C41H49N9O15 907.3349 NA PeJP NA NA +PJ075240 SPPCCDMR C34H57N11O12S3 907.3351 NA PeJP NA NA +PJ075241 SSSCNHHH C34H49N15O13S 907.3355 NA PeJP NA NA +PJ075242 GPCEMWW C42H53N9O10S2 907.3357 NA PeJP NA NA +PJ075243 GQEEEMW C38H53N9O15S 907.3382 NA PeJP NA NA +PJ075244 DDFYYW C46H49N7O13 907.3389 NA PeJP NA NA +PJ075245 GSPPCMMW C39H57N9O10S3 907.3391 NA PeJP NA NA +PJ075246 PCNDHHW C39H49N13O11S 907.3396 NA PeJP NA NA +PJ075247 CCCMHRR C32H57N15O8S4 907.3398 NA PeJP NA NA +PJ075248 GSTQEEEE C34H53N9O20 907.3407 NA PeJP NA NA +PJ075249 GSPQEEMM C35H57N9O15S2 907.3416 NA PeJP NA NA +PJ075250 GNNNNNDF C35H49N13O16 907.3421 NA PeJP NA NA +PJ075251 GPDMYYY C43H53N7O13S 907.3422 NA PeJP NA NA +PJ075252 VEMMMMH C36H61N9O10S4 907.3425 NA PeJP NA NA +PJ075253 CCNEHFR C36H53N13O11S2 907.3429 NA PeJP NA NA +PJ075254 MMMFYW C44H57N7O8S3 907.3431 NA PeJP NA NA +PJ075255 CNNWWW C44H49N11O9S 907.3436 NA PeJP NA NA +PJ075256 PEEEEEF C39H53N7O18 907.3447 NA PeJP NA NA +PJ075257 CDDDERR C32H53N13O16S 907.3454 NA PeJP NA NA +PJ075258 GGGGGSDDMR C32H53N13O16S 907.3455 NA PeJP NA NA +PJ075259 ATEMMYY C40H57N7O13S2 907.3456 NA PeJP NA NA +PJ075260 SSNNDWW C40H49N11O14 907.3461 NA PeJP NA NA +PJ075261 GSSCMMHR C33H57N13O11S3 907.3463 NA PeJP NA NA +PJ075262 AMMMMFF C41H61N7O8S4 907.3465 NA PeJP NA NA +PJ075263 ACNMHFW C41H53N11O9S2 907.3469 NA PeJP NA NA +PJ075264 GCQMHFW C41H53N11O9S2 907.347 NA PeJP NA NA +PJ075265 LEEEEEM C36H57N7O18S 907.3481 NA PeJP NA NA +PJ075266 SSSSSMHW C37H53N11O14S 907.3494 NA PeJP NA NA +PJ075267 GDDEMRW C37H53N11O14S 907.3495 NA PeJP NA NA +PJ075268 SDEWWW C45H49N9O12 907.3501 NA PeJP NA NA +PJ075269 TCCKMHW C38H57N11O9S3 907.3503 NA PeJP NA NA +PJ075270 CNNHHHF C38H49N15O10S 907.3508 NA PeJP NA NA +PJ075271 PCMWWW C46H53N9O7S2 907.351 NA PeJP NA NA +PJ075272 SSSSSSTEH C33H53N11O19 907.3519 NA PeJP NA NA +PJ075273 GSSDEEER C33H53N11O19 907.352 NA PeJP NA NA +PJ075274 GSPDDMMR C34H57N11O14S2 907.3528 NA PeJP NA NA +PJ075275 GGGGGGGVEMM C34H57N11O14S2 907.3529 NA PeJP NA NA +PJ075276 NDDDHHR C34H49N15O15 907.3533 NA PeJP NA NA +PJ075277 QEEMWW C42H53N9O12S 907.3535 NA PeJP NA NA +PJ075278 APPCCMMR C35H61N11O9S4 907.3537 NA PeJP NA NA +PJ075279 GSCCKHHH C35H53N15O10S2 907.3542 NA PeJP NA NA +MJ097434 Pepticinnamin; Pepticinnamin E C49H54ClN5O10 907.35592 NA MeJP NA NA +PJ075280 STQEEEW C38H53N9O17 907.356 NA PeJP NA NA +PJ075281 SSCNNNNR C31H53N15O15S 907.3567 NA PeJP NA NA +PJ075282 SPQEMMW C39H57N9O12S2 907.3568 NA PeJP NA NA +PJ075283 GGPTEMMW C39H57N9O12S2 907.3569 NA PeJP NA NA +PJ075284 GNEEHHW C39H49N13O13 907.3573 NA PeJP NA NA +PJ075285 DMFFYW C47H53N7O10S 907.3575 NA PeJP NA NA +PJ075286 GGGPCCCRR C32H57N15O10S3 907.3576 NA PeJP NA NA +PJ075287 GCCHFRW C40H53N13O8S2 907.3582 NA PeJP NA NA +PJ075288 SSPTQEEM C35H57N9O17S 907.3593 NA PeJP NA NA +PJ075289 NKEEEEM C35H57N9O17S 907.3594 NA PeJP NA NA +PJ075290 AAEEYYY C43H53N7O15 907.36 NA PeJP NA NA +PJ075291 AAPQEMMM C36H61N9O12S3 907.3602 NA PeJP NA NA +PJ075292 SCNNERW C36H53N13O13S 907.3607 NA PeJP NA NA +PJ075293 GPMMFYY C44H57N7O10S2 907.3609 NA PeJP NA NA +PJ075294 CLMMHHH C37H57N13O8S3 907.3616 NA PeJP NA NA +PJ075295 TCHHHHH C37H49N17O9S 907.362 NA PeJP NA NA +PJ075296 SSSNNDER C32H53N13O18 907.3632 NA PeJP NA NA +PJ075297 TTTEMYY C40H57N7O15S 907.3634 NA PeJP NA NA +PJ075298 SSSTCMHR C33H57N13O13S2 907.364 NA PeJP NA NA +PJ075299 GGNNEMMR C33H57N13O13S2 907.3641 NA PeJP NA NA +PJ075300 GLMMMYY C41H61N7O10S3 907.3642 NA PeJP NA NA +PJ075301 DDMRWW C41H53N11O11S 907.3647 NA PeJP NA NA +PJ075302 CCKMMHR C34H61N13O8S4 907.3649 NA PeJP NA NA +PJ075303 SSDEERW C37H53N11O16 907.3672 NA PeJP NA NA +PJ075304 SPCEMRW C38H57N11O11S2 907.3681 NA PeJP NA NA +PJ075305 SNNNHHW C38H49N15O12 907.3685 NA PeJP NA NA +PJ075306 GGSNNHHW C38H49N15O12 907.3686 NA PeJP NA NA +PJ075307 AEMWWW C46H53N9O9S 907.3687 NA PeJP NA NA +PJ075308 SQEEEMR C34H57N11O16S 907.3706 NA PeJP NA NA +PJ075309 GTTEEWW C42H53N9O14 907.3712 NA PeJP NA NA +PJ075310 GGGPPDDFF C42H53N9O14 907.3713 NA PeJP NA NA +PJ075311 SSPPCMMR C35H61N11O11S3 907.3714 NA PeJP NA NA +PJ075312 PNEMMMR C35H61N11O11S3 907.3715 NA PeJP NA NA +PJ075313 GSPCDHHR C35H53N15O12S 907.3719 NA PeJP NA NA +PJ075314 GGGGGGAAMHH C35H53N15O12S 907.372 NA PeJP NA NA +PJ075315 GPTMMWW C43H57N9O9S2 907.3721 NA PeJP NA NA +PJ075316 NEHHWW C43H49N13O10 907.3726 NA PeJP NA NA +PJ075317 GKEEEMW C39H57N9O14S 907.3746 NA PeJP NA NA +PJ075318 VDYYYW C47H53N7O12 907.3752 NA PeJP NA NA +PJ075319 GPDFFYY C47H53N7O12 907.3753 NA PeJP NA NA +PJ075320 PVNMMMW C40H61N9O9S3 907.3755 NA PeJP NA NA +PJ075321 GSCNRWW C40H53N13O10S 907.3759 NA PeJP NA NA +PJ075322 GGGSCRWW C40H53N13O10S 907.376 NA PeJP NA NA +PJ075323 MMFFFW C48H57N7O7S2 907.3761 NA PeJP NA NA +PJ075324 GSTKEEEE C35H57N9O19 907.3771 NA PeJP NA NA +PJ075325 GSPKEEMM C36H61N9O14S2 907.378 NA PeJP NA NA +PJ075326 GSSSNDRW C36H53N13O15 907.3784 NA PeJP NA NA +PJ075327 GGGSSSDRW C36H53N13O15 907.3785 NA PeJP NA NA +PJ075328 APTMYYY C44H57N7O12S 907.3786 NA PeJP NA NA +PJ075329 APPCKMMM C37H65N9O9S4 907.3789 NA PeJP NA NA +PJ075330 GNNMMRW C37H57N13O10S2 907.3793 NA PeJP NA NA +PJ075331 ACHHFFF C45H53N11O8S 907.38 NA PeJP NA NA +PJ075332 PLEEEEY C40H57N7O17 907.3811 NA PeJP NA NA +PJ075333 SDDEMRR C33H57N13O15S 907.3818 NA PeJP NA NA +PJ075334 STLMMYY C41H61N7O12S2 907.382 NA PeJP NA NA +PJ075335 SSTNQWW C41H53N11O13 907.3824 NA PeJP NA NA +PJ075336 SSSQQWW C41H53N11O13 907.3825 NA PeJP NA NA +PJ075337 PCDMMRR C34H61N13O10S3 907.3827 NA PeJP NA NA +PJ075338 CNNQHHR C34H53N17O11S 907.3832 NA PeJP NA NA +PJ075339 PPCCFRW C42H57N11O8S2 907.3833 NA PeJP NA NA +PJ075340 GTEEMRW C38H57N11O13S 907.3858 NA PeJP NA NA +PJ075341 GGGGSKEMW C38H57N11O13S 907.3859 NA PeJP NA NA +PJ075342 TTEWWW C46H53N9O11 907.3865 NA PeJP NA NA +PJ075343 GPMMMRW C39H61N11O8S3 907.3867 NA PeJP NA NA +PJ075344 GHHWWW C47H49N13O7 907.3878 NA PeJP NA NA +PJ075345 GSTTEEER C34H57N11O18 907.3883 NA PeJP NA NA +PJ075346 GGGGSSTKEE C34H57N11O18 907.3884 NA PeJP NA NA +PJ075347 VNEEMMR C35H61N11O13S2 907.3892 NA PeJP NA NA +PJ075348 NNNNNRY C35H53N15O14 907.3897 NA PeJP NA NA +PJ075349 KEEMWW C43H57N9O11S 907.3899 NA PeJP NA NA +PJ075350 CKKMMMH C36H65N11O8S4 907.3901 NA PeJP NA NA +PJ075351 DFFFFW C51H53N7O9 907.3905 NA PeJP NA NA +PJ075352 GCCQRRW C36H57N15O9S2 907.3906 NA PeJP NA NA +PJ075353 SSPTTTEW C39H57N9O16 907.3923 NA PeJP NA NA +PJ075354 STKEEEW C39H57N9O16 907.3924 NA PeJP NA NA +PJ075355 GSSCNERR C32H57N15O14S 907.3931 NA PeJP NA NA +PJ075356 SPKEMMW C40H61N9O11S2 907.3932 NA PeJP NA NA +PJ075357 GNNDFRW C40H53N13O12 907.3937 NA PeJP NA NA +PJ075358 VMFYYW C48H57N7O9S 907.3939 NA PeJP NA NA +PJ075359 GHHHHHF C41H49N17O8 907.3951 NA PeJP NA NA +PJ075360 DKKEEEM C36H61N9O16S 907.3957 NA PeJP NA NA +PJ075361 GTLEYYY C44H57N7O14 907.3964 NA PeJP NA NA +PJ075362 AAPKEMMM C37H65N9O11S3 907.3966 NA PeJP NA NA +PJ075363 SSNQMRW C37H57N13O12S 907.3971 NA PeJP NA NA +PJ075364 GLMMFFY C45H61N7O9S2 907.3973 NA PeJP NA NA +PJ075365 NQQFWW C45H53N11O10 907.3977 NA PeJP NA NA +PJ075366 SSSSQQER C33H57N13O17 907.3996 NA PeJP NA NA +PJ075367 GEEMMRR C34H61N13O12S2 907.4004 NA PeJP NA NA +PJ075368 ADEMMRR C34H61N13O12S2 907.4005 NA PeJP NA NA +PJ075369 GSSNNHHR C34H53N17O13 907.4009 NA PeJP NA NA +PJ075370 TEMRWW C42H57N11O10S 907.4011 NA PeJP NA NA +PJ075371 APYWWW C50H53N9O8 907.4017 NA PeJP NA NA +PJ075372 PCCHHRR C35H57N17O8S2 907.4018 NA PeJP NA NA +PJ075373 STTEERW C38H57N11O15 907.4036 NA PeJP NA NA +PJ075374 GVEMMRW C39H61N11O10S2 907.4045 NA PeJP NA NA +PJ075375 GSEHHRW C39H53N15O11 907.4049 NA PeJP NA NA +PJ075376 SLMWWW C47H57N9O8S 907.4051 NA PeJP NA NA +PJ075377 SKEEEMR C35H61N11O15S 907.407 NA PeJP NA NA +PJ075378 SSTLEWW C43H57N9O13 907.4076 NA PeJP NA NA +PJ075379 PDKMMMR C36H65N11O10S3 907.4078 NA PeJP NA NA +PJ075380 GGGPCKKMM C36H65N11O10S3 907.4079 NA PeJP NA NA +PJ075381 SSCNRRW C36H57N15O11S 907.4083 NA PeJP NA NA +PJ075382 AALMMWW C44H61N9O8S2 907.4085 NA PeJP NA NA +PJ075383 DKHHWW C44H53N13O9 907.409 NA PeJP NA NA +PJ075384 SSSSNDRR C32H57N15O16 907.4108 NA PeJP NA NA +PJ075385 SVKEEMW C40H61N9O13S 907.411 NA PeJP NA NA +PJ075386 TLYYYW C48H57N7O11 907.4116 NA PeJP NA NA +PJ075387 SNNMMRR C33H61N15O11S2 907.4117 NA PeJP NA NA +PJ075388 PCLKMMW C41H65N9O8S3 907.4119 NA PeJP NA NA +PJ075389 GLQMHHW C41H57N13O9S 907.4123 NA PeJP NA NA +PJ075390 PPHWWW C49H53N11O7 907.413 NA PeJP NA NA +PJ075391 SSSLKEEE C36H61N9O18 907.4135 NA PeJP NA NA +PJ075392 LQKEEMM C37H65N9O13S2 907.4144 NA PeJP NA NA +PJ075393 GSSSTQRW C37H57N13O14 907.4148 NA PeJP NA NA +PJ075394 GGGGGGVERY C37H57N13O14 907.4149 NA PeJP NA NA +PJ075395 GVLMYYY C45H61N7O11S 907.415 NA PeJP NA NA +PJ075396 EMMRRW C38H61N13O9S2 907.4157 NA PeJP NA NA +PJ075397 VNQHHHH C38H53N17O10 907.4162 NA PeJP NA NA +PJ075398 LLEEEEF C41H61N7O16 907.4175 NA PeJP NA NA +PJ075399 STEEMRR C34H61N13O14S 907.4182 NA PeJP NA NA +PJ075400 SSSQKWW C42H57N11O12 907.4188 NA PeJP NA NA +PJ075401 GGSSTKWW C42H57N11O12 907.4189 NA PeJP NA NA +PJ075402 SPMMMRR C35H65N13O9S3 907.4191 NA PeJP NA NA +PJ075403 CNNKHHR C35H57N17O10S 907.4195 NA PeJP NA NA +PJ075404 GDMHHRR C35H57N17O10S 907.4196 NA PeJP NA NA +PJ075405 VMMRWW C43H61N11O7S2 907.4197 NA PeJP NA NA +PJ075406 SHHRWW C43H53N15O8 907.4202 NA PeJP NA NA +PJ075407 SSLEMRW C39H61N11O12S 907.4222 NA PeJP NA NA +PJ075408 GGGGGGGVLMF C39H61N11O12S 907.4223 NA PeJP NA NA +PJ075409 PKEYWW C47H57N9O10 907.4229 NA PeJP NA NA +PJ075410 AAMHHRW C40H57N15O8S 907.4236 NA PeJP NA NA +PJ075411 SSSTLEER C35H61N11O17 907.4247 NA PeJP NA NA +PJ075412 VDKEMMR C36H65N11O12S2 907.4256 NA PeJP NA NA +PJ075413 GNNERRY C36H57N15O13 907.4261 NA PeJP NA NA +PJ075414 ATTLMWW C44H61N9O10S 907.4262 NA PeJP NA NA +PJ075415 GAAPLMYW C44H61N9O10S 907.4263 NA PeJP NA NA +PJ075416 VFFFYW C52H57N7O8 907.4269 NA PeJP NA NA +PJ075417 GQHHHHR C37H53N19O9 907.4274 NA PeJP NA NA +PJ075418 SSSSLLEW C40H61N9O15 907.4287 NA PeJP NA NA +PJ075419 PDKKEEY C40H61N9O15 907.4288 NA PeJP NA NA +PJ075420 GSSSQMRR C33H61N15O13S 907.4294 NA PeJP NA NA +PJ075421 ALKEMMW C41H65N9O10S2 907.4296 NA PeJP NA NA +PJ075422 QQQRYW C41H57N13O11 907.4301 NA PeJP NA NA +PJ075423 GLMFFFF C49H61N7O8S 907.4303 NA PeJP NA NA +PJ075424 GTTLKEEM C37H65N9O15S 907.4321 NA PeJP NA NA +PJ075425 SSLLYYY C45H61N7O13 907.4328 NA PeJP NA NA +PJ075426 GPTLKMMM C38H69N9O10S3 907.433 NA PeJP NA NA +PJ075427 SSNKMRW C38H61N13O11S 907.4334 NA PeJP NA NA +PJ075428 GGSSKMRW C38H61N13O11S 907.4335 NA PeJP NA NA +PJ075429 PTRYWW C46H57N11O9 907.4341 NA PeJP NA NA +PJ075430 SSSSQKER C34H61N13O16 907.4359 NA PeJP NA NA +PJ075431 GGSSSTKER C34H61N13O16 907.436 NA PeJP NA NA +PJ075432 SVEMMRR C35H65N13O11S2 907.4368 NA PeJP NA NA +PJ075433 GGGGACCKKK C35H65N13O11S2 907.4369 NA PeJP NA NA +PJ075434 SSEHHRR C35H57N17O12 907.4373 NA PeJP NA NA +PJ075435 GTCKKWW C43H61N11O9S 907.4375 NA PeJP NA NA +PJ075436 ALFWWW C51H57N9O7 907.4381 NA PeJP NA NA +PJ075437 GSSSKKEW C39H61N11O14 907.44 NA PeJP NA NA +PJ075438 GSSSCRRR C32H61N17O12S 907.4407 NA PeJP NA NA +PJ075439 ATLMMRW C40H65N11O9S2 907.4408 NA PeJP NA NA +PJ075440 SVVMMRW C40H65N11O9S2 907.4409 NA PeJP NA NA +PJ075441 NNRRYW C40H57N15O10 907.4413 NA PeJP NA NA +PJ075442 ASTTLEMR C36H65N11O14S 907.4433 NA PeJP NA NA +PJ075443 GTTTLEMR C36H65N11O14S 907.4434 NA PeJP NA NA +PJ075444 TTTTLWW C44H61N9O12 907.444 NA PeJP NA NA +PJ075445 VLQMMMR C37H69N11O9S3 907.4442 NA PeJP NA NA +PJ075446 GNQMFRR C37H61N15O10S 907.4447 NA PeJP NA NA +PJ075447 ALHHHFF C45H57N13O8 907.4453 NA PeJP NA NA +PJ075448 GPKHHFW C45H57N13O8 907.4454 NA PeJP NA NA +PJ075449 SSSSTQRR C33H61N15O15 907.4472 NA PeJP NA NA +PJ075450 TTLKEMW C41H65N9O12S 907.4474 NA PeJP NA NA +PJ075451 GVLFFYY C49H61N7O10 907.448 NA PeJP NA NA +PJ075452 SCQKMRR C34H65N15O10S2 907.4481 NA PeJP NA NA +PJ075453 PMRRYW C42H61N13O8S 907.4487 NA PeJP NA NA +PJ075454 STTTLKEE C37H65N9O17 907.4499 NA PeJP NA NA +PJ075455 SPTTLKMM C38H69N9O12S2 907.4507 NA PeJP NA NA +PJ075456 LKKEEMM C38H69N9O12S2 907.4508 NA PeJP NA NA +PJ075457 GSSSTKRW C38H61N13O13 907.4512 NA PeJP NA NA +PJ075458 GGGGGGGAPPPK C38H61N13O13 907.4513 NA PeJP NA NA +PJ075459 GCKKMRW C39H65N13O8S2 907.4521 NA PeJP NA NA +PJ075460 PPQHHHR C39H57N17O9 907.4526 NA PeJP NA NA +PJ075461 LLLEEEY C42H65N7O15 907.4539 NA PeJP NA NA +PJ075462 GSSDKKMR C35H65N13O13S 907.4546 NA PeJP NA NA +PJ075463 SSSKKWW C43H61N11O11 907.4552 NA PeJP NA NA +PJ075464 GGGGALKYW C43H61N11O11 907.4553 NA PeJP NA NA +PJ075465 ALMMMRR C36H69N13O8S3 907.4555 NA PeJP NA NA +PJ075466 GCNFRRR C36H61N17O9S 907.4559 NA PeJP NA NA +MJ097435 Albopeptin B; N-Deoxy C40H65N11O11S 907.458572 NA MeJP NA NA +PJ075467 TTTLMRW C40H65N11O11S 907.4586 NA PeJP NA NA +PJ075468 LLQYWW C48H61N9O9 907.4593 NA PeJP NA NA +PJ075469 STTTTLER C36H65N11O16 907.4611 NA PeJP NA NA +PJ075470 TLKEMMR C37H69N11O11S2 907.462 NA PeJP NA NA +PJ075471 GTQQRRY C37H61N15O12 907.4624 NA PeJP NA NA +PJ075472 EERRRY C37H61N15O12 907.4625 NA PeJP NA NA +PJ075473 APLKMYW C45H65N9O9S 907.4626 NA PeJP NA NA +PJ075474 GKHHHHR C38H57N19O8 907.4638 NA PeJP NA NA +PJ075475 SSTTTLLW C41H65N9O14 907.4651 NA PeJP NA NA +PJ075476 GGPPPLLEE C41H65N9O14 907.4652 NA PeJP NA NA +PJ075477 GSSSKMRR C34H65N15O12S 907.4658 NA PeJP NA NA +PJ075478 SLLKMMW C42H69N9O9S2 907.466 NA PeJP NA NA +PJ075479 VERRYW C42H61N13O10 907.4665 NA PeJP NA NA +PJ075480 SSTLLKEM C38H69N9O14S 907.4685 NA PeJP NA NA +PJ075481 AALLKMMM C39H73N9O9S3 907.4694 NA PeJP NA NA +PJ075482 STCKKRW C39H65N13O10S 907.4698 NA PeJP NA NA +PJ075483 GGPCKKRY C39H65N13O10S 907.4699 NA PeJP NA NA +PJ075484 VVRYWW C47H61N11O8 907.4705 NA PeJP NA NA +PJ075485 SSSSKKER C35H65N13O15 907.4723 NA PeJP NA NA +PJ075486 TTLMMRR C36H69N13O10S2 907.4732 NA PeJP NA NA +PJ075487 GSNRRRY C36H61N17O11 907.4737 NA PeJP NA NA +PJ075488 GVLMFRW C44H65N11O8S 907.4739 NA PeJP NA NA +PJ075489 GSTTTKKW C40H65N11O13 907.4764 NA PeJP NA NA +PJ075490 GKKKMMW C41H69N11O8S2 907.4772 NA PeJP NA NA +PJ075491 GPQKHRW C41H61N15O9 907.4777 NA PeJP NA NA +PJ075492 SSTTLLMR C37H69N11O13S 907.4797 NA PeJP NA NA +PJ075493 GLLKEYW C45H65N9O11 907.4804 NA PeJP NA NA +PJ075494 VLKMMMR C38H73N11O8S3 907.4806 NA PeJP NA NA +PJ075495 GNKMFRR C38H65N15O9S 907.4811 NA PeJP NA NA +PJ075496 PFFRRW C46H61N13O7 907.4817 NA PeJP NA NA +PJ075497 SSSSTKRR C34H65N15O14 907.4836 NA PeJP NA NA +PJ075498 PLKKEMY C42H69N9O11S 907.4838 NA PeJP NA NA +PJ075499 SCKKMRR C35H69N15O9S2 907.4845 NA PeJP NA NA +PJ075500 LMFRRW C43H65N13O7S 907.4851 NA PeJP NA NA +PJ075501 SSSSTTLLL C38H69N9O16 907.4862 NA PeJP NA NA +PJ075502 SSSSTTILL C38H69N9O16 907.4863 NA PeJP NA NA +PJ075503 ATTLLKMM C39H73N9O11S2 907.4871 NA PeJP NA NA +PJ075504 ATLERRY C39H65N13O12 907.4876 NA PeJP NA NA +PJ075505 GVHHFRR C40H61N17O8 907.489 NA PeJP NA NA +PJ075506 GSTTKKMR C36H69N13O12S 907.491 NA PeJP NA NA +PJ075507 GTLLRYW C44H65N11O10 907.4916 NA PeJP NA NA +PJ075508 STKKKMW C41H69N11O10S 907.495 NA PeJP NA NA +PJ075509 LLKYWW C49H65N9O8 907.4956 NA PeJP NA NA +PJ075510 PPPLLWW C49H65N9O8 907.4957 NA PeJP NA NA +PJ075511 SSTTKKKE C37H69N11O15 907.4975 NA PeJP NA NA +PJ075512 DKKKKMM C38H73N11O10S2 907.4984 NA PeJP NA NA +PJ075513 GTQKRRY C38H65N15O11 907.4988 NA PeJP NA NA +PJ075514 GGPKKEHR C38H65N15O11 907.4989 NA PeJP NA NA +PJ075515 ALLKMFW C46H69N9O8S 907.499 NA PeJP NA NA +PJ075516 HHFRRR C39H61N19O7 907.5002 NA PeJP NA NA +PJ075517 VLKKEEY C42H69N9O13 907.5015 NA PeJP NA NA +PJ075518 QKKRYW C43H65N13O9 907.5029 NA PeJP NA NA +PJ075519 TTTTLLKM C39H73N9O13S 907.5049 NA PeJP NA NA +PJ075520 GLLMRRY C40H69N13O9S 907.5062 NA PeJP NA NA +PJ075521 SSTTTKKR C36H69N13O14 907.5087 NA PeJP NA NA +PJ075522 SKKKMMR C37H73N13O9S2 907.5096 NA PeJP NA NA +MJ097436 Boromycinyl C46H74BNO16 907.510065 NA MeJP NA NA +PJ075523 SPQKHRR C37H65N17O10 907.5101 NA PeJP NA NA +PJ075524 SLLKERY C41H69N11O12 907.5127 NA PeJP NA NA +PJ075525 TLLDKRY C41H69N11O12 907.5128 NA PeJP NA NA +PJ075526 GPKKHRW C42H65N15O8 907.5141 NA PeJP NA NA +PJ075527 SSSLKKKM C38H73N11O12S 907.5161 NA PeJP NA NA +PJ075528 SVLLKYW C46H69N9O10 907.5168 NA PeJP NA NA +PJ075529 ACKKFRR C39H69N15O8S 907.5175 NA PeJP NA NA +PJ075530 LLLQKMY C43H73N9O10S 907.5201 NA PeJP NA NA +PJ075531 GALLLKMY C43H73N9O10S 907.5202 NA PeJP NA NA +PJ075532 GVQHRRR C36H65N19O9 907.5213 NA PeJP NA NA +PJ075533 STLLRRY C40H69N13O11 907.524 NA PeJP NA NA +PJ075534 GVKKKYW C45H69N11O9 907.528 NA PeJP NA NA +PJ075535 VVLKMRY C42H73N11O9S 907.5314 NA PeJP NA NA +PJ075536 QHRRRR C35H65N21O8 907.5325 NA PeJP NA NA +PJ075537 GAHRRRR C35H65N21O8 907.5326 NA PeJP NA NA +PJ075538 TTTTTKKK C38H73N11O14 907.5339 NA PeJP NA NA +PJ075539 GTKKRRY C39H69N15O10 907.5352 NA PeJP NA NA +PJ075540 GTTLLLKY C43H73N9O12 907.5379 NA PeJP NA NA +PJ075541 KKKRYW C44H69N13O8 907.5392 NA PeJP NA NA +PJ075542 ALLLHRW C44H69N13O8 907.5393 NA PeJP NA NA +PJ075543 AKKKMFR C41H73N13O8S 907.5426 NA PeJP NA NA +PJ075544 PPVQRRR C38H69N17O9 907.5465 NA PeJP NA NA +PJ075545 VDKKKKY C42H73N11O11 907.5491 NA PeJP NA NA +PJ075546 APPLLLER C42H73N11O11 907.5492 NA PeJP NA NA +PJ075547 GPPLLLLW C47H73N9O9 907.5532 NA PeJP NA NA +PJ075548 LLLKKMY C44H77N9O9S 907.5565 NA PeJP NA NA +PJ075549 APPRRRR C37H69N19O8 907.5577 NA PeJP NA NA +PJ075550 SVKKKRY C41H73N13O10 907.5604 NA PeJP NA NA +PJ075551 VLLLKHW C46H73N11O8 907.5644 NA PeJP NA NA +PJ075552 VKKKKMF C43H77N11O8S 907.5678 NA PeJP NA NA +PJ075553 KHRRRR C36H69N21O7 907.5689 NA PeJP NA NA +7876 peptide derived from bovine b-casein (169-176) KVLPVPQK 907.57 antibacterial Inhouse_peptide NA peptide +PJ075554 TLLLHRR C40H73N15O9 907.5716 NA PeJP NA NA +PJ075555 PPVLLLKE C44H77N9O11 907.5743 NA PeJP NA NA +PJ075556 ALKKHRR C39H73N17O8 907.5828 NA PeJP NA NA +PJ075557 PPVKRRR C39H73N17O8 907.5829 NA PeJP NA NA +PJ075558 TLKKKKY C43H77N11O10 907.5855 NA PeJP NA NA +PJ075559 LLLKKFF C48H77N9O8 907.5896 NA PeJP NA NA +PJ075560 GPPLLKKR C42H77N13O9 907.5968 NA PeJP NA NA +MJ097437 Dunaimycin D2S; 19-Deoxy, 18,19-didehydro C50H85NO13 907.602091 NA MeJP NA NA +PJ075561 VLKKKHR C41H77N15O8 907.608 NA PeJP NA NA +PJ075562 PVLLLLLQ C45H81N9O10 907.6107 NA PeJP NA NA +PJ075563 APLLLLLR C44H81N11O9 907.6219 NA PeJP NA NA +PJ075564 PVLLLLLK C46H85N9O9 907.6471 NA PeJP NA NA +8109 peptide derived from hoki frame protein (Johnius belengerii) ESTVPERTHPACPDFN 907.8839 MH2+ Inhouse_peptide NA peptide +MJ097438 4-O-Brevifolincarbonyl-1-O-galloyl-3,6-O-hexahydroxydiphenoyl-?-D-glucopyranose C40H28O25 908.091966 NA MeJP NA NA +MJ097439 Acalyphidin M1 C40H28O25 908.091966 NA MeJP NA NA +MJ097440 Heterophylliin E C40H28O25 908.091966 NA MeJP NA NA +MJ097441 2-(4-Hydroxyphenyl)ethanol; 1-O-[2,3,4,6-Tetrakis-O-(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] C42H36O23 908.164737 NA MeJP NA NA +PJ075565 CCCCCDEM C29H48N8O13S6 908.1666 NA PeJP NA NA +PJ075566 GSCCCCCCQ C28H48N10O12S6 908.1778 NA PeJP NA NA +PJ075567 SSSCCCCCN C28H48N10O14S5 908.1955 NA PeJP NA NA +PJ075568 PCCCCCDY C33H48N8O12S5 908.1996 NA PeJP NA NA +PJ075569 SCCCCEMM C30H52N8O12S6 908.2029 NA PeJP NA NA +PJ075570 CCCCCNNF C32H48N10O11S5 908.2108 NA PeJP NA NA +PJ075571 GSCCCCCCK C29H52N10O11S6 908.2142 NA PeJP NA NA +PJ075572 GCCCDDMY C33H48N8O14S4 908.2173 NA PeJP NA NA +PJ075573 PCCCCCMF C34H52N8O9S6 908.2182 NA PeJP NA NA +PJ075574 GCCCMMMM C31H56N8O9S7 908.2216 NA PeJP NA NA +PJ075575 TCCCCCHH C31H48N12O10S5 908.222 NA PeJP NA NA +PJ075576 SCCDDDDH C31H44N10O18S2 908.2277 NA PeJP NA NA +PJ075577 SCCCCNNY C32H48N10O13S4 908.2285 NA PeJP NA NA +PJ075578 GGSCCCCNY C32H48N10O13S4 908.2286 NA PeJP NA NA +PJ075579 CCCCEYW C37H48N8O11S4 908.2326 NA PeJP NA NA +PJ075580 PCDDDDDD C32H44N8O21S 908.2342 NA PeJP NA NA +PJ075581 SSCCCDEY C33H48N8O16S3 908.2351 NA PeJP NA NA +PJ075582 SPCCCCMY C34H52N8O11S5 908.2359 NA PeJP NA NA +PJ075583 GCCCDMMF C34H52N8O11S5 908.236 NA PeJP NA NA +PJ075584 STCCCMMM C31H56N8O11S6 908.2393 NA PeJP NA NA +PJ075585 GCCDDEMH C32H48N10O15S3 908.2463 NA PeJP NA NA +PJ075586 GCCCDDFF C37H48N8O13S3 908.2503 NA PeJP NA NA +PJ075587 GDDDDDEE C32H44N8O23 908.252 NA PeJP NA NA +PJ075588 GSCCDMMY C34H52N8O13S4 908.2537 NA PeJP NA NA +PJ075589 GCCCCHHF C35H48N12O9S4 908.2551 NA PeJP NA NA +PJ075590 SCCCNNEH C31H48N12O14S3 908.2575 NA PeJP NA NA +PJ075591 GGSCCCNEH C31H48N12O14S3 908.2576 NA PeJP NA NA +MJ097442 Diphyllin; O-[?-D-Apiofuranosyl-(1?3)-?-L-arabinopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?5)]-?-D-apiofuranoside] C41H48O23 908.258637 NA MeJP NA NA +PJ075592 CCDDMHW C36H48N10O12S3 908.2616 NA PeJP NA NA +PJ075593 SNNDDDDD C31H44N10O22 908.2632 NA PeJP NA NA +PJ075594 SSCDDDMH C32H48N10O17S2 908.2641 NA PeJP NA NA +PJ075595 SPCCCEMH C33H52N10O12S4 908.2649 NA PeJP NA NA +PJ075596 DDDDDEW C36H44N8O20 908.2672 NA PeJP NA NA +PJ075597 CCNDEYY C37H48N8O15S2 908.2681 NA PeJP NA NA +PJ075598 TCCCMYW C38H52N8O10S4 908.269 NA PeJP NA NA +PJ075599 SPDDDDDM C33H48N8O20S 908.2706 NA PeJP NA NA +PJ075600 SSSCCEMY C34H52N8O15S3 908.2715 NA PeJP NA NA +PJ075601 CCQMMMY C35H56N8O10S5 908.2723 NA PeJP NA NA +PJ075602 GSCCCNHW C35H48N12O11S3 908.2728 NA PeJP NA NA +PJ075603 GSSSCCNDH C31H48N12O16S2 908.2753 NA PeJP NA NA +PJ075604 GCCNNMMH C32H52N12O11S4 908.2762 NA PeJP NA NA +PJ075605 GPCCNDDW C36H48N10O14S2 908.2793 NA PeJP NA NA +PJ075606 PPCCCCHF C37H52N10O9S4 908.2802 NA PeJP NA NA +PJ075607 GNNDDDEM C32H48N10O19S 908.2818 NA PeJP NA NA +PJ075608 GGGGGDDDEM C32H48N10O19S 908.2819 NA PeJP NA NA +PJ075609 GSCDEMMH C33H52N10O14S3 908.2827 NA PeJP NA NA +MJ097443 Leachianol C C56H44O12 908.283276 NA MeJP NA NA +PJ075610 GCCDYYW C41H48N8O12S2 908.2833 NA PeJP NA NA +PJ075611 CCCMMRY C34H56N10O9S5 908.2836 NA PeJP NA NA +PJ075612 GSSCDDYY C37H48N8O17S 908.2858 NA PeJP NA NA +PJ075613 CCNNNNNN C30H48N14O15S2 908.2865 NA PeJP NA NA +PJ075614 GGGGGGCCNNN C30H48N14O15S2 908.2866 NA PeJP NA NA +PJ075615 GPTCCCYY C38H52N8O12S3 908.2867 NA PeJP NA NA +PJ075616 GCCCCQHR C31H52N14O10S4 908.2874 NA PeJP NA NA +PJ075617 GSDDEEEE C33H48N8O22 908.2884 NA PeJP NA NA +PJ075618 GPDDDEMM C34H52N8O17S2 908.2892 NA PeJP NA NA +PJ075619 GSSCMMMY C35H56N8O12S4 908.2901 NA PeJP NA NA +PJ075620 GCCNNDHF C35H48N12O13S2 908.2906 NA PeJP NA NA +PJ075621 GCNDDDDR C31H48N12O18S 908.2931 NA PeJP NA NA +PJ075622 SSCCNQMH C32H52N12O13S3 908.2939 NA PeJP NA NA +PJ075623 GGGGGGPCCNM C32H52N12O13S3 908.294 NA PeJP NA NA +PJ075624 NNDDDMW C36H48N10O16S 908.2971 NA PeJP NA NA +PJ075625 SCDMMHW C37H52N10O11S3 908.2979 NA PeJP NA NA +PJ075626 TCCEMHW C37H52N10O11S3 908.298 NA PeJP NA NA +PJ075627 SSNNDDEE C32H48N10O21 908.2996 NA PeJP NA NA +PJ075628 SSSDDMMH C33H52N10O16S2 908.3005 NA PeJP NA NA +PJ075629 NDMMMMH C34H56N10O11S4 908.3013 NA PeJP NA NA +PJ075630 GSCCEHHH C34H48N14O12S2 908.3018 NA PeJP NA NA +PJ075631 GCCMFYW C42H52N8O9S3 908.302 NA PeJP NA NA +PJ075632 SDDEEEW C37H48N8O19 908.3036 NA PeJP NA NA +PJ075633 PDDDMMW C38H52N8O14S2 908.3045 NA PeJP NA NA +PJ075634 SSCCCNHR C31H52N14O12S3 908.3052 NA PeJP NA NA +PJ075635 CCQMMFF C39H56N8O9S4 908.3053 NA PeJP NA NA +PJ075636 GACCMMFF C39H56N8O9S4 908.3054 NA PeJP NA NA +PJ075637 NEEEEEM C34H52N8O19S 908.307 NA PeJP NA NA +PJ075638 SSSTCMMY C35H56N8O14S3 908.3078 NA PeJP NA NA +PJ075639 SPPCDEMM C35H56N8O14S3 908.3079 NA PeJP NA NA +PJ075640 GSCNNNDW C35H48N12O15S 908.3083 NA PeJP NA NA +PJ075641 CCKMMMY C36H60N8O9S5 908.3087 NA PeJP NA NA +PJ075642 GSSSNNNDD C31H48N12O20 908.3108 NA PeJP NA NA +PJ075643 SPCCNDDR C32H52N12O15S2 908.3117 NA PeJP NA NA +PJ075644 GCNDEWW C40H48N10O13S 908.3123 NA PeJP NA NA +PJ075645 GGGCDEWW C40H48N10O13S 908.3124 NA PeJP NA NA +PJ075646 CCEMMHR C33H56N12O10S4 908.3126 NA PeJP NA NA +PJ075647 GSSNDDEW C36H48N10O18 908.3148 NA PeJP NA NA +PJ075648 GGGSTDDDW C36H48N10O18 908.3149 NA PeJP NA NA +PJ075649 GSPCNDMW C37H52N10O13S2 908.3157 NA PeJP NA NA +PJ075650 ACMMMHW C38H56N10O8S4 908.3166 NA PeJP NA NA +PJ075651 SCCHHHW C38H48N14O9S2 908.317 NA PeJP NA NA +PJ075652 DDDEEMR C33H52N10O18S 908.3182 NA PeJP NA NA +PJ075653 PDDDDFW C41H48N8O16 908.3189 NA PeJP NA NA +PJ075654 GSSEMMMH C34H56N10O13S3 908.3191 NA PeJP NA NA +PJ075655 SSSCDHHH C34H48N14O14S 908.3196 NA PeJP NA NA +PJ075656 GSCMYYW C42H52N8O11S2 908.3197 NA PeJP NA NA +PJ075657 CNMMHHH C35H52N14O9S3 908.3204 NA PeJP NA NA +PJ075658 GEEEEMW C38H52N8O16S 908.3222 NA PeJP NA NA +PJ075659 GCCNNNER C31H52N14O14S2 908.3229 NA PeJP NA NA +PJ075660 GGGGGGGCCER C31H52N14O14S2 908.323 NA PeJP NA NA +PJ075661 GNMMMYY C39H56N8O11S3 908.3231 NA PeJP NA NA +PJ075662 PCDDHHW C39H48N12O12S 908.3236 NA PeJP NA NA +PJ075663 GCCCCKHR C32H56N14O9S4 908.3238 NA PeJP NA NA +PJ075664 GSTEEEEE C34H52N8O21 908.3247 NA PeJP NA NA +PJ075665 GSPEEEMM C35H56N8O16S2 908.3256 NA PeJP NA NA +PJ075666 GNNNNDDF C35H48N12O17 908.3261 NA PeJP NA NA +PJ075667 GPPDMMMM C36H60N8O11S4 908.3265 NA PeJP NA NA +PJ075668 CNNNQMW C36H52N12O12S2 908.3269 NA PeJP NA NA +PJ075669 GGGGCNQMW C36H52N12O12S2 908.327 NA PeJP NA NA +PJ075670 CNDWWW C44H48N10O10S 908.3276 NA PeJP NA NA +PJ075671 ASCNDDER C32H52N12O17S 908.3294 NA PeJP NA NA +PJ075672 GSNDDDMR C32H52N12O17S 908.3295 NA PeJP NA NA +PJ075673 SSNDDWW C40H48N10O15 908.3301 NA PeJP NA NA +PJ075674 GPCCNEMR C33H56N12O12S3 908.3303 NA PeJP NA NA +PJ075675 GCNNNNHH C33H48N16O13S 908.3308 NA PeJP NA NA +PJ075676 SPCCQWW C41H52N10O10S2 908.331 NA PeJP NA NA +MJ097444 Hedyotol C; 4,4''-Di-O-?-D-glucopyranoside C43H56O21 908.331408 NA MeJP NA NA +MJ097445 Jasurolignoside C43H56O21 908.331408 NA MeJP NA NA +MJ097446 Longifloroside C C43H56O21 908.331408 NA MeJP NA NA +C06407 Precorrin 4 C44H52N4O17 908.3327 NA KEGG NA NA +MJ097447 Precorrin 4 C44H52N4O17 908.332746 NA MeJP NA NA +MetaCyc04288 precorrin-4 [] C44H52N4O17 908.332746 NA metacyc NA NA +PJ075677 SNNEEMW C37H52N10O15S 908.3335 NA PeJP NA NA +PJ075678 SSMMMHW C38H56N10O10S3 908.3343 NA PeJP NA NA +PJ075679 GGGAPCMMW C38H56N10O10S3 908.3344 NA PeJP NA NA +PJ075680 CNDHHHF C38H48N14O11S 908.3348 NA PeJP NA NA +PJ075681 GCCFFFW C46H52N8O8S2 908.335 NA PeJP NA NA +PJ075682 SSSNQEEE C33H52N10O20 908.336 NA PeJP NA NA +PJ075683 SSSTEMMH C34H56N10O15S2 908.3368 NA PeJP NA NA +PJ075684 GGGAQEEMM C34H56N10O15S2 908.3369 NA PeJP NA NA +PJ075685 DDDDHHR C34H48N14O16 908.3373 NA PeJP NA NA +PJ075686 EEEMWW C42H52N8O13S 908.3375 NA PeJP NA NA +PJ075687 TQMMMMH C35H60N10O10S4 908.3377 NA PeJP NA NA +PJ075688 CCNNNRW C35H52N14O11S2 908.3382 NA PeJP NA NA +PJ075689 STEEEEW C38H52N8O18 908.34 NA PeJP NA NA +PJ075690 SSCNNNDR C31H52N14O16S 908.3407 NA PeJP NA NA +PJ075691 SSQMMYY C39H56N8O13S2 908.3408 NA PeJP NA NA +PJ075692 SPEEMMW C39H56N8O13S2 908.3409 NA PeJP NA NA +PJ075693 GDEEHHW C39H48N12O14 908.3413 NA PeJP NA NA +PJ075694 GPCCCDRR C32H56N14O11S3 908.3416 NA PeJP NA NA +PJ075695 CCKMMFF C40H60N8O8S4 908.3417 NA PeJP NA NA +PJ075696 DKEEEEM C35H56N8O18S 908.3434 NA PeJP NA NA +PJ075697 AAPEEMMM C36H60N8O13S3 908.3442 NA PeJP NA NA +PJ075698 SCNDERW C36H52N12O14S 908.3447 NA PeJP NA NA +PJ075699 PCCNMRW C37H56N12O9S3 908.3456 NA PeJP NA NA +PJ075700 CMHFWW C45H52N10O7S2 908.3462 NA PeJP NA NA +PJ075701 SSSNDDER C32H52N12O19 908.3472 NA PeJP NA NA +PJ075702 NNDEMMR C33H56N12O14S2 908.3481 NA PeJP NA NA +PJ075703 GSNEMWW C41H52N10O12S 908.3487 NA PeJP NA NA +PJ075704 TCMMMHR C34H60N12O9S4 908.3489 NA PeJP NA NA +PJ075705 PPCCCCKR C34H60N12O9S4 908.349 NA PeJP NA NA +PJ075706 GSSSQEEW C37H52N10O17 908.3512 NA PeJP NA NA +PJ075707 GGGGGAEEEF C37H52N10O17 908.3513 NA PeJP NA NA +PJ075708 GQQEMMW C38H56N10O12S2 908.3521 NA PeJP NA NA +PJ075709 SNNDHHW C38H48N14O13 908.3526 NA PeJP NA NA +PJ075710 CQFYYW C46H52N8O10S 908.3527 NA PeJP NA NA +PJ075711 SEEEEMR C34H56N10O17S 908.3546 NA PeJP NA NA +PJ075712 APDEEYW C42H52N8O15 908.3552 NA PeJP NA NA +PJ075713 GPEEEYW C42H52N8O15 908.3553 NA PeJP NA NA +PJ075714 PDEMMMR C35H60N10O12S3 908.3555 NA PeJP NA NA +PJ075715 SSSSMHHH C35H52N14O13S 908.3559 NA PeJP NA NA +PJ075716 GGGGQEMHH C35H52N14O13S 908.356 NA PeJP NA NA +PJ075717 PPCEMFW C43H56N8O10S2 908.3561 NA PeJP NA NA +PJ075718 DEHHWW C43H48N12O11 908.3566 NA PeJP NA NA +PJ075719 SVEEEMW C39H56N8O15S 908.3586 NA PeJP NA NA +PJ075720 CNDDMRR C32H56N14O13S2 908.3593 NA PeJP NA NA +PJ075721 PVDMMMW C40H60N8O10S3 908.3595 NA PeJP NA NA +PJ075722 GSCDRWW C40H52N12O11S 908.36 NA PeJP NA NA +PJ075723 SSSLEEEE C35H56N8O20 908.3611 NA PeJP NA NA +PJ075724 LQEEEMM C36H60N8O15S2 908.362 NA PeJP NA NA +PJ075725 SSSSNNQW C36H52N12O16 908.3624 NA PeJP NA NA +PJ075726 GSSSDDRW C36H52N12O16 908.3625 NA PeJP NA NA +PJ075727 APPTMMMM C37H64N8O10S4 908.3629 NA PeJP NA NA +PJ075728 GNDMMRW C37H56N12O11S2 908.3633 NA PeJP NA NA +PJ075729 GGGGGGCKMW C37H56N12O11S2 908.3634 NA PeJP NA NA +PJ075730 SNMWWW C45H52N10O9S 908.364 NA PeJP NA NA +PJ075731 GSSNEEMR C33H56N12O16S 908.3658 NA PeJP NA NA +PJ075732 GGGGGGSSDKM C33H56N12O16S 908.3659 NA PeJP NA NA +PJ075733 SSSQEWW C41H52N10O14 908.3665 NA PeJP NA NA +PJ075734 GSPCQMMR C34H60N12O11S3 908.3667 NA PeJP NA NA +PJ075735 CNNEHHR C34H52N16O12S 908.3672 NA PeJP NA NA +PJ075736 QQMMWW C42H56N10O9S2 908.3673 NA PeJP NA NA +PJ075737 GAQMMWW C42H56N10O9S2 908.3674 NA PeJP NA NA +PJ075738 STQQEMW C38H56N10O14S 908.3698 NA PeJP NA NA +PJ075739 SNDKEMW C38H56N10O14S 908.3699 NA PeJP NA NA +PJ075740 PEEYWW C46H52N8O12 908.3705 NA PeJP NA NA +PJ075741 GGGSCCNRR C31H56N16O12S2 908.3706 NA PeJP NA NA +PJ075742 PCNKMMW C39H60N10O9S3 908.3707 NA PeJP NA NA +PJ075743 GNQMHHW C39H52N14O10S 908.3712 NA PeJP NA NA +PJ075744 SSTTQQEE C34H56N10O19 908.3723 NA PeJP NA NA +PJ075745 SSSNKEEE C34H56N10O19 908.3724 NA PeJP NA NA +PJ075746 VDEEMMR C35H60N10O14S2 908.3732 NA PeJP NA NA +PJ075747 NNNNDRY C35H52N14O15 908.3737 NA PeJP NA NA +PJ075748 SPPEMYW C43H56N8O12S 908.3739 NA PeJP NA NA +PJ075749 TKMMMMH C36H64N10O9S4 908.3741 NA PeJP NA NA +PJ075750 GCCERRW C36H56N14O10S2 908.3746 NA PeJP NA NA +PJ075751 NNNHHHH C36H48N18O11 908.375 NA PeJP NA NA +PJ075752 GGGGNHHHH C36H48N18O11 908.3751 NA PeJP NA NA +PJ075753 SSSTTTYY C39H56N8O17 908.3764 NA PeJP NA NA +PJ075754 GSSCDERR C32H56N14O15S 908.3771 NA PeJP NA NA +PJ075755 ALEEMMW C40H60N8O12S2 908.3772 NA PeJP NA NA +PJ075756 VVDEMMW C40H60N8O12S2 908.3773 NA PeJP NA NA +PJ075757 GNNQQYW C40H52N12O13 908.3777 NA PeJP NA NA +PJ075758 GSPCCMRR C33H60N14O10S3 908.3779 NA PeJP NA NA +PJ075759 CQMRWW C41H56N12O8S2 908.3786 NA PeJP NA NA +PJ075760 PTTTTEEM C36H60N8O17S 908.3797 NA PeJP NA NA +PJ075761 GTTLEEEM C36H60N8O17S 908.3798 NA PeJP NA NA +PJ075762 GPTLEMMM C37H64N8O12S3 908.3806 NA PeJP NA NA +PJ075763 SSNEMRW C37H56N12O13S 908.3811 NA PeJP NA NA +PJ075764 GSSTWWW C45H52N10O11 908.3817 NA PeJP NA NA +PJ075765 GGGAEFWW C45H52N10O11 908.3818 NA PeJP NA NA +PJ075766 GMMMHFR C38H60N12O8S3 908.382 NA PeJP NA NA +PJ075767 GCNHHRW C38H52N16O9S 908.3824 NA PeJP NA NA +PJ075768 SSSSQEER C33H56N12O18 908.3836 NA PeJP NA NA +PJ075769 SQQEMMR C34H60N12O13S2 908.3844 NA PeJP NA NA +PJ075770 TNQEMMR C34H60N12O13S2 908.3845 NA PeJP NA NA +PJ075771 GSSNDHHR C34H52N16O14 908.3849 NA PeJP NA NA +PJ075772 GSDKMWW C42H56N10O11S 908.3851 NA PeJP NA NA +PJ075773 GSSSKEEW C38H56N10O16 908.3876 NA PeJP NA NA +C11626 Vinblastine sulfate C46H58N4O9 908.3878 NA KEGG NA NA +PJ075774 GQKEMMW C39H60N10O11S2 908.3885 NA PeJP NA NA +PJ075775 SSQQHHW C39H52N14O12 908.3889 NA PeJP NA NA +PJ075776 GGSTQHHW C39H52N14O12 908.389 NA PeJP NA NA +PJ075777 CKFYYW C47H56N8O9S 908.3891 NA PeJP NA NA +PJ075778 CCRRWW C40H56N14O7S2 908.3898 NA PeJP NA NA +PJ075779 GSTQKEEM C35H60N10O16S 908.391 NA PeJP NA NA +PJ075780 SPVEEYW C43H56N8O14 908.3916 NA PeJP NA NA +PJ075781 ASPNKMMM C36H64N10O11S3 908.3918 NA PeJP NA NA +PJ075782 GSPQKMMM C36H64N10O11S3 908.3919 NA PeJP NA NA +PJ075783 SSCDRRW C36H56N14O12S 908.3923 NA PeJP NA NA +PJ075784 GGGGGGGGMFR C36H56N14O12S 908.3924 NA PeJP NA NA +PJ075785 PPCLMYW C44H60N8O9S2 908.3925 NA PeJP NA NA +PJ075786 GPEHHFW C44H52N12O10 908.393 NA PeJP NA NA +PJ075787 SSSSDDRR C32H56N14O17 908.3948 NA PeJP NA NA +PJ075788 TTLEEMW C40H60N8O14S 908.395 NA PeJP NA NA +PJ075789 SNDMMRR C33H60N14O12S2 908.3957 NA PeJP NA NA +PJ075790 PTLMMMW C41H64N8O9S3 908.3959 NA PeJP NA NA +PJ075791 GSSMRWW C41H56N12O10S 908.3963 NA PeJP NA NA +PJ075792 GGAPCRYW C41H56N12O10S 908.3964 NA PeJP NA NA +PJ075793 GQFWWW C49H52N10O8 908.397 NA PeJP NA NA +PJ075794 STTTLEEE C36H60N8O19 908.3975 NA PeJP NA NA +PJ075795 LKEEEMM C37H64N8O14S2 908.3984 NA PeJP NA NA +PJ075796 GSSSTERW C37H56N12O15 908.3988 NA PeJP NA NA +PJ075797 GGGGSSSSKW C37H56N12O15 908.3989 NA PeJP NA NA +PJ075798 GPVLMMMM C38H68N8O9S4 908.3993 NA PeJP NA NA +PJ075799 GTQMMRW C38H60N12O10S2 908.3997 NA PeJP NA NA +PJ075800 VNEHHHH C38H52N16O11 908.4002 NA PeJP NA NA +PJ075801 TCKWWW C46H56N10O8S 908.4004 NA PeJP NA NA +PJ075802 GSSDKEMR C34H60N12O15S 908.4022 NA PeJP NA NA +PJ075803 SSSKEWW C42H56N10O13 908.4029 NA PeJP NA NA +PJ075804 VNQMMMR C35H64N12O10S3 908.4031 NA PeJP NA NA +PJ075805 SNQMHHR C35H56N16O11S 908.4035 NA PeJP NA NA +PJ075806 GGSQMHHR C35H56N16O11S 908.4036 NA PeJP NA NA +PJ075807 QKMMWW C43H60N10O8S2 908.4037 NA PeJP NA NA +PJ075808 GQHHHFF C43H52N14O9 908.4042 NA PeJP NA NA +PJ075809 STQKEMW C39H60N10O13S 908.4062 NA PeJP NA NA +PJ075810 GGGAPKEMY C39H60N10O13S 908.4063 NA PeJP NA NA +PJ075811 LEEFWW C47H56N8O11 908.4069 NA PeJP NA NA +PJ075812 PPMMMFR C40H64N10O8S3 908.4071 NA PeJP NA NA +PJ075813 PPCNHRW C40H56N14O9S 908.4076 NA PeJP NA NA +PJ075814 PHHFWW C48H52N12O7 908.4082 NA PeJP NA NA +PJ075815 SSSDKKEE C35H60N10O18 908.4087 NA PeJP NA NA +PJ075816 TLEEMMR C36H64N10O13S2 908.4096 NA PeJP NA NA +PJ075817 GNDERRY C36H56N14O14 908.4101 NA PeJP NA NA +PJ075818 AAKMYYY C44H60N8O11S 908.4102 NA PeJP NA NA +PJ075819 APLEMYW C44H60N8O11S 908.4103 NA PeJP NA NA +PJ075820 PLMMMMR C37H68N10O8S4 908.4105 NA PeJP NA NA +PJ075821 ASCMRRW C37H60N14O9S2 908.4109 NA PeJP NA NA +PJ075822 GTCMRRW C37H60N14O9S2 908.411 NA PeJP NA NA +PJ075823 GEHHHHR C37H52N18O10 908.4114 NA PeJP NA NA +PJ075824 LMHHWW C45H56N12O7S 908.4116 NA PeJP NA NA +PJ075825 VLQEEEY C40H60N8O16 908.4128 NA PeJP NA NA +PJ075826 ASSSDMRR C33H60N14O14S 908.4134 NA PeJP NA NA +PJ075827 GSSSEMRR C33H60N14O14S 908.4135 NA PeJP NA NA +PJ075828 SLLEMMW C41H64N8O11S2 908.4136 NA PeJP NA NA +PJ075829 SSSTRWW C41H56N12O12 908.4141 NA PeJP NA NA +PJ075830 GQMMMRR C34H64N14O9S3 908.4143 NA PeJP NA NA +PJ075831 SCNHHRR C34H56N18O10S 908.4148 NA PeJP NA NA +PJ075832 CKMRWW C42H60N12O7S2 908.415 NA PeJP NA NA +PJ075833 GVHHHHW C42H52N16O8 908.4155 NA PeJP NA NA +PJ075834 SSTLLEEM C37H64N8O16S 908.4161 NA PeJP NA NA +PJ075835 AALLEMMM C38H68N8O11S3 908.417 NA PeJP NA NA +PJ075836 SSDKMRW C38H60N12O12S 908.4175 NA PeJP NA NA +MJ097448 Biphalin C46H56N10O10 908.418088 NA MeJP NA NA +PJ075837 VQQYWW C46H56N10O10 908.4181 NA PeJP NA NA +PJ075838 SSSSKEER C34H60N12O17 908.42 NA PeJP NA NA +PJ075839 SQKEMMR C35H64N12O12S2 908.4208 NA PeJP NA NA +PJ075840 GGTKEMMR C35H64N12O12S2 908.4209 NA PeJP NA NA +PJ075841 PNDDHRR C35H56N16O13 908.4213 NA PeJP NA NA +PJ075842 GTTKMWW C43H60N10O10S 908.4215 NA PeJP NA NA +PJ075843 GSTTTKEW C39H60N10O15 908.424 NA PeJP NA NA +PJ075844 GKKEMMW C40H64N10O10S2 908.4249 NA PeJP NA NA +PJ075845 NDRRYW C40H56N14O11 908.4253 NA PeJP NA NA +PJ075846 GGAPEHRW C40H56N14O11 908.4254 NA PeJP NA NA +PJ075847 PPCLFFW C48H60N8O8S 908.4255 NA PeJP NA NA +PJ075848 GCMMRRR C33H64N16O8S3 908.4256 NA PeJP NA NA +PJ075849 HHHHRW C41H52N18O7 908.4267 NA PeJP NA NA +PJ075850 GSTKKEEM C36H64N10O15S 908.4274 NA PeJP NA NA +PJ075851 GLLEEYW C44H60N8O13 908.428 NA PeJP NA NA +PJ075852 VLEMMMR C37H68N10O10S3 908.4282 NA PeJP NA NA +PJ075853 GGAALKMMM C37H68N10O10S3 908.4283 NA PeJP NA NA +PJ075854 SSSMRRW C37H60N14O11S 908.4287 NA PeJP NA NA +PJ075855 PVVMMFW C45H64N8O8S2 908.4289 NA PeJP NA NA +PJ075856 AQRYWW C45H56N12O9 908.4294 NA PeJP NA NA +PJ075857 SSSSTERR C33H60N14O16 908.4312 NA PeJP NA NA +PJ075858 PLKEEMY C41H64N8O13S 908.4314 NA PeJP NA NA +PJ075859 STQMMRR C34H64N14O11S2 908.4321 NA PeJP NA NA +PJ075860 VVLMMMW C42H68N8O8S3 908.4323 NA PeJP NA NA +PJ075861 GPCKRYW C42H60N12O9S 908.4327 NA PeJP NA NA +PJ075862 GKFWWW C50H56N10O7 908.4334 NA PeJP NA NA +PJ075863 ATTLLEMM C38H68N8O13S2 908.4348 NA PeJP NA NA +PJ075864 SSSSSLRW C38H60N12O14 908.4352 NA PeJP NA NA +PJ075865 GGGGGGKKEY C38H60N12O14 908.4353 NA PeJP NA NA +PJ075866 GTKMMRW C39H64N12O9S2 908.4361 NA PeJP NA NA +PJ075867 GQQHHFR C39H56N16O10 908.4366 NA PeJP NA NA +PJ075868 GSTTKEMR C35H64N12O14S 908.4386 NA PeJP NA NA +PJ075869 STTTKWW C43H60N10O12 908.4392 NA PeJP NA NA +PJ075870 GVQKEYW C43H60N10O12 908.4393 NA PeJP NA NA +PJ075871 VNKMMMR C36H68N12O9S3 908.4395 NA PeJP NA NA +PJ075872 SNKMHHR C36H60N16O10S 908.4399 NA PeJP NA NA +PJ075873 GCDFRRR C36H60N16O10S 908.44 NA PeJP NA NA +PJ075874 KKMMWW C44H64N10O7S2 908.4401 NA PeJP NA NA +MJ097449 Spirostane-2,3,5,6,24-pentol, 3-Benzoyl, 2,24-di-O-?-D-glucopyranoside C46H68O18 908.440565 NA MeJP NA NA +PJ075875 PQHRWW C44H56N14O8 908.4406 NA PeJP NA NA +MJ097450 Mycalolide A C47H64N4O14 908.441902 NA MeJP NA NA +PJ075876 STKKEMW C40H64N10O12S 908.4426 NA PeJP NA NA +PJ075877 LLEYWW C48H60N8O10 908.4433 NA PeJP NA NA +PJ075878 NMFRRW C41H60N14O8S 908.444 NA PeJP NA NA +PJ075879 SSTTKKEE C36H64N10O17 908.4451 NA PeJP NA NA +PJ075880 DKKKEMM C37H68N10O12S2 908.446 NA PeJP NA NA +PJ075881 GTQERRY C37H60N14O13 908.4465 NA PeJP NA NA +PJ075882 SPLLMYW C45H64N8O10S 908.4466 NA PeJP NA NA +PJ075883 CLLLDFW C45H64N8O10S 908.4467 NA PeJP NA NA +PJ075884 PCCKFRR C38H64N14O8S2 908.4473 NA PeJP NA NA +PJ075885 SVHHHHR C38H56N18O9 908.4478 NA PeJP NA NA +PJ075886 SSPTLLEY C41H64N8O15 908.4491 NA PeJP NA NA +PJ075887 VLKEEEY C41H64N8O15 908.4492 NA PeJP NA NA +PJ075888 GSTTTMRR C34H64N14O13S 908.4498 NA PeJP NA NA +PJ075889 AAPLLMMY C42H68N8O10S2 908.45 NA PeJP NA NA +PJ075890 QKERYW C42H60N12O11 908.4505 NA PeJP NA NA +PJ075891 GKMMMRR C35H68N14O8S3 908.4507 NA PeJP NA NA +PJ075892 TTTTLLEM C38H68N8O15S 908.4525 NA PeJP NA NA +PJ075893 GTLLLMMM C39H72N8O10S3 908.4534 NA PeJP NA NA +PJ075894 STTKMRW C39H64N12O11S 908.4538 NA PeJP NA NA +PJ075895 PTNKMRY C39H64N12O11S 908.4539 NA PeJP NA NA +PJ075896 VQKYWW C47H60N10O9 908.4545 NA PeJP NA NA +2676 NA GGVYACRMGPITWVCSPLGG 908.4562 MH2+ Inhouse_peptide NA peptide +PJ075897 TTTTTTQR C35H64N12O16 908.4563 NA PeJP NA NA +PJ075898 SSTTTKER C35H64N12O16 908.4564 NA PeJP NA NA +PJ075899 SKKEMMR C36H68N12O11S2 908.4572 NA PeJP NA NA +PJ075900 GSDRRRY C36H60N16O12 908.4577 NA PeJP NA NA +PJ075901 GPKKMYW C44H64N10O9S 908.4579 NA PeJP NA NA +PJ075902 SSSTTLKW C40H64N10O14 908.4604 NA PeJP NA NA +PJ075903 SVKKMMW C41H68N10O9S2 908.4612 NA PeJP NA NA +PJ075904 TCLKKMW C41H68N10O9S2 908.4613 NA PeJP NA NA +PJ075905 TQRRYW C41H60N14O10 908.4617 NA PeJP NA NA +PJ075906 SSSLKKEM C37H68N10O14S 908.4637 NA PeJP NA NA +PJ075907 ATTTKKEM C37H68N10O14S 908.4638 NA PeJP NA NA +PJ075908 SVLLEYW C45H64N8O12 908.4644 NA PeJP NA NA +PJ075909 LQKKMMM C38H72N10O9S3 908.4646 NA PeJP NA NA +PJ075910 GVQMRRY C38H64N14O10S 908.4651 NA PeJP NA NA +PJ075911 AKRYWW C46H60N12O8 908.4657 NA PeJP NA NA +PJ075912 GPVKHWW C46H60N12O8 908.4658 NA PeJP NA NA +PJ075913 SSTTTTRR C34H64N14O15 908.4676 NA PeJP NA NA +PJ075914 LLLQEMY C42H68N8O12S 908.4678 NA PeJP NA NA +PJ075915 STKMMRR C35H68N14O10S2 908.4685 NA PeJP NA NA +PJ075916 GQQQHRR C35H60N18O11 908.4689 NA PeJP NA NA +PJ075917 GGGAAQHRR C35H60N18O11 908.469 NA PeJP NA NA +PJ075918 AAKMFRW C43H64N12O8S 908.4691 NA PeJP NA NA +PJ075919 STTLLLMM C39H72N8O12S2 908.4711 NA PeJP NA NA +PJ075920 GKKEERY C39H64N12O13 908.4716 NA PeJP NA NA +PJ075921 GGGGGGGAPPLL C39H64N12O13 908.4717 NA PeJP NA NA +PJ075922 PCKKMFR C40H68N12O8S2 908.4725 NA PeJP NA NA +PJ075923 GPTHRRW C40H60N16O9 908.473 NA PeJP NA NA +PJ075924 SSSTLKMR C36H68N12O13S 908.475 NA PeJP NA NA +PJ075925 GVKKEYW C44H64N10O11 908.4756 NA PeJP NA NA +PJ075926 GPPPLDKW C44H64N10O11 908.4757 NA PeJP NA NA +PJ075927 CLKKMMR C37H72N12O8S3 908.4759 NA PeJP NA NA +PJ075928 QMRRRY C37H64N16O9S 908.4763 NA PeJP NA NA +MJ097451 3,19,20-Trihydroxy-11,13(18)-ursadien-28-oic acid, 28?20 Lactone, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] C47H72O17 908.47695 NA MeJP NA NA +PJ075929 PKHRWW C45H60N14O7 908.477 NA PeJP NA NA +PJ075930 VVLEMRY C41H68N10O11S 908.479 NA PeJP NA NA +PJ075931 APLLFYW C49H64N8O9 908.4797 NA PeJP NA NA +PJ075932 GNNHRRR C34H60N20O10 908.4802 NA PeJP NA NA +PJ075933 TTTTTKKE C37H68N10O16 908.4815 NA PeJP NA NA +PJ075934 GTTLKKMM C38H72N10O11S2 908.4824 NA PeJP NA NA +PJ075935 ASKERRY C38H64N14O12 908.4828 NA PeJP NA NA +PJ075936 GTKERRY C38H64N14O12 908.4829 NA PeJP NA NA +PJ075937 ALLLMYW C46H68N8O9S 908.483 NA PeJP NA NA +PJ075938 GTTLLLEY C42H68N8O14 908.4855 NA PeJP NA NA +PJ075939 AALLLMMF C43H72N8O9S2 908.4864 NA PeJP NA NA +MJ097452 Schistostatin 6 C43H64N12O10 908.486836 NA MeJP NA NA +PJ075940 KKERYW C43H64N12O10 908.4869 NA PeJP NA NA +PJ075941 CRRRRY C36H64N18O8S 908.4876 NA PeJP NA NA +PJ075942 SPKKMRY C40H68N12O10S 908.4902 NA PeJP NA NA +PJ075943 GAALKMRY C40H68N12O10S 908.4903 NA PeJP NA NA +PJ075944 VKKYWW C48H64N10O8 908.4909 NA PeJP NA NA +PJ075945 TTTTTTKR C36H68N12O15 908.4927 NA PeJP NA NA +PJ075946 GSCKKKKM C37H72N12O10S2 908.4936 NA PeJP NA NA +PJ075947 GTTRRRY C37H64N16O11 908.4941 NA PeJP NA NA +PJ075948 GLKKMFW C45H68N10O8S 908.4943 NA PeJP NA NA +PJ075949 VDKKKEY C41H68N10O13 908.4968 NA PeJP NA NA +PJ075950 VLLMMFR C42H72N10O8S2 908.4976 NA PeJP NA NA +PJ075951 TKRRYW C42H64N14O9 908.4981 NA PeJP NA NA +PJ075952 STTTLKKM C38H72N10O13S 908.5001 NA PeJP NA NA +MJ097453 Aselacin A C46H68N8O11 908.500755 NA MeJP NA NA +PJ075953 TTLLLYW C46H68N8O11 908.5008 NA PeJP NA NA +PJ075954 LKKKMMM C39H76N10O8S3 908.501 NA PeJP NA NA +PJ075955 GVKMRRY C39H68N14O9S 908.5015 NA PeJP NA NA +PJ075956 LLLKEMY C43H72N8O11S 908.5042 NA PeJP NA NA +PJ075957 GVEHRRR C36H64N18O10 908.5053 NA PeJP NA NA +PJ075958 SVKKERY C40H68N12O12 908.508 NA PeJP NA NA +PJ075959 QFFRRR C41H64N16O8 908.5093 NA PeJP NA NA +PJ075960 AALHRRW C41H64N16O8 908.5094 NA PeJP NA NA +PJ075961 SSTCKKKK C37H72N12O12S 908.5114 NA PeJP NA NA +PJ075962 ATLKKYW C45H68N10O10 908.512 NA PeJP NA NA +PJ075963 KMRRRY C38H68N16O8S 908.5127 NA PeJP NA NA +MJ097454 Xestovanin A; 10,27-Didehydro, 4''-O-?-L-rhamnopyranoside C48H76O16 908.513336 NA MeJP NA NA +PJ075964 TLLLMRY C42H72N10O10S 908.5154 NA PeJP NA NA +PJ075965 ALLLFFW C50H68N8O8 908.516 NA PeJP NA NA +PJ075966 VVVLFFW C50H68N8O8 908.5161 NA PeJP NA NA +PJ075967 EHRRRR C35H64N20O9 908.5166 NA PeJP NA NA +MJ097455 Cephalostatin 5 C54H72N2O10 908.518696 NA MeJP NA NA +PJ075968 SSLKRRY C39H68N14O11 908.5192 NA PeJP NA NA +PJ075969 AAPPLERR C39H68N14O11 908.5193 NA PeJP NA NA +PJ075970 VHRRRW C40H64N18O7 908.5206 NA PeJP NA NA +PJ075971 SSTLLLLY C43H72N8O13 908.5219 NA PeJP NA NA +PJ075972 PPLLQRW C44H68N12O9 908.5233 NA PeJP NA NA +PJ075973 ALKKMRY C41H72N12O9S 908.5266 NA PeJP NA NA +C11243 Bacterio-chlorophyll b C55H72MgN4O6 908.5302 NA KEGG NA NA +C11244 Bacterio-chlorophyll c C44H48MgN4O4R4 908.5302 NA KEGG NA NA +C18151 7-Hydroxychlorophyll a C55H72MgN4O6 908.5302 NA KEGG NA NA +MetaCyc04289 7-hydroxy-chlorophyll a [7-OH-chlorophyll a;] C55H72N4O6MG1 908.530228 NA metacyc NA NA +PJ075974 PPVERRR C38H68N16O10 908.5305 NA PeJP NA NA +PJ075975 TLKKKEY C42H72N10O12 908.5331 NA PeJP NA NA +PJ075976 GSTLLKKY C42H72N10O12 908.5332 NA PeJP NA NA +PJ075977 PPVVRRW C43H68N14O8 908.5345 NA PeJP NA NA +PJ075978 PLLLKYY C47H72N8O10 908.5372 NA PeJP NA NA +PJ075979 PLKKMHR C40H72N14O8S 908.5379 NA PeJP NA NA +PJ075980 ATLHRRR C37H68N18O9 908.5417 NA PeJP NA NA +PJ075981 TTLKKRY C41H72N12O11 908.5444 NA PeJP NA NA +PJ075982 KFFRRR C42H68N16O7 908.5457 NA PeJP NA NA +PJ075983 GPPVLLKW C46H72N10O9 908.5484 NA PeJP NA NA +PJ075984 VLKKKMY C43H76N10O9S 908.5518 NA PeJP NA NA +PJ075985 GPPTLLRR C40H72N14O10 908.5556 NA PeJP NA NA +PJ075986 ALKKFFR C45H72N12O8 908.5596 NA PeJP NA NA +PJ075987 PPLLKRW C45H72N12O8 908.5597 NA PeJP NA NA +PJ075988 CKKKKKF C42H76N12O8S 908.563 NA PeJP NA NA +PJ075989 SLLKHRR C39H72N16O9 908.5669 NA PeJP NA NA +PJ075990 STLLLLLH C43H76N10O11 908.5695 NA PeJP NA NA +PJ075991 PPVVLKKE C43H76N10O11 908.5696 NA PeJP NA NA +PJ075992 LLLLKFY C48H76N8O9 908.5736 NA PeJP NA NA +PJ075993 PPLLLLLM C45H80N8O9S 908.5769 NA PeJP NA NA +PJ075994 GKKKHRR C38H72N18O8 908.5781 NA PeJP NA NA +PJ075995 SKKKKKY C42H76N12O10 908.5808 NA PeJP NA NA +PJ075996 VLKKKFF C47H76N10O8 908.5848 NA PeJP NA NA +PJ075997 AAPLLLRR C41H76N14O9 908.592 NA PeJP NA NA +PJ075998 PVLLLLLE C45H80N8O11 908.5947 NA PeJP NA NA +PJ075999 PVLLRRR C40H76N16O8 908.6033 NA PeJP NA NA +PJ076000 PPTLLLKK C44H80N10O10 908.6059 NA PeJP NA NA +MJ097456 Bassianolide C48H84N4O12 908.608574 NA MeJP NA NA +PJ076001 GPLLLLKR C43H80N12O9 908.6172 NA PeJP NA NA +PJ076002 LKKKKKH C42H80N14O8 908.6284 NA PeJP NA NA +PJ076003 PVVLLLKK C45H84N10O9 908.6423 NA PeJP NA NA +PJ076004 VLLLLLLL C47H88N8O9 908.6675 NA PeJP NA NA +HMDB05387 TG(16:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H104O6 908.78326 http://www.hmdb.ca/metabolites/HMDB05387 HMDB NA NA +HMDB05406 TG(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H104O6 908.78326 http://www.hmdb.ca/metabolites/HMDB05406 HMDB NA NA +HMDB05429 TG(16:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C59H104O6 908.78326 http://www.hmdb.ca/metabolites/HMDB05429 HMDB NA NA +HMDB05473 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:1(11Z))[iso3] C59H104O6 908.78326 http://www.hmdb.ca/metabolites/HMDB05473 HMDB NA NA +HMDB05387 TG(16:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H104O6 908.78326 HMDB05387 PFEM_hmdb_metabocards_official NA NA +HMDB05406 TG(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H104O6 908.78326 HMDB05406 PFEM_hmdb_metabocards_official NA NA +HMDB05429 TG(16:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C59H104O6 908.78326 HMDB05429 PFEM_hmdb_metabocards_official NA NA +HMDB05473 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:1(11Z))[iso3] C59H104O6 908.78326 HMDB05473 PFEM_hmdb_metabocards_official NA NA +HMDB05387 TG(16:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H104O6 908.783264 NA HMDB2010 NA NA +HMDB05406 TG(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C59H104O6 908.783264 NA HMDB2010 NA NA +HMDB05429 TG(16:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C59H104O6 908.783264 NA HMDB2010 NA NA +HMDB05473 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:1(11Z))[iso3] C59H104O6 908.783264 NA HMDB2010 NA NA +HMDB10462 TG(18:1(9Z)/18:1(9Z)/20:3(5Z,8Z,11Z))[iso3] C59H104O6 908.783264 NA HMDB2010 NA NA +HMDB10463 TG(18:1(9Z)/18:1(9Z)/20:3(8Z,11Z,14Z))[iso3] C59H104O6 908.783264 NA HMDB2010 NA NA +HMDB10484 TG(18:2(9Z,12Z)/18:1(9Z)/20:2(11Z,14Z))[iso6] C59H104O6 908.783264 NA HMDB2010 NA NA +C02232 3-Oxoadipyl-CoA C27H42N7O20P3S 909.1418 NA KEGG NA NA +MJ097457 3-Oxoadipyl-CoA C27H42N7O20P3S 909.141817 NA MeJP NA NA +MetaCyc04290 β-ketoadipyl-CoA [β-ketoadipyl-CoA;3-ketoadipyl-CoA;3-keto-adipyl-coa;3-oxoadipyl-CoA;] C27H42N7O20P3S1 909.141817 NA metacyc NA NA +PJ076005 GSCCCCCCE C28H47N9O13S6 909.1618 NA PeJP NA NA +PJ076006 SCCCCCCW C32H47N9O10S6 909.1771 NA PeJP NA NA +C01063 6-Carboxyhexanoyl-CoA C28H46N7O19P3S 909.1782 NA KEGG NA NA +C01064 CMP-N-acylneuraminate C19H28N4O16PR 909.1782 NA KEGG NA NA +C01065 Coagulation Factor Xa C19H28N4O16PR 909.1782 NA KEGG NA NA +C09824 2,6-Dihydroxycyclohexane-1-carboxyl-CoA C28H46N7O19P3S 909.1782 NA KEGG NA NA +MJ097458 6-Carboxyhexanoyl-CoA C28H46N7O19P3S 909.178202 NA MeJP NA NA +MetaCyc04291 pimelyl-CoA [6-carboxyhexanoyl-CoA;pimeloyl-CoA;] C28H46N7O19P3S1 909.178203 NA metacyc NA NA +PJ076007 SSSCCCCCD C28H47N9O15S5 909.1796 NA PeJP NA NA +PJ076008 CCCCCNMM C29H51N9O10S7 909.1804 NA PeJP NA NA +PJ076009 CCCCCNDF C32H47N9O12S5 909.1948 NA PeJP NA NA +PJ076010 GSTCCCCCM C29H51N9O12S6 909.1982 NA PeJP NA NA +MJ097459 Platonin; Iodide C38H61I2N3S3 909.211697 NA MeJP NA NA +PJ076011 SCCCCNDY C32H47N9O14S4 909.2126 NA PeJP NA NA +C05266 (S)-Hydroxyoctanoyl-CoA C29H50N7O18P3S 909.2146 NA KEGG NA NA +HMDB03940 (S)-Hydroxyoctanoyl-CoA C29H50N7O18P3S 909.2146 NA HMDB2010 NA NA +PJ076012 SSSSCCCCM C29H51N9O14S5 909.2159 NA PeJP NA NA +PJ076013 GCCCCQMY C33H51N9O11S5 909.2312 NA PeJP NA NA +PJ076014 CCCCNNNH C30H47N13O12S4 909.235 NA PeJP NA NA +PJ076015 GGGGCCCCNH C30H47N13O12S4 909.2351 NA PeJP NA NA +PJ076016 SCCCNDEH C31H47N11O15S3 909.2416 NA PeJP NA NA +PJ076017 GCCCCCRY C32H51N11O10S5 909.2424 NA PeJP NA NA +PJ076018 SNDDDDDD C31H43N9O23 909.2472 NA PeJP NA NA +PJ076019 PCCNDDDE C32H47N9O18S2 909.2481 NA PeJP NA NA +PJ076020 SSCCCNMY C33H51N9O13S4 909.2489 NA PeJP NA NA +PJ076021 GGSSCCCMY C33H51N9O13S4 909.249 NA PeJP NA NA +PJ076022 CCDDEYY C37H47N7O16S2 909.2521 NA PeJP NA NA +PJ076023 CCEMMMY C35H55N7O11S5 909.2563 NA PeJP NA NA +PJ076024 GSCCCDHW C35H47N11O12S3 909.2568 NA PeJP NA NA +PJ076025 GSSSCCDDH C31H47N11O17S2 909.2593 NA PeJP NA NA +PJ076026 GCCNDMMH C32H51N11O12S4 909.2602 NA PeJP NA NA +PJ076027 GPCCDDDW C36H47N9O15S2 909.2634 NA PeJP NA NA +PJ076028 GCCCCQFF C37H51N9O10S4 909.2642 NA PeJP NA NA +PJ076029 ACDDDDQE C32H47N9O20S 909.2658 NA PeJP NA NA +PJ076030 GNDDDDEM C32H47N9O20S 909.2659 NA PeJP NA NA +PJ076031 GSSSTCCCY C33H51N9O15S3 909.2667 NA PeJP NA NA +PJ076032 GCCCCKMY C34H55N9O10S5 909.2676 NA PeJP NA NA +PJ076033 CCNNNNND C30H47N13O16S2 909.2705 NA PeJP NA NA +PJ076034 GGCCNNNND C30H47N13O16S2 909.2706 NA PeJP NA NA +PJ076035 CCDEMFY C38H51N7O13S3 909.2707 NA PeJP NA NA +PJ076036 GCCCCEHR C31H51N13O11S4 909.2714 NA PeJP NA NA +PJ076037 GCCNDDHF C35H47N11O14S2 909.2746 NA PeJP NA NA +PJ076038 CCCQMHW C36H51N11O9S4 909.2754 NA PeJP NA NA +PJ076039 GACCCMHW C36H51N11O9S4 909.2755 NA PeJP NA NA +PJ076040 GCDDDDDR C31H47N11O19S 909.2771 NA PeJP NA NA +PJ076041 SSCCNEMH C32H51N11O14S3 909.2779 NA PeJP NA NA +PJ076042 GGSSCCEMH C32H51N11O14S3 909.278 NA PeJP NA NA +PJ076043 GCCCNHHH C33H47N15O10S3 909.2793 NA PeJP NA NA +PJ076044 NDDDDMW C36H47N9O17S 909.2811 NA PeJP NA NA +PJ076045 SPPCCCDW C37H51N9O12S3 909.282 NA PeJP NA NA +PJ076046 SSNDDDEE C32H47N9O22 909.2836 NA PeJP NA NA +PJ076047 SSSSSSCCY C33H51N9O17S2 909.2844 NA PeJP NA NA +PJ076048 SPCNDDEM C33H51N9O17S2 909.2845 NA PeJP NA NA +PJ076049 STCCCCKY C34H55N9O12S4 909.2853 NA PeJP NA NA +PJ076050 GGPPCCDMM C34H55N9O12S4 909.2854 NA PeJP NA NA +PJ076051 CCCCHRW C35H51N13O8S4 909.2867 NA PeJP NA NA +PJ076052 SCDEMYY C38H51N7O15S2 909.2885 NA PeJP NA NA +PJ076053 SSCCCDHR C31H51N13O13S3 909.2892 NA PeJP NA NA +PJ076054 PCCMMYY C39H55N7O10S4 909.2894 NA PeJP NA NA +PJ076055 DEEEEEM C34H51N7O20S 909.291 NA PeJP NA NA +PJ076056 GSCNNDDW C35H47N11O16S 909.2923 NA PeJP NA NA +PJ076057 GGGGGSCDDW C35H47N11O16S 909.2924 NA PeJP NA NA +PJ076058 TCMMMMY C36H59N7O10S5 909.2927 NA PeJP NA NA +PJ076059 GSSCCMHW C36H51N11O11S3 909.2932 NA PeJP NA NA +PJ076060 GSSSNNDDD C31H47N11O21 909.2948 NA PeJP NA NA +PJ076061 GGGGGSSSDDD C31H47N11O21 909.2949 NA PeJP NA NA +PJ076062 SPCCDDDR C32H51N11O16S2 909.2957 NA PeJP NA NA +PJ076063 GCDDEWW C40H47N9O14S 909.2964 NA PeJP NA NA +PJ076064 PPCCCCER C33H55N11O11S4 909.2966 NA PeJP NA NA +PJ076065 GSSDDDEW C36H47N9O19 909.2989 NA PeJP NA NA +PJ076066 GSPCDDMW C37H51N9O14S2 909.2997 NA PeJP NA NA +PJ076067 APPCCCMW C38H55N9O9S4 909.3006 NA PeJP NA NA +PJ076068 GSNDEEEM C33H51N9O19S 909.3022 NA PeJP NA NA +PJ076069 GDDDYYY C41H47N7O17 909.3029 NA PeJP NA NA +PJ076070 GPNDDMMM C34H55N9O14S3 909.3031 NA PeJP NA NA +PJ076071 PCCDFYY C42H51N7O12S2 909.3037 NA PeJP NA NA +PJ076072 CCDEFFF C42H51N7O12S2 909.3038 NA PeJP NA NA +PJ076073 CDMMHHH C35H51N13O10S3 909.3044 NA PeJP NA NA +PJ076074 GGPPCCCHH C35H51N13O10S3 909.3045 NA PeJP NA NA +PJ076075 GCCNNDER C31H51N13O15S2 909.3069 NA PeJP NA NA +PJ076076 GGGCCNDER C31H51N13O15S2 909.307 NA PeJP NA NA +PJ076077 GDMMMYY C39H55N7O12S3 909.3071 NA PeJP NA NA +PJ076078 GTCCCMHR C32H55N13O10S4 909.3078 NA PeJP NA NA +PJ076079 GNNNDDDF C35H47N11O18 909.3101 NA PeJP NA NA +PJ076080 SSSTCCHW C36H51N11O13S2 909.311 NA PeJP NA NA +PJ076081 CDDWWW C44H47N9O11S 909.3116 NA PeJP NA NA +PJ076082 CCCKMHW C37H55N11O8S4 909.3118 NA PeJP NA NA +PJ076083 SSSSSSCEH C32H51N11O18S 909.3134 NA PeJP NA NA +PJ076084 GSDDDDMR C32H51N11O18S 909.3135 NA PeJP NA NA +PJ076085 SSDDDWW C40H47N9O16 909.3141 NA PeJP NA NA +PJ076086 GPCCDEMR C33H55N11O13S3 909.3143 NA PeJP NA NA +PJ076087 GGGGGGSPCMM C33H55N11O13S3 909.3144 NA PeJP NA NA +PJ076088 GCNNNDHH C33H47N15O14S 909.3148 NA PeJP NA NA +PJ076089 SPCCEWW C41H51N9O11S2 909.315 NA PeJP NA NA +PJ076090 SNDEEMW C37H51N9O16S 909.3175 NA PeJP NA NA +PJ076091 PCNEMMW C38H55N9O11S3 909.3183 NA PeJP NA NA +PJ076092 GGPCEMMW C38H55N9O11S3 909.3184 NA PeJP NA NA +PJ076093 CDDHHHF C38H47N13O12S 909.3188 NA PeJP NA NA +PJ076094 SSSNEEEE C33H51N9O21 909.32 NA PeJP NA NA +PJ076095 NQEEEMM C34H55N9O16S2 909.3208 NA PeJP NA NA +PJ076096 GGQEEEMM C34H55N9O16S2 909.3209 NA PeJP NA NA +PJ076097 GSNDDEHH C34H47N13O17 909.3213 NA PeJP NA NA +PJ076098 SPCDYYY C42H51N7O14S 909.3215 NA PeJP NA NA +PJ076099 TEMMMMH C35H59N9O11S4 909.3217 NA PeJP NA NA +PJ076100 CCNNDRW C35H51N13O12S2 909.3222 NA PeJP NA NA +PJ076101 PCCMFFY C43H55N7O9S3 909.3224 NA PeJP NA NA +PJ076102 CCHHHHH C36H47N17O8S2 909.3235 NA PeJP NA NA +PJ076103 PDEEEEY C38H51N7O19 909.324 NA PeJP NA NA +PJ076104 SSCNNDDR C31H51N13O17S 909.3247 NA PeJP NA NA +PJ076105 SSEMMYY C39H55N7O14S2 909.3249 NA PeJP NA NA +PJ076106 SSSCCMHR C32H55N13O12S3 909.3256 NA PeJP NA NA +PJ076107 GMMMMFY C40H59N7O9S4 909.3257 NA PeJP NA NA +PJ076108 GCNNMWW C40H51N11O10S2 909.3262 NA PeJP NA NA +PJ076109 SCDDERW C36H51N11O15S 909.3287 NA PeJP NA NA +PJ076110 PCCDMRW C37H55N11O10S3 909.3296 NA PeJP NA NA +PJ076111 SSSDDDER C32H51N11O20 909.3312 NA PeJP NA NA +PJ076112 NDDEMMR C33H55N11O15S2 909.3321 NA PeJP NA NA +PJ076113 GSDEMWW C41H51N9O13S 909.3327 NA PeJP NA NA +PJ076114 GGPCDEFW C41H51N9O13S 909.3328 NA PeJP NA NA +PJ076115 PPTCCCMR C34H59N11O10S4 909.333 NA PeJP NA NA +PJ076116 GPCMMWW C42H55N9O8S3 909.3336 NA PeJP NA NA +PJ076117 GSSSEEEW C37H51N9O18 909.3352 NA PeJP NA NA +PJ076118 GGGSPDEEY C37H51N9O18 909.3353 NA PeJP NA NA +PJ076119 GQEEMMW C38H55N9O13S2 909.3361 NA PeJP NA NA +PJ076120 SNDDHHW C38H47N13O14 909.3366 NA PeJP NA NA +PJ076121 CEFYYW C46H51N7O11S 909.3368 NA PeJP NA NA +PJ076122 PCCQHHW C39H51N13O9S2 909.3375 NA PeJP NA NA +PJ076123 GSTQEEEM C34H55N9O18S 909.3386 NA PeJP NA NA +PJ076124 ASDEYYY C42H51N7O16 909.3392 NA PeJP NA NA +PJ076125 GSEEYYY C42H51N7O16 909.3393 NA PeJP NA NA +PJ076126 GSPQEMMM C35H59N9O13S3 909.3395 NA PeJP NA NA +PJ076127 GCNNNNQF C35H51N13O14S 909.3399 NA PeJP NA NA +PJ076128 GGGCNNNQF C35H51N13O14S 909.34 NA PeJP NA NA +PJ076129 APCMYYY C43H55N7O11S2 909.3401 NA PeJP NA NA +PJ076130 VMMMMMH C36H63N9O8S5 909.3404 NA PeJP NA NA +PJ076131 CCNMHFR C36H55N13O9S3 909.3408 NA PeJP NA NA +PJ076132 SSSSSNNNN C31H51N13O19 909.3424 NA PeJP NA NA +PJ076133 GGGGSSSSSNN C31H51N13O19 909.3425 NA PeJP NA NA +PJ076134 PEEEEMF C39H55N7O16S 909.3426 NA PeJP NA NA +PJ076135 CDDDMRR C32H55N13O14S2 909.3433 NA PeJP NA NA +PJ076136 GGGGGGGGTCCK C32H55N13O14S2 909.3434 NA PeJP NA NA +PJ076137 ATMMMYY C40H59N7O11S3 909.3435 NA PeJP NA NA +PJ076138 SSCNQWW C40H51N11O12S 909.344 NA PeJP NA NA +PJ076139 LEEEEMM C36H59N7O16S2 909.346 NA PeJP NA NA +PJ076140 SSSSNNEW C36H51N11O17 909.3465 NA PeJP NA NA +PJ076141 GCEEMRW C37H55N11O12S2 909.3473 NA PeJP NA NA +PJ076142 GDDMMRW C37H55N11O12S2 909.3474 NA PeJP NA NA +PJ076143 SDMWWW C45H51N9O10S 909.348 NA PeJP NA NA +PJ076144 SSVCDDER C33H55N11O17S 909.3498 NA PeJP NA NA +PJ076145 GSSDEEMR C33H55N11O17S 909.3499 NA PeJP NA NA +PJ076146 SSSEEWW C41H51N9O15 909.3505 NA PeJP NA NA +PJ076147 GSPCEMMR C34H59N11O12S3 909.3507 NA PeJP NA NA +PJ076148 CNDEHHR C34H51N15O13S 909.3512 NA PeJP NA NA +PJ076149 QEMMWW C42H55N9O10S2 909.3514 NA PeJP NA NA +PJ076150 STQEEMW C38H55N9O15S 909.3539 NA PeJP NA NA +PJ076151 SEYYYW C46H51N7O13 909.3545 NA PeJP NA NA +PJ076152 GSCCNDRR C31H55N15O13S2 909.3546 NA PeJP NA NA +PJ076153 SPQMMMW C39H59N9O10S3 909.3547 NA PeJP NA NA +PJ076154 GGAPPCMMF C39H59N9O10S3 909.3548 NA PeJP NA NA +PJ076155 GNEMHHW C39H51N13O11S 909.3552 NA PeJP NA NA +PJ076156 PCCFFFF C47H55N7O8S2 909.3554 NA PeJP NA NA +PJ076157 SSSDKEEE C34H55N9O20 909.3564 NA PeJP NA NA +PJ076158 NKEEEMM C35H59N9O15S2 909.3572 NA PeJP NA NA +PJ076159 GGKEEEMM C35H59N9O15S2 909.3573 NA PeJP NA NA +PJ076160 NNNDDRY C35H51N13O16 909.3577 NA PeJP NA NA +PJ076161 AAEMYYY C43H55N7O13S 909.3579 NA PeJP NA NA +PJ076162 AAPQMMMM C36H63N9O10S4 909.3581 NA PeJP NA NA +PJ076163 SCNNMRW C36H55N13O11S2 909.3586 NA PeJP NA NA +PJ076164 GMMMFFF C44H59N7O8S3 909.3588 NA PeJP NA NA +PJ076165 NNDHHHH C36H47N17O12 909.3591 NA PeJP NA NA +PJ076166 GCNHFFW C44H51N11O9S 909.3592 NA PeJP NA NA +PJ076167 VEEEEEF C39H55N7O18 909.3604 NA PeJP NA NA +PJ076168 SSSNNDMR C32H55N13O16S 909.3611 NA PeJP NA NA +PJ076169 TTTMMYY C40H59N7O13S2 909.3612 NA PeJP NA NA +PJ076170 GSSSSNWW C40H51N11O14 909.3617 NA PeJP NA NA +PJ076171 GGGGGGAEYW C40H51N11O14 909.3618 NA PeJP NA NA +PJ076172 NNNMMMR C33H59N13O11S3 909.3619 NA PeJP NA NA +PJ076173 GGNNMMMR C33H59N13O11S3 909.362 NA PeJP NA NA +PJ076174 CEMRWW C41H55N11O9S2 909.3626 NA PeJP NA NA +PJ076175 SSDEMRW C37H55N11O14S 909.3651 NA PeJP NA NA +PJ076176 GSPDYWW C45H51N9O12 909.3658 NA PeJP NA NA +PJ076177 SPCMMRW C38H59N11O9S3 909.366 NA PeJP NA NA +PJ076178 GCDHHRW C38H51N15O10S 909.3665 NA PeJP NA NA +PJ076179 AMMWWW C46H55N9O7S2 909.3666 NA PeJP NA NA +PJ076180 SSSSEEER C33H55N11O19 909.3676 NA PeJP NA NA +PJ076181 SQEEMMR C34H59N11O14S2 909.3685 NA PeJP NA NA +PJ076182 SSSNNQHH C34H51N15O15 909.3689 NA PeJP NA NA +PJ076183 GSSDDHHR C34H51N15O15 909.369 NA PeJP NA NA +PJ076184 GTTEMWW C42H55N9O12S 909.3691 NA PeJP NA NA +PJ076185 PNMMMMR C35H63N11O9S4 909.3693 NA PeJP NA NA +PJ076186 GGPMMMMR C35H63N11O9S4 909.3694 NA PeJP NA NA +PJ076187 GPTCCHHR C35H55N15O10S2 909.3698 NA PeJP NA NA +PJ076188 NMHHWW C43H51N13O8S 909.3705 NA PeJP NA NA +PJ076189 GSTTTEEW C38H55N9O17 909.3716 NA PeJP NA NA +PJ076190 GKEEMMW C39H59N9O12S2 909.3725 NA PeJP NA NA +PJ076191 SSQEHHW C39H51N13O13 909.373 NA PeJP NA NA +PJ076192 CLYYYW C47H55N7O10S 909.3731 NA PeJP NA NA +PJ076193 CCNQMRR C32H59N15O10S3 909.3732 NA PeJP NA NA +PJ076194 PCCKHHW C40H55N13O8S2 909.3738 NA PeJP NA NA +PJ076195 GSTKEEEM C35H59N9O17S 909.375 NA PeJP NA NA +PJ076196 ATTEYYY C43H55N7O15 909.3756 NA PeJP NA NA +PJ076197 PPEEEFY C43H55N7O15 909.3757 NA PeJP NA NA +PJ076198 GSPKEMMM C36H63N9O12S3 909.3759 NA PeJP NA NA +PJ076199 GSSSCQRW C36H55N13O13S 909.3763 NA PeJP NA NA +PJ076200 GGGGGSPCRY C36H55N13O13S 909.3764 NA PeJP NA NA +PJ076201 GVMMFYY C44H59N7O10S2 909.3765 NA PeJP NA NA +PJ076202 NNQYWW C44H51N11O11 909.377 NA PeJP NA NA +MJ097460 Altromycin A; 13-Deoxy, N3'-Me C47H59NO17 909.378299 NA MeJP NA NA +MJ097461 Altromycin A; 2'''-Deoxy, N3'-Me C47H59NO17 909.378299 NA MeJP NA NA +MJ097462 Taxol?; N-Debenzoyl, N-butanoyl, 10-de-Ac, 7-O-?-D-xylopyranoside C47H59NO17 909.378299 NA MeJP NA NA +PJ076203 GSSSSSNER C32H55N13O18 909.3788 NA PeJP NA NA +PJ076204 PLEEEMY C40H59N7O15S 909.379 NA PeJP NA NA +PJ076205 SDDMMRR C33H59N13O13S2 909.3797 NA PeJP NA NA +PJ076206 SSCNKWW C41H55N11O11S 909.3804 NA PeJP NA NA +PJ076207 GEFWWW C49H51N9O9 909.381 NA PeJP NA NA +PJ076208 SSSSTQQW C37H55N11O16 909.3828 NA PeJP NA NA +PJ076209 SSSSNDKW C37H55N11O16 909.3829 NA PeJP NA NA +PJ076210 GTEMMRW C38H59N11O11S2 909.3837 NA PeJP NA NA +PJ076211 GGGGGPCKMF C38H59N11O11S2 909.3838 NA PeJP NA NA +PJ076212 NNNQHHF C38H51N15O12 909.3842 NA PeJP NA NA +PJ076213 TTMWWW C46H55N9O9S 909.3844 NA PeJP NA NA +PJ076214 GSTTEEMR C34H59N11O16S 909.3862 NA PeJP NA NA +PJ076215 STTTEWW C42H55N9O14 909.3869 NA PeJP NA NA +PJ076216 VNEMMMR C35H63N11O11S3 909.3871 NA PeJP NA NA +PJ076217 SNEMHHR C35H55N15O12S 909.3876 NA PeJP NA NA +PJ076218 ATCLMWW C43H59N9O9S2 909.3877 NA PeJP NA NA +PJ076219 KEMMWW C43H59N9O9S2 909.3878 NA PeJP NA NA +PJ076220 GSTHHWW C43H51N13O10 909.3882 NA PeJP NA NA +PJ076221 SSPTTTMW C39H59N9O14S 909.3902 NA PeJP NA NA +PJ076222 STKEEMW C39H59N9O14S 909.3903 NA PeJP NA NA +PJ076223 AAPYYYY C47H55N7O12 909.3909 NA PeJP NA NA +PJ076224 GGGSSCMRR C32H59N15O12S2 909.391 NA PeJP NA NA +PJ076225 SPKMMMW C40H63N9O9S3 909.3911 NA PeJP NA NA +PJ076226 GCNQFRW C40H55N13O10S 909.3916 NA PeJP NA NA +PJ076227 STTTDKEE C35H59N9O19 909.3927 NA PeJP NA NA +PJ076228 SSTTKEEE C35H59N9O19 909.3928 NA PeJP NA NA +PJ076229 DKKEEMM C36H63N9O14S2 909.3936 NA PeJP NA NA +PJ076230 SSSSSNRW C36H55N13O15 909.3941 NA PeJP NA NA +PJ076231 GTLMYYY C44H59N7O12S 909.3943 NA PeJP NA NA +PJ076232 AAPKMMMM C37H67N9O9S4 909.3945 NA PeJP NA NA +PJ076233 SCCQKRW C37H59N13O10S2 909.395 NA PeJP NA NA +PJ076234 SQQHHHH C37H51N17O11 909.3954 NA PeJP NA NA +PJ076235 GGGATHHHH C37H51N17O11 909.3955 NA PeJP NA NA +PJ076236 PCRYWW C45H55N11O8S 909.3956 NA PeJP NA NA +PJ076237 FWWWW C53H51N9O6 909.3963 NA PeJP NA NA +PJ076238 VLEEEEY C40H59N7O17 909.3968 NA PeJP NA NA +PJ076239 SSSSQQMR C33H59N13O15S 909.3975 NA PeJP NA NA +PJ076240 QEERYW C41H55N11O13 909.3981 NA PeJP NA NA +PJ076241 GEMMMRR C34H63N13O10S3 909.3983 NA PeJP NA NA +PJ076242 GGGACKMMR C34H63N13O10S3 909.3984 NA PeJP NA NA +PJ076243 SCDHHRR C34H55N17O11S 909.3988 NA PeJP NA NA +PJ076244 TMMRWW C42H59N11O8S2 909.399 NA PeJP NA NA +PJ076245 STTEMRW C38H59N11O13S 909.4015 NA PeJP NA NA +PJ076246 VQEYWW C46H55N9O11 909.4021 NA PeJP NA NA +PJ076247 GGAPEFFW C46H55N9O11 909.4022 NA PeJP NA NA +PJ076248 GVMMMRW C39H63N11O8S3 909.4024 NA PeJP NA NA +PJ076249 GSMHHRW C39H55N15O9S 909.4028 NA PeJP NA NA +PJ076250 HHHFFW C47H51N13O7 909.4035 NA PeJP NA NA +PJ076251 SSTTTEER C34H59N11O18 909.404 NA PeJP NA NA +PJ076252 SSPTTMMR C35H63N11O13S2 909.4048 NA PeJP NA NA +PJ076253 SKEEMMR C35H63N11O13S2 909.4049 NA PeJP NA NA +PJ076254 PDDDHRR C35H55N15O14 909.4053 NA PeJP NA NA +PJ076255 GGGGGSPEHR C35H55N15O14 909.4054 NA PeJP NA NA +PJ076256 SSTLMWW C43H59N9O11S 909.4055 NA PeJP NA NA +PJ076257 TFFFYW C51H55N7O9 909.4062 NA PeJP NA NA +PJ076258 SSSTTLEW C39H59N9O16 909.408 NA PeJP NA NA +PJ076259 SSSSCQRR C32H59N15O14S 909.4087 NA PeJP NA NA +PJ076260 SVKEMMW C40H63N9O11S2 909.4089 NA PeJP NA NA +PJ076261 DDRRYW C40H55N13O12 909.4093 NA PeJP NA NA +PJ076262 GGGSQRYW C40H55N13O12 909.4094 NA PeJP NA NA +PJ076263 GVMFFFY C48H59N7O9S 909.4095 NA PeJP NA NA +PJ076264 CCNKMRR C33H63N15O9S3 909.4096 NA PeJP NA NA +PJ076265 SSSLKEEM C36H63N9O16S 909.4114 NA PeJP NA NA +PJ076266 STTLYYY C44H59N7O14 909.412 NA PeJP NA NA +PJ076267 LQKEMMM C37H67N9O11S3 909.4122 NA PeJP NA NA +PJ076268 GALKEMMM C37H67N9O11S3 909.4123 NA PeJP NA NA +PJ076269 GSSSCKRW C37H59N13O12S 909.4127 NA PeJP NA NA +PJ076270 GGGGGGAPLMH C37H59N13O12S 909.4128 NA PeJP NA NA +PJ076271 AERYWW C45H55N11O10 909.4134 NA PeJP NA NA +PJ076272 MMMRRW C38H63N13O7S3 909.4136 NA PeJP NA NA +PJ076273 GSSSSSDKR C33H59N13O17 909.4152 NA PeJP NA NA +PJ076274 LLEEEMF C41H63N7O14S 909.4154 NA PeJP NA NA +PJ076275 STEMMRR C34H63N13O12S2 909.4161 NA PeJP NA NA +PJ076276 NNNQQHR C34H55N17O13 909.4166 NA PeJP NA NA +PJ076277 GPTMRYW C42H59N11O10S 909.4167 NA PeJP NA NA +PJ076278 GVDMFRW C42H59N11O10S 909.4168 NA PeJP NA NA +PJ076279 GLYWWW C50H55N9O8 909.4174 NA PeJP NA NA +PJ076280 SSSSTQKW C38H59N11O15 909.4192 NA PeJP NA NA +PJ076281 GKEEERY C38H59N11O15 909.4193 NA PeJP NA NA +PJ076282 SSLMMRW C39H63N11O10S2 909.4201 NA PeJP NA NA +PJ076283 SSTHHRW C39H55N15O11 909.4206 NA PeJP NA NA +PJ076284 PKMYWW C47H59N9O8S 909.4208 NA PeJP NA NA +PJ076285 SSSTLEMR C35H63N11O15S 909.4226 NA PeJP NA NA +PJ076286 GVKEEYW C43H59N9O13 909.4233 NA PeJP NA NA +PJ076287 VDKMMMR C36H67N11O10S3 909.4235 NA PeJP NA NA +PJ076288 ACNQRRY C36H59N15O11S 909.4239 NA PeJP NA NA +PJ076289 GNNMRRY C36H59N15O11S 909.424 NA PeJP NA NA +PJ076290 APKMMFW C44H63N9O8S2 909.4241 NA PeJP NA NA +PJ076291 PEHRWW C44H55N13O9 909.4246 NA PeJP NA NA +PJ076292 GSSSSSSRR C32H59N15O16 909.4265 NA PeJP NA NA +PJ076293 SSSSLLMW C40H63N9O13S 909.4266 NA PeJP NA NA +PJ076294 GGGALLEMY C40H63N9O13S 909.4267 NA PeJP NA NA +PJ076295 AALFYYY C48H59N7O11 909.4273 NA PeJP NA NA +PJ076296 ALKMMMW C41H67N9O8S3 909.4275 NA PeJP NA NA +PJ076297 DMFRRW C41H59N13O9S 909.428 NA PeJP NA NA +PJ076298 PVHWWW C49H55N11O7 909.4286 NA PeJP NA NA +PJ076299 TTTTTKEE C36H63N9O18 909.4291 NA PeJP NA NA +PJ076300 GTTLKEMM C37H67N9O13S2 909.43 NA PeJP NA NA +PJ076301 GTEERRY C37H59N13O14 909.4305 NA PeJP NA NA +PJ076302 SCCKKRW C38H63N13O9S2 909.4313 NA PeJP NA NA +PJ076303 GPMMRRY C38H63N13O9S2 909.4314 NA PeJP NA NA +PJ076304 SQKHHHH C38H55N17O10 909.4318 NA PeJP NA NA +PJ076305 CLFRWW C46H59N11O7S 909.432 NA PeJP NA NA +PJ076306 SSSSQKMR C34H63N13O14S 909.4338 NA PeJP NA NA +PJ076307 GGSSSTKMR C34H63N13O14S 909.4339 NA PeJP NA NA +PJ076308 KEERYW C42H59N11O12 909.4345 NA PeJP NA NA +PJ076309 SVMMMRR C35H67N13O9S3 909.4347 NA PeJP NA NA +PJ076310 SSMHHRR C35H59N17O10S 909.4352 NA PeJP NA NA +PJ076311 QHHFRW C43H55N15O8 909.4358 NA PeJP NA NA +PJ076312 GAHHFRW C43H55N15O8 909.4359 NA PeJP NA NA +PJ076313 GSSSKKMW C39H63N11O12S 909.4379 NA PeJP NA NA +PJ076314 VKEYWW C47H59N9O10 909.4385 NA PeJP NA NA +PJ076315 VLMHHHH C40H59N15O8S 909.4392 NA PeJP NA NA +PJ076316 TTTTTTER C35H63N11O17 909.4404 NA PeJP NA NA +PJ076317 GTTTLMMR C36H67N11O12S2 909.4412 NA PeJP NA NA +PJ076318 GGGTTKKMM C36H67N11O12S2 909.4413 NA PeJP NA NA +PJ076319 SSNQRRY C36H59N15O13 909.4417 NA PeJP NA NA +PJ076320 GGGGGGGAAPPR C36H59N15O13 909.4418 NA PeJP NA NA +PJ076321 SPVKMYW C44H63N9O10S 909.4419 NA PeJP NA NA +PJ076322 AKMMHHR C37H63N15O8S2 909.4426 NA PeJP NA NA +PJ076323 STTTTTLW C40H63N9O15 909.4444 NA PeJP NA NA +PJ076324 SSSSCKRR C33H63N15O13S 909.4451 NA PeJP NA NA +PJ076325 TTLKMMW C41H67N9O10S2 909.4453 NA PeJP NA NA +PJ076326 TERRYW C41H59N13O11 909.4457 NA PeJP NA NA +PJ076327 GGGSPPPRW C41H59N13O11 909.4458 NA PeJP NA NA +PJ076328 STTTLKEM C37H67N9O15S 909.4478 NA PeJP NA NA +MJ097463 Micropeptin SF909 C45H63N7O13 909.448385 NA MeJP NA NA +PJ076329 PLLEEFY C45H63N7O13 909.4484 NA PeJP NA NA +PJ076330 LKKEMMM C38H71N9O10S3 909.4486 NA PeJP NA NA +PJ076331 GVEMRRY C38H63N13O11S 909.4491 NA PeJP NA NA +PJ076332 SLRYWW C46H59N11O9 909.4498 NA PeJP NA NA +MJ097464 Ganefromycin ?1; 23-O-Phenylacetyl, 32-O-(2,6-dideoxy-?-L-galactopyranoside) C49H67NO15 909.45107 NA MeJP NA NA +MJ097465 Ganefromycin ?1; 24-O-(Phenylacetyl), 32-O-(2,6-dideoxy-?-L-galactopyranoside) C49H67NO15 909.45107 NA MeJP NA NA +PJ076333 GSSSSTTKR C34H63N13O16 909.4516 NA PeJP NA NA +PJ076334 LLLEEMY C42H67N7O13S 909.4518 NA PeJP NA NA +PJ076335 GSTCKKMR C35H67N13O11S2 909.4525 NA PeJP NA NA +PJ076336 GQQEHRR C35H59N17O12 909.4529 NA PeJP NA NA +PJ076337 ANQEHRR C35H59N17O12 909.453 NA PeJP NA NA +PJ076338 AALMRYW C43H63N11O9S 909.4531 NA PeJP NA NA +PJ076339 PKFFWW C51H59N9O7 909.4538 NA PeJP NA NA +PJ076340 SSSSTKKW C39H63N11O14 909.4556 NA PeJP NA NA +PJ076341 GGGVLLEEH C39H63N11O14 909.4557 NA PeJP NA NA +PJ076342 SCKKKMW C40H67N11O9S2 909.4565 NA PeJP NA NA +PJ076343 GVQQHRW C40H59N15O10 909.457 NA PeJP NA NA +PJ076344 LKMFWW C48H63N9O7S 909.4572 NA PeJP NA NA +PJ076345 STTTTLMR C36H67N11O14S 909.459 NA PeJP NA NA +PJ076346 ATLKEYW C44H63N9O12 909.4596 NA PeJP NA NA +PJ076347 VVTDKYW C44H63N9O12 909.4597 NA PeJP NA NA +PJ076348 TLKMMMR C37H71N11O9S3 909.4599 NA PeJP NA NA +PJ076349 EMRRRY C37H63N15O10S 909.4603 NA PeJP NA NA +PJ076350 GGACKRRY C37H63N15O10S 909.4604 NA PeJP NA NA +PJ076351 APPHFRW C45H59N13O8 909.461 NA PeJP NA NA +PJ076352 VLQKEMY C41H67N9O12S 909.463 NA PeJP NA NA +PJ076353 GNDHRRR C34H59N19O11 909.4642 NA PeJP NA NA +PJ076354 VMRRYW C42H63N13O8S 909.4644 NA PeJP NA NA +PJ076355 SSSTTTTLL C37H67N9O17 909.4655 NA PeJP NA NA +PJ076356 SSTLLKMM C38H71N9O12S2 909.4664 NA PeJP NA NA +PJ076357 SSLERRY C38H63N13O13 909.4669 NA PeJP NA NA +PJ076358 GLMMFRR C39H67N13O8S2 909.4677 NA PeJP NA NA +PJ076359 QQHRRW C39H59N17O9 909.4682 NA PeJP NA NA +PJ076360 SSSSKKMR C35H67N13O13S 909.4702 NA PeJP NA NA +MJ097466 Serylglutamylprolyltyrosylleucylarginylphenylalaninamide C43H63N11O11 909.470851 NA MeJP NA NA +PJ076361 ATTLRYW C43H63N11O11 909.4709 NA PeJP NA NA +PJ076362 PCNKHRR C36H63N17O9S 909.4716 NA PeJP NA NA +PJ076363 KHHFRW C44H59N15O7 909.4722 NA PeJP NA NA +PJ076364 SLLQMRY C40H67N11O11S 909.4742 NA PeJP NA NA +PJ076365 ALKEMRY C40H67N11O11S 909.4743 NA PeJP NA NA +PJ076366 GPLKFYW C48H63N9O9 909.4749 NA PeJP NA NA +PJ076367 SSSSSSLKK C36H67N11O16 909.4767 NA PeJP NA NA +PJ076368 GSSTTTTKK C36H67N11O16 909.4768 NA PeJP NA NA +PJ076369 GSTKKKMM C37H71N11O11S2 909.4776 NA PeJP NA NA +PJ076370 SSNKRRY C37H63N15O12 909.4781 NA PeJP NA NA +PJ076371 GLLKMYW C45H67N9O9S 909.4783 NA PeJP NA NA +PJ076372 APHHHRR C38H59N19O8 909.4795 NA PeJP NA NA +PJ076373 TLKKEEY C41H67N9O14 909.4808 NA PeJP NA NA +PJ076374 PLKKMMY C42H71N9O9S2 909.4817 NA PeJP NA NA +PJ076375 GLLEHRW C42H63N13O10 909.4821 NA PeJP NA NA +MJ097467 Cyanoginosin; Cyanoginosin LA C46H67N7O12 909.48477 NA MeJP NA NA +PJ076376 PLLLEYY C46H67N7O12 909.4848 NA PeJP NA NA +PJ076377 ATLMRRY C39H67N13O10S 909.4855 NA PeJP NA NA +PJ076378 AVVLHWW C47H63N11O8 909.4861 NA PeJP NA NA +PJ076379 GVLLHWW C47H63N11O8 909.4862 NA PeJP NA NA +PJ076380 PPNDRRR C36H63N17O11 909.4893 NA PeJP NA NA +PJ076381 GGPPDRRR C36H63N17O11 909.4894 NA PeJP NA NA +PJ076382 ACKKKFW C44H67N11O8S 909.4895 NA PeJP NA NA +PJ076383 TTLKERY C40H67N11O13 909.492 NA PeJP NA NA +PJ076384 VVKMMFR C41H71N11O8S2 909.4929 NA PeJP NA NA +PJ076385 APPQRRW C41H63N15O9 909.4934 NA PeJP NA NA +PJ076386 SSTTKKKM C37H71N11O13S 909.4954 NA PeJP NA NA +PJ076387 STLLKYW C45H67N9O11 909.496 NA PeJP NA NA +PJ076388 GPPVLLEW C45H67N9O11 909.4961 NA PeJP NA NA +PJ076389 GCKKRRY C38H67N15O9S 909.4967 NA PeJP NA NA +PJ076390 LLHRWW C46H63N13O7 909.4974 NA PeJP NA NA +PJ076391 VLKKEMY C42H71N9O11S 909.4994 NA PeJP NA NA +PJ076392 GTQHRRR C35H63N19O10 909.5006 NA PeJP NA NA +PJ076393 TTTLRRY C39H67N13O12 909.5032 NA PeJP NA NA +PJ076394 GGTTKKRY C39H67N13O12 909.5033 NA PeJP NA NA +PJ076395 QKHRRW C40H63N17O8 909.5046 NA PeJP NA NA +PJ076396 GTKKKYW C44H67N11O10 909.5073 NA PeJP NA NA +MJ097468 Leptinidine; 23-O-Ac, glycoside (Unknown struct. 1) C47H75NO16 909.508585 NA MeJP NA NA +3820 smooth muscles contracting peptide WWGKKYRASKLGLAR 909.5105 MH2+ Inhouse_peptide NA peptide +PJ076397 SLLKMRY C41H71N11O10S 909.5106 NA PeJP NA NA +PJ076398 GGVKKKMY C41H71N11O10S 909.5107 NA PeJP NA NA +PJ076399 PPVLLWW C49H67N9O8 909.5113 NA PeJP NA NA +PJ076400 SLLEHRR C38H67N15O11 909.5145 NA PeJP NA NA +PJ076401 PLKKMFF C46H71N9O8S 909.5147 NA PeJP NA NA +PJ076402 SSSLLLKY C42H71N9O13 909.5172 NA PeJP NA NA +PJ076403 LLKKMMF C43H75N9O8S2 909.518 NA PeJP NA NA +PJ076404 SVLLHRW C43H67N13O9 909.5185 NA PeJP NA NA +PJ076405 LLLLEFY C47H71N7O11 909.5212 NA PeJP NA NA +PJ076406 GKKKMRY C40H71N13O9S 909.5219 NA PeJP NA NA +PJ076407 PPTQRRR C37H67N17O10 909.5257 NA PeJP NA NA +PJ076408 SKKKKEY C41H71N11O12 909.5284 NA PeJP NA NA +PJ076409 APPKRRW C42H67N15O8 909.5297 NA PeJP NA NA +PJ076410 GVKKHRW C42H67N15O8 909.5298 NA PeJP NA NA +PJ076411 APPTLLLW C46H71N9O10 909.5324 NA PeJP NA NA +PJ076412 VVLMHRR C39H71N15O8S 909.5331 NA PeJP NA NA +PJ076413 PPVLLLQM C43H75N9O10S 909.5358 NA PeJP NA NA +PJ076414 GTKHRRR C36H67N19O9 909.537 NA PeJP NA NA +PJ076415 STKKKRY C40H71N13O11 909.5396 NA PeJP NA NA +PJ076416 GPPVKKER C40H71N13O11 909.5397 NA PeJP NA NA +PJ076417 KKHRRW C41H67N17O7 909.541 NA PeJP NA NA +PJ076418 TLLLKHW C45H71N11O9 909.5437 NA PeJP NA NA +PJ076419 CLKKKKY C42H75N11O9S 909.547 NA PeJP NA NA +PJ076420 PPKKERR C39H71N15O10 909.5509 NA PeJP NA NA +PJ076421 PPTLLLKE C43H75N9O12 909.5536 NA PeJP NA NA +PJ076422 PPVKKRW C44H71N13O8 909.5549 NA PeJP NA NA +PJ076423 LLLLLYY C48H75N7O10 909.5576 NA PeJP NA NA +PJ076424 LLLKMHR C41H75N13O8S 909.5583 NA PeJP NA NA +PJ076425 PPTKRRR C38H71N17O9 909.5621 NA PeJP NA NA +PJ076426 GPLLLLER C42H75N11O11 909.5648 NA PeJP NA NA +PJ076427 GPVLLLLW C47H75N9O9 909.5688 NA PeJP NA NA +PJ076428 PPVLLLKM C44H79N9O9S 909.5722 NA PeJP NA NA +PJ076429 GPLRRRR C37H71N19O8 909.5734 NA PeJP NA NA +PJ076430 APPTLKKR C41H75N13O10 909.576 NA PeJP NA NA +PJ076431 PLLLLRW C46H75N11O8 909.5801 NA PeJP NA NA +PJ076432 PLLQKRR C40H75N15O9 909.5873 NA PeJP NA NA +PJ076433 PTLLLLLQ C44H79N9O11 909.5899 NA PeJP NA NA +PJ076434 PVVLLLKE C44H79N9O11 909.59 NA PeJP NA NA +PJ076435 PVVKRRR C39H75N17O8 909.5985 NA PeJP NA NA +PJ076436 SPVLLLLR C43H79N11O10 909.6012 NA PeJP NA NA +PJ076437 GPVLLKKR C42H79N13O9 909.6124 NA PeJP NA NA +PJ076438 PLLKKRR C41H79N15O8 909.6236 NA PeJP NA NA +PJ076439 PTLLLLLK C45H83N9O10 909.6263 NA PeJP NA NA +PJ076440 GLLLLLLR C44H83N11O9 909.6376 NA PeJP NA NA +PJ076441 VVLLLLLK C46H87N9O9 909.6627 NA PeJP NA NA +MJ097469 Brevifolincarboxylic acid; 1,3,6-Tri-O-galloyl-?-D-glucopyranosyl ester C40H30O25 910.107616 NA MeJP NA NA +PJ076442 GCCCCCCCN C27H46N10O11S7 910.1393 NA PeJP NA NA +PJ076443 CCCCCDMM C29H50N8O11S7 910.1644 NA PeJP NA NA +PJ076444 CCCCCDDF C32H46N8O13S5 910.1788 NA PeJP NA NA +PJ076445 CCCCCCHH C30H46N12O9S6 910.1835 NA PeJP NA NA +PJ076446 SCCCCDDY C32H46N8O15S4 910.1966 NA PeJP NA NA +PJ076447 SCCCCMMM C30H54N8O10S7 910.2008 NA PeJP NA NA +PJ076448 GCCCCEMY C33H50N8O12S5 910.2152 NA PeJP NA NA +MJ097470 Carthamin C43H42O22 910.216773 NA MeJP NA NA +C16941 Carthamin C43H42O22 910.2168 NA KEGG NA NA +PJ076449 CCCCNNDH C30H46N12O13S4 910.2191 NA PeJP NA NA +PJ076450 SCCCDDEH C31H46N10O16S3 910.2256 NA PeJP NA NA +PJ076451 PCCCCDMH C32H50N10O11S5 910.2265 NA PeJP NA NA +PJ076452 CCCCMYW C37H50N8O9S5 910.2305 NA PeJP NA NA +PJ076453 SDDDDDDD C31H42N8O24 910.2312 NA PeJP NA NA +PJ076454 PCCDDDDE C32H46N8O19S2 910.2321 NA PeJP NA NA +PJ076455 SSCCCDMY C33H50N8O14S4 910.233 NA PeJP NA NA +PJ076456 ACCCCMMF C34H54N8O9S6 910.2338 NA PeJP NA NA +PJ076457 GCCDDMMH C32H50N10O13S4 910.2442 NA PeJP NA NA +PJ076458 GPCCCCYY C37H50N8O11S4 910.2482 NA PeJP NA NA +PJ076459 GDDDDDEM C32H46N8O21S 910.2499 NA PeJP NA NA +PJ076460 GTCCCMMY C34H54N8O11S5 910.2516 NA PeJP NA NA +PJ076461 CCNNNNDD C30H46N12O17S2 910.2546 NA PeJP NA NA +PJ076462 SCCCNNMH C31H50N12O12S4 910.2554 NA PeJP NA NA +PJ076463 GGGGSCCCMH C31H50N12O12S4 910.2555 NA PeJP NA NA +PJ076464 GCCDDDHF C35H46N10O15S2 910.2586 NA PeJP NA NA +PJ076465 CCCEMHW C36H50N10O10S4 910.2595 NA PeJP NA NA +PJ076466 SCNNDDDE C31H46N10O20S 910.2611 NA PeJP NA NA +PJ076467 SSCCDEMH C32H50N10O15S3 910.262 NA PeJP NA NA +PJ076468 SPCCCMMH C33H54N10O10S5 910.2628 NA PeJP NA NA +PJ076469 GCCCDHHH C33H46N14O11S3 910.2633 NA PeJP NA NA +PJ076470 CCCCFFW C41H50N8O8S4 910.2635 NA PeJP NA NA +PJ076471 DDDDDMW C36H46N8O18S 910.2651 NA PeJP NA NA +PJ076472 CCNDMYY C37H50N8O13S3 910.266 NA PeJP NA NA +PJ076473 SSDDDDEE C32H46N8O23 910.2676 NA PeJP NA NA +PJ076474 SPCDDDEM C33H50N8O18S2 910.2685 NA PeJP NA NA +PJ076475 SSSCCMMY C34H54N8O13S4 910.2693 NA PeJP NA NA +PJ076476 PPCCDDMM C34H54N8O13S4 910.2694 NA PeJP NA NA +PJ076477 GSSSCCCQH C31H50N12O14S3 910.2732 NA PeJP NA NA +PJ076478 GSCNDDDW C35H46N10O17S 910.2764 NA PeJP NA NA +PJ076479 GPCCCNEW C36H50N10O12S3 910.2772 NA PeJP NA NA +PJ076480 GSSSNDDDD C31H46N10O22 910.2789 NA PeJP NA NA +PJ076481 GNNDDDMM C32H50N10O17S2 910.2797 NA PeJP NA NA +PJ076482 GSCDMMMH C33H54N10O12S4 910.2806 NA PeJP NA NA +PJ076483 ACCCYYW C41H50N8O10S3 910.2812 NA PeJP NA NA +PJ076484 GPDDDDDY C36H46N8O20 910.2829 NA PeJP NA NA +PJ076485 GSSCCEYY C37H50N8O15S2 910.2837 NA PeJP NA NA +PJ076486 PPCCDDDF C37H50N8O15S2 910.2838 NA PeJP NA NA +PJ076487 CCNMMFY C38H54N8O10S4 910.2846 NA PeJP NA NA +PJ076488 GSCEEEEE C33H50N8O20S 910.2862 NA PeJP NA NA +PJ076489 GSDDEEEM C33H50N8O20S 910.2863 NA PeJP NA NA +PJ076490 GPDDDMMM C34H54N8O15S3 910.2871 NA PeJP NA NA +PJ076491 GCCCNQHF C35H50N12O11S3 910.2885 NA PeJP NA NA +PJ076492 SSSSSCCNH C31H50N12O16S2 910.2909 NA PeJP NA NA +PJ076493 GCCNDDER C31H50N12O16S2 910.291 NA PeJP NA NA +PJ076494 SCCCCQKH C32H54N12O11S4 910.2918 NA PeJP NA NA +PJ076495 PCCCNWW C40H50N10O9S3 910.2925 NA PeJP NA NA +PJ076496 GNNDDDDF C35H46N10O19 910.2941 NA PeJP NA NA +PJ076497 CNNDEMW C36H50N10O14S2 910.295 NA PeJP NA NA +PJ076498 TCCMMHW C37H54N10O9S4 910.2958 NA PeJP NA NA +PJ076499 APCCCMHF C37H54N10O9S4 910.2959 NA PeJP NA NA +PJ076500 SSNNDDEM C32H50N10O19S 910.2975 NA PeJP NA NA +PJ076501 SSSCEMMH C33H54N10O14S3 910.2983 NA PeJP NA NA +PJ076502 GGSPCNDMM C33H54N10O14S3 910.2984 NA PeJP NA NA +PJ076503 GCNNDDHH C33H46N14O15S 910.2988 NA PeJP NA NA +PJ076504 SSCCYYW C41H50N8O12S2 910.299 NA PeJP NA NA +PJ076505 CQMMMMH C34H58N10O9S5 910.2992 NA PeJP NA NA +PJ076506 GSCCMHHH C34H50N14O10S3 910.2997 NA PeJP NA NA +PJ076507 SDDEEMW C37H50N8O17S 910.3015 NA PeJP NA NA +PJ076508 PCDEMMW C38H54N8O12S3 910.3024 NA PeJP NA NA +PJ076509 SSSDEEEE C33H50N8O22 910.304 NA PeJP NA NA +PJ076510 NEEEEMM C34H54N8O17S2 910.3049 NA PeJP NA NA +PJ076511 GSDDDEHH C34H46N12O18 910.3054 NA PeJP NA NA +PJ076512 SPPCDMMM C35H58N8O12S4 910.3057 NA PeJP NA NA +PJ076513 CCNDDRW C35H50N12O13S2 910.3062 NA PeJP NA NA +PJ076514 SSCNDDDR C31H50N12O18S 910.3087 NA PeJP NA NA +PJ076515 SPCCCNER C32H54N12O13S3 910.3096 NA PeJP NA NA +PJ076516 GCNDMWW C40H50N10O11S2 910.3102 NA PeJP NA NA +PJ076517 CCMMMHR C33H58N12O8S5 910.3105 NA PeJP NA NA +MJ097471 Austrosmoside C42H54O22 910.310673 NA MeJP NA NA +MJ097472 GL 5 C42H54O22 910.310673 NA MeJP NA NA +MJ097473 Jaspolyanoside C42H54O22 910.310673 NA MeJP NA NA +PJ076518 GSSNDDMW C36H50N10O16S 910.3127 NA PeJP NA NA +PJ076519 GGGGGPCDEY C36H50N10O16S 910.3128 NA PeJP NA NA +PJ076520 GSPCCQMW C37H54N10O11S3 910.3136 NA PeJP NA NA +PJ076521 GSSSSNDEE C32H50N10O21 910.3152 NA PeJP NA NA +PJ076522 DDDEMMR C33H54N10O16S2 910.3161 NA PeJP NA NA +PJ076523 GCNEYYY C41H50N8O14S 910.3167 NA PeJP NA NA +PJ076524 PCDDEFW C41H50N8O14S 910.3168 NA PeJP NA NA +PJ076525 GSSMMMMH C34H58N10O11S4 910.317 NA PeJP NA NA +PJ076526 SSTCCHHH C34H50N14O12S2 910.3174 NA PeJP NA NA +PJ076527 GGSPCCNHH C34H50N14O12S2 910.3175 NA PeJP NA NA +PJ076528 CCNMFFF C42H54N8O9S3 910.3176 NA PeJP NA NA +MetaCyc04292 3''-adenylylstreptomycin [] C31H51N12O18P1 910.318189 NA metacyc NA NA +C03462 3''-Adenylylstreptomycin C31H51N12O18P 910.3182 NA KEGG NA NA +C03463 3'-Phosphopolynucleotide C10H18O13P2R2 910.3182 NA KEGG NA NA +PJ076529 GSPDDEEY C37H50N8O19 910.3193 NA PeJP NA NA +PJ076530 GEEEMMW C38H54N8O14S2 910.3201 NA PeJP NA NA +PJ076531 SDDDHHW C38H46N12O15 910.3206 NA PeJP NA NA +PJ076532 GCCNNNMR C31H54N14O12S3 910.3208 NA PeJP NA NA +PJ076533 PCCEHHW C39H50N12O10S2 910.3215 NA PeJP NA NA +PJ076534 GSTEEEEM C34H54N8O19S 910.3226 NA PeJP NA NA +PJ076535 GSPEEMMM C35H58N8O14S3 910.3235 NA PeJP NA NA +PJ076536 SSSCNNNW C35H50N12O15S 910.324 NA PeJP NA NA +PJ076537 APPCMMMM C36H62N8O9S5 910.3244 NA PeJP NA NA +PJ076538 GSPCCCRW C36H54N12O10S3 910.3248 NA PeJP NA NA +PJ076539 GGGCCCKHF C36H54N12O10S3 910.3249 NA PeJP NA NA +PJ076540 CCQWWW C44H50N10O8S2 910.3255 NA PeJP NA NA +PJ076541 SSSSSNNND C31H50N12O20 910.3265 NA PeJP NA NA +PJ076542 GSCNDEMR C32H54N12O15S2 910.3273 NA PeJP NA NA +PJ076543 GGGSCDEMR C32H54N12O15S2 910.3274 NA PeJP NA NA +PJ076544 SSCNEWW C40H50N10O13S 910.328 NA PeJP NA NA +PJ076545 GPCCNMMR C33H58N12O10S4 910.3282 NA PeJP NA NA +PJ076546 GCMMHFW C41H54N10O8S3 910.3289 NA PeJP NA NA +PJ076547 SSSSNDEW C36H50N10O18 910.3305 NA PeJP NA NA +PJ076548 SNNEMMW C37H54N10O13S2 910.3314 NA PeJP NA NA +PJ076549 CNYYYW C45H50N8O11S 910.332 NA PeJP NA NA +PJ076550 CCQHHHF C38H50N14O9S2 910.3327 NA PeJP NA NA +PJ076551 SSSSSPCQE C33H54N10O18S 910.3338 NA PeJP NA NA +PJ076552 SSSNQEEM C33H54N10O18S 910.3339 NA PeJP NA NA +PJ076553 SPDDEYW C41H50N8O16 910.3345 NA PeJP NA NA +PJ076554 SSSTMMMH C34H58N10O13S3 910.3347 NA PeJP NA NA +PJ076555 GGGGAAEMMM C34H58N10O13S3 910.3348 NA PeJP NA NA +PJ076556 CDDEHHR C34H50N14O14S 910.3352 NA PeJP NA NA +PJ076557 EEMMWW C42H54N8O11S2 910.3354 NA PeJP NA NA +PJ076558 CKMMMMH C35H62N10O8S5 910.3356 NA PeJP NA NA +PJ076559 STEEEMW C38H54N8O16S 910.3379 NA PeJP NA NA +PJ076560 GSCCDDRR C31H54N14O14S2 910.3386 NA PeJP NA NA +PJ076561 SPEMMMW C39H58N8O11S3 910.3387 NA PeJP NA NA +PJ076562 PTDMMMW C39H58N8O11S3 910.3388 NA PeJP NA NA +PJ076563 CNNNNFW C39H50N12O12S 910.3392 NA PeJP NA NA +PJ076564 GGGGGGGGCFW C39H50N12O12S 910.3393 NA PeJP NA NA +PJ076565 APCCCCRR C32H58N14O9S4 910.3395 NA PeJP NA NA +PJ076566 SSTTEEEE C34H54N8O21 910.3404 NA PeJP NA NA +PJ076567 DKEEEMM C35H58N8O16S2 910.3413 NA PeJP NA NA +PJ076568 NNDDDRY C35H50N12O17 910.3417 NA PeJP NA NA +PJ076569 GGGGGGGGGSEY C35H50N12O17 910.3418 NA PeJP NA NA +PJ076570 AAPEMMMM C36H62N8O11S4 910.3421 NA PeJP NA NA +PJ076571 SCNDMRW C36H54N12O12S2 910.3426 NA PeJP NA NA +PJ076572 NDDHHHH C36H46N16O13 910.3431 NA PeJP NA NA +PJ076573 GSSCWWW C44H50N10O10S 910.3432 NA PeJP NA NA +PJ076574 SSSNDDMR C32H54N12O17S 910.3451 NA PeJP NA NA +PJ076575 GSSSSDWW C40H50N10O15 910.3457 NA PeJP NA NA +PJ076576 GGGNEEYW C40H50N10O15 910.3458 NA PeJP NA NA +PJ076577 NNDMMMR C33H58N12O12S3 910.346 NA PeJP NA NA +PJ076578 GSNMMWW C41H54N10O10S2 910.3466 NA PeJP NA NA +PJ076579 GSSSQEMW C37H54N10O15S 910.3491 NA PeJP NA NA +PJ076580 DEEFWW C45H50N8O13 910.3498 NA PeJP NA NA +PJ076581 GQQMMMW C38H58N10O10S3 910.35 NA PeJP NA NA +PJ076582 SCNQHHW C38H50N14O11S 910.3505 NA PeJP NA NA +PJ076583 GSSSSTQEE C33H54N10O20 910.3516 NA PeJP NA NA +PJ076584 SEEEMMR C34H58N10O15S2 910.3525 NA PeJP NA NA +PJ076585 SSSNNEHH C34H50N14O16 910.353 NA PeJP NA NA +PJ076586 GPEEMYW C42H54N8O13S 910.3531 NA PeJP NA NA +PJ076587 GPPCDEFF C42H54N8O13S 910.3532 NA PeJP NA NA +PJ076588 PDMMMMR C35H62N10O10S4 910.3534 NA PeJP NA NA +PJ076589 NNQMMHH C35H54N14O11S2 910.3538 NA PeJP NA NA +PJ076590 GGGGGAMMHH C35H54N14O11S2 910.3539 NA PeJP NA NA +PJ076591 PPCMMFW C43H58N8O8S3 910.354 NA PeJP NA NA +PJ076592 DMHHWW C43H50N12O9S 910.3545 NA PeJP NA NA +PJ076593 VNEEEEY C38H54N8O18 910.3556 NA PeJP NA NA +PJ076594 GGVEEEEY C38H54N8O18 910.3557 NA PeJP NA NA +PJ076595 GSSSSCNNR C31H54N14O16S 910.3563 NA PeJP NA NA +PJ076596 SVEEMMW C39H58N8O13S2 910.3565 NA PeJP NA NA +PJ076597 SNNNNYW C39H50N12O14 910.357 NA PeJP NA NA +PJ076598 CCNEMRR C32H58N14O11S3 910.3572 NA PeJP NA NA +PJ076599 PCLMMMW C40H62N8O8S4 910.3574 NA PeJP NA NA +PJ076600 ASCCRWW C40H54N12O9S2 910.3578 NA PeJP NA NA +PJ076601 GTCCRWW C40H54N12O9S2 910.3579 NA PeJP NA NA +PJ076602 SSSLEEEM C35H58N8O18S 910.359 NA PeJP NA NA +PJ076603 LQEEMMM C36H62N8O13S3 910.3599 NA PeJP NA NA +PJ076604 NNNQQMY C36H54N12O14S 910.3603 NA PeJP NA NA +PJ076605 GSSSCERW C36H54N12O14S 910.3604 NA PeJP NA NA +PJ076606 NNEYWW C44H50N10O12 910.361 NA PeJP NA NA +PJ076607 GCQMMRW C37H58N12O9S3 910.3612 NA PeJP NA NA +PJ076608 GSPCHHHH C37H50N16O10S 910.3617 NA PeJP NA NA +PJ076609 CCKWWW C45H54N10O7S2 910.3619 NA PeJP NA NA +PJ076610 GSSSSSDER C32H54N12O19 910.3628 NA PeJP NA NA +PJ076611 GSSSSTDDR C32H54N12O19 910.3629 NA PeJP NA NA +MJ097474 Nitaphylline C48H54N4O14 910.363652 NA MeJP NA NA +PJ076612 GSSNEMMR C33H58N12O14S2 910.3637 NA PeJP NA NA +PJ076613 GNNNNNQH C33H50N16O15 910.3642 NA PeJP NA NA +PJ076614 SSSQMWW C41H54N10O12S 910.3644 NA PeJP NA NA +PJ076615 APCCCKMR C34H62N12O9S4 910.3646 NA PeJP NA NA +PJ076616 CNNMHHR C34H54N16O10S2 910.3651 NA PeJP NA NA +PJ076617 SSSSTQEW C37H54N10O17 910.3669 NA PeJP NA NA +PJ076618 SNDKMMW C38H58N10O12S2 910.3677 NA PeJP NA NA +PJ076619 GGSDKMMW C38H58N10O12S2 910.3678 NA PeJP NA NA +PJ076620 GSSSNHHW C38H50N14O13 910.3682 NA PeJP NA NA +PJ076621 PEMYWW C46H54N8O10S 910.3684 NA PeJP NA NA +PJ076622 CCKHHHF C39H54N14O8S2 910.3691 NA PeJP NA NA +PJ076623 SSSNKEEM C34H58N10O17S 910.3702 NA PeJP NA NA +PJ076624 GGSSSKEEM C34H58N10O17S 910.3703 NA PeJP NA NA +PJ076625 GVEEEYW C42H54N8O15 910.3709 NA PeJP NA NA +PJ076626 VDEMMMR C35H62N10O12S3 910.3711 NA PeJP NA NA +PJ076627 CNNNQRY C35H54N14O13S 910.3716 NA PeJP NA NA +PJ076628 SPPMMYW C43H58N8O10S2 910.3718 NA PeJP NA NA +PJ076629 GPNDHWW C43H50N12O11 910.3722 NA PeJP NA NA +PJ076630 GGGPDHWW C43H50N12O11 910.3723 NA PeJP NA NA +PJ076631 GCCMRRW C36H58N14O8S3 910.3725 NA PeJP NA NA +PJ076632 PDKEEMY C39H58N8O15S 910.3743 NA PeJP NA NA +PJ076633 SSCCNNKR C32H58N14O13S2 910.3749 NA PeJP NA NA +PJ076634 GSSCDMRR C32H58N14O13S2 910.375 NA PeJP NA NA +PJ076635 ALEMMMW C40H62N8O10S3 910.3751 NA PeJP NA NA +PJ076636 SSSCRWW C40H54N12O11S 910.3756 NA PeJP NA NA +PJ076637 GNYWWW C48H50N10O9 910.3763 NA PeJP NA NA +PJ076638 TTTTTEEE C35H58N8O20 910.3768 NA PeJP NA NA +PJ076639 GTTLEEMM C36H62N8O15S2 910.3776 NA PeJP NA NA +PJ076640 SSSSSDRW C36H54N12O16 910.3781 NA PeJP NA NA +PJ076641 GPTLMMMM C37H66N8O10S4 910.3785 NA PeJP NA NA +PJ076642 SSNMMRW C37H58N12O11S2 910.379 NA PeJP NA NA +PJ076643 SQEHHHH C37H50N16O12 910.3794 NA PeJP NA NA +PJ076644 GGTEHHHH C37H50N16O12 910.3795 NA PeJP NA NA +PJ076645 NQMFWW C45H54N10O9S 910.3796 NA PeJP NA NA +PJ076646 SSSSQEMR C33H58N12O16S 910.3815 NA PeJP NA NA +PJ076647 GSSSTTWW C41H54N10O14 910.3821 NA PeJP NA NA +PJ076648 GGGPPPDEW C41H54N10O14 910.3822 NA PeJP NA NA +PJ076649 SQQMMMR C34H62N12O11S3 910.3823 NA PeJP NA NA +PJ076650 GGTQMMMR C34H62N12O11S3 910.3824 NA PeJP NA NA +PJ076651 GSSCQHHR C34H54N16O12S 910.3828 NA PeJP NA NA +PJ076652 GGGGGGGPCHR C34H54N16O12S 910.3829 NA PeJP NA NA +PJ076653 GTCKMWW C42H58N10O9S2 910.383 NA PeJP NA NA +PJ076654 GNNHHFW C42H50N14O10 910.3835 NA PeJP NA NA +PJ076655 GSSSKEMW C38H58N10O14S 910.3855 NA PeJP NA NA +PJ076656 QQFYYY C46H54N8O12 910.3861 NA PeJP NA NA +PJ076657 VEEYWW C46H54N8O12 910.3862 NA PeJP NA NA +PJ076658 GQKMMMW C39H62N10O9S3 910.3864 NA PeJP NA NA +PJ076659 SCNKHHW C39H54N14O10S 910.3868 NA PeJP NA NA +PJ076660 GGSCKHHW C39H54N14O10S 910.3869 NA PeJP NA NA +PJ076661 GSSSSTKEE C34H58N10O19 910.388 NA PeJP NA NA +PJ076662 GSTQKEMM C35H62N10O14S2 910.3889 NA PeJP NA NA +PJ076663 GSSNNNRY C35H54N14O15 910.3893 NA PeJP NA NA +PJ076664 GGGGGSSNRY C35H54N14O15 910.3894 NA PeJP NA NA +PJ076665 SPVEMYW C43H58N8O12S 910.3895 NA PeJP NA NA +PJ076666 APCCKKMM C36H66N10O9S4 910.3898 NA PeJP NA NA +PJ076667 STCCRRW C36H58N14O10S2 910.3902 NA PeJP NA NA +PJ076668 CNFRWW C44H54N12O8S 910.3909 NA PeJP NA NA +PJ076669 VDKEEEY C39H58N8O17 910.392 NA PeJP NA NA +PJ076670 SSSSCERR C32H58N14O15S 910.3927 NA PeJP NA NA +PJ076671 TTLEMMW C40H62N8O12S2 910.3929 NA PeJP NA NA +PJ076672 GSNERYW C40H54N12O13 910.3934 NA PeJP NA NA +PJ076673 SCQMMRR C33H62N14O10S3 910.3936 NA PeJP NA NA +PJ076674 GLMMHHW C41H58N12O8S2 910.3942 NA PeJP NA NA +PJ076675 GTHHHHW C41H50N16O9 910.3947 NA PeJP NA NA +PJ076676 STTTLEEM C36H62N8O17S 910.3954 NA PeJP NA NA +PJ076677 LKEEMMM C37H66N8O12S3 910.3963 NA PeJP NA NA +PJ076678 GSSSTMRW C37H58N12O13S 910.3967 NA PeJP NA NA +PJ076679 GGGAAEMRY C37H58N12O13S 910.3968 NA PeJP NA NA +PJ076680 NDKYWW C45H54N10O11 910.3974 NA PeJP NA NA +PJ076681 GCKMMRW C38H62N12O8S3 910.3976 NA PeJP NA NA +PJ076682 VNMHHHH C38H54N16O9S 910.3981 NA PeJP NA NA +PJ076683 GSSSSTTER C33H58N12O18 910.3992 NA PeJP NA NA +PJ076684 GSSDKMMR C34H62N12O13S2 910.4001 NA PeJP NA NA +PJ076685 SSSSNHHR C34H54N16O14 910.4006 NA PeJP NA NA +PJ076686 SSSKMWW C42H58N10O11S 910.4007 NA PeJP NA NA +PJ076687 GVQQMYW C42H58N10O11S 910.4008 NA PeJP NA NA +PJ076688 PPYYWW C50H54N8O9 910.4014 NA PeJP NA NA +PJ076689 CCQKHHR C35H58N16O9S2 910.4015 NA PeJP NA NA +PJ076690 SSSSTKEW C38H58N10O16 910.4032 NA PeJP NA NA +PJ076691 SSSTTDKW C38H58N10O16 910.4033 NA PeJP NA NA +PJ076692 STQKMMW C39H62N10O11S2 910.4041 NA PeJP NA NA +PJ076693 GGGGAALMMF C39H62N10O11S2 910.4042 NA PeJP NA NA +PJ076694 SPNDHRW C39H54N14O12 910.4046 NA PeJP NA NA +PJ076695 LEMFWW C47H58N8O9S 910.4048 NA PeJP NA NA +PJ076696 SSSDKKEM C35H62N10O16S 910.4066 NA PeJP NA NA +PJ076697 ATLEEYW C43H58N8O14 910.4073 NA PeJP NA NA +PJ076698 TLEMMMR C36H66N10O11S3 910.4075 NA PeJP NA NA +PJ076699 GNDMRRY C36H58N14O12S 910.408 NA PeJP NA NA +PJ076700 APLMMYW C44H62N8O9S2 910.4082 NA PeJP NA NA +PJ076701 SNRYWW C44H54N12O10 910.4086 NA PeJP NA NA +PJ076702 GMHHHHR C37H54N18O8S 910.4093 NA PeJP NA NA +PJ076703 PPTTTTMY C40H62N8O14S 910.4106 NA PeJP NA NA +PJ076704 VLQEEMY C40H62N8O14S 910.4107 NA PeJP NA NA +PJ076705 GSSSMMRR C33H62N14O12S2 910.4113 NA PeJP NA NA +PJ076706 SLLMMMW C41H66N8O9S3 910.4115 NA PeJP NA NA +PJ076707 QQMRYW C41H58N12O10S 910.412 NA PeJP NA NA +PJ076708 QHFFFW C49H54N10O8 910.4126 NA PeJP NA NA +PJ076709 GAHFFFW C49H54N10O8 910.4127 NA PeJP NA NA +PJ076710 SSTLLEMM C37H66N8O14S2 910.414 NA PeJP NA NA +PJ076711 SSSSTTRW C37H58N12O15 910.4145 NA PeJP NA NA +PJ076712 AALLMMMM C38H70N8O9S4 910.4149 NA PeJP NA NA +PJ076713 STCKMRW C38H62N12O10S2 910.4154 NA PeJP NA NA +PJ076714 GNNQHRW C38H54N16O11 910.4158 NA PeJP NA NA +PJ076715 GGGGGQHRW C38H54N16O11 910.4159 NA PeJP NA NA +PJ076716 NKMFWW C46H58N10O8S 910.416 NA PeJP NA NA +PJ076717 SSSSKEMR C34H62N12O15S 910.4179 NA PeJP NA NA +PJ076718 GTQKEYW C42H58N10O13 910.4185 NA PeJP NA NA +PJ076719 SQKMMMR C35H66N12O10S3 910.4187 NA PeJP NA NA +PJ076720 GGGCCKKKM C35H66N12O10S3 910.4188 NA PeJP NA NA +PJ076721 PCNEHRR C35H58N16O11S 910.4192 NA PeJP NA NA +PJ076722 PCCKKFW C43H62N10O8S2 910.4194 NA PeJP NA NA +PJ076723 EHHFRW C43H54N14O9 910.4199 NA PeJP NA NA +PJ076724 GSTTTKMW C39H62N10O13S 910.4219 NA PeJP NA NA +PJ076725 SPPVYYW C47H58N8O11 910.4225 NA PeJP NA NA +PJ076726 GAPPEFFF C47H58N8O11 910.4226 NA PeJP NA NA +PJ076727 GKKMMMW C40H66N10O8S3 910.4228 NA PeJP NA NA +PJ076728 CQRRYW C40H58N14O9S 910.4232 NA PeJP NA NA +PJ076729 VHHFWW C48H54N12O7 910.4239 NA PeJP NA NA +PJ076730 SSSSSSLKE C35H62N10O18 910.4244 NA PeJP NA NA +PJ076731 ATTTQKMM C36H66N10O13S2 910.4252 NA PeJP NA NA +PJ076732 GSTKKEMM C36H66N10O13S2 910.4253 NA PeJP NA NA +PJ076733 SSNERRY C36H58N14O14 910.4257 NA PeJP NA NA +PJ076734 GGGVVDDHR C36H58N14O14 910.4258 NA PeJP NA NA +PJ076735 GLLEMYW C44H62N8O11S 910.4259 NA PeJP NA NA +PJ076736 VLMMMMR C37H70N10O8S4 910.4261 NA PeJP NA NA +PJ076737 GNMMFRR C37H62N14O9S2 910.4266 NA PeJP NA NA +PJ076738 STHHHHR C37H54N18O10 910.4271 NA PeJP NA NA +PJ076739 TLKEEEY C40H62N8O16 910.4284 NA PeJP NA NA +PJ076740 SSSSTMRR C33H62N14O14S 910.4291 NA PeJP NA NA +PJ076741 PLKEMMY C41H66N8O11S2 910.4293 NA PeJP NA NA +PJ076742 GTTQRYW C41H58N12O12 910.4297 NA PeJP NA NA +PJ076743 GSDKRYW C41H58N12O12 910.4298 NA PeJP NA NA +PJ076744 SCKMMRR C34H66N14O9S3 910.43 NA PeJP NA NA +PJ076745 ATTILMMM C38H70N8O11S3 910.4326 NA PeJP NA NA +PJ076746 ATTLLMMM C38H70N8O11S3 910.4327 NA PeJP NA NA +PJ076747 GQKEMRY C38H62N12O12S 910.4331 NA PeJP NA NA +PJ076748 GGGGGGPPPKM C38H62N12O12S 910.4332 NA PeJP NA NA +PJ076749 TQKYWW C46H58N10O10 910.4338 NA PeJP NA NA +PJ076750 GPCHRRW C39H58N16O8S 910.4345 NA PeJP NA NA +PJ076751 SSSSSSTLR C34H62N12O17 910.4356 NA PeJP NA NA +PJ076752 GSTTKMMR C35H66N12O12S2 910.4365 NA PeJP NA NA +PJ076753 GQEEHRR C35H58N16O13 910.437 NA PeJP NA NA +PJ076754 GVQKMYW C43H62N10O10S 910.4371 NA PeJP NA NA +PJ076755 GGGLKMYW C43H62N10O10S 910.4372 NA PeJP NA NA +PJ076756 PLFYWW C51H58N8O8 910.4378 NA PeJP NA NA +PJ076757 SSTTTTKW C39H62N10O15 910.4396 NA PeJP NA NA +PJ076758 GGTKKEEY C39H62N10O15 910.4397 NA PeJP NA NA +PJ076759 STKKMMW C40H66N10O10S2 910.4405 NA PeJP NA NA +PJ076760 GSSRRYW C40H58N14O11 910.441 NA PeJP NA NA +PJ076761 LLMYWW C48H62N8O8S 910.4412 NA PeJP NA NA +PJ076762 SSTTKKEM C36H66N10O15S 910.443 NA PeJP NA NA +PJ076763 STLLEYW C44H62N8O13 910.4437 NA PeJP NA NA +PJ076764 DKKKMMM C37H70N10O10S3 910.4439 NA PeJP NA NA +PJ076765 SVCQRRY C37H62N14O11S 910.4443 NA PeJP NA NA +PJ076766 GTQMRRY C37H62N14O11S 910.4444 NA PeJP NA NA +PJ076767 ALLMMFW C45H66N8O8S2 910.4445 NA PeJP NA NA +PJ076768 GPTKHWW C45H58N12O9 910.445 NA PeJP NA NA +PJ076769 VLKEEMY C41H66N8O13S 910.447 NA PeJP NA NA +PJ076770 PPPVLEEM C41H66N8O13S 910.4471 NA PeJP NA NA +PJ076771 GDDHRRR C34H58N18O12 910.4482 NA PeJP NA NA +PJ076772 QKMRYW C42H62N12O9S 910.4484 NA PeJP NA NA +PJ076773 KHFFFW C50H58N10O7 910.449 NA PeJP NA NA +PJ076774 TTTTLLMM C38H70N8O13S2 910.4504 NA PeJP NA NA +PJ076775 STQKERY C38H62N12O14 910.4509 NA PeJP NA NA +PJ076776 AQKMMFR C39H66N12O9S2 910.4517 NA PeJP NA NA +PJ076777 GAAKMMFR C39H66N12O9S2 910.4518 NA PeJP NA NA +PJ076778 QEHRRW C39H58N16O10 910.4522 NA PeJP NA NA +PJ076779 SSTTTKMR C35H66N12O14S 910.4542 NA PeJP NA NA +PJ076780 GTKKEYW C43H62N10O12 910.4549 NA PeJP NA NA +PJ076781 SKKMMMR C36H70N12O9S3 910.4551 NA PeJP NA NA +PJ076782 GTCRRRY C36H62N16O10S 910.4556 NA PeJP NA NA +PJ076783 VQHRWW C44H58N14O8 910.4562 NA PeJP NA NA +MJ097475 3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C46H70O18 910.456215 NA MeJP NA NA +MJ097476 Cynajapogenin A; 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-L-cymaropyranoside] C46H70O18 910.456215 NA MeJP NA NA +MJ097477 Pfaffic acid; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-?-D-glucopyranosyl ester C46H70O18 910.456215 NA MeJP NA NA +MJ097478 Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-4-O-acetyl-?-L-arabinopyranoside] C46H70O18 910.456215 NA MeJP NA NA +PJ076784 GGLHRWW C44H58N14O8 910.4563 NA PeJP NA NA +MJ097479 Mycalolide A; 30R-Alcohol C47H66N4O14 910.457552 NA MeJP NA NA +PJ076785 SLLEMRY C40H66N10O12S 910.4583 NA PeJP NA NA +PJ076786 GPLLYYW C48H62N8O10 910.4589 NA PeJP NA NA +PJ076787 CKRRYW C41H62N14O8S 910.4596 NA PeJP NA NA +PJ076788 SSSSTTTLK C36H66N10O17 910.4608 NA PeJP NA NA +PJ076789 SSSLKKMM C37H70N10O12S2 910.4616 NA PeJP NA NA +PJ076790 SSDKRRY C37H62N14O13 910.4621 NA PeJP NA NA +PJ076791 SVLLMYW C45H66N8O10S 910.4623 NA PeJP NA NA +PJ076792 ACKMFRR C38H66N14O8S2 910.463 NA PeJP NA NA +PJ076793 SSSLLLEY C41H66N8O15 910.4648 NA PeJP NA NA +PJ076794 LLLQMMY C42H70N8O10S2 910.4657 NA PeJP NA NA +PJ076795 GTTKRYW C42H62N12O11 910.4661 NA PeJP NA NA +PJ076796 GGPPLERW C42H62N12O11 910.4662 NA PeJP NA NA +PJ076797 SPCHRRR C35H62N18O9S 910.4668 NA PeJP NA NA +PJ076798 AHRRWW C43H58N16O7 910.4675 NA PeJP NA NA +PJ076799 GKKEMRY C39H66N12O11S 910.4695 NA PeJP NA NA +PJ076800 TKKYWW C47H62N10O9 910.4702 NA PeJP NA NA +MJ097480 Brevetoxin B; 27,28-Dihydro, 27S,28R-epoxide C50H70O15 910.471471 NA MeJP NA NA +PJ076801 SSCCKKKK C36H70N12O11S2 910.4729 NA PeJP NA NA +PJ076802 SSSRRRY C36H62N16O12 910.4733 NA PeJP NA NA +PJ076803 PPDDRRR C36H62N16O12 910.4734 NA PeJP NA NA +PJ076804 GVKKMYW C44H66N10O9S 910.4735 NA PeJP NA NA +PJ076805 LLFFWW C52H62N8O7 910.4742 NA PeJP NA NA +PJ076806 SKKKEEY C40H66N10O14 910.476 NA PeJP NA NA +PJ076807 GAAPPLKEE C40H66N10O14 910.4761 NA PeJP NA NA +PJ076808 VVLMMRY C41H70N10O9S2 910.4769 NA PeJP NA NA +MJ097481 Calonyctin A2 C43H74O20 910.477344 NA MeJP NA NA +PJ076809 APPERRW C41H62N14O10 910.4774 NA PeJP NA NA +PJ076810 TTTTTKKM C37H70N10O14S 910.4794 NA PeJP NA NA +PJ076811 VLLQEFY C45H66N8O12 910.48 NA PeJP NA NA +PJ076812 PVLKEYY C45H66N8O12 910.4801 NA PeJP NA NA +PJ076813 GTKMRRY C38H66N14O10S 910.4807 NA PeJP NA NA +PJ076814 GPPPTMRR C38H66N14O10S 910.4808 NA PeJP NA NA +PJ076815 GPPLRWW C46H62N12O8 910.4814 NA PeJP NA NA +PJ076816 GTTLLLMY C42H70N8O12S 910.4834 NA PeJP NA NA +PJ076817 GTEHRRR C35H62N18O11 910.4846 NA PeJP NA NA +PJ076818 KKMRYW C43H66N12O8S 910.4848 NA PeJP NA NA +PJ076819 STKKERY C39H66N12O13 910.4873 NA PeJP NA NA +PJ076820 AKKMMFR C40H70N12O8S2 910.4881 NA PeJP NA NA +PJ076821 KEHRRW C40H62N16O9 910.4886 NA PeJP NA NA +PJ076822 SSLKKYW C44H66N10O11 910.4913 NA PeJP NA NA +PJ076823 SPKMHRR C37H66N16O9S 910.492 NA PeJP NA NA +MJ097482 11,12-Epoxy-3,13-dihydroxy-28-oleananoic acid, 28?13 Lactone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-L-arabinopyranoside] C47H74O17 910.4926 NA MeJP NA NA +MJ097483 12-Oleanene-3,16,22,23,28-pentol, 22-Tigloyl, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-glucuronopyranoside] C47H74O17 910.4926 NA MeJP NA NA +MJ097484 12-Oleanene-3,22,24-triol, 22-Ketone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside] C47H74O17 910.4926 NA MeJP NA NA +MJ097485 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2,3,4-Tri-O-acetyl-?-D-xylopyranoside), 6-O-?-D-glucopyranoside C47H74O17 910.4926 NA MeJP NA NA +MJ097486 27(13?18)-Abeo-3-hydroxy-26-nor-13-taraxeren-28-oic acid, 3-Ketone, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C47H74O17 910.4926 NA MeJP NA NA +MJ097487 27(13?18)-Abeo-3-hydroxy-26-nor-14-taraxeren-28-oic acid, 3-Ketone, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C47H74O17 910.4926 NA MeJP NA NA +MJ097488 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-xylopyranosyl-(1?2)-?-D-fucopyranosyl-(1?6)-?-D-glucopyranoside] C47H74O17 910.4926 NA MeJP NA NA +MJ097489 3,21-Dihydroxy-12-oleanen-28-oic acid, 28?21 Lactone, 3-O-[?-D-glucopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] C47H74O17 910.4926 NA MeJP NA NA +MJ097490 3,22-Dihydroxy-12-oleanen-25-al, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside] C47H74O17 910.4926 NA MeJP NA NA +MJ097491 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Tigloyl, 3-O-[?-D-thevetopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C47H74O17 910.4926 NA MeJP NA NA +MJ097492 3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside] C47H74O17 910.4926 NA MeJP NA NA +MJ097493 3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?2)]-?-L-arabinopyranoside] C47H74O17 910.4926 NA MeJP NA NA +MJ097494 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucuronopyranoside] C47H74O17 910.4926 NA MeJP NA NA +MJ097495 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-?-D-glucuronopyranoside] C47H74O17 910.4926 NA MeJP NA NA +MJ097496 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-[?-D-xylopyranosyl-(1?4)]-?-D-glucuronopyranoside] C47H74O17 910.4926 NA MeJP NA NA +MJ097497 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-xylopyranosyl-(1?4)-?-D-glucuronopyranoside] C47H74O17 910.4926 NA MeJP NA NA +PJ076824 VKHRWW C45H62N14O7 910.4926 NA PeJP NA NA +PJ076825 VDKKKMY C41H70N10O11S 910.4947 NA PeJP NA NA +PJ076826 GLLLFYW C49H66N8O9 910.4953 NA PeJP NA NA +PJ076827 STTKRRY C38H66N14O12 910.4985 NA PeJP NA NA +PJ076828 PLLKMFY C46H70N8O9S 910.4987 NA PeJP NA NA +PJ076829 THRRRW C39H62N18O8 910.4998 NA PeJP NA NA +PJ076830 STTTLLLY C42H70N8O14 910.5012 NA PeJP NA NA +PJ076831 LLLKMMY C43H74N8O9S2 910.5021 NA PeJP NA NA +MJ097498 Schistostatin 5 C43H66N12O10 910.502486 NA MeJP NA NA +PJ076832 PPVKERW C43H66N12O10 910.5025 NA PeJP NA NA +PJ076833 GVMHRRR C36H66N18O8S 910.5032 NA PeJP NA NA +PJ076834 SVKKMRY C40H70N12O10S 910.5059 NA PeJP NA NA +PJ076835 PPVVKWW C48H66N10O8 910.5066 NA PeJP NA NA +PJ076836 PPTERRR C37H66N16O11 910.5097 NA PeJP NA NA +PJ076837 GGGAPLQRR C37H66N16O11 910.5098 NA PeJP NA NA +PJ076838 VLLLMHW C45H70N10O8S 910.5099 NA PeJP NA NA +PJ076839 GTTTLKKY C41H70N10O13 910.5124 NA PeJP NA NA +PJ076840 VKKKMMF C42H74N10O8S2 910.5133 NA PeJP NA NA +PJ076841 SPPLRRW C42H66N14O9 910.5138 NA PeJP NA NA +PJ076842 MHRRRR C35H66N20O7S 910.5145 NA PeJP NA NA +PJ076843 VLLLQYY C46H70N8O11 910.5164 NA PeJP NA NA +PJ076844 PPPVLLEF C46H70N8O11 910.5165 NA PeJP NA NA +PJ076845 AAPPLMRR C39H70N14O9S 910.5171 NA PeJP NA NA +PJ076846 KKFFRW C47H66N12O7 910.5178 NA PeJP NA NA +PJ076847 PPVLLLEM C43H74N8O11S 910.5198 NA PeJP NA NA +PJ076848 SSLHRRR C36H66N18O10 910.521 NA PeJP NA NA +PJ076849 SPPTLLQR C40H70N12O12 910.5236 NA PeJP NA NA +PJ076850 APPTLKER C40H70N12O12 910.5237 NA PeJP NA NA +PJ076851 APKHFRR C41H66N16O8 910.525 NA PeJP NA NA +PJ076852 GPPTLLKW C45H70N10O10 910.5277 NA PeJP NA NA +PJ076853 PPVMRRR C38H70N16O8S 910.5284 NA PeJP NA NA +MJ097499 11,13(18)-Oleanadiene-3,16,28-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-fucopyranoside] C48H78O16 910.528986 NA MeJP NA NA +MJ097500 13,28-Epoxy-11-oleanene-3,16-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-fucopyranoside] C48H78O16 910.528986 NA MeJP NA NA +MJ097501 Xestovanin A; 20-O-?-L-Rhamnopyranoside C48H78O16 910.528986 NA MeJP NA NA +MJ097502 Xestovanin A; 4''-O-?-L-Rhamnopyranoside C48H78O16 910.528986 NA MeJP NA NA +PJ076854 TLKKKMY C42H74N10O10S 910.531 NA PeJP NA NA +PJ076855 ATLLLLMH C42H74N10O10S 910.5311 NA PeJP NA NA +PJ076856 PLLKFFF C50H70N8O8 910.5317 NA PeJP NA NA +PJ076857 GPNRRRR C35H66N20O9 910.5322 NA PeJP NA NA +MJ097503 Cephalostatin 16 C54H74N2O10 910.534346 NA MeJP NA NA +MJ097504 Cephalostatin 2; 26-Deoxy C54H74N2O10 910.534346 NA MeJP NA NA +MJ097505 Cephalostatin 2; 9'-Deoxy C54H74N2O10 910.534346 NA MeJP NA NA +PJ076858 PLLQERR C39H70N14O11 910.5349 NA PeJP NA NA +PJ076859 LLLKMFF C47H74N8O8S 910.5351 NA PeJP NA NA +PJ076860 PVVLLLEE C43H74N8O13 910.5376 NA PeJP NA NA +PJ076861 PVLLQRW C44H70N12O9 910.5389 NA PeJP NA NA +PJ076862 GPPLLKMR C41H74N12O9S 910.5423 NA PeJP NA NA +C11242 Bacterio-chlorophyll a C55H74MgN4O6 910.5459 NA KEGG NA NA +PJ076863 PVVERRR C38H70N16O10 910.5461 NA PeJP NA NA +PJ076864 TTTLLLLH C42H74N10O12 910.5488 NA PeJP NA NA +PJ076865 APLLRRW C43H70N14O8 910.5502 NA PeJP NA NA +PJ076866 VLLLKYY C47H74N8O10 910.5528 NA PeJP NA NA +PJ076867 VLKKMHR C40H74N14O8S 910.5535 NA PeJP NA NA +HMDB09821 PI(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C49H83O13P 910.557129 NA HMDB2010 NA NA +HMDB09861 PI(18:3(6Z,9Z,12Z)/22:3(10Z,13Z,16Z)) C49H83O13P 910.557129 NA HMDB2010 NA NA +HMDB09865 PI(18:3(9Z,12Z,15Z)/22:3(10Z,13Z,16Z)) C49H83O13P 910.557129 NA HMDB2010 NA NA +HMDB09884 PI(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) C49H83O13P 910.557129 NA HMDB2010 NA NA +HMDB09885 PI(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)) C49H83O13P 910.557129 NA HMDB2010 NA NA +HMDB09891 PI(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)) C49H83O13P 910.557129 NA HMDB2010 NA NA +HMDB09892 PI(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) C49H83O13P 910.557129 NA HMDB2010 NA NA +HMDB09910 PI(22:3(10Z,13Z,16Z)/18:3(6Z,9Z,12Z)) C49H83O13P 910.557129 NA HMDB2010 NA NA +HMDB09911 PI(22:3(10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) C49H83O13P 910.557129 NA HMDB2010 NA NA +HMDB09920 PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) C49H83O13P 910.557129 NA HMDB2010 NA NA +PJ076868 APQKRRR C37H70N18O9 910.5574 NA PeJP NA NA +PJ076869 SPPTLLKR C41H74N12O11 910.56 NA PeJP NA NA +PJ076870 GPVLLKER C41H74N12O11 910.5601 NA PeJP NA NA +PJ076871 AAPLLLKW C46H74N10O9 910.5641 NA PeJP NA NA +PJ076872 PPVVLKKM C43H78N10O9S 910.5674 NA PeJP NA NA +MJ097506 Ritterazine Z C55H78N2O9 910.570732 NA MeJP NA NA +PJ076873 PLLKERR C40H74N14O10 910.5713 NA PeJP NA NA +PJ076874 PTLLLLLE C44H78N8O12 910.574 NA PeJP NA NA +PJ076875 PVLLKRW C45H74N12O8 910.5753 NA PeJP NA NA +MJ097507 Chimeramycin A C48H82N2O14 910.576605 NA MeJP NA NA +PJ076876 PTLLRRR C39H74N16O9 910.5825 NA PeJP NA NA +MJ097508 Antibiotic LI-F; Antibiotic LI-F05B C43H78N10O11 910.585153 NA MeJP NA NA +MJ097509 Antibiotic LI-F; Antibiotic LI-F06B C43H78N10O11 910.585153 NA MeJP NA NA +MJ097510 Antibiotic LI-F; Antibiotic LI-F08A C43H78N10O11 910.585153 NA MeJP NA NA +PJ076877 APLLLKKE C43H78N10O11 910.5852 NA PeJP NA NA +PJ076878 PPVLLLLF C48H78N8O9 910.5892 NA PeJP NA NA +PJ076879 PVLLLLLM C45H82N8O9S 910.5926 NA PeJP NA NA +PJ076880 APKKRRR C38H74N18O8 910.5937 NA PeJP NA NA +PJ076881 APTLLLKR C42H78N12O10 910.5964 NA PeJP NA NA +PJ076882 LLLLQRR C41H78N14O9 910.6077 NA PeJP NA NA +PJ076883 VVLLLLLE C45H82N8O11 910.6104 NA PeJP NA NA +PJ076884 VVLLRRR C40H78N16O8 910.6189 NA PeJP NA NA +PJ076885 SPLLLLKK C44H82N10O10 910.6216 NA PeJP NA NA +PJ076886 GVLLLLKR C43H82N12O9 910.6328 NA PeJP NA NA +PJ076887 LLLLKRR C42H82N14O8 910.644 NA PeJP NA NA +PJ076888 TLLLLLLL C46H86N8O10 910.6467 NA PeJP NA NA +PJ076889 ALLLLLKK C45H86N10O9 910.658 NA PeJP NA NA +C15954 Thermocryptoxanthin-13 C59H90O7 910.6687 NA KEGG NA NA +MJ097511 1,2-Diphytanylglycerol 3-phosphoinositol; D-myo-inositol-form, 3-Hydroxy C49H99O12P 910.687415 NA MeJP NA NA +HMDB05373 TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C59H106O6 910.79895 http://www.hmdb.ca/metabolites/HMDB05373 HMDB NA NA +HMDB05398 TG(18:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso3] C59H106O6 910.79895 http://www.hmdb.ca/metabolites/HMDB05398 HMDB NA NA +HMDB05460 TG(18:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6] C59H106O6 910.79895 http://www.hmdb.ca/metabolites/HMDB05460 HMDB NA NA +HMDB05472 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:0)[iso3] C59H106O6 910.79895 http://www.hmdb.ca/metabolites/HMDB05472 HMDB NA NA +HMDB05373 TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C59H106O6 910.79895 HMDB05373 PFEM_hmdb_metabocards_official NA NA +HMDB05398 TG(18:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso3] C59H106O6 910.79895 HMDB05398 PFEM_hmdb_metabocards_official NA NA +HMDB05460 TG(18:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6] C59H106O6 910.79895 HMDB05460 PFEM_hmdb_metabocards_official NA NA +HMDB05472 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:0)[iso3] C59H106O6 910.79895 HMDB05472 PFEM_hmdb_metabocards_official NA NA +HMDB05373 TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C59H106O6 910.79895 NA HMDB2010 NA NA +HMDB05398 TG(18:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso3] C59H106O6 910.79895 NA HMDB2010 NA NA +HMDB05460 TG(18:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6] C59H106O6 910.79895 NA HMDB2010 NA NA +HMDB05472 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:0)[iso3] C59H106O6 910.79895 NA HMDB2010 NA NA +HMDB10461 TG(18:1(9Z)/18:1(9Z)/20:2(11Z,14Z))[iso3] C59H106O6 910.79895 NA HMDB2010 NA NA +PJ076890 GCCCCCCCD C27H45N9O12S7 911.1233 NA PeJP NA NA +MJ097512 (S)-3-Hydroxy-3-methylglutaryl-CoA C27H44N7O20P3S 911.157467 NA MeJP NA NA +MetaCyc04293 3-hydroxyadipyl-CoA [] C27H44N7O20P3S1 911.157467 NA metacyc NA NA +MetaCyc04294 3-hydroxy-3-methyl-glutaryl-CoA [(S)-3-hydroxy-3-methylglutaryl-CoA;HMG-CoA;hydroxymethylglutaryl-CoA;3-hydroxy-3-methylglutaryl-coenzyme A;3-Hydroxy-3-methylglutaryl-CoA;] C27H44N7O20P3S1 911.157467 1553-55-5 metacyc NA NA +HMDB01375 3-Hydroxy-3-methylglutaryl-CoA C27H44N7O20P3S 911.15747 http://www.hmdb.ca/metabolites/HMDB01375 HMDB NA NA +HMDB01375 3-Hydroxy-3-methylglutaryl-CoA C27H44N7O20P3S 911.15747 HMDB01375 PFEM_hmdb_metabocards_official NA NA +HMDB01375 3-Hydroxy-3-methylglutaryl-CoA C27H44N7O20P3S 911.157471 NA HMDB2010 NA NA +C00356 (S)-3-Hydroxy-3-methylglutaryl-CoA C27H44N7O20P3S 911.1575 NA KEGG NA NA +C14145 (3S)-3-Hydroxyadipyl-CoA C27H44N7O20P3S 911.1575 NA KEGG NA NA +PJ076891 GSCCCCCCM C28H49N9O11S7 911.1597 NA PeJP NA NA +PJ076892 SSTCCCCCC C28H49N9O13S6 911.1774 NA PeJP NA NA +PJ076893 CCCCCCQF C32H49N9O10S6 911.1927 NA PeJP NA NA +PJ076894 CCCCNDDH C30H45N11O14S4 911.2031 NA PeJP NA NA +PJ076895 SCCCCCQY C32H49N9O12S5 911.2105 NA PeJP NA NA +MetaCyc04295 L-carnitinyl-CoA [L-carnityl-CoA;] C28H50N8O18P3S1 911.217662 NA metacyc NA NA +MetaCyc04296 D-carnitinyl-CoA [] C28H50N8O18P3S1 911.217662 NA metacyc NA NA +PJ076896 GSPCCCCCH C31H49N11O11S5 911.2217 NA PeJP NA NA +PJ076897 GSSSCCCCY C32H49N9O14S4 911.2282 NA PeJP NA NA +PJ076898 CCCCCCKF C33H53N9O9S6 911.2291 NA PeJP NA NA +PJ076899 CCNNNDDD C30H45N11O18S2 911.2386 NA PeJP NA NA +PJ076900 SCCCNDMH C31H49N11O13S4 911.2395 NA PeJP NA NA +PJ076901 GCCCCNFY C36H49N9O11S4 911.2435 NA PeJP NA NA +PJ076902 SCNDDDDE C31H45N9O21S 911.2451 NA PeJP NA NA +PJ076903 PCCNDDDM C32H49N9O16S3 911.246 NA PeJP NA NA +PJ076904 SCCCCCKY C33H53N9O11S5 911.2468 NA PeJP NA NA +PJ076905 CCDDMYY C37H49N7O14S3 911.25 NA PeJP NA NA +PJ076906 CCMMMMY C35H57N7O9S6 911.2542 NA PeJP NA NA +PJ076907 GTCCCCHW C35H49N11O10S4 911.2547 NA PeJP NA NA +PJ076908 GSSSCCCEH C31H49N11O15S3 911.2572 NA PeJP NA NA +PJ076909 GCCCQMMH C32H53N11O10S5 911.2581 NA PeJP NA NA +PJ076910 GSCDDDDW C35H45N9O18S 911.2604 NA PeJP NA NA +PJ076911 GPCCCDEW C36H49N9O13S3 911.2612 NA PeJP NA NA +PJ076912 GSSSDDDDD C31H45N9O23 911.2629 NA PeJP NA NA +PJ076913 GNDDDDMM C32H49N9O18S2 911.2637 NA PeJP NA NA +PJ076914 GGGDDDDMM C32H49N9O18S2 911.2638 NA PeJP NA NA +PJ076915 GSPPCCCDM C33H53N9O13S4 911.2646 NA PeJP NA NA +MJ097513 Blumeanine C38H48N4O22(+) 911.268194 NA MeJP NA NA +PJ076916 CCCNNNNQ C30H49N13O14S3 911.2684 NA PeJP NA NA +PJ076917 GGGGCCCNNQ C30H49N13O14S3 911.2685 NA PeJP NA NA +PJ076918 CCDMMFY C38H53N7O11S4 911.2686 NA PeJP NA NA +PJ076919 GCCCCMHR C31H53N13O9S5 911.2693 NA PeJP NA NA +PJ076920 SSSCCCHW C35H49N11O12S3 911.2725 NA PeJP NA NA +PJ076921 GCCDDDER C31H49N11O17S2 911.275 NA PeJP NA NA +PJ076922 SSCCNMMH C32H53N11O12S4 911.2758 NA PeJP NA NA +PJ076923 GGGGPCCCQM C32H53N11O12S4 911.2759 NA PeJP NA NA +PJ076924 PCCCDWW C40H49N9O10S3 911.2765 NA PeJP NA NA +PJ076925 GNDDDDDF C35H45N9O20 911.2781 NA PeJP NA NA +PJ076926 CNDDEMW C36H49N9O15S2 911.279 NA PeJP NA NA +PJ076927 PPTCCCCW C37H53N9O10S4 911.2799 NA PeJP NA NA +PJ076928 SSNDDDEM C32H49N9O20S 911.2815 NA PeJP NA NA +PJ076929 SPCNDDMM C33H53N9O15S3 911.2824 NA PeJP NA NA +PJ076930 GCNDDDHH C33H45N13O16S 911.2828 NA PeJP NA NA +PJ076931 GGGCDDDHH C33H45N13O16S 911.2829 NA PeJP NA NA +PJ076932 CCDDFFY C41H49N7O13S2 911.283 NA PeJP NA NA +PJ076933 CEMMMMH C34H57N9O10S5 911.2832 NA PeJP NA NA +PJ076934 GSSCCNNNN C30H49N13O16S2 911.2862 NA PeJP NA NA +PJ076935 SCDMMYY C38H53N7O13S3 911.2864 NA PeJP NA NA +PJ076936 STCCCCHR C31H53N13O11S4 911.2871 NA PeJP NA NA +PJ076937 CCMMMFF C39H57N7O8S5 911.2873 NA PeJP NA NA +PJ076938 CCCNHFW C39H49N11O9S3 911.2877 NA PeJP NA NA +PJ076939 DEEEEMM C34H53N7O18S2 911.2889 NA PeJP NA NA +PJ076940 CCDDDRW C35H49N11O14S2 911.2902 NA PeJP NA NA +PJ076941 SSCDDDDR C31H49N11O19S 911.2927 NA PeJP NA NA +PJ076942 SPCCCDER C32H53N11O14S3 911.2936 NA PeJP NA NA +PJ076943 ACCDEWW C40H49N9O12S2 911.2942 NA PeJP NA NA +PJ076944 GCDDMWW C40H49N9O12S2 911.2943 NA PeJP NA NA +PJ076945 PPCCCCMR C33H57N11O9S5 911.2945 NA PeJP NA NA +PJ076946 ASSCDDEW C36H49N9O17S 911.2967 NA PeJP NA NA +PJ076947 GSSDDDMW C36H49N9O17S 911.2968 NA PeJP NA NA +PJ076948 GSPCCEMW C37H53N9O12S3 911.2976 NA PeJP NA NA +PJ076949 ASSSSDDDE C32H49N9O22 911.2992 NA PeJP NA NA +PJ076950 GSSSSDDEE C32H49N9O22 911.2993 NA PeJP NA NA +PJ076951 GSNDEEMM C33H53N9O17S2 911.3001 NA PeJP NA NA +PJ076952 GCDEYYY C41H49N7O15S 911.3008 NA PeJP NA NA +PJ076953 GPCNEMMM C34H57N9O12S4 911.301 NA PeJP NA NA +PJ076954 SPCCNDHH C34H49N13O13S2 911.3015 NA PeJP NA NA +PJ076955 CCDMFFF C42H53N7O10S3 911.3016 NA PeJP NA NA +PJ076956 DDEEEEF C37H49N7O20 911.3033 NA PeJP NA NA +PJ076957 GCCNNDMR C31H53N13O13S3 911.3048 NA PeJP NA NA +PJ076958 GGGGGCCDMR C31H53N13O13S3 911.3049 NA PeJP NA NA +PJ076959 ACMMMYY C39H57N7O10S4 911.305 NA PeJP NA NA +PJ076960 SCCNNWW C39H49N11O11S2 911.3055 NA PeJP NA NA +PJ076961 SSSCNNDW C35H49N11O16S 911.308 NA PeJP NA NA +PJ076962 CNNNMMW C36H53N11O11S3 911.3088 NA PeJP NA NA +PJ076963 GGCNNMMW C36H53N11O11S3 911.3089 NA PeJP NA NA +PJ076964 CCEWWW C44H49N9O9S2 911.3095 NA PeJP NA NA +PJ076965 SSSSSNNDD C31H49N11O21 911.3105 NA PeJP NA NA +PJ076966 SSSSSSCMH C32H53N11O16S2 911.3113 NA PeJP NA NA +PJ076967 GSCDDEMR C32H53N11O16S2 911.3114 NA PeJP NA NA +PJ076968 SSCDEWW C40H49N9O14S 911.312 NA PeJP NA NA +PJ076969 GPCCDMMR C33H57N11O11S4 911.3122 NA PeJP NA NA +PJ076970 GCCNNQHH C33H49N15O12S2 911.3127 NA PeJP NA NA +PJ076971 SPCCMWW C41H53N9O9S3 911.3129 NA PeJP NA NA +PJ076972 SSSSDDEW C36H49N9O19 911.3145 NA PeJP NA NA +PJ076973 SNDEMMW C37H53N9O14S2 911.3154 NA PeJP NA NA +PJ076974 CDYYYW C45H49N7O12S 911.316 NA PeJP NA NA +PJ076975 PCNMMMW C38H57N9O9S4 911.3162 NA PeJP NA NA +PJ076976 GGPCMMMW C38H57N9O9S4 911.3163 NA PeJP NA NA +PJ076977 CCEHHHF C38H49N13O10S2 911.3167 NA PeJP NA NA +PJ076978 SSSNEEEM C33H53N9O19S 911.3179 NA PeJP NA NA +PJ076979 SSDDYYY C41H49N7O17 911.3185 NA PeJP NA NA +PJ076980 NQEEMMM C34H57N9O14S3 911.3187 NA PeJP NA NA +PJ076981 GGQEEMMM C34H57N9O14S3 911.3188 NA PeJP NA NA +PJ076982 GCNNNNNY C34H49N13O15S 911.3192 NA PeJP NA NA +PJ076983 GGGGGGGGGGGCY C34H49N13O15S 911.3193 NA PeJP NA NA +PJ076984 PTCCYYY C42H53N7O12S2 911.3194 NA PeJP NA NA +PJ076985 TMMMMMH C35H61N9O9S5 911.3196 NA PeJP NA NA +PJ076986 CCCNQRW C35H53N13O10S3 911.3201 NA PeJP NA NA +MJ097514 Microsclerodermin C C41H50ClN9O13 911.32166 NA MeJP NA NA +PJ076987 PDEEEMY C38H53N7O17S 911.3219 NA PeJP NA NA +PJ076988 SSCCNNER C31H53N13O15S2 911.3226 NA PeJP NA NA +PJ076989 SSMMMYY C39H57N7O12S3 911.3228 NA PeJP NA NA +PJ076990 CNNNDFW C39H49N11O13S 911.3232 NA PeJP NA NA +PJ076991 GGGGCNDFW C39H49N11O13S 911.3233 NA PeJP NA NA +PJ076992 NDDDDRY C35H49N11O18 911.3257 NA PeJP NA NA +PJ076993 GGDDDDRY C35H49N11O18 911.3258 NA PeJP NA NA +PJ076994 SCDDMRW C36H53N11O13S2 911.3266 NA PeJP NA NA +PJ076995 DDDHHHH C36H45N15O14 911.3271 NA PeJP NA NA +PJ076996 SSSDDDMR C32H53N11O18S 911.3291 NA PeJP NA NA +PJ076997 GNDEEYW C40H49N9O16 911.3298 NA PeJP NA NA +PJ076998 NDDMMMR C33H57N11O13S3 911.33 NA PeJP NA NA +PJ076999 SSCNNNHH C33H49N15O14S 911.3304 NA PeJP NA NA +PJ077000 GGSSCNNHH C33H49N15O14S 911.3305 NA PeJP NA NA +PJ077001 GSDMMWW C41H53N9O11S2 911.3306 NA PeJP NA NA +PJ077002 GPCCCHHR C34H53N15O9S3 911.3313 NA PeJP NA NA +PJ077003 GSSSEEMW C37H53N9O16S 911.3331 NA PeJP NA NA +PJ077004 GGGGEEEMF C37H53N9O16S 911.3332 NA PeJP NA NA +PJ077005 GQEMMMW C38H57N9O11S3 911.334 NA PeJP NA NA +PJ077006 SCNEHHW C38H49N13O12S 911.3345 NA PeJP NA NA +PJ077007 CMFYYW C46H53N7O9S2 911.3346 NA PeJP NA NA +PJ077008 GSSSSTEEE C33H53N9O21 911.3356 NA PeJP NA NA +PJ077009 GSTQEEMM C34H57N9O16S2 911.3365 NA PeJP NA NA +PJ077010 SSSNDEHH C34H49N13O17 911.337 NA PeJP NA NA +PJ077011 GSEMYYY C42H53N7O14S 911.3371 NA PeJP NA NA +PJ077012 GSPQMMMM C35H61N9O11S4 911.3374 NA PeJP NA NA +PJ077013 GSSCCNRW C35H53N13O12S2 911.3378 NA PeJP NA NA +PJ077014 GGGSSCCRW C35H53N13O12S2 911.3379 NA PeJP NA NA +PJ077015 ACMMFFY C43H57N7O9S3 911.338 NA PeJP NA NA +PJ077016 VDEEEEY C38H53N7O19 911.3397 NA PeJP NA NA +PJ077017 GSSSSCNDR C31H53N13O17S 911.3403 NA PeJP NA NA +PJ077018 GGGSSSSCDR C31H53N13O17S 911.3404 NA PeJP NA NA +PJ077019 PEEEMMF C39H57N7O14S2 911.3405 NA PeJP NA NA +PJ077020 SNNNDYW C39H49N11O15 911.341 NA PeJP NA NA +PJ077021 CCDEMRR C32H57N13O12S3 911.3412 NA PeJP NA NA +PJ077022 CNNMHFF C40H53N11O10S2 911.3419 NA PeJP NA NA +PJ077023 LEEEMMM C36H61N7O14S3 911.3439 NA PeJP NA NA +PJ077024 CNQQQEY C36H53N11O15S 911.3443 NA PeJP NA NA +PJ077025 SSSSNNMW C36H53N11O15S 911.3444 NA PeJP NA NA +PJ077026 NDEYWW C44H49N9O13 911.345 NA PeJP NA NA +PJ077027 GCEMMRW C37H57N11O10S3 911.3452 NA PeJP NA NA +PJ077028 GGGACCKMW C37H57N11O10S3 911.3453 NA PeJP NA NA +PJ077029 TCMWWW C45H53N9O8S2 911.3459 NA PeJP NA NA +PJ077030 SSSSSSNQE C32H53N11O20 911.3468 NA PeJP NA NA +PJ077031 GGSSSSSSQE C32H53N11O20 911.3469 NA PeJP NA NA +PJ077032 GSSDEMMR C33H57N11O15S2 911.3477 NA PeJP NA NA +PJ077033 GGGGGGSTTMM C33H57N11O15S2 911.3478 NA PeJP NA NA +PJ077034 GNNNNNEH C33H49N15O16 911.3482 NA PeJP NA NA +PJ077035 SSSEMWW C41H53N9O13S 911.3484 NA PeJP NA NA +PJ077036 GSPCMMMR C34H61N11O10S4 911.3486 NA PeJP NA NA +PJ077037 CNDMHHR C34H53N15O11S2 911.3491 NA PeJP NA NA +PJ077038 QMMMWW C42H57N9O8S3 911.3493 NA PeJP NA NA +PJ077039 GSCHHWW C42H49N13O9S 911.3497 NA PeJP NA NA +PJ077040 SSSSTEEW C37H53N9O18 911.3509 NA PeJP NA NA +PJ077041 STQEMMW C38H57N9O13S2 911.3518 NA PeJP NA NA +PJ077042 GSSSDHHW C38H49N13O14 911.3522 NA PeJP NA NA +PJ077043 GGGGDEHHF C38H49N13O14 911.3523 NA PeJP NA NA +PJ077044 SMYYYW C46H53N7O11S 911.3524 NA PeJP NA NA +PJ077045 GSCCCQRR C31H57N15O11S3 911.3525 NA PeJP NA NA +PJ077046 CLMMMHF C39H61N9O8S4 911.3526 NA PeJP NA NA +PJ077047 GNMMHHW C39H53N13O9S2 911.3531 NA PeJP NA NA +PJ077048 STTTDQEM C34H57N9O18S 911.3542 NA PeJP NA NA +PJ077049 SSSDKEEM C34H57N9O18S 911.3543 NA PeJP NA NA +PJ077050 SSTEYYY C42H53N7O16 911.3549 NA PeJP NA NA +PJ077051 NKEEMMM C35H61N9O13S3 911.3551 NA PeJP NA NA +PJ077052 CNNNERY C35H53N13O14S 911.3556 NA PeJP NA NA +PJ077053 AAMMYYY C43H57N7O11S2 911.3558 NA PeJP NA NA +PJ077054 GPDDHWW C43H49N11O12 911.3563 NA PeJP NA NA +PJ077055 CCCNKRW C36H57N13O9S3 911.3565 NA PeJP NA NA +PJ077056 CNQHHHH C36H49N17O10S 911.3569 NA PeJP NA NA +PJ077057 GGCQHHHH C36H49N17O10S 911.357 NA PeJP NA NA +MJ097515 Altromycin A C46H57NO18 911.357564 NA MeJP NA NA +PJ077058 VEEEEMF C39H57N7O16S 911.3583 NA PeJP NA NA +PJ077059 SSSCNQMR C32H57N13O14S2 911.359 NA PeJP NA NA +PJ077060 GNNQMYW C40H53N11O12S 911.3596 NA PeJP NA NA +PJ077061 GGGGGGGPCFF C40H53N11O12S 911.3597 NA PeJP NA NA +PJ077062 GDYWWW C48H49N9O10 911.3603 NA PeJP NA NA +PJ077063 CMMRWW C41H57N11O7S3 911.3605 NA PeJP NA NA +PJ077064 GSSSSSSQW C36H53N11O17 911.3621 NA PeJP NA NA +PJ077065 GGGGGSPPPDD C36H53N11O17 911.3622 NA PeJP NA NA +PJ077066 SSDMMRW C37H57N11O12S2 911.363 NA PeJP NA NA +PJ077067 NNNNNHW C37H49N15O13 911.3635 NA PeJP NA NA +PJ077068 GPTCYWW C45H53N9O10S 911.3636 NA PeJP NA NA +PJ077069 GGEMFWW C45H53N9O10S 911.3637 NA PeJP NA NA +PJ077070 ACCHHRW C38H53N15O8S2 911.3643 NA PeJP NA NA +PJ077071 SSSSEEMR C33H57N11O17S 911.3655 NA PeJP NA NA +PJ077072 GTQEEYW C41H53N9O15 911.3661 NA PeJP NA NA +PJ077073 GGATEEYW C41H53N9O15 911.3662 NA PeJP NA NA +PJ077074 SQEMMMR C34H61N11O12S3 911.3664 NA PeJP NA NA +PJ077075 GSSCEHHR C34H53N15O13S 911.3668 NA PeJP NA NA +PJ077076 GGGPCNDHR C34H53N15O13S 911.3669 NA PeJP NA NA +PJ077077 GTTMMWW C42H57N9O10S2 911.367 NA PeJP NA NA +PJ077078 GNDHHFW C42H49N13O11 911.3675 NA PeJP NA NA +PJ077079 CFFFYW C50H53N7O8S 911.3677 NA PeJP NA NA +PJ077080 GSTTTEMW C38H57N9O15S 911.3695 NA PeJP NA NA +PJ077081 GSPYYYY C46H53N7O13 911.3702 NA PeJP NA NA +PJ077082 GKEMMMW C39H61N9O10S3 911.3704 NA PeJP NA NA +PJ077083 SSQMHHW C39H53N13O11S 911.3708 NA PeJP NA NA +PJ077084 GCNNRYW C39H53N13O11S 911.3709 NA PeJP NA NA +PJ077085 ACMFFFF C47H57N7O8S2 911.371 NA PeJP NA NA +PJ077086 SSSSSSLEE C34H57N9O20 911.372 NA PeJP NA NA +PJ077087 GSTKEEMM C35H61N9O15S2 911.3729 NA PeJP NA NA +PJ077088 SSSSSSPHH C35H53N13O16 911.3733 NA PeJP NA NA +PJ077089 GSSNNDRY C35H53N13O16 911.3734 NA PeJP NA NA +PJ077090 ATTMYYY C43H57N7O13S 911.3735 NA PeJP NA NA +PJ077091 GSPKMMMM C36H65N9O10S4 911.3738 NA PeJP NA NA +PJ077092 PCCDRRY C36H57N13O11S2 911.3742 NA PeJP NA NA +PJ077093 GGGGGACMFR C36H57N13O11S2 911.3743 NA PeJP NA NA +PJ077094 GSSNHHHH C36H49N17O12 911.3747 NA PeJP NA NA +PJ077095 CDFRWW C44H53N11O9S 911.3749 NA PeJP NA NA +PJ077096 TLEEEEY C39H57N7O18 911.376 NA PeJP NA NA +PJ077097 GSSSSSNMR C32H57N13O16S 911.3767 NA PeJP NA NA +PJ077098 PLEEMMY C40H61N7O13S2 911.3769 NA PeJP NA NA +PJ077099 GSDERYW C40H53N11O14 911.3774 NA PeJP NA NA +PJ077100 SCEMMRR C33H61N13O11S3 911.3776 NA PeJP NA NA +PJ077101 PTCCFRW C41H57N11O9S2 911.3782 NA PeJP NA NA +PJ077102 GPCMRYW C41H57N11O9S2 911.3783 NA PeJP NA NA +PJ077103 GMFWWW C49H53N9O7S 911.3789 NA PeJP NA NA +PJ077104 SSSSCQKW C37H57N11O14S 911.3807 NA PeJP NA NA +PJ077105 GGSSSTCKW C37H57N11O14S 911.3808 NA PeJP NA NA +PJ077106 TQEYWW C45H53N9O12 911.3814 NA PeJP NA NA +PJ077107 GTMMMRW C38H61N11O9S3 911.3816 NA PeJP NA NA +PJ077108 SSCHHRW C38H53N15O10S 911.3821 NA PeJP NA NA +PJ077109 SSSSSSNKE C33H57N11O19 911.3832 NA PeJP NA NA +PJ077110 GGSSSSSSKE C33H57N11O19 911.3833 NA PeJP NA NA +PJ077111 GSTTEMMR C34H61N11O14S2 911.3841 NA PeJP NA NA +PJ077112 SSSSDHHR C34H53N15O15 911.3846 NA PeJP NA NA +PJ077113 STTTMWW C42H57N9O12S 911.3848 NA PeJP NA NA +PJ077114 VNMMMMR C35H65N11O9S4 911.385 NA PeJP NA NA +PJ077115 AFYYYW C50H53N7O10 911.3854 NA PeJP NA NA +PJ077116 CCNNFRR C35H57N15O10S2 911.3855 NA PeJP NA NA +PJ077117 KMMMWW C43H61N9O7S3 911.3856 NA PeJP NA NA +PJ077118 GMHHHFF C43H53N13O8S 911.3861 NA PeJP NA NA +PJ077119 SSTTTTEW C38H57N9O17 911.3873 NA PeJP NA NA +PJ077120 STKEMMW C39H61N9O12S2 911.3881 NA PeJP NA NA +PJ077121 GGPKEMMY C39H61N9O12S2 911.3882 NA PeJP NA NA +PJ077122 SPDDHRW C39H53N13O13 911.3886 NA PeJP NA NA +PJ077123 GGGGGGGGGPPW C39H53N13O13 911.3887 NA PeJP NA NA +PJ077124 AAMFFYY C47H57N7O10S 911.3888 NA PeJP NA NA +PJ077125 ACKMHHW C40H57N13O8S2 911.3895 NA PeJP NA NA +PJ077126 SSTTKEEM C35H61N9O17S 911.3906 NA PeJP NA NA +PJ077127 TTTTYYY C43H57N7O15 911.3913 NA PeJP NA NA +PJ077128 DKKEMMM C36H65N9O12S3 911.3915 NA PeJP NA NA +PJ077129 GDDMRRY C36H57N13O13S 911.392 NA PeJP NA NA +PJ077130 SDRYWW C44H53N11O11 911.3926 NA PeJP NA NA +PJ077131 GGGGGQFFW C44H53N11O11 911.3927 NA PeJP NA NA +PJ077132 PCCMFRR C37H61N13O8S3 911.3929 NA PeJP NA NA +PJ077133 CNKHHHH C37H53N17O9S 911.3933 NA PeJP NA NA +PJ077134 SSSSSSSQR C32H57N13O18 911.3945 NA PeJP NA NA +PJ077135 VLEEEMY C40H61N7O15S 911.3947 NA PeJP NA NA +PJ077136 SSSCNKMR C33H61N13O13S2 911.3954 NA PeJP NA NA +PJ077137 GSNNNNHR C33H53N17O14 911.3958 NA PeJP NA NA +PJ077138 GGGGGGGSNHR C33H53N17O14 911.3959 NA PeJP NA NA +PJ077139 QEMRYW C41H57N11O11S 911.396 NA PeJP NA NA +PJ077140 GMMMMRR C34H65N13O8S4 911.3962 NA PeJP NA NA +PJ077141 ATYWWW C49H53N9O9 911.3967 NA PeJP NA NA +PJ077142 GSSSSSSKW C37H57N11O16 911.3985 NA PeJP NA NA +PJ077143 STTMMRW C38H61N11O11S2 911.3994 NA PeJP NA NA +PJ077144 ANNDHRW C38H53N15O12 911.3998 NA PeJP NA NA +PJ077145 GNNEHRW C38H53N15O12 911.3999 NA PeJP NA NA +PJ077146 VQMYWW C46H57N9O9S 911.4 NA PeJP NA NA +PJ077147 AHHHHHH C39H49N19O8 911.4012 NA PeJP NA NA +PJ077148 SSTTTEMR C34H61N11O16S 911.4019 NA PeJP NA NA +PJ077149 GTKEEYW C42H57N9O14 911.4025 NA PeJP NA NA +PJ077150 GGGVVDDFF C42H57N9O14 911.4026 NA PeJP NA NA +PJ077151 SKEMMMR C35H65N11O11S3 911.4027 NA PeJP NA NA +PJ077152 TDKMMMR C35H65N11O11S3 911.4028 NA PeJP NA NA +PJ077153 SCNNRRY C35H57N15O12S 911.4032 NA PeJP NA NA +PJ077154 GPKMMYW C43H61N9O9S2 911.4034 NA PeJP NA NA +PJ077155 QQQHWW C43H53N13O10 911.4039 NA PeJP NA NA +PJ077156 SSSTTLMW C39H61N9O14S 911.4059 NA PeJP NA NA +PJ077157 LQYYYY C47H57N7O12 911.4065 NA PeJP NA NA +PJ077158 PPPEFYY C47H57N7O12 911.4066 NA PeJP NA NA +PJ077159 SVKMMMW C40H65N9O9S3 911.4068 NA PeJP NA NA +PJ077160 CERRYW C40H57N13O10S 911.4072 NA PeJP NA NA +PJ077161 GPEMHRW C40H57N13O10S 911.4073 NA PeJP NA NA +PJ077162 PTHWWW C48H53N11O8 911.4079 NA PeJP NA NA +PJ077163 SSSSTTTLE C35H61N9O19 911.4084 NA PeJP NA NA +PJ077164 SSSLKEMM C36H65N9O14S2 911.4093 NA PeJP NA NA +PJ077165 SSDERRY C36H57N13O15 911.4097 NA PeJP NA NA +PJ077166 GGGGGSTTRY C36H57N13O15 911.4098 NA PeJP NA NA +PJ077167 PPLEMYY C44H61N7O12S 911.4099 NA PeJP NA NA +PJ077168 LQKMMMM C37H69N9O9S4 911.4101 NA PeJP NA NA +PJ077169 GALKMMMM C37H69N9O9S4 911.4102 NA PeJP NA NA +PJ077170 SPCMRRY C37H61N13O10S2 911.4106 NA PeJP NA NA +PJ077171 PNDHHHR C37H53N17O11 911.4111 NA PeJP NA NA +PJ077172 AMRYWW C45H57N11O8S 911.4113 NA PeJP NA NA +PJ077173 GSSSSTCKR C33H61N13O15S 911.4131 NA PeJP NA NA +PJ077174 LLEEMMF C41H65N7O12S2 911.4133 NA PeJP NA NA +PJ077175 GTTERYW C41H57N11O13 911.4138 NA PeJP NA NA +PJ077176 STMMMRR C34H65N13O10S3 911.414 NA PeJP NA NA +PJ077177 AAMMFRW C42H61N11O8S2 911.4146 NA PeJP NA NA +PJ077178 NNHRWW C42H53N15O9 911.4151 NA PeJP NA NA +PJ077179 SSSSCKKW C38H61N11O13S 911.4171 NA PeJP NA NA +PJ077180 GGGGDKKMY C38H61N11O13S 911.4172 NA PeJP NA NA +PJ077181 TKEYWW C46H57N9O11 911.4178 NA PeJP NA NA +PJ077182 PCKMMFR C39H65N11O8S3 911.418 NA PeJP NA NA +PJ077183 GQMHHFR C39H57N15O9S 911.4185 NA PeJP NA NA +PJ077184 SSSSSSDKK C34H61N11O18 911.4196 NA PeJP NA NA +PJ077185 SSSTLMMR C35H65N11O13S2 911.4205 NA PeJP NA NA +PJ077186 GEEEHRR C35H57N15O14 911.421 NA PeJP NA NA +PJ077187 SPTKMYW C43H61N9O11S 911.4211 NA PeJP NA NA +PJ077188 GVKEMYW C43H61N9O11S 911.4212 NA PeJP NA NA +PJ077189 CLKMMMR C36H69N11O8S4 911.4214 NA PeJP NA NA +PJ077190 AAFFFFY C51H57N7O9 911.4218 NA PeJP NA NA +PJ077191 TCKMHHR C36H61N15O9S2 911.4219 NA PeJP NA NA +PJ077192 PMHRWW C44H57N13O7S 911.4225 NA PeJP NA NA +PJ077193 TTTTTTTW C39H61N9O16 911.4236 NA PeJP NA NA +PJ077194 SKKEEEY C39H61N9O16 911.4237 NA PeJP NA NA +PJ077195 PDKKMMY C40H65N9O11S2 911.4245 NA PeJP NA NA +PJ077196 GVEEHRW C40H57N13O12 911.425 NA PeJP NA NA +PJ077197 TTTTTKEM C36H65N9O16S 911.427 NA PeJP NA NA +PJ077198 PVLEEYY C44H61N7O14 911.4277 NA PeJP NA NA +PJ077199 GTTLKMMM C37H69N9O11S3 911.4279 NA PeJP NA NA +PJ077200 GTEMRRY C37H61N13O12S 911.4284 NA PeJP NA NA +PJ077201 TTRYWW C45H57N11O10 911.429 NA PeJP NA NA +PJ077202 GCHHFRR C38H57N17O8S 911.4297 NA PeJP NA NA +PJ077203 SSSSSSSKR C33H61N13O17 911.4309 NA PeJP NA NA +8143 peptide derived from wheat gluten LQPGQGQQG 911.431 stimulating Inhouse_peptide NA peptide +PJ077204 SSTCCKKR C34H65N13O12S2 911.4317 NA PeJP NA NA +PJ077205 SNNEHRR C34H57N17O13 911.4322 NA PeJP NA NA +PJ077206 KEMRYW C42H61N11O10S 911.4324 NA PeJP NA NA +PJ077207 VQFFWW C50H57N9O8 911.433 NA PeJP NA NA +PJ077208 GGLFFWW C50H57N9O8 911.4331 NA PeJP NA NA +PJ077209 STKEERY C38H61N11O15 911.4349 NA PeJP NA NA +PJ077210 SPKMMRY C39H65N11O10S2 911.4358 NA PeJP NA NA +PJ077211 EEHRRW C39H57N15O11 911.4362 NA PeJP NA NA +PJ077212 GGGDKHRW C39H57N15O11 911.4363 NA PeJP NA NA +PJ077213 VKMYWW C47H61N9O8S 911.4364 NA PeJP NA NA +PJ077214 TTTTTTMR C35H65N11O15S 911.4383 NA PeJP NA NA +PJ077215 SSLKEYW C43H61N9O13 911.4389 NA PeJP NA NA +PJ077216 GSCKKKMM C36H69N11O10S3 911.4391 NA PeJP NA NA +PJ077217 SPEMHRR C36H61N15O11S 911.4396 NA PeJP NA NA +PJ077218 GLKMMFW C44H65N9O8S2 911.4398 NA PeJP NA NA +PJ077219 VEHRWW C44H57N13O9 911.4403 NA PeJP NA NA +PJ077220 VDKKEMY C40H65N9O13S 911.4423 NA PeJP NA NA +PJ077221 LKYYYY C48H61N7O11 911.4429 NA PeJP NA NA +PJ077222 PKKMMMF C41H69N9O8S3 911.4432 NA PeJP NA NA +PJ077223 TMRRYW C41H61N13O9S 911.4436 NA PeJP NA NA +PJ077224 VVHWWW C49H57N11O7 911.4443 NA PeJP NA NA +PJ077225 SSTTTTTTL C36H65N9O18 911.4448 NA PeJP NA NA +PJ077226 STTTLKMM C37H69N9O13S2 911.4456 NA PeJP NA NA +PJ077227 STTERRY C37H61N13O14 911.4461 NA PeJP NA NA +PJ077228 GGGGSPPVER C37H61N13O14 911.4462 NA PeJP NA NA +PJ077229 PLLEMFY C45H65N7O11S 911.4463 NA PeJP NA NA +PJ077230 LKKMMMM C38H73N9O8S4 911.4465 NA PeJP NA NA +PJ077231 GVMMRRY C38H65N13O9S2 911.447 NA PeJP NA NA +PJ077232 GSNHRRW C38H57N17O10 911.4475 NA PeJP NA NA +PJ077233 LLLEMMY C42H69N7O11S2 911.4497 NA PeJP NA NA +PJ077234 SSTLRYW C42H61N11O12 911.4501 NA PeJP NA NA +PJ077235 GGSSKKYW C42H61N11O12 911.4502 NA PeJP NA NA +PJ077236 GQQMHRR C35H61N17O10S 911.4508 NA PeJP NA NA +PJ077237 GGAQMHRR C35H61N17O10S 911.4509 NA PeJP NA NA +PJ077238 APKHHHW C43H57N15O8 911.4515 NA PeJP NA NA +MJ097516 Albopeptin A C39H65N11O12S 911.453487 NA MeJP NA NA +PJ077239 SVKEMRY C39H65N11O12S 911.4535 NA PeJP NA NA +PJ077240 GGGGGGPPLLM C39H65N11O12S 911.4536 NA PeJP NA NA +PJ077241 PPVVEWW C47H61N9O10 911.4542 NA PeJP NA NA +PJ077242 PPCHFRR C40H61N15O8S 911.4549 NA PeJP NA NA +PJ077243 SSSSSTTKK C35H65N11O17 911.456 NA PeJP NA NA +PJ077244 SSTCKKKM C36H69N11O12S2 911.4569 NA PeJP NA NA +PJ077245 SVEEHRR C36H61N15O13 911.4574 NA PeJP NA NA +PJ077246 ATLKMYW C44H65N9O10S 911.4575 NA PeJP NA NA +PJ077247 APPPTLMW C44H65N9O10S 911.4576 NA PeJP NA NA +PJ077248 MMRRRY C37H65N15O8S2 911.4582 NA PeJP NA NA +PJ077249 GTTTLKEY C40H65N9O15 911.46 NA PeJP NA NA +PJ077250 APPLKEEE C40H65N9O15 911.4601 NA PeJP NA NA +PJ077251 VLQKMMY C41H69N9O10S2 911.4609 NA PeJP NA NA +PJ077252 ATLEHRW C41H61N13O11 911.4614 NA PeJP NA NA +PJ077253 GCQHRRR C34H61N19O9S 911.4621 NA PeJP NA NA +PJ077254 VLLEEFY C45H65N7O13 911.4641 NA PeJP NA NA +PJ077255 SCQKKRY C38H65N13O11S 911.4647 NA PeJP NA NA +PJ077256 SSLMRRY C38H65N13O11S 911.4648 NA PeJP NA NA +PJ077257 GTLLHWW C46H61N11O9 911.4654 NA PeJP NA NA +PJ077258 SNDKHRR C35H61N17O12 911.4686 NA PeJP NA NA +PJ077259 GCKKKYW C43H65N11O9S 911.4688 NA PeJP NA NA +PJ077260 VKFFWW C51H61N9O7 911.4694 NA PeJP NA NA +PJ077261 SSSSLLRY C39H65N11O14 911.4713 NA PeJP NA NA +PJ077262 ALKMMRY C40H69N11O9S2 911.4721 NA PeJP NA NA +PJ077263 APPPLMMR C40H69N11O9S2 911.4722 NA PeJP NA NA +PJ077264 SPPNRRW C40H61N15O10 911.4726 NA PeJP NA NA +PJ077265 TTTLKYW C44H65N9O12 911.4753 NA PeJP NA NA +PJ077266 ALEMHRR C37H65N15O10S 911.476 NA PeJP NA NA +PJ077267 QKKHWW C45H61N13O8 911.4766 NA PeJP NA NA +PJ077268 GAKKHWW C45H61N13O8 911.4767 NA PeJP NA NA +PJ077269 TLKKEMY C41H69N9O12S 911.4787 NA PeJP NA NA +PJ077270 PPLLFYY C49H65N7O10 911.4793 NA PeJP NA NA +PJ077271 SSNHRRR C34H61N19O11 911.4798 NA PeJP NA NA +PJ077272 GLLMHRW C42H65N13O8S 911.48 NA PeJP NA NA +PJ077273 GSSSKKRY C38H65N13O13 911.4825 NA PeJP NA NA +PJ077274 GGGGGGGGPVLK C38H65N13O13 911.4826 NA PeJP NA NA +PJ077275 PLLLMYY C46H69N7O10S 911.4827 NA PeJP NA NA +PJ077276 CCKKKFR C39H69N13O8S2 911.4834 NA PeJP NA NA +PJ077277 PTKHHHR C39H61N17O9 911.4839 NA PeJP NA NA +PJ077278 SLLKEHW C43H65N11O11 911.4865 NA PeJP NA NA +PJ077279 AAPPDKKW C43H65N11O11 911.4866 NA PeJP NA NA +PJ077280 PPCQRRR C36H65N17O9S 911.4872 NA PeJP NA NA +PJ077281 TTLKMRY C40H69N11O11S 911.4899 NA PeJP NA NA +PJ077282 PPTLLWW C48H65N9O9 911.4906 NA PeJP NA NA +PJ077283 MFFRRR C41H65N15O7S 911.4913 NA PeJP NA NA +PJ077284 TTLEHRR C37H65N15O12 911.4937 NA PeJP NA NA +PJ077285 PVQQERR C37H65N15O12 911.4938 NA PeJP NA NA +PJ077286 GPPVLLMW C45H69N9O9S 911.4939 NA PeJP NA NA +PJ077287 GLHHHRR C38H61N19O8 911.4951 NA PeJP NA NA +PJ077288 SSTTLLKY C41H69N9O14 911.4964 NA PeJP NA NA +PJ077289 GGPVVLLEE C41H69N9O14 911.4965 NA PeJP NA NA +PJ077290 VLKKMMY C42H73N9O9S2 911.4973 NA PeJP NA NA +MJ097517 Saralasin C42H65N13O10 911.497735 NA MeJP NA NA +PJ077291 STLLHRW C42H65N13O10 911.4978 NA PeJP NA NA +PJ077292 GCKHRRR C35H65N19O8S 911.4985 NA PeJP NA NA +MJ097518 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-xylopyranosyl-(1?2)]-?-D-galactopyranoside] C47H76O17(+) 911.500426 NA MeJP NA NA +PJ077293 VLLLEYY C46H69N7O12 911.5005 NA PeJP NA NA +PJ077294 SCKKKRY C39H69N13O10S 911.5011 NA PeJP NA NA +PJ077295 LLDKMHR C39H69N13O10S 911.5012 NA PeJP NA NA +PJ077296 APPKKWW C47H65N11O8 911.5018 NA PeJP NA NA +PJ077297 APQERRR C36H65N17O11 911.505 NA PeJP NA NA +PJ077298 PPLLMRW C44H69N11O8S 911.5052 NA PeJP NA NA +PJ077299 GSTTKKKY C40H69N11O13 911.5077 NA PeJP NA NA +PJ077300 CKKKKMF C41H73N11O8S2 911.5085 NA PeJP NA NA +MJ097519 Candihexin; Candihexin A C43H77NO19 911.508979 NA MeJP NA NA +PJ077301 GPLQRRW C41H65N15O9 911.509 NA PeJP NA NA +PJ077302 AAPLLLEW C45H69N9O11 911.5117 NA PeJP NA NA +PJ077303 SLLMHRR C38H69N15O9S 911.5124 NA PeJP NA NA +PJ077304 KKKHWW C46H65N13O7 911.513 NA PeJP NA NA +PJ077305 PPVVLKEM C42H73N9O11S 911.5151 NA PeJP NA NA +PJ077306 PLLLFFY C50H69N7O9 911.5157 NA PeJP NA NA +PJ077307 GPDRRRR C35H65N19O10 911.5162 NA PeJP NA NA +PJ077308 PLLEERR C39H69N13O12 911.5189 NA PeJP NA NA +PJ077309 LLLLMFY C47H73N7O9S 911.5191 NA PeJP NA NA +PJ077310 VVKHHHR C40H65N17O8 911.5202 NA PeJP NA NA +PJ077311 AAPRRRW C40H65N17O8 911.5203 NA PeJP NA NA +PJ077312 PVLLERW C44H69N11O10 911.5229 NA PeJP NA NA +PJ077313 PPCKRRR C37H69N17O8S 911.5236 NA PeJP NA NA +PJ077314 SKKKKMY C41H73N11O10S 911.5263 NA PeJP NA NA +PJ077315 PVVLLWW C49H69N9O8 911.527 NA PeJP NA NA +PJ077316 PVQKERR C38H69N15O11 911.5301 NA PeJP NA NA +PJ077317 GGPLKERR C38H69N15O11 911.5302 NA PeJP NA NA +PJ077318 VLKKMFF C46H73N9O8S 911.5303 NA PeJP NA NA +PJ077319 APLLLKEE C42H73N9O13 911.5328 NA PeJP NA NA +PJ077320 PPTKKRW C43H69N13O9 911.5342 NA PeJP NA NA +MJ097520 Ochramycin C46H77N3O15 911.535468 NA MeJP NA NA +PJ077321 GPPVKKMR C40H73N13O9S 911.5375 NA PeJP NA NA +PJ077322 APKERRR C37H69N17O10 911.5414 NA PeJP NA NA +PJ077323 STTLLLKH C41H73N11O12 911.544 NA PeJP NA NA +PJ077324 APTLLLER C41H73N11O12 911.5441 NA PeJP NA NA +PJ077325 GPLKRRW C42H69N15O8 911.5454 NA PeJP NA NA +PJ077326 GPTLLLLW C46H73N9O10 911.5481 NA PeJP NA NA +PJ077327 PPKKMRR C39H73N15O8S 911.5488 NA PeJP NA NA +PJ077328 PPTLLLKM C43H77N9O10S 911.5515 NA PeJP NA NA +PJ077329 LLLLFFF C51H73N7O8 911.5521 NA PeJP NA NA +PJ077330 APTRRRR C36H69N19O9 911.5526 NA PeJP NA NA +PJ077331 AAPLKKER C40H73N13O11 911.5553 NA PeJP NA NA +PJ077332 PLLQKKW C45H73N11O9 911.5593 NA PeJP NA NA +PJ077333 GPLLLLMR C42H77N11O9S 911.5627 NA PeJP NA NA +PJ077334 PVKKERR C39H73N15O10 911.5665 NA PeJP NA NA +PJ077335 SPLLLLKE C43H77N9O12 911.5692 NA PeJP NA NA +PJ077336 PVVKKRW C44H73N13O8 911.5706 NA PeJP NA NA +PJ077337 LKKKKMH C41H77N13O8S 911.5739 NA PeJP NA NA +PJ077338 SPLKRRR C38H73N17O9 911.5778 NA PeJP NA NA +PJ077339 AVVLLLER C42H77N11O11 911.5804 NA PeJP NA NA +PJ077340 GVLLLLER C42H77N11O11 911.5805 NA PeJP NA NA +PJ077341 AALLLLLW C47H77N9O9 911.5845 NA PeJP NA NA +PJ077342 PVVLLLKM C44H81N9O9S 911.5878 NA PeJP NA NA +PJ077343 GVLRRRR C37H73N19O8 911.589 NA PeJP NA NA +PJ077344 LLLLERR C41H77N13O10 911.5917 NA PeJP NA NA +PJ077345 VLLLLRW C46H77N11O8 911.5957 NA PeJP NA NA +MJ097521 Ossamycin C49H85NO14 911.597006 NA MeJP NA NA +PJ077346 LRRRRR C36H73N21O7 911.6002 NA PeJP NA NA +PJ077347 VLLQKRR C40H77N15O9 911.6029 NA PeJP NA NA +PJ077348 ALLLLLKE C44H81N9O11 911.6056 NA PeJP NA NA +PJ077349 VVVKRRR C39H77N17O8 911.6141 NA PeJP NA NA +PJ077350 ALLKRRR C39H77N17O8 911.6142 NA PeJP NA NA +PJ077351 ATLLLLLR C43H81N11O10 911.6168 NA PeJP NA NA +PJ077352 AALLLKKR C42H81N13O9 911.6281 NA PeJP NA NA +PJ077353 VLLKKRR C41H81N15O8 911.6393 NA PeJP NA NA +PJ077354 SLLLLLLK C45H85N9O10 911.642 NA PeJP NA NA +PJ077355 GLLLLKKK C44H85N11O9 911.6532 NA PeJP NA NA +HMDB09773 PE(24:1(15Z)/24:1(15Z)) C53H102NO8P 911.734314 NA HMDB2010 NA NA +2852 NA YGGFTGARKSARKLANQ 911.97945 MH2+ Inhouse_peptide NA peptide +2942 NA YGGFTGARKSARKLANQ 911.97945 MH2+ Inhouse_peptide NA peptide +MJ097522 Samarangenin A; 3-O-(3,4,5-Trihydroxybenzoyl) C44H32O22 912.138522 NA MeJP NA NA +PJ077356 CCCCCCEF C32H48N8O11S6 912.1767 NA PeJP NA NA +PJ077357 CCCCDDDH C30H44N10O15S4 912.1871 NA PeJP NA NA +PJ077358 SCCCCCEY C32H48N8O13S5 912.1945 NA PeJP NA NA +MJ097523 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(4,6-di-O-malonyl-?-D-glucopyranoside) C42H41O23(+) 912.196037 NA MeJP NA NA +PJ077359 GCCCCMMY C33H52N8O10S6 912.2131 NA PeJP NA NA +PJ077360 CCCCCNQH C30H48N12O11S5 912.2169 NA PeJP NA NA +PJ077361 GGCCCCCQH C30H48N12O11S5 912.217 NA PeJP NA NA +PJ077362 CCNNDDDD C30H44N10O19S2 912.2226 NA PeJP NA NA +PJ077363 SCCCDDMH C31H48N10O14S4 912.2235 NA PeJP NA NA +PJ077364 GCCCCDFY C36H48N8O12S4 912.2275 NA PeJP NA NA +PJ077365 SCDDDDDE C31H44N8O22S 912.2291 NA PeJP NA NA +PJ077366 PCCDDDDM C32H48N8O17S3 912.23 NA PeJP NA NA +PJ077367 STCCCCMY C33H52N8O12S5 912.2309 NA PeJP NA NA +PJ077368 GSSCCCCNH C30H48N12O13S4 912.2347 NA PeJP NA NA +PJ077369 GSPCCCNDD C31H48N10O16S3 912.2412 NA PeJP NA NA +PJ077370 GCCCEMMH C32H52N10O11S5 912.2421 NA PeJP NA NA +PJ077371 GSCCCDYY C36H48N8O14S3 912.2452 NA PeJP NA NA +PJ077372 GCCCCMFF C37H52N8O9S5 912.2461 NA PeJP NA NA +PJ077373 GDDDDDMM C32H48N8O19S2 912.2478 NA PeJP NA NA +PJ077374 CCCNNNNE C30H48N12O15S3 912.2525 NA PeJP NA NA +PJ077375 CCCCCNKH C31H52N12O10S5 912.2533 NA PeJP NA NA +PJ077376 GCCCDEHF C35H48N10O13S3 912.2565 NA PeJP NA NA +PJ077377 CCCMMHW C36H52N10O8S5 912.2574 NA PeJP NA NA +PJ077378 SCNNDDDM C31H48N10O18S2 912.259 NA PeJP NA NA +PJ077379 SSCCDMMH C32H52N10O13S4 912.2599 NA PeJP NA NA +PJ077380 ACCCCHHH C33H48N14O9S4 912.2612 NA PeJP NA NA +PJ077381 GDDDDDDF C35H44N8O21 912.2622 NA PeJP NA NA +PJ077382 CDDDEMW C36H48N8O16S2 912.263 NA PeJP NA NA +PJ077383 CCCQMYY C37H52N8O11S4 912.2639 NA PeJP NA NA +PJ077384 SSDDDDEM C32H48N8O21S 912.2655 NA PeJP NA NA +PJ077385 SPCDDDMM C33H52N8O16S3 912.2664 NA PeJP NA NA +MetaCyc04297 methenyl-tetrahydrosarcinapterin [5,10-methenyl-tetrahydrosarcinapterin;5,10-methenyl-H4SPT;methenyl-H4SPT;] C36H47N7O19P1 912.266434 NA metacyc NA NA +PJ077386 GCDDDDHH C33H44N12O17S 912.2669 NA PeJP NA NA +PJ077387 PPCCCEMM C34H56N8O11S5 912.2673 NA PeJP NA NA +PJ077388 GCCCNNNW C34H48N12O12S3 912.2677 NA PeJP NA NA +MJ097524 Shegansu C C44H48O21 912.268808 NA MeJP NA NA +PJ077389 GSSCCNNND C30H48N12O17S2 912.2702 NA PeJP NA NA +PJ077390 PCCCCNDR C31H52N12O12S4 912.2711 NA PeJP NA NA +PJ077391 CCCDHFW C39H48N10O10S3 912.2717 NA PeJP NA NA +PJ077392 GSCCNDEW C35H48N10O15S2 912.2742 NA PeJP NA NA +PJ077393 GGGSCCDEW C35H48N10O15S2 912.2743 NA PeJP NA NA +PJ077394 GPCCCNMW C36H52N10O10S4 912.2751 NA PeJP NA NA +PJ077395 GSSSCNDDE C31H48N10O20S 912.2767 NA PeJP NA NA +PJ077396 GGGSSSCDDE C31H48N10O20S 912.2768 NA PeJP NA NA +PJ077397 GCNNDEMM C32H52N10O15S3 912.2776 NA PeJP NA NA +PJ077398 GTCCMMMH C33H56N10O10S5 912.2785 NA PeJP NA NA +PJ077399 SSCCCHHH C33H48N14O11S3 912.279 NA PeJP NA NA +PJ077400 GPCDDDEY C36H48N8O18S 912.2808 NA PeJP NA NA +PJ077401 GSSCCMYY C37H52N8O13S3 912.2816 NA PeJP NA NA +PJ077402 GSDDEEMM C33H52N8O18S2 912.2841 NA PeJP NA NA +PJ077403 GPCDEMMM C34H56N8O13S4 912.285 NA PeJP NA NA +MJ097525 Rubroside H; 21-Dechloro, 2'-O-[5-deoxy-2-O-methyl-?-D-arabinofuranosyl-(1?4)-?-D-xylopyranosyl] C42H54Cl2N2O16 912.285039 NA MeJP NA NA +MJ097526 Rubroside H; 21-Dechloro, 20Z-isomer, 22-epimer, 2'-O-[5-deoxy-2-O-methyl-?-D-arabinofuranosyl-(1?4)-?-D-xylopyranosyl] C42H54Cl2N2O16 912.285039 NA MeJP NA NA +PJ077404 SPCCDDHH C34H48N12O14S2 912.2855 NA PeJP NA NA +PJ077405 SCCNNNQM C31H52N12O14S3 912.2888 NA PeJP NA NA +PJ077406 GCCNDDMR C31H52N12O14S3 912.2889 NA PeJP NA NA +PJ077407 SCCNDWW C39H48N10O12S2 912.2895 NA PeJP NA NA +PJ077408 SSSCNDDW C35H48N10O17S 912.292 NA PeJP NA NA +PJ077409 CNNDMMW C36H52N10O12S3 912.2929 NA PeJP NA NA +PJ077410 SSSSSNDDD C31H48N10O22 912.2945 NA PeJP NA NA +PJ077411 SSNNDDMM C32H52N10O17S2 912.2954 NA PeJP NA NA +PJ077412 PCDDDYW C40H48N8O15S 912.296 NA PeJP NA NA +PJ077413 SSSCMMMH C33H56N10O12S4 912.2962 NA PeJP NA NA +PJ077414 GGGGPTCCMM C33H56N10O12S4 912.2963 NA PeJP NA NA +PJ077415 GCCNNEHH C33H48N14O13S2 912.2967 NA PeJP NA NA +PJ077416 CCCQFFY C41H52N8O10S3 912.2969 NA PeJP NA NA +PJ077417 NDDEEEY C36H48N8O20 912.2985 NA PeJP NA NA +PJ077418 SDDEMMW C37H52N8O15S2 912.2994 NA PeJP NA NA +PJ077419 SCCCNNNR C30H52N14O13S3 912.3001 NA PeJP NA NA +PJ077420 PCDMMMW C38H56N8O10S4 912.3003 NA PeJP NA NA +PJ077421 SSSDEEEM C33H52N8O20S 912.3019 NA PeJP NA NA +PJ077422 NEEEMMM C34H56N8O15S3 912.3028 NA PeJP NA NA +PJ077423 GCNNNNDY C34H48N12O16S 912.3032 NA PeJP NA NA +PJ077424 GGGGGGGCNDY C34H48N12O16S 912.3033 NA PeJP NA NA +PJ077425 PPTCCMMM C35H60N8O10S5 912.3036 NA PeJP NA NA +PJ077426 CCCNERW C35H52N12O11S3 912.3041 NA PeJP NA NA +PJ077427 SSCCNDER C31H52N12O16S2 912.3066 NA PeJP NA NA +PJ077428 CNNDDFW C39H48N10O14S 912.3073 NA PeJP NA NA +PJ077429 SPCCCNMR C32H56N12O11S4 912.3075 NA PeJP NA NA +PJ077430 GCCQMWW C40H52N10O9S3 912.3081 NA PeJP NA NA +PJ077431 DDDDDRY C35H48N10O19 912.3098 NA PeJP NA NA +PJ077432 GSSCNEMW C36H52N10O14S2 912.3106 NA PeJP NA NA +PJ077433 APCCCCKW C37H56N10O9S4 912.3115 NA PeJP NA NA +PJ077434 CCNNHHW C37H48N14O10S2 912.312 NA PeJP NA NA +PJ077435 GSSSSNDEM C32H52N10O19S 912.3131 NA PeJP NA NA +PJ077436 GDDEEYW C40H48N8O17 912.3138 NA PeJP NA NA +PJ077437 DDDMMMR C33H56N10O14S3 912.314 NA PeJP NA NA +PJ077438 SSCNNDHH C33H48N14O15S 912.3145 NA PeJP NA NA +PJ077439 GCNMYYY C41H52N8O12S2 912.3146 NA PeJP NA NA +PJ077440 PCDDMFW C41H52N8O12S2 912.3147 NA PeJP NA NA +PJ077441 APTCDDEY C37H52N8O17S 912.3171 NA PeJP NA NA +PJ077442 GSPDDEMY C37H52N8O17S 912.3172 NA PeJP NA NA +PJ077443 GEEMMMW C38H56N8O12S3 912.318 NA PeJP NA NA +PJ077444 SCDEHHW C38H48N12O13S 912.3185 NA PeJP NA NA +PJ077445 GCCCRWW C39H52N12O8S3 912.3194 NA PeJP NA NA +PJ077446 GSTEEEMM C34H56N8O17S2 912.3205 NA PeJP NA NA +PJ077447 SSSDDEHH C34H48N12O18 912.321 NA PeJP NA NA +PJ077448 GSPEMMMM C35H60N8O12S4 912.3214 NA PeJP NA NA +PJ077449 GSSCCDRW C35H52N12O13S2 912.3219 NA PeJP NA NA +PJ077450 SSSSSCNNQ C31H52N12O18S 912.3243 NA PeJP NA NA +PJ077451 GSSSSCDDR C31H52N12O18S 912.3244 NA PeJP NA NA +PJ077452 SNNDDYW C39H48N10O16 912.325 NA PeJP NA NA +PJ077453 GSCNDMMR C32H56N12O13S3 912.3252 NA PeJP NA NA +PJ077454 GGGGGGSCCKM C32H56N12O13S3 912.3253 NA PeJP NA NA +PJ077455 SSCNMWW C40H52N10O11S2 912.3259 NA PeJP NA NA +PJ077456 SSSSNDMW C36H52N10O16S 912.3284 NA PeJP NA NA +PJ077457 DDEYWW C44H48N8O14 912.329 NA PeJP NA NA +PJ077458 SNNMMMW C37H56N10O11S3 912.3292 NA PeJP NA NA +PJ077459 GGSNMMMW C37H56N10O11S3 912.3293 NA PeJP NA NA +PJ077460 SSSSSSNEE C32H52N10O21 912.3309 NA PeJP NA NA +PJ077461 SSSNQEMM C33H56N10O16S2 912.3317 NA PeJP NA NA +PJ077462 GGSSSQEMM C33H56N10O16S2 912.3318 NA PeJP NA NA +PJ077463 GNNNNDEH C33H48N14O17 912.3322 NA PeJP NA NA +PJ077464 GGGGGGGNDEH C33H48N14O17 912.3323 NA PeJP NA NA +PJ077465 SPDDMYW C41H52N8O14S 912.3324 NA PeJP NA NA +PJ077466 NQQMMMM C34H60N10O11S4 912.3326 NA PeJP NA NA +PJ077467 CDDMHHR C34H52N14O12S2 912.3331 NA PeJP NA NA +PJ077468 EMMMWW C42H56N8O9S3 912.3333 NA PeJP NA NA +PJ077469 SQEEEEY C37H52N8O19 912.3349 NA PeJP NA NA +PJ077470 STEEMMW C38H56N8O14S2 912.3358 NA PeJP NA NA +PJ077471 NDDEHHF C38H48N12O15 912.3362 NA PeJP NA NA +PJ077472 GGDDEHHF C38H48N12O15 912.3363 NA PeJP NA NA +PJ077473 GSCCCERR C31H56N14O12S3 912.3365 NA PeJP NA NA +PJ077474 SPMMMMW C39H60N8O9S4 912.3366 NA PeJP NA NA +PJ077475 GPPCMMMF C39H60N8O9S4 912.3367 NA PeJP NA NA +PJ077476 GDMMHHW C39H52N12O10S2 912.3371 NA PeJP NA NA +PJ077477 SSTTEEEM C34H56N8O19S 912.3383 NA PeJP NA NA +PJ077478 AATEEMMM C35H60N8O14S3 912.3391 NA PeJP NA NA +PJ077479 DKEEMMM C35H60N8O14S3 912.3392 NA PeJP NA NA +PJ077480 CNNDERY C35H52N12O15S 912.3396 NA PeJP NA NA +PJ077481 AAPMMMMM C36H64N8O9S5 912.34 NA PeJP NA NA +PJ077482 SCCQMRW C36H56N12O10S3 912.3405 NA PeJP NA NA +PJ077483 CNEHHHH C36H48N16O11S 912.341 NA PeJP NA NA +PJ077484 ACCHFFW C44H52N10O8S2 912.3411 NA PeJP NA NA +PJ077485 GSSSSSSSNN C31H52N12O20 912.3421 NA PeJP NA NA +PJ077486 SSSCNEMR C32H56N12O15S2 912.343 NA PeJP NA NA +PJ077487 GSSSTCWW C40H52N10O13S 912.3436 NA PeJP NA NA +PJ077488 GGGGGEMYW C40H52N10O13S 912.3437 NA PeJP NA NA +PJ077489 CNQMMMR C33H60N12O10S4 912.3438 NA PeJP NA NA +PJ077490 GGCQMMMR C33H60N12O10S4 912.3439 NA PeJP NA NA +PJ077491 GSCCNHHR C33H52N16O11S2 912.3443 NA PeJP NA NA +PJ077492 GCCKMWW C41H56N10O8S3 912.3445 NA PeJP NA NA +MJ097527 Chaetiacandin; 7-O-Sulfate C43H60O19S 912.34495 NA MeJP NA NA +PJ077493 GSSSSSSEW C36H52N10O18 912.3461 NA PeJP NA NA +PJ077494 GGGGGSTEEY C36H52N10O18 912.3462 NA PeJP NA NA +PJ077495 GSSSQMMW C37H56N10O13S2 912.347 NA PeJP NA NA +PJ077496 NNNNDHW C37H48N14O14 912.3475 NA PeJP NA NA +PJ077497 DEMFWW C45H52N8O11S 912.3477 NA PeJP NA NA +PJ077498 GSSSSTQEM C33H56N10O18S 912.3495 NA PeJP NA NA +PJ077499 GSSSSYYY C41H52N8O16 912.3501 NA PeJP NA NA +PJ077500 GTEEEYW C41H52N8O16 912.3502 NA PeJP NA NA +PJ077501 SEEMMMR C34H60N10O13S3 912.3504 NA PeJP NA NA +PJ077502 SSSNNMHH C34H52N14O14S 912.3508 NA PeJP NA NA +PJ077503 GPCNDDHR C34H52N14O14S 912.3509 NA PeJP NA NA +PJ077504 GPEMMYW C42H56N8O11S2 912.351 NA PeJP NA NA +PJ077505 GDDHHFW C42H48N12O12 912.3515 NA PeJP NA NA +PJ077506 SCCCRRW C35H56N14O9S3 912.3517 NA PeJP NA NA +MJ097528 Virotoxin; Viroisin C38H56N8O16S 912.353498 NA MeJP NA NA +PJ077507 VNEEEMY C38H56N8O16S 912.3535 NA PeJP NA NA +PJ077508 EEFYYY C46H52N6O14 912.3542 NA PeJP NA NA +PJ077509 SVEMMMW C39H60N8O11S3 912.3544 NA PeJP NA NA +PJ077510 GCNDRYW C39H52N12O12S 912.3549 NA PeJP NA NA +PJ077511 CCNMMRR C32H60N14O9S4 912.3551 NA PeJP NA NA +PJ077512 GCHHHHW C40H48N16O8S 912.3562 NA PeJP NA NA +PJ077513 SSSLEEMM C35H60N8O16S2 912.3569 NA PeJP NA NA +PJ077514 GSSNDDRY C35H52N12O17 912.3574 NA PeJP NA NA +PJ077515 LQEMMMM C36H64N8O11S4 912.3578 NA PeJP NA NA +PJ077516 GSSSCMRW C36H56N12O12S2 912.3582 NA PeJP NA NA +PJ077517 GGGPTCCRY C36H56N12O12S2 912.3583 NA PeJP NA NA +PJ077518 GSSDHHHH C36H48N16O13 912.3587 NA PeJP NA NA +PJ077519 NNMYWW C44H52N10O10S 912.3589 NA PeJP NA NA +PJ077520 GSSSSSDMR C32H56N12O17S 912.3607 NA PeJP NA NA +PJ077521 GGGGSSSSSCK C32H56N12O17S 912.3608 NA PeJP NA NA +PJ077522 SSSSSSWW C40H52N10O15 912.3614 NA PeJP NA NA +PJ077523 GSSNMMMR C33H60N12O12S3 912.3616 NA PeJP NA NA +PJ077524 STCCKWW C41H56N10O10S2 912.3623 NA PeJP NA NA +PJ077525 SSSSTQMW C37H56N10O15S 912.3648 NA PeJP NA NA +PJ077526 TEEYWW C45H52N8O13 912.3654 NA PeJP NA NA +PJ077527 SCQKMMW C38H60N10O10S3 912.3656 NA PeJP NA NA +PJ077528 GGAPCCKMF C38H60N10O10S3 912.3657 NA PeJP NA NA +PJ077529 NNNMHHF C38H52N14O11S 912.3661 NA PeJP NA NA +PJ077530 PMMYWW C46H56N8O8S2 912.3663 NA PeJP NA NA +PJ077531 SSSSSTTQE C33H56N10O20 912.3672 NA PeJP NA NA +PJ077532 SSSSSSDKE C33H56N10O20 912.3673 NA PeJP NA NA +PJ077533 SSSNKEMM C34H60N10O15S2 912.3681 NA PeJP NA NA +PJ077534 NNDEEHR C34H52N14O16 912.3686 NA PeJP NA NA +PJ077535 GVEEMYW C42H56N8O13S 912.3688 NA PeJP NA NA +PJ077536 VDMMMMR C35H64N10O10S4 912.369 NA PeJP NA NA +PJ077537 CCNDFRR C35H56N14O11S2 912.3695 NA PeJP NA NA +PJ077538 APMMMFW C43H60N8O8S3 912.3697 NA PeJP NA NA +PJ077539 GPCQHWW C43H52N12O9S 912.3701 NA PeJP NA NA +PJ077540 SKEEEEY C38H56N8O18 912.3713 NA PeJP NA NA +PJ077541 PDKEMMY C39H60N8O13S2 912.3722 NA PeJP NA NA +PJ077542 GQQEEHW C39H52N12O14 912.3726 NA PeJP NA NA +PJ077543 GGGAAEEHW C39H52N12O14 912.3727 NA PeJP NA NA +PJ077544 GSTCCMRR C32H60N14O11S3 912.3729 NA PeJP NA NA +PJ077545 ALMMMMW C40H64N8O8S4 912.373 NA PeJP NA NA +PJ077546 GCNMFRW C40H56N12O9S2 912.3735 NA PeJP NA NA +PJ077547 TTTTTEEM C35H60N8O18S 912.3747 NA PeJP NA NA +PJ077548 GTTLEMMM C36H64N8O13S3 912.3755 NA PeJP NA NA +MJ097529 Antibiotic SQ 28516; 6'-Amide C36H56N12O14S 912.375965 NA MeJP NA NA +PJ077549 SSSSTCRW C36H56N12O14S 912.376 NA PeJP NA NA +PJ077550 GSSQYWW C44H52N10O12 912.3766 NA PeJP NA NA +PJ077551 GGGSTYWW C44H52N10O12 912.3767 NA PeJP NA NA +PJ077552 SCCKMRW C37H60N12O9S3 912.3769 NA PeJP NA NA +PJ077553 SQMHHHH C37H52N16O10S 912.3773 NA PeJP NA NA +PJ077554 GGTMHHHH C37H52N16O10S 912.3774 NA PeJP NA NA +PJ077555 SSSSSSSER C32H56N12O19 912.3785 NA PeJP NA NA +PJ077556 SSSSQMMR C33H60N12O14S2 912.3794 NA PeJP NA NA +PJ077557 GSNNNDHR C33H52N16O15 912.3798 NA PeJP NA NA +PJ077558 GGGSNNDHR C33H52N16O15 912.3799 NA PeJP NA NA +PJ077559 EEMRYW C41H56N10O12S 912.38 NA PeJP NA NA +PJ077560 CNKMMMR C34H64N12O9S4 912.3802 NA PeJP NA NA +PJ077561 GGCKMMMR C34H64N12O9S4 912.3803 NA PeJP NA NA +PJ077562 PDFYWW C49H52N8O10 912.3807 NA PeJP NA NA +PJ077563 PPCHHHW C42H52N14O8S 912.3814 NA PeJP NA NA +PJ077564 GSSSSTTTW C37H56N10O17 912.3825 NA PeJP NA NA +PJ077565 GGGAAPPEEE C37H56N10O17 912.3826 NA PeJP NA NA +PJ077566 GSSSKMMW C38H60N10O12S2 912.3834 NA PeJP NA NA +PJ077567 GNDEHRW C38H52N14O13 912.3839 NA PeJP NA NA +PJ077568 VEMYWW C46H56N8O10S 912.384 NA PeJP NA NA +PJ077569 GPEMFFW C46H56N8O10S 912.3841 NA PeJP NA NA +PJ077570 GSSSSTKEM C34H60N10O17S 912.3859 NA PeJP NA NA +PJ077571 SSLEEYW C42H56N8O15 912.3865 NA PeJP NA NA +PJ077572 GGPVEEYY C42H56N8O15 912.3866 NA PeJP NA NA +PJ077573 GSTQKMMM C35H64N10O12S3 912.3868 NA PeJP NA NA +PJ077574 SCNDRRY C35H56N14O13S 912.3872 NA PeJP NA NA +PJ077575 GGGSPDMHR C35H56N14O13S 912.3873 NA PeJP NA NA +PJ077576 SPVMMYW C43H60N8O10S2 912.3874 NA PeJP NA NA +PJ077577 QQEHWW C43H52N12O11 912.3879 NA PeJP NA NA +PJ077578 AMMMHHR C36H60N14O8S3 912.3881 NA PeJP NA NA +PJ077579 SCHHHHR C36H52N18O9S 912.3886 NA PeJP NA NA +PJ077580 VDKEEMY C39H60N8O15S 912.3899 NA PeJP NA NA +PJ077581 LEYYYY C47H56N6O13 912.3906 NA PeJP NA NA +PJ077582 TTLMMMW C40H64N8O10S3 912.3908 NA PeJP NA NA +PJ077583 ASCQRYW C40H56N12O11S 912.3912 NA PeJP NA NA +PJ077584 GSNMRYW C40H56N12O11S 912.3913 NA PeJP NA NA +PJ077585 NNFFWW C48H52N10O9 912.3919 NA PeJP NA NA +PJ077586 STTTLEMM C36H64N8O15S2 912.3933 NA PeJP NA NA +PJ077587 SSSNNNKY C36H56N12O16 912.3937 NA PeJP NA NA +PJ077588 GSSSQERY C36H56N12O16 912.3938 NA PeJP NA NA +PJ077589 LKEMMMM C37H68N8O10S4 912.3942 NA PeJP NA NA +PJ077590 GQQMMRY C37H60N12O11S2 912.3946 NA PeJP NA NA +PJ077591 GGGGGCCKKF C37H60N12O11S2 912.3947 NA PeJP NA NA +PJ077592 PDDHHHR C37H52N16O12 912.3951 NA PeJP NA NA +PJ077593 CQKYWW C45H56N10O9S 912.3953 NA PeJP NA NA +PJ077594 GSSSSTTMR C33H60N12O16S 912.3971 NA PeJP NA NA +PJ077595 SSNKEYW C41H56N10O14 912.3978 NA PeJP NA NA +PJ077596 GSTCKMMR C34H64N12O11S3 912.398 NA PeJP NA NA +PJ077597 NNNQMHR C34H56N16O12S 912.3985 NA PeJP NA NA +PJ077598 ACQKMFW C42H60N10O9S2 912.3986 NA PeJP NA NA +PJ077599 GNKMMFW C42H60N10O9S2 912.3987 NA PeJP NA NA +MJ097530 3,14,16-Trihydroxybufa-4,20,22-trienolide, 3-O-[6-Deoxy-?-L-glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside], 16-Ac C44H64O20 912.399094 NA MeJP NA NA +MJ097531 3,14,16-Trihydroxybufa-4,20,22-trienolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-glucopyranoside], 16-Ac C44H64O20 912.399094 NA MeJP NA NA +MJ097532 Thevetiogenin; 19-Oxo, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2-O-acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside] C44H64O20 912.399094 NA MeJP NA NA +PJ077600 NDHRWW C42H52N14O10 912.3991 NA PeJP NA NA +PJ077601 PMFFWW C50H56N8O7S 912.3993 NA PeJP NA NA +PJ077602 SSSSTKMW C38H60N10O14S 912.4011 NA PeJP NA NA +PJ077603 SVEEMRY C38H60N10O14S 912.4012 NA PeJP NA NA +MJ097533 Microsclerodermin H; 2',3'-Didehydro(Z-) C46H56N8O12 912.401769 NA MeJP NA NA +PJ077604 GPVEYYW C46H56N8O12 912.4018 NA PeJP NA NA +PJ077605 SCKKMMW C39H64N10O9S3 912.402 NA PeJP NA NA +PJ077606 SPCQHRW C39H56N14O10S 912.4025 NA PeJP NA NA +PJ077607 LMMFWW C47H60N8O7S2 912.4027 NA PeJP NA NA +PJ077608 AQHWWW C47H52N12O8 912.4031 NA PeJP NA NA +PJ077609 GAAHWWW C47H52N12O8 912.4032 NA PeJP NA NA +PJ077610 SSSSSTTKE C34H60N10O19 912.4036 NA PeJP NA NA +PJ077611 SSSDKKMM C35H64N10O14S2 912.4045 NA PeJP NA NA +PJ077612 SQQEEHR C35H56N14O15 912.405 NA PeJP NA NA +PJ077613 ATLEMYW C43H60N8O12S 912.4052 NA PeJP NA NA +PJ077614 TLMMMMR C36H68N10O9S4 912.4054 NA PeJP NA NA +PJ077615 GCQMRRY C36H60N14O10S2 912.4059 NA PeJP NA NA +PJ077616 GPCKHWW C44H56N12O8S 912.4065 NA PeJP NA NA +PJ077617 GTTTLEEY C39H60N8O17 912.4077 NA PeJP NA NA +PJ077618 VLQEMMY C40H64N8O12S2 912.4085 NA PeJP NA NA +PJ077619 GGLLEMMY C40H64N8O12S2 912.4086 NA PeJP NA NA +PJ077620 SSSQRYW C40H56N12O13 912.409 NA PeJP NA NA +PJ077621 GGGGGGGGPPPF C40H56N12O13 912.4091 NA PeJP NA NA +PJ077622 CNNNHRR C33H56N18O11S 912.4097 NA PeJP NA NA +PJ077623 ACCKFRW C41H60N12O8S2 912.4099 NA PeJP NA NA +PJ077624 AQHHHHF C41H52N16O9 912.4104 NA PeJP NA NA +PJ077625 SSTLLMMM C37H68N8O12S3 912.4119 NA PeJP NA NA +PJ077626 SNDKMRY C37H60N12O13S 912.4124 NA PeJP NA NA +PJ077627 GSSKYWW C45H56N10O11 912.413 NA PeJP NA NA +PJ077628 GAAPPEWW C45H56N10O11 912.4131 NA PeJP NA NA +PJ077629 VKMMMHH C38H64N12O8S3 912.4133 NA PeJP NA NA +PJ077630 SKMHHHH C38H56N16O9S 912.4137 NA PeJP NA NA +PJ077631 SSSSSTTTR C33H60N12O18 912.4149 NA PeJP NA NA +PJ077632 SSSSKMMR C34H64N12O13S2 912.4157 NA PeJP NA NA +PJ077633 SNDEHRR C34H56N16O14 912.4162 NA PeJP NA NA +PJ077634 GGGGGGGTTHR C34H56N16O14 912.4163 NA PeJP NA NA +PJ077635 GTQKMYW C42H60N10O11S 912.4164 NA PeJP NA NA +PJ077636 PVYYWW C50H56N8O9 912.4171 NA PeJP NA NA +PJ077637 MHHFRW C43H56N14O7S 912.4178 NA PeJP NA NA +PJ077638 GSSDKKEY C38H60N10O16 912.4189 NA PeJP NA NA +PJ077639 ALEMMRY C39H64N10O11S2 912.4198 NA PeJP NA NA +PJ077640 GTQEHRW C39H56N14O12 912.4202 NA PeJP NA NA +PJ077641 GGATEHRW C39H56N14O12 912.4203 NA PeJP NA NA +PJ077642 GPLMFYW C47H60N8O9S 912.4204 NA PeJP NA NA +PJ077643 SSSSSSLKM C35H64N10O16S 912.4223 NA PeJP NA NA +PJ077644 TTTLEYW C43H60N8O14 912.4229 NA PeJP NA NA +PJ077645 GSTKKMMM C36H68N10O11S3 912.4232 NA PeJP NA NA +PJ077646 SSNMRRY C36H60N14O12S 912.4236 NA PeJP NA NA +PJ077647 GGGGGGAPPMR C36H60N14O12S 912.4237 NA PeJP NA NA +PJ077648 GLLMMYW C44H64N8O9S2 912.4238 NA PeJP NA NA +PJ077649 GPPDRWW C44H56N12O10 912.4243 NA PeJP NA NA +PJ077650 TLKEEMY C40H64N8O14S 912.4263 NA PeJP NA NA +PJ077651 PLKMMMY C41H68N8O9S3 912.4272 NA PeJP NA NA +PJ077652 GTCKRYW C41H60N12O10S 912.4276 NA PeJP NA NA +PJ077653 GPPPTCRW C41H60N12O10S 912.4277 NA PeJP NA NA +PJ077654 AAPPWWW C49H56N10O8 912.4283 NA PeJP NA NA +PJ077655 GSSSKERY C37H60N12O15 912.4301 NA PeJP NA NA +PJ077656 TLEEEHR C37H60N12O15 912.4302 NA PeJP NA NA +PJ077657 GQKMMRY C38H64N12O10S2 912.431 NA PeJP NA NA +PJ077658 GSDHRRW C38H56N16O11 912.4315 NA PeJP NA NA +PJ077659 CKKYWW C46H60N10O8S 912.4317 NA PeJP NA NA +PJ077660 SSDKKYW C42H60N10O13 912.4342 NA PeJP NA NA +PJ077661 NNNKMHR C35H60N16O11S 912.4348 NA PeJP NA NA +PJ077662 GQEMHRR C35H60N16O11S 912.4349 NA PeJP NA NA +PJ077663 ACKKMFW C43H64N10O8S2 912.435 NA PeJP NA NA +MJ097534 Spirosta-5,25(27)-diene-1,3,23,24-tetrol, 1-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] C45H68O19 912.435479 NA MeJP NA NA +PJ077664 TQHRWW C43H56N14O9 912.4355 NA PeJP NA NA +PJ077665 TTLEMRY C39H64N10O13S 912.4375 NA PeJP NA NA +PJ077666 AALLEEMH C39H64N10O13S 912.4376 NA PeJP NA NA +PJ077667 APTLYYW C47H60N8O11 912.4382 NA PeJP NA NA +PJ077668 VVMMMFR C40H68N10O8S3 912.4384 NA PeJP NA NA +PJ077669 GVQMHRW C40H60N14O9S 912.4389 NA PeJP NA NA +PJ077670 AKHWWW C48H56N12O7 912.4395 NA PeJP NA NA +PJ077671 SSSTTTTTK C35H64N10O18 912.44 NA PeJP NA NA +PJ077672 SSTTKKMM C36H68N10O13S2 912.4409 NA PeJP NA NA +PJ077673 GSSSTRRY C36H60N14O14 912.4414 NA PeJP NA NA +PJ077674 STLLMYW C44H64N8O11S 912.4415 NA PeJP NA NA +PJ077675 VTTLMYW C44H64N8O11S 912.4416 NA PeJP NA NA +PJ077676 GCKMRRY C37H64N14O9S2 912.4423 NA PeJP NA NA +PJ077677 AQQHHHR C37H56N18O10 912.4427 NA PeJP NA NA +PJ077678 SSTTLLEY C40H64N8O16 912.4441 NA PeJP NA NA +PJ077679 VLKEMMY C41H68N8O11S2 912.4449 NA PeJP NA NA +PJ077680 SSSKRYW C41H60N12O12 912.4454 NA PeJP NA NA +PJ077681 GCEHRRR C34H60N18O10S 912.4461 NA PeJP NA NA +PJ077682 AKHHHHF C42H56N16O8 912.4468 NA PeJP NA NA +PJ077683 STQKMRY C38H64N12O12S 912.4488 NA PeJP NA NA +PJ077684 APPKEWW C46H60N10O10 912.4494 NA PeJP NA NA +PJ077685 QMHRRW C39H60N16O8S 912.4501 NA PeJP NA NA +PJ077686 STQEHRR C35H60N16O13 912.4526 NA PeJP NA NA +PJ077687 GGGGGGGGGPKR C35H60N16O13 912.4527 NA PeJP NA NA +PJ077688 GTKKMYW C43H64N10O10S 912.4528 NA PeJP NA NA +PJ077689 VLFYWW C51H60N8O8 912.4534 NA PeJP NA NA +PJ077690 GPLFFFW C51H60N8O8 912.4535 NA PeJP NA NA +PJ077691 GNHHHRR C36H56N20O9 912.454 NA PeJP NA NA +PJ077692 GSTTKKEY C39H64N10O15 912.4553 NA PeJP NA NA +PJ077693 SLLMMRY C40H68N10O10S2 912.4562 NA PeJP NA NA +PJ077694 SPPDRRW C40H60N14O11 912.4566 NA PeJP NA NA +PJ077695 GGGGPVQRW C40H60N14O11 912.4567 NA PeJP NA NA +PJ077696 GLLMFFW C48H64N8O8S 912.4568 NA PeJP NA NA +3473 alpha-casomorphin (90-96) RYLGYLE 912.458 ACE inhibitor Inhouse_peptide NA peptide +PJ077697 PTLKEYY C44H64N8O13 912.4593 NA PeJP NA NA +PJ077698 STCKRRY C37H64N14O11S 912.46 NA PeJP NA NA +PJ077699 PLKMMFF C45H68N8O8S2 912.4602 NA PeJP NA NA +PJ077700 APPTRWW C45H60N12O9 912.4607 NA PeJP NA NA +PJ077701 CHRRRW C38H60N18O7S 912.4614 NA PeJP NA NA +MJ097535 Cytorhodin X C48H68N2O15 912.461969 NA MeJP NA NA +PJ077702 SSSLLLMY C41H68N8O13S 912.4627 NA PeJP NA NA +PJ077703 LLKMMMF C42H72N8O8S3 912.4636 NA PeJP NA NA +PJ077704 SSDHRRR C34H60N18O12 912.4639 NA PeJP NA NA +PJ077705 PPVQMRW C42H64N12O9S 912.464 NA PeJP NA NA +PJ077706 GSTTTKRY C38H64N12O14 912.4665 NA PeJP NA NA +PJ077707 GGGPLLDER C38H64N12O14 912.4666 NA PeJP NA NA +PJ077708 GKKMMRY C39H68N12O9S2 912.4674 NA PeJP NA NA +PJ077709 GTTHRRW C39H60N16O10 912.4679 NA PeJP NA NA +PJ077710 STTKKYW C43H64N10O12 912.4705 NA PeJP NA NA +PJ077711 PPKKEEW C43H64N10O12 912.4706 NA PeJP NA NA +PJ077712 SVQMHRR C36H64N16O10S 912.4712 NA PeJP NA NA +PJ077713 PPCERRR C36H64N16O10S 912.4713 NA PeJP NA NA +MJ097536 2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 28-O-[?-D-Xylopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl] ester C46H72O18 912.471865 NA MeJP NA NA +MJ097537 3,8,11,12,14,15-Hexahydroxypregn-5-en-20-one, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside], 11,12-di-Ac C46H72O18 912.471865 NA MeJP NA NA +MJ097538 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 11,12-Di-Ac, 3-O-[3-O-methyl-6-deoxy-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C46H72O18 912.471865 NA MeJP NA NA +MJ097539 3-Hydroxy-12-oleanene-28,29-dioic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?3)]-?-D-glucopyranoside] C46H72O18 912.471865 NA MeJP NA NA +PJ077714 TKHRWW C44H60N14O8 912.4719 NA PeJP NA NA +PJ077715 SKKKEMY C40H68N10O12S 912.4739 NA PeJP NA NA +PJ077716 GVLLYYW C48H64N8O10 912.4746 NA PeJP NA NA +PJ077717 APPMRRW C41H64N14O8S 912.4753 NA PeJP NA NA +PJ077718 PVQEERR C37H64N14O13 912.4778 NA PeJP NA NA +PJ077719 PVLKMYY C45H68N8O10S 912.4779 NA PeJP NA NA +MJ097540 Enterococcus faecalis Sex pheromone cPD1 C45H68N8O10S 912.477911 NA MeJP NA NA +PJ077720 GGLLLMFY C45H68N8O10S 912.478 NA PeJP NA NA +PJ077721 PPNHHRR C38H60N18O9 912.4791 NA PeJP NA NA +PJ077722 TTTTTLLY C41H68N8O15 912.4804 NA PeJP NA NA +PJ077723 APLLLEEE C41H68N8O15 912.4805 NA PeJP NA NA +PJ077724 PPTKERW C42H64N12O11 912.4818 NA PeJP NA NA +PJ077725 GTMHRRR C35H64N18O9S 912.4825 NA PeJP NA NA +PJ077726 STKKMRY C39H68N12O11S 912.4851 NA PeJP NA NA +PJ077727 GPPVKEMR C39H68N12O11S 912.4852 NA PeJP NA NA +PJ077728 SPPLKWW C47H64N10O9 912.4858 NA PeJP NA NA +PJ077729 KMHRRW C40H64N16O7S 912.4865 NA PeJP NA NA +PJ077730 APEERRR C36H64N16O12 912.489 NA PeJP NA NA +PJ077731 TLLLMHW C44H68N10O9S 912.4892 NA PeJP NA NA +PJ077732 SSSTLKKY C40H68N10O14 912.4917 NA PeJP NA NA +PJ077733 CLKKKMY C41H72N10O9S2 912.4926 NA PeJP NA NA +PJ077734 GPLERRW C41H64N14O10 912.493 NA PeJP NA NA +PJ077735 VVLKEYY C45H68N8O12 912.4957 NA PeJP NA NA +PJ077736 PPKEMRR C38H68N14O10S 912.4964 NA PeJP NA NA +PJ077737 APKKHFW C46H64N12O8 912.497 NA PeJP NA NA +PJ077738 GPVLRWW C46H64N12O8 912.4971 NA PeJP NA NA +PJ077739 PPTLLLEM C42H72N8O12S 912.4991 NA PeJP NA NA +PJ077740 STTHRRR C35H64N18O11 912.5002 NA PeJP NA NA +PJ077741 GGGGPTRRR C35H64N18O11 912.5003 NA PeJP NA NA +PJ077742 PPVKMRW C43H68N12O8S 912.5004 NA PeJP NA NA +PJ077743 AAPLKEER C39H68N12O13 912.5029 NA PeJP NA NA +PJ077744 GGGGGGGGVLLL C39H68N12O13 912.503 NA PeJP NA NA +PJ077745 LLLMMHR C40H72N12O8S2 912.5038 NA PeJP NA NA +PJ077746 GPNKRRW C40H64N16O9 912.5043 NA PeJP NA NA +PJ077747 PLLQKEW C44H68N10O11 912.5069 NA PeJP NA NA +PJ077748 GAPLLKEW C44H68N10O11 912.507 NA PeJP NA NA +PJ077749 PPTMRRR C37H68N16O9S 912.5076 NA PeJP NA NA +MJ097541 11,13(18)-Oleanadiene-3,16,23,28-tetrol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097542 12-Oleanene-2,3,28-triol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097543 12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097544 12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?2)-?-D-glucuronopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097545 12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?4)-?-D-glucuronopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097546 12-Oleanene-3,22-diol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097547 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097548 13,28-Epoxy-3,16-dihydroxy-30-oleanal, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-L-arabinopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097549 22,24-Dihydroxy-28-hopanoic acid; 28?22 Lactone, 24-O-[?-L-arabinofuranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097550 27(13?18)-Abeo-3-hydroxy-26-nor-13-taraxeren-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C47H76O17 912.508251 NA MeJP NA NA +MJ097551 27(13?18)-Abeo-3-hydroxy-26-nor-14-taraxeren-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C47H76O17 912.508251 NA MeJP NA NA +MJ097552 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl] ester C47H76O17 912.508251 NA MeJP NA NA +MJ097553 3,19-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O17 912.508251 NA MeJP NA NA +MJ097554 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O17 912.508251 NA MeJP NA NA +MJ097555 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-xylopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097556 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O17 912.508251 NA MeJP NA NA +MJ097557 3,20-Dihydroxydammar-24-en-21,23-olide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside], 20-O-?-D-rhamnopyranoside C47H76O17 912.508251 NA MeJP NA NA +MJ097558 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097559 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-Cymaropyranosyl-(1?4)-?-digitoxopyranosyl-(1?4)-?-oleandropyranosyl-(1?4)-?-digitoxopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097560 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097561 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-digitoxopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097562 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-oleandropyranosyl-(1?4)-digitoxopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097563 3-Hydroxy-27-nor-13-oleanen-28-oic acid, 3-O-?-L-Rhamnopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C47H76O17 912.508251 NA MeJP NA NA +MJ097564 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Apiofuranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097565 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-L-rhamnopyranosyl(1?2)-?-L-arabinopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097566 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097567 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097568 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097569 Jujubogenin; 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-L-arabinopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097570 Jujubogenin; 3-O-[?-D-Glucopyranosyl-(1?3)-[6-deoxy-?-D-glucopyranosyl-(1?2)]-?-L-arabinopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097571 Jujubogenin; 3-O-[?-D-Glucopyranosyl-(1?3)-[6-deoxy-?-L-talopyranosyl-(1?2)]-?-L-arabinopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097572 Jujubogenin; 3-O-[?-D-Glucopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-L-arabinopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097573 Jujubogenin; 3-O-[?-L-Arabinopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?2)]-6-deoxy-?-L-talopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097574 Jujubogenin; 3-O-[?-L-Fucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097575 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097576 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1??)-[?-D-glucopyranosyl-(1??)]-?-D-xylopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097577 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097578 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?6)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] C47H76O17 912.508251 NA MeJP NA NA +MJ097579 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O17 912.508251 NA MeJP NA NA +MJ097580 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O17 912.508251 NA MeJP NA NA +MJ097581 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-galactopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O17 912.508251 NA MeJP NA NA +MJ097582 Oleanolic acid bisdesmosides; Triglycosides, 3-O-?-L-Arabinopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C47H76O17 912.508251 NA MeJP NA NA +C12081 Soyasaponin II C47H76O17 912.5083 NA KEGG NA NA +C17546 Akeboside Stf C47H76O17 912.5083 NA KEGG NA NA +PJ077750 PLRRWW C45H64N14O7 912.5083 NA PeJP NA NA +PJ077751 SSLLLLMH C41H72N10O11S 912.5103 NA PeJP NA NA +PJ077752 PVLKFFY C49H68N8O9 912.511 NA PeJP NA NA +PJ077753 PQQKKER C38H68N14O12 912.5141 NA PeJP NA NA +PJ077754 PVKEERR C38H68N14O12 912.5142 NA PeJP NA NA +PJ077755 VLLKMFY C46H72N8O9S 912.5143 NA PeJP NA NA +PJ077756 AAHFRRR C39H64N18O8 912.5155 NA PeJP NA NA +PJ077757 SPLLLLEE C42H72N8O14 912.5168 NA PeJP NA NA +PJ077758 PPVLLLMM C43H76N8O9S2 912.5177 NA PeJP NA NA +PJ077759 PVVKERW C43H68N12O10 912.5182 NA PeJP NA NA +PJ077760 APPTLKMR C40H72N12O10S 912.5216 NA PeJP NA NA +PJ077761 APLLKWW C48H68N10O8 912.5222 NA PeJP NA NA +PJ077762 SPLERRR C37H68N16O11 912.5254 NA PeJP NA NA +PJ077763 CLKKKFF C45H72N10O8S 912.5256 NA PeJP NA NA +PJ077764 GPLLKKEE C41H72N10O13 912.5281 NA PeJP NA NA +PJ077765 SPVLRRW C42H68N14O9 912.5294 NA PeJP NA NA +PJ077766 TLLLKYY C46H72N8O11 912.5321 NA PeJP NA NA +PJ077767 PLLQMRR C39H72N14O9S 912.5328 NA PeJP NA NA +PJ077768 PVVLLLEM C43H76N8O11S 912.5355 NA PeJP NA NA +PJ077769 SPNKRRR C36H68N18O10 912.5366 NA PeJP NA NA +PJ077770 GPTLLKER C40H72N12O12 912.5393 NA PeJP NA NA +PJ077771 AVKHFRR C41H68N16O8 912.5406 NA PeJP NA NA +PJ077772 GLKHFRR C41H68N16O8 912.5407 NA PeJP NA NA +PJ077773 PLLKKEW C45H72N10O10 912.5433 NA PeJP NA NA +PJ077774 PVVMRRR C38H72N16O8S 912.544 NA PeJP NA NA +MJ097583 Cycloart-24-ene-3,22,26-triol, 3-O-[6-Deoxy-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-?-D-fucopyranoside] C48H80O16 912.544636 NA MeJP NA NA +MJ097584 Cycloart-24-ene-3,22,26-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?2)]-?-D-fucopyranoside] C48H80O16 912.544636 NA MeJP NA NA +MJ097585 Eupha-7,24-diene-3,11,23-triol, 3,23-Di-O-?-L-rhamnopyranoside, 11-O-?-D-glucopyranoside C48H80O16 912.544636 NA MeJP NA NA +MJ097586 Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-thevetopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-digitoxopyranoside] C48H80O16 912.544636 NA MeJP NA NA +PJ077775 SPPLLKKM C42H76N10O10S 912.5467 NA PeJP NA NA +PJ077776 VLLKFFF C50H72N8O8 912.5473 NA PeJP NA NA +PJ077777 AAQRRRR C35H68N20O9 912.5479 NA PeJP NA NA +MJ097587 Ritterazine A C54H76N2O10 912.549996 NA MeJP NA NA +MJ097588 Ritterazine B; 12-Ketone, 14-hydroxy, 22-epimer C54H76N2O10 912.549996 NA MeJP NA NA +MJ097589 Ritterazine J; 7'-Deoxy C54H76N2O10 912.549996 NA MeJP NA NA +PJ077778 VLLQERR C39H72N14O11 912.5505 NA PeJP NA NA +PJ077779 GGLLLERR C39H72N14O11 912.5506 NA PeJP NA NA +PJ077780 ALLLLLEE C43H76N8O13 912.5532 NA PeJP NA NA +PJ077781 PTLLKRW C44H72N12O9 912.5546 NA PeJP NA NA +PJ077782 GPVLLKMR C41H76N12O9S 912.5579 NA PeJP NA NA +PJ077783 NRRRRR C34H68N22O8 912.5591 NA PeJP NA NA +PJ077784 ALLERRR C38H72N16O10 912.5618 NA PeJP NA NA +PJ077785 VTLLLLNQ C42H76N10O12 912.5644 NA PeJP NA NA +PJ077786 SPVLLKKE C42H76N10O12 912.5645 NA PeJP NA NA +PJ077787 GLLLRRW C43H72N14O8 912.5658 NA PeJP NA NA +PJ077788 PPVVLLLY C47H76N8O10 912.5685 NA PeJP NA NA +PJ077789 PLLKMRR C40H76N14O8S 912.5692 NA PeJP NA NA +PJ077790 PTLLLLLM C44H80N8O10S 912.5719 NA PeJP NA NA +HMDB09819 PI(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) C49H85O13P 912.572754 NA HMDB2010 NA NA +HMDB09820 PI(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C49H85O13P 912.572754 NA HMDB2010 NA NA +HMDB09857 PI(18:2(9Z,12Z)/22:3(10Z,13Z,16Z)) C49H85O13P 912.572754 NA HMDB2010 NA NA +HMDB09873 PI(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C49H85O13P 912.572754 NA HMDB2010 NA NA +HMDB09874 PI(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C49H85O13P 912.572754 NA HMDB2010 NA NA +HMDB09898 PI(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)) C49H85O13P 912.572754 NA HMDB2010 NA NA +HMDB09904 PI(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)) C49H85O13P 912.572754 NA HMDB2010 NA NA +HMDB09909 PI(22:3(10Z,13Z,16Z)/18:2(9Z,12Z)) C49H85O13P 912.572754 NA HMDB2010 NA NA +HMDB09917 PI(22:5(4Z,7Z,10Z,13Z,16Z)/18:0) C49H85O13P 912.572754 NA HMDB2010 NA NA +HMDB09919 PI(22:5(7Z,10Z,13Z,16Z,19Z)/18:0) C49H85O13P 912.572754 NA HMDB2010 NA NA +PJ077791 GLQKRRR C37H72N18O9 912.573 NA PeJP NA NA +PJ077792 AALLLKER C41H76N12O11 912.5757 NA PeJP NA NA +PJ077793 LLLLQKW C46H76N10O9 912.5797 NA PeJP NA NA +PJ077794 APLLLKKM C43H80N10O9S 912.5831 NA PeJP NA NA +PJ077795 AAKRRRR C36H72N20O8 912.5843 NA PeJP NA NA +PJ077796 VLLKERR C40H76N14O10 912.5869 NA PeJP NA NA +PJ077797 SLLLLLLE C44H80N8O12 912.5896 NA PeJP NA NA +PJ077798 VVLLKRW C45H76N12O8 912.5909 NA PeJP NA NA +PJ077799 PVKKKKW C45H76N12O8 912.591 NA PeJP NA NA +PJ077800 SLLLRRR C39H76N16O9 912.5982 NA PeJP NA NA +PJ077801 VVVVLKKE C43H80N10O11 912.6008 NA PeJP NA NA +PJ077802 GLLLLKKE C43H80N10O11 912.6009 NA PeJP NA NA +PJ077803 PVVLLLLF C48H80N8O9 912.6049 NA PeJP NA NA +PJ077804 VVLLLLLM C45H84N8O9S 912.6082 NA PeJP NA NA +PJ077805 GLKKRRR C38H76N18O8 912.6094 NA PeJP NA NA +PJ077806 GTLLLLKR C42H80N12O10 912.6121 NA PeJP NA NA +PJ077807 LLLLKKW C47H80N10O8 912.6161 NA PeJP NA NA +PJ077808 LLQKKKR C41H80N14O9 912.6233 NA PeJP NA NA +PJ077809 VVKKKRR C40H80N16O8 912.6345 NA PeJP NA NA +PJ077810 SVLLLLKK C44H84N10O10 912.6372 NA PeJP NA NA +PJ077811 GVLLKKKK C43H84N12O9 912.6485 NA PeJP NA NA +PJ077812 LLKKKKR C42H84N14O8 912.6597 NA PeJP NA NA +MJ097590 Glycerol 1,3-didocosanoate 2-ferulate C57H100O8 912.74182 NA MeJP NA NA +HMDB05410 TG(18:0/18:2(9Z,12Z)/20:1(11Z))[iso6] C59H108O6 912.814575 NA HMDB2010 NA NA +HMDB05442 TG(16:1(9Z)/20:1(11Z)/20:1(11Z))[iso3] C59H108O6 912.814575 NA HMDB2010 NA NA +HMDB05454 TG(18:1(9Z)/18:1(9Z)/20:1(11Z))[iso3] C59H108O6 912.814575 NA HMDB2010 NA NA +HMDB05459 TG(18:1(9Z)/18:2(9Z,12Z)/20:0)[iso6] C59H108O6 912.814575 NA HMDB2010 NA NA +HMDB05410 TG(18:0/18:2(9Z,12Z)/20:1(11Z))[iso6] C59H108O6 912.81458 http://www.hmdb.ca/metabolites/HMDB05410 HMDB NA NA +HMDB05442 TG(16:1(9Z)/20:1(11Z)/20:1(11Z))[iso3] C59H108O6 912.81458 http://www.hmdb.ca/metabolites/HMDB05442 HMDB NA NA +HMDB05454 TG(18:1(9Z)/18:1(9Z)/20:1(11Z))[iso3] C59H108O6 912.81458 http://www.hmdb.ca/metabolites/HMDB05454 HMDB NA NA +HMDB05459 TG(18:1(9Z)/18:2(9Z,12Z)/20:0)[iso6] C59H108O6 912.81458 http://www.hmdb.ca/metabolites/HMDB05459 HMDB NA NA +HMDB05410 TG(18:0/18:2(9Z,12Z)/20:1(11Z))[iso6] C59H108O6 912.81458 HMDB05410 PFEM_hmdb_metabocards_official NA NA +HMDB05442 TG(16:1(9Z)/20:1(11Z)/20:1(11Z))[iso3] C59H108O6 912.81458 HMDB05442 PFEM_hmdb_metabocards_official NA NA +HMDB05454 TG(18:1(9Z)/18:1(9Z)/20:1(11Z))[iso3] C59H108O6 912.81458 HMDB05454 PFEM_hmdb_metabocards_official NA NA +HMDB05459 TG(18:1(9Z)/18:2(9Z,12Z)/20:0)[iso6] C59H108O6 912.81458 HMDB05459 PFEM_hmdb_metabocards_official NA NA +7776 Streptococcus mutans inhibitor QGRVEVLYRGSWGTVC 912.937 MH2+ Inhouse_peptide NA peptide +3912 uperin 3,6 GVIDAAKKVVNVLKNLF~ 913.04885 MH2+ Inhouse_peptide NA peptide +3917 uperin 3,6 GVIDAAKKVVNVLKNLF~ 913.04885 MH2+ Inhouse_peptide NA peptide +PJ077813 ACCCCCCCC C27H47N9O10S8 913.1212 NA PeJP NA NA +PJ077814 SSCCCCCCC C27H47N9O12S7 913.139 NA PeJP NA NA +HMDB06371 p-coumaroyl-CoA C30H42N7O18P3S 913.15198 http://www.hmdb.ca/metabolites/HMDB06371 HMDB NA NA +HMDB06371 p-coumaroyl-CoA C30H42N7O18P3S 913.15198 HMDB06371 PFEM_hmdb_metabocards_official NA NA +MJ097591 4-Coumaroyl-CoA C30H42N7O18P3S 913.151987 NA MeJP NA NA +MJ097592 Benzoyl acetyl-CoA C30H42N7O18P3S 913.151987 NA MeJP NA NA +MetaCyc04298 oxocinnamoyl-CoA [] C30H42N7O18P3S1 913.151988 NA metacyc NA NA +MetaCyc04299 3-keto-3-phenylpropionyl-CoA [] C30H42N7O18P3S1 913.151988 NA metacyc NA NA +MetaCyc04300 benzoyl-acetyl-CoA [] C30H42N7O18P3S1 913.151988 NA metacyc NA NA +MetaCyc04301 coumaroyl-CoA [p-coumaryl-CoA;4-coumaroyl-CoA;] C30H42N7O18P3S1 913.151988 NA metacyc NA NA +C00223 p-Coumaroyl-CoA C30H42N7O18P3S 913.152 NA KEGG NA NA +C07118 Benzoyl acetyl-CoA C30H42N7O18P3S 913.152 NA KEGG NA NA +PJ077815 CCCCCCNY C31H47N9O11S6 913.172 NA PeJP NA NA +PJ077816 CCCCCNEH C30H47N11O12S5 913.201 NA PeJP NA NA +FL7AAAGL0038 Monardaein C42H41O23 913.20386 144606-89-3 knapsack NA NA +C08723 Monardaein C42H41O23 913.2039 NA KEGG NA NA +PJ077817 CCNDDDDD C30H43N9O20S2 913.2066 NA PeJP NA NA +PJ077818 GCCCCCHW C34H47N11O9S5 913.2162 NA PeJP NA NA +PJ077819 GSSCCCCDH C30H47N11O14S4 913.2187 NA PeJP NA NA +PJ077820 GSPCCCDDD C31H47N9O17S3 913.2253 NA PeJP NA NA +PJ077821 GPPCCCCCE C32H51N9O12S5 913.2261 NA PeJP NA NA +PJ077822 CCCNNNDE C30H47N11O16S3 913.2365 NA PeJP NA NA +PJ077823 SCCCCQMH C31H51N11O11S5 913.2373 NA PeJP NA NA +PJ077824 GGTCCCCMH C31H51N11O11S5 913.2374 NA PeJP NA NA +PJ077825 PPCCCCCW C36H51N9O9S5 913.2414 NA PeJP NA NA +PJ077826 SCNDDDDM C31H47N9O19S2 913.243 NA PeJP NA NA +PJ077827 PCCCNDEM C32H51N9O14S4 913.2439 NA PeJP NA NA +PJ077828 CCCEMYY C37H51N7O12S4 913.2479 NA PeJP NA NA +PJ077829 SCCCCCHR C30H51N13O10S5 913.2486 NA PeJP NA NA +PJ077830 GCCCNNDW C34H47N11O13S3 913.2517 NA PeJP NA NA +PJ077831 GGGGGCCCDW C34H47N11O13S3 913.2518 NA PeJP NA NA +PJ077832 GSSCCNNDD C30H47N11O18S2 913.2542 NA PeJP NA NA +PJ077833 GGGGGSSCCDD C30H47N11O18S2 913.2543 NA PeJP NA NA +PJ077834 PCCCCDDR C31H51N11O13S4 913.2551 NA PeJP NA NA +PJ077835 GSCCDDEW C35H47N9O16S2 913.2583 NA PeJP NA NA +PJ077836 GPCCCDMW C36H51N9O11S4 913.2591 NA PeJP NA NA +PJ077837 GSSSCDDDE C31H47N9O21S 913.2608 NA PeJP NA NA +PJ077838 GCNDDEMM C32H51N9O16S3 913.2616 NA PeJP NA NA +PJ077839 GPPTCCCCM C33H55N9O11S5 913.2625 NA PeJP NA NA +PJ077840 GCCCNMHF C35H51N11O10S4 913.2704 NA PeJP NA NA +PJ077841 GCCDDDMR C31H51N11O15S3 913.2729 NA PeJP NA NA +PJ077842 SCCDDWW C39H47N9O13S2 913.2735 NA PeJP NA NA +PJ077843 SCCCCKMH C32H55N11O10S5 913.2737 NA PeJP NA NA +MetaCyc04302 methylene-tetrahydrosarcinapterin [5,10-methylene-tetrahydrosarcinapterin;5,10-methylene-H4SPT;methylene-H4SPT;] C36H48N7O19P1 913.274259 NA metacyc NA NA +PJ077844 SSSCDDDW C35H47N9O18S 913.276 NA PeJP NA NA +PJ077845 CNDDMMW C36H51N9O13S3 913.2769 NA PeJP NA NA +PJ077846 SSSSSDDDD C31H47N9O23 913.2785 NA PeJP NA NA +PJ077847 SSNDDDMM C32H51N9O18S2 913.2794 NA PeJP NA NA +PJ077848 SPCCNEMM C33H55N9O13S4 913.2803 NA PeJP NA NA +PJ077849 GCCNDEHH C33H47N13O14S2 913.2807 NA PeJP NA NA +PJ077850 PCCCYYY C41H51N7O11S3 913.2809 NA PeJP NA NA +PJ077851 CMMMMMH C34H59N9O8S6 913.2811 NA PeJP NA NA +PJ077852 DDDEEEY C36H47N7O21 913.2825 NA PeJP NA NA +PJ077853 SCCCNNDR C30H51N13O14S3 913.2841 NA PeJP NA NA +PJ077854 TCCMMYY C38H55N7O11S4 913.2843 NA PeJP NA NA +PJ077855 DEEEMMM C34H55N7O16S3 913.2868 NA PeJP NA NA +PJ077856 GCNNNDDY C34H47N11O17S 913.2872 NA PeJP NA NA +PJ077857 GGGCNNDDY C34H47N11O17S 913.2873 NA PeJP NA NA +PJ077858 CCCDERW C35H51N11O12S3 913.2881 NA PeJP NA NA +PJ077859 SSCCDDER C31H51N11O17S2 913.2906 NA PeJP NA NA +PJ077860 CNDDDFW C39H47N9O15S 913.2913 NA PeJP NA NA +PJ077861 SPCCCDMR C32H55N11O12S4 913.2915 NA PeJP NA NA +PJ077862 GCCEMWW C40H51N9O10S3 913.2921 NA PeJP NA NA +PJ077863 GSNDDDEY C35H47N9O20 913.2938 NA PeJP NA NA +PJ077864 GSSCDEMW C36H51N9O15S2 913.2946 NA PeJP NA NA +PJ077865 GGGPCDDMY C36H51N9O15S2 913.2947 NA PeJP NA NA +PJ077866 GSPCCMMW C37H55N9O10S4 913.2955 NA PeJP NA NA +PJ077867 CCNDHHW C37H47N13O11S2 913.296 NA PeJP NA NA +PJ077868 GSSSSDDEM C32H51N9O20S 913.2971 NA PeJP NA NA +PJ077869 GSNDEMMM C33H55N9O15S3 913.298 NA PeJP NA NA +PJ077870 SSCNDDHH C33H47N13O16S 913.2985 NA PeJP NA NA +PJ077871 GCDMYYY C41H51N7O13S2 913.2987 NA PeJP NA NA +PJ077872 GPCNMMMM C34H59N9O10S5 913.2989 NA PeJP NA NA +PJ077873 SPCCCQHH C34H51N13O11S3 913.2994 NA PeJP NA NA +PJ077874 DDEEEMF C37H51N7O18S 913.3012 NA PeJP NA NA +PJ077875 GCCCNQMR C31H55N13O11S4 913.3027 NA PeJP NA NA +PJ077876 SPNDDDDH C34H47N11O19 913.305 NA PeJP NA NA +PJ077877 SSSCCNQW C35H51N11O14S2 913.3059 NA PeJP NA NA +PJ077878 ACCCCKHF C36H55N11O9S4 913.3068 NA PeJP NA NA +PJ077879 CCMWWW C44H51N9O7S3 913.3074 NA PeJP NA NA +PJ077880 SSSSSCNNE C31H51N11O19S 913.3084 NA PeJP NA NA +PJ077881 SNDDDYW C39H47N9O17 913.309 NA PeJP NA NA +PJ077882 ASCCDEMR C32H55N11O14S3 913.3092 NA PeJP NA NA +PJ077883 GSCDDMMR C32H55N11O14S3 913.3093 NA PeJP NA NA +PJ077884 SSCDMWW C40H51N9O12S2 913.3099 NA PeJP NA NA +PJ077885 APCCCMMR C33H59N11O9S5 913.3101 NA PeJP NA NA +PJ077886 SSSSDDMW C36H51N9O17S 913.3124 NA PeJP NA NA +PJ077887 SNDMMMW C37H55N9O12S3 913.3133 NA PeJP NA NA +PJ077888 GCCCCNRR C30H55N15O10S4 913.314 NA PeJP NA NA +PJ077889 CCMHHHF C38H51N13O8S3 913.3146 NA PeJP NA NA +PJ077890 SSSSSSDEE C32H51N9O22 913.3149 NA PeJP NA NA +PJ077891 SSSNEEMM C33H55N9O17S2 913.3158 NA PeJP NA NA +PJ077892 GNNNDDEH C33H47N13O18 913.3162 NA PeJP NA NA +PJ077893 GGGNNDDEH C33H47N13O18 913.3163 NA PeJP NA NA +PJ077894 SSCEYYY C41H51N7O15S 913.3164 NA PeJP NA NA +PJ077895 NQEMMMM C34H59N9O12S4 913.3166 NA PeJP NA NA +PJ077896 GGGAEMMMM C34H59N9O12S4 913.3167 NA PeJP NA NA +PJ077897 GSCNEMHH C34H51N13O13S2 913.3171 NA PeJP NA NA +PJ077898 GCMMFYY C42H55N7O10S3 913.3173 NA PeJP NA NA +PJ077899 SEEEEEY C37H51N7O20 913.3189 NA PeJP NA NA +PJ077900 PDEEMMY C38H55N7O15S2 913.3198 NA PeJP NA NA +PJ077901 DDDEHHF C38H47N11O16 913.3203 NA PeJP NA NA +PJ077902 SSCCNNMR C31H55N13O13S3 913.3205 NA PeJP NA NA +PJ077903 CCNNQFW C39H51N11O11S2 913.3211 NA PeJP NA NA +PJ077904 GGGGGACCFW C39H51N11O11S2 913.3212 NA PeJP NA NA +PJ077905 GSSSSSCNW C35H51N11O16S 913.3236 NA PeJP NA NA +PJ077906 GGGGGGGSDMY C35H51N11O16S 913.3237 NA PeJP NA NA +PJ077907 SCCEMRW C36H55N11O11S3 913.3245 NA PeJP NA NA +PJ077908 CDEHHHH C36H47N15O12S 913.325 NA PeJP NA NA +PJ077909 GPCCYWW C44H51N9O9S2 913.3251 NA PeJP NA NA +PJ077910 GSSSSSSSND C31H51N11O21 913.3261 NA PeJP NA NA +PJ077911 SSSCDEMR C32H55N11O16S2 913.327 NA PeJP NA NA +PJ077912 ACEEHYY C40H51N9O14S 913.3276 NA PeJP NA NA +PJ077913 GNDEMYW C40H51N9O14S 913.3277 NA PeJP NA NA +PJ077914 CNEMMMR C33H59N11O11S4 913.3279 NA PeJP NA NA +PJ077915 GSCCDHHR C33H51N15O12S2 913.3284 NA PeJP NA NA +PJ077916 GTCMMWW C41H55N9O9S3 913.3285 NA PeJP NA NA +PJ077917 GSTDDQEY C36H51N9O19 913.3301 NA PeJP NA NA +PJ077918 GSSNEEEY C36H51N9O19 913.3302 NA PeJP NA NA +PJ077919 GSSSEMMW C37H55N9O14S2 913.331 NA PeJP NA NA +PJ077920 NNNDDHW C37H47N13O15 913.3315 NA PeJP NA NA +PJ077921 GCDFFYY C45H51N7O12S 913.3317 NA PeJP NA NA +PJ077922 GQMMMMW C38H59N9O9S4 913.3319 NA PeJP NA NA +PJ077923 SCNMHHW C38H51N13O10S2 913.3324 NA PeJP NA NA +PJ077924 GSSSSTEEM C33H55N9O19S 913.3335 NA PeJP NA NA +PJ077925 PDDEEFY C41H51N7O17 913.3342 NA PeJP NA NA +MJ097593 Aeruginoguanidines; Aeruginoguanidine 98B C34H59N9O14S3 913.334359 NA MeJP NA NA +PJ077926 GSTQEMMM C34H59N9O14S3 913.3344 NA PeJP NA NA +PJ077927 GPCDDDHR C34H51N13O15S 913.3349 NA PeJP NA NA +PJ077928 GSMMYYY C42H55N7O12S2 913.335 NA PeJP NA NA +PJ077929 APCCKMMM C35H63N9O9S5 913.3353 NA PeJP NA NA +PJ077930 NNMMMHH C35H55N13O10S3 913.3357 NA PeJP NA NA +PJ077931 GGGGMMMHH C35H55N13O10S3 913.3358 NA PeJP NA NA +PJ077932 VDEEEMY C38H55N7O17S 913.3376 NA PeJP NA NA +PJ077933 GSSSSCCQR C31H55N13O15S2 913.3382 NA PeJP NA NA +PJ077934 PEEMMMF C39H59N7O12S3 913.3384 NA PeJP NA NA +PJ077935 GCDDRYW C39H51N11O13S 913.3389 NA PeJP NA NA +PJ077936 CCDMMRR C32H59N13O10S4 913.3391 NA PeJP NA NA +PJ077937 PCCCFRW C40H55N11O8S3 913.3398 NA PeJP NA NA +PJ077938 GSSDDDRY C35H51N11O18 913.3414 NA PeJP NA NA +PJ077939 LEEMMMM C36H63N7O12S4 913.3418 NA PeJP NA NA +PJ077940 NNNQMMY C36H55N11O13S2 913.3422 NA PeJP NA NA +PJ077941 SSSCCNKW C36H55N11O13S2 913.3423 NA PeJP NA NA +PJ077942 NDMYWW C44H51N9O11S 913.3429 NA PeJP NA NA +PJ077943 GCMMMRW C37H59N11O8S4 913.3431 NA PeJP NA NA +PJ077944 SSSSSSNQM C32H55N11O18S 913.3447 NA PeJP NA NA +PJ077945 GGSSSSSSQM C32H55N11O18S 913.3448 NA PeJP NA NA +PJ077946 SSNEEYW C40H51N9O16 913.3454 NA PeJP NA NA +PJ077947 GSSDMMMR C33H59N11O13S3 913.3456 NA PeJP NA NA +PJ077948 GNNNNNMH C33H51N15O14S 913.3461 NA PeJP NA NA +PJ077949 SSSMMWW C41H55N9O11S2 913.3463 NA PeJP NA NA +PJ077950 CCQMHHR C34H55N15O9S3 913.347 NA PeJP NA NA +PJ077951 SSSSTEMW C37H55N9O16S 913.3488 NA PeJP NA NA +PJ077952 NEYYYY C45H51N7O14 913.3494 NA PeJP NA NA +PJ077953 STQMMMW C38H59N9O11S3 913.3496 NA PeJP NA NA +PJ077954 GGTTMMMW C38H59N9O11S3 913.3497 NA PeJP NA NA +PJ077955 GSSTCHHW C38H51N13O12S 913.3501 NA PeJP NA NA +PJ077956 GCMFFFY C46H55N7O9S2 913.3503 NA PeJP NA NA +PJ077957 SSSSSTTEE C33H55N9O21 913.3513 NA PeJP NA NA +PJ077958 SSTTQEMM C34H59N9O16S2 913.3521 NA PeJP NA NA +PJ077959 SSSDKEMM C34H59N9O16S2 913.3522 NA PeJP NA NA +PJ077960 NDDEEHR C34H51N13O17 913.3526 NA PeJP NA NA +PJ077961 GGGGGGGTEEH C34H51N13O17 913.3527 NA PeJP NA NA +PJ077962 SSTMYYY C42H55N7O14S 913.3528 NA PeJP NA NA +PJ077963 NKEMMMM C35H63N9O11S4 913.353 NA PeJP NA NA +PJ077964 CNNNMRY C35H55N13O12S2 913.3535 NA PeJP NA NA +PJ077965 GPCEHWW C43H51N11O10S 913.3541 NA PeJP NA NA +PJ077966 SSSSSSCNR C31H55N13O17S 913.356 NA PeJP NA NA +PJ077967 VEEEMMF C39H59N7O14S2 913.3562 NA PeJP NA NA +PJ077968 GSSSNNYW C39H51N11O15 913.3566 NA PeJP NA NA +PJ077969 GGGGGSSSYW C39H51N11O15 913.3567 NA PeJP NA NA +PJ077970 SSCCCQKR C32H59N13O12S3 913.3569 NA PeJP NA NA +PJ077971 SPCCRYW C40H55N11O10S2 913.3575 NA PeJP NA NA +PJ077972 ACYWWW C48H51N9O8S 913.3582 NA PeJP NA NA +MJ097594 Antibiotic SQ 28516 C36H55N11O15S 913.35998 NA MeJP NA NA +PJ077973 SNDEMRY C36H55N11O15S 913.36 NA PeJP NA NA +PJ077974 GSSEYWW C44H51N9O13 913.3607 NA PeJP NA NA +PJ077975 STCMMRW C37H59N11O10S3 913.3609 NA PeJP NA NA +PJ077976 SEMHHHH C37H51N15O11S 913.3614 NA PeJP NA NA +PJ077977 NMMFWW C45H55N9O8S2 913.3615 NA PeJP NA NA +PJ077978 GSSSSSSSTQ C32H55N11O20 913.3625 NA PeJP NA NA +PJ077979 SSSSEMMR C33H59N11O15S2 913.3634 NA PeJP NA NA +PJ077980 SSNNNNQH C33H51N15O16 913.3638 NA PeJP NA NA +PJ077981 GSNNDDHR C33H51N15O16 913.3639 NA PeJP NA NA +PJ077982 GTQEMYW C41H55N9O13S 913.364 NA PeJP NA NA +PJ077983 GPPPDDMW C41H55N9O13S 913.3641 NA PeJP NA NA +PJ077984 SQMMMMR C34H63N11O10S4 913.3642 NA PeJP NA NA +PJ077985 TNMMMMR C34H63N11O10S4 913.3643 NA PeJP NA NA +PJ077986 GYYYYW C49H51N7O11 913.3647 NA PeJP NA NA +PJ077987 GGGGAPCCHR C34H55N15O11S2 913.3648 NA PeJP NA NA +PJ077988 PCCKMFW C42H59N9O8S3 913.3649 NA PeJP NA NA +PJ077989 GCQHHFW C42H51N13O9S 913.3654 NA PeJP NA NA +PJ077990 GSSDKEEY C37H55N9O18 913.3665 NA PeJP NA NA +PJ077991 GPPQEEEE C37H55N9O18 913.3666 NA PeJP NA NA +PJ077992 GSTTTMMW C38H59N9O13S2 913.3674 NA PeJP NA NA +PJ077993 GDDEHRW C38H51N13O14 913.3679 NA PeJP NA NA +PJ077994 QMFYYY C46H55N7O11S 913.368 NA PeJP NA NA +PJ077995 GAMFYYY C46H55N7O11S 913.3681 NA PeJP NA NA +PJ077996 GKMMMMW C39H63N9O8S4 913.3683 NA PeJP NA NA +PJ077997 TCCKHHW C39H55N13O9S2 913.3688 NA PeJP NA NA +PJ077998 PCHWWW C47H51N11O7S 913.3694 NA PeJP NA NA +PJ077999 SSSSSSLEM C34H59N9O18S 913.3699 NA PeJP NA NA +PJ078000 PVDEEYY C42H55N7O16 913.3706 NA PeJP NA NA +PJ078001 GSTKEMMM C35H63N9O13S3 913.3708 NA PeJP NA NA +PJ078002 GSSCNQRY C35H55N13O14S 913.3712 NA PeJP NA NA +PJ078003 SCDDRRY C35H55N13O14S 913.3713 NA PeJP NA NA +PJ078004 PPEMMFY C43H59N7O11S2 913.3714 NA PeJP NA NA +PJ078005 QEEHWW C43H51N11O12 913.3719 NA PeJP NA NA +PJ078006 APPCCMHR C36H59N13O9S3 913.3721 NA PeJP NA NA +PJ078007 TLEEEMY C39H59N7O16S 913.3739 NA PeJP NA NA +PJ078008 GSSSSCCKR C32H59N13O14S2 913.3746 NA PeJP NA NA +PJ078009 PLEMMMY C40H63N7O11S3 913.3748 NA PeJP NA NA +PJ078010 GSDMRYW C40H55N11O12S 913.3753 NA PeJP NA NA +PJ078011 SCMMMRR C33H63N13O9S4 913.3755 NA PeJP NA NA +PJ078012 SSYWWW C48H51N9O10 913.3759 NA PeJP NA NA +PJ078013 PCHHHHF C41H51N15O8S 913.3766 NA PeJP NA NA +PJ078014 GSSSEERY C36H55N11O17 913.3778 NA PeJP NA NA +PJ078015 GQEMMRY C37H59N11O12S2 913.3786 NA PeJP NA NA +PJ078016 GGAEMMRY C37H59N11O12S2 913.3787 NA PeJP NA NA +PJ078017 GSPNEHHH C37H51N15O13 913.3791 NA PeJP NA NA +PJ078018 TQMYWW C45H55N9O10S 913.3793 NA PeJP NA NA +PJ078019 CLMHHHH C38H55N15O8S2 913.38 NA PeJP NA NA +PJ078020 SSSSSSNKM C33H59N11O17S 913.3811 NA PeJP NA NA +PJ078021 SSDKEYW C41H55N9O15 913.3818 NA PeJP NA NA +PJ078022 GSTTMMMR C34H63N11O12S3 913.382 NA PeJP NA NA +PJ078023 SSSTCHHR C34H55N15O13S 913.3825 NA PeJP NA NA +PJ078024 GVQMMYW C42H59N9O10S2 913.3827 NA PeJP NA NA +PJ078025 DDHRWW C42H51N13O11 913.3831 NA PeJP NA NA +PJ078026 GGGGGTHWW C42H51N13O11 913.3832 NA PeJP NA NA +PJ078027 GCFFFFF C50H55N7O8S 913.3833 NA PeJP NA NA +PJ078028 CCKMHHR C35H59N15O8S3 913.3834 NA PeJP NA NA +PJ078029 SSTTTTMW C38H59N9O15S 913.3852 NA PeJP NA NA +PJ078030 DKYYYY C46H55N7O13 913.3858 NA PeJP NA NA +PJ078031 STKMMMW C39H63N9O10S3 913.386 NA PeJP NA NA +PJ078032 GGGALMMMF C39H63N9O10S3 913.3861 NA PeJP NA NA +PJ078033 SPCEHRW C39H55N13O11S 913.3865 NA PeJP NA NA +PJ078034 AEHWWW C47H51N11O9 913.3872 NA PeJP NA NA +PJ078035 SSTTTTTTD C34H59N9O20 913.3876 NA PeJP NA NA +PJ078036 SSSTTTTTE C34H59N9O20 913.3877 NA PeJP NA NA +PJ078037 SSTTKEMM C35H63N9O15S2 913.3885 NA PeJP NA NA +PJ078038 SSSSNNRY C35H55N13O16 913.389 NA PeJP NA NA +PJ078039 GGGGGGGGGGPLD C35H55N13O16 913.3891 NA PeJP NA NA +PJ078040 PVEEMFY C43H59N7O13S 913.3892 NA PeJP NA NA +PJ078041 DKKMMMM C36H67N9O10S4 913.3894 NA PeJP NA NA +PJ078042 GCEMRRY C36H59N13O11S2 913.3899 NA PeJP NA NA +PJ078043 NNQQHHH C36H51N17O12 913.3903 NA PeJP NA NA +PJ078044 GGNQQHHH C36H51N17O12 913.3904 NA PeJP NA NA +PJ078045 TCRYWW C44H55N11O9S 913.3905 NA PeJP NA NA +PJ078046 VLEEMMY C40H63N7O13S2 913.3926 NA PeJP NA NA +PJ078047 SSSERYW C40H55N11O14 913.393 NA PeJP NA NA +PJ078048 GGGGGPPTEW C40H55N11O14 913.3931 NA PeJP NA NA +PJ078049 SSCCCKKR C33H63N13O11S3 913.3933 NA PeJP NA NA +PJ078050 CNNDHRR C33H55N17O12S 913.3937 NA PeJP NA NA +PJ078051 QMMRYW C41H59N11O9S2 913.3939 NA PeJP NA NA +PJ078052 SPNHHHW C41H51N15O10 913.3944 NA PeJP NA NA +PJ078053 MHFFFW C49H55N9O7S 913.3946 NA PeJP NA NA +PJ078054 STQEMRY C37H59N11O14S 913.3964 NA PeJP NA NA +PJ078055 GTTTYWW C45H55N9O12 913.397 NA PeJP NA NA +PJ078056 APPEEWW C45H55N9O12 913.3971 NA PeJP NA NA +PJ078057 AQMMMFR C38H63N11O9S3 913.3973 NA PeJP NA NA +PJ078058 GNNMHRW C38H55N15O10S 913.3977 NA PeJP NA NA +PJ078059 GGGNMHRW C38H55N15O10S 913.3978 NA PeJP NA NA +PJ078060 GSSSSSSSTK C33H59N11O19 913.3989 NA PeJP NA NA +PJ078061 SSTTTMMR C34H63N11O14S2 913.3998 NA PeJP NA NA +PJ078062 GSSNQEHR C34H55N15O15 913.4002 NA PeJP NA NA +PJ078063 SDDEHRR C34H55N15O15 913.4003 NA PeJP NA NA +PJ078064 GTKEMYW C42H59N9O12S 913.4004 NA PeJP NA NA +PJ078065 SKMMMMR C35H67N11O9S4 913.4006 NA PeJP NA NA +PJ078066 ACCCKKKM C35H67N11O9S4 913.4007 NA PeJP NA NA +PJ078067 QFFFYY C50H55N7O10 913.4011 NA PeJP NA NA +PJ078068 GCKHHFW C43H55N13O8S 913.4018 NA PeJP NA NA +PJ078069 GSTTKEEY C38H59N9O17 913.4029 NA PeJP NA NA +PJ078070 VNKEMMY C39H63N9O12S2 913.4038 NA PeJP NA NA +PJ078071 GTEEHRW C39H55N13O13 913.4043 NA PeJP NA NA +PJ078072 KMFYYY C47H59N7O10S 913.4044 NA PeJP NA NA +PJ078073 PPEMFFF C47H59N7O10S 913.4045 NA PeJP NA NA +PJ078074 CMRRYW C40H59N13O8S2 913.4051 NA PeJP NA NA +PJ078075 SSSSTTTLM C35H63N9O17S 913.4063 NA PeJP NA NA +PJ078076 PTLEEYY C43H59N7O15 913.4069 NA PeJP NA NA +PJ078077 VVEEEFY C43H59N7O15 913.407 NA PeJP NA NA +PJ078078 SSSLKMMM C36H67N9O12S3 913.4072 NA PeJP NA NA +PJ078079 SSDMRRY C36H59N13O13S 913.4076 NA PeJP NA NA +PJ078080 GGVEEMHR C36H59N13O13S 913.4077 NA PeJP NA NA +PJ078081 PPLMMYY C44H63N7O10S2 913.4078 NA PeJP NA NA +PJ078082 KEEHWW C44H55N11O11 913.4083 NA PeJP NA NA +PJ078083 ACMMFRR C37H63N13O8S3 913.4085 NA PeJP NA NA +PJ078084 PCQHHHR C37H55N17O9S 913.409 NA PeJP NA NA +PJ078085 LLEMMMF C41H67N7O10S3 913.4112 NA PeJP NA NA +PJ078086 ASTMRYW C41H59N11O11S 913.4116 NA PeJP NA NA +PJ078087 GTTMRYW C41H59N11O11S 913.4117 NA PeJP NA NA +PJ078088 VNFYWW C49H55N9O9 913.4123 NA PeJP NA NA +PJ078089 SSSSQQKY C37H59N11O16 913.4141 NA PeJP NA NA +PJ078090 GSTTTERY C37H59N11O16 913.4142 NA PeJP NA NA +PJ078091 GKEMMRY C38H63N11O11S2 913.415 NA PeJP NA NA +PJ078092 GGGAPPPCKM C38H63N11O11S2 913.4151 NA PeJP NA NA +PJ078093 SSNQHRW C38H55N15O12 913.4155 NA PeJP NA NA +PJ078094 TKMYWW C46H59N9O9S 913.4157 NA PeJP NA NA +PJ078095 SSSSSTCKK C34H63N11O16S 913.4175 NA PeJP NA NA +PJ078096 STTKEYW C42H59N9O14 913.4182 NA PeJP NA NA +PJ078097 SSCCKKKM C35H67N11O11S3 913.4184 NA PeJP NA NA +PJ078098 GEEMHRR C35H59N15O12S 913.4189 NA PeJP NA NA +PJ078099 ACLKMYW C43H63N9O9S2 913.419 NA PeJP NA NA +PJ078100 GVKMMYW C43H63N9O9S2 913.4191 NA PeJP NA NA +PJ078101 TEHRWW C43H55N13O10 913.4195 NA PeJP NA NA +PJ078102 SSPTTKMY C39H63N9O14S 913.4215 NA PeJP NA NA +PJ078103 SKKEEMY C39H63N9O14S 913.4216 NA PeJP NA NA +MJ097595 Yakusimycin C C47H59N7O12 913.42217 NA MeJP NA NA +PJ078104 PPVEFYY C47H59N7O12 913.4222 NA PeJP NA NA +PJ078105 VQKMMMF C40H67N9O9S3 913.4224 NA PeJP NA NA +PJ078106 GVEMHRW C40H59N13O10S 913.4229 NA PeJP NA NA +PJ078107 SLHWWW C48H55N11O8 913.4235 NA PeJP NA NA +PJ078108 STTTTTTTT C35H63N9O19 913.424 NA PeJP NA NA +PJ078109 TTTTTKMM C36H67N9O14S2 913.4249 NA PeJP NA NA +PJ078110 SKEEEHR C36H59N13O15 913.4254 NA PeJP NA NA +MJ097596 Nodulapeptin B C44H63N7O12S 913.425541 NA MeJP NA NA +PJ078111 PVLEMYY C44H63N7O12S 913.4256 NA PeJP NA NA +PJ078112 GTMMRRY C37H63N13O10S2 913.4263 NA PeJP NA NA +PJ078113 AQEHHHR C37H55N17O11 913.4267 NA PeJP NA NA +PJ078114 GAAEHHHR C37H55N17O11 913.4268 NA PeJP NA NA +PJ078115 AALMHWW C45H59N11O8S 913.4269 NA PeJP NA NA +PJ078116 STTTRYW C41H59N11O13 913.4294 NA PeJP NA NA +PJ078117 SNNMHRR C34H59N17O11S 913.4301 NA PeJP NA NA +PJ078118 KMMRYW C42H63N11O8S2 913.4303 NA PeJP NA NA +PJ078119 GLQHHHW C42H55N15O9 913.4308 NA PeJP NA NA +PJ078120 STKEMRY C38H63N11O13S 913.4328 NA PeJP NA NA +PJ078121 SPPLEWW C46H59N9O11 913.4334 NA PeJP NA NA +PJ078122 GPPPVDFW C46H59N9O11 913.4335 NA PeJP NA NA +PJ078123 AKMMMFR C39H67N11O8S3 913.4337 NA PeJP NA NA +PJ078124 EMHRRW C39H59N15O9S 913.4341 NA PeJP NA NA +PJ078125 STEEHRR C35H59N15O14 913.4366 NA PeJP NA NA +PJ078126 GGGGPEERR C35H59N15O14 913.4367 NA PeJP NA NA +PJ078127 SSLKMYW C43H63N9O11S 913.4368 NA PeJP NA NA +PJ078128 KFFFYY C51H59N7O9 913.4375 NA PeJP NA NA +PJ078129 GDHHHRR C36H55N19O10 913.438 NA PeJP NA NA +PJ078130 VMHRWW C44H59N13O7S 913.4382 NA PeJP NA NA +PJ078131 SSSTLKEY C39H63N9O16 913.4393 NA PeJP NA NA +PJ078132 VDKKMMY C40H67N9O11S2 913.4402 NA PeJP NA NA +PJ078133 SSLEHRW C40H59N13O12 913.4406 NA PeJP NA NA +PJ078134 VTTDHRW C40H59N13O12 913.4407 NA PeJP NA NA +PJ078135 PPLMFFY C48H63N7O9S 913.4408 NA PeJP NA NA +PJ078136 AAHHHRW C41H55N17O8 913.442 NA PeJP NA NA +PJ078137 VVLEEYY C44H63N7O14 913.4433 NA PeJP NA NA +PJ078138 STTMRRY C37H63N13O12S 913.444 NA PeJP NA NA +PJ078139 GGGGGGPPCKK C37H63N13O12S 913.4441 NA PeJP NA NA +PJ078140 PLLMMFY C45H67N7O9S2 913.4442 NA PeJP NA NA +PJ078141 ATTLHWW C45H59N11O10 913.4447 NA PeJP NA NA +PJ078142 PCKHHHR C38H59N17O8S 913.4454 NA PeJP NA NA +PJ078143 LLLMMMY C42H71N7O9S3 913.4476 NA PeJP NA NA +PJ078144 GSSSQHRR C34H59N17O13 913.4479 NA PeJP NA NA +PJ078145 ALKEMHW C42H63N11O10S 913.448 NA PeJP NA NA +PJ078146 PPVEMRW C42H63N11O10S 913.4481 NA PeJP NA NA +PJ078147 TKFFWW C50H59N9O8 913.4487 NA PeJP NA NA +PJ078148 SSSTTLRY C38H63N11O15 913.4505 NA PeJP NA NA +PJ078149 AAPLEEER C38H63N11O15 913.4506 NA PeJP NA NA +PJ078150 SVKMMRY C39H67N11O10S2 913.4514 NA PeJP NA NA +PJ078151 GPNERRW C39H59N15O11 913.4519 NA PeJP NA NA +PJ078152 PPVVMWW C47H63N9O8S 913.4521 NA PeJP NA NA +PJ078153 PLLQEEW C43H63N9O13 913.4546 NA PeJP NA NA +PJ078154 SQQKMHR C36H63N15O11S 913.4552 NA PeJP NA NA +PJ078155 SVEMHRR C36H63N15O11S 913.4553 NA PeJP NA NA +PJ078156 AAPQRWW C44H59N13O9 913.4559 NA PeJP NA NA +PJ078157 GTTTLKMY C40H67N9O13S 913.4579 NA PeJP NA NA +PJ078158 PPVVDKEM C40H67N9O13S 913.458 NA PeJP NA NA +PJ078159 PPVLYYY C48H63N7O11 913.4586 NA PeJP NA NA +PJ078160 VKKMMMF C41H71N9O8S3 913.4588 NA PeJP NA NA +PJ078161 ATLMHRW C41H63N13O9S 913.4593 NA PeJP NA NA +PJ078162 PVEEERR C37H63N13O14 913.4618 NA PeJP NA NA +PJ078163 VLLEMFY C45H67N7O11S 913.462 NA PeJP NA NA +PJ078164 VLQMMHR C38H67N13O9S2 913.4627 NA PeJP NA NA +PJ078165 GNQHFRR C38H59N17O10 913.4631 NA PeJP NA NA +PJ078166 KMFFRW C46H63N11O7S 913.4633 NA PeJP NA NA +PJ078167 PVVEERW C42H63N11O12 913.4658 NA PeJP NA NA +PJ078168 SCQKHRR C35H63N17O10S 913.4665 NA PeJP NA NA +PJ078169 PNRRWW C43H59N15O8 913.4671 NA PeJP NA NA +PJ078170 GGPRRWW C43H59N15O8 913.4672 NA PeJP NA NA +PJ078171 GSTCKKKY C39H67N11O12S 913.4692 NA PeJP NA NA +MJ097597 Kahalalide C C47H63N9O10 913.469789 NA MeJP NA NA +PJ078172 APLLEWW C47H63N9O10 913.4698 NA PeJP NA NA +PJ078173 GCKKHRW C40H63N15O8S 913.4705 NA PeJP NA NA +PJ078174 PNDKERR C36H63N15O13 913.473 NA PeJP NA NA +PJ078175 GGGGGGGGGLLR C36H63N15O13 913.4731 NA PeJP NA NA +PJ078176 GPPTLLMW C44H67N9O10S 913.4732 NA PeJP NA NA +PJ078177 ALMMHRR C37H67N15O8S2 913.4739 NA PeJP NA NA +PJ078178 ATHHHRR C37H59N19O9 913.4744 NA PeJP NA NA +PJ078179 STTTTLKY C40H67N9O15 913.4757 NA PeJP NA NA +PJ078180 TLKKMMY C41H71N9O10S2 913.4766 NA PeJP NA NA +PJ078181 TTTLHRW C41H63N13O11 913.477 NA PeJP NA NA +PJ078182 GAAPKERW C41H63N13O11 913.4771 NA PeJP NA NA +PJ078183 PLLMFFF C49H67N7O8S 913.4772 NA PeJP NA NA +PJ078184 TLLLEYY C45H67N7O13 913.4797 NA PeJP NA NA +PJ078185 TLKEMHR C38H67N13O11S 913.4804 NA PeJP NA NA +PJ078186 LLLMMFF C46H71N7O8S2 913.4806 NA PeJP NA NA +PJ078187 GPLQKWW C46H63N11O9 913.4811 NA PeJP NA NA +MJ097598 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3-Pyridinecarbonyl), 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H71NO15 913.48237 NA MeJP NA NA +MJ097599 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3-Pyridinecarbonyl), 3-O-[?-L-cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H71NO15 913.48237 NA MeJP NA NA +PJ078188 AQQQQRR C35H63N17O12 913.4842 NA PeJP NA NA +PJ078189 SPNERRR C35H63N17O12 913.4843 NA PeJP NA NA +PJ078190 SLLKMHW C43H67N11O9S 913.4844 NA PeJP NA NA +PJ078191 SSSSKKKY C39H67N11O14 913.4869 NA PeJP NA NA +PJ078192 GGGPLKKEE C39H67N11O14 913.487 NA PeJP NA NA +PJ078193 GPPLLMMR C40H71N11O9S2 913.4878 NA PeJP NA NA +PJ078194 GPDKRRW C40H63N15O10 913.4883 NA PeJP NA NA +PJ078195 SPPTTLLW C44H67N9O12 913.4909 NA PeJP NA NA +PJ078196 PLLKEEW C44H67N9O12 913.491 NA PeJP NA NA +PJ078197 TTLMHRR C37H67N15O10S 913.4916 NA PeJP NA NA +PJ078198 GGPLQMRR C37H67N15O10S 913.4917 NA PeJP NA NA +PJ078199 AAPKRWW C45H63N13O8 913.4923 NA PeJP NA NA +PJ078200 SPPLLKEM C41H71N9O12S 913.4943 NA PeJP NA NA +PJ078201 PVLLFYY C49H67N7O10 913.495 NA PeJP NA NA +PJ078202 GNQQRRR C34H63N19O11 913.4955 NA PeJP NA NA +PJ078203 PPCKKRW C42H67N13O8S 913.4957 NA PeJP NA NA +PJ078204 SSTTLLHR C38H67N13O13 913.4982 NA PeJP NA NA +PJ078205 VLLLMYY C46H71N7O10S 913.4983 NA PeJP NA NA +PJ078206 VLKMMHR C39H71N13O8S2 913.499 NA PeJP NA NA +PJ078207 GSPRRRW C39H63N17O9 913.4995 NA PeJP NA NA +PJ078208 PTLLERW C43H67N11O11 913.5022 NA PeJP NA NA +PJ078209 APQMRRR C36H67N17O9S 913.5029 NA PeJP NA NA +PJ078210 LHFRRW C44H63N15O7 913.5035 NA PeJP NA NA +PJ078211 GPVLLEMR C40H71N11O11S 913.5056 NA PeJP NA NA +MJ097600 Polycarponin A C48H67N9O9 913.506174 NA MeJP NA NA +PJ078212 SPLLLWW C48H67N9O9 913.5062 NA PeJP NA NA +PJ078213 PTQKERR C37H67N15O12 913.5094 NA PeJP NA NA +PJ078214 AAPLLLMW C45H71N9O9S 913.5096 NA PeJP NA NA +PJ078215 SPVLLKEE C41H71N9O14 913.5121 NA PeJP NA NA +PJ078216 PPVVLKMM C42H75N9O9S2 913.513 NA PeJP NA NA +PJ078217 APKKERW C42H67N13O10 913.5134 NA PeJP NA NA +PJ078218 APCRRRR C35H67N19O8S 913.5141 NA PeJP NA NA +PJ078219 PLLEMRR C39H71N13O10S 913.5168 NA PeJP NA NA +PJ078220 VVVKHFW C47H67N11O8 913.5174 NA PeJP NA NA +PJ078221 GPLKKWW C47H67N11O8 913.5175 NA PeJP NA NA +PJ078222 GLQERRR C36H67N17O11 913.5206 NA PeJP NA NA +PJ078223 GGALERRR C36H67N17O11 913.5207 NA PeJP NA NA +PJ078224 PVLLMRW C44H71N11O8S 913.5208 NA PeJP NA NA +PJ078225 AALLLEER C40H71N11O13 913.5233 NA PeJP NA NA +PJ078226 APTKRRW C41H67N15O9 913.5247 NA PeJP NA NA +PJ078227 LLLLQEW C45H71N9O11 913.5273 NA PeJP NA NA +PJ078228 GALLLLEW C45H71N9O11 913.5274 NA PeJP NA NA +PJ078229 PVQKMRR C38H71N15O9S 913.528 NA PeJP NA NA +PJ078230 APLLLKEM C42H75N9O11S 913.5307 NA PeJP NA NA +PJ078231 VLLLFFY C50H71N7O9 913.5314 NA PeJP NA NA +PJ078232 AAERRRR C35H67N19O10 913.5319 NA PeJP NA NA +PJ078233 LLQQKER C39H71N13O12 913.5345 NA PeJP NA NA +PJ078234 VLLEERR C39H71N13O12 913.5346 NA PeJP NA NA +PJ078235 LQRRRW C40H67N17O8 913.5359 NA PeJP NA NA +PJ078236 VVLLERW C44H71N11O10 913.5386 NA PeJP NA NA +PJ078237 APKMRRR C37H71N17O8S 913.5393 NA PeJP NA NA +MJ097601 Antibiotic A 661I C47H79NO16 913.539885 NA MeJP NA NA +MetaCyc04303 tylosin [] C47H79N1O16 913.539885 1401-69-0 metacyc NA NA +PJ078238 APTLLLMR C41H75N11O10S 913.542 NA PeJP NA NA +PJ078239 ALLLLWW C49H71N9O8 913.5426 NA PeJP NA NA +PJ078240 DRRRRR C34H67N21O9 913.5431 NA PeJP NA NA +PJ078241 PTKKERR C38H71N15O11 913.5458 NA PeJP NA NA +PJ078242 GLLLLKEE C42H75N9O13 913.5485 NA PeJP NA NA +PJ078243 SPLKKRW C43H71N13O9 913.5498 NA PeJP NA NA +PJ078244 AAPLKKMR C40H75N13O9S 913.5532 NA PeJP NA NA +C07909 Sirolimus C51H79NO13 913.5551 NA KEGG NA NA +MJ097602 Rapamycin C51H79NO13 913.555141 NA MeJP NA NA +PJ078245 GLKERRR C37H71N17O10 913.557 NA PeJP NA NA +PJ078246 GTLLLLER C41H75N11O12 913.5597 NA PeJP NA NA +PJ078247 GVLKRRW C42H71N15O8 913.5611 NA PeJP NA NA +PJ078248 LLLLKEW C46H75N9O10 913.5637 NA PeJP NA NA +PJ078249 PVKKMRR C39H75N15O8S 913.5644 NA PeJP NA NA +PJ078250 SPLLLLKM C43H79N9O10S 913.5671 NA PeJP NA NA +PJ078251 GTLRRRR C36H71N19O9 913.5683 NA PeJP NA NA +PJ078252 LLQKKER C40H75N13O11 913.5709 NA PeJP NA NA +PJ078253 GALLKKER C40H75N13O11 913.571 NA PeJP NA NA +PJ078254 LKRRRW C41H71N17O7 913.5723 NA PeJP NA NA +PJ078255 TLLLLRW C45H75N11O9 913.575 NA PeJP NA NA +PJ078256 GVLLLLMR C42H79N11O9S 913.5783 NA PeJP NA NA +PJ078257 VVKKERR C39H75N15O10 913.5822 NA PeJP NA NA +PJ078258 SVLLLLKE C43H79N9O12 913.5849 NA PeJP NA NA +PJ078259 ALLKKRW C44H75N13O8 913.5862 NA PeJP NA NA +PJ078260 LLLLMRR C41H79N13O8S 913.5896 NA PeJP NA NA +PJ078261 SVLKRRR C38H75N17O9 913.5934 NA PeJP NA NA +PJ078262 SSLLLLLR C42H79N11O11 913.5961 NA PeJP NA NA +MJ097603 Circulocin ?; 3'-Deoxy C47H79N9O9 913.600075 NA MeJP NA NA +PJ078263 APLLLLKF C47H79N9O9 913.6001 NA PeJP NA NA +PJ078264 ALLLLLKM C44H83N9O9S 913.6035 NA PeJP NA NA +PJ078265 LLKKKER C41H79N13O10 913.6073 NA PeJP NA NA +PJ078266 VLLKKKW C46H79N11O8 913.6113 NA PeJP NA NA +PJ078267 TLLKKRR C40H79N15O9 913.6186 NA PeJP NA NA +PJ078268 TTLLLLLK C44H83N9O11 913.6212 NA PeJP NA NA +PJ078269 AKKKKRR C39H79N17O8 913.6298 NA PeJP NA NA +PJ078270 ATLLLKKK C43H83N11O10 913.6325 NA PeJP NA NA +PJ078271 AALKKKKK C42H83N13O9 913.6437 NA PeJP NA NA +PJ078272 VKKKKKR C41H83N15O8 913.6549 NA PeJP NA NA +HMDB09740 PE(24:0/24:1(15Z)) C53H104NO8P 913.749939 NA HMDB2010 NA NA +HMDB09772 PE(24:1(15Z)/24:0) C53H104NO8P 913.749939 NA HMDB2010 NA NA +MJ097604 3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3,3'-Bis(3,4,5-trihydroxybenzoyl) C44H34O22 914.154172 NA MeJP NA NA +MJ097605 3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 5'',5'''-Dihydroxy,3,3'-bis(3,4,5-trihydroxybenzoyl) C44H34O22 914.154172 NA MeJP NA NA +MJ097606 Theasinensin C; 3,3'-Bis(3,4,5-trihydroxybenzoyl) C44H34O22 914.154172 NA MeJP NA NA +MJ097607 Theasinensin C; Atropisomer, 3,3'-bis-O-(3,4,5-trihydroxybenzoyl) C44H34O22 914.154172 NA MeJP NA NA +C09972 Theasinensin A C44H34O22 914.1542 NA KEGG NA NA +PJ078273 CCCCCCDY C31H46N8O12S6 914.156 NA PeJP NA NA +PJ078274 CCCCCCMF C32H50N8O9S7 914.1746 NA PeJP NA NA +C16833 beta-Phenylalanoyl-CoA C30H45N8O17P3S 914.1836 NA KEGG NA NA +PJ078275 CCCCCDEH C30H46N10O13S5 914.185 NA PeJP NA NA +MJ097608 3,3',4',5,5',7-Hexahydroxyflavan(4?8)-3,3'4',5,5',7-hexahydroxyflavan(4?8)-3,3',4',5,5',7-hexahydroxyflavan C45H38O21 914.190558 NA MeJP NA NA +PJ078276 CCDDDDDD C30H42N8O21S2 914.1906 NA PeJP NA NA +PJ078277 SCCCCCMY C32H50N8O11S6 914.1924 NA PeJP NA NA +PJ078278 CCCNNDDE C30H46N10O17S3 914.2205 NA PeJP NA NA +PJ078279 SCCCCEMH C31H50N10O12S5 914.2214 NA PeJP NA NA +PJ078280 ACCCCCFY C36H50N8O10S5 914.2254 NA PeJP NA NA +PJ078281 SCDDDDDM C31H46N8O20S2 914.227 NA PeJP NA NA +PJ078282 PCCCDDEM C32H50N8O15S4 914.2279 NA PeJP NA NA +PJ078283 GCCCNDDW C34H46N10O14S3 914.2358 NA PeJP NA NA +PJ078284 PCCCCCHF C35H50N10O9S5 914.2366 NA PeJP NA NA +PJ078285 GSSCCNDDD C30H46N10O19S2 914.2383 NA PeJP NA NA +PJ078286 GSPCCCCNE C31H50N10O14S4 914.2391 NA PeJP NA NA +PJ078287 GCCCMMMH C32H54N10O9S6 914.24 NA PeJP NA NA +PJ078288 GTCCCCYY C36H50N8O12S4 914.2431 NA PeJP NA NA +PJ078289 GCDDDEMM C32H50N8O17S3 914.2457 NA PeJP NA NA +PJ078290 CCCNNNNM C30H50N12O13S4 914.2503 NA PeJP NA NA +PJ078291 GGCCCNNNM C30H50N12O13S4 914.2504 NA PeJP NA NA +PJ078292 SPCCCCNW C35H50N10O11S4 914.2544 NA PeJP NA NA +PJ078293 SCCNNDEM C31H50N10O16S3 914.2569 NA PeJP NA NA +PJ078294 STCCCMMH C32H54N10O11S5 914.2577 NA PeJP NA NA +PJ078295 GGPCCCNMM C32H54N10O11S5 914.2578 NA PeJP NA NA +PJ078296 GCDDDDEF C35H46N8O19S 914.26 NA PeJP NA NA +PJ078297 CDDDMMW C36H50N8O14S3 914.2609 NA PeJP NA NA +PJ078298 SSDDDDMM C32H50N8O19S2 914.2634 NA PeJP NA NA +PJ078299 SPCCDEMM C33H54N8O14S4 914.2643 NA PeJP NA NA +PJ078300 GCCDDEHH C33H46N12O15S2 914.2648 NA PeJP NA NA +PJ078301 PPCCCMMM C34H58N8O9S6 914.2651 NA PeJP NA NA +PJ078302 SCCCNDDR C30H50N12O15S3 914.2681 NA PeJP NA NA +PJ078303 PCCCCCQR C31H54N12O10S5 914.269 NA PeJP NA NA +MJ097609 Blumeoside B; 5'-Hydroxy C40H50O24 914.269202 NA MeJP NA NA +PJ078304 GCNNDDDY C34H46N10O18S 914.2713 NA PeJP NA NA +PJ078305 GSCCNDMW C35H50N10O13S3 914.2721 NA PeJP NA NA +PJ078306 GGGGPCCCDF C35H50N10O13S3 914.2722 NA PeJP NA NA +PJ078307 GSSSCNDDM C31H50N10O18S2 914.2746 NA PeJP NA NA +PJ078308 CDDDDFW C39H46N8O16S 914.2753 NA PeJP NA NA +PJ078309 GCNNDMMM C32H54N10O13S4 914.2755 NA PeJP NA NA +PJ078310 CCCNFYY C40H50N8O11S3 914.2761 NA PeJP NA NA +PJ078311 GGCCCFYY C40H50N8O11S3 914.2762 NA PeJP NA NA +PJ078312 GSDDDDEY C35H46N8O21 914.2778 NA PeJP NA NA +PJ078313 GPCDDDMY C36H50N8O16S2 914.2787 NA PeJP NA NA +PJ078314 PPCCCDMF C37H54N8O11S4 914.2795 NA PeJP NA NA +PJ078315 CCDDHHW C37H46N12O12S2 914.28 NA PeJP NA NA +PJ078316 GSDDEMMM C33H54N8O16S3 914.282 NA PeJP NA NA +PJ078317 SSCDDDHH C33H46N12O17S 914.2825 NA PeJP NA NA +PJ078318 GPCDMMMM C34H58N8O11S5 914.2829 NA PeJP NA NA +PJ078319 SPCCCEHH C34H50N12O12S3 914.2834 NA PeJP NA NA +PJ078320 SSSSCCNNN C30H50N12O17S2 914.2859 NA PeJP NA NA +PJ078321 GCCCNEMR C31H54N12O12S4 914.2867 NA PeJP NA NA +PJ078322 GGGCCCEMR C31H54N12O12S4 914.2868 NA PeJP NA NA +PJ078323 SCCCQWW C39H50N10O10S3 914.2874 NA PeJP NA NA +PJ078324 SPDDDDDH C34H46N10O20 914.289 NA PeJP NA NA +PJ078325 SSSCCNEW C35H50N10O15S2 914.2899 NA PeJP NA NA +PJ078326 CCNQMMW C36H54N10O10S4 914.2908 NA PeJP NA NA +PJ078327 SSSSSCNDE C31H50N10O20S 914.2924 NA PeJP NA NA +PJ078328 SDDDDYW C39H46N8O18 914.293 NA PeJP NA NA +PJ078329 SSCNNEMM C32H54N10O15S3 914.2933 NA PeJP NA NA +PJ078330 PCCDEYW C40H50N8O13S2 914.2939 NA PeJP NA NA +PJ078331 PCCCCQKM C33H58N10O10S5 914.2941 NA PeJP NA NA +PJ078332 GCCNNMHH C33H50N14O11S3 914.2946 NA PeJP NA NA +MJ097610 Perdeacylwilfortrine; 2-(1-Methyl-6-oxo-3-pyridinecarbonyl), 1,6,8,9,14-penta-Ac C43H50N2O20 914.295692 NA MeJP NA NA +PJ078333 NDDEEMY C36H50N8O18S 914.2964 NA PeJP NA NA +PJ078334 SDDMMMW C37H54N8O13S3 914.2973 NA PeJP NA NA +PJ078335 GCCCCDRR C30H54N14O11S4 914.298 NA PeJP NA NA +PJ078336 SSSDEEMM C33H54N8O18S2 914.2998 NA PeJP NA NA +PJ078337 GNNDDDEH C33H46N12O19 914.3003 NA PeJP NA NA +PJ078338 NEEMMMM C34H58N8O13S4 914.3006 NA PeJP NA NA +PJ078339 GGEEMMMM C34H58N8O13S4 914.3007 NA PeJP NA NA +PJ078340 GCCNNNQY C34H50N12O14S2 914.3011 NA PeJP NA NA +PJ078341 GGGGGGGGACCY C34H50N12O14S2 914.3012 NA PeJP NA NA +PJ078342 CCCNMRW C35H54N12O9S4 914.302 NA PeJP NA NA +PJ078343 SSCCNDMR C31H54N12O14S3 914.3045 NA PeJP NA NA +PJ078344 GSSSCCWW C39H50N10O12S2 914.3051 NA PeJP NA NA +PJ078345 GGCCNEFW C39H50N10O12S2 914.3052 NA PeJP NA NA +PJ078346 PCCCCCKR C32H58N12O9S5 914.3054 NA PeJP NA NA +PJ078347 GSSSSSCDW C35H50N10O17S 914.3076 NA PeJP NA NA +PJ078348 CDDDERY C35H50N10O17S 914.3077 NA PeJP NA NA +PJ078349 GSSCNMMW C36H54N10O12S3 914.3085 NA PeJP NA NA +PJ078350 GSSSSSSSDD C31H50N10O22 914.3101 NA PeJP NA NA +MJ097611 Perdeacylalatusamine; 1-(3-Pyridinecarbonyl), 2-benzoyl, 6,8,9,14-tetra-Ac C47H50N2O17 914.310948 NA MeJP NA NA +PJ078351 GSSSSNDMM C32H54N10O17S2 914.311 NA PeJP NA NA +PJ078352 GDDEMYW C40H50N8O15S 914.3117 NA PeJP NA NA +PJ078353 CDEMMMR C33H58N10O12S4 914.3119 NA PeJP NA NA +PJ078354 SSCCNQHH C33H50N14O13S2 914.3124 NA PeJP NA NA +PJ078355 PCCEMFW C41H54N8O10S3 914.3125 NA PeJP NA NA +PJ078356 GSSDEEEY C36H50N8O20 914.3142 NA PeJP NA NA +PJ078357 GSPDDMMY C37H54N8O15S2 914.315 NA PeJP NA NA +PJ078358 GGDEEMMF C37H54N8O15S2 914.3151 NA PeJP NA NA +PJ078359 NNDDDHW C37H46N12O16 914.3155 NA PeJP NA NA +PJ078360 GEMMMMW C38H58N8O10S4 914.3159 NA PeJP NA NA +PJ078361 SCDMHHW C38H50N12O11S2 914.3164 NA PeJP NA NA +PJ078362 GSTEEMMM C34H58N8O15S3 914.3184 NA PeJP NA NA +PJ078363 SSCNNNNY C34H50N12O16S 914.3189 NA PeJP NA NA +PJ078364 GSPMMMMM C35H62N8O10S5 914.3193 NA PeJP NA NA +PJ078365 NDMMMHH C35H54N12O11S3 914.3197 NA PeJP NA NA +PJ078366 GSTCCCRW C35H54N12O11S3 914.3198 NA PeJP NA NA +PJ078367 GCCNFWW C43H50N10O9S2 914.3204 NA PeJP NA NA +PJ078368 GSSSSCCER C31H54N12O16S2 914.3223 NA PeJP NA NA +PJ078369 SCNNEYW C39H50N10O14S 914.3229 NA PeJP NA NA +PJ078370 GSCCQMMR C32H58N12O11S4 914.3231 NA PeJP NA NA +PJ078371 SCCCKWW C40H54N10O9S3 914.3238 NA PeJP NA NA +PJ078372 SSSNNDEY C35H50N10O19 914.3254 NA PeJP NA NA +PJ078373 SSSSCQMW C36H54N10O14S2 914.3263 NA PeJP NA NA +PJ078374 DDMYWW C44H50N8O12S 914.3269 NA PeJP NA NA +PJ078375 CCNKMMW C37H58N10O9S4 914.3271 NA PeJP NA NA +PJ078376 GGCCKMMW C37H58N10O9S4 914.3272 NA PeJP NA NA +PJ078377 SSSSSSNEM C32H54N10O19S 914.3288 NA PeJP NA NA +PJ078378 SSDEEYW C40H50N8O17 914.3294 NA PeJP NA NA +PJ078379 SSSNQMMM C33H58N10O14S3 914.3296 NA PeJP NA NA +PJ078380 GGGGSSTMMM C33H58N10O14S3 914.3297 NA PeJP NA NA +PJ078381 GSSSSCNHH C33H50N14O15S 914.3301 NA PeJP NA NA +PJ078382 GGGGGGGGGDMH C33H50N14O15S 914.3302 NA PeJP NA NA +PJ078383 SPCEMYW C41H54N8O12S2 914.3303 NA PeJP NA NA +PJ078384 PCCCCKKM C34H62N10O9S5 914.3305 NA PeJP NA NA +PJ078385 CCEMHHR C34H54N14O10S3 914.331 NA PeJP NA NA +PJ078386 MMMMWW C42H58N8O7S4 914.3312 NA PeJP NA NA +PJ078387 SQEEEMY C37H54N8O17S 914.3328 NA PeJP NA NA +PJ078388 DEYYYY C45H50N6O15 914.3334 NA PeJP NA NA +PJ078389 STEMMMW C38H58N8O12S3 914.3337 NA PeJP NA NA +PJ078390 GSPCNDHW C38H50N12O13S 914.3341 NA PeJP NA NA +PJ078391 GGGSPCDHW C38H50N12O13S 914.3342 NA PeJP NA NA +PJ078392 GSCCCMRR C31H58N14O10S4 914.3344 NA PeJP NA NA +PJ078393 ACMMHHW C39H54N12O8S3 914.335 NA PeJP NA NA +PJ078394 SSTTEEMM C34H58N8O17S2 914.3362 NA PeJP NA NA +PJ078395 GSNNEEEH C34H50N12O18 914.3366 NA PeJP NA NA +PJ078396 DDDEEHR C34H50N12O18 914.3367 NA PeJP NA NA +PJ078397 DKEMMMM C35H62N8O12S4 914.337 NA PeJP NA NA +PJ078398 SSSSCCRW C35H54N12O13S2 914.3375 NA PeJP NA NA +PJ078399 GSCNYWW C43H50N10O11S 914.3382 NA PeJP NA NA +PJ078400 CNMHHHH C36H50N16O9S2 914.3389 NA PeJP NA NA +PJ078401 SSSSSSCDR C31H54N12O18S 914.34 NA PeJP NA NA +PJ078402 GSSSNDYW C39H50N10O16 914.3407 NA PeJP NA NA +PJ078403 SSSCNMMR C32H58N12O13S3 914.3409 NA PeJP NA NA +PJ078404 GNNMMYW C40H54N10O11S2 914.3415 NA PeJP NA NA +PJ078405 GGGGAPCCFF C40H54N10O11S2 914.3416 NA PeJP NA NA +MJ097612 Jasmosidic acid C42H58O22 914.341973 NA MeJP NA NA +MJ097613 Rhodenthoside A C42H58O22 914.341973 NA MeJP NA NA +PJ078406 GSSSSSSMW C36H54N10O16S 914.344 NA PeJP NA NA +PJ078407 GGGSPPPCDE C36H54N10O16S 914.3441 NA PeJP NA NA +PJ078408 GPDDYYW C44H50N8O14 914.3447 NA PeJP NA NA +PJ078409 GSTCCKMW C37H58N10O11S3 914.3449 NA PeJP NA NA +PJ078410 CNNNQHW C37H50N14O12S 914.3454 NA PeJP NA NA +PJ078411 DMMFWW C45H54N8O9S2 914.3456 NA PeJP NA NA +PJ078412 GSSSSSSSTE C32H54N10O21 914.3465 NA PeJP NA NA +PJ078413 GSSSSTQMM C33H58N10O16S2 914.3474 NA PeJP NA NA +PJ078414 GSNDDDHR C33H50N14O17 914.3479 NA PeJP NA NA +PJ078415 GTEEMYW C41H54N8O14S 914.3481 NA PeJP NA NA +PJ078416 SEMMMMR C34H62N10O11S4 914.3483 NA PeJP NA NA +PJ078417 APCCNDHR C34H54N14O12S2 914.3487 NA PeJP NA NA +PJ078418 GPCCNEHR C34H54N14O12S2 914.3488 NA PeJP NA NA +PJ078419 GPMMMYW C42H58N8O9S3 914.3489 NA PeJP NA NA +PJ078420 GCEHHFW C42H50N12O10S 914.3494 NA PeJP NA NA +PJ078421 ASSTEEEY C37H54N8O19 914.3505 NA PeJP NA NA +PJ078422 GSTTEEEY C37H54N8O19 914.3506 NA PeJP NA NA +PJ078423 VNEEMMY C38H58N8O14S2 914.3514 NA PeJP NA NA +PJ078424 SNNEEHW C38H50N12O15 914.3519 NA PeJP NA NA +PJ078425 EMFYYY C46H54N6O12S 914.3521 NA PeJP NA NA +PJ078426 SVMMMMW C39H62N8O9S4 914.3523 NA PeJP NA NA +PJ078427 GCCQRYW C39H54N12O10S2 914.3528 NA PeJP NA NA +PJ078428 SSSLEMMM C35H62N8O14S3 914.3548 NA PeJP NA NA +PJ078429 GSSCNERY C35H54N12O15S 914.3553 NA PeJP NA NA +PJ078430 LQMMMMM C36H66N8O9S5 914.3557 NA PeJP NA NA +PJ078431 EEEHWW C43H50N10O13 914.3559 NA PeJP NA NA +PJ078432 CNNMMFR C36H58N12O10S3 914.3561 NA PeJP NA NA +PJ078433 GGGGCMMFR C36H58N12O10S3 914.3562 NA PeJP NA NA +PJ078434 GSTCHHHH C36H50N16O11S 914.3566 NA PeJP NA NA +MJ097614 Antibiotic BA 12100Z1; 4'''-O-(2-Carboxyacetyl) C46H58O19 914.357229 NA MeJP NA NA +PJ078435 GSSSSTCMR C32H58N12O15S2 914.3586 NA PeJP NA NA +PJ078436 SSNQMYW C40H54N10O13S 914.3593 NA PeJP NA NA +PJ078437 GSCCKMMR C33H62N12O10S4 914.3595 NA PeJP NA NA +PJ078438 DDFFWW C48H50N8O11 914.3599 NA PeJP NA NA +PJ078439 CCKMHFF C41H58N10O8S3 914.3602 NA PeJP NA NA +PJ078440 SSSSSSSTW C36H54N10O18 914.3618 NA PeJP NA NA +PJ078441 SQQQMMY C37H58N10O13S2 914.3626 NA PeJP NA NA +PJ078442 SSSSCKMW C37H58N10O13S2 914.3627 NA PeJP NA NA +PJ078443 GSSNNNHW C37H50N14O14 914.3631 NA PeJP NA NA +PJ078444 GGGGGGGSSHW C37H50N14O14 914.3632 NA PeJP NA NA +PJ078445 TEMYWW C45H54N8O11S 914.3633 NA PeJP NA NA +PJ078446 PCMMMFR C38H62N10O8S4 914.3635 NA PeJP NA NA +PJ078447 PCCNHRW C38H54N14O9S2 914.364 NA PeJP NA NA +PJ078448 CHHFWW C46H50N12O7S 914.3647 NA PeJP NA NA +PJ078449 SSSSSTTQM C33H58N10O18S 914.3651 NA PeJP NA NA +PJ078450 SSSSSSDKM C33H58N10O18S 914.3652 NA PeJP NA NA +PJ078451 STTEEYW C41H54N8O16 914.3658 NA PeJP NA NA +PJ078452 SSSNKMMM C34H62N10O13S3 914.366 NA PeJP NA NA +PJ078453 NNDEMHR C34H54N14O14S 914.3665 NA PeJP NA NA +PJ078454 GVEMMYW C42H58N8O11S2 914.3667 NA PeJP NA NA +PJ078455 CLMMMMR C35H66N10O8S5 914.3669 NA PeJP NA NA +PJ078456 GSNEHWW C42H50N12O12 914.3672 NA PeJP NA NA +PJ078457 CCCQFRR C35H58N14O9S3 914.3674 NA PeJP NA NA +PJ078458 SKEEEMY C38H58N8O16S 914.3692 NA PeJP NA NA +PJ078459 ASPTMMMF C39H62N8O11S3 914.37 NA PeJP NA NA +PJ078460 PDKMMMY C39H62N8O11S3 914.3701 NA PeJP NA NA +PJ078461 SSCNRYW C39H54N12O12S 914.3705 NA PeJP NA NA +PJ078462 GGGGGGAPPCW C39H54N12O12S 914.3706 NA PeJP NA NA +PJ078463 TTTTTEMM C35H62N8O16S2 914.3725 NA PeJP NA NA +PJ078464 SSSSNDRY C35H54N12O17 914.373 NA PeJP NA NA +PJ078465 GGGGGGAPQEE C35H54N12O17 914.3731 NA PeJP NA NA +PJ078466 GTTLMMMM C36H66N8O11S4 914.3734 NA PeJP NA NA +PJ078467 SNNMMRY C36H58N12O12S2 914.3739 NA PeJP NA NA +PJ078468 SSSSHHHH C36H50N16O13 914.3744 NA PeJP NA NA +PJ078469 GNNMFFW C44H54N10O10S 914.3745 NA PeJP NA NA +PJ078470 GGGNMFFW C44H54N10O10S 914.3746 NA PeJP NA NA +PJ078471 SSSSSSSMR C32H58N12O17S 914.3764 NA PeJP NA NA +PJ078472 GSSSTQYW C40H54N10O15 914.377 NA PeJP NA NA +PJ078473 SVEEEHW C40H54N10O15 914.3771 NA PeJP NA NA +PJ078474 SSTCCKMR C33H62N12O12S3 914.3773 NA PeJP NA NA +PJ078475 CNDDHRR C33H54N16O13S 914.3777 NA PeJP NA NA +PJ078476 GGCDDHRR C33H54N16O13S 914.3778 NA PeJP NA NA +PJ078477 EMMRYW C41H58N10O10S2 914.3779 NA PeJP NA NA +PJ078478 SPDHHHW C41H50N14O11 914.3784 NA PeJP NA NA +PJ078479 STEEMRY C37H58N10O15S 914.3804 NA PeJP NA NA +PJ078480 GPTEYYW C45H54N8O13 914.3811 NA PeJP NA NA +PJ078481 SPMMMRY C38H62N10O10S3 914.3813 NA PeJP NA NA +PJ078482 GNDMHRW C38H54N14O11S 914.3818 NA PeJP NA NA +PJ078483 VMMYWW C46H58N8O8S2 914.3819 NA PeJP NA NA +PJ078484 SNHWWW C46H50N12O9 914.3824 NA PeJP NA NA +PJ078485 SSSSSSSSSL C33H58N10O20 914.3829 NA PeJP NA NA +PJ078486 GSSSSTKMM C34H62N10O15S2 914.3838 NA PeJP NA NA +PJ078487 SSSNQQQH C34H54N14O16 914.3842 NA PeJP NA NA +PJ078488 GSSNEEHR C34H54N14O16 914.3843 NA PeJP NA NA +PJ078489 SSLEMYW C42H58N8O13S 914.3844 NA PeJP NA NA +PJ078490 GGVEEMFF C42H58N8O13S 914.3845 NA PeJP NA NA +PJ078491 GSCKKMMM C35H66N10O10S4 914.3847 NA PeJP NA NA +PJ078492 PFYYYY C50H54N6O11 914.3851 NA PeJP NA NA +PJ078493 GLMMMFW C43H62N8O8S3 914.3853 NA PeJP NA NA +PJ078494 QQMHWW C43H54N12O9S 914.3858 NA PeJP NA NA +PJ078495 SSSTLEEY C38H58N8O18 914.3869 NA PeJP NA NA +PJ078496 SPPVEEEE C38H58N8O18 914.387 NA PeJP NA NA +PJ078497 VDKEMMY C39H62N8O13S2 914.3878 NA PeJP NA NA +PJ078498 SNDKEHW C39H54N12O14 914.3883 NA PeJP NA NA +PJ078499 LMYYYY C47H58N6O11S 914.3884 NA PeJP NA NA +PJ078500 PKMMMMF C40H66N8O8S4 914.3887 NA PeJP NA NA +PJ078501 GCCKRYW C40H58N12O9S2 914.3892 NA PeJP NA NA +PJ078502 GNQHHHW C40H50N16O10 914.3896 NA PeJP NA NA +PJ078503 STTTLMMM C36H66N8O13S3 914.3912 NA PeJP NA NA +PJ078504 GSSSQMRY C36H58N12O14S 914.3916 NA PeJP NA NA +PJ078505 GGGSSTMRY C36H58N12O14S 914.3917 NA PeJP NA NA +PJ078506 LKMMMMM C37H70N8O8S5 914.3921 NA PeJP NA NA +PJ078507 SPPNEWW C44H54N10O12 914.3923 NA PeJP NA NA +PJ078508 CCQKMFR C37H62N12O9S3 914.3925 NA PeJP NA NA +PJ078509 PCEHHHR C37H54N16O10S 914.393 NA PeJP NA NA +MJ097615 Chukrasins; Chukrasin B C47H62O18 914.393615 NA MeJP NA NA +PJ078510 SSSNNNHR C33H54N16O15 914.3955 NA PeJP NA NA +PJ078511 SSNKMYW C41H58N10O12S 914.3957 NA PeJP NA NA +PJ078512 PTYYWW C49H54N8O10 914.3963 NA PeJP NA NA +PJ078513 GSPCCHRR C34H58N16O10S2 914.3964 NA PeJP NA NA +PJ078514 CQHRWW C42H54N14O8S 914.397 NA PeJP NA NA +PJ078515 SSSSQKEY C37H58N10O17 914.3982 NA PeJP NA NA +PJ078516 SVEMMRY C38H62N10O12S2 914.399 NA PeJP NA NA +PJ078517 GGGATKMMY C38H62N10O12S2 914.3991 NA PeJP NA NA +PJ078518 SSNEHRW C38H54N14O13 914.3995 NA PeJP NA NA +PJ078519 GGGGGGGGGVHF C38H54N14O13 914.3996 NA PeJP NA NA +PJ078520 GPVMYYW C46H58N8O10S 914.3997 NA PeJP NA NA +PJ078521 GMMHHFR C39H58N14O8S2 914.4004 NA PeJP NA NA +PJ078522 PNHHHHH C39H50N18O9 914.4009 NA PeJP NA NA +PJ078523 SSSSSTTKM C34H62N10O17S 914.4015 NA PeJP NA NA +PJ078524 SPKEEYY C42H58N8O15 914.4022 NA PeJP NA NA +PJ078525 SSTCKKMM C35H66N10O12S3 914.4024 NA PeJP NA NA +PJ078526 GSSSCRRY C35H58N14O13S 914.4029 NA PeJP NA NA +PJ078527 ATLMMYW C43H62N8O10S2 914.4031 NA PeJP NA NA +PJ078528 GSDKHWW C43H54N12O11 914.4035 NA PeJP NA NA +PJ078529 GGGGAPQWW C43H54N12O11 914.4036 NA PeJP NA NA +PJ078530 CCCKFRR C36H62N14O8S3 914.4038 NA PeJP NA NA +PJ078531 GTTTLEMY C39H62N8O15S 914.4056 NA PeJP NA NA +PJ078532 VLQMMMY C40H66N8O10S3 914.4064 NA PeJP NA NA +PJ078533 PPNDMRW C40H58N12O11S 914.4069 NA PeJP NA NA +PJ078534 GSPPWWW C48H54N10O9 914.4076 NA PeJP NA NA +PJ078535 SSSSTQRY C36H58N12O16 914.4094 NA PeJP NA NA +PJ078536 SCQKMRY C37H62N12O11S2 914.4103 NA PeJP NA NA +PJ078537 NNNNHFR C37H54N16O12 914.4107 NA PeJP NA NA +PJ078538 GGNNNHFR C37H54N16O12 914.4108 NA PeJP NA NA +PJ078539 APPQMWW C45H58N10O9S 914.4109 NA PeJP NA NA +PJ078540 GSSSTKYW C41H58N10O14 914.4134 NA PeJP NA NA +PJ078541 GGGAAPPPEY C41H58N10O14 914.4135 NA PeJP NA NA +PJ078542 SNDMHRR C34H58N16O12S 914.4141 NA PeJP NA NA +PJ078543 GCKKMYW C42H62N10O9S2 914.4143 NA PeJP NA NA +MJ097616 Tanghinigenin; 3-O-[?-D-Glucopyranosyl(1?6)-?-D-glucopyranosyl(1?4)-2-O-acetyl-?-L-thevetoside] C44H66O20 914.414744 NA MeJP NA NA +PJ078544 GSSHRWW C42H54N14O10 914.4148 NA PeJP NA NA +PJ078545 VMFFWW C50H58N8O7S 914.415 NA PeJP NA NA +PJ078546 GSSDKKMY C38H62N10O14S 914.4168 NA PeJP NA NA +PJ078547 SSPLYYW C46H58N8O12 914.4174 NA PeJP NA NA +MJ097617 Microsclerodermin H C46H58N8O12 914.417419 NA MeJP NA NA +PJ078548 AALEYYW C46H58N8O12 914.4175 NA PeJP NA NA +PJ078549 ALMMMRY C39H66N10O9S3 914.4177 NA PeJP NA NA +PJ078550 GTQMHRW C39H58N14O10S 914.4181 NA PeJP NA NA +PJ078551 GGATMHRW C39H58N14O10S 914.4182 NA PeJP NA NA +PJ078552 AAHHFFW C47H54N12O8 914.4188 NA PeJP NA NA +PJ078553 GSTTQEHR C35H58N14O15 914.4206 NA PeJP NA NA +PJ078554 PNDEERR C35H58N14O15 914.4207 NA PeJP NA NA +PJ078555 TTTLMYW C43H62N8O12S 914.4208 NA PeJP NA NA +PJ078556 LFFYYY C51H58N6O10 914.4215 NA PeJP NA NA +PJ078557 SNQHHHR C36H54N18O11 914.422 NA PeJP NA NA +PJ078558 APPCRWW C44H58N12O8S 914.4222 NA PeJP NA NA +PJ078559 STTTTLEY C39H62N8O17 914.4233 NA PeJP NA NA +PJ078560 TLKEMMY C40H66N8O12S2 914.4242 NA PeJP NA NA +PJ078561 APQEERW C40H58N12O13 914.4247 NA PeJP NA NA +PJ078562 PPMMHFR C41H62N12O8S2 914.4255 NA PeJP NA NA +PJ078563 GNKHHHW C41H54N16O9 914.426 NA PeJP NA NA +PJ078564 GSSSKMRY C37H62N12O13S 914.428 NA PeJP NA NA +PJ078565 GPPDDKMR C37H62N12O13S 914.4281 NA PeJP NA NA +PJ078566 GPLQEWW C45H58N10O11 914.4287 NA PeJP NA NA +PJ078567 CCKKMFR C38H66N12O8S3 914.4289 NA PeJP NA NA +PJ078568 GTCHRRW C38H58N16O9S 914.4294 NA PeJP NA NA +PJ078569 LHHHWW C46H54N14O7 914.43 NA PeJP NA NA +PJ078570 GSSSEHRR C34H58N16O14 914.4319 NA PeJP NA NA +PJ078571 STCKKYW C42H62N10O11S 914.432 NA PeJP NA NA +PJ078572 SLLEMHW C42H62N10O11S 914.4321 NA PeJP NA NA +PJ078573 VVYYWW C50H58N8O9 914.4327 NA PeJP NA NA +PJ078574 GQMMHRR C35H62N16O9S2 914.4328 NA PeJP NA NA +PJ078575 CKHRWW C43H58N14O7S 914.4334 NA PeJP NA NA +PJ078576 SSSSKKEY C38H62N10O16 914.4345 NA PeJP NA NA +PJ078577 SSSTDKKY C38H62N10O16 914.4346 NA PeJP NA NA +PJ078578 TTLMMRY C39H66N10O11S2 914.4354 NA PeJP NA NA +PJ078579 GGGGPPVLMM C39H66N10O11S2 914.4355 NA PeJP NA NA +PJ078580 GPDERRW C39H58N14O12 914.4359 NA PeJP NA NA +PJ078581 GVLMFYW C47H62N8O9S 914.4361 NA PeJP NA NA +PJ078582 PLLEEEW C43H62N8O14 914.4386 NA PeJP NA NA +PJ078583 GSPPDMRR C36H62N14O12S 914.4393 NA PeJP NA NA +PJ078584 VLQMMFF C44H66N8O9S2 914.4394 NA PeJP NA NA +PJ078585 PVKMMFY C44H66N8O9S2 914.4395 NA PeJP NA NA +PJ078586 AAPERWW C44H58N12O10 914.4399 NA PeJP NA NA +PJ078587 SSTTLLMY C40H66N8O14S 914.4419 NA PeJP NA NA +PJ078588 SPPLLEEM C40H66N8O14S 914.442 NA PeJP NA NA +PJ078589 VLKMMMY C41H70N8O9S3 914.4428 NA PeJP NA NA +PJ078590 NNNNQRR C33H58N18O13 914.4431 NA PeJP NA NA +PJ078591 GGGGGGGGGARR C33H58N18O13 914.4432 NA PeJP NA NA +PJ078592 PPTQMRW C41H62N12O10S 914.4433 NA PeJP NA NA +PJ078593 PLQWWW C49H58N10O8 914.4439 NA PeJP NA NA +PJ078594 GAPLWWW C49H58N10O8 914.444 NA PeJP NA NA +PJ078595 SSSSTKRY C37H62N12O15 914.4458 NA PeJP NA NA +PJ078596 SCKKMRY C38H66N12O10S2 914.4467 NA PeJP NA NA +PJ078597 SSSHRRW C38H58N16O11 914.4471 NA PeJP NA NA +PJ078598 GGGEHFRR C38H58N16O11 914.4472 NA PeJP NA NA +PJ078599 APPKMWW C46H62N10O8S 914.4473 NA PeJP NA NA +PJ078600 PVQKEEW C42H62N10O13 914.4498 NA PeJP NA NA +PJ078601 STQMHRR C35H62N16O11S 914.4505 NA PeJP NA NA +PJ078602 VVLMMHW C43H66N10O8S2 914.4507 NA PeJP NA NA +MJ097618 3,15,23-Trihydroxyspirost-5-en-26-one, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C45H70O19 914.45113 NA MeJP NA NA +MJ097619 Spirosta-5,25(27)-diene-1,2,3-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-galactopyranoside] C45H70O19 914.45113 NA MeJP NA NA +MJ097620 Spirosta-7,9(11)-diene-2,3,5-triol, 3-O-[L-Rhamnopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?3)]-?-D-glucopyranoside] C45H70O19 914.45113 NA MeJP NA NA +PJ078603 PDRRWW C43H58N14O9 914.4512 NA PeJP NA NA +PJ078604 GSTTKKMY C39H66N10O13S 914.4532 NA PeJP NA NA +PJ078605 GTLLYYW C47H62N8O11 914.4538 NA PeJP NA NA +PJ078606 GGVLEFFF C47H62N8O11 914.4539 NA PeJP NA NA +PJ078607 CKKKMMF C40H70N10O8S3 914.4541 NA PeJP NA NA +PJ078608 PPTCRRW C40H62N14O9S 914.4545 NA PeJP NA NA +PJ078609 PTQEERR C36H62N14O14 914.457 NA PeJP NA NA +PJ078610 GGGGAALQER C36H62N14O14 914.4571 NA PeJP NA NA +PJ078611 PTLKMYY C44H66N8O11S 914.4572 NA PeJP NA NA +PJ078612 PPQMMRR C37H66N14O9S2 914.4579 NA PeJP NA NA +PJ078613 SNKHHHR C37H58N18O10 914.4584 NA PeJP NA NA +PJ078614 KKMHWW C45H62N12O7S 914.4586 NA PeJP NA NA +PJ078615 SPVLLEEE C40H66N8O16 914.4597 NA PeJP NA NA +PJ078616 PPVVLEMM C41H70N8O11S2 914.4606 NA PeJP NA NA +PJ078617 SPLQERW C41H62N12O12 914.461 NA PeJP NA NA +PJ078618 APKEERW C41H62N12O12 914.4611 NA PeJP NA NA +PJ078619 STCHRRR C34H62N18O10S 914.4617 NA PeJP NA NA +PJ078620 GGPCNRRR C34H62N18O10S 914.4618 NA PeJP NA NA +PJ078621 NHFRRW C42H58N16O8 914.4624 NA PeJP NA NA +PJ078622 GPPTKEMR C38H66N12O12S 914.4644 NA PeJP NA NA +PJ078623 GGGGGAAPLKM C38H66N12O12S 914.4645 NA PeJP NA NA +PJ078624 GPLKEWW C46H62N10O10 914.4651 NA PeJP NA NA +PJ078625 VVMHHHR C39H62N16O8S 914.4658 NA PeJP NA NA +3288 NA LGGAKQAGDV 914.4679 celiac toxic Inhouse_peptide NA peptide +PJ078626 NNQQQKR C35H62N16O13 914.4682 NA PeJP NA NA +PJ078627 SPDERRR C35H62N16O13 914.4683 NA PeJP NA NA +PJ078628 PLLQQMW C43H66N10O10S 914.4684 NA PeJP NA NA +PJ078629 PPKKEMW C43H66N10O10S 914.4685 NA PeJP NA NA +PJ078630 GVLFFFW C51H62N8O8 914.4691 NA PeJP NA NA +PJ078631 SSTTTKKY C39H66N10O15 914.4709 NA PeJP NA NA +PJ078632 GPVKKEEE C39H66N10O15 914.471 NA PeJP NA NA +PJ078633 SKKKMMY C40H70N10O10S2 914.4718 NA PeJP NA NA +PJ078634 APTERRW C40H62N14O11 914.4723 NA PeJP NA NA +PJ078635 PVKMFFF C48H66N8O8S 914.4725 NA PeJP NA NA +PJ078636 SLLKEYY C44H66N8O13 914.475 NA PeJP NA NA +PJ078637 PVQEMRR C37H66N14O11S 914.4757 NA PeJP NA NA +PJ078638 VLKMMFF C45H70N8O8S2 914.4758 NA PeJP NA NA +PJ078639 GPTLRWW C45H62N12O9 914.4763 NA PeJP NA NA +PJ078640 APLLLEEM C41H70N8O13S 914.4784 NA PeJP NA NA +PJ078641 GNQERRR C34H62N18O12 914.4795 NA PeJP NA NA +PJ078642 PPTKMRW C42H66N12O9S 914.4797 NA PeJP NA NA +PJ078643 PLKWWW C50H62N10O7 914.4803 NA PeJP NA NA +PJ078644 PKKEEER C38H66N12O14 914.4822 NA PeJP NA NA +PJ078645 GPPVKMMR C39H70N12O9S2 914.4831 NA PeJP NA NA +PJ078646 AAQQRRW C39H62N16O10 914.4835 NA PeJP NA NA +PJ078647 PVKKEEW C43H66N10O12 914.4862 NA PeJP NA NA +PJ078648 APEMRRR C36H66N16O10S 914.4869 NA PeJP NA NA +MJ097621 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Apiofuranosyl-(1?4)-?-D-glucopyranoside], 28-O-?-L-arabinopyranosyl ester C46H74O18 914.487515 NA MeJP NA NA +MJ097622 3,15,16-Trihydroxy-12-oleanen-28-oic acid, 3-O-[L-Arabinofuranosyl-D-xylopyranosyl-?-D-glucopyranoside] C46H74O18 914.487515 NA MeJP NA NA +MJ097623 3,8,12,14,15-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] C46H74O18 914.487515 NA MeJP NA NA +MJ097624 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] C46H74O18 914.487515 NA MeJP NA NA +MJ097625 Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Di-Ac, 3-O-[3-O-methyl-6-deoxy-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C46H74O18 914.487515 NA MeJP NA NA +MJ097626 Spirost-5-ene-3,17,26-triol, 26-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C46H74O18 914.487515 NA MeJP NA NA +MJ097627 Spirost-5-ene-3,27-diol C46H74O18 914.487515 NA MeJP NA NA +PJ078649 GPPFRRW C44H62N14O8 914.4876 NA PeJP NA NA +PJ078650 STTLLLMH C40H70N10O12S 914.4896 NA PeJP NA NA +PJ078651 PVVKFYY C48H66N8O10 914.4902 NA PeJP NA NA +PJ078652 GPLMRRW C41H66N14O8S 914.4909 NA PeJP NA NA +HMDB09926 PIP(16:0/18:2(9Z,12Z)) C43H80O16P2 914.492188 NA HMDB2010 NA NA +HMDB09941 PIP(16:1(9Z)/18:1(11Z)) C43H80O16P2 914.492188 NA HMDB2010 NA NA +HMDB09942 PIP(16:1(9Z)/18:1(9Z)) C43H80O16P2 914.492188 NA HMDB2010 NA NA +HMDB09944 PIP(16:2(9Z,12Z)/18:0) C43H80O16P2 914.492188 NA HMDB2010 NA NA +HMDB09948 PIP(18:0/16:2(9Z,12Z)) C43H80O16P2 914.492188 NA HMDB2010 NA NA +HMDB09959 PIP(18:1(11Z)/16:1(9Z)) C43H80O16P2 914.492188 NA HMDB2010 NA NA +HMDB09971 PIP(18:1(9Z)/16:1(9Z)) C43H80O16P2 914.492188 NA HMDB2010 NA NA +HMDB09983 PIP(18:2(9Z,12Z)/16:0) C43H80O16P2 914.492188 NA HMDB2010 NA NA +MJ097628 Spirodihydrobenzofuranlactam VI; 2,2'-Dihydroxy C52H70N2O12 914.492875 NA MeJP NA NA +PJ078653 PTKEERR C37H66N14O13 914.4934 NA PeJP NA NA +PJ078654 GGGGGGGGALKK C37H66N14O13 914.4935 NA PeJP NA NA +PJ078655 VVLKMYY C45H70N8O10S 914.4936 NA PeJP NA NA +PJ078656 PPKMMRR C38H70N14O8S2 914.4943 NA PeJP NA NA +PJ078657 NQRRRW C38H62N18O9 914.4948 NA PeJP NA NA +PJ078658 GLLLLEEE C41H70N8O15 914.4961 NA PeJP NA NA +PJ078659 PPTLLLMM C42H74N8O10S2 914.497 NA PeJP NA NA +PJ078660 SPLKERW C42H66N12O11 914.4974 NA PeJP NA NA +PJ078661 GAALLERW C42H66N12O11 914.4975 NA PeJP NA NA +PJ078662 AAPLKEMR C39H70N12O11S 914.5008 NA PeJP NA NA +PJ078663 SPVLKWW C47H66N10O9 914.5015 NA PeJP NA NA +PJ078664 VNNKERR C36H66N16O12 914.5046 NA PeJP NA NA +PJ078665 GLEERRR C36H66N16O12 914.5047 NA PeJP NA NA +PJ078666 PLLQKMW C44H70N10O9S 914.5048 NA PeJP NA NA +PJ078667 GPHHRRR C37H62N20O8 914.506 NA PeJP NA NA +PJ078668 APTLKKEE C40H70N10O14 914.5073 NA PeJP NA NA +PJ078669 AAAALLKEE C40H70N10O14 914.5074 NA PeJP NA NA +PJ078670 APPLKKMM C41H74N10O9S2 914.5082 NA PeJP NA NA +PJ078671 GVLERRW C41H66N14O10 914.5087 NA PeJP NA NA +PJ078672 LLLLEEW C45H70N8O12 914.5114 NA PeJP NA NA +PJ078673 PQQKKMR C38H70N14O10S 914.512 NA PeJP NA NA +PJ078674 PVKEMRR C38H70N14O10S 914.5121 NA PeJP NA NA +PJ078675 AALLRWW C46H66N12O8 914.5127 NA PeJP NA NA +PJ078676 SPLLLLEM C42H74N8O12S 914.5147 NA PeJP NA NA +PJ078677 GNKERRR C35H66N18O11 914.5159 NA PeJP NA NA +PJ078678 PVVKMRW C43H70N12O8S 914.5161 NA PeJP NA NA +PJ078679 LLQKEER C39H70N12O13 914.5186 NA PeJP NA NA +PJ078680 LKKKMMH C40H74N12O8S2 914.5194 NA PeJP NA NA +PJ078681 LERRRW C40H66N16O9 914.5199 NA PeJP NA NA +PJ078682 VLLQKEW C44H70N10O11 914.5226 NA PeJP NA NA +PJ078683 SPLMRRR C37H70N16O9S 914.5233 NA PeJP NA NA +PJ078684 VLRRWW C45H66N14O7 914.5239 NA PeJP NA NA +MJ097629 12-Oleanene-3,16,28-triol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C47H78O17 914.523901 NA MeJP NA NA +MJ097630 12-Oleanene-3,22,24,30-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucopyranoside] C47H78O17 914.523901 NA MeJP NA NA +MJ097631 3,15,22-Trihydroxy-6-hopanone, 3-O-?-L-Arabinopyranoside, 22-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] C47H78O17 914.523901 NA MeJP NA NA +MJ097632 Dammar-24-ene-3,19,20-triol, 19-Aldehyde, 3-O-?-D-glucopyranoside, 20-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C47H78O17 914.523901 NA MeJP NA NA +MJ097633 Dammar-24-ene-3,19,20-triol, 19-Aldehyde, 3-O-[?-L-arabinopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C47H78O17 914.523901 NA MeJP NA NA +MJ097634 Pregn-5-ene-3,8,12,14,17,20-hexol, 20-(3-Methylbutanoyl), 3-O-[?-D-thevetopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C47H78O17 914.523901 NA MeJP NA NA +PJ078685 GPLLKKEM C41H74N10O11S 914.526 NA PeJP NA NA +PJ078686 VVLKFFY C49H70N8O9 914.5266 NA PeJP NA NA +PJ078687 GSQRRRR C34H66N20O10 914.5271 NA PeJP NA NA +PJ078688 VVKEERR C38H70N14O12 914.5298 NA PeJP NA NA +PJ078689 PPVVLLMF C46H74N8O9S 914.53 NA PeJP NA NA +PJ078690 NKRRRW C39H66N18O8 914.5311 NA PeJP NA NA +PJ078691 GGKRRRW C39H66N18O8 914.5312 NA PeJP NA NA +PJ078692 SVLLLLEE C42H74N8O14 914.5325 NA PeJP NA NA +PJ078693 PVVLLLMM C43H78N8O9S2 914.5334 NA PeJP NA NA +PJ078694 ALLKERW C43H70N12O10 914.5338 NA PeJP NA NA +PJ078695 GPTLLKMR C40H74N12O10S 914.5372 NA PeJP NA NA +PJ078696 AVLLKWW C48H70N10O8 914.5378 NA PeJP NA NA +PJ078697 GLLLKWW C48H70N10O8 914.5379 NA PeJP NA NA +MJ097635 Avermectin B1d; O5-Me C51H78O14 914.539157 NA MeJP NA NA +MJ097636 Okadaic acid; 6-Hydroxy-2-methyl-2E,4E-hexadienoyl ester C51H78O14 914.539157 NA MeJP NA NA +PJ078698 SVLERRR C37H70N16O11 914.541 NA PeJP NA NA +PJ078699 GAAKKERR C37H70N16O11 914.5411 NA PeJP NA NA +PJ078700 PLLKKMW C45H74N10O8S 914.5412 NA PeJP NA NA +PJ078701 GVLLKKEE C41H74N10O13 914.5437 NA PeJP NA NA +PJ078702 ATLLRRW C42H70N14O9 914.5451 NA PeJP NA NA +PJ078703 SPPLLLLY C46H74N8O11 914.5477 NA PeJP NA NA +PJ078704 PVVVLLEF C46H74N8O11 914.5478 NA PeJP NA NA +PJ078705 VLLQMRR C39H74N14O9S 914.5484 NA PeJP NA NA +PJ078706 ALLLLLEM C43H78N8O11S 914.5511 NA PeJP NA NA +PJ078707 GDKKRRR C36H70N18O10 914.5523 NA PeJP NA NA +PJ078708 ATTLLLQR C40H74N12O12 914.5549 NA PeJP NA NA +PJ078709 LLKKEER C40H74N12O12 914.555 NA PeJP NA NA +PJ078710 AAKKRRW C41H70N16O8 914.5563 NA PeJP NA NA +PJ078711 VLLKKEW C45H74N10O10 914.559 NA PeJP NA NA +PJ078712 ALLMRRR C38H74N16O8S 914.5597 NA PeJP NA NA +MJ097637 20,24-Epoxydammarane-3,25-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] C48H82O16 914.560286 NA MeJP NA NA +MJ097638 Antibiotic SF 2361 C48H82O16 914.560286 NA MeJP NA NA +MJ097639 Cytovaricin; 26a-Me ether C48H82O16 914.560286 NA MeJP NA NA +MJ097640 Etheromycin C48H82O16 914.560286 NA MeJP NA NA +MJ097641 Septamycin C48H82O16 914.560286 NA MeJP NA NA +PJ078713 SPVLLKKM C42H78N10O10S 914.5624 NA PeJP NA NA +PJ078714 GSKRRRR C35H70N20O9 914.5635 NA PeJP NA NA +PJ078715 TLLKERR C39H74N14O11 914.5662 NA PeJP NA NA +PJ078716 TTLLLLLE C43H78N8O13 914.5689 NA PeJP NA NA +PJ078717 SLLLKRW C44H74N12O9 914.5702 NA PeJP NA NA +PJ078718 AALLLKMR C41H78N12O9S 914.5736 NA PeJP NA NA +PJ078719 TTLLRRR C38H74N16O10 914.5774 NA PeJP NA NA +PJ078720 ATLLLKKE C42H78N10O12 914.5801 NA PeJP NA NA +PJ078721 GLKKKRW C43H74N14O8 914.5814 NA PeJP NA NA +PJ078722 PVLKFRR C43H74N14O8 914.5815 NA PeJP NA NA +PJ078723 APLLLLLY C47H78N8O10 914.5841 NA PeJP NA NA +PJ078724 VLLKMRR C40H78N14O8S 914.5848 NA PeJP NA NA +PJ078725 SLLLLLLM C44H82N8O10S 914.5875 NA PeJP NA NA +HMDB09817 PI(18:0/22:4(10Z,13Z,16Z,19Z)) C49H87O13P 914.58844 NA HMDB2010 NA NA +HMDB09818 PI(18:0/22:4(7Z,10Z,13Z,16Z)) C49H87O13P 914.58844 NA HMDB2010 NA NA +HMDB09856 PI(18:2(9Z,12Z)/22:2(13Z,16Z)) C49H87O13P 914.58844 NA HMDB2010 NA NA +HMDB09868 PI(20:0/20:3(8Z,11Z,14Z)) C49H87O13P 914.58844 NA HMDB2010 NA NA +HMDB09869 PI(20:0/20:4(5Z,8Z,11Z,14Z)) C49H87O13P 914.58844 NA HMDB2010 NA NA +HMDB09878 PI(20:2(11Z,14Z)/20:2(11Z,14Z)) C49H87O13P 914.58844 NA HMDB2010 NA NA +HMDB09897 PI(20:4(5Z,8Z,11Z,14Z)/20:0) C49H87O13P 914.58844 NA HMDB2010 NA NA +HMDB09903 PI(20:4(8Z,11Z,14Z,17Z)/20:0) C49H87O13P 914.58844 NA HMDB2010 NA NA +HMDB09906 PI(22:2(13Z,16Z)/18:2(9Z,12Z)) C49H87O13P 914.58844 NA HMDB2010 NA NA +HMDB09913 PI(22:4(10Z,13Z,16Z,19Z)/18:0) C49H87O13P 914.58844 NA HMDB2010 NA NA +HMDB09915 PI(22:4(7Z,10Z,13Z,16Z)/18:0) C49H87O13P 914.58844 NA HMDB2010 NA NA +PJ078726 ATKKRRR C37H74N18O9 914.5887 NA PeJP NA NA +PJ078727 ATTLLLKR C41H78N12O11 914.5913 NA PeJP NA NA +PJ078728 GVVKKKKE C41H78N12O11 914.5914 NA PeJP NA NA +PJ078729 GPLLLKKF C46H78N10O9 914.5954 NA PeJP NA NA +MJ097642 1,2-Di-O-acylglycerols; Glycerol 2-(9,12,15-octadecatrienoate) 1-hexadecanoate, 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] C49H86O15 914.596672 NA MeJP NA NA +PJ078730 GLLLLKKM C43H82N10O9S 914.5987 NA PeJP NA NA +PJ078731 VKKKKER C40H78N14O10 914.6026 NA PeJP NA NA +PJ078732 VVKKKKW C45H78N12O8 914.6066 NA PeJP NA NA +PJ078733 SLKKKRR C39H78N16O9 914.6138 NA PeJP NA NA +PJ078734 STLLLLKK C43H82N10O11 914.6165 NA PeJP NA NA +PJ078735 ALLLLLLF C48H82N8O9 914.6205 NA PeJP NA NA +PJ078736 GTLLKKKK C42H82N12O10 914.6277 NA PeJP NA NA +PJ078737 QKKKKKK C41H82N14O9 914.639 NA PeJP NA NA +PJ078738 KKKKKKK C42H86N14O8 914.6753 NA PeJP NA NA +HMDB05386 TG(16:0/20:1(11Z)/20:1(11Z))[iso3] C59H110O6 914.83026 http://www.hmdb.ca/metabolites/HMDB05386 HMDB NA NA +HMDB05404 TG(18:0/18:1(9Z)/20:1(11Z))[iso6] C59H110O6 914.83026 http://www.hmdb.ca/metabolites/HMDB05404 HMDB NA NA +HMDB05409 TG(18:0/18:2(9Z,12Z)/20:0)[iso6] C59H110O6 914.83026 http://www.hmdb.ca/metabolites/HMDB05409 HMDB NA NA +HMDB05428 TG(16:1(9Z)/20:0/20:1(11Z))[iso6] C59H110O6 914.83026 http://www.hmdb.ca/metabolites/HMDB05428 HMDB NA NA +HMDB05452 TG(18:1(9Z)/18:1(9Z)/20:0)[iso3] C59H110O6 914.83026 http://www.hmdb.ca/metabolites/HMDB05452 HMDB NA NA +HMDB05386 TG(16:0/20:1(11Z)/20:1(11Z))[iso3] C59H110O6 914.83026 HMDB05386 PFEM_hmdb_metabocards_official NA NA +HMDB05404 TG(18:0/18:1(9Z)/20:1(11Z))[iso6] C59H110O6 914.83026 HMDB05404 PFEM_hmdb_metabocards_official NA NA +HMDB05409 TG(18:0/18:2(9Z,12Z)/20:0)[iso6] C59H110O6 914.83026 HMDB05409 PFEM_hmdb_metabocards_official NA NA +HMDB05428 TG(16:1(9Z)/20:0/20:1(11Z))[iso6] C59H110O6 914.83026 HMDB05428 PFEM_hmdb_metabocards_official NA NA +HMDB05452 TG(18:1(9Z)/18:1(9Z)/20:0)[iso3] C59H110O6 914.83026 HMDB05452 PFEM_hmdb_metabocards_official NA NA +HMDB05386 TG(16:0/20:1(11Z)/20:1(11Z))[iso3] C59H110O6 914.830261 NA HMDB2010 NA NA +HMDB05404 TG(18:0/18:1(9Z)/20:1(11Z))[iso6] C59H110O6 914.830261 NA HMDB2010 NA NA +HMDB05409 TG(18:0/18:2(9Z,12Z)/20:0)[iso6] C59H110O6 914.830261 NA HMDB2010 NA NA +HMDB05428 TG(16:1(9Z)/20:0/20:1(11Z))[iso6] C59H110O6 914.830261 NA HMDB2010 NA NA +HMDB05452 TG(18:1(9Z)/18:1(9Z)/20:0)[iso3] C59H110O6 914.830261 NA HMDB2010 NA NA +MJ097643 2-Docosyl-3-hydroxy-21-tetracontenoic acid C62H122O3 914.939397 NA MeJP NA NA +C16257 (R)-Phenyllactyl-CoA C30H44N7O18P3S 915.1676 NA KEGG NA NA +MetaCyc04304 hydroxycinnamoyl-CoA [] C30H44N7O18P3S1 915.167638 NA metacyc NA NA +MetaCyc04305 (R)-phenyllactyl-CoA [] C30H44N7O18P3S1 915.167638 NA metacyc NA NA +MetaCyc04306 3-hydroxy-3-phenylpropionyl-CoA [] C30H44N7O18P3S1 915.167638 NA metacyc NA NA +PJ078739 CCCCCNMH C30H49N11O10S6 915.1989 NA PeJP NA NA +C11929 Perillyl-CoA C31H48N7O17P3S 915.204 NA KEGG NA NA +PJ078740 CCCNDDDE C30H45N9O18S3 915.2045 NA PeJP NA NA +PJ078741 GSTCCCCCH C30H49N11O12S5 915.2166 NA PeJP NA NA +PJ078742 GCCCDDDW C34H45N9O15S3 915.2198 NA PeJP NA NA +PJ078743 GSSCCDDDD C30H45N9O20S2 915.2223 NA PeJP NA NA +PJ078744 GSPCCCCDE C31H49N9O15S4 915.2231 NA PeJP NA NA +PJ078745 GPPCCCCCM C32H53N9O10S6 915.224 NA PeJP NA NA +PJ078746 SSSSCCCCH C30H49N11O14S4 915.2344 NA PeJP NA NA +PJ078747 SPCCCCDW C35H49N9O12S4 915.2384 NA PeJP NA NA +PJ078748 SCCNDDEM C31H49N9O17S3 915.2409 NA PeJP NA NA +PJ078749 PCCCNDMM C32H53N9O12S5 915.2418 NA PeJP NA NA +PJ078750 CCCMMYY C37H53N7O10S5 915.2458 NA PeJP NA NA +PJ078751 GCCCCNQW C34H49N11O11S4 915.2496 NA PeJP NA NA +PJ078752 SCCCDDDR C30H49N11O16S3 915.2521 NA PeJP NA NA +PJ078753 PCCCCCER C31H53N11O11S5 915.253 NA PeJP NA NA +PJ078754 GCNDDDDY C34H45N9O19S 915.2553 NA PeJP NA NA +PJ078755 GSCCDDMW C35H49N9O14S3 915.2562 NA PeJP NA NA +PJ078756 APCCCCMW C36H53N9O9S5 915.257 NA PeJP NA NA +PJ078757 GSSTCCDDE C31H49N9O19S2 915.2586 NA PeJP NA NA +PJ078758 GSSSCDDDM C31H49N9O19S2 915.2587 NA PeJP NA NA +PJ078759 GCNDDMMM C32H53N9O14S4 915.2595 NA PeJP NA NA +PJ078760 CCCDFYY C40H49N7O12S3 915.2602 NA PeJP NA NA +PJ078761 PCCCCNHH C33H49N13O10S4 915.2609 NA PeJP NA NA +PJ078762 SSCCCNNW C34H49N11O13S3 915.2674 NA PeJP NA NA +PJ078763 SSSSCCNND C30H49N11O18S2 915.2699 NA PeJP NA NA +PJ078764 SCCNNNMM C31H53N11O13S4 915.2707 NA PeJP NA NA +PJ078765 GCCCDEMR C31H53N11O13S4 915.2708 NA PeJP NA NA +PJ078766 SCCCEWW C39H49N9O11S3 915.2714 NA PeJP NA NA +PJ078767 SSSCCDEW C35H49N9O16S2 915.2739 NA PeJP NA NA +PJ078768 CCNEMMW C36H53N9O11S4 915.2748 NA PeJP NA NA +PJ078769 SSSSSCDDE C31H49N9O21S 915.2764 NA PeJP NA NA +PJ078770 SSCNDEMM C32H53N9O16S3 915.2773 NA PeJP NA NA +PJ078771 SCCDYYY C40H49N7O14S2 915.2779 NA PeJP NA NA +PJ078772 SPCCNMMM C33H57N9O11S5 915.2781 NA PeJP NA NA +PJ078773 GGSPCCMMM C33H57N9O11S5 915.2782 NA PeJP NA NA +PJ078774 GCCNDMHH C33H49N13O12S3 915.2786 NA PeJP NA NA +PJ078775 CCCMFFY C41H53N7O9S4 915.2788 NA PeJP NA NA +MJ097644 Perdeacylwilfortrine; 26-(3-Furancarbonyl), 1,2,6,8,9,14-hexa-Ac C43H49NO21 915.279707 NA MeJP NA NA +PJ078776 DDDEEMY C36H49N7O19S 915.2804 NA PeJP NA NA +PJ078777 SCCCCNQR C30H53N13O12S4 915.282 NA PeJP NA NA +PJ078778 GNDDDDEH C33H45N11O20 915.2843 NA PeJP NA NA +PJ078779 DEEMMMM C34H57N7O14S4 915.2847 NA PeJP NA NA +PJ078780 GCCNNNEY C34H49N11O15S2 915.2851 NA PeJP NA NA +PJ078781 GGGGGCCNEY C34H49N11O15S2 915.2852 NA PeJP NA NA +PJ078782 CCCDMRW C35H53N11O10S4 915.286 NA PeJP NA NA +PJ078783 SSCCDDMR C31H53N11O15S3 915.2885 NA PeJP NA NA +PJ078784 CCNDEFW C39H49N9O13S2 915.2892 NA PeJP NA NA +PJ078785 PTCCCCMR C32H57N11O10S5 915.2894 NA PeJP NA NA +MetaCyc04307 5-methyl-tetrahydrosarcinapterin [5-methyl-H4SPT;] C36H50N7O19P1 915.289909 NA metacyc NA NA +PJ078786 GCCMMWW C40H53N9O8S4 915.29 NA PeJP NA NA +PJ078787 GSNDDDMY C35H49N9O18S 915.2917 NA PeJP NA NA +PJ078788 GSSCDMMW C36H53N9O13S3 915.2925 NA PeJP NA NA +PJ078789 CCCQHHW C37H49N13O9S3 915.2939 NA PeJP NA NA +PJ078790 GSSSSDDMM C32H53N9O18S2 915.295 NA PeJP NA NA +PJ078791 GSNDMMMM C33H57N9O13S4 915.2959 NA PeJP NA NA +PJ078792 SSCCNEHH C33H49N13O14S2 915.2964 NA PeJP NA NA +PJ078793 ACCMYYY C41H53N7O11S3 915.2965 NA PeJP NA NA +PJ078794 DDEEMMF C37H53N7O16S2 915.2991 NA PeJP NA NA +PJ078795 NDDDDHW C37H45N11O17 915.2995 NA PeJP NA NA +PJ078796 GSSSCCCNR C30H53N13O14S3 915.2997 NA PeJP NA NA +PJ078797 GGGSSSCCCR C30H53N13O14S3 915.2998 NA PeJP NA NA +PJ078798 CCNNNYW C38H49N11O12S2 915.3004 NA PeJP NA NA +PJ078799 SSCNNNDY C34H49N11O17S 915.3029 NA PeJP NA NA +PJ078800 GPCCCDRY C35H53N11O12S3 915.3038 NA PeJP NA NA +PJ078801 GCCDFWW C43H49N9O10S2 915.3044 NA PeJP NA NA +PJ078802 SSSSSCNNM C31H53N11O17S2 915.3063 NA PeJP NA NA +PJ078803 SCNDEYW C39H49N9O15S 915.3069 NA PeJP NA NA +PJ078804 GSCCEMMR C32H57N11O12S4 915.3071 NA PeJP NA NA +PJ078805 GGGGTCCCKM C32H57N11O12S4 915.3072 NA PeJP NA NA +PJ078806 STCCMWW C40H53N9O10S3 915.3078 NA PeJP NA NA +PJ078807 SSSNDDEY C35H49N9O20 915.3094 NA PeJP NA NA +PJ078808 SSSSCEMW C36H53N9O15S2 915.3103 NA PeJP NA NA +PJ078809 SCQMMMW C37H57N9O10S4 915.3111 NA PeJP NA NA +PJ078810 TCNMMMW C37H57N9O10S4 915.3112 NA PeJP NA NA +PJ078811 GSSCCHHW C37H49N13O11S2 915.3116 NA PeJP NA NA +PJ078812 CCCFFFF C45H53N7O8S3 915.3118 NA PeJP NA NA +PJ078813 SSSSSSDEM C32H53N9O20S 915.3128 NA PeJP NA NA +PJ078814 PDDDEYY C40H49N7O18 915.3134 NA PeJP NA NA +PJ078815 SSSNEMMM C33H57N9O15S3 915.3137 NA PeJP NA NA +PJ078816 GSSSSCDHH C33H49N13O16S 915.3141 NA PeJP NA NA +PJ078817 GGGGGNDDMH C33H49N13O16S 915.3142 NA PeJP NA NA +PJ078818 SSCMYYY C41H53N7O13S2 915.3143 NA PeJP NA NA +PJ078819 NQMMMMM C34H61N9O10S5 915.3145 NA PeJP NA NA +PJ078820 GCCCNNFR C34H53N13O11S3 915.315 NA PeJP NA NA +PJ078821 SEEEEMY C37H53N7O18S 915.3168 NA PeJP NA NA +PJ078822 PDEMMMY C38H57N7O13S3 915.3177 NA PeJP NA NA +PJ078823 GSPCDDHW C38H49N11O14S 915.3182 NA PeJP NA NA +PJ078824 SCCCCNKR C31H57N13O11S4 915.3184 NA PeJP NA NA +PJ078825 APPCCCHW C39H53N11O9S3 915.319 NA PeJP NA NA +PJ078826 GSNDEEEH C34H49N11O19 915.3207 NA PeJP NA NA +PJ078827 CNDDMRY C35H53N11O14S2 915.3215 NA PeJP NA NA +PJ078828 GSCDYWW C43H49N9O12S 915.3222 NA PeJP NA NA +PJ078829 SCCMMRW C36H57N11O9S4 915.3224 NA PeJP NA NA +PJ078830 CDMHHHH C36H49N15O10S2 915.3229 NA PeJP NA NA +PJ078831 GSSSSSSSCQ C31H53N11O19S 915.324 NA PeJP NA NA +PJ078832 GSSSDDYW C39H49N9O17 915.3247 NA PeJP NA NA +PJ078833 SSSCDMMR C32H57N11O14S3 915.3249 NA PeJP NA NA +PJ078834 SCNNNNNH C32H49N15O15S 915.3254 NA PeJP NA NA +PJ078835 GNDMMYW C40H53N9O12S2 915.3255 NA PeJP NA NA +PJ078836 GGGDMMYW C40H53N9O12S2 915.3256 NA PeJP NA NA +PJ078837 CNMMMMR C33H61N11O9S5 915.3258 NA PeJP NA NA +PJ078838 GTCCCHHR C33H53N15O10S3 915.3262 NA PeJP NA NA +PJ078839 GSSNEEMY C36H53N9O17S 915.328 NA PeJP NA NA +PJ078840 GGGSSEEMY C36H53N9O17S 915.3281 NA PeJP NA NA +PJ078841 GSSSMMMW C37H57N9O12S3 915.3289 NA PeJP NA NA +PJ078842 CNNNEHW C37H49N13O13S 915.3294 NA PeJP NA NA +PJ078843 ACCFFYY C45H53N7O10S2 915.3296 NA PeJP NA NA +PJ078844 CCCKHHW C38H53N13O8S3 915.3303 NA PeJP NA NA +PJ078845 GSSSSTEMM C33H57N9O17S2 915.3314 NA PeJP NA NA +PJ078846 GSDDDDHR C33H49N13O18 915.3319 NA PeJP NA NA +PJ078847 PDDEMFY C41H53N7O15S 915.3321 NA PeJP NA NA +PJ078848 GSTQMMMM C34H61N9O12S4 915.3323 NA PeJP NA NA +PJ078849 GSCCNNRY C34H53N13O13S2 915.3328 NA PeJP NA NA +PJ078850 VDEEMMY C38H57N7O15S2 915.3354 NA PeJP NA NA +PJ078851 SNDEEHW C38H49N11O16 915.3359 NA PeJP NA NA +PJ078852 PEMMMMF C39H61N7O10S4 915.3363 NA PeJP NA NA +PJ078853 GCCERYW C39H53N11O11S2 915.3368 NA PeJP NA NA +PJ078854 GSSCDERY C35H53N11O16S 915.3393 NA PeJP NA NA +PJ078855 LEMMMMM C36H65N7O10S5 915.3397 NA PeJP NA NA +PJ078856 GNDDFYW C43H49N9O14 915.3399 NA PeJP NA NA +PJ078857 CNDMMFR C36H57N11O11S3 915.3401 NA PeJP NA NA +PJ078858 GSPCCMRY C36H57N11O11S3 915.3402 NA PeJP NA NA +PJ078859 GPCNDHHH C36H49N15O12S 915.3406 NA PeJP NA NA +PJ078860 CQMYWW C44H53N9O9S2 915.3408 NA PeJP NA NA +PJ078861 SSSSSSSSSN C31H53N11O21 915.3418 NA PeJP NA NA +PJ078862 SSSSSCCQK C32H57N11O16S2 915.3426 NA PeJP NA NA +PJ078863 GGSSSSTCCK C32H57N11O16S2 915.3427 NA PeJP NA NA +PJ078864 SSNEMYW C40H53N9O14S 915.3433 NA PeJP NA NA +PJ078865 GSTCMMMR C33H61N11O11S4 915.3435 NA PeJP NA NA +PJ078866 SSSCCHHR C33H53N15O12S2 915.344 NA PeJP NA NA +PJ078867 GNMMMFW C41H57N9O9S3 915.3442 NA PeJP NA NA +PJ078868 GCNNHWW C41H49N13O10S 915.3446 NA PeJP NA NA +PJ078869 GGGCNHWW C41H49N13O10S 915.3447 NA PeJP NA NA +PJ078870 SSSSQEEY C36H53N9O19 915.3458 NA PeJP NA NA +PJ078871 SSSSTMMW C37H57N9O14S2 915.3467 NA PeJP NA NA +PJ078872 GSSNNDHW C37H49N13O15 915.3471 NA PeJP NA NA +PJ078873 GGGSSNDHW C37H49N13O15 915.3472 NA PeJP NA NA +PJ078874 NMYYYY C45H53N7O12S 915.3473 NA PeJP NA NA +PJ078875 SCKMMMW C38H61N9O9S4 915.3475 NA PeJP NA NA +PJ078876 GPCCKMMF C38H61N9O9S4 915.3476 NA PeJP NA NA +PJ078877 PCCDHRW C38H53N13O10S2 915.348 NA PeJP NA NA +PJ078878 SSSSSTTEM C33H57N9O19S 915.3492 NA PeJP NA NA +PJ078879 SPEEEYY C41H53N7O17 915.3498 NA PeJP NA NA +PJ078880 SSSDKMMM C34H61N9O14S3 915.35 NA PeJP NA NA +PJ078881 NDDEMHR C34H53N13O15S 915.3505 NA PeJP NA NA +PJ078882 GGGGGGGGGSPPC C34H53N13O15S 915.3506 NA PeJP NA NA +PJ078883 PPDMMYY C42H57N7O12S2 915.3507 NA PeJP NA NA +PJ078884 NKMMMMM C35H65N9O9S5 915.3509 NA PeJP NA NA +PJ078885 GSDEHWW C42H49N11O13 915.3512 NA PeJP NA NA +PJ078886 CCCEFRR C35H57N13O10S3 915.3514 NA PeJP NA NA +PJ078887 CCRYWW C43H53N11O8S2 915.352 NA PeJP NA NA +PJ078888 VEEMMMF C39H61N7O12S3 915.3541 NA PeJP NA NA +PJ078889 SSCDRYW C39H53N11O13S 915.3545 NA PeJP NA NA +PJ078890 GGAEEMHW C39H53N11O13S 915.3546 NA PeJP NA NA +PJ078891 ACCMFRW C40H57N11O8S3 915.3554 NA PeJP NA NA +PJ078892 SSSSDDRY C35H53N11O18 915.357 NA PeJP NA NA +PJ078893 SPPDDDDR C35H53N11O18 915.3571 NA PeJP NA NA +PJ078894 SNDMMRY C36H57N11O13S2 915.3579 NA PeJP NA NA +PJ078895 NNEEHHH C36H49N15O14 915.3584 NA PeJP NA NA +PJ078896 GSSMYWW C44H53N9O11S 915.3586 NA PeJP NA NA +PJ078897 VMMMMHH C37H61N11O8S4 915.3588 NA PeJP NA NA +PJ078898 CCNHHFR C37H53N15O9S2 915.3592 NA PeJP NA NA +PJ078899 GGCCHHFR C37H53N15O9S2 915.3593 NA PeJP NA NA +PJ078900 GSSSSSSSCK C32H57N11O18S 915.3604 NA PeJP NA NA +PJ078901 ANQEEYY C40H53N9O16 915.361 NA PeJP NA NA +PJ078902 GSSSTEYW C40H53N9O16 915.3611 NA PeJP NA NA +PJ078903 SSSSMMMR C33H61N11O13S3 915.3613 NA PeJP NA NA +PJ078904 CDDDHRR C33H53N15O14S 915.3618 NA PeJP NA NA +PJ078905 GTQMMYW C41H57N9O11S2 915.3619 NA PeJP NA NA +PJ078906 GSSDKEMY C37H57N9O16S 915.3644 NA PeJP NA NA +PJ078907 GGAPPEEEM C37H57N9O16S 915.3645 NA PeJP NA NA +PJ078908 GSTYYYY C45H53N7O14 915.3651 NA PeJP NA NA +PJ078909 VNQMMMY C38H61N9O11S3 915.3653 NA PeJP NA NA +PJ078910 GDDMHRW C38H53N13O12S 915.3658 NA PeJP NA NA +PJ078911 SDHWWW C46H49N11O10 915.3664 NA PeJP NA NA +PJ078912 SSSSSSLMM C34H61N9O16S2 915.3678 NA PeJP NA NA +PJ078913 GSSDEEHR C34H53N13O17 915.3683 NA PeJP NA NA +PJ078914 PVDEMYY C42H57N7O14S 915.3685 NA PeJP NA NA +PJ078915 GSTKMMMM C35H65N9O11S4 915.3687 NA PeJP NA NA +PJ078916 SCCERRY C35H57N13O12S2 915.3691 NA PeJP NA NA +PJ078917 GSPCEMHR C35H57N13O12S2 915.3692 NA PeJP NA NA +PJ078918 PPMMMFY C43H61N7O9S3 915.3693 NA PeJP NA NA +PJ078919 GSNNNHHH C35H49N17O13 915.3696 NA PeJP NA NA +PJ078920 QEMHWW C43H53N11O10S 915.3698 NA PeJP NA NA +PJ078921 TLEEMMY C39H61N7O14S2 915.3718 NA PeJP NA NA +PJ078922 STQEEHW C39H53N11O15 915.3723 NA PeJP NA NA +PJ078923 PLMMMMY C40H65N7O9S4 915.3727 NA PeJP NA NA +PJ078924 GTCMRYW C40H57N11O10S2 915.3732 NA PeJP NA NA +PJ078925 GNEHHHW C40H49N15O11 915.3736 NA PeJP NA NA +PJ078926 GGGEHHHW C40H49N15O11 915.3737 NA PeJP NA NA +PJ078927 CQFFWW C48H53N9O8S 915.3738 NA PeJP NA NA +PJ078928 GSSSEMRY C36H57N11O15S 915.3757 NA PeJP NA NA +PJ078929 SSSTYWW C44H53N9O13 915.3763 NA PeJP NA NA +PJ078930 GQMMMRY C37H61N11O10S3 915.3765 NA PeJP NA NA +PJ078931 GGACCCKKF C37H61N11O10S3 915.3766 NA PeJP NA NA +PJ078932 SCNNHRW C37H53N15O11S 915.377 NA PeJP NA NA +PJ078933 CKMYWW C45H57N9O8S2 915.3772 NA PeJP NA NA +PJ078934 SSSSSCCKK C33H61N11O15S2 915.379 NA PeJP NA NA +PJ078935 SSSNNDHR C33H53N15O16 915.3795 NA PeJP NA NA +PJ078936 GGGGGGGGGGGAAQ C33H53N15O16 915.3796 NA PeJP NA NA +PJ078937 SSDKMYW C41H57N9O13S 915.3797 NA PeJP NA NA +PJ078938 TCCCCKKK C34H65N11O10S4 915.3799 NA PeJP NA NA +PJ078939 NFFYYY C49H53N7O11 915.3803 NA PeJP NA NA +PJ078940 NNNMMHR C34H57N15O11S2 915.3804 NA PeJP NA NA +PJ078941 ACKMMFW C42H61N9O8S3 915.3806 NA PeJP NA NA +PJ078942 CEHRWW C42H53N13O9S 915.381 NA PeJP NA NA +PJ078943 SSSSKEEY C37H57N9O18 915.3822 NA PeJP NA NA +PJ078944 SQKEMMY C38H61N9O13S2 915.3831 NA PeJP NA NA +PJ078945 SSDEHRW C38H53N13O14 915.3835 NA PeJP NA NA +PJ078946 GGGGGGGSPQW C38H53N13O14 915.3836 NA PeJP NA NA +PJ078947 PPDMFFY C46H57N7O11S 915.3837 NA PeJP NA NA +PJ078948 SPCMHRW C39H57N13O9S2 915.3844 NA PeJP NA NA +PJ078949 PDHHHHH C39H49N17O10 915.3849 NA PeJP NA NA +PJ078950 AMHWWW C47H53N11O7S 915.3851 NA PeJP NA NA +PJ078951 SSSTTTTTM C34H61N9O18S 915.3855 NA PeJP NA NA +PJ078952 ALEEEYY C42H57N7O16 915.3862 NA PeJP NA NA +PJ078953 SSTTKMMM C35H65N9O13S3 915.3864 NA PeJP NA NA +PJ078954 SQEEMHR C35H57N13O14S 915.3869 NA PeJP NA NA +PJ078955 PVEMMFY C43H61N7O11S2 915.3871 NA PeJP NA NA +PJ078956 NDRYYW C43H53N11O12 915.3875 NA PeJP NA NA +PJ078957 GTTEHWW C43H53N11O12 915.3876 NA PeJP NA NA +PJ078958 GCMMRRY C36H61N13O9S3 915.3878 NA PeJP NA NA +PJ078959 NHHHWW C44H49N15O8 915.3889 NA PeJP NA NA +PJ078960 VLEMMMY C40H65N7O11S3 915.3904 NA PeJP NA NA +PJ078961 LLDMMMY C40H65N7O11S3 915.3905 NA PeJP NA NA +PJ078962 GNNNNNNR C32H53N17O15 915.3907 NA PeJP NA NA +PJ078963 GGGGGNNNNR C32H53N17O15 915.3908 NA PeJP NA NA +PJ078964 SSSMRYW C40H57N11O12S 915.3909 NA PeJP NA NA +PJ078965 GGGGGAPPPCF C40H57N11O12S 915.391 NA PeJP NA NA +PJ078966 AQYYWW C48H53N9O10 915.3916 NA PeJP NA NA +PJ078967 AMHHHHF C41H53N15O8S 915.3923 NA PeJP NA NA +PJ078968 SSSSTERY C36H57N11O17 915.3934 NA PeJP NA NA +PJ078969 GGGGGPKEEE C36H57N11O17 915.3935 NA PeJP NA NA +PJ078970 STQMMRY C37H61N11O12S2 915.3943 NA PeJP NA NA +PJ078971 NNNDHFR C37H53N15O13 915.3948 NA PeJP NA NA +PJ078972 APPEMWW C45H57N9O10S 915.3949 NA PeJP NA NA +PJ078973 PPVCEWW C45H57N9O10S 915.395 NA PeJP NA NA +PJ078974 SSSSSLYW C41H57N9O15 915.3974 NA PeJP NA NA +PJ078975 PVQEEEW C41H57N9O15 915.3975 NA PeJP NA NA +PJ078976 SDDMHRR C34H57N15O13S 915.3981 NA PeJP NA NA +PJ078977 GGGGGSTMHR C34H57N15O13S 915.3982 NA PeJP NA NA +PJ078978 GTKMMYW C42H61N9O10S2 915.3983 NA PeJP NA NA +PJ078979 GNQQHFW C42H53N13O11 915.3988 NA PeJP NA NA +PJ078980 GSTTKEMY C38H61N9O15S 915.4008 NA PeJP NA NA +PJ078981 PPVDYYY C46H57N7O13 915.4015 NA PeJP NA NA +PJ078982 VNKMMMY C39H65N9O10S3 915.4017 NA PeJP NA NA +PJ078983 SNNKMHW C39H57N13O11S 915.4021 NA PeJP NA NA +PJ078984 GTEMHRW C39H57N13O11S 915.4022 NA PeJP NA NA +PJ078985 PPMMFFF C47H61N7O8S2 915.4023 NA PeJP NA NA +PJ078986 TTHWWW C47H53N11O9 915.4028 NA PeJP NA NA +PJ078987 SSTNNKEH C35H57N13O16 915.4046 NA PeJP NA NA +PJ078988 PDDEERR C35H57N13O16 915.4047 NA PeJP NA NA +PJ078989 PTLEMYY C43H61N7O13S 915.4048 NA PeJP NA NA +PJ078990 STCMRRY C36H61N13O11S2 915.4055 NA PeJP NA NA +PJ078991 GGGGGPPMMR C36H61N13O11S2 915.4056 NA PeJP NA NA +PJ078992 PLMMMFF C44H65N7O8S3 915.4057 NA PeJP NA NA +PJ078993 SNEHHHR C36H53N17O12 915.406 NA PeJP NA NA +PJ078994 KEMHWW C44H57N11O9S 915.4062 NA PeJP NA NA +PJ078995 APEEERW C40H57N11O14 915.4087 NA PeJP NA NA +PJ078996 LLMMMMF C41H69N7O8S4 915.4091 NA PeJP NA NA +PJ078997 GSSCNHRR C33H57N17O12S 915.4094 NA PeJP NA NA +PJ078998 ALQMMHW C41H61N11O9S2 915.4095 NA PeJP NA NA +PJ078999 SPKMMHW C41H61N11O9S2 915.4096 NA PeJP NA NA +PJ079000 GDKHHHW C41H53N15O10 915.41 NA PeJP NA NA +PJ079001 CKFFWW C49H57N9O7S 915.4102 NA PeJP NA NA +PJ079002 GSTTTMRY C37H61N11O14S 915.412 NA PeJP NA NA +PJ079003 GGSSSCKKY C37H61N11O14S 915.4121 NA PeJP NA NA +PJ079004 GPLEEWW C45H57N9O12 915.4127 NA PeJP NA NA +PJ079005 GKMMMRY C38H65N11O9S3 915.4129 NA PeJP NA NA +PJ079006 VQQMHHH C38H57N15O10S 915.4134 NA PeJP NA NA +PJ079007 GPPHHWW C46H53N13O8 915.4141 NA PeJP NA NA +PJ079008 GSPNDDRR C34H57N15O15 915.4159 NA PeJP NA NA +PJ079009 STTKMYW C42H61N9O12S 915.4161 NA PeJP NA NA +PJ079010 PPDFFFF C50H57N7O10 915.4167 NA PeJP NA NA +PJ079011 GEMMHRR C35H61N15O10S2 915.4168 NA PeJP NA NA +PJ079012 TMHRWW C43H57N13O8S 915.4174 NA PeJP NA NA +8108 peptide derived from conger eel muscle (Conger myriaster) LGLNGDDVN 915.4176 ACE inhibitor Inhouse_peptide NA peptide +PJ079013 SSTTTKEY C38H61N9O17 915.4186 NA PeJP NA NA +PJ079014 SKKEMMY C39H65N9O12S2 915.4194 NA PeJP NA NA +PJ079015 APPLQEMM C39H65N9O12S2 915.4195 NA PeJP NA NA +PJ079016 STTEHRW C39H57N13O13 915.4199 NA PeJP NA NA +PJ079017 GGGGGGGGAALW C39H57N13O13 915.42 NA PeJP NA NA +PJ079018 PPVMFYY C47H61N7O10S 915.4201 NA PeJP NA NA +PJ079019 GVMMHRW C40H61N13O8S2 915.4208 NA PeJP NA NA +PJ079020 GSHHHRW C40H53N17O9 915.4213 NA PeJP NA NA +PJ079021 SLLEEYY C43H61N7O15 915.4226 NA PeJP NA NA +PJ079022 SKEEMHR C36H61N13O13S 915.4233 NA PeJP NA NA +PJ079023 PVLMMYY C44H65N7O10S2 915.4235 NA PeJP NA NA +PJ079024 SSTLHWW C44H57N11O11 915.4239 NA PeJP NA NA +PJ079025 GGGPKEWW C44H57N11O11 915.424 NA PeJP NA NA +PJ079026 AQMHHHR C37H57N17O9S 915.4246 NA PeJP NA NA +PJ079027 NNNNERR C33H57N17O14 915.4271 NA PeJP NA NA +PJ079028 GGGGGGNERR C33H57N17O14 915.4272 NA PeJP NA NA +PJ079029 PPTEMRW C41H61N11O11S 915.4273 NA PeJP NA NA +PJ079030 SKFYWW C49H57N9O9 915.4279 NA PeJP NA NA +PJ079031 PLEWWW C49H57N9O9 915.428 NA PeJP NA NA +PJ079032 SSTTTTRY C37H61N11O16 915.4298 NA PeJP NA NA +PJ079033 STKMMRY C38H65N11O11S2 915.4307 NA PeJP NA NA +PJ079034 GNQQQRW C38H57N15O12 915.4311 NA PeJP NA NA +PJ079035 GGGQQQRW C38H57N15O12 915.4312 NA PeJP NA NA +PJ079036 SPPLMWW C46H61N9O9S 915.4313 NA PeJP NA NA +PJ079037 MMHRRW C39H61N15O7S2 915.432 NA PeJP NA NA +MJ097645 Liposidomycin; Liposidomycin X-I, Desulfo C41H65N5O18 915.43246 NA MeJP NA NA +PJ079038 PVKEEEW C42H61N9O14 915.4338 NA PeJP NA NA +PJ079039 GAAPPLDEF C42H61N9O14 915.4339 NA PeJP NA NA +PJ079040 STEMHRR C35H61N15O12S 915.4345 NA PeJP NA NA +PJ079041 GGGGGGAPCKR C35H61N15O12S 915.4346 NA PeJP NA NA +PJ079042 AAPPLMMW C43H65N9O9S2 915.4347 NA PeJP NA NA +PJ079043 GSPQRWW C43H57N13O10 915.4352 NA PeJP NA NA +PJ079044 ACHHHRR C36H57N19O8S 915.4359 NA PeJP NA NA +PJ079045 SSSTLKMY C39H65N9O14S 915.4372 NA PeJP NA NA +PJ079046 PPTLYYY C47H61N7O12 915.4378 NA PeJP NA NA +PJ079047 PVVEFYY C47H61N7O12 915.4379 NA PeJP NA NA +PJ079048 CLKKMMY C40H69N9O9S3 915.4381 NA PeJP NA NA +PJ079049 SSLMHRW C40H61N13O10S 915.4385 NA PeJP NA NA +PJ079050 GAAPQMRW C40H61N13O10S 915.4386 NA PeJP NA NA +PJ079051 PNKWWW C48H57N11O8 915.4392 NA PeJP NA NA +PJ079052 SSSTLEHR C36H61N13O15 915.441 NA PeJP NA NA +PJ079053 PTEEERR C36H61N13O15 915.4411 NA PeJP NA NA +PJ079054 VVLEMYY C44H65N7O12S 915.4412 NA PeJP NA NA +PJ079055 PPEMMRR C37H65N13O10S2 915.4419 NA PeJP NA NA +PJ079056 GNNNRRW C37H57N17O11 915.4424 NA PeJP NA NA +PJ079057 APKMHFW C45H61N11O8S 915.4426 NA PeJP NA NA +PJ079058 SPLEERW C41H61N11O13 915.4451 NA PeJP NA NA +PJ079059 PCNDRRR C34H61N17O11S 915.4458 NA PeJP NA NA +PJ079060 PPVMMRW C42H65N11O8S2 915.4459 NA PeJP NA NA +PJ079061 DHFRRW C42H57N15O9 915.4464 NA PeJP NA NA +PJ079062 SSPPLEMR C38H65N11O13S 915.4484 NA PeJP NA NA +PJ079063 AAPLEEMR C38H65N11O13S 915.4485 NA PeJP NA NA +PJ079064 SPVLEWW C46H61N9O11 915.4491 NA PeJP NA NA +PJ079065 GPNMRRW C39H61N15O9S 915.4498 NA PeJP NA NA +PJ079066 AQQEERR C35H61N15O14 915.4523 NA PeJP NA NA +PJ079067 SPKKMYY C43H65N9O11S 915.4524 NA PeJP NA NA +PJ079068 PLLQEMW C43H65N9O11S 915.4525 NA PeJP NA NA +PJ079069 PPVFFFY C51H61N7O9 915.4531 NA PeJP NA NA +PJ079070 TCLMHRR C36H65N15O9S2 915.4532 NA PeJP NA NA +PJ079071 SSHHHRR C36H57N19O10 915.4536 NA PeJP NA NA +PJ079072 TTTTTTKY C39H65N9O16 915.4549 NA PeJP NA NA +PJ079073 APTLKEEE C39H65N9O16 915.455 NA PeJP NA NA +PJ079074 APPLKEMM C40H69N9O11S2 915.4558 NA PeJP NA NA +PJ079075 SPNKERW C40H61N13O12 915.4563 NA PeJP NA NA +PJ079076 PVLMFFY C48H65N7O9S 915.4565 NA PeJP NA NA +PJ079077 VLHHHHH C41H57N17O8 915.4576 NA PeJP NA NA +PJ079078 PVEEMRR C37H65N13O12S 915.4597 NA PeJP NA NA +PJ079079 VLLMMFY C45H69N7O9S2 915.4599 NA PeJP NA NA +PJ079080 GPDKKWW C45H61N11O10 915.4603 NA PeJP NA NA +PJ079081 AKMHHHR C38H61N17O8S 915.461 NA PeJP NA NA +PJ079082 GNEERRR C34H61N17O13 915.4635 NA PeJP NA NA +PJ079083 PVVEMRW C42H65N11O10S 915.4637 NA PeJP NA NA +PJ079084 APPLFWW C50H61N9O8 915.4643 NA PeJP NA NA +PJ079085 LLQEEER C38H65N11O15 915.4662 NA PeJP NA NA +PJ079086 APPTLMMR C39H69N11O10S2 915.4671 NA PeJP NA NA +PJ079087 AAQERRW C39H61N15O11 915.4675 NA PeJP NA NA +PJ079088 GGGVERRW C39H61N15O11 915.4676 NA PeJP NA NA +PJ079089 APLLMWW C47H65N9O8S 915.4677 NA PeJP NA NA +PJ079090 VLLQEEW C43H65N9O13 915.4702 NA PeJP NA NA +PJ079091 PNDKMRR C36H65N15O11S 915.4709 NA PeJP NA NA +PJ079092 CLKKMFF C44H69N9O8S2 915.4711 NA PeJP NA NA +PJ079093 GSPKRWW C44H61N13O9 915.4716 NA PeJP NA NA +PJ079094 GPLLKEEM C40H69N9O13S 915.4736 NA PeJP NA NA +PJ079095 PVVLYYY C48H65N7O11 915.4742 NA PeJP NA NA +PJ079096 SNNNRRR C33H61N19O12 915.4747 NA PeJP NA NA +PJ079097 GGSNNRRR C33H61N19O12 915.4748 NA PeJP NA NA +PJ079098 APQKMRW C41H65N13O9S 915.4749 NA PeJP NA NA +PJ079099 LKHFWW C49H61N11O7 915.4756 NA PeJP NA NA +PJ079100 VVEEERR C37H65N13O14 915.4774 NA PeJP NA NA +PJ079101 GGAALDKER C37H65N13O14 915.4775 NA PeJP NA NA +PJ079102 TLLLMYY C45H69N7O11S 915.4776 NA PeJP NA NA +PJ079103 TLKMMHR C38H69N13O9S2 915.4783 NA PeJP NA NA +PJ079104 NERRRW C38H61N17O10 915.4788 NA PeJP NA NA +PJ079105 PTQKKEW C42H65N11O12 915.4814 NA PeJP NA NA +MJ097646 Cargutocin C42H65N11O12 915.481416 NA MeJP NA NA +PJ079106 ALLEERW C42H65N11O12 915.4815 NA PeJP NA NA +PJ079107 SPNMRRR C35H65N17O10S 915.4821 NA PeJP NA NA +PJ079108 GGSPMRRR C35H65N17O10S 915.4822 NA PeJP NA NA +PJ079109 VNRRWW C43H61N15O8 915.4828 NA PeJP NA NA +PJ079110 GPTLLEMR C39H69N11O12S 915.4848 NA PeJP NA NA +PJ079111 GGGGGAALLLM C39H69N11O12S 915.4849 NA PeJP NA NA +PJ079112 GLLLEWW C47H65N9O10 915.4855 NA PeJP NA NA +PJ079113 APCKRRW C40H65N15O8S 915.4862 NA PeJP NA NA +PJ079114 AQKEERR C36H65N15O13 915.4887 NA PeJP NA NA +PJ079115 ALKKMYY C44H69N9O10S 915.4888 NA PeJP NA NA +PJ079116 PLLKEMW C44H69N9O10S 915.4889 NA PeJP NA NA +PJ079117 PVLFFFF C52H65N7O8 915.4895 NA PeJP NA NA +PJ079118 SPTLLKEE C40H69N9O15 915.4913 NA PeJP NA NA +PJ079119 GVLLKEEE C40H69N9O15 915.4914 NA PeJP NA NA +PJ079120 SPPLLKMM C41H73N9O10S2 915.4922 NA PeJP NA NA +PJ079121 GLQKERW C41H65N13O11 915.4927 NA PeJP NA NA +PJ079122 VLLMFFF C49H69N7O8S 915.4929 NA PeJP NA NA +PJ079123 GRRRWW C42H61N17O7 915.494 NA PeJP NA NA +PJ079124 PQKKEMR C38H69N13O11S 915.4961 NA PeJP NA NA +PJ079125 APTKKWW C46H65N11O9 915.4967 NA PeJP NA NA +PJ079126 GDKERRR C35H65N17O12 915.4999 NA PeJP NA NA +PJ079127 PTLLMRW C43H69N11O9S 915.5001 NA PeJP NA NA +PJ079128 LLLWWW C51H65N9O7 915.5007 NA PeJP NA NA +PJ079129 LLKEEER C39H69N11O14 915.5026 NA PeJP NA NA +PJ079130 GPVLLMMR C40H73N11O9S2 915.5035 NA PeJP NA NA +PJ079131 AAKERRW C40H65N15O10 915.5039 NA PeJP NA NA +PJ079132 VLLKEEW C44H69N9O12 915.5066 NA PeJP NA NA +PJ079133 PTQKMRR C37H69N15O10S 915.5073 NA PeJP NA NA +PJ079134 LQKRWW C45H65N13O8 915.5079 NA PeJP NA NA +PJ079135 GALKRWW C45H65N13O8 915.508 NA PeJP NA NA +PJ079136 SPVLLKEM C41H73N9O12S 915.51 NA PeJP NA NA +PJ079137 VVLLFYY C49H69N7O10 915.5106 NA PeJP NA NA +PJ079138 GSERRRR C34H65N19O11 915.5111 NA PeJP NA NA +PJ079139 APKKMRW C42H69N13O8S 915.5113 NA PeJP NA NA +PJ079140 TLLEERR C38H69N13O13 915.5138 NA PeJP NA NA +PJ079141 PLLMMRR C39H73N13O8S2 915.5147 NA PeJP NA NA +PJ079142 DKRRRW C39H65N17O9 915.5152 NA PeJP NA NA +PJ079143 SLLLERW C43H69N11O11 915.5178 NA PeJP NA NA +PJ079144 GGVLKKEW C43H69N11O11 915.5179 NA PeJP NA NA +PJ079145 GLQMRRR C36H69N17O9S 915.5185 NA PeJP NA NA +MJ097647 Angolamycin C46H77NO17 915.51915 NA MeJP NA NA +MJ097648 Tylosin C46H77NO17 915.51915 NA MeJP NA NA +C01457 Tylosin C46H77NO17 915.5192 NA KEGG NA NA +PJ079146 AALLLEMR C40H73N11O11S 915.5212 NA PeJP NA NA +PJ079147 SVLLLWW C48H69N9O9 915.5219 NA PeJP NA NA +PJ079148 ASPTTKRR C37H69N15O12 915.525 NA PeJP NA NA +PJ079149 AKKEERR C37H69N15O12 915.5251 NA PeJP NA NA +PJ079150 LLLLQMW C45H73N9O9S 915.5252 NA PeJP NA NA +PJ079151 SRRRRW C38H65N19O8 915.5264 NA PeJP NA NA +PJ079152 ATLLLKEE C41H73N9O14 915.5277 NA PeJP NA NA +PJ079153 APLLLKMM C42H77N9O9S2 915.5286 NA PeJP NA NA +PJ079154 GLKKERW C42H69N13O10 915.5291 NA PeJP NA NA +PJ079155 AAMRRRR C35H69N19O8S 915.5298 NA PeJP NA NA +PJ079156 LLQQKMR C39H73N13O10S 915.5324 NA PeJP NA NA +PJ079157 VLLEMRR C39H73N13O10S 915.5325 NA PeJP NA NA +PJ079158 GVLKKWW C47H69N11O8 915.5331 NA PeJP NA NA +PJ079159 ATKERRR C36H69N17O11 915.5363 NA PeJP NA NA +PJ079160 VVLLMRW C44H73N11O8S 915.5365 NA PeJP NA NA +PJ079161 ATTLLLER C40H73N11O13 915.539 NA PeJP NA NA +PJ079162 GTLKRRW C41H69N15O9 915.5403 NA PeJP NA NA +PJ079163 GTTLLLLW C45H73N9O11 915.543 NA PeJP NA NA +PJ079164 PTKKMRR C38H73N15O9S 915.5437 NA PeJP NA NA +PJ079165 LKKRWW C46H69N13O7 915.5443 NA PeJP NA NA +PJ079166 GLLLLKEM C42H77N9O11S 915.5464 NA PeJP NA NA +PJ079167 ATTRRRR C35H69N19O10 915.5475 NA PeJP NA NA +PJ079168 VKKKEER C39H73N13O12 915.5502 NA PeJP NA NA +PJ079169 VVLHHRR C40H69N17O8 915.5515 NA PeJP NA NA +PJ079170 GPKFRRR C40H69N17O8 915.5516 NA PeJP NA NA +PJ079171 VVKKKEW C44H73N11O10 915.5542 NA PeJP NA NA +PJ079172 GLKMRRR C37H73N17O8S 915.5549 NA PeJP NA NA +PJ079173 GTLLLLMR C41H77N11O10S 915.5576 NA PeJP NA NA +PJ079174 PLLLKFW C49H73N9O8 915.5583 NA PeJP NA NA +PJ079175 SLKKERR C38H73N15O11 915.5614 NA PeJP NA NA +PJ079176 GGDKKKKR C38H73N15O11 915.5615 NA PeJP NA NA +PJ079177 LLLLKMW C46H77N9O8S 915.5616 NA PeJP NA NA +PJ079178 STLLLLKE C42H77N9O13 915.5641 NA PeJP NA NA +PJ079179 SVLKKRW C43H73N13O9 915.5655 NA PeJP NA NA +PJ079180 LLQKKMR C40H77N13O9S 915.5688 NA PeJP NA NA +PJ079181 STLKRRR C37H73N17O10 915.5727 NA PeJP NA NA +PJ079182 STTILLLR C41H77N11O12 915.5753 NA PeJP NA NA +PJ079183 STTLLLLR C41H77N11O12 915.5754 NA PeJP NA NA +PJ079184 LLLKHHR C42H73N15O8 915.5767 NA PeJP NA NA +PJ079185 GPLLLLKY C46H77N9O10 915.5794 NA PeJP NA NA +PJ079186 VVKKMRR C39H77N15O8S 915.5801 NA PeJP NA NA +PJ079187 SVLLLLKM C43H81N9O10S 915.5828 NA PeJP NA NA +PJ079188 GTTLLKKR C40H77N13O11 915.5866 NA PeJP NA NA +PJ079189 TLLKKKW C45H77N11O9 915.5906 NA PeJP NA NA +PJ079190 GVLLKKKM C42H81N11O9S 915.594 NA PeJP NA NA +PJ079191 TQKKKKR C39H77N15O10 915.5978 NA PeJP NA NA +PJ079192 AKKKKKW C44H77N13O8 915.6018 NA PeJP NA NA +PJ079193 LLKKKMR C41H81N13O8S 915.6052 NA PeJP NA NA +PJ079194 SSLLLKKK C42H81N11O11 915.6117 NA PeJP NA NA +PJ079195 GLLLLLKF C47H81N9O9 915.6158 NA PeJP NA NA +PJ079196 KKKKKKE C41H81N13O10 915.623 NA PeJP NA NA +PJ079197 TKKKKKR C40H81N15O9 915.6342 NA PeJP NA NA +HMDB08750 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) C54H94NO8P 915.671692 NA HMDB2010 NA NA +HMDB08814 PC(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C54H94NO8P 915.671692 NA HMDB2010 NA NA +HMDB09739 PE(24:0/24:0) C53H106NO8P 915.765625 NA HMDB2010 NA NA +HMDB01192 Diadenosine pentaphosphate C20H29N10O22P5 916.014587 NA HMDB2010 NA NA +HMDB01192 Diadenosine pentaphosphate C20H29N10O22P5 916.01459 http://www.hmdb.ca/metabolites/HMDB01192 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01192 Diadenosine pentaphosphate C20H29N10O22P5 916.01459 http://www.hmdb.ca/metabolites/HMDB01192 HMDB NA NA +HMDB01192 Diadenosine pentaphosphate C20H29N10O22P5 916.01459 http://www.hmdb.ca/metabolites/HMDB01192 PFEM_hmdb_metabocards_blood NA blood +HMDB01192 Diadenosine pentaphosphate C20H29N10O22P5 916.01459 HMDB01192 PFEM_hmdb_metabocards_official NA NA +C04058 Bis(5'-adenosyl) pentaphosphate C20H29N10O22P5 916.0146 NA KEGG NA NA +C04061 Cytochrome c N6-methyl-L-lysine C8H15N3O2R2 916.0146 NA KEGG NA NA +MJ097649 Pterocarinin B C39H32O26 916.118181 NA MeJP NA NA +MJ097650 Assamicain A C44H36O22 916.169822 NA MeJP NA NA +MJ097651 Assamicain C C44H36O22 916.169822 NA MeJP NA NA +PJ079198 CCCCCDMH C30H48N10O11S6 916.1829 NA PeJP NA NA +PJ079199 CCCDDDDE C30H44N8O19S3 916.1885 NA PeJP NA NA +PJ079200 GPCCCCCND C30H48N10O13S5 916.2006 NA PeJP NA NA +PJ079201 GCCCCCYY C35H48N8O11S5 916.2046 NA PeJP NA NA +MetaCyc04308 siroheme [] C42H44N4O16FE1 916.210173 NA metacyc NA NA +C00748 Siroheme C42H44FeN4O16 916.2102 NA KEGG NA NA +PJ079202 CCCNNDDM C30H48N10O15S4 916.2184 NA PeJP NA NA +PJ079203 SCCCCMMH C31H52N10O10S6 916.2193 NA PeJP NA NA +PJ079204 SCCDDDEM C31H48N8O18S3 916.2249 NA PeJP NA NA +PJ079205 PCCCDDMM C32H52N8O13S5 916.2258 NA PeJP NA NA +PJ079206 GSCCCCNNN C29H48N12O14S4 916.2296 NA PeJP NA NA +PJ079207 GCCCCNEW C34H48N10O12S4 916.2336 NA PeJP NA NA +PJ079208 GGGCCCCEW C34H48N10O12S4 916.2337 NA PeJP NA NA +PJ079209 GSSCCCNDE C30H48N10O17S3 916.2361 NA PeJP NA NA +PJ079210 GGGSSCCCDE C30H48N10O17S3 916.2362 NA PeJP NA NA +PJ079211 GSPCCCCNM C31H52N10O12S5 916.237 NA PeJP NA NA +PJ079212 GCDDDDDY C34H44N8O20S 916.2393 NA PeJP NA NA +PJ079213 PCCCDDDF C35H48N8O15S3 916.2402 NA PeJP NA NA +MJ097652 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-(Bis-O-4-hydroxycinnamoyl-D-xyloside), 5-O-?-D-glucopyranoside C46H45O20(+) 916.242593 NA MeJP NA NA +PJ079214 GCDDDMMM C32H52N8O15S4 916.2435 NA PeJP NA NA +PJ079215 PCCCCDHH C33H48N12O11S4 916.2449 NA PeJP NA NA +PJ079216 CCCCNWW C38H48N10O9S4 916.2489 NA PeJP NA NA +PJ079217 SSCCCNDW C34H48N10O14S3 916.2514 NA PeJP NA NA +PJ079218 ACCCCMHF C35H52N10O9S5 916.2523 NA PeJP NA NA +PJ079219 SSSSCCNDD C30H48N10O19S2 916.2539 NA PeJP NA NA +PJ079220 SCCNNDMM C31H52N10O14S4 916.2548 NA PeJP NA NA +PJ079221 SPCCDDDY C35H48N8O17S2 916.2579 NA PeJP NA NA +PJ079222 CCDEMMW C36H52N8O12S4 916.2588 NA PeJP NA NA +PJ079223 SSCDDEMM C32H52N8O17S3 916.2613 NA PeJP NA NA +PJ079224 SPCCDMMM C33H56N8O12S5 916.2622 NA PeJP NA NA +PJ079225 GCCDDMHH C33H48N12O13S3 916.2626 NA PeJP NA NA +FL5FAAGA0047 Kaempferol 3-ferulylrobinobioside-7-rhamnoside C43H48O22 916.26372 107742-08-5 knapsack NA NA +FL5FAAGS0068 Kaempferol 3-rhamnoside-7-[6'''-ferulyglucosyl-(1->3)-rhamnoside] C43H48O22 916.26372 131989-73-6 knapsack NA NA +FL5FADGA0026 Isorhamnetin 3-(4''-p-coumarylrobinobioside)-7-rhamnoside C43H48O22 916.26372 107742-09-6 knapsack NA NA +FL5FCCGA0009 Rhamnetin 3-(3''''-p-coumaryl-rhamnosyl)(1->3)-rhamnosyl-(1->6)-galactoside C43H48O22 916.26372 159935-07-6 knapsack NA NA +MJ097653 3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[4-Hydroxycinnamoyl-(?3)-?-L-rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] C43H48O22 916.263723 NA MeJP NA NA +MJ097654 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[4-Hydroxycinnamoyl(??)-[rhamnosyl-(1??)]galactoside], 7-O-?-L-rhamnopyranoside C43H48O22 916.263723 NA MeJP NA NA +MJ097655 3,4',5,7-Tetrahydroxyflavone; 3-O-(4-Hydroxy-3-methoxycinnamoylrobinobioside) C43H48O22 916.263723 NA MeJP NA NA +MJ097656 3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-[4-hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranoside] C43H48O22 916.263723 NA MeJP NA NA +MJ097657 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside]], 5-O-?-D-glucopyranoside C43H49O22(+) 916.263723 NA MeJP NA NA +MJ097658 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?4)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C43H49O22(+) 916.263723 NA MeJP NA NA +PJ079226 SCCCCNER C30H52N12O13S4 916.266 NA PeJP NA NA +PJ079227 GDDDDDEH C33H44N10O21 916.2683 NA PeJP NA NA +PJ079228 GCCNNDEY C34H48N10O16S2 916.2692 NA PeJP NA NA +PJ079229 GSCCCQMW C35H52N10O11S4 916.27 NA PeJP NA NA +PJ079230 GSSSCCNEM C31H52N10O16S3 916.2725 NA PeJP NA NA +PJ079231 CCDDEFW C39H48N8O14S2 916.2732 NA PeJP NA NA +PJ079232 GCCNQMMM C32H56N10O11S5 916.2734 NA PeJP NA NA +PJ079233 SCCCNNHH C32H48N14O12S3 916.2739 NA PeJP NA NA +PJ079234 GSDDDDMY C35H48N8O19S 916.2757 NA PeJP NA NA +PJ079235 GPCCDEMY C36H52N8O14S3 916.2766 NA PeJP NA NA +PJ079236 CCCEHHW C37H48N12O10S3 916.2779 NA PeJP NA NA +PJ079237 GSDDMMMM C33H56N8O14S4 916.2799 NA PeJP NA NA +PJ079238 SSCCDEHH C33H48N12O15S2 916.2804 NA PeJP NA NA +PJ079239 APCCMMMM C34H60N8O9S6 916.2808 NA PeJP NA NA +PJ079240 GSCCCCRW C34H52N12O10S4 916.2813 NA PeJP NA NA +PJ079241 DDDDDHW C37H44N10O18 916.2835 NA PeJP NA NA +PJ079242 GSSSCCCDR C30H52N12O15S3 916.2838 NA PeJP NA NA +PJ079243 CCNNDYW C38H48N10O13S2 916.2844 NA PeJP NA NA +PJ079244 GCCCNMMR C31H56N12O10S5 916.2846 NA PeJP NA NA +FL3FABGS0020 Acacetin 7-rhamnosyl-(1->2)-glucosyl-(1->2)-glucosyl-(1->2)-glucoside;7-([O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl]oxy)-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one C40H52O24 916.28485 183964-93-4 knapsack NA NA +FL5FADGA0019 Isorhamnetin 3-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]-7-rhamnoside C40H52O24 916.28485 107585-66-0 knapsack NA NA +FL5FADGS0027 Isorhamnetin 3-(2G-rhamnosylrutinoside)-7-rhamnoside;Quercetin 3'-methyl ether;3-(2G-rhamnosylrutinoside)-7-rhamnoside;3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C40H52O24 916.28485 154171-32-1 knapsack NA NA +MJ097659 3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-galactopyranoside], 7-O-?-L-rhamnopyranoside C40H52O24 916.284852 NA MeJP NA NA +MJ097660 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2'',6''-Di-O-?-L-rhamnopyranosyl, 7-O-?-L-rhamnopyranoside C40H52O24 916.284852 NA MeJP NA NA +MJ097661 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C40H52O24 916.284852 NA MeJP NA NA +MJ097662 Sucrose; 3',6-Bis-O-(4-hydroxy-3,5-dimethoxycinnamoyl), 3-O-?-D-glucopyranoside C40H52O24 916.284852 NA MeJP NA NA +PJ079245 SSCNNDDY C34H48N10O18S 916.2869 NA PeJP NA NA +PJ079246 SSSCCNMW C35H52N10O13S3 916.2878 NA PeJP NA NA +PJ079247 SSSSSCNDM C31H52N10O18S2 916.2903 NA PeJP NA NA +PJ079248 SCDDEYW C39H48N8O16S 916.2909 NA PeJP NA NA +PJ079249 SSCNNMMM C32H56N10O13S4 916.2911 NA PeJP NA NA +PJ079250 GGSSCNMMM C32H56N10O13S4 916.2912 NA PeJP NA NA +PJ079251 PCCDMYW C40H52N8O11S3 916.2918 NA PeJP NA NA +PJ079252 SSSDDDEY C35H48N8O21 916.2934 NA PeJP NA NA +PJ079253 PPDDDDDE C35H48N8O21 916.2935 NA PeJP NA NA +PJ079254 NDDEMMY C36H52N8O16S2 916.2943 NA PeJP NA NA +PJ079255 SCEMMMW C37H56N8O11S4 916.2952 NA PeJP NA NA +PJ079256 ACCCCCRR C30H56N14O9S5 916.2959 NA PeJP NA NA +PJ079257 SSSDEMMM C33H56N8O16S3 916.2977 NA PeJP NA NA +PJ079258 ACNNDDEH C33H48N12O17S 916.2981 NA PeJP NA NA +PJ079259 GNNDDDMH C33H48N12O17S 916.2982 NA PeJP NA NA +PJ079260 NEMMMMM C34H60N8O11S5 916.2985 NA PeJP NA NA +PJ079261 GGEMMMMM C34H60N8O11S5 916.2986 NA PeJP NA NA +PJ079262 GCCCNDFR C34H52N12O12S3 916.299 NA PeJP NA NA +PJ079263 SSCCCQMR C31H56N12O12S4 916.3024 NA PeJP NA NA +PJ079264 CCNNMFW C39H52N10O10S3 916.303 NA PeJP NA NA +PJ079265 GGGGCCMFW C39H52N10O10S3 916.3031 NA PeJP NA NA +PJ079266 GSDDEEEH C34H48N10O20 916.3047 NA PeJP NA NA +PJ079267 GSSSSTCCW C35H52N10O15S2 916.3055 NA PeJP NA NA +PJ079268 GGGGGSCEMY C35H52N10O15S2 916.3056 NA PeJP NA NA +PJ079269 GSCCCKMW C36H56N10O10S4 916.3064 NA PeJP NA NA +PJ079270 GSSSSSSSCE C31H52N10O20S 916.308 NA PeJP NA NA +PJ079271 NDDDEFY C39H48N8O18 916.3087 NA PeJP NA NA +PJ079272 GSSSSCQMM C32H56N10O15S3 916.3089 NA PeJP NA NA +PJ079273 SCNNNNDH C32H48N14O16S 916.3094 NA PeJP NA NA +PJ079274 GDDMMYW C40H52N8O13S2 916.3096 NA PeJP NA NA +PJ079275 CDMMMMR C33H60N10O10S5 916.3098 NA PeJP NA NA +PJ079276 PCCMMFW C41H56N8O8S4 916.3104 NA PeJP NA NA +PJ079277 GSSDEEMY C36H52N8O18S 916.3121 NA PeJP NA NA +PJ079278 GSPCEMMY C37H56N8O13S3 916.3129 NA PeJP NA NA +PJ079279 CNNDEHW C37H48N12O14S 916.3134 NA PeJP NA NA +PJ079280 SSCCCCRR C30H56N14O11S4 916.3136 NA PeJP NA NA +PJ079281 GMMMMMW C38H60N8O8S5 916.3138 NA PeJP NA NA +PJ079282 TCCMHHW C38H52N12O9S3 916.3143 NA PeJP NA NA +PJ079283 SSNNDDEH C33H48N12O19 916.3159 NA PeJP NA NA +PJ079284 GSTEMMMM C34H60N8O13S4 916.3163 NA PeJP NA NA +PJ079285 GSCCNDRY C34H52N12O14S2 916.3168 NA PeJP NA NA +PJ079286 CQMMMHH C35H56N12O9S4 916.3176 NA PeJP NA NA +PJ079287 GACMMMHH C35H56N12O9S4 916.3177 NA PeJP NA NA +PJ079288 GSCCHHHH C35H48N16O10S2 916.3181 NA PeJP NA NA +PJ079289 SDDEEHW C38H48N10O17 916.3199 NA PeJP NA NA +PJ079290 GSSSSCCMR C31H56N12O14S3 916.3201 NA PeJP NA NA +PJ079291 SCNNMYW C39H52N10O12S2 916.3208 NA PeJP NA NA +PJ079292 ACCCCKMR C32H60N12O9S5 916.321 NA PeJP NA NA +PJ079293 SSSSSSSCW C35H52N10O17S 916.3233 NA PeJP NA NA +PJ079294 GDDDFYW C43H48N8O15 916.324 NA PeJP NA NA +PJ079295 SSTCCCKW C36H56N10O12S3 916.3242 NA PeJP NA NA +PJ079296 GPCDDHHH C36H48N14O13S 916.3247 NA PeJP NA NA +PJ079297 CEMYWW C44H52N8O10S2 916.3248 NA PeJP NA NA +PJ079298 SSSSSSSSSD C31H52N10O22 916.3258 NA PeJP NA NA +PJ079299 SSSSSSNMM C32H56N10O17S2 916.3266 NA PeJP NA NA +PJ079300 GGSSSSSSMM C32H56N10O17S2 916.3267 NA PeJP NA NA +PJ079301 SSDEMYW C40H52N8O15S 916.3273 NA PeJP NA NA +PJ079302 SSCCQKMM C33H60N10O12S4 916.3275 NA PeJP NA NA +PJ079303 GCNNNQMH C33H52N14O13S2 916.328 NA PeJP NA NA +PJ079304 SPCMMYW C41H56N8O10S3 916.3282 NA PeJP NA NA +PJ079305 GCNDHWW C41H48N12O11S 916.3287 NA PeJP NA NA +PJ079306 CCMMHHR C34H56N14O8S4 916.3289 NA PeJP NA NA +PJ079307 SSSSEEEY C36H52N8O20 916.3298 NA PeJP NA NA +PJ079308 SQEEMMY C37H56N8O15S2 916.3307 NA PeJP NA NA +PJ079309 GSSNDDHW C37H48N12O16 916.3312 NA PeJP NA NA +PJ079310 DMYYYY C45H52N6O13S 916.3313 NA PeJP NA NA +PJ079311 STMMMMW C38H60N8O10S4 916.3315 NA PeJP NA NA +PJ079312 PNMMMMY C38H60N8O10S4 916.3316 NA PeJP NA NA +PJ079313 GSPCCQHW C38H52N12O11S2 916.332 NA PeJP NA NA +PJ079314 SSTTEMMM C34H60N8O15S3 916.3341 NA PeJP NA NA +PJ079315 DDDEMHR C34H52N12O16S 916.3345 NA PeJP NA NA +PJ079316 GGGGGSEEMH C34H52N12O16S 916.3346 NA PeJP NA NA +PJ079317 DKMMMMM C35H64N8O10S5 916.3349 NA PeJP NA NA +PJ079318 CCNQMRY C35H56N12O11S3 916.3354 NA PeJP NA NA +PJ079319 CCNHFFF C43H52N10O9S2 916.3361 NA PeJP NA NA +PJ079320 SSSSSTCCR C31H56N12O16S2 916.3379 NA PeJP NA NA +PJ079321 GSSSCQYW C39H52N10O14S 916.3385 NA PeJP NA NA +PJ079322 GGGSSTCYW C39H52N10O14S 916.3386 NA PeJP NA NA +PJ079323 SSCCCKMR C32H60N12O11S4 916.3388 NA PeJP NA NA +PJ079324 GCCNNNHR C32H52N16O12S2 916.3392 NA PeJP NA NA +PJ079325 GGGCCNNHR C32H52N16O12S2 916.3393 NA PeJP NA NA +PJ079326 CCCQKFW C40H56N10O9S3 916.3394 NA PeJP NA NA +PJ079327 GSSSSSNEY C35H52N10O19 916.341 NA PeJP NA NA +PJ079328 GGGSSSSSEY C35H52N10O19 916.3411 NA PeJP NA NA +PJ079329 SDDMMRY C36H56N10O14S2 916.3419 NA PeJP NA NA +PJ079330 NDEEHHH C36H48N14O15 916.3424 NA PeJP NA NA +PJ079331 GPCEYYW C44H52N8O12S 916.3426 NA PeJP NA NA +PJ079332 APPCMMMH C37H60N10O9S4 916.3428 NA PeJP NA NA +PJ079333 CCDHHFR C37H52N14O10S2 916.3433 NA PeJP NA NA +PJ079334 GSSSSSSSTM C32H56N10O19S 916.3444 NA PeJP NA NA +PJ079335 GQEEEYY C40H52N8O17 916.3451 NA PeJP NA NA +PJ079336 GSSSSCKMM C33H60N10O14S3 916.3453 NA PeJP NA NA +PJ079337 GSCNDEHR C33H52N14O15S 916.3458 NA PeJP NA NA +PJ079338 GTEMMYW C41H56N8O12S2 916.3459 NA PeJP NA NA +PJ079339 GGPDMMFY C41H56N8O12S2 916.346 NA PeJP NA NA +PJ079340 SMMMMMR C34H64N10O9S5 916.3462 NA PeJP NA NA +PJ079341 CCCNRRY C34H56N14O10S3 916.3466 NA PeJP NA NA +PJ079342 GGGPCCMHR C34H56N14O10S3 916.3467 NA PeJP NA NA +PJ079343 GCMHHFW C42H52N12O8S2 916.3473 NA PeJP NA NA +PJ079344 GSTTEEMY C37H56N8O17S 916.3484 NA PeJP NA NA +PJ079345 GPPEEEEM C37H56N8O17S 916.3485 NA PeJP NA NA +PJ079346 VNEMMMY C38H60N8O12S3 916.3493 NA PeJP NA NA +PJ079347 SNNEMHW C38H52N12O13S 916.3498 NA PeJP NA NA +PJ079348 MMFYYY C46H56N6O10S2 916.35 NA PeJP NA NA +PJ079349 GPNDDDER C34H52N12O18 916.3523 NA PeJP NA NA +PJ079350 SSSLMMMM C35H64N8O12S4 916.3527 NA PeJP NA NA +PJ079351 GSSCNMRY C35H56N12O13S2 916.3532 NA PeJP NA NA +PJ079352 GSNNDHHH C35H48N16O14 916.3536 NA PeJP NA NA +PJ079353 GGGGGSDHHH C35H48N16O14 916.3537 NA PeJP NA NA +PJ079354 EEMHWW C43H52N10O11S 916.3538 NA PeJP NA NA +PJ079355 CKMMMHH C36H60N12O8S4 916.354 NA PeJP NA NA +PJ079356 SSSSSNYW C39H52N10O16 916.3563 NA PeJP NA NA +PJ079357 SCCQKYW C40H56N10O11S2 916.3572 NA PeJP NA NA +PJ079358 GDEHHHW C40H48N14O12 916.3577 NA PeJP NA NA +PJ079359 PCYYWW C48H52N8O9S 916.3578 NA PeJP NA NA +PJ079360 SSSSQQMY C36H56N10O16S 916.3597 NA PeJP NA NA +PJ079361 QEEYYW C44H52N8O14 916.3603 NA PeJP NA NA +PJ079362 ADMMMRY C37H60N10O11S3 916.3605 NA PeJP NA NA +PJ079363 GEMMMRY C37H60N10O11S3 916.3606 NA PeJP NA NA +PJ079364 SCNDHRW C37H52N14O12S 916.361 NA PeJP NA NA +PJ079365 TMMYWW C45H56N8O9S2 916.3612 NA PeJP NA NA +PJ079366 SSSSSSSSTT C32H56N10O21 916.3622 NA PeJP NA NA +PJ079367 SSSSSTCKM C33H60N10O16S2 916.363 NA PeJP NA NA +PJ079368 SSSNDDHR C33H52N14O17 916.3635 NA PeJP NA NA +PJ079369 GGGGGGGGGQQE C33H52N14O17 916.3636 NA PeJP NA NA +PJ079370 STTEMYW C41H56N8O14S 916.3637 NA PeJP NA NA +PJ079371 SSCCKKMM C34H64N10O11S4 916.3639 NA PeJP NA NA +PJ079372 DFFYYY C49H52N6O12 916.3643 NA PeJP NA NA +PJ079373 NNDMMHR C34H56N14O12S2 916.3644 NA PeJP NA NA +PJ079374 GVMMMYW C42H60N8O9S3 916.3646 NA PeJP NA NA +PJ079375 GSNMHWW C42H52N12O10S 916.365 NA PeJP NA NA +PJ079376 GGGSMHWW C42H52N12O10S 916.3651 NA PeJP NA NA +PJ079377 SSTTTEEY C37H56N8O19 916.3662 NA PeJP NA NA +PJ079378 SKEEMMY C38H60N8O14S2 916.3671 NA PeJP NA NA +PJ079379 GSSSQEHW C38H52N12O15 916.3675 NA PeJP NA NA +PJ079380 PNDDDRW C38H52N12O15 916.3676 NA PeJP NA NA +PJ079381 VQMMMMF C39H64N8O9S4 916.3679 NA PeJP NA NA +PJ079382 GGLMMMMF C39H64N8O9S4 916.368 NA PeJP NA NA +PJ079383 GQQMMHW C39H56N12O10S2 916.3684 NA PeJP NA NA +PJ079384 TTTTTMMM C35H64N8O14S3 916.3704 NA PeJP NA NA +PJ079385 SSSSCQRY C35H56N12O15S 916.3709 NA PeJP NA NA +PJ079386 GGGGGGGAAPEM C35H56N12O15S 916.371 NA PeJP NA NA +PJ079387 GPNEEWW C43H52N10O13 916.3716 NA PeJP NA NA +PJ079388 CCNKMRY C36H60N12O10S3 916.3718 NA PeJP NA NA +PJ079389 NNQMHHH C36H52N16O11S 916.3722 NA PeJP NA NA +PJ079390 GGNQMHHH C36H52N16O11S 916.3723 NA PeJP NA NA +PJ079391 PPCMHFW C44H56N10O8S2 916.3724 NA PeJP NA NA +PJ079392 DHHHWW C44H48N14O9 916.3729 NA PeJP NA NA +PJ079393 GNNNNNDR C32H52N16O16 916.3748 NA PeJP NA NA +PJ079394 GSSSCKYW C40H56N10O13S 916.3749 NA PeJP NA NA +PJ079395 GGGSPPEMW C40H56N10O13S 916.375 NA PeJP NA NA +PJ079396 AEYYWW C48H52N8O11 916.3756 NA PeJP NA NA +PJ079397 MMMRYW C41H60N10O8S3 916.3758 NA PeJP NA NA +PJ079398 PTCHHHW C41H52N14O9S 916.3763 NA PeJP NA NA +PJ079399 GSSSSSDKY C36H56N10O18 916.3774 NA PeJP NA NA +PJ079400 GPNDKEEE C36H56N10O18 916.3775 NA PeJP NA NA +PJ079401 STEMMRY C37H60N10O13S2 916.3783 NA PeJP NA NA +PJ079402 NNNNQQW C37H52N14O14 916.3788 NA PeJP NA NA +PJ079403 GPTMYYW C45H56N8O11S 916.379 NA PeJP NA NA +PJ079404 AMMMMFR C38H64N10O8S4 916.3792 NA PeJP NA NA +PJ079405 ACNMHRW C38H56N14O9S2 916.3796 NA PeJP NA NA +PJ079406 GCQMHRW C38H56N14O9S2 916.3797 NA PeJP NA NA +PJ079407 SVQEEYY C41H56N8O16 916.3814 NA PeJP NA NA +PJ079408 PVEEEEW C41H56N8O16 916.3815 NA PeJP NA NA +PJ079409 SSCNNQKH C34H56N14O14S 916.3821 NA PeJP NA NA +PJ079410 GSSNEMHR C34H56N14O14S 916.3822 NA PeJP NA NA +PJ079411 SSLMMYW C42H60N8O11S2 916.3823 NA PeJP NA NA +PJ079412 SSSQHWW C42H52N12O12 916.3828 NA PeJP NA NA +PJ079413 MFFFYY C50H56N6O9S 916.383 NA PeJP NA NA +PJ079414 CNNHHHR C35H52N18O10S 916.3835 NA PeJP NA NA +PJ079415 SSSTLEMY C38H60N8O16S 916.3848 NA PeJP NA NA +PJ079416 VDKMMMY C39H64N8O11S3 916.3857 NA PeJP NA NA +PJ079417 GSPPCDRW C39H56N12O12S 916.3862 NA PeJP NA NA +PJ079418 PNEWWW C47H52N10O10 916.3868 NA PeJP NA NA +PJ079419 GSSSSSSRY C35H56N12O17 916.3887 NA PeJP NA NA +PJ079420 GSTCCKRY C36H60N12O12S2 916.3895 NA PeJP NA NA +PJ079421 LDDMMHR C36H60N12O12S2 916.3896 NA PeJP NA NA +PJ079422 SDEHHHR C36H52N16O13 916.39 NA PeJP NA NA +PJ079423 GGGGGGGGAPHH C36H52N16O13 916.3901 NA PeJP NA NA +PJ079424 SPPNMWW C44H56N10O10S 916.3902 NA PeJP NA NA +PJ079425 GCCHRRW C37H56N16O8S2 916.3909 NA PeJP NA NA +PJ079426 PNDKEEW C40H56N10O15 916.3927 NA PeJP NA NA +PJ079427 GSSCDHRR C33H56N16O13S 916.3934 NA PeJP NA NA +PJ079428 SCCKKYW C41H60N10O10S2 916.3936 NA PeJP NA NA +PJ079429 ATEHHHW C41H52N14O11 916.394 NA PeJP NA NA +PJ079430 GGPEHHHF C41H52N14O11 916.3941 NA PeJP NA NA +PJ079431 CLFYWW C49H56N8O8S 916.3942 NA PeJP NA NA +PJ079432 SSSSQKMY C37H60N10O15S 916.3961 NA PeJP NA NA +PJ079433 KEEYYW C45H56N8O13 916.3967 NA PeJP NA NA +PJ079434 SVMMMRY C38H64N10O10S3 916.3969 NA PeJP NA NA +PJ079435 GGPPPCKMM C38H64N10O10S3 916.397 NA PeJP NA NA +PJ079436 SSNMHRW C38H56N14O11S 916.3974 NA PeJP NA NA +PJ079437 GVMMFFW C46H60N8O8S2 916.3976 NA PeJP NA NA +PJ079438 NQHFWW C46H52N12O9 916.3981 NA PeJP NA NA +PJ079439 GSPDDDRR C34H56N14O16 916.3999 NA PeJP NA NA +PJ079440 GGGGGGGGGAADK C34H56N14O16 916.4 NA PeJP NA NA +PJ079441 SPKEMYY C42H60N8O13S 916.4001 NA PeJP NA NA +PJ079442 VFYYYY C50H56N6O11 916.4007 NA PeJP NA NA +PJ079443 GPPCCERR C35H60N14O11S2 916.4008 NA PeJP NA NA +PJ079444 GTCKHWW C43H56N12O9S 916.4014 NA PeJP NA NA +7883 peptide from tropomyosin, pork muscles EELDNALN 916.4017 antibacterial Inhouse_peptide NA peptide +PJ079445 GPWWWW C51H52N10O7 916.4021 NA PeJP NA NA +PJ079446 TTTTTTEY C38H60N8O18 916.4026 NA PeJP NA NA +32 Myofibrillar EELDNALN 916.403 celiac toxic Inhouse_peptide NA peptide +PJ079447 GTTTLMMY C39H64N8O13S2 916.4035 NA PeJP NA NA +PJ079448 SPNEERW C39H56N12O14 916.4039 NA PeJP NA NA +PJ079449 GGGGGGLQEW C39H56N12O14 916.404 NA PeJP NA NA +PJ079450 VKMMMMF C40H68N8O8S4 916.4043 NA PeJP NA NA +PJ079451 PPCQMRW C40H60N12O9S2 916.4048 NA PeJP NA NA +PJ079452 SSSSCKRY C36H60N12O14S 916.4073 NA PeJP NA NA +PJ079453 TERYYW C44H56N10O12 916.4079 NA PeJP NA NA +PJ079454 GPDKEWW C44H56N10O12 916.408 NA PeJP NA NA +PJ079455 APCCKKMH C37H64N12O9S3 916.4082 NA PeJP NA NA +PJ079456 AEMHHHR C37H56N16O10S 916.4086 NA PeJP NA NA +PJ079457 CLDHHHR C37H56N16O10S 916.4087 NA PeJP NA NA +PJ079458 MMFFRW C45H60N10O7S2 916.4088 NA PeJP NA NA +PJ079459 GPHHHFW C45H52N14O8 916.4093 NA PeJP NA NA +PJ079460 NNNDERR C33H56N16O15 916.4111 NA PeJP NA NA +PJ079461 GGNNDERR C33H56N16O15 916.4112 NA PeJP NA NA +PJ079462 TTLEMHW C41H60N10O12S 916.4113 NA PeJP NA NA +PJ079463 SLYYWW C49H56N8O10 916.412 NA PeJP NA NA +PJ079464 GLMHHHW C42H56N14O8S 916.4127 NA PeJP NA NA +PJ079465 GSSSSTTKY C37H60N10O17 916.4138 NA PeJP NA NA +PJ079466 GGGGGLLEEE C37H60N10O17 916.4139 NA PeJP NA NA +PJ079467 GSTCKKMY C38H64N10O12S2 916.4147 NA PeJP NA NA +PJ079468 GSSSTHRW C38H56N14O13 916.4152 NA PeJP NA NA +PJ079469 AALMYYW C46H60N8O10S 916.4153 NA PeJP NA NA +PJ079470 GGPVMFFY C46H60N8O10S 916.4154 NA PeJP NA NA +PJ079471 PPCCRRW C39H60N14O8S2 916.416 NA PeJP NA NA +PJ079472 VNHHHHH C39H52N18O9 916.4165 NA PeJP NA NA +PJ079473 SVKEEYY C42H60N8O15 916.4178 NA PeJP NA NA +PJ079474 SPPPVEEY C42H60N8O15 916.4179 NA PeJP NA NA +PJ079475 PNDEMRR C35H60N14O13S 916.4185 NA PeJP NA NA +PJ079476 GGPDEMRR C35H60N14O13S 916.4186 NA PeJP NA NA +PJ079477 PCLKMYY C43H64N8O10S2 916.4187 NA PeJP NA NA +PJ079478 GSPERWW C43H56N12O11 916.4192 NA PeJP NA NA +PJ079479 STTTTLMY C39H64N8O15S 916.4212 NA PeJP NA NA +PJ079480 TLKMMMY C40H68N8O10S3 916.4221 NA PeJP NA NA +PJ079481 STQKMHW C40H60N12O11S 916.4225 NA PeJP NA NA +PJ079482 APQEMRW C40H60N12O11S 916.4226 NA PeJP NA NA +PJ079483 PDKWWW C48H56N10O9 916.4232 NA PeJP NA NA +PJ079484 SCCHRRR C33H60N18O9S2 916.4233 NA PeJP NA NA +PJ079485 SSSSSPTKH C36H60N12O16 916.425 NA PeJP NA NA +PJ079486 VQQEEER C36H60N12O16 916.4251 NA PeJP NA NA +PJ079487 TLEMMHR C37H64N12O11S2 916.4259 NA PeJP NA NA +PJ079488 GGGAPPCCKK C37H64N12O11S2 916.426 NA PeJP NA NA +PJ079489 GNNDRRW C37H56N16O12 916.4264 NA PeJP NA NA +PJ079490 GPLQMWW C45H60N10O9S 916.4266 NA PeJP NA NA +PJ079491 GHHHHHR C38H52N20O8 916.4278 NA PeJP NA NA +PJ079492 PTQKEEW C41H60N10O14 916.4291 NA PeJP NA NA +PJ079493 PCDDRRR C34H60N16O12S 916.4298 NA PeJP NA NA +PJ079494 SLLMMHW C42H64N10O9S2 916.4299 NA PeJP NA NA +PJ079495 VTLMMHW C42H64N10O9S2 916.43 NA PeJP NA NA +MJ097663 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-glucopyranoside] C44H68O20 916.430394 NA MeJP NA NA +PJ079496 NQQRWW C42H56N14O10 916.4304 NA PeJP NA NA +PJ079497 SSSSKKMY C38H64N10O14S 916.4324 NA PeJP NA NA +PJ079498 SSTILEMH C38H64N10O14S 916.4325 NA PeJP NA NA +PJ079499 ATTLYYW C46H60N8O12 916.4331 NA PeJP NA NA +PJ079500 AALLMMMH C39H68N10O9S3 916.4333 NA PeJP NA NA +PJ079501 GPDMRRW C39H60N14O10S 916.4338 NA PeJP NA NA +PJ079502 SPRWWW C47H56N12O8 916.4344 NA PeJP NA NA +PJ079503 GGKHFWW C47H56N12O8 916.4345 NA PeJP NA NA +PJ079504 AQEEERR C35H60N14O15 916.4363 NA PeJP NA NA +PJ079505 PLLEEMW C43H64N8O12S 916.4365 NA PeJP NA NA +PJ079506 GPPTCMRR C36H64N14O10S2 916.4372 NA PeJP NA NA +MJ097664 Brevetoxin C C49H69ClO14 916.437584 NA MeJP NA NA +PJ079507 AAPMRWW C44H60N12O8S 916.4378 NA PeJP NA NA +PJ079508 GVLLEEEE C39H64N8O17 916.439 NA PeJP NA NA +PJ079509 SPPLLEMM C40H68N8O12S2 916.4399 NA PeJP NA NA +PJ079510 GLQEERW C40H60N12O13 916.4403 NA PeJP NA NA +PJ079511 GGGGGGGAAPLF C40H60N12O13 916.4404 NA PeJP NA NA +PJ079512 PPCKMRW C41H64N12O8S2 916.4412 NA PeJP NA NA +PJ079513 GPQHHRW C41H56N16O9 916.4417 NA PeJP NA NA +PJ079514 PQKEEMR C37H64N12O13S 916.4437 NA PeJP NA NA +PJ079515 APTKEWW C45H60N10O11 916.4443 NA PeJP NA NA +PJ079516 GGGLLEWW C45H60N10O11 916.4444 NA PeJP NA NA +PJ079517 VLMMMHR C38H68N12O8S3 916.4446 NA PeJP NA NA +PJ079518 GNMHFRR C38H60N16O9S 916.445 NA PeJP NA NA +PJ079519 GDEERRR C34H60N16O14 916.4475 NA PeJP NA NA +PJ079520 GGGGGATERR C34H60N16O14 916.4476 NA PeJP NA NA +PJ079521 PVQKEMW C42H64N10O11S 916.4477 NA PeJP NA NA +PJ079522 AALFFYW C50H60N8O9 916.4484 NA PeJP NA NA +PJ079523 LLEEEER C38H64N10O16 916.4502 NA PeJP NA NA +PJ079524 ATTLLMMH C39H68N10O11S2 916.4511 NA PeJP NA NA +PJ079525 ANNKERW C39H60N14O12 916.4515 NA PeJP NA NA +PJ079526 AAEERRW C39H60N14O12 916.4516 NA PeJP NA NA +PJ079527 PCLKFFY C47H64N8O9S 916.4517 NA PeJP NA NA +PJ079528 PPHHHHR C40H56N18O8 916.4529 NA PeJP NA NA +PJ079529 VLLEEEW C43H64N8O14 916.4542 NA PeJP NA NA +PJ079530 PTQEMRR C36H64N14O12S 916.4549 NA PeJP NA NA +PJ079531 GGGGGGGVLMR C36H64N14O12S 916.455 NA PeJP NA NA +PJ079532 VVKMMFY C44H68N8O9S2 916.4551 NA PeJP NA NA +PJ079533 LQERWW C44H60N12O10 916.4556 NA PeJP NA NA +PJ079534 SPVLLEEM C40H68N8O14S 916.4576 NA PeJP NA NA +PJ079535 PPVVLMMM C41H72N8O9S3 916.4585 NA PeJP NA NA +PJ079536 SNNDRRR C33H60N18O13 916.4588 NA PeJP NA NA +PJ079537 APKEMRW C41H64N12O10S 916.4589 NA PeJP NA NA +PJ079538 GGPTLMRW C41H64N12O10S 916.459 NA PeJP NA NA +PJ079539 VLQWWW C49H60N10O8 916.4596 NA PeJP NA NA +PJ079540 VQKEEER C37H64N12O15 916.4614 NA PeJP NA NA +PJ079541 GGLKEEER C37H64N12O15 916.4615 NA PeJP NA NA +PJ079542 GPPTKMMR C38H68N12O10S2 916.4623 NA PeJP NA NA +PJ079543 DERRRW C38H60N16O11 916.4628 NA PeJP NA NA +PJ079544 GPLKMWW C46H64N10O8S 916.463 NA PeJP NA NA +PJ079545 PTKKEEW C42H64N10O13 916.4655 NA PeJP NA NA +PJ079546 AQQQMRR C35H64N16O11S 916.4661 NA PeJP NA NA +PJ079547 SPDMRRR C35H64N16O11S 916.4662 NA PeJP NA NA +PJ079548 PPKKMMW C43H68N10O8S2 916.4663 NA PeJP NA NA +MJ097665 3,26-Dihydroxy-23-hydroxymethylfurost-20(22)-en-6-one, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H72O19 916.46678 NA MeJP NA NA +MJ097666 3-Hydroxyspirostan-12-one, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C45H72O19 916.46678 NA MeJP NA NA +MJ097667 3-Hydroxyspirostan-12-one, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C45H72O19 916.46678 NA MeJP NA NA +MJ097668 3-Hydroxyspirostan-12-one, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] C45H72O19 916.46678 NA MeJP NA NA +MJ097669 Spirost-5-ene-3,15,23-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?2)]-?-D-galactopyranoside] C45H72O19 916.46678 NA MeJP NA NA +MJ097670 Spirost-7-ene-2,3,5-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?3)]-?-D-glucopyranoside] C45H72O19 916.46678 NA MeJP NA NA +PJ079549 VDRRWW C43H60N14O9 916.4668 NA PeJP NA NA +PJ079550 TTTTLLMH C39H68N10O13S 916.4688 NA PeJP NA NA +PJ079551 GPVKKEEM C39H68N10O13S 916.4689 NA PeJP NA NA +PJ079552 PPLLEYW C47H64N8O11 916.4695 NA PeJP NA NA +PJ079553 APTMRRW C40H64N14O9S 916.4702 NA PeJP NA NA +PJ079554 ALRWWW C48H60N12O7 916.4708 NA PeJP NA NA +PJ079555 AKEEERR C36H64N14O14 916.4727 NA PeJP NA NA +PJ079556 SLLKMYY C44H68N8O11S 916.4728 NA PeJP NA NA +PJ079557 SPPPLLMY C44H68N8O11S 916.4729 NA PeJP NA NA +PJ079558 SKKMMHR C37H68N14O9S2 916.4735 NA PeJP NA NA +PJ079559 PVQMMRR C37H68N14O9S2 916.4736 NA PeJP NA NA +PJ079560 SPQHHRR C37H60N18O10 916.474 NA PeJP NA NA +PJ079561 ATLLLEEE C40H68N8O16 916.4754 NA PeJP NA NA +PJ079562 APLLLEMM C41H72N8O11S2 916.4762 NA PeJP NA NA +PJ079563 GLKEERW C41H64N12O12 916.4767 NA PeJP NA NA +PJ079564 GNQMRRR C34H64N18O10S 916.4774 NA PeJP NA NA +PJ079565 ALHHHFR C42H60N16O8 916.478 NA PeJP NA NA +PJ079566 GPKHHRW C42H60N16O8 916.4781 NA PeJP NA NA +PJ079567 PKKEEMR C38H68N12O12S 916.4801 NA PeJP NA NA +PJ079568 GVLKEWW C46H64N10O10 916.4807 NA PeJP NA NA +PJ079569 ACKHFRR C39H64N16O8S 916.4814 NA PeJP NA NA +MJ097671 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Benzoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H72O16 916.482036 NA MeJP NA NA +MJ097672 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Benzoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] C49H72O16 916.482036 NA MeJP NA NA +PJ079570 ATEERRR C35H64N16O13 916.4839 NA PeJP NA NA +PJ079571 PVKKEMW C43H68N10O10S 916.4841 NA PeJP NA NA +MJ097673 Psammosilenin A C51H64N8O8 916.484711 NA MeJP NA NA +PJ079572 APMMRRR C36H68N16O8S2 916.4848 NA PeJP NA NA +PJ079573 AALKKEEE C39H68N10O15 916.4866 NA PeJP NA NA +PJ079574 SPPVKKMM C40H72N10O10S2 916.4875 NA PeJP NA NA +PJ079575 GTLERRW C40H64N14O11 916.4879 NA PeJP NA NA +PJ079576 GGGKKERW C40H64N14O11 916.488 NA PeJP NA NA +PJ079577 VVKMFFF C48H68N8O8S 916.4881 NA PeJP NA NA +PJ079578 GCNRRRR C33H64N20O9S 916.4886 NA PeJP NA NA +PJ079579 SPPVLLEY C44H68N8O13 916.4906 NA PeJP NA NA +PJ079580 PTKEMRR C37H68N14O11S 916.4913 NA PeJP NA NA +PJ079581 LKERWW C45H64N12O9 916.492 NA PeJP NA NA +PJ079582 GLLLLEEM C41H72N8O13S 916.494 NA PeJP NA NA +MJ097674 Microginin 51A C49H68N6O11 916.494607 NA MeJP NA NA +PJ079583 SSQQRRR C34H64N18O12 916.4951 NA PeJP NA NA +PJ079584 GGSTQRRR C34H64N18O12 916.4952 NA PeJP NA NA +PJ079585 SPLKMRW C42H68N12O9S 916.4953 NA PeJP NA NA +PJ079586 VLKWWW C50H64N10O7 916.496 NA PeJP NA NA +PJ079587 VKKEEER C38H68N12O14 916.4978 NA PeJP NA NA +PJ079588 GGAAKKKEE C38H68N12O14 916.4979 NA PeJP NA NA +PJ079589 AAPLKMMR C39H72N12O9S2 916.4987 NA PeJP NA NA +PJ079590 GSQKRRW C39H64N16O10 916.4992 NA PeJP NA NA +PJ079591 TLLQKEW C43H68N10O12 916.5018 NA PeJP NA NA +PJ079592 VVKKEEW C43H68N10O12 916.5019 NA PeJP NA NA +PJ079593 PTTMRRR C36H68N16O10S 916.5025 NA PeJP NA NA +PJ079594 GLEMRRR C36H68N16O10S 916.5026 NA PeJP NA NA +MJ097675 12-Oleanene-3,15,16,21,22,28-hexol, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?4)-?-L-arabinopyranoside] C46H76O18 916.503165 NA MeJP NA NA +MJ097676 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3,6-Di-O-?-D-xylopyranoside, 25-O-?-D-glucopyranoside C46H76O18 916.503165 NA MeJP NA NA +MJ097677 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside], 6-O-?-D-xylopyranoside C46H76O18 916.503165 NA MeJP NA NA +MJ097678 3,20,25,30-Tetrahydroxydammar-23-en-16-one, 3-O-?-L-Arabinopyranoside, 30-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C46H76O18 916.503165 NA MeJP NA NA +MJ097679 Furost-25(27)-ene-1,3,22,26-tetrol, 22-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?2)-?-D-fucopyranoside], 26-O-?-D-glucopyranoside C46H76O18 916.503165 NA MeJP NA NA +MJ097680 Furost-5-ene-3,22,26-triol, 22-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C46H76O18 916.503165 NA MeJP NA NA +MJ097681 Furost-5-ene-3,22,26-triol, 22-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C46H76O18 916.503165 NA MeJP NA NA +PJ079595 TLRRWW C44H64N14O8 916.5032 NA PeJP NA NA +PJ079596 APTLKKEM C40H72N10O12S 916.5052 NA PeJP NA NA +MJ097682 Silenin A C48H68N8O10 916.50584 NA MeJP NA NA +PJ079597 PLLLEFW C48H68N8O10 916.5059 NA PeJP NA NA +PJ079598 GVLMRRW C41H68N14O8S 916.5066 NA PeJP NA NA +HMDB09924 PIP(16:0/18:1(11Z)) C43H82O16P2 916.507812 NA HMDB2010 NA NA +HMDB09925 PIP(16:0/18:1(9Z)) C43H82O16P2 916.507812 NA HMDB2010 NA NA +HMDB09947 PIP(18:0/16:1(9Z)) C43H82O16P2 916.507812 NA HMDB2010 NA NA +HMDB09958 PIP(18:1(11Z)/16:0) C43H82O16P2 916.507812 NA HMDB2010 NA NA +HMDB09970 PIP(18:1(9Z)/16:0) C43H82O16P2 916.507812 NA HMDB2010 NA NA +PJ079599 SLKEERR C37H68N14O13 916.5091 NA PeJP NA NA +PJ079600 LLLLEMW C45H72N8O10S 916.5093 NA PeJP NA NA +PJ079601 PVKMMRR C38H72N14O8S2 916.5099 NA PeJP NA NA +PJ079602 SPKHHRR C38H64N18O9 916.5104 NA PeJP NA NA +PJ079603 STLLLLEE C41H72N8O15 916.5117 NA PeJP NA NA +PJ079604 STILLLEE C41H72N8O15 916.5118 NA PeJP NA NA +PJ079605 SPLLLLMM C42H76N8O10S2 916.5126 NA PeJP NA NA +PJ079606 SVLKERW C42H68N12O11 916.5131 NA PeJP NA NA +PJ079607 GNKMRRR C35H68N18O9S 916.5138 NA PeJP NA NA +PJ079608 PFRRRW C43H64N16O7 916.5144 NA PeJP NA NA +PJ079609 LLQKEMR C39H72N12O11S 916.5165 NA PeJP NA NA +PJ079610 ATLLKWW C47H68N10O9 916.5171 NA PeJP NA NA +PJ079611 LMRRRW C40H68N16O7S 916.5178 NA PeJP NA NA +PJ079612 STLERRR C36H68N16O12 916.5203 NA PeJP NA NA +PJ079613 VLLQKMW C44H72N10O9S 916.5205 NA PeJP NA NA +PJ079614 GVHHRRR C37H64N20O8 916.5217 NA PeJP NA NA +PJ079615 GTLLKKEE C40H72N10O14 916.523 NA PeJP NA NA +PJ079616 GPLLKKMM C41H76N10O9S2 916.5239 NA PeJP NA NA +PJ079617 SSLLRRW C41H68N14O10 916.5243 NA PeJP NA NA +PJ079618 GPLLLLEY C45H72N8O12 916.527 NA PeJP NA NA +PJ079619 VVKEMRR C38H72N14O10S 916.5277 NA PeJP NA NA +PJ079620 AAKKKWW C46H68N12O8 916.5283 NA PeJP NA NA +PJ079621 APLKFRW C46H68N12O8 916.5284 NA PeJP NA NA +PJ079622 SVLLLLEM C42H76N8O12S 916.5304 NA PeJP NA NA +PJ079623 SSQKRRR C35H68N18O11 916.5315 NA PeJP NA NA +PJ079624 ALLKMRW C43H72N12O8S 916.5317 NA PeJP NA NA +PJ079625 HHRRRR C36H64N22O7 916.5329 NA PeJP NA NA +PJ079626 GTTLLKER C39H72N12O13 916.5342 NA PeJP NA NA +PJ079627 GSKKRRW C40H68N16O9 916.5356 NA PeJP NA NA +PJ079628 TLLKKEW C44H72N10O11 916.5382 NA PeJP NA NA +PJ079629 GGGPLLLKY C44H72N10O11 916.5383 NA PeJP NA NA +PJ079630 SVLMRRR C37H72N16O9S 916.5389 NA PeJP NA NA +MJ097683 3,16,22-Hopanetriol, 3-O-?-L-Arabinopyranoside, 22-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] C47H80O17 916.539551 NA MeJP NA NA +MJ097684 Antibiotic K 41; 15-Demethoxy C47H80O17 916.539551 NA MeJP NA NA +MJ097685 Antibiotic X 14868A C47H80O17 916.539551 NA MeJP NA NA +MJ097686 Dammar-24-ene-3,12,20-triol, 3-O-?-D-Glucopyranoside, 20-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C47H80O17 916.539551 NA MeJP NA NA +MJ097687 Dammar-24-ene-3,12,20-triol, 3-O-?-D-Glucopyranoside, 20-O-[?-L-arabinopyranosyl-(1?2)-?-D-glucopyranoside] C47H80O17 916.539551 NA MeJP NA NA +MJ097688 Dammar-24-ene-3,12,20-triol, 3-O-?-D-Glucopyranoside, 20-O-[?-arabinofuranosyl-(1?6)-?-glucopyranoside] C47H80O17 916.539551 NA MeJP NA NA +MJ097689 Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-xylopyranoside C47H80O17 916.539551 NA MeJP NA NA +MJ097690 Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-L-arabinopyranoside C47H80O17 916.539551 NA MeJP NA NA +MJ097691 Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C47H80O17 916.539551 NA MeJP NA NA +C17539 Chikusetsusaponin III C47H80O17 916.5396 NA KEGG NA NA +PJ079631 GVLLKKEM C41H76N10O11S 916.5416 NA PeJP NA NA +PJ079632 PLLLLYW C49H72N8O9 916.5423 NA PeJP NA NA +PJ079633 TQKKKER C38H72N14O12 916.5454 NA PeJP NA NA +PJ079634 GTTTLLRR C38H72N14O12 916.5455 NA PeJP NA NA +PJ079635 APLLLLMF C46H76N8O9S 916.5456 NA PeJP NA NA +PJ079636 PPVHRRR C39H68N18O8 916.5468 NA PeJP NA NA +PJ079637 ALLLLLMM C43H80N8O9S2 916.549 NA PeJP NA NA +PJ079638 TTLLKRW C43H72N12O10 916.5495 NA PeJP NA NA +PJ079639 ACKKRRR C36H72N18O8S 916.5502 NA PeJP NA NA +PJ079640 LLKKEMR C40H76N12O10S 916.5529 NA PeJP NA NA +PJ079641 PVLKKFW C48H72N10O8 916.5535 NA PeJP NA NA +PJ079642 SDKKKRR C37H72N16O11 916.5567 NA PeJP NA NA +PJ079643 VLLKKMW C45H76N10O8S 916.5569 NA PeJP NA NA +PJ079644 SSLLLKKE C41H76N10O13 916.5594 NA PeJP NA NA +PJ079645 ATKKKRW C42H72N14O9 916.5607 NA PeJP NA NA +PJ079646 SPVLLLLY C46H76N8O11 916.5634 NA PeJP NA NA +PJ079647 TLLKMRR C39H76N14O9S 916.5641 NA PeJP NA NA +PJ079648 TTLLLLLM C43H80N8O11S 916.5668 NA PeJP NA NA +PJ079649 SSKKRRR C36H72N18O10 916.5679 NA PeJP NA NA +PJ079650 SSTLLLKR C40H76N12O12 916.5706 NA PeJP NA NA +PJ079651 AVLFRRR C41H72N16O8 916.5719 NA PeJP NA NA +PJ079652 GLLFRRR C41H72N16O8 916.572 NA PeJP NA NA +PJ079653 GPVLLKKY C45H76N10O10 916.5746 NA PeJP NA NA +PJ079654 AKKKMRR C38H76N16O8S 916.5753 NA PeJP NA NA +PJ079655 ATLLLKKM C42H80N10O10S 916.578 NA PeJP NA NA +PJ079656 LLLLLFW C50H76N8O8 916.5787 NA PeJP NA NA +PJ079657 TKKKKER C39H76N14O11 916.5818 NA PeJP NA NA +PJ079658 GGGSKKKKK C39H76N14O11 916.5819 NA PeJP NA NA +PJ079659 SLKKKKW C44H76N12O9 916.5859 NA PeJP NA NA +PJ079660 AALKKKKM C41H80N12O9S 916.5892 NA PeJP NA NA +PJ079661 TTKKKRR C38H76N16O10 916.5931 NA PeJP NA NA +PJ079662 TTTLLLKK C42H80N10O12 916.5958 NA PeJP NA NA +PJ079663 VVLKFRR C43H76N14O8 916.5971 NA PeJP NA NA +PJ079664 GLLLLLLY C47H80N8O10 916.5998 NA PeJP NA NA +PJ079665 VKKKKMR C40H80N14O8S 916.6005 NA PeJP NA NA +PJ079666 ATTLKKKK C41H80N12O11 916.607 NA PeJP NA NA +PJ079667 GVLLLKKF C46H80N10O9 916.611 NA PeJP NA NA +MJ097692 1,2-Di-O-acylglycerols; Glycerol 2-(9Z,12Z-octadecadienoate) 1-hexadecanoate, 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] C49H88O15 916.612322 NA MeJP NA NA +PJ079668 LLLKKFR C45H80N12O8 916.6222 NA PeJP NA NA +MJ097693 Glucolipsins; Glucolipsin A C50H92O14 916.648707 NA MeJP NA NA +MJ097694 3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,34-hexatriacontatetraene-1,15,19,23,27,31-hexol; 10,11-Dihydro, 10,11-dihydroxy, 1-O-?-glucopyranoside C51H96O13 916.685093 NA MeJP NA NA +HMDB05372 TG(16:0/20:0/20:1(11Z))[iso6] C59H112O6 916.845886 NA HMDB2010 NA NA +HMDB05396 TG(18:0/18:0/20:1(11Z))[iso3] C59H112O6 916.845886 NA HMDB2010 NA NA +HMDB05402 TG(18:0/18:1(9Z)/20:0)[iso6] C59H112O6 916.845886 NA HMDB2010 NA NA +HMDB05427 TG(16:1(9Z)/20:0/20:0)[iso3] C59H112O6 916.845886 NA HMDB2010 NA NA +HMDB05372 TG(16:0/20:0/20:1(11Z))[iso6] C59H112O6 916.84589 http://www.hmdb.ca/metabolites/HMDB05372 HMDB NA NA +HMDB05396 TG(18:0/18:0/20:1(11Z))[iso3] C59H112O6 916.84589 http://www.hmdb.ca/metabolites/HMDB05396 HMDB NA NA +HMDB05402 TG(18:0/18:1(9Z)/20:0)[iso6] C59H112O6 916.84589 http://www.hmdb.ca/metabolites/HMDB05402 HMDB NA NA +HMDB05427 TG(16:1(9Z)/20:0/20:0)[iso3] C59H112O6 916.84589 http://www.hmdb.ca/metabolites/HMDB05427 HMDB NA NA +HMDB05372 TG(16:0/20:0/20:1(11Z))[iso6] C59H112O6 916.84589 HMDB05372 PFEM_hmdb_metabocards_official NA NA +HMDB05396 TG(18:0/18:0/20:1(11Z))[iso3] C59H112O6 916.84589 HMDB05396 PFEM_hmdb_metabocards_official NA NA +HMDB05402 TG(18:0/18:1(9Z)/20:0)[iso6] C59H112O6 916.84589 HMDB05402 PFEM_hmdb_metabocards_official NA NA +HMDB05427 TG(16:1(9Z)/20:0/20:0)[iso3] C59H112O6 916.84589 HMDB05427 PFEM_hmdb_metabocards_official NA NA +MJ097695 12-Ursen-3-ol, Tetratriacontanoyl C64H116O2 916.897532 NA MeJP NA NA +3239 bombolitin I from venom of bumble bee (Megabombus IKITTMLAKLGKVLAHV~ 917.0707 MH2+ Inhouse_peptide NA peptide +C12324 3,5-Dihydroxyphenylacetyl-CoA C29H42N7O19P3S 917.1469 NA KEGG NA NA +PJ079669 GSCCCCCCH C29H47N11O11S6 917.1781 NA PeJP NA NA +PJ079670 GPCCCCCDD C30H47N9O14S5 917.1847 NA PeJP NA NA +PJ079671 CCCNDDDM C30H47N9O16S4 917.2024 NA PeJP NA NA +PJ079672 SPPCCCCCC C31H51N9O11S6 917.2033 NA PeJP NA NA +PJ079673 GSCCCCNND C29H47N11O15S4 917.2136 NA PeJP NA NA +PJ079674 GGGGGSCCCCD C29H47N11O15S4 917.2137 NA PeJP NA NA +PJ079675 GCCCCDEW C34H47N9O13S4 917.2177 NA PeJP NA NA +HMDB01168 2,4-Decadienoyl-CoA C31H50N7O17P3S 917.219666 NA HMDB2010 NA NA +HMDB06530 trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA C31H50N7O17P3S 917.219666 NA HMDB2010 NA NA +HMDB06540 cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA C31H50N7O17P3S 917.219666 NA HMDB2010 NA NA +HMDB01168 2,4-Decadienoyl-CoA C31H50N7O17P3S 917.21967 http://www.hmdb.ca/metabolites/HMDB01168 HMDB NA NA +HMDB06530 trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA C31H50N7O17P3S 917.21967 http://www.hmdb.ca/metabolites/HMDB06530 HMDB NA NA +HMDB06540 cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA C31H50N7O17P3S 917.21967 http://www.hmdb.ca/metabolites/HMDB06540 HMDB NA NA +HMDB01168 2,4-Decadienoyl-CoA C31H50N7O17P3S 917.21967 HMDB01168 PFEM_hmdb_metabocards_official NA NA +HMDB06530 trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA C31H50N7O17P3S 917.21967 HMDB06530 PFEM_hmdb_metabocards_official NA NA +HMDB06540 cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA C31H50N7O17P3S 917.21967 HMDB06540 PFEM_hmdb_metabocards_official NA NA +MetaCyc04309 geranoyl-coA [] C31H50N7O17P3S1 917.219673 NA metacyc NA NA +MetaCyc04310 trans-Δ2, cis-Δ4-decadienoyl-CoA [] C31H50N7O17P3S1 917.219673 NA metacyc NA NA +C01920 Geranoyl-CoA C31H50N7O17P3S 917.2197 NA KEGG NA NA +C11945 trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA C31H50N7O17P3S 917.2197 NA KEGG NA NA +C11946 cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA C31H50N7O17P3S 917.2197 NA KEGG NA NA +C16465 trans-Geranyl-CoA C31H50N7O17P3S 917.2197 NA KEGG NA NA +PJ079676 GSSCCCDDE C30H47N9O18S3 917.2202 NA PeJP NA NA +PJ079677 GSPCCCCDM C31H51N9O13S5 917.221 NA PeJP NA NA +PJ079678 CCCCNNQM C30H51N11O12S5 917.2323 NA PeJP NA NA +PJ079679 CCCCDWW C38H47N9O10S4 917.2329 NA PeJP NA NA +PJ079680 SSCCCDDW C34H47N9O15S3 917.2354 NA PeJP NA NA +PJ079681 PTCCCCCW C35H51N9O10S5 917.2363 NA PeJP NA NA +PJ079682 SSSSCCDDD C30H47N9O20S2 917.2379 NA PeJP NA NA +PJ079683 SCCNDDMM C31H51N9O15S4 917.2388 NA PeJP NA NA +PJ079684 PCCCCQMM C32H55N9O10S6 917.2397 NA PeJP NA NA +PJ079685 CCCCCNNR C29H51N13O11S5 917.2435 NA PeJP NA NA +PJ079686 SCCCCDER C30H51N11O14S4 917.25 NA PeJP NA NA +PJ079687 PCCCCCMR C31H55N11O9S6 917.2509 NA PeJP NA NA +PJ079688 GCCNDDEY C34H47N9O17S2 917.2532 NA PeJP NA NA +PJ079689 GSCCCEMW C35H51N9O12S4 917.254 NA PeJP NA NA +PJ079690 GAPCCCCDF C35H51N9O12S4 917.2541 NA PeJP NA NA +PJ079691 GSSSCCDEM C31H51N9O17S3 917.2565 NA PeJP NA NA +PJ079692 GCCNEMMM C32H55N9O12S5 917.2574 NA PeJP NA NA +PJ079693 SCCCNDHH C32H47N13O13S3 917.2579 NA PeJP NA NA +PJ079694 PCCNDDDH C33H47N11O16S2 917.2644 NA PeJP NA NA +PJ079695 SSSSCCCNQ C30H51N11O16S3 917.2678 NA PeJP NA NA +PJ079696 CCNDDYW C38H47N9O14S2 917.2684 NA PeJP NA NA +PJ079697 CCCCNNKM C31H55N11O11S5 917.2686 NA PeJP NA NA +PJ079698 GCCCDMMR C31H55N11O11S5 917.2687 NA PeJP NA NA +PJ079699 SCCCMWW C39H51N9O9S4 917.2693 NA PeJP NA NA +PJ079700 SSCNDDDY C34H47N9O19S 917.2709 NA PeJP NA NA +C16293 Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside C43H49O22 917.2715 NA KEGG NA NA +FL7AAAGL0074 Pelargonidin 3-(4'''-feruloylrutinoside)-5-glucoside C43H49O22 917.27154 202335-30-6 knapsack NA NA +FL7AADGL0025 Peonanin;Peonidin 3-O-[6-O-(4-O-(E)-p-coumaroyl-O-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside C43H49O22 917.27154 151901-91-6 knapsack NA NA +PJ079701 SSSCCDMW C35H51N9O14S3 917.2718 NA PeJP NA NA +PJ079702 CCNMMMW C36H55N9O9S5 917.2727 NA PeJP NA NA +PJ079703 SSSSSCDDM C31H51N9O19S2 917.2743 NA PeJP NA NA +PJ079704 SSCNDMMM C32H55N9O14S4 917.2752 NA PeJP NA NA +PJ079705 TCCCYYY C40H51N7O12S3 917.2758 NA PeJP NA NA +PJ079706 PCCCCKMM C33H59N9O9S6 917.276 NA PeJP NA NA +PJ079707 GCCCQMHH C33H51N13O10S4 917.2765 NA PeJP NA NA +PJ079708 DDDEMMY C36H51N7O17S2 917.2783 NA PeJP NA NA +PJ079709 GNDDDDMH C33H47N11O18S 917.2822 NA PeJP NA NA +PJ079710 DEMMMMM C34H59N7O12S5 917.2826 NA PeJP NA NA +PJ079711 GCCNNNMY C34H51N11O13S3 917.283 NA PeJP NA NA +PJ079712 GGGGGGGCCMY C34H51N11O13S3 917.2831 NA PeJP NA NA +PJ079713 GSSSSSSCCN C30H51N11O18S2 917.2855 NA PeJP NA NA +PJ079714 SSCCCEMR C31H55N11O13S4 917.2864 NA PeJP NA NA +PJ079715 GSPCCCYW C39H51N9O11S3 917.2871 NA PeJP NA NA +PJ079716 GCCCCHHR C32H51N15O9S4 917.2878 NA PeJP NA NA +PJ079717 GSCNDEMY C35H51N9O16S2 917.2896 NA PeJP NA NA +PJ079718 GSTCCMMW C36H55N9O11S4 917.2904 NA PeJP NA NA +PJ079719 DDDDEFY C39H47N7O19 917.2927 NA PeJP NA NA +PJ079720 GSSSSCEMM C32H55N9O16S3 917.2929 NA PeJP NA NA +PJ079721 SCNNNDDH C32H47N13O17S 917.2934 NA PeJP NA NA +PJ079722 GSCQMMMM C33H59N9O11S5 917.2938 NA PeJP NA NA +PJ079723 SSCCNMHH C33H51N13O12S3 917.2943 NA PeJP NA NA +MJ097696 Canthium schimperianum Glycoside C43H51NO21 917.295357 NA MeJP NA NA +PJ079724 DDEMMMF C37H55N7O14S3 917.297 NA PeJP NA NA +PJ079725 CNDDEHW C37H47N11O15S 917.2974 NA PeJP NA NA +PJ079726 SSNDDDEH C33H47N11O20 917.2999 NA PeJP NA NA +PJ079727 GGGGGGPDDDD C33H47N11O20 917.3 NA PeJP NA NA +PJ079728 GSCCDDRY C34H51N11O15S2 917.3008 NA PeJP NA NA +PJ079729 APCCCCRY C35H55N11O10S4 917.3017 NA PeJP NA NA +PJ079730 ACCCFWW C43H51N9O8S3 917.3023 NA PeJP NA NA +PJ079731 NNDDDYY C38H47N9O18 917.3039 NA PeJP NA NA +PJ079732 GGGGDDDYY C38H47N9O18 917.304 NA PeJP NA NA +PJ079733 SSSSCCCNK C31H55N11O15S3 917.3042 NA PeJP NA NA +PJ079734 SCNDMYW C39H51N9O13S2 917.3048 NA PeJP NA NA +PJ079735 GSCCMMMR C32H59N11O10S5 917.305 NA PeJP NA NA +PJ079736 CCMMHFF C40H55N9O8S4 917.3057 NA PeJP NA NA +PJ079737 SSSNDDMY C35H51N9O18S 917.3073 NA PeJP NA NA +PJ079738 SSSSCMMW C36H55N9O13S3 917.3082 NA PeJP NA NA +PJ079739 GCCFYYY C44H51N7O11S2 917.3088 NA PeJP NA NA +PJ079740 SSSSSSDMM C32H55N9O18S2 917.3107 NA PeJP NA NA +PJ079741 PDDDMYY C40H51N7O16S 917.3113 NA PeJP NA NA +PJ079742 SSSNMMMM C33H59N9O13S4 917.3115 NA PeJP NA NA +PJ079743 GGSSSMMMM C33H59N9O13S4 917.3116 NA PeJP NA NA +PJ079744 GSSSTCCHH C33H51N13O14S2 917.312 NA PeJP NA NA +PJ079745 GGGGGGGCEMH C33H51N13O14S2 917.3121 NA PeJP NA NA +PJ079746 GCDDHWW C41H47N11O12S 917.3127 NA PeJP NA NA +PJ079747 PPCCCCHR C34H55N13O9S4 917.3129 NA PeJP NA NA +PJ079748 SEEEMMY C37H55N7O16S2 917.3147 NA PeJP NA NA +PJ079749 GSSDDDHW C37H47N11O17 917.3152 NA PeJP NA NA +PJ079750 PDMMMMY C38H59N7O11S4 917.3156 NA PeJP NA NA +PJ079751 ASPCCDHW C38H51N11O12S2 917.316 NA PeJP NA NA +PJ079752 GSPCCEHW C38H51N11O12S2 917.3161 NA PeJP NA NA +PJ079753 GSSSSCNNY C34H51N11O17S 917.3185 NA PeJP NA NA +PJ079754 GGGGGSSSSCY C34H51N11O17S 917.3186 NA PeJP NA NA +PJ079755 CCNEMRY C35H55N11O12S3 917.3194 NA PeJP NA NA +PJ079756 GTCCYWW C43H51N9O10S2 917.3201 NA PeJP NA NA +PJ079757 GSSSCEYW C39H51N9O15S 917.3226 NA PeJP NA NA +PJ079758 SSTCCMMR C32H59N11O12S4 917.3228 NA PeJP NA NA +PJ079759 GCCNNDHR C32H51N15O13S2 917.3233 NA PeJP NA NA +PJ079760 GCQMMYW C40H55N9O10S3 917.3234 NA PeJP NA NA +PJ079761 GGGPCCMFF C40H55N9O10S3 917.3235 NA PeJP NA NA +PJ079762 GSSSSSDEY C35H51N9O20 917.3251 NA PeJP NA NA +PJ079763 GSSNEMMY C36H55N9O15S2 917.3259 NA PeJP NA NA +PJ079764 GSPPPCDDM C36H55N9O15S2 917.326 NA PeJP NA NA +PJ079765 DDEEHHH C36H47N13O16 917.3264 NA PeJP NA NA +PJ079766 GSCYYYY C44H51N7O13S 917.3266 NA PeJP NA NA +PJ079767 APCCCKMY C37H59N9O10S4 917.3268 NA PeJP NA NA +PJ079768 CNNNMHW C37H51N13O11S2 917.3273 NA PeJP NA NA +PJ079769 GEEEEYY C40H51N7O18 917.3291 NA PeJP NA NA +PJ079770 GSSSSTMMM C33H59N9O15S3 917.3293 NA PeJP NA NA +PJ079771 GSCDDEHR C33H51N13O16S 917.3298 NA PeJP NA NA +PJ079772 PDDMMFY C41H55N7O13S2 917.33 NA PeJP NA NA +PJ079773 GSCKMMMM C34H63N9O10S5 917.3302 NA PeJP NA NA +PJ079774 CCCDRRY C34H55N13O11S3 917.3306 NA PeJP NA NA +PJ079775 GPCCDMHR C34H55N13O11S3 917.3307 NA PeJP NA NA +PJ079776 SPCCHWW C42H51N11O9S2 917.3313 NA PeJP NA NA +PJ079777 VDEMMMY C38H59N7O13S3 917.3333 NA PeJP NA NA +PJ079778 SNDEMHW C38H51N11O14S 917.3338 NA PeJP NA NA +PJ079779 PMMMMMF C39H63N7O8S5 917.3342 NA PeJP NA NA +PJ079780 GCCMRYW C39H55N11O9S3 917.3347 NA PeJP NA NA +PJ079781 GPDDDDER C34H51N11O19 917.3363 NA PeJP NA NA +PJ079782 GSSCDMRY C35H55N11O14S2 917.3372 NA PeJP NA NA +PJ079783 LMMMMMM C36H67N7O8S6 917.3376 NA PeJP NA NA +PJ079784 GSNDDHHH C35H47N15O15 917.3377 NA PeJP NA NA +PJ079785 SSSCYWW C43H51N9O12S 917.3378 NA PeJP NA NA +PJ079786 CCQMMFR C36H59N11O9S4 917.338 NA PeJP NA NA +PJ079787 GACCMMFR C36H59N11O9S4 917.3381 NA PeJP NA NA +PJ079788 GPCCQHHH C36H51N15O10S2 917.3385 NA PeJP NA NA +PJ079789 SSSSSDYW C39H51N9O17 917.3403 NA PeJP NA NA +PJ079790 SSNMMYW C40H55N9O12S2 917.3412 NA PeJP NA NA +PJ079791 CCCCCKKK C33H63N11O9S5 917.3414 NA PeJP NA NA +PJ079792 SSSSQEMY C36H55N9O17S 917.3437 NA PeJP NA NA +PJ079793 EEEYYW C44H51N7O15 917.3443 NA PeJP NA NA +PJ079794 PDDDFFY C44H51N7O15 917.3444 NA PeJP NA NA +PJ079795 SQQMMMY C37H59N9O12S3 917.3446 NA PeJP NA NA +PJ079796 SCDDHRW C37H51N13O13S 917.345 NA PeJP NA NA +PJ079797 GGGGGSTCHW C37H51N13O13S 917.3451 NA PeJP NA NA +PJ079798 STTTTTTCC C33H59N9O17S2 917.347 NA PeJP NA NA +PJ079799 SSSSSTTMM C33H59N9O17S2 917.3471 NA PeJP NA NA +PJ079800 SSSDDDHR C33H51N13O18 917.3475 NA PeJP NA NA +PJ079801 GGGGGSSSSEH C33H51N13O18 917.3476 NA PeJP NA NA +PJ079802 SPEEMYY C41H55N7O15S 917.3477 NA PeJP NA NA +PJ079803 SSTCKMMM C34H63N9O12S4 917.3479 NA PeJP NA NA +PJ079804 NDDMMHR C34H55N13O13S2 917.3484 NA PeJP NA NA +PJ079805 PDMMMFF C42H59N7O10S3 917.3486 NA PeJP NA NA +PJ079806 GSDMHWW C42H51N11O11S 917.3491 NA PeJP NA NA +PJ079807 CCCMFRR C35H59N13O8S4 917.3493 NA PeJP NA NA +PJ079808 GSSNNNYY C38H51N11O16 917.3515 NA PeJP NA NA +PJ079809 PDDDDRW C38H51N11O16 917.3516 NA PeJP NA NA +PJ079810 VEMMMMF C39H63N7O10S4 917.352 NA PeJP NA NA +PJ079811 STCCRYW C39H55N11O11S2 917.3524 NA PeJP NA NA +PJ079812 GGGGGPPCMW C39H55N11O11S2 917.3525 NA PeJP NA NA +PJ079813 CNFYWW C47H51N9O9S 917.3531 NA PeJP NA NA +PJ079814 SSSSCERY C35H55N11O16S 917.3549 NA PeJP NA NA +PJ079815 GGGGGPQEEM C35H55N11O16S 917.355 NA PeJP NA NA +PJ079816 GPDEEWW C43H51N9O14 917.3556 NA PeJP NA NA +PJ079817 SCQMMRY C36H59N11O11S3 917.3558 NA PeJP NA NA +PJ079818 NNEMHHH C36H51N15O12S 917.3563 NA PeJP NA NA +PJ079819 ACNMFFW C44H55N9O9S2 917.3564 NA PeJP NA NA +PJ079820 GCQMFFW C44H55N9O9S2 917.3565 NA PeJP NA NA +PJ079821 GNNNNDDR C32H51N15O17 917.3588 NA PeJP NA NA +PJ079822 GSSSTMYW C40H55N9O14S 917.3589 NA PeJP NA NA +PJ079823 GSPPDEMW C40H55N9O14S 917.359 NA PeJP NA NA +PJ079824 GSCNNMHR C33H55N15O12S2 917.3596 NA PeJP NA NA +PJ079825 CCDEHRR C33H55N15O12S2 917.3597 NA PeJP NA NA +PJ079826 GCKMMYW C41H59N9O9S3 917.3598 NA PeJP NA NA +PJ079827 CNNHHFF C41H51N13O10S 917.3603 NA PeJP NA NA +PJ079828 GSSSSTTEY C36H55N9O19 917.3614 NA PeJP NA NA +PJ079829 GPTQEEEE C36H55N9O19 917.3615 NA PeJP NA NA +PJ079830 GSSDKMMY C37H59N9O14S2 917.3623 NA PeJP NA NA +PJ079831 SSSSNNHW C37H51N13O15 917.3628 NA PeJP NA NA +PJ079832 PPCEFYY C45H55N7O12S 917.363 NA PeJP NA NA +PJ079833 CQKMMMF C38H63N9O9S4 917.3632 NA PeJP NA NA +PJ079834 GCEMHRW C38H55N13O10S2 917.3637 NA PeJP NA NA +PJ079835 TCHWWW C46H51N11O8S 917.3643 NA PeJP NA NA +PJ079836 SVEEEYY C41H55N7O17 917.3655 NA PeJP NA NA +PJ079837 GSSDEMHR C34H55N13O15S 917.3662 NA PeJP NA NA +PJ079838 PVDMMYY C42H59N7O12S2 917.3663 NA PeJP NA NA +PJ079839 VDEMMFF C42H59N7O12S2 917.3664 NA PeJP NA NA +PJ079840 SSSEHWW C42H51N11O13 917.3668 NA PeJP NA NA +PJ079841 SCCMRRY C35H59N13O10S3 917.367 NA PeJP NA NA +PJ079842 CNDHHHR C35H51N17O11S 917.3675 NA PeJP NA NA +PJ079843 QMMHWW C43H55N11O8S2 917.3677 NA PeJP NA NA +PJ079844 TLEMMMY C39H63N7O12S3 917.3697 NA PeJP NA NA +PJ079845 STQEMHW C39H55N11O13S 917.3702 NA PeJP NA NA +PJ079846 PDEWWW C47H51N9O11 917.3708 NA PeJP NA NA +PJ079847 CLMMHHF C40H59N11O8S3 917.3711 NA PeJP NA NA +PJ079848 GNMHHHW C40H51N15O9S 917.3715 NA PeJP NA NA +PJ079849 GSPDEEER C35H55N11O18 917.3727 NA PeJP NA NA +PJ079850 GSSSMMRY C36H59N11O13S2 917.3736 NA PeJP NA NA +PJ079851 GSSQEHHH C36H51N15O14 917.374 NA PeJP NA NA +PJ079852 GGGGGPNEHH C36H51N15O14 917.3741 NA PeJP NA NA +PJ079853 SPPDMWW C44H55N9O11S 917.3742 NA PeJP NA NA +PJ079854 CCKMMFR C37H63N11O8S4 917.3744 NA PeJP NA NA +PJ079855 GPCCKHHH C37H55N15O9S2 917.3749 NA PeJP NA NA +PJ079856 SSSSTTYW C40H55N9O16 917.3767 NA PeJP NA NA +PJ079857 SSSCNQHR C33H55N15O14S 917.3774 NA PeJP NA NA +PJ079858 STCKMYW C41H59N9O11S2 917.3776 NA PeJP NA NA +PJ079859 GNNNQWW C41H51N13O12 917.378 NA PeJP NA NA +PJ079860 GGGNNQWW C41H51N13O12 917.3781 NA PeJP NA NA +PJ079861 CMHRWW C42H55N13O7S2 917.3789 NA PeJP NA NA +PJ079862 SSSSKEMY C37H59N9O16S 917.3801 NA PeJP NA NA +PJ079863 SPPEYYY C45H55N7O14 917.3807 NA PeJP NA NA +PJ079864 SQKMMMY C38H63N9O11S3 917.3809 NA PeJP NA NA +PJ079865 GGTKMMMY C38H63N9O11S3 917.381 NA PeJP NA NA +PJ079866 SSDMHRW C38H55N13O12S 917.3814 NA PeJP NA NA +PJ079867 GGGGGGAAMHF C38H55N13O12S 917.3815 NA PeJP NA NA +PJ079868 NEHFWW C46H51N11O10 917.3821 NA PeJP NA NA +PJ079869 SSSSEEHR C34H55N13O17 917.3839 NA PeJP NA NA +PJ079870 GGGGGAEEER C34H55N13O17 917.384 NA PeJP NA NA +PJ079871 ALEEMYY C42H59N7O14S 917.3841 NA PeJP NA NA +PJ079872 SQEMMHR C35H59N13O12S2 917.3848 NA PeJP NA NA +PJ079873 PVMMMFY C43H63N7O9S3 917.385 NA PeJP NA NA +PJ079874 GTTMHWW C43H55N11O10S 917.3854 NA PeJP NA NA +PJ079875 GGGPQMWW C43H55N11O10S 917.3855 NA PeJP NA NA +PJ079876 SPDEERW C39H55N11O15 917.3879 NA PeJP NA NA +PJ079877 PTDDERW C39H55N11O15 917.388 NA PeJP NA NA +PJ079878 VLMMMMY C40H67N7O9S4 917.3883 NA PeJP NA NA +PJ079879 PPCEMRW C40H59N11O10S2 917.3888 NA PeJP NA NA +PJ079880 SSQHHHW C40H51N15O11 917.3893 NA PeJP NA NA +PJ079881 ACHFFFF C48H55N9O8S 917.3895 NA PeJP NA NA +PJ079882 SSSSTMRY C36H59N11O15S 917.3913 NA PeJP NA NA +PJ079883 APTEEWW C44H55N9O13 917.392 NA PeJP NA NA +PJ079884 SCKMMRY C37H63N11O10S3 917.3922 NA PeJP NA NA +PJ079885 CNNQHFR C37H55N15O11S 917.3926 NA PeJP NA NA +PJ079886 GGCNQHFR C37H55N15O11S 917.3927 NA PeJP NA NA +PJ079887 APPMMWW C45H59N9O8S2 917.3928 NA PeJP NA NA +PJ079888 SNNNNNNK C33H55N15O16 917.3951 NA PeJP NA NA +PJ079889 NNDDERR C33H55N15O16 917.3952 NA PeJP NA NA +PJ079890 PVQEEMW C41H59N9O13S 917.3953 NA PeJP NA NA +PJ079891 GGPLEEMW C41H59N9O13S 917.3954 NA PeJP NA NA +PJ079892 SCEMHRR C34H59N15O11S2 917.396 NA PeJP NA NA +PJ079893 GPCNRWW C42H55N13O9S 917.3967 NA PeJP NA NA +PJ079894 GHFWWW C50H51N11O7 917.3973 NA PeJP NA NA +PJ079895 SSSSSSTLY C37H59N9O18 917.3978 NA PeJP NA NA +PJ079896 GPTKEEEE C37H59N9O18 917.3979 NA PeJP NA NA +PJ079897 GSTTKMMY C38H63N9O13S2 917.3987 NA PeJP NA NA +PJ079898 GNQEERW C38H55N13O14 917.3992 NA PeJP NA NA +PJ079899 PPCLYYY C46H59N7O11S 917.3994 NA PeJP NA NA +PJ079900 CKKMMMF C39H67N9O8S4 917.3996 NA PeJP NA NA +PJ079901 ASMMHRW C39H59N13O9S2 917.4 NA PeJP NA NA +PJ079902 GTMMHRW C39H59N13O9S2 917.4001 NA PeJP NA NA +PJ079903 VDHHHHH C39H51N17O10 917.4005 NA PeJP NA NA +PJ079904 TTLEEYY C42H59N7O16 917.4019 NA PeJP NA NA +PJ079905 ASSTEMHR C35H59N13O14S 917.4025 NA PeJP NA NA +PJ079906 PDDEMRR C35H59N13O14S 917.4026 NA PeJP NA NA +PJ079907 PTLMMYY C43H63N7O11S2 917.4027 NA PeJP NA NA +PJ079908 STTTHWW C43H55N11O12 917.4032 NA PeJP NA NA +PJ079909 VNMMMHR C36H63N13O9S3 917.4034 NA PeJP NA NA +PJ079910 SNMHHHR C36H55N17O10S 917.4039 NA PeJP NA NA +PJ079911 KMMHWW C44H59N11O7S2 917.4041 NA PeJP NA NA +PJ079912 GHHHHFF C44H51N15O8 917.4046 NA PeJP NA NA +PJ079913 APEEMRW C40H59N11O12S 917.4066 NA PeJP NA NA +PJ079914 GPPEFWW C48H55N9O10 917.4072 NA PeJP NA NA +PJ079915 ACKHHHW C41H55N15O8S 917.4079 NA PeJP NA NA +PJ079916 VQEEEER C36H59N11O17 917.4091 NA PeJP NA NA +PJ079917 ASPPEMMR C37H63N11O12S2 917.4099 NA PeJP NA NA +PJ079918 GPPTEMMR C37H63N11O12S2 917.41 NA PeJP NA NA +PJ079919 GNDDRRW C37H55N15O13 917.4104 NA PeJP NA NA +PJ079920 GPLEMWW C45H59N9O10S 917.4106 NA PeJP NA NA +PJ079921 PCCHFRR C38H59N15O8S2 917.4113 NA PeJP NA NA +PJ079922 PTKEEEW C41H59N9O15 917.4131 NA PeJP NA NA +PJ079923 GSPCNERR C34H59N15O13S 917.4138 NA PeJP NA NA +PJ079924 PPKEMMW C42H63N9O10S2 917.414 NA PeJP NA NA +PJ079925 NQERWW C42H55N13O11 917.4144 NA PeJP NA NA +PJ079926 GGGAERWW C42H55N13O11 917.4145 NA PeJP NA NA +PJ079927 GMMMHRR C35H63N15O8S3 917.4147 NA PeJP NA NA +PJ079928 SSTTTKMY C38H63N9O15S 917.4165 NA PeJP NA NA +PJ079929 APLEYYY C46H59N7O13 917.4171 NA PeJP NA NA +PJ079930 SKKMMMY C39H67N9O10S3 917.4173 NA PeJP NA NA +PJ079931 GAAPPLMMM C39H67N9O10S3 917.4174 NA PeJP NA NA +PJ079932 STTMHRW C39H59N13O11S 917.4178 NA PeJP NA NA +PJ079933 PVMMFFF C47H63N7O8S2 917.418 NA PeJP NA NA +PJ079934 VNQWWW C47H55N11O9 917.4185 NA PeJP NA NA +PJ079935 AEEEERR C35H59N13O16 917.4203 NA PeJP NA NA +PJ079936 SLLEMYY C43H63N7O13S 917.4205 NA PeJP NA NA +PJ079937 SKEMMHR C36H63N13O11S2 917.4212 NA PeJP NA NA +PJ079938 VLMMMFF C44H67N7O8S3 917.4214 NA PeJP NA NA +PJ079939 ASSSHHHR C36H55N17O12 917.4216 NA PeJP NA NA +PJ079940 GSSTHHHR C36H55N17O12 917.4217 NA PeJP NA NA +PJ079941 GPNKMWW C44H59N11O9S 917.4218 NA PeJP NA NA +PJ079942 PPFWWW C52H55N9O7 917.4225 NA PeJP NA NA +PJ079943 GLEEERW C40H59N11O14 917.4243 NA PeJP NA NA +PJ079944 GGGGGSVLEW C40H59N11O14 917.4244 NA PeJP NA NA +PJ079945 NNNNMRR C33H59N17O12S 917.425 NA PeJP NA NA +PJ079946 GGGGGGGGMRR C33H59N17O12S 917.4251 NA PeJP NA NA +PJ079947 PPTMMRW C41H63N11O9S2 917.4252 NA PeJP NA NA +PJ079948 GPEHHRW C41H55N15O10 917.4257 NA PeJP NA NA +PJ079949 PLMWWW C49H59N9O7S 917.4259 NA PeJP NA NA +PJ079950 PKEEEMR C37H63N11O14S 917.4277 NA PeJP NA NA +PJ079951 GTTKYYW C45H59N9O12 917.4283 NA PeJP NA NA +PJ079952 GVLEEWW C45H59N9O12 917.4284 NA PeJP NA NA +PJ079953 GPPVMMMR C38H67N11O9S3 917.4286 NA PeJP NA NA +PJ079954 SPCNRRW C38H59N15O10S 917.429 NA PeJP NA NA +PJ079955 GGSPCRRW C38H59N15O10S 917.4291 NA PeJP NA NA +PJ079956 GQRWWW C46H55N13O8 917.4297 NA PeJP NA NA +PJ079957 SNQEERR C34H59N15O15 917.4315 NA PeJP NA NA +PJ079958 GGSQEERR C34H59N15O15 917.4316 NA PeJP NA NA +PJ079959 PVKEEMW C42H63N9O12S 917.4317 NA PeJP NA NA +PJ079960 PPTFFFY C50H59N7O10 917.4324 NA PeJP NA NA +PJ079961 AAMHFRW C43H59N13O8S 917.4331 NA PeJP NA NA +PJ079962 AALKEEEE C38H63N9O17 917.4342 NA PeJP NA NA +PJ079963 SPPVKEMM C39H67N9O12S2 917.4351 NA PeJP NA NA +PJ079964 GNKEERW C39H59N13O13 917.4356 NA PeJP NA NA +PJ079965 PVVMFYY C47H63N7O10S 917.4357 NA PeJP NA NA +PJ079966 CLLEFFF C47H63N7O10S 917.4358 NA PeJP NA NA +PJ079967 PCKMHFR C40H63N13O8S2 917.4364 NA PeJP NA NA +PJ079968 GQHHHFR C40H55N17O9 917.4369 NA PeJP NA NA +PJ079969 PTEEMRR C36H63N13O13S 917.4389 NA PeJP NA NA +PJ079970 AAAAAQEMR C36H63N13O13S 917.439 NA PeJP NA NA +PJ079971 VVLMMYY C44H67N7O10S2 917.4391 NA PeJP NA NA +PJ079972 LEERWW C44H59N11O11 917.4396 NA PeJP NA NA +PJ079973 PPMMMRR C37H67N13O8S3 917.4398 NA PeJP NA NA +PJ079974 TCKHHHR C37H59N17O9S 917.4403 NA PeJP NA NA +PJ079975 PHHRWW C45H55N15O7 917.4409 NA PeJP NA NA +PJ079976 SNDDRRR C33H59N17O14 917.4428 NA PeJP NA NA +PJ079977 VVQQQMW C41H63N11O11S 917.4429 NA PeJP NA NA +PJ079978 SPLEMRW C41H63N11O11S 917.443 NA PeJP NA NA +PJ079979 VLEWWW C49H59N9O9 917.4436 NA PeJP NA NA +PJ079980 PCCQRRR C34H63N17O9S2 917.4437 NA PeJP NA NA +2802 PEP inhibitor QPPPAPGPGT 917.444 NA Inhouse_peptide NA peptide +PJ079981 ASSTTTTLH C37H63N11O16 917.4454 NA PeJP NA NA +PJ079982 VKEEEER C37H63N11O16 917.4455 NA PeJP NA NA +PJ079983 AAPLEMMR C38H67N11O11S2 917.4463 NA PeJP NA NA +PJ079984 GGGGAPLKMM C38H67N11O11S2 917.4464 NA PeJP NA NA +PJ079985 GSQERRW C38H59N15O12 917.4468 NA PeJP NA NA +PJ079986 SPVLMWW C46H63N9O9S 917.447 NA PeJP NA NA +PJ079987 VVKEEEW C42H63N9O14 917.4495 NA PeJP NA NA +PJ079988 AQQEMRR C35H63N15O12S 917.4502 NA PeJP NA NA +PJ079989 AKKMMFY C43H67N9O9S2 917.4503 NA PeJP NA NA +PJ079990 PLLQMMW C43H67N9O9S2 917.4504 NA PeJP NA NA +PJ079991 NKERWW C43H59N13O10 917.4508 NA PeJP NA NA +PJ079992 SPTLLQEM C39H67N9O14S 917.4528 NA PeJP NA NA +PJ079993 APTLKEEM C39H67N9O14S 917.4529 NA PeJP NA NA +PJ079994 SPLLYYY C47H63N7O12 917.4535 NA PeJP NA NA +PJ079995 APPLKMMM C40H71N9O9S3 917.4537 NA PeJP NA NA +PJ079996 SPNKMRW C40H63N13O10S 917.4542 NA PeJP NA NA +PJ079997 VNKWWW C48H59N11O8 917.4548 NA PeJP NA NA +PJ079998 GGVKWWW C48H59N11O8 917.4549 NA PeJP NA NA +PJ079999 SLEEERR C36H63N13O15 917.4567 NA PeJP NA NA +PJ080000 PVEMMRR C37H67N13O10S2 917.4576 NA PeJP NA NA +PJ080001 SPEHHRR C37H59N17O11 917.458 NA PeJP NA NA +PJ080002 GGGGLQHHR C37H59N17O11 917.4581 NA PeJP NA NA +PJ080003 APCKKWW C45H63N11O8S 917.4582 NA PeJP NA NA +PJ080004 SVLEERW C41H63N11O13 917.4607 NA PeJP NA NA +PJ080005 GNEMRRR C34H63N17O11S 917.4614 NA PeJP NA NA +PJ080006 PVVMMRW C42H67N11O8S2 917.4616 NA PeJP NA NA +PJ080007 SQRRWW C42H59N15O9 917.4621 NA PeJP NA NA +PJ080008 LLQEEMR C38H67N11O13S 917.4641 NA PeJP NA NA +PJ080009 ATLLEWW C46H63N9O11 917.4647 NA PeJP NA NA +PJ080010 GGPLLEFW C46H63N9O11 917.4648 NA PeJP NA NA +PJ080011 LKKMMMH C39H71N11O8S3 917.465 NA PeJP NA NA +PJ080012 AAQMRRW C39H63N15O9S 917.4654 NA PeJP NA NA +PJ080013 GKRWWW C47H59N13O7 917.4661 NA PeJP NA NA +PJ080014 SNKEERR C35H63N15O14 917.4679 NA PeJP NA NA +PJ080015 GGGGGSDKKR C35H63N15O14 917.468 NA PeJP NA NA +PJ080016 VLLQEMW C43H67N9O11S 917.4681 NA PeJP NA NA +PJ080017 PVVFFFY C51H63N7O9 917.4688 NA PeJP NA NA +PJ080018 GQQHHRR C36H59N19O10 917.4693 NA PeJP NA NA +PJ080019 GTLLKEEE C39H67N9O16 917.4706 NA PeJP NA NA +PJ080020 GPLLKEMM C40H71N9O11S2 917.4715 NA PeJP NA NA +PJ080021 ATQKERW C40H63N13O12 917.4719 NA PeJP NA NA +PJ080022 GDKKERW C40H63N13O12 917.472 NA PeJP NA NA +PJ080023 VVLMFFY C48H67N7O9S 917.4721 NA PeJP NA NA +PJ080024 GCDRRRR C33H63N19O10S 917.4727 NA PeJP NA NA +PJ080025 GKHHHFR C41H59N17O8 917.4733 NA PeJP NA NA +PJ080026 VVEEMRR C37H67N13O12S 917.4753 NA PeJP NA NA +PJ080027 GGGGGGGLKKM C37H67N13O12S 917.4754 NA PeJP NA NA +PJ080028 AAKKEWW C45H63N11O10 917.476 NA PeJP NA NA +PJ080029 NMRRRW C38H63N17O8S 917.4767 NA PeJP NA NA +MJ097697 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(3-Pyridinecarbonyl), 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C48H71NO16 917.477285 NA MeJP NA NA +PJ080030 SSQERRR C34H63N17O13 917.4792 NA PeJP NA NA +PJ080031 ALLEMRW C42H67N11O10S 917.4793 NA PeJP NA NA +PJ080032 CLLLDRW C42H67N11O10S 917.4794 NA PeJP NA NA +PJ080033 GPLLFWW C50H63N9O8 917.48 NA PeJP NA NA +PJ080034 ASTLLEER C38H67N11O15 917.4818 NA PeJP NA NA +PJ080035 GTTLLEER C38H67N11O15 917.4819 NA PeJP NA NA +PJ080036 GPTLLMMR C39H71N11O10S2 917.4827 NA PeJP NA NA +PJ080037 GSKERRW C39H63N15O11 917.4832 NA PeJP NA NA +PJ080038 GLLLMWW C47H67N9O8S 917.4834 NA PeJP NA NA +PJ080039 TLLKEEW C43H67N9O13 917.4859 NA PeJP NA NA +PJ080040 SLQQMRR C36H67N15O11S 917.4865 NA PeJP NA NA +PJ080041 AQKEMRR C36H67N15O11S 917.4866 NA PeJP NA NA +PJ080042 PLLKMMW C44H71N9O8S2 917.4867 NA PeJP NA NA +PJ080043 DKKRWW C44H63N13O9 917.4872 NA PeJP NA NA +PJ080044 VVVVDKEM C40H71N9O13S 917.4892 NA PeJP NA NA +PJ080045 GVLLKEEM C40H71N9O13S 917.4893 NA PeJP NA NA +PJ080046 ALLLYYY C48H67N7O11 917.4899 NA PeJP NA NA +PJ080047 GLQKMRW C41H67N13O9S 917.4906 NA PeJP NA NA +PJ080048 TQKKEER C37H67N13O14 917.4931 NA PeJP NA NA +PJ080049 PQKKMMR C38H71N13O9S2 917.494 NA PeJP NA NA +PJ080050 GSTRRRW C38H63N17O10 917.4944 NA PeJP NA NA +PJ080051 TTLLERW C42H67N11O12 917.4971 NA PeJP NA NA +PJ080052 GDKMRRR C35H67N17O10S 917.4978 NA PeJP NA NA +PJ080053 SKRRWW C43H63N15O8 917.4984 NA PeJP NA NA +PJ080054 GLLHHRW C43H63N15O8 917.4985 NA PeJP NA NA +PJ080055 LLKEEMR C39H71N11O12S 917.5005 NA PeJP NA NA +PJ080056 STLLLWW C47H67N9O10 917.5011 NA PeJP NA NA +PJ080057 AAKMRRW C40H67N15O8S 917.5018 NA PeJP NA NA +PJ080058 SDKKERR C36H67N15O13 917.5043 NA PeJP NA NA +PJ080059 VLLKEMW C44H71N9O10S 917.5045 NA PeJP NA NA +PJ080060 PCKKMRR C37H71N15O8S2 917.5052 NA PeJP NA NA +PJ080061 GQKHHRR C37H63N19O9 917.5057 NA PeJP NA NA +PJ080062 SSLLLKEE C40H71N9O15 917.507 NA PeJP NA NA +PJ080063 SPVLLKMM C41H75N9O10S2 917.5079 NA PeJP NA NA +PJ080064 ATKKERW C41H67N13O11 917.5083 NA PeJP NA NA +PJ080065 GGGGTKKKW C41H67N13O11 917.5084 NA PeJP NA NA +PJ080066 GSMRRRR C34H67N19O9S 917.509 NA PeJP NA NA +PJ080067 HFFRRR C42H63N17O7 917.5097 NA PeJP NA NA +PJ080068 TLLEMRR C38H71N13O11S 917.5117 NA PeJP NA NA +PJ080069 GTLKKWW C46H67N11O9 917.5124 NA PeJP NA NA +PJ080070 TTTQRRR C35H67N17O12 917.5155 NA PeJP NA NA +PJ080071 SSKERRR C35H67N17O12 917.5156 NA PeJP NA NA +PJ080072 SLLLMRW C43H71N11O9S 917.5157 NA PeJP NA NA +PJ080073 SSTLLLER C39H71N11O14 917.5182 NA PeJP NA NA +PJ080074 AALLLMMR C40H75N11O9S2 917.5191 NA PeJP NA NA +PJ080075 ATTKRRW C40H67N15O10 917.5196 NA PeJP NA NA +PJ080076 ATTTLLLW C44H71N9O12 917.5222 NA PeJP NA NA +PJ080077 SSSLLLLW C44H71N9O12 917.5223 NA PeJP NA NA +PJ080078 SLQKMRR C37H71N15O10S 917.5229 NA PeJP NA NA +PJ080079 AKKEMRR C37H71N15O10S 917.523 NA PeJP NA NA +PJ080080 GPKKFRW C45H67N13O8 917.5236 NA PeJP NA NA +PJ080081 ATLLLKEM C41H75N9O12S 917.5256 NA PeJP NA NA +PJ080082 SSTRRRR C34H67N19O11 917.5268 NA PeJP NA NA +PJ080083 GLKKMRW C42H71N13O8S 917.527 NA PeJP NA NA +PJ080084 TKKKEER C38H71N13O13 917.5295 NA PeJP NA NA +PJ080085 VLLMMRR C39H75N13O8S2 917.5303 NA PeJP NA NA +PJ080086 GVQFRRR C39H67N17O9 917.5308 NA PeJP NA NA +PJ080087 SLKKKEW C43H71N11O11 917.5335 NA PeJP NA NA +PJ080088 ATKMRRR C36H71N17O9S 917.5342 NA PeJP NA NA +MJ097698 Angolamycin; 20-Alcohol C46H79NO17 917.5348 NA MeJP NA NA +MJ097699 Tylosin; 20-Alcohol C46H79NO17 917.5348 NA MeJP NA NA +PJ080089 ATTLLLMR C40H75N11O11S 917.5369 NA PeJP NA NA +PJ080090 PVLLKYW C48H71N9O9 917.5375 NA PeJP NA NA +PJ080091 TTKKERR C37H71N15O12 917.5407 NA PeJP NA NA +PJ080092 GPLLLKMF C45H75N9O9S 917.5409 NA PeJP NA NA +PJ080093 QFRRRR C38H67N19O8 917.542 NA PeJP NA NA +PJ080094 GAFRRRR C38H67N19O8 917.5421 NA PeJP NA NA +PJ080095 TTTLLLKE C41H75N9O14 917.5434 NA PeJP NA NA +PJ080096 GLLLLKMM C42H79N9O9S2 917.5443 NA PeJP NA NA +PJ080097 STLKKRW C42H71N13O10 917.5447 NA PeJP NA NA +PJ080098 VKKKEMR C39H75N13O10S 917.5481 NA PeJP NA NA +PJ080099 ALLLFRW C47H71N11O8 917.5487 NA PeJP NA NA +PJ080100 VVVLFRW C47H71N11O8 917.5488 NA PeJP NA NA +PJ080101 TTTKRRR C36H71N17O11 917.5519 NA PeJP NA NA +PJ080102 VVKKKMW C44H75N11O8S 917.5521 NA PeJP NA NA +PJ080103 TTTTLLLR C40H75N11O13 917.5546 NA PeJP NA NA +PJ080104 APKKRRY C41H71N15O9 917.556 NA PeJP NA NA +PJ080105 APTLLLKY C45H75N9O11 917.5586 NA PeJP NA NA +PJ080106 GGGLLLLLY C45H75N9O11 917.5587 NA PeJP NA NA +PJ080107 SLKKMRR C38H75N15O9S 917.5593 NA PeJP NA NA +PJ080108 STLLLLKM C42H79N9O11S 917.562 NA PeJP NA NA +PJ080109 ATTTLKKR C39H75N13O12 917.5658 NA PeJP NA NA +PJ080110 SSSLLKKR C39H75N13O12 917.5659 NA PeJP NA NA +PJ080111 GVKFRRR C40H71N17O8 917.5672 NA PeJP NA NA +PJ080112 LLLLQRY C44H75N11O10 917.5699 NA PeJP NA NA +PJ080113 GTLLKKKM C41H79N11O10S 917.5733 NA PeJP NA NA +PJ080114 VLLLKFW C49H75N9O8 917.5739 NA PeJP NA NA +PJ080115 GSSKKKKR C38H75N15O11 917.5771 NA PeJP NA NA +PJ080116 KFRRRR C39H71N19O7 917.5784 NA PeJP NA NA +PJ080117 VVLLRRY C43H75N13O9 917.5811 NA PeJP NA NA +PJ080118 QKKKKKM C40H79N13O9S 917.5845 NA PeJP NA NA +PJ080119 STTLLKKK C41H79N11O12 917.591 NA PeJP NA NA +PJ080120 ALKKFRR C42H75N15O8 917.5923 NA PeJP NA NA +PJ080121 GVLLLLKY C46H79N9O10 917.595 NA PeJP NA NA +PJ080122 CKKKKKR C39H79N15O8S 917.5957 NA PeJP NA NA +PJ080123 GTTKKKKK C40H79N13O11 917.6022 NA PeJP NA NA +PJ080124 LLLLKRY C45H79N11O9 917.6063 NA PeJP NA NA +PJ080125 VLKKKFR C44H79N13O8 917.6175 NA PeJP NA NA +PJ080126 KKKKKKM C41H83N13O8S 917.6209 NA PeJP NA NA +HMDB12319 3-O-Sulfogalactosylceramide (d18:1/26:1(17Z)) C50H95NO11S 917.662598 NA HMDB2010 NA NA +HMDB04835 Galabiosylceramide (d18:1/20:0) C50H95NO13 917.680359 NA HMDB2010 NA NA +HMDB11593 Lactosylcermide (d18:1/20:0) C50H95NO13 917.680359 NA HMDB2010 NA NA +HMDB04835 Galabiosylceramide (d18:1/20:0) C50H95NO13 917.68036 http://www.hmdb.ca/metabolites/HMDB04835 HMDB NA NA +HMDB04870 Lactosylceramide (d18:1/20:0) C50H95NO13 917.68036 http://www.hmdb.ca/metabolites/HMDB04870 HMDB NA NA +HMDB04835 Galabiosylceramide (d18:1/20:0) C50H95NO13 917.68036 HMDB04835 PFEM_hmdb_metabocards_official NA NA +HMDB04870 Lactosylceramide (d18:1/20:0) C50H95NO13 917.68036 HMDB04870 PFEM_hmdb_metabocards_official NA NA +HMDB08684 PC(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)) C54H96NO8P 917.687378 NA HMDB2010 NA NA +HMDB08717 PC(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) C54H96NO8P 917.687378 NA HMDB2010 NA NA +HMDB08749 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0) C54H96NO8P 917.687378 NA HMDB2010 NA NA +HMDB08781 PC(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C54H96NO8P 917.687378 NA HMDB2010 NA NA +HMDB08812 PC(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C54H96NO8P 917.687378 NA HMDB2010 NA NA +HMDB08813 PC(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C54H96NO8P 917.687378 NA HMDB2010 NA NA +2853 NA YGGFLGARKSARKLANQ 917.9979 MH2+ Inhouse_peptide NA peptide +2930 NA YGGFLGARKSARKLANQ 917.9979 MH2+ Inhouse_peptide NA peptide +MJ097700 Mallotusinin C41H26O25 918.076316 NA MeJP NA NA +MJ097701 Heptafuhalol A C42H30O24 918.112701 NA MeJP NA NA +MJ097702 Pseudoheptafuhalol A C42H30O24 918.112701 NA MeJP NA NA +MJ097703 Pseudoheptafuhalol B C42H30O24 918.112701 NA MeJP NA NA +MJ097704 Pseudoheptafuhalol C C42H30O24 918.112701 NA MeJP NA NA +MJ097705 Pseudoheptafuhalol D C42H30O24 918.112701 NA MeJP NA NA +MJ097706 Trihydroxyheptaphlorethol A C42H30O24 918.112701 NA MeJP NA NA +PJ080127 CCCDDDDM C30H46N8O17S4 918.1864 NA PeJP NA NA +PJ080128 GSCCCCNDD C29H46N10O16S4 918.1977 NA PeJP NA NA +PJ080129 GPCCCCCCQ C30H50N10O11S6 918.1985 NA PeJP NA NA +PJ080130 CCCCNNEM C30H50N10O13S5 918.2163 NA PeJP NA NA +PJ080131 SCCDDDMM C31H50N8O16S4 918.2228 NA PeJP NA NA +PJ080132 PCCCCEMM C32H54N8O11S6 918.2237 NA PeJP NA NA +MJ097707 Siroheme C42H46FeN4O16 918.225823 NA MeJP NA NA +PJ080133 CCCCCNDR C29H50N12O12S5 918.2275 NA PeJP NA NA +PJ080134 GCCCCNMW C34H50N10O10S5 918.2315 NA PeJP NA NA +PJ080135 GSSCCCNDM C30H50N10O15S4 918.234 NA PeJP NA NA +PJ080136 GPCCCCCCK C31H54N10O10S6 918.2349 NA PeJP NA NA +PJ080137 GCCDDDEY C34H46N8O18S2 918.2372 NA PeJP NA NA +PJ080138 PCCCCDEF C35H50N8O13S4 918.2381 NA PeJP NA NA +PJ080139 GCCDEMMM C32H54N8O13S5 918.2414 NA PeJP NA NA +PJ080140 SCCCDDHH C32H46N12O14S3 918.2419 NA PeJP NA NA +FL5FAAGL0093 Kaempferol 3-(2'''-(E)-p-coumarylsophoroside)-7-glucoside C42H46O23 918.24298 151649-64-8 knapsack NA NA +FL5FAAGL0098 Kaempferol 3-(2''-caffeyllaminaribioside)-7-rhamnoside C42H46O23 918.24298 128700-29-8 knapsack NA NA +FL5FAAGL0099 Kaempferol 3-(4''-caffeyllaminaribioside)-7-rhamnoside C42H46O23 918.24298 75848-03-2 knapsack NA NA +FL5FAAGL0107 Kaempferol 7-O-(6-trans-caffeoyl)-beta-glucopyranosyl-(1->3)-alpha-rhamnopyranoside-3-O-beta-glucopyranoside C42H46O23 918.24298 352644-38-3 knapsack NA NA +FL5FACGA0042 Variabiloside A C42H46O23 918.24298 113270-93-2 knapsack NA NA +FL5FACGA0043 Variabiloside B C42H46O23 918.24298 113349-36-3 knapsack NA NA +FL5FACGL0077 Quercetin 3-(6'''-p-coumaryl-gentiobioside)-7-rhamnoside C42H46O23 918.24298 138989-38-5 knapsack NA NA +FL5FACGS0055 Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside C42H46O23 918.24298 142997-33-9 knapsack NA NA +FL5FACGS0058 Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside-7-glucoside C42H46O23 918.24298 143016-73-3 knapsack NA NA +FL5FACGS0114 Quercetin 3-(6''-(E)-p-coumaroylsophoroside)-7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3-[[2-O-beta-D-glucopyranosyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-hydroxy-4H-1-benzopyran-4-one C42H46O23 918.24298 342620-95-5 knapsack NA NA +FL5FAGGA0008 Myricetin 3-(4''-p-coumarylrobinobioside)-7-rhamnoside C42H46O23 918.24298 107742-05-2 knapsack NA NA +MJ097708 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[4-Hydroxycinnamoyl-(??)-[?-L-rhamnopyranosyl-(1??)-?-D-galactopyranoside]], 7-O-rhamnopyranoside C42H46O23 918.242987 NA MeJP NA NA +MJ097709 Astragalin; 2''-O-(3,4-Dihydroxycinnamoyl), 3''-O-?-D-glucopyranosyl, 7-O-?-L-rhamnopyranoside C42H46O23 918.242987 NA MeJP NA NA +MJ097710 Astragalin; 2''-O-[4-Hydroxy-E-cinnamoyl-(?2)-?-D-glucopyranosyl], 7-O-?-D-glucopyranoside C42H46O23 918.242987 NA MeJP NA NA +MJ097711 Astragalin; 7-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C42H46O23 918.242987 NA MeJP NA NA +MJ097712 Populnin; 3-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside C42H46O23 918.242987 NA MeJP NA NA +MJ097713 Quercimeritrin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxy-E-cinnamoyl-(?4)]-?-D-galactopyranoside] C42H46O23 918.242987 NA MeJP NA NA +MJ097714 Quercimeritrin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxy-Z-cinnamoyl-(?4)]-?-D-galactopyranoside] C42H46O23 918.242987 NA MeJP NA NA +MJ097715 Quercitrin; 2''-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl], 7-O-?-D-glucopyranoside C42H46O23 918.242987 NA MeJP NA NA +MJ097716 Quercitrin; 2''-O-[?-D-Glucopyranosyl-(1?4)-4-hydroxycinnamoyl-(?6)-?-D-glucopyranosyl] C42H46O23 918.242987 NA MeJP NA NA +MJ097717 Vincetoxicoside B; 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H46O23 918.242987 NA MeJP NA NA +MJ097718 Vincetoxicoside B; 3-O-[4-Hydroxycinnamoyl-(?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C42H46O23 918.242987 NA MeJP NA NA +MJ097719 Vincetoxicoside B; 3-O-[4-Hydroxycinnamoyl-(??)-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside]] C42H46O23 918.242987 NA MeJP NA NA +MJ097720 ?-Rhamnoisorobin; 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H46O23 918.242987 NA MeJP NA NA +MJ097721 ?-Rhamnoisorobin; 3-O-[3,4-Dihydroxycinnamoyl-(?4)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] C42H46O23 918.242987 NA MeJP NA NA +MJ097722 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?4)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C42H47O23(+) 918.242987 NA MeJP NA NA +MJ097723 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 5-O-[4-hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C42H47O23(+) 918.242987 NA MeJP NA NA +MJ097724 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 5-O-[4-hydroxy-Z-cinnamoyl-(?6)-?-D-glucopyranoside] C42H47O23(+) 918.242987 NA MeJP NA NA +MJ097725 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside], 5-O-[4-hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C42H47O23(+) 918.242987 NA MeJP NA NA +MJ097726 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside], 5-O-[4-hydroxy-Z-cinnamoyl-(?6)-?-D-glucopyranoside] C42H47O23(+) 918.242987 NA MeJP NA NA +MJ097727 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-[4-hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C42H47O23(+) 918.242987 NA MeJP NA NA +MJ097728 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-[4-hydroxy-Z-cinnamoyl-(?6)-?-D-glucopyranoside] C42H47O23(+) 918.242987 NA MeJP NA NA +MJ097729 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-[3,4-dihydroxycinnamoyl-(?6)]-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C42H47O23(+) 918.242987 NA MeJP NA NA +MJ097730 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(?3)-3,4-dihydroxycinnamoyl-(?3)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C42H47O23(+) 918.242987 NA MeJP NA NA +C12636 Kaempferol C42H46O23 918.243 NA KEGG NA NA +PJ080141 PCCDDDDH C33H46N10O17S2 918.2484 NA PeJP NA NA +PJ080142 SSCCCCQW C34H50N10O12S4 918.2493 NA PeJP NA NA +PJ080143 SSSSCCCNE C30H50N10O17S3 918.2518 NA PeJP NA NA +PJ080144 CCDDDYW C38H46N8O15S2 918.2524 NA PeJP NA NA +PJ080145 SCCCNQMM C31H54N10O12S5 918.2527 NA PeJP NA NA +PJ080146 SSCDDDDY C34H46N8O20S 918.2549 NA PeJP NA NA +PJ080147 SPCCCDEY C35H50N8O15S3 918.2558 NA PeJP NA NA +PJ080148 CCDMMMW C36H54N8O10S5 918.2567 NA PeJP NA NA +MetaCyc04311 pyrrocorphinate [] C42H48N6O14NI1 918.258198 NA metacyc NA NA +PJ080149 SSCDDMMM C32H54N8O15S4 918.2592 NA PeJP NA NA +PJ080150 PTCCCMMM C33H58N8O10S6 918.2601 NA PeJP NA NA +PJ080151 GCCCEMHH C33H50N12O11S4 918.2605 NA PeJP NA NA +PJ080152 SCCCCNMR C30H54N12O11S5 918.2639 NA PeJP NA NA +FL3FACGS0018 Luteolin 7-neohesperidoside-4'-sophoroside C39H50O25 918.26411 63043-64-1 knapsack NA NA +FL5FAAGL0055 Kaempferol 3-sophorotrioside-7-rhamnoside C39H50O25 918.26411 50906-48-4 knapsack NA NA +FL5FAAGL0057 Kaempferol 3-(2G-glucosylrutinoside)-7-glucoside C39H50O25 918.26411 131559-50-7 knapsack NA NA +FL5FAAGL0059 Kaempferol 3-rutinoside-7-sophoroside C39H50O25 918.26411 152503-07-6 knapsack NA NA +FL5FACGL0051 Quercetin 3-(2G-rhamnosylrutinoside)-7-glucoside C39H50O25 918.26411 74517-69-4 knapsack NA NA +FL5FACGS0087 Quercetin 3-glucosyl-(1->4)-rhamnoside-7-rutinoside;3-[(6-Deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one C39H50O25 918.26411 187410-77-1 knapsack NA NA +FL5FACGS0088 Quercetin 3-rhamnosyl-(1->6)-[glucosyl-(1->2)-glucoside]-7-rhamnoside;3-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one C39H50O25 918.26411 637774-58-4 knapsack NA NA +MJ097731 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?6)-[?-D-xylopyranosyl-(1?2)]-?-D-glucopyranoside] C39H50O25 918.264117 NA MeJP NA NA +MJ097732 3',4',5,7-Tetrahydroxyflavone; 4'-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 7-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C39H50O25 918.264117 NA MeJP NA NA +MJ097733 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 4',7-di-O-?-D-glucopyranoside C39H50O25 918.264117 NA MeJP NA NA +MJ097734 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 4'-O-[?-D-glucopyranosyl-(1??)-?-D-glucopyranoside] C39H50O25 918.264117 NA MeJP NA NA +MJ097735 3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C39H50O25 918.264117 NA MeJP NA NA +MJ097736 Astragalin; 2''-O-?-D-Glucopyranosyl, 6''-O-?-L-rhamnopyranosyl, 7-O-?-D-glucopyranoside C39H50O25 918.264117 NA MeJP NA NA +MJ097737 Quercimeritrin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] C39H50O25 918.264117 NA MeJP NA NA +MJ097738 Quercitrin; 4''-O-Glucopyranosyl, 7-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C39H50O25 918.264117 NA MeJP NA NA +MJ097739 Vicenin 2; 2'',2'''-Di-O-?-D-glucopyranosyl C39H50O25 918.264117 NA MeJP NA NA +MJ097740 Vicenin 2; 4'',4'''-Di-O-?-D-glucopyranosyl C39H50O25 918.264117 NA MeJP NA NA +MJ097741 Vicenin 2; 6'',6'''-Di-O-?-D-glucopyranosyl C39H50O25 918.264117 NA MeJP NA NA +MJ097742 ?-Rhamnoisorobin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C39H50O25 918.264117 NA MeJP NA NA +PJ080153 GCCCCHFF C38H50N10O9S4 918.2646 NA PeJP NA NA +PJ080154 GDDDDDMH C33H46N10O19S 918.2662 NA PeJP NA NA +PJ080155 GSSSSCCCW C34H50N10O14S3 918.267 NA PeJP NA NA +PJ080156 GGGCCNDMY C34H50N10O14S3 918.2671 NA PeJP NA NA +PJ080157 ACCCCCKW C35H54N10O9S5 918.2679 NA PeJP NA NA +PJ080158 GSSSSSSCCD C30H50N10O19S2 918.2695 NA PeJP NA NA +PJ080159 GSSSCCNMM C31H54N10O14S4 918.2704 NA PeJP NA NA +PJ080160 CCDDMFW C39H50N8O12S3 918.2711 NA PeJP NA NA +PJ080161 GSCDDEMY C35H50N8O17S2 918.2736 NA PeJP NA NA +PJ080162 GPCCDMMY C36H54N8O12S4 918.2744 NA PeJP NA NA +PJ080163 CCCMHHW C37H50N12O8S4 918.2758 NA PeJP NA NA +PJ080164 SCNNDDDH C32H46N12O18S 918.2774 NA PeJP NA NA +PJ080165 GSCEMMMM C33H58N8O12S5 918.2778 NA PeJP NA NA +PJ080166 SSCCDMHH C33H50N12O13S3 918.2783 NA PeJP NA NA +PJ080167 CDDDEHW C37H46N10O16S 918.2814 NA PeJP NA NA +PJ080168 ASSSCCCCR C30H54N12O13S4 918.2816 NA PeJP NA NA +PJ080169 GSSTCCCCR C30H54N12O13S4 918.2817 NA PeJP NA NA +PJ080170 CCCNQYW C38H50N10O11S3 918.2823 NA PeJP NA NA +PJ080171 SSDDDDEH C33H46N10O21 918.2839 NA PeJP NA NA +PJ080172 GGPNDDDDD C33H46N10O21 918.284 NA PeJP NA NA +PJ080173 SSCCNNEY C34H50N10O16S2 918.2848 NA PeJP NA NA +PJ080174 SSCCCCKW C35H54N10O11S4 918.2857 NA PeJP NA NA +PJ080175 NDDDDYY C38H46N8O19 918.288 NA PeJP NA NA +PJ080176 SSSSSCCQM C31H54N10O16S3 918.2882 NA PeJP NA NA +PJ080177 SCDDMYW C39H50N8O14S2 918.2888 NA PeJP NA NA +PJ080178 SCCCNKMM C32H58N10O11S5 918.289 NA PeJP NA NA +PJ080179 GGSCCCKMM C32H58N10O11S5 918.2891 NA PeJP NA NA +PJ080180 PPCCCCFF C40H54N8O9S4 918.2897 NA PeJP NA NA +PJ080181 SSSDDDMY C35H50N8O19S 918.2913 NA PeJP NA NA +PJ080182 NDDMMMY C36H54N8O14S3 918.2922 NA PeJP NA NA +PJ080183 SCMMMMW C37H58N8O9S5 918.2931 NA PeJP NA NA +PJ080184 GPCCCNHW C37H50N12O10S3 918.2935 NA PeJP NA NA +PJ080185 GGGPCCCHW C37H50N12O10S3 918.2936 NA PeJP NA NA +PJ080186 SSSDMMMM C33H58N8O14S4 918.2956 NA PeJP NA NA +PJ080187 GCNNDEMH C33H50N12O15S2 918.296 NA PeJP NA NA +PJ080188 GGGCNDEMH C33H50N12O15S2 918.2961 NA PeJP NA NA +PJ080189 NMMMMMM C34H62N8O9S6 918.2964 NA PeJP NA NA +PJ080190 GCCCCQFR C34H54N12O10S4 918.2969 NA PeJP NA NA +PJ080191 SSSSSCCCR C30H54N12O15S3 918.2994 NA PeJP NA NA +PJ080192 GSSCCNYW C38H50N10O13S2 918.3001 NA PeJP NA NA +PJ080193 TCCCCCKR C31H58N12O10S5 918.3003 NA PeJP NA NA +PJ080194 GSSSSCNDY C34H50N10O18S 918.3026 NA PeJP NA NA +PJ080195 CCDEMRY C35H54N10O13S3 918.3034 NA PeJP NA NA +PJ080196 GGGPPPCCCE C35H54N10O13S3 918.3035 NA PeJP NA NA +MJ097743 Perdeacylemarginatine; 8-Epimer, 1-benzoyl, 6,9,14-tri-Ac C46H50N2O18 918.305862 NA MeJP NA NA +PJ080197 GSSSSSSSCM C31H54N10O18S2 918.3059 NA PeJP NA NA +PJ080198 GSPCDDYY C39H50N8O16S 918.3066 NA PeJP NA NA +PJ080199 GSSTCCCKM C32H58N10O13S4 918.3068 NA PeJP NA NA +PJ080200 GCCNDDHR C32H50N14O14S2 918.3073 NA PeJP NA NA +PJ080201 GCEMMYW C40H54N8O11S3 918.3074 NA PeJP NA NA +PJ080202 VCCDMYW C40H54N8O11S3 918.3075 NA PeJP NA NA +PJ080203 GPDDEEEE C35H50N8O21 918.3091 NA PeJP NA NA +PJ080204 GSSDEMMY C36H54N8O16S2 918.31 NA PeJP NA NA +PJ080205 GSPCMMMY C37H58N8O11S4 918.3108 NA PeJP NA NA +PJ080206 CNNDMHW C37H50N12O12S2 918.3113 NA PeJP NA NA +PJ080207 SSNNDDMH C33H50N12O17S 918.3138 NA PeJP NA NA +PJ080208 GSTMMMMM C34H62N8O11S5 918.3142 NA PeJP NA NA +PJ080209 GSCCCQRY C34H54N12O12S3 918.3147 NA PeJP NA NA +PJ080210 SDDEMHW C38H50N10O15S 918.3178 NA PeJP NA NA +PJ080211 CCCNKYW C39H54N10O10S3 918.3187 NA PeJP NA NA +PJ080212 SSSDEEEH C34H50N10O20 918.3203 NA PeJP NA NA +PJ080213 SSSCNQMY C35H54N10O15S2 918.3212 NA PeJP NA NA +PJ080214 GSDDDHHH C35H46N14O16 918.3217 NA PeJP NA NA +PJ080215 GCDEFYW C43H50N8O13S 918.3218 NA PeJP NA NA +PJ080216 CCEMMFR C36H58N10O10S4 918.3221 NA PeJP NA NA +PJ080217 GPCCEHHH C36H50N14O11S2 918.3225 NA PeJP NA NA +PJ080218 CMMYWW C44H54N8O8S3 918.3227 NA PeJP NA NA +PJ080219 SSSSSSSSTC C31H54N10O20S 918.3237 NA PeJP NA NA +PJ080220 SNDEEYY C39H50N8O18 918.3243 NA PeJP NA NA +PJ080221 PDDEEEW C39H50N8O18 918.3244 NA PeJP NA NA +PJ080222 SSSSSCCKM C32H58N10O15S3 918.3246 NA PeJP NA NA +PJ080223 GSSSCNNNH C32H50N14O16S 918.325 NA PeJP NA NA +PJ080224 GGGGGGGSSSCH C32H50N14O16S 918.3251 NA PeJP NA NA +PJ080225 SSDMMYW C40H54N8O13S2 918.3252 NA PeJP NA NA +PJ080226 TCCCCKKM C33H62N10O10S5 918.3254 NA PeJP NA NA +PJ080227 SPCCCNHR C33H54N14O11S3 918.3259 NA PeJP NA NA +PJ080228 ACMMMFW C41H58N8O8S4 918.3261 NA PeJP NA NA +PJ080229 ACCNHWW C41H50N12O9S2 918.3265 NA PeJP NA NA +PJ080230 GCCQHWW C41H50N12O9S2 918.3266 NA PeJP NA NA +PJ080231 SSSSEEMY C36H54N8O18S 918.3277 NA PeJP NA NA +PJ080232 SQEMMMY C37H58N8O13S3 918.3286 NA PeJP NA NA +PJ080233 GSSCNEHW C37H50N12O14S 918.3291 NA PeJP NA NA +PJ080234 CNMMHHF C38H54N12O9S3 918.3299 NA PeJP NA NA +PJ080235 GSSSSNDEH C33H50N12O19 918.3316 NA PeJP NA NA +PJ080236 SSTTMMMM C34H62N8O13S4 918.3319 NA PeJP NA NA +PJ080237 SSSCCNRY C34H54N12O14S2 918.3324 NA PeJP NA NA +PJ080238 GGGGGGGPPTCC C34H54N12O14S2 918.3325 NA PeJP NA NA +PJ080239 GCNNYYW C42H50N10O12S 918.3331 NA PeJP NA NA +PJ080240 GCCCCKFR C35H58N12O9S4 918.3333 NA PeJP NA NA +PJ080241 GSPNDDEW C38H50N10O17 918.3356 NA PeJP NA NA +PJ080242 GEEMMHW C39H54N10O12S2 918.3364 NA PeJP NA NA +PJ080243 VCDEMHW C39H54N10O12S2 918.3365 NA PeJP NA NA +PJ080244 CDFYWW C47H50N8O10S 918.3371 NA PeJP NA NA +PJ080245 PCCHHHW C40H50N14O8S2 918.3378 NA PeJP NA NA +PJ080246 GSSSSSNMY C35H54N10O17S 918.3389 NA PeJP NA NA +PJ080247 GSTEEEMH C35H54N10O17S 918.339 NA PeJP NA NA +PJ080248 GSDEYYW C43H50N8O15 918.3396 NA PeJP NA NA +PJ080249 SCEMMRY C36H58N10O12S3 918.3398 NA PeJP NA NA +PJ080250 GCNNNNHF C36H50N14O13S 918.3403 NA PeJP NA NA +PJ080251 GPCMYYW C44H54N8O10S2 918.3405 NA PeJP NA NA +PJ080252 GNNNDDDR C32H50N14O18 918.3428 NA PeJP NA NA +PJ080253 GQEEMYY C40H54N8O15S 918.343 NA PeJP NA NA +PJ080254 GSCNDMHR C33H54N14O13S2 918.3437 NA PeJP NA NA +PJ080255 GTMMMYW C41H58N8O10S3 918.3438 NA PeJP NA NA +PJ080256 SSCNHWW C41H50N12O11S 918.3443 NA PeJP NA NA +PJ080257 GPTEEEEE C36H54N8O20 918.3455 NA PeJP NA NA +PJ080258 GSTTEMMY C37H58N8O15S2 918.3463 NA PeJP NA NA +PJ080259 GPPEEEMM C37H58N8O15S2 918.3464 NA PeJP NA NA +PJ080260 SSSSNDHW C37H50N12O16 918.3468 NA PeJP NA NA +PJ080261 VNMMMMY C38H62N8O10S4 918.3472 NA PeJP NA NA +PJ080262 SNNMMHW C38H54N12O11S2 918.3477 NA PeJP NA NA +PJ080263 GPNDDDMR C34H54N12O16S 918.3502 NA PeJP NA NA +PJ080264 SPNDDWW C42H50N10O14 918.3508 NA PeJP NA NA +PJ080265 NQQMMMH C35H58N12O11S3 918.351 NA PeJP NA NA +PJ080266 GSCCCKRY C35H58N12O11S3 918.3511 NA PeJP NA NA +PJ080267 CDDHHHR C35H50N16O12S 918.3515 NA PeJP NA NA +PJ080268 EMMHWW C43H54N10O9S2 918.3517 NA PeJP NA NA +MJ097744 Amanitin; ?-Amanitin C39H54N10O14S 918.354167 NA MeJP NA NA +C08438 alpha-Amanitin C39H54N10O14S 918.3542 NA KEGG NA NA +PJ080269 STEEMHW C39H54N10O14S 918.3542 NA PeJP NA NA +PJ080270 SDYYWW C47H50N8O12 918.3548 NA PeJP NA NA +PJ080271 SPMMMHW C40H58N10O9S3 918.3551 NA PeJP NA NA +PJ080272 ACEHHHW C40H50N14O10S 918.3555 NA PeJP NA NA +PJ080273 GDMHHHW C40H50N14O10S 918.3556 NA PeJP NA NA +PJ080274 CMFFWW C48H54N8O7S2 918.3557 NA PeJP NA NA +PJ080275 SSSSSSSQY C35H54N10O19 918.3567 NA PeJP NA NA +PJ080276 SSSCNKMY C36H58N10O14S2 918.3576 NA PeJP NA NA +PJ080277 GSNNNNNW C36H50N14O15 918.358 NA PeJP NA NA +PJ080278 GGGGGSNNNW C36H50N14O15 918.3581 NA PeJP NA NA +PJ080279 QEMYYW C44H54N8O12S 918.3582 NA PeJP NA NA +PJ080280 GMMMMRY C37H62N10O9S4 918.3584 NA PeJP NA NA +PJ080281 GCCCKKMF C37H62N10O9S4 918.3585 NA PeJP NA NA +PJ080282 SCCQHRW C37H54N14O10S2 918.3589 NA PeJP NA NA +PJ080283 PTEEEEW C40H54N8O17 918.3607 NA PeJP NA NA +PJ080284 SSSCNEHR C33H54N14O15S 918.3614 NA PeJP NA NA +PJ080285 GGGGGGGGGGAQM C33H54N14O15S 918.3615 NA PeJP NA NA +PJ080286 STTMMYW C41H58N8O12S2 918.3616 NA PeJP NA NA +PJ080287 GNNNEWW C41H50N12O13 918.3621 NA PeJP NA NA +PJ080288 CNQMMHR C34H58N14O10S3 918.3623 NA PeJP NA NA +PJ080289 GCCKHWW C42H54N12O8S2 918.3629 NA PeJP NA NA +PJ080290 SSTTTEMY C37H58N8O17S 918.3641 NA PeJP NA NA +PJ080291 SKEMMMY C38H62N8O12S3 918.365 NA PeJP NA NA +PJ080292 PCNDERW C38H54N12O13S 918.3654 NA PeJP NA NA +PJ080293 GGPCDERW C38H54N12O13S 918.3655 NA PeJP NA NA +PJ080294 DEHFWW C46H50N10O11 918.3661 NA PeJP NA NA +PJ080295 NNEEEER C34H54N12O18 918.3679 NA PeJP NA NA +PJ080296 GGNEEEER C34H54N12O18 918.368 NA PeJP NA NA +PJ080297 SEEMMHR C35H58N12O13S2 918.3688 NA PeJP NA NA +PJ080298 SSSNNHHH C35H50N16O14 918.3693 NA PeJP NA NA +PJ080299 GPNEMWW C43H54N10O11S 918.3695 NA PeJP NA NA +PJ080300 GSSSQQYY C39H54N10O16 918.3719 NA PeJP NA NA +PJ080301 AQQEEEW C39H54N10O16 918.372 NA PeJP NA NA +PJ080302 GCNNNNQR C32H54N16O14S 918.3726 NA PeJP NA NA +PJ080303 GGGCNNNQR C32H54N16O14S 918.3727 NA PeJP NA NA +PJ080304 SVEMMHW C40H58N10O11S2 918.3728 NA PeJP NA NA +PJ080305 GGGGPPPCMF C40H58N10O11S2 918.3729 NA PeJP NA NA +PJ080306 SSEHHHW C40H50N14O12 918.3733 NA PeJP NA NA +PJ080307 AMYYWW C48H54N8O9S 918.3735 NA PeJP NA NA +PJ080308 GSSSSTCKY C36H58N10O16S 918.3753 NA PeJP NA NA +PJ080309 GGGPDKEEM C36H58N10O16S 918.3754 NA PeJP NA NA +PJ080310 GTTEYYW C44H54N8O14 918.376 NA PeJP NA NA +PJ080311 STMMMRY C37H62N10O11S3 918.3762 NA PeJP NA NA +PJ080312 GSSSCHRW C37H54N14O12S 918.3767 NA PeJP NA NA +PJ080313 AAMMFYW C45H58N8O9S2 918.3768 NA PeJP NA NA +PJ080314 GCLMFYW C45H58N8O9S2 918.3769 NA PeJP NA NA +PJ080315 NNNWWW C45H50N12O10 918.3773 NA PeJP NA NA +PJ080316 NDDDERR C33H54N14O17 918.3792 NA PeJP NA NA +PJ080317 SVQEMYY C41H58N8O14S 918.3793 NA PeJP NA NA +PJ080318 PVEEEMW C41H58N8O14S 918.3794 NA PeJP NA NA +PJ080319 TFYYYY C49H54N6O12 918.38 NA PeJP NA NA +PJ080320 GGGSSMMHR C34H58N14O12S2 918.3801 NA PeJP NA NA +PJ080321 PCKMMFY C42H62N8O9S3 918.3802 NA PeJP NA NA +PJ080322 GPCDRWW C42H54N12O10S 918.3807 NA PeJP NA NA +PJ080323 AALEEEEE C37H58N8O19 918.3819 NA PeJP NA NA +PJ080324 SSSTLMMY C38H62N8O14S2 918.3827 NA PeJP NA NA +PJ080325 GNEEERW C38H54N12O15 918.3832 NA PeJP NA NA +PJ080326 CLKMMMY C39H66N8O9S4 918.3836 NA PeJP NA NA +PJ080327 GPPTCCRW C39H58N12O10S2 918.3841 NA PeJP NA NA +PJ080328 NNNHHHF C39H50N16O11 918.3845 NA PeJP NA NA +PJ080329 GGGGNHHHF C39H50N16O11 918.3846 NA PeJP NA NA +PJ080330 PNMWWW C47H54N10O8S 918.3847 NA PeJP NA NA +PJ080331 GSPNEEMR C35H58N12O15S 918.3866 NA PeJP NA NA +PJ080332 AAQEEWW C43H54N10O13 918.3872 NA PeJP NA NA +PJ080333 VDMMMHR C36H62N12O10S3 918.3874 NA PeJP NA NA +PJ080334 GGAPPCMMR C36H62N12O10S3 918.3875 NA PeJP NA NA +PJ080335 SDMHHHR C36H54N16O11S 918.3879 NA PeJP NA NA +PJ080336 PPCCKWW C44H58N10O8S2 918.3881 NA PeJP NA NA +PJ080337 SSNNNNNR C32H54N16O16 918.3904 NA PeJP NA NA +PJ080338 PNDKEMW C40H58N10O13S 918.3906 NA PeJP NA NA +PJ080339 TTYYWW C48H54N8O11 918.3912 NA PeJP NA NA +PJ080340 GSTCCHRR C33H58N16O11S2 918.3913 NA PeJP NA NA +PJ080341 ALMMMHW C41H62N10O8S3 918.3915 NA PeJP NA NA +PJ080342 GCNHFRW C41H54N14O9S 918.3919 NA PeJP NA NA +PJ080343 SSSSSSSKY C36H58N10O18 918.3931 NA PeJP NA NA +PJ080344 SPPTQQMM C37H62N10O13S2 918.3939 NA PeJP NA NA +PJ080345 SSTCCKKY C37H62N10O13S2 918.394 NA PeJP NA NA +PJ080346 GDDDRRW C37H54N14O14 918.3944 NA PeJP NA NA +PJ080347 GGGGGGSERW C37H54N14O14 918.3945 NA PeJP NA NA +PJ080348 KEMYYW C45H58N8O11S 918.3946 NA PeJP NA NA +PJ080349 SCCKHRW C38H58N14O9S2 918.3953 NA PeJP NA NA +PJ080350 SQHHHHH C38H50N18O10 918.3958 NA PeJP NA NA +PJ080351 VVEEEEW C41H58N8O16 918.3971 NA PeJP NA NA +PJ080352 GSPCDERR C34H58N14O14S 918.3978 NA PeJP NA NA +PJ080353 SPKMMYY C42H62N8O11S2 918.398 NA PeJP NA NA +PJ080354 GSQQQWW C42H54N12O12 918.3984 NA PeJP NA NA +PJ080355 NEERWW C42H54N12O12 918.3985 NA PeJP NA NA +PJ080356 GPPCCMRR C35H62N14O9S3 918.3987 NA PeJP NA NA +PJ080357 TTTTTTMY C38H62N8O16S 918.4005 NA PeJP NA NA +MJ097745 RA-V; 5''-O-?-D-Glucopyranoside C46H58N6O14 918.4011 NA MeJP NA NA +MJ097746 RA-V; 5'-O-De-Me, 5''-Me ether, 5'-O-?-D-glucopyranoside C46H58N6O14 918.4011 NA MeJP NA NA +PJ080358 APPLEMMM C39H66N8O11S3 918.4014 NA PeJP NA NA +PJ080359 SPNEMRW C39H58N12O12S 918.4018 NA PeJP NA NA +PJ080360 GGGGGGGALMW C39H58N12O12S 918.4019 NA PeJP NA NA +PJ080361 VNEWWW C47H54N10O10 918.4025 NA PeJP NA NA +PJ080362 NDKEEER C35H58N12O17 918.4043 NA PeJP NA NA +PJ080363 GGGGGGATKEE C35H58N12O17 918.4044 NA PeJP NA NA +PJ080364 PQQEMMR C36H62N12O12S2 918.4052 NA PeJP NA NA +PJ080365 GSPNDHHR C36H54N16O13 918.4057 NA PeJP NA NA +PJ080366 APTQMWW C44H58N10O10S 918.4058 NA PeJP NA NA +PJ080367 GPDKMWW C44H58N10O10S 918.4059 NA PeJP NA NA +PJ080368 AFFYWW C52H54N8O8 918.4065 NA PeJP NA NA +PJ080369 AQKEEEW C40H58N10O15 918.4083 NA PeJP NA NA +PJ080370 GAAKEEEW C40H58N10O15 918.4084 NA PeJP NA NA +PJ080371 SSSSCHRR C33H58N16O13S 918.409 NA PeJP NA NA +PJ080372 GGGGNDMRR C33H58N16O13S 918.4091 NA PeJP NA NA +PJ080373 TTLMMHW C41H62N10O10S2 918.4092 NA PeJP NA NA +PJ080374 GSNNRWW C41H54N14O11 918.4097 NA PeJP NA NA +PJ080375 AAMFFFW C49H58N8O8S 918.4099 NA PeJP NA NA +PJ080376 STTTLEMH C37H62N10O15S 918.4117 NA PeJP NA NA +PJ080377 SSTLYYW C45H58N8O13 918.4124 NA PeJP NA NA +PJ080378 LKEMMMH C38H66N10O10S3 918.4126 NA PeJP NA NA +PJ080379 ANNQMRW C38H58N14O11S 918.413 NA PeJP NA NA +PJ080380 SPCDRRW C38H58N14O11S 918.4131 NA PeJP NA NA +PJ080381 PCKMFFF C46H62N8O8S2 918.4132 NA PeJP NA NA +PJ080382 GERWWW C46H54N12O9 918.4137 NA PeJP NA NA +PJ080383 ASSSSSTHR C34H58N14O16 918.4155 NA PeJP NA NA +PJ080384 SNEEERR C34H58N14O16 918.4156 NA PeJP NA NA +PJ080385 SVKEMYY C42H62N8O13S 918.4157 NA PeJP NA NA +PJ080386 GPPLEEMF C42H62N8O13S 918.4158 NA PeJP NA NA +PJ080387 PNDMMRR C35H62N14O11S2 918.4164 NA PeJP NA NA +PJ080388 GGGGGPCKMR C35H62N14O11S2 918.4165 NA PeJP NA NA +PJ080389 CLKMMFF C43H66N8O8S3 918.4166 NA PeJP NA NA +PJ080390 NNNQHHR C35H54N18O12 918.4169 NA PeJP NA NA +PJ080391 GSPMRWW C43H58N12O9S 918.4171 NA PeJP NA NA +PJ080392 GVWWWW C51H54N10O7 918.4177 NA PeJP NA NA +PJ080393 PTTTLEEE C38H62N8O18 918.4182 NA PeJP NA NA +PJ080394 GTLLEEEE C38H62N8O18 918.4183 NA PeJP NA NA +PJ080395 GPLLEEMM C39H66N8O13S2 918.4191 NA PeJP NA NA +PJ080396 GDKEERW C39H58N12O14 918.4196 NA PeJP NA NA +PJ080397 SCKKMHW C40H62N12O9S2 918.4204 NA PeJP NA NA +PJ080398 APQMMRW C40H62N12O9S2 918.4205 NA PeJP NA NA +PJ080399 GEHHHFR C40H54N16O10 918.4209 NA PeJP NA NA +PJ080400 LMHFWW C48H58N10O7S 918.4211 NA PeJP NA NA +PJ080401 VQQEEMR C36H62N12O14S 918.4229 NA PeJP NA NA +PJ080402 GGLQEEMR C36H62N12O14S 918.423 NA PeJP NA NA +PJ080403 AAKEEWW C44H58N10O12 918.4236 NA PeJP NA NA +PJ080404 TLMMMHR C37H66N12O9S3 918.4238 NA PeJP NA NA +PJ080405 GCNQRRW C37H58N16O10S 918.4243 NA PeJP NA NA +PJ080406 GVHHHFW C45H54N14O8 918.425 NA PeJP NA NA +PJ080407 SDDDRRR C33H58N16O15 918.4268 NA PeJP NA NA +PJ080408 PTQKEMW C41H62N10O12S 918.427 NA PeJP NA NA +PJ080409 PKYYYW C49H58N8O10 918.4276 NA PeJP NA NA +PJ080410 PCCERRR C34H62N16O10S2 918.4277 NA PeJP NA NA +PJ080411 RWWWW C50H54N12O6 918.429 NA PeJP NA NA +PJ080412 QKKEEEE C37H62N10O17 918.4295 NA PeJP NA NA +PJ080413 SSTLLMMH C38H66N10O12S2 918.4303 NA PeJP NA NA +PJ080414 GPVQKEMM C38H66N10O12S2 918.4304 NA PeJP NA NA +PJ080415 GSEERRW C38H58N14O13 918.4308 NA PeJP NA NA +PJ080416 GGGGGGGGPPLH C38H58N14O13 918.4309 NA PeJP NA NA +PJ080417 PPLEMFW C46H62N8O10S 918.431 NA PeJP NA NA +PJ080418 APCMRRW C39H62N14O8S2 918.4317 NA PeJP NA NA +PJ080419 SKHHHHH C39H54N18O9 918.4322 NA PeJP NA NA +PJ080420 TLLEEEW C42H62N8O15 918.4335 NA PeJP NA NA +PJ080421 AQEEMRR C35H62N14O13S 918.4342 NA PeJP NA NA +PJ080422 PLLEMMW C43H66N8O10S2 918.4344 NA PeJP NA NA +PJ080423 DKERWW C43H58N12O11 918.4348 NA PeJP NA NA +PJ080424 GGGGATKWW C43H58N12O11 918.4349 NA PeJP NA NA +PJ080425 PCNHHRR C36H58N18O9S 918.4355 NA PeJP NA NA +PJ080426 HHHFRW C44H54N16O7 918.4362 NA PeJP NA NA +PJ080427 GVLLEEEM C39H66N8O15S 918.4369 NA PeJP NA NA +PJ080428 SPPLLMMM C40H70N8O10S3 918.4377 NA PeJP NA NA +PJ080429 GLQEMRW C40H62N12O11S 918.4382 NA PeJP NA NA +PJ080430 VDKWWW C48H58N10O9 918.4389 NA PeJP NA NA +PJ080431 TQKEEER C36H62N12O16 918.4407 NA PeJP NA NA +PJ080432 PQKEMMR C37H66N12O11S2 918.4416 NA PeJP NA NA +PJ080433 SSNNRRW C37H58N16O12 918.442 NA PeJP NA NA +PJ080434 GGSSNRRW C37H58N16O12 918.4421 NA PeJP NA NA +PJ080435 APTKMWW C45H62N10O9S 918.4422 NA PeJP NA NA +MJ097747 Glysperin B C40H66N6O18 918.443359 NA MeJP NA NA +PJ080436 AKKEEEW C41H62N10O14 918.4447 NA PeJP NA NA +PJ080437 GGGGGPLLEY C41H62N10O14 918.4448 NA PeJP NA NA +PJ080438 GDEMRRR C34H62N16O12S 918.4454 NA PeJP NA NA +PJ080439 PVQKMMW C42H66N10O9S2 918.4456 NA PeJP NA NA +MJ097748 Spirost-5-ene-1,3,12,23,24-pentol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] C44H70O20 918.446044 NA MeJP NA NA +PJ080440 SERRWW C42H58N14O10 918.4461 NA PeJP NA NA +PJ080441 LLEEEMR C38H66N10O14S 918.4481 NA PeJP NA NA +PJ080442 SPVKYYY C46H62N8O12 918.4487 NA PeJP NA NA +MJ097749 Somamide B C46H62N8O12 918.448719 NA MeJP NA NA +PJ080443 PVLEEFW C46H62N8O12 918.4488 NA PeJP NA NA +PJ080444 GPPKKMMM C39H70N10O9S3 918.449 NA PeJP NA NA +PJ080445 SSPMRRW C39H62N14O10S 918.4494 NA PeJP NA NA +PJ080446 AAEMRRW C39H62N14O10S 918.4495 NA PeJP NA NA +PJ080447 SVRWWW C47H58N12O8 918.4501 NA PeJP NA NA +PJ080448 SDKEERR C35H62N14O15 918.4519 NA PeJP NA NA +PJ080449 AASTEERR C35H62N14O15 918.452 NA PeJP NA NA +PJ080450 VLLEEMW C43H66N8O12S 918.4521 NA PeJP NA NA +PJ080451 PTQMMRR C36H66N14O10S2 918.4528 NA PeJP NA NA +PJ080452 GQEHHRR C36H58N18O11 918.4533 NA PeJP NA NA +PJ080453 LQMRWW C44H62N12O8S 918.4535 NA PeJP NA NA +PJ080454 SSLLLEEE C39H66N8O17 918.4546 NA PeJP NA NA +PJ080455 SPVLLEMM C40H70N8O12S2 918.4555 NA PeJP NA NA +PJ080456 ATKEERW C40H62N12O13 918.456 NA PeJP NA NA +PJ080457 SCNQRRR C33H62N18O11S 918.4567 NA PeJP NA NA +PJ080458 APKMMRW C41H66N12O8S2 918.4568 NA PeJP NA NA +PJ080459 GVQHHRW C41H58N16O9 918.4573 NA PeJP NA NA +PJ080460 VQKEEMR C37H66N12O13S 918.4593 NA PeJP NA NA +PJ080461 GGLKEEMR C37H66N12O13S 918.4594 NA PeJP NA NA +PJ080462 GTLKEWW C45H62N10O11 918.46 NA PeJP NA NA +PJ080463 DMRRRW C38H62N16O9S 918.4607 NA PeJP NA NA +PJ080464 SSEERRR C34H62N16O14 918.4632 NA PeJP NA NA +PJ080465 SCKKKYY C42H66N10O11S 918.4633 NA PeJP NA NA +PJ080466 PTKKEMW C42H66N10O11S 918.4634 NA PeJP NA NA +PJ080467 LKFYYW C50H62N8O9 918.464 NA PeJP NA NA +PJ080468 PTCMRRR C35H66N16O9S2 918.4641 NA PeJP NA NA +PJ080469 CLRRWW C43H62N14O7S 918.4647 NA PeJP NA NA +PJ080470 STTILQQE C38H66N10O16 918.4658 NA PeJP NA NA +PJ080471 KKKEEEE C38H66N10O16 918.4659 NA PeJP NA NA +PJ080472 GPVKKEMM C39H70N10O11S2 918.4667 NA PeJP NA NA +PJ080473 GGGGALLLMM C39H70N10O11S2 918.4668 NA PeJP NA NA +PJ080474 ATTERRW C39H62N14O12 918.4672 NA PeJP NA NA +PJ080475 PPLLMYW C47H66N8O9S 918.4674 NA PeJP NA NA +PJ080476 QHHRRW C40H58N18O8 918.4685 NA PeJP NA NA +PJ080477 GAHHRRW C40H58N18O8 918.4686 NA PeJP NA NA +PJ080478 GPVLLEEY C43H66N8O14 918.4699 NA PeJP NA NA +PJ080479 AKEEMRR C36H66N14O12S 918.4706 NA PeJP NA NA +5443 tryptophan-modified caprine lactoferricin (LFC W8) SKCYQWQWRMRKLGA 918.4707 MH2+ Inhouse_peptide NA peptide +PJ080480 APPLLMMF C44H70N8O9S2 918.4708 NA PeJP NA NA +PJ080481 GTTLRWW C44H62N12O10 918.4712 NA PeJP NA NA +PJ080482 ATLLLEEM C40H70N8O14S 918.4733 NA PeJP NA NA +PJ080483 APLLLMMM C41H74N8O9S3 918.4741 NA PeJP NA NA +PJ080484 GSSSNRRR C33H62N18O13 918.4744 NA PeJP NA NA +PJ080485 GLKEMRW C41H66N12O10S 918.4746 NA PeJP NA NA +PJ080486 TLKWWW C49H62N10O8 918.4752 NA PeJP NA NA +PJ080487 GPVKFWW C49H62N10O8 918.4753 NA PeJP NA NA +PJ080488 TKKEEER C37H66N12O15 918.4771 NA PeJP NA NA +PJ080489 PKKEMMR C38H70N12O10S2 918.478 NA PeJP NA NA +PJ080490 GPDRRRY C38H62N16O11 918.4784 NA PeJP NA NA +PJ080491 GGGAAQFRR C38H62N16O11 918.4785 NA PeJP NA NA +PJ080492 GVLKMWW C46H66N10O8S 918.4786 NA PeJP NA NA +PJ080493 SLKKEEW C42H66N10O13 918.4811 NA PeJP NA NA +PJ080494 ATEMRRR C35H66N16O11S 918.4818 NA PeJP NA NA +PJ080495 PVKKMMW C43H70N10O8S2 918.482 NA PeJP NA NA +MJ097750 Furost-20(22)-ene-2,3,26-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside C45H74O19 918.48243 NA MeJP NA NA +MJ097751 Furost-25-ene-3,22,27-triol, 3-O-[?-D-Glucopyranosyl(1?6)-?-D-glucopyranoside], 27-O-?-D-glucopyranoside C45H74O19 918.48243 NA MeJP NA NA +MJ097752 Furost-5-ene-3,22,26-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H74O19 918.48243 NA MeJP NA NA +MJ097753 Spirostane-2,3,5-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?3)]-?-D-glucopyranoside] C45H74O19 918.48243 NA MeJP NA NA +MJ097754 Spirostane-2,3-diol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C45H74O19 918.48243 NA MeJP NA NA +MJ097755 Spirostane-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C45H74O19 918.48243 NA MeJP NA NA +MJ097756 Spirostane-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-galactopyranoside] C45H74O19 918.48243 NA MeJP NA NA +MJ097757 Spirostane-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C45H74O19 918.48243 NA MeJP NA NA +PJ080496 AAPRRYW C43H62N14O9 918.4825 NA PeJP NA NA +PJ080497 AALKKEEM C39H70N10O13S 918.4845 NA PeJP NA NA +PJ080498 PVLLEYW C47H66N8O11 918.4851 NA PeJP NA NA +PJ080499 GPPLLEFF C47H66N8O11 918.4852 NA PeJP NA NA +PJ080500 GTLMRRW C40H66N14O9S 918.4858 NA PeJP NA NA +PJ080501 PKFRWW C48H62N12O7 918.4865 NA PeJP NA NA +PJ080502 TTKEERR C36H66N14O14 918.4883 NA PeJP NA NA +PJ080503 GGGGGGSSKKK C36H66N14O14 918.4884 NA PeJP NA NA +PJ080504 SPPVLLMY C44H70N8O11S 918.4885 NA PeJP NA NA +PJ080505 PTKMMRR C37H70N14O9S2 918.4892 NA PeJP NA NA +PJ080506 GNNFRRR C37H62N18O10 918.4897 NA PeJP NA NA +PJ080507 LKMRWW C45H66N12O7S 918.4899 NA PeJP NA NA +PJ080508 TTTLLLEE C40H70N8O16 918.491 NA PeJP NA NA +PJ080509 GLLLLEMM C41H74N8O11S2 918.4919 NA PeJP NA NA +PJ080510 STLKERW C41H66N12O12 918.4923 NA PeJP NA NA +PJ080511 TTLDKRW C41H66N12O12 918.4924 NA PeJP NA NA +PJ080512 SCNKRRR C34H66N18O10S 918.493 NA PeJP NA NA +PJ080513 GGSCKRRR C34H66N18O10S 918.4931 NA PeJP NA NA +PJ080514 APPHRRW C42H62N16O8 918.4937 NA PeJP NA NA +PJ080515 VKKEEMR C38H70N12O12S 918.4957 NA PeJP NA NA +PJ080516 SSLLKWW C46H66N10O10 918.4964 NA PeJP NA NA +PJ080517 GPMFRRR C39H66N16O8S 918.4971 NA PeJP NA NA +MJ097758 12-Oleanene-3,16,21,23,28-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 16-benzoyl C49H74O16 918.497686 NA MeJP NA NA +MJ097759 Gymnemic acid A1 C49H74O16 918.497686 NA MeJP NA NA +MJ097760 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Benzoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H74O16 918.497686 NA MeJP NA NA +PJ080518 TTTERRR C35H66N16O13 918.4996 NA PeJP NA NA +PJ080519 TLLQKMW C43H70N10O10S 918.4997 NA PeJP NA NA +PJ080520 VVKKEMW C43H70N10O10S 918.4998 NA PeJP NA NA +PJ080521 PPLLFFW C51H66N8O8 918.5004 NA PeJP NA NA +PJ080522 GTHHRRR C36H62N20O9 918.5009 NA PeJP NA NA +PJ080523 ATTLKKEE C39H70N10O15 918.5022 NA PeJP NA NA +PJ080524 SSLLDKKE C39H70N10O15 918.5023 NA PeJP NA NA +PJ080525 APTLKKMM C40H74N10O10S2 918.5031 NA PeJP NA NA +PJ080526 STTLRRW C40H66N14O11 918.5036 NA PeJP NA NA +PJ080527 PLLLMFW C48H70N8O8S 918.5038 NA PeJP NA NA +PJ080528 KHHRRW C41H62N18O7 918.5049 NA PeJP NA NA +PJ080529 APTLLLEY C44H70N8O13 918.5063 NA PeJP NA NA +PJ080530 SLKEMRR C37H70N14O11S 918.507 NA PeJP NA NA +PJ080531 LLLLMMW C45H74N8O8S2 918.5071 NA PeJP NA NA +PJ080532 GSKKKWW C45H66N12O9 918.5076 NA PeJP NA NA +PJ080533 STLLLLEM C41H74N8O13S 918.5096 NA PeJP NA NA +PJ080534 SVLKMRW C42H70N12O9S 918.511 NA PeJP NA NA +PJ080535 SSSLLKER C38H70N12O14 918.5135 NA PeJP NA NA +PJ080536 LLQKMMR C39H74N12O9S2 918.5144 NA PeJP NA NA +PJ080537 APTRRRY C39H66N16O10 918.5148 NA PeJP NA NA +PJ080538 GTTTLLKW C43H70N10O12 918.5175 NA PeJP NA NA +PJ080539 STLMRRR C36H70N16O10S 918.5182 NA PeJP NA NA +PJ080540 ALKKHHW C44H66N14O8 918.5188 NA PeJP NA NA +MJ097761 Cycloartane-3,6,16,24,25-pentol, 3-O-?-D-Xylopyranoside, 6-O-?-L-arabinopyranoside, 16-O-?-D-glucopyranoside C46H78O18 918.518815 NA MeJP NA NA +MJ097762 Cycloartane-3,6,16,24,25-pentol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-xylopyranoside], 16-O-?-D-glucopyranoside C46H78O18 918.518815 NA MeJP NA NA +MJ097763 Cycloartane-3,6,16,24,25-pentol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-xylopyranoside], 25-O-?-D-glucopyranoside C46H78O18 918.518815 NA MeJP NA NA +MJ097764 Cycloartane-3,6,16,24,25-pentol, 3,24-Di-O-?-D-xylopyranoside, 16-O-?-D-glucopyranoside C46H78O18 918.518815 NA MeJP NA NA +MJ097765 Cycloartane-3,6,16,24,25-pentol, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-xylopyranoside], 6-O-?-D-glucopyranoside C46H78O18 918.518815 NA MeJP NA NA +PJ080541 AALFRRW C44H66N14O8 918.5189 NA PeJP NA NA +PJ080542 GTLLKKEM C40H74N10O12S 918.5209 NA PeJP NA NA +PJ080543 VLLLEFW C48H70N8O10 918.5215 NA PeJP NA NA +PJ080544 ACKKKRW C41H70N14O8S 918.5222 NA PeJP NA NA +HMDB09923 PIP(16:0/18:0) C43H84O16P2 918.523438 NA HMDB2010 NA NA +HMDB09946 PIP(18:0/16:0) C43H84O16P2 918.523438 NA HMDB2010 NA NA +PJ080545 SSSTLLRR C37H70N14O13 918.5247 NA PeJP NA NA +PJ080546 GPLLLLMY C45H74N8O10S 918.5249 NA PeJP NA NA +PJ080547 VVKMMRR C38H74N14O8S2 918.5256 NA PeJP NA NA +PJ080548 EFRRRR C38H66N18O9 918.5261 NA PeJP NA NA +PJ080549 SVLLLLMM C42H78N8O10S2 918.5283 NA PeJP NA NA +PJ080550 SDKKKKW C42H70N12O11 918.5287 NA PeJP NA NA +PJ080551 GGGALLLRY C42H70N12O11 918.5288 NA PeJP NA NA +PJ080552 VFRRRW C43H66N16O7 918.5301 NA PeJP NA NA +PJ080553 GTTLLKMR C39H74N12O11S 918.5321 NA PeJP NA NA +PJ080554 PVVKKYW C47H70N10O9 918.5328 NA PeJP NA NA +MJ097766 Avermectin B1c; 22,23-Dihydro, 23S-hydroxy, O5-Me C50H78O15 918.534071 NA MeJP NA NA +MJ097767 Avermectin B1d; 22,23-Dihydro, 23S-hydroxy C50H78O15 918.534071 NA MeJP NA NA +PJ080555 ASSSKKRR C36H70N16O12 918.5359 NA PeJP NA NA +PJ080556 GSSTKKRR C36H70N16O12 918.536 NA PeJP NA NA +PJ080557 TLLKKMW C44H74N10O9S 918.5361 NA PeJP NA NA +PJ080558 STTLLKKE C40H74N10O14 918.5386 NA PeJP NA NA +PJ080559 GVLLKKMM C41H78N10O9S2 918.5395 NA PeJP NA NA +PJ080560 SSKKKRW C41H70N14O10 918.54 NA PeJP NA NA +PJ080561 GVLLLLEY C45H74N8O12 918.5427 NA PeJP NA NA +PJ080562 TQKKKMR C38H74N14O10S 918.5433 NA PeJP NA NA +PJ080563 GATKKKMR C38H74N14O10S 918.5434 NA PeJP NA NA +PJ080564 GLLKFRW C46H70N12O8 918.544 NA PeJP NA NA +PJ080565 AKKKKMW C43H74N12O8S 918.5474 NA PeJP NA NA +PJ080566 STTTLLKR C39H74N12O13 918.5499 NA PeJP NA NA +PJ080567 LLKKMMR C40H78N12O8S2 918.5507 NA PeJP NA NA +PJ080568 GVLRRRY C40H70N16O9 918.5512 NA PeJP NA NA +PJ080569 LLLLERY C44H74N10O11 918.5539 NA PeJP NA NA +PJ080570 TCKKKRR C37H74N16O9S 918.5546 NA PeJP NA NA +PJ080571 SSLLLKKM C41H78N10O11S 918.5573 NA PeJP NA NA +PJ080572 VLLLLYW C49H74N8O9 918.5579 NA PeJP NA NA +PJ080573 GTTTKKKR C38H74N14O12 918.5611 NA PeJP NA NA +PJ080574 GLLLLLMF C46H78N8O9S 918.5613 NA PeJP NA NA +PJ080575 LRRRRY C39H70N18O8 918.5624 NA PeJP NA NA +PJ080576 PVVHRRR C39H70N18O8 918.5625 NA PeJP NA NA +PJ080577 TTKKKKW C43H74N12O10 918.5651 NA PeJP NA NA +C11986 Megalomicin B C46H82N2O16 918.5664 NA KEGG NA NA +MJ097768 Megalomicin A; 4A-Ac C46H82N2O16 918.566434 NA MeJP NA NA +PJ080578 KKKKKEM C40H78N12O10S 918.5685 NA PeJP NA NA +PJ080579 VVLKKFW C48H74N10O8 918.5691 NA PeJP NA NA +PJ080580 ALLKRRY C42H74N14O9 918.5764 NA PeJP NA NA +PJ080581 ATLLLLLY C46H78N8O11 918.579 NA PeJP NA NA +PJ080582 TKKKKMR C39H78N14O9S 918.5797 NA PeJP NA NA +PJ080583 SSTLKKKK C40H78N12O12 918.5863 NA PeJP NA NA +PJ080584 GKKKFRR C41H74N16O8 918.5876 NA PeJP NA NA +PJ080585 AALLLKKY C45H78N10O10 918.5903 NA PeJP NA NA +PJ080586 VLLKKRY C44H78N12O9 918.6015 NA PeJP NA NA +PJ080587 VVLLLLLH C46H82N10O9 918.6267 NA PeJP NA NA +MJ097769 1,2-Di-O-acylglycerols; Glycerol 2-(9Z-octadecenoate) 1-hexadecanoate, 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] C49H90O15 918.627972 NA MeJP NA NA +PJ080588 LKKKKKF C45H82N12O8 918.6379 NA PeJP NA NA +HMDB05371 TG(16:0/20:0/20:0)[iso3] C59H114O6 918.86151 http://www.hmdb.ca/metabolites/HMDB05371 HMDB NA NA +HMDB05394 TG(18:0/18:0/20:0)[iso3] C59H114O6 918.86151 http://www.hmdb.ca/metabolites/HMDB05394 HMDB NA NA +HMDB05371 TG(16:0/20:0/20:0)[iso3] C59H114O6 918.86151 HMDB05371 PFEM_hmdb_metabocards_official NA NA +HMDB05394 TG(18:0/18:0/20:0)[iso3] C59H114O6 918.86151 HMDB05394 PFEM_hmdb_metabocards_official NA NA +HMDB05371 TG(16:0/20:0/20:0)[iso3] C59H114O6 918.861511 NA HMDB2010 NA NA +HMDB05394 TG(18:0/18:0/20:0)[iso3] C59H114O6 918.861511 NA HMDB2010 NA NA +MetaCyc04312 cis-dihydrodiol derivative of phenylacetyl-CoA [] C29H44N7O19P3S1 919.162552 NA metacyc NA NA +PJ080589 GSCCCCDDD C29H45N9O17S4 919.1817 NA PeJP NA NA +PJ080590 GPCCCCCCE C30H49N9O12S6 919.1825 NA PeJP NA NA +PJ080591 PCCCCCCW C34H49N9O9S6 919.1978 NA PeJP NA NA +C16466 7-Methyl-3-oxo-6-octenoyl-CoA C30H48N7O18P3S 919.1989 NA KEGG NA NA +C16467 cis-Prenyl-tRNA C15H22N5O8P 919.1989 NA KEGG NA NA +PJ080592 CCCCNDEM C30H49N9O14S5 919.2003 NA PeJP NA NA +C11538 Cobalt-sirohydrochlorin C42H44CoN4O16 919.2084 NA KEGG NA NA +MetaCyc04313 cobalt-sirohydrochlorin [cobalt-factor II;] C42H44N4O16COBALT1 919.208432 NA metacyc NA NA +PJ080593 CCCCCDDR C29H49N11O13S5 919.2115 NA PeJP NA NA +PJ080594 GCCCCDMW C34H49N9O11S5 919.2156 NA PeJP NA NA +PJ080595 GSSCCCDDM C30H49N9O16S4 919.2181 NA PeJP NA NA +PJ080596 GPTCCCCCM C31H53N9O11S6 919.2189 NA PeJP NA NA +PJ080597 SSSCCCCNN C29H49N11O15S4 919.2293 NA PeJP NA NA +PJ080598 SSCCCCEW C34H49N9O13S4 919.2333 NA PeJP NA NA +HMDB01291 trans-D-Decenoyl-CoA C31H52N7O17P3S 919.23529 http://www.hmdb.ca/metabolites/HMDB01291 HMDB NA NA +HMDB02137 trans-3-Decenoyl-CoA C31H52N7O17P3S 919.23529 http://www.hmdb.ca/metabolites/HMDB02137 HMDB NA NA +HMDB02145 4-cis-Decenoyl-CoA C31H52N7O17P3S 919.23529 http://www.hmdb.ca/metabolites/HMDB02145 HMDB NA NA +HMDB03948 (2E)-Decenoyl-CoA C31H52N7O17P3S 919.23529 http://www.hmdb.ca/metabolites/HMDB03948 HMDB NA NA +HMDB01291 trans-D-Decenoyl-CoA C31H52N7O17P3S 919.23529 HMDB01291 PFEM_hmdb_metabocards_official NA NA +HMDB02137 trans-3-Decenoyl-CoA C31H52N7O17P3S 919.23529 HMDB02137 PFEM_hmdb_metabocards_official NA NA +HMDB02145 4-cis-Decenoyl-CoA C31H52N7O17P3S 919.23529 HMDB02145 PFEM_hmdb_metabocards_official NA NA +HMDB03948 (2E)-Decenoyl-CoA C31H52N7O17P3S 919.23529 HMDB03948 PFEM_hmdb_metabocards_official NA NA +C05275 trans-Dec-2-enoyl-CoA C31H52N7O17P3S 919.2353 NA KEGG NA NA +C16464 Citronellyl-CoA C31H52N7O17P3S 919.2353 NA KEGG NA NA +MetaCyc04314 trans-Δ2-decenoyl-CoA [trans-Dec-2-enoyl-CoA;] C31H52N7O17P3S1 919.235324 NA metacyc NA NA +HMDB01291 trans-D-Decenoyl-CoA C31H52N7O17P3S 919.235352 NA HMDB2010 NA NA +HMDB02137 trans-3-Decenoyl-CoA C31H52N7O17P3S 919.235352 NA HMDB2010 NA NA +HMDB02145 4-cis-Decenoyl-CoA C31H52N7O17P3S 919.235352 NA HMDB2010 NA NA +HMDB03948 (2E)-Decenoyl-CoA C31H52N7O17P3S 919.235352 NA HMDB2010 NA NA +PJ080599 SSSSCCCDE C30H49N9O18S3 919.2358 NA PeJP NA NA +PJ080600 SCCCNEMM C31H53N9O13S5 919.2367 NA PeJP NA NA +PJ080601 CCCCYYY C39H49N7O11S4 919.2373 NA PeJP NA NA +PJ080602 CCCCNNNF C33H49N11O12S4 919.2445 NA PeJP NA NA +PJ080603 GGGGCCCCNF C33H49N11O12S4 919.2446 NA PeJP NA NA +PJ080604 SCCCCDMR C30H53N11O12S5 919.2479 NA PeJP NA NA +C16294 Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside C42H47O23 919.2508 NA KEGG NA NA +FL7AAAGL0029 Pelargonidin 3-[6-(3-glucosylcaffeyl)glucoside]-5-glucoside C42H47O23 919.25081 154850-21-2 knapsack NA NA +FL7AAAGL0048 Pelargonidin 3-(6''-caffeylsophoroside)-5-glucoside;Pelargonidin 3-O-(6-O-(trans-caffeyl)-2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranoside)-5-O-(beta-D-glucopyranoside) C42H47O23 919.25081 140614-88-6 knapsack NA NA +FL7AACGA0010 Cyanidin 3-[6-(6-ferulylglucosyl)-2-xylosylgalactoside] C42H47O23 919.25081 59942-72-2 knapsack NA NA +FL7AACGL0066 Cyanidin 3-(6''-p-coumarylsophoroside)-5-glucoside C42H47O23 919.25081 119722-80-4<BR>107500-81-2 knapsack NA NA +FL7AACGL0080 Cyanidin 3-(4'''-caffeylrutinoside)-5-glucoside C42H47O23 919.25081 62024-15-1 knapsack NA NA +FL7AACGL0112 Cyanidin 3-O-(6-O-(E)-feruloyl-beta-D-glucopyranosyl)-2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside) C42H47O23 919.25081 - knapsack NA NA +FL7AAGGA0008 Delphinidin 3-robinobioside-5-(6-(E)-p-coumarylglucoside) C42H47O23 919.25081 151676-98-1 knapsack NA NA +FL7AAGGL0028 Violanin;Delphinidin 3-[6-(4-(E)-p-coumarylrhamnosyl)glucoside]-5-glucoside C42H47O23 919.25081 28463-30-1<BR>108266-61-1 knapsack NA NA +FL7AAGGL0050 Delphinidin 3-[6-(4-(Z)-p-coumarylrhamnosyl)glucoside]-5-glucoside C42H47O23 919.25081 207514-92-9 knapsack NA NA +FL7AAGGL0062 Delphinidin 3-rutinoside-5-(6-(Z)-p-coumaroylglucoside) C42H47O23 919.25081 178737-75-2 knapsack NA NA +PJ080605 GCCNDDMY C34H49N9O15S3 919.2511 NA PeJP NA NA +PJ080606 GSCCCMMW C35H53N9O10S5 919.2519 NA PeJP NA NA +PJ080607 GSSSCCDMM C31H53N9O15S4 919.2544 NA PeJP NA NA +PJ080608 GCCNMMMM C32H57N9O10S6 919.2553 NA PeJP NA NA +PJ080609 SCCCCQHH C32H49N13O11S4 919.2558 NA PeJP NA NA +PJ080610 SCNDDDDH C32H45N11O19S 919.2614 NA PeJP NA NA +PJ080611 SCCCNNNY C33H49N11O14S3 919.2623 NA PeJP NA NA +PJ080612 CCCNEYW C38H49N9O12S3 919.2663 NA PeJP NA NA +PJ080613 ACCCCMMR C31H57N11O9S6 919.2665 NA PeJP NA NA +PJ080614 PNDDDDDD C33H45N9O22 919.268 NA PeJP NA NA +PJ080615 SSCCNDEY C34H49N9O17S2 919.2688 NA PeJP NA NA +PJ080616 SSTCCCMW C35H53N9O12S4 919.2697 NA PeJP NA NA +FL7AACGL0021 Cyaniden 3-rutinoside-5,3'-diglucoside C39H51O25 919.27194 - knapsack NA NA +PJ080617 DDDDDYY C38H45N7O20 919.272 NA PeJP NA NA +PJ080618 SSSSSCCEM C31H53N9O17S3 919.2722 NA PeJP NA NA +PJ080619 SSCCQMMM C32H57N9O12S5 919.2731 NA PeJP NA NA +PJ080620 GSSSCCCHH C32H49N13O13S3 919.2735 NA PeJP NA NA +PJ080621 DDDMMMY C36H53N7O15S3 919.2762 NA PeJP NA NA +PJ080622 GPCCCDHW C37H49N11O11S3 919.2776 NA PeJP NA NA +PJ080623 GCNDDEMH C33H49N11O16S2 919.2801 NA PeJP NA NA +PJ080624 DMMMMMM C34H61N7O10S6 919.2805 NA PeJP NA NA +PJ080625 GCCCCEFR C34H53N11O11S4 919.2809 NA PeJP NA NA +PJ080626 GCCCYWW C42H49N9O9S3 919.2816 NA PeJP NA NA +PJ080627 GSSCCDYW C38H49N9O14S2 919.2841 NA PeJP NA NA +PJ080628 SSCCCMMR C31H57N11O11S5 919.2843 NA PeJP NA NA +PJ080629 CCCQMFW C39H53N9O9S4 919.2849 NA PeJP NA NA +PJ080630 GACCCMFW C39H53N9O9S4 919.285 NA PeJP NA NA +PJ080631 GSSSSCDDY C34H49N9O19S 919.2866 NA PeJP NA NA +PJ080632 GSCNDMMY C35H53N9O14S3 919.2874 NA PeJP NA NA +PJ080633 GGGSCDMMY C35H53N9O14S3 919.2875 NA PeJP NA NA +PJ080634 GCCCNHHF C36H49N13O10S3 919.2888 NA PeJP NA NA +PJ080635 DDDDMFY C39H49N7O17S 919.2906 NA PeJP NA NA +PJ080636 GSSSSCMMM C32H57N9O14S4 919.2908 NA PeJP NA NA +PJ080637 GCCDDDHR C32H49N13O15S2 919.2913 NA PeJP NA NA +PJ080638 ACCCKMMM C33H61N9O9S6 919.2917 NA PeJP NA NA +PJ080639 SCCCCKHH C33H53N13O10S4 919.2922 NA PeJP NA NA +PJ080640 DDMMMMF C37H57N7O12S4 919.2948 NA PeJP NA NA +PJ080641 CNDDMHW C37H49N11O13S2 919.2953 NA PeJP NA NA +PJ080642 CCCCFRW C38H53N11O8S4 919.2962 NA PeJP NA NA +PJ080643 SSNDDDMH C33H49N11O18S 919.2978 NA PeJP NA NA +PJ080644 GSCCCERY C34H53N11O13S3 919.2987 NA PeJP NA NA +PJ080645 CMMMMHH C35H57N11O8S5 919.2996 NA PeJP NA NA +PJ080646 CNNDEYY C38H49N9O16S 919.3018 NA PeJP NA NA +PJ080647 SCCQMYW C39H53N9O11S3 919.3027 NA PeJP NA NA +PJ080648 SPNDDDEE C34H49N9O21 919.3043 NA PeJP NA NA +PJ080649 GGPTDDDDE C34H49N9O21 919.3044 NA PeJP NA NA +PJ080650 SSSCNEMY C35H53N9O16S2 919.3052 NA PeJP NA NA +PJ080651 CNQMMMY C36H57N9O11S4 919.3061 NA PeJP NA NA +PJ080652 GSCCNNHW C36H49N13O12S2 919.3065 NA PeJP NA NA +PJ080653 GGGSCCNHW C36H49N13O12S2 919.3066 NA PeJP NA NA +PJ080654 SDDEEYY C39H49N7O19 919.3083 NA PeJP NA NA +PJ080655 TDDDEYY C39H49N7O19 919.3084 NA PeJP NA NA +PJ080656 SSSSSTCMM C32H57N9O16S3 919.3086 NA PeJP NA NA +PJ080657 GSSSCNNDH C32H49N13O17S 919.309 NA PeJP NA NA +PJ080658 GGGSSSCNDH C32H49N13O17S 919.3091 NA PeJP NA NA +PJ080659 PCDEMYY C40H53N7O14S2 919.3092 NA PeJP NA NA +PJ080660 SSCCKMMM C33H61N9O11S5 919.3094 NA PeJP NA NA +PJ080661 SPCCCDHR C33H53N13O12S3 919.3099 NA PeJP NA NA +PJ080662 GCCEHWW C41H49N11O10S2 919.3106 NA PeJP NA NA +PJ080663 SEEMMMY C37H57N7O14S3 919.3126 NA PeJP NA NA +PJ080664 GSSCDEHW C37H49N11O15S 919.3131 NA PeJP NA NA +PJ080665 SCCCRYW C38H53N11O10S3 919.3139 NA PeJP NA NA +PJ080666 GGPPCCCHF C38H53N11O10S3 919.314 NA PeJP NA NA +PJ080667 GSSSSDDEH C33H49N11O20 919.3156 NA PeJP NA NA +PJ080668 SSSCCDRY C34H53N11O15S2 919.3164 NA PeJP NA NA +PJ080669 PPCCDDDR C34H53N11O15S2 919.3165 NA PeJP NA NA +PJ080670 GCNDYYW C42H49N9O13S 919.3171 NA PeJP NA NA +PJ080671 CCNMMRY C35H57N11O10S4 919.3173 NA PeJP NA NA +PJ080672 GSPDDDEW C38H49N9O18 919.3196 NA PeJP NA NA +PJ080673 CNNNNNNN C31H49N15O16S 919.3203 NA PeJP NA NA +PJ080674 GSSSCMYW C39H53N9O13S2 919.3205 NA PeJP NA NA +PJ080675 GCCCNQHR C32H53N15O11S3 919.3212 NA PeJP NA NA +PJ080676 CCCKMFW C40H57N9O8S4 919.3213 NA PeJP NA NA +PJ080677 ASSSSSCEY C35H53N9O18S 919.3229 NA PeJP NA NA +PJ080678 GSSSSSDMY C35H53N9O18S 919.323 NA PeJP NA NA +PJ080679 DDDDFFF C43H49N7O16 919.3236 NA PeJP NA NA +PJ080680 GSSNMMMY C36H57N9O13S3 919.3238 NA PeJP NA NA +PJ080681 GCNNNDHF C36H49N13O14S 919.3243 NA PeJP NA NA +PJ080682 CCHWWW C45H49N11O7S2 919.3258 NA PeJP NA NA +PJ080683 GNNDDDDR C32H49N13O19 919.3268 NA PeJP NA NA +PJ080684 GEEEMYY C40H53N7O16S 919.327 NA PeJP NA NA +PJ080685 GSCDDMHR C33H53N13O14S2 919.3277 NA PeJP NA NA +PJ080686 PCEMMFY C41H57N7O11S3 919.3278 NA PeJP NA NA +PJ080687 SSCDHWW C41H49N11O12S 919.3283 NA PeJP NA NA +PJ080688 APCCCMHR C34H57N13O9S4 919.3286 NA PeJP NA NA +PJ080689 SSSSDDHW C37H49N11O17 919.3308 NA PeJP NA NA +PJ080690 GGGGGGDEEW C37H49N11O17 919.3309 NA PeJP NA NA +PJ080691 VDMMMMY C38H61N7O11S4 919.3312 NA PeJP NA NA +PJ080692 SNDMMHW C38H53N11O12S2 919.3317 NA PeJP NA NA +PJ080693 CCHHHHF C39H49N15O8S2 919.333 NA PeJP NA NA +PJ080694 GPDDDDMR C34H53N11O17S 919.3342 NA PeJP NA NA +PJ080695 SPDDDWW C42H49N9O15 919.3348 NA PeJP NA NA +PJ080696 GSTCCMRY C35H57N11O12S3 919.3351 NA PeJP NA NA +PJ080697 GSCNEHHH C35H49N15O13S 919.3355 NA PeJP NA NA +PJ080698 GGGSCEHHH C35H49N15O13S 919.3356 NA PeJP NA NA +PJ080699 PPCCEWW C43H53N9O10S2 919.3357 NA PeJP NA NA +MJ097770 Amanitin; ?-Amanitin C39H53N9O15S 919.338182 NA MeJP NA NA +PJ080700 SSSSTCYW C39H53N9O15S 919.3382 NA PeJP NA NA +PJ080701 SSCCNNHR C32H53N15O13S2 919.3389 NA PeJP NA NA +PJ080702 SCCKMYW C40H57N9O10S3 919.3391 NA PeJP NA NA +PJ080703 SSSSSSSEY C35H53N9O20 919.3407 NA PeJP NA NA +PJ080704 SSSSQMMY C36H57N9O15S2 919.3416 NA PeJP NA NA +PJ080705 GSNNNNDW C36H49N13O16 919.3421 NA PeJP NA NA +PJ080706 EEMYYW C44H53N7O13S 919.3422 NA PeJP NA NA +PJ080707 CNKMMMY C37H61N9O10S4 919.3424 NA PeJP NA NA +PJ080708 GGCKMMMY C37H61N9O10S4 919.3425 NA PeJP NA NA +PJ080709 SCCEHRW C37H53N13O11S2 919.3429 NA PeJP NA NA +PJ080710 STEEEYY C40H53N7O18 919.3447 NA PeJP NA NA +PJ080711 SSSCDEHR C33H53N13O16S 919.3454 NA PeJP NA NA +PJ080712 GGGGSPCDDR C33H53N13O16S 919.3455 NA PeJP NA NA +PJ080713 SPEMMYY C41H57N7O13S2 919.3456 NA PeJP NA NA +PJ080714 GNNDEWW C41H49N11O14 919.3461 NA PeJP NA NA +PJ080715 CNEMMHR C34H57N13O11S3 919.3463 NA PeJP NA NA +PJ080716 ASCMHWW C42H53N11O9S2 919.3469 NA PeJP NA NA +PJ080717 GTCMHWW C42H53N11O9S2 919.347 NA PeJP NA NA +PJ080718 SCNDRYY C38H53N11O14S 919.3494 NA PeJP NA NA +PJ080719 PCDDERW C38H53N11O14S 919.3495 NA PeJP NA NA +PJ080720 VMMMMMF C39H65N7O8S5 919.3499 NA PeJP NA NA +PJ080721 GQMMMHW C39H57N11O9S3 919.3503 NA PeJP NA NA +PJ080722 SCNHHHW C39H49N15O10S 919.3508 NA PeJP NA NA +PJ080723 ASSSSSEEH C34H53N11O19 919.3519 NA PeJP NA NA +PJ080724 NDEEEER C34H53N11O19 919.352 NA PeJP NA NA +PJ080725 SSSSCMRY C35H57N11O14S2 919.3528 NA PeJP NA NA +PJ080726 GGGGGGAPEMM C35H57N11O14S2 919.3529 NA PeJP NA NA +PJ080727 SSSNDHHH C35H49N15O15 919.3533 NA PeJP NA NA +PJ080728 GPDEMWW C43H53N9O12S 919.3535 NA PeJP NA NA +PJ080729 APCCKMMH C36H61N11O9S4 919.3537 NA PeJP NA NA +PJ080730 NNMMHHH C36H53N15O10S2 919.3542 NA PeJP NA NA +PJ080731 AQEEEEW C39H53N9O17 919.356 NA PeJP NA NA +PJ080732 GCNNNNER C32H53N15O15S 919.3567 NA PeJP NA NA +PJ080733 SPPVCCEW C40H57N9O12S2 919.3568 NA PeJP NA NA +PJ080734 GSPPDMMW C40H57N9O12S2 919.3569 NA PeJP NA NA +PJ080735 PNDDHHW C40H49N13O13 919.3573 NA PeJP NA NA +PJ080736 CCDMHRR C33H57N15O10S3 919.3575 NA PeJP NA NA +PJ080737 GGGCCCKHR C33H57N15O10S3 919.3576 NA PeJP NA NA +PJ080738 GSSSSTTMY C36H57N9O17S 919.3593 NA PeJP NA NA +PJ080739 GPTQEEEM C36H57N9O17S 919.3594 NA PeJP NA NA +PJ080740 GPEEYYY C44H53N7O15 919.36 NA PeJP NA NA +PJ080741 GSTCKMMY C37H61N9O12S3 919.3602 NA PeJP NA NA +PJ080742 NNNNQMW C37H53N13O13S 919.3607 NA PeJP NA NA +PJ080743 PPCMFYY C45H57N7O10S2 919.3609 NA PeJP NA NA +PJ080744 NNDWWW C45H49N11O11 919.3613 NA PeJP NA NA +PJ080745 GGGGDWWW C45H49N11O11 919.3614 NA PeJP NA NA +PJ080746 GCMMHRW C38H57N13O8S3 919.3616 NA PeJP NA NA +PJ080747 DDDDERR C33H53N13O18 919.3632 NA PeJP NA NA +PJ080748 SVEEMYY C41H57N7O15S 919.3634 NA PeJP NA NA +PJ080749 GSSDMMHR C34H57N13O13S2 919.3641 NA PeJP NA NA +PJ080750 PCLMMYY C42H61N7O10S3 919.3642 NA PeJP NA NA +PJ080751 GNNNNNHH C34H49N17O14 919.3645 NA PeJP NA NA +PJ080752 GGGGGGGNNHH C34H49N17O14 919.3646 NA PeJP NA NA +PJ080753 SSSMHWW C42H53N11O11S 919.3647 NA PeJP NA NA +PJ080754 CCQHHHR C35H53N17O9S2 919.3654 NA PeJP NA NA +PJ080755 GDEEERW C38H53N11O16 919.3672 NA PeJP NA NA +PJ080756 TLMMMMY C39H65N7O10S4 919.3676 NA PeJP NA NA +PJ080757 STQMMHW C39H57N11O11S2 919.3681 NA PeJP NA NA +PJ080758 NNDHHHF C39H49N15O12 919.3686 NA PeJP NA NA +PJ080759 PDMWWW C47H53N9O9S 919.3687 NA PeJP NA NA +PJ080760 GSPDEEMR C35H57N11O16S 919.3706 NA PeJP NA NA +PJ080761 AAEEEWW C43H53N9O14 919.3712 NA PeJP NA NA +PJ080762 NKEMMMH C36H61N11O11S3 919.3714 NA PeJP NA NA +PJ080763 GPPCEMMR C36H61N11O11S3 919.3715 NA PeJP NA NA +PJ080764 CNNNNRW C36H53N15O12S 919.3719 NA PeJP NA NA +PJ080765 GGGGGGGGCRW C36H53N15O12S 919.372 NA PeJP NA NA +PJ080766 PPTCMWW C44H57N9O9S2 919.3721 NA PeJP NA NA +PJ080767 SSNNNNDR C32H53N15O17 919.3744 NA PeJP NA NA +PJ080768 GGGGGGGGSSDR C32H53N15O17 919.3745 NA PeJP NA NA +PJ080769 PTQEEMW C40H57N9O14S 919.3746 NA PeJP NA NA +PJ080770 PEYYYW C48H53N7O12 919.3752 NA PeJP NA NA +PJ080771 EEFFYW C48H53N7O12 919.3753 NA PeJP NA NA +PJ080772 PPQMMMW C41H61N9O9S3 919.3755 NA PeJP NA NA +PJ080773 GCDHFRW C41H53N13O10S 919.3759 NA PeJP NA NA +PJ080774 GSPPCHHW C41H53N13O10S 919.376 NA PeJP NA NA +PJ080775 SSSSSTTTY C36H57N9O19 919.3771 NA PeJP NA NA +PJ080776 SSSSKMMY C37H61N9O14S2 919.378 NA PeJP NA NA +PJ080777 SNNDERW C37H53N13O15 919.3784 NA PeJP NA NA +PJ080778 GGSNDERW C37H53N13O15 919.3785 NA PeJP NA NA +PJ080779 SPPMYYY C45H57N7O12S 919.3786 NA PeJP NA NA +PJ080780 STCMHRW C38H57N13O10S2 919.3793 NA PeJP NA NA +PJ080781 SEHHHHH C38H49N17O11 919.3798 NA PeJP NA NA +PJ080782 NMHFWW C46H53N11O8S 919.38 NA PeJP NA NA +PJ080783 SSSSEMHR C34H57N13O15S 919.3818 NA PeJP NA NA +PJ080784 GGGGGGGGGKEM C34H57N13O15S 919.3819 NA PeJP NA NA +PJ080785 ALEMMYY C42H61N7O12S2 919.382 NA PeJP NA NA +PJ080786 DEERWW C42H53N11O13 919.3825 NA PeJP NA NA +PJ080787 SQMMMHR C35H61N13O10S3 919.3827 NA PeJP NA NA +PJ080788 GSSCHHHR C35H53N17O11S 919.3832 NA PeJP NA NA +PJ080789 PCCKHFW C43H57N11O8S2 919.3833 NA PeJP NA NA +PJ080790 SPDEMRW C39H57N11O13S 919.3858 NA PeJP NA NA +PJ080791 GGGGVQEMW C39H57N11O13S 919.3859 NA PeJP NA NA +PJ080792 VDEWWW C47H53N9O11 919.3865 NA PeJP NA NA +PJ080793 PPCMMRW C40H61N11O8S3 919.3867 NA PeJP NA NA +PJ080794 TQEEEER C35H57N11O18 919.3883 NA PeJP NA NA +PJ080795 GATEEEER C35H57N11O18 919.3884 NA PeJP NA NA +PJ080796 PQEEMMR C36H61N11O13S2 919.3892 NA PeJP NA NA +PJ080797 GSPDDHHR C36H53N15O14 919.3897 NA PeJP NA NA +PJ080798 APTEMWW C44H57N9O11S 919.3899 NA PeJP NA NA +PJ080799 APPCCHHR C37H57N15O9S2 919.3906 NA PeJP NA NA +PJ080800 GSTTTQYY C40H57N9O16 919.3923 NA PeJP NA NA +PJ080801 AKEEEEW C40H57N9O16 919.3924 NA PeJP NA NA +PJ080802 NNDDMRR C33H57N15O14S 919.393 NA PeJP NA NA +PJ080803 GGNDDMRR C33H57N15O14S 919.3931 NA PeJP NA NA +PJ080804 PVQEMMW C41H61N9O11S2 919.3932 NA PeJP NA NA +PJ080805 GSNDRWW C41H53N13O12 919.3937 NA PeJP NA NA +PJ080806 PPCFFFY C49H57N7O9S 919.3939 NA PeJP NA NA +PJ080807 GPTKEEEM C37H61N9O16S 919.3957 NA PeJP NA NA +PJ080808 GGGVLEEEM C37H61N9O16S 919.3958 NA PeJP NA NA +PJ080809 SPVEYYY C45H57N7O14 919.3964 NA PeJP NA NA +PJ080810 GPPKEMMM C38H65N9O11S3 919.3966 NA PeJP NA NA +PJ080811 GNQEMRW C38H57N13O12S 919.3971 NA PeJP NA NA +PJ080812 PCLMFFY C46H61N7O9S2 919.3973 NA PeJP NA NA +PJ080813 SQQWWW C46H53N11O10 919.3977 NA PeJP NA NA +PJ080814 CLHHHHH C39H53N17O8S 919.3984 NA PeJP NA NA +PJ080815 SDEEERR C34H57N13O17 919.3996 NA PeJP NA NA +PJ080816 TTLEMYY C42H61N7O14S 919.3997 NA PeJP NA NA +PJ080817 GSTTMMHR C35H61N13O12S2 919.4004 NA PeJP NA NA +PJ080818 PDDMMRR C35H61N13O12S2 919.4005 NA PeJP NA NA +PJ080819 VVMMMFY C43H65N7O9S3 919.4006 NA PeJP NA NA +PJ080820 NNNEHHR C35H53N17O13 919.4009 NA PeJP NA NA +PJ080821 AAQQMWW C43H57N11O10S 919.4011 NA PeJP NA NA +PJ080822 CCKHHHR C36H57N17O8S2 919.4018 NA PeJP NA NA +PJ080823 ATEEERW C39H57N11O15 919.4036 NA PeJP NA NA +PJ080824 GSCNNNRR C32H57N17O13S 919.4043 NA PeJP NA NA +PJ080825 APEMMRW C40H61N11O10S2 919.4045 NA PeJP NA NA +PJ080826 GQQQHHW C40H53N15O11 919.4049 NA PeJP NA NA +PJ080827 GGGAAQHHW C40H53N15O11 919.405 NA PeJP NA NA +PJ080828 GPPMFWW C48H57N9O8S 919.4051 NA PeJP NA NA +PJ080829 VQEEEMR C36H61N11O15S 919.407 NA PeJP NA NA +PJ080830 GTLEEWW C44H57N9O13 919.4076 NA PeJP NA NA +PJ080831 GPPTMMMR C37H65N11O10S3 919.4078 NA PeJP NA NA +PJ080832 GGPPCCKKM C37H65N11O10S3 919.4079 NA PeJP NA NA +PJ080833 GCNERRW C37H57N15O11S 919.4083 NA PeJP NA NA +PJ080834 GPLMMWW C45H61N9O8S2 919.4085 NA PeJP NA NA +PJ080835 GPTHHWW C45H53N13O9 919.409 NA PeJP NA NA +PJ080836 GSSNDERR C33H57N15O16 919.4108 NA PeJP NA NA +PJ080837 PTKEEMW C41H61N9O13S 919.411 NA PeJP NA NA +PJ080838 LEFYYW C49H57N7O11 919.4116 NA PeJP NA NA +PJ080839 GSPCNMRR C34H61N15O11S2 919.4117 NA PeJP NA NA +PJ080840 PPKMMMW C42H65N9O8S3 919.4119 NA PeJP NA NA +PJ080841 NQMRWW C42H57N13O9S 919.4123 NA PeJP NA NA +PJ080842 HHFFFW C50H53N11O7 919.413 NA PeJP NA NA +PJ080843 KKEEEEE C37H61N9O18 919.4135 NA PeJP NA NA +PJ080844 GPVKEEMM C38H65N9O13S2 919.4144 NA PeJP NA NA +PJ080845 SSQQERW C38H57N13O14 919.4148 NA PeJP NA NA +PJ080846 GGGGGGASSKW C38H57N13O14 919.4149 NA PeJP NA NA +PJ080847 APLMYYY C46H61N7O11S 919.415 NA PeJP NA NA +PJ080848 PCCQKRW C39H61N13O9S2 919.4157 NA PeJP NA NA +PJ080849 GNNHHRW C39H53N17O10 919.4162 NA PeJP NA NA +PJ080850 AEEEMRR C35H61N13O14S 919.4182 NA PeJP NA NA +PJ080851 SLLMMYY C43H65N7O11S2 919.4184 NA PeJP NA NA +PJ080852 ASNKEWW C43H57N11O12 919.4188 NA PeJP NA NA +PJ080853 GSQKEWW C43H57N11O12 919.4189 NA PeJP NA NA +PJ080854 SKMMMHR C36H65N13O9S3 919.4191 NA PeJP NA NA +PJ080855 PCDHHRR C36H57N17O10S 919.4196 NA PeJP NA NA +PJ080856 GLEEMRW C40H61N11O12S 919.4222 NA PeJP NA NA +PJ080857 GGGGGGAPLMF C40H61N11O12S 919.4223 NA PeJP NA NA +PJ080858 TLEWWW C48H57N9O10 919.4229 NA PeJP NA NA +PJ080859 CNRRWW C41H57N15O8S 919.4236 NA PeJP NA NA +PJ080860 TKEEEER C36H61N11O17 919.4247 NA PeJP NA NA +PJ080861 PKEEMMR C37H65N11O12S2 919.4256 NA PeJP NA NA +PJ080862 SSNDRRW C37H57N15O13 919.4261 NA PeJP NA NA +PJ080863 AVVEMWW C45H61N9O10S 919.4262 NA PeJP NA NA +PJ080864 GVLEMWW C45H61N9O10S 919.4263 NA PeJP NA NA +PJ080865 ACMHFRR C38H61N15O8S2 919.4269 NA PeJP NA NA +PJ080866 SLKEEEW C41H61N9O15 919.4287 NA PeJP NA NA +PJ080867 TLDKEEW C41H61N9O15 919.4288 NA PeJP NA NA +PJ080868 SNQEMRR C34H61N15O13S 919.4294 NA PeJP NA NA +PJ080869 GGGGTEMRR C34H61N15O13S 919.4295 NA PeJP NA NA +PJ080870 PVKEMMW C42H65N9O10S2 919.4296 NA PeJP NA NA +PJ080871 GSTQRWW C42H57N13O11 919.4301 NA PeJP NA NA +PJ080872 PCLFFFF C50H61N7O8S 919.4303 NA PeJP NA NA +PJ080873 AALKEEEM C38H65N9O15S 919.4321 NA PeJP NA NA +PJ080874 GLLEYYY C46H61N7O13 919.4328 NA PeJP NA NA +PJ080875 SPPVKMMM C39H69N9O10S3 919.433 NA PeJP NA NA +PJ080876 ATQQMRW C39H61N13O11S 919.4334 NA PeJP NA NA +PJ080877 GNKEMRW C39H61N13O11S 919.4335 NA PeJP NA NA +PJ080878 VVMMFFF C47H65N7O8S2 919.4336 NA PeJP NA NA +PJ080879 SQKWWW C47H57N11O9 919.4341 NA PeJP NA NA +PJ080880 SSSLNQER C35H61N13O16 919.4359 NA PeJP NA NA +PJ080881 TTEEERR C35H61N13O16 919.436 NA PeJP NA NA +PJ080882 PTEMMRR C36H65N13O11S2 919.4368 NA PeJP NA NA +PJ080883 GGGGAALMMR C36H65N13O11S2 919.4369 NA PeJP NA NA +PJ080884 GEEHHRR C36H57N17O12 919.4373 NA PeJP NA NA +PJ080885 LEMRWW C44H61N11O9S 919.4375 NA PeJP NA NA +PJ080886 PVFWWW C52H57N9O7 919.4381 NA PeJP NA NA +PJ080887 STLEERW C40H61N11O14 919.44 NA PeJP NA NA +3589 heparin-binding peptide FACRRWQWRMAALGA 919.4402 MH2+ Inhouse_peptide NA peptide +PJ080888 SCNERRR C33H61N17O12S 919.4407 NA PeJP NA NA +PJ080889 SPLMMRW C41H65N11O9S2 919.4409 NA PeJP NA NA +PJ080890 GVEHHRW C41H57N15O10 919.4413 NA PeJP NA NA +PJ080891 VLMWWW C49H61N9O7S 919.4415 NA PeJP NA NA +PJ080892 PTTTCLER C37H65N11O14S 919.4433 NA PeJP NA NA +PJ080893 VKEEEMR C37H65N11O14S 919.4434 NA PeJP NA NA +PJ080894 SSLLEWW C45H61N9O12 919.444 NA PeJP NA NA +PJ080895 AAPLMMMR C38H69N11O9S3 919.4442 NA PeJP NA NA +PJ080896 GSQMRRW C38H61N15O10S 919.4447 NA PeJP NA NA +PJ080897 AALHHWW C46H57N13O8 919.4453 NA PeJP NA NA +PJ080898 GVVHHWW C46H57N13O8 919.4454 NA PeJP NA NA +PJ080899 GSSTQERR C34H61N15O15 919.4472 NA PeJP NA NA +PJ080900 VVKEEMW C42H65N9O12S 919.4474 NA PeJP NA NA +PJ080901 LLYYYW C50H61N7O10 919.448 NA PeJP NA NA +PJ080902 AQQMMRR C35H65N15O10S2 919.4481 NA PeJP NA NA +PJ080903 SNNHHRR C35H57N19O11 919.4485 NA PeJP NA NA +PJ080904 GGGGSHHRR C35H57N19O11 919.4486 NA PeJP NA NA +PJ080905 NKMRWW C43H61N13O8S 919.4487 NA PeJP NA NA +PJ080906 ATTLKEEE C38H65N9O17 919.4499 NA PeJP NA NA +PJ080907 APTLKEMM C39H69N9O12S2 919.4507 NA PeJP NA NA +PJ080908 SPVVKEMM C39H69N9O12S2 919.4508 NA PeJP NA NA +PJ080909 SSQKERW C39H61N13O13 919.4512 NA PeJP NA NA +PJ080910 GGGGGGGGGLKF C39H61N13O13 919.4513 NA PeJP NA NA +PJ080911 ALLMFYY C47H65N7O10S 919.4514 NA PeJP NA NA +PJ080912 PCCKKRW C40H65N13O8S2 919.4521 NA PeJP NA NA +PJ080913 EHHRRW C40H57N17O9 919.4526 NA PeJP NA NA +PJ080914 SLEEMRR C36H65N13O13S 919.4546 NA PeJP NA NA +PJ080915 GSKKEWW C44H61N11O11 919.4552 NA PeJP NA NA +PJ080916 GGGGPVKYW C44H61N11O11 919.4553 NA PeJP NA NA +PJ080917 PVMMMRR C37H69N13O8S3 919.4555 NA PeJP NA NA +PJ080918 GSCRRRW C37H61N17O9S 919.4559 NA PeJP NA NA +PJ080919 VHHRWW C45H57N15O7 919.4566 NA PeJP NA NA +PJ080920 GSSSDRRR C33H61N17O14 919.4584 NA PeJP NA NA +PJ080921 SVLEMRW C41H65N11O11S 919.4586 NA PeJP NA NA +PJ080922 GPVLYWW C49H61N9O9 919.4593 NA PeJP NA NA +PJ080923 SSSLLEER C37H65N11O16 919.4611 NA PeJP NA NA +PJ080924 LLQEMMR C38H69N11O11S2 919.462 NA PeJP NA NA +PJ080925 SSTQRRW C38H61N15O12 919.4624 NA PeJP NA NA +PJ080926 GGSTTRRW C38H61N15O12 919.4625 NA PeJP NA NA +PJ080927 ATLLMWW C46H65N9O9S 919.4626 NA PeJP NA NA +PJ080928 GTTTLLEW C42H65N9O14 919.4651 NA PeJP NA NA +PJ080929 GGGVLLEEF C42H65N9O14 919.4652 NA PeJP NA NA +PJ080930 SNKEMRR C35H65N15O12S 919.4658 NA PeJP NA NA +PJ080931 VLLQMMW C43H69N9O9S2 919.466 NA PeJP NA NA +PJ080932 GSTKRWW C43H61N13O10 919.4665 NA PeJP NA NA +PJ080933 GTLLKEEM C39H69N9O14S 919.4685 NA PeJP NA NA +PJ080934 SVLLYYY C47H65N7O12 919.4691 NA PeJP NA NA +PJ080935 GPLLKMMM C40H73N9O9S3 919.4694 NA PeJP NA NA +PJ080936 ATQKMRW C40H65N13O10S 919.4698 NA PeJP NA NA +PJ080937 GDKKMRW C40H65N13O10S 919.4699 NA PeJP NA NA +PJ080938 SKKWWW C48H61N11O8 919.4705 NA PeJP NA NA +PJ080939 ASSDKKER C36H65N13O15 919.4723 NA PeJP NA NA +PJ080940 GSSKKEER C36H65N13O15 919.4724 NA PeJP NA NA +PJ080941 VVEMMRR C37H69N13O10S2 919.4732 NA PeJP NA NA +PJ080942 GNDFRRR C37H61N17O11 919.4737 NA PeJP NA NA +PJ080943 AAKKMWW C45H65N11O8S 919.4739 NA PeJP NA NA +PJ080944 SDKKKEW C41H65N11O13 919.4764 NA PeJP NA NA +PJ080945 SSQMRRR C34H65N17O11S 919.4771 NA PeJP NA NA +PJ080946 ALLMMRW C42H69N11O8S2 919.4772 NA PeJP NA NA +PJ080947 QQFRRW C42H61N15O9 919.4777 NA PeJP NA NA +PJ080948 GTTLLEMR C38H69N11O13S 919.4797 NA PeJP NA NA +PJ080949 GAKKKEEM C38H69N11O13S 919.4798 NA PeJP NA NA +PJ080950 TTTLLWW C46H65N9O11 919.4804 NA PeJP NA NA +PJ080951 GSKMRRW C39H65N15O9S 919.4811 NA PeJP NA NA +PJ080952 KHFFRW C47H61N13O7 919.4817 NA PeJP NA NA +PJ080953 GSSTKERR C35H65N15O14 919.4836 NA PeJP NA NA +PJ080954 TLLKEMW C43H69N9O11S 919.4838 NA PeJP NA NA +PJ080955 ALLFFFY C51H65N7O9 919.4844 NA PeJP NA NA +PJ080956 GAAKMMRR C36H69N15O9S2 919.4845 NA PeJP NA NA +PJ080957 STTLLKEE C39H69N9O16 919.4863 NA PeJP NA NA +PJ080958 GVLLKEMM C40H73N9O11S2 919.4871 NA PeJP NA NA +PJ080959 SSKKERW C40H65N13O12 919.4876 NA PeJP NA NA +PJ080960 SSCRRRR C33H65N19O10S 919.4883 NA PeJP NA NA +PJ080961 APHHFRR C41H61N17O8 919.4889 NA PeJP NA NA +PJ080962 PKKHHHH C41H61N17O8 919.489 NA PeJP NA NA +PJ080963 TQKKEMR C37H69N13O12S 919.491 NA PeJP NA NA +PJ080964 ATTKKWW C45H65N11O10 919.4916 NA PeJP NA NA +PJ080965 ALMHHRR C38H65N17O8S 919.4923 NA PeJP NA NA +PJ080966 GSSTTRRR C34H65N17O13 919.4948 NA PeJP NA NA +PJ080967 TTLLMRW C42H69N11O10S 919.495 NA PeJP NA NA +PJ080968 GVLLFWW C50H65N9O8 919.4957 NA PeJP NA NA +PJ080969 STTTLLER C38H69N11O15 919.4975 NA PeJP NA NA +PJ080970 LLKEMMR C39H73N11O10S2 919.4984 NA PeJP NA NA +PJ080971 SSTKRRW C39H65N15O11 919.4988 NA PeJP NA NA +PJ080972 GGGAALRRY C39H65N15O11 919.4989 NA PeJP NA NA +PJ080973 PVLKMFW C47H69N9O8S 919.499 NA PeJP NA NA +PJ080974 SSTTLLLW C43H69N9O13 919.5015 NA PeJP NA NA +PJ080975 SDKKMRR C36H69N15O11S 919.5022 NA PeJP NA NA +PJ080976 VLLKMMW C44H73N9O8S2 919.5024 NA PeJP NA NA +PJ080977 GVQKFRW C44H65N13O9 919.5029 NA PeJP NA NA +PJ080978 SSLLLKEM C40H73N9O13S 919.5049 NA PeJP NA NA +PJ080979 ATKKMRW C41H69N13O9S 919.5062 NA PeJP NA NA +PJ080980 LLFRWW C49H65N11O7 919.5069 NA PeJP NA NA +PJ080981 GTTTKKER C37H69N13O14 919.5087 NA PeJP NA NA +PJ080982 TLLMMRR C38H73N13O9S2 919.5096 NA PeJP NA NA +PJ080983 AAQRRRY C38H65N17O10 919.5101 NA PeJP NA NA +MJ097771 Patellazole A; 36,41-Dihydroxy C49H77NO13S 919.511562 NA MeJP NA NA +PJ080984 TTKKKEW C42H69N11O12 919.5127 NA PeJP NA NA +PJ080985 GSTTLKKW C42H69N11O12 919.5128 NA PeJP NA NA +PJ080986 SSKMRRR C35H69N17O10S 919.5134 NA PeJP NA NA +PJ080987 QKFRRW C43H65N15O8 919.5141 NA PeJP NA NA +PJ080988 SSTLLLMR C39H73N11O12S 919.5161 NA PeJP NA NA +PJ080989 PTLLKYW C47H69N9O10 919.5168 NA PeJP NA NA +PJ080990 VLKMHHR C40H69N15O8S 919.5175 NA PeJP NA NA +PJ080991 SSSSLKRR C36H69N15O13 919.52 NA PeJP NA NA +PJ080992 GPVLLKMY C44H73N9O10S 919.5202 NA PeJP NA NA +PJ080993 AKKMMRR C37H73N15O8S2 919.5208 NA PeJP NA NA +PJ080994 NRRRRY C37H65N19O9 919.5213 NA PeJP NA NA +PJ080995 SSSSTLLLL C40H73N9O15 919.5226 NA PeJP NA NA +PJ080996 ATLLLKMM C41H77N9O10S2 919.5235 NA PeJP NA NA +PJ080997 TTTKKRW C41H69N13O11 919.524 NA PeJP NA NA +PJ080998 TKKKEMR C38H73N13O11S 919.5274 NA PeJP NA NA +PJ080999 GLLLRYW C46H69N11O9 919.528 NA PeJP NA NA +PJ081000 SLKKKMW C43H73N11O9S 919.5314 NA PeJP NA NA +PJ081001 SSTLKKKE C39H73N11O14 919.5339 NA PeJP NA NA +PJ081002 AALKKKMM C40H77N11O9S2 919.5348 NA PeJP NA NA +PJ081003 GLQKRRY C40H69N15O10 919.5352 NA PeJP NA NA +PJ081004 AALLLKEY C44H73N9O12 919.5379 NA PeJP NA NA +PJ081005 TTKKMRR C37H73N15O10S 919.5386 NA PeJP NA NA +MJ097772 Panagrellus redivivus Heptapeptide C45H69N13O8 919.539206 NA MeJP NA NA +PJ081006 GVKKFRW C45H69N13O8 919.5393 NA PeJP NA NA +PJ081007 TTTLLLKM C41H77N9O12S 919.5413 NA PeJP NA NA +PJ081008 VVLMFRR C42H73N13O8S 919.5426 NA PeJP NA NA +PJ081009 SSTTLKKR C38H73N13O13 919.5451 NA PeJP NA NA +PJ081010 VKKKMMR C39H77N13O8S2 919.546 NA PeJP NA NA +PJ081011 AAKRRRY C39H69N17O9 919.5465 NA PeJP NA NA +PJ081012 VLLKERY C43H73N11O11 919.5491 NA PeJP NA NA +PJ081013 GGAALLKKY C43H73N11O11 919.5492 NA PeJP NA NA +MJ097773 Tylosin; 9,20-Dialcohol C46H81NO17 919.55045 NA MeJP NA NA +PJ081014 KKFRRW C44H69N15O7 919.5505 NA PeJP NA NA +PJ081015 ATTLKKKM C40H77N11O11S 919.5525 NA PeJP NA NA +PJ081016 VVLLKYW C48H73N9O9 919.5532 NA PeJP NA NA +PJ081017 GVLLLKMF C45H77N9O9S 919.5565 NA PeJP NA NA +PJ081018 APKHRRR C38H69N19O8 919.5577 NA PeJP NA NA +PJ081019 SLLLRRY C42H73N13O10 919.5604 NA PeJP NA NA +PJ081020 GTCKKKKK C39H77N13O10S 919.5638 NA PeJP NA NA +PJ081021 ALKKKFW C47H73N11O8 919.5644 NA PeJP NA NA +PJ081022 LLLKMFR C44H77N11O8S 919.5678 NA PeJP NA NA +PJ081023 TTTTLKKK C40H77N11O13 919.5703 NA PeJP NA NA +PJ081024 GLKKRRY C41H73N15O9 919.5716 NA PeJP NA NA +PJ081025 GTLLLLKY C45H77N9O11 919.5743 NA PeJP NA NA +PJ081026 SSSKKKKK C39H77N13O12 919.5815 NA PeJP NA NA +PJ081027 PVKKHRR C40H73N17O8 919.5828 NA PeJP NA NA +PJ081028 LLQKKKY C44H77N11O10 919.5855 NA PeJP NA NA +PJ081029 VVKKKRY C43H77N13O9 919.5968 NA PeJP NA NA +PJ081030 LLLLHRR C42H77N15O8 919.608 NA PeJP NA NA +PJ081031 AAPPLLLLL C46H81N9O10 919.6107 NA PeJP NA NA +PJ081032 LLKKKKY C45H81N11O9 919.6219 NA PeJP NA NA +HMDB08651 PC(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)) C54H98NO8P 919.703003 NA HMDB2010 NA NA +HMDB08683 PC(22:5(4Z,7Z,10Z,13Z,16Z)/24:0) C54H98NO8P 919.703003 NA HMDB2010 NA NA +HMDB08716 PC(22:5(7Z,10Z,13Z,16Z,19Z)/24:0) C54H98NO8P 919.703003 NA HMDB2010 NA NA +HMDB08779 PC(24:0/22:5(4Z,7Z,10Z,13Z,16Z)) C54H98NO8P 919.703003 NA HMDB2010 NA NA +HMDB08780 PC(24:0/22:5(7Z,10Z,13Z,16Z,19Z)) C54H98NO8P 919.703003 NA HMDB2010 NA NA +HMDB08811 PC(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)) C54H98NO8P 919.703003 NA HMDB2010 NA NA +7424 coeliac toxic peptide PQQPQQSFPQQQRPF 919.9415 MH2+ Inhouse_peptide NA peptide +MJ097774 Acutissimin C; 3'-Hydroxy C42H32O24 920.128351 NA MeJP NA NA +PJ081033 CCCCDDEM C30H48N8O15S5 920.1843 NA PeJP NA NA +PJ081034 CCCCCCHF C33H48N10O9S6 920.193 NA PeJP NA NA +PJ081035 GSCCCCCNE C29H48N10O14S5 920.1955 NA PeJP NA NA +PJ081036 GGGSCCCCCE C29H48N10O14S5 920.1956 NA PeJP NA NA +PJ081037 SCCCCCNW C33H48N10O11S5 920.2108 NA PeJP NA NA +PJ081038 SSSCCCCND C29H48N10O16S4 920.2133 NA PeJP NA NA +PJ081039 CCCCNNMM C30H52N10O11S6 920.2142 NA PeJP NA NA +PJ081040 PCCCCDDY C34H48N8O14S4 920.2173 NA PeJP NA NA +PJ081041 SCCCDEMM C31H52N8O14S5 920.2207 NA PeJP NA NA +PJ081042 PCCCCMMM C32H56N8O9S7 920.2216 NA PeJP NA NA +FL5FACGL0071 Quercetin 3-(2'''-caffeylsambubioside)-7-glucoside C41H44O24 920.22225 162556-34-5 knapsack NA NA +PJ081043 CCCCCCQR C29H52N12O10S6 920.2254 NA PeJP NA NA +PJ081044 CCCCNNDF C33H48N10O13S4 920.2286 NA PeJP NA NA +MJ097775 Visnagin oligomers; Visnagin tetramer (n=3) C52H40O16 920.231635 NA MeJP NA NA +PJ081045 GSSCCCCQM C30H52N10O13S5 920.2319 NA PeJP NA NA +PJ081046 GCCDDDMY C34H48N8O16S3 920.2351 NA PeJP NA NA +PJ081047 PCCCCDMF C35H52N8O11S5 920.236 NA PeJP NA NA +PJ081048 GCCDMMMM C32H56N8O11S6 920.2393 NA PeJP NA NA +PJ081049 SCCCCEHH C32H48N12O12S4 920.2398 NA PeJP NA NA +PJ081050 GSSCCCCCR C29H52N12O12S5 920.2432 NA PeJP NA NA +PJ081051 SCDDDDDH C32H44N10O20S 920.2455 NA PeJP NA NA +PJ081052 SCCCNNDY C33H48N10O15S3 920.2463 NA PeJP NA NA +PJ081053 SSSSCCCNM C30H52N10O15S4 920.2497 NA PeJP NA NA +PJ081054 CCCDEYW C38H48N8O13S3 920.2503 NA PeJP NA NA +PJ081055 CCCCCQKM C31H56N10O10S6 920.2506 NA PeJP NA NA +PJ081056 PDDDDDDD C33H44N8O23 920.252 NA PeJP NA NA +PJ081057 SSCCDDEY C34H48N8O18S2 920.2528 NA PeJP NA NA +PJ081058 SPCCCDMY C35H52N8O13S4 920.2537 NA PeJP NA NA +PJ081059 SSCCEMMM C32H56N8O13S5 920.2571 NA PeJP NA NA +PJ081060 GCCCMMHH C33H52N12O9S5 920.2584 NA PeJP NA NA +PJ081061 CCCCCCKR C30H56N12O9S6 920.2618 NA PeJP NA NA +PJ081062 GCDDDEMH C33H48N10O17S2 920.2641 NA PeJP NA NA +PJ081063 GCCCNQMY C34H52N10O12S4 920.2649 NA PeJP NA NA +PJ081064 GGGGACCCMY C34H52N10O12S4 920.265 NA PeJP NA NA +PJ081065 GSSSSSTCCC C30H52N10O17S3 920.2674 NA PeJP NA NA +PJ081066 GCCDDDFF C38H48N8O15S2 920.2681 NA PeJP NA NA +PJ081067 GSSCCCCKM C31H56N10O12S5 920.2683 NA PeJP NA NA +PJ081068 CCCNNNNH C31H48N14O13S3 920.2688 NA PeJP NA NA +PJ081069 CCCEMFW C39H52N8O10S4 920.269 NA PeJP NA NA +PJ081070 GSCDDMMY C35H52N8O15S3 920.2715 NA PeJP NA NA +PJ081071 APCCCMMY C36H56N8O10S5 920.2723 NA PeJP NA NA +PJ081072 GCCCDHHF C36H48N12O11S3 920.2728 NA PeJP NA NA +PJ081073 SCCNNDEH C32H48N12O16S2 920.2753 NA PeJP NA NA +PJ081074 GSCMMMMM C33H60N8O10S6 920.2757 NA PeJP NA NA +PJ081075 GCCCCNRY C33H52N12O11S4 920.2762 NA PeJP NA NA +PJ081076 CDDDMHW C37H48N10O14S2 920.2793 NA PeJP NA NA +MJ097776 5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 8-Me ether, 6-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C39H52O25 920.279767 NA MeJP NA NA +MJ097777 Toralactone; 9-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C39H52O25 920.279767 NA MeJP NA NA +C17674 Cassiaside B2 C39H52O25 920.2798 NA KEGG NA NA +PJ081077 SSDDDDMH C33H48N10O19S 920.2818 NA PeJP NA NA +PJ081078 GGGGPCDDDE C33H48N10O19S 920.2819 NA PeJP NA NA +PJ081079 SSCCNNMY C34H52N10O14S3 920.2827 NA PeJP NA NA +PJ081080 PPCCCMMH C35H56N10O9S5 920.2836 NA PeJP NA NA +MJ097778 Perdeacyleuojaponin; 8-(2-Pyridinecarbonyl), 6-(3-furancarbonyl), 1,2,9,14-tetra-Ac C45H48N2O19 920.285127 NA MeJP NA NA +PJ081081 SSSSSSSSCC C30H52N10O19S2 920.2852 NA PeJP NA NA +PJ081082 CNDDEYY C38H48N8O17S 920.2858 NA PeJP NA NA +PJ081083 GGCDDEYY C38H48N8O17S 920.2859 NA PeJP NA NA +PJ081084 SSSTCCCCK C31H56N10O14S4 920.2861 NA PeJP NA NA +PJ081085 SCCEMYW C39H52N8O12S3 920.2867 NA PeJP NA NA +PJ081086 CCCCCKKM C32H60N10O9S6 920.2869 NA PeJP NA NA +PJ081087 SPDDDDEE C34H48N8O22 920.2884 NA PeJP NA NA +PJ081088 SSSCDEMY C35H52N8O17S2 920.2892 NA PeJP NA NA +PJ081089 CNEMMMY C36H56N8O12S4 920.2901 NA PeJP NA NA +PJ081090 GSCCNDHW C36H48N12O13S2 920.2906 NA PeJP NA NA +PJ081091 GSSSCNDDH C32H48N12O18S 920.2931 NA PeJP NA NA +PJ081092 SSTCMMMM C33H60N8O12S5 920.2935 NA PeJP NA NA +PJ081093 GCNNDMMH C33H52N12O13S3 920.2939 NA PeJP NA NA +PJ081094 GGGGGCDMMH C33H52N12O13S3 920.294 NA PeJP NA NA +PJ081095 GPCNDDDW C37H48N10O16S 920.2971 NA PeJP NA NA +PJ081096 GCCCNQFF C38H52N10O11S3 920.298 NA PeJP NA NA +PJ081097 GNNDDEEE C33H48N10O21 920.2996 NA PeJP NA NA +PJ081098 GSSSSCCQY C34H52N10O16S2 920.3004 NA PeJP NA NA +PJ081099 GGGSSSTCCY C34H52N10O16S2 920.3005 NA PeJP NA NA +PJ081100 GCDDYYW C42H48N8O14S 920.3011 NA PeJP NA NA +PJ081101 CCDMMRY C35H56N10O11S4 920.3013 NA PeJP NA NA +PJ081102 PCCCFYW C43H52N8O9S3 920.302 NA PeJP NA NA +PJ081103 GSSDDDYY C38H48N8O19 920.3036 NA PeJP NA NA +PJ081104 CNNNNNND C31H48N14O17S 920.3043 NA PeJP NA NA +PJ081105 GSPCCEYY C39H52N8O14S2 920.3045 NA PeJP NA NA +PJ081106 GCCCNEHR C32H52N14O12S3 920.3052 NA PeJP NA NA +PJ081107 GCMMMYW C40H56N8O9S4 920.3053 NA PeJP NA NA +PJ081108 APCCCMFF C40H56N8O9S4 920.3054 NA PeJP NA NA +PJ081109 GPDDEEEM C35H52N8O19S 920.307 NA PeJP NA NA +PJ081110 GSSDMMMY C36H56N8O14S3 920.3078 NA PeJP NA NA +PJ081111 GCNNDDHF C36H48N12O15S 920.3083 NA PeJP NA NA +PJ081112 CQMMMMF C37H60N8O9S5 920.3087 NA PeJP NA NA +PJ081113 CCNQMHW C37H52N12O10S3 920.3092 NA PeJP NA NA +PJ081114 GNDDDDDR C32H48N12O20 920.3108 NA PeJP NA NA +PJ081115 GGGGGGGGSDDE C32H48N12O20 920.3109 NA PeJP NA NA +PJ081116 SSCNNEMH C33H52N12O15S2 920.3117 NA PeJP NA NA +PJ081117 PCCCCQKH C34H56N12O10S4 920.3126 NA PeJP NA NA +PJ081118 GCCNNHHH C34H48N16O11S2 920.313 NA PeJP NA NA +PJ081119 GGGGGCCHHH C34H48N16O11S2 920.3131 NA PeJP NA NA +PJ081120 NNDDEEW C37H48N10O18 920.3148 NA PeJP NA NA +PJ081121 GGNDDEEW C37H48N10O18 920.3149 NA PeJP NA NA +PJ081122 SDDMMHW C38H52N10O13S2 920.3157 NA PeJP NA NA +PJ081123 SSSSSSCNY C34H52N10O18S 920.3182 NA PeJP NA NA +PJ081124 SSCCCQKY C35H56N10O13S3 920.3191 NA PeJP NA NA +PJ081125 GSCDEHHH C35H48N14O14S 920.3196 NA PeJP NA NA +PJ081126 SPCCYYW C43H52N8O11S2 920.3197 NA PeJP NA NA +PJ081127 CCMMMFR C36H60N10O8S5 920.32 NA PeJP NA NA +PJ081128 CCCNHRW C36H52N14O9S3 920.3204 NA PeJP NA NA +PJ081129 PDDEEMW C39H52N8O16S 920.3222 NA PeJP NA NA +PJ081130 SSCCNDHR C32H52N14O14S2 920.3229 NA PeJP NA NA +PJ081131 STCMMYW C40H56N8O11S3 920.3231 NA PeJP NA NA +PJ081132 QEEEEEE C35H52N8O21 920.3247 NA PeJP NA NA +PJ081133 GAEEEEEE C35H52N8O21 920.3248 NA PeJP NA NA +PJ081134 SSSSEMMY C36H56N8O16S2 920.3256 NA PeJP NA NA +PJ081135 GSNNNDDW C36H48N12O17 920.3261 NA PeJP NA NA +PJ081136 SQMMMMY C37H60N8O11S4 920.3265 NA PeJP NA NA +PJ081137 GSSCNMHW C37H52N12O12S2 920.3269 NA PeJP NA NA +PJ081138 GGGSSCMHW C37H52N12O12S2 920.327 NA PeJP NA NA +PJ081139 GSSSSNDMH C33H52N12O17S 920.3294 NA PeJP NA NA +PJ081140 SPCNDDDR C33H52N12O17S 920.3295 NA PeJP NA NA +PJ081141 GNDDEWW C41H48N10O15 920.3301 NA PeJP NA NA +PJ081142 CDEMMHR C34H56N12O12S3 920.3303 NA PeJP NA NA +PJ081143 PCCEHFW C42H52N10O10S2 920.331 NA PeJP NA NA +PJ081144 GSPNDDMW C38H52N10O15S 920.3335 NA PeJP NA NA +PJ081145 GEMMMHW C39H56N10O10S3 920.3343 NA PeJP NA NA +PJ081146 GGAPPCCMW C39H56N10O10S3 920.3344 NA PeJP NA NA +PJ081147 SCDHHHW C39H48N14O11S 920.3348 NA PeJP NA NA +PJ081148 DDEEEER C34H52N10O20 920.336 NA PeJP NA NA +PJ081149 GSSSSCCKY C35H56N10O15S2 920.3368 NA PeJP NA NA +PJ081150 GGGPNEEMM C35H56N10O15S2 920.3369 NA PeJP NA NA +PJ081151 SSSDDHHH C35H48N14O16 920.3373 NA PeJP NA NA +PJ081152 GSDMYYW C43H52N8O13S 920.3375 NA PeJP NA NA +PJ081153 SCMMMRY C36H60N10O10S4 920.3377 NA PeJP NA NA +PJ081154 NDMMHHH C36H52N14O11S2 920.3382 NA PeJP NA NA +PJ081155 GCMMFFW C44H56N8O8S3 920.3384 NA PeJP NA NA +PJ081156 AEEEEEW C39H52N8O18 920.34 NA PeJP NA NA +PJ081157 GCNNNDER C32H52N14O16S 920.3407 NA PeJP NA NA +PJ081158 GQEMMYY C40H56N8O13S2 920.3409 NA PeJP NA NA +PJ081159 PDDDHHW C40H48N12O14 920.3413 NA PeJP NA NA +PJ081160 CFYYYY C48H52N6O11S 920.3415 NA PeJP NA NA +PJ081161 GSCCQMHR C33H56N14O11S3 920.3416 NA PeJP NA NA +PJ081162 CCQHHFF C41H52N12O9S2 920.3422 NA PeJP NA NA +PJ081163 GPTEEEEM C36H56N8O18S 920.3434 NA PeJP NA NA +PJ081164 GSTTMMMY C37H60N8O13S3 920.3442 NA PeJP NA NA +PJ081165 SSSSCQHW C37H52N12O14S 920.3447 NA PeJP NA NA +PJ081166 CKMMMMF C38H64N8O8S5 920.3451 NA PeJP NA NA +PJ081167 NDDWWW C45H48N10O12 920.3454 NA PeJP NA NA +PJ081168 GPPCCCRW C38H56N12O9S3 920.3456 NA PeJP NA NA +PJ081169 GSNDDEER C33H52N12O19 920.3472 NA PeJP NA NA +PJ081170 GPCNDEMR C34H56N12O14S2 920.3481 NA PeJP NA NA +PJ081171 GNNNNDHH C34H48N16O15 920.3485 NA PeJP NA NA +PJ081172 GGGNNNDHH C34H48N16O15 920.3486 NA PeJP NA NA +PJ081173 SPCNEWW C42H52N10O12S 920.3487 NA PeJP NA NA +PJ081174 PCCCCKKH C35H60N12O9S4 920.349 NA PeJP NA NA +PJ081175 CCEHHHR C35H52N16O10S2 920.3494 NA PeJP NA NA +PJ081176 MMMHWW C43H56N10O7S3 920.3496 NA PeJP NA NA +PJ081177 SNQEEEW C38H52N10O17 920.3512 NA PeJP NA NA +PJ081178 GGGGGPDEEF C38H52N10O17 920.3513 NA PeJP NA NA +PJ081179 STEMMHW C39H56N10O12S2 920.3521 NA PeJP NA NA +PJ081180 NDDHHHF C39H48N14O13 920.3526 NA PeJP NA NA +PJ081181 TCYYWW C47H52N8O10S 920.3527 NA PeJP NA NA +PJ081182 GCDFFFW C47H52N8O10S 920.3528 NA PeJP NA NA +PJ081183 ACMHHHW C40H52N14O8S2 920.3534 NA PeJP NA NA +PJ081184 SSTTEEMH C35H56N10O17S 920.3546 NA PeJP NA NA +PJ081185 SSSEYYW C43H52N8O15 920.3552 NA PeJP NA NA +PJ081186 PPDDEYW C43H52N8O15 920.3553 NA PeJP NA NA +PJ081187 SSCCCKKY C36H60N10O12S3 920.3555 NA PeJP NA NA +PJ081188 CNNNDRW C36H52N14O13S 920.3559 NA PeJP NA NA +PJ081189 GGGGCNDRW C36H52N14O13S 920.356 NA PeJP NA NA +PJ081190 QMMYYW C44H56N8O10S2 920.3561 NA PeJP NA NA +PJ081191 CNHHHHH C37H48N18O9S 920.3573 NA PeJP NA NA +PJ081192 SSNNNDDR C32H52N14O18 920.3584 NA PeJP NA NA +PJ081193 GGGGSSNDDR C32H52N14O18 920.3585 NA PeJP NA NA +PJ081194 PTEEEMW C40H56N8O15S 920.3586 NA PeJP NA NA +PJ081195 SYYYYY C48H52N6O13 920.3592 NA PeJP NA NA +PJ081196 GPCCDDRR C33H56N14O13S2 920.3593 NA PeJP NA NA +PJ081197 PPEMMMW C41H60N8O10S3 920.3595 NA PeJP NA NA +PJ081198 GNNNMWW C41H52N12O11S 920.36 NA PeJP NA NA +PJ081199 KEEEEEE C36H56N8O20 920.3611 NA PeJP NA NA +PJ081200 SSTTTMMY C37H60N8O15S2 920.362 NA PeJP NA NA +PJ081201 SNDDERW C37H52N12O16 920.3625 NA PeJP NA NA +PJ081202 SKMMMMY C38H64N8O10S4 920.3628 NA PeJP NA NA +PJ081203 SPPPMMMM C38H64N8O10S4 920.3629 NA PeJP NA NA +PJ081204 PCNDMRW C38H56N12O11S2 920.3633 NA PeJP NA NA +PJ081205 GGGGGPCCKW C38H56N12O11S2 920.3634 NA PeJP NA NA +PJ081206 GSPCWWW C46H52N10O9S 920.364 NA PeJP NA NA +PJ081207 NNEEEMR C34H56N12O16S 920.3658 NA PeJP NA NA +PJ081208 GGGGEEEMR C34H56N12O16S 920.3659 NA PeJP NA NA +PJ081209 GSQEEWW C42H52N10O14 920.3665 NA PeJP NA NA +PJ081210 SEMMMHR C35H60N12O11S3 920.3667 NA PeJP NA NA +PJ081211 APCQMWW C43H56N10O9S2 920.3673 NA PeJP NA NA +PJ081212 GPNMMWW C43H56N10O9S2 920.3674 NA PeJP NA NA +PJ081213 VCQQEEW C39H56N10O14S 920.3698 NA PeJP NA NA +PJ081214 AQQEEMW C39H56N10O14S 920.3699 NA PeJP NA NA +PJ081215 NEFYYW C47H52N8O12 920.3705 NA PeJP NA NA +PJ081216 SVMMMHW C40H60N10O9S3 920.3707 NA PeJP NA NA +PJ081217 SSMHHHW C40H52N14O10S 920.3712 NA PeJP NA NA +PJ081218 GSSSPTQEE C35H56N10O19 920.3723 NA PeJP NA NA +PJ081219 TEEEEER C35H56N10O19 920.3724 NA PeJP NA NA +PJ081220 PEEEMMR C36H60N10O14S2 920.3732 NA PeJP NA NA +PJ081221 GNNNNNQF C36H52N14O15 920.3737 NA PeJP NA NA +PJ081222 GTTMYYW C44H56N8O12S 920.3739 NA PeJP NA NA +PJ081223 LQMMMMH C37H64N10O9S4 920.3741 NA PeJP NA NA +PJ081224 CNNMHFR C37H56N14O10S2 920.3746 NA PeJP NA NA +PJ081225 SLEEEEW C40H56N8O17 920.3764 NA PeJP NA NA +PJ081226 NDDDMRR C33H56N14O15S 920.3771 NA PeJP NA NA +PJ081227 PVEEMMW C41H60N8O12S2 920.3772 NA PeJP NA NA +PJ081228 GPPPEMMY C41H60N8O12S2 920.3773 NA PeJP NA NA +PJ081229 GSDDRWW C41H52N12O13 920.3777 NA PeJP NA NA +PJ081230 SPPCCCRR C34H60N14O10S3 920.3779 NA PeJP NA NA +PJ081231 APCCRWW C42H56N12O8S2 920.3786 NA PeJP NA NA +PJ081232 AALEEEEM C37H60N8O17S 920.3798 NA PeJP NA NA +PJ081233 SPPVEMMM C38H64N8O12S3 920.3806 NA PeJP NA NA +PJ081234 GNEEMRW C38H56N12O13S 920.3811 NA PeJP NA NA +PJ081235 SQEWWW C46H52N10O11 920.3817 NA PeJP NA NA +PJ081236 GGGPDFWW C46H52N10O11 920.3818 NA PeJP NA NA +PJ081237 PCMMHFR C39H60N12O8S3 920.382 NA PeJP NA NA +PJ081238 GPPCHHHH C39H52N16O9S 920.3824 NA PeJP NA NA +PJ081239 GSSQEEER C34H56N12O18 920.3836 NA PeJP NA NA +PJ081240 QQQQQMM C35H60N12O13S2 920.3844 NA PeJP NA NA +PJ081241 GSPNEMMR C35H60N12O13S2 920.3845 NA PeJP NA NA +PJ081242 NNDEHHR C35H52N16O14 920.3849 NA PeJP NA NA +PJ081243 GGGGDEHHR C35H52N16O14 920.385 NA PeJP NA NA +MJ097779 Keramamide F C43H56N10O11S 920.385073 NA MeJP NA NA +PJ081244 AAQEMWW C43H56N10O11S 920.3851 NA PeJP NA NA +PJ081245 CLMMMHR C36H64N12O8S4 920.3853 NA PeJP NA NA +PJ081246 GFYYWW C51H52N8O9 920.3858 NA PeJP NA NA +PJ081247 SNKEEEW C39H56N10O16 920.3876 NA PeJP NA NA +PJ081248 GSCNNDRR C32H56N16O14S 920.3883 NA PeJP NA NA +PJ081249 PNDKMMW C40H60N10O11S2 920.3885 NA PeJP NA NA +PJ081250 GQQEHHW C40H52N14O12 920.389 NA PeJP NA NA +PJ081251 QMFFYW C48H56N8O9S 920.3891 NA PeJP NA NA +PJ081252 VEEEEMR C36H60N10O16S 920.391 NA PeJP NA NA +PJ081253 STTTYYW C44H56N8O14 920.3916 NA PeJP NA NA +PJ081254 GTTLMMMH C37H64N10O11S3 920.3919 NA PeJP NA NA +PJ081255 GCDERRW C37H56N14O12S 920.3923 NA PeJP NA NA +PJ081256 GGGGGGGPCFR C37H56N14O12S 920.3924 NA PeJP NA NA +PJ081257 KMMYYW C45H60N8O9S2 920.3925 NA PeJP NA NA +PJ081258 GNNHFFW C45H52N12O10 920.393 NA PeJP NA NA +PJ081259 GSSDDERR C33H56N14O17 920.3948 NA PeJP NA NA +PJ081260 GGGGGGGGGSSSK C33H56N14O17 920.3949 NA PeJP NA NA +PJ081261 VVEEEMW C41H60N8O14S 920.395 NA PeJP NA NA +PJ081262 GSPCDMRR C34H60N14O12S2 920.3957 NA PeJP NA NA +PJ081263 AKMMMFY C42H64N8O9S3 920.3959 NA PeJP NA NA +PJ081264 NEMRWW C42H56N12O10S 920.3963 NA PeJP NA NA +PJ081265 GGEMRWW C42H56N12O10S 920.3964 NA PeJP NA NA +PJ081266 GTWWWW C50H52N10O8 920.397 NA PeJP NA NA +PJ081267 ATTLEEEE C37H60N8O19 920.3975 NA PeJP NA NA +PJ081268 APTLEEMM C38H64N8O14S2 920.3984 NA PeJP NA NA +PJ081269 SSQEERW C38H56N12O15 920.3988 NA PeJP NA NA +PJ081270 GGSTEERW C38H56N12O15 920.3989 NA PeJP NA NA +PJ081271 APPLMMMM C39H68N8O9S4 920.3993 NA PeJP NA NA +PJ081272 SPNMMRW C39H60N12O10S2 920.3997 NA PeJP NA NA +PJ081273 GNDHHRW C39H52N16O11 920.4002 NA PeJP NA NA +PJ081274 VNMWWW C47H56N10O8S 920.4004 NA PeJP NA NA +PJ081275 NDKEEMR C35H60N12O15S 920.4022 NA PeJP NA NA +PJ081276 GSKEEWW C43H56N10O13 920.4029 NA PeJP NA NA +PJ081277 PQQMMMR C36H64N12O10S3 920.4031 NA PeJP NA NA +PJ081278 GSPCQHHR C36H56N16O11S 920.4036 NA PeJP NA NA +PJ081279 APCKMWW C44H60N10O8S2 920.4037 NA PeJP NA NA +PJ081280 QQHHWW C44H52N14O9 920.4042 NA PeJP NA NA +PJ081281 AQKEEMW C40H60N10O13S 920.4062 NA PeJP NA NA +PJ081282 GAAKEEMW C40H60N10O13S 920.4063 NA PeJP NA NA +PJ081283 VQYYYW C48H56N8O11 920.4069 NA PeJP NA NA +PJ081284 GGGGGACMRR C33H60N16O11S2 920.407 NA PeJP NA NA +PJ081285 PKMMMHF C41H64N10O8S3 920.4071 NA PeJP NA NA +PJ081286 CDRRWW C41H56N14O9S 920.4076 NA PeJP NA NA +PJ081287 GTTQKEEE C36H60N10O18 920.4087 NA PeJP NA NA +PJ081288 GSDKKEEE C36H60N10O18 920.4088 NA PeJP NA NA +PJ081289 STTTLMMH C37H64N10O13S2 920.4096 NA PeJP NA NA +PJ081290 SSDDRRW C37H56N14O14 920.4101 NA PeJP NA NA +PJ081291 AVQMFYY C45H60N8O11S 920.4102 NA PeJP NA NA +PJ081292 PPVEMYW C45H60N8O11S 920.4103 NA PeJP NA NA +PJ081293 LKMMMMH C38H68N10O8S4 920.4105 NA PeJP NA NA +2752 activating kinases and phosphatases peptide DPSYVNVQ 920.4108 antibacterial Inhouse_peptide NA peptide +PJ081294 CCQKHFR C38H60N14O9S2 920.4109 NA PeJP NA NA +PJ081295 PTCCRRW C38H60N14O9S2 920.411 NA PeJP NA NA +PJ081296 GMRWWW C46H56N12O7S 920.4116 NA PeJP NA NA +PJ081297 SSSTTLYY C41H60N8O16 920.4127 NA PeJP NA NA +PJ081298 AAPLEEEY C41H60N8O16 920.4128 NA PeJP NA NA +PJ081299 GSSQQQMR C34H60N14O14S 920.4134 NA PeJP NA NA +PJ081300 SNEEMRR C34H60N14O14S 920.4135 NA PeJP NA NA +PJ081301 SVKMMYY C42H64N8O11S2 920.4136 NA PeJP NA NA +PJ081302 GSTERWW C42H56N12O12 920.4141 NA PeJP NA NA +PJ081303 PCQMMRR C35H64N14O9S3 920.4143 NA PeJP NA NA +PJ081304 APHHHHW C43H52N16O8 920.4154 NA PeJP NA NA +PJ081305 GTLLEEEM C38H64N8O16S 920.4161 NA PeJP NA NA +PJ081306 GPLLEMMM C39H68N8O11S3 920.417 NA PeJP NA NA +PJ081307 GDKEMRW C39H60N12O12S 920.4175 NA PeJP NA NA +PJ081308 SKEWWW C47H56N10O10 920.4181 NA PeJP NA NA +PJ081309 CCNNRRR C32H60N18O10S2 920.4182 NA PeJP NA NA +PJ081310 GMHHHFR C40H56N16O8S 920.4188 NA PeJP NA NA +MJ097780 Chlorothricin; Dechloro C50H64O16 920.419436 NA MeJP NA NA +PJ081311 GSSKEEER C35H60N12O17 920.42 NA PeJP NA NA +PJ081312 VQQEMMR C36H64N12O12S2 920.4208 NA PeJP NA NA +PJ081313 GGLQEMMR C36H64N12O12S2 920.4209 NA PeJP NA NA +PJ081314 SQQEHHR C36H56N16O13 920.4213 NA PeJP NA NA +PJ081315 AAKEMWW C44H60N10O10S 920.4215 NA PeJP NA NA +MJ097781 Microginin 299A; 1-Chloro C45H66Cl2N6O10 920.421747 NA MeJP NA NA +PJ081316 QFFFFW C52H56N8O8 920.4221 NA PeJP NA NA +PJ081317 GAFFFFW C52H56N8O8 920.4222 NA PeJP NA NA +PJ081318 SDKKEEW C40H60N10O15 920.424 NA PeJP NA NA +PJ081319 SCDERRR C33H60N16O13S 920.4247 NA PeJP NA NA +PJ081320 PTQKMMW C41H64N10O10S2 920.4249 NA PeJP NA NA +PJ081321 GNNQFRW C41H56N14O11 920.4253 NA PeJP NA NA +PJ081322 GGGGGQFRW C41H56N14O11 920.4254 NA PeJP NA NA +PJ081323 KMFFYW C49H60N8O8S 920.4255 NA PeJP NA NA +PJ081324 PCCMRRR C34H64N16O8S3 920.4256 NA PeJP NA NA +PJ081325 QKKEEEM C37H64N10O15S 920.4274 NA PeJP NA NA +PJ081326 PVVEEYW C45H60N8O13 920.428 NA PeJP NA NA +PJ081327 GPVQKMMM C38H68N10O10S3 920.4282 NA PeJP NA NA +PJ081328 GGGPLKMMM C38H68N10O10S3 920.4283 NA PeJP NA NA +PJ081329 GSEMRRW C38H60N14O11S 920.4287 NA PeJP NA NA +PJ081330 PPLMMFW C46H64N8O8S2 920.4289 NA PeJP NA NA +PJ081331 STRWWW C46H56N12O9 920.4294 NA PeJP NA NA +PJ081332 GSSTEERR C34H60N14O16 920.4312 NA PeJP NA NA +PJ081333 TLLEEMW C42H64N8O13S 920.4314 NA PeJP NA NA +PJ081334 AQEMMRR C35H64N14O11S2 920.4321 NA PeJP NA NA +PJ081335 PLLMMMW C43H68N8O8S3 920.4323 NA PeJP NA NA +PJ081336 SNDHHRR C35H56N18O12 920.4326 NA PeJP NA NA +PJ081337 DKMRWW C43H60N12O9S 920.4327 NA PeJP NA NA +PJ081338 VHFFWW C51H56N10O7 920.4334 NA PeJP NA NA +PJ081339 STTLLEEE C38H64N8O18 920.4339 NA PeJP NA NA +PJ081340 GVLLEEMM C39H68N8O13S2 920.4348 NA PeJP NA NA +PJ081341 SSKEERW C39H60N12O14 920.4352 NA PeJP NA NA +PJ081342 GGGGGGAPTKY C39H60N12O14 920.4353 NA PeJP NA NA +PJ081343 GLQMMRW C40H64N12O9S2 920.4361 NA PeJP NA NA +PJ081344 GTQHHRW C40H56N16O10 920.4366 NA PeJP NA NA +PJ081345 CLKWWW C48H60N10O7S 920.4368 NA PeJP NA NA +PJ081346 TQKEEMR C36H64N12O14S 920.4386 NA PeJP NA NA +PJ081347 ATTKEWW C44H60N10O12 920.4392 NA PeJP NA NA +PJ081348 GGTTTLWW C44H60N10O12 920.4393 NA PeJP NA NA +PJ081349 PQKMMMR C37H68N12O9S3 920.4395 NA PeJP NA NA +PJ081350 VNQMHHR C37H60N16O10S 920.4399 NA PeJP NA NA +PJ081351 GGVQMHHR C37H60N16O10S 920.44 NA PeJP NA NA +MJ097782 Bryostatin 1; 44-Hydroxy C47H68O18 920.440565 NA MeJP NA NA +PJ081352 QKHHWW C45H56N14O8 920.4406 NA PeJP NA NA +PJ081353 SSSSNQRR C33H60N16O15 920.4424 NA PeJP NA NA +PJ081354 GGGGSSSTRR C33H60N16O15 920.4425 NA PeJP NA NA +PJ081355 AKKEEMW C41H64N10O12S 920.4426 NA PeJP NA NA +PJ081356 VKYYYW C49H60N8O10 920.4433 NA PeJP NA NA +PJ081357 SMRRWW C42H60N14O8S 920.444 NA PeJP NA NA +PJ081358 GTTKKEEE C37H64N10O17 920.4451 NA PeJP NA NA +PJ081359 LLEEMMR C38H68N10O12S2 920.446 NA PeJP NA NA +MJ097783 3,12-Dihydroxyhexadecanoic acid, 12-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl(1?3)-?-D-glucopyranosyl(1?3)-?-D-glucopyranoside] C40H72O23 920.446438 NA MeJP NA NA +MJ097784 4,12-Dihydroxyhexadecanoic acid; 12-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] C40H72O23 920.446438 NA MeJP NA NA +PJ081360 SSTERRW C38H60N14O13 920.4465 NA PeJP NA NA +PJ081361 GLKMFYY C46H64N8O10S 920.4466 NA PeJP NA NA +PJ081362 PVLEMFW C46H64N8O10S 920.4467 NA PeJP NA NA +PJ081363 AAMMRRW C39H64N14O8S2 920.4473 NA PeJP NA NA +PJ081364 PTHHHHR C39H56N18O9 920.4478 NA PeJP NA NA +PJ081365 PPTTTLEY C42H64N8O15 920.4491 NA PeJP NA NA +PJ081366 GPTLLEEY C42H64N8O15 920.4492 NA PeJP NA NA +PJ081367 SDKEMRR C35H64N14O13S 920.4498 NA PeJP NA NA +PJ081368 GGGGGTTKMR C35H64N14O13S 920.4499 NA PeJP NA NA +PJ081369 VLLEMMW C43H68N8O10S2 920.45 NA PeJP NA NA +PJ081370 SSSLRWW C43H60N12O11 920.4505 NA PeJP NA NA +PJ081371 PCKMMRR C36H68N14O8S3 920.4507 NA PeJP NA NA +PJ081372 GQMHHRR C36H60N18O9S 920.4512 NA PeJP NA NA +PJ081373 SSLLLEEM C39H68N8O15S 920.4525 NA PeJP NA NA +PJ081374 SPVLLMMM C40H72N8O10S3 920.4534 NA PeJP NA NA +PJ081375 STLQMRW C40H64N12O11S 920.4538 NA PeJP NA NA +PJ081376 ATKEMRW C40H64N12O11S 920.4539 NA PeJP NA NA +PJ081377 AAPKYWW C48H60N10O9 920.4545 NA PeJP NA NA +PJ081378 SSSSSPTLR C36H64N12O16 920.4563 NA PeJP NA NA +PJ081379 GTTTKEER C36H64N12O16 920.4564 NA PeJP NA NA +PJ081380 VQKEMMR C37H68N12O11S2 920.4572 NA PeJP NA NA +PJ081381 GGGGGVKKMM C37H68N12O11S2 920.4573 NA PeJP NA NA +PJ081382 GNQQRRY C37H60N16O12 920.4577 NA PeJP NA NA +PJ081383 GTLKMWW C45H64N10O9S 920.4579 NA PeJP NA NA +PJ081384 KFFFFW C53H60N8O7 920.4585 NA PeJP NA NA +PJ081385 TTKKEEW C41H64N10O14 920.4604 NA PeJP NA NA +PJ081386 SSEMRRR C34H64N16O12S 920.4611 NA PeJP NA NA +PJ081387 VVQKMMW C42H68N10O9S2 920.4612 NA PeJP NA NA +PJ081388 PTKKMMW C42H68N10O9S2 920.4613 NA PeJP NA NA +PJ081389 GSPRRYW C42H60N14O10 920.4617 NA PeJP NA NA +PJ081390 GCHHRRR C35H60N20O8S 920.4624 NA PeJP NA NA +PJ081391 SPTTKKEM C38H68N10O14S 920.4637 NA PeJP NA NA +PJ081392 KKKEEEM C38H68N10O14S 920.4638 NA PeJP NA NA +PJ081393 PTLLEYW C46H64N8O12 920.4644 NA PeJP NA NA +PJ081394 GPVKKMMM C39H72N10O9S3 920.4646 NA PeJP NA NA +PJ081395 ATTMRRW C39H64N14O10S 920.4651 NA PeJP NA NA +PJ081396 VQFRWW C47H60N12O8 920.4657 NA PeJP NA NA +PJ081397 GGLFRWW C47H60N12O8 920.4658 NA PeJP NA NA +PJ081398 SSSSLERR C35H64N14O15 920.4676 NA PeJP NA NA +PJ081399 GPVLLEMY C43H68N8O12S 920.4678 NA PeJP NA NA +PJ081400 AKEMMRR C36H68N14O10S2 920.4685 NA PeJP NA NA +PJ081401 STQHHRR C36H60N18O11 920.4689 NA PeJP NA NA +PJ081402 GGGGPQHRR C36H60N18O11 920.469 NA PeJP NA NA +PJ081403 GPKMFRW C44H64N12O8S 920.4691 NA PeJP NA NA +PJ081404 SCILLLEM C40H72N8O12S2 920.4711 NA PeJP NA NA +PJ081405 ATLLLEMM C40H72N8O12S2 920.4712 NA PeJP NA NA +PJ081406 TTTKERW C40H64N12O13 920.4716 NA PeJP NA NA +PJ081407 GGGGGGGPPPVL C40H64N12O13 920.4717 NA PeJP NA NA +PJ081408 GLKMMRW C41H68N12O8S2 920.4725 NA PeJP NA NA +PJ081409 GTKHHRW C41H60N16O9 920.473 NA PeJP NA NA +PJ081410 TKKEEMR C37H68N12O13S 920.475 NA PeJP NA NA +PJ081411 STTLKWW C45H64N10O11 920.4756 NA PeJP NA NA +PJ081412 GGGGVLLYW C45H64N10O11 920.4757 NA PeJP NA NA +PJ081413 PKKMMMR C38H72N12O8S3 920.4759 NA PeJP NA NA +PJ081414 APCRRRY C38H64N16O9S 920.4763 NA PeJP NA NA +MJ097785 Cholesta-5,23-diene-1,3,16,25-tetrol, 1-O-?-D-Glucopyranoside, 16-O-(2-O-(3,4,5-trimethoxybenzoyl)-?-L-arabinopyranoside) C48H72O17 920.47695 NA MeJP NA NA +PJ081415 AFRRWW C46H60N14O7 920.477 NA PeJP NA NA +PJ081416 SSSSNKRR C34H64N16O14 920.4788 NA PeJP NA NA +MJ097786 Lysyl-?-aspartylserylphenylalanylvalyl-3-amino-?-(2-methylpropyl)-2-oxo-1-pyrrolidineacetylmethioninamide C42H68N10O11S 920.478973 NA MeJP NA NA +PJ081417 SLKKEMW C42H68N10O11S 920.479 NA PeJP NA NA +PJ081418 PPVLFYW C50H64N8O9 920.4797 NA PeJP NA NA +PJ081419 SSTLKKEE C38H68N10O16 920.4815 NA PeJP NA NA +PJ081420 AALKKEMM C39H72N10O11S2 920.4824 NA PeJP NA NA +PJ081421 TTTTRRW C39H64N14O12 920.4828 NA PeJP NA NA +PJ081422 GLQERRY C39H64N14O12 920.4829 NA PeJP NA NA +PJ081423 PVLLMYW C47H68N8O9S 920.483 NA PeJP NA NA +PJ081424 VVHHHHR C40H60N18O8 920.4842 NA PeJP NA NA +PJ081425 AALLLEEY C43H68N8O14 920.4855 NA PeJP NA NA +PJ081426 TTKEMRR C36H68N14O12S 920.4862 NA PeJP NA NA +PJ081427 GPLLLMMF C44H72N8O9S2 920.4864 NA PeJP NA NA +PJ081428 APTKRYW C44H64N12O10 920.4869 NA PeJP NA NA +PJ081429 PPCHRRR C37H64N18O8S 920.4876 NA PeJP NA NA +PJ081430 TTTLLLEM C40H72N8O14S 920.4889 NA PeJP NA NA +PJ081431 GLLLLMMM C41H76N8O9S3 920.4898 NA PeJP NA NA +PJ081432 STLKMRW C41H68N12O10S 920.4902 NA PeJP NA NA +PJ081433 GGSKKKMW C41H68N12O10S 920.4903 NA PeJP NA NA +PJ081434 AALKFWW C49H64N10O8 920.4909 NA PeJP NA NA +PJ081435 SSTTLKER C37H68N12O15 920.4927 NA PeJP NA NA +PJ081436 GGSSTKKKE C37H68N12O15 920.4928 NA PeJP NA NA +PJ081437 VKKEMMR C38H72N12O10S2 920.4936 NA PeJP NA NA +PJ081438 AAERRRY C38H64N16O11 920.4941 NA PeJP NA NA +PJ081439 PCLKKFW C46H68N10O8S 920.4943 NA PeJP NA NA +PJ081440 SSSTLLKW C42H68N10O13 920.4968 NA PeJP NA NA +PJ081441 TTTMRRR C35H68N16O11S 920.4975 NA PeJP NA NA +PJ081442 VVKKMMW C43H72N10O8S2 920.4976 NA PeJP NA NA +MJ097787 Furostane-2,3,22,26-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H76O19 920.49808 NA MeJP NA NA +MJ097788 Furostane-2,3,22,26-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H76O19 920.49808 NA MeJP NA NA +MJ097789 Furostane-3,22,26-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside C45H76O19 920.49808 NA MeJP NA NA +MJ097790 Furostane-3,22,26-triol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H76O19 920.49808 NA MeJP NA NA +MJ097791 Furostane-3,22,26-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside C45H76O19 920.49808 NA MeJP NA NA +C08904 Officinalisnin I C45H76O19 920.4981 NA KEGG NA NA +PJ081443 LQRRYW C43H64N14O9 920.4981 NA PeJP NA NA +PJ081444 ATTLKKEM C39H72N10O13S 920.5001 NA PeJP NA NA +PJ081445 VVLLEYW C47H68N8O11 920.5008 NA PeJP NA NA +PJ081446 APKMRRY C40H68N14O9S 920.5015 NA PeJP NA NA +PJ081447 VKFRWW C48H64N12O7 920.5021 NA PeJP NA NA +PJ081448 SSTTTLRR C36H68N14O14 920.504 NA PeJP NA NA +PJ081449 APTLLLMY C44H72N8O11S 920.5042 NA PeJP NA NA +PJ081450 SLKMMRR C37H72N14O9S2 920.5048 NA PeJP NA NA +PJ081451 CQKKKMR C37H72N14O9S2 920.5049 NA PeJP NA NA +PJ081452 DRRRRY C37H64N18O10 920.5053 NA PeJP NA NA +PJ081453 STLLLLMM C41H76N8O11S2 920.5075 NA PeJP NA NA +PJ081454 GSSTKKKW C41H68N12O12 920.508 NA PeJP NA NA +PJ081455 TFRRRW C42H64N16O8 920.5093 NA PeJP NA NA +PJ081456 GPLHRRW C42H64N16O8 920.5094 NA PeJP NA NA +PJ081457 SSSLLKMR C38H72N12O12S 920.5114 NA PeJP NA NA +MJ097792 Schistostatin 211-18 C46H68N10O10 920.511988 NA MeJP NA NA +PJ081458 SPLKKYW C46H68N10O10 920.512 NA PeJP NA NA +PJ081459 GVMFRRR C39H68N16O8S 920.5127 NA PeJP NA NA +MJ097793 Avermectin B1a; 22,23-Dihydro, 22?,23S-dihydroxy, O5-Me C49H76O16 920.513336 NA MeJP NA NA +MJ097794 Cucurbita-5,24-diene-3,7,16-triol, 16-O-(4,6-Di-O-acetyl-?-D-glucopyranoside), 3-O-(3,4-di-O-acetyl-?-D-xylopyranoside) C49H76O16 920.513336 NA MeJP NA NA +MJ097795 Periplocagenin; 20-O-[?-D-Cymaropyranosyl-(1?5)-3,7-dideoxy-O-methyl-?-D-gluco-2-heptulopyranosyl-(2?4)-dioxy-(1?3)-?-D-canaropyranoside] C49H76O16 920.513336 NA MeJP NA NA +MJ097796 Pregnane-3,8,12,14,17,20-hexol, 12-O-Benzoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H76O16 920.513336 NA MeJP NA NA +PJ081460 AAPLKKMY C43H72N10O10S 920.5154 NA PeJP NA NA +PJ081461 PVLLFFW C51H68N8O8 920.5161 NA PeJP NA NA +PJ081462 TTTTLKKE C39H72N10O15 920.5179 NA PeJP NA NA +PJ081463 GTLLKKMM C40H76N10O10S2 920.5188 NA PeJP NA NA +PJ081464 GLKERRY C40H68N14O11 920.5192 NA PeJP NA NA +PJ081465 GGGGVKKRY C40H68N14O11 920.5193 NA PeJP NA NA +PJ081466 VLLLMFW C48H72N8O8S 920.5194 NA PeJP NA NA +PJ081467 GTLLLLEY C44H72N8O13 920.5219 NA PeJP NA NA +PJ081468 GSSKKKMR C37H72N14O11S 920.5226 NA PeJP NA NA +MJ097797 Helicokinin III C45H68N12O9 920.523221 NA MeJP NA NA +PJ081469 GVLKRYW C45H68N12O9 920.5233 NA PeJP NA NA +PJ081470 MFRRRR C38H68N18O7S 920.524 NA PeJP NA NA +PJ081471 TCKKKKW C42H72N12O9S 920.5266 NA PeJP NA NA +PJ081472 TTTTTLKR C38H72N12O14 920.5291 NA PeJP NA NA +PJ081473 QKKKKMM C39H76N12O9S2 920.53 NA PeJP NA NA +PJ081474 GTLRRRY C39H68N16O10 920.5305 NA PeJP NA NA +PJ081475 LLQKKEY C43H72N10O12 920.5331 NA PeJP NA NA +PJ081476 GALLKKEY C43H72N10O12 920.5332 NA PeJP NA NA +PJ081477 LKRRYW C44H68N14O8 920.5345 NA PeJP NA NA +PJ081478 STTLLKKM C40H76N10O12S 920.5365 NA PeJP NA NA +PJ081479 TLLLLYW C48H72N8O10 920.5372 NA PeJP NA NA +PJ081480 ALKMFRR C41H72N14O8S 920.5379 NA PeJP NA NA +PJ081481 SSSTKKKR C37H72N14O13 920.5404 NA PeJP NA NA +PJ081482 GVLLLLMY C45H76N8O10S 920.5406 NA PeJP NA NA +PJ081483 CKKKKMR C38H76N14O8S2 920.5412 NA PeJP NA NA +PJ081484 SPLHRRR C38H68N18O9 920.5417 NA PeJP NA NA +PJ081485 VVKKERY C42H72N12O11 920.5444 NA PeJP NA NA +PJ081486 GTTKKKKM C39H76N12O11S 920.5478 NA PeJP NA NA +PJ081487 ALLKKYW C47H72N10O9 920.5484 NA PeJP NA NA +PJ081488 LLLLMRY C44H76N10O9S 920.5518 NA PeJP NA NA +PJ081489 SVLKRRY C41H72N14O10 920.5556 NA PeJP NA NA +PJ081490 SSLLLLLY C45H76N8O12 920.5583 NA PeJP NA NA +PJ081491 GKKKKFW C46H72N12O8 920.5597 NA PeJP NA NA +PJ081492 VLKKMFR C43H76N12O8S 920.563 NA PeJP NA NA +PJ081493 STTTKKKK C39H76N12O13 920.5655 NA PeJP NA NA +PJ081494 KKKKKMM C40H80N12O8S2 920.5664 NA PeJP NA NA +PJ081495 VLLQHRR C40H72N16O9 920.5669 NA PeJP NA NA +PJ081496 LLKKKEY C44H76N10O11 920.5695 NA PeJP NA NA +PJ081497 ALLLLLEH C44H76N10O11 920.5696 NA PeJP NA NA +PJ081498 GVLLLLFF C49H76N8O9 920.5736 NA PeJP NA NA +PJ081499 ALLHRRR C39H72N18O8 920.5781 NA PeJP NA NA +PJ081500 TLLKKRY C43H76N12O10 920.5808 NA PeJP NA NA +PJ081501 LLLLFFR C48H76N10O8 920.5848 NA PeJP NA NA +PJ081502 AKKKKRY C42H76N14O9 920.592 NA PeJP NA NA +PJ081503 VLLKHRR C41H76N16O8 920.6032 NA PeJP NA NA +PJ081504 SLLLLLLH C45H80N10O10 920.6059 NA PeJP NA NA +PJ081505 VKKKKKY C44H80N12O9 920.6172 NA PeJP NA NA +PJ081506 PPLLLLKK C46H84N10O9 920.6423 NA PeJP NA NA +MJ097798 Saccharopolyspora Glycolipid 1 C49H92O15 920.643622 NA MeJP NA NA +HMDB10539 TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3] C61H92O6 920.689392 NA HMDB2010 NA NA +C14120 2-Naphthoyl-CoA C32H42N7O17P3S 921.1571 NA KEGG NA NA +C14121 Transferred to D02283 C32H42N7O17P3S 921.1571 NA KEGG NA NA +PJ081507 GCCCCCCNN C28H47N11O12S6 921.173 NA PeJP NA NA +PJ081508 GGGGGCCCCCC C28H47N11O12S6 921.1731 NA PeJP NA NA +PJ081509 GSCCCCCDE C29H47N9O15S5 921.1796 NA PeJP NA NA +PJ081510 GPCCCCCCM C30H51N9O10S7 921.1804 NA PeJP NA NA +PJ081511 SCCCCCDW C33H47N9O12S5 921.1948 NA PeJP NA NA +PJ081512 SSSCCCCDD C29H47N9O17S4 921.1973 NA PeJP NA NA +PJ081513 CCCCNDMM C30H51N9O12S6 921.1982 NA PeJP NA NA +PJ081514 CCCCCCER C29H51N11O11S6 921.2094 NA PeJP NA NA +PJ081515 CCCCNDDF C33H47N9O14S4 921.2126 NA PeJP NA NA +PJ081516 ACCCCCMW C34H51N9O9S6 921.2134 NA PeJP NA NA +MetaCyc04315 7-methyl-3-oxooctanoyl-CoA [[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-2,2-dimethyl-3-[2-[2-(7-methyl-3-oxo-octanoyl) sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]-phosphinoyl]oxy- phosphinoyl]oxymethyl]tetrahydrofuran-3-yl]oxyphosphonic acid;] C30H50N7O18P3S1 921.214588 NA metacyc NA NA +C03685 7-Methyl-3-oxooctanoyl-CoA C30H50N7O18P3S 921.2146 NA KEGG NA NA +PJ081517 GSSCCCCEM C30H51N9O14S5 921.2159 NA PeJP NA NA +PJ081518 CCCCCNHH C31H47N13O10S5 921.2173 NA PeJP NA NA +PJ081519 SCCCNDDY C33H47N9O16S3 921.2303 NA PeJP NA NA +PJ081520 SSCCCCMW C34H51N9O11S5 921.2312 NA PeJP NA NA +PJ081521 SSSSCCCDM C30H51N9O16S4 921.2337 NA PeJP NA NA +PJ081522 SCCCNMMM C31H55N9O11S6 921.2346 NA PeJP NA NA +PJ081523 GPPCCCCCH C33H51N11O10S5 921.2424 NA PeJP NA NA +PJ081524 TCCCCCMR C30H55N11O10S6 921.2458 NA PeJP NA NA +PJ081525 GCCCNEMY C34H51N9O13S4 921.249 NA PeJP NA NA +HMDB06404 Decanoyl-CoA (n-C10:0CoA) C31H54N7O17P3S 921.250977 NA HMDB2010 NA NA +HMDB06404 Decanoyl-CoA (n-C10:0CoA) C31H54N7O17P3S 921.25098 http://www.hmdb.ca/metabolites/HMDB06404 HMDB NA NA +HMDB06404 Decanoyl-CoA (n-C10:0CoA) C31H54N7O17P3S 921.25098 HMDB06404 PFEM_hmdb_metabocards_official NA NA +C05274 Decanoyl-CoA C31H54N7O17P3S 921.251 NA KEGG NA NA +PJ081526 GSSTCCCMM C31H55N9O13S5 921.2523 NA PeJP NA NA +PJ081527 CCCNNNDH C31H47N13O14S3 921.2528 NA PeJP NA NA +PJ081528 SCCNDDEH C32H47N11O17S2 921.2593 NA PeJP NA NA +PJ081529 GCCCCDRY C33H51N11O12S4 921.2602 NA PeJP NA NA +PJ081530 CCCNMYW C38H51N9O10S4 921.2642 NA PeJP NA NA +PJ081531 PCNDDDDE C33H47N9O20S 921.2658 NA PeJP NA NA +PJ081532 GGPCDDDDE C33H47N9O20S 921.2659 NA PeJP NA NA +PJ081533 SSCCNDMY C34H51N9O15S3 921.2667 NA PeJP NA NA +PJ081534 PCCCCCKY C35H55N9O10S5 921.2676 NA PeJP NA NA +PJ081535 CDDDEYY C38H47N7O18S 921.2699 NA PeJP NA NA +PJ081536 SSSSSCCMM C31H55N9O15S4 921.2701 NA PeJP NA NA +PJ081537 TCCCCKMM C32H59N9O10S6 921.271 NA PeJP NA NA +PJ081538 CDEMMMY C36H55N7O13S4 921.2741 NA PeJP NA NA +PJ081539 GSCCDDHW C36H47N11O14S2 921.2746 NA PeJP NA NA +PJ081540 APCCCCHW C37H51N11O9S4 921.2755 NA PeJP NA NA +PJ081541 GSSSCDDDH C32H47N11O19S 921.2771 NA PeJP NA NA +PJ081542 GCNDDMMH C33H51N11O14S3 921.278 NA PeJP NA NA +PJ081543 GCCCCMFR C34H55N11O9S5 921.2788 NA PeJP NA NA +PJ081544 GPCDDDDW C37H47N9O17S 921.2811 NA PeJP NA NA +MetaCyc04316 dihydrocorphinate [] C42H51N6O14NI1 921.281673 NA metacyc NA NA +PJ081545 GSTCCCYW C38H51N9O12S3 921.282 NA PeJP NA NA +PJ081546 GNDDDEEE C33H47N9O22 921.2836 NA PeJP NA NA +PJ081547 GSSSSCCEY C34H51N9O17S2 921.2845 NA PeJP NA NA +PJ081548 GSCCQMMY C35H55N9O12S4 921.2853 NA PeJP NA NA +PJ081549 GPPPCCCDM C35H55N9O12S4 921.2854 NA PeJP NA NA +PJ081550 CNNNNNDD C31H47N13O18S 921.2883 NA PeJP NA NA +PJ081551 GGGGGGGGGGCDD C31H47N13O18S 921.2884 NA PeJP NA NA +PJ081552 CDDEMFY C39H51N7O15S2 921.2885 NA PeJP NA NA +PJ081553 GCCCDEHR C32H51N13O13S3 921.2892 NA PeJP NA NA +PJ081554 GCNDDDHF C36H47N11O16S 921.2923 NA PeJP NA NA +PJ081555 GGGCDDDHF C36H47N11O16S 921.2924 NA PeJP NA NA +PJ081556 CEMMMMF C37H59N7O10S5 921.2927 NA PeJP NA NA +PJ081557 CCNEMHW C37H51N11O11S3 921.2932 NA PeJP NA NA +PJ081558 SNNNDDDE C32H47N11O21 921.2948 NA PeJP NA NA +PJ081559 GDDDDDDR C32H47N11O21 921.2949 NA PeJP NA NA +PJ081560 SSCNDEMH C33H51N11O16S2 921.2957 NA PeJP NA NA +PJ081561 GSCCCMRY C34H55N11O11S4 921.2966 NA PeJP NA NA +PJ081562 GCCNDHHH C34H47N15O12S2 921.2971 NA PeJP NA NA +PJ081563 CCCNFFW C42H51N9O9S3 921.2972 NA PeJP NA NA +PJ081564 NDDDEEW C37H47N9O19 921.2989 NA PeJP NA NA +PJ081565 SSSSCCYW C38H51N9O14S2 921.2997 NA PeJP NA NA +PJ081566 SSSSSSCDY C34H51N9O19S 921.3022 NA PeJP NA NA +PJ081567 SSSCNMMY C35H55N9O14S3 921.3031 NA PeJP NA NA +PJ081568 GCCCKMMF C36H59N9O9S5 921.304 NA PeJP NA NA +PJ081569 CCCDHRW C36H51N13O10S3 921.3044 NA PeJP NA NA +PJ081570 SDDEMYY C39H51N7O17S 921.3062 NA PeJP NA NA +PJ081571 SSCCDDHR C32H51N13O15S2 921.3069 NA PeJP NA NA +PJ081572 GGGGGSSTCCH C32H51N13O15S2 921.307 NA PeJP NA NA +PJ081573 PCDMMYY C40H55N7O12S3 921.3071 NA PeJP NA NA +PJ081574 PTCCCCHR C33H55N13O10S4 921.3078 NA PeJP NA NA +PJ081575 GCCMHWW C41H51N11O8S3 921.3085 NA PeJP NA NA +PJ081576 EEEEEEE C35H51N7O22 921.3088 NA PeJP NA NA +PJ081577 GSNNDDDW C36H47N11O18 921.3101 NA PeJP NA NA +PJ081578 SEMMMMY C37H59N7O12S4 921.3105 NA PeJP NA NA +PJ081579 GSSCDMHW C37H51N11O13S2 921.311 NA PeJP NA NA +PJ081580 SPCDDDDR C33H51N11O18S 921.3135 NA PeJP NA NA +PJ081581 GDDDEWW C41H47N9O16 921.3141 NA PeJP NA NA +PJ081582 SSTCCCRY C34H55N11O13S3 921.3143 NA PeJP NA NA +PJ081583 GGGGAPPTCCC C34H55N11O13S3 921.3144 NA PeJP NA NA +PJ081584 GCCQYYW C42H51N9O11S2 921.315 NA PeJP NA NA +PJ081585 GSPDDDMW C38H51N9O16S 921.3175 NA PeJP NA NA +PJ081586 CNNMMFY C39H55N9O11S3 921.3183 NA PeJP NA NA +PJ081587 GPPCCEMW C39H55N9O11S3 921.3184 NA PeJP NA NA +PJ081588 GSNEEEEE C34H51N9O21 921.32 NA PeJP NA NA +PJ081589 GSSSSTCMY C35H55N9O16S2 921.3208 NA PeJP NA NA +PJ081590 GPNDEEMM C35H55N9O16S2 921.3209 NA PeJP NA NA +PJ081591 PCDDFYY C43H51N7O14S 921.3215 NA PeJP NA NA +PJ081592 GSCCKMMY C36H59N9O11S4 921.3217 NA PeJP NA NA +PJ081593 GCCNNQHF C36H51N13O12S2 921.3222 NA PeJP NA NA +PJ081594 GCNNDDER C32H51N13O17S 921.3247 NA PeJP NA NA +PJ081595 GEEMMYY C40H55N7O14S2 921.3249 NA PeJP NA NA +PJ081596 GSCCEMHR C33H55N13O12S3 921.3256 NA PeJP NA NA +PJ081597 PCMMMFY C41H59N7O9S4 921.3257 NA PeJP NA NA +PJ081598 STCCHWW C41H51N11O10S2 921.3262 NA PeJP NA NA +PJ081599 SSSSCEHW C37H51N11O15S 921.3287 NA PeJP NA NA +PJ081600 CLMMMMY C38H63N7O9S5 921.3291 NA PeJP NA NA +PJ081601 DDDWWW C45H47N9O13 921.3294 NA PeJP NA NA +PJ081602 SCQMMHW C38H55N11O10S3 921.3296 NA PeJP NA NA +PJ081603 GSDDDEER C33H51N11O20 921.3312 NA PeJP NA NA +PJ081604 GPCDDEMR C34H55N11O15S2 921.3321 NA PeJP NA NA +PJ081605 GNNNDDHH C34H47N15O16 921.3326 NA PeJP NA NA +PJ081606 SPCDEWW C42H51N9O13S 921.3327 NA PeJP NA NA +PJ081607 GGGGCDFFY C42H51N9O13S 921.3328 NA PeJP NA NA +PJ081608 NQMMMMH C35H59N11O10S4 921.333 NA PeJP NA NA +PJ081609 GSCNMHHH C35H51N15O11S2 921.3334 NA PeJP NA NA +PJ081610 PPCCMWW C43H55N9O8S3 921.3336 NA PeJP NA NA +PJ081611 SNEEEEW C38H51N9O18 921.3352 NA PeJP NA NA +PJ081612 GGSEEEEW C38H51N9O18 921.3353 NA PeJP NA NA +PJ081613 PNDEMMW C39H55N9O13S2 921.3361 NA PeJP NA NA +PJ081614 DDDHHHF C39H47N13O14 921.3366 NA PeJP NA NA +PJ081615 SSSSSSSMY C35H55N9O18S 921.3386 NA PeJP NA NA +PJ081616 SPDDYYY C43H51N7O16 921.3393 NA PeJP NA NA +PJ081617 SSTCCKMY C36H59N9O13S3 921.3395 NA PeJP NA NA +PJ081618 GSCNNNQW C36H51N13O14S 921.3399 NA PeJP NA NA +PJ081619 CNNDDRW C36H51N13O14S 921.34 NA PeJP NA NA +PJ081620 EMMYYW C44H55N7O11S2 921.3401 NA PeJP NA NA +PJ081621 SCCMHRW C37H55N13O9S3 921.3408 NA PeJP NA NA +PJ081622 CDHHHHH C37H47N17O10S 921.3413 NA PeJP NA NA +PJ081623 GSSSNNNNE C32H51N13O19 921.3424 NA PeJP NA NA +PJ081624 SSNNDDDR C32H51N13O19 921.3425 NA PeJP NA NA +PJ081625 STEEMYY C40H55N7O16S 921.3426 NA PeJP NA NA +PJ081626 SSSCDMHR C33H55N13O14S2 921.3433 NA PeJP NA NA +PJ081627 GGGGGGGGGQMM C33H55N13O14S2 921.3434 NA PeJP NA NA +PJ081628 SPMMMYY C41H59N7O11S3 921.3435 NA PeJP NA NA +PJ081629 GNNDMWW C41H51N11O12S 921.344 NA PeJP NA NA +PJ081630 CNMMMHR C34H59N13O9S4 921.3442 NA PeJP NA NA +PJ081631 SDDDERW C37H51N11O17 921.3465 NA PeJP NA NA +PJ081632 PCDDMRW C38H55N11O12S2 921.3473 NA PeJP NA NA +PJ081633 GGGSPCQMW C38H55N11O12S2 921.3474 NA PeJP NA NA +PJ081634 NDEEEMR C34H55N11O17S 921.3498 NA PeJP NA NA +PJ081635 GGDEEEMR C34H55N11O17S 921.3499 NA PeJP NA NA +PJ081636 GSEEEWW C42H51N9O15 921.3505 NA PeJP NA NA +PJ081637 SPPCCEMR C35H59N11O12S3 921.3507 NA PeJP NA NA +PJ081638 SSSCQHHH C35H51N15O13S 921.3512 NA PeJP NA NA +PJ081639 GPDMMWW C43H55N9O10S2 921.3514 NA PeJP NA NA +PJ081640 AQEEEMW C39H55N9O15S 921.3539 NA PeJP NA NA +PJ081641 DEFYYW C47H51N7O13 921.3545 NA PeJP NA NA +PJ081642 GCNNNNMR C32H55N15O13S2 921.3546 NA PeJP NA NA +PJ081643 GPPTCMMW C40H59N9O10S3 921.3547 NA PeJP NA NA +PJ081644 GAPPPCCMF C40H59N9O10S3 921.3548 NA PeJP NA NA +PJ081645 PCNEHHW C40H51N13O11S 921.3552 NA PeJP NA NA +PJ081646 GSDKEEEE C35H55N9O20 921.3564 NA PeJP NA NA +PJ081647 GPTQEEMM C36H59N9O15S2 921.3572 NA PeJP NA NA +PJ081648 GGAPTEEMM C36H59N9O15S2 921.3573 NA PeJP NA NA +PJ081649 SSSNNNNW C36H51N13O16 921.3577 NA PeJP NA NA +PJ081650 GGGGGGGGGGGEF C36H51N13O16 921.3578 NA PeJP NA NA +PJ081651 GPEMYYY C44H55N7O13S 921.3579 NA PeJP NA NA +PJ081652 LEMMMMH C37H63N9O10S4 921.3581 NA PeJP NA NA +PJ081653 GSPCCNRW C37H55N13O11S2 921.3586 NA PeJP NA NA +PJ081654 PCMMFFF C45H59N7O8S3 921.3588 NA PeJP NA NA +PJ081655 CNQWWW C45H51N11O9S 921.3592 NA PeJP NA NA +PJ081656 DDDDMRR C33H55N13O16S 921.3611 NA PeJP NA NA +PJ081657 SVEMMYY C41H59N7O13S2 921.3613 NA PeJP NA NA +PJ081658 SSNNEWW C41H51N11O14 921.3617 NA PeJP NA NA +PJ081659 GGGGGGPDYW C41H51N11O14 921.3618 NA PeJP NA NA +PJ081660 GSTCMMHR C34H59N13O11S3 921.362 NA PeJP NA NA +PJ081661 CLMMMFF C42H63N7O8S4 921.3621 NA PeJP NA NA +PJ081662 GNMMHFW C42H55N11O9S2 921.3626 NA PeJP NA NA +PJ081663 GDEEMRW C38H55N11O14S 921.3651 NA PeJP NA NA +PJ081664 NNYYYW C46H51N9O12 921.3657 NA PeJP NA NA +PJ081665 SEEWWW C46H51N9O12 921.3658 NA PeJP NA NA +PJ081666 SCKMMHW C39H59N11O9S3 921.366 NA PeJP NA NA +PJ081667 CNQHHHF C39H51N15O10S 921.3664 NA PeJP NA NA +PJ081668 GGCQHHHF C39H51N15O10S 921.3665 NA PeJP NA NA +PJ081669 GSSEEEER C34H55N11O19 921.3676 NA PeJP NA NA +PJ081670 GSPDEMMR C35H59N11O14S2 921.3685 NA PeJP NA NA +PJ081671 NDDEHHR C35H51N15O15 921.3689 NA PeJP NA NA +PJ081672 GGDDEHHR C35H51N15O15 921.369 NA PeJP NA NA +PJ081673 AAEEMWW C43H55N9O12S 921.3691 NA PeJP NA NA +PJ081674 NKMMMMH C36H63N11O9S4 921.3693 NA PeJP NA NA +PJ081675 GPPCMMMR C36H63N11O9S4 921.3694 NA PeJP NA NA +PJ081676 GTCCKHHH C36H55N15O10S2 921.3698 NA PeJP NA NA +PJ081677 GPCHHWW C44H51N13O8S 921.3705 NA PeJP NA NA +PJ081678 SDKEEEW C39H55N9O17 921.3716 NA PeJP NA NA +PJ081679 GSCNDDRR C32H55N15O15S 921.3723 NA PeJP NA NA +PJ081680 PTQEMMW C40H59N9O12S2 921.3725 NA PeJP NA NA +PJ081681 NNNNNFW C40H51N13O13 921.373 NA PeJP NA NA +PJ081682 PMYYYW C48H55N7O10S 921.3731 NA PeJP NA NA +PJ081683 GPCCCQRR C33H59N15O10S3 921.3732 NA PeJP NA NA +PJ081684 ACCHFRW C41H55N13O8S2 921.3738 NA PeJP NA NA +PJ081685 QKEEEEM C36H59N9O17S 921.375 NA PeJP NA NA +PJ081686 GVEEYYY C44H55N7O15 921.3756 NA PeJP NA NA +PJ081687 GPVQEMMM C37H63N9O12S3 921.3759 NA PeJP NA NA +PJ081688 SNNDMRW C37H55N13O13S 921.3763 NA PeJP NA NA +PJ081689 GGGGSDMRW C37H55N13O13S 921.3764 NA PeJP NA NA +PJ081690 APMMFYY C45H59N7O10S2 921.3765 NA PeJP NA NA +PJ081691 GSSNWWW C45H51N11O11 921.377 NA PeJP NA NA +PJ081692 VMMMHHH C38H59N13O8S3 921.3772 NA PeJP NA NA +PJ081693 SMHHHHH C38H51N17O9S 921.3777 NA PeJP NA NA +MJ097799 Taxol?; N-Debenzoyl, N-tigloyl, 10-de-Ac, 7-O-?-D-xylopyranoside C48H59NO17 921.378299 NA MeJP NA NA +PJ081694 SSSNNEER C33H55N13O18 921.3788 NA PeJP NA NA +PJ081695 GGGGSSSEER C33H55N13O18 921.3789 NA PeJP NA NA +PJ081696 SSSSMMHR C34H59N13O13S2 921.3797 NA PeJP NA NA +PJ081697 ALMMMYY C42H63N7O10S3 921.3799 NA PeJP NA NA +PJ081698 DEMRWW C42H55N11O11S 921.3804 NA PeJP NA NA +PJ081699 ASSSQQEW C38H55N11O16 921.3828 NA PeJP NA NA +PJ081700 SSEEERW C38H55N11O16 921.3829 NA PeJP NA NA +PJ081701 SPDMMRW C39H59N11O11S2 921.3837 NA PeJP NA NA +PJ081702 GGGGGGLMMW C39H59N11O11S2 921.3838 NA PeJP NA NA +PJ081703 GDDHHRW C39H51N15O12 921.3842 NA PeJP NA NA +PJ081704 VDMWWW C47H55N9O9S 921.3844 NA PeJP NA NA +PJ081705 TQEEEMR C35H59N11O16S 921.3862 NA PeJP NA NA +PJ081706 GGGGGTKEEM C35H59N11O16S 921.3863 NA PeJP NA NA +PJ081707 ATTEEWW C43H55N9O14 921.3869 NA PeJP NA NA +PJ081708 PQEMMMR C36H63N11O11S3 921.3871 NA PeJP NA NA +PJ081709 GSPCEHHR C36H55N15O12S 921.3876 NA PeJP NA NA +PJ081710 APTMMWW C44H59N9O9S2 921.3877 NA PeJP NA NA +PJ081711 PVTCMWW C44H59N9O9S2 921.3878 NA PeJP NA NA +PJ081712 QEHHWW C44H51N13O10 921.3882 NA PeJP NA NA +PJ081713 GSSSSNNNR C32H55N15O17 921.3901 NA PeJP NA NA +PJ081714 GSSSKMYY C40H59N9O14S 921.3902 NA PeJP NA NA +PJ081715 AKEEEMW C40H59N9O14S 921.3903 NA PeJP NA NA +PJ081716 VEYYYW C48H55N7O12 921.3909 NA PeJP NA NA +PJ081717 GGCNEMRR C33H59N15O12S2 921.391 NA PeJP NA NA +PJ081718 PVQMMMW C41H63N9O9S3 921.3911 NA PeJP NA NA +PJ081719 GSCQRWW C41H55N13O10S 921.3916 NA PeJP NA NA +PJ081720 STTLDQEE C36H59N9O19 921.3927 NA PeJP NA NA +PJ081721 GTTKEEEE C36H59N9O19 921.3928 NA PeJP NA NA +PJ081722 GPTKEEMM C37H63N9O14S2 921.3936 NA PeJP NA NA +PJ081723 GSSSNERW C37H55N13O15 921.3941 NA PeJP NA NA +PJ081724 SPVMYYY C45H59N7O12S 921.3943 NA PeJP NA NA +PJ081725 GPPKMMMM C38H67N9O9S4 921.3945 NA PeJP NA NA +PJ081726 GNQMMRW C38H59N13O10S2 921.395 NA PeJP NA NA +PJ081727 GSPNHHHH C38H51N17O11 921.3954 NA PeJP NA NA +PJ081728 GGGSPHHHH C38H51N17O11 921.3955 NA PeJP NA NA +PJ081729 CNKWWW C46H55N11O8S 921.3956 NA PeJP NA NA +PJ081730 SDEEMRR C34H59N13O15S 921.3975 NA PeJP NA NA +PJ081731 TTLMMYY C42H63N7O12S2 921.3976 NA PeJP NA NA +PJ081732 SSNDKWW C42H55N11O13 921.3981 NA PeJP NA NA +PJ081733 PCEMMRR C35H63N13O10S3 921.3983 NA PeJP NA NA +PJ081734 GGAPCCKMR C35H63N13O10S3 921.3984 NA PeJP NA NA +PJ081735 NNNMHHR C35H55N17O11S 921.3988 NA PeJP NA NA +PJ081736 ACKMHFW C43H59N11O8S2 921.399 NA PeJP NA NA +PJ081737 ATEEMRW C39H59N11O13S 921.4015 NA PeJP NA NA +PJ081738 AAPEYWW C47H55N9O11 921.4021 NA PeJP NA NA +PJ081739 GGPPDFFW C47H55N9O11 921.4022 NA PeJP NA NA +PJ081740 APMMMRW C40H63N11O8S3 921.4024 NA PeJP NA NA +PJ081741 SPCHHRW C40H55N15O9S 921.4028 NA PeJP NA NA +PJ081742 AHHWWW C48H51N13O7 921.4035 NA PeJP NA NA +PJ081743 GTTTEEER C35H59N11O18 921.404 NA PeJP NA NA +PJ081744 QQQKEMM C36H63N11O13S2 921.4048 NA PeJP NA NA +PJ081745 VQEEMMR C36H63N11O13S2 921.4049 NA PeJP NA NA +PJ081746 NNNNQRY C36H55N15O14 921.4053 NA PeJP NA NA +PJ081747 GGGGGGGGQRY C36H55N15O14 921.4054 NA PeJP NA NA +PJ081748 GTLEMWW C44H59N9O11S 921.4055 NA PeJP NA NA +PJ081749 PFFYYW C52H55N7O9 921.4062 NA PeJP NA NA +PJ081750 TTKEEEW C40H59N9O16 921.408 NA PeJP NA NA +PJ081751 GSSNDMRR C33H59N15O14S 921.4087 NA PeJP NA NA +PJ081752 PTKEMMW C41H63N9O11S2 921.4089 NA PeJP NA NA +PJ081753 SSSNRWW C41H55N13O12 921.4093 NA PeJP NA NA +PJ081754 GGSSSRWW C41H55N13O12 921.4094 NA PeJP NA NA +PJ081755 LMFYYW C49H59N7O9S 921.4095 NA PeJP NA NA +PJ081756 GPCCCKRR C34H63N15O9S3 921.4096 NA PeJP NA NA +PJ081757 AHHHHHF C42H51N17O8 921.4107 NA PeJP NA NA +PJ081758 KKEEEEM C37H63N9O16S 921.4114 NA PeJP NA NA +PJ081759 ATLEYYY C45H59N7O14 921.412 NA PeJP NA NA +PJ081760 SPPTKMMM C38H67N9O11S3 921.4122 NA PeJP NA NA +PJ081761 GPVKEMMM C38H67N9O11S3 921.4123 NA PeJP NA NA +PJ081762 SSQQMRW C38H59N13O12S 921.4127 NA PeJP NA NA +PJ081763 GGGGGGPPVMH C38H59N13O12S 921.4128 NA PeJP NA NA +PJ081764 ALMMFFY C46H63N7O9S2 921.4129 NA PeJP NA NA +PJ081765 PDRYWW C46H55N11O10 921.4134 NA PeJP NA NA +PJ081766 SSSNDKER C34H59N13O17 921.4152 NA PeJP NA NA +PJ081767 AEEMMRR C35H63N13O12S2 921.4161 NA PeJP NA NA +PJ081768 SDDHHRR C35H55N17O13 921.4166 NA PeJP NA NA +PJ081769 GSQKMWW C43H59N11O10S 921.4167 NA PeJP NA NA +PJ081770 GGGTKMWW C43H59N11O10S 921.4168 NA PeJP NA NA +PJ081771 PTFWWW C51H55N9O8 921.4174 NA PeJP NA NA +PJ081772 TTTEERW C39H59N11O15 921.4192 NA PeJP NA NA +PJ081773 GGASSTKEW C39H59N11O15 921.4193 NA PeJP NA NA +PJ081774 GLEMMRW C40H63N11O10S2 921.4201 NA PeJP NA NA +PJ081775 GTEHHRW C40H55N15O11 921.4206 NA PeJP NA NA +PJ081776 TLMWWW C48H59N9O8S 921.4208 NA PeJP NA NA +PJ081777 TKEEEMR C36H63N11O15S 921.4226 NA PeJP NA NA +PJ081778 STTLEWW C44H59N9O13 921.4233 NA PeJP NA NA +PJ081779 PKEMMMR C37H67N11O10S3 921.4235 NA PeJP NA NA +PJ081780 SSCQRRW C37H59N15O11S 921.4239 NA PeJP NA NA +PJ081781 GGSTCRRW C37H59N15O11S 921.424 NA PeJP NA NA +PJ081782 GVLMMWW C45H63N9O8S2 921.4241 NA PeJP NA NA +PJ081783 NNFRWW C45H55N13O9 921.4246 NA PeJP NA NA +PJ081784 SSSSNERR C33H59N15O16 921.4265 NA PeJP NA NA +PJ081785 SLKEEMW C41H63N9O13S 921.4266 NA PeJP NA NA +PJ081786 AAAAPVEMY C41H63N9O13S 921.4267 NA PeJP NA NA +PJ081787 GPLFYYY C49H59N7O11 921.4273 NA PeJP NA NA +PJ081788 GGGGGCCKKR C34H63N15O11S2 921.4274 NA PeJP NA NA +PJ081789 PVKMMMW C42H67N9O8S3 921.4275 NA PeJP NA NA +PJ081790 GSCKRWW C42H59N13O9S 921.428 NA PeJP NA NA +PJ081791 SSTLKEEE C37H63N9O18 921.4291 NA PeJP NA NA +PJ081792 AALKEEMM C38H67N9O13S2 921.43 NA PeJP NA NA +PJ081793 GSSSDKRW C38H59N13O14 921.4305 NA PeJP NA NA +PJ081794 AVLMYYY C46H63N7O11S 921.4306 NA PeJP NA NA +PJ081795 GLLMYYY C46H63N7O11S 921.4307 NA PeJP NA NA +PJ081796 ACQKMRW C39H63N13O9S2 921.4313 NA PeJP NA NA +PJ081797 GNKMMRW C39H63N13O9S2 921.4314 NA PeJP NA NA +PJ081798 VQQHHHH C39H55N17O10 921.4318 NA PeJP NA NA +PJ081799 PMFRWW C47H59N11O7S 921.432 NA PeJP NA NA +PJ081800 TTEEMRR C35H63N13O14S 921.4338 NA PeJP NA NA +PJ081801 GSSQKEMR C35H63N13O14S 921.4339 NA PeJP NA NA +PJ081802 SSTQKWW C43H59N11O12 921.4345 NA PeJP NA NA +PJ081803 PTMMMRR C36H67N13O9S3 921.4347 NA PeJP NA NA +PJ081804 GEMHHRR C36H59N17O10S 921.4352 NA PeJP NA NA +PJ081805 LMMRWW C44H63N11O7S2 921.4354 NA PeJP NA NA +PJ081806 THHRWW C44H55N15O8 921.4358 NA PeJP NA NA +PJ081807 STLEMRW C40H63N11O12S 921.4379 NA PeJP NA NA +PJ081808 GPTLYWW C48H59N9O10 921.4385 NA PeJP NA NA +PJ081809 SCNMRRR C33H63N17O10S2 921.4386 NA PeJP NA NA +PJ081810 GVMHHRW C41H59N15O8S 921.4392 NA PeJP NA NA +PJ081811 SSTTLEER C36H63N11O17 921.4404 NA PeJP NA NA +3133 ester transferases inhibitor RMWYVPA 921.4404 celiac toxic Inhouse_peptide NA peptide +PJ081812 VKEEMMR C37H67N11O12S2 921.4412 NA PeJP NA NA +PJ081813 AATLEMMR C37H67N11O12S2 921.4413 NA PeJP NA NA +PJ081814 GSSSSRRW C37H59N15O13 921.4417 NA PeJP NA NA +PJ081815 GGGGGGGGPPPR C37H59N15O13 921.4418 NA PeJP NA NA +PJ081816 SSLLMWW C45H63N9O10S 921.4419 NA PeJP NA NA +PJ081817 LFFFYW C53H59N7O8 921.4425 NA PeJP NA NA +PJ081818 ACCKRRW C38H63N15O8S2 921.4426 NA PeJP NA NA +PJ081819 AQHHHHR C38H55N19O9 921.4431 NA PeJP NA NA +PJ081820 SSSTLLEW C41H63N9O15 921.4444 NA PeJP NA NA +PJ081821 GSSTQMRR C34H63N15O13S 921.4451 NA PeJP NA NA +PJ081822 VVKEMMW C42H67N9O10S2 921.4453 NA PeJP NA NA +PJ081823 AAQQRYW C42H59N13O11 921.4457 NA PeJP NA NA +PJ081824 GGGGGLRYW C42H59N13O11 921.4458 NA PeJP NA NA +PJ081825 ALMFFFF C50H63N7O8S 921.4459 NA PeJP NA NA +PJ081826 ATTLKEEM C38H67N9O15S 921.4478 NA PeJP NA NA +PJ081827 STLLYYY C46H63N7O13 921.4484 NA PeJP NA NA +PJ081828 APTLKMMM C39H71N9O10S3 921.4486 NA PeJP NA NA +PJ081829 GGGLLLMMM C39H71N9O10S3 921.4487 NA PeJP NA NA +PJ081830 SSQKMRW C39H63N13O11S 921.4491 NA PeJP NA NA +PJ081831 VEFRWW C47H59N11O9 921.4498 NA PeJP NA NA +PJ081832 MHHRRW C40H59N17O7S 921.4505 NA PeJP NA NA +PJ081833 SSSTQKER C35H63N13O16 921.4516 NA PeJP NA NA +PJ081834 SLEMMRR C36H67N13O11S2 921.4525 NA PeJP NA NA +PJ081835 STEHHRR C36H59N17O12 921.4529 NA PeJP NA NA +PJ081836 PNNEHRR C36H59N17O12 921.453 NA PeJP NA NA +PJ081837 GSKKMWW C44H63N11O9S 921.4531 NA PeJP NA NA +PJ081838 VVFWWW C52H59N9O7 921.4538 NA PeJP NA NA +PJ081839 GSSTKKEW C40H63N11O14 921.4556 NA PeJP NA NA +PJ081840 GGGGAALKEY C40H63N11O14 921.4557 NA PeJP NA NA +PJ081841 GSSTCRRR C33H63N17O12S 921.4563 NA PeJP NA NA +PJ081842 SVLMMRW C41H67N11O9S2 921.4565 NA PeJP NA NA +PJ081843 NQRRYW C41H59N15O10 921.457 NA PeJP NA NA +PJ081844 SSSLLEMR C37H67N11O14S 921.459 NA PeJP NA NA +PJ081845 SPLKEYW C45H63N9O12 921.4596 NA PeJP NA NA +PJ081846 PVTKEYW C45H63N9O12 921.4597 NA PeJP NA NA +PJ081847 LLQMMMR C38H71N11O9S3 921.4599 NA PeJP NA NA +PJ081848 SSCKRRW C38H63N15O10S 921.4603 NA PeJP NA NA +PJ081849 GGAQMFRR C38H63N15O10S 921.4604 NA PeJP NA NA +PJ081850 APKHHFW C46H59N13O8 921.461 NA PeJP NA NA +PJ081851 SSSSDKRR C34H63N15O15 921.4628 NA PeJP NA NA +PJ081852 GTTTLLMW C42H67N9O12S 921.463 NA PeJP NA NA +PJ081853 GLLFFYY C50H63N7O10 921.4637 NA PeJP NA NA +PJ081854 PPVMHRW C43H63N13O8S 921.4644 NA PeJP NA NA +PJ081855 TTTTLKEE C38H67N9O17 921.4655 NA PeJP NA NA +PJ081856 GTLLKEMM C39H71N9O12S2 921.4664 NA PeJP NA NA +PJ081857 GSSTTKRW C39H63N13O13 921.4669 NA PeJP NA NA +PJ081858 ACKKMRW C40H67N13O8S2 921.4677 NA PeJP NA NA +PJ081859 GPNHRRW C40H59N17O9 921.4682 NA PeJP NA NA +PJ081860 GSSKKEMR C36H67N13O13S 921.4702 NA PeJP NA NA +PJ081861 GGGGSTCKKK C36H67N13O13S 921.4703 NA PeJP NA NA +PJ081862 SSTKKWW C44H63N11O11 921.4709 NA PeJP NA NA +PJ081863 VVMMMRR C37H71N13O8S3 921.4711 NA PeJP NA NA +PJ081864 GCQFRRR C37H63N17O9S 921.4716 NA PeJP NA NA +MJ097800 Candidin C47H71NO17 921.472199 NA MeJP NA NA +MJ097801 Mycoheptin C47H71NO17 921.472199 NA MeJP NA NA +PJ081865 SSSSSRRR C33H63N17O14 921.4741 NA PeJP NA NA +PJ081866 SDKKKMW C41H67N11O11S 921.4743 NA PeJP NA NA +PJ081867 AALLYWW C49H63N9O9 921.4749 NA PeJP NA NA +PJ081868 TCCKRRR C34H67N17O9S2 921.475 NA PeJP NA NA +PJ081869 STTTQKKE C37H67N11O16 921.4767 NA PeJP NA NA +PJ081870 TTTTTLER C37H67N11O16 921.4768 NA PeJP NA NA +PJ081871 GTTLLMMR C38H71N11O11S2 921.4776 NA PeJP NA NA +PJ081872 GNKERRY C38H63N15O12 921.4781 NA PeJP NA NA +PJ081873 PVVKMYW C46H67N9O9S 921.4783 NA PeJP NA NA +PJ081874 AKHHHHR C39H59N19O8 921.4795 NA PeJP NA NA +PJ081875 STTTTLLW C42H67N9O14 921.4808 NA PeJP NA NA +PJ081876 GSSTKMRR C35H67N15O12S 921.4815 NA PeJP NA NA +PJ081877 TLLKMMW C43H71N9O9S2 921.4817 NA PeJP NA NA +PJ081878 LERRYW C43H63N13O10 921.4821 NA PeJP NA NA +PJ081879 ASSSTILLM C39H71N9O14S 921.4841 NA PeJP NA NA +PJ081880 STTLLKEM C39H71N9O14S 921.4842 NA PeJP NA NA +PJ081881 GVLLKMMM C40H75N9O9S3 921.485 NA PeJP NA NA +PJ081882 SSKKMRW C40H67N13O10S 921.4855 NA PeJP NA NA +PJ081883 VLRYWW C48H63N11O8 921.4861 NA PeJP NA NA +PJ081884 GAKKFWW C48H63N11O8 921.4862 NA PeJP NA NA +PJ081885 SSSTKKER C36H67N13O15 921.488 NA PeJP NA NA +PJ081886 TQKKMMR C37H71N13O10S2 921.4889 NA PeJP NA NA +PJ081887 GSQRRRY C37H63N17O11 921.4893 NA PeJP NA NA +PJ081888 GGPDKHRR C37H63N17O11 921.4894 NA PeJP NA NA +PJ081889 GLLMFRW C45H67N11O8S 921.4895 NA PeJP NA NA +PJ081890 SSSSLKKW C41H67N11O13 921.492 NA PeJP NA NA +PJ081891 AKKKMMW C42H71N11O8S2 921.4929 NA PeJP NA NA +PJ081892 NKRRYW C42H63N15O9 921.4934 NA PeJP NA NA +PJ081893 STTTLLMR C38H71N11O13S 921.4954 NA PeJP NA NA +PJ081894 ALLKEYW C46H67N9O11 921.496 NA PeJP NA NA +PJ081895 PPPVVVEW C46H67N9O11 921.4961 NA PeJP NA NA +PJ081896 LLKMMMR C39H75N11O8S3 921.4963 NA PeJP NA NA +PJ081897 GQKMFRR C39H67N15O9S 921.4967 NA PeJP NA NA +PJ081898 SSSTTKRR C35H67N15O14 921.4992 NA PeJP NA NA +PJ081899 GPTLLKMY C43H71N9O11S 921.4994 NA PeJP NA NA +PJ081900 TCKKMRR C36H71N15O9S2 921.5001 NA PeJP NA NA +PJ081901 SPNHRRR C36H63N19O10 921.5006 NA PeJP NA NA +PJ081902 SSSTTTLLL C39H71N9O16 921.5019 NA PeJP NA NA +PJ081903 SSLLLKMM C40H75N9O11S2 921.5028 NA PeJP NA NA +PJ081904 SVLERRY C40H67N13O12 921.5032 NA PeJP NA NA +PJ081905 VVTERRY C40H67N13O12 921.5033 NA PeJP NA NA +PJ081906 GLHHFRR C41H63N17O8 921.5046 NA PeJP NA NA +PJ081907 GTTTKKMR C37H71N13O12S 921.5066 NA PeJP NA NA +PJ081908 ATLLRYW C45H67N11O10 921.5073 NA PeJP NA NA +PJ081909 GCKFRRR C38H67N17O8S 921.508 NA PeJP NA NA +PJ081910 TTKKKMW C42H71N11O10S 921.5106 NA PeJP NA NA +PJ081911 GGLLLMRY C42H71N11O10S 921.5107 NA PeJP NA NA +PJ081912 PVVKFFW C50H67N9O8 921.5113 NA PeJP NA NA +PJ081913 STTTKKKE C38H71N11O15 921.5131 NA PeJP NA NA +PJ081914 KKKKEMM C39H75N11O10S2 921.514 NA PeJP NA NA +PJ081915 GDKKRRY C39H67N15O11 921.5145 NA PeJP NA NA +PJ081916 VVLKMFW C47H71N9O8S 921.5147 NA PeJP NA NA +PJ081917 LLKKEEY C43H71N9O13 921.5172 NA PeJP NA NA +PJ081918 AAKKRYW C44H67N13O9 921.5185 NA PeJP NA NA +PJ081919 ALLMRRY C41H71N13O9S 921.5219 NA PeJP NA NA +PJ081920 KKKFWW C49H67N11O7 921.5225 NA PeJP NA NA +PJ081921 STTTTKKR C37H71N13O14 921.5244 NA PeJP NA NA +PJ081922 TKKKMMR C38H75N13O9S2 921.5253 NA PeJP NA NA +PJ081923 GSKRRRY C38H67N17O10 921.5257 NA PeJP NA NA +MJ097802 Boromycin; N-Ac C47H76BNO16 921.525715 NA MeJP NA NA +PJ081924 TLLKERY C42H71N11O12 921.5284 NA PeJP NA NA +PJ081925 APKKHRW C43H67N15O8 921.5297 NA PeJP NA NA +PJ081926 PPLHFRR C43H67N15O8 921.5298 NA PeJP NA NA +PJ081927 SSTLKKKM C39H75N11O12S 921.5318 NA PeJP NA NA +PJ081928 SLLLKYW C47H71N9O10 921.5324 NA PeJP NA NA +PJ081929 GKKMFRR C40H71N15O8S 921.5331 NA PeJP NA NA +PJ081930 AALLLKMY C44H75N9O10S 921.5358 NA PeJP NA NA +PJ081931 GLQHRRR C37H67N19O9 921.537 NA PeJP NA NA +PJ081932 TTLLRRY C41H71N13O11 921.5396 NA PeJP NA NA +PJ081933 GGGGKKKKY C41H71N13O11 921.5397 NA PeJP NA NA +PJ081934 GLKKKYW C46H71N11O9 921.5437 NA PeJP NA NA +PJ081935 VLLKMRY C43H75N11O9S 921.547 NA PeJP NA NA +PJ081936 AAHRRRR C36H67N21O8 921.5482 NA PeJP NA NA +PJ081937 ATKKRRY C40H71N15O10 921.5509 NA PeJP NA NA +PJ081938 ATTLLLKY C44H75N9O12 921.5535 NA PeJP NA NA +PJ081939 SSVLLLKY C44H75N9O12 921.5536 NA PeJP NA NA +PJ081940 VVLLHRW C45H71N13O8 921.5549 NA PeJP NA NA +PJ081941 CLKKKFR C42H75N13O8S 921.5583 NA PeJP NA NA +PJ081942 PPLQRRR C39H71N17O9 921.5621 NA PeJP NA NA +PJ081943 VKKKKEY C43H75N11O11 921.5648 NA PeJP NA NA +PJ081944 APPLLLLW C48H75N9O9 921.5688 NA PeJP NA NA +PJ081945 GLKHRRR C38H71N19O8 921.5734 NA PeJP NA NA +PJ081946 SLKKKRY C42H75N13O10 921.576 NA PeJP NA NA +PJ081947 VLLKFFR C47H75N11O8 921.58 NA PeJP NA NA +PJ081948 LLLLKHW C47H75N11O8 921.5801 NA PeJP NA NA +PJ081949 LKKKKMF C44H79N11O8S 921.5834 NA PeJP NA NA +PJ081950 GPPVLKRR C41H75N15O9 921.5873 NA PeJP NA NA +PJ081951 ASPPVLLLL C45H79N9O11 921.5899 NA PeJP NA NA +PJ081952 PPLLLLKE C45H79N9O11 921.59 NA PeJP NA NA +MJ097803 1,2-Di-O-acylglycerols; Glycerol 1,2-di-(9Z,12Z,15Z-octadecatrienoate), 3-O-[[3-(4-Hydroxyphenyl)propanoyl]-(?6)-6-amino-6-deoxy-?-D-glucopyranoside] C54H83NO11 921.596612 NA MeJP NA NA +PJ081953 PPLKRRR C40H75N17O8 921.5985 NA PeJP NA NA +PJ081954 PPTLLLLR C44H79N11O10 921.6012 NA PeJP NA NA +PJ081955 APPLLKKR C43H79N13O9 921.6124 NA PeJP NA NA +PJ081956 LLKKKHR C42H79N15O8 921.6236 NA PeJP NA NA +PJ081957 PLLLLLLQ C46H83N9O10 921.6263 NA PeJP NA NA +PJ081958 PVVLLLLR C45H83N11O9 921.6376 NA PeJP NA NA +PJ081959 PLLLLLLK C47H87N9O9 921.6627 NA PeJP NA NA +HMDB08650 PC(22:4(7Z,10Z,13Z,16Z)/24:0) C54H100NO8P 921.718628 NA HMDB2010 NA NA +HMDB08778 PC(24:0/22:4(7Z,10Z,13Z,16Z)) C54H100NO8P 921.718628 NA HMDB2010 NA NA +MJ097804 Amarulone C40H26O26 922.071231 NA MeJP NA NA +PJ081960 GCCCCCCND C28H46N10O13S6 922.1571 NA PeJP NA NA +PJ081961 CCCCDDMM C30H50N8O13S6 922.1822 NA PeJP NA NA +PJ081962 GSCCCCCNM C29H50N10O12S6 922.1934 NA PeJP NA NA +MJ097805 3,3',4',5,7-Pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan-4-acetic acid C47H38O20 922.195643 NA MeJP NA NA +PJ081963 CCCCDDDF C33H46N8O15S4 922.1966 NA PeJP NA NA +PJ081964 CCCCCDHH C31H46N12O11S5 922.2013 NA PeJP NA NA +PJ081965 SSSCCCCCQ C29H50N10O14S5 922.2112 NA PeJP NA NA +PJ081966 SCCCDDDY C33H46N8O17S3 922.2143 NA PeJP NA NA +PJ081967 PCCCCCEY C34H50N8O12S5 922.2152 NA PeJP NA NA +PJ081968 SCCCDMMM C31H54N8O12S6 922.2186 NA PeJP NA NA +PJ081969 CCCCCNQF C33H50N10O11S5 922.2264 NA PeJP NA NA +PJ081970 GGCCCCCQF C33H50N10O11S5 922.2265 NA PeJP NA NA +PJ081971 GSSSSSCCCC C29H50N10O16S4 922.2289 NA PeJP NA NA +PJ081972 GTCCCCCCK C30H54N10O11S6 922.2298 NA PeJP NA NA +PJ081973 GCCCDEMY C34H50N8O14S4 922.233 NA PeJP NA NA +PJ081974 CCCNNDDH C31H46N12O15S3 922.2368 NA PeJP NA NA +PJ081975 ACCCMMMM C32H58N8O9S7 922.2372 NA PeJP NA NA +PJ081976 SCCCCMHH C32H50N12O10S5 922.2377 NA PeJP NA NA +PJ081977 SCCDDDEH C32H46N10O18S2 922.2433 NA PeJP NA NA +PJ081978 SCCCCNQY C33H50N10O13S4 922.2442 NA PeJP NA NA +PJ081979 SSSCCCCCK C30H54N10O13S5 922.2476 NA PeJP NA NA +PJ081980 CCCDMYW C38H50N8O11S4 922.2482 NA PeJP NA NA +PJ081981 PCDDDDDE C33H46N8O21S 922.2499 NA PeJP NA NA +PJ081982 SSCCDDMY C34H50N8O16S3 922.2507 NA PeJP NA NA +PJ081983 PTCCCCMY C35H54N8O11S5 922.2516 NA PeJP NA NA +PJ081984 SSCCMMMM C32H58N8O11S6 922.255 NA PeJP NA NA +PJ081985 GSPCCCCNH C32H50N12O12S4 922.2554 NA PeJP NA NA +PJ081986 GGGSPCCCCH C32H50N12O12S4 922.2555 NA PeJP NA NA +PJ081987 GSSSCCCNY C33H50N10O15S3 922.262 NA PeJP NA NA +MJ097806 Caraganaphenol A C56H42O13 922.262541 NA MeJP NA NA +PJ081988 CCCCCNKF C34H54N10O10S5 922.2628 NA PeJP NA NA +PJ081989 GPCCCDYY C38H50N8O13S3 922.266 NA PeJP NA NA +PJ081990 CCCMMFW C39H54N8O8S5 922.2669 NA PeJP NA NA +PJ081991 GDDDDEEE C33H46N8O23 922.2676 NA PeJP NA NA +PJ081992 GSCCEMMY C35H54N8O13S4 922.2694 NA PeJP NA NA +PJ081993 ACCCCHHF C36H50N12O9S4 922.2707 NA PeJP NA NA +PJ081994 CNNNNDDD C31H46N12O19S 922.2723 NA PeJP NA NA +PJ081995 GGGGGGCNDDD C31H46N12O19S 922.2724 NA PeJP NA NA +PJ081996 SCCNNDMH C32H50N12O14S3 922.2732 NA PeJP NA NA +PJ081997 GCDDDDHF C36H46N10O17S 922.2764 NA PeJP NA NA +PJ081998 CCDEMHW C37H50N10O12S3 922.2772 NA PeJP NA NA +PJ081999 SNNDDDDE C32H46N10O22 922.2789 NA PeJP NA NA +PJ082000 SSCDDEMH C33H50N10O17S2 922.2797 NA PeJP NA NA +PJ082001 SCCCCNKY C34H54N10O12S4 922.2806 NA PeJP NA NA +PJ082002 GCCDDHHH C34H46N14O13S2 922.2811 NA PeJP NA NA +PJ082003 CCCDFFW C42H50N8O10S3 922.2812 NA PeJP NA NA +PJ082004 DDDDEEW C37H46N8O20 922.2829 NA PeJP NA NA +PJ082005 CNDDMYY C38H50N8O15S2 922.2837 NA PeJP NA NA +PJ082006 SCCMMYW C39H54N8O10S4 922.2846 NA PeJP NA NA +PJ082007 SPDDDDEM C34H50N8O20S 922.2862 NA PeJP NA NA +PJ082008 PTDDDDDM C34H50N8O20S 922.2863 NA PeJP NA NA +PJ082009 SSSCDMMY C35H54N8O15S3 922.2871 NA PeJP NA NA +PJ082010 CNMMMMY C36H58N8O10S5 922.288 NA PeJP NA NA +PJ082011 GSCCCQHW C36H50N12O11S3 922.2885 NA PeJP NA NA +PJ082012 GSSSCCNEH C32H50N12O16S2 922.291 NA PeJP NA NA +PJ082013 GCCNQMMH C33H54N12O11S4 922.2918 NA PeJP NA NA +PJ082014 GSNDDDDW C36H46N10O19 922.2941 NA PeJP NA NA +PJ082015 GPCCNDEW C37H50N10O14S2 922.295 NA PeJP NA NA +PJ082016 GNNDDEEM C33H50N10O19S 922.2975 NA PeJP NA NA +PJ082017 ASPPCCCNE C34H54N10O14S3 922.2983 NA PeJP NA NA +PJ082018 GSDDMMMH C34H54N10O14S3 922.2984 NA PeJP NA NA +PJ082019 GCCEYYW C42H50N8O12S2 922.299 NA PeJP NA NA +PJ082020 APCCMMMH C35H58N10O9S5 922.2992 NA PeJP NA NA +PJ082021 SPCCCHHH C35H50N14O10S3 922.2997 NA PeJP NA NA +PJ082022 GSSCDEYY C38H50N8O17S 922.3015 NA PeJP NA NA +PJ082023 CCNNNNNQ C31H50N14O15S2 922.3022 NA PeJP NA NA +PJ082024 GSPCCMYY C39H54N8O12S3 922.3024 NA PeJP NA NA +PJ082025 GCCCNMHR C32H54N14O10S4 922.3031 NA PeJP NA NA +PJ082026 GSDEEEEE C34H50N8O22 922.304 NA PeJP NA NA +PJ082027 GPDDEEMM C35H54N8O17S2 922.3049 NA PeJP NA NA +PJ082028 GSTCMMMY C36H58N8O12S4 922.3057 NA PeJP NA NA +PJ082029 SSSCCNHW C36H50N12O13S2 922.3062 NA PeJP NA NA +PJ082030 GCNDDDER C32H50N12O18S 922.3087 NA PeJP NA NA +PJ082031 SSCNNMMH C33H54N12O13S3 922.3096 NA PeJP NA NA +PJ082032 PCCNDWW C41H50N10O11S2 922.3102 NA PeJP NA NA +FL5FABGI0023 Epimedokoreanoside I C43H54O22 922.31067 130756-11-5 knapsack NA NA +MJ097807 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[2-O-acetyl-?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C43H54O22 922.310673 NA MeJP NA NA +MJ097808 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[6-O-acetyl-?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C43H54O22 922.310673 NA MeJP NA NA +MJ097809 Sambacolignoside C43H54O22 922.310673 NA MeJP NA NA +PJ082033 NNDDEMW C37H50N10O16S 922.3127 NA PeJP NA NA +PJ082034 GGGGDDEMW C37H50N10O16S 922.3128 NA PeJP NA NA +PJ082035 SCEMMHW C38H54N10O11S3 922.3136 NA PeJP NA NA +PJ082036 CCYYWW C46H50N8O9S2 922.3142 NA PeJP NA NA +PJ082037 SSNNDEEE C33H50N10O21 922.3152 NA PeJP NA NA +PJ082038 GGGGSSDEEE C33H50N10O21 922.3153 NA PeJP NA NA +PJ082039 SSSDEMMH C34H54N10O16S2 922.3161 NA PeJP NA NA +PJ082040 GNNDDDHH C34H46N14O17 922.3166 NA PeJP NA NA +PJ082041 SSCDYYW C42H50N8O14S 922.3167 NA PeJP NA NA +PJ082042 CNDDFFY C42H50N8O14S 922.3168 NA PeJP NA NA +PJ082043 NEMMMMH C35H58N10O11S4 922.317 NA PeJP NA NA +PJ082044 ASCCEHHH C35H50N14O12S2 922.3174 NA PeJP NA NA +PJ082045 GSCDMHHH C35H50N14O12S2 922.3175 NA PeJP NA NA +PJ082046 ACCMFYW C43H54N8O9S3 922.3176 NA PeJP NA NA +PJ082047 SSSSDDYY C38H50N8O19 922.3192 NA PeJP NA NA +PJ082048 SDEEEEW C38H50N8O19 922.3193 NA PeJP NA NA +PJ082049 GSSCNNNNN C31H50N14O17S 922.3199 NA PeJP NA NA +PJ082050 GGGGGSSCNNN C31H50N14O17S 922.32 NA PeJP NA NA +PJ082051 PDDEMMW C39H54N8O14S2 922.3201 NA PeJP NA NA +PJ082052 SSCCCQHR C32H54N14O12S3 922.3208 NA PeJP NA NA +PJ082053 CNMMMFF C40H58N8O9S4 922.321 NA PeJP NA NA +PJ082054 CCNNHFW C40H50N12O10S2 922.3215 NA PeJP NA NA +PJ082055 QEEEEEM C35H54N8O19S 922.3226 NA PeJP NA NA +PJ082056 SSSSMMMY C36H58N8O14S3 922.3235 NA PeJP NA NA +PJ082057 CNDDDRW C36H50N12O15S 922.324 NA PeJP NA NA +PJ082058 GSCCCKHW C37H54N12O10S3 922.3248 NA PeJP NA NA +PJ082059 SSNDDDDR C32H50N12O20 922.3265 NA PeJP NA NA +PJ082060 SPCCNDER C33H54N12O15S2 922.3273 NA PeJP NA NA +PJ082061 GGSPCCDER C33H54N12O15S2 922.3274 NA PeJP NA NA +PJ082062 GNDDMWW C41H50N10O13S 922.328 NA PeJP NA NA +PJ082063 CDMMMHR C34H58N12O10S4 922.3282 NA PeJP NA NA +PJ082064 PCCMHFW C42H54N10O8S3 922.3289 NA PeJP NA NA +PJ082065 GSSNDEEW C37H50N10O18 922.3305 NA PeJP NA NA +PJ082066 GSPCNEMW C38H54N10O13S2 922.3314 NA PeJP NA NA +PJ082067 GMMMMHW C39H58N10O8S4 922.3322 NA PeJP NA NA +PJ082068 TCCHHHW C39H50N14O9S2 922.3327 NA PeJP NA NA +PJ082069 DDEEEMR C34H54N10O18S 922.3339 NA PeJP NA NA +PJ082070 PDDDEFW C42H50N8O16 922.3345 NA PeJP NA NA +PJ082071 GSTEMMMH C35H58N10O13S3 922.3347 NA PeJP NA NA +PJ082072 GGGGGPEMMM C35H58N10O13S3 922.3348 NA PeJP NA NA +PJ082073 SSSCEHHH C35H50N14O14S 922.3352 NA PeJP NA NA +PJ082074 GTCMYYW C43H54N8O11S2 922.3354 NA PeJP NA NA +PJ082075 CQMMHHH C36H54N14O9S3 922.3361 NA PeJP NA NA +PJ082076 AEEEEMW C39H54N8O16S 922.3379 NA PeJP NA NA +PJ082077 GSSSSCCHR C32H54N14O14S2 922.3386 NA PeJP NA NA +PJ082078 GQMMMYY C40H58N8O11S3 922.3387 NA PeJP NA NA +PJ082079 GGAMMMYY C40H58N8O11S3 922.3388 NA PeJP NA NA +PJ082080 SCNNNWW C40H50N12O12S 922.3392 NA PeJP NA NA +PJ082081 ACCCCKHR C33H58N14O9S4 922.3395 NA PeJP NA NA +PJ082082 GTTEEEEE C35H54N8O21 922.3404 NA PeJP NA NA +PJ082083 GPTEEEMM C36H58N8O16S2 922.3413 NA PeJP NA NA +PJ082084 SSSNNNDW C36H50N12O17 922.3417 NA PeJP NA NA +PJ082085 GGGGGGGNDEF C36H50N12O17 922.3418 NA PeJP NA NA +PJ082086 GPPEMMMM C37H62N8O11S4 922.3421 NA PeJP NA NA +PJ082087 GSPCCDRW C37H54N12O12S2 922.3426 NA PeJP NA NA +PJ082088 CNEWWW C45H50N10O10S 922.3432 NA PeJP NA NA +PJ082089 GSNDDEMR C33H54N12O17S 922.3451 NA PeJP NA NA +PJ082090 SSNDEWW C41H50N10O15 922.3457 NA PeJP NA NA +PJ082091 GGSSDEWW C41H50N10O15 922.3458 NA PeJP NA NA +PJ082092 GPCNDMMR C34H58N12O12S3 922.346 NA PeJP NA NA +PJ082093 GCNNNQHH C34H50N16O13S 922.3464 NA PeJP NA NA +PJ082094 GGGGGCNQHH C34H50N16O13S 922.3465 NA PeJP NA NA +PJ082095 SPCNMWW C42H54N10O10S2 922.3466 NA PeJP NA NA +PJ082096 CCMHHHR C35H54N16O8S3 922.3473 NA PeJP NA NA +MJ097810 Precorrin 5 C45H54N4O17 922.348396 NA MeJP NA NA +MetaCyc04317 precorrin-5 [] C45H54N4O17 922.348396 NA metacyc NA NA +C06416 Precorrin 5 C45H54N4O17 922.3484 NA KEGG NA NA +PJ082097 SNQEEMW C38H54N10O15S 922.3491 NA PeJP NA NA +PJ082098 NDYYYW C46H50N8O13 922.3498 NA PeJP NA NA +PJ082099 STMMMHW C39H58N10O10S3 922.35 NA PeJP NA NA +PJ082100 CNEHHHF C39H50N14O11S 922.3505 NA PeJP NA NA +PJ082101 ACCFFFW C47H54N8O8S2 922.3506 NA PeJP NA NA +PJ082102 SSSQQEEE C34H54N10O20 922.3516 NA PeJP NA NA +PJ082103 SSTTEMMH C35H58N10O15S2 922.3525 NA PeJP NA NA +PJ082104 GNNNNNNY C35H50N14O16 922.3529 NA PeJP NA NA +PJ082105 GGGNNNNNY C35H50N14O16 922.353 NA PeJP NA NA +PJ082106 SSSMYYW C43H54N8O13S 922.3531 NA PeJP NA NA +PJ082107 DKMMMMH C36H62N10O10S4 922.3534 NA PeJP NA NA +PJ082108 CCNNQRW C36H54N14O11S2 922.3538 NA PeJP NA NA +PJ082109 GGGGGACCRW C36H54N14O11S2 922.3539 NA PeJP NA NA +PJ082110 TTEEEEW C39H54N8O18 922.3556 NA PeJP NA NA +PJ082111 GAPEEEEY C39H54N8O18 922.3557 NA PeJP NA NA +PJ082112 GSCDDDRR C32H54N14O16S 922.3563 NA PeJP NA NA +PJ082113 GGGGGGSSCER C32H54N14O16S 922.3564 NA PeJP NA NA +PJ082114 PTEEMMW C40H58N8O13S2 922.3565 NA PeJP NA NA +PJ082115 NNNNDFW C40H50N12O14 922.357 NA PeJP NA NA +PJ082116 GPCCCERR C33H58N14O11S3 922.3572 NA PeJP NA NA +PJ082117 PPMMMMW C41H62N8O8S4 922.3574 NA PeJP NA NA +PJ082118 GCWWWW C49H50N10O7S 922.3585 NA PeJP NA NA +PJ082119 KEEEEEM C36H58N8O18S 922.359 NA PeJP NA NA +PJ082120 GPVEEMMM C37H62N8O13S3 922.3599 NA PeJP NA NA +PJ082121 GSSNNQMW C37H54N12O14S 922.3603 NA PeJP NA NA +PJ082122 SNDDMRW C37H54N12O14S 922.3604 NA PeJP NA NA +PJ082123 GSSDWWW C45H50N10O12 922.361 NA PeJP NA NA +PJ082124 PCCQMRW C38H58N12O9S3 922.3612 NA PeJP NA NA +PJ082125 GSSSSSSSTH C33H54N12O19 922.3628 NA PeJP NA NA +PJ082126 SSSNDEER C33H54N12O19 922.3629 NA PeJP NA NA +PJ082127 NNEEMMR C34H58N12O14S2 922.3637 NA PeJP NA NA +PJ082128 GGGGGGGDKMM C34H58N12O14S2 922.3638 NA PeJP NA NA +PJ082129 SSNNNNHH C34H50N16O15 922.3642 NA PeJP NA NA +PJ082130 GSQEMWW C42H54N10O12S 922.3644 NA PeJP NA NA +PJ082131 SMMMMHR C35H62N12O9S4 922.3646 NA PeJP NA NA +PJ082132 GPCCNHHR C35H54N16O10S2 922.3651 NA PeJP NA NA +PJ082133 GCHHHFW C43H50N14O8S 922.3657 NA PeJP NA NA +PJ082134 GSSTQEEW C38H54N10O17 922.3669 NA PeJP NA NA +PJ082135 AQQEMMW C39H58N10O12S2 922.3677 NA PeJP NA NA +PJ082136 GAAQEMMW C39H58N10O12S2 922.3678 NA PeJP NA NA +PJ082137 SNNEHHW C39H50N14O13 922.3682 NA PeJP NA NA +PJ082138 NMFYYW C47H54N8O10S 922.3684 NA PeJP NA NA +PJ082139 GTTQQEEM C35H58N10O17S 922.3702 NA PeJP NA NA +PJ082140 TEEEEMR C35H58N10O17S 922.3703 NA PeJP NA NA +PJ082141 APEEEYW C43H54N8O15 922.3709 NA PeJP NA NA +PJ082142 PEEMMMR C36H62N10O12S3 922.3711 NA PeJP NA NA +PJ082143 GSSCNNRW C36H54N14O13S 922.3716 NA PeJP NA NA +PJ082144 PPDMMFW C44H58N8O10S2 922.3718 NA PeJP NA NA +PJ082145 EEHHWW C44H50N12O11 922.3722 NA PeJP NA NA +PJ082146 PCCCRRW C37H58N14O8S3 922.3725 NA PeJP NA NA +PJ082147 GSSSSNNDR C32H54N14O18 922.3741 NA PeJP NA NA +PJ082148 SLEEEMW C40H58N8O15S 922.3743 NA PeJP NA NA +PJ082149 SVCCNNQR C33H58N14O13S2 922.3749 NA PeJP NA NA +PJ082150 CNDEMRR C33H58N14O13S2 922.375 NA PeJP NA NA +PJ082151 PVEMMMW C41H62N8O10S3 922.3751 NA PeJP NA NA +PJ082152 GSCERWW C41H54N12O11S 922.3756 NA PeJP NA NA +PJ082153 SSTLEEEE C36H58N8O20 922.3768 NA PeJP NA NA +PJ082154 SSPLEEMM C37H62N8O15S2 922.3776 NA PeJP NA NA +PJ082155 AALEEEMM C37H62N8O15S2 922.3777 NA PeJP NA NA +PJ082156 GSSSDERW C37H54N12O16 922.3781 NA PeJP NA NA +PJ082157 SPPVMMMM C38H66N8O10S4 922.3785 NA PeJP NA NA +PJ082158 GNEMMRW C38H58N12O11S2 922.379 NA PeJP NA NA +PJ082159 GSPDHHHH C38H50N16O12 922.3795 NA PeJP NA NA +PJ082160 SQMWWW C46H54N10O9S 922.3796 NA PeJP NA NA +PJ082161 GSSQEEMR C34H58N12O16S 922.3815 NA PeJP NA NA +PJ082162 SSTQEWW C42H54N10O14 922.3821 NA PeJP NA NA +PJ082163 GGGAAEEFW C42H54N10O14 922.3822 NA PeJP NA NA +PJ082164 GSPNMMMR C35H62N12O11S3 922.3824 NA PeJP NA NA +PJ082165 NNDMHHR C35H54N16O12S 922.3828 NA PeJP NA NA +PJ082166 GGGGGGGCKHH C35H54N16O12S 922.3829 NA PeJP NA NA +PJ082167 AAQMMWW C43H58N10O9S2 922.383 NA PeJP NA NA +MJ097811 Trillenogenin; 24-Epimer, 1-O-[2'',3'',4''-tri-O-acetyl-?-L-rhamnopyranosyl(1?2)-?-L-arabinopyranosyl], 24-O-Ac C45H62O20 922.383444 NA MeJP NA NA +PJ082168 GSNHHWW C43H50N14O10 922.3835 NA PeJP NA NA +PJ082169 SNKEEMW C39H58N10O14S 922.3855 NA PeJP NA NA +PJ082170 TQYYYW C47H54N8O12 922.3861 NA PeJP NA NA +PJ082171 PPDDFFW C47H54N8O12 922.3862 NA PeJP NA NA +PJ082172 PCQKMMW C40H62N10O9S3 922.3864 NA PeJP NA NA +PJ082173 GQQMHHW C40H54N14O10S 922.3868 NA PeJP NA NA +PJ082174 GGAQMHHW C40H54N14O10S 922.3869 NA PeJP NA NA +PJ082175 SSSQKEEE C35H58N10O19 922.388 NA PeJP NA NA +PJ082176 VEEEMMR C36H62N10O14S2 922.3889 NA PeJP NA NA +PJ082177 NNNNERY C36H54N14O15 922.3893 NA PeJP NA NA +PJ082178 GGGGNNERY C36H54N14O15 922.3894 NA PeJP NA NA +PJ082179 PPTEMYW C44H58N8O12S 922.3895 NA PeJP NA NA +PJ082180 GCDMRRW C37H58N14O10S2 922.3902 NA PeJP NA NA +PJ082181 NNQHHHH C37H50N18O11 922.3907 NA PeJP NA NA +PJ082182 SCRWWW C45H54N12O8S 922.3909 NA PeJP NA NA +PJ082183 SSTTTTYY C40H58N8O17 922.392 NA PeJP NA NA +PJ082184 GSSDDMRR C33H58N14O15S 922.3927 NA PeJP NA NA +PJ082185 VVEEMMW C41H62N8O12S2 922.3929 NA PeJP NA NA +PJ082186 SSSDRWW C41H54N12O13 922.3934 NA PeJP NA NA +PJ082187 GPTCCMRR C34H62N14O10S3 922.3936 NA PeJP NA NA +PJ082188 NMMRWW C42H58N12O8S2 922.3942 NA PeJP NA NA +PJ082189 ATTLEEEM C37H62N8O17S 922.3954 NA PeJP NA NA +PJ082190 APTLEMMM C38H66N8O12S3 922.3963 NA PeJP NA NA +PJ082191 SSQEMRW C38H58N12O13S 922.3967 NA PeJP NA NA +PJ082192 GGGGGSSKMW C38H58N12O13S 922.3968 NA PeJP NA NA +PJ082193 GSTTWWW C46H54N10O11 922.3974 NA PeJP NA NA +PJ082194 PCCKMRW C39H62N12O8S3 922.3976 NA PeJP NA NA +PJ082195 GCQHHRW C39H54N16O9S 922.3981 NA PeJP NA NA +PJ082196 SSSTQEER C34H58N12O18 922.3992 NA PeJP NA NA +PJ082197 GGGGGSSSTKE C34H58N12O18 922.3993 NA PeJP NA NA +PJ082198 NDKEMMR C35H62N12O13S2 922.4001 NA PeJP NA NA +PJ082199 GSSNEHHR C35H54N16O14 922.4006 NA PeJP NA NA +PJ082200 ATTQMWW C43H58N10O11S 922.4007 NA PeJP NA NA +MJ097812 Keramamide H; 2'-Debromo, 5'-deoxy C43H58N10O11S 922.400723 NA MeJP NA NA +PJ082201 GSKEMWW C43H58N10O11S 922.4008 NA PeJP NA NA +PJ082202 NFFFYW C51H54N8O9 922.4014 NA PeJP NA NA +PJ082203 SSSSLQEW C39H58N10O16 922.4032 NA PeJP NA NA +PJ082204 GSSTKEEW C39H58N10O16 922.4033 NA PeJP NA NA +PJ082205 SSSCNNRR C32H58N16O14S 922.4039 NA PeJP NA NA +PJ082206 GGSSSCNRR C32H58N16O14S 922.404 NA PeJP NA NA +PJ082207 AQKEMMW C40H62N10O11S2 922.4041 NA PeJP NA NA +PJ082208 GGGGGPLMMF C40H62N10O11S2 922.4042 NA PeJP NA NA +PJ082209 GNNNRYW C40H54N14O12 922.4046 NA PeJP NA NA +PJ082210 GQMFFFF C48H58N8O9S 922.4048 NA PeJP NA NA +PJ082211 GSDKKEEM C36H62N10O16S 922.4066 NA PeJP NA NA +PJ082212 SPLEEYW C44H58N8O14 922.4073 NA PeJP NA NA +PJ082213 GPTQKMMM C37H66N10O11S3 922.4075 NA PeJP NA NA +PJ082214 SSCERRW C37H58N14O12S 922.408 NA PeJP NA NA +PJ082215 PPVMMYW C45H62N8O9S2 922.4082 NA PeJP NA NA +PJ082216 NDFRWW C45H54N12O10 922.4086 NA PeJP NA NA +PJ082217 PCHHHHR C38H54N18O8S 922.4093 NA PeJP NA NA +PJ082218 SSSSDERR C33H58N14O17 922.4105 NA PeJP NA NA +PJ082219 AAPLEEMY C41H62N8O14S 922.4107 NA PeJP NA NA +PJ082220 SNEMMRR C34H62N14O12S2 922.4113 NA PeJP NA NA +PJ082221 GGSEMMRR C34H62N14O12S2 922.4114 NA PeJP NA NA +PJ082222 GPPLMMMF C42H66N8O9S3 922.4115 NA PeJP NA NA +PJ082223 GSTMRWW C42H58N12O10S 922.412 NA PeJP NA NA +PJ082224 AQFWWW C50H54N10O8 922.4126 NA PeJP NA NA +PJ082225 GAAFWWW C50H54N10O8 922.4127 NA PeJP NA NA +PJ082226 TTTTLEEE C37H62N8O19 922.4132 NA PeJP NA NA +PJ082227 GTLLEEMM C38H66N8O14S2 922.414 NA PeJP NA NA +PJ082228 GSSTTERW C38H58N12O15 922.4145 NA PeJP NA NA +PJ082229 GPLLMMMM C39H70N8O9S4 922.4149 NA PeJP NA NA +PJ082230 GDKMMRW C39H62N12O10S2 922.4154 NA PeJP NA NA +PJ082231 SSNHHRW C39H54N16O11 922.4158 NA PeJP NA NA +PJ082232 GGLEHHHH C39H54N16O11 922.4159 NA PeJP NA NA +PJ082233 SKMWWW C47H58N10O8S 922.416 NA PeJP NA NA +PJ082234 GSSKEEMR C35H62N12O15S 922.4179 NA PeJP NA NA +PJ082235 SSTKEWW C43H58N10O13 922.4185 NA PeJP NA NA +PJ082236 VQQMMMR C36H66N12O10S3 922.4187 NA PeJP NA NA +PJ082237 GGGALMMMR C36H66N12O10S3 922.4188 NA PeJP NA NA +PJ082238 CNNNFRR C36H58N16O11S 922.4192 NA PeJP NA NA +PJ082239 AAKMMWW C44H62N10O8S2 922.4194 NA PeJP NA NA +PJ082240 AQHHHFF C44H54N14O9 922.4199 NA PeJP NA NA +PJ082241 SDKKEMW C40H62N10O13S 922.4219 NA PeJP NA NA +PJ082242 TKYYYW C48H58N8O11 922.4225 NA PeJP NA NA +PJ082243 SCDMRRR C33H62N16O11S2 922.4226 NA PeJP NA NA +PJ082244 PCKKMMW C41H66N10O8S3 922.4228 NA PeJP NA NA +PJ082245 PPCQHRW C41H58N14O9S 922.4232 NA PeJP NA NA +PJ082246 SSSKKEEE C36H62N10O18 922.4244 NA PeJP NA NA +PJ082247 ATTLQQMM C37H66N10O13S2 922.4252 NA PeJP NA NA +PJ082248 QKKEEMM C37H66N10O13S2 922.4253 NA PeJP NA NA +PJ082249 GNEERRY C37H58N14O14 922.4257 NA PeJP NA NA +PJ082250 GGGGGGDKRY C37H58N14O14 922.4258 NA PeJP NA NA +PJ082251 PVVEMYW C45H62N8O11S 922.4259 NA PeJP NA NA +PJ082252 GSMMRRW C38H62N14O9S2 922.4266 NA PeJP NA NA +PJ082253 AEHHHHR C38H54N18O10 922.4271 NA PeJP NA NA +PJ082254 MHFFRW C46H58N12O7S 922.4273 NA PeJP NA NA +PJ082255 LLQEEEY C41H62N8O16 922.4284 NA PeJP NA NA +PJ082256 GSSTEMRR C34H62N14O14S 922.4291 NA PeJP NA NA +PJ082257 TLLEMMW C42H66N8O11S2 922.4293 NA PeJP NA NA +PJ082258 SSTTRWW C42H58N12O12 922.4297 NA PeJP NA NA +PJ082259 GVNERYW C42H58N12O12 922.4298 NA PeJP NA NA +PJ082260 AQMMMRR C35H66N14O9S3 922.43 NA PeJP NA NA +PJ082261 SCQHHRR C35H58N18O10S 922.4304 NA PeJP NA NA +PJ082262 GGTCHHRR C35H58N18O10S 922.4305 NA PeJP NA NA +PJ082263 GLHHHHW C43H54N16O8 922.4311 NA PeJP NA NA +PJ082264 STTLLEEM C38H66N8O16S 922.4318 NA PeJP NA NA +PJ082265 GVLLEMMM C39H70N8O11S3 922.4327 NA PeJP NA NA +PJ082266 SSKEMRW C39H62N12O12S 922.4331 NA PeJP NA NA +PJ082267 GGGGGGGVKMF C39H62N12O12S 922.4332 NA PeJP NA NA +PJ082268 GSPKYWW C47H58N10O10 922.4338 NA PeJP NA NA +PJ082269 GCKHHRW C40H58N16O8S 922.4345 NA PeJP NA NA +PJ082270 SSSTKEER C35H62N12O17 922.4356 NA PeJP NA NA +PJ082271 TQKEMMR C36H66N12O12S2 922.4365 NA PeJP NA NA +PJ082272 SNNNRRY C36H58N16O13 922.437 NA PeJP NA NA +PJ082273 ATTKMWW C44H62N10O10S 922.4371 NA PeJP NA NA +PJ082274 GAAPKMYW C44H62N10O10S 922.4372 NA PeJP NA NA +PJ082275 SSSSLKEW C40H62N10O15 922.4396 NA PeJP NA NA +PJ082276 VVEEERY C40H62N10O15 922.4397 NA PeJP NA NA +PJ082277 AKKEMMW C41H66N10O10S2 922.4405 NA PeJP NA NA +PJ082278 NERRYW C41H58N14O11 922.441 NA PeJP NA NA +PJ082279 PPVMFFW C49H62N8O8S 922.4412 NA PeJP NA NA +PJ082280 GTTKKEEM C37H66N10O15S 922.443 NA PeJP NA NA +PJ082281 ALLEEYW C45H62N8O13 922.4437 NA PeJP NA NA +PJ082282 LLEMMMR C38H70N10O10S3 922.4439 NA PeJP NA NA +PJ082283 SPNMRRY C38H62N14O11S 922.4443 NA PeJP NA NA +PJ082284 SSTMRRW C38H62N14O11S 922.4444 NA PeJP NA NA +PJ082285 PVLMMFW C46H66N8O8S2 922.4445 NA PeJP NA NA +PJ082286 VNRYWW C46H58N12O9 922.445 NA PeJP NA NA +PJ082287 ASSSSSNKR C34H62N14O16 922.4468 NA PeJP NA NA +PJ082288 SSSTTERR C34H62N14O16 922.4469 NA PeJP NA NA +PJ082289 GPTLLEMY C42H66N8O13S 922.447 NA PeJP NA NA +PJ082290 AALLEEMF C42H66N8O13S 922.4471 NA PeJP NA NA +PJ082291 SDKMMRR C35H66N14O11S2 922.4477 NA PeJP NA NA +PJ082292 VLLMMMW C43H70N8O8S3 922.4479 NA PeJP NA NA +PJ082293 GSSSHHRR C35H58N18O12 922.4482 NA PeJP NA NA +PJ082294 APCKRYW C43H62N12O9S 922.4484 NA PeJP NA NA +PJ082295 AKFWWW C51H58N10O7 922.449 NA PeJP NA NA +PJ082296 SSLLLEMM C39H70N8O13S2 922.4504 NA PeJP NA NA +PJ082297 SSSSTLRW C39H62N12O14 922.4509 NA PeJP NA NA +PJ082298 ATKMMRW C40H66N12O9S2 922.4517 NA PeJP NA NA +PJ082299 VTCKMRW C40H66N12O9S2 922.4518 NA PeJP NA NA +PJ082300 GPDHRRW C40H58N16O10 922.4522 NA PeJP NA NA +PJ082301 ASTTKEMR C36H66N12O14S 922.4542 NA PeJP NA NA +PJ082302 GTTTKEMR C36H66N12O14S 922.4543 NA PeJP NA NA +PJ082303 TTTTKWW C44H62N10O12 922.4549 NA PeJP NA NA +PJ082304 VQKMMMR C37H70N12O9S3 922.4551 NA PeJP NA NA +PJ082305 GCEFRRR C37H62N16O10S 922.4556 NA PeJP NA NA +PJ082306 GRRYWW C45H58N14O8 922.4562 NA PeJP NA NA +MJ097813 Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-digitalopyranoside], 20-O-[2-O-benzoyl-?-D-glucopyranoside] C47H70O18 922.456215 NA MeJP NA NA +PJ082307 PPLHHHW C45H58N14O8 922.4563 NA PeJP NA NA +PJ082308 TTKKEMW C41H66N10O12S 922.4583 NA PeJP NA NA +PJ082309 PPVVYYW C49H62N8O10 922.4589 NA PeJP NA NA +PJ082310 SSMMRRR C34H66N16O10S2 922.459 NA PeJP NA NA +PJ082311 QMFRRW C42H62N14O8S 922.4596 NA PeJP NA NA +PJ082312 STTTKKEE C37H66N10O17 922.4608 NA PeJP NA NA +PJ082313 SPTTKKMM C38H70N10O12S2 922.4616 NA PeJP NA NA +PJ082314 KKKEEMM C38H70N10O12S2 922.4617 NA PeJP NA NA +PJ082315 GDKERRY C38H62N14O13 922.4621 NA PeJP NA NA +PJ082316 GGGGGGGAALLH C38H62N14O13 922.4622 NA PeJP NA NA +PJ082317 PTLLMYW C46H66N8O10S 922.4623 NA PeJP NA NA +PJ082318 VLMMHHR C39H66N14O8S2 922.463 NA PeJP NA NA +PJ082319 GNHHFRR C39H58N18O9 922.4635 NA PeJP NA NA +PJ082320 LLKEEEY C42H66N8O15 922.4648 NA PeJP NA NA +PJ082321 SSSSLMRR C35H66N14O13S 922.4655 NA PeJP NA NA +PJ082322 GPVLLMMY C43H70N8O10S2 922.4657 NA PeJP NA NA +PJ082323 AAKERYW C43H62N12O11 922.4661 NA PeJP NA NA +PJ082324 GGGGAKKYW C43H62N12O11 922.4662 NA PeJP NA NA +PJ082325 AKMMMRR C36H70N14O8S3 922.4664 NA PeJP NA NA +PJ082326 SCKHHRR C36H62N18O9S 922.4668 NA PeJP NA NA +PJ082327 ATLLLMMM C40H74N8O10S3 922.469 NA PeJP NA NA +PJ082328 TTTKMRW C40H66N12O11S 922.4695 NA PeJP NA NA +PJ082329 LQKYWW C48H62N10O9 922.4702 NA PeJP NA NA +PJ082330 CFRRRW C41H62N16O7S 922.4709 NA PeJP NA NA +PJ082331 STTTTKER C36H66N12O16 922.472 NA PeJP NA NA +PJ082332 TKKEMMR C37H70N12O11S2 922.4729 NA PeJP NA NA +PJ082333 PTQEHRR C37H62N16O12 922.4733 NA PeJP NA NA +PJ082334 GSERRRY C37H62N16O12 922.4734 NA PeJP NA NA +PJ082335 APKKMYW C45H66N10O9S 922.4735 NA PeJP NA NA +PJ082336 SSTTTLKW C41H66N10O14 922.476 NA PeJP NA NA +PJ082337 GGPPPLKEE C41H66N10O14 922.4761 NA PeJP NA NA +PJ082338 SLKKMMW C42H70N10O9S2 922.4769 NA PeJP NA NA +MJ097814 1,6,10,14-Phytatetraene-3,17-diol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 17-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C44H74O20 922.477344 NA MeJP NA NA +PJ082339 DKRRYW C42H62N14O10 922.4774 NA PeJP NA NA +PJ082340 SSTLKKEM C38H70N10O14S 922.4794 NA PeJP NA NA +PJ082341 SLLLEYW C46H66N8O12 922.48 NA PeJP NA NA +MJ097815 Aselacin A; 9''-Ketone, 17''-hydroxy C46H66N8O12 922.480019 NA MeJP NA NA +PJ082342 TLLLDYW C46H66N8O12 922.4801 NA PeJP NA NA +PJ082343 AALKKMMM C39H74N10O9S3 922.4803 NA PeJP NA NA +PJ082344 GLQMRRY C39H66N14O10S 922.4807 NA PeJP NA NA +PJ082345 GGALMRRY C39H66N14O10S 922.4808 NA PeJP NA NA +PJ082346 TKFRWW C47H62N12O8 922.4814 NA PeJP NA NA +PJ082347 STTTTTRR C35H66N14O15 922.4832 NA PeJP NA NA +PJ082348 AALLLEMY C43H70N8O12S 922.4834 NA PeJP NA NA +PJ082349 TTKMMRR C36H70N14O10S2 922.4841 NA PeJP NA NA +PJ082350 SPDHRRR C36H62N18O11 922.4846 NA PeJP NA NA +PJ082351 GVKMFRW C44H66N12O8S 922.4848 NA PeJP NA NA +PJ082352 TTTLLLMM C40H74N8O12S2 922.4868 NA PeJP NA NA +PJ082353 AKKEERY C40H66N12O13 922.4873 NA PeJP NA NA +PJ082354 CCKKKKW C41H70N12O8S2 922.4881 NA PeJP NA NA +PJ082355 SRRRYW C41H62N16O9 922.4886 NA PeJP NA NA +PJ082356 SSTTLKMR C37H70N12O13S 922.4906 NA PeJP NA NA +PJ082357 GLKKEYW C45H66N10O11 922.4913 NA PeJP NA NA +PJ082358 VKKMMMR C38H74N12O8S3 922.4915 NA PeJP NA NA +PJ082359 AAMRRRY C38H66N16O9S 922.492 NA PeJP NA NA +PJ082360 VLLEMRY C42H70N10O11S 922.4947 NA PeJP NA NA +PJ082361 PVVLFYW C50H66N8O9 922.4953 NA PeJP NA NA +PJ082362 GNQHRRR C35H62N20O10 922.4958 NA PeJP NA NA +PJ082363 KMFRRW C43H66N14O7S 922.496 NA PeJP NA NA +PJ082364 SSSSTTLLK C38H70N10O16 922.4971 NA PeJP NA NA +PJ082365 SSSSTTILK C38H70N10O16 922.4972 NA PeJP NA NA +PJ082366 ATTLKKMM C39H74N10O11S2 922.498 NA PeJP NA NA +PJ082367 ATKERRY C39H66N14O12 922.4985 NA PeJP NA NA +PJ082368 VVLLMYW C47H70N8O9S 922.4987 NA PeJP NA NA +PJ082369 ATTLLLEY C43H70N8O14 922.5012 NA PeJP NA NA +PJ082370 SSSCKKKR C36H70N14O12S 922.5019 NA PeJP NA NA +PJ082371 GVLLLMMF C44H74N8O9S2 922.5021 NA PeJP NA NA +PJ082372 GTLKRYW C44H66N12O10 922.5025 NA PeJP NA NA +PJ082373 APMHRRR C37H66N18O8S 922.5032 NA PeJP NA NA +PJ082374 PTKKMRY C41H70N12O10S 922.5059 NA PeJP NA NA +PJ082375 LKKYWW C49H66N10O8 922.5065 NA PeJP NA NA +PJ082376 PPPLKWW C49H66N10O8 922.5066 NA PeJP NA NA +PJ082377 GSSSTTKKK C37H70N12O15 922.5084 NA PeJP NA NA +PJ082378 GTCKKKKM C38H74N12O10S2 922.5093 NA PeJP NA NA +PJ082379 ATTRRRY C38H66N16O11 922.5097 NA PeJP NA NA +PJ082380 GGVLEHRR C38H66N16O11 922.5098 NA PeJP NA NA +PJ082381 ALKKMFW C46H70N10O8S 922.5099 NA PeJP NA NA +PJ082382 VKKKEEY C42H70N10O13 922.5124 NA PeJP NA NA +PJ082383 LLLMMFR C43H74N10O8S2 922.5133 NA PeJP NA NA +MJ097816 Muricatins; 2'-(S-2-Methylbutanoyl) C45H78O19 922.51373 NA MeJP NA NA +MJ097817 Muricatins; 4''-Epimer, 2'-(S-2-methylbutanoyl) C45H78O19 922.51373 NA MeJP NA NA +MJ097818 Stigmastane-3,4,6,8,15,16,29-heptol, 29-O-[3-O-Methyl-?-D-xylopyranosyl-(1?4)-?-D-xylopyranosyl-(1?4)-?-D-xylopyranoside] C45H78O19 922.51373 NA MeJP NA NA +PJ082384 SPLKHRW C43H66N14O9 922.5138 NA PeJP NA NA +PJ082385 TTTTLKKM C39H74N10O13S 922.5158 NA PeJP NA NA +PJ082386 AAPLLLYY C47H70N8O11 922.5164 NA PeJP NA NA +PJ082387 AALLLEFF C47H70N8O11 922.5165 NA PeJP NA NA +PJ082388 GLKMRRY C40H70N14O9S 922.5171 NA PeJP NA NA +PJ082389 GTLLLLMY C44H74N8O11S 922.5198 NA PeJP NA NA +PJ082390 GLEHRRR C37H66N18O10 922.521 NA PeJP NA NA +PJ082391 SLKKERY C41H70N12O12 922.5236 NA PeJP NA NA +PJ082392 TLDKKRY C41H70N12O12 922.5237 NA PeJP NA NA +PJ082393 GVLHRRW C42H66N16O8 922.525 NA PeJP NA NA +PJ082394 SSSKKKKM C38H74N12O12S 922.527 NA PeJP NA NA +MJ097819 Anabaenopeptin H C46H70N10O10 922.527638 NA MeJP NA NA +PJ082395 SVLKKYW C46H70N10O10 922.5277 NA PeJP NA NA +PJ082396 PVKMHRR C39H70N16O8S 922.5284 NA PeJP NA NA +MJ097820 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-O-[?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-cymaropyranosyl] C49H78O16 922.528986 NA MeJP NA NA +MJ097821 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-O-[?-L-cymaropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] C49H78O16 922.528986 NA MeJP NA NA +PJ082397 LLQKKMY C43H74N10O10S 922.531 NA PeJP NA NA +PJ082398 GALLKKMY C43H74N10O10S 922.5311 NA PeJP NA NA +PJ082399 VVLLFFW C51H70N8O8 922.5317 NA PeJP NA NA +PJ082400 GNKHRRR C36H66N20O9 922.5322 NA PeJP NA NA +PJ082401 STLKRRY C40H70N14O11 922.5349 NA PeJP NA NA +PJ082402 LHRRRW C41H66N18O7 922.5362 NA PeJP NA NA +PJ082403 STTLLLLY C44H74N8O13 922.5376 NA PeJP NA NA +PJ082404 AAPPLLRW C45H70N12O9 922.5389 NA PeJP NA NA +PJ082405 VVKKMRY C42H74N12O9S 922.5423 NA PeJP NA NA +PJ082406 PPLERRR C39H70N16O10 922.5461 NA PeJP NA NA +PJ082407 GTTLLKKY C43H74N10O12 922.5488 NA PeJP NA NA +PJ082408 VVVKHRW C44H70N14O8 922.5501 NA PeJP NA NA +PJ082409 PPVLRRW C44H70N14O8 922.5502 NA PeJP NA NA +PJ082410 AALLLLFY C48H74N8O10 922.5528 NA PeJP NA NA +PJ082411 SVLHRRR C38H70N18O9 922.5574 NA PeJP NA NA +PJ082412 TQKKKKY C42H74N12O11 922.56 NA PeJP NA NA +PJ082413 APPLLKER C42H74N12O11 922.5601 NA PeJP NA NA +PJ082414 GPPLLLKW C47H74N10O9 922.5641 NA PeJP NA NA +PJ082415 LLKKKMY C44H78N10O9S 922.5674 NA PeJP NA NA +PJ082416 APPTLLRR C41H74N14O10 922.5713 NA PeJP NA NA +PJ082417 VLLKKHW C46H74N12O8 922.5753 NA PeJP NA NA +PJ082418 TLLKHRR C40H74N16O9 922.5825 NA PeJP NA NA +PJ082419 TTLLLLLH C44H78N10O11 922.5852 NA PeJP NA NA +PJ082420 AKKKHRR C39H74N18O8 922.5937 NA PeJP NA NA +PJ082421 TKKKKKY C43H78N12O10 922.5964 NA PeJP NA NA +PJ082422 LLKKKFF C48H78N10O8 922.6005 NA PeJP NA NA +PJ082423 GPVLLLRR C42H78N14O9 922.6077 NA PeJP NA NA +PJ082424 PLLLLLLE C46H82N8O11 922.6104 NA PeJP NA NA +PJ082425 PLLLRRR C41H78N16O8 922.6189 NA PeJP NA NA +PJ082426 PVLLLLQK C45H82N10O10 922.6216 NA PeJP NA NA +PJ082427 APLLLLKR C44H82N12O9 922.6328 NA PeJP NA NA +PJ082428 PVLLLLKK C46H86N10O9 922.658 NA PeJP NA NA +PJ082429 LLLLLLLL C48H90N8O9 922.6831 NA PeJP NA NA +HMDB10512 TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] C61H94O6 922.705017 NA HMDB2010 NA NA +HMDB10514 TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C61H94O6 922.705017 NA HMDB2010 NA NA +HMDB10536 TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3] C61H94O6 922.705017 NA HMDB2010 NA NA +2683 NA GGTYSCHFGPATWVCKPQGG 922.93 MH2+ Inhouse_peptide NA peptide +3151 erythropoietin receptor agonist peptide REGCRRGWVGQCKAWFN 922.9669 MH2+ Inhouse_peptide NA peptide +PJ082430 GCCCCCCDD C28H45N9O14S6 923.1411 NA PeJP NA NA +MetaCyc04318 3-oxopimelyl-CoA [3-oxopimeloyl-CoA;3-ketopimeloyl-CoA;3-ketopimelyl-CoA;] C28H44N7O20P3S1 923.157467 NA metacyc NA NA +HMDB12158 3-Oxopimelyl-CoA C28H44N7O20P3S 923.157471 NA HMDB2010 NA NA +C06715 3-Oxopimeloyl-CoA C28H44N7O20P3S 923.1575 NA KEGG NA NA +PJ082431 SPCCCCCCC C29H49N9O11S7 923.1597 NA PeJP NA NA +PJ082432 GSCCCCCDM C29H49N9O13S6 923.1775 NA PeJP NA NA +PJ082433 TCCCCCCW C33H49N9O10S6 923.1927 NA PeJP NA NA +PJ082434 SSSCCCCCE C29H49N9O15S5 923.1952 NA PeJP NA NA +PJ082435 CCCCCQMM C30H53N9O10S7 923.1961 NA PeJP NA NA +PJ082436 CCCCCCMR C29H53N11O9S7 923.2073 NA PeJP NA NA +PJ082437 CCCCCNEF C33H49N9O12S5 923.2105 NA PeJP NA NA +PJ082438 GSSCCCCMM C30H53N9O12S6 923.2138 NA PeJP NA NA +PJ082439 CCCNDDDH C31H45N11O16S3 923.2208 NA PeJP NA NA +PJ082440 GCCCCCFW C37H49N9O9S5 923.2257 NA PeJP NA NA +PJ082441 SCCCCNEY C33H49N9O14S4 923.2282 NA PeJP NA NA +PJ082442 SSSTCCCCM C30H53N9O14S5 923.2316 NA PeJP NA NA +PJ082443 CCCCCKMM C31H57N9O9S7 923.2325 NA PeJP NA NA +PJ082444 GSPCCCCDH C32H49N11O13S4 923.2395 NA PeJP NA NA +PJ082445 GSCCCCYW C37H49N9O11S4 923.2435 NA PeJP NA NA +PJ082446 GSSSCCCDY C33H49N9O16S3 923.246 NA PeJP NA NA +PJ082447 GCCCNMMY C34H53N9O11S5 923.2468 NA PeJP NA NA +PJ082448 GGGCCCMMY C34H53N9O11S5 923.2469 NA PeJP NA NA +PJ082449 CCCCNNQH C31H49N13O12S4 923.2507 NA PeJP NA NA +PJ082450 CNNNDDDD C31H45N11O20S 923.2563 NA PeJP NA NA +PJ082451 GGCNNDDDD C31H45N11O20S 923.2564 NA PeJP NA NA +PJ082452 SCCNDDMH C32H49N11O15S3 923.2572 NA PeJP NA NA +PJ082453 ACCCCCRY C33H53N11O10S5 923.2581 NA PeJP NA NA +PJ082454 GCCCNDFY C37H49N9O13S3 923.2612 NA PeJP NA NA +PJ082455 SNDDDDDE C32H45N9O23 923.2629 NA PeJP NA NA +PJ082456 PCNDDDDM C33H49N9O18S2 923.2637 NA PeJP NA NA +PJ082457 GGPCDDDDM C33H49N9O18S2 923.2638 NA PeJP NA NA +PJ082458 SSCCCQMY C34H53N9O13S4 923.2646 NA PeJP NA NA +PJ082459 CCDEEYY C38H49N7O16S2 923.2677 NA PeJP NA NA +PJ082460 CDDDMYY C38H49N7O16S2 923.2678 NA PeJP NA NA +PJ082461 GSSCCCNNH C31H49N13O14S3 923.2684 NA PeJP NA NA +PJ082462 GGGSSCCCNH C31H49N13O14S3 923.2685 NA PeJP NA NA +PJ082463 PCCCCCHR C32H53N13O9S5 923.2693 NA PeJP NA NA +PJ082464 CDMMMMY C36H57N7O11S5 923.272 NA PeJP NA NA +PJ082465 GSCCCEHW C36H49N11O12S3 923.2725 NA PeJP NA NA +PJ082466 GSSSCCDEH C32H49N11O17S2 923.275 NA PeJP NA NA +PJ082467 SSCCCCRY C33H53N11O12S4 923.2758 NA PeJP NA NA +PJ082468 GGGCCEMMH C33H53N11O12S4 923.2759 NA PeJP NA NA +PJ082469 GSDDDDDW C36H45N9O20 923.2781 NA PeJP NA NA +PJ082470 GPCCDDEW C37H49N9O15S2 923.279 NA PeJP NA NA +PJ082471 GCCCNMFF C38H53N9O10S4 923.2799 NA PeJP NA NA +PJ082472 GNDDDEEM C33H49N9O20S 923.2815 NA PeJP NA NA +PJ082473 GSSSSCCMY C34H53N9O15S3 923.2824 NA PeJP NA NA +PJ082474 ACCCCKMY C35H57N9O10S5 923.2832 NA PeJP NA NA +PJ082475 CCNNNNNE C31H49N13O16S2 923.2862 NA PeJP NA NA +PJ082476 CDDMMFY C39H53N7O13S3 923.2864 NA PeJP NA NA +PJ082477 GCCCDMHR C32H53N13O11S4 923.2871 NA PeJP NA NA +PJ082478 SCCCHWW C40H49N11O9S3 923.2877 NA PeJP NA NA +MJ097822 Cochinmicin I; 2-Epimer, 5''-chloro C46H46ClN7O12 923.289297 NA MeJP NA NA +MJ097823 Cochinmicin I; 5''-Chloro C46H46ClN7O12 923.289297 NA MeJP NA NA +PJ082479 SSSCCDHW C36H49N11O14S2 923.2902 NA PeJP NA NA +PJ082480 CMMMMMF C37H61N7O8S6 923.2906 NA PeJP NA NA +PJ082481 CCNMMHW C37H53N11O9S4 923.2911 NA PeJP NA NA +PJ082482 GCDDDDER C32H49N11O19S 923.2927 NA PeJP NA NA +PJ082483 GGGGGGSDDDM C32H49N11O19S 923.2928 NA PeJP NA NA +PJ082484 SSCNDMMH C33H53N11O14S3 923.2936 NA PeJP NA NA +PJ082485 PCCDDWW C41H49N9O12S2 923.2943 NA PeJP NA NA +PJ082486 PCCCCKMH C34H57N11O9S5 923.2945 NA PeJP NA NA +PJ082487 GCCCQHHH C34H49N15O10S3 923.2949 NA PeJP NA NA +PJ082488 GGACCCHHH C34H49N15O10S3 923.295 NA PeJP NA NA +PJ082489 CNDEEEW C37H49N9O17S 923.2967 NA PeJP NA NA +PJ082490 NDDDEMW C37H49N9O17S 923.2968 NA PeJP NA NA +MetaCyc04319 factor F430 seco-precursor [] C42H53N6O14NI1 923.297323 NA metacyc NA NA +MetaCyc04320 tetrahydrocorphinate [] C42H53N6O14NI1 923.297323 NA metacyc NA NA +PJ082491 SPPCCCEW C38H53N9O12S3 923.2976 NA PeJP NA NA +PJ082492 STDDDDQE C33H49N9O22 923.2992 NA PeJP NA NA +PJ082493 SSNDDEEE C33H49N9O22 923.2993 NA PeJP NA NA +PJ082494 SSSSSTCCY C34H53N9O17S2 923.3001 NA PeJP NA NA +PJ082495 GNDDDDHH C34H45N13O18 923.3006 NA PeJP NA NA +PJ082496 CDDDFFY C42H49N7O15S 923.3008 NA PeJP NA NA +PJ082497 SSCCCKMY C35H57N9O12S4 923.301 NA PeJP NA NA +PJ082498 GCCNNNNW C35H49N13O13S2 923.3015 NA PeJP NA NA +PJ082499 GSSCNNNND C31H49N13O18S 923.304 NA PeJP NA NA +PJ082500 SDDMMYY C39H53N7O15S2 923.3041 NA PeJP NA NA +PJ082501 SSCCCEHR C32H53N13O13S3 923.3048 NA PeJP NA NA +PJ082502 GGGGPCCCDR C32H53N13O13S3 923.3049 NA PeJP NA NA +PJ082503 CDMMMFF C40H57N7O10S4 923.305 NA PeJP NA NA +PJ082504 CCNDHFW C40H49N11O11S2 923.3055 NA PeJP NA NA +PJ082505 EEEEEEM C35H53N7O20S 923.3066 NA PeJP NA NA +PJ082506 CDDDDRW C36H49N11O16S 923.308 NA PeJP NA NA +PJ082507 SMMMMMY C37H61N7O10S5 923.3084 NA PeJP NA NA +PJ082508 CCCNRYY C37H53N11O11S3 923.3088 NA PeJP NA NA +PJ082509 GSTCCMHW C37H53N11O11S3 923.3089 NA PeJP NA NA +PJ082510 SSDDDDDR C32H49N11O21 923.3105 NA PeJP NA NA +PJ082511 ASSSTCCEH C33H53N11O16S2 923.3113 NA PeJP NA NA +PJ082512 SPCCDDER C33H53N11O16S2 923.3114 NA PeJP NA NA +PJ082513 GDDDMWW C41H49N9O14S 923.312 NA PeJP NA NA +PJ082514 PPCCCDMR C34H57N11O11S4 923.3122 NA PeJP NA NA +PJ082515 SSCCNHHH C34H49N15O12S2 923.3127 NA PeJP NA NA +PJ082516 GSSDDEEW C37H49N9O19 923.3145 NA PeJP NA NA +PJ082517 GSPCDEMW C38H53N9O14S2 923.3154 NA PeJP NA NA +PJ082518 GPPCCMMW C39H57N9O9S4 923.3163 NA PeJP NA NA +PJ082519 GSNEEEEM C34H53N9O19S 923.3179 NA PeJP NA NA +PJ082520 GDDEYYY C42H49N7O17 923.3185 NA PeJP NA NA +PJ082521 SSPPVCCCE C35H57N9O14S3 923.3187 NA PeJP NA NA +PJ082522 GPNDEMMM C35H57N9O14S3 923.3188 NA PeJP NA NA +PJ082523 SPCNDDHH C35H49N13O15S 923.3192 NA PeJP NA NA +PJ082524 PCCEFYY C43H53N7O12S2 923.3194 NA PeJP NA NA +PJ082525 CEMMHHH C36H53N13O10S3 923.3201 NA PeJP NA NA +PJ082526 GCNNDDMR C32H53N13O15S2 923.3226 NA PeJP NA NA +PJ082527 GEMMMYY C40H57N7O12S3 923.3228 NA PeJP NA NA +PJ082528 SCNNDWW C40H49N11O13S 923.3232 NA PeJP NA NA +PJ082529 GGGGSCDWW C40H49N11O13S 923.3233 NA PeJP NA NA +PJ082530 GSCCMMHR C33H57N13O10S4 923.3235 NA PeJP NA NA +PJ082531 CCMHHFF C41H53N11O8S3 923.3241 NA PeJP NA NA +PJ082532 SSSNNDDW C36H49N11O18 923.3257 NA PeJP NA NA +PJ082533 GGGGSSSDDW C36H49N11O18 923.3258 NA PeJP NA NA +PJ082534 SSSSCMHW C37H53N11O13S2 923.3266 NA PeJP NA NA +PJ082535 CDEWWW C45H49N9O11S 923.3273 NA PeJP NA NA +PJ082536 GSDDDEMR C33H53N11O18S 923.3291 NA PeJP NA NA +PJ082537 SSDDEWW C41H49N9O16 923.3298 NA PeJP NA NA +PJ082538 GPCDDMMR C34H57N11O13S3 923.33 NA PeJP NA NA +PJ082539 GCNNNEHH C34H49N15O14S 923.3305 NA PeJP NA NA +PJ082540 SPCDMWW C42H53N9O11S2 923.3306 NA PeJP NA NA +PJ082541 GCCCKHHH C35H53N15O9S3 923.3313 NA PeJP NA NA +PJ082542 SNEEEMW C38H53N9O16S 923.3331 NA PeJP NA NA +PJ082543 GGGPDDEMF C38H53N9O16S 923.3332 NA PeJP NA NA +PJ082544 DDYYYW C46H49N7O14 923.3338 NA PeJP NA NA +PJ082545 GGGGGGGGSCCR C31H53N15O14S2 923.3339 NA PeJP NA NA +PJ082546 PNDMMMW C39H57N9O11S3 923.334 NA PeJP NA NA +PJ082547 CDEHHHF C39H49N13O12S 923.3345 NA PeJP NA NA +PJ082548 SSSQEEEE C34H53N9O21 923.3356 NA PeJP NA NA +PJ082549 QQEEEMM C35H57N9O16S2 923.3365 NA PeJP NA NA +PJ082550 GNNNNNDY C35H49N13O17 923.337 NA PeJP NA NA +PJ082551 SPCEYYY C43H53N7O14S 923.3371 NA PeJP NA NA +PJ082552 GDEMFYY C43H53N7O14S 923.3372 NA PeJP NA NA +PJ082553 SPPCQMMM C36H61N9O11S4 923.3374 NA PeJP NA NA +PJ082554 CCNNERW C36H53N13O12S2 923.3378 NA PeJP NA NA +PJ082555 GGCCNERW C36H53N13O12S2 923.3379 NA PeJP NA NA +PJ082556 MMMYYW C44H57N7O9S3 923.338 NA PeJP NA NA +PJ082557 PEEEEEY C39H53N7O19 923.3397 NA PeJP NA NA +PJ082558 SSCNNDER C32H53N13O17S 923.3403 NA PeJP NA NA +PJ082559 GGSSCNDER C32H53N13O17S 923.3404 NA PeJP NA NA +PJ082560 STEMMYY C40H57N7O14S2 923.3405 NA PeJP NA NA +PJ082561 NNNDDFW C40H49N11O15 923.341 NA PeJP NA NA +PJ082562 SSTCCMHR C33H57N13O12S3 923.3412 NA PeJP NA NA +PJ082563 AMMMMFY C41H61N7O9S4 923.3414 NA PeJP NA NA +PJ082564 GCNQMWW C41H53N11O10S2 923.3419 NA PeJP NA NA +PJ082565 SDDDMRW C37H53N11O15S 923.3444 NA PeJP NA NA +PJ082566 PCCEMRW C38H57N11O10S3 923.3452 NA PeJP NA NA +PJ082567 GGAPCCCKW C38H57N11O10S3 923.3453 NA PeJP NA NA +PJ082568 CNNNHHW C38H49N15O11S 923.3457 NA PeJP NA NA +PJ082569 SSSDDEER C33H53N11O20 923.3469 NA PeJP NA NA +PJ082570 NDEEMMR C34H57N11O15S2 923.3477 NA PeJP NA NA +PJ082571 GGDEEMMR C34H57N11O15S2 923.3478 NA PeJP NA NA +PJ082572 SSNNNDHH C34H49N15O16 923.3482 NA PeJP NA NA +PJ082573 GSEEMWW C42H53N9O13S 923.3484 NA PeJP NA NA +PJ082574 SPPCCMMR C35H61N11O10S4 923.3486 NA PeJP NA NA +PJ082575 GPCCDHHR C35H53N15O11S2 923.3491 NA PeJP NA NA +PJ082576 APCMMWW C43H57N9O8S3 923.3493 NA PeJP NA NA +MJ097824 Pepticinnamin; Pepticinnamin C C49H54ClN5O11 923.350835 NA MeJP NA NA +PJ082577 GSSTEEEW C38H53N9O18 923.3509 NA PeJP NA NA +PJ082578 AQEEMMW C39H57N9O13S2 923.3518 NA PeJP NA NA +PJ082579 SNDEHHW C39H49N13O14 923.3522 NA PeJP NA NA +PJ082580 DMFYYW C47H53N7O11S 923.3524 NA PeJP NA NA +PJ082581 PMMMMHF C40H61N9O8S4 923.3526 NA PeJP NA NA +PJ082582 GCCNRWW C40H53N13O9S2 923.3531 NA PeJP NA NA +PJ082583 GSDKEEEM C35H57N9O18S 923.3543 NA PeJP NA NA +PJ082584 GTEEYYY C43H53N7O16 923.3549 NA PeJP NA NA +PJ082585 GPTQEMMM C36H61N9O13S3 923.3551 NA PeJP NA NA +PJ082586 GSSCNDRW C36H53N13O14S 923.3556 NA PeJP NA NA +PJ082587 GPMMYYY C44H57N7O11S2 923.3558 NA PeJP NA NA +PJ082588 LMMMMMH C37H65N9O8S5 923.356 NA PeJP NA NA +PJ082589 CCQMHFR C37H57N13O9S3 923.3565 NA PeJP NA NA +PJ082590 GSSSSNDDR C32H53N13O19 923.3581 NA PeJP NA NA +PJ082591 CDDEMRR C33H57N13O14S2 923.359 NA PeJP NA NA +PJ082592 SVMMMYY C41H61N7O11S3 923.3591 NA PeJP NA NA +PJ082593 SSNNMWW C41H53N11O12S 923.3596 NA PeJP NA NA +PJ082594 SSSSNQEW C37H53N11O17 923.3621 NA PeJP NA NA +PJ082595 GGGGGGAAEEY C37H53N11O17 923.3622 NA PeJP NA NA +PJ082596 GDEMMRW C38H57N11O12S2 923.363 NA PeJP NA NA +PJ082597 SEMWWW C46H53N9O10S 923.3636 NA PeJP NA NA +PJ082598 GPCEFWW C46H53N9O10S 923.3637 NA PeJP NA NA +PJ082599 GSSEEEMR C34H57N11O17S 923.3655 NA PeJP NA NA +PJ082600 SSTEEWW C42H53N9O15 923.3661 NA PeJP NA NA +PJ082601 GGSPEEYW C42H53N9O15 923.3662 NA PeJP NA NA +PJ082602 GSPDMMMR C35H61N11O12S3 923.3664 NA PeJP NA NA +PJ082603 NDDMHHR C35H53N15O13S 923.3668 NA PeJP NA NA +PJ082604 GGDDMHHR C35H53N15O13S 923.3669 NA PeJP NA NA +PJ082605 AAEMMWW C43H57N9O10S2 923.367 NA PeJP NA NA +PJ082606 GSDHHWW C43H49N13O11 923.3675 NA PeJP NA NA +PJ082607 CCCHFRR C36H57N15O8S3 923.3677 NA PeJP NA NA +PJ082608 SDKEEMW C39H57N9O15S 923.3695 NA PeJP NA NA +PJ082609 TEYYYW C47H53N7O13 923.3702 NA PeJP NA NA +PJ082610 PTQMMMW C40H61N9O10S3 923.3704 NA PeJP NA NA +PJ082611 GQEMHHW C40H53N13O11S 923.3709 NA PeJP NA NA +PJ082612 MMFFYW C48H57N7O8S2 923.371 NA PeJP NA NA +PJ082613 SSSKEEEE C35H57N9O20 923.372 NA PeJP NA NA +PJ082614 QKEEEMM C36H61N9O15S2 923.3729 NA PeJP NA NA +PJ082615 GSNNNQQY C36H53N13O16 923.3733 NA PeJP NA NA +PJ082616 NNNDERY C36H53N13O16 923.3734 NA PeJP NA NA +PJ082617 GVEMYYY C44H57N7O13S 923.3735 NA PeJP NA NA +PJ082618 GPVQMMMM C37H65N9O10S4 923.3738 NA PeJP NA NA +PJ082619 SCNQMRW C37H57N13O11S2 923.3742 NA PeJP NA NA +PJ082620 GGGGAPCCFR C37H57N13O11S2 923.3743 NA PeJP NA NA +PJ082621 AMMMFFF C45H61N7O8S3 923.3744 NA PeJP NA NA +PJ082622 NNEHHHH C37H49N17O12 923.3747 NA PeJP NA NA +PJ082623 GCQHFFW C45H53N11O9S 923.3749 NA PeJP NA NA +PJ082624 LEEEEEF C40H57N7O18 923.376 NA PeJP NA NA +PJ082625 SSSNNEMR C33H57N13O16S 923.3767 NA PeJP NA NA +PJ082626 GGGGGGGSSTCK C33H57N13O16S 923.3768 NA PeJP NA NA +PJ082627 GSSSSQWW C41H53N11O14 923.3774 NA PeJP NA NA +PJ082628 NNQMMMR C34H61N13O11S3 923.3776 NA PeJP NA NA +PJ082629 GSCNNHHR C34H53N17O12S 923.3781 NA PeJP NA NA +PJ082630 ACCQKWW C42H57N11O9S2 923.3782 NA PeJP NA NA +PJ082631 DMMRWW C42H57N11O9S2 923.3783 NA PeJP NA NA +PJ082632 PCFWWW C50H53N9O7S 923.3789 NA PeJP NA NA +PJ082633 GSSTQQMW C38H57N11O14S 923.3807 NA PeJP NA NA +PJ082634 SSEEMRW C38H57N11O14S 923.3808 NA PeJP NA NA +PJ082635 GSPEYWW C46H53N9O12 923.3814 NA PeJP NA NA +PJ082636 PTCMMRW C39H61N11O9S3 923.3816 NA PeJP NA NA +PJ082637 GCEHHRW C39H53N15O10S 923.3821 NA PeJP NA NA +PJ082638 CLMWWW C47H57N9O7S2 923.3823 NA PeJP NA NA +PJ082639 SSSTEEER C34H57N11O19 923.3832 NA PeJP NA NA +PJ082640 TTTTDDDR C34H57N11O19 923.3833 NA PeJP NA NA +PJ082641 TQEEMMR C35H61N11O14S2 923.3841 NA PeJP NA NA +PJ082642 GSSDEHHR C35H53N15O15 923.3846 NA PeJP NA NA +PJ082643 ATTEMWW C43H57N9O12S 923.3848 NA PeJP NA NA +PJ082644 PQMMMMR C36H65N11O9S4 923.385 NA PeJP NA NA +PJ082645 DFFFYW C51H53N7O10 923.3854 NA PeJP NA NA +PJ082646 SCCNRRW C36H57N15O10S2 923.3855 NA PeJP NA NA +PJ082647 QMHHWW C44H53N13O8S 923.3861 NA PeJP NA NA +PJ082648 SSSSLEEW C39H57N9O17 923.3873 NA PeJP NA NA +8295 Fatty acid synthase inhibitor RKQEEDEDEEQQRE 923.3879 MH2+ Inhouse_peptide NA peptide +PJ082649 SSSCNDRR C32H57N15O15S 923.388 NA PeJP NA NA +PJ082650 AKEEMMW C40H61N9O12S2 923.3881 NA PeJP NA NA +PJ082651 GGTLEMMW C40H61N9O12S2 923.3882 NA PeJP NA NA +PJ082652 GNNDRYW C40H53N13O13 923.3886 NA PeJP NA NA +PJ082653 VMYYYW C48H57N7O10S 923.3888 NA PeJP NA NA +PJ082654 GGGGCMMRR C33H61N15O10S3 923.3889 NA PeJP NA NA +PJ082655 CLMHHHF C41H57N13O8S2 923.3895 NA PeJP NA NA +PJ082656 GNHHHHW C41H49N17O9 923.39 NA PeJP NA NA +PJ082657 SSTLQEEM C36H61N9O17S 923.3906 NA PeJP NA NA +PJ082658 GTTKEEEM C36H61N9O17S 923.3907 NA PeJP NA NA +PJ082659 SSLEYYY C44H57N7O15 923.3913 NA PeJP NA NA +PJ082660 GPTKEMMM C37H65N9O12S3 923.3915 NA PeJP NA NA +PJ082661 GSSSNMRW C37H57N13O13S 923.392 NA PeJP NA NA +PJ082662 GLMMFYY C45H61N7O10S2 923.3922 NA PeJP NA NA +PJ082663 NQQYWW C45H53N11O11 923.3926 NA PeJP NA NA +PJ082664 GGGGAAYWW C45H53N11O11 923.3927 NA PeJP NA NA +PJ082665 CCKMHFR C38H61N13O8S3 923.3929 NA PeJP NA NA +PJ082666 GSSSSSQER C33H57N13O18 923.3945 NA PeJP NA NA +PJ082667 ASTNNMMR C34H61N13O13S2 923.3953 NA PeJP NA NA +PJ082668 SDEMMRR C34H61N13O13S2 923.3954 NA PeJP NA NA +PJ082669 SSCQKWW C42H57N11O11S 923.396 NA PeJP NA NA +PJ082670 PCMMMRR C35H65N13O8S4 923.3962 NA PeJP NA NA +PJ082671 SPYWWW C50H53N9O9 923.3967 NA PeJP NA NA +PJ082672 CHHRWW C43H53N15O7S 923.3974 NA PeJP NA NA +PJ082673 SSSSNKEW C38H57N11O16 923.3985 NA PeJP NA NA +PJ082674 ATEMMRW C39H61N11O11S2 923.3994 NA PeJP NA NA +PJ082675 SSDHHRW C39H53N15O12 923.3998 NA PeJP NA NA +PJ082676 GGNQQHHF C39H53N15O12 923.3999 NA PeJP NA NA +PJ082677 AAPMYWW C47H57N9O9S 923.4 NA PeJP NA NA +PJ082678 CCCQRRR C32H61N17O9S3 923.4001 NA PeJP NA NA +PJ082679 GTTTEEMR C35H61N11O16S 923.4019 NA PeJP NA NA +PJ082680 TTTTEWW C43H57N9O14 923.4025 NA PeJP NA NA +PJ082681 ASPTMMMR C36H65N11O11S3 923.4027 NA PeJP NA NA +PJ082682 VQEMMMR C36H65N11O11S3 923.4028 NA PeJP NA NA +PJ082683 CNNDFRR C36H57N15O12S 923.4032 NA PeJP NA NA +PJ082684 GTLMMWW C44H61N9O9S2 923.4034 NA PeJP NA NA +PJ082685 GTTHHWW C44H53N13O10 923.4039 NA PeJP NA NA +PJ082686 MFFFFW C52H57N7O7S 923.4041 NA PeJP NA NA +PJ082687 TTKEEMW C40H61N9O14S 923.4059 NA PeJP NA NA +PJ082688 GPVYYYY C48H57N7O12 923.4065 NA PeJP NA NA +PJ082689 GVEFFYY C48H57N7O12 923.4066 NA PeJP NA NA +PJ082690 PTKMMMW C41H65N9O9S3 923.4068 NA PeJP NA NA +PJ082691 GNNMFRW C41H57N13O10S 923.4072 NA PeJP NA NA +PJ082692 GGGNMFRW C41H57N13O10S 923.4073 NA PeJP NA NA +PJ082693 STTTKEEE C36H61N9O19 923.4084 NA PeJP NA NA +PJ082694 KKEEEMM C37H65N9O14S2 923.4093 NA PeJP NA NA +PJ082695 SSSSSQRW C37H57N13O15 923.4097 NA PeJP NA NA +PJ082696 GDEERRY C37H57N13O15 923.4098 NA PeJP NA NA +PJ082697 ATLMYYY C45H61N7O12S 923.4099 NA PeJP NA NA +PJ082698 GPVKMMMM C38H69N9O9S4 923.4102 NA PeJP NA NA +PJ082699 SCNKMRW C38H61N13O10S2 923.4106 NA PeJP NA NA +PJ082700 NDKHHHH C38H53N17O11 923.4111 NA PeJP NA NA +PJ082701 APPMHWW C46H57N11O8S 923.4113 NA PeJP NA NA +PJ082702 LLEEEEY C41H61N7O17 923.4124 NA PeJP NA NA +PJ082703 SSSNDKMR C34H61N13O15S 923.4131 NA PeJP NA NA +PJ082704 GSSSSKWW C42H57N11O13 923.4138 NA PeJP NA NA +PJ082705 AEMMMRR C35H65N13O10S3 923.414 NA PeJP NA NA +PJ082706 SCEHHRR C35H57N17O11S 923.4145 NA PeJP NA NA +PJ082707 ACCKKWW C43H61N11O8S2 923.4146 NA PeJP NA NA +PJ082708 PPNHHHW C43H53N15O9 923.4151 NA PeJP NA NA +PJ082709 TTTEMRW C39H61N11O13S 923.4171 NA PeJP NA NA +PJ082710 GGGGGPTKMY C39H61N11O13S 923.4172 NA PeJP NA NA +PJ082711 LQEYWW C47H57N9O11 923.4178 NA PeJP NA NA +PJ082712 GLMMMRW C40H65N11O8S3 923.418 NA PeJP NA NA +PJ082713 GTMHHRW C40H57N15O9S 923.4185 NA PeJP NA NA +PJ082714 STTTTEER C35H61N11O18 923.4196 NA PeJP NA NA +PJ082715 TKEEMMR C36H65N11O13S2 923.4205 NA PeJP NA NA +PJ082716 SNNDRRY C36H57N15O14 923.421 NA PeJP NA NA +PJ082717 STTLMWW C44H61N9O11S 923.4211 NA PeJP NA NA +PJ082718 APKEMYW C44H61N9O11S 923.4212 NA PeJP NA NA +PJ082719 PKMMMMR C37H69N11O8S4 923.4214 NA PeJP NA NA +PJ082720 VFFYYW C52H57N7O9 923.4218 NA PeJP NA NA +PJ082721 VNMMHHR C37H61N15O9S2 923.4219 NA PeJP NA NA +PJ082722 SNHHHHR C37H53N19O10 923.4223 NA PeJP NA NA +PJ082723 KMHHWW C45H57N13O7S 923.4225 NA PeJP NA NA +PJ082724 SSPTLQEY C40H61N9O16 923.4236 NA PeJP NA NA +PJ082725 SSTTTLEW C40H61N9O16 923.4237 NA PeJP NA NA +PJ082726 SSSSNMRR C33H61N15O14S 923.4243 NA PeJP NA NA +PJ082727 GGSSSSMRR C33H61N15O14S 923.4244 NA PeJP NA NA +PJ082728 SLKEMMW C41H65N9O11S2 923.4245 NA PeJP NA NA +PJ082729 DERRYW C41H57N13O12 923.425 NA PeJP NA NA +PJ082730 GLMFFFY C49H61N7O9S 923.4252 NA PeJP NA NA +3723 NA WWPKHNG 923.4259 ACE inhibitor Inhouse_peptide NA peptide +PJ082731 SSTLKEEM C37H65N9O16S 923.427 NA PeJP NA NA +PJ082732 TTTLYYY C45H61N7O14 923.4277 NA PeJP NA NA +PJ082733 AALKEMMM C38H69N9O11S3 923.4279 NA PeJP NA NA +PJ082734 GSSTCKRW C38H61N13O12S 923.4284 NA PeJP NA NA +PJ082735 VDRYWW C46H57N11O10 923.429 NA PeJP NA NA +PJ082736 GSSSSSKER C34H61N13O17 923.4309 NA PeJP NA NA +PJ082737 TTEMMRR C35H65N13O12S2 923.4317 NA PeJP NA NA +PJ082738 GGGSTKMMR C35H65N13O12S2 923.4318 NA PeJP NA NA +PJ082739 NNQQQHR C35H57N17O13 923.4322 NA PeJP NA NA +PJ082740 GGGGGGGGGVHR C35H57N17O13 923.4323 NA PeJP NA NA +PJ082741 SSCKKWW C43H61N11O10S 923.4324 NA PeJP NA NA +PJ082742 ALYWWW C51H57N9O8 923.433 NA PeJP NA NA +PJ082743 GMMHHRR C36H61N17O8S2 923.4331 NA PeJP NA NA +PJ082744 SSSSDKKW C39H61N11O15 923.4349 NA PeJP NA NA +PJ082745 STLMMRW C40H65N11O10S2 923.4358 NA PeJP NA NA +PJ082746 STTHHRW C40H57N15O11 923.4362 NA PeJP NA NA +PJ082747 GGGGPTHRW C40H57N15O11 923.4363 NA PeJP NA NA +PJ082748 AALMFWW C48H61N9O8S 923.4364 NA PeJP NA NA +PJ082749 CCCKRRR C33H65N17O8S3 923.4365 NA PeJP NA NA +PJ082750 SSTTLEMR C36H65N11O15S 923.4383 NA PeJP NA NA +PJ082751 GLKEEYW C44H61N9O13 923.4389 NA PeJP NA NA +PJ082752 VKEMMMR C37H69N11O10S3 923.4391 NA PeJP NA NA +PJ082753 GGAAKKMMM C37H69N11O10S3 923.4392 NA PeJP NA NA +PJ082754 GNQMRRY C37H61N15O11S 923.4396 NA PeJP NA NA +PJ082755 PCLKMFW C45H65N9O8S2 923.4398 NA PeJP NA NA +PJ082756 GPNKHWW C45H57N13O9 923.4403 NA PeJP NA NA +PJ082757 GSSSSSTRR C33H61N15O16 923.4421 NA PeJP NA NA +PJ082758 SSSTLLMW C41H65N9O13S 923.4423 NA PeJP NA NA +PJ082759 GVLFYYY C49H61N7O11 923.4429 NA PeJP NA NA +PJ082760 GSSCKMRR C34H65N15O11S2 923.443 NA PeJP NA NA +PJ082761 VVKMMMW C42H69N9O8S3 923.4432 NA PeJP NA NA +PJ082762 NNNNHRR C34H57N19O12 923.4434 NA PeJP NA NA +PJ082763 GGNNNHRR C34H57N19O12 923.4435 NA PeJP NA NA +PJ082764 EMFRRW C42H61N13O9S 923.4436 NA PeJP NA NA +PJ082765 PLHWWW C50H57N11O7 923.4443 NA PeJP NA NA +PJ082766 SSSSTTLLE C37H65N9O18 923.4448 NA PeJP NA NA +PJ082767 STTILQMM C38H69N9O13S2 923.4456 NA PeJP NA NA +PJ082768 ATTLKEMM C38H69N9O13S2 923.4457 NA PeJP NA NA +PJ082769 SSSSSKRW C38H61N13O14 923.4461 NA PeJP NA NA +PJ082770 GGGGGGGSKKY C38H61N13O14 923.4462 NA PeJP NA NA +PJ082771 TCCKKRW C39H65N13O9S2 923.447 NA PeJP NA NA +PJ082772 GDHHFRR C39H57N17O10 923.4475 NA PeJP NA NA +PJ082773 VMFRWW C47H61N11O7S 923.4477 NA PeJP NA NA +PJ082774 SSSTQKMR C35H65N13O14S 923.4495 NA PeJP NA NA +PJ082775 ASLERYW C43H61N11O12 923.4501 NA PeJP NA NA +PJ082776 GTLERYW C43H61N11O12 923.4502 NA PeJP NA NA +PJ082777 SLMMMRR C36H69N13O9S3 923.4504 NA PeJP NA NA +PJ082778 GCNRRRY C36H61N17O10S 923.4508 NA PeJP NA NA +PJ082779 GGGCRRRY C36H61N17O10S 923.4509 NA PeJP NA NA +PJ082780 AAHHFRW C44H57N15O8 923.4515 NA PeJP NA NA +MJ097825 Albopeptin B C40H65N11O12S 923.453487 NA MeJP NA NA +PJ082781 GSSTKKMW C40H65N11O12S 923.4535 NA PeJP NA NA +PJ082782 GGGGAAPPPLM C40H65N11O12S 923.4536 NA PeJP NA NA +PJ082783 LKEYWW C48H61N9O10 923.4542 NA PeJP NA NA +PJ082784 PCKHHFR C41H61N15O8S 923.4549 NA PeJP NA NA +PJ082785 GSSSTTKKE C36H65N11O17 923.456 NA PeJP NA NA +PJ082786 SSSLLMMR C37H69N11O12S2 923.4569 NA PeJP NA NA +PJ082787 SSQQRRY C37H61N15O13 923.4574 NA PeJP NA NA +PJ082788 SPLKMYW C45H65N9O10S 923.4575 NA PeJP NA NA +PJ082789 GAALLMYW C45H65N9O10S 923.4576 NA PeJP NA NA +PJ082790 PPMMHRR C38H65N15O8S2 923.4582 NA PeJP NA NA +PJ082791 TTTTTTLW C41H65N9O15 923.46 NA PeJP NA NA +PJ082792 VKKEEEY C41H65N9O15 923.4601 NA PeJP NA NA +PJ082793 SSSTCKRR C34H65N15O13S 923.4607 NA PeJP NA NA +PJ082794 AAPLKMMY C42H69N9O10S2 923.4609 NA PeJP NA NA +PJ082795 GSQKRYW C42H61N13O11 923.4614 NA PeJP NA NA +PJ082796 CCKKMRR C35H69N15O8S3 923.4616 NA PeJP NA NA +PJ082797 TTTTLKEM C38H69N9O15S 923.4634 NA PeJP NA NA +PJ082798 GTLLKMMM C39H73N9O10S3 923.4643 NA PeJP NA NA +PJ082799 AQQKMRY C39H65N13O11S 923.4647 NA PeJP NA NA +PJ082800 GLEMRRY C39H65N13O11S 923.4648 NA PeJP NA NA +PJ082801 TLRYWW C47H61N11O9 923.4654 NA PeJP NA NA +MJ097826 Ganefromycin ?1; 13-Me ether, 23-O-phenylacetyl, 32-O-(2,6-dideoxy-?-L-galactopyranoside) C50H69NO15 923.46672 NA MeJP NA NA +MJ097827 Ganefromycin ?1; 13-Me ether, 24-O-phenylacetyl, 32-O-(2,6-dideoxy-?-L-galactopyranoside) C50H69NO15 923.46672 NA MeJP NA NA +PJ082802 SSSSSSVKR C35H65N13O16 923.4672 NA PeJP NA NA +PJ082803 GSSSTTTKR C35H65N13O16 923.4673 NA PeJP NA NA +PJ082804 GSSKKMMR C36H69N13O11S2 923.4681 NA PeJP NA NA +PJ082805 AQQEHRR C36H61N17O12 923.4686 NA PeJP NA NA +PJ082806 GVLMRYW C44H65N11O9S 923.4688 NA PeJP NA NA +PJ082807 SSSTTKKW C40H65N11O14 923.4713 NA PeJP NA NA +PJ082808 VLQMMFR C41H69N11O9S2 923.4721 NA PeJP NA NA +PJ082809 TCKKKMW C41H69N11O9S2 923.4722 NA PeJP NA NA +PJ082810 SPNKHRW C41H61N15O10 923.4726 NA PeJP NA NA +PJ082811 TTTTTLMR C37H69N11O14S 923.4746 NA PeJP NA NA +PJ082812 GSSSSLKKM C37H69N11O14S 923.4747 NA PeJP NA NA +PJ082813 SVLKEYW C45H65N9O12 923.4753 NA PeJP NA NA +PJ082814 QKKKMMM C38H73N11O9S3 923.4755 NA PeJP NA NA +PJ082815 GNKMRRY C38H65N15O10S 923.476 NA PeJP NA NA +PJ082816 PFRRYW C46H61N13O8 923.4766 NA PeJP NA NA +PJ082817 GLKHHFW C46H61N13O8 923.4767 NA PeJP NA NA +PJ082818 LLQKEMY C42H69N9O12S 923.4787 NA PeJP NA NA +PJ082819 GNEHRRR C35H61N19O11 923.4798 NA PeJP NA NA +PJ082820 GGGEHRRR C35H61N19O11 923.4799 NA PeJP NA NA +PJ082821 LMRRYW C43H65N13O8S 923.48 NA PeJP NA NA +PJ082822 SSTTTTTLL C38H69N9O17 923.4812 NA PeJP NA NA +PJ082823 STTLLKMM C39H73N9O12S2 923.482 NA PeJP NA NA +PJ082824 STLERRY C39H65N13O13 923.4825 NA PeJP NA NA +PJ082825 GGGGGGGAPPLK C39H65N13O13 923.4826 NA PeJP NA NA +PJ082826 ALMMFRR C40H69N13O8S2 923.4834 NA PeJP NA NA +PJ082827 AAQHRRW C40H61N17O9 923.4839 NA PeJP NA NA +PJ082828 SSSTKKMR C36H69N13O13S 923.4859 NA PeJP NA NA +PJ082829 SSLLRYW C44H65N11O11 923.4865 NA PeJP NA NA +MJ097828 Aedes aegypti Allatostatins; Allatostatin 1 C44H65N11O11 923.486501 NA MeJP NA NA +PJ082830 GGLLLEHW C44H65N11O11 923.4866 NA PeJP NA NA +PJ082831 CKKKMMR C37H73N13O8S3 923.4868 NA PeJP NA NA +PJ082832 PCQKHRR C37H65N17O9S 923.4872 NA PeJP NA NA +MJ097829 Amphotericin B C47H73NO17 923.487849 NA MeJP NA NA +C06573 Amphotericin B C47H73NO17 923.4879 NA KEGG NA NA +PJ082833 VVKEMRY C41H69N11O11S 923.4899 NA PeJP NA NA +PJ082834 APLKFYW C49H65N9O9 923.4906 NA PeJP NA NA +PJ082835 SSSSSTLKK C37H69N11O16 923.4924 NA PeJP NA NA +PJ082836 GTTKKKMM C38H73N11O11S2 923.4933 NA PeJP NA NA +PJ082837 SSQKRRY C38H65N15O12 923.4937 NA PeJP NA NA +PJ082838 GGSTKRRY C38H65N15O12 923.4938 NA PeJP NA NA +PJ082839 ALLKMYW C46H69N9O9S 923.4939 NA PeJP NA NA +PJ082840 NHRRRW C39H61N19O8 923.4951 NA PeJP NA NA +PJ082841 GTTLLKEY C42H69N9O14 923.4964 NA PeJP NA NA +PJ082842 AAPPVVLEE C42H69N9O14 923.4965 NA PeJP NA NA +PJ082843 AALLKMMF C43H73N9O9S2 923.4973 NA PeJP NA NA +PJ082844 GSKKRYW C43H65N13O10 923.4978 NA PeJP NA NA +MJ097830 Cyanoginosin; Cyanoginosin LAba C47H69N7O12 923.50042 NA MeJP NA NA +PJ082845 SVLMRRY C40H69N13O10S 923.5011 NA PeJP NA NA +PJ082846 GAAKKMRY C40H69N13O10S 923.5012 NA PeJP NA NA +PJ082847 GLLLHWW C48H65N11O8 923.5018 NA PeJP NA NA +PJ082848 PPNERRR C37H65N17O11 923.505 NA PeJP NA NA +8284 antioxidative peptide HVRETALV 923.505 NA ;SYN:(S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoate; (S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid; 2-amino-5-guanidinovalerate; 2-amino-5-guanidinovaleric acid; 5-[(aminoiminomethyl)amino]-L-Norvaline; Arginine; L-(+)-Arginine; L-a-Amino-d-guanidinovalerate; L-a-Amino-d-guanidinovaleric acid; N5-(aminoiminomethyl)-L-Ornithine; L-alpha-Amino-delta-guanidinovalerate; L-alpha-Amino-delta-guanidinovaleric acid; (S)-2-amino-5-[(aminoiminomethyl)amino]-Pentanoic acid; (S)-2-amino-5-[(aminoiminomethyl)amino]-PentanoateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ082849 GKKKMFW C45H69N11O8S 923.5052 NA PeJP NA NA +PJ082850 GTTTLLRY C41H69N11O13 923.5077 NA PeJP NA NA +PJ082851 VLKMMFR C42H73N11O8S2 923.5085 NA PeJP NA NA +PJ082852 PPVNRRW C42H65N15O9 923.509 NA PeJP NA NA +PJ082853 STTTKKKM C38H73N11O13S 923.511 NA PeJP NA NA +PJ082854 TTLLKYW C46H69N9O11 923.5117 NA PeJP NA NA +PJ082855 KKKKMMM C39H77N11O8S3 923.5119 NA PeJP NA NA +PJ082856 ACKKRRY C39H69N15O9S 923.5124 NA PeJP NA NA +PJ082857 LFFRRW C47H65N13O7 923.513 NA PeJP NA NA +PJ082858 LLKKEMY C43H73N9O11S 923.5151 NA PeJP NA NA +PJ082859 GDKHRRR C36H65N19O10 923.5162 NA PeJP NA NA +PJ082860 SDKKKRY C40H69N13O12 923.5189 NA PeJP NA NA +PJ082861 GPPRRRW C41H65N17O8 923.5203 NA PeJP NA NA +PJ082862 ATKKKYW C45H69N11O10 923.5229 NA PeJP NA NA +PJ082863 PCKKHRR C38H69N17O8S 923.5236 NA PeJP NA NA +PJ082864 TLLKMRY C42H73N11O10S 923.5263 NA PeJP NA NA +PJ082865 ALLKFFW C50H69N9O8 923.5269 NA PeJP NA NA +PJ082866 PPLLLWW C50H69N9O8 923.527 NA PeJP NA NA +PJ082867 GSHRRRR C35H65N21O9 923.5275 NA PeJP NA NA +PJ082868 SSKKRRY C39H69N15O11 923.5301 NA PeJP NA NA +PJ082869 AAPPKERR C39H69N15O11 923.5302 NA PeJP NA NA +PJ082870 SSTLLLKY C43H73N9O13 923.5328 NA PeJP NA NA +PJ082871 SLLLHRW C44H69N13O9 923.5342 NA PeJP NA NA +PJ082872 AKKKMRY C41H73N13O9S 923.5375 NA PeJP NA NA +PJ082873 PPDKRRR C38H69N17O10 923.5414 NA PeJP NA NA +PJ082874 TKKKKEY C42H73N11O12 923.544 NA PeJP NA NA +PJ082875 GSTLKKKY C42H73N11O12 923.5441 NA PeJP NA NA +PJ082876 GLKKHRW C43H69N15O8 923.5454 NA PeJP NA NA +PJ082877 SPPVLLLW C47H73N9O10 923.5481 NA PeJP NA NA +PJ082878 VLLMHRR C40H73N15O8S 923.5488 NA PeJP NA NA +PJ082879 PPLLLLQM C44H77N9O10S 923.5515 NA PeJP NA NA +PJ082880 SPPRRRR C37H69N19O9 923.5526 NA PeJP NA NA +PJ082881 TTKKKRY C41H73N13O11 923.5553 NA PeJP NA NA +PJ082882 GPPVLKKW C46H73N11O9 923.5593 NA PeJP NA NA +PJ082883 VKKKKMY C43H77N11O9S 923.5627 NA PeJP NA NA +PJ082884 GPPTLKRR C40H73N15O10 923.5665 NA PeJP NA NA +PJ082885 PVLLLLQE C44H77N9O12 923.5692 NA PeJP NA NA +PJ082886 AKKKFFR C45H73N13O8 923.5705 NA PeJP NA NA +PJ082887 PPLKKRW C45H73N13O8 923.5706 NA PeJP NA NA +PJ082888 PVLQRRR C39H73N17O9 923.5778 NA PeJP NA NA +PJ082889 APLLLLER C43H77N11O11 923.5804 NA PeJP NA NA +PJ082890 PVVVLLER C43H77N11O11 923.5805 NA PeJP NA NA +PJ082891 GPLLLLLW C48H77N9O9 923.5845 NA PeJP NA NA +PJ082892 PPLLLLKM C45H81N9O9S 923.5878 NA PeJP NA NA +PJ082893 APLRRRR C38H73N19O8 923.589 NA PeJP NA NA +PJ082894 SPPVLKKR C42H77N13O10 923.5917 NA PeJP NA NA +PJ082895 VKKKKFF C47H77N11O8 923.5957 NA PeJP NA NA +PJ082896 AAPLLKRR C41H77N15O9 923.6029 NA PeJP NA NA +PJ082897 PVLLLLKE C45H81N9O11 923.6056 NA PeJP NA NA +PJ082898 PVLKRRR C40H77N17O8 923.6142 NA PeJP NA NA +PJ082899 SPLLLLLR C44H81N11O10 923.6168 NA PeJP NA NA +PJ082900 GPLLLKKR C43H81N13O9 923.6281 NA PeJP NA NA +PJ082901 KKKKKKH C42H81N15O8 923.6393 NA PeJP NA NA +PJ082902 VLLLLLLQ C46H85N9O10 923.642 NA PeJP NA NA +PJ082903 ALLLLLLR C45H85N11O9 923.6532 NA PeJP NA NA +PJ082904 VLLLLLLK C47H89N9O9 923.6784 NA PeJP NA NA +HMDB08618 PC(22:2(13Z,16Z)/24:1(15Z)) C54H102NO8P 923.734314 NA HMDB2010 NA NA +HMDB08810 PC(24:1(15Z)/22:2(13Z,16Z)) C54H102NO8P 923.734314 NA HMDB2010 NA NA +3050 kinases inhibitor YCQRTLREIQILLRF 924.0295 MH2+ Inhouse_peptide NA peptide +MJ097831 Euphormisin M2 C40H28O26 924.086881 NA MeJP NA NA +MJ097832 proto-Quercitol, Pentakis-O-(3,4,5-trihydroxybenzoyl) C41H32O25 924.123266 NA MeJP NA NA +MJ097833 scyllo-Quercitol; Pentakis-O-(3,4,5-trihydroxybenzoyl) C41H32O25 924.123266 NA MeJP NA NA +PJ082905 GCCCCCCCQ C28H48N10O11S7 924.1549 NA PeJP NA NA +PJ082906 GGACCCCCCC C28H48N10O11S7 924.155 NA PeJP NA NA +C15489 S-2-(Indol-3-yl)acetyl-CoA C31H43N8O17P3S 924.168 NA KEGG NA NA +PJ082907 SSCCCCCCN C28H48N10O13S6 924.1727 NA PeJP NA NA +PJ082908 CCCCCEMM C30H52N8O11S7 924.1801 NA PeJP NA NA +PJ082909 GCCCCCCCK C29H52N10O10S7 924.1913 NA PeJP NA NA +PJ082910 CCCCCDEF C33H48N8O13S5 924.1945 NA PeJP NA NA +PJ082911 CCCDDDDH C31H44N10O17S3 924.2049 NA PeJP NA NA +PJ082912 CCCCCNNY C32H48N10O12S5 924.2057 NA PeJP NA NA +PJ082913 SCCCCDEY C33H48N8O15S4 924.2122 NA PeJP NA NA +PJ082914 PCCCCCMY C34H52N8O10S6 924.2131 NA PeJP NA NA +PJ082915 TCCCCMMM C31H56N8O10S7 924.2165 NA PeJP NA NA +PJ082916 GCCCDMMY C34H52N8O12S5 924.2309 NA PeJP NA NA +PJ082917 CCCCNNEH C31H48N12O13S4 924.2347 NA PeJP NA NA +PJ082918 CNNDDDDD C31H44N10O21S 924.2404 NA PeJP NA NA +PJ082919 SCCDDDMH C32H48N10O16S3 924.2412 NA PeJP NA NA +PJ082920 PCCCCEMH C33H52N10O11S5 924.2421 NA PeJP NA NA +PJ082921 GCCCDDFY C37H48N8O14S3 924.2453 NA PeJP NA NA +PJ082922 PCCCCCFF C38H52N8O9S5 924.2461 NA PeJP NA NA +PJ082923 SDDDDDDE C32H44N8O24 924.2469 NA PeJP NA NA +PJ082924 PCDDDDDM C33H48N8O19S2 924.2478 NA PeJP NA NA +PJ082925 SSCCCEMY C34H52N8O14S4 924.2486 NA PeJP NA NA +PJ082926 GCCCMMMF C35H56N8O9S6 924.2495 NA PeJP NA NA +PJ082927 GCCCCNHW C35H48N12O10S4 924.25 NA PeJP NA NA +PJ082928 GSSCCCNDH C31H48N12O15S3 924.2525 NA PeJP NA NA +PJ082929 GSPCCNDDD C32H48N10O18S2 924.259 NA PeJP NA NA +PJ082930 GCCDEMMH C33H52N10O13S4 924.2599 NA PeJP NA NA +PJ082931 GSCCDDYY C37H48N8O16S2 924.263 NA PeJP NA NA +PJ082932 APCCCCYY C38H52N8O11S4 924.2639 NA PeJP NA NA +PJ082933 GDDDDEEM C33H48N8O21S 924.2655 NA PeJP NA NA +PJ082934 GSCCMMMY C35H56N8O11S5 924.2672 NA PeJP NA NA +MJ097834 Sucrose; 1'-O-(4-Hydroxy-E-cinnamoyl), 3',6'-bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 2,6-di-Ac C45H48O21 924.268808 NA MeJP NA NA +PJ082935 CCNNNNDE C31H48N12O17S2 924.2702 NA PeJP NA NA +PJ082936 GGGGGGGGCCDE C31H48N12O17S2 924.2703 NA PeJP NA NA +PJ082937 SCCCNQMH C32H52N12O12S4 924.2711 NA PeJP NA NA +PJ082938 GCCDDEHF C36H48N10O15S2 924.2743 NA PeJP NA NA +PJ082939 CCDMMHW C37H52N10O10S4 924.2751 NA PeJP NA NA +PJ082940 SNNDDDDM C32H48N10O20S 924.2767 NA PeJP NA NA +PJ082941 GGSNDDDDM C32H48N10O20S 924.2768 NA PeJP NA NA +PJ082942 SSCDDMMH C33H52N10O15S3 924.2776 NA PeJP NA NA +MJ097835 Kobophenol A C56H44O13 924.278191 NA MeJP NA NA +PJ082943 PTCCCMMH C34H56N10O10S5 924.2785 NA PeJP NA NA +PJ082944 GCCCEHHH C34H48N14O11S3 924.279 NA PeJP NA NA +PJ082945 DDDDEMW C37H48N8O18S 924.2808 NA PeJP NA NA +PJ082946 CCNEMYY C38H52N8O13S3 924.2816 NA PeJP NA NA +PJ082947 SCCCCNHR C31H52N14O11S4 924.2823 NA PeJP NA NA +PJ082948 SSDDDEEE C33H48N8O23 924.2833 NA PeJP NA NA +PJ082949 SPDDDDMM C34H52N8O18S2 924.2841 NA PeJP NA NA +PJ082950 GDDDDDHH C34H44N12O19 924.2846 NA PeJP NA NA +PJ082951 SSTCCMMY C35H56N8O13S4 924.285 NA PeJP NA NA +MJ097836 Rubroside G; 2'-O-[5-Deoxy-?-D-arabinofuranosyl-(1?4)-?-D-xylopyranosyl] C43H54Cl2N2O16 924.285039 NA MeJP NA NA +PJ082952 GCCNNNDW C35H48N12O14S2 924.2855 NA PeJP NA NA +PJ082953 GSSCNNNDD C31H48N12O19S 924.288 NA PeJP NA NA +PJ082954 GSSSCCNMH C32H52N12O14S3 924.2888 NA PeJP NA NA +PJ082955 PCCCNDDR C32H52N12O14S3 924.2889 NA PeJP NA NA +PJ082956 CCDDHFW C40H48N10O12S2 924.2895 NA PeJP NA NA +PJ082957 GSCNDDEW C36H48N10O17S 924.292 NA PeJP NA NA +PJ082958 GPCCNDMW C37H52N10O12S3 924.2929 NA PeJP NA NA +PJ082959 CCCHHHW C38H48N14O8S3 924.2942 NA PeJP NA NA +PJ082960 GSSSNDDDE C32H48N10O22 924.2945 NA PeJP NA NA +PJ082961 GNNDDEMM C33H52N10O17S2 924.2954 NA PeJP NA NA +PJ082962 GSCEMMMH C34H56N10O12S4 924.2962 NA PeJP NA NA +PJ082963 GGGPPTCCCM C34H56N10O12S4 924.2963 NA PeJP NA NA +PJ082964 SSCCDHHH C34H48N14O13S2 924.2967 NA PeJP NA NA +PJ082965 GCCMYYW C42H52N8O10S3 924.2969 NA PeJP NA NA +PJ082966 GPDDDDEY C37H48N8O20 924.2985 NA PeJP NA NA +PJ082967 GSSCDMYY C38H52N8O15S2 924.2994 NA PeJP NA NA +PJ082968 CCQMMFY C39H56N8O10S4 924.3003 NA PeJP NA NA +PJ082969 GSDEEEEM C34H52N8O20S 924.3019 NA PeJP NA NA +PJ082970 GPDDEMMM C35H56N8O15S3 924.3028 NA PeJP NA NA +PJ082971 SPCDDDHH C35H48N12O16S 924.3032 NA PeJP NA NA +PJ082972 GCCNNMHF C36H52N12O11S3 924.3041 NA PeJP NA NA +PJ082973 GCNDDDMR C32H52N12O16S2 924.3066 NA PeJP NA NA +HMDB06692 Disialyllactose C34H56N2O27 924.307068 NA HMDB2010 NA NA +HMDB06692 Disialyllactose C34H56N2O27 924.30707 http://www.hmdb.ca/metabolites/HMDB06692 HMDB NA NA +HMDB06692 Disialyllactose C34H56N2O27 924.30707 HMDB06692 PFEM_hmdb_metabocards_official NA NA +PJ082974 SCNDDWW C40H48N10O14S 924.3072 NA PeJP NA NA +PJ082975 GGSCDDWW C40H48N10O14S 924.3073 NA PeJP NA NA +PJ082976 GSPPCCCCR C33H56N12O11S4 924.3075 NA PeJP NA NA +PJ082977 PCCCQWW C41H52N10O9S3 924.3081 NA PeJP NA NA +PJ082978 SSSNDDDW C36H48N10O19 924.3098 NA PeJP NA NA +PJ082979 NNDDMMW C37H52N10O14S2 924.3106 NA PeJP NA NA +PJ082980 SCMMMHW C38H56N10O9S4 924.3115 NA PeJP NA NA +PJ082981 SSNNDEEM C33H52N10O19S 924.3131 NA PeJP NA NA +PJ082982 PDDDDYW C41H48N8O17 924.3138 NA PeJP NA NA +PJ082983 SSSDMMMH C34H56N10O14S3 924.314 NA PeJP NA NA +PJ082984 GCNNDEHH C34H48N14O15S 924.3145 NA PeJP NA NA +PJ082985 STCCYYW C42H52N8O12S2 924.3146 NA PeJP NA NA +PJ082986 GGCCEFFY C42H52N8O12S2 924.3147 NA PeJP NA NA +PJ082987 NMMMMMH C35H60N10O9S5 924.3149 NA PeJP NA NA +PJ082988 GTCCMHHH C35H52N14O10S3 924.3153 NA PeJP NA NA +PJ082989 SDEEEMW C38H52N8O17S 924.3171 NA PeJP NA NA +PJ082990 TDDEEMW C38H52N8O17S 924.3172 NA PeJP NA NA +PJ082991 SCCNNNDR C31H52N14O15S2 924.3178 NA PeJP NA NA +PJ082992 GGGGSCCNDR C31H52N14O15S2 924.3179 NA PeJP NA NA +PJ082993 PDDMMMW C39H56N8O12S3 924.318 NA PeJP NA NA +PJ082994 SSSEEEEE C34H52N8O22 924.3197 NA PeJP NA NA +PJ082995 QEEEEMM C35H56N8O17S2 924.3205 NA PeJP NA NA +PJ082996 GNNNNDDY C35H48N12O18 924.321 NA PeJP NA NA +PJ082997 SPPCEMMM C36H60N8O12S4 924.3214 NA PeJP NA NA +PJ082998 CCNDERW C36H52N12O13S2 924.3219 NA PeJP NA NA +PJ082999 ASSSCNNNE C32H52N12O18S 924.3243 NA PeJP NA NA +PJ083000 SSCNDDER C32H52N12O18S 924.3244 NA PeJP NA NA +PJ083001 NNDDDFW C40H48N10O16 924.325 NA PeJP NA NA +PJ083002 SPCCNDMR C33H56N12O13S3 924.3252 NA PeJP NA NA +PJ083003 GGGGGGGGGMMM C33H56N12O13S3 924.3253 NA PeJP NA NA +PJ083004 GCNEMWW C41H52N10O11S2 924.3259 NA PeJP NA NA +PJ083005 GSSNDEMW C37H52N10O16S 924.3284 NA PeJP NA NA +PJ083006 SCCMRYY C38H56N10O11S3 924.3292 NA PeJP NA NA +PJ083007 GSPCNMMW C38H56N10O11S3 924.3293 NA PeJP NA NA +PJ083008 CNNDHHW C38H48N14O12S 924.3297 NA PeJP NA NA +PJ083009 GCCFFYW C46H52N8O9S2 924.3299 NA PeJP NA NA +PJ083010 GSSSSNEEE C33H52N10O21 924.3309 NA PeJP NA NA +PJ083011 VTCCDQQE C34H56N10O16S2 924.3317 NA PeJP NA NA +PJ083012 DDEEMMR C34H56N10O16S2 924.3318 NA PeJP NA NA +PJ083013 SSNNDDHH C34H48N14O17 924.3322 NA PeJP NA NA +PJ083014 PDDDMFW C42H52N8O14S 924.3324 NA PeJP NA NA +PJ083015 GSTMMMMH C35H60N10O11S4 924.3326 NA PeJP NA NA +PJ083016 SSSCMHHH C35H52N14O12S2 924.3331 NA PeJP NA NA +PJ083017 CCQMFFF C43H56N8O9S3 924.3333 NA PeJP NA NA +PJ083018 GSPDEEEY C38H52N8O19 924.3349 NA PeJP NA NA +PJ083019 AEEEMMW C39H56N8O14S2 924.3358 NA PeJP NA NA +PJ083020 SDDEHHW C39H48N12O15 924.3362 NA PeJP NA NA +PJ083021 TDDDHHW C39H48N12O15 924.3363 NA PeJP NA NA +PJ083022 GCCNNQMR C32H56N14O12S3 924.3365 NA PeJP NA NA +PJ083023 CCKMMFY C40H60N8O9S4 924.3366 NA PeJP NA NA +PJ083024 PPPCCMMF C40H60N8O9S4 924.3367 NA PeJP NA NA +PJ083025 GCCDRWW C40H52N12O10S2 924.3371 NA PeJP NA NA +PJ083026 GTTEEEEM C35H56N8O19S 924.3383 NA PeJP NA NA +PJ083027 ASPEEMMM C36H60N8O14S3 924.3391 NA PeJP NA NA +PJ083028 GPTEEMMM C36H60N8O14S3 924.3392 NA PeJP NA NA +PJ083029 GSSCDDRW C36H52N12O15S 924.3396 NA PeJP NA NA +PJ083030 GGGGGGGGGDMF C36H52N12O15S 924.3397 NA PeJP NA NA +PJ083031 GPPMMMMM C37H64N8O9S5 924.34 NA PeJP NA NA +PJ083032 GPTCCCRW C37H56N12O10S3 924.3405 NA PeJP NA NA +PJ083033 CNMWWW C45H52N10O8S2 924.3411 NA PeJP NA NA +PJ083034 GSSSSDDDR C32H52N12O20 924.3421 NA PeJP NA NA +PJ083035 GSNDDMMR C33H56N12O15S2 924.343 NA PeJP NA NA +PJ083036 SSNDMWW C41H52N10O13S 924.3436 NA PeJP NA NA +PJ083037 GGGGPCEYW C41H52N10O13S 924.3437 NA PeJP NA NA +PJ083038 GPCCQMMR C34H60N12O10S4 924.3439 NA PeJP NA NA +PJ083039 PCCCKWW C42H56N10O8S3 924.3445 NA PeJP NA NA +PJ083040 SSSSNEEW C37H52N10O18 924.3461 NA PeJP NA NA +PJ083041 GGGGQEEEY C37H52N10O18 924.3462 NA PeJP NA NA +PJ083042 SNQEMMW C38H56N10O13S2 924.347 NA PeJP NA NA +PJ083043 CQYYYW C46H52N8O11S 924.3476 NA PeJP NA NA +PJ083044 GACYYYW C46H52N8O11S 924.3477 NA PeJP NA NA +PJ083045 CNMHHHF C39H52N14O9S2 924.3484 NA PeJP NA NA +PJ083046 SSSQQEEM C34H56N10O18S 924.3495 NA PeJP NA NA +PJ083047 SSNEYYY C42H52N8O16 924.3501 NA PeJP NA NA +PJ083048 SPDEEYW C42H52N8O16 924.3502 NA PeJP NA NA +PJ083049 SSTTMMMH C35H60N10O13S3 924.3504 NA PeJP NA NA +PJ083050 DDDMHHR C35H52N14O14S 924.3509 NA PeJP NA NA +PJ083051 PPCEMYW C43H56N8O11S2 924.351 NA PeJP NA NA +PJ083052 TTEEEMW C39H56N8O16S 924.3535 NA PeJP NA NA +PJ083053 GSCCDERR C32H56N14O14S2 924.3542 NA PeJP NA NA +PJ083054 PTEMMMW C40H60N8O11S3 924.3544 NA PeJP NA NA +PJ083055 CNNNQFW C40H52N12O12S 924.3549 NA PeJP NA NA +PJ083056 GPCCCMRR C33H60N14O9S4 924.3551 NA PeJP NA NA +PJ083057 STTTEEEE C35H56N8O21 924.356 NA PeJP NA NA +PJ083058 KEEEEMM C36H60N8O16S2 924.3569 NA PeJP NA NA +PJ083059 GSSSSSNNW C36H52N12O17 924.3574 NA PeJP NA NA +PJ083060 GPVEMMMM C37H64N8O11S4 924.3578 NA PeJP NA NA +PJ083061 SCNEMRW C37H56N12O12S2 924.3582 NA PeJP NA NA +PJ083062 GGSCEMRW C37H56N12O12S2 924.3583 NA PeJP NA NA +PJ083063 NDEHHHH C37H48N16O13 924.3587 NA PeJP NA NA +PJ083064 GSTCWWW C45H52N10O10S 924.3589 NA PeJP NA NA +PJ083065 SSSNDEMR C33H56N12O17S 924.3607 NA PeJP NA NA +PJ083066 GGSSSDEMR C33H56N12O17S 924.3608 NA PeJP NA NA +PJ083067 GSSSSEWW C41H52N10O15 924.3614 NA PeJP NA NA +PJ083068 NNEMMMR C34H60N12O12S3 924.3616 NA PeJP NA NA +PJ083069 GSCNDHHR C34H52N16O13S 924.3621 NA PeJP NA NA +PJ083070 GSQMMWW C42H56N10O10S2 924.3623 NA PeJP NA NA +PJ083071 GSSTQEMW C38H56N10O15S 924.3648 NA PeJP NA NA +PJ083072 EEEFWW C46H52N8O13 924.3654 NA PeJP NA NA +PJ083073 AQQMMMW C39H60N10O10S3 924.3656 NA PeJP NA NA +PJ083074 GGGGVMMMW C39H60N10O10S3 924.3657 NA PeJP NA NA +PJ083075 SNNMHHW C39H52N14O11S 924.3661 NA PeJP NA NA +PJ083076 GSSSSDKEE C34H56N10O20 924.3673 NA PeJP NA NA +PJ083077 TEEEMMR C35H60N10O15S2 924.3681 NA PeJP NA NA +PJ083078 GGGGSSLEMM C35H60N10O15S2 924.3682 NA PeJP NA NA +PJ083079 GPNDDDHR C35H52N14O16 924.3686 NA PeJP NA NA +PJ083080 APEEMYW C43H56N8O13S 924.3688 NA PeJP NA NA +PJ083081 PEMMMMR C36H64N10O10S4 924.369 NA PeJP NA NA +PJ083082 SCCDRRW C36H56N14O11S2 924.3695 NA PeJP NA NA +PJ083083 CCKMFFF C44H60N8O8S3 924.3697 NA PeJP NA NA +PJ083084 EMHHWW C44H52N12O9S 924.3701 NA PeJP NA NA +PJ083085 VQEEEEY C39H56N8O18 924.3713 NA PeJP NA NA +PJ083086 SSSCDDRR C32H56N14O16S 924.372 NA PeJP NA NA +PJ083087 SLEEMMW C40H60N8O13S2 924.3722 NA PeJP NA NA +PJ083088 GNDDRYW C40H52N12O14 924.3726 NA PeJP NA NA +PJ083089 GGGGGGGGTYW C40H52N12O14 924.3727 NA PeJP NA NA +PJ083090 CNDMMRR C33H60N14O11S3 924.3728 NA PeJP NA NA +PJ083091 GGCDMMRR C33H60N14O11S3 924.3729 NA PeJP NA NA +PJ083092 PVMMMMW C41H64N8O8S4 924.373 NA PeJP NA NA +PJ083093 GSCMRWW C41H56N12O9S2 924.3735 NA PeJP NA NA +PJ083094 GDHHHHW C41H48N16O10 924.374 NA PeJP NA NA +PJ083095 CHFFWW C49H52N10O7S 924.3742 NA PeJP NA NA +PJ083096 SSTLEEEM C36H60N8O18S 924.3747 NA PeJP NA NA +PJ083097 AALEEMMM C37H64N8O13S3 924.3755 NA PeJP NA NA +PJ083098 GSSSDMRW C37H56N12O14S 924.376 NA PeJP NA NA +PJ083099 SSSSWWW C45H52N10O12 924.3766 NA PeJP NA NA +PJ083100 GGQEYWW C45H52N10O12 924.3767 NA PeJP NA NA +PJ083101 GNMMMRW C38H60N12O9S3 924.3769 NA PeJP NA NA +PJ083102 GPTCHHHH C38H52N16O10S 924.3774 NA PeJP NA NA +PJ083103 GSSSSSEER C33H56N12O19 924.3785 NA PeJP NA NA +PJ083104 GSSQEMMR C34H60N12O14S2 924.3794 NA PeJP NA NA +PJ083105 GNNNNQQH C34H52N16O15 924.3798 NA PeJP NA NA +PJ083106 GGGGGNNQQH C34H52N16O15 924.3799 NA PeJP NA NA +PJ083107 SSTQMWW C42H56N10O12S 924.38 NA PeJP NA NA +PJ083108 GPCCKMMR C35H64N12O9S4 924.3803 NA PeJP NA NA +PJ083109 CNQMHHR C35H56N16O10S2 924.3807 NA PeJP NA NA +PJ083110 SSSSDKEW C38H56N10O17 924.3825 NA PeJP NA NA +PJ083111 GGGGPPPEEE C38H56N10O17 924.3826 NA PeJP NA NA +PJ083112 SNKEMMW C39H60N10O12S2 924.3834 NA PeJP NA NA +PJ083113 GSSSQHHW C39H52N14O13 924.3839 NA PeJP NA NA +PJ083114 CKYYYW C47H56N8O10S 924.384 NA PeJP NA NA +PJ083115 PPCEFFW C47H56N8O10S 924.3841 NA PeJP NA NA +PJ083116 SSSQKEEM C35H60N10O17S 924.3859 NA PeJP NA NA +PJ083117 PTTEEYW C43H56N8O15 924.3865 NA PeJP NA NA +PJ083118 GLEEEYW C43H56N8O15 924.3866 NA PeJP NA NA +PJ083119 VEEMMMR C36H64N10O12S3 924.3868 NA PeJP NA NA +PJ083120 NNNNMRY C36H56N14O13S 924.3872 NA PeJP NA NA +PJ083121 GGGGGGNMRY C36H56N14O13S 924.3873 NA PeJP NA NA +PJ083122 PPTMMYW C44H60N8O10S2 924.3874 NA PeJP NA NA +PJ083123 GPNEHWW C44H52N12O11 924.3879 NA PeJP NA NA +PJ083124 ACCMRRW C37H60N14O8S3 924.3881 NA PeJP NA NA +PJ083125 SSSSSSNNR C32H56N14O18 924.3897 NA PeJP NA NA +PJ083126 PKEEEMY C40H60N8O15S 924.3899 NA PeJP NA NA +PJ083127 GSSCEMRR C33H60N14O13S2 924.3906 NA PeJP NA NA +PJ083128 VVEMMMW C41H64N8O10S3 924.3908 NA PeJP NA NA +PJ083129 SSTCRWW C41H56N12O11S 924.3912 NA PeJP NA NA +PJ083130 GGSPCRYW C41H56N12O11S 924.3913 NA PeJP NA NA +PJ083131 GQYWWW C49H52N10O9 924.3919 NA PeJP NA NA +PJ083132 GGCCHHRR C34H56N18O9S2 924.392 NA PeJP NA NA +PJ083133 ATTLEEMM C37H64N8O15S2 924.3933 NA PeJP NA NA +PJ083134 SNQEERY C37H56N12O16 924.3937 NA PeJP NA NA +PJ083135 SSSSSERW C37H56N12O16 924.3938 NA PeJP NA NA +PJ083136 APTLMMMM C38H68N8O10S4 924.3942 NA PeJP NA NA +PJ083137 SSQMMRW C38H60N12O11S2 924.3946 NA PeJP NA NA +PJ083138 GGGAAPPMMH C38H60N12O11S2 924.3947 NA PeJP NA NA +PJ083139 TQEHHHH C38H52N16O12 924.3951 NA PeJP NA NA +PJ083140 QQMFWW C46H56N10O9S 924.3953 NA PeJP NA NA +PJ083141 SSSTQEMR C34H60N12O16S 924.3971 NA PeJP NA NA +PJ083142 GSSTTTWW C42H56N10O14 924.3978 NA PeJP NA NA +PJ083143 NDKMMMR C35H64N12O11S3 924.398 NA PeJP NA NA +PJ083144 GSSNMHHR C35H56N16O12S 924.3985 NA PeJP NA NA +PJ083145 ATCKMWW C43H60N10O9S2 924.3986 NA PeJP NA NA +PJ083146 GSKMMWW C43H60N10O9S2 924.3987 NA PeJP NA NA +PJ083147 GNQHHFW C43H52N14O10 924.3991 NA PeJP NA NA +PJ083148 SSSSLQMW C39H60N10O14S 924.4011 NA PeJP NA NA +PJ083149 GSSTKEMW C39H60N10O14S 924.4012 NA PeJP NA NA +PJ083150 LEEYWW C47H56N8O12 924.4018 NA PeJP NA NA +PJ083151 AQKMMMW C40H64N10O9S3 924.402 NA PeJP NA NA +PJ083152 SCQKHHW C40H56N14O10S 924.4025 NA PeJP NA NA +PJ083153 PNHWWW C48H52N12O8 924.4031 NA PeJP NA NA +PJ083154 GGPHWWW C48H52N12O8 924.4032 NA PeJP NA NA +PJ083155 ASSSSTKEE C35H60N10O19 924.4036 NA PeJP NA NA +PJ083156 GSSSTTKEE C35H60N10O19 924.4037 NA PeJP NA NA +PJ083157 GSDKKEMM C36H64N10O14S2 924.4045 NA PeJP NA NA +PJ083158 SNDDRRY C36H56N14O15 924.405 NA PeJP NA NA +PJ083159 SPLEMYW C44H60N8O12S 924.4052 NA PeJP NA NA +PJ083160 GPCKKMMM C37H68N10O9S4 924.4054 NA PeJP NA NA +PJ083161 SSCMRRW C37H60N14O10S2 924.4059 NA PeJP NA NA +PJ083162 SDHHHHR C37H52N18O11 924.4063 NA PeJP NA NA +PJ083163 CQFRWW C45H56N12O8S 924.4065 NA PeJP NA NA +PJ083164 VKEEEEY C40H60N8O17 924.4077 NA PeJP NA NA +PJ083165 SSSSDMRR C33H60N14O15S 924.4084 NA PeJP NA NA +PJ083166 SSPPLMMY C41H64N8O12S2 924.4085 NA PeJP NA NA +PJ083167 AAPLEMMY C41H64N8O12S2 924.4086 NA PeJP NA NA +PJ083168 GSQERYW C41H56N12O13 924.409 NA PeJP NA NA +PJ083169 GGGGGGGGGVFF C41H56N12O13 924.4091 NA PeJP NA NA +PJ083170 SNMMMRR C34H64N14O10S3 924.4092 NA PeJP NA NA +PJ083171 GGACCCKKR C34H64N14O10S3 924.4093 NA PeJP NA NA +PJ083172 ALMMHHW C42H60N12O8S2 924.4099 NA PeJP NA NA +PJ083173 ATHHHHW C42H52N16O9 924.4104 NA PeJP NA NA +PJ083174 TTTTLEEM C37H64N8O17S 924.411 NA PeJP NA NA +PJ083175 GTLLEMMM C38H68N8O12S3 924.4119 NA PeJP NA NA +PJ083176 GSSTTMRW C38H60N12O13S 924.4124 NA PeJP NA NA +PJ083177 NKEYWW C46H56N10O11 924.413 NA PeJP NA NA +PJ083178 GGPPPEWW C46H56N10O11 924.4131 NA PeJP NA NA +PJ083179 ACKMMRW C39H64N12O8S3 924.4133 NA PeJP NA NA +PJ083180 VQMHHHH C39H56N16O9S 924.4137 NA PeJP NA NA +PJ083181 GSSSTTTER C34H60N12O18 924.4149 NA PeJP NA NA +PJ083182 SSSLNMMR C35H64N12O13S2 924.4157 NA PeJP NA NA +PJ083183 GSSKEMMR C35H64N12O13S2 924.4158 NA PeJP NA NA +PJ083184 SSSSQHHR C35H56N16O14 924.4162 NA PeJP NA NA +PJ083185 GGGGGAQEHR C35H56N16O14 924.4163 NA PeJP NA NA +PJ083186 SSTKMWW C43H60N10O11S 924.4164 NA PeJP NA NA +PJ083187 GPPCCHRR C36H60N16O9S2 924.4171 NA PeJP NA NA +PJ083188 SSSTTKEW C39H60N10O16 924.4189 NA PeJP NA NA +PJ083189 SDKKMMW C40H64N10O11S2 924.4198 NA PeJP NA NA +PJ083190 SPNEHRW C40H56N14O12 924.4202 NA PeJP NA NA +PJ083191 GGSPEHRW C40H56N14O12 924.4203 NA PeJP NA NA +PJ083192 PPCLFYW C48H60N8O9S 924.4204 NA PeJP NA NA +PJ083193 TCCMRRR C33H64N16O9S3 924.4205 NA PeJP NA NA +PJ083194 SSSKKEEM C36H64N10O16S 924.4223 NA PeJP NA NA +PJ083195 SVLEEYW C44H60N8O14 924.4229 NA PeJP NA NA +PJ083196 QKKEMMM C37H68N10O11S3 924.4231 NA PeJP NA NA +PJ083197 GAKKEMMM C37H68N10O11S3 924.4232 NA PeJP NA NA +PJ083198 GNEMRRY C37H60N14O12S 924.4236 NA PeJP NA NA +PJ083199 GGGGGAPPPCR C37H60N14O12S 924.4237 NA PeJP NA NA +PJ083200 PVVMMYW C45H64N8O9S2 924.4238 NA PeJP NA NA +PJ083201 SQRYWW C45H56N12O10 924.4243 NA PeJP NA NA +PJ083202 AMHHHHR C38H56N18O8S 924.425 NA PeJP NA NA +PJ083203 LLQEEMY C41H64N8O14S 924.4263 NA PeJP NA NA +PJ083204 GSSTMMRR C34H64N14O12S2 924.427 NA PeJP NA NA +PJ083205 TLLMMMW C42H68N8O9S3 924.4272 NA PeJP NA NA +PJ083206 NNNDHRR C34H56N18O13 924.4275 NA PeJP NA NA +PJ083207 AAQMRYW C42H60N12O10S 924.4276 NA PeJP NA NA +PJ083208 GGGVMRYW C42H60N12O10S 924.4277 NA PeJP NA NA +PJ083209 GKYWWW C50H56N10O8 924.4283 NA PeJP NA NA +PJ083210 STTLLEMM C38H68N8O14S2 924.4297 NA PeJP NA NA +PJ083211 SSSTTTRW C38H60N12O15 924.4301 NA PeJP NA NA +PJ083212 GGSKEERY C38H60N12O15 924.4302 NA PeJP NA NA +PJ083213 GVLLMMMM C39H72N8O9S4 924.4306 NA PeJP NA NA +PJ083214 SSKMMRW C39H64N12O10S2 924.431 NA PeJP NA NA +PJ083215 GNQQHRW C39H56N16O11 924.4315 NA PeJP NA NA +PJ083216 QKMFWW C47H60N10O8S 924.4317 NA PeJP NA NA +PJ083217 SSSTKEMR C35H64N12O15S 924.4335 NA PeJP NA NA +PJ083218 GDKKEYW C43H60N10O13 924.4342 NA PeJP NA NA +PJ083219 TQKMMMR C36H68N12O10S3 924.4344 NA PeJP NA NA +PJ083220 GCDRRRY C36H60N16O11S 924.4349 NA PeJP NA NA +PJ083221 PPMMFFR C44H64N10O8S2 924.435 NA PeJP NA NA +PJ083222 GSPHRWW C44H56N14O9 924.4355 NA PeJP NA NA +PJ083223 SSSSLKMW C40H64N10O13S 924.4375 NA PeJP NA NA +PJ083224 AAAAAKEMY C40H64N10O13S 924.4376 NA PeJP NA NA +PJ083225 SPPLYYW C48H60N8O11 924.4382 NA PeJP NA NA +PJ083226 AKKMMMW C41H68N10O8S3 924.4384 NA PeJP NA NA +PJ083227 NMRRYW C41H60N14O9S 924.4389 NA PeJP NA NA +PJ083228 LHHFWW C49H56N12O7 924.4395 NA PeJP NA NA +PJ083229 SSSSSTLKE C36H64N10O18 924.44 NA PeJP NA NA +PJ083230 GTTKKEMM C37H68N10O13S2 924.4409 NA PeJP NA NA +PJ083231 SSQERRY C37H60N14O14 924.4414 NA PeJP NA NA +PJ083232 ALLEMYW C45H64N8O11S 924.4416 NA PeJP NA NA +PJ083233 LLMMMMR C38H72N10O8S4 924.4418 NA PeJP NA NA +PJ083234 VCNMFRR C38H64N14O9S2 924.4422 NA PeJP NA NA +PJ083235 PCCKRRY C38H64N14O9S2 924.4423 NA PeJP NA NA +PJ083236 TTHHHHR C38H56N18O10 924.4427 NA PeJP NA NA +PJ083237 CKFRWW C46H60N12O7S 924.4429 NA PeJP NA NA +PJ083238 GTTLLEEY C41H64N8O16 924.4441 NA PeJP NA NA +PJ083239 SSSTTMRR C34H64N14O14S 924.4447 NA PeJP NA NA +PJ083240 GPTLLMMY C42H68N8O11S2 924.4449 NA PeJP NA NA +PJ083241 GSKERYW C42H60N12O12 924.4454 NA PeJP NA NA +PJ083242 TCKMMRR C35H68N14O9S3 924.4456 NA PeJP NA NA +2685 NA GGTYSCHFGPLTFVCKPQGG 924.448 MH2+ Inhouse_peptide NA peptide +PJ083243 SSLLLMMM C39H72N8O11S3 924.4483 NA PeJP NA NA +PJ083244 AQKEMRY C39H64N12O12S 924.4488 NA PeJP NA NA +PJ083245 DKKYWW C47H60N10O10 924.4494 NA PeJP NA NA +PJ083246 APCHRRW C40H60N16O8S 924.4501 NA PeJP NA NA +PJ083247 SSSSSTTLR C35H64N12O17 924.4513 NA PeJP NA NA +MJ097837 Vindolicine C51H64N4O12 924.452073 NA MeJP NA NA +PJ083248 GTTTKMMR C36H68N12O12S2 924.4521 NA PeJP NA NA +PJ083249 GGSSCKKKM C36H68N12O12S2 924.4522 NA PeJP NA NA +PJ083250 AQEEHRR C36H60N16O13 924.4526 NA PeJP NA NA +PJ083251 GGGGGGGGGKKH C36H60N16O13 924.4527 NA PeJP NA NA +PJ083252 GLQKMYW C44H64N10O10S 924.4528 NA PeJP NA NA +PJ083253 GCMFRRR C37H64N16O8S2 924.4535 NA PeJP NA NA +PJ083254 STTTTTKW C40H64N10O15 924.4553 NA PeJP NA NA +PJ083255 TTKKMMW C41H68N10O10S2 924.4562 NA PeJP NA NA +PJ083256 GSTRRYW C41H60N14O11 924.4566 NA PeJP NA NA +PJ083257 GGALEHRW C41H60N14O11 924.4567 NA PeJP NA NA +PJ083258 PVVMFFW C49H64N8O8S 924.4568 NA PeJP NA NA +PJ083259 STTTKKEM C37H68N10O15S 924.4587 NA PeJP NA NA +PJ083260 TTLLEYW C45H64N8O13 924.4593 NA PeJP NA NA +PJ083261 KKKEMMM C38H72N10O10S3 924.4595 NA PeJP NA NA +PJ083262 GDKMRRY C38H64N14O11S 924.46 NA PeJP NA NA +PJ083263 VVLMMFW C46H68N8O8S2 924.4602 NA PeJP NA NA +PJ083264 SKRYWW C46H60N12O9 924.4607 NA PeJP NA NA +2945 NA FGGFTGARRPKLWDNQ 924.4609 MH2+ Inhouse_peptide NA peptide +PJ083265 LLKEEMY C42H68N8O13S 924.4627 NA PeJP NA NA +PJ083266 SNQQHRR C35H60N18O12 924.4638 NA PeJP NA NA +PJ083267 GDEHRRR C35H60N18O12 924.4639 NA PeJP NA NA +PJ083268 AAKMRYW C43H64N12O9S 924.464 NA PeJP NA NA +PJ083269 SDKKERY C39H64N12O14 924.4665 NA PeJP NA NA +PJ083270 GAAPPLDER C39H64N12O14 924.4666 NA PeJP NA NA +PJ083271 PCKKMRY C40H68N12O9S2 924.4674 NA PeJP NA NA +PJ083272 AAEHRRW C40H60N16O10 924.4679 NA PeJP NA NA +PJ083273 KKMFWW C48H64N10O7S 924.4681 NA PeJP NA NA +PJ083274 STTTTKMR C36H68N12O14S 924.4699 NA PeJP NA NA +PJ083275 ATKKEYW C44H64N10O12 924.4705 NA PeJP NA NA +PJ083276 GGTTLKYW C44H64N10O12 924.4706 NA PeJP NA NA +PJ083277 TKKMMMR C37H72N12O9S3 924.4708 NA PeJP NA NA +PJ083278 GSMRRRY C37H64N16O10S 924.4712 NA PeJP NA NA +PJ083279 GAPTMHRR C37H64N16O10S 924.4713 NA PeJP NA NA +MJ097838 12-Oleanene-3,16,21,22,23,28-hexol, 21-Tigloyl, 3-O-[?-arabino-2-hexulopyranosyl-(1?3)-?-D-glucopyranoside] C47H72O18 924.471865 NA MeJP NA NA +MJ097839 20,24-Epoxy-3,16-dihydroxycucurbita-5,23-diene-11,22-dione, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-xylopyranoside] C47H72O18 924.471865 NA MeJP NA NA +MJ097840 Cynajapogenin A; 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-cymaropyranoside] C47H72O18 924.471865 NA MeJP NA NA +MJ097841 Furostane-2,3,5,6,22,26-hexol, 22-Me ether, 3-benzoyl, 2,26-di-O-?-D-glucopyranoside C47H72O18 924.471865 NA MeJP NA NA +MJ097842 Pfaffic acid; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-(6-O-methylglucuronopyranoside)], 28-?-D-glucopyranosyl ester C47H72O18 924.471865 NA MeJP NA NA +PJ083280 LQHRWW C45H60N14O8 924.4719 NA PeJP NA NA +PJ083281 TLLEMRY C41H68N10O12S 924.4739 NA PeJP NA NA +PJ083282 APLLYYW C49H64N8O10 924.4746 NA PeJP NA NA +PJ083283 APKMHRW C42H64N14O8S 924.4753 NA PeJP NA NA +PJ083284 SSSTTTTLK C37H68N10O17 924.4764 NA PeJP NA NA +PJ083285 SSTLKKMM C38H72N10O12S2 924.4773 NA PeJP NA NA +PJ083286 TTTQRRY C38H64N14O13 924.4777 NA PeJP NA NA +PJ083287 SSKERRY C38H64N14O13 924.4778 NA PeJP NA NA +PJ083288 SLLLMYW C46H68N8O10S 924.4779 NA PeJP NA NA +PJ083289 AAPLLMFY C46H68N8O10S 924.478 NA PeJP NA NA +PJ083290 GKMMFRR C39H68N14O8S2 924.4786 NA PeJP NA NA +PJ083291 DHRRRW C39H60N18O9 924.4791 NA PeJP NA NA +PJ083292 SSTLLLEY C42H68N8O15 924.4804 NA PeJP NA NA +PJ083293 PPVLLEEE C42H68N8O15 924.4805 NA PeJP NA NA +PJ083294 AALLLMMY C43H72N8O10S2 924.4813 NA PeJP NA NA +PJ083295 ATTKRYW C43H64N12O11 924.4818 NA PeJP NA NA +PJ083296 PTCHRRR C36H64N18O9S 924.4825 NA PeJP NA NA +PJ083297 SLQKMRY C40H68N12O11S 924.4851 NA PeJP NA NA +PJ083298 AKKEMRY C40H68N12O11S 924.4852 NA PeJP NA NA +PJ083299 PPVLQWW C48H64N10O9 924.4858 NA PeJP NA NA +PJ083300 SSSSSSKKK C36H68N12O16 924.4877 NA PeJP NA NA +PJ083301 STCCKKKK C37H72N12O11S2 924.4885 NA PeJP NA NA +PJ083302 SSTRRRY C37H64N16O12 924.489 NA PeJP NA NA +PJ083303 GLKKMYW C45H68N10O9S 924.4892 NA PeJP NA NA +PJ083304 TKKKEEY C41H68N10O14 924.4917 NA PeJP NA NA +PJ083305 VLLMMRY C42H72N10O9S2 924.4926 NA PeJP NA NA +MJ097843 Perdeacylorizabin; 2A-(2-Methylpropanoyl) C44H76O20 924.492994 NA MeJP NA NA +PJ083306 PPVDRRW C42H64N14O10 924.493 NA PeJP NA NA +PJ083307 PLLKEYY C46H68N8O12 924.4957 NA PeJP NA NA +PJ083308 ATKMRRY C39H68N14O10S 924.4964 NA PeJP NA NA +PJ083309 APPLRWW C47H64N12O8 924.497 NA PeJP NA NA +PJ083310 GVLKHWW C47H64N12O8 924.4971 NA PeJP NA NA +PJ083311 ATTLLLMY C43H72N8O12S 924.4991 NA PeJP NA NA +PJ083312 ATEHRRR C36H64N18O11 924.5002 NA PeJP NA NA +PJ083313 GGGGTKHRR C36H64N18O11 924.5003 NA PeJP NA NA +PJ083314 PVKKMHW C44H68N12O8S 924.5004 NA PeJP NA NA +PJ083315 TTKKERY C40H68N12O13 924.5029 NA PeJP NA NA +PJ083316 GGGGGGGAPLLL C40H68N12O13 924.503 NA PeJP NA NA +PJ083317 CLKKMFR C41H72N12O8S2 924.5038 NA PeJP NA NA +PJ083318 GTLHRRW C41H64N16O9 924.5043 NA PeJP NA NA +PJ083319 STLKKYW C45H68N10O11 924.5069 NA PeJP NA NA +PJ083320 GPPVLKEW C45H68N10O11 924.507 NA PeJP NA NA +PJ083321 PTKMHRR C38H68N16O9S 924.5076 NA PeJP NA NA +MJ097844 12-Oleanene-3,22-diol, 22-Ketone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H76O17 924.508251 NA MeJP NA NA +MJ097845 27(13?18)-Abeo-3-hydroxy-14-taraxeren-28-oic acid, 3-Ketone, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O17 924.508251 NA MeJP NA NA +MJ097846 3-Hydroxy-11,13(18)-oleanadien-28-oic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O17 924.508251 NA MeJP NA NA +MJ097847 3-Hydroxy-12-oleanene-27,28-dioic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-?-L-fucopyranoside] C48H76O17 924.508251 NA MeJP NA NA +MJ097848 3-Hydroxy-9(11),12-oleanadien-28-oic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O17 924.508251 NA MeJP NA NA +MJ097849 Hederagenin 3-glycosides; Triglycosides, 3-O-[3-O-Acetyl-?-D-xylopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C48H76O17 924.508251 NA MeJP NA NA +MJ097850 Hederagenin 3-glycosides; Triglycosides, 3-O-[4-O-Acetyl-?-D-xylopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C48H76O17 924.508251 NA MeJP NA NA +PJ083322 LKHRWW C46H64N14O7 924.5083 NA PeJP NA NA +PJ083323 VKKKEMY C42H72N10O11S 924.5103 NA PeJP NA NA +PJ083324 ALLLFYW C50H68N8O9 924.511 NA PeJP NA NA +PJ083325 TTTKRRY C39H68N14O12 924.5141 NA PeJP NA NA +PJ083326 GPPTLERR C39H68N14O12 924.5142 NA PeJP NA NA +PJ083327 AALLLMFF C47H72N8O9S 924.5143 NA PeJP NA NA +PJ083328 GPHFRRR C40H64N18O8 924.5155 NA PeJP NA NA +PJ083329 TTTTLLLY C43H72N8O14 924.5168 NA PeJP NA NA +PJ083330 PPLKERW C44H68N12O10 924.5182 NA PeJP NA NA +PJ083331 GLMHRRR C37H68N18O8S 924.5189 NA PeJP NA NA +PJ083332 SLKKMRY C41H72N12O10S 924.5215 NA PeJP NA NA +PJ083333 GACKKKKY C41H72N12O10S 924.5216 NA PeJP NA NA +PJ083334 PPVLKWW C49H68N10O8 924.5222 NA PeJP NA NA +PJ083335 SLKEHRR C38H68N16O11 924.5254 NA PeJP NA NA +PJ083336 LLLLMHW C46H72N10O8S 924.5256 NA PeJP NA NA +PJ083337 SSSLLKKY C42H72N10O13 924.5281 NA PeJP NA NA +PJ083338 LKKKMMF C43H76N10O8S2 924.5289 NA PeJP NA NA +PJ083339 PPTLRRW C43H68N14O9 924.5294 NA PeJP NA NA +PJ083340 LLLLQYY C47H72N8O11 924.5321 NA PeJP NA NA +PJ083341 GPPVLMRR C40H72N14O9S 924.5328 NA PeJP NA NA +PJ083342 PPLLLLEM C44H76N8O11S 924.5355 NA PeJP NA NA +PJ083343 STLHRRR C37H68N18O10 924.5366 NA PeJP NA NA +PJ083344 GSSKKKKY C41H72N12O12 924.5393 NA PeJP NA NA +PJ083345 KFRRRY C42H68N16O8 924.5406 NA PeJP NA NA +PJ083346 PPPFRRR C42H68N16O8 924.5407 NA PeJP NA NA +PJ083347 APPTLLKW C46H72N10O10 924.5433 NA PeJP NA NA +PJ083348 PPLMRRR C39H72N16O8S 924.544 NA PeJP NA NA +PJ083349 SVLLLLMH C43H76N10O10S 924.5467 NA PeJP NA NA +PJ083350 GPQRRRR C36H68N20O9 924.5479 NA PeJP NA NA +PJ083351 AAPLLERR C40H72N14O11 924.5505 NA PeJP NA NA +PJ083352 AAPILERR C40H72N14O11 924.5506 NA PeJP NA NA +PJ083353 PVLLLLEE C44H76N8O13 924.5532 NA PeJP NA NA +PJ083354 PLLLQRW C45H72N12O9 924.5546 NA PeJP NA NA +PJ083355 CKKKKKY C42H76N12O9S 924.5579 NA PeJP NA NA +PJ083356 PVLERRR C39H72N16O10 924.5618 NA PeJP NA NA +PJ083357 PPTLLKKE C43H76N10O12 924.5645 NA PeJP NA NA +PJ083358 PVVLRRW C44H72N14O8 924.5658 NA PeJP NA NA +PJ083359 LLLLKYY C48H76N8O10 924.5685 NA PeJP NA NA +PJ083360 LLKKMHR C41H76N14O8S 924.5692 NA PeJP NA NA +PJ083361 PVNKRRR C38H72N18O9 924.573 NA PeJP NA NA +PJ083362 GPLLLKER C42H76N12O11 924.5757 NA PeJP NA NA +PJ083363 GPVLLLKW C47H76N10O9 924.5797 NA PeJP NA NA +PJ083364 PPVLLKKM C44H80N10O9S 924.5831 NA PeJP NA NA +PJ083365 GPKRRRR C37H72N20O8 924.5843 NA PeJP NA NA +PJ083366 GPTLLLRR C41H76N14O10 924.5869 NA PeJP NA NA +PJ083367 PLLLKRW C46H76N12O8 924.591 NA PeJP NA NA +PJ083368 PLQKKRR C40H76N16O9 924.5982 NA PeJP NA NA +PJ083369 PTLLLLQK C44H80N10O11 924.6008 NA PeJP NA NA +MJ097851 Antibiotic LI-F; Antibiotic LI-F08B C44H80N10O11 924.600803 NA MeJP NA NA +PJ083370 PVVLLKKE C44H80N10O11 924.6009 NA PeJP NA NA +PJ083371 PPLLLLLF C49H80N8O9 924.6049 NA PeJP NA NA +PJ083372 PLLLLLLM C46H84N8O9S 924.6082 NA PeJP NA NA +PJ083373 SPVLLLKR C43H80N12O10 924.6121 NA PeJP NA NA +PJ083374 AALLLLRR C42H80N14O9 924.6233 NA PeJP NA NA +PJ083375 VLLLLLLE C46H84N8O11 924.626 NA PeJP NA NA +PJ083376 PLKKKRR C41H80N16O8 924.6345 NA PeJP NA NA +PJ083377 VLLLRRR C41H80N16O8 924.6346 NA PeJP NA NA +PJ083378 PTLLLLKK C45H84N10O10 924.6372 NA PeJP NA NA +PJ083379 GLLLLLKR C44H84N12O9 924.6485 NA PeJP NA NA +PJ083380 VVLLLLKK C46H88N10O9 924.6736 NA PeJP NA NA +HMDB10510 TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C61H96O6 924.720703 NA HMDB2010 NA NA +HMDB10511 TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] C61H96O6 924.720703 NA HMDB2010 NA NA +HMDB10528 TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] C61H96O6 924.720703 NA HMDB2010 NA NA +HMDB10531 TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))[iso3] C61H96O6 924.720703 NA HMDB2010 NA NA +HMDB10533 TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3] C61H96O6 924.720703 NA HMDB2010 NA NA +PJ083381 GCCCCCCCE C28H47N9O12S7 925.139 NA PeJP NA NA +PJ083382 CCCCCCCW C32H47N9O9S7 925.1542 NA PeJP NA NA +PJ083383 SSCCCCCCD C28H47N9O14S6 925.1567 NA PeJP NA NA +HMDB12155 3-Hydroxypimelyl-CoA C28H46N7O20P3S 925.173096 NA HMDB2010 NA NA +C06714 3-Hydroxypimeloyl-CoA C28H46N7O20P3S 925.1731 NA KEGG NA NA +MetaCyc04321 3-hydroxypimelyl-CoA [3-hydroxypimeloyl-CoA;] C28H46N7O20P3S1 925.173117 NA metacyc NA NA +PJ083384 GTCCCCCCM C29H51N9O11S7 925.1753 NA PeJP NA NA +PJ083385 CCCCCNDY C32H47N9O13S5 925.1897 NA PeJP NA NA +PJ083386 SSSCCCCCM C29H51N9O13S6 925.1931 NA PeJP NA NA +PJ083387 CCCCCNMF C33H51N9O10S6 925.2084 NA PeJP NA NA +PJ083388 CCCCNDEH C31H47N11O14S4 925.2187 NA PeJP NA NA +PJ083389 CNDDDDDD C31H43N9O22S 925.2244 NA PeJP NA NA +PJ083390 SCCCCNMY C33H51N9O12S5 925.2261 NA PeJP NA NA +PJ083391 GCCCCDHW C35H47N11O11S4 925.234 NA PeJP NA NA +PJ083392 GSSCCCDDH C31H47N11O16S3 925.2365 NA PeJP NA NA +PJ083393 ASPCCCCCH C32H51N11O11S5 925.2373 NA PeJP NA NA +PJ083394 GPTCCCCCH C32H51N11O11S5 925.2374 NA PeJP NA NA +PJ083395 GSPCCDDDD C32H47N9O19S2 925.243 NA PeJP NA NA +PJ083396 GSSTCCCCY C33H51N9O14S4 925.2439 NA PeJP NA NA +PJ083397 CCNNNDDE C31H47N11O18S2 925.2542 NA PeJP NA NA +PJ083398 GGGGCCNDDE C31H47N11O18S2 925.2543 NA PeJP NA NA +PJ083399 SCCCNEMH C32H51N11O13S4 925.2551 NA PeJP NA NA +PJ083400 PPCCCCDW C37H51N9O11S4 925.2591 NA PeJP NA NA +PJ083401 SNDDDDDM C32H47N9O21S 925.2608 NA PeJP NA NA +PJ083402 SSSSSCCCY C33H51N9O16S3 925.2616 NA PeJP NA NA +PJ083403 TCCCCCKY C34H55N9O11S5 925.2625 NA PeJP NA NA +PJ083404 CCDEMYY C38H51N7O14S3 925.2656 NA PeJP NA NA +PJ083405 SCCCCDHR C31H51N13O12S4 925.2663 NA PeJP NA NA +PJ083406 GCCNNDDW C35H47N11O15S2 925.2695 NA PeJP NA NA +PJ083407 GSCCCMHW C36H51N11O10S4 925.2704 NA PeJP NA NA +PJ083408 GSSCNNDDD C31H47N11O20S 925.272 NA PeJP NA NA +PJ083409 PCCCDDDR C32H51N11O15S3 925.2729 NA PeJP NA NA +PJ083410 GCCNMMMH C33H55N11O10S5 925.2737 NA PeJP NA NA +PJ083411 GSCDDDEW C36H47N9O18S 925.276 NA PeJP NA NA +PJ083412 GPCCDDMW C37H51N9O13S3 925.2769 NA PeJP NA NA +PJ083413 GSSSDDDDE C32H47N9O23 925.2785 NA PeJP NA NA +PJ083414 GNDDDEMM C33H51N9O18S2 925.2794 NA PeJP NA NA +PJ083415 GSPPCCCEM C34H55N9O13S4 925.2803 NA PeJP NA NA +PJ083416 CCNNNNNM C31H51N13O14S3 925.2841 NA PeJP NA NA +PJ083417 CCEMMFY C39H55N7O11S4 925.2843 NA PeJP NA NA +PJ083418 ACCCCMHR C32H55N13O9S5 925.285 NA PeJP NA NA +PJ083419 SSTCCCHW C36H51N11O12S3 925.2881 NA PeJP NA NA +PJ083420 GCDDDDMR C32H51N11O17S2 925.2906 NA PeJP NA NA +PJ083421 SCDDDWW C40H47N9O15S 925.2913 NA PeJP NA NA +PJ083422 SSCCQMMH C33H55N11O12S4 925.2915 NA PeJP NA NA +PJ083423 PCCCEWW C41H51N9O10S3 925.2921 NA PeJP NA NA +PJ083424 SSSDDDDW C36H47N9O20 925.2938 NA PeJP NA NA +PJ083425 NDDDMMW C37H51N9O15S2 925.2946 NA PeJP NA NA +PJ083426 GGDDDMMW C37H51N9O15S2 925.2947 NA PeJP NA NA +PJ083427 SPPCCCMW C38H55N9O10S4 925.2955 NA PeJP NA NA +PJ083428 SSNDDEEM C33H51N9O20S 925.2971 NA PeJP NA NA +PJ083429 GGSSDDEEM C33H51N9O20S 925.2972 NA PeJP NA NA +PJ083430 SPCNDEMM C34H55N9O15S3 925.298 NA PeJP NA NA +PJ083431 GCNDDEHH C34H47N13O16S 925.2985 NA PeJP NA NA +PJ083432 PCCDYYY C42H51N7O13S2 925.2987 NA PeJP NA NA +PJ083433 DMMMMMH C35H59N9O10S5 925.2989 NA PeJP NA NA +MJ097852 Perdeacylwilfortrine; 26-Benzoyl, 1,2,6,8,9,14-hexa-Ac C45H51NO20 925.300443 NA MeJP NA NA +PJ083434 GSSCCNNNQ C31H51N13O16S2 925.3018 NA PeJP NA NA +PJ083435 SCCNNDDR C31H51N13O16S2 925.3019 NA PeJP NA NA +PJ083436 SCEMMYY C39H55N7O13S3 925.302 NA PeJP NA NA +PJ083437 SSCCCMHR C32H55N13O11S4 925.3027 NA PeJP NA NA +PJ083438 CCCQHFW C40H51N11O9S3 925.3034 NA PeJP NA NA +PJ083439 EEEEEMM C35H55N7O18S2 925.3045 NA PeJP NA NA +PJ083440 GNNNDDDY C35H47N11O19 925.305 NA PeJP NA NA +PJ083441 CCDDERW C36H51N11O14S2 925.3059 NA PeJP NA NA +PJ083442 SSCDDDER C32H51N11O19S 925.3084 NA PeJP NA NA +PJ083443 NDDDDFW C40H47N9O17 925.309 NA PeJP NA NA +PJ083444 PTCCCDER C33H55N11O14S3 925.3092 NA PeJP NA NA +PJ083445 SPCCDDMR C33H55N11O14S3 925.3093 NA PeJP NA NA +PJ083446 GCDEMWW C41H51N9O12S2 925.3099 NA PeJP NA NA +PJ083447 ACCCKMMH C34H59N11O9S5 925.3101 NA PeJP NA NA +PJ083448 GSSDDEMW C37H51N9O17S 925.3124 NA PeJP NA NA +PJ083449 GSPCDMMW C38H55N9O12S3 925.3133 NA PeJP NA NA +PJ083450 CNDDHHW C38H47N13O13S 925.3137 NA PeJP NA NA +PJ083451 GGCDDHHW C38H47N13O13S 925.3138 NA PeJP NA NA +PJ083452 GSSSSDEEE C33H51N9O22 925.3149 NA PeJP NA NA +PJ083453 GSNEEEMM C34H55N9O17S2 925.3158 NA PeJP NA NA +PJ083454 SSNDDDHH C34H47N13O18 925.3162 NA PeJP NA NA +PJ083455 GGSSDDDHH C34H47N13O18 925.3163 NA PeJP NA NA +PJ083456 GDDMYYY C42H51N7O15S 925.3164 NA PeJP NA NA +PJ083457 GPNDMMMM C35H59N9O12S4 925.3166 NA PeJP NA NA +PJ083458 GGGPDMMMM C35H59N9O12S4 925.3167 NA PeJP NA NA +PJ083459 SPCCNEHH C35H51N13O13S2 925.3171 NA PeJP NA NA +PJ083460 PCCMFYY C43H55N7O10S3 925.3173 NA PeJP NA NA +PJ083461 CMMMHHH C36H55N13O8S4 925.318 NA PeJP NA NA +PJ083462 DEEEEEF C38H51N7O20 925.3189 NA PeJP NA NA +PJ083463 SSSSCNNNN C31H51N13O18S 925.3196 NA PeJP NA NA +PJ083464 GCCNNEMR C32H55N13O13S3 925.3205 NA PeJP NA NA +PJ083465 GMMMMYY C40H59N7O10S4 925.3207 NA PeJP NA NA +PJ083466 SCCNQWW C40H51N11O11S2 925.3211 NA PeJP NA NA +PJ083467 SSSCNNEW C36H51N11O16S 925.3236 NA PeJP NA NA +PJ083468 GGGGGGSPCDY C36H51N11O16S 925.3237 NA PeJP NA NA +PJ083469 CNNQMMW C37H55N11O11S3 925.3245 NA PeJP NA NA +PJ083470 CDMWWW C45H51N9O9S2 925.3252 NA PeJP NA NA +PJ083471 SSSSSNNDE C32H51N11O21 925.3261 NA PeJP NA NA +PJ083472 GSDDDMMR C33H55N11O16S2 925.327 NA PeJP NA NA +PJ083473 SCNNYYY C41H51N9O14S 925.3276 NA PeJP NA NA +PJ083474 SSDDMWW C41H51N9O14S 925.3277 NA PeJP NA NA +PJ083475 GPCCEMMR C34H59N11O11S4 925.3279 NA PeJP NA NA +PJ083476 GCNNNMHH C34H51N15O12S2 925.3283 NA PeJP NA NA +PJ083477 GGGCNNMHH C34H51N15O12S2 925.3284 NA PeJP NA NA +PJ083478 PTCCMWW C42H55N9O9S3 925.3285 NA PeJP NA NA +PJ083479 SSPNDDEY C37H51N9O19 925.3301 NA PeJP NA NA +PJ083480 SSSSDEEW C37H51N9O19 925.3302 NA PeJP NA NA +PJ083481 SNEEMMW C38H55N9O14S2 925.331 NA PeJP NA NA +PJ083482 CEYYYW C46H51N7O12S 925.3317 NA PeJP NA NA +PJ083483 PCQMMMW C39H59N9O9S4 925.3319 NA PeJP NA NA +PJ083484 GSPCCHHW C39H51N13O10S2 925.3324 NA PeJP NA NA +PJ083485 SSSQEEEM C34H55N9O19S 925.3335 NA PeJP NA NA +PJ083486 SSDEYYY C42H51N7O17 925.3342 NA PeJP NA NA +PJ083487 QQEEMMM C35H59N9O14S3 925.3344 NA PeJP NA NA +PJ083488 GCNNNNQY C35H51N13O15S 925.3349 NA PeJP NA NA +PJ083489 SPCMYYY C43H55N7O12S2 925.335 NA PeJP NA NA +PJ083490 CCNNMRW C36H55N13O10S3 925.3357 NA PeJP NA NA +PJ083491 GGGGCCMRW C36H55N13O10S3 925.3358 NA PeJP NA NA +PJ083492 PEEEEMY C39H55N7O17S 925.3376 NA PeJP NA NA +PJ083493 SSCNNDMR C32H55N13O15S2 925.3382 NA PeJP NA NA +PJ083494 GGGGSSCDMR C32H55N13O15S2 925.3383 NA PeJP NA NA +PJ083495 STMMMYY C40H59N7O12S3 925.3384 NA PeJP NA NA +PJ083496 GSSSCNWW C40H51N11O13S 925.3389 NA PeJP NA NA +PJ083497 PCCCCNKR C33H59N13O10S4 925.3391 NA PeJP NA NA +PJ083498 CCCKHFW C41H55N11O8S3 925.3398 NA PeJP NA NA +PJ083499 GSSSSSNDW C36H51N11O18 925.3414 NA PeJP NA NA +PJ083500 SCDEMRW C37H55N11O13S2 925.3423 NA PeJP NA NA +PJ083501 DDEHHHH C37H47N15O14 925.3427 NA PeJP NA NA +PJ083502 GPCDYWW C45H51N9O11S 925.3429 NA PeJP NA NA +PJ083503 PCCMMRW C38H59N11O8S4 925.3431 NA PeJP NA NA +PJ083504 GSSTTCNQE C33H55N11O18S 925.3447 NA PeJP NA NA +PJ083505 SSSDDEMR C33H55N11O18S 925.3448 NA PeJP NA NA +PJ083506 GNEEEYW C41H51N9O16 925.3454 NA PeJP NA NA +PJ083507 NDEMMMR C34H59N11O13S3 925.3456 NA PeJP NA NA +PJ083508 GGGGGGATMMM C34H59N11O13S3 925.3457 NA PeJP NA NA +PJ083509 GSCDDHHR C34H51N15O14S 925.3461 NA PeJP NA NA +PJ083510 GSEMMWW C42H55N9O11S2 925.3463 NA PeJP NA NA +PJ083511 APCCCHHR C35H55N15O9S3 925.347 NA PeJP NA NA +PJ083512 GSSTEEMW C38H55N9O16S 925.3488 NA PeJP NA NA +PJ083513 GDDFFYY C46H51N7O14 925.3494 NA PeJP NA NA +PJ083514 AQEMMMW C39H59N9O11S3 925.3496 NA PeJP NA NA +PJ083515 GAAEMMMW C39H59N9O11S3 925.3497 NA PeJP NA NA +PJ083516 SNDMHHW C39H51N13O12S 925.3501 NA PeJP NA NA +PJ083517 PCCFFFY C47H55N7O9S2 925.3503 NA PeJP NA NA +PJ083518 GSSSTTEEE C34H55N9O21 925.3513 NA PeJP NA NA +PJ083519 SSSPTCCLE C35H59N9O16S2 925.3521 NA PeJP NA NA +PJ083520 GSDKEEMM C35H59N9O16S2 925.3522 NA PeJP NA NA +PJ083521 SSNNNNNY C35H51N13O17 925.3526 NA PeJP NA NA +PJ083522 GGGGGGGGGGSSY C35H51N13O17 925.3527 NA PeJP NA NA +PJ083523 GTEMYYY C43H55N7O14S 925.3528 NA PeJP NA NA +PJ083524 GPTQMMMM C36H63N9O11S4 925.353 NA PeJP NA NA +PJ083525 GSSCCQRW C36H55N13O12S2 925.3535 NA PeJP NA NA +PJ083526 GMMMFFY C44H59N7O9S3 925.3537 NA PeJP NA NA +PJ083527 GCNNFWW C44H51N11O10S 925.3541 NA PeJP NA NA +PJ083528 GGGCNFWW C44H51N11O10S 925.3542 NA PeJP NA NA +PJ083529 VEEEEEY C39H55N7O19 925.3553 NA PeJP NA NA +PJ083530 GSSSSCNER C32H55N13O17S 925.356 NA PeJP NA NA +PJ083531 SNNNEYW C40H51N11O15 925.3566 NA PeJP NA NA +PJ083532 GDDDRYW C40H51N11O15 925.3567 NA PeJP NA NA +PJ083533 CDDMMRR C33H59N13O12S3 925.3569 NA PeJP NA NA +PJ083534 SCCNKWW C41H55N11O10S2 925.3575 NA PeJP NA NA +PJ083535 SSSSNQMW C37H55N11O15S 925.36 NA PeJP NA NA +PJ083536 NEEYWW C45H51N9O13 925.3607 NA PeJP NA NA +PJ083537 GDMMMRW C38H59N11O10S3 925.3609 NA PeJP NA NA +PJ083538 SMMWWW C46H55N9O8S2 925.3615 NA PeJP NA NA +PJ083539 SSSSSSQQE C33H55N11O20 925.3625 NA PeJP NA NA +PJ083540 GSSEEMMR C34H59N11O15S2 925.3634 NA PeJP NA NA +PJ083541 GSSSSNNHH C34H51N15O16 925.3639 NA PeJP NA NA +PJ083542 SSTEMWW C42H55N9O13S 925.364 NA PeJP NA NA +PJ083543 GGAEEMFW C42H55N9O13S 925.3641 NA PeJP NA NA +PJ083544 GPTCMMMR C35H63N11O10S4 925.3643 NA PeJP NA NA +PJ083545 CNEMHHR C35H55N15O11S2 925.3647 NA PeJP NA NA +PJ083546 GGGGACCKHH C35H55N15O11S2 925.3648 NA PeJP NA NA +PJ083547 AAMMMWW C43H59N9O8S3 925.3649 NA PeJP NA NA +PJ083548 GTCHHWW C43H51N13O9S 925.3654 NA PeJP NA NA +MJ097853 Pepticinnamin; Pepticinnamin A C49H56ClN5O11 925.366485 NA MeJP NA NA +MJ097854 Pepticinnamin; Pepticinnamin B C49H56ClN5O11 925.366485 NA MeJP NA NA +PJ083549 SSSTTEEW C38H55N9O18 925.3665 NA PeJP NA NA +PJ083550 GGDKEEEY C38H55N9O18 925.3666 NA PeJP NA NA +PJ083551 SDKEMMW C39H59N9O13S2 925.3674 NA PeJP NA NA +PJ083552 GSSSEHHW C39H51N13O14 925.3679 NA PeJP NA NA +PJ083553 TMYYYW C47H55N7O11S 925.368 NA PeJP NA NA +PJ083554 APCFYYY C47H55N7O11S 925.3681 NA PeJP NA NA +PJ083555 PCKMMMW C40H63N9O8S4 925.3683 NA PeJP NA NA +PJ083556 VCNMHHW C40H55N13O9S2 925.3687 NA PeJP NA NA +PJ083557 GQMMHHW C40H55N13O9S2 925.3688 NA PeJP NA NA +PJ083558 SSSKEEEM C35H59N9O18S 925.3699 NA PeJP NA NA +PJ083559 STTEYYY C43H55N7O16 925.3705 NA PeJP NA NA +PJ083560 PPEEEYY C43H55N7O16 925.3706 NA PeJP NA NA +PJ083561 QKEEMMM C36H63N9O13S3 925.3708 NA PeJP NA NA +PJ083562 SSSSCNRW C36H55N13O14S 925.3712 NA PeJP NA NA +PJ083563 GGSSSSCRW C36H55N13O14S 925.3713 NA PeJP NA NA +PJ083564 GVMMYYY C44H59N7O11S2 925.3714 NA PeJP NA NA +PJ083565 GSNNYWW C44H51N11O12 925.3719 NA PeJP NA NA +PJ083566 CCCQKRW C37H59N13O9S3 925.3721 NA PeJP NA NA +PJ083567 NNMHHHH C37H51N17O10S 925.3726 NA PeJP NA NA +MJ097855 Altromycin A; N3'-Me C47H59NO18 925.373214 NA MeJP NA NA +PJ083568 SSSSSSNDR C32H55N13O19 925.3737 NA PeJP NA NA +PJ083569 GGSSSSSSDR C32H55N13O19 925.3738 NA PeJP NA NA +PJ083570 LEEEEMF C40H59N7O16S 925.3739 NA PeJP NA NA +PJ083571 SSSNNMMR C33H59N13O14S2 925.3746 NA PeJP NA NA +PJ083572 SPCDRYW C41H55N11O12S 925.3753 NA PeJP NA NA +PJ083573 GEYWWW C49H51N9O10 925.3759 NA PeJP NA NA +PJ083574 CCDHHRR C34H55N17O10S2 925.376 NA PeJP NA NA +PJ083575 GSSSSSTQW C37H55N11O17 925.3778 NA PeJP NA NA +PJ083576 SSEMMRW C38H59N11O12S2 925.3786 NA PeJP NA NA +PJ083577 GGGSTCKMW C38H59N11O12S2 925.3787 NA PeJP NA NA +PJ083578 NNNNQHW C38H51N15O13 925.3791 NA PeJP NA NA +PJ083579 GGGGGGGGGAHW C38H51N15O13 925.3792 NA PeJP NA NA +PJ083580 GSPMYWW C46H55N9O10S 925.3793 NA PeJP NA NA +PJ083581 GCMHHRW C39H55N15O8S2 925.38 NA PeJP NA NA +PJ083582 SSSTEEMR C34H59N11O17S 925.3811 NA PeJP NA NA +PJ083583 GGGSSSSKEM C34H59N11O17S 925.3812 NA PeJP NA NA +PJ083584 GDKEEYW C42H55N9O15 925.3818 NA PeJP NA NA +PJ083585 TQEMMMR C35H63N11O12S3 925.382 NA PeJP NA NA +PJ083586 GSSDMHHR C35H55N15O13S 925.3825 NA PeJP NA NA +PJ083587 ATTMMWW C43H59N9O10S2 925.3827 NA PeJP NA NA +PJ083588 SSSHHWW C43H51N13O11 925.3831 NA PeJP NA NA +PJ083589 GGGEHHFW C43H51N13O11 925.3832 NA PeJP NA NA +PJ083590 SSSSLEMW C39H59N9O15S 925.3852 NA PeJP NA NA +PJ083591 GPTYYYY C47H55N7O13 925.3858 NA PeJP NA NA +PJ083592 GGSSTCCRR C32H59N15O13S2 925.3859 NA PeJP NA NA +PJ083593 AKEMMMW C40H63N9O10S3 925.386 NA PeJP NA NA +PJ083594 GGGPVMMMF C40H63N9O10S3 925.3861 NA PeJP NA NA +PJ083595 GCNQRYW C40H55N13O11S 925.3865 NA PeJP NA NA +PJ083596 GMMFFFF C48H59N7O8S2 925.3867 NA PeJP NA NA +PJ083597 PDHWWW C48H51N11O9 925.3872 NA PeJP NA NA +PJ083598 SSSSSTLEE C35H59N9O20 925.3877 NA PeJP NA NA +PJ083599 GTTKEEMM C36H63N9O15S2 925.3885 NA PeJP NA NA +PJ083600 SDDDRRY C36H55N13O16 925.389 NA PeJP NA NA +PJ083601 GGGGGGGGGAPPE C36H55N13O16 925.3891 NA PeJP NA NA +PJ083602 SSLMYYY C44H59N7O13S 925.3892 NA PeJP NA NA +PJ083603 GPTKMMMM C37H67N9O10S4 925.3894 NA PeJP NA NA +PJ083604 GSSCCKRW C37H59N13O11S2 925.3899 NA PeJP NA NA +PJ083605 GSSQHHHH C37H51N17O12 925.3904 NA PeJP NA NA +PJ083606 CEFRWW C45H55N11O9S 925.3905 NA PeJP NA NA +PJ083607 YWWWW C53H51N9O7 925.3912 NA PeJP NA NA +PJ083608 GSSSSSQMR C33H59N13O16S 925.3924 NA PeJP NA NA +PJ083609 GSEERYW C41H55N11O14 925.393 NA PeJP NA NA +PJ083610 GGGGSPPPDW C41H55N11O14 925.3931 NA PeJP NA NA +PJ083611 SDMMMRR C34H63N13O11S3 925.3932 NA PeJP NA NA +PJ083612 GSCNKMMR C34H63N13O11S3 925.3933 NA PeJP NA NA +PJ083613 APCMRYW C42H59N11O9S2 925.3939 NA PeJP NA NA +PJ083614 PDHHHHF C42H51N15O10 925.3944 NA PeJP NA NA +PJ083615 AMFWWW C50H55N9O7S 925.3946 NA PeJP NA NA +PJ083616 SSSSNKMW C38H59N11O14S 925.3964 NA PeJP NA NA +PJ083617 SSPTYWW C46H55N9O12 925.397 NA PeJP NA NA +PJ083618 DKEYWW C46H55N9O12 925.3971 NA PeJP NA NA +PJ083619 ATMMMRW C39H63N11O9S3 925.3973 NA PeJP NA NA +PJ083620 STCHHRW C39H55N15O10S 925.3977 NA PeJP NA NA +PJ083621 GGPCNHRW C39H55N15O10S 925.3978 NA PeJP NA NA +PJ083622 NHHFWW C47H51N13O8 925.3984 NA PeJP NA NA +PJ083623 SSSSSSQKE C34H59N11O19 925.3989 NA PeJP NA NA +PJ083624 GTTTEMMR C35H63N11O14S2 925.3998 NA PeJP NA NA +PJ083625 SSSSEHHR C35H55N15O15 925.4002 NA PeJP NA NA +PJ083626 GGNQEEHR C35H55N15O15 925.4003 NA PeJP NA NA +PJ083627 TTTTMWW C43H59N9O12S 925.4004 NA PeJP NA NA +PJ083628 VQMMMMR C36H67N11O9S4 925.4006 NA PeJP NA NA +PJ083629 GGLMMMMR C36H67N11O9S4 925.4007 NA PeJP NA NA +PJ083630 TFFYYW C51H55N7O10 925.4011 NA PeJP NA NA +PJ083631 AMHHHFF C44H55N13O8S 925.4018 NA PeJP NA NA +PJ083632 STTTTTEW C39H59N9O17 925.4029 NA PeJP NA NA +PJ083633 GSSSSSCRR C32H59N15O15S 925.4036 NA PeJP NA NA +PJ083634 TTKEMMW C40H63N9O12S2 925.4038 NA PeJP NA NA +PJ083635 SSNNRYW C40H55N13O13 925.4043 NA PeJP NA NA +PJ083636 GVMFFYY C48H59N7O10S 925.4044 NA PeJP NA NA +PJ083637 GTCCCKRR C33H63N15O10S3 925.4045 NA PeJP NA NA +PJ083638 PPCMHRW C41H59N13O8S2 925.4051 NA PeJP NA NA +PJ083639 STTTKEEM C36H63N9O17S 925.4063 NA PeJP NA NA +PJ083640 PLEEEFY C44H59N7O15 925.407 NA PeJP NA NA +PJ083641 KKEEMMM C37H67N9O12S3 925.4072 NA PeJP NA NA +PJ083642 GDEMRRY C37H59N13O13S 925.4076 NA PeJP NA NA +PJ083643 GGGGGATMRY C37H59N13O13S 925.4077 NA PeJP NA NA +PJ083644 SERYWW C45H55N11O11 925.4083 NA PeJP NA NA +PJ083645 CCCKKRW C38H63N13O8S3 925.4085 NA PeJP NA NA +PJ083646 CQKHHHH C38H55N17O9S 925.409 NA PeJP NA NA +PJ083647 SSSSSSTQR C33H59N13O18 925.4101 NA PeJP NA NA +PJ083648 LLEEEMY C41H63N7O15S 925.4103 NA PeJP NA NA +PJ083649 SSSCQKMR C34H63N13O13S2 925.411 NA PeJP NA NA +PJ083650 NNDDHRR C34H55N17O14 925.4115 NA PeJP NA NA +PJ083651 SSPMRYW C42H59N11O11S 925.4116 NA PeJP NA NA +PJ083652 AAEMRYW C42H59N11O11S 925.4117 NA PeJP NA NA +PJ083653 AMMMMRR C35H67N13O8S4 925.4119 NA PeJP NA NA +PJ083654 SVYWWW C50H55N9O9 925.4123 NA PeJP NA NA +PJ083655 ASSSSSSKW C38H59N11O16 925.4141 NA PeJP NA NA +PJ083656 GSSSSSTKW C38H59N11O16 925.4142 NA PeJP NA NA +PJ083657 TTTMMRW C39H63N11O11S2 925.415 NA PeJP NA NA +PJ083658 GGGGAAKMMF C39H63N11O11S2 925.4151 NA PeJP NA NA +PJ083659 GNQEHRW C39H55N15O12 925.4155 NA PeJP NA NA +PJ083660 LQMYWW C47H59N9O9S 925.4157 NA PeJP NA NA +MJ097856 Liposidomycin; Liposidomycin Y-I, Desulfo C42H63N5O18 925.41681 NA MeJP NA NA +PJ083661 STTTTEMR C35H63N11O16S 925.4175 NA PeJP NA NA +PJ083662 ATKEEYW C43H59N9O14 925.4182 NA PeJP NA NA +PJ083663 TKEMMMR C36H67N11O11S3 925.4184 NA PeJP NA NA +PJ083664 SCNQRRY C36H59N15O12S 925.4189 NA PeJP NA NA +PJ083665 ALQMMFW C44H63N9O9S2 925.419 NA PeJP NA NA +PJ083666 APKMMYW C44H63N9O9S2 925.4191 NA PeJP NA NA +PJ083667 AAQQHWW C44H55N13O10 925.4195 NA PeJP NA NA +C15743 Cyanopeptolin S C40H63N9O14S 925.4215 NA KEGG NA NA +PJ083668 SSTTTLMW C40H63N9O14S 925.4215 NA PeJP NA NA +MJ097857 Cyanopeptolin S C40H63N9O14S 925.421518 NA MeJP NA NA +PJ083669 VQKEEMY C40H63N9O14S 925.4216 NA PeJP NA NA +PJ083670 AALYYYY C48H59N7O12 925.4222 NA PeJP NA NA +PJ083671 SLKMMMW C41H67N9O9S3 925.4224 NA PeJP NA NA +PJ083672 DMRRYW C41H59N13O10S 925.4229 NA PeJP NA NA +PJ083673 GPPHFWW C49H55N11O8 925.4236 NA PeJP NA NA +PJ083674 SSSTTTTLE C36H63N9O19 925.424 NA PeJP NA NA +PJ083675 SSTLKEMM C37H67N9O14S2 925.4249 NA PeJP NA NA +PJ083676 SSEERRY C37H59N13O15 925.4254 NA PeJP NA NA +PJ083677 AALKMMMM C38H71N9O9S4 925.4258 NA PeJP NA NA +PJ083678 PTCMRRY C38H63N13O10S2 925.4263 NA PeJP NA NA +PJ083679 PNEHHHR C38H55N17O11 925.4267 NA PeJP NA NA +PJ083680 GGPEHHHR C38H55N17O11 925.4268 NA PeJP NA NA +PJ083681 CLRYWW C46H59N11O8S 925.4269 NA PeJP NA NA +PJ083682 GSSSSSKMR C34H63N13O15S 925.4288 NA PeJP NA NA +PJ083683 ATTERYW C42H59N11O13 925.4294 NA PeJP NA NA +PJ083684 TTMMMRR C35H67N13O10S3 925.4296 NA PeJP NA NA +PJ083685 GSPCNHRR C35H59N17O11S 925.4301 NA PeJP NA NA +PJ083686 GVMMFRW C43H63N11O8S2 925.4303 NA PeJP NA NA +PJ083687 NQHRWW C43H55N15O9 925.4308 NA PeJP NA NA +PJ083688 SSSTCKKW C39H63N11O13S 925.4328 NA PeJP NA NA +PJ083689 GTTLYWW C47H59N9O11 925.4334 NA PeJP NA NA +PJ083690 GGALEFFW C47H59N9O11 925.4335 NA PeJP NA NA +PJ083691 CCKKKMW C40H67N11O8S3 925.4337 NA PeJP NA NA +PJ083692 AQMHHFR C40H59N15O9S 925.4341 NA PeJP NA NA +PJ083693 SSSSSSKKE C35H63N11O18 925.4353 NA PeJP NA NA +PJ083694 SSTTLMMR C36H67N11O13S2 925.4362 NA PeJP NA NA +PJ083695 GSSSNRRY C36H59N15O14 925.4366 NA PeJP NA NA +PJ083696 GGGPPDDRR C36H59N15O14 925.4367 NA PeJP NA NA +PJ083697 GLKEMYW C44H63N9O11S 925.4368 NA PeJP NA NA +PJ083698 VKMMMMR C37H71N11O8S4 925.437 NA PeJP NA NA +PJ083699 GVFFFFY C52H59N7O9 925.4375 NA PeJP NA NA +PJ083700 TKKEEEY C40H63N9O16 925.4393 NA PeJP NA NA +PJ083701 PKKEMMY C41H67N9O11S2 925.4402 NA PeJP NA NA +PJ083702 PTTEHRW C41H59N13O12 925.4406 NA PeJP NA NA +PJ083703 GLEEHRW C41H59N13O12 925.4407 NA PeJP NA NA +PJ083704 MMFRRW C42H63N13O7S2 925.4415 NA PeJP NA NA +PJ083705 GPHHHRW C42H55N17O8 925.442 NA PeJP NA NA +PJ083706 SSSSTTLLM C37H67N9O16S 925.4427 NA PeJP NA NA +PJ083707 PLLEEYY C45H63N7O14 925.4433 NA PeJP NA NA +PJ083708 ATTLKMMM C38H71N9O11S3 925.4436 NA PeJP NA NA +PJ083709 ATEMRRY C38H63N13O12S 925.444 NA PeJP NA NA +PJ083710 GGGGGGALLMH C38H63N13O12S 925.4441 NA PeJP NA NA +PJ083711 GVLEHWW C46H59N11O10 925.4447 NA PeJP NA NA +PJ083712 ACHHFRR C39H59N17O8S 925.4454 NA PeJP NA NA +PJ083713 SSSSSSTKR C34H63N13O17 925.4465 NA PeJP NA NA +PJ083714 SSSCKKMR C35H67N13O12S2 925.4474 NA PeJP NA NA +PJ083715 SNQEHRR C35H59N17O13 925.4479 NA PeJP NA NA +PJ083716 GTLMRYW C43H63N11O10S 925.448 NA PeJP NA NA +PJ083717 GGGKKMYW C43H63N11O10S 925.4481 NA PeJP NA NA +PJ083718 PKFYWW C51H59N9O8 925.4487 NA PeJP NA NA +PJ083719 TTKEERY C39H63N11O15 925.4505 NA PeJP NA NA +PJ083720 GGGSTKKEY C39H63N11O15 925.4506 NA PeJP NA NA +PJ083721 PTKMMRY C40H67N11O10S2 925.4514 NA PeJP NA NA +PJ083722 GNKEHRW C40H59N15O11 925.4519 NA PeJP NA NA +PJ083723 LKMYWW C48H63N9O8S 925.4521 NA PeJP NA NA +PJ083724 GSSSTTKKM C36H67N11O15S 925.4539 NA PeJP NA NA +PJ083725 STLKEYW C44H63N9O13 925.4546 NA PeJP NA NA +PJ083726 GTCKKKMM C37H71N11O10S3 925.4548 NA PeJP NA NA +PJ083727 SCNKRRY C37H63N15O11S 925.4552 NA PeJP NA NA +PJ083728 GGSCKRRY C37H63N15O11S 925.4553 NA PeJP NA NA +PJ083729 ALKMMFW C45H67N9O8S2 925.4554 NA PeJP NA NA +PJ083730 LEHRWW C45H59N13O9 925.4559 NA PeJP NA NA +PJ083731 VKKEEMY C41H67N9O13S 925.4579 NA PeJP NA NA +PJ083732 PPPVKEEM C41H67N9O13S 925.458 NA PeJP NA NA +PJ083733 SPLMHRW C42H63N13O9S 925.4593 NA PeJP NA NA +PJ083734 VLHWWW C50H59N11O7 925.4599 NA PeJP NA NA +PJ083735 STTTTTTTL C37H67N9O18 925.4604 NA PeJP NA NA +PJ083736 TTTTLKMM C38H71N9O13S2 925.4613 NA PeJP NA NA +PJ083737 TTTERRY C38H63N13O14 925.4618 NA PeJP NA NA +PJ083738 GLMMRRY C39H67N13O9S2 925.4627 NA PeJP NA NA +PJ083739 GSQHRRW C39H59N17O10 925.4631 NA PeJP NA NA +PJ083740 STTLRYW C43H63N11O12 925.4658 NA PeJP NA NA +PJ083741 AQQMHRR C36H63N17O10S 925.4665 NA PeJP NA NA +PJ083742 NKHRWW C44H59N15O8 925.4671 NA PeJP NA NA +PJ083743 GGKHRWW C44H59N15O8 925.4672 NA PeJP NA NA +PJ083744 SLKEMRY C40H67N11O12S 925.4692 NA PeJP NA NA +PJ083745 PPVLEWW C48H63N9O10 925.4698 NA PeJP NA NA +PJ083746 AKMHHFR C41H63N15O8S 925.4705 NA PeJP NA NA +PJ083747 SSSSTTTKK C36H67N11O17 925.4717 NA PeJP NA NA +PJ083748 SSSKKKMM C37H71N11O12S2 925.4725 NA PeJP NA NA +PJ083749 SLEEHRR C37H63N15O13 925.473 NA PeJP NA NA +PJ083750 GGGGGGGAAPLR C37H63N15O13 925.4731 NA PeJP NA NA +PJ083751 SVLKMYW C45H67N9O10S 925.4732 NA PeJP NA NA +PJ083752 PVMMHRR C38H67N15O8S2 925.4739 NA PeJP NA NA +PJ083753 SPHHHRR C38H59N19O9 925.4744 NA PeJP NA NA +PJ083754 SSSLLKEY C41H67N9O15 925.4757 NA PeJP NA NA +PJ083755 LLQKMMY C42H71N9O10S2 925.4766 NA PeJP NA NA +PJ083756 SVLEHRW C42H63N13O11 925.477 NA PeJP NA NA +PJ083757 GGPPKERW C42H63N13O11 925.4771 NA PeJP NA NA +PJ083758 GNMHRRR C35H63N19O9S 925.4777 NA PeJP NA NA +PJ083759 LLLEEFY C46H67N7O13 925.4797 NA PeJP NA NA +PJ083760 STLMRRY C39H67N13O11S 925.4804 NA PeJP NA NA +PJ083761 ATLLHWW C47H63N11O9 925.4811 NA PeJP NA NA +PJ083762 TTQQHRR C36H63N17O12 925.4842 NA PeJP NA NA +PJ083763 SNKEHRR C36H63N17O12 925.4843 NA PeJP NA NA +PJ083764 ACKKKYW C44H67N11O9S 925.4844 NA PeJP NA NA +PJ083765 LKFFWW C52H63N9O7 925.4851 NA PeJP NA NA +PJ083766 SSSTLLRY C40H67N11O14 925.4869 NA PeJP NA NA +PJ083767 GAAPPKKEE C40H67N11O14 925.487 NA PeJP NA NA +PJ083768 VVKMMRY C41H71N11O9S2 925.4878 NA PeJP NA NA +PJ083769 SPPQRRW C41H63N15O10 925.4883 NA PeJP NA NA +PJ083770 VLLQQYY C45H67N9O12 925.4909 NA PeJP NA NA +PJ083771 APPTLLEW C45H67N9O12 925.491 NA PeJP NA NA +PJ083772 CLLEHRR C38H67N15O10S 925.4916 NA PeJP NA NA +PJ083773 VVEMHRR C38H67N15O10S 925.4917 NA PeJP NA NA +PJ083774 GPPKRWW C46H63N13O8 925.4923 NA PeJP NA NA +PJ083775 GTTLLKMY C42H71N9O12S 925.4943 NA PeJP NA NA +PJ083776 SSQHRRR C35H63N19O11 925.4955 NA PeJP NA NA +PJ083777 ALLMHRW C43H67N13O8S 925.4957 NA PeJP NA NA +PJ083778 GSSTKKRY C39H67N13O13 925.4982 NA PeJP NA NA +PJ083779 GSKHRRW C40H63N17O9 925.4995 NA PeJP NA NA +PJ083780 SSKKKYW C44H67N11O11 925.5022 NA PeJP NA NA +PJ083781 PPNMRRR C37H67N17O9S 925.5029 NA PeJP NA NA +MJ097858 Amphotericin B; 28,29-Dihydro C47H75NO17 925.503499 NA MeJP NA NA +MJ097859 Nystatin; Nystatin A1 C47H75NO17 925.503499 NA MeJP NA NA +C06572 Nystatin C47H75NO17 925.5035 NA KEGG NA NA +C12155 Nystatin A1 C47H75NO17 925.5035 NA KEGG NA NA +PJ083782 TQKKKMY C41H71N11O11S 925.5056 NA PeJP NA NA +PJ083783 GLLKFYW C49H67N9O9 925.5062 NA PeJP NA NA +PJ083784 GSPPKERR C38H67N15O12 925.5094 NA PeJP NA NA +PJ083785 GPPLLLMW C46H71N9O9S 925.5096 NA PeJP NA NA +PJ083786 ALHHHRR C39H63N19O8 925.5107 NA PeJP NA NA +PJ083787 STTTLLKY C42H71N9O14 925.5121 NA PeJP NA NA +PJ083788 LLKKMMY C43H75N9O9S2 925.513 NA PeJP NA NA +PJ083789 TTLLHRW C43H67N13O10 925.5134 NA PeJP NA NA +PJ083790 ACKHRRR C36H67N19O8S 925.5141 NA PeJP NA NA +PJ083791 LLLLEYY C47H71N7O12 925.5161 NA PeJP NA NA +PJ083792 TCKKKRY C40H71N13O10S 925.5168 NA PeJP NA NA +PJ083793 PVLKHFW C48H67N11O8 925.5175 NA PeJP NA NA +PJ083794 PVNERRR C37H67N17O11 925.5206 NA PeJP NA NA +PJ083795 GGPVERRR C37H67N17O11 925.5207 NA PeJP NA NA +PJ083796 VLLKMHW C45H71N11O8S 925.5208 NA PeJP NA NA +PJ083797 GTTTKKKY C41H71N11O13 925.5233 NA PeJP NA NA +PJ083798 SPPKRRW C42H67N15O9 925.5247 NA PeJP NA NA +PJ083799 SPPTLLLW C46H71N9O11 925.5273 NA PeJP NA NA +PJ083800 GPVLLLEW C46H71N9O11 925.5274 NA PeJP NA NA +PJ083801 TLLMHRR C39H71N15O9S 925.528 NA PeJP NA NA +PJ083802 PPVLLKEM C43H75N9O11S 925.5307 NA PeJP NA NA +PJ083803 GPERRRR C36H67N19O10 925.5319 NA PeJP NA NA +PJ083804 SPPTLQKR C40H71N13O12 925.5345 NA PeJP NA NA +PJ083805 SSTLLLHR C40H71N13O12 925.5346 NA PeJP NA NA +PJ083806 GPVRRRW C41H67N17O8 925.5359 NA PeJP NA NA +PJ083807 PLLLERW C45H71N11O10 925.5386 NA PeJP NA NA +PJ083808 AKKMHRR C38H71N17O8S 925.5393 NA PeJP NA NA +PJ083809 TKKKKMY C42H75N11O10S 925.5419 NA PeJP NA NA +PJ083810 SPPLLLMR C42H75N11O10S 925.542 NA PeJP NA NA +PJ083811 PVLLLWW C50H71N9O8 925.5426 NA PeJP NA NA +PJ083812 PLQKERR C39H71N15O11 925.5458 NA PeJP NA NA +PJ083813 LLKKMFF C47H75N9O8S 925.546 NA PeJP NA NA +PJ083814 PRRRRW C40H67N19O7 925.5471 NA PeJP NA NA +PJ083815 PVVLLKEE C43H75N9O13 925.5485 NA PeJP NA NA +PJ083816 PVLQKRW C44H71N13O9 925.5498 NA PeJP NA NA +PJ083817 GPPLKKMR C41H75N13O9S 925.5532 NA PeJP NA NA +PJ083818 PVDKRRR C38H71N17O10 925.557 NA PeJP NA NA +PJ083819 SPVLLLER C42H75N11O12 925.5597 NA PeJP NA NA +PJ083820 VVLHFRR C43H71N15O8 925.561 NA PeJP NA NA +PJ083821 APLKRRW C43H71N15O8 925.5611 NA PeJP NA NA +PJ083822 APTLLLLW C47H75N9O10 925.5637 NA PeJP NA NA +PJ083823 VKKKMHR C40H75N15O8S 925.5644 NA PeJP NA NA +PJ083824 PVLLLLQM C44H79N9O10S 925.5671 NA PeJP NA NA +PJ083825 SPVRRRR C37H71N19O9 925.5683 NA PeJP NA NA +PJ083826 SPPTLKKR C41H75N13O11 925.5709 NA PeJP NA NA +PJ083827 GPVLKKER C41H75N13O11 925.571 NA PeJP NA NA +PJ083828 AAPLLKKW C46H75N11O9 925.575 NA PeJP NA NA +PJ083829 APLLLLMR C43H79N11O9S 925.5783 NA PeJP NA NA +PJ083830 PLKKERR C40H75N15O10 925.5822 NA PeJP NA NA +PJ083831 PTLLLLKE C44H79N9O12 925.5849 NA PeJP NA NA +PJ083832 PVLKKRW C45H75N13O8 925.5862 NA PeJP NA NA +PJ083833 PTLKRRR C39H75N17O9 925.5934 NA PeJP NA NA +PJ083834 GLLLLLER C43H79N11O11 925.5961 NA PeJP NA NA +PJ083835 GVLLLLLW C48H79N9O9 925.6001 NA PeJP NA NA +PJ083836 PVLLLLKM C45H83N9O9S 925.6035 NA PeJP NA NA +PJ083837 AVLRRRR C38H75N19O8 925.6046 NA PeJP NA NA +PJ083838 GLLRRRR C38H75N19O8 925.6047 NA PeJP NA NA +PJ083839 APTLLKKR C42H79N13O10 925.6073 NA PeJP NA NA +PJ083840 LLLLLRW C47H79N11O8 925.6113 NA PeJP NA NA +MJ097860 Dunaimycin D2S C50H87NO14 925.612656 NA MeJP NA NA +PJ083841 LLLQKRR C41H79N15O9 925.6186 NA PeJP NA NA +PJ083842 TLLLLLLQ C45H83N9O11 925.6212 NA PeJP NA NA +PJ083843 VVLLLLKE C45H83N9O11 925.6213 NA PeJP NA NA +PJ083844 VVLKRRR C40H79N17O8 925.6298 NA PeJP NA NA +PJ083845 SVLLLLLR C44H83N11O10 925.6325 NA PeJP NA NA +PJ083846 GVLLLKKR C43H83N13O9 925.6437 NA PeJP NA NA +PJ083847 LLLKKRR C42H83N15O8 925.6549 NA PeJP NA NA +PJ083848 TLLLLLLK C46H87N9O10 925.6576 NA PeJP NA NA +PJ083849 ALLLLKKK C45H87N11O9 925.6689 NA PeJP NA NA +HMDB08585 PC(22:1(13Z)/24:1(15Z)) C54H104NO8P 925.749939 NA HMDB2010 NA NA +HMDB08617 PC(22:2(13Z,16Z)/24:0) C54H104NO8P 925.749939 NA HMDB2010 NA NA +HMDB08777 PC(24:0/22:2(13Z,16Z)) C54H104NO8P 925.749939 NA HMDB2010 NA NA +HMDB08809 PC(24:1(15Z)/22:1(13Z)) C54H104NO8P 925.749939 NA HMDB2010 NA NA +2943 NA FGGFTGARKSARKLDNQ 925.97685 MH2+ Inhouse_peptide NA peptide +3936 aurein 3,1 GLFDIVKKIAGHIAGGSIG 926.01995 MH2+ Inhouse_peptide NA peptide +MJ097861 Pelargoniin A C40H30O26 926.102531 NA MeJP NA NA +MJ097862 Phyllanthusiin C C40H30O26 926.102531 NA MeJP NA NA +PJ083850 CCCCCDDY C32H46N8O14S5 926.1737 NA PeJP NA NA +PJ083851 CCCCCMMM C30H54N8O9S8 926.178 NA PeJP NA NA +PJ083852 CCCCCDMF C33H50N8O11S6 926.1924 NA PeJP NA NA +PJ083853 CCCCDDEH C31H46N10O15S4 926.2027 NA PeJP NA NA +PJ083854 CDDDDDDD C31H42N8O23S 926.2084 NA PeJP NA NA +PJ083855 SCCCCDMY C33H50N8O13S5 926.2101 NA PeJP NA NA +PJ083856 ACCCCMMY C34H54N8O10S6 926.2288 NA PeJP NA NA +PJ083857 CCCCNNMH C31H50N12O11S5 926.2326 NA PeJP NA NA +PJ083858 CCNNDDDE C31H46N10O19S2 926.2383 NA PeJP NA NA +PJ083859 SCCCDEMH C32H50N10O14S4 926.2391 NA PeJP NA NA +PJ083860 PCCCCMMH C33H54N10O9S6 926.24 NA PeJP NA NA +PJ083861 GCCCCEFY C37H50N8O12S4 926.2431 NA PeJP NA NA +PJ083862 SDDDDDDM C32H46N8O22S 926.2448 NA PeJP NA NA +PJ083863 PCCDDDEM C33H50N8O17S3 926.2457 NA PeJP NA NA +PJ083864 SSCCCMMY C34H54N8O12S5 926.2465 NA PeJP NA NA +PJ083865 GSSCCCCQH C31H50N12O13S4 926.2504 NA PeJP NA NA +PJ083866 GCCNDDDW C35H46N10O16S2 926.2535 NA PeJP NA NA +PJ083867 PCCCCDHF C36H50N10O11S4 926.2544 NA PeJP NA NA +PJ083868 GSSCNDDDD C31H46N10O21S 926.256 NA PeJP NA NA +PJ083869 GSPCCCNDE C32H50N10O16S3 926.2569 NA PeJP NA NA +PJ083870 GCCDMMMH C33H54N10O11S5 926.2578 NA PeJP NA NA +PJ083871 CCCCFYW C41H50N8O9S4 926.2584 NA PeJP NA NA +PJ083872 GSCCCEYY C37H50N8O14S3 926.2609 NA PeJP NA NA +PJ083873 ACCCCMFF C38H54N8O9S5 926.2618 NA PeJP NA NA +MJ097863 Sucrose; 1',3',6,6'-Tetrakis-O-(4-hydroxy-E-cinnamoyl) C48H46O19 926.263329 NA MeJP NA NA +PJ083874 GDDDDEMM C33H50N8O19S2 926.2634 NA PeJP NA NA +PJ083875 SSSSCCCNH C31H50N12O15S3 926.2681 NA PeJP NA NA +PJ083876 CCCCCQKH C32H54N12O10S5 926.269 NA PeJP NA NA +PJ083877 SPCCCNDW C36H50N10O13S3 926.2721 NA PeJP NA NA +PJ083878 SCNNDDEM C32H50N10O18S2 926.2746 NA PeJP NA NA +PJ083879 GGGGSCDDEM C32H50N10O18S2 926.2747 NA PeJP NA NA +PJ083880 SSCCEMMH C33H54N10O13S4 926.2755 NA PeJP NA NA +PJ083881 SCCCYYW C41H50N8O11S3 926.2761 NA PeJP NA NA +PJ083882 GCCCMHHH C34H50N14O9S4 926.2769 NA PeJP NA NA +PJ083883 GDDDDDEF C36H46N8O21 926.2778 NA PeJP NA NA +PJ083884 SSSCCDYY C37H50N8O16S2 926.2786 NA PeJP NA NA +PJ083885 DDDDMMW C37H50N8O16S2 926.2787 NA PeJP NA NA +PJ083886 CCNMMYY C38H54N8O11S4 926.2795 NA PeJP NA NA +PJ083887 SSDDDEEM C33H50N8O21S 926.2812 NA PeJP NA NA +PJ083888 SPCDDEMM C34H54N8O16S3 926.282 NA PeJP NA NA +PJ083889 GCDDDEHH C34H46N12O17S 926.2825 NA PeJP NA NA +PJ083890 PPCCDMMM C35H58N8O11S5 926.2829 NA PeJP NA NA +PJ083891 GCCCNNQW C35H50N12O12S3 926.2834 NA PeJP NA NA +PJ083892 SCCNDDDR C31H50N12O17S2 926.2859 NA PeJP NA NA +PJ083893 PCCCCNER C32H54N12O12S4 926.2867 NA PeJP NA NA +PJ083894 GAPCCCCDR C32H54N12O12S4 926.2868 NA PeJP NA NA +PJ083895 CCCEHFW C40H50N10O10S3 926.2874 NA PeJP NA NA +PJ083896 GNNDDDDY C35H46N10O20 926.289 NA PeJP NA NA +PJ083897 GSCNDDMW C36H50N10O15S2 926.2899 NA PeJP NA NA +PJ083898 GPCCCQMW C37H54N10O10S4 926.2908 NA PeJP NA NA +PJ083899 GSSSNDDDM C32H50N10O20S 926.2924 NA PeJP NA NA +PJ083900 DDDDDFW C40H46N8O18 926.2931 NA PeJP NA NA +PJ083901 GNNDDMMM C33H54N10O15S3 926.2933 NA PeJP NA NA +PJ083902 CCNDFYY C41H50N8O13S2 926.2939 NA PeJP NA NA +PJ083903 GSCMMMMH C34H58N10O10S5 926.2941 NA PeJP NA NA +PJ083904 STCCCHHH C34H50N14O11S3 926.2946 NA PeJP NA NA +PJ083905 GPDDDDMY C37H50N8O18S 926.2964 NA PeJP NA NA +PJ083906 GSTCCMYY C38H54N8O13S3 926.2973 NA PeJP NA NA +PJ083907 CDDDHHW C38H46N12O14S 926.2978 NA PeJP NA NA +PJ083908 GSDEEEMM C34H54N8O18S2 926.2998 NA PeJP NA NA +PJ083909 SSDDDDHH C34H46N12O19 926.3003 NA PeJP NA NA +PJ083910 GPDDMMMM C35H58N8O13S4 926.3007 NA PeJP NA NA +PJ083911 SSCCNNNW C35H50N12O14S2 926.3011 NA PeJP NA NA +PJ083912 GPCCCCRW C36H54N12O9S4 926.302 NA PeJP NA NA +PJ083913 SSSSCNNND C31H50N12O19S 926.3036 NA PeJP NA NA +PJ083914 GCCNDEMR C32H54N12O14S3 926.3045 NA PeJP NA NA +PJ083915 SCCNEWW C40H50N10O12S2 926.3051 NA PeJP NA NA +PJ083916 GGSCCEWW C40H50N10O12S2 926.3052 NA PeJP NA NA +PJ083917 CCCCCKKH C33H58N12O9S5 926.3054 NA PeJP NA NA +MJ097864 Jaspolyanoside; 3''-Hydroxy, 6'-deacyl, 2'-acyl C42H54O23 926.305588 NA MeJP NA NA +MJ097865 Jaspolyanoside; 3''-Hydroxy, 6'-deacyl, 3'-acyl C42H54O23 926.305588 NA MeJP NA NA +MJ097866 Jaspolyanoside; 3''-Hydroxy, 6'-deacyl, 4'-acyl C42H54O23 926.305588 NA MeJP NA NA +MJ097867 Jaspolyoside C42H54O23 926.305588 NA MeJP NA NA +PJ083918 SSSCNDEW C36H50N10O17S 926.3076 NA PeJP NA NA +PJ083919 GGSSTCDDW C36H50N10O17S 926.3077 NA PeJP NA NA +PJ083920 CNNEMMW C37H54N10O12S3 926.3085 NA PeJP NA NA +PJ083921 SSSSSNDDE C32H50N10O22 926.3101 NA PeJP NA NA +PJ083922 GGSSSSSDDE C32H50N10O22 926.3102 NA PeJP NA NA +PJ083923 SSNNDEMM C33H54N10O17S2 926.311 NA PeJP NA NA +PJ083924 SCNDYYY C41H50N8O15S 926.3116 NA PeJP NA NA +PJ083925 PCDDEYW C41H50N8O15S 926.3117 NA PeJP NA NA +PJ083926 SSTCMMMH C34H58N10O12S4 926.3119 NA PeJP NA NA +PJ083927 GCNNDMHH C34H50N14O13S2 926.3124 NA PeJP NA NA +PJ083928 CCNMFFY C42H54N8O10S3 926.3125 NA PeJP NA NA +PJ083929 NDEEEEY C37H50N8O20 926.3142 NA PeJP NA NA +PJ083930 SDEEMMW C38H54N8O15S2 926.315 NA PeJP NA NA +PJ083931 GPDDDMMF C38H54N8O15S2 926.3151 NA PeJP NA NA +PJ083932 GCCCDDRR C31H54N14O13S3 926.3157 NA PeJP NA NA +PJ083933 GGGGGGTCCCR C31H54N14O13S3 926.3158 NA PeJP NA NA +PJ083934 PCEMMMW C39H58N8O10S4 926.3159 NA PeJP NA NA +PJ083935 SSSEEEEM C34H54N8O20S 926.3175 NA PeJP NA NA +PJ083936 QEEEMMM C35H58N8O15S3 926.3184 NA PeJP NA NA +PJ083937 GCNNNNEY C35H50N12O16S 926.3189 NA PeJP NA NA +PJ083938 SPPCMMMM C36H62N8O10S5 926.3193 NA PeJP NA NA +PJ083939 CCNDMRW C36H54N12O11S3 926.3197 NA PeJP NA NA +PJ083940 GGCCDMRW C36H54N12O11S3 926.3198 NA PeJP NA NA +PJ083941 GSCCWWW C44H50N10O9S2 926.3204 NA PeJP NA NA +PJ083942 GSSSCNNQM C32H54N12O16S2 926.3222 NA PeJP NA NA +PJ083943 SSCNDDMR C32H54N12O16S2 926.3223 NA PeJP NA NA +PJ083944 GSSSCDWW C40H50N10O14S 926.3229 NA PeJP NA NA +PJ083945 SPCCCQMR C33H58N12O11S4 926.3231 NA PeJP NA NA +PJ083946 GCNMMWW C41H54N10O9S3 926.3238 NA PeJP NA NA +PJ083947 GSSSSSDDW C36H50N10O19 926.3254 NA PeJP NA NA +PJ083948 GSSNDMMW C37H54N10O14S2 926.3263 NA PeJP NA NA +PJ083949 CQMMMHF C38H58N10O9S4 926.3271 NA PeJP NA NA +PJ083950 GPCCCKMW C38H58N10O9S4 926.3272 NA PeJP NA NA +PJ083951 CCNQHHW C38H50N14O10S2 926.3276 NA PeJP NA NA +PJ083952 GSSSSNEEM C33H54N10O19S 926.3288 NA PeJP NA NA +PJ083953 GDEEEYW C41H50N8O17 926.3294 NA PeJP NA NA +PJ083954 DDEMMMR C34H58N10O14S3 926.3296 NA PeJP NA NA +PJ083955 GGGGGTEMMM C34H58N10O14S3 926.3297 NA PeJP NA NA +PJ083956 SSCNNEHH C34H50N14O15S 926.3301 NA PeJP NA NA +PJ083957 GGGGGGGGPCDH C34H50N14O15S 926.3302 NA PeJP NA NA +PJ083958 PCDEMFW C42H54N8O12S2 926.3303 NA PeJP NA NA +PJ083959 GSPDEEMY C38H54N8O17S 926.3328 NA PeJP NA NA +PJ083960 GSSSCCNNR C31H54N14O15S2 926.3335 NA PeJP NA NA +PJ083961 AEEMMMW C39H58N8O12S3 926.3337 NA PeJP NA NA +PJ083962 CNNNNYW C39H50N12O13S 926.3341 NA PeJP NA NA +PJ083963 GGGGGGCNYW C39H50N12O13S 926.3342 NA PeJP NA NA +PJ083964 SPCCCCRR C32H58N14O10S4 926.3344 NA PeJP NA NA +PJ083965 ACCCRWW C40H54N12O8S3 926.335 NA PeJP NA NA +PJ083966 GTTEEEMM C35H58N8O17S2 926.3362 NA PeJP NA NA +PJ083967 SSNNNNDY C35H50N12O18 926.3366 NA PeJP NA NA +PJ083968 GGGGGGSSNDY C35H50N12O18 926.3367 NA PeJP NA NA +PJ083969 GPTEMMMM C36H62N8O12S4 926.337 NA PeJP NA NA +PJ083970 GSSCCERW C36H54N12O13S2 926.3375 NA PeJP NA NA +PJ083971 GCNDFWW C44H50N10O11S 926.3382 NA PeJP NA NA +PJ083972 CCMMHFR C37H58N12O8S4 926.3384 NA PeJP NA NA +PJ083973 GPCCHHHH C37H50N16O9S2 926.3389 NA PeJP NA NA +PJ083974 GSSSSCDER C32H54N12O18S 926.34 NA PeJP NA NA +PJ083975 SNDEHYY C40H50N10O16 926.3406 NA PeJP NA NA +PJ083976 SNNDEYW C40H50N10O16 926.3407 NA PeJP NA NA +PJ083977 GSCNEMMR C33H58N12O13S3 926.3409 NA PeJP NA NA +PJ083978 SSCQMWW C41H54N10O11S2 926.3415 NA PeJP NA NA +PJ083979 SSSSNEMW C37H54N10O16S 926.344 NA PeJP NA NA +PJ083980 GGGGGAEEMY C37H54N10O16S 926.3441 NA PeJP NA NA +PJ083981 DEEYWW C45H50N8O14 926.3447 NA PeJP NA NA +PJ083982 SNQMMMW C38H58N10O11S3 926.3449 NA PeJP NA NA +PJ083983 GSSCNHHW C38H50N14O12S 926.3454 NA PeJP NA NA +PJ083984 CCNFFFF C46H54N8O9S2 926.3455 NA PeJP NA NA +PJ083985 GGCCFFFF C46H54N8O9S2 926.3456 NA PeJP NA NA +PJ083986 SSSSSSQEE C33H54N10O21 926.3465 NA PeJP NA NA +PJ083987 SSSQQEMM C34H58N10O16S2 926.3474 NA PeJP NA NA +PJ083988 GSSSSNDHH C34H50N14O17 926.3479 NA PeJP NA NA +PJ083989 SSNMYYY C42H54N8O14S 926.348 NA PeJP NA NA +PJ083990 SPDEMYW C42H54N8O14S 926.3481 NA PeJP NA NA +PJ083991 QQQMMMM C35H62N10O11S4 926.3483 NA PeJP NA NA +PJ083992 GCCNNNFR C35H54N14O12S2 926.3487 NA PeJP NA NA +PJ083993 GGGCCNNFR C35H54N14O12S2 926.3488 NA PeJP NA NA +PJ083994 PPCMMYW C43H58N8O9S3 926.3489 NA PeJP NA NA +PJ083995 TQEEEEY C38H54N8O19 926.3506 NA PeJP NA NA +PJ083996 TTEEMMW C39H58N8O14S2 926.3514 NA PeJP NA NA +PJ083997 GSPNDDHW C39H50N12O15 926.3519 NA PeJP NA NA +PJ083998 GSCCDMRR C32H58N14O12S3 926.3521 NA PeJP NA NA +PJ083999 PTMMMMW C40H62N8O9S4 926.3523 NA PeJP NA NA +PJ084000 SSCCRWW C40H54N12O10S2 926.3528 NA PeJP NA NA +PJ084001 STTTEEEM C35H58N8O19S 926.3539 NA PeJP NA NA +PJ084002 KEEEMMM C36H62N8O14S3 926.3548 NA PeJP NA NA +PJ084003 SSSSCDRW C36H54N12O15S 926.3553 NA PeJP NA NA +PJ084004 GPVMMMMM C37H66N8O9S5 926.3557 NA PeJP NA NA +PJ084005 GSNDYWW C44H50N10O13 926.3559 NA PeJP NA NA +PJ084006 SCNMMRW C37H58N12O10S3 926.3561 NA PeJP NA NA +PJ084007 GGGPCCMFR C37H58N12O10S3 926.3562 NA PeJP NA NA +PJ084008 NDMHHHH C37H50N16O11S 926.3566 NA PeJP NA NA +PJ084009 GCMHFFW C45H54N10O8S2 926.3568 NA PeJP NA NA +PJ084010 SSSSSSDDR C32H54N12O20 926.3578 NA PeJP NA NA +PJ084011 SSSNDMMR C33H58N12O15S2 926.3586 NA PeJP NA NA +PJ084012 GGGGGSSSCKM C33H58N12O15S2 926.3587 NA PeJP NA NA +PJ084013 SNNNNNNH C33H50N16O16 926.3591 NA PeJP NA NA +PJ084014 GGGGGGGGGGGGSH C33H50N16O16 926.3592 NA PeJP NA NA +PJ084015 GSSSSMWW C41H54N10O13S 926.3593 NA PeJP NA NA +PJ084016 NNMMMMR C34H62N12O10S4 926.3595 NA PeJP NA NA +PJ084017 GSCCQHHR C34H54N16O11S2 926.36 NA PeJP NA NA +PJ084018 ACCKMWW C42H58N10O8S3 926.3602 NA PeJP NA NA +PJ084019 GSSSSSTEW C37H54N10O18 926.3618 NA PeJP NA NA +PJ084020 GSSTQMMW C38H58N10O13S2 926.3627 NA PeJP NA NA +PJ084021 NNNNEHW C38H50N14O14 926.3631 NA PeJP NA NA +PJ084022 GGGGGGNEHW C38H50N14O14 926.3632 NA PeJP NA NA +PJ084023 EEMFWW C46H54N8O11S 926.3633 NA PeJP NA NA +PJ084024 CKMMMHF C39H62N10O8S4 926.3635 NA PeJP NA NA +PJ084025 CCNKHHW C39H54N14O9S2 926.364 NA PeJP NA NA +PJ084026 ASSSSTQEM C34H58N10O18S 926.3651 NA PeJP NA NA +PJ084027 GSSSSDKEM C34H58N10O18S 926.3652 NA PeJP NA NA +PJ084028 ATEEEYW C42H54N8O16 926.3658 NA PeJP NA NA +PJ084029 TEEMMMR C35H62N10O13S3 926.366 NA PeJP NA NA +PJ084030 GSCNNNRY C35H54N14O14S 926.3665 NA PeJP NA NA +PJ084031 APEMMYW C43H58N8O11S2 926.3667 NA PeJP NA NA +PJ084032 PMMMMMR C36H66N10O8S5 926.3669 NA PeJP NA NA +PJ084033 GDEHHFW C43H50N12O12 926.3672 NA PeJP NA NA +PJ084034 TCCCRRW C36H58N14O9S3 926.3674 NA PeJP NA NA +PJ084035 MMHHWW C44H54N12O7S2 926.368 NA PeJP NA NA +PJ084036 VQEEEMY C39H58N8O16S 926.3692 NA PeJP NA NA +PJ084037 SSSCCERR C32H58N14O14S2 926.3699 NA PeJP NA NA +PJ084038 SLEMMMW C40H62N8O11S3 926.37 NA PeJP NA NA +PJ084039 VTEMMMW C40H62N8O11S3 926.3701 NA PeJP NA NA +PJ084040 GCNERYW C40H54N12O12S 926.3705 NA PeJP NA NA +PJ084041 CCQMMRR C33H62N14O9S4 926.3707 NA PeJP NA NA +PJ084042 GACCMMRR C33H62N14O9S4 926.3708 NA PeJP NA NA +PJ084043 ACHHHHW C41H50N16O8S 926.3719 NA PeJP NA NA +PJ084044 SSTLEEMM C36H62N8O16S2 926.3726 NA PeJP NA NA +PJ084045 GSSNDERY C36H54N12O17 926.373 NA PeJP NA NA +PJ084046 GGGGGVEEEH C36H54N12O17 926.3731 NA PeJP NA NA +PJ084047 AALEMMMM C37H66N8O11S4 926.3734 NA PeJP NA NA +PJ084048 GSSTCMRW C37H58N12O12S2 926.3739 NA PeJP NA NA +PJ084049 GSSEHHHH C37H50N16O13 926.3744 NA PeJP NA NA +PJ084050 NQMYWW C45H54N10O10S 926.3745 NA PeJP NA NA +PJ084051 GGGAMYWW C45H54N10O10S 926.3746 NA PeJP NA NA +PJ084052 GSSSSSEMR C33H58N12O17S 926.3764 NA PeJP NA NA +PJ084053 SSSSSTWW C41H54N10O15 926.377 NA PeJP NA NA +PJ084054 GGGGTTEYW C41H54N10O15 926.3771 NA PeJP NA NA +PJ084055 GSSQMMMR C34H62N12O12S3 926.3773 NA PeJP NA NA +PJ084056 SSSCNHHR C34H54N16O13S 926.3777 NA PeJP NA NA +PJ084057 SSCKMWW C42H58N10O10S2 926.3779 NA PeJP NA NA +PJ084058 GNNNHWW C42H50N14O11 926.3784 NA PeJP NA NA +PJ084059 SSSSDKMW C38H58N10O15S 926.3804 NA PeJP NA NA +PJ084060 QQYYYY C46H54N8O13 926.381 NA PeJP NA NA +PJ084061 SPPDYYW C46H54N8O13 926.3811 NA PeJP NA NA +PJ084062 SNKMMMW C39H62N10O10S3 926.3813 NA PeJP NA NA +PJ084063 CQQQHHF C39H54N14O11S 926.3817 NA PeJP NA NA +PJ084064 PCNDHRW C39H54N14O11S 926.3818 NA PeJP NA NA +PJ084065 PPCMFFW C47H58N8O8S2 926.3819 NA PeJP NA NA +PJ084066 CCCMRRR C32H62N16O8S4 926.382 NA PeJP NA NA +PJ084067 DHHFWW C47H50N12O9 926.3824 NA PeJP NA NA +PJ084068 SSSSSSKEE C34H58N10O20 926.3829 NA PeJP NA NA +PJ084069 SSSQKEMM C35H62N10O15S2 926.3838 NA PeJP NA NA +PJ084070 ASSSSSQHH C35H54N14O16 926.3842 NA PeJP NA NA +PJ084071 NNEEEHR C35H54N14O16 926.3843 NA PeJP NA NA +PJ084072 GLEEMYW C43H58N8O13S 926.3844 NA PeJP NA NA +PJ084073 GAPEEMFF C43H58N8O13S 926.3845 NA PeJP NA NA +PJ084074 VEMMMMR C36H66N10O10S4 926.3847 NA PeJP NA NA +PJ084075 CCNEFRR C36H58N14O11S2 926.3851 NA PeJP NA NA +PJ084076 PCLMMFW C44H62N8O8S3 926.3853 NA PeJP NA NA +PJ084077 CNRYWW C44H54N12O9S 926.3858 NA PeJP NA NA +PJ084078 TKEEEEY C39H58N8O18 926.3869 NA PeJP NA NA +PJ084079 PPPTEEEE C39H58N8O18 926.387 NA PeJP NA NA +PJ084080 PKEEMMY C40H62N8O13S2 926.3878 NA PeJP NA NA +PJ084081 SSNDRYW C40H54N12O14 926.3883 NA PeJP NA NA +PJ084082 GSSCMMRR C33H62N14O11S3 926.3885 NA PeJP NA NA +PJ084083 VVMMMMW C41H66N8O8S4 926.3887 NA PeJP NA NA +PJ084084 ACNMFRW C41H58N12O9S2 926.3891 NA PeJP NA NA +PJ084085 GCQMFRW C41H58N12O9S2 926.3892 NA PeJP NA NA +PJ084086 SSHHHHW C41H50N16O10 926.3896 NA PeJP NA NA +PJ084087 ATTLEMMM C37H66N8O13S3 926.3912 NA PeJP NA NA +PJ084088 SSSSSMRW C37H58N12O14S 926.3916 NA PeJP NA NA +PJ084089 GGSQEMRY C37H58N12O14S 926.3917 NA PeJP NA NA +PJ084090 GSTQYWW C45H54N10O12 926.3923 NA PeJP NA NA +PJ084091 TCCKMRW C38H62N12O9S3 926.3925 NA PeJP NA NA +PJ084092 CNNHHFR C38H54N16O10S 926.393 NA PeJP NA NA +PJ084093 SSSSSSTER C33H58N12O19 926.3941 NA PeJP NA NA +PJ084094 GGGSSSSSSSK C33H58N12O19 926.3942 NA PeJP NA NA +PJ084095 SSSTQMMR C34H62N12O14S2 926.395 NA PeJP NA NA +PJ084096 NDDDHRR C34H54N16O15 926.3955 NA PeJP NA NA +PJ084097 GNKEMYW C42H58N10O12S 926.3957 NA PeJP NA NA +PJ084098 CQKMMMR C35H66N12O9S4 926.3959 NA PeJP NA NA +PJ084099 PEFYWW C50H54N8O10 926.3963 NA PeJP NA NA +PJ084100 GSCCKHHR C35H58N16O10S2 926.3964 NA PeJP NA NA +PJ084101 SSSSSSSLW C38H58N10O17 926.3982 NA PeJP NA NA +PJ084102 GSSTKMMW C39H62N10O12S2 926.399 NA PeJP NA NA +PJ084103 GGGSPKMMY C39H62N10O12S2 926.3991 NA PeJP NA NA +PJ084104 GNEEHRW C39H54N14O13 926.3995 NA PeJP NA NA +PJ084105 GGGGGGGGAPHF C39H54N14O13 926.3996 NA PeJP NA NA +PJ084106 LEMYWW C47H58N8O10S 926.3997 NA PeJP NA NA +PJ084107 GCCFRRW C40H58N14O8S2 926.4004 NA PeJP NA NA +PJ084108 GSSSTTKEM C35H62N10O17S 926.4015 NA PeJP NA NA +PJ084109 STLEEYW C43H58N8O15 926.4022 NA PeJP NA NA +PJ084110 GSDKKMMM C36H66N10O12S3 926.4024 NA PeJP NA NA +PJ084111 SCNERRY C36H58N14O13S 926.4029 NA PeJP NA NA +PJ084112 SPLMMYW C44H62N8O10S2 926.4031 NA PeJP NA NA +PJ084113 AAQEHWW C44H54N12O11 926.4035 NA PeJP NA NA +PJ084114 GGGVEHWW C44H54N12O11 926.4036 NA PeJP NA NA +PJ084115 CLMMHHR C37H62N14O8S3 926.4038 NA PeJP NA NA +PJ084116 TCHHHHR C37H54N18O9S 926.4042 NA PeJP NA NA +PJ084117 VKEEEMY C40H62N8O15S 926.4056 NA PeJP NA NA +PJ084118 SSSTCMRR C33H62N14O13S2 926.4063 NA PeJP NA NA +PJ084119 AAPLMMMY C41H66N8O10S3 926.4064 NA PeJP NA NA +PJ084120 GSQMRYW C41H58N12O11S 926.4069 NA PeJP NA NA +PJ084121 CCKMMRR C34H66N14O8S4 926.4071 NA PeJP NA NA +PJ084122 NQFFWW C49H54N10O9 926.4076 NA PeJP NA NA +PJ084123 TTTTLEMM C37H66N8O15S2 926.4089 NA PeJP NA NA +PJ084124 GSSTQERY C37H58N12O16 926.4094 NA PeJP NA NA +PJ084125 GTLLMMMM C38H70N8O10S4 926.4098 NA PeJP NA NA +PJ084126 AQQMMRY C38H62N12O11S2 926.4103 NA PeJP NA NA +PJ084127 SNNNHRW C38H54N16O12 926.4107 NA PeJP NA NA +PJ084128 GGSNNHRW C38H54N16O12 926.4108 NA PeJP NA NA +PJ084129 NKMYWW C46H58N10O9S 926.4109 NA PeJP NA NA +PJ084130 GSSSTTTMR C34H62N12O16S 926.4128 NA PeJP NA NA +PJ084131 SSQKEYW C42H58N10O14 926.4134 NA PeJP NA NA +PJ084132 GGGGGALEFY C42H58N10O14 926.4135 NA PeJP NA NA +PJ084133 GSSKMMMR C35H66N12O11S3 926.4137 NA PeJP NA NA +PJ084134 GSPCDHRR C35H58N16O12S 926.4141 NA PeJP NA NA +PJ084135 GGGGGGAAMHR C35H58N16O12S 926.4142 NA PeJP NA NA +PJ084136 PCCKKYW C43H62N10O9S2 926.4143 NA PeJP NA NA +PJ084137 NEHRWW C43H54N14O10 926.4148 NA PeJP NA NA +PJ084138 SSSTTKMW C39H62N10O14S 926.4168 NA PeJP NA NA +PJ084139 PPTTYYW C47H58N8O12 926.4174 NA PeJP NA NA +PJ084140 GPLEYYW C47H58N8O12 926.4175 NA PeJP NA NA +PJ084141 TCKKMMW C40H66N10O9S3 926.4177 NA PeJP NA NA +PJ084142 GSCRRYW C40H58N14O10S 926.4181 NA PeJP NA NA +PJ084143 GGSPMHRW C40H58N14O10S 926.4182 NA PeJP NA NA +PJ084144 VNHWWW C48H54N12O8 926.4188 NA PeJP NA NA +PJ084145 SSSSTTTKE C35H62N10O19 926.4193 NA PeJP NA NA +PJ084146 SSSKKEMM C36H66N10O14S2 926.4202 NA PeJP NA NA +PJ084147 GSSSDRRY C36H58N14O15 926.4206 NA PeJP NA NA +PJ084148 GPPDDDRR C36H58N14O15 926.4207 NA PeJP NA NA +PJ084149 SVLEMYW C44H62N8O12S 926.4208 NA PeJP NA NA +PJ084150 QKKMMMM C37H70N10O9S4 926.421 NA PeJP NA NA +PJ084151 GAKKMMMM C37H70N10O9S4 926.4211 NA PeJP NA NA +PJ084152 GNMMRRY C37H62N14O10S2 926.4215 NA PeJP NA NA +PJ084153 APCKHWW C45H58N12O8S 926.4222 NA PeJP NA NA +PJ084154 SSSLLEEY C40H62N8O17 926.4233 NA PeJP NA NA +PJ084155 LLQEMMY C41H66N8O12S2 926.4242 NA PeJP NA NA +PJ084156 SSTQRYW C41H58N12O13 926.4247 NA PeJP NA NA +PJ084157 CNNQHRR C34H58N18O11S 926.4253 NA PeJP NA NA +PJ084158 GGCNQHRR C34H58N18O11S 926.4254 NA PeJP NA NA +PJ084159 GCKMFRW C42H62N12O8S2 926.4255 NA PeJP NA NA +PJ084160 VNHHHHF C42H54N16O9 926.426 NA PeJP NA NA +PJ084161 STTLLMMM C38H70N8O12S3 926.4276 NA PeJP NA NA +PJ084162 SNKEMRY C38H62N12O13S 926.428 NA PeJP NA NA +PJ084163 GGGGGTCKKY C38H62N12O13S 926.4281 NA PeJP NA NA +PJ084164 GSTKYWW C46H58N10O11 926.4287 NA PeJP NA NA +PJ084165 LKMMMHH C39H66N12O8S3 926.4289 NA PeJP NA NA +PJ084166 TKMHHHH C39H58N16O9S 926.4294 NA PeJP NA NA +PJ084167 GHRWWW C47H54N14O7 926.43 NA PeJP NA NA +PJ084168 SSSSTTTTR C34H62N12O18 926.4305 NA PeJP NA NA +C14539 Krm 1657 C50H62N4O13 926.4313 NA KEGG NA NA +PJ084169 SSSTKMMR C35H66N12O13S2 926.4314 NA PeJP NA NA +PJ084170 SNEEHRR C35H58N16O14 926.4319 NA PeJP NA NA +PJ084171 ATQKMYW C43H62N10O11S 926.432 NA PeJP NA NA +PJ084172 GDKKMYW C43H62N10O11S 926.4321 NA PeJP NA NA +PJ084173 CKKMMMR C36H70N12O8S4 926.4323 NA PeJP NA NA +PJ084174 PLYYWW C51H58N8O9 926.4327 NA PeJP NA NA +PJ084175 ACCRRRY C36H62N16O9S2 926.4328 NA PeJP NA NA +PJ084176 SSSLNKEY C39H62N10O16 926.4345 NA PeJP NA NA +PJ084177 GSSKKEEY C39H62N10O16 926.4346 NA PeJP NA NA +PJ084178 VVEMMRY C40H66N10O11S2 926.4354 NA PeJP NA NA +PJ084179 GGGAPPPLMM C40H66N10O11S2 926.4355 NA PeJP NA NA +PJ084180 GDKEHRW C40H58N14O12 926.4359 NA PeJP NA NA +PJ084181 APLMFYW C48H62N8O9S 926.4361 NA PeJP NA NA +PJ084182 GHHHHFR C41H54N18O8 926.4373 NA PeJP NA NA +PJ084183 SSSSSTLKM C36H66N10O16S 926.4379 NA PeJP NA NA +PJ084184 PVKEEYY C44H62N8O14 926.4386 NA PeJP NA NA +PJ084185 GTTKKMMM C37H70N10O11S3 926.4388 NA PeJP NA NA +PJ084186 SSQMRRY C37H62N14O12S 926.4393 NA PeJP NA NA +PJ084187 ALLMMYW C45H66N8O9S2 926.4394 NA PeJP NA NA +PJ084188 VVVMMYW C45H66N8O9S2 926.4395 NA PeJP NA NA +PJ084189 GPPERWW C45H58N12O10 926.4399 NA PeJP NA NA +PJ084190 ASTLLEMY C41H66N8O14S 926.4419 NA PeJP NA NA +PJ084191 GTTLLEMY C41H66N8O14S 926.442 NA PeJP NA NA +PJ084192 AALLMMMF C42H70N8O9S3 926.4428 NA PeJP NA NA +PJ084193 GSSNNHRR C34H58N18O13 926.4431 NA PeJP NA NA +PJ084194 GSKMRYW C42H62N12O10S 926.4433 NA PeJP NA NA +PJ084195 NKFFWW C50H58N10O8 926.4439 NA PeJP NA NA +PJ084196 GPPVWWW C50H58N10O8 926.444 NA PeJP NA NA +MJ097868 Keramamide A; 5'-Deoxy C49H63ClN8O8 926.445738 NA MeJP NA NA +PJ084197 GSSTKERY C38H62N12O15 926.4458 NA PeJP NA NA +PJ084198 AQKMMRY C39H66N12O10S2 926.4467 NA PeJP NA NA +PJ084199 GSEHRRW C39H58N16O11 926.4471 NA PeJP NA NA +PJ084200 GGGPTKHHH C39H58N16O11 926.4472 NA PeJP NA NA +PJ084201 PPLMHFW C47H62N10O8S 926.4473 NA PeJP NA NA +PJ084202 SSKKEYW C43H62N10O13 926.4498 NA PeJP NA NA +PJ084203 SCCCKKKK C36H70N12O10S3 926.45 NA PeJP NA NA +PJ084204 SSCRRRY C36H62N16O11S 926.4505 NA PeJP NA NA +PJ084205 GKKMMFW C44H66N10O8S2 926.4507 NA PeJP NA NA +MJ097869 1,3,20-Trihydroxywitha-5,24-dienolide, 3-O-[?-D-Xylopyranosyl-(1?3)-[?-D-xylopyranosyl-(1?4)]-?-D-glucopyranoside], 1-Ac C46H70O19 926.45113 NA MeJP NA NA +MJ097870 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[[1-Carboxy-1-(carboxymethoxy)methyl]-(?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C46H70O19 926.45113 NA MeJP NA NA +MJ097871 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[[1S-(Carboxymethoxy)carboxymethyl]-(?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C46H70O19 926.45113 NA MeJP NA NA +PJ084206 DKHRWW C44H58N14O9 926.4512 NA PeJP NA NA +PJ084207 TQKKEMY C40H66N10O13S 926.4532 NA PeJP NA NA +PJ084208 SPVLYYW C48H62N8O11 926.4538 NA PeJP NA NA +PJ084209 GAPLEFFF C48H62N8O11 926.4539 NA PeJP NA NA +PJ084210 VLMMMFR C41H70N10O8S3 926.4541 NA PeJP NA NA +PJ084211 GLQMHRW C41H62N14O9S 926.4545 NA PeJP NA NA +PJ084212 PPRWWW C49H58N12O7 926.4552 NA PeJP NA NA +PJ084213 SSTTTTTTK C36H66N10O18 926.4557 NA PeJP NA NA +PJ084214 STTTKKMM C37H70N10O13S2 926.4565 NA PeJP NA NA +PJ084215 GSSTTRRY C37H62N14O14 926.457 NA PeJP NA NA +PJ084216 GGGGGPLQER C37H62N14O14 926.4571 NA PeJP NA NA +PJ084217 TTLLMYW C45H66N8O11S 926.4572 NA PeJP NA NA +PJ084218 KKKMMMM C38H74N10O8S4 926.4574 NA PeJP NA NA +PJ084219 ACKMRRY C38H66N14O9S2 926.4579 NA PeJP NA NA +PJ084220 VNQHHHR C38H58N18O10 926.4584 NA PeJP NA NA +PJ084221 STTTLLEY C41H66N8O16 926.4597 NA PeJP NA NA +PJ084222 LLKEMMY C42H70N8O11S2 926.4606 NA PeJP NA NA +PJ084223 SSTKRYW C42H62N12O12 926.461 NA PeJP NA NA +PJ084224 PPDKERW C42H62N12O12 926.4611 NA PeJP NA NA +PJ084225 CNNKHRR C35H62N18O10S 926.4617 NA PeJP NA NA +PJ084226 GDMHRRR C35H62N18O10S 926.4618 NA PeJP NA NA +PJ084227 SHRRWW C43H58N16O8 926.4624 NA PeJP NA NA +PJ084228 SDKKMRY C39H66N12O12S 926.4644 NA PeJP NA NA +PJ084229 GGGGGGPPLKM C39H66N12O12S 926.4645 NA PeJP NA NA +PJ084230 PPVDKWW C47H62N10O10 926.4651 NA PeJP NA NA +PJ084231 AAMHRRW C40H62N16O8S 926.4658 NA PeJP NA NA +PJ084232 SDKEHRR C36H62N16O13 926.4683 NA PeJP NA NA +PJ084233 ATKKMYW C44H66N10O10S 926.4684 NA PeJP NA NA +PJ084234 LLLDMHW C44H66N10O10S 926.4685 NA PeJP NA NA +PJ084235 LLFYWW C52H62N8O8 926.4691 NA PeJP NA NA +PJ084236 GQHHHRR C37H58N20O9 926.4696 NA PeJP NA NA +PJ084237 GTTTKKEY C40H66N10O15 926.4709 NA PeJP NA NA +PJ084238 SSLLLEEH C40H66N10O15 926.471 NA PeJP NA NA +PJ084239 TLLMMRY C41H70N10O10S2 926.4718 NA PeJP NA NA +PJ084240 SPPERRW C41H62N14O11 926.4723 NA PeJP NA NA +PJ084241 ALLMFFW C49H66N8O8S 926.4725 NA PeJP NA NA +7700 ACE inhibitor from human plasma YLYEIAR 926.474 antioxidative Inhouse_peptide NA peptide +PJ084242 VLLQEYY C45H66N8O13 926.475 NA PeJP NA NA +PJ084243 SSKMRRY C38H66N14O11S 926.4757 NA PeJP NA NA +PJ084244 SPPVRWW C46H62N12O9 926.4763 NA PeJP NA NA +PJ084245 SSTLLLMY C42H70N8O13S 926.4783 NA PeJP NA NA +PJ084246 PPVLLEEM C42H70N8O13S 926.4784 NA PeJP NA NA +PJ084247 SSEHRRR C35H62N18O12 926.4795 NA PeJP NA NA +PJ084248 PPLQMRW C43H66N12O9S 926.4797 NA PeJP NA NA +PJ084249 SSSSLKRY C39H66N12O14 926.4822 NA PeJP NA NA +PJ084250 AKKMMRY C40H70N12O9S2 926.483 NA PeJP NA NA +PJ084251 APPPKMMR C40H70N12O9S2 926.4831 NA PeJP NA NA +PJ084252 ATTHRRW C40H62N16O10 926.4835 NA PeJP NA NA +PJ084253 TTTKKYW C44H66N10O12 926.4862 NA PeJP NA NA +PJ084254 PPDMRRR C37H66N16O10S 926.4869 NA PeJP NA NA +C17540 Chikusetsusaponin IV C47H74O18 926.4875 NA KEGG NA NA +C17545 Chikusetsusaponin Ib C47H74O18 926.4875 NA KEGG NA NA +PJ084255 VVLHHHW C45H62N14O8 926.4875 NA PeJP NA NA +MJ097872 12-Oleanene-3,16,21,22,23,28-hexol, 21-O-(2S-Methylbutanoyl), 3-O-[?-arabino-2-hexulopyranosyl-(1?3)-?-D-glucuronopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097873 12-Oleanene-3,16,21,22,23,28-hexol, 21-Tigloyl, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-glucuronopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097874 12-Oleanene-3,22,24,30-tetrol, 22-Ketone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097875 3,11,19,20-Tetrahydroxy-13(18)-ursen-28-oic acid, 28?20 Lactone, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097876 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097877 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-glucopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097878 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-L-arabinopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097879 3,21-Dihydroxy-16-oxo-28-nor-12-oleanen-23-al, 3-O-[?-D-Galactopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097880 3-Hydroxy-12-ursen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C47H74O18 926.487515 NA MeJP NA NA +MJ097881 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-L-rhamnopyranoside], 28-O-?-D-glucopyranosyl ester C47H74O18 926.487515 NA MeJP NA NA +MJ097882 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-6-deoxy-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C47H74O18 926.487515 NA MeJP NA NA +MJ097883 3-Hydroxy-18-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucuronopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097884 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-arabinofuranosyl-(1?4)]-?-D-glucuronopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097885 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-L-arabinopyranosyl-(1?4)]-?-D-glucuronopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097886 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-arabinopyranosyl-(1?4)-?-D-glucuronopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097887 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?3)]-?-D-glucuronopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097888 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucuronopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097889 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-[?-D-glucuronopyranosyl-(1?3)]-?-D-glucopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097890 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?2)]-?-D-glucuronopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097891 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?2)]-?-D-glucuronopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097892 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?4)-[?-D-glucopyranosyl-(1?2)]-?-D-glucuronopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097893 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucuronopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097894 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?2)-[?-D-glucopyransoyl-(1?3)]-?-D-glucuronopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097895 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?4)-[?-D-galactopyranosyl-(1?2)]-?-D-glucuronopyranoside] C47H74O18 926.487515 NA MeJP NA NA +MJ097896 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C47H74O18 926.487515 NA MeJP NA NA +MJ097897 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C47H74O18 926.487515 NA MeJP NA NA +MJ097898 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C47H74O18 926.487515 NA MeJP NA NA +MJ097899 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?4)-?-D-glucuronopyranoside], 28-O-?-D-galactopyranosyl ester C47H74O18 926.487515 NA MeJP NA NA +MJ097900 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?4)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C47H74O18 926.487515 NA MeJP NA NA +MJ097901 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C47H74O18 926.487515 NA MeJP NA NA +PJ084256 GPKHFRW C45H62N14O8 926.4876 NA PeJP NA NA +PJ084257 TKKKEMY C41H70N10O12S 926.4896 NA PeJP NA NA +PJ084258 GLLLYYW C49H66N8O10 926.4902 NA PeJP NA NA +PJ084259 PPCLRRW C42H66N14O8S 926.4909 NA PeJP NA NA +PJ084260 PLQEERR C38H66N14O13 926.4934 NA PeJP NA NA +PJ084261 GGGGGGGGPVKK C38H66N14O13 926.4935 NA PeJP NA NA +PJ084262 PLLKMYY C46H70N8O10S 926.4936 NA PeJP NA NA +PJ084263 PKKMMHR C39H70N14O8S2 926.4943 NA PeJP NA NA +PJ084264 PPQHHRR C39H62N18O9 926.4948 NA PeJP NA NA +PJ084265 PVVLLEEE C42H70N8O15 926.4961 NA PeJP NA NA +PJ084266 PVLQERW C43H66N12O11 926.4974 NA PeJP NA NA +PJ084267 GGPLLERW C43H66N12O11 926.4975 NA PeJP NA NA +PJ084268 ATMHRRR C36H66N18O9S 926.4981 NA PeJP NA NA +PJ084269 TTKKMRY C40H70N12O11S 926.5008 NA PeJP NA NA +PJ084270 PPTLKWW C48H66N10O9 926.5015 NA PeJP NA NA +MJ097902 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-Cinnamoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C51H74O15 926.502771 NA MeJP NA NA +MJ097903 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-Cinnamoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranoside] C51H74O15 926.502771 NA MeJP NA NA +PJ084271 TTKEHRR C37H66N16O12 926.5046 NA PeJP NA NA +PJ084272 PVDERRR C37H66N16O12 926.5047 NA PeJP NA NA +PJ084273 GPPVLKMW C45H70N10O9S 926.5048 NA PeJP NA NA +PJ084274 GKHHHRR C38H62N20O8 926.506 NA PeJP NA NA +PJ084275 SSTTLKKY C41H70N10O14 926.5073 NA PeJP NA NA +PJ084276 GGPVVLKEE C41H70N10O14 926.5074 NA PeJP NA NA +PJ084277 VKKKMMY C42H74N10O9S2 926.5082 NA PeJP NA NA +PJ084278 APLERRW C42H66N14O10 926.5087 NA PeJP NA NA +PJ084279 AATIILYY C46H70N8O12 926.5113 NA PeJP NA NA +MJ097904 Nostopeptin B C46H70N8O12 926.511319 NA MeJP NA NA +PJ084280 VLLKEYY C46H70N8O12 926.5114 NA PeJP NA NA +PJ084281 VKKEMHR C39H70N14O10S 926.512 NA PeJP NA NA +PJ084282 GPPTLMRR C39H70N14O10S 926.5121 NA PeJP NA NA +PJ084283 GPLLRWW C47H66N12O8 926.5127 NA PeJP NA NA +PJ084284 TTTHRRR C36H66N18O11 926.5159 NA PeJP NA NA +PJ084285 PPLKMRW C44H70N12O8S 926.5161 NA PeJP NA NA +PJ084286 GPVLKEER C40H70N12O13 926.5186 NA PeJP NA NA +PJ084287 GPQKRRW C41H66N16O9 926.5199 NA PeJP NA NA +PJ084288 AAPLLKEW C45H70N10O11 926.5226 NA PeJP NA NA +PJ084289 SLKMHRR C38H70N16O9S 926.5233 NA PeJP NA NA +C08976 Saikosaponin BK1 C48H78O17 926.5239 NA KEGG NA NA +MJ097905 12-Oleanene-3,22-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H78O17 926.523901 NA MeJP NA NA +MJ097906 12-Oleanene-3,22-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H78O17 926.523901 NA MeJP NA NA +MJ097907 13,28-Epoxy-11-oleanene-3,16-diol, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?2)]-?-D-fucopyranoside] C48H78O17 926.523901 NA MeJP NA NA +MJ097908 13,28-Epoxy-11-oleanene-3,16-diol, 3-O-[?-D-Glucopyranosyl-(1?6)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C48H78O17 926.523901 NA MeJP NA NA +MJ097909 13,28-Epoxy-11-oleanene-3,23-diol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-D-glucopyranosyl(1?2)]-?-D-fucopyranoside] C48H78O17 926.523901 NA MeJP NA NA +MJ097910 27(13?18)-Abeo-3-hydroxy-13-taraxeren-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O17 926.523901 NA MeJP NA NA +MJ097911 27(13?18)-Abeo-3-hydroxy-14-taraxeren-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O17 926.523901 NA MeJP NA NA +MJ097912 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C48H78O17 926.523901 NA MeJP NA NA +MJ097913 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-Cymaropyranosyl-(1?4)-?-cymaropyranosyl-(1?4)-?-oleandropyranosyl-(1?4)-?-digitoxopyranoside] C48H78O17 926.523901 NA MeJP NA NA +MJ097914 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-Cymaropyranosyl-(1?4)-?-oleandropyranosyl-(1?4)-?-oleandropyranosyl-(1?4)-?-digitoxopyranoside] C48H78O17 926.523901 NA MeJP NA NA +MJ097915 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-oleandropyranosyl-(1?4)-?-D-digitoxopyranoside] C48H78O17 926.523901 NA MeJP NA NA +MJ097916 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C48H78O17 926.523901 NA MeJP NA NA +MJ097917 3-Hydroxy-12-oleanen-28-oic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O17 926.523901 NA MeJP NA NA +MJ097918 3-Hydroxy-20(29)-lupen-28-oic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O17 926.523901 NA MeJP NA NA +MJ097919 Jujubogenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-L-rhamnopyranoside C48H78O17 926.523901 NA MeJP NA NA +MJ097920 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C48H78O17 926.523901 NA MeJP NA NA +MJ097921 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] C48H78O17 926.523901 NA MeJP NA NA +MJ097922 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C48H78O17 926.523901 NA MeJP NA NA +MJ097923 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C48H78O17 926.523901 NA MeJP NA NA +MJ097924 Oleanolic acid glycosyl esters; Triglycosides, [?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O17 926.523901 NA MeJP NA NA +PJ084290 STLLLLMH C42H74N10O11S 926.526 NA PeJP NA NA +PJ084291 PLLKFFY C50H70N8O9 926.5266 NA PeJP NA NA +MJ097925 Cephalostatin 2 C54H74N2O11 926.529261 NA MeJP NA NA +MJ097926 Igercine C39H70N14O12 926.529763 NA MeJP NA NA +PJ084292 PLKEERR C39H70N14O12 926.5298 NA PeJP NA NA +PJ084293 LLLKMFY C47H74N8O9S 926.53 NA PeJP NA NA +3940 aurein 3,3 GLFDIVKKIAGHIVSSIG 926.53045 MH2+ Inhouse_peptide NA peptide +PJ084294 GVHFRRR C40H66N18O8 926.5312 NA PeJP NA NA +PJ084295 PTLLLLEE C43H74N8O14 926.5325 NA PeJP NA NA +PJ084296 PPLLLLMM C44H78N8O9S2 926.5334 NA PeJP NA NA +PJ084297 PVLKERW C44H70N12O10 926.5338 NA PeJP NA NA +MJ097927 Foromacidin A; 3,4''-Di-Ac C47H78N2O16 926.535134 NA MeJP NA NA +PJ084298 SPPVLKMR C41H74N12O10S 926.5372 NA PeJP NA NA +PJ084299 PVVLKWW C49H70N10O8 926.5379 NA PeJP NA NA +PJ084300 PTLERRR C38H70N16O11 926.541 NA PeJP NA NA +PJ084301 GGPKKERR C38H70N16O11 926.5411 NA PeJP NA NA +PJ084302 VKKKMFF C46H74N10O8S 926.5412 NA PeJP NA NA +PJ084303 HFRRRR C39H66N20O7 926.5424 NA PeJP NA NA +8098 ADNF-9 SALLRSIPA 926.543 binding Inhouse_peptide NA peptide +PJ084304 APLLKKEE C42H74N10O13 926.5437 NA PeJP NA NA +PJ084305 SPLLRRW C43H70N14O9 926.5451 NA PeJP NA NA +PJ084306 PPVLLLEF C47H74N8O11 926.5478 NA PeJP NA NA +PJ084307 AAPLLMRR C40H74N14O9S 926.5484 NA PeJP NA NA +PJ084308 PVLLLLEM C44H78N8O11S 926.5511 NA PeJP NA NA +PJ084309 SPQKRRR C37H70N18O10 926.5523 NA PeJP NA NA +PJ084310 STTILKKH C41H74N12O12 926.5549 NA PeJP NA NA +PJ084311 APTLLKER C41H74N12O12 926.555 NA PeJP NA NA +PJ084312 GPKKRRW C42H70N16O8 926.5563 NA PeJP NA NA +PJ084313 GPTLLLKW C46H74N10O10 926.559 NA PeJP NA NA +PJ084314 PVLMRRR C39H74N16O8S 926.5597 NA PeJP NA NA +PJ084315 PPTLLKKM C43H78N10O10S 926.5624 NA PeJP NA NA +PJ084316 LLLKFFF C51H74N8O8 926.563 NA PeJP NA NA +PJ084317 GVQRRRR C36H70N20O9 926.5635 NA PeJP NA NA +MJ097928 Cephalostatin 8 C55H78N2O10 926.565646 NA MeJP NA NA +MJ097929 Ritterazine E C55H78N2O10 926.565646 NA MeJP NA NA +PJ084318 LLLQERR C40H74N14O11 926.5662 NA PeJP NA NA +PJ084319 VVLLLLEE C44H78N8O13 926.5689 NA PeJP NA NA +PJ084320 VLLLQRW C45H74N12O9 926.5702 NA PeJP NA NA +MJ097930 Foromacidin A; 4''-(3-Methylbutanoyl) C48H82N2O15 926.571519 NA MeJP NA NA +PJ084321 GPLLLKMR C42H78N12O9S 926.5736 NA PeJP NA NA +PJ084322 QRRRRR C35H70N22O8 926.5747 NA PeJP NA NA +PJ084323 GARRRRR C35H70N22O8 926.5748 NA PeJP NA NA +PJ084324 VVLERRR C39H74N16O10 926.5774 NA PeJP NA NA +PJ084325 SPLLLKKE C43H78N10O12 926.5801 NA PeJP NA NA +PJ084326 ALLLRRW C44H74N14O8 926.5814 NA PeJP NA NA +PJ084327 PPVLLLLY C48H78N8O10 926.5841 NA PeJP NA NA +PJ084328 KKKKKMH C41H78N14O8S 926.5848 NA PeJP NA NA +PJ084329 SPKKRRR C38H74N18O9 926.5887 NA PeJP NA NA +PJ084330 AVVLLKER C42H78N12O11 926.5913 NA PeJP NA NA +PJ084331 GVLLLKER C42H78N12O11 926.5914 NA PeJP NA NA +PJ084332 AALLLLKW C47H78N10O9 926.5954 NA PeJP NA NA +PJ084333 PVVLLKKM C44H82N10O9S 926.5987 NA PeJP NA NA +PJ084334 GVKRRRR C37H74N20O8 926.5999 NA PeJP NA NA +PJ084335 LLLKERR C41H78N14O10 926.6026 NA PeJP NA NA +PJ084336 TLLLLLLE C45H82N8O12 926.6053 NA PeJP NA NA +PJ084337 VLLLKRW C46H78N12O8 926.6066 NA PeJP NA NA +PJ084338 KRRRRR C36H74N22O7 926.6111 NA PeJP NA NA +PJ084339 TLLLRRR C40H78N16O9 926.6138 NA PeJP NA NA +PJ084340 ALLLLKKE C44H82N10O11 926.6165 NA PeJP NA NA +PJ084341 PVLLLLLF C49H82N8O9 926.6205 NA PeJP NA NA +PJ084342 VLLLLLLM C46H86N8O9S 926.6239 NA PeJP NA NA +PJ084343 ALKKRRR C39H78N18O8 926.6251 NA PeJP NA NA +PJ084344 ATLLLLKR C43H82N12O10 926.6277 NA PeJP NA NA +C04574 di-trans,poly-cis-Undecaprenyl diphosphate C55H92O7P2 926.6318 NA KEGG NA NA +MJ097931 Undecaprenyl diphosphate C55H92O7P2 926.631828 NA MeJP NA NA +MetaCyc04322 undecaprenyl diphosphate [undecaprenyl-PP;bactoprenyl pyrophosphate;undecaprenyl pyrophosphate;UPP;di-trans,poly-cis-undecaprenyl diphosphate;] C55H92O7P2 926.631828 NA metacyc NA NA +MetaCyc04323 di-trans,poly-cis-undecaprenyl diphosphate [di-trans-poly-cis-undecaprenyl diphosphate;] C55H92O7P2 926.631828 NA metacyc NA NA +HMDB01469 Undecaprenyl diphosphate C55H92O7P2 926.631836 NA HMDB2010 NA NA +HMDB01469 Undecaprenyl diphosphate C55H92O7P2 926.63184 http://www.hmdb.ca/metabolites/HMDB01469 HMDB NA NA +HMDB01469 Undecaprenyl diphosphate C55H92O7P2 926.63184 HMDB01469 PFEM_hmdb_metabocards_official NA NA +PJ084345 AALLKKKR C42H82N14O9 926.639 NA PeJP NA NA +PJ084346 VLKKKRR C41H82N16O8 926.6502 NA PeJP NA NA +PJ084347 SLLLLLKK C45H86N10O10 926.6529 NA PeJP NA NA +MJ097932 Zeaxanthin; 3-O-[11-Methyldodecanoyl-(?6)-?-D-glucopyranoside] C59H90O8 926.663569 NA MeJP NA NA +C15956 Thermozeaxanthin-13 C59H90O8 926.6636 NA KEGG NA NA +PJ084348 GLLLKKKK C44H86N12O9 926.6641 NA PeJP NA NA +MJ097933 Trivernolin C57H98O9 926.721084 NA MeJP NA NA +HMDB05476 TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C61H98O6 926.736328 NA HMDB2010 NA NA +HMDB10496 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] C61H98O6 926.736328 NA HMDB2010 NA NA +HMDB10506 TG(18:3(9Z,12Z,15Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C61H98O6 926.736328 NA HMDB2010 NA NA +HMDB10509 TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C61H98O6 926.736328 NA HMDB2010 NA NA +HMDB10520 TG(20:4(5Z,8Z,11Z,14Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C61H98O6 926.736328 NA HMDB2010 NA NA +HMDB10524 TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3] C61H98O6 926.736328 NA HMDB2010 NA NA +HMDB05476 TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C61H98O6 926.73633 http://www.hmdb.ca/metabolites/HMDB05476 HMDB NA NA +HMDB05476 TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C61H98O6 926.73633 HMDB05476 PFEM_hmdb_metabocards_official NA NA +8231 Antioxidative peptide PIAAEVYEHTEGSTTSY 926.907 MH2+ Inhouse_peptide NA peptide +3690 NA VRQWNLTEFVLDTHP 926.9629 MH2+ Inhouse_peptide NA peptide +2595 tachylepsin III from homocytes of horse shoe crab KWCFRVCYRGICYRRCR~ 927.0305 MH2+ Inhouse_peptide NA peptide +PJ084349 GCCCCCCCM C28H49N9O10S8 927.1369 NA PeJP NA NA +PJ084350 STCCCCCCC C28H49N9O12S7 927.1546 NA PeJP NA NA +PJ084351 CCCCCCQY C32H49N9O11S6 927.1876 NA PeJP NA NA +PJ084352 GPCCCCCCH C31H49N11O10S6 927.1989 NA PeJP NA NA +PJ084353 GSSCCCCCY C32H49N9O13S5 927.2054 NA PeJP NA NA +PJ084354 CCCCNDMH C31H49N11O12S5 927.2166 NA PeJP NA NA +PJ084355 CCNDDDDE C31H45N9O20S2 927.2223 NA PeJP NA NA +PJ084356 CCCCCCKY C33H53N9O10S6 927.224 NA PeJP NA NA +PJ084357 ACCCCCHW C35H49N11O9S5 927.2319 NA PeJP NA NA +PJ084358 GSSCCCCEH C31H49N11O14S4 927.2344 NA PeJP NA NA +PJ084359 GCCDDDDW C35H45N9O17S2 927.2375 NA PeJP NA NA +PJ084360 GCCCCNYY C36H49N9O12S4 927.2384 NA PeJP NA NA +PJ084361 GSSCDDDDD C31H45N9O22S 927.24 NA PeJP NA NA +PJ084362 GSPCCCDDE C32H49N9O17S3 927.2409 NA PeJP NA NA +PJ084363 GPPCCCCDM C33H53N9O12S5 927.2418 NA PeJP NA NA +PJ084364 SSCCCCHW C35H49N11O11S4 927.2496 NA PeJP NA NA +PJ084365 SSSSCCCDH C31H49N11O16S3 927.2521 NA PeJP NA NA +PJ084366 GGGGGGCCDDM C31H49N11O16S3 927.2522 NA PeJP NA NA +PJ084367 SCCCNMMH C32H53N11O11S5 927.253 NA PeJP NA NA +PJ084368 SPCCCDDW C36H49N9O14S3 927.2562 NA PeJP NA NA +PJ084369 SCCDDQEE C32H49N9O19S2 927.2586 NA PeJP NA NA +PJ084370 SCNDDDEM C32H49N9O19S2 927.2587 NA PeJP NA NA +PJ084371 PCCNDDMM C33H53N9O14S4 927.2595 NA PeJP NA NA +PJ084372 GSCCCNNNN C30H49N13O15S3 927.2634 NA PeJP NA NA +PJ084373 CCDMMYY C38H53N7O12S4 927.2635 NA PeJP NA NA +PJ084374 TCCCCCHR C31H53N13O10S5 927.2642 NA PeJP NA NA +PJ084375 GCCCNNEW C35H49N11O13S3 927.2674 NA PeJP NA NA +PJ084376 SCCDDDDR C31H49N11O18S2 927.2699 NA PeJP NA NA +PJ084377 PCCCCDER C32H53N11O13S4 927.2708 NA PeJP NA NA +PJ084378 GNDDDDDY C35H45N9O21 927.273 NA PeJP NA NA +PJ084379 GGGDDDDDY C35H45N9O21 927.2731 NA PeJP NA NA +PJ084380 GSCDDDMW C36H49N9O16S2 927.2739 NA PeJP NA NA +PJ084381 GPCCCEMW C37H53N9O11S4 927.2748 NA PeJP NA NA +PJ084382 GSSSDDDDM C32H49N9O21S 927.2764 NA PeJP NA NA +PJ084383 GNDDDMMM C33H53N9O16S3 927.2773 NA PeJP NA NA +PJ084384 CCDDFYY C41H49N7O14S2 927.2779 NA PeJP NA NA +PJ084385 APPTCCCCM C34H57N9O11S5 927.2781 NA PeJP NA NA +PJ084386 GSPPCCCMM C34H57N9O11S5 927.2782 NA PeJP NA NA +PJ084387 PCCCNDHH C34H49N13O12S3 927.2786 NA PeJP NA NA +PJ084388 CCMMMFY C39H57N7O9S5 927.2822 NA PeJP NA NA +PJ084389 CCCNNWW C39H49N11O10S3 927.2826 NA PeJP NA NA +PJ084390 GGGGCCCWW C39H49N11O10S3 927.2827 NA PeJP NA NA +PJ084391 SSCCNNDW C35H49N11O15S2 927.2851 NA PeJP NA NA +PJ084392 GGGGSSCCDW C35H49N11O15S2 927.2852 NA PeJP NA NA +PJ084393 GCCCQMHF C36H53N11O10S4 927.286 NA PeJP NA NA +PJ084394 SSSSCNNDD C31H49N11O20S 927.2876 NA PeJP NA NA +PJ084395 GGGGSSSSCDD C31H49N11O20S 927.2877 NA PeJP NA NA +PJ084396 GCCDDEMR C32H53N11O15S3 927.2885 NA PeJP NA NA +PJ084397 SCCDEWW C40H49N9O13S2 927.2892 NA PeJP NA NA +PJ084398 TCCCCKMH C33H57N11O10S5 927.2894 NA PeJP NA NA +PJ084399 PCCCMWW C41H53N9O8S4 927.29 NA PeJP NA NA +PJ084400 SSSCDDEW C36H49N9O18S 927.2917 NA PeJP NA NA +PJ084401 CNDEMMW C37H53N9O13S3 927.2925 NA PeJP NA NA +PJ084402 SSSSSDDDE C32H49N9O23 927.2942 NA PeJP NA NA +PJ084403 SSNDDEMM C33H53N9O18S2 927.295 NA PeJP NA NA +PJ084404 SCDDYYY C41H49N7O16S 927.2957 NA PeJP NA NA +PJ084405 SPCNDMMM C34H57N9O13S4 927.2959 NA PeJP NA NA +PJ084406 GCNDDMHH C34H49N13O14S2 927.2964 NA PeJP NA NA +PJ084407 CCDMFFY C42H53N7O11S3 927.2966 NA PeJP NA NA +PJ084408 GCCCCHFR C35H53N13O9S4 927.2973 NA PeJP NA NA +PJ084409 DDEEEEY C37H49N7O21 927.2982 NA PeJP NA NA +PJ084410 SCCCNNER C31H53N13O14S3 927.2997 NA PeJP NA NA +PJ084411 GGSCCCNER C31H53N13O14S3 927.2998 NA PeJP NA NA +PJ084412 SCMMMYY C39H57N7O11S4 927.2999 NA PeJP NA NA +PJ084413 EEEEMMM C35H57N7O16S3 927.3024 NA PeJP NA NA +PJ084414 GCNNNDEY C35H49N11O17S 927.3029 NA PeJP NA NA +PJ084415 CCDDMRW C36H53N11O12S3 927.3038 NA PeJP NA NA +PJ084416 SSCDDDMR C32H53N11O17S2 927.3063 NA PeJP NA NA +PJ084417 CNDDEFW C40H49N9O15S 927.3069 NA PeJP NA NA +PJ084418 SPCCCEMR C33H57N11O12S4 927.3071 NA PeJP NA NA +PJ084419 GGGGGCQMMM C33H57N11O12S4 927.3072 NA PeJP NA NA +PJ084420 SCCNNNHH C33H49N15O13S2 927.3076 NA PeJP NA NA +PJ084421 GCDMMWW C41H53N9O10S3 927.3078 NA PeJP NA NA +PJ084422 GSNDDEEY C36H49N9O20 927.3094 NA PeJP NA NA +PJ084423 GSSDDMMW C37H53N9O15S2 927.3103 NA PeJP NA NA +PJ084424 GPTCCMMW C38H57N9O10S4 927.3112 NA PeJP NA NA +PJ084425 CCNEHHW C38H49N13O11S2 927.3116 NA PeJP NA NA +PJ084426 GSSSSDEEM C33H53N9O20S 927.3128 NA PeJP NA NA +PJ084427 GSNEEMMM C34H57N9O15S3 927.3137 NA PeJP NA NA +PJ084428 SSCNDEHH C34H49N13O16S 927.3141 NA PeJP NA NA +PJ084429 GGGGPCNDDH C34H49N13O16S 927.3142 NA PeJP NA NA +PJ084430 GCEMYYY C42H53N7O13S2 927.3143 NA PeJP NA NA +PJ084431 GPCQMMMM C35H61N9O10S5 927.3145 NA PeJP NA NA +PJ084432 GSCCCNRW C35H53N13O11S3 927.315 NA PeJP NA NA +PJ084433 CCMMFFF C43H57N7O8S4 927.3152 NA PeJP NA NA +PJ084434 DEEEEMF C38H53N7O18S 927.3168 NA PeJP NA NA +PJ084435 GSSSCCNDR C31H53N13O16S2 927.3175 NA PeJP NA NA +PJ084436 CNNNDYW C39H49N11O14S 927.3181 NA PeJP NA NA +PJ084437 GGCNNDYW C39H49N11O14S 927.3182 NA PeJP NA NA +PJ084438 GCCNNMMR C32H57N13O11S4 927.3184 NA PeJP NA NA +PJ084439 SSNNNDDY C35H49N11O19 927.3206 NA PeJP NA NA +PJ084440 GGSSNNDDY C35H49N11O19 927.3207 NA PeJP NA NA +PJ084441 SSSCNNMW C36H53N11O14S2 927.3215 NA PeJP NA NA +PJ084442 GGGGGGGCEMF C36H53N11O14S2 927.3216 NA PeJP NA NA +PJ084443 GCDDFWW C44H49N9O12S 927.3222 NA PeJP NA NA +PJ084444 PPCCCCFR C37H57N11O9S4 927.3224 NA PeJP NA NA +PJ084445 SSSSSNNDM C32H53N11O19S 927.324 NA PeJP NA NA +PJ084446 SNDDEYW C40H49N9O17 927.3247 NA PeJP NA NA +PJ084447 GSCDEMMR C33H57N11O14S3 927.3249 NA PeJP NA NA +PJ084448 SSCEMWW C41H53N9O12S2 927.3255 NA PeJP NA NA +PJ084449 GGPCDMYW C41H53N9O12S2 927.3256 NA PeJP NA NA +PJ084450 GPCCMMMR C34H61N11O9S5 927.3258 NA PeJP NA NA +PJ084451 GCCHHWW C42H49N13O8S2 927.3269 NA PeJP NA NA +PJ084452 SSSSDEMW C37H53N9O17S 927.328 NA PeJP NA NA +PJ084453 GGNEEEMY C37H53N9O17S 927.3281 NA PeJP NA NA +PJ084454 SNEMMMW C38H57N9O12S3 927.3289 NA PeJP NA NA +PJ084455 GSSCDHHW C38H49N13O13S 927.3294 NA PeJP NA NA +PJ084456 CMYYYW C46H53N7O10S2 927.3296 NA PeJP NA NA +PJ084457 SSSSSSEEE C33H53N9O22 927.3305 NA PeJP NA NA +PJ084458 SSSQEEMM C34H57N9O17S2 927.3314 NA PeJP NA NA +PJ084459 GSSSSDDHH C34H49N13O18 927.3319 NA PeJP NA NA +PJ084460 SSDMYYY C42H53N7O15S 927.3321 NA PeJP NA NA +PJ084461 QQEMMMM C35H61N9O12S4 927.3323 NA PeJP NA NA +PJ084462 GCCNNDFR C35H53N13O13S2 927.3328 NA PeJP NA NA +PJ084463 ACMMFYY C43H57N7O10S3 927.3329 NA PeJP NA NA +PJ084464 TEEEEEY C38H53N7O20 927.3346 NA PeJP NA NA +PJ084465 PEEEMMY C39H57N7O15S2 927.3354 NA PeJP NA NA +PJ084466 GSPDDDHW C39H49N11O16 927.3359 NA PeJP NA NA +PJ084467 SSCCNQMR C32H57N13O13S3 927.3361 NA PeJP NA NA +PJ084468 CNNNMFW C40H53N11O11S2 927.3368 NA PeJP NA NA +PJ084469 GSSSSSCQW C36H53N11O16S 927.3393 NA PeJP NA NA +PJ084470 GSDDYWW C44H49N9O14 927.3399 NA PeJP NA NA +PJ084471 SCDMMRW C37H57N11O11S3 927.3401 NA PeJP NA NA +PJ084472 TCCEMRW C37H57N11O11S3 927.3402 NA PeJP NA NA +PJ084473 DDMHHHH C37H49N15O12S 927.3406 NA PeJP NA NA +PJ084474 APCCYWW C45H53N9O9S2 927.3408 NA PeJP NA NA +PJ084475 GSSSSSSSNE C32H53N11O21 927.3418 NA PeJP NA NA +PJ084476 GSSSSNQMM C33H57N11O16S2 927.3426 NA PeJP NA NA +PJ084477 SSSDDMMR C33H57N11O16S2 927.3427 NA PeJP NA NA +PJ084478 SNNNNNDH C33H49N15O17 927.3431 NA PeJP NA NA +PJ084479 GGGGGGGGSNDH C33H49N15O17 927.3432 NA PeJP NA NA +PJ084480 GNEEMYW C41H53N9O14S 927.3433 NA PeJP NA NA +PJ084481 NDMMMMR C34H61N11O11S4 927.3435 NA PeJP NA NA +PJ084482 GSCCEHHR C34H53N15O12S2 927.344 NA PeJP NA NA +PJ084483 GSMMMWW C42H57N9O9S3 927.3442 NA PeJP NA NA +PJ084484 GSSQEEEY C37H53N9O19 927.3458 NA PeJP NA NA +PJ084485 GSSTEMMW C38H57N9O14S2 927.3467 NA PeJP NA NA +PJ084486 NNNDEHW C38H49N13O15 927.3471 NA PeJP NA NA +PJ084487 GGNNDEHW C38H49N13O15 927.3472 NA PeJP NA NA +PJ084488 GPCYYYY C46H53N7O12S 927.3473 NA PeJP NA NA +PJ084489 SSCCCNRR C31H57N15O12S3 927.3474 NA PeJP NA NA +PJ084490 AQMMMMW C39H61N9O9S4 927.3475 NA PeJP NA NA +PJ084491 GAAMMMMW C39H61N9O9S4 927.3476 NA PeJP NA NA +PJ084492 SCQMHHW C39H53N13O10S2 927.348 NA PeJP NA NA +PJ084493 GSSSTTEEM C34H57N9O19S 927.3492 NA PeJP NA NA +PJ084494 PDEEEFY C42H53N7O17 927.3498 NA PeJP NA NA +PJ084495 GTTQEMMM C35H61N9O14S3 927.35 NA PeJP NA NA +PJ084496 GSDKEMMM C35H61N9O14S3 927.3501 NA PeJP NA NA +PJ084497 GSCNNDRY C35H53N13O15S 927.3505 NA PeJP NA NA +PJ084498 GTMMYYY C43H57N7O12S2 927.3507 NA PeJP NA NA +PJ084499 GPCKMMMM C36H65N9O9S5 927.3509 NA PeJP NA NA +PJ084500 NQMMMHH C36H57N13O10S3 927.3514 NA PeJP NA NA +PJ084501 GSCNHHHH C36H49N17O11S 927.3519 NA PeJP NA NA +PJ084502 PPCCHWW C44H53N11O8S2 927.352 NA PeJP NA NA +PJ084503 VEEEEMY C39H57N7O17S 927.3532 NA PeJP NA NA +PJ084504 GSSSSCNMR C32H57N13O15S2 927.3539 NA PeJP NA NA +PJ084505 GCDERYW C40H53N11O13S 927.3545 NA PeJP NA NA +PJ084506 GGGGGGSMYW C40H53N11O13S 927.3546 NA PeJP NA NA +PJ084507 CCEMMRR C33H61N13O10S4 927.3548 NA PeJP NA NA +PJ084508 SSSSSSSNW C36H53N11O18 927.357 NA PeJP NA NA +MJ097934 Alterobactin A C36H53N11O18 927.357003 NA MeJP NA NA +PJ084509 GGGGGGSSTEY C36H53N11O18 927.3571 NA PeJP NA NA +PJ084510 SSSCCQKW C37H57N11O13S2 927.3579 NA PeJP NA NA +PJ084511 GPNDDHHH C37H49N15O14 927.3584 NA PeJP NA NA +MJ097935 Cyclo[L-?-aspartyl-2-(2-thienyl)glycyl-L-leucyl-D-tryptophyl-D-?-aspartyl-?-amino-?-oxo-4-phenyl-1-piperazinebutanoyl] C45H53N9O11S 927.358524 NA MeJP NA NA +PJ084512 NEMYWW C45H53N9O11S 927.3586 NA PeJP NA NA +PJ084513 ACMMMRW C38H61N11O8S4 927.3588 NA PeJP NA NA +PJ084514 SCCHHRW C38H53N15O9S2 927.3592 NA PeJP NA NA +PJ084515 SSSSSSQQM C33H57N11O18S 927.3604 NA PeJP NA NA +PJ084516 SSQEEYW C41H53N9O16 927.361 NA PeJP NA NA +PJ084517 GGSTEEYW C41H53N9O16 927.3611 NA PeJP NA NA +PJ084518 GSSEMMMR C34H61N11O13S3 927.3613 NA PeJP NA NA +PJ084519 GNNNNQMH C34H53N15O14S 927.3617 NA PeJP NA NA +PJ084520 SSSCDHHR C34H53N15O14S 927.3618 NA PeJP NA NA +PJ084521 SSTMMWW C42H57N9O11S2 927.3619 NA PeJP NA NA +PJ084522 GNNDHWW C42H49N13O12 927.3624 NA PeJP NA NA +PJ084523 CFFYYW C50H53N7O9S 927.3626 NA PeJP NA NA +PJ084524 SSSTTEMW C38H57N9O16S 927.3644 NA PeJP NA NA +PJ084525 GGPPPDEEM C38H57N9O16S 927.3645 NA PeJP NA NA +PJ084526 QEYYYY C46H53N7O14 927.3651 NA PeJP NA NA +PJ084527 SDKMMMW C39H61N9O11S3 927.3653 NA PeJP NA NA +PJ084528 PCDDHRW C39H53N13O12S 927.3658 NA PeJP NA NA +PJ084529 ACMFFFY C47H57N7O9S2 927.3659 NA PeJP NA NA +PJ084530 GCCCCKRR C32H61N15O9S4 927.366 NA PeJP NA NA +PJ084531 SSSSTTTEE C34H57N9O21 927.3669 NA PeJP NA NA +PJ084532 SSSKEEMM C35H61N9O16S2 927.3678 NA PeJP NA NA +PJ084533 NDEEEHR C35H53N13O17 927.3683 NA PeJP NA NA +PJ084534 STTMYYY C43H57N7O14S 927.3684 NA PeJP NA NA +PJ084535 PPEEMYY C43H57N7O14S 927.3685 NA PeJP NA NA +PJ084536 QKEMMMM C36H65N9O11S4 927.3687 NA PeJP NA NA +PJ084537 CNNQMRY C36H57N13O12S2 927.3691 NA PeJP NA NA +PJ084538 GGGGCQMRY C36H57N13O12S2 927.3692 NA PeJP NA NA +PJ084539 CDRYWW C44H53N11O10S 927.3698 NA PeJP NA NA +PJ084540 SSSSSSCQR C32H57N13O17S 927.3716 NA PeJP NA NA +PJ084541 LEEEMMF C40H61N7O14S2 927.3718 NA PeJP NA NA +PJ084542 SSDDRYW C40H53N11O15 927.3723 NA PeJP NA NA +PJ084543 SSCCNKMR C33H61N13O12S3 927.3725 NA PeJP NA NA +PJ084544 GCNNNNHR C33H53N17O13S 927.373 NA PeJP NA NA +PJ084545 PTCCRYW C41H57N11O10S2 927.3732 NA PeJP NA NA +PJ084546 GMYWWW C49H53N9O8S 927.3738 NA PeJP NA NA +PJ084547 GSSSSSCKW C37H57N11O15S 927.3757 NA PeJP NA NA +PJ084548 GSTEYWW C45H53N9O13 927.3763 NA PeJP NA NA +PJ084549 SSMMMRW C38H61N11O10S3 927.3765 NA PeJP NA NA +PJ084550 GGAPPMMMH C38H61N11O10S3 927.3766 NA PeJP NA NA +PJ084551 CNDHHFR C38H53N15O11S 927.377 NA PeJP NA NA +PJ084552 QMMFWW C46H57N9O8S2 927.3772 NA PeJP NA NA +PJ084553 GSSSSSSSDK C33H57N11O20 927.3782 NA PeJP NA NA +PJ084554 SSSTEMMR C34H61N11O15S2 927.379 NA PeJP NA NA +PJ084555 DDDDHRR C34H53N15O16 927.3795 NA PeJP NA NA +PJ084556 GGGGGGGGGGGGPQ C34H53N15O16 927.3796 NA PeJP NA NA +PJ084557 GDKEMYW C42H57N9O13S 927.3797 NA PeJP NA NA +PJ084558 TQMMMMR C35H65N11O10S4 927.3799 NA PeJP NA NA +PJ084559 AYYYYW C50H53N7O11 927.3803 NA PeJP NA NA +PJ084560 CCNNRRY C35H57N15O11S2 927.3804 NA PeJP NA NA +PJ084561 CLMMHFF C43H61N9O8S3 927.3806 NA PeJP NA NA +PJ084562 GNMHHFW C43H53N13O9S 927.381 NA PeJP NA NA +PJ084563 GSSKEEEY C38H57N9O18 927.3822 NA PeJP NA NA +PJ084564 SSSSLMMW C39H61N9O13S2 927.3831 NA PeJP NA NA +PJ084565 GDEEHRW C39H53N13O14 927.3835 NA PeJP NA NA +PJ084566 GGGGGATEHW C39H53N13O14 927.3836 NA PeJP NA NA +PJ084567 AAMFYYY C47H57N7O11S 927.3837 NA PeJP NA NA +PJ084568 AKMMMMW C40H65N9O8S4 927.3839 NA PeJP NA NA +PJ084569 SCKMHHW C40H57N13O9S2 927.3844 NA PeJP NA NA +PJ084570 SSSSSTLEM C35H61N9O18S 927.3855 NA PeJP NA NA +PJ084571 GSTTTTTEM C35H61N9O18S 927.3856 NA PeJP NA NA +PJ084572 PVEEEYY C43H57N7O16 927.3862 NA PeJP NA NA +PJ084573 GTTKEMMM C36H65N9O13S3 927.3864 NA PeJP NA NA +PJ084574 SCDERRY C36H57N13O14S 927.3869 NA PeJP NA NA +PJ084575 GNNQFYW C44H53N11O12 927.3875 NA PeJP NA NA +PJ084576 AAEEHWW C44H53N11O12 927.3876 NA PeJP NA NA +PJ084577 PCCMRRY C37H61N13O9S3 927.3878 NA PeJP NA NA +PJ084578 CMFRWW C45H57N11O7S2 927.3884 NA PeJP NA NA +PJ084579 GSSSSSSSSR C32H57N13O19 927.3894 NA PeJP NA NA +PJ084580 GSSSTCCKR C33H61N13O14S2 927.3903 NA PeJP NA NA +PJ084581 GSEMRYW C41H57N11O12S 927.3909 NA PeJP NA NA +PJ084582 GGGGGGAAMFF C41H57N11O12S 927.391 NA PeJP NA NA +PJ084583 TCMMMRR C34H65N13O9S4 927.3911 NA PeJP NA NA +PJ084584 GCCCKKMR C34H65N13O9S4 927.3912 NA PeJP NA NA +PJ084585 STYWWW C49H53N9O10 927.3916 NA PeJP NA NA +PJ084586 GSSTEERY C37H57N11O17 927.3934 NA PeJP NA NA +PJ084587 GGGGGAPPTEE C37H57N11O17 927.3935 NA PeJP NA NA +PJ084588 SSSCCKKW C38H61N11O12S2 927.3943 NA PeJP NA NA +PJ084589 SNNDHRW C38H53N15O13 927.3948 NA PeJP NA NA +PJ084590 DKMYWW C46H57N9O10S 927.3949 NA PeJP NA NA +PJ084591 PPPDMWW C46H57N9O10S 927.395 NA PeJP NA NA +PJ084592 VMMHHHH C39H57N15O8S2 927.3956 NA PeJP NA NA +PJ084593 SHHHHHH C39H49N19O9 927.3961 NA PeJP NA NA +PJ084594 SSSSSSQKM C34H61N11O17S 927.3968 NA PeJP NA NA +PJ084595 SSKEEYW C42H57N9O15 927.3974 NA PeJP NA NA +PJ084596 AAPPEEEW C42H57N9O15 927.3975 NA PeJP NA NA +PJ084597 GTTTMMMR C35H65N11O12S3 927.3977 NA PeJP NA NA +PJ084598 SSSSMHHR C35H57N15O13S 927.3981 NA PeJP NA NA +PJ084599 GGGGQEMHR C35H57N15O13S 927.3982 NA PeJP NA NA +PJ084600 GLQMMYW C43H61N9O10S2 927.3983 NA PeJP NA NA +PJ084601 DEHRWW C43H53N13O11 927.3988 NA PeJP NA NA +PJ084602 ACFFFFF C51H57N7O8S 927.399 NA PeJP NA NA +PJ084603 STTTTTMW C39H61N9O15S 927.4008 NA PeJP NA NA +PJ084604 KEYYYY C47H57N7O13 927.4015 NA PeJP NA NA +PJ084605 TTKMMMW C40H65N9O10S3 927.4017 NA PeJP NA NA +PJ084606 AQQQMHW C40H57N13O11S 927.4021 NA PeJP NA NA +PJ084607 SPDMHRW C40H57N13O11S 927.4022 NA PeJP NA NA +PJ084608 VDHWWW C48H53N11O9 927.4028 NA PeJP NA NA +PJ084609 SSTTTTTTE C35H61N9O20 927.4033 NA PeJP NA NA +PJ084610 STTTKEMM C36H65N9O15S2 927.4042 NA PeJP NA NA +PJ084611 SSSSNQRY C36H57N13O16 927.4046 NA PeJP NA NA +PJ084612 GGSSSSQRY C36H57N13O16 927.4047 NA PeJP NA NA +PJ084613 PLEEMFY C44H61N7O13S 927.4048 NA PeJP NA NA +PJ084614 KKEMMMM C37H69N9O10S4 927.4051 NA PeJP NA NA +PJ084615 GDMMRRY C37H61N13O11S2 927.4055 NA PeJP NA NA +PJ084616 GGGGPPPCMR C37H61N13O11S2 927.4056 NA PeJP NA NA +PJ084617 NQQQHHH C37H53N17O12 927.406 NA PeJP NA NA +PJ084618 SMRYWW C45H57N11O9S 927.4062 NA PeJP NA NA +PJ084619 GFFWWW C53H53N9O7 927.4068 NA PeJP NA NA +PJ084620 SSSSSSCKR C33H61N13O16S 927.408 NA PeJP NA NA +PJ084621 LLEEMMY C41H65N7O13S2 927.4082 NA PeJP NA NA +PJ084622 SSTERYW C41H57N11O14 927.4087 NA PeJP NA NA +PJ084623 STCCCKKR C34H65N13O11S3 927.4089 NA PeJP NA NA +PJ084624 CNNEHRR C34H57N17O12S 927.4094 NA PeJP NA NA +PJ084625 AVCMRYW C42H61N11O9S2 927.4095 NA PeJP NA NA +PJ084626 AAMMRYW C42H61N11O9S2 927.4096 NA PeJP NA NA +PJ084627 SPQHHHW C42H53N15O10 927.41 NA PeJP NA NA +PJ084628 TTQEMRY C38H61N11O14S 927.412 NA PeJP NA NA +PJ084629 SDKEMRY C38H61N11O14S 927.4121 NA PeJP NA NA +PJ084630 SSSLYWW C46H57N9O12 927.4127 NA PeJP NA NA +PJ084631 PCKMMRY C39H65N11O9S3 927.4129 NA PeJP NA NA +PJ084632 GNQMHRW C39H57N15O10S 927.4134 NA PeJP NA NA +PJ084633 KMMFWW C47H61N9O7S2 927.4136 NA PeJP NA NA +PJ084634 GHHHFFF C47H53N13O8 927.4141 NA PeJP NA NA +PJ084635 GSSSSSSTTK C34H61N11O19 927.4145 NA PeJP NA NA +PJ084636 STTTTMMR C35H65N11O14S2 927.4154 NA PeJP NA NA +PJ084637 SDEEHRR C35H57N15O15 927.4159 NA PeJP NA NA +PJ084638 ATKEMYW C43H61N9O12S 927.4161 NA PeJP NA NA +PJ084639 TKMMMMR C36H69N11O9S4 927.4163 NA PeJP NA NA +PJ084640 AAFFFYY C51H57N7O10 927.4167 NA PeJP NA NA +PJ084641 PCEMHRR C36H61N15O10S2 927.4168 NA PeJP NA NA +PJ084642 NNNHHHR C36H53N19O11 927.4172 NA PeJP NA NA +PJ084643 GGGGNHHHR C36H53N19O11 927.4173 NA PeJP NA NA +PJ084644 ACKHHFW C44H57N13O8S 927.4174 NA PeJP NA NA +PJ084645 GTTTKEEY C39H61N9O17 927.4186 NA PeJP NA NA +PJ084646 VQKEMMY C40H65N9O12S2 927.4194 NA PeJP NA NA +PJ084647 GGLKEMMY C40H65N9O12S2 927.4195 NA PeJP NA NA +PJ084648 ATEEHRW C40H57N13O13 927.4199 NA PeJP NA NA +PJ084649 GGGGGGGGGPLW C40H57N13O13 927.42 NA PeJP NA NA +PJ084650 APMMHRW C41H61N13O8S2 927.4208 NA PeJP NA NA +PJ084651 SSSTTTTLM C36H65N9O17S 927.4219 NA PeJP NA NA +PJ084652 VLEEEFY C44H61N7O15 927.4226 NA PeJP NA NA +PJ084653 SSTLKMMM C37H69N9O12S3 927.4228 NA PeJP NA NA +PJ084654 SSEMRRY C37H61N13O13S 927.4233 NA PeJP NA NA +PJ084655 GTLEHWW C45H57N11O11 927.4239 NA PeJP NA NA +PJ084656 GGAASPPWW C45H57N11O11 927.424 NA PeJP NA NA +PJ084657 GMMMFRR C38H65N13O8S3 927.4242 NA PeJP NA NA +PJ084658 GCNHRRW C38H57N17O9S 927.4246 NA PeJP NA NA +PJ084659 GSSNDHRR C34H57N17O14 927.4271 NA PeJP NA NA +PJ084660 ATTMRYW C42H61N11O11S 927.4273 NA PeJP NA NA +PJ084661 VQFYWW C50H57N9O9 927.428 NA PeJP NA NA +PJ084662 SSSSLERY C38H61N11O16 927.4298 NA PeJP NA NA +PJ084663 AKEMMRY C39H65N11O11S2 927.4307 NA PeJP NA NA +PJ084664 SSQQHRW C39H57N15O12 927.4311 NA PeJP NA NA +PJ084665 GGSTQHRW C39H57N15O12 927.4312 NA PeJP NA NA +PJ084666 GPKMFYW C47H61N9O9S 927.4313 NA PeJP NA NA +MJ097936 Liposidomycin; Liposidomycin Y-I, 8,9-Dihydro, desulfo C42H65N5O18 927.43246 NA MeJP NA NA +PJ084667 SSSSSSKKM C35H65N11O16S 927.4332 NA PeJP NA NA +PJ084668 TTTKEYW C43H61N9O14 927.4338 NA PeJP NA NA +PJ084669 GGPPPLDEF C43H61N9O14 927.4339 NA PeJP NA NA +PJ084670 STCCKKKM C36H69N11O11S3 927.4341 NA PeJP NA NA +PJ084671 AEEMHRR C36H61N15O12S 927.4345 NA PeJP NA NA +PJ084672 GGGGGGACKKH C36H61N15O12S 927.4346 NA PeJP NA NA +PJ084673 GLKMMYW C44H65N9O9S2 927.4347 NA PeJP NA NA +PJ084674 GSQKHWW C44H57N13O10 927.4352 NA PeJP NA NA +PJ084675 TKKEEMY C40H65N9O14S 927.4372 NA PeJP NA NA +PJ084676 PPLEFYY C48H61N7O12 927.4379 NA PeJP NA NA +PJ084677 PKKMMMY C41H69N9O9S3 927.4381 NA PeJP NA NA +PJ084678 AVEMHRW C41H61N13O10S 927.4385 NA PeJP NA NA +PJ084679 GLEMHRW C41H61N13O10S 927.4386 NA PeJP NA NA +PJ084680 TLHWWW C49H57N11O8 927.4392 NA PeJP NA NA +PJ084681 TTTTTTTTT C36H65N9O19 927.4397 NA PeJP NA NA +PJ084682 SSSSNKRY C37H61N13O15 927.441 NA PeJP NA NA +PJ084683 GSTLEEHR C37H61N13O15 927.4411 NA PeJP NA NA +PJ084684 PLLEMYY C45H65N7O12S 927.4412 NA PeJP NA NA +PJ084685 ATMMRRY C38H65N13O10S2 927.4419 NA PeJP NA NA +PJ084686 VNEHHHR C38H57N17O11 927.4424 NA PeJP NA NA +PJ084687 GVLMHWW C46H61N11O8S 927.4426 NA PeJP NA NA +PJ084688 TTTTRYW C42H61N11O13 927.4451 NA PeJP NA NA +PJ084689 SNQMHRR C35H61N17O11S 927.4457 NA PeJP NA NA +PJ084690 GGSQMHRR C35H61N17O11S 927.4458 NA PeJP NA NA +PJ084691 PVKMMHW C43H65N11O8S2 927.4459 NA PeJP NA NA +PJ084692 SPKHHHW C43H57N15O9 927.4464 NA PeJP NA NA +PJ084693 TTKEMRY C39H65N11O13S 927.4484 NA PeJP NA NA +PJ084694 GPPLEEMR C39H65N11O13S 927.4485 NA PeJP NA NA +PJ084695 PPTLEWW C47H61N9O11 927.4491 NA PeJP NA NA +PJ084696 CLKMMFR C40H69N11O8S3 927.4493 NA PeJP NA NA +PJ084697 PPCNRRW C40H61N15O9S 927.4498 NA PeJP NA NA +PJ084698 PHFRWW C48H57N13O7 927.4504 NA PeJP NA NA +PJ084699 TTEEHRR C36H61N15O14 927.4523 NA PeJP NA NA +PJ084700 STLKMYW C44H65N9O11S 927.4524 NA PeJP NA NA +PJ084701 VTTKMYW C44H65N9O11S 927.4525 NA PeJP NA NA +PJ084702 PTMMHRR C37H65N15O9S2 927.4532 NA PeJP NA NA +PJ084703 GEHHHRR C37H57N19O10 927.4536 NA PeJP NA NA +PJ084704 LMHRWW C45H61N13O7S 927.4538 NA PeJP NA NA +PJ084705 TTTTTLQY C40H65N9O16 927.4549 NA PeJP NA NA +PJ084706 SSTTLKEY C40H65N9O16 927.455 NA PeJP NA NA +PJ084707 VKKEMMY C41H69N9O11S2 927.4558 NA PeJP NA NA +PJ084708 STLEHRW C41H61N13O12 927.4563 NA PeJP NA NA +PJ084709 SCNHRRR C34H61N19O10S 927.457 NA PeJP NA NA +PJ084710 GVHHHRW C42H57N17O8 927.4577 NA PeJP NA NA +PJ084711 VLLEEYY C45H65N7O14 927.459 NA PeJP NA NA +PJ084712 TTTMRRY C38H65N13O12S 927.4597 NA PeJP NA NA +PJ084713 SSLLHWW C46H61N11O10 927.4603 NA PeJP NA NA +PJ084714 PNDDRRR C35H61N17O13 927.4635 NA PeJP NA NA +PJ084715 PPLEMRW C43H65N11O10S 927.4637 NA PeJP NA NA +PJ084716 VKFYWW C51H61N9O8 927.4643 NA PeJP NA NA +PJ084717 PPPVFWW C51H61N9O8 927.4644 NA PeJP NA NA +PJ084718 SSTTTLRY C39H65N11O15 927.4662 NA PeJP NA NA +PJ084719 SLKMMRY C40H69N11O10S2 927.4671 NA PeJP NA NA +PJ084720 GPQERRW C40H61N15O11 927.4675 NA PeJP NA NA +PJ084721 GGAPERRW C40H61N15O11 927.4676 NA PeJP NA NA +PJ084722 PPVLMWW C48H65N9O8S 927.4677 NA PeJP NA NA +8233 Antioxidative peptide AGWNIPIGT 927.4679 NA ;SYN:(2S,3R)-(-)-Threonine; (2S,3R)-2-Amino-3-hydroxybutyrate; (2S,3R)-2-Amino-3-hydroxybutyric acid; (R-(R*,S*))-2-Amino-3-hydroxybutanoate; (R-(R*,S*))-2-Amino-3-hydroxybutanoic acid; (S)-Threonine; 2-Amino-3-hydroxybutanoate; 2-Amino-3-hydroxybutanoic acid; 2-Amino-3-hydroxybutyrate; 2-Amino-3-hydroxybutyric acid; L-(-)-Threonine; L-2-Amino-3-hydroxybutyrate; L-2-Amino-3-hydroxybutyric acid; L-alpha-Amino-beta-hydroxybutyrate; L-alpha-Amino-beta-hydroxybutyric acid; Threonin; Threonine; [R-(R*,S*)]-2-Amino-3-hydroxybutanoate; [R-(R*,S*)]-2-Amino-3-hydroxybutanoic acid; [R-(R*,S*)]-2-amino-3-hydroxy-Butanoate; [R-(R*,S*)]-2-amino-3-hydroxy-Butanoic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +PJ084723 HHHRRW C41H57N19O7 927.4689 NA PeJP NA NA +PJ084724 AAPLLEEW C44H65N9O13 927.4702 NA PeJP NA NA +PJ084725 SLEMHRR C37H65N15O11S 927.4709 NA PeJP NA NA +PJ084726 PKKMMFF C45H69N9O8S2 927.4711 NA PeJP NA NA +PJ084727 GPVQRWW C45H61N13O9 927.4716 NA PeJP NA NA +PJ084728 SSSLLKMY C41H69N9O13S 927.4736 NA PeJP NA NA +PJ084729 PPLLYYY C49H65N7O11 927.4742 NA PeJP NA NA +PJ084730 LKKMMMF C42H73N9O8S3 927.4745 NA PeJP NA NA +PJ084731 SVLMHRW C42H65N13O9S 927.4749 NA PeJP NA NA +PJ084732 PLEEERR C38H65N13O14 927.4774 NA PeJP NA NA +PJ084733 GGGPLDKER C38H65N13O14 927.4775 NA PeJP NA NA +PJ084734 LLLEMFY C46H69N7O11S 927.4776 NA PeJP NA NA +PJ084735 CCKKKRY C39H69N13O9S2 927.4783 NA PeJP NA NA +PJ084736 GQQHFRR C39H61N17O10 927.4788 NA PeJP NA NA +PJ084737 PLQQKEW C43H65N11O12 927.4814 NA PeJP NA NA +PJ084738 PVLEERW C43H65N11O12 927.4815 NA PeJP NA NA +PJ084739 SNKMHRR C36H65N17O10S 927.4821 NA PeJP NA NA +PJ084740 GSPPCRRR C36H65N17O10S 927.4822 NA PeJP NA NA +PJ084741 PQRRWW C44H61N15O8 927.4828 NA PeJP NA NA +MJ097937 Kabiramide C; 14-De-O-Me C47H69N5O14 927.484101 NA MeJP NA NA +PJ084742 GSSKKKMY C40H69N11O12S 927.4848 NA PeJP NA NA +PJ084743 GGGGGGPLLLM C40H69N11O12S 927.4849 NA PeJP NA NA +PJ084744 PVVLEWW C48H65N9O10 927.4855 NA PeJP NA NA +PJ084745 ACKKHRW C41H65N15O8S 927.4862 NA PeJP NA NA +PJ084746 PNKEERR C37H65N15O13 927.4887 NA PeJP NA NA +PJ084747 PVKKMYY C45H69N9O10S 927.4888 NA PeJP NA NA +PJ084748 APPTLLMW C45H69N9O10S 927.4889 NA PeJP NA NA +PJ084749 VVMMHRR C38H69N15O8S2 927.4895 NA PeJP NA NA +PJ084750 SVHHHRR C38H61N19O9 927.49 NA PeJP NA NA +PJ084751 TTTTTLKY C41H69N9O15 927.4913 NA PeJP NA NA +PJ084752 APLLKEEE C41H69N9O15 927.4914 NA PeJP NA NA +PJ084753 PPVLLQMM C42H73N9O10S2 927.4922 NA PeJP NA NA +PJ084754 PVNKERW C42H65N13O11 927.4927 NA PeJP NA NA +PJ084755 GTTLLMHR C39H69N13O11S 927.4961 NA PeJP NA NA +PJ084756 SPPKKWW C47H65N11O9 927.4967 NA PeJP NA NA +PJ084757 SPQERRR C36H65N17O12 927.4999 NA PeJP NA NA +PJ084758 TLLKMHW C44H69N11O9S 927.5001 NA PeJP NA NA +PJ084759 SSSTKKKY C40H69N11O14 927.5026 NA PeJP NA NA +PJ084760 CKKKKMY C41H73N11O9S2 927.5035 NA PeJP NA NA +PJ084761 GPKERRW C41H65N15O10 927.5039 NA PeJP NA NA +PJ084762 GPTLLLEW C45H69N9O12 927.5066 NA PeJP NA NA +PJ084763 GSPPKMRR C38H69N15O10S 927.5073 NA PeJP NA NA +PJ084764 AVLHFRW C46H65N13O8 927.5079 NA PeJP NA NA +PJ084765 GPVKRWW C46H65N13O8 927.508 NA PeJP NA NA +PJ084766 PPTLLKEM C42H73N9O12S 927.51 NA PeJP NA NA +PJ084767 PLLLFYY C50H69N7O10 927.5106 NA PeJP NA NA +PJ084768 GQQQRRR C35H65N19O11 927.5111 NA PeJP NA NA +PJ084769 GGGAAQRRR C35H65N19O11 927.5112 NA PeJP NA NA +PJ084770 AKKKMHW C43H69N13O8S 927.5113 NA PeJP NA NA +PJ084771 STTTLLHR C39H69N13O13 927.5138 NA PeJP NA NA +PJ084772 GGGGGGGGVLLK C39H69N13O13 927.5139 NA PeJP NA NA +PJ084773 LLLLMYY C47H73N7O10S 927.514 NA PeJP NA NA +PJ084774 LLKMMHR C40H73N13O8S2 927.5147 NA PeJP NA NA +PJ084775 GPTRRRW C40H65N17O9 927.5152 NA PeJP NA NA +PJ084776 PLQKKEW C44H69N11O11 927.5178 NA PeJP NA NA +PJ084777 GAPLKKEW C44H69N11O11 927.5179 NA PeJP NA NA +PJ084778 PVNMRRR C37H69N17O9S 927.5185 NA PeJP NA NA +PJ084779 PKRRWW C45H65N15O7 927.5192 NA PeJP NA NA +PJ084780 GPLLLEMR C41H73N11O11S 927.5212 NA PeJP NA NA +PJ084781 PTLLLWW C49H69N9O9 927.5219 NA PeJP NA NA +PJ084782 GNNRRRR C34H65N21O10 927.5224 NA PeJP NA NA +PJ084783 ASPTLQRR C38H69N15O12 927.525 NA PeJP NA NA +PJ084784 PDKKERR C38H69N15O12 927.5251 NA PeJP NA NA +PJ084785 GPVLLLMW C46H73N9O9S 927.5252 NA PeJP NA NA +PJ084786 SPLLLKEE C42H73N9O14 927.5277 NA PeJP NA NA +PJ084787 GAALLLLEE C42H73N9O14 927.5278 NA PeJP NA NA +PJ084788 PPVLLKMM C43H77N9O9S2 927.5286 NA PeJP NA NA +PJ084789 PVDKKRW C43H69N13O10 927.5291 NA PeJP NA NA +PJ084790 GPMRRRR C36H69N19O8S 927.5298 NA PeJP NA NA +PJ084791 APPTKKMR C40H73N13O10S 927.5325 NA PeJP NA NA +PJ084792 APLKKWW C48H69N11O8 927.5331 NA PeJP NA NA +PJ084793 SPKERRR C37H69N17O11 927.5363 NA PeJP NA NA +PJ084794 PLLLMRW C45H73N11O8S 927.5365 NA PeJP NA NA +PJ084795 GVLLLEER C41H73N11O13 927.539 NA PeJP NA NA +PJ084796 SPVKRRW C42H69N15O9 927.5403 NA PeJP NA NA +PJ084797 AALLLLEW C46H73N9O11 927.543 NA PeJP NA NA +PJ084798 PLQKMRR C39H73N15O9S 927.5437 NA PeJP NA NA +PJ084799 PVVLLKEM C43H77N9O11S 927.5464 NA PeJP NA NA +PJ084800 LLLLFFY C51H73N7O9 927.547 NA PeJP NA NA +PJ084801 GVERRRR C36H69N19O10 927.5475 NA PeJP NA NA +PJ084802 LLLEERR C40H73N13O12 927.5502 NA PeJP NA NA +PJ084803 GKKHFRR C41H69N17O8 927.5515 NA PeJP NA NA +PJ084804 AALRRRW C41H69N17O8 927.5516 NA PeJP NA NA +PJ084805 VLLLERW C45H73N11O10 927.5542 NA PeJP NA NA +PJ084806 PCLKRRR C38H73N17O8S 927.5549 NA PeJP NA NA +PJ084807 SPVLLLMR C42H77N11O10S 927.5576 NA PeJP NA NA +PJ084808 VVLLLWW C50H73N9O8 927.5582 NA PeJP NA NA +PJ084809 ERRRRR C35H69N21O9 927.5588 NA PeJP NA NA +PJ084810 VLQKERR C39H73N15O11 927.5614 NA PeJP NA NA +PJ084811 GGLLKERR C39H73N15O11 927.5615 NA PeJP NA NA +PJ084812 VRRRRW C40H69N19O7 927.5628 NA PeJP NA NA +PJ084813 ALLLLKEE C43H77N9O13 927.5641 NA PeJP NA NA +PJ084814 PTLKKRW C44H73N13O9 927.5655 NA PeJP NA NA +PJ084815 GPVLKKMR C41H77N13O9S 927.5688 NA PeJP NA NA +PJ084816 ALKERRR C38H73N17O10 927.5727 NA PeJP NA NA +PJ084817 ATLLLLER C42H77N11O12 927.5754 NA PeJP NA NA +PJ084818 GLLKRRW C43H73N15O8 927.5767 NA PeJP NA NA +PJ084819 GTLLLLLW C47H77N9O10 927.5794 NA PeJP NA NA +PJ084820 PLKKMRR C40H77N15O8S 927.5801 NA PeJP NA NA +PJ084821 PTLLLLKM C44H81N9O10S 927.5828 NA PeJP NA NA +PJ084822 ATLRRRR C37H73N19O9 927.5839 NA PeJP NA NA +PJ084823 AALLKKER C41H77N13O11 927.5866 NA PeJP NA NA +PJ084824 LLLQKKW C46H77N11O9 927.5906 NA PeJP NA NA +PJ084825 GLLLLLMR C43H81N11O9S 927.594 NA PeJP NA NA +PJ084826 VLKKERR C40H77N15O10 927.5978 NA PeJP NA NA +PJ084827 SLLLLLKE C44H81N9O12 927.6005 NA PeJP NA NA +PJ084828 VVLKKRW C45H77N13O8 927.6018 NA PeJP NA NA +PJ084829 SLLKRRR C39H77N17O9 927.6091 NA PeJP NA NA +PJ084830 STLLLLLR C43H81N11O11 927.6117 NA PeJP NA NA +PJ084831 GLLLKKKE C43H81N11O11 927.6118 NA PeJP NA NA +PJ084832 PVVLLLKF C48H81N9O9 927.6158 NA PeJP NA NA +PJ084833 VVLLLLKM C45H85N9O9S 927.6191 NA PeJP NA NA +PJ084834 GKKKRRR C38H77N19O8 927.6203 NA PeJP NA NA +PJ084835 GTLLLKKR C42H81N13O10 927.623 NA PeJP NA NA +PJ084836 LLLKKKW C47H81N11O8 927.627 NA PeJP NA NA +PJ084837 LQKKKKR C41H81N15O9 927.6342 NA PeJP NA NA +PJ084838 SVLLLKKK C44H85N11O10 927.6481 NA PeJP NA NA +PJ084839 GVLKKKKK C43H85N13O9 927.6594 NA PeJP NA NA +PJ084840 LKKKKKR C42H85N15O8 927.6706 NA PeJP NA NA +HMDB08553 PC(22:0/24:1(15Z)) C54H106NO8P 927.765625 NA HMDB2010 NA NA +HMDB08584 PC(22:1(13Z)/24:0) C54H106NO8P 927.765625 NA HMDB2010 NA NA +HMDB08776 PC(24:0/22:1(13Z)) C54H106NO8P 927.765625 NA HMDB2010 NA NA +HMDB08808 PC(24:1(15Z)/22:0) C54H106NO8P 927.765625 NA HMDB2010 NA NA +2888 NA AEPGADDAEEVEQKQLQ 927.9129 MH2+ Inhouse_peptide NA peptide +MJ097938 Oolonghomobisflavan A C45H36O22 928.169822 NA MeJP NA NA +MJ097939 Oolonghomobisflavan B C45H36O22 928.169822 NA MeJP NA NA +PJ084841 CCCCCCEY C32H48N8O12S6 928.1716 NA PeJP NA NA +MJ097940 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(4,6-di-O-malonyl-?-D-glucopyranoside) C42H41O24(+) 928.190952 NA MeJP NA NA +MJ097941 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[3,4-Dihydroxycinnamoyl-(??)-?-D-glucopyranoside], 5-O-(di-O-malonyl-?-D-glucopyranoside) C42H41O24(+) 928.190952 NA MeJP NA NA +PJ084842 CCCCDDMH C31H48N10O13S5 928.2006 NA PeJP NA NA +PJ084843 CCDDDDDE C31H44N8O21S2 928.2063 NA PeJP NA NA +PJ084844 TCCCCCMY C33H52N8O11S6 928.208 NA PeJP NA NA +PJ084845 GSCCCCCNH C30H48N12O12S5 928.2119 NA PeJP NA NA +PJ084846 GPCCCCNDD C31H48N10O15S4 928.2184 NA PeJP NA NA +PJ084847 GCCCCDYY C36H48N8O13S4 928.2224 NA PeJP NA NA +PJ084848 CCNNDDDM C31H48N10O17S3 928.2361 NA PeJP NA NA +PJ084849 GGCCNDDDM C31H48N10O17S3 928.2362 NA PeJP NA NA +PJ084850 SCCCDMMH C32H52N10O12S5 928.237 NA PeJP NA NA +PJ084851 GCCCCMFY C37H52N8O10S5 928.241 NA PeJP NA NA +PJ084852 SCDDDDEM C32H48N8O20S2 928.2427 NA PeJP NA NA +PJ084853 PCCDDDMM C33H52N8O15S4 928.2435 NA PeJP NA NA +PJ084854 GSCCCNNND C30H48N12O16S3 928.2474 NA PeJP NA NA +PJ084855 GCCCNDEW C35H48N10O14S3 928.2514 NA PeJP NA NA +PJ084856 GSSCCNDDE C31H48N10O19S2 928.2539 NA PeJP NA NA +PJ084857 GSPCCCNDM C32H52N10O14S4 928.2548 NA PeJP NA NA +PJ084858 ACCCMMMH C33H56N10O9S6 928.2556 NA PeJP NA NA +PJ084859 SCCCCHHH C33H48N14O10S4 928.2561 NA PeJP NA NA +PJ084860 GDDDDDDY C35H44N8O22 928.2571 NA PeJP NA NA +PJ084861 PCCDDDDF C36H48N8O17S2 928.2579 NA PeJP NA NA +PJ084862 GSCCCMYY C37H52N8O12S4 928.2588 NA PeJP NA NA +PJ084863 GDDDDMMM C33H52N8O17S3 928.2613 NA PeJP NA NA +PJ084864 PCCCDDHH C34H48N12O13S3 928.2626 NA PeJP NA NA +MJ097942 Naamidine A; Zn complex C46H44N10O8Zn 928.263505 NA MeJP NA NA +PJ084865 CCCNNNQM C31H52N12O13S4 928.266 NA PeJP NA NA +PJ084866 CCCNDWW C39H48N10O11S3 928.2667 NA PeJP NA NA +PJ084867 SSCCNDDW C35H48N10O16S2 928.2692 NA PeJP NA NA +PJ084868 SPCCCCQW C36H52N10O11S4 928.27 NA PeJP NA NA +PJ084869 SSSSCNDDD C31H48N10O21S 928.2717 NA PeJP NA NA +PJ084870 SCNNDDMM C32H52N10O16S3 928.2725 NA PeJP NA NA +PJ084871 SSCCMMMH C33H56N10O11S5 928.2734 NA PeJP NA NA +PJ084872 GCCCCFFF C41H52N8O9S4 928.2741 NA PeJP NA NA +PJ084873 SPCDDDDY C36H48N8O19S 928.2757 NA PeJP NA NA +PJ084874 SSTCCCYY C37H52N8O14S3 928.2765 NA PeJP NA NA +PJ084875 CDDEMMW C37H52N8O14S3 928.2766 NA PeJP NA NA +PJ084876 CCCCNNNR C30H52N14O12S4 928.2772 NA PeJP NA NA +PJ084877 GGGGCCCCNR C30H52N14O12S4 928.2773 NA PeJP NA NA +PJ084878 STDDDDMM C33H52N8O19S2 928.279 NA PeJP NA NA +PJ084879 SSDDDEMM C33H52N8O19S2 928.2791 NA PeJP NA NA +PJ084880 SPCDDMMM C34H56N8O14S4 928.2799 NA PeJP NA NA +PJ084881 GCDDDMHH C34H48N12O15S2 928.2804 NA PeJP NA NA +PJ084882 SCCCNDER C31H52N12O15S3 928.2838 NA PeJP NA NA +PJ084883 PCCCCNMR C32H56N12O10S5 928.2846 NA PeJP NA NA +PJ084884 CCCMHFW C40H52N10O8S4 928.2853 NA PeJP NA NA +PJ084885 GCNNDDEY C35H48N10O18S 928.2869 NA PeJP NA NA +PJ084886 GSCCNEMW C36H52N10O13S3 928.2878 NA PeJP NA NA +PJ084887 GSSSCNDEM C32H52N10O18S2 928.2903 NA PeJP NA NA +PJ084888 CDDDEFW C40H48N8O16S 928.2909 NA PeJP NA NA +PJ084889 ACCNQEMM C33H56N10O13S4 928.2911 NA PeJP NA NA +PJ084890 GCNNEMMM C33H56N10O13S4 928.2912 NA PeJP NA NA +PJ084891 SCCNNDHH C33H48N14O14S2 928.2916 NA PeJP NA NA +PJ084892 CCCQFYY C41H52N8O11S3 928.2918 NA PeJP NA NA +PJ084893 GSDDDEEY C36H48N8O21 928.2934 NA PeJP NA NA +PJ084894 GPCDDEMY C37H52N8O16S2 928.2943 NA PeJP NA NA +PJ084895 PPCCCEMF C38H56N8O11S4 928.2952 NA PeJP NA NA +PJ084896 CCDEHHW C38H48N12O12S2 928.2957 NA PeJP NA NA +PJ084897 GSDEEMMM C34H56N8O16S3 928.2977 NA PeJP NA NA +PJ084898 SSCDDEHH C34H48N12O17S 928.2982 NA PeJP NA NA +PJ084899 GPCEMMMM C35H60N8O11S5 928.2986 NA PeJP NA NA +PJ084900 GSCCCDRW C35H52N12O12S3 928.299 NA PeJP NA NA +PJ084901 GSSSCCDDR C31H52N12O17S2 928.3015 NA PeJP NA NA +PJ084902 CNNDDYW C39H48N10O15S 928.3022 NA PeJP NA NA +PJ084903 GCCNDMMR C32H56N12O12S4 928.3024 NA PeJP NA NA +PJ084904 SCCNMWW C40H52N10O10S3 928.303 NA PeJP NA NA +PJ084905 GGGPCCCFW C40H52N10O10S3 928.3031 NA PeJP NA NA +PJ084906 SSNNDDDY C35H48N10O20 928.3047 NA PeJP NA NA +PJ084907 SSSCNDMW C36H52N10O15S2 928.3055 NA PeJP NA NA +PJ084908 GGGGSPCCEY C36H52N10O15S2 928.3056 NA PeJP NA NA +PJ084909 CNNMMMW C37H56N10O10S4 928.3064 NA PeJP NA NA +PJ084910 SSSSSNDDM C32H52N10O20S 928.308 NA PeJP NA NA +PJ084911 SDDDEYW C40H48N8O18 928.3087 NA PeJP NA NA +PJ084912 SSNNDMMM C33H56N10O15S3 928.3089 NA PeJP NA NA +PJ084913 SCCQYYY C41H52N8O13S2 928.3095 NA PeJP NA NA +PJ084914 PCDDMYW C41H52N8O13S2 928.3096 NA PeJP NA NA +PJ084915 PCCCNKMM C34H60N10O10S5 928.3098 NA PeJP NA NA +PJ084916 GCCNQMHH C34H52N14O11S3 928.3103 NA PeJP NA NA +PJ084917 NDEEEMY C37H52N8O18S 928.3121 NA PeJP NA NA +PJ084918 SDEMMMW C38H56N8O13S3 928.3129 NA PeJP NA NA +PJ084919 GCCCCERR C31H56N14O11S4 928.3136 NA PeJP NA NA +PJ084920 PCMMMMW C39H60N8O8S5 928.3138 NA PeJP NA NA +PJ084921 SSSEEEMM C34H56N8O18S2 928.3154 NA PeJP NA NA +PJ084922 GNNDDEEH C34H48N12O19 928.3159 NA PeJP NA NA +PJ084923 QEEMMMM C35H60N8O13S4 928.3163 NA PeJP NA NA +PJ084924 GCNNNNMY C35H52N12O14S2 928.3168 NA PeJP NA NA +PJ084925 CCCQMRW C36H56N12O9S4 928.3176 NA PeJP NA NA +PJ084926 GACCCMRW C36H56N12O9S4 928.3177 NA PeJP NA NA +PJ084927 GSSSSSSCNN C31H52N12O19S 928.3193 NA PeJP NA NA +PJ084928 SSCCNEMR C32H56N12O14S3 928.3201 NA PeJP NA NA +PJ084929 GGSTCCDMR C32H56N12O14S3 928.3202 NA PeJP NA NA +PJ084930 GSSTCCWW C40H52N10O12S2 928.3208 NA PeJP NA NA +PJ084931 GCCCNHHR C33H52N16O10S3 928.3215 NA PeJP NA NA +PJ084932 GSSSSSCEW C36H52N10O17S 928.3233 NA PeJP NA NA +PJ084933 GSSCQMMW C37H56N10O12S3 928.3242 NA PeJP NA NA +PJ084934 GSSSSSSSDE C32H52N10O22 928.3258 NA PeJP NA NA +PJ084935 GSSSSNEMM C33H56N10O17S2 928.3267 NA PeJP NA NA +PJ084936 SNNNNDDH C33H48N14O18 928.3271 NA PeJP NA NA +PJ084937 GGGGSNNDDH C33H48N14O18 928.3272 NA PeJP NA NA +PJ084938 GDEEMYW C41H52N8O15S 928.3273 NA PeJP NA NA +PJ084939 DDMMMMR C34H60N10O12S4 928.3275 NA PeJP NA NA +PJ084940 GGGGGTMMMM C34H60N10O12S4 928.3276 NA PeJP NA NA +PJ084941 SSCNNMHH C34H52N14O13S2 928.328 NA PeJP NA NA +PJ084942 PCDMMFW C42H56N8O10S3 928.3282 NA PeJP NA NA +PJ084943 CCCCRRW C35H56N14O8S4 928.3289 NA PeJP NA NA +PJ084944 GSSEEEEY C37H52N8O20 928.3298 NA PeJP NA NA +PJ084945 GSPDEMMY C38H56N8O15S2 928.3307 NA PeJP NA NA +PJ084946 NNDDEHW C38H48N12O16 928.3312 NA PeJP NA NA +PJ084947 SSCCCDRR C31H56N14O13S3 928.3314 NA PeJP NA NA +PJ084948 AEMMMMW C39H60N8O10S4 928.3316 NA PeJP NA NA +PJ084949 SCEMHHW C39H52N12O11S2 928.332 NA PeJP NA NA +PJ084950 GTTEEMMM C35H60N8O15S3 928.3341 NA PeJP NA NA +PJ084951 GSCNDDRY C35H52N12O16S 928.3345 NA PeJP NA NA +PJ084952 GGGGGGGGSTCY C35H52N12O16S 928.3346 NA PeJP NA NA +PJ084953 GPTMMMMM C36H64N8O10S5 928.3349 NA PeJP NA NA +PJ084954 GSSCCMRW C36H56N12O11S3 928.3354 NA PeJP NA NA +PJ084955 GSCDHHHH C36H48N16O12S 928.3359 NA PeJP NA NA +PJ084956 ACCNFWW C44H52N10O9S2 928.336 NA PeJP NA NA +PJ084957 GCCQFWW C44H52N10O9S2 928.3361 NA PeJP NA NA +PJ084958 GSSSSCDMR C32H56N12O16S2 928.3379 NA PeJP NA NA +PJ084959 SSSSSCWW C40H52N10O14S 928.3385 NA PeJP NA NA +PJ084960 GGSNDMYW C40H52N10O14S 928.3386 NA PeJP NA NA +PJ084961 GSCNMMMR C33H60N12O11S4 928.3388 NA PeJP NA NA +PJ084962 TCCCKWW C41H56N10O9S3 928.3394 NA PeJP NA NA +PJ084963 SSSSSSSDW C36H52N10O19 928.341 NA PeJP NA NA +PJ084964 GGSSSNEEY C36H52N10O19 928.3411 NA PeJP NA NA +PJ084965 SSSSNMMW C37H56N10O14S2 928.3419 NA PeJP NA NA +PJ084966 GPDDDHHH C37H48N14O15 928.3424 NA PeJP NA NA +PJ084967 DEMYWW C45H52N8O12S 928.3426 NA PeJP NA NA +PJ084968 CCQKMMW C38H60N10O9S4 928.3428 NA PeJP NA NA +PJ084969 SSSSSSQEM C33H56N10O19S 928.3444 NA PeJP NA NA +PJ084970 SSEEEYW C41H52N8O17 928.3451 NA PeJP NA NA +PJ084971 SSSQQMMM C34H60N10O14S3 928.3453 NA PeJP NA NA +PJ084972 GSSSSCQHH C34H52N14O15S 928.3458 NA PeJP NA NA +PJ084973 SPDMMYW C42H56N8O12S2 928.3459 NA PeJP NA NA +PJ084974 GPPCDMFY C42H56N8O12S2 928.346 NA PeJP NA NA +PJ084975 GNDDHWW C42H48N12O13 928.3464 NA PeJP NA NA +PJ084976 CDMMHHR C35H56N14O10S3 928.3466 NA PeJP NA NA +PJ084977 GGPPCCCHR C35H56N14O10S3 928.3467 NA PeJP NA NA +PJ084978 PCCHHFW C43H52N12O8S2 928.3473 NA PeJP NA NA +PJ084979 TQEEEMY C38H56N8O17S 928.3484 NA PeJP NA NA +PJ084980 GATEEEMY C38H56N8O17S 928.3485 NA PeJP NA NA +PJ084981 EEYYYY C46H52N6O15 928.3491 NA PeJP NA NA +PJ084982 TTEMMMW C39H60N8O12S3 928.3493 NA PeJP NA NA +PJ084983 GSPCNEHW C39H52N12O13S 928.3498 NA PeJP NA NA +PJ084984 GTCCCMRR C32H60N14O10S4 928.35 NA PeJP NA NA +PJ084985 GMMMHHW C40H56N12O8S3 928.3507 NA PeJP NA NA +PJ084986 STTTEEMM C35H60N8O17S2 928.3518 NA PeJP NA NA +PJ084987 GSSSSNNNY C35H52N12O18 928.3523 NA PeJP NA NA +PJ084988 KEEMMMM C36H64N8O12S4 928.3527 NA PeJP NA NA +PJ084989 SSSTCCRW C36H56N12O13S2 928.3532 NA PeJP NA NA +PJ084990 GSCQYWW C44H52N10O11S 928.3538 NA PeJP NA NA +PJ084991 CCCKMRW C37H60N12O8S4 928.354 NA PeJP NA NA +PJ084992 CQMHHHH C37H52N16O9S2 928.3545 NA PeJP NA NA +PJ084993 SSSSSSCER C32H56N12O18S 928.3556 NA PeJP NA NA +PJ084994 SSSSSTCDR C32H56N12O18S 928.3557 NA PeJP NA NA +PJ084995 GSSSNEYW C40H52N10O16 928.3563 NA PeJP NA NA +PJ084996 SSSCQMMR C33H60N12O13S3 928.3565 NA PeJP NA NA +PJ084997 GCNNNDHR C33H52N16O14S 928.357 NA PeJP NA NA +PJ084998 GNQMMYW C41H56N10O11S2 928.3572 NA PeJP NA NA +MJ097943 Jasmoside C43H60O22 928.357623 NA MeJP NA NA +MJ097944 Jasnudifloside C C43H60O22 928.357623 NA MeJP NA NA +MJ097945 Nudifloside B C43H60O22 928.357623 NA MeJP NA NA +PJ084999 GSSSSSTMW C37H56N10O16S 928.3597 NA PeJP NA NA +PJ085000 GPDEYYW C45H52N8O14 928.3603 NA PeJP NA NA +PJ085001 PCEMMRY C38H60N10O11S3 928.3605 NA PeJP NA NA +PJ085002 GSSCKMMW C38H60N10O11S3 928.3606 NA PeJP NA NA +PJ085003 NNNNMHW C38H52N14O12S 928.361 NA PeJP NA NA +PJ085004 GGGGGGGGMHW C38H52N14O12S 928.3611 NA PeJP NA NA +PJ085005 EMMFWW C46H56N8O9S2 928.3612 NA PeJP NA NA +PJ085006 GSSSSSSTTE C33H56N10O21 928.3622 NA PeJP NA NA +PJ085007 GSSSTTQMM C34H60N10O16S2 928.363 NA PeJP NA NA +PJ085008 GSSSSDKMM C34H60N10O16S2 928.3631 NA PeJP NA NA +PJ085009 GSNDDEHR C34H52N14O17 928.3635 NA PeJP NA NA +PJ085010 GGGGGGGGSTEH C34H52N14O17 928.3636 NA PeJP NA NA +PJ085011 ATEEMYW C42H56N8O14S 928.3637 NA PeJP NA NA +PJ085012 TEMMMMR C35H64N10O11S4 928.3639 NA PeJP NA NA +PJ085013 CCNDRRY C35H56N14O12S2 928.3644 NA PeJP NA NA +PJ085014 APMMMYW C43H60N8O9S3 928.3646 NA PeJP NA NA +PJ085015 SPCNHWW C43H52N12O10S 928.365 NA PeJP NA NA +PJ085016 GGSPCHWW C43H52N12O10S 928.3651 NA PeJP NA NA +PJ085017 CCHHHHR C36H52N18O8S2 928.3657 NA PeJP NA NA +PJ085018 GTTTEEEY C38H56N8O19 928.3662 NA PeJP NA NA +PJ085019 VQEEMMY C39H60N8O14S2 928.3671 NA PeJP NA NA +PJ085020 SNQEEHW C39H52N12O15 928.3675 NA PeJP NA NA +PJ085021 GGSQEEHW C39H52N12O15 928.3676 NA PeJP NA NA +PJ085022 SSSCCMRR C32H60N14O12S3 928.3678 NA PeJP NA NA +PJ085023 SLMMMMW C40H64N8O9S4 928.3679 NA PeJP NA NA +PJ085024 AAPMMMMF C40H64N8O9S4 928.368 NA PeJP NA NA +PJ085025 GCNMRYW C40H56N12O10S2 928.3684 NA PeJP NA NA +PJ085026 SSTLEMMM C36H64N8O14S3 928.3704 NA PeJP NA NA +PJ085027 GSSNDMRY C36H56N12O15S 928.3709 NA PeJP NA NA +PJ085028 GGGGGGGGPPEM C36H56N12O15S 928.371 NA PeJP NA NA +PJ085029 AALMMMMM C37H68N8O9S5 928.3713 NA PeJP NA NA +PJ085030 SSSNYWW C44H52N10O13 928.3716 NA PeJP NA NA +PJ085031 GPCCCKRY C37H60N12O10S3 928.3718 NA PeJP NA NA +PJ085032 GSSMHHHH C37H52N16O11S 928.3723 NA PeJP NA NA +PJ085033 GCCKFWW C45H56N10O8S2 928.3724 NA PeJP NA NA +MJ097946 Antibiotic BA 12100Z1; 4'''-O-(Methylmalonyl) C47H60O19 928.372879 NA MeJP NA NA +MJ097947 Chukrasins; Chukrasin D C47H60O19 928.372879 NA MeJP NA NA +PJ085034 GSSSSSMMR C33H60N12O15S2 928.3743 NA PeJP NA NA +PJ085035 SSQQMYW C41H56N10O13S 928.3749 NA PeJP NA NA +PJ085036 GGSPPPCEW C41H56N10O13S 928.375 NA PeJP NA NA +PJ085037 GTCCKMMR C34H64N12O10S4 928.3752 NA PeJP NA NA +PJ085038 PDYYWW C49H52N8O11 928.3756 NA PeJP NA NA +PJ085039 PPMMMHW C42H60N10O8S3 928.3758 NA PeJP NA NA +PJ085040 SSSSSSTTW C37H56N10O18 928.3774 NA PeJP NA NA +PJ085041 GSLEEEEH C37H56N10O18 928.3775 NA PeJP NA NA +PJ085042 SSSTCKMW C38H60N10O13S2 928.3783 NA PeJP NA NA +PJ085043 SNDDHRW C38H52N14O14 928.3788 NA PeJP NA NA +PJ085044 PPTCYYW C46H56N8O11S 928.379 NA PeJP NA NA +PJ085045 CCKKMMW C39H64N10O8S4 928.3792 NA PeJP NA NA +PJ085046 PCCQHRW C39H56N14O9S2 928.3797 NA PeJP NA NA +PJ085047 SSSSSSKEM C34H60N10O18S 928.3808 NA PeJP NA NA +PJ085048 TTTEEYW C42H56N8O16 928.3815 NA PeJP NA NA +PJ085049 SSSQKMMM C35H64N10O13S3 928.3817 NA PeJP NA NA +PJ085050 GSNQQQMH C35H56N14O14S 928.3821 NA PeJP NA NA +PJ085051 NNEEMHR C35H56N14O14S 928.3822 NA PeJP NA NA +PJ085052 GLEMMYW C43H60N8O11S2 928.3823 NA PeJP NA NA +PJ085053 VMMMMMR C36H68N10O8S5 928.3826 NA PeJP NA NA +PJ085054 GSQEHWW C43H52N12O12 928.3828 NA PeJP NA NA +PJ085055 CCNMFRR C36H60N14O9S3 928.383 NA PeJP NA NA +PJ085056 TKEEEMY C39H60N8O16S 928.3848 NA PeJP NA NA +PJ085057 PKEMMMY C40H64N8O11S3 928.3857 NA PeJP NA NA +PJ085058 SSCQRYW C40H56N12O12S 928.3862 NA PeJP NA NA +PJ085059 NNFYWW C48H52N10O10 928.3868 NA PeJP NA NA +PJ085060 SSSSNERY C36H56N12O17 928.3887 NA PeJP NA NA +PJ085061 ATTLMMMM C37H68N8O11S4 928.3891 NA PeJP NA NA +PJ085062 SNQMMRY C37H60N12O12S2 928.3895 NA PeJP NA NA +PJ085063 GGGGTMMRY C37H60N12O12S2 928.3896 NA PeJP NA NA +PJ085064 SSSTHHHH C37H52N16O13 928.39 NA PeJP NA NA +PJ085065 GSCKYWW C45H56N10O10S 928.3902 NA PeJP NA NA +PJ085066 CKMHHHH C38H56N16O8S2 928.3909 NA PeJP NA NA +PJ085067 SSSSSSTMR C33H60N12O17S 928.392 NA PeJP NA NA +PJ085068 GSSSDKYW C41H56N10O15 928.3927 NA PeJP NA NA +PJ085069 SSSCKMMR C34H64N12O12S3 928.3929 NA PeJP NA NA +PJ085070 CNDEHRR C34H56N16O13S 928.3934 NA PeJP NA NA +PJ085071 GNKMMYW C42H60N10O10S2 928.3936 NA PeJP NA NA +PJ085072 SPEHHHW C42H52N14O11 928.394 NA PeJP NA NA +PJ085073 GGGGNHHFF C42H52N14O11 928.3941 NA PeJP NA NA +PJ085074 PMFYWW C50H56N8O8S 928.3942 NA PeJP NA NA +PJ085075 TTEEMRY C38H60N10O15S 928.3961 NA PeJP NA NA +PJ085076 APTEYYW C46H56N8O13 928.3967 NA PeJP NA NA +PJ085077 PTMMMRY C39H64N10O10S3 928.3969 NA PeJP NA NA +PJ085078 GGGAKMMMF C39H64N10O10S3 928.397 NA PeJP NA NA +PJ085079 GNEMHRW C39H56N14O11S 928.3974 NA PeJP NA NA +PJ085080 LMMYWW C47H60N8O8S2 928.3976 NA PeJP NA NA +PJ085081 SQHWWW C47H52N12O9 928.398 NA PeJP NA NA +PJ085082 TNHWWW C47H52N12O9 928.3981 NA PeJP NA NA +PJ085083 ASSSSSTTTT C34H60N10O20 928.3985 NA PeJP NA NA +PJ085084 SSSSSSSSTL C34H60N10O20 928.3986 NA PeJP NA NA +PJ085085 GSSSTTKMM C35H64N10O15S2 928.3994 NA PeJP NA NA +PJ085086 GSSQEEHR C35H56N14O16 928.3999 NA PeJP NA NA +PJ085087 GGGGGGGGGGAAPT C35H56N14O16 928.4 NA PeJP NA NA +PJ085088 STLEMYW C43H60N8O13S 928.4001 NA PeJP NA NA +PJ085089 GTCKKMMM C36H68N10O10S4 928.4003 NA PeJP NA NA +PJ085090 SCNMRRY C36H60N14O11S2 928.4008 NA PeJP NA NA +PJ085091 ALMMMFW C44H64N8O8S3 928.401 NA PeJP NA NA +PJ085092 NNDHHHR C36H52N18O12 928.4012 NA PeJP NA NA +PJ085093 GGNDHHHR C36H52N18O12 928.4013 NA PeJP NA NA +PJ085094 AAQMHWW C44H56N12O9S 928.4014 NA PeJP NA NA +PJ085095 SSTTLEEY C39H60N8O18 928.4026 NA PeJP NA NA +PJ085096 VKEEMMY C40H64N8O13S2 928.4035 NA PeJP NA NA +PJ085097 GSSSSRYW C40H56N12O14 928.4039 NA PeJP NA NA +PJ085098 GGGGAAPQEW C40H56N12O14 928.404 NA PeJP NA NA +PJ085099 ACCKRYW C41H60N12O9S2 928.4048 NA PeJP NA NA +PJ085100 GQQHHHW C41H52N16O10 928.4053 NA PeJP NA NA +PJ085101 TTTTLMMM C37H68N8O13S3 928.4068 NA PeJP NA NA +PJ085102 GSSTQMRY C37H60N12O14S 928.4073 NA PeJP NA NA +PJ085103 SPPQEWW C45H56N10O12 928.4079 NA PeJP NA NA +PJ085104 PPTNEWW C45H56N10O12 928.408 NA PeJP NA NA +PJ085105 CNKMMFR C38H64N12O9S3 928.4082 NA PeJP NA NA +PJ085106 GCDHRRW C38H56N16O10S 928.4087 NA PeJP NA NA +7686 ACE inhibitor from ovalbumin FFGRCVSP 928.41 antioxidative Inhouse_peptide NA peptide +MJ097948 Chromoxymycin C49H60N4O14 928.410602 NA MeJP NA NA +PJ085107 SSSNNQHR C34H56N16O15 928.4111 NA PeJP NA NA +PJ085108 GSSDDHRR C34H56N16O15 928.4112 NA PeJP NA NA +PJ085109 SSQKMYW C42H60N10O12S 928.4113 NA PeJP NA NA +PJ085110 VEFYWW C50H56N8O10 928.412 NA PeJP NA NA +PJ085111 NMHRWW C43H56N14O8S 928.4127 NA PeJP NA NA +PJ085112 SSSTQKEY C38H60N10O17 928.4138 NA PeJP NA NA +PJ085113 GGGAAPLEEE C38H60N10O17 928.4139 NA PeJP NA NA +PJ085114 SLEMMRY C39H64N10O12S2 928.4147 NA PeJP NA NA +PJ085115 SSQEHRW C39H56N14O13 928.4152 NA PeJP NA NA +PJ085116 GPLMYYW C47H60N8O10S 928.4153 NA PeJP NA NA +PJ085117 GLEMFFW C47H60N8O10S 928.4154 NA PeJP NA NA +PJ085118 PCCKHRW C40H60N14O8S2 928.416 NA PeJP NA NA +PJ085119 PQHHHHH C40H52N18O9 928.4165 NA PeJP NA NA +PJ085120 SSSSTTTKM C35H64N10O17S 928.4172 NA PeJP NA NA +PJ085121 PTKEEYY C43H60N8O15 928.4178 NA PeJP NA NA +PJ085122 GGVLEEYY C43H60N8O15 928.4179 NA PeJP NA NA +PJ085123 SSSKKMMM C36H68N10O12S3 928.4181 NA PeJP NA NA +PJ085124 GSSTCRRY C36H60N14O13S 928.4185 NA PeJP NA NA +PJ085125 GPPCDERR C36H60N14O13S 928.4186 NA PeJP NA NA +PJ085126 SVLMMYW C44H64N8O10S2 928.4187 NA PeJP NA NA +PJ085127 GSKEHWW C44H56N12O11 928.4192 NA PeJP NA NA +PJ085128 SSSLLEMY C40H64N8O15S 928.4212 NA PeJP NA NA +PJ085129 LLQMMMY C41H68N8O10S3 928.4221 NA PeJP NA NA +PJ085130 SSCKRYW C41H60N12O11S 928.4225 NA PeJP NA NA +PJ085131 PPNEMRW C41H60N12O11S 928.4226 NA PeJP NA NA +PJ085132 GPPTWWW C49H56N10O9 928.4232 NA PeJP NA NA +PJ085133 SSSTTQRY C37H60N12O16 928.425 NA PeJP NA NA +PJ085134 SSSSDKRY C37H60N12O16 928.4251 NA PeJP NA NA +PJ085135 SNKMMRY C38H64N12O11S2 928.4259 NA PeJP NA NA +PJ085136 GGGGGLLMMH C38H64N12O11S2 928.426 NA PeJP NA NA +PJ085137 NNNQHFR C38H56N16O12 928.4264 NA PeJP NA NA +PJ085138 PPVNMWW C46H60N10O9S 928.4266 NA PeJP NA NA +PJ085139 PFFFWW C54H56N8O7 928.4272 NA PeJP NA NA +PJ085140 GSSTTKYW C42H60N10O14 928.4291 NA PeJP NA NA +PJ085141 SNEMHRR C35H60N16O12S 928.4298 NA PeJP NA NA +PJ085142 ACKKMYW C43H64N10O9S2 928.4299 NA PeJP NA NA +PJ085143 VCCKKYW C43H64N10O9S2 928.43 NA PeJP NA NA +PJ085144 GSTHRWW C43H56N14O10 928.4304 NA PeJP NA NA +PJ085145 LMFFWW C51H60N8O7S 928.4306 NA PeJP NA NA +PJ085146 GTTTQKMY C39H64N10O14S 928.4324 NA PeJP NA NA +PJ085147 GSSKKEMY C39H64N10O14S 928.4325 NA PeJP NA NA +PJ085148 GVLEYYW C47H60N8O12 928.4331 NA PeJP NA NA +PJ085149 VVMMMRY C40H68N10O9S3 928.4333 NA PeJP NA NA +PJ085150 PPCDRRW C40H60N14O10S 928.4338 NA PeJP NA NA +PJ085151 SKHWWW C48H56N12O8 928.4344 NA PeJP NA NA +PJ085152 GVHHFFW C48H56N12O8 928.4345 NA PeJP NA NA +PJ085153 SSSSSRRY C36H60N14O15 928.4363 NA PeJP NA NA +PJ085154 PVKEMYY C44H64N8O12S 928.4365 NA PeJP NA NA +PJ085155 TCCKRRY C37H64N14O10S2 928.4372 NA PeJP NA NA +PJ085156 SQQHHHR C37H56N18O11 928.4376 NA PeJP NA NA +PJ085157 GGGATHHHR C37H56N18O11 928.4377 NA PeJP NA NA +PJ085158 GPPMRWW C45H60N12O8S 928.4378 NA PeJP NA NA +PJ085159 TTTTTLEY C40H64N8O17 928.439 NA PeJP NA NA +PJ085160 GTTLLMMY C41H68N8O12S2 928.4398 NA PeJP NA NA +PJ085161 PVNEERW C41H60N12O13 928.4403 NA PeJP NA NA +PJ085162 GGGGGGGGPPLF C41H60N12O13 928.4404 NA PeJP NA NA +PJ085163 SCDHRRR C34H60N18O11S 928.441 NA PeJP NA NA +PJ085164 PCKKMHW C42H64N12O8S2 928.4412 NA PeJP NA NA +PJ085165 GQKHHHW C42H56N16O9 928.4417 NA PeJP NA NA +PJ085166 GSSTKMRY C38H64N12O13S 928.4437 NA PeJP NA NA +PJ085167 SPPKEWW C46H60N10O11 928.4443 NA PeJP NA NA +PJ085168 GAAPLEWW C46H60N10O11 928.4444 NA PeJP NA NA +PJ085169 GSMHRRW C39H60N16O9S 928.445 NA PeJP NA NA +PJ085170 HHFFRW C47H56N14O7 928.4457 NA PeJP NA NA +PJ085171 PDDDRRR C35H60N16O14 928.4475 NA PeJP NA NA +PJ085172 GGGGGSPERR C35H60N16O14 928.4476 NA PeJP NA NA +PJ085173 SSKKMYW C43H64N10O11S 928.4477 NA PeJP NA NA +PJ085174 VLYYWW C51H60N8O9 928.4484 NA PeJP NA NA +PJ085175 SSSTKKEY C39H64N10O16 928.4502 NA PeJP NA NA +PJ085176 TQKKMMY C40H68N10O11S2 928.4511 NA PeJP NA NA +PJ085177 SSKEHRW C40H60N14O12 928.4515 NA PeJP NA NA +PJ085178 GPEERRW C40H60N14O12 928.4516 NA PeJP NA NA +PJ085179 GLLMFYW C48H64N8O9S 928.4517 NA PeJP NA NA +PJ085180 PKHHHHH C41H56N18O8 928.4529 NA PeJP NA NA +PJ085181 VVKEEYY C44H64N8O14 928.4542 NA PeJP NA NA +PJ085182 GSPPEMRR C37H64N14O12S 928.4549 NA PeJP NA NA +PJ085183 GGGGGGAPLMR C37H64N14O12S 928.455 NA PeJP NA NA +PJ085184 PLKMMFY C45H68N8O9S2 928.4551 NA PeJP NA NA +PJ085185 GPVERWW C45H60N12O10 928.4556 NA PeJP NA NA +PJ085186 STTTLLMY C41H68N8O14S 928.4576 NA PeJP NA NA +PJ085187 LLKMMMY C42H72N8O9S3 928.4585 NA PeJP NA NA +PJ085188 NNNQQRR C34H60N18O13 928.4588 NA PeJP NA NA +PJ085189 ASPPCLRW C42H64N12O10S 928.4589 NA PeJP NA NA +PJ085190 PPDKMRW C42H64N12O10S 928.459 NA PeJP NA NA +PJ085191 AAPLWWW C50H60N10O8 928.4596 NA PeJP NA NA +PJ085192 SSSTTKRY C38H64N12O15 928.4614 NA PeJP NA NA +PJ085193 AAPKEEER C38H64N12O15 928.4615 NA PeJP NA NA +PJ085194 TCKKMRY C39H68N12O10S2 928.4623 NA PeJP NA NA +PJ085195 SSTHRRW C39H60N16O11 928.4628 NA PeJP NA NA +PJ085196 PPCLKWW C47H64N10O8S 928.463 NA PeJP NA NA +PJ085197 PLQKEEW C43H64N10O13 928.4655 NA PeJP NA NA +PJ085198 SDKMHRR C36H64N16O11S 928.4662 NA PeJP NA NA +PJ085199 VLLMMHW C44H68N10O8S2 928.4663 NA PeJP NA NA +MJ097949 2,3,16,21,23-Pentahydroxy-12-oleanen-28-oic acid, 28?21 Lactone, 3-O-[?-D-xylopyranosyl(1?2)-?-L-arabinopyranosyl(1?6)-?-D-glucopyranoside] C46H72O19 928.46678 NA MeJP NA NA +MJ097950 24(23?22)-Abeo-16,23:18,20-diepoxycholesta-5,24-diene-3,18,23-triol, 18-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C46H72O19 928.46678 NA MeJP NA NA +PJ085200 PERRWW C44H60N14O9 928.4668 NA PeJP NA NA +PJ085201 GTTTKKMY C40H68N10O13S 928.4688 NA PeJP NA NA +PJ085202 APPKKEEM C40H68N10O13S 928.4689 NA PeJP NA NA +PJ085203 ATLLYYW C48H64N8O11 928.4695 NA PeJP NA NA +PJ085204 SPPMRRW C41H64N14O9S 928.4702 NA PeJP NA NA +PJ085205 PVRWWW C49H60N12O7 928.4708 NA PeJP NA NA +PJ085206 PDKEERR C37H64N14O14 928.4727 NA PeJP NA NA +PJ085207 VLLQMYY C45H68N8O11S 928.4728 NA PeJP NA NA +PJ085208 LLLNMYY C45H68N8O11S 928.4729 NA PeJP NA NA +34 Myosin VFPMNPPK 928.473 celiac toxic Inhouse_peptide NA peptide +PJ085209 AAPPMMRR C38H68N14O9S2 928.4736 NA PeJP NA NA +PJ085210 SQKHHHR C38H60N18O10 928.474 NA PeJP NA NA +PJ085211 SPLLLEEE C41H68N8O16 928.4754 NA PeJP NA NA +PJ085212 PPVLLEMM C42H72N8O11S2 928.4762 NA PeJP NA NA +PJ085213 PVDKERW C42H64N12O12 928.4767 NA PeJP NA NA +PJ085214 SSMHRRR C35H64N18O10S 928.4774 NA PeJP NA NA +PJ085215 QHFRRW C43H60N16O8 928.478 NA PeJP NA NA +PJ085216 GAHFRRW C43H60N16O8 928.4781 NA PeJP NA NA +PJ085217 APPTKEMR C39H68N12O12S 928.4801 NA PeJP NA NA +PJ085218 APLKEWW C47H64N10O10 928.4807 NA PeJP NA NA +PJ085219 VLMHHHR C40H64N16O8S 928.4814 NA PeJP NA NA +PJ085220 SPEERRR C36H64N16O13 928.4839 NA PeJP NA NA +PJ085221 GGGGGGGGGLKR C36H64N16O13 928.484 NA PeJP NA NA +PJ085222 GPPTLKMW C44H68N10O10S 928.4841 NA PeJP NA NA +PJ085223 GLLFFFW C52H64N8O8 928.4848 NA PeJP NA NA +PJ085224 STTTTKKY C40H68N10O15 928.4866 NA PeJP NA NA +PJ085225 TKKKMMY C41H72N10O10S2 928.4875 NA PeJP NA NA +PJ085226 SPVERRW C41H64N14O11 928.4879 NA PeJP NA NA +PJ085227 GGGAPTKRW C41H64N14O11 928.488 NA PeJP NA NA +PJ085228 PLKMFFF C49H68N8O8S 928.4881 NA PeJP NA NA +PJ085229 TLLKEYY C45H68N8O13 928.4906 NA PeJP NA NA +PJ085230 PLQEMRR C38H68N14O11S 928.4913 NA PeJP NA NA +PJ085231 LLKMMFF C46H72N8O8S2 928.4915 NA PeJP NA NA +PJ085232 APTLRWW C46H64N12O9 928.492 NA PeJP NA NA +PJ085233 PVVLLEEM C42H72N8O13S 928.494 NA PeJP NA NA +PJ085234 NNNQKRR C35H64N18O12 928.4951 NA PeJP NA NA +PJ085235 GQQERRR C35H64N18O12 928.4952 NA PeJP NA NA +PJ085236 PVLQMRW C43H68N12O9S 928.4953 NA PeJP NA NA +PJ085237 GPTLKEER C39H68N12O14 928.4978 NA PeJP NA NA +PJ085238 GGGVLLEER C39H68N12O14 928.4979 NA PeJP NA NA +PJ085239 GPPLKMMR C40H72N12O9S2 928.4987 NA PeJP NA NA +PJ085240 GVQQRRW C40H64N16O10 928.4992 NA PeJP NA NA +PJ085241 LLLQQEW C44H68N10O12 928.5018 NA PeJP NA NA +PJ085242 PLKKEEW C44H68N10O12 928.5019 NA PeJP NA NA +PJ085243 TTKMHRR C37H68N16O10S 928.5025 NA PeJP NA NA +PJ085244 PVDMRRR C37H68N16O10S 928.5026 NA PeJP NA NA +MJ097951 12-Oleanene-3,16,22,28-tetrol, 28-Aldehyde, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-L-arabinopyranoside] C47H76O18 928.503165 NA MeJP NA NA +MJ097952 13,28-Epoxy-3,16,30-oleananetriol, 30-Aldehyde, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-L-arabinopyranoside] C47H76O18 928.503165 NA MeJP NA NA +MJ097953 17,22,24-Trihydroxy-28-hopanoic acid; 17?-form, 28?22-Lactone, 24-O-[?-L-arabinofuranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C47H76O18 928.503165 NA MeJP NA NA +MJ097954 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Arabinopyranosyl-(1?2)-3-O-acetyl-?-D-xylopyranoside], 6-O-?-D-xylopyranoside C47H76O18 928.503165 NA MeJP NA NA +MJ097955 3,16,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O18 928.503165 NA MeJP NA NA +MJ097956 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O18 928.503165 NA MeJP NA NA +MJ097957 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?6)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] C47H76O18 928.503165 NA MeJP NA NA +MJ097958 3,19-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O18 928.503165 NA MeJP NA NA +MJ097959 3,19-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C47H76O18 928.503165 NA MeJP NA NA +MJ097960 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-D-Xylopyranoside, 28-O-[?-D-allopyranosyl-(1?6)-?-D-glucopyranosyl] ester C47H76O18 928.503165 NA MeJP NA NA +MJ097961 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside], ?-D-glucopyranosyl ester C47H76O18 928.503165 NA MeJP NA NA +MJ097962 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranoyl-(1?3)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O18 928.503165 NA MeJP NA NA +MJ097963 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C47H76O18 928.503165 NA MeJP NA NA +MJ097964 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O18 928.503165 NA MeJP NA NA +MJ097965 3,20-Dihydroxy-30-nor-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C47H76O18 928.503165 NA MeJP NA NA +MJ097966 3,8,12,14,15-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranoside] C47H76O18 928.503165 NA MeJP NA NA +MJ097967 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-L-arabinopyranoside] C47H76O18 928.503165 NA MeJP NA NA +MJ097968 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?4)]-?-L-arabinopyranoside] C47H76O18 928.503165 NA MeJP NA NA +MJ097969 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-L-arabinopyranoside] C47H76O18 928.503165 NA MeJP NA NA +MJ097970 Hederagenin bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O18 928.503165 NA MeJP NA NA +MJ097971 Hederagenin bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-xylopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O18 928.503165 NA MeJP NA NA +MJ097972 Hederagenin bisdesmosides; Triglycosides, 3-O-?-L-Arabinopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C47H76O18 928.503165 NA MeJP NA NA +MJ097973 Jujubogenin; 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?2)]-?-L-arabinopyranoside] C47H76O18 928.503165 NA MeJP NA NA +MJ097974 Jujubogenin; 3-O-[?-D-Glucopyranosyl-(1?3)-[?-L-arabinofuranosyl-(1?2)]-?-D-glucopyranoside] C47H76O18 928.503165 NA MeJP NA NA +PJ085245 APPFRRW C45H64N14O8 928.5032 NA PeJP NA NA +PJ085246 TTTLLLMH C41H72N10O12S 928.5052 NA PeJP NA NA +MJ097975 Prenylagaramide B C49H68N8O10 928.50584 NA MeJP NA NA +PJ085247 PVLKFYY C49H68N8O10 928.5059 NA PeJP NA NA +PJ085248 GNDRRRR C34H64N20O11 928.5064 NA PeJP NA NA +PJ085249 APLMRRW C42H68N14O8S 928.5066 NA PeJP NA NA +C07548 Atracurium C53H72N2O12 928.5085 NA KEGG NA NA +PJ085250 VLQEERR C38H68N14O13 928.5091 NA PeJP NA NA +PJ085251 VLLKMYY C46H72N8O10S 928.5092 NA PeJP NA NA +PJ085252 PPPVLLMY C46H72N8O10S 928.5093 NA PeJP NA NA +PJ085253 VKKMMHR C39H72N14O8S2 928.5099 NA PeJP NA NA +PJ085254 QQRRRW C39H64N18O9 928.5104 NA PeJP NA NA +PJ085255 ALLLLEEE C42H72N8O15 928.5118 NA PeJP NA NA +PJ085256 PTLKERW C43H68N12O11 928.5131 NA PeJP NA NA +PJ085257 PCNKRRR C36H68N18O9S 928.5138 NA PeJP NA NA +PJ085258 KHFRRW C44H64N16O7 928.5144 NA PeJP NA NA +PJ085259 GPVLKEMR C40H72N12O11S 928.5165 NA PeJP NA NA +PJ085260 SPLLKWW C48H68N10O9 928.5171 NA PeJP NA NA +PJ085261 ALEERRR C37H68N16O12 928.5203 NA PeJP NA NA +PJ085262 AAPLLKMW C45H72N10O9S 928.5205 NA PeJP NA NA +PJ085263 APHHRRR C38H64N20O8 928.5217 NA PeJP NA NA +PJ085264 SPVLKKEE C41H72N10O14 928.523 NA PeJP NA NA +PJ085265 PPVVKKMM C42H76N10O9S2 928.5239 NA PeJP NA NA +PJ085266 GLLERRW C42H68N14O10 928.5243 NA PeJP NA NA +MJ097976 Cyanopeptolin B C46H72N8O12 928.526969 NA MeJP NA NA +PJ085267 PPVVLLEY C46H72N8O12 928.527 NA PeJP NA NA +PJ085268 PLKEMRR C39H72N14O10S 928.5277 NA PeJP NA NA +PJ085269 GVLLRWW C47H68N12O8 928.5284 NA PeJP NA NA +PJ085270 PTLLLLEM C43H76N8O12S 928.5304 NA PeJP NA NA +PJ085271 GQKERRR C36H68N18O11 928.5315 NA PeJP NA NA +PJ085272 GGAKERRR C36H68N18O11 928.5316 NA PeJP NA NA +PJ085273 PVLKMRW C44H72N12O8S 928.5317 NA PeJP NA NA +PJ085274 AALLKEER C40H72N12O13 928.5342 NA PeJP NA NA +PJ085275 GVQKRRW C41H68N16O9 928.5356 NA PeJP NA NA +PJ085276 LLLQKEW C45H72N10O11 928.5382 NA PeJP NA NA +PJ085277 GALLLKEW C45H72N10O11 928.5383 NA PeJP NA NA +PJ085278 PTLMRRR C38H72N16O9S 928.5389 NA PeJP NA NA +MJ097977 12,24:20,24-Diepoxydammarane-3,25-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl(1?3)]-?-D-glucopyranoside] C48H80O17 928.539551 NA MeJP NA NA +MJ097978 12-Oleanene-3,11,23,28-tetrol, 11-Me ether, 3-O-[?-D-xylopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C48H80O17 928.539551 NA MeJP NA NA +MJ097979 12-Oleanene-3,16,28-triol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C48H80O17 928.539551 NA MeJP NA NA +MJ097980 12-Oleanene-3,16,28-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C48H80O17 928.539551 NA MeJP NA NA +MJ097981 12-Oleanene-3,28-diol, 3-Glycoside C48H80O17 928.539551 NA MeJP NA NA +MJ097982 12-Ursene-3,21,28-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 21-O-?-D-glucopyranoside C48H80O17 928.539551 NA MeJP NA NA +MJ097983 20,24-Epoxydammarane-3,12,25-triol, 12-Ketone, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] C48H80O17 928.539551 NA MeJP NA NA +MJ097984 3,14,15,16-Tetrahydroxypregnan-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] C48H80O17 928.539551 NA MeJP NA NA +MJ097985 Eupha-7,24-diene-1,3,23-triol, 1,3-Di-O-?-D-glucopyranoside, 23-O-?-L-rhamnopyranoside C48H80O17 928.539551 NA MeJP NA NA +MJ097986 Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Cymaropyranosyl-(1?4)-3-O-methyl-?-D-galactopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranoside] C48H80O17 928.539551 NA MeJP NA NA +PJ085279 LLRRWW C46H68N14O7 928.5396 NA PeJP NA NA +PJ085280 APLLKKEM C42H76N10O11S 928.5416 NA PeJP NA NA +PJ085281 VLLKFFY C50H72N8O9 928.5423 NA PeJP NA NA +PJ085282 GTQRRRR C35H68N20O10 928.5428 NA PeJP NA NA +MJ097987 Cephalostatin 7 C54H76N2O11 928.544911 NA MeJP NA NA +MJ097988 Cephalostatin 9 C54H76N2O11 928.544911 NA MeJP NA NA +MJ097989 Ritterazine J C54H76N2O11 928.544911 NA MeJP NA NA +PJ085283 SSPTLLRR C39H72N14O12 928.5454 NA PeJP NA NA +PJ085284 VLKEERR C39H72N14O12 928.5455 NA PeJP NA NA +MJ097990 Patellin 4 C47H76N8O9S 928.545596 NA MeJP NA NA +PJ085285 PPVLLLMF C47H76N8O9S 928.5456 NA PeJP NA NA +PJ085286 QKRRRW C40H68N18O8 928.5468 NA PeJP NA NA +PJ085287 SLLLLLEE C43H76N8O14 928.5481 NA PeJP NA NA +PJ085288 PVLLLLMM C44H80N8O9S2 928.549 NA PeJP NA NA +PJ085289 VVLKERW C44H72N12O10 928.5495 NA PeJP NA NA +PJ085290 APTLLKMR C41H76N12O10S 928.5529 NA PeJP NA NA +PJ085291 ALLLKWW C49H72N10O8 928.5535 NA PeJP NA NA +MJ097991 Okadaic acid; 7-Hydroxy-2-methyl-2E,4E-heptadienoyl ester C52H80O14 928.554807 NA MeJP NA NA +PJ085292 SLLERRR C38H72N16O11 928.5567 NA PeJP NA NA +PJ085293 GLLLKKEE C42H76N10O13 928.5594 NA PeJP NA NA +PJ085294 SVLLRRW C43H72N14O9 928.5607 NA PeJP NA NA +PJ085295 PPTLLLLY C47H76N8O11 928.5634 NA PeJP NA NA +PJ085296 LLLQMRR C40H76N14O9S 928.5641 NA PeJP NA NA +PJ085297 VVLLLLEM C44H80N8O11S 928.5668 NA PeJP NA NA +PJ085298 GKKERRR C37H72N18O10 928.5679 NA PeJP NA NA +PJ085299 GTLLLKER C41H76N12O12 928.5706 NA PeJP NA NA +PJ085300 GVKKRRW C42H72N16O8 928.572 NA PeJP NA NA +PJ085301 LLLKKEW C46H76N10O10 928.5746 NA PeJP NA NA +PJ085302 VVLMRRR C39H76N16O8S 928.5753 NA PeJP NA NA +MJ097992 Calyculin A; O-Dephosphono C50H80N4O12 928.577274 NA MeJP NA NA +PJ085303 SPLLLKKM C43H80N10O10S 928.578 NA PeJP NA NA +PJ085304 GTKRRRR C36H72N20O9 928.5792 NA PeJP NA NA +PJ085305 GTTLLLRR C40H76N14O11 928.5818 NA PeJP NA NA +PJ085306 GALKKKER C40H76N14O11 928.5819 NA PeJP NA NA +PJ085307 KKRRRW C41H72N18O7 928.5832 NA PeJP NA NA +MJ097993 Magellanin C60H80O8 928.585319 NA MeJP NA NA +PJ085308 TLLLKRW C45H76N12O9 928.5859 NA PeJP NA NA +PJ085309 GVLLLKMR C42H80N12O9S 928.5892 NA PeJP NA NA +PJ085310 VDKKKRR C39H76N16O10 928.5931 NA PeJP NA NA +PJ085311 SVLLLKKE C43H80N10O12 928.5958 NA PeJP NA NA +PJ085312 ALKKKRW C44H76N14O8 928.5971 NA PeJP NA NA +PJ085313 PVVLLLLY C48H80N8O10 928.5998 NA PeJP NA NA +PJ085314 LLLKMRR C41H80N14O8S 928.6005 NA PeJP NA NA +PJ085315 TLLLLLLM C45H84N8O10S 928.6032 NA PeJP NA NA +PJ085316 SVKKRRR C38H76N18O9 928.6043 NA PeJP NA NA +PJ085317 SSLLLLKR C42H80N12O11 928.607 NA PeJP NA NA +PJ085318 APLLLKKF C47H80N10O9 928.611 NA PeJP NA NA +PJ085319 ALLLLKKM C44H84N10O9S 928.6144 NA PeJP NA NA +PJ085320 LKKKKER C41H80N14O10 928.6182 NA PeJP NA NA +PJ085321 VLKKKKW C46H80N12O8 928.6222 NA PeJP NA NA +PJ085322 TLKKKRR C40H80N16O9 928.6295 NA PeJP NA NA +PJ085323 TTLLLLKK C44H84N10O11 928.6321 NA PeJP NA NA +PJ085324 VVLLLLLF C49H84N8O9 928.6362 NA PeJP NA NA +PJ085325 ATLLKKKK C43H84N12O10 928.6434 NA PeJP NA NA +PJ085326 AAKKKKKK C42H84N14O9 928.6546 NA PeJP NA NA +MJ097994 34-Ethylhuratoxin; 5-Deoxy, 6,7-deepoxy, 6,7,26,27-tetradehydro, 20-tetracosanoyl C60H96O7 928.715605 NA MeJP NA NA +HMDB05463 TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C61H100O6 928.75201 http://www.hmdb.ca/metabolites/HMDB05463 HMDB NA NA +HMDB05463 TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C61H100O6 928.75201 HMDB05463 PFEM_hmdb_metabocards_official NA NA +HMDB05463 TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C61H100O6 928.752014 NA HMDB2010 NA NA +HMDB10488 TG(18:2(9Z,12Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C61H100O6 928.752014 NA HMDB2010 NA NA +HMDB10495 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] C61H100O6 928.752014 NA HMDB2010 NA NA +HMDB10505 TG(18:3(9Z,12Z,15Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C61H100O6 928.752014 NA HMDB2010 NA NA +HMDB10522 TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C61H100O6 928.752014 NA HMDB2010 NA NA +3868 vespa-like peptide from R, Erythraea FLPLLFGALSAILPKIF~ 929.06645 MH2+ Inhouse_peptide NA peptide +PJ085327 SCCCCCCCC C27H47N9O11S8 929.1161 NA PeJP NA NA +C00323 Caffeoyl-CoA C30H42N7O19P3S 929.1469 NA KEGG NA NA +MJ097995 Caffeoyl-CoA C30H42N7O19P3S 929.146902 NA MeJP NA NA +MetaCyc04324 caffeoyl-CoA [] C30H42N7O19P3S1 929.146902 NA metacyc NA NA +PJ085328 GSCCCCCDH C30H47N11O13S5 929.1959 NA PeJP NA NA +FL7AAAGL0039 Salvianin C42H41O24 929.19877 128508-42-9 knapsack NA NA +FL7AACGL0056 Cyanidin 3-(6''-p-coumarylglucoside)-5-4''',6'''-dimalonylglucoside) C42H41O24 929.19877 - knapsack NA NA +MetaCyc04325 salvianin [pelargonidin 3-O-(6-caffeoyl-β-D-glucoside) 5-O--(4,6-di-O-malonyl-β-D-glucoside);] C42H41O24 929.198777 NA metacyc NA NA +C12647 Salvianin C42H41O24 929.1988 NA KEGG NA NA +C12648 Transferred to D01221 C42H41O24 929.1988 NA KEGG NA NA +PJ085329 GPCCCCDDD C31H47N9O16S4 929.2024 NA PeJP NA NA +PJ085330 CCCCCQMH C31H51N11O10S6 929.2145 NA PeJP NA NA +PJ085331 CCNDDDDM C31H47N9O18S3 929.2202 NA PeJP NA NA +PJ085332 SPPCCCCCD C32H51N9O13S5 929.221 NA PeJP NA NA +MJ097996 Guiaflavine C40H42N4O22(+) 929.221244 NA MeJP NA NA +PJ085333 CCCCCCHR C30H51N13O9S6 929.2257 NA PeJP NA NA +PJ085334 GSCCCNNDD C30H47N11O17S3 929.2314 NA PeJP NA NA +PJ085335 GSSCCCCMH C31H51N11O12S5 929.2323 NA PeJP NA NA +PJ085336 GCCCDDEW C35H47N9O15S3 929.2354 NA PeJP NA NA +PJ085337 GSSCCDDDE C31H47N9O20S2 929.2379 NA PeJP NA NA +PJ085338 GSPCCCDDM C32H51N9O15S4 929.2388 NA PeJP NA NA +PJ085339 APPCCCCCM C33H55N9O10S6 929.2397 NA PeJP NA NA +PJ085340 SSSTCCCCH C31H51N11O14S4 929.25 NA PeJP NA NA +PJ085341 CCCDDWW C39H47N9O12S3 929.2507 NA PeJP NA NA +PJ085342 CCCCCKMH C32H55N11O9S6 929.2509 NA PeJP NA NA +PJ085343 SSCCDDDW C35H47N9O17S2 929.2532 NA PeJP NA NA +PJ085344 SPCCCCEW C36H51N9O12S4 929.254 NA PeJP NA NA +PJ085345 SSSSCDDDD C31H47N9O22S 929.2557 NA PeJP NA NA +PJ085346 SCNDDDMM C32H51N9O17S3 929.2565 NA PeJP NA NA +PJ085347 GGSCDDDMM C32H51N9O17S3 929.2566 NA PeJP NA NA +PJ085348 PCCCNEMM C33H55N9O12S5 929.2574 NA PeJP NA NA +PJ085349 CCCCNNDR C30H51N13O13S4 929.2613 NA PeJP NA NA +PJ085350 GCCCNNMW C35H51N11O11S4 929.2653 NA PeJP NA NA +PJ085351 SCCCDDER C31H51N11O16S3 929.2678 NA PeJP NA NA +PJ085352 GPCCCCCNK C32H55N11O11S5 929.2686 NA PeJP NA NA +PJ085353 PCCCCDMR C32H55N11O11S5 929.2687 NA PeJP NA NA +MetaCyc04326 5-formyl-tetrahydrosarcinapterin [5-formyl-H4SPT;] C36H48N7O20P1 929.269174 NA metacyc NA NA +PJ085354 GCNDDDEY C35H47N9O19S 929.2709 NA PeJP NA NA +PJ085355 GSCCDEMW C36H51N9O14S3 929.2718 NA PeJP NA NA +PJ085356 GPCCCMMW C37H55N9O9S5 929.2727 NA PeJP NA NA +PJ085357 GSSSCDDEM C32H51N9O19S2 929.2743 NA PeJP NA NA +PJ085358 GCNDEMMM C33H55N9O14S4 929.2752 NA PeJP NA NA +PJ085359 SCCNDDHH C33H47N13O15S2 929.2756 NA PeJP NA NA +PJ085360 GGSCCDDHH C33H47N13O15S2 929.2757 NA PeJP NA NA +PJ085361 CCCEFYY C41H51N7O12S3 929.2758 NA PeJP NA NA +PJ085362 PCCCCQHH C34H51N13O10S4 929.2765 NA PeJP NA NA +PJ085363 PCNDDDDH C34H47N11O18S 929.2822 NA PeJP NA NA +PJ085364 SSCCCNQW C35H51N11O13S3 929.283 NA PeJP NA NA +PJ085365 GGGGGGPCCCY C35H51N11O13S3 929.2831 NA PeJP NA NA +PJ085366 SSSSCCNNE C31H51N11O18S2 929.2855 NA PeJP NA NA +PJ085367 CNDDDYW C39H47N9O16S 929.2862 NA PeJP NA NA +PJ085368 GCCDDMMR C32H55N11O13S4 929.2864 NA PeJP NA NA +PJ085369 SCCDMWW C40H51N9O11S3 929.2871 NA PeJP NA NA +PJ085370 SSNDDDDY C35H47N9O21 929.2887 NA PeJP NA NA +PJ085371 SPCCNDEY C36H51N9O16S2 929.2895 NA PeJP NA NA +PJ085372 SSSCDDMW C36H51N9O16S2 929.2896 NA PeJP NA NA +PJ085373 CNDMMMW C37H55N9O11S4 929.2904 NA PeJP NA NA +PJ085374 SSSSSDDDM C32H51N9O21S 929.292 NA PeJP NA NA +PJ085375 SSNDDMMM C33H55N9O16S3 929.2929 NA PeJP NA NA +PJ085376 SCCEYYY C41H51N7O14S2 929.2936 NA PeJP NA NA +PJ085377 SPCCQMMM C34H59N9O11S5 929.2938 NA PeJP NA NA +PJ085378 GCCNEMHH C34H51N13O12S3 929.2943 NA PeJP NA NA +PJ085379 DDEEEMY C37H51N7O19S 929.2961 NA PeJP NA NA +PJ085380 SCCCNNMR C31H55N13O12S4 929.2976 NA PeJP NA NA +PJ085381 GGGGSCCCMR C31H55N13O12S4 929.2977 NA PeJP NA NA +PJ085382 GCCCNHFF C39H51N11O10S3 929.2983 NA PeJP NA NA +PJ085383 GNDDDEEH C34H47N11O20 929.2999 NA PeJP NA NA +PJ085384 EEEMMMM C35H59N7O14S4 929.3003 NA PeJP NA NA +PJ085385 GSSSSCCNW C35H51N11O15S2 929.3008 NA PeJP NA NA +PJ085386 CCCEMRW C36H55N11O10S4 929.3017 NA PeJP NA NA +PJ085387 GSSSSSSCND C31H51N11O20S 929.3033 NA PeJP NA NA +PJ085388 SSCCDEMR C32H55N11O15S3 929.3042 NA PeJP NA NA +PJ085389 GSPCCDYW C40H51N9O13S2 929.3048 NA PeJP NA NA +PJ085390 SPCCCMMR C33H59N11O10S5 929.305 NA PeJP NA NA +PJ085391 GCCCDHHR C33H51N15O11S3 929.3055 NA PeJP NA NA +PJ085392 ACCMMWW C41H55N9O8S4 929.3057 NA PeJP NA NA +PJ085393 GSNDDEMY C36H51N9O18S 929.3073 NA PeJP NA NA +PJ085394 GSSCEMMW C37H55N9O13S3 929.3082 NA PeJP NA NA +PJ085395 CMMMMHF C38H59N9O8S5 929.3091 NA PeJP NA NA +PJ085396 CCNMHHW C38H51N13O9S3 929.3095 NA PeJP NA NA +MJ097997 Perdeacyleuojaponin; 1,6-Dibenzoyl, 2,8,9,14-tetra-Ac C48H51NO18 929.310613 NA MeJP NA NA +MJ097998 Perdeacyleuojaponin; 1,9-Dibenzoyl, 2,6,8,14-tetra-Ac C48H51NO18 929.310613 NA MeJP NA NA +MJ097999 Perdeacylwilforine; 1,2-Dibenzoyl, 6,8,9,14-tetra-Ac C48H51NO18 929.310613 NA MeJP NA NA +MJ098000 Perdeacylwilforine; 2,6-Dibenzoyl, 1,8,9,14-tetra-Ac C48H51NO18 929.310613 NA MeJP NA NA +PJ085397 GSSSSDEMM C33H55N9O18S2 929.3107 NA PeJP NA NA +PJ085398 SNNNDDDH C33H47N13O19 929.3112 NA PeJP NA NA +PJ085399 ASCQEMMM C34H59N9O13S4 929.3115 NA PeJP NA NA +PJ085400 GSNEMMMM C34H59N9O13S4 929.3116 NA PeJP NA NA +PJ085401 SSCNDMHH C34H51N13O14S2 929.312 NA PeJP NA NA +PJ085402 GGGGGGPCCEH C34H51N13O14S2 929.3121 NA PeJP NA NA +PJ085403 GCMMYYY C42H55N7O11S3 929.3122 NA PeJP NA NA +PJ085404 PCCCCKHH C35H55N13O9S4 929.3129 NA PeJP NA NA +PJ085405 DEEEMMF C38H55N7O16S2 929.3147 NA PeJP NA NA +PJ085406 NDDDEHW C38H47N11O17 929.3152 NA PeJP NA NA +PJ085407 GSSSCCCQR C31H55N13O14S3 929.3154 NA PeJP NA NA +PJ085408 CCNNQYW C39H51N11O12S2 929.316 NA PeJP NA NA +PJ085409 GGGACCNYW C39H51N11O12S2 929.3161 NA PeJP NA NA +PJ085410 SSCNNNEY C35H51N11O17S 929.3185 NA PeJP NA NA +PJ085411 GSCDDDRY C35H51N11O17S 929.3186 NA PeJP NA NA +PJ085412 SSCCCNKW C36H55N11O12S3 929.3194 NA PeJP NA NA +PJ085413 GCCEFWW C44H51N9O10S2 929.3201 NA PeJP NA NA +PJ085414 SSSSSCNQM C32H55N11O17S2 929.3219 NA PeJP NA NA +PJ085415 SNDDMYW C40H51N9O15S 929.3226 NA PeJP NA NA +PJ085416 GSCDMMMR C33H59N11O12S4 929.3228 NA PeJP NA NA +PJ085417 SSCMMWW C41H55N9O10S3 929.3234 NA PeJP NA NA +PJ085418 GGPPCCCFF C41H55N9O10S3 929.3235 NA PeJP NA NA +PJ085419 SSSNDEEY C36H51N9O20 929.3251 NA PeJP NA NA +PJ085420 SSSSDMMW C37H55N9O15S2 929.3259 NA PeJP NA NA +PJ085421 GGGGEEMMY C37H55N9O15S2 929.326 NA PeJP NA NA +PJ085422 GCDFYYY C45H51N7O13S 929.3266 NA PeJP NA NA +PJ085423 SNMMMMW C38H59N9O10S4 929.3268 NA PeJP NA NA +PJ085424 GSTCCHHW C38H51N13O11S2 929.3273 NA PeJP NA NA +PJ085425 SSSSSSEEM C33H55N9O20S 929.3284 NA PeJP NA NA +PJ085426 PDDEEYY C41H51N7O18 929.3291 NA PeJP NA NA +PJ085427 SSSQEMMM C34H59N9O15S3 929.3293 NA PeJP NA NA +PJ085428 GSSSSCEHH C34H51N13O16S 929.3298 NA PeJP NA NA +PJ085429 STCMYYY C42H55N7O13S2 929.3299 NA PeJP NA NA +PJ085430 QQMMMMM C35H63N9O10S5 929.3302 NA PeJP NA NA +PJ085431 GDDDHWW C42H47N11O14 929.3304 NA PeJP NA NA +PJ085432 GCCCNQFR C35H55N13O11S3 929.3307 NA PeJP NA NA +PJ085433 TEEEEMY C38H55N7O18S 929.3325 NA PeJP NA NA +PJ085434 SSSSSCCNR C31H55N13O16S2 929.3331 NA PeJP NA NA +PJ085435 GGSSSSSCCR C31H55N13O16S2 929.3332 NA PeJP NA NA +PJ085436 PEEMMMY C39H59N7O13S3 929.3333 NA PeJP NA NA +PJ085437 GSSCNNYW C39H51N11O14S 929.3338 NA PeJP NA NA +PJ085438 SCCCCQKR C32H59N13O11S4 929.334 NA PeJP NA NA +PJ085439 PCCCRYW C40H55N11O9S3 929.3347 NA PeJP NA NA +PJ085440 CCFWWW C48H51N9O7S2 929.3353 NA PeJP NA NA +PJ085441 GSSSSNNDY C35H51N11O19 929.3363 NA PeJP NA NA +PJ085442 CNDEMRY C36H55N11O14S2 929.3372 NA PeJP NA NA +PJ085443 GSCEYWW C44H51N9O12S 929.3378 NA PeJP NA NA +PJ085444 TCCMMRW C37H59N11O9S4 929.338 NA PeJP NA NA +PJ085445 GCCCCKKW C37H59N11O9S4 929.3381 NA PeJP NA NA +PJ085446 CEMHHHH C37H51N15O10S2 929.3385 NA PeJP NA NA +PJ085447 GSSSSSSSNM C32H55N11O19S 929.3397 NA PeJP NA NA +PJ085448 GSSSDEYW C40H51N9O17 929.3403 NA PeJP NA NA +PJ085449 SSSCEMMR C33H59N11O14S3 929.3405 NA PeJP NA NA +PJ085450 GGGSSTCCKM C33H59N11O14S3 929.3406 NA PeJP NA NA +PJ085451 GCNNDDHR C33H51N15O15S 929.341 NA PeJP NA NA +PJ085452 GGGGGGGGGASCH C33H51N15O15S 929.3411 NA PeJP NA NA +PJ085453 GNEMMYW C41H55N9O12S2 929.3412 NA PeJP NA NA +PJ085454 CQMMMMR C34H63N11O9S5 929.3414 NA PeJP NA NA +PJ085455 GSCCMHHR C34H55N15O10S3 929.3419 NA PeJP NA NA +PJ085456 CCHHHFF C42H51N13O8S2 929.3425 NA PeJP NA NA +PJ085457 GSSQEEMY C37H55N9O17S 929.3437 NA PeJP NA NA +PJ085458 GSDYYYY C45H51N7O15 929.3443 NA PeJP NA NA +PJ085459 GSSTMMMW C38H59N9O12S3 929.3446 NA PeJP NA NA +PJ085460 SSSSCHHW C38H51N13O13S 929.345 NA PeJP NA NA +PJ085461 GGGGNDMHW C38H51N13O13S 929.3451 NA PeJP NA NA +PJ085462 GCMFFYY C46H55N7O10S2 929.3452 NA PeJP NA NA +PJ085463 GSSSTTEMM C34H59N9O17S2 929.3471 NA PeJP NA NA +PJ085464 SSSSSSDHH C34H51N13O18 929.3475 NA PeJP NA NA +PJ085465 GSDDDEHR C34H51N13O18 929.3476 NA PeJP NA NA +PJ085466 PDEEMFY C42H55N7O15S 929.3477 NA PeJP NA NA +PJ085467 GSDKMMMM C35H63N9O12S4 929.3479 NA PeJP NA NA +PJ085468 CCDDRRY C35H55N13O13S2 929.3484 NA PeJP NA NA +PJ085469 SPCDHWW C43H51N11O11S 929.3491 NA PeJP NA NA +PJ085470 VEEEMMY C39H59N7O15S2 929.3511 NA PeJP NA NA +PJ085471 NNNNEYY C39H51N11O16 929.3515 NA PeJP NA NA +PJ085472 SNEEEHW C39H51N11O16 929.3516 NA PeJP NA NA +PJ085473 GSSSCCCKR C32H59N13O13S3 929.3518 NA PeJP NA NA +PJ085474 GCDMRYW C40H55N11O11S2 929.3524 NA PeJP NA NA +PJ085475 GGGGPPPCCW C40H55N11O11S2 929.3525 NA PeJP NA NA +PJ085476 CCMMMRR C33H63N13O8S5 929.3527 NA PeJP NA NA +PJ085477 SCYWWW C48H51N9O9S 929.3531 NA PeJP NA NA +PJ085478 GSSDDMRY C36H55N11O16S 929.3549 NA PeJP NA NA +PJ085479 GGAAEEEMH C36H55N11O16S 929.355 NA PeJP NA NA +PJ085480 SSSDYWW C44H51N9O14 929.3556 NA PeJP NA NA +PJ085481 GPTCCMRY C37H59N11O11S3 929.3558 NA PeJP NA NA +PJ085482 GPCNEHHH C37H51N15O12S 929.3563 NA PeJP NA NA +PJ085483 NMMYWW C45H55N9O9S2 929.3564 NA PeJP NA NA +PJ085484 GGMMYWW C45H55N9O9S2 929.3565 NA PeJP NA NA +PJ085485 SSSSSSSSSQ C32H55N11O21 929.3574 NA PeJP NA NA +PJ085486 SSSSSCNKM C33H59N11O16S2 929.3583 NA PeJP NA NA +PJ085487 GSSSNNNNH C33H51N15O17 929.3588 NA PeJP NA NA +PJ085488 SSQEMYW C41H55N9O14S 929.3589 NA PeJP NA NA +PJ085489 GGSTEMYW C41H55N9O14S 929.359 NA PeJP NA NA +PJ085490 GSSMMMMR C34H63N11O11S4 929.3592 NA PeJP NA NA +PJ085491 SSTCCHHR C34H55N15O12S2 929.3596 NA PeJP NA NA +PJ085492 GGSPCCNHR C34H55N15O12S2 929.3597 NA PeJP NA NA +PJ085493 PCCKMYW C42H59N9O9S3 929.3598 NA PeJP NA NA +PJ085494 GCNQHWW C42H51N13O10S 929.3603 NA PeJP NA NA +PJ085495 SSSTQEEY C37H55N9O19 929.3614 NA PeJP NA NA +PJ085496 GGSSTTEEY C37H55N9O19 929.3615 NA PeJP NA NA +PJ085497 SSSTTMMW C38H59N9O14S2 929.3623 NA PeJP NA NA +PJ085498 SDDDHRW C38H51N13O15 929.3628 NA PeJP NA NA +PJ085499 QMYYYY C46H55N7O12S 929.363 NA PeJP NA NA +PJ085500 TCKMMMW C39H63N9O9S4 929.3632 NA PeJP NA NA +PJ085501 PCCEHRW C39H55N13O10S2 929.3637 NA PeJP NA NA +PJ085502 SSSSTTTEM C34H59N9O19S 929.3648 NA PeJP NA NA +PJ085503 PTEEEYY C42H55N7O17 929.3655 NA PeJP NA NA +PJ085504 SSSKEMMM C35H63N9O14S3 929.3657 NA PeJP NA NA +PJ085505 SSSCNNRY C35H55N13O15S 929.3662 NA PeJP NA NA +PJ085506 PPEMMYY C43H59N7O12S2 929.3663 NA PeJP NA NA +PJ085507 QKMMMMM C36H67N9O9S5 929.3666 NA PeJP NA NA +PJ085508 GSEEHWW C43H51N11O13 929.3668 NA PeJP NA NA +PJ085509 CCDMFRR C36H59N13O10S3 929.367 NA PeJP NA NA +PJ085510 GGGCCCKFR C36H59N13O10S3 929.3671 NA PeJP NA NA +PJ085511 APCMHWW C44H55N11O8S2 929.3677 NA PeJP NA NA +PJ085512 LEEMMMF C40H63N7O12S3 929.3697 NA PeJP NA NA +PJ085513 SSCERYW C40H55N11O13S 929.3702 NA PeJP NA NA +PJ085514 SCCCCKKR C33H63N13O10S4 929.3704 NA PeJP NA NA +PJ085515 NDFYWW C48H51N9O11 929.3708 NA PeJP NA NA +PJ085516 GCMMFRW C41H59N11O8S3 929.3711 NA PeJP NA NA +PJ085517 PCNHHHW C41H51N15O9S 929.3715 NA PeJP NA NA +PJ085518 SSSSDERY C36H55N11O18 929.3727 NA PeJP NA NA +PJ085519 SNEMMRY C37H59N11O13S2 929.3736 NA PeJP NA NA +PJ085520 GNNNNNHF C37H51N15O14 929.374 NA PeJP NA NA +PJ085521 GGGGGGGGGNHF C37H51N15O14 929.3741 NA PeJP NA NA +PJ085522 GSTMYWW C45H55N9O11S 929.3742 NA PeJP NA NA +PJ085523 LMMMMHH C38H63N11O8S4 929.3744 NA PeJP NA NA +PJ085524 CCQHHFR C38H55N15O9S2 929.3749 NA PeJP NA NA +PJ085525 GSSSSSSTCK C33H59N11O18S 929.3761 NA PeJP NA NA +PJ085526 GSSTTEYW C41H55N9O16 929.3767 NA PeJP NA NA +PJ085527 SSSTMMMR C34H63N11O13S3 929.3769 NA PeJP NA NA +PJ085528 CDDEHRR C34H55N15O14S 929.3774 NA PeJP NA NA +PJ085529 GDKMMYW C42H59N9O11S2 929.3776 NA PeJP NA NA +PJ085530 CKMMMMR C35H67N11O8S5 929.3778 NA PeJP NA NA +PJ085531 SSNNHWW C42H51N13O12 929.378 NA PeJP NA NA +PJ085532 GGSSNHWW C42H51N13O12 929.3781 NA PeJP NA NA +PJ085533 GCFFFFY C50H55N7O9S 929.3782 NA PeJP NA NA +PJ085534 GSSKEEMY C38H59N9O16S 929.3801 NA PeJP NA NA +PJ085535 GTTYYYY C46H55N7O14 929.3807 NA PeJP NA NA +PJ085536 VQQMMMY C39H63N9O11S3 929.3809 NA PeJP NA NA +PJ085537 GGLQMMMY C39H63N9O11S3 929.381 NA PeJP NA NA +PJ085538 GDEMHRW C39H55N13O12S 929.3814 NA PeJP NA NA +PJ085539 SEHWWW C47H51N11O10 929.3821 NA PeJP NA NA +PJ085540 SSSSSTLMM C35H63N9O16S2 929.3834 NA PeJP NA NA +PJ085541 GSSEEEHR C35H55N13O17 929.3839 NA PeJP NA NA +PJ085542 GGGGGPDEER C35H55N13O17 929.384 NA PeJP NA NA +PJ085543 PVEEMYY C43H59N7O14S 929.3841 NA PeJP NA NA +PJ085544 GTTKMMMM C36H67N9O11S4 929.3843 NA PeJP NA NA +PJ085545 SCDMRRY C36H59N13O12S2 929.3848 NA PeJP NA NA +PJ085546 NDDHHHR C36H51N17O13 929.3853 NA PeJP NA NA +PJ085547 AAEMHWW C44H55N11O10S 929.3854 NA PeJP NA NA +PJ085548 GVDMHWW C44H55N11O10S 929.3855 NA PeJP NA NA +PJ085549 TTQEEHW C40H55N11O15 929.3879 NA PeJP NA NA +PJ085550 SDKEEHW C40H55N11O15 929.388 NA PeJP NA NA +PJ085551 GSMMRYW C41H59N11O10S2 929.3888 NA PeJP NA NA +PJ085552 GQEHHHW C41H51N15O11 929.3893 NA PeJP NA NA +PJ085553 NMFFWW C49H55N9O8S 929.3895 NA PeJP NA NA +PJ085554 GSSTEMRY C37H59N11O15S 929.3913 NA PeJP NA NA +PJ085555 SSTTYWW C45H55N9O13 929.392 NA PeJP NA NA +PJ085556 AQMMMRY C38H63N11O10S3 929.3922 NA PeJP NA NA +PJ085557 SCNQHRW C38H55N15O11S 929.3926 NA PeJP NA NA +PJ085558 GGSCQHRW C38H55N15O11S 929.3927 NA PeJP NA NA +PJ085559 PCCKFFW C46H59N9O8S2 929.3928 NA PeJP NA NA +PJ085560 SSSSSSSSSK C33H59N11O20 929.3938 NA PeJP NA NA +PJ085561 SSSSTCCKK C34H63N11O15S2 929.3947 NA PeJP NA NA +PJ085562 GNNNQQQQ C34H55N15O16 929.3951 NA PeJP NA NA +PJ085563 SSSNNEHR C34H55N15O16 929.3952 NA PeJP NA NA +PJ085564 SSKEMYW C42H59N9O13S 929.3953 NA PeJP NA NA +PJ085565 GPPVDEMW C42H59N9O13S 929.3954 NA PeJP NA NA +PJ085566 SCCCKKKM C35H67N11O10S4 929.3956 NA PeJP NA NA +PJ085567 QFFYYY C50H55N7O11 929.396 NA PeJP NA NA +PJ085568 GGGGGAMMHR C35H59N15O11S2 929.3961 NA PeJP NA NA +PJ085569 GKMMMFW C43H63N9O8S3 929.3962 NA PeJP NA NA +PJ085570 DMHRWW C43H55N13O9S 929.3967 NA PeJP NA NA +PJ085571 SSSTKEEY C38H59N9O18 929.3978 NA PeJP NA NA +PJ085572 GPLQEEEE C38H59N9O18 929.3979 NA PeJP NA NA +PJ085573 TQKEMMY C39H63N9O13S2 929.3987 NA PeJP NA NA +PJ085574 SSEEHRW C39H55N13O14 929.3992 NA PeJP NA NA +PJ085575 KMYYYY C47H59N7O11S 929.3993 NA PeJP NA NA +PJ085576 PPPMYYY C47H59N7O11S 929.3994 NA PeJP NA NA +PJ085577 PTCMHRW C40H59N13O9S2 929.4001 NA PeJP NA NA +PJ085578 PEHHHHH C40H51N17O10 929.4005 NA PeJP NA NA +PJ085579 CLHWWW C48H55N11O7S 929.4007 NA PeJP NA NA +PJ085580 SSTTTTTTM C35H63N9O18S 929.4012 NA PeJP NA NA +PJ085581 VVEEEYY C43H59N7O16 929.4019 NA PeJP NA NA +PJ085582 STTTKMMM C36H67N9O13S3 929.4021 NA PeJP NA NA +PJ085583 TQEEMHR C36H59N13O14S 929.4025 NA PeJP NA NA +PJ085584 GATEEMHR C36H59N13O14S 929.4026 NA PeJP NA NA +PJ085585 PLEMMFY C44H63N7O11S2 929.4027 NA PeJP NA NA +PJ085586 KKMMMMM C37H71N9O8S5 929.403 NA PeJP NA NA +PJ085587 ATTEHWW C44H55N11O12 929.4032 NA PeJP NA NA +PJ085588 ACMMRRY C37H63N13O9S3 929.4034 NA PeJP NA NA +PJ085589 GSPCHHHR C37H55N17O10S 929.4039 NA PeJP NA NA +PJ085590 QHHHWW C45H51N15O8 929.4045 NA PeJP NA NA +PJ085591 GAHHHWW C45H51N15O8 929.4046 NA PeJP NA NA +PJ085592 LLEMMMY C41H67N7O11S3 929.4061 NA PeJP NA NA +PJ085593 GNNNNNQR C33H55N17O15 929.4064 NA PeJP NA NA +PJ085594 SSTMRYW C41H59N11O12S 929.4066 NA PeJP NA NA +PJ085595 VNYYWW C49H55N9O10 929.4072 NA PeJP NA NA +PJ085596 CNNMHRR C34H59N17O10S2 929.4073 NA PeJP NA NA +PJ085597 CLHHHHF C42H55N15O8S 929.4079 NA PeJP NA NA +PJ085598 SSSTTERY C37H59N11O17 929.4091 NA PeJP NA NA +PJ085599 SDKMMRY C38H63N11O12S2 929.4099 NA PeJP NA NA +PJ085600 GGGSCKKMY C38H63N11O12S2 929.41 NA PeJP NA NA +PJ085601 GSSSNHRW C38H55N15O13 929.4104 NA PeJP NA NA +PJ085602 PPVDMWW C46H59N9O10S 929.4106 NA PeJP NA NA +PJ085603 CCKHHFR C39H59N15O8S2 929.4113 NA PeJP NA NA +PJ085604 SSSSTLYW C42H59N9O15 929.4131 NA PeJP NA NA +PJ085605 SDEMHRR C35H59N15O13S 929.4138 NA PeJP NA NA +PJ085606 ATKMMYW C43H63N9O10S2 929.414 NA PeJP NA NA +PJ085607 GPNDRWW C43H55N13O11 929.4144 NA PeJP NA NA +PJ085608 GGGPDRWW C43H55N13O11 929.4145 NA PeJP NA NA +PJ085609 PCMMHRR C36H63N15O8S3 929.4147 NA PeJP NA NA +PJ085610 GTTTKEMY C39H63N9O15S 929.4165 NA PeJP NA NA +PJ085611 PPVEYYY C47H59N7O13 929.4171 NA PeJP NA NA +PJ085612 VQKMMMY C40H67N9O10S3 929.4173 NA PeJP NA NA +PJ085613 GGPPPLMMM C40H67N9O10S3 929.4174 NA PeJP NA NA +PJ085614 ATEMHRW C40H59N13O11S 929.4178 NA PeJP NA NA +PJ085615 PQQWWW C48H55N11O9 929.4185 NA PeJP NA NA +PJ085616 PDEEERR C36H59N13O16 929.4203 NA PeJP NA NA +PJ085617 GGGGGGGGGGVLE C36H59N13O16 929.4204 NA PeJP NA NA +MJ098001 Nodulapeptin B; S-Oxide C44H63N7O13S 929.420455 NA MeJP NA NA +PJ085618 VLEEMFY C44H63N7O13S 929.4205 NA PeJP NA NA +PJ085619 SSMMRRY C37H63N13O11S2 929.4212 NA PeJP NA NA +PJ085620 SQEHHHR C37H55N17O12 929.4216 NA PeJP NA NA +PJ085621 TNEHHHR C37H55N17O12 929.4217 NA PeJP NA NA +PJ085622 GTLMHWW C45H59N11O9S 929.4218 NA PeJP NA NA +PJ085623 HFFFFW C53H55N9O7 929.4225 NA PeJP NA NA +PJ085624 PVDEERW C41H59N11O14 929.4243 NA PeJP NA NA +PJ085625 GGGGAPVTEW C41H59N11O14 929.4244 NA PeJP NA NA +PJ085626 GSSCQHRR C34H59N17O12S 929.425 NA PeJP NA NA +PJ085627 GGGGGGGPCRR C34H59N17O12S 929.4251 NA PeJP NA NA +PJ085628 PTKMMHW C42H63N11O9S2 929.4252 NA PeJP NA NA +PJ085629 GNNHFRW C42H55N15O10 929.4257 NA PeJP NA NA +PJ085630 SSSSLMRY C38H63N11O14S 929.4277 NA PeJP NA NA +PJ085631 SSPKYYW C46H59N9O12 929.4283 NA PeJP NA NA +PJ085632 APLEEWW C46H59N9O12 929.4284 NA PeJP NA NA +PJ085633 AKMMMRY C39H67N11O9S3 929.4286 NA PeJP NA NA +PJ085634 SCNKHRW C39H59N15O10S 929.429 NA PeJP NA NA +PJ085635 GGSCKHRW C39H59N15O10S 929.4291 NA PeJP NA NA +PJ085636 APPHHWW C47H55N13O8 929.4297 NA PeJP NA NA +PJ085637 ASPNDDRR C35H59N15O15 929.4315 NA PeJP NA NA +PJ085638 GSPNDERR C35H59N15O15 929.4316 NA PeJP NA NA +PJ085639 TTTKMYW C43H63N9O12S 929.4317 NA PeJP NA NA +PJ085640 KFFYYY C51H59N7O10 929.4324 NA PeJP NA NA +PJ085641 CFRRYW C44H59N13O8S 929.4331 NA PeJP NA NA +PJ085642 STTTTKEY C39H63N9O17 929.4342 NA PeJP NA NA +PJ085643 TKKEMMY C40H67N9O12S2 929.4351 NA PeJP NA NA +PJ085644 TTTEHRW C40H59N13O13 929.4356 NA PeJP NA NA +PJ085645 PPLMFYY C48H63N7O10S 929.4357 NA PeJP NA NA +PJ085646 PLEMFFF C48H63N7O10S 929.4358 NA PeJP NA NA +PJ085647 GLMMHRW C41H63N13O8S2 929.4364 NA PeJP NA NA +PJ085648 GTHHHRW C41H55N17O9 929.4369 NA PeJP NA NA +PJ085649 TLLEEYY C44H63N7O15 929.4382 NA PeJP NA NA +PJ085650 TKEEMHR C37H63N13O13S 929.4389 NA PeJP NA NA +PJ085651 AAAAPNEMR C37H63N13O13S 929.439 NA PeJP NA NA +PJ085652 PLLMMYY C45H67N7O10S2 929.4391 NA PeJP NA NA +PJ085653 STTLHWW C45H59N11O11 929.4396 NA PeJP NA NA +PJ085654 PKMMMHR C38H67N13O8S3 929.4398 NA PeJP NA NA +PJ085655 VNMHHHR C38H59N17O9S 929.4403 NA PeJP NA NA +PJ085656 KHHHWW C46H55N15O7 929.4409 NA PeJP NA NA +PJ085657 SSSSNHRR C34H59N17O14 929.4428 NA PeJP NA NA +PJ085658 AVQMRYY C42H63N11O11S 929.4429 NA PeJP NA NA +PJ085659 SLKEMHW C42H63N11O11S 929.443 NA PeJP NA NA +PJ085660 TKFYWW C50H59N9O9 929.4436 NA PeJP NA NA +PJ085661 GACCKHRR C35H63N17O9S2 929.4437 NA PeJP NA NA +PJ085662 STTTTTRY C38H63N11O16 929.4454 NA PeJP NA NA +PJ085663 GSSSSSKKY C38H63N11O16 929.4455 NA PeJP NA NA +PJ085664 TTKMMRY C39H67N11O11S2 929.4463 NA PeJP NA NA +PJ085665 GGGGPPVKMM C39H67N11O11S2 929.4464 NA PeJP NA NA +PJ085666 SPNDRRW C39H59N15O12 929.4468 NA PeJP NA NA +PJ085667 PPTLMWW C47H63N9O9S 929.447 NA PeJP NA NA +MJ098002 Liposidomycin; Liposidomycin B-I, Desulfo C42H67N5O18 929.44811 NA MeJP NA NA +MJ098003 Liposidomycin; Liposidomycin Y-I, 5,6,8,9-Tetrahydro, desulfo C42H67N5O18 929.44811 NA MeJP NA NA +PJ085668 PLKEEEW C43H63N9O14 929.4495 NA PeJP NA NA +PJ085669 TTEMHRR C36H63N15O12S 929.4502 NA PeJP NA NA +PJ085670 VQKMMFF C44H67N9O9S2 929.4503 NA PeJP NA NA +PJ085671 GPPVLMMW C44H67N9O9S2 929.4504 NA PeJP NA NA +PJ085672 GPTQRWW C44H59N13O10 929.4508 NA PeJP NA NA +PJ085673 GMHHHRR C37H59N19O8S 929.4515 NA PeJP NA NA +PJ085674 SSTTLKMY C40H67N9O14S 929.4528 NA PeJP NA NA +PJ085675 SPPLKEEM C40H67N9O14S 929.4529 NA PeJP NA NA +PJ085676 PVLEFYY C48H63N7O12 929.4535 NA PeJP NA NA +PJ085677 VKKMMMY C41H71N9O9S3 929.4537 NA PeJP NA NA +PJ085678 STLMHRW C41H63N13O10S 929.4542 NA PeJP NA NA +PJ085679 PQKWWW C49H59N11O8 929.4548 NA PeJP NA NA +PJ085680 GAPKWWW C49H59N11O8 929.4549 NA PeJP NA NA +PJ085681 SSTTLEHR C37H63N13O15 929.4567 NA PeJP NA NA +PJ085682 VLLEMYY C45H67N7O12S 929.4569 NA PeJP NA NA +PJ085683 VKEMMHR C38H67N13O10S2 929.4576 NA PeJP NA NA +PJ085684 GNNQRRW C38H59N17O11 929.458 NA PeJP NA NA +PJ085685 GGGGGQRRW C38H59N17O11 929.4581 NA PeJP NA NA +PJ085686 KMFRYW C46H63N11O8S 929.4582 NA PeJP NA NA +PJ085687 PTLEERW C42H63N11O13 929.4607 NA PeJP NA NA +PJ085688 PCNERRR C35H63N17O11S 929.4614 NA PeJP NA NA +PJ085689 PPLMMRW C43H67N11O8S2 929.4616 NA PeJP NA NA +7577 ACE inhibitor from chicken muscle FKGRYYP 929.462 antioxidative Inhouse_peptide NA peptide +PJ085690 EHFRRW C43H59N15O9 929.4621 NA PeJP NA NA +PJ085691 SSSCKKKY C39H67N11O13S 929.4641 NA PeJP NA NA +PJ085692 SPLLEWW C47H63N9O11 929.4647 NA PeJP NA NA +PJ085693 AAPPLEFW C47H63N9O11 929.4648 NA PeJP NA NA +40 Creatine kinase FKGRYYP 929.465 celiac toxic Inhouse_peptide NA peptide +PJ085694 GPQMRRW C40H63N15O9S 929.4654 NA PeJP NA NA +PJ085695 VHFRWW C48H59N13O7 929.4661 NA PeJP NA NA +PJ085696 VNQEERR C36H63N15O14 929.4679 NA PeJP NA NA +PJ085697 AAAAADERR C36H63N15O14 929.468 NA PeJP NA NA +PJ085698 AAPLLEMW C44H67N9O11S 929.4681 NA PeJP NA NA +PJ085699 PPLFFFY C52H63N7O9 929.4688 NA PeJP NA NA +PJ085700 STHHHRR C37H59N19O10 929.4693 NA PeJP NA NA +PJ085701 SPVLKEEE C40H67N9O16 929.4706 NA PeJP NA NA +PJ085702 PPVVKEMM C41H71N9O11S2 929.4715 NA PeJP NA NA +PJ085703 SPQKERW C41H63N13O12 929.4719 NA PeJP NA NA +PJ085704 PTNKERW C41H63N13O12 929.472 NA PeJP NA NA +PJ085705 PLLMFFY C49H67N7O9S 929.4721 NA PeJP NA NA +PJ085706 LLHHHHH C42H59N17O8 929.4733 NA PeJP NA NA +PJ085707 PLEEMRR C38H67N13O12S 929.4753 NA PeJP NA NA +PJ085708 GGGGGAAPKKM C38H67N13O12S 929.4754 NA PeJP NA NA +PJ085709 LLLMMFY C46H71N7O9S2 929.4755 NA PeJP NA NA +PJ085710 GPKKEWW C46H63N11O10 929.476 NA PeJP NA NA +PJ085711 GPCRRRW C39H63N17O8S 929.4767 NA PeJP NA NA +PJ085712 SQQQQRR C35H63N17O13 929.4791 NA PeJP NA NA +PJ085713 GQEERRR C35H63N17O13 929.4792 NA PeJP NA NA +PJ085714 PLQQKMW C43H67N11O10S 929.4793 NA PeJP NA NA +PJ085715 PVLEMRW C43H67N11O10S 929.4794 NA PeJP NA NA +PJ085716 PPVVFWW C51H63N9O8 929.48 NA PeJP NA NA +PJ085717 SSPLLEER C39H67N11O15 929.4818 NA PeJP NA NA +PJ085718 AALLEEER C39H67N11O15 929.4819 NA PeJP NA NA +PJ085719 SPPVLMMR C40H71N11O10S2 929.4827 NA PeJP NA NA +3416 ACE inhibitor PSKIKWGD 929.4829 ACE inhibitor Inhouse_peptide NA peptide +PJ085720 GVQERRW C40H63N15O11 929.4832 NA PeJP NA NA +PJ085721 PVVLMWW C48H67N9O8S 929.4834 NA PeJP NA NA +PJ085722 LLLQEEW C44H67N9O13 929.4859 NA PeJP NA NA +PJ085723 PNKEMRR C37H67N15O11S 929.4866 NA PeJP NA NA +PJ085724 VKKMMFF C45H71N9O8S2 929.4867 NA PeJP NA NA +PJ085725 GPTKRWW C45H63N13O9 929.4872 NA PeJP NA NA +PJ085726 SPLLLQEM C41H71N9O13S 929.4892 NA PeJP NA NA +PJ085727 APLLKEEM C41H71N9O13S 929.4893 NA PeJP NA NA +MJ098004 Anabaenopeptin G C49H67N7O11 929.489856 NA MeJP NA NA +MJ098005 Oscillamide H C49H67N7O11 929.489856 NA MeJP NA NA +PJ085728 PVLLYYY C49H67N7O11 929.4899 NA PeJP NA NA +PJ085729 GDDRRRR C34H63N19O12 929.4904 NA PeJP NA NA +PJ085730 PVNKMRW C42H67N13O9S 929.4906 NA PeJP NA NA +PJ085731 PKKWWW C50H63N11O7 929.4912 NA PeJP NA NA +PJ085732 VLEEERR C38H67N13O14 929.4931 NA PeJP NA NA +PJ085733 APPCKKMR C39H71N13O9S2 929.494 NA PeJP NA NA +PJ085734 QERRRW C39H63N17O10 929.4944 NA PeJP NA NA +PJ085735 VVLEERW C43H67N11O12 929.4971 NA PeJP NA NA +PJ085736 SPQMRRR C36H67N17O10S 929.4978 NA PeJP NA NA +PJ085737 VQRRWW C44H63N15O8 929.4984 NA PeJP NA NA +PJ085738 GGLRRWW C44H63N15O8 929.4985 NA PeJP NA NA +PJ085739 APTLLEMR C40H71N11O12S 929.5005 NA PeJP NA NA +PJ085740 ALLLEWW C48H67N9O10 929.5011 NA PeJP NA NA +PJ085741 GPKMRRW C41H67N15O8S 929.5018 NA PeJP NA NA +PJ085742 VNKEERR C37H67N15O13 929.5043 NA PeJP NA NA +PJ085743 GGGGGGGGAKKK C37H67N15O13 929.5044 NA PeJP NA NA +PJ085744 GPTLLLMW C45H71N9O10S 929.5045 NA PeJP NA NA +PJ085745 CKKKMHR C38H71N15O8S2 929.5052 NA PeJP NA NA +PJ085746 GLLLKEEE C41H71N9O15 929.507 NA PeJP NA NA +PJ085747 PPTLLKMM C42H75N9O10S2 929.5079 NA PeJP NA NA +PJ085748 SPKKERW C42H67N13O11 929.5083 NA PeJP NA NA +PJ085749 GAALKERW C42H67N13O11 929.5084 NA PeJP NA NA +PJ085750 LLLMFFF C50H71N7O8S 929.5085 NA PeJP NA NA +PJ085751 SPCRRRR C35H67N19O9S 929.509 NA PeJP NA NA +PJ085752 ARRRWW C43H63N17O7 929.5097 NA PeJP NA NA +PJ085753 AAPKKEMR C39H71N13O11S 929.5117 NA PeJP NA NA +PJ085754 SPVKKWW C47H67N11O9 929.5124 NA PeJP NA NA +PJ085755 NNDKKRR C36H67N17O12 929.5155 NA PeJP NA NA +PJ085756 GKEERRR C36H67N17O12 929.5156 NA PeJP NA NA +PJ085757 PLQKKMW C44H71N11O9S 929.5157 NA PeJP NA NA +PJ085758 GTLLLEER C40H71N11O14 929.5182 NA PeJP NA NA +PJ085759 GGGLLKKEE C40H71N11O14 929.5183 NA PeJP NA NA +PJ085760 GPLLLMMR C41H75N11O9S2 929.5191 NA PeJP NA NA +PJ085761 GVKERRW C41H67N15O10 929.5196 NA PeJP NA NA +PJ085762 SPPLLLQY C45H71N9O12 929.5222 NA PeJP NA NA +PJ085763 LLLKEEW C45H71N9O12 929.5223 NA PeJP NA NA +PJ085764 VLQQMRR C38H71N15O10S 929.5229 NA PeJP NA NA +PJ085765 PDKKMRR C38H71N15O10S 929.523 NA PeJP NA NA +PJ085766 AALKRWW C46H67N13O8 929.5236 NA PeJP NA NA +PJ085767 SPLLLKEM C42H75N9O12S 929.5256 NA PeJP NA NA +PJ085768 VLLLFYY C50H71N7O10 929.5263 NA PeJP NA NA +PJ085769 GTERRRR C35H67N19O11 929.5268 NA PeJP NA NA +PJ085770 PCLKKRW C43H71N13O8S 929.527 NA PeJP NA NA +PJ085771 LQKKEER C39H71N13O13 929.5295 NA PeJP NA NA +PJ085772 KKKKMMH C40H75N13O8S2 929.5303 NA PeJP NA NA +PJ085773 KERRRW C40H67N17O9 929.5308 NA PeJP NA NA +PJ085774 TLLLERW C44H71N11O11 929.5335 NA PeJP NA NA +PJ085775 SPKMRRR C37H71N17O9S 929.5342 NA PeJP NA NA +PJ085776 VKRRWW C45H67N15O7 929.5348 NA PeJP NA NA +PJ085777 GVLLLEMR C41H75N11O11S 929.5369 NA PeJP NA NA +PJ085778 SLLLLWW C49H71N9O9 929.5375 NA PeJP NA NA +PJ085779 VDKKERR C38H71N15O12 929.5407 NA PeJP NA NA +PJ085780 AALLLLMW C46H75N9O9S 929.5409 NA PeJP NA NA +PJ085781 TRRRRW C39H67N19O8 929.542 NA PeJP NA NA +PJ085782 SVLLLKEE C42H75N9O14 929.5434 NA PeJP NA NA +PJ085783 PVVLLKMM C43H79N9O9S2 929.5443 NA PeJP NA NA +PJ085784 ALKKERW C43H71N13O10 929.5447 NA PeJP NA NA +PJ085785 GVMRRRR C36H71N19O8S 929.5454 NA PeJP NA NA +PJ085786 LLLEMRR C40H75N13O10S 929.5481 NA PeJP NA NA +PJ085787 AVLKKWW C48H71N11O8 929.5487 NA PeJP NA NA +PJ085788 GLLKKWW C48H71N11O8 929.5488 NA PeJP NA NA +PJ085789 SVKERRR C37H71N17O11 929.5519 NA PeJP NA NA +PJ085790 GGGATKKRR C37H71N17O11 929.552 NA PeJP NA NA +PJ085791 VLLLMRW C45H75N11O8S 929.5521 NA PeJP NA NA +PJ085792 SSLLLLER C41H75N11O13 929.5546 NA PeJP NA NA +PJ085793 ATLKRRW C42H71N15O9 929.556 NA PeJP NA NA +PJ085794 MRRRRR C35H71N21O7S 929.5567 NA PeJP NA NA +PJ085795 ATTLLLLW C46H75N9O11 929.5586 NA PeJP NA NA +PJ085796 GAAPLLLLY C46H75N9O11 929.5587 NA PeJP NA NA +PJ085797 VLQKMRR C39H75N15O9S 929.5593 NA PeJP NA NA +PJ085798 ALLLLKEM C43H79N9O11S 929.562 NA PeJP NA NA +PJ085799 SSLRRRR C36H71N19O10 929.5632 NA PeJP NA NA +PJ085800 ATTILQKR C40H75N13O12 929.5658 NA PeJP NA NA +PJ085801 LKKKEER C40H75N13O12 929.5659 NA PeJP NA NA +PJ085802 APKFRRR C41H71N17O8 929.5672 NA PeJP NA NA +MJ098006 Antibiotic SUAM 20007 C44H79N7O14 929.5685 NA MeJP NA NA +PJ085803 VLKKKEW C45H75N11O10 929.5699 NA PeJP NA NA +PJ085804 ALKMRRR C38H75N17O8S 929.5706 NA PeJP NA NA +PJ085805 ATLLLLMR C42H79N11O10S 929.5733 NA PeJP NA NA +MJ098007 Ditekiren C50H75N9O8 929.57386 NA MeJP NA NA +PJ085806 TLKKERR C39H75N15O11 929.5771 NA PeJP NA NA +PJ085807 TTLLLLKE C43H79N9O13 929.5798 NA PeJP NA NA +PJ085808 SLLKKRW C44H75N13O9 929.5811 NA PeJP NA NA +PJ085809 AALLKKMR C41H79N13O9S 929.5845 NA PeJP NA NA +PJ085810 TTLKRRR C38H75N17O10 929.5883 NA PeJP NA NA +PJ085811 TTTLLLLR C42H79N11O12 929.591 NA PeJP NA NA +PJ085812 GKKKKRW C43H75N15O8 929.5923 NA PeJP NA NA +PJ085813 PVKKFRR C43H75N15O8 929.5924 NA PeJP NA NA +MJ098008 Circulocin ? C47H79N9O10 929.594989 NA MeJP NA NA +PJ085814 APLLLLKY C47H79N9O10 929.595 NA PeJP NA NA +PJ085815 VLKKMRR C40H79N15O8S 929.5957 NA PeJP NA NA +PJ085816 SLLLLLKM C44H83N9O10S 929.5984 NA PeJP NA NA +PJ085817 ATTLLKKR C41H79N13O11 929.6022 NA PeJP NA NA +PJ085818 AAKKKKKE C41H79N13O11 929.6023 NA PeJP NA NA +PJ085819 GVLLLLFR C46H79N11O9 929.6063 NA PeJP NA NA +PJ085820 GLLLKKKM C43H83N11O9S 929.6096 NA PeJP NA NA +PJ085821 DKKKKKR C40H79N15O10 929.6135 NA PeJP NA NA +MJ098009 Nephilatoxin 4 C45H79N13O8 929.617456 NA MeJP NA NA +PJ085822 LLLLFRR C45H79N13O8 929.6175 NA PeJP NA NA +PJ085823 SKKKKRR C39H79N17O9 929.6247 NA PeJP NA NA +PJ085824 STLLLKKK C43H83N11O11 929.6274 NA PeJP NA NA +PJ085825 ALLLLLKF C48H83N9O9 929.6314 NA PeJP NA NA +PJ085826 GTLKKKKK C42H83N13O10 929.6386 NA PeJP NA NA +MJ098010 Primycin; Primycin A1, 18-De(arabinosyloxy) C50H95N3O12 929.691575 NA MeJP NA NA +HMDB08552 PC(22:0/24:0) C54H108NO8P 929.78125 NA HMDB2010 NA NA +HMDB08775 PC(24:0/22:0) C54H108NO8P 929.78125 NA HMDB2010 NA NA +3234 bombolitin III from venom of bumble bee (Megabombu IKIMDILAKLGKVLAHV~ 930.07915 MH2+ Inhouse_peptide NA peptide +PJ085827 CCCCCCMY C32H50N8O10S7 930.1695 NA PeJP NA NA +PJ085828 CCCCCEMH C31H50N10O11S6 930.1985 NA PeJP NA NA +PJ085829 CCCCCCFF C36H50N8O9S6 930.2025 NA PeJP NA NA +PJ085830 CCDDDDDM C31H46N8O19S3 930.2042 NA PeJP NA NA +PJ085831 GSCCCNDDD C30H46N10O18S3 930.2154 NA PeJP NA NA +PJ085832 GPCCCCCNE C31H50N10O13S5 930.2163 NA PeJP NA NA +PJ085833 ACCCCCYY C36H50N8O11S5 930.2203 NA PeJP NA NA +PJ085834 PCCCCCNW C35H50N10O10S5 930.2315 NA PeJP NA NA +PJ085835 CCCNNDEM C31H50N10O15S4 930.234 NA PeJP NA NA +PJ085836 GGGGCCCDEM C31H50N10O15S4 930.2341 NA PeJP NA NA +PJ085837 TCCCCMMH C32H54N10O10S6 930.2349 NA PeJP NA NA +PJ085838 SSCCCCYY C36H50N8O13S4 930.238 NA PeJP NA NA +PJ085839 SCDDDDMM C32H50N8O18S3 930.2406 NA PeJP NA NA +PJ085840 PCCCDEMM C33H54N8O13S5 930.2414 NA PeJP NA NA +PJ085841 CCCCNDDR C30H50N12O14S4 930.2453 NA PeJP NA NA +PJ085842 GCCCNDMW C35H50N10O12S4 930.2493 NA PeJP NA NA +PJ085843 GSSCCNDDM C31H50N10O17S3 930.2518 NA PeJP NA NA +PJ085844 GSPCCCCQM C32H54N10O12S5 930.2527 NA PeJP NA NA +PJ085845 GCDDDDEY C35H46N8O20S 930.255 NA PeJP NA NA +PJ085846 PCCCDDEF C36H50N8O15S3 930.2558 NA PeJP NA NA +PJ085847 GCDDEMMM C33H54N8O15S4 930.2592 NA PeJP NA NA +PJ085848 SCCDDDHH C33H46N12O16S2 930.2597 NA PeJP NA NA +PJ085849 PCCCCEHH C34H50N12O11S4 930.2605 NA PeJP NA NA +PJ085850 SSSCCCNNN C30H50N12O16S3 930.263 NA PeJP NA NA +PJ085851 GSPCCCCCR C31H54N12O11S5 930.2639 NA PeJP NA NA +PJ085852 CCCCQWW C39H50N10O9S4 930.2645 NA PeJP NA NA +PJ085853 GACCCCWW C39H50N10O9S4 930.2646 NA PeJP NA NA +PJ085854 PCDDDDDH C34H46N10O19S 930.2662 NA PeJP NA NA +PJ085855 SSCCCNEW C35H50N10O14S3 930.267 NA PeJP NA NA +PJ085856 GGSSCCCEW C35H50N10O14S3 930.2671 NA PeJP NA NA +PJ085857 GCCCMMHF C36H54N10O9S5 930.2679 NA PeJP NA NA +PJ085858 SSSSCCNDE C31H50N10O19S2 930.2695 NA PeJP NA NA +PJ085859 GGSSSSCCDE C31H50N10O19S2 930.2696 NA PeJP NA NA +PJ085860 CDDDDYW C39H46N8O17S 930.2702 NA PeJP NA NA +PJ085861 SCCNNEMM C32H54N10O14S4 930.2704 NA PeJP NA NA +PJ085862 CCCNYYY C40H50N8O12S3 930.2711 NA PeJP NA NA +PJ085863 SSDDDDDY C35H46N8O22 930.2727 NA PeJP NA NA +PJ085864 SPCCDDEY C36H50N8O17S2 930.2736 NA PeJP NA NA +PJ085865 CDDMMMW C37H54N8O12S4 930.2744 NA PeJP NA NA +PJ085866 SSDDDMMM C33H54N8O17S3 930.2769 NA PeJP NA NA +PJ085867 SPCCEMMM C34H58N8O12S5 930.2778 NA PeJP NA NA +PJ085868 CCCNNNNF C34H50N12O13S3 930.2783 NA PeJP NA NA +MJ098011 6-O-?-D-Glucopyranosyl-D-glucose; ?-Pyranose-form, 1,2'-Bis-O-(4-hydroxy-3,5-dimethoxycinnamoyl), 2-O-(4-hydroxy-3-methoxycinnamoyl) C44H50O22 930.279373 NA MeJP NA NA +PJ085869 SCCCCQER C31H54N12O13S4 930.2816 NA PeJP NA NA +PJ085870 SCCCNDMR C31H54N12O13S4 930.2817 NA PeJP NA NA +PJ085871 GSSCCCWW C39H50N10O11S3 930.2823 NA PeJP NA NA +PJ085872 GDDDDEEH C34H46N10O21 930.284 NA PeJP NA NA +PJ085873 GSSSSCCDW C35H50N10O16S2 930.2848 NA PeJP NA NA +PJ085874 GSCCNMMW C36H54N10O11S4 930.2857 NA PeJP NA NA +PJ085875 GSSSSSSCDD C31H50N10O21S 930.2873 NA PeJP NA NA +PJ085876 GSSSCNDMM C32H54N10O16S3 930.2882 NA PeJP NA NA +PJ085877 CDDDMFW C40H50N8O14S2 930.2888 NA PeJP NA NA +PJ085878 GCNNMMMM C33H58N10O11S5 930.289 NA PeJP NA NA +PJ085879 GGGCNMMMM C33H58N10O11S5 930.2891 NA PeJP NA NA +PJ085880 SCCCNQHH C33H50N14O12S3 930.2895 NA PeJP NA NA +PJ085881 GSDDDEMY C36H50N8O19S 930.2913 NA PeJP NA NA +PJ085882 GPCDDMMY C37H54N8O14S3 930.2922 NA PeJP NA NA +PJ085883 PPCCCMMF C38H58N8O9S5 930.2931 NA PeJP NA NA +PJ085884 CCDMHHW C38H50N12O10S3 930.2935 NA PeJP NA NA +PJ085885 SNNDDDDH C33H46N12O20 930.2952 NA PeJP NA NA +PJ085886 GSDEMMMM C34H58N8O14S4 930.2956 NA PeJP NA NA +PJ085887 SCCNNNNY C34H50N12O15S2 930.296 NA PeJP NA NA +PJ085888 GGGGGGSCCNY C34H50N12O15S2 930.2961 NA PeJP NA NA +PJ085889 GPCMMMMM C35H62N8O9S6 930.2964 NA PeJP NA NA +PJ085890 GTCCCCRW C35H54N12O10S4 930.2969 NA PeJP NA NA +PJ085891 DDDDEHW C38H46N10O18 930.2992 NA PeJP NA NA +PJ085892 GSSSCCCER C31H54N12O15S3 930.2994 NA PeJP NA NA +PJ085893 CCNNEYW C39H50N10O13S2 930.3001 NA PeJP NA NA +PJ085894 GCCCQMMR C32H58N12O10S5 930.3003 NA PeJP NA NA +PJ085895 CCCCKWW C40H54N10O8S4 930.3009 NA PeJP NA NA +PJ085896 SSCNNDEY C35H50N10O18S 930.3026 NA PeJP NA NA +PJ085897 SSSCCQMW C36H54N10O13S3 930.3034 NA PeJP NA NA +PJ085898 GGGGGCDMMF C36H54N10O13S3 930.3035 NA PeJP NA NA +MJ098012 Perdeacyleuojaponin; 2-(3-Pyridinecarbonyl), 6-benzoyl, 1,8,9,14-tetra-Ac C47H50N2O18 930.305862 NA MeJP NA NA +MJ098013 Perdeacylwilforine; 6-(3-Pyridinecarbonyl), 2-benzoyl, 1,8,9,14-tetra-Ac C47H50N2O18 930.305862 NA MeJP NA NA +PJ085899 SSSSSCNEM C32H54N10O18S2 930.3059 NA PeJP NA NA +MJ098014 Tamarindose C34H58O29 930.306375 NA MeJP NA NA +PJ085900 SDDDMYW C40H50N8O16S 930.3066 NA PeJP NA NA +PJ085901 SSCNQMMM C33H58N10O13S4 930.3068 NA PeJP NA NA +PJ085902 GSSSCCNHH C33H50N14O14S2 930.3073 NA PeJP NA NA +PJ085903 PCCEMYW C41H54N8O11S3 930.3075 NA PeJP NA NA +PJ085904 SSSDDEEY C36H50N8O21 930.3091 NA PeJP NA NA +PJ085905 DDQEMMY C37H54N8O16S2 930.3099 NA PeJP NA NA +PJ085906 NDEEMMY C37H54N8O16S2 930.31 NA PeJP NA NA +PJ085907 SDMMMMW C38H58N8O11S4 930.3108 NA PeJP NA NA +PJ085908 GPCCNDHW C38H50N12O12S2 930.3113 NA PeJP NA NA +PJ085909 GCCCCMRR C31H58N14O9S5 930.3115 NA PeJP NA NA +PJ085910 SSSEEMMM C34H58N8O16S3 930.3133 NA PeJP NA NA +PJ085911 GNNDDEMH C34H50N12O17S 930.3138 NA PeJP NA NA +PJ085912 QEMMMMM C35H62N8O11S5 930.3142 NA PeJP NA NA +PJ085913 SSSCCCRW C35H54N12O12S3 930.3147 NA PeJP NA NA +PJ085914 GCCNYWW C43H50N10O10S2 930.3153 NA PeJP NA NA +PJ085915 SSSSSCCDR C31H54N12O17S2 930.3172 NA PeJP NA NA +PJ085916 GSSCNDYW C39H50N10O15S 930.3178 NA PeJP NA NA +PJ085917 SSCCNMMR C32H58N12O12S4 930.318 NA PeJP NA NA +PJ085918 CCNQMFW C40H54N10O10S3 930.3187 NA PeJP NA NA +PJ085919 GSSSSNDDY C35H50N10O20 930.3203 NA PeJP NA NA +PJ085920 GSSSSSCMW C36H54N10O15S2 930.3212 NA PeJP NA NA +PJ085921 GTCCCKMW C37H58N10O10S4 930.3221 NA PeJP NA NA +PJ085922 GCCNNHHF C37H50N14O11S2 930.3225 NA PeJP NA NA +PJ085923 GGGGGCCHHF C37H50N14O11S2 930.3226 NA PeJP NA NA +PJ085924 GSSSSSSSDM C32H54N10O20S 930.3237 NA PeJP NA NA +PJ085925 GSPDDDYY C40H50N8O18 930.3243 NA PeJP NA NA +PJ085926 GGDDEEFY C40H50N8O18 930.3244 NA PeJP NA NA +PJ085927 GSSSSNMMM C33H58N10O15S3 930.3246 NA PeJP NA NA +PJ085928 GCNDDDHR C33H50N14O16S 930.325 NA PeJP NA NA +PJ085929 GGGCDDDHR C33H50N14O16S 930.3251 NA PeJP NA NA +PJ085930 GDEMMYW C41H54N8O13S2 930.3252 NA PeJP NA NA +PJ085931 CEMMMMR C34H62N10O10S5 930.3254 NA PeJP NA NA +PJ085932 SCCCNKHH C34H54N14O11S3 930.3259 NA PeJP NA NA +PJ085933 GSSEEEMY C37H54N8O18S 930.3277 NA PeJP NA NA +PJ085934 GSPDMMMY C38H58N8O13S3 930.3286 NA PeJP NA NA +PJ085935 NNDDMHW C38H50N12O14S 930.3291 NA PeJP NA NA +PJ085936 STCCCCRR C31H58N14O11S4 930.3293 NA PeJP NA NA +PJ085937 AMMMMMW C39H62N8O8S5 930.3295 NA PeJP NA NA +PJ085938 CCCNFRW C39H54N12O9S3 930.3299 NA PeJP NA NA +PJ085939 SSNNDEEH C34H50N12O19 930.3316 NA PeJP NA NA +PJ085940 GTTEMMMM C35H62N8O13S4 930.332 NA PeJP NA NA +PJ085941 GSCCNERY C35H54N12O14S2 930.3324 NA PeJP NA NA +PJ085942 NMMMMHH C36H58N12O9S4 930.3333 NA PeJP NA NA +PJ085943 GTCCHHHH C36H50N16O10S2 930.3338 NA PeJP NA NA +PJ085944 SDEEEHW C39H50N10O17 930.3356 NA PeJP NA NA +PJ085945 GSSSTCCMR C32H58N12O14S3 930.3358 NA PeJP NA NA +PJ085946 SCNQMYW C40H54N10O12S2 930.3364 NA PeJP NA NA +PJ085947 GGGGTCMYW C40H54N10O12S2 930.3365 NA PeJP NA NA +PJ085948 GCCCKMMR C33H62N12O9S5 930.3367 NA PeJP NA NA +PJ085949 SSSSSSTCW C36H54N10O17S 930.3389 NA PeJP NA NA +PJ085950 GGGGSSSEMY C36H54N10O17S 930.339 NA PeJP NA NA +PJ085951 GDDEFYW C44H50N8O15 930.3396 NA PeJP NA NA +PJ085952 SSSCCKMW C37H58N10O12S3 930.3398 NA PeJP NA NA +PJ085953 GSCNNNHW C37H50N14O13S 930.3403 NA PeJP NA NA +PJ085954 DMMYWW C45H54N8O10S2 930.3405 NA PeJP NA NA +PJ085955 SSSSSSSSSE C32H54N10O22 930.3414 NA PeJP NA NA +PJ085956 SSSSSSQMM C33H58N10O17S2 930.3423 NA PeJP NA NA +PJ085957 GSSSNNNDH C33H50N14O18 930.3428 NA PeJP NA NA +PJ085958 SSEEMYW C41H54N8O15S 930.343 NA PeJP NA NA +PJ085959 SSCNKMMM C34H62N10O12S4 930.3432 NA PeJP NA NA +PJ085960 SPCCNDHR C34H54N14O13S2 930.3437 NA PeJP NA NA +PJ085961 PTCMMYW C42H58N8O10S3 930.3438 NA PeJP NA NA +PJ085962 GCNEHWW C42H50N12O11S 930.3443 NA PeJP NA NA +PJ085963 SSSTEEEY C37H54N8O20 930.3455 NA PeJP NA NA +PJ085964 TQEEMMY C38H58N8O15S2 930.3463 NA PeJP NA NA +PJ085965 PPPDDEMM C38H58N8O15S2 930.3464 NA PeJP NA NA +PJ085966 GSSNDEHW C38H50N12O16 930.3468 NA PeJP NA NA +PJ085967 EMYYYY C46H54N6O13S 930.347 NA PeJP NA NA +PJ085968 TTMMMMW C39H62N8O10S4 930.3472 NA PeJP NA NA +PJ085969 SCCNRYW C39H54N12O11S2 930.3477 NA PeJP NA NA +PJ085970 STTTEMMM C35H62N8O15S3 930.3497 NA PeJP NA NA +PJ085971 SSSCNDRY C35H54N12O16S 930.3502 NA PeJP NA NA +PJ085972 KEMMMMM C36H66N8O10S5 930.3506 NA PeJP NA NA +PJ085973 GNNDYYW C43H50N10O14 930.3508 NA PeJP NA NA +PJ085974 CNNMMRY C36H58N12O11S3 930.351 NA PeJP NA NA +PJ085975 GGCNMMRY C36H58N12O11S3 930.3511 NA PeJP NA NA +PJ085976 SSSCHHHH C36H50N16O12S 930.3515 NA PeJP NA NA +PJ085977 CCQHFFF C44H54N10O9S2 930.3517 NA PeJP NA NA +PJ085978 SSSSSSCMR C32H58N12O16S2 930.3535 NA PeJP NA NA +PJ085979 NNNNNNNN C32H50N16O17 930.354 NA PeJP NA NA +PJ085980 GGGGGGGGGGNNN C32H50N16O17 930.3541 NA PeJP NA NA +PJ085981 GSSSNMYW C40H54N10O14S 930.3542 NA PeJP NA NA +PJ085982 STCCCKMR C33H62N12O11S4 930.3544 NA PeJP NA NA +PJ085983 DDFYWW C48H50N8O12 930.3549 NA PeJP NA NA +PJ085984 CCNKMFW C41H58N10O9S3 930.3551 NA PeJP NA NA +PJ085985 PCDHHHW C41H50N14O10S 930.3555 NA PeJP NA NA +PJ085986 GSSSSSQEY C36H54N10O19 930.3567 NA PeJP NA NA +PJ085987 SDEMMRY C37H58N10O14S2 930.3576 NA PeJP NA NA +PJ085988 GNNNNDHF C37H50N14O15 930.358 NA PeJP NA NA +PJ085989 GGGNNNDHF C37H50N14O15 930.3581 NA PeJP NA NA +PJ085990 GPDMYYW C45H54N8O12S 930.3582 NA PeJP NA NA +PJ085991 PCMMMRY C38H62N10O9S4 930.3584 NA PeJP NA NA +PJ085992 PCCCCKKF C38H62N10O9S4 930.3585 NA PeJP NA NA +PJ085993 CCEHHFR C38H54N14O10S2 930.3589 NA PeJP NA NA +PJ085994 MMMFWW C46H58N8O7S3 930.3591 NA PeJP NA NA +PJ085995 CNHWWW C46H50N12O8S 930.3596 NA PeJP NA NA +PJ085996 GSSSSSSTTM C33H58N10O19S 930.3601 NA PeJP NA NA +PJ085997 AQEEEYY C41H54N8O17 930.3607 NA PeJP NA NA +PJ085998 GSSSTCKMM C34H62N10O14S3 930.3609 NA PeJP NA NA +PJ085999 GSNDDMHR C34H54N14O15S 930.3614 NA PeJP NA NA +PJ086000 GGGGGGGGGGPNM C34H54N14O15S 930.3615 NA PeJP NA NA +PJ086001 ATEMMYW C42H58N8O12S2 930.3616 NA PeJP NA NA +PJ086002 TMMMMMR C35H66N10O9S5 930.3618 NA PeJP NA NA +PJ086003 SSNDHWW C42H50N12O13 930.3621 NA PeJP NA NA +PJ086004 CCCQRRY C35H58N14O10S3 930.3623 NA PeJP NA NA +PJ086005 ACMHHFW C43H54N12O8S2 930.3629 NA PeJP NA NA +PJ086006 GTTTEEMY C38H58N8O17S 930.3641 NA PeJP NA NA +PJ086007 VQEMMMY C39H62N8O12S3 930.365 NA PeJP NA NA +PJ086008 SNQEMHW C39H54N12O13S 930.3654 NA PeJP NA NA +PJ086009 GGGGTEMHW C39H54N12O13S 930.3655 NA PeJP NA NA +PJ086010 CNHHHHF C40H50N16O9S 930.3668 NA PeJP NA NA +PJ086011 GPDDDQER C35H54N12O18 930.3679 NA PeJP NA NA +PJ086012 GPNDDEER C35H54N12O18 930.368 NA PeJP NA NA +PJ086013 SSTLMMMM C36H66N8O12S4 930.3683 NA PeJP NA NA +PJ086014 GSSCQMRY C36H58N12O13S2 930.3688 NA PeJP NA NA +PJ086015 DDDHHHR C36H50N16O14 930.3693 NA PeJP NA NA +PJ086016 PPCNEWW C44H54N10O11S 930.3695 NA PeJP NA NA +PJ086017 SSSSSQYW C40H54N10O16 930.3719 NA PeJP NA NA +PJ086018 GGSSSSTYW C40H54N10O16 930.372 NA PeJP NA NA +PJ086019 SSCNNNHR C33H54N16O14S 930.3726 NA PeJP NA NA +PJ086020 GGSSCNNHR C33H54N16O14S 930.3727 NA PeJP NA NA +PJ086021 SCNKMYW C41H58N10O11S2 930.3728 NA PeJP NA NA +PJ086022 GGGGGAMMFF C41H58N10O11S2 930.3729 NA PeJP NA NA +PJ086023 GEEHHHW C41H50N14O12 930.3733 NA PeJP NA NA +PJ086024 DMFFWW C49H54N8O9S 930.3735 NA PeJP NA NA +PJ086025 SSSNDKMY C37H58N10O16S 930.3753 NA PeJP NA NA +PJ086026 GGGGPPTEEM C37H58N10O16S 930.3754 NA PeJP NA NA +MJ098015 Microsclerodermin E C45H54N8O14 930.375948 NA MeJP NA NA +PJ086027 AAEEYYW C45H54N8O14 930.376 NA PeJP NA NA +PJ086028 AEMMMRY C38H62N10O11S3 930.3762 NA PeJP NA NA +PJ086029 SCNEHRW C38H54N14O12S 930.3767 NA PeJP NA NA +PJ086030 GPMMFYW C46H58N8O9S2 930.3769 NA PeJP NA NA +PJ086031 SSSSSSSTTT C33H58N10O21 930.3778 NA PeJP NA NA +PJ086032 SSSSSSKMM C34H62N10O16S2 930.3787 NA PeJP NA NA +PJ086033 SSSNDEHR C34H54N14O17 930.3792 NA PeJP NA NA +PJ086034 TTTEMYW C42H58N8O14S 930.3793 NA PeJP NA NA +PJ086035 GAPTEMYY C42H58N8O14S 930.3794 NA PeJP NA NA +PJ086036 STCCKKMM C35H66N10O11S4 930.3796 NA PeJP NA NA +PJ086037 PYYYYY C50H54N6O12 930.38 NA PeJP NA NA +PJ086038 GGNEMMHR C35H58N14O12S2 930.3801 NA PeJP NA NA +PJ086039 GLMMMYW C43H62N8O9S3 930.3802 NA PeJP NA NA +PJ086040 GSQMHWW C43H54N12O10S 930.3807 NA PeJP NA NA +PJ086041 STTTTEEY C38H58N8O19 930.3818 NA PeJP NA NA +PJ086042 GPLEEEEE C38H58N8O19 930.3819 NA PeJP NA NA +PJ086043 TKEEMMY C39H62N8O14S2 930.3827 NA PeJP NA NA +PJ086044 PNDDERW C39H54N12O15 930.3832 NA PeJP NA NA +PJ086045 PKMMMMY C40H66N8O9S4 930.3836 NA PeJP NA NA +PJ086046 AQQMMHW C40H58N12O10S2 930.3841 NA PeJP NA NA +PJ086047 SNNHHHW C40H50N16O11 930.3845 NA PeJP NA NA +PJ086048 GGGGSHHHW C40H50N16O11 930.3846 NA PeJP NA NA +PJ086049 GPPCWWW C48H54N10O8S 930.3847 NA PeJP NA NA +PJ086050 SSSSNMRY C36H58N12O15S 930.3866 NA PeJP NA NA +PJ086051 GPQEEWW C44H54N10O13 930.3872 NA PeJP NA NA +PJ086052 CCQKMRY C37H62N12O10S3 930.3874 NA PeJP NA NA +PJ086053 GAPPPCCMR C37H62N12O10S3 930.3875 NA PeJP NA NA +PJ086054 NQQMHHH C37H54N16O11S 930.3879 NA PeJP NA NA +PJ086055 CCKHFFF C45H58N10O8S2 930.3881 NA PeJP NA NA +PJ086056 EHHHWW C45H50N14O9 930.3886 NA PeJP NA NA +PJ086057 GNNNNNER C33H54N16O16 930.3904 NA PeJP NA NA +PJ086058 GGGGGGGGGGGER C33H54N16O16 930.3905 NA PeJP NA NA +PJ086059 GSSTCKYW C41H58N10O13S 930.3906 NA PeJP NA NA +PJ086060 VDYYWW C49H54N8O11 930.3912 NA PeJP NA NA +PJ086061 CNDMHRR C34H58N16O11S2 930.3913 NA PeJP NA NA +PJ086062 PVMMMHW C42H62N10O8S3 930.3915 NA PeJP NA NA +PJ086063 GSCHRWW C42H54N14O9S 930.3919 NA PeJP NA NA +PJ086064 GSSSSSKEY C37H58N10O18 930.3931 NA PeJP NA NA +PJ086065 TTEMMRY C38H62N10O13S2 930.394 NA PeJP NA NA +PJ086066 GSSSDHRW C38H54N14O14 930.3944 NA PeJP NA NA +PJ086067 GGGGGGGAQQW C38H54N14O14 930.3945 NA PeJP NA NA +PJ086068 APTMYYW C46H58N8O11S 930.3946 NA PeJP NA NA +PJ086069 CLMMMFR C39H66N10O8S4 930.3948 NA PeJP NA NA +PJ086070 GNMMHRW C39H58N14O9S2 930.3953 NA PeJP NA NA +PJ086071 PLEEEEW C42H58N8O16 930.3971 NA PeJP NA NA +PJ086072 GSSQEMHR C35H58N14O14S 930.3978 NA PeJP NA NA +PJ086073 STLMMYW C43H62N8O11S2 930.398 NA PeJP NA NA +PJ086074 SSTQHWW C43H54N12O12 930.3984 NA PeJP NA NA +PJ086075 GPDDRWW C43H54N12O12 930.3985 NA PeJP NA NA +PJ086076 CCCKRRY C36H62N14O9S3 930.3987 NA PeJP NA NA +PJ086077 CNQHHHR C36H54N18O10S 930.3991 NA PeJP NA NA +PJ086078 GGCQHHHR C36H54N18O10S 930.3992 NA PeJP NA NA +PJ086079 SSTTLEMY C39H62N8O16S 930.4005 NA PeJP NA NA +PJ086080 VKEMMMY C40H66N8O11S3 930.4013 NA PeJP NA NA +PJ086081 LDKMMMY C40H66N8O11S3 930.4014 NA PeJP NA NA +PJ086082 GSPPCERW C40H58N12O12S 930.4018 NA PeJP NA NA +PJ086083 GGGGGGGPVMW C40H58N12O12S 930.4019 NA PeJP NA NA +PJ086084 PQEWWW C48H54N10O10 930.4025 NA PeJP NA NA +PJ086085 GSSSSSTRY C36H58N12O17 930.4043 NA PeJP NA NA +PJ086086 GGGGGGALQEE C36H58N12O17 930.4044 NA PeJP NA NA +PJ086087 GSSCKMRY C37H62N12O12S2 930.4052 NA PeJP NA NA +PJ086088 NNNNNRW C37H54N16O13 930.4057 NA PeJP NA NA +PJ086089 SPPQMWW C45H58N10O10S 930.4058 NA PeJP NA NA +PJ086090 GGPPTMWW C45H58N10O10S 930.4059 NA PeJP NA NA +PJ086091 ACCHRRW C38H58N16O8S2 930.4065 NA PeJP NA NA +PJ086092 SSSSSKYW C41H58N10O15 930.4083 NA PeJP NA NA +PJ086093 PNKEEEW C41H58N10O15 930.4084 NA PeJP NA NA +PJ086094 GSSCEHRR C34H58N16O13S 930.409 NA PeJP NA NA +PJ086095 GGGPCNDRR C34H58N16O13S 930.4091 NA PeJP NA NA +PJ086096 TCCKKYW C42H62N10O10S2 930.4092 NA PeJP NA NA +MJ098016 3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-[6-Deoxy-?-L-glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside], 6-Ac C44H66O21 930.409659 NA MeJP NA NA +MJ098017 3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside], 6-Ac C44H66O21 930.409659 NA MeJP NA NA +PJ086097 GNDHFRW C42H54N14O11 930.4097 NA PeJP NA NA +PJ086098 VMFYWW C50H58N8O8S 930.4099 NA PeJP NA NA +PJ086099 SSSTQKMY C38H62N10O15S 930.4117 NA PeJP NA NA +PJ086100 GTLEYYW C46H58N8O13 930.4124 NA PeJP NA NA +PJ086101 SLMMMRY C39H66N10O10S3 930.4126 NA PeJP NA NA +PJ086102 SSQMHRW C39H58N14O11S 930.413 NA PeJP NA NA +PJ086103 GGSTMHRW C39H58N14O11S 930.4131 NA PeJP NA NA +PJ086104 GLMMFFW C47H62N8O8S2 930.4132 NA PeJP NA NA +PJ086105 QQHFWW C47H54N12O9 930.4137 NA PeJP NA NA +PJ086106 SSSSSSPHR C35H58N14O16 930.4155 NA PeJP NA NA +PJ086107 GSPDDERR C35H58N14O16 930.4156 NA PeJP NA NA +PJ086108 PTKEMYY C43H62N8O13S 930.4157 NA PeJP NA NA +PJ086109 PPPVDEMF C43H62N8O13S 930.4158 NA PeJP NA NA +PJ086110 LFYYYY C51H58N6O11 930.4164 NA PeJP NA NA +PJ086111 GGGGPPCCKR C36H62N14O11S2 930.4165 NA PeJP NA NA +PJ086112 PKMMMFF C44H66N8O8S3 930.4166 NA PeJP NA NA +PJ086113 GSSNHHHR C36H54N18O12 930.4169 NA PeJP NA NA +PJ086114 SPPCRWW C44H58N12O9S 930.4171 NA PeJP NA NA +PJ086115 APWWWW C52H54N10O7 930.4177 NA PeJP NA NA +PJ086116 SPVLEEEE C39H62N8O18 930.4183 NA PeJP NA NA +PJ086117 SSSLLMMY C40H66N8O13S2 930.4191 NA PeJP NA NA +PJ086118 SPQEERW C40H58N12O14 930.4196 NA PeJP NA NA +PJ086119 LKMMMMF C41H70N8O8S4 930.42 NA PeJP NA NA +PJ086120 AQKMMHW C41H62N12O9S2 930.4204 NA PeJP NA NA +PJ086121 PPNMMRW C41H62N12O9S2 930.4205 NA PeJP NA NA +PJ086122 SSSTCKRY C37H62N12O14S 930.4229 NA PeJP NA NA +PJ086123 AAPQEEMR C37H62N12O14S 930.423 NA PeJP NA NA +PJ086124 GPKEEWW C45H58N10O12 930.4236 NA PeJP NA NA +PJ086125 CCKKMRY C38H66N12O9S3 930.4238 NA PeJP NA NA +PJ086126 SSCHRRW C38H58N16O10S 930.4243 NA PeJP NA NA +PJ086127 APHHHFW C46H54N14O8 930.4249 NA PeJP NA NA +PJ086128 SSSSDHRR C34H58N16O15 930.4268 NA PeJP NA NA +PJ086129 GSPPKEMW C42H62N10O12S 930.427 NA PeJP NA NA +PJ086130 TLYYWW C50H58N8O10 930.4276 NA PeJP NA NA +PJ086131 SNMMHRR C35H62N16O10S2 930.4277 NA PeJP NA NA +PJ086132 ALMHHHW C43H58N14O8S 930.4283 NA PeJP NA NA +PJ086133 GSSSTTTKY C38H62N10O17 930.4295 NA PeJP NA NA +PJ086134 GSSKKMMY C39H66N10O12S2 930.4303 NA PeJP NA NA +PJ086135 GTLLEMMH C39H66N10O12S2 930.4304 NA PeJP NA NA +PJ086136 SPDDRRW C39H58N14O13 930.4308 NA PeJP NA NA +PJ086137 GGGGGGGGAAKW C39H58N14O13 930.4309 NA PeJP NA NA +PJ086138 GVLMYYW C47H62N8O10S 930.431 NA PeJP NA NA +PJ086139 ACKMHRW C40H62N14O8S2 930.4317 NA PeJP NA NA +PJ086140 VQHHHHH C40H54N18O9 930.4322 NA PeJP NA NA +PJ086141 SLKEEYY C43H62N8O15 930.4335 NA PeJP NA NA +PJ086142 PNEEMRR C36H62N14O13S 930.4342 NA PeJP NA NA +PJ086143 PVKMMYY C44H66N8O10S2 930.4344 NA PeJP NA NA +PJ086144 GPTERWW C44H58N12O11 930.4348 NA PeJP NA NA +PJ086145 GGGGSPKWW C44H58N12O11 930.4349 NA PeJP NA NA +PJ086146 CNKHHHR C37H58N18O9S 930.4355 NA PeJP NA NA +PJ086147 TTTTTLMY C40H66N8O15S 930.4369 NA PeJP NA NA +PJ086148 GSNNNNRR C33H58N18O14 930.438 NA PeJP NA NA +PJ086149 GGGGGGGSNRR C33H58N18O14 930.4381 NA PeJP NA NA +PJ086150 PVNEMRW C41H62N12O11S 930.4382 NA PeJP NA NA +PJ086151 PKEWWW C49H58N10O9 930.4389 NA PeJP NA NA +PJ086152 GSPKEEER C37H62N12O16 930.4407 NA PeJP NA NA +PJ086153 GPPDKMMR C38H66N12O11S2 930.4416 NA PeJP NA NA +PJ086154 ANDHRRY C38H58N16O12 930.442 NA PeJP NA NA +PJ086155 GNNERRW C38H58N16O12 930.4421 NA PeJP NA NA +PJ086156 SPPKMWW C46H62N10O9S 930.4422 NA PeJP NA NA +PJ086157 VFFFWW C54H58N8O7 930.4429 NA PeJP NA NA +PJ086158 AHHHHHR C39H54N20O8 930.4434 NA PeJP NA NA +PJ086159 PDKKEEW C42H62N10O14 930.4447 NA PeJP NA NA +PJ086160 GGGALLEEW C42H62N10O14 930.4448 NA PeJP NA NA +PJ086161 PCDERRR C35H62N16O12S 930.4454 NA PeJP NA NA +PJ086162 TLLMMHW C43H66N10O9S2 930.4456 NA PeJP NA NA +MJ098018 2,3-Dihydroxyspirost-9(11)-en-12-one, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C45H70O20 930.446044 NA MeJP NA NA +PJ086163 QQQRWW C43H58N14O10 930.4461 NA PeJP NA NA +PJ086164 SSSTKKMY C39H66N10O14S 930.4481 NA PeJP NA NA +PJ086165 SSLLYYW C47H62N8O12 930.4487 NA PeJP NA NA +PJ086166 GGPVLYYY C47H62N8O12 930.4488 NA PeJP NA NA +PJ086167 CKKKMMY C40H70N10O9S3 930.449 NA PeJP NA NA +PJ086168 SSKMHRW C40H62N14O10S 930.4494 NA PeJP NA NA +PJ086169 GPEMRRW C40H62N14O10S 930.4495 NA PeJP NA NA +PJ086170 PTRWWW C48H58N12O8 930.4501 NA PeJP NA NA +PJ086171 VNEEERR C36H62N14O15 930.4519 NA PeJP NA NA +PJ086172 GGVEEERR C36H62N14O15 930.452 NA PeJP NA NA +PJ086173 VVKEMYY C44H66N8O12S 930.4521 NA PeJP NA NA +PJ086174 GSPPMMRR C37H66N14O10S2 930.4528 NA PeJP NA NA +PJ086175 PNDHHRR C37H58N18O11 930.4533 NA PeJP NA NA +PJ086176 GPVMRWW C45H62N12O8S 930.4535 NA PeJP NA NA +PJ086177 GLLLEEEE C40H66N8O17 930.4546 NA PeJP NA NA +PJ086178 PPTLLEMM C41H70N8O12S2 930.4555 NA PeJP NA NA +PJ086179 SPKEERW C41H62N12O13 930.456 NA PeJP NA NA +PJ086180 AKKMMHW C42H66N12O8S2 930.4568 NA PeJP NA NA +PJ086181 NNRRWW C42H58N16O9 930.4573 NA PeJP NA NA +PJ086182 SSPPKEMR C38H66N12O13S 930.4593 NA PeJP NA NA +PJ086183 AAPKEEMR C38H66N12O13S 930.4594 NA PeJP NA NA +PJ086184 SPVKEWW C46H62N10O11 930.46 NA PeJP NA NA +PJ086185 LLMMMHR C39H70N12O8S3 930.4602 NA PeJP NA NA +PJ086186 GQMHFRR C39H62N16O9S 930.4607 NA PeJP NA NA +PJ086187 GEEERRR C35H62N16O14 930.4632 NA PeJP NA NA +PJ086188 SVLMRYY C43H66N10O11S 930.4633 NA PeJP NA NA +PJ086189 PLQKEMW C43H66N10O11S 930.4634 NA PeJP NA NA +PJ086190 GVLFFYW C51H62N8O9 930.464 NA PeJP NA NA +PJ086191 TCKMHRR C36H66N16O9S2 930.4641 NA PeJP NA NA +PJ086192 PMRRWW C44H62N14O7S 930.4647 NA PeJP NA NA +PJ086193 APTKKEEE C39H66N10O16 930.4659 NA PeJP NA NA +PJ086194 SSLLLMMH C40H70N10O11S2 930.4667 NA PeJP NA NA +PJ086195 GGGGPVLLMM C40H70N10O11S2 930.4668 NA PeJP NA NA +PJ086196 GVEERRW C40H62N14O12 930.4672 NA PeJP NA NA +PJ086197 PVKMFFY C48H66N8O9S 930.4674 NA PeJP NA NA +PJ086198 VKHHHHH C41H58N18O8 930.4685 NA PeJP NA NA +PJ086199 LLLEEEW C44H66N8O14 930.4699 NA PeJP NA NA +PJ086200 PDKEMRR C37H66N14O12S 930.4706 NA PeJP NA NA +PJ086201 VLKMMFY C45H70N8O9S2 930.4708 NA PeJP NA NA +PJ086202 AALERWW C45H62N12O10 930.4712 NA PeJP NA NA +PJ086203 GCHFRRR C38H62N18O8S 930.4719 NA PeJP NA NA +PJ086204 SPLLLEEM C41H70N8O14S 930.4733 NA PeJP NA NA +PJ086205 PPVLLMMM C42H74N8O9S3 930.4741 NA PeJP NA NA +PJ086206 SNNERRR C34H62N18O13 930.4744 NA PeJP NA NA +PJ086207 PVDKMRW C42H66N12O10S 930.4746 NA PeJP NA NA +PJ086208 LLQWWW C50H62N10O8 930.4752 NA PeJP NA NA +PJ086209 GALLWWW C50H62N10O8 930.4753 NA PeJP NA NA +MJ098019 Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Dicinnamoyl, 3-O-[?-L-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] C53H70O14 930.476556 NA MeJP NA NA +MJ098020 Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Dicinnamoyl, 3-O-[?-L-oleandropyranosyl-(1?4)-L-oleandropyranoside] C53H70O14 930.476556 NA MeJP NA NA +PJ086210 LQKEEER C38H66N12O15 930.4771 NA PeJP NA NA +PJ086211 APPTKMMR C39H70N12O10S2 930.478 NA PeJP NA NA +PJ086212 EERRRW C39H62N16O11 930.4784 NA PeJP NA NA +PJ086213 GGGDKRRW C39H62N16O11 930.4785 NA PeJP NA NA +PJ086214 APLKMWW C47H66N10O8S 930.4786 NA PeJP NA NA +PJ086215 VLQKEEW C43H66N10O13 930.4811 NA PeJP NA NA +PJ086216 SPEMRRR C36H66N16O11S 930.4818 NA PeJP NA NA +PJ086217 CKKKMFF C44H70N10O8S2 930.482 NA PeJP NA NA +MJ098021 3,4,22-Trihydroxy-29-norlanosta-8,24-dien-30-oic acid, 3-O-[?-D-Galactopyranosyl-(1?4)-?-L-arabinopyranosyl-(1?2)-?-D-galactopyranoside] C46H74O19 930.48243 NA MeJP NA NA +MJ098022 Spirost-5-ene-3,17,26-triol, 26-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] C46H74O19 930.48243 NA MeJP NA NA +MJ098023 Spirost-5-ene-3,17,26-triol, 26-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C46H74O19 930.48243 NA MeJP NA NA +PJ086218 VERRWW C44H62N14O9 930.4825 NA PeJP NA NA +PJ086219 GPLKKEEM C40H70N10O13S 930.4845 NA PeJP NA NA +PJ086220 PVVKYYY C48H66N8O11 930.4851 NA PeJP NA NA +PJ086221 PPPVVEFF C48H66N8O11 930.4852 NA PeJP NA NA +PJ086222 SPVMRRW C41H66N14O9S 930.4858 NA PeJP NA NA +PJ086223 VVRWWW C49H62N12O7 930.4865 NA PeJP NA NA +PJ086224 VDKEERR C37H66N14O14 930.4883 NA PeJP NA NA +PJ086225 GGAADKKER C37H66N14O14 930.4884 NA PeJP NA NA +PJ086226 TLLKMYY C45H70N8O11S 930.4885 NA PeJP NA NA +PJ086227 PLQMMRR C38H70N14O9S2 930.4892 NA PeJP NA NA +PJ086228 GSNRRRW C38H62N18O10 930.4897 NA PeJP NA NA +PJ086229 SVLLLEEE C41H70N8O16 930.491 NA PeJP NA NA +PJ086230 PVVLLEMM C42H74N8O11S2 930.4919 NA PeJP NA NA +PJ086231 SLLQERW C42H66N12O12 930.4923 NA PeJP NA NA +MJ098024 Leucopyrokinin C42H66N12O12 930.492315 NA MeJP NA NA +PJ086232 ALKEERW C42H66N12O12 930.4924 NA PeJP NA NA +PJ086233 GQQMRRR C35H66N18O10S 930.493 NA PeJP NA NA +PJ086234 GGAQMRRR C35H66N18O10S 930.4931 NA PeJP NA NA +PJ086235 APKHHRW C43H62N16O8 930.4937 NA PeJP NA NA +PJ086236 GPTLKEMR C39H70N12O12S 930.4957 NA PeJP NA NA +PJ086237 GGGGGAALLKM C39H70N12O12S 930.4958 NA PeJP NA NA +PJ086238 GLLKEWW C47H66N10O10 930.4964 NA PeJP NA NA +PJ086239 PPCFRRR C40H66N16O8S 930.4971 NA PeJP NA NA +PJ086240 SVEERRR C36H66N16O13 930.4996 NA PeJP NA NA +PJ086241 LLLQQMW C44H70N10O10S 930.4997 NA PeJP NA NA +PJ086242 PLKKEMW C44H70N10O10S 930.4998 NA PeJP NA NA +PJ086243 PCLMRRR C37H70N16O8S2 930.5004 NA PeJP NA NA +PJ086244 SPTLKKEE C40H70N10O15 930.5022 NA PeJP NA NA +PJ086245 GVLKKEEE C40H70N10O15 930.5023 NA PeJP NA NA +PJ086246 SPPLKKMM C41H74N10O10S2 930.5031 NA PeJP NA NA +PJ086247 ATLERRW C41H66N14O11 930.5036 NA PeJP NA NA +PJ086248 VLKMFFF C49H70N8O8S 930.5038 NA PeJP NA NA +PJ086249 GCQRRRR C34H66N20O9S 930.5043 NA PeJP NA NA +MJ098025 Antibiotic JCM 4274 C45H70N8O13 930.506234 NA MeJP NA NA +PJ086250 SPPLLLEY C45H70N8O13 930.5063 NA PeJP NA NA +PJ086251 VLQEMRR C38H70N14O11S 930.507 NA PeJP NA NA +HMDB01036 Angiotensin III C46H66N12O9 930.507568 NA HMDB2010 NA NA +HMDB01036 Angiotensin III C46H66N12O9 930.50757 Bile-acid glycine conjugates ;SYN:Glycolithocholate 3-sulfate; Glycolithocholic acid 3-sulfate; Glycolithocholic acid sulfate; Sulfoglycolithocholate; Sulfoglycolithocholic acid;glycolithocholate sulfate;glycine amidated;LCA-Sul;GLCA-SulH2Blood; Urine Inhouse_peptide NA peptide +PJ086252 GTLLRWW C46H66N12O9 930.5076 NA PeJP NA NA +PJ086253 ALLLLEEM C42H74N8O13S 930.5097 NA PeJP NA NA +MJ098026 Microginin 51A; N3-Me C50H70N6O11 930.510257 NA MeJP NA NA +PJ086254 SNDKRRR C35H66N18O12 930.5108 NA PeJP NA NA +PJ086255 PTLKMRW C43H70N12O9S 930.511 NA PeJP NA NA +PJ086256 LLKWWW C51H66N10O7 930.5116 NA PeJP NA NA +PJ086257 LKKEEER C39H70N12O14 930.5135 NA PeJP NA NA +PJ086258 GPVLKMMR C40H74N12O9S2 930.5144 NA PeJP NA NA +PJ086259 GTQKRRW C40H66N16O10 930.5148 NA PeJP NA NA +PJ086260 VLKKEEW C44H70N10O12 930.5175 NA PeJP NA NA +PJ086261 ALEMRRR C37H70N16O10S 930.5182 NA PeJP NA NA +C08925 Astrasieversianin XVI C47H78O18 930.5188 NA KEGG NA NA +C08949 Gypenoside XXV C47H78O18 930.5188 NA KEGG NA NA +PJ086262 QKKRWW C45H66N14O8 930.5188 NA PeJP NA NA +MJ098027 12-Oleanene-3,16,21,28-tetrol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C47H78O18 930.518815 NA MeJP NA NA +MJ098028 12-Oleanene-3,16,22,28-tetrol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C47H78O18 930.518815 NA MeJP NA NA +MJ098029 13,28-Epoxy-3,16,23-oleananetriol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-L-arabinopyranoside] C47H78O18 930.518815 NA MeJP NA NA +MJ098030 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside], 25-O-?-D-glucopyranoside C47H78O18 930.518815 NA MeJP NA NA +MJ098031 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside], 6-O-?-D-glucopyranoside C47H78O18 930.518815 NA MeJP NA NA +MJ098032 3,11,16-Trihydroxycycloartan-24-one, 3-O-[?-D-Glucopyranosyl(1?2)-?-D-glucopyranoside], 16-O-?-L-arabinopyranoside C47H78O18 930.518815 NA MeJP NA NA +MJ098033 3,20,25,30-Tetrahydroxydammar-23-en-16-one, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 30-O-?-D-glucopyranoside C47H78O18 930.518815 NA MeJP NA NA +MJ098034 3,8,14,15,16-Pentahydroxypregnan-20-one, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-canaropyranosyl-(1?4)-?-D-canaropyranosyl-(1?4)-?-D-cymaropyranoside] C47H78O18 930.518815 NA MeJP NA NA +PJ086263 GAKKRWW C45H66N14O8 930.5189 NA PeJP NA NA +PJ086264 SPVLKKEM C41H74N10O12S 930.5209 NA PeJP NA NA +MJ098035 Dichotomin I C49H70N8O10 930.52149 NA MeJP NA NA +PJ086265 VVLKFYY C49H70N8O10 930.5215 NA PeJP NA NA +PJ086266 SSNRRRR C34H66N20O11 930.522 NA PeJP NA NA +PJ086267 GLLMRRW C42H70N14O8S 930.5222 NA PeJP NA NA +PJ086268 TLKEERR C38H70N14O13 930.5247 NA PeJP NA NA +PJ086269 PPVVLLMY C46H74N8O10S 930.5249 NA PeJP NA NA +PJ086270 PLKMMRR C39H74N14O8S2 930.5256 NA PeJP NA NA +PJ086271 PTKHHRR C39H66N18O9 930.5261 NA PeJP NA NA +PJ086272 TTLLLLEE C42H74N8O15 930.5274 NA PeJP NA NA +PJ086273 PTLLLLMM C43H78N8O10S2 930.5283 NA PeJP NA NA +PJ086274 SLLKERW C43H70N12O11 930.5287 NA PeJP NA NA +PJ086275 GGVKKKEW C43H70N12O11 930.5288 NA PeJP NA NA +PJ086276 GQKMRRR C36H70N18O9S 930.5294 NA PeJP NA NA +PJ086277 AALLKEMR C40H74N12O11S 930.5321 NA PeJP NA NA +PJ086278 SVLLKWW C48H70N10O9 930.5328 NA PeJP NA NA +PJ086279 AATTQKRR C37H70N16O12 930.5359 NA PeJP NA NA +PJ086280 TTLERRR C37H70N16O12 930.536 NA PeJP NA NA +PJ086281 LLLQKMW C45H74N10O9S 930.5361 NA PeJP NA NA +PJ086282 GLHHRRR C38H66N20O8 930.5373 NA PeJP NA NA +PJ086283 ATLLKKEE C41H74N10O14 930.5386 NA PeJP NA NA +PJ086284 APLLKKMM C42H78N10O9S2 930.5395 NA PeJP NA NA +PJ086285 STLLRRW C42H70N14O10 930.54 NA PeJP NA NA +PJ086286 GCKRRRR C35H70N20O8S 930.5407 NA PeJP NA NA +PJ086287 APLLLLEY C46H74N8O12 930.5427 NA PeJP NA NA +PJ086288 LQQKKMR C39H74N14O10S 930.5433 NA PeJP NA NA +PJ086289 VLKEMRR C39H74N14O10S 930.5434 NA PeJP NA NA +PJ086290 GVKKKWW C47H70N12O8 930.544 NA PeJP NA NA +PJ086291 SLLLLLEM C43H78N8O12S 930.546 NA PeJP NA NA +PJ086292 STQKRRR C36H70N18O11 930.5472 NA PeJP NA NA +PJ086293 VVLKMRW C44H74N12O8S 930.5474 NA PeJP NA NA +PJ086294 ATTLLKER C40H74N12O13 930.5499 NA PeJP NA NA +PJ086295 GTKKRRW C41H70N16O9 930.5512 NA PeJP NA NA +MJ098036 Antibiotic LI-F; Antibiotic LI-F07A C45H74N10O11 930.553853 NA MeJP NA NA +PJ086296 GTTLLLKW C45H74N10O11 930.5539 NA PeJP NA NA +PJ086297 SLLMRRR C38H74N16O9S 930.5546 NA PeJP NA NA +PJ086298 KKKRWW C46H70N14O7 930.5552 NA PeJP NA NA +MJ098037 20,24-Epoxydammarane-3,12,25-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] C48H82O17 930.555201 NA MeJP NA NA +MJ098038 20,24-Epoxydammarane-3,25,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] C48H82O17 930.555201 NA MeJP NA NA +MJ098039 Antibiotic X 14868A; O29-Me C48H82O17 930.555201 NA MeJP NA NA +MJ098040 Dammar-24-ene-3,12,20-triol, 3-O-?-D-Glucopyranoside, 20-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C48H82O17 930.555201 NA MeJP NA NA +MJ098041 Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C48H82O17 930.555201 NA MeJP NA NA +MJ098042 Dammar-24-ene-3,12,20-triol, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H82O17 930.555201 NA MeJP NA NA +MJ098043 Dammar-24-ene-3,20-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H82O17 930.555201 NA MeJP NA NA +MJ098044 Dammar-24-ene-3,6,12,20-tetrol, Glycoside (2) C48H82O17 930.555201 NA MeJP NA NA +MJ098045 Septamycin; 27R-Hydroxy C48H82O17 930.555201 NA MeJP NA NA +PJ086299 GLLLKKEM C42H78N10O11S 930.5573 NA PeJP NA NA +PJ086300 PPVVLLFF C50H74N8O9 930.5579 NA PeJP NA NA +PJ086301 SSSLLLRR C39H74N14O12 930.5611 NA PeJP NA NA +PJ086302 PVVLLLMF C47H78N8O9S 930.5613 NA PeJP NA NA +PJ086303 VVKHHRR C40H70N18O8 930.5624 NA PeJP NA NA +PJ086304 PPLHRRR C40H70N18O8 930.5625 NA PeJP NA NA +PJ086305 VVLLLLMM C44H82N8O9S2 930.5647 NA PeJP NA NA +PJ086306 VDKKKKW C44H74N12O10 930.5651 NA PeJP NA NA +PJ086307 GKKMRRR C37H74N18O8S 930.5658 NA PeJP NA NA +PJ086308 GTLLLKMR C41H78N12O10S 930.5685 NA PeJP NA NA +PJ086309 PLLKKFW C49H74N10O8 930.5692 NA PeJP NA NA +PJ086310 SKKKERR C38H74N16O11 930.5723 NA PeJP NA NA +PJ086311 LLLKKMW C46H78N10O8S 930.5725 NA PeJP NA NA +PJ086312 STLLLKKE C42H78N10O13 930.575 NA PeJP NA NA +PJ086313 SVKKKRW C43H74N14O9 930.5764 NA PeJP NA NA +PJ086314 SPLLLLLY C47H78N8O11 930.579 NA PeJP NA NA +PJ086315 ALLLLLEF C47H78N8O11 930.5791 NA PeJP NA NA +PJ086316 LQKKKMR C40H78N14O9S 930.5797 NA PeJP NA NA +PJ086317 STKKRRR C37H74N18O10 930.5836 NA PeJP NA NA +PJ086318 STTLLLKR C41H78N12O12 930.5862 NA PeJP NA NA +PJ086319 STTIILKR C41H78N12O12 930.5863 NA PeJP NA NA +PJ086320 ALLFRRR C42H74N16O8 930.5876 NA PeJP NA NA +PJ086321 GPLLLKKY C46H78N10O10 930.5903 NA PeJP NA NA +PJ086322 CLKKKRR C39H78N16O8S 930.591 NA PeJP NA NA +PJ086323 SVLLLKKM C43H82N10O10S 930.5937 NA PeJP NA NA +PJ086324 GTTLKKKR C40H78N14O11 930.5975 NA PeJP NA NA +MJ098046 7,8-Dihydroscutionin à B C60H82O8 930.600969 NA MeJP NA NA +MJ098047 Cangorosin A C60H82O8 930.600969 NA MeJP NA NA +MJ098048 Isocangorosin A C60H82O8 930.600969 NA MeJP NA NA +PJ086325 TLKKKKW C45H78N12O9 930.6015 NA PeJP NA NA +PJ086326 GVLKKKKM C42H82N12O9S 930.6049 NA PeJP NA NA +PJ086327 VLLKFRR C44H78N14O8 930.6127 NA PeJP NA NA +PJ086328 ALLLLLLY C48H82N8O10 930.6154 NA PeJP NA NA +PJ086329 LKKKKMR C41H82N14O8S 930.6161 NA PeJP NA NA +PJ086330 SSLLKKKK C42H82N12O11 930.6226 NA PeJP NA NA +PJ086331 GLLLLKKF C47H82N10O9 930.6267 NA PeJP NA NA +PJ086332 GSKKKKKK C41H82N14O10 930.6339 NA PeJP NA NA +MJ098049 Huratoxin; 5-Deoxy, 6,7-deepoxy, 6,7-didehydro, 20-hexacosanoyl C60H98O7 930.731255 NA MeJP NA NA +HMDB05413 TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C61H102O6 930.767639 NA HMDB2010 NA NA +HMDB10465 TG(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] C61H102O6 930.767639 NA HMDB2010 NA NA +HMDB10478 TG(18:2(9Z,12Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C61H102O6 930.767639 NA HMDB2010 NA NA +HMDB10487 TG(18:2(9Z,12Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C61H102O6 930.767639 NA HMDB2010 NA NA +HMDB10494 TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))[iso3] C61H102O6 930.767639 NA HMDB2010 NA NA +HMDB05413 TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C61H102O6 930.76764 http://www.hmdb.ca/metabolites/HMDB05413 HMDB NA NA +HMDB05413 TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C61H102O6 930.76764 HMDB05413 PFEM_hmdb_metabocards_official NA NA +2684 NA GGTYSCHFGALTWVCKPQGG 930.946 MH2+ Inhouse_peptide NA peptide +3236 bombolitin II from venom of bumble bee (Megabombus SKITDILAKLGKVLAHVG 931.05895 MH2+ Inhouse_peptide NA peptide +PJ086333 GTCCCCCCH C30H49N11O11S6 931.1938 NA PeJP NA NA +C07160 2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetyl-CoA C31H48N7O18P3S 931.1989 NA KEGG NA NA +C07161 Transferred to D00386 C31H48N7O18P3S 931.1989 NA KEGG NA NA +C07162 Transferred to D00387 C31H48N7O18P3S 931.1989 NA KEGG NA NA +C11935 4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA C31H48N7O18P3S 931.1989 NA KEGG NA NA +MetaCyc04327 2-oxo-Δ3-4,5,5-trimethylcyclopentenylacetyl-CoA [] C31H48N7O18P3S1 931.198938 NA metacyc NA NA +PJ086334 GSCCCDDDD C30H45N9O19S3 931.1994 NA PeJP NA NA +PJ086335 GPCCCCCDE C31H49N9O14S5 931.2003 NA PeJP NA NA +MJ098050 Simocyclinone D4; 8'-Chloro C46H42ClNO18 931.209041 NA MeJP NA NA +PJ086336 SSSCCCCCH C30H49N11O13S5 931.2115 NA PeJP NA NA +PJ086337 PCCCCCDW C35H49N9O11S5 931.2156 NA PeJP NA NA +PJ086338 CCCNDDEM C31H49N9O16S4 931.2181 NA PeJP NA NA +PJ086339 PPTCCCCCC C32H53N9O11S6 931.2189 NA PeJP NA NA +PJ086340 CCCCCNHF C34H49N11O10S5 931.2268 NA PeJP NA NA +PJ086341 CCCCDDDR C30H49N11O15S4 931.2293 NA PeJP NA NA +PJ086342 GCCCDDMW C35H49N9O13S4 931.2333 NA PeJP NA NA +PJ086343 GSSCCDDDM C31H49N9O18S3 931.2358 NA PeJP NA NA +PJ086344 GSPCCCCEM C32H53N9O13S5 931.2367 NA PeJP NA NA +MJ098051 C-Curarine; 18-Hydroxy C40H44N4O22(+) 931.236894 NA MeJP NA NA +MJ098052 Caracurine II; Nb,Nb'-Di-Me C40H44N4O22(+) 931.236894 NA MeJP NA NA +MJ098053 Pradimicin T1 C42H45NO23 931.238236 NA MeJP NA NA +PJ086345 SCCCCNNW C34H49N11O12S4 931.2445 NA PeJP NA NA +PJ086346 GGGGSCCCCW C34H49N11O12S4 931.2446 NA PeJP NA NA +PJ086347 SSSCCCNND C30H49N11O17S3 931.247 NA PeJP NA NA +PJ086348 GGGGSSSCCCD C30H49N11O17S3 931.2471 NA PeJP NA NA +PJ086349 CCCNNNMM C31H53N11O12S5 931.2479 NA PeJP NA NA +PJ086350 CCCCEWW C39H49N9O10S4 931.2486 NA PeJP NA NA +PJ086351 SSCCCDEW C35H49N9O15S3 931.2511 NA PeJP NA NA +PJ086352 SPCCCCMW C36H53N9O10S5 931.2519 NA PeJP NA NA +PJ086353 SSSSCCDDE C31H49N9O20S2 931.2536 NA PeJP NA NA +PJ086354 SCCNDEMM C32H53N9O15S4 931.2544 NA PeJP NA NA +PJ086355 CCCDYYY C40H49N7O13S3 931.2551 NA PeJP NA NA +PJ086356 PCCCNMMM C33H57N9O10S6 931.2553 NA PeJP NA NA +PJ086357 CCCCCNQR C30H53N13O11S5 931.2591 NA PeJP NA NA +PJ086358 GGCCCCCQR C30H53N13O11S5 931.2592 NA PeJP NA NA +PJ086359 CCCNNNDF C34H49N11O14S3 931.2623 NA PeJP NA NA +PJ086360 SCCCDDMR C31H53N11O14S4 931.2657 NA PeJP NA NA +PJ086361 GCNDDDMY C35H49N9O17S2 931.2688 NA PeJP NA NA +PJ086362 GSCCDMMW C36H53N9O12S4 931.2697 NA PeJP NA NA +PJ086363 GSSSCDDMM C32H53N9O17S3 931.2722 NA PeJP NA NA +PJ086364 GCNDMMMM C33H57N9O12S5 931.2731 NA PeJP NA NA +PJ086365 SCCCNEHH C33H49N13O13S3 931.2735 NA PeJP NA NA +PJ086366 CCCMFYY C41H53N7O10S4 931.2737 NA PeJP NA NA +PJ086367 GSSCCCCNR C30H53N13O13S4 931.2769 NA PeJP NA NA +PJ086368 SNDDDDDH C33H45N11O21 931.2792 NA PeJP NA NA +PJ086369 SCCNNNDY C34H49N11O16S2 931.28 NA PeJP NA NA +PJ086370 GGSCCNNDY C34H49N11O16S2 931.2801 NA PeJP NA NA +PJ086371 SSSSCCNNM C31H53N11O16S3 931.2834 NA PeJP NA NA +PJ086372 CCNDEYW C39H49N9O14S2 931.2841 NA PeJP NA NA +PJ086373 GCCCEMMR C32H57N11O11S5 931.2843 NA PeJP NA NA +PJ086374 TCCCMWW C40H53N9O9S4 931.2849 NA PeJP NA NA +PJ086375 APCCCCFW C40H53N9O9S4 931.285 NA PeJP NA NA +PJ086376 SSCNDDEY C35H49N9O19S 931.2866 NA PeJP NA NA +PJ086377 SSSCCEMW C36H53N9O14S3 931.2874 NA PeJP NA NA +PJ086378 GGSPCCDMY C36H53N9O14S3 931.2875 NA PeJP NA NA +PJ086379 CCQMMMW C37H57N9O9S5 931.2883 NA PeJP NA NA +PJ086380 GSCCCHHW C37H49N13O10S3 931.2888 NA PeJP NA NA +PJ086381 SSSSSCDEM C32H53N9O19S2 931.2899 NA PeJP NA NA +PJ086382 SSCNEMMM C33H57N9O14S4 931.2908 NA PeJP NA NA +PJ086383 GSSSCCDHH C33H49N13O15S2 931.2913 NA PeJP NA NA +PJ086384 SCCMYYY C41H53N7O12S3 931.2915 NA PeJP NA NA +PJ086385 GCCNMMHH C34H53N13O10S4 931.2922 NA PeJP NA NA +PJ086386 DDEEMMY C37H53N7O17S2 931.294 NA PeJP NA NA +PJ086387 GPCCDDHW C38H49N11O13S2 931.2953 NA PeJP NA NA +PJ086388 CCCCCNKR C31H57N13O10S5 931.2955 NA PeJP NA NA +PJ086389 GNDDDEMH C34H49N11O18S 931.2978 NA PeJP NA NA +PJ086390 EEMMMMM C35H61N7O12S5 931.2982 NA PeJP NA NA +PJ086391 GCCNNQMY C35H53N11O13S3 931.2987 NA PeJP NA NA +PJ086392 GCCDYWW C43H49N9O11S2 931.2993 NA PeJP NA NA +PJ086393 CCCMMRW C36H57N11O8S5 931.2996 NA PeJP NA NA +PJ086394 GSSSSSSCCQ C31H53N11O18S2 931.3012 NA PeJP NA NA +PJ086395 GSSCDDYW C39H49N9O16S 931.3018 NA PeJP NA NA +PJ086396 GGGCDDDFF C39H49N9O16S 931.3019 NA PeJP NA NA +PJ086397 GTTCCCCNK C32H57N11O13S4 931.302 NA PeJP NA NA +PJ086398 SSCCDMMR C32H57N11O13S4 931.3021 NA PeJP NA NA +PJ086399 CCNNNNNH C32H49N15O14S2 931.3025 NA PeJP NA NA +PJ086400 GGGGGGGGCCNH C32H49N15O14S2 931.3026 NA PeJP NA NA +PJ086401 GPTCCCYW C40H53N9O11S3 931.3027 NA PeJP NA NA +PJ086402 ACCCCHHR C33H53N15O9S4 931.3034 NA PeJP NA NA +PJ086403 GSSSSDDDY C35H49N9O21 931.3043 NA PeJP NA NA +PJ086404 GSPPDDDDD C35H49N9O21 931.3044 NA PeJP NA NA +PJ086405 GSNDDMMY C36H53N9O16S2 931.3052 NA PeJP NA NA +PJ086406 GSSCMMMW C37H57N9O11S4 931.3061 NA PeJP NA NA +PJ086407 GCCNDHHF C37H49N13O12S2 931.3066 NA PeJP NA NA +PJ086408 CCCFFFY C45H53N7O9S3 931.3067 NA PeJP NA NA +PJ086409 DDDEEFY C40H49N7O19 931.3084 NA PeJP NA NA +PJ086410 GSSSSDMMM C33H57N9O16S3 931.3086 NA PeJP NA NA +PJ086411 SCNNNDEH C33H49N13O17S 931.309 NA PeJP NA NA +PJ086412 GCDDDDHR C33H49N13O17S 931.3091 NA PeJP NA NA +PJ086413 GSNMMMMM C34H61N9O11S5 931.3094 NA PeJP NA NA +PJ086414 GGGSMMMMM C34H61N9O11S5 931.3095 NA PeJP NA NA +PJ086415 GCCCNNRY C34H53N13O12S3 931.3099 NA PeJP NA NA +PJ086416 DEEMMMF C38H57N7O14S3 931.3126 NA PeJP NA NA +PJ086417 NDDDMHW C38H49N11O15S 931.3131 NA PeJP NA NA +PJ086418 CCCDFRW C39H53N11O10S3 931.3139 NA PeJP NA NA +PJ086419 SSNDDEEH C34H49N11O20 931.3156 NA PeJP NA NA +PJ086420 GSCCDERY C35H53N11O15S2 931.3164 NA PeJP NA NA +PJ086421 GGGGGGSSCMY C35H53N11O15S2 931.3165 NA PeJP NA NA +PJ086422 GPCCCMRY C36H57N11O10S4 931.3173 NA PeJP NA NA +PJ086423 GCCMFWW C44H53N9O8S3 931.318 NA PeJP NA NA +PJ086424 SSSSSSSSCN C31H53N11O20S 931.3189 NA PeJP NA NA +PJ086425 NNDDEYY C39H49N9O18 931.3196 NA PeJP NA NA +PJ086426 SSSSCCCQK C32H57N11O15S3 931.3198 NA PeJP NA NA +PJ086427 SCNEMYW C40H53N9O13S2 931.3205 NA PeJP NA NA +PJ086428 GTCCMMMR C33H61N11O10S5 931.3207 NA PeJP NA NA +PJ086429 SSCCCHHR C33H53N15O11S3 931.3212 NA PeJP NA NA +PJ086430 SSTCDQEY C36H53N9O18S 931.3229 NA PeJP NA NA +PJ086431 SSSNDEMY C36H53N9O18S 931.323 NA PeJP NA NA +PJ086432 SSSTCMMW C37H57N9O13S3 931.3238 NA PeJP NA NA +PJ086433 GSCNNDHW C37H49N13O14S 931.3243 NA PeJP NA NA +PJ086434 ACCFYYY C45H53N7O11S2 931.3245 NA PeJP NA NA +PJ086435 CCKMMMW C38H61N9O8S5 931.3247 NA PeJP NA NA +PJ086436 SSSSSSEMM C33H57N9O18S2 931.3263 NA PeJP NA NA +PJ086437 GSSSNNDDH C33H49N13O19 931.3268 NA PeJP NA NA +PJ086438 PDDEMYY C41H53N7O16S 931.327 NA PeJP NA NA +PJ086439 SSSQMMMM C34H61N9O13S4 931.3272 NA PeJP NA NA +PJ086440 SPCCDDHR C34H53N13O14S2 931.3277 NA PeJP NA NA +PJ086441 GCDEHWW C42H49N11O12S 931.3283 NA PeJP NA NA +PJ086442 ACCCKMHH C35H57N13O9S4 931.3286 NA PeJP NA NA +PJ086443 TEEEMMY C38H57N7O16S2 931.3304 NA PeJP NA NA +PJ086444 GSSDDEHW C38H49N11O17 931.3308 NA PeJP NA NA +PJ086445 GGGGGPDDDW C38H49N11O17 931.3309 NA PeJP NA NA +PJ086446 PEMMMMY C39H61N7O11S4 931.3312 NA PeJP NA NA +PJ086447 SCCDRYW C39H53N11O12S2 931.3317 NA PeJP NA NA +PJ086448 SSSCDDRY C35H53N11O17S 931.3342 NA PeJP NA NA +PJ086449 GNDDYYW C43H49N9O15 931.3348 NA PeJP NA NA +PJ086450 GGGDDYYW C43H49N9O15 931.3349 NA PeJP NA NA +PJ086451 CNDMMRY C36H57N11O12S3 931.3351 NA PeJP NA NA +PJ086452 GSCMYWW C44H53N9O10S2 931.3357 NA PeJP NA NA +PJ086453 CMMHHHH C37H53N15O8S3 931.3364 NA PeJP NA NA +PJ086454 GSSSSSSCCK C32H57N11O17S2 931.3376 NA PeJP NA NA +PJ086455 NNNNNNND C32H49N15O18 931.338 NA PeJP NA NA +PJ086456 GGGGGGNNNND C32H49N15O18 931.3381 NA PeJP NA NA +PJ086457 GSSSDMYW C40H53N9O15S 931.3382 NA PeJP NA NA +PJ086458 SSSCMMMR C33H61N11O12S4 931.3384 NA PeJP NA NA +PJ086459 GCCNNEHR C33H53N15O13S2 931.3389 NA PeJP NA NA +PJ086460 GNMMMYW C41H57N9O10S3 931.3391 NA PeJP NA NA +PJ086461 GSSSSSEEY C36H53N9O20 931.3407 NA PeJP NA NA +PJ086462 GSSQEMMY C37H57N9O15S2 931.3416 NA PeJP NA NA +PJ086463 GNNNDDHF C37H49N13O16 931.3421 NA PeJP NA NA +PJ086464 GTCYYYY C45H53N7O13S 931.3422 NA PeJP NA NA +PJ086465 NQMMMMF C38H61N9O10S4 931.3424 NA PeJP NA NA +PJ086466 GPCCKMMY C38H61N9O10S4 931.3425 NA PeJP NA NA +PJ086467 CNNQMHW C38H53N13O11S2 931.3429 NA PeJP NA NA +PJ086468 GGGGGACMHW C38H53N13O11S2 931.343 NA PeJP NA NA +PJ086469 CDHWWW C46H49N11O9S 931.3436 NA PeJP NA NA +PJ086470 AEEEEYY C41H53N7O18 931.3447 NA PeJP NA NA +PJ086471 GSSSTTMMM C34H61N9O15S3 931.345 NA PeJP NA NA +PJ086472 GSDDDMHR C34H53N13O16S 931.3454 NA PeJP NA NA +PJ086473 GGGGGGSSEMH C34H53N13O16S 931.3455 NA PeJP NA NA +PJ086474 PDEMMFY C42H57N7O13S2 931.3456 NA PeJP NA NA +PJ086475 GTCKMMMM C35H65N9O10S5 931.3458 NA PeJP NA NA +PJ086476 SSDDHWW C42H49N11O14 931.3461 NA PeJP NA NA +PJ086477 CCCERRY C35H57N13O11S3 931.3463 NA PeJP NA NA +PJ086478 GCNNNHHH C35H49N17O12S 931.3468 NA PeJP NA NA +PJ086479 PTCCHWW C43H53N11O9S2 931.347 NA PeJP NA NA +PJ086480 VEEMMMY C39H61N7O13S3 931.349 NA PeJP NA NA +PJ086481 NNNNMYY C39H53N11O14S 931.3494 NA PeJP NA NA +PJ086482 SNEEMHW C39H53N11O14S 931.3495 NA PeJP NA NA +PJ086483 ACCMRYW C40H57N11O9S3 931.3503 NA PeJP NA NA +PJ086484 CDHHHHF C40H49N15O10S 931.3508 NA PeJP NA NA +PJ086485 SSSSSSNNY C35H53N11O19 931.3519 NA PeJP NA NA +PJ086486 GGGGSSSSSSY C35H53N11O19 931.352 NA PeJP NA NA +PJ086487 GSSCEMRY C36H57N11O14S2 931.3528 NA PeJP NA NA +PJ086488 GGGGGGPPDMM C36H57N11O14S2 931.3529 NA PeJP NA NA +PJ086489 GSNDEHHH C36H49N15O15 931.3533 NA PeJP NA NA +PJ086490 SSTCYWW C44H53N9O12S 931.3535 NA PeJP NA NA +PJ086491 CNMMMFR C37H61N11O9S4 931.3537 NA PeJP NA NA +PJ086492 CCNNHRW C37H53N15O10S2 931.3542 NA PeJP NA NA +PJ086493 SSSSSEYW C40H53N9O17 931.356 NA PeJP NA NA +PJ086494 SSSSCCCKK C33H61N11O14S3 931.3562 NA PeJP NA NA +PJ086495 SSCNNDHR C33H53N15O15S 931.3567 NA PeJP NA NA +PJ086496 SSQMMYW C41H57N9O12S2 931.3568 NA PeJP NA NA +PJ086497 PPPTCCEW C41H57N9O12S2 931.3569 NA PeJP NA NA +PJ086498 SSSTQEMY C37H57N9O17S 931.3593 NA PeJP NA NA +PJ086499 SPPNEEEM C37H57N9O17S 931.3594 NA PeJP NA NA +PJ086500 SSSYYYY C45H53N7O15 931.36 NA PeJP NA NA +PJ086501 NDKMMMY C38H61N9O12S3 931.3602 NA PeJP NA NA +PJ086502 SCDEHRW C38H53N13O13S 931.3607 NA PeJP NA NA +PJ086503 PCCMHRW C39H57N13O8S3 931.3616 NA PeJP NA NA +PJ086504 SSSSTTTMM C34H61N9O17S2 931.3627 NA PeJP NA NA +PJ086505 SSSDDEHR C34H53N13O18 931.3632 NA PeJP NA NA +PJ086506 PTEEMYY C42H57N7O15S 931.3634 NA PeJP NA NA +PJ086507 SSSKMMMM C35H65N9O12S4 931.3636 NA PeJP NA NA +PJ086508 ATNNNMMH C35H57N13O13S2 931.364 NA PeJP NA NA +PJ086509 NDEMMHR C35H57N13O13S2 931.3641 NA PeJP NA NA +PJ086510 PPMMMYY C43H61N7O10S3 931.3642 NA PeJP NA NA +PJ086511 GSEMHWW C43H53N11O11S 931.3647 NA PeJP NA NA +PJ086512 PDDDERW C39H53N11O16 931.3672 NA PeJP NA NA +PJ086513 LEMMMMF C40H65N7O10S4 931.3676 NA PeJP NA NA +PJ086514 SSCMRYW C40H57N11O11S2 931.3681 NA PeJP NA NA +PJ086515 SNDHHHW C40H49N15O12 931.3686 NA PeJP NA NA +PJ086516 CQFYWW C48H53N9O9S 931.3687 NA PeJP NA NA +PJ086517 SSSSDMRY C36H57N11O16S 931.3706 NA PeJP NA NA +PJ086518 GPEEEWW C44H53N9O14 931.3712 NA PeJP NA NA +PJ086519 GGGGDEFFF C44H53N9O14 931.3713 NA PeJP NA NA +PJ086520 SNMMMRY C37H61N11O11S3 931.3714 NA PeJP NA NA +PJ086521 GGSMMMRY C37H61N11O11S3 931.3715 NA PeJP NA NA +PJ086522 NQEMHHH C37H53N15O12S 931.3719 NA PeJP NA NA +PJ086523 GGGGGGPPCHH C37H53N15O12S 931.372 NA PeJP NA NA +PJ086524 GNMMFFW C45H57N9O9S2 931.3721 NA PeJP NA NA +PJ086525 GNNNNDER C33H53N15O17 931.3744 NA PeJP NA NA +PJ086526 GGGGGGGNDER C33H53N15O17 931.3745 NA PeJP NA NA +PJ086527 GSSTTMYW C41H57N9O14S 931.3746 NA PeJP NA NA +PJ086528 NFYYYY C49H53N7O12 931.3752 NA PeJP NA NA +PJ086529 CDDMHRR C34H57N15O12S2 931.3753 NA PeJP NA NA +PJ086530 ACKMMYW C42H61N9O9S3 931.3755 NA PeJP NA NA +PJ086531 CNQHHFF C42H53N13O10S 931.3759 NA PeJP NA NA +PJ086532 GGCQHHFF C42H53N13O10S 931.376 NA PeJP NA NA +PJ086533 GSSSTTTEY C37H57N9O19 931.3771 NA PeJP NA NA +PJ086534 GSSKEMMY C38H61N9O14S2 931.378 NA PeJP NA NA +PJ086535 SSSSNQHW C38H53N13O15 931.3784 NA PeJP NA NA +PJ086536 GGGGSSSTHW C38H53N13O15 931.3785 NA PeJP NA NA +PJ086537 PPDMFYY C46H57N7O12S 931.3786 NA PeJP NA NA +PJ086538 NKMMMMF C39H65N9O9S4 931.3788 NA PeJP NA NA +PJ086539 GGKMMMMF C39H65N9O9S4 931.3789 NA PeJP NA NA +PJ086540 GDMMHRW C39H57N13O10S2 931.3793 NA PeJP NA NA +PJ086541 SMHWWW C47H53N11O8S 931.38 NA PeJP NA NA +PJ086542 SLEEEYY C42H57N7O17 931.3811 NA PeJP NA NA +PJ086543 GSSEEMHR C35H57N13O15S 931.3818 NA PeJP NA NA +PJ086544 GGGGGGGGAASPM C35H57N13O15S 931.3819 NA PeJP NA NA +PJ086545 PVEMMYY C43H61N7O12S2 931.382 NA PeJP NA NA +PJ086546 SSTEHWW C43H53N11O13 931.3825 NA PeJP NA NA +PJ086547 TCCMRRY C36H61N13O10S3 931.3827 NA PeJP NA NA +PJ086548 CNEHHHR C36H53N17O11S 931.3832 NA PeJP NA NA +PJ086549 AAMMHWW C44H57N11O8S2 931.3833 NA PeJP NA NA +PJ086550 SDKEMHW C40H57N11O13S 931.3858 NA PeJP NA NA +PJ086551 GGGAPQEMW C40H57N11O13S 931.3859 NA PeJP NA NA +PJ086552 PEEWWW C48H53N9O11 931.3865 NA PeJP NA NA +PJ086553 PCKMMHW C41H61N11O8S3 931.3867 NA PeJP NA NA +PJ086554 GQMHHHW C41H53N15O9S 931.3872 NA PeJP NA NA +PJ086555 ASPDEEER C36H57N11O18 931.3883 NA PeJP NA NA +PJ086556 GSPEEEER C36H57N11O18 931.3884 NA PeJP NA NA +PJ086557 GSSTMMRY C37H61N11O13S2 931.3892 NA PeJP NA NA +PJ086558 NNNNDRW C37H53N15O14 931.3897 NA PeJP NA NA +PJ086559 SPPEMWW C45H57N9O11S 931.3899 NA PeJP NA NA +PJ086560 APCCKHHH C38H57N15O9S2 931.3906 NA PeJP NA NA +PJ086561 NNHHHHH C38H49N19O10 931.391 NA PeJP NA NA +PJ086562 SSSTTTYW C41H57N9O16 931.3923 NA PeJP NA NA +PJ086563 PDKEEEW C41H57N9O16 931.3924 NA PeJP NA NA +PJ086564 SSSNNMHR C34H57N15O14S 931.393 NA PeJP NA NA +PJ086565 GPCNDDRR C34H57N15O14S 931.3931 NA PeJP NA NA +PJ086566 SSKMMYW C42H61N9O11S2 931.3932 NA PeJP NA NA +PJ086567 GNNQQWW C42H53N13O12 931.3937 NA PeJP NA NA +PJ086568 SSSTKEMY C38H61N9O16S 931.3957 NA PeJP NA NA +PJ086569 GGAPLEEEM C38H61N9O16S 931.3958 NA PeJP NA NA +PJ086570 PPTEYYY C46H57N7O14 931.3964 NA PeJP NA NA +PJ086571 TQKMMMY C39H65N9O11S3 931.3966 NA PeJP NA NA +PJ086572 SSEMHRW C39H57N13O12S 931.3971 NA PeJP NA NA +PJ086573 PPMMFFY C47H61N7O9S2 931.3973 NA PeJP NA NA +PJ086574 GSPNWWW C47H53N11O10 931.3977 NA PeJP NA NA +PJ086575 GCHHHRW C40H53N17O8S 931.3984 NA PeJP NA NA +PJ086576 SSSTEEHR C35H57N13O17 931.3996 NA PeJP NA NA +PJ086577 VVEEMYY C43H61N7O14S 931.3998 NA PeJP NA NA +PJ086578 TQEMMHR C36H61N13O12S2 931.4004 NA PeJP NA NA +PJ086579 GATEMMHR C36H61N13O12S2 931.4005 NA PeJP NA NA +PJ086580 PLMMMFY C44H65N7O9S3 931.4006 NA PeJP NA NA +PJ086581 GSSDHHHR C36H53N17O13 931.4009 NA PeJP NA NA +PJ086582 ATTMHWW C44H57N11O10S 931.4011 NA PeJP NA NA +PJ086583 SPEEERW C40H57N11O15 931.4036 NA PeJP NA NA +PJ086584 LLMMMMY C41H69N7O9S4 931.404 NA PeJP NA NA +PJ086585 PPDMMRW C41H61N11O10S2 931.4045 NA PeJP NA NA +PJ086586 STQHHHW C41H53N15O11 931.4049 NA PeJP NA NA +PJ086587 GGGGPQHHW C41H53N15O11 931.405 NA PeJP NA NA +PJ086588 CKFYWW C49H57N9O8S 931.4051 NA PeJP NA NA +PJ086589 SSSTTMRY C37H61N11O15S 931.407 NA PeJP NA NA +PJ086590 SPVEEWW C45H57N9O13 931.4076 NA PeJP NA NA +PJ086591 TCKMMRY C38H65N11O10S3 931.4078 NA PeJP NA NA +PJ086592 GGGVLMMMH C38H65N11O10S3 931.4079 NA PeJP NA NA +PJ086593 NNNMHFR C38H57N15O11S 931.4083 NA PeJP NA NA +PJ086594 PPCLMWW C46H61N9O8S2 931.4085 NA PeJP NA NA +PJ086595 NNDEERR C34H57N15O16 931.4108 NA PeJP NA NA +PJ086596 GGGGGGGGGGGGTK C34H57N15O16 931.4109 NA PeJP NA NA +PJ086597 PLQEEMW C42H61N9O13S 931.411 NA PeJP NA NA +PJ086598 PPDFFFY C50H57N7O11 931.4116 NA PeJP NA NA +PJ086599 SDMMHRR C35H61N15O11S2 931.4117 NA PeJP NA NA +PJ086600 GPCQRWW C43H57N13O9S 931.4123 NA PeJP NA NA +PJ086601 AHFWWW C51H53N11O7 931.413 NA PeJP NA NA +PJ086602 SSSSSTTLY C38H61N9O18 931.4135 NA PeJP NA NA +PJ086603 GTTTKMMY C39H65N9O13S2 931.4144 NA PeJP NA NA +PJ086604 GQQEERW C39H57N13O14 931.4148 NA PeJP NA NA +PJ086605 GGGAAEERW C39H57N13O14 931.4149 NA PeJP NA NA +PJ086606 PPVMYYY C47H61N7O11S 931.415 NA PeJP NA NA +PJ086607 ATMMHRW C40H61N13O9S2 931.4157 NA PeJP NA NA +PJ086608 VEHHHHH C40H53N17O10 931.4162 NA PeJP NA NA +PJ086609 PDEEMRR C36H61N13O14S 931.4182 NA PeJP NA NA +PJ086610 VLEMMFY C44H65N7O11S2 931.4184 NA PeJP NA NA +PJ086611 TTTTHWW C44H57N11O12 931.4188 NA PeJP NA NA +PJ086612 GVQQEWW C44H57N11O12 931.4189 NA PeJP NA NA +PJ086613 VQMMMHR C37H65N13O9S3 931.4191 NA PeJP NA NA +PJ086614 SQMHHHR C37H57N17O10S 931.4195 NA PeJP NA NA +PJ086615 GGTMHHHR C37H57N17O10S 931.4196 NA PeJP NA NA +PJ086616 AHHHHFF C45H53N15O8 931.4202 NA PeJP NA NA +PJ086617 GSNNNDRR C33H57N17O15 931.422 NA PeJP NA NA +PJ086618 GGGSNNDRR C33H57N17O15 931.4221 NA PeJP NA NA +PJ086619 PVDEMRW C41H61N11O12S 931.4222 NA PeJP NA NA +PJ086620 GGGGGGPPVMF C41H61N11O12S 931.4223 NA PeJP NA NA +PJ086621 SKYYWW C49H57N9O10 931.4229 NA PeJP NA NA +PJ086622 PPCHHRW C42H57N15O8S 931.4236 NA PeJP NA NA +PJ086623 LQEEEER C37H61N11O17 931.4247 NA PeJP NA NA +PJ086624 GGGGGLKEEE C37H61N11O17 931.4248 NA PeJP NA NA +PJ086625 APPTEMMR C38H65N11O12S2 931.4256 NA PeJP NA NA +PJ086626 GNDERRW C38H57N15O13 931.4261 NA PeJP NA NA +PJ086627 APLEMWW C46H61N9O10S 931.4262 NA PeJP NA NA +PJ086628 PVVDMWW C46H61N9O10S 931.4263 NA PeJP NA NA +PJ086629 VLQEEEW C42H61N9O15 931.4287 NA PeJP NA NA +PJ086630 LLNEEEW C42H61N9O15 931.4288 NA PeJP NA NA +PJ086631 GSPNDMRR C35H61N15O13S 931.4294 NA PeJP NA NA +PJ086632 GGGSPDMRR C35H61N15O13S 931.4295 NA PeJP NA NA +PJ086633 GPPTLMMW C43H65N9O10S2 931.4296 NA PeJP NA NA +PJ086634 QQERWW C43H57N13O11 931.4301 NA PeJP NA NA +PJ086635 AMMMHRR C36H65N15O8S3 931.4303 NA PeJP NA NA +PJ086636 SCHHHRR C36H57N19O9S 931.4308 NA PeJP NA NA +PJ086637 STTTTKMY C39H65N9O15S 931.4321 NA PeJP NA NA +PJ086638 PVVEYYY C47H61N7O13 931.4328 NA PeJP NA NA +PJ086639 TKKMMMY C40H69N9O10S3 931.433 NA PeJP NA NA +PJ086640 SPQQMRW C40H61N13O11S 931.4334 NA PeJP NA NA +PJ086641 TTTMHRW C40H61N13O11S 931.4335 NA PeJP NA NA +PJ086642 PLMMFFF C48H65N7O8S2 931.4336 NA PeJP NA NA +PJ086643 VQQWWW C48H57N11O9 931.4341 NA PeJP NA NA +PJ086644 SSPTQQER C36H61N13O16 931.4359 NA PeJP NA NA +PJ086645 VDEEERR C36H61N13O16 931.436 NA PeJP NA NA +PJ086646 TLLEMYY C44H65N7O13S 931.4361 NA PeJP NA NA +PJ086647 TKEMMHR C37H65N13O11S2 931.4368 NA PeJP NA NA +PJ086648 GGGGGPLMMR C37H65N13O11S2 931.4369 NA PeJP NA NA +PJ086649 LLMMMFF C45H69N7O8S3 931.437 NA PeJP NA NA +PJ086650 PDDHHRR C37H57N17O12 931.4373 NA PeJP NA NA +PJ086651 GPQKMWW C45H61N11O9S 931.4375 NA PeJP NA NA +PJ086652 ALEEERW C41H61N11O14 931.44 NA PeJP NA NA +PJ086653 NNNQMRR C34H61N17O12S 931.4407 NA PeJP NA NA +PJ086654 SLKMMHW C42H65N11O9S2 931.4408 NA PeJP NA NA +PJ086655 VTKMMHW C42H65N11O9S2 931.4409 NA PeJP NA NA +PJ086656 NDRRWW C42H57N15O10 931.4413 NA PeJP NA NA +PJ086657 STTLDKMH C38H65N11O14S 931.4433 NA PeJP NA NA +PJ086658 GPTLEEMR C38H65N11O14S 931.4434 NA PeJP NA NA +PJ086659 GLLEEWW C46H61N9O12 931.444 NA PeJP NA NA +PJ086660 GPPLMMMR C39H69N11O9S3 931.4442 NA PeJP NA NA +PJ086661 SPCQRRW C39H61N15O10S 931.4447 NA PeJP NA NA +PJ086662 AQRWWW C47H57N13O8 931.4453 NA PeJP NA NA +PJ086663 GAARWWW C47H57N13O8 931.4454 NA PeJP NA NA +PJ086664 SQQEERR C35H61N15O15 931.4472 NA PeJP NA NA +PJ086665 PLKEEMW C43H65N9O12S 931.4474 NA PeJP NA NA +PJ086666 PPVFFYY C51H61N7O10 931.448 NA PeJP NA NA +PJ086667 TTMMHRR C36H65N15O10S2 931.4481 NA PeJP NA NA +PJ086668 GPCKRWW C44H61N13O8S 931.4487 NA PeJP NA NA +PJ086669 GVLKEEEE C39H65N9O17 931.4499 NA PeJP NA NA +PJ086670 ASPPVVTMM C40H69N9O12S2 931.4507 NA PeJP NA NA +PJ086671 SPPLKEMM C40H69N9O12S2 931.4508 NA PeJP NA NA +PJ086672 GQKEERW C40H61N13O13 931.4512 NA PeJP NA NA +PJ086673 GGGGGGGAAPKF C40H61N13O13 931.4513 NA PeJP NA NA +PJ086674 PVLMFYY C48H65N7O10S 931.4514 NA PeJP NA NA +PJ086675 CNNNRRR C33H61N19O11S 931.4519 NA PeJP NA NA +PJ086676 CCKKKHW C41H65N13O8S2 931.4521 NA PeJP NA NA +PJ086677 AQHHHFR C41H57N17O9 931.4526 NA PeJP NA NA +PJ086678 SSTTLMHR C37H65N13O13S 931.4546 NA PeJP NA NA +PJ086679 VLLMMYY C45H69N7O10S2 931.4548 NA PeJP NA NA +PJ086680 GVQKEWW C45H61N11O11 931.4552 NA PeJP NA NA +PJ086681 GGGLKEWW C45H61N11O11 931.4553 NA PeJP NA NA +PJ086682 VKMMMHR C38H69N13O8S3 931.4555 NA PeJP NA NA +PJ086683 SKMHHHR C38H61N17O9S 931.4559 NA PeJP NA NA +PJ086684 SNDERRR C34H61N17O14 931.4584 NA PeJP NA NA +PJ086685 GGGGGGGTTRR C34H61N17O14 931.4585 NA PeJP NA NA +PJ086686 PTLEMRW C42H65N11O11S 931.4586 NA PeJP NA NA +PJ086687 LLEWWW C50H61N9O9 931.4593 NA PeJP NA NA +PJ086688 MHFRRW C43H61N15O7S 931.46 NA PeJP NA NA +PJ086689 LKEEEER C38H65N11O16 931.4611 NA PeJP NA NA +PJ086690 GPVLEMMR C39H69N11O11S2 931.462 NA PeJP NA NA +PJ086691 ASQERRW C39H61N15O12 931.4624 NA PeJP NA NA +PJ086692 GTQERRW C39H61N15O12 931.4625 NA PeJP NA NA +PJ086693 SPLLMWW C47H65N9O9S 931.4626 NA PeJP NA NA +PJ086694 VLKEEEW C43H65N9O14 931.4651 NA PeJP NA NA +PJ086695 GGAPLLEEF C43H65N9O14 931.4652 NA PeJP NA NA +PJ086696 VNQEMRR C36H65N15O12S 931.4658 NA PeJP NA NA +PJ086697 GGGGGGGVKMR C36H65N15O12S 931.4659 NA PeJP NA NA +PJ086698 AAPLLMMW C44H69N9O9S2 931.466 NA PeJP NA NA +3657 NA VTKFYFQ 931.466 ACE inhibitor Inhouse_peptide NA peptide +PJ086699 QKERWW C44H61N13O10 931.4665 NA PeJP NA NA +PJ086700 SPVLKEEM C40H69N9O14S 931.4685 NA PeJP NA NA +PJ086701 PTLLYYY C48H65N7O12 931.4691 NA PeJP NA NA +PJ086702 TLLEFFY C48H65N7O12 931.4692 NA PeJP NA NA +PJ086703 PPVVKMMM C41H73N9O9S3 931.4694 NA PeJP NA NA +PJ086704 SPQKMRW C41H65N13O10S 931.4698 NA PeJP NA NA +PJ086705 GGPTKMRW C41H65N13O10S 931.4699 NA PeJP NA NA +PJ086706 VQKWWW C49H61N11O8 931.4705 NA PeJP NA NA +PJ086707 NKKEEER C37H65N13O15 931.4723 NA PeJP NA NA +PJ086708 TLEEERR C37H65N13O15 931.4724 NA PeJP NA NA +PJ086709 PLEMMRR C38H69N13O10S2 931.4732 NA PeJP NA NA +PJ086710 GSDRRRW C38H61N17O11 931.4737 NA PeJP NA NA +PJ086711 GPKKMWW C46H65N11O8S 931.4739 NA PeJP NA NA +PJ086712 SLLEERW C42H65N11O13 931.4764 NA PeJP NA NA +PJ086713 CNQQKRR C35H65N17O11S 931.477 NA PeJP NA NA +PJ086714 GQEMRRR C35H65N17O11S 931.4771 NA PeJP NA NA +PJ086715 PVLMMRW C43H69N11O8S2 931.4772 NA PeJP NA NA +PJ086716 TQRRWW C43H61N15O9 931.4777 NA PeJP NA NA +PJ086717 SSPLLEMR C39H69N11O13S 931.4797 NA PeJP NA NA +PJ086718 AALLEEMR C39H69N11O13S 931.4798 NA PeJP NA NA +MJ098054 Discobahamin A C47H65N9O11 931.480353 NA MeJP NA NA +PJ086719 SVLLEWW C47H65N9O11 931.4804 NA PeJP NA NA +PJ086720 GVQMRRW C40H65N15O9S 931.4811 NA PeJP NA NA +PJ086721 AKRWWW C48H61N13O7 931.4817 NA PeJP NA NA +PJ086722 SQKEERR C36H65N15O14 931.4836 NA PeJP NA NA +PJ086723 SLKKMYY C44H69N9O11S 931.4837 NA PeJP NA NA +PJ086724 LLLQEMW C44H69N9O11S 931.4838 NA PeJP NA NA +PJ086725 PVLFFFY C52H65N7O9 931.4844 NA PeJP NA NA +PJ086726 PNKMMRR C37H69N15O9S2 931.4845 NA PeJP NA NA +PJ086727 AQQHHRR C37H61N19O10 931.4849 NA PeJP NA NA +PJ086728 ATLLKEEE C40H69N9O16 931.4863 NA PeJP NA NA +PJ086729 APLLKEMM C41H73N9O11S2 931.4871 NA PeJP NA NA +PJ086730 GKKEERW C41H65N13O12 931.4876 NA PeJP NA NA +PJ086731 VLLMFFY C49H69N7O9S 931.4878 NA PeJP NA NA +PJ086732 GCERRRR C34H65N19O10S 931.4883 NA PeJP NA NA +PJ086733 AKHHHFR C42H61N17O8 931.4889 NA PeJP NA NA +PJ086734 VLEEMRR C38H69N13O12S 931.491 NA PeJP NA NA +PJ086735 GVKKEWW C46H65N11O10 931.4916 NA PeJP NA NA +PJ086736 QMRRRW C39H65N17O8S 931.4923 NA PeJP NA NA +PJ086737 STQERRR C35H65N17O13 931.4948 NA PeJP NA NA +PJ086738 VVLEMRW C43H69N11O10S 931.495 NA PeJP NA NA +PJ086739 APLLFWW C51H65N9O8 931.4957 NA PeJP NA NA +PJ086740 GNHHRRR C36H61N21O9 931.4962 NA PeJP NA NA +PJ086741 ATTLLEER C39H69N11O15 931.4975 NA PeJP NA NA +PJ086742 APTLLMMR C40H73N11O10S2 931.4984 NA PeJP NA NA +PJ086743 GTKERRW C40H65N15O11 931.4988 NA PeJP NA NA +PJ086744 GGGGSKKRW C40H65N15O11 931.4989 NA PeJP NA NA +2672 synthetic fr, of human beta-CN (122-129) ACE inhibitor ENLHLPLP 931.4989 NA Inhouse_peptide NA peptide +PJ086745 ALLLMWW C48H69N9O8S 931.499 NA PeJP NA NA +PJ086746 GTTLLLEW C44H69N9O13 931.5015 NA PeJP NA NA +PJ086747 VNKEMRR C37H69N15O11S 931.5022 NA PeJP NA NA +PJ086748 KKERWW C45H65N13O9 931.5029 NA PeJP NA NA +PJ086749 CRRRRW C38H65N19O7S 931.5036 NA PeJP NA NA +PJ086750 GLLLKEEM C41H73N9O13S 931.5049 NA PeJP NA NA +PJ086751 VVLLYYY C49H69N7O11 931.5055 NA PeJP NA NA +PJ086752 SSDRRRR C34H65N19O12 931.5061 NA PeJP NA NA +PJ086753 SPKKMRW C42H69N13O9S 931.5062 NA PeJP NA NA +PJ086754 VKKWWW C50H65N11O7 931.5069 NA PeJP NA NA +PJ086755 DKKKEER C38H69N13O14 931.5087 NA PeJP NA NA +PJ086756 GGGGATKKKE C38H69N13O14 931.5088 NA PeJP NA NA +PJ086757 AAPKKMMR C39H73N13O9S2 931.5096 NA PeJP NA NA +PJ086758 GTTRRRW C39H65N17O10 931.5101 NA PeJP NA NA +PJ086759 TLQKKEW C43H69N11O12 931.5127 NA PeJP NA NA +PJ086760 VDKKKEW C43H69N11O12 931.5128 NA PeJP NA NA +PJ086761 SVQMRRR C36H69N17O10S 931.5134 NA PeJP NA NA +PJ086762 GKEMRRR C36H69N17O10S 931.5135 NA PeJP NA NA +PJ086763 TKRRWW C44H65N15O8 931.5141 NA PeJP NA NA +PJ086764 GTLLLEMR C40H73N11O12S 931.5161 NA PeJP NA NA +PJ086765 TTLLLWW C48H69N9O10 931.5168 NA PeJP NA NA +PJ086766 GVKMRRW C41H69N15O8S 931.5175 NA PeJP NA NA +PJ086767 SKKEERR C37H69N15O13 931.52 NA PeJP NA NA +PJ086768 LLLKEMW C45H73N9O10S 931.5202 NA PeJP NA NA +PJ086769 VLLFFFF C53H69N7O8 931.5208 NA PeJP NA NA +PJ086770 PPNHRRR C38H65N19O9 931.5213 NA PeJP NA NA +PJ086771 VTTILKEE C41H73N9O15 931.5226 NA PeJP NA NA +PJ086772 STLLLKEE C41H73N9O15 931.5227 NA PeJP NA NA +PJ086773 SPLLLKMM C42H77N9O10S2 931.5235 NA PeJP NA NA +PJ086774 SVKKERW C42H69N13O11 931.524 NA PeJP NA NA +PJ086775 GTMRRRR C35H69N19O9S 931.5247 NA PeJP NA NA +PJ086776 LQKKEMR C39H73N13O11S 931.5274 NA PeJP NA NA +PJ086777 ATLKKWW C47H69N11O9 931.528 NA PeJP NA NA +PJ086778 KMRRRW C40H69N17O7S 931.5287 NA PeJP NA NA +PJ086779 STKERRR C36H69N17O12 931.5312 NA PeJP NA NA +PJ086780 TLLLMRW C44H73N11O9S 931.5314 NA PeJP NA NA +PJ086781 STTLLLER C40H73N11O14 931.5339 NA PeJP NA NA +PJ086782 GVLLLMMR C41H77N11O9S2 931.5348 NA PeJP NA NA +PJ086783 SSLKRRW C41H69N15O10 931.5352 NA PeJP NA NA +PJ086784 SSTLLLLW C45H73N9O12 931.5379 NA PeJP NA NA +PJ086785 VDKKMRR C38H73N15O10S 931.5386 NA PeJP NA NA +PJ086786 VLLKHHW C46H69N13O8 931.5392 NA PeJP NA NA +PJ086787 APKKFRW C46H69N13O8 931.5393 NA PeJP NA NA +PJ086788 SVLLLKEM C42H77N9O12S 931.5413 NA PeJP NA NA +PJ086789 STTRRRR C35H69N19O11 931.5424 NA PeJP NA NA +PJ086790 ALKKMRW C43H73N13O8S 931.5426 NA PeJP NA NA +PJ086791 GTTLKKER C39H73N13O13 931.5451 NA PeJP NA NA +PJ086792 LLLMMRR C40H77N13O8S2 931.546 NA PeJP NA NA +PJ086793 GPKRRRY C40H69N17O9 931.5465 NA PeJP NA NA +PJ086794 TLKKKEW C44H73N11O11 931.5491 NA PeJP NA NA +PJ086795 GGGPLLKKY C44H73N11O11 931.5492 NA PeJP NA NA +PJ086796 SVKMRRR C37H73N17O9S 931.5498 NA PeJP NA NA +PJ086797 SSLLLLMR C41H77N11O11S 931.5525 NA PeJP NA NA +PJ086798 PLLLKYW C49H73N9O9 931.5532 NA PeJP NA NA +PJ086799 GTTTLKRR C38H73N15O12 931.5564 NA PeJP NA NA +PJ086800 APLLLKMF C46H77N9O9S 931.5565 NA PeJP NA NA +PJ086801 AAFRRRR C39H69N19O8 931.5577 NA PeJP NA NA +PJ086802 SSSSLLLLL C42H77N9O14 931.559 NA PeJP NA NA +PJ086803 ALLLLKMM C43H81N9O9S2 931.5599 NA PeJP NA NA +PJ086804 TTLKKRW C43H73N13O10 931.5604 NA PeJP NA NA +PJ086805 LKKKEMR C40H77N13O10S 931.5638 NA PeJP NA NA +PJ086806 VVLLFRW C48H73N11O8 931.5644 NA PeJP NA NA +PJ086807 VLKKKMW C45H77N11O8S 931.5678 NA PeJP NA NA +PJ086808 SSLLKKKE C41H77N11O13 931.5703 NA PeJP NA NA +PJ086809 PTKKFRR C42H73N15O9 931.5716 NA PeJP NA NA +PJ086810 SPVLLLKY C46H77N9O11 931.5743 NA PeJP NA NA +PJ086811 TLKKMRR C39H77N15O9S 931.575 NA PeJP NA NA +PJ086812 TTLLLLKM C43H81N9O11S 931.5777 NA PeJP NA NA +PJ086813 SSTLLKKR C40H77N13O12 931.5815 NA PeJP NA NA +PJ086814 AVKFRRR C41H73N17O8 931.5828 NA PeJP NA NA +PJ086815 GLKFRRR C41H73N17O8 931.5829 NA PeJP NA NA +PJ086816 AALLLLRY C45H77N11O10 931.5855 NA PeJP NA NA +PJ086817 ATLLKKKM C42H81N11O10S 931.5889 NA PeJP NA NA +PJ086818 LLLLKFW C50H77N9O8 931.5896 NA PeJP NA NA +PJ086819 GSTKKKKR C39H77N15O11 931.5927 NA PeJP NA NA +PJ086820 SKKKKKW C44H77N13O9 931.5968 NA PeJP NA NA +PJ086821 AAKKKKKM C41H81N13O9S 931.6001 NA PeJP NA NA +PJ086822 TTTLLKKK C42H81N11O12 931.6067 NA PeJP NA NA +PJ086823 VVKKFRR C43H77N15O8 931.608 NA PeJP NA NA +PJ086824 GLLLLLKY C47H81N9O10 931.6107 NA PeJP NA NA +PJ086825 ATTKKKKK C41H81N13O11 931.6179 NA PeJP NA NA +PJ086826 GVLLKKKF C46H81N11O9 931.6219 NA PeJP NA NA +PJ086827 LLKKKFR C45H81N13O8 931.6331 NA PeJP NA NA +5420 tryptophan-modified human lactoferricin (LFH W8) TKCFQWQWNMRKVRG 931.97565 MH2+ Inhouse_peptide NA peptide +HMDB01472 Guanosine pentaphosphate adenosine C20H29N10O23P5 932.00952 http://www.hmdb.ca/metabolites/HMDB01472 HMDB NA NA +HMDB01472 Guanosine pentaphosphate adenosine C20H29N10O23P5 932.00952 HMDB01472 PFEM_hmdb_metabocards_official NA NA +HMDB01472 Guanosine pentaphosphate adenosine C20H29N10O23P5 932.009521 NA HMDB2010 NA NA +PJ086828 CCCCCMMH C31H52N10O9S7 932.1964 NA PeJP NA NA +PJ086829 CCCDDDEM C31H48N8O17S4 932.2021 NA PeJP NA NA +PJ086830 GCCCCCNNN C29H48N12O13S5 932.2068 NA PeJP NA NA +MJ098055 Ellagic acid; 3,8-Di-Me ether, 2-O-[?-D-glucuronopyranosyl-(1?4)-?-L-arabinopyranosyl-(1?4)-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] C38H44O27 932.206996 NA MeJP NA NA +PJ086831 CCCCCDHF C34H48N10O11S5 932.2108 NA PeJP NA NA +PJ086832 GSCCCCNDE C30H48N10O16S4 932.2133 NA PeJP NA NA +PJ086833 GPCCCCCNM C31H52N10O11S6 932.2142 NA PeJP NA NA +PJ086834 SCCCCNDW C34H48N10O13S4 932.2286 NA PeJP NA NA +MJ098056 Rubroside H; 2'-O-[5-Deoxy-?-D-arabinofuranosyl-(1?4)-?-D-xylopyranosyl] C41H51Cl3N2O16 932.230416 NA MeJP NA NA +PJ086835 SSSCCCNDD C30H48N10O18S3 932.2311 NA PeJP NA NA +PJ086836 CCCNNDMM C31H52N10O13S5 932.2319 NA PeJP NA NA +PJ086837 PCCCDDDY C35H48N8O16S3 932.2351 NA PeJP NA NA +PJ086838 SCCDDEMM C32H52N8O16S4 932.2385 NA PeJP NA NA +PJ086839 PCCCDMMM C33H56N8O11S6 932.2393 NA PeJP NA NA +PJ086840 CCCCCNER C30H52N12O12S5 932.2432 NA PeJP NA NA +PJ086841 CCCNNDDF C34H48N10O15S3 932.2463 NA PeJP NA NA +PJ086842 GCCCCQMW C35H52N10O10S5 932.2472 NA PeJP NA NA +PJ086843 GSSCCCNEM C31H52N10O15S4 932.2497 NA PeJP NA NA +PJ086844 APCCCCCCK C32H56N10O10S6 932.2506 NA PeJP NA NA +PJ086845 CCCCNNHH C32H48N14O11S4 932.251 NA PeJP NA NA +PJ086846 GCDDDDMY C35H48N8O18S2 932.2528 NA PeJP NA NA +PJ086847 PCCCDDMF C36H52N8O13S4 932.2537 NA PeJP NA NA +PJ086848 GCDDMMMM C33H56N8O13S5 932.2571 NA PeJP NA NA +PJ086849 SCCCDEHH C33H48N12O14S3 932.2576 NA PeJP NA NA +PJ086850 GCCCCCRW C34H52N12O9S5 932.2584 NA PeJP NA NA +FL3FAADS0047 Isovitexin 2''-O-(6'''-(E)-feruloyl)glucoside 4'-O-glucoside C43H48O23 932.25863 372113-57-0 knapsack NA NA +FL5FAAGL0101 Kaempferol 3-neohesperidoside-7-(2''-ferulylglucoside) C43H48O23 932.25863 173268-24-1 knapsack NA NA +FL5FAAGS0126 Kaempferol 3-[2Gal-(6'''-feruloylglucosyl)-robinobioside];3-[[O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-O-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl-(1->2)]-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C43H48O23 932.25863 260388-56-5 knapsack NA NA +MJ098057 Astragalin; 7-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside] C43H48O23 932.258637 NA MeJP NA NA +MJ098058 Hyperin; 2''-O-?-L-Rhamnopyranosyl, 6''-O-[(4-hydroxy-3-methoxy-E-cinnamoyl)-(?2)-?-L-rhamnopyranosyl] C43H48O23 932.258637 NA MeJP NA NA +MJ098059 Hyperin; 2''-O-?-L-Rhamnopyranosyl, 6''-O-[(4-hydroxy-3-methoxy-E-cinnamoyl)-(?3)-?-L-rhamnopyranosyl] C43H48O23 932.258637 NA MeJP NA NA +MJ098060 Populnin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-D-glucopyranoside], 2''-O-(4-hydroxy-3-methoxycinnamoyl) C43H48O23 932.258637 NA MeJP NA NA +MJ098061 Trifolin; 2''-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl], 6''-O-?-L-rhamnopyranosyl C43H48O23 932.258637 NA MeJP NA NA +MJ098062 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?4)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C43H49O23(+) 932.258637 NA MeJP NA NA +MJ098063 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-(4-Hydroxycinnamoylsambubioside), 5-O-?-D-glucopyranoside C43H49O23(+) 932.258637 NA MeJP NA NA +MJ098064 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside]], 5-O-?-D-glucopyranoside C43H49O23(+) 932.258637 NA MeJP NA NA +MJ098065 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-[4-hydroxy-3-methoxycinnamoyl-(?6)]-?-D-glucopyranoside](E-), 5-O-?-D-glucopyranoside C43H49O23(+) 932.258637 NA MeJP NA NA +PJ086851 GSSCCCCDR C30H52N12O14S4 932.2609 NA PeJP NA NA +PJ086852 SDDDDDDH C33H44N10O22 932.2632 NA PeJP NA NA +PJ086853 SCCNNDDY C34H48N10O17S2 932.2641 NA PeJP NA NA +PJ086854 SSCCCNMW C35H52N10O12S4 932.2649 NA PeJP NA NA +PJ086855 GGGAPCCCCY C35H52N10O12S4 932.265 NA PeJP NA NA +PJ086856 SSSSCCNDM C31H52N10O17S3 932.2674 NA PeJP NA NA +PJ086857 CCDDEYW C39H48N8O15S2 932.2681 NA PeJP NA NA +PJ086858 SCCNNMMM C32H56N10O12S5 932.2683 NA PeJP NA NA +PJ086859 SSCDDDEY C35H48N8O20S 932.2706 NA PeJP NA NA +PJ086860 SPCCDDMY C36H52N8O15S3 932.2715 NA PeJP NA NA +PJ086861 CCEMMMW C37H56N8O10S5 932.2723 NA PeJP NA NA +PJ086862 SSCDEMMM C33H56N8O15S4 932.2748 NA PeJP NA NA +PJ086863 SPCCMMMM C34H60N8O10S6 932.2757 NA PeJP NA NA +PJ086864 GCCDMMHH C34H52N12O11S4 932.2762 NA PeJP NA NA +PJ086865 SCCCCQMR C31H56N12O11S5 932.2795 NA PeJP NA NA +PJ086866 GGTCCCCMR C31H56N12O11S5 932.2796 NA PeJP NA NA +MJ098066 1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 1-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C40H52O25 932.279767 NA MeJP NA NA +PJ086867 ACCCCHFF C39H52N10O9S4 932.2802 NA PeJP NA NA +PJ086868 GDDDDEMH C34H48N10O19S 932.2818 NA PeJP NA NA +PJ086869 GSSSTCCCW C35H52N10O14S3 932.2827 NA PeJP NA NA +PJ086870 GCCCCKMW C36H56N10O9S5 932.2836 NA PeJP NA NA +PJ086871 GSSSSSSCCE C31H52N10O19S2 932.2852 NA PeJP NA NA +PJ086872 GCDDDDFF C39H48N8O17S 932.2859 NA PeJP NA NA +PJ086873 GSSSCCQMM C32H56N10O14S4 932.2861 NA PeJP NA NA +PJ086874 CCNNNNDH C32H48N14O15S2 932.2865 NA PeJP NA NA +PJ086875 GGGGCCNNDH C32H48N14O15S2 932.2866 NA PeJP NA NA +PJ086876 CCDEMFW C40H52N8O12S3 932.2867 NA PeJP NA NA +PJ086877 GSDDDMMY C36H52N8O17S2 932.2892 NA PeJP NA NA +PJ086878 GPCCEMMY C37H56N8O12S4 932.2901 NA PeJP NA NA +PJ086879 GCCDDHHF C37H48N12O13S2 932.2906 NA PeJP NA NA +PJ086880 SCCCCCRR C30H56N14O10S5 932.2908 NA PeJP NA NA +PJ086881 SCNNDDEH C33H48N12O18S 932.2931 NA PeJP NA NA +PJ086882 GSDMMMMM C34H60N8O12S5 932.2935 NA PeJP NA NA +PJ086883 GCCCNDRY C34H52N12O13S3 932.2939 NA PeJP NA NA +PJ086884 GGGGPCCDMH C34H52N12O13S3 932.294 NA PeJP NA NA +PJ086885 GCCCHHHH C35H48N16O9S3 932.2953 NA PeJP NA NA +PJ086886 DDDDMHW C38H48N10O16S 932.2971 NA PeJP NA NA +PJ086887 GSSSCCCMR C31H56N12O13S4 932.2973 NA PeJP NA NA +PJ086888 CCNNMYW C39H52N10O11S3 932.2979 NA PeJP NA NA +PJ086889 GGCCNMYW C39H52N10O11S3 932.298 NA PeJP NA NA +PJ086890 SSDDDEEH C34H48N10O21 932.2996 NA PeJP NA NA +PJ086891 SSSSSSCCW C35H52N10O16S2 932.3004 NA PeJP NA NA +PJ086892 GGSSCNDMY C35H52N10O16S2 932.3005 NA PeJP NA NA +PJ086893 STCCCCKW C36H56N10O11S4 932.3013 NA PeJP NA NA +PJ086894 SSSSSSSSCD C31H52N10O21S 932.3029 NA PeJP NA NA +PJ086895 NDDDEYY C39H48N8O19 932.3036 NA PeJP NA NA +PJ086896 SSSSSCNMM C32H56N10O16S3 932.3038 NA PeJP NA NA +PJ086897 SCDEMYW C40H52N8O14S2 932.3045 NA PeJP NA NA +PJ086898 SCCCQKMM C33H60N10O11S5 932.3047 NA PeJP NA NA +PJ086899 PCCMMYW C41H56N8O9S4 932.3053 NA PeJP NA NA +PJ086900 SSSDDEMY C36H52N8O19S 932.307 NA PeJP NA NA +PJ086901 NDEMMMY C37H56N8O14S3 932.3078 NA PeJP NA NA +PJ086902 GGDEMMMY C37H56N8O14S3 932.3079 NA PeJP NA NA +PJ086903 GSCNDDHW C37H48N12O15S 932.3083 NA PeJP NA NA +PJ086904 TCMMMMW C38H60N8O9S5 932.3087 NA PeJP NA NA +PJ086905 GPCCCQHW C38H52N12O10S3 932.3092 NA PeJP NA NA +PJ086906 GSSSNDDDH C33H48N12O20 932.3108 NA PeJP NA NA +PJ086907 SSSEMMMM C34H60N8O14S4 932.3112 NA PeJP NA NA +PJ086908 GNNDDMMH C34H52N12O15S2 932.3117 NA PeJP NA NA +PJ086909 QMMMMMM C35H64N8O9S6 932.3121 NA PeJP NA NA +PJ086910 GCCCNMFR C35H56N12O10S4 932.3126 NA PeJP NA NA +PJ086911 GPNDDDDW C38H48N10O18 932.3149 NA PeJP NA NA +PJ086912 SSSSTCCCR C31H56N12O15S3 932.3151 NA PeJP NA NA +PJ086913 GSSCCQYW C39H52N10O13S2 932.3157 NA PeJP NA NA +PJ086914 SCCCCKMR C32H60N12O10S5 932.3159 NA PeJP NA NA +PJ086915 GSSSSCNEY C35H52N10O18S 932.3182 NA PeJP NA NA +PJ086916 GDDDYYW C43H48N8O16 932.3189 NA PeJP NA NA +PJ086917 CDDMMRY C36H56N10O13S3 932.3191 NA PeJP NA NA +PJ086918 PCCDFYW C44H52N8O11S2 932.3197 NA PeJP NA NA +PJ086919 PPCCCHHH C37H52N14O9S3 932.3204 NA PeJP NA NA +PJ086920 GSSSSSSTCM C32H56N10O18S2 932.3216 NA PeJP NA NA +PJ086921 NNNNNNDD C32H48N14O19 932.322 NA PeJP NA NA +PJ086922 GGNNNNNDD C32H48N14O19 932.3221 NA PeJP NA NA +PJ086923 GSPCDEYY C40H52N8O16S 932.3222 NA PeJP NA NA +PJ086924 ASSTCCCKM C33H60N10O13S4 932.3224 NA PeJP NA NA +PJ086925 GSSSCCKMM C33H60N10O13S4 932.3225 NA PeJP NA NA +PJ086926 GCCNDEHR C33H52N14O14S2 932.3229 NA PeJP NA NA +PJ086927 GGGGGGGGSCMH C33H52N14O14S2 932.323 NA PeJP NA NA +PJ086928 GDMMMYW C41H56N8O11S3 932.3231 NA PeJP NA NA +PJ086929 CMMMMMR C34H64N10O8S6 932.3233 NA PeJP NA NA +PJ086930 APDDEEEE C36H52N8O21 932.3247 NA PeJP NA NA +PJ086931 GPDEEEEE C36H52N8O21 932.3248 NA PeJP NA NA +PJ086932 GSSEEMMY C37H56N8O16S2 932.3256 NA PeJP NA NA +PJ086933 GNNDDDHF C37H48N12O17 932.3261 NA PeJP NA NA +PJ086934 GPTCMMMY C38H60N8O11S4 932.3265 NA PeJP NA NA +PJ086935 CNNEMHW C38H52N12O12S2 932.3269 NA PeJP NA NA +PJ086936 GGCNEMHW C38H52N12O12S2 932.327 NA PeJP NA NA +PJ086937 SSNNDEMH C34H52N12O17S 932.3294 NA PeJP NA NA +PJ086938 GGSSNDEMH C34H52N12O17S 932.3295 NA PeJP NA NA +PJ086939 GTTMMMMM C35H64N8O11S5 932.3298 NA PeJP NA NA +PJ086940 GSCCNMRY C35H56N12O12S3 932.3303 NA PeJP NA NA +PJ086941 GCNNDHHH C35H48N16O13S 932.3308 NA PeJP NA NA +PJ086942 CCNNFFW C43H52N10O10S2 932.331 NA PeJP NA NA +PJ086943 SSSSCNYW C39H52N10O15S 932.3335 NA PeJP NA NA +PJ086944 CCCQKYW C40H56N10O10S3 932.3343 NA PeJP NA NA +PJ086945 GAPPPCCCW C40H56N10O10S3 932.3344 NA PeJP NA NA +PJ086946 SSSSSSNDY C35H52N10O20 932.336 NA PeJP NA NA +PJ086947 SSSNNMMY C36H56N10O15S2 932.3368 NA PeJP NA NA +PJ086948 GAEEEMMH C36H56N10O15S2 932.3369 NA PeJP NA NA +PJ086949 GSDDEHHH C36H48N14O16 932.3373 NA PeJP NA NA +PJ086950 SPCDYYW C44H52N8O13S 932.3375 NA PeJP NA NA +PJ086951 CDMMMFR C37H60N10O10S4 932.3377 NA PeJP NA NA +PJ086952 CCNDHRW C37H52N14O11S2 932.3382 NA PeJP NA NA +PJ086953 PCCMFFW C45H56N8O8S3 932.3384 NA PeJP NA NA +PJ086954 SSSSSSSSSM C32H56N10O20S 932.3393 NA PeJP NA NA +PJ086955 PDEEEEW C40H52N8O18 932.34 NA PeJP NA NA +PJ086956 SSSSTCCKM C33H60N10O15S3 932.3402 NA PeJP NA NA +PJ086957 SSCNDDHR C33H52N14O16S 932.3407 NA PeJP NA NA +PJ086958 SSEMMYW C41H56N8O13S2 932.3409 NA PeJP NA NA +PJ086959 SCCCKKMM C34H64N10O10S5 932.3411 NA PeJP NA NA +PJ086960 SPCCCQHR C34H56N14O11S3 932.3416 NA PeJP NA NA +PJ086961 GMMMMFW C42H60N8O8S4 932.3417 NA PeJP NA NA +PJ086962 GCNMHWW C42H52N12O9S2 932.3422 NA PeJP NA NA +PJ086963 SSSTEEMY C37H56N8O18S 932.3434 NA PeJP NA NA +PJ086964 TQEMMMY C38H60N8O13S3 932.3442 NA PeJP NA NA +PJ086965 GSSNDMHW C38H52N12O14S 932.3447 NA PeJP NA NA +PJ086966 MMYYYY C46H56N6O11S2 932.3449 NA PeJP NA NA +PJ086967 GPCCCKHW C39H56N12O9S3 932.3456 NA PeJP NA NA +PJ086968 SPNDDDDR C34H52N12O19 932.3472 NA PeJP NA NA +PJ086969 STTTMMMM C35H64N8O13S4 932.3476 NA PeJP NA NA +PJ086970 SSSCCQRY C35H56N12O14S2 932.3481 NA PeJP NA NA +PJ086971 KMMMMMM C36H68N8O8S6 932.3485 NA PeJP NA NA +PJ086972 GCNQYYW C43H52N10O12S 932.3487 NA PeJP NA NA +PJ086973 ACCCCKFR C36H60N12O9S4 932.349 NA PeJP NA NA +PJ086974 GSPNDEEW C39H52N10O17 932.3512 NA PeJP NA NA +PJ086975 GGGGPPDDDF C39H52N10O17 932.3513 NA PeJP NA NA +PJ086976 GSSCCKYW C40H56N10O12S2 932.3521 NA PeJP NA NA +PJ086977 SDDHHHW C40H48N14O13 932.3526 NA PeJP NA NA +PJ086978 CEFYWW C48H52N8O10S 932.3527 NA PeJP NA NA +PJ086979 GSSSSSQMY C36H56N10O17S 932.3546 NA PeJP NA NA +PJ086980 GSEEYYW C44H52N8O15 932.3552 NA PeJP NA NA +PJ086981 GGPDDFYY C44H52N8O15 932.3553 NA PeJP NA NA +PJ086982 SDMMMRY C37H60N10O12S3 932.3555 NA PeJP NA NA +PJ086983 GCNNNQHF C37H52N14O13S 932.3559 NA PeJP NA NA +PJ086984 GGGGGCNQHF C37H52N14O13S 932.356 NA PeJP NA NA +PJ086985 APCMYYW C45H56N8O10S2 932.3561 NA PeJP NA NA +PJ086986 CCMHHFR C38H56N14O8S3 932.3568 NA PeJP NA NA +PJ086987 GNNNDDER C33H52N14O18 932.3584 NA PeJP NA NA +PJ086988 GGGNNDDER C33H52N14O18 932.3585 NA PeJP NA NA +PJ086989 AQEEMYY C41H56N8O15S 932.3586 NA PeJP NA NA +PJ086990 DFYYYY C49H52N6O13 932.3593 NA PeJP NA NA +PJ086991 ATMMMYW C42H60N8O10S3 932.3595 NA PeJP NA NA +PJ086992 SSCQHWW C42H52N12O11S 932.36 NA PeJP NA NA +PJ086993 APTEEEEE C37H56N8O20 932.3611 NA PeJP NA NA +PJ086994 GTTTEMMY C38H60N8O15S2 932.362 NA PeJP NA NA +PJ086995 NNNQEEW C38H52N12O16 932.3624 NA PeJP NA NA +PJ086996 SSSSNEHW C38H52N12O16 932.3625 NA PeJP NA NA +PJ086997 VQMMMMY C39H64N8O10S4 932.3629 NA PeJP NA NA +PJ086998 GPPCCDRW C39H56N12O11S2 932.3633 NA PeJP NA NA +PJ086999 GGGGAPCMHF C39H56N12O11S2 932.3634 NA PeJP NA NA +PJ087000 GSSSSSCRY C35H56N12O16S 932.3658 NA PeJP NA NA +PJ087001 GGGPDDEMR C35H56N12O16S 932.3659 NA PeJP NA NA +PJ087002 SPNDEWW C43H52N10O14 932.3665 NA PeJP NA NA +PJ087003 GTCCCKRY C36H60N12O11S3 932.3667 NA PeJP NA NA +PJ087004 CDEHHHR C36H52N16O12S 932.3672 NA PeJP NA NA +PJ087005 PPCNMWW C44H56N10O9S2 932.3674 NA PeJP NA NA +PJ087006 SSPPCQEW C40H56N10O14S 932.3698 NA PeJP NA NA +PJ087007 TTEEMHW C40H56N10O14S 932.3699 NA PeJP NA NA +PJ087008 SEYYWW C48H52N8O12 932.3705 NA PeJP NA NA +PJ087009 GSCCDHRR C33H56N16O12S2 932.3706 NA PeJP NA NA +PJ087010 CCCKKYW C41H60N10O9S3 932.3707 NA PeJP NA NA +PJ087011 GEMHHHW C41H52N14O10S 932.3712 NA PeJP NA NA +PJ087012 SSSSSSTQY C36H56N10O19 932.3723 NA PeJP NA NA +PJ087013 STTTEEEH C36H56N10O19 932.3724 NA PeJP NA NA +PJ087014 SSSCQKMY C37H60N10O14S2 932.3732 NA PeJP NA NA +PJ087015 NNNDDRW C37H52N14O15 932.3737 NA PeJP NA NA +PJ087016 AAEMYYW C45H56N8O12S 932.3739 NA PeJP NA NA +PJ087017 AMMMMRY C38H64N10O9S4 932.3741 NA PeJP NA NA +PJ087018 SCNMHRW C38H56N14O10S2 932.3746 NA PeJP NA NA +PJ087019 NDHHHHH C38H48N18O11 932.375 NA PeJP NA NA +PJ087020 GGDHHHHH C38H48N18O11 932.3751 NA PeJP NA NA +PJ087021 GCHHFFW C46H52N12O8S 932.3752 NA PeJP NA NA +PJ087022 SDKEEYY C41H56N8O17 932.3764 NA PeJP NA NA +PJ087023 GPCDDDRR C34H56N14O15S 932.3771 NA PeJP NA NA +PJ087024 TTTMMYW C42H60N8O12S2 932.3772 NA PeJP NA NA +PJ087025 GGVEMMFY C42H60N8O12S2 932.3773 NA PeJP NA NA +PJ087026 GSSSSHWW C42H52N12O13 932.3777 NA PeJP NA NA +PJ087027 MFFYYY C50H56N6O10S 932.3779 NA PeJP NA NA +PJ087028 GGGGMMMHR C35H60N14O10S3 932.378 NA PeJP NA NA +PJ087029 ACCKHWW C43H56N12O8S2 932.3786 NA PeJP NA NA +PJ087030 STTTTEMY C38H60N8O17S 932.3797 NA PeJP NA NA +PJ087031 GPLEEEEM C38H60N8O17S 932.3798 NA PeJP NA NA +PJ087032 TKEMMMY C39H64N8O12S3 932.3806 NA PeJP NA NA +PJ087033 PNDDMRW C39H56N12O13S 932.3811 NA PeJP NA NA +PJ087034 GSPDWWW C47H52N10O11 932.3817 NA PeJP NA NA +PJ087035 CKMMHHF C40H60N12O8S3 932.382 NA PeJP NA NA +PJ087036 NQEEEER C35H56N12O18 932.3836 NA PeJP NA NA +PJ087037 SSSCCKRY C36H60N12O13S2 932.3844 NA PeJP NA NA +PJ087038 TEEMMHR C36H60N12O13S2 932.3845 NA PeJP NA NA +PJ087039 SSSNQHHH C36H52N16O14 932.3849 NA PeJP NA NA +PJ087040 GGGGGGSPNHH C36H52N16O14 932.385 NA PeJP NA NA +PJ087041 GPQEMWW C44H56N10O11S 932.3851 NA PeJP NA NA +PJ087042 PMMMMHR C37H64N12O8S4 932.3853 NA PeJP NA NA +PJ087043 MHHHWW C45H52N14O7S 932.3865 NA PeJP NA NA +PJ087044 VNQEEEW C40H56N10O16 932.3876 NA PeJP NA NA +PJ087045 GNNNNNMR C33H56N16O14S 932.3883 NA PeJP NA NA +PJ087046 SLEMMHW C41H60N10O11S2 932.3885 NA PeJP NA NA +PJ087047 STEHHHW C41H52N14O12 932.389 NA PeJP NA NA +PJ087048 CLYYWW C49H56N8O9S 932.3891 NA PeJP NA NA +PJ087049 CCQMHRR C34H60N16O9S3 932.3892 NA PeJP NA NA +MJ098067 Cephabacin M; Cephabacin M3 C37H60N10O16S 932.390946 NA MeJP NA NA +PJ087050 GSSSSSKMY C37H60N10O16S 932.391 NA PeJP NA NA +PJ087051 ATTEYYW C45H56N8O14 932.3916 NA PeJP NA NA +PJ087052 TTMMMRY C38H64N10O11S3 932.3918 NA PeJP NA NA +PJ087053 GTCCKKMY C38H64N10O11S3 932.3919 NA PeJP NA NA +PJ087054 GSSTCHRW C38H56N14O12S 932.3923 NA PeJP NA NA +PJ087055 GGGGGGGCKHF C38H56N14O12S 932.3924 NA PeJP NA NA +PJ087056 GVMMFYW C46H60N8O9S2 932.3925 NA PeJP NA NA +PJ087057 NNQWWW C46H52N12O10 932.393 NA PeJP NA NA +PJ087058 NDDEERR C34H56N14O17 932.3948 NA PeJP NA NA +PJ087059 GGGGGGASEER C34H56N14O17 932.3949 NA PeJP NA NA +PJ087060 PLEEEMW C42H60N8O14S 932.395 NA PeJP NA NA +PJ087061 VYYYYY C50H56N6O12 932.3956 NA PeJP NA NA +PJ087062 SPPCCDRR C35H60N14O12S2 932.3957 NA PeJP NA NA +PJ087063 VQMMMFF C43H64N8O9S3 932.3959 NA PeJP NA NA +PJ087064 APCDRWW C43H56N12O10S 932.3963 NA PeJP NA NA +PJ087065 GPCERWW C43H56N12O10S 932.3964 NA PeJP NA NA +PJ087066 GVLEEEEE C38H60N8O19 932.3975 NA PeJP NA NA +PJ087067 SSTTLMMY C39H64N8O14S2 932.3984 NA PeJP NA NA +PJ087068 VNDDERW C39H56N12O15 932.3988 NA PeJP NA NA +PJ087069 GQEEERW C39H56N12O15 932.3989 NA PeJP NA NA +PJ087070 VKMMMMY C40H68N8O9S4 932.3992 NA PeJP NA NA +PJ087071 PPPVMMMM C40H68N8O9S4 932.3993 NA PeJP NA NA +PJ087072 GSPPCMRW C40H60N12O10S2 932.3997 NA PeJP NA NA +PJ087073 NNQHHHF C40H52N16O11 932.4002 NA PeJP NA NA +PJ087074 PQMWWW C48H56N10O8S 932.4004 NA PeJP NA NA +PJ087075 GSPQEEMR C36H60N12O15S 932.4022 NA PeJP NA NA +PJ087076 GGGGGGGAALEM C36H60N12O15S 932.4023 NA PeJP NA NA +PJ087077 GVQEEWW C44H56N10O13 932.4029 NA PeJP NA NA +PJ087078 VEMMMHR C37H64N12O10S3 932.4031 NA PeJP NA NA +PJ087079 SEMHHHR C37H56N16O11S 932.4036 NA PeJP NA NA +PJ087080 MMFRYW C45H60N10O8S2 932.4037 NA PeJP NA NA +PJ087081 GPNHHWW C45H52N14O9 932.4042 NA PeJP NA NA +PJ087082 SSNNNNQR C33H56N16O16 932.406 NA PeJP NA NA +PJ087083 GSNNDDRR C33H56N16O16 932.4061 NA PeJP NA NA +PJ087084 PNKEEMW C41H60N10O13S 932.4062 NA PeJP NA NA +PJ087085 GGPKEEMW C41H60N10O13S 932.4063 NA PeJP NA NA +PJ087086 AAPYYYW C49H56N8O11 932.4069 NA PeJP NA NA +PJ087087 GGGGAPCCRR C34H60N16O11S2 932.407 NA PeJP NA NA +PJ087088 VVMMMHW C42H64N10O8S3 932.4071 NA PeJP NA NA +PJ087089 GCQHFRW C42H56N14O9S 932.4076 NA PeJP NA NA +PJ087090 SSSSSSTKY C37H60N10O18 932.4087 NA PeJP NA NA +PJ087091 AAQKEEEE C37H60N10O18 932.4088 NA PeJP NA NA +PJ087092 SSSCKKMY C38H64N10O13S2 932.4096 NA PeJP NA NA +PJ087093 GDDERRW C38H56N14O14 932.4101 NA PeJP NA NA +PJ087094 ASLMYYW C46H60N8O11S 932.4102 NA PeJP NA NA +PJ087095 GTLMYYW C46H60N8O11S 932.4103 NA PeJP NA NA +PJ087096 FFFFYY C54H56N6O9 932.4109 NA PeJP NA NA +PJ087097 TCCKHRW C39H60N14O9S2 932.411 NA PeJP NA NA +PJ087098 TQHHHHH C39H52N18O10 932.4114 NA PeJP NA NA +PJ087099 PCRWWW C47H56N12O7S 932.4116 NA PeJP NA NA +PJ087100 SPTTTTYY C42H60N8O16 932.4127 NA PeJP NA NA +PJ087101 VLEEEEW C42H60N8O16 932.4128 NA PeJP NA NA +PJ087102 SSSTQMHR C35H60N14O14S 932.4134 NA PeJP NA NA +PJ087103 GSPDDMRR C35H60N14O14S 932.4135 NA PeJP NA NA +PJ087104 PTKMMYY C43H64N8O11S2 932.4136 NA PeJP NA NA +PJ087105 QEERWW C43H56N12O12 932.4141 NA PeJP NA NA +PJ087106 APPCCMRR C36H64N14O9S3 932.4143 NA PeJP NA NA +PJ087107 SPVLEEEM C39H64N8O16S 932.4161 NA PeJP NA NA +PJ087108 PPVVEMMM C40H68N8O11S3 932.417 NA PeJP NA NA +PJ087109 SPQEMRW C40H60N12O12S 932.4175 NA PeJP NA NA +PJ087110 VQEWWW C48H56N10O10 932.4181 NA PeJP NA NA +PJ087111 PCHHHFR C41H56N16O8S 932.4188 NA PeJP NA NA +PJ087112 NKEEEER C36H60N12O17 932.42 NA PeJP NA NA +PJ087113 SSPPQMMR C37H64N12O12S2 932.4208 NA PeJP NA NA +PJ087114 AAPQEMMR C37H64N12O12S2 932.4209 NA PeJP NA NA +PJ087115 GSPNEHHR C37H56N16O13 932.4213 NA PeJP NA NA +PJ087116 GGGGGGGGALHH C37H56N16O13 932.4214 NA PeJP NA NA +PJ087117 GPKEMWW C45H60N10O10S 932.4215 NA PeJP NA NA +PJ087118 TFFFWW C53H56N8O8 932.4221 NA PeJP NA NA +PJ087119 CLMHHHR C38H60N16O8S2 932.4222 NA PeJP NA NA +PJ087120 VNKEEEW C41H60N10O15 932.424 NA PeJP NA NA +PJ087121 SSSTCHRR C34H60N16O13S 932.4247 NA PeJP NA NA +PJ087122 GSPPKMMW C42H64N10O10S2 932.4249 NA PeJP NA NA +PJ087123 DDRRWW C42H56N14O11 932.4253 NA PeJP NA NA +PJ087124 GGGGGTRWW C42H56N14O11 932.4254 NA PeJP NA NA +PJ087125 GVMFFFW C50H60N8O8S 932.4255 NA PeJP NA NA +PJ087126 CCKMHRR C35H64N16O8S3 932.4256 NA PeJP NA NA +PJ087127 TTTTLEMH C38H64N10O15S 932.4274 NA PeJP NA NA +PJ087128 STTLYYW C46H60N8O13 932.428 NA PeJP NA NA +PJ087129 GTLLMMMH C39H68N10O10S3 932.4282 NA PeJP NA NA +PJ087130 GAAPPKMMM C39H68N10O10S3 932.4283 NA PeJP NA NA +PJ087131 SPCERRW C39H60N14O11S 932.4287 NA PeJP NA NA +PJ087132 AERWWW C47H56N12O9 932.4294 NA PeJP NA NA +PJ087133 SQEEERR C35H60N14O16 932.4312 NA PeJP NA NA +PJ087134 SLKEMYY C43H64N8O13S 932.4314 NA PeJP NA NA +PJ087135 PNEMMRR C36H64N14O11S2 932.4321 NA PeJP NA NA +PJ087136 VKMMMFF C44H68N8O8S3 932.4323 NA PeJP NA NA +PJ087137 NNQQHHR C36H56N18O12 932.4325 NA PeJP NA NA +PJ087138 GGNQQHHR C36H56N18O12 932.4326 NA PeJP NA NA +PJ087139 GPTMRWW C44H60N12O9S 932.4327 NA PeJP NA NA +PJ087140 GLWWWW C52H56N10O7 932.4334 NA PeJP NA NA +PJ087141 ATLLEEEE C39H64N8O18 932.4339 NA PeJP NA NA +PJ087142 APLLEEMM C40H68N8O13S2 932.4348 NA PeJP NA NA +PJ087143 GKEEERW C40H60N12O14 932.4352 NA PeJP NA NA +PJ087144 GGGGGSVKEW C40H60N12O14 932.4353 NA PeJP NA NA +PJ087145 CNNDRRR C33H60N18O12S 932.4359 NA PeJP NA NA +PJ087146 PVNMMRW C41H64N12O9S2 932.4361 NA PeJP NA NA +PJ087147 SPNHHRW C41H56N16O10 932.4366 NA PeJP NA NA +PJ087148 PKMWWW C49H60N10O7S 932.4368 NA PeJP NA NA +PJ087149 GSPKEEMR C37H64N12O14S 932.4386 NA PeJP NA NA +PJ087150 SPTKEWW C45H60N10O12 932.4392 NA PeJP NA NA +PJ087151 GVKEEWW C45H60N10O12 932.4393 NA PeJP NA NA +PJ087152 APPCKMMR C38H68N12O9S3 932.4395 NA PeJP NA NA +PJ087153 GNNMRRW C38H60N16O10S 932.4399 NA PeJP NA NA +PJ087154 GGGNMRRW C38H60N16O10S 932.44 NA PeJP NA NA +PJ087155 GLHHHFW C46H56N14O8 932.4406 NA PeJP NA NA +PJ087156 GSSNQERR C34H60N16O15 932.4424 NA PeJP NA NA +PJ087157 SDDERRR C34H60N16O15 932.4425 NA PeJP NA NA +PJ087158 PDKKEMW C42H64N10O12S 932.4426 NA PeJP NA NA +PJ087159 AALFYYW C50H60N8O10 932.4433 NA PeJP NA NA +PJ087160 GCKHFRW C43H60N14O8S 932.444 NA PeJP NA NA +PJ087161 AAKKEEEE C38H64N10O17 932.4451 NA PeJP NA NA +PJ087162 STTLLMMH C39H68N10O12S2 932.446 NA PeJP NA NA +PJ087163 GTEERRW C39H60N14O13 932.4465 NA PeJP NA NA +PJ087164 PCLKFYY C47H64N8O10S 932.4466 NA PeJP NA NA +PJ087165 GGVLMFFY C47H64N8O10S 932.4467 NA PeJP NA NA +PJ087166 GPMMRRW C40H64N14O8S2 932.4473 NA PeJP NA NA +PJ087167 TKHHHHH C40H56N18O9 932.4478 NA PeJP NA NA +PJ087168 SSSTLLYY C43H64N8O15 932.4491 NA PeJP NA NA +PJ087169 SPPVLEEY C43H64N8O15 932.4492 NA PeJP NA NA +PJ087170 VNEEMRR C36H64N14O13S 932.4498 NA PeJP NA NA +PJ087171 GGVEEMRR C36H64N14O13S 932.4499 NA PeJP NA NA +PJ087172 VVKMMYY C44H68N8O10S2 932.45 NA PeJP NA NA +PJ087173 KEERWW C44H60N12O11 932.4505 NA PeJP NA NA +PJ087174 CKKMMHR C37H68N14O8S3 932.4507 NA PeJP NA NA +PJ087175 PCQHHRR C37H60N18O9S 932.4512 NA PeJP NA NA +PJ087176 GLLLEEEM C40H68N8O15S 932.4525 NA PeJP NA NA +PJ087177 PPTLLMMM C41H72N8O10S3 932.4534 NA PeJP NA NA +PJ087178 VNQQKMW C41H64N12O11S 932.4538 NA PeJP NA NA +PJ087179 SPKEMRW C41H64N12O11S 932.4539 NA PeJP NA NA +PJ087180 VKEWWW C49H60N10O9 932.4545 NA PeJP NA NA +PJ087181 SSSPPTTTR C37H64N12O16 932.4563 NA PeJP NA NA +PJ087182 DKKEEER C37H64N12O16 932.4564 NA PeJP NA NA +PJ087183 AAPKEMMR C38H68N12O11S2 932.4572 NA PeJP NA NA +PJ087184 GGGGAPKKMM C38H68N12O11S2 932.4573 NA PeJP NA NA +PJ087185 SSNQRRW C38H60N16O12 932.4577 NA PeJP NA NA +PJ087186 SPVKMWW C46H64N10O9S 932.4579 NA PeJP NA NA +PJ087187 VDKKEEW C42H64N10O14 932.4604 NA PeJP NA NA +PJ087188 GEEMRRR C35H64N16O12S 932.4611 NA PeJP NA NA +PJ087189 PLQKMMW C43H68N10O9S2 932.4613 NA PeJP NA NA +MJ098068 2,3-Dihydroxyspirostan-12-one, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C45H72O20 932.461694 NA MeJP NA NA +MJ098069 Furost-25(27)-ene-3,12,22,26-tetrol, 12-Ketone, 3-O-[?-D-galactopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H72O20 932.461694 NA MeJP NA NA +MJ098070 Spirost-5-ene-3,15,23-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C45H72O20 932.461694 NA MeJP NA NA +C17921 Scopoloside I C45H72O20 932.4617 NA KEGG NA NA +PJ087190 TERRWW C43H60N14O10 932.4617 NA PeJP NA NA +PJ087191 SPTLQKEM C39H68N10O14S 932.4637 NA PeJP NA NA +PJ087192 APTKKEEM C39H68N10O14S 932.4638 NA PeJP NA NA +PJ087193 PLLEEFW C47H64N8O12 932.4644 NA PeJP NA NA +PJ087194 APPKKMMM C40H72N10O9S3 932.4646 NA PeJP NA NA +PJ087195 GVEMRRW C40H64N14O10S 932.4651 NA PeJP NA NA +PJ087196 SLRWWW C48H60N12O8 932.4657 NA PeJP NA NA +PJ087197 PPLHHFW C48H60N12O8 932.4658 NA PeJP NA NA +PJ087198 SKEEERR C36H64N14O15 932.4676 NA PeJP NA NA +PJ087199 LLLEEMW C44H68N8O12S 932.4678 NA PeJP NA NA +PJ087200 PDKMMRR C37H68N14O10S2 932.4685 NA PeJP NA NA +PJ087201 AQEHHRR C37H60N18O11 932.4689 NA PeJP NA NA +PJ087202 GAAEHHRR C37H60N18O11 932.469 NA PeJP NA NA +PJ087203 AALMRWW C45H64N12O8S 932.4691 NA PeJP NA NA +PJ087204 STLLLEEE C40H68N8O17 932.4703 NA PeJP NA NA +PJ087205 SPLLLEMM C41H72N8O12S2 932.4712 NA PeJP NA NA +PJ087206 SVKEERW C41H64N12O13 932.4716 NA PeJP NA NA +PJ087207 GGGGGGGAALLF C41H64N12O13 932.4717 NA PeJP NA NA +PJ087208 SNNMRRR C34H64N18O11S 932.4723 NA PeJP NA NA +PJ087209 PCLKMRW C42H68N12O8S2 932.4725 NA PeJP NA NA +PJ087210 GLQHHRW C42H60N16O9 932.473 NA PeJP NA NA +PJ087211 LQKEEMR C38H68N12O13S 932.475 NA PeJP NA NA +PJ087212 ATLKEWW C46H64N10O11 932.4756 NA PeJP NA NA +PJ087213 GGGAPLLYW C46H64N10O11 932.4757 NA PeJP NA NA +PJ087214 KKKMMMH C39H72N12O8S3 932.4759 NA PeJP NA NA +PJ087215 EMRRRW C39H64N16O9S 932.4763 NA PeJP NA NA +MJ098071 3,8,11,12,14,17-Hexahydroxypregn-5-en-20-one, 11-O-Benzoyl, 3-O-[?-L-diginopyranosyl-(1?4)-O-?-L-diginopyranosyl-(1?4)-O-?-L-diginopyranoside] C49H72O17 932.47695 NA MeJP NA NA +MJ098072 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(4-Hydroxybenzoyl), 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H72O17 932.47695 NA MeJP NA NA +MJ098073 Bryostatin 12 C49H72O17 932.47695 NA MeJP NA NA +PJ087216 STEERRR C35H64N16O14 932.4788 NA PeJP NA NA +PJ087217 VLQKEMW C43H68N10O11S 932.479 NA PeJP NA NA +PJ087218 SPMMRRR C36H68N16O9S2 932.4797 NA PeJP NA NA +PJ087219 GDHHRRR C36H60N20O10 932.4802 NA PeJP NA NA +PJ087220 VMRRWW C44H64N14O7S 932.4804 NA PeJP NA NA +PJ087221 GTLKKEEE C39H68N10O16 932.4815 NA PeJP NA NA +PJ087222 GPLKKEMM C40H72N10O11S2 932.4824 NA PeJP NA NA +PJ087223 SSLERRW C40H64N14O12 932.4828 NA PeJP NA NA +PJ087224 GGSDKKRW C40H64N14O12 932.4829 NA PeJP NA NA +PJ087225 VVKMFFY C48H68N8O9S 932.483 NA PeJP NA NA +PJ087226 AAHHRRW C41H60N18O8 932.4842 NA PeJP NA NA +PJ087227 GPLLLEEY C44H68N8O14 932.4855 NA PeJP NA NA +2807 PEP inhibitor MPPPLPARVDFSLAGALN 932.4856 MH2+ Inhouse_peptide NA peptide +PJ087228 VDKEMRR C37H68N14O12S 932.4862 NA PeJP NA NA +PJ087229 GGGGGGGKKKM C37H68N14O12S 932.4863 NA PeJP NA NA +PJ087230 PPVVLMMF C45H72N8O9S2 932.4864 NA PeJP NA NA +PJ087231 ATTLRWW C45H64N12O10 932.4869 NA PeJP NA NA +PJ087232 PCKHHRR C38H64N18O8S 932.4876 NA PeJP NA NA +PJ087233 SVLLLEEM C41H72N8O14S 932.4889 NA PeJP NA NA +PJ087234 PVVLLMMM C42H76N8O9S3 932.4898 NA PeJP NA NA +PJ087235 GSSSQRRR C34H64N18O13 932.4901 NA PeJP NA NA +PJ087236 ALKEMRW C42H68N12O10S 932.4902 NA PeJP NA NA +PJ087237 GGTLLMRW C42H68N12O10S 932.4903 NA PeJP NA NA +PJ087238 GPLKFWW C50H64N10O8 932.4909 NA PeJP NA NA +PJ087239 SSVVKEER C38H68N12O15 932.4927 NA PeJP NA NA +PJ087240 GTTLKEER C38H68N12O15 932.4928 NA PeJP NA NA +PJ087241 GPTLKMMR C39H72N12O10S2 932.4936 NA PeJP NA NA +PJ087242 SSNKRRW C39H64N16O11 932.4941 NA PeJP NA NA +PJ087243 GLLKMWW C47H68N10O8S 932.4943 NA PeJP NA NA +PJ087244 TLKKEEW C43H68N10O13 932.4968 NA PeJP NA NA +PJ087245 SQQKMRR C36H68N16O11S 932.4974 NA PeJP NA NA +PJ087246 SVEMRRR C36H68N16O11S 932.4975 NA PeJP NA NA +PJ087247 PLKKMMW C44H72N10O8S2 932.4976 NA PeJP NA NA +MJ098074 Furost-25(27)-ene-1,3,4,22,26-pentol, 22-Me ether, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-fucopyranoside], 26-O-?-D-glucopyranoside C46H76O19 932.49808 NA MeJP NA NA +MJ098075 Furost-5-ene-1,3,22,26-tetrol, 22-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?2)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside C46H76O19 932.49808 NA MeJP NA NA +PJ087248 GPVRRYW C44H64N14O9 932.4981 NA PeJP NA NA +PJ087249 SPTLKKEM C40H72N10O13S 932.5001 NA PeJP NA NA +PJ087250 GVLKKEEM C40H72N10O13S 932.5002 NA PeJP NA NA +MJ098076 Kahalalide O C48H68N8O11 932.500755 NA MeJP NA NA +PJ087251 PLLLEYW C48H68N8O11 932.5008 NA PeJP NA NA +PJ087252 ATLMRRW C41H68N14O9S 932.5015 NA PeJP NA NA +PJ087253 GTTTLERR C37H68N14O14 932.504 NA PeJP NA NA +PJ087254 SPPLLLMY C45H72N8O11S 932.5042 NA PeJP NA NA +PJ087255 VLQMMRR C38H72N14O9S2 932.5048 NA PeJP NA NA +PJ087256 LLNMMRR C38H72N14O9S2 932.5049 NA PeJP NA NA +PJ087257 GNQFRRR C38H64N18O10 932.5053 NA PeJP NA NA +PJ087258 ALLLLEMM C42H76N8O11S2 932.5075 NA PeJP NA NA +PJ087259 TTLKERW C42H68N12O12 932.508 NA PeJP NA NA +PJ087260 SCQKRRR C35H68N18O10S 932.5087 NA PeJP NA NA +PJ087261 PRRRYW C43H64N16O8 932.5093 NA PeJP NA NA +PJ087262 GLKHHRW C43H64N16O8 932.5094 NA PeJP NA NA +PJ087263 LKKEEMR C39H72N12O12S 932.5114 NA PeJP NA NA +PJ087264 STLLKWW C47H68N10O10 932.512 NA PeJP NA NA +PJ087265 GCKKRRW C40H68N16O8S 932.5127 NA PeJP NA NA +CJneg0657 Androsterone glucuronide [(2M-H)]- C50H75O16 932.513925 C18rt(min)=8.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0657 Androsterone glucuronide [(2M-H)]- C50H75O16 932.513925 C18rt(min)=8.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +PJ087266 GSSDKKRR C36H68N16O13 932.5152 NA PeJP NA NA +PJ087267 VLKKEMW C44H72N10O10S 932.5154 NA PeJP NA NA +PJ087268 ALMMRRR C37H72N16O8S2 932.5161 NA PeJP NA NA +PJ087269 ATHHRRR C37H64N20O9 932.5166 NA PeJP NA NA +PJ087270 SSLLKKEE C40H72N10O15 932.5179 NA PeJP NA NA +PJ087271 SPVLKKMM C41H76N10O10S2 932.5188 NA PeJP NA NA +PJ087272 TTTLRRW C41H68N14O11 932.5192 NA PeJP NA NA +PJ087273 GGGAPKKRY C41H68N14O11 932.5193 NA PeJP NA NA +PJ087274 SPVLLLEY C45H72N8O13 932.5219 NA PeJP NA NA +PJ087275 TLKEMRR C38H72N14O11S 932.5226 NA PeJP NA NA +PJ087276 GTKKKWW C46H68N12O9 932.5233 NA PeJP NA NA +PJ087277 TTLLLLEM C42H76N8O13S 932.5253 NA PeJP NA NA +PJ087278 GSSSKRRR C35H68N18O12 932.5265 NA PeJP NA NA +PJ087279 SLLKMRW C43H72N12O9S 932.5266 NA PeJP NA NA +PJ087280 SSTLLKER C39H72N12O14 932.5291 NA PeJP NA NA +PJ087281 AALLKMMR C40H76N12O9S2 932.53 NA PeJP NA NA +PJ087282 SPVRRRY C40H68N16O10 932.5305 NA PeJP NA NA +PJ087283 ATTTLLKW C44H72N10O12 932.5331 NA PeJP NA NA +PJ087284 SSSLLLKW C44H72N10O12 932.5332 NA PeJP NA NA +PJ087285 TTLMRRR C37H72N16O10S 932.5338 NA PeJP NA NA +PJ087286 GGTKKMRR C37H72N16O10S 932.5339 NA PeJP NA NA +MJ098077 Cycloartane-3,6,16,24,25-pentol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside], 24-O-?-D-glucopyranoside C47H80O18 932.534465 NA MeJP NA NA +MJ098078 Dammar-24-ene-2,3,12,20-tetrol, 3-O-?-D-Glycopyranoside, 20-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C47H80O18 932.534465 NA MeJP NA NA +MJ098079 Dammar-24-ene-3,6,12,20-tetrol, 6-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C47H80O18 932.534465 NA MeJP NA NA +C08939 Cyclofoetoside B C47H80O18 932.5345 NA KEGG NA NA +C08961 Notoginsenoside R1 C47H80O18 932.5345 NA KEGG NA NA +PJ087287 GVLFRRW C45H68N14O8 932.5345 NA PeJP NA NA +PJ087288 ATLLKKEM C41H76N10O12S 932.5365 NA PeJP NA NA +PJ087289 LLLLEFW C49H72N8O10 932.5372 NA PeJP NA NA +PJ087290 GKKKMRW C42H72N14O8S 932.5379 NA PeJP NA NA +PJ087291 SSTTLLRR C38H72N14O13 932.5404 NA PeJP NA NA +PJ087292 APLLLLMY C46H76N8O10S 932.5406 NA PeJP NA NA +PJ087293 VLKMMRR C39H76N14O8S2 932.5412 NA PeJP NA NA +PJ087294 GNKFRRR C39H68N18O9 932.5417 NA PeJP NA NA +PJ087295 SLLLLLMM C43H80N8O10S2 932.5439 NA PeJP NA NA +PJ087296 SKKKKEW C43H72N12O11 932.5444 NA PeJP NA NA +PJ087297 SCKKRRR C36H72N18O9S 932.5451 NA PeJP NA NA +PJ087298 LFRRRW C44H68N16O7 932.5457 NA PeJP NA NA +PJ087299 ATTLLKMR C40H76N12O11S 932.5478 NA PeJP NA NA +PJ087300 PVLKKYW C48H72N10O9 932.5484 NA PeJP NA NA +MJ098080 Avermectin B1d; 22,23-Dihydro, 23S-hydroxy, O5-Me C51H80O15 932.549721 NA MeJP NA NA +PJ087301 GSTTKKRR C37H72N16O12 932.5516 NA PeJP NA NA +PJ087302 GPLLKKMF C45H76N10O9S 932.5518 NA PeJP NA NA +PJ087303 TTTLLKKE C41H76N10O14 932.5543 NA PeJP NA NA +PJ087304 GLLLKKMM C42H80N10O9S2 932.5552 NA PeJP NA NA +PJ087305 STKKKRW C42H72N14O10 932.5556 NA PeJP NA NA +PJ087306 GLLLLLEY C46H76N8O12 932.5583 NA PeJP NA NA +PJ087307 DKKKKMR C39H76N14O10S 932.559 NA PeJP NA NA +PJ087308 ALLKFRW C47H72N12O8 932.5596 NA PeJP NA NA +PJ087309 VVVKFRW C47H72N12O8 932.5597 NA PeJP NA NA +PJ087310 CLKKKKW C44H76N12O8S 932.563 NA PeJP NA NA +PJ087311 TTTTLLKR C40H76N12O13 932.5655 NA PeJP NA NA +PJ087312 GLLRRRY C41H72N16O9 932.5669 NA PeJP NA NA +PJ087313 APTLLKKY C45H76N10O11 932.5695 NA PeJP NA NA +PJ087314 GGGLLLLKY C45H76N10O11 932.5696 NA PeJP NA NA +PJ087315 SKKKMRR C38H76N16O9S 932.5702 NA PeJP NA NA +MJ098081 Dammarane-3,20,24,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] C48H84O17 932.570851 NA MeJP NA NA +PJ087316 STLLLKKM C42H80N10O11S 932.5729 NA PeJP NA NA +PJ087317 LLLLLYW C50H76N8O9 932.5736 NA PeJP NA NA +PJ087318 ATTTKKKR C39H76N14O12 932.5767 NA PeJP NA NA +PJ087319 SSSLKKKR C39H76N14O12 932.5768 NA PeJP NA NA +PJ087320 ALLLLLMF C47H80N8O9S 932.5769 NA PeJP NA NA +PJ087321 PVLHRRR C40H72N18O8 932.5781 NA PeJP NA NA +PJ087322 LLLQKRY C44H76N12O10 932.5808 NA PeJP NA NA +MJ098082 Megalomicin A; 4A-Propanoyl C47H84N2O16 932.582084 NA MeJP NA NA +PJ087323 GTLKKKKM C41H80N12O10S 932.5842 NA PeJP NA NA +PJ087324 VLLKKFW C49H76N10O8 932.5848 NA PeJP NA NA +MJ098083 Sphinxolide F; 8-Demethoxy, 10-deoxy, 19-Me ether C52H84O14 932.586107 NA MeJP NA NA +PJ087325 VVLKRRY C43H76N14O9 932.592 NA PeJP NA NA +PJ087326 SVLLLLLY C47H80N8O11 932.5947 NA PeJP NA NA +PJ087327 STTLKKKK C41H80N12O12 932.6019 NA PeJP NA NA +PJ087328 AKKKFRR C42H76N16O8 932.6032 NA PeJP NA NA +PJ087329 GVLLLKKY C46H80N10O10 932.6059 NA PeJP NA NA +MJ098084 Isocangorosin A; 6',7'-Dihydro C60H84O8 932.616619 NA MeJP NA NA +PJ087330 LLLKKRY C45H80N12O9 932.6172 NA PeJP NA NA +PJ087331 VKKKKFR C44H80N14O8 932.6284 NA PeJP NA NA +PJ087332 VLLLLLLH C47H84N10O9 932.6423 NA PeJP NA NA +HMDB05471 TG(18:2(9Z,12Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C61H104O6 932.78326 http://www.hmdb.ca/metabolites/HMDB05471 HMDB NA NA +HMDB05471 TG(18:2(9Z,12Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C61H104O6 932.78326 HMDB05471 PFEM_hmdb_metabocards_official NA NA +HMDB05471 TG(18:2(9Z,12Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C61H104O6 932.783264 NA HMDB2010 NA NA +HMDB10468 TG(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] C61H104O6 932.783264 NA HMDB2010 NA NA +HMDB10486 TG(18:2(9Z,12Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6] C61H104O6 932.783264 NA HMDB2010 NA NA +PJ087333 GCCCCCCCH C29H47N11O10S7 933.1553 NA PeJP NA NA +PJ087334 PPCCCCCCC C31H51N9O10S7 933.1804 NA PeJP NA NA +PJ087335 GCCCCCNND C29H47N11O14S5 933.1908 NA PeJP NA NA +PJ087336 GSCCCCDDE C30H47N9O17S4 933.1973 NA PeJP NA NA +PJ087337 GPCCCCCDM C31H51N9O12S6 933.1982 NA PeJP NA NA +PJ087338 SCCCCDDW C34H47N9O14S4 933.2126 NA PeJP NA NA +C11407 (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA C31H50N7O18P3S 933.2146 NA KEGG NA NA +C11421 (3S)-3-Isopropenyl-6-oxoheptanoyl-CoA C31H50N7O18P3S 933.2146 NA KEGG NA NA +C11934 2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA C31H50N7O18P3S 933.2146 NA KEGG NA NA +C11948 2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA C31H50N7O18P3S 933.2146 NA KEGG NA NA +PJ087339 SSSCCCDDD C30H47N9O19S3 933.2151 NA PeJP NA NA +PJ087340 CCCNDDMM C31H51N9O14S5 933.2159 NA PeJP NA NA +PJ087341 GGCCCDDMM C31H51N9O14S5 933.216 NA PeJP NA NA +MetaCyc04328 cobalt-factor III [] C43H46N4O16COBALT1 933.224082 NA metacyc NA NA +C17401 Cobalt-factor III C43H46CoN4O16 933.2241 NA KEGG NA NA +PJ087342 CCCCCDER C30H51N11O13S5 933.2272 NA PeJP NA NA +PJ087343 CCCNDDDF C34H47N9O16S3 933.2303 NA PeJP NA NA +PJ087344 GCCCCEMW C35H51N9O11S5 933.2312 NA PeJP NA NA +PJ087345 GSSCCCDEM C31H51N9O16S4 933.2337 NA PeJP NA NA +PJ087346 GSPCCCCMM C32H55N9O11S6 933.2346 NA PeJP NA NA +PJ087347 CCCCNDHH C32H47N13O12S4 933.235 NA PeJP NA NA +PJ087348 GGCCCCDHH C32H47N13O12S4 933.2351 NA PeJP NA NA +PJ087349 SSSCCCCNQ C30H51N11O15S4 933.2449 NA PeJP NA NA +PJ087350 CCCCMWW C39H51N9O8S5 933.2465 NA PeJP NA NA +PJ087351 SCCNDDDY C34H47N9O18S2 933.2481 NA PeJP NA NA +PJ087352 SSCCCDMW C35H51N9O13S4 933.249 NA PeJP NA NA +PJ087353 SSSTCCCDE C31H51N9O18S3 933.2514 NA PeJP NA NA +PJ087354 SSSSCCDDM C31H51N9O18S3 933.2515 NA PeJP NA NA +PJ087355 SCCNDMMM C32H55N9O13S5 933.2523 NA PeJP NA NA +MJ098085 Caracurine V; Nb,Nb'-Di-Me C40H46N4O22(+) 933.252544 NA MeJP NA NA +MJ098086 Toxiferine I C40H46N4O22(+) 933.252544 NA MeJP NA NA +PJ087356 CCCCNNQF C34H51N11O12S4 933.2602 NA PeJP NA NA +PJ087357 GSSSSSCCCN C30H51N11O17S3 933.2627 NA PeJP NA NA +PJ087358 SCCCCEMR C31H55N11O12S5 933.2636 NA PeJP NA NA +PJ087359 GPCCCCYW C39H51N9O10S4 933.2642 NA PeJP NA NA +FL7AAAGL0057 Pelargonidin 3-O-[2-O-(6-O-(E)-feruloyl-beta-D-glucopyranosyl)-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelaronidin 3-(2-(6-ferulylglucosyl)glucoside)-5-glucoside C43H49O23 933.26646 214117-66-5 knapsack NA NA +FL7AAAGL0062 Pelargonidin 3-O-[6-O-(E)-feruloyl-2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(6-ferulyl-2-glucosylglucoside)-5-glucoside C43H49O23 933.26646 185027-87-6 knapsack NA NA +FL7AADGL0021 Peonidin 3-p-coumarylsophoroside-5-glucoside C43H49O23 933.26646 38718-99-9 knapsack NA NA +FL7AADGL0026 Peonidin 3-caffeylrutinoside-5-glucoside C43H49O23 933.26646 704210-28-6 knapsack NA NA +FL7AAHGL0015 Petanin;Petunidin 3-O-[6-O-(4-O-(E)-p-coumaroyl-O-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside C43H49O23 933.26646 69915-09-9 knapsack NA NA +C16295 Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside C43H49O23 933.2665 NA KEGG NA NA +PJ087360 GCCNDEMY C35H51N9O15S3 933.2667 NA PeJP NA NA +PJ087361 GTCCCMMW C36H55N9O10S5 933.2676 NA PeJP NA NA +PJ087362 GSSSCCEMM C32H55N9O15S4 933.2701 NA PeJP NA NA +PJ087363 CCNNNDDH C32H47N13O16S2 933.2706 NA PeJP NA NA +PJ087364 GCCQMMMM C33H59N9O10S6 933.271 NA PeJP NA NA +PJ087365 SCCCNMHH C33H51N13O11S4 933.2714 NA PeJP NA NA +PJ087366 SCNDDDEH C33H47N11O19S 933.2771 NA PeJP NA NA +PJ087367 SCCCNNQY C34H51N11O14S3 933.2779 NA PeJP NA NA +PJ087368 GCCCDDRY C34H51N11O14S3 933.278 NA PeJP NA NA +PJ087369 PCCCCCFR C35H55N11O9S5 933.2788 NA PeJP NA NA +PJ087370 SSSCCCCNK C31H55N11O14S4 933.2813 NA PeJP NA NA +PJ087371 CCNDMYW C39H51N9O12S3 933.282 NA PeJP NA NA +PJ087372 GCCCMMMR C32H59N11O9S6 933.2822 NA PeJP NA NA +PJ087373 PNDDDDDE C34H47N9O22 933.2836 NA PeJP NA NA +PJ087374 SSCNDDMY C35H51N9O17S2 933.2845 NA PeJP NA NA +PJ087375 SSSCCMMW C36H55N9O12S4 933.2853 NA PeJP NA NA +PJ087376 GGGCCEMMF C36H55N9O12S4 933.2854 NA PeJP NA NA +PJ087377 DDDDEYY C39H47N7O20 933.2876 NA PeJP NA NA +PJ087378 SSSSSCDMM C32H55N9O17S3 933.2878 NA PeJP NA NA +PJ087379 SSCNMMMM C33H59N9O12S5 933.2887 NA PeJP NA NA +PJ087380 GSSTCCCHH C33H51N13O13S3 933.2892 NA PeJP NA NA +PJ087381 DDEMMMY C37H55N7O15S3 933.2919 NA PeJP NA NA +PJ087382 GSCDDDHW C37H47N11O16S 933.2923 NA PeJP NA NA +PJ087383 GPCCCEHW C38H51N11O11S3 933.2932 NA PeJP NA NA +PJ087384 GSSSDDDDH C33H47N11O21 933.2948 NA PeJP NA NA +PJ087385 GSSSCCNNY C34H51N11O16S2 933.2957 NA PeJP NA NA +PJ087386 EMMMMMM C35H63N7O10S6 933.2961 NA PeJP NA NA +PJ087387 SPCCCCRY C35H55N11O11S4 933.2966 NA PeJP NA NA +PJ087388 ACCCYWW C43H51N9O9S3 933.2972 NA PeJP NA NA +PJ087389 GPDDDDDW C38H47N9O19 933.2989 NA PeJP NA NA +PJ087390 GSSCCEYW C39H51N9O14S2 933.2997 NA PeJP NA NA +PJ087391 STCCCMMR C32H59N11O11S5 933.2999 NA PeJP NA NA +PJ087392 GSCCCCCKK C32H59N11O11S5 933.3 NA PeJP NA NA +PJ087393 CCNMMFW C40H55N9O9S4 933.3006 NA PeJP NA NA +PJ087394 GSSSSCDEY C35H51N9O19S 933.3022 NA PeJP NA NA +PJ087395 GSCNEMMY C36H55N9O14S3 933.3031 NA PeJP NA NA +PJ087396 GCCYYYY C44H51N7O12S2 933.3037 NA PeJP NA NA +PJ087397 PCCCCKMF C37H59N9O9S5 933.304 NA PeJP NA NA +PJ087398 GCCCQHHF C37H51N13O10S3 933.3044 NA PeJP NA NA +PJ087399 GGACCCHHF C37H51N13O10S3 933.3045 NA PeJP NA NA +PJ087400 NNNNNDDD C32H47N13O20 933.3061 NA PeJP NA NA +PJ087401 DDDEMFY C40H51N7O17S 933.3062 NA PeJP NA NA +PJ087402 GSSSTCMMM C33H59N9O14S4 933.3065 NA PeJP NA NA +PJ087403 SSSSSCCHH C33H51N13O15S2 933.3069 NA PeJP NA NA +PJ087404 GCCDDEHR C33H51N13O15S2 933.307 NA PeJP NA NA +PJ087405 GCCKMMMM C34H63N9O9S6 933.3073 NA PeJP NA NA +PJ087406 TCCCCKHH C34H55N13O10S4 933.3078 NA PeJP NA NA +PJ087407 PCCCHWW C42H51N11O8S3 933.3085 NA PeJP NA NA +PJ087408 GNDDDDHF C37H47N11O18 933.3101 NA PeJP NA NA +PJ087409 DEMMMMF C38H59N7O12S4 933.3105 NA PeJP NA NA +PJ087410 CNDEMHW C38H51N11O13S2 933.311 NA PeJP NA NA +PJ087411 SSNDDEMH C34H51N11O18S 933.3135 NA PeJP NA NA +PJ087412 GSCCDMRY C35H55N11O13S3 933.3143 NA PeJP NA NA +PJ087413 GGGGSPPPCCC C35H55N11O13S3 933.3144 NA PeJP NA NA +PJ087414 GCNDDHHH C35H47N15O14S 933.3148 NA PeJP NA NA +PJ087415 SSCCYWW C43H51N9O11S2 933.315 NA PeJP NA NA +PJ087416 SSSSCDYW C39H51N9O16S 933.3175 NA PeJP NA NA +PJ087417 SCNMMYW C40H55N9O11S3 933.3183 NA PeJP NA NA +PJ087418 GGSCMMYW C40H55N9O11S3 933.3184 NA PeJP NA NA +PJ087419 SSSSSSDDY C35H51N9O21 933.32 NA PeJP NA NA +PJ087420 SSSNDMMY C36H55N9O16S2 933.3208 NA PeJP NA NA +PJ087421 GGSSSDMMY C36H55N9O16S2 933.3209 NA PeJP NA NA +PJ087422 NNMMMMY C37H59N9O11S4 933.3217 NA PeJP NA NA +PJ087423 CCDDHRW C37H51N13O12S2 933.3222 NA PeJP NA NA +PJ087424 SDEEEYY C40H51N7O19 933.324 NA PeJP NA NA +PJ087425 SSSSSSMMM C33H59N9O16S3 933.3242 NA PeJP NA NA +PJ087426 SSCDDDHR C33H51N13O17S 933.3247 NA PeJP NA NA +PJ087427 PDDMMYY C41H55N7O14S2 933.3249 NA PeJP NA NA +PJ087428 STCCKMMM C34H63N9O11S5 933.3251 NA PeJP NA NA +PJ087429 SPCCCEHR C34H55N13O12S3 933.3256 NA PeJP NA NA +PJ087430 GCDMHWW C42H51N11O10S2 933.3262 NA PeJP NA NA +PJ087431 TEEMMMY C38H59N7O14S3 933.3282 NA PeJP NA NA +PJ087432 GSSDDMHW C38H51N11O15S 933.3287 NA PeJP NA NA +PJ087433 PMMMMMY C39H63N7O9S5 933.3291 NA PeJP NA NA +PJ087434 TCCCRYW C39H55N11O10S3 933.3296 NA PeJP NA NA +PJ087435 SPDDDDDR C34H51N11O20 933.3312 NA PeJP NA NA +PJ087436 GGGGGGGEEEE C34H51N11O20 933.3313 NA PeJP NA NA +PJ087437 SSSCCERY C35H55N11O15S2 933.3321 NA PeJP NA NA +PJ087438 GCNEYYW C43H51N9O13S 933.3327 NA PeJP NA NA +PJ087439 CCQMMRY C36H59N11O10S4 933.333 NA PeJP NA NA +PJ087440 SPCCNHHH C36H51N15O11S2 933.3334 NA PeJP NA NA +PJ087441 CCMHFFF C44H55N9O8S3 933.3336 NA PeJP NA NA +PJ087442 GSSNDEYY C39H51N9O18 933.3352 NA PeJP NA NA +PJ087443 GSPDDEEW C39H51N9O18 933.3353 NA PeJP NA NA +PJ087444 CNNNNNNQ C32H51N15O16S 933.3359 NA PeJP NA NA +PJ087445 GGGGGGGGCNNQ C32H51N15O16S 933.336 NA PeJP NA NA +PJ087446 GSSTCMYW C40H55N9O13S2 933.3361 NA PeJP NA NA +PJ087447 GCCNNMHR C33H55N15O11S3 933.3368 NA PeJP NA NA +PJ087448 GSSSSSEMY C36H55N9O18S 933.3386 NA PeJP NA NA +PJ087449 PDDDFYY C44H51N7O16 933.3393 NA PeJP NA NA +PJ087450 GSSQMMMY C37H59N9O13S3 933.3395 NA PeJP NA NA +PJ087451 SSSCNNHW C37H51N13O14S 933.3399 NA PeJP NA NA +PJ087452 GGSSSCNHW C37H51N13O14S 933.34 NA PeJP NA NA +PJ087453 GCCCKHHF C38H55N13O9S3 933.3408 NA PeJP NA NA +PJ087454 SSSSSNNDH C33H51N13O19 933.3424 NA PeJP NA NA +PJ087455 GNNDDDER C33H51N13O19 933.3425 NA PeJP NA NA +PJ087456 AEEEMYY C41H55N7O16S 933.3426 NA PeJP NA NA +PJ087457 GSCDEMHR C34H55N13O14S2 933.3433 NA PeJP NA NA +PJ087458 GGGGGGGGPCQM C34H55N13O14S2 933.3434 NA PeJP NA NA +PJ087459 PDMMMFY C42H59N7O11S3 933.3435 NA PeJP NA NA +PJ087460 SSCEHWW C42H51N11O12S 933.344 NA PeJP NA NA +PJ087461 CCCMRRY C35H59N13O9S4 933.3442 NA PeJP NA NA +PJ087462 SSSSDEHW C38H51N11O17 933.3465 NA PeJP NA NA +PJ087463 VEMMMMY C39H63N7O11S4 933.3469 NA PeJP NA NA +PJ087464 SNEMMHW C39H55N11O12S2 933.3473 NA PeJP NA NA +PJ087465 GGSEMMHW C39H55N11O12S2 933.3474 NA PeJP NA NA +PJ087466 CNYYWW C47H51N9O10S 933.348 NA PeJP NA NA +PJ087467 SSSQEEMH C35H55N11O17S 933.3498 NA PeJP NA NA +PJ087468 GPDDDEMR C35H55N11O17S 933.3499 NA PeJP NA NA +PJ087469 SPDDEWW C43H51N9O15 933.3505 NA PeJP NA NA +PJ087470 GSSCMMRY C36H59N11O12S3 933.3507 NA PeJP NA NA +PJ087471 GSNDMHHH C36H51N15O13S 933.3512 NA PeJP NA NA +PJ087472 PPCDMWW C44H55N9O10S2 933.3514 NA PeJP NA NA +PJ087473 GSSNNNNNN C32H51N15O18 933.3537 NA PeJP NA NA +PJ087474 SSSSSMYW C40H55N9O15S 933.3539 NA PeJP NA NA +PJ087475 SSCCNQHR C33H55N15O13S2 933.3545 NA PeJP NA NA +PJ087476 GGSSCCQHR C33H55N15O13S2 933.3546 NA PeJP NA NA +PJ087477 TCCKMYW C41H59N9O10S3 933.3547 NA PeJP NA NA +PJ087478 GGGGMMMFF C41H59N9O10S3 933.3548 NA PeJP NA NA +PJ087479 CNNNHFW C41H51N13O11S 933.3552 NA PeJP NA NA +PJ087480 SSSSSSTEY C36H55N9O20 933.3563 NA PeJP NA NA +PJ087481 AAQEEEEE C36H55N9O20 933.3564 NA PeJP NA NA +PJ087482 SSSTQMMY C37H59N9O15S2 933.3572 NA PeJP NA NA +PJ087483 GGSPPEEMM C37H59N9O15S2 933.3573 NA PeJP NA NA +PJ087484 NNDDDRW C37H51N13O16 933.3577 NA PeJP NA NA +PJ087485 PPCEYYY C45H55N7O13S 933.3579 NA PeJP NA NA +PJ087486 CQKMMMY C38H63N9O10S4 933.3581 NA PeJP NA NA +PJ087487 SCDMHRW C38H55N13O11S2 933.3586 NA PeJP NA NA +PJ087488 DDHHHHH C38H47N17O12 933.3591 NA PeJP NA NA +PJ087489 TTEEEYY C41H55N7O18 933.3604 NA PeJP NA NA +PJ087490 SSSDDMHR C34H55N13O16S 933.3611 NA PeJP NA NA +PJ087491 PTEMMYY C42H59N7O13S2 933.3613 NA PeJP NA NA +PJ087492 GNNEEWW C42H51N11O14 933.3617 NA PeJP NA NA +PJ087493 GGGGGEEWW C42H51N11O14 933.3618 NA PeJP NA NA +PJ087494 NDMMMHR C35H59N13O11S3 933.362 NA PeJP NA NA +PJ087495 PMMMMFF C43H63N7O8S4 933.3621 NA PeJP NA NA +PJ087496 GSMMHWW C43H55N11O9S2 933.3626 NA PeJP NA NA +PJ087497 PDDDMRW C39H55N11O14S 933.3651 NA PeJP NA NA +PJ087498 LMMMMMF C40H67N7O8S5 933.3655 NA PeJP NA NA +PJ087499 AQMMMHW C40H59N11O9S3 933.366 NA PeJP NA NA +PJ087500 SCQHHHW C40H51N15O10S 933.3664 NA PeJP NA NA +PJ087501 GGTCHHHW C40H51N15O10S 933.3665 NA PeJP NA NA +PJ087502 NEEEEER C35H55N11O19 933.3676 NA PeJP NA NA +PJ087503 SSSTCMRY C36H59N11O14S2 933.3685 NA PeJP NA NA +PJ087504 SSSNEHHH C36H51N15O15 933.3689 NA PeJP NA NA +PJ087505 GGSSSEHHH C36H51N15O15 933.369 NA PeJP NA NA +PJ087506 GPEEMWW C44H55N9O12S 933.3691 NA PeJP NA NA +PJ087507 CCKMMRY C37H63N11O9S4 933.3693 NA PeJP NA NA +PJ087508 PPPCCMMR C37H63N11O9S4 933.3694 NA PeJP NA NA +PJ087509 NQMMHHH C37H55N15O10S2 933.3698 NA PeJP NA NA +PJ087510 VNEEEEW C40H55N9O17 933.3716 NA PeJP NA NA +PJ087511 GSSSSCNHR C33H55N15O15S 933.3723 NA PeJP NA NA +PJ087512 GGGGGGGGGDMR C33H55N15O15S 933.3724 NA PeJP NA NA +PJ087513 GSPPEMMW C41H59N9O12S2 933.3725 NA PeJP NA NA +PJ087514 SNNNNWW C41H51N13O13 933.373 NA PeJP NA NA +PJ087515 CCEMHRR C34H59N15O10S3 933.3732 NA PeJP NA NA +PJ087516 GSSSTTTMY C37H59N9O17S 933.375 NA PeJP NA NA +PJ087517 APEEYYY C45H55N7O15 933.3756 NA PeJP NA NA +PJ087518 AEEEFFY C45H55N7O15 933.3757 NA PeJP NA NA +PJ087519 GSSKMMMY C38H63N9O12S3 933.3759 NA PeJP NA NA +PJ087520 GSPCNDRW C38H55N13O13S 933.3763 NA PeJP NA NA +PJ087521 GGGGGGQQMW C38H55N13O13S 933.3764 NA PeJP NA NA +PJ087522 PDMMFFF C46H59N7O10S2 933.3765 NA PeJP NA NA +PJ087523 NNEWWW C46H51N11O11 933.377 NA PeJP NA NA +PJ087524 ACMMHRW C39H59N13O8S3 933.3772 NA PeJP NA NA +PJ087525 GSNNEEER C34H55N13O18 933.3788 NA PeJP NA NA +PJ087526 DDDEERR C34H55N13O18 933.3789 NA PeJP NA NA +PJ087527 SLEEMYY C42H59N7O15S 933.379 NA PeJP NA NA +PJ087528 GSSEMMHR C35H59N13O13S2 933.3797 NA PeJP NA NA +PJ087529 PVMMMYY C43H63N7O10S3 933.3799 NA PeJP NA NA +PJ087530 GNNNNQHH C35H51N17O14 933.3802 NA PeJP NA NA +PJ087531 SSTMHWW C43H55N11O11S 933.3804 NA PeJP NA NA +PJ087532 CNMHHHR C36H55N17O9S2 933.3811 NA PeJP NA NA +PJ087533 GEEEERW C39H55N11O16 933.3829 NA PeJP NA NA +PJ087534 SDKMMHW C40H59N11O11S2 933.3837 NA PeJP NA NA +PJ087535 GGGGAAPMMW C40H59N11O11S2 933.3838 NA PeJP NA NA +PJ087536 GSSSHHHW C40H51N15O12 933.3842 NA PeJP NA NA +PJ087537 PEMWWW C48H55N9O9S 933.3844 NA PeJP NA NA +PJ087538 GSPEEEMR C36H59N11O16S 933.3862 NA PeJP NA NA +PJ087539 GGGGGLQEEM C36H59N11O16S 933.3863 NA PeJP NA NA +PJ087540 GVEEEWW C44H55N9O14 933.3869 NA PeJP NA NA +PJ087541 GPPDMMMR C37H63N11O11S3 933.3871 NA PeJP NA NA +PJ087542 CNNNQRW C37H55N15O12S 933.3876 NA PeJP NA NA +PJ087543 SPPMMWW C45H59N9O9S2 933.3877 NA PeJP NA NA +PJ087544 GCKMFYW C45H59N9O9S2 933.3878 NA PeJP NA NA +PJ087545 GPDHHWW C45H51N13O10 933.3882 NA PeJP NA NA +PJ087546 GSNDDDRR C33H55N15O17 933.3901 NA PeJP NA NA +PJ087547 SNKEMYY C41H59N9O14S 933.3902 NA PeJP NA NA +PJ087548 PDKEEMW C41H59N9O14S 933.3903 NA PeJP NA NA +PJ087549 APCCNDRR C34H59N15O12S2 933.3909 NA PeJP NA NA +PJ087550 GPCCNERR C34H59N15O12S2 933.391 NA PeJP NA NA +PJ087551 AAPPMMMW C42H63N9O9S3 933.3911 NA PeJP NA NA +PJ087552 GCEHFRW C42H55N13O10S 933.3916 NA PeJP NA NA +PJ087553 GNWWWW C50H51N11O8 933.3922 NA PeJP NA NA +PJ087554 GGGWWWW C50H51N11O8 933.3923 NA PeJP NA NA +PJ087555 SSSSTTTTY C37H59N9O19 933.3927 NA PeJP NA NA +PJ087556 AAKEEEEE C37H59N9O19 933.3928 NA PeJP NA NA +PJ087557 SSSTKMMY C38H63N9O14S2 933.3936 NA PeJP NA NA +PJ087558 SNNEERW C38H55N13O15 933.3941 NA PeJP NA NA +PJ087559 PPTMYYY C46H59N7O12S 933.3943 NA PeJP NA NA +PJ087560 CKKMMMY C39H67N9O9S4 933.3945 NA PeJP NA NA +PJ087561 SSMMHRW C39H59N13O10S2 933.395 NA PeJP NA NA +PJ087562 TEHHHHH C39H51N17O11 933.3954 NA PeJP NA NA +PJ087563 QMHFWW C47H55N11O8S 933.3956 NA PeJP NA NA +PJ087564 SSSTEMHR C35H59N13O15S 933.3975 NA PeJP NA NA +PJ087565 VVEMMYY C43H63N7O12S2 933.3976 NA PeJP NA NA +PJ087566 EEERWW C43H55N11O13 933.3981 NA PeJP NA NA +PJ087567 TQMMMHR C36H63N13O10S3 933.3983 NA PeJP NA NA +PJ087568 GAPPCCCKR C36H63N13O10S3 933.3984 NA PeJP NA NA +PJ087569 GSTCHHHR C36H55N17O11S 933.3988 NA PeJP NA NA +PJ087570 CLMHHFF C44H59N11O8S2 933.399 NA PeJP NA NA +PJ087571 GNHHHFW C44H51N15O9 933.3995 NA PeJP NA NA +PJ087572 SPEEMRW C40H59N11O13S 933.4015 NA PeJP NA NA +PJ087573 VEEWWW C48H55N9O11 933.4021 NA PeJP NA NA +PJ087574 AKMMMHW C41H63N11O8S3 933.4024 NA PeJP NA NA +PJ087575 SCKHHHW C41H55N15O9S 933.4028 NA PeJP NA NA +PJ087576 DKEEEER C36H59N11O18 933.404 NA PeJP NA NA +PJ087577 AAPEEMMR C37H63N11O13S2 933.4049 NA PeJP NA NA +PJ087578 GSSNNNRW C37H55N15O14 933.4053 NA PeJP NA NA +PJ087579 GGGGGGGSSRW C37H55N15O14 933.4054 NA PeJP NA NA +PJ087580 SPVEMWW C45H59N9O11S 933.4055 NA PeJP NA NA +PJ087581 PCCNRRW C38H59N15O9S2 933.4062 NA PeJP NA NA +PJ087582 CHFRWW C46H55N13O7S 933.4069 NA PeJP NA NA +PJ087583 VDKEEEW C41H59N9O16 933.408 NA PeJP NA NA +PJ087584 NNDEMRR C34H59N15O14S 933.4087 NA PeJP NA NA +PJ087585 PLQEMMW C42H63N9O11S2 933.4089 NA PeJP NA NA +PJ087586 ASNDRWW C42H55N13O12 933.4093 NA PeJP NA NA +PJ087587 GSNERWW C42H55N13O12 933.4094 NA PeJP NA NA +PJ087588 TCMMHRR C35H63N15O9S3 933.4096 NA PeJP NA NA +PJ087589 APTKEEEM C38H63N9O16S 933.4114 NA PeJP NA NA +PJ087590 SPLEYYY C46H59N7O14 933.412 NA PeJP NA NA +PJ087591 SPPLQMMM C39H67N9O11S3 933.4122 NA PeJP NA NA +PJ087592 APPKEMMM C39H67N9O11S3 933.4123 NA PeJP NA NA +PJ087593 GQQEMRW C39H59N13O12S 933.4127 NA PeJP NA NA +PJ087594 GGGGGGGAKMW C39H59N13O12S 933.4128 NA PeJP NA NA +PJ087595 PVMMFFY C47H63N7O9S2 933.4129 NA PeJP NA NA +PJ087596 NDKWWW C47H55N11O10 933.4134 NA PeJP NA NA +PJ087597 VMHHHHH C40H55N17O8S 933.4141 NA PeJP NA NA +PJ087598 SEEEERR C35H59N13O17 933.4152 NA PeJP NA NA +PJ087599 GGGGGGGGTTKE C35H59N13O17 933.4153 NA PeJP NA NA +PJ087600 PDEMMRR C36H63N13O12S2 933.4161 NA PeJP NA NA +PJ087601 VLMMMFY C44H67N7O9S3 933.4163 NA PeJP NA NA +PJ087602 SSSSHHHR C36H55N17O13 933.4166 NA PeJP NA NA +PJ087603 GVQQMWW C44H59N11O10S 933.4167 NA PeJP NA NA +PJ087604 GGGLQMWW C44H59N11O10S 933.4168 NA PeJP NA NA +PJ087605 PPYWWW C52H55N9O8 933.4174 NA PeJP NA NA +PJ087606 STTTTTHW C40H59N11O15 933.4192 NA PeJP NA NA +PJ087607 SVEEERW C40H59N11O15 933.4193 NA PeJP NA NA +PJ087608 CNDDRRR C33H59N17O13S 933.4199 NA PeJP NA NA +PJ087609 GGCDDRRR C33H59N17O13S 933.42 NA PeJP NA NA +PJ087610 PVDMMRW C41H63N11O10S2 933.4201 NA PeJP NA NA +PJ087611 SPDHHRW C41H55N15O11 933.4206 NA PeJP NA NA +PJ087612 APPMFWW C49H59N9O8S 933.4208 NA PeJP NA NA +PJ087613 LQEEEMR C37H63N11O15S 933.4226 NA PeJP NA NA +MJ098087 Antibiotic WS 7622; Antibiotic WS 7622D C45H59N9O13 933.423233 NA MeJP NA NA +PJ087614 ATLEEWW C45H59N9O13 933.4233 NA PeJP NA NA +PJ087615 APPTMMMR C38H67N11O10S3 933.4235 NA PeJP NA NA +PJ087616 CNNKHRY C38H59N15O11S 933.4239 NA PeJP NA NA +PJ087617 GNDMRRW C38H59N15O11S 933.424 NA PeJP NA NA +PJ087618 APLMMWW C46H63N9O8S2 933.4241 NA PeJP NA NA +PJ087619 SNRWWW C46H55N13O9 933.4246 NA PeJP NA NA +PJ087620 SSSNQQQR C34H59N15O16 933.4264 NA PeJP NA NA +PJ087621 GSSNEERR C34H59N15O16 933.4265 NA PeJP NA NA +PJ087622 VLQEEMW C42H63N9O13S 933.4266 NA PeJP NA NA +PJ087623 GGLLEEMW C42H63N9O13S 933.4267 NA PeJP NA NA +PJ087624 PPTFFYY C50H59N7O11 933.4273 NA PeJP NA NA +PJ087625 CKKMMFF C43H67N9O8S3 933.4275 NA PeJP NA NA +PJ087626 QQMRWW C43H59N13O9S 933.428 NA PeJP NA NA +PJ087627 PTTTKEEE C38H63N9O18 933.4291 NA PeJP NA NA +PJ087628 GTLKEEEE C38H63N9O18 933.4292 NA PeJP NA NA +PJ087629 GPLKEEMM C39H67N9O13S2 933.43 NA PeJP NA NA +PJ087630 SNDKERW C39H59N13O14 933.4305 NA PeJP NA NA +PJ087631 PCLLYYY C47H63N7O11S 933.4306 NA PeJP NA NA +PJ087632 PVVMYYY C47H63N7O11S 933.4307 NA PeJP NA NA +PJ087633 VNMMHFR C40H63N13O9S2 933.4313 NA PeJP NA NA +PJ087634 PCNKMRW C40H63N13O9S2 933.4314 NA PeJP NA NA +PJ087635 GNQHHRW C40H55N17O10 933.4318 NA PeJP NA NA +PJ087636 KMHFWW C48H59N11O7S 933.432 NA PeJP NA NA +PJ087637 STTTTMHR C36H63N13O14S 933.4338 NA PeJP NA NA +PJ087638 VDEEMRR C36H63N13O14S 933.4339 NA PeJP NA NA +PJ087639 TLLMMYY C44H67N7O11S2 933.434 NA PeJP NA NA +PJ087640 GTQKEWW C44H59N11O12 933.4345 NA PeJP NA NA +PJ087641 TKMMMHR C37H67N13O9S3 933.4347 NA PeJP NA NA +PJ087642 PCEHHRR C37H59N17O10S 933.4352 NA PeJP NA NA +PJ087643 SSSNNNRR C33H59N17O15 933.4377 NA PeJP NA NA +PJ087644 ALEEMRW C41H63N11O12S 933.4379 NA PeJP NA NA +PJ087645 SPPVYWW C49H59N9O10 933.4385 NA PeJP NA NA +PJ087646 GSPCCRRR C34H63N17O10S2 933.4386 NA PeJP NA NA +PJ087647 CQRRWW C42H59N15O8S 933.4392 NA PeJP NA NA +PJ087648 GTTLEEER C37H63N11O17 933.4404 NA PeJP NA NA +PJ087649 PPTTTMMR C38H67N11O12S2 933.4412 NA PeJP NA NA +PJ087650 GPTLEMMR C38H67N11O12S2 933.4413 NA PeJP NA NA +PJ087651 SSNERRW C38H59N15O13 933.4417 NA PeJP NA NA +PJ087652 GGGGGGGGGVFR C38H59N15O13 933.4418 NA PeJP NA NA +PJ087653 GLLEMWW C46H63N9O10S 933.4419 NA PeJP NA NA +PJ087654 GMMHFRR C39H63N15O8S2 933.4426 NA PeJP NA NA +PJ087655 PNHHHHR C39H55N19O9 933.4431 NA PeJP NA NA +PJ087656 TLKEEEW C42H63N9O15 933.4444 NA PeJP NA NA +PJ087657 SQQEMRR C35H63N15O13S 933.4451 NA PeJP NA NA +PJ087658 PLKEMMW C43H67N9O10S2 933.4453 NA PeJP NA NA +PJ087659 GSDKRWW C43H59N13O11 933.4457 NA PeJP NA NA +PJ087660 GGGAAPRYW C43H59N13O11 933.4458 NA PeJP NA NA +PJ087661 PVMFFFF C51H63N7O8S 933.4459 NA PeJP NA NA +PJ087662 GVLKEEEM C39H67N9O15S 933.4478 NA PeJP NA NA +PJ087663 ALLEYYY C47H63N7O13 933.4484 NA PeJP NA NA +PJ087664 SPPLKMMM C40H71N9O10S3 933.4486 NA PeJP NA NA +PJ087665 GAAPLLMMM C40H71N9O10S3 933.4487 NA PeJP NA NA +PJ087666 GQKEMRW C40H63N13O11S 933.4491 NA PeJP NA NA +PJ087667 VLMMFFF C48H67N7O8S2 933.4493 NA PeJP NA NA +PJ087668 TQKWWW C48H59N11O9 933.4498 NA PeJP NA NA +PJ087669 GSTQKEER C36H63N13O16 933.4516 NA PeJP NA NA +PJ087670 GSPQKMMR C37H67N13O11S2 933.4525 NA PeJP NA NA +PJ087671 NNNNFRR C37H59N17O12 933.4529 NA PeJP NA NA +PJ087672 GGNNNFRR C37H59N17O12 933.453 NA PeJP NA NA +PJ087673 GVQKMWW C45H63N11O9S 933.4531 NA PeJP NA NA +PJ087674 PLFWWW C53H59N9O7 933.4538 NA PeJP NA NA +PJ087675 TTLEERW C41H63N11O14 933.4556 NA PeJP NA NA +PJ087676 GGGGGPLKEY C41H63N11O14 933.4557 NA PeJP NA NA +PJ087677 SNDMRRR C34H63N17O12S 933.4563 NA PeJP NA NA +PJ087678 PTLMMRW C42H67N11O9S2 933.4565 NA PeJP NA NA +PJ087679 GSSRRWW C42H59N15O10 933.457 NA PeJP NA NA +PJ087680 LLMWWW C50H63N9O7S 933.4572 NA PeJP NA NA +PJ087681 LKEEEMR C38H67N11O14S 933.459 NA PeJP NA NA +PJ087682 STLLEWW C46H63N9O12 933.4596 NA PeJP NA NA +PJ087683 TTLLDWW C46H63N9O12 933.4597 NA PeJP NA NA +PJ087684 GPVLMMMR C39H71N11O9S3 933.4599 NA PeJP NA NA +PJ087685 GTQMRRW C39H63N15O10S 933.4603 NA PeJP NA NA +PJ087686 GGATMRRW C39H63N15O10S 933.4604 NA PeJP NA NA +PJ087687 GVLHHWW C47H59N13O8 933.461 NA PeJP NA NA +PJ087688 GSTTQERR C35H63N15O15 933.4628 NA PeJP NA NA +PJ087689 GSSDKERR C35H63N15O15 933.4629 NA PeJP NA NA +PJ087690 VLKEEMW C43H67N9O12S 933.463 NA PeJP NA NA +PJ087691 PVVFFYY C51H63N7O10 933.4637 NA PeJP NA NA +PJ087692 SNQHHRR C36H59N19O11 933.4642 NA PeJP NA NA +PJ087693 QKMRWW C44H63N13O8S 933.4644 NA PeJP NA NA +PJ087694 SSLLKEEE C39H67N9O17 933.4655 NA PeJP NA NA +PJ087695 SPVLKEMM C40H71N9O12S2 933.4664 NA PeJP NA NA +PJ087696 STQKERW C40H63N13O13 933.4669 NA PeJP NA NA +PJ087697 VVLMFYY C48H67N7O10S 933.467 NA PeJP NA NA +PJ087698 PPMMFRR C41H67N13O8S2 933.4677 NA PeJP NA NA +PJ087699 GNKHHRW C41H59N17O9 933.4682 NA PeJP NA NA +PJ087700 TLEEMRR C37H67N13O13S 933.4702 NA PeJP NA NA +PJ087701 GGKKEEMR C37H67N13O13S 933.4703 NA PeJP NA NA +PJ087702 GTKKEWW C45H63N11O11 933.4709 NA PeJP NA NA +PJ087703 PLMMMRR C38H71N13O8S3 933.4711 NA PeJP NA NA +PJ087704 GTCRRRW C38H63N17O9S 933.4716 NA PeJP NA NA +PJ087705 LHHRWW C46H59N15O7 933.4722 NA PeJP NA NA +2604 tachykinin family from white shrimp Penaeus vannam APSGFLGMR~ 933.4724 antibacterial Inhouse_peptide NA peptide +PJ087706 GSSSERRR C34H63N17O14 933.4741 NA PeJP NA NA +PJ087707 SLLEMRW C42H67N11O11S 933.4743 NA PeJP NA NA +PJ087708 GPLLYWW C50H63N9O9 933.4749 NA PeJP NA NA +PJ087709 GQMMRRR C35H67N17O9S2 933.475 NA PeJP NA NA +PJ087710 CKRRWW C43H63N15O7S 933.4756 NA PeJP NA NA +PJ087711 STTLQQKE C38H67N11O16 933.4767 NA PeJP NA NA +PJ087712 SSTLLEER C38H67N11O16 933.4768 NA PeJP NA NA +PJ087713 AALLEMMR C39H71N11O11S2 933.4776 NA PeJP NA NA +PJ087714 GGGGALLKMM C39H71N11O11S2 933.4777 NA PeJP NA NA +PJ087715 SSDKRRW C39H63N15O12 933.4781 NA PeJP NA NA +PJ087716 SVLLMWW C47H67N9O9S 933.4783 NA PeJP NA NA +PJ087717 SSSLLLEW C43H67N9O14 933.4808 NA PeJP NA NA +PJ087718 SQKEMRR C36H67N15O12S 933.4815 NA PeJP NA NA +PJ087719 LLLQMMW C44H71N9O9S2 933.4817 NA PeJP NA NA +PJ087720 GTTKRWW C44H63N13O10 933.4821 NA PeJP NA NA +PJ087721 SSSSPLLLM C40H71N9O14S 933.4841 NA PeJP NA NA +PJ087722 ATLLKEEM C40H71N9O14S 933.4842 NA PeJP NA NA +PJ087723 SLLLYYY C48H67N7O12 933.4848 NA PeJP NA NA +PJ087724 APLLKMMM C41H75N9O9S3 933.485 NA PeJP NA NA +PJ087725 GKKEMRW C41H67N13O10S 933.4855 NA PeJP NA NA +PJ087726 TKKWWW C49H63N11O8 933.4861 NA PeJP NA NA +PJ087727 PPVLHWW C49H63N11O8 933.4862 NA PeJP NA NA +PJ087728 GSTKKEER C37H67N13O15 933.488 NA PeJP NA NA +PJ087729 VLEMMRR C38H71N13O10S2 933.4889 NA PeJP NA NA +PJ087730 SSSRRRW C38H63N17O11 933.4893 NA PeJP NA NA +PJ087731 GGGEFRRR C38H63N17O11 933.4894 NA PeJP NA NA +PJ087732 GVKKMWW C46H67N11O8S 933.4895 NA PeJP NA NA +PJ087733 SKKKEEW C42H67N11O13 933.492 NA PeJP NA NA +PJ087734 STQMRRR C35H67N17O11S 933.4927 NA PeJP NA NA +PJ087735 VVLMMRW C43H71N11O8S2 933.4929 NA PeJP NA NA +PJ087736 AAQFRRW C43H63N15O9 933.4934 NA PeJP NA NA +PJ087737 ATTLLEMR C39H71N11O13S 933.4954 NA PeJP NA NA +PJ087738 PVLKEYW C47H67N9O11 933.496 NA PeJP NA NA +PJ087739 GGLLLEFW C47H67N9O11 933.4961 NA PeJP NA NA +PJ087740 GTKMRRW C40H67N15O9S 933.4967 NA PeJP NA NA +PJ087741 GSTTKERR C36H67N15O14 933.4992 NA PeJP NA NA +PJ087742 GTTLLLMW C44H71N9O11S 933.4994 NA PeJP NA NA +PJ087743 VVLFFFY C52H67N7O9 933.5001 NA PeJP NA NA +PJ087744 SNKHHRR C37H63N19O10 933.5006 NA PeJP NA NA +PJ087745 KKMRWW C45H67N13O7S 933.5008 NA PeJP NA NA +PJ087746 TTTLLKEE C40H71N9O16 933.5019 NA PeJP NA NA +PJ087747 GLLLKEMM C41H75N9O11S2 933.5028 NA PeJP NA NA +PJ087748 STKKERW C41H67N13O12 933.5032 NA PeJP NA NA +PJ087749 TTDKKRW C41H67N13O12 933.5033 NA PeJP NA NA +PJ087750 STCRRRR C34H67N19O10S 933.5039 NA PeJP NA NA +PJ087751 NFRRRW C42H63N17O8 933.5046 NA PeJP NA NA +PJ087752 DKKKEMR C38H71N13O12S 933.5066 NA PeJP NA NA +PJ087753 SSLKKWW C46H67N11O10 933.5073 NA PeJP NA NA +PJ087754 VVMHHRR C39H67N17O8S 933.508 NA PeJP NA NA +PJ087755 GSTTTRRR C35H67N17O13 933.5105 NA PeJP NA NA +PJ087756 TLQKKMW C43H71N11O10S 933.5106 NA PeJP NA NA +PJ087757 VDKKKMW C43H71N11O10S 933.5107 NA PeJP NA NA +PJ087758 GLLLFWW C51H67N9O8 933.5113 NA PeJP NA NA +PJ087759 TTTTLLER C39H71N11O15 933.5131 NA PeJP NA NA +PJ087760 SSLDKKKE C39H71N11O15 933.5132 NA PeJP NA NA +PJ087761 GTLLLMMR C40H75N11O10S2 933.514 NA PeJP NA NA +PJ087762 STTKRRW C40H67N15O11 933.5145 NA PeJP NA NA +PJ087763 PLLKMFW C48H71N9O8S 933.5147 NA PeJP NA NA +PJ087764 STTTLLLW C44H71N9O13 933.5172 NA PeJP NA NA +CJneg0658 Androsterone glucuronide [(2M-H)]- (13C) C4913CH75O16 933.517225 C18rt(min)=8.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0658 Androsterone glucuronide [(2M-H)]- (13C) C4913CH75O16 933.517225 C18rt(min)=8.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +PJ087765 SKKEMRR C37H71N15O11S 933.5179 NA PeJP NA NA +PJ087766 LLLKMMW C45H75N9O8S2 933.518 NA PeJP NA NA +PJ087767 GPKKRYW C45H67N13O9 933.5185 NA PeJP NA NA +PJ087768 STLLLKEM C41H75N9O13S 933.5205 NA PeJP NA NA +PJ087769 SVKKMRW C42H71N13O9S 933.5219 NA PeJP NA NA +PJ087770 SSSLKKER C38H71N13O14 933.5244 NA PeJP NA NA +PJ087771 LQKKMMR C39H75N13O9S2 933.5253 NA PeJP NA NA +PJ087772 GVQRRRY C39H67N17O10 933.5257 NA PeJP NA NA +PJ087773 GTTTLKKW C43H71N11O12 933.5284 NA PeJP NA NA +PJ087774 STKMRRR C36H71N17O10S 933.5291 NA PeJP NA NA +PJ087775 AKKKHHW C44H67N15O8 933.5297 NA PeJP NA NA +PJ087776 AAKFRRW C44H67N15O8 933.5298 NA PeJP NA NA +PJ087777 STTLLLMR C40H75N11O12S 933.5318 NA PeJP NA NA +PJ087778 VLLLQYW C48H71N9O10 933.5324 NA PeJP NA NA +PJ087779 PCKKFRR C41H71N15O8S 933.5331 NA PeJP NA NA +PJ087780 SSSTLKRR C37H71N15O13 933.5356 NA PeJP NA NA +PJ087781 GPLLLKMY C45H75N9O10S 933.5358 NA PeJP NA NA +PJ087782 CLKKMRR C38H75N15O8S2 933.5365 NA PeJP NA NA +PJ087783 QRRRRY C38H67N19O9 933.537 NA PeJP NA NA +PJ087784 SSSTTLLLL C41H75N9O15 933.5383 NA PeJP NA NA +PJ087785 SVLLLKMM C42H79N9O10S2 933.5392 NA PeJP NA NA +PJ087786 VVLERRY C42H71N13O11 933.5396 NA PeJP NA NA +PJ087787 GGGALLKRY C42H71N13O11 933.5397 NA PeJP NA NA +PJ087788 GTTLKKMR C39H75N13O11S 933.543 NA PeJP NA NA +PJ087789 ALLLRYW C47H71N11O9 933.5437 NA PeJP NA NA +PJ087790 TLKKKMW C44H75N11O9S 933.547 NA PeJP NA NA +PJ087791 GPHRRRR C37H67N21O8 933.5482 NA PeJP NA NA +PJ087792 STTLKKKE C40H75N11O14 933.5495 NA PeJP NA NA +3362 NA LKVGVKQY 933.55 celiac toxic Inhouse_peptide NA peptide +PJ087793 GVLKKKMM C41H79N11O9S2 933.5504 NA PeJP NA NA +PJ087794 SPKKRRY C41H71N15O10 933.5509 NA PeJP NA NA +PJ087795 ATLLLLQY C45H75N9O12 933.5535 NA PeJP NA NA +PJ087796 GVLLLKEY C45H75N9O12 933.5536 NA PeJP NA NA +PJ087797 GSCKKKKR C38H75N15O10S 933.5543 NA PeJP NA NA +PJ087798 GLKKFRW C46H71N13O8 933.5549 NA PeJP NA NA +PJ087799 VLLMFRR C43H75N13O8S 933.5583 NA PeJP NA NA +PJ087800 STTTLKKR C39H75N13O13 933.5608 NA PeJP NA NA +PJ087801 LKKKMMR C40H79N13O8S2 933.5616 NA PeJP NA NA +3668 NA KKFDLRK 933.5619 ACE inhibitor Inhouse_peptide NA peptide +PJ087802 GVKRRRY C40H71N17O9 933.5621 NA PeJP NA NA +PJ087803 LLLKERY C44H75N11O11 933.5648 NA PeJP NA NA +PJ087804 SSLLKKKM C41H79N11O11S 933.5682 NA PeJP NA NA +PJ087805 VLLLKYW C49H75N9O9 933.5688 NA PeJP NA NA +PJ087806 GLLLLKMF C46H79N9O9S 933.5722 NA PeJP NA NA +PJ087807 KRRRRY C39H71N19O8 933.5733 NA PeJP NA NA +PJ087808 PPPRRRR C39H71N19O8 933.5734 NA PeJP NA NA +PJ087809 TLLLRRY C43H75N13O10 933.576 NA PeJP NA NA +PJ087810 GSKKKKKM C40H79N13O10S 933.5794 NA PeJP NA NA +PJ087811 VVKKKFW C48H75N11O8 933.58 NA PeJP NA NA +PJ087812 ALKKRRY C42H75N15O9 933.5873 NA PeJP NA NA +PJ087813 ATLLLLKY C46H79N9O11 933.5899 NA PeJP NA NA +PJ087814 SPPPVVLLL C46H79N9O11 933.59 NA PeJP NA NA +PJ087815 SSTKKKKK C40H79N13O12 933.5972 NA PeJP NA NA +PJ087816 PLKKHRR C41H75N17O8 933.5985 NA PeJP NA NA +PJ087817 AALLKKKY C45H79N11O10 933.6012 NA PeJP NA NA +PJ087818 VLKKKRY C44H79N13O9 933.6124 NA PeJP NA NA +PJ087819 GPPVLLLLL C47H83N9O10 933.6263 NA PeJP NA NA +PJ087820 PPLLLLLR C46H83N11O9 933.6376 NA PeJP NA NA +PJ087821 KKKKKKF C45H83N13O8 933.6488 NA PeJP NA NA +MJ098088 Bastadin 4; 16-Debromo C34H26Br4N4O8 933.848414 NA MeJP NA NA +MJ098089 Bastadin 4; 30-Debromo C34H26Br4N4O8 933.848414 NA MeJP NA NA +C10211 Alnusiin C41H26O26 934.0712 NA KEGG NA NA +MJ098090 Alnusiin C41H26O26 934.071231 NA MeJP NA NA +MJ098091 Alnusnin B C41H26O26 934.071231 NA MeJP NA NA +MJ098092 Calamansanin; 1,6-Bis-O-degalloyl C41H26O26 934.071231 NA MeJP NA NA +MJ098093 Grandinin; 1-Deglycosyl, 1?-hydroxy C41H26O26 934.071231 NA MeJP NA NA +MJ098094 Grandinin; 1-Deglycosyl, 1?-hydroxy C41H26O26 934.071231 NA MeJP NA NA +MJ098095 Praecoxin C; 1-O-Degalloyl C41H26O26 934.071231 NA MeJP NA NA +MJ098096 Punicalin; 2-O-(3,4,5-Trihydroxybenzoyl) C41H26O26 934.071231 NA MeJP NA NA +MJ098097 Punicalin; 3-O-(3,4,5-Trihydroxybenzoyl) C41H26O26 934.071231 NA MeJP NA NA +PJ087822 GCCCCCNDD C29H46N10O15S5 934.1748 NA PeJP NA NA +MJ098098 Sennidin, 5,5'-Diglucosyl, oxalyl C44H38O23 934.180387 NA MeJP NA NA +PJ087823 SPCCCCCCN C30H50N10O12S6 934.1934 NA PeJP NA NA +PJ087824 CCCDDDMM C31H50N8O15S5 934.2 NA PeJP NA NA +C12450 Pseudoecgonyl-CoA C30H49N8O18P3S 934.2098 NA KEGG NA NA +HMDB06403 Pseudoecgonyl-CoA C30H49N8O18P3S 934.209839 NA HMDB2010 NA NA +HMDB06403 Pseudoecgonyl-CoA C30H49N8O18P3S 934.20984 http://www.hmdb.ca/metabolites/HMDB06403 HMDB NA NA +HMDB06403 Pseudoecgonyl-CoA C30H49N8O18P3S 934.20984 HMDB06403 PFEM_hmdb_metabocards_official NA NA +PJ087825 GSCCCCNDM C30H50N10O14S5 934.2112 NA PeJP NA NA +PJ087826 CCCDDDDF C34H46N8O17S3 934.2144 NA PeJP NA NA +PJ087827 CCCCDDHH C32H46N12O13S4 934.2191 NA PeJP NA NA +PJ087828 SCCCCCQW C34H50N10O11S5 934.2264 NA PeJP NA NA +PJ087829 GGTCCCCCW C34H50N10O11S5 934.2265 NA PeJP NA NA +PJ087830 SSSCCCCNE C30H50N10O16S4 934.2289 NA PeJP NA NA +PJ087831 GGSSSCCCCE C30H50N10O16S4 934.229 NA PeJP NA NA +PJ087832 CCCCNQMM C31H54N10O11S6 934.2298 NA PeJP NA NA +PJ087833 SCCDDDDY C34H46N8O19S2 934.2321 NA PeJP NA NA +PJ087834 PCCCCDEY C35H50N8O14S4 934.233 NA PeJP NA NA +PJ087835 SCCDDMMM C32H54N8O14S5 934.2363 NA PeJP NA NA +FL3FACDS0019 Isoorientin 4'-O-glucoside-2''-(4-glucosylcaffeate) C42H46O24 934.2379 57186-28-4 knapsack NA NA +FL5FAAGL0094 Kaempferol 3-(2'''-(E)-caffeylsophoroside)-7-glucoside C42H46O24 934.2379 151649-65-9 knapsack NA NA +FL5FACGL0066 Quercetin 3-(6''''-p-coumarylsophorotrioside) C42H46O24 934.2379 167638-65-5 knapsack NA NA +FL5FACGL0072 Quercetin 3-(2'''-ferulylsambubioside)-7-glucoside C42H46O24 934.2379 162556-35-6 knapsack NA NA +FL5FACGL0073 Quercetin 3-p-coumarylsophoroside-7-glucoside C42H46O24 934.2379 162556-36-7 knapsack NA NA +FL5FACGL0079 Quercetin 7-O-(6-trans-caffeoyl)-beta-glucopyranosyl-(1->3)-alpha-rhamnopyranoside-3-O-beta-glucopyranoside C42H46O24 934.2379 352644-37-2 knapsack NA NA +FL5FACGS0116 Quercetin 3-(6''-caffeoylsophoroside)-7-rhamnoside;7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]-5-hydroxy-4H-1-benzopyran-4-one C42H46O24 934.2379 342620-93-3 knapsack NA NA +FL5FACGS0118 Quercetin 3-[(6''-feruloylglucosyl)-(1->2)-beta-arabinopyranoside]-7-glucoside;2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-[[2-O-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-L-arabinopyranosyl]oxy]-4H-1-benzopyran-4-one C42H46O24 934.2379 274931-29-2 knapsack NA NA +MJ098099 3,3',4',5,7-Pentahydroxyflavone; 3-O-[4-Hydroxycinnamoyl-(??)-sophorotrioside] C42H46O24 934.237902 NA MeJP NA NA +MJ098100 Astragalin; 3-O-(3,4-Dihydroxycinnamoylsophoroside), 7-glucoside C42H46O24 934.237902 NA MeJP NA NA +MJ098101 Isoorientin; 2''-O-[?-D-Glucopyranosyl-(1?4)-3,4-dihydroxy-E-cinnamoyl], 4'-O-?-D-glucopyranoside C42H46O24 934.237902 NA MeJP NA NA +MJ098102 Isoquercitrin; 7-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside] (E-) C42H46O24 934.237902 NA MeJP NA NA +MJ098103 Quercimeritrin; 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-L-arabinopyranoside] C42H46O24 934.237902 NA MeJP NA NA +MJ098104 Quercimeritrin; 3-O-?-L-Rhamnopyranoside, 4'-O-[3,4-dihydroxycinnamoyl-(??)-?-D-galactopyranoside] C42H46O24 934.237902 NA MeJP NA NA +MJ098105 Vincetoxicoside B; 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H46O24 934.237902 NA MeJP NA NA +MJ098106 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3,3'-Di-O-?-D-glucopyranoside, 5-O-[4-hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C42H47O24(+) 934.237902 NA MeJP NA NA +MJ098107 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?3)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C42H47O24(+) 934.237902 NA MeJP NA NA +MJ098108 3,3',4',5,7-Pentahydroxyflavylium(1+); 7-O-[(3,4-Dihydroxy-E-cinnamoyl)-(?6)-?-D-glucopyranoside], 3,3'-di-O-?-D-glucopyranoside C42H47O24(+) 934.237902 NA MeJP NA NA +PJ087836 CCCCCNMR C30H54N12O10S6 934.2411 NA PeJP NA NA +PJ087837 GSSSCCCCW C34H50N10O13S4 934.2442 NA PeJP NA NA +PJ087838 GSSSSSCCCD C30H50N10O18S3 934.2467 NA PeJP NA NA +PJ087839 GSSCCCNMM C31H54N10O13S5 934.2476 NA PeJP NA NA +PJ087840 GCCDDEMY C35H50N8O16S3 934.2507 NA PeJP NA NA +PJ087841 PCCCCEMF C36H54N8O11S5 934.2516 NA PeJP NA NA +PJ087842 CCNNDDDH C32H46N12O17S2 934.2546 NA PeJP NA NA +PJ087843 GCCEMMMM C33H58N8O11S6 934.255 NA PeJP NA NA +PJ087844 SCCCDMHH C33H50N12O12S4 934.2554 NA PeJP NA NA +PJ087845 GSTCCCCCR C30H54N12O12S5 934.2588 NA PeJP NA NA +FL5FAAGL0054 Kaempferol 3-sophorotrioside-7-glucoside C39H50O26 934.25903 - knapsack NA NA +FL5FAAGL0060 Kaempferol 3-gentiobioside-7,4'-diglucoside C39H50O26 934.25903 106900-15-6 knapsack NA NA +FL5FAAGS0099 Kaempferol 3-sophoroside-7-cellobioside;3-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C39H50O26 934.25903 220342-42-7 knapsack NA NA +FL5FACGL0052 Quercetin 3-rutinoside-7,3'-diglucoside C39H50O26 934.25903 75213-00-2 knapsack NA NA +MJ098109 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C39H50O26 934.259031 NA MeJP NA NA +MJ098110 Astragalin; 6''-?-D-Glucopyranosyl, 4',7-di-O-?-D-glucopyranoside C39H50O26 934.259031 NA MeJP NA NA +MJ098111 Populnin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C39H50O26 934.259031 NA MeJP NA NA +MJ098112 Populnin; 4''-O-?-D-Glucopyranosyl, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C39H50O26 934.259031 NA MeJP NA NA +MJ098113 Quercimeritrin; 3-O-(Rhamnosylglucosylglucoside) C39H50O26 934.259031 NA MeJP NA NA +MJ098114 Rutin; 3',7-Di-O-?-D-glucopyranoside C39H50O26 934.259031 NA MeJP NA NA +MJ098115 Rutin; 4'-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] C39H50O26 934.259031 NA MeJP NA NA +MJ098116 Vincetoxicoside B; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C39H50O26 934.259031 NA MeJP NA NA +PJ087846 GCCCCNFW C38H50N10O10S4 934.2595 NA PeJP NA NA +PJ087847 SCDDDDEH C33H46N10O20S 934.2611 NA PeJP NA NA +PJ087848 SCCCNNEY C34H50N10O15S3 934.262 NA PeJP NA NA +PJ087849 SCCCCCKW C35H54N10O10S5 934.2628 NA PeJP NA NA +PJ087850 SSSSCCCQM C31H54N10O15S4 934.2653 NA PeJP NA NA +PJ087851 CCDDMYW C39H50N8O13S3 934.266 NA PeJP NA NA +PJ087852 CCCCNKMM C32H58N10O10S6 934.2662 NA PeJP NA NA +PJ087853 PDDDDDDE C34H46N8O23 934.2676 NA PeJP NA NA +PJ087854 SSCDDDMY C35H50N8O18S2 934.2685 NA PeJP NA NA +PJ087855 SPCCCEMY C36H54N8O13S4 934.2694 NA PeJP NA NA +PJ087856 CCMMMMW C37H58N8O8S6 934.2702 NA PeJP NA NA +PJ087857 SSCDMMMM C33H58N8O13S5 934.2727 NA PeJP NA NA +PJ087858 GSPCCCNDH C33H50N12O14S3 934.2732 NA PeJP NA NA +PJ087859 ACCCMMHH C34H54N12O9S5 934.2741 NA PeJP NA NA +PJ087860 SSSSCCCCR C30H54N12O14S4 934.2766 NA PeJP NA NA +PJ087861 GSCCCNYW C38H50N10O12S3 934.2772 NA PeJP NA NA +PJ087862 GSSSCCNDY C34H50N10O17S2 934.2797 NA PeJP NA NA +PJ087863 GCCNNMMY C35H54N10O12S4 934.2806 NA PeJP NA NA +PJ087864 GSSSSSSCCM C31H54N10O17S3 934.2831 NA PeJP NA NA +PJ087865 GPCCDDYY C39H50N8O15S2 934.2837 NA PeJP NA NA +PJ087866 GCCDDEFF C39H50N8O15S2 934.2838 NA PeJP NA NA +PJ087867 GSTCCCCKM C32H58N10O12S5 934.284 NA PeJP NA NA +PJ087868 CCCNNNQH C32H50N14O13S3 934.2844 NA PeJP NA NA +PJ087869 GGGGGGCCCQH C32H50N14O13S3 934.2845 NA PeJP NA NA +PJ087870 CCDMMFW C40H54N8O10S4 934.2846 NA PeJP NA NA +PJ087871 GSCDEMMY C36H54N8O15S3 934.2871 NA PeJP NA NA +PJ087872 GPCCMMMY C37H58N8O10S5 934.288 NA PeJP NA NA +PJ087873 GCCCEHHF C37H50N12O11S3 934.2885 NA PeJP NA NA +PJ087874 NNNNDDDD C32H46N12O21 934.2901 NA PeJP NA NA +PJ087875 SCNNDDMH C33H50N12O16S2 934.291 NA PeJP NA NA +PJ087876 GTCMMMMM C34H62N8O10S6 934.2914 NA PeJP NA NA +PJ087877 GCCCCQRY C34H54N12O11S4 934.2918 NA PeJP NA NA +PJ087878 GDDDDDHF C37H46N10O19 934.2941 NA PeJP NA NA +PJ087879 CDDEMHW C38H50N10O14S2 934.295 NA PeJP NA NA +PJ087880 SSDDDEMH C34H50N10O19S 934.2975 NA PeJP NA NA +PJ087881 SSCCNQMY C35H54N10O14S3 934.2983 NA PeJP NA NA +PJ087882 GGGGSTCCMY C35H54N10O14S3 934.2984 NA PeJP NA NA +PJ087883 GCDDDHHH C35H46N14O15S 934.2988 NA PeJP NA NA +PJ087884 CCDDFFW C43H50N8O12S2 934.299 NA PeJP NA NA +PJ087885 SSSSSSSTCC C31H54N10O19S2 934.3008 NA PeJP NA NA +PJ087886 NDDDMYY C39H50N8O17S 934.3015 NA PeJP NA NA +PJ087887 SSSSCCCKM C32H58N10O14S4 934.3017 NA PeJP NA NA +PJ087888 GSSCCNNNH C32H50N14O15S2 934.3022 NA PeJP NA NA +PJ087889 SCDMMYW C40H54N8O12S3 934.3024 NA PeJP NA NA +PJ087890 PCCCCNHR C33H54N14O10S4 934.3031 NA PeJP NA NA +PJ087891 CCCHHFW C41H50N12O8S3 934.3037 NA PeJP NA NA +PJ087892 SPDDDEEE C35H50N8O22 934.304 NA PeJP NA NA +PJ087893 SSSDDMMY C36H54N8O17S2 934.3049 NA PeJP NA NA +PJ087894 NDMMMMY C37H58N8O12S4 934.3057 NA PeJP NA NA +PJ087895 GSCCNEHW C37H50N12O13S2 934.3062 NA PeJP NA NA +PJ087896 GSSSCNDEH C33H50N12O18S 934.3087 NA PeJP NA NA +PJ087897 SSSMMMMM C34H62N8O12S5 934.3091 NA PeJP NA NA +PJ087898 SSCCCNRY C34H54N12O13S3 934.3096 NA PeJP NA NA +MJ098117 Diospyrol; 8,8'-Di-O-(6-?-D-apiofuranosyl-?-D-glucopyranoside) C44H54O22 934.310673 NA MeJP NA NA +PJ087899 GPCNDDEW C38H50N10O16S 934.3127 NA PeJP NA NA +PJ087900 GGGPCDDEW C38H50N10O16S 934.3128 NA PeJP NA NA +PJ087901 GCCNNMFF C39H54N10O11S3 934.3136 NA PeJP NA NA +PJ087902 GNNDEEEE C34H50N10O21 934.3152 NA PeJP NA NA +PJ087903 GGGNDEEEE C34H50N10O21 934.3153 NA PeJP NA NA +PJ087904 GSSSSCNMY C35H54N10O16S2 934.3161 NA PeJP NA NA +PJ087905 ACDDYYW C43H50N8O14S 934.3167 NA PeJP NA NA +PJ087906 GCDEYYW C43H50N8O14S 934.3168 NA PeJP NA NA +PJ087907 CCEMMRY C36H58N10O11S4 934.317 NA PeJP NA NA +PJ087908 SPCCDHHH C36H50N14O12S2 934.3175 NA PeJP NA NA +PJ087909 GSSDDEYY C39H50N8O19 934.3193 NA PeJP NA NA +PJ087910 CNNNNNNE C32H50N14O17S 934.3199 NA PeJP NA NA +PJ087911 GGGGCNNNNE C32H50N14O17S 934.32 NA PeJP NA NA +PJ087912 GSPCDMYY C40H54N8O14S2 934.3201 NA PeJP NA NA +PJ087913 GCCNDMHR C33H54N14O12S3 934.3208 NA PeJP NA NA +PJ087914 ACMMMYW C41H58N8O9S4 934.321 NA PeJP NA NA +PJ087915 SCCNHWW C41H50N12O10S2 934.3215 NA PeJP NA NA +PJ087916 GPDEEEEM C36H54N8O19S 934.3226 NA PeJP NA NA +PJ087917 GSSEMMMY C37H58N8O14S3 934.3235 NA PeJP NA NA +PJ087918 SSSCNDHW C37H50N12O15S 934.324 NA PeJP NA NA +PJ087919 NMMMMMF C38H62N8O9S5 934.3244 NA PeJP NA NA +PJ087920 CNNMMHW C38H54N12O10S3 934.3248 NA PeJP NA NA +PJ087921 GGGGCMMHW C38H54N12O10S3 934.3249 NA PeJP NA NA +PJ087922 GNDDDDER C33H50N12O20 934.3265 NA PeJP NA NA +PJ087923 SSNNDMMH C34H54N12O15S2 934.3273 NA PeJP NA NA +PJ087924 GGGGSSDMMH C34H54N12O15S2 934.3274 NA PeJP NA NA +PJ087925 PCNDDWW C42H50N10O13S 934.328 NA PeJP NA NA +PJ087926 GCCCCKRY C35H58N12O10S4 934.3282 NA PeJP NA NA +PJ087927 GCCNQHHH C35H50N16O11S2 934.3287 NA PeJP NA NA +PJ087928 NNDEEEW C38H50N10O18 934.3305 NA PeJP NA NA +PJ087929 CNNQMYY C39H54N10O13S2 934.3313 NA PeJP NA NA +PJ087930 SDEMMHW C39H54N10O13S2 934.3314 NA PeJP NA NA +PJ087931 CDYYWW C47H50N8O11S 934.332 NA PeJP NA NA +PJ087932 PCMMMHW C40H58N10O8S4 934.3322 NA PeJP NA NA +PJ087933 SSSSSSCQY C35H54N10O18S 934.3338 NA PeJP NA NA +PJ087934 GGSSSSSTCY C35H54N10O18S 934.3339 NA PeJP NA NA +PJ087935 SSDDYYW C43H50N8O16 934.3345 NA PeJP NA NA +PJ087936 SSCCNKMY C36H58N10O13S3 934.3347 NA PeJP NA NA +PJ087937 GGGGPPCEMM C36H58N10O13S3 934.3348 NA PeJP NA NA +PJ087938 GCNNNNNW C36H50N14O14S 934.3352 NA PeJP NA NA +PJ087939 PTCCYYW C44H54N8O11S2 934.3354 NA PeJP NA NA +PJ087940 CCCQHRW C37H54N14O9S3 934.3361 NA PeJP NA NA +PJ087941 GSSNNNNND C32H50N14O19 934.3377 NA PeJP NA NA +PJ087942 PDEEEMW C40H54N8O16S 934.3379 NA PeJP NA NA +PJ087943 SSCCNEHR C33H54N14O14S2 934.3386 NA PeJP NA NA +PJ087944 SSMMMYW C41H58N8O11S3 934.3387 NA PeJP NA NA +PJ087945 GAPCMMYY C41H58N8O11S3 934.3388 NA PeJP NA NA +PJ087946 CNNDHFW C41H50N12O12S 934.3392 NA PeJP NA NA +PJ087947 AAEEEEEE C36H54N8O21 934.3404 NA PeJP NA NA +PJ087948 SSSTEMMY C37H58N8O16S2 934.3412 NA PeJP NA NA +PJ087949 SPPDEEMM C37H58N8O16S2 934.3413 NA PeJP NA NA +PJ087950 NDDDDRW C37H50N12O17 934.3417 NA PeJP NA NA +PJ087951 GGGGGGGSDEW C37H50N12O17 934.3418 NA PeJP NA NA +PJ087952 TQMMMMY C38H62N8O11S4 934.3421 NA PeJP NA NA +PJ087953 GSSCQMHW C38H54N12O12S2 934.3426 NA PeJP NA NA +PJ087954 SPCNDDER C34H54N12O17S 934.3451 NA PeJP NA NA +PJ087955 ANDDEWW C42H50N10O15 934.3457 NA PeJP NA NA +PJ087956 GNDEEWW C42H50N10O15 934.3458 NA PeJP NA NA +PJ087957 DDMMMHR C35H58N12O12S3 934.346 NA PeJP NA NA +PJ087958 SSCNNHHH C35H50N16O13S 934.3464 NA PeJP NA NA +PJ087959 GGGGSSCHHH C35H50N16O13S 934.3465 NA PeJP NA NA +PJ087960 GSPPCCWW C43H54N10O10S2 934.3466 NA PeJP NA NA +PJ087961 GSPNDEMW C39H54N10O15S 934.3491 NA PeJP NA NA +PJ087962 AEMMMHW C40H58N10O10S3 934.35 NA PeJP NA NA +PJ087963 SCEHHHW C40H50N14O11S 934.3505 NA PeJP NA NA +PJ087964 CMFYWW C48H54N8O8S2 934.3506 NA PeJP NA NA +PJ087965 GSSSSSSSSY C35H54N10O20 934.3516 NA PeJP NA NA +PJ087966 GSSSTCCKY C36H58N10O15S2 934.3525 NA PeJP NA NA +PJ087967 SSSDEHHH C36H50N14O16 934.353 NA PeJP NA NA +PJ087968 GSEMYYW C44H54N8O13S 934.3531 NA PeJP NA NA +PJ087969 GGDDMFFF C44H54N8O13S 934.3532 NA PeJP NA NA +PJ087970 TCMMMRY C37H62N10O10S4 934.3534 NA PeJP NA NA +PJ087971 GSSCCHRW C37H54N14O11S2 934.3538 NA PeJP NA NA +PJ087972 GGGAPPCCHH C37H54N14O11S2 934.3539 NA PeJP NA NA +PJ087973 ACMMFFW C45H58N8O8S3 934.354 NA PeJP NA NA +PJ087974 GSSTEEYY C40H54N8O18 934.3556 NA PeJP NA NA +PJ087975 VDEEEEW C40H54N8O18 934.3557 NA PeJP NA NA +PJ087976 GSSSSCDHR C33H54N14O16S 934.3563 NA PeJP NA NA +PJ087977 GGGGGNDDMR C33H54N14O16S 934.3564 NA PeJP NA NA +PJ087978 AQEMMYY C41H58N8O13S2 934.3565 NA PeJP NA NA +PJ087979 SNNNDWW C41H50N12O14 934.357 NA PeJP NA NA +PJ087980 GSCNMMHR C34H58N14O11S3 934.3572 NA PeJP NA NA +PJ087981 CNMHHFF C42H54N12O9S2 934.3579 NA PeJP NA NA +PJ087982 APTEEEEM C37H58N8O18S 934.359 NA PeJP NA NA +PJ087983 GTTTMMMY C38H62N8O13S3 934.3599 NA PeJP NA NA +PJ087984 SSSSNMHW C38H54N12O14S 934.3603 NA PeJP NA NA +PJ087985 GSPCDDRW C38H54N12O14S 934.3604 NA PeJP NA NA +PJ087986 NDEWWW C46H50N10O12 934.361 NA PeJP NA NA +PJ087987 APPCCCRW C39H58N12O9S3 934.3612 NA PeJP NA NA +MJ098118 Antibiotic PI 085 C49H58O18 934.362315 NA MeJP NA NA +MJ098119 Antibiotic PI 087 C49H58O18 934.362315 NA MeJP NA NA +MJ098120 Placetin; Placetin A1 C49H58O18 934.362315 NA MeJP NA NA +MJ098121 Vineomycin A1 C49H58O18 934.362315 NA MeJP NA NA +MJ098122 Vineomycin B2 C49H58O18 934.362315 NA MeJP NA NA +PJ087988 SSSSSSQEH C34H54N12O19 934.3628 NA PeJP NA NA +PJ087989 GSNDEEER C34H54N12O19 934.3629 NA PeJP NA NA +PJ087990 GPNDDMMR C35H58N12O14S2 934.3637 NA PeJP NA NA +PJ087991 GGGGGGGGPTMM C35H58N12O14S2 934.3638 NA PeJP NA NA +PJ087992 GNNNNEHH C35H50N16O15 934.3642 NA PeJP NA NA +PJ087993 SPNDMWW C43H54N10O12S 934.3644 NA PeJP NA NA +PJ087994 CDMHHHR C36H54N16O10S2 934.3651 NA PeJP NA NA +PJ087995 SQQEEEW C39H54N10O17 934.3669 NA PeJP NA NA +PJ087996 SCNNNNNR C32H54N16O15S 934.3676 NA PeJP NA NA +PJ087997 TTEMMHW C40H58N10O12S2 934.3677 NA PeJP NA NA +PJ087998 GGPQEMMW C40H58N10O12S2 934.3678 NA PeJP NA NA +PJ087999 NDEHHHF C40H50N14O13 934.3682 NA PeJP NA NA +PJ088000 SMYYWW C48H54N8O10S 934.3684 NA PeJP NA NA +PJ088001 GMMHHHW C41H54N14O8S2 934.3691 NA PeJP NA NA +PJ088002 SSSSSSCKY C36H58N10O17S 934.3702 NA PeJP NA NA +PJ088003 AAQQEEEM C36H58N10O17S 934.3703 NA PeJP NA NA +PJ088004 SSTEYYW C44H54N8O15 934.3709 NA PeJP NA NA +PJ088005 STCCCKKY C37H62N10O12S3 934.3711 NA PeJP NA NA +PJ088006 CNNNERW C37H54N14O13S 934.3716 NA PeJP NA NA +PJ088007 AAMMYYW C45H58N8O10S2 934.3718 NA PeJP NA NA +PJ088008 CCCKHRW C38H58N14O8S3 934.3725 NA PeJP NA NA +PJ088009 CQHHHHH C38H50N18O9S 934.3729 NA PeJP NA NA +PJ088010 GSDDDDRR C33H54N14O18 934.3741 NA PeJP NA NA +PJ088011 SDKEMYY C41H58N8O15S 934.3743 NA PeJP NA NA +PJ088012 TYYYYY C49H54N6O13 934.3749 NA PeJP NA NA +PJ088013 GPCCDERR C34H58N14O13S2 934.375 NA PeJP NA NA +PJ088014 PCKMMYY C42H62N8O10S3 934.3751 NA PeJP NA NA +PJ088015 GNNQMWW C42H54N12O11S 934.3756 NA PeJP NA NA +PJ088016 GDWWWW C50H50N10O9 934.3763 NA PeJP NA NA +PJ088017 GTLEEEEE C37H58N8O20 934.3768 NA PeJP NA NA +PJ088018 STTTTMMY C38H62N8O15S2 934.3776 NA PeJP NA NA +PJ088019 GPLEEEMM C38H62N8O15S2 934.3777 NA PeJP NA NA +PJ088020 SNDEERW C38H54N12O16 934.3781 NA PeJP NA NA +PJ088021 TKMMMMY C39H66N8O10S4 934.3785 NA PeJP NA NA +PJ088022 PCNEMRW C39H58N12O11S2 934.379 NA PeJP NA NA +PJ088023 NNNNHHW C39H50N16O12 934.3794 NA PeJP NA NA +PJ088024 GGNNNHHW C39H50N16O12 934.3795 NA PeJP NA NA +PJ088025 GPTCWWW C47H54N10O9S 934.3796 NA PeJP NA NA +PJ088026 NQEEEMR C35H58N12O16S 934.3815 NA PeJP NA NA +PJ088027 GTQEEWW C43H54N10O14 934.3821 NA PeJP NA NA +PJ088028 GGGGPEEFW C43H54N10O14 934.3822 NA PeJP NA NA +PJ088029 TEMMMHR C36H62N12O11S3 934.3824 NA PeJP NA NA +PJ088030 GPCNDHHR C36H54N16O12S 934.3828 NA PeJP NA NA +PJ088031 GPQMMWW C44H58N10O9S2 934.383 NA PeJP NA NA +PJ088032 GDHHHFW C44H50N14O10 934.3835 NA PeJP NA NA +PJ088033 CFFFWW C52H54N8O7S 934.3837 NA PeJP NA NA +PJ088034 VNQEEMW C40H58N10O14S 934.3855 NA PeJP NA NA +PJ088035 GSPYYYW C48H54N8O12 934.3861 NA PeJP NA NA +PJ088036 GAEFYYW C48H54N8O12 934.3862 NA PeJP NA NA +PJ088037 SLMMMHW C41H62N10O9S3 934.3864 NA PeJP NA NA +PJ088038 GCNNRWW C41H54N14O10S 934.3868 NA PeJP NA NA +PJ088039 GGGCNRWW C41H54N14O10S 934.3869 NA PeJP NA NA +PJ088040 GSQKEEEE C36H58N10O19 934.388 NA PeJP NA NA +PJ088041 SSTLEMMH C37H62N10O14S2 934.3889 NA PeJP NA NA +PJ088042 GSSNNDRW C37H54N14O15 934.3893 NA PeJP NA NA +PJ088043 GGGSSNDRW C37H54N14O15 934.3894 NA PeJP NA NA +PJ088044 ATTMYYW C45H58N8O12S 934.3895 NA PeJP NA NA +PJ088045 AALMMMMH C38H66N10O9S4 934.3898 NA PeJP NA NA +PJ088046 PCCDRRW C38H58N14O10S2 934.3902 NA PeJP NA NA +PJ088047 GSSHHHHH C38H50N18O11 934.3907 NA PeJP NA NA +PJ088048 TLEEEEW C41H58N8O17 934.392 NA PeJP NA NA +PJ088049 NDDEMRR C34H58N14O15S 934.3927 NA PeJP NA NA +PJ088050 GGGGGGGGGGSKM C34H58N14O15S 934.3928 NA PeJP NA NA +PJ088051 PLEEMMW C42H62N8O12S2 934.3929 NA PeJP NA NA +PJ088052 GSDERWW C42H54N12O13 934.3934 NA PeJP NA NA +PJ088053 PPTCCCRR C35H62N14O10S3 934.3936 NA PeJP NA NA +PJ088054 GPCMRWW C43H58N12O8S2 934.3942 NA PeJP NA NA +PJ088055 GVLEEEEM C38H62N8O17S 934.3954 NA PeJP NA NA +PJ088056 SPPLEMMM C39H66N8O12S3 934.3963 NA PeJP NA NA +PJ088057 GQEEMRW C39H58N12O13S 934.3967 NA PeJP NA NA +PJ088058 GGAEEMRW C39H58N12O13S 934.3968 NA PeJP NA NA +PJ088059 TQEWWW C47H54N10O11 934.3974 NA PeJP NA NA +PJ088060 CCKKMHW C40H62N12O8S3 934.3976 NA PeJP NA NA +PJ088061 APPCHHHH C40H54N16O9S 934.3981 NA PeJP NA NA +PJ088062 GSTQEEER C35H58N12O18 934.3992 NA PeJP NA NA +PJ088063 GGGTTEEER C35H58N12O18 934.3993 NA PeJP NA NA +PJ088064 GSPQEMMR C36H62N12O13S2 934.4001 NA PeJP NA NA +PJ088065 NNEEHHR C36H54N16O14 934.4006 NA PeJP NA NA +PJ088066 SPTQMWW C44H58N10O11S 934.4007 NA PeJP NA NA +PJ088067 GVQEMWW C44H58N10O11S 934.4008 NA PeJP NA NA +PJ088068 VMMMMHR C37H66N12O8S4 934.401 NA PeJP NA NA +PJ088069 AFYYWW C52H54N8O9 934.4014 NA PeJP NA NA +PJ088070 CCNHFRR C37H58N16O9S2 934.4015 NA PeJP NA NA +PJ088071 SSPTTQEW C40H58N10O16 934.4032 NA PeJP NA NA +PJ088072 SQKEEEW C40H58N10O16 934.4033 NA PeJP NA NA +PJ088073 CDDDRRR C33H58N16O14S 934.404 NA PeJP NA NA +PJ088074 PNKEMMW C41H62N10O11S2 934.4041 NA PeJP NA NA +PJ088075 GGGAAPPMMF C41H62N10O11S2 934.4042 NA PeJP NA NA +PJ088076 AQQEHHW C41H54N14O12 934.4046 NA PeJP NA NA +PJ088077 AAMFFYW C49H58N8O9S 934.4048 NA PeJP NA NA +PJ088078 LEEEEMR C37H62N10O16S 934.4066 NA PeJP NA NA +PJ088079 GGGVKEEEM C37H62N10O16S 934.4067 NA PeJP NA NA +PJ088080 TTTTYYW C45H58N8O14 934.4073 NA PeJP NA NA +PJ088081 ATTLMMMH C38H66N10O11S3 934.4075 NA PeJP NA NA +PJ088082 GDDMRRW C38H58N14O12S 934.408 NA PeJP NA NA +PJ088083 PCKMFFY C46H62N8O9S2 934.4082 NA PeJP NA NA +PJ088084 SDRWWW C46H54N12O10 934.4086 NA PeJP NA NA +PJ088085 CKHHHHH C39H54N18O8S 934.4093 NA PeJP NA NA +PJ088086 GSSDEERR C34H58N14O17 934.4105 NA PeJP NA NA +PJ088087 TTKEMYY C42H62N8O14S 934.4106 NA PeJP NA NA +PJ088088 VLEEEMW C42H62N8O14S 934.4107 NA PeJP NA NA +PJ088089 SSSCKMHR C35H62N14O12S2 934.4113 NA PeJP NA NA +PJ088090 GSPCEMRR C35H62N14O12S2 934.4114 NA PeJP NA NA +PJ088091 CLKMMFY C43H66N8O9S3 934.4115 NA PeJP NA NA +PJ088092 GSNNNHHR C35H54N18O13 934.4118 NA PeJP NA NA +PJ088093 QEMRWW C43H58N12O10S 934.412 NA PeJP NA NA +PJ088094 ATWWWW C51H54N10O8 934.4126 NA PeJP NA NA +PJ088095 GGPFWWW C51H54N10O8 934.4127 NA PeJP NA NA +PJ088096 SSLLEEEE C38H62N8O19 934.4132 NA PeJP NA NA +PJ088097 SPVLEEMM C39H66N8O14S2 934.414 NA PeJP NA NA +PJ088098 STQEERW C39H58N12O15 934.4145 NA PeJP NA NA +PJ088099 PPVVMMMM C40H70N8O9S4 934.4149 NA PeJP NA NA +PJ088100 SPQMMRW C40H62N12O10S2 934.4154 NA PeJP NA NA +PJ088101 GNEHHRW C40H54N16O11 934.4158 NA PeJP NA NA +PJ088102 GGGEHHRW C40H54N16O11 934.4159 NA PeJP NA NA +PJ088103 VQMWWW C48H58N10O8S 934.416 NA PeJP NA NA +PJ088104 NKEEEMR C36H62N12O15S 934.4179 NA PeJP NA NA +PJ088105 GTKEEWW C44H58N10O13 934.4185 NA PeJP NA NA +PJ088106 AAPQMMMR C37H66N12O10S3 934.4187 NA PeJP NA NA +PJ088107 GGGPVMMMR C37H66N12O10S3 934.4188 NA PeJP NA NA +PJ088108 SCNNRRW C37H58N16O11S 934.4192 NA PeJP NA NA +PJ088109 GPKMMWW C45H62N10O8S2 934.4194 NA PeJP NA NA +MJ098123 Gitaloxigenin; 3-O-[Di-O-formyl-2,6-dideoxy-?-D-ribo-hexopyranosyl(1?4)-3-O-formyl-2,6-dideoxy-?-D-ribo-hexopyranosyl(1?4)-3-O-acetyl-2,6-dideoxy-?-D-ribo-hexopyranoside] C47H66O19 934.419829 NA MeJP NA NA +PJ088110 AAQHHWW C45H54N14O9 934.4199 NA PeJP NA NA +PJ088111 SSSNNDRR C33H58N16O16 934.4217 NA PeJP NA NA +PJ088112 VNKEEMW C41H62N10O13S 934.4219 NA PeJP NA NA +PJ088113 LQYYYW C49H58N8O11 934.4225 NA PeJP NA NA +PJ088114 NNNMMRR C34H62N16O11S2 934.4226 NA PeJP NA NA +MJ098124 Petunioside A C44H70O19S 934.4232 NA MeJP NA NA +PJ088115 CERRWW C42H58N14O9S 934.4232 NA PeJP NA NA +PJ088116 GSKKEEEE C37H62N10O18 934.4244 NA PeJP NA NA +PJ088117 TTTTLMMH C38H66N10O13S2 934.4253 NA PeJP NA NA +PJ088118 SSDERRW C38H58N14O14 934.4257 NA PeJP NA NA +PJ088119 GGGGGAQEFR C38H58N14O14 934.4258 NA PeJP NA NA +PJ088120 PPLEMYW C46H62N8O11S 934.4259 NA PeJP NA NA +PJ088121 SPCMRRW C39H62N14O9S2 934.4266 NA PeJP NA NA +PJ088122 PDHHHHR C39H54N18O10 934.4271 NA PeJP NA NA +PJ088123 AMRWWW C47H58N12O7S 934.4273 NA PeJP NA NA +PJ088124 SSTTTLYY C42H62N8O16 934.4284 NA PeJP NA NA +PJ088125 SQEEMRR C35H62N14O14S 934.4291 NA PeJP NA NA +PJ088126 SLKMMYY C43H66N8O11S2 934.4293 NA PeJP NA NA +PJ088127 GTTERWW C43H58N12O12 934.4297 NA PeJP NA NA +PJ088128 GGSSQKWW C43H58N12O12 934.4298 NA PeJP NA NA +PJ088129 PNMMMRR C36H66N14O9S3 934.43 NA PeJP NA NA +PJ088130 NHHRWW C44H54N16O8 934.4311 NA PeJP NA NA +PJ088131 ATLLEEEM C39H66N8O16S 934.4318 NA PeJP NA NA +PJ088132 APLLEMMM C40H70N8O11S3 934.4327 NA PeJP NA NA +PJ088133 GKEEMRW C40H62N12O12S 934.4331 NA PeJP NA NA +PJ088134 GGGGGGAPKMF C40H62N12O12S 934.4332 NA PeJP NA NA +PJ088135 TKEWWW C48H58N10O10 934.4338 NA PeJP NA NA +PJ088136 AMHHHFR C41H58N16O8S 934.4345 NA PeJP NA NA +PJ088137 GSTKEEER C36H62N12O17 934.4356 NA PeJP NA NA +PJ088138 GSPKEMMR C37H66N12O12S2 934.4365 NA PeJP NA NA +PJ088139 NNNDFRR C37H58N16O13 934.437 NA PeJP NA NA +PJ088140 AVDKMWW C45H62N10O10S 934.4371 NA PeJP NA NA +PJ088141 GVKEMWW C45H62N10O10S 934.4372 NA PeJP NA NA +PJ088142 AAFFFFW C53H58N8O8 934.4378 NA PeJP NA NA +PJ088143 SKKEEEW C41H62N10O15 934.4396 NA PeJP NA NA +PJ088144 TDKKEEW C41H62N10O15 934.4397 NA PeJP NA NA +PJ088145 SDDMRRR C34H62N16O13S 934.4403 NA PeJP NA NA +PJ088146 GGGGGSTMRR C34H62N16O13S 934.4404 NA PeJP NA NA +PJ088147 PDKKMMW C42H66N10O10S2 934.4405 NA PeJP NA NA +PJ088148 GNQQFRW C42H58N14O11 934.441 NA PeJP NA NA +PJ088149 PCKFFFF C50H62N8O8S 934.4412 NA PeJP NA NA +PJ088150 AAKKEEEM C38H66N10O15S 934.443 NA PeJP NA NA +MJ098125 Antibiotic YM 47141 C46H62N8O13 934.443634 NA MeJP NA NA +PJ088151 PVLEEYW C46H62N8O13 934.4437 NA PeJP NA NA +PJ088152 GPLQKMMM C39H70N10O10S3 934.4439 NA PeJP NA NA +PJ088153 SNNKMRW C39H62N14O11S 934.4443 NA PeJP NA NA +PJ088154 GTEMRRW C39H62N14O11S 934.4444 NA PeJP NA NA +PJ088155 CLKMFFF C47H66N8O8S2 934.4445 NA PeJP NA NA +PJ088156 TTRWWW C47H58N12O9 934.445 NA PeJP NA NA +3268 NA TAQVTSTEV 934.446 celiac toxic Inhouse_peptide NA peptide +PJ088157 SSTNNKER C35H62N14O16 934.4468 NA PeJP NA NA +PJ088158 GSTTEERR C35H62N14O16 934.4469 NA PeJP NA NA +PJ088159 SPPVLEMY C43H66N8O13S 934.447 NA PeJP NA NA +PJ088160 GPLLEEMF C43H66N8O13S 934.4471 NA PeJP NA NA +PJ088161 VNEMMRR C36H66N14O11S2 934.4477 NA PeJP NA NA +PJ088162 GGGGAAKMMR C36H66N14O11S2 934.4478 NA PeJP NA NA +PJ088163 SNEHHRR C36H58N18O12 934.4482 NA PeJP NA NA +PJ088164 KEMRWW C44H62N12O9S 934.4484 NA PeJP NA NA +7460 coeliac toxic peptide LQQPQQPQFQPQQQF 934.449 MH2+ Inhouse_peptide NA peptide +PJ088165 LHFFWW C52H58N10O7 934.449 NA PeJP NA NA +PJ088166 TTTLLEEE C39H66N8O18 934.4495 NA PeJP NA NA +PJ088167 GLLLEEMM C40H70N8O13S2 934.4504 NA PeJP NA NA +PJ088168 STKEERW C40H62N12O14 934.4509 NA PeJP NA NA +PJ088169 GSSCNRRR C33H62N18O12S 934.4516 NA PeJP NA NA +PJ088170 ALQMMRW C41H66N12O9S2 934.4517 NA PeJP NA NA +PJ088171 SPKMMRW C41H66N12O9S2 934.4518 NA PeJP NA NA +PJ088172 GDKHHRW C41H58N16O10 934.4522 NA PeJP NA NA +PJ088173 VKMWWW C49H62N10O7S 934.4524 NA PeJP NA NA +PJ088174 ATTLNEMR C37H66N12O14S 934.4542 NA PeJP NA NA +PJ088175 DKKEEMR C37H66N12O14S 934.4543 NA PeJP NA NA +PJ088176 SSLKEWW C45H62N10O12 934.4549 NA PeJP NA NA +PJ088177 AAPKMMMR C38H70N12O9S3 934.4551 NA PeJP NA NA +PJ088178 VQQMHHR C38H62N16O10S 934.4556 NA PeJP NA NA +PJ088179 AAKHHWW C46H58N14O8 934.4562 NA PeJP NA NA +PJ088180 GPPHRWW C46H58N14O8 934.4563 NA PeJP NA NA +PJ088181 SSSSQQRR C34H62N16O15 934.4581 NA PeJP NA NA +PJ088182 VDKKEMW C42H66N10O12S 934.4583 NA PeJP NA NA +PJ088183 LKYYYW C50H62N8O10 934.4589 NA PeJP NA NA +PJ088184 GEMMRRR C35H66N16O10S2 934.459 NA PeJP NA NA +PJ088185 TMRRWW C43H62N14O8S 934.4596 NA PeJP NA NA +PJ088186 ATTKKEEE C38H66N10O17 934.4608 NA PeJP NA NA +PJ088187 SPTLQKMM C39H70N10O12S2 934.4616 NA PeJP NA NA +PJ088188 APTKKEMM C39H70N10O12S2 934.4617 NA PeJP NA NA +3334 human beta-casein fr, 54-61 QTQSLVYP 934.462 celiac toxic Inhouse_peptide NA peptide +PJ088189 STTERRW C39H62N14O13 934.4621 NA PeJP NA NA +PJ088190 GGGGGGGGGKKF C39H62N14O13 934.4622 NA PeJP NA NA +PJ088191 PLLEMFW C47H66N8O10S 934.4623 NA PeJP NA NA +PJ088192 GVMMRRW C40H66N14O8S2 934.463 NA PeJP NA NA +PJ088193 GSHHRRW C40H58N18O9 934.4635 NA PeJP NA NA +PJ088194 APTLLEEY C43H66N8O15 934.4648 NA PeJP NA NA +PJ088195 SKEEMRR C36H66N14O13S 934.4655 NA PeJP NA NA +PJ088196 LLLEMMW C44H70N8O10S2 934.4657 NA PeJP NA NA +PJ088197 SSTLRWW C44H62N12O11 934.4661 NA PeJP NA NA +PJ088198 GGALEFRW C44H62N12O11 934.4662 NA PeJP NA NA +PJ088199 AQMHHRR C37H62N18O9S 934.4668 NA PeJP NA NA +PJ088200 STLLLEEM C40H70N8O15S 934.4682 NA PeJP NA NA +PJ088201 SPLLLMMM C41H74N8O10S3 934.469 NA PeJP NA NA +PJ088202 SVKEMRW C41H66N12O11S 934.4695 NA PeJP NA NA +PJ088203 GPVKYWW C49H62N10O9 934.4702 NA PeJP NA NA +PJ088204 SSSLKEER C37H66N12O16 934.472 NA PeJP NA NA +PJ088205 LQKEMMR C38H70N12O11S2 934.4729 NA PeJP NA NA +PJ088206 GQQQRRY C38H62N16O12 934.4733 NA PeJP NA NA +PJ088207 GGAQQRRY C38H62N16O12 934.4734 NA PeJP NA NA +PJ088208 ATLKMWW C46H66N10O9S 934.4735 NA PeJP NA NA +PJ088209 MMRRRW C39H66N16O7S2 934.4742 NA PeJP NA NA +PJ088210 GTTTLKEW C42H66N10O14 934.476 NA PeJP NA NA +PJ088211 GGGGGLLLEY C42H66N10O14 934.4761 NA PeJP NA NA +PJ088212 STEMRRR C35H66N16O12S 934.4767 NA PeJP NA NA +PJ088213 VLQKMMW C43H70N10O9S2 934.4769 NA PeJP NA NA +MJ098126 Furost-25(27)-ene-3,12,22,26-tetrol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C45H74O20 934.477344 NA MeJP NA NA +MJ098127 Spirostane-2,3,5,9-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?3)]-?-D-glucopyranoside] C45H74O20 934.477344 NA MeJP NA NA +MJ098128 Spirostane-2,3,6-triol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] C45H74O20 934.477344 NA MeJP NA NA +PJ088214 GPTRRYW C43H62N14O10 934.4774 NA PeJP NA NA +PJ088215 ACHHRRR C36H62N20O8S 934.4781 NA PeJP NA NA +PJ088216 GTLKKEEM C39H70N10O14S 934.4794 NA PeJP NA NA +PJ088217 SVLKYYY C47H66N8O12 934.48 NA PeJP NA NA +PJ088218 VLLEEFW C47H66N8O12 934.4801 NA PeJP NA NA +PJ088219 GPLKKMMM C40H74N10O9S3 934.4803 NA PeJP NA NA +PJ088220 SSLMRRW C40H66N14O10S 934.4807 NA PeJP NA NA +PJ088221 GGTCKKRW C40H66N14O10S 934.4808 NA PeJP NA NA +PJ088222 PKRYWW C48H62N12O8 934.4814 NA PeJP NA NA +PJ088223 SSSTLERR C36H66N14O15 934.4832 NA PeJP NA NA +PJ088224 GGSSTDKKR C36H66N14O15 934.4833 NA PeJP NA NA +PJ088225 GPLLLEMY C44H70N8O12S 934.4834 NA PeJP NA NA +PJ088226 VDKMMRR C37H70N14O10S2 934.4841 NA PeJP NA NA +PJ088227 GNNRRRY C37H62N18O11 934.4846 NA PeJP NA NA +PJ088228 GCKKKWW C45H66N12O8S 934.4848 NA PeJP NA NA +PJ088229 SVLLLEMM C41H74N8O12S2 934.4868 NA PeJP NA NA +PJ088230 SSSSLLRW C41H66N12O13 934.4873 NA PeJP NA NA +PJ088231 ALKMMRW C42H70N12O8S2 934.4881 NA PeJP NA NA +PJ088232 DFRRRW C42H62N16O9 934.4886 NA PeJP NA NA +PJ088233 GTTLKEMR C38H70N12O13S 934.4906 NA PeJP NA NA +PJ088234 GGATDKKKM C38H70N12O13S 934.4907 NA PeJP NA NA +PJ088235 TTTLKWW C46H66N10O11 934.4913 NA PeJP NA NA +PJ088236 GPMRRRY C39H66N16O9S 934.492 NA PeJP NA NA +MJ098129 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Benzoyl, 3-O-[3-O-methyl-6-deoxy-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H74O17 934.4926 NA MeJP NA NA +PJ088237 SSSSQKRR C35H66N16O14 934.4945 NA PeJP NA NA +PJ088238 TLKKEMW C43H70N10O11S 934.4947 NA PeJP NA NA +PJ088239 PPLLFYW C51H66N8O9 934.4953 NA PeJP NA NA +PJ088240 SVMMRRR C36H70N16O9S2 934.4954 NA PeJP NA NA +PJ088241 SSHHRRR C36H62N20O10 934.4958 NA PeJP NA NA +PJ088242 SSSSTILLQ C39H70N10O16 934.4971 NA PeJP NA NA +PJ088243 STTLKKEE C39H70N10O16 934.4972 NA PeJP NA NA +PJ088244 GVLKKEMM C40H74N10O11S2 934.498 NA PeJP NA NA +PJ088245 GSSSKKRW C40H66N14O12 934.4985 NA PeJP NA NA +PJ088246 PLLLMYW C48H70N8O9S 934.4987 NA PeJP NA NA +PJ088247 VLHHHHR C41H62N18O8 934.4999 NA PeJP NA NA +PJ088248 GVLLLEEY C44H70N8O14 934.5012 NA PeJP NA NA +PJ088249 GTTTLMRR C37H70N14O12S 934.5019 NA PeJP NA NA +PJ088250 APLLLMMF C45H74N8O9S2 934.5021 NA PeJP NA NA +PJ088251 SPVKRYW C45H66N12O10 934.5025 NA PeJP NA NA +PJ088252 AKMHHRR C38H66N18O8S 934.5032 NA PeJP NA NA +PJ088253 ALLLLMMM C42H78N8O9S3 934.5054 NA PeJP NA NA +PJ088254 TTLKMRW C42H70N12O10S 934.5059 NA PeJP NA NA +PJ088255 GVLKFWW C50H66N10O8 934.5066 NA PeJP NA NA +PJ088256 STTTLKER C38H70N12O15 934.5084 NA PeJP NA NA +PJ088257 LKKEMMR C39H74N12O10S2 934.5093 NA PeJP NA NA +PJ088258 GVERRRY C39H66N16O11 934.5097 NA PeJP NA NA +PJ088259 GGGAAKRRY C39H66N16O11 934.5098 NA PeJP NA NA +PJ088260 PVKKMFW C47H70N10O8S 934.5099 NA PeJP NA NA +PJ088261 SSTTLLKW C43H70N10O13 934.5124 NA PeJP NA NA +PJ088262 GSTCKKRR C36H70N16O11S 934.5131 NA PeJP NA NA +PJ088263 VLKKMMW C44H74N10O8S2 934.5133 NA PeJP NA NA +MJ098130 Furostane-2,3,22,26-tetrol, 22-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside C46H78O19 934.51373 NA MeJP NA NA +MJ098131 Furostane-3,22,26-triol, 22-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside C46H78O19 934.51373 NA MeJP NA NA +MJ098132 Furostane-3,22,26-triol, 22-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C46H78O19 934.51373 NA MeJP NA NA +MJ098133 Stigmast-22-ene-3,4,6,8,15,16,29-heptol, 29-O-[3-O-Methyl-?-D-xylopyranosyl-(1?4)-3-O-methyl-?-D-xylopyranosyl-(1?4)-?-D-xylopyranoside] C46H78O19 934.51373 NA MeJP NA NA +PJ088264 AALRRYW C44H66N14O9 934.5138 NA PeJP NA NA +PJ088265 SSLLKKEM C40H74N10O13S 934.5158 NA PeJP NA NA +PJ088266 VLLLEYW C48H70N8O11 934.5164 NA PeJP NA NA +PJ088267 GPLLLEFF C48H70N8O11 934.5165 NA PeJP NA NA +PJ088268 SCKKKRW C41H70N14O9S 934.5171 NA PeJP NA NA +PJ088269 LKFRWW C49H66N12O7 934.5178 NA PeJP NA NA +CJneg0659 Androsterone glucuronide [(2M-H)]- (18O) C50H75O1518O 934.518125 C18rt(min)=8.7 Neg identified a,c Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +CJneg0659 Androsterone glucuronide [(2M-H)]- (18O) C50H75O1518O 934.518125 C18rt(min)=8.7 Neg identified a,c base_CJunot_PubAnalChem2012_NEG negative NA +PJ088270 STTTTLRR C37H70N14O14 934.5196 NA PeJP NA NA +PJ088271 SPVLLLMY C45H74N8O11S 934.5198 NA PeJP NA NA +PJ088272 TLKMMRR C38H74N14O9S2 934.5205 NA PeJP NA NA +PJ088273 ERRRRY C38H66N18O10 934.521 NA PeJP NA NA +PJ088274 TTLLLLMM C42H78N8O11S2 934.5232 NA PeJP NA NA +PJ088275 VLQKERY C42H70N12O12 934.5236 NA PeJP NA NA +PJ088276 GSTTKKKW C42H70N12O12 934.5237 NA PeJP NA NA +PJ088277 VRRRYW C43H66N16O8 934.525 NA PeJP NA NA +PJ088278 SSTLLKMR C39H74N12O12S 934.527 NA PeJP NA NA +PJ088279 PTLKKYW C47H70N10O10 934.5277 NA PeJP NA NA +PJ088280 GLMFRRR C40H70N16O8S 934.5284 NA PeJP NA NA +MJ098134 3-Hydroxy-11-oxo-12-oleanen-29-oic acid, 3-O-[6-Butyl-?-D-glucuronopyranosyl-(1?2)-6-butyl-?-D-glucuronopyranoside] C50H78O16 934.528986 NA MeJP NA NA +MJ098135 3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[6-O-Butyl-?-D-glucuronopyranosyl-(1?2)-6-O-butyl-?-D-glucuronopyranoside] C50H78O16 934.528986 NA MeJP NA NA +PJ088281 SSSSKKRR C36H70N16O13 934.5309 NA PeJP NA NA +PJ088282 GPVLKKMY C44H74N10O10S 934.5311 NA PeJP NA NA +PJ088283 PLLLFFW C52H70N8O8 934.5317 NA PeJP NA NA +PJ088284 SSSSTLLLK C40H74N10O15 934.5335 NA PeJP NA NA +PJ088285 ATLLKKMM C41H78N10O10S2 934.5344 NA PeJP NA NA +PJ088286 ALKERRY C41H70N14O11 934.5349 NA PeJP NA NA +PJ088287 LLLLMFW C49H74N8O8S 934.5351 NA PeJP NA NA +PJ088288 ATLLLLEY C45H74N8O13 934.5376 NA PeJP NA NA +PJ088289 GSTKKKMR C38H74N14O11S 934.5383 NA PeJP NA NA +PJ088290 GLLKRYW C46H70N12O9 934.5389 NA PeJP NA NA +PJ088291 SKKKKMW C43H74N12O9S 934.5423 NA PeJP NA NA +PJ088292 SSTKKKKE C39H74N12O14 934.5448 NA PeJP NA NA +PJ088293 AAKKKKMM C40H78N12O9S2 934.5457 NA PeJP NA NA +PJ088294 ATLRRRY C40H70N16O10 934.5461 NA PeJP NA NA +PJ088295 AALLKKEY C44H74N10O12 934.5488 NA PeJP NA NA +PJ088296 PVLKHRW C45H70N14O8 934.5502 NA PeJP NA NA +PJ088297 TTTLLKKM C41H78N10O12S 934.5522 NA PeJP NA NA +PJ088298 GPLLLLFY C49H74N8O10 934.5528 NA PeJP NA NA +PJ088299 VVKMFRR C42H74N14O8S 934.5535 NA PeJP NA NA +PJ088300 SSTTKKKR C38H74N14O13 934.556 NA PeJP NA NA +PJ088301 GLLLLLMY C46H78N8O10S 934.5562 NA PeJP NA NA +PJ088302 PTLHRRR C39H70N18O9 934.5574 NA PeJP NA NA +PJ088303 VLKKERY C43H74N12O11 934.56 NA PeJP NA NA +PJ088304 GGAALKKKY C43H74N12O11 934.5601 NA PeJP NA NA +PJ088305 ATTKKKKM C40H78N12O11S 934.5634 NA PeJP NA NA +PJ088306 VVLKKYW C48H74N10O9 934.5641 NA PeJP NA NA +PJ088307 GVLLKKMF C45H78N10O9S 934.5674 NA PeJP NA NA +PJ088308 SLLKRRY C42H74N14O10 934.5713 NA PeJP NA NA +PJ088309 STIIIILY C46H78N8O12 934.5739 NA PeJP NA NA +PJ088310 STLLLLLY C46H78N8O12 934.574 NA PeJP NA NA +PJ088311 AKKKKFW C47H74N12O8 934.5753 NA PeJP NA NA +PJ088312 LLKKMFR C44H78N12O8S 934.5787 NA PeJP NA NA +PJ088313 TTTTKKKK C40H78N12O13 934.5812 NA PeJP NA NA +PJ088314 GKKKRRY C41H74N16O9 934.5825 NA PeJP NA NA +PJ088315 GTLLLKKY C45H78N10O11 934.5852 NA PeJP NA NA +PJ088316 GLLLLLFF C50H78N8O9 934.5892 NA PeJP NA NA +PJ088317 VVLHRRR C40H74N18O8 934.5938 NA PeJP NA NA +PJ088318 LQKKKKY C44H78N12O10 934.5964 NA PeJP NA NA +MJ098136 Oleanolic acid bisdesmosides; Diglycosides, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester, 6'-decyl ester C52H86O14 934.601757 NA MeJP NA NA +PJ088319 APPLLLRR C43H78N14O9 934.6077 NA PeJP NA NA +PJ088320 LLLKHRR C42H78N16O8 934.6189 NA PeJP NA NA +PJ088321 TLLLLLLH C46H82N10O10 934.6216 NA PeJP NA NA +PJ088322 LKKKKKY C45H82N12O9 934.6328 NA PeJP NA NA +MJ098137 Homophleine C56H90N2O9 934.664632 NA MeJP NA NA +MJ098138 Huratoxin; 20-Tetracosanoyl C58H94O9 934.689784 NA MeJP NA NA +HMDB05458 TG(18:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C61H106O6 934.79895 http://www.hmdb.ca/metabolites/HMDB05458 HMDB NA NA +HMDB05469 TG(18:2(9Z,12Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C61H106O6 934.79895 http://www.hmdb.ca/metabolites/HMDB05469 HMDB NA NA +HMDB05458 TG(18:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C61H106O6 934.79895 HMDB05458 PFEM_hmdb_metabocards_official NA NA +HMDB05469 TG(18:2(9Z,12Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C61H106O6 934.79895 HMDB05469 PFEM_hmdb_metabocards_official NA NA +HMDB05458 TG(18:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C61H106O6 934.79895 NA HMDB2010 NA NA +HMDB05469 TG(18:2(9Z,12Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C61H106O6 934.79895 NA HMDB2010 NA NA +HMDB10467 TG(18:1(9Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso3] C61H106O6 934.79895 NA HMDB2010 NA NA +MJ098139 20(29)-Lupene-2,3,28-triol, 3,28-Dihexadecanoyl C62H110O5 934.835326 NA MeJP NA NA +PJ088323 GCCCCCDDD C29H45N9O16S5 935.1588 NA PeJP NA NA +PJ088324 SPCCCCCCD C30H49N9O13S6 935.1775 NA PeJP NA NA +PJ088325 GCCCCCCNQ C29H49N11O12S6 935.1887 NA PeJP NA NA +PJ088326 GSCCCCDDM C30H49N9O15S5 935.1952 NA PeJP NA NA +PJ088327 APCCCCCCM C31H53N9O10S7 935.1961 NA PeJP NA NA +PJ088328 SSCCCCCNN C29H49N11O14S5 935.2064 NA PeJP NA NA +PJ088329 GGGGSSCCCCC C29H49N11O14S5 935.2065 NA PeJP NA NA +PJ088330 SCCCCCEW C34H49N9O12S5 935.2105 NA PeJP NA NA +PJ088331 SSSCCCCDE C30H49N9O17S4 935.213 NA PeJP NA NA +PJ088332 CCCCNEMM C31H53N9O12S6 935.2138 NA PeJP NA NA +PJ088333 CCCCCDMR C30H53N11O11S6 935.2251 NA PeJP NA NA +PJ088334 CCCCNDEF C34H49N9O14S4 935.2282 NA PeJP NA NA +PJ088335 GCCCCMMW C35H53N9O9S6 935.2291 NA PeJP NA NA +C05265 3-Oxodecanoyl-CoA C31H52N7O18P3S 935.2302 NA KEGG NA NA +C11947 3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA C31H52N7O18P3S 935.2302 NA KEGG NA NA +HMDB03939 3-Oxodecanoyl-CoA C31H52N7O18P3S 935.23022 http://www.hmdb.ca/metabolites/HMDB03939 HMDB NA NA +HMDB04601 3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA C31H52N7O18P3S 935.23022 http://www.hmdb.ca/metabolites/HMDB04601 HMDB NA NA +HMDB03939 3-Oxodecanoyl-CoA C31H52N7O18P3S 935.23022 HMDB03939 PFEM_hmdb_metabocards_official NA NA +HMDB04601 3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA C31H52N7O18P3S 935.23022 HMDB04601 PFEM_hmdb_metabocards_official NA NA +HMDB03939 3-Oxodecanoyl-CoA C31H52N7O18P3S 935.230225 NA HMDB2010 NA NA +HMDB04601 3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA C31H52N7O18P3S 935.230225 NA HMDB2010 NA NA +PJ088336 GSSCCCDMM C31H53N9O14S5 935.2316 NA PeJP NA NA +PJ088337 CCCCCQHH C32H49N13O10S5 935.2329 NA PeJP NA NA +PJ088338 CCNDDDDH C32H45N11O18S2 935.2386 NA PeJP NA NA +PJ088339 CCCCNNNY C33H49N11O13S4 935.2394 NA PeJP NA NA +PJ088340 GGCCCCNNY C33H49N11O13S4 935.2395 NA PeJP NA NA +C11539 Cobalt-precorrin 3 C43H48CoN4O16 935.2397 NA KEGG NA NA +PJ088341 GCCCCDFW C38H49N9O11S4 935.2435 NA PeJP NA NA +FL7AACGL0057 Cyanidin 3-[6-(3-glucosylcaffeyl)glucoside]-5-glucoside C42H47O24 935.24572 - knapsack NA NA +FL7AACGL0067 Cyanidin 3-(6''-caffeylsophoroside)-5-glucoside C42H47O24 935.24572 36618-57-2<BR>164864-59-9<BR>81360-21-6 knapsack NA NA +FL7AACGL0108 Cyanidin 3,3'-di-glucoside-7-(6''-caffeoylglucoside) C42H47O24 935.24572 215176-97-9 knapsack NA NA +FL7AAGGL0040 Delphinidin 3,3'-di-glucoside-5-(6-p-coumarylglucoside) C42H47O24 935.24572 190511-78-5 knapsack NA NA +FL7AAGGL0049 Delphinidin 3-[6-(4-(caffeoylrhamnosyl)glucoside]-5-glucoside C42H47O24 935.24572 232617-19-5 knapsack NA NA +PJ088342 SCCCNDEY C34H49N9O16S3 935.246 NA PeJP NA NA +PJ088343 STCCCCMW C35H53N9O11S5 935.2468 NA PeJP NA NA +PJ088344 GGPCCCCMY C35H53N9O11S5 935.2469 NA PeJP NA NA +PJ088345 SSSSCCCEM C31H53N9O16S4 935.2493 NA PeJP NA NA +PJ088346 SCCCQMMM C32H57N9O11S6 935.2502 NA PeJP NA NA +PJ088347 GSSCCCCHH C32H49N13O12S4 935.2507 NA PeJP NA NA +PJ088348 GSPCCCDDH C33H49N11O15S3 935.2572 NA PeJP NA NA +PJ088349 APPCCCCCH C34H53N11O10S5 935.2581 NA PeJP NA NA +PJ088350 GSCCCDYW C38H49N9O13S3 935.2612 NA PeJP NA NA +PJ088351 SCCCCMMR C31H57N11O10S6 935.2615 NA PeJP NA NA +PJ088352 GSSSCCDDY C34H49N9O18S2 935.2637 NA PeJP NA NA +PJ088353 GPPCCDDDD C34H49N9O18S2 935.2638 NA PeJP NA NA +PJ088354 GCCNDMMY C35H53N9O13S4 935.2646 NA PeJP NA NA +HMDB11604 4,8-Dimethylnonanoyl-CoA C32H56N7O17P3S 935.266602 NA HMDB2010 NA NA +PJ088355 GSSSCCMMM C32H57N9O13S5 935.268 NA PeJP NA NA +MJ098140 C-Alkaloid D C40H48N4O22(+) 935.268194 NA MeJP NA NA +MJ098141 Calebassine C40H48N4O22(+) 935.268194 NA MeJP NA NA +PJ088356 CCCNNNEH C32H49N13O14S3 935.2684 NA PeJP NA NA +PJ088357 GGCCCNNEH C32H49N13O14S3 935.2685 NA PeJP NA NA +PJ088358 CCCCCKHH C33H53N13O9S5 935.2693 NA PeJP NA NA +PJ088359 NNNDDDDD C32H45N11O22 935.2741 NA PeJP NA NA +PJ088360 SCNDDDMH C33H49N11O17S2 935.275 NA PeJP NA NA +PJ088361 GCCCCERY C34H53N11O12S4 935.2758 NA PeJP NA NA +PJ088362 GGPCCCEMH C34H53N11O12S4 935.2759 NA PeJP NA NA +PJ088363 GCCNDDFY C38H49N9O15S2 935.279 NA PeJP NA NA +PJ088364 CCCQMYW C39H53N9O10S4 935.2799 NA PeJP NA NA +PJ088365 PNDDDDDM C34H49N9O20S 935.2815 NA PeJP NA NA +PJ088366 SSCCNEMY C35H53N9O15S3 935.2824 NA PeJP NA NA +PJ088367 GCCNMMMF C36H57N9O10S5 935.2832 NA PeJP NA NA +PJ088368 GCCCNNHW C36H49N13O11S3 935.2837 NA PeJP NA NA +PJ088369 DDDDMYY C39H49N7O18S 935.2855 NA PeJP NA NA +PJ088370 SSSSTCCMM C32H57N9O15S4 935.2857 NA PeJP NA NA +PJ088371 GSSCCNNDH C32H49N13O16S2 935.2862 NA PeJP NA NA +PJ088372 SCCCKMMM C33H61N9O10S6 935.2866 NA PeJP NA NA +PJ088373 PCCCCDHR C33H53N13O11S4 935.2871 NA PeJP NA NA +PJ088374 DDMMMMY C37H57N7O13S4 935.2898 NA PeJP NA NA +PJ088375 GSCCDEHW C37H49N11O14S2 935.2902 NA PeJP NA NA +PJ088376 CCCCRYW C38H53N11O9S4 935.2911 NA PeJP NA NA +PJ088377 GSSSCDDEH C33H49N11O19S 935.2927 NA PeJP NA NA +PJ088378 GGGGGSPCDDD C33H49N11O19S 935.2928 NA PeJP NA NA +PJ088379 SSCCCDRY C34H53N11O14S3 935.2936 NA PeJP NA NA +PJ088380 MMMMMMM C35H65N7O8S7 935.294 NA PeJP NA NA +PJ088381 ACCCCMFR C35H57N11O9S5 935.2945 NA PeJP NA NA +PJ088382 GSCNDDYY C38H49N9O17S 935.2967 NA PeJP NA NA +PJ088383 GPCDDDEW C38H49N9O17S 935.2968 NA PeJP NA NA +PJ088384 GSSCCMYW C39H53N9O12S3 935.2976 NA PeJP NA NA +PJ088385 GNDDEEEE C34H49N9O22 935.2993 NA PeJP NA NA +PJ088386 GSSSSCDMY C35H53N9O17S2 935.3001 NA PeJP NA NA +PJ088387 GSCNMMMY C36H57N9O12S4 935.301 NA PeJP NA NA +PJ088388 CNNNNNDE C32H49N13O18S 935.304 NA PeJP NA NA +PJ088389 DDDMMFY C40H53N7O15S2 935.3041 NA PeJP NA NA +PJ088390 GCCDDMHR C33H53N13O13S3 935.3048 NA PeJP NA NA +PJ088391 GGGGGGTCCMH C33H53N13O13S3 935.3049 NA PeJP NA NA +PJ088392 SCCDHWW C41H49N11O11S2 935.3055 NA PeJP NA NA +PJ088393 SSSCDDHW C37H49N11O16S 935.308 NA PeJP NA NA +PJ088394 DMMMMMF C38H61N7O10S5 935.3084 NA PeJP NA NA +PJ088395 CNDMMHW C38H53N11O11S3 935.3088 NA PeJP NA NA +PJ088396 GGCDMMHW C38H53N11O11S3 935.3089 NA PeJP NA NA +PJ088397 GDDDDDER C33H49N11O21 935.3105 NA PeJP NA NA +PJ088398 SSNDDMMH C34H53N11O16S2 935.3114 NA PeJP NA NA +PJ088399 PCDDDWW C42H49N9O14S 935.312 NA PeJP NA NA +PJ088400 GTCCCMRY C35H57N11O11S4 935.3122 NA PeJP NA NA +PJ088401 GCCNEHHH C35H49N15O12S2 935.3127 NA PeJP NA NA +PJ088402 CCCQFFW C43H53N9O9S3 935.3129 NA PeJP NA NA +PJ088403 NDDEEEW C38H49N9O19 935.3145 NA PeJP NA NA +PJ088404 SSSTCCYW C39H53N9O14S2 935.3154 NA PeJP NA NA +PJ088405 SCCCNNHR C32H53N15O12S3 935.3161 NA PeJP NA NA +PJ088406 CCCKMYW C40H57N9O9S4 935.3162 NA PeJP NA NA +PJ088407 PPPCCCMW C40H57N9O9S4 935.3163 NA PeJP NA NA +PJ088408 SSSSSSCEY C35H53N9O19S 935.3179 NA PeJP NA NA +PJ088409 DDDDFFY C43H49N7O17 935.3185 NA PeJP NA NA +PJ088410 SSSCQMMY C36H57N9O14S3 935.3187 NA PeJP NA NA +PJ088411 EEEMMMH C36H57N9O14S3 935.3188 NA PeJP NA NA +PJ088412 GCNNNNDW C36H49N13O15S 935.3192 NA PeJP NA NA +PJ088413 GGGGGGGGGCDW C36H49N13O15S 935.3193 NA PeJP NA NA +PJ088414 ACCCKMMF C37H61N9O9S5 935.3196 NA PeJP NA NA +PJ088415 CCCEHRW C37H53N13O10S3 935.3201 NA PeJP NA NA +PJ088416 GSSNNNNDD C32H49N13O20 935.3217 NA PeJP NA NA +PJ088417 GGGGGGGGGSSDD C32H49N13O20 935.3218 NA PeJP NA NA +PJ088418 SDEEMYY C40H53N7O17S 935.3219 NA PeJP NA NA +PJ088419 SSCCDEHR C33H53N13O15S2 935.3226 NA PeJP NA NA +PJ088420 PCEMMYY C41H57N7O12S3 935.3228 NA PeJP NA NA +PJ088421 CNDDHFW C41H49N11O13S 935.3232 NA PeJP NA NA +PJ088422 GGCDDHFW C41H49N11O13S 935.3233 NA PeJP NA NA +PJ088423 SPCCCMHR C34H57N13O10S4 935.3235 NA PeJP NA NA +PJ088424 ACCMHWW C42H53N11O8S3 935.3241 NA PeJP NA NA +PJ088425 GSNNDDEW C37H49N11O18 935.3257 NA PeJP NA NA +PJ088426 DDDDDRW C37H49N11O18 935.3258 NA PeJP NA NA +PJ088427 TEMMMMY C38H61N7O12S4 935.3261 NA PeJP NA NA +PJ088428 GSSCEMHW C38H53N11O13S2 935.3266 NA PeJP NA NA +PJ088429 CMMMHHF C39H57N11O8S4 935.3275 NA PeJP NA NA +PJ088430 CCNHHHW C39H49N15O9S2 935.328 NA PeJP NA NA +PJ088431 SPCDDDER C34H53N11O18S 935.3291 NA PeJP NA NA +PJ088432 GDDEEWW C42H49N9O16 935.3298 NA PeJP NA NA +PJ088433 SSSCCMRY C35H57N11O13S3 935.33 NA PeJP NA NA +PJ088434 SSCNDHHH C35H49N15O14S 935.3305 NA PeJP NA NA +PJ088435 GCNMYYW C43H53N9O11S2 935.3306 NA PeJP NA NA +PJ088436 GSPDDEMW C39H53N9O16S 935.3331 NA PeJP NA NA +PJ088437 GAPPCDDDF C39H53N9O16S 935.3332 NA PeJP NA NA +PJ088438 GPPCDMMW C40H57N9O11S3 935.334 NA PeJP NA NA +PJ088439 GSQEEEEE C35H53N9O21 935.3356 NA PeJP NA NA +PJ088440 GDDDKEEE C35H53N9O21 935.3357 NA PeJP NA NA +PJ088441 GSSSSSMMY C36H57N9O16S2 935.3365 NA PeJP NA NA +PJ088442 SPNDDDHH C36H49N13O17 935.337 NA PeJP NA NA +PJ088443 PCDEFYY C44H53N7O14S 935.3372 NA PeJP NA NA +PJ088444 GTCCKMMY C37H61N9O11S4 935.3374 NA PeJP NA NA +PJ088445 GCNNNMHF C37H53N13O12S2 935.3378 NA PeJP NA NA +PJ088446 GGGCNNMHF C37H53N13O12S2 935.3379 NA PeJP NA NA +PJ088447 ACNNDDER C33H53N13O17S 935.3403 NA PeJP NA NA +PJ088448 GNNDDDMR C33H53N13O17S 935.3404 NA PeJP NA NA +PJ088449 AEEMMYY C41H57N7O14S2 935.3405 NA PeJP NA NA +PJ088450 SNNDDWW C41H49N11O15 935.341 NA PeJP NA NA +PJ088451 GSCDMMHR C34H57N13O12S3 935.3412 NA PeJP NA NA +PJ088452 SSCMHWW C42H53N11O10S2 935.3419 NA PeJP NA NA +PJ088453 SSSSDMHW C38H53N11O15S 935.3444 NA PeJP NA NA +PJ088454 VMMMMMY C39H65N7O9S5 935.3448 NA PeJP NA NA +PJ088455 DDEWWW C46H49N9O13 935.345 NA PeJP NA NA +PJ088456 SNMMMHW C39H57N11O10S3 935.3452 NA PeJP NA NA +PJ088457 GGGPCMMHF C39H57N11O10S3 935.3453 NA PeJP NA NA +PJ088458 GSDDEEER C34H53N11O20 935.3469 NA PeJP NA NA +PJ088459 GPDDDMMR C35H57N11O15S2 935.3477 NA PeJP NA NA +PJ088460 GPCDEEMR C35H57N11O15S2 935.3478 NA PeJP NA NA +PJ088461 GNNNDEHH C35H49N15O16 935.3482 NA PeJP NA NA +PJ088462 SPDDMWW C43H53N9O13S 935.3484 NA PeJP NA NA +PJ088463 QQMMMMH C36H61N11O10S4 935.3486 NA PeJP NA NA +PJ088464 GSCQMHHH C36H53N15O11S2 935.3491 NA PeJP NA NA +PJ088465 CCCKFFW C44H57N9O8S3 935.3493 NA PeJP NA NA +PJ088466 SQEEEEW C39H53N9O18 935.3509 NA PeJP NA NA +PJ088467 SCNNNNDR C32H53N15O16S 935.3516 NA PeJP NA NA +PJ088468 SNQMMYY C40H57N9O13S2 935.3517 NA PeJP NA NA +PJ088469 PNEEMMW C40H57N9O13S2 935.3518 NA PeJP NA NA +PJ088470 DDEHHHF C40H49N13O14 935.3522 NA PeJP NA NA +PJ088471 GPPCCHHW C41H53N13O9S2 935.3531 NA PeJP NA NA +PJ088472 SSSSSSTMY C36H57N9O18S 935.3542 NA PeJP NA NA +PJ088473 AAQEEEEM C36H57N9O18S 935.3543 NA PeJP NA NA +PJ088474 SPDEYYY C44H53N7O16 935.3549 NA PeJP NA NA +PJ088475 SSSCKMMY C37H61N9O13S3 935.3551 NA PeJP NA NA +PJ088476 CNNDERW C37H53N13O14S 935.3556 NA PeJP NA NA +PJ088477 PPCMYYY C45H57N7O11S2 935.3558 NA PeJP NA NA +PJ088478 TCCMHRW C38H57N13O9S3 935.3565 NA PeJP NA NA +PJ088479 CEHHHHH C38H49N17O10S 935.357 NA PeJP NA NA +PJ088480 SSNNDDER C33H53N13O19 935.3581 NA PeJP NA NA +PJ088481 TTEEMYY C41H57N7O16S 935.3583 NA PeJP NA NA +PJ088482 SSSCEMHR C34H57N13O14S2 935.359 NA PeJP NA NA +PJ088483 PTMMMYY C42H61N7O11S3 935.3591 NA PeJP NA NA +PJ088484 VDMMMFY C42H61N7O11S3 935.3592 NA PeJP NA NA +PJ088485 GNNEMWW C42H53N11O12S 935.3596 NA PeJP NA NA +PJ088486 CQMMMHR C35H61N13O9S4 935.3598 NA PeJP NA NA +PJ088487 GACMMMHR C35H61N13O9S4 935.3599 NA PeJP NA NA +PJ088488 GSCCHHHR C35H53N17O10S2 935.3603 NA PeJP NA NA +PJ088489 SDDEERW C38H53N11O17 935.3621 NA PeJP NA NA +PJ088490 GGGGGGGPEEY C38H53N11O17 935.3622 NA PeJP NA NA +PJ088491 PCDEMRW C39H57N11O12S2 935.363 NA PeJP NA NA +PJ088492 NNNDHHW C39H49N15O13 935.3635 NA PeJP NA NA +PJ088493 GCNFFYW C47H53N9O10S 935.3636 NA PeJP NA NA +PJ088494 GGGCFFYW C47H53N9O10S 935.3637 NA PeJP NA NA +PJ088495 NEEEEMR C35H57N11O17S 935.3655 NA PeJP NA NA +PJ088496 ASEEEWW C43H53N9O15 935.3661 NA PeJP NA NA +PJ088497 GTEEEWW C43H53N9O15 935.3662 NA PeJP NA NA +PJ088498 SPPCDMMR C36H61N11O12S3 935.3664 NA PeJP NA NA +PJ088499 SSSNMHHH C36H53N15O13S 935.3668 NA PeJP NA NA +PJ088500 GPCDDHHR C36H53N15O13S 935.3669 NA PeJP NA NA +PJ088501 GPEMMWW C44H57N9O10S2 935.367 NA PeJP NA NA +PJ088502 VNEEEMW C40H57N9O15S 935.3695 NA PeJP NA NA +PJ088503 EEFYYW C48H53N7O13 935.3702 NA PeJP NA NA +PJ088504 GSPPMMMW C41H61N9O10S3 935.3704 NA PeJP NA NA +PJ088505 GCNDRWW C41H53N13O11S 935.3709 NA PeJP NA NA +PJ088506 CCMMHRR C34H61N15O8S4 935.3711 NA PeJP NA NA +PJ088507 GSKEEEEE C36H57N9O20 935.372 NA PeJP NA NA +PJ088508 GPDKEEMM C37H61N9O15S2 935.3729 NA PeJP NA NA +PJ088509 SSSNNNQW C37H53N13O16 935.3733 NA PeJP NA NA +PJ088510 GSSNDDRW C37H53N13O16 935.3734 NA PeJP NA NA +PJ088511 APEMYYY C45H57N7O13S 935.3735 NA PeJP NA NA +PJ088512 APPQMMMM C38H65N9O10S4 935.3738 NA PeJP NA NA +PJ088513 GSPCCQRW C38H57N13O11S2 935.3742 NA PeJP NA NA +PJ088514 GGGGACCKHF C38H57N13O11S2 935.3743 NA PeJP NA NA +PJ088515 NNMWWW C46H53N11O9S 935.3749 NA PeJP NA NA +PJ088516 DDDEMRR C34H57N13O16S 935.3767 NA PeJP NA NA +PJ088517 GGGGGSEEMR C34H57N13O16S 935.3768 NA PeJP NA NA +PJ088518 SLEMMYY C42H61N7O13S2 935.3769 NA PeJP NA NA +PJ088519 SSNQEWW C42H53N11O14 935.3774 NA PeJP NA NA +PJ088520 GSSMMMHR C35H61N13O11S3 935.3776 NA PeJP NA NA +PJ088521 VMMMMFF C43H65N7O8S4 935.3778 NA PeJP NA NA +PJ088522 PCCNKWW C43H57N11O9S2 935.3782 NA PeJP NA NA +PJ088523 GGPCCKWW C43H57N11O9S2 935.3783 NA PeJP NA NA +PJ088524 SSSTTMHW C39H57N11O14S 935.3807 NA PeJP NA NA +PJ088525 GEEEMRW C39H57N11O14S 935.3808 NA PeJP NA NA +PJ088526 TEEWWW C47H53N9O12 935.3814 NA PeJP NA NA +PJ088527 GGGCCNNRR C32H57N17O12S2 935.3815 NA PeJP NA NA +PJ088528 TCKMMHW C40H61N11O9S3 935.3816 NA PeJP NA NA +PJ088529 NNMHHHF C40H53N15O10S 935.3821 NA PeJP NA NA +PJ088530 PMMWWW C48H57N9O7S2 935.3823 NA PeJP NA NA +PJ088531 SSSSTTTEH C35H57N11O19 935.3832 NA PeJP NA NA +PJ088532 GSTEEEER C35H57N11O19 935.3833 NA PeJP NA NA +PJ088533 GSPEEMMR C36H61N11O14S2 935.3841 NA PeJP NA NA +PJ088534 GGGGGGALEMM C36H61N11O14S2 935.3842 NA PeJP NA NA +PJ088535 NDEEHHR C36H53N15O15 935.3846 NA PeJP NA NA +PJ088536 GVEEMWW C44H57N9O12S 935.3848 NA PeJP NA NA +PJ088537 APPCMMMR C37H65N11O9S4 935.385 NA PeJP NA NA +PJ088538 CCDHFRR C37H57N15O10S2 935.3855 NA PeJP NA NA +PJ088539 APCHHWW C45H53N13O8S 935.3861 NA PeJP NA NA +PJ088540 SKEEEEW C40H57N9O17 935.3873 NA PeJP NA NA +PJ088541 GSCNDERR C33H57N15O15S 935.388 NA PeJP NA NA +PJ088542 PDKEMMW C41H61N9O12S2 935.3881 NA PeJP NA NA +PJ088543 GSPVEMMW C41H61N9O12S2 935.3882 NA PeJP NA NA +PJ088544 NNNNQFW C41H53N13O13 935.3886 NA PeJP NA NA +PJ088545 GGGGGGGGGAFW C41H53N13O13 935.3887 NA PeJP NA NA +PJ088546 PPCFFYY C49H57N7O10S 935.3888 NA PeJP NA NA +PJ088547 GGGPCCMRR C34H61N15O10S3 935.3889 NA PeJP NA NA +PJ088548 GCMHFRW C42H57N13O8S2 935.3895 NA PeJP NA NA +PJ088549 PTTTQEEM C37H61N9O17S 935.3906 NA PeJP NA NA +PJ088550 AAKEEEEM C37H61N9O17S 935.3907 NA PeJP NA NA +PJ088551 GLEEYYY C45H57N7O15 935.3913 NA PeJP NA NA +PJ088552 GPLQEMMM C38H65N9O12S3 935.3915 NA PeJP NA NA +PJ088553 SNNEMRW C38H57N13O13S 935.392 NA PeJP NA NA +PJ088554 PCLMFYY C46H61N7O10S2 935.3922 NA PeJP NA NA +PJ088555 GSSQWWW C46H53N11O11 935.3926 NA PeJP NA NA +PJ088556 GGGGGPYWW C46H53N11O11 935.3927 NA PeJP NA NA +PJ088557 LMMMHHH C39H61N13O8S3 935.3929 NA PeJP NA NA +PJ088558 TMHHHHH C39H53N17O9S 935.3933 NA PeJP NA NA +PJ088559 SSSNQEER C34H57N13O18 935.3945 NA PeJP NA NA +PJ088560 SSSTMMHR C35H61N13O13S2 935.3953 NA PeJP NA NA +PJ088561 NQQEMMR C35H61N13O13S2 935.3954 NA PeJP NA NA +PJ088562 VVMMMYY C43H65N7O10S3 935.3955 NA PeJP NA NA +PJ088563 GSNNDHHR C35H53N17O14 935.3958 NA PeJP NA NA +PJ088564 GGGGGSDHHR C35H53N17O14 935.3959 NA PeJP NA NA +PJ088565 EEMRWW C43H57N11O11S 935.396 NA PeJP NA NA +PJ088566 CKMMMHR C36H65N13O8S4 935.3962 NA PeJP NA NA +PJ088567 PDFWWW C51H53N9O9 935.3967 NA PeJP NA NA +PJ088568 STEEERW C39H57N11O16 935.3985 NA PeJP NA NA +PJ088569 SPEMMRW C40H61N11O11S2 935.3994 NA PeJP NA NA +PJ088570 SNQQHHW C40H53N15O12 935.3998 NA PeJP NA NA +PJ088571 GDEHHRW C40H53N15O12 935.3999 NA PeJP NA NA +PJ088572 VEMWWW C48H57N9O9S 935.4 NA PeJP NA NA +PJ088573 DKEEEMR C36H61N11O16S 935.4019 NA PeJP NA NA +PJ088574 SSLEEWW C44H57N9O14 935.4025 NA PeJP NA NA +PJ088575 AAPEMMMR C37H65N11O11S3 935.4028 NA PeJP NA NA +PJ088576 SCNDRRW C37H57N15O12S 935.4032 NA PeJP NA NA +PJ088577 GGGGGGGLMHH C37H57N15O12S 935.4033 NA PeJP NA NA +PJ088578 SPVMMWW C45H61N9O9S2 935.4034 NA PeJP NA NA +PJ088579 AAEHHWW C45H53N13O10 935.4039 NA PeJP NA NA +PJ088580 SSSNDDRR C33H57N15O17 935.4057 NA PeJP NA NA +PJ088581 VDKEEMW C41H61N9O14S 935.4059 NA PeJP NA NA +PJ088582 LEYYYW C49H57N7O12 935.4065 NA PeJP NA NA +PJ088583 APEFFYY C49H57N7O12 935.4066 NA PeJP NA NA +PJ088584 PLQMMMW C42H65N9O9S3 935.4068 NA PeJP NA NA +PJ088585 GSNMRWW C42H57N13O10S 935.4072 NA PeJP NA NA +PJ088586 GGGSMRWW C42H57N13O10S 935.4073 NA PeJP NA NA +PJ088587 NHFFWW C50H53N11O8 935.4079 NA PeJP NA NA +PJ088588 ATTKEEEE C37H61N9O19 935.4084 NA PeJP NA NA +PJ088589 APTKEEMM C38H65N9O14S2 935.4093 NA PeJP NA NA +PJ088590 GSSSQERW C38H57N13O15 935.4097 NA PeJP NA NA +PJ088591 GGGSSTERW C38H57N13O15 935.4098 NA PeJP NA NA +PJ088592 SPLMYYY C46H61N7O12S 935.4099 NA PeJP NA NA +PJ088593 APPKMMMM C39H69N9O9S4 935.4102 NA PeJP NA NA +PJ088594 GQQMMRW C39H61N13O10S2 935.4106 NA PeJP NA NA +PJ088595 GSPQHHHH C39H53N17O11 935.4111 NA PeJP NA NA +PJ088596 CQKWWW C47H57N11O8S 935.4113 NA PeJP NA NA +PJ088597 SEEEMRR C35H61N13O15S 935.4131 NA PeJP NA NA +PJ088598 SSNKEWW C43H57N11O13 935.4138 NA PeJP NA NA +PJ088599 PDMMMRR C36H65N13O10S3 935.414 NA PeJP NA NA +PJ088600 CQQQHHR C36H57N17O11S 935.4144 NA PeJP NA NA +PJ088601 NNQMHHR C36H57N17O11S 935.4145 NA PeJP NA NA +PJ088602 PPCMFRW C44H61N11O8S2 935.4146 NA PeJP NA NA +PJ088603 DHHRWW C44H53N15O9 935.4151 NA PeJP NA NA +PJ088604 SVEEMRW C40H61N11O13S 935.4171 NA PeJP NA NA +PJ088605 GGGATKEMW C40H61N11O13S 935.4172 NA PeJP NA NA +PJ088606 GPVEYWW C48H57N9O11 935.4178 NA PeJP NA NA +PJ088607 PCLMMRW C41H65N11O8S3 935.418 NA PeJP NA NA +PJ088608 PTCHHRW C41H57N15O9S 935.4185 NA PeJP NA NA +PJ088609 SSSLEEER C36H61N11O18 935.4196 NA PeJP NA NA +PJ088610 GGSSDKKEE C36H61N11O18 935.4197 NA PeJP NA NA +PJ088611 LQEEMMR C37H65N11O13S2 935.4205 NA PeJP NA NA +PJ088612 NNNQQRY C37H57N15O14 935.421 NA PeJP NA NA +PJ088613 ANKMFYY C45H61N9O11S 935.4211 NA PeJP NA NA +PJ088614 ATLEMWW C45H61N9O11S 935.4212 NA PeJP NA NA +PJ088615 KKMMMMH C38H69N11O8S4 935.4214 NA PeJP NA NA +PJ088616 ACNMRRW C38H61N15O9S2 935.4218 NA PeJP NA NA +PJ088617 GCQMRRW C38H61N15O9S2 935.4219 NA PeJP NA NA +PJ088618 SSSTTKYY C41H61N9O16 935.4236 NA PeJP NA NA +PJ088619 GTTTLEEW C41H61N9O16 935.4237 NA PeJP NA NA +PJ088620 ASSCQERR C34H61N15O14S 935.4243 NA PeJP NA NA +PJ088621 GSSNEMRR C34H61N15O14S 935.4244 NA PeJP NA NA +PJ088622 VLQEMMW C42H65N9O11S2 935.4245 NA PeJP NA NA +PJ088623 SSSQRWW C42H57N13O12 935.425 NA PeJP NA NA +PJ088624 PCLFFFY C50H61N7O9S 935.4252 NA PeJP NA NA +PJ088625 CNNHHRR C35H57N19O10S 935.4257 NA PeJP NA NA +PJ088626 GTLKEEEM C38H65N9O16S 935.427 NA PeJP NA NA +PJ088627 SVLEYYY C46H61N7O14 935.4277 NA PeJP NA NA +PJ088628 GPLKEMMM C39H69N9O11S3 935.4279 NA PeJP NA NA +PJ088629 SNDKMRW C39H61N13O12S 935.4284 NA PeJP NA NA +PJ088630 VVMMFFY C47H65N7O9S2 935.4286 NA PeJP NA NA +PJ088631 GSSKWWW C47H57N11O10 935.429 NA PeJP NA NA +PJ088632 SSSNKEER C35H61N13O17 935.4309 NA PeJP NA NA +PJ088633 CLEEMRR C36H65N13O12S2 935.4317 NA PeJP NA NA +PJ088634 VDEMMRR C36H65N13O12S2 935.4318 NA PeJP NA NA +PJ088635 SDEHHRR C36H57N17O13 935.4322 NA PeJP NA NA +PJ088636 GGGGGGGGAPHR C36H57N17O13 935.4323 NA PeJP NA NA +PJ088637 GTQKMWW C44H61N11O10S 935.4324 NA PeJP NA NA +PJ088638 PVYWWW C52H57N9O8 935.433 NA PeJP NA NA +PJ088639 GPPFFWW C52H57N9O8 935.4331 NA PeJP NA NA +PJ088640 GSSDKKEW C40H61N11O15 935.4349 NA PeJP NA NA +PJ088641 GSSCDRRR C33H61N17O13S 935.4356 NA PeJP NA NA +PJ088642 ALEMMRW C41H65N11O10S2 935.4358 NA PeJP NA NA +PJ088643 ATEHHRW C41H57N15O11 935.4362 NA PeJP NA NA +PJ088644 GGGGTKHHW C41H57N15O11 935.4363 NA PeJP NA NA +PJ088645 GPLMFWW C49H61N9O8S 935.4364 NA PeJP NA NA +PJ088646 GTTLEEMR C37H65N11O15S 935.4383 NA PeJP NA NA +PJ088647 TTTLEWW C45H61N9O13 935.4389 NA PeJP NA NA +PJ088648 GPTLMMMR C38H69N11O10S3 935.4391 NA PeJP NA NA +PJ088649 GGGPKKMMM C38H69N11O10S3 935.4392 NA PeJP NA NA +PJ088650 SSNMRRW C38H61N15O11S 935.4396 NA PeJP NA NA +PJ088651 GLLMMWW C46H65N9O8S2 935.4398 NA PeJP NA NA +MJ098142 Hydra RFamides; Hydra RFamide II C46H57N13O9 935.44022 NA MeJP NA NA +PJ088652 NQFRWW C46H57N13O9 935.4403 NA PeJP NA NA +PJ088653 SSSSQERR C34H61N15O16 935.4421 NA PeJP NA NA +PJ088654 TLKEEMW C42H65N9O13S 935.4423 NA PeJP NA NA +PJ088655 APLFYYY C50H61N7O11 935.4429 NA PeJP NA NA +PJ088656 SQQMMRR C35H65N15O11S2 935.443 NA PeJP NA NA +PJ088657 PLKMMMW C43H69N9O8S3 935.4432 NA PeJP NA NA +PJ088658 GTCKRWW C43H61N13O9S 935.4436 NA PeJP NA NA +PJ088659 STTLKEEE C38H65N9O18 935.4448 NA PeJP NA NA +PJ088660 GVLKEEMM C39H69N9O13S2 935.4457 NA PeJP NA NA +PJ088661 GSSSKERW C39H61N13O14 935.4461 NA PeJP NA NA +PJ088662 GGGGGALERY C39H61N13O14 935.4462 NA PeJP NA NA +PJ088663 ALLMYYY C47H65N7O11S 935.4463 NA PeJP NA NA +PJ088664 GQKMMRW C40H65N13O9S2 935.447 NA PeJP NA NA +PJ088665 GSPKHHHH C40H57N17O10 935.4475 NA PeJP NA NA +PJ088666 CKKWWW C48H61N11O7S 935.4477 NA PeJP NA NA +PJ088667 GSTQKEMR C36H65N13O14S 935.4495 NA PeJP NA NA +PJ088668 SSDKKWW C44H61N11O12 935.4501 NA PeJP NA NA +PJ088669 GGTTTKWW C44H61N11O12 935.4502 NA PeJP NA NA +PJ088670 APCCKKMR C37H69N13O9S3 935.4504 NA PeJP NA NA +PJ088671 AEMHHRR C37H61N17O10S 935.4508 NA PeJP NA NA +PJ088672 VCEHHRR C37H61N17O10S 935.4509 NA PeJP NA NA +PJ088673 GPHHFRW C45H57N15O8 935.4515 NA PeJP NA NA +PJ088674 TTLEMRW C41H65N11O12S 935.4535 NA PeJP NA NA +PJ088675 GGGGGGALLMF C41H65N11O12S 935.4536 NA PeJP NA NA +PJ088676 APTLYWW C49H61N9O10 935.4542 NA PeJP NA NA +PJ088677 GLMHHRW C42H61N15O8S 935.4549 NA PeJP NA NA +PJ088678 STTTLEER C37H65N11O17 935.456 NA PeJP NA NA +PJ088679 LKEEMMR C38H69N11O12S2 935.4569 NA PeJP NA NA +PJ088680 NNNQKRY C38H61N15O13 935.4573 NA PeJP NA NA +PJ088681 GSSSTRRW C38H61N15O13 935.4574 NA PeJP NA NA +PJ088682 STLLMWW C46H65N9O10S 935.4575 NA PeJP NA NA +PJ088683 GGPLLMYW C46H65N9O10S 935.4576 NA PeJP NA NA +PJ088684 GCKMRRW C39H65N15O8S2 935.4582 NA PeJP NA NA +PJ088685 VNHHHHR C39H57N19O9 935.4587 NA PeJP NA NA +PJ088686 SSTTLLEW C42H65N9O15 935.46 NA PeJP NA NA +PJ088687 GPTLKEEY C42H65N9O15 935.4601 NA PeJP NA NA +PJ088688 GSSDKMRR C35H65N15O13S 935.4607 NA PeJP NA NA +PJ088689 GGGGSSCKKR C35H65N15O13S 935.4608 NA PeJP NA NA +PJ088690 VLKEMMW C43H69N9O10S2 935.4609 NA PeJP NA NA +PJ088691 SSSKRWW C43H61N13O11 935.4614 NA PeJP NA NA +PJ088692 VVMFFFF C51H65N7O8S 935.4616 NA PeJP NA NA +PJ088693 SSLLKEEM C39H69N9O15S 935.4634 NA PeJP NA NA +PJ088694 TTLLYYY C47H65N7O13 935.4641 NA PeJP NA NA +PJ088695 SPVLKMMM C40H73N9O10S3 935.4643 NA PeJP NA NA +PJ088696 STQKMRW C40H65N13O11S 935.4647 NA PeJP NA NA +PJ088697 TTNKMRW C40H65N13O11S 935.4648 NA PeJP NA NA +PJ088698 LEFRWW C48H61N11O9 935.4654 NA PeJP NA NA +PJ088699 SCCRRRR C33H65N19O9S2 935.4655 NA PeJP NA NA +PJ088700 SSSSSPTKR C36H65N13O16 935.4672 NA PeJP NA NA +PJ088701 SSSDKKER C36H65N13O16 935.4673 NA PeJP NA NA +PJ088702 TLEMMRR C37H69N13O11S2 935.4681 NA PeJP NA NA +PJ088703 GGGGACKKKM C37H69N13O11S2 935.4682 NA PeJP NA NA +PJ088704 GNDRRRY C37H61N17O12 935.4686 NA PeJP NA NA +PJ088705 GTKKMWW C45H65N11O9S 935.4688 NA PeJP NA NA +PJ088706 VLFWWW C53H61N9O7 935.4694 NA PeJP NA NA +PJ088707 GHHHHRR C38H57N21O8 935.47 NA PeJP NA NA +PJ088708 GSTTKKEW C41H65N11O14 935.4713 NA PeJP NA NA +PJ088709 GSSSMRRR C34H65N17O12S 935.472 NA PeJP NA NA +PJ088710 SLLMMRW C42H69N11O9S2 935.4721 NA PeJP NA NA +PJ088711 GGVKKMMW C42H69N11O9S2 935.4722 NA PeJP NA NA +PJ088712 QQRRYW C42H61N15O10 935.4726 NA PeJP NA NA +PJ088713 SSTLLEMR C38H69N11O14S 935.4746 NA PeJP NA NA +PJ088714 SSTILEMR C38H69N11O14S 935.4747 NA PeJP NA NA +PJ088715 PTLKEYW C46H65N9O12 935.4753 NA PeJP NA NA +PJ088716 AALLMMMR C39H73N11O9S3 935.4755 NA PeJP NA NA +PJ088717 STCKRRW C39H65N15O10S 935.476 NA PeJP NA NA +PJ088718 NKFRWW C47H61N13O8 935.4766 NA PeJP NA NA +PJ088719 GGKFRWW C47H61N13O8 935.4767 NA PeJP NA NA +PJ088720 SSSSKERR C35H65N15O15 935.4785 NA PeJP NA NA +PJ088721 SSSLLLMW C43H69N9O12S 935.4787 NA PeJP NA NA +PJ088722 ALLFFYY C51H65N7O10 935.4793 NA PeJP NA NA +PJ088723 SQKMMRR C36H69N15O10S2 935.4794 NA PeJP NA NA +PJ088724 PPLMHRW C44H65N13O8S 935.48 NA PeJP NA NA +PJ088725 SSSSTLLLE C39H69N9O17 935.4812 NA PeJP NA NA +PJ088726 STLLLQMM C40H73N9O12S2 935.482 NA PeJP NA NA +PJ088727 ATLLKEMM C40H73N9O12S2 935.4821 NA PeJP NA NA +PJ088728 GSTTTKRW C40H65N13O13 935.4825 NA PeJP NA NA +PJ088729 GGGGGGGPPPVK C40H65N13O13 935.4826 NA PeJP NA NA +PJ088730 GKKMMRW C41H69N13O8S2 935.4834 NA PeJP NA NA +PJ088731 GPQHRRW C41H61N17O9 935.4839 NA PeJP NA NA +PJ088732 GSTKKEMR C37H69N13O13S 935.4859 NA PeJP NA NA +PJ088733 STTKKWW C45H65N11O11 935.4865 NA PeJP NA NA +PJ088734 GGGGVLKYW C45H65N11O11 935.4866 NA PeJP NA NA +PJ088735 VLMMMRR C38H73N13O8S3 935.4868 NA PeJP NA NA +PJ088736 GNMFRRR C38H65N17O9S 935.4872 NA PeJP NA NA +PJ088737 SSSSTRRR C34H65N17O14 935.4897 NA PeJP NA NA +PJ088738 SKKKEMW C42H69N11O11S 935.4899 NA PeJP NA NA +PJ088739 GVLLYWW C50H65N9O9 935.4906 NA PeJP NA NA +PJ088740 SSTKKKEE C38H69N11O16 935.4924 NA PeJP NA NA +PJ088741 ATTLLMMR C39H73N11O11S2 935.4933 NA PeJP NA NA +PJ088742 ANKERRY C39H65N15O12 935.4937 NA PeJP NA NA +PJ088743 GQKERRY C39H65N15O12 935.4938 NA PeJP NA NA +PJ088744 PVLKMYW C47H69N9O9S 935.4939 NA PeJP NA NA +PJ088745 PPHHHRR C40H61N19O8 935.4951 NA PeJP NA NA +PJ088746 TTTTTLLW C43H69N9O14 935.4964 NA PeJP NA NA +PJ088747 AAPPPILEE C43H69N9O14 935.4965 NA PeJP NA NA +3475 alpha amylase ligand from Hordeum vulgare TRWLVYFSRPYLVAT 935.497 MH2+ Inhouse_peptide NA peptide +PJ088748 GSTTKMRR C36H69N15O12S 935.4971 NA PeJP NA NA +PJ088749 GPLLKMMF C44H73N9O9S2 935.4973 NA PeJP NA NA +PJ088750 GVQKRYW C44H65N13O10 935.4978 NA PeJP NA NA +PJ088751 TTTLLKEM C40H73N9O14S 935.4998 NA PeJP NA NA +PJ088752 GLLLKMMM C41H77N9O9S3 935.5007 NA PeJP NA NA +PJ088753 STKKMRW C41H69N13O10S 935.5011 NA PeJP NA NA +PJ088754 GGPKKMRY C41H69N13O10S 935.5012 NA PeJP NA NA +PJ088755 LLRYWW C49H65N11O8 935.5018 NA PeJP NA NA +PJ088756 SSTTKKER C37H69N13O15 935.5036 NA PeJP NA NA +PJ088757 GGGSSSTKKK C37H69N13O15 935.5037 NA PeJP NA NA +PJ088758 DKKKMMR C38H73N13O10S2 935.5045 NA PeJP NA NA +PJ088759 GTQRRRY C38H65N17O11 935.505 NA PeJP NA NA +PJ088760 ALLMFRW C46H69N11O8S 935.5052 NA PeJP NA NA +PJ088761 SSSTLKKW C42H69N11O13 935.5077 NA PeJP NA NA +PJ088762 CLKKKMW C43H73N11O8S2 935.5085 NA PeJP NA NA +PJ088763 QKRRYW C43H65N15O9 935.509 NA PeJP NA NA +PJ088764 TTTTLLMR C39H73N11O13S 935.511 NA PeJP NA NA +PJ088765 VVLKEYW C47H69N9O11 935.5117 NA PeJP NA NA +PJ088766 AQKMFRR C40H69N15O9S 935.5124 NA PeJP NA NA +PJ088767 SSTTTKRR C36H69N15O14 935.5149 NA PeJP NA NA +PJ088768 APTLLKMY C44H73N9O11S 935.5151 NA PeJP NA NA +PJ088769 SKKMMRR C37H73N15O9S2 935.5157 NA PeJP NA NA +PJ088770 SPQHRRR C37H65N19O10 935.5162 NA PeJP NA NA +PJ088771 SSTTTTILL C40H73N9O16 935.5175 NA PeJP NA NA +PJ088772 SSTTTTLLL C40H73N9O16 935.5176 NA PeJP NA NA +PJ088773 STLLLKMM C41H77N9O11S2 935.5184 NA PeJP NA NA +PJ088774 SLLERRY C41H69N13O12 935.5189 NA PeJP NA NA +PJ088775 GPKHRRW C42H65N17O8 935.5203 NA PeJP NA NA +PJ088776 SSSLKKMR C38H73N13O12S 935.5223 NA PeJP NA NA +PJ088777 SVLLRYW C46H69N11O10 935.5229 NA PeJP NA NA +PJ088778 ACKFRRR C39H69N17O8S 935.5236 NA PeJP NA NA +PJ088779 LLLQMRY C43H73N11O10S 935.5263 NA PeJP NA NA +PJ088780 PVLKFFW C51H69N9O8 935.527 NA PeJP NA NA +PJ088781 TTTTKKKE C39H73N11O15 935.5288 NA PeJP NA NA +PJ088782 GTLKKKMM C40H77N11O10S2 935.5297 NA PeJP NA NA +PJ088783 GKKERRY C40H69N15O11 935.5301 NA PeJP NA NA +PJ088784 GPPPKERR C40H69N15O11 935.5302 NA PeJP NA NA +PJ088785 VLLKMFW C48H73N9O8S 935.5303 NA PeJP NA NA +PJ088786 GTLLLKEY C44H73N9O13 935.5328 NA PeJP NA NA +PJ088787 GVKKRYW C45H69N13O9 935.5342 NA PeJP NA NA +PJ088788 VVLMRRY C42H73N13O9S 935.5375 NA PeJP NA NA +PJ088789 TTTTTKKR C38H73N13O14 935.54 NA PeJP NA NA +PJ088790 ACCKKKKK C39H77N13O9S2 935.5409 NA PeJP NA NA +PJ088791 GTKRRRY C39H69N17O10 935.5414 NA PeJP NA NA +PJ088792 LQKKKEY C43H73N11O12 935.544 NA PeJP NA NA +PJ088793 GTTLLLRY C43H73N11O12 935.5441 NA PeJP NA NA +PJ088794 KKRRYW C44H69N15O8 935.5454 NA PeJP NA NA +PJ088795 STTLKKKM C40H77N11O12S 935.5474 NA PeJP NA NA +PJ088796 TLLLKYW C48H73N9O10 935.5481 NA PeJP NA NA +PJ088797 AKKMFRR C41H73N15O8S 935.5488 NA PeJP NA NA +PJ088798 GVLLLKMY C45H77N9O10S 935.5515 NA PeJP NA NA +PJ088799 SPKHRRR C38H69N19O9 935.5526 NA PeJP NA NA +PJ088800 VDKKKRY C42H73N13O11 935.5553 NA PeJP NA NA +PJ088801 SSCKKKKK C39H77N13O11S 935.5587 NA PeJP NA NA +PJ088802 ALKKKYW C47H73N11O9 935.5593 NA PeJP NA NA +PJ088803 LLLKMRY C44H77N11O9S 935.5627 NA PeJP NA NA +PJ088804 GVHRRRR C37H69N21O8 935.5639 NA PeJP NA NA +PJ088805 SVKKRRY C41H73N15O10 935.5665 NA PeJP NA NA +PJ088806 SSLLLLKY C45H77N9O12 935.5692 NA PeJP NA NA +PJ088807 VLLLHRW C46H73N13O8 935.5706 NA PeJP NA NA +PJ088808 VKKKMFR C43H77N13O8S 935.5739 NA PeJP NA NA +PJ088809 HRRRRR C36H69N23O7 935.5751 NA PeJP NA NA +PJ088810 AAPPLRRR C40H73N17O9 935.5778 NA PeJP NA NA +PJ088811 LKKKKEY C44H77N11O11 935.5804 NA PeJP NA NA +PJ088812 PPVLLLER C44H77N11O11 935.5805 NA PeJP NA NA +PJ088813 PPVVLLLW C49H77N9O9 935.5845 NA PeJP NA NA +PJ088814 PPVRRRR C39H73N19O8 935.589 NA PeJP NA NA +PJ088815 TLKKKRY C43H77N13O10 935.5917 NA PeJP NA NA +PJ088816 LLLKFFR C48H77N11O8 935.5957 NA PeJP NA NA +3232 bombolitin IV from venom of bumble bee (Megabombus INIKDILAKLVKVLGHV~ 935.5959 MH2+ Inhouse_peptide NA peptide +PJ088817 GPPLLKRR C42H77N15O9 935.6029 NA PeJP NA NA +PJ088818 GPPTLLLLL C46H81N9O11 935.6056 NA PeJP NA NA +PJ088819 VLKKHRR C41H77N17O8 935.6141 NA PeJP NA NA +PJ088820 SLLLLLKH C45H81N11O10 935.6168 NA PeJP NA NA +PJ088821 PPVVLKKR C44H81N13O9 935.6281 NA PeJP NA NA +PJ088822 AAPLLLLLL C47H85N9O10 935.642 NA PeJP NA NA +PJ088823 PVLLLLLR C46H85N11O9 935.6532 NA PeJP NA NA +MJ098143 Bastadin 13 C34H28Br4N4O8 935.864064 NA MeJP NA NA +MJ098144 Bastadin 16; 11,30-Bisdebromo, 16-bromo C34H28Br4N4O8 935.864064 NA MeJP NA NA +MJ098145 Bastadin 4; 16-Debromo, 5,6-dihydro C34H28Br4N4O8 935.864064 NA MeJP NA NA +MJ098146 1,2:4,6-Bis(hexahydroxydiphenoyl)glucose; (S)axial-?-D-pyranose-form, 3-O-(3,4,5-Trihydroxybenzoyl) C41H28O26 936.086881 NA MeJP NA NA +MJ098147 2,3:4,6-Bis(hexahydroxydiphenoyl)glucose; (2,3-R:4,6-S)axial-?-D-pyranose-form, 1-O-(3,4,5-Trihydroxybenzoyl) C41H28O26 936.086881 NA MeJP NA NA +MJ098148 2,3:4,6-Bis(hexahydroxydiphenoyl)glucose; (S,S)axial-?-D-pyranose-form, 1-O-(3,4,5-Trihydroxybenzoyl) C41H28O26 936.086881 NA MeJP NA NA +MJ098149 2,3:4,6-Bis(hexahydroxydiphenoyl)glucose; (S,S)axial-?-D-pyranose-form, 1-O-(3,4,5-Trihydroxybenzoyl) C41H28O26 936.086881 NA MeJP NA NA +MJ098150 Bixanin C41H28O26 936.086881 NA MeJP NA NA +MJ098151 Casuarinin C41H28O26 936.086881 NA MeJP NA NA +MJ098152 Liquidambin C41H28O26 936.086881 NA MeJP NA NA +MJ098153 Pedunculagin; 1-O-(3,4,5-Trihydroxybenzoyl) (1?-) C41H28O26 936.086881 NA MeJP NA NA +C10212 Casuarictin C41H28O26 936.0869 NA KEGG NA NA +C10213 Casuarinin C41H28O26 936.0869 NA KEGG NA NA +MJ098154 3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 2'',3''-Bis-O-(3,4,5-trihydroxybenzoyl) 4'',6''-O-(S)-hexahydroxydiphenoyl C42H32O25 936.123266 NA MeJP NA NA +PJ088824 GCCCCCCNE C29H48N10O13S6 936.1727 NA PeJP NA NA +PJ088825 CCCCCCNW C33H48N10O10S6 936.188 NA PeJP NA NA +PJ088826 SSCCCCCND C29H48N10O15S5 936.1905 NA PeJP NA NA +PJ088827 CCCCDEMM C31H52N8O13S6 936.1979 NA PeJP NA NA +PJ088828 GSCCCCCQM C30H52N10O12S6 936.2091 NA PeJP NA NA +PJ088829 CCCCDDEF C34H48N8O15S4 936.2122 NA PeJP NA NA +PJ088830 CCCCCEHH C32H48N12O11S5 936.217 NA PeJP NA NA +PJ088831 GSCCCCCCR C29H52N12O11S6 936.2203 NA PeJP NA NA +PJ088832 CCDDDDDH C32H44N10O19S2 936.2226 NA PeJP NA NA +PJ088833 CCCCNNDY C33H48N10O14S4 936.2235 NA PeJP NA NA +PJ088834 SSSCCCCNM C30H52N10O14S5 936.2268 NA PeJP NA NA +PJ088835 SCCCDDEY C34H48N8O17S3 936.23 NA PeJP NA NA +PJ088836 PCCCCDMY C35H52N8O12S5 936.2309 NA PeJP NA NA +PJ088837 SCCCEMMM C32H56N8O12S6 936.2342 NA PeJP NA NA +PJ088838 CCCCNNMF C34H52N10O11S5 936.2421 NA PeJP NA NA +PJ088839 GSSSSTCCCC C30H52N10O16S4 936.2446 NA PeJP NA NA +PJ088840 GSCCCCCKM C31H56N10O11S6 936.2455 NA PeJP NA NA +PJ088841 GCCDDMMY C35H52N8O14S4 936.2486 NA PeJP NA NA +PJ088842 PCCCCMMF C36H56N8O9S6 936.2495 NA PeJP NA NA +PJ088843 CCCNNDEH C32H48N12O15S3 936.2525 NA PeJP NA NA +PJ088844 GCCMMMMM C33H60N8O9S7 936.2529 NA PeJP NA NA +PJ088845 TCCCCMHH C33H52N12O10S5 936.2533 NA PeJP NA NA +PJ088846 NNDDDDDD C32H44N10O23 936.2581 NA PeJP NA NA +PJ088847 SCDDDDMH C33H48N10O18S2 936.259 NA PeJP NA NA +PJ088848 SCCCNNMY C34H52N10O13S4 936.2598 NA PeJP NA NA +PJ088849 GGSCCCNMY C34H52N10O13S4 936.2599 NA PeJP NA NA +PJ088850 SSSSSSSCCC C30H52N10O18S3 936.2623 NA PeJP NA NA +PJ088851 GCCDDDFY C38H48N8O16S2 936.263 NA PeJP NA NA +PJ088852 SSTCCCCCK C31H56N10O13S5 936.2632 NA PeJP NA NA +PJ088853 CCCEMYW C39H52N8O11S4 936.2639 NA PeJP NA NA +PJ088854 PDDDDDDM C34H48N8O21S 936.2655 NA PeJP NA NA +PJ088855 SSCCDEMY C35H52N8O16S3 936.2664 NA PeJP NA NA +PJ088856 SPCCCMMY C36H56N8O11S5 936.2672 NA PeJP NA NA +PJ088857 GCCDMMMF C36H56N8O11S5 936.2673 NA PeJP NA NA +PJ088858 GCCCNDHW C36H48N12O12S3 936.2677 NA PeJP NA NA +PJ088859 GSSCCNDDH C32H48N12O17S2 936.2702 NA PeJP NA NA +PJ088860 STCCMMMM C33H60N8O11S6 936.2706 NA PeJP NA NA +PJ088861 GSPCCCCQH C33H52N12O12S4 936.2711 NA PeJP NA NA +PJ088862 GSPCNDDDD C33H48N10O20S 936.2768 NA PeJP NA NA +PJ088863 GSSSCCCQY C34H52N10O15S3 936.2776 NA PeJP NA NA +PJ088864 CCCCCQKF C35H56N10O10S5 936.2785 NA PeJP NA NA +PJ088865 GSCDDDYY C38H48N8O18S 936.2808 NA PeJP NA NA +PJ088866 GPCCCEYY C39H52N8O13S3 936.2816 NA PeJP NA NA +PJ088867 GDDDEEEE C34H48N8O23 936.2833 NA PeJP NA NA +PJ088868 GSCDMMMY C36H56N8O13S4 936.285 NA PeJP NA NA +PJ088869 GCCCMHHF C37H52N12O9S4 936.2864 NA PeJP NA NA +PJ088870 CNNNNDDE C32H48N12O19S 936.288 NA PeJP NA NA +PJ088871 SCCNNEMH C33H52N12O14S3 936.2888 NA PeJP NA NA +PJ088872 GGSCCNEMH C33H52N12O14S3 936.2889 NA PeJP NA NA +PJ088873 GCDDDEHF C37H48N10O17S 936.292 NA PeJP NA NA +PJ088874 CDDMMHW C38H52N10O12S3 936.2929 NA PeJP NA NA +PJ088875 SNNDDDEE C33H48N10O22 936.2945 NA PeJP NA NA +PJ088876 SSSSSCCNY C34H52N10O17S2 936.2954 NA PeJP NA NA +PJ088877 SCCCCQKY C35H56N10O12S4 936.2962 NA PeJP NA NA +PJ088878 GGPPPTCCCC C35H56N10O12S4 936.2963 NA PeJP NA NA +PJ088879 GCCDEHHH C35H48N14O13S2 936.2967 NA PeJP NA NA +PJ088880 PCCCYYW C43H52N8O10S3 936.2969 NA PeJP NA NA +PJ088881 DDDEEEW C38H48N8O20 936.2985 NA PeJP NA NA +PJ088882 CNDEMYY C39H52N8O15S2 936.2994 NA PeJP NA NA +PJ088883 SCCCNDHR C32H52N14O13S3 936.3001 NA PeJP NA NA +PJ088884 TCCMMYW C40H56N8O10S4 936.3003 NA PeJP NA NA +PJ088885 SPDDDEEM C35H52N8O20S 936.3019 NA PeJP NA NA +PJ088886 SSSCEMMY C36H56N8O15S3 936.3028 NA PeJP NA NA +PJ088887 GCNNNDDW C36H48N12O16S 936.3032 NA PeJP NA NA +PJ088888 GGGGGCNDDW C36H48N12O16S 936.3033 NA PeJP NA NA +PJ088889 CQMMMMY C37H60N8O10S5 936.3036 NA PeJP NA NA +PJ088890 GSCCNMHW C37H52N12O11S3 936.3041 NA PeJP NA NA +PJ088891 GSSNNNDDD C32H48N12O21 936.3057 NA PeJP NA NA +PJ088892 GGGGGSSNDDD C32H48N12O21 936.3058 NA PeJP NA NA +PJ088893 PCCNDDDR C33H52N12O16S2 936.3066 NA PeJP NA NA +PJ088894 CDDDHFW C41H48N10O14S 936.3073 NA PeJP NA NA +PJ088895 GCNNMMMH C34H56N12O11S4 936.3075 NA PeJP NA NA +PJ088896 GSNDDDEW C37H48N10O19 936.3098 NA PeJP NA NA +PJ088897 GPCNDDMW C38H52N10O14S2 936.3106 NA PeJP NA NA +PJ088898 PPCCCMHF C39H56N10O9S4 936.3115 NA PeJP NA NA +PJ088899 CCDHHHW C39H48N14O10S2 936.312 NA PeJP NA NA +PJ088900 GNNDEEEM C34H52N10O19S 936.3131 NA PeJP NA NA +PJ088901 GGGGGDEEEM C34H52N10O19S 936.3132 NA PeJP NA NA +PJ088902 GSSSCCCKY C35H56N10O14S3 936.314 NA PeJP NA NA +PJ088903 SSCDDHHH C35H48N14O15S 936.3145 NA PeJP NA NA +PJ088904 GCDMYYW C43H52N8O12S2 936.3146 NA PeJP NA NA +PJ088905 CCMMMRY C36H60N10O9S5 936.3149 NA PeJP NA NA +PJ088906 PTCCCHHH C36H52N14O10S3 936.3153 NA PeJP NA NA +PJ088907 GSSDDMYY C39H52N8O17S 936.3171 NA PeJP NA NA +PJ088908 PPCDDDEF C39H52N8O17S 936.3172 NA PeJP NA NA +PJ088909 CNNNNNNM C32H52N14O15S2 936.3178 NA PeJP NA NA +PJ088910 GGGGGGCNNNM C32H52N14O15S2 936.3179 NA PeJP NA NA +PJ088911 GPTCCMYY C40H56N8O12S3 936.318 NA PeJP NA NA +PJ088912 GCCCQMHR C33H56N14O10S4 936.3187 NA PeJP NA NA +PJ088913 GSEEEEEE C35H52N8O22 936.3197 NA PeJP NA NA +PJ088914 GPDEEEMM C36H56N8O17S2 936.3205 NA PeJP NA NA +PJ088915 SPDDDDHH C36H48N12O18 936.321 NA PeJP NA NA +PJ088916 GSSMMMMY C37H60N8O12S4 936.3214 NA PeJP NA NA +PJ088917 SSSCCQHW C37H52N12O13S2 936.3219 NA PeJP NA NA +PJ088918 SSSSSCNEH C33H52N12O18S 936.3243 NA PeJP NA NA +PJ088919 GNDDDDMR C33H52N12O18S 936.3244 NA PeJP NA NA +PJ088920 SNDDDWW C41H48N10O16 936.325 NA PeJP NA NA +PJ088921 GSPPCCCDR C34H56N12O13S3 936.3252 NA PeJP NA NA +PJ088922 GGGGGGPCNMM C34H56N12O13S3 936.3253 NA PeJP NA NA +PJ088923 PCCNEWW C42H52N10O11S2 936.3259 NA PeJP NA NA +HMDB03325 Bilirubin diglucuronide C45H52N4O18 936.327637 NA HMDB2010 NA NA +HMDB03325 Bilirubin diglucuronide C45H52N4O18 936.32764 http://www.hmdb.ca/metabolites/HMDB03325 HMDB NA NA +HMDB03325 Bilirubin diglucuronide C45H52N4O18 936.32764 HMDB03325 PFEM_hmdb_metabocards_official NA NA +MJ098155 Bilirubin beta-diglucuronide C45H52N4O18 936.32766 NA MeJP NA NA +MetaCyc04329 bilirubin-bisglucuronoside [bilirubin β-diglucuronide;] C45H52N4O18 936.327661 NA metacyc NA NA +C05787 Bilirubin beta-diglucuronide C45H52N4O18 936.3277 NA KEGG NA NA +C05788 Urobilinogens C45H52N4O18 936.3277 NA KEGG NA NA +PJ088924 NNDEEMW C38H52N10O16S 936.3284 NA PeJP NA NA +PJ088925 SDMMMHW C39H56N10O11S3 936.3292 NA PeJP NA NA +PJ088926 SPPCCNMW C39H56N10O11S3 936.3293 NA PeJP NA NA +PJ088927 GCCCCHRR C32H56N16O9S4 936.33 NA PeJP NA NA +PJ088928 SSNNEEEE C34H52N10O21 936.3309 NA PeJP NA NA +PJ088929 SSSEEMMH C35H56N10O16S2 936.3318 NA PeJP NA NA +PJ088930 GNNDDEHH C35H48N14O17 936.3322 NA PeJP NA NA +PJ088931 GGGGGDDEHH C35H48N14O17 936.3323 NA PeJP NA NA +PJ088932 SSCEYYW C43H52N8O14S 936.3324 NA PeJP NA NA +PJ088933 SCCCCKKY C36H60N10O11S4 936.3326 NA PeJP NA NA +PJ088934 GSCEMHHH C36H52N14O12S2 936.3331 NA PeJP NA NA +PJ088935 GCMMFYW C44H56N8O9S3 936.3333 NA PeJP NA NA +PJ088936 SEEEEEW C39H52N8O19 936.3349 NA PeJP NA NA +PJ088937 SCNNNDDR C32H52N14O17S 936.3356 NA PeJP NA NA +PJ088938 PDEEMMW C40H56N8O14S2 936.3358 NA PeJP NA NA +PJ088939 CYYYYY C48H52N6O12S 936.3364 NA PeJP NA NA +PJ088940 SSCCNMHR C33H56N14O12S3 936.3365 NA PeJP NA NA +PJ088941 CQMMMFF C41H60N8O9S4 936.3366 NA PeJP NA NA +PJ088942 GACMMMFF C41H60N8O9S4 936.3367 NA PeJP NA NA +PJ088943 CCNQHFW C41H52N12O10S2 936.3371 NA PeJP NA NA +PJ088944 AAEEEEEM C36H56N8O19S 936.3383 NA PeJP NA NA +PJ088945 SSSTMMMY C37H60N8O14S3 936.3391 NA PeJP NA NA +PJ088946 SPPDEMMM C37H60N8O14S3 936.3392 NA PeJP NA NA +PJ088947 CNDDERW C37H52N12O15S 936.3396 NA PeJP NA NA +PJ088948 GGGGGGGGPCDF C37H52N12O15S 936.3397 NA PeJP NA NA +PJ088949 CKMMMMY C38H64N8O9S5 936.34 NA PeJP NA NA +PJ088950 GTCCCKHW C38H56N12O10S3 936.3405 NA PeJP NA NA +PJ088951 GPCCWWW C46H52N10O8S2 936.3411 NA PeJP NA NA +PJ088952 SSNDDDER C33H52N12O20 936.3421 NA PeJP NA NA +PJ088953 SPCNDDMR C34H56N12O15S2 936.343 NA PeJP NA NA +PJ088954 GNDEMWW C42H52N10O13S 936.3436 NA PeJP NA NA +PJ088955 GGGDEMWW C42H52N10O13S 936.3437 NA PeJP NA NA +PJ088956 CEMMMHR C35H60N12O10S4 936.3439 NA PeJP NA NA +PJ088957 GSSNEEEW C38H52N10O18 936.3461 NA PeJP NA NA +PJ088958 GGGSSEEEW C38H52N10O18 936.3462 NA PeJP NA NA +PJ088959 GSPNDMMW C39H56N10O13S2 936.347 NA PeJP NA NA +PJ088960 NNDDHHW C39H48N14O14 936.3475 NA PeJP NA NA +PJ088961 GCDFFYW C47H52N8O11S 936.3477 NA PeJP NA NA +PJ088962 AMMMMHW C40H60N10O8S4 936.3479 NA PeJP NA NA +PJ088963 SCMHHHW C40H52N14O9S2 936.3484 NA PeJP NA NA +PJ088964 DEEEEMR C35H56N10O18S 936.3495 NA PeJP NA NA +PJ088965 ANDEYYY C43H52N8O16 936.3501 NA PeJP NA NA +PJ088966 PDDEEFW C43H52N8O16 936.3502 NA PeJP NA NA +PJ088967 GTTEMMMH C36H60N10O13S3 936.3504 NA PeJP NA NA +PJ088968 SSSDMHHH C36H52N14O14S 936.3509 NA PeJP NA NA +PJ088969 GSMMYYW C44H56N8O11S2 936.351 NA PeJP NA NA +PJ088970 NMMMHHH C37H56N14O9S3 936.3517 NA PeJP NA NA +PJ088971 SSSSNNNNN C32H52N14O19 936.3533 NA PeJP NA NA +PJ088972 GGGGSSSSNNN C32H52N14O19 936.3534 NA PeJP NA NA +PJ088973 VDEEEMW C40H56N8O16S 936.3535 NA PeJP NA NA +PJ088974 GSSSTCCHR C33H56N14O14S2 936.3542 NA PeJP NA NA +PJ088975 GGGGGGGCEMR C33H56N14O14S2 936.3543 NA PeJP NA NA +PJ088976 AQMMMYY C41H60N8O11S3 936.3544 NA PeJP NA NA +PJ088977 GCDDRWW C41H52N12O12S 936.3549 NA PeJP NA NA +PJ088978 PPCCCCRR C34H60N14O9S4 936.3551 NA PeJP NA NA +PJ088979 ATTEEEEE C36H56N8O21 936.356 NA PeJP NA NA +PJ088980 APTEEEMM C37H60N8O16S2 936.3569 NA PeJP NA NA +PJ088981 GSSDDDRW C37H52N12O17 936.3574 NA PeJP NA NA +PJ088982 APPEMMMM C38H64N8O11S4 936.3578 NA PeJP NA NA +PJ088983 ASPCCDRW C38H56N12O12S2 936.3582 NA PeJP NA NA +PJ088984 GSPCCERW C38H56N12O12S2 936.3583 NA PeJP NA NA +PJ088985 NDMWWW C46H52N10O10S 936.3589 NA PeJP NA NA +PJ088986 SVCNDDER C34H56N12O17S 936.3607 NA PeJP NA NA +PJ088987 GSNDEEMR C34H56N12O17S 936.3608 NA PeJP NA NA +PJ088988 SSNEEWW C42H52N10O15 936.3614 NA PeJP NA NA +PJ088989 GPCNEMMR C35H60N12O12S3 936.3616 NA PeJP NA NA +PJ088990 GNNNNMHH C35H52N16O13S 936.3621 NA PeJP NA NA +PJ088991 SPCQMWW C43H56N10O10S2 936.3623 NA PeJP NA NA +PJ088992 SQQEEMW C39H56N10O15S 936.3648 NA PeJP NA NA +PJ088993 NEYYYW C47H52N8O13 936.3654 NA PeJP NA NA +PJ088994 GCCNNDRR C32H56N16O13S2 936.3655 NA PeJP NA NA +PJ088995 TTMMMHW C40H60N10O10S3 936.3656 NA PeJP NA NA +PJ088996 GGGAPMMMW C40H60N10O10S3 936.3657 NA PeJP NA NA +PJ088997 GSPCNHHW C40H52N14O11S 936.3661 NA PeJP NA NA +PJ088998 GCMFFFW C48H56N8O8S2 936.3663 NA PeJP NA NA +PJ088999 SSNDKEEE C35H56N10O20 936.3673 NA PeJP NA NA +C06504 Cob(II)yrinate a,c diamide C45H61CoN6O12 936.3679 NA KEGG NA NA +C06505 Cob(I)yrinate a,c diamide C45H61CoN6O12 936.3679 NA KEGG NA NA +HMDB06904 Cob(I)yrinate a,c diamide C45H61CoN6O12 936.36792 http://www.hmdb.ca/metabolites/HMDB06904 HMDB NA NA +HMDB06904 Cob(I)yrinate a,c diamide C45H61CoN6O12 936.36792 HMDB06904 PFEM_hmdb_metabocards_official NA NA +HMDB06904 Cob(I)yrinate a,c diamide C45H61CoN6O12 936.36792 NA HMDB2010 NA NA +MetaCyc04330 cob(I)yrinic acid a,c-diamide [] C45H61N6O12COBALT1 936.367947 NA metacyc NA NA +MetaCyc04331 cob(II)yrinic acid a,c-diamide [] C45H61N6O12COBALT1 936.367947 NA metacyc NA NA +PJ089000 STTTEMMH C36H60N10O15S2 936.3681 NA PeJP NA NA +PJ089001 GGGVQEEMM C36H60N10O15S2 936.3682 NA PeJP NA NA +PJ089002 GNNNNNQY C36H52N14O16 936.3686 NA PeJP NA NA +PJ089003 GGGGGGGGGGGGAY C36H52N14O16 936.3687 NA PeJP NA NA +PJ089004 SSTMYYW C44H56N8O13S 936.3688 NA PeJP NA NA +PJ089005 KEMMMMH C37H64N10O10S4 936.369 NA PeJP NA NA +PJ089006 CNNNMRW C37H56N14O11S2 936.3695 NA PeJP NA NA +PJ089007 SSSTTEYY C40H56N8O18 936.3713 NA PeJP NA NA +PJ089008 GSCDDERR C33H56N14O16S 936.372 NA PeJP NA NA +PJ089009 TTQMMYY C41H60N8O13S2 936.3721 NA PeJP NA NA +PJ089010 SDKMMYY C41H60N8O13S2 936.3722 NA PeJP NA NA +PJ089011 GSSSNNWW C41H52N12O14 936.3726 NA PeJP NA NA +PJ089012 GGGGGGNEFW C41H52N12O14 936.3727 NA PeJP NA NA +PJ089013 GPCCDMRR C34H60N14O11S3 936.3729 NA PeJP NA NA +PJ089014 CKMMMFF C42H64N8O8S4 936.373 NA PeJP NA NA +PJ089015 SPCCRWW C42H56N12O9S2 936.3735 NA PeJP NA NA +PJ089016 ACWWWW C50H52N10O7S 936.3742 NA PeJP NA NA +PJ089017 GTLEEEEM C37H60N8O18S 936.3747 NA PeJP NA NA +PJ089018 GPLEEMMM C38H64N8O13S3 936.3755 NA PeJP NA NA +PJ089019 SNDEMRW C38H56N12O14S 936.376 NA PeJP NA NA +PJ089020 GSSEWWW C46H52N10O12 936.3767 NA PeJP NA NA +PJ089021 PCNMMRW C39H60N12O9S3 936.3769 NA PeJP NA NA +PJ089022 MMHFWW C47H56N10O7S2 936.3775 NA PeJP NA NA +PJ089023 SSSNEEER C34H56N12O19 936.3785 NA PeJP NA NA +PJ089024 NQEEMMR C35H60N12O14S2 936.3794 NA PeJP NA NA +PJ089025 SSNNNQHH C35H52N16O15 936.3798 NA PeJP NA NA +PJ089026 GSNDDHHR C35H52N16O15 936.3799 NA PeJP NA NA +PJ089027 GTQEMWW C43H56N10O12S 936.38 NA PeJP NA NA +PJ089028 TMMMMHR C36H64N12O9S4 936.3802 NA PeJP NA NA +PJ089029 PPCCCKMR C36H64N12O9S4 936.3803 NA PeJP NA NA +PJ089030 GYYYWW C51H52N8O10 936.3807 NA PeJP NA NA +PJ089031 ACHHHFW C44H52N14O8S 936.3814 NA PeJP NA NA +PJ089032 GSSDKEEW C39H56N10O17 936.3825 NA PeJP NA NA +PJ089033 GGGGGVEEEF C39H56N10O17 936.3826 NA PeJP NA NA +PJ089034 VNQEMMW C40H60N10O12S2 936.3834 NA PeJP NA NA +PJ089035 SNQEHHW C40H52N14O13 936.3839 NA PeJP NA NA +PJ089036 QMFYYW C48H56N8O10S 936.384 NA PeJP NA NA +PJ089037 GGPCFFFY C48H56N8O10S 936.3841 NA PeJP NA NA +PJ089038 GSQKEEEM C36H60N10O17S 936.3859 NA PeJP NA NA +PJ089039 GDKEYYY C44H56N8O15 936.3865 NA PeJP NA NA +PJ089040 PVDEEYW C44H56N8O15 936.3866 NA PeJP NA NA +PJ089041 SSTLMMMH C37H64N10O12S3 936.3868 NA PeJP NA NA +PJ089042 SCDDRRW C37H56N14O13S 936.3872 NA PeJP NA NA +PJ089043 GGGGGSTCRW C37H56N14O13S 936.3873 NA PeJP NA NA +PJ089044 PPEMMFW C45H60N8O10S2 936.3874 NA PeJP NA NA +PJ089045 GNNNFWW C45H52N12O11 936.3879 NA PeJP NA NA +PJ089046 SSSDDDRR C33H56N14O18 936.3897 NA PeJP NA NA +PJ089047 GGGGGSSSSER C33H56N14O18 936.3898 NA PeJP NA NA +PJ089048 TLEEEMW C41H60N8O15S 936.3899 NA PeJP NA NA +PJ089049 NDDMMRR C34H60N14O13S2 936.3906 NA PeJP NA NA +PJ089050 PLEMMMW C42H64N8O10S3 936.3908 NA PeJP NA NA +PJ089051 SCNNKWW C42H56N12O11S 936.3912 NA PeJP NA NA +PJ089052 GSDMRWW C42H56N12O11S 936.3913 NA PeJP NA NA +PJ089053 SSWWWW C50H52N10O9 936.3919 NA PeJP NA NA +PJ089054 STTLEEEE C37H60N8O20 936.3924 NA PeJP NA NA +PJ089055 GVLEEEMM C38H64N8O15S2 936.3933 NA PeJP NA NA +PJ089056 SSSSQQQW C38H56N12O16 936.3937 NA PeJP NA NA +PJ089057 GSSSEERW C38H56N12O16 936.3938 NA PeJP NA NA +PJ089058 SPPLMMMM C39H68N8O10S4 936.3942 NA PeJP NA NA +PJ089059 GQEMMRW C39H60N12O11S2 936.3946 NA PeJP NA NA +PJ089060 GGGGGGKMMW C39H60N12O11S2 936.3947 NA PeJP NA NA +PJ089061 GSPEHHHH C39H52N16O12 936.3951 NA PeJP NA NA +PJ089062 TQMWWW C47H56N10O9S 936.3953 NA PeJP NA NA +PJ089063 GSTQEEMR C35H60N12O16S 936.3971 NA PeJP NA NA +PJ089064 GGGGGGSTKEM C35H60N12O16S 936.3972 NA PeJP NA NA +PJ089065 SSDKEWW C43H56N10O14 936.3978 NA PeJP NA NA +PJ089066 GSPQMMMR C36H64N12O11S3 936.398 NA PeJP NA NA +PJ089067 NNEMHHR C36H56N16O12S 936.3985 NA PeJP NA NA +PJ089068 SPCKMWW C44H60N10O9S2 936.3986 NA PeJP NA NA +PJ089069 GVQMMWW C44H60N10O9S2 936.3987 NA PeJP NA NA +MJ098156 Azecin 3 C46H64O20 936.399094 NA MeJP NA NA +PJ089070 GSQHHWW C44H52N14O10 936.3991 NA PeJP NA NA +PJ089071 SSPTTQMW C40H60N10O14S 936.4011 NA PeJP NA NA +PJ089072 SQKEEMW C40H60N10O14S 936.4012 NA PeJP NA NA +PJ089073 DKYYYW C48H56N8O12 936.4018 NA PeJP NA NA +PJ089074 CCDERRR C33H60N16O12S2 936.4019 NA PeJP NA NA +PJ089075 PNKMMMW C41H64N10O9S3 936.402 NA PeJP NA NA +PJ089076 AQQMHHW C41H56N14O10S 936.4025 NA PeJP NA NA +PJ089077 TTTTQQEE C36H60N10O19 936.4036 NA PeJP NA NA +PJ089078 SSTQKEEE C36H60N10O19 936.4037 NA PeJP NA NA +PJ089079 LEEEMMR C37H64N10O14S2 936.4045 NA PeJP NA NA +PJ089080 SSSSNNRW C37H56N14O15 936.405 NA PeJP NA NA +PJ089081 PVEEMFW C45H60N8O12S 936.4052 NA PeJP NA NA +PJ089082 PPCCKKMM C38H68N10O9S4 936.4054 NA PeJP NA NA +PJ089083 GCEMRRW C38H60N14O10S2 936.4059 NA PeJP NA NA +PJ089084 NQQHHHH C38H52N18O11 936.4063 NA PeJP NA NA +PJ089085 GGGAQHHHH C38H52N18O11 936.4064 NA PeJP NA NA +PJ089086 TCRWWW C46H56N12O8S 936.4065 NA PeJP NA NA +PJ089087 STTTTTYY C41H60N8O17 936.4077 NA PeJP NA NA +PJ089088 GSSDEMRR C34H60N14O15S 936.4084 NA PeJP NA NA +PJ089089 VLEEMMW C42H64N8O12S2 936.4085 NA PeJP NA NA +PJ089090 GPPLEMMY C42H64N8O12S2 936.4086 NA PeJP NA NA +PJ089091 SSSERWW C42H56N12O13 936.409 NA PeJP NA NA +PJ089092 GGGGGGGGAPFF C42H56N12O13 936.4091 NA PeJP NA NA +PJ089093 GSPCMMRR C35H64N14O10S3 936.4092 NA PeJP NA NA +PJ089094 CNDHHRR C35H56N18O11S 936.4097 NA PeJP NA NA +PJ089095 QMMRWW C43H60N12O8S2 936.4099 NA PeJP NA NA +PJ089096 SPHHHHW C43H52N16O9 936.4104 NA PeJP NA NA +PJ089097 SSLLEEEM C38H64N8O17S 936.4111 NA PeJP NA NA +PJ089098 SPVLEMMM C39H68N8O12S3 936.4119 NA PeJP NA NA +PJ089099 STQEMRW C39H60N12O13S 936.4124 NA PeJP NA NA +PJ089100 GTTTWWW C47H56N10O11 936.413 NA PeJP NA NA +PJ089101 GGGVEFWW C47H56N10O11 936.4131 NA PeJP NA NA +PJ089102 CLMMHFR C40H64N12O8S3 936.4133 NA PeJP NA NA +PJ089103 GNMHHRW C40H56N16O9S 936.4137 NA PeJP NA NA +PJ089104 SSSDKEER C35H60N12O18 936.4149 NA PeJP NA NA +PJ089105 SSPTQMMR C36H64N12O13S2 936.4157 NA PeJP NA NA +PJ089106 NKEEMMR C36H64N12O13S2 936.4158 NA PeJP NA NA +PJ089107 GSSQEHHR C36H56N16O14 936.4162 NA PeJP NA NA +PJ089108 GGGGGPNEHR C36H56N16O14 936.4163 NA PeJP NA NA +MJ098157 Keramamide H; 2'-Debromo, 5'-deoxy, N1'-Me C44H60N10O11S 936.416373 NA MeJP NA NA +PJ089109 GTKEMWW C44H60N10O11S 936.4164 NA PeJP NA NA +PJ089110 QFFFYW C52H56N8O9 936.4171 NA PeJP NA NA +PJ089111 GSTTKEEW C40H60N10O16 936.4189 NA PeJP NA NA +PJ089112 SSSCNQRR C33H60N16O14S 936.4196 NA PeJP NA NA +PJ089113 VNKEMMW C41H64N10O11S2 936.4198 NA PeJP NA NA +PJ089114 GNNQRYW C41H56N14O12 936.4202 NA PeJP NA NA +PJ089115 GGGNQRYW C41H56N14O12 936.4203 NA PeJP NA NA +PJ089116 KMFYYW C49H60N8O9S 936.4204 NA PeJP NA NA +PJ089117 CMRRWW C42H60N14O7S2 936.4211 NA PeJP NA NA +PJ089118 GSKKEEEM C37H64N10O16S 936.4223 NA PeJP NA NA +PJ089119 PTLEEYW C45H60N8O14 936.4229 NA PeJP NA NA +PJ089120 APTQKMMM C38H68N10O11S3 936.4231 NA PeJP NA NA +PJ089121 GPDKKMMM C38H68N10O11S3 936.4232 NA PeJP NA NA +PJ089122 SSDMRRW C38H60N14O12S 936.4236 NA PeJP NA NA +PJ089123 GGGGGGAAMFR C38H60N14O12S 936.4237 NA PeJP NA NA +PJ089124 PPLMMYW C46H64N8O9S2 936.4238 NA PeJP NA NA +PJ089125 NEFRWW C46H56N12O10 936.4243 NA PeJP NA NA +PJ089126 SSSSEERR C34H60N14O17 936.4261 NA PeJP NA NA +PJ089127 GPVLEEMY C42H64N8O14S 936.4263 NA PeJP NA NA +PJ089128 SQEMMRR C35H64N14O12S2 936.427 NA PeJP NA NA +PJ089129 APPLMMMF C43H68N8O9S3 936.4272 NA PeJP NA NA +PJ089130 GTTMRWW C43H60N12O10S 936.4276 NA PeJP NA NA +PJ089131 GGAPMRYW C43H60N12O10S 936.4277 NA PeJP NA NA +PJ089132 VNFWWW C51H56N10O8 936.4283 NA PeJP NA NA +PJ089133 ATLLEEMM C39H68N8O14S2 936.4297 NA PeJP NA NA +PJ089134 GSTTTERW C39H60N12O15 936.4301 NA PeJP NA NA +PJ089135 GGGGSSTTKW C39H60N12O15 936.4302 NA PeJP NA NA +PJ089136 APLLMMMM C40H72N8O9S4 936.4306 NA PeJP NA NA +PJ089137 GKEMMRW C40H64N12O10S2 936.431 NA PeJP NA NA +PJ089138 SSQHHRW C40H56N16O11 936.4315 NA PeJP NA NA +PJ089139 TKMWWW C48H60N10O8S 936.4317 NA PeJP NA NA +PJ089140 GSTKEEMR C36H64N12O15S 936.4335 NA PeJP NA NA +PJ089141 STTKEWW C44H60N10O13 936.4342 NA PeJP NA NA +PJ089142 GSPKMMMR C37H68N12O10S3 936.4344 NA PeJP NA NA +PJ089143 CNNQFRR C37H60N16O11S 936.4349 NA PeJP NA NA +PJ089144 GVKMMWW C45H64N10O8S2 936.435 NA PeJP NA NA +PJ089145 GSKHHWW C45H56N14O9 936.4355 NA PeJP NA NA +PJ089146 GSSSSSNRR C33H60N16O16 936.4374 NA PeJP NA NA +PJ089147 SKKEEMW C41H64N10O13S 936.4375 NA PeJP NA NA +PJ089148 GGGPLDKMY C41H64N10O13S 936.4376 NA PeJP NA NA +PJ089149 PPVEFYW C49H60N8O11 936.4382 NA PeJP NA NA +PJ089150 LKMMMHF C42H68N10O8S3 936.4384 NA PeJP NA NA +MJ098158 3,6,20-Trihydroxycholest-9(11)-en-23-one, 6-O-[6-Deoxy-?-D-glucopyranosyl-(1?2)-?-D-xylopyranosyl-(1?3)-6-deoxy-?-D-glucopyranoside], 3-O-sulfate C44H72O19S 936.43885 NA MeJP NA NA +PJ089151 GPCRRYW C42H60N14O9S 936.4389 NA PeJP NA NA +PJ089152 GFRWWW C50H56N12O7 936.4395 NA PeJP NA NA +PJ089153 SSTKKEEE C37H64N10O18 936.44 NA PeJP NA NA +2874 opioid fragment of dermorphin YIFHLMN 936.4403 antibacterial Inhouse_peptide NA peptide +PJ089154 AAKKEEMM C38H68N10O13S2 936.4409 NA PeJP NA NA +PJ089155 GQEERRY C38H60N14O14 936.4414 NA PeJP NA NA +PJ089156 AVKMYYY C46H64N8O11S 936.4415 NA PeJP NA NA +PJ089157 PVLEMYW C46H64N8O11S 936.4416 NA PeJP NA NA +PJ089158 SVCMRRW C39H64N14O9S2 936.4422 NA PeJP NA NA +PJ089159 GTMMRRW C39H64N14O9S2 936.4423 NA PeJP NA NA +PJ089160 VDHHHHR C39H56N18O10 936.4427 NA PeJP NA NA +PJ089161 AALLEEEY C42H64N8O16 936.4441 NA PeJP NA NA +PJ089162 SSSCLERR C35H64N14O14S 936.4447 NA PeJP NA NA +PJ089163 GSTTEMRR C35H64N14O14S 936.4448 NA PeJP NA NA +PJ089164 SPPVLMMY C43H68N8O11S2 936.4449 NA PeJP NA NA +PJ089165 STTTRWW C43H60N12O12 936.4454 NA PeJP NA NA +PJ089166 VNMMMRR C36H68N14O9S3 936.4456 NA PeJP NA NA +PJ089167 SNMHHRR C36H60N18O10S 936.4461 NA PeJP NA NA +PJ089168 KMMRWW C44H64N12O7S2 936.4463 NA PeJP NA NA +PJ089169 ALHHHHW C44H56N16O8 936.4468 NA PeJP NA NA +PJ089170 TTTLLEEM C39H68N8O16S 936.4474 NA PeJP NA NA +PJ089171 GLLLEMMM C40H72N8O11S3 936.4483 NA PeJP NA NA +PJ089172 STKEMRW C40H64N12O12S 936.4488 NA PeJP NA NA +PJ089173 GPTKYWW C48H60N10O10 936.4494 NA PeJP NA NA +PJ089174 ACKHHRW C41H60N16O8S 936.4501 NA PeJP NA NA +PJ089175 SSTTKEER C36H64N12O17 936.4513 NA PeJP NA NA +PJ089176 DKKEMMR C37H68N12O12S2 936.4521 NA PeJP NA NA +PJ089177 AATKEMMR C37H68N12O12S2 936.4522 NA PeJP NA NA +PJ089178 GDDRRRY C37H60N16O13 936.4526 NA PeJP NA NA +MJ098159 Deltorphin; 2-L-Isoleucine analogue C45H64N10O10S 936.452759 NA MeJP NA NA +PJ089179 SSLKMWW C45H64N10O10S 936.4528 NA PeJP NA NA +PJ089180 KFFFYW C53H60N8O8 936.4534 NA PeJP NA NA +PJ089181 PPPFFFW C53H60N8O8 936.4535 NA PeJP NA NA +PJ089182 SSSTLKEW C41H64N10O15 936.4553 NA PeJP NA NA +PJ089183 SSSCNKRR C34H64N16O13S 936.456 NA PeJP NA NA +PJ089184 VDKKMMW C42H68N10O10S2 936.4562 NA PeJP NA NA +PJ089185 QERRYW C42H60N14O11 936.4566 NA PeJP NA NA +PJ089186 GGGGGKRYW C42H60N14O11 936.4567 NA PeJP NA NA +PJ089187 PPLMFFW C50H64N8O8S 936.4568 NA PeJP NA NA +PJ089188 GMMMRRR C35H68N16O8S3 936.4569 NA PeJP NA NA +PJ089189 ATTKKEEM C38H68N10O15S 936.4587 NA PeJP NA NA +PJ089190 VVLEEYW C46H64N8O13 936.4593 NA PeJP NA NA +PJ089191 APTKKMMM C39H72N10O10S3 936.4595 NA PeJP NA NA +PJ089192 GGGLLKMMM C39H72N10O10S3 936.4596 NA PeJP NA NA +PJ089193 STTMRRW C39H64N14O11S 936.46 NA PeJP NA NA +PJ089194 PLLMMFW C47H68N8O8S2 936.4602 NA PeJP NA NA +PJ089195 VQRYWW C47H60N12O9 936.4607 NA PeJP NA NA +PJ089196 SSTTTERR C35H64N14O16 936.4625 NA PeJP NA NA +PJ089197 APTLLEMY C43H68N8O13S 936.4627 NA PeJP NA NA +PJ089198 SKEMMRR C36H68N14O11S2 936.4634 NA PeJP NA NA +PJ089199 LLLMMMW C44H72N8O8S3 936.4636 NA PeJP NA NA +PJ089200 GSSTHHRR C36H60N18O12 936.4639 NA PeJP NA NA +PJ089201 GPKMRYW C44H64N12O9S 936.464 NA PeJP NA NA +PJ089202 STLLLEMM C40H72N8O13S2 936.4661 NA PeJP NA NA +PJ089203 SSSTTLRW C40H64N12O14 936.4665 NA PeJP NA NA +PJ089204 GGGGAAKKEY C40H64N12O14 936.4666 NA PeJP NA NA +PJ089205 SVKMMRW C41H68N12O9S2 936.4674 NA PeJP NA NA +PJ089206 GPEHRRW C41H60N16O10 936.4679 NA PeJP NA NA +PJ089207 SSSLKEMR C37H68N12O14S 936.4699 NA PeJP NA NA +PJ089208 SPKKEYW C45H64N10O12 936.4705 NA PeJP NA NA +PJ089209 VVNKEYW C45H64N10O12 936.4706 NA PeJP NA NA +PJ089210 LQKMMMR C38H72N12O9S3 936.4708 NA PeJP NA NA +PJ089211 SPCRRRY C38H64N16O10S 936.4712 NA PeJP NA NA +PJ089212 GDMFRRR C38H64N16O10S 936.4713 NA PeJP NA NA +MJ098160 3,21-Dioxo-9(11),12-oleanadien-28-oic acid; 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H72O18 936.471865 NA MeJP NA NA +MJ098161 Atratogenin A; 2-Ketone, 3-O-?-D-glucopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-cymaropyranoside C48H72O18 936.471865 NA MeJP NA NA +MJ098162 Eupteleogenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranosyl-(1?3)-?-D-xylopyranoside] C48H72O18 936.471865 NA MeJP NA NA +MJ098163 Eupteleogenin; Glycoside C48H72O18 936.471865 NA MeJP NA NA +PJ089213 ARRYWW C46H60N14O8 936.4719 NA PeJP NA NA +PJ089214 GTTTLKMW C42H68N10O12S 936.4739 NA PeJP NA NA +PJ089215 PPVLYYW C50H64N8O10 936.4746 NA PeJP NA NA +PJ089216 AAMFRRW C43H64N14O8S 936.4753 NA PeJP NA NA +PJ089217 TTTTKKEE C38H68N10O17 936.4764 NA PeJP NA NA +PJ089218 GTLKKEMM C39H72N10O12S2 936.4773 NA PeJP NA NA +PJ089219 SQQQKRY C39H64N14O13 936.4777 NA PeJP NA NA +PJ089220 GKEERRY C39H64N14O13 936.4778 NA PeJP NA NA +PJ089221 VLLEMFW C47H68N8O10S 936.478 NA PeJP NA NA +PJ089222 PCKMFRR C40H68N14O8S2 936.4786 NA PeJP NA NA +PJ089223 GQHHFRR C40H60N18O9 936.4791 NA PeJP NA NA +PJ089224 SVVVLEEY C43H68N8O15 936.4804 NA PeJP NA NA +PJ089225 GTLLLEEY C43H68N8O15 936.4805 NA PeJP NA NA +PJ089226 SSSTLMRR C36H68N14O13S 936.4811 NA PeJP NA NA +PJ089227 GPLLLMMY C44H72N8O10S2 936.4813 NA PeJP NA NA +PJ089228 GVKERYW C44H64N12O11 936.4818 NA PeJP NA NA +PJ089229 CLKMMRR C37H72N14O8S3 936.482 NA PeJP NA NA +PJ089230 TCKHHRR C37H64N18O9S 936.4825 NA PeJP NA NA +PJ089231 PHRRWW C45H60N16O7 936.4831 NA PeJP NA NA +PJ089232 SVLLLMMM C41H76N8O10S3 936.4847 NA PeJP NA NA +PJ089233 GSTCKKKW C41H68N12O11S 936.4852 NA PeJP NA NA +PJ089234 AALKYWW C49H64N10O9 936.4858 NA PeJP NA NA +MJ098164 Brevetoxin B; 37-Ac C52H72O15 936.487121 NA MeJP NA NA +PJ089235 ASSTTTTLR C37H68N12O16 936.4876 NA PeJP NA NA +PJ089236 TTTTTKER C37H68N12O16 936.4877 NA PeJP NA NA +PJ089237 GTTLKMMR C38H72N12O11S2 936.4885 NA PeJP NA NA +PJ089238 GTERRRY C38H64N16O12 936.489 NA PeJP NA NA +PJ089239 PCLKKYW C46H68N10O9S 936.4892 NA PeJP NA NA +PJ089240 STTTTLKW C42H68N10O14 936.4917 NA PeJP NA NA +PJ089241 TLKKMMW C43H72N10O9S2 936.4926 NA PeJP NA NA +MJ098165 Furostane-2,3,22,26-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside C45H76O20 936.492994 NA MeJP NA NA +MJ098166 Furostane-2,3,22,26-tetrol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside C45H76O20 936.492994 NA MeJP NA NA +MJ098167 Perdeacylorizabin; 2A-Tigloyl C45H76O20 936.492994 NA MeJP NA NA +PJ089242 KERRYW C43H64N14O10 936.493 NA PeJP NA NA +PJ089243 SSSVVVTKM C39H72N10O14S 936.495 NA PeJP NA NA +PJ089244 STTLKKEM C39H72N10O14S 936.4951 NA PeJP NA NA +PJ089245 TLLLEYW C47H68N8O12 936.4957 NA PeJP NA NA +PJ089246 GVLKKMMM C40H76N10O9S3 936.4959 NA PeJP NA NA +PJ089247 SPKMRRY C40H68N14O10S 936.4964 NA PeJP NA NA +PJ089248 VKRYWW C48H64N12O8 936.497 NA PeJP NA NA +PJ089249 PPPVRWW C48H64N12O8 936.4971 NA PeJP NA NA +PJ089250 TTTTTTRR C36H68N14O15 936.4989 NA PeJP NA NA +PJ089251 GVLLLEMY C44H72N8O12S 936.4991 NA PeJP NA NA +PJ089252 GSCKKKMR C37H72N14O10S2 936.4998 NA PeJP NA NA +PJ089253 SPEHRRR C37H64N18O11 936.5002 NA PeJP NA NA +PJ089254 GGGGLQHRR C37H64N18O11 936.5003 NA PeJP NA NA +PJ089255 GLKMFRW C45H68N12O8S 936.5004 NA PeJP NA NA +PJ089256 SSSSKKKW C41H68N12O13 936.5029 NA PeJP NA NA +PJ089257 GGGGGGGPPVLL C41H68N12O13 936.503 NA PeJP NA NA +PJ089258 PKKMMFR C42H72N12O8S2 936.5038 NA PeJP NA NA +PJ089259 TRRRYW C42H64N16O9 936.5043 NA PeJP NA NA +PJ089260 STTTLKMR C38H72N12O13S 936.5063 NA PeJP NA NA +PJ089261 ALKKEYW C46H68N10O11 936.5069 NA PeJP NA NA +PJ089262 PPPVVDKW C46H68N10O11 936.507 NA PeJP NA NA +PJ089263 LKKMMMR C39H76N12O8S3 936.5072 NA PeJP NA NA +PJ089264 GVMRRRY C39H68N16O9S 936.5076 NA PeJP NA NA +PJ089265 LLLEMRY C43H72N10O11S 936.5103 NA PeJP NA NA +PJ089266 PVLLFYW C51H68N8O9 936.511 NA PeJP NA NA +PJ089267 GQQHRRR C36H64N20O10 936.5115 NA PeJP NA NA +PJ089268 SSSTTTLLK C39H72N10O16 936.5128 NA PeJP NA NA +PJ089269 SSLLKKMM C40H76N10O11S2 936.5137 NA PeJP NA NA +PJ089270 SVKERRY C40H68N14O12 936.5141 NA PeJP NA NA +PJ089271 VTDKRRY C40H68N14O12 936.5142 NA PeJP NA NA +PJ089272 VLLLMYW C48H72N8O9S 936.5143 NA PeJP NA NA +PJ089273 GKHHFRR C41H64N18O8 936.5155 NA PeJP NA NA +PJ089274 SSLLLLEY C44H72N8O14 936.5168 NA PeJP NA NA +PJ089275 SSTCKKKR C37H72N14O12S 936.5175 NA PeJP NA NA +PJ089276 GLLLLMMF C45H76N8O9S2 936.5177 NA PeJP NA NA +PJ089277 ATLKRYW C45H68N12O10 936.5182 NA PeJP NA NA +PJ089278 MRRRRY C38H68N18O8S 936.5189 NA PeJP NA NA +PJ089279 VLQKMRY C42H72N12O10S 936.5215 NA PeJP NA NA +PJ089280 GGLLKMRY C42H72N12O10S 936.5216 NA PeJP NA NA +PJ089281 VLKHFFF C50H68N10O8 936.5222 NA PeJP NA NA +PJ089282 GSSTTTKKK C38H72N12O15 936.524 NA PeJP NA NA +PJ089283 GSKKKKMM C39H76N12O10S2 936.5249 NA PeJP NA NA +PJ089284 SSLRRRY C39H68N16O11 936.5254 NA PeJP NA NA +PJ089285 VVKKMFW C47H72N10O8S 936.5256 NA PeJP NA NA +PJ089286 LKKKEEY C43H72N10O13 936.5281 NA PeJP NA NA +MJ098168 Stigmastane-3,4,6,8,15,16,29-heptol, 29-O-[3-O-Methyl-?-D-xylopyranosyl-(1?4)-3-O-methyl-?-D-xylopyranosyl-(1?4)-?-D-xylopyranoside] C46H80O19 936.52938 NA MeJP NA NA +PJ089287 PTLKHRW C44H68N14O9 936.5294 NA PeJP NA NA +PJ089288 GPVLLLYY C48H72N8O11 936.5321 NA PeJP NA NA +PJ089289 ALKMRRY C41H72N14O9S 936.5328 NA PeJP NA NA +PJ089290 ATLLLLMY C45H76N8O11S 936.5355 NA PeJP NA NA +PJ089291 ALEHRRR C38H68N18O10 936.5366 NA PeJP NA NA +PJ089292 TLKKERY C42H72N12O12 936.5393 NA PeJP NA NA +PJ089293 GLLHRRW C43H68N16O8 936.5407 NA PeJP NA NA +PJ089294 SSTKKKKM C39H76N12O12S 936.5427 NA PeJP NA NA +PJ089295 SLLKKYW C47H72N10O10 936.5433 NA PeJP NA NA +PJ089296 PLKMHRR C40H72N16O8S 936.544 NA PeJP NA NA +PJ089297 AALLKKMY C44H76N10O10S 936.5467 NA PeJP NA NA +PJ089298 VLLLFFW C52H72N8O8 936.5473 NA PeJP NA NA +PJ089299 GQKHRRR C37H68N20O9 936.5479 NA PeJP NA NA +PJ089300 TTLKRRY C41H72N14O11 936.5505 NA PeJP NA NA +PJ089301 GPPLLERR C41H72N14O11 936.5506 NA PeJP NA NA +PJ089302 FFRRRR C42H68N18O7 936.5519 NA PeJP NA NA +PJ089303 TTTLLLLY C45H76N8O13 936.5532 NA PeJP NA NA +PJ089304 GKKKKYW C46H72N12O9 936.5546 NA PeJP NA NA +PJ089305 VLKKMRY C43H76N12O9S 936.5579 NA PeJP NA NA +PJ089306 VLKEHRR C40H72N16O10 936.5618 NA PeJP NA NA +PJ089307 ATTILKKY C44H76N10O12 936.5644 NA PeJP NA NA +PJ089308 ATTLLKKY C44H76N10O12 936.5645 NA PeJP NA NA +PJ089309 PPLLRRW C45H72N14O8 936.5658 NA PeJP NA NA +PJ089310 GVLLLLFY C49H76N8O10 936.5685 NA PeJP NA NA +PJ089311 CKKKKFR C42H76N14O8S 936.5692 NA PeJP NA NA +PJ089312 SLLHRRR C39H72N18O9 936.573 NA PeJP NA NA +PJ089313 DKKKKKY C43H76N12O11 936.5757 NA PeJP NA NA +PJ089314 APPLLLKW C48H76N10O9 936.5797 NA PeJP NA NA +HMDB11127 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(Galactosyl-alpha-1-6-Galactosyl-beta-1)-glycerol C51H84O15 936.580994 NA HMDB2010 NA NA +MJ098169 1,2-Di-O-acylglycerols; Glycerol 1,2-di-(9Z,12Z,15Z-octadecatrienoate), 3-O-[?-D-Allopyranosyl-(1?6)-?-D-glucopyranoside] C51H84O15 936.581022 NA MeJP NA NA +PJ089315 VVLLLLMH C45H80N10O9S 936.5831 NA PeJP NA NA +PJ089316 GKKHRRR C38H72N20O8 936.5843 NA PeJP NA NA +PJ089317 SKKKKRY C42H76N14O10 936.5869 NA PeJP NA NA +PJ089318 VLKKFFR C47H76N12O8 936.5909 NA PeJP NA NA +PJ089319 LLLKKHW C47H76N12O8 936.591 NA PeJP NA NA +PJ089320 KKKKKMF C44H80N12O8S 936.5943 NA PeJP NA NA +PJ089321 GPPVKKRR C41H76N16O9 936.5982 NA PeJP NA NA +PJ089322 ASPPVLLLK C45H80N10O11 936.6008 NA PeJP NA NA +PJ089323 PPLLLKKE C45H80N10O11 936.6009 NA PeJP NA NA +PJ089324 PPKKRRR C40H76N18O8 936.6094 NA PeJP NA NA +PJ089325 PPTLLLKR C44H80N12O10 936.6121 NA PeJP NA NA +MJ098170 Glycolipid C52H88O14 936.617407 NA MeJP NA NA +PJ089326 GPLLLLRR C43H80N14O9 936.6233 NA PeJP NA NA +PJ089327 LKKKKHR C42H80N16O8 936.6345 NA PeJP NA NA +PJ089328 PLLLLLQK C46H84N10O10 936.6372 NA PeJP NA NA +PJ089329 PVVLLLKR C45H84N12O9 936.6485 NA PeJP NA NA +PJ089330 PLLLLLKK C47H88N10O9 936.6736 NA PeJP NA NA +HMDB10530 TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C63H100O5 936.75708 NA HMDB2010 NA NA +HMDB05408 TG(18:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C61H108O6 936.814575 NA HMDB2010 NA NA +HMDB05451 TG(18:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C61H108O6 936.814575 NA HMDB2010 NA NA +HMDB05408 TG(18:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C61H108O6 936.81458 http://www.hmdb.ca/metabolites/HMDB05408 HMDB NA NA +HMDB05451 TG(18:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C61H108O6 936.81458 http://www.hmdb.ca/metabolites/HMDB05451 HMDB NA NA +HMDB05408 TG(18:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C61H108O6 936.81458 HMDB05408 PFEM_hmdb_metabocards_official NA NA +HMDB05451 TG(18:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C61H108O6 936.81458 HMDB05451 PFEM_hmdb_metabocards_official NA NA +MJ098171 Araplysillin I; N20-(13-Methyltetradecanoyl) C36H51Br4N3O6 937.051136 NA MeJP NA NA +PJ089331 GCCCCCCDE C29H47N9O14S6 937.1567 NA PeJP NA NA +PJ089332 CCCCCCDW C33H47N9O11S6 937.172 NA PeJP NA NA +PJ089333 SSCCCCCDD C29H47N9O16S5 937.1745 NA PeJP NA NA +PJ089334 PTCCCCCCC C30H51N9O11S7 937.1753 NA PeJP NA NA +PJ089335 GSCCCCCEM C30H51N9O13S6 937.1931 NA PeJP NA NA +PJ089336 CCCCNDDY C33H47N9O15S4 937.2075 NA PeJP NA NA +PJ089337 SCCCCCMW C34H51N9O10S6 937.2084 NA PeJP NA NA +PJ089338 SSTCCCCCE C30H51N9O15S5 937.2108 NA PeJP NA NA +PJ089339 SSSCCCCDM C30H51N9O15S5 937.2109 NA PeJP NA NA +PJ089340 CCCCNMMM C31H55N9O10S7 937.2117 NA PeJP NA NA +PJ089341 GSPCCCCCY C34H51N9O12S5 937.2261 NA PeJP NA NA +PJ089342 GSTCCCCMM C31H55N9O12S6 937.2295 NA PeJP NA NA +PJ089343 CCCNDDEH C32H47N11O16S3 937.2365 NA PeJP NA NA +PJ089344 ACCCCCFW C38H51N9O9S5 937.2414 NA PeJP NA NA +PJ089345 NDDDDDDD C32H43N9O24 937.2421 NA PeJP NA NA +PJ089346 GGDDDDDDD C32H43N9O24 937.2422 NA PeJP NA NA +PJ089347 SCCCNDMY C34H51N9O14S4 937.2439 NA PeJP NA NA +C05264 (S)-Hydroxydecanoyl-CoA C31H54N7O18P3S 937.2459 NA KEGG NA NA +HMDB03938 (S)-Hydroxydecanoyl-CoA C31H54N7O18P3S 937.24591 http://www.hmdb.ca/metabolites/HMDB03938 HMDB NA NA +HMDB03938 (S)-Hydroxydecanoyl-CoA C31H54N7O18P3S 937.24591 HMDB03938 PFEM_hmdb_metabocards_official NA NA +HMDB03938 (S)-Hydroxydecanoyl-CoA C31H54N7O18P3S 937.245911 NA HMDB2010 NA NA +PJ089348 SSSSCCCMM C31H55N9O14S5 937.2472 NA PeJP NA NA +PJ089349 GCCCDDHW C36H47N11O13S3 937.2517 NA PeJP NA NA +PJ089350 GSSCCDDDH C32H47N11O18S2 937.2542 NA PeJP NA NA +PJ089351 GSPCCCCEH C33H51N11O13S4 937.2551 NA PeJP NA NA +C16243 Cobalt-precorrin 5B C43H50CoN4O16 937.2554 NA KEGG NA NA +PJ089352 GTCCCCYW C38H51N9O11S4 937.2591 NA PeJP NA NA +PJ089353 GSPCDDDDD C33H47N9O21S 937.2608 NA PeJP NA NA +PJ089354 GSSSCCCEY C34H51N9O16S3 937.2616 NA PeJP NA NA +PJ089355 GCCCQMMY C35H55N9O11S5 937.2625 NA PeJP NA NA +PJ089356 CCCNNNMH C32H51N13O12S4 937.2663 NA PeJP NA NA +PJ089357 GGGGCCCNMH C32H51N13O12S4 937.2664 NA PeJP NA NA +PJ089358 SPCCCCHW C37H51N11O10S4 937.2704 NA PeJP NA NA +PJ089359 CNNNDDDE C32H47N11O20S 937.272 NA PeJP NA NA +PJ089360 SCCNDEMH C33H51N11O15S3 937.2729 NA PeJP NA NA +PJ089361 GCCCCMRY C34H55N11O10S5 937.2737 NA PeJP NA NA +PJ089362 SSSCCCYW C38H51N9O13S3 937.2769 NA PeJP NA NA +PJ089363 SNDDDDEE C33H47N9O23 937.2785 NA PeJP NA NA +PJ089364 SSSSSCCDY C34H51N9O18S2 937.2794 NA PeJP NA NA +PJ089365 SSCCNMMY C35H55N9O13S4 937.2802 NA PeJP NA NA +PJ089366 GGSSCCMMY C35H55N9O13S4 937.2803 NA PeJP NA NA +PJ089367 CDDEMYY C39H51N7O16S2 937.2834 NA PeJP NA NA +MJ098172 C-Alkaloid BL C40H50N4O22(+) 937.283844 NA MeJP NA NA +PJ089368 SCCCDDHR C32H51N13O14S3 937.2841 NA PeJP NA NA +PJ089369 GCNNDDDW C36H47N11O17S 937.2873 NA PeJP NA NA +PJ089370 CEMMMMY C37H59N7O11S5 937.2876 NA PeJP NA NA +PJ089371 GSCCDMHW C37H51N11O12S3 937.2881 NA PeJP NA NA +PJ089372 GSSNNDDDD C32H47N11O22 937.2898 NA PeJP NA NA +PJ089373 PCCDDDDR C33H51N11O17S2 937.2906 NA PeJP NA NA +PJ089374 STCCCCRY C34H55N11O12S4 937.2915 NA PeJP NA NA +PJ089375 CCCNFYW C42H51N9O10S3 937.2921 NA PeJP NA NA +PJ089376 GSDDDDEW C37H47N9O20 937.2938 NA PeJP NA NA +PJ089377 GSCCNEYY C38H51N9O15S2 937.2946 NA PeJP NA NA +PJ089378 GPCDDDMW C38H51N9O15S2 937.2947 NA PeJP NA NA +PJ089379 GCCCQMFF C39H55N9O10S4 937.2955 NA PeJP NA NA +PJ089380 GCNEEEEE C34H51N9O20S 937.2971 NA PeJP NA NA +PJ089381 GNDDEEEM C34H51N9O20S 937.2972 NA PeJP NA NA +PJ089382 GSSSTCCMY C35H55N9O15S3 937.298 NA PeJP NA NA +PJ089383 GCCCKMMY C36H59N9O10S5 937.2989 NA PeJP NA NA +PJ089384 SSSSCCNNH C32H51N13O16S2 937.3018 NA PeJP NA NA +PJ089385 GGSSSSCCNH C32H51N13O16S2 937.3019 NA PeJP NA NA +PJ089386 CDEMMFY C40H55N7O13S3 937.302 NA PeJP NA NA +PJ089387 GCCCEMHR C33H55N13O11S4 937.3027 NA PeJP NA NA +PJ089388 TCCCHWW C41H51N11O9S3 937.3034 NA PeJP NA NA +PJ089389 SSSCCEHW C37H51N11O14S2 937.3059 NA PeJP NA NA +PJ089390 CCQMMHW C38H55N11O9S4 937.3067 NA PeJP NA NA +PJ089391 GACCMMHW C38H55N11O9S4 937.3068 NA PeJP NA NA +PJ089392 GDDDDDMR C33H51N11O19S 937.3084 NA PeJP NA NA +PJ089393 SDDDDWW C41H47N9O17 937.309 NA PeJP NA NA +PJ089394 SSCNEMMH C34H55N11O14S3 937.3092 NA PeJP NA NA +PJ089395 GGSSCEMMH C34H55N11O14S3 937.3093 NA PeJP NA NA +PJ089396 PCCDEWW C42H51N9O12S2 937.3099 NA PeJP NA NA +PJ089397 GCCNMHHH C35H51N15O10S3 937.3106 NA PeJP NA NA +PJ089398 NDDEEMW C38H51N9O17S 937.3124 NA PeJP NA NA +PJ089399 SPPCCDMW C39H55N9O12S3 937.3133 NA PeJP NA NA +PJ089400 SSNDEEEE C34H51N9O22 937.3149 NA PeJP NA NA +PJ089401 SSSSTTCCY C35H55N9O17S2 937.3157 NA PeJP NA NA +PJ089402 SSSSSSCMY C35H55N9O17S2 937.3158 NA PeJP NA NA +PJ089403 GNDDDEHH C35H47N13O18 937.3163 NA PeJP NA NA +PJ089404 PCDDYYY C43H51N7O15S 937.3164 NA PeJP NA NA +PJ089405 STCCCKMY C36H59N9O12S4 937.3166 NA PeJP NA NA +PJ089406 GGPPCDMMM C36H59N9O12S4 937.3167 NA PeJP NA NA +PJ089407 GCCNNNQW C36H51N13O13S2 937.3171 NA PeJP NA NA +PJ089408 CCCMHRW C37H55N13O8S4 937.318 NA PeJP NA NA +PJ089409 SCNNDDDR C32H51N13O18S 937.3196 NA PeJP NA NA +PJ089410 SDEMMYY C40H55N7O15S2 937.3198 NA PeJP NA NA +PJ089411 SSCCDMHR C33H55N13O13S3 937.3205 NA PeJP NA NA +PJ089412 PCMMMYY C41H59N7O10S4 937.3207 NA PeJP NA NA +PJ089413 CCNEHFW C41H51N11O11S2 937.3211 NA PeJP NA NA +PJ089414 CDDDERW C37H51N11O16S 937.3236 NA PeJP NA NA +PJ089415 GGGGGSDDMW C37H51N11O16S 937.3237 NA PeJP NA NA +PJ089416 TMMMMMY C38H63N7O10S5 937.324 NA PeJP NA NA +PJ089417 GSSCMMHW C38H55N11O11S3 937.3245 NA PeJP NA NA +PJ089418 SSDDDDER C33H51N11O21 937.3261 NA PeJP NA NA +PJ089419 SPCDDDMR C34H55N11O16S2 937.327 NA PeJP NA NA +PJ089420 CNNDFYY C42H51N9O14S 937.3276 NA PeJP NA NA +PJ089421 GDDEMWW C42H51N9O14S 937.3277 NA PeJP NA NA +PJ089422 PPCCCEMR C35H59N11O11S4 937.3279 NA PeJP NA NA +PJ089423 SSCCQHHH C35H51N15O12S2 937.3283 NA PeJP NA NA +PJ089424 GGSTCCHHH C35H51N15O12S2 937.3284 NA PeJP NA NA +PJ089425 GSSDEEEW C38H51N9O19 937.3302 NA PeJP NA NA +PJ089426 GSPDDMMW C39H55N9O14S2 937.331 NA PeJP NA NA +PJ089427 NDDDHHW C39H47N13O15 937.3315 NA PeJP NA NA +PJ089428 APPCCMMW C40H59N9O9S4 937.3319 NA PeJP NA NA +PJ089429 GSQEEEEM C35H55N9O19S 937.3335 NA PeJP NA NA +PJ089430 GDEEYYY C43H51N7O17 937.3342 NA PeJP NA NA +PJ089431 GPNEEMMM C36H59N9O14S3 937.3344 NA PeJP NA NA +PJ089432 SSCNNNNW C36H51N13O15S 937.3349 NA PeJP NA NA +PJ089433 PCDMFYY C44H55N7O12S2 937.335 NA PeJP NA NA +PJ089434 CDEMFFF C44H55N7O12S2 937.3351 NA PeJP NA NA +PJ089435 GPCCCNRW C37H55N13O10S3 937.3357 NA PeJP NA NA +PJ089436 GGGPCCCRW C37H55N13O10S3 937.3358 NA PeJP NA NA +PJ089437 GCCHFWW C45H51N11O8S2 937.3364 NA PeJP NA NA +PJ089438 SSSSNNNND C32H51N13O20 937.3374 NA PeJP NA NA +PJ089439 GCNNDEMR C33H55N13O15S2 937.3382 NA PeJP NA NA +PJ089440 GGGGGCDEMR C33H55N13O15S2 937.3383 NA PeJP NA NA +PJ089441 AEMMMYY C41H59N7O12S3 937.3384 NA PeJP NA NA +PJ089442 SCNNEWW C41H51N11O13S 937.3389 NA PeJP NA NA +PJ089443 GTCCMMHR C34H59N13O10S4 937.3391 NA PeJP NA NA +PJ089444 SSSNNDEW C37H51N11O18 937.3414 NA PeJP NA NA +PJ089445 SSSTCMHW C38H55N11O13S2 937.3423 NA PeJP NA NA +PJ089446 DDMWWW C46H51N9O11S 937.3429 NA PeJP NA NA +PJ089447 CCKMMHW C39H59N11O8S4 937.3431 NA PeJP NA NA +PJ089448 SSSSPCNQE C34H55N11O18S 937.3447 NA PeJP NA NA +PJ089449 GSDDEEMR C34H55N11O18S 937.3448 NA PeJP NA NA +PJ089450 SSDEEWW C42H51N9O16 937.3454 NA PeJP NA NA +PJ089451 GPCDEMMR C35H59N11O13S3 937.3456 NA PeJP NA NA +PJ089452 GGGGGGSPMMM C35H59N11O13S3 937.3457 NA PeJP NA NA +PJ089453 GSSSSCHHH C35H51N15O14S 937.3461 NA PeJP NA NA +PJ089454 SPCEMWW C43H55N9O11S2 937.3463 NA PeJP NA NA +PJ089455 ACCCKHHH C36H55N15O9S3 937.347 NA PeJP NA NA +PJ089456 SQEEEMW C39H55N9O16S 937.3488 NA PeJP NA NA +PJ089457 DEYYYW C47H51N7O14 937.3494 NA PeJP NA NA +PJ089458 GCCNDDRR C32H55N15O14S2 937.3495 NA PeJP NA NA +PJ089459 SSPPCMMW C40H59N9O11S3 937.3496 NA PeJP NA NA +PJ089460 PNEMMMW C40H59N9O11S3 937.3497 NA PeJP NA NA +PJ089461 GSPCDHHW C40H51N13O12S 937.3501 NA PeJP NA NA +PJ089462 SSTQEEEE C35H55N9O21 937.3513 NA PeJP NA NA +MJ098173 Taxol?; 2',7-Di-Ac C51H55NO16 937.352084 NA MeJP NA NA +PJ089463 SSSSPPDMM C36H59N9O16S2 937.3521 NA PeJP NA NA +PJ089464 AAQEEEMM C36H59N9O16S2 937.3522 NA PeJP NA NA +PJ089465 GNNNNNEY C36H51N13O17 937.3526 NA PeJP NA NA +PJ089466 GGGGGGGGGNEY C36H51N13O17 937.3527 NA PeJP NA NA +PJ089467 SPDMYYY C44H55N7O14S 937.3528 NA PeJP NA NA +PJ089468 SPPNMMMM C37H63N9O11S4 937.353 NA PeJP NA NA +PJ089469 CNNDMRW C37H55N13O12S2 937.3535 NA PeJP NA NA +PJ089470 PCMMFFY C45H59N7O9S3 937.3537 NA PeJP NA NA +PJ089471 GSCNWWW C45H51N11O10S 937.3541 NA PeJP NA NA +PJ089472 GGGSCWWW C45H51N11O10S 937.3542 NA PeJP NA NA +PJ089473 CMHHHHH C38H51N17O8S2 937.3548 NA PeJP NA NA +PJ089474 SSNNDDMR C33H55N13O17S 937.356 NA PeJP NA NA +PJ089475 TTEMMYY C41H59N7O14S2 937.3562 NA PeJP NA NA +PJ089476 GSSSNDWW C41H51N11O15 937.3566 NA PeJP NA NA +PJ089477 GGGSSSDWW C41H51N11O15 937.3567 NA PeJP NA NA +PJ089478 SSSCMMHR C34H59N13O12S3 937.3569 NA PeJP NA NA +PJ089479 CLMMMFY C42H63N7O9S4 937.357 NA PeJP NA NA +PJ089480 GNNMMWW C42H55N11O10S2 937.3575 NA PeJP NA NA +PJ089481 SDDEMRW C38H55N11O15S 937.36 NA PeJP NA NA +PJ089482 GPDDYWW C46H51N9O13 937.3607 NA PeJP NA NA +PJ089483 PCDMMRW C39H59N11O10S3 937.3609 NA PeJP NA NA +PJ089484 CNQHHHY C39H51N15O11S 937.3613 NA PeJP NA NA +PJ089485 CNNQHHW C39H51N15O11S 937.3614 NA PeJP NA NA +PJ089486 PPCCFWW C47H55N9O8S2 937.3615 NA PeJP NA NA +PJ089487 SSSDEEER C34H55N11O20 937.3625 NA PeJP NA NA +PJ089488 NEEEMMR C35H59N11O15S2 937.3634 NA PeJP NA NA +PJ089489 GSDDDHHR C35H51N15O16 937.3639 NA PeJP NA NA +PJ089490 GTEEMWW C43H55N9O13S 937.364 NA PeJP NA NA +PJ089491 GGPDEMFW C43H55N9O13S 937.3641 NA PeJP NA NA +PJ089492 PPTCCMMR C36H63N11O10S4 937.3643 NA PeJP NA NA +PJ089493 GPCCEHHR C36H55N15O11S2 937.3647 NA PeJP NA NA +PJ089494 GPMMMWW C44H59N9O8S3 937.3649 NA PeJP NA NA +PJ089495 GSTTEEEW C39H55N9O18 937.3665 NA PeJP NA NA +PJ089496 GGGPTEEEY C39H55N9O18 937.3666 NA PeJP NA NA +PJ089497 GSSSCNNNR C32H55N15O16S 937.3672 NA PeJP NA NA +PJ089498 GGGGGGGSSSCR C32H55N15O16S 937.3673 NA PeJP NA NA +PJ089499 VNEEMMW C40H59N9O13S2 937.3674 NA PeJP NA NA +PJ089500 NNNNNYW C40H51N13O14 937.3679 NA PeJP NA NA +PJ089501 EMFYYW C48H55N7O11S 937.3681 NA PeJP NA NA +PJ089502 ACCNRWW C41H55N13O9S2 937.3687 NA PeJP NA NA +PJ089503 GCCQRWW C41H55N13O9S2 937.3688 NA PeJP NA NA +PJ089504 GSKEEEEM C36H59N9O18S 937.3699 NA PeJP NA NA +PJ089505 SVDEYYY C44H55N7O16 937.3705 NA PeJP NA NA +PJ089506 ATEEYYY C44H55N7O16 937.3706 NA PeJP NA NA +PJ089507 GPDKEMMM C37H63N9O13S3 937.3708 NA PeJP NA NA +PJ089508 GNNNNQMF C37H55N13O14S 937.3712 NA PeJP NA NA +PJ089509 GSSCNERW C37H55N13O14S 937.3713 NA PeJP NA NA +PJ089510 APMMYYY C45H59N7O11S2 937.3714 NA PeJP NA NA +PJ089511 GNNDFWW C45H51N11O12 937.3719 NA PeJP NA NA +PJ089512 CNMMHFR C38H59N13O9S3 937.3721 NA PeJP NA NA +PJ089513 GPCNHHHH C38H51N17O10S 937.3726 NA PeJP NA NA +PJ089514 SSSSSNNQQ C33H55N13O19 937.3737 NA PeJP NA NA +PJ089515 GSSSSNDER C33H55N13O19 937.3738 NA PeJP NA NA +PJ089516 DDDMMRR C34H59N13O14S2 937.3746 NA PeJP NA NA +PJ089517 GGGGGGGGTCKM C34H59N13O14S2 937.3747 NA PeJP NA NA +PJ089518 SLMMMYY C42H63N7O11S3 937.3748 NA PeJP NA NA +PJ089519 SSNQMWW C42H55N11O12S 937.3753 NA PeJP NA NA +PJ089520 SSSSQQEW C38H55N11O17 937.3778 NA PeJP NA NA +PJ089521 GEEMMRW C39H59N11O12S2 937.3786 NA PeJP NA NA +PJ089522 GGNDKMMW C39H59N11O12S2 937.3787 NA PeJP NA NA +PJ089523 GSSNNHHW C39H51N15O13 937.3791 NA PeJP NA NA +PJ089524 TEMWWW C47H55N9O10S 937.3793 NA PeJP NA NA +PJ089525 PCCHHRW C40H55N15O8S2 937.38 NA PeJP NA NA +PJ089526 SSSSTTTMH C35H59N11O17S 937.3811 NA PeJP NA NA +PJ089527 GSTEEEMR C35H59N11O17S 937.3812 NA PeJP NA NA +PJ089528 STTEEWW C43H55N9O15 937.3818 NA PeJP NA NA +PJ089529 GSPEMMMR C36H63N11O12S3 937.382 NA PeJP NA NA +PJ089530 GCNNNNFR C36H55N15O13S 937.3825 NA PeJP NA NA +PJ089531 GVEMMWW C44H59N9O10S2 937.3827 NA PeJP NA NA +PJ089532 GSEHHWW C44H51N13O11 937.3831 NA PeJP NA NA +PJ089533 SKEEEMW C40H59N9O15S 937.3852 NA PeJP NA NA +PJ089534 GPEFYYY C48H55N7O13 937.3858 NA PeJP NA NA +PJ089535 GSCNDMRR C33H59N15O13S2 937.3859 NA PeJP NA NA +PJ089536 PDKMMMW C41H63N9O10S3 937.386 NA PeJP NA NA +PJ089537 GGAPPMMMF C41H63N9O10S3 937.3861 NA PeJP NA NA +PJ089538 SSCNRWW C41H55N13O11S 937.3865 NA PeJP NA NA +PJ089539 PCMFFFF C49H59N7O8S2 937.3867 NA PeJP NA NA +PJ089540 SSTKEEEE C36H59N9O20 937.3877 NA PeJP NA NA +PJ089541 SSPKEEMM C37H63N9O15S2 937.3885 NA PeJP NA NA +PJ089542 AAKEEEMM C37H63N9O15S2 937.3886 NA PeJP NA NA +PJ089543 SSSSNDRW C37H55N13O16 937.389 NA PeJP NA NA +PJ089544 GGGGGGGGGPPPD C37H55N13O16 937.3891 NA PeJP NA NA +PJ089545 GLEMYYY C45H59N7O13S 937.3892 NA PeJP NA NA +PJ089546 GPLQMMMM C38H67N9O10S4 937.3894 NA PeJP NA NA +PJ089547 SNNMMRW C38H59N13O11S2 937.3899 NA PeJP NA NA +PJ089548 CLMMFFF C46H63N7O8S3 937.3901 NA PeJP NA NA +PJ089549 NQEHHHH C38H51N17O12 937.3903 NA PeJP NA NA +PJ089550 GGQEHHHH C38H51N17O12 937.3904 NA PeJP NA NA +PJ089551 GNMHFFW C46H55N11O9S 937.3905 NA PeJP NA NA +PJ089552 SSSNQEMR C34H59N13O16S 937.3924 NA PeJP NA NA +PJ089553 GSSSTQWW C42H55N11O14 937.393 NA PeJP NA NA +PJ089554 GGGGGGVEYW C42H55N11O14 937.3931 NA PeJP NA NA +PJ089555 NQQMMMR C35H63N13O11S3 937.3932 NA PeJP NA NA +PJ089556 GGQQMMMR C35H63N13O11S3 937.3933 NA PeJP NA NA +PJ089557 CDDHHRR C35H55N17O12S 937.3937 NA PeJP NA NA +PJ089558 EMMRWW C43H59N11O9S2 937.3939 NA PeJP NA NA +PJ089559 STEEMRW C39H59N11O14S 937.3964 NA PeJP NA NA +PJ089560 GNQFFYY C47H55N9O12 937.397 NA PeJP NA NA +PJ089561 GPTEYWW C47H55N9O12 937.3971 NA PeJP NA NA +PJ089562 SPMMMRW C40H63N11O9S3 937.3973 NA PeJP NA NA +PJ089563 ACEHHRW C40H55N15O10S 937.3977 NA PeJP NA NA +PJ089564 GDMHHRW C40H55N15O10S 937.3978 NA PeJP NA NA +PJ089565 VMMWWW C48H59N9O7S2 937.3979 NA PeJP NA NA +PJ089566 SHHWWW C48H51N13O8 937.3984 NA PeJP NA NA +PJ089567 SSTTEEER C35H59N11O19 937.3989 NA PeJP NA NA +PJ089568 DKEEMMR C36H63N11O14S2 937.3998 NA PeJP NA NA +PJ089569 GSNNNNRY C36H55N15O15 937.4002 NA PeJP NA NA +PJ089570 GGGGGSNNRY C36H55N15O15 937.4003 NA PeJP NA NA +PJ089571 SSLEMWW C44H59N9O12S 937.4004 NA PeJP NA NA +PJ089572 AAPMMMMR C37H67N11O9S4 937.4007 NA PeJP NA NA +PJ089573 PFYYYW C52H55N7O10 937.4011 NA PeJP NA NA +PJ089574 AAMHHWW C45H55N13O8S 937.4018 NA PeJP NA NA +PJ089575 SSSTLEEW C40H59N9O17 937.4029 NA PeJP NA NA +PJ089576 SSSCNERR C33H59N15O15S 937.4036 NA PeJP NA NA +PJ089577 VDKEMMW C41H63N9O12S2 937.4038 NA PeJP NA NA +PJ089578 GNNERYW C41H55N13O13 937.4043 NA PeJP NA NA +PJ089579 LMYYYW C49H59N7O10S 937.4044 NA PeJP NA NA +PJ089580 CNQMMRR C34H63N15O10S3 937.4045 NA PeJP NA NA +PJ089581 GCCKRWW C42H59N13O8S2 937.4051 NA PeJP NA NA +PJ089582 GQHHHHW C42H51N17O9 937.4056 NA PeJP NA NA +PJ089583 ATTKEEEM C37H63N9O17S 937.4063 NA PeJP NA NA +PJ089584 STLEYYY C45H59N7O15 937.4069 NA PeJP NA NA +PJ089585 APTKEMMM C38H67N9O12S3 937.4072 NA PeJP NA NA +PJ089586 GSSSQMRW C38H59N13O13S 937.4076 NA PeJP NA NA +PJ089587 GGGGGSPMRY C38H59N13O13S 937.4077 NA PeJP NA NA +PJ089588 ALMMFYY C46H63N7O10S2 937.4078 NA PeJP NA NA +PJ089589 QQQYWW C46H55N11O11 937.4083 NA PeJP NA NA +MJ098174 Taxol?; N-Debenzoyl, N-hexanoyl, 10-de-Ac, 7-O-?-D-xylopyranoside C49H63NO17 937.409599 NA MeJP NA NA +PJ089590 GSSSSTQER C34H59N13O18 937.4101 NA PeJP NA NA +PJ089591 GGGGGGSSSSTK C34H59N13O18 937.4102 NA PeJP NA NA +PJ089592 SEEMMRR C35H63N13O13S2 937.411 NA PeJP NA NA +PJ089593 SSSNNHHR C35H55N17O14 937.4115 NA PeJP NA NA +PJ089594 SSNKMWW C43H59N11O11S 937.4116 NA PeJP NA NA +PJ089595 GGSSKMWW C43H59N11O11S 937.4117 NA PeJP NA NA +PJ089596 PTYWWW C51H55N9O9 937.4123 NA PeJP NA NA +PJ089597 SSSSQKEW C39H59N11O16 937.4141 NA PeJP NA NA +PJ089598 GGSSSTKEW C39H59N11O16 937.4142 NA PeJP NA NA +PJ089599 SVEMMRW C40H63N11O11S2 937.415 NA PeJP NA NA +PJ089600 GGGGGPKMMF C40H63N11O11S2 937.4151 NA PeJP NA NA +PJ089601 SSEHHRW C40H55N15O12 937.4155 NA PeJP NA NA +PJ089602 GPVMYWW C48H59N9O9S 937.4157 NA PeJP NA NA +PJ089603 PHHHHHH C41H51N19O8 937.4169 NA PeJP NA NA +PJ089604 SSSLEEMR C36H63N11O16S 937.4175 NA PeJP NA NA +PJ089605 SPKEEYW C44H59N9O14 937.4182 NA PeJP NA NA +PJ089606 LQEMMMR C37H67N11O11S3 937.4184 NA PeJP NA NA +PJ089607 GSSSCRRW C37H59N15O12S 937.4189 NA PeJP NA NA +PJ089608 ATLMMWW C45H63N9O9S2 937.419 NA PeJP NA NA +PJ089609 SVVMMWW C45H63N9O9S2 937.4191 NA PeJP NA NA +PJ089610 NNRYWW C45H55N13O10 937.4195 NA PeJP NA NA +PJ089611 GSSSSSDRR C33H59N15O17 937.4214 NA PeJP NA NA +PJ089612 PTTTTTMW C41H63N9O14S 937.4215 NA PeJP NA NA +PJ089613 GTTTLEMW C41H63N9O14S 937.4216 NA PeJP NA NA +PJ089614 GPLYYYY C49H59N7O12 937.4222 NA PeJP NA NA +PJ089615 GGGSSMMRR C34H63N15O12S2 937.4223 NA PeJP NA NA +PJ089616 VLQMMMW C42H67N9O9S3 937.4224 NA PeJP NA NA +PJ089617 GNQMFRW C42H59N13O10S 937.4229 NA PeJP NA NA +PJ089618 GHHFFFF C50H55N11O8 937.4236 NA PeJP NA NA +PJ089619 SSSSSLLEE C37H63N9O19 937.424 NA PeJP NA NA +PJ089620 TTTTKEEE C37H63N9O19 937.4241 NA PeJP NA NA +2875 opioid fragment of dermorphin YIFHLMD 937.4243 antibacterial Inhouse_peptide NA peptide +PJ089621 GTLKEEMM C38H67N9O14S2 937.4249 NA PeJP NA NA +PJ089622 SSSSTQRW C38H59N13O15 937.4254 NA PeJP NA NA +PJ089623 SVLMYYY C46H63N7O12S 937.4256 NA PeJP NA NA +PJ089624 GPLKMMMM C39H71N9O9S4 937.4258 NA PeJP NA NA +PJ089625 SCQKMRW C39H63N13O10S2 937.4263 NA PeJP NA NA +PJ089626 NNNHHFR C39H55N17O11 937.4267 NA PeJP NA NA +PJ089627 GGGGNHHFR C39H55N17O11 937.4268 NA PeJP NA NA +PJ089628 PMRYWW C47H59N11O8S 937.4269 NA PeJP NA NA +2573 vasopressin CYFQNCPRGG 937.4269 antibacterial Inhouse_peptide NA peptide +PJ089629 SSSNKEMR C35H63N13O15S 937.4288 NA PeJP NA NA +PJ089630 GSSSTKWW C43H59N11O13 937.4294 NA PeJP NA NA +PJ089631 VDMMMRR C36H67N13O10S3 937.4296 NA PeJP NA NA +PJ089632 GGGAKMMMR C36H67N13O10S3 937.4297 NA PeJP NA NA +PJ089633 SDMHHRR C36H59N17O11S 937.4301 NA PeJP NA NA +PJ089634 GCKKMWW C44H63N11O8S2 937.4303 NA PeJP NA NA +PJ089635 PPQHHHW C44H55N15O9 937.4308 NA PeJP NA NA +PJ089636 GSSDKKMW C40H63N11O13S 937.4328 NA PeJP NA NA +PJ089637 AALEYWW C48H59N9O11 937.4334 NA PeJP NA NA +PJ089638 GGPVEFFW C48H59N9O11 937.4335 NA PeJP NA NA +PJ089639 ALMMMRW C41H67N11O8S3 937.4337 NA PeJP NA NA +PJ089640 GCNFRRW C41H59N15O9S 937.4341 NA PeJP NA NA +PJ089641 TTTTTEER C36H63N11O18 937.4353 NA PeJP NA NA +PJ089642 GTTLEMMR C37H67N11O13S2 937.4362 NA PeJP NA NA +PJ089643 SNNERRY C37H59N15O14 937.4366 NA PeJP NA NA +PJ089644 GGGGAPTEHR C37H59N15O14 937.4367 NA PeJP NA NA +PJ089645 TTTLMWW C45H63N9O11S 937.4368 NA PeJP NA NA +PJ089646 LFFYYW C53H59N7O9 937.4375 NA PeJP NA NA +PJ089647 SQHHHHR C38H55N19O10 937.438 NA PeJP NA NA +PJ089648 STTTTLEW C41H63N9O16 937.4393 NA PeJP NA NA +PJ089649 SSSSQMRR C34H63N15O14S 937.44 NA PeJP NA NA +PJ089650 TLKEMMW C42H67N9O11S2 937.4402 NA PeJP NA NA +PJ089651 GTQQRYW C42H59N13O12 937.4406 NA PeJP NA NA +PJ089652 EERRYW C42H59N13O12 937.4407 NA PeJP NA NA +PJ089653 ALMFFFY C50H63N7O9S 937.4408 NA PeJP NA NA +PJ089654 CNKMMRR C35H67N15O9S3 937.4409 NA PeJP NA NA +PJ089655 GKHHHHW C43H55N17O8 937.442 NA PeJP NA NA +PJ089656 STTLKEEM C38H67N9O16S 937.4427 NA PeJP NA NA +PJ089657 GVLKEMMM C39H71N9O11S3 937.4436 NA PeJP NA NA +PJ089658 GSSSKMRW C39H63N13O12S 937.444 NA PeJP NA NA +PJ089659 GGGGGGACKKF C39H63N13O12S 937.4441 NA PeJP NA NA +PJ089660 VERYWW C47H59N11O10 937.4447 NA PeJP NA NA +PJ089661 GSSSSTKER C35H63N13O17 937.4465 NA PeJP NA NA +PJ089662 GSTQKMMR C36H67N13O12S2 937.4474 NA PeJP NA NA +PJ089663 GSPNDHRR C36H59N17O13 937.4479 NA PeJP NA NA +PJ089664 STCKKWW C44H63N11O10S 937.448 NA PeJP NA NA +PJ089665 GGPCKKYW C44H63N11O10S 937.4481 NA PeJP NA NA +PJ089666 VVYWWW C52H59N9O8 937.4487 NA PeJP NA NA +PJ089667 SSSSKKEW C40H63N11O15 937.4505 NA PeJP NA NA +PJ089668 VDKEERY C40H63N11O15 937.4506 NA PeJP NA NA +PJ089669 SSSSCRRR C33H63N17O13S 937.4512 NA PeJP NA NA +PJ089670 TTLMMRW C41H67N11O10S2 937.4514 NA PeJP NA NA +PJ089671 GSNRRYW C41H59N15O11 937.4519 NA PeJP NA NA +PJ089672 GVLMFWW C49H63N9O8S 937.4521 NA PeJP NA NA +PJ089673 STTTLEMR C37H67N11O15S 937.4539 NA PeJP NA NA +PJ089674 ALKEEYW C45H63N9O13 937.4546 NA PeJP NA NA +PJ089675 LKEMMMR C38H71N11O10S3 937.4548 NA PeJP NA NA +PJ089676 GQQMRRY C38H63N15O11S 937.4553 NA PeJP NA NA +PJ089677 PVKMMFW C46H67N9O8S2 937.4554 NA PeJP NA NA +PJ089678 GPQKHWW C46H59N13O9 937.4559 NA PeJP NA NA +PJ089679 ASSSSSTRR C34H63N15O16 937.4577 NA PeJP NA NA +PJ089680 GSSSSTTRR C34H63N15O16 937.4578 NA PeJP NA NA +PJ089681 SSTTLLMW C42H67N9O13S 937.4579 NA PeJP NA NA +PJ089682 GGGVLLEMY C42H67N9O13S 937.458 NA PeJP NA NA +PJ089683 GLLFYYY C50H63N7O11 937.4586 NA PeJP NA NA +PJ089684 VLKMMMW C43H71N9O8S3 937.4588 NA PeJP NA NA +PJ089685 NNNQHRR C35H59N19O12 937.4591 NA PeJP NA NA +PJ089686 GNKMFRW C43H63N13O9S 937.4593 NA PeJP NA NA +PJ089687 PFFRWW C51H59N11O7 937.4599 NA PeJP NA NA +PJ089688 SSSTTTLLE C38H67N9O18 937.4604 NA PeJP NA NA +PJ089689 SSLLKEMM C39H71N9O13S2 937.4613 NA PeJP NA NA +PJ089690 SSSSTKRW C39H63N13O14 937.4618 NA PeJP NA NA +PJ089691 SCKKMRW C40H67N13O9S2 937.4626 NA PeJP NA NA +PJ089692 PCLMRRY C40H67N13O9S2 937.4627 NA PeJP NA NA +PJ089693 GEHHFRR C40H59N17O10 937.4631 NA PeJP NA NA +PJ089694 LMFRWW C48H63N11O7S 937.4633 NA PeJP NA NA +PJ089695 SSTTQKMR C36H67N13O14S 937.4651 NA PeJP NA NA +PJ089696 SSSDKKMR C36H67N13O14S 937.4652 NA PeJP NA NA +PJ089697 ATLERYW C44H63N11O12 937.4658 NA PeJP NA NA +PJ089698 TLMMMRR C37H71N13O9S3 937.466 NA PeJP NA NA +PJ089699 GCQRRRY C37H63N17O10S 937.4665 NA PeJP NA NA +PJ089700 GVHHFRW C45H59N15O8 937.4672 NA PeJP NA NA +PJ089701 GSTTKKMW C41H67N11O12S 937.4692 NA PeJP NA NA +PJ089702 GTLLYWW C49H63N9O10 937.4698 NA PeJP NA NA +PJ089703 GSSTTTKKE C37H67N11O17 937.4717 NA PeJP NA NA +PJ089704 SSTLLMMR C38H71N11O12S2 937.4725 NA PeJP NA NA +PJ089705 GSKKKEMM C38H71N11O12S2 937.4726 NA PeJP NA NA +PJ089706 SNDKRRY C38H63N15O13 937.473 NA PeJP NA NA +PJ089707 GGGGGGGGPPLR C38H63N15O13 937.4731 NA PeJP NA NA +PJ089708 PTLKMYW C46H67N9O10S 937.4732 NA PeJP NA NA +PJ089709 VKMMHHR C39H67N15O8S2 937.4739 NA PeJP NA NA +PJ089710 SKHHHHR C39H59N19O9 937.4744 NA PeJP NA NA +PJ089711 LKKEEEY C42H67N9O15 937.4757 NA PeJP NA NA +PJ089712 SSSSKMRR C35H67N15O13S 937.4764 NA PeJP NA NA +PJ089713 GPVLKMMY C43H71N9O10S2 937.4766 NA PeJP NA NA +PJ089714 GTQKRYW C43H63N13O11 937.477 NA PeJP NA NA +3722 NA WWPKHKG 937.477 ACE inhibitor Inhouse_peptide NA peptide +PJ089715 GGPKKEHW C43H63N13O11 937.4771 NA PeJP NA NA +PJ089716 PCNHRRR C36H63N19O9S 937.4777 NA PeJP NA NA +PJ089717 HHFRRW C44H59N17O7 937.4784 NA PeJP NA NA +PJ089718 SSSSTLLLM C39H71N9O15S 937.4791 NA PeJP NA NA +PJ089719 ATLLKMMM C40H75N9O10S3 937.4799 NA PeJP NA NA +PJ089720 ALEMRRY C40H67N13O11S 937.4804 NA PeJP NA NA +PJ089721 QKKYWW C48H63N11O9 937.4811 NA PeJP NA NA +MJ098175 Phenelfamycin; Phenelfamycin A C51H71NO15 937.48237 NA MeJP NA NA +MJ098176 Phenelfamycin; Phenelfamycin B C51H71NO15 937.48237 NA MeJP NA NA +PJ089722 SSSSSSLKR C36H67N13O16 937.4829 NA PeJP NA NA +PJ089723 GSTKKMMR C37H71N13O11S2 937.4838 NA PeJP NA NA +PJ089724 SSNRRRY C37H63N17O12 937.4842 NA PeJP NA NA +PJ089725 GGSSRRRY C37H63N17O12 937.4843 NA PeJP NA NA +PJ089726 GLLMRYW C45H67N11O9S 937.4844 NA PeJP NA NA +PJ089727 SSTTTKKW C41H67N11O14 937.4869 NA PeJP NA NA +PJ089728 GGALLLEEH C41H67N11O14 937.487 NA PeJP NA NA +PJ089729 SKKKMMW C42H71N11O9S2 937.4878 NA PeJP NA NA +PJ089730 SPQKHRW C42H63N15O10 937.4883 NA PeJP NA NA +PJ089731 SSTKKKEM C38H71N11O14S 937.4903 NA PeJP NA NA +PJ089732 SLLKEYW C46H67N9O12 937.4909 NA PeJP NA NA +PJ089733 TLLDKYW C46H67N9O12 937.491 NA PeJP NA NA +PJ089734 AAKKKMMM C39H75N11O9S3 937.4912 NA PeJP NA NA +PJ089735 GQKMRRY C39H67N15O10S 937.4916 NA PeJP NA NA +PJ089736 GGAKMRRY C39H67N15O10S 937.4917 NA PeJP NA NA +PJ089737 GPKKHWW C47H63N13O8 937.4923 NA PeJP NA NA +PJ089738 AALLKEMY C43H71N9O12S 937.4943 NA PeJP NA NA +PJ089739 GQEHRRR C36H63N19O11 937.4955 NA PeJP NA NA +PJ089740 ACKKFRW C44H67N13O8S 937.4957 NA PeJP NA NA +PJ089741 STTTTTTLL C39H71N9O17 937.4968 NA PeJP NA NA +PJ089742 TTTLLKMM C40H75N9O12S2 937.4977 NA PeJP NA NA +PJ089743 TTLERRY C40H67N13O13 937.4982 NA PeJP NA NA +PJ089744 VVMMFRR C41H71N13O8S2 937.499 NA PeJP NA NA +PJ089745 GVQHRRW C41H63N17O9 937.4995 NA PeJP NA NA +PJ089746 SSTTKKMR C37H71N13O13S 937.5015 NA PeJP NA NA +PJ089747 STLLRYW C45H67N11O11 937.5022 NA PeJP NA NA +PJ089748 GCKRRRY C38H67N17O9S 937.5029 NA PeJP NA NA +MJ098177 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-L-arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?6)-2-acetamido-2-deoxy-?-D-glucopyranoside] C48H75NO17 937.503499 NA MeJP NA NA +MJ098178 Amphotericin B; 13-Me ether C48H75NO17 937.503499 NA MeJP NA NA +PJ089749 VLKEMRY C42H71N11O11S 937.5056 NA PeJP NA NA +MJ098179 Axinellin B C50H67N9O9 937.506174 NA MeJP NA NA +PJ089750 PVVKFYW C50H67N9O9 937.5062 NA PeJP NA NA +PJ089751 SSSSTTLKK C38H71N11O16 937.5081 NA PeJP NA NA +PJ089752 ATTKKKMM C39H75N11O11S2 937.5089 NA PeJP NA NA +PJ089753 STQKRRY C39H67N15O12 937.5094 NA PeJP NA NA +PJ089754 VVLKMYW C47H71N9O9S 937.5096 NA PeJP NA NA +PJ089755 QHRRRW C40H63N19O8 937.5107 NA PeJP NA NA +PJ089756 GAHRRRW C40H63N19O8 937.5108 NA PeJP NA NA +PJ089757 ATTLLKEY C43H71N9O14 937.5121 NA PeJP NA NA +PJ089758 GVLLKMMF C44H75N9O9S2 937.513 NA PeJP NA NA +PJ089759 GTKKRYW C44H67N13O10 937.5134 NA PeJP NA NA +PJ089760 SLLMRRY C41H71N13O10S 937.5168 NA PeJP NA NA +PJ089761 KKKYWW C49H67N11O8 937.5174 NA PeJP NA NA +PJ089762 ALLLHWW C49H67N11O8 937.5175 NA PeJP NA NA +PJ089763 PPQERRR C38H67N17O11 937.5206 NA PeJP NA NA +PJ089764 GAPPERRR C38H67N17O11 937.5207 NA PeJP NA NA +PJ089765 AKKKMFW C46H71N11O8S 937.5208 NA PeJP NA NA +PJ089766 SSSLLLRY C42H71N11O13 937.5233 NA PeJP NA NA +PJ089767 LLKMMFR C43H75N11O8S2 937.5242 NA PeJP NA NA +PJ089768 PPVQRRW C43H67N15O9 937.5247 NA PeJP NA NA +PJ089769 TTTTKKKM C39H75N11O13S 937.5267 NA PeJP NA NA +PJ089770 AAPLLKYY C47H71N9O11 937.5273 NA PeJP NA NA +PJ089771 APPLLLEW C47H71N9O11 937.5274 NA PeJP NA NA +PJ089772 GKKMRRY C40H71N15O9S 937.528 NA PeJP NA NA +PJ089773 GTLLLKMY C44H75N9O11S 937.5307 NA PeJP NA NA +PJ089774 GKEHRRR C37H67N19O10 937.5319 NA PeJP NA NA +PJ089775 SKKKERY C41H71N13O12 937.5345 NA PeJP NA NA +PJ089776 TDKKKRY C41H71N13O12 937.5346 NA PeJP NA NA +PJ089777 APPRRRW C42H67N17O8 937.5359 NA PeJP NA NA +PJ089778 SVKKKYW C46H71N11O10 937.5386 NA PeJP NA NA +PJ089779 LQKKKMY C43H75N11O10S 937.5419 NA PeJP NA NA +PJ089780 GALKKKMY C43H75N11O10S 937.542 NA PeJP NA NA +PJ089781 VVLKFFW C51H71N9O8 937.5426 NA PeJP NA NA +PJ089782 GTHRRRR C36H67N21O9 937.5431 NA PeJP NA NA +PJ089783 STKKRRY C40H71N15O11 937.5458 NA PeJP NA NA +PJ089784 KHRRRW C41H67N19O7 937.5471 NA PeJP NA NA +PJ089785 STTLLLKY C44H75N9O13 937.5485 NA PeJP NA NA +PJ089786 TLLLHRW C45H71N13O9 937.5498 NA PeJP NA NA +PJ089787 CLKKKRY C42H75N13O9S 937.5532 NA PeJP NA NA +PJ089788 PPKERRR C39H71N17O10 937.557 NA PeJP NA NA +PJ089789 GTTLKKKY C43H75N11O12 937.5597 NA PeJP NA NA +PJ089790 PPVKRRW C44H71N15O8 937.5611 NA PeJP NA NA +PJ089791 SPPLLLLW C48H75N9O10 937.5637 NA PeJP NA NA +PJ089792 LLLMHRR C41H75N15O8S 937.5644 NA PeJP NA NA +PJ089793 AAPPLLLLM C45H79N9O10S 937.5671 NA PeJP NA NA +PJ089794 PPTRRRR C38H71N19O9 937.5683 NA PeJP NA NA +PJ089795 SSLLLLHR C42H75N13O11 937.5709 NA PeJP NA NA +PJ089796 APPLKKER C42H75N13O11 937.571 NA PeJP NA NA +PJ089797 GPPLLKKW C47H75N11O9 937.575 NA PeJP NA NA +PJ089798 LKKKKMY C44H79N11O9S 937.5783 NA PeJP NA NA +PJ089799 APPTLKRR C41H75N15O10 937.5822 NA PeJP NA NA +PJ089800 PLLLLLQE C45H79N9O12 937.5849 NA PeJP NA NA +PJ089801 VLKKKHW C46H75N13O8 937.5862 NA PeJP NA NA +PJ089802 PLLQRRR C40H75N17O9 937.5934 NA PeJP NA NA +PJ089803 PVVLLLER C44H79N11O11 937.5961 NA PeJP NA NA +PJ089804 APLLLLLW C49H79N9O9 937.6001 NA PeJP NA NA +PJ089805 PVVRRRR C39H75N19O8 937.6047 NA PeJP NA NA +PJ089806 SPPLLKKR C43H79N13O10 937.6073 NA PeJP NA NA +PJ089807 LKKKKFF C48H79N11O8 937.6113 NA PeJP NA NA +PJ089808 GPVLLKRR C42H79N15O9 937.6186 NA PeJP NA NA +PJ089809 SPVVVVLLL C46H83N9O11 937.6212 NA PeJP NA NA +PJ089810 PLLLLLKE C46H83N9O11 937.6213 NA PeJP NA NA +PJ089811 PLLKRRR C41H79N17O8 937.6298 NA PeJP NA NA +PJ089812 PTLLLLLR C45H83N11O10 937.6325 NA PeJP NA NA +PJ089813 APLLLKKR C44H83N13O9 937.6437 NA PeJP NA NA +PJ089814 LLLLLLLQ C47H87N9O10 937.6576 NA PeJP NA NA +PJ089815 VVLLLLLR C46H87N11O9 937.6689 NA PeJP NA NA +PJ089816 LLLLLLLK C48H91N9O9 937.694 NA PeJP NA NA +MJ098180 Bastadin 1 C34H30Br4N4O8 937.879714 NA MeJP NA NA +MJ098181 Bastadin 3 C34H30Br4N4O8 937.879714 NA MeJP NA NA +C10224 Eugeniin C41H30O26 938.1025 NA KEGG NA NA +MJ098182 1,6-Hexahydroxydiphenoylglucose, 2,3,4-Tris-(3,4,5-trihydroxybenzoyl) C41H30O26 938.102531 NA MeJP NA NA +MJ098183 2,3-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form, 1,4,6-Tris(3,4,5-trihydroxybenzoyl) C41H30O26 938.102531 NA MeJP NA NA +MJ098184 3,6-Hexahydroxydiphenoylglucose; (R)axial-?-D-pyranose-form, 1,2,4-Tris-(3,4,5-trihydroxybenzoyl) C41H30O26 938.102531 NA MeJP NA NA +MJ098185 3,6-Hexahydroxydiphenoylglucose; (R)axial-?-D-pyranose-form, 1,2,4-Tris-(3,4,5-trihydroxybenzoyl) C41H30O26 938.102531 NA MeJP NA NA +MJ098186 3,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1,2,4-Tris-(3,4,5-trihydroxybenzoyl) C41H30O26 938.102531 NA MeJP NA NA +MJ098187 3,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1,2,4-Tris-(3,4,5-trihydroxybenzoyl) C41H30O26 938.102531 NA MeJP NA NA +MJ098188 4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1,2,3-Tris-(3,4,5-trihydroxybenzoyl) C41H30O26 938.102531 NA MeJP NA NA +MJ098189 3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 2'',3'',4'',6''-Tetrakis-O-(3,4,5-trihydroxybenzoyl) C42H34O25 938.138916 NA MeJP NA NA +PJ089817 GCCCCCCNM C29H50N10O11S7 938.1706 NA PeJP NA NA +PJ089818 SSCCCCCCQ C29H50N10O13S6 938.1883 NA PeJP NA NA +PJ089819 GGSTCCCCCC C29H50N10O13S6 938.1884 NA PeJP NA NA +PJ089820 CCCCDDDY C33H46N8O16S4 938.1915 NA PeJP NA NA +PJ089821 CCCCDMMM C31H54N8O11S7 938.1957 NA PeJP NA NA +MJ098190 Chestanin C40H42O26 938.196431 NA MeJP NA NA +MJ098191 Isochestanin C40H42O26 938.196431 NA MeJP NA NA +PJ089822 GSSSSCCCCC C29H50N10O15S5 938.2061 NA PeJP NA NA +PJ089823 ACCCCCCCK C30H54N10O10S7 938.207 NA PeJP NA NA +PJ089824 CCCCDDMF C34H50N8O13S5 938.2101 NA PeJP NA NA +PJ089825 CCCCCMHH C32H50N12O9S6 938.2148 NA PeJP NA NA +PJ089826 CCCDDDEH C32H46N10O17S3 938.2205 NA PeJP NA NA +PJ089827 CCCCCNQY C33H50N10O12S5 938.2214 NA PeJP NA NA +PJ089828 SSCCCCCCK C30H54N10O12S6 938.2247 NA PeJP NA NA +PJ089829 DDDDDDDD C32H42N8O25 938.2262 NA PeJP NA NA +PJ089830 SCCCDDMY C34H50N8O15S4 938.2279 NA PeJP NA NA +PJ089831 SCCCMMMM C32H58N8O10S7 938.2321 NA PeJP NA NA +PJ089832 GPCCCCCNH C32H50N12O11S5 938.2326 NA PeJP NA NA +PJ089833 GSSCCCCNY C33H50N10O14S4 938.2391 NA PeJP NA NA +PJ089834 GCCCEMMY C35H54N8O12S5 938.2465 NA PeJP NA NA +PJ089835 CCCNNDMH C32H50N12O13S4 938.2504 NA PeJP NA NA +PJ089836 CNNDDDDE C32H46N10O21S 938.256 NA PeJP NA NA +PJ089837 SCCDDEMH C33H50N10O16S3 938.2569 NA PeJP NA NA +MJ098192 Dibalanocarpol C56H42O14 938.257456 NA MeJP NA NA +PJ089838 CCCCCNKY C34H54N10O11S5 938.2577 NA PeJP NA NA +PJ089839 GGCCCCCKY C34H54N10O11S5 938.2578 NA PeJP NA NA +PJ089840 GCCCDEFY C38H50N8O14S3 938.2609 NA PeJP NA NA +PJ089841 CCCMMYW C39H54N8O9S5 938.2618 NA PeJP NA NA +PJ089842 SDDDDDEE C33H46N8O24 938.2625 NA PeJP NA NA +PJ089843 PCDDDDEM C34H50N8O19S2 938.2634 NA PeJP NA NA +PJ089844 SSCCDMMY C35H54N8O14S4 938.2643 NA PeJP NA NA +PJ089845 ACCCMMMF C36H58N8O9S6 938.2651 NA PeJP NA NA +PJ089846 GCCCCQHW C36H50N12O10S4 938.2656 NA PeJP NA NA +PJ089847 GSSCCCNEH C32H50N12O15S3 938.2681 NA PeJP NA NA +PJ089848 GCNDDDDW C36H46N10O18S 938.2713 NA PeJP NA NA +PJ089849 GCCCNNYY C37H50N10O13S3 938.2721 NA PeJP NA NA +PJ089850 GSSNDDDDD C32H46N10O23 938.2738 NA PeJP NA NA +PJ089851 GSPCCNDDE C33H50N10O18S2 938.2746 NA PeJP NA NA +PJ089852 GGGSPCCDDE C33H50N10O18S2 938.2747 NA PeJP NA NA +PJ089853 GCDDMMMH C34H54N10O13S4 938.2755 NA PeJP NA NA +PJ089854 CCCDFYW C42H50N8O11S3 938.2762 NA PeJP NA NA +PJ089855 PCCCCHHH C35H50N14O9S4 938.2769 NA PeJP NA NA +PJ089856 GSCCDEYY C38H50N8O16S2 938.2787 NA PeJP NA NA +PJ089857 GPCCCMYY C39H54N8O11S4 938.2795 NA PeJP NA NA +PJ089858 GDDDEEEM C34H50N8O21S 938.2812 NA PeJP NA NA +PJ089859 GTCCMMMY C36H58N8O11S5 938.2829 NA PeJP NA NA +PJ089860 SSCCCNHW C36H50N12O12S3 938.2834 NA PeJP NA NA +PJ089861 SSSSCCNDH C32H50N12O17S2 938.2859 NA PeJP NA NA +PJ089862 SCCNNMMH C33H54N12O12S4 938.2867 NA PeJP NA NA +PJ089863 GGGGSCCMMH C33H54N12O12S4 938.2868 NA PeJP NA NA +PJ089864 SPCCNDDW C37H50N10O15S2 938.2899 NA PeJP NA NA +PJ089865 CCEMMHW C38H54N10O10S4 938.2908 NA PeJP NA NA +PJ089866 SNNDDDEM C33H50N10O20S 938.2924 NA PeJP NA NA +PJ089867 SSCDEMMH C34H54N10O15S3 938.2933 NA PeJP NA NA +PJ089868 SCCDYYW C42H50N8O13S2 938.2939 NA PeJP NA NA +PJ089869 SPCCMMMH C35H58N10O10S5 938.2941 NA PeJP NA NA +PJ089870 GCCDMHHH C35H50N14O11S3 938.2946 NA PeJP NA NA +PJ089871 CCCMFFW C43H54N8O8S4 938.2948 NA PeJP NA NA +PJ089872 DDDEEMW C38H50N8O18S 938.2964 NA PeJP NA NA +PJ089873 GSCCNNNNN C31H50N14O16S2 938.2971 NA PeJP NA NA +PJ089874 CNDMMYY C39H54N8O13S3 938.2973 NA PeJP NA NA +PJ089875 SCCCCQHR C32H54N14O11S4 938.298 NA PeJP NA NA +PJ089876 SSDDEEEE C34H50N8O23 938.2989 NA PeJP NA NA +PJ089877 SPDDDEMM C35H54N8O18S2 938.2998 NA PeJP NA NA +PJ089878 GDDDDEHH C35H46N12O19 938.3003 NA PeJP NA NA +PJ089879 SSSCMMMY C36H58N8O13S4 938.3006 NA PeJP NA NA +MJ098193 Rubroside G; 2'-O-[5-Deoxy-2-O-methyl-?-D-arabinofuranosyl-(1?4)-?-D-xylopyranosyl] C44H56Cl2N2O16 938.300689 NA MeJP NA NA +PJ089880 PPCDDMMM C36H58N8O13S4 938.3007 NA PeJP NA NA +PJ089881 GCCNNNEW C36H50N12O14S2 938.3011 NA PeJP NA NA +PJ089882 GGGGGGGCCEW C36H50N12O14S2 938.3012 NA PeJP NA NA +PJ089883 GCCCCKHW C37H54N12O9S4 938.302 NA PeJP NA NA +PJ089884 SCNDDDDR C32H50N12O19S 938.3036 NA PeJP NA NA +PJ089885 GGGGGGGSSCDE C32H50N12O19S 938.3037 NA PeJP NA NA +PJ089886 PCCCNDER C33H54N12O14S3 938.3045 NA PeJP NA NA +PJ089887 CCDEHFW C41H50N10O12S2 938.3052 NA PeJP NA NA +MJ098194 Purpureaside C; 3'''-Deoxy, 2,2',3',4'-tetra-Ac C43H54O23 938.305588 NA MeJP NA NA +PJ089888 ASCNDDEW C37H50N10O17S 938.3076 NA PeJP NA NA +PJ089889 GSNDDDMW C37H50N10O17S 938.3077 NA PeJP NA NA +PJ089890 GPCCNEMW C38H54N10O12S3 938.3085 NA PeJP NA NA +PJ089891 ASSSNDDDE C33H50N10O22 938.3101 NA PeJP NA NA +PJ089892 GSSSNDDEE C33H50N10O22 938.3102 NA PeJP NA NA +PJ089893 GNNDEEMM C34H54N10O17S2 938.311 NA PeJP NA NA +PJ089894 CNDDFYY C42H50N8O15S 938.3117 NA PeJP NA NA +PJ089895 GSDMMMMH C35H58N10O12S4 938.3119 NA PeJP NA NA +PJ089896 SSCCEHHH C35H50N14O13S2 938.3124 NA PeJP NA NA +PJ089897 ACCMYYW C43H54N8O10S3 938.3125 NA PeJP NA NA +PJ089898 GPDDDEEY C38H50N8O20 938.3142 NA PeJP NA NA +PJ089899 GSSCEMYY C39H54N8O15S2 938.315 NA PeJP NA NA +PJ089900 PPCDDDMF C39H54N8O15S2 938.3151 NA PeJP NA NA +PJ089901 DDDDHHW C39H46N12O16 938.3155 NA PeJP NA NA +PJ089902 GSSSCCCHR C32H54N14O13S3 938.3157 NA PeJP NA NA +PJ089903 CNMMMFY C40H58N8O10S4 938.3159 NA PeJP NA NA +PJ089904 CCNNNWW C40H50N12O11S2 938.3164 NA PeJP NA NA +PJ089905 ATCEEEEE C35H54N8O20S 938.3175 NA PeJP NA NA +PJ089906 GSEEEEEM C35H54N8O20S 938.3176 NA PeJP NA NA +PJ089907 GPDEEMMM C36H58N8O15S3 938.3184 NA PeJP NA NA +PJ089908 SSCNNNDW C36H50N12O16S 938.3189 NA PeJP NA NA +PJ089909 GPCCCDRW C37H54N12O11S3 938.3198 NA PeJP NA NA +PJ089910 SSSSNNNDD C32H50N12O21 938.3214 NA PeJP NA NA +PJ089911 SSSSSCNMH C33H54N12O16S2 938.3222 NA PeJP NA NA +PJ089912 GCNDDEMR C33H54N12O16S2 938.3223 NA PeJP NA NA +PJ089913 SCNDEWW C41H50N10O14S 938.3229 NA PeJP NA NA +PJ089914 GPPTCCCCR C34H58N12O11S4 938.3231 NA PeJP NA NA +PJ089915 PCCNMWW C42H54N10O9S3 938.3238 NA PeJP NA NA +PJ089916 SSSNDDEW C37H50N10O19 938.3254 NA PeJP NA NA +PJ089917 NNDEMMW C38H54N10O14S2 938.3263 NA PeJP NA NA +PJ089918 TCMMMHW C39H58N10O9S4 938.3271 NA PeJP NA NA +PJ089919 PPCCCCKW C39H58N10O9S4 938.3272 NA PeJP NA NA +PJ089920 SSNNEEEM C34H54N10O19S 938.3288 NA PeJP NA NA +PJ089921 PDDDEYW C42H50N8O17 938.3294 NA PeJP NA NA +PJ089922 SSSEMMMH C35H58N10O14S3 938.3296 NA PeJP NA NA +PJ089923 GGGGSPDMMM C35H58N10O14S3 938.3297 NA PeJP NA NA +PJ089924 GNNDDMHH C35H50N14O15S 938.3301 NA PeJP NA NA +PJ089925 SSCMYYW C43H54N8O12S2 938.3303 NA PeJP NA NA +PJ089926 QMMMMMH C36H62N10O9S5 938.3305 NA PeJP NA NA +PJ089927 GCCCNHFR C36H54N14O10S3 938.331 NA PeJP NA NA +MJ098195 Perdeacylemarginatine; 1-(2-Methyl-2-butenoyl), 6,8,9,14-tetra-Ac C46H54N2O19 938.332077 NA MeJP NA NA +PJ089928 SEEEEMW C39H54N8O17S 938.3328 NA PeJP NA NA +PJ089929 GCCDDDRR C32H54N14O15S2 938.3335 NA PeJP NA NA +PJ089930 PDEMMMW C40H58N8O12S3 938.3337 NA PeJP NA NA +PJ089931 SCCCCKHR C33H58N14O10S4 938.3344 NA PeJP NA NA +PJ089932 SSTEEEEE C35H54N8O22 938.3353 NA PeJP NA NA +C05773 Cobyrinate C45H59CoN4O14 938.336 NA KEGG NA NA +C11545 Cobalt-precorrin 8 C45H59CoN4O14 938.336 NA KEGG NA NA +PJ089933 AAEEEEMM C36H58N8O17S2 938.3362 NA PeJP NA NA +PJ089934 GNNNNDEY C36H50N12O18 938.3366 NA PeJP NA NA +PJ089935 GGGGGNNDEY C36H50N12O18 938.3367 NA PeJP NA NA +PJ089936 SPPDMMMM C37H62N8O12S4 938.337 NA PeJP NA NA +PJ089937 CNDDMRW C37H54N12O13S2 938.3375 NA PeJP NA NA +PJ089938 GSCDWWW C45H50N10O11S 938.3382 NA PeJP NA NA +PJ089939 SSNDDDMR C33H54N12O18S 938.34 NA PeJP NA NA +PJ089940 GSSSDDWW C41H50N10O16 938.3407 NA PeJP NA NA +PJ089941 SPCCNEMR C34H58N12O13S3 938.3409 NA PeJP NA NA +PJ089942 SCNNNNHH C34H50N16O14S 938.3413 NA PeJP NA NA +PJ089943 GGSCNNNHH C34H50N16O14S 938.3414 NA PeJP NA NA +PJ089944 GNDMMWW C42H54N10O11S2 938.3415 NA PeJP NA NA +PJ089945 CMMMMHR C35H62N12O8S5 938.3418 NA PeJP NA NA +MJ098196 Buddlenol E; 5',5''-Dimethoxy, 4'-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] C44H58O22 938.341973 NA MeJP NA NA +PJ089946 GSSNEEMW C38H54N10O16S 938.344 NA PeJP NA NA +PJ089947 GGGGGPDEMY C38H54N10O16S 938.3441 NA PeJP NA NA +PJ089948 GSPCQMMW C39H58N10O11S3 938.3449 NA PeJP NA NA +PJ089949 CNNEHHW C39H50N14O12S 938.3454 NA PeJP NA NA +PJ089950 ACCFFYW C47H54N8O9S2 938.3455 NA PeJP NA NA +PJ089951 GSSSSQEEE C34H54N10O21 938.3465 NA PeJP NA NA +PJ089952 DEEEMMR C35H58N10O16S2 938.3474 NA PeJP NA NA +PJ089953 SSNNDEHH C35H50N14O17 938.3479 NA PeJP NA NA +PJ089954 GNEMYYY C43H54N8O14S 938.348 NA PeJP NA NA +PJ089955 PDDEMFW C43H54N8O14S 938.3481 NA PeJP NA NA +PJ089956 GTTMMMMH C36H62N10O11S4 938.3483 NA PeJP NA NA +PJ089957 GSCCNNRW C36H54N14O12S2 938.3487 NA PeJP NA NA +PJ089958 GGGSCCNRW C36H54N14O12S2 938.3488 NA PeJP NA NA +PJ089959 CNMMFFF C44H58N8O9S3 938.3489 NA PeJP NA NA +PJ089960 GSPEEEEY C39H54N8O19 938.3506 NA PeJP NA NA +PJ089961 GSSSCNNDR C32H54N14O17S 938.3512 NA PeJP NA NA +PJ089962 GGGSSSCNDR C32H54N14O17S 938.3513 NA PeJP NA NA +PJ089963 VDEEMMW C40H58N8O14S2 938.3514 NA PeJP NA NA +PJ089964 NNNNDYW C40H50N12O15 938.3519 NA PeJP NA NA +PJ089965 SPCCCDRR C33H58N14O12S3 938.3521 NA PeJP NA NA +PJ089966 GCCERWW C41H54N12O10S2 938.3528 NA PeJP NA NA +PJ089967 ATTEEEEM C36H58N8O19S 938.3539 NA PeJP NA NA +PJ089968 APTEEMMM C37H62N8O14S3 938.3548 NA PeJP NA NA +PJ089969 GSSCDERW C37H54N12O15S 938.3553 NA PeJP NA NA +PJ089970 APPMMMMM C38H66N8O9S5 938.3557 NA PeJP NA NA +PJ089971 GNDDFWW C45H50N10O13 938.3559 NA PeJP NA NA +PJ089972 GSPCCMRW C38H58N12O10S3 938.3561 NA PeJP NA NA +PJ089973 GGPPCCCFR C38H58N12O10S3 938.3562 NA PeJP NA NA +PJ089974 GPCDHHHH C38H50N16O11S 938.3566 NA PeJP NA NA +PJ089975 CQMWWW C46H54N10O8S2 938.3568 NA PeJP NA NA +PJ089976 SSSTTNNND C33H54N12O20 938.3577 NA PeJP NA NA +PJ089977 GSSSSDDER C33H54N12O20 938.3578 NA PeJP NA NA +PJ089978 GSNDEMMR C34H58N12O15S2 938.3586 NA PeJP NA NA +PJ089979 GGGSDEMMR C34H58N12O15S2 938.3587 NA PeJP NA NA +PJ089980 SSNEMWW C42H54N10O13S 938.3593 NA PeJP NA NA +PJ089981 GPCNMMMR C35H62N12O10S4 938.3595 NA PeJP NA NA +PJ089982 GMMMHFW C43H58N10O8S3 938.3602 NA PeJP NA NA +PJ089983 GCNHHWW C43H50N14O9S 938.3606 NA PeJP NA NA +PJ089984 SSSSQEEW C38H54N10O18 938.3618 NA PeJP NA NA +PJ089985 SQQEMMW C39H58N10O13S2 938.3627 NA PeJP NA NA +PJ089986 GSSNDHHW C39H50N14O14 938.3631 NA PeJP NA NA +PJ089987 NMYYYW C47H54N8O11S 938.3633 NA PeJP NA NA +PJ089988 GCCCNQRR C32H58N16O11S3 938.3634 NA PeJP NA NA +PJ089989 CQMHHHF C40H54N14O9S2 938.364 NA PeJP NA NA +PJ089990 SSNDKEEM C35H58N10O18S 938.3652 NA PeJP NA NA +PJ089991 SPEEEYW C43H54N8O16 938.3658 NA PeJP NA NA +PJ089992 STTTMMMH C36H62N10O13S3 938.366 NA PeJP NA NA +PJ089993 GGGGGLEMMM C36H62N10O13S3 938.3661 NA PeJP NA NA +PJ089994 GCNNNDFR C36H54N14O14S 938.3665 NA PeJP NA NA +PJ089995 PPDMMYW C44H58N8O11S2 938.3667 NA PeJP NA NA +PJ089996 KMMMMMH C37H66N10O8S5 938.3669 NA PeJP NA NA +PJ089997 CCRWWW C45H54N12O7S2 938.368 NA PeJP NA NA +PJ089998 SSSTTMYY C40H58N8O16S 938.3692 NA PeJP NA NA +PJ089999 GSCDDMRR C33H58N14O14S2 938.3699 NA PeJP NA NA +PJ090000 TCKMMYY C41H62N8O11S3 938.37 NA PeJP NA NA +PJ090001 PPPTCMMY C41H62N8O11S3 938.3701 NA PeJP NA NA +PJ090002 SSCDRWW C41H54N12O12S 938.3705 NA PeJP NA NA +PJ090003 GGGGGGGGMFW C41H54N12O12S 938.3706 NA PeJP NA NA +PJ090004 APCCCMRR C34H62N14O9S4 938.3708 NA PeJP NA NA +PJ090005 TTTTEEEE C36H58N8O21 938.3717 NA PeJP NA NA +PJ090006 GTLEEEMM C37H62N8O16S2 938.3726 NA PeJP NA NA +PJ090007 SSSSDDRW C37H54N12O17 938.373 NA PeJP NA NA +PJ090008 GGGGGGGGATEY C37H54N12O17 938.3731 NA PeJP NA NA +PJ090009 GPLEMMMM C38H66N8O11S4 938.3734 NA PeJP NA NA +PJ090010 SNDMMRW C38H58N12O12S2 938.3739 NA PeJP NA NA +PJ090011 NEEHHHH C38H50N16O13 938.3744 NA PeJP NA NA +PJ090012 GSSMWWW C46H54N10O10S 938.3745 NA PeJP NA NA +PJ090013 GGAPCYWW C46H54N10O10S 938.3746 NA PeJP NA NA +PJ090014 CCHHHFR C39H54N16O8S2 938.3752 NA PeJP NA NA +PJ090015 SSSNEEMR C34H58N12O17S 938.3764 NA PeJP NA NA +PJ090016 GSSSTEWW C42H54N10O15 938.377 NA PeJP NA NA +PJ090017 GGAQEEYW C42H54N10O15 938.3771 NA PeJP NA NA +PJ090018 NQEMMMR C35H62N12O12S3 938.3773 NA PeJP NA NA +PJ090019 GSCNEHHR C35H54N16O13S 938.3777 NA PeJP NA NA +PJ090020 GGGSCEHHR C35H54N16O13S 938.3778 NA PeJP NA NA +PJ090021 GTQMMWW C43H58N10O10S2 938.3779 NA PeJP NA NA +PJ090022 GSSDKEMW C39H58N10O15S 938.3804 NA PeJP NA NA +PJ090023 GSTYYYW C47H54N8O13 938.3811 NA PeJP NA NA +PJ090024 VNQMMMW C40H62N10O10S3 938.3813 NA PeJP NA NA +PJ090025 SNQMHHW C40H54N14O11S 938.3817 NA PeJP NA NA +PJ090026 GGSQMHHW C40H54N14O11S 938.3818 NA PeJP NA NA +PJ090027 GSSSSKEEE C35H58N10O20 938.3829 NA PeJP NA NA +PJ090028 GSQKEEMM C36H62N10O15S2 938.3838 NA PeJP NA NA +PJ090029 GSNNNDRY C36H54N14O16 938.3843 NA PeJP NA NA +PJ090030 PVDEMYW C44H58N8O13S 938.3844 NA PeJP NA NA +PJ090031 GPPDEMFF C44H58N8O13S 938.3845 NA PeJP NA NA +PJ090032 GPNKMMMM C37H66N10O10S4 938.3847 NA PeJP NA NA +PJ090033 SCCERRW C37H58N14O11S2 938.3851 NA PeJP NA NA +PJ090034 GGGGGVMMHH C37H58N14O11S2 938.3852 NA PeJP NA NA +PJ090035 PPMMMFW C45H62N8O8S3 938.3853 NA PeJP NA NA +PJ090036 GSNNHHHH C37H50N18O12 938.3856 NA PeJP NA NA +PJ090037 PPCNHWW C45H54N12O9S 938.3858 NA PeJP NA NA +PJ090038 LQEEEEY C40H58N8O18 938.3869 NA PeJP NA NA +PJ090039 GALEEEEY C40H58N8O18 938.387 NA PeJP NA NA +PJ090040 SSSCDERR C33H58N14O16S 938.3876 NA PeJP NA NA +PJ090041 TLEEMMW C41H62N8O13S2 938.3878 NA PeJP NA NA +PJ090042 GNDERYW C41H54N12O14 938.3883 NA PeJP NA NA +PJ090043 CNEMMRR C34H62N14O11S3 938.3885 NA PeJP NA NA +PJ090044 PLMMMMW C42H66N8O8S4 938.3887 NA PeJP NA NA +PJ090045 ASCMRWW C42H58N12O9S2 938.3891 NA PeJP NA NA +PJ090046 GTCMRWW C42H58N12O9S2 938.3892 NA PeJP NA NA +PJ090047 GEHHHHW C42H50N16O10 938.3896 NA PeJP NA NA +PJ090048 STTLEEEM C37H62N8O18S 938.3903 NA PeJP NA NA +PJ090049 GVLEEMMM C38H66N8O13S3 938.3912 NA PeJP NA NA +PJ090050 SSSCNQKW C38H58N12O14S 938.3916 NA PeJP NA NA +PJ090051 GSSSEMRW C38H58N12O14S 938.3917 NA PeJP NA NA +PJ090052 SSSTWWW C46H54N10O12 938.3923 NA PeJP NA NA +PJ090053 GQMMMRW C39H62N12O9S3 938.3925 NA PeJP NA NA +PJ090054 SCNHHRW C39H54N16O10S 938.393 NA PeJP NA NA +PJ090055 CKMWWW C47H58N10O7S2 938.3932 NA PeJP NA NA +MJ098197 Vineomycin A1; 2C,3C,2E,3E-Tetrahydro C49H62O18 938.393615 NA MeJP NA NA +PJ090056 ASSSSSEER C34H58N12O19 938.3941 NA PeJP NA NA +PJ090057 GSSSSTEER C34H58N12O19 938.3942 NA PeJP NA NA +PJ090058 GSTQEMMR C35H62N12O14S2 938.395 NA PeJP NA NA +PJ090059 SSSNDHHR C35H54N16O15 938.3955 NA PeJP NA NA +PJ090060 SSDKMWW C43H58N10O12S 938.3957 NA PeJP NA NA +PJ090061 APCCKMMR C36H66N12O9S4 938.3959 NA PeJP NA NA +PJ090062 NFFYYW C51H54N8O10 938.3963 NA PeJP NA NA +PJ090063 NNMMHHR C36H58N16O10S2 938.3964 NA PeJP NA NA +PJ090064 SSSSKEEW C39H58N10O17 938.3982 NA PeJP NA NA +PJ090065 SQKEMMW C40H62N10O12S2 938.399 NA PeJP NA NA +PJ090066 GGTKEMMW C40H62N10O12S2 938.3991 NA PeJP NA NA +PJ090067 PNDDHRW C40H54N14O13 938.3995 NA PeJP NA NA +PJ090068 PPDMFFW C48H58N8O10S 938.3997 NA PeJP NA NA +PJ090069 GGGCCCKRR C33H62N16O10S3 938.3998 NA PeJP NA NA +PJ090070 CKMHHHF C41H58N14O8S2 938.4004 NA PeJP NA NA +PJ090071 SSTQKEEM C36H62N10O17S 938.4015 NA PeJP NA NA +PJ090072 GGSTTKEEM C36H62N10O17S 938.4016 NA PeJP NA NA +PJ090073 ALEEEYW C44H58N8O15 938.4022 NA PeJP NA NA +PJ090074 LEEMMMR C37H66N10O12S3 938.4024 NA PeJP NA NA +PJ090075 NNNQMRY C37H58N14O13S 938.4029 NA PeJP NA NA +PJ090076 PVEMMFW C45H62N8O10S2 938.4031 NA PeJP NA NA +PJ090077 NDRYWW C45H54N12O11 938.4035 NA PeJP NA NA +PJ090078 GGAPEHWW C45H54N12O11 938.4036 NA PeJP NA NA +PJ090079 GCMMRRW C38H62N14O8S3 938.4038 NA PeJP NA NA +PJ090080 HHHHWW C46H50N16O7 938.4049 NA PeJP NA NA +PJ090081 SSSSSSNQR C33H58N14O18 938.4054 NA PeJP NA NA +PJ090082 GPTLEEMY C41H62N8O15S 938.4056 NA PeJP NA NA +PJ090083 GSSDMMRR C34H62N14O13S2 938.4063 NA PeJP NA NA +PJ090084 VLEMMMW C42H66N8O10S3 938.4064 NA PeJP NA NA +PJ090085 GNNNNNHR C34H54N18O14 938.4067 NA PeJP NA NA +PJ090086 GGGGGGGNNHR C34H54N18O14 938.4068 NA PeJP NA NA +PJ090087 SSSMRWW C42H58N12O11S 938.4069 NA PeJP NA NA +PJ090088 AQYWWW C50H54N10O9 938.4075 NA PeJP NA NA +PJ090089 GAAYWWW C50H54N10O9 938.4076 NA PeJP NA NA +PJ090090 SSLLEEMM C38H66N8O15S2 938.4089 NA PeJP NA NA +PJ090091 SSSSTERW C38H58N12O16 938.4094 NA PeJP NA NA +PJ090092 SPVLMMMM C39H70N8O10S4 938.4098 NA PeJP NA NA +PJ090093 STQMMRW C39H62N12O11S2 938.4103 NA PeJP NA NA +PJ090094 NNDHHFR C39H54N16O12 938.4108 NA PeJP NA NA +PJ090095 GPCKYWW C47H58N10O9S 938.4109 NA PeJP NA NA +PJ090096 SSSDKEMR C35H62N12O16S 938.4128 NA PeJP NA NA +PJ090097 SSSSSLWW C43H58N10O14 938.4134 NA PeJP NA NA +PJ090098 GGGGGPLDFY C43H58N10O14 938.4135 NA PeJP NA NA +PJ090099 NKEMMMR C36H66N12O11S3 938.4137 NA PeJP NA NA +PJ090100 CNNNRRY C36H58N16O12S 938.4141 NA PeJP NA NA +PJ090101 GGGGGGGPMHR C36H58N16O12S 938.4142 NA PeJP NA NA +PJ090102 GTKMMWW C44H62N10O9S2 938.4143 NA PeJP NA NA +PJ090103 GQQHHFW C44H54N14O10 938.4148 NA PeJP NA NA +PJ090104 GSTTKEMW C40H62N10O14S 938.4168 NA PeJP NA NA +PJ090105 GVQFYYY C48H58N8O12 938.4174 NA PeJP NA NA +PJ090106 PPVDYYW C48H58N8O12 938.4175 NA PeJP NA NA +PJ090107 VNKMMMW C41H66N10O9S3 938.4177 NA PeJP NA NA +PJ090108 SNKMHHW C41H58N14O10S 938.4181 NA PeJP NA NA +PJ090109 GCDFRRW C41H58N14O10S 938.4182 NA PeJP NA NA +PJ090110 PQHWWW C49H54N12O8 938.4188 NA PeJP NA NA +PJ090111 GSSTTTKEE C36H62N10O19 938.4193 NA PeJP NA NA +PJ090112 GSKKEEMM C37H66N10O14S2 938.4202 NA PeJP NA NA +PJ090113 SNDERRY C37H58N14O15 938.4206 NA PeJP NA NA +PJ090114 GGSDERRY C37H58N14O15 938.4207 NA PeJP NA NA +PJ090115 PTLEMYW C45H62N8O12S 938.4208 NA PeJP NA NA +PJ090116 APCKKMMM C38H70N10O9S4 938.4211 NA PeJP NA NA +PJ090117 STCMRRW C38H62N14O10S2 938.4215 NA PeJP NA NA +PJ090118 SEHHHHR C38H54N18O11 938.422 NA PeJP NA NA +PJ090119 NMFRWW C46H58N12O8S 938.4222 NA PeJP NA NA +PJ090120 LKEEEEY C41H62N8O17 938.4233 NA PeJP NA NA +PJ090121 SSSSEMRR C34H62N14O15S 938.424 NA PeJP NA NA +PJ090122 GPVLEMMY C42H66N8O12S2 938.4242 NA PeJP NA NA +PJ090123 GTQERYW C42H58N12O13 938.4247 NA PeJP NA NA +PJ090124 SQMMMRR C35H66N14O10S3 938.4249 NA PeJP NA NA +PJ090125 GSSCHHRR C35H58N18O11S 938.4254 NA PeJP NA NA +PJ090126 PCCKFRW C43H62N12O8S2 938.4255 NA PeJP NA NA +PJ090127 SVHHHHW C43H54N16O9 938.426 NA PeJP NA NA +PJ090128 ATLLEMMM C39H70N8O12S3 938.4276 NA PeJP NA NA +PJ090129 GSTTTMRW C39H62N12O13S 938.428 NA PeJP NA NA +PJ090130 GGGGLEMRY C39H62N12O13S 938.4281 NA PeJP NA NA +PJ090131 QKEYWW C47H58N10O11 938.4287 NA PeJP NA NA +PJ090132 GKMMMRW C40H66N12O8S3 938.4289 NA PeJP NA NA +PJ090133 LQMHHHH C40H58N16O9S 938.4294 NA PeJP NA NA +PJ090134 SSSSSSLER C35H62N12O18 938.4305 NA PeJP NA NA +PJ090135 GSTKEMMR C36H66N12O13S2 938.4314 NA PeJP NA NA +PJ090136 GSPDDHRR C36H58N16O14 938.4319 NA PeJP NA NA +PJ090137 STTKMWW C44H62N10O11S 938.432 NA PeJP NA NA +PJ090138 PTNKMYW C44H62N10O11S 938.4321 NA PeJP NA NA +PJ090139 GQFFFFF C52H58N8O9 938.4327 NA PeJP NA NA +PJ090140 APPCCHRR C37H62N16O9S2 938.4328 NA PeJP NA NA +PJ090141 TTTTTTQW C40H62N10O16 938.4345 NA PeJP NA NA +PJ090142 SSTTTKEW C40H62N10O16 938.4346 NA PeJP NA NA +PJ090143 SKKEMMW C41H66N10O11S2 938.4354 NA PeJP NA NA +PJ090144 GGGGGLLMMF C41H66N10O11S2 938.4355 NA PeJP NA NA +PJ090145 GSDRRYW C41H58N14O12 938.4359 NA PeJP NA NA +PJ090146 PPVMFYW C49H62N8O9S 938.4361 NA PeJP NA NA +PJ090147 SSTKKEEM C37H66N10O16S 938.4379 NA PeJP NA NA +PJ090148 SLLEEYW C45H62N8O14 938.4386 NA PeJP NA NA +PJ090149 AAKKEMMM C38H70N10O11S3 938.4388 NA PeJP NA NA +PJ090150 GQEMRRY C38H62N14O12S 938.4393 NA PeJP NA NA +PJ090151 PVLMMYW C46H66N8O9S2 938.4395 NA PeJP NA NA +PJ090152 TQRYWW C46H58N12O10 938.4399 NA PeJP NA NA +PJ090153 CLHHHHR C39H58N18O8S 938.4406 NA PeJP NA NA +PJ090154 SSSSSSNKR C34H62N14O17 938.4418 NA PeJP NA NA +PJ090155 PTTCLLEY C42H66N8O14S 938.4419 NA PeJP NA NA +PJ090156 AALLEEMY C42H66N8O14S 938.442 NA PeJP NA NA +PJ090157 GSTTMMRR C35H66N14O12S2 938.4426 NA PeJP NA NA +PJ090158 GGSTCCKKR C35H66N14O12S2 938.4427 NA PeJP NA NA +PJ090159 GPLLMMMF C43H70N8O9S3 938.4428 NA PeJP NA NA +PJ090160 NNNEHRR C35H58N18O13 938.4431 NA PeJP NA NA +PJ090161 GVQMRYW C43H62N12O10S 938.4433 NA PeJP NA NA +PJ090162 AKYWWW C51H58N10O8 938.4439 NA PeJP NA NA +PJ090163 GVHFFFW C51H58N10O8 938.444 NA PeJP NA NA +PJ090164 TTTLLEMM C39H70N8O14S2 938.4453 NA PeJP NA NA +PJ090165 SSTTTTRW C39H62N12O15 938.4458 NA PeJP NA NA +PJ090166 GLLLMMMM C40H74N8O9S4 938.4462 NA PeJP NA NA +PJ090167 STKMMRW C40H66N12O10S2 938.4467 NA PeJP NA NA +PJ090168 GQQQHRW C40H58N16O11 938.4471 NA PeJP NA NA +PJ090169 GGGAAQHRW C40H58N16O11 938.4472 NA PeJP NA NA +PJ090170 AAKMFWW C48H62N10O8S 938.4473 NA PeJP NA NA +PJ090171 SSTTKEMR C36H66N12O15S 938.4492 NA PeJP NA NA +PJ090172 GKKEEYW C44H62N10O13 938.4498 NA PeJP NA NA +PJ090173 DKKMMMR C37H70N12O10S3 938.45 NA PeJP NA NA +PJ090174 GGGCKKKMM C37H70N12O10S3 938.4501 NA PeJP NA NA +PJ090175 GCERRRY C37H62N16O11S 938.4505 NA PeJP NA NA +PJ090176 PCKKMFW C45H66N10O8S2 938.4507 NA PeJP NA NA +MJ098198 Spirosta-5,25(27)-diene-1,3,23-triol, 1-O-[2,3-Di-O-acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] C47H70O19 938.45113 NA MeJP NA NA +PJ090177 GPTHRWW C45H58N14O9 938.4512 NA PeJP NA NA +PJ090178 SSSTLKMW C41H66N10O13S 938.4532 NA PeJP NA NA +PJ090179 PPTLYYW C49H62N8O11 938.4538 NA PeJP NA NA +PJ090180 GPPVEFFF C49H62N8O11 938.4539 NA PeJP NA NA +PJ090181 CLKKMMW C42H70N10O8S3 938.4541 NA PeJP NA NA +PJ090182 QMRRYW C42H62N14O9S 938.4545 NA PeJP NA NA +PJ090183 PKHWWW C50H58N12O7 938.4552 NA PeJP NA NA +PJ090184 SSSSTTLKE C37H66N10O18 938.4557 NA PeJP NA NA +PJ090185 VTTTQKMM C38H70N10O13S2 938.4565 NA PeJP NA NA +PJ090186 ATTKKEMM C38H70N10O13S2 938.4566 NA PeJP NA NA +PJ090187 STQERRY C38H62N14O14 938.457 NA PeJP NA NA +PJ090188 GGAALEEHR C38H62N14O14 938.4571 NA PeJP NA NA +PJ090189 VVLEMYW C46H66N8O11S 938.4572 NA PeJP NA NA +PJ090190 AQMMFRR C39H66N14O9S2 938.4579 NA PeJP NA NA +PJ090191 GNNHRRW C39H58N18O10 938.4584 NA PeJP NA NA +PJ090192 ATTLLEEY C42H66N8O16 938.4597 NA PeJP NA NA +PJ090193 SSTTTMRR C35H66N14O14S 938.4604 NA PeJP NA NA +PJ090194 APTLLMMY C43H70N8O11S2 938.4606 NA PeJP NA NA +PJ090195 ASKERYW C43H62N12O12 938.461 NA PeJP NA NA +PJ090196 GTKERYW C43H62N12O12 938.4611 NA PeJP NA NA +PJ090197 SKMMMRR C36H70N14O9S3 938.4613 NA PeJP NA NA +PJ090198 PCDHRRR C36H62N18O10S 938.4618 NA PeJP NA NA +PJ090199 PKHHHHF C44H58N16O8 938.4624 NA PeJP NA NA +PJ090200 VTTILMMM C40H74N8O11S3 938.4639 NA PeJP NA NA +PJ090201 STLLLMMM C40H74N8O11S3 938.464 NA PeJP NA NA +PJ090202 VNKEMRY C40H66N12O12S 938.4644 NA PeJP NA NA +PJ090203 GGGGAAPPPKM C40H66N12O12S 938.4645 NA PeJP NA NA +PJ090204 KKEYWW C48H62N10O10 938.4651 NA PeJP NA NA +PJ090205 CRRRYW C41H62N16O8S 938.4658 NA PeJP NA NA +PJ090206 SSSSTTTLR C36H66N12O17 938.4669 NA PeJP NA NA +PJ090207 SSSLKMMR C37H70N12O12S2 938.4678 NA PeJP NA NA +PJ090208 SSDRRRY C37H62N16O13 938.4683 NA PeJP NA NA +PJ090209 SPKKMYW C45H66N10O10S 938.4684 NA PeJP NA NA +PJ090210 GAALKMYW C45H66N10O10S 938.4685 NA PeJP NA NA +PJ090211 PPVFFFW C53H62N8O8 938.4691 NA PeJP NA NA +PJ090212 TTTTTTKW C41H66N10O15 938.4709 NA PeJP NA NA +PJ090213 GSVKKEEY C41H66N10O15 938.471 NA PeJP NA NA +PJ090214 AAPKKMMY C42H70N10O10S2 938.4718 NA PeJP NA NA +MJ098199 1,6,10,14-Phytatetraene-3,17-diol, 17-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside], 3-O-?-D-glucopyranoside C44H74O21 938.472259 NA MeJP NA NA +MJ098200 1-Dodecanol; O-[2-O-Acetyl-?-L-rhamnopyranosyl-(1?3)-2,4-di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] C44H74O21 938.472259 NA MeJP NA NA +MJ098201 1-Dodecanol; O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?3)-2,4-di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] C44H74O21 938.472259 NA MeJP NA NA +MJ098202 Mezzettiaside 7 C44H74O21 938.472259 NA MeJP NA NA +PJ090215 GTTRRYW C42H62N14O11 938.4723 NA PeJP NA NA +PJ090216 PVLMFFW C50H66N8O8S 938.4725 NA PeJP NA NA +PJ090217 TTTTKKEM C38H70N10O15S 938.4743 NA PeJP NA NA +PJ090218 AAPLLEYY C46H66N8O13 938.475 NA PeJP NA NA +PJ090219 GTLKKMMM C39H74N10O10S3 938.4752 NA PeJP NA NA +PJ090220 CNQKKRY C39H66N14O11S 938.4756 NA PeJP NA NA +PJ090221 GKEMRRY C39H66N14O11S 938.4757 NA PeJP NA NA +PJ090222 VLLMMFW C47H70N8O8S2 938.4758 NA PeJP NA NA +PJ090223 TKRYWW C47H62N12O9 938.4763 NA PeJP NA NA +PJ090224 GTLLLEMY C43H70N8O13S 938.4783 NA PeJP NA NA +PJ090225 SSCCKKKR C36H70N14O11S2 938.479 NA PeJP NA NA +PJ090226 GEEHRRR C36H62N18O12 938.4795 NA PeJP NA NA +PJ090227 GVKMRYW C44H66N12O9S 938.4797 NA PeJP NA NA +PJ090228 SKKEERY C40H66N12O14 938.4822 NA PeJP NA NA +PJ090229 VQKMMFR C41H70N12O9S2 938.483 NA PeJP NA NA +PJ090230 LNKMMFR C41H70N12O9S2 938.4831 NA PeJP NA NA +PJ090231 GVEHRRW C41H62N16O10 938.4835 NA PeJP NA NA +PJ090232 TTTTTKMR C37H70N12O14S 938.4855 NA PeJP NA NA +PJ090233 GSSSSKKKM C37H70N12O14S 938.4856 NA PeJP NA NA +PJ090234 SVKKEYW C45H66N10O12 938.4862 NA PeJP NA NA +PJ090235 ACCKKKKM C38H74N12O9S3 938.4864 NA PeJP NA NA +PJ090236 GTMRRRY C38H66N16O10S 938.4869 NA PeJP NA NA +3465 angiogenin fragment:108-123 ENGLPVHLDQSIFRRP 938.48745 MH2+ Inhouse_peptide NA peptide +PJ090237 QFFRRW C46H62N14O8 938.4875 NA PeJP NA NA +MJ098203 11,13(18)-Oleanadiene-3,23,28-triol; 3?-form, 28-Carboxylic acid, 23-aldehyde, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H74O18 938.487515 NA MeJP NA NA +MJ098204 12-Oleanene-3,21,22,23,29-pentol, 3-O-?-D-Glucuronopyranoside, 21-O-[2,3,4-tri-O-acetyl-?-L-rhamnopyranoside] C48H74O18 938.487515 NA MeJP NA NA +MJ098205 3,21-Dioxo-9(11),12-oleanadien-28-oic acid; 3?-Alcohol, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H74O18 938.487515 NA MeJP NA NA +MJ098206 3,22,24-Trihydroxy-12-oleanen-28-oic acid, 22-O-(2,3-Dihydro-5-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl) ether, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C48H74O18 938.487515 NA MeJP NA NA +MJ098207 3,23-Dihydroxy-9(11),12-oleanadien-28-oic acid; 3?-form, 23-Aldehyde, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H74O18 938.487515 NA MeJP NA NA +MJ098208 Atratogenin A; 3-O-?-D-Glucopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-cymaropyranoside C48H74O18 938.487515 NA MeJP NA NA +PJ090238 AALHRWW C46H62N14O8 938.4876 NA PeJP NA NA +PJ090239 LQKKEMY C42H70N10O12S 938.4896 NA PeJP NA NA +PJ090240 PVVLYYW C50H66N8O10 938.4902 NA PeJP NA NA +PJ090241 SNNHRRR C35H62N20O11 938.4907 NA PeJP NA NA +PJ090242 GGGGSHRRR C35H62N20O11 938.4908 NA PeJP NA NA +PJ090243 KMRRYW C43H66N14O8S 938.4909 NA PeJP NA NA +PJ090244 SSTTTTTLK C38H70N10O17 938.4921 NA PeJP NA NA +HMDB09931 PIP(16:0/20:4(5Z,8Z,11Z,14Z)) C45H80O16P2 938.492188 NA HMDB2010 NA NA +HMDB09932 PIP(16:0/20:4(8Z,11Z,14Z,17Z)) C45H80O16P2 938.492188 NA HMDB2010 NA NA +HMDB09987 PIP(18:2(9Z,12Z)/18:2(9Z,12Z)) C45H80O16P2 938.492188 NA HMDB2010 NA NA +HMDB10015 PIP(20:4(5Z,8Z,11Z,14Z)/16:0) C45H80O16P2 938.492188 NA HMDB2010 NA NA +HMDB10019 PIP(20:4(8Z,11Z,14Z,17Z)/16:0) C45H80O16P2 938.492188 NA HMDB2010 NA NA +PJ090245 STTLKKMM C39H74N10O12S2 938.4929 NA PeJP NA NA +PJ090246 STKERRY C39H66N14O13 938.4934 NA PeJP NA NA +PJ090247 GGGGGGGAPPKK C39H66N14O13 938.4935 NA PeJP NA NA +PJ090248 TLLLMYW C47H70N8O10S 938.4936 NA PeJP NA NA +PJ090249 AKMMFRR C40H70N14O8S2 938.4943 NA PeJP NA NA +PJ090250 EHRRRW C40H62N18O9 938.4948 NA PeJP NA NA +PJ090251 STTLLLEY C43H70N8O15 938.4961 NA PeJP NA NA +PJ090252 GVLLLMMY C44H74N8O10S2 938.497 NA PeJP NA NA +PJ090253 SSLKRYW C44H66N12O11 938.4974 NA PeJP NA NA +PJ090254 AAPPLERW C44H66N12O11 938.4975 NA PeJP NA NA +PJ090255 SPMHRRR C37H66N18O9S 938.4981 NA PeJP NA NA +PJ090256 VHRRWW C45H62N16O7 938.4988 NA PeJP NA NA +PJ090257 VDKKMRY C41H70N12O11S 938.5008 NA PeJP NA NA +PJ090258 PPLLQWW C49H66N10O9 938.5015 NA PeJP NA NA +PJ090259 SSSSSTKKK C37H70N12O16 938.5033 NA PeJP NA NA +PJ090260 SSCKKKKM C38H74N12O11S2 938.5042 NA PeJP NA NA +PJ090261 STTRRRY C38H66N16O12 938.5046 NA PeJP NA NA +PJ090262 PPEERRR C38H66N16O12 938.5047 NA PeJP NA NA +PJ090263 ALKKMYW C46H70N10O9S 938.5048 NA PeJP NA NA +PJ090264 GTTLKKEY C42H70N10O14 938.5073 NA PeJP NA NA +PJ090265 AAPPVVKEE C42H70N10O14 938.5074 NA PeJP NA NA +PJ090266 LLLMMRY C43H74N10O9S2 938.5082 NA PeJP NA NA +MJ098209 Calonyctin A1 C45H78O20 938.508644 NA MeJP NA NA +MJ098210 Perdeacylorizabin; 2A-(2S-Methylbutanoyl) C45H78O20 938.508644 NA MeJP NA NA +PJ090267 PPVERRW C43H66N14O10 938.5087 NA PeJP NA NA +PJ090268 ASPIILYY C47H70N8O12 938.5113 NA PeJP NA NA +PJ090269 GPTLLLYY C47H70N8O12 938.5114 NA PeJP NA NA +PJ090270 SVKMRRY C40H70N14O10S 938.512 NA PeJP NA NA +PJ090271 GGCKKKRY C40H70N14O10S 938.5121 NA PeJP NA NA +PJ090272 PPVVRWW C48H66N12O8 938.5127 NA PeJP NA NA +PJ090273 SSLLLLMY C44H74N8O12S 938.5147 NA PeJP NA NA +PJ090274 SVEHRRR C37H66N18O11 938.5159 NA PeJP NA NA +PJ090275 PLKKMHW C45H70N12O8S 938.5161 NA PeJP NA NA +PJ090276 GTTTLKRY C41H70N12O13 938.5186 NA PeJP NA NA +PJ090277 VKKMMFR C42H74N12O8S2 938.5194 NA PeJP NA NA +PJ090278 ATLHRRW C42H66N16O9 938.5199 NA PeJP NA NA +PJ090279 TTLKKYW C46H70N10O11 938.5226 NA PeJP NA NA +PJ090280 VLQMHRR C39H70N16O9S 938.5233 NA PeJP NA NA +PJ090281 KFFRRW C47H66N14O7 938.5239 NA PeJP NA NA +MJ098211 3,11,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3-Methylbutanoyl), 11-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranosyl (1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C49H78O17 938.523901 NA MeJP NA NA +MJ098212 3,11,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3-Methylbutanoyl), 11-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranosyl(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C49H78O17 938.523901 NA MeJP NA NA +PJ090282 LKKKEMY C43H74N10O11S 938.526 NA PeJP NA NA +PJ090283 VVLLFYW C51H70N8O9 938.5266 NA PeJP NA NA +PJ090284 APPTLERR C40H70N14O12 938.5298 NA PeJP NA NA +2965 maculatin 2,1, from Litoria genimaculata GFVDFLKKVAGTIANVVT~ 938.5299 MH2+ Inhouse_peptide NA peptide +PJ090285 GVLLLMFF C48H74N8O9S 938.53 NA PeJP NA NA +PJ090286 APHFRRR C41H66N18O8 938.5312 NA PeJP NA NA +PJ090287 GPPTLLRW C45H70N12O10 938.5338 NA PeJP NA NA +PJ090288 ALMHRRR C38H70N18O8S 938.5345 NA PeJP NA NA +PJ090289 TLKKMRY C42H74N12O10S 938.5372 NA PeJP NA NA +PJ090290 ALKKFFW C50H70N10O8 938.5378 NA PeJP NA NA +PJ090291 PPLLKWW C50H70N10O8 938.5379 NA PeJP NA NA +PJ090292 TLKEHRR C39H70N16O11 938.541 NA PeJP NA NA +PJ090293 GGAPPTKRR C39H70N16O11 938.5411 NA PeJP NA NA +PJ090294 LLLMFFR C47H74N10O8S 938.5412 NA PeJP NA NA +PJ090295 SSTLLKKY C43H74N10O13 938.5437 NA PeJP NA NA +PJ090296 SLLKHRW C44H70N14O9 938.5451 NA PeJP NA NA +PJ090297 AALLLLYY C48H74N8O11 938.5477 NA PeJP NA NA +PJ090298 GPPLLMRR C41H74N14O9S 938.5484 NA PeJP NA NA +PJ090299 TTLHRRR C38H70N18O10 938.5523 NA PeJP NA NA +PJ090300 GSTKKKKY C42H74N12O12 938.555 NA PeJP NA NA +PJ090301 GKKKHRW C43H70N16O8 938.5563 NA PeJP NA NA +PJ090302 SPPVLLKW C47H74N10O10 938.559 NA PeJP NA NA +PJ090303 VLKMHRR C40H74N16O8S 938.5597 NA PeJP NA NA +PJ090304 SLLLLLMH C44H78N10O10S 938.5624 NA PeJP NA NA +PJ090305 APQRRRR C37H70N20O9 938.5635 NA PeJP NA NA +PJ090306 GPVLLERR C41H74N14O11 938.5662 NA PeJP NA NA +PJ090307 PLLLLLEE C45H78N8O13 938.5689 NA PeJP NA NA +PJ090308 AAPLLLRW C46H74N12O9 938.5702 NA PeJP NA NA +PJ090309 PPVVLKMR C43H78N12O9S 938.5736 NA PeJP NA NA +PJ090310 PLLERRR C40H74N16O10 938.5774 NA PeJP NA NA +PJ090311 PVLLLQKE C44H78N10O12 938.5801 NA PeJP NA NA +PJ090312 PPKKKRW C45H74N14O8 938.5814 NA PeJP NA NA +PJ090313 PVLLRRW C45H74N14O8 938.5815 NA PeJP NA NA +PJ090314 PVQKRRR C39H74N18O9 938.5887 NA PeJP NA NA +PJ090315 APLLLKER C43H78N12O11 938.5913 NA PeJP NA NA +PJ090316 PVVVLKER C43H78N12O11 938.5914 NA PeJP NA NA +PJ090317 GPLLLLKW C48H78N10O9 938.5954 NA PeJP NA NA +PJ090318 PPLLLKKM C45H82N10O9S 938.5987 NA PeJP NA NA +PJ090319 APKRRRR C38H74N20O8 938.5999 NA PeJP NA NA +PJ090320 APTLLLRR C42H78N14O10 938.6026 NA PeJP NA NA +PJ090321 AAPLKKRR C41H78N16O9 938.6138 NA PeJP NA NA +PJ090322 PVLLLKKE C45H82N10O11 938.6165 NA PeJP NA NA +PJ090323 PVKKRRR C40H78N18O8 938.6251 NA PeJP NA NA +PJ090324 SPLLLLKR C44H82N12O10 938.6277 NA PeJP NA NA +PJ090325 GVLLLLRR C43H82N14O9 938.639 NA PeJP NA NA +PJ090326 LLLLLLLE C47H86N8O11 938.6417 NA PeJP NA NA +PJ090327 LLLLRRR C42H82N16O8 938.6502 NA PeJP NA NA +PJ090328 VLLLLLQK C46H86N10O10 938.6529 NA PeJP NA NA +PJ090329 ALLLLLKR C45H86N12O9 938.6641 NA PeJP NA NA +PJ090330 VLLLLLKK C47H90N10O9 938.6893 NA PeJP NA NA +C15955 Thermocryptoxanthin-15 C61H94O7 938.7 NA KEGG NA NA +HMDB05401 TG(18:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C61H110O6 938.83026 http://www.hmdb.ca/metabolites/HMDB05401 HMDB NA NA +HMDB05470 TG(18:2(9Z,12Z)/20:1(11Z)/20:1(11Z))[iso3] C61H110O6 938.83026 http://www.hmdb.ca/metabolites/HMDB05470 HMDB NA NA +HMDB05401 TG(18:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C61H110O6 938.83026 HMDB05401 PFEM_hmdb_metabocards_official NA NA +HMDB05470 TG(18:2(9Z,12Z)/20:1(11Z)/20:1(11Z))[iso3] C61H110O6 938.83026 HMDB05470 PFEM_hmdb_metabocards_official NA NA +HMDB05401 TG(18:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] C61H110O6 938.830261 NA HMDB2010 NA NA +HMDB05470 TG(18:2(9Z,12Z)/20:1(11Z)/20:1(11Z))[iso3] C61H110O6 938.830261 NA HMDB2010 NA NA +MJ098213 2,4-Dichlorobenzoyl-CoA C28H38Cl2N7O17P3S 939.063478 NA MeJP NA NA +MetaCyc04332 2,4-dichlorobenzoyl-CoA [] C28H38N7O17P3S1CL2 939.063478 NA metacyc NA NA +C06671 2,4-Dichlorobenzoyl-CoA C28H38Cl2N7O17P3S 939.0635 NA KEGG NA NA +PJ090331 PCCCCCCCC C29H49N9O10S8 939.1369 NA PeJP NA NA +PJ090332 GCCCCCCDM C29H49N9O12S7 939.1546 NA PeJP NA NA +PJ090333 SSCCCCCCE C29H49N9O14S6 939.1724 NA PeJP NA NA +PJ090334 GSCCCCCMM C30H53N9O11S7 939.191 NA PeJP NA NA +PJ090335 CCCCCNEY C33H49N9O13S5 939.2054 NA PeJP NA NA +PJ090336 SSTCCCCCM C30H53N9O13S6 939.2087 NA PeJP NA NA +PJ090337 GPCCCCCDH C32H49N11O12S5 939.2166 NA PeJP NA NA +PJ090338 GCCCCCYW C37H49N9O10S5 939.2206 NA PeJP NA NA +PJ090339 GSSCCCCDY C33H49N9O15S4 939.2231 NA PeJP NA NA +PJ090340 CCCCCQMF C34H53N9O10S6 939.224 NA PeJP NA NA +PJ090341 CCCNDDMH C32H49N11O14S4 939.2344 NA PeJP NA NA +PJ090342 CCCCCCFR C33H53N11O9S6 939.2352 NA PeJP NA NA +PJ090343 CNDDDDDE C32H45N9O22S 939.24 NA PeJP NA NA +PJ090344 SCCCCQMY C34H53N9O12S5 939.2418 NA PeJP NA NA +PJ090345 GSCCCCNNH C31H49N13O13S4 939.2456 NA PeJP NA NA +PJ090346 GCCCCEHW C36H49N11O11S4 939.2496 NA PeJP NA NA +PJ090347 GSSCCCDEH C32H49N11O16S3 939.2521 NA PeJP NA NA +PJ090348 GGGGGPCCCDD C32H49N11O16S3 939.2522 NA PeJP NA NA +PJ090349 SCCCCCRY C33H53N11O11S5 939.253 NA PeJP NA NA +PJ090350 GCDDDDDW C36H45N9O19S 939.2553 NA PeJP NA NA +PJ090351 GCCCNDYY C37H49N9O14S3 939.2561 NA PeJP NA NA +PJ090352 GGGCCCDYY C37H49N9O14S3 939.2562 NA PeJP NA NA +PJ090353 GSSDDDDDD C32H45N9O24 939.2578 NA PeJP NA NA +PJ090354 GSPCCDDDE C33H49N9O19S2 939.2587 NA PeJP NA NA +PJ090355 GSSSCCCMY C34H53N9O14S4 939.2595 NA PeJP NA NA +PJ090356 CCCCCKMF C35H57N9O9S6 939.2604 NA PeJP NA NA +PJ090357 CCCCHWW C40H49N11O8S4 939.2649 NA PeJP NA NA +PJ090358 SSCCCDHW C36H49N11O13S3 939.2674 NA PeJP NA NA +PJ090359 SSSSCCDDH C32H49N11O18S2 939.2699 NA PeJP NA NA +PJ090360 SCCNDMMH C33H53N11O13S4 939.2708 NA PeJP NA NA +PJ090361 SPCCDDDW C37H49N9O16S2 939.2739 NA PeJP NA NA +PJ090362 PPCCCCEW C38H53N9O11S4 939.2748 NA PeJP NA NA +PJ090363 SNDDDDEM C33H49N9O21S 939.2764 NA PeJP NA NA +PJ090364 SSSSTCCCY C34H53N9O16S3 939.2773 NA PeJP NA NA +PJ090365 SCCCCKMY C35H57N9O11S5 939.2781 NA PeJP NA NA +PJ090366 SPPPCCCCM C35H57N9O11S5 939.2782 NA PeJP NA NA +PJ090367 GSCCNNNND C31H49N13O17S2 939.2811 NA PeJP NA NA +PJ090368 GGGGGGGGGSCCD C31H49N13O17S2 939.2812 NA PeJP NA NA +PJ090369 CDDMMYY C39H53N7O14S3 939.2813 NA PeJP NA NA +PJ090370 SCCCCEHR C32H53N13O12S4 939.282 NA PeJP NA NA +MJ098214 Cochinmicin I; 2-Epimer, 17-hydroxy, 5''-chloro C46H46ClN7O13 939.284212 NA MeJP NA NA +PJ090371 GCCNNDEW C36H49N11O15S2 939.2851 NA PeJP NA NA +PJ090372 GGGCCNDEW C36H49N11O15S2 939.2852 NA PeJP NA NA +PJ090373 CMMMMMY C37H61N7O9S6 939.2855 NA PeJP NA NA +PJ090374 GTCCCMHW C37H53N11O10S4 939.286 NA PeJP NA NA +PJ090375 GSSCNNDDE C32H49N11O20S 939.2876 NA PeJP NA NA +PJ090376 SCDDDDDR C32H49N11O20S 939.2877 NA PeJP NA NA +PJ090377 PCCCDDER C33H53N11O15S3 939.2885 NA PeJP NA NA +PJ090378 GCCQMMMH C34H57N11O10S5 939.2894 NA PeJP NA NA +PJ090379 SCCCNHHH C34H49N15O11S3 939.2899 NA PeJP NA NA +PJ090380 GSDDDDMW C37H49N9O18S 939.2917 NA PeJP NA NA +PJ090381 GPCCDEMW C38H53N9O13S3 939.2925 NA PeJP NA NA +PJ090382 GSSSDDDEE C33H49N9O23 939.2942 NA PeJP NA NA +PJ090383 GNDDEEMM C34H53N9O18S2 939.295 NA PeJP NA NA +PJ090384 GGGDDEEMM C34H53N9O18S2 939.2951 NA PeJP NA NA +PJ090385 CDDDFYY C42H49N7O16S 939.2957 NA PeJP NA NA +PJ090386 GSPPCCDMM C35H57N9O13S4 939.2959 NA PeJP NA NA +PJ090387 PCCNDDHH C35H49N13O14S2 939.2964 NA PeJP NA NA +PJ090388 CCNNNNQM C32H53N13O14S3 939.2997 NA PeJP NA NA +PJ090389 GGGGCCNNQM C32H53N13O14S3 939.2998 NA PeJP NA NA +PJ090390 CDMMMFY C40H57N7O11S4 939.2999 NA PeJP NA NA +PJ090391 CCNNDWW C40H49N11O12S2 939.3004 NA PeJP NA NA +PJ090392 GCCCMMHR C33H57N13O9S5 939.3006 NA PeJP NA NA +PJ090393 SSCNNDDW C36H49N11O17S 939.3029 NA PeJP NA NA +PJ090394 SSSCCMHW C37H53N11O12S3 939.3038 NA PeJP NA NA +PJ090395 SSSSNNDDD C32H49N11O22 939.3054 NA PeJP NA NA +PJ090396 GCDDDEMR C33H53N11O17S2 939.3063 NA PeJP NA NA +PJ090397 SCDDEWW C41H49N9O15S 939.3069 NA PeJP NA NA +PJ090398 SSCNMMMH C34H57N11O12S4 939.3071 NA PeJP NA NA +PJ090399 GGGGPCCQMM C34H57N11O12S4 939.3072 NA PeJP NA NA +PJ090400 PCCDMWW C42H53N9O10S3 939.3078 NA PeJP NA NA +PJ090401 SSSDDDEW C37H49N9O20 939.3094 NA PeJP NA NA +PJ090402 NDDEMMW C38H53N9O15S2 939.3103 NA PeJP NA NA +PJ090403 CCCNNNNR C31H53N15O13S3 939.311 NA PeJP NA NA +PJ090404 PPTCCCMW C39H57N9O10S4 939.3112 NA PeJP NA NA +PJ090405 SSNDEEEM C34H53N9O20S 939.3128 NA PeJP NA NA +PJ090406 SDDDYYY C42H49N7O18 939.3134 NA PeJP NA NA +PJ090407 SPNDDMMM C35H57N9O15S3 939.3137 NA PeJP NA NA +PJ090408 GNDDDMHH C35H49N13O16S 939.3141 NA PeJP NA NA +PJ090409 GGGDDDMHH C35H49N13O16S 939.3142 NA PeJP NA NA +PJ090410 PCCEYYY C43H53N7O13S2 939.3143 NA PeJP NA NA +PJ090411 EMMMMMH C36H61N9O10S5 939.3145 NA PeJP NA NA +PJ090412 GCCCDHFR C36H53N13O11S3 939.315 NA PeJP NA NA +PJ090413 SCCNNDER C32H53N13O16S2 939.3175 NA PeJP NA NA +PJ090414 SDMMMYY C40H57N7O13S3 939.3177 NA PeJP NA NA +PJ090415 STCCCMHR C33H57N13O11S4 939.3184 NA PeJP NA NA +PJ090416 CMMMMFF C41H61N7O8S5 939.3186 NA PeJP NA NA +PJ090417 CCNMHFW C41H53N11O9S3 939.319 NA PeJP NA NA +PJ090418 GNNNDDEY C36H49N11O19 939.3207 NA PeJP NA NA +PJ090419 CDDDMRW C37H53N11O14S2 939.3215 NA PeJP NA NA +PJ090420 GGGGGGPCCEF C37H53N11O14S2 939.3216 NA PeJP NA NA +PJ090421 PCCCCKHF C38H57N11O9S4 939.3224 NA PeJP NA NA +PJ090422 SSDDDDMR C33H53N11O19S 939.324 NA PeJP NA NA +PJ090423 NDDDEFW C41H49N9O17 939.3247 NA PeJP NA NA +PJ090424 SPCCDEMR C34H57N11O14S3 939.3249 NA PeJP NA NA +PJ090425 SCNNNDHH C34H49N15O15S 939.3254 NA PeJP NA NA +PJ090426 VCCDEWW C42H53N9O12S2 939.3255 NA PeJP NA NA +PJ090427 GDDMMWW C42H53N9O12S2 939.3256 NA PeJP NA NA +PJ090428 PPCCCMMR C35H61N11O9S5 939.3258 NA PeJP NA NA +PJ090429 SSVCDDEW C38H53N9O17S 939.328 NA PeJP NA NA +PJ090430 GSSDEEMW C38H53N9O17S 939.3281 NA PeJP NA NA +PJ090431 GSPCEMMW C39H57N9O12S3 939.3289 NA PeJP NA NA +PJ090432 CNDEHHW C39H49N13O13S 939.3294 NA PeJP NA NA +PJ090433 ASSSSDEEE C34H53N9O22 939.3305 NA PeJP NA NA +PJ090434 GSSSSEEEE C34H53N9O22 939.3306 NA PeJP NA NA +PJ090435 GSQEEEMM C35H57N9O17S2 939.3314 NA PeJP NA NA +PJ090436 SSNDDEHH C35H49N13O18 939.3319 NA PeJP NA NA +PJ090437 GDEMYYY C43H53N7O15S 939.3321 NA PeJP NA NA +PJ090438 GPNEMMMM C36H61N9O12S4 939.3323 NA PeJP NA NA +PJ090439 GSCCNDRW C36H53N13O13S2 939.3328 NA PeJP NA NA +PJ090440 CDMMFFF C44H57N7O10S3 939.3329 NA PeJP NA NA +PJ090441 EEEEEEF C39H53N7O20 939.3346 NA PeJP NA NA +PJ090442 SSSSCNNNQ C32H53N13O18S 939.3352 NA PeJP NA NA +PJ090443 GSSSCNDDR C32H53N13O18S 939.3353 NA PeJP NA NA +PJ090444 NNNDDYW C40H49N11O16 939.3359 NA PeJP NA NA +PJ090445 GCNNDMMR C33H57N13O13S3 939.3361 NA PeJP NA NA +PJ090446 GGGGGCDMMR C33H57N13O13S3 939.3362 NA PeJP NA NA +PJ090447 AMMMMYY C41H61N7O10S4 939.3363 NA PeJP NA NA +PJ090448 SCNNMWW C41H53N11O11S2 939.3368 NA PeJP NA NA +PJ090449 SSSNNDMW C37H53N11O16S 939.3393 NA PeJP NA NA +PJ090450 GDDDFWW C45H49N9O14 939.3399 NA PeJP NA NA +PJ090451 NNNMMMW C38H57N11O11S3 939.3401 NA PeJP NA NA +PJ090452 GGNNMMMW C38H57N11O11S3 939.3402 NA PeJP NA NA +PJ090453 CEMWWW C46H53N9O9S2 939.3408 NA PeJP NA NA +PJ090454 SSSSSNNEE C33H53N11O21 939.3418 NA PeJP NA NA +PJ090455 SSSSSSMMH C34H57N11O16S2 939.3426 NA PeJP NA NA +PJ090456 GSDDEMMR C34H57N11O16S2 939.3427 NA PeJP NA NA +PJ090457 SSDEMWW C42H53N9O14S 939.3433 NA PeJP NA NA +PJ090458 GPCDMMMR C35H61N11O11S4 939.3435 NA PeJP NA NA +PJ090459 GCNNQMHH C35H53N15O12S2 939.344 NA PeJP NA NA +PJ090460 SPCMMWW C43H57N9O9S3 939.3442 NA PeJP NA NA +PJ090461 GCDHHWW C43H49N13O10S 939.3447 NA PeJP NA NA +PJ090462 SSSSEEEW C38H53N9O19 939.3458 NA PeJP NA NA +PJ090463 SQEEMMW C39H57N9O14S2 939.3467 NA PeJP NA NA +PJ090464 GSSDDHHW C39H49N13O15 939.3472 NA PeJP NA NA +PJ090465 DMYYYW C47H53N7O12S 939.3473 NA PeJP NA NA +PJ090466 GCCCNERR C32H57N15O12S3 939.3474 NA PeJP NA NA +PJ090467 PNMMMMW C40H61N9O9S4 939.3475 NA PeJP NA NA +PJ090468 GGPMMMMW C40H61N9O9S4 939.3476 NA PeJP NA NA +PJ090469 GPTCCHHW C40H53N13O10S2 939.348 NA PeJP NA NA +PJ090470 SSTQEEEM C35H57N9O19S 939.3492 NA PeJP NA NA +PJ090471 SSEEYYY C43H53N7O17 939.3498 NA PeJP NA NA +PJ090472 SSPQEMMM C36H61N9O14S3 939.35 NA PeJP NA NA +PJ090473 AAQEEMMM C36H61N9O14S3 939.3501 NA PeJP NA NA +PJ090474 GNNNNNMY C36H53N13O15S 939.3505 NA PeJP NA NA +PJ090475 GGGGGGGGGGGMY C36H53N13O15S 939.3506 NA PeJP NA NA +PJ090476 PTCMYYY C44H57N7O12S2 939.3507 NA PeJP NA NA +PJ090477 PPCCKMMM C37H65N9O9S5 939.3509 NA PeJP NA NA +PJ090478 CCNQMRW C37H57N13O10S3 939.3514 NA PeJP NA NA +PJ090479 CCHHFFF C45H53N11O8S2 939.352 NA PeJP NA NA +PJ090480 GSSSSSSNNN C32H53N13O20 939.353 NA PeJP NA NA +PJ090481 SSCNNEMR C33H57N13O15S2 939.3539 NA PeJP NA NA +PJ090482 TTMMMYY C41H61N7O12S3 939.3541 NA PeJP NA NA +PJ090483 GSSSCQWW C41H53N11O13S 939.3545 NA PeJP NA NA +PJ090484 GGGGGSPCYW C41H53N11O13S 939.3546 NA PeJP NA NA +PJ090485 PCCCCQKR C34H61N13O10S4 939.3548 NA PeJP NA NA +PJ090486 GCCNNHHR C34H53N17O11S2 939.3552 NA PeJP NA NA +PJ090487 GGGGGCCHHR C34H53N17O11S2 939.3553 NA PeJP NA NA +PJ090488 GSSSSSNEW C37H53N11O18 939.357 NA PeJP NA NA +PJ090489 GGDDEERY C37H53N11O18 939.3571 NA PeJP NA NA +PJ090490 SDDMMRW C38H57N11O13S2 939.3579 NA PeJP NA NA +PJ090491 DEEHHHH C38H49N15O14 939.3584 NA PeJP NA NA +PJ090492 GPCEYWW C46H53N9O11S 939.3586 NA PeJP NA NA +PJ090493 SSSDEEMR C34H57N11O18S 939.3604 NA PeJP NA NA +PJ090494 GSSSNYYY C42H53N9O16 939.361 NA PeJP NA NA +PJ090495 GQEEEYW C42H53N9O16 939.3611 NA PeJP NA NA +PJ090496 NEEMMMR C35H61N11O13S3 939.3613 NA PeJP NA NA +PJ090497 SSNNNMHH C35H53N15O14S 939.3617 NA PeJP NA NA +PJ090498 GSCDEHHR C35H53N15O14S 939.3618 NA PeJP NA NA +PJ090499 GTEMMWW C43H57N9O11S2 939.3619 NA PeJP NA NA +PJ090500 CCCNRRW C36H57N15O9S3 939.3626 NA PeJP NA NA +PJ090501 GSTTEEMW C39H57N9O16S 939.3644 NA PeJP NA NA +PJ090502 GGAAEEEMF C39H57N9O16S 939.3645 NA PeJP NA NA +PJ090503 GPDYYYY C47H53N7O14 939.3651 NA PeJP NA NA +PJ090504 VNEMMMW C40H61N9O11S3 939.3653 NA PeJP NA NA +PJ090505 SNEMHHW C40H53N13O12S 939.3658 NA PeJP NA NA +PJ090506 MMFYYW C48H57N7O9S2 939.3659 NA PeJP NA NA +PJ090507 GSSTTTEEE C35H57N9O21 939.3669 NA PeJP NA NA +PJ090508 GSKEEEMM C36H61N9O16S2 939.3678 NA PeJP NA NA +PJ090509 GSNNDDRY C36H53N13O17 939.3683 NA PeJP NA NA +PJ090510 ATEMYYY C44H57N7O14S 939.3684 NA PeJP NA NA +PJ090511 GPDKMMMM C37H65N9O11S4 939.3687 NA PeJP NA NA +PJ090512 GSSCNMRW C37H57N13O12S2 939.3691 NA PeJP NA NA +PJ090513 GGGSSCMRW C37H57N13O12S2 939.3692 NA PeJP NA NA +PJ090514 AMMMFFY C45H61N7O9S3 939.3693 NA PeJP NA NA +PJ090515 GSNDHHHH C37H49N17O13 939.3696 NA PeJP NA NA +PJ090516 GCNQFWW C45H53N11O10S 939.3698 NA PeJP NA NA +PJ090517 LEEEEEY C40H57N7O19 939.371 NA PeJP NA NA +PJ090518 GSSSSNDMR C33H57N13O17S 939.3716 NA PeJP NA NA +PJ090519 GGGSSSSDMR C33H57N13O17S 939.3717 NA PeJP NA NA +PJ090520 SSSSSNWW C41H53N11O15 939.3723 NA PeJP NA NA +PJ090521 CDEMMRR C34H61N13O12S3 939.3725 NA PeJP NA NA +PJ090522 SCCQKWW C42H57N11O10S2 939.3732 NA PeJP NA NA +PJ090523 PCYWWW C50H53N9O8S 939.3738 NA PeJP NA NA +PJ090524 SSSSQQMW C38H57N11O15S 939.3757 NA PeJP NA NA +PJ090525 QEEYWW C46H53N9O13 939.3763 NA PeJP NA NA +PJ090526 GEMMMRW C39H61N11O10S3 939.3765 NA PeJP NA NA +PJ090527 GGGACKMMW C39H61N11O10S3 939.3766 NA PeJP NA NA +PJ090528 SCDHHRW C39H53N15O11S 939.377 NA PeJP NA NA +PJ090529 TMMWWW C47H57N9O8S2 939.3772 NA PeJP NA NA +PJ090530 SSSSSTQQE C34H57N11O20 939.3781 NA PeJP NA NA +PJ090531 SSSSSNDKE C34H57N11O20 939.3782 NA PeJP NA NA +PJ090532 GSTEEMMR C35H61N11O15S2 939.379 NA PeJP NA NA +PJ090533 GGGGSSKEMM C35H61N11O15S2 939.3791 NA PeJP NA NA +PJ090534 SSSDDHHR C35H53N15O16 939.3795 NA PeJP NA NA +PJ090535 GGGGGGGGGAAEH C35H53N15O16 939.3796 NA PeJP NA NA +PJ090536 STTEMWW C43H57N9O13S 939.3797 NA PeJP NA NA +PJ090537 GSPMMMMR C36H65N11O10S4 939.3799 NA PeJP NA NA +PJ090538 DFFYYW C51H53N7O11 939.3803 NA PeJP NA NA +PJ090539 NDMMHHR C36H57N15O11S2 939.3804 NA PeJP NA NA +PJ090540 GVMMMWW C44H61N9O8S3 939.3806 NA PeJP NA NA +PJ090541 GSMHHWW C44H53N13O9S 939.381 NA PeJP NA NA +PJ090542 SSTTTEEW C39H57N9O18 939.3822 NA PeJP NA NA +PJ090543 SKEEMMW C40H61N9O13S2 939.3831 NA PeJP NA NA +PJ090544 PDDDHRW C40H53N13O14 939.3835 NA PeJP NA NA +PJ090545 GGGGGGGNNFF C40H53N13O14 939.3836 NA PeJP NA NA +PJ090546 GPMFYYY C48H57N7O11S 939.3837 NA PeJP NA NA +PJ090547 GSCCQMRR C33H61N15O11S3 939.3838 NA PeJP NA NA +PJ090548 LMMMMHF C41H65N9O8S4 939.3839 NA PeJP NA NA +PJ090549 AQMMHHW C41H57N13O9S2 939.3844 NA PeJP NA NA +PJ090550 SSSPTTTEM C36H61N9O18S 939.3855 NA PeJP NA NA +PJ090551 SSTKEEEM C36H61N9O18S 939.3856 NA PeJP NA NA +PJ090552 TTTEYYY C44H57N7O16 939.3862 NA PeJP NA NA +PJ090553 AAKEEMMM C37H65N9O13S3 939.3864 NA PeJP NA NA +PJ090554 SSSSCQRW C37H57N13O14S 939.3869 NA PeJP NA NA +PJ090555 GLMMYYY C45H61N7O11S2 939.3871 NA PeJP NA NA +PJ090556 GSNQYWW C45H53N11O12 939.3875 NA PeJP NA NA +PJ090557 DDRYWW C45H53N11O12 939.3876 NA PeJP NA NA +PJ090558 CCNKMRW C38H61N13O9S3 939.3878 NA PeJP NA NA +PJ090559 NQMHHHH C38H53N17O10S 939.3882 NA PeJP NA NA +PJ090560 GGQMHHHH C38H53N17O10S 939.3883 NA PeJP NA NA +PJ090561 SSSSSSNER C33H57N13O19 939.3894 NA PeJP NA NA +PJ090562 SSSNQMMR C34H61N13O14S2 939.3903 NA PeJP NA NA +PJ090563 GNNNNDHR C34H53N17O15 939.3907 NA PeJP NA NA +PJ090564 GGGNNNDHR C34H53N17O15 939.3908 NA PeJP NA NA +PJ090565 GSSSCKWW C42H57N11O12S 939.3909 NA PeJP NA NA +PJ090566 GGGGGGGPMFF C42H57N11O12S 939.391 NA PeJP NA NA +PJ090567 PCCCCKKR C35H65N13O9S4 939.3912 NA PeJP NA NA +MJ098215 Cob(I)yrinate a,c diamide C45H64CoN6O12 939.391421 NA MeJP NA NA +MJ098216 Cob(II)yrinate a,c diamide C45H64CoN6O12 939.391421 NA MeJP NA NA +PJ090568 AEYWWW C50H53N9O10 939.3916 NA PeJP NA NA +PJ090569 MMMRWW C43H61N11O7S3 939.3918 NA PeJP NA NA +C04904 N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy- C37H61N7O21 939.3921 NA KEGG NA NA +PJ090570 GSSSSSDKW C38H57N11O17 939.3934 NA PeJP NA NA +PJ090571 GGGGGSPPPEE C38H57N11O17 939.3935 NA PeJP NA NA +PJ090572 STEMMRW C39H61N11O12S2 939.3943 NA PeJP NA NA +PJ090573 NNNQQHW C39H53N15O13 939.3948 NA PeJP NA NA +PJ090574 GPTMYWW C47H57N9O10S 939.3949 NA PeJP NA NA +PJ090575 GVDMFWW C47H57N9O10S 939.395 NA PeJP NA NA +PJ090576 ACMHHRW C40H57N15O8S2 939.3956 NA PeJP NA NA +PJ090577 SSTTEEMR C35H61N11O17S 939.3968 NA PeJP NA NA +PJ090578 SVQEEYW C43H57N9O15 939.3974 NA PeJP NA NA +PJ090579 GKEEEYW C43H57N9O15 939.3975 NA PeJP NA NA +PJ090580 DKEMMMR C36H65N11O12S3 939.3977 NA PeJP NA NA +PJ090581 CNNDRRY C36H57N15O13S 939.3981 NA PeJP NA NA +PJ090582 GGGGCDRRY C36H57N15O13S 939.3982 NA PeJP NA NA +PJ090583 SSLMMWW C44H61N9O10S2 939.3983 NA PeJP NA NA +PJ090584 SSTHHWW C44H53N13O11 939.3988 NA PeJP NA NA +PJ090585 MFFFYW C52H57N7O8S 939.399 NA PeJP NA NA +PJ090586 CNHHHHR C37H53N19O9S 939.3995 NA PeJP NA NA +PJ090587 SSSTLEMW C40H61N9O15S 939.4008 NA PeJP NA NA +PJ090588 APTYYYY C48H57N7O13 939.4015 NA PeJP NA NA +PJ090589 VDKMMMW C41H65N9O10S3 939.4017 NA PeJP NA NA +PJ090590 ACNQRYW C41H57N13O11S 939.4021 NA PeJP NA NA +PJ090591 GNNMRYW C41H57N13O11S 939.4022 NA PeJP NA NA +PJ090592 AMMFFFF C49H61N7O8S2 939.4023 NA PeJP NA NA +PJ090593 PEHWWW C49H53N11O9 939.4028 NA PeJP NA NA +PJ090594 SSSSTTLEE C36H61N9O20 939.4033 NA PeJP NA NA +PJ090595 ATTKEEMM C37H65N9O15S2 939.4042 NA PeJP NA NA +PJ090596 SSNNNNKY C37H57N13O16 939.4046 NA PeJP NA NA +PJ090597 GSSSSSSRW C37H57N13O16 939.4047 NA PeJP NA NA +PJ090598 STLMYYY C45H61N7O13S 939.4048 NA PeJP NA NA +PJ090599 APTKMMMM C38H69N9O10S4 939.4051 NA PeJP NA NA +PJ090600 GSTCCKRW C38H61N13O11S2 939.4055 NA PeJP NA NA +PJ090601 GGGGGAMMFR C38H61N13O11S2 939.4056 NA PeJP NA NA +PJ090602 GSTQHHHH C38H53N17O12 939.406 NA PeJP NA NA +PJ090603 DMFRWW C46H57N11O9S 939.4062 NA PeJP NA NA +PJ090604 GSSSSTQMR C34H61N13O16S 939.408 NA PeJP NA NA +PJ090605 GTEERYW C42H57N11O14 939.4087 NA PeJP NA NA +PJ090606 SEMMMRR C35H65N13O11S3 939.4089 NA PeJP NA NA +PJ090607 SCCKKWW C43H61N11O9S2 939.4095 NA PeJP NA NA +PJ090608 GPMMRYW C43H61N11O9S2 939.4096 NA PeJP NA NA +PJ090609 PEHHHHF C43H53N15O10 939.41 NA PeJP NA NA +PJ090610 CLFWWW C51H57N9O7S 939.4102 NA PeJP NA NA +PJ090611 SSSSQKMW C39H61N11O14S 939.412 NA PeJP NA NA +PJ090612 GGSSSTKMW C39H61N11O14S 939.4121 NA PeJP NA NA +PJ090613 KEEYWW C47H57N9O12 939.4127 NA PeJP NA NA +PJ090614 SVMMMRW C40H65N11O9S3 939.4129 NA PeJP NA NA +PJ090615 SSMHHRW C40H57N15O10S 939.4134 NA PeJP NA NA +PJ090616 QHHFWW C48H53N13O8 939.414 NA PeJP NA NA +PJ090617 GAHHFWW C48H53N13O8 939.4141 NA PeJP NA NA +PJ090618 SSSSSTQKE C35H61N11O19 939.4145 NA PeJP NA NA +PJ090619 GGSSSSTTKE C35H61N11O19 939.4146 NA PeJP NA NA +PJ090620 SSSLEMMR C36H65N11O14S2 939.4154 NA PeJP NA NA +PJ090621 SSSTEHHR C36H57N15O15 939.4159 NA PeJP NA NA +PJ090622 SPKEMYW C44H61N9O12S 939.4161 NA PeJP NA NA +PJ090623 LQMMMMR C37H69N11O9S4 939.4163 NA PeJP NA NA +PJ090624 VFYYYW C52H57N7O10 939.4167 NA PeJP NA NA +PJ090625 CNNMFRR C37H61N15O10S2 939.4168 NA PeJP NA NA +PJ090626 CLHHHFF C45H57N13O8S 939.4174 NA PeJP NA NA +PJ090627 TTTTTTEW C40H61N9O17 939.4186 NA PeJP NA NA +PJ090628 GSSSSTCRR C33H61N15O15S 939.4193 NA PeJP NA NA +PJ090629 GTTTLMMW C41H65N9O12S2 939.4194 NA PeJP NA NA +PJ090630 AAPKEMMY C41H65N9O12S2 939.4195 NA PeJP NA NA +PJ090631 SSNQRYW C41H57N13O13 939.4199 NA PeJP NA NA +PJ090632 GGGGGGGAAPPW C41H57N13O13 939.42 NA PeJP NA NA +PJ090633 GLMFFYY C49H61N7O10S 939.4201 NA PeJP NA NA +PJ090634 AKMMHHW C42H61N13O8S2 939.4208 NA PeJP NA NA +PJ090635 TTTTKEEM C37H65N9O17S 939.4219 NA PeJP NA NA +PJ090636 GTLKEMMM C38H69N9O12S3 939.4228 NA PeJP NA NA +PJ090637 SSSSCKRW C38H61N13O13S 939.4233 NA PeJP NA NA +PJ090638 TERYWW C46H57N11O11 939.4239 NA PeJP NA NA +PJ090639 GGGSPPPWW C46H57N11O11 939.424 NA PeJP NA NA +PJ090640 PCMMFRR C39H65N13O8S3 939.4242 NA PeJP NA NA +PJ090641 GPPCHHHR C39H57N17O9S 939.4246 NA PeJP NA NA +PJ090642 SSSSSSDKR C34H61N13O18 939.4258 NA PeJP NA NA +PJ090643 SSSNKMMR C35H65N13O13S2 939.4267 NA PeJP NA NA +PJ090644 NNDEHRR C35H57N17O14 939.4271 NA PeJP NA NA +PJ090645 GGGGGGGTQHR C35H57N17O14 939.4272 NA PeJP NA NA +PJ090646 GVEMRYW C43H61N11O11S 939.4273 NA PeJP NA NA +PJ090647 CLMMMRR C36H69N13O8S4 939.4275 NA PeJP NA NA +PJ090648 SLYWWW C51H57N9O9 939.4279 NA PeJP NA NA +PJ090649 VTYWWW C51H57N9O9 939.428 NA PeJP NA NA +PJ090650 GSSSSTTKW C39H61N11O16 939.4298 NA PeJP NA NA +3130 ester transferases inhibitor WRMWYV 939.4304 celiac toxic Inhouse_peptide NA peptide +PJ090651 GSTCKKMW C40H65N11O11S2 939.4307 NA PeJP NA NA +PJ090652 GQQEHRW C40H57N15O12 939.4311 NA PeJP NA NA +PJ090653 GGAQEHRW C40H57N15O12 939.4312 NA PeJP NA NA +PJ090654 AALMYWW C48H61N9O9S 939.4313 NA PeJP NA NA +PJ090655 FFFFFW C56H57N7O7 939.432 NA PeJP NA NA +PJ090656 VHHHHHH C41H53N19O8 939.4325 NA PeJP NA NA +PJ090657 TTTTTEMR C36H65N11O16S 939.4332 NA PeJP NA NA +PJ090658 SVKEEYW C44H61N9O14 939.4338 NA PeJP NA NA +PJ090659 GGAALEEFF C44H61N9O14 939.4339 NA PeJP NA NA +PJ090660 GTTLMMMR C37H69N11O11S3 939.4341 NA PeJP NA NA +PJ090661 SNNMRRY C37H61N15O12S 939.4345 NA PeJP NA NA +PJ090662 PCLKMYW C45H65N9O9S2 939.4347 NA PeJP NA NA +PJ090663 GVQQHWW C45H57N13O10 939.4352 NA PeJP NA NA +PJ090664 SSSSSSSRR C33H61N15O17 939.437 NA PeJP NA NA +PJ090665 STTTTLMW C41H65N9O14S 939.4372 NA PeJP NA NA +PJ090666 GVLYYYY C49H61N7O12 939.4378 NA PeJP NA NA +PJ090667 SSTCCKRR C34H65N15O12S2 939.4379 NA PeJP NA NA +PJ090668 TLKMMMW C42H69N9O9S3 939.4381 NA PeJP NA NA +PJ090669 EMRRYW C42H61N13O10S 939.4385 NA PeJP NA NA +PJ090670 GGACKRYW C42H61N13O10S 939.4386 NA PeJP NA NA +PJ090671 APPHFWW C50H57N11O8 939.4392 NA PeJP NA NA +PJ090672 SSTTTTTLE C37H65N9O19 939.4397 NA PeJP NA NA +PJ090673 STTLKEMM C38H69N9O14S2 939.4406 NA PeJP NA NA +PJ090674 STEERRY C38H61N13O15 939.441 NA PeJP NA NA +PJ090675 GGGGSSSLRY C38H61N13O15 939.4411 NA PeJP NA NA +PJ090676 GVLKMMMM C39H73N9O9S4 939.4415 NA PeJP NA NA +PJ090677 SPMMRRY C39H65N13O10S2 939.4419 NA PeJP NA NA +PJ090678 GNDHRRW C39H57N17O11 939.4424 NA PeJP NA NA +PJ090679 VMRYWW C47H61N11O8S 939.4426 NA PeJP NA NA +PJ090680 GSSSSTKMR C35H65N13O15S 939.4444 NA PeJP NA NA +PJ090681 SSLERYW C43H61N11O13 939.4451 NA PeJP NA NA +PJ090682 GSCKKMMR C36H69N13O10S3 939.4453 NA PeJP NA NA +PJ090683 GSPCQHRR C36H61N17O11S 939.4458 NA PeJP NA NA +PJ090684 GLMMFRW C44H65N11O8S2 939.4459 NA PeJP NA NA +PJ090685 QQHRWW C44H57N15O9 939.4464 NA PeJP NA NA +PJ090686 SSSSKKMW C40H65N11O13S 939.4484 NA PeJP NA NA +PJ090687 GGAADKKMY C40H65N11O13S 939.4485 NA PeJP NA NA +PJ090688 ATTLYWW C48H61N9O11 939.4491 NA PeJP NA NA +PJ090689 PKMMMFR C41H69N11O8S3 939.4493 NA PeJP NA NA +PJ090690 PCNKHRW C41H61N15O9S 939.4498 NA PeJP NA NA +PJ090691 KHHFWW C49H57N13O7 939.4504 NA PeJP NA NA +PJ090692 SSSSSTKKE C36H65N11O18 939.4509 NA PeJP NA NA +PJ090693 STTTLMMR C37H69N11O13S2 939.4518 NA PeJP NA NA +PJ090694 GSSSQRRY C37H61N15O14 939.4523 NA PeJP NA NA +PJ090695 SLLQMYW C45H65N9O11S 939.4524 NA PeJP NA NA +PJ090696 ALKEMYW C45H65N9O11S 939.4525 NA PeJP NA NA +PJ090697 LKMMMMR C38H73N11O8S4 939.4527 NA PeJP NA NA +PJ090698 GLFFFFY C53H61N7O9 939.4531 NA PeJP NA NA +PJ090699 CCQKFRR C38H65N15O9S2 939.4532 NA PeJP NA NA +PJ090700 SSSSPVTLY C41H65N9O16 939.4549 NA PeJP NA NA +PJ090701 GTTLKEEY C41H65N9O16 939.455 NA PeJP NA NA +PJ090702 GPTLKMMY C42H69N9O11S2 939.4558 NA PeJP NA NA +PJ090703 SSNKRYW C42H61N13O12 939.4563 NA PeJP NA NA +PJ090704 APHHHRW C43H57N17O8 939.4576 NA PeJP NA NA +PJ090705 SSSTTTLLM C38H69N9O16S 939.4583 NA PeJP NA NA +PJ090706 SSLLKMMM C39H73N9O11S3 939.4592 NA PeJP NA NA +PJ090707 SVEMRRY C39H65N13O12S 939.4597 NA PeJP NA NA +PJ090708 GLLEHWW C47H61N11O10 939.4603 NA PeJP NA NA +PJ090709 GMHHFRR C40H61N17O8S 939.461 NA PeJP NA NA +PJ090710 SSSSSTTKR C35H65N13O17 939.4622 NA PeJP NA NA +PJ090711 SSTCKKMR C36H69N13O12S2 939.463 NA PeJP NA NA +PJ090712 SQQEHRR C36H61N17O13 939.4635 NA PeJP NA NA +PJ090713 ATLMRYW C44H65N11O10S 939.4637 NA PeJP NA NA +PJ090714 AALFFWW C52H61N9O8 939.4643 NA PeJP NA NA +PJ090715 GVVFFWW C52H61N9O8 939.4644 NA PeJP NA NA +PJ090716 GTTTLERY C40H65N11O15 939.4662 NA PeJP NA NA +PJ090717 VLQMMRY C41H69N11O10S2 939.4671 NA PeJP NA NA +PJ090718 PPNDRRW C41H61N15O11 939.4675 NA PeJP NA NA +PJ090719 GGPPDRRW C41H61N15O11 939.4676 NA PeJP NA NA +PJ090720 PCLKFFW C49H65N9O8S 939.4677 NA PeJP NA NA +PJ090721 GSSTTTKKM C37H69N11O15S 939.4696 NA PeJP NA NA +PJ090722 TTLKEYW C45H65N9O13 939.4702 NA PeJP NA NA +PJ090723 GSKKKMMM C38H73N11O10S3 939.4704 NA PeJP NA NA +PJ090724 SCQKRRY C38H65N15O11S 939.4709 NA PeJP NA NA +PJ090725 VVKMMFW C46H69N9O8S2 939.4711 NA PeJP NA NA +PJ090726 APPQRWW C46H61N13O9 939.4716 NA PeJP NA NA +PJ090727 LKKEEMY C42H69N9O13S 939.4736 NA PeJP NA NA +PJ090728 SNDHRRR C35H61N19O12 939.4748 NA PeJP NA NA +PJ090729 GCKKRYW C43H65N13O9S 939.4749 NA PeJP NA NA +PJ090730 LLHWWW C51H61N11O7 939.4756 NA PeJP NA NA +PJ090731 TTTTTTTTL C38H69N9O18 939.4761 NA PeJP NA NA +PJ090732 GSSDKKRY C39H65N13O14 939.4774 NA PeJP NA NA +PJ090733 GAAPPDKER C39H65N13O14 939.4775 NA PeJP NA NA +PJ090734 ALMMRRY C40H69N13O9S2 939.4783 NA PeJP NA NA +PJ090735 GTQHRRW C40H61N17O10 939.4788 NA PeJP NA NA +PJ090736 TTTLRYW C44H65N11O12 939.4814 NA PeJP NA NA +PJ090737 GGTTKKYW C44H65N11O12 939.4815 NA PeJP NA NA +PJ090738 VNQMHRR C37H65N17O10S 939.4821 NA PeJP NA NA +PJ090739 GGVQMHRR C37H65N17O10S 939.4822 NA PeJP NA NA +MJ098217 Tylosin B; 2A,3,4A,4C-Tetra-Ac C47H73NO18 939.482764 NA MeJP NA NA +PJ090740 QKHRWW C45H61N15O8 939.4828 NA PeJP NA NA +PJ090741 TLKEMRY C41H69N11O12S 939.4848 NA PeJP NA NA +PJ090742 GGGGAAPPLLM C41H69N11O12S 939.4849 NA PeJP NA NA +PJ090743 PPLLEWW C49H65N9O10 939.4855 NA PeJP NA NA +PJ090744 PPMHFRR C42H65N15O8S 939.4862 NA PeJP NA NA +PJ090745 SSSTTTTKK C37H69N11O17 939.4873 NA PeJP NA NA +PJ090746 SSTKKKMM C38H73N11O12S2 939.4882 NA PeJP NA NA +PJ090747 GSSSKRRY C38H65N15O13 939.4887 NA PeJP NA NA +PJ090748 SLLKMYW C46H69N9O10S 939.4888 NA PeJP NA NA +PJ090749 SPPPLLMW C46H69N9O10S 939.4889 NA PeJP NA NA +PJ090750 CCKKFRR C39H69N15O8S2 939.4895 NA PeJP NA NA +PJ090751 PTHHHRR C39H61N19O9 939.49 NA PeJP NA NA +PJ090752 SSTLLKEY C42H69N9O15 939.4913 NA PeJP NA NA +PJ090753 PPVLKEEE C42H69N9O15 939.4914 NA PeJP NA NA +PJ090754 AALLKMMY C43H73N9O10S2 939.4922 NA PeJP NA NA +PJ090755 SLLEHRW C43H65N13O11 939.4927 NA PeJP NA NA +PJ090756 GQMHRRR C36H65N19O9S 939.4934 NA PeJP NA NA +PJ090757 SQKKMRY C40H69N13O11S 939.496 NA PeJP NA NA +PJ090758 TTLMRRY C40H69N13O11S 939.4961 NA PeJP NA NA +PJ090759 SVLLHWW C48H65N11O9 939.4967 NA PeJP NA NA +PJ090760 GSPPDRRR C37H65N17O12 939.4999 NA PeJP NA NA +PJ090761 GKKKMYW C45H69N11O9S 939.5001 NA PeJP NA NA +PJ090762 SSTTLLRY C41H69N11O14 939.5026 NA PeJP NA NA +PJ090763 VLKMMRY C42H73N11O9S2 939.5035 NA PeJP NA NA +PJ090764 PPTQRRW C42H65N15O10 939.5039 NA PeJP NA NA +PJ090765 GCHRRRR C35H65N21O8S 939.5046 NA PeJP NA NA +PJ090766 SPPVLLEW C46H69N9O12 939.5066 NA PeJP NA NA +PJ090767 SCKKRRY C39H69N15O10S 939.5073 NA PeJP NA NA +PJ090768 APPKRWW C47H65N13O8 939.5079 NA PeJP NA NA +PJ090769 GVKKHWW C47H65N13O8 939.508 NA PeJP NA NA +PJ090770 ATTLLKMY C43H73N9O12S 939.51 NA PeJP NA NA +PJ090771 STQHRRR C36H65N19O11 939.5111 NA PeJP NA NA +PJ090772 GGGGPQRRR C36H65N19O11 939.5112 NA PeJP NA NA +PJ090773 VVLMHRW C44H69N13O8S 939.5113 NA PeJP NA NA +PJ090774 GSTTKKRY C40H69N13O13 939.5138 NA PeJP NA NA +PJ090775 GGGGGGGAPLLK C40H69N13O13 939.5139 NA PeJP NA NA +PJ090776 CKKKMFR C41H73N13O8S2 939.5147 NA PeJP NA NA +PJ090777 GTKHRRW C41H65N17O9 939.5152 NA PeJP NA NA +PJ090778 STKKKYW C45H69N11O11 939.5178 NA PeJP NA NA +PJ090779 GPPVKKEW C45H69N11O11 939.5179 NA PeJP NA NA +PJ090780 PPQMRRR C38H69N17O9S 939.5185 NA PeJP NA NA +MJ098218 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-L-arabinopyranosyl-(1?6)-2-acetamido-2-deoxy-?-D-glucopyranoside] C48H77NO17 939.51915 NA MeJP NA NA +PJ090781 KKHRWW C46H65N15O7 939.5192 NA PeJP NA NA +PJ090782 DKKKKMY C42H73N11O11S 939.5212 NA PeJP NA NA +PJ090783 ALLKFYW C50H69N9O9 939.5219 NA PeJP NA NA +PJ090784 SSPTKKHR C39H69N15O12 939.525 NA PeJP NA NA +PJ090785 GPPTKERR C39H69N15O12 939.5251 NA PeJP NA NA +PJ090786 APPLLLMW C47H73N9O9S 939.5252 NA PeJP NA NA +PJ090787 VVHHHRR C40H65N19O8 939.5264 NA PeJP NA NA +3059 Immunostimulating peptide YQQPVLGPVRGPFPIIV 939.527 MH2+ Inhouse_peptide NA peptide +PJ090788 TTTTLLKY C43H73N9O14 939.5277 NA PeJP NA NA +PJ090789 GGPLLLLEE C43H73N9O14 939.5278 NA PeJP NA NA +PJ090790 PPKKERW C44H69N13O10 939.5291 NA PeJP NA NA +PJ090791 PPCRRRR C37H69N19O8S 939.5298 NA PeJP NA NA +PJ090792 SKKKMRY C41H73N13O10S 939.5324 NA PeJP NA NA +PJ090793 GTLLLMHR C41H73N13O10S 939.5325 NA PeJP NA NA +PJ090794 PPVKKWW C49H69N11O8 939.5331 NA PeJP NA NA +PJ090795 PVQERRR C38H69N17O11 939.5363 NA PeJP NA NA +PJ090796 LLLKMHW C46H73N11O8S 939.5365 NA PeJP NA NA +PJ090797 SSSLKKKY C42H73N11O13 939.539 NA PeJP NA NA +PJ090798 KKKKMMF C43H77N11O8S2 939.5398 NA PeJP NA NA +PJ090799 PPTKRRW C43H69N15O9 939.5403 NA PeJP NA NA +PJ090800 GPLLLLEW C47H73N9O11 939.543 NA PeJP NA NA +PJ090801 GPPVKMRR C40H73N15O9S 939.5437 NA PeJP NA NA +PJ090802 PPLLLKEM C44H77N9O11S 939.5464 NA PeJP NA NA +PJ090803 APERRRR C37H69N19O10 939.5475 NA PeJP NA NA +PJ090804 STTLLLHR C41H73N13O12 939.5502 NA PeJP NA NA +PJ090805 LLKHHHR C42H69N17O8 939.5515 NA PeJP NA NA +PJ090806 GPLRRRW C42H69N17O8 939.5516 NA PeJP NA NA +PJ090807 APPTLKKW C46H73N11O10 939.5542 NA PeJP NA NA +PJ090808 PPKMRRR C39H73N17O8S 939.5549 NA PeJP NA NA +PJ090809 PPTLLLMR C43H77N11O10S 939.5576 NA PeJP NA NA +PJ090810 PLLLLWW C51H73N9O8 939.5583 NA PeJP NA NA +PJ090811 SSPPLKRR C40H73N15O11 939.5614 NA PeJP NA NA +PJ090812 AAPLKERR C40H73N15O11 939.5615 NA PeJP NA NA +PJ090813 PVLLLKEE C44H77N9O13 939.5641 NA PeJP NA NA +PJ090814 PLLQKRW C45H73N13O9 939.5655 NA PeJP NA NA +PJ090815 APPLKKMR C42H77N13O9S 939.5688 NA PeJP NA NA +PJ090816 PVKERRR C39H73N17O10 939.5727 NA PeJP NA NA +PJ090817 SPLLLLER C43H77N11O12 939.5754 NA PeJP NA NA +PJ090818 PVVKRRW C44H73N15O8 939.5767 NA PeJP NA NA +PJ090819 SPVLLLLW C48H77N9O10 939.5794 NA PeJP NA NA +PJ090820 LKKKMHR C41H77N15O8S 939.5801 NA PeJP NA NA +PJ090821 PLLLLLQM C45H81N9O10S 939.5828 NA PeJP NA NA +PJ090822 SPLRRRR C38H73N19O9 939.5839 NA PeJP NA NA +PJ090823 GPLLKKER C42H77N13O11 939.5866 NA PeJP NA NA +PJ090824 GPVLLKKW C47H77N11O9 939.5906 NA PeJP NA NA +PJ090825 PVVLLLMR C44H81N11O9S 939.594 NA PeJP NA NA +PJ090826 GPTLLKRR C41H77N15O10 939.5978 NA PeJP NA NA +PJ090827 VLLLLLQE C45H81N9O12 939.6005 NA PeJP NA NA +PJ090828 PLLKKRW C46H77N13O8 939.6018 NA PeJP NA NA +PJ090829 VLLQRRR C40H77N17O9 939.6091 NA PeJP NA NA +PJ090830 VVVLLLER C44H81N11O11 939.6117 NA PeJP NA NA +PJ090831 ALLLLLER C44H81N11O11 939.6118 NA PeJP NA NA +PJ090832 GLLLLLLW C49H81N9O9 939.6158 NA PeJP NA NA +PJ090833 PLLLLLKM C46H85N9O9S 939.6191 NA PeJP NA NA +PJ090834 ALLRRRR C39H77N19O8 939.6203 NA PeJP NA NA +PJ090835 SPVLLKKR C43H81N13O10 939.623 NA PeJP NA NA +MJ098219 Dunaimycin D2S; 19-Me ether C51H89NO14 939.628306 NA MeJP NA NA +PJ090836 AALLLKRR C42H81N15O9 939.6342 NA PeJP NA NA +PJ090837 VLLLLLKE C46H85N9O11 939.6369 NA PeJP NA NA +PJ090838 PKKKKRR C41H81N17O8 939.6454 NA PeJP NA NA +PJ090839 VLLKRRR C41H81N17O8 939.6455 NA PeJP NA NA +PJ090840 SLLLLLLR C45H85N11O10 939.6481 NA PeJP NA NA +PJ090841 GLLLLKKR C44H85N13O9 939.6594 NA PeJP NA NA +PJ090842 VVLLLKKK C46H89N11O9 939.6845 NA PeJP NA NA +MJ098220 1,2,3,4,6-Pentagalloylglucose C41H32O26 940.118181 NA MeJP NA NA +MJ098221 1,2,3,6-Tetragalloylglucose; ?-D-Pyranose-form, O-(3,4,5-Trihydroxybenzoyl)(1) C41H32O26 940.118181 NA MeJP NA NA +MJ098222 1,2,3,6-Tetragalloylglucose; ?-D-Pyranose-form, O-(3,4,5-Trihydroxybenzoyl)(2) C41H32O26 940.118181 NA MeJP NA NA +MJ098223 2,3,6-Trigalloylglucose; ?-D-Pyranose-form, Bis-(3,4,5-Trihydroxybenzoyl) C41H32O26 940.118181 NA MeJP NA NA +MetaCyc04333 1,2,3,4,6-pentakis-O-galloyl-β-D-glucose [] C41H32O26 940.118181 14937-32-7 metacyc NA NA +C04576 1,2,3,4,6-Pentakis-O-galloyl-beta-D-glucose C41H32O26 940.1182 NA KEGG NA NA +PJ090843 SCCCCCCCN C28H48N10O12S7 940.1498 NA PeJP NA NA +PJ090844 GGSCCCCCCC C28H48N10O12S7 940.1499 NA PeJP NA NA +PJ090845 CCCCCDEY C33H48N8O14S5 940.1894 NA PeJP NA NA +PJ090846 CCCCCEMF C34H52N8O11S6 940.208 NA PeJP NA NA +PJ090847 CCCDDDMH C32H48N10O15S4 940.2184 NA PeJP NA NA +PJ090848 CDDDDDDE C32H44N8O23S 940.2241 NA PeJP NA NA +PJ090849 SCCCCEMY C34H52N8O13S5 940.2258 NA PeJP NA NA +PJ090850 GSCCCCNDH C31H48N12O14S4 940.2296 NA PeJP NA NA +PJ090851 GPCCCNDDD C32H48N10O17S3 940.2362 NA PeJP NA NA +PJ090852 GCCCDDYY C37H48N8O15S3 940.2402 NA PeJP NA NA +PJ090853 PCCCCCFY C38H52N8O10S5 940.241 NA PeJP NA NA +PJ090854 GCCCMMMY C35H56N8O10S6 940.2444 NA PeJP NA NA +PJ090855 CCCCNQMH C32H52N12O11S5 940.2482 NA PeJP NA NA +PJ090856 GGCCCCQMH C32H52N12O11S5 940.2483 NA PeJP NA NA +PJ090857 CNNDDDDM C32H48N10O19S2 940.2539 NA PeJP NA NA +PJ090858 SCCDDMMH C33H52N10O14S4 940.2548 NA PeJP NA NA +PJ090859 SPCCCCYY C38H52N8O12S4 940.2588 NA PeJP NA NA +PJ090860 CCCCCNHR C31H52N14O10S5 940.2595 NA PeJP NA NA +PJ090861 SDDDDDEM C33H48N8O22S 940.2604 NA PeJP NA NA +PJ090862 PCDDDDMM C34H52N8O17S3 940.2613 NA PeJP NA NA +PJ090863 STCCCMMY C35H56N8O12S5 940.2622 NA PeJP NA NA +PJ090864 GSCCNNNDD C31H48N12O18S2 940.2651 NA PeJP NA NA +PJ090865 GGGGGSCCNDD C31H48N12O18S2 940.2652 NA PeJP NA NA +PJ090866 GSSCCCNMH C32H52N12O13S4 940.266 NA PeJP NA NA +PJ090867 GCCNDDEW C36H48N10O16S2 940.2692 NA PeJP NA NA +PJ090868 PCCCCEHF C37H52N10O11S4 940.27 NA PeJP NA NA +PJ090869 GSSCNDDDE C32H48N10O21S 940.2717 NA PeJP NA NA +PJ090870 GSPCCNDDM C33H52N10O16S3 940.2725 NA PeJP NA NA +PJ090871 GCCEMMMH C34H56N10O11S5 940.2734 NA PeJP NA NA +PJ090872 SCCCDHHH C34H48N14O12S3 940.2739 NA PeJP NA NA +PJ090873 PCDDDDDF C37H48N8O19S 940.2757 NA PeJP NA NA +PJ090874 GSCCDMYY C38H52N8O14S3 940.2765 NA PeJP NA NA +PJ090875 GCCCMMFF C39H56N8O9S5 940.2774 NA PeJP NA NA +PJ090876 GDDDEEMM C34H52N8O19S2 940.2791 NA PeJP NA NA +PJ090877 PCCDDDHH C35H48N12O15S2 940.2804 NA PeJP NA NA +PJ090878 SSSSCCCQH C32H52N12O15S3 940.2838 NA PeJP NA NA +PJ090879 CCNDDWW C40H48N10O13S2 940.2844 NA PeJP NA NA +PJ090880 GPPCCCCCR C33H56N12O10S5 940.2846 NA PeJP NA NA +PJ090881 SSCNDDDW C36H48N10O18S 940.2869 NA PeJP NA NA +PJ090882 SPCCCNEW C37H52N10O13S3 940.2878 NA PeJP NA NA +PJ090883 CCMMMHW C38H56N10O8S5 940.2887 NA PeJP NA NA +PJ090884 SSSSNDDDD C32H48N10O23 940.2894 NA PeJP NA NA +PJ090885 SNNDDDMM C33H52N10O18S2 940.2903 NA PeJP NA NA +PJ090886 SSCDMMMH C34H56N10O13S4 940.2911 NA PeJP NA NA +PJ090887 TTCCDMMH C34H56N10O13S4 940.2912 NA PeJP NA NA +PJ090888 TCCCYYW C42H52N8O11S3 940.2918 NA PeJP NA NA +PJ090889 ACCCMHHH C35H52N14O9S4 940.2925 NA PeJP NA NA +PJ090890 SPDDDDDY C37H48N8O21 940.2934 NA PeJP NA NA +PJ090891 GDDDDEEF C37H48N8O21 940.2935 NA PeJP NA NA +PJ090892 DDDEMMW C38H52N8O16S2 940.2943 NA PeJP NA NA +PJ090893 CCCNNNDR C31H52N14O14S3 940.295 NA PeJP NA NA +PJ090894 CCQMMYY C39H56N8O11S4 940.2952 NA PeJP NA NA +PJ090895 SSDDEEEM C34H52N8O21S 940.2968 NA PeJP NA NA +PJ090896 SPDDDMMM C35H56N8O16S3 940.2977 NA PeJP NA NA +PJ090897 GDDDDMHH C35H48N12O17S 940.2982 NA PeJP NA NA +PJ090898 PPCCEMMM C36H60N8O11S5 940.2986 NA PeJP NA NA +PJ090899 GCCNNNMW C36H52N12O12S3 940.299 NA PeJP NA NA +PJ090900 SCCNDDER C32H52N12O17S2 940.3015 NA PeJP NA NA +PJ090901 PCCCNDMR C33H56N12O12S4 940.3024 NA PeJP NA NA +PJ090902 GSPCCCWW C41H52N10O10S3 940.303 NA PeJP NA NA +PJ090903 GNNDDDEY C36H48N10O20 940.3047 NA PeJP NA NA +PJ090904 GSCNDEMW C37H52N10O15S2 940.3055 NA PeJP NA NA +PJ090905 GGGSCDEMW C37H52N10O15S2 940.3056 NA PeJP NA NA +PJ090906 GPCCNMMW C38H56N10O10S4 940.3064 NA PeJP NA NA +PJ090907 GSSSNDDEM C33H52N10O20S 940.308 NA PeJP NA NA +PJ090908 GGGSSSDDEM C33H52N10O20S 940.3081 NA PeJP NA NA +PJ090909 DDDDEFW C41H48N8O18 940.3087 NA PeJP NA NA +PJ090910 GNNDEMMM C34H56N10O15S3 940.3089 NA PeJP NA NA +PJ090911 SCNNDDHH C34H48N14O16S 940.3094 NA PeJP NA NA +PJ090912 CCNEFYY C42H52N8O13S2 940.3096 NA PeJP NA NA +PJ090913 GTCMMMMH C35H60N10O10S5 940.3098 NA PeJP NA NA +PJ090914 SSCCMHHH C35H52N14O11S3 940.3103 NA PeJP NA NA +PJ090915 GPDDDEMY C38H52N8O18S 940.3121 NA PeJP NA NA +PJ090916 GSSCMMYY C39H56N8O13S3 940.3129 NA PeJP NA NA +PJ090917 CDDEHHW C39H48N12O14S 940.3134 NA PeJP NA NA +PJ090918 GSEEEEMM C35H56N8O18S2 940.3154 NA PeJP NA NA +PJ090919 SSDDDEHH C35H48N12O19 940.3159 NA PeJP NA NA +PJ090920 GPDEMMMM C36H60N8O13S4 940.3163 NA PeJP NA NA +PJ090921 GSCCDDRW C36H52N12O14S2 940.3168 NA PeJP NA NA +PJ090922 APCCCCRW C37H56N12O9S4 940.3177 NA PeJP NA NA +PJ090923 GSSSCDDDR C32H52N12O19S 940.3193 NA PeJP NA NA +PJ090924 NNDDDYW C40H48N10O17 940.3199 NA PeJP NA NA +PJ090925 ACCNDEMR C33H56N12O14S3 940.3201 NA PeJP NA NA +PJ090926 GCNDDMMR C33H56N12O14S3 940.3202 NA PeJP NA NA +PJ090927 SCNDMWW C41H52N10O12S2 940.3208 NA PeJP NA NA +PJ090928 SSSNDDMW C37H52N10O17S 940.3233 NA PeJP NA NA +PJ090929 NNDMMMW C38H56N10O12S3 940.3242 NA PeJP NA NA +PJ090930 GCCFYYW C46H52N8O10S2 940.3248 NA PeJP NA NA +PJ090931 SSSSSNDEE C33H52N10O22 940.3258 NA PeJP NA NA +PJ090932 SSNNEEMM C34H56N10O17S2 940.3267 NA PeJP NA NA +PJ090933 PDDDMYW C42H52N8O15S 940.3273 NA PeJP NA NA +PJ090934 SSSMMMMH C35H60N10O12S4 940.3275 NA PeJP NA NA +PJ090935 GGGGPTCMMM C35H60N10O12S4 940.3276 NA PeJP NA NA +PJ090936 GCNNEMHH C35H52N14O13S2 940.328 NA PeJP NA NA +PJ090937 CCQMFFY C43H56N8O10S3 940.3282 NA PeJP NA NA +PJ090938 NEEEEEY C38H52N8O20 940.3298 NA PeJP NA NA +PJ090939 SEEEMMW C39H56N8O15S2 940.3307 NA PeJP NA NA +PJ090940 GCCCDERR C32H56N14O13S3 940.3314 NA PeJP NA NA +PJ090941 PDMMMMW C40H60N8O10S4 940.3316 NA PeJP NA NA +PJ090942 GCCNNHFF C40H52N12O11S2 940.332 NA PeJP NA NA +PJ090943 GGGGGCCHFF C40H52N12O11S2 940.3321 NA PeJP NA NA +PJ090944 SSTEEEEM C35H56N8O20S 940.3332 NA PeJP NA NA +PJ090945 AAEEEMMM C36H60N8O15S3 940.3341 NA PeJP NA NA +PJ090946 GSSSSCNNW C36H52N12O16S 940.3345 NA PeJP NA NA +PJ090947 GGGGGGGNDMY C36H52N12O16S 940.3346 NA PeJP NA NA +PJ090948 PPTCMMMM C37H64N8O10S5 940.3349 NA PeJP NA NA +MJ098224 Asperchrome B1 C37H58FeN9O16 940.335093 NA MeJP NA NA +PJ090949 CCNEMRW C37H56N12O11S3 940.3354 NA PeJP NA NA +PJ090950 GTCCWWW C45H52N10O9S2 940.336 NA PeJP NA NA +MJ098225 Antibiotic BE 13793X C47H56O20 940.336494 NA MeJP NA NA +MJ098226 Antibiotic FD 594 C47H56O20 940.336494 NA MeJP NA NA +MJ098227 Antibiotic MSO 901809 C47H56O20 940.336494 NA MeJP NA NA +PJ090951 GSSSSSSNND C32H52N12O21 940.337 NA PeJP NA NA +PJ090952 SSCNDEMR C33H56N12O16S2 940.3379 NA PeJP NA NA +PJ090953 GSSSCEWW C41H52N10O14S 940.3386 NA PeJP NA NA +PJ090954 SPCCNMMR C34H60N12O11S4 940.3388 NA PeJP NA NA +PJ090955 GCCNDHHR C34H52N16O12S2 940.3393 NA PeJP NA NA +PJ090956 GCQMMWW C42H56N10O9S3 940.3394 NA PeJP NA NA +PJ090957 GSSSSSDEW C37H52N10O19 940.341 NA PeJP NA NA +PJ090958 GSSSSTDDW C37H52N10O19 940.3411 NA PeJP NA NA +PJ090959 GSSNEMMW C38H56N10O14S2 940.3419 NA PeJP NA NA +PJ090960 GSCYYYW C46H52N8O12S 940.3426 NA PeJP NA NA +PJ090961 APCCCKMW C39H60N10O9S4 940.3428 NA PeJP NA NA +PJ090962 CNNMHHW C39H52N14O10S2 940.3433 NA PeJP NA NA +PJ090963 GSSSSQEEM C34H56N10O19S 940.3444 NA PeJP NA NA +PJ090964 GEEEEYW C42H52N8O17 940.3451 NA PeJP NA NA +PJ090965 DEEMMMR C35H60N10O14S3 940.3453 NA PeJP NA NA +PJ090966 SSNNDMHH C35H52N14O15S 940.3458 NA PeJP NA NA +PJ090967 PCEEMFW C43H56N8O12S2 940.3459 NA PeJP NA NA +PJ090968 PDDMMFW C43H56N8O12S2 940.346 NA PeJP NA NA +PJ090969 CCCDRRW C36H56N14O10S3 940.3466 NA PeJP NA NA +PJ090970 GGPCCCKHH C36H56N14O10S3 940.3467 NA PeJP NA NA +MJ098228 Hippocrateine III C46H56N2O19 940.347727 NA MeJP NA NA +PJ090971 SPCLDDEY C39H56N8O17S 940.3484 NA PeJP NA NA +PJ090972 GSPEEEMY C39H56N8O17S 940.3485 NA PeJP NA NA +PJ090973 SSCCDDRR C32H56N14O15S2 940.3491 NA PeJP NA NA +PJ090974 GGGGGSSTCCR C32H56N14O15S2 940.3492 NA PeJP NA NA +PJ090975 VDEMMMW C40H60N8O12S3 940.3493 NA PeJP NA NA +PJ090976 CNNNQYW C40H52N12O13S 940.3498 NA PeJP NA NA +PJ090977 PTCCCCRR C33H60N14O10S4 940.35 NA PeJP NA NA +PJ090978 GCCMRWW C41H56N12O8S3 940.3507 NA PeJP NA NA +PJ090979 ATTEEEMM C36H60N8O17S2 940.3518 NA PeJP NA NA +PJ090980 GSNDDDRY C36H52N12O18 940.3523 NA PeJP NA NA +PJ090981 APTEMMMM C37H64N8O12S4 940.3527 NA PeJP NA NA +PJ090982 GSSCDMRW C37H56N12O13S2 940.3532 NA PeJP NA NA +PJ090983 GSDDHHHH C37H48N16O14 940.3536 NA PeJP NA NA +PJ090984 SSSCWWW C45H52N10O11S 940.3538 NA PeJP NA NA +PJ090985 APCCHHHH C38H52N16O9S2 940.3545 NA PeJP NA NA +PJ090986 SSSSSNNQM C33H56N12O18S 940.3556 NA PeJP NA NA +PJ090987 GSSSSDDMR C33H56N12O18S 940.3557 NA PeJP NA NA +PJ090988 SSSSSDWW C41H52N10O16 940.3563 NA PeJP NA NA +PJ090989 GSNDMMMR C34H60N12O13S3 940.3565 NA PeJP NA NA +PJ090990 GGGGGGSCKMM C34H60N12O13S3 940.3566 NA PeJP NA NA +PJ090991 SSNMMWW C42H56N10O11S2 940.3572 NA PeJP NA NA +PJ090992 SSSSQEMW C38H56N10O16S 940.3597 NA PeJP NA NA +PJ090993 EEEYWW C46H52N8O14 940.3603 NA PeJP NA NA +PJ090994 SQQMMMW C39H60N10O11S3 940.3605 NA PeJP NA NA +PJ090995 GGTQMMMW C39H60N10O11S3 940.3606 NA PeJP NA NA +PJ090996 GSSCQHHW C39H52N14O12S 940.361 NA PeJP NA NA +PJ090997 GGGGGGGPCHW C39H52N14O12S 940.3611 NA PeJP NA NA +PJ090998 CCQFFFF C47H56N8O9S2 940.3612 NA PeJP NA NA +PJ090999 SSSSSTQEE C34H56N10O21 940.3622 NA PeJP NA NA +PJ091000 SSTQQEMM C35H60N10O16S2 940.363 NA PeJP NA NA +PJ091001 SSNDKEMM C35H60N10O16S2 940.3631 NA PeJP NA NA +PJ091002 GSSSSNEHH C35H52N14O17 940.3635 NA PeJP NA NA +PJ091003 GGGGGGGQEEH C35H52N14O17 940.3636 NA PeJP NA NA +PJ091004 SPEEMYW C43H56N8O14S 940.3637 NA PeJP NA NA +PJ091005 AAQQMMMM C36H64N10O11S4 940.3639 NA PeJP NA NA +PJ091006 GCCNNQFR C36H56N14O12S2 940.3644 NA PeJP NA NA +PJ091007 CCKMFFY C44H60N8O9S3 940.3646 NA PeJP NA NA +MJ098229 Antibiotic MC 034; 2A-Deoxy C49H61ClO16 940.364813 NA MeJP NA NA +MJ098230 Chlorothricin; O-De-Me C49H61ClO16 940.364813 NA MeJP NA NA +PJ091008 PCDHHFW C44H52N12O10S 940.3651 NA PeJP NA NA +PJ091009 DKEEEEY C39H56N8O19 940.3662 NA PeJP NA NA +PJ091010 SSSSSCNNR C32H56N14O17S 940.3669 NA PeJP NA NA +PJ091011 AAPEEMMY C40H60N8O14S2 940.3671 NA PeJP NA NA +PJ091012 GSSNNNYW C40H52N12O15 940.3675 NA PeJP NA NA +PJ091013 GGGGGSSNYW C40H52N12O15 940.3676 NA PeJP NA NA +PJ091014 GSCCEMRR C33H60N14O12S3 940.3678 NA PeJP NA NA +PJ091015 GPPMMMMF C41H64N8O9S4 940.368 NA PeJP NA NA +PJ091016 STCCRWW C41H56N12O10S2 940.3684 NA PeJP NA NA +PJ091017 CNFWWW C49H52N10O8S 940.3691 NA PeJP NA NA +PJ091018 TTTTEEEM C36H60N8O19S 940.3696 NA PeJP NA NA +PJ091019 ASLEEMMM C37H64N8O14S3 940.3704 NA PeJP NA NA +PJ091020 GTLEEMMM C37H64N8O14S3 940.3705 NA PeJP NA NA +PJ091021 SSSSCERW C37H56N12O15S 940.3709 NA PeJP NA NA +PJ091022 GGGGGGGPPPCE C37H56N12O15S 940.371 NA PeJP NA NA +PJ091023 GPLMMMMM C38H68N8O9S5 940.3713 NA PeJP NA NA +PJ091024 GSNEYWW C45H52N10O13 940.3716 NA PeJP NA NA +PJ091025 SCQMMRW C38H60N12O10S3 940.3718 NA PeJP NA NA +PJ091026 NEMHHHH C38H52N16O11S 940.3723 NA PeJP NA NA +PJ091027 ACMHFFW C46H56N10O8S2 940.3724 NA PeJP NA NA +PJ091028 SSSSSSDER C33H56N12O20 940.3734 NA PeJP NA NA +PJ091029 SSSNEMMR C34H60N12O15S2 940.3743 NA PeJP NA NA +PJ091030 SNNNNNQH C34H52N16O16 940.3747 NA PeJP NA NA +PJ091031 GNNNDDHR C34H52N16O16 940.3748 NA PeJP NA NA +PJ091032 GSSSTMWW C42H56N10O13S 940.3749 NA PeJP NA NA +PJ091033 GGGAAEMYW C42H56N10O13S 940.375 NA PeJP NA NA +PJ091034 NQMMMMR C35H64N12O10S4 940.3751 NA PeJP NA NA +PJ091035 GGQMMMMR C35H64N12O10S4 940.3752 NA PeJP NA NA +PJ091036 GSCNMHHR C35H56N16O11S2 940.3756 NA PeJP NA NA +PJ091037 GCKMMWW C43H60N10O8S3 940.3758 NA PeJP NA NA +PJ091038 CNHHHFF C43H52N14O9S 940.3763 NA PeJP NA NA +PJ091039 GSSSSTTEW C38H56N10O18 940.3774 NA PeJP NA NA +PJ091040 GGGSDKEEY C38H56N10O18 940.3775 NA PeJP NA NA +PJ091041 GSSDKMMW C39H60N10O13S2 940.3783 NA PeJP NA NA +PJ091042 SSSSNHHW C39H52N14O14 940.3788 NA PeJP NA NA +PJ091043 PPCEFYW C47H56N8O11S 940.379 NA PeJP NA NA +PJ091044 CCQKHHW C40H56N14O9S2 940.3797 NA PeJP NA NA +PJ091045 GSSSSKEEM C35H60N10O18S 940.3808 NA PeJP NA NA +PJ091046 GSSTTYYY C43H56N8O16 940.3814 NA PeJP NA NA +PJ091047 SVEEEYW C43H56N8O16 940.3815 NA PeJP NA NA +PJ091048 GSQKEMMM C36H64N10O13S3 940.3817 NA PeJP NA NA +PJ091049 GSCNNQRY C36H56N14O14S 940.3821 NA PeJP NA NA +PJ091050 CNDDRRY C36H56N14O14S 940.3822 NA PeJP NA NA +PJ091051 PVDMMYW C44H60N8O11S2 940.3823 NA PeJP NA NA +PJ091052 SPNDHWW C44H52N12O12 940.3828 NA PeJP NA NA +PJ091053 SCCMRRW C37H60N14O9S3 940.383 NA PeJP NA NA +PJ091054 CDHHHHR C37H52N18O10S 940.3835 NA PeJP NA NA +PJ091055 LQEEEMY C40H60N8O16S 940.3848 NA PeJP NA NA +PJ091056 SSSCDMRR C33H60N14O14S2 940.3855 NA PeJP NA NA +PJ091057 TLEMMMW C41H64N8O11S3 940.3857 NA PeJP NA NA +PJ091058 GNDMRYW C41H56N12O12S 940.3862 NA PeJP NA NA +PJ091059 CNMMMRR C34H64N14O9S4 940.3864 NA PeJP NA NA +PJ091060 SNYWWW C49H52N10O10 940.3868 NA PeJP NA NA +PJ091061 GMHHHHW C42H52N16O8S 940.3875 NA PeJP NA NA +PJ091062 STTLEEMM C37H64N8O16S2 940.3882 NA PeJP NA NA +PJ091063 GSSNEERY C37H56N12O17 940.3887 NA PeJP NA NA +PJ091064 GVLEMMMM C38H68N8O11S4 940.3891 NA PeJP NA NA +PJ091065 GSSSMMRW C38H60N12O12S2 940.3895 NA PeJP NA NA +PJ091066 GGGPTCMRY C38H60N12O12S2 940.3896 NA PeJP NA NA +PJ091067 GSTEHHHH C38H52N16O13 940.39 NA PeJP NA NA +PJ091068 QQMYWW C46H56N10O10S 940.3902 NA PeJP NA NA +PJ091069 GSSSSTEMR C34H60N12O17S 940.392 NA PeJP NA NA +PJ091070 GGGGSSSSSKM C34H60N12O17S 940.3921 NA PeJP NA NA +PJ091071 SSSSTTWW C42H56N10O15 940.3927 NA PeJP NA NA +PJ091072 GSTQMMMR C35H64N12O12S3 940.3929 NA PeJP NA NA +PJ091073 SSSCQHHR C35H56N16O13S 940.3934 NA PeJP NA NA +PJ091074 STCKMWW C43H60N10O10S2 940.3936 NA PeJP NA NA +PJ091075 GNNQHWW C43H52N14O11 940.394 NA PeJP NA NA +PJ091076 GGGGGQHWW C43H52N14O11 940.3941 NA PeJP NA NA +PJ091077 SSSSKEMW C39H60N10O15S 940.3961 NA PeJP NA NA +PJ091078 SPPEYYW C47H56N8O13 940.3967 NA PeJP NA NA +PJ091079 SQKMMMW C40H64N10O10S3 940.3969 NA PeJP NA NA +PJ091080 GGAPCKMMF C40H64N10O10S3 940.397 NA PeJP NA NA +PJ091081 PCNEHRW C40H56N14O11S 940.3974 NA PeJP NA NA +PJ091082 CCKFFFF C48H60N8O8S2 940.3976 NA PeJP NA NA +PJ091083 EHHFWW C48H52N12O9 940.3981 NA PeJP NA NA +PJ091084 SSSTTTTQE C35H60N10O20 940.3985 NA PeJP NA NA +PJ091085 SSSSSTKEE C35H60N10O20 940.3986 NA PeJP NA NA +PJ091086 SSTQKEMM C36H64N10O15S2 940.3994 NA PeJP NA NA +PJ091087 SSSNNNRY C36H56N14O16 940.3999 NA PeJP NA NA +PJ091088 GGGGGGGGGGGPPT C36H56N14O16 940.4 NA PeJP NA NA +PJ091089 ALEEMYW C44H60N8O13S 940.4001 NA PeJP NA NA +PJ091090 LEMMMMR C37H68N10O10S4 940.4003 NA PeJP NA NA +PJ091091 GSPCCRRY C37H60N14O11S2 940.4008 NA PeJP NA NA +PJ091092 PVMMMFW C45H64N8O8S3 940.401 NA PeJP NA NA +PJ091093 CQRYWW C45H56N12O9S 940.4014 NA PeJP NA NA +PJ091094 GTTLEEEY C40H60N8O18 940.4026 NA PeJP NA NA +PJ091095 GPTLEMMY C41H64N8O13S2 940.4035 NA PeJP NA NA +PJ091096 SSNERYW C41H56N12O14 940.4039 NA PeJP NA NA +PJ091097 GGGVVDDHW C41H56N12O14 940.404 NA PeJP NA NA +PJ091098 GSTCMMRR C34H64N14O11S3 940.4042 NA PeJP NA NA +PJ091099 VLMMMMW C42H68N8O8S4 940.4043 NA PeJP NA NA +PJ091100 GNMMFRW C42H60N12O9S2 940.4048 NA PeJP NA NA +PJ091101 STHHHHW C42H52N16O10 940.4053 NA PeJP NA NA +PJ091102 SSLLEMMM C38H68N8O13S3 940.4068 NA PeJP NA NA +PJ091103 SSSSTMRW C38H60N12O14S 940.4073 NA PeJP NA NA +PJ091104 GTTQYWW C46H56N10O12 940.4079 NA PeJP NA NA +PJ091105 GSDKYWW C46H56N10O12 940.408 NA PeJP NA NA +PJ091106 SCKMMRW C39H64N12O9S3 940.4082 NA PeJP NA NA +PJ091107 CNQHHFR C39H56N16O10S 940.4086 NA PeJP NA NA +PJ091108 GGCQHHFR C39H56N16O10S 940.4087 NA PeJP NA NA +PJ091109 SSSSSTTER C34H60N12O19 940.4098 NA PeJP NA NA +PJ091110 SSSDKMMR C35H64N12O14S2 940.4107 NA PeJP NA NA +PJ091111 GSSSSSHHR C35H56N16O15 940.4111 NA PeJP NA NA +PJ091112 NDDEHRR C35H56N16O15 940.4112 NA PeJP NA NA +PJ091113 GQKEMYW C43H60N10O12S 940.4113 NA PeJP NA NA +PJ091114 NKMMMMR C36H68N12O9S4 940.4115 NA PeJP NA NA +PJ091115 GGKMMMMR C36H68N12O9S4 940.4116 NA PeJP NA NA +PJ091116 GNFFFFY C51H56N8O10 940.412 NA PeJP NA NA +PJ091117 GPCHRWW C44H56N14O8S 940.4127 NA PeJP NA NA +PJ091118 SSSSSSTLW C39H60N10O17 940.4138 NA PeJP NA NA +PJ091119 GGGGPPLEEE C39H60N10O17 940.4139 NA PeJP NA NA +PJ091120 GSTTKMMW C40H64N10O12S2 940.4147 NA PeJP NA NA +PJ091121 GQEEHRW C40H56N14O13 940.4152 NA PeJP NA NA +PJ091122 PPCLYYW C48H60N8O10S 940.4153 NA PeJP NA NA +PJ091123 PVDMFFW C48H60N8O10S 940.4154 NA PeJP NA NA +PJ091124 ACCFRRW C41H60N14O8S2 940.416 NA PeJP NA NA +PJ091125 GSSTTTKEM C36H64N10O17S 940.4172 NA PeJP NA NA +PJ091126 TTLEEYW C44H60N8O15 940.4178 NA PeJP NA NA +PJ091127 GAPLEEYY C44H60N8O15 940.4179 NA PeJP NA NA +PJ091128 GSKKEMMM C37H68N10O12S3 940.4181 NA PeJP NA NA +PJ091129 SNDMRRY C37H60N14O13S 940.4185 NA PeJP NA NA +PJ091130 GGGGGSCKRY C37H60N14O13S 940.4186 NA PeJP NA NA +PJ091131 PTLMMYW C45H64N8O10S2 940.4187 NA PeJP NA NA +PJ091132 GSSRYWW C45H56N12O11 940.4192 NA PeJP NA NA +PJ091133 VMMMHHR C38H64N14O8S3 940.4194 NA PeJP NA NA +PJ091134 SMHHHHR C38H56N18O9S 940.4199 NA PeJP NA NA +MJ098231 Rodorubicin C48H64N2O17 940.420498 NA MeJP NA NA +PJ091135 LKEEEMY C41H64N8O15S 940.4212 NA PeJP NA NA +PJ091136 SSSSMMRR C34H64N14O13S2 940.4219 NA PeJP NA NA +PJ091137 GPVLMMMY C42H68N8O10S3 940.4221 NA PeJP NA NA +PJ091138 ASQMRYW C42H60N12O11S 940.4225 NA PeJP NA NA +PJ091139 GTQMRYW C42H60N12O11S 940.4226 NA PeJP NA NA +PJ091140 QQFFWW C50H56N10O9 940.4232 NA PeJP NA NA +PJ091141 ASSSSSPRY C38H60N12O16 940.425 NA PeJP NA NA +PJ091142 GSSDKERY C38H60N12O16 940.4251 NA PeJP NA NA +PJ091143 ATLLMMMM C39H72N8O10S4 940.4255 NA PeJP NA NA +PJ091144 VNQMMRY C39H64N12O11S2 940.4259 NA PeJP NA NA +PJ091145 GGGGGCKKMF C39H64N12O11S2 940.426 NA PeJP NA NA +PJ091146 GDDHRRW C39H56N16O12 940.4264 NA PeJP NA NA +PJ091147 QKMYWW C47H60N10O9S 940.4266 NA PeJP NA NA +PJ091148 SSSSSSLMR C35H64N12O16S 940.4284 NA PeJP NA NA +PJ091149 STQKEYW C43H60N10O14 940.4291 NA PeJP NA NA +PJ091150 GSTKMMMR C36H68N12O11S3 940.4293 NA PeJP NA NA +PJ091151 GSPCEHRR C36H60N16O12S 940.4298 NA PeJP NA NA +PJ091152 AQKMMFW C44H64N10O9S2 940.4299 NA PeJP NA NA +PJ091153 GAAKMMFW C44H64N10O9S2 940.43 NA PeJP NA NA +MJ098232 3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[(2-Carboxy-1-carboxymethoxy-2-hydroxyethyl)-(?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C46H68O20 940.430394 NA MeJP NA NA +PJ091154 QEHRWW C44H56N14O10 940.4304 NA PeJP NA NA +PJ091155 SSTTTKMW C40H64N10O14S 940.4324 NA PeJP NA NA +PJ091156 NKKEEMY C40H64N10O14S 940.4325 NA PeJP NA NA +PJ091157 APLEYYW C48H60N8O12 940.4331 NA PeJP NA NA +PJ091158 SKKMMMW C41H68N10O9S3 940.4333 NA PeJP NA NA +PJ091159 GTCRRYW C41H60N14O10S 940.4338 NA PeJP NA NA +PJ091160 VQHWWW C49H56N12O8 940.4344 NA PeJP NA NA +PJ091161 GGLHWWW C49H56N12O8 940.4345 NA PeJP NA NA +PJ091162 SSSTTTTKE C36H64N10O19 940.4349 NA PeJP NA NA +PJ091163 SSTKKEMM C37H68N10O14S2 940.4358 NA PeJP NA NA +PJ091164 GSSSERRY C37H60N14O15 940.4363 NA PeJP NA NA +PJ091165 SLLEMYW C45H64N8O12S 940.4365 NA PeJP NA NA +PJ091166 AAKKMMMM C38H72N10O9S4 940.4367 NA PeJP NA NA +PJ091167 GQMMRRY C38H64N14O10S2 940.4372 NA PeJP NA NA +PJ091168 GSPNHHHR C38H56N18O11 940.4376 NA PeJP NA NA +PJ091169 GGGSPHHHR C38H56N18O11 940.4377 NA PeJP NA NA +PJ091170 CKRYWW C46H60N12O8S 940.4378 NA PeJP NA NA +PJ091171 SSTLLEEY C41H64N8O17 940.439 NA PeJP NA NA +PJ091172 SSPLLMMY C42H68N8O12S2 940.4398 NA PeJP NA NA +PJ091173 AALLEMMY C42H68N8O12S2 940.4399 NA PeJP NA NA +PJ091174 SSDKRYW C42H60N12O13 940.4403 NA PeJP NA NA +PJ091175 GGGGGGAAPPPF C42H60N12O13 940.4404 NA PeJP NA NA +PJ091176 NNNMHRR C35H60N18O11S 940.441 NA PeJP NA NA +PJ091177 ACKMFRW C43H64N12O8S2 940.4412 NA PeJP NA NA +PJ091178 VQHHHHF C43H56N16O9 940.4417 NA PeJP NA NA +PJ091179 TTTLLMMM C39H72N8O12S3 940.4432 NA PeJP NA NA +PJ091180 SQKEMRY C39H64N12O13S 940.4437 NA PeJP NA NA +PJ091181 GTTKYWW C47H60N10O11 940.4443 NA PeJP NA NA +PJ091182 GGPPLEWW C47H60N10O11 940.4444 NA PeJP NA NA +PJ091183 SPCHRRW C40H60N16O9S 940.445 NA PeJP NA NA +PJ091184 AHRWWW C48H56N14O7 940.4457 NA PeJP NA NA +PJ091185 SSSTTTTTR C35H64N12O18 940.4462 NA PeJP NA NA +MJ098233 Rifalazil C51H64N4O13 940.446988 NA MeJP NA NA +PJ091186 SSTTKMMR C36H68N12O13S2 940.4471 NA PeJP NA NA +PJ091187 SQEEHRR C36H60N16O14 940.4475 NA PeJP NA NA +PJ091188 GGGGGSKEHR C36H60N16O14 940.4476 NA PeJP NA NA +PJ091189 GKKEMYW C44H64N10O11S 940.4477 NA PeJP NA NA +PJ091190 PPTFFFW C52H60N8O9 940.4484 NA PeJP NA NA +PJ091191 GSTKKEEY C40H64N10O16 940.4502 NA PeJP NA NA +PJ091192 VLEMMRY C41H68N10O11S2 940.4511 NA PeJP NA NA +PJ091193 SSSRRYW C41H60N14O12 940.4515 NA PeJP NA NA +PJ091194 PPDDRRW C41H60N14O12 940.4516 NA PeJP NA NA +PJ091195 PVVMFYW C49H64N8O9S 940.4517 NA PeJP NA NA +PJ091196 AHHHHFR C42H56N18O8 940.4529 NA PeJP NA NA +PJ091197 SSSSTTLKM C37H68N10O16S 940.4536 NA PeJP NA NA +PJ091198 PLKEEYY C45H64N8O14 940.4542 NA PeJP NA NA +PJ091199 ATTKKMMM C38H72N10O11S3 940.4545 NA PeJP NA NA +PJ091200 STQMRRY C38H64N14O12S 940.4549 NA PeJP NA NA +PJ091201 GGGGGGPPVMR C38H64N14O12S 940.455 NA PeJP NA NA +PJ091202 VVLMMYW C46H68N8O9S2 940.4551 NA PeJP NA NA +PJ091203 APPERWW C46H60N12O10 940.4556 NA PeJP NA NA +PJ091204 ATTLLEMY C42H68N8O14S 940.4576 NA PeJP NA NA +PJ091205 GVLLMMMF C43H72N8O9S3 940.4585 NA PeJP NA NA +PJ091206 SDDHRRR C35H60N18O13 940.4588 NA PeJP NA NA +PJ091207 GTKMRYW C43H64N12O10S 940.4589 NA PeJP NA NA +PJ091208 GPPPTMRW C43H64N12O10S 940.459 NA PeJP NA NA +PJ091209 GPPLWWW C51H60N10O8 940.4596 NA PeJP NA NA +PJ091210 GSTTKERY C39H64N12O15 940.4614 NA PeJP NA NA +PJ091211 GGGGSSTKKY C39H64N12O15 940.4615 NA PeJP NA NA +2605 synthetic peptide inhibitors of (PEP) IHPFAQTQ 940.462 NA Inhouse_peptide NA peptide +PJ091212 VNKMMRY C40H68N12O10S2 940.4623 NA PeJP NA NA +PJ091213 GTEHRRW C40H60N16O11 940.4628 NA PeJP NA NA +PJ091214 KKMYWW C48H64N10O8S 940.463 NA PeJP NA NA +PJ091215 SSSSSCKKK C36H68N12O15S 940.4648 NA PeJP NA NA +PJ091216 STKKEYW C44H64N10O13 940.4655 NA PeJP NA NA +PJ091217 TCCCKKKK C37H72N12O10S3 940.4657 NA PeJP NA NA +PJ091218 STCRRRY C37H64N16O11S 940.4662 NA PeJP NA NA +PJ091219 AKKMMFW C45H68N10O8S2 940.4663 NA PeJP NA NA +MJ098234 2,3-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside], ?-D-glucopyranosyl ester C47H72O19 940.46678 NA MeJP NA NA +MJ098235 3,24-Dihydroxy-22-oxo-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside] C47H72O19 940.46678 NA MeJP NA NA +MJ098236 Glaucogenin C; 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] C47H72O19 940.46678 NA MeJP NA NA +MJ098237 Glaucogenin C; 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] C47H72O19 940.46678 NA MeJP NA NA +PJ091220 KEHRWW C45H60N14O9 940.4668 NA PeJP NA NA +PJ091221 DKKKEMY C41H68N10O13S 940.4688 NA PeJP NA NA +PJ091222 GLLLEEMH C41H68N10O13S 940.4689 NA PeJP NA NA +PJ091223 SPLLYYW C49H64N8O11 940.4695 NA PeJP NA NA +PJ091224 LLMMMFR C42H72N10O8S3 940.4697 NA PeJP NA NA +PJ091225 SPKMHRW C42H64N14O9S 940.4702 NA PeJP NA NA +PJ091226 VKHWWW C50H60N12O7 940.4708 NA PeJP NA NA +PJ091227 STTTTTTTK C37H68N10O18 940.4713 NA PeJP NA NA +PJ091228 TTTTKKMM C38H72N10O13S2 940.4722 NA PeJP NA NA +PJ091229 GSTTTRRY C38H64N14O14 940.4727 NA PeJP NA NA +PJ091230 AAPLLMYY C46H68N8O11S 940.4729 NA PeJP NA NA +PJ091231 GKMMRRY C39H68N14O9S2 940.4736 NA PeJP NA NA +PJ091232 VQQHHHR C39H60N18O10 940.474 NA PeJP NA NA +PJ091233 TTTTLLEY C42H68N8O16 940.4754 NA PeJP NA NA +PJ091234 GTLLLMMY C43H72N8O11S2 940.4762 NA PeJP NA NA +PJ091235 STTKRYW C43H64N12O12 940.4767 NA PeJP NA NA +PJ091236 GEMHRRR C36H64N18O10S 940.4774 NA PeJP NA NA +PJ091237 THRRWW C44H60N16O8 940.478 NA PeJP NA NA +PJ091238 VKHHHHF C44H60N16O8 940.4781 NA PeJP NA NA +PJ091239 SKKEMRY C40H68N12O12S 940.4801 NA PeJP NA NA +PJ091240 PPVKEWW C48H64N10O10 940.4807 NA PeJP NA NA +PJ091241 GVMHRRW C41H64N16O8S 940.4814 NA PeJP NA NA +8312 Anticancer peptide ENLLRFFVAPFPEVFG 940.48295 MH2+ Inhouse_peptide NA peptide +PJ091242 SKEEHRR C37H64N16O13 940.4839 NA PeJP NA NA +PJ091243 GGGGGGGAAPKR C37H64N16O13 940.484 NA PeJP NA NA +PJ091244 SVKKMYW C45H68N10O10S 940.4841 NA PeJP NA NA +PJ091245 PVVFFFW C53H64N8O8 940.4848 NA PeJP NA NA +PJ091246 AQHHHRR C38H60N20O9 940.4853 NA PeJP NA NA +PJ091247 SSSLKKEY C41H68N10O15 940.4866 NA PeJP NA NA +PJ091248 LQKKMMY C42H72N10O10S2 940.4875 NA PeJP NA NA +PJ091249 PPTERRW C42H64N14O11 940.4879 NA PeJP NA NA +PJ091250 GGGAPLQRW C42H64N14O11 940.488 NA PeJP NA NA +PJ091251 VVLMFFW C50H68N8O8S 940.4881 NA PeJP NA NA +PJ091252 LLLQEYY C46H68N8O13 940.4906 NA PeJP NA NA +PJ091253 STKMRRY C39H68N14O11S 940.4913 NA PeJP NA NA +PJ091254 SPPLRWW C47H64N12O9 940.492 NA PeJP NA NA +PJ091255 MHRRRW C40H64N18O7S 940.4927 NA PeJP NA NA +PJ091256 STTLLLMY C43H72N8O13S 940.494 NA PeJP NA NA +PJ091257 STEHRRR C36H64N18O12 940.4952 NA PeJP NA NA +PJ091258 AAPPLMRW C44H68N12O9S 940.4953 NA PeJP NA NA +PJ091259 KKFFWW C52H64N10O7 940.496 NA PeJP NA NA +PJ091260 SSSTLKRY C40H68N12O14 940.4978 NA PeJP NA NA +PJ091261 GGAPLLEER C40H68N12O14 940.4979 NA PeJP NA NA +PJ091262 CLKKMRY C41H72N12O9S2 940.4987 NA PeJP NA NA +7706 pyrokinin TENMO-PK-2 SPPFAPRLG 940.499 antioxidative Inhouse_peptide NA peptide +PJ091263 SSLHRRW C41H64N16O10 940.4992 NA PeJP NA NA +PJ091264 SPPTLLQW C45H68N10O12 940.5018 NA PeJP NA NA +PJ091265 APPTLKEW C45H68N10O12 940.5019 NA PeJP NA NA +PJ091266 TLQMHRR C38H68N16O10S 940.5025 NA PeJP NA NA +PJ091267 PPEMRRR C38H68N16O10S 940.5026 NA PeJP NA NA +MJ098238 11,13(18)-Oleanadiene-3,23,28-triol; 3?-form, 28-Carboxylic acid, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O18 940.503165 NA MeJP NA NA +MJ098239 12-Oleanene-3,22,24-triol, 22-Ketone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H76O18 940.503165 NA MeJP NA NA +MJ098240 12-Oleanene-3,22,24-triol, 22-Ketone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H76O18 940.503165 NA MeJP NA NA +MJ098241 12-Oleanene-3,22,24-triol, 22-Ketone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-glucuronopyranoside] C48H76O18 940.503165 NA MeJP NA NA +MJ098242 13,28-Epoxy-11-oleanene-3,16,23-triol, 16-Ketone, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] C48H76O18 940.503165 NA MeJP NA NA +MJ098243 13,28-Epoxy-11-oleanene-3,16,23-triol, 23-Aldehyde, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] C48H76O18 940.503165 NA MeJP NA NA +MJ098244 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-fucopyranosyl-(1?6)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] C48H76O18 940.503165 NA MeJP NA NA +MJ098245 3,21-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 21-Ketone, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O18 940.503165 NA MeJP NA NA +MJ098246 3,22-Dihydroxy-18-oleanen-25-al, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H76O18 940.503165 NA MeJP NA NA +MJ098247 3,23-Dihydroxy-12,21-oleanadien-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O18 940.503165 NA MeJP NA NA +MJ098248 3,23-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 3-Ketone, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O18 940.503165 NA MeJP NA NA +MJ098249 3,23-Dihydroxy-9(11),12-oleanadien-28-oic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl]ester C48H76O18 940.503165 NA MeJP NA NA +MJ098250 3,26-Dihydroxycucurbita-5,20,24-trien-11-one, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside C48H76O18 940.503165 NA MeJP NA NA +MJ098251 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] C48H76O18 940.503165 NA MeJP NA NA +MJ098252 3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H76O18 940.503165 NA MeJP NA NA +MJ098253 3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O18 940.503165 NA MeJP NA NA +MJ098254 3-Hydroxycycloart-24-en-26,22-olide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C48H76O18 940.503165 NA MeJP NA NA +MJ098255 Jujubogenin; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-2-O-acetyl-?-L-arabinopyranoside] C48H76O18 940.503165 NA MeJP NA NA +MJ098256 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucuronopyranoside] C48H76O18 940.503165 NA MeJP NA NA +MJ098257 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H76O18 940.503165 NA MeJP NA NA +MJ098258 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-glucuronopyranoside] C48H76O18 940.503165 NA MeJP NA NA +MJ098259 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucuronopyranoside] C48H76O18 940.503165 NA MeJP NA NA +MJ098260 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnosyl-(1??)-[?-D-glucopyranosyl-(1??)]-?-D-glucuronopyranoside] C48H76O18 940.503165 NA MeJP NA NA +MJ098261 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?4)-6-O-methyl-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O18 940.503165 NA MeJP NA NA +MJ098262 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-6-O-methyl-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O18 940.503165 NA MeJP NA NA +MJ098263 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O18 940.503165 NA MeJP NA NA +MJ098264 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O18 940.503165 NA MeJP NA NA +C08936 Colubrin C48H76O18 940.5032 NA KEGG NA NA +C08962 Olaxoside C48H76O18 940.5032 NA KEGG NA NA +C13837 Dehydrosoyasaponin I C48H76O18 940.5032 NA KEGG NA NA +PJ091268 APKHFRW C46H64N14O8 940.5032 NA PeJP NA NA +MJ098265 Kabiramide C; 21-De-O-(aminocarbonyl), 21-Ac C49H72N4O14 940.504503 NA MeJP NA NA +PJ091269 GTTLKKMY C42H72N10O12S 940.5052 NA PeJP NA NA +PJ091270 ALLLYYW C50H68N8O10 940.5059 NA PeJP NA NA +PJ091271 PPVMRRW C43H68N14O8S 940.5066 NA PeJP NA NA +HMDB09929 PIP(16:0/20:3(5Z,8Z,11Z)) C45H82O16P2 940.507812 NA HMDB2010 NA NA +HMDB09930 PIP(16:0/20:3(8Z,11Z,14Z)) C45H82O16P2 940.507812 NA HMDB2010 NA NA +HMDB09952 PIP(18:0/18:3(6Z,9Z,12Z)) C45H82O16P2 940.507812 NA HMDB2010 NA NA +HMDB09953 PIP(18:0/18:3(9Z,12Z,15Z)) C45H82O16P2 940.507812 NA HMDB2010 NA NA +HMDB09963 PIP(18:1(11Z)/18:2(9Z,12Z)) C45H82O16P2 940.507812 NA HMDB2010 NA NA +HMDB09976 PIP(18:1(9Z)/18:2(9Z,12Z)) C45H82O16P2 940.507812 NA HMDB2010 NA NA +HMDB09985 PIP(18:2(9Z,12Z)/18:1(11Z)) C45H82O16P2 940.507812 NA HMDB2010 NA NA +HMDB09986 PIP(18:2(9Z,12Z)/18:1(9Z)) C45H82O16P2 940.507812 NA HMDB2010 NA NA +HMDB09993 PIP(18:3(6Z,9Z,12Z)/18:0) C45H82O16P2 940.507812 NA HMDB2010 NA NA +HMDB09996 PIP(18:3(9Z,12Z,15Z)/18:0) C45H82O16P2 940.507812 NA HMDB2010 NA NA +HMDB10005 PIP(20:3(5Z,8Z,11Z)/16:0) C45H82O16P2 940.507812 NA HMDB2010 NA NA +HMDB10010 PIP(20:3(8Z,11Z,14Z)/16:0) C45H82O16P2 940.507812 NA HMDB2010 NA NA +MJ098266 Cephalostatin 2; 9'-Deoxy, 8'-hydroxy, 9',11'-didehydro, 14'?,15'?-epoxide C54H72N2O12 940.508525 NA MeJP NA NA +PJ091272 AAPLEERR C39H68N14O13 940.5091 NA PeJP NA NA +PJ091273 AALLLMFY C47H72N8O10S 940.5093 NA PeJP NA NA +PJ091274 GPNRRRW C40H64N18O9 940.5104 NA PeJP NA NA +PJ091275 PVLLLEEE C43H72N8O15 940.5118 NA PeJP NA NA +PJ091276 PLLQERW C44H68N12O11 940.5131 NA PeJP NA NA +PJ091277 SVMHRRR C37H68N18O9S 940.5138 NA PeJP NA NA +PJ091278 GSCKKKKY C41H72N12O11S 940.5165 NA PeJP NA NA +PJ091279 PVLLQWW C49H68N10O9 940.5171 NA PeJP NA NA +MJ098267 7',8'-Dihydroneoxanthin-20'-al, 3'-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucopyranoside] C52H76O15 940.518421 NA MeJP NA NA +PJ091280 PVEERRR C38H68N16O12 940.5203 NA PeJP NA NA +PJ091281 GPPLLKMW C46H72N10O9S 940.5205 NA PeJP NA NA +PJ091282 AKHHHRR C39H64N20O8 940.5216 NA PeJP NA NA +PJ091283 STTTLKKY C42H72N10O14 940.523 NA PeJP NA NA +PJ091284 LKKKMMY C43H76N10O9S2 940.5239 NA PeJP NA NA +PJ091285 PVVERRW C43H68N14O10 940.5243 NA PeJP NA NA +PJ091286 LLLKEYY C47H72N8O12 940.527 NA PeJP NA NA +PJ091287 APPTLMRR C40H72N14O10S 940.5277 NA PeJP NA NA +PJ091288 APLLRWW C48H68N12O8 940.5284 NA PeJP NA NA +PJ091289 PNDKRRR C37H68N18O11 940.5315 NA PeJP NA NA +PJ091290 GGPDKRRR C37H68N18O11 940.5316 NA PeJP NA NA +PJ091291 VLKKMHW C45H72N12O8S 940.5317 NA PeJP NA NA +PJ091292 GPLLKEER C41H72N12O13 940.5342 NA PeJP NA NA +PJ091293 GGGGGGGALLLL C41H72N12O13 940.5343 NA PeJP NA NA +PJ091294 APQKRRW C42H68N16O9 940.5356 NA PeJP NA NA +PJ091295 SPPTLLKW C46H72N10O11 940.5382 NA PeJP NA NA +PJ091296 GPVLLKEW C46H72N10O11 940.5383 NA PeJP NA NA +PJ091297 TLKMHRR C39H72N16O9S 940.5389 NA PeJP NA NA +MJ098268 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H80O17 940.539551 NA MeJP NA NA +MJ098269 Pregn-5-ene-3,11,12,14,20-pentol, 12-O-(3-Methylbutanoyl), 11-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H80O17 940.539551 NA MeJP NA NA +MJ098270 Pregnane-3,12,14,17,20-pentol, 20-Tigloyl, 12-Ac, 3-O-[?-D-thevetopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] C49H80O17 940.539551 NA MeJP NA NA +PJ091298 TTLLLLMH C43H76N10O11S 940.5416 NA PeJP NA NA +PJ091299 AALLLFFF C51H72N8O9 940.5423 NA PeJP NA NA +PJ091300 SPNRRRR C36H68N20O10 940.5428 NA PeJP NA NA +MJ098271 Cephalostatin 2; 1'?-Methoxy, 9'-deoxy C55H76N2O11 940.544911 NA MeJP NA NA +MJ098272 Cephalostatin 2; 1?-Methoxy, 9'-deoxy C55H76N2O11 940.544911 NA MeJP NA NA +MJ098273 Cephalostatin 3 C55H76N2O11 940.544911 NA MeJP NA NA +PJ091301 SPPTQKKR C40H72N14O12 940.5454 NA PeJP NA NA +PJ091302 GPTLLERR C40H72N14O12 940.5455 NA PeJP NA NA +PJ091303 GLHFRRR C41H68N18O8 940.5468 NA PeJP NA NA +PJ091304 PLLKERW C45H72N12O10 940.5495 NA PeJP NA NA +MJ098274 Foromacidin A; 3-Propanoyl, 4''-Ac C48H80N2O16 940.550784 NA MeJP NA NA +MJ098275 Foromacidin A; 4''-Propanoyl, 3-Ac C48H80N2O16 940.550784 NA MeJP NA NA +PJ091305 SPPLLKMR C42H76N12O10S 940.5529 NA PeJP NA NA +PJ091306 PVLLKWW C50H72N10O8 940.5535 NA PeJP NA NA +PJ091307 PQKKERR C39H72N16O11 940.5567 NA PeJP NA NA +PJ091308 LKKKMFF C47H76N10O8S 940.5569 NA PeJP NA NA +PJ091309 PVVLKKEE C43H76N10O13 940.5594 NA PeJP NA NA +PJ091310 PTLLRRW C44H72N14O9 940.5607 NA PeJP NA NA +PJ091311 PPLLLLEF C48H76N8O11 940.5634 NA PeJP NA NA +PJ091312 GPVLLMRR C41H76N14O9S 940.5641 NA PeJP NA NA +PJ091313 PLLLLLEM C45H80N8O11S 940.5668 NA PeJP NA NA +PJ091314 PTQKRRR C38H72N18O10 940.5679 NA PeJP NA NA +PJ091315 SPVLLKER C42H76N12O12 940.5706 NA PeJP NA NA +PJ091316 APKKRRW C43H72N16O8 940.5719 NA PeJP NA NA +PJ091317 PPLFRRR C43H72N16O8 940.572 NA PeJP NA NA +PJ091318 APTLLLKW C47H76N10O10 940.5746 NA PeJP NA NA +PJ091319 PLLMRRR C40H76N16O8S 940.5753 NA PeJP NA NA +PJ091320 PVLLLQKM C44H80N10O10S 940.578 NA PeJP NA NA +PJ091321 GLQRRRR C37H72N20O9 940.5792 NA PeJP NA NA +PJ091322 SSPLLLRR C41H76N14O11 940.5818 NA PeJP NA NA +PJ091323 AALLLERR C41H76N14O11 940.5819 NA PeJP NA NA +PJ091324 VLLLLLEE C45H80N8O13 940.5845 NA PeJP NA NA +PJ091325 LLLLQRW C46H76N12O9 940.5859 NA PeJP NA NA +PJ091326 APLLLKMR C43H80N12O9S 940.5892 NA PeJP NA NA +PJ091327 AARRRRR C36H72N22O8 940.5904 NA PeJP NA NA +PJ091328 VLLERRR C40H76N16O10 940.5931 NA PeJP NA NA +PJ091329 PTLLLKKE C44H80N10O12 940.5958 NA PeJP NA NA +PJ091330 VVLLRRW C45H76N14O8 940.5971 NA PeJP NA NA +PJ091331 PPLLLLLY C49H80N8O10 940.5998 NA PeJP NA NA +PJ091332 PTKKRRR C39H76N18O9 940.6043 NA PeJP NA NA +PJ091333 GLLLLKER C43H80N12O11 940.607 NA PeJP NA NA +PJ091334 GVLLLLKW C48H80N10O9 940.611 NA PeJP NA NA +PJ091335 PVLLLKKM C45H84N10O9S 940.6144 NA PeJP NA NA +PJ091336 AVKRRRR C38H76N20O8 940.6155 NA PeJP NA NA +PJ091337 GLKRRRR C38H76N20O8 940.6156 NA PeJP NA NA +PJ091338 GTLLLLRR C42H80N14O10 940.6182 NA PeJP NA NA +PJ091339 LLLLKRW C47H80N12O8 940.6222 NA PeJP NA NA +PJ091340 LLQKKRR C41H80N16O9 940.6295 NA PeJP NA NA +PJ091341 TLLLLLQK C45H84N10O11 940.6321 NA PeJP NA NA +PJ091342 VVLLLKKE C45H84N10O11 940.6322 NA PeJP NA NA +PJ091343 PLLLLLLF C50H84N8O9 940.6362 NA PeJP NA NA +PJ091344 LLLLLLLM C47H88N8O9S 940.6395 NA PeJP NA NA +PJ091345 VVKKRRR C40H80N18O8 940.6407 NA PeJP NA NA +PJ091346 SVLLLLKR C44H84N12O10 940.6434 NA PeJP NA NA +PJ091347 GVLLKKKR C43H84N14O9 940.6546 NA PeJP NA NA +C04150 beta-D-Mannosylphosphodecaprenol C56H93O9P 940.6557 NA KEGG NA NA +C04152 rRNA containing N1-methylguanine C11H16N5O8P 940.6557 NA KEGG NA NA +C04153 rRNA containing N2-methylguanine C11H16N5O8P 940.6557 NA KEGG NA NA +C04154 rRNA containing N6-methyladenine C11H16N5O7P 940.6557 NA KEGG NA NA +C04155 tRNA containing 5-methylcytosine C10H16N3O8P 940.6557 NA KEGG NA NA +C04156 tRNA containing N1-methyladenine C11H16N5O7P 940.6557 NA KEGG NA NA +C04157 tRNA containing N1-methylguanine C11H16N5O8P 940.6557 NA KEGG NA NA +C04158 tRNA containing N2-methylguanine C11H16N5O8P 940.6557 NA KEGG NA NA +C04159 tRNA containing N6-methyladenine C11H16N5O7P 940.6557 NA KEGG NA NA +C04160 tRNA containing N7-methylguanine C11H16N5O8P 940.6557 NA KEGG NA NA +C04161 tRNA containing a thionucleotide C11H16N5O8P 940.6557 NA KEGG NA NA +MetaCyc04334 β-D-mannosylphosphodecaprenol [] C56H93O9P1 940.655721 NA metacyc NA NA +PJ091348 LLKKKRR C42H84N16O8 940.6658 NA PeJP NA NA +PJ091349 TLLLLLKK C46H88N10O10 940.6685 NA PeJP NA NA +PJ091350 ALLLKKKK C45H88N12O9 940.6798 NA PeJP NA NA +HMDB05457 TG(18:1(9Z)/20:1(11Z)/20:1(11Z))[iso3] C61H112O6 940.845886 NA HMDB2010 NA NA +HMDB05468 TG(18:2(9Z,12Z)/20:0/20:1(11Z))[iso6] C61H112O6 940.845886 NA HMDB2010 NA NA +HMDB10466 TG(18:1(9Z)/18:1(9Z)/22:1(13Z))[iso3] C61H112O6 940.845886 NA HMDB2010 NA NA +HMDB05457 TG(18:1(9Z)/20:1(11Z)/20:1(11Z))[iso3] C61H112O6 940.84589 http://www.hmdb.ca/metabolites/HMDB05457 HMDB NA NA +HMDB05468 TG(18:2(9Z,12Z)/20:0/20:1(11Z))[iso6] C61H112O6 940.84589 http://www.hmdb.ca/metabolites/HMDB05468 HMDB NA NA +HMDB05457 TG(18:1(9Z)/20:1(11Z)/20:1(11Z))[iso3] C61H112O6 940.84589 HMDB05457 PFEM_hmdb_metabocards_official NA NA +HMDB05468 TG(18:2(9Z,12Z)/20:0/20:1(11Z))[iso6] C61H112O6 940.84589 HMDB05468 PFEM_hmdb_metabocards_official NA NA +2944 NA FGGFTGARKSALKWDNQ 940.9659 MH2+ Inhouse_peptide NA peptide +2598 tachylepsin II from homocytes of horse shoe crab RWCFRVCYRGICYRRCR~ 941.034 MH2+ Inhouse_peptide NA peptide +C00566 (3S)-Citryl-CoA C27H42N7O22P3S 941.1316 NA KEGG NA NA +MJ098276 (3S)-Citryl-CoA C27H42N7O22P3S 941.131646 NA MeJP NA NA +MetaCyc04335 (3S)-citryl-CoA [citryl-CoA;] C27H42N7O22P3S1 941.131646 NA metacyc NA NA +PJ091351 SCCCCCCCD C28H47N9O13S7 941.1339 NA PeJP NA NA +PJ091352 ACCCCCCCM C29H51N9O10S8 941.1525 NA PeJP NA NA +PJ091353 TTCCCCCCC C29H51N9O12S7 941.1702 NA PeJP NA NA +PJ091354 SSCCCCCCM C29H51N9O12S7 941.1703 NA PeJP NA NA +PJ091355 CCCCCNMY C33H51N9O11S6 941.2033 NA PeJP NA NA +PJ091356 GSCCCCDDH C31H47N11O15S4 941.2136 NA PeJP NA NA +PJ091357 APCCCCCCH C32H51N11O10S6 941.2145 NA PeJP NA NA +PJ091358 GPCCCDDDD C32H47N9O18S3 941.2202 NA PeJP NA NA +PJ091359 GSTCCCCCY C33H51N9O13S5 941.221 NA PeJP NA NA +PJ091360 CCCCNEMH C32H51N11O12S5 941.2323 NA PeJP NA NA +PJ091361 CCCCCNFF C37H51N9O10S5 941.2363 NA PeJP NA NA +PJ091362 CNDDDDDM C32H47N9O20S2 941.2379 NA PeJP NA NA +PJ091363 SSSSCCCCY C33H51N9O15S4 941.2388 NA PeJP NA NA +PJ091364 CCCCCDHR C31H51N13O11S5 941.2435 NA PeJP NA NA +PJ091365 GCCCCMHW C36H51N11O9S5 941.2475 NA PeJP NA NA +PJ091366 GSCCNNDDD C31H47N11O19S2 941.2492 NA PeJP NA NA +PJ091367 GSSCCCDMH C32H51N11O14S4 941.25 NA PeJP NA NA +PJ091368 GCCDDDEW C36H47N9O17S2 941.2532 NA PeJP NA NA +PJ091369 GCCCCQYY C37H51N9O12S4 941.254 NA PeJP NA NA +PJ091370 GSSCDDDDE C32H47N9O22S 941.2557 NA PeJP NA NA +PJ091371 ASPCCCDDE C33H51N9O17S3 941.2565 NA PeJP NA NA +PJ091372 GSPCCDDDM C33H51N9O17S3 941.2566 NA PeJP NA NA +PJ091373 GPPCCCCEM C34H55N9O12S5 941.2574 NA PeJP NA NA +PJ091374 STCCCCHW C36H51N11O11S4 941.2653 NA PeJP NA NA +PJ091375 SSSSCCCEH C32H51N11O16S3 941.2678 NA PeJP NA NA +PJ091376 CCDDDWW C40H47N9O14S2 941.2684 NA PeJP NA NA +PJ091377 SCCCQMMH C33H55N11O11S5 941.2686 NA PeJP NA NA +PJ091378 GGTCCCMMH C33H55N11O11S5 941.2687 NA PeJP NA NA +PJ091379 SSCDDDDW C36H47N9O19S 941.2709 NA PeJP NA NA +PJ091380 SPCCCDEW C37H51N9O14S3 941.2718 NA PeJP NA NA +PJ091381 PPCCCCMW C38H55N9O9S5 941.2727 NA PeJP NA NA +PJ091382 SSSSDDDDD C32H47N9O24 941.2734 NA PeJP NA NA +PJ091383 SNDDDDMM C33H51N9O19S2 941.2743 NA PeJP NA NA +PJ091384 PCCNDEMM C34H55N9O14S4 941.2752 NA PeJP NA NA +PJ091385 CCCNNDDR C31H51N13O15S3 941.279 NA PeJP NA NA +PJ091386 CCEMMYY C39H55N7O12S4 941.2792 NA PeJP NA NA +PJ091387 SCCCCMHR C32H55N13O10S5 941.2799 NA PeJP NA NA +PJ091388 GCCNNDMW C36H51N11O13S3 941.283 NA PeJP NA NA +PJ091389 GGGGGCCDMW C36H51N11O13S3 941.2831 NA PeJP NA NA +PJ091390 SCCDDDER C32H51N11O18S2 941.2855 NA PeJP NA NA +PJ091391 GGGGGSSCDDM C32H51N11O18S2 941.2856 NA PeJP NA NA +PJ091392 PCCCDDMR C33H55N11O13S4 941.2864 NA PeJP NA NA +PJ091393 GNDDDDEY C36H47N9O21 941.2887 NA PeJP NA NA +PJ091394 GSCDDEMW C37H51N9O16S2 941.2896 NA PeJP NA NA +PJ091395 GPCCDMMW C38H55N9O11S4 941.2904 NA PeJP NA NA +PJ091396 GSSSDDDEM C33H51N9O21S 941.2921 NA PeJP NA NA +PJ091397 GNDDEMMM C34H55N9O16S3 941.2929 NA PeJP NA NA +PJ091398 SCNDDDHH C34H47N13O17S 941.2934 NA PeJP NA NA +PJ091399 CCDEFYY C42H51N7O14S2 941.2936 NA PeJP NA NA +PJ091400 GPPTCCCMM C35H59N9O11S5 941.2938 NA PeJP NA NA +PJ091401 PCCCNEHH C35H51N13O12S3 941.2943 NA PeJP NA NA +PJ091402 SSSCCNNNN C31H51N13O17S2 941.2968 NA PeJP NA NA +PJ091403 GSPCCCCNR C32H55N13O12S4 941.2976 NA PeJP NA NA +PJ091404 GGGSPCCCCR C32H55N13O12S4 941.2977 NA PeJP NA NA +PJ091405 CCCNQWW C40H51N11O10S3 941.2983 NA PeJP NA NA +PJ091406 PNDDDDDH C35H47N11O20 941.2999 NA PeJP NA NA +PJ091407 SSCCNNEW C36H51N11O15S2 941.3008 NA PeJP NA NA +PJ091408 GCCNMMHF C37H55N11O10S4 941.3017 NA PeJP NA NA +PJ091409 SSSSCNNDE C32H51N11O20S 941.3033 NA PeJP NA NA +PJ091410 NDDDDYW C40H47N9O18 941.3039 NA PeJP NA NA +PJ091411 GGDDDDYW C40H47N9O18 941.304 NA PeJP NA NA +PJ091412 GCDDDMMR C33H55N11O15S3 941.3042 NA PeJP NA NA +PJ091413 SCDDMWW C41H51N9O13S2 941.3048 NA PeJP NA NA +PJ091414 SCCCKMMH C34H59N11O10S5 941.305 NA PeJP NA NA +PJ091415 SSSDDDMW C37H51N9O18S 941.3073 NA PeJP NA NA +PJ091416 NDDMMMW C38H55N9O13S3 941.3082 NA PeJP NA NA +PJ091417 GPCCCHHW C39H51N13O9S3 941.3095 NA PeJP NA NA +PJ091418 SSSSSDDEE C33H51N9O23 941.3098 NA PeJP NA NA +PJ091419 SSNDEEMM C34H55N9O18S2 941.3107 NA PeJP NA NA +PJ091420 SCDEYYY C42H51N7O16S 941.3113 NA PeJP NA NA +PJ091421 SPCNEMMM C35H59N9O13S4 941.3116 NA PeJP NA NA +PJ091422 CCNNNNNF C35H51N13O14S2 941.312 NA PeJP NA NA +PJ091423 GGGGGGGGCCNF C35H51N13O14S2 941.3121 NA PeJP NA NA +PJ091424 PCCMYYY C43H55N7O11S3 941.3122 NA PeJP NA NA +PJ091425 MMMMMMH C36H63N9O8S6 941.3124 NA PeJP NA NA +PJ091426 ACCCCHFR C36H55N13O9S4 941.3129 NA PeJP NA NA +PJ091427 DEEEEEY C38H51N7O21 941.3138 NA PeJP NA NA +PJ091428 SCCNNDMR C32H55N13O14S3 941.3154 NA PeJP NA NA +PJ091429 TCMMMYY C40H59N7O11S4 941.3156 NA PeJP NA NA +PJ091430 GSSCCNWW C40H51N11O12S2 941.316 NA PeJP NA NA +PJ091431 GGGSSCCWW C40H51N11O12S2 941.3161 NA PeJP NA NA +MJ098277 Pepticinnamin; Pepticinnamin F C49H53Cl2N5O10 941.316948 NA MeJP NA NA +PJ091432 GSSSSCNDW C36H51N11O17S 941.3185 NA PeJP NA NA +PJ091433 GGGSSSSCDW C36H51N11O17S 941.3186 NA PeJP NA NA +PJ091434 CCDEMRW C37H55N11O12S3 941.3194 NA PeJP NA NA +PJ091435 GSSSSSSNDD C32H51N11O22 941.321 NA PeJP NA NA +PJ091436 GGGSSSSSSDD C32H51N11O22 941.3211 NA PeJP NA NA +PJ091437 SSCDDEMR C33H55N11O17S2 941.3219 NA PeJP NA NA +PJ091438 GSPCDDYW C41H51N9O15S 941.3226 NA PeJP NA NA +PJ091439 SPCCDMMR C34H59N11O12S4 941.3228 NA PeJP NA NA +PJ091440 GCCDDHHR C34H51N15O13S2 941.3233 NA PeJP NA NA +PJ091441 GCEMMWW C42H55N9O10S3 941.3234 NA PeJP NA NA +PJ091442 GSNDEEEY C37H51N9O20 941.3251 NA PeJP NA NA +PJ091443 GSSDEMMW C38H55N9O15S2 941.3259 NA PeJP NA NA +PJ091444 GGGPDDMMY C38H55N9O15S2 941.326 NA PeJP NA NA +PJ091445 GSPCMMMW C39H59N9O10S4 941.3268 NA PeJP NA NA +PJ091446 CNDMHHW C39H51N13O11S2 941.3273 NA PeJP NA NA +PJ091447 GSSSSEEEM C34H55N9O20S 941.3284 NA PeJP NA NA +PJ091448 GSQEEMMM C35H59N9O15S3 941.3293 NA PeJP NA NA +PJ091449 SCNNNNNY C35H51N13O16S 941.3298 NA PeJP NA NA +PJ091450 GDMMYYY C43H55N7O13S2 941.33 NA PeJP NA NA +PJ091451 GPNMMMMM C36H63N9O10S5 941.3302 NA PeJP NA NA +PJ091452 GSCCCQRW C36H55N13O11S3 941.3307 NA PeJP NA NA +PJ091453 EEEEEMF C39H55N7O18S 941.3325 NA PeJP NA NA +PJ091454 GSSSCCNER C32H55N13O16S2 941.3332 NA PeJP NA NA +PJ091455 CNNNEYW C40H51N11O14S 941.3338 NA PeJP NA NA +PJ091456 GCCNQMMR C33H59N13O11S4 941.334 NA PeJP NA NA +PJ091457 CCCNKWW C41H55N11O9S3 941.3347 NA PeJP NA NA +PJ091458 GSDDDDRY C36H51N11O19 941.3363 NA PeJP NA NA +PJ091459 SSSCNQMW C37H55N11O14S2 941.3372 NA PeJP NA NA +PJ091460 GCDEFWW C45H51N9O12S 941.3378 NA PeJP NA NA +PJ091461 ACCCKMHF C38H59N11O9S4 941.3381 NA PeJP NA NA +PJ091462 CMMWWW C46H55N9O7S3 941.3387 NA PeJP NA NA +PJ091463 SSSSSNNEM C33H55N11O19S 941.3397 NA PeJP NA NA +PJ091464 SNDEEYW C41H51N9O17 941.3403 NA PeJP NA NA +PJ091465 SVCCDEMR C34H59N11O14S3 941.3405 NA PeJP NA NA +PJ091466 GSDDMMMR C34H59N11O14S3 941.3406 NA PeJP NA NA +PJ091467 GSSSCNNHH C34H51N15O15S 941.341 NA PeJP NA NA +PJ091468 SSDMMWW C42H55N9O12S2 941.3412 NA PeJP NA NA +PJ091469 APCCMMMR C35H63N11O9S5 941.3414 NA PeJP NA NA +PJ091470 SPCCCHHR C35H55N15O10S3 941.3419 NA PeJP NA NA +PJ091471 ACCHHWW C43H51N13O8S2 941.3425 NA PeJP NA NA +PJ091472 SSSSEEMW C38H55N9O17S 941.3437 NA PeJP NA NA +PJ091473 GDDFYYY C46H51N7O15 941.3443 NA PeJP NA NA +PJ091474 SQEMMMW C39H59N9O12S3 941.3446 NA PeJP NA NA +PJ091475 GSSCEHHW C39H51N13O13S 941.345 NA PeJP NA NA +PJ091476 GGGPCNDHW C39H51N13O13S 941.3451 NA PeJP NA NA +PJ091477 PCCFFYY C47H55N7O10S2 941.3452 NA PeJP NA NA +PJ091478 GCCCNMRR C32H59N15O10S4 941.3453 NA PeJP NA NA +PJ091479 CMMHHHF C40H55N13O8S3 941.3459 NA PeJP NA NA +PJ091480 SSSSSTEEE C34H55N9O22 941.3462 NA PeJP NA NA +PJ091481 SSTQEEMM C35H59N9O17S2 941.3471 NA PeJP NA NA +PJ091482 GSSSSDEHH C35H51N13O18 941.3475 NA PeJP NA NA +PJ091483 GGGNNEEEH C35H51N13O18 941.3476 NA PeJP NA NA +PJ091484 SSEMYYY C43H55N7O15S 941.3477 NA PeJP NA NA +PJ091485 AAQEMMMM C36H63N9O12S4 941.3479 NA PeJP NA NA +PJ091486 GGGVEMMMM C36H63N9O12S4 941.348 NA PeJP NA NA +PJ091487 SSSCCNRW C36H55N13O13S2 941.3484 NA PeJP NA NA +PJ091488 GMMMFYY C44H59N7O10S3 941.3486 NA PeJP NA NA +PJ091489 GCNNYWW C44H51N11O11S 941.3491 NA PeJP NA NA +PJ091490 SSSSSCNDR C32H55N13O18S 941.3509 NA PeJP NA NA +PJ091491 GSSNNDYW C40H51N11O16 941.3516 NA PeJP NA NA +PJ091492 SSCNNMMR C33H59N13O13S3 941.3518 NA PeJP NA NA +PJ091493 PCCDRYW C41H55N11O11S2 941.3524 NA PeJP NA NA +PJ091494 GGGGGACMFW C41H55N11O11S2 941.3525 NA PeJP NA NA +PJ091495 CDFWWW C49H51N9O9S 941.3531 NA PeJP NA NA +PJ091496 GSSSSSNMW C37H55N11O16S 941.3549 NA PeJP NA NA +PJ091497 GGGGGGGTEMY C37H55N11O16S 941.355 NA PeJP NA NA +PJ091498 GSDEYWW C45H51N9O14 941.3556 NA PeJP NA NA +PJ091499 SCEMMRW C38H59N11O11S3 941.3558 NA PeJP NA NA +PJ091500 GCNNNHHF C38H51N15O12S 941.3563 NA PeJP NA NA +PJ091501 PTCCFWW C46H55N9O9S2 941.3564 NA PeJP NA NA +PJ091502 GPCMYWW C46H55N9O9S2 941.3565 NA PeJP NA NA +PJ091503 GSSSSSSSQE C33H55N11O21 941.3574 NA PeJP NA NA +PJ091504 SSSDEMMR C34H59N11O16S2 941.3583 NA PeJP NA NA +PJ091505 GNNDDDHR C34H51N15O17 941.3588 NA PeJP NA NA +PJ091506 VCEEHYY C42H55N9O14S 941.3589 NA PeJP NA NA +PJ091507 GQEEMYW C42H55N9O14S 941.359 NA PeJP NA NA +PJ091508 NEMMMMR C35H63N11O11S4 941.3592 NA PeJP NA NA +PJ091509 SCCNNKHH C35H55N15O12S2 941.3596 NA PeJP NA NA +PJ091510 GSCDMHHR C35H55N15O12S2 941.3597 NA PeJP NA NA +PJ091511 GTMMMWW C43H59N9O9S3 941.3598 NA PeJP NA NA +PJ091512 SSCHHWW C43H51N13O10S 941.3603 NA PeJP NA NA +PJ091513 ASSQEEEY C38H55N9O19 941.3614 NA PeJP NA NA +PJ091514 GSTQEEEY C38H55N9O19 941.3615 NA PeJP NA NA +PJ091515 GSTTEMMW C39H59N9O14S2 941.3623 NA PeJP NA NA +PJ091516 SSSSDHHW C39H51N13O15 941.3628 NA PeJP NA NA +PJ091517 APCYYYY C47H55N7O12S 941.363 NA PeJP NA NA +PJ091518 VNMMMMW C40H63N9O9S4 941.3632 NA PeJP NA NA +PJ091519 CCNNFRW C40H55N13O10S2 941.3637 NA PeJP NA NA +PJ091520 GSSTTTEEM C35H59N9O19S 941.3648 NA PeJP NA NA +PJ091521 PEEEEFY C43H55N7O17 941.3655 NA PeJP NA NA +PJ091522 GSKEEMMM C36H63N9O14S3 941.3657 NA PeJP NA NA +PJ091523 CDDDRRY C36H55N13O15S 941.3662 NA PeJP NA NA +PJ091524 ATMMYYY C44H59N7O12S2 941.3663 NA PeJP NA NA +PJ091525 APCKMMMM C37H67N9O9S5 941.3666 NA PeJP NA NA +PJ091526 SPDDHWW C44H51N11O13 941.3668 NA PeJP NA NA +PJ091527 GSCCCKRW C37H59N13O10S3 941.367 NA PeJP NA NA +PJ091528 GGAAMMMHH C37H59N13O10S3 941.3671 NA PeJP NA NA +PJ091529 GSCQHHHH C37H51N17O11S 941.3675 NA PeJP NA NA +PJ091530 LEEEEMY C40H59N7O17S 941.3689 NA PeJP NA NA +PJ091531 GSSSSCQMR C33H59N13O15S2 941.3695 NA PeJP NA NA +PJ091532 GDDMRYW C41H55N11O13S 941.3702 NA PeJP NA NA +PJ091533 CDMMMRR C34H63N13O10S4 941.3704 NA PeJP NA NA +PJ091534 SDYWWW C49H51N9O11 941.3708 NA PeJP NA NA +PJ091535 PCCMFRW C42H59N11O8S3 941.3711 NA PeJP NA NA +PJ091536 SSSSSSSQW C37H55N11O18 941.3727 NA PeJP NA NA +PJ091537 NQQQMMY C38H59N11O13S2 941.3735 NA PeJP NA NA +PJ091538 SSSCNKMW C38H59N11O13S2 941.3736 NA PeJP NA NA +PJ091539 GSNNNNHW C38H51N15O14 941.374 NA PeJP NA NA +PJ091540 GGGGGGGGGSHW C38H51N15O14 941.3741 NA PeJP NA NA +PJ091541 QEMYWW C46H55N9O11S 941.3742 NA PeJP NA NA +PJ091542 GMMMMRW C39H63N11O8S4 941.3744 NA PeJP NA NA +PJ091543 TCCHHRW C39H55N15O9S2 941.3749 NA PeJP NA NA +PJ091544 SSSSSTQQM C34H59N11O18S 941.376 NA PeJP NA NA +PJ091545 SSSSSNDKM C34H59N11O18S 941.3761 NA PeJP NA NA +PJ091546 STQEEYW C42H55N9O16 941.3767 NA PeJP NA NA +PJ091547 GSTEMMMR C35H63N11O13S3 941.3769 NA PeJP NA NA +PJ091548 SSSCEHHR C35H55N15O14S 941.3774 NA PeJP NA NA +PJ091549 STTMMWW C43H59N9O11S2 941.3776 NA PeJP NA NA +PJ091550 GNNEHWW C43H51N13O12 941.3781 NA PeJP NA NA +PJ091551 CQMMHHR C36H59N15O9S3 941.3783 NA PeJP NA NA +PJ091552 SSTTTEMW C39H59N9O16S 941.3801 NA PeJP NA NA +PJ091553 AAEYYYY C47H55N7O14 941.3807 NA PeJP NA NA +PJ091554 GSSSSCCRR C32H59N15O14S2 941.3808 NA PeJP NA NA +PJ091555 SKEMMMW C40H63N9O11S3 941.3809 NA PeJP NA NA +PJ091556 TDKMMMW C40H63N9O11S3 941.381 NA PeJP NA NA +PJ091557 SCNNRYW C40H55N13O12S 941.3814 NA PeJP NA NA +PJ091558 GGGGGGPPCHF C40H55N13O12S 941.3815 NA PeJP NA NA +PJ091559 GMMFFFY C48H59N7O9S2 941.3816 NA PeJP NA NA +PJ091560 ACCCCKRR C33H63N15O9S4 941.3817 NA PeJP NA NA +PJ091561 SSSTTTTEE C35H59N9O21 941.3826 NA PeJP NA NA +PJ091562 TTTTQEMM C36H63N9O16S2 941.3834 NA PeJP NA NA +PJ091563 SSTKEEMM C36H63N9O16S2 941.3835 NA PeJP NA NA +PJ091564 SSSNNDRY C36H55N13O17 941.3839 NA PeJP NA NA +PJ091565 GGGGPPDDDR C36H55N13O17 941.384 NA PeJP NA NA +PJ091566 TTTMYYY C44H59N7O14S 941.3841 NA PeJP NA NA +PJ091567 AAKEMMMM C37H67N9O11S4 941.3843 NA PeJP NA NA +PJ091568 NNNMMRY C37H59N13O12S2 941.3848 NA PeJP NA NA +PJ091569 SSSNHHHH C37H51N17O13 941.3853 NA PeJP NA NA +PJ091570 CERYWW C45H55N11O10S 941.3854 NA PeJP NA NA +PJ091571 GPEMHWW C45H55N11O10S 941.3855 NA PeJP NA NA +PJ091572 SSSSSSNMR C33H59N13O17S 941.3873 NA PeJP NA NA +PJ091573 SSDERYW C41H55N11O15 941.3879 NA PeJP NA NA +PJ091574 GGGGGSTTYW C41H55N11O15 941.388 NA PeJP NA NA +PJ091575 SSCCQKMR C34H63N13O12S3 941.3882 NA PeJP NA NA +PJ091576 GCNNNQHR C34H55N17O13S 941.3886 NA PeJP NA NA +PJ091577 GGGGGCNQHR C34H55N17O13S 941.3887 NA PeJP NA NA +PJ091578 SPCMRYW C42H59N11O10S2 941.3888 NA PeJP NA NA +PJ091579 PNDHHHW C42H51N15O11 941.3893 NA PeJP NA NA +PJ091580 AMYWWW C50H55N9O8S 941.3895 NA PeJP NA NA +PJ091581 GSSSSTCKW C38H59N11O15S 941.3913 NA PeJP NA NA +PJ091582 GTTEYWW C46H55N9O13 941.392 NA PeJP NA NA +PJ091583 STMMMRW C39H63N11O10S3 941.3922 NA PeJP NA NA +PJ091584 CNEHHFR C39H55N15O11S 941.3927 NA PeJP NA NA +PJ091585 AAMMFWW C47H59N9O8S2 941.3928 NA PeJP NA NA +PJ091586 NNHWWW C47H51N13O9 941.3933 NA PeJP NA NA +PJ091587 GSSSSSSSKE C34H59N11O20 941.3938 NA PeJP NA NA +PJ091588 SSTTEMMR C35H63N11O15S2 941.3947 NA PeJP NA NA +PJ091589 SSNNQQQH C35H55N15O16 941.3951 NA PeJP NA NA +PJ091590 DDDEHRR C35H55N15O16 941.3952 NA PeJP NA NA +PJ091591 GKEEMYW C43H59N9O13S 941.3953 NA PeJP NA NA +PJ091592 GPPPEEMW C43H59N9O13S 941.3954 NA PeJP NA NA +PJ091593 DKMMMMR C36H67N11O10S4 941.3956 NA PeJP NA NA +PJ091594 TFYYYW C51H55N7O11 941.396 NA PeJP NA NA +PJ091595 GGGGAPCMHR C36H59N15O11S2 941.3961 NA PeJP NA NA +PJ091596 PCKMMFW C44H63N9O8S3 941.3962 NA PeJP NA NA +PJ091597 GQMHHFW C44H55N13O9S 941.3967 NA PeJP NA NA +PJ091598 GSTKEEEY C39H59N9O18 941.3978 NA PeJP NA NA +PJ091599 PPVNEEEE C39H59N9O18 941.3979 NA PeJP NA NA +PJ091600 SSSTLMMW C40H63N9O13S2 941.3987 NA PeJP NA NA +PJ091601 GEEEHRW C40H55N13O14 941.3992 NA PeJP NA NA +PJ091602 GVMFYYY C48H59N7O11S 941.3994 NA PeJP NA NA +PJ091603 CLKMMMW C41H67N9O8S4 941.3996 NA PeJP NA NA +PJ091604 TCKMHHW C41H59N13O9S2 941.4001 NA PeJP NA NA +PJ091605 NNHHHHF C41H51N17O10 941.4005 NA PeJP NA NA +PJ091606 PMHWWW C49H55N11O7S 941.4007 NA PeJP NA NA +PJ091607 SSSSTTLEM C36H63N9O18S 941.4012 NA PeJP NA NA +PJ091608 PLEEEYY C44H59N7O16 941.4019 NA PeJP NA NA +PJ091609 ATTKEMMM C37H67N9O13S3 941.4021 NA PeJP NA NA +PJ091610 SDDMRRY C37H59N13O14S 941.4025 NA PeJP NA NA +PJ091611 GGGSSQMRY C37H59N13O14S 941.4026 NA PeJP NA NA +PJ091612 GVEEHWW C45H55N11O12 941.4032 NA PeJP NA NA +PJ091613 APPCMMHR C38H63N13O9S3 941.4034 NA PeJP NA NA +PJ091614 GSCKHHHH C38H55N17O10S 941.4039 NA PeJP NA NA +PJ091615 GSSSSSSSTR C33H59N13O19 941.405 NA PeJP NA NA +PJ091616 GSSSSCKMR C34H63N13O14S2 941.4059 NA PeJP NA NA +PJ091617 SSNNNNHR C34H55N17O15 941.4064 NA PeJP NA NA +PJ091618 GTEMRYW C42H59N11O12S 941.4066 NA PeJP NA NA +PJ091619 SMMMMRR C35H67N13O9S4 941.4068 NA PeJP NA NA +PJ091620 TTYWWW C50H55N9O10 941.4072 NA PeJP NA NA +PJ091621 GPCCNHRR C35H59N17O10S2 941.4073 NA PeJP NA NA +PJ091622 GCHHFRW C43H55N15O8S 941.4079 NA PeJP NA NA +PJ091623 SSSSSSSKW C38H59N11O17 941.4091 NA PeJP NA NA +PJ091624 SSTCCKKW C39H63N11O12S2 941.4099 NA PeJP NA NA +PJ091625 GGVEMMRY C39H63N11O12S2 941.41 NA PeJP NA NA +PJ091626 SNNEHRW C39H55N15O13 941.4104 NA PeJP NA NA +PJ091627 KEMYWW C47H59N9O10S 941.4106 NA PeJP NA NA +PJ091628 LMMHHHH C40H59N15O8S2 941.4113 NA PeJP NA NA +PJ091629 THHHHHH C40H51N19O9 941.4118 NA PeJP NA NA +PJ091630 SSSSSTQKM C35H63N11O17S 941.4124 NA PeJP NA NA +PJ091631 STKEEYW C43H59N9O15 941.4131 NA PeJP NA NA +PJ091632 SSSLMMMR C36H67N11O12S3 941.4133 NA PeJP NA NA +PJ091633 GSSCNRRY C36H59N15O13S 941.4138 NA PeJP NA NA +PJ091634 SPKMMYW C44H63N9O10S2 941.414 NA PeJP NA NA +PJ091635 EEHRWW C44H55N13O11 941.4144 NA PeJP NA NA +PJ091636 GGGDKHWW C44H55N13O11 941.4145 NA PeJP NA NA +PJ091637 GMFFFFF C52H59N7O8S 941.4146 NA PeJP NA NA +PJ091638 CKMMHHR C37H63N15O8S3 941.4147 NA PeJP NA NA +PJ091639 TTTTTTMW C40H63N9O15S 941.4165 NA PeJP NA NA +PJ091640 GTLYYYY C48H59N7O13 941.4171 NA PeJP NA NA +PJ091641 AAPKMMMY C41H67N9O10S3 941.4173 NA PeJP NA NA +PJ091642 GGGVLMMMF C41H67N9O10S3 941.4174 NA PeJP NA NA +PJ091643 SPEMHRW C41H59N13O11S 941.4178 NA PeJP NA NA +PJ091644 VEHWWW C49H55N11O9 941.4185 NA PeJP NA NA +PJ091645 STTTTTTTE C36H63N9O20 941.4189 NA PeJP NA NA +PJ091646 TTTTTTTTD C36H63N9O20 941.419 NA PeJP NA NA +PJ091647 TTTTKEMM C37H67N9O15S2 941.4198 NA PeJP NA NA +PJ091648 SSSSQQRY C37H59N13O16 941.4203 NA PeJP NA NA +PJ091649 GGGGGGGGGAPLE C37H59N13O16 941.4204 NA PeJP NA NA +PJ091650 GTLKMMMM C38H71N9O10S4 941.4207 NA PeJP NA NA +PJ091651 GEMMRRY C38H63N13O11S2 941.4212 NA PeJP NA NA +PJ091652 QQQQHHH C38H55N17O12 941.4216 NA PeJP NA NA +PJ091653 GSPDHHHR C38H55N17O12 941.4217 NA PeJP NA NA +PJ091654 TMRYWW C46H59N11O9S 941.4218 NA PeJP NA NA +PJ091655 AFFWWW C54H55N9O7 941.4225 NA PeJP NA NA +PJ091656 SSSSSTCKR C34H63N13O16S 941.4237 NA PeJP NA NA +PJ091657 STTERYW C42H59N11O14 941.4243 NA PeJP NA NA +PJ091658 GGGGSPPVEW C42H59N11O14 941.4244 NA PeJP NA NA +PJ091659 SSCCKKMR C35H67N13O11S3 941.4246 NA PeJP NA NA +PJ091660 NNDMHRR C35H59N17O12S 941.425 NA PeJP NA NA +PJ091661 GGGGGGGCKHR C35H59N17O12S 941.4251 NA PeJP NA NA +PJ091662 GVMMRYW C43H63N11O9S2 941.4252 NA PeJP NA NA +PJ091663 GSNHRWW C43H55N15O10 941.4257 NA PeJP NA NA +PJ091664 SKEEMRY C39H63N11O14S 941.4277 NA PeJP NA NA +PJ091665 SSTLYWW C47H59N9O12 941.4283 NA PeJP NA NA +PJ091666 PPVEEWW C47H59N9O12 941.4284 NA PeJP NA NA +PJ091667 VQMMMFR C40H67N11O9S3 941.4286 NA PeJP NA NA +PJ091668 GQQMHRW C40H59N15O10S 941.429 NA PeJP NA NA +PJ091669 GGAQMHRW C40H59N15O10S 941.4291 NA PeJP NA NA +PJ091670 AHHHFFF C48H55N13O8 941.4297 NA PeJP NA NA +PJ091671 GSSSSSTTTK C35H63N11O19 941.4302 NA PeJP NA NA +PJ091672 TTTTTMMR C36H67N11O14S2 941.4311 NA PeJP NA NA +PJ091673 SEEEHRR C36H59N15O15 941.4315 NA PeJP NA NA +PJ091674 TDEEHRR C36H59N15O15 941.4316 NA PeJP NA NA +PJ091675 SVKEMYW C44H63N9O12S 941.4317 NA PeJP NA NA +PJ091676 ACCKKKMM C37H71N11O9S4 941.432 NA PeJP NA NA +PJ091677 GVFFFYY C52H59N7O10 941.4324 NA PeJP NA NA +PJ091678 NNQHHHR C37H55N19O11 941.4329 NA PeJP NA NA +5477 antibacterial peptide from cathepsin G (human) HPQYNQR 941.4329 ACE inhibitor Inhouse_peptide NA peptide +PJ091679 PPCHFRW C45H59N13O8S 941.4331 NA PeJP NA NA +PJ091680 SSSLKEEY C40H63N9O17 941.4342 NA PeJP NA NA +PJ091681 LQKEMMY C41H67N9O12S2 941.4351 NA PeJP NA NA +PJ091682 SVEEHRW C41H59N13O13 941.4356 NA PeJP NA NA +PJ091683 MMRRYW C42H63N13O8S2 941.4364 NA PeJP NA NA +PJ091684 SSTTTTTLM C37H67N9O17S 941.4376 NA PeJP NA NA +PJ091685 LLEEEFY C45H63N7O15 941.4383 NA PeJP NA NA +PJ091686 STTLKMMM C38H71N9O12S3 941.4385 NA PeJP NA NA +PJ091687 STEMRRY C38H63N13O13S 941.4389 NA PeJP NA NA +PJ091688 GALEEMHR C38H63N13O13S 941.439 NA PeJP NA NA +PJ091689 ATLEHWW C46H59N11O11 941.4396 NA PeJP NA NA +PJ091690 AMMMFRR C39H67N13O8S3 941.4398 NA PeJP NA NA +PJ091691 GCQHRRW C39H59N17O9S 941.4403 NA PeJP NA NA +PJ091692 GSSNEHRR C35H59N17O14 941.4428 NA PeJP NA NA +PJ091693 SSLMRYW C43H63N11O11S 941.4429 NA PeJP NA NA +PJ091694 TTCLRYW C43H63N11O11S 941.443 NA PeJP NA NA +PJ091695 PKYYWW C51H59N9O9 941.4436 NA PeJP NA NA +PJ091696 SSTTQQKY C39H63N11O16 941.4454 NA PeJP NA NA +PJ091697 SSSTLERY C39H63N11O16 941.4455 NA PeJP NA NA +PJ091698 VDKMMRY C40H67N11O11S2 941.4463 NA PeJP NA NA +PJ091699 GGGAPPPKMM C40H67N11O11S2 941.4464 NA PeJP NA NA +PJ091700 SNDKHRW C40H59N15O12 941.4468 NA PeJP NA NA +PJ091701 APKMFYW C48H63N9O9S 941.447 NA PeJP NA NA +PJ091702 SSSSSTKKM C36H67N11O16S 941.4488 NA PeJP NA NA +PJ091703 SSSSLLYW C44H63N9O14 941.4495 NA PeJP NA NA +PJ091704 SSCKKKMM C37H71N11O11S3 941.4497 NA PeJP NA NA +PJ091705 VDEMHRR C37H63N15O12S 941.4502 NA PeJP NA NA +PJ091706 ALKMMYW C45H67N9O9S2 941.4503 NA PeJP NA NA +PJ091707 APPPLMMW C45H67N9O9S2 941.4504 NA PeJP NA NA +PJ091708 SPPNRWW C45H59N13O10 941.4508 NA PeJP NA NA +PJ091709 PCHHHRR C38H59N19O8S 941.4515 NA PeJP NA NA +PJ091710 ATTLDKMY C41H67N9O14S 941.4528 NA PeJP NA NA +PJ091711 GTTLKEMY C41H67N9O14S 941.4529 NA PeJP NA NA +PJ091712 AALKMMMF C42H71N9O9S3 941.4537 NA PeJP NA NA +PJ091713 ALEMHRW C42H63N13O10S 941.4542 NA PeJP NA NA +PJ091714 TFFRWW C50H59N11O8 941.4548 NA PeJP NA NA +PJ091715 GPLHFWW C50H59N11O8 941.4549 NA PeJP NA NA +PJ091716 SSSSQKRY C38H63N13O15 941.4567 NA PeJP NA NA +PJ091717 SVMMRRY C39H67N13O10S2 941.4576 NA PeJP NA NA +PJ091718 SSNHRRW C39H59N17O11 941.458 NA PeJP NA NA +PJ091719 GGLEHHHR C39H59N17O11 941.4581 NA PeJP NA NA +PJ091720 GLLMHWW C47H63N11O8S 941.4582 NA PeJP NA NA +PJ091721 GSSSKKYW C43H63N11O13 941.4607 NA PeJP NA NA +PJ091722 SQQMHRR C36H63N17O11S 941.4614 NA PeJP NA NA +PJ091723 CCKKKFW C44H67N11O8S2 941.4616 NA PeJP NA NA +PJ091724 PTKHHHW C44H59N15O9 941.4621 NA PeJP NA NA +PJ091725 GTTTLMRY C40H67N11O13S 941.4641 NA PeJP NA NA +PJ091726 SPVKYYW C48H63N9O11 941.4647 NA PeJP NA NA +PJ091727 GPPPLEFW C48H63N9O11 941.4648 NA PeJP NA NA +PJ091728 VKMMMFR C41H71N11O8S3 941.465 NA PeJP NA NA +PJ091729 PPCQRRW C41H63N15O9S 941.4654 NA PeJP NA NA +PJ091730 PQQEERR C37H63N15O14 941.4679 NA PeJP NA NA +PJ091731 AAAAPDDRR C37H63N15O14 941.468 NA PeJP NA NA +PJ091732 TTLKMYW C45H67N9O11S 941.4681 NA PeJP NA NA +PJ091733 APCCKKHR C38H67N15O9S2 941.4688 NA PeJP NA NA +PJ091734 AEHHHRR C38H59N19O10 941.4693 NA PeJP NA NA +PJ091735 MFFRRW C46H63N13O7S 941.4695 NA PeJP NA NA +PJ091736 STTTLKEY C41H67N9O16 941.4706 NA PeJP NA NA +PJ091737 LKKEMMY C42H71N9O11S2 941.4715 NA PeJP NA NA +PJ091738 TTLEHRW C42H63N13O12 941.4719 NA PeJP NA NA +PJ091739 PVQQERW C42H63N13O12 941.472 NA PeJP NA NA +PJ091740 SCQHRRR C35H63N19O10S 941.4726 NA PeJP NA NA +PJ091741 GGTCHRRR C35H63N19O10S 941.4727 NA PeJP NA NA +PJ091742 GLHHHRW C43H59N17O8 941.4733 NA PeJP NA NA +PJ091743 LLLEEYY C46H67N7O14 941.4746 NA PeJP NA NA +PJ091744 GSTCKKRY C39H67N13O12S 941.4753 NA PeJP NA NA +PJ091745 GGGGGGPPKKM C39H67N13O12S 941.4754 NA PeJP NA NA +PJ091746 STLLHWW C47H63N11O10 941.476 NA PeJP NA NA +PJ091747 GCKHRRW C40H63N17O8S 941.4767 NA PeJP NA NA +PJ091748 PNDERRR C36H63N17O13 941.4792 NA PeJP NA NA +PJ091749 SCKKKYW C44H67N11O10S 941.4793 NA PeJP NA NA +PJ091750 LLDKMHW C44H67N11O10S 941.4794 NA PeJP NA NA +PJ091751 LKFYWW C52H63N9O8 941.48 NA PeJP NA NA +PJ091752 STTTTLRY C40H67N11O15 941.4818 NA PeJP NA NA +PJ091753 GPLLEEER C40H67N11O15 941.4819 NA PeJP NA NA +PJ091754 TLKMMRY C41H71N11O10S2 941.4827 NA PeJP NA NA +PJ091755 APQERRW C41H63N15O11 941.4832 NA PeJP NA NA +PJ091756 PPLLMWW C49H67N9O8S 941.4834 NA PeJP NA NA +PJ091757 GPVLLEEW C45H67N9O13 941.4859 NA PeJP NA NA +PJ091758 TLEMHRR C38H67N15O11S 941.4866 NA PeJP NA NA +PJ091759 GPLQRWW C46H63N13O9 941.4872 NA PeJP NA NA +PJ091760 SSTLLKMY C42H71N9O13S 941.4892 NA PeJP NA NA +PJ091761 PPVLKEEM C42H71N9O13S 941.4893 NA PeJP NA NA +PJ091762 GSSSHRRR C35H63N19O12 941.4904 NA PeJP NA NA +PJ091763 SLLMHRW C43H67N13O9S 941.4906 NA PeJP NA NA +PJ091764 SSSSKKRY C39H67N13O14 941.4931 NA PeJP NA NA +PJ091765 AALLMMHR C40H71N13O9S2 941.494 NA PeJP NA NA +PJ091766 GPDRRRW C40H63N17O10 941.4944 NA PeJP NA NA +PJ091767 PLLEERW C44H67N11O12 941.4971 NA PeJP NA NA +PJ091768 GPPTCRRR C37H67N17O10S 941.4978 NA PeJP NA NA +PJ091769 VVKHHHW C45H63N15O8 941.4984 NA PeJP NA NA +PJ091770 AAPRRWW C45H63N15O8 941.4985 NA PeJP NA NA +MJ098278 Kabiramide C C48H71N5O14 941.499752 NA MeJP NA NA +PJ091771 GSTKKKMY C41H71N11O12S 941.5005 NA PeJP NA NA +PJ091772 PVLLEWW C49H67N9O10 941.5011 NA PeJP NA NA +PJ091773 PPCKRRW C42H67N15O8S 941.5018 NA PeJP NA NA +PJ091774 PQKEERR C38H67N15O13 941.5043 NA PeJP NA NA +PJ091775 GGGGGGGAALLR C38H67N15O13 941.5044 NA PeJP NA NA +PJ091776 SPPVLLMW C46H71N9O10S 941.5045 NA PeJP NA NA +PJ091777 VLMMHRR C39H71N15O8S2 941.5052 NA PeJP NA NA +PJ091778 GNHFRRR C39H63N19O9 941.5057 NA PeJP NA NA +PJ091779 PVVLKEEE C42H71N9O15 941.507 NA PeJP NA NA +PJ091780 PPLLLQMM C43H75N9O10S2 941.5079 NA PeJP NA NA +PJ091781 PVQKERW C43H67N13O11 941.5083 NA PeJP NA NA +PJ091782 GGPLKERW C43H67N13O11 941.5084 NA PeJP NA NA +PJ091783 SCKHRRR C36H67N19O9S 941.509 NA PeJP NA NA +5445 tryptophan-modified porcine lactoferricin (LFP W8) SKCRQWQWKIRRTNP 941.5114 MH2+ Inhouse_peptide NA peptide +PJ091784 ATTLLMHR C40H71N13O11S 941.5117 NA PeJP NA NA +PJ091785 PPTKKWW C48H67N11O9 941.5124 NA PeJP NA NA +PJ091786 VQQQQRR C37H67N17O12 941.5155 NA PeJP NA NA +PJ091787 PTQERRR C37H67N17O12 941.5156 NA PeJP NA NA +PJ091788 GPPVKKMW C45H71N11O9S 941.5157 NA PeJP NA NA +PJ091789 SSTTKKKY C41H71N11O14 941.5182 NA PeJP NA NA +PJ091790 GGPVVKKEE C41H71N11O14 941.5183 NA PeJP NA NA +PJ091791 PPVVLMMR C42H75N11O9S2 941.5191 NA PeJP NA NA +PJ091792 APKERRW C42H67N15O10 941.5196 NA PeJP NA NA +PJ091793 AATLLKYY C46H71N9O12 941.5222 NA PeJP NA NA +PJ091794 APTLLLEW C46H71N9O12 941.5223 NA PeJP NA NA +PJ091795 DKKKMHR C39H71N15O10S 941.5229 NA PeJP NA NA +PJ091796 GPPTKMRR C39H71N15O10S 941.523 NA PeJP NA NA +PJ091797 GPLKRWW C47H67N13O8 941.5236 NA PeJP NA NA +PJ091798 PVLLLQEM C43H75N9O12S 941.5256 NA PeJP NA NA +PJ091799 SPDRRRR C36H67N19O11 941.5268 NA PeJP NA NA +PJ091800 PPKKMRW C44H71N13O8S 941.527 NA PeJP NA NA +PJ091801 TTTTLLHR C40H71N13O13 941.5295 NA PeJP NA NA +PJ091802 APTRRRW C41H67N17O9 941.5308 NA PeJP NA NA +PJ091803 AAPLKKEW C45H71N11O11 941.5335 NA PeJP NA NA +PJ091804 PVQMRRR C38H71N17O9S 941.5342 NA PeJP NA NA +PJ091805 APLLLEMR C42H75N11O11S 941.5369 NA PeJP NA NA +PJ091806 GPPLLLFW C50H71N9O9 941.5375 NA PeJP NA NA +PJ091807 GNQRRRR C35H67N21O10 941.538 NA PeJP NA NA +PJ091808 PKKEERR C39H71N15O12 941.5407 NA PeJP NA NA +PJ091809 GPLLLLMW C47H75N9O9S 941.5409 NA PeJP NA NA +PJ091810 PTLLLKEE C43H75N9O14 941.5434 NA PeJP NA NA +PJ091811 PPLLLKMM C44H79N9O9S2 941.5443 NA PeJP NA NA +PJ091812 PVKKERW C44H71N13O10 941.5447 NA PeJP NA NA +PJ091813 APMRRRR C37H71N19O8S 941.5454 NA PeJP NA NA +PJ091814 SPPVKKMR C41H75N13O10S 941.5481 NA PeJP NA NA +PJ091815 PVVKKWW C49H71N11O8 941.5488 NA PeJP NA NA +PJ091816 PTKERRR C38H71N17O11 941.5519 NA PeJP NA NA +PJ091817 GGVLERRR C38H71N17O11 941.552 NA PeJP NA NA +PJ091818 GLLLLEER C42H75N11O13 941.5546 NA PeJP NA NA +PJ091819 SPLKRRW C43H71N15O9 941.556 NA PeJP NA NA +PJ091820 AVVLLLEW C47H75N9O11 941.5586 NA PeJP NA NA +PJ091821 GVLLLLEW C47H75N9O11 941.5587 NA PeJP NA NA +PJ091822 AAPLKMRR C40H75N15O9S 941.5593 NA PeJP NA NA +PJ091823 PVLLLKEM C44H79N9O11S 941.562 NA PeJP NA NA +PJ091824 GLERRRR C37H71N19O10 941.5632 NA PeJP NA NA +PJ091825 STTLKKKH C41H75N13O12 941.5658 NA PeJP NA NA +PJ091826 APTLKKER C41H75N13O12 941.5659 NA PeJP NA NA +PJ091827 GVLRRRW C42H71N17O8 941.5672 NA PeJP NA NA +PJ091828 LLLLERW C46H75N11O10 941.5699 NA PeJP NA NA +PJ091829 PVKMRRR C39H75N17O8S 941.5706 NA PeJP NA NA +PJ091830 SPLLLLMR C43H79N11O10S 941.5733 NA PeJP NA NA +PJ091831 VLLLLWW C51H75N9O8 941.5739 NA PeJP NA NA +PJ091832 GNKRRRR C36H71N21O9 941.5744 NA PeJP NA NA +PJ091833 LLQKERR C40H75N15O11 941.5771 NA PeJP NA NA +PJ091834 LRRRRW C41H71N19O7 941.5784 NA PeJP NA NA +PJ091835 VVLLLKEE C44H79N9O13 941.5798 NA PeJP NA NA +2923 neuropeptide from eyestalk of Macrobrachium rosenb APALRLRF~ 941.58 antibacterial Inhouse_peptide NA peptide +PJ091836 VLLQKRW C45H75N13O9 941.5811 NA PeJP NA NA +PJ091837 GPLLKKMR C42H79N13O9S 941.5845 NA PeJP NA NA +PJ091838 VVKERRR C39H75N17O10 941.5883 NA PeJP NA NA +PJ091839 SVLLLLER C43H79N11O12 941.591 NA PeJP NA NA +PJ091840 ALLKRRW C44H75N15O8 941.5923 NA PeJP NA NA +PJ091841 ATLLLLLW C48H79N9O10 941.595 NA PeJP NA NA +PJ091842 VLLLLLQM C45H83N9O10S 941.5984 NA PeJP NA NA +PJ091843 SVLRRRR C38H75N19O9 941.5996 NA PeJP NA NA +PJ091844 AVVLKKER C42H79N13O11 941.6022 NA PeJP NA NA +PJ091845 GVLLKKER C42H79N13O11 941.6023 NA PeJP NA NA +PJ091846 AALLLKKW C47H79N11O9 941.6063 NA PeJP NA NA +PJ091847 ALLLLLMR C44H83N11O9S 941.6096 NA PeJP NA NA +PJ091848 LLKKERR C41H79N15O10 941.6135 NA PeJP NA NA +PJ091849 TLLLLLKE C45H83N9O12 941.6162 NA PeJP NA NA +PJ091850 VLLKKRW C46H79N13O8 941.6175 NA PeJP NA NA +PJ091851 TLLKRRR C40H79N17O9 941.6247 NA PeJP NA NA +PJ091852 TTLLLLLR C44H83N11O11 941.6274 NA PeJP NA NA +PJ091853 PVLLLLKF C49H83N9O9 941.6314 NA PeJP NA NA +PJ091854 VLLLLLKM C46H87N9O9S 941.6348 NA PeJP NA NA +PJ091855 AKKKRRR C39H79N19O8 941.636 NA PeJP NA NA +PJ091856 ATLLLKKR C43H83N13O10 941.6386 NA PeJP NA NA +PJ091857 AALKKKKR C42H83N15O9 941.6499 NA PeJP NA NA +PJ091858 VKKKKRR C41H83N17O8 941.6611 NA PeJP NA NA +PJ091859 SLLLLKKK C45H87N11O10 941.6638 NA PeJP NA NA +PJ091860 GLLKKKKK C44H87N13O9 941.675 NA PeJP NA NA +3913 uperin 3,6 GVIDAAKKVVNVLKNLFG 942.05135 MH2+ Inhouse_peptide NA peptide +3918 uperin 3,6 GVIDAAKKVVNVLKNLFG 942.05135 MH2+ Inhouse_peptide NA peptide +PJ091861 CCCCCDMY C33H50N8O12S6 942.1873 NA PeJP NA NA +PJ091862 CCCCCMMF C34H54N8O9S7 942.2059 NA PeJP NA NA +PJ091863 CCCCDEMH C32H50N10O13S5 942.2163 NA PeJP NA NA +PJ091864 CCCCCDFF C37H50N8O11S5 942.2203 NA PeJP NA NA +PJ091865 CDDDDDDM C32H46N8O21S2 942.2219 NA PeJP NA NA +PJ091866 SCCCCMMY C34H54N8O11S6 942.2237 NA PeJP NA NA +PJ091867 GSCCCCCQH C31H50N12O12S5 942.2275 NA PeJP NA NA +PJ091868 GSCCNDDDD C31H46N10O20S2 942.2332 NA PeJP NA NA +PJ091869 GPCCCCNDE C32H50N10O15S4 942.234 NA PeJP NA NA +PJ091870 GGGPCCCCDE C32H50N10O15S4 942.2341 NA PeJP NA NA +PJ091871 GCCCCEYY C37H50N8O13S4 942.2381 NA PeJP NA NA +PJ091872 SSSCCCCNH C31H50N12O14S4 942.2453 NA PeJP NA NA +PJ091873 PCCCCNDW C36H50N10O12S4 942.2493 NA PeJP NA NA +PJ091874 CCNNDDEM C32H50N10O17S3 942.2518 NA PeJP NA NA +PJ091875 SCCCEMMH C33H54N10O12S5 942.2527 NA PeJP NA NA +PJ091876 CCCCYYW C41H50N8O10S4 942.2533 NA PeJP NA NA +PJ091877 SSCCCDYY C37H50N8O15S3 942.2558 NA PeJP NA NA +PJ091878 ACCCCMFY C38H54N8O10S5 942.2567 NA PeJP NA NA +PJ091879 SDDDDDMM C33H50N8O20S2 942.2583 NA PeJP NA NA +PJ091880 PCCDDEMM C34H54N8O15S4 942.2592 NA PeJP NA NA +PJ091881 CCCCNNHF C35H50N12O11S4 942.2605 NA PeJP NA NA +PJ091882 CCCNDDDR C31H50N12O16S3 942.263 NA PeJP NA NA +PJ091883 GGGGGGGSCCCE C31H50N12O16S3 942.2631 NA PeJP NA NA +PJ091884 GSCCCCCKH C32H54N12O11S5 942.2639 NA PeJP NA NA +PJ091885 GCCNDDMW C36H50N10O14S3 942.2671 NA PeJP NA NA +PJ091886 PCCCCMHF C37H54N10O9S5 942.2679 NA PeJP NA NA +PJ091887 GSSCCDDQE C32H50N10O19S2 942.2695 NA PeJP NA NA +PJ091888 GSSCNDDDM C32H50N10O19S2 942.2696 NA PeJP NA NA +PJ091889 GSPCCCNEM C33H54N10O14S4 942.2704 NA PeJP NA NA +PJ091890 GCCMMMMH C34H58N10O9S6 942.2713 NA PeJP NA NA +PJ091891 TCCCCHHH C34H50N14O10S4 942.2718 NA PeJP NA NA +PJ091892 GDDDDDEY C36H46N8O22 942.2727 NA PeJP NA NA +PJ091893 PCCDDDEF C37H50N8O17S2 942.2736 NA PeJP NA NA +PJ091894 GTCCCMYY C38H54N8O12S4 942.2744 NA PeJP NA NA +PJ091895 GDDDEMMM C34H54N8O17S3 942.277 NA PeJP NA NA +PJ091896 SCDDDDHH C34H46N12O18S 942.2774 NA PeJP NA NA +PJ091897 SCCCNNNW C35H50N12O13S3 942.2783 NA PeJP NA NA +MJ098279 Naamidine A; O11-Me, Zn complex with naamidine A C47H46N10O8Zn 942.279155 NA MeJP NA NA +PJ091898 SSSCCNNND C31H50N12O18S2 942.2808 NA PeJP NA NA +PJ091899 CCNNNNMM C32H54N12O13S4 942.2816 NA PeJP NA NA +PJ091900 GSPCCCCDR C32H54N12O13S4 942.2817 NA PeJP NA NA +PJ091901 CCCNEWW C40H50N10O11S3 942.2823 NA PeJP NA NA +PJ091902 PDDDDDDH C35H46N10O21 942.284 NA PeJP NA NA +PJ091903 SSCCNDEW C36H50N10O16S2 942.2848 NA PeJP NA NA +PJ091904 SPCCCNMW C37H54N10O11S4 942.2857 NA PeJP NA NA +PJ091905 SSSSCNDDE C32H50N10O21S 942.2873 NA PeJP NA NA +PJ091906 DDDDDYW C40H46N8O19 942.288 NA PeJP NA NA +PJ091907 SCNNDEMM C33H54N10O16S3 942.2882 NA PeJP NA NA +PJ091908 CCNDYYY C41H50N8O14S2 942.2888 NA PeJP NA NA +PJ091909 STCCMMMH C34H58N10O11S5 942.289 NA PeJP NA NA +PJ091910 GGPCCNMMM C34H58N10O11S5 942.2891 NA PeJP NA NA +PJ091911 ACCCCFFF C42H54N8O9S4 942.2897 NA PeJP NA NA +PJ091912 SPCDDDEY C37H50N8O19S 942.2913 NA PeJP NA NA +PJ091913 DDDMMMW C38H54N8O14S3 942.2922 NA PeJP NA NA +PJ091914 CCCCNNQR C31H54N14O12S4 942.2929 NA PeJP NA NA +PJ091915 SSDDEEMM C34H54N8O19S2 942.2947 NA PeJP NA NA +PJ091916 SPCDEMMM C35H58N8O14S4 942.2956 NA PeJP NA NA +PJ091917 CCNNNNDF C35H50N12O15S2 942.296 NA PeJP NA NA +PJ091918 GGGGCCNNDF C35H50N12O15S2 942.2961 NA PeJP NA NA +PJ091919 PPCCMMMM C36H62N8O9S6 942.2964 NA PeJP NA NA +PJ091920 GCCCWWW C44H50N10O8S3 942.2976 NA PeJP NA NA +PJ091921 SCCNDDMR C32H54N12O15S3 942.2994 NA PeJP NA NA +PJ091922 GSSCCDWW C40H50N10O13S2 942.3001 NA PeJP NA NA +PJ091923 PCCCCQMR C33H58N12O10S5 942.3003 NA PeJP NA NA +MJ098280 Jasamplexoside A C42H54O24 942.300502 NA MeJP NA NA +PJ091924 GSSSSCDDW C36H50N10O18S 942.3026 NA PeJP NA NA +PJ091925 GSCNDMMW C37H54N10O13S3 942.3034 NA PeJP NA NA +PJ091926 GGGGPCCDMF C37H54N10O13S3 942.3035 NA PeJP NA NA +PJ091927 GCCCHHHF C38H50N14O9S3 942.3048 NA PeJP NA NA +PJ091928 GSSSSSSDDD C32H50N10O23 942.3051 NA PeJP NA NA +PJ091929 GSSSNDDMM C33H54N10O18S2 942.3059 NA PeJP NA NA +PJ091930 DDDDMFW C41H50N8O16S 942.3066 NA PeJP NA NA +PJ091931 GNNDMMMM C34H58N10O13S4 942.3068 NA PeJP NA NA +PJ091932 SCCNNEHH C34H50N14O14S2 942.3073 NA PeJP NA NA +PJ091933 CCNMFYY C42H54N8O11S3 942.3074 NA PeJP NA NA +PJ091934 GGCCMFYY C42H54N8O11S3 942.3075 NA PeJP NA NA +PJ091935 GSDDEEEY C37H50N8O21 942.3091 NA PeJP NA NA +PJ091936 GPDDDMMY C38H54N8O16S2 942.31 NA PeJP NA NA +PJ091937 GSSCCCNNR C31H54N14O14S3 942.3106 NA PeJP NA NA +PJ091938 GGGSSCCCNR C31H54N14O14S3 942.3107 NA PeJP NA NA +PJ091939 PPCCDMMF C39H58N8O11S4 942.3108 NA PeJP NA NA +PJ091940 CDDMHHW C39H50N12O12S2 942.3113 NA PeJP NA NA +PJ091941 PCCCCCRR C32H58N14O9S5 942.3115 NA PeJP NA NA +PJ091942 GSEEEMMM C35H58N8O16S3 942.3133 NA PeJP NA NA +PJ091943 SCNNNNDY C35H50N12O17S 942.3138 NA PeJP NA NA +PJ091944 GPDMMMMM C36H62N8O11S5 942.3142 NA PeJP NA NA +PJ091945 GSCCCERW C36H54N12O12S3 942.3147 NA PeJP NA NA +PJ091946 GSSSCCDER C32H54N12O17S2 942.3172 NA PeJP NA NA +PJ091947 CNNDEYW C40H50N10O15S 942.3178 NA PeJP NA NA +PJ091948 GCCNEMMR C33H58N12O12S4 942.318 NA PeJP NA NA +PJ091949 GGGCCEMMR C33H58N12O12S4 942.3181 NA PeJP NA NA +PJ091950 SCCQMWW C41H54N10O10S3 942.3187 NA PeJP NA NA +PJ091951 SSNNDDEY C36H50N10O20 942.3203 NA PeJP NA NA +PJ091952 SSSCNEMW C37H54N10O15S2 942.3212 NA PeJP NA NA +PJ091953 CNQMMMW C38H58N10O10S4 942.322 NA PeJP NA NA +PJ091954 GGCQMMMW C38H58N10O10S4 942.3221 NA PeJP NA NA +PJ091955 GSCCNHHW C38H50N14O11S2 942.3225 NA PeJP NA NA +PJ091956 SSSSSNDEM C33H54N10O20S 942.3237 NA PeJP NA NA +PJ091957 SDDEEYW C41H50N8O18 942.3243 NA PeJP NA NA +PJ091958 GPDDDDFY C41H50N8O18 942.3244 NA PeJP NA NA +PJ091959 SSNNEMMM C34H58N10O15S3 942.3246 NA PeJP NA NA +PJ091960 GSSSCNDHH C34H50N14O16S 942.325 NA PeJP NA NA +PJ091961 PCDEMYW C42H54N8O13S2 942.3252 NA PeJP NA NA +PJ091962 PCCCQKMM C35H62N10O10S5 942.3254 NA PeJP NA NA +PJ091963 GCNNMMHH C35H54N14O11S3 942.3259 NA PeJP NA NA +PJ091964 NEEEEMY C38H54N8O18S 942.3277 NA PeJP NA NA +PJ091965 SEEMMMW C39H58N8O13S3 942.3286 NA PeJP NA NA +PJ091966 GPCNDDHW C39H50N12O14S 942.3291 NA PeJP NA NA +PJ091967 GCCCDMRR C32H58N14O11S4 942.3293 NA PeJP NA NA +PJ091968 SCCCRWW C40H54N12O9S3 942.3299 NA PeJP NA NA +PJ091969 SSTEEEMM C35H58N8O18S2 942.3311 NA PeJP NA NA +PJ091970 GNNDEEEH C35H50N12O19 942.3316 NA PeJP NA NA +PJ091971 AAEEMMMM C36H62N8O13S4 942.332 NA PeJP NA NA +PJ091972 SSSCCDRW C36H54N12O14S2 942.3324 NA PeJP NA NA +PJ091973 GGGGGGGGACMY C36H54N12O14S2 942.3325 NA PeJP NA NA +PJ091974 GCNDYWW C44H50N10O12S 942.3331 NA PeJP NA NA +PJ091975 CCNMMRW C37H58N12O9S4 942.3333 NA PeJP NA NA +PJ091976 SSSSSCDDR C32H54N12O19S 942.3349 NA PeJP NA NA +PJ091977 GSSNDDYW C40H50N10O17 942.3356 NA PeJP NA NA +PJ091978 SSCNDMMR C33H58N12O14S3 942.3358 NA PeJP NA NA +PJ091979 CNNNNNNH C33H50N16O15S 942.3363 NA PeJP NA NA +PJ091980 GSSSCMWW C41H54N10O12S2 942.3364 NA PeJP NA NA +PJ091981 GGGPTCCYW C41H54N10O12S2 942.3365 NA PeJP NA NA +PJ091982 PCCCCKMR C34H62N12O9S5 942.3367 NA PeJP NA NA +PJ091983 GCCCQHHR C34H54N16O10S3 942.3371 NA PeJP NA NA +PJ091984 GGACCCHHR C34H54N16O10S3 942.3372 NA PeJP NA NA +PJ091985 GSSSSSDMW C37H54N10O17S 942.3389 NA PeJP NA NA +PJ091986 GGGSNEEMY C37H54N10O17S 942.339 NA PeJP NA NA +PJ091987 GSSNMMMW C38H58N10O12S3 942.3398 NA PeJP NA NA +PJ091988 GCNNDHHF C38H50N14O13S 942.3403 NA PeJP NA NA +PJ091989 CCNFFFY C46H54N8O10S2 942.3405 NA PeJP NA NA +PJ091990 GSSSSSSSEE C33H54N10O22 942.3414 NA PeJP NA NA +PJ091991 GSSSSQEMM C34H58N10O17S2 942.3423 NA PeJP NA NA +PJ091992 GNDDDDHR C34H50N14O18 942.3428 NA PeJP NA NA +PJ091993 GEEEMYW C42H54N8O15S 942.343 NA PeJP NA NA +PJ091994 DEMMMMR C35H62N10O12S4 942.3432 NA PeJP NA NA +PJ091995 GCCNNNRY C35H54N14O13S2 942.3437 NA PeJP NA NA +PJ091996 PCEMMFW C43H58N8O10S3 942.3438 NA PeJP NA NA +PJ091997 GSTEEEEY C38H54N8O20 942.3455 NA PeJP NA NA +PJ091998 GSPEEMMY C39H58N8O15S2 942.3463 NA PeJP NA NA +PJ091999 GAEEEMMF C39H58N8O15S2 942.3464 NA PeJP NA NA +PJ092000 NNDEEHW C39H50N12O16 942.3468 NA PeJP NA NA +PJ092001 SSCCCERR C32H58N14O13S3 942.347 NA PeJP NA NA +PJ092002 VDMMMMW C40H62N8O10S4 942.3472 NA PeJP NA NA +PJ092003 CCNDFRW C40H54N12O11S2 942.3477 NA PeJP NA NA +PJ092004 ATTEEMMM C36H62N8O15S3 942.3497 NA PeJP NA NA +PJ092005 GSCNDERY C36H54N12O16S 942.3502 NA PeJP NA NA +PJ092006 APTMMMMM C37H66N8O10S5 942.3506 NA PeJP NA NA +PJ092007 GSTCCMRW C37H58N12O11S3 942.3511 NA PeJP NA NA +PJ092008 GSCEHHHH C37H50N16O12S 942.3515 NA PeJP NA NA +PJ092009 GCNMFWW C45H54N10O9S2 942.3517 NA PeJP NA NA +PJ092010 SSSSSSSSNN C32H54N12O21 942.3527 NA PeJP NA NA +HMDB00869 Uroporphyrin II C48H54N4O16 942.35345 http://www.hmdb.ca/metabolites/HMDB00869 HMDB NA NA +HMDB00869 Uroporphyrin II C48H54N4O16 942.35345 HMDB00869 PFEM_hmdb_metabocards_official NA NA +HMDB00869 Uroporphyrin II C48H54N4O16 942.353455 NA HMDB2010 NA NA +PJ092011 ASSSTCCER C33H58N12O16S2 942.3535 NA PeJP NA NA +PJ092012 GSSSSCEMR C33H58N12O16S2 942.3536 NA PeJP NA NA +PJ092013 SSSSTCWW C41H54N10O14S 942.3542 NA PeJP NA NA +PJ092014 GSCQMMMR C34H62N12O11S4 942.3544 NA PeJP NA NA +PJ092015 SSCCNHHR C34H54N16O12S2 942.3549 NA PeJP NA NA +PJ092016 SCCKMWW C42H58N10O9S3 942.3551 NA PeJP NA NA +PJ092017 SSSSSSSEW C37H54N10O19 942.3567 NA PeJP NA NA +PJ092018 SSSSQMMW C38H58N10O14S2 942.3576 NA PeJP NA NA +PJ092019 GSNNNDHW C38H50N14O15 942.358 NA PeJP NA NA +PJ092020 GGGSNNDHW C38H50N14O15 942.3581 NA PeJP NA NA +PJ092021 EEMYWW C46H54N8O12S 942.3582 NA PeJP NA NA +PJ092022 CNKMMMW C39H62N10O9S4 942.3584 NA PeJP NA NA +PJ092023 GGCKMMMW C39H62N10O9S4 942.3585 NA PeJP NA NA +PJ092024 SSSSSTQEM C34H58N10O19S 942.3601 NA PeJP NA NA +PJ092025 STEEEYW C42H54N8O17 942.3607 NA PeJP NA NA +PJ092026 SSNDKMMM C35H62N10O14S3 942.3609 NA PeJP NA NA +PJ092027 GGSSDKMMM C35H62N10O14S3 942.361 NA PeJP NA NA +PJ092028 SPCNDDHR C35H54N14O15S 942.3614 NA PeJP NA NA +PJ092029 GGGGGGGGAEMH C35H54N14O15S 942.3615 NA PeJP NA NA +PJ092030 SPEMMYW C43H58N8O12S2 942.3616 NA PeJP NA NA +PJ092031 PCCCKKMM C36H66N10O9S5 942.3618 NA PeJP NA NA +PJ092032 GNDEHWW C43H50N12O13 942.3621 NA PeJP NA NA +PJ092033 CEMMHHR C36H58N14O10S3 942.3623 NA PeJP NA NA +PJ092034 DKEEEMY C39H58N8O17S 942.3641 NA PeJP NA NA +PJ092035 AAPEMMMY C40H62N8O12S3 942.365 NA PeJP NA NA +PJ092036 SCNDRYW C40H54N12O13S 942.3654 NA PeJP NA NA +PJ092037 GGGSPDMHW C40H54N12O13S 942.3655 NA PeJP NA NA +PJ092038 GSCCMMRR C33H62N14O10S4 942.3657 NA PeJP NA NA +PJ092039 AMMMHHW C41H58N12O8S3 942.3663 NA PeJP NA NA +PJ092040 SCHHHHW C41H50N16O9S 942.3668 NA PeJP NA NA +PJ092041 TTTTEEMM C36H62N8O17S2 942.3675 NA PeJP NA NA +PJ092042 SSSNDDRY C36H54N12O18 942.3679 NA PeJP NA NA +PJ092043 GGGGGGGSSSTY C36H54N12O18 942.368 NA PeJP NA NA +PJ092044 GTLEMMMM C37H66N8O12S4 942.3683 NA PeJP NA NA +PJ092045 SSSSCMRW C37H58N12O13S2 942.3688 NA PeJP NA NA +PJ092046 SSSDHHHH C37H50N16O14 942.3693 NA PeJP NA NA +PJ092047 GSNMYWW C45H54N10O11S 942.3695 NA PeJP NA NA +PJ092048 NMMHHHH C38H54N16O9S2 942.3702 NA PeJP NA NA +PJ092049 SSSSSSDMR C33H58N12O18S 942.3713 NA PeJP NA NA +PJ092050 GSSSQEYW C41H54N10O16 942.372 NA PeJP NA NA +PJ092051 SSSNMMMR C34H62N12O13S3 942.3722 NA PeJP NA NA +PJ092052 GCNNNEHR C34H54N16O14S 942.3727 NA PeJP NA NA +PJ092053 GQQMMYW C42H58N10O11S2 942.3728 NA PeJP NA NA +PJ092054 GGGGAPCMFF C42H58N10O11S2 942.3729 NA PeJP NA NA +MJ098281 Jaspogeranoside A C44H62O22 942.373273 NA MeJP NA NA +MJ098282 Jaspolinaloside B C44H62O22 942.373273 NA MeJP NA NA +PJ092055 PDDHHHW C42H50N14O12 942.3733 NA PeJP NA NA +PJ092056 GCCCKHHR C35H58N16O9S3 942.3735 NA PeJP NA NA +PJ092057 GSSSSTTMW C38H58N10O16S 942.3753 NA PeJP NA NA +PJ092058 GGGSPPPDEM C38H58N10O16S 942.3754 NA PeJP NA NA +PJ092059 GPEEYYW C46H54N8O14 942.376 NA PeJP NA NA +PJ092060 GSTCKMMW C39H62N10O11S3 942.3762 NA PeJP NA NA +PJ092061 NNNQMHW C39H54N14O12S 942.3767 NA PeJP NA NA +PJ092062 PPCMFYW C47H58N8O9S2 942.3769 NA PeJP NA NA +PJ092063 NDHWWW C47H50N12O10 942.3773 NA PeJP NA NA +PJ092064 GSSSSSTTTE C34H58N10O21 942.3778 NA PeJP NA NA +PJ092065 GSSSSKEMM C35H62N10O16S2 942.3787 NA PeJP NA NA +PJ092066 GSNDEEHR C35H54N14O17 942.3792 NA PeJP NA NA +PJ092067 SVEEMYW C43H58N8O14S 942.3794 NA PeJP NA NA +PJ092068 GSQKMMMM C36H66N10O11S4 942.3796 NA PeJP NA NA +PJ092069 CCNERRY C36H58N14O12S2 942.38 NA PeJP NA NA +PJ092070 GGCCERRY C36H58N14O12S2 942.3801 NA PeJP NA NA +PJ092071 PCLMMYW C44H62N8O9S3 942.3802 NA PeJP NA NA +PJ092072 GNNNNHHH C36H50N18O13 942.3805 NA PeJP NA NA +PJ092073 GGGGGGGGGHHH C36H50N18O13 942.3806 NA PeJP NA NA +PJ092074 SPCQHWW C44H54N12O10S 942.3807 NA PeJP NA NA +PJ092075 SSSLEEEY C39H58N8O19 942.3818 NA PeJP NA NA +PJ092076 ATTTEEEY C39H58N8O19 942.3819 NA PeJP NA NA +PJ092077 LQEEMMY C40H62N8O14S2 942.3827 NA PeJP NA NA +PJ092078 SQQEEHW C40H54N12O15 942.3832 NA PeJP NA NA +PJ092079 SSTCCMRR C33H62N14O12S3 942.3834 NA PeJP NA NA +PJ092080 TLMMMMW C41H66N8O9S4 942.3836 NA PeJP NA NA +PJ092081 GCQMRYW C41H58N12O10S2 942.3841 NA PeJP NA NA +PJ092082 NDHHHHF C41H50N16O11 942.3845 NA PeJP NA NA +PJ092083 GGDHHHHF C41H50N16O11 942.3846 NA PeJP NA NA +PJ092084 GCHFFFW C49H54N10O8S 942.3847 NA PeJP NA NA +PJ092085 STTLEMMM C37H66N8O14S3 942.3861 NA PeJP NA NA +PJ092086 GSSNEMRY C37H58N12O15S 942.3866 NA PeJP NA NA +PJ092087 GVLMMMMM C38H70N8O9S5 942.387 NA PeJP NA NA +PJ092088 SSSQYWW C45H54N10O13 942.3872 NA PeJP NA NA +PJ092089 APCCCKRY C38H62N12O10S3 942.3874 NA PeJP NA NA +PJ092090 GGGGMMMFR C38H62N12O10S3 942.3875 NA PeJP NA NA +PJ092091 CNNNHRW C38H54N16O11S 942.3879 NA PeJP NA NA +PJ092092 ACCKFWW C46H58N10O8S2 942.3881 NA PeJP NA NA +PJ092093 GSSSSTMMR C34H62N12O15S2 942.3899 NA PeJP NA NA +PJ092094 SSNNNDHR C34H54N16O16 942.3904 NA PeJP NA NA +PJ092095 SNDKMYW C42H58N10O13S 942.3906 NA PeJP NA NA +PJ092096 GSCKMMMR C35H66N12O10S4 942.3908 NA PeJP NA NA +PJ092097 PEYYWW C50H54N8O11 942.3912 NA PeJP NA NA +PJ092098 GPCCDHRR C35H58N16O11S2 942.3913 NA PeJP NA NA +PJ092099 CKMMHFF C43H62N10O8S3 942.3915 NA PeJP NA NA +PJ092100 SSSSSTTTW C38H58N10O18 942.3931 NA PeJP NA NA +PJ092101 SSSSKMMW C39H62N10O13S2 942.3939 NA PeJP NA NA +PJ092102 VDEMMRY C39H62N10O13S2 942.394 NA PeJP NA NA +PJ092103 SNDEHRW C39H54N14O14 942.3944 NA PeJP NA NA +PJ092104 GGGGGGGTTHW C39H54N14O14 942.3945 NA PeJP NA NA +PJ092105 SPPMYYW C47H58N8O11S 942.3946 NA PeJP NA NA +PJ092106 PMMMMFR C40H66N10O8S4 942.3948 NA PeJP NA NA +PJ092107 GCCRRYW C40H58N14O9S2 942.3953 NA PeJP NA NA +PJ092108 MHHFWW C48H54N12O7S 942.396 NA PeJP NA NA +PJ092109 SSSSSTKEM C35H62N10O18S 942.3964 NA PeJP NA NA +PJ092110 GSSSSSSTLM C35H62N10O18S 942.3965 NA PeJP NA NA +PJ092111 PDKEEYY C43H58N8O16 942.3971 NA PeJP NA NA +PJ092112 SSTQKMMM C36H66N10O13S3 942.3973 NA PeJP NA NA +PJ092113 GSSCDRRY C36H58N14O14S 942.3978 NA PeJP NA NA +PJ092114 ALEMMYW C44H62N8O11S2 942.398 NA PeJP NA NA +PJ092115 LMMMMMR C37H70N10O8S5 942.3982 NA PeJP NA NA +PJ092116 GTQEHWW C44H54N12O12 942.3985 NA PeJP NA NA +PJ092117 CCQMFRR C37H62N14O9S3 942.3987 NA PeJP NA NA +PJ092118 GTTLEEMY C40H62N8O16S 942.4005 NA PeJP NA NA +PJ092119 GPTLMMMY C41H66N8O11S3 942.4014 NA PeJP NA NA +PJ092120 SSNMRYW C41H58N12O12S 942.4018 NA PeJP NA NA +PJ092121 GGGGGGAPPMW C41H58N12O12S 942.4019 NA PeJP NA NA +PJ092122 GPPDWWW C49H54N10O10 942.4025 NA PeJP NA NA +PJ092123 SSSSQERY C37H58N12O17 942.4043 NA PeJP NA NA +PJ092124 GGGGGGPVQEE C37H58N12O17 942.4044 NA PeJP NA NA +PJ092125 SSLLMMMM C38H70N8O11S4 942.4047 NA PeJP NA NA +PJ092126 SQQMMRY C38H62N12O12S2 942.4052 NA PeJP NA NA +PJ092127 SSTTHHHH C38H54N16O13 942.4057 NA PeJP NA NA +PJ092128 GTCKYWW C46H58N10O10S 942.4058 NA PeJP NA NA +PJ092129 GPPPTCWW C46H58N10O10S 942.4059 NA PeJP NA NA +PJ092130 SSSSSTTMR C34H62N12O17S 942.4077 NA PeJP NA NA +PJ092131 GSSSKEYW C42H58N10O15 942.4083 NA PeJP NA NA +PJ092132 TLEEEHW C42H58N10O15 942.4084 NA PeJP NA NA +PJ092133 SSTCKMMR C35H66N12O12S3 942.4086 NA PeJP NA NA +PJ092134 NDDMHRR C35H58N16O13S 942.409 NA PeJP NA NA +PJ092135 GGDDMHRR C35H58N16O13S 942.4091 NA PeJP NA NA +PJ092136 GQKMMYW C43H62N10O10S2 942.4092 NA PeJP NA NA +PJ092137 GSDHRWW C43H54N14O11 942.4097 NA PeJP NA NA +PJ092138 PPCFFFW C51H58N8O8S 942.4099 NA PeJP NA NA +PJ092139 GSTQKEMY C39H62N10O15S 942.4117 NA PeJP NA NA +PJ092140 SPVEYYW C47H58N8O13 942.4124 NA PeJP NA NA +PJ092141 APCCKKMY C40H66N10O10S3 942.4126 NA PeJP NA NA +PJ092142 NNNKMHW C40H58N14O11S 942.413 NA PeJP NA NA +PJ092143 GQEMHRW C40H58N14O11S 942.4131 NA PeJP NA NA +PJ092144 PCLMFFW C48H62N8O8S2 942.4132 NA PeJP NA NA +PJ092145 TQHWWW C48H54N12O9 942.4137 NA PeJP NA NA +PJ092146 SSSSSSSTTL C35H62N10O20 942.4142 NA PeJP NA NA +PJ092147 GSSTTTKMM C36H66N10O15S2 942.4151 NA PeJP NA NA +PJ092148 SSSSSSKHH C36H58N14O16 942.4155 NA PeJP NA NA +PJ092149 GSTQEEHR C36H58N14O16 942.4156 NA PeJP NA NA +PJ092150 TTLEMYW C44H62N8O13S 942.4157 NA PeJP NA NA +PJ092151 GALEEMFF C44H62N8O13S 942.4158 NA PeJP NA NA +PJ092152 GSKKMMMM C37H70N10O10S4 942.416 NA PeJP NA NA +PJ092153 SCQMRRY C37H62N14O11S2 942.4164 NA PeJP NA NA +PJ092154 GGGGPCCKKH C37H62N14O11S2 942.4165 NA PeJP NA NA +PJ092155 VVMMMFW C45H66N8O8S3 942.4166 NA PeJP NA NA +PJ092156 NNEHHHR C37H54N18O12 942.4169 NA PeJP NA NA +PJ092157 GVQMHWW C45H58N12O9S 942.4171 NA PeJP NA NA +PJ092158 STTTLEEY C40H62N8O18 942.4182 NA PeJP NA NA +PJ092159 PPTLEEEE C40H62N8O18 942.4183 NA PeJP NA NA +PJ092160 LKEEMMY C41H66N8O13S2 942.4191 NA PeJP NA NA +PJ092161 GSSSTRYW C41H58N12O14 942.4196 NA PeJP NA NA +PJ092162 GSCNNHRR C34H58N18O12S 942.4203 NA PeJP NA NA +PJ092163 GCKMRYW C42H62N12O9S2 942.4205 NA PeJP NA NA +PJ092164 AQQHHHW C42H54N16O10 942.4209 NA PeJP NA NA +PJ092165 GSTTQMRY C38H62N12O14S 942.4229 NA PeJP NA NA +PJ092166 GSSDKMRY C38H62N12O14S 942.423 NA PeJP NA NA +PJ092167 SSSKYWW C46H58N10O12 942.4236 NA PeJP NA NA +PJ092168 CQKMMFR C39H66N12O9S3 942.4238 NA PeJP NA NA +PJ092169 GCEHRRW C39H58N16O10S 942.4243 NA PeJP NA NA +PJ092170 GSSDEHRR C35H58N16O15 942.4268 NA PeJP NA NA +PJ092171 STQKMYW C43H62N10O12S 942.427 NA PeJP NA NA +PJ092172 CCCCKKKK C36H70N12O9S4 942.4272 NA PeJP NA NA +MJ098283 Silenin C C51H58N8O10 942.42759 NA MeJP NA NA +PJ092173 LEFYWW C51H58N8O10 942.4276 NA PeJP NA NA +PJ092174 SCCRRRY C36H62N16O10S2 942.4277 NA PeJP NA NA +PJ092175 QMHRWW C44H58N14O8S 942.4283 NA PeJP NA NA +PJ092176 SSSDKKEY C39H62N10O17 942.4295 NA PeJP NA NA +PJ092177 TLEMMRY C40H66N10O12S2 942.4303 NA PeJP NA NA +PJ092178 GGKKEMMY C40H66N10O12S2 942.4304 NA PeJP NA NA +PJ092179 STQEHRW C40H58N14O13 942.4308 NA PeJP NA NA +PJ092180 GGGGGGGGGPKW C40H58N14O13 942.4309 NA PeJP NA NA +PJ092181 APLMYYW C48H62N8O10S 942.431 NA PeJP NA NA +PJ092182 CLMHHFR C41H62N14O8S2 942.4317 NA PeJP NA NA +PJ092183 GNHHHRW C41H54N18O9 942.4322 NA PeJP NA NA +PJ092184 SSSTTTTKM C36H66N10O17S 942.4328 NA PeJP NA NA +PJ092185 VLQEEYY C44H62N8O15 942.4335 NA PeJP NA NA +PJ092186 SSTKKMMM C37H70N10O12S3 942.4337 NA PeJP NA NA +PJ092187 GSSSMRRY C37H62N14O13S 942.4342 NA PeJP NA NA +PJ092188 SLLMMYW C45H66N8O10S2 942.4344 NA PeJP NA NA +PJ092189 SPPDRWW C45H58N12O11 942.4348 NA PeJP NA NA +PJ092190 GGGGPVQWW C45H58N12O11 942.4349 NA PeJP NA NA +PJ092191 CCKMFRR C38H66N14O8S3 942.4351 NA PeJP NA NA +PJ092192 SSTLLEMY C41H66N8O15S 942.4369 NA PeJP NA NA +PJ092193 AALLMMMY C42H70N8O10S3 942.4377 NA PeJP NA NA +PJ092194 STCKRYW C42H62N12O11S 942.4382 NA PeJP NA NA +PJ092195 APPTWWW C50H58N10O9 942.4389 NA PeJP NA NA +PJ092196 CHRRWW C43H58N16O7S 942.4396 NA PeJP NA NA +MJ098284 Keramamide A C49H63ClN8O9 942.440653 NA MeJP NA NA +PJ092197 SSSSKERY C38H62N12O16 942.4407 NA PeJP NA NA +PJ092198 SQKMMRY C39H66N12O11S2 942.4416 NA PeJP NA NA +PJ092199 SSDHRRW C39H58N16O12 942.442 NA PeJP NA NA +PJ092200 GGNQQHFR C39H58N16O12 942.4421 NA PeJP NA NA +PJ092201 PPVQMWW C47H62N10O9S 942.4422 NA PeJP NA NA +PJ092202 GSTTTKYW C43H62N10O14 942.4447 NA PeJP NA NA +PJ092203 GGGPLLDEW C43H62N10O14 942.4448 NA PeJP NA NA +PJ092204 SQEMHRR C36H62N16O12S 942.4454 NA PeJP NA NA +PJ092205 GKKMMYW C44H66N10O9S2 942.4456 NA PeJP NA NA +MJ098285 3,16-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?3)]-?-D-glucuronopyranoside] C46H70O20 942.446044 NA MeJP NA NA +PJ092206 GTTHRWW C44H58N14O10 942.4461 NA PeJP NA NA +PJ092207 GSTKKEMY C40H66N10O14S 942.4481 NA PeJP NA NA +PJ092208 AVLEYYW C48H62N8O12 942.4487 NA PeJP NA NA +PJ092209 GLLEYYW C48H62N8O12 942.4488 NA PeJP NA NA +PJ092210 VLMMMRY C41H70N10O9S3 942.449 NA PeJP NA NA +PJ092211 ADKMHRW C41H62N14O10S 942.4494 NA PeJP NA NA +PJ092212 PPCERRW C41H62N14O10S 942.4495 NA PeJP NA NA +PJ092213 TKHWWW C49H58N12O8 942.4501 NA PeJP NA NA +PJ092214 SSSSTRRY C37H62N14O15 942.4519 NA PeJP NA NA +PJ092215 PQEEERR C37H62N14O15 942.452 NA PeJP NA NA +PJ092216 PLKEMYY C45H66N8O12S 942.4521 NA PeJP NA NA +PJ092217 SCKMRRY C38H66N14O10S2 942.4528 NA PeJP NA NA +PJ092218 NDKHHHR C38H58N18O11 942.4533 NA PeJP NA NA +PJ092219 APPMRWW C46H62N12O8S 942.4535 NA PeJP NA NA +PJ092220 PVVLEEEE C41H66N8O17 942.4546 NA PeJP NA NA +PJ092221 ATTLLMMY C42H70N8O12S2 942.4555 NA PeJP NA NA +PJ092222 PVQEERW C42H62N12O13 942.456 NA PeJP NA NA +PJ092223 SCEHRRR C35H62N18O11S 942.4567 NA PeJP NA NA +PJ092224 LKMMHHF C43H66N12O8S2 942.4568 NA PeJP NA NA +PJ092225 PPNHHRW C43H58N16O9 942.4573 NA PeJP NA NA +PJ092226 GSTTKMRY C39H66N12O13S 942.4593 NA PeJP NA NA +PJ092227 GPPKEEMR C39H66N12O13S 942.4594 NA PeJP NA NA +PJ092228 PPTKEWW C47H62N10O11 942.46 NA PeJP NA NA +PJ092229 CKKMMFR C40H70N12O8S3 942.4602 NA PeJP NA NA +PJ092230 GTMHRRW C40H62N16O9S 942.4607 NA PeJP NA NA +PJ092231 PDDERRR C36H62N16O14 942.4632 NA PeJP NA NA +PJ092232 STKKMYW C44H66N10O11S 942.4633 NA PeJP NA NA +PJ092233 GPPVKEMW C44H66N10O11S 942.4634 NA PeJP NA NA +PJ092234 LLYYWW C52H62N8O9 942.464 NA PeJP NA NA +PJ092235 GGVMMHRR C37H66N16O9S2 942.4641 NA PeJP NA NA +PJ092236 SNHHHRR C37H58N20O10 942.4645 NA PeJP NA NA +PJ092237 KMHRWW C45H62N14O7S 942.4647 NA PeJP NA NA +PJ092238 TTTTTQKY C40H66N10O16 942.4658 NA PeJP NA NA +PJ092239 SSTTKKEY C40H66N10O16 942.4659 NA PeJP NA NA +PJ092240 DKKKMMY C41H70N10O11S2 942.4667 NA PeJP NA NA +PJ092241 GGGAPPLLMM C41H70N10O11S2 942.4668 NA PeJP NA NA +PJ092242 APEERRW C41H62N14O12 942.4672 NA PeJP NA NA +PJ092243 ALLMFYW C49H66N8O9S 942.4674 NA PeJP NA NA +PJ092244 VLKEEYY C45H66N8O14 942.4699 NA PeJP NA NA +PJ092245 GPPTEMRR C38H66N14O12S 942.4706 NA PeJP NA NA +PJ092246 AALLMMFF C46H70N8O9S2 942.4708 NA PeJP NA NA +PJ092247 GPLERWW C46H62N12O10 942.4712 NA PeJP NA NA +PJ092248 TTTTLLMY C42H70N8O14S 942.4732 NA PeJP NA NA +PJ092249 NNQQQRR C35H62N18O13 942.4744 NA PeJP NA NA +PJ092250 GGGGGGGGGVRR C35H62N18O13 942.4745 NA PeJP NA NA +PJ092251 PPKEMRW C43H66N12O10S 942.4746 NA PeJP NA NA +PJ092252 APVVWWW C51H62N10O8 942.4752 NA PeJP NA NA +PJ092253 GPVLWWW C51H62N10O8 942.4753 NA PeJP NA NA +PJ092254 SSTTTKRY C39H66N12O15 942.4771 NA PeJP NA NA +PJ092255 SKKMMRY C40H70N12O10S2 942.478 NA PeJP NA NA +PJ092256 STTHRRW C40H62N16O11 942.4784 NA PeJP NA NA +PJ092257 GGGGPTRRW C40H62N16O11 942.4785 NA PeJP NA NA +PJ092258 PPVKMWW C48H66N10O8S 942.4786 NA PeJP NA NA +PJ092259 AAPLKEEW C44H66N10O13 942.4811 NA PeJP NA NA +PJ092260 SKEMHRR C37H66N16O11S 942.4818 NA PeJP NA NA +PJ092261 LLLMMHW C45H70N10O8S2 942.482 NA PeJP NA NA +MJ098286 12-Ursene-3,21,28-triol, 28-Carboxylic acid, 3-O-[?-L-arabinopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C47H74O19 942.48243 NA MeJP NA NA +MJ098287 2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl] ester C47H74O19 942.48243 NA MeJP NA NA +MJ098288 28-Nor-12-oleanene-2,3,16,17,23-pentol, 16-Ketone, 3-O-[?-L-arabinopyranosyl-(1?6)-2-O-acetyl-?-D-glucopyranosyl-(1?2)-?-L-arabinopyranoside] C47H74O19 942.48243 NA MeJP NA NA +MJ098289 3,12,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] C47H74O19 942.48243 NA MeJP NA NA +MJ098290 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C47H74O19 942.48243 NA MeJP NA NA +MJ098291 3,16,29-Trihydroxycycloart-24-en-26,22-olide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?2)-?-L-arabinopyranoside] C47H74O19 942.48243 NA MeJP NA NA +MJ098292 3,20,23-Trihydroxy-30-nor-12-oleanen-28-oic acid, 23-Aldehyde, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C47H74O19 942.48243 NA MeJP NA NA +MJ098293 3,21-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C47H74O19 942.48243 NA MeJP NA NA +MJ098294 3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-xylopyranoside] C47H74O19 942.48243 NA MeJP NA NA +MJ098295 3,23-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C47H74O19 942.48243 NA MeJP NA NA +MJ098296 Furosta-5,25(27)-diene-1,3,22,26-tetrol, 22-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?2)-4-O-acetyl-?-L-arabinopyranoside], 26-O-?-D-glucopyranoside C47H74O19 942.48243 NA MeJP NA NA +MJ098297 Spirost-5-ene-1,3-diol, 1-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-galactopyranoside] C47H74O19 942.48243 NA MeJP NA NA +PJ092262 GPNKRWW C45H62N14O9 942.4825 NA PeJP NA NA +PJ092263 SSSLKKMY C41H70N10O13S 942.4845 NA PeJP NA NA +PJ092264 SVLLYYW C49H66N8O11 942.4851 NA PeJP NA NA +PJ092265 GALLEFFF C49H66N8O11 942.4852 NA PeJP NA NA +PJ092266 KKKMMMF C42H74N10O8S3 942.4854 NA PeJP NA NA +PJ092267 NNNNRRR C34H62N20O12 942.4856 NA PeJP NA NA +PJ092268 GGNNNRRR C34H62N20O12 942.4857 NA PeJP NA NA +PJ092269 PPTMRRW C42H66N14O9S 942.4858 NA PeJP NA NA +PJ092270 PLRWWW C50H62N12O7 942.4865 NA PeJP NA NA +PJ092271 PKEEERR C38H66N14O14 942.4883 NA PeJP NA NA +PJ092272 GGGPDKKER C38H66N14O14 942.4884 NA PeJP NA NA +PJ092273 LLLQMYY C46H70N8O11S 942.4885 NA PeJP NA NA +PJ092274 GPPVMMRR C39H70N14O9S2 942.4892 NA PeJP NA NA +PJ092275 GDHFRRR C39H62N18O10 942.4897 NA PeJP NA NA +PJ092276 PTLLLEEE C42H70N8O16 942.491 NA PeJP NA NA +PJ092277 PPLLLEMM C43H74N8O11S2 942.4919 NA PeJP NA NA +PJ092278 PQQKKEW C43H66N12O12 942.4923 NA PeJP NA NA +PJ092279 PVKEERW C43H66N12O12 942.4924 NA PeJP NA NA +PJ092280 STMHRRR C36H66N18O10S 942.493 NA PeJP NA NA +PJ092281 GGPNMRRR C36H66N18O10S 942.4931 NA PeJP NA NA +PJ092282 AAHFRRW C44H62N16O8 942.4937 NA PeJP NA NA +PJ092283 SPPVKEMR C40H70N12O12S 942.4957 NA PeJP NA NA +PJ092284 GGGGGGPLLKM C40H70N12O12S 942.4958 NA PeJP NA NA +PJ092285 PVVKEWW C48H66N10O10 942.4964 NA PeJP NA NA +PJ092286 PCKHFRR C41H66N16O8S 942.4971 NA PeJP NA NA +PJ092287 PTEERRR C37H66N16O13 942.4996 NA PeJP NA NA +PJ092288 VVLMRYY C45H70N10O10S 942.4997 NA PeJP NA NA +PJ092289 APPTLKMW C45H70N10O10S 942.4998 NA PeJP NA NA +PJ092290 ALLFFFW C53H66N8O8 942.5004 NA PeJP NA NA +PJ092291 TTTTTKKY C41H70N10O15 942.5022 NA PeJP NA NA +PJ092292 APLKKEEE C41H70N10O15 942.5023 NA PeJP NA NA +PJ092293 SVLLLMMH C42H74N10O10S2 942.5031 NA PeJP NA NA +PJ092294 SPLERRW C42H66N14O11 942.5036 NA PeJP NA NA +PJ092295 GTTLLLYY C46H70N8O13 942.5063 NA PeJP NA NA +PJ092296 AAPLEMRR C39H70N14O11S 942.507 NA PeJP NA NA +PJ092297 SPVLRWW C47H66N12O9 942.5076 NA PeJP NA NA +PJ092298 PVLLLEEM C43H74N8O13S 942.5097 NA PeJP NA NA +PJ092299 AQQERRR C36H66N18O12 942.5108 NA PeJP NA NA +PJ092300 PLLQMRW C44H70N12O9S 942.511 NA PeJP NA NA +PJ092301 APTLKEER C40H70N12O14 942.5135 NA PeJP NA NA +PJ092302 APPLKMMR C41H74N12O9S2 942.5144 NA PeJP NA NA +PJ092303 SPNKRRW C41H66N16O10 942.5148 NA PeJP NA NA +PJ092304 GPTLLKEW C45H70N10O12 942.5175 NA PeJP NA NA +PJ092305 PVEMRRR C38H70N16O10S 942.5182 NA PeJP NA NA +C08791 Carnosifloside III C48H78O18 942.5188 NA KEGG NA NA +C08923 Arvensoside A C48H78O18 942.5188 NA KEGG NA NA +C08958 Lemmatoxin C48H78O18 942.5188 NA KEGG NA NA +C08963 Oleanoglycotoxin-A C48H78O18 942.5188 NA KEGG NA NA +C08983 Soyasaponin I C48H78O18 942.5188 NA KEGG NA NA +PJ092306 AVKHFRW C46H66N14O8 942.5188 NA PeJP NA NA +MJ098298 11,13(18)-Oleanadiene-3,16,23,28-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098299 12-Oleanene-2,3,28-triol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098300 12-Oleanene-3,21,22-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098301 12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098302 12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098303 12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-glucuronopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098304 12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-galactopyranosyl-(1?4)-?-D-glucuronopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098305 12-Oleanene-3,22,30-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098306 12-Ursene-3,21,28-triol, 28-Carboxylic acid, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 21-O-?-D-glucopyranoside C48H78O18 942.518815 NA MeJP NA NA +MJ098307 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098308 13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[?-D-Glucopyranosyl-(1?6)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098309 13,28-Epoxy-3,16,22-oleananetriol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-L-arabinopyranoside], 22-Ac C48H78O18 942.518815 NA MeJP NA NA +MJ098310 16,18;16,22-Diepoxydammar-24-ene-3,20-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-galactopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098311 16,18;16,22-Diepoxydammar-24-ene-3,20-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098312 2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?3)]-?-D-glucopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098313 20(29)-Lupene-3,23,28-triol, 28-Carboxylic acid, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O18 942.518815 NA MeJP NA NA +MJ098314 20(29)-Lupene-3,23,28-triol; 3?-form, 28-Carboxylic acid, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O18 942.518815 NA MeJP NA NA +MJ098315 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-3-O-acetyl-?-D-xylopyranoside], 6-O-?-D-xylopyranoside C48H78O18 942.518815 NA MeJP NA NA +MJ098316 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-4-O-acetyl-?-D-xylopyranoside], 6-O-?-D-xylopyranoside C48H78O18 942.518815 NA MeJP NA NA +MJ098317 3,11-Dihydroxy-20(29)-lupen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O18 942.518815 NA MeJP NA NA +MJ098318 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098319 3,22,30-Trihydroxycycloart-24-en-21-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098320 3,23-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O18 942.518815 NA MeJP NA NA +MJ098321 3,29-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranosyl] ester C48H78O18 942.518815 NA MeJP NA NA +MJ098322 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 3-O-[?-L-Cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-digitoxopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098323 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Thevetopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-digitoxopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098324 3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O18 942.518815 NA MeJP NA NA +MJ098325 Cucurbita-5,24-diene-3,11,26-triol, 11-Ketone, 3-O-?-D-glucopyranoside, 26-O-[?-D-glucopyranosyl-(1?2)-glucopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098326 Cucurbita-5,24-diene-3,11,26-triol, 11-Ketone, 3-O-?-D-glucopyranoside, 26-O-[?-D-glucopyranosyl-(1?6)-glucopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098327 Cucurbita-5,24-diene-3,11,26-triol, 11-Ketone, 3-O-?-D-glucopyranoside, 26-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098328 Hederagenin 28-glycosyl esters; 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O18 942.518815 NA MeJP NA NA +MJ098329 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098330 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098331 Jujubogenin; 3-O-[?-D-Glucopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098332 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C48H78O18 942.518815 NA MeJP NA NA +MJ098333 Oleanolic acid bisdesmosides; Triglycosides, 3-O-?-D-Glucopyranoside, 28-O-[?-D-galactopyranosyl-(1?4)-?-D-glucopyranosyl] ester C48H78O18 942.518815 NA MeJP NA NA +MJ098334 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C48H78O18 942.518815 NA MeJP NA NA +MJ098335 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside], 28-O-?-D-glucopyranosyl ester C48H78O18 942.518815 NA MeJP NA NA +MJ098336 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C48H78O18 942.518815 NA MeJP NA NA +MJ098337 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C48H78O18 942.518815 NA MeJP NA NA +PJ092307 GLKHFRW C46H66N14O8 942.5189 NA PeJP NA NA +PJ092308 PPTLKKEM C42H74N10O12S 942.5209 NA PeJP NA NA +PJ092309 PLLKFYY C50H70N8O10 942.5215 NA PeJP NA NA +PJ092310 GNERRRR C35H66N20O11 942.522 NA PeJP NA NA +PJ092311 GGGERRRR C35H66N20O11 942.5221 NA PeJP NA NA +PJ092312 PVVMRRW C43H70N14O8S 942.5222 NA PeJP NA NA +HMDB09928 PIP(16:0/20:2(11Z,14Z)) C45H84O16P2 942.523438 NA HMDB2010 NA NA +HMDB09951 PIP(18:0/18:2(9Z,12Z)) C45H84O16P2 942.523438 NA HMDB2010 NA NA +HMDB09961 PIP(18:1(11Z)/18:1(11Z)) C45H84O16P2 942.523438 NA HMDB2010 NA NA +HMDB09962 PIP(18:1(11Z)/18:1(9Z)) C45H84O16P2 942.523438 NA HMDB2010 NA NA +HMDB09973 PIP(18:1(9Z)/18:1(11Z)) C45H84O16P2 942.523438 NA HMDB2010 NA NA +HMDB09974 PIP(18:1(9Z)/18:1(9Z)) C45H84O16P2 942.523438 NA HMDB2010 NA NA +HMDB09984 PIP(18:2(9Z,12Z)/18:0) C45H84O16P2 942.523438 NA HMDB2010 NA NA +HMDB10003 PIP(20:2(11Z,14Z)/16:0) C45H84O16P2 942.523438 NA HMDB2010 NA NA +MJ098338 Cephalostatin 2; 14'?,15'?-Epoxide C54H74N2O12 942.524175 NA MeJP NA NA +PJ092313 LLQEERR C39H70N14O13 942.5247 NA PeJP NA NA +PJ092314 GGGGGGGGVLKK C39H70N14O13 942.5248 NA PeJP NA NA +PJ092315 LLLKMYY C47H74N8O10S 942.5249 NA PeJP NA NA +PJ092316 LKKMMHR C40H74N14O8S2 942.5256 NA PeJP NA NA +PJ092317 AAQRRRW C40H66N18O9 942.5261 NA PeJP NA NA +PJ092318 VVLLLEEE C43H74N8O15 942.5274 NA PeJP NA NA +PJ092319 VLLQERW C44H70N12O11 942.5287 NA PeJP NA NA +PJ092320 GGLLLERW C44H70N12O11 942.5288 NA PeJP NA NA +PJ092321 PCQKRRR C37H70N18O9S 942.5294 NA PeJP NA NA +PJ092322 GPLLKEMR C41H74N12O11S 942.5321 NA PeJP NA NA +PJ092323 PTLLKWW C49H70N10O9 942.5328 NA PeJP NA NA +PJ092324 ASPTQKRR C38H70N16O12 942.5359 NA PeJP NA NA +PJ092325 VVEERRR C38H70N16O12 942.536 NA PeJP NA NA +PJ092326 GPVLLKMW C46H74N10O9S 942.5361 NA PeJP NA NA +PJ092327 NRRRRW C39H66N20O8 942.5373 NA PeJP NA NA +PJ092328 SPLLKKEE C42H74N10O14 942.5386 NA PeJP NA NA +PJ092329 GAALLLKEE C42H74N10O14 942.5387 NA PeJP NA NA +PJ092330 PPVLKKMM C43H78N10O9S2 942.5395 NA PeJP NA NA +PJ092331 ALLERRW C43H70N14O10 942.54 NA PeJP NA NA +MJ098339 Cyanopeptolin B; 4'-N-Me C47H74N8O12 942.542619 NA MeJP NA NA +PJ092332 PPVLLLEY C47H74N8O12 942.5427 NA PeJP NA NA +PJ092333 GPTLLMRR C40H74N14O10S 942.5434 NA PeJP NA NA +PJ092334 GLLLRWW C48H70N12O8 942.544 NA PeJP NA NA +PJ092335 AQKERRR C37H70N18O11 942.5472 NA PeJP NA NA +PJ092336 PLLKMRW C45H74N12O8S 942.5474 NA PeJP NA NA +PJ092337 GVLLKEER C41H74N12O13 942.5499 NA PeJP NA NA +PJ092338 GLQKRRW C42H70N16O9 942.5512 NA PeJP NA NA +PJ092339 AALLLKEW C46H74N10O11 942.5539 NA PeJP NA NA +PJ092340 PQKKMRR C39H74N16O9S 942.5546 NA PeJP NA NA +PJ092341 PVVLKKEM C43H78N10O11S 942.5573 NA PeJP NA NA +PJ092342 LLLKFFY C51H74N8O9 942.5579 NA PeJP NA NA +PJ092343 GDKRRRR C36H70N20O10 942.5584 NA PeJP NA NA +PJ092344 LLKEERR C40H74N14O12 942.5611 NA PeJP NA NA +MJ098340 Patellin 3 C48H78N8O9S 942.561246 NA MeJP NA NA +PJ092345 PPLLLLMF C48H78N8O9S 942.5613 NA PeJP NA NA +PJ092346 AAKRRRW C41H70N18O8 942.5625 NA PeJP NA NA +PJ092347 TLLLLLEE C44H78N8O14 942.5638 NA PeJP NA NA +MJ098341 Rzedowskia bistriterpenoid C60H78O9 942.564584 NA MeJP NA NA +MJ098342 Scutionin à A C60H78O9 942.564584 NA MeJP NA NA +MJ098343 Xuxuarine E? C60H78O9 942.564584 NA MeJP NA NA +PJ092348 PLLLLLMM C45H82N8O9S2 942.5647 NA PeJP NA NA +PJ092349 VLLKERW C45H74N12O10 942.5651 NA PeJP NA NA +PJ092350 PCKKRRR C38H74N18O8S 942.5658 NA PeJP NA NA +MJ098344 Didemnin A C49H78N6O12 942.567771 NA MeJP NA NA +PJ092351 SPVLLKMR C42H78N12O10S 942.5685 NA PeJP NA NA +PJ092352 VVLLKWW C50H74N10O8 942.5691 NA PeJP NA NA +PJ092353 GSRRRRR C35H70N22O9 942.5697 NA PeJP NA NA +MJ098345 Okadaic acid; 7-Hydroxy-2,4-dimethyl-2E,4E-heptadienoyl ester C53H82O14 942.570457 NA MeJP NA NA +MJ098346 Okadaic acid; 7-Hydroxy-4-methyl-2-methylene-4-heptenoyl ester (E-) C53H82O14 942.570457 NA MeJP NA NA +PJ092354 TLLERRR C39H74N16O11 942.5723 NA PeJP NA NA +PJ092355 GGLKKERR C39H74N16O11 942.5724 NA PeJP NA NA +PJ092356 ALLLKKEE C43H78N10O13 942.575 NA PeJP NA NA +PJ092357 SLLLRRW C44H74N14O9 942.5764 NA PeJP NA NA +PJ092358 PVLLLLEF C48H78N8O11 942.5791 NA PeJP NA NA +PJ092359 AALLLMRR C41H78N14O9S 942.5797 NA PeJP NA NA +PJ092360 VLLLLLEM C45H82N8O11S 942.5824 NA PeJP NA NA +PJ092361 AKKERRR C38H74N18O10 942.5836 NA PeJP NA NA +PJ092362 STLLLLQR C42H78N12O12 942.5862 NA PeJP NA NA +PJ092363 ATLLLKER C42H78N12O12 942.5863 NA PeJP NA NA +PJ092364 GLKKRRW C43H74N16O8 942.5876 NA PeJP NA NA +PJ092365 GTLLLLKW C47H78N10O10 942.5903 NA PeJP NA NA +PJ092366 VLLMRRR C40H78N16O8S 942.591 NA PeJP NA NA +MJ098347 Antibiotic CP 82996 C50H86O16 942.591586 NA MeJP NA NA +PJ092367 PTLLLKKM C44H82N10O10S 942.5937 NA PeJP NA NA +PJ092368 ATKRRRR C37H74N20O9 942.5948 NA PeJP NA NA +PJ092369 ATTLLLRR C41H78N14O11 942.5975 NA PeJP NA NA +PJ092370 LLQKKKW C46H78N12O9 942.6015 NA PeJP NA NA +PJ092371 GLLLLKMR C43H82N12O9S 942.6049 NA PeJP NA NA +PJ092372 VKKKERR C40H78N16O10 942.6087 NA PeJP NA NA +PJ092373 SLLLLKKE C44H82N10O12 942.6114 NA PeJP NA NA +PJ092374 VVKKKRW C45H78N14O8 942.6127 NA PeJP NA NA +PJ092375 PVLLLLLY C49H82N8O10 942.6154 NA PeJP NA NA +PJ092376 SLKKRRR C39H78N18O9 942.62 NA PeJP NA NA +PJ092377 STLLLLKR C43H82N12O11 942.6226 NA PeJP NA NA +PJ092378 GLLKKKKE C43H82N12O11 942.6227 NA PeJP NA NA +PJ092379 PVVLLKKF C48H82N10O9 942.6267 NA PeJP NA NA +PJ092380 VVLLLKKM C45H86N10O9S 942.63 NA PeJP NA NA +PJ092381 GTLLKKKR C42H82N14O10 942.6339 NA PeJP NA NA +PJ092382 LLKKKKW C47H82N12O8 942.6379 NA PeJP NA NA +PJ092383 QKKKKKR C41H82N16O9 942.6451 NA PeJP NA NA +PJ092384 VLLLLLLF C50H86N8O9 942.6518 NA PeJP NA NA +PJ092385 SVLLKKKK C44H86N12O10 942.659 NA PeJP NA NA +PJ092386 GVKKKKKK C43H86N14O9 942.6703 NA PeJP NA NA +PJ092387 KKKKKKR C42H86N16O8 942.6815 NA PeJP NA NA +HMDB05407 TG(18:0/20:1(11Z)/20:1(11Z))[iso3] C61H114O6 942.86151 http://www.hmdb.ca/metabolites/HMDB05407 HMDB NA NA +HMDB05450 TG(18:1(9Z)/20:0/20:1(11Z))[iso6] C61H114O6 942.86151 http://www.hmdb.ca/metabolites/HMDB05450 HMDB NA NA +HMDB05467 TG(18:2(9Z,12Z)/20:0/20:0)[iso3] C61H114O6 942.86151 http://www.hmdb.ca/metabolites/HMDB05467 HMDB NA NA +HMDB05407 TG(18:0/20:1(11Z)/20:1(11Z))[iso3] C61H114O6 942.86151 HMDB05407 PFEM_hmdb_metabocards_official NA NA +HMDB05450 TG(18:1(9Z)/20:0/20:1(11Z))[iso6] C61H114O6 942.86151 HMDB05450 PFEM_hmdb_metabocards_official NA NA +HMDB05467 TG(18:2(9Z,12Z)/20:0/20:0)[iso3] C61H114O6 942.86151 HMDB05467 PFEM_hmdb_metabocards_official NA NA +HMDB05407 TG(18:0/20:1(11Z)/20:1(11Z))[iso3] C61H114O6 942.861511 NA HMDB2010 NA NA +HMDB05450 TG(18:1(9Z)/20:0/20:1(11Z))[iso6] C61H114O6 942.861511 NA HMDB2010 NA NA +HMDB05467 TG(18:2(9Z,12Z)/20:0/20:0)[iso3] C61H114O6 942.861511 NA HMDB2010 NA NA +PJ092388 TCCCCCCCC C28H49N9O11S8 943.1318 NA PeJP NA NA +MJ098348 Feruloyl-CoA C31H44N7O19P3S 943.162552 NA MeJP NA NA +MetaCyc04336 trans-feruloyl-CoA [feruloyl-CoA;] C31H44N7O19P3S1 943.162552 NA metacyc NA NA +MetaCyc04337 feruloyl-CoA [] C31H44N7O19P3S1 943.162552 NA metacyc NA NA +C00406 Feruloyl-CoA C31H44N7O19P3S 943.1626 NA KEGG NA NA +PJ092389 GCCCCCCCF C32H49N9O10S7 943.1648 NA PeJP NA NA +PJ092390 GSCCCCCCY C32H49N9O12S6 943.1825 NA PeJP NA NA +PJ092391 GSCCCCCEH C31H49N11O13S5 943.2115 NA PeJP NA NA +PJ092392 GSCCDDDDD C31H45N9O21S2 943.2172 NA PeJP NA NA +PJ092393 GPCCCCDDE C32H49N9O16S4 943.2181 NA PeJP NA NA +PJ092394 SCCCCCHW C35H49N11O10S5 943.2268 NA PeJP NA NA +PJ092395 SSSCCCCDH C31H49N11O15S4 943.2293 NA PeJP NA NA +PJ092396 CCCCNMMH C32H53N11O10S6 943.2302 NA PeJP NA NA +PJ092397 PCCCCDDW C36H49N9O13S4 943.2333 NA PeJP NA NA +HMDB03712 (2E)-Dodecenoyl-CoA C33H52N7O17P3S 943.23529 http://www.hmdb.ca/metabolites/HMDB03712 HMDB NA NA +HMDB03712 (2E)-Dodecenoyl-CoA C33H52N7O17P3S 943.23529 HMDB03712 PFEM_hmdb_metabocards_official NA NA +HMDB03712 (2E)-Dodecenoyl-CoA C33H52N7O17P3S 943.235352 NA HMDB2010 NA NA +PJ092398 CCNDDDEM C32H49N9O18S3 943.2358 NA PeJP NA NA +PJ092399 SPPCCCCCE C33H53N9O13S5 943.2367 NA PeJP NA NA +PJ092400 GCCCCNNNN C30H49N13O14S4 943.2405 NA PeJP NA NA +PJ092401 GGGGGGGGGCCCC C30H49N13O14S4 943.2406 NA PeJP NA NA +PJ092402 CCCCNDHF C35H49N11O12S4 943.2445 NA PeJP NA NA +PJ092403 GGCCCCDHF C35H49N11O12S4 943.2446 NA PeJP NA NA +PJ092404 GSCCCNNDE C31H49N11O17S3 943.247 NA PeJP NA NA +PJ092405 CCCDDDDR C31H49N11O17S3 943.2471 NA PeJP NA NA +PJ092406 GSTCCCCMH C32H53N11O12S5 943.2479 NA PeJP NA NA +PJ092407 GCCDDDMW C36H49N9O15S3 943.2511 NA PeJP NA NA +PJ092408 GSSCDDDDM C32H49N9O20S2 943.2536 NA PeJP NA NA +PJ092409 GSPCCCDEM C33H53N9O15S4 943.2544 NA PeJP NA NA +PJ092410 GPPCCCCMM C34H57N9O10S6 943.2553 NA PeJP NA NA +PJ092411 SCCCNNDW C35H49N11O14S3 943.2623 NA PeJP NA NA +PJ092412 SSSCCNNDD C31H49N11O19S2 943.2648 NA PeJP NA NA +PJ092413 SSSSCCCMH C32H53N11O14S4 943.2657 NA PeJP NA NA +PJ092414 CCCDEWW C40H49N9O12S3 943.2663 NA PeJP NA NA +PJ092415 SSCCDDEW C36H49N9O17S2 943.2688 NA PeJP NA NA +PJ092416 SPCCCDMW C37H53N9O12S4 943.2697 NA PeJP NA NA +PJ092417 SSSSCDDDE C32H49N9O22S 943.2713 NA PeJP NA NA +PJ092418 SCNDDEMM C33H53N9O17S3 943.2722 NA PeJP NA NA +PJ092419 CCDDYYY C41H49N7O15S2 943.2728 NA PeJP NA NA +PJ092420 PCCNDMMM C34H57N9O12S5 943.2731 NA PeJP NA NA +PJ092421 CCCCNNER C31H53N13O13S4 943.2769 NA PeJP NA NA +PJ092422 CCMMMYY C39H57N7O10S5 943.2771 NA PeJP NA NA +PJ092423 CCNNNDDF C35H49N11O16S2 943.2801 NA PeJP NA NA +PJ092424 GCCCNQMW C36H53N11O11S4 943.2809 NA PeJP NA NA +PJ092425 SCCDDDMR C32H53N11O16S3 943.2834 NA PeJP NA NA +PJ092426 PCCCCEMR C33H57N11O11S5 943.2843 NA PeJP NA NA +PJ092427 CCCNNNHH C33H49N15O12S3 943.2848 NA PeJP NA NA +PJ092428 GNDDDDMY C36H49N9O19S 943.2866 NA PeJP NA NA +PJ092429 GSCDDMMW C37H53N9O14S3 943.2875 NA PeJP NA NA +PJ092430 APCCCMMW C38H57N9O9S5 943.2883 NA PeJP NA NA +PJ092431 ASSSCDDEM C33H53N9O19S2 943.2899 NA PeJP NA NA +PJ092432 GSSSDDDMM C33H53N9O19S2 943.29 NA PeJP NA NA +PJ092433 GNDDMMMM C34H57N9O14S4 943.2908 NA PeJP NA NA +PJ092434 SCCNDEHH C34H49N13O15S2 943.2913 NA PeJP NA NA +PJ092435 CCDMFYY C42H53N7O12S3 943.2915 NA PeJP NA NA +PJ092436 GCCCCNRW C35H53N13O10S4 943.2922 NA PeJP NA NA +PJ092437 GSSCCCNDR C31H53N13O15S3 943.2947 NA PeJP NA NA +PJ092438 SCNNNDDY C35H49N11O18S 943.2978 NA PeJP NA NA +PJ092439 SSCCNNMW C36H53N11O13S3 943.2987 NA PeJP NA NA +PJ092440 SSSSCNNDM C32H53N11O18S2 943.3012 NA PeJP NA NA +PJ092441 CNDDEYW C40H49N9O16S 943.3018 NA PeJP NA NA +PJ092442 SCNNNMMM C33H57N11O13S4 943.302 NA PeJP NA NA +PJ092443 GCCDEMMR C33H57N11O13S4 943.3021 NA PeJP NA NA +PJ092444 SCCEMWW C41H53N9O11S3 943.3027 NA PeJP NA NA +PJ092445 SSNDDDEY C36H49N9O21 943.3043 NA PeJP NA NA +PJ092446 SSSCDEMW C37H53N9O16S2 943.3052 NA PeJP NA NA +PJ092447 CNEMMMW C38H57N9O11S4 943.3061 NA PeJP NA NA +PJ092448 GSCCDHHW C38H49N13O12S2 943.3066 NA PeJP NA NA +PJ092449 SSSSSDDEM C33H53N9O21S 943.3077 NA PeJP NA NA +PJ092450 SSNDEMMM C34H57N9O16S3 943.3086 NA PeJP NA NA +PJ092451 GSSSCDDHH C34H49N13O17S 943.3091 NA PeJP NA NA +PJ092452 SCDMYYY C42H53N7O14S2 943.3092 NA PeJP NA NA +PJ092453 SPCNMMMM C35H61N9O11S5 943.3094 NA PeJP NA NA +PJ092454 GGSPCMMMM C35H61N9O11S5 943.3095 NA PeJP NA NA +PJ092455 GCNDMMHH C35H53N13O12S3 943.3099 NA PeJP NA NA +PJ092456 CCMMFFY C43H57N7O9S4 943.3101 NA PeJP NA NA +PJ092457 DEEEEMY C38H53N7O19S 943.3117 NA PeJP NA NA +PJ092458 GPCDDDHW C39H49N11O15S 943.3131 NA PeJP NA NA +PJ092459 SCCCNQMR C32H57N13O12S4 943.3133 NA PeJP NA NA +PJ092460 GCCCQHFF C40H53N11O10S3 943.3139 NA PeJP NA NA +PJ092461 GGACCCHFF C40H53N11O10S3 943.314 NA PeJP NA NA +PJ092462 GNDDEEEH C35H49N11O20 943.3156 NA PeJP NA NA +PJ092463 GSSSSCCQW C36H53N11O15S2 943.3164 NA PeJP NA NA +PJ092464 GGGGGCNEMY C36H53N11O15S2 943.3165 NA PeJP NA NA +PJ092465 GCDDYWW C44H49N9O13S 943.3171 NA PeJP NA NA +PJ092466 CCDMMRW C37H57N11O10S4 943.3173 NA PeJP NA NA +PJ092467 PCCCFWW C45H53N9O8S3 943.318 NA PeJP NA NA +PJ092468 GSSSSSSCNE C32H53N11O20S 943.3189 NA PeJP NA NA +PJ092469 GSSDDDYW C40H49N9O18 943.3196 NA PeJP NA NA +PJ092470 SSCDDMMR C33H57N11O15S3 943.3198 NA PeJP NA NA +PJ092471 CNNNNNDH C33H49N15O16S 943.3203 NA PeJP NA NA +PJ092472 GSPCCEYW C41H53N9O13S2 943.3205 NA PeJP NA NA +PJ092473 PTCCCMMR C34H61N11O10S5 943.3207 NA PeJP NA NA +PJ092474 GCCCEHHR C34H53N15O11S3 943.3212 NA PeJP NA NA +PJ092475 GCMMMWW C42H57N9O8S4 943.3213 NA PeJP NA NA +PJ092476 GSNDEEMY C37H53N9O18S 943.323 NA PeJP NA NA +PJ092477 GSSDMMMW C38H57N9O13S3 943.3238 NA PeJP NA NA +PJ092478 GCNDDHHF C38H49N13O14S 943.3243 NA PeJP NA NA +PJ092479 CCDFFFY C46H53N7O11S2 943.3245 NA PeJP NA NA +PJ092480 CCQMHHW C39H53N13O9S3 943.3252 NA PeJP NA NA +PJ092481 GSSSSEEMM C34H57N9O18S2 943.3263 NA PeJP NA NA +PJ092482 GDDDDDHR C34H49N13O19 943.3268 NA PeJP NA NA +PJ092483 GSQEMMMM C35H61N9O13S4 943.3272 NA PeJP NA NA +PJ092484 GCCNNDRY C35H53N13O14S2 943.3277 NA PeJP NA NA +PJ092485 ACMMYYY C43H57N7O11S3 943.3278 NA PeJP NA NA +PJ092486 GCCNHHHH C36H49N17O10S2 943.329 NA PeJP NA NA +PJ092487 EEEEMMF C39H57N7O16S2 943.3304 NA PeJP NA NA +PJ092488 NDDEEHW C39H49N11O17 943.3308 NA PeJP NA NA +PJ092489 GSSSCCNMR C32H57N13O14S3 943.331 NA PeJP NA NA +PJ092490 GGGSSSCCMR C32H57N13O14S3 943.3311 NA PeJP NA NA +PJ092491 CNNNMYW C40H53N11O12S2 943.3317 NA PeJP NA NA +PJ092492 SSSSSSCNW C36H53N11O17S 943.3342 NA PeJP NA NA +PJ092493 SSCCCQKW C37H57N11O12S3 943.3351 NA PeJP NA NA +PJ092494 SPCCYWW C45H53N9O10S2 943.3357 NA PeJP NA NA +PJ092495 CCCHHRW C38H53N15O8S3 943.3364 NA PeJP NA NA +PJ092496 SSSSSSSSND C32H53N11O22 943.3367 NA PeJP NA NA +PJ092497 SSTTTCCNQ C33H57N11O17S2 943.3375 NA PeJP NA NA +PJ092498 SSSSSNNMM C33H57N11O17S2 943.3376 NA PeJP NA NA +PJ092499 SNDEMYW C41H53N9O15S 943.3382 NA PeJP NA NA +PJ092500 GSCEMMMR C34H61N11O12S4 943.3384 NA PeJP NA NA +PJ092501 GGGGTCCKMM C34H61N11O12S4 943.3385 NA PeJP NA NA +PJ092502 SSCCDHHR C34H53N15O13S2 943.3389 NA PeJP NA NA +PJ092503 STCMMWW C42H57N9O10S3 943.3391 NA PeJP NA NA +PJ092504 SSSNEEEY C37H53N9O20 943.3407 NA PeJP NA NA +PJ092505 SSSSEMMW C38H57N9O15S2 943.3416 NA PeJP NA NA +PJ092506 GSNNDDHW C38H49N13O16 943.3421 NA PeJP NA NA +PJ092507 GCEFYYY C46H53N7O13S 943.3422 NA PeJP NA NA +PJ092508 SQMMMMW C39H61N9O10S4 943.3424 NA PeJP NA NA +PJ092509 TNMMMMW C39H61N9O10S4 943.3425 NA PeJP NA NA +PJ092510 GSSCMHHW C39H53N13O11S2 943.3429 NA PeJP NA NA +PJ092511 GGGGAPCCHW C39H53N13O11S2 943.343 NA PeJP NA NA +PJ092512 CCMFFFF C47H57N7O8S3 943.3431 NA PeJP NA NA +PJ092513 SSSSSTEEM C34H57N9O20S 943.3441 NA PeJP NA NA +PJ092514 PDEEEYY C42H53N7O18 943.3447 NA PeJP NA NA +PJ092515 DEEEEFF C42H53N7O18 943.3448 NA PeJP NA NA +PJ092516 SSTQEMMM C35H61N9O15S3 943.345 NA PeJP NA NA +PJ092517 SPCDDDHR C35H53N13O16S 943.3454 NA PeJP NA NA +PJ092518 GGGGGNEEMH C35H53N13O16S 943.3455 NA PeJP NA NA +PJ092519 SSMMYYY C43H57N7O13S2 943.3456 NA PeJP NA NA +PJ092520 AAQMMMMM C36H65N9O10S5 943.3458 NA PeJP NA NA +PJ092521 GDDEHWW C43H49N11O14 943.3461 NA PeJP NA NA +PJ092522 GCCNNMFR C36H57N13O11S3 943.3463 NA PeJP NA NA +PJ092523 SSSSSCCQR C32H57N13O16S2 943.3488 NA PeJP NA NA +PJ092524 GSSCNQYW C40H53N11O14S 943.3494 NA PeJP NA NA +PJ092525 SCDDRYW C40H53N11O14S 943.3495 NA PeJP NA NA +PJ092526 SCCCNKMR C33H61N13O11S4 943.3497 NA PeJP NA NA +PJ092527 APPCCMHW C41H57N11O9S3 943.3503 NA PeJP NA NA +PJ092528 GSSSSNNEY C36H53N11O19 943.3519 NA PeJP NA NA +PJ092529 SSSDDDRY C36H53N11O19 943.352 NA PeJP NA NA +PJ092530 GSSSSCCKW C37H57N11O14S2 943.3528 NA PeJP NA NA +PJ092531 GGGGGPPPCDM C37H57N11O14S2 943.3529 NA PeJP NA NA +PJ092532 GSDMYWW C45H53N9O12S 943.3535 NA PeJP NA NA +PJ092533 SCMMMRW C38H61N11O9S4 943.3537 NA PeJP NA NA +PJ092534 DMMHHHH C38H53N15O10S2 943.3542 NA PeJP NA NA +PJ092535 GSSSSSSSQM C33H57N11O19S 943.3553 NA PeJP NA NA +PJ092536 GSSSEEYW C41H53N9O17 943.356 NA PeJP NA NA +PJ092537 SSSDMMMR C34H61N11O14S3 943.3562 NA PeJP NA NA +PJ092538 GCNNDEHR C34H53N15O15S 943.3567 NA PeJP NA NA +PJ092539 GQEMMYW C42H57N9O12S2 943.3568 NA PeJP NA NA +PJ092540 GGAEMMYW C42H57N9O12S2 943.3569 NA PeJP NA NA +PJ092541 NMMMMMR C35H65N11O9S5 943.3571 NA PeJP NA NA +PJ092542 CFYYYW C50H53N7O10S 943.3575 NA PeJP NA NA +PJ092543 GSTQEEMY C38H57N9O17S 943.3593 NA PeJP NA NA +PJ092544 GGGTTEEMY C38H57N9O17S 943.3594 NA PeJP NA NA +PJ092545 GSEYYYY C46H53N7O15 943.36 NA PeJP NA NA +PJ092546 GSTTMMMW C39H61N9O12S3 943.3602 NA PeJP NA NA +PJ092547 SSSTCHHW C39H53N13O13S 943.3607 NA PeJP NA NA +PJ092548 ACMFFYY C47H57N7O10S2 943.3609 NA PeJP NA NA +PJ092549 DDHWWW C47H49N11O11 943.3613 NA PeJP NA NA +PJ092550 CCKMHHW C40H57N13O8S3 943.3616 NA PeJP NA NA +MJ098349 Taxol?; 10-De-Ac, 7-O-?-D-xylopyranoside C50H57NO17 943.362649 NA MeJP NA NA +PJ092551 GSSTTTEMM C35H61N9O17S2 943.3627 NA PeJP NA NA +PJ092552 GSDDEEHR C35H53N13O18 943.3632 NA PeJP NA NA +PJ092553 PEEEMFY C43H57N7O15S 943.3634 NA PeJP NA NA +PJ092554 GSKEMMMM C36H65N9O12S4 943.3636 NA PeJP NA NA +PJ092555 ASCCNQRY C36H57N13O13S2 943.364 NA PeJP NA NA +PJ092556 CCDERRY C36H57N13O13S2 943.3641 NA PeJP NA NA +PJ092557 GNNNDHHH C36H49N17O14 943.3645 NA PeJP NA NA +PJ092558 GGGGGNDHHH C36H49N17O14 943.3646 NA PeJP NA NA +PJ092559 SPCEHWW C44H53N11O11S 943.3647 NA PeJP NA NA +PJ092560 GSSSSSSSCR C32H57N13O18S 943.3666 NA PeJP NA NA +PJ092561 LEEEMMY C40H61N7O15S2 943.3667 NA PeJP NA NA +PJ092562 SSSSNNYW C40H53N11O16 943.3672 NA PeJP NA NA +PJ092563 GSSTCCCKR C33H61N13O13S3 943.3674 NA PeJP NA NA +PJ092564 GCEMRYW C41H57N11O11S2 943.3681 NA PeJP NA NA +PJ092565 DDHHHHF C41H49N15O12 943.3686 NA PeJP NA NA +PJ092566 TCYWWW C49H53N9O9S 943.3687 NA PeJP NA NA +PJ092567 GSSDEMRY C37H57N11O16S 943.3706 NA PeJP NA NA +PJ092568 SSSEYWW C45H53N9O14 943.3712 NA PeJP NA NA +PJ092569 NDMMMFR C38H61N11O11S3 943.3714 NA PeJP NA NA +PJ092570 SSCCCKKW C38H61N11O11S3 943.3715 NA PeJP NA NA +PJ092571 CNNDHRW C38H53N15O12S 943.3719 NA PeJP NA NA +PJ092572 QMMYWW C46H57N9O9S2 943.3721 NA PeJP NA NA +PJ092573 SSSSSSSSTQ C33H57N11O21 943.3731 NA PeJP NA NA +PJ092574 CHHHHHH C39H49N19O8S 943.3733 NA PeJP NA NA +PJ092575 SSSSSCQKM C34H61N11O16S2 943.3739 NA PeJP NA NA +PJ092576 GGSSSSTCKM C34H61N11O16S2 943.374 NA PeJP NA NA +PJ092577 SSNNDDHR C34H53N15O17 943.3744 NA PeJP NA NA +PJ092578 GGGGGGGGGSSTH C34H53N15O17 943.3745 NA PeJP NA NA +PJ092579 STQEMYW C42H57N9O14S 943.3746 NA PeJP NA NA +PJ092580 GSTMMMMR C35H65N11O11S4 943.3748 NA PeJP NA NA +PJ092581 SYYYYW C50H53N7O12 943.3752 NA PeJP NA NA +PJ092582 SSSCMHHR C35H57N15O12S2 943.3753 NA PeJP NA NA +PJ092583 AQMMMFW C43H61N9O9S3 943.3755 NA PeJP NA NA +PJ092584 GNNMHWW C43H53N13O10S 943.3759 NA PeJP NA NA +PJ092585 GGGNMHWW C43H53N13O10S 943.376 NA PeJP NA NA +PJ092586 SSSDKEEY C38H57N9O19 943.3771 NA PeJP NA NA +PJ092587 SSTTTMMW C39H61N9O14S2 943.378 NA PeJP NA NA +PJ092588 GSSNQEHW C39H53N13O15 943.3784 NA PeJP NA NA +PJ092589 SDDEHRW C39H53N13O15 943.3785 NA PeJP NA NA +PJ092590 AAMYYYY C47H57N7O12S 943.3786 NA PeJP NA NA +PJ092591 SKMMMMW C40H65N9O9S4 943.3788 NA PeJP NA NA +PJ092592 GPCKMMMF C40H65N9O9S4 943.3789 NA PeJP NA NA +PJ092593 PCDMHRW C40H57N13O10S2 943.3793 NA PeJP NA NA +PJ092594 SSSTTTTEM C35H61N9O19S 943.3805 NA PeJP NA NA +PJ092595 VEEEEFY C43H57N7O17 943.3811 NA PeJP NA NA +PJ092596 SSTKEMMM C36H65N9O14S3 943.3813 NA PeJP NA NA +PJ092597 SSSCNQRY C36H57N13O15S 943.3818 NA PeJP NA NA +PJ092598 GGGGGGGGGSPPM C36H57N13O15S 943.3819 NA PeJP NA NA +PJ092599 AAKMMMMM C37H69N9O9S5 943.3822 NA PeJP NA NA +PJ092600 GTEEHWW C44H53N11O13 943.3825 NA PeJP NA NA +PJ092601 CCEMFRR C37H61N13O10S3 943.3827 NA PeJP NA NA +PJ092602 CMRYWW C45H57N11O8S2 943.3833 NA PeJP NA NA +PJ092603 SSSSSCCKR C33H61N13O15S2 943.3852 NA PeJP NA NA +PJ092604 SSDMRYW C41H57N11O13S 943.3858 NA PeJP NA NA +PJ092605 GGVEEMHW C41H57N11O13S 943.3859 NA PeJP NA NA +PJ092606 TCCCCKKR C34H65N13O10S4 943.3861 NA PeJP NA NA +PJ092607 NEFYWW C49H53N9O11 943.3865 NA PeJP NA NA +PJ092608 ACMMFRW C42H61N11O8S3 943.3867 NA PeJP NA NA +PJ092609 PCQHHHW C42H53N15O9S 943.3872 NA PeJP NA NA +PJ092610 SSSSEERY C37H57N11O18 943.3883 NA PeJP NA NA +PJ092611 SPPDDEER C37H57N11O18 943.3884 NA PeJP NA NA +PJ092612 SQEMMRY C38H61N11O13S2 943.3892 NA PeJP NA NA +PJ092613 GNNNNQHF C38H53N15O14 943.3897 NA PeJP NA NA +PJ092614 GTTMYWW C46H57N9O11S 943.3899 NA PeJP NA NA +PJ092615 CNMHHFR C39H57N15O9S2 943.3906 NA PeJP NA NA +PJ092616 GSSSSSSSKM C34H61N11O18S 943.3917 NA PeJP NA NA +PJ092617 VNQEEYY C42H57N9O16 943.3923 NA PeJP NA NA +PJ092618 GSTTTEYW C42H57N9O16 943.3924 NA PeJP NA NA +PJ092619 SSTTMMMR C35H65N11O13S3 943.3926 NA PeJP NA NA +PJ092620 ASCNQEHR C35H57N15O14S 943.393 NA PeJP NA NA +PJ092621 DDDMHRR C35H57N15O14S 943.3931 NA PeJP NA NA +PJ092622 GKEMMYW C43H61N9O11S2 943.3932 NA PeJP NA NA +PJ092623 SSNQHWW C43H53N13O12 943.3937 NA PeJP NA NA +PJ092624 ACFFFFY C51H57N7O9S 943.3939 NA PeJP NA NA +PJ092625 GSTKEEMY C39H61N9O16S 943.3957 NA PeJP NA NA +PJ092626 GGPPVEEEM C39H61N9O16S 943.3958 NA PeJP NA NA +PJ092627 ATTYYYY C47H57N7O14 943.3964 NA PeJP NA NA +PJ092628 GSPKMMMY C40H65N9O11S3 943.3966 NA PeJP NA NA +PJ092629 GEEMHRW C40H57N13O12S 943.3971 NA PeJP NA NA +PJ092630 TEHWWW C48H53N11O10 943.3977 NA PeJP NA NA +PJ092631 SSSSTTLMM C36H65N9O16S2 943.3991 NA PeJP NA NA +PJ092632 GSSSSSNRY C36H57N13O17 943.3996 NA PeJP NA NA +PJ092633 PLEEMYY C44H61N7O14S 943.3998 NA PeJP NA NA +PJ092634 ATTKMMMM C37H69N9O11S4 943.4 NA PeJP NA NA +PJ092635 SCEMRRY C37H61N13O12S2 943.4004 NA PeJP NA NA +PJ092636 GGSSCCKFR C37H61N13O12S2 943.4005 NA PeJP NA NA +PJ092637 NDEHHHR C37H53N17O13 943.4009 NA PeJP NA NA +PJ092638 GVEMHWW C45H57N11O10S 943.4011 NA PeJP NA NA +PJ092639 GFYWWW C53H53N9O8 943.4017 NA PeJP NA NA +PJ092640 SKEEEHW C41H57N11O15 943.4036 NA PeJP NA NA +PJ092641 GSCNDHRR C34H57N17O13S 943.4043 NA PeJP NA NA +PJ092642 GTMMRYW C42H61N11O10S2 943.4045 NA PeJP NA NA +PJ092643 AQEHHHW C42H53N15O11 943.4049 NA PeJP NA NA +PJ092644 GAAEHHHW C42H53N15O11 943.405 NA PeJP NA NA +PJ092645 QMFFWW C50H57N9O8S 943.4051 NA PeJP NA NA +PJ092646 GSTTEMRY C38H61N11O15S 943.407 NA PeJP NA NA +PJ092647 STTTYWW C46H57N9O13 943.4076 NA PeJP NA NA +PJ092648 VNMMMRY C39H65N11O10S3 943.4078 NA PeJP NA NA +PJ092649 GGACCKKMF C39H65N11O10S3 943.4079 NA PeJP NA NA +PJ092650 SNNMHRW C39H57N15O11S 943.4083 NA PeJP NA NA +PJ092651 KMMYWW C47H61N9O8S2 943.4085 NA PeJP NA NA +PJ092652 GNHHFFW C47H53N13O9 943.409 NA PeJP NA NA +PJ092653 SSSSSSSSTK C34H61N11O20 943.4095 NA PeJP NA NA +PJ092654 SSSSSCKKM C35H65N11O15S2 943.4103 NA PeJP NA NA +PJ092655 GPNDDDRR C35H57N15O16 943.4108 NA PeJP NA NA +PJ092656 GGGGGGGGGGGGLQ C35H57N15O16 943.4109 NA PeJP NA NA +PJ092657 STKEMYW C43H61N9O13S 943.411 NA PeJP NA NA +PJ092658 TCCCKKKM C36H69N11O10S4 943.4112 NA PeJP NA NA +PJ092659 AAFFYYY C51H57N7O11 943.4116 NA PeJP NA NA +PJ092660 NQQMMHR C36H61N15O11S2 943.4117 NA PeJP NA NA +PJ092661 AKMMMFW C44H65N9O8S3 943.4119 NA PeJP NA NA +PJ092662 EMHRWW C44H57N13O9S 943.4123 NA PeJP NA NA +PJ092663 SSTTKEEY C39H61N9O18 943.4135 NA PeJP NA NA +PJ092664 SSPTKMMY C40H65N9O13S2 943.4143 NA PeJP NA NA +PJ092665 DKKEMMY C40H65N9O13S2 943.4144 NA PeJP NA NA +PJ092666 STEEHRW C40H57N13O14 943.4148 NA PeJP NA NA +PJ092667 GGGGPEERW C40H57N13O14 943.4149 NA PeJP NA NA +PJ092668 SPMMHRW C41H61N13O9S2 943.4157 NA PeJP NA NA +PJ092669 GDHHHRW C41H53N17O10 943.4162 NA PeJP NA NA +PJ092670 VMHWWW C49H57N11O7S 943.4164 NA PeJP NA NA +PJ092671 STTTTTTTM C36H65N9O18S 943.4168 NA PeJP NA NA +PJ092672 VLEEEYY C44H61N7O16 943.4175 NA PeJP NA NA +PJ092673 TTTTKMMM C37H69N9O13S3 943.4177 NA PeJP NA NA +PJ092674 SSSCNKRY C37H61N13O14S 943.4182 NA PeJP NA NA +PJ092675 SSLEHWW C45H57N11O12 943.4188 NA PeJP NA NA +PJ092676 VTTDHWW C45H57N11O12 943.4189 NA PeJP NA NA +PJ092677 GMMMRRY C38H65N13O9S3 943.4191 NA PeJP NA NA +PJ092678 GPTCHHHR C38H57N17O10S 943.4196 NA PeJP NA NA +PJ092679 AAHHHWW C46H53N15O8 943.4202 NA PeJP NA NA +PJ092680 GNNNNQQR C34H57N17O15 943.422 NA PeJP NA NA +PJ092681 GGGGGNNQQR C34H57N17O15 943.4221 NA PeJP NA NA +PJ092682 STTMRYW C42H61N11O12S 943.4222 NA PeJP NA NA +PJ092683 GGGGGAPPPMF C42H61N11O12S 943.4223 NA PeJP NA NA +PJ092684 VQYYWW C50H57N9O10 943.4229 NA PeJP NA NA +PJ092685 PCKHHHW C43H57N15O8S 943.4236 NA PeJP NA NA +PJ092686 SSTTTERY C38H61N11O17 943.4247 NA PeJP NA NA +PJ092687 GGGAAPKEEE C38H61N11O17 943.4248 NA PeJP NA NA +PJ092688 SKEMMRY C39H65N11O12S2 943.4256 NA PeJP NA NA +PJ092689 GSSSQHRW C39H57N15O13 943.4261 NA PeJP NA NA +PJ092690 GPKMYYW C47H61N9O10S 943.4262 NA PeJP NA NA +PJ092691 PPVEMWW C47H61N9O10S 943.4263 NA PeJP NA NA +PJ092692 SSSTTLYW C43H61N9O15 943.4287 NA PeJP NA NA +PJ092693 AAPLEEEW C43H61N9O15 943.4288 NA PeJP NA NA +PJ092694 SEEMHRR C36H61N15O13S 943.4294 NA PeJP NA NA +PJ092695 GGSPPCDRR C36H61N15O13S 943.4295 NA PeJP NA NA +PJ092696 SVKMMYW C44H65N9O10S2 943.4296 NA PeJP NA NA +PJ092697 GPNERWW C44H57N13O11 943.4301 NA PeJP NA NA +PJ092698 SSSLKEMY C40H65N9O15S 943.4321 NA PeJP NA NA +PJ092699 PPLEYYY C48H61N7O13 943.4328 NA PeJP NA NA +PJ092700 LQKMMMY C41H69N9O10S3 943.433 NA PeJP NA NA +PJ092701 SQQKMHW C41H61N13O11S 943.4334 NA PeJP NA NA +PJ092702 SVEMHRW C41H61N13O11S 943.4335 NA PeJP NA NA +PJ092703 AAPQWWW C49H57N11O9 943.4341 NA PeJP NA NA +PJ092704 CCNHRRR C34H61N19O9S2 943.4342 NA PeJP NA NA +PJ092705 SSSSPTNKH C37H61N13O16 943.4359 NA PeJP NA NA +PJ092706 PEEEERR C37H61N13O16 943.436 NA PeJP NA NA +PJ092707 LLEEMFY C45H65N7O13S 943.4361 NA PeJP NA NA +PJ092708 STMMRRY C38H65N13O11S2 943.4368 NA PeJP NA NA +PJ092709 GGGAAPPMMR C38H65N13O11S2 943.4369 NA PeJP NA NA +PJ092710 TQEHHHR C38H57N17O12 943.4373 NA PeJP NA NA +PJ092711 ATLMHWW C46H61N11O9S 943.4375 NA PeJP NA NA +PJ092712 PVEEERW C42H61N11O14 943.44 NA PeJP NA NA +PJ092713 GSSNMHRR C35H61N17O12S 943.4407 NA PeJP NA NA +PJ092714 VLQMMHW C43H65N11O9S2 943.4409 NA PeJP NA NA +PJ092715 GNQHFRW C43H57N15O10 943.4413 NA PeJP NA NA +PJ092716 KMFFWW C51H61N9O7S 943.4415 NA PeJP NA NA +PJ092717 SSSTLMRY C39H65N11O14S 943.4433 NA PeJP NA NA +PJ092718 GGSSSKKMY C39H65N11O14S 943.4434 NA PeJP NA NA +PJ092719 PVVEEWW C47H61N9O12 943.444 NA PeJP NA NA +PJ092720 CLKMMRY C40H69N11O9S3 943.4442 NA PeJP NA NA +PJ092721 SCQKHRW C40H61N15O10S 943.4447 NA PeJP NA NA +PJ092722 PNRWWW C48H57N13O8 943.4453 NA PeJP NA NA +PJ092723 GGPRWWW C48H57N13O8 943.4454 NA PeJP NA NA +PJ092724 GSPNEERR C36H61N15O15 943.4472 NA PeJP NA NA +PJ092725 APPTLEMW C44H65N9O12S 943.4474 NA PeJP NA NA +PJ092726 VDMMHRR C37H65N15O10S2 943.4481 NA PeJP NA NA +PJ092727 SDHHHRR C37H57N19O11 943.4485 NA PeJP NA NA +PJ092728 GCKKHWW C45H61N13O8S 943.4487 NA PeJP NA NA +PJ092729 TTTTTKEY C40H65N9O17 943.4499 NA PeJP NA NA +PJ092730 GTTLKMMY C41H69N9O12S2 943.4507 NA PeJP NA NA +PJ092731 PPVLQEMM C41H69N9O12S2 943.4508 NA PeJP NA NA +PJ092732 PNDKERW C41H61N13O13 943.4512 NA PeJP NA NA +PJ092733 GGGGGGGGGLLW C41H61N13O13 943.4513 NA PeJP NA NA +PJ092734 ALMMHRW C42H65N13O8S2 943.4521 NA PeJP NA NA +PJ092735 ATHHHRW C42H57N17O9 943.4526 NA PeJP NA NA +PJ092736 GTTLEMHR C38H65N13O13S 943.4546 NA PeJP NA NA +PJ092737 TTTLHWW C46H61N11O11 943.4552 NA PeJP NA NA +PJ092738 GAAPKEWW C46H61N11O11 943.4553 NA PeJP NA NA +PJ092739 VQMHHHR C39H61N17O9S 943.4559 NA PeJP NA NA +PJ092740 SSSSQHRR C35H61N17O14 943.4584 NA PeJP NA NA +PJ092741 GGGGGAQERR C35H61N17O14 943.4585 NA PeJP NA NA +PJ092742 TLKEMHW C43H65N11O11S 943.4586 NA PeJP NA NA +PJ092743 VKYYWW C51H61N9O9 943.4593 NA PeJP NA NA +PJ092744 TTTTTTRY C39H65N11O16 943.4611 NA PeJP NA NA +PJ092745 GSCKKKMY C40H69N11O11S2 943.462 NA PeJP NA NA +PJ092746 AQQQQRW C40H61N15O12 943.4624 NA PeJP NA NA +PJ092747 SPNERRW C40H61N15O12 943.4625 NA PeJP NA NA +PJ092748 GLKMFYW C48H65N9O9S 943.4626 NA PeJP NA NA +MJ098350 Liposidomycin; Liposidomycin H-I, Desulfo C43H69N5O18 943.46376 NA MeJP NA NA +PJ092749 GPTLLEEW C44H65N9O14 943.4651 NA PeJP NA NA +PJ092750 GGPPVLEEF C44H65N9O14 943.4652 NA PeJP NA NA +PJ092751 PQQEMRR C37H65N15O12S 943.4658 NA PeJP NA NA +PJ092752 GGGGGGAPKMR C37H65N15O12S 943.4659 NA PeJP NA NA +PJ092753 GPPLLMMW C45H69N9O9S2 943.466 NA PeJP NA NA +PJ092754 GPDKRWW C45H61N13O10 943.4665 NA PeJP NA NA +PJ092755 AMHHHRR C38H61N19O8S 943.4672 NA PeJP NA NA +PJ092756 STTTLKMY C41H69N9O14S 943.4685 NA PeJP NA NA +PJ092757 PLLEFYY C49H65N7O12 943.4692 NA PeJP NA NA +PJ092758 LKKMMMY C42H73N9O9S3 943.4694 NA PeJP NA NA +PJ092759 NNNDRRR C34H61N19O13 943.4697 NA PeJP NA NA +PJ092760 TTLMHRW C42H65N13O10S 943.4698 NA PeJP NA NA +PJ092761 GGPLQMRW C42H65N13O10S 943.4699 NA PeJP NA NA +PJ092762 AAPKWWW C50H61N11O8 943.4705 NA PeJP NA NA +PJ092763 STTTLEHR C38H65N13O15 943.4723 NA PeJP NA NA +PJ092764 ASPQKEER C38H65N13O15 943.4724 NA PeJP NA NA +PJ092765 LLLEMYY C46H69N7O12S 943.4725 NA PeJP NA NA +PJ092766 LKEMMHR C39H69N13O10S2 943.4732 NA PeJP NA NA +PJ092767 GNQQRRW C39H61N17O11 943.4737 NA PeJP NA NA +PJ092768 PPCKKWW C47H65N11O8S 943.4739 NA PeJP NA NA +PJ092769 SSTTLLHW C43H65N11O13 943.4764 NA PeJP NA NA +PJ092770 PNDMRRR C36H65N17O11S 943.4771 NA PeJP NA NA +PJ092771 VLKMMHW C44H69N11O8S2 943.4772 NA PeJP NA NA +PJ092772 GSPRRWW C44H61N15O9 943.4777 NA PeJP NA NA +PJ092773 SSTCKKKY C40H69N11O13S 943.4797 NA PeJP NA NA +PJ092774 GPLLEEMR C40H69N11O13S 943.4798 NA PeJP NA NA +PJ092775 PTLLEWW C48H65N9O11 943.4804 NA PeJP NA NA +PJ092776 APQMRRW C41H65N15O9S 943.4811 NA PeJP NA NA +PJ092777 LHFRWW C49H61N13O7 943.4817 NA PeJP NA NA +PJ092778 VQQEERR C37H65N15O14 943.4836 NA PeJP NA NA +PJ092779 VLQKMYY C45H69N9O11S 943.4837 NA PeJP NA NA +PJ092780 GPVLLEMW C45H69N9O11S 943.4838 NA PeJP NA NA +PJ092781 TLMMHRR C38H69N15O9S2 943.4845 NA PeJP NA NA +PJ092782 TTHHHRR C38H61N19O10 943.4849 NA PeJP NA NA +PJ092783 SPLLKEEE C41H69N9O16 943.4863 NA PeJP NA NA +PJ092784 PPVLKEMM C42H73N9O11S2 943.4871 NA PeJP NA NA +PJ092785 PTQKERW C42H65N13O12 943.4876 NA PeJP NA NA +PJ092786 SSTLLMHR C39H69N13O12S 943.491 NA PeJP NA NA +PJ092787 APKKEWW C47H65N11O10 943.4916 NA PeJP NA NA +PJ092788 APCRRRW C40H65N17O8S 943.4923 NA PeJP NA NA +PJ092789 AQEERRR C36H65N17O13 943.4948 NA PeJP NA NA +PJ092790 GGGGGGGGGKKR C36H65N17O13 943.4949 NA PeJP NA NA +PJ092791 PLLEMRW C44H69N11O10S 943.495 NA PeJP NA NA +PJ092792 PPVLFWW C52H65N9O8 943.4957 NA PeJP NA NA +PJ092793 GVLLEEER C40H69N11O15 943.4975 NA PeJP NA NA +PJ092794 SPPLLMMR C41H73N11O10S2 943.4984 NA PeJP NA NA +PJ092795 GLQERRW C41H65N15O11 943.4988 NA PeJP NA NA +PJ092796 GGALERRW C41H65N15O11 943.4989 NA PeJP NA NA +PJ092797 PVLLMWW C49H69N9O8S 943.499 NA PeJP NA NA +PJ092798 AALLLEEW C45H69N9O13 943.5015 NA PeJP NA NA +PJ092799 PQKEMRR C38H69N15O11S 943.5022 NA PeJP NA NA +PJ092800 LKKMMFF C46H73N9O8S2 943.5024 NA PeJP NA NA +PJ092801 APTKRWW C46H65N13O9 943.5029 NA PeJP NA NA +PJ092802 PVVLKEEM C42H73N9O13S 943.5049 NA PeJP NA NA +PJ092803 PLLLYYY C50H69N7O11 943.5055 NA PeJP NA NA +PJ092804 SNQQRRR C35H65N19O12 943.506 NA PeJP NA NA +PJ092805 GDERRRR C35H65N19O12 943.5061 NA PeJP NA NA +PJ092806 PVQKMRW C43H69N13O9S 943.5062 NA PeJP NA NA +PJ092807 LLEEERR C39H69N13O14 943.5087 NA PeJP NA NA +PJ092808 GGGVLKEER C39H69N13O14 943.5088 NA PeJP NA NA +PJ092809 GPPKKMMR C40H73N13O9S2 943.5096 NA PeJP NA NA +PJ092810 AAERRRW C40H65N17O10 943.5101 NA PeJP NA NA +PJ092811 LLQQKEW C44H69N11O12 943.5127 NA PeJP NA NA +PJ092812 VLLEERW C44H69N11O12 943.5128 NA PeJP NA NA +PJ092813 PTQMRRR C37H69N17O10S 943.5134 NA PeJP NA NA +PJ092814 GAPTMRRR C37H69N17O10S 943.5135 NA PeJP NA NA +MJ098351 Nursimycin C47H77NO18 943.514064 NA MeJP NA NA +PJ092815 LQRRWW C45H65N15O8 943.5141 NA PeJP NA NA +PJ092816 SPVLLEMR C41H73N11O12S 943.5161 NA PeJP NA NA +PJ092817 GGGGGGLLLLM C41H73N11O12S 943.5162 NA PeJP NA NA +PJ092818 VVLLEWW C49H69N9O10 943.5168 NA PeJP NA NA +PJ092819 APKMRRW C42H69N15O8S 943.5175 NA PeJP NA NA +PJ092820 VQKEERR C38H69N15O13 943.52 NA PeJP NA NA +PJ092821 VLKKMYY C46H73N9O10S 943.5201 NA PeJP NA NA +PJ092822 APTLLLMW C46H73N9O10S 943.5202 NA PeJP NA NA +PJ092823 DRRRRW C39H65N19O9 943.5213 NA PeJP NA NA +PJ092824 TLLLLDQE C42H73N9O15 943.5226 NA PeJP NA NA +PJ092825 ALLLKEEE C42H73N9O15 943.5227 NA PeJP NA NA +PJ092826 PVLLLQMM C43H77N9O10S2 943.5235 NA PeJP NA NA +PJ092827 PTKKERW C43H69N13O11 943.524 NA PeJP NA NA +PJ092828 PTCRRRR C36H69N19O9S 943.5247 NA PeJP NA NA +PJ092829 GPVKKEMR C40H73N13O11S 943.5274 NA PeJP NA NA +PJ092830 SPLKKWW C48H69N11O9 943.528 NA PeJP NA NA +PJ092831 AKEERRR C37H69N17O12 943.5312 NA PeJP NA NA +PJ092832 AAPLKKMW C45H73N11O9S 943.5314 NA PeJP NA NA +MJ098352 Dynastin 6 C41H73N11O14 943.533846 NA MeJP NA NA +PJ092833 ATLLLEER C41H73N11O14 943.5339 NA PeJP NA NA +PJ092834 APLLLMMR C42H77N11O9S2 943.5348 NA PeJP NA NA +PJ092835 GLKERRW C42H69N15O10 943.5352 NA PeJP NA NA +PJ092836 GTLLLLEW C46H73N9O12 943.5379 NA PeJP NA NA +PJ092837 PKKEMRR C39H73N15O10S 943.5386 NA PeJP NA NA +PJ092838 GVLKRWW C47H69N13O8 943.5393 NA PeJP NA NA +PJ092839 PTLLLKEM C43H77N9O12S 943.5413 NA PeJP NA NA +PJ092840 LLLLFYY C51H73N7O10 943.5419 NA PeJP NA NA +PJ092841 ATERRRR C36H69N19O11 943.5424 NA PeJP NA NA +PJ092842 GGGGTKRRR C36H69N19O11 943.5425 NA PeJP NA NA +PJ092843 PVKKMRW C44H73N13O8S 943.5426 NA PeJP NA NA +PJ092844 AALKKEER C40H73N13O13 943.5451 NA PeJP NA NA +PJ092845 GTLRRRW C41H69N17O9 943.5465 NA PeJP NA NA +PJ092846 LLQKKEW C45H73N11O11 943.5491 NA PeJP NA NA +PJ092847 GALLKKEW C45H73N11O11 943.5492 NA PeJP NA NA +PJ092848 PTKMRRR C38H73N17O9S 943.5498 NA PeJP NA NA +PJ092849 LKRRWW C46H69N15O7 943.5505 NA PeJP NA NA +PJ092850 GLLLLEMR C42H77N11O11S 943.5525 NA PeJP NA NA +PJ092851 TLLLLWW C50H73N9O9 943.5532 NA PeJP NA NA +PJ092852 SSPTLKRR C39H73N15O12 943.5563 NA PeJP NA NA +PJ092853 VKKEERR C39H73N15O12 943.5564 NA PeJP NA NA +PJ092854 GVLLLLMW C47H77N9O9S 943.5565 NA PeJP NA NA +PJ092855 GPFRRRR C40H69N19O8 943.5577 NA PeJP NA NA +PJ092856 SLLLLKEE C43H77N9O14 943.559 NA PeJP NA NA +PJ092857 PVLLLKMM C44H81N9O9S2 943.5599 NA PeJP NA NA +PJ092858 VVKKERW C44H73N13O10 943.5604 NA PeJP NA NA +PJ092859 GLMRRRR C37H73N19O8S 943.5611 NA PeJP NA NA +PJ092860 APTLKKMR C41H77N13O10S 943.5638 NA PeJP NA NA +PJ092861 ALLKKWW C49H73N11O8 943.5644 NA PeJP NA NA +PJ092862 SLKERRR C38H73N17O11 943.5676 NA PeJP NA NA +PJ092863 LLLLMRW C46H77N11O8S 943.5678 NA PeJP NA NA +PJ092864 STLLLLER C42H77N11O13 943.5703 NA PeJP NA NA +PJ092865 SVLKRRW C43H73N15O9 943.5716 NA PeJP NA NA +PJ092866 SSLLLLLW C47H77N9O11 943.5743 NA PeJP NA NA +PJ092867 LLQKMRR C40H77N15O9S 943.575 NA PeJP NA NA +PJ092868 VVLLLKEM C44H81N9O11S 943.5777 NA PeJP NA NA +PJ092869 STLRRRR C37H73N19O10 943.5788 NA PeJP NA NA +PJ092870 GTLLKKER C41H77N13O12 943.5815 NA PeJP NA NA +PJ092871 LLLHHRR C42H73N17O8 943.5829 NA PeJP NA NA +PJ092872 LLKKKEW C46H77N11O10 943.5855 NA PeJP NA NA +PJ092873 VVKMRRR C39H77N17O8S 943.5862 NA PeJP NA NA +PJ092874 SVLLLLMR C43H81N11O10S 943.5889 NA PeJP NA NA +PJ092875 GTTLLKRR C40H77N15O11 943.5927 NA PeJP NA NA +PJ092876 GAKKKKER C40H77N15O11 943.5928 NA PeJP NA NA +PJ092877 GTTTLLLLL C44H81N9O13 943.5954 NA PeJP NA NA +PJ092878 TLLKKRW C45H77N13O9 943.5968 NA PeJP NA NA +PJ092879 GVLLKKMR C42H81N13O9S 943.6001 NA PeJP NA NA +MJ098353 Sphinxolide A; 8-Demethoxy, 10-deoxy C53H85NO13 943.602091 NA MeJP NA NA +PJ092880 TQKKKRR C39H77N17O10 943.604 NA PeJP NA NA +PJ092881 SVLLKKKE C43H81N11O12 943.6067 NA PeJP NA NA +PJ092882 AKKKKRW C44H77N15O8 943.608 NA PeJP NA NA +PJ092883 PVVLLLKY C48H81N9O10 943.6107 NA PeJP NA NA +PJ092884 LLKKMRR C41H81N15O8S 943.6114 NA PeJP NA NA +PJ092885 TLLLLLKM C45H85N9O10S 943.6141 NA PeJP NA NA +PJ092886 SSLLLKKR C42H81N13O11 943.6179 NA PeJP NA NA +PJ092887 GLLLLLFR C47H81N11O9 943.6219 NA PeJP NA NA +PJ092888 ALLLKKKM C44H85N11O9S 943.6253 NA PeJP NA NA +PJ092889 KKKKKER C41H81N15O10 943.6291 NA PeJP NA NA +PJ092890 VKKKKKW C46H81N13O8 943.6331 NA PeJP NA NA +PJ092891 TKKKKRR C40H81N17O9 943.6404 NA PeJP NA NA +PJ092892 TTLLLKKK C44H85N11O11 943.643 NA PeJP NA NA +PJ092893 VVLLLLKF C49H85N9O9 943.6471 NA PeJP NA NA +PJ092894 ATLKKKKK C43H85N13O10 943.6543 NA PeJP NA NA +MJ098354 Primycin; Primycin A2, 18-De(arabinosyloxy) C51H97N3O12 943.707225 NA MeJP NA NA +2678 NA GGTYSCHFGPLTWVCKPQGG 943.9535 MH2+ Inhouse_peptide NA peptide +7450 coeliac toxic peptide QQPIQPQQFPQQQFF 943.954 MH2+ Inhouse_peptide NA peptide +MJ098355 Geraniin; O-(3,4,5-Trihydroxybenzoyl) C48H32O21 944.143608 NA MeJP NA NA +FL3FAAGS0072 Apigenin 7-Glucuronosyl-(1->3)-[2''-p-coumaroylglucuronosyl)-(1->2)-glucuronide] C42H40O25 944.18586 - knapsack NA NA +FL3FAAGS0073 Apigenin 7-glucuronide-4'-(2'''-E-p-coumaroylglucuronosyl)-(1->2)-glucuronide;4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl 2-O-[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid C42H40O25 944.18586 365971-57-9 knapsack NA NA +MJ098356 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(4,6-di-O-malonyl-?-D-glucopyranoside) C42H41O25(+) 944.185866 NA MeJP NA NA +PJ092895 GCCCCCCNH C30H48N12O11S6 944.189 NA PeJP NA NA +PJ092896 CCCCDMMH C32H52N10O11S6 944.2142 NA PeJP NA NA +PJ092897 CCDDDDEM C32H48N8O19S3 944.2198 NA PeJP NA NA +PJ092898 GCCCCNNND C30H48N12O15S4 944.2245 NA PeJP NA NA +PJ092899 GGGGGCCCCND C30H48N12O15S4 944.2246 NA PeJP NA NA +PJ092900 CCCCDDHF C35H48N10O13S4 944.2286 NA PeJP NA NA +PJ092901 GSCCCNDDE C31H48N10O18S3 944.2311 NA PeJP NA NA +PJ092902 GPCCCCNDM C32H52N10O13S5 944.2319 NA PeJP NA NA +PJ092903 CCCCCHHH C33H48N14O9S5 944.2333 NA PeJP NA NA +MJ098357 Betanidin; 5-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?5)-?-D-apiofuranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside] C42H44N2O23 944.233485 NA MeJP NA NA +PJ092904 GCCCCMYY C37H52N8O11S5 944.2359 NA PeJP NA NA +PJ092905 SCCCNDDW C35H48N10O15S3 944.2463 NA PeJP NA NA +PJ092906 PCCCCCQW C36H52N10O10S5 944.2472 NA PeJP NA NA +PJ092907 SSSCCNDDD C31H48N10O20S2 944.2488 NA PeJP NA NA +PJ092908 CCNNDDMM C32H52N10O15S4 944.2497 NA PeJP NA NA +PJ092909 SCCCMMMH C33H56N10O10S6 944.2506 NA PeJP NA NA +PJ092910 PCCDDDDY C36H48N8O18S2 944.2528 NA PeJP NA NA +PJ092911 STCCCCYY C37H52N8O13S4 944.2537 NA PeJP NA NA +PJ092912 SCDDDEMM C33H52N8O18S3 944.2562 NA PeJP NA NA +PJ092913 PCCDDMMM C34H56N8O13S5 944.2571 NA PeJP NA NA +PJ092914 CCCCNDER C31H52N12O14S4 944.2609 NA PeJP NA NA +PJ092915 CCNNDDDF C35H48N10O17S2 944.2641 NA PeJP NA NA +PJ092916 GCCCNEMW C36H52N10O12S4 944.2649 NA PeJP NA NA +PJ092917 GGGCCCEMW C36H52N10O12S4 944.265 NA PeJP NA NA +PJ092918 GSSCCNDEM C32H52N10O17S3 944.2674 NA PeJP NA NA +PJ092919 GGGSSCCDEM C32H52N10O17S3 944.2675 NA PeJP NA NA +PJ092920 GSPCCCNMM C33H56N10O12S5 944.2683 NA PeJP NA NA +PJ092921 CCCNNDHH C33H48N14O13S3 944.2688 NA PeJP NA NA +PJ092922 GCCCCFFY C41H52N8O10S4 944.269 NA PeJP NA NA +PJ092923 GDDDDDMY C36H48N8O20S 944.2706 NA PeJP NA NA +PJ092924 PCCDDDMF C37H52N8O15S3 944.2715 NA PeJP NA NA +PJ092925 GDDDMMMM C34H56N8O15S4 944.2748 NA PeJP NA NA +PJ092926 SCCDDEHH C34H48N12O16S2 944.2753 NA PeJP NA NA +PJ092927 GCCCCDRW C35H52N12O11S4 944.2762 NA PeJP NA NA +PJ092928 GSSCCCDDR C31H52N12O16S3 944.2787 NA PeJP NA NA +PJ092929 ASPCCCCCR C32H56N12O11S5 944.2795 NA PeJP NA NA +PJ092930 GPTCCCCCR C32H56N12O11S5 944.2796 NA PeJP NA NA +MJ098358 Sweroside; 4'-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(?3)-2,3-dihydroxybenzoyl], 2',3',6'-tri-Ac C41H52O25 944.279767 NA MeJP NA NA +PJ092931 CCCNMWW C40H52N10O9S4 944.2802 NA PeJP NA NA +PJ092932 SCNNDDDY C35H48N10O19S 944.2818 NA PeJP NA NA +PJ092933 SSCCNDMW C36H52N10O14S3 944.2827 NA PeJP NA NA +PJ092934 PCCCCCKW C37H56N10O9S5 944.2836 NA PeJP NA NA +PJ092935 SSSSCNDDM C32H52N10O19S2 944.2852 NA PeJP NA NA +PJ092936 CDDDEYW C40H48N8O17S 944.2859 NA PeJP NA NA +PJ092937 SCNNDMMM C33H56N10O14S4 944.2861 NA PeJP NA NA +PJ092938 CCCQYYY C41H52N8O12S3 944.2867 NA PeJP NA NA +PJ092939 SSDDDDEY C36H48N8O22 944.2884 NA PeJP NA NA +PJ092940 SPCDDDMY C37H52N8O17S2 944.2892 NA PeJP NA NA +PJ092941 CDEMMMW C38H56N8O12S4 944.2901 NA PeJP NA NA +PJ092942 SSDDEMMM C34H56N8O17S3 944.2926 NA PeJP NA NA +PJ092943 SPCDMMMM C35H60N8O12S5 944.2935 NA PeJP NA NA +PJ092944 CCCNNNQF C35H52N12O13S3 944.2939 NA PeJP NA NA +PJ092945 GGGGGGCCCQF C35H52N12O13S3 944.294 NA PeJP NA NA +PJ092946 GSSSSSCCNN C31H52N12O18S2 944.2964 NA PeJP NA NA +PJ092947 SCCCNEMR C32H56N12O13S4 944.2973 NA PeJP NA NA +PJ092948 GSTCCCWW C40H52N10O11S3 944.298 NA PeJP NA NA +PJ092949 GDDDEEEH C35H48N10O21 944.2996 NA PeJP NA NA +PJ092950 GSSSSCCEW C36H52N10O16S2 944.3005 NA PeJP NA NA +PJ092951 GSCCQMMW C37H56N10O11S4 944.3013 NA PeJP NA NA +PJ092952 GSSSSSSCDE C32H52N10O21S 944.303 NA PeJP NA NA +PJ092953 GDDDDDFF C40H48N8O19 944.3036 NA PeJP NA NA +PJ092954 GSSSCNEMM C33H56N10O16S3 944.3038 NA PeJP NA NA +PJ092955 CNNNNDDH C33H48N14O17S 944.3043 NA PeJP NA NA +PJ092956 CDDEMFW C41H52N8O14S2 944.3045 NA PeJP NA NA +PJ092957 GCNQMMMM C34H60N10O11S5 944.3047 NA PeJP NA NA +PJ092958 SCCNNMHH C34H52N14O12S3 944.3052 NA PeJP NA NA +PJ092959 GSDDEEMY C37H52N8O19S 944.307 NA PeJP NA NA +PJ092960 GPCDEMMY C38H56N8O14S3 944.3079 NA PeJP NA NA +PJ092961 GCDDDHHF C38H48N12O15S 944.3083 NA PeJP NA NA +PJ092962 SCCCCDRR C31H56N14O12S4 944.3085 NA PeJP NA NA +PJ092963 CCEMHHW C39H52N12O10S3 944.3092 NA PeJP NA NA +PJ092964 SNNDDDEH C34H48N12O20 944.3108 NA PeJP NA NA +PJ092965 GSEEMMMM C35H60N8O14S4 944.3112 NA PeJP NA NA +PJ092966 GCCNDDRY C35H52N12O15S2 944.3117 NA PeJP NA NA +PJ092967 APCMMMMM C36H64N8O9S6 944.3121 NA PeJP NA NA +PJ092968 GSCCCMRW C36H56N12O10S4 944.3126 NA PeJP NA NA +PJ092969 GCCDHHHH C36H48N16O11S2 944.313 NA PeJP NA NA +PJ092970 CCCHFFW C44H52N10O8S3 944.3132 NA PeJP NA NA +PJ092971 DDDEEHW C39H48N10O18 944.3149 NA PeJP NA NA +PJ092972 GSSSCCDMR C32H56N12O15S3 944.3151 NA PeJP NA NA +PJ092973 SSSSCCWW C40H52N10O13S2 944.3157 NA PeJP NA NA +PJ092974 GCCNMMMR C33H60N12O10S5 944.3159 NA PeJP NA NA +PJ092975 SSSSSSCDW C36H52N10O18S 944.3182 NA PeJP NA NA +PJ092976 SSSCNMMW C37H56N10O13S3 944.3191 NA PeJP NA NA +PJ092977 SSSSSSSSDD C32H52N10O23 944.3207 NA PeJP NA NA +PJ092978 SSSSSNDMM C33H56N10O18S2 944.3216 NA PeJP NA NA +PJ092979 SDDEMYW C41H52N8O16S 944.3222 NA PeJP NA NA +PJ092980 SSNNMMMM C34H60N10O13S4 944.3224 NA PeJP NA NA +PJ092981 GGSSNMMMM C34H60N10O13S4 944.3225 NA PeJP NA NA +PJ092982 GSSSCCQHH C34H52N14O14S2 944.3229 NA PeJP NA NA +PJ092983 GGGGGGGSPCCH C34H52N14O14S2 944.323 NA PeJP NA NA +PJ092984 PCDMMYW C42H56N8O11S3 944.3231 NA PeJP NA NA +PJ092985 SSSDEEEY C37H52N8O21 944.3247 NA PeJP NA NA +PJ092986 NEEEMMY C38H56N8O16S2 944.3256 NA PeJP NA NA +PJ092987 GSNDDDHW C38H48N12O17 944.3261 NA PeJP NA NA +PJ092988 SEMMMMW C39H60N8O11S4 944.3265 NA PeJP NA NA +PJ092989 APCCNDHW C39H52N12O12S2 944.3269 NA PeJP NA NA +PJ092990 GPCCNEHW C39H52N12O12S2 944.327 NA PeJP NA NA +PJ092991 ACCCCMRR C32H60N14O9S5 944.3272 NA PeJP NA NA +PJ092992 SSTEEMMM C35H60N8O16S3 944.329 NA PeJP NA NA +PJ092993 GSSSCNNNY C35H52N12O17S 944.3294 NA PeJP NA NA +PJ092994 GGGGGSSSCNY C35H52N12O17S 944.3295 NA PeJP NA NA +PJ092995 SSPMMMMM C36H64N8O11S5 944.3298 NA PeJP NA NA +PJ092996 AAEMMMMM C36H64N8O11S5 944.3299 NA PeJP NA NA +PJ092997 SSTCCCRW C36H56N12O12S3 944.3303 NA PeJP NA NA +PJ092998 GCCQYWW C44H52N10O10S2 944.331 NA PeJP NA NA +PJ092999 SSSSSCCER C32H56N12O17S2 944.3328 NA PeJP NA NA +PJ093000 GSSCNEYW C40H52N10O15S 944.3335 NA PeJP NA NA +PJ093001 SSCCQMMR C33H60N12O12S4 944.3337 NA PeJP NA NA +PJ093002 CNNMMFW C41H56N10O10S3 944.3343 NA PeJP NA NA +PJ093003 GGGGCMMFW C41H56N10O10S3 944.3344 NA PeJP NA NA +PJ093004 GSSSSNDEY C36H52N10O20 944.336 NA PeJP NA NA +PJ093005 GSSSSTCMW C37H56N10O15S2 944.3368 NA PeJP NA NA +PJ093006 GGGGGSEMMY C37H56N10O15S2 944.3369 NA PeJP NA NA +PJ093007 PCDDFYW C45H52N8O13S 944.3375 NA PeJP NA NA +PJ093008 GSCCKMMW C38H60N10O10S4 944.3377 NA PeJP NA NA +PJ093009 GCCNQHHF C38H52N14O11S2 944.3382 NA PeJP NA NA +PJ093010 GSSSSSSSEM C33H56N10O20S 944.3393 NA PeJP NA NA +PJ093011 GSPDDEYY C41H52N8O18 944.34 NA PeJP NA NA +PJ093012 GSSSSQMMM C34H60N10O15S3 944.3402 NA PeJP NA NA +PJ093013 GCNDDEHR C34H52N14O16S 944.3407 NA PeJP NA NA +PJ093014 GEEMMYW C42H56N8O13S2 944.3409 NA PeJP NA NA +PJ093015 DMMMMMR C35H64N10O10S5 944.3411 NA PeJP NA NA +PJ093016 SCCCQKHH C35H56N14O11S3 944.3416 NA PeJP NA NA +PJ093017 PCMMMFW C43H60N8O8S4 944.3417 NA PeJP NA NA +PJ093018 PCCNHWW C43H52N12O9S2 944.3422 NA PeJP NA NA +PJ093019 GSTEEEMY C38H56N8O18S 944.3434 NA PeJP NA NA +PJ093020 GSPEMMMY C39H60N8O13S3 944.3442 NA PeJP NA NA +PJ093021 NNDEMHW C39H52N12O14S 944.3447 NA PeJP NA NA +PJ093022 SSCCCMRR C32H60N14O11S4 944.3449 NA PeJP NA NA +PJ093023 CLMMMMW C40H64N8O8S5 944.3451 NA PeJP NA NA +PJ093024 CCCQFRW C40H56N12O9S3 944.3456 NA PeJP NA NA +PJ093025 SSNNEEEH C35H52N12O19 944.3472 NA PeJP NA NA +PJ093026 ATTEMMMM C36H64N8O13S4 944.3476 NA PeJP NA NA +PJ093027 GSCNDMRY C36H56N12O14S2 944.3481 NA PeJP NA NA +PJ093028 GNNDDHHH C36H48N16O15 944.3486 NA PeJP NA NA +PJ093029 SSCNYWW C44H52N10O12S 944.3487 NA PeJP NA NA +PJ093030 QMMMMHH C37H60N12O9S4 944.3489 NA PeJP NA NA +PJ093031 GAMMMMHH C37H60N12O9S4 944.349 NA PeJP NA NA +PJ093032 GSCMHHHH C37H52N16O10S2 944.3494 NA PeJP NA NA +PJ093033 SSSSNDYW C40H52N10O17 944.3512 NA PeJP NA NA +PJ093034 GSSSSCMMR C33H60N12O14S3 944.3514 NA PeJP NA NA +PJ093035 SNNMMYW C41H56N10O12S2 944.3521 NA PeJP NA NA +PJ093036 ACCCKMMR C34H64N12O9S5 944.3523 NA PeJP NA NA +MJ098359 Pulosarioside C43H60O23 944.352538 NA MeJP NA NA +PJ093037 SSSSSSSMW C37H56N10O17S 944.3546 NA PeJP NA NA +PJ093038 SPDDYYW C45H52N8O15 944.3552 NA PeJP NA NA +PJ093039 GDEEFYW C45H52N8O15 944.3553 NA PeJP NA NA +PJ093040 SSTCCKMW C38H60N10O12S3 944.3555 NA PeJP NA NA +PJ093041 CNDDHRW C38H52N14O13S 944.3559 NA PeJP NA NA +PJ093042 GGCDDHRW C38H52N14O13S 944.356 NA PeJP NA NA +PJ093043 EMMYWW C46H56N8O10S2 944.3561 NA PeJP NA NA +PJ093044 SSSSSSSSTE C33H56N10O22 944.3571 NA PeJP NA NA +PJ093045 SSSSSTQMM C34H60N10O17S2 944.358 NA PeJP NA NA +PJ093046 SSNDDDHR C34H52N14O18 944.3584 NA PeJP NA NA +PJ093047 GGSSDDDHR C34H52N14O18 944.3585 NA PeJP NA NA +PJ093048 STEEMYW C42H56N8O15S 944.3586 NA PeJP NA NA +PJ093049 SSCQKMMM C35H64N10O12S4 944.3588 NA PeJP NA NA +PJ093050 SPCCNEHR C35H56N14O13S2 944.3593 NA PeJP NA NA +PJ093051 SPMMMYW C43H60N8O10S3 944.3595 NA PeJP NA NA +PJ093052 GNDMHWW C43H52N12O11S 944.36 NA PeJP NA NA +PJ093053 CMMMHHR C36H60N14O8S4 944.3602 NA PeJP NA NA +PJ093054 SSTTEEEY C38H56N8O20 944.3611 NA PeJP NA NA +PJ093055 DKEEMMY C39H60N8O15S2 944.362 NA PeJP NA NA +PJ093056 GSNNNNYY C39H52N12O16 944.3624 NA PeJP NA NA +PJ093057 GSSNEEHW C39H52N12O16 944.3625 NA PeJP NA NA +PJ093058 AAPMMMMY C40H64N8O10S4 944.3629 NA PeJP NA NA +PJ093059 SCCQRYW C40H56N12O11S2 944.3633 NA PeJP NA NA +PJ093060 GGGAPPCCHF C40H56N12O11S2 944.3634 NA PeJP NA NA +PJ093061 TTTTEMMM C36H64N8O15S3 944.3654 NA PeJP NA NA +PJ093062 SSSCNERY C36H56N12O16S 944.3658 NA PeJP NA NA +PJ093063 GAPPCDDDR C36H56N12O16S 944.3659 NA PeJP NA NA +PJ093064 GTLMMMMM C37H68N8O10S5 944.3662 NA PeJP NA NA +PJ093065 GNNEYYW C44H52N10O14 944.3665 NA PeJP NA NA +PJ093066 CNQMMRY C37H60N12O11S3 944.3667 NA PeJP NA NA +PJ093067 SSTCHHHH C37H52N16O12S 944.3672 NA PeJP NA NA +PJ093068 GCCKYWW C45H56N10O9S2 944.3674 NA PeJP NA NA +PJ093069 SSSSSTCMR C33H60N12O16S2 944.3692 NA PeJP NA NA +PJ093070 NNNNNNNQ C33H52N16O17 944.3697 NA PeJP NA NA +PJ093071 GSSSQMYW C41H56N10O14S 944.3698 NA PeJP NA NA +PJ093072 GGGSSTMYW C41H56N10O14S 944.3699 NA PeJP NA NA +PJ093073 SSCCKMMR C34H64N12O11S4 944.3701 NA PeJP NA NA +PJ093074 DEFYWW C49H52N8O12 944.3705 NA PeJP NA NA +PJ093075 GGGCNNMHR C34H56N16O12S2 944.3706 NA PeJP NA NA +PJ093076 CCQKMFW C42H60N10O9S3 944.3707 NA PeJP NA NA +PJ093077 PCEHHHW C42H52N14O10S 944.3712 NA PeJP NA NA +PJ093078 GSSSSTQEY C37H56N10O19 944.3723 NA PeJP NA NA +PJ093079 GGGSSSTTEY C37H56N10O19 944.3724 NA PeJP NA NA +PJ093080 SEEMMRY C38H60N10O14S2 944.3732 NA PeJP NA NA +PJ093081 SSSNNNHW C38H52N14O15 944.3737 NA PeJP NA NA +PJ093082 GPEMYYW C46H56N8O12S 944.3739 NA PeJP NA NA +PJ093083 APPMMMMH C39H64N10O9S4 944.3741 NA PeJP NA NA +PJ093084 GSPCCHRW C39H56N14O10S2 944.3746 NA PeJP NA NA +PJ093085 CQHWWW C47H52N12O8S 944.3752 NA PeJP NA NA +PJ093086 GSSSSSTTTM C34H60N10O19S 944.3757 NA PeJP NA NA +PJ093087 VNEEEYY C42H56N8O17 944.3764 NA PeJP NA NA +PJ093088 GSSSSKMMM C35H64N10O14S3 944.3766 NA PeJP NA NA +PJ093089 GSNDEMHR C35H56N14O15S 944.3771 NA PeJP NA NA +PJ093090 SVEMMYW C43H60N8O12S2 944.3772 NA PeJP NA NA +PJ093091 GAPEMMFY C43H60N8O12S2 944.3773 NA PeJP NA NA +PJ093092 ACCKKMMM C36H68N10O9S5 944.3775 NA PeJP NA NA +PJ093093 SSNEHWW C43H52N12O13 944.3777 NA PeJP NA NA +PJ093094 CCNMRRY C36H60N14O10S3 944.3779 NA PeJP NA NA +PJ093095 GGGPCMMHR C36H60N14O10S3 944.378 NA PeJP NA NA +PJ093096 GMMHHFW C44H56N12O8S2 944.3786 NA PeJP NA NA +PJ093097 SSSLEEMY C39H60N8O17S 944.3797 NA PeJP NA NA +PJ093098 PPVDEEEM C39H60N8O17S 944.3798 NA PeJP NA NA +PJ093099 LQEMMMY C40H64N8O12S3 944.3806 NA PeJP NA NA +PJ093100 GSSSCRYW C40H56N12O13S 944.3811 NA PeJP NA NA +PJ093101 NNYYWW C48H52N10O11 944.3817 NA PeJP NA NA +PJ093102 CCCKFRW C41H60N12O8S3 944.382 NA PeJP NA NA +PJ093103 CQHHHHF C41H52N16O9S 944.3824 NA PeJP NA NA +PJ093104 GSSSSSDRY C36H56N12O18 944.3836 NA PeJP NA NA +PJ093105 STTLMMMM C37H68N8O12S4 944.384 NA PeJP NA NA +PJ093106 SSVCCQRY C37H60N12O13S2 944.3844 NA PeJP NA NA +PJ093107 GSSNMMRY C37H60N12O13S2 944.3845 NA PeJP NA NA +PJ093108 DDEHHHR C37H52N16O14 944.3849 NA PeJP NA NA +PJ093109 GGGGGTEHHH C37H52N16O14 944.385 NA PeJP NA NA +PJ093110 PPNDMWW C45H56N10O11S 944.3851 NA PeJP NA NA +PJ093111 KMMMMHH C38H64N12O8S4 944.3853 NA PeJP NA NA +PJ093112 SSSSTQYW C41H56N10O16 944.3876 NA PeJP NA NA +PJ093113 GSCDDHRR C34H56N16O14S 944.3883 NA PeJP NA NA +PJ093114 SCQKMYW C42H60N10O11S2 944.3885 NA PeJP NA NA +PJ093115 NNNNHFW C42H52N14O12 944.3889 NA PeJP NA NA +MJ098360 Jaspogeranoside A; 2'',3''-Dihydro C44H64O22 944.388923 NA MeJP NA NA +PJ093116 GGNNNHFW C42H52N14O12 944.389 NA PeJP NA NA +PJ093117 PMYYWW C50H56N8O9S 944.3891 NA PeJP NA NA +PJ093118 APCCCHRR C35H60N16O9S3 944.3892 NA PeJP NA NA +PJ093119 SSSNKEMY C38H60N10O16S 944.391 NA PeJP NA NA +PJ093120 GVEEYYW C46H56N8O14 944.3916 NA PeJP NA NA +PJ093121 NQKMMMY C39H64N10O11S3 944.3918 NA PeJP NA NA +PJ093122 VDMMMRY C39H64N10O11S3 944.3919 NA PeJP NA NA +PJ093123 SNDMHRW C39H56N14O12S 944.3923 NA PeJP NA NA +PJ093124 APMMFYW C47H60N8O9S2 944.3925 NA PeJP NA NA +PJ093125 GSSHWWW C47H52N12O10 944.393 NA PeJP NA NA +PJ093126 SSSSSSTTTT C34H60N10O21 944.3935 NA PeJP NA NA +PJ093127 SSSSSTKMM C35H64N10O16S2 944.3943 NA PeJP NA NA +PJ093128 GPDDDDRR C35H56N14O17 944.3948 NA PeJP NA NA +PJ093129 GGGGGGPTDDR C35H56N14O17 944.3949 NA PeJP NA NA +PJ093130 PDKEMYY C43H60N8O14S 944.395 NA PeJP NA NA +PJ093131 SSCKKMMM C36H68N10O11S4 944.3952 NA PeJP NA NA +PJ093132 GSTCCRRY C36H60N14O12S2 944.3957 NA PeJP NA NA +PJ093133 ALMMMYW C44H64N8O9S3 944.3959 NA PeJP NA NA +PJ093134 GTQMHWW C44H56N12O10S 944.3963 NA PeJP NA NA +PJ093135 GGATMHWW C44H56N12O10S 944.3964 NA PeJP NA NA +PJ093136 TTTTTEEY C39H60N8O19 944.3975 NA PeJP NA NA +PJ093137 GTTLEMMY C40H64N8O14S2 944.3984 NA PeJP NA NA +PJ093138 GSTTQEHW C40H56N12O15 944.3988 NA PeJP NA NA +PJ093139 PNDEERW C40H56N12O15 944.3989 NA PeJP NA NA +PJ093140 AALMMMMF C41H68N8O9S4 944.3993 NA PeJP NA NA +PJ093141 SCCKRYW C41H60N12O10S2 944.3997 NA PeJP NA NA +PJ093142 SNQHHHW C41H52N16O11 944.4002 NA PeJP NA NA +PJ093143 APPCWWW C49H56N10O8S 944.4004 NA PeJP NA NA +PJ093144 SSSSQMRY C37H60N12O15S 944.4022 NA PeJP NA NA +PJ093145 GGGGGGGGPLEM C37H60N12O15S 944.4023 NA PeJP NA NA +PJ093146 APQEEWW C45H56N10O13 944.4029 NA PeJP NA NA +PJ093147 CNKMMRY C38H64N12O10S3 944.4031 NA PeJP NA NA +PJ093148 QQQMHHH C38H56N16O11S 944.4036 NA PeJP NA NA +PJ093149 PPMMHFW C46H60N10O8S2 944.4037 NA PeJP NA NA +PJ093150 NNNNNNNK C34H56N16O16 944.406 NA PeJP NA NA +PJ093151 GSSSSNNHR C34H56N16O16 944.4061 NA PeJP NA NA +PJ093152 GSSSKMYW C42H60N10O13S 944.4062 NA PeJP NA NA +PJ093153 GPPDDKMW C42H60N10O13S 944.4063 NA PeJP NA NA +PJ093154 VEYYWW C50H56N8O11 944.4069 NA PeJP NA NA +PJ093155 GGGGACCKHR C35H60N16O11S2 944.407 NA PeJP NA NA +PJ093156 CCKKMFW C43H64N10O8S3 944.4071 NA PeJP NA NA +PJ093157 GTCHRWW C43H56N14O9S 944.4076 NA PeJP NA NA +PJ093158 GSSSSTKEY C38H60N10O18 944.4087 NA PeJP NA NA +PJ093159 GPQKEEEE C38H60N10O18 944.4088 NA PeJP NA NA +PJ093160 GSTQKMMY C39H64N10O13S2 944.4096 NA PeJP NA NA +PJ093161 GSSSEHRW C39H56N14O14 944.4101 NA PeJP NA NA +PJ093162 SPVMYYW C47H60N8O11S 944.4102 NA PeJP NA NA +PJ093163 PTCLYYW C47H60N8O11S 944.4103 NA PeJP NA NA +PJ093164 VMMMMFR C40H68N10O8S4 944.4105 NA PeJP NA NA +PJ093165 ANMMHRW C40H60N14O9S2 944.4109 NA PeJP NA NA +PJ093166 GQMMHRW C40H60N14O9S2 944.411 NA PeJP NA NA +PJ093167 GSPHHHHH C40H52N18O10 944.4114 NA PeJP NA NA +PJ093168 CKHWWW C48H56N12O7S 944.4116 NA PeJP NA NA +PJ093169 VDKEEYY C43H60N8O16 944.4128 NA PeJP NA NA +PJ093170 SSSSCRRY C36H60N14O14S 944.4134 NA PeJP NA NA +PJ093171 SPPCDDRR C36H60N14O14S 944.4135 NA PeJP NA NA +PJ093172 TTLMMYW C44H64N8O11S2 944.4136 NA PeJP NA NA +PJ093173 GPDERWW C44H56N12O12 944.4141 NA PeJP NA NA +PJ093174 APCCKMHR C37H64N14O9S3 944.4143 NA PeJP NA NA +PJ093175 NNMHHHR C37H56N18O10S 944.4148 NA PeJP NA NA +PJ093176 STTTLEMY C40H64N8O16S 944.4161 NA PeJP NA NA +PJ093177 LKEMMMY C41H68N8O11S3 944.417 NA PeJP NA NA +PJ093178 GSPPDMRW C41H60N12O12S 944.4175 NA PeJP NA NA +PJ093179 AAPEWWW C49H56N10O10 944.4181 NA PeJP NA NA +PJ093180 CCDHRRR C34H60N18O10S2 944.4182 NA PeJP NA NA +PJ093181 CKHHHHF C42H56N16O8S 944.4188 NA PeJP NA NA +PJ093182 GSSSSTTRY C37H60N12O17 944.42 NA PeJP NA NA +PJ093183 GSTCKMRY C38H64N12O12S2 944.4208 NA PeJP NA NA +PJ093184 GPPQEMMR C38H64N12O12S2 944.4209 NA PeJP NA NA +PJ093185 NNNNQRW C38H56N16O13 944.4213 NA PeJP NA NA +PJ093186 GGGGGGGGGARW C38H56N16O13 944.4214 NA PeJP NA NA +PJ093187 PPTQMWW C46H60N10O10S 944.4215 NA PeJP NA NA +PJ093188 PFFYWW C54H56N8O8 944.4221 NA PeJP NA NA +PJ093189 GCMHRRW C39H60N16O8S2 944.4222 NA PeJP NA NA +PJ093190 SSSSTKYW C42H60N10O15 944.424 NA PeJP NA NA +PJ093191 GSSDMHRR C35H60N16O13S 944.4247 NA PeJP NA NA +PJ093192 SCKKMYW C43H64N10O10S2 944.4249 NA PeJP NA NA +PJ093193 SSSHRWW C43H56N14O11 944.4253 NA PeJP NA NA +MJ098361 3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-[6-Deoxy-3-O-methyl-?-L-glucopyranosyl-(1r4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside], 6-Ac C45H68O21 944.425309 NA MeJP NA NA +PJ093194 GGGEHFRW C43H56N14O11 944.4254 NA PeJP NA NA +PJ093195 LMFYWW C51H60N8O8S 944.4255 NA PeJP NA NA +PJ093196 SSSDKKMY C39H64N10O15S 944.4274 NA PeJP NA NA +PJ093197 ATLEYYW C47H60N8O13 944.428 NA PeJP NA NA +PJ093198 TLMMMRY C40H68N10O10S3 944.4282 NA PeJP NA NA +PJ093199 GGPPPKMMM C40H68N10O10S3 944.4283 NA PeJP NA NA +PJ093200 STQMHRW C40H60N14O11S 944.4287 NA PeJP NA NA +PJ093201 ALMMFFW C48H64N8O8S2 944.4289 NA PeJP NA NA +PJ093202 PDRWWW C48H56N12O9 944.4294 NA PeJP NA NA +PJ093203 GSPDEERR C36H60N14O16 944.4312 NA PeJP NA NA +PJ093204 GGGGGGGGGGVKE C36H60N14O16 944.4313 NA PeJP NA NA +PJ093205 VLQEMYY C44H64N8O13S 944.4314 NA PeJP NA NA +PJ093206 GPPCEMRR C37H64N14O11S2 944.4321 NA PeJP NA NA +PJ093207 GSSQHHHR C37H56N18O12 944.4326 NA PeJP NA NA +PJ093208 PPTCRWW C45H60N12O9S 944.4327 NA PeJP NA NA +PJ093209 SPLLEEEE C40H64N8O18 944.4339 NA PeJP NA NA +PJ093210 SSTLLMMY C41H68N8O13S2 944.4348 NA PeJP NA NA +PJ093211 PTQEERW C41H60N12O14 944.4352 NA PeJP NA NA +PJ093212 GGGGAALQEW C41H60N12O14 944.4353 NA PeJP NA NA +PJ093213 PPQMMRW C42H64N12O9S2 944.4361 NA PeJP NA NA +PJ093214 SNKHHHW C42H56N16O10 944.4366 NA PeJP NA NA +PJ093215 SSSSKMRY C38H64N12O14S 944.4386 NA PeJP NA NA +PJ093216 SPLQEWW C46H60N10O12 944.4392 NA PeJP NA NA +PJ093217 APKEEWW C46H60N10O12 944.4393 NA PeJP NA NA +PJ093218 APCKKMMH C39H68N12O9S3 944.4395 NA PeJP NA NA +PJ093219 STCHRRW C39H60N16O10S 944.4399 NA PeJP NA NA +PJ093220 GGPCNRRW C39H60N16O10S 944.44 NA PeJP NA NA +PJ093221 NHFRWW C47H56N14O8 944.4406 NA PeJP NA NA +PJ093222 SSSSEHRR C35H60N16O15 944.4424 NA PeJP NA NA +PJ093223 GGNQEERR C35H60N16O15 944.4425 NA PeJP NA NA +PJ093224 GPPTKEMW C43H64N10O12S 944.4426 NA PeJP NA NA +PJ093225 GPLFYYW C51H60N8O10 944.4433 NA PeJP NA NA +PJ093226 VVMHHHW C44H60N14O8S 944.444 NA PeJP NA NA +PJ093227 SSSSSSLKY C39H64N10O17 944.4451 NA PeJP NA NA +PJ093228 GGGAALLEEE C39H64N10O17 944.4452 NA PeJP NA NA +PJ093229 GSTKKMMY C40H68N10O12S2 944.446 NA PeJP NA NA +PJ093230 SPDERRW C40H60N14O13 944.4465 NA PeJP NA NA +PJ093231 GLLMYYW C48H64N8O10S 944.4466 NA PeJP NA NA +PJ093232 GAPLMFFY C48H64N8O10S 944.4467 NA PeJP NA NA +PJ093233 PPCMRRW C41H64N14O8S2 944.4473 NA PeJP NA NA +PJ093234 LQHHHHH C41H56N18O9 944.4478 NA PeJP NA NA +PJ093235 TLKEEYY C44H64N8O15 944.4491 NA PeJP NA NA +PJ093236 PPPTLEEY C44H64N8O15 944.4492 NA PeJP NA NA +PJ093237 PQEEMRR C37H64N14O13S 944.4498 NA PeJP NA NA +PJ093238 GAPEEMRR C37H64N14O13S 944.4499 NA PeJP NA NA +PJ093239 PLKMMYY C45H68N8O10S2 944.45 NA PeJP NA NA +PJ093240 APTERWW C45H60N12O11 944.4505 NA PeJP NA NA +PJ093241 CQKHHHR C38H60N18O9S 944.4512 NA PeJP NA NA +MJ098362 ?-Rhodomycin IV C48H68N2O17 944.451798 NA MeJP NA NA +PJ093242 PVVLEEEM C41H68N8O15S 944.4525 NA PeJP NA NA +PJ093243 NNDDRRR C34H60N18O14 944.4537 NA PeJP NA NA +PJ093244 ANKMRYY C42H64N12O11S 944.4538 NA PeJP NA NA +PJ093245 PVQEMRW C42H64N12O11S 944.4539 NA PeJP NA NA +PJ093246 GPTLWWW C50H60N10O9 944.4545 NA PeJP NA NA +PJ093247 SCMHRRR C35H64N18O9S2 944.4546 NA PeJP NA NA +PJ093248 ASTTTTLNH C38H64N12O16 944.4563 NA PeJP NA NA +PJ093249 GPTKEEER C38H64N12O16 944.4564 NA PeJP NA NA +PJ093250 GPPKEMMR C39H68N12O11S2 944.4572 NA PeJP NA NA +PJ093251 GGGAPPCKKM C39H68N12O11S2 944.4573 NA PeJP NA NA +PJ093252 GNQERRW C39H60N16O12 944.4577 NA PeJP NA NA +PJ093253 PPTKMWW C47H64N10O9S 944.4579 NA PeJP NA NA +PJ093254 LFFFWW C55H60N8O7 944.4585 NA PeJP NA NA +PJ093255 PKKEEEW C43H64N10O14 944.4604 NA PeJP NA NA +PJ093256 PDDMRRR C36H64N16O12S 944.4611 NA PeJP NA NA +PJ093257 NKKMMFF C44H68N10O9S2 944.4612 NA PeJP NA NA +PJ093258 GPPVKMMW C44H68N10O9S2 944.4613 NA PeJP NA NA +PJ093259 AAQQRWW C44H60N14O10 944.4617 NA PeJP NA NA +PJ093260 SSTTKKMY C40H68N10O14S 944.4637 NA PeJP NA NA +PJ093261 TTTLLEMH C40H68N10O14S 944.4638 NA PeJP NA NA +PJ093262 STLLYYW C48H64N8O12 944.4644 NA PeJP NA NA +PJ093263 GLLLMMMH C41H72N10O9S3 944.4646 NA PeJP NA NA +PJ093264 APEMRRW C41H64N14O10S 944.4651 NA PeJP NA NA +PJ093265 GPPFRWW C49H60N12O8 944.4658 NA PeJP NA NA +PJ093266 VQEEERR C37H64N14O15 944.4676 NA PeJP NA NA +PJ093267 VLKEMYY C45H68N8O12S 944.4678 NA PeJP NA NA +PJ093268 GPPTMMRR C38H68N14O10S2 944.4685 NA PeJP NA NA +PJ093269 PNEHHRR C38H60N18O11 944.4689 NA PeJP NA NA +PJ093270 GGPEHHRR C38H60N18O11 944.469 NA PeJP NA NA +PJ093271 GPLMRWW C46H64N12O8S 944.4691 NA PeJP NA NA +PJ093272 ALLLEEEE C41H68N8O17 944.4703 NA PeJP NA NA +PJ093273 PTKEERW C42H64N12O13 944.4716 NA PeJP NA NA +PJ093274 GGGGGGGGPLLF C42H64N12O13 944.4717 NA PeJP NA NA +PJ093275 GSPCNRRR C35H64N18O11S 944.4723 NA PeJP NA NA +PJ093276 PPKMMRW C43H68N12O8S2 944.4725 NA PeJP NA NA +PJ093277 NQRRWW C43H60N16O9 944.473 NA PeJP NA NA +PJ093278 GPVKEEMR C39H68N12O13S 944.475 NA PeJP NA NA +PJ093279 SPLKEWW C47H64N10O11 944.4756 NA PeJP NA NA +PJ093280 GAALLEWW C47H64N10O11 944.4757 NA PeJP NA NA +PJ093281 AQMHFRR C40H64N16O9S 944.4763 NA PeJP NA NA +PJ093282 AEEERRR C36H64N16O14 944.4788 NA PeJP NA NA +PJ093283 GGGGGSLERR C36H64N16O14 944.4789 NA PeJP NA NA +PJ093284 AAPLKEMW C44H68N10O11S 944.479 NA PeJP NA NA +PJ093285 GLLFFYW C52H64N8O9 944.4797 NA PeJP NA NA +PJ093286 SPVKKEEE C40H68N10O16 944.4815 NA PeJP NA NA +PJ093287 STLLLMMH C41H72N10O11S2 944.4824 NA PeJP NA NA +PJ093288 AQQKERW C41H64N14O12 944.4828 NA PeJP NA NA +PJ093289 GLEERRW C41H64N14O12 944.4829 NA PeJP NA NA +PJ093290 PLKMFFY C49H68N8O9S 944.483 NA PeJP NA NA +PJ093291 GPHHRRW C42H60N18O8 944.4842 NA PeJP NA NA +PJ093292 SSSLLLYY C45H68N8O14 944.4855 NA PeJP NA NA +PJ093293 PKEEMRR C38H68N14O12S 944.4862 NA PeJP NA NA +PJ093294 GGGGGGALLMR C38H68N14O12S 944.4863 NA PeJP NA NA +PJ093295 LLKMMFY C46H72N8O9S2 944.4864 NA PeJP NA NA +PJ093296 GVLERWW C46H64N12O10 944.4869 NA PeJP NA NA +PJ093297 ACHFRRR C39H64N18O8S 944.4876 NA PeJP NA NA +PJ093298 PTLLLEEM C42H72N8O14S 944.4889 NA PeJP NA NA +PJ093299 PPLLLMMM C43H76N8O9S3 944.4898 NA PeJP NA NA +PJ093300 SNQERRR C35H64N18O13 944.4901 NA PeJP NA NA +PJ093301 PQQKKMW C43H68N12O10S 944.4902 NA PeJP NA NA +PJ093302 PVKEMRW C43H68N12O10S 944.4903 NA PeJP NA NA +PJ093303 AALLWWW C51H64N10O8 944.4909 NA PeJP NA NA +PJ093304 SSPLKEER C39H68N12O15 944.4927 NA PeJP NA NA +PJ093305 AALKEEER C39H68N12O15 944.4928 NA PeJP NA NA +PJ093306 SPPVKMMR C40H72N12O10S2 944.4936 NA PeJP NA NA +PJ093307 GNKERRW C40H64N16O11 944.4941 NA PeJP NA NA +PJ093308 PVVKMWW C48H68N10O8S 944.4943 NA PeJP NA NA +PJ093309 LLQKEEW C44H68N10O13 944.4968 NA PeJP NA NA +PJ093310 VQQQMRR C37H68N16O11S 944.4974 NA PeJP NA NA +PJ093311 PTEMRRR C37H68N16O11S 944.4975 NA PeJP NA NA +MJ098363 12-Oleanene-3,21,22,24-tetrol, 3-O-[?-D-Galactopyranoside-(1?2)-?-D-glucuronopyranoside], 21-O-?-D-xylopyranoside C47H76O19 944.49808 NA MeJP NA NA +MJ098364 12-Oleanene-3,21,22,24-tetrol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside], 22-O-?-L-arabinopyranoside C47H76O19 944.49808 NA MeJP NA NA +MJ098365 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Xylopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C47H76O19 944.49808 NA MeJP NA NA +MJ098366 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Apiofuranosyl-(1?4)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O19 944.49808 NA MeJP NA NA +MJ098367 2,3,6,23-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl] ester C47H76O19 944.49808 NA MeJP NA NA +MJ098368 3,16,23,28-Tetrahydroxy-11,13(18)-oleanadien-29-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside], 29-D-ribit-1-yl ester C47H76O19 944.49808 NA MeJP NA NA +MJ098369 3,16,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O19 944.49808 NA MeJP NA NA +MJ098370 3,19,21-Trihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O19 944.49808 NA MeJP NA NA +MJ098371 3,20,23-Trihydroxy-29-nor-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C47H76O19 944.49808 NA MeJP NA NA +MJ098372 3,20,23-Trihydroxy-30-nor-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C47H76O19 944.49808 NA MeJP NA NA +MJ098373 3,8,12,14,15-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Thevetopyranosyl-(1?4)-?-D-canaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-digitoxopyranoside] C47H76O19 944.49808 NA MeJP NA NA +MJ098374 ?-Ilexanolic acid; 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside], 28-?-D-glucopyranosyl ester C47H76O19 944.49808 NA MeJP NA NA +PJ093312 LERRWW C45H64N14O9 944.4981 NA PeJP NA NA +PJ093313 SPLLQKEM C41H72N10O13S 944.5001 NA PeJP NA NA +PJ093314 APLKKEEM C41H72N10O13S 944.5002 NA PeJP NA NA +PJ093315 PVLKYYY C49H68N8O11 944.5008 NA PeJP NA NA +PJ093316 SPLMRRW C42H68N14O9S 944.5015 NA PeJP NA NA +PJ093317 VLRWWW C50H64N12O7 944.5021 NA PeJP NA NA +PJ093318 VKEEERR C38H68N14O14 944.504 NA PeJP NA NA +PJ093319 PPVLLEMF C46H72N8O11S 944.5042 NA PeJP NA NA +PJ093320 AAPLMMRR C39H72N14O9S2 944.5049 NA PeJP NA NA +PJ093321 GSQRRRW C39H64N18O10 944.5053 NA PeJP NA NA +PJ093322 SLLLLEEE C42H72N8O16 944.5067 NA PeJP NA NA +PJ093323 PVLLLEMM C43H76N8O11S2 944.5075 NA PeJP NA NA +PJ093324 VVKEERW C43H68N12O12 944.508 NA PeJP NA NA +PJ093325 AQQMRRR C36H68N18O10S 944.5087 NA PeJP NA NA +PJ093326 NKRRWW C44H64N16O8 944.5093 NA PeJP NA NA +PJ093327 GGKRRWW C44H64N16O8 944.5094 NA PeJP NA NA +PJ093328 APTLKEMR C40H72N12O12S 944.5114 NA PeJP NA NA +PJ093329 ALLKEWW C48H68N10O10 944.512 NA PeJP NA NA +PJ093330 AKMHFRR C41H68N16O8S 944.5127 NA PeJP NA NA +MJ098375 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C51H76O16 944.513336 NA MeJP NA NA +PJ093331 SLEERRR C37H68N16O13 944.5152 NA PeJP NA NA +PJ093332 GPTLLKMW C45H72N10O10S 944.5154 NA PeJP NA NA +PJ093333 PVMMRRR C38H72N16O8S2 944.5161 NA PeJP NA NA +PJ093334 SPHHRRR C38H64N20O9 944.5166 NA PeJP NA NA +PJ093335 GLLKKEEE C41H72N10O15 944.5179 NA PeJP NA NA +PJ093336 PPTLKKMM C42H76N10O10S2 944.5188 NA PeJP NA NA +PJ093337 SVLERRW C42H68N14O11 944.5192 NA PeJP NA NA +PJ093338 GAAKKERW C42H68N14O11 944.5193 NA PeJP NA NA +PJ093339 LLKMFFF C50H72N8O8S 944.5194 NA PeJP NA NA +PJ093340 GNMRRRR C35H68N20O9S 944.5199 NA PeJP NA NA +MJ098376 Variapeptin C46H72N8O13 944.521884 NA MeJP NA NA +PJ093341 PPTLLLEY C46H72N8O13 944.5219 NA PeJP NA NA +PJ093342 LLQEMRR C39H72N14O11S 944.5226 NA PeJP NA NA +PJ093343 ATLLRWW C47H68N12O9 944.5233 NA PeJP NA NA +PJ093344 VVLLLEEM C43H76N8O13S 944.5253 NA PeJP NA NA +PJ093345 TTQQRRR C36H68N18O12 944.5264 NA PeJP NA NA +PJ093346 SNKERRR C36H68N18O12 944.5265 NA PeJP NA NA +PJ093347 VLLQMRW C44H72N12O9S 944.5266 NA PeJP NA NA +PJ093348 GTLLKEER C40H72N12O14 944.5291 NA PeJP NA NA +PJ093349 GGALDKKKE C40H72N12O14 944.5292 NA PeJP NA NA +PJ093350 GPLLKMMR C41H76N12O9S2 944.53 NA PeJP NA NA +PJ093351 GDKKRRW C41H68N16O10 944.5305 NA PeJP NA NA +PJ093352 ATTLLLQW C45H72N10O12 944.5331 NA PeJP NA NA +PJ093353 LLKKEEW C45H72N10O12 944.5332 NA PeJP NA NA +PJ093354 VQQKMRR C38H72N16O10S 944.5338 NA PeJP NA NA +PJ093355 VVEMRRR C38H72N16O10S 944.5339 NA PeJP NA NA +MJ098377 12,24:20,24-Diepoxydammarane-3,23,25-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl]-(1?3)-?-D-glucopyranoside] C48H80O18 944.534465 NA MeJP NA NA +MJ098378 12-Oleanene-3,11,16,23,28-pentol, 11-Me ether, 3-O-[?-D-xylopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C48H80O18 944.534465 NA MeJP NA NA +MJ098379 12-Oleanene-3,11,16,28-tetrol, 3-O-[?-D-Glucopyranosyl-(1?6)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C48H80O18 944.534465 NA MeJP NA NA +MJ098380 12-Oleanene-3,22,24-triol, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] C48H80O18 944.534465 NA MeJP NA NA +MJ098381 12-Oleanene-3,22,28-triol, 3-O[?-D-Galactofuranosyl(1?2)-O-[?-D-galactofuranosyl(1?4)]-?-D-mannopyranoside] C48H80O18 944.534465 NA MeJP NA NA +MJ098382 13,28-Epoxy-3,16,23-oleananetriol, 3-O-[?-D-Rhamnopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C48H80O18 944.534465 NA MeJP NA NA +MJ098383 23,25-Dammaradiene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H80O18 944.534465 NA MeJP NA NA +MJ098384 3,24,25-Trihydroxycucurbit-5-en-11-one, 3-O-[?-D-Glucopyranosyl(1?6)-?-D-glucopyranosyl(1?2)-6-deoxy-D-guloside] C48H80O18 944.534465 NA MeJP NA NA +MJ098385 3,24,25-Trihydroxycucurbit-5-en-11-one, 3-O-?-L-Rhamnopyranosyl(1?2)-?-D-glucopyranosyl, 25-O-?-D-glucopyranosyl C48H80O18 944.534465 NA MeJP NA NA +MJ098386 Cucurbita-5,24-diene-3,11,26-triol, 3-O-?-D-Glucopyranoside, 26-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C48H80O18 944.534465 NA MeJP NA NA +MJ098387 Cucurbita-5,24-diene-3,11,26-triol, 26-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 3-O-?-D-glucopyranoside C48H80O18 944.534465 NA MeJP NA NA +MJ098388 Cucurbita-5,24-diene-3,11,26-triol, 26-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], 3-O-?-D-glucopyranoside C48H80O18 944.534465 NA MeJP NA NA +MJ098389 Cucurbita-5,24-diene-3,11,26-triol, 3-O-?-D-Glucopyranoside, 26-O-[?-D-glucopyranosyl-(1?6)-glucopyranoside] C48H80O18 944.534465 NA MeJP NA NA +MJ098390 Cucurbita-5,24-diene-3,11,26-triol, 3-O-?-D-Glucopyranoside, 26-O-sophoroside C48H80O18 944.534465 NA MeJP NA NA +MJ098391 Dammar-24-ene-3,19,20-triol, 19-Aldehyde, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H80O18 944.534465 NA MeJP NA NA +MJ098392 Pregn-6-ene-3,17,20-triol, 3-O-[6-Deoxy-3-O-methyl-?-D-galactopyranoside], 20-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-xylohexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-xylohexopyranoside] C48H80O18 944.534465 NA MeJP NA NA +C08792 Carnosifloside VI C48H80O18 944.5345 NA KEGG NA NA +PJ093356 AAKKRWW C46H68N14O8 944.5345 NA PeJP NA NA +PJ093357 SPLLKKEM C42H76N10O12S 944.5365 NA PeJP NA NA +PJ093358 VLLKFYY C50H72N8O10 944.5372 NA PeJP NA NA +PJ093359 SSQRRRR C35H68N20O11 944.5377 NA PeJP NA NA +PJ093360 ALLMRRW C43H72N14O8S 944.5379 NA PeJP NA NA +HMDB09927 PIP(16:0/20:1(11Z)) C45H86O16P2 944.539124 NA HMDB2010 NA NA +HMDB09949 PIP(18:0/18:1(11Z)) C45H86O16P2 944.539124 NA HMDB2010 NA NA +HMDB09950 PIP(18:0/18:1(9Z)) C45H86O16P2 944.539124 NA HMDB2010 NA NA +HMDB09960 PIP(18:1(11Z)/18:0) C45H86O16P2 944.539124 NA HMDB2010 NA NA +HMDB09972 PIP(18:1(9Z)/18:0) C45H86O16P2 944.539124 NA HMDB2010 NA NA +HMDB09998 PIP(20:1(11Z)/16:0) C45H86O16P2 944.539124 NA HMDB2010 NA NA +MJ098393 Cephalostatin 13; 1'-Deoxy C54H76N2O12 944.539825 NA MeJP NA NA +PJ093361 GTTLLERR C39H72N14O13 944.5404 NA PeJP NA NA +PJ093362 PPVLLLMY C47H76N8O10S 944.5406 NA PeJP NA NA +PJ093363 GSKRRRW C40H68N18O9 944.5417 NA PeJP NA NA +PJ093364 TLLKERW C44H72N12O11 944.5444 NA PeJP NA NA +PJ093365 AQKMRRR C37H72N18O9S 944.5451 NA PeJP NA NA +PJ093366 GVLLKEMR C41H76N12O11S 944.5478 NA PeJP NA NA +PJ093367 SLLLKWW C49H72N10O9 944.5484 NA PeJP NA NA +PJ093368 TQKKERR C38H72N16O12 944.5516 NA PeJP NA NA +PJ093369 AALLLKMW C46H76N10O9S 944.5518 NA PeJP NA NA +PJ093370 ALHHRRR C39H68N20O8 944.5529 NA PeJP NA NA +PJ093371 SVLLKKEE C42H76N10O14 944.5543 NA PeJP NA NA +PJ093372 PVVLKKMM C43H80N10O9S2 944.5552 NA PeJP NA NA +PJ093373 TTLLRRW C43H72N14O10 944.5556 NA PeJP NA NA +PJ093374 ACKRRRR C36H72N20O8S 944.5563 NA PeJP NA NA +PJ093375 PVVLLLEY C47H76N8O12 944.5583 NA PeJP NA NA +PJ093376 LLKEMRR C40H76N14O10S 944.559 NA PeJP NA NA +PJ093377 AVKKKWW C48H72N12O8 944.5596 NA PeJP NA NA +PJ093378 GLKKKWW C48H72N12O8 944.5597 NA PeJP NA NA +PJ093379 TLLLLLEM C44H80N8O12S 944.5617 NA PeJP NA NA +PJ093380 SDKKRRR C37H72N18O11 944.5628 NA PeJP NA NA +PJ093381 VLLKMRW C45H76N12O8S 944.563 NA PeJP NA NA +PJ093382 SSLLLKER C41H76N12O13 944.5655 NA PeJP NA NA +PJ093383 ATKKRRW C42H72N16O9 944.5669 NA PeJP NA NA +PJ093384 ATTLLLKW C46H76N10O11 944.5695 NA PeJP NA NA +MJ098394 Antibiotic LI-F; Antibiotic LI-F07B C46H76N10O11 944.569503 NA MeJP NA NA +PJ093385 GAAPLLLKY C46H76N10O11 944.5696 NA PeJP NA NA +PJ093386 TLLMRRR C39H76N16O9S 944.5702 NA PeJP NA NA +MJ098395 Antibiotic A 204A C49H84O17 944.570851 NA MeJP NA NA +MJ098396 Martinomycin C49H84O17 944.570851 NA MeJP NA NA +MJ098397 Septamycin; 27S-Methoxy C49H84O17 944.570851 NA MeJP NA NA +PJ093387 ALLLKKEM C43H80N10O11S 944.5729 NA PeJP NA NA +PJ093388 PPVLLLFF C51H76N8O9 944.5736 NA PeJP NA NA +PJ093389 SSKRRRR C36H72N20O10 944.5741 NA PeJP NA NA +PJ093390 SSTLLLRR C40H76N14O12 944.5768 NA PeJP NA NA +PJ093391 PVLLLLMF C48H80N8O9S 944.5769 NA PeJP NA NA +PJ093392 VLKHHRR C41H72N18O8 944.5781 NA PeJP NA NA +MJ098398 7,8-Dihydroisoxuxuarine E? C60H80O9 944.580234 NA MeJP NA NA +PJ093393 VLLLLLMM C45H84N8O9S2 944.5803 NA PeJP NA NA +PJ093394 VKKKKEW C45H76N12O10 944.5808 NA PeJP NA NA +PJ093395 AKKMRRR C38H76N18O8S 944.5815 NA PeJP NA NA +MJ098399 Antibiotic SF 2748; Antibiotic SF 2748C1 C48H84N2O16 944.582084 NA MeJP NA NA +PJ093396 ATLLLKMR C42H80N12O10S 944.5842 NA PeJP NA NA +PJ093397 TKKKERR C39H76N16O11 944.588 NA PeJP NA NA +PJ093398 TTLLLKKE C43H80N10O13 944.5907 NA PeJP NA NA +PJ093399 SLKKKRW C44H76N14O9 944.592 NA PeJP NA NA +PJ093400 PTLLLLLY C48H80N8O11 944.5947 NA PeJP NA NA +PJ093401 AALKKKMR C41H80N14O9S 944.5954 NA PeJP NA NA +PJ093402 TTKKRRR C38H76N18O10 944.5992 NA PeJP NA NA +PJ093403 TTTLLLKR C42H80N12O12 944.6019 NA PeJP NA NA +PJ093404 VVLFRRR C43H76N16O8 944.6032 NA PeJP NA NA +PJ093405 APLLLKKY C47H80N10O10 944.6059 NA PeJP NA NA +PJ093406 VKKKMRR C40H80N16O8S 944.6066 NA PeJP NA NA +PJ093407 SLLLLKKM C44H84N10O10S 944.6093 NA PeJP NA NA +PJ093408 ATTLKKKR C41H80N14O11 944.6131 NA PeJP NA NA +PJ093409 GGATKKKKK C41H80N14O11 944.6132 NA PeJP NA NA +PJ093410 GVLLLKFR C46H80N12O9 944.6172 NA PeJP NA NA +PJ093411 GLLKKKKM C43H84N12O9S 944.6205 NA PeJP NA NA +PJ093412 LLLKFRR C45H80N14O8 944.6284 NA PeJP NA NA +PJ093413 VVLLLLLY C49H84N8O10 944.6311 NA PeJP NA NA +PJ093414 STLLKKKK C43H84N12O11 944.6383 NA PeJP NA NA +PJ093415 ALLLLKKF C48H84N10O9 944.6423 NA PeJP NA NA +MJ098400 1,2-Di-O-acylglycerols; Glycerol 2-(9Z,12Z-octadecadienoate) 1-octadecanoate, 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] C51H92O15 944.643622 NA MeJP NA NA +PJ093416 GTKKKKKK C42H84N14O10 944.6495 NA PeJP NA NA +HMDB05400 TG(18:0/20:0/20:1(11Z))[iso6] C61H116O6 944.877197 NA HMDB2010 NA NA +HMDB05449 TG(18:1(9Z)/20:0/20:0)[iso3] C61H116O6 944.877197 NA HMDB2010 NA NA +HMDB05400 TG(18:0/20:0/20:1(11Z))[iso6] C61H116O6 944.8772 http://www.hmdb.ca/metabolites/HMDB05400 HMDB NA NA +HMDB05449 TG(18:1(9Z)/20:0/20:0)[iso3] C61H116O6 944.8772 http://www.hmdb.ca/metabolites/HMDB05449 HMDB NA NA +HMDB05400 TG(18:0/20:0/20:1(11Z))[iso6] C61H116O6 944.8772 HMDB05400 PFEM_hmdb_metabocards_official NA NA +HMDB05449 TG(18:1(9Z)/20:0/20:0)[iso3] C61H116O6 944.8772 HMDB05449 PFEM_hmdb_metabocards_official NA NA +PJ093417 CCCCCCCCC C27H47N9O10S9 945.0933 NA PeJP NA NA +MJ098401 Racophorus Pentapteridinyl skin pigment C35H15N25O10 945.143371 NA MeJP NA NA +PJ093418 GCCCCCCDH C30H47N11O12S6 945.173 NA PeJP NA NA +FL7AAGGL0025 Dimalonylawobanin C42H41O25 945.19369 128508-49-6 knapsack NA NA +PJ093419 PPCCCCCCD C32H51N9O12S6 945.1982 NA PeJP NA NA +PJ093420 GCCCCNNDD C30H47N11O16S4 945.2086 NA PeJP NA NA +PJ093421 GSCCCCCMH C31H51N11O11S6 945.2094 NA PeJP NA NA +MetaCyc04338 3-(4-methylpent-3-en-1-yl)-pent-2-enedioyl-CoA [] C32H50N7O18P3S1 945.214588 NA metacyc NA NA +PJ093422 GSCCCDDDE C31H47N9O19S3 945.2151 NA PeJP NA NA +PJ093423 APCCCCCDE C32H51N9O14S5 945.2159 NA PeJP NA NA +PJ093424 GPCCCCDDM C32H51N9O14S5 945.216 NA PeJP NA NA +PJ093425 SSTCCCCCH C31H51N11O13S5 945.2272 NA PeJP NA NA +PJ093426 SCCCDDDW C35H47N9O16S3 945.2303 NA PeJP NA NA +PJ093427 PCCCCCEW C36H51N9O11S5 945.2312 NA PeJP NA NA +PJ093428 SSSCCDDDD C31H47N9O21S2 945.2328 NA PeJP NA NA +PJ093429 CCNDDDMM C32H51N9O16S4 945.2337 NA PeJP NA NA +PJ093430 SPPCCCCCM C33H55N9O11S6 945.2346 NA PeJP NA NA +PJ093431 CCCCCQHF C35H51N11O10S5 945.2424 NA PeJP NA NA +PJ093432 CCCCDDER C31H51N11O15S4 945.2449 NA PeJP NA NA +PJ093433 GGGGGSCCCDM C31H51N11O15S4 945.245 NA PeJP NA NA +PJ093434 CCNDDDDF C35H47N9O18S2 945.2481 NA PeJP NA NA +PJ093435 GCCCDEMW C36H51N9O13S4 945.249 NA PeJP NA NA +MJ098402 cis,cis-3,6-Dodecadienoyl-CoA C33H54N7O17P3S 945.250973 NA MeJP NA NA +HMDB03952 cis,cis-3,6-Dodecadienoyl-CoA C33H54N7O17P3S 945.250977 NA HMDB2010 NA NA +HMDB11123 trans,cis-Lauro-2,6-dienoyl-CoA C33H54N7O17P3S 945.250977 NA HMDB2010 NA NA +C05279 trans,cis-Lauro-2,6-dienoyl-CoA C33H54N7O17P3S 945.251 NA KEGG NA NA +C05280 cis,cis-3,6-Dodecadienoyl-CoA C33H54N7O17P3S 945.251 NA KEGG NA NA +PJ093436 GSSCCDDEM C32H51N9O18S3 945.2515 NA PeJP NA NA +PJ093437 GSPCCCDMM C33H55N9O13S5 945.2523 NA PeJP NA NA +PJ093438 CCCNDDHH C33H47N13O14S3 945.2528 NA PeJP NA NA +PJ093439 SCCCCNQW C35H51N11O12S4 945.2602 NA PeJP NA NA +PJ093440 SSSCCCNNE C31H51N11O17S3 945.2627 NA PeJP NA NA +PJ093441 CCCNNQMM C32H55N11O12S5 945.2636 NA PeJP NA NA +PJ093442 CCCDMWW C40H51N9O10S4 945.2642 NA PeJP NA NA +PJ093443 SCNDDDDY C35H47N9O20S 945.2658 NA PeJP NA NA +PJ093444 GGSCDDDDY C35H47N9O20S 945.2659 NA PeJP NA NA +PJ093445 SSCCDDMW C36H51N9O15S3 945.2667 NA PeJP NA NA +PJ093446 PTCCCCMW C37H55N9O10S5 945.2676 NA PeJP NA NA +PJ093447 SSSSCDDDM C32H51N9O20S2 945.2692 NA PeJP NA NA +PJ093448 SCNDDMMM C33H55N9O15S4 945.2701 NA PeJP NA NA +PJ093449 CCCEYYY C41H51N7O13S3 945.2707 NA PeJP NA NA +PJ093450 PCCCQMMM C34H59N9O10S6 945.271 NA PeJP NA NA +PJ093451 GSPCCCCHH C34H51N13O11S4 945.2714 NA PeJP NA NA +PJ093452 CCCCNNMR C31H55N13O11S5 945.2748 NA PeJP NA NA +PJ093453 GSSSCCCNW C35H51N11O14S3 945.2779 NA PeJP NA NA +PJ093454 GGGSSSCCCW C35H51N11O14S3 945.278 NA PeJP NA NA +PJ093455 CCCCCKHF C36H55N11O9S5 945.2788 NA PeJP NA NA +PJ093456 GSSSSSCCND C31H51N11O19S2 945.2804 NA PeJP NA NA +PJ093457 GGGSSSSSCCD C31H51N11O19S2 945.2805 NA PeJP NA NA +PJ093458 SCCCDEMR C32H55N11O14S4 945.2813 NA PeJP NA NA +PJ093459 GPCCCDYW C40H51N9O12S3 945.282 NA PeJP NA NA +PJ093460 PCCCCMMR C33H59N11O9S6 945.2822 NA PeJP NA NA +PJ093461 GCNDDEMY C36H51N9O17S2 945.2845 NA PeJP NA NA +PJ093462 GSCCEMMW C37H55N9O12S4 945.2853 NA PeJP NA NA +PJ093463 GGPCCCEMF C37H55N9O12S4 945.2854 NA PeJP NA NA +PJ093464 GSSSCDEMM C33H55N9O17S3 945.2878 NA PeJP NA NA +PJ093465 CNNNDDDH C33H47N13O18S 945.2883 NA PeJP NA NA +PJ093466 GCNEMMMM C34H59N9O12S5 945.2887 NA PeJP NA NA +PJ093467 SCCNDMHH C34H51N13O13S3 945.2892 NA PeJP NA NA +PJ093468 ASSCCCCNR C31H55N13O13S4 945.2925 NA PeJP NA NA +PJ093469 GSSCCCCQR C31H55N13O13S4 945.2926 NA PeJP NA NA +PJ093470 GCCCNNFW C39H51N11O11S3 945.2932 NA PeJP NA NA +PJ093471 SNDDDDEH C34H47N11O21 945.2948 NA PeJP NA NA +PJ093472 GGSDDDDEH C34H47N11O21 945.2949 NA PeJP NA NA +PJ093473 GCCDDDRY C35H51N11O16S2 945.2957 NA PeJP NA NA +PJ093474 SCCCCNKW C36H55N11O11S4 945.2966 NA PeJP NA NA +PJ093475 SSSSCCNQM C32H55N11O16S3 945.2991 NA PeJP NA NA +PJ093476 CNDDMYW C40H51N9O14S2 945.2997 NA PeJP NA NA +PJ093477 CCCNNKMM C33H59N11O11S5 945.2999 NA PeJP NA NA +PJ093478 GCCDMMMR C33H59N11O11S5 945.3 NA PeJP NA NA +PJ093479 SCCMMWW C41H55N9O9S4 945.3006 NA PeJP NA NA +PJ093480 SSNDDDMY C36H51N9O19S 945.3022 NA PeJP NA NA +PJ093481 SSSCDMMW C37H55N9O14S3 945.3031 NA PeJP NA NA +PJ093482 CNMMMMW C38H59N9O9S5 945.304 NA PeJP NA NA +PJ093483 GTCCCHHW C38H51N13O10S3 945.3044 NA PeJP NA NA +MJ098403 Perdeacylhypoglaunine; 2,6-Dibenzoyl, 1,8,9,14-tetra-Ac C48H51NO19 945.305528 NA MeJP NA NA +PJ093484 SSSSSDDMM C33H55N9O19S2 945.3056 NA PeJP NA NA +PJ093485 SSNDMMMM C34H59N9O14S4 945.3065 NA PeJP NA NA +PJ093486 GSSSCCEHH C34H51N13O15S2 945.3069 NA PeJP NA NA +PJ093487 GGGSPCCNDH C34H51N13O15S2 945.307 NA PeJP NA NA +PJ093488 TCCMYYY C42H55N7O12S3 945.3071 NA PeJP NA NA +PJ093489 PCCCKMMM C35H63N9O9S6 945.3073 NA PeJP NA NA +PJ093490 GCCQMMHH C35H55N13O10S4 945.3078 NA PeJP NA NA +PJ093491 DEEEMMY C38H55N7O17S2 945.3096 NA PeJP NA NA +PJ093492 GSDDDDHW C38H47N11O18 945.3101 NA PeJP NA NA +PJ093493 SSSSCCCNR C31H55N13O15S3 945.3103 NA PeJP NA NA +PJ093494 GSCCNNYW C39H51N11O13S2 945.311 NA PeJP NA NA +PJ093495 CCCCCQKR C32H59N13O10S5 945.3112 NA PeJP NA NA +PJ093496 GSSSCNNDY C35H51N11O18S 945.3135 NA PeJP NA NA +PJ093497 SPCCCDRY C36H55N11O13S3 945.3143 NA PeJP NA NA +PJ093498 GGGGGGGCMMY C36H55N11O13S3 945.3144 NA PeJP NA NA +PJ093499 GCCEYWW C44H51N9O11S2 945.315 NA PeJP NA NA +PJ093500 GSSSSSSCNM C32H55N11O18S2 945.3168 NA PeJP NA NA +PJ093501 GSSCDEYW C40H51N9O16S 945.3175 NA PeJP NA NA +PJ093502 SSCCEMMR C33H59N11O13S4 945.3177 NA PeJP NA NA +PJ093503 CCNNNNQH C33H51N15O14S2 945.3182 NA PeJP NA NA +PJ093504 CNDMMFW C41H55N9O11S3 945.3183 NA PeJP NA NA +PJ093505 GSPCCMYW C41H55N9O11S3 945.3184 NA PeJP NA NA +PJ093506 GCCCMHHR C34H55N15O9S4 945.3191 NA PeJP NA NA +PJ093507 GSSSSDDEY C36H51N9O21 945.32 NA PeJP NA NA +PJ093508 GSNDEMMY C37H55N9O16S2 945.3209 NA PeJP NA NA +PJ093509 GCDYYYY C45H51N7O14S 945.3215 NA PeJP NA NA +PJ093510 GSTCMMMW C38H59N9O11S4 945.3217 NA PeJP NA NA +PJ093511 SSSCCHHW C38H51N13O12S2 945.3222 NA PeJP NA NA +PJ093512 DDEEEFY C41H51N7O19 945.324 NA PeJP NA NA +PJ093513 GSSSSEMMM C34H59N9O16S3 945.3242 NA PeJP NA NA +PJ093514 GCDDDEHR C34H51N13O17S 945.3247 NA PeJP NA NA +PJ093515 GSQMMMMM C35H63N9O11S5 945.3251 NA PeJP NA NA +PJ093516 GCCCNQRY C35H55N13O12S3 945.3256 NA PeJP NA NA +PJ093517 PCCDHWW C43H51N11O10S2 945.3262 NA PeJP NA NA +MJ098404 Triptonine A C45H55NO21 945.326657 NA MeJP NA NA +PJ093518 EEEMMMF C39H59N7O14S3 945.3283 NA PeJP NA NA +PJ093519 NDDEMHW C39H51N11O15S 945.3287 NA PeJP NA NA +PJ093520 GSSCCCCKR C32H59N13O12S4 945.3289 NA PeJP NA NA +PJ093521 CCCEFRW C40H55N11O10S3 945.3296 NA PeJP NA NA +PJ093522 CCYWWW C48H51N9O8S2 945.3302 NA PeJP NA NA +PJ093523 SSNDEEEH C35H51N11O20 945.3312 NA PeJP NA NA +PJ093524 GGGGGGPDDEE C35H51N11O20 945.3313 NA PeJP NA NA +PJ093525 GSCDDMRY C36H55N11O15S2 945.3321 NA PeJP NA NA +PJ093526 GNDDDHHH C36H47N15O16 945.3326 NA PeJP NA NA +PJ093527 SSCDYWW C44H51N9O13S 945.3327 NA PeJP NA NA +PJ093528 GGCDDFFW C44H51N9O13S 945.3328 NA PeJP NA NA +PJ093529 APCCCMRY C37H59N11O10S4 945.333 NA PeJP NA NA +PJ093530 ACCMFWW C45H55N9O8S3 945.3336 NA PeJP NA NA +PJ093531 SSSSSSSSCQ C32H55N11O20S 945.3346 NA PeJP NA NA +PJ093532 SSSSDDYW C40H51N9O18 945.3352 NA PeJP NA NA +PJ093533 SPPDDDDW C40H51N9O18 945.3353 NA PeJP NA NA +PJ093534 SSSSCCNKM C33H59N11O15S3 945.3355 NA PeJP NA NA +PJ093535 GSSCNNNNH C33H51N15O16S 945.3359 NA PeJP NA NA +PJ093536 GGGGGGGSSCNH C33H51N15O16S 945.336 NA PeJP NA NA +PJ093537 SNDMMYW C41H55N9O13S2 945.3361 NA PeJP NA NA +PJ093538 GSCMMMMR C34H63N11O10S5 945.3363 NA PeJP NA NA +PJ093539 STCCCHHR C34H55N15O11S3 945.3368 NA PeJP NA NA +PJ093540 CMMMHFF C42H59N9O8S4 945.337 NA PeJP NA NA +PJ093541 CCNHHFW C42H51N13O9S2 945.3374 NA PeJP NA NA +PJ093542 GGCCHHFW C42H51N13O9S2 945.3375 NA PeJP NA NA +PJ093543 SSSNEEMY C37H55N9O18S 945.3386 NA PeJP NA NA +PJ093544 SSSSMMMW C38H59N9O13S3 945.3395 NA PeJP NA NA +PJ093545 CDDDHRW C38H51N13O14S 945.34 NA PeJP NA NA +PJ093546 GCMFYYY C46H55N7O11S2 945.3401 NA PeJP NA NA +PJ093547 SSSSSTEMM C34H59N9O18S2 945.342 NA PeJP NA NA +PJ093548 SSDDDDHR C34H51N13O19 945.3425 NA PeJP NA NA +PJ093549 PDEEMYY C42H55N7O16S 945.3426 NA PeJP NA NA +PJ093550 SSTQMMMM C35H63N9O13S4 945.3428 NA PeJP NA NA +PJ093551 GGSTTMMMM C35H63N9O13S4 945.3429 NA PeJP NA NA +PJ093552 SSCCNNRY C35H55N13O14S2 945.3433 NA PeJP NA NA +PJ093553 GGGGGGGEMMH C35H55N13O14S2 945.3434 NA PeJP NA NA +PJ093554 GDDMHWW C43H51N11O12S 945.344 NA PeJP NA NA +PJ093555 PPCCCMHR C36H59N13O9S4 945.3442 NA PeJP NA NA +PJ093556 GSSDEEHW C39H51N11O17 945.3465 NA PeJP NA NA +PJ093557 SCCERYW C40H55N11O12S2 945.3473 NA PeJP NA NA +PJ093558 GSPCEMHW C40H55N11O12S2 945.3474 NA PeJP NA NA +PJ093559 CCCCCKKR C33H63N13O9S5 945.3476 NA PeJP NA NA +PJ093560 SSSCDERY C36H55N11O17S 945.3498 NA PeJP NA NA +PJ093561 GGGGGSSSSMY C36H55N11O17S 945.3499 NA PeJP NA NA +PJ093562 GNDEYYW C44H51N9O15 945.3505 NA PeJP NA NA +PJ093563 CNEMMRY C37H59N11O12S3 945.3507 NA PeJP NA NA +PJ093564 SPCNDHHH C37H51N15O13S 945.3512 NA PeJP NA NA +PJ093565 GTCMYWW C45H55N9O10S2 945.3514 NA PeJP NA NA +PJ093566 GSSSSSSSSSS C32H55N11O22 945.3523 NA PeJP NA NA +PJ093567 GSSSSSTCCK C33H59N11O17S2 945.3532 NA PeJP NA NA +PJ093568 NNNNNNNE C33H51N15O18 945.3537 NA PeJP NA NA +PJ093569 GSSSEMYW C41H55N9O15S 945.3539 NA PeJP NA NA +PJ093570 SSTCMMMR C34H63N11O12S4 945.3541 NA PeJP NA NA +PJ093571 GCNNDMHR C34H55N15O13S2 945.3546 NA PeJP NA NA +PJ093572 GQMMMYW C42H59N9O10S3 945.3547 NA PeJP NA NA +PJ093573 GGGPCMMFF C42H59N9O10S3 945.3548 NA PeJP NA NA +PJ093574 SCNNHWW C42H51N13O11S 945.3552 NA PeJP NA NA +PJ093575 GSSSSTEEY C37H55N9O20 945.3564 NA PeJP NA NA +PJ093576 GSTQEMMY C38H59N9O15S2 945.3572 NA PeJP NA NA +PJ093577 GSPPPDDMM C38H59N9O15S2 945.3573 NA PeJP NA NA +PJ093578 SSSNNDHW C38H51N13O16 945.3577 NA PeJP NA NA +PJ093579 GSMYYYY C46H55N7O13S 945.3579 NA PeJP NA NA +PJ093580 APCCKMMY C39H63N9O10S4 945.3581 NA PeJP NA NA +PJ093581 NNNMMHW C39H55N13O11S2 945.3586 NA PeJP NA NA +PJ093582 CEHWWW C47H51N11O9S 945.3592 NA PeJP NA NA +PJ093583 VDEEEYY C42H55N7O18 945.3604 NA PeJP NA NA +PJ093584 GSSTTTMMM C35H63N9O15S3 945.3606 NA PeJP NA NA +PJ093585 GSDDEMHR C35H55N13O16S 945.3611 NA PeJP NA NA +PJ093586 PEEMMFY C43H59N7O13S2 945.3613 NA PeJP NA NA +PJ093587 GSKMMMMM C36H67N9O10S5 945.3615 NA PeJP NA NA +PJ093588 SSDEHWW C43H51N11O14 945.3617 NA PeJP NA NA +PJ093589 GGGGPDDWW C43H51N11O14 945.3618 NA PeJP NA NA +PJ093590 CCDMRRY C36H59N13O11S3 945.362 NA PeJP NA NA +PJ093591 GCNNQHHH C36H51N17O12S 945.3624 NA PeJP NA NA +PJ093592 GGGGGGACHHH C36H51N17O12S 945.3625 NA PeJP NA NA +PJ093593 SPCMHWW C44H55N11O9S2 945.3626 NA PeJP NA NA +PJ093594 LEEMMMY C40H63N7O13S3 945.3646 NA PeJP NA NA +PJ093595 SQEEMHW C40H55N11O14S 945.3651 NA PeJP NA NA +PJ093596 NDYYWW C48H51N9O12 945.3657 NA PeJP NA NA +PJ093597 GGDYYWW C48H51N9O12 945.3658 NA PeJP NA NA +PJ093598 GCMMRYW C41H59N11O9S3 945.366 NA PeJP NA NA +PJ093599 CEHHHHF C41H51N15O10S 945.3664 NA PeJP NA NA +MJ098405 Alterobactin B C36H55N11O19 945.367568 NA MeJP NA NA +PJ093600 SSSSSSNQY C36H55N11O19 945.3676 NA PeJP NA NA +PJ093601 GSSDMMRY C37H59N11O14S2 945.3685 NA PeJP NA NA +PJ093602 GNNNNNNW C37H51N15O15 945.3689 NA PeJP NA NA +PJ093603 GGGGGNNNNW C37H51N15O15 945.369 NA PeJP NA NA +PJ093604 SSSMYWW C45H55N9O12S 945.3691 NA PeJP NA NA +PJ093605 CQMMMFR C38H63N11O9S4 945.3693 NA PeJP NA NA +PJ093606 GACMMMFR C38H63N11O9S4 945.3694 NA PeJP NA NA +PJ093607 CCNQHRW C38H55N15O10S2 945.3698 NA PeJP NA NA +PJ093608 SSSSSSSSCK C33H59N11O19S 945.371 NA PeJP NA NA +PJ093609 SSSSTEYW C41H55N9O17 945.3716 NA PeJP NA NA +PJ093610 SSSTCCCKK C34H63N11O14S3 945.3718 NA PeJP NA NA +PJ093611 SSCNNEHR C34H55N15O15S 945.3723 NA PeJP NA NA +PJ093612 GGGGGGGGPCDR C34H55N15O15S 945.3724 NA PeJP NA NA +PJ093613 STQMMYW C42H59N9O12S2 945.3725 NA PeJP NA NA +PJ093614 CCCCKKKM C35H67N11O9S5 945.3727 NA PeJP NA NA +PJ093615 NNNDHFW C42H51N13O13 945.373 NA PeJP NA NA +PJ093616 GCFFFYY C50H55N7O10S 945.3731 NA PeJP NA NA +PJ093617 SSSDKEMY C38H59N9O17S 945.375 NA PeJP NA NA +PJ093618 SSTYYYY C46H55N7O15 945.3756 NA PeJP NA NA +PJ093619 PDEEFFY C46H55N7O15 945.3757 NA PeJP NA NA +PJ093620 NKEMMMY C39H63N9O12S3 945.3759 NA PeJP NA NA +PJ093621 SDDMHRW C39H55N13O13S 945.3763 NA PeJP NA NA +PJ093622 GGGGGSTMHW C39H55N13O13S 945.3764 NA PeJP NA NA +PJ093623 SSSTTTTMM C35H63N9O17S2 945.3783 NA PeJP NA NA +PJ093624 STTTTTTCM C35H63N9O17S2 945.3784 NA PeJP NA NA +PJ093625 SSSDEEHR C35H55N13O18 945.3788 NA PeJP NA NA +PJ093626 GGSPNDDER C35H55N13O18 945.3789 NA PeJP NA NA +PJ093627 VEEEMFY C43H59N7O15S 945.379 NA PeJP NA NA +PJ093628 SSTKMMMM C36H67N9O12S4 945.3792 NA PeJP NA NA +PJ093629 NEEMMHR C36H59N13O13S2 945.3797 NA PeJP NA NA +PJ093630 SSNNNHHH C36H51N17O14 945.3802 NA PeJP NA NA +PJ093631 GTEMHWW C44H55N11O11S 945.3804 NA PeJP NA NA +PJ093632 CCMMFRR C37H63N13O8S4 945.3806 NA PeJP NA NA +PJ093633 GPCCHHHR C37H55N17O9S2 945.3811 NA PeJP NA NA +PJ093634 GSSNQQYY C40H55N11O16 945.3828 NA PeJP NA NA +PJ093635 PDDEERW C40H55N11O16 945.3829 NA PeJP NA NA +PJ093636 STCMRYW C41H59N11O11S2 945.3837 NA PeJP NA NA +PJ093637 GGGGGPPMMW C41H59N11O11S2 945.3838 NA PeJP NA NA +PJ093638 SNEHHHW C41H51N15O12 945.3842 NA PeJP NA NA +PJ093639 NMFYWW C49H55N9O9S 945.3844 NA PeJP NA NA +PJ093640 SSSSEMRY C37H59N11O16S 945.3862 NA PeJP NA NA +PJ093641 GGGGGGPVEEM C37H59N11O16S 945.3863 NA PeJP NA NA +PJ093642 APEEEWW C45H55N9O14 945.3869 NA PeJP NA NA +PJ093643 SQMMMRY C38H63N11O11S3 945.3871 NA PeJP NA NA +PJ093644 GSSCNHRW C38H55N15O12S 945.3876 NA PeJP NA NA +PJ093645 VCNMFFW C46H59N9O9S2 945.3877 NA PeJP NA NA +PJ093646 PCCKFYW C46H59N9O9S2 945.3878 NA PeJP NA NA +PJ093647 GSSSSNDHR C34H55N15O17 945.3901 NA PeJP NA NA +PJ093648 GSTTTMYW C42H59N9O14S 945.3902 NA PeJP NA NA +PJ093649 GPPTEEMW C42H59N9O14S 945.3903 NA PeJP NA NA +PJ093650 QFYYYY C50H55N7O12 945.3909 NA PeJP NA NA +PJ093651 GGGSNMMHR C35H59N15O12S2 945.391 NA PeJP NA NA +PJ093652 GKMMMYW C43H63N9O9S3 945.3911 NA PeJP NA NA +PJ093653 NNMHHFF C43H55N13O10S 945.3916 NA PeJP NA NA +PJ093654 SSSSSSLEY C38H59N9O19 945.3927 NA PeJP NA NA +PJ093655 GPKEEEEE C38H59N9O19 945.3928 NA PeJP NA NA +PJ093656 GSTKEMMY C39H63N9O14S2 945.3936 NA PeJP NA NA +PJ093657 GSPNDDRW C39H55N13O15 945.3941 NA PeJP NA NA +PJ093658 PPEMFYY C47H59N7O12S 945.3943 NA PeJP NA NA +PJ093659 QKMMMMF C40H67N9O9S4 945.3945 NA PeJP NA NA +PJ093660 GEMMHRW C40H59N13O10S2 945.395 NA PeJP NA NA +PJ093661 TMHWWW C48H55N11O8S 945.3956 NA PeJP NA NA +PJ093662 TLEEEYY C43H59N7O17 945.3968 NA PeJP NA NA +PJ093663 GSTEEMHR C36H59N13O15S 945.3975 NA PeJP NA NA +PJ093664 PLEMMYY C44H63N7O12S2 945.3976 NA PeJP NA NA +PJ093665 STTEHWW C44H55N11O13 945.3981 NA PeJP NA NA +PJ093666 SCMMRRY C37H63N13O10S3 945.3983 NA PeJP NA NA +PJ093667 GAPCCCKKH C37H63N13O10S3 945.3984 NA PeJP NA NA +PJ093668 NDMHHHR C37H55N17O11S 945.3988 NA PeJP NA NA +PJ093669 GVMMHWW C45H59N11O8S2 945.399 NA PeJP NA NA +PJ093670 GSHHHWW C45H51N15O9 945.3995 NA PeJP NA NA +PJ093671 SNNNNNNR C33H55N17O16 945.4013 NA PeJP NA NA +PJ093672 GGGGGGGGGGGGSR C33H55N17O16 945.4014 NA PeJP NA NA +PJ093673 SKEEMHW C41H59N11O13S 945.4015 NA PeJP NA NA +PJ093674 TQYYWW C49H55N9O11 945.4021 NA PeJP NA NA +PJ093675 GGGEFFFW C49H55N9O11 945.4022 NA PeJP NA NA +PJ093676 LMMMHHF C42H63N11O8S3 945.4024 NA PeJP NA NA +PJ093677 AQMHHHW C42H55N15O9S 945.4028 NA PeJP NA NA +PJ093678 SSSSSSNKY C37H59N11O18 945.404 NA PeJP NA NA +PJ093679 ASSTMMRY C38H63N11O13S2 945.4048 NA PeJP NA NA +PJ093680 GSTTMMRY C38H63N11O13S2 945.4049 NA PeJP NA NA +PJ093681 NNNNERW C38H55N15O14 945.4053 NA PeJP NA NA +PJ093682 GGGGGGNERW C38H55N15O14 945.4054 NA PeJP NA NA +PJ093683 PPTEMWW C46H59N9O11S 945.4055 NA PeJP NA NA +PJ093684 CKMMMFR C39H67N11O8S4 945.4057 NA PeJP NA NA +PJ093685 CCNKHRW C39H59N15O9S2 945.4062 NA PeJP NA NA +PJ093686 NQHHHHH C39H51N19O10 945.4067 NA PeJP NA NA +PJ093687 SSTTTTYW C42H59N9O16 945.408 NA PeJP NA NA +PJ093688 GPCNDERR C35H59N15O14S 945.4087 NA PeJP NA NA +PJ093689 STKMMYW C43H63N9O11S2 945.4089 NA PeJP NA NA +PJ093690 GNQQQWW C43H55N13O12 945.4093 NA PeJP NA NA +PJ093691 GGGQQQWW C43H55N13O12 945.4094 NA PeJP NA NA +PJ093692 MMHRWW C44H59N13O7S2 945.4102 NA PeJP NA NA +PJ093693 SSTTKEMY C39H63N9O16S 945.4114 NA PeJP NA NA +PJ093694 PVEEFYY C47H59N7O14 945.412 NA PeJP NA NA +PJ093695 DKKMMMY C40H67N9O11S3 945.4122 NA PeJP NA NA +PJ093696 AATKMMMY C40H67N9O11S3 945.4123 NA PeJP NA NA +PJ093697 STEMHRW C40H59N13O12S 945.4127 NA PeJP NA NA +PJ093698 GGGGGGAPCKW C40H59N13O12S 945.4128 NA PeJP NA NA +PJ093699 GSPQWWW C48H55N11O10 945.4134 NA PeJP NA NA +PJ093700 ACHHHRW C41H55N17O8S 945.4141 NA PeJP NA NA +PJ093701 SSTTEEHR C36H59N13O17 945.4152 NA PeJP NA NA +PJ093702 GGGGGVEEER C36H59N13O17 945.4153 NA PeJP NA NA +PJ093703 VLEEMYY C44H63N7O14S 945.4154 NA PeJP NA NA +PJ093704 DKEMMHR C37H63N13O12S2 945.4161 NA PeJP NA NA +PJ093705 GSSEHHHR C37H55N17O13 945.4166 NA PeJP NA NA +PJ093706 SSLMHWW C45H59N11O10S 945.4167 NA PeJP NA NA +PJ093707 GAAPQMWW C45H59N11O10S 945.4168 NA PeJP NA NA +PJ093708 NFFFWW C53H55N9O8 945.4174 NA PeJP NA NA +PJ093709 SSSTLEHW C41H59N11O15 945.4192 NA PeJP NA NA +PJ093710 PTEEERW C41H59N11O15 945.4193 NA PeJP NA NA +PJ093711 SSSCNHRR C34H59N17O13S 945.4199 NA PeJP NA NA +PJ093712 PPEMMRW C42H63N11O10S2 945.4201 NA PeJP NA NA +PJ093713 GNNNRWW C42H55N15O11 945.4206 NA PeJP NA NA +PJ093714 AMHFFFF C50H59N9O8S 945.4208 NA PeJP NA NA +PJ093715 SSTTTMRY C38H63N11O15S 945.4226 NA PeJP NA NA +PJ093716 SPLEEWW C46H59N9O13 945.4233 NA PeJP NA NA +PJ093717 SKMMMRY C39H67N11O10S3 945.4235 NA PeJP NA NA +PJ093718 NNQMHFR C39H59N15O11S 945.4239 NA PeJP NA NA +PJ093719 PCNDRRW C39H59N15O11S 945.424 NA PeJP NA NA +PJ093720 PPVMMWW C47H63N9O8S2 945.4241 NA PeJP NA NA +PJ093721 DHFRWW C47H55N13O9 945.4246 NA PeJP NA NA +PJ093722 ASSSSSQHR C35H59N15O16 945.4264 NA PeJP NA NA +PJ093723 NNEEERR C35H59N15O16 945.4265 NA PeJP NA NA +PJ093724 SSPPLEMW C43H63N9O13S 945.4266 NA PeJP NA NA +PJ093725 AAPLEEMW C43H63N9O13S 945.4267 NA PeJP NA NA +PJ093726 KFYYYY C51H59N7O11 945.4273 NA PeJP NA NA +PJ093727 GPNMRWW C44H59N13O9S 945.428 NA PeJP NA NA +PJ093728 SSSSTTTLY C39H63N9O18 945.4291 NA PeJP NA NA +PJ093729 SPVKEEEE C39H63N9O18 945.4292 NA PeJP NA NA +PJ093730 SSSLKMMY C40H67N9O13S2 945.43 NA PeJP NA NA +PJ093731 AQQEERW C40H59N13O14 945.4305 NA PeJP NA NA +PJ093732 PPLMYYY C48H63N7O11S 945.4307 NA PeJP NA NA +PJ093733 KKMMMMF C41H71N9O8S4 945.4309 NA PeJP NA NA +PJ093734 SVMMHRW C41H63N13O9S2 945.4313 NA PeJP NA NA +PJ093735 TCLMHRW C41H63N13O9S2 945.4314 NA PeJP NA NA +PJ093736 SSHHHRW C41H55N17O10 945.4318 NA PeJP NA NA +PJ093737 SSSLEMHR C37H63N13O14S 945.4338 NA PeJP NA NA +PJ093738 PEEEMRR C37H63N13O14S 945.4339 NA PeJP NA NA +PJ093739 LLEMMFY C45H67N7O11S2 945.434 NA PeJP NA NA +PJ093740 SPNKEWW C45H59N11O12 945.4345 NA PeJP NA NA +PJ093741 LQMMMHR C38H67N13O9S3 945.4347 NA PeJP NA NA +PJ093742 CNNHFRR C38H59N17O10S 945.4352 NA PeJP NA NA +MJ098406 Bifloratoxin C48H67NO18 945.435814 NA MeJP NA NA +PJ093743 NDDDRRR C34H59N17O15 945.4377 NA PeJP NA NA +PJ093744 PVEEMRW C42H63N11O12S 945.4379 NA PeJP NA NA +PJ093745 TKYYWW C50H59N9O10 945.4385 NA PeJP NA NA +PJ093746 GSCCKHRR C35H63N17O10S2 945.4386 NA PeJP NA NA +PJ093747 AKMHHHW C43H59N15O8S 945.4392 NA PeJP NA NA +PJ093748 AALEEEER C38H63N11O17 945.4404 NA PeJP NA NA +PJ093749 SSCCKKKY C39H67N11O12S2 945.4412 NA PeJP NA NA +PJ093750 SPPVEMMR C39H67N11O12S2 945.4413 NA PeJP NA NA +PJ093751 GNEERRW C39H59N15O13 945.4417 NA PeJP NA NA +PJ093752 GGGGGGGGAPFR C39H59N15O13 945.4418 NA PeJP NA NA +PJ093753 PVVEMWW C47H63N9O10S 945.4419 NA PeJP NA NA +PJ093754 PCMHFRR C40H63N15O8S2 945.4426 NA PeJP NA NA +PJ093755 NKHHHHH C40H55N19O9 945.4431 NA PeJP NA NA +PJ093756 LLQEEEW C43H63N9O15 945.4444 NA PeJP NA NA +PJ093757 GSPNEMRR C36H63N15O13S 945.4451 NA PeJP NA NA +PJ093758 APPTLMMW C44H67N9O10S2 945.4453 NA PeJP NA NA +PJ093759 AAQERWW C44H59N13O11 945.4457 NA PeJP NA NA +PJ093760 GGGVERWW C44H59N13O11 945.4458 NA PeJP NA NA +PJ093761 CLMMHRR C37H67N15O8S3 945.446 NA PeJP NA NA +PJ093762 TCHHHRR C37H59N19O9S 945.4464 NA PeJP NA NA +PJ093763 TTTTTKMY C40H67N9O15S 945.4478 NA PeJP NA NA +PJ093764 PVLEYYY C48H63N7O13 945.4484 NA PeJP NA NA +PJ093765 PPVLQMMM C41H71N9O10S3 945.4486 NA PeJP NA NA +PJ093766 GGPPLLMMM C41H71N9O10S3 945.4487 NA PeJP NA NA +PJ093767 PNDKMRW C41H63N13O11S 945.4491 NA PeJP NA NA +PJ093768 GSPKWWW C49H59N11O9 945.4498 NA PeJP NA NA +PJ093769 VEEEERR C37H63N13O16 945.4516 NA PeJP NA NA +PJ093770 GTTLMMHR C38H67N13O11S2 945.4525 NA PeJP NA NA +PJ093771 SNNNRRW C38H59N17O12 945.4529 NA PeJP NA NA +PJ093772 GGSNNRRW C38H59N17O12 945.453 NA PeJP NA NA +PJ093773 APQKMWW C46H63N11O9S 945.4531 NA PeJP NA NA +PJ093774 VVEEERW C42H63N11O14 945.4556 NA PeJP NA NA +PJ093775 GGAALDKEW C42H63N11O14 945.4557 NA PeJP NA NA +PJ093776 GSPCDRRR C35H63N17O12S 945.4563 NA PeJP NA NA +PJ093777 GGGGGGAAMRR C35H63N17O12S 945.4564 NA PeJP NA NA +PJ093778 TLKMMHW C43H67N11O9S2 945.4565 NA PeJP NA NA +PJ093779 NERRWW C43H59N15O10 945.457 NA PeJP NA NA +PJ093780 APTLEEMR C39H67N11O14S 945.459 NA PeJP NA NA +PJ093781 SSLKYYW C47H63N9O12 945.4596 NA PeJP NA NA +PJ093782 ALLEEWW C47H63N9O12 945.4597 NA PeJP NA NA +PJ093783 APPLMMMR C40H71N11O9S3 945.4599 NA PeJP NA NA +PJ093784 SPNMRRW C40H63N15O10S 945.4603 NA PeJP NA NA +PJ093785 GGSPMRRW C40H63N15O10S 945.4604 NA PeJP NA NA +PJ093786 VNRWWW C48H59N13O8 945.461 NA PeJP NA NA +PJ093787 NDKEERR C36H63N15O15 945.4628 NA PeJP NA NA +PJ093788 GGDKEERR C36H63N15O15 945.4629 NA PeJP NA NA +PJ093789 GPTLLEMW C44H67N9O12S 945.463 NA PeJP NA NA +PJ093790 PPLFFYY C52H63N7O10 945.4637 NA PeJP NA NA +PJ093791 APCKRWW C45H63N13O8S 945.4644 NA PeJP NA NA +PJ093792 GLLKEEEE C40H67N9O17 945.4655 NA PeJP NA NA +PJ093793 PPTLKEMM C41H71N9O12S2 945.4664 NA PeJP NA NA +PJ093794 AQKEERW C41H63N13O13 945.4669 NA PeJP NA NA +PJ093795 PLLMFYY C49H67N7O10S 945.467 NA PeJP NA NA +PJ093796 LLEMFFF C49H67N7O10S 945.4671 NA PeJP NA NA +PJ093797 CNNQRRR C34H63N19O11S 945.4676 NA PeJP NA NA +PJ093798 PKMMHFR C42H67N13O8S2 945.4677 NA PeJP NA NA +PJ093799 VNHHHFR C42H59N17O9 945.4682 NA PeJP NA NA +PJ093800 STTTLMHR C38H67N13O13S 945.4702 NA PeJP NA NA +PJ093801 GGAPTKEMR C38H67N13O13S 945.4703 NA PeJP NA NA +PJ093802 LLLMMYY C46H71N7O10S2 945.4704 NA PeJP NA NA +PJ093803 GLQKEWW C46H63N11O11 945.4709 NA PeJP NA NA +PJ093804 LKMMMHR C39H71N13O8S3 945.4711 NA PeJP NA NA +PJ093805 TKMHHHR C39H63N17O9S 945.4716 NA PeJP NA NA +PJ093806 GRRWWW C47H59N15O7 945.4722 NA PeJP NA NA +PJ093807 SNEERRR C35H63N17O14 945.4741 NA PeJP NA NA +PJ093808 SVKMRYY C43H67N11O11S 945.4742 NA PeJP NA NA +PJ093809 PQKKEMW C43H67N11O11S 945.4743 NA PeJP NA NA +PJ093810 PPVVYWW C51H63N9O9 945.4749 NA PeJP NA NA +PJ093811 PCQMRRR C36H67N17O9S2 945.475 NA PeJP NA NA +PJ093812 VTTLQQQE C39H67N11O16 945.4767 NA PeJP NA NA +PJ093813 GTLLEEER C39H67N11O16 945.4768 NA PeJP NA NA +PJ093814 GPLLEMMR C40H71N11O11S2 945.4776 NA PeJP NA NA +PJ093815 GGGGPVLKMM C40H71N11O11S2 945.4777 NA PeJP NA NA +PJ093816 GDKERRW C40H63N15O12 945.4781 NA PeJP NA NA +PJ093817 PTLLMWW C48H67N9O9S 945.4783 NA PeJP NA NA +PJ093818 GHHHFRR C41H59N19O8 945.4795 NA PeJP NA NA +PJ093819 LLKEEEW C44H67N9O14 945.4808 NA PeJP NA NA +PJ093820 VQQEMRR C37H67N15O12S 945.4815 NA PeJP NA NA +PJ093821 GPVLLMMW C45H71N9O9S2 945.4817 NA PeJP NA NA +PJ093822 AAKERWW C45H63N13O10 945.4821 NA PeJP NA NA +PJ093823 SSPPTTLLM C41H71N9O14S 945.4841 NA PeJP NA NA +PJ093824 SPLLKEEM C41H71N9O14S 945.4842 NA PeJP NA NA +PJ093825 VLLEFYY C49H67N7O12 945.4848 NA PeJP NA NA +PJ093826 PPVLKMMM C42H75N9O9S3 945.485 NA PeJP NA NA +PJ093827 GSSNNRRR C34H63N19O13 945.4853 NA PeJP NA NA +PJ093828 PTQKMRW C42H67N13O10S 945.4855 NA PeJP NA NA +PJ093829 LQKWWW C50H63N11O8 945.4861 NA PeJP NA NA +PJ093830 GALKWWW C50H63N11O8 945.4862 NA PeJP NA NA +PJ093831 QKKEEER C38H67N13O15 945.488 NA PeJP NA NA +PJ093832 GPVQKMMR C39H71N13O10S2 945.4889 NA PeJP NA NA +PJ093833 GSERRRW C39H63N17O11 945.4893 NA PeJP NA NA +PJ093834 GGGPTKHHR C39H63N17O11 945.4894 NA PeJP NA NA +PJ093835 APKKMWW C47H67N11O8S 945.4895 NA PeJP NA NA +PJ093836 TLLEERW C43H67N11O13 945.492 NA PeJP NA NA +PJ093837 AQEMRRR C36H67N17O11S 945.4927 NA PeJP NA NA +PJ093838 PLLMMRW C44H71N11O8S2 945.4929 NA PeJP NA NA +PJ093839 DKRRWW C44H63N15O9 945.4934 NA PeJP NA NA +PJ093840 GVLLEEMR C40H71N11O13S 945.4954 NA PeJP NA NA +PJ093841 SLLLEWW C48H67N9O11 945.496 NA PeJP NA NA +MJ098407 Discobahamin B C48H67N9O11 945.496004 NA MeJP NA NA +PJ093842 AAPILEFW C48H67N9O11 945.4961 NA PeJP NA NA +PJ093843 GLQMRRW C41H67N15O9S 945.4967 NA PeJP NA NA +PJ093844 TQKEERR C37H67N15O14 945.4992 NA PeJP NA NA +PJ093845 GGGGGTKKER C37H67N15O14 945.4993 NA PeJP NA NA +PJ093846 AALLLEMW C45H71N9O11S 945.4994 NA PeJP NA NA +PJ093847 PLLFFFY C53H67N7O9 945.5001 NA PeJP NA NA +PJ093848 VNQHHRR C38H63N19O10 945.5006 NA PeJP NA NA +MJ098408 Vinfosiltine C51H72N5O10P 945.50168 NA MeJP NA NA +PJ093849 SVLLKEEE C41H71N9O16 945.5019 NA PeJP NA NA +PJ093850 PVVLKEMM C42H75N9O11S2 945.5028 NA PeJP NA NA +PJ093851 SLQKERW C42H67N13O12 945.5032 NA PeJP NA NA +PJ093852 AKKEERW C42H67N13O12 945.5033 NA PeJP NA NA +PJ093853 LLLMFFY C50H71N7O9S 945.5034 NA PeJP NA NA +PJ093854 CNNKRRR C35H67N19O10S 945.5039 NA PeJP NA NA +PJ093855 GDMRRRR C35H67N19O10S 945.504 NA PeJP NA NA +PJ093856 SRRRWW C43H63N17O8 945.5046 NA PeJP NA NA +PJ093857 LLEEMRR C39H71N13O12S 945.5066 NA PeJP NA NA +PJ093858 GGGGGGVVKKM C39H71N13O12S 945.5067 NA PeJP NA NA +PJ093859 GLKKEWW C47H67N11O10 945.5073 NA PeJP NA NA +PJ093860 AAMRRRW C40H67N17O8S 945.508 NA PeJP NA NA +PJ093861 SDKERRR C36H67N17O13 945.5105 NA PeJP NA NA +PJ093862 LLQQKMW C44H71N11O10S 945.5106 NA PeJP NA NA +PJ093863 VLLEMRW C44H71N11O10S 945.5107 NA PeJP NA NA +PJ093864 PVVLFWW C52H67N9O8 945.5113 NA PeJP NA NA +PJ093865 GQHHRRR C37H63N21O9 945.5118 NA PeJP NA NA +PJ093866 VTTILDER C40H71N11O15 945.5131 NA PeJP NA NA +PJ093867 SSLLLEER C40H71N11O15 945.5132 NA PeJP NA NA +PJ093868 SPVLLMMR C41H75N11O10S2 945.514 NA PeJP NA NA +PJ093869 ATKERRW C41H67N15O11 945.5145 NA PeJP NA NA +PJ093870 VVLLMWW C49H71N9O8S 945.5147 NA PeJP NA NA +PJ093871 ATTLLLEW C45H71N9O13 945.5172 NA PeJP NA NA +PJ093872 VQKEMRR C38H71N15O11S 945.5179 NA PeJP NA NA +PJ093873 GTLKRWW C46H67N13O9 945.5185 NA PeJP NA NA +PJ093874 SLLLLQEM C42H75N9O13S 945.5205 NA PeJP NA NA +PJ093875 ALLLKEEM C42H75N9O13S 945.5206 NA PeJP NA NA +PJ093876 VLLLYYY C50H71N7O11 945.5212 NA PeJP NA NA +PJ093877 SSERRRR C35H67N19O12 945.5217 NA PeJP NA NA +PJ093878 PTKKMRW C43H71N13O9S 945.5219 NA PeJP NA NA +PJ093879 LKKWWW C51H67N11O7 945.5225 NA PeJP NA NA +PJ093880 KKKEEER C39H71N13O14 945.5244 NA PeJP NA NA +PJ093881 GPVKKMMR C40H75N13O9S2 945.5253 NA PeJP NA NA +PJ093882 ATTRRRW C40H67N17O10 945.5257 NA PeJP NA NA +PJ093883 VKKKEEW C44H71N11O12 945.5284 NA PeJP NA NA +PJ093884 AKEMRRR C37H71N17O10S 945.5291 NA PeJP NA NA +PJ093885 ALHFFRR C45H67N15O8 945.5297 NA PeJP NA NA +PJ093886 GPKFRRW C45H67N15O8 945.5298 NA PeJP NA NA +PJ093887 ATLLLEMR C41H75N11O12S 945.5318 NA PeJP NA NA +PJ093888 AAPLLLYW C49H71N9O10 945.5324 NA PeJP NA NA +PJ093889 GLKMRRW C42H71N15O8S 945.5331 NA PeJP NA NA +PJ093890 TKKEERR C38H71N15O13 945.5356 NA PeJP NA NA +PJ093891 GTLLLLMW C46H75N9O10S 945.5358 NA PeJP NA NA +PJ093892 PKKMMRR C39H75N15O8S2 945.5365 NA PeJP NA NA +PJ093893 PPQHRRR C39H67N19O9 945.537 NA PeJP NA NA +PJ093894 TTLLLKEE C42H75N9O15 945.5383 NA PeJP NA NA +PJ093895 PTLLLKMM C43H79N9O10S2 945.5392 NA PeJP NA NA +PJ093896 SLKKERW C43H71N13O11 945.5396 NA PeJP NA NA +PJ093897 GGDKKKKW C43H71N13O11 945.5397 NA PeJP NA NA +PJ093898 ATMRRRR C36H71N19O9S 945.5403 NA PeJP NA NA +PJ093899 AALKKEMR C40H75N13O11S 945.543 NA PeJP NA NA +PJ093900 SVLKKWW C48H71N11O9 945.5437 NA PeJP NA NA +PJ093901 TTKERRR C37H71N17O12 945.5469 NA PeJP NA NA +PJ093902 LLQKKMW C45H75N11O9S 945.547 NA PeJP NA NA +PJ093903 GKHHRRR C38H67N21O8 945.5482 NA PeJP NA NA +PJ093904 TTTLLLER C41H75N11O14 945.5495 NA PeJP NA NA +PJ093905 GLLLLMMR C42H79N11O9S2 945.5504 NA PeJP NA NA +PJ093906 STLKRRW C42H71N15O10 945.5509 NA PeJP NA NA +PJ093907 STTILLLW C46H75N9O12 945.5535 NA PeJP NA NA +PJ093908 STTLLLLW C46H75N9O12 945.5536 NA PeJP NA NA +PJ093909 QQKKKMR C39H75N15O10S 945.5542 NA PeJP NA NA +PJ093910 VKKEMRR C39H75N15O10S 945.5543 NA PeJP NA NA +PJ093911 LLLKHHW C47H71N13O8 945.5549 NA PeJP NA NA +PJ093912 SLLLLKEM C43H79N9O12S 945.5569 NA PeJP NA NA +PJ093913 TTTRRRR C36H71N19O11 945.5581 NA PeJP NA NA +PJ093914 VVKKMRW C44H75N13O8S 945.5583 NA PeJP NA NA +PJ093915 ATTLKKER C40H75N13O13 945.5608 NA PeJP NA NA +PJ093916 APKRRRY C41H71N17O9 945.5621 NA PeJP NA NA +PJ093917 GTTLLKKW C45H75N11O11 945.5648 NA PeJP NA NA +PJ093918 SLKMRRR C38H75N17O9S 945.5655 NA PeJP NA NA +PJ093919 STLLLLMR C42H79N11O11S 945.5682 NA PeJP NA NA +PJ093920 AALLLLFW C50H75N9O9 945.5688 NA PeJP NA NA +PJ093921 SSSLLKRR C39H75N15O12 945.572 NA PeJP NA NA +PJ093922 PVVLLKMF C47H79N9O9S 945.5722 NA PeJP NA NA +PJ093923 GVFRRRR C40H71N19O8 945.5734 NA PeJP NA NA +PJ093924 SSSTLLLLL C43H79N9O14 945.5747 NA PeJP NA NA +PJ093925 VVLLLKMM C44H83N9O9S2 945.5756 NA PeJP NA NA +PJ093926 TQKKKKW C44H75N13O10 945.576 NA PeJP NA NA +PJ093927 GTLLKKMR C41H79N13O10S 945.5794 NA PeJP NA NA +PJ093928 VLLLFRW C49H75N11O8 945.58 NA PeJP NA NA +PJ093929 PLKKKFW C49H75N11O8 945.5801 NA PeJP NA NA +PJ093930 GSSKKKRR C38H75N17O11 945.5832 NA PeJP NA NA +PJ093931 LLKKKMW C46H79N11O8S 945.5834 NA PeJP NA NA +PJ093932 FRRRRR C39H71N21O7 945.5846 NA PeJP NA NA +PJ093933 STLLKKKE C42H79N11O13 945.5859 NA PeJP NA NA +PJ093934 PVKKRRY C43H75N15O9 945.5873 NA PeJP NA NA +PJ093935 SPLLLLKY C47H79N9O11 945.5899 NA PeJP NA NA +PJ093936 GAALLLLLY C47H79N9O11 945.59 NA PeJP NA NA +PJ093937 QKKKKMR C40H79N15O9S 945.5906 NA PeJP NA NA +PJ093938 STTILKKR C41H79N13O12 945.5971 NA PeJP NA NA +PJ093939 STTLLKKR C41H79N13O12 945.5972 NA PeJP NA NA +PJ093940 ALKFRRR C42H75N17O8 945.5985 NA PeJP NA NA +PJ093941 GVLLLLRY C46H79N11O10 945.6012 NA PeJP NA NA +PJ093942 CKKKKRR C39H79N17O8S 945.6019 NA PeJP NA NA +PJ093943 SVLLKKKM C43H83N11O10S 945.6046 NA PeJP NA NA +PJ093944 GTTKKKKR C40H79N15O11 945.6084 NA PeJP NA NA +PJ093945 TKKKKKW C45H79N13O9 945.6124 NA PeJP NA NA +PJ093946 GVKKKKKM C42H83N13O9S 945.6158 NA PeJP NA NA +PJ093947 VLKKFRR C44H79N15O8 945.6236 NA PeJP NA NA +PJ093948 ALLLLLKY C48H83N9O10 945.6263 NA PeJP NA NA +PJ093949 KKKKKMR C41H83N15O8S 945.627 NA PeJP NA NA +PJ093950 SSLKKKKK C42H83N13O11 945.6335 NA PeJP NA NA +PJ093951 GLLLKKKF C47H83N11O9 945.6376 NA PeJP NA NA +MJ098409 Primycin; Primycin A1, 18-O-Dearabinosyl C50H95N3O13 945.68649 NA MeJP NA NA +HMDB04836 Galabiosylceramide (d18:1/22:0) C52H99NO13 945.71167 http://www.hmdb.ca/metabolites/HMDB04836 HMDB NA NA +HMDB04871 Lactosylceramide (d18:1/22:0) C52H99NO13 945.71167 http://www.hmdb.ca/metabolites/HMDB04871 HMDB NA NA +HMDB04836 Galabiosylceramide (d18:1/22:0) C52H99NO13 945.71167 HMDB04836 PFEM_hmdb_metabocards_official NA NA +HMDB04871 Lactosylceramide (d18:1/22:0) C52H99NO13 945.71167 HMDB04871 PFEM_hmdb_metabocards_official NA NA +HMDB04836 Galabiosylceramide (d18:1/22:0) C52H99NO13 945.71167 NA HMDB2010 NA NA +HMDB11594 Lactosylceramide (d18:1/22:0) C52H99NO13 945.71167 NA HMDB2010 NA NA +3476 alpha amylase ligand from Hordeum vulgare IVRHLFLHVYPRVLM 946.0407 MH2+ Inhouse_peptide NA peptide +3238 bombolitin I from venom of bumble bee (Megabombus IKITTMLAKLGKVLAHVG 946.0732 MH2+ Inhouse_peptide NA peptide +PJ093952 GCCCCNDDD C30H46N10O17S4 946.1926 NA PeJP NA NA +PJ093953 CCCCCCFY C36H50N8O10S6 946.1975 NA PeJP NA NA +PJ093954 SPCCCCCND C31H50N10O14S5 946.2112 NA PeJP NA NA +PJ093955 SCCCCCYY C36H50N8O12S5 946.2152 NA PeJP NA NA +PJ093956 CCDDDDMM C32H50N8O17S4 946.2177 NA PeJP NA NA +PJ093957 GCCCCCNNQ C30H50N12O13S5 946.2224 NA PeJP NA NA +PJ093958 GGGGGGACCCCC C30H50N12O13S5 946.2225 NA PeJP NA NA +PJ093959 CCCCCEHF C35H50N10O11S5 946.2265 NA PeJP NA NA +PJ093960 GSCCCCDQE C31H50N10O16S4 946.2289 NA PeJP NA NA +PJ093961 GSCCCNDDM C31H50N10O16S4 946.229 NA PeJP NA NA +PJ093962 GPCCCCCQM C32H54N10O11S6 946.2298 NA PeJP NA NA +PJ093963 CCDDDDDF C35H46N8O19S2 946.2321 NA PeJP NA NA +PJ093964 CCCDDDHH C33H46N12O15S3 946.2368 NA PeJP NA NA +PJ093965 SSCCCCNNN C30H50N12O15S4 946.2402 NA PeJP NA NA +PJ093966 GPCCCCCCR C31H54N12O10S6 946.2411 NA PeJP NA NA +PJ093967 SCCCCNEW C35H50N10O13S4 946.2442 NA PeJP NA NA +MJ098410 Rubroside H; 2'-O-[5-Deoxy-2-O-methyl-?-D-arabinofuranosyl-(1?4)-?-D-xylopyranosyl] C42H53Cl3N2O16 946.246066 NA MeJP NA NA +PJ093968 SSSCCCNDE C31H50N10O18S3 946.2467 NA PeJP NA NA +PJ093969 CCCNNEMM C32H54N10O13S5 946.2476 NA PeJP NA NA +PJ093970 SCDDDDDY C35H46N8O21S 946.2499 NA PeJP NA NA +PJ093971 PCCCDDEY C36H50N8O16S3 946.2507 NA PeJP NA NA +PJ093972 SCDDDMMM C33H54N8O16S4 946.2541 NA PeJP NA NA +PJ093973 PCCCEMMM C34H58N8O11S6 946.255 NA PeJP NA NA +PJ093974 CCCCNDMR C31H54N12O12S5 946.2588 NA PeJP NA NA +PJ093975 GSCCCCWW C39H50N10O10S4 946.2595 NA PeJP NA NA +PJ093976 GSSSCCCDW C35H50N10O15S3 946.262 NA PeJP NA NA +PJ093977 GCCCNMMW C36H54N10O10S5 946.2628 NA PeJP NA NA +PJ093978 GSSSSSCCDD C31H50N10O20S2 946.2645 NA PeJP NA NA +PJ093979 GSSCCNDMM C32H54N10O15S4 946.2653 NA PeJP NA NA +PJ093980 GPCCCCCKM C33H58N10O10S6 946.2662 NA PeJP NA NA +PJ093981 CCCCNQHH C33H50N14O11S4 946.2667 NA PeJP NA NA +PJ093982 GCDDDEMY C36H50N8O18S2 946.2685 NA PeJP NA NA +PJ093983 PCCCDEMF C37H54N8O13S4 946.2694 NA PeJP NA NA +PJ093984 CNNDDDDH C33H46N12O19S 946.2723 NA PeJP NA NA +PJ093985 GGGGCDDDDH C33H46N12O19S 946.2724 NA PeJP NA NA +PJ093986 GCDEMMMM C34H58N8O13S5 946.2727 NA PeJP NA NA +PJ093987 CCCNNNNY C34H50N12O14S3 946.2732 NA PeJP NA NA +PJ093988 ACCCCCRW C35H54N12O9S5 946.2741 NA PeJP NA NA +MJ098411 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-(O-4-Hydroxycinnamoylrutinoside), 5-O-?-D-glucopyranoside C44H51O23(+) 946.274287 NA MeJP NA NA +MJ098412 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[(4-Hydroxy-Z-cinnamoyl)-(?4)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C44H51O23(+) 946.274287 NA MeJP NA NA +MJ098413 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside, O-4-hydroxycinnamoyl C44H51O23(+) 946.274287 NA MeJP NA NA +PJ093989 GSSCCCCER C31H54N12O14S4 946.2766 NA PeJP NA NA +PJ093990 GCCCNDFW C39H50N10O12S3 946.2772 NA PeJP NA NA +PJ093991 SDDDDDEH C34H46N10O22 946.2789 NA PeJP NA NA +PJ093992 SCCNNDEY C35H50N10O17S2 946.2797 NA PeJP NA NA +PJ093993 SSCCCQMW C36H54N10O12S4 946.2806 NA PeJP NA NA +PJ093994 SSSSCCNEM C32H54N10O17S3 946.2831 NA PeJP NA NA +PJ093995 CDDDMYW C40H50N8O15S2 946.2837 NA PeJP NA NA +PJ093996 SCCNQMMM C33H58N10O12S5 946.2839 NA PeJP NA NA +PJ093997 GGSCCQMMM C33H58N10O12S5 946.284 NA PeJP NA NA +PJ093998 GSSCCCNHH C33H50N14O13S3 946.2844 NA PeJP NA NA +PJ093999 SSDDDDMY C36H50N8O20S 946.2862 NA PeJP NA NA +PJ094000 SPCCDEMY C37H54N8O15S3 946.2871 NA PeJP NA NA +PJ094001 CDMMMMW C38H58N8O10S5 946.288 NA PeJP NA NA +PJ094002 SSDDMMMM C34H58N8O15S4 946.2905 NA PeJP NA NA +PJ094003 GSPCCNDDH C34H50N12O16S2 946.291 NA PeJP NA NA +PJ094004 PTCCMMMM C35H62N8O10S6 946.2914 NA PeJP NA NA +PJ094005 SSCCCCRW C35H54N12O11S4 946.2918 NA PeJP NA NA +PJ094006 SSSSCCCDR C31H54N12O16S3 946.2943 NA PeJP NA NA +PJ094007 GSCCNDYW C39H50N10O14S2 946.295 NA PeJP NA NA +PJ094008 SCCCNMMR C32H58N12O11S5 946.2952 NA PeJP NA NA +PJ094009 GCCCMHFF C40H54N10O9S4 946.2959 NA PeJP NA NA +PJ094010 GSSSCNDDY C35H50N10O19S 946.2975 NA PeJP NA NA +PJ094011 GSSSSCCMW C36H54N10O14S3 946.2983 NA PeJP NA NA +PJ094012 GGGCNDMMY C36H54N10O14S3 946.2984 NA PeJP NA NA +PJ094013 ACCCCKMW C37H58N10O9S5 946.2992 NA PeJP NA NA +PJ094014 GSSSSSSCDM C32H54N10O19S2 946.3008 NA PeJP NA NA +PJ094015 GPCDDDYY C40H50N8O17S 946.3015 NA PeJP NA NA +PJ094016 GSSSCNMMM C33H58N10O14S4 946.3017 NA PeJP NA NA +PJ094017 CCNNNNEH C33H50N14O15S2 946.3022 NA PeJP NA NA +PJ094018 CDDMMFW C41H54N8O12S3 946.3024 NA PeJP NA NA +PJ094019 CCCCNKHH C34H54N14O10S4 946.3031 NA PeJP NA NA +PJ094020 GSDDEMMY C37H54N8O17S2 946.3049 NA PeJP NA NA +PJ094021 GPCDMMMY C38H58N8O12S4 946.3057 NA PeJP NA NA +PJ094022 GCCDEHHF C38H50N12O13S2 946.3062 NA PeJP NA NA +PJ094023 TCCCCCRR C31H58N14O10S5 946.3064 NA PeJP NA NA +PJ094024 CCMMHHW C39H54N12O8S4 946.3071 NA PeJP NA NA +PJ094025 SNNDDDMH C34H50N12O18S 946.3087 NA PeJP NA NA +PJ094026 GSEMMMMM C35H62N8O12S5 946.3091 NA PeJP NA NA +PJ094027 GCCCNERY C35H54N12O13S3 946.3096 NA PeJP NA NA +PJ094028 ACCCHHHH C36H50N16O9S3 946.3109 NA PeJP NA NA +PJ094029 DDDEMHW C39H50N10O16S 946.3127 NA PeJP NA NA +PJ094030 GGGGGCDDFY C39H50N10O16S 946.3128 NA PeJP NA NA +PJ094031 GTTTCCCCR C32H58N12O13S4 946.3129 NA PeJP NA NA +PJ094032 GSSTCCCMR C32H58N12O13S4 946.313 NA PeJP NA NA +PJ094033 CCNQMYW C40H54N10O11S3 946.3136 NA PeJP NA NA +PJ094034 SSDDEEEH C35H50N10O21 946.3152 NA PeJP NA NA +PJ094035 GGPNDDDEE C35H50N10O21 946.3153 NA PeJP NA NA +PJ094036 SSSSSTCCW C36H54N10O16S2 946.3161 NA PeJP NA NA +PJ094037 GDDDDHHH C36H46N14O17 946.3166 NA PeJP NA NA +PJ094038 CDDDFFW C44H50N8O14S 946.3168 NA PeJP NA NA +PJ094039 SSCCCKMW C37H58N10O11S4 946.317 NA PeJP NA NA +PJ094040 GCCNNNHW C37H50N14O12S2 946.3174 NA PeJP NA NA +PJ094041 GGGCCNNHW C37H50N14O12S2 946.3175 NA PeJP NA NA +PJ094042 SSSSSSSSCE C32H54N10O21S 946.3186 NA PeJP NA NA +PJ094043 NDDEEYY C40H50N8O19 946.3193 NA PeJP NA NA +PJ094044 SSSSSCQMM C33H58N10O16S3 946.3195 NA PeJP NA NA +PJ094045 GSSCNNNDH C33H50N14O17S 946.3199 NA PeJP NA NA +PJ094046 GGGSSCNNDH C33H50N14O17S 946.32 NA PeJP NA NA +PJ094047 SDDMMYW C41H54N8O14S2 946.3201 NA PeJP NA NA +PJ094048 SCCNKMMM C34H62N10O11S5 946.3203 NA PeJP NA NA +PJ094049 GGSCCKMMM C34H62N10O11S5 946.3204 NA PeJP NA NA +PJ094050 PCCCNDHR C34H54N14O12S3 946.3208 NA PeJP NA NA +PJ094051 PPCCCMFF C42H58N8O9S4 946.321 NA PeJP NA NA +PJ094052 CCDHHFW C42H50N12O10S2 946.3215 NA PeJP NA NA +PJ094053 SSSDEEMY C37H54N8O19S 946.3226 NA PeJP NA NA +PJ094054 NEEMMMY C38H58N8O14S3 946.3235 NA PeJP NA NA +PJ094055 GSCNDEHW C38H50N12O15S 946.324 NA PeJP NA NA +PJ094056 SMMMMMW C39H62N8O9S5 946.3244 NA PeJP NA NA +PJ094057 CCCNRYW C39H54N12O10S3 946.3248 NA PeJP NA NA +PJ094058 GGGPCCMHW C39H54N12O10S3 946.3249 NA PeJP NA NA +PJ094059 GSSSNDDEH C34H50N12O20 946.3265 NA PeJP NA NA +PJ094060 SSTEMMMM C35H62N8O14S4 946.3269 NA PeJP NA NA +PJ094061 SSCCNDRY C35H54N12O15S2 946.3273 NA PeJP NA NA +PJ094062 GGGNDEMMH C35H54N12O15S2 946.3274 NA PeJP NA NA +PJ094063 AAMMMMMM C36H66N8O9S6 946.3277 NA PeJP NA NA +PJ094064 GCCCQMFR C36H58N12O10S4 946.3282 NA PeJP NA NA +PJ094065 SSCCHHHH C36H50N16O11S2 946.3287 NA PeJP NA NA +PJ094066 GPNDDDEW C39H50N10O18 946.3305 NA PeJP NA NA +PJ094067 SSSSSCCMR C32H58N12O15S3 946.3307 NA PeJP NA NA +PJ094068 GSSCNMYW C40H54N10O13S2 946.3314 NA PeJP NA NA +PJ094069 TCCCCKMR C33H62N12O10S5 946.3316 NA PeJP NA NA +PJ094070 ASSSSCNEY C36H54N10O18S 946.3338 NA PeJP NA NA +PJ094071 GSSSSNDMY C36H54N10O18S 946.3339 NA PeJP NA NA +PJ094072 GDDEYYW C44H50N8O16 946.3345 NA PeJP NA NA +PJ094073 CDEMMRY C37H58N10O13S3 946.3347 NA PeJP NA NA +PJ094074 GGGPPPCCEM C37H58N10O13S3 946.3348 NA PeJP NA NA +PJ094075 SPCDDHHH C37H50N14O14S 946.3352 NA PeJP NA NA +PJ094076 PCCEFYW C45H54N8O11S2 946.3354 NA PeJP NA NA +PJ094077 GSSSSSSSMM C33H58N10O18S2 946.3372 NA PeJP NA NA +PJ094078 NNNNNNDE C33H50N14O19 946.3377 NA PeJP NA NA +PJ094079 GGGGGGGGGGGGDE C33H50N14O19 946.3378 NA PeJP NA NA +PJ094080 GSPDDMYY C41H54N8O16S 946.3379 NA PeJP NA NA +PJ094081 GSSTCCKMM C34H62N10O13S4 946.3381 NA PeJP NA NA +PJ094082 GCNDDMHR C34H54N14O14S2 946.3386 NA PeJP NA NA +PJ094083 ADMMMYW C42H58N8O11S3 946.3387 NA PeJP NA NA +PJ094084 GEMMMYW C42H58N8O11S3 946.3388 NA PeJP NA NA +PJ094085 SCNDHWW C42H50N12O12S 946.3392 NA PeJP NA NA +PJ094086 GCCCCFRR C35H58N14O9S4 946.3395 NA PeJP NA NA +PJ094087 GPEEEEEE C37H54N8O21 946.3404 NA PeJP NA NA +PJ094088 GSTEEMMY C38H58N8O16S2 946.3413 NA PeJP NA NA +PJ094089 SSSNDDHW C38H50N12O17 946.3417 NA PeJP NA NA +PJ094090 GGGGGDDEHF C38H50N12O17 946.3418 NA PeJP NA NA +PJ094091 GSPMMMMY C39H62N8O11S4 946.3421 NA PeJP NA NA +PJ094092 NNDMMHW C39H54N12O12S2 946.3426 NA PeJP NA NA +PJ094093 SSNNEEMH C35H54N12O17S 946.3451 NA PeJP NA NA +PJ094094 ATTMMMMM C36H66N8O11S5 946.3455 NA PeJP NA NA +PJ094095 PNDDDWW C43H50N10O15 946.3458 NA PeJP NA NA +PJ094096 GSCCQMRY C36H58N12O12S3 946.346 NA PeJP NA NA +PJ094097 GCNNEHHH C36H50N16O13S 946.3464 NA PeJP NA NA +PJ094098 GGGCNEHHH C36H50N16O13S 946.3465 NA PeJP NA NA +PJ094099 CCNQFFW C44H54N10O10S2 946.3466 NA PeJP NA NA +PJ094100 SSSSCQYW C40H54N10O15S 946.3491 NA PeJP NA NA +PJ094101 DDYYWW C48H50N8O13 946.3498 NA PeJP NA NA +PJ094102 CCNKMYW C41H58N10O10S3 946.35 NA PeJP NA NA +PJ094103 SSSSSSNEY C36H54N10O20 946.3516 NA PeJP NA NA +PJ094104 SSSNQMMY C37H58N10O15S2 946.3525 NA PeJP NA NA +PJ094105 GNNNNNDW C37H50N14O16 946.353 NA PeJP NA NA +PJ094106 SPCEYYW C45H54N8O13S 946.3531 NA PeJP NA NA +PJ094107 GPCDDFFF C45H54N8O13S 946.3532 NA PeJP NA NA +PJ094108 PCCCCKKY C38H62N10O10S4 946.3534 NA PeJP NA NA +PJ094109 CCNEHRW C38H54N14O11S2 946.3538 NA PeJP NA NA +PJ094110 MMMYWW C46H58N8O8S3 946.354 NA PeJP NA NA +PJ094111 SSSSSSSSTM C33H58N10O20S 946.355 NA PeJP NA NA +PJ094112 PEEEEEW C41H54N8O18 946.3556 NA PeJP NA NA +PJ094113 PPPDDDEY C41H54N8O18 946.3557 NA PeJP NA NA +PJ094114 SSSSSCKMM C34H62N10O15S3 946.3559 NA PeJP NA NA +PJ094115 SSCNDEHR C34H54N14O16S 946.3563 NA PeJP NA NA +PJ094116 GGGGPCNDDR C34H54N14O16S 946.3564 NA PeJP NA NA +PJ094117 STEMMYW C42H58N8O13S2 946.3565 NA PeJP NA NA +PJ094118 TCCCKKMM C35H66N10O10S5 946.3567 NA PeJP NA NA +PJ094119 NNDDHFW C42H50N12O14 946.357 NA PeJP NA NA +PJ094120 GSCCCRRY C35H58N14O11S3 946.3572 NA PeJP NA NA +PJ094121 AMMMMFW C43H62N8O8S4 946.3574 NA PeJP NA NA +PJ094122 ACNMHWW C43H54N12O9S2 946.3578 NA PeJP NA NA +PJ094123 GCQMHWW C43H54N12O9S2 946.3579 NA PeJP NA NA +PJ094124 SSTTEEMY C38H58N8O18S 946.359 NA PeJP NA NA +PJ094125 DKEMMMY C39H62N8O13S3 946.3599 NA PeJP NA NA +PJ094126 CNNDRYY C39H54N12O14S 946.3603 NA PeJP NA NA +PJ094127 GSSNEMHW C39H54N12O14S 946.3604 NA PeJP NA NA +PJ094128 APCCCKHW C40H58N12O9S3 946.3612 NA PeJP NA NA +PJ094129 CNNHHHW C40H50N16O10S 946.3617 NA PeJP NA NA +MJ098414 Cerberalignan H C50H58O18 946.362315 NA MeJP NA NA +MJ098415 Cerberalignan M C50H58O18 946.362315 NA MeJP NA NA +MJ098416 Cerberalignan N C50H58O18 946.362315 NA MeJP NA NA +PJ094130 ASSSSDQEH C35H54N12O19 946.3628 NA PeJP NA NA +PJ094131 SPNDDDER C35H54N12O19 946.3629 NA PeJP NA NA +PJ094132 TTTTMMMM C36H66N8O13S4 946.3632 NA PeJP NA NA +PJ094133 SSSCNMRY C36H58N12O14S2 946.3637 NA PeJP NA NA +PJ094134 GGGGGGGPPTCM C36H58N12O14S2 946.3638 NA PeJP NA NA +PJ094135 SSNNDHHH C36H50N16O15 946.3642 NA PeJP NA NA +PJ094136 GSPPCDWW C44H54N10O12S 946.3644 NA PeJP NA NA +PJ094137 GCCCKMFR C37H62N12O9S4 946.3646 NA PeJP NA NA +PJ094138 GSSSSSSYW C40H54N10O17 946.3669 NA PeJP NA NA +PJ094139 GSTCCKYW C41H58N10O12S2 946.3677 NA PeJP NA NA +PJ094140 LDDMMHW C41H58N10O12S2 946.3678 NA PeJP NA NA +PJ094141 SDEHHHW C41H50N14O13 946.3682 NA PeJP NA NA +PJ094142 DMFYWW C49H54N8O10S 946.3684 NA PeJP NA NA +PJ094143 GCCHRWW C42H54N14O8S2 946.3691 NA PeJP NA NA +PJ094144 GSSSSTQMY C37H58N10O17S 946.3702 NA PeJP NA NA +PJ094145 ATTEEEMH C37H58N10O17S 946.3703 NA PeJP NA NA +PJ094146 GTEEYYW C45H54N8O15 946.3709 NA PeJP NA NA +PJ094147 SEMMMRY C38H62N10O12S3 946.3711 NA PeJP NA NA +PJ094148 GSSCDHRW C38H54N14O13S 946.3716 NA PeJP NA NA +PJ094149 GPMMYYW C46H58N8O10S2 946.3718 NA PeJP NA NA +PJ094150 GSSSSDDHR C34H54N14O18 946.3741 NA PeJP NA NA +PJ094151 VNEEMYY C42H58N8O15S 946.3743 NA PeJP NA NA +PJ094152 EFYYYY C50H54N6O13 946.3749 NA PeJP NA NA +PJ094153 GSNDMMHR C35H58N14O13S2 946.375 NA PeJP NA NA +PJ094154 SVMMMYW C43H62N8O10S3 946.3751 NA PeJP NA NA +PJ094155 SSNMHWW C43H54N12O11S 946.3756 NA PeJP NA NA +PJ094156 SPVEEEEE C38H58N8O20 946.3768 NA PeJP NA NA +PJ094157 SSSLEMMY C39H62N8O15S2 946.3776 NA PeJP NA NA +PJ094158 PPVDEEMM C39H62N8O15S2 946.3777 NA PeJP NA NA +PJ094159 GSPDDDRW C39H54N12O16 946.3781 NA PeJP NA NA +PJ094160 LQMMMMY C40H66N8O10S4 946.3785 NA PeJP NA NA +PJ094161 GPPCCERW C40H58N12O11S2 946.379 NA PeJP NA NA +PJ094162 GSSSSTCRY C36H58N12O16S 946.3815 NA PeJP NA NA +PJ094163 SPNEEWW C44H54N10O14 946.3821 NA PeJP NA NA +PJ094164 GGGPPDDFW C44H54N10O14 946.3822 NA PeJP NA NA +PJ094165 GSCCKMRY C37H62N12O11S3 946.3824 NA PeJP NA NA +PJ094166 DDMHHHR C37H54N16O12S 946.3828 NA PeJP NA NA +PJ094167 PPCQMWW C45H58N10O9S2 946.383 NA PeJP NA NA +PJ094168 SNNNNNDR C33H54N16O17 946.3853 NA PeJP NA NA +PJ094169 GGGGGGGGSNDR C33H54N16O17 946.3854 NA PeJP NA NA +PJ094170 SSSSCKYW C41H58N10O14S 946.3855 NA PeJP NA NA +PJ094171 TEYYWW C49H54N8O12 946.3861 NA PeJP NA NA +PJ094172 GPDFYYW C49H54N8O12 946.3862 NA PeJP NA NA +PJ094173 PCMMFRY C42H62N10O9S3 946.3864 NA PeJP NA NA +PJ094174 AEMHHHW C42H54N14O10S 946.3868 NA PeJP NA NA +PJ094175 CLDHHHW C42H54N14O10S 946.3869 NA PeJP NA NA +PJ094176 MMFFWW C50H58N8O7S2 946.387 NA PeJP NA NA +PJ094177 SSSSSSDKY C37H58N10O19 946.388 NA PeJP NA NA +PJ094178 SSSNKMMY C38H62N10O14S2 946.3889 NA PeJP NA NA +PJ094179 NNNDERW C38H54N14O15 946.3893 NA PeJP NA NA +PJ094180 GGNNDERW C38H54N14O15 946.3894 NA PeJP NA NA +PJ094181 GVEMYYW C46H58N8O12S 946.3895 NA PeJP NA NA +PJ094182 CLMMMRY C39H66N10O9S4 946.3897 NA PeJP NA NA +PJ094183 GCCKKMMF C39H66N10O9S4 946.3898 NA PeJP NA NA +PJ094184 SCQMHRW C39H58N14O10S2 946.3902 NA PeJP NA NA +PJ094185 NEHHHHH C39H50N18O11 946.3907 NA PeJP NA NA +PJ094186 ACHHFFW C47H54N12O8S 946.3909 NA PeJP NA NA +PJ094187 SKEEEYY C42H58N8O17 946.392 NA PeJP NA NA +PJ094188 GPCDDERR C35H58N14O15S 946.3927 NA PeJP NA NA +PJ094189 GGGGGGGGGGVQM C35H58N14O15S 946.3928 NA PeJP NA NA +PJ094190 PDKMMYY C43H62N8O12S2 946.3929 NA PeJP NA NA +PJ094191 GSSSTHWW C43H54N12O13 946.3934 NA PeJP NA NA +PJ094192 NQMMMHR C36H62N14O10S3 946.3936 NA PeJP NA NA +PJ094193 GSCNHHHR C36H54N18O11S 946.3941 NA PeJP NA NA +PJ094194 PPCCRWW C44H58N12O8S2 946.3942 NA PeJP NA NA +PJ094195 TTTTTEMY C39H62N8O17S 946.3954 NA PeJP NA NA +PJ094196 GTTLMMMY C40H66N8O12S3 946.3963 NA PeJP NA NA +PJ094197 PNDEMRW C40H58N12O13S 946.3967 NA PeJP NA NA +PJ094198 GGPDEMRW C40H58N12O13S 946.3968 NA PeJP NA NA +PJ094199 GSPEWWW C48H54N10O11 946.3974 NA PeJP NA NA +PJ094200 SSSSSSSRY C36H58N12O18 946.3992 NA PeJP NA NA +PJ094201 GAQEEEER C36H58N12O18 946.3993 NA PeJP NA NA +PJ094202 SSTCCKRY C37H62N12O13S2 946.4001 NA PeJP NA NA +PJ094203 GPNDDHHR C37H54N16O14 946.4006 NA PeJP NA NA +PJ094204 ACNKYYW C45H58N10O11S 946.4007 NA PeJP NA NA +PJ094205 APQEMWW C45H58N10O11S 946.4008 NA PeJP NA NA +PJ094206 DFFFWW C53H54N8O9 946.4014 NA PeJP NA NA +PJ094207 GSTTQQYY C41H58N10O16 946.4032 NA PeJP NA NA +PJ094208 VQQEEEW C41H58N10O16 946.4033 NA PeJP NA NA +PJ094209 SSSCDHRR C34H58N16O14S 946.4039 NA PeJP NA NA +PJ094210 GGGNNNQMR C34H58N16O14S 946.404 NA PeJP NA NA +PJ094211 TLEMMHW C42H62N10O11S2 946.4041 NA PeJP NA NA +PJ094212 GGGGPPPMMF C42H62N10O11S2 946.4042 NA PeJP NA NA +PJ094213 GNNDRWW C42H54N14O12 946.4046 NA PeJP NA NA +PJ094214 VMYYWW C50H58N8O9S 946.4048 NA PeJP NA NA +PJ094215 GHHHHHW C43H50N18O8 946.406 NA PeJP NA NA +PJ094216 GSSSSTKMY C38H62N10O16S 946.4066 NA PeJP NA NA +PJ094217 GGAPKEEEM C38H62N10O16S 946.4067 NA PeJP NA NA +PJ094218 SSLEYYW C46H58N8O14 946.4073 NA PeJP NA NA +PJ094219 GSCKKMMY C39H66N10O11S3 946.4075 NA PeJP NA NA +PJ094220 PCDDRRW C39H58N14O12S 946.408 NA PeJP NA NA +PJ094221 GLMMFYW C47H62N8O9S2 946.4082 NA PeJP NA NA +PJ094222 NQQWWW C47H54N12O10 946.4086 NA PeJP NA NA +PJ094223 NDEEERR C35H58N14O17 946.4105 NA PeJP NA NA +PJ094224 TLQEMYY C43H62N8O14S 946.4106 NA PeJP NA NA +PJ094225 VDKEMYY C43H62N8O14S 946.4107 NA PeJP NA NA +PJ094226 LYYYYY C51H58N6O12 946.4113 NA PeJP NA NA +PJ094227 PPTCCDRR C36H62N14O12S2 946.4114 NA PeJP NA NA +PJ094228 PKMMMFY C44H66N8O9S3 946.4115 NA PeJP NA NA +PJ094229 GPDMRWW C44H58N12O10S 946.412 NA PeJP NA NA +PJ094230 SPWWWW C52H54N10O8 946.4126 NA PeJP NA NA +PJ094231 GLLEEEEE C39H62N8O19 946.4132 NA PeJP NA NA +PJ094232 STTTLMMY C40H66N8O14S2 946.414 NA PeJP NA NA +PJ094233 AQEEERW C40H58N12O15 946.4145 NA PeJP NA NA +PJ094234 LKMMMMY C41H70N8O9S4 946.4149 NA PeJP NA NA +PJ094235 GCNNNNRR C33H58N18O13S 946.4152 NA PeJP NA NA +PJ094236 GPPTCMRW C41H62N12O10S2 946.4154 NA PeJP NA NA +PJ094237 NQQHHHF C41H54N16O11 946.4158 NA PeJP NA NA +PJ094238 GGGAQHHHF C41H54N16O11 946.4159 NA PeJP NA NA +PJ094239 AAPMWWW C49H58N10O8S 946.416 NA PeJP NA NA +PJ094240 GPTQEEMR C37H62N12O15S 946.4179 NA PeJP NA NA +MJ098417 Nepadutant C45H58N10O13 946.418481 NA MeJP NA NA +PJ094241 GLQEEWW C45H58N10O13 946.4185 NA PeJP NA NA +PJ094242 LEMMMHR C38H66N12O10S3 946.4187 NA PeJP NA NA +PJ094243 GGAPPMMMR C38H66N12O10S3 946.4188 NA PeJP NA NA +PJ094244 CNDHFRR C38H58N16O11S 946.4192 NA PeJP NA NA +PJ094245 PPCKMWW C46H62N10O8S2 946.4194 NA PeJP NA NA +PJ094246 GPQHHWW C46H54N14O9 946.4199 NA PeJP NA NA +PJ094247 DDDDRRR C34H58N16O16 946.4217 NA PeJP NA NA +PJ094248 PQKEEMW C42H62N10O13S 946.4219 NA PeJP NA NA +PJ094249 GPVYYYW C50H58N8O11 946.4225 NA PeJP NA NA +PJ094250 GSTCMHRR C35H62N16O11S2 946.4226 NA PeJP NA NA +PJ094251 VLMMMHW C43H66N10O8S3 946.4228 NA PeJP NA NA +PJ094252 GNMHFRW C43H58N14O9S 946.4232 NA PeJP NA NA +PJ094253 SSSSSTTKY C38H62N10O18 946.4244 NA PeJP NA NA +PJ094254 SSTCKKMY C39H66N10O13S2 946.4253 NA PeJP NA NA +PJ094255 GDEERRW C39H58N14O14 946.4257 NA PeJP NA NA +PJ094256 GGGGGATERW C39H58N14O14 946.4258 NA PeJP NA NA +PJ094257 ATLMYYW C47H62N8O11S 946.4259 NA PeJP NA NA +PJ094258 SCKMHRW C40H62N14O9S2 946.4266 NA PeJP NA NA +PJ094259 DKHHHHH C40H54N18O10 946.4271 NA PeJP NA NA +PJ094260 LLEEEEW C43H62N8O16 946.4284 NA PeJP NA NA +PJ094261 GSPDEMRR C36H62N14O14S 946.4291 NA PeJP NA NA +PJ094262 VLQMMYY C44H66N8O11S2 946.4293 NA PeJP NA NA +PJ094263 SSPERWW C44H58N12O12 946.4297 NA PeJP NA NA +PJ094264 AAEERWW C44H58N12O12 946.4298 NA PeJP NA NA +PJ094265 GPPCMMRR C37H66N14O9S3 946.43 NA PeJP NA NA +PJ094266 PPHHHHW C45H54N16O8 946.4311 NA PeJP NA NA +PJ094267 SPLLEEEM C40H66N8O16S 946.4318 NA PeJP NA NA +PJ094268 PPVLEMMM C41H70N8O11S3 946.4327 NA PeJP NA NA +PJ094269 PTQEMRW C41H62N12O12S 946.4331 NA PeJP NA NA +PJ094270 GGGGGGGVLMW C41H62N12O12S 946.4332 NA PeJP NA NA +PJ094271 LQEWWW C49H58N10O10 946.4338 NA PeJP NA NA +PJ094272 QKEEEER C37H62N12O17 946.4356 NA PeJP NA NA +PJ094273 GGGGGKKEEE C37H62N12O17 946.4357 NA PeJP NA NA +PJ094274 GPVQEMMR C38H66N12O12S2 946.4365 NA PeJP NA NA +PJ094275 SNNDRRW C38H58N16O13 946.437 NA PeJP NA NA +PJ094276 APKEMWW C46H62N10O10S 946.4371 NA PeJP NA NA +PJ094277 GGPTLMWW C46H62N10O10S 946.4372 NA PeJP NA NA +PJ094278 VFFYWW C54H58N8O8 946.4378 NA PeJP NA NA +PJ094279 SHHHHHR C39H54N20O9 946.4383 NA PeJP NA NA +PJ094280 VQKEEEW C42H62N10O15 946.4396 NA PeJP NA NA +PJ094281 LNKEEEW C42H62N10O15 946.4397 NA PeJP NA NA +PJ094282 SSSSMHRR C35H62N16O13S 946.4403 NA PeJP NA NA +PJ094283 GGGGQEMRR C35H62N16O13S 946.4404 NA PeJP NA NA +PJ094284 GPPTKMMW C43H66N10O10S2 946.4405 NA PeJP NA NA +PJ094285 DERRWW C43H58N14O11 946.441 NA PeJP NA NA +3721 NA WWPKHHG 946.441 ACE inhibitor Inhouse_peptide NA peptide +PJ094286 GLMFFFW C51H62N8O8S 946.4412 NA PeJP NA NA +PJ094287 GPKKEEEM C39H66N10O15S 946.443 NA PeJP NA NA +PJ094288 TTTLYYW C47H62N8O13 946.4437 NA PeJP NA NA +PJ094289 ATLLMMMH C40H70N10O10S3 946.4439 NA PeJP NA NA +PJ094290 AQQQMRW C40H62N14O11S 946.4443 NA PeJP NA NA +PJ094291 SPDMRRW C40H62N14O11S 946.4444 NA PeJP NA NA +PJ094292 PKMMFFF C48H66N8O8S2 946.4445 NA PeJP NA NA +PJ094293 VDRWWW C48H58N12O9 946.445 NA PeJP NA NA +PJ094294 SSSSSSLHR C36H62N14O16 946.4468 NA PeJP NA NA +PJ094295 TQEEERR C36H62N14O16 946.4469 NA PeJP NA NA +PJ094296 TLKEMYY C44H66N8O13S 946.447 NA PeJP NA NA +PJ094297 PPVVEEMF C44H66N8O13S 946.4471 NA PeJP NA NA +PJ094298 PQEMMRR C37H66N14O11S2 946.4477 NA PeJP NA NA +PJ094299 GGGGGPKMMR C37H66N14O11S2 946.4478 NA PeJP NA NA +PJ094300 LKMMMFF C45H70N8O8S3 946.4479 NA PeJP NA NA +PJ094301 NQQQHHR C37H58N18O12 946.4482 NA PeJP NA NA +PJ094302 APTMRWW C45H62N12O9S 946.4484 NA PeJP NA NA +PJ094303 ALWWWW C53H58N10O7 946.449 NA PeJP NA NA +PJ094304 SVLLEEEE C40H66N8O18 946.4496 NA PeJP NA NA +PJ094305 PVVLEEMM C41H70N8O13S2 946.4504 NA PeJP NA NA +PJ094306 AKEEERW C41H62N12O14 946.4509 NA PeJP NA NA +PJ094307 CNNERRR C34H62N18O12S 946.4516 NA PeJP NA NA +PJ094308 SKKMMHW C42H66N12O9S2 946.4517 NA PeJP NA NA +PJ094309 PVQMMRW C42H66N12O9S2 946.4518 NA PeJP NA NA +PJ094310 SPQHHRW C42H58N16O10 946.4522 NA PeJP NA NA +PJ094311 GSPPTTTMR C38H66N12O14S 946.4542 NA PeJP NA NA +PJ094312 GPTKEEMR C38H66N12O14S 946.4543 NA PeJP NA NA +PJ094313 GLKEEWW C46H62N10O12 946.4549 NA PeJP NA NA +PJ094314 GPPKMMMR C39H70N12O9S3 946.4551 NA PeJP NA NA +PJ094315 GNQMRRW C39H62N16O10S 946.4556 NA PeJP NA NA +PJ094316 ALHHHFW C47H58N14O8 946.4562 NA PeJP NA NA +PJ094317 GPKHHWW C47H58N14O8 946.4563 NA PeJP NA NA +PJ094318 SDEERRR C35H62N16O15 946.4581 NA PeJP NA NA +PJ094319 PKKEEMW C43H66N10O12S 946.4583 NA PeJP NA NA +PJ094320 GVLFYYW C51H62N8O10 946.4589 NA PeJP NA NA +PJ094321 PCEMRRR C36H66N16O10S2 946.459 NA PeJP NA NA +PJ094322 NNNHHRR C36H58N20O11 946.4594 NA PeJP NA NA +PJ094323 GGGGNHHRR C36H58N20O11 946.4595 NA PeJP NA NA +PJ094324 ACKHFRW C44H62N14O8S 946.4596 NA PeJP NA NA +PJ094325 GVKKEEEE C39H66N10O17 946.4608 NA PeJP NA NA +PJ094326 TTTLLMMH C40H70N10O12S2 946.4616 NA PeJP NA NA +PJ094327 SPPKKEMM C40H70N10O12S2 946.4617 NA PeJP NA NA +PJ094328 ATEERRW C40H62N14O13 946.4621 NA PeJP NA NA +PJ094329 GGGGGGAAPPLH C40H62N14O13 946.4622 NA PeJP NA NA +PJ094330 PVKMFYY C48H66N8O10S 946.4623 NA PeJP NA NA +PJ094331 APMMRRW C41H66N14O8S2 946.463 NA PeJP NA NA +PJ094332 SSTTLLYY C44H66N8O15 946.4648 NA PeJP NA NA +PJ094333 VQEEMRR C37H66N14O13S 946.4655 NA PeJP NA NA +PJ094334 VLKMMYY C45H70N8O10S2 946.4657 NA PeJP NA NA +PJ094335 GTLERWW C45H62N12O11 946.4661 NA PeJP NA NA +PJ094336 GGGKKEWW C45H62N12O11 946.4662 NA PeJP NA NA +PJ094337 GCNRRRW C38H62N18O9S 946.4668 NA PeJP NA NA +PJ094338 ALLLEEEM C41H70N8O15S 946.4682 NA PeJP NA NA +PJ094339 GSSNDRRR C34H62N18O14 946.4693 NA PeJP NA NA +PJ094340 PTKEMRW C42H66N12O11S 946.4695 NA PeJP NA NA +PJ094341 LKEWWW C50H62N10O9 946.4702 NA PeJP NA NA +PJ094342 KKEEEER C38H66N12O16 946.472 NA PeJP NA NA +PJ094343 GPVKEMMR C39H70N12O11S2 946.4729 NA PeJP NA NA +PJ094344 SSQQRRW C39H62N16O12 946.4733 NA PeJP NA NA +PJ094345 GGSTQRRW C39H62N16O12 946.4734 NA PeJP NA NA +PJ094346 SPLKMWW C47H66N10O9S 946.4735 NA PeJP NA NA +PJ094347 VKKEEEW C43H66N10O14 946.476 NA PeJP NA NA +PJ094348 GGGAAPLLEY C43H66N10O14 946.4761 NA PeJP NA NA +PJ094349 AEEMRRR C36H66N16O12S 946.4767 NA PeJP NA NA +PJ094350 GGGGGGACKKR C36H66N16O12S 946.4768 NA PeJP NA NA +PJ094351 AAPLKMMW C44H70N10O9S2 946.4769 NA PeJP NA NA +MJ098418 1,3,22-Trihydroxyergosta-5,24-dien-26-oic acid, 3-O-?-D-Glucopyranoside, 26-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester C46H74O20 946.477344 NA MeJP NA NA +MJ098419 3,4,22,28-Tetrahydroxy-29-norlanosta-8,24-dien-30-oic acid, 3-O-[?-D-Galactopyranosyl-(1?4)-?-L-arabinopyranosyl-(1?2)-?-D-galactopyranoside] C46H74O20 946.477344 NA MeJP NA NA +MJ098420 Pregna-5,14-diene-3,20-diol, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside], 20-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C46H74O20 946.477344 NA MeJP NA NA +PJ094352 GSQKRWW C44H62N14O10 946.4774 NA PeJP NA NA +PJ094353 SPVKKEEM C40H70N10O14S 946.4794 NA PeJP NA NA +PJ094354 PTLKYYY C48H66N8O12 946.48 NA PeJP NA NA +PJ094355 GGVLLYYY C48H66N8O12 946.4801 NA PeJP NA NA +PJ094356 PPCLKKMM C41H74N10O9S3 946.4803 NA PeJP NA NA +PJ094357 AVEMRRW C41H66N14O10S 946.4807 NA PeJP NA NA +PJ094358 GLEMRRW C41H66N14O10S 946.4808 NA PeJP NA NA +PJ094359 TLRWWW C49H62N12O8 946.4814 NA PeJP NA NA +PJ094360 ASSLEERR C37H66N14O15 946.4832 NA PeJP NA NA +PJ094361 TKEEERR C37H66N14O15 946.4833 NA PeJP NA NA +PJ094362 PPVVLEMY C45H70N8O12S 946.4834 NA PeJP NA NA +PJ094363 PKEMMRR C38H70N14O10S2 946.4841 NA PeJP NA NA +PJ094364 VNEHHRR C38H62N18O11 946.4846 NA PeJP NA NA +PJ094365 GVLMRWW C46H66N12O8S 946.4848 NA PeJP NA NA +PJ094366 TTLLLEEE C41H70N8O17 946.4859 NA PeJP NA NA +PJ094367 PTLLLEMM C42H74N8O12S2 946.4868 NA PeJP NA NA +PJ094368 SLKEERW C42H66N12O13 946.4873 NA PeJP NA NA +PJ094369 SNQMRRR C35H66N18O11S 946.488 NA PeJP NA NA +PJ094370 PVKMMRW C43H70N12O8S2 946.4881 NA PeJP NA NA +PJ094371 SPKHHRW C43H62N16O9 946.4886 NA PeJP NA NA +PJ094372 AVVDKEMR C39H70N12O13S 946.4906 NA PeJP NA NA +PJ094373 AALKEEMR C39H70N12O13S 946.4907 NA PeJP NA NA +PJ094374 SVLKEWW C47H66N10O11 946.4913 NA PeJP NA NA +PJ094375 GNKMRRW C40H66N16O9S 946.492 NA PeJP NA NA +PJ094376 PFRRWW C48H62N14O7 946.4926 NA PeJP NA NA +PJ094377 TTEERRR C36H66N16O14 946.4945 NA PeJP NA NA +PJ094378 SKKKMYY C44H70N10O11S 946.4946 NA PeJP NA NA +PJ094379 LLQKEMW C44H70N10O11S 946.4947 NA PeJP NA NA +PJ094380 PVKFFFY C52H66N8O9 946.4953 NA PeJP NA NA +PJ094381 PTMMRRR C37H70N16O9S2 946.4954 NA PeJP NA NA +PJ094382 GEHHRRR C37H62N20O10 946.4958 NA PeJP NA NA +PJ094383 LMRRWW C45H66N14O7S 946.496 NA PeJP NA NA +PJ094384 SSPTTTLLQ C40H70N10O16 946.4971 NA PeJP NA NA +PJ094385 ATLKKEEE C40H70N10O16 946.4972 NA PeJP NA NA +PJ094386 APLKKEMM C41H74N10O11S2 946.498 NA PeJP NA NA +PJ094387 GGGGVLLLMM C41H74N10O11S2 946.4981 NA PeJP NA NA +PJ094388 STLERRW C41H66N14O12 946.4985 NA PeJP NA NA +PJ094389 VLKMFFY C49H70N8O9S 946.4987 NA PeJP NA NA +PJ094390 SCNRRRR C34H66N20O10S 946.4992 NA PeJP NA NA +PJ094391 GVHHRRW C42H62N18O8 946.4999 NA PeJP NA NA +PJ094392 APLLLEEY C45H70N8O14 946.5012 NA PeJP NA NA +PJ094393 VKEEMRR C38H70N14O12S 946.5019 NA PeJP NA NA +PJ094394 PPVLLMMF C46H74N8O9S2 946.5021 NA PeJP NA NA +PJ094395 SSLLRWW C46H66N12O10 946.5025 NA PeJP NA NA +PJ094396 SLLLLEEM C42H74N8O14S 946.5046 NA PeJP NA NA +PJ094397 PVLLLMMM C43H78N8O9S3 946.5054 NA PeJP NA NA +PJ094398 GSSTQRRR C35H66N18O13 946.5057 NA PeJP NA NA +PJ094399 VVKEMRW C43H70N12O10S 946.5059 NA PeJP NA NA +PJ094400 VVLHFFW C51H66N10O8 946.5065 NA PeJP NA NA +PJ094401 APLKFWW C51H66N10O8 946.5066 NA PeJP NA NA +PJ094402 ATTLKEER C39H70N12O15 946.5084 NA PeJP NA NA +PJ094403 APTLKMMR C40H74N12O10S2 946.5093 NA PeJP NA NA +PJ094404 SSQKRRW C40H66N16O11 946.5097 NA PeJP NA NA +PJ094405 GGGGPKRRY C40H66N16O11 946.5098 NA PeJP NA NA +PJ094406 ALLKMWW C48H70N10O8S 946.5099 NA PeJP NA NA +PJ094407 HHRRRW C41H62N20O7 946.5111 NA PeJP NA NA +PJ094408 GTTLLKEW C44H70N10O13 946.5124 NA PeJP NA NA +PJ094409 SLEMRRR C37H70N16O11S 946.5131 NA PeJP NA NA +MJ098421 12-Oleanene-3,16,21,22,28-pentol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C47H78O19 946.51373 NA MeJP NA NA +MJ098422 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Xylopyranoside, 6,25-di-O-?-D-glucopyranoside C47H78O19 946.51373 NA MeJP NA NA +MJ098423 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside], 25-O-?-D-glucopyranoside C47H78O19 946.51373 NA MeJP NA NA +MJ098424 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside], 6-O-?-D-glucopyranoside C47H78O19 946.51373 NA MeJP NA NA +MJ098425 20,25-Epoxycycloartane-3,6,16,24-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside], 6-O-?-D-glucopyranoside C47H78O19 946.51373 NA MeJP NA NA +MJ098426 Furostane-3,17,22,26-tetrol, 22-Me ether, 26-Ac, 3-O-[?-L-arabinopyranosyl-(1?3)[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] C47H78O19 946.51373 NA MeJP NA NA +PJ094410 GSKKRWW C45H66N14O9 946.5138 NA PeJP NA NA +PJ094411 GLLKKEEM C41H74N10O13S 946.5158 NA PeJP NA NA +PJ094412 VVLKYYY C49H70N8O11 946.5164 NA PeJP NA NA +PJ094413 PPVVLEFF C49H70N8O11 946.5165 NA PeJP NA NA +PJ094414 SVLMRRW C42H70N14O9S 946.5171 NA PeJP NA NA +PJ094415 SSSLLERR C38H70N14O14 946.5196 NA PeJP NA NA +PJ094416 GGGGGGTTKKK C38H70N14O14 946.5197 NA PeJP NA NA +PJ094417 PPTLLLMY C46H74N8O11S 946.5198 NA PeJP NA NA +PJ094418 LLQMMRR C39H74N14O9S2 946.5205 NA PeJP NA NA +PJ094419 GQQFRRR C39H66N18O10 946.521 NA PeJP NA NA +PJ094420 VVLLLEMM C43H78N8O11S2 946.5232 NA PeJP NA NA +PJ094421 TQKKKEW C43H70N12O12 946.5236 NA PeJP NA NA +PJ094422 GTTTLLRW C43H70N12O12 946.5237 NA PeJP NA NA +PJ094423 SNKMRRR C36H70N18O10S 946.5243 NA PeJP NA NA +PJ094424 GGSKMRRR C36H70N18O10S 946.5244 NA PeJP NA NA +PJ094425 PPVHRRW C44H66N16O8 946.525 NA PeJP NA NA +PJ094426 GTLLKEMR C40H74N12O12S 946.527 NA PeJP NA NA +PJ094427 TTLLKWW C48H70N10O10 946.5277 NA PeJP NA NA +PJ094428 ACKKRRW C41H70N16O8S 946.5284 NA PeJP NA NA +MJ098427 Pregnane-3,12,14,17,20-pentol, 20-Benzoyl, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranosyl] C51H78O16 946.528986 NA MeJP NA NA +PJ094429 GSSKKERR C37H70N16O13 946.5309 NA PeJP NA NA +PJ094430 LLKKEMW C45H74N10O10S 946.5311 NA PeJP NA NA +PJ094431 VVMMRRR C38H74N16O8S2 946.5317 NA PeJP NA NA +PJ094432 SVHHRRR C38H66N20O9 946.5322 NA PeJP NA NA +PJ094433 VTTLKKEE C41H74N10O15 946.5335 NA PeJP NA NA +PJ094434 STLLKKEE C41H74N10O15 946.5336 NA PeJP NA NA +PJ094435 SPLLKKMM C42H78N10O10S2 946.5344 NA PeJP NA NA +PJ094436 SDKKKRW C42H70N14O11 946.5349 NA PeJP NA NA +PJ094437 SPLLLLEY C46H74N8O13 946.5376 NA PeJP NA NA +PJ094438 GTTLLMRR C39H74N14O11S 946.5383 NA PeJP NA NA +PJ094439 ATKKKWW C47H70N12O9 946.5389 NA PeJP NA NA +PJ094440 GSSTKRRR C36H70N18O12 946.5421 NA PeJP NA NA +PJ094441 TLLKMRW C44H74N12O9S 946.5423 NA PeJP NA NA +PJ094442 STTLLKER C40H74N12O14 946.5448 NA PeJP NA NA +PJ094443 GVLLKMMR C41H78N12O9S2 946.5457 NA PeJP NA NA +PJ094444 SSKKRRW C41H70N16O10 946.5461 NA PeJP NA NA +MJ098428 Antibiotic LI-F; Antibiotic LI-F03A C45H74N10O12 946.548767 NA MeJP NA NA +PJ094445 SSTLLLKW C45H74N10O12 946.5488 NA PeJP NA NA +PJ094446 TQKKMRR C38H74N16O10S 946.5495 NA PeJP NA NA +C08944 Ginsenoside Re C48H82O18 946.5501 NA KEGG NA NA +PJ094447 VLKKHHW C46H70N14O8 946.5501 NA PeJP NA NA +MJ098429 20,24-Epoxydammarane-3,12,23,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] C48H82O18 946.550115 NA MeJP NA NA +MJ098430 20,25-Epoxydammarane-3,12,23,24-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] C48H82O18 946.550115 NA MeJP NA NA +MJ098431 Antibiotic K 41 C48H82O18 946.550115 NA MeJP NA NA +MJ098432 Dammar-24-ene-2,3,12,20-tetrol, 3-O-?-D-Glucopyranoside, 20-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C48H82O18 946.550115 NA MeJP NA NA +MJ098433 Dammar-24-ene-3,12,20-triol, 3-O-?-D-Glucopyranoside, 20-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C48H82O18 946.550115 NA MeJP NA NA +MJ098434 Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H82O18 946.550115 NA MeJP NA NA +MJ098435 Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H82O18 946.550115 NA MeJP NA NA +MJ098436 Dammar-24-ene-3,19,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H82O18 946.550115 NA MeJP NA NA +MJ098437 Dammar-24-ene-3,6,12,20-tetrol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H82O18 946.550115 NA MeJP NA NA +MJ098438 Dammarane-3,12,20,24,25-pentol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside], 12-ketone C48H82O18 946.550115 NA MeJP NA NA +PJ094448 GLLFRRW C46H70N14O8 946.5502 NA PeJP NA NA +PJ094449 SVLLKKEM C42H78N10O12S 946.5522 NA PeJP NA NA +PJ094450 PPVVLLFY C50H74N8O10 946.5528 NA PeJP NA NA +PJ094451 AKKKMRW C43H74N14O8S 946.5535 NA PeJP NA NA +PJ094452 STTTLLRR C39H74N14O13 946.556 NA PeJP NA NA +PJ094453 PVVLLLMY C47H78N8O10S 946.5562 NA PeJP NA NA +PJ094454 LLKMMRR C40H78N14O8S2 946.5569 NA PeJP NA NA +PJ094455 GQKFRRR C40H70N18O9 946.5574 NA PeJP NA NA +PJ094456 TLLLLLMM C44H82N8O10S2 946.5596 NA PeJP NA NA +PJ094457 TKKKKEW C44H74N12O11 946.56 NA PeJP NA NA +PJ094458 GGGVLLLRY C44H74N12O11 946.5601 NA PeJP NA NA +PJ094459 TCKKRRR C37H74N18O9S 946.5607 NA PeJP NA NA +PJ094460 SSLLLKMR C41H78N12O11S 946.5634 NA PeJP NA NA +PJ094461 PLLKKYW C49H74N10O9 946.5641 NA PeJP NA NA +PJ094462 GTTTKKRR C38H74N16O12 946.5673 NA PeJP NA NA +PJ094463 APLLKKMF C46H78N10O9S 946.5674 NA PeJP NA NA +PJ094464 SSSSLLLLK C42H78N10O14 946.5699 NA PeJP NA NA +PJ094465 ALLLKKMM C43H82N10O9S2 946.5708 NA PeJP NA NA +PJ094466 TTKKKRW C43H74N14O10 946.5713 NA PeJP NA NA +PJ094467 ALLLLLEY C47H78N8O12 946.574 NA PeJP NA NA +PJ094468 KKKKEMR C40H78N14O10S 946.5746 NA PeJP NA NA +PJ094469 GSLKKKMR C40H78N14O10S 946.5747 NA PeJP NA NA +PJ094470 VVLKFRW C48H74N12O8 946.5753 NA PeJP NA NA +PJ094471 VKKKKMW C45H78N12O8S 946.5787 NA PeJP NA NA +PJ094472 SSLKKKKE C41H78N12O13 946.5812 NA PeJP NA NA +PJ094473 ALLRRRY C42H74N16O9 946.5825 NA PeJP NA NA +PJ094474 SPVLLKKY C46H78N10O11 946.5852 NA PeJP NA NA +PJ094475 TKKKMRR C39H78N16O9S 946.5859 NA PeJP NA NA +PJ094476 TTLLLKKM C43H82N10O11S 946.5886 NA PeJP NA NA +PJ094477 PVVLLLFF C51H78N8O9 946.5892 NA PeJP NA NA +PJ094478 SSTLKKKR C40H78N14O12 946.5924 NA PeJP NA NA +PJ094479 VVLLLLMF C48H82N8O9S 946.5926 NA PeJP NA NA +PJ094480 GKKFRRR C41H74N18O8 946.5938 NA PeJP NA NA +PJ094481 AALLLKRY C45H78N12O10 946.5964 NA PeJP NA NA +PJ094482 ATLKKKKM C42H82N12O10S 946.5998 NA PeJP NA NA +PJ094483 LLLKKFW C50H78N10O8 946.6005 NA PeJP NA NA +PJ094484 VLLKRRY C44H78N14O9 946.6077 NA PeJP NA NA +PJ094485 SLLLLLLY C48H82N8O11 946.6103 NA PeJP NA NA +PJ094486 GCKKKKKK C41H82N14O9S 946.611 NA PeJP NA NA +PJ094487 TTTLKKKK C42H82N12O12 946.6176 NA PeJP NA NA +PJ094488 GLLLLKKY C47H82N10O10 946.6216 NA PeJP NA NA +MJ098439 Pestahivin; Demethoxy C52H82N8O8 946.625561 NA MeJP NA NA +PJ094489 GVLKKKKF C46H82N12O9 946.6328 NA PeJP NA NA +PJ094490 LKKKKFR C45H82N14O8 946.644 NA PeJP NA NA +MJ098440 Aplyronine C C53H90N2O12 946.649376 NA MeJP NA NA +PJ094491 LLLLLLLH C48H86N10O9 946.658 NA PeJP NA NA +HMDB10541 TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C63H94O6 946.705017 NA HMDB2010 NA NA +HMDB05399 TG(18:0/20:0/20:0)[iso3] C61H118O6 946.89282 http://www.hmdb.ca/metabolites/HMDB05399 HMDB NA NA +HMDB05399 TG(18:0/20:0/20:0)[iso3] C61H118O6 946.89282 HMDB05399 PFEM_hmdb_metabocards_official NA NA +HMDB05399 TG(18:0/20:0/20:0)[iso3] C61H118O6 946.892822 NA HMDB2010 NA NA +PJ094492 ACCCCCCCH C30H49N11O10S7 947.1709 NA PeJP NA NA +PJ094493 GCCCCDDDD C30H45N9O18S4 947.1766 NA PeJP NA NA +PJ094494 SSCCCCCCH C30H49N11O12S6 947.1887 NA PeJP NA NA +MetaCyc04339 Δ2,5-3,4,4-trimethylpimelyl-CoA [] C31H48N7O19P3S1 947.193853 NA metacyc NA NA +MetaCyc04340 5-hydroxy-3,4,4-trimethyl-Δ2-pimelyl-CoA-Δ-lactone [5-hydroxy-3,4,4-trimethyl-δ2-pimelyl-CoA-δ-lactone;] C31H48N7O19P3S1 947.193853 NA metacyc NA NA +PJ094495 SPCCCCCDD C31H49N9O15S5 947.1952 NA PeJP NA NA +PJ094496 GCCCCCNNE C30H49N11O14S5 947.2064 NA PeJP NA NA +PJ094497 GGGCCCCCNE C30H49N11O14S5 947.2065 NA PeJP NA NA +PJ094498 GSCCCDDDM C31H49N9O17S4 947.213 NA PeJP NA NA +PJ094499 GPCCCCCEM C32H53N9O12S6 947.2138 NA PeJP NA NA +PJ094500 CCCCCNNW C34H49N11O11S5 947.2217 NA PeJP NA NA +PJ094501 SSCCCCNND C30H49N11O16S4 947.2242 NA PeJP NA NA +PJ094502 SCCCCDEW C35H49N9O14S4 947.2282 NA PeJP NA NA +PJ094503 PCCCCCMW C36H53N9O9S6 947.2291 NA PeJP NA NA +PJ094504 SSSCCCDDE C31H49N9O19S3 947.2307 NA PeJP NA NA +PJ094505 CCCNDEMM C32H53N9O14S5 947.2316 NA PeJP NA NA +MJ098441 Aesculus hippocastanum Quercetin indoxylacetylglycoside C42H45NO24 947.233151 NA MeJP NA NA +PJ094506 CCCCDDMR C31H53N11O13S5 947.2428 NA PeJP NA NA +PJ094507 CCCNDDEF C35H49N9O16S3 947.246 NA PeJP NA NA +PJ094508 GCCCDMMW C36H53N9O11S5 947.2469 NA PeJP NA NA +PJ094509 ATTCCCCDE C32H53N9O16S4 947.2493 NA PeJP NA NA +PJ094510 GSSCCDDMM C32H53N9O16S4 947.2494 NA PeJP NA NA +PJ094511 GPTCCCCMM C33H57N9O11S6 947.2502 NA PeJP NA NA +PJ094512 CCCCNEHH C33H49N13O12S4 947.2507 NA PeJP NA NA +PJ094513 GSCCCCCNR C30H53N13O12S5 947.2541 NA PeJP NA NA +PJ094514 CNDDDDDH C33H45N11O20S 947.2564 NA PeJP NA NA +PJ094515 CCCNNNDY C34H49N11O15S3 947.2572 NA PeJP NA NA +PJ094516 SSSCCCNNM C31H53N11O15S4 947.2606 NA PeJP NA NA +PJ094517 GCCCDDFW C39H49N9O13S3 947.2612 NA PeJP NA NA +PJ094518 SCCNDDEY C35H49N9O18S2 947.2637 NA PeJP NA NA +PJ094519 SSCCCEMW C36H53N9O13S4 947.2646 NA PeJP NA NA +PJ094520 GCCCCHHW C37H49N13O9S4 947.266 NA PeJP NA NA +HMDB04257 3Z-dodecenoyl-CoA C33H56N7O17P3S 947.2666 http://www.hmdb.ca/metabolites/HMDB04257 HMDB NA NA +C02944 3-cis-Dodecenoyl-CoA C33H56N7O17P3S 947.2666 NA KEGG NA NA +C03221 2-trans-Dodecenoyl-CoA C33H56N7O17P3S 947.2666 NA KEGG NA NA +HMDB04257 3Z-dodecenoyl-CoA C33H56N7O17P3S 947.2666 HMDB04257 PFEM_hmdb_metabocards_official NA NA +HMDB04257 3Z-dodecenoyl-CoA C33H56N7O17P3S 947.266602 NA HMDB2010 NA NA +HMDB11689 Trans-2,3-dehydrododecanoyl-CoA C33H56N7O17P3S 947.266602 NA HMDB2010 NA NA +MJ098442 2-trans-Dodecenoyl-CoA C33H56N7O17P3S 947.266623 NA MeJP NA NA +PJ094521 SSSSCCDEM C32H53N9O18S3 947.2671 NA PeJP NA NA +PJ094522 SCCNEMMM C33H57N9O13S5 947.268 NA PeJP NA NA +PJ094523 GSSCCCDHH C33H49N13O14S3 947.2685 NA PeJP NA NA +PJ094524 CCCMYYY C41H53N7O11S4 947.2686 NA PeJP NA NA +PJ094525 GSPCCDDDH C34H49N11O17S2 947.275 NA PeJP NA NA +PJ094526 CCCNNNMF C35H53N11O12S4 947.2758 NA PeJP NA NA +PJ094527 GGGGCCCNMF C35H53N11O12S4 947.2759 NA PeJP NA NA +PJ094528 GSSSSSCCCQ C31H53N11O17S3 947.2783 NA PeJP NA NA +PJ094529 GSCCDDYW C39H49N9O15S2 947.279 NA PeJP NA NA +PJ094530 SCCCDMMR C32H57N11O12S5 947.2792 NA PeJP NA NA +PJ094531 APCCCCYW C40H53N9O10S4 947.2799 NA PeJP NA NA +PJ094532 GSSSCDDDY C35H49N9O20S 947.2815 NA PeJP NA NA +C16296 Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside C44H51O23 947.2821 NA KEGG NA NA +FL7AAIGL0022 Negretein C44H51O23 947.28211 66989-38-6 knapsack NA NA +FL7AAIGL0034 Malvidin 3-O-[6-O-(4-O-Z-p-coumaroyl-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside C44H51O23 947.28211 226951-59-3 knapsack NA NA +PJ094533 GCNDDMMY C36H53N9O15S3 947.2824 NA PeJP NA NA +PJ094534 GSCCMMMW C37H57N9O10S5 947.2832 NA PeJP NA NA +PJ094535 GSSSCDMMM C33H57N9O15S4 947.2857 NA PeJP NA NA +PJ094536 CCNNNDEH C33H49N13O16S2 947.2862 NA PeJP NA NA +PJ094537 GCNMMMMM C34H61N9O10S6 947.2866 NA PeJP NA NA +PJ094538 SCCCQMHH C34H53N13O11S4 947.2871 NA PeJP NA NA +PJ094539 PPCCCCHW C39H53N11O9S4 947.2911 NA PeJP NA NA +PJ094540 SNDDDDMH C34H49N11O19S 947.2927 NA PeJP NA NA +PJ094541 GCCCDERY C35H53N11O14S3 947.2936 NA PeJP NA NA +PJ094542 SSSSSSSCCN C31H53N11O19S2 947.2961 NA PeJP NA NA +PJ094543 GCNDDDFY C39H49N9O17S 947.2968 NA PeJP NA NA +PJ094544 SSSCCCCQK C32H57N11O14S4 947.297 NA PeJP NA NA +PJ094545 CCNEMYW C40H53N9O12S3 947.2976 NA PeJP NA NA +PJ094546 ACCCMMMR C33H61N11O9S6 947.2978 NA PeJP NA NA +PJ094547 SCCCCHHR C33H53N15O10S4 947.2983 NA PeJP NA NA +PJ094548 PNDDDDEE C35H49N9O22 947.2993 NA PeJP NA NA +PJ094549 SSCNDEMY C36H53N9O17S2 947.3001 NA PeJP NA NA +PJ094550 SSTCCMMW C37H57N9O12S4 947.301 NA PeJP NA NA +PJ094551 GCCNNDHW C37H49N13O13S2 947.3015 NA PeJP NA NA +PJ094552 CCCFFYY C45H53N7O10S3 947.3016 NA PeJP NA NA +PJ094553 DDDEEYY C40H49N7O20 947.3033 NA PeJP NA NA +PJ094554 SSSSSCEMM C33H57N9O17S3 947.3035 NA PeJP NA NA +PJ094555 GSSCNNDDH C33H49N13O18S 947.304 NA PeJP NA NA +PJ094556 SSCQMMMM C34H61N9O12S5 947.3044 NA PeJP NA NA +PJ094557 PCCCDDHR C34H53N13O13S3 947.3048 NA PeJP NA NA +PJ094558 GGGGGPTCCCH C34H53N13O13S3 947.3049 NA PeJP NA NA +PJ094559 DEEMMMY C38H57N7O15S3 947.3075 NA PeJP NA NA +PJ094560 GSCDDEHW C38H49N11O16S 947.308 NA PeJP NA NA +PJ094561 CCCDRYW C39H53N11O11S3 947.3088 NA PeJP NA NA +PJ094562 GPCCDMHW C39H53N11O11S3 947.3089 NA PeJP NA NA +PJ094563 GSSSDDDEH C34H49N11O21 947.3105 NA PeJP NA NA +PJ094564 GSSSCCNQY C35H53N11O16S2 947.3113 NA PeJP NA NA +PJ094565 SSCCDDRY C35H53N11O16S2 947.3114 NA PeJP NA NA +PJ094566 PTCCCCRY C36H57N11O11S4 947.3122 NA PeJP NA NA +PJ094567 GCCMYWW C44H53N9O9S3 947.3129 NA PeJP NA NA +PJ094568 GPDDDDEW C39H49N9O19 947.3145 NA PeJP NA NA +PJ094569 GSSSSSCCCK C32H57N11O16S3 947.3147 NA PeJP NA NA +PJ094570 GSSCDMYW C40H53N9O14S2 947.3154 NA PeJP NA NA +PJ094571 SSCCMMMR C33H61N11O11S5 947.3156 NA PeJP NA NA +PJ094572 CCQMMFW C41H57N9O9S4 947.3162 NA PeJP NA NA +PJ094573 GACCMMFW C41H57N9O9S4 947.3163 NA PeJP NA NA +PJ094574 GSSSSDDMY C36H53N9O19S 947.3179 NA PeJP NA NA +PJ094575 GSNDMMMY C37H57N9O14S3 947.3187 NA PeJP NA NA +PJ094576 GGGSDMMMY C37H57N9O14S3 947.3188 NA PeJP NA NA +PJ094577 ACCYYYY C45H53N7O12S2 947.3194 NA PeJP NA NA +PJ094578 GCCNMHHF C38H53N13O10S3 947.3201 NA PeJP NA NA +PJ094579 NNNNNDDE C33H49N13O20 947.3217 NA PeJP NA NA +PJ094580 GGGGGGGGNDDE C33H49N13O20 947.3218 NA PeJP NA NA +PJ094581 DDEEMFY C41H53N7O17S 947.3219 NA PeJP NA NA +PJ094582 GSSSSMMMM C34H61N9O14S4 947.3221 NA PeJP NA NA +PJ094583 GCDDDMHR C34H53N13O15S2 947.3226 NA PeJP NA NA +PJ094584 ACCKMMMM C35H65N9O9S6 947.323 NA PeJP NA NA +PJ094585 SCDDHWW C42H49N11O13S 947.3232 NA PeJP NA NA +PJ094586 SCCCKMHH C35H57N13O10S4 947.3235 NA PeJP NA NA +PJ094587 SSSDDDHW C38H49N11O18 947.3257 NA PeJP NA NA +PJ094588 GNDDDEHF C38H49N11O18 947.3258 NA PeJP NA NA +PJ094589 EEMMMMF C39H61N7O12S4 947.3261 NA PeJP NA NA +PJ094590 NDDMMHW C39H53N11O13S2 947.3266 NA PeJP NA NA +PJ094591 CCCMFRW C40H57N11O8S4 947.3275 NA PeJP NA NA +PJ094592 SSSSSCNNY C35H53N11O18S 947.3291 NA PeJP NA NA +PJ094593 PDDDDWW C43H49N9O16 947.3298 NA PeJP NA NA +PJ094594 GSCCEMRY C36H57N11O13S3 947.33 NA PeJP NA NA +PJ094595 GCNDEHHH C36H49N15O14S 947.3305 NA PeJP NA NA +PJ094596 STCCYWW C44H53N9O11S2 947.3306 NA PeJP NA NA +PJ094597 MMMMMHH C37H61N11O8S5 947.3309 NA PeJP NA NA +PJ094598 SSSSCEYW C40H53N9O16S 947.3331 NA PeJP NA NA +PJ094599 SSSCCCCKK C33H61N11O13S4 947.3333 NA PeJP NA NA +PJ094600 SCCNNDHR C33H53N15O14S2 947.3338 NA PeJP NA NA +PJ094601 SCQMMYW C41H57N9O11S3 947.334 NA PeJP NA NA +PJ094602 SSSSSSDEY C36H53N9O21 947.3356 NA PeJP NA NA +PJ094603 GAPTDDDEE C36H53N9O21 947.3357 NA PeJP NA NA +PJ094604 SSSNEMMY C37H57N9O16S2 947.3365 NA PeJP NA NA +PJ094605 GNNNNDDW C37H49N13O17 947.337 NA PeJP NA NA +PJ094606 SSCYYYY C45H53N7O14S 947.3371 NA PeJP NA NA +PJ094607 NQMMMMY C38H61N9O11S4 947.3374 NA PeJP NA NA +PJ094608 CCDEHRW C38H53N13O12S2 947.3378 NA PeJP NA NA +PJ094609 GGGSCNMHW C38H53N13O12S2 947.3379 NA PeJP NA NA +PJ094610 SEEEEYY C41H53N7O19 947.3396 NA PeJP NA NA +PJ094611 SSSSSTMMM C34H61N9O16S3 947.3399 NA PeJP NA NA +PJ094612 GSSSNNDMH C34H53N13O17S 947.3403 NA PeJP NA NA +PJ094613 SSCDDEHR C34H53N13O17S 947.3404 NA PeJP NA NA +PJ094614 PDEMMYY C42H57N7O14S2 947.3405 NA PeJP NA NA +PJ094615 SSCKMMMM C35H65N9O11S5 947.3407 NA PeJP NA NA +PJ094616 NDDDHFW C42H49N11O15 947.341 NA PeJP NA NA +PJ094617 SPCCDMHR C35H57N13O12S3 947.3412 NA PeJP NA NA +PJ094618 GCEMHWW C43H53N11O10S2 947.3419 NA PeJP NA NA +PJ094619 GSSDEMHW C39H53N11O15S 947.3444 NA PeJP NA NA +PJ094620 SCCMRYW C40H57N11O10S3 947.3452 NA PeJP NA NA +PJ094621 GGPPCCMHF C40H57N11O10S3 947.3453 NA PeJP NA NA +PJ094622 CNDHHHW C40H49N15O11S 947.3457 NA PeJP NA NA +PJ094623 GCCFFWW C48H53N9O8S2 947.3459 NA PeJP NA NA +PJ094624 SPDDDDER C35H53N11O20 947.3469 NA PeJP NA NA +PJ094625 SSSCDMRY C36H57N11O15S2 947.3477 NA PeJP NA NA +PJ094626 PPCDDDMR C36H57N11O15S2 947.3478 NA PeJP NA NA +PJ094627 SSNDDHHH C36H49N15O16 947.3482 NA PeJP NA NA +PJ094628 GNDMYYW C44H53N9O13S 947.3484 NA PeJP NA NA +PJ094629 CNMMMRY C37H61N11O10S4 947.3486 NA PeJP NA NA +PJ094630 SPCCQHHH C37H53N15O11S2 947.3491 NA PeJP NA NA +PJ094631 GSPDEEEW C40H53N9O18 947.3509 NA PeJP NA NA +PJ094632 NNNNNNNM C33H53N15O16S 947.3516 NA PeJP NA NA +PJ094633 GSSSMMYW C41H57N9O13S2 947.3518 NA PeJP NA NA +PJ094634 GCCNQMHR C34H57N15O11S3 947.3525 NA PeJP NA NA +PJ094635 CCKMMFW C42H61N9O8S4 947.3526 NA PeJP NA NA +PJ094636 GSSSSTEMY C37H57N9O18S 947.3543 NA PeJP NA NA +PJ094637 PDDEFYY C45H53N7O16 947.3549 NA PeJP NA NA +PJ094638 GSTQMMMY C38H61N9O13S3 947.3551 NA PeJP NA NA +PJ094639 SSSCNQHW C38H53N13O14S 947.3556 NA PeJP NA NA +PJ094640 ACCCKHHF C39H57N13O9S3 947.3565 NA PeJP NA NA +PJ094641 CMHWWW C47H53N11O7S2 947.3571 NA PeJP NA NA +PJ094642 GNNDDEER C34H53N13O19 947.3581 NA PeJP NA NA +PJ094643 VDEEMYY C42H57N7O16S 947.3583 NA PeJP NA NA +PJ094644 GSDDMMHR C35H57N13O14S2 947.359 NA PeJP NA NA +PJ094645 PEMMMFY C43H61N7O11S3 947.3592 NA PeJP NA NA +PJ094646 SSDMHWW C43H53N11O12S 947.3596 NA PeJP NA NA +PJ094647 APCCMMHR C36H61N13O9S4 947.3599 NA PeJP NA NA +PJ094648 SSSSEEHW C39H53N11O17 947.3621 NA PeJP NA NA +PJ094649 GGGGGAEEEW C39H53N11O17 947.3622 NA PeJP NA NA +PJ094650 LEMMMMY C40H65N7O11S4 947.3625 NA PeJP NA NA +PJ094651 SQEMMHW C40H57N11O12S2 947.363 NA PeJP NA NA +PJ094652 CQYYWW C48H53N9O10S 947.3636 NA PeJP NA NA +PJ094653 GCCCNHRR C33H57N17O10S3 947.3637 NA PeJP NA NA +PJ094654 CMHHHHF C41H53N15O8S2 947.3643 NA PeJP NA NA +PJ094655 GPDDEEMR C36H57N11O17S 947.3655 NA PeJP NA NA +PJ094656 SPDEEWW C44H53N9O15 947.3661 NA PeJP NA NA +PJ094657 PTDDEWW C44H53N9O15 947.3662 NA PeJP NA NA +PJ094658 GSTCMMRY C37H61N11O12S3 947.3664 NA PeJP NA NA +PJ094659 GSNEMHHH C37H53N15O13S 947.3668 NA PeJP NA NA +PJ094660 GGGSEMHHH C37H53N15O13S 947.3669 NA PeJP NA NA +PJ094661 PPCEMWW C45H57N9O10S2 947.367 NA PeJP NA NA +PJ094662 SNNNNDDR C33H53N15O18 947.3693 NA PeJP NA NA +PJ094663 GGGGSNNDDR C33H53N15O18 947.3694 NA PeJP NA NA +PJ094664 SSSSTMYW C41H57N9O15S 947.3695 NA PeJP NA NA +PJ094665 NYYYYY C49H53N7O13 947.3701 NA PeJP NA NA +PJ094666 GGYYYYY C49H53N7O13 947.3702 NA PeJP NA NA +PJ094667 SCKMMYW C42H61N9O10S3 947.3704 NA PeJP NA NA +PJ094668 CNNQHFW C42H53N13O11S 947.3708 NA PeJP NA NA +PJ094669 GGCNQHFW C42H53N13O11S 947.3709 NA PeJP NA NA +PJ094670 SSSSSTTEY C37H57N9O20 947.372 NA PeJP NA NA +PJ094671 SSSDKMMY C38H61N9O15S2 947.3729 NA PeJP NA NA +PJ094672 NNDDERW C38H53N13O16 947.3734 NA PeJP NA NA +PJ094673 PPDMYYY C46H57N7O13S 947.3735 NA PeJP NA NA +PJ094674 NKMMMMY C39H65N9O10S4 947.3738 NA PeJP NA NA +PJ094675 SCEMHRW C39H57N13O11S2 947.3742 NA PeJP NA NA +PJ094676 DEHHHHH C39H49N17O12 947.3747 NA PeJP NA NA +PJ094677 GPCNWWW C47H53N11O9S 947.3749 NA PeJP NA NA +PJ094678 SSSDEMHR C35H57N13O16S 947.3767 NA PeJP NA NA +PJ094679 GGGGSPDDMR C35H57N13O16S 947.3768 NA PeJP NA NA +PJ094680 VEEMMFY C43H61N7O13S2 947.3769 NA PeJP NA NA +PJ094681 GNQEEWW C43H53N11O14 947.3774 NA PeJP NA NA +PJ094682 NEMMMHR C36H61N13O11S3 947.3776 NA PeJP NA NA +PJ094683 GSCDHHHR C36H53N17O12S 947.3781 NA PeJP NA NA +PJ094684 ASMMHWW C44H57N11O9S2 947.3782 NA PeJP NA NA +PJ094685 GTMMHWW C44H57N11O9S2 947.3783 NA PeJP NA NA +PJ094686 SNDMRYY C40H57N11O14S 947.3807 NA PeJP NA NA +PJ094687 PDDEMRW C40H57N11O14S 947.3808 NA PeJP NA NA +PJ094688 GSSYYWW C48H53N9O12 947.3814 NA PeJP NA NA +PJ094689 VNMMMHW C41H61N11O9S3 947.3816 NA PeJP NA NA +PJ094690 SNMHHHW C41H53N15O10S 947.3821 NA PeJP NA NA +PJ094691 ASSSTTEEH C36H57N11O19 947.3832 NA PeJP NA NA +PJ094692 QEEEEER C36H57N11O19 947.3833 NA PeJP NA NA +PJ094693 SSSSMMRY C37H61N11O14S2 947.3841 NA PeJP NA NA +PJ094694 GGGGGGPVEMM C37H61N11O14S2 947.3842 NA PeJP NA NA +PJ094695 GPDDDHHR C37H53N15O15 947.3846 NA PeJP NA NA +PJ094696 APEEMWW C45H57N9O12S 947.3848 NA PeJP NA NA +PJ094697 APCKMMMH C38H65N11O9S4 947.385 NA PeJP NA NA +PJ094698 QQMMHHH C38H57N15O10S2 947.3855 NA PeJP NA NA +PJ094699 VQEEEEW C41H57N9O17 947.3873 NA PeJP NA NA +PJ094700 GSSSSCQHR C34H57N15O15S 947.388 NA PeJP NA NA +PJ094701 ASPPEMMW C42H61N9O12S2 947.3881 NA PeJP NA NA +PJ094702 GPPTEMMW C42H61N9O12S2 947.3882 NA PeJP NA NA +PJ094703 GNDDRWW C42H53N13O13 947.3886 NA PeJP NA NA +PJ094704 CDMMHRR C35H61N15O10S3 947.3888 NA PeJP NA NA +PJ094705 GGPPCCCRR C35H61N15O10S3 947.3889 NA PeJP NA NA +PJ094706 PCCHFRW C43H57N13O8S2 947.3895 NA PeJP NA NA +PJ094707 SSSSSSLMY C38H61N9O17S 947.3906 NA PeJP NA NA +PJ094708 GPKEEEEM C38H61N9O17S 947.3907 NA PeJP NA NA +PJ094709 PVDEYYY C46H57N7O15 947.3913 NA PeJP NA NA +PJ094710 GSTKMMMY C39H65N9O12S3 947.3915 NA PeJP NA NA +PJ094711 GSPCNERW C39H57N13O13S 947.392 NA PeJP NA NA +PJ094712 PPMMFYY C47H61N7O10S2 947.3922 NA PeJP NA NA +PJ094713 NQEWWW C47H53N11O11 947.3926 NA PeJP NA NA +PJ094714 GGGAEWWW C47H53N11O11 947.3927 NA PeJP NA NA +PJ094715 GMMMHRW C40H61N13O8S3 947.3929 NA PeJP NA NA +PJ094716 DDEEERR C35H57N13O18 947.3945 NA PeJP NA NA +PJ094717 TLEEMYY C43H61N7O15S 947.3947 NA PeJP NA NA +PJ094718 GSTEMMHR C36H61N13O13S2 947.3954 NA PeJP NA NA +PJ094719 PLMMMYY C44H65N7O10S3 947.3955 NA PeJP NA NA +PJ094720 GNNNQQHH C36H53N17O14 947.3958 NA PeJP NA NA +PJ094721 GGGGGGANQHH C36H53N17O14 947.3959 NA PeJP NA NA +PJ094722 STTMHWW C44H57N11O11S 947.396 NA PeJP NA NA +PJ094723 CQMHHHR C37H57N17O9S2 947.3967 NA PeJP NA NA +PJ094724 AEEEERW C40H57N11O16 947.3985 NA PeJP NA NA +PJ094725 GCNNNDRR C33H57N17O14S 947.3992 NA PeJP NA NA +PJ094726 SKEMMHW C41H61N11O11S2 947.3994 NA PeJP NA NA +PJ094727 ASSSHHHW C41H53N15O12 947.3998 NA PeJP NA NA +PJ094728 GSSTHHHW C41H53N15O12 947.3999 NA PeJP NA NA +PJ094729 CKYYWW C49H57N9O9S 947.4 NA PeJP NA NA +PJ094730 GPTEEEMR C37H61N11O16S 947.4019 NA PeJP NA NA +PJ094731 GLEEEWW C45H57N9O14 947.4025 NA PeJP NA NA +PJ094732 GPPEMMMR C38H65N11O11S3 947.4028 NA PeJP NA NA +PJ094733 NNNNMRW C38H57N15O12S 947.4032 NA PeJP NA NA +PJ094734 GGGGGGGGMRW C38H57N15O12S 947.4033 NA PeJP NA NA +PJ094735 PPTMMWW C46H61N9O9S2 947.4034 NA PeJP NA NA +PJ094736 GPEHHWW C46H53N13O10 947.4039 NA PeJP NA NA +PJ094737 GSNDDERR C34H57N15O17 947.4057 NA PeJP NA NA +PJ094738 GGGGGGGGSTER C34H57N15O17 947.4058 NA PeJP NA NA +PJ094739 PKEEEMW C42H61N9O14S 947.4059 NA PeJP NA NA +PJ094740 PPDFFYY C50H57N7O12 947.4066 NA PeJP NA NA +PJ094741 GPPVMMMW C43H65N9O9S3 947.4068 NA PeJP NA NA +PJ094742 SPCNRWW C43H57N13O10S 947.4072 NA PeJP NA NA +PJ094743 GGSPCRWW C43H57N13O10S 947.4073 NA PeJP NA NA +PJ094744 GQWWWW C51H53N11O8 947.4079 NA PeJP NA NA +PJ094745 SSSTTTTTY C38H61N9O19 947.4084 NA PeJP NA NA +PJ094746 SSTTKMMY C39H65N9O14S2 947.4093 NA PeJP NA NA +PJ094747 SNQEERW C39H57N13O15 947.4097 NA PeJP NA NA +PJ094748 GGSQEERW C39H57N13O15 947.4098 NA PeJP NA NA +PJ094749 PVEMFYY C47H61N7O12S 947.4099 NA PeJP NA NA +PJ094750 STMMHRW C40H61N13O10S2 947.4106 NA PeJP NA NA +PJ094751 AAMHFWW C48H57N11O8S 947.4113 NA PeJP NA NA +PJ094752 SSTTEMHR C36H61N13O15S 947.4131 NA PeJP NA NA +PJ094753 GGGGGGGAAKEM C36H61N13O15S 947.4132 NA PeJP NA NA +PJ094754 VLEMMYY C44H65N7O12S2 947.4133 NA PeJP NA NA +PJ094755 GNKEEWW C44H57N11O13 947.4138 NA PeJP NA NA +PJ094756 DKMMMHR C37H65N13O10S3 947.414 NA PeJP NA NA +PJ094757 GSSMHHHR C37H57N17O11S 947.4145 NA PeJP NA NA +PJ094758 PCKMHFW C45H61N11O8S2 947.4146 NA PeJP NA NA +PJ094759 GQHHHFW C45H53N15O9 947.4151 NA PeJP NA NA +PJ094760 PTEEMRW C41H61N11O13S 947.4171 NA PeJP NA NA +PJ094761 AAAAAQEMW C41H61N11O13S 947.4172 NA PeJP NA NA +PJ094762 LEEWWW C49H57N9O11 947.4178 NA PeJP NA NA +PJ094763 PPMMMRW C42H65N11O8S3 947.418 NA PeJP NA NA +PJ094764 TCKHHHW C42H57N15O9S 947.4185 NA PeJP NA NA +PJ094765 PHHWWW C50H53N13O7 947.4191 NA PeJP NA NA +PJ094766 KEEEEER C37H61N11O18 947.4196 NA PeJP NA NA +PJ094767 GSLEEEER C37H61N11O18 947.4197 NA PeJP NA NA +PJ094768 GPVEEMMR C38H65N11O13S2 947.4205 NA PeJP NA NA +PJ094769 SNDDRRW C38H57N15O14 947.421 NA PeJP NA NA +PJ094770 ASKMYYW C46H61N9O11S 947.4211 NA PeJP NA NA +PJ094771 SPLEMWW C46H61N9O11S 947.4212 NA PeJP NA NA +PJ094772 PCCQRRW C39H61N15O9S2 947.4219 NA PeJP NA NA +PJ094773 SSSTLQYY C42H61N9O16 947.4236 NA PeJP NA NA +PJ094774 VKEEEEW C42H61N9O16 947.4237 NA PeJP NA NA +PJ094775 CQQEERR C35H61N15O14S 947.4243 NA PeJP NA NA +PJ094776 NNEEMRR C35H61N15O14S 947.4244 NA PeJP NA NA +PJ094777 AAPLEMMW C43H65N9O11S2 947.4245 NA PeJP NA NA +PJ094778 GSQERWW C43H57N13O12 947.425 NA PeJP NA NA +PJ094779 PPMFFFY C51H61N7O9S 947.4252 NA PeJP NA NA +PJ094780 PHHHHHF C44H53N17O8 947.4264 NA PeJP NA NA +PJ094781 SPVKEEEM C39H65N9O16S 947.427 NA PeJP NA NA +PJ094782 GGAILEEEM C39H65N9O16S 947.4271 NA PeJP NA NA +PJ094783 PTLEYYY C47H61N7O14 947.4277 NA PeJP NA NA +PJ094784 PPVDKMMM C40H69N9O11S3 947.4279 NA PeJP NA NA +PJ094785 AQQEMRW C40H61N13O12S 947.4284 NA PeJP NA NA +PJ094786 PLMMFFY C48H65N7O9S2 947.4286 NA PeJP NA NA +PJ094787 NKEWWW C48H57N11O10 947.429 NA PeJP NA NA +PJ094788 LMHHHHH C41H57N17O8S 947.4297 NA PeJP NA NA +PJ094789 TEEEERR C36H61N13O17 947.4309 NA PeJP NA NA +PJ094790 PEEMMRR C37H65N13O12S2 947.4317 NA PeJP NA NA +PJ094791 GPNDKMMR C37H65N13O12S2 947.4318 NA PeJP NA NA +PJ094792 LLMMMFY C45H69N7O9S3 947.4319 NA PeJP NA NA +PJ094793 SSSTHHHR C37H57N17O13 947.4322 NA PeJP NA NA +PJ094794 GGGGGGGGAKHH C37H57N17O13 947.4323 NA PeJP NA NA +PJ094795 SPNKMWW C45H61N11O10S 947.4324 NA PeJP NA NA +PJ094796 CKMHHHR C38H61N17O8S2 947.4331 NA PeJP NA NA +PJ094797 SLEEERW C41H61N11O15 947.4349 NA PeJP NA NA +PJ094798 CNDERRR C34H61N17O13S 947.4356 NA PeJP NA NA +PJ094799 PVEMMRW C42H65N11O10S2 947.4358 NA PeJP NA NA +PJ094800 SPEHHRW C42H57N15O11 947.4362 NA PeJP NA NA +PJ094801 GGGGLQHHW C42H57N15O11 947.4363 NA PeJP NA NA +PJ094802 PPCLFWW C50H61N9O8S 947.4364 NA PeJP NA NA +3457 PEP inhibitor SPFWNINA 947.4378 ACE inhibitor Inhouse_peptide NA peptide +PJ094803 AALEEEMR C38H65N11O15S 947.4383 NA PeJP NA NA +PJ094804 SVLEEWW C46H61N9O13 947.4389 NA PeJP NA NA +PJ094805 SPPVMMMR C39H69N11O10S3 947.4391 NA PeJP NA NA +PJ094806 GGPPCKKMM C39H69N11O10S3 947.4392 NA PeJP NA NA +PJ094807 GNEMRRW C39H61N15O11S 947.4396 NA PeJP NA NA +PJ094808 PVVMMWW C47H65N9O8S2 947.4398 NA PeJP NA NA +PJ094809 SQRWWW C47H57N13O9 947.4403 NA PeJP NA NA +PJ094810 GSSQEERR C35H61N15O16 947.4421 NA PeJP NA NA +PJ094811 LLQEEMW C43H65N9O13S 947.4423 NA PeJP NA NA +PJ094812 PPVFYYY C51H61N7O11 947.4429 NA PeJP NA NA +PJ094813 GSPNMMRR C36H65N15O11S2 947.443 NA PeJP NA NA +PJ094814 NNDHHRR C36H57N19O12 947.4435 NA PeJP NA NA +PJ094815 AAQMRWW C44H61N13O9S 947.4436 NA PeJP NA NA +PJ094816 GKWWWW C52H57N11O7 947.4443 NA PeJP NA NA +PJ094817 ATLKEEEE C39H65N9O18 947.4448 NA PeJP NA NA +PJ094818 APLKEEMM C40H69N9O13S2 947.4457 NA PeJP NA NA +PJ094819 SNKEERW C40H61N13O14 947.4461 NA PeJP NA NA +PJ094820 GGGGGSDKKW C40H61N13O14 947.4462 NA PeJP NA NA +PJ094821 PVLMYYY C48H65N7O11S 947.4463 NA PeJP NA NA +PJ094822 PCQKMRW C41H65N13O9S2 947.447 NA PeJP NA NA +PJ094823 GQQHHRW C41H57N17O10 947.4475 NA PeJP NA NA +PJ094824 VEEEMRR C37H65N13O14S 947.4495 NA PeJP NA NA +PJ094825 ATQKEWW C45H61N11O12 947.4501 NA PeJP NA NA +PJ094826 GDKKEWW C45H61N11O12 947.4502 NA PeJP NA NA +PJ094827 ACCKKKMH C38H69N13O9S3 947.4504 NA PeJP NA NA +PJ094828 GCDRRRW C38H61N17O10S 947.4509 NA PeJP NA NA +PJ094829 GKHHHFW C46H57N15O8 947.4515 NA PeJP NA NA +PJ094830 SSSNNQRR C34H61N17O15 947.4533 NA PeJP NA NA +PJ094831 GSSDDRRR C34H61N17O15 947.4534 NA PeJP NA NA +PJ094832 VVEEMRW C42H65N11O12S 947.4535 NA PeJP NA NA +PJ094833 GGGGGGPVLMF C42H65N11O12S 947.4536 NA PeJP NA NA +PJ094834 SPPLYWW C50H61N9O10 947.4542 NA PeJP NA NA +PJ094835 NMRRWW C43H61N15O8S 947.4549 NA PeJP NA NA +PJ094836 ATTLEEER C38H65N11O17 947.456 NA PeJP NA NA +PJ094837 APTLEMMR C39H69N11O12S2 947.4569 NA PeJP NA NA +PJ094838 NQQQQFR C39H61N15O13 947.4573 NA PeJP NA NA +PJ094839 SSQERRW C39H61N15O13 947.4574 NA PeJP NA NA +PJ094840 ALLEMWW C47H65N9O10S 947.4575 NA PeJP NA NA +PJ094841 CLLLDWW C47H65N9O10S 947.4576 NA PeJP NA NA +PJ094842 PCCKRRW C40H65N15O8S2 947.4582 NA PeJP NA NA +PJ094843 PQHHHHR C40H57N19O9 947.4587 NA PeJP NA NA +PJ094844 ATTILDEW C43H65N9O15 947.46 NA PeJP NA NA +PJ094845 GTTLLEEW C43H65N9O15 947.4601 NA PeJP NA NA +PJ094846 NDKEMRR C36H65N15O13S 947.4607 NA PeJP NA NA +PJ094847 GGDKEMRR C36H65N15O13S 947.4608 NA PeJP NA NA +PJ094848 GPTLLMMW C44H69N9O10S2 947.4609 NA PeJP NA NA +PJ094849 GSKERWW C44H61N13O11 947.4614 NA PeJP NA NA +PJ094850 PLMFFFF C52H65N7O8S 947.4616 NA PeJP NA NA +PJ094851 GLLKEEEM C40H69N9O15S 947.4634 NA PeJP NA NA +PJ094852 VVLEYYY C48H65N7O13 947.4641 NA PeJP NA NA +PJ094853 PPTLKMMM C41H73N9O10S3 947.4643 NA PeJP NA NA +PJ094854 SLQQMRW C41H65N13O11S 947.4647 NA PeJP NA NA +PJ094855 AQKEMRW C41H65N13O11S 947.4648 NA PeJP NA NA +PJ094856 LLMMFFF C49H69N7O8S2 947.4649 NA PeJP NA NA +PJ094857 DKKWWW C49H61N11O9 947.4654 NA PeJP NA NA +PJ094858 SSSSPVTQR C37H65N13O16 947.4672 NA PeJP NA NA +PJ094859 GSDKKEER C37H65N13O16 947.4673 NA PeJP NA NA +PJ094860 GPTQKMMR C38H69N13O11S2 947.4681 NA PeJP NA NA +PJ094861 GGGGGLLMMR C38H69N13O11S2 947.4682 NA PeJP NA NA +PJ094862 NNNQFRR C38H61N17O12 947.4686 NA PeJP NA NA +PJ094863 GLQKMWW C46H65N11O9S 947.4688 NA PeJP NA NA +PJ094864 TQKKEEW C42H65N11O14 947.4713 NA PeJP NA NA +PJ094865 SNEMRRR C35H65N17O12S 947.472 NA PeJP NA NA +PJ094866 PQKKMMW C43H69N11O9S2 947.4722 NA PeJP NA NA +PJ094867 GSTRRWW C43H61N15O10 947.4726 NA PeJP NA NA +PJ094868 SPTQKKEM C39H69N11O14S 947.4746 NA PeJP NA NA +PJ094869 GTLLEEMR C39H69N11O14S 947.4747 NA PeJP NA NA +PJ094870 TTLLEWW C47H65N9O12 947.4753 NA PeJP NA NA +PJ094871 GPLLMMMR C40H73N11O9S3 947.4755 NA PeJP NA NA +PJ094872 GDKMRRW C40H65N15O10S 947.476 NA PeJP NA NA +PJ094873 SKRWWW C48H61N13O8 947.4766 NA PeJP NA NA +PJ094874 GLLHHWW C48H61N13O8 947.4767 NA PeJP NA NA +PJ094875 GSSKEERR C36H65N15O15 947.4785 NA PeJP NA NA +PJ094876 LLKEEMW C44H69N9O12S 947.4787 NA PeJP NA NA +PJ094877 PVLFFYY C52H65N7O10 947.4793 NA PeJP NA NA +PJ094878 VQQMMRR C37H69N15O10S2 947.4794 NA PeJP NA NA +PJ094879 SQQHHRR C37H61N19O11 947.4798 NA PeJP NA NA +PJ094880 GGGATHHRR C37H61N19O11 947.4799 NA PeJP NA NA +PJ094881 AAKMRWW C45H65N13O8S 947.48 NA PeJP NA NA +PJ094882 STLLKEEE C40H69N9O17 947.4812 NA PeJP NA NA +PJ094883 VLLLNDMM C41H73N9O12S2 947.482 NA PeJP NA NA +PJ094884 SPLLKEMM C41H73N9O12S2 947.4821 NA PeJP NA NA +PJ094885 SDKKERW C41H65N13O13 947.4825 NA PeJP NA NA +PJ094886 GGGGGGGAALKF C41H65N13O13 947.4826 NA PeJP NA NA +PJ094887 VLLMFYY C49H69N7O10S 947.4827 NA PeJP NA NA +PJ094888 SCDRRRR C34H65N19O11S 947.4832 NA PeJP NA NA +PJ094889 PCKKMRW C42H69N13O8S2 947.4834 NA PeJP NA NA +PJ094890 GQKHHRW C42H61N17O9 947.4839 NA PeJP NA NA +PJ094891 QKKEEMR C38H69N13O13S 947.4859 NA PeJP NA NA +PJ094892 ATKKEWW C46H65N11O11 947.4865 NA PeJP NA NA +PJ094893 GGGAPLKYW C46H65N11O11 947.4866 NA PeJP NA NA +PJ094894 GSMRRRW C39H65N17O9S 947.4872 NA PeJP NA NA +PJ094895 HFFRRW C47H61N15O7 947.4879 NA PeJP NA NA +PJ094896 GSSTERRR C35H65N17O14 947.4897 NA PeJP NA NA +PJ094897 TLLEMRW C43H69N11O11S 947.4899 NA PeJP NA NA +2824 PEP inhibitor MPPPLPTRVDFSLAGALN 947.4906 MH2+ Inhouse_peptide NA peptide +PJ094898 APLLYWW C51H65N9O9 947.4906 NA PeJP NA NA +PJ094899 STTLLEER C39H69N11O16 947.4924 NA PeJP NA NA +PJ094900 GVLLEMMR C40H73N11O11S2 947.4933 NA PeJP NA NA +PJ094901 SSKERRW C40H65N15O12 947.4937 NA PeJP NA NA +PJ094902 GSSSLRRW C40H65N15O12 947.4938 NA PeJP NA NA +PJ094903 SLLLMWW C48H69N9O9S 947.4939 NA PeJP NA NA +PJ094904 PKHHHHR C41H61N19O8 947.4951 NA PeJP NA NA +PJ094905 SSTLLLEW C44H69N9O14 947.4964 NA PeJP NA NA +PJ094906 GGALLLEEF C44H69N9O14 947.4965 NA PeJP NA NA +PJ094907 TQKEMRR C37H69N15O12S 947.4971 NA PeJP NA NA +PJ094908 AALLLMMW C45H73N9O9S2 947.4973 NA PeJP NA NA +PJ094909 ATTKRWW C45H65N13O10 947.4978 NA PeJP NA NA +PJ094910 SVLLKEEM C41H73N9O14S 947.4998 NA PeJP NA NA +PJ094911 TLLLYYY C49H69N7O12 947.5004 NA PeJP NA NA +PJ094912 PVVLKMMM C42H77N9O9S3 947.5007 NA PeJP NA NA +PJ094913 AKKEMRW C42H69N13O10S 947.5011 NA PeJP NA NA +PJ094914 GGTLKMRW C42H69N13O10S 947.5012 NA PeJP NA NA +PJ094915 GPKKFWW C50H65N11O8 947.5018 NA PeJP NA NA +PJ094916 ASTKKEER C38H69N13O15 947.5036 NA PeJP NA NA +PJ094917 GTTKKEER C38H69N13O15 947.5037 NA PeJP NA NA +PJ094918 LLEMMRR C39H73N13O10S2 947.5045 NA PeJP NA NA +PJ094919 SSTRRRW C39H65N17O11 947.505 NA PeJP NA NA +PJ094920 GLKKMWW C47H69N11O8S 947.5052 NA PeJP NA NA +PJ094921 TKKKEEW C43H69N11O13 947.5077 NA PeJP NA NA +PJ094922 SDKMRRR C36H69N17O11S 947.5084 NA PeJP NA NA +PJ094923 VLLMMRW C44H73N11O8S2 947.5085 NA PeJP NA NA +PJ094924 GVQFRRW C44H65N15O9 947.509 NA PeJP NA NA +PJ094925 SSLLLEMR C40H73N11O13S 947.511 NA PeJP NA NA +PJ094926 GVKKKEEM C40H73N11O13S 947.5111 NA PeJP NA NA +PJ094927 PLLKEYW C48H69N9O11 947.5117 NA PeJP NA NA +PJ094928 ATKMRRW C41H69N15O9S 947.5124 NA PeJP NA NA +PJ094929 GTTTKERR C37H69N15O14 947.5149 NA PeJP NA NA +PJ094930 ATTLLLMW C45H73N9O11S 947.5151 NA PeJP NA NA +PJ094931 VLLFFFY C53H69N7O9 947.5157 NA PeJP NA NA +PJ094932 LNKMMRR C38H73N15O9S2 947.5158 NA PeJP NA NA +PJ094933 SQKHHRR C38H65N19O10 947.5162 NA PeJP NA NA +PJ094934 SSSSLLLLE C41H73N9O16 947.5176 NA PeJP NA NA +PJ094935 ALLLKEMM C42H77N9O11S2 947.5184 NA PeJP NA NA +PJ094936 TTKKERW C42H69N13O12 947.5189 NA PeJP NA NA +PJ094937 SSMRRRR C35H69N19O10S 947.5196 NA PeJP NA NA +PJ094938 QFRRRW C43H65N17O8 947.5202 NA PeJP NA NA +PJ094939 GAFRRRW C43H65N17O8 947.5203 NA PeJP NA NA +PJ094940 KKKEEMR C39H73N13O12S 947.5223 NA PeJP NA NA +PJ094941 STLKKWW C47H69N11O10 947.5229 NA PeJP NA NA +PJ094942 VLMHHRR C40H69N17O8S 947.5236 NA PeJP NA NA +MJ098443 Phenelfamycin; Phenelfamycin C, 23-De(phenylacetoxy) C50H77NO16 947.524235 NA MeJP NA NA +PJ094943 SSSSLRRR C36H69N17O13 947.5261 NA PeJP NA NA +PJ094944 VKKKEMW C44H73N11O10S 947.5263 NA PeJP NA NA +PJ094945 ALLLFWW C52H69N9O8 947.5269 NA PeJP NA NA +PJ094946 VVVLFWW C52H69N9O8 947.527 NA PeJP NA NA +PJ094947 SSLKKKEE C40H73N11O15 947.5288 NA PeJP NA NA +PJ094948 ATLLLMMR C41H77N11O10S2 947.5297 NA PeJP NA NA +PJ094949 TTTKRRW C41H69N15O11 947.5301 NA PeJP NA NA +PJ094950 GGGGLLRRY C41H69N15O11 947.5302 NA PeJP NA NA +PJ094951 TTTTLLLW C45H73N9O13 947.5328 NA PeJP NA NA +PJ094952 TKKEMRR C38H73N15O11S 947.5335 NA PeJP NA NA +PJ094953 APKKRYW C46H69N13O9 947.5342 NA PeJP NA NA +PJ094954 TTLLLKEM C42H77N9O13S 947.5362 NA PeJP NA NA +PJ094955 SLKKMRW C43H73N13O9S 947.5375 NA PeJP NA NA +PJ094956 SSTLKKER C39H73N13O14 947.54 NA PeJP NA NA +PJ094957 AALKKMMR C40H77N13O9S2 947.5409 NA PeJP NA NA +PJ094958 GLQRRRY C40H69N17O10 947.5414 NA PeJP NA NA +PJ094959 ATTTLKKW C44H73N11O12 947.544 NA PeJP NA NA +PJ094960 SSSLLKKW C44H73N11O12 947.5441 NA PeJP NA NA +PJ094961 TTKMRRR C37H73N17O10S 947.5447 NA PeJP NA NA +PJ094962 GVKFRRW C45H69N15O8 947.5454 NA PeJP NA NA +PJ094963 TTTLLLMR C41H77N11O12S 947.5474 NA PeJP NA NA +PJ094964 LLLLQYW C49H73N9O10 947.5481 NA PeJP NA NA +PJ094965 SSTTLKRR C38H73N15O13 947.5513 NA PeJP NA NA +PJ094966 APLLLKMY C46H77N9O10S 947.5515 NA PeJP NA NA +PJ094967 VKKMMRR C39H77N15O8S2 947.5521 NA PeJP NA NA +PJ094968 AARRRRY C39H69N19O9 947.5526 NA PeJP NA NA +PJ094969 SSTTTLLLL C42H77N9O15 947.5539 NA PeJP NA NA +PJ094970 SLLLLKMM C43H81N9O10S2 947.5548 NA PeJP NA NA +PJ094971 GSSKKKKW C43H73N13O11 947.5553 NA PeJP NA NA +PJ094972 KFRRRW C44H69N17O7 947.5566 NA PeJP NA NA +PJ094973 ATTLKKMR C40H77N13O11S 947.5587 NA PeJP NA NA +PJ094974 VVLLRYW C48H73N11O9 947.5593 NA PeJP NA NA +PJ094975 GVLLLMFR C45H77N11O9S 947.5627 NA PeJP NA NA +PJ094976 APHRRRR C38H69N21O8 947.5638 NA PeJP NA NA +PJ094977 TTTLKKKE C41H77N11O14 947.5652 NA PeJP NA NA +PJ094978 GLLKKKMM C42H81N11O9S2 947.5661 NA PeJP NA NA +PJ094979 PTKKRRY C42H73N15O10 947.5665 NA PeJP NA NA +PJ094980 GLLLLKEY C46H77N9O12 947.5692 NA PeJP NA NA +PJ094981 GTCKKKKR C39H77N15O10S 947.5699 NA PeJP NA NA +PJ094982 ALKKFRW C47H73N13O8 947.5705 NA PeJP NA NA +PJ094983 PLLFFRR C47H73N13O8 947.5706 NA PeJP NA NA +PJ094984 CKKKKKW C44H77N13O8S 947.5739 NA PeJP NA NA +PJ094985 TTTTLKKR C40H77N13O13 947.5764 NA PeJP NA NA +PJ094986 GLKRRRY C41H73N17O9 947.5778 NA PeJP NA NA +PJ094987 GTLLLLRY C45H77N11O11 947.5804 NA PeJP NA NA +PJ094988 GGGLLLKKY C45H77N11O11 947.5805 NA PeJP NA NA +PJ094989 STLLKKKM C42H81N11O11S 947.5838 NA PeJP NA NA +PJ094990 LLLLKYW C50H77N9O9 947.5845 NA PeJP NA NA +PJ094991 SSSKKKKR C39H77N15O12 947.5877 NA PeJP NA NA +PJ094992 ALLLLKMF C47H81N9O9S 947.5878 NA PeJP NA NA +PJ094993 PVKHRRR C40H73N19O8 947.589 NA PeJP NA NA +PJ094994 LLQKKRY C44H77N13O10 947.5917 NA PeJP NA NA +PJ094995 SVCKKKKK C41H81N13O10S 947.595 NA PeJP NA NA +PJ094996 GTKKKKKM C41H81N13O10S 947.5951 NA PeJP NA NA +PJ094997 VLKKKFW C49H77N11O8 947.5957 NA PeJP NA NA +PJ094998 VVKKRRY C43H77N15O9 947.6029 NA PeJP NA NA +PJ094999 SVLLLLKY C47H81N9O11 947.6056 NA PeJP NA NA +PJ095000 STTKKKKK C41H81N13O12 947.6128 NA PeJP NA NA +PJ095001 GVLLKKKY C46H81N11O10 947.6168 NA PeJP NA NA +PJ095002 LLKKKRY C45H81N13O9 947.6281 NA PeJP NA NA +PJ095003 GPPLLLLLL C48H85N9O10 947.642 NA PeJP NA NA +PJ095004 VLLLLLKH C47H85N11O9 947.6532 NA PeJP NA NA +MJ098444 Plakoside A C57H105NO9 947.778933 NA MeJP NA NA +HMDB01380 Diguanosine pentaphosphate C20H29N10O24P5 948.00439 http://www.hmdb.ca/metabolites/HMDB01380 HMDB NA NA +HMDB01380 Diguanosine pentaphosphate C20H29N10O24P5 948.00439 HMDB01380 PFEM_hmdb_metabocards_official NA NA +HMDB01380 Diguanosine pentaphosphate C20H29N10O24P5 948.004395 NA HMDB2010 NA NA +PJ095005 GCCCCCNDE C30H48N10O15S5 948.1905 NA PeJP NA NA +PJ095006 CCCCCNDW C34H48N10O12S5 948.2057 NA PeJP NA NA +PJ095007 SSCCCCNDD C30H48N10O17S4 948.2082 NA PeJP NA NA +PJ095008 SPCCCCCCQ C31H52N10O12S6 948.2091 NA PeJP NA NA +PJ095009 CCCDDEMM C32H52N8O15S5 948.2156 NA PeJP NA NA +PJ095010 CCCCCMHF C35H52N10O9S6 948.2243 NA PeJP NA NA +PJ095011 GSCCCCNEM C31H52N10O14S5 948.2268 NA PeJP NA NA +PJ095012 GGGSCCCCEM C31H52N10O14S5 948.2269 NA PeJP NA NA +PJ095013 CCCDDDEF C35H48N8O17S3 948.23 NA PeJP NA NA +PJ095014 CCCCDEHH C33H48N12O13S4 948.2347 NA PeJP NA NA +PJ095015 GSCCCCCDR C30H52N12O13S5 948.2381 NA PeJP NA NA +PJ095016 CDDDDDDH C33H44N10O21S 948.2404 NA PeJP NA NA +PJ095017 CCCNNDDY C34H48N10O16S3 948.2412 NA PeJP NA NA +PJ095018 SCCCCNMW C35H52N10O11S5 948.2421 NA PeJP NA NA +PJ095019 SSSCCCNDM C31H52N10O16S4 948.2446 NA PeJP NA NA +PJ095020 CCCNNMMM C32H56N10O11S6 948.2455 NA PeJP NA NA +PJ095021 SCCDDDEY C35H48N8O19S2 948.2477 NA PeJP NA NA +PJ095022 TCCDDDDY C35H48N8O19S2 948.2478 NA PeJP NA NA +PJ095023 PCCCDDMY C36H52N8O14S4 948.2486 NA PeJP NA NA +PJ095024 SCCDEMMM C33H56N8O14S5 948.252 NA PeJP NA NA +PJ095025 PCCCMMMM C34H60N8O9S7 948.2529 NA PeJP NA NA +FL5FAAGL0095 Kaempferol 3-[2'''-(E)-ferulylsophoroside]-7-glucoside C43H48O24 948.25355 151649-63-7 knapsack NA NA +FL5FAAGL0096 Kaempferol 3-sophoroside-7-(2''-ferulylglucoside) C43H48O24 948.25355 87891-34-7 knapsack NA NA +FL5FAAGL0103 Kaempferol 3-(2''-ferulylglucoside)-7,4'-diglucoside C43H48O24 948.25355 108887-47-4 knapsack NA NA +FL5FAAGL0104 Kaempferol 3,4'-diglucoside-7-(2''-ferulylglucoside) C43H48O24 948.25355 108887-46-3 knapsack NA NA +MJ098445 3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[4-Hydroxycinnamoyl-(?2)-?-D-glucopyranosyl-(1?6)-[?-D-apiofuranosyl-(1?2)]-?-D-glucopyranoside] C43H48O24 948.253552 NA MeJP NA NA +MJ098446 Astragalin; 2''-O-(4-Hydroxy-3-methoxycinnamoyl), 4',7-di-O-?-D-glucopyranoside C43H48O24 948.253552 NA MeJP NA NA +MJ098447 Astragalin; 2''-O-?-D-Glucopyranosyl, 7-O-[4-hydroxy-3-methoxycinnamoyl-(?2)-?-D-glucopyranoside] C43H48O24 948.253552 NA MeJP NA NA +MJ098448 Astragalin; 2''-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?2)-?-D-glucopyranosyl], 7-O-?-D-glucopyranoside C43H48O24 948.253552 NA MeJP NA NA +MJ098449 Astragalin; 4'-O-?-D-Glucopyranoside, 7-O-[4-hydroxy-3-methoxycinnamoyl-(?2)-?-D-glucopyranoside] C43H48O24 948.253552 NA MeJP NA NA +MJ098450 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-[3,4-dihydroxycinnamoyl-(?6)]-?-D-glucopyranoside](E-), 5-O-?-D-glucopyranoside C43H49O24(+) 948.253552 NA MeJP NA NA +MJ098451 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(?3)-3,4-dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C43H49O24(+) 948.253552 NA MeJP NA NA +PJ095026 CCCCCQMR C31H56N12O10S6 948.2567 NA PeJP NA NA +PJ095027 GSSTCCCCW C35H52N10O13S4 948.2599 NA PeJP NA NA +PJ095028 GSSSSSCCCE C31H52N10O18S3 948.2624 NA PeJP NA NA +PJ095029 GSSCCCQMM C32H56N10O13S5 948.2632 NA PeJP NA NA +PJ095030 GCDDDMMY C36H52N8O16S3 948.2664 NA PeJP NA NA +PJ095031 PCCCDMMF C37H56N8O11S5 948.2673 NA PeJP NA NA +PJ095032 CCCCCCRR C30H56N14O9S6 948.2679 NA PeJP NA NA +PJ095033 CCNNDDEH C33H48N12O17S2 948.2702 NA PeJP NA NA +PJ095034 GCDMMMMM C34H60N8O11S6 948.2706 NA PeJP NA NA +PJ095035 SCCCEMHH C34H52N12O12S4 948.2711 NA PeJP NA NA +PJ095036 GSSCCCCMR C31H56N12O12S5 948.2745 NA PeJP NA NA +FL5FADGS0026 Isorhamnetin 3-rhamnosyl-(1->2)-gentiobiosyl-(1->6)-glucoside;Quercetin 3'-methyl ether 3-rhamnosyl-(1->2)-gentiobiosyl-(1->6)-glucoside C40H52O26 948.27468 - knapsack NA NA +MJ098452 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-L-Rhamnopyranosyl, 6''-O-?-D-glucopyranosyl, 7-O-?-D-glucopyranoside C40H52O26 948.274681 NA MeJP NA NA +MJ098453 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl], 2''-O-?-L-rhamnopyranosyl C40H52O26 948.274681 NA MeJP NA NA +MJ098454 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside], 3'-O-?-D-glucopyranoside C40H53O26(+) 948.274681 NA MeJP NA NA +PJ095037 GCCCCQFW C39H52N10O10S4 948.2751 NA PeJP NA NA +PJ095038 SDDDDDMH C34H48N10O20S 948.2768 NA PeJP NA NA +PJ095039 SSSSSCCCW C35H52N10O15S3 948.2776 NA PeJP NA NA +PJ095040 TCCCCCKW C36H56N10O10S5 948.2785 NA PeJP NA NA +PJ095041 SSSSSSSCCD C31H52N10O20S2 948.2801 NA PeJP NA NA +PJ095042 GCDDDDFY C39H48N8O18S 948.2808 NA PeJP NA NA +PJ095043 SSSSCCNMM C32H56N10O15S4 948.281 NA PeJP NA NA +PJ095044 CCDEMYW C40H52N8O13S3 948.2816 NA PeJP NA NA +PJ095045 CCCCQKMM C33H60N10O10S6 948.2819 NA PeJP NA NA +PJ095046 PDDDDDEE C35H48N8O23 948.2833 NA PeJP NA NA +PJ095047 SSCDDEMY C36H52N8O18S2 948.2841 NA PeJP NA NA +PJ095048 SPCCDMMY C37H56N8O13S4 948.285 NA PeJP NA NA +PJ095049 GCCNDDHW C37H48N12O14S2 948.2855 NA PeJP NA NA +PJ095050 PCCCCHHF C38H52N12O9S4 948.2864 NA PeJP NA NA +PJ095051 GSSCNDDDH C33H48N12O19S 948.288 NA PeJP NA NA +PJ095052 SSCEMMMM C34H60N8O13S5 948.2884 NA PeJP NA NA +PJ095053 GSPCCCNEH C34H52N12O14S3 948.2889 NA PeJP NA NA +PJ095054 GCCMMMHH C35H56N12O9S5 948.2897 NA PeJP NA NA +PJ095055 SSSTCCCCR C31H56N12O14S4 948.2922 NA PeJP NA NA +PJ095056 GSCCCQYW C39H52N10O12S3 948.2929 NA PeJP NA NA +PJ095057 CCCCCKMR C32H60N12O9S6 948.2931 NA PeJP NA NA +PJ095058 GSPNDDDDD C34H48N10O22 948.2945 NA PeJP NA NA +PJ095059 GSSSCCNEY C35H52N10O17S2 948.2954 NA PeJP NA NA +PJ095060 GCCNQMMY C36H56N10O12S4 948.2962 NA PeJP NA NA +PJ095061 GGGGACCMMY C36H56N10O12S4 948.2963 NA PeJP NA NA +PJ095062 GSDDDDYY C39H48N8O20 948.2985 NA PeJP NA NA +PJ095063 GSSSSSTCCM C32H56N10O17S3 948.2987 NA PeJP NA NA +PJ095064 GPCCDEYY C40H52N8O15S2 948.2994 NA PeJP NA NA +PJ095065 GSSCCCKMM C33H60N10O12S5 948.2996 NA PeJP NA NA +PJ095066 CCNNNNMH C33H52N14O13S3 948.3001 NA PeJP NA NA +PJ095067 CCEMMFW C41H56N8O10S4 948.3003 NA PeJP NA NA +PJ095068 GSDDMMMY C37H56N8O15S3 948.3028 NA PeJP NA NA +PJ095069 APCCMMMY C38H60N8O10S5 948.3036 NA PeJP NA NA +PJ095070 SPCCCNHW C38H52N12O11S3 948.3041 NA PeJP NA NA +PJ095071 NNNNDDDE C33H48N12O21 948.3057 NA PeJP NA NA +PJ095072 GGGGNNDDDE C33H48N12O21 948.3058 NA PeJP NA NA +PJ095073 SCNNDEMH C34H52N12O16S2 948.3066 NA PeJP NA NA +PJ095074 GSMMMMMM C35H64N8O10S6 948.307 NA PeJP NA NA +PJ095075 GCCCNMRY C35H56N12O11S4 948.3075 NA PeJP NA NA +PJ095076 GDDDDEHF C38H48N10O19 948.3098 NA PeJP NA NA +PJ095077 SSSCCNYW C39H52N10O14S2 948.3106 NA PeJP NA NA +MJ098455 Magnoloside A; 6-O-[?-D-Glucopyranosyl(1?4)-?-D-glucopyranosyl] C41H56O25 948.311067 NA MeJP NA NA +C17680 Magnoloside C C41H56O25 948.3111 NA KEGG NA NA +PJ095078 GCCCCKFW C40H56N10O9S4 948.3115 NA PeJP NA NA +PJ095079 SSSSSCNDY C35H52N10O19S 948.3131 NA PeJP NA NA +PJ095080 GGGGPDDDEM C35H52N10O19S 948.3132 NA PeJP NA NA +PJ095081 SSCNNMMY C36H56N10O14S3 948.314 NA PeJP NA NA +PJ095082 GCDDEHHH C36H48N14O15S 948.3145 NA PeJP NA NA +PJ095083 PCCDYYW C44H52N8O12S2 948.3146 NA PeJP NA NA +PJ095084 CCDEFFW C44H52N8O12S2 948.3147 NA PeJP NA NA +PJ095085 PPCCMMMH C37H60N10O9S5 948.3149 NA PeJP NA NA +PJ095086 SSSSSSSSCM C32H56N10O19S2 948.3165 NA PeJP NA NA +PJ095087 NDDEMYY C40H52N8O17S 948.3171 NA PeJP NA NA +PJ095088 GGDDEMYY C40H52N8O17S 948.3172 NA PeJP NA NA +PJ095089 SSSTCCCKM C33H60N10O14S4 948.3174 NA PeJP NA NA +PJ095090 SCCNDDHR C33H52N14O15S2 948.3178 NA PeJP NA NA +PJ095091 GGSCCDDHR C33H52N14O15S2 948.3179 NA PeJP NA NA +PJ095092 SCEMMYW C41H56N8O12S3 948.318 NA PeJP NA NA +PJ095093 CCCCKKMM C34H64N10O9S6 948.3182 NA PeJP NA NA +PJ095094 PCCCCQHR C34H56N14O10S4 948.3187 NA PeJP NA NA +PJ095095 SPDDEEEE C36H52N8O22 948.3197 NA PeJP NA NA +PJ095096 SSSDEMMY C37H56N8O17S2 948.3205 NA PeJP NA NA +PJ095097 GNNNDDDW C37H48N12O18 948.321 NA PeJP NA NA +PJ095098 NEMMMMY C38H60N8O12S4 948.3214 NA PeJP NA NA +PJ095099 GSCNDMHW C38H52N12O13S2 948.3219 NA PeJP NA NA +PJ095100 PCNDDDDR C34H52N12O18S 948.3244 NA PeJP NA NA +PJ095101 SSTMMMMM C35H64N8O12S5 948.3248 NA PeJP NA NA +PJ095102 DDDDHFW C42H48N10O16 948.325 NA PeJP NA NA +PJ095103 SSCCCQRY C35H56N12O13S3 948.3252 NA PeJP NA NA +PJ095104 GGGGGDMMMH C35H56N12O13S3 948.3253 NA PeJP NA NA +PJ095105 CCNNFYW C43H52N10O11S2 948.3259 NA PeJP NA NA +PJ095106 GPNDDDMW C39H52N10O16S 948.3284 NA PeJP NA NA +PJ095107 GSCCCKYW C40H56N10O11S3 948.3293 NA PeJP NA NA +PJ095108 CDDHHHW C40H48N14O12S 948.3297 NA PeJP NA NA +PJ095109 GNNEEEEE C35H52N10O21 948.3309 NA PeJP NA NA +PJ095110 GSSSSCQMY C36H56N10O16S2 948.3317 NA PeJP NA NA +PJ095111 GGGSSSTCMY C36H56N10O16S2 948.3318 NA PeJP NA NA +PJ095112 SSDDDHHH C36H48N14O17 948.3322 NA PeJP NA NA +PJ095113 GDDMYYW C44H52N8O14S 948.3324 NA PeJP NA NA +PJ095114 CDMMMRY C37H60N10O11S4 948.3326 NA PeJP NA NA +PJ095115 SPCCEHHH C37H52N14O12S2 948.3331 NA PeJP NA NA +PJ095116 PCCMFYW C45H56N8O9S3 948.3333 NA PeJP NA NA +PJ095117 GSSDEEYY C40H52N8O19 948.3349 NA PeJP NA NA +PJ095118 SSSSCNNNH C33H52N14O17S 948.3356 NA PeJP NA NA +PJ095119 GSPCEMYY C41H56N8O14S2 948.3358 NA PeJP NA NA +PJ095120 GCCNEMHR C34H56N14O12S3 948.3365 NA PeJP NA NA +PJ095121 GMMMMYW C42H60N8O9S4 948.3366 NA PeJP NA NA +PJ095122 APCCMMFF C42H60N8O9S4 948.3367 NA PeJP NA NA +PJ095123 SCCQHWW C42H52N12O10S2 948.3371 NA PeJP NA NA +PJ095124 GPEEEEEM C37H56N8O19S 948.3383 NA PeJP NA NA +PJ095125 GSTEMMMY C38H60N8O14S3 948.3391 NA PeJP NA NA +PJ095126 SSSCNEHW C38H52N12O15S 948.3396 NA PeJP NA NA +PJ095127 QMMMMMF C39H64N8O9S5 948.34 NA PeJP NA NA +PJ095128 CNQMMHW C39H56N12O10S3 948.3405 NA PeJP NA NA +PJ095129 GNDDDEER C34H52N12O20 948.3421 NA PeJP NA NA +PJ095130 GGGGGGGGSEEE C34H52N12O20 948.3422 NA PeJP NA NA +PJ095131 GSSSSCCRY C35H56N12O15S2 948.343 NA PeJP NA NA +PJ095132 PCNDEWW C43H52N10O13S 948.3436 NA PeJP NA NA +PJ095133 GGPCDEWW C43H52N10O13S 948.3437 NA PeJP NA NA +PJ095134 ACCCCKRY C36H60N12O10S4 948.3439 NA PeJP NA NA +PJ095135 GCNNMHHH C36H52N16O11S2 948.3443 NA PeJP NA NA +PJ095136 GGGGGCMHHH C36H52N16O11S2 948.3444 NA PeJP NA NA +PJ095137 NNEEEEW C39H52N10O18 948.3461 NA PeJP NA NA +PJ095138 GGNEEEEW C39H52N10O18 948.3462 NA PeJP NA NA +PJ095139 SEEMMHW C40H56N10O13S2 948.347 NA PeJP NA NA +PJ095140 CEYYWW C48H52N8O11S 948.3477 NA PeJP NA NA +PJ095141 SSSSSSNMY C36H56N10O18S 948.3495 NA PeJP NA NA +PJ095142 SSDEYYW C44H52N8O16 948.3502 NA PeJP NA NA +PJ095143 SSCCQKMY C37H60N10O13S3 948.3504 NA PeJP NA NA +PJ095144 GCNNNNQW C37H52N14O14S 948.3508 NA PeJP NA NA +PJ095145 GGGCNNNQW C37H52N14O14S 948.3509 NA PeJP NA NA +PJ095146 SPCMYYW C45H56N8O11S2 948.351 NA PeJP NA NA +PJ095147 CMMMMFR C38H64N10O8S5 948.3513 NA PeJP NA NA +PJ095148 CCNMHRW C38H56N14O9S3 948.3517 NA PeJP NA NA +PJ095149 GSSNNNNNE C33H52N14O19 948.3533 NA PeJP NA NA +PJ095150 SNNNDDDR C33H52N14O19 948.3534 NA PeJP NA NA +PJ095151 PEEEEMW C41H56N8O16S 948.3535 NA PeJP NA NA +PJ095152 DYYYYY C49H52N6O14 948.3542 NA PeJP NA NA +PJ095153 GGGGGGPCCER C34H56N14O14S2 948.3543 NA PeJP NA NA +PJ095154 STMMMYW C42H60N8O11S3 948.3544 NA PeJP NA NA +PJ095155 GSSSCHWW C42H52N12O12S 948.3549 NA PeJP NA NA +PJ095156 PCCCCKHR C35H60N14O9S4 948.3551 NA PeJP NA NA +PJ095157 GLDEEEEE C37H56N8O21 948.356 NA PeJP NA NA +PJ095158 GVEEEEEE C37H56N8O21 948.3561 NA PeJP NA NA +PJ095159 SSTTEMMY C38H60N8O16S2 948.3569 NA PeJP NA NA +PJ095160 NDDDERW C38H52N12O17 948.3574 NA PeJP NA NA +PJ095161 DKMMMMY C39H64N8O11S4 948.3578 NA PeJP NA NA +PJ095162 GSSNMMHW C39H56N12O12S2 948.3582 NA PeJP NA NA +PJ095163 GGGSSMMHW C39H56N12O12S2 948.3583 NA PeJP NA NA +PJ095164 GPCDWWW C47H52N10O10S 948.3589 NA PeJP NA NA +PJ095165 SPCDDQER C35H56N12O17S 948.3607 NA PeJP NA NA +PJ095166 SPNDDDMR C35H56N12O17S 948.3608 NA PeJP NA NA +PJ095167 GNEEEWW C43H52N10O15 948.3614 NA PeJP NA NA +PJ095168 SSCCCKRY C36H60N12O12S3 948.3616 NA PeJP NA NA +PJ095169 SSCNQHHH C36H52N16O13S 948.3621 NA PeJP NA NA +PJ095170 GPPTCCWW C44H56N10O10S2 948.3623 NA PeJP NA NA +PJ095171 GSPNEEMW C40H56N10O15S 948.3648 NA PeJP NA NA +PJ095172 GDDFFYW C48H52N8O13 948.3654 NA PeJP NA NA +PJ095173 VDMMMHW C41H60N10O10S3 948.3656 NA PeJP NA NA +PJ095174 GGAPPCMMW C41H60N10O10S3 948.3657 NA PeJP NA NA +PJ095175 SDMHHHW C41H52N14O11S 948.3661 NA PeJP NA NA +PJ095176 PCCFFFW C49H56N8O8S2 948.3663 NA PeJP NA NA +PJ095177 GSSSSSSSTY C36H56N10O20 948.3673 NA PeJP NA NA +PJ095178 GSSSSCKMY C37H60N10O15S2 948.3681 NA PeJP NA NA +PJ095179 GGGAAPEEMM C37H60N10O15S2 948.3682 NA PeJP NA NA +PJ095180 SSNNNNNW C37H52N14O16 948.3686 NA PeJP NA NA +PJ095181 GTEMYYW C45H56N8O13S 948.3688 NA PeJP NA NA +PJ095182 SMMMMRY C38H64N10O10S4 948.369 NA PeJP NA NA +PJ095183 GSTCCHRW C38H56N14O11S2 948.3695 NA PeJP NA NA +PJ095184 GMMMFFW C46H60N8O8S3 948.3697 NA PeJP NA NA +PJ095185 GCNHFWW C46H52N12O9S 948.3701 NA PeJP NA NA +PJ095186 VEEEEEW C41H56N8O18 948.3713 NA PeJP NA NA +PJ095187 GSSSSCEHR C34H56N14O16S 948.372 NA PeJP NA NA +PJ095188 VNEMMYY C42H60N8O13S2 948.3722 NA PeJP NA NA +PJ095189 GDDDRWW C42H52N12O14 948.3726 NA PeJP NA NA +PJ095190 GGGGGGSEWW C42H52N12O14 948.3727 NA PeJP NA NA +PJ095191 MFYYYY C50H56N6O11S 948.3728 NA PeJP NA NA +PJ095192 PPCCCDRR C35H60N14O11S3 948.3729 NA PeJP NA NA +PJ095193 SCCKHWW C43H56N12O9S2 948.3735 NA PeJP NA NA +PJ095194 SPVEEEEM C38H60N8O18S 948.3747 NA PeJP NA NA +PJ095195 SSSLMMMY C39H64N8O13S3 948.3755 NA PeJP NA NA +PJ095196 GSPCDERW C39H56N12O14S 948.376 NA PeJP NA NA +PJ095197 KMMMMMF C40H68N8O8S5 948.3764 NA PeJP NA NA +PJ095198 NEEWWW C47H52N10O12 948.3767 NA PeJP NA NA +PJ095199 GPPCCMRW C40H60N12O9S3 948.3769 NA PeJP NA NA +MJ098456 Urdamycin H C50H60O18 948.377965 NA MeJP NA NA +PJ095200 GSNEEEER C35H56N12O19 948.3785 NA PeJP NA NA +PJ095201 GPNDEMMR C36H60N12O14S2 948.3794 NA PeJP NA NA +PJ095202 GSSSSNHHH C36H52N16O15 948.3798 NA PeJP NA NA +PJ095203 GGGSSSSHHH C36H52N16O15 948.3799 NA PeJP NA NA +PJ095204 SPNEMWW C44H56N10O12S 948.38 NA PeJP NA NA +PJ095205 PCCCKKMH C37H64N12O9S4 948.3803 NA PeJP NA NA +PJ095206 CEMHHHR C37H56N16O10S2 948.3807 NA PeJP NA NA +PJ095207 NDKEEEW C40H56N10O17 948.3825 NA PeJP NA NA +PJ095208 GGGGAPEEEF C40H56N10O17 948.3826 NA PeJP NA NA +PJ095209 GCNNDDRR C33H56N16O15S 948.3832 NA PeJP NA NA +PJ095210 GGGGGGGGGGTCR C33H56N16O15S 948.3833 NA PeJP NA NA +PJ095211 PQQEMMW C41H60N10O12S2 948.3834 NA PeJP NA NA +PJ095212 GSPNDHHW C41H52N14O13 948.3839 NA PeJP NA NA +PJ095213 TMYYWW C49H56N8O10S 948.384 NA PeJP NA NA +PJ095214 GDMFFFW C49H56N8O10S 948.3841 NA PeJP NA NA +PJ095215 AMMHHHW C42H56N14O8S2 948.3847 NA PeJP NA NA +PJ095216 SSSSSTCKY C37H60N10O17S 948.3859 NA PeJP NA NA +PJ095217 STTEYYW C45H56N8O15 948.3865 NA PeJP NA NA +PJ095218 PPEEEYW C45H56N8O15 948.3866 NA PeJP NA NA +PJ095219 SSCCKKMY C38H64N10O12S3 948.3868 NA PeJP NA NA +PJ095220 SSSSCHRW C38H56N14O13S 948.3872 NA PeJP NA NA +PJ095221 GGGGNDMRW C38H56N14O13S 948.3873 NA PeJP NA NA +PJ095222 GVMMYYW C46H60N8O10S2 948.3874 NA PeJP NA NA +PJ095223 GSNNWWW C46H52N12O11 948.3879 NA PeJP NA NA +PJ095224 NMHHHHH C39H52N18O9S 948.3886 NA PeJP NA NA +PJ095225 SSSSSSDHR C34H56N14O18 948.3897 NA PeJP NA NA +PJ095226 GSDDDERR C34H56N14O18 948.3898 NA PeJP NA NA +PJ095227 SKEEMYY C42H60N8O15S 948.3899 NA PeJP NA NA +PJ095228 GPCDDMRR C35H60N14O13S2 948.3906 NA PeJP NA NA +PJ095229 VQMMMFY C43H64N8O10S3 948.3908 NA PeJP NA NA +PJ095230 ANNQMWW C43H56N12O11S 948.3912 NA PeJP NA NA +PJ095231 SPCDRWW C43H56N12O11S 948.3913 NA PeJP NA NA +PJ095232 GEWWWW C51H52N10O9 948.3919 NA PeJP NA NA +PJ095233 ATLEEEEE C38H60N8O20 948.3924 NA PeJP NA NA +PJ095234 TTTTTMMY C39H64N8O15S2 948.3933 NA PeJP NA NA +PJ095235 ASSSSSTHW C39H56N12O16 948.3937 NA PeJP NA NA +PJ095236 SNEEERW C39H56N12O16 948.3938 NA PeJP NA NA +PJ095237 PNDMMRW C40H60N12O11S2 948.3946 NA PeJP NA NA +PJ095238 GGGGGPCKMW C40H60N12O11S2 948.3947 NA PeJP NA NA +PJ095239 NNNQHHW C40H52N16O12 948.3951 NA PeJP NA NA +PJ095240 GSPMWWW C48H56N10O9S 948.3953 NA PeJP NA NA +PJ095241 QQEEEMR C36H60N12O16S 948.3971 NA PeJP NA NA +PJ095242 GGGVDEEMR C36H60N12O16S 948.3972 NA PeJP NA NA +PJ095243 GDKEEWW C44H56N10O14 948.3978 NA PeJP NA NA +PJ095244 SPPCQMMR C37H64N12O11S3 948.398 NA PeJP NA NA +PJ095245 GPCNEHHR C37H56N16O12S 948.3985 NA PeJP NA NA +PJ095246 MMRYYW C45H60N10O9S2 948.3986 NA PeJP NA NA +PJ095247 APQMMWW C45H60N10O9S2 948.3987 NA PeJP NA NA +PJ095248 GEHHHFW C45H52N14O10 948.3991 NA PeJP NA NA +PJ095249 GSSSNNNNR C33H56N16O17 948.401 NA PeJP NA NA +PJ095250 STEMRYY C41H60N10O14S 948.4011 NA PeJP NA NA +PJ095251 VQQEEMW C41H60N10O14S 948.4012 NA PeJP NA NA +PJ095252 GPTYYYW C49H56N8O12 948.4018 NA PeJP NA NA +PJ095253 GGSPCCNRR C34H60N16O12S2 948.4019 NA PeJP NA NA +PJ095254 TLMMMHW C42H64N10O9S3 948.402 NA PeJP NA NA +MJ098457 Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-4-O-sulfo-?-L-arabinopyranoside], 3-O-?-D-glucopyranoside C44H68O20S 948.402465 NA MeJP NA NA +PJ095255 GCNQRWW C42H56N14O10S 948.4025 NA PeJP NA NA +PJ095256 ASSPTTQEE C37H60N10O19 948.4036 NA PeJP NA NA +PJ095257 GTQKEEEE C37H60N10O19 948.4037 NA PeJP NA NA +PJ095258 STTLEMMH C38H64N10O14S2 948.4045 NA PeJP NA NA +PJ095259 SDDDRRW C38H56N14O15 948.405 NA PeJP NA NA +PJ095260 SSLMYYW C46H60N8O12S 948.4052 NA PeJP NA NA +PJ095261 GVLMMMMH C39H68N10O9S4 948.4054 NA PeJP NA NA +PJ095262 FFFYYY C54H56N6O10 948.4058 NA PeJP NA NA +PJ095263 PCCERRW C39H60N14O10S2 948.4059 NA PeJP NA NA +PJ095264 GSTHHHHH C39H52N18O11 948.4063 NA PeJP NA NA +PJ095265 GGGPNHHHH C39H52N18O11 948.4064 NA PeJP NA NA +PJ095266 WWWWW C55H52N10O6 948.4072 NA PeJP NA NA +PJ095267 SSSTLEYY C42H60N8O17 948.4077 NA PeJP NA NA +PJ095268 NDEEMRR C35H60N14O15S 948.4084 NA PeJP NA NA +PJ095269 VDKMMYY C43H64N8O12S2 948.4085 NA PeJP NA NA +PJ095270 PPPVDMMY C43H64N8O12S2 948.4086 NA PeJP NA NA +PJ095271 GSEERWW C43H56N12O13 948.409 NA PeJP NA NA +PJ095272 SPPCCMRR C36H64N14O10S3 948.4092 NA PeJP NA NA +PJ095273 APCMRWW C44H60N12O8S2 948.4099 NA PeJP NA NA +PJ095274 GLLEEEEM C39H64N8O17S 948.4111 NA PeJP NA NA +PJ095275 PPTLEMMM C40H68N8O12S3 948.4119 NA PeJP NA NA +PJ095276 AQEEMRW C40H60N12O13S 948.4124 NA PeJP NA NA +PJ095277 DKEWWW C48H56N10O11 948.413 NA PeJP NA NA +PJ095278 GGAPEFWW C48H56N10O11 948.4131 NA PeJP NA NA +PJ095279 PMMMHFR C41H64N12O8S3 948.4133 NA PeJP NA NA +PJ095280 PCNHHRW C41H56N16O9S 948.4137 NA PeJP NA NA +PJ095281 HHHFWW C49H52N14O7 948.4144 NA PeJP NA NA +PJ095282 GSDKEEER C36H60N12O18 948.4149 NA PeJP NA NA +PJ095283 GPTQEMMR C37H64N12O13S2 948.4158 NA PeJP NA NA +PJ095284 GNNNNNFR C37H56N16O14 948.4162 NA PeJP NA NA +PJ095285 GGGGGGGNNFR C37H56N16O14 948.4163 NA PeJP NA NA +PJ095286 GLQEMWW C45H60N10O11S 948.4164 NA PeJP NA NA +PJ095287 LMMMMHR C38H68N12O8S4 948.4166 NA PeJP NA NA +PJ095288 TFFYWW C53H56N8O9 948.4171 NA PeJP NA NA +PJ095289 TQKEEEW C41H60N10O16 948.4189 NA PeJP NA NA +PJ095290 CDDERRR C34H60N16O14S 948.4196 NA PeJP NA NA +PJ095291 PQKEMMW C42H64N10O11S2 948.4198 NA PeJP NA NA +PJ095292 SSNNRWW C42H56N14O12 948.4202 NA PeJP NA NA +PJ095293 GGSSNRWW C42H56N14O12 948.4203 NA PeJP NA NA +PJ095294 GVMFFYW C50H60N8O9S 948.4204 NA PeJP NA NA +PJ095295 GVQKEEEM C38H64N10O16S 948.4223 NA PeJP NA NA +PJ095296 PLEEEFW C46H60N8O14 948.4229 NA PeJP NA NA +PJ095297 SSLLMMMH C39H68N10O11S3 948.4232 NA PeJP NA NA +PJ095298 GDEMRRW C39H60N14O12S 948.4236 NA PeJP NA NA +PJ095299 GGGGGGGPMFR C39H60N14O12S 948.4237 NA PeJP NA NA +PJ095300 VQMMFFF C47H64N8O9S2 948.4238 NA PeJP NA NA +PJ095301 SERWWW C47H56N12O10 948.4243 NA PeJP NA NA +PJ095302 GSSEEERR C35H60N14O17 948.4261 NA PeJP NA NA +PJ095303 GGGGGGGGGSTTK C35H60N14O17 948.4262 NA PeJP NA NA +PJ095304 LLEEEMW C43H64N8O14S 948.4263 NA PeJP NA NA +PJ095305 GSPDMMRR C36H64N14O12S2 948.427 NA PeJP NA NA +PJ095306 VKMMMFY C44H68N8O9S3 948.4272 NA PeJP NA NA +PJ095307 NDDHHRR C36H56N18O13 948.4275 NA PeJP NA NA +PJ095308 AAEMRWW C44H60N12O10S 948.4276 NA PeJP NA NA +PJ095309 GVDMRWW C44H60N12O10S 948.4277 NA PeJP NA NA +PJ095310 SVWWWW C52H56N10O8 948.4283 NA PeJP NA NA +PJ095311 STLLEEEE C39H64N8O19 948.4288 NA PeJP NA NA +PJ095312 SPLLEEMM C40H68N8O14S2 948.4297 NA PeJP NA NA +PJ095313 TTQEERW C40H60N12O15 948.4301 NA PeJP NA NA +PJ095314 SDKEERW C40H60N12O15 948.4302 NA PeJP NA NA +PJ095315 PPVLMMMM C41H72N8O9S4 948.4306 NA PeJP NA NA +PJ095316 PTQMMRW C41H64N12O10S2 948.431 NA PeJP NA NA +PJ095317 GQEHHRW C41H56N16O11 948.4315 NA PeJP NA NA +PJ095318 LQMWWW C49H60N10O8S 948.4317 NA PeJP NA NA +PJ095319 QKEEEMR C37H64N12O15S 948.4335 NA PeJP NA NA +PJ095320 ATKEEWW C45H60N10O13 948.4342 NA PeJP NA NA +PJ095321 GPVQMMMR C38H68N12O10S3 948.4344 NA PeJP NA NA +PJ095322 SCNQRRW C38H60N16O11S 948.4348 NA PeJP NA NA +PJ095323 GGSCQRRW C38H60N16O11S 948.4349 NA PeJP NA NA +PJ095324 APKMMWW C46H64N10O8S2 948.435 NA PeJP NA NA +PJ095325 GVQHHWW C46H56N14O9 948.4355 NA PeJP NA NA +PJ095326 SSSNNERR C34H60N16O16 948.4374 NA PeJP NA NA +PJ095327 VQKEEMW C42H64N10O13S 948.4375 NA PeJP NA NA +PJ095328 GGLKEEMW C42H64N10O13S 948.4376 NA PeJP NA NA +PJ095329 AALYYYW C50H60N8O11 948.4382 NA PeJP NA NA +PJ095330 GGGGGAMMRR C35H64N16O11S2 948.4383 NA PeJP NA NA +MJ098458 3,6,20-Trihydroxycholest-9(11)-en-23-one, 6-O-[6-Deoxy-?-D-glucopyranosyl-(1?2)-6-deoxy-?-D-glucopyranosyl-(1?3)-6-deoxy-?-D-xylo-hexopyranosid-4-uloside], 3-O-sulfate C45H72O19S 948.43885 NA MeJP NA NA +PJ095331 DMRRWW C43H60N14O9S 948.4389 NA PeJP NA NA +PJ095332 SSLQKEEE C38H64N10O18 948.44 NA PeJP NA NA +PJ095333 GTKKEEEE C38H64N10O18 948.4401 NA PeJP NA NA +PJ095334 GPKKEEMM C39H68N10O13S2 948.4409 NA PeJP NA NA +PJ095335 SSEERRW C39H60N14O14 948.4414 NA PeJP NA NA +PJ095336 PCLKYYY C47H64N8O11S 948.4415 NA PeJP NA NA +PJ095337 PTKMFYY C47H64N8O11S 948.4416 NA PeJP NA NA +PJ095338 PTCMRRW C40H64N14O9S2 948.4423 NA PeJP NA NA +PJ095339 PEHHHHR C40H56N18O10 948.4427 NA PeJP NA NA +PJ095340 CLRWWW C48H60N12O7S 948.4429 NA PeJP NA NA +PJ095341 STTTTLYY C43H64N8O16 948.444 NA PeJP NA NA +PJ095342 GPLLEEEY C43H64N8O16 948.4441 NA PeJP NA NA +PJ095343 TQEEMRR C36H64N14O14S 948.4447 NA PeJP NA NA +PJ095344 GATEEMRR C36H64N14O14S 948.4448 NA PeJP NA NA +PJ095345 TLKMMYY C44H68N8O11S2 948.4449 NA PeJP NA NA +PJ095346 ATTERWW C44H60N12O12 948.4454 NA PeJP NA NA +PJ095347 PQMMMRR C37H68N14O9S3 948.4456 NA PeJP NA NA +PJ095348 GSPCHHRR C37H60N18O10S 948.4461 NA PeJP NA NA +PJ095349 QHHRWW C45H56N16O8 948.4467 NA PeJP NA NA +PJ095350 GAHHRWW C45H56N16O8 948.4468 NA PeJP NA NA +PJ095351 SVLLEEEM C40H68N8O16S 948.4474 NA PeJP NA NA +PJ095352 PVVLEMMM C41H72N8O11S3 948.4483 NA PeJP NA NA +PJ095353 AKEEMRW C41H64N12O12S 948.4488 NA PeJP NA NA +PJ095354 GTTLWWW C49H60N10O10 948.4494 NA PeJP NA NA +PJ095355 CNNMRRR C34H64N18O10S2 948.4495 NA PeJP NA NA +PJ095356 CLHHHFR C42H60N16O8S 948.4501 NA PeJP NA NA +PJ095357 GTTKEEER C37H64N12O17 948.4513 NA PeJP NA NA +PJ095358 SSPLQMMR C38H68N12O12S2 948.4521 NA PeJP NA NA +PJ095359 GPTKEMMR C38H68N12O12S2 948.4522 NA PeJP NA NA +PJ095360 GSSSNRRW C38H60N16O13 948.4526 NA PeJP NA NA +PJ095361 GLKEMWW C46H64N10O10S 948.4528 NA PeJP NA NA +PJ095362 GVFFFFW C54H60N8O8 948.4535 NA PeJP NA NA +PJ095363 TKKEEEW C42H64N10O15 948.4553 NA PeJP NA NA +PJ095364 SDEMRRR C35H64N16O13S 948.456 NA PeJP NA NA +PJ095365 PKKEMMW C43H68N10O10S2 948.4562 NA PeJP NA NA +PJ095366 GPDRRYW C43H60N14O11 948.4566 NA PeJP NA NA +PJ095367 GGGAAQFRW C43H60N14O11 948.4567 NA PeJP NA NA +PJ095368 PCMMRRR C36H68N16O8S3 948.4569 NA PeJP NA NA +PJ095369 GVKKEEEM C39H68N10O15S 948.4587 NA PeJP NA NA +PJ095370 PLLEEYW C47H64N8O13 948.4593 NA PeJP NA NA +PJ095371 SPPKKMMM C40H72N10O10S3 948.4595 NA PeJP NA NA +PJ095372 GAAPLKMMM C40H72N10O10S3 948.4596 NA PeJP NA NA +PJ095373 ATEMRRW C40H64N14O11S 948.46 NA PeJP NA NA +PJ095374 VKMMFFF C48H68N8O8S2 948.4602 NA PeJP NA NA +PJ095375 AAPRYWW C48H60N12O9 948.4607 NA PeJP NA NA +PJ095376 GTTTEERR C36H64N14O16 948.4625 NA PeJP NA NA +PJ095377 SPPLLEMY C44H68N8O13S 948.4627 NA PeJP NA NA +PJ095378 VQEMMRR C37H68N14O11S2 948.4634 NA PeJP NA NA +PJ095379 SQEHHRR C37H60N18O12 948.4638 NA PeJP NA NA +PJ095380 GGTEHHRR C37H60N18O12 948.4639 NA PeJP NA NA +PJ095381 GTLMRWW C45H64N12O9S 948.464 NA PeJP NA NA +PJ095382 PKFWWW C53H60N10O7 948.4647 NA PeJP NA NA +PJ095383 ALLLEEMM C41H72N8O13S2 948.4661 NA PeJP NA NA +PJ095384 TTKEERW C41H64N12O14 948.4665 NA PeJP NA NA +PJ095385 GGGGGPKKEY C41H64N12O14 948.4666 NA PeJP NA NA +PJ095386 GSSCQRRR C34H64N18O12S 948.4672 NA PeJP NA NA +PJ095387 PTKMMRW C42H68N12O9S2 948.4674 NA PeJP NA NA +PJ095388 GNNFRRW C42H60N16O10 948.4679 NA PeJP NA NA +PJ095389 LKMWWW C50H64N10O7S 948.4681 NA PeJP NA NA +PJ095390 KKEEEMR C38H68N12O14S 948.4699 NA PeJP NA NA +PJ095391 STLKEWW C46H64N10O12 948.4705 NA PeJP NA NA +PJ095392 TTLDKWW C46H64N10O12 948.4706 NA PeJP NA NA +PJ095393 GPVKMMMR C39H72N12O9S3 948.4708 NA PeJP NA NA +PJ095394 SCNKRRW C39H64N16O10S 948.4712 NA PeJP NA NA +PJ095395 GGSCKRRW C39H64N16O10S 948.4713 NA PeJP NA NA +PJ095396 APPHRWW C47H60N14O8 948.4719 NA PeJP NA NA +PJ095397 SSSNDKRR C35H64N16O15 948.4737 NA PeJP NA NA +PJ095398 GGSSSDKRR C35H64N16O15 948.4738 NA PeJP NA NA +PJ095399 VKKEEMW C43H68N10O12S 948.4739 NA PeJP NA NA +PJ095400 PTKFFFY C51H64N8O10 948.4746 NA PeJP NA NA +PJ095401 GPMFRRW C44H64N14O8S 948.4753 NA PeJP NA NA +PJ095402 SSLKKEEE C39H68N10O17 948.4764 NA PeJP NA NA +PJ095403 SPVKKEMM C40H72N10O12S2 948.4773 NA PeJP NA NA +PJ095404 LNQQQRY C40H64N14O13 948.4777 NA PeJP NA NA +PJ095405 TTTERRW C40H64N14O13 948.4778 NA PeJP NA NA +PJ095406 VVKMFYY C48H68N8O10S 948.4779 NA PeJP NA NA +PJ095407 PPPVVMFY C48H68N8O10S 948.478 NA PeJP NA NA +PJ095408 GLMMRRW C41H68N14O8S2 948.4786 NA PeJP NA NA +PJ095409 GTHHRRW C41H60N18O9 948.4791 NA PeJP NA NA +PJ095410 SPVLLEEY C44H68N8O15 948.4804 NA PeJP NA NA +PJ095411 PVVTLEEY C44H68N8O15 948.4805 NA PeJP NA NA +PJ095412 TKEEMRR C37H68N14O13S 948.4811 NA PeJP NA NA +PJ095413 GGGSKKEMR C37H68N14O13S 948.4812 NA PeJP NA NA +PJ095414 PPVVLMMY C45H72N8O10S2 948.4813 NA PeJP NA NA +PJ095415 STTLRWW C45H64N12O11 948.4818 NA PeJP NA NA +PJ095416 PKMMMRR C38H72N14O8S3 948.482 NA PeJP NA NA +PJ095417 VNMHHRR C38H64N18O9S 948.4825 NA PeJP NA NA +PJ095418 KHHRWW C46H60N16O7 948.4831 NA PeJP NA NA +PJ095419 TTLLLEEM C41H72N8O15S 948.4838 NA PeJP NA NA +PJ095420 PTLLLMMM C42H76N8O10S3 948.4847 NA PeJP NA NA +PJ095421 SSSSNRRR C34H64N18O14 948.485 NA PeJP NA NA +PJ095422 SLKEMRW C42H68N12O11S 948.4852 NA PeJP NA NA +PJ095423 GPLKYWW C50H64N10O9 948.4858 NA PeJP NA NA +PJ095424 CCQKRRR C35H68N18O9S2 948.4859 NA PeJP NA NA +PJ095425 APTTTTTTR C38H68N12O16 948.4876 NA PeJP NA NA +PJ095426 SSTLKEER C38H68N12O16 948.4877 NA PeJP NA NA +PJ095427 AALKEMMR C39H72N12O11S2 948.4885 NA PeJP NA NA +PJ095428 GGGGALKKMM C39H72N12O11S2 948.4886 NA PeJP NA NA +7861 peptide isolated from marine rotifier (Brachionus rotundiformis) DLGLGLPGAH 948.4889 ACE inhibitor Inhouse_peptide NA peptide +PJ095429 SPDRRRY C39H64N16O12 948.489 NA PeJP NA NA +PJ095430 SVLKMWW C47H68N10O9S 948.4892 NA PeJP NA NA +PJ095431 SSSLLKEW C43H68N10O14 948.4917 NA PeJP NA NA +PJ095432 TTEMRRR C36H68N16O12S 948.4924 NA PeJP NA NA +PJ095433 LLQKMMW C44H72N10O9S2 948.4926 NA PeJP NA NA +MJ098459 3,14-Clerodadiene-6,13-diol, 6-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside], 13-[?-L-rhamnopyranosyl-(1?4)-?-D-fucopyranoside] C46H76O20 948.492994 NA MeJP NA NA +MJ098460 Furost-25(27)-ene-3,12,22,26-tetrol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside, 22-Me ether C46H76O20 948.492994 NA MeJP NA NA +PJ095434 APTRRYW C44H64N14O10 948.493 NA PeJP NA NA +PJ095435 GMHHRRR C37H64N20O8S 948.4937 NA PeJP NA NA +PJ095436 SSSSPLLKM C40H72N10O14S 948.495 NA PeJP NA NA +PJ095437 ATLKKEEM C40H72N10O14S 948.4951 NA PeJP NA NA +MJ098461 Cycloheptamycin C48H68N8O12 948.495669 NA MeJP NA NA +PJ095438 LLLEEFW C48H68N8O12 948.4957 NA PeJP NA NA +PJ095439 APLKKMMM C41H76N10O9S3 948.4959 NA PeJP NA NA +PJ095440 STLMRRW C41H68N14O10S 948.4964 NA PeJP NA NA +PJ095441 AALFRWW C49H64N12O8 948.4971 NA PeJP NA NA +PJ095442 SSTTLERR C37H68N14O15 948.4989 NA PeJP NA NA +PJ095443 APLLLEMY C45H72N8O12S 948.4991 NA PeJP NA NA +PJ095444 VKEMMRR C38H72N14O10S2 948.4998 NA PeJP NA NA +PJ095445 GNQRRRY C38H64N18O11 948.5002 NA PeJP NA NA +PJ095446 GGGGARRRY C38H64N18O11 948.5003 NA PeJP NA NA +PJ095447 ACKKKWW C46H68N12O8S 948.5004 NA PeJP NA NA +PJ095448 SLLLLEMM C42H76N8O12S2 948.5025 NA PeJP NA NA +PJ095449 SSSTLLRW C42H68N12O13 948.5029 NA PeJP NA NA +PJ095450 GGGGGGAPPPLL C42H68N12O13 948.503 NA PeJP NA NA +PJ095451 GSSCKRRR C35H68N18O11S 948.5036 NA PeJP NA NA +PJ095452 VVKMMRW C43H72N12O8S2 948.5038 NA PeJP NA NA +PJ095453 EFRRRW C43H64N16O9 948.5043 NA PeJP NA NA +PJ095454 ATTLKEMR C39H72N12O13S 948.5063 NA PeJP NA NA +PJ095455 PVKKEYW C47H68N10O11 948.5069 NA PeJP NA NA +PJ095456 GGGALLLYW C47H68N10O11 948.507 NA PeJP NA NA +PJ095457 APMRRRY C40H68N16O9S 948.5076 NA PeJP NA NA +PJ095458 VFRRWW C48H64N14O7 948.5083 NA PeJP NA NA +PJ095459 SSSTQKRR C36H68N16O14 948.5101 NA PeJP NA NA +PJ095460 GTTLLKMW C44H72N10O11S 948.5103 NA PeJP NA NA +PJ095461 VVKFFFY C52H68N8O9 948.511 NA PeJP NA NA +PJ095462 STHHRRR C37H64N20O10 948.5115 NA PeJP NA NA +PJ095463 TTTLKKEE C40H72N10O16 948.5128 NA PeJP NA NA +PJ095464 GLLKKEMM C41H76N10O11S2 948.5137 NA PeJP NA NA +PJ095465 ASSSKKRW C41H68N14O12 948.5141 NA PeJP NA NA +PJ095466 GSSTKKRW C41H68N14O12 948.5142 NA PeJP NA NA +MJ098462 Patellin 5 C49H72N8O9S 948.514296 NA MeJP NA NA +PJ095467 PPVVLMFF C49H72N8O9S 948.5143 NA PeJP NA NA +PJ095468 LLHHHHR C42H64N18O8 948.5155 NA PeJP NA NA +PJ095469 GLLLLEEY C45H72N8O14 948.5168 NA PeJP NA NA +PJ095470 SSSLLMRR C38H72N14O12S 948.5175 NA PeJP NA NA +PJ095471 PVVLLMMF C46H76N8O9S2 948.5177 NA PeJP NA NA +PJ095472 SSKKKWW C46H68N12O10 948.5182 NA PeJP NA NA +PJ095473 PPMHRRR C39H68N18O8S 948.5189 NA PeJP NA NA +PJ095474 VVLLLMMM C43H80N8O9S3 948.5211 NA PeJP NA NA +PJ095475 TQKKKMW C43H72N12O10S 948.5215 NA PeJP NA NA +PJ095476 GATKKKMW C43H72N12O10S 948.5216 NA PeJP NA NA +PJ095477 GLLKFWW C51H68N10O8 948.5222 NA PeJP NA NA +PJ095478 TTTTLKER C39H72N12O15 948.524 NA PeJP NA NA +PJ095479 SSDKKKKE C39H72N12O15 948.5241 NA PeJP NA NA +PJ095480 GTLLKMMR C40H76N12O10S2 948.5249 NA PeJP NA NA +PJ095481 GLERRRY C40H68N16O11 948.5254 NA PeJP NA NA +PJ095482 PLKKMFW C48H72N10O8S 948.5256 NA PeJP NA NA +PJ095483 STTTLLKW C44H72N10O13 948.5281 NA PeJP NA NA +PJ095484 GSSKKMRR C37H72N16O11S 948.5288 NA PeJP NA NA +PJ095485 LLKKMMW C45H76N10O8S2 948.5289 NA PeJP NA NA +MJ098463 20,24-Epoxydammarane-3,6,12,25-tetrol, 6-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranosyl-(1?2)-?-D-glucopyranoside] C47H80O19 948.52938 NA MeJP NA NA +MJ098464 20,24-Epoxydammarane-3,6,12,25-tetrol, 6-O-[?-D-Glucopyranosyl-(1?6)-[?-D-xylopyranosyl-(1?2)]-?-D-glucopyranoside] C47H80O19 948.52938 NA MeJP NA NA +MJ098465 21,28-Epoxy-3,18,23,29-baccharanetetrol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 23-O-?-D-glucopyranoside C47H80O19 948.52938 NA MeJP NA NA +MJ098466 21,28-Epoxy-3,18,23,29-baccharanetetrol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 29-O-?-D-glucopyranoside C47H80O19 948.52938 NA MeJP NA NA +MJ098467 21-Baccharene-3,18,23,28,29-pentol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranoside C47H80O19 948.52938 NA MeJP NA NA +MJ098468 Antibiotic YL 02107Q-B C47H80O19 948.52938 NA MeJP NA NA +MJ098469 Cucurbit-5-ene-3,22,23,24,25-pentol, 3-O-[6-O-?-D-Glucopyranosyl-4-O-?-D-xylopyranosyl-?-D-glucopyranoside] C47H80O19 948.52938 NA MeJP NA NA +MJ098470 Cycloartane-3,16,20,24,25-pentol, 16-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside], 20-O-?-L-arabinopyranoside C47H80O19 948.52938 NA MeJP NA NA +MJ098471 Cycloartane-3,6,16,24,25-pentol, 3-O-?-D-Xylopyranoside, 16,25-di-O-?-D-glucopyranoside C47H80O19 948.52938 NA MeJP NA NA +MJ098472 Cycloartane-3,6,16,24,25-pentol, 3-O-?-D-Xylopyranoside, 6,24-di-O-?-D-glucopyranoside C47H80O19 948.52938 NA MeJP NA NA +MJ098473 Cycloartane-3,6,16,24,25-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside], 6-O-glucopyranoside C47H80O19 948.52938 NA MeJP NA NA +MJ098474 Dammar-23-ene-3,6,12,20,25-pentol, 6-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C47H80O19 948.52938 NA MeJP NA NA +MJ098475 Dammar-24-ene-3,6,12,17,20-pentol, 20-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 6-O-?-D-xylopyranoside C47H80O19 948.52938 NA MeJP NA NA +PJ095486 GVLRRYW C45H68N14O9 948.5294 NA PeJP NA NA +PJ095487 STLLKKEM C41H76N10O13S 948.5314 NA PeJP NA NA +PJ095488 LLLLEYW C49H72N8O11 948.5321 NA PeJP NA NA +PJ095489 TCKKKRW C42H72N14O9S 948.5328 NA PeJP NA NA +PJ095490 TTTTTLRR C38H72N14O14 948.5353 NA PeJP NA NA +PJ095491 SPLLLLMY C46H76N8O11S 948.5355 NA PeJP NA NA +PJ095492 QKKKMMR C39H76N14O9S2 948.5362 NA PeJP NA NA +PJ095493 GNKRRRY C39H68N18O10 948.5366 NA PeJP NA NA +PJ095494 GTTTKKKW C43H72N12O12 948.5393 NA PeJP NA NA +PJ095495 LRRRYW C44H68N16O8 948.5406 NA PeJP NA NA +PJ095496 PVVHRRW C44H68N16O8 948.5407 NA PeJP NA NA +PJ095497 STTLLKMR C40H76N12O12S 948.5427 NA PeJP NA NA +PJ095498 VLLQKYW C48H72N10O10 948.5433 NA PeJP NA NA +PJ095499 ALMFRRR C41H72N16O8S 948.544 NA PeJP NA NA +MJ098476 Actinoplanic acid C51H80O16 948.544636 NA MeJP NA NA +MJ098477 Antibiotic PF 1022; Antibiotic PF 1022A C52H76N4O12 948.545973 NA MeJP NA NA +PJ095500 SSSTKKRR C37H72N16O13 948.5465 NA PeJP NA NA +PJ095501 GPLLKKMY C45H76N10O10S 948.5467 NA PeJP NA NA +PJ095502 CKKKMRR C38H76N16O8S2 948.5474 NA PeJP NA NA +PJ095503 SSSTTLLLK C41H76N10O15 948.5492 NA PeJP NA NA +PJ095504 SVLLKKMM C42H80N10O10S2 948.5501 NA PeJP NA NA +PJ095505 VVKERRY C42H72N14O11 948.5505 NA PeJP NA NA +PJ095506 GGGALKKRY C42H72N14O11 948.5506 NA PeJP NA NA +PJ095507 SVLLLLEY C46H76N8O13 948.5532 NA PeJP NA NA +PJ095508 GTTKKKMR C39H76N14O11S 948.5539 NA PeJP NA NA +PJ095509 ALLKRYW C47H72N12O9 948.5546 NA PeJP NA NA +PJ095510 TKKKKMW C44H76N12O9S 948.5579 NA PeJP NA NA +PJ095511 STTKKKKE C40H76N12O14 948.5604 NA PeJP NA NA +PJ095512 GVKKKKMM C41H80N12O9S2 948.5613 NA PeJP NA NA +PJ095513 SVLRRRY C41H72N16O10 948.5618 NA PeJP NA NA +PJ095514 VTTILQKF C45H76N10O12 948.5644 NA PeJP NA NA +PJ095515 GVLLKKEY C45H76N10O12 948.5645 NA PeJP NA NA +MJ098478 Dammarane-3,12,20,24,25-pentol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] C48H84O18 948.565765 NA MeJP NA NA +PJ095516 GKKKFRW C46H72N14O8 948.5658 NA PeJP NA NA +PJ095517 APLLLLFY C50H76N8O10 948.5685 NA PeJP NA NA +PJ095518 VLKMFRR C43H76N14O8S 948.5692 NA PeJP NA NA +PJ095519 STTTKKKR C39H76N14O13 948.5717 NA PeJP NA NA +PJ095520 ALLLLLMY C47H80N8O10S 948.5719 NA PeJP NA NA +PJ095521 KKKKMMR C40H80N14O8S2 948.5725 NA PeJP NA NA +PJ095522 PQKKHRR C40H72N18O9 948.573 NA PeJP NA NA +PJ095523 LLKKERY C44H76N12O11 948.5757 NA PeJP NA NA +PJ095524 SSLKKKKM C41H80N12O11S 948.5791 NA PeJP NA NA +PJ095525 VLLKKYW C49H76N10O9 948.5797 NA PeJP NA NA +MJ098479 Sphinxolide F; 8-Demethoxy, 19-Me ether C52H84O15 948.581022 NA MeJP NA NA +PJ095526 GLLLKKMF C46H80N10O9S 948.5831 NA PeJP NA NA +PJ095527 TLLKRRY C43H76N14O10 948.5869 NA PeJP NA NA +PJ095528 TTLLLLLY C47H80N8O12 948.5896 NA PeJP NA NA +PJ095529 AKKKRRY C42H76N16O9 948.5982 NA PeJP NA NA +PJ095530 ATLLLKKY C46H80N10O11 948.6008 NA PeJP NA NA +PJ095531 VLLLLLEH C46H80N10O11 948.6009 NA PeJP NA NA +PJ095532 ALLLLLFF C51H80N8O9 948.6049 NA PeJP NA NA +PJ095533 VLLHRRR C41H76N18O8 948.6094 NA PeJP NA NA +PJ095534 AALKKKKY C45H80N12O10 948.6121 NA PeJP NA NA +PJ095535 VKKKKRY C44H80N14O9 948.6233 NA PeJP NA NA +PJ095536 GPPVLLLLK C47H84N10O10 948.6372 NA PeJP NA NA +PJ095537 PPLLLLKR C46H84N12O9 948.6485 NA PeJP NA NA +MJ098480 Blaberosides; Blaberoside IIa C51H96O15 948.674922 NA MeJP NA NA +HMDB11132 1,2-Dioctadecanoyl-3-(galactosyl-B-1-6-galactosyl-B-1)-glycerol C51H96O15 948.674927 NA HMDB2010 NA NA +HMDB10516 TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C63H96O6 948.720703 NA HMDB2010 NA NA +HMDB10538 TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C63H96O6 948.720703 NA HMDB2010 NA NA +HMDB10540 TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C63H96O6 948.720703 NA HMDB2010 NA NA +HMDB10555 TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] C63H96O6 948.720703 NA HMDB2010 NA NA +5391 ranalexin FLGGLIKIVPAMICAVTKKC 949.0807 MH2+ Inhouse_peptide NA peptide +PJ095538 GCCCCCDDE C30H47N9O16S5 949.1745 NA PeJP NA NA +PJ095539 CCCCCDDW C34H47N9O13S5 949.1897 NA PeJP NA NA +PJ095540 SSCCCCDDD C30H47N9O18S4 949.1922 NA PeJP NA NA +PJ095541 SPCCCCCCE C31H51N9O13S6 949.1931 NA PeJP NA NA +PJ095542 GCCCCCNNM C30H51N11O12S6 949.2043 NA PeJP NA NA +PJ095543 GGGGGCCCCCM C30H51N11O12S6 949.2044 NA PeJP NA NA +C11936 3-Isopropenylpimelyl-CoA C31H50N7O19P3S 949.2095 NA KEGG NA NA +PJ095544 GSCCCCDEM C31H51N9O15S5 949.2109 NA PeJP NA NA +PJ095545 GPCCCCCMM C32H55N9O10S7 949.2117 NA PeJP NA NA +PJ095546 SSCCCCCNQ C30H51N11O14S5 949.2221 NA PeJP NA NA +PJ095547 CCCNDDDY C34H47N9O17S3 949.2252 NA PeJP NA NA +PJ095548 GGCCCDDDY C34H47N9O17S3 949.2253 NA PeJP NA NA +PJ095549 SCCCCDMW C35H51N9O12S5 949.2261 NA PeJP NA NA +PJ095550 SSSCCCDDM C31H51N9O17S4 949.2286 NA PeJP NA NA +PJ095551 CCCNDMMM C32H55N9O12S6 949.2295 NA PeJP NA NA +PJ095552 GSSSSCCCCN C30H51N11O16S4 949.2398 NA PeJP NA NA +PJ095553 GGGSSSSCCCC C30H51N11O16S4 949.2399 NA PeJP NA NA +PJ095554 CCCCCEMR C31H55N11O11S6 949.2407 NA PeJP NA NA +PJ095555 GSPCCCCDY C35H51N9O14S4 949.2439 NA PeJP NA NA +PJ095556 ACCCCMMW C36H55N9O9S6 949.2447 NA PeJP NA NA +PJ095557 GSSCCCEMM C32H55N9O14S5 949.2472 NA PeJP NA NA +PJ095558 CCCCNMHH C33H51N13O10S5 949.2486 NA PeJP NA NA +PJ095559 CCNDDDEH C33H47N11O18S2 949.2542 NA PeJP NA NA +PJ095560 GGCCDDDEH C33H47N11O18S2 949.2543 NA PeJP NA NA +PJ095561 CCCCNNQY C34H51N11O13S4 949.2551 NA PeJP NA NA +C11540 Cobalt-precorrin 4 C44H50CoN4O16 949.2554 NA KEGG NA NA +PJ095562 SSCCCCCNK C31H55N11O13S5 949.2585 NA PeJP NA NA +PJ095563 GCCCCEFW C39H51N9O11S4 949.2591 NA PeJP NA NA +FL7AACGA0011 Cyanidin 3-[6-(6-sinapylglucosyl)-2-xylosylgalactoside] C43H49O24 949.26137 88902-81-2 knapsack NA NA +FL7AACGL0068 Cyanidin 3-(6''-ferulylsophoroside)-5-glucoside C43H49O24 949.26137 107500-82-3<BR>29013-15-8 knapsack NA NA +FL7AACGL0086 Cyanidin 3-O-[2''-O-(2'''-O-(sinapoyl) xylosyl) glucoside] 5-O-glucoside C43H49O24 949.26137 - knapsack NA NA +FL7AADGL0020 Peonidin 3-[6-(3-glucosylcaffeyl)glucoside]-5-glucoside C43H49O24 949.26137 154850-22-3 knapsack NA NA +FL7AADGL0022 Peonidin 3-(6''-caffeylsophoroside)-5-glucoside C43H49O24 949.26137 140447-88-7 knapsack NA NA +FL7AAGGA0009 Delphinidin 3-robinobioside-5-(6-(E)-ferulylglucoside) C43H49O24 949.26137 151677-01-9 knapsack NA NA +FL7AAHGL0018 Petunidin 3-O-[6-O-(4-O-(E)-caffeoyl-O-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside C43H49O24 949.26137 232617-23-1 knapsack NA NA +PJ095564 SCCNDDMY C35H51N9O16S3 949.2616 NA PeJP NA NA +PJ095565 SSCCCMMW C36H55N9O11S5 949.2625 NA PeJP NA NA +PJ095566 SSSSCCDMM C32H55N9O16S4 949.265 NA PeJP NA NA +PJ095567 SCCNMMMM C33H59N9O11S6 949.2659 NA PeJP NA NA +PJ095568 GSTCCCCHH C33H51N13O12S4 949.2663 NA PeJP NA NA +PJ095569 GGGPCCCCNH C33H51N13O12S4 949.2664 NA PeJP NA NA +PJ095570 GCCDDDHW C37H47N11O15S2 949.2695 NA PeJP NA NA +PJ095571 GSSCDDDDH C33H47N11O20S 949.272 NA PeJP NA NA +PJ095572 GSSCCCNNY C34H51N11O15S3 949.2729 NA PeJP NA NA +PJ095573 PCCCCCRY C35H55N11O10S5 949.2737 NA PeJP NA NA +PJ095574 CCCCFWW C43H51N9O8S4 949.2744 NA PeJP NA NA +PJ095575 GSCCCEYW C39H51N9O13S3 949.2769 NA PeJP NA NA +PJ095576 TCCCCMMR C32H59N11O10S6 949.2771 NA PeJP NA NA +PJ095577 GSPDDDDDD C34H47N9O23 949.2785 NA PeJP NA NA +PJ095578 GSSSCCDEY C35H51N9O18S2 949.2794 NA PeJP NA NA +PJ095579 GCCNEMMY C36H55N9O13S4 949.2803 NA PeJP NA NA +MJ098481 Lauroyl-CoA C33H58N7O17P3S 949.282273 NA MeJP NA NA +MetaCyc04341 lauroyl-CoA [Dodecanoyl-CoA (n-C12:0CoA);lauroyl coenzyme A;dodecanoyl-CoA;] C33H58N7O17P3S1 949.282274 6244-92-4 metacyc NA NA +HMDB03571 Lauroyl-CoA C33H58N7O17P3S 949.282288 NA HMDB2010 NA NA +HMDB03571 Lauroyl-CoA C33H58N7O17P3S 949.28229 http://www.hmdb.ca/metabolites/HMDB03571 HMDB NA NA +HMDB03571 Lauroyl-CoA C33H58N7O17P3S 949.28229 HMDB03571 PFEM_hmdb_metabocards_official NA NA +C01832 Lauroyl-CoA C33H58N7O17P3S 949.2823 NA KEGG NA NA +FL7AAHGL0007 Ophionin C40H53O26 949.2825 75041-46-2 knapsack NA NA +PJ095580 GSSTCCMMM C33H59N9O13S5 949.2836 NA PeJP NA NA +PJ095581 SSSSCCCHH C33H51N13O14S3 949.2841 NA PeJP NA NA +PJ095582 SPCCCDHW C38H51N11O12S3 949.2881 NA PeJP NA NA +PJ095583 NNNDDDDE C33H47N11O22 949.2898 NA PeJP NA NA +PJ095584 SCNDDEMH C34H51N11O17S2 949.2906 NA PeJP NA NA +PJ095585 GCCCDMRY C35H55N11O12S4 949.2915 NA PeJP NA NA +PJ095586 SCCCYWW C43H51N9O10S3 949.2921 NA PeJP NA NA +PJ095587 SSSCCDYW C39H51N9O15S2 949.2946 NA PeJP NA NA +PJ095588 PPCCDDDW C39H51N9O15S2 949.2947 NA PeJP NA NA +PJ095589 CCNMMYW C40H55N9O10S4 949.2955 NA PeJP NA NA +PJ095590 SSSSSCDDY C35H51N9O20S 949.2971 NA PeJP NA NA +PJ095591 PNDDDDEM C35H51N9O20S 949.2972 NA PeJP NA NA +PJ095592 SSCNDMMY C36H55N9O15S3 949.298 NA PeJP NA NA +PJ095593 PCCCCKMY C37H59N9O10S5 949.2989 NA PeJP NA NA +PJ095594 GCCCNQHW C37H51N13O11S3 949.2994 NA PeJP NA NA +PJ095595 DDDEMYY C40H51N7O18S 949.3012 NA PeJP NA NA +PJ095596 SSSSSCMMM C33H59N9O15S4 949.3014 NA PeJP NA NA +PJ095597 SCCDDDHR C33H51N13O16S2 949.3019 NA PeJP NA NA +PJ095598 TCCCKMMM C34H63N9O10S6 949.3023 NA PeJP NA NA +PJ095599 PCCCCEHR C34H55N13O11S4 949.3027 NA PeJP NA NA +PJ095600 GNNDDDDW C37H47N11O19 949.305 NA PeJP NA NA +PJ095601 DEMMMMY C38H59N7O13S4 949.3054 NA PeJP NA NA +PJ095602 GSCDDMHW C38H51N11O14S2 949.3059 NA PeJP NA NA +PJ095603 APCCCMHW C39H55N11O9S4 949.3068 NA PeJP NA NA +PJ095604 PCDDDDDR C34H51N11O19S 949.3084 NA PeJP NA NA +PJ095605 SSCCCERY C35H55N11O14S3 949.3092 NA PeJP NA NA +PJ095606 GNDDMMMH C35H55N11O14S3 949.3093 NA PeJP NA NA +PJ095607 CCNDFYW C43H51N9O12S2 949.3099 NA PeJP NA NA +PJ095608 GCCCMMFR C36H59N11O9S5 949.3101 NA PeJP NA NA +PJ095609 PCCCNHHH C36H51N15O10S3 949.3106 NA PeJP NA NA +PJ095610 GPDDDDMW C39H51N9O17S 949.3124 NA PeJP NA NA +PJ095611 GSTCCMYW C40H55N9O12S3 949.3133 NA PeJP NA NA +PJ095612 GNDEEEEE C35H51N9O22 949.3149 NA PeJP NA NA +PJ095613 GSSSSCEMY C36H55N9O17S2 949.3158 NA PeJP NA NA +PJ095614 GSCQMMMY C37H59N9O12S4 949.3166 NA PeJP NA NA +PJ095615 APPPCCCEM C37H59N9O12S4 949.3167 NA PeJP NA NA +PJ095616 SSCCNNHW C37H51N13O13S2 949.3171 NA PeJP NA NA +PJ095617 SSSSCNNDH C33H51N13O18S 949.3196 NA PeJP NA NA +PJ095618 GGGGGGGGGGDDM C33H51N13O18S 949.3197 NA PeJP NA NA +PJ095619 DDEMMFY C41H55N7O15S2 949.3198 NA PeJP NA NA +PJ095620 GCCDEMHR C34H55N13O13S3 949.3205 NA PeJP NA NA +PJ095621 SCCEHWW C42H51N11O11S2 949.3211 NA PeJP NA NA +PJ095622 SSSCDEHW C38H51N11O16S 949.3236 NA PeJP NA NA +PJ095623 GGGGSPCDDW C38H51N11O16S 949.3237 NA PeJP NA NA +PJ095624 EMMMMMF C39H63N7O10S5 949.324 NA PeJP NA NA +PJ095625 CNEMMHW C39H55N11O11S3 949.3245 NA PeJP NA NA +PJ095626 SSSSSDDEH C34H51N11O21 949.3261 NA PeJP NA NA +PJ095627 GDDDDEER C34H51N11O21 949.3262 NA PeJP NA NA +PJ095628 SSNDEMMH C35H55N11O16S2 949.327 NA PeJP NA NA +PJ095629 SCNDYYW C43H51N9O14S 949.3276 NA PeJP NA NA +PJ095630 PCDDEWW C43H51N9O14S 949.3277 NA PeJP NA NA +PJ095631 GSCCMMRY C36H59N11O11S4 949.3279 NA PeJP NA NA +PJ095632 GCNDMHHH C36H51N15O12S2 949.3284 NA PeJP NA NA +PJ095633 CCNMFFW C44H55N9O9S3 949.3285 NA PeJP NA NA +PJ095634 SSSNDDYY C39H51N9O19 949.3301 NA PeJP NA NA +PJ095635 NDEEEEW C39H51N9O19 949.3302 NA PeJP NA NA +PJ095636 GSCNNNNNN C32H51N15O17S 949.3308 NA PeJP NA NA +PJ095637 GGGGGSCNNNN C32H51N15O17S 949.3309 NA PeJP NA NA +PJ095638 SSSSCMYW C40H55N9O14S2 949.331 NA PeJP NA NA +PJ095639 SCCCNQHR C33H55N15O12S3 949.3317 NA PeJP NA NA +PJ095640 PCCCCKFF C41H59N9O9S4 949.3319 NA PeJP NA NA +PJ095641 SSSSSSDMY C36H55N9O19S 949.3335 NA PeJP NA NA +PJ095642 PDDDYYY C44H51N7O17 949.3342 NA PeJP NA NA +PJ095643 SSSNMMMY C37H59N9O14S3 949.3344 NA PeJP NA NA +PJ095644 GCNNNNEW C37H51N13O15S 949.3349 NA PeJP NA NA +PJ095645 GCCKMMMF C38H63N9O9S5 949.3353 NA PeJP NA NA +PJ095646 CCDMHRW C38H55N13O10S3 949.3357 NA PeJP NA NA +PJ095647 GGGCCCKHW C38H55N13O10S3 949.3358 NA PeJP NA NA +PJ095648 SNNDDDDR C33H51N13O20 949.3374 NA PeJP NA NA +PJ095649 SEEEMYY C41H55N7O17S 949.3375 NA PeJP NA NA +PJ095650 SSCDDMHR C34H55N13O15S2 949.3382 NA PeJP NA NA +PJ095651 GGGGPCCDER C34H55N13O15S2 949.3383 NA PeJP NA NA +PJ095652 PDMMMYY C42H59N7O12S3 949.3384 NA PeJP NA NA +PJ095653 CNDEHFW C42H51N11O13S 949.3389 NA PeJP NA NA +PJ095654 PTCCCMHR C35H59N13O10S4 949.3391 NA PeJP NA NA +PJ095655 GCMMHWW C43H55N11O8S3 949.3398 NA PeJP NA NA +PJ095656 DDDDERW C38H51N11O18 949.3414 NA PeJP NA NA +PJ095657 GSSDMMHW C39H55N11O13S2 949.3423 NA PeJP NA NA +PJ095658 CCQHHHW C40H51N15O9S2 949.3436 NA PeJP NA NA +PJ095659 SPDDDDMR C35H55N11O18S 949.3448 NA PeJP NA NA +PJ095660 GDEEEWW C43H51N9O16 949.3454 NA PeJP NA NA +PJ095661 SSTCCMRY C36H59N11O13S3 949.3456 NA PeJP NA NA +PJ095662 GGGGGSPPCMM C36H59N11O13S3 949.3457 NA PeJP NA NA +PJ095663 SSCNEHHH C36H51N15O14S 949.3461 NA PeJP NA NA +PJ095664 GCQMYYW C44H55N9O11S2 949.3463 NA PeJP NA NA +PJ095665 GSPDEEMW C40H55N9O16S 949.3488 NA PeJP NA NA +PJ095666 GSSSCCNHR C33H55N15O14S2 949.3495 NA PeJP NA NA +PJ095667 NNMMMFY C41H59N9O11S3 949.3496 NA PeJP NA NA +PJ095668 GPPCEMMW C41H59N9O11S3 949.3497 NA PeJP NA NA +PJ095669 CNNNNWW C41H51N13O12S 949.3501 NA PeJP NA NA +PJ095670 GGGGGGGGCWW C41H51N13O12S 949.3502 NA PeJP NA NA +PJ095671 GTQEEEEE C36H55N9O21 949.3513 NA PeJP NA NA +PJ095672 GSSSSTMMY C37H59N9O16S2 949.3521 NA PeJP NA NA +PJ095673 GPQEEEMM C37H59N9O16S2 949.3522 NA PeJP NA NA +PJ095674 SSNNNNDW C37H51N13O17 949.3526 NA PeJP NA NA +PJ095675 GGGGGGGGSSDW C37H51N13O17 949.3527 NA PeJP NA NA +PJ095676 PDDMFYY C45H55N7O14S 949.3528 NA PeJP NA NA +PJ095677 GSCKMMMY C38H63N9O11S4 949.353 NA PeJP NA NA +PJ095678 GPCCNDRW C38H55N13O12S2 949.3535 NA PeJP NA NA +PJ095679 GCDHFWW C46H51N11O10S 949.3541 NA PeJP NA NA +PJ095680 GNNDDEMR C34H55N13O17S 949.356 NA PeJP NA NA +PJ095681 VDEMMYY C42H59N7O14S2 949.3562 NA PeJP NA NA +PJ095682 SNNDEWW C42H51N11O15 949.3566 NA PeJP NA NA +PJ095683 GGSNDEWW C42H51N11O15 949.3567 NA PeJP NA NA +PJ095684 GSCEMMHR C35H59N13O12S3 949.3569 NA PeJP NA NA +PJ095685 PMMMMFY C43H63N7O9S4 949.357 NA PeJP NA NA +PJ095686 STCMHWW C43H55N11O10S2 949.3575 NA PeJP NA NA +PJ095687 SSSSEMHW C39H55N11O15S 949.36 NA PeJP NA NA +PJ095688 LMMMMMY C40H67N7O9S5 949.3604 NA PeJP NA NA +PJ095689 DEEWWW C47H51N9O13 949.3607 NA PeJP NA NA +PJ095690 SQMMMHW C40H59N11O10S3 949.3609 NA PeJP NA NA +PJ095691 GSSCHHHW C40H51N15O11S 949.3614 NA PeJP NA NA +PJ095692 CCHFFFF C48H55N9O8S2 949.3615 NA PeJP NA NA +PJ095693 GSDEEEER C35H55N11O20 949.3625 NA PeJP NA NA +MJ098482 2,5-Dibromo-3,6-bis(2,3,5-tribromo-4-hydroxyphenoxy)-1,4-benzenediol C18H6Br8O6 949.363139 NA MeJP NA NA +PJ095694 GPDDEMMR C36H59N11O15S2 949.3634 NA PeJP NA NA +PJ095695 GSSSSDHHH C36H51N15O16 949.3639 NA PeJP NA NA +PJ095696 SPDEMWW C44H55N9O13S 949.364 NA PeJP NA NA +PJ095697 GPPCDEFW C44H55N9O13S 949.3641 NA PeJP NA NA +PJ095698 AAQMMMMH C37H63N11O10S4 949.3643 NA PeJP NA NA +PJ095699 GCCNNHFR C37H55N15O11S2 949.3647 NA PeJP NA NA +PJ095700 GGGGGCCHFR C37H55N15O11S2 949.3648 NA PeJP NA NA +PJ095701 PPCMMWW C45H59N9O8S3 949.3649 NA PeJP NA NA +PJ095702 TQEEEEW C40H55N9O18 949.3665 NA PeJP NA NA +PJ095703 GATEEEEW C40H55N9O18 949.3666 NA PeJP NA NA +PJ095704 GCNDDDRR C33H55N15O16S 949.3672 NA PeJP NA NA +PJ095705 GGGGGGSCNER C33H55N15O16S 949.3673 NA PeJP NA NA +PJ095706 PQEEMMW C41H59N9O13S2 949.3674 NA PeJP NA NA +PJ095707 GSPDDHHW C41H51N13O14 949.3679 NA PeJP NA NA +PJ095708 SCCCNKHR C34H59N15O11S3 949.3681 NA PeJP NA NA +PJ095709 APPCCHHW C42H55N13O9S2 949.3688 NA PeJP NA NA +PJ095710 SSSSSTTMY C37H59N9O18S 949.3699 NA PeJP NA NA +PJ095711 SPEEYYY C45H55N7O16 949.3705 NA PeJP NA NA +PJ095712 PTDEYYY C45H55N7O16 949.3706 NA PeJP NA NA +PJ095713 SSTCKMMY C38H63N9O13S3 949.3708 NA PeJP NA NA +PJ095714 GSNNNQMW C38H55N13O14S 949.3712 NA PeJP NA NA +PJ095715 NNDDMRW C38H55N13O14S 949.3713 NA PeJP NA NA +PJ095716 PDMMFFY C46H59N7O11S2 949.3714 NA PeJP NA NA +PJ095717 GSNDWWW C46H51N11O12 949.3719 NA PeJP NA NA +PJ095718 SCMMHRW C39H59N13O9S3 949.3721 NA PeJP NA NA +PJ095719 DMHHHHH C39H51N17O10S 949.3726 NA PeJP NA NA +PJ095720 GSSSSSSSQH C34H55N13O19 949.3737 NA PeJP NA NA +PJ095721 SSNNDEER C34H55N13O19 949.3738 NA PeJP NA NA +PJ095722 SSSDMMHR C35H59N13O14S2 949.3746 NA PeJP NA NA +PJ095723 GGGGGGGAAQMM C35H59N13O14S2 949.3747 NA PeJP NA NA +PJ095724 VEMMMFY C43H63N7O11S3 949.3748 NA PeJP NA NA +PJ095725 SNNNNNHH C35H51N17O15 949.3751 NA PeJP NA NA +PJ095726 GNQEMWW C43H55N11O12S 949.3753 NA PeJP NA NA +PJ095727 NMMMMHR C36H63N13O9S4 949.3755 NA PeJP NA NA +PJ095728 GTCCHHHR C36H55N17O10S2 949.376 NA PeJP NA NA +PJ095729 SDEEERW C39H55N11O17 949.3778 NA PeJP NA NA +PJ095730 PCEEMRW C40H59N11O12S2 949.3786 NA PeJP NA NA +PJ095731 PDDMMRW C40H59N11O12S2 949.3787 NA PeJP NA NA +PJ095732 NNNEHHW C40H51N15O13 949.3791 NA PeJP NA NA +PJ095733 PPCDFWW C48H55N9O10S 949.3793 NA PeJP NA NA +PJ095734 CCKHHHW C41H55N15O8S2 949.38 NA PeJP NA NA +PJ095735 GSSTTTEMH C36H59N11O17S 949.3811 NA PeJP NA NA +MJ098483 Albomycin; Albomycin ? C36H59N11O17S 949.38111 NA MeJP NA NA +PJ095736 QEEEEMR C36H59N11O17S 949.3812 NA PeJP NA NA +PJ095737 ATEEEWW C44H55N9O15 949.3818 NA PeJP NA NA +PJ095738 SPPCEMMR C37H63N11O12S3 949.382 NA PeJP NA NA +PJ095739 GSCNNNRW C37H55N15O13S 949.3825 NA PeJP NA NA +PJ095740 APEMMWW C45H59N9O10S2 949.3827 NA PeJP NA NA +PJ095741 GSSSNNNDR C33H55N15O18 949.385 NA PeJP NA NA +PJ095742 VQEEEMW C41H59N9O15S 949.3852 NA PeJP NA NA +PJ095743 PDDFFFY C49H55N7O13 949.3858 NA PeJP NA NA +PJ095744 SPCCNDRR C34H59N15O13S2 949.3859 NA PeJP NA NA +PJ095745 GPPTMMMW C42H63N9O10S3 949.386 NA PeJP NA NA +PJ095746 GAPPPCMMF C42H63N9O10S3 949.3861 NA PeJP NA NA +PJ095747 GCNERWW C42H55N13O11S 949.3865 NA PeJP NA NA +PJ095748 GTKEEEEE C37H59N9O20 949.3877 NA PeJP NA NA +PJ095749 SPVQEEMM C38H63N9O15S2 949.3885 NA PeJP NA NA +PJ095750 GPKEEEMM C38H63N9O15S2 949.3886 NA PeJP NA NA +PJ095751 GSSNDERW C38H55N13O16 949.389 NA PeJP NA NA +PJ095752 GGGGGGGGGAAEF C38H55N13O16 949.3891 NA PeJP NA NA +PJ095753 PVDMYYY C46H59N7O13S 949.3892 NA PeJP NA NA +PJ095754 PPVNMMMM C39H67N9O10S4 949.3894 NA PeJP NA NA +PJ095755 GSPCNMRW C39H59N13O11S2 949.3899 NA PeJP NA NA +PJ095756 PMMMFFF C47H63N7O8S3 949.3901 NA PeJP NA NA +PJ095757 GPNDHHHH C39H51N17O12 949.3904 NA PeJP NA NA +PJ095758 NQMWWW C47H55N11O9S 949.3905 NA PeJP NA NA +PJ095759 DDEEMRR C35H59N13O16S 949.3924 NA PeJP NA NA +PJ095760 TLEMMYY C43H63N7O13S2 949.3926 NA PeJP NA NA +PJ095761 SSQQEWW C43H55N11O14 949.393 NA PeJP NA NA +PJ095762 GGGGGAPEYW C43H55N11O14 949.3931 NA PeJP NA NA +PJ095763 GSTMMMHR C36H63N13O11S3 949.3933 NA PeJP NA NA +PJ095764 LMMMMFF C44H67N7O8S4 949.3934 NA PeJP NA NA +PJ095765 SSSCHHHR C36H55N17O12S 949.3937 NA PeJP NA NA +PJ095766 PCCQKWW C44H59N11O9S2 949.3939 NA PeJP NA NA +PJ095767 GNNHHWW C44H51N15O10 949.3944 NA PeJP NA NA +PJ095768 AEEEMRW C40H59N11O14S 949.3964 NA PeJP NA NA +PJ095769 QQYYYW C48H55N9O12 949.397 NA PeJP NA NA +PJ095770 SPPDYWW C48H55N9O12 949.3971 NA PeJP NA NA +PJ095771 SKMMMHW C41H63N11O9S3 949.3973 NA PeJP NA NA +PJ095772 NQMHHHF C41H55N15O10S 949.3977 NA PeJP NA NA +PJ095773 PCDHHRW C41H55N15O10S 949.3978 NA PeJP NA NA +PJ095774 GTTEEEER C36H59N11O19 949.3989 NA PeJP NA NA +PJ095775 GPTEEMMR C37H63N11O14S2 949.3998 NA PeJP NA NA +PJ095776 GNNNNDFR C37H55N15O15 949.4002 NA PeJP NA NA +PJ095777 GGGNNNDFR C37H55N15O15 949.4003 NA PeJP NA NA +PJ095778 GLEEMWW C45H59N9O12S 949.4004 NA PeJP NA NA +PJ095779 GPPMMMMR C38H67N11O9S4 949.4007 NA PeJP NA NA +PJ095780 CCEHFRR C38H59N15O10S2 949.4011 NA PeJP NA NA +PJ095781 CNRWWW C46H55N13O8S 949.4018 NA PeJP NA NA +PJ095782 TKEEEEW C41H59N9O17 949.4029 NA PeJP NA NA +PJ095783 GSNDDMRR C34H59N15O15S 949.4036 NA PeJP NA NA +PJ095784 PKEEMMW C42H63N9O12S2 949.4038 NA PeJP NA NA +PJ095785 SSNDRWW C42H55N13O13 949.4043 NA PeJP NA NA +PJ095786 GPCCQMRR C35H63N15O10S3 949.4045 NA PeJP NA NA +PJ095787 ACMHFRW C43H59N13O8S2 949.4051 NA PeJP NA NA +PJ095788 GVKEEEEM C38H63N9O17S 949.4063 NA PeJP NA NA +PJ095789 ALEEYYY C46H59N7O15 949.4069 NA PeJP NA NA +PJ095790 SPPKEMMM C39H67N9O12S3 949.4072 NA PeJP NA NA +PJ095791 SNQEMRW C39H59N13O13S 949.4076 NA PeJP NA NA +PJ095792 GGGGTEMRW C39H59N13O13S 949.4077 NA PeJP NA NA +PJ095793 PVMMFYY C47H63N7O10S2 949.4078 NA PeJP NA NA +PJ095794 GSTQWWW C47H55N11O11 949.4083 NA PeJP NA NA +PJ095795 CNHHHFR C40H55N17O9S 949.409 NA PeJP NA NA +PJ095796 SSSQQEER C35H59N13O18 949.4101 NA PeJP NA NA +PJ095797 GGGGSTTEER C35H59N13O18 949.4102 NA PeJP NA NA +PJ095798 SSTTMMHR C36H63N13O13S2 949.411 NA PeJP NA NA +PJ095799 VLMMMYY C44H67N7O10S3 949.4112 NA PeJP NA NA +PJ095800 DDDHHRR C36H55N17O14 949.4115 NA PeJP NA NA +PJ095801 ATQQMWW C44H59N11O11S 949.4116 NA PeJP NA NA +PJ095802 GNKEMWW C44H59N11O11S 949.4117 NA PeJP NA NA +PJ095803 PEFWWW C52H55N9O9 949.4123 NA PeJP NA NA +PJ095804 SSSLNQEW C40H59N11O16 949.4141 NA PeJP NA NA +PJ095805 TTEEERW C40H59N11O16 949.4142 NA PeJP NA NA +PJ095806 SSCNNNRR C33H59N17O14S 949.4148 NA PeJP NA NA +PJ095807 GGSSCNNRR C33H59N17O14S 949.4149 NA PeJP NA NA +PJ095808 PTEMMRW C41H63N11O11S2 949.415 NA PeJP NA NA +PJ095809 GGGGAALMMW C41H63N11O11S2 949.4151 NA PeJP NA NA +PJ095810 GEEHHRW C41H55N15O12 949.4155 NA PeJP NA NA +PJ095811 LEMWWW C49H59N9O9S 949.4157 NA PeJP NA NA +PJ095812 KEEEEMR C37H63N11O16S 949.4175 NA PeJP NA NA +PJ095813 GGGDKKEEM C37H63N11O16S 949.4176 NA PeJP NA NA +PJ095814 STLEEWW C45H59N9O14 949.4182 NA PeJP NA NA +PJ095815 GPVEMMMR C38H67N11O11S3 949.4184 NA PeJP NA NA +PJ095816 SCNERRW C38H59N15O12S 949.4189 NA PeJP NA NA +PJ095817 SPLMMWW C46H63N9O9S2 949.4191 NA PeJP NA NA +PJ095818 GVEHHWW C46H55N13O10 949.4195 NA PeJP NA NA +PJ095819 SSSNDERR C34H59N15O17 949.4214 NA PeJP NA NA +PJ095820 GSTTKMYY C42H63N9O14S 949.4215 NA PeJP NA NA +PJ095821 VKEEEMW C42H63N9O14S 949.4216 NA PeJP NA NA +PJ095822 PPTFYYY C50H59N7O12 949.4222 NA PeJP NA NA +PJ095823 GGNEMMRR C35H63N15O12S2 949.4223 NA PeJP NA NA +PJ095824 AAPLMMMW C43H67N9O9S3 949.4224 NA PeJP NA NA +PJ095825 GSQMRWW C43H59N13O10S 949.4229 NA PeJP NA NA +PJ095826 QHFFWW C51H55N11O8 949.4235 NA PeJP NA NA +PJ095827 GAHFFWW C51H55N11O8 949.4236 NA PeJP NA NA +PJ095828 SSSPTTLEE C38H63N9O19 949.424 NA PeJP NA NA +PJ095829 SSLKEEEE C38H63N9O19 949.4241 NA PeJP NA NA +PJ095830 SPVKEEMM C39H67N9O14S2 949.4249 NA PeJP NA NA +PJ095831 GSSTQERW C39H59N13O15 949.4254 NA PeJP NA NA +PJ095832 PTLMYYY C47H63N7O12S 949.4256 NA PeJP NA NA +PJ095833 PPCLKMMM C40H71N9O9S4 949.4258 NA PeJP NA NA +PJ095834 AQQMMRW C40H63N13O10S2 949.4263 NA PeJP NA NA +PJ095835 SNNHHRW C40H55N17O11 949.4267 NA PeJP NA NA +PJ095836 GGGGSHHRW C40H55N17O11 949.4268 NA PeJP NA NA +PJ095837 NKMWWW C48H59N11O8S 949.4269 NA PeJP NA NA +PJ095838 TEEEMRR C36H63N13O15S 949.4288 NA PeJP NA NA +PJ095839 SSQKEWW C44H59N11O13 949.4294 NA PeJP NA NA +PJ095840 PEMMMRR C37H67N13O10S3 949.4296 NA PeJP NA NA +PJ095841 GGAPCKMMR C37H67N13O10S3 949.4297 NA PeJP NA NA +PJ095842 NQQMHHR C37H59N17O11S 949.4301 NA PeJP NA NA +PJ095843 PCCKKWW C45H63N11O8S2 949.4303 NA PeJP NA NA +PJ095844 EHHRWW C45H55N15O9 949.4308 NA PeJP NA NA +PJ095845 SLEEMRW C41H63N11O13S 949.4328 NA PeJP NA NA +PJ095846 GPLEYWW C49H59N9O11 949.4334 NA PeJP NA NA +PJ095847 GAPPEFFW C49H59N9O11 949.4335 NA PeJP NA NA +PJ095848 PVMMMRW C42H67N11O8S3 949.4337 NA PeJP NA NA +PJ095849 GSCRRWW C42H59N15O9S 949.4341 NA PeJP NA NA +PJ095850 VHHWWW C50H55N13O7 949.4348 NA PeJP NA NA +PJ095851 SSTLEEER C37H63N11O18 949.4353 NA PeJP NA NA +PJ095852 AALEEMMR C38H67N11O13S2 949.4362 NA PeJP NA NA +PJ095853 GSSSDRRW C38H59N15O14 949.4366 NA PeJP NA NA +PJ095854 GGGGGGAAQRY C38H59N15O14 949.4367 NA PeJP NA NA +PJ095855 SVLEMWW C46H63N9O11S 949.4368 NA PeJP NA NA +PJ095856 GNMMRRW C39H63N15O9S2 949.4375 NA PeJP NA NA +PJ095857 SSSLLEEW C42H63N9O16 949.4393 NA PeJP NA NA +PJ095858 GSSQEMRR C35H63N15O14S 949.44 NA PeJP NA NA +PJ095859 LLQEMMW C43H67N9O11S2 949.4402 NA PeJP NA NA +PJ095860 SSTQRWW C43H59N13O12 949.4406 NA PeJP NA NA +PJ095861 GGSTTRWW C43H59N13O12 949.4407 NA PeJP NA NA +PJ095862 PVMFFFY C51H63N7O9S 949.4408 NA PeJP NA NA +PJ095863 GPCCKMRR C36H67N15O9S3 949.4409 NA PeJP NA NA +PJ095864 CNQHHRR C36H59N19O10S 949.4413 NA PeJP NA NA +PJ095865 GGCQHHRR C36H59N19O10S 949.4414 NA PeJP NA NA +PJ095866 VHHHHHF C44H55N17O8 949.442 NA PeJP NA NA +PJ095867 ATLKEEEM C39H67N9O16S 949.4427 NA PeJP NA NA +PJ095868 SLLEYYY C47H63N7O14 949.4433 NA PeJP NA NA +PJ095869 APLKEMMM C40H71N9O11S3 949.4436 NA PeJP NA NA +PJ095870 SNKEMRW C40H63N13O12S 949.444 NA PeJP NA NA +PJ095871 GGGGGAPPLMH C40H63N13O12S 949.4441 NA PeJP NA NA +PJ095872 VLMMFFY C48H67N7O9S2 949.4442 NA PeJP NA NA +PJ095873 GSTKWWW C48H59N11O10 949.4447 NA PeJP NA NA +PJ095874 SSSQKEER C36H63N13O17 949.4465 NA PeJP NA NA +PJ095875 VEEMMRR C37H67N13O12S2 949.4474 NA PeJP NA NA +PJ095876 NNNNRRY C37H59N17O13 949.4479 NA PeJP NA NA +PJ095877 ATQKMWW C45H63N11O10S 949.448 NA PeJP NA NA +PJ095878 GDKKMWW C45H63N11O10S 949.4481 NA PeJP NA NA +PJ095879 PLYWWW C53H59N9O8 949.4487 NA PeJP NA NA +PJ095880 GTTTQKEW C41H63N11O15 949.4505 NA PeJP NA NA +PJ095881 GSSKKEEW C41H63N11O15 949.4506 NA PeJP NA NA +PJ095882 GSSCERRR C34H63N17O13S 949.4512 NA PeJP NA NA +PJ095883 VVEMMRW C42H67N11O10S2 949.4514 NA PeJP NA NA +PJ095884 GNDFRRW C42H59N15O11 949.4519 NA PeJP NA NA +PJ095885 APLMFWW C50H63N9O8S 949.4521 NA PeJP NA NA +PJ095886 ATTLEEMR C38H67N11O15S 949.4539 NA PeJP NA NA +PJ095887 PVKEEYW C46H63N9O13 949.4546 NA PeJP NA NA +PJ095888 APTLMMMR C39H71N11O10S3 949.4548 NA PeJP NA NA +PJ095889 STMHRRY C39H63N15O11S 949.4552 NA PeJP NA NA +PJ095890 SSQMRRW C39H63N15O11S 949.4553 NA PeJP NA NA +PJ095891 ALLMMWW C47H67N9O8S2 949.4554 NA PeJP NA NA +PJ095892 QQFRWW C47H59N13O9 949.4559 NA PeJP NA NA +PJ095893 SSSTQERR C35H63N15O16 949.4578 NA PeJP NA NA +PJ095894 GTTLLEMW C43H67N9O13S 949.4579 NA PeJP NA NA +PJ095895 GGAPLLEMY C43H67N9O13S 949.458 NA PeJP NA NA +PJ095896 PVVFYYY C51H63N7O11 949.4586 NA PeJP NA NA +PJ095897 GGGGGCKKMR C36H67N15O11S2 949.4587 NA PeJP NA NA +PJ095898 GSSNHHRR C36H59N19O12 949.4591 NA PeJP NA NA +PJ095899 GSKMRWW C44H63N13O9S 949.4593 NA PeJP NA NA +PJ095900 KHFFWW C52H59N11O7 949.4599 NA PeJP NA NA +PJ095901 TTTLKEEE C39H67N9O18 949.4604 NA PeJP NA NA +PJ095902 GLLKEEMM C40H71N9O13S2 949.4613 NA PeJP NA NA +PJ095903 GSSTKERW C40H63N13O14 949.4618 NA PeJP NA NA +PJ095904 VVLMYYY C48H67N7O11S 949.4619 NA PeJP NA NA +PJ095905 CLLLYYY C48H67N7O11S 949.462 NA PeJP NA NA +PJ095906 AQKMMRW C41H67N13O9S2 949.4626 NA PeJP NA NA +PJ095907 GAAKMMRW C41H67N13O9S2 949.4627 NA PeJP NA NA +PJ095908 GPTKHHHH C41H59N17O10 949.4631 NA PeJP NA NA +PJ095909 ASTQKEMR C37H67N13O14S 949.4651 NA PeJP NA NA +PJ095910 GSDKKEMR C37H67N13O14S 949.4652 NA PeJP NA NA +PJ095911 SSKKEWW C45H63N11O12 949.4658 NA PeJP NA NA +PJ095912 GPCKKMMR C38H71N13O9S3 949.466 NA PeJP NA NA +PJ095913 SSCRRRW C38H63N17O10S 949.4665 NA PeJP NA NA +PJ095914 APHHFRW C46H59N15O8 949.4671 NA PeJP NA NA +PJ095915 SSSSDRRR C34H63N17O15 949.469 NA PeJP NA NA +PJ095916 TQKKEMW C42H67N11O12S 949.4692 NA PeJP NA NA +PJ095917 SPVLYWW C50H63N9O10 949.4698 NA PeJP NA NA +PJ095918 SNMMRRR C35H67N17O10S2 949.4699 NA PeJP NA NA +PJ095919 ALMHHRW C43H63N15O8S 949.4705 NA PeJP NA NA +PJ095920 TTTTLEER C38H67N11O17 949.4717 NA PeJP NA NA +PJ095921 PTTTLMMR C39H71N11O12S2 949.4725 NA PeJP NA NA +PJ095922 GTLLEMMR C39H71N11O12S2 949.4726 NA PeJP NA NA +PJ095923 GSSTTRRW C39H63N15O13 949.473 NA PeJP NA NA +PJ095924 GGGGGGAAPPPR C39H63N15O13 949.4731 NA PeJP NA NA +MJ098484 Cycloleonuripeptide A C47H67N9O10S 949.47316 NA MeJP NA NA +PJ095925 TTLLMWW C47H67N9O10S 949.4732 NA PeJP NA NA +PJ095926 ACKMRRW C40H67N15O8S2 949.4739 NA PeJP NA NA +PJ095927 VQHHHHR C40H59N19O9 949.4744 NA PeJP NA NA +PJ095928 STTTLLEW C43H67N9O15 949.4757 NA PeJP NA NA +PJ095929 GSSKEMRR C36H67N15O13S 949.4764 NA PeJP NA NA +PJ095930 LLKEMMW C44H71N9O10S2 949.4766 NA PeJP NA NA +PJ095931 SSTKRWW C44H63N13O11 949.477 NA PeJP NA NA +PJ095932 GGGAALRYW C44H63N13O11 949.4771 NA PeJP NA NA +PJ095933 VLMFFFF C52H67N7O8S 949.4772 NA PeJP NA NA +PJ095934 CNKHHRR C37H63N19O9S 949.4777 NA PeJP NA NA +PJ095935 STLLKEEM C40H71N9O15S 949.4791 NA PeJP NA NA +PJ095936 SPLLKMMM C41H75N9O10S3 949.4799 NA PeJP NA NA +PJ095937 GAALLLMMM C41H75N9O10S3 949.48 NA PeJP NA NA +PJ095938 SDKKMRW C41H67N13O11S 949.4804 NA PeJP NA NA +PJ095939 GVQKFWW C49H63N11O9 949.4811 NA PeJP NA NA +PJ095940 SSSKKEER C37H67N13O16 949.4829 NA PeJP NA NA +PJ095941 QKKEMMR C38H71N13O11S2 949.4838 NA PeJP NA NA +PJ095942 PQQEHRR C38H63N17O12 949.4842 NA PeJP NA NA +PJ095943 GNERRRY C38H63N17O12 949.4843 NA PeJP NA NA +PJ095944 ATKKMWW C46H67N11O9S 949.4844 NA PeJP NA NA +PJ095945 LLFWWW C54H63N9O7 949.4851 NA PeJP NA NA +PJ095946 AHHHHRR C39H59N21O8 949.4856 NA PeJP NA NA +PJ095947 GTTTKKEW C42H67N11O14 949.4869 NA PeJP NA NA +PJ095948 GGGGGGSLLLY C42H67N11O14 949.487 NA PeJP NA NA +PJ095949 GSSTMRRR C35H67N17O12S 949.4876 NA PeJP NA NA +PJ095950 TLLMMRW C43H71N11O9S2 949.4878 NA PeJP NA NA +PJ095951 AAQRRYW C43H63N15O10 949.4883 NA PeJP NA NA +PJ095952 STTLLEMR C39H71N11O14S 949.4903 NA PeJP NA NA +PJ095953 VLLQEYW C47H67N9O12 949.4909 NA PeJP NA NA +PJ095954 LLLNEYW C47H67N9O12 949.491 NA PeJP NA NA +PJ095955 GVLLMMMR C40H75N11O9S3 949.4912 NA PeJP NA NA +PJ095956 SSKMRRW C40H67N15O10S 949.4916 NA PeJP NA NA +PJ095957 GAPCKRRY C40H67N15O10S 949.4917 NA PeJP NA NA +PJ095958 QKFRWW C48H63N13O8 949.4923 NA PeJP NA NA +PJ095959 SSSTKERR C36H67N15O15 949.4941 NA PeJP NA NA +PJ095960 GGGSSSSKKR C36H67N15O15 949.4942 NA PeJP NA NA +PJ095961 SSTLLLMW C44H71N9O12S 949.4943 NA PeJP NA NA +PJ095962 VVLFFYY C52H67N7O10 949.495 NA PeJP NA NA +PJ095963 PNDHRRR C37H63N19O11 949.4955 NA PeJP NA NA +PJ095964 VLKMHHW C45H67N13O8S 949.4957 NA PeJP NA NA +PJ095965 SSSTTLLLE C40H71N9O17 949.4968 NA PeJP NA NA +PJ095966 SVLLKEMM C41H75N9O12S2 949.4977 NA PeJP NA NA +PJ095967 SSSSLKRW C41H67N13O13 949.4982 NA PeJP NA NA +PJ095968 AKKMMRW C42H71N13O8S2 949.499 NA PeJP NA NA +PJ095969 NRRRYW C42H63N17O9 949.4995 NA PeJP NA NA +PJ095970 GTTKKEMR C38H71N13O13S 949.5015 NA PeJP NA NA +PJ095971 GGGGSTKKKM C38H71N13O13S 949.5016 NA PeJP NA NA +PJ095972 TTTKKWW C46H67N11O11 949.5022 NA PeJP NA NA +PJ095973 LLMMMRR C39H75N13O8S3 949.5024 NA PeJP NA NA +PJ095974 GQMFRRR C39H67N17O9S 949.5029 NA PeJP NA NA +PJ095975 SSSTTRRR C35H67N17O14 949.5054 NA PeJP NA NA +PJ095976 TKKKEMW C43H71N11O11S 949.5056 NA PeJP NA NA +PJ095977 GLLLYWW C51H67N9O9 949.5062 NA PeJP NA NA +PJ095978 TCKMRRR C36H71N17O9S2 949.5063 NA PeJP NA NA +PJ095979 STTKKKEE C39H71N11O16 949.5081 NA PeJP NA NA +PJ095980 SSLLLMMR C40H75N11O11S2 949.5089 NA PeJP NA NA +PJ095981 AQKERRY C40H67N15O12 949.5094 NA PeJP NA NA +PJ095982 PLLKMYW C48H71N9O9S 949.5096 NA PeJP NA NA +PJ095983 VKHHHHR C41H63N19O8 949.5108 NA PeJP NA NA +PJ095984 GVLLKEEY C44H71N9O14 949.5121 NA PeJP NA NA +PJ095985 GTTTKMRR C37H71N15O12S 949.5128 NA PeJP NA NA +PJ095986 APLLKMMF C45H75N9O9S2 949.513 NA PeJP NA NA +PJ095987 GLQKRYW C45H67N13O10 949.5134 NA PeJP NA NA +PJ095988 GCFRRRR C38H67N19O8S 949.5141 NA PeJP NA NA +PJ095989 ASTTTLLLM C41H75N9O14S 949.5154 NA PeJP NA NA +PJ095990 SSSSLLLLM C41H75N9O14S 949.5155 NA PeJP NA NA +PJ095991 ALLLKMMM C42H79N9O9S3 949.5163 NA PeJP NA NA +PJ095992 TTKKMRW C42H71N13O10S 949.5168 NA PeJP NA NA +PJ095993 GVKKFWW C50H67N11O8 949.5175 NA PeJP NA NA +PJ095994 STTTKKER C38H71N13O15 949.5193 NA PeJP NA NA +PJ095995 KKKEMMR C39H75N13O10S2 949.5202 NA PeJP NA NA +PJ095996 GDKRRRY C39H67N17O11 949.5206 NA PeJP NA NA +PJ095997 GPPPDRRR C39H67N17O11 949.5207 NA PeJP NA NA +PJ095998 VVLMFRW C47H71N11O8S 949.5208 NA PeJP NA NA +8301 ACE inhibitor KRQKYDI 949.5209 Bile-acid glycine conjugates ;SYN:(23R)-Hydroxychenodeoxycholylglycine; 12-Deoxycholylglycine; 12-Desoxycholylglycine; 3a,7a-Dihydroxy-N-(carboxymethyl)-5b-cholan-24-amide; Chenodeoxycholic acid glycine conjugate; Chenodeoxycholylglycine; Glycine chenodeoxycholate; Glycochenodeoxycholate; Glycochenodeoxycholic acid; Glycylchenodeoxycholate; Glycylchenodeoxycholic acid; N-(3a,7a-dihydroxy-5b-cholan-24-oyl)-Glycine; N-(carboxymethyl)-3a,7a-dihydroxy-5b-Cholan-24-amideH2Bile; Blood; Urine Inhouse_peptide NA peptide +PJ095999 SSTTLKKW C43H71N11O13 949.5233 NA PeJP NA NA +PJ096000 VKKKMMW C44H75N11O8S2 949.5242 NA PeJP NA NA +PJ096001 AAKRRYW C44H67N15O9 949.5247 NA PeJP NA NA +PJ096002 SSLKKKEM C40H75N11O13S 949.5267 NA PeJP NA NA +PJ096003 VLLKEYW C48H71N9O11 949.5273 NA PeJP NA NA +PJ096004 PPPVLLEW C48H71N9O11 949.5274 NA PeJP NA NA +PJ096005 PCKKRRY C41H71N15O9S 949.528 NA PeJP NA NA +PJ096006 KKFRWW C49H67N13O7 949.5287 NA PeJP NA NA +PJ096007 STTTTKRR C37H71N15O14 949.5305 NA PeJP NA NA +PJ096008 SPVLLKMY C45H75N9O11S 949.5307 NA PeJP NA NA +PJ096009 TKKMMRR C38H75N15O9S2 949.5314 NA PeJP NA NA +PJ096010 GSRRRRY C38H67N19O10 949.5319 NA PeJP NA NA +PJ096011 STTTTTLLL C41H75N9O16 949.5332 NA PeJP NA NA +PJ096012 TTLLLKMM C42H79N9O11S2 949.5341 NA PeJP NA NA +PJ096013 VQKKERY C42H71N13O12 949.5345 NA PeJP NA NA +PJ096014 TLLERRY C42H71N13O12 949.5346 NA PeJP NA NA +PJ096015 APKHRRW C43H67N17O8 949.5359 NA PeJP NA NA +PJ096016 SSTLKKMR C39H75N13O12S 949.5379 NA PeJP NA NA +PJ096017 SLLLRYW C47H71N11O10 949.5386 NA PeJP NA NA +PJ096018 GKMFRRR C40H71N17O8S 949.5393 NA PeJP NA NA +PJ096019 AALLLMRY C44H75N11O10S 949.542 NA PeJP NA NA +PJ096020 PLLKFFW C52H71N9O8 949.5426 NA PeJP NA NA +PJ096021 SSSSTLLKK C40H75N11O15 949.5444 NA PeJP NA NA +PJ096022 ATLKKKMM C41H79N11O10S2 949.5453 NA PeJP NA NA +PJ096023 AKKERRY C41H71N15O11 949.5458 NA PeJP NA NA +PJ096024 LLLKMFW C49H75N9O8S 949.546 NA PeJP NA NA +PJ096025 ATLLLKEY C45H75N9O13 949.5485 NA PeJP NA NA +PJ096026 GLKKRYW C46H71N13O9 949.5498 NA PeJP NA NA +PJ096027 VLLMRRY C43H75N13O9S 949.5532 NA PeJP NA NA +PJ096028 GSSSTKKKK C39H75N13O14 949.5557 NA PeJP NA NA +PJ096029 GCKKKKKM C40H79N13O9S2 949.5566 NA PeJP NA NA +PJ096030 ATKRRRY C40H71N17O10 949.557 NA PeJP NA NA +PJ096031 ATTLLLRY C44H75N11O12 949.5597 NA PeJP NA NA +PJ096032 PVKKHRW C45H71N15O8 949.5611 NA PeJP NA NA +PJ096033 TTTLKKKM C41H79N11O12S 949.5631 NA PeJP NA NA +PJ096034 GPLLLKFY C49H75N9O10 949.5637 NA PeJP NA NA +PJ096035 CLKKFRR C42H75N15O8S 949.5644 NA PeJP NA NA +PJ096036 GLLLLKMY C46H79N9O10S 949.5671 NA PeJP NA NA +PJ096037 PTKHRRR C39H71N19O9 949.5683 NA PeJP NA NA +PJ096038 VKKKERY C43H75N13O11 949.5709 NA PeJP NA NA +PJ096039 GGAAKKKKY C43H75N13O11 949.571 NA PeJP NA NA +PJ096040 STCKKKKK C40H79N13O11S 949.5743 NA PeJP NA NA +PJ096041 VVKKKYW C48H75N11O9 949.575 NA PeJP NA NA +PJ096042 GVLKKKMF C45H79N11O9S 949.5783 NA PeJP NA NA +PJ096043 GLHRRRR C38H71N21O8 949.5795 NA PeJP NA NA +PJ096044 SLKKRRY C42H75N15O10 949.5822 NA PeJP NA NA +PJ096045 STLLLLKY C46H79N9O12 949.5848 NA PeJP NA NA +PJ096046 STILLLKY C46H79N9O12 949.5849 NA PeJP NA NA +PJ096047 LLLLHRW C47H75N13O8 949.5862 NA PeJP NA NA +PJ096048 LKKKMFR C44H79N13O8S 949.5896 NA PeJP NA NA +PJ096049 GPPVLRRR C41H75N17O9 949.5934 NA PeJP NA NA +PJ096050 GTLLKKKY C45H79N11O11 949.5961 NA PeJP NA NA +PJ096051 PPVLLLLW C50H79N9O9 949.6001 NA PeJP NA NA +PJ096052 PPLRRRR C40H75N19O8 949.6047 NA PeJP NA NA +PJ096053 QKKKKKY C44H79N13O10 949.6073 NA PeJP NA NA +PJ096054 APPLLKRR C43H79N15O9 949.6186 NA PeJP NA NA +PJ096055 SPPVVILLL C47H83N9O11 949.6212 NA PeJP NA NA +PJ096056 APPTLLLLL C47H83N9O11 949.6213 NA PeJP NA NA +PJ096057 LLKKHRR C42H79N17O8 949.6298 NA PeJP NA NA +PJ096058 TLLLLLKH C46H83N11O10 949.6325 NA PeJP NA NA +PJ096059 KKKKKKY C45H83N13O9 949.6437 NA PeJP NA NA +PJ096060 GPVLLLLLL C48H87N9O10 949.6576 NA PeJP NA NA +PJ096061 PLLLLLLR C47H87N11O9 949.6689 NA PeJP NA NA +MJ098485 Acanthalactoside B C50H95NO15 949.670171 NA MeJP NA NA +MJ098486 Lagerstannin B C41H26O27 950.066145 NA MeJP NA NA +PJ096062 PCCCCCCCN C30H50N10O11S7 950.1706 NA PeJP NA NA +PJ096063 ACCCCCCNE C30H50N10O13S6 950.1883 NA PeJP NA NA +PJ096064 GCCCCCNDM C30H50N10O13S6 950.1884 NA PeJP NA NA +MJ098487 3,3',4,4',5,5',7-Heptahydroxyflavan; 3,5-Bis-[3,4,5-trihydroxybenzoyl-(??)-?-D-glucopyranoside] C41H42O26 950.196431 NA MeJP NA NA +PJ096065 CCCCCCQW C34H50N10O10S6 950.2036 NA PeJP NA NA +PJ096066 SSCCCCCNE C30H50N10O15S5 950.2061 NA PeJP NA NA +PJ096067 CCCDDDDY C34H46N8O18S3 950.2093 NA PeJP NA NA +PJ096068 CCCDDMMM C32H54N8O13S6 950.2135 NA PeJP NA NA +PJ096069 GSSCCCCCW C34H50N10O12S5 950.2214 NA PeJP NA NA +PJ096070 GSSSSCCCCD C30H50N10O17S4 950.2239 NA PeJP NA NA +PJ096071 GSCCCCNMM C31H54N10O12S6 950.2247 NA PeJP NA NA +MJ098488 Pradimicin L; 3B-O-Sulfate C41H46N2O22S 950.226291 NA MeJP NA NA +PJ096072 CCCDDDMF C35H50N8O15S4 950.2279 NA PeJP NA NA +PJ096073 CCCCDMHH C33H50N12O11S5 950.2326 NA PeJP NA NA +FL3FACDS0020 Isoorientin 4'-O-glucoside-2''-(4-glucosyloxy-2,5-dihydroxycinnamante) C42H46O25 950.23281 80749-68-4 knapsack NA NA +FL5FACGL0067 Quercetin 3-(6''''-caffeylsophorotrioside) C42H46O25 950.23281 167638-64-4 knapsack NA NA +FL5FACGL0074 Quercetin 3-(2'''-(E)-caffeylsophoroside]-7-glucoside C42H46O25 950.23281 151649-67-1 knapsack NA NA +FL5FACGS0117 Quercetin 3-sophoroside-7-(6''-(E)-caffeoylglucoside);2-(3,4-Dihydroxyphenyl)-7-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-4H-1-benzopyran-4-one C42H46O25 950.23281 247576-99-4 knapsack NA NA +MJ098489 3,3',4',5,7-Pentahydroxyflavone; 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C42H46O25 950.232817 NA MeJP NA NA +MJ098490 Isoquercitrin; 2''-O-[3,4-Dihydroxycinnamoyl-(?2)-?-D-glucopyranosyl], 7-O-?-D-glucopyranoside C42H46O25 950.232817 NA MeJP NA NA +MJ098491 Quercimeritrin; 3-O-(Caffeoylsophoroside) C42H46O25 950.232817 NA MeJP NA NA +MJ098492 Quercimeritrin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 6''-O-(3,4-dihydroxy-E-cinnamoyl) C42H46O25 950.232817 NA MeJP NA NA +MJ098493 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3,3'-Di-O-?-D-glucopyranoside, 5-O-[3,4-dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] C42H47O25(+) 950.232817 NA MeJP NA NA +PJ096074 GTCCCCCCR C30H54N12O11S6 950.236 NA PeJP NA NA +PJ096075 CCDDDDEH C33H46N10O19S2 950.2383 NA PeJP NA NA +PJ096076 CCCCNNEY C34H50N10O14S4 950.2391 NA PeJP NA NA +PJ096077 CCCCCCKW C35H54N10O9S6 950.24 NA PeJP NA NA +PJ096078 SSSCCCCQM C31H54N10O14S5 950.2425 NA PeJP NA NA +PJ096079 SCCDDDMY C35H50N8O17S3 950.2456 NA PeJP NA NA +PJ096080 PCCCCEMY C36H54N8O12S5 950.2465 NA PeJP NA NA +PJ096081 SCCDMMMM C33H58N8O12S6 950.2499 NA PeJP NA NA +PJ096082 GPCCCCNDH C33H50N12O13S4 950.2504 NA PeJP NA NA +PJ096083 SSSCCCCCR C30H54N12O13S5 950.2537 NA PeJP NA NA +PJ096084 GCCCCNYW C38H50N10O11S4 950.2544 NA PeJP NA NA +PJ096085 GSSCCCNDY C34H50N10O16S3 950.2569 NA PeJP NA NA +PJ096086 CCCCNQMF C35H54N10O11S5 950.2577 NA PeJP NA NA +PJ096087 GGCCCCQMF C35H54N10O11S5 950.2578 NA PeJP NA NA +PJ096088 GSSSSSCCCM C31H54N10O16S4 950.2602 NA PeJP NA NA +PJ096089 GTCCCCCKM C32H58N10O11S6 950.2611 NA PeJP NA NA +PJ096090 GCCDEMMY C36H54N8O14S4 950.2643 NA PeJP NA NA +PJ096091 CCNNDDMH C33H50N12O15S3 950.2681 NA PeJP NA NA +PJ096092 ACCMMMMM C34H62N8O9S7 950.2685 NA PeJP NA NA +PJ096093 CCCCCNFR C34H54N12O10S5 950.269 NA PeJP NA NA +PJ096094 NNDDDDDE C33H46N10O23 950.2738 NA PeJP NA NA +PJ096095 SCDDDEMH C34H50N10O18S2 950.2746 NA PeJP NA NA +PJ096096 SCCCNQMY C35H54N10O13S4 950.2755 NA PeJP NA NA +PJ096097 SSSSSSTCCC C31H54N10O18S3 950.278 NA PeJP NA NA +PJ096098 GCCDDEFY C39H50N8O16S2 950.2787 NA PeJP NA NA +PJ096099 SSSCCCCKM C32H58N10O13S5 950.2789 NA PeJP NA NA +PJ096100 GSCCCNNNH C32H50N14O14S3 950.2793 NA PeJP NA NA +PJ096101 GGGSCCCNNH C32H50N14O14S3 950.2794 NA PeJP NA NA +PJ096102 CCDMMYW C40H54N8O11S4 950.2795 NA PeJP NA NA +PJ096103 PDDDDDEM C35H50N8O21S 950.2812 NA PeJP NA NA +PJ096104 SSCDDMMY C36H54N8O16S3 950.282 NA PeJP NA NA +PJ096105 PTCCCMMY C37H58N8O11S5 950.2829 NA PeJP NA NA +PJ096106 GCCCNEHW C37H50N12O12S3 950.2834 NA PeJP NA NA +PJ096107 GSSCCNDEH C33H50N12O17S2 950.2859 NA PeJP NA NA +PJ096108 SSCMMMMM C34H62N8O11S6 950.2863 NA PeJP NA NA +PJ096109 SCCCCNRY C34H54N12O12S4 950.2867 NA PeJP NA NA +PJ096110 GGGSPCCCMH C34H54N12O12S4 950.2868 NA PeJP NA NA +PJ096111 GNDDDDDW C37H46N10O20 950.289 NA PeJP NA NA +PJ096112 GCCNNDYY C38H50N10O15S2 950.2899 NA PeJP NA NA +PJ096113 GSPCNDDDE C34H50N10O20S 950.2924 NA PeJP NA NA +PJ096114 GSSSCCNMY C35H54N10O15S3 950.2933 NA PeJP NA NA +PJ096115 CCDDFYW C43H50N8O13S2 950.2939 NA PeJP NA NA +PJ096116 CCCCNKMF C36H58N10O10S5 950.2941 NA PeJP NA NA +PJ096117 PCCCDHHH C36H50N14O11S3 950.2946 NA PeJP NA NA +PJ096118 GSCDDEYY C39H50N8O18S 950.2964 NA PeJP NA NA +PJ096119 GPCCDMYY C40H54N8O13S3 950.2973 NA PeJP NA NA +PJ096120 CCMMMFW C41H58N8O8S5 950.2982 NA PeJP NA NA +PJ096121 CCCNHWW C41H50N12O9S3 950.2986 NA PeJP NA NA +PJ096122 GDDEEEEE C35H50N8O23 950.2989 NA PeJP NA NA +PJ096123 ASCDMMMY C37H58N8O13S4 950.3006 NA PeJP NA NA +PJ096124 GSCEMMMY C37H58N8O13S4 950.3007 NA PeJP NA NA +PJ096125 SSCCNDHW C37H50N12O14S2 950.3011 NA PeJP NA NA +PJ096126 ACCCMHHF C38H54N12O9S4 950.302 NA PeJP NA NA +PJ096127 SSSSCNDDH C33H50N12O19S 950.3036 NA PeJP NA NA +PJ096128 GGGGGGNDDDM C33H50N12O19S 950.3037 NA PeJP NA NA +PJ096129 SCNNDMMH C34H54N12O14S3 950.3045 NA PeJP NA NA +PJ096130 SPCNDDDW C38H50N10O17S 950.3077 NA PeJP NA NA +PJ096131 CDEMMHW C39H54N10O12S3 950.3085 NA PeJP NA NA +PJ096132 SNNDDEEE C34H50N10O22 950.3102 NA PeJP NA NA +PJ096133 SSSSSCCQY C35H54N10O17S2 950.311 NA PeJP NA NA +PJ096134 SCDDYYW C43H50N8O15S 950.3117 NA PeJP NA NA +PJ096135 SCCCNKMY C36H58N10O12S4 950.3119 NA PeJP NA NA +PJ096136 GCDDMHHH C36H50N14O13S2 950.3124 NA PeJP NA NA +PJ096137 CCDMFFW C44H54N8O10S3 950.3125 NA PeJP NA NA +PJ096138 DDEEEEW C39H50N8O20 950.3142 NA PeJP NA NA +PJ096139 GSCNNNNND C32H50N14O18S 950.3149 NA PeJP NA NA +PJ096140 NDDMMYY C40H54N8O15S2 950.315 NA PeJP NA NA +PJ096141 SCCCNEHR C33H54N14O13S3 950.3157 NA PeJP NA NA +PJ096142 SCMMMYW C41H58N8O10S4 950.3159 NA PeJP NA NA +PJ096143 SPCEEEEE C36H54N8O20S 950.3175 NA PeJP NA NA +PJ096144 SPDDEEEM C36H54N8O20S 950.3176 NA PeJP NA NA +PJ096145 SSSDMMMY C37H58N8O15S3 950.3184 NA PeJP NA NA +PJ096146 GCNNNDEW C37H50N12O16S 950.3189 NA PeJP NA NA +PJ096147 NMMMMMY C38H62N8O10S5 950.3193 NA PeJP NA NA +PJ096148 GSCCQMHW C38H54N12O11S3 950.3198 NA PeJP NA NA +PJ096149 SNDDDDDR C33H50N12O21 950.3214 NA PeJP NA NA +PJ096150 ASSSCCQEH C34H54N12O16S2 950.3222 NA PeJP NA NA +PJ096151 PCCNDDER C34H54N12O16S2 950.3223 NA PeJP NA NA +PJ096152 CDDEHFW C42H50N10O14S 950.3229 NA PeJP NA NA +PJ096153 GCNQMMMH C35H58N12O11S4 950.3231 NA PeJP NA NA +PJ096154 SCCNNHHH C35H50N16O12S2 950.3236 NA PeJP NA NA +PJ096155 GPPCCCWW C43H54N10O9S3 950.3238 NA PeJP NA NA +PJ096156 GSNDDEEW C38H50N10O19 950.3254 NA PeJP NA NA +PJ096157 GPCNDEMW C39H54N10O14S2 950.3263 NA PeJP NA NA +PJ096158 CCEHHHW C40H50N14O10S2 950.3276 NA PeJP NA NA +PJ096159 GSSSSSSSCY C35H54N10O19S 950.3288 NA PeJP NA NA +PJ096160 NDDDFYY C43H50N8O17 950.3294 NA PeJP NA NA +PJ096161 GSSTCCCKY C36H58N10O14S3 950.3296 NA PeJP NA NA +PJ096162 GSEEMMMH C36H58N10O14S3 950.3297 NA PeJP NA NA +PJ096163 SSCDEHHH C36H50N14O15S 950.3301 NA PeJP NA NA +PJ096164 GCEMYYW C44H54N8O12S2 950.3303 NA PeJP NA NA +PJ096165 APCMMMMH C37H62N10O9S5 950.3305 NA PeJP NA NA +PJ096166 GSCCCHRW C37H54N14O10S3 950.331 NA PeJP NA NA +PJ096167 GSSDEMYY C40H54N8O17S 950.3328 NA PeJP NA NA +PJ096168 GSSSCCDHR C33H54N14O15S2 950.3335 NA PeJP NA NA +PJ096169 GSPCMMYY C41H58N8O12S3 950.3337 NA PeJP NA NA +PJ096170 CNNNDWW C41H50N12O13S 950.3341 NA PeJP NA NA +PJ096171 GGGGCNDWW C41H50N12O13S 950.3342 NA PeJP NA NA +PJ096172 GCCNMMHR C34H58N14O10S4 950.3344 NA PeJP NA NA +PJ096173 GTEEEEEE C36H54N8O22 950.3353 NA PeJP NA NA +PJ096174 GPEEEEMM C37H58N8O17S2 950.3362 NA PeJP NA NA +PJ096175 SSNNNDDW C37H50N12O18 950.3366 NA PeJP NA NA +PJ096176 GGGGSSNDDW C37H50N12O18 950.3367 NA PeJP NA NA +PJ096177 GSTMMMMY C38H62N8O12S4 950.337 NA PeJP NA NA +PJ096178 GPCCDDRW C38H54N12O13S2 950.3375 NA PeJP NA NA +PJ096179 GNDDDEMR C34H54N12O18S 950.34 NA PeJP NA NA +PJ096180 SNDDEWW C42H50N10O16 950.3407 NA PeJP NA NA +PJ096181 GSPPCCCER C35H58N12O13S3 950.3409 NA PeJP NA NA +PJ096182 PCNDMWW C43H54N10O11S2 950.3415 NA PeJP NA NA +PJ096183 GGGGGCCFFF C43H54N10O11S2 950.3416 NA PeJP NA NA +PJ096184 NNEEEMW C39H54N10O16S 950.344 NA PeJP NA NA +PJ096185 GGGGEEEMW C39H54N10O16S 950.3441 NA PeJP NA NA +PJ096186 CCNNNNNR C32H54N16O14S2 950.3447 NA PeJP NA NA +PJ096187 GGGGGGGGCCNR C32H54N16O14S2 950.3448 NA PeJP NA NA +PJ096188 SEMMMHW C40H58N10O11S3 950.3449 NA PeJP NA NA +PJ096189 CMYYWW C48H54N8O9S2 950.3455 NA PeJP NA NA +PJ096190 ACCCCHRR C33H58N16O9S4 950.3456 NA PeJP NA NA +PJ096191 SSNQEEEE C35H54N10O21 950.3465 NA PeJP NA NA +PJ096192 GGGGSTEEEE C35H54N10O21 950.3466 NA PeJP NA NA +PJ096193 SSSSSCCKY C36H58N10O16S2 950.3474 NA PeJP NA NA +PJ096194 GNNDEEHH C36H50N14O17 950.3479 NA PeJP NA NA +PJ096195 SSDMYYW C44H54N8O14S 950.348 NA PeJP NA NA +PJ096196 GGPCEYYY C44H54N8O14S 950.3481 NA PeJP NA NA +PJ096197 TCCCCKKY C37H62N10O11S4 950.3483 NA PeJP NA NA +PJ096198 SVCCEHHH C37H54N14O12S2 950.3487 NA PeJP NA NA +PJ096199 GCCNDHFR C37H54N14O12S2 950.3488 NA PeJP NA NA +PJ096200 ACMMFYW C45H58N8O9S3 950.3489 NA PeJP NA NA +PJ096201 SSSSEEYY C40H54N8O19 950.3505 NA PeJP NA NA +PJ096202 TEEEEEW C40H54N8O19 950.3506 NA PeJP NA NA +PJ096203 SCNNNDER C33H54N14O17S 950.3512 NA PeJP NA NA +PJ096204 GCDDDDRR C33H54N14O17S 950.3513 NA PeJP NA NA +PJ096205 PEEEMMW C41H58N8O14S2 950.3514 NA PeJP NA NA +PJ096206 SSCCQMHR C34H58N14O12S3 950.3521 NA PeJP NA NA +PJ096207 NMMMMFF C42H62N8O9S4 950.3523 NA PeJP NA NA +PJ096208 CNNMHFW C42H54N12O10S2 950.3528 NA PeJP NA NA +PJ096209 GVEEEEEM C37H58N8O19S 950.3539 NA PeJP NA NA +PJ096210 SSTTMMMY C38H62N8O14S3 950.3548 NA PeJP NA NA +PJ096211 NDDDMRW C38H54N12O15S 950.3553 NA PeJP NA NA +PJ096212 GSDDWWW C46H50N10O13 950.3559 NA PeJP NA NA +PJ096213 SPPCCCRW C39H58N12O10S3 950.3561 NA PeJP NA NA +PJ096214 GGPCCCKHF C39H58N12O10S3 950.3562 NA PeJP NA NA +PJ096215 APCCWWW C47H54N10O8S2 950.3568 NA PeJP NA NA +PJ096216 SSNDDEER C34H54N12O20 950.3578 NA PeJP NA NA +PJ096217 SPCNDEMR C35H58N12O15S2 950.3586 NA PeJP NA NA +PJ096218 GGSPCDEMR C35H58N12O15S2 950.3587 NA PeJP NA NA +PJ096219 SNNNNDHH C35H50N16O16 950.3591 NA PeJP NA NA +PJ096220 GNEEMWW C43H54N10O13S 950.3593 NA PeJP NA NA +PJ096221 DMMMMHR C36H62N12O10S4 950.3595 NA PeJP NA NA +PJ096222 PCMMHFW C44H58N10O8S3 950.3602 NA PeJP NA NA +PJ096223 GSSQEEEW C39H54N10O18 950.3618 NA PeJP NA NA +PJ096224 GSPNEMMW C40H58N10O13S2 950.3627 NA PeJP NA NA +PJ096225 NNDEHHW C40H50N14O14 950.3631 NA PeJP NA NA +PJ096226 GGGGDEHHW C40H50N14O14 950.3632 NA PeJP NA NA +PJ096227 GPCYYYW C48H54N8O11S 950.3633 NA PeJP NA NA +PJ096228 SSCCCHRR C33H58N16O11S3 950.3634 NA PeJP NA NA +PJ096229 CLMMMHW C41H62N10O8S4 950.3635 NA PeJP NA NA +PJ096230 TCMHHHW C41H54N14O9S2 950.364 NA PeJP NA NA +MJ098494 Albomycin; Albomycin ?1 C36H58N10O18S 950.365125 NA MeJP NA NA +PJ096231 EEEEEMR C36H58N10O18S 950.3652 NA PeJP NA NA +PJ096232 PDEEEFW C44H54N8O16 950.3658 NA PeJP NA NA +PJ096233 ATTEMMMH C37H62N10O13S3 950.366 NA PeJP NA NA +PJ096234 GGGAAPEMMM C37H62N10O13S3 950.3661 NA PeJP NA NA +PJ096235 GSCNNDRW C37H54N14O14S 950.3665 NA PeJP NA NA +PJ096236 GTMMYYW C45H58N8O11S2 950.3667 NA PeJP NA NA +PJ096237 QMMMHHH C38H58N14O9S3 950.3674 NA PeJP NA NA +PJ096238 GSCHHHHH C38H50N18O10S 950.3679 NA PeJP NA NA +PJ096239 GSSSNNDDR C33H54N14O19 950.369 NA PeJP NA NA +PJ096240 VEEEEMW C41H58N8O16S 950.3692 NA PeJP NA NA +PJ096241 SPCCDDRR C34H58N14O14S2 950.3699 NA PeJP NA NA +PJ096242 VNMMMYY C42H62N8O11S3 950.37 NA PeJP NA NA +PJ096243 GGVMMMYY C42H62N8O11S3 950.3701 NA PeJP NA NA +PJ096244 GCDERWW C42H54N12O12S 950.3705 NA PeJP NA NA +PJ096245 GGGGGGGPCFW C42H54N12O12S 950.3706 NA PeJP NA NA +PJ096246 ACCCKMHR C35H62N14O9S4 950.3708 NA PeJP NA NA +PJ096247 SSLEEEEE C37H58N8O21 950.3717 NA PeJP NA NA +PJ096248 SPVEEEMM C38H62N8O16S2 950.3726 NA PeJP NA NA +PJ096249 GSSDDERW C38H54N12O17 950.373 NA PeJP NA NA +PJ096250 GGGGGGGGSPEY C38H54N12O17 950.3731 NA PeJP NA NA +PJ096251 PPVDMMMM C39H66N8O11S4 950.3734 NA PeJP NA NA +PJ096252 GSPCDMRW C39H58N12O12S2 950.3739 NA PeJP NA NA +PJ096253 GPDDHHHH C39H50N16O13 950.3744 NA PeJP NA NA +PJ096254 NEMWWW C47H54N10O10S 950.3745 NA PeJP NA NA +PJ096255 GGEMWWW C47H54N10O10S 950.3746 NA PeJP NA NA +PJ096256 GSNEEEMR C35H58N12O17S 950.3764 NA PeJP NA NA +PJ096257 SSQEEWW C43H54N10O15 950.377 NA PeJP NA NA +PJ096258 GGSTEEWW C43H54N10O15 950.3771 NA PeJP NA NA +PJ096259 GPNDMMMR C36H62N12O12S3 950.3773 NA PeJP NA NA +PJ096260 GNNNQMHH C36H54N16O13S 950.3777 NA PeJP NA NA +PJ096261 GGGGGNQMHH C36H54N16O13S 950.3778 NA PeJP NA NA +PJ096262 SPNMMWW C44H58N10O10S2 950.3779 NA PeJP NA NA +PJ096263 GNDHHWW C44H50N14O11 950.3784 NA PeJP NA NA +PJ096264 CFFYWW C52H54N8O8S 950.3786 NA PeJP NA NA +PJ096265 NDKEEMW C40H58N10O15S 950.3804 NA PeJP NA NA +PJ096266 QEYYYW C48H54N8O13 950.3811 NA PeJP NA NA +PJ096267 PQQMMMW C41H62N10O10S3 950.3813 NA PeJP NA NA +PJ096268 GSPCQHHW C41H54N14O11S 950.3818 NA PeJP NA NA +PJ096269 ACMFFFW C49H58N8O8S2 950.3819 NA PeJP NA NA +PJ096270 SSNKEEEE C36H58N10O20 950.3829 NA PeJP NA NA +PJ096271 TTTTEMMH C37H62N10O15S2 950.3838 NA PeJP NA NA +PJ096272 GNNNNQQY C37H54N14O16 950.3842 NA PeJP NA NA +PJ096273 GGGNNNQQY C37H54N14O16 950.3843 NA PeJP NA NA +PJ096274 STTMYYW C45H58N8O13S 950.3844 NA PeJP NA NA +PJ096275 PPPCDEFF C45H58N8O13S 950.3845 NA PeJP NA NA +PJ096276 GTLMMMMH C38H66N10O10S4 950.3847 NA PeJP NA NA +PJ096277 CNNQMRW C38H58N14O11S2 950.3851 NA PeJP NA NA +PJ096278 GGGGGACMRW C38H58N14O11S2 950.3852 NA PeJP NA NA +PJ096279 CDRWWW C46H54N12O9S 950.3858 NA PeJP NA NA +PJ096280 SSTTTEYY C41H58N8O18 950.3869 NA PeJP NA NA +PJ096281 GPVEEEEY C41H58N8O18 950.387 NA PeJP NA NA +PJ096282 GSDDDMRR C34H58N14O16S 950.3876 NA PeJP NA NA +PJ096283 GGGGGGSSEMR C34H58N14O16S 950.3877 NA PeJP NA NA +PJ096284 SKEMMYY C42H62N8O13S2 950.3878 NA PeJP NA NA +PJ096285 SSDDRWW C42H54N12O14 950.3883 NA PeJP NA NA +PJ096286 GPCCEMRR C35H62N14O11S3 950.3885 NA PeJP NA NA +PJ096287 GCNNNHHR C35H54N18O12S 950.389 NA PeJP NA NA +PJ096288 CCQKHFW C43H58N12O9S2 950.3891 NA PeJP NA NA +PJ096289 PTCCRWW C43H58N12O9S2 950.3892 NA PeJP NA NA +PJ096290 GMWWWW C51H54N10O7S 950.3898 NA PeJP NA NA +PJ096291 ATLEEEEM C38H62N8O18S 950.3903 NA PeJP NA NA +PJ096292 APLEEMMM C39H66N8O13S3 950.3912 NA PeJP NA NA +PJ096293 GSSQQQMW C39H58N12O14S 950.3916 NA PeJP NA NA +PJ096294 SNEEMRW C39H58N12O14S 950.3917 NA PeJP NA NA +PJ096295 GSTEWWW C47H54N10O12 950.3923 NA PeJP NA NA +PJ096296 PCQMMRW C40H62N12O9S3 950.3925 NA PeJP NA NA +PJ096297 CDHHHFR C40H54N16O10S 950.393 NA PeJP NA NA +PJ096298 SSSQEEER C35H58N12O19 950.3941 NA PeJP NA NA +PJ096299 GGSSTEEER C35H58N12O19 950.3942 NA PeJP NA NA +PJ096300 QQEEMMR C36H62N12O14S2 950.395 NA PeJP NA NA +PJ096301 GGGGGGAKEMM C36H62N12O14S2 950.3951 NA PeJP NA NA +PJ096302 GSNDEHHR C36H54N16O15 950.3955 NA PeJP NA NA +PJ096303 GDKEMWW C44H58N10O12S 950.3957 NA PeJP NA NA +PJ096304 ACCKKMMH C37H66N12O9S4 950.3959 NA PeJP NA NA +PJ096305 AYYYWW C52H54N8O10 950.3963 NA PeJP NA NA +PJ096306 CCNNRRW C37H58N16O10S2 950.3964 NA PeJP NA NA +PJ096307 GMHHHFW C45H54N14O8S 950.397 NA PeJP NA NA +PJ096308 GSSKEEEW C40H58N10O17 950.3982 NA PeJP NA NA +PJ096309 SSCNNDRR C33H58N16O15S 950.3989 NA PeJP NA NA +PJ096310 VQQEMMW C41H62N10O12S2 950.399 NA PeJP NA NA +PJ096311 GGLQEMMW C41H62N10O12S2 950.3991 NA PeJP NA NA +PJ096312 SQQEHHW C41H54N14O13 950.3995 NA PeJP NA NA +PJ096313 AAMFYYW C49H58N8O10S 950.3997 NA PeJP NA NA +PJ096314 SSLQQEEM C37H62N10O17S 950.4015 NA PeJP NA NA +PJ096315 GTQKEEEM C37H62N10O17S 950.4016 NA PeJP NA NA +PJ096316 PVEEEYW C45H58N8O15 950.4022 NA PeJP NA NA +PJ096317 STTLMMMH C38H66N10O12S3 950.4024 NA PeJP NA NA +PJ096318 SCDERRW C38H58N14O13S 950.4029 NA PeJP NA NA +PJ096319 PCKMFYY C46H62N8O10S2 950.4031 NA PeJP NA NA +PJ096320 GNNQFWW C46H54N12O11 950.4035 NA PeJP NA NA +PJ096321 GGGGGQFWW C46H54N12O11 950.4036 NA PeJP NA NA +PJ096322 PCCMRRW C39H62N14O8S3 950.4038 NA PeJP NA NA +PJ096323 SSSDDERR C34H58N14O18 950.4054 NA PeJP NA NA +PJ096324 SSSTLMYY C42H62N8O15S 950.4056 NA PeJP NA NA +PJ096325 ATNNNMMR C35H62N14O13S2 950.4062 NA PeJP NA NA +PJ096326 NDEMMRR C35H62N14O13S2 950.4063 NA PeJP NA NA +PJ096327 CLKMMYY C43H66N8O10S3 950.4064 NA PeJP NA NA +PJ096328 GSEMRWW C43H58N12O11S 950.4069 NA PeJP NA NA +PJ096329 STWWWW C51H54N10O9 950.4075 NA PeJP NA NA +PJ096330 PNYWWW C51H54N10O9 950.4076 NA PeJP NA NA +PJ096331 TTTLEEEE C38H62N8O20 950.4081 NA PeJP NA NA +PJ096332 AVLEEEMM C39H66N8O15S2 950.4089 NA PeJP NA NA +PJ096333 GLLEEEMM C39H66N8O15S2 950.409 NA PeJP NA NA +PJ096334 GSSTEERW C39H58N12O16 950.4094 NA PeJP NA NA +PJ096335 PPTLMMMM C40H70N8O10S4 950.4098 NA PeJP NA NA +PJ096336 AQEMMRW C40H62N12O11S2 950.4103 NA PeJP NA NA +PJ096337 SNDHHRW C40H54N16O12 950.4107 NA PeJP NA NA +PJ096338 GGSDHHRW C40H54N16O12 950.4108 NA PeJP NA NA +PJ096339 DKMWWW C48H58N10O9S 950.4109 NA PeJP NA NA +PJ096340 GSDKEEMR C36H62N12O16S 950.4128 NA PeJP NA NA +PJ096341 SSKEEWW C44H58N10O14 950.4134 NA PeJP NA NA +PJ096342 GGGVVDDFW C44H58N10O14 950.4135 NA PeJP NA NA +PJ096343 GPTQMMMR C37H66N12O11S3 950.4137 NA PeJP NA NA +PJ096344 NQEMHHR C37H58N16O12S 950.4141 NA PeJP NA NA +PJ096345 GGGGGGPPCHR C37H58N16O12S 950.4142 NA PeJP NA NA +PJ096346 GLQMMWW C45H62N10O9S2 950.4143 NA PeJP NA NA +PJ096347 GTQHHWW C45H54N14O10 950.4148 NA PeJP NA NA +PJ096348 TQKEEMW C41H62N10O14S 950.4168 NA PeJP NA NA +PJ096349 KEYYYW C49H58N8O12 950.4174 NA PeJP NA NA +PJ096350 PPPEYYW C49H58N8O12 950.4175 NA PeJP NA NA +PJ096351 PQKMMMW C42H66N10O9S3 950.4177 NA PeJP NA NA +PJ096352 VNQMHHW C42H58N14O10S 950.4181 NA PeJP NA NA +PJ096353 GGVQMHHW C42H58N14O10S 950.4182 NA PeJP NA NA +PJ096354 SSDKKEEE C37H62N10O19 950.4193 NA PeJP NA NA +PJ096355 GVQKEEMM C38H66N10O14S2 950.4202 NA PeJP NA NA +PJ096356 SSSSNQRW C38H58N14O15 950.4206 NA PeJP NA NA +PJ096357 GGGGSSSTRW C38H58N14O15 950.4207 NA PeJP NA NA +PJ096358 PLEEMFW C46H62N8O12S 950.4208 NA PeJP NA NA +PJ096359 GDMMRRW C39H62N14O10S2 950.4215 NA PeJP NA NA +PJ096360 QQQHHHH C39H54N18O11 950.422 NA PeJP NA NA +PJ096361 SMRWWW C47H58N12O8S 950.4222 NA PeJP NA NA +PJ096362 TTTTTTYY C42H62N8O17 950.4233 NA PeJP NA NA +PJ096363 GSSEEMRR C35H62N14O15S 950.424 NA PeJP NA NA +PJ096364 LLEEMMW C43H66N8O12S2 950.4242 NA PeJP NA NA +PJ096365 SSTERWW C43H58N12O13 950.4247 NA PeJP NA NA +PJ096366 GPTCMMRR C36H66N14O10S3 950.4249 NA PeJP NA NA +PJ096367 CNEHHRR C36H58N18O11S 950.4254 NA PeJP NA NA +PJ096368 AAMMRWW C44H62N12O8S2 950.4255 NA PeJP NA NA +PJ096369 PTHHHHW C44H54N16O9 950.426 NA PeJP NA NA +PJ096370 STLLEEEM C39H66N8O17S 950.4267 NA PeJP NA NA +PJ096371 SPLLEMMM C40H70N8O12S3 950.4276 NA PeJP NA NA +PJ096372 SDKEMRW C40H62N12O13S 950.428 NA PeJP NA NA +PJ096373 GGGGGTTKMW C40H62N12O13S 950.4281 NA PeJP NA NA +PJ096374 SSSLWWW C48H58N10O11 950.4287 NA PeJP NA NA +PJ096375 PCKMMRW C41H66N12O8S3 950.4289 NA PeJP NA NA +PJ096376 GQMHHRW C41H58N16O9S 950.4294 NA PeJP NA NA +PJ096377 SSSKEEER C36H62N12O18 950.4305 NA PeJP NA NA +PJ096378 GGGSSSDKKE C36H62N12O18 950.4306 NA PeJP NA NA +PJ096379 QKEEMMR C37H66N12O13S2 950.4314 NA PeJP NA NA +MJ098495 Cylindramide; 17,29-Didehydro, Mg salt (2:1) C54H62MgN4O10 950.431636 NA MeJP NA NA +PJ096380 NNNDRRY C37H58N16O14 950.4319 NA PeJP NA NA +PJ096381 STLQMWW C45H62N10O11S 950.432 NA PeJP NA NA +PJ096382 ATKEMWW C45H62N10O11S 950.4321 NA PeJP NA NA +PJ096383 AAFFFYW C53H58N8O9 950.4327 NA PeJP NA NA +PJ096384 APCCKHHR C38H62N16O9S2 950.4328 NA PeJP NA NA +PJ096385 NNHHHHR C38H54N20O10 950.4332 NA PeJP NA NA +PJ096386 SSSSSPTLW C41H62N10O16 950.4345 NA PeJP NA NA +PJ096387 GTTTKEEW C41H62N10O16 950.4346 NA PeJP NA NA +PJ096388 SSSNNMRR C34H62N16O14S 950.4352 NA PeJP NA NA +PJ096389 GGSSSNMRR C34H62N16O14S 950.4353 NA PeJP NA NA +PJ096390 VQKEMMW C42H66N10O11S2 950.4354 NA PeJP NA NA +PJ096391 GGGAAPLMMF C42H66N10O11S2 950.4355 NA PeJP NA NA +MJ098496 13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-glucopyranoside], ?-D-glucopyranosyl ester C44H70O22 950.435873 NA MeJP NA NA +PJ096392 GNQQRYW C42H58N14O12 950.4359 NA PeJP NA NA +PJ096393 PCKFFFY C50H62N8O9S 950.4361 NA PeJP NA NA +PJ096394 GTKKEEEM C38H66N10O16S 950.4379 NA PeJP NA NA +PJ096395 VLEEEFW C46H62N8O14 950.4386 NA PeJP NA NA +PJ096396 GPKKEMMM C39H70N10O11S3 950.4388 NA PeJP NA NA +PJ096397 SSEMRRW C39H62N14O12S 950.4393 NA PeJP NA NA +PJ096398 CLKMFFY C47H66N8O9S2 950.4395 NA PeJP NA NA +PJ096399 GSPRYWW C47H58N12O10 950.4399 NA PeJP NA NA +PJ096400 GCHHRRW C40H58N18O8S 950.4406 NA PeJP NA NA +PJ096401 SSSTEERR C35H62N14O17 950.4418 NA PeJP NA NA +PJ096402 GPLLEEMY C43H66N8O14S 950.442 NA PeJP NA NA +PJ096403 TQEMMRR C36H66N14O12S2 950.4426 NA PeJP NA NA +PJ096404 GATEMMRR C36H66N14O12S2 950.4427 NA PeJP NA NA +PJ096405 PPVVMMMF C44H70N8O9S3 950.4428 NA PeJP NA NA +PJ096406 GSSDHHRR C36H58N18O13 950.4431 NA PeJP NA NA +PJ096407 ATTMRWW C44H62N12O10S 950.4433 NA PeJP NA NA +PJ096408 VQFWWW C52H58N10O8 950.4439 NA PeJP NA NA +PJ096409 GGLFWWW C52H58N10O8 950.444 NA PeJP NA NA +PJ096410 SVLLEEMM C40H70N8O14S2 950.4453 NA PeJP NA NA +PJ096411 SSSSLERW C40H62N12O15 950.4458 NA PeJP NA NA +PJ096412 PVVLMMMM C41H74N8O9S4 950.4462 NA PeJP NA NA +PJ096413 AKEMMRW C41H66N12O10S2 950.4467 NA PeJP NA NA +PJ096414 STQHHRW C41H58N16O11 950.4471 NA PeJP NA NA +PJ096415 GGGGPQHRW C41H58N16O11 950.4472 NA PeJP NA NA +PJ096416 GPKMFWW C49H62N10O8S 950.4473 NA PeJP NA NA +PJ096417 GTTKEEMR C37H66N12O15S 950.4492 NA PeJP NA NA +PJ096418 TTTKEWW C45H62N10O13 950.4498 NA PeJP NA NA +PJ096419 GPTKMMMR C38H70N12O10S3 950.45 NA PeJP NA NA +PJ096420 GGGVLMMMR C38H70N12O10S3 950.4501 NA PeJP NA NA +PJ096421 NNNMFRR C38H62N16O11S 950.4505 NA PeJP NA NA +PJ096422 GLKMMWW C46H66N10O8S2 950.4507 NA PeJP NA NA +PJ096423 GTKHHWW C46H58N14O9 950.4512 NA PeJP NA NA +PJ096424 GSSSSSQRR C34H62N16O16 950.453 NA PeJP NA NA +PJ096425 TKKEEMW C42H66N10O13S 950.4532 NA PeJP NA NA +PJ096426 PPLEFYW C50H62N8O11 950.4538 NA PeJP NA NA +MJ098497 Stelladelin C C50H62N8O11 950.453804 NA MeJP NA NA +PJ096427 SDMMRRR C35H66N16O11S2 950.4539 NA PeJP NA NA +PJ096428 PKKMMMW C43H70N10O8S3 950.4541 NA PeJP NA NA +PJ096429 APCRRYW C43H62N14O9S 950.4545 NA PeJP NA NA +PJ096430 AFRWWW C51H58N12O7 950.4552 NA PeJP NA NA +PJ096431 STTKKEEE C38H66N10O18 950.4557 NA PeJP NA NA +PJ096432 VTTLQQMM C39H70N10O13S2 950.4565 NA PeJP NA NA +PJ096433 GVKKEEMM C39H70N10O13S2 950.4566 NA PeJP NA NA +PJ096434 SSSSNKRW C39H62N14O14 950.457 NA PeJP NA NA +PJ096435 GGGGGGGTLRY C39H62N14O14 950.4571 NA PeJP NA NA +PJ096436 PLLEMYW C47H66N8O11S 950.4572 NA PeJP NA NA +PJ096437 ATMMRRW C40H66N14O9S2 950.4579 NA PeJP NA NA +PJ096438 VEHHHHR C40H58N18O10 950.4584 NA PeJP NA NA +PJ096439 GVLLEEEY C43H66N8O16 950.4597 NA PeJP NA NA +PJ096440 GTTTEMRR C36H66N14O14S 950.4604 NA PeJP NA NA +PJ096441 SPPLLMMY C44H70N8O11S2 950.4606 NA PeJP NA NA +PJ096442 TTTTRWW C44H62N12O12 950.461 NA PeJP NA NA +PJ096443 GLQERYW C44H62N12O12 950.4611 NA PeJP NA NA +PJ096444 VQMMMRR C37H70N14O9S3 950.4613 NA PeJP NA NA +PJ096445 SQMHHRR C37H62N18O10S 950.4617 NA PeJP NA NA +PJ096446 GGTMHHRR C37H62N18O10S 950.4618 NA PeJP NA NA +PJ096447 VVHHHHW C45H58N16O8 950.4624 NA PeJP NA NA +PJ096448 ALLLEMMM C41H74N8O11S3 950.464 NA PeJP NA NA +PJ096449 TTKEMRW C41H66N12O12S 950.4644 NA PeJP NA NA +PJ096450 GGGGGGALKMF C41H66N12O12S 950.4645 NA PeJP NA NA +PJ096451 APTKYWW C49H62N10O10 950.4651 NA PeJP NA NA +PJ096452 PPCHRRW C42H62N16O8S 950.4658 NA PeJP NA NA +PJ096453 STTTKEER C37H66N12O17 950.4669 NA PeJP NA NA +PJ096454 KKEEMMR C38H70N12O12S2 950.4678 NA PeJP NA NA +PJ096455 GDERRRY C38H62N16O13 950.4683 NA PeJP NA NA +PJ096456 STLKMWW C46H66N10O10S 950.4684 NA PeJP NA NA +PJ096457 GGPLKMYW C46H66N10O10S 950.4685 NA PeJP NA NA +PJ096458 SSTTLKEW C42H66N10O15 950.4709 NA PeJP NA NA +PJ096459 GPTKKEEY C42H66N10O15 950.471 NA PeJP NA NA +PJ096460 SSSCQKRR C35H66N16O13S 950.4716 NA PeJP NA NA +PJ096461 VKKEMMW C43H70N10O10S2 950.4718 NA PeJP NA NA +PJ096462 AAERRYW C43H62N14O11 950.4723 NA PeJP NA NA +PJ096463 AMMMRRR C36H70N16O8S3 950.4725 NA PeJP NA NA +PJ096464 SCHHRRR C36H62N20O9S 950.473 NA PeJP NA NA +PJ096465 SSLKKEEM C39H70N10O15S 950.4743 NA PeJP NA NA +PJ096466 VLLEEYW C47H66N8O13 950.475 NA PeJP NA NA +PJ096467 SPVKKMMM C40H74N10O10S3 950.4752 NA PeJP NA NA +PJ096468 NQQKMFR C40H66N14O11S 950.4756 NA PeJP NA NA +PJ096469 TTTMRRW C40H66N14O11S 950.4757 NA PeJP NA NA +PJ096470 LQRYWW C48H62N12O9 950.4763 NA PeJP NA NA +PJ096471 STTTTERR C36H66N14O16 950.4782 NA PeJP NA NA +PJ096472 SPVLLEMY C44H70N8O13S 950.4783 NA PeJP NA NA +PJ096473 GLLLEEMF C44H70N8O13S 950.4784 NA PeJP NA NA +PJ096474 TKEMMRR C37H70N14O11S2 950.479 NA PeJP NA NA +PJ096475 PDDHRRR C37H62N18O12 950.4795 NA PeJP NA NA +PJ096476 APKMRYW C45H66N12O9S 950.4797 NA PeJP NA NA +PJ096477 VKFWWW C53H62N10O7 950.4803 NA PeJP NA NA +PJ096478 TTLLLEMM C41H74N8O13S2 950.4817 NA PeJP NA NA +PJ096479 SSTTTLRW C41H66N12O14 950.4822 NA PeJP NA NA +PJ096480 SLKMMRW C42H70N12O9S2 950.483 NA PeJP NA NA +PJ096481 CQKKKMW C42H70N12O9S2 950.4831 NA PeJP NA NA +PJ096482 DRRRYW C42H62N16O10 950.4835 NA PeJP NA NA +PJ096483 STTLDKMR C38H70N12O14S 950.4855 NA PeJP NA NA +PJ096484 SSTLKEMR C38H70N12O14S 950.4856 NA PeJP NA NA +PJ096485 PTKKEYW C46H66N10O12 950.4862 NA PeJP NA NA +PJ096486 AALKMMMR C39H74N12O9S3 950.4864 NA PeJP NA NA +PJ096487 PTCRRRY C39H66N16O10S 950.4869 NA PeJP NA NA +PJ096488 TFRRWW C47H62N14O8 950.4875 NA PeJP NA NA +PJ096489 GPLHRWW C47H62N14O8 950.4876 NA PeJP NA NA +PJ096490 GSSSSSKRR C35H66N16O15 950.4894 NA PeJP NA NA +PJ096491 SSSLLKMW C43H70N10O12S 950.4896 NA PeJP NA NA +C11851 Zn-Bacterio-chlorophyll a C55H74N4O6Zn 950.49 NA KEGG NA NA +C11852 Transferred to D02390 C55H74N4O6Zn 950.49 NA KEGG NA NA +PJ096492 PPLLYYW C51H66N8O10 950.4902 NA PeJP NA NA +PJ096493 TTMMRRR C36H70N16O10S2 950.4903 NA PeJP NA NA +PJ096494 GVMFRRW C44H66N14O8S 950.4909 NA PeJP NA NA +PJ096495 SSSSTLLKE C39H70N10O17 950.4921 NA PeJP NA NA +PJ096496 STLLQKMM C40H74N10O12S2 950.4929 NA PeJP NA NA +PJ096497 ATLKKEMM C40H74N10O12S2 950.493 NA PeJP NA NA +PJ096498 AKEERRY C40H66N14O13 950.4934 NA PeJP NA NA +PJ096499 GGGGGGGGLLLH C40H66N14O13 950.4935 NA PeJP NA NA +PJ096500 LLLEMFW C48H70N8O10S 950.4936 NA PeJP NA NA +PJ096501 CCKKKRW C41H70N14O8S2 950.4943 NA PeJP NA NA +PJ096502 AQHHFRR C41H62N18O9 950.4948 NA PeJP NA NA +PJ096503 ATLLLEEY C44H70N8O15 950.4961 NA PeJP NA NA +PJ096504 SSTTLMRR C37H70N14O13S 950.4968 NA PeJP NA NA +PJ096505 APLLLMMY C45H74N8O10S2 950.497 NA PeJP NA NA +PJ096506 GLKERYW C45H66N12O11 950.4974 NA PeJP NA NA +PJ096507 GGGGVKKYW C45H66N12O11 950.4975 NA PeJP NA NA +PJ096508 VKMMMRR C38H74N14O8S3 950.4977 NA PeJP NA NA +PJ096509 SKMHHRR C38H66N18O9S 950.4981 NA PeJP NA NA +PJ096510 SLLLLMMM C42H78N8O10S3 950.5003 NA PeJP NA NA +PJ096511 GSSKKKMW C42H70N12O11S 950.5008 NA PeJP NA NA +PJ096512 GVLKYWW C50H66N10O9 950.5015 NA PeJP NA NA +PJ096513 MFRRRW C43H66N16O7S 950.5022 NA PeJP NA NA +PJ096514 SSSSTTLLR C38H70N12O16 950.5033 NA PeJP NA NA +PJ096515 ATTLKMMR C39H74N12O11S2 950.5042 NA PeJP NA NA +PJ096516 SNQKRRY C39H66N16O12 950.5046 NA PeJP NA NA +PJ096517 ATERRRY C39H66N16O12 950.5047 NA PeJP NA NA +PJ096518 PVKKMYW C47H70N10O9S 950.5048 NA PeJP NA NA +PJ096519 TTTTTLKW C43H70N10O14 950.5073 NA PeJP NA NA +PJ096520 AAPPPLKEE C43H70N10O14 950.5074 NA PeJP NA NA +PJ096521 SSSCKKRR C36H70N16O12S 950.508 NA PeJP NA NA +PJ096522 GPLKKMMF C44H74N10O9S2 950.5082 NA PeJP NA NA +MJ098498 Furostane-2,3,22,26-tetrol, 22-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside C46H78O20 950.508644 NA MeJP NA NA +PJ096523 GTLRRYW C44H66N14O10 950.5087 NA PeJP NA NA +PJ096524 TTTLKKEM C40H74N10O14S 950.5107 NA PeJP NA NA +PJ096525 SPPVLLYY C48H70N8O12 950.5114 NA PeJP NA NA +PJ096526 GLLKKMMM C41H78N10O9S3 950.5116 NA PeJP NA NA +PJ096527 PTKMRRY C41H70N14O10S 950.512 NA PeJP NA NA +PJ096528 GGVLMRRY C41H70N14O10S 950.5121 NA PeJP NA NA +PJ096529 LKRYWW C49H66N12O8 950.5127 NA PeJP NA NA +PJ096530 GSSSTTKKR C37H70N14O15 950.5145 NA PeJP NA NA +PJ096531 GLLLLEMY C45H74N8O12S 950.5147 NA PeJP NA NA +PJ096532 GTCKKKMR C38H74N14O10S2 950.5154 NA PeJP NA NA +PJ096533 PTEHRRR C38H66N18O11 950.5159 NA PeJP NA NA +PJ096534 ALKMFRW C46H70N12O8S 950.5161 NA PeJP NA NA +PJ096535 SSSTKKKW C42H70N12O13 950.5186 NA PeJP NA NA +PJ096536 CKKKKMW C43H74N12O8S2 950.5194 NA PeJP NA NA +PJ096537 SPLHRRW C43H66N16O9 950.5199 NA PeJP NA NA +PJ096538 TTTTLKMR C39H74N12O13S 950.5219 NA PeJP NA NA +PJ096539 VVKKEYW C47H70N10O11 950.5226 NA PeJP NA NA +PJ096540 GLMRRRY C40H70N16O9S 950.5233 NA PeJP NA NA +PJ096541 APTLKKMY C44H74N10O11S 950.526 NA PeJP NA NA +PJ096542 PLLLFYW C52H70N8O9 950.5266 NA PeJP NA NA +PJ096543 AQQHRRR C37H66N20O10 950.5271 NA PeJP NA NA +PJ096544 SSTTTTLLK C40H74N10O16 950.5285 NA PeJP NA NA +PJ096545 STLLKKMM C41H78N10O11S2 950.5293 NA PeJP NA NA +PJ096546 SLKERRY C41H70N14O12 950.5298 NA PeJP NA NA +PJ096547 LLLLMYW C49H74N8O9S 950.53 NA PeJP NA NA +PJ096548 AKHHFRR C42H66N18O8 950.5312 NA PeJP NA NA +PJ096549 STLLLLEY C45H74N8O14 950.5325 NA PeJP NA NA +PJ096550 SSSKKKMR C38H74N14O12S 950.5332 NA PeJP NA NA +PJ096551 ALLLLMMF C46H78N8O9S2 950.5334 NA PeJP NA NA +PJ096552 SVLKRYW C46H70N12O10 950.5338 NA PeJP NA NA +PJ096553 PVMHRRR C39H70N18O8S 950.5345 NA PeJP NA NA +PJ096554 LLQKMRY C43H74N12O10S 950.5372 NA PeJP NA NA +PJ096555 PVKKFFW C51H70N10O8 950.5379 NA PeJP NA NA +PJ096556 GNHRRRR C36H66N22O9 950.5384 NA PeJP NA NA +PJ096557 SSSSSLKKK C39H74N12O15 950.5397 NA PeJP NA NA +PJ096558 GTKKKKMM C40H78N12O10S2 950.5406 NA PeJP NA NA +PJ096559 STLRRRY C40H70N16O11 950.541 NA PeJP NA NA +PJ096560 GALLEHRR C40H70N16O11 950.5411 NA PeJP NA NA +PJ096561 VLKKMFW C48H74N10O8S 950.5412 NA PeJP NA NA +PJ096562 GTLLKKEY C44H74N10O13 950.5437 NA PeJP NA NA +PJ096563 VLLQHRW C45H70N14O9 950.5451 NA PeJP NA NA +PJ096564 GPLLLLYY C49H74N8O11 950.5477 NA PeJP NA NA +PJ096565 GLLLLEFF C49H74N8O11 950.5478 NA PeJP NA NA +PJ096566 VVKMRRY C42H74N14O9S 950.5484 NA PeJP NA NA +PJ096567 SVLLLLMY C46H78N8O11S 950.5511 NA PeJP NA NA +PJ096568 VVEHRRR C39H70N18O10 950.5523 NA PeJP NA NA +PJ096569 QKKKKEY C43H74N12O12 950.5549 NA PeJP NA NA +PJ096570 GTTLLKRY C43H74N12O12 950.555 NA PeJP NA NA +PJ096571 ALLHRRW C44H70N16O8 950.5563 NA PeJP NA NA +PJ096572 STTKKKKM C40H78N12O12S 950.5583 NA PeJP NA NA +PJ096573 TLLKKYW C48H74N10O10 950.559 NA PeJP NA NA +MJ098499 Actinoplanic acid B C51H82O16 950.560286 NA MeJP NA NA +PJ096574 GVLLKKMY C45H78N10O10S 950.5624 NA PeJP NA NA +PJ096575 LLLLFFW C53H74N8O8 950.563 NA PeJP NA NA +PJ096576 PPNRRRR C38H70N20O9 950.5635 NA PeJP NA NA +PJ096577 TQKKKRY C42H74N14O11 950.5662 NA PeJP NA NA +PJ096578 AKKKKYW C47H74N12O9 950.5702 NA PeJP NA NA +PJ096579 LLKKMRY C44H78N12O9S 950.5736 NA PeJP NA NA +PJ096580 LLKEHRR C41H74N16O10 950.5774 NA PeJP NA NA +PJ096581 SSLLLKKY C45H78N10O12 950.5801 NA PeJP NA NA +PJ096582 VLLKHRW C46H74N14O8 950.5814 NA PeJP NA NA +PJ096583 GLLLLLFY C50H78N8O10 950.5841 NA PeJP NA NA +PJ096584 TLLHRRR C40H74N18O9 950.5887 NA PeJP NA NA +PJ096585 KKKKKEY C44H78N12O11 950.5913 NA PeJP NA NA +PJ096586 PPVLLKER C44H78N12O11 950.5914 NA PeJP NA NA +PJ096587 PPVVLLKW C49H78N10O9 950.5954 NA PeJP NA NA +MJ098500 Didemnaketal B C52H86O15 950.596672 NA MeJP NA NA +PJ096588 VLLLLLMH C46H82N10O9S 950.5987 NA PeJP NA NA +PJ096589 AKKHRRR C39H74N20O8 950.5999 NA PeJP NA NA +PJ096590 TKKKKRY C43H78N14O10 950.6026 NA PeJP NA NA +PJ096591 LLKKFFR C48H78N12O8 950.6066 NA PeJP NA NA +PJ096592 GPPLKKRR C42H78N16O9 950.6138 NA PeJP NA NA +PJ096593 GPPTLLLLK C46H82N10O11 950.6165 NA PeJP NA NA +PJ096594 VKKKHRR C41H78N18O8 950.625 NA PeJP NA NA +PJ096595 PVLLLLQR C45H82N12O10 950.6277 NA PeJP NA NA +PJ096596 APLLLLRR C44H82N14O9 950.639 NA PeJP NA NA +PJ096597 AAPLLLLLK C47H86N10O10 950.6529 NA PeJP NA NA +PJ096598 PVLLLLKR C46H86N12O9 950.6641 NA PeJP NA NA +HMDB05478 TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) C63H98O6 950.736328 NA HMDB2010 NA NA +HMDB10515 TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C63H98O6 950.736328 NA HMDB2010 NA NA +HMDB10535 TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C63H98O6 950.736328 NA HMDB2010 NA NA +HMDB10537 TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C63H98O6 950.736328 NA HMDB2010 NA NA +HMDB05478 TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) C63H98O6 950.73633 http://www.hmdb.ca/metabolites/HMDB05478 HMDB NA NA +HMDB05478 TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) C63H98O6 950.73633 HMDB05478 PFEM_hmdb_metabocards_official NA NA +3904 Dm-AMP2 EVCEKASKTWSGNCGNTTGHC 950.9339 MH2+ Inhouse_peptide NA peptide +PJ096599 PCCCCCCCD C30H49N9O12S7 951.1546 NA PeJP NA NA +PJ096600 GCCCCCDDM C30H49N9O14S6 951.1724 NA PeJP NA NA +PJ096601 SCCCCCCNN C29H49N11O13S6 951.1836 NA PeJP NA NA +PJ096602 CCCCCCEW C34H49N9O11S6 951.1876 NA PeJP NA NA +PJ096603 SSCCCCCDE C30H49N9O16S5 951.1901 NA PeJP NA NA +PJ096604 SPCCCCCCM C31H53N9O11S7 951.191 NA PeJP NA NA +PJ096605 GSCCCCDMM C31H53N9O13S6 951.2087 NA PeJP NA NA +PJ096606 ASCCCCCEM C31H53N9O13S6 951.2088 NA PeJP NA NA +PJ096607 CCCCNDEY C34H49N9O15S4 951.2231 NA PeJP NA NA +PJ096608 TCCCCCMW C35H53N9O10S6 951.224 NA PeJP NA NA +PJ096609 SSSCCCCEM C31H53N9O15S5 951.2265 NA PeJP NA NA +PJ096610 CCCCQMMM C32H57N9O10S7 951.2274 NA PeJP NA NA +PJ096611 GSCCCCCHH C32H49N13O11S5 951.2279 NA PeJP NA NA +PJ096612 GPCCCCDDH C33H49N11O14S4 951.2344 NA PeJP NA NA +PJ096613 GCCCCDYW C38H49N9O12S4 951.2384 NA PeJP NA NA +PJ096614 CCCCCMMR C31H57N11O9S7 951.2386 NA PeJP NA NA +C16354 Albireodelphin C42H47O25 951.2406 NA KEGG NA NA +FL7AAGGL0039 Delphinidin 3,3'-di-glucoside-5-(6-caffeoylglucoside) C42H47O25 951.24064 198645-07-7 knapsack NA NA +PJ096615 GSSCCCDDY C34H49N9O17S3 951.2409 NA PeJP NA NA +PJ096616 GPTCCCCCY C35H53N9O12S5 951.2418 NA PeJP NA NA +PJ096617 GSSCCCMMM C32H57N9O12S6 951.2451 NA PeJP NA NA +PJ096618 CCNDDDMH C33H49N11O16S3 951.2521 NA PeJP NA NA +PJ096619 CCCCCDFR C34H53N11O11S5 951.253 NA PeJP NA NA +PJ096620 GCCCCMFW C39H53N9O9S5 951.257 NA PeJP NA NA +PJ096621 NDDDDDDE C33H45N9O24 951.2578 NA PeJP NA NA +PJ096622 SCCCNEMY C35H53N9O14S4 951.2595 NA PeJP NA NA +PJ096623 SSSTCCCMM C32H57N9O14S5 951.2629 NA PeJP NA NA +PJ096624 GSCCCNNDH C32H49N13O15S3 951.2634 NA PeJP NA NA +PJ096625 CCCCKMMM C33H61N9O9S7 951.2638 NA PeJP NA NA +PJ096626 GCCCDEHW C37H49N11O13S3 951.2674 NA PeJP NA NA +PJ096627 GSSCCDDEH C33H49N11O18S2 951.2699 NA PeJP NA NA +PJ096628 SCCCCDRY C34H53N11O13S4 951.2708 NA PeJP NA NA +PJ096629 GDDDDDDW C37H45N9O21 951.2731 NA PeJP NA NA +PJ096630 GCCNDDYY C38H49N9O16S2 951.2739 NA PeJP NA NA +PJ096631 GSCCCMYW C39H53N9O11S4 951.2748 NA PeJP NA NA +PJ096632 GSPCDDDDE C34H49N9O21S 951.2764 NA PeJP NA NA +PJ096633 GSSSCCDMY C35H53N9O16S3 951.2773 NA PeJP NA NA +PJ096634 GCCNMMMY C36H57N9O11S5 951.2781 NA PeJP NA NA +PJ096635 GGGCCMMMY C36H57N9O11S5 951.2782 NA PeJP NA NA +PJ096636 CCCNNQMH C33H53N13O12S4 951.282 NA PeJP NA NA +PJ096637 CCCDHWW C41H49N11O10S3 951.2826 NA PeJP NA NA +PJ096638 SSCCDDHW C37H49N11O15S2 951.2851 NA PeJP NA NA +PJ096639 PTCCCCHW C38H53N11O10S4 951.286 NA PeJP NA NA +PJ096640 SSSSCDDDH C33H49N11O20S 951.2876 NA PeJP NA NA +PJ096641 GGNNDDDDM C33H49N11O20S 951.2877 NA PeJP NA NA +PJ096642 SCNDDMMH C34H53N11O15S3 951.2885 NA PeJP NA NA +PJ096643 ACCCCMRY C35H57N11O10S5 951.2894 NA PeJP NA NA +PJ096644 SPCDDDDW C38H49N9O18S 951.2917 NA PeJP NA NA +PJ096645 SSTCCCYW C39H53N9O13S3 951.2925 NA PeJP NA NA +PJ096646 CCCCNNHR C32H53N15O11S4 951.2932 NA PeJP NA NA +PJ096647 SNDDDEEE C34H49N9O23 951.2942 NA PeJP NA NA +PJ096648 SSSSSCCEY C35H53N9O18S2 951.295 NA PeJP NA NA +PJ096649 GGPDDDDMM C35H53N9O18S2 951.2951 NA PeJP NA NA +PJ096650 SSCCQMMY C36H57N9O13S4 951.2959 NA PeJP NA NA +PJ096651 GSCNNNNDD C32H49N13O19S 951.2989 NA PeJP NA NA +PJ096652 DDDMMYY C40H53N7O16S2 951.2991 NA PeJP NA NA +PJ096653 GSSCCNNMH C33H53N13O14S3 951.2997 NA PeJP NA NA +PJ096654 SCCCDEHR C33H53N13O14S3 951.2998 NA PeJP NA NA +PJ096655 PCCCCMHR C34H57N13O9S5 951.3006 NA PeJP NA NA +PJ096656 GCNNDDEW C37H49N11O17S 951.3029 NA PeJP NA NA +PJ096657 DMMMMMY C38H61N7O11S5 951.3033 NA PeJP NA NA +PJ096658 GSCCEMHW C38H53N11O12S3 951.3038 NA PeJP NA NA +PJ096659 SDDDDDDR C33H49N11O22 951.3054 NA PeJP NA NA +PJ096660 PCCDDDER C34H53N11O17S2 951.3063 NA PeJP NA NA +PJ096661 SSCCCMRY C35H57N11O12S4 951.3071 NA PeJP NA NA +PJ096662 GGGCEMMMH C35H57N11O12S4 951.3072 NA PeJP NA NA +PJ096663 SCCNDHHH C35H49N15O13S2 951.3076 NA PeJP NA NA +PJ096664 CCCQFYW C43H53N9O10S3 951.3078 NA PeJP NA NA +PJ096665 GSDDDEEW C38H49N9O20 951.3094 NA PeJP NA NA +PJ096666 GPCDDEMW C39H53N9O15S2 951.3103 NA PeJP NA NA +PJ096667 GCCNMMFF C40H57N9O10S4 951.3112 NA PeJP NA NA +PJ096668 GNDEEEEM C35H53N9O20S 951.3128 NA PeJP NA NA +PJ096669 DDDDFYY C43H49N7O18 951.3134 NA PeJP NA NA +PJ096670 GSSSSCMMY C36H57N9O15S3 951.3137 NA PeJP NA NA +PJ096671 PCNDDDHH C36H49N13O16S 951.3141 NA PeJP NA NA +PJ096672 GGPCDDDHH C36H49N13O16S 951.3142 NA PeJP NA NA +PJ096673 ACCCKMMY C37H61N9O10S5 951.3145 NA PeJP NA NA +PJ096674 SSSSCCNQH C33H53N13O16S2 951.3175 NA PeJP NA NA +PJ096675 DDMMMFY C41H57N7O13S3 951.3177 NA PeJP NA NA +PJ096676 CNNDDWW C41H49N11O14S 951.3182 NA PeJP NA NA +PJ096677 GCCDMMHR C34H57N13O11S4 951.3184 NA PeJP NA NA +PJ096678 SCCMHWW C42H53N11O9S3 951.319 NA PeJP NA NA +PJ096679 SSNNDDDW C37H49N11O19 951.3207 NA PeJP NA NA +PJ096680 SSSCDMHW C38H53N11O14S2 951.3215 NA PeJP NA NA +PJ096681 MMMMMMF C39H65N7O8S6 951.3219 NA PeJP NA NA +PJ096682 CNMMMHW C39H57N11O9S4 951.3224 NA PeJP NA NA +PJ096683 GDDDDEMR C34H53N11O19S 951.324 NA PeJP NA NA +PJ096684 GGGGGGSDEEM C34H53N11O19S 951.3241 NA PeJP NA NA +PJ096685 SDDDEWW C42H49N9O17 951.3247 NA PeJP NA NA +PJ096686 SSNDMMMH C35H57N11O14S3 951.3249 NA PeJP NA NA +PJ096687 SCCQYYW C43H53N9O12S2 951.3255 NA PeJP NA NA +PJ096688 PCDDMWW C43H53N9O12S2 951.3256 NA PeJP NA NA +PJ096689 PCCCKMMH C36H61N11O9S5 951.3258 NA PeJP NA NA +PJ096690 GCCQMHHH C36H53N15O10S3 951.3262 NA PeJP NA NA +PJ096691 GGACCMHHH C36H53N15O10S3 951.3263 NA PeJP NA NA +PJ096692 NDEEEMW C39H53N9O17S 951.328 NA PeJP NA NA +PJ096693 GGDEEEMW C39H53N9O17S 951.3281 NA PeJP NA NA +PJ096694 CCNNNNDR C32H53N15O15S2 951.3287 NA PeJP NA NA +PJ096695 GGGGCCNNDR C32H53N15O15S2 951.3288 NA PeJP NA NA +PJ096696 SPPCCEMW C40H57N9O12S3 951.3289 NA PeJP NA NA +PJ096697 SSNEEEEE C35H53N9O22 951.3305 NA PeJP NA NA +PJ096698 GGSSEEEEE C35H53N9O22 951.3306 NA PeJP NA NA +PJ096699 SSSSSTCMY C36H57N9O17S2 951.3314 NA PeJP NA NA +PJ096700 GNDDEEHH C36H49N13O18 951.3319 NA PeJP NA NA +PJ096701 PCDEYYY C44H53N7O15S 951.3321 NA PeJP NA NA +PJ096702 SSCCKMMY C37H61N9O12S4 951.3323 NA PeJP NA NA +PJ096703 GCNNNNMW C37H53N13O13S2 951.3328 NA PeJP NA NA +PJ096704 ASSCNNNNE C33H53N13O18S 951.3352 NA PeJP NA NA +PJ096705 SCNNDDER C33H53N13O18S 951.3353 NA PeJP NA NA +PJ096706 SEEMMYY C41H57N7O15S2 951.3354 NA PeJP NA NA +PJ096707 SSCCEMHR C34H57N13O13S3 951.3361 NA PeJP NA NA +PJ096708 GGGGPCCDMR C34H57N13O13S3 951.3362 NA PeJP NA NA +PJ096709 DMMMMFF C42H61N7O10S4 951.3363 NA PeJP NA NA +PJ096710 GSPCCNWW C42H53N11O11S2 951.3368 NA PeJP NA NA +PJ096711 GCCCHHHR C35H53N17O9S3 951.3375 NA PeJP NA NA +PJ096712 DDDDMRW C38H53N11O16S 951.3393 NA PeJP NA NA +PJ096713 CCNMRYY C39H57N11O11S3 951.3401 NA PeJP NA NA +PJ096714 GSTCMMHW C39H57N11O11S3 951.3402 NA PeJP NA NA +PJ096715 SSDDDEER C34H53N11O21 951.3418 NA PeJP NA NA +PJ096716 SSSSCCLEH C35H57N11O16S2 951.3426 NA PeJP NA NA +PJ096717 SPCDDEMR C35H57N11O16S2 951.3427 NA PeJP NA NA +PJ096718 SNNNDDHH C35H49N15O17 951.3431 NA PeJP NA NA +PJ096719 GGGGGGSDDHH C35H49N15O17 951.3432 NA PeJP NA NA +PJ096720 GDEEMWW C43H53N9O14S 951.3433 NA PeJP NA NA +PJ096721 PPCCDMMR C36H61N11O11S4 951.3435 NA PeJP NA NA +PJ096722 SSCNMHHH C36H53N15O12S2 951.344 NA PeJP NA NA +PJ096723 CCCKFYW C44H57N9O9S3 951.3442 NA PeJP NA NA +PJ096724 GSSEEEEW C39H53N9O19 951.3458 NA PeJP NA NA +PJ096725 GSPDEMMW C40H57N9O14S2 951.3467 NA PeJP NA NA +PJ096726 NDDEHHW C40H49N13O15 951.3471 NA PeJP NA NA +PJ096727 GGDDEHHW C40H49N13O15 951.3472 NA PeJP NA NA +PJ096728 GPPCMMMW C41H61N9O9S4 951.3476 NA PeJP NA NA +PJ096729 GTQEEEEM C36H57N9O19S 951.3492 NA PeJP NA NA +PJ096730 GEEEYYY C44H53N7O17 951.3498 NA PeJP NA NA +PJ096731 GPPTTCDMM C37H61N9O14S3 951.35 NA PeJP NA NA +PJ096732 GPQEEMMM C37H61N9O14S3 951.3501 NA PeJP NA NA +PJ096733 GSCNDDRW C37H53N13O15S 951.3505 NA PeJP NA NA +PJ096734 GGGGGGGGGGPCY C37H53N13O15S 951.3506 NA PeJP NA NA +PJ096735 PCEMFYY C45H57N7O12S2 951.3507 NA PeJP NA NA +PJ096736 GPCCCQRW C38H57N13O10S3 951.3514 NA PeJP NA NA +PJ096737 ACCHFWW C46H53N11O8S2 951.352 NA PeJP NA NA +PJ096738 GSSSNDDDR C33H53N13O20 951.353 NA PeJP NA NA +PJ096739 GNNDDMMR C34H57N13O15S2 951.3539 NA PeJP NA NA +PJ096740 VDMMMYY C42H61N7O12S3 951.3541 NA PeJP NA NA +PJ096741 SNNDMWW C42H53N11O13S 951.3545 NA PeJP NA NA +PJ096742 GGGGSDMWW C42H53N11O13S 951.3546 NA PeJP NA NA +PJ096743 GSCMMMHR C35H61N13O10S4 951.3548 NA PeJP NA NA +PJ096744 CMMHHFF C43H57N11O8S3 951.3554 NA PeJP NA NA +PJ096745 SSSNNEEW C38H53N11O18 951.357 NA PeJP NA NA +PJ096746 GGGGSSSEEW C38H53N11O18 951.3571 NA PeJP NA NA +PJ096747 SSSSMMHW C39H57N11O13S2 951.3579 NA PeJP NA NA +PJ096748 DEMWWW C47H53N9O11S 951.3586 NA PeJP NA NA +PJ096749 GSDEEEMR C35H57N11O18S 951.3604 NA PeJP NA NA +PJ096750 SNNEYYY C43H53N9O16 951.361 NA PeJP NA NA +PJ096751 SSEEEWW C43H53N9O16 951.3611 NA PeJP NA NA +PJ096752 GPDDMMMR C36H61N11O13S3 951.3613 NA PeJP NA NA +PJ096753 GSSSTCHHH C36H53N15O14S 951.3618 NA PeJP NA NA +PJ096754 SPDMMWW C44H57N9O11S2 951.3619 NA PeJP NA NA +PJ096755 GDDHHWW C44H49N13O12 951.3624 NA PeJP NA NA +PJ096756 PPCCCHHR C37H57N15O9S3 951.3626 NA PeJP NA NA +PJ096757 TQEEEMW C40H57N9O16S 951.3644 NA PeJP NA NA +PJ096758 GGGPEEEMF C40H57N9O16S 951.3645 NA PeJP NA NA +PJ096759 EEYYYW C48H53N7O14 951.3651 NA PeJP NA NA +PJ096760 GGGGGGGGSCMR C33H57N15O14S2 951.3652 NA PeJP NA NA +PJ096761 PQEMMMW C41H61N9O11S3 951.3653 NA PeJP NA NA +PJ096762 GSPCEHHW C41H53N13O12S 951.3658 NA PeJP NA NA +PJ096763 SSDKEEEE C36H57N9O21 951.3669 NA PeJP NA NA +PJ096764 GVQEEEMM C37H61N9O16S2 951.3678 NA PeJP NA NA +PJ096765 GSSSSNNNW C37H53N13O17 951.3683 NA PeJP NA NA +PJ096766 SPEMYYY C45H57N7O14S 951.3684 NA PeJP NA NA +PJ096767 AEEMFYY C45H57N7O14S 951.3685 NA PeJP NA NA +PJ096768 SPPQMMMM C38H65N9O11S4 951.3687 NA PeJP NA NA +PJ096769 CNNEMRW C38H57N13O12S2 951.3691 NA PeJP NA NA +PJ096770 GGCNEMRW C38H57N13O12S2 951.3692 NA PeJP NA NA +PJ096771 GSCQWWW C46H53N11O10S 951.3698 NA PeJP NA NA +PJ096772 SSNNDEMR C34H57N13O17S 951.3716 NA PeJP NA NA +PJ096773 GGSSNDEMR C34H57N13O17S 951.3717 NA PeJP NA NA +PJ096774 GSSSNEWW C42H53N11O15 951.3723 NA PeJP NA NA +PJ096775 SSTCMMHR C35H61N13O12S3 951.3725 NA PeJP NA NA +PJ096776 VMMMMFY C43H65N7O9S4 951.3727 NA PeJP NA NA +PJ096777 GCNNDHHR C35H53N17O13S 951.373 NA PeJP NA NA +PJ096778 GNQMMWW C43H57N11O10S2 951.3732 NA PeJP NA NA +PJ096779 SDEEMRW C39H57N11O15S 951.3757 NA PeJP NA NA +PJ096780 GPDEYWW C47H53N9O13 951.3763 NA PeJP NA NA +PJ096781 PCEMMRW C40H61N11O10S3 951.3765 NA PeJP NA NA +PJ096782 GGAPCCKMW C40H61N11O10S3 951.3766 NA PeJP NA NA +PJ096783 NNNMHHW C40H53N15O11S 951.377 NA PeJP NA NA +PJ096784 SSSEEEER C35H57N11O20 951.3782 NA PeJP NA NA +PJ096785 QEEEMMR C36H61N11O15S2 951.379 NA PeJP NA NA +PJ096786 GAEEEMMR C36H61N11O15S2 951.3791 NA PeJP NA NA +PJ096787 GSDDEHHR C36H53N15O16 951.3795 NA PeJP NA NA +PJ096788 GGGGGGGGGGPEH C36H53N15O16 951.3796 NA PeJP NA NA +PJ096789 ATEEMWW C44H57N9O13S 951.3797 NA PeJP NA NA +PJ096790 SPPCMMMR C37H65N11O10S4 951.3799 NA PeJP NA NA +PJ096791 CCNDRRW C37H57N15O11S2 951.3804 NA PeJP NA NA +PJ096792 APMMMWW C45H61N9O8S3 951.3806 NA PeJP NA NA +PJ096793 SPCHHWW C45H53N13O9S 951.381 NA PeJP NA NA +PJ096794 GTTTEEEW C40H57N9O18 951.3822 NA PeJP NA NA +PJ096795 SSCNDDRR C33H57N15O16S 951.3829 NA PeJP NA NA +PJ096796 VQEEMMW C41H61N9O13S2 951.3831 NA PeJP NA NA +PJ096797 NNNNQYW C41H53N13O14 951.3835 NA PeJP NA NA +PJ096798 GGGGGGGGQYW C41H53N13O14 951.3836 NA PeJP NA NA +PJ096799 PPCFYYY C49H57N7O11S 951.3837 NA PeJP NA NA +PJ096800 SPCCCQRR C34H61N15O11S3 951.3838 NA PeJP NA NA +PJ096801 GCNMRWW C42H57N13O9S2 951.3844 NA PeJP NA NA +PJ096802 GTKEEEEM C37H61N9O18S 951.3856 NA PeJP NA NA +PJ096803 SVEEYYY C45H57N7O16 951.3862 NA PeJP NA NA +PJ096804 GPKEEMMM C38H65N9O13S3 951.3864 NA PeJP NA NA +PJ096805 GSSNDMRW C38H57N13O14S 951.3869 NA PeJP NA NA +PJ096806 PCLMYYY C46H61N7O11S2 951.3871 NA PeJP NA NA +PJ096807 SSSNWWW C46H53N11O12 951.3875 NA PeJP NA NA +PJ096808 GGSSSWWW C46H53N11O12 951.3876 NA PeJP NA NA +PJ096809 GPCCCKRW C39H61N13O9S3 951.3878 NA PeJP NA NA +PJ096810 GPCQHHHH C39H53N17O10S 951.3883 NA PeJP NA NA +PJ096811 GSSSSNEER C34H57N13O19 951.3894 NA PeJP NA NA +PJ096812 DDEMMRR C35H61N13O14S2 951.3903 NA PeJP NA NA +PJ096813 TLMMMYY C43H65N7O11S3 951.3904 NA PeJP NA NA +PJ096814 SSQQMWW C43H57N11O12S 951.3909 NA PeJP NA NA +PJ096815 GGGGGGPPCFF C43H57N11O12S 951.391 NA PeJP NA NA +PJ096816 CCCCKKKH C36H65N13O9S4 951.3912 NA PeJP NA NA +PJ096817 PDYWWW C51H53N9O10 951.3916 NA PeJP NA NA +PJ096818 SSSNDKEW C39H57N11O17 951.3934 NA PeJP NA NA +PJ096819 GGGGGGGLEEY C39H57N11O17 951.3935 NA PeJP NA NA +PJ096820 AEEMMRW C40H61N11O12S2 951.3943 NA PeJP NA NA +PJ096821 SDDHHRW C40H53N15O13 951.3948 NA PeJP NA NA +PJ096822 PPTCYWW C48H57N9O10S 951.3949 NA PeJP NA NA +PJ096823 GPEMFWW C48H57N9O10S 951.395 NA PeJP NA NA +PJ096824 GTTEEEMR C36H61N11O17S 951.3968 NA PeJP NA NA +PJ096825 TTTEEWW C44H57N9O15 951.3974 NA PeJP NA NA +PJ096826 GAPTEEYW C44H57N9O15 951.3975 NA PeJP NA NA +PJ096827 GPTEMMMR C37H65N11O12S3 951.3977 NA PeJP NA NA +PJ096828 GCNNNQFR C37H57N15O13S 951.3981 NA PeJP NA NA +PJ096829 GGGGGCNQFR C37H57N15O13S 951.3982 NA PeJP NA NA +PJ096830 GLEMMWW C45H61N9O10S2 951.3983 NA PeJP NA NA +PJ096831 GTEHHWW C45H53N13O11 951.3988 NA PeJP NA NA +PJ096832 CCMHFRR C38H61N15O8S3 951.399 NA PeJP NA NA +PJ096833 SSSSSNNNR C33H57N15O18 951.4006 NA PeJP NA NA +PJ096834 GGGGGGSSSSSR C33H57N15O18 951.4007 NA PeJP NA NA +PJ096835 TKEEEMW C41H61N9O15S 951.4008 NA PeJP NA NA +PJ096836 SPPYYYY C49H57N7O13 951.4015 NA PeJP NA NA +PJ096837 PKEMMMW C42H65N9O10S3 951.4017 NA PeJP NA NA +PJ096838 SSCQRWW C42H57N13O11S 951.4021 NA PeJP NA NA +PJ096839 GGSTCRWW C42H57N13O11S 951.4022 NA PeJP NA NA +PJ096840 NNFWWW C50H53N11O9 951.4028 NA PeJP NA NA +PJ096841 STTKEEEE C37H61N9O20 951.4033 NA PeJP NA NA +PJ096842 GVKEEEMM C38H65N9O15S2 951.4042 NA PeJP NA NA +PJ096843 GSNQQQQY C38H57N13O16 951.4046 NA PeJP NA NA +PJ096844 SSSSNERW C38H57N13O16 951.4047 NA PeJP NA NA +PJ096845 ALEMYYY C46H61N7O13S 951.4048 NA PeJP NA NA +PJ096846 SPPKMMMM C39H69N9O10S4 951.4051 NA PeJP NA NA +PJ096847 SNQMMRW C39H61N13O11S2 951.4055 NA PeJP NA NA +PJ096848 GGGGGCCKKW C39H61N13O11S2 951.4056 NA PeJP NA NA +PJ096849 VMMMFFF C47H65N7O8S3 951.4057 NA PeJP NA NA +PJ096850 QQEHHHH C39H53N17O12 951.406 NA PeJP NA NA +PJ096851 GSCKWWW C47H57N11O9S 951.4062 NA PeJP NA NA +PJ096852 SSSQQEMR C35H61N13O16S 951.408 NA PeJP NA NA +PJ096853 GGGGGGGSSTKM C35H61N13O16S 951.4081 NA PeJP NA NA +PJ096854 GSSSDKWW C43H57N11O14 951.4087 NA PeJP NA NA +PJ096855 QQQMMMR C36H65N13O11S3 951.4089 NA PeJP NA NA +PJ096856 CDEHHRR C36H57N17O12S 951.4094 NA PeJP NA NA +PJ096857 ACQKMWW C44H61N11O9S2 951.4095 NA PeJP NA NA +PJ096858 GNKMMWW C44H61N11O9S2 951.4096 NA PeJP NA NA +PJ096859 NNHHHFF C44H53N15O10 951.41 NA PeJP NA NA +PJ096860 PMFWWW C52H57N9O7S 951.4102 NA PeJP NA NA +PJ096861 GTTTQQMW C40H61N11O14S 951.412 NA PeJP NA NA +PJ096862 TTEEMRW C40H61N11O14S 951.4121 NA PeJP NA NA +PJ096863 APTEYWW C48H57N9O12 951.4127 NA PeJP NA NA +PJ096864 GSCCDRRR C33H61N17O12S2 951.4128 NA PeJP NA NA +PJ096865 PTMMMRW C41H65N11O9S3 951.4129 NA PeJP NA NA +PJ096866 GEMHHRW C41H57N15O10S 951.4134 NA PeJP NA NA +PJ096867 LMMWWW C49H61N9O7S2 951.4136 NA PeJP NA NA +PJ096868 THHWWW C49H53N13O8 951.414 NA PeJP NA NA +PJ096869 ASSSSQKEE C36H61N11O19 951.4145 NA PeJP NA NA +PJ096870 STTTEEER C36H61N11O19 951.4146 NA PeJP NA NA +PJ096871 KEEEMMR C37H65N11O14S2 951.4154 NA PeJP NA NA +PJ096872 NNDDRRY C37H57N15O15 951.4159 NA PeJP NA NA +PJ096873 STLEMWW C45H61N9O12S 951.4161 NA PeJP NA NA +PJ096874 GPVMMMMR C38H69N11O9S4 951.4163 NA PeJP NA NA +PJ096875 SCNMRRW C38H61N15O10S2 951.4168 NA PeJP NA NA +PJ096876 NDHHHHR C38H53N19O11 951.4172 NA PeJP NA NA +PJ096877 GGDHHHHR C38H53N19O11 951.4173 NA PeJP NA NA +PJ096878 GVMHHWW C46H57N13O8S 951.4174 NA PeJP NA NA +PJ096879 SSTTLEEW C41H61N9O17 951.4186 NA PeJP NA NA +PJ096880 SSSNDMRR C34H61N15O15S 951.4193 NA PeJP NA NA +PJ096881 VKEEMMW C42H65N9O12S2 951.4194 NA PeJP NA NA +PJ096882 AATLEMMW C42H65N9O12S2 951.4195 NA PeJP NA NA +PJ096883 GSSSSRWW C42H57N13O13 951.4199 NA PeJP NA NA +PJ096884 GGGGGGGGPPPW C42H57N13O13 951.42 NA PeJP NA NA +PJ096885 PCLFFYY C50H61N7O10S 951.4201 NA PeJP NA NA +PJ096886 GGGGMMMRR C35H65N15O10S3 951.4202 NA PeJP NA NA +PJ096887 ACCKRWW C43H61N13O8S2 951.4208 NA PeJP NA NA +PJ096888 AQHHHHW C43H53N17O9 951.4213 NA PeJP NA NA +PJ096889 TTTLQEEM C38H65N9O17S 951.4219 NA PeJP NA NA +PJ096890 SSLKEEEM C38H65N9O17S 951.422 NA PeJP NA NA +PJ096891 TTLEYYY C46H61N7O15 951.4226 NA PeJP NA NA +PJ096892 SPVKEMMM C39H69N9O12S3 951.4228 NA PeJP NA NA +PJ096893 GSSTQMRW C39H61N13O13S 951.4233 NA PeJP NA NA +PJ096894 VVMMFYY C47H65N7O10S2 951.4235 NA PeJP NA NA +PJ096895 AAQQYWW C47H57N11O11 951.4239 NA PeJP NA NA +PJ096896 GGGGGLYWW C47H57N11O11 951.424 NA PeJP NA NA +PJ096897 CKMMHFR C40H65N13O8S3 951.4242 NA PeJP NA NA +PJ096898 GPCKHHHH C40H57N17O9S 951.4246 NA PeJP NA NA +PJ096899 GSSSSDKER C35H61N13O18 951.4258 NA PeJP NA NA +PJ096900 TEEMMRR C36H65N13O13S2 951.4267 NA PeJP NA NA +PJ096901 SSSNQHHR C36H57N17O14 951.4271 NA PeJP NA NA +PJ096902 GGGGGGSPNHR C36H57N17O14 951.4272 NA PeJP NA NA +PJ096903 SSQKMWW C44H61N11O11S 951.4273 NA PeJP NA NA +PJ096904 PMMMMRR C37H69N13O8S4 951.4275 NA PeJP NA NA +PJ096905 VEFWWW C52H57N9O9 951.428 NA PeJP NA NA +PJ096906 MHHRWW C45H57N15O7S 951.4287 NA PeJP NA NA +PJ096907 SSSTQKEW C40H61N11O16 951.4298 NA PeJP NA NA +PJ096908 SLEMMRW C41H65N11O11S2 951.4307 NA PeJP NA NA +PJ096909 STEHHRW C41H57N15O12 951.4311 NA PeJP NA NA +PJ096910 PNNEHRW C41H57N15O12 951.4312 NA PeJP NA NA +PJ096911 GPLMYWW C49H61N9O9S 951.4313 NA PeJP NA NA +PJ096912 CCQMRRR C34H65N17O9S3 951.4314 NA PeJP NA NA +MJ098501 Liposidomycin; Liposidomycin A-I, 13,14-Didehydro, desulfo C44H65N5O18 951.43246 NA MeJP NA NA +PJ096913 SSTLEEMR C37H65N11O16S 951.4332 NA PeJP NA NA +PJ096914 PTKEEYW C45H61N9O14 951.4338 NA PeJP NA NA +PJ096915 GGGPLEEFF C45H61N9O14 951.4339 NA PeJP NA NA +PJ096916 AALEMMMR C38H69N11O11S3 951.4341 NA PeJP NA NA +PJ096917 GSSTCRRW C38H61N15O12S 951.4345 NA PeJP NA NA +PJ096918 GGGGGGGCKFR C38H61N15O12S 951.4346 NA PeJP NA NA +PJ096919 SVLMMWW C46H65N9O9S2 951.4347 NA PeJP NA NA +PJ096920 NQRYWW C46H57N13O10 951.4352 NA PeJP NA NA +PJ096921 GSSSSSERR C34H61N15O17 951.437 NA PeJP NA NA +PJ096922 SSSLLEMW C42H65N9O14S 951.4372 NA PeJP NA NA +PJ096923 APLYYYY C50H61N7O12 951.4378 NA PeJP NA NA +MJ098502 Antibiotic Q 6402A C50H61N7O12 951.43782 NA MeJP NA NA +PJ096924 ALEFFYY C50H61N7O12 951.4379 NA PeJP NA NA +PJ096925 LLQMMMW C43H69N9O9S3 951.4381 NA PeJP NA NA +PJ096926 SSCKRWW C43H61N13O10S 951.4385 NA PeJP NA NA +PJ096927 GGAQMFRW C43H61N13O10S 951.4386 NA PeJP NA NA +PJ096928 AHHFFFF C51H57N11O8 951.4392 NA PeJP NA NA +PJ096929 SSSSTLLEE C38H65N9O19 951.4397 NA PeJP NA NA +PJ096930 ATLKEEMM C39H69N9O14S2 951.4406 NA PeJP NA NA +PJ096931 SSSSDKRW C39H61N13O15 951.441 NA PeJP NA NA +PJ096932 LDDDRRY C39H61N13O15 951.4411 NA PeJP NA NA +PJ096933 SLLMYYY C47H65N7O12S 951.4412 NA PeJP NA NA +PJ096934 APLKMMMM C40H73N9O9S4 951.4415 NA PeJP NA NA +PJ096935 SNKMMRW C40H65N13O10S2 951.4419 NA PeJP NA NA +PJ096936 NNQHHFR C40H57N17O11 951.4424 NA PeJP NA NA +PJ096937 PPVMHWW C48H61N11O8S 951.4426 NA PeJP NA NA +PJ096938 SSSQKEMR C36H65N13O15S 951.4444 NA PeJP NA NA +PJ096939 GSSTTKWW C44H61N11O13 951.4451 NA PeJP NA NA +PJ096940 VEMMMRR C37H69N13O10S3 951.4453 NA PeJP NA NA +PJ096941 SEMHHRR C37H61N17O11S 951.4458 NA PeJP NA NA +PJ096942 ACKKMWW C45H65N11O8S2 951.4459 NA PeJP NA NA +PJ096943 GPNHRWW C45H57N15O9 951.4464 NA PeJP NA NA +PJ096944 GSSKKEMW C41H65N11O13S 951.4484 NA PeJP NA NA +PJ096945 GGGPDKKMY C41H65N11O13S 951.4485 NA PeJP NA NA +PJ096946 GVLEYWW C49H61N9O11 951.4491 NA PeJP NA NA +PJ096947 VVMMMRW C42H69N11O8S3 951.4493 NA PeJP NA NA +PJ096948 GCQFRRW C42H61N15O9S 951.4498 NA PeJP NA NA +PJ096949 GSSSTKKEE C37H65N11O18 951.4509 NA PeJP NA NA +PJ096950 ATTLEMMR C38H69N11O13S2 951.4518 NA PeJP NA NA +PJ096951 SSSSSRRW C38H61N15O14 951.4523 NA PeJP NA NA +PJ096952 PVKEMYW C46H65N9O11S 951.4525 NA PeJP NA NA +8239 Antioxidative peptide LSKAQSDFG 951.4529 NA ;SYN:(S)-1H-Imidazole-4-alanine; (S)-2-Amino-3-(4-imidazolyl)propionsaeure; (S)-4-(2-Amino-2-carboxyethyl)imidazole; (S)-Histidine; (S)-a-Amino-1H-imidazole-4-propanoate; (S)-a-Amino-1H-imidazole-4-propanoic acid; (S)-alpha-Amino-1H-imidazole-4-propanoate; (S)-alpha-Amino-1H-imidazole-4-propanoic acid; (S)-alpha-Amino-1H-imidazole-4-propionate; (S)-alpha-Amino-1H-imidazole-4-propionic acid; (S)1H-Imidazole-4-alanine; 3-(1H-imidazol-4-yl)-L-Alanine; Glyoxaline-5-alanine; His; Histidine; L-(-)-Histidine; amino-1H-imidazole-4-propanoate; amino-1H-imidazole-4-propanoic acid; amino-4-imidazoleproprionate; amino-4-imidazoleproprionic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +PJ096953 PTFFFFF C54H61N7O9 951.4531 NA PeJP NA NA +PJ096954 TCCKRRW C39H65N15O9S2 951.4532 NA PeJP NA NA +PJ096955 TQHHHHR C39H57N19O10 951.4536 NA PeJP NA NA +PJ096956 SSSPPTTLY C42H65N9O16 951.4549 NA PeJP NA NA +PJ096957 TTTTTLEW C42H65N9O16 951.455 NA PeJP NA NA +PJ096958 SSSTQMRR C35H65N15O14S 951.4556 NA PeJP NA NA +PJ096959 GGSSTTMRR C35H65N15O14S 951.4557 NA PeJP NA NA +PJ096960 GTTLLMMW C43H69N9O11S2 951.4558 NA PeJP NA NA +PJ096961 GNKERYW C43H61N13O12 951.4563 NA PeJP NA NA +PJ096962 VVMFFFY C51H65N7O9S 951.4565 NA PeJP NA NA +PJ096963 AKHHHHW C44H57N17O8 951.4577 NA PeJP NA NA +PJ096964 TTTLKEEM C39H69N9O16S 951.4583 NA PeJP NA NA +PJ096965 GLLKEMMM C40H73N9O11S3 951.4592 NA PeJP NA NA +PJ096966 GSSTKMRW C40H65N13O12S 951.4597 NA PeJP NA NA +PJ096967 LERYWW C48H61N11O10 951.4603 NA PeJP NA NA +PJ096968 PCHHFRR C41H61N17O8S 951.461 NA PeJP NA NA +PJ096969 GSSSTTKER C36H65N13O17 951.4622 NA PeJP NA NA +PJ096970 GTTQKMMR C37H69N13O12S2 951.463 NA PeJP NA NA +PJ096971 GSDKKMMR C37H69N13O12S2 951.4631 NA PeJP NA NA +PJ096972 GSPNEHRR C37H61N17O13 951.4635 NA PeJP NA NA +PJ096973 GGGGGGGGALHR C37H61N17O13 951.4636 NA PeJP NA NA +PJ096974 SSKKMWW C45H65N11O10S 951.4637 NA PeJP NA NA +PJ096975 VLYWWW C53H61N9O8 951.4643 NA PeJP NA NA +PJ096976 GPLFFWW C53H61N9O8 951.4644 NA PeJP NA NA +PJ096977 SSSTKKEW C41H65N11O15 951.4662 NA PeJP NA NA +PJ096978 SSSTCRRR C34H65N17O13S 951.4669 NA PeJP NA NA +PJ096979 TQKKMMW C42H69N11O10S2 951.4671 NA PeJP NA NA +PJ096980 GSQRRYW C42H61N15O11 951.4675 NA PeJP NA NA +PJ096981 GGPDKHRW C42H61N15O11 951.4676 NA PeJP NA NA +PJ096982 GLLMFWW C50H65N9O8S 951.4677 NA PeJP NA NA +PJ096983 CCKMRRR C35H69N17O8S3 951.4678 NA PeJP NA NA +PJ096984 TTTTLEMR C38H69N11O15S 951.4696 NA PeJP NA NA +PJ096985 VVKEEYW C46H65N9O13 951.4702 NA PeJP NA NA +PJ096986 GTLLMMMR C39H73N11O10S3 951.4704 NA PeJP NA NA +PJ096987 GGGLKKMMM C39H73N11O10S3 951.4705 NA PeJP NA NA +PJ096988 AQQMRRY C39H65N15O11S 951.4709 NA PeJP NA NA +PJ096989 PLKMMFW C47H69N9O8S2 951.4711 NA PeJP NA NA +PJ096990 NKRYWW C47H61N13O9 951.4716 NA PeJP NA NA +PJ096991 GSSSTTTRR C35H65N15O16 951.4734 NA PeJP NA NA +PJ096992 STTTLLMW C43H69N9O13S 951.4736 NA PeJP NA NA +PJ096993 ALLFYYY C51H65N7O11 951.4742 NA PeJP NA NA +PJ096994 GSSKMMRR C36H69N15O11S2 951.4743 NA PeJP NA NA +PJ096995 LLKMMMW C44H73N9O8S3 951.4745 NA PeJP NA NA +PJ096996 NNQQHRR C36H61N19O12 951.4747 NA PeJP NA NA +PJ096997 GGNQQHRR C36H61N19O12 951.4748 NA PeJP NA NA +PJ096998 GQKMFRW C44H65N13O9S 951.4749 NA PeJP NA NA +PJ096999 SSTTTTLLE C39H69N9O18 951.4761 NA PeJP NA NA +PJ097000 STLLKEMM C40H73N9O13S2 951.477 NA PeJP NA NA +PJ097001 SSSTTKRW C40H65N13O14 951.4774 NA PeJP NA NA +PJ097002 GGPPPDKER C40H65N13O14 951.4775 NA PeJP NA NA +PJ097003 TCKKMRW C41H69N13O9S2 951.4783 NA PeJP NA NA +PJ097004 SPNHRRW C41H61N17O10 951.4788 NA PeJP NA NA +PJ097005 SSSKKEMR C37H69N13O14S 951.4808 NA PeJP NA NA +PJ097006 SVLERYW C45H65N11O12 951.4814 NA PeJP NA NA +PJ097007 VVTERYW C45H65N11O12 951.4815 NA PeJP NA NA +PJ097008 QKKMMMR C38H73N13O9S3 951.4817 NA PeJP NA NA +PJ097009 GNMRRRY C38H65N17O10S 951.4821 NA PeJP NA NA +PJ097010 GGGMRRRY C38H65N17O10S 951.4822 NA PeJP NA NA +PJ097011 GLHHFRW C46H61N15O8 951.4828 NA PeJP NA NA +PJ097012 GTTTKKMW C42H69N11O12S 951.4848 NA PeJP NA NA +PJ097013 GGGGGPPPILM C42H69N11O12S 951.4849 NA PeJP NA NA +PJ097014 ATLLYWW C50H65N9O10 951.4855 NA PeJP NA NA +PJ097015 GCKFRRW C43H65N15O8S 951.4862 NA PeJP NA NA +PJ097016 SSSSSLKKE C38H69N11O17 951.4873 NA PeJP NA NA +PJ097017 STTLLMMR C39H73N11O12S2 951.4882 NA PeJP NA NA +PJ097018 SNKERRY C39H65N15O13 951.4887 NA PeJP NA NA +PJ097019 VLLQMYW C47H69N9O10S 951.4888 NA PeJP NA NA +PJ097020 GGLLLMYW C47H69N9O10S 951.4889 NA PeJP NA NA +PJ097021 LKMMHHR C40H69N15O8S2 951.4895 NA PeJP NA NA +PJ097022 TKHHHHR C40H61N19O9 951.49 NA PeJP NA NA +PJ097023 ASLLKEEY C43H69N9O15 951.4913 NA PeJP NA NA +PJ097024 GTLLKEEY C43H69N9O15 951.4914 NA PeJP NA NA +PJ097025 SSSTKMRR C36H69N15O13S 951.492 NA PeJP NA NA +PJ097026 GPLLKMMY C44H73N9O10S2 951.4922 NA PeJP NA NA +PJ097027 GDKKRYW C44H65N13O11 951.4927 NA PeJP NA NA +PJ097028 CKKMMRR C37H73N15O8S3 951.4929 NA PeJP NA NA +PJ097029 PCQHRRR C37H65N19O9S 951.4934 NA PeJP NA NA +PJ097030 SSSTTLLLM C40H73N9O15S 951.4947 NA PeJP NA NA +PJ097031 SVLLKMMM C41H77N9O10S3 951.4956 NA PeJP NA NA +PJ097032 VVEMRRY C41H69N13O11S 951.4961 NA PeJP NA NA +PJ097033 AAKKYWW C49H65N11O9 951.4967 NA PeJP NA NA +PJ097034 ASSTTTTKR C37H69N13O16 951.4985 NA PeJP NA NA +PJ097035 SSSSSTLKR C37H69N13O16 951.4986 NA PeJP NA NA +PJ097036 GTTKKMMR C38H73N13O11S2 951.4994 NA PeJP NA NA +PJ097037 SSQRRRY C38H65N17O12 951.4999 NA PeJP NA NA +PJ097038 ALLMRYW C46H69N11O9S 951.5001 NA PeJP NA NA +PJ097039 STTTTKKW C42H69N11O14 951.5026 NA PeJP NA NA +PJ097040 TKKKMMW C43H73N11O9S2 951.5035 NA PeJP NA NA +PJ097041 GSKRRYW C43H65N15O10 951.5039 NA PeJP NA NA +PJ097042 ASSSTLKKM C39H73N11O14S 951.5059 NA PeJP NA NA +PJ097043 STTKKKEM C39H73N11O14S 951.506 NA PeJP NA NA +PJ097044 TLLKEYW C47H69N9O12 951.5066 NA PeJP NA NA +PJ097045 GVKKKMMM C40H77N11O9S3 951.5068 NA PeJP NA NA +PJ097046 AQKMRRY C40H69N15O10S 951.5073 NA PeJP NA NA +PJ097047 APKKHWW C48H65N13O8 951.5079 NA PeJP NA NA +PJ097048 PPLHFRW C48H65N13O8 951.508 NA PeJP NA NA +PJ097049 GVLLKEMY C44H73N9O12S 951.51 NA PeJP NA NA +PJ097050 AQEHRRR C37H65N19O11 951.5111 NA PeJP NA NA +PJ097051 GAAEHRRR C37H65N19O11 951.5112 NA PeJP NA NA +PJ097052 GKKMFRW C45H69N13O8S 951.5113 NA PeJP NA NA +PJ097053 TTTTTTTLL C40H73N9O17 951.5125 NA PeJP NA NA +PJ097054 TQKKERY C41H69N13O13 951.5138 NA PeJP NA NA +PJ097055 GGGGGGGPPVLK C41H69N13O13 951.5139 NA PeJP NA NA +PJ097056 VLMMFRR C42H73N13O8S2 951.5147 NA PeJP NA NA +PJ097057 GLQHRRW C42H65N17O9 951.5152 NA PeJP NA NA +2896 neuropeptide from eyestalk of Macrobrachium rosenb KNEFIRF~ 951.5159 antibacterial Inhouse_peptide NA peptide +PJ097058 STTTKKMR C38H73N13O13S 951.5172 NA PeJP NA NA +PJ097059 TTLLRYW C46H69N11O11 951.5178 NA PeJP NA NA +PJ097060 AALLLEHW C46H69N11O11 951.5179 NA PeJP NA NA +PJ097061 KKKMMMR C39H77N13O8S3 951.5181 NA PeJP NA NA +PJ097062 ACKRRRY C39H69N17O9S 951.5185 NA PeJP NA NA +MJ098503 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-xylopyranosyl-(1?2)-?-D-fucopyranosyl-(1?6)-2-acetamido-2-deoxy-?-D-glucopyranoside] C49H77NO17 951.51915 NA MeJP NA NA +PJ097063 LLKEMRY C43H73N11O11S 951.5212 NA PeJP NA NA +PJ097064 PVLKFYW C51H69N9O9 951.5219 NA PeJP NA NA +PJ097065 GDHRRRR C36H65N21O10 951.5224 NA PeJP NA NA +PJ097066 SSSTTTLKK C39H73N11O16 951.5237 NA PeJP NA NA +PJ097067 SSLKKKMM C40H77N11O11S2 951.5246 NA PeJP NA NA +PJ097068 SDKKRRY C40H69N15O12 951.525 NA PeJP NA NA +PJ097069 GATTKRRY C40H69N15O12 951.5251 NA PeJP NA NA +PJ097070 VLLKMYW C48H73N9O9S 951.5252 NA PeJP NA NA +PJ097071 AAHRRRW C41H65N19O8 951.5264 NA PeJP NA NA +PJ097072 SSLLLKEY C44H73N9O14 951.5277 NA PeJP NA NA +PJ097073 GPPVVLLEE C44H73N9O14 951.5278 NA PeJP NA NA +PJ097074 GLLLKMMF C45H77N9O9S2 951.5286 NA PeJP NA NA +MJ098504 Peptide AF 1 C45H69N13O10 951.529035 NA MeJP NA NA +PJ097075 ATKKRYW C45H69N13O10 951.5291 NA PeJP NA NA +PJ097076 PCKHRRR C38H69N19O8S 951.5298 NA PeJP NA NA +PJ097077 TLLMRRY C42H73N13O10S 951.5324 NA PeJP NA NA +PJ097078 GGLKKMRY C42H73N13O10S 951.5325 NA PeJP NA NA +PJ097079 VVLLHWW C50H69N11O8 951.5331 NA PeJP NA NA +PJ097080 SCCKKKKK C39H77N13O10S2 951.5358 NA PeJP NA NA +PJ097081 SSKRRRY C39H69N17O11 951.5363 NA PeJP NA NA +PJ097082 CLKKKFW C47H73N11O8S 951.5365 NA PeJP NA NA +PJ097083 SSTLLLRY C43H73N11O13 951.539 NA PeJP NA NA +PJ097084 PPLQRRW C44H69N15O9 951.5403 NA PeJP NA NA +PJ097085 PPVVLLEW C48H73N9O11 951.543 NA PeJP NA NA +PJ097086 AKKMRRY C41H73N15O9S 951.5437 NA PeJP NA NA +PJ097087 ATLLLKMY C45H77N9O11S 951.5464 NA PeJP NA NA +PJ097088 PPDRRRR C38H69N19O10 951.5475 NA PeJP NA NA +PJ097089 TKKKERY C42H73N13O12 951.5502 NA PeJP NA NA +PJ097090 GLKHRRW C43H69N17O8 951.5515 NA PeJP NA NA +PJ097091 SLKKKYW C47H73N11O10 951.5542 NA PeJP NA NA +PJ097092 PKKMHRR C40H73N17O8S 951.5549 NA PeJP NA NA +PJ097093 AALKKKMY C44H77N11O10S 951.5576 NA PeJP NA NA +PJ097094 VLLKFFW C52H73N9O8 951.5582 NA PeJP NA NA +PJ097095 ATHRRRR C37H69N21O9 951.5588 NA PeJP NA NA +PJ097096 TTKKRRY C41H73N15O11 951.5614 NA PeJP NA NA +PJ097097 GPPLKERR C41H73N15O11 951.5615 NA PeJP NA NA +PJ097098 TTTLLLKY C45H77N9O13 951.5641 NA PeJP NA NA +PJ097099 GPPVLKRW C46H73N13O9 951.5655 NA PeJP NA NA +PJ097100 VKKKMRY C43H77N13O9S 951.5688 NA PeJP NA NA +PJ097101 GPPTLRRR C40H73N17O10 951.5727 NA PeJP NA NA +PJ097102 ATTLKKKY C44H77N11O12 951.5753 NA PeJP NA NA +PJ097103 SSVLKKKY C44H77N11O12 951.5754 NA PeJP NA NA +PJ097104 PPLKRRW C45H73N15O8 951.5767 NA PeJP NA NA +PJ097105 PPTLLLLW C49H77N9O10 951.5794 NA PeJP NA NA +PJ097106 GPPVLLLLM C46H81N9O10S 951.5828 NA PeJP NA NA +PJ097107 SLKHRRR C39H73N19O9 951.5839 NA PeJP NA NA +PJ097108 STLLLLHR C43H77N13O11 951.5866 NA PeJP NA NA +PJ097109 APPLLKKW C48H77N11O9 951.5906 NA PeJP NA NA +PJ097110 PPLLLLMR C45H81N11O9S 951.594 NA PeJP NA NA +PJ097111 SPPVLKRR C42H77N15O10 951.5978 NA PeJP NA NA +PJ097112 AAPLLLLLE C46H81N9O12 951.6005 NA PeJP NA NA +PJ097113 LLKKKHW C47H77N13O8 951.6018 NA PeJP NA NA +PJ097114 AAPLLRRR C41H77N17O9 951.6091 NA PeJP NA NA +PJ097115 PLLLLQQK C45H81N11O11 951.6117 NA PeJP NA NA +PJ097116 PVLLLLER C45H81N11O11 951.6118 NA PeJP NA NA +PJ097117 PVVLLLLW C50H81N9O9 951.6158 NA PeJP NA NA +PJ097118 PVLRRRR C40H77N19O8 951.6203 NA PeJP NA NA +PJ097119 PPTLLKKR C44H81N13O10 951.623 NA PeJP NA NA +PJ097120 GPLLLKRR C43H81N15O9 951.6342 NA PeJP NA NA +PJ097121 GPTLLLLLL C47H85N9O11 951.6369 NA PeJP NA NA +PJ097122 KKKKKHR C42H81N17O8 951.6454 NA PeJP NA NA +PJ097123 PLLLLQKK C46H85N11O10 951.6481 NA PeJP NA NA +PJ097124 PVVLLKKR C45H85N13O9 951.6594 NA PeJP NA NA +PJ097125 AALLLLLLL C48H89N9O10 951.6733 NA PeJP NA NA +PJ097126 VLLLLLLR C47H89N11O9 951.6845 NA PeJP NA NA +MJ098505 Bastadin 16; 6-Hydroxy, 11-debromo C34H28Br4N4O9 951.858979 NA MeJP NA NA +MJ098506 Bastadin 4; 30-Debromo, 5,6-dihydro, 6S-hydroxy C34H28Br4N4O9 951.858979 NA MeJP NA NA +MJ098507 Alazanine(1+); 2,4,5-Trichlorophenolate, compd. with 2,4,5-trichlorophenol (1:2) C39H29Cl9N2O3S2 951.881633 NA MeJP NA NA +MJ098508 Acalyphidin M2 C41H28O27 952.081795 NA MeJP NA NA +MJ098509 Brediatin A C41H28O27 952.081795 NA MeJP NA NA +MJ098510 Carpinusin C41H28O27 952.081795 NA MeJP NA NA +MJ098511 Chinquapinic acid C41H28O27 952.081795 NA MeJP NA NA +MJ098512 Euphorscopin C41H28O27 952.081795 NA MeJP NA NA +MJ098513 Flosin A C41H28O27 952.081795 NA MeJP NA NA +MJ098514 Gemin E C41H28O27 952.081795 NA MeJP NA NA +MJ098515 Geraniin C41H28O27 952.081795 NA MeJP NA NA +MJ098516 Granatin B C41H28O27 952.081795 NA MeJP NA NA +MJ098517 Helioscopinin A C41H28O27 952.081795 NA MeJP NA NA +MJ098518 Hippophaenin A C41H28O27 952.081795 NA MeJP NA NA +MJ098519 Phyllanthusiin A C41H28O27 952.081795 NA MeJP NA NA +MJ098520 Platycariin C41H28O27 952.081795 NA MeJP NA NA +MJ098521 Platycaryanin D; 5''-O-(6-Carboxy-2,3,4-trihydroxyphenyl) C41H28O27 952.081795 NA MeJP NA NA +MJ098522 Rugosin C; 1-Degalloyl C41H28O27 952.081795 NA MeJP NA NA +C10230 Geraniin C41H28O27 952.0818 NA KEGG NA NA +PJ097127 SCCCCCCND C29H48N10O14S6 952.1676 NA PeJP NA NA +PJ097128 GCCCCCCQM C30H52N10O11S7 952.1862 NA PeJP NA NA +PJ097129 GGACCCCCCM C30H52N10O11S7 952.1863 NA PeJP NA NA +PJ097130 GCCCCCCCR C29H52N12O10S7 952.1975 NA PeJP NA NA +PJ097131 SSCCCCCNM C30H52N10O13S6 952.204 NA PeJP NA NA +PJ097132 CCCCDDEY C34H48N8O16S4 952.2072 NA PeJP NA NA +PJ097133 CCCCEMMM C32H56N8O11S7 952.2114 NA PeJP NA NA +PJ097134 GSSSTCCCCC C30H52N10O15S5 952.2218 NA PeJP NA NA +PJ097135 GCCCCCCKM C31H56N10O10S7 952.2226 NA PeJP NA NA +PJ097136 CCCCDEMF C35H52N8O13S5 952.2258 NA PeJP NA NA +PJ097137 CCDDDDMH C33H48N10O17S3 952.2362 NA PeJP NA NA +PJ097138 CCCCNNMY C34H52N10O12S5 952.237 NA PeJP NA NA +PJ097139 SSSSSSCCCC C30H52N10O17S4 952.2395 NA PeJP NA NA +PJ097140 STCCCCCCK C31H56N10O12S6 952.2404 NA PeJP NA NA +PJ097141 DDDDDDDE C33H44N8O25 952.2418 NA PeJP NA NA +PJ097142 SCCCDEMY C35H52N8O15S4 952.2435 NA PeJP NA NA +PJ097143 PCCCCMMY C36H56N8O10S6 952.2444 NA PeJP NA NA +PJ097144 GSCCCNDDH C32H48N12O16S3 952.2474 NA PeJP NA NA +PJ097145 TCCCMMMM C33H60N8O10S7 952.2478 NA PeJP NA NA +PJ097146 GPCCCCCQH C33H52N12O11S5 952.2482 NA PeJP NA NA +PJ097147 GGAPCCCCCH C33H52N12O11S5 952.2483 NA PeJP NA NA +PJ097148 GPCCNDDDD C33H48N10O19S2 952.2539 NA PeJP NA NA +PJ097149 GSSCCCCQY C34H52N10O14S4 952.2548 NA PeJP NA NA +PJ097150 GCCDDDYY C38H48N8O17S2 952.2579 NA PeJP NA NA +PJ097151 PCCCCDFY C39H52N8O12S4 952.2588 NA PeJP NA NA +PJ097152 GCCDMMMY C36H56N8O12S5 952.2622 NA PeJP NA NA +PJ097153 CCCNNEMH C33H52N12O13S4 952.266 NA PeJP NA NA +PJ097154 CCCCNNFF C38H52N10O11S4 952.27 NA PeJP NA NA +PJ097155 NNDDDDDM C33H48N10O21S 952.2717 NA PeJP NA NA +PJ097156 SSSSCCCNY C34H52N10O16S3 952.2725 NA PeJP NA NA +PJ097157 CCCCCQKY C35H56N10O11S5 952.2734 NA PeJP NA NA +PJ097158 SPCCCDYY C39H52N8O14S3 952.2765 NA PeJP NA NA +PJ097159 GCCDDMFY C39H52N8O14S3 952.2766 NA PeJP NA NA +PJ097160 CCCCNDHR C32H52N14O12S4 952.2772 NA PeJP NA NA +PJ097161 GGCCCCDHR C32H52N14O12S4 952.2773 NA PeJP NA NA +PJ097162 PCCCCMFF C40H56N8O9S5 952.2774 NA PeJP NA NA +PJ097163 SDDDDEEE C34H48N8O24 952.2782 NA PeJP NA NA +C11542 Cobalt-precorrin 6 C44H53CoN4O16 952.2789 NA KEGG NA NA +PJ097164 PDDDDDMM C35H52N8O19S2 952.2791 NA PeJP NA NA +PJ097165 SSCCEMMY C36H56N8O14S4 952.2799 NA PeJP NA NA +PJ097166 GCCMMMMF C37H60N8O9S6 952.2808 NA PeJP NA NA +PJ097167 GCCCNMHW C37H52N12O10S4 952.2813 NA PeJP NA NA +PJ097168 GSCNNNDDD C32H48N12O20S 952.2829 NA PeJP NA NA +PJ097169 GSSCCNDMH C33H52N12O15S3 952.2838 NA PeJP NA NA +PJ097170 GPCCCCCKH C34H56N12O10S5 952.2846 NA PeJP NA NA +PJ097171 GCNDDDEW C37H48N10O18S 952.2869 NA PeJP NA NA +PJ097172 GCCCNQYY C38H52N10O13S3 952.2878 NA PeJP NA NA +PJ097173 GSSNDDDDE C33H48N10O23 952.2894 NA PeJP NA NA +PJ097174 GSPCNDDDM C34H52N10O18S2 952.2903 NA PeJP NA NA +PJ097175 GSSCCCCKY C35H56N10O13S4 952.2912 NA PeJP NA NA +PJ097176 SCCDDHHH C35H48N14O14S2 952.2916 NA PeJP NA NA +PJ097177 CCCEFYW C43H52N8O11S3 952.2918 NA PeJP NA NA +PJ097178 PDDDDDDF C38H48N8O21 952.2935 NA PeJP NA NA +PJ097179 GSCDDMYY C39H52N8O16S2 952.2943 NA PeJP NA NA +PJ097180 APCCCMYY C40H56N8O11S4 952.2952 NA PeJP NA NA +PJ097181 GDDEEEEM C35H52N8O21S 952.2968 NA PeJP NA NA +PJ097182 PCDDDDHH C36H48N12O17S 952.2982 NA PeJP NA NA +PJ097183 GSCMMMMY C37H60N8O11S5 952.2985 NA PeJP NA NA +PJ097184 SSCCCQHW C37H52N12O12S3 952.299 NA PeJP NA NA +PJ097185 SSSSCCNEH C33H52N12O17S2 952.3015 NA PeJP NA NA +PJ097186 GGGGGGGGCDEM C33H52N12O17S2 952.3016 NA PeJP NA NA +PJ097187 CNDDDWW C41H48N10O15S 952.3022 NA PeJP NA NA +PJ097188 GPPCCCCDR C34H56N12O12S4 952.3024 NA PeJP NA NA +PJ097189 SSNDDDDW C37H48N10O20 952.3047 NA PeJP NA NA +PJ097190 SPCCNDEW C38H52N10O15S2 952.3055 NA PeJP NA NA +PJ097191 GGSPCCDEW C38H52N10O15S2 952.3056 NA PeJP NA NA +PJ097192 CDMMMHW C39H56N10O10S4 952.3064 NA PeJP NA NA +PJ097193 SNNDDEEM C34H52N10O20S 952.308 NA PeJP NA NA +PJ097194 GGSNDDEEM C34H52N10O20S 952.3081 NA PeJP NA NA +PJ097195 SSDDMMMH C35H56N10O15S3 952.3089 NA PeJP NA NA +PJ097196 SCCEYYW C43H52N8O13S2 952.3096 NA PeJP NA NA +PJ097197 CCCCCKKY C36H60N10O10S5 952.3098 NA PeJP NA NA +PJ097198 GCCEMHHH C36H52N14O11S3 952.3103 NA PeJP NA NA +PJ097199 DDEEEMW C39H52N8O18S 952.3121 NA PeJP NA NA +PJ097200 GSCCNNNNQ C32H52N14O16S2 952.3127 NA PeJP NA NA +PJ097201 CCNNNDDR C32H52N14O16S2 952.3128 NA PeJP NA NA +PJ097202 CNEMMYY C40H56N8O13S3 952.3129 NA PeJP NA NA +PJ097203 SCCCNMHR C33H56N14O11S4 952.3136 NA PeJP NA NA +PJ097204 GCCCHHFF C41H52N12O9S3 952.3143 NA PeJP NA NA +PJ097205 SSDEEEEE C35H52N8O23 952.3146 NA PeJP NA NA +PJ097206 SPDDEEMM C36H56N8O18S2 952.3154 NA PeJP NA NA +PJ097207 GDDDEEHH C36H48N12O19 952.3159 NA PeJP NA NA +PJ097208 SSTCMMMY C37H60N8O13S4 952.3163 NA PeJP NA NA +PJ097209 GSSSSCCHW C37H52N12O14S2 952.3168 NA PeJP NA NA +PJ097210 ACCCCKHW C38H56N12O9S4 952.3177 NA PeJP NA NA +PJ097211 SCNDDDER C33H52N12O19S 952.3193 NA PeJP NA NA +PJ097212 PCCCDQER C34H56N12O14S3 952.3201 NA PeJP NA NA +PJ097213 PCCNDDMR C34H56N12O14S3 952.3202 NA PeJP NA NA +PJ097214 GSPCCDWW C42H52N10O12S2 952.3208 NA PeJP NA NA +MJ098523 Uhdoside A; 3'-O-?-D-Glucopyranosyl, 6'''-O-?-D-glucopyranoside C44H56O23 952.321238 NA MeJP NA NA +MJ098524 Uhdoside A; 6'''-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] C44H56O23 952.321238 NA MeJP NA NA +PJ097215 GSNDDEMW C38H52N10O17S 952.3233 NA PeJP NA NA +PJ097216 GPCNDMMW C39H56N10O12S3 952.3242 NA PeJP NA NA +PJ097217 CCMHHHW C40H52N14O8S3 952.3255 NA PeJP NA NA +PJ097218 GSSSNDEEE C34H52N10O22 952.3258 NA PeJP NA NA +PJ097219 GNNEEEMM C35H56N10O17S2 952.3267 NA PeJP NA NA +PJ097220 SNNDDDHH C35H48N14O18 952.3271 NA PeJP NA NA +PJ097221 GGSNDDDHH C35H48N14O18 952.3272 NA PeJP NA NA +PJ097222 CNDEFYY C43H52N8O15S 952.3273 NA PeJP NA NA +PJ097223 GSEMMMMH C36H60N10O12S4 952.3275 NA PeJP NA NA +PJ097224 GGGPPTCCMM C36H60N10O12S4 952.3276 NA PeJP NA NA +PJ097225 SSCDMHHH C36H52N14O13S2 952.328 NA PeJP NA NA +PJ097226 GCMMYYW C44H56N8O10S3 952.3282 NA PeJP NA NA +PJ097227 GPDDEEEY C39H52N8O20 952.3298 NA PeJP NA NA +PJ097228 SSSCNNNNN C32H52N14O18S 952.3305 NA PeJP NA NA +PJ097229 GSSDMMYY C40H56N8O15S2 952.3307 NA PeJP NA NA +PJ097230 DDDEHHW C40H48N12O16 952.3312 NA PeJP NA NA +PJ097231 GSSTCCCHR C33H56N14O13S3 952.3314 NA PeJP NA NA +PJ097232 CQMMMFY C41H60N8O10S4 952.3315 NA PeJP NA NA +PJ097233 GACMMMFY C41H60N8O10S4 952.3316 NA PeJP NA NA +PJ097234 CCNNQWW C41H52N12O11S2 952.332 NA PeJP NA NA +PJ097235 GGGGGACCWW C41H52N12O11S2 952.3321 NA PeJP NA NA +PJ097236 GTEEEEEM C36H56N8O20S 952.3332 NA PeJP NA NA +PJ097237 GPEEEMMM C37H60N8O15S3 952.3341 NA PeJP NA NA +PJ097238 GSCDDDRW C37H52N12O16S 952.3345 NA PeJP NA NA +PJ097239 GGGGGGSSCEW C37H52N12O16S 952.3346 NA PeJP NA NA +PJ097240 GPCCCERW C38H56N12O11S3 952.3354 NA PeJP NA NA +PJ097241 GSSSDDDDR C33H52N12O21 952.337 NA PeJP NA NA +PJ097242 GGGGGGSSSSDE C33H52N12O21 952.3371 NA PeJP NA NA +PJ097243 GNDDDMMR C34H56N12O16S2 952.3379 NA PeJP NA NA +PJ097244 SCEEHYW C42H52N10O14S 952.3385 NA PeJP NA NA +PJ097245 SNDDMWW C42H52N10O14S 952.3386 NA PeJP NA NA +PJ097246 GSPPCCCMR C35H60N12O11S4 952.3388 NA PeJP NA NA +PJ097247 PCCQMWW C43H56N10O9S3 952.3394 NA PeJP NA NA +PJ097248 SPNNDDEY C38H52N10O19 952.341 NA PeJP NA NA +PJ097249 SSSNDEEW C38H52N10O19 952.3411 NA PeJP NA NA +PJ097250 NNEEMMW C39H56N10O14S2 952.3419 NA PeJP NA NA +PJ097251 GCDFYYW C47H52N8O12S 952.3426 NA PeJP NA NA +PJ097252 SMMMMHW C40H60N10O9S4 952.3428 NA PeJP NA NA +PJ097253 GPCCNHHW C40H52N14O10S2 952.3433 NA PeJP NA NA +PJ097254 SSNQEEEM C35H56N10O19S 952.3444 NA PeJP NA NA +PJ097255 PDDEEYW C43H52N8O17 952.3451 NA PeJP NA NA +PJ097256 SSTEMMMH C36H60N10O14S3 952.3453 NA PeJP NA NA +PJ097257 CNNNNNNF C36H52N14O15S 952.3458 NA PeJP NA NA +PJ097258 STCMYYW C44H56N8O12S2 952.3459 NA PeJP NA NA +PJ097259 GGCEMFFY C44H56N8O12S2 952.346 NA PeJP NA NA +PJ097260 AAMMMMMH C37H64N10O9S5 952.3462 NA PeJP NA NA +PJ097261 GCCCQHFR C37H56N14O10S3 952.3466 NA PeJP NA NA +PJ097262 GGACCCHFR C37H56N14O10S3 952.3467 NA PeJP NA NA +PJ097263 SSSSEMYY C40H56N8O17S 952.3484 NA PeJP NA NA +PJ097264 TEEEEMW C40H56N8O17S 952.3485 NA PeJP NA NA +PJ097265 ACCDDDRR C33H56N14O15S2 952.3491 NA PeJP NA NA +PJ097266 GCCDDERR C33H56N14O15S2 952.3492 NA PeJP NA NA +PJ097267 PEEMMMW C41H60N8O12S3 952.3493 NA PeJP NA NA +PJ097268 GSSCNNWW C41H52N12O13S 952.3498 NA PeJP NA NA +PJ097269 TCCCCKHR C34H60N14O10S4 952.35 NA PeJP NA NA +PJ097270 PCCCRWW C42H56N12O8S3 952.3507 NA PeJP NA NA +PJ097271 STTEEEEE C36H56N8O22 952.3509 NA PeJP NA NA +PJ097272 TTTDEEEE C36H56N8O22 952.351 NA PeJP NA NA +PJ097273 GVEEEEMM C37H60N8O17S2 952.3518 NA PeJP NA NA +PJ097274 GSSSSNNDW C37H52N12O18 952.3523 NA PeJP NA NA +PJ097275 SPPEMMMM C38H64N8O12S4 952.3527 NA PeJP NA NA +PJ097276 CNDEMRW C38H56N12O13S2 952.3532 NA PeJP NA NA +PJ097277 GSCEWWW C46H52N10O11S 952.3538 NA PeJP NA NA +PJ097278 GSSSCQQQE C34H56N12O18S 952.3556 NA PeJP NA NA +PJ097279 SSNDDEMR C34H56N12O18S 952.3557 NA PeJP NA NA +PJ097280 GSSSDEWW C42H52N10O16 952.3563 NA PeJP NA NA +PJ097281 SPCNDMMR C35H60N12O13S3 952.3565 NA PeJP NA NA +PJ097282 GGGGGGAQMMM C35H60N12O13S3 952.3566 NA PeJP NA NA +PJ097283 GCNDDHHR C35H52N16O14S 952.357 NA PeJP NA NA +PJ097284 GNEMMWW C43H56N10O11S2 952.3572 NA PeJP NA NA +PJ097285 GSSQEEMW C39H56N10O16S 952.3597 NA PeJP NA NA +PJ097286 GSDYYYW C47H52N8O14 952.3603 NA PeJP NA NA +PJ097287 SCMMRYY C40H60N10O11S3 952.3605 NA PeJP NA NA +PJ097288 GSPNMMMW C40H60N10O11S3 952.3606 NA PeJP NA NA +PJ097289 NNDMHHW C40H52N14O12S 952.361 NA PeJP NA NA +PJ097290 GCMFFYW C48H56N8O9S2 952.3612 NA PeJP NA NA +PJ097291 GSSSTQEEE C35H56N10O21 952.3622 NA PeJP NA NA +PJ097292 SSSPCCLQE C36H60N10O16S2 952.363 NA PeJP NA NA +PJ097293 EEEEMMR C36H60N10O16S2 952.3631 NA PeJP NA NA +PJ097294 SNNNNNNY C36H52N14O17 952.3635 NA PeJP NA NA +PJ097295 GGGGGGGGGGSNY C36H52N14O17 952.3636 NA PeJP NA NA +PJ097296 PDEEMFW C44H56N8O14S 952.3637 NA PeJP NA NA +PJ097297 ATTMMMMH C37H64N10O11S4 952.3639 NA PeJP NA NA +PJ097298 CCDDRRW C37H56N14O12S2 952.3644 NA PeJP NA NA +PJ097299 CQMMFFF C45H60N8O9S3 952.3646 NA PeJP NA NA +PJ097300 GPTEEEEY C40H56N8O19 952.3662 NA PeJP NA NA +PJ097301 SSCDDDRR C33H56N14O17S 952.3669 NA PeJP NA NA +PJ097302 VEEEMMW C41H60N8O14S2 952.3671 NA PeJP NA NA +PJ097303 NNNNEYW C41H52N12O15 952.3675 NA PeJP NA NA +PJ097304 GGGGNNEYW C41H52N12O15 952.3676 NA PeJP NA NA +PJ097305 SPCCCERR C34H60N14O12S3 952.3678 NA PeJP NA NA +PJ097306 CKMMMFY C42H64N8O9S4 952.3679 NA PeJP NA NA +PJ097307 PPPCMMMF C42H64N8O9S4 952.368 NA PeJP NA NA +PJ097308 GCDMRWW C42H56N12O10S2 952.3684 NA PeJP NA NA +PJ097309 SCWWWW C50H52N10O8S 952.3691 NA PeJP NA NA +PJ097310 SSLEEEEM C37H60N8O19S 952.3696 NA PeJP NA NA +PJ097311 SPVEEMMM C38H64N8O14S3 952.3705 NA PeJP NA NA +PJ097312 GSSDDMRW C38H56N12O15S 952.3709 NA PeJP NA NA +PJ097313 GGGGGGGGAEMF C38H56N12O15S 952.371 NA PeJP NA NA +PJ097314 PPCLMMMM C39H68N8O9S5 952.3713 NA PeJP NA NA +PJ097315 SSSDWWW C46H52N10O13 952.3716 NA PeJP NA NA +PJ097316 GPTCCMRW C39H60N12O10S3 952.3718 NA PeJP NA NA +PJ097317 GPCEHHHH C39H52N16O11S 952.3723 NA PeJP NA NA +PJ097318 NMMWWW C47H56N10O8S2 952.3724 NA PeJP NA NA +MJ098525 Placetin; Placetin A C49H60O19 952.372879 NA MeJP NA NA +PJ097319 GSSSSDEER C34H56N12O20 952.3734 NA PeJP NA NA +PJ097320 GSNEEMMR C35H60N12O15S2 952.3743 NA PeJP NA NA +PJ097321 GSSSNNNHH C35H52N16O16 952.3748 NA PeJP NA NA +PJ097322 SSQEMWW C43H56N10O13S 952.3749 NA PeJP NA NA +PJ097323 GGGGPEMYW C43H56N10O13S 952.375 NA PeJP NA NA +PJ097324 GPCQMMMR C36H64N12O10S4 952.3752 NA PeJP NA NA +PJ097325 SPCCNHHR C36H56N16O11S2 952.3756 NA PeJP NA NA +PJ097326 PCCKMWW C44H60N10O8S3 952.3758 NA PeJP NA NA +PJ097327 GCQHHWW C44H52N14O9S 952.3763 NA PeJP NA NA +PJ097328 SSSTQEEW C39H56N10O18 952.3774 NA PeJP NA NA +PJ097329 GGAAQEEEY C39H56N10O18 952.3775 NA PeJP NA NA +PJ097330 NDKEMMW C40H60N10O13S2 952.3783 NA PeJP NA NA +PJ097331 GSSNEHHW C40H52N14O14 952.3788 NA PeJP NA NA +PJ097332 QMYYYW C48H56N8O11S 952.3789 NA PeJP NA NA +PJ097333 GAMYYYW C48H56N8O11S 952.379 NA PeJP NA NA +PJ097334 NMMHHHF C41H56N14O9S2 952.3796 NA PeJP NA NA +PJ097335 GGMMHHHF C41H56N14O9S2 952.3797 NA PeJP NA NA +PJ097336 SSNKEEEM C36H60N10O18S 952.3808 NA PeJP NA NA +PJ097337 STQEYYY C44H56N8O16 952.3814 NA PeJP NA NA +PJ097338 PTEEEYW C44H56N8O16 952.3815 NA PeJP NA NA +PJ097339 TTTTMMMH C37H64N10O13S3 952.3817 NA PeJP NA NA +PJ097340 SSSCNNRW C37H56N14O14S 952.3821 NA PeJP NA NA +PJ097341 GGSSSCNRW C37H56N14O14S 952.3822 NA PeJP NA NA +MJ098526 Conocurvone C60H56O11 952.382262 NA MeJP NA NA +C10318 Conocurvone C60H56O11 952.3823 NA KEGG NA NA +PJ097342 PPEMMYW C45H60N8O11S2 952.3823 NA PeJP NA NA +PJ097343 GNNNYWW C45H52N12O12 952.3828 NA PeJP NA NA +PJ097344 GCCCKHFR C38H60N14O9S3 952.383 NA PeJP NA NA +PJ097345 SSSSSNNDR C33H56N14O19 952.3846 NA PeJP NA NA +PJ097346 GGSSSSSNDR C33H56N14O19 952.3847 NA PeJP NA NA +PJ097347 SSTTTMYY C41H60N8O16S 952.3848 NA PeJP NA NA +PJ097348 GSCDEMRR C34H60N14O14S2 952.3855 NA PeJP NA NA +PJ097349 SKMMMYY C42H64N8O11S3 952.3857 NA PeJP NA NA +PJ097350 SSCERWW C42H56N12O12S 952.3862 NA PeJP NA NA +PJ097351 GPCCMMRR C35H64N14O9S4 952.3864 NA PeJP NA NA +PJ097352 NDFWWW C50H52N10O10 952.3868 NA PeJP NA NA +PJ097353 PCHHHHW C43H52N16O8S 952.3875 NA PeJP NA NA +PJ097354 ATLEEEMM C38H64N8O16S2 952.3882 NA PeJP NA NA +PJ097355 SSSSDERW C38H56N12O17 952.3887 NA PeJP NA NA +PJ097356 APLEMMMM C39H68N8O11S4 952.3891 NA PeJP NA NA +MJ098527 Tremasterol A; 2',3',4',6'-Tetra-Ac C43H69O19PS 952.389137 NA MeJP NA NA +PJ097357 SNEMMRW C39H60N12O12S2 952.3895 NA PeJP NA NA +PJ097358 GGSEMMRW C39H60N12O12S2 952.3896 NA PeJP NA NA +PJ097359 GNNNNHHF C39H52N16O13 952.39 NA PeJP NA NA +PJ097360 GGGGGGGGGHHF C39H52N16O13 952.3901 NA PeJP NA NA +PJ097361 GSTMWWW C47H56N10O10S 952.3902 NA PeJP NA NA +PJ097362 SSSQEEMR C35H60N12O17S 952.392 NA PeJP NA NA +PJ097363 GGSSTEEMR C35H60N12O17S 952.3921 NA PeJP NA NA +PJ097364 GSSTTEWW C43H56N10O15 952.3927 NA PeJP NA NA +PJ097365 QQEMMMR C36H64N12O12S3 952.3929 NA PeJP NA NA +PJ097366 GSNDMHHR C36H56N16O13S 952.3934 NA PeJP NA NA +PJ097367 GDKMMWW C44H60N10O10S2 952.3936 NA PeJP NA NA +PJ097368 SSNHHWW C44H52N14O11 952.394 NA PeJP NA NA +PJ097369 GGDHHHFF C44H52N14O11 952.3941 NA PeJP NA NA +PJ097370 GCFFFFW C52H56N8O8S 952.3942 NA PeJP NA NA +PJ097371 GSSKEEMW C40H60N10O15S 952.3961 NA PeJP NA NA +PJ097372 GTTYYYW C48H56N8O13 952.3967 NA PeJP NA NA +PJ097373 GGSSCCQRR C33H60N16O13S2 952.3968 NA PeJP NA NA +PJ097374 VQQMMMW C41H64N10O10S3 952.3969 NA PeJP NA NA +PJ097375 GGGALMMMW C41H64N10O10S3 952.397 NA PeJP NA NA +PJ097376 CNNNFRW C41H56N14O11S 952.3974 NA PeJP NA NA +PJ097377 GSSSTKEEE C36H60N10O20 952.3986 NA PeJP NA NA +PJ097378 GTQKEEMM C37H64N10O15S2 952.3994 NA PeJP NA NA +PJ097379 GGATKEEMM C37H64N10O15S2 952.3995 NA PeJP NA NA +PJ097380 NDDDRRY C37H56N14O16 952.3999 NA PeJP NA NA +PJ097381 PVEEMYW C45H60N8O13S 952.4001 NA PeJP NA NA +PJ097382 GPQKMMMM C38H68N10O10S4 952.4003 NA PeJP NA NA +PJ097383 SCDMRRW C38H60N14O11S2 952.4008 NA PeJP NA NA +PJ097384 CKMMFFF C46H64N8O8S3 952.401 NA PeJP NA NA +PJ097385 DDHHHHR C38H52N18O12 952.4013 NA PeJP NA NA +PJ097386 PPCQHWW C46H56N12O9S 952.4014 NA PeJP NA NA +PJ097387 AALEEEEY C41H60N8O18 952.4026 NA PeJP NA NA +PJ097388 SSSDDMRR C34H60N14O16S 952.4033 NA PeJP NA NA +PJ097389 SPPVEMMY C42H64N8O13S2 952.4035 NA PeJP NA NA +PJ097390 GNEERYW C42H56N12O14 952.4039 NA PeJP NA NA +PJ097391 GGGGGGDKYW C42H56N12O14 952.404 NA PeJP NA NA +PJ097392 NDMMMRR C35H64N14O11S3 952.4041 NA PeJP NA NA +PJ097393 GGDMMMRR C35H64N14O11S3 952.4042 NA PeJP NA NA +PJ097394 GSMMRWW C43H60N12O9S2 952.4048 NA PeJP NA NA +PJ097395 AEHHHHW C43H52N16O10 952.4053 NA PeJP NA NA +PJ097396 MHFFWW C51H56N10O7S 952.4055 NA PeJP NA NA +PJ097397 TTTLEEEM C38H64N8O18S 952.406 NA PeJP NA NA +PJ097398 GLLEEMMM C39H68N8O13S3 952.4068 NA PeJP NA NA +PJ097399 GSSTEMRW C39H60N12O14S 952.4073 NA PeJP NA NA +PJ097400 SSTTWWW C47H56N10O12 952.4079 NA PeJP NA NA +PJ097401 AAQEYWW C47H56N10O12 952.408 NA PeJP NA NA +PJ097402 AQMMMRW C40H64N12O9S3 952.4082 NA PeJP NA NA +PJ097403 SCQHHRW C40H56N16O10S 952.4086 NA PeJP NA NA +PJ097404 GGTCHHRW C40H56N16O10S 952.4087 NA PeJP NA NA +PJ097405 GSSSTTEER C35H60N12O19 952.4098 NA PeJP NA NA +PJ097406 GSDKEMMR C36H64N12O14S2 952.4107 NA PeJP NA NA +PJ097407 SSSNEHHR C36H56N16O15 952.4111 NA PeJP NA NA +PJ097408 GGSSSEHHR C36H56N16O15 952.4112 NA PeJP NA NA +PJ097409 SSKEMWW C44H60N10O12S 952.4113 NA PeJP NA NA +PJ097410 GPCKMMMR C37H68N12O9S4 952.4116 NA PeJP NA NA +PJ097411 QFFYYW C52H56N8O10 952.412 NA PeJP NA NA +PJ097412 GCKHHWW C45H56N14O8S 952.4127 NA PeJP NA NA +PJ097413 SSSTKEEW C40H60N10O17 952.4138 NA PeJP NA NA +PJ097414 GGAAPPPEEE C40H60N10O17 952.4139 NA PeJP NA NA +PJ097415 GSSSSCNRR C33H60N16O15S 952.4145 NA PeJP NA NA +PJ097416 TQKEMMW C41H64N10O12S2 952.4147 NA PeJP NA NA +PJ097417 SNNNRYW C41H56N14O13 952.4152 NA PeJP NA NA +PJ097418 KMYYYW C49H60N8O10S 952.4153 NA PeJP NA NA +PJ097419 PPEMFFW C49H60N8O10S 952.4154 NA PeJP NA NA +PJ097420 SSDKKEEM C37H64N10O17S 952.4172 NA PeJP NA NA +PJ097421 STKEYYY C45H60N8O15 952.4178 NA PeJP NA NA +PJ097422 VVEEEYW C45H60N8O15 952.4179 NA PeJP NA NA +PJ097423 GVQKEMMM C38H68N10O12S3 952.4181 NA PeJP NA NA +PJ097424 GSPCDRRY C38H60N14O13S 952.4185 NA PeJP NA NA +PJ097425 GGGGGAQMRY C38H60N14O13S 952.4186 NA PeJP NA NA +PJ097426 PLEMMFW C46H64N8O10S2 952.4187 NA PeJP NA NA +PJ097427 NERYWW C46H56N12O11 952.4192 NA PeJP NA NA +PJ097428 ACMMRRW C39H64N14O8S3 952.4194 NA PeJP NA NA +PJ097429 SSSSSSQQR C34H60N14O18 952.421 NA PeJP NA NA +PJ097430 APTLEEMY C42H64N8O15S 952.4212 NA PeJP NA NA +PJ097431 GSSEMMRR C35H64N14O13S2 952.4219 NA PeJP NA NA +PJ097432 LLEMMMW C43H68N8O10S3 952.4221 NA PeJP NA NA +PJ097433 GNNNNQHR C35H56N18O14 952.4224 NA PeJP NA NA +PJ097434 SSTMRWW C43H60N12O11S 952.4225 NA PeJP NA NA +PJ097435 TTTCRWW C43H60N12O11S 952.4226 NA PeJP NA NA +PJ097436 VNYWWW C51H56N10O9 952.4232 NA PeJP NA NA +PJ097437 CNMHHRR C36H60N18O9S2 952.4233 NA PeJP NA NA +PJ097438 STLLEEMM C39H68N8O15S2 952.4246 NA PeJP NA NA +PJ097439 ASSSSSNKW C39H60N12O16 952.425 NA PeJP NA NA +PJ097440 SSSTTERW C39H60N12O16 952.4251 NA PeJP NA NA +PJ097441 SPLLMMMM C40H72N8O10S4 952.4255 NA PeJP NA NA +PJ097442 SDKMMRW C40H64N12O11S2 952.4259 NA PeJP NA NA +PJ097443 GGGGPCCKKF C40H64N12O11S2 952.426 NA PeJP NA NA +PJ097444 GSSSHHRW C40H56N16O12 952.4264 NA PeJP NA NA +PJ097445 APCKYWW C48H60N10O9S 952.4266 NA PeJP NA NA +PJ097446 SSSKEEMR C36H64N12O16S 952.4284 NA PeJP NA NA +PJ097447 SSSSTLWW C44H60N10O14 952.4291 NA PeJP NA NA +PJ097448 QKEMMMR C37H68N12O11S3 952.4293 NA PeJP NA NA +PJ097449 CNNQRRY C37H60N16O12S 952.4298 NA PeJP NA NA +PJ097450 ATKMMWW C45H64N10O9S2 952.4299 NA PeJP NA NA +PJ097451 VTCKMWW C45H64N10O9S2 952.43 NA PeJP NA NA +PJ097452 GPDHRWW C45H56N14O10 952.4304 NA PeJP NA NA +PJ097453 ASTTKEMW C41H64N10O14S 952.4324 NA PeJP NA NA +PJ097454 GTTTKEMW C41H64N10O14S 952.4325 NA PeJP NA NA +PJ097455 PPVEYYW C49H60N8O12 952.4331 NA PeJP NA NA +PJ097456 GGSSCCKRR C34H64N16O12S2 952.4332 NA PeJP NA NA +PJ097457 VQKMMMW C42H68N10O9S3 952.4333 NA PeJP NA NA +PJ097458 GCEFRRW C42H60N14O10S 952.4338 NA PeJP NA NA +PJ097459 GRYWWW C50H56N12O8 952.4344 NA PeJP NA NA +PJ097460 SSSSSLKEE C37H64N10O19 952.4349 NA PeJP NA NA +PJ097461 ASSTTTKEE C37H64N10O19 952.435 NA PeJP NA NA +PJ097462 GTKKEEMM C38H68N10O14S2 952.4358 NA PeJP NA NA +PJ097463 SNEERRY C38H60N14O15 952.4363 NA PeJP NA NA +PJ097464 VLEEMFW C46H64N8O12S 952.4365 NA PeJP NA NA +PJ097465 GPKKMMMM C39H72N10O9S4 952.4367 NA PeJP NA NA +PJ097466 SSMMRRW C39H64N14O10S2 952.4372 NA PeJP NA NA +PJ097467 TEHHHHR C39H56N18O11 952.4376 NA PeJP NA NA +PJ097468 GGGSKHHHH C39H56N18O11 952.4377 NA PeJP NA NA +PJ097469 QMFRWW C47H60N12O8S 952.4378 NA PeJP NA NA +PJ097470 GTLLEEEY C42H64N8O17 952.439 NA PeJP NA NA +PJ097471 SSSTEMRR C35H64N14O15S 952.4397 NA PeJP NA NA +PJ097472 PPTTLMMY C43H68N8O12S2 952.4398 NA PeJP NA NA +PJ097473 GPLLEMMY C43H68N8O12S2 952.4399 NA PeJP NA NA +PJ097474 GDKERYW C43H60N12O13 952.4403 NA PeJP NA NA +PJ097475 GGGGGGGGALFF C43H60N12O13 952.4404 NA PeJP NA NA +PJ097476 TQMMMRR C36H68N14O10S3 952.4405 NA PeJP NA NA +PJ097477 GGACCKKMR C36H68N14O10S3 952.4406 NA PeJP NA NA +PJ097478 GSTCHHRR C36H60N18O11S 952.441 NA PeJP NA NA +PJ097479 VLMMHHW C44H64N12O8S2 952.4412 NA PeJP NA NA +PJ097480 GNHHFRW C44H56N16O9 952.4417 NA PeJP NA NA +PJ097481 SVLLEMMM C40H72N8O12S3 952.4432 NA PeJP NA NA +PJ097482 SSSSLMRW C40H64N12O13S 952.4437 NA PeJP NA NA +PJ097483 AAKEYWW C48H60N10O11 952.4443 NA PeJP NA NA +PJ097484 GPPPVDWW C48H60N10O11 952.4444 NA PeJP NA NA +PJ097485 AKMMMRW C41H68N12O8S3 952.4446 NA PeJP NA NA +PJ097486 SCKHHRW C41H60N16O9S 952.445 NA PeJP NA NA +PJ097487 SSSSSTLER C36H64N12O18 952.4462 NA PeJP NA NA +PJ097488 GTTKEMMR C37H68N12O13S2 952.4471 NA PeJP NA NA +PJ097489 GSSNNRRY C37H60N16O14 952.4475 NA PeJP NA NA +PJ097490 GGGGGVQEHR C37H60N16O14 952.4476 NA PeJP NA NA +PJ097491 TTTKMWW C45H64N10O11S 952.4477 NA PeJP NA NA +PJ097492 KFFYYW C53H60N8O9 952.4484 NA PeJP NA NA +PJ097493 CFRRWW C46H60N14O7S 952.4491 NA PeJP NA NA +PJ097494 STTTTKEW C41H64N10O16 952.4502 NA PeJP NA NA +PJ097495 TKKEMMW C42H68N10O11S2 952.4511 NA PeJP NA NA +PJ097496 PTQEHRW C42H60N14O12 952.4515 NA PeJP NA NA +PJ097497 GSERRYW C42H60N14O12 952.4516 NA PeJP NA NA +PJ097498 PPLMFYW C50H64N8O9S 952.4517 NA PeJP NA NA +PJ097499 TCMMRRR C35H68N16O9S3 952.4518 NA PeJP NA NA +PJ097500 STTKKEEM C38H68N10O16S 952.4536 NA PeJP NA NA +C15691 Anabaenopeptilide 90A C46H64N8O14 952.4542 NA KEGG NA NA +PJ097501 TLLEEYW C46H64N8O14 952.4542 NA PeJP NA NA +PJ097502 GVKKEMMM C39H72N10O11S3 952.4545 NA PeJP NA NA +PJ097503 AQEMRRY C39H64N14O12S 952.4549 NA PeJP NA NA +PJ097504 GGGGGAPPPMR C39H64N14O12S 952.455 NA PeJP NA NA +PJ097505 PLLMMYW C47H68N8O9S2 952.4551 NA PeJP NA NA +PJ097506 DKRYWW C47H60N12O10 952.4556 NA PeJP NA NA +PJ097507 VMHHHHR C40H60N18O8S 952.4563 NA PeJP NA NA +PJ097508 SSSSSSQKR C35H64N14O17 952.4574 NA PeJP NA NA +PJ097509 GVLLEEMY C43H68N8O14S 952.4576 NA PeJP NA NA +PJ097510 GTTTMMRR C36H68N14O12S2 952.4583 NA PeJP NA NA +PJ097511 APLLMMMF C44H72N8O9S3 952.4585 NA PeJP NA NA +PJ097512 SSSSHHRR C36H60N18O13 952.4588 NA PeJP NA NA +PJ097513 GLQMRYW C44H64N12O10S 952.4589 NA PeJP NA NA +PJ097514 GGALMRYW C44H64N12O10S 952.459 NA PeJP NA NA +PJ097515 TKFWWW C52H60N10O8 952.4596 NA PeJP NA NA +PJ097516 STTTTTRW C40H64N12O15 952.4614 NA PeJP NA NA +PJ097517 GATKEERY C40H64N12O15 952.4615 NA PeJP NA NA +PJ097518 ALLLMMMM C41H76N8O9S4 952.4619 NA PeJP NA NA +3417 ACE inhibitor PTHIKWGD 952.4619 ACE inhibitor Inhouse_peptide NA peptide +PJ097519 TTKMMRW C41H68N12O10S2 952.4623 NA PeJP NA NA +PJ097520 SPDHRRW C41H60N16O11 952.4628 NA PeJP NA NA +PJ097521 GVKMFWW C49H64N10O8S 952.463 NA PeJP NA NA +PJ097522 STTTKEMR C37H68N12O15S 952.4648 NA PeJP NA NA +PJ097523 AKKEEYW C45H64N10O13 952.4655 NA PeJP NA NA +PJ097524 KKEMMMR C38H72N12O10S3 952.4657 NA PeJP NA NA +PJ097525 GDMRRRY C38H64N16O11S 952.4662 NA PeJP NA NA +PJ097526 LKMMHFF C46H68N10O8S2 952.4663 NA PeJP NA NA +MJ098528 12-Oleanene-3,22,30-triol, 30-Carboxylic acid, 30?22-lactone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H72O19 952.46678 NA MeJP NA NA +MJ098529 16,23-Epoxycholest-24-ene-1,3,11,19,22-pentol, 3-O-(3,4,5-Trimethoxybenzoyl), 22-O-[?-L-arabinopyranosyl-(1?4)-?-D-glucopyranoside] C48H72O19 952.46678 NA MeJP NA NA +MJ098530 Stauntogenin; 3-O-[?-L-Diginopyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-thevetopyranoside] C48H72O19 952.46678 NA MeJP NA NA +PJ097527 SRRYWW C46H60N14O9 952.4668 NA PeJP NA NA +PJ097528 SSTTLKMW C42H68N10O13S 952.4688 NA PeJP NA NA +PJ097529 GGGVLKEMY C42H68N10O13S 952.4689 NA PeJP NA NA +PJ097530 PVLEFYW C50H64N8O11 952.4695 NA PeJP NA NA +PJ097531 VKKMMMW C43H72N10O8S3 952.4697 NA PeJP NA NA +PJ097532 AAMRRYW C43H64N14O9S 952.4702 NA PeJP NA NA +PJ097533 SSSTTTLKE C38H68N10O18 952.4713 NA PeJP NA NA +PJ097534 SSLKKEMM C39H72N10O13S2 952.4722 NA PeJP NA NA +PJ097535 SDKERRY C39H64N14O14 952.4727 NA PeJP NA NA +PJ097536 VLLEMYW C47H68N8O11S 952.4729 NA PeJP NA NA +PJ097537 PCKMRRY C40H68N14O9S2 952.4736 NA PeJP NA NA +PJ097538 GNQHRRW C40H60N18O10 952.474 NA PeJP NA NA +PJ097539 KMFRWW C48H64N12O7S 952.4742 NA PeJP NA NA +PJ097540 SSLLLEEY C43H68N8O16 952.4754 NA PeJP NA NA +PJ097541 STTTTMRR C36H68N14O14S 952.476 NA PeJP NA NA +PJ097542 GSSSTCKKR C36H68N14O14S 952.4761 NA PeJP NA NA +PJ097543 SPVLLMMY C44H72N8O11S2 952.4762 NA PeJP NA NA +PJ097544 ATKERYW C44H64N12O12 952.4767 NA PeJP NA NA +PJ097545 TKMMMRR C37H72N14O9S3 952.4769 NA PeJP NA NA +PJ097546 PCEHRRR C37H64N18O10S 952.4774 NA PeJP NA NA +PJ097547 TTLLLMMM C41H76N8O11S3 952.4796 NA PeJP NA NA +PJ097548 SSSCKKKW C41H68N12O12S 952.4801 NA PeJP NA NA +PJ097549 GTLKYWW C49H64N10O10 952.4807 NA PeJP NA NA +PJ097550 APMHRRW C42H64N16O8S 952.4814 NA PeJP NA NA +PJ097551 SSSTTTTLR C37H68N12O17 952.4826 NA PeJP NA NA +7567 ACE inhibitor KVREGTTY 952.483 antioxidative Inhouse_peptide NA peptide +PJ097552 SSTLKMMR C38H72N12O12S2 952.4834 NA PeJP NA NA +PJ097553 GGSSKKKMM C38H72N12O12S2 952.4835 NA PeJP NA NA +PJ097554 SSERRRY C38H64N16O13 952.4839 NA PeJP NA NA +PJ097555 GGGGGGGGPPKR C38H64N16O13 952.484 NA PeJP NA NA +PJ097556 PTKKMYW C46H68N10O10S 952.4841 NA PeJP NA NA +PJ097557 PPLFFFW C54H64N8O8 952.4848 NA PeJP NA NA +PJ097558 PNHHHRR C39H60N20O9 952.4853 NA PeJP NA NA +PJ097559 KKKEEEY C42H68N10O15 952.4866 NA PeJP NA NA +PJ097560 GPVKKMMY C43H72N10O10S2 952.4875 NA PeJP NA NA +PJ097561 ATTRRYW C43H64N14O11 952.4879 NA PeJP NA NA +MJ098531 Furostane-2,3,6,22,26-pentol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside C45H76O21 952.487909 NA MeJP NA NA +PJ097562 GGVLEHRW C43H64N14O11 952.488 NA PeJP NA NA +PJ097563 PLLMFFW C51H68N8O8S 952.4881 NA PeJP NA NA +PJ097564 SSSSTLLKM C39H72N10O15S 952.49 NA PeJP NA NA +PJ097565 GPVLLEYY C47H68N8O13 952.4906 NA PeJP NA NA +PJ097566 ATLKKMMM C40H76N10O10S3 952.4908 NA PeJP NA NA +PJ097567 AKEMRRY C40H68N14O11S 952.4913 NA PeJP NA NA +PJ097568 LLLMMFW C48H72N8O8S2 952.4915 NA PeJP NA NA +PJ097569 SPLKHWW C48H64N12O9 952.492 NA PeJP NA NA +PJ097570 SSSSSSKKR C36H68N14O16 952.4938 NA PeJP NA NA +PJ097571 ATLLLEMY C44H72N8O13S 952.494 NA PeJP NA NA +PJ097572 STCCKKKR C37H72N14O11S2 952.4947 NA PeJP NA NA +PJ097573 TQQQHRR C37H64N18O12 952.4951 NA PeJP NA NA +PJ097574 AEEHRRR C37H64N18O12 952.4952 NA PeJP NA NA +PJ097575 GLKMRYW C45H68N12O9S 952.4953 NA PeJP NA NA +PJ097576 TKKEERY C41H68N12O14 952.4978 NA PeJP NA NA +PJ097577 GGPPVLEER C41H68N12O14 952.4979 NA PeJP NA NA +PJ097578 PKKMMRY C42H72N12O9S2 952.4987 NA PeJP NA NA +PJ097579 GLEHRRW C42H64N16O10 952.4992 NA PeJP NA NA +PJ097580 GSSSTKKKM C38H72N12O14S 952.5012 NA PeJP NA NA +PJ097581 SLKKEYW C46H68N10O12 952.5018 NA PeJP NA NA +MJ098532 Cyanoginosin; Cyanoginosin AR C46H68N10O12 952.501817 NA MeJP NA NA +PJ097582 TLDKKYW C46H68N10O12 952.5019 NA PeJP NA NA +PJ097583 GCKKKKMM C39H76N12O9S3 952.5021 NA PeJP NA NA +PJ097584 ATMRRRY C39H68N16O10S 952.5025 NA PeJP NA NA +PJ097585 PKEMHRR C39H68N16O10S 952.5026 NA PeJP NA NA +MJ098533 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 12-Tigloyl, 11-Ac, 3-O-[3-O-methyl-6-deoxy-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H76O18 952.503165 NA MeJP NA NA +PJ097586 GVLHRWW C47H64N14O8 952.5032 NA PeJP NA NA +PJ097587 AALKKEMY C43H72N10O12S 952.5052 NA PeJP NA NA +PJ097588 PVLLYYW C51H68N8O10 952.5059 NA PeJP NA NA +PJ097589 SNQHRRR C36H64N20O11 952.5064 NA PeJP NA NA +PJ097590 PVKMHRW C44H68N14O8S 952.5066 NA PeJP NA NA +PJ097591 STTTTTTLK C39H72N10O17 952.5077 NA PeJP NA NA +PJ097592 TTTLKKMM C40H76N10O12S2 952.5086 NA PeJP NA NA +PJ097593 TTKERRY C40H68N14O13 952.5091 NA PeJP NA NA +PJ097594 GPLLLMFY C48H72N8O10S 952.5093 NA PeJP NA NA +PJ097595 CLKMFRR C41H72N14O8S2 952.5099 NA PeJP NA NA +PJ097596 GNKHRRW C41H64N18O9 952.5104 NA PeJP NA NA +PJ097597 TTTLLLEY C44H72N8O15 952.5117 NA PeJP NA NA +PJ097598 GLLLLMMY C45H76N8O10S2 952.5126 NA PeJP NA NA +PJ097599 STLKRYW C45H68N12O11 952.5131 NA PeJP NA NA +PJ097600 PTMHRRR C38H68N18O9S 952.5138 NA PeJP NA NA +PJ097601 LHRRWW C46H64N16O7 952.5144 NA PeJP NA NA +3053 indolicidin from bovine granulocytes ILPWKWPWWPWRR~ 952.5155 MH2+ Inhouse_peptide NA peptide +PJ097602 VKKEMRY C42H72N12O11S 952.5165 NA PeJP NA NA +PJ097603 AAPPLLWW C50H68N10O9 952.5171 NA PeJP NA NA +MJ098534 Sorangicin A, O21-?-D-(6-Deoxyglucopyranoside) C53H76O15 952.518421 NA MeJP NA NA +MJ098535 Sorangicin A; 22-Deoxy, O21-?-D-Glucopyranoside C53H76O15 952.518421 NA MeJP NA NA +MJ098536 Sorangicin A; O21-?-D-(6-Deoxyglucopyranoside) C53H76O15 952.518421 NA MeJP NA NA +PJ097604 SSSSTTKKK C38H72N12O16 952.5189 NA PeJP NA NA +PJ097605 STCKKKKM C39H76N12O11S2 952.5198 NA PeJP NA NA +PJ097606 TTTRRRY C39H68N16O12 952.5203 NA PeJP NA NA +PJ097607 VVKKMYW C47H72N10O9S 952.5205 NA PeJP NA NA +PJ097608 ATTLKKEY C43H72N10O14 952.523 NA PeJP NA NA +PJ097609 GVLKKMMF C44H76N10O9S2 952.5239 NA PeJP NA NA +PJ097610 PPLERRW C44H68N14O10 952.5243 NA PeJP NA NA +PJ097611 APTLLLYY C48H72N8O12 952.527 NA PeJP NA NA +PJ097612 SLKMRRY C41H72N14O10S 952.5277 NA PeJP NA NA +PJ097613 VVVKHWW C49H68N12O8 952.5283 NA PeJP NA NA +PJ097614 PPVLRWW C49H68N12O8 952.5284 NA PeJP NA NA +PJ097615 STLLLLMY C45H76N8O12S 952.5304 NA PeJP NA NA +PJ097616 SLEHRRR C38H68N18O11 952.5315 NA PeJP NA NA +PJ097617 GGGPPTRRR C38H68N18O11 952.5316 NA PeJP NA NA +PJ097618 PKKMFFR C46H72N12O8S 952.5317 NA PeJP NA NA +PJ097619 SSSLLKRY C42H72N12O13 952.5342 NA PeJP NA NA +PJ097620 GGGGGGGPVLLL C42H72N12O13 952.5343 NA PeJP NA NA +PJ097621 LKKMMFR C43H76N12O8S2 952.5351 NA PeJP NA NA +PJ097622 SVLHRRW C43H68N16O9 952.5356 NA PeJP NA NA +PJ097623 SPPLLLQW C47H72N10O11 952.5382 NA PeJP NA NA +PJ097624 APPLLKEW C47H72N10O11 952.5383 NA PeJP NA NA +PJ097625 LLQMHRR C40H72N16O9S 952.5389 NA PeJP NA NA +MJ098537 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-thevetopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-digitoxopyranoside] C50H80O17 952.539551 NA MeJP NA NA +PJ097626 GTLLKKMY C44H76N10O11S 952.5416 NA PeJP NA NA +PJ097627 VLLLFYW C52H72N8O9 952.5423 NA PeJP NA NA +PJ097628 SNKHRRR C37H68N20O10 952.5428 NA PeJP NA NA +PJ097629 SPPLQQKR C41H72N14O12 952.5454 NA PeJP NA NA +PJ097630 GSSKKKRY C41H72N14O12 952.5455 NA PeJP NA NA +PJ097631 GLLLLMFF C49H76N8O9S 952.5456 NA PeJP NA NA +PJ097632 FRRRRY C42H68N18O8 952.5468 NA PeJP NA NA +MJ098538 Polyoxypeptin A; 4''-Deoxy C45H76N8O14 952.548099 NA MeJP NA NA +PJ097633 APPTLLRW C46H72N12O10 952.5495 NA PeJP NA NA +PJ097634 VVMHRRR C39H72N18O8S 952.5502 NA PeJP NA NA +PJ097635 QKKKKMY C43H76N12O10S 952.5528 NA PeJP NA NA +PJ097636 GAKKKKMY C43H76N12O10S 952.5529 NA PeJP NA NA +PJ097637 VVKKFFW C51H72N10O8 952.5535 NA PeJP NA NA +PJ097638 GTTLLHRR C40H72N16O11 952.5567 NA PeJP NA NA +PJ097639 STTLLKKY C44H76N10O13 952.5594 NA PeJP NA NA +PJ097640 TLLKHRW C45H72N14O9 952.5607 NA PeJP NA NA +PJ097641 GVLLLLYY C49H76N8O11 952.5634 NA PeJP NA NA +PJ097642 CKKKKRY C42H76N14O9S 952.5641 NA PeJP NA NA +PJ097643 GSPPKRRR C39H72N18O10 952.5679 NA PeJP NA NA +PJ097644 GTTKKKKY C43H76N12O12 952.5706 NA PeJP NA NA +PJ097645 AKKKHRW C44H72N16O8 952.5719 NA PeJP NA NA +PJ097646 SPPLLLKW C48H76N10O10 952.5746 NA PeJP NA NA +PJ097647 LLKMHRR C41H76N16O8S 952.5753 NA PeJP NA NA +PJ097648 TLLLLLMH C45H80N10O10S 952.578 NA PeJP NA NA +PJ097649 PVNRRRR C38H72N20O9 952.5792 NA PeJP NA NA +PJ097650 PPTTLLRR C42H76N14O11 952.5818 NA PeJP NA NA +PJ097651 GPLLLERR C42H76N14O11 952.5819 NA PeJP NA NA +PJ097652 GPVLLLRW C47H76N12O9 952.5859 NA PeJP NA NA +PJ097653 KKKKKMY C44H80N12O9S 952.5892 NA PeJP NA NA +PJ097654 GPRRRRR C37H72N22O8 952.5904 NA PeJP NA NA +PJ097655 APPTKKRR C41H76N16O10 952.5931 NA PeJP NA NA +PJ097656 PLLLLQKE C45H80N10O12 952.5958 NA PeJP NA NA +PJ097657 PLLLRRW C46H76N14O8 952.5971 NA PeJP NA NA +PJ097658 PLQKRRR C40H76N18O9 952.6043 NA PeJP NA NA +PJ097659 PVVLLKER C44H80N12O11 952.607 NA PeJP NA NA +PJ097660 APLLLLKW C49H80N10O9 952.611 NA PeJP NA NA +PJ097661 SPVLLLRR C43H80N14O10 952.6182 NA PeJP NA NA +PJ097662 KKKKKFF C48H80N12O8 952.6222 NA PeJP NA NA +PJ097663 GPVLKKRR C42H80N16O9 952.6295 NA PeJP NA NA +PJ097664 SPVVVVLLK C46H84N10O11 952.6321 NA PeJP NA NA +PJ097665 PLLLLKKE C46H84N10O11 952.6322 NA PeJP NA NA +PJ097666 PLKKRRR C41H80N18O8 952.6407 NA PeJP NA NA +PJ097667 PTLLLLKR C45H84N12O10 952.6434 NA PeJP NA NA +PJ097668 GLLLLLRR C44H84N14O9 952.6546 NA PeJP NA NA +PJ097669 LLLLLLQK C47H88N10O10 952.6685 NA PeJP NA NA +PJ097670 VVLLLLKR C46H88N12O9 952.6798 NA PeJP NA NA +PJ097671 LLLLLLKK C48H92N10O9 952.7049 NA PeJP NA NA +HMDB10326 Thyroxine glucuronide C21H19I4NO10 952.718811 NA HMDB2010 NA NA +HMDB10526 TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C63H100O6 952.752014 NA HMDB2010 NA NA +HMDB10529 TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C63H100O6 952.752014 NA HMDB2010 NA NA +HMDB10534 TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C63H100O6 952.752014 NA HMDB2010 NA NA +HMDB10543 TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C63H100O6 952.752014 NA HMDB2010 NA NA +5345 Indolicidin ILPWKWPWWPWRR 953.0075 MH2+ Inhouse_peptide NA peptide +C15547 1,4-Dihydroxy-2-naphthoyl-CoA C32H42N7O19P3S 953.1469 NA KEGG NA NA +PJ097672 SCCCCCCDD C29H47N9O15S6 953.1516 NA PeJP NA NA +PJ097673 GCCCCCCEM C30H51N9O12S7 953.1703 NA PeJP NA NA +PJ097674 CCCCCCMW C34H51N9O9S7 953.1855 NA PeJP NA NA +PJ097675 SSCCCCCDM C30H51N9O14S6 953.188 NA PeJP NA NA +PJ097676 GPCCCCCCY C34H51N9O11S6 953.2033 NA PeJP NA NA +PJ097677 GTCCCCCMM C31H55N9O11S7 953.2066 NA PeJP NA NA +PJ097678 CCCCNDMY C34H51N9O13S5 953.221 NA PeJP NA NA +PJ097679 SSSCCCCMM C31H55N9O13S6 953.2244 NA PeJP NA NA +PJ097680 GSCCCDDDH C32H47N11O17S3 953.2314 NA PeJP NA NA +PJ097681 GPCCCCCEH C33H51N11O12S5 953.2323 NA PeJP NA NA +PJ097682 ACCCCCYW C38H51N9O10S5 953.2363 NA PeJP NA NA +PJ097683 GPCCDDDDD C33H47N9O20S2 953.2379 NA PeJP NA NA +PJ097684 GSSCCCCEY C34H51N9O15S4 953.2388 NA PeJP NA NA +PJ097685 CCCCNMMF C35H55N9O10S6 953.2397 NA PeJP NA NA +PJ097686 PCCCCCHW C37H51N11O9S5 953.2475 NA PeJP NA NA +PJ097687 CCCNDEMH C33H51N11O14S4 953.25 NA PeJP NA NA +PJ097688 SSCCCCYW C38H51N9O12S4 953.254 NA PeJP NA NA +PJ097689 GGCCCCDFF C38H51N9O12S4 953.2541 NA PeJP NA NA +PJ097690 NDDDDDDM C33H47N9O22S 953.2557 NA PeJP NA NA +PJ097691 SSSSCCCDY C34H51N9O17S3 953.2565 NA PeJP NA NA +PJ097692 SPPCCCDDD C34H51N9O17S3 953.2566 NA PeJP NA NA +PJ097693 SCCCNMMY C35H55N9O12S5 953.2574 NA PeJP NA NA +PJ097694 ASCCCCNNH C32H51N13O13S4 953.2612 NA PeJP NA NA +PJ097695 CCCCDDHR C32H51N13O13S4 953.2613 NA PeJP NA NA +PJ097696 GCCCDMHW C37H51N11O11S4 953.2653 NA PeJP NA NA +PJ097697 GSCNNDDDD C32H47N11O21S 953.2669 NA PeJP NA NA +PJ097698 GSSCCDDMH C33H51N11O16S3 953.2678 NA PeJP NA NA +PJ097699 TCCCCCRY C34H55N11O11S5 953.2686 NA PeJP NA NA +PJ097700 GPTCCCCMH C34H55N11O11S5 953.2687 NA PeJP NA NA +MJ098539 Promothiocin B C42H43N13O10S2 953.269726 NA MeJP NA NA +PJ097701 GCDDDDEW C37H47N9O19S 953.2709 NA PeJP NA NA +PJ097702 GCCCNEYY C38H51N9O14S3 953.2718 NA PeJP NA NA +PJ097703 GSSDDDDDE C33H47N9O24 953.2734 NA PeJP NA NA +PJ097704 GSPCDDDDM C34H51N9O19S2 953.2743 NA PeJP NA NA +PJ097705 GSSTCCCMY C35H55N9O14S4 953.2752 NA PeJP NA NA +PJ097706 SSSCCCNNH C32H51N13O15S3 953.279 NA PeJP NA NA +PJ097707 SSCCCEHW C37H51N11O13S3 953.283 NA PeJP NA NA +PJ097708 SSSSCCDEH C33H51N11O18S2 953.2855 NA PeJP NA NA +PJ097709 GGGGCNDDEM C33H51N11O18S2 953.2856 NA PeJP NA NA +PJ097710 CDDDDWW C41H47N9O16S 953.2862 NA PeJP NA NA +PJ097711 SCCNEMMH C34H55N11O13S4 953.2864 NA PeJP NA NA +PJ097712 CCCNYYW C42H51N9O11S3 953.287 NA PeJP NA NA +PJ097713 GGCCCYYW C42H51N9O11S3 953.2871 NA PeJP NA NA +PJ097714 SSDDDDDW C37H47N9O21 953.2887 NA PeJP NA NA +PJ097715 SSCCNDYY C38H51N9O16S2 953.2895 NA PeJP NA NA +PJ097716 SPCCDDEW C38H51N9O16S2 953.2896 NA PeJP NA NA +PJ097717 PPCCCDMW C39H55N9O11S4 953.2904 NA PeJP NA NA +PJ097718 SNDDDEEM C34H51N9O21S 953.2921 NA PeJP NA NA +PJ097719 SSSSSCCMY C35H55N9O16S3 953.2929 NA PeJP NA NA +PJ097720 TCCCCKMY C36H59N9O11S5 953.2938 NA PeJP NA NA +PJ097721 CCCNNNHF C36H51N13O12S3 953.2943 NA PeJP NA NA +PJ097722 CCNNDDDR C32H51N13O17S2 953.2968 NA PeJP NA NA +PJ097723 CDEMMYY C40H55N7O14S3 953.2969 NA PeJP NA NA +PJ097724 SCCCDMHR C33H55N13O12S4 953.2976 NA PeJP NA NA +PJ097725 GCNNDDMW C37H51N11O15S2 953.3008 NA PeJP NA NA +PJ097726 GSCCMMHW C38H55N11O10S4 953.3017 NA PeJP NA NA +PJ097727 SCDDDDER C33H51N11O20S 953.3033 NA PeJP NA NA +PJ097728 PCCDDDMR C34H55N11O15S3 953.3042 NA PeJP NA NA +PJ097729 GCNMMMMH C35H59N11O10S5 953.305 NA PeJP NA NA +PJ097730 SCCCQHHH C35H51N15O11S3 953.3055 NA PeJP NA NA +PJ097731 GSDDDEMW C38H51N9O18S 953.3073 NA PeJP NA NA +PJ097732 GPCDDMMW C39H55N9O13S3 953.3082 NA PeJP NA NA +PJ097733 GSSSDDEEE C34H51N9O23 953.3098 NA PeJP NA NA +PJ097734 GNDEEEMM C35H55N9O18S2 953.3107 NA PeJP NA NA +PJ097735 SNDDDDHH C35H47N13O19 953.3112 NA PeJP NA NA +PJ097736 CDDEFYY C43H51N7O16S 953.3113 NA PeJP NA NA +PJ097737 GSPPCCEMM C36H59N9O13S4 953.3116 NA PeJP NA NA +PJ097738 SCCNNNNW C36H51N13O14S2 953.312 NA PeJP NA NA +PJ097739 GGGGGGGGSCCW C36H51N13O14S2 953.3121 NA PeJP NA NA +PJ097740 SSSCNNNND C32H51N13O19S 953.3145 NA PeJP NA NA +PJ097741 GGGGGGGGSSSCD C32H51N13O19S 953.3146 NA PeJP NA NA +PJ097742 GSPCCCNDR C33H55N13O14S3 953.3154 NA PeJP NA NA +PJ097743 CEMMMFY C41H59N7O11S4 953.3156 NA PeJP NA NA +PJ097744 CCNNEWW C41H51N11O12S2 953.316 NA PeJP NA NA +PJ097745 GGCCNEWW C41H51N11O12S2 953.3161 NA PeJP NA NA +PJ097746 ACCCMMHR C34H59N13O9S5 953.3163 NA PeJP NA NA +PJ097747 SSCNNDEW C37H51N11O17S 953.3185 NA PeJP NA NA +PJ097748 GGSSCNDEW C37H51N11O17S 953.3186 NA PeJP NA NA +PJ097749 SSTCCMHW C38H55N11O12S3 953.3194 NA PeJP NA NA +PJ097750 SSSSNNDDE C33H51N11O22 953.321 NA PeJP NA NA +PJ097751 GGSSSSNDDE C33H51N11O22 953.3211 NA PeJP NA NA +PJ097752 GDDDDMMR C34H55N11O17S2 953.3219 NA PeJP NA NA +PJ097753 SDDDMWW C42H51N9O15S 953.3226 NA PeJP NA NA +PJ097754 SSCQMMMH C35H59N11O12S4 953.3228 NA PeJP NA NA +PJ097755 GSSSCCHHH C35H51N15O13S2 953.3233 NA PeJP NA NA +PJ097756 PCCEMWW C43H55N9O10S3 953.3234 NA PeJP NA NA +PJ097757 GGACCCFFF C43H55N9O10S3 953.3235 NA PeJP NA NA +PJ097758 SSSDDEEW C38H51N9O20 953.3251 NA PeJP NA NA +PJ097759 NDEEMMW C39H55N9O15S2 953.3259 NA PeJP NA NA +PJ097760 GGDEEMMW C39H55N9O15S2 953.326 NA PeJP NA NA +PJ097761 CCCNNNQR C32H55N15O13S3 953.3266 NA PeJP NA NA +PJ097762 GGGGGGCCCQR C32H55N15O13S3 953.3267 NA PeJP NA NA +PJ097763 SPPCCMMW C40H59N9O10S4 953.3268 NA PeJP NA NA +PJ097764 GPCCDHHW C40H51N13O11S2 953.3273 NA PeJP NA NA +PJ097765 SSNEEEEM C35H55N9O20S 953.3284 NA PeJP NA NA +PJ097766 GGSSEEEEM C35H55N9O20S 953.3285 NA PeJP NA NA +PJ097767 SDDEYYY C43H51N7O18 953.3291 NA PeJP NA NA +PJ097768 SPNDEMMM C36H59N9O15S3 953.3293 NA PeJP NA NA +PJ097769 CNNNNNDF C36H51N13O16S 953.3298 NA PeJP NA NA +PJ097770 PCDMYYY C44H55N7O13S2 953.33 NA PeJP NA NA +PJ097771 PPCNMMMM C37H63N9O10S5 953.3302 NA PeJP NA NA +PJ097772 GCCCEHFR C37H55N13O11S3 953.3307 NA PeJP NA NA +PJ097773 GCCNWWW C45H51N11O9S2 953.3313 NA PeJP NA NA +PJ097774 GSSCNNNQM C33H55N13O16S2 953.3331 NA PeJP NA NA +PJ097775 SCNNDDMR C33H55N13O16S2 953.3332 NA PeJP NA NA +PJ097776 SEMMMYY C41H59N7O13S3 953.3333 NA PeJP NA NA +PJ097777 GSSCNDWW C41H51N11O14S 953.3338 NA PeJP NA NA +PJ097778 SSCCMMHR C34H59N13O11S4 953.334 NA PeJP NA NA +PJ097779 CCQMHFW C42H55N11O9S3 953.3347 NA PeJP NA NA +PJ097780 GSSSSNDDW C37H51N11O19 953.3363 NA PeJP NA NA +PJ097781 CDDEMRW C38H55N11O14S2 953.3372 NA PeJP NA NA +PJ097782 GCCNHHHF C39H51N15O10S2 953.3385 NA PeJP NA NA +PJ097783 SSDDDEMR C34H55N11O19S 953.3397 NA PeJP NA NA +PJ097784 GSPDDDYW C42H51N9O17 953.3403 NA PeJP NA NA +PJ097785 SPCDDMMR C35H59N11O14S3 953.3405 NA PeJP NA NA +PJ097786 PTCCDEMR C35H59N11O14S3 953.3406 NA PeJP NA NA +PJ097787 GCDDDHHR C35H51N15O15S 953.341 NA PeJP NA NA +PJ097788 GDEMMWW C43H55N9O12S2 953.3412 NA PeJP NA NA +PJ097789 ACCKMMMH C36H63N11O9S5 953.3414 NA PeJP NA NA +PJ097790 SCCCKHHH C36H55N15O10S3 953.3419 NA PeJP NA NA +PJ097791 GSSEEEMW C39H55N9O17S 953.3437 NA PeJP NA NA +PJ097792 GSSCCNNNR C32H55N15O15S2 953.3444 NA PeJP NA NA +PJ097793 GSPDMMMW C40H59N9O12S3 953.3446 NA PeJP NA NA +PJ097794 NDDMHHW C40H51N13O13S 953.345 NA PeJP NA NA +PJ097795 GGDDMHHW C40H51N13O13S 953.3451 NA PeJP NA NA +PJ097796 PCCCCNRR C33H59N15O10S4 953.3453 NA PeJP NA NA +PJ097797 CCCHFRW C41H55N13O8S3 953.3459 NA PeJP NA NA +PJ097798 GSSSTEEEE C35H55N9O22 953.3462 NA PeJP NA NA +PJ097799 GTQEEEMM C36H59N9O17S2 953.3471 NA PeJP NA NA +PJ097800 SNNNNNDY C36H51N13O18 953.3475 NA PeJP NA NA +PJ097801 GGGGGGSNNDY C36H51N13O18 953.3476 NA PeJP NA NA +PJ097802 GEEMYYY C44H55N7O15S 953.3477 NA PeJP NA NA +PJ097803 GPQEMMMM C37H63N9O12S4 953.3479 NA PeJP NA NA +PJ097804 GGAPEMMMM C37H63N9O12S4 953.348 NA PeJP NA NA +PJ097805 GSCCNERW C37H55N13O13S2 953.3484 NA PeJP NA NA +PJ097806 PCMMFYY C45H59N7O10S3 953.3486 NA PeJP NA NA +PJ097807 MMMMHHH C38H59N13O8S4 953.3493 NA PeJP NA NA +PJ097808 GSSSCNDER C33H55N13O18S 953.3509 NA PeJP NA NA +PJ097809 NNDEHYY C41H51N11O16 953.3515 NA PeJP NA NA +PJ097810 NNNDEYW C41H51N11O16 953.3516 NA PeJP NA NA +PJ097811 GCNNEMMR C34H59N13O13S3 953.3518 NA PeJP NA NA +PJ097812 CLMMMYY C42H63N7O10S4 953.3519 NA PeJP NA NA +PJ097813 TMMMMFY C42H63N7O10S4 953.352 NA PeJP NA NA +PJ097814 SCNQMWW C42H55N11O11S2 953.3524 NA PeJP NA NA +PJ097815 GGGGAPCCFW C42H55N11O11S2 953.3525 NA PeJP NA NA +PJ097816 SSSNNEMW C38H55N11O16S 953.3549 NA PeJP NA NA +PJ097817 GGGGGGSPDMY C38H55N11O16S 953.355 NA PeJP NA NA +PJ097818 GDDEFWW C46H51N9O14 953.3556 NA PeJP NA NA +PJ097819 NNQMMMW C39H59N11O11S3 953.3558 NA PeJP NA NA +PJ097820 GSCNNHHW C39H51N15O12S 953.3563 NA PeJP NA NA +PJ097821 PPCCYWW C47H55N9O9S2 953.3564 NA PeJP NA NA +PJ097822 DMMWWW C47H55N9O9S2 953.3565 NA PeJP NA NA +PJ097823 SSSSSNQEE C34H55N11O21 953.3574 NA PeJP NA NA +PJ097824 GSDEEMMR C35H59N11O16S2 953.3583 NA PeJP NA NA +PJ097825 GSSSNNDHH C35H51N15O17 953.3588 NA PeJP NA NA +PJ097826 SNNMYYY C43H55N9O14S 953.3589 NA PeJP NA NA +PJ097827 SSEEMWW C43H55N9O14S 953.359 NA PeJP NA NA +PJ097828 GPCEMMMR C36H63N11O11S4 953.3592 NA PeJP NA NA +PJ097829 SPCCDHHR C36H55N15O12S2 953.3596 NA PeJP NA NA +PJ097830 GGGNNMMHH C36H55N15O12S2 953.3597 NA PeJP NA NA +PJ097831 PTCMMWW C44H59N9O9S3 953.3598 NA PeJP NA NA +PJ097832 GCEHHWW C44H51N13O10S 953.3603 NA PeJP NA NA +PJ097833 SSSTEEEW C39H55N9O19 953.3614 NA PeJP NA NA +PJ097834 TTTTDDDW C39H55N9O19 953.3615 NA PeJP NA NA +PJ097835 TQEEMMW C40H59N9O14S2 953.3623 NA PeJP NA NA +PJ097836 GSSDEHHW C40H51N13O15 953.3628 NA PeJP NA NA +PJ097837 EMYYYW C48H55N7O12S 953.363 NA PeJP NA NA +PJ097838 PQMMMMW C41H63N9O9S4 953.3632 NA PeJP NA NA +PJ097839 SCCNRWW C41H55N13O10S2 953.3637 NA PeJP NA NA +PJ097840 SSDKEEEM C36H59N9O19S 953.3648 NA PeJP NA NA +PJ097841 STEEYYY C44H55N7O17 953.3655 NA PeJP NA NA +PJ097842 GVQEEMMM C37H63N9O14S3 953.3657 NA PeJP NA NA +PJ097843 SSSCNDRW C37H55N13O15S 953.3662 NA PeJP NA NA +PJ097844 SPMMYYY C45H59N7O12S2 953.3663 NA PeJP NA NA +PJ097845 GNNDYWW C45H51N11O13 953.3668 NA PeJP NA NA +PJ097846 CNNMMRW C38H59N13O10S3 953.367 NA PeJP NA NA +PJ097847 GGGGCMMRW C38H59N13O10S3 953.3671 NA PeJP NA NA +PJ097848 ASSSSSSNNN C33H55N13O20 953.3686 NA PeJP NA NA +PJ097849 SSSSSNDDR C33H55N13O20 953.3687 NA PeJP NA NA +PJ097850 SSNNDMMR C34H59N13O15S2 953.3695 NA PeJP NA NA +PJ097851 GGGGSSDMMR C34H59N13O15S2 953.3696 NA PeJP NA NA +PJ097852 NNNNNNNH C34H51N17O16 953.37 NA PeJP NA NA +PJ097853 GGGGGGGGGGGGNH C34H51N17O16 953.3701 NA PeJP NA NA +PJ097854 GSSSNMWW C42H55N11O13S 953.3702 NA PeJP NA NA +PJ097855 PCCCNKMR C35H63N13O10S4 953.3704 NA PeJP NA NA +PJ097856 DDFWWW C50H51N9O11 953.3708 NA PeJP NA NA +PJ097857 GCCNQHHR C35H55N17O11S2 953.3709 NA PeJP NA NA +PJ097858 CCKMHFW C43H59N11O8S3 953.3711 NA PeJP NA NA +PJ097859 GSSSSSQEW C38H55N11O18 953.3727 NA PeJP NA NA +PJ097860 SDEMMRW C39H59N11O13S2 953.3736 NA PeJP NA NA +PJ097861 GNNNDHHF C39H51N15O14 953.374 NA PeJP NA NA +PJ097862 GGGGGNDHHF C39H51N15O14 953.3741 NA PeJP NA NA +PJ097863 GPDMYWW C47H55N9O11S 953.3742 NA PeJP NA NA +PJ097864 PCMMMRW C40H63N11O8S4 953.3744 NA PeJP NA NA +PJ097865 CHHWWW C48H51N13O7S 953.3756 NA PeJP NA NA +PJ097866 ASSSSQQEM C35H59N11O18S 953.376 NA PeJP NA NA +PJ097867 SSSEEEMR C35H59N11O18S 953.3761 NA PeJP NA NA +PJ097868 AQEEEYW C43H55N9O16 953.3767 NA PeJP NA NA +PJ097869 QEEMMMR C36H63N11O13S3 953.3769 NA PeJP NA NA +PJ097870 GGGGGKEMMM C36H63N11O13S3 953.377 NA PeJP NA NA +PJ097871 GCNNNNRY C36H55N15O14S 953.3774 NA PeJP NA NA +PJ097872 ATEMMWW C44H59N9O11S2 953.3776 NA PeJP NA NA +PJ097873 SSDHHWW C44H51N13O12 953.3781 NA PeJP NA NA +PJ097874 CCCQRRW C37H59N15O9S3 953.3783 NA PeJP NA NA +PJ097875 GTTTEEMW C40H59N9O16S 953.3801 NA PeJP NA NA +PJ097876 GPEYYYY C48H55N7O14 953.3807 NA PeJP NA NA +PJ097877 SSCCNERR C33H59N15O14S2 953.3808 NA PeJP NA NA +PJ097878 ASPTMMMW C41H63N9O11S3 953.3809 NA PeJP NA NA +PJ097879 VQEMMMW C41H63N9O11S3 953.381 NA PeJP NA NA +PJ097880 CNNDFRW C41H55N13O12S 953.3814 NA PeJP NA NA +PJ097881 PCMFFFY C49H59N7O9S2 953.3816 NA PeJP NA NA +PJ097882 SSSSSLEEE C36H59N9O21 953.3826 NA PeJP NA NA +PJ097883 CHHHHHF C42H51N17O8S 953.3828 NA PeJP NA NA +PJ097884 ASPTTTDMM C37H63N9O16S2 953.3834 NA PeJP NA NA +PJ097885 GTKEEEMM C37H63N9O16S2 953.3835 NA PeJP NA NA +PJ097886 DDDDRRY C37H55N13O17 953.3839 NA PeJP NA NA +PJ097887 GGGGGGGGGGTTY C37H55N13O17 953.384 NA PeJP NA NA +PJ097888 SVEMYYY C45H59N7O14S 953.3841 NA PeJP NA NA +PJ097889 GPKEMMMM C38H67N9O11S4 953.3843 NA PeJP NA NA +PJ097890 GSSCQMRW C38H59N13O12S2 953.3848 NA PeJP NA NA +PJ097891 CLMMFFY C46H63N7O9S3 953.385 NA PeJP NA NA +PJ097892 GSNEHHHH C38H51N17O13 953.3853 NA PeJP NA NA +PJ097893 GNNMFWW C46H55N11O10S 953.3854 NA PeJP NA NA +PJ097894 GGGNMFWW C46H55N11O10S 953.3855 NA PeJP NA NA +PJ097895 GSSSSNEMR C34H59N13O17S 953.3873 NA PeJP NA NA +PJ097896 SSSSSQWW C42H55N11O15 953.3879 NA PeJP NA NA +PJ097897 GDEERYW C42H55N11O15 953.388 NA PeJP NA NA +PJ097898 DDMMMRR C35H63N13O12S3 953.3882 NA PeJP NA NA +PJ097899 SSCNNHHR C35H55N17O13S 953.3886 NA PeJP NA NA +PJ097900 GGGGSSCHHR C35H55N17O13S 953.3887 NA PeJP NA NA +PJ097901 SCNKMWW C43H59N11O10S2 953.3888 NA PeJP NA NA +PJ097902 SSSNDKMW C39H59N11O15S 953.3913 NA PeJP NA NA +PJ097903 AAEEYWW C47H55N9O13 953.392 NA PeJP NA NA +PJ097904 AEMMMRW C40H63N11O10S3 953.3922 NA PeJP NA NA +PJ097905 SCEHHRW C40H55N15O11S 953.3927 NA PeJP NA NA +PJ097906 GPMMFWW C48H59N9O8S2 953.3928 NA PeJP NA NA +PJ097907 SSSSSNKEE C35H59N11O20 953.3938 NA PeJP NA NA +PJ097908 GTTEEMMR C36H63N11O15S2 953.3947 NA PeJP NA NA +PJ097909 SSSDEHHR C36H55N15O16 953.3952 NA PeJP NA NA +PJ097910 TTTEMWW C44H59N9O13S 953.3953 NA PeJP NA NA +PJ097911 GGVEEMFW C44H59N9O13S 953.3954 NA PeJP NA NA +PJ097912 GPTMMMMR C37H67N11O10S4 953.3956 NA PeJP NA NA +PJ097913 PYYYYW C52H55N7O11 953.396 NA PeJP NA NA +PJ097914 GGGAPPCCHR C37H59N15O11S2 953.3961 NA PeJP NA NA +PJ097915 GLMMMWW C45H63N9O8S3 953.3962 NA PeJP NA NA +PJ097916 GTMHHWW C45H55N13O9S 953.3967 NA PeJP NA NA +PJ097917 STTTTEEW C40H59N9O18 953.3978 NA PeJP NA NA +PJ097918 GAKEEEEY C40H59N9O18 953.3979 NA PeJP NA NA +PJ097919 GSSSSCDRR C33H59N15O16S 953.3985 NA PeJP NA NA +PJ097920 TKEEMMW C41H63N9O13S2 953.3987 NA PeJP NA NA +PJ097921 SNNDRYW C41H55N13O14 953.3992 NA PeJP NA NA +PJ097922 APMFYYY C49H59N7O11S 953.3994 NA PeJP NA NA +PJ097923 PKMMMMW C42H67N9O8S4 953.3996 NA PeJP NA NA +PJ097924 VNMMHHW C42H59N13O9S2 953.4001 NA PeJP NA NA +PJ097925 SNHHHHW C42H51N17O10 953.4005 NA PeJP NA NA +PJ097926 STTKEEEM C37H63N9O18S 953.4012 NA PeJP NA NA +PJ097927 GVKEEMMM C38H67N9O13S3 953.4021 NA PeJP NA NA +PJ097928 SSSSNMRW C38H59N13O14S 953.4025 NA PeJP NA NA +PJ097929 GGSSSSMRW C38H59N13O14S 953.4026 NA PeJP NA NA +PJ097930 ALMMYYY C46H63N7O11S2 953.4027 NA PeJP NA NA +PJ097931 DERYWW C46H55N11O12 953.4032 NA PeJP NA NA +PJ097932 CCQKMRW C39H63N13O9S3 953.4034 NA PeJP NA NA +PJ097933 QQMHHHH C39H55N17O10S 953.4039 NA PeJP NA NA +PJ097934 SSSSSSQER C34H59N13O19 953.405 NA PeJP NA NA +PJ097935 GGSSSSSTER C34H59N13O19 953.4051 NA PeJP NA NA +PJ097936 SSSQQMMR C35H63N13O14S2 953.4059 NA PeJP NA NA +PJ097937 GNNNNEHR C35H55N17O15 953.4064 NA PeJP NA NA +PJ097938 GSSTCKWW C43H59N11O12S 953.4066 NA PeJP NA NA +PJ097939 VDYWWW C51H55N9O10 953.4072 NA PeJP NA NA +PJ097940 CDMHHRR C36H59N17O10S2 953.4073 NA PeJP NA NA +PJ097941 GSSSSSKEW C39H59N11O17 953.4091 NA PeJP NA NA +PJ097942 TTEMMRW C40H63N11O12S2 953.4099 NA PeJP NA NA +PJ097943 GGGSTKMMW C40H63N11O12S2 953.41 NA PeJP NA NA +PJ097944 NNQQQHW C40H55N15O13 953.4104 NA PeJP NA NA +PJ097945 GGGGGGGGGVHW C40H55N15O13 953.4105 NA PeJP NA NA +PJ097946 APTMYWW C48H59N9O10S 953.4106 NA PeJP NA NA +PJ097947 GMMHHRW C41H59N15O8S2 953.4113 NA PeJP NA NA +PJ097948 STTTEEMR C36H63N11O17S 953.4124 NA PeJP NA NA +PJ097949 GGGSSTTKEM C36H63N11O17S 953.4125 NA PeJP NA NA +PJ097950 AKEEEYW C44H59N9O15 953.4131 NA PeJP NA NA +PJ097951 KEEMMMR C37H67N11O12S3 953.4133 NA PeJP NA NA +PJ097952 CNNERRY C37H59N15O13S 953.4138 NA PeJP NA NA +PJ097953 STLMMWW C45H63N9O10S2 953.414 NA PeJP NA NA +PJ097954 STTHHWW C45H55N13O11 953.4144 NA PeJP NA NA +PJ097955 GGGGPTHWW C45H55N13O11 953.4145 NA PeJP NA NA +PJ097956 PCFFFFF C53H59N7O8S 953.4146 NA PeJP NA NA +PJ097957 CCCKRRW C38H63N15O8S3 953.4147 NA PeJP NA NA +PJ097958 CQHHHHR C38H55N19O9S 953.4151 NA PeJP NA NA +PJ097959 SSTTLEMW C41H63N9O15S 953.4165 NA PeJP NA NA +PJ097960 SPVYYYY C49H59N7O13 953.4171 NA PeJP NA NA +PJ097961 SSSCQMRR C34H63N15O13S2 953.4172 NA PeJP NA NA +PJ097962 VKEMMMW C42H67N9O10S3 953.4173 NA PeJP NA NA +PJ097963 GGAPLMMMF C42H67N9O10S3 953.4174 NA PeJP NA NA +PJ097964 GNQMRYW C42H59N13O11S 953.4178 NA PeJP NA NA +PJ097965 CLMFFFF C50H63N7O8S2 953.418 NA PeJP NA NA +PJ097966 GNHFFFW C50H55N11O9 953.4185 NA PeJP NA NA +PJ097967 SSSTTTLEE C37H63N9O20 953.419 NA PeJP NA NA +PJ097968 SSLKEEMM C38H67N9O15S2 953.4198 NA PeJP NA NA +PJ097969 GSSSSSTRW C38H59N13O16 953.4203 NA PeJP NA NA +PJ097970 GGGGGGGGGPPVE C38H59N13O16 953.4204 NA PeJP NA NA +PJ097971 TTLMYYY C46H63N7O13S 953.4205 NA PeJP NA NA +PJ097972 SPVKMMMM C39H71N9O10S4 953.4207 NA PeJP NA NA +PJ097973 GSSCKMRW C39H63N13O11S2 953.4212 NA PeJP NA NA +PJ097974 NNNNHRW C39H55N17O12 953.4216 NA PeJP NA NA +PJ097975 GGNNNHRW C39H55N17O12 953.4217 NA PeJP NA NA +PJ097976 EMFRWW C47H59N11O9S 953.4218 NA PeJP NA NA +PJ097977 GSSSSDKMR C35H63N13O16S 953.4237 NA PeJP NA NA +PJ097978 SSSSSKWW C43H59N11O14 953.4243 NA PeJP NA NA +PJ097979 GGAASPPPDW C43H59N11O14 953.4244 NA PeJP NA NA +PJ097980 CCCNQKKK C36H67N13O11S3 953.4245 NA PeJP NA NA +PJ097981 TEMMMRR C36H67N13O11S3 953.4246 NA PeJP NA NA +PJ097982 GPCNDHRR C36H59N17O12S 953.425 NA PeJP NA NA +PJ097983 TCCKKWW C44H63N11O9S2 953.4252 NA PeJP NA NA +PJ097984 GDHHFRW C44H55N15O10 953.4257 NA PeJP NA NA +PJ097985 VMFWWW C52H59N9O7S 953.4259 NA PeJP NA NA +PJ097986 SSSTQKMW C40H63N11O14S 953.4277 NA PeJP NA NA +PJ097987 PTTTYWW C48H59N9O12 953.4283 NA PeJP NA NA +PJ097988 GTLEYWW C48H59N9O12 953.4284 NA PeJP NA NA +PJ097989 SLMMMRW C41H67N11O9S3 953.4286 NA PeJP NA NA +PJ097990 GCNRRYW C41H59N15O10S 953.429 NA PeJP NA NA +PJ097991 GGGCRRYW C41H59N15O10S 953.4291 NA PeJP NA NA +PJ097992 AAHHFWW C49H55N13O8 953.4297 NA PeJP NA NA +PJ097993 SSSSSDKKE C36H63N11O19 953.4302 NA PeJP NA NA +PJ097994 SSTLEMMR C37H67N11O14S2 953.4311 NA PeJP NA NA +PJ097995 GSSNDRRY C37H59N15O15 953.4315 NA PeJP NA NA +PJ097996 GGGSSDRRY C37H59N15O15 953.4316 NA PeJP NA NA +PJ097997 PTKEMYW C45H63N9O12S 953.4317 NA PeJP NA NA +PJ097998 AALMMMMR C38H71N11O9S4 953.432 NA PeJP NA NA +PJ097999 LFYYYW C53H59N7O10 953.4324 NA PeJP NA NA +PJ098000 GSSHHHHR C38H55N19O11 953.4329 NA PeJP NA NA +PJ098001 PCKHHFW C46H59N13O8S 953.4331 NA PeJP NA NA +PJ098002 KKEEEEY C41H63N9O17 953.4342 NA PeJP NA NA +PJ098003 GSSSSSMRR C34H63N15O15S 953.4349 NA PeJP NA NA +PJ098004 SSSLLMMW C42H67N9O12S2 953.4351 NA PeJP NA NA +PJ098005 SSQQRYW C42H59N13O13 953.4356 NA PeJP NA NA +PJ098006 ALMFFYY C50H63N7O10S 953.4357 NA PeJP NA NA +PJ098007 GTCCKMRR C35H67N15O10S3 953.4358 NA PeJP NA NA +PJ098008 PPMMHRW C43H63N13O8S2 953.4364 NA PeJP NA NA +PJ098009 SSSSTLLEM C38H67N9O17S 953.4376 NA PeJP NA NA +PJ098010 ATLKEMMM C39H71N9O12S3 953.4385 NA PeJP NA NA +PJ098011 SSSTCKRW C39H63N13O13S 953.4389 NA PeJP NA NA +PJ098012 GGGGKEMRY C39H63N13O13S 953.439 NA PeJP NA NA +PJ098013 GSQKYWW C47H59N11O11 953.4396 NA PeJP NA NA +PJ098014 CCKKMRW C40H67N13O8S3 953.4398 NA PeJP NA NA +PJ098015 APPCHHHR C40H59N17O9S 953.4403 NA PeJP NA NA +PJ098016 SSSSSSKER C35H63N13O18 953.4414 NA PeJP NA NA +PJ098017 SSSQKMMR C36H67N13O13S2 953.4423 NA PeJP NA NA +PJ098018 NNEEHRR C36H59N17O14 953.4428 NA PeJP NA NA +PJ098019 AQQKMYW C44H63N11O11S 953.4429 NA PeJP NA NA +PJ098020 GLEMRYW C44H63N11O11S 953.443 NA PeJP NA NA +PJ098021 VMMMMRR C37H71N13O8S4 953.4432 NA PeJP NA NA +PJ098022 TLYWWW C52H59N9O9 953.4436 NA PeJP NA NA +PJ098023 CCNFRRR C37H63N17O9S2 953.4437 NA PeJP NA NA +PJ098024 SSSSSSVKW C40H63N11O16 953.4454 NA PeJP NA NA +PJ098025 GSSSTTTKW C40H63N11O16 953.4455 NA PeJP NA NA +PJ098026 GSSKKMMW C41H67N11O11S2 953.4463 NA PeJP NA NA +PJ098027 GGGGGLKMMF C41H67N11O11S2 953.4464 NA PeJP NA NA +PJ098028 AQQEHRW C41H59N15O12 953.4468 NA PeJP NA NA +PJ098029 GVLMYWW C49H63N9O9S 953.447 NA PeJP NA NA +MJ098540 Liposidomycin; Liposidomycin A-I, Desulfo C44H67N5O18 953.44811 NA MeJP NA NA +PJ098030 LHHHHHH C42H55N19O8 953.4482 NA PeJP NA NA +PJ098031 GSSSTKKEM C37H67N11O16S 953.4488 NA PeJP NA NA +PJ098032 SLKEEYW C45H63N9O14 953.4495 NA PeJP NA NA +PJ098033 ATTLMMMR C38H71N11O11S3 953.4497 NA PeJP NA NA +PJ098034 SNQMRRY C38H63N15O12S 953.4502 NA PeJP NA NA +PJ098035 VLQMMFW C46H67N9O9S2 953.4503 NA PeJP NA NA +PJ098036 PVKMMYW C46H67N9O9S2 953.4504 NA PeJP NA NA +PJ098037 SPNKHWW C46H59N13O10 953.4508 NA PeJP NA NA +PJ098038 CKHHHHR C39H59N19O8S 953.4515 NA PeJP NA NA +PJ098039 SSSSSSTRR C34H63N15O17 953.4527 NA PeJP NA NA +PJ098040 TTTTTLMW C42H67N9O14S 953.4528 NA PeJP NA NA +PJ098041 AALKEEMY C42H67N9O14S 953.4529 NA PeJP NA NA +PJ098042 GLLYYYY C50H63N7O12 953.4535 NA PeJP NA NA +PJ098043 GPLKMMMF C43H71N9O9S3 953.4537 NA PeJP NA NA +PJ098044 GSNNNHRR C35H59N19O13 953.454 NA PeJP NA NA +PJ098045 GNKMRYW C43H63N13O10S 953.4542 NA PeJP NA NA +PJ098046 PFRYWW C51H59N11O8 953.4548 NA PeJP NA NA +PJ098047 STTTTTTLE C38H67N9O19 953.4553 NA PeJP NA NA +PJ098048 TTTLKEMM C39H71N9O14S2 953.4562 NA PeJP NA NA +PJ098049 TTEERRY C39H63N13O15 953.4567 NA PeJP NA NA +PJ098050 GLLKMMMM C40H75N9O9S4 953.4571 NA PeJP NA NA +PJ098051 PTMMRRY C40H67N13O10S2 953.4576 NA PeJP NA NA +PJ098052 GNEHRRW C40H59N17O11 953.458 NA PeJP NA NA +PJ098053 GGGEHRRW C40H59N17O11 953.4581 NA PeJP NA NA +PJ098054 LMRYWW C48H63N11O8S 953.4582 NA PeJP NA NA +PJ098055 GSSSTTKMR C36H67N13O15S 953.4601 NA PeJP NA NA +PJ098056 STLERYW C44H63N11O13 953.4607 NA PeJP NA NA +PJ098057 GTCKKMMR C37H71N13O10S3 953.4609 NA PeJP NA NA +PJ098058 GGCCCKKKK C37H71N13O10S3 953.461 NA PeJP NA NA +PJ098059 SCNRRRY C37H63N17O11S 953.4614 NA PeJP NA NA +PJ098060 ALMMFRW C45H67N11O8S2 953.4616 NA PeJP NA NA +PJ098061 AAQHRWW C45H59N15O9 953.4621 NA PeJP NA NA +PJ098062 SSSTKKMW C41H67N11O13S 953.4641 NA PeJP NA NA +PJ098063 SSLLYWW C49H63N9O11 953.4647 NA PeJP NA NA +PJ098064 GGVLEFFW C49H63N9O11 953.4648 NA PeJP NA NA +PJ098065 CKKKMMW C42H71N11O8S3 953.465 NA PeJP NA NA +PJ098066 PCQKHRW C42H63N15O9S 953.4654 NA PeJP NA NA +PJ098067 SSSSTTKKE C37H67N11O18 953.4666 NA PeJP NA NA +PJ098068 STTQKKMM C38H71N11O13S2 953.4674 NA PeJP NA NA +PJ098069 TTTTLMMR C38H71N11O13S2 953.4675 NA PeJP NA NA +PJ098070 GSSTQRRY C38H63N15O14 953.4679 NA PeJP NA NA +PJ098071 GGAAKEEHR C38H63N15O14 953.468 NA PeJP NA NA +PJ098072 VVKEMYW C46H67N9O11S 953.4681 NA PeJP NA NA +PJ098073 ALFFFFY C54H63N7O9 953.4688 NA PeJP NA NA +PJ098074 PDHHHRR C39H59N19O10 953.4693 NA PeJP NA NA +PJ098075 ATTLKEEY C42H67N9O16 953.4706 NA PeJP NA NA +PJ098076 APTLKMMY C43H71N9O11S2 953.4715 NA PeJP NA NA +PJ098077 SSQKRYW C43H63N13O12 953.4719 NA PeJP NA NA +PJ098078 GGSTKRYW C43H63N13O12 953.472 NA PeJP NA NA +PJ098079 NHRRWW C44H59N17O8 953.4733 NA PeJP NA NA +PJ098080 SSTTTTLLM C39H71N9O16S 953.474 NA PeJP NA NA +PJ098081 STLLKMMM C40H75N9O11S3 953.4749 NA PeJP NA NA +PJ098082 SLEMRRY C40H67N13O12S 953.4753 NA PeJP NA NA +PJ098083 GGGGGGVLLMH C40H67N13O12S 953.4754 NA PeJP NA NA +PJ098084 GSKKYWW C48H63N11O10 953.476 NA PeJP NA NA +PJ098085 AMHHFRR C41H63N17O8S 953.4767 NA PeJP NA NA +PJ098086 SSSSTTTKR C36H67N13O17 953.4778 NA PeJP NA NA +PJ098087 SSSKKMMR C37H71N13O12S2 953.4787 NA PeJP NA NA +PJ098088 NDKEHRR C37H63N17O13 953.4792 NA PeJP NA NA +PJ098089 SVLMRYW C45H67N11O10S 953.4793 NA PeJP NA NA +PJ098090 GAAKKMYW C45H67N11O10S 953.4794 NA PeJP NA NA +PJ098091 GVLFFWW C53H63N9O8 953.48 NA PeJP NA NA +PJ098092 SSSLLERY C41H67N11O15 953.4818 NA PeJP NA NA +PJ098093 GSDKKKEY C41H67N11O15 953.4819 NA PeJP NA NA +PJ098094 LLQMMRY C42H71N11O10S2 953.4827 NA PeJP NA NA +PJ098095 PPNERRW C42H63N15O11 953.4832 NA PeJP NA NA +PJ098096 PVKMFFW C50H67N9O8S 953.4834 NA PeJP NA NA +PJ098097 SSSSSLKKM C38H71N11O15S 953.4852 NA PeJP NA NA +PJ098098 GTTTLLYW C46H67N9O13 953.4859 NA PeJP NA NA +PJ098099 GTKKKMMM C39H75N11O10S3 953.4861 NA PeJP NA NA +PJ098100 SNKMRRY C39H67N15O11S 953.4866 NA PeJP NA NA +PJ098101 VLKMMFW C47H71N9O8S2 953.4867 NA PeJP NA NA +PJ098102 PPVNRWW C47H63N13O9 953.4872 NA PeJP NA NA +PJ098103 GTLLKEMY C43H71N9O13S 953.4892 NA PeJP NA NA +PJ098104 GPPPTLLEM C43H71N9O13S 953.4893 NA PeJP NA NA +PJ098105 SNEHRRR C36H63N19O12 953.4904 NA PeJP NA NA +PJ098106 ACKKRYW C44H67N13O9S 953.4906 NA PeJP NA NA +PJ098107 LFFRWW C52H63N11O7 953.4912 NA PeJP NA NA +PJ098108 GSSKKERY C40H67N13O14 953.4931 NA PeJP NA NA +PJ098109 NKKMMFR C41H71N13O9S2 953.4939 NA PeJP NA NA +PJ098110 VVMMRRY C41H71N13O9S2 953.494 NA PeJP NA NA +PJ098111 GDKHRRW C41H63N17O10 953.4944 NA PeJP NA NA +PJ098112 SDKKKYW C45H67N11O12 953.4971 NA PeJP NA NA +PJ098113 VQQMHRR C38H67N17O10S 953.4978 NA PeJP NA NA +PJ098114 GPPRRWW C46H63N15O8 953.4985 NA PeJP NA NA +PJ098115 GTTLLMRY C42H71N11O12S 953.5005 NA PeJP NA NA +PJ098116 PVVKYYW C50H67N9O10 953.5011 NA PeJP NA NA +PJ098117 PCKKHRW C43H67N15O8S 953.5018 NA PeJP NA NA +PJ098118 SSTTTTTKK C38H71N11O17 953.503 NA PeJP NA NA +PJ098119 STTKKKMM C39H75N11O12S2 953.5038 NA PeJP NA NA +PJ098120 GSSTKRRY C39H67N15O13 953.5043 NA PeJP NA NA +PJ098121 GGGGGGGGPLLR C39H67N15O13 953.5044 NA PeJP NA NA +PJ098122 TLLKMYW C47H71N9O10S 953.5045 NA PeJP NA NA +PJ098123 GSHRRRW C40H63N19O9 953.5057 NA PeJP NA NA +PJ098124 STTLLKEY C43H71N9O15 953.507 NA PeJP NA NA +PJ098125 GVLLKMMY C44H75N9O10S2 953.5079 NA PeJP NA NA +PJ098126 SSKKRYW C44H67N13O11 953.5083 NA PeJP NA NA +PJ098127 AAPPKERW C44H67N13O11 953.5084 NA PeJP NA NA +PJ098128 AQMHRRR C37H67N19O9S 953.509 NA PeJP NA NA +PJ098129 TQKKMRY C41H71N13O11S 953.5117 NA PeJP NA NA +PJ098130 SLLLHWW C49H67N11O9 953.5124 NA PeJP NA NA +HMDB06968 CDP-DG(16:0/16:0) C44H81N3O15P2 953.514282 NA HMDB2010 NA NA +PJ098131 TQKEHRR C38H67N17O12 953.5155 NA PeJP NA NA +PJ098132 GSPPERRR C38H67N17O12 953.5156 NA PeJP NA NA +PJ098133 AKKKMYW C46H71N11O9S 953.5157 NA PeJP NA NA +PJ098134 STTTLLRY C42H71N11O14 953.5182 NA PeJP NA NA +PJ098135 GAPPLDKKE C42H71N11O14 953.5183 NA PeJP NA NA +PJ098136 LLKMMRY C43H75N11O9S2 953.5191 NA PeJP NA NA +PJ098137 PPDKRRW C43H67N15O10 953.5196 NA PeJP NA NA +PJ098138 ACHRRRR C36H67N21O8S 953.5203 NA PeJP NA NA +PJ098139 ASPLLKYY C47H71N9O12 953.5222 NA PeJP NA NA +PJ098140 SPPLLLEW C47H71N9O12 953.5223 NA PeJP NA NA +PJ098141 TCKKRRY C40H71N15O10S 953.5229 NA PeJP NA NA +PJ098142 LLEMHRR C40H71N15O10S 953.523 NA PeJP NA NA +PJ098143 GLKKHWW C48H67N13O8 953.5236 NA PeJP NA NA +PJ098144 SSLLLKMY C44H75N9O12S 953.5256 NA PeJP NA NA +PJ098145 SDKHRRR C37H67N19O11 953.5268 NA PeJP NA NA +PJ098146 VLLMHRW C45H71N13O8S 953.527 NA PeJP NA NA +PJ098147 GTTTKKRY C41H71N13O13 953.5295 NA PeJP NA NA +PJ098148 SPPRRRW C42H67N17O9 953.5308 NA PeJP NA NA +PJ098149 TTKKKYW C46H71N11O11 953.5335 NA PeJP NA NA +PJ098150 AAPPMRRR C39H71N17O9S 953.5342 NA PeJP NA NA +MJ098541 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-fucopyranosyl-(1?6)-2-acetamido-2-deoxy-?-D-glucopyranoside] C49H79NO17 953.5348 NA MeJP NA NA +PJ098151 KKKKEMY C43H75N11O11S 953.5369 NA PeJP NA NA +PJ098152 VVLKFYW C51H71N9O9 953.5375 NA PeJP NA NA +PJ098153 SSHRRRR C36H67N21O10 953.538 NA PeJP NA NA +PJ098154 APPTKERR C40H71N15O12 953.5407 NA PeJP NA NA +PJ098155 PPVVLLMW C48H75N9O9S 953.5409 NA PeJP NA NA +PJ098156 VLHHHRR C41H67N19O8 953.542 NA PeJP NA NA +PJ098157 PLLLLQEE C44H75N9O14 953.5434 NA PeJP NA NA +PJ098158 GPPTLKRW C45H71N13O10 953.5447 NA PeJP NA NA +PJ098159 AKMHRRR C38H71N19O8S 953.5454 NA PeJP NA NA +PJ098160 TKKKMRY C42H75N13O10S 953.5481 NA PeJP NA NA +PJ098161 AKKKFFW C50H71N11O8 953.5487 NA PeJP NA NA +PJ098162 PPLKKWW C50H71N11O8 953.5488 NA PeJP NA NA +PJ098163 PLQERRR C39H71N17O11 953.5519 NA PeJP NA NA +PJ098164 GAPLERRR C39H71N17O11 953.552 NA PeJP NA NA +PJ098165 LLKMFFR C47H75N11O8S 953.5521 NA PeJP NA NA +3688 NA VRRQIVEYKHRLTLP 953.5525 MH2+ Inhouse_peptide NA peptide +PJ098166 SSTLKKKY C43H75N11O13 953.5546 NA PeJP NA NA +PJ098167 PVLQRRW C44H71N15O9 953.556 NA PeJP NA NA +PJ098168 APLLLLEW C48H75N9O11 953.5586 NA PeJP NA NA +PJ098169 PVVVLLEW C48H75N9O11 953.5587 NA PeJP NA NA +PJ098170 GPPLKMRR C41H75N15O9S 953.5593 NA PeJP NA NA +PJ098171 GPPTLLLLM C45H79N9O11S 953.562 NA PeJP NA NA +PJ098172 PVDRRRR C38H71N19O10 953.5632 NA PeJP NA NA +PJ098173 TTTLLLHR C42H75N13O12 953.5659 NA PeJP NA NA +PJ098174 APLRRRW C43H71N17O8 953.5672 NA PeJP NA NA +PJ098175 SPPVLKKW C47H75N11O10 953.5699 NA PeJP NA NA +PJ098176 VKKMHRR C40H75N17O8S 953.5706 NA PeJP NA NA +PJ098177 SLLLLKMH C44H79N11O10S 953.5733 NA PeJP NA NA +MJ098542 Cyclolinopeptide X C52H75N9O8 953.57386 NA MeJP NA NA +PJ098178 GPVLKERR C41H75N15O11 953.5771 NA PeJP NA NA +PJ098179 PLLLLKEE C45H79N9O13 953.5798 NA PeJP NA NA +PJ098180 AAPLLKRW C46H75N13O9 953.5811 NA PeJP NA NA +PJ098181 PPVVKKMR C43H79N13O9S 953.5845 NA PeJP NA NA +PJ098182 PLKERRR C40H75N17O10 953.5883 NA PeJP NA NA +PJ098183 PTLLLLER C44H79N11O12 953.591 NA PeJP NA NA +PJ098184 LLLHFRR C45H75N15O8 953.5923 NA PeJP NA NA +PJ098185 PVLKRRW C45H75N15O8 953.5924 NA PeJP NA NA +PJ098186 SPLLLLLW C49H79N9O10 953.595 NA PeJP NA NA +PJ098187 AAPLLLLLM C46H83N9O10S 953.5984 NA PeJP NA NA +PJ098188 PTLRRRR C39H75N19O9 953.5996 NA PeJP NA NA +PJ098189 APLLKKER C43H79N13O11 953.6022 NA PeJP NA NA +PJ098190 PVVVKKER C43H79N13O11 953.6023 NA PeJP NA NA +PJ098191 GPLLLKKW C48H79N11O9 953.6063 NA PeJP NA NA +PJ098192 PVLLLLMR C45H83N11O9S 953.6096 NA PeJP NA NA +PJ098193 APTLLKRR C42H79N15O10 953.6135 NA PeJP NA NA +PJ098194 LLLLLLQE C46H83N9O12 953.6162 NA PeJP NA NA +PJ098195 LLLQRRR C41H79N17O9 953.6247 NA PeJP NA NA +PJ098196 VVLLLLER C45H83N11O11 953.6274 NA PeJP NA NA +PJ098197 ALLLLLLW C50H83N9O9 953.6314 NA PeJP NA NA +PJ098198 VVLRRRR C40H79N19O8 953.6359 NA PeJP NA NA +PJ098199 SPLLLKKR C44H83N13O10 953.6386 NA PeJP NA NA +PJ098200 GVLLLKRR C43H83N15O9 953.6499 NA PeJP NA NA +PJ098201 GSLLLLLLL C47H87N9O11 953.6525 NA PeJP NA NA +PJ098202 LLLLLLKE C47H87N9O11 953.6526 NA PeJP NA NA +MJ098543 Guanidolide A C51H91N3O13 953.65519 NA MeJP NA NA +PJ098203 LLLKRRR C42H83N17O8 953.6611 NA PeJP NA NA +PJ098204 TLLLLLLR C46H87N11O10 953.6638 NA PeJP NA NA +PJ098205 ALLLLKKR C45H87N13O9 953.675 NA PeJP NA NA +HMDB12237 Inositol-P-ceramide C50H100NO13P 953.693237 NA HMDB2010 NA NA +PJ098206 VLLLLKKK C47H91N11O9 953.7002 NA PeJP NA NA +HMDB08816 PC(24:1(15Z)/24:1(15Z)) C56H108NO8P 953.78125 NA HMDB2010 NA NA +C10214 Chebulagic acid C41H30O27 954.0974 NA KEGG NA NA +C10232 Isoterchebin C41H30O27 954.0974 NA KEGG NA NA +MJ098544 Chebulagic acid C41H30O27 954.097445 NA MeJP NA NA +MJ098545 Geraniinic acid A C41H30O27 954.097445 NA MeJP NA NA +MJ098546 Isorugosin B C41H30O27 954.097445 NA MeJP NA NA +MJ098547 Isoterchebin C41H30O27 954.097445 NA MeJP NA NA +MJ098548 Remurin A; 1-O-Degalloyl C41H30O27 954.097445 NA MeJP NA NA +MJ098549 Rugosin A; 1-O-Degalloyl C41H30O27 954.097445 NA MeJP NA NA +MJ098550 Supinanin C41H30O27 954.097445 NA MeJP NA NA +MJ098551 Tamarixellagic acid C41H30O27 954.097445 NA MeJP NA NA +MJ098552 Tanarinin C41H30O27 954.097445 NA MeJP NA NA +MJ098553 Terchebin C41H30O27 954.097445 NA MeJP NA NA +PJ098207 SCCCCCCCQ C29H50N10O12S7 954.1655 NA PeJP NA NA +PJ098208 GSSSCCCCCC C29H50N10O14S6 954.1833 NA PeJP NA NA +PJ098209 GCCCCCCNF C33H50N10O11S6 954.1985 NA PeJP NA NA +PJ098210 SCCCCCCCK C30H54N10O11S7 954.2019 NA PeJP NA NA +PJ098211 CCCCDDMY C34H50N8O14S5 954.205 NA PeJP NA NA +PJ098212 CCCCMMMM C32H58N8O9S8 954.2093 NA PeJP NA NA +PJ098213 GSCCCCCNY C33H50N10O13S5 954.2163 NA PeJP NA NA +PJ098214 CCCCDMMF C35H54N8O11S6 954.2237 NA PeJP NA NA +PJ098215 CCCDDEMH C33H50N10O15S4 954.234 NA PeJP NA NA +PJ098216 CCCCDDFF C38H50N8O13S4 954.2381 NA PeJP NA NA +PJ098217 DDDDDDDM C33H46N8O23S 954.2397 NA PeJP NA NA +PJ098218 SCCCDMMY C35H54N8O13S5 954.2414 NA PeJP NA NA +PJ098219 CCCCCHHF C36H50N12O9S5 954.2428 NA PeJP NA NA +PJ098220 GSCCCCNEH C32H50N12O14S4 954.2453 NA PeJP NA NA +PJ098221 GSCNDDDDD C32H46N10O22S 954.2509 NA PeJP NA NA +PJ098222 GPCCCNDDE C33H50N10O17S3 954.2518 NA PeJP NA NA +PJ098223 GCCCDEYY C38H50N8O15S3 954.2558 NA PeJP NA NA +PJ098224 ACCCMMMY C36H58N8O10S6 954.2601 NA PeJP NA NA +PJ098225 SCCCCNHW C36H50N12O11S4 954.2605 NA PeJP NA NA +PJ098226 SSSCCCNDH C32H50N12O16S3 954.263 NA PeJP NA NA +PJ098227 CCCNNMMH C33H54N12O11S5 954.2639 NA PeJP NA NA +PJ098228 PCCCNDDW C37H50N10O14S3 954.2671 NA PeJP NA NA +PJ098229 CNNDDDEM C33H50N10O19S2 954.2696 NA PeJP NA NA +PJ098230 SCCDEMMH C34H54N10O14S4 954.2704 NA PeJP NA NA +PJ098231 CCCDYYW C42H50N8O12S3 954.2711 NA PeJP NA NA +PJ098232 PCCCMMMH C35H58N10O9S6 954.2713 NA PeJP NA NA +PJ098233 SSCCDDYY C38H50N8O17S2 954.2736 NA PeJP NA NA +PJ098234 GCCCNNNNN C31H50N14O15S3 954.2743 NA PeJP NA NA +PJ098235 PTCCCCYY C39H54N8O12S4 954.2744 NA PeJP NA NA +PJ098236 CCCCCQHR C32H54N14O10S5 954.2751 NA PeJP NA NA +PJ098237 SDDDDEEM C34H50N8O22S 954.2761 NA PeJP NA NA +PJ098238 PCDDDEMM C35H54N8O17S3 954.277 NA PeJP NA NA +PJ098239 SSCCMMMY C36H58N8O12S5 954.2778 NA PeJP NA NA +PJ098240 CCCNNDHF C36H50N12O13S3 954.2783 NA PeJP NA NA +MJ098554 Sucrose; 1',3',6'-Tris-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 2,6-di-Ac C46H50O22 954.279373 NA MeJP NA NA +PJ098241 CCNDDDDR C32H50N12O18S2 954.2808 NA PeJP NA NA +PJ098242 GTTCCCCQH C33H54N12O13S4 954.2816 NA PeJP NA NA +PJ098243 GSSCCCQMH C33H54N12O13S4 954.2817 NA PeJP NA NA +PJ098244 GCNDDDMW C37H50N10O16S2 954.2848 NA PeJP NA NA +PJ098245 GSPPCCCCW C38H54N10O11S4 954.2857 NA PeJP NA NA +PJ098246 GSSNDDDDM C33H50N10O21S 954.2873 NA PeJP NA NA +PJ098247 GSPCCNDEM C34H54N10O16S3 954.2882 NA PeJP NA NA +PJ098248 APPCCCCQM C35H58N10O11S5 954.289 NA PeJP NA NA +PJ098249 GCDMMMMH C35H58N10O11S5 954.2891 NA PeJP NA NA +PJ098250 SCCCEHHH C35H50N14O12S3 954.2895 NA PeJP NA NA +PJ098251 CCCMFYW C43H54N8O9S4 954.2897 NA PeJP NA NA +PJ098252 PCDDDDEF C38H50N8O19S 954.2913 NA PeJP NA NA +PJ098253 GSCCEMYY C39H54N8O14S3 954.2922 NA PeJP NA NA +PJ098254 GSSCCCCHR C32H54N14O12S4 954.2929 NA PeJP NA NA +PJ098255 ACCCMMFF C40H58N8O9S5 954.2931 NA PeJP NA NA +C11543 Cobalt-dihydro-precorrin 6 C44H55CoN4O16 954.2945 NA KEGG NA NA +PJ098256 GDDEEEMM C35H54N8O19S2 954.2947 NA PeJP NA NA +PJ098257 SDDDDDHH C35H46N12O20 954.2952 NA PeJP NA NA +PJ098258 SCCNNNDW C36H50N12O15S2 954.296 NA PeJP NA NA +PJ098259 GGGGSCCNDW C36H50N12O15S2 954.2961 NA PeJP NA NA +PJ098260 SSSCNNNDD C32H50N12O20S 954.2985 NA PeJP NA NA +PJ098261 GGGGSSSCNDD C32H50N12O20S 954.2986 NA PeJP NA NA +PJ098262 GSPCCCDDR C33H54N12O15S3 954.2994 NA PeJP NA NA +PJ098263 CCNDEWW C41H50N10O13S2 954.3001 NA PeJP NA NA +PJ098264 APPCCCCCR C34H58N12O10S5 954.3003 NA PeJP NA NA +MJ098555 Purpureaside C; 2,2',3',4'-Tetra-Ac C43H54O24 954.300502 NA MeJP NA NA +PJ098265 SSCNDDEW C37H50N10O18S 954.3026 NA PeJP NA NA +PJ098266 SPCCNDMW C38H54N10O13S3 954.3034 NA PeJP NA NA +PJ098267 GGGPPCCCDF C38H54N10O13S3 954.3035 NA PeJP NA NA +PJ098268 SSSSNDDDE C33H50N10O23 954.3051 NA PeJP NA NA +PJ098269 SNNDDEMM C34H54N10O18S2 954.3059 NA PeJP NA NA +PJ098270 GGGGSDDEMM C34H54N10O18S2 954.306 NA PeJP NA NA +PJ098271 CNDDYYY C42H50N8O16S 954.3066 NA PeJP NA NA +PJ098272 SSCEMMMH C35H58N10O13S4 954.3068 NA PeJP NA NA +PJ098273 SCCMYYW C43H54N8O11S3 954.3074 NA PeJP NA NA +PJ098274 GPCCCFYY C43H54N8O11S3 954.3075 NA PeJP NA NA +PJ098275 GCCMMHHH C36H54N14O9S4 954.3082 NA PeJP NA NA +PJ098276 SPDDDDEY C38H50N8O21 954.3091 NA PeJP NA NA +PJ098277 SSSCDMYY C39H54N8O16S2 954.3099 NA PeJP NA NA +PJ098278 DDEEMMW C39H54N8O16S2 954.31 NA PeJP NA NA +PJ098279 CCCNNNER C32H54N14O14S3 954.3106 NA PeJP NA NA +PJ098280 GGCCCNNER C32H54N14O14S3 954.3107 NA PeJP NA NA +PJ098281 CNMMMYY C40H58N8O11S4 954.3108 NA PeJP NA NA +PJ098282 CCCCCKHR C33H58N14O9S5 954.3115 NA PeJP NA NA +PJ098283 SSDEEEEM C35H54N8O21S 954.3125 NA PeJP NA NA +PJ098284 SPDDEMMM C36H58N8O16S3 954.3133 NA PeJP NA NA +PJ098285 CNNNNDDF C36H50N12O17S 954.3138 NA PeJP NA NA +PJ098286 PPCDMMMM C37H62N8O11S5 954.3142 NA PeJP NA NA +PJ098287 GCCNNQMW C37H54N12O12S3 954.3147 NA PeJP NA NA +PJ098288 GCCDWWW C45H50N10O10S2 954.3153 NA PeJP NA NA +PJ098289 SCNDDDMR C33H54N12O17S2 954.3172 NA PeJP NA NA +PJ098290 GSSCDDWW C41H50N10O15S 954.3178 NA PeJP NA NA +PJ098291 PCCCNEMR C34H58N12O12S4 954.318 NA PeJP NA NA +PJ098292 GGPCCCEMR C34H58N12O12S4 954.3181 NA PeJP NA NA +PJ098293 CCNNNNHH C34H50N16O13S2 954.3185 NA PeJP NA NA +PJ098294 GPTCCCWW C42H54N10O10S3 954.3187 NA PeJP NA NA +PJ098295 GSSSSDDDW C37H50N10O20 954.3203 NA PeJP NA NA +PJ098296 GSNDDMMW C38H54N10O15S2 954.3212 NA PeJP NA NA +PJ098297 GPCCQMMW C39H58N10O10S4 954.3221 NA PeJP NA NA +PJ098298 GCCDHHHF C39H50N14O11S2 954.3225 NA PeJP NA NA +PJ098299 CCCFFFW C47H54N8O8S3 954.3227 NA PeJP NA NA +PJ098300 GSSSNDEEM C34H54N10O20S 954.3237 NA PeJP NA NA +PJ098301 DDDEEFW C42H50N8O18 954.3243 NA PeJP NA NA +PJ098302 GNNEEMMM C35H58N10O15S3 954.3246 NA PeJP NA NA +PJ098303 SCNNDEHH C35H50N14O16S 954.325 NA PeJP NA NA +PJ098304 GGGGSCDEHH C35H50N14O16S 954.3251 NA PeJP NA NA +PJ098305 GSPCCYYY C43H54N8O13S2 954.3252 NA PeJP NA NA +PJ098306 GSMMMMMH C36H62N10O10S5 954.3254 NA PeJP NA NA +PJ098307 GCCCNNRW C36H54N14O11S3 954.3259 NA PeJP NA NA +PJ098308 GPDDEEMY C39H54N8O18S 954.3277 NA PeJP NA NA +PJ098309 GSSCCNNDR C32H54N14O16S2 954.3284 NA PeJP NA NA +PJ098310 GSTCMMYY C40H58N8O13S3 954.3286 NA PeJP NA NA +PJ098311 DDDMHHW C40H50N12O14S 954.3291 NA PeJP NA NA +PJ098312 PCCCCDRR C33H58N14O11S4 954.3293 NA PeJP NA NA +PJ098313 GTEEEEMM C36H58N8O18S2 954.3311 NA PeJP NA NA +PJ098314 SNNNNDDY C36H50N12O19 954.3315 NA PeJP NA NA +PJ098315 GGSNNNDDY C36H50N12O19 954.3316 NA PeJP NA NA +PJ098316 GPEEMMMM C37H62N8O13S4 954.332 NA PeJP NA NA +PJ098317 GSCCDERW C37H54N12O14S2 954.3324 NA PeJP NA NA +PJ098318 GGGGGGGAPCCY C37H54N12O14S2 954.3325 NA PeJP NA NA +PJ098319 GPCCCMRW C38H58N12O9S4 954.3333 NA PeJP NA NA +PJ098320 GSSSCDDER C33H54N12O19S 954.3349 NA PeJP NA NA +PJ098321 NNDDEYW C41H50N10O17 954.3356 NA PeJP NA NA +PJ098322 GCNDEMMR C34H58N12O14S3 954.3358 NA PeJP NA NA +PJ098323 SCNEMWW C42H54N10O12S2 954.3364 NA PeJP NA NA +PJ098324 GGSCEMWW C42H54N10O12S2 954.3365 NA PeJP NA NA +PJ098325 CCCCKKMH C35H62N12O9S5 954.3367 NA PeJP NA NA +PJ098326 SSSNDEMW C38H54N10O17S 954.3389 NA PeJP NA NA +PJ098327 GGSSSDEMW C38H54N10O17S 954.339 NA PeJP NA NA +PJ098328 NNEMMMW C39H58N10O12S3 954.3398 NA PeJP NA NA +PJ098329 GSCNDHHW C39H50N14O13S 954.3403 NA PeJP NA NA +PJ098330 ACCFYYW C47H54N8O10S2 954.3405 NA PeJP NA NA +PJ098331 SSSSSNEEE C34H54N10O22 954.3414 NA PeJP NA NA +PJ098332 GGSSSSSEEE C34H54N10O22 954.3415 NA PeJP NA NA +PJ098333 SSNQEEMM C35H58N10O17S2 954.3423 NA PeJP NA NA +PJ098334 GSSSNDDHH C35H50N14O18 954.3428 NA PeJP NA NA +PJ098335 PDDEMYW C43H54N8O15S 954.343 NA PeJP NA NA +PJ098336 SSTMMMMH C36H62N10O12S4 954.3432 NA PeJP NA NA +PJ098337 GNNDMMHH C36H54N14O13S2 954.3437 NA PeJP NA NA +PJ098338 CNMMFFY C44H58N8O10S3 954.3438 NA PeJP NA NA +PJ098339 QEEEEEY C39H54N8O20 954.3455 NA PeJP NA NA +PJ098340 TEEEMMW C40H58N8O15S2 954.3463 NA PeJP NA NA +PJ098341 GPDEEMMF C40H58N8O15S2 954.3464 NA PeJP NA NA +PJ098342 GPNDDDHW C40H50N12O16 954.3468 NA PeJP NA NA +PJ098343 GCCDDMRR C33H58N14O13S3 954.347 NA PeJP NA NA +PJ098344 GGGGGGTCCMR C33H58N14O13S3 954.3471 NA PeJP NA NA +PJ098345 PEMMMMW C41H62N8O10S4 954.3472 NA PeJP NA NA +PJ098346 SCCDRWW C41H54N12O11S2 954.3477 NA PeJP NA NA +PJ098347 STTEEEEM C36H58N8O20S 954.3488 NA PeJP NA NA +PJ098348 GVEEEMMM C37H62N8O15S3 954.3497 NA PeJP NA NA +PJ098349 SSSCDDRW C37H54N12O16S 954.3502 NA PeJP NA NA +PJ098350 SPPMMMMM C38H66N8O10S5 954.3506 NA PeJP NA NA +PJ098351 GNDDYWW C45H50N10O14 954.3508 NA PeJP NA NA +PJ098352 CNDMMRW C38H58N12O11S3 954.351 NA PeJP NA NA +PJ098353 GGCDMMRW C38H58N12O11S3 954.3511 NA PeJP NA NA +PJ098354 GSCMWWW C46H54N10O9S2 954.3517 NA PeJP NA NA +PJ098355 SSSSSDDDR C33H54N12O21 954.3527 NA PeJP NA NA +PJ098356 GSSSNNQMM C34H58N12O16S2 954.3535 NA PeJP NA NA +PJ098357 SSNDDMMR C34H58N12O16S2 954.3536 NA PeJP NA NA +PJ098358 NNNNNNDH C34H50N16O17 954.354 NA PeJP NA NA +PJ098359 GGGGGGGGNNDH C34H50N16O17 954.3541 NA PeJP NA NA +PJ098360 GSSSDMWW C42H54N10O14S 954.3542 NA PeJP NA NA +PJ098361 SPCCQMMR C35H62N12O11S4 954.3544 NA PeJP NA NA +PJ098362 GCCNEHHR C35H54N16O12S2 954.3549 NA PeJP NA NA +PJ098363 GNMMMWW C43H58N10O9S3 954.3551 NA PeJP NA NA +PJ098364 GSSSSSEEW C38H54N10O19 954.3567 NA PeJP NA NA +PJ098365 GSSQEMMW C39H58N10O14S2 954.3576 NA PeJP NA NA +PJ098366 GNNDDHHF C39H50N14O15 954.3581 NA PeJP NA NA +PJ098367 GTCYYYW C47H54N8O12S 954.3582 NA PeJP NA NA +PJ098368 SCCCNNRR C32H58N16O12S3 954.3583 NA PeJP NA NA +PJ098369 QMMMMHF C40H62N10O9S4 954.3584 NA PeJP NA NA +PJ098370 GPCCKMMW C40H62N10O9S4 954.3585 NA PeJP NA NA +PJ098371 CNQMHHW C40H54N14O10S2 954.3589 NA PeJP NA NA +PJ098372 GSSSTQEEM C35H58N10O19S 954.3601 NA PeJP NA NA +PJ098373 AEEEEYW C43H54N8O17 954.3607 NA PeJP NA NA +PJ098374 EEEMMMR C36H62N10O14S3 954.3609 NA PeJP NA NA +PJ098375 GNDKEMMM C36H62N10O14S3 954.361 NA PeJP NA NA +PJ098376 GCNNNDRY C36H54N14O15S 954.3614 NA PeJP NA NA +PJ098377 GGGGGGGGPDMH C36H54N14O15S 954.3615 NA PeJP NA NA +PJ098378 PDEMMFW C44H58N8O12S2 954.3616 NA PeJP NA NA +PJ098379 CCCERRW C37H58N14O10S3 954.3623 NA PeJP NA NA +PJ098380 GCNNHHHH C37H50N18O11S 954.3628 NA PeJP NA NA +PJ098381 GPTEEEMY C40H58N8O17S 954.3641 NA PeJP NA NA +PJ098382 SSCCDERR C33H58N14O15S2 954.3648 NA PeJP NA NA +PJ098383 VEEMMMW C41H62N8O12S3 954.365 NA PeJP NA NA +PJ098384 NNNNMYW C41H54N12O13S 954.3654 NA PeJP NA NA +PJ098385 GGGGGGNMYW C41H54N12O13S 954.3655 NA PeJP NA NA +PJ098386 SPCCCMRR C34H62N14O10S4 954.3657 NA PeJP NA NA +PJ098387 ACCMRWW C42H58N12O8S3 954.3663 NA PeJP NA NA +PJ098388 SSLEEEMM C37H62N8O17S2 954.3675 NA PeJP NA NA +PJ098389 SSSSSSNNW C37H54N12O18 954.3679 NA PeJP NA NA +PJ098390 GGGTDDDRY C37H54N12O18 954.368 NA PeJP NA NA +PJ098391 SPVEMMMM C38H66N8O12S4 954.3683 NA PeJP NA NA +PJ098392 GSSCEMRW C38H58N12O13S2 954.3688 NA PeJP NA NA +PJ098393 GSDEHHHH C38H50N16O14 954.3693 NA PeJP NA NA +PJ098394 SSTCWWW C46H54N10O11S 954.3695 NA PeJP NA NA +PJ098395 CMMMHFR C39H62N12O8S4 954.3697 NA PeJP NA NA +PJ098396 CCNHHRW C39H54N16O9S2 954.3701 NA PeJP NA NA +PJ098397 GGCCHHRW C39H54N16O9S2 954.3702 NA PeJP NA NA +PJ098398 GSSSSDEMR C34H58N12O18S 954.3713 NA PeJP NA NA +PJ098399 SNQEEYW C42H54N10O16 954.3719 NA PeJP NA NA +PJ098400 SSSSSEWW C42H54N10O16 954.372 NA PeJP NA NA +PJ098401 GSNEMMMR C35H62N12O13S3 954.3722 NA PeJP NA NA +PJ098402 SSCNDHHR C35H54N16O14S 954.3727 NA PeJP NA NA +PJ098403 SSQMMWW C43H58N10O11S2 954.3728 NA PeJP NA NA +PJ098404 GGGAPPCCFF C43H58N10O11S2 954.3729 NA PeJP NA NA +PJ098405 SSSTQEMW C39H58N10O16S 954.3753 NA PeJP NA NA +PJ098406 GGGGGVEEMY C39H58N10O16S 954.3754 NA PeJP NA NA +PJ098407 SSSYYYW C47H54N8O14 954.376 NA PeJP NA NA +PJ098408 NDKMMMW C40H62N10O11S3 954.3762 NA PeJP NA NA +PJ098409 GSSNMHHW C40H54N14O12S 954.3767 NA PeJP NA NA +PJ098410 CNMFFFF C48H58N8O9S2 954.3769 NA PeJP NA NA +PJ098411 SSSSSDKEE C35H58N10O21 954.3778 NA PeJP NA NA +PJ098412 SSNKEEMM C36H62N10O16S2 954.3787 NA PeJP NA NA +PJ098413 SPNDDDHR C36H54N14O17 954.3792 NA PeJP NA NA +PJ098414 STQMYYY C44H58N8O14S 954.3793 NA PeJP NA NA +PJ098415 PTEEMYW C44H58N8O14S 954.3794 NA PeJP NA NA +PJ098416 GVQQMMMM C37H66N10O11S4 954.3796 NA PeJP NA NA +PJ098417 GCNNNMFR C37H58N14O12S2 954.38 NA PeJP NA NA +PJ098418 GGGCNNMFR C37H58N14O12S2 954.3801 NA PeJP NA NA +PJ098419 PPMMMYW C45H62N8O9S3 954.3802 NA PeJP NA NA +MJ098556 Chlorothricin C50H63ClO16 954.380463 NA MeJP NA NA +PJ098420 PCEHHFW C45H54N12O10S 954.3807 NA PeJP NA NA +PJ098421 SPTTEEEY C40H58N8O19 954.3818 NA PeJP NA NA +PJ098422 KEEEEEY C40H58N8O19 954.3819 NA PeJP NA NA +PJ098423 SSSSSCNQR C33H58N14O17S 954.3825 NA PeJP NA NA +PJ098424 GGGGSSSSTCR C33H58N14O17S 954.3826 NA PeJP NA NA +PJ098425 GPVEEMMY C41H62N8O14S2 954.3827 NA PeJP NA NA +PJ098426 SNDDRYW C41H54N12O15 954.3832 NA PeJP NA NA +PJ098427 GSCDMMRR C34H62N14O12S3 954.3834 NA PeJP NA NA +PJ098428 APPMMMMF C42H66N8O9S4 954.3836 NA PeJP NA NA +PJ098429 SSCMRWW C42H58N12O10S2 954.3841 NA PeJP NA NA +PJ098430 SDHHHHW C42H50N16O11 954.3845 NA PeJP NA NA +PJ098431 CQFWWW C50H54N10O8S 954.3847 NA PeJP NA NA +PJ098432 ATLEEMMM C38H66N8O14S3 954.3861 NA PeJP NA NA +PJ098433 SSSSDMRW C38H58N12O15S 954.3866 NA PeJP NA NA +PJ098434 APLMMMMM C39H70N8O9S5 954.387 NA PeJP NA NA +PJ098435 GSQEYWW C46H54N10O13 954.3872 NA PeJP NA NA +PJ098436 SNMMMRW C39H62N12O10S3 954.3874 NA PeJP NA NA +PJ098437 GGACCCKKW C39H62N12O10S3 954.3875 NA PeJP NA NA +PJ098438 QEMHHHH C39H54N16O11S 954.3879 NA PeJP NA NA +PJ098439 GMMHFFW C47H58N10O8S2 954.3881 NA PeJP NA NA +PJ098440 SSSSSSEER C34H58N12O20 954.3891 NA PeJP NA NA +PJ098441 SSSQEMMR C35H62N12O15S2 954.3899 NA PeJP NA NA +PJ098442 GGGGGSSSKMM C35H62N12O15S2 954.39 NA PeJP NA NA +PJ098443 GNNNDEHR C35H54N16O16 954.3904 NA PeJP NA NA +PJ098444 GGGGGGGGGGGATH C35H54N16O16 954.3905 NA PeJP NA NA +PJ098445 GSSTTMWW C43H58N10O13S 954.3906 NA PeJP NA NA +PJ098446 QQMMMMR C36H66N12O10S4 954.3908 NA PeJP NA NA +PJ098447 NFYYYW C51H54N8O11 954.3912 NA PeJP NA NA +PJ098448 GSCQMHHR C36H58N16O11S2 954.3913 NA PeJP NA NA +PJ098449 ACKMMWW C44H62N10O8S3 954.3915 NA PeJP NA NA +PJ098450 CQHHHFF C44H54N14O9S 954.3919 NA PeJP NA NA +PJ098451 GSSSTTTEW C39H58N10O18 954.3931 NA PeJP NA NA +PJ098452 SSSLNMMW C40H62N10O13S2 954.3939 NA PeJP NA NA +PJ098453 GSSKEMMW C40H62N10O13S2 954.394 NA PeJP NA NA +PJ098454 SSSSQHHW C40H54N14O14 954.3944 NA PeJP NA NA +PJ098455 GGGGGAQEHW C40H54N14O14 954.3945 NA PeJP NA NA +PJ098456 PPDMFYW C48H58N8O11S 954.3946 NA PeJP NA NA +PJ098457 KMMMMHF C41H66N10O8S4 954.3948 NA PeJP NA NA +PJ098458 GPPCCHRW C41H58N14O9S2 954.3953 NA PeJP NA NA +PJ098459 SSSSSLQEM C36H62N10O18S 954.3964 NA PeJP NA NA +PJ098460 GSSSTKEEM C36H62N10O18S 954.3965 NA PeJP NA NA +PJ098461 SLEEEYW C44H58N8O16 954.3971 NA PeJP NA NA +PJ098462 GTQKEMMM C37H66N10O13S3 954.3973 NA PeJP NA NA +PJ098463 CNDERRY C37H58N14O14S 954.3978 NA PeJP NA NA +PJ098464 PVEMMYW C45H62N8O11S2 954.398 NA PeJP NA NA +PJ098465 NNNNFFW C45H54N12O12 954.3984 NA PeJP NA NA +PJ098466 SPNEHWW C45H54N12O12 954.3985 NA PeJP NA NA +PJ098467 TCCMRRW C38H62N14O9S3 954.3987 NA PeJP NA NA +PJ098468 CEHHHHR C38H54N18O10S 954.3991 NA PeJP NA NA +PJ098469 GSSSSSSSNR C33H58N14O19 954.4003 NA PeJP NA NA +PJ098470 AALEEEMY C41H62N8O16S 954.4005 NA PeJP NA NA +PJ098471 SSSCEMRR C34H62N14O14S2 954.4012 NA PeJP NA NA +PJ098472 SPPVMMMY C42H66N8O11S3 954.4014 NA PeJP NA NA +PJ098473 GNEMRYW C42H58N12O12S 954.4018 NA PeJP NA NA +PJ098474 GGGGGAPPPCW C42H58N12O12S 954.4019 NA PeJP NA NA +PJ098475 CQMMMRR C35H66N14O9S4 954.402 NA PeJP NA NA +PJ098476 GACMMMRR C35H66N14O9S4 954.4021 NA PeJP NA NA +PJ098477 SQYWWW C50H54N10O10 954.4025 NA PeJP NA NA +PJ098478 AMHHHHW C43H54N16O8S 954.4032 NA PeJP NA NA +PJ098479 TTTLEEMM C38H66N8O16S2 954.4039 NA PeJP NA NA +PJ098480 GSSQEERY C38H58N12O17 954.4043 NA PeJP NA NA +PJ098481 GGGGALEEEH C38H58N12O17 954.4044 NA PeJP NA NA +PJ098482 GLLEMMMM C39H70N8O11S4 954.4047 NA PeJP NA NA +PJ098483 GSSTMMRW C39H62N12O12S2 954.4052 NA PeJP NA NA +PJ098484 NNNDHRW C39H54N16O13 954.4057 NA PeJP NA NA +PJ098485 AAQMYWW C47H58N10O10S 954.4058 NA PeJP NA NA +PJ098486 GGGVMYWW C47H58N10O10S 954.4059 NA PeJP NA NA +PJ098487 NHHHHHH C40H50N20O9 954.407 NA PeJP NA NA +PJ098488 GSSSTTEMR C35H62N12O17S 954.4077 NA PeJP NA NA +PJ098489 SSSTTTWW C43H58N10O15 954.4083 NA PeJP NA NA +PJ098490 GGSKEEYW C43H58N10O15 954.4084 NA PeJP NA NA +PJ098491 GSDKMMMR C36H66N12O12S3 954.4086 NA PeJP NA NA +PJ098492 SSSNMHHR C36H58N16O13S 954.409 NA PeJP NA NA +PJ098493 GPCDDHRR C36H58N16O13S 954.4091 NA PeJP NA NA +C18010 Deltorphin A C44H62N10O10S2 954.4092 NA KEGG NA NA +PJ098494 SSKMMWW C44H62N10O10S2 954.4092 NA PeJP NA NA +PJ098495 GNQQHWW C44H54N14O11 954.4097 NA PeJP NA NA +PJ098496 SSSTKEMW C40H62N10O15S 954.4117 NA PeJP NA NA +PJ098497 PPTEYYW C48H58N8O13 954.4124 NA PeJP NA NA +PJ098498 TQKMMMW C41H66N10O10S3 954.4126 NA PeJP NA NA +PJ098499 GCDRRYW C41H58N14O11S 954.4131 NA PeJP NA NA +PJ098500 PPMMFFW C49H62N8O8S2 954.4132 NA PeJP NA NA +PJ098501 CCMMRRR C34H66N16O8S4 954.4133 NA PeJP NA NA +PJ098502 GSPHWWW C49H54N12O9 954.4137 NA PeJP NA NA +PJ098503 SSSSTTKEE C36H62N10O20 954.4142 NA PeJP NA NA +PJ098504 SSDKKEMM C37H66N10O15S2 954.4151 NA PeJP NA NA +PJ098505 SSSNNQRY C37H58N14O16 954.4155 NA PeJP NA NA +PJ098506 GSSDDRRY C37H58N14O16 954.4156 NA PeJP NA NA +PJ098507 VVEEMYW C45H62N8O13S 954.4157 NA PeJP NA NA +PJ098508 GPVEEMFF C45H62N8O13S 954.4158 NA PeJP NA NA +PJ098509 GVQKMMMM C38H70N10O10S4 954.416 NA PeJP NA NA +PJ098510 GPTCCRRY C38H62N14O11S2 954.4164 NA PeJP NA NA +PJ098511 GGGGACCKFR C38H62N14O11S2 954.4165 NA PeJP NA NA +PJ098512 PLMMMFW C46H66N8O8S3 954.4166 NA PeJP NA NA +PJ098513 NMRYWW C46H58N12O9S 954.4171 NA PeJP NA NA +PJ098514 ATTLEEEY C41H62N8O18 954.4182 NA PeJP NA NA +PJ098515 SSSSSCNKR C34H62N14O16S 954.4189 NA PeJP NA NA +PJ098516 APTLEMMY C42H66N8O13S2 954.4191 NA PeJP NA NA +PJ098517 SSQERYW C42H58N12O14 954.4196 NA PeJP NA NA +PJ098518 GSSMMMRR C35H66N14O11S3 954.4198 NA PeJP NA NA +PJ098519 LLMMMMW C43H70N8O8S4 954.42 NA PeJP NA NA +PJ098520 VCNMFRW C43H62N12O9S2 954.4204 NA PeJP NA NA +PJ098521 PCCKRYW C43H62N12O9S2 954.4205 NA PeJP NA NA +PJ098522 TTHHHHW C43H54N16O10 954.4209 NA PeJP NA NA +PJ098523 CKFWWW C51H58N10O7S 954.4211 NA PeJP NA NA +PJ098524 STLLEMMM C39H70N8O13S3 954.4225 NA PeJP NA NA +PJ098525 SSSTTMRW C39H62N12O14S 954.4229 NA PeJP NA NA +PJ098526 GGDKEMRY C39H62N12O14S 954.423 NA PeJP NA NA +PJ098527 GSKEYWW C47H58N10O12 954.4236 NA PeJP NA NA +PJ098528 TCKMMRW C40H66N12O9S3 954.4238 NA PeJP NA NA +PJ098529 NNMHHFR C40H58N16O10S 954.4243 NA PeJP NA NA +PJ098530 SSSSTTTER C35H62N12O19 954.4254 NA PeJP NA NA +PJ098531 GGGSSSSSTTK C35H62N12O19 954.4255 NA PeJP NA NA +PJ098532 SSSKEMMR C36H66N12O14S2 954.4263 NA PeJP NA NA +PJ098533 NDEEHRR C36H58N16O15 954.4268 NA PeJP NA NA +PJ098534 AQKEMYW C44H62N10O12S 954.427 NA PeJP NA NA +PJ098535 QKMMMMR C37H70N12O9S4 954.4272 NA PeJP NA NA +PJ098536 PPDFFFW C52H58N8O10 954.4276 NA PeJP NA NA +PJ098537 CCDFRRR C37H62N16O10S2 954.4277 NA PeJP NA NA +PJ098538 APCHRWW C45H58N14O8S 954.4283 NA PeJP NA NA +PJ098539 SSSSSTTLW C40H62N10O17 954.4295 NA PeJP NA NA +PJ098540 GTTTKMMW C41H66N10O12S2 954.4303 NA PeJP NA NA +PJ098541 GGAPTKMMY C41H66N10O12S2 954.4304 NA PeJP NA NA +PJ098542 AQEEHRW C41H58N14O13 954.4308 NA PeJP NA NA +PJ098543 GGGGGGGGPVHF C41H58N14O13 954.4309 NA PeJP NA NA +PJ098544 PPVMYYW C49H62N8O10S 954.431 NA PeJP NA NA +PJ098545 GCMFRRW C42H62N14O8S2 954.4317 NA PeJP NA NA +PJ098546 GPPHHHHH C42H54N18O9 954.4322 NA PeJP NA NA +PJ098547 SSSSSLKEM C37H66N10O17S 954.4328 NA PeJP NA NA +PJ098548 AAPLEEYY C45H62N8O15 954.4335 NA PeJP NA NA +PJ098549 GTKKEMMM C38H70N10O12S3 954.4337 NA PeJP NA NA +PJ098550 SNEMRRY C38H62N14O13S 954.4342 NA PeJP NA NA +PJ098551 VLEMMFW C46H66N8O10S2 954.4344 NA PeJP NA NA +PJ098552 GSTRYWW C46H58N12O11 954.4348 NA PeJP NA NA +PJ098553 GGALEHWW C46H58N12O11 954.4349 NA PeJP NA NA +PJ098554 LMMMHHR C39H66N14O8S3 954.4351 NA PeJP NA NA +PJ098555 TMHHHHR C39H58N18O9S 954.4355 NA PeJP NA NA +MJ098557 Tetrocarcin E1 C49H66N2O17 954.436148 NA MeJP NA NA +MJ098558 Tetrocarcin E2 C49H66N2O17 954.436148 NA MeJP NA NA +PJ098556 GTLLEEMY C42H66N8O15S 954.4369 NA PeJP NA NA +PJ098557 SSSTMMRR C35H66N14O13S2 954.4375 NA PeJP NA NA +PJ098558 GSSSCCKKR C35H66N14O13S2 954.4376 NA PeJP NA NA +PJ098559 GPLLMMMY C43H70N8O10S3 954.4377 NA PeJP NA NA +PJ098560 GSNNDHRR C35H58N18O14 954.438 NA PeJP NA NA +PJ098561 GGGGGSDHRR C35H58N18O14 954.4381 NA PeJP NA NA +PJ098562 GDKMRYW C43H62N12O11S 954.4382 NA PeJP NA NA +PJ098563 CKMMMRR C36H70N14O8S4 954.4384 NA PeJP NA NA +PJ098564 SKYWWW C51H58N10O9 954.4388 NA PeJP NA NA +PJ098565 SPPPWWW C51H58N10O9 954.4389 NA PeJP NA NA +PJ098566 GSSKEERY C39H62N12O16 954.4407 NA PeJP NA NA +PJ098567 SVLLMMMM C40H74N8O10S4 954.4411 NA PeJP NA NA +PJ098568 VQQMMRY C40H66N12O11S2 954.4416 NA PeJP NA NA +PJ098569 SNQQHRW C40H58N16O12 954.442 NA PeJP NA NA +PJ098570 GDEHRRW C40H58N16O12 954.4421 NA PeJP NA NA +PJ098571 AAKMYWW C48H62N10O9S 954.4422 NA PeJP NA NA +PJ098572 SSSSSTLMR C36H66N12O16S 954.4441 NA PeJP NA NA +PJ098573 SDKKEYW C44H62N10O14 954.4447 NA PeJP NA NA +PJ098574 GAAPPLDEW C44H62N10O14 954.4448 NA PeJP NA NA +PJ098575 GTTKMMMR C37H70N12O11S3 954.445 NA PeJP NA NA +PJ098576 SCDRRRY C37H62N16O12S 954.4454 NA PeJP NA NA +PJ098577 GGGGGGGLMHR C37H62N16O12S 954.4455 NA PeJP NA NA +PJ098578 PCKKMYW C45H66N10O9S2 954.4456 NA PeJP NA NA +MJ098559 2,3-Dihydroxy-30-nor-23-oxo-12,20(29)-oleanadien-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C47H70O20 954.446044 NA MeJP NA NA +MJ098560 Betavulgaroside II; 28-O-?-D-Glucopyranosyl ester C47H70O20 954.446044 NA MeJP NA NA +MJ098561 Spirosta-5,25(27)-diene-1,3,23,24-tetrol, 1-O-[2,3-Di-O-acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] C47H70O20 954.446044 NA MeJP NA NA +PJ098579 AAEHRWW C45H58N14O10 954.4461 NA PeJP NA NA +PJ098580 STTTTKMW C41H66N10O14S 954.4481 NA PeJP NA NA +PJ098581 PVVEYYW C49H62N8O12 954.4487 NA PeJP NA NA +PJ098582 PTLEFYW C49H62N8O12 954.4488 NA PeJP NA NA +PJ098583 TKKMMMW C42H70N10O9S3 954.449 NA PeJP NA NA +PJ098584 GSMRRYW C42H62N14O10S 954.4494 NA PeJP NA NA +PJ098585 GAPTMHRW C42H62N14O10S 954.4495 NA PeJP NA NA +PJ098586 LQHWWW C50H58N12O8 954.4501 NA PeJP NA NA +PJ098587 SSTTTTTKE C37H66N10O19 954.4506 NA PeJP NA NA +PJ098588 STTKKEMM C38H70N10O14S2 954.4515 NA PeJP NA NA +PJ098589 GSSTERRY C38H62N14O15 954.4519 NA PeJP NA NA +PJ098590 GGGGSSSKRY C38H62N14O15 954.452 NA PeJP NA NA +PJ098591 TLLEMYW C46H66N8O12S 954.4521 NA PeJP NA NA +PJ098592 GVKKMMMM C39H74N10O9S4 954.4524 NA PeJP NA NA +PJ098593 AQMMRRY C39H66N14O10S2 954.4528 NA PeJP NA NA +PJ098594 GSPQHHHR C39H58N18O11 954.4533 NA PeJP NA NA +PJ098595 APKMHWW C47H62N12O8S 954.4535 NA PeJP NA NA +PJ098596 STTLLEEY C42H66N8O17 954.4546 NA PeJP NA NA +PJ098597 GVLLEMMY C43H70N8O12S2 954.4555 NA PeJP NA NA +PJ098598 SSKERYW C43H62N12O13 954.456 NA PeJP NA NA +PJ098599 SCCCKKKR C36H70N14O10S3 954.4562 NA PeJP NA NA +PJ098600 NNQMHRR C36H62N18O11S 954.4566 NA PeJP NA NA +PJ098601 GGNQMHRR C36H62N18O11S 954.4567 NA PeJP NA NA +PJ098602 GKMMFRW C44H66N12O8S2 954.4568 NA PeJP NA NA +PJ098603 DHRRWW C44H58N16O9 954.4573 NA PeJP NA NA +PJ098604 TQKEMRY C40H66N12O13S 954.4593 NA PeJP NA NA +PJ098605 GGGGGTKKMY C40H66N12O13S 954.4594 NA PeJP NA NA +PJ098606 ATTKYWW C48H62N10O11 954.46 NA PeJP NA NA +PJ098607 PTCHRRW C41H62N16O9S 954.4607 NA PeJP NA NA +PJ098608 SSTTTTTTR C36H66N12O18 954.4618 NA PeJP NA NA +PJ098609 STTTKMMR C37H70N12O13S2 954.4627 NA PeJP NA NA +PJ098610 TQEEHRR C37H62N16O14 954.4632 NA PeJP NA NA +PJ098611 SLQKMYW C45H66N10O11S 954.4633 NA PeJP NA NA +PJ098612 AKKEMYW C45H66N10O11S 954.4634 NA PeJP NA NA +PJ098613 KKMMMMR C38H74N12O8S4 954.4636 NA PeJP NA NA +PJ098614 PPVFFYW C53H62N8O9 954.464 NA PeJP NA NA +PJ098615 ACMRRRY C38H66N16O9S2 954.4641 NA PeJP NA NA +PJ098616 SSSSPVTKY C41H66N10O16 954.4658 NA PeJP NA NA +PJ098617 GTTKKEEY C41H66N10O16 954.4659 NA PeJP NA NA +PJ098618 LLEMMRY C42H70N10O11S2 954.4667 NA PeJP NA NA +PJ098619 GGGPPPVLMM C42H70N10O11S2 954.4668 NA PeJP NA NA +PJ098620 SSTRRYW C42H62N14O12 954.4672 NA PeJP NA NA +PJ098621 PVLMFYW C50H66N8O9S 954.4674 NA PeJP NA NA +PJ098622 CNNHRRR C35H62N20O10S 954.4679 NA PeJP NA NA +PJ098623 SSSTTTLKM C38H70N10O16S 954.4692 NA PeJP NA NA +PJ098624 GPTLLEYY C46H66N8O14 954.4699 NA PeJP NA NA +PJ098625 SSLKKMMM C39H74N10O11S3 954.4701 NA PeJP NA NA +PJ098626 SDKMRRY C39H66N14O12S 954.4706 NA PeJP NA NA +PJ098627 VLLMMYW C47H70N8O9S2 954.4708 NA PeJP NA NA +PJ098628 PPVDRWW C47H62N12O10 954.4712 NA PeJP NA NA +PJ098629 TTCLLLEY C43H70N8O14S 954.4732 NA PeJP NA NA +PJ098630 SSLLLEMY C43H70N8O14S 954.4733 NA PeJP NA NA +PJ098631 GLLLMMMF C44H74N8O9S3 954.4741 NA PeJP NA NA +PJ098632 SDEHRRR C36H62N18O13 954.4744 NA PeJP NA NA +PJ098633 GGGGGGGGAPRR C36H62N18O13 954.4745 NA PeJP NA NA +PJ098634 ATKMRYW C44H66N12O10S 954.4746 NA PeJP NA NA +PJ098635 APPLWWW C52H62N10O8 954.4752 NA PeJP NA NA +PJ098636 PCMHRRR C37H66N18O8S2 954.4753 NA PeJP NA NA +PJ098637 GTTTKERY C40H66N12O15 954.4771 NA PeJP NA NA +PJ098638 VQKMMRY C41H70N12O10S2 954.478 NA PeJP NA NA +PJ098639 ATEHRRW C41H62N16O11 954.4784 NA PeJP NA NA +PJ098640 GGGGTKHRW C41H62N16O11 954.4785 NA PeJP NA NA +PJ098641 PCKKFFW C49H66N10O8S 954.4786 NA PeJP NA NA +PJ098642 SSSSTCKKK C37H70N12O15S 954.4805 NA PeJP NA NA +PJ098643 TTKKEYW C45H66N10O13 954.4811 NA PeJP NA NA +PJ098644 SCCKKKKM C38H74N12O10S3 954.4813 NA PeJP NA NA +PJ098645 SSMRRRY C38H66N16O11S 954.4818 NA PeJP NA NA +PJ098646 CLKKMFW C46H70N10O8S2 954.482 NA PeJP NA NA +MJ098562 11-Hydroxy-3,21-dioxo-12-oleanen-28-oic acid; 11?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H74O19 954.48243 NA MeJP NA NA +MJ098563 27(13?18)-Abeo-3-hydroxy-14-taraxerene-28,29-dioic acid, 3-Ketone, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H74O19 954.48243 NA MeJP NA NA +MJ098564 3,15,22-Trihydroxy-12-oleanen-28-oic acid, 28?22 Lactone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H74O19 954.48243 NA MeJP NA NA +MJ098565 3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucuronopyranoside], 28-Me ester C48H74O19 954.48243 NA MeJP NA NA +MJ098566 3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucuronopyranoside] C48H74O19 954.48243 NA MeJP NA NA +MJ098567 9(11),12-Oleanadiene-3,21,29-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H74O19 954.48243 NA MeJP NA NA +MJ098568 Chiisanogenin; [?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H74O19 954.48243 NA MeJP NA NA +PJ098647 GTLHRWW C46H62N14O9 954.4825 NA PeJP NA NA +PJ098648 KKKEEMY C42H70N10O13S 954.4845 NA PeJP NA NA +PJ098649 PTLLYYW C50H66N8O11 954.4851 NA PeJP NA NA +PJ098650 GPVLEFFF C50H66N8O11 954.4852 NA PeJP NA NA +PJ098651 PTKMHRW C43H66N14O9S 954.4858 NA PeJP NA NA +PJ098652 LKHWWW C51H62N12O7 954.4865 NA PeJP NA NA +PJ098653 TTTTTTTTK C38H70N10O18 954.487 NA PeJP NA NA +PJ098654 SSSSLRRY C39H66N14O14 954.4883 NA PeJP NA NA +PJ098655 GGGGPPTKER C39H66N14O14 954.4884 NA PeJP NA NA +PJ098656 GPVLLMYY C47H70N8O11S 954.4885 NA PeJP NA NA +PJ098657 AKMMRRY C40H70N14O9S2 954.4892 NA PeJP NA NA +PJ098658 GSPKHHHR C40H62N18O10 954.4897 NA PeJP NA NA +PJ098659 ATLLLMMY C44H74N8O11S2 954.4919 NA PeJP NA NA +PJ098660 TTTKRYW C44H66N12O12 954.4923 NA PeJP NA NA +PJ098661 GPPTLERW C44H66N12O12 954.4924 NA PeJP NA NA +PJ098662 NNKMHRR C37H66N18O10S 954.493 NA PeJP NA NA +PJ098663 AEMHRRR C37H66N18O10S 954.4931 NA PeJP NA NA +PJ098664 GPHFRRW C45H62N16O8 954.4937 NA PeJP NA NA +PJ098665 TKKEMRY C41H70N12O12S 954.4957 NA PeJP NA NA +PJ098666 GGGGAAPPLKM C41H70N12O12S 954.4958 NA PeJP NA NA +PJ098667 PPLKEWW C49H66N10O10 954.4964 NA PeJP NA NA +PJ098668 GLMHRRW C42H66N16O8S 954.4971 NA PeJP NA NA +PJ098669 TKEEHRR C38H66N16O13 954.4996 NA PeJP NA NA +PJ098670 SLKKMYW C46H70N10O10S 954.4997 NA PeJP NA NA +PJ098671 SPPPLKMW C46H70N10O10S 954.4998 NA PeJP NA NA +PJ098672 PVLFFFW C54H66N8O8 954.5004 NA PeJP NA NA +PJ098673 VNHHHRR C39H62N20O9 954.5009 NA PeJP NA NA +PJ098674 SSTLKKEY C42H70N10O15 954.5022 NA PeJP NA NA +PJ098675 TTLLLEEH C42H70N10O15 954.5023 NA PeJP NA NA +2632 synthetic fr, of human beta-CN (45-52) ACE inhibitor QPQPLIYP 954.503 NA Inhouse_peptide NA peptide +PJ098676 AALKKMMY C43H74N10O10S2 954.5031 NA PeJP NA NA +PJ098677 SLKEHRW C43H66N14O11 954.5036 NA PeJP NA NA +PJ098678 VLLMFFW C51H70N8O8S 954.5038 NA PeJP NA NA +PJ098679 AALLLEYY C47H70N8O13 954.5063 NA PeJP NA NA +PJ098680 TTKMRRY C40H70N14O11S 954.507 NA PeJP NA NA +PJ098681 PPTLRWW C48H66N12O9 954.5076 NA PeJP NA NA +PJ098682 TTTLLLMY C44H74N8O13S 954.5096 NA PeJP NA NA +PJ098683 TTEHRRR C37H66N18O12 954.5108 NA PeJP NA NA +PJ098684 GPPVLMRW C45H70N12O9S 954.511 NA PeJP NA NA +PJ098685 GHHHRRR C38H62N22O8 954.5122 NA PeJP NA NA +PJ098686 SSTTLKRY C41H70N12O14 954.5135 NA PeJP NA NA +PJ098687 VKKMMRY C42H74N12O9S2 954.5144 NA PeJP NA NA +PJ098688 STLHRRW C42H66N16O10 954.5148 NA PeJP NA NA +PJ098689 SPPVLKEW C46H70N10O12 954.5175 NA PeJP NA NA +PJ098690 VKEMHRR C39H70N16O10S 954.5182 NA PeJP NA NA +PJ098691 KFRRYW C47H66N14O8 954.5188 NA PeJP NA NA +MJ098569 3,11,12,14-Tetrahydroxypregn-5-en-20-one, 12-(2-Hydroxy-3-methylbutanoyl), 11-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranosyl(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] C49H78O18 954.518815 NA MeJP NA NA +MJ098570 3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-canaropyranosyl-(1?4)-?-D-canaropyranosyl-(1?4)-?-D-oleandropyranoside] C49H78O18 954.518815 NA MeJP NA NA +MJ098571 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H78O18 954.518815 NA MeJP NA NA +MJ098572 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranoside] C49H78O18 954.518815 NA MeJP NA NA +MJ098573 Jujubogenin; 3-O-[2-O-Acetyl-?-L-rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-L-arabinopyranoside] C49H78O18 954.518815 NA MeJP NA NA +MJ098574 Jujubogenin; 3-O-[3-O-Acetyl-?-L-rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-L-arabinopyranoside] C49H78O18 954.518815 NA MeJP NA NA +MJ098575 Jujubogenin; 3-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-L-arabinopyranoside] C49H78O18 954.518815 NA MeJP NA NA +MJ098576 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?4)-6-O-ethyl-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C49H78O18 954.518815 NA MeJP NA NA +MJ098577 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-6-O-methyl-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C49H78O18 954.518815 NA MeJP NA NA +PJ098692 PPPFRRW C47H66N14O8 954.5189 NA PeJP NA NA +PJ098693 ATTLKKMY C43H74N10O12S 954.5209 NA PeJP NA NA +PJ098694 VVLLYYW C51H70N8O10 954.5215 NA PeJP NA NA +PJ098695 PPLMRRW C44H70N14O8S 954.5222 NA PeJP NA NA +MJ098578 Cephalostatin 3; 9'-Deoxy, 8'-hydroxy, 9',11'-didehydro, 14'?,15'?-epoxide C55H74N2O12 954.524175 NA MeJP NA NA +PJ098696 GPVLEERR C40H70N14O13 954.5247 NA PeJP NA NA +PJ098697 GGGGGGAAPVKK C40H70N14O13 954.5248 NA PeJP NA NA +PJ098698 GVLLLMFY C48H74N8O10S 954.5249 NA PeJP NA NA +PJ098699 GPQRRRW C41H66N18O9 954.5261 NA PeJP NA NA +PJ098700 PLLLLEEE C44H74N8O15 954.5274 NA PeJP NA NA +PJ098701 AAPLLERW C45H70N12O11 954.5287 NA PeJP NA NA +PJ098702 AAPILERW C45H70N12O11 954.5288 NA PeJP NA NA +PJ098703 SLMHRRR C38H70N18O9S 954.5294 NA PeJP NA NA +PJ098704 GTCKKKKY C42H74N12O11S 954.5321 NA PeJP NA NA +PJ098705 PLLLQWW C50H70N10O9 954.5328 NA PeJP NA NA +PJ098706 ATTTLHRR C39H70N16O12 954.5359 NA PeJP NA NA +PJ098707 PLEERRR C39H70N16O12 954.536 NA PeJP NA NA +PJ098708 APPLLKMW C47H74N10O9S 954.5361 NA PeJP NA NA +PJ098709 PPHHRRR C40H66N20O8 954.5373 NA PeJP NA NA +PJ098710 TTTTLKKY C43H74N10O14 954.5386 NA PeJP NA NA +PJ098711 GGPLLLKEE C43H74N10O14 954.5387 NA PeJP NA NA +PJ098712 VVLLLMMH C44H78N10O9S2 954.5395 NA PeJP NA NA +PJ098713 PVLERRW C44H70N14O10 954.54 NA PeJP NA NA +MJ098579 Nostopeptin A C48H74N8O12 954.542619 NA MeJP NA NA +PJ098714 GTLLLLYY C48H74N8O12 954.5427 NA PeJP NA NA +PJ098715 SPPVLMRR C41H74N14O10S 954.5434 NA PeJP NA NA +PJ098716 PVVLRWW C49H70N12O8 954.544 NA PeJP NA NA +PJ098717 PNKERRR C38H70N18O11 954.5472 NA PeJP NA NA +PJ098718 LLKKMHW C46H74N12O8S 954.5474 NA PeJP NA NA +PJ098719 SSSKKKKY C42H74N12O13 954.5499 NA PeJP NA NA +PJ098720 PVNKRRW C43H70N16O9 954.5512 NA PeJP NA NA +PJ098721 GPLLLKEW C47H74N10O11 954.5539 NA PeJP NA NA +PJ098722 APPCKKRR C40H74N16O9S 954.5546 NA PeJP NA NA +MJ098580 Cycloart-24-ene-3,22,26-triol, 3-O-[6-Deoxy-?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?6)-?-D-4-acetylglucopyranoside] C50H82O17 954.555201 NA MeJP NA NA +PJ098723 PPLLKKEM C44H78N10O11S 954.5573 NA PeJP NA NA +PJ098724 GVLLLFFF C52H74N8O9 954.5579 NA PeJP NA NA +PJ098725 SPQRRRR C37H70N20O10 954.5584 NA PeJP NA NA +PJ098726 APTLLERR C41H74N14O12 954.5611 NA PeJP NA NA +PJ098727 LKKHHHR C42H70N18O8 954.5624 NA PeJP NA NA +PJ098728 GPKRRRW C42H70N18O8 954.5625 NA PeJP NA NA +PJ098729 GPTLLLRW C46H74N12O10 954.5651 NA PeJP NA NA +PJ098730 CKKKHRR C39H74N18O8S 954.5658 NA PeJP NA NA +MJ098581 Foromacidin A; 3,4''-Dipropanoyl C49H82N2O16 954.566434 NA MeJP NA NA +MJ098582 Foromacidin A; 4''-(2-Methylpropanoyl), 3-Ac C49H82N2O16 954.566434 NA MeJP NA NA +MJ098583 Foromacidin A; 4''-Butanoyl, 3-Ac C49H82N2O16 954.566434 NA MeJP NA NA +MJ098584 Methylenedidemnin A C50H78N6O12 954.567771 NA MeJP NA NA +PJ098731 PPTLLKMR C43H78N12O10S 954.5685 NA PeJP NA NA +PJ098732 PLLLKWW C51H74N10O8 954.5692 NA PeJP NA NA +PJ098733 AAPKKERR C40H74N16O11 954.5723 NA PeJP NA NA +PJ098734 GPVDKKRR C40H74N16O11 954.5724 NA PeJP NA NA +PJ098735 PVLLKKEE C44H78N10O13 954.575 NA PeJP NA NA +PJ098736 PLQKKRW C45H74N14O9 954.5764 NA PeJP NA NA +PJ098737 GPLLLMRR C42H78N14O9S 954.5797 NA PeJP NA NA +PJ098738 PDKKRRR C39H74N18O10 954.5836 NA PeJP NA NA +PJ098739 VLLLNQQK C43H78N12O12 954.5862 NA PeJP NA NA +PJ098740 SPLLLKER C43H78N12O12 954.5863 NA PeJP NA NA +PJ098741 VLKHFRR C44H74N16O8 954.5876 NA PeJP NA NA +PJ098742 SPVLLLKW C48H78N10O10 954.5903 NA PeJP NA NA +PJ098743 KKKKMHR C41H78N16O8S 954.591 NA PeJP NA NA +PJ098744 PLLLLQKM C45H82N10O10S 954.5937 NA PeJP NA NA +PJ098745 SPKRRRR C38H74N20O9 954.5948 NA PeJP NA NA +PJ098746 GVLLLERR C42H78N14O11 954.5975 NA PeJP NA NA +PJ098747 LLLLLLEE C46H82N8O13 954.6002 NA PeJP NA NA +PJ098748 AALLLLRW C47H78N12O9 954.6015 NA PeJP NA NA +PJ098749 PVVLLKMR C44H82N12O9S 954.6049 NA PeJP NA NA +PJ098750 GVRRRRR C37H74N22O8 954.6061 NA PeJP NA NA +PJ098751 LLLERRR C41H78N16O10 954.6087 NA PeJP NA NA +PJ098752 VLLLLQKE C45H82N10O12 954.6114 NA PeJP NA NA +PJ098753 PLKKKRW C46H78N14O8 954.6127 NA PeJP NA NA +PJ098754 VLLLRRW C46H78N14O8 954.6128 NA PeJP NA NA +PJ098755 RRRRRR C36H74N24O7 954.6173 NA PeJP NA NA +PJ098756 VLQKRRR C40H78N18O9 954.62 NA PeJP NA NA +PJ098757 VVVLLKER C44H82N12O11 954.6226 NA PeJP NA NA +PJ098758 ALLLLKER C44H82N12O11 954.6227 NA PeJP NA NA +PJ098759 GLLLLLKW C49H82N10O9 954.6267 NA PeJP NA NA +PJ098760 PLLLLKKM C46H86N10O9S 954.63 NA PeJP NA NA +PJ098761 ALKRRRR C39H78N20O8 954.6312 NA PeJP NA NA +PJ098762 ATLLLLRR C43H82N14O10 954.6339 NA PeJP NA NA +PJ098763 AALLKKRR C42H82N16O9 954.6451 NA PeJP NA NA +PJ098764 VLLLLKKE C46H86N10O11 954.6478 NA PeJP NA NA +PJ098765 VLKKRRR C41H82N18O8 954.6564 NA PeJP NA NA +PJ098766 SLLLLLKR C45H86N12O10 954.659 NA PeJP NA NA +PJ098767 GLLLKKKR C44H86N14O9 954.6703 NA PeJP NA NA +MJ098585 Zeaxanthin; 3-O-[13-Methyltetradecanoyl-(?6)-?-D-glucopyranoside] C61H94O8 954.694869 NA MeJP NA NA +C15957 Thermozeaxanthin-15 C61H94O8 954.6949 NA KEGG NA NA +PJ098768 VVLLKKKK C46H90N12O9 954.6954 NA PeJP NA NA +HMDB10525 TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] C63H102O6 954.767639 NA HMDB2010 NA NA +HMDB10542 TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] C63H102O6 954.767639 NA HMDB2010 NA NA +3187 cystatin S (94-109) KKQLCSFEIYEVPWED 954.9645 MH2+ Inhouse_peptide NA peptide +PJ098769 SCCCCCCCE C29H49N9O13S7 955.1495 NA PeJP NA NA +HMDB12223 E-Phenylitaconyl-CoA C32H44N7O19P3S 955.162537 NA HMDB2010 NA NA +MetaCyc04342 E-phenylitaconyl-CoA [E-phenylitaconyl-CoA;E-benzylidene-succinyl-CoA;] C32H44N7O19P3S1 955.162552 NA metacyc NA NA +C09818 E-Phenylitaconyl-CoA C32H44N7O19P3S 955.1626 NA KEGG NA NA +C17740 p-Coumaroyl-diketide-CoA C32H44N7O19P3S 955.1626 NA KEGG NA NA +PJ098770 GCCCCCCMM C30H53N9O10S8 955.1682 NA PeJP NA NA +PJ098771 GCCCCCCDF C33H49N9O12S6 955.1825 NA PeJP NA NA +PJ098772 STCCCCCCM C30H53N9O12S7 955.1859 NA PeJP NA NA +PJ098773 GSCCCCCDY C33H49N9O14S5 955.2003 NA PeJP NA NA +PJ098774 CCCCCQMY C34H53N9O11S6 955.2189 NA PeJP NA NA +PJ098775 GCCCCCNNH C31H49N13O12S5 955.2228 NA PeJP NA NA +PJ098776 GSCCCCDEH C32H49N11O15S4 955.2293 NA PeJP NA NA +PJ098777 CCCCCCRY C33H53N11O10S6 955.2302 NA PeJP NA NA +PJ098778 GSCDDDDDD C32H45N9O23S 955.235 NA PeJP NA NA +PJ098779 GPCCCDDDE C33H49N9O18S3 955.2358 NA PeJP NA NA +PJ098780 GSSCCCCMY C34H53N9O13S5 955.2367 NA PeJP NA NA +PJ098781 SCCCCDHW C36H49N11O12S4 955.2445 NA PeJP NA NA +PJ098782 SSSCCCDDH C32H49N11O17S3 955.247 NA PeJP NA NA +PJ098783 CCCNDMMH C33H53N11O12S5 955.2479 NA PeJP NA NA +PJ098784 PCCCDDDW C37H49N9O15S3 955.2511 NA PeJP NA NA +PJ098785 CCCCCQFF C38H53N9O10S5 955.2519 NA PeJP NA NA +PJ098786 CNDDDDEM C33H49N9O20S2 955.2536 NA PeJP NA NA +PJ098787 SSSTCCCCY C34H53N9O15S4 955.2544 NA PeJP NA NA +PJ098788 CCCCCKMY C35H57N9O10S6 955.2553 NA PeJP NA NA +PJ098789 GCCCNNNND C31H49N13O16S3 955.2583 NA PeJP NA NA +PJ098790 CCCCCEHR C32H53N13O11S5 955.2592 NA PeJP NA NA +PJ098791 CCCNDDHF C36H49N11O14S3 955.2623 NA PeJP NA NA +PJ098792 ACCCCMHW C37H53N11O9S5 955.2632 NA PeJP NA NA +PJ098793 CCDDDDDR C32H49N11O19S2 955.2648 NA PeJP NA NA +PJ098794 GSSCCCEMH C33H53N11O14S4 955.2657 NA PeJP NA NA +PJ098795 CCCCNHHH C34H49N15O10S4 955.267 NA PeJP NA NA +PJ098796 GCDDDDMW C37H49N9O17S2 955.2688 NA PeJP NA NA +PJ098797 GCCCNMYY C38H53N9O12S4 955.2697 NA PeJP NA NA +PJ098798 GSSDDDDDM C33H49N9O22S 955.2713 NA PeJP NA NA +PJ098799 GSPCCDDEM C34H53N9O17S3 955.2722 NA PeJP NA NA +PJ098800 GPPCCCDMM C35H57N9O12S5 955.2731 NA PeJP NA NA +PJ098801 SCCNNDDW C36H49N11O16S2 955.2801 NA PeJP NA NA +PJ098802 SSCCCMHW C37H53N11O11S4 955.2809 NA PeJP NA NA +PJ098803 SSSCNNDDD C32H49N11O21S 955.2825 NA PeJP NA NA +PJ098804 GGSSSCNDDD C32H49N11O21S 955.2826 NA PeJP NA NA +PJ098805 SSSSCCDMH C33H53N11O16S3 955.2834 NA PeJP NA NA +PJ098806 GGGGGGCDDMM C33H53N11O16S3 955.2835 NA PeJP NA NA +PJ098807 CCDDEWW C41H49N9O14S2 955.2841 NA PeJP NA NA +PJ098808 SCCNMMMH C34H57N11O11S5 955.2843 NA PeJP NA NA +PJ098809 SSCDDDEW C37H49N9O19S 955.2866 NA PeJP NA NA +PJ098810 SSCCCQYY C38H53N9O14S3 955.2874 NA PeJP NA NA +PJ098811 SPCCDDMW C38H53N9O14S3 955.2875 NA PeJP NA NA +PJ098812 CCCCCKFF C39H57N9O9S5 955.2883 NA PeJP NA NA +PJ098813 SSSSDDDDE C33H49N9O24 955.2891 NA PeJP NA NA +PJ098814 SSSPCCDEE C34H53N9O19S2 955.2899 NA PeJP NA NA +PJ098815 SNDDDEMM C34H53N9O19S2 955.29 NA PeJP NA NA +PJ098816 CDDDYYY C42H49N7O17S 955.2906 NA PeJP NA NA +PJ098817 PCNDDMMM C35H57N9O14S4 955.2908 NA PeJP NA NA +PJ098818 GPPCCCCHH C36H53N13O10S4 955.2922 NA PeJP NA NA +PJ098819 CCCNNDER C32H53N13O15S3 955.2947 NA PeJP NA NA +PJ098820 CDMMMYY C40H57N7O12S4 955.2948 NA PeJP NA NA +PJ098821 TCCCCMHR C33H57N13O10S5 955.2955 NA PeJP NA NA +PJ098822 CNNNDDDF C36H49N11O18S 955.2978 NA PeJP NA NA +PJ098823 GCCNNEMW C37H53N11O13S3 955.2987 NA PeJP NA NA +PJ098824 SCDDDDMR C33H53N11O18S2 955.3012 NA PeJP NA NA +PJ098825 GSSTCCMMH C34H57N11O13S4 955.302 NA PeJP NA NA +PJ098826 PCCCDEMR C34H57N11O13S4 955.3021 NA PeJP NA NA +PJ098827 CCNNNDHH C34H49N15O14S2 955.3025 NA PeJP NA NA +PJ098828 GCCCNFFY C42H53N9O11S3 955.3027 NA PeJP NA NA +PJ098829 GNDDDEEY C37H49N9O21 955.3043 NA PeJP NA NA +PJ098830 GGGDDDEEY C37H49N9O21 955.3044 NA PeJP NA NA +PJ098831 GSDDDMMW C38H53N9O16S2 955.3052 NA PeJP NA NA +PJ098832 GPCCEMMW C39H57N9O11S4 955.3061 NA PeJP NA NA +PJ098833 GSSSDDEEM C34H53N9O21S 955.3077 NA PeJP NA NA +PJ098834 GNDEEMMM C35H57N9O16S3 955.3086 NA PeJP NA NA +PJ098835 SCNDDEHH C35H49N13O17S 955.309 NA PeJP NA NA +PJ098836 GGSCDDEHH C35H49N13O17S 955.3091 NA PeJP NA NA +PJ098837 CDDMFYY C43H53N7O14S2 955.3092 NA PeJP NA NA +PJ098838 GSPPCCMMM C36H61N9O11S5 955.3094 NA PeJP NA NA +PJ098839 APPTCCCMM C36H61N9O11S5 955.3095 NA PeJP NA NA +PJ098840 GCCCNDRW C36H53N13O12S3 955.3099 NA PeJP NA NA +PJ098841 GSSCCNDDR C32H53N13O17S2 955.3124 NA PeJP NA NA +PJ098842 GSPCCCCQR C33H57N13O12S4 955.3133 NA PeJP NA NA +PJ098843 CMMMMFY C41H61N7O9S5 955.3135 NA PeJP NA NA +PJ098844 CCNNMWW C41H53N11O10S3 955.3139 NA PeJP NA NA +PJ098845 SNNNDDDY C36H49N11O20 955.3156 NA PeJP NA NA +PJ098846 SSCNNDMW C37H53N11O15S2 955.3164 NA PeJP NA NA +PJ098847 GGGGSSCDMW C37H53N11O15S2 955.3165 NA PeJP NA NA +PJ098848 PCCCCNKW C38H57N11O10S4 955.3173 NA PeJP NA NA +PJ098849 SSSSNNDDM C33H53N11O20S 955.3189 NA PeJP NA NA +PJ098850 GGGGSSSSDDM C33H53N11O20S 955.319 NA PeJP NA NA +PJ098851 NDDDEYW C41H49N9O18 955.3196 NA PeJP NA NA +PJ098852 GCDDEMMR C34H57N11O15S3 955.3198 NA PeJP NA NA +PJ098853 CCNQYYY C42H53N9O13S2 955.3204 NA PeJP NA NA +PJ098854 SCDEMWW C42H53N9O13S2 955.3205 NA PeJP NA NA +PJ098855 TCCCKMMH C35H61N11O10S5 955.3207 NA PeJP NA NA +PJ098856 PCCMMWW C43H57N9O8S4 955.3213 NA PeJP NA NA +PJ098857 SSSDDEMW C38H53N9O18S 955.323 NA PeJP NA NA +PJ098858 NDEMMMW C39H57N9O13S3 955.3238 NA PeJP NA NA +PJ098859 GSCDDHHW C39H49N13O14S 955.3243 NA PeJP NA NA +PJ098860 APCCCHHW C40H53N13O9S3 955.3252 NA PeJP NA NA +PJ098861 SSSSSDEEE C34H53N9O23 955.3255 NA PeJP NA NA +PJ098862 SSNEEEMM C35H57N9O18S2 955.3263 NA PeJP NA NA +PJ098863 GSSSDDDHH C35H49N13O19 955.3268 NA PeJP NA NA +PJ098864 SDDMYYY C43H53N7O16S 955.327 NA PeJP NA NA +PJ098865 SPNDMMMM C36H61N9O13S4 955.3272 NA PeJP NA NA +PJ098866 CCNNNNQF C36H53N13O14S2 955.3277 NA PeJP NA NA +PJ098867 CDMMFFY C44H57N7O11S3 955.3278 NA PeJP NA NA +PJ098868 GCCCMHFR C37H57N13O9S4 955.3286 NA PeJP NA NA +PJ098869 EEEEEEY C39H53N7O21 955.3295 NA PeJP NA NA +PJ098870 GSSSSSCNNN C32H53N13O19S 955.3302 NA PeJP NA NA +PJ098871 GPDDDDHW C40H49N11O17 955.3308 NA PeJP NA NA +PJ098872 SCCNNEMR C33H57N13O14S3 955.331 NA PeJP NA NA +PJ098873 GGGGSCCEMR C33H57N13O14S3 955.3311 NA PeJP NA NA +PJ098874 SMMMMYY C41H61N7O11S4 955.3312 NA PeJP NA NA +PJ098875 GSSCCQWW C41H53N11O12S2 955.3317 NA PeJP NA NA +PJ098876 GSSSSCNEW C37H53N11O17S 955.3342 NA PeJP NA NA +PJ098877 GDDDYWW C45H49N9O15 955.3349 NA PeJP NA NA +PJ098878 CDDMMRW C38H57N11O12S3 955.3351 NA PeJP NA NA +PJ098879 PCCDFWW C46H53N9O10S2 955.3357 NA PeJP NA NA +PJ098880 GSSSSSSNDE C33H53N11O22 955.3367 NA PeJP NA NA +PJ098881 SSDDDMMR C34H57N11O17S2 955.3376 NA PeJP NA NA +PJ098882 NNNNNDDH C34H49N15O18 955.338 NA PeJP NA NA +PJ098883 GGGGNNNDDH C34H49N15O18 955.3381 NA PeJP NA NA +PJ098884 GSPCDEYW C42H53N9O15S 955.3382 NA PeJP NA NA +PJ098885 SPCCEMMR C35H61N11O12S4 955.3384 NA PeJP NA NA +PJ098886 GGGGGQMMMM C35H61N11O12S4 955.3385 NA PeJP NA NA +PJ098887 GCCDEHHR C35H53N15O13S2 955.3389 NA PeJP NA NA +PJ098888 GDMMMWW C43H57N9O10S3 955.3391 NA PeJP NA NA +PJ098889 GSNEEEEY C38H53N9O20 955.3407 NA PeJP NA NA +PJ098890 GSSEEMMW C39H57N9O15S2 955.3416 NA PeJP NA NA +PJ098891 GNDDDHHF C39H49N13O16 955.3421 NA PeJP NA NA +PJ098892 CDDFFFY C47H53N7O13S 955.3422 NA PeJP NA NA +PJ098893 SCCCNDRR C32H57N15O13S3 955.3423 NA PeJP NA NA +PJ098894 GPTCMMMW C40H61N9O10S4 955.3425 NA PeJP NA NA +PJ098895 CNEMHHW C40H53N13O11S2 955.3429 NA PeJP NA NA +PJ098896 GSSSTEEEM C35H57N9O20S 955.3441 NA PeJP NA NA +PJ098897 GTQEEMMM C36H61N9O15S3 955.345 NA PeJP NA NA +PJ098898 GCNNDDRY C36H53N13O16S 955.3454 NA PeJP NA NA +PJ098899 GGGGGCDDRY C36H53N13O16S 955.3455 NA PeJP NA NA +PJ098900 GEMMYYY C44H57N7O13S2 955.3456 NA PeJP NA NA +PJ098901 GPQMMMMM C37H65N9O10S5 955.3458 NA PeJP NA NA +PJ098902 GSCCNMRW C37H57N13O11S3 955.3463 NA PeJP NA NA +PJ098903 CMMMFFF C45H61N7O8S4 955.3465 NA PeJP NA NA +PJ098904 GCNDHHHH C37H49N17O12S 955.3468 NA PeJP NA NA +PJ098905 CCHHFFY C45H53N11O9S2 955.3469 NA PeJP NA NA +PJ098906 CCNHFFW C45H53N11O9S2 955.347 NA PeJP NA NA +PJ098907 GSSSCNDMR C33H57N13O16S2 955.3488 NA PeJP NA NA +PJ098908 SSSSCNWW C41H53N11O14S 955.3494 NA PeJP NA NA +PJ098909 GGSSSSCWW C41H53N11O14S 955.3495 NA PeJP NA NA +PJ098910 GCNNMMMR C34H61N13O11S4 955.3497 NA PeJP NA NA +PJ098911 CCCQKWW C42H57N11O9S3 955.3503 NA PeJP NA NA +PJ098912 SSSSSSNDW C37H53N11O19 955.3519 NA PeJP NA NA +PJ098913 GGSSSSSSDW C37H53N11O19 955.352 NA PeJP NA NA +PJ098914 SSSNNMMW C38H57N11O14S2 955.3528 NA PeJP NA NA +PJ098915 GGGGGGGEMMF C38H57N11O14S2 955.3529 NA PeJP NA NA +PJ098916 SPCDYWW C46H53N9O12S 955.3535 NA PeJP NA NA +PJ098917 PPCCCMFR C39H61N11O9S4 955.3537 NA PeJP NA NA +PJ098918 CCDHHRW C39H53N15O10S2 955.3542 NA PeJP NA NA +PJ098919 SSSSSNQEM C34H57N11O19S 955.3553 NA PeJP NA NA +PJ098920 SNEEEYW C42H53N9O17 955.356 NA PeJP NA NA +PJ098921 GSDEMMMR C35H61N11O14S3 955.3562 NA PeJP NA NA +PJ098922 SSCDDHHR C35H53N15O15S 955.3567 NA PeJP NA NA +PJ098923 SSEMMWW C43H57N9O12S2 955.3568 NA PeJP NA NA +PJ098924 GGPDMMYW C43H57N9O12S2 955.3569 NA PeJP NA NA +PJ098925 GPCMMMMR C36H65N11O9S5 955.3571 NA PeJP NA NA +PJ098926 PTCCCHHR C36H57N15O10S3 955.3575 NA PeJP NA NA +PJ098927 GCMHHWW C44H53N13O8S2 955.3582 NA PeJP NA NA +PJ098928 SSSTEEMW C39H57N9O17S 955.3593 NA PeJP NA NA +PJ098929 GAQEEEMY C39H57N9O17S 955.3594 NA PeJP NA NA +PJ098930 GDEFYYY C47H53N7O15 955.36 NA PeJP NA NA +PJ098931 TQEMMMW C40H61N9O12S3 955.3602 NA PeJP NA NA +PJ098932 GSSDMHHW C40H53N13O13S 955.3607 NA PeJP NA NA +PJ098933 MMYYYW C48H57N7O10S2 955.3609 NA PeJP NA NA +PJ098934 SSSSTTEEE C35H57N9O22 955.3618 NA PeJP NA NA +PJ098935 SSDKEEMM C36H61N9O17S2 955.3627 NA PeJP NA NA +PJ098936 GSSSNNNNY C36H53N13O18 955.3632 NA PeJP NA NA +PJ098937 STEMYYY C44H57N7O15S 955.3634 NA PeJP NA NA +PJ098938 GVQEMMMM C37H65N9O12S4 955.3636 NA PeJP NA NA +PJ098939 SSSCCQRW C37H57N13O13S2 955.364 NA PeJP NA NA +PJ098940 GGSSTCCRW C37H57N13O13S2 955.3641 NA PeJP NA NA +PJ098941 AMMMFYY C45H61N7O10S3 955.3642 NA PeJP NA NA +PJ098942 GCNQYWW C45H53N11O11S 955.3647 NA PeJP NA NA +PJ098943 SSSSSCNER C33H57N13O18S 955.3665 NA PeJP NA NA +PJ098944 GGSSSSSCER C33H57N13O18S 955.3666 NA PeJP NA NA +PJ098945 SDDDRYW C41H53N11O16 955.3672 NA PeJP NA NA +PJ098946 SSCNQMMR C34H61N13O13S3 955.3674 NA PeJP NA NA +PJ098947 GGGGGSCCCKK C34H61N13O13S3 955.3675 NA PeJP NA NA +PJ098948 GSSCCKWW C42H57N11O11S2 955.3681 NA PeJP NA NA +PJ098949 CEFWWW C50H53N9O9S 955.3687 NA PeJP NA NA +PJ098950 GSSSSSQMW C38H57N11O16S 955.3706 NA PeJP NA NA +PJ098951 GSEEYWW C46H53N9O14 955.3712 NA PeJP NA NA +PJ098952 SDMMMRW C39H61N11O11S3 955.3714 NA PeJP NA NA +PJ098953 GSCNKMMW C39H61N11O11S3 955.3715 NA PeJP NA NA +PJ098954 GCNNQHHF C39H53N15O12S 955.3719 NA PeJP NA NA +PJ098955 GGGGGGACHHF C39H53N15O12S 955.372 NA PeJP NA NA +PJ098956 APCMYWW C47H57N9O9S2 955.3721 NA PeJP NA NA +PJ098957 GCCCCRRR C32H61N17O9S4 955.3722 NA PeJP NA NA +PJ098958 GSSSSSSTQE C34H57N11O21 955.3731 NA PeJP NA NA +PJ098959 GSSSTQQMM C35H61N11O16S2 955.3739 NA PeJP NA NA +PJ098960 SSSEEMMR C35H61N11O16S2 955.374 NA PeJP NA NA +PJ098961 GNNDDEHR C35H53N15O17 955.3744 NA PeJP NA NA +PJ098962 GGGGGDDEHR C35H53N15O17 955.3745 NA PeJP NA NA +PJ098963 AQEEMYW C43H57N9O14S 955.3746 NA PeJP NA NA +PJ098964 QEMMMMR C36H65N11O11S4 955.3748 NA PeJP NA NA +PJ098965 DFYYYW C51H53N7O12 955.3752 NA PeJP NA NA +PJ098966 GSCEMHHR C36H57N15O12S2 955.3753 NA PeJP NA NA +PJ098967 ATMMMWW C44H61N9O9S3 955.3755 NA PeJP NA NA +PJ098968 STCHHWW C44H53N13O10S 955.3759 NA PeJP NA NA +PJ098969 GGPCNHWW C44H53N13O10S 955.376 NA PeJP NA NA +PJ098970 GSDKEEEY C39H57N9O19 955.3771 NA PeJP NA NA +PJ098971 GTTTEMMW C40H61N9O14S2 955.378 NA PeJP NA NA +PJ098972 SSSSEHHW C40H53N13O15 955.3784 NA PeJP NA NA +PJ098973 GGNQEEHW C40H53N13O15 955.3785 NA PeJP NA NA +PJ098974 GPMYYYY C48H57N7O12S 955.3786 NA PeJP NA NA +PJ098975 SSCCNMRR C33H61N15O12S3 955.3787 NA PeJP NA NA +PJ098976 VQMMMMW C41H65N9O9S4 955.3788 NA PeJP NA NA +PJ098977 GGLMMMMW C41H65N9O9S4 955.3789 NA PeJP NA NA +PJ098978 CCNQFRW C41H57N13O10S2 955.3793 NA PeJP NA NA +PJ098979 SSSSSLEEM C36H61N9O19S 955.3805 NA PeJP NA NA +PJ098980 ASKEEMMM C37H65N9O14S3 955.3813 NA PeJP NA NA +PJ098981 GTKEEMMM C37H65N9O14S3 955.3814 NA PeJP NA NA +PJ098982 GSSSSSCRW C37H57N13O15S 955.3818 NA PeJP NA NA +PJ098983 GGGGGGGGSPPPC C37H57N13O15S 955.3819 NA PeJP NA NA +PJ098984 SVMMYYY C45H61N7O12S2 955.382 NA PeJP NA NA +PJ098985 GPKMMMMM C38H69N9O9S5 955.3822 NA PeJP NA NA +PJ098986 SSNNYWW C45H53N11O13 955.3825 NA PeJP NA NA +PJ098987 GTCCCKRW C38H61N13O10S3 955.3827 NA PeJP NA NA +PJ098988 GSNMHHHH C38H53N17O11S 955.3832 NA PeJP NA NA +PJ098989 PPCMHWW C46H57N11O8S2 955.3833 NA PeJP NA NA +PJ098990 GSSSSSSSDR C33H57N13O20 955.3843 NA PeJP NA NA +PJ098991 GSSSSNMMR C34H61N13O15S2 955.3852 NA PeJP NA NA +PJ098992 GDEMRYW C42H57N11O13S 955.3858 NA PeJP NA NA +PJ098993 GGGGGATMYW C42H57N11O13S 955.3859 NA PeJP NA NA +PJ098994 CEMMMRR C35H65N13O10S4 955.3861 NA PeJP NA NA +PJ098995 SEYWWW C50H53N9O11 955.3865 NA PeJP NA NA +PJ098996 CCCKKWW C43H61N11O8S3 955.3867 NA PeJP NA NA +PJ098997 SSSSSSTQW C38H57N11O18 955.3883 NA PeJP NA NA +PJ098998 GGGGSSDKEY C38H57N11O18 955.3884 NA PeJP NA NA +PJ098999 SSSCQKMW C39H61N11O13S2 955.3892 NA PeJP NA NA +PJ099000 NNDDHRW C39H53N15O14 955.3897 NA PeJP NA NA +PJ099001 AAEMYWW C47H57N9O11S 955.3899 NA PeJP NA NA +PJ099002 AMMMMRW C40H65N11O8S4 955.3901 NA PeJP NA NA +PJ099003 SCMHHRW C40H57N15O9S2 955.3905 NA PeJP NA NA +PJ099004 GPCCHHFR C40H57N15O9S2 955.3906 NA PeJP NA NA +PJ099005 DHHHHHH C40H49N19O10 955.391 NA PeJP NA NA +PJ099006 SSSSSNKEM C35H61N11O18S 955.3917 NA PeJP NA NA +PJ099007 SDKEEYW C43H57N9O16 955.3924 NA PeJP NA NA +PJ099008 GTTEMMMR C36H65N11O13S3 955.3926 NA PeJP NA NA +PJ099009 SSTCEHHR C36H57N15O14S 955.393 NA PeJP NA NA +PJ099010 SSSDMHHR C36H57N15O14S 955.3931 NA PeJP NA NA +PJ099011 TTTMMWW C44H61N9O11S2 955.3932 NA PeJP NA NA +PJ099012 GNQEHWW C44H53N13O12 955.3937 NA PeJP NA NA +PJ099013 MFFYYW C52H57N7O9S 955.3939 NA PeJP NA NA +PJ099014 STTTTEMW C40H61N9O16S 955.3957 NA PeJP NA NA +PJ099015 GAPPPEEEM C40H61N9O16S 955.3958 NA PeJP NA NA +PJ099016 GVEYYYY C48H57N7O14 955.3964 NA PeJP NA NA +PJ099017 TKEMMMW C41H65N9O11S3 955.3966 NA PeJP NA NA +PJ099018 SCNQRYW C41H57N13O12S 955.3971 NA PeJP NA NA +PJ099019 AMMFFFY C49H61N7O9S2 955.3973 NA PeJP NA NA +PJ099020 SSTTTTTEE C36H61N9O21 955.3982 NA PeJP NA NA +PJ099021 STTKEEMM C37H65N9O16S2 955.3991 NA PeJP NA NA +PJ099022 SSSNNERY C37H57N13O17 955.3996 NA PeJP NA NA +PJ099023 GVKEMMMM C38H69N9O11S4 955.4 NA PeJP NA NA +PJ099024 SSSCCKRW C38H61N13O12S2 955.4004 NA PeJP NA NA +PJ099025 GGGGQMMRY C38H61N13O12S2 955.4005 NA PeJP NA NA +PJ099026 SSSQHHHH C38H53N17O13 955.4009 NA PeJP NA NA +PJ099027 DMRYWW C46H57N11O10S 955.4011 NA PeJP NA NA +PJ099028 SSSSSSQMR C34H61N13O17S 955.4029 NA PeJP NA NA +PJ099029 SSEERYW C42H57N11O15 955.4036 NA PeJP NA NA +PJ099030 SSCNKMMR C35H65N13O12S3 955.4038 NA PeJP NA NA +PJ099031 GNNNNMHR C35H57N17O13S 955.4043 NA PeJP NA NA +PJ099032 PTCMRYW C43H61N11O10S2 955.4045 NA PeJP NA NA +PJ099033 PNEHHHW C43H53N15O11 955.4049 NA PeJP NA NA +PJ099034 GGPEHHHW C43H53N15O11 955.405 NA PeJP NA NA +PJ099035 CLYWWW C51H57N9O8S 955.4051 NA PeJP NA NA +PJ099036 GSSSSSKMW C39H61N11O15S 955.407 NA PeJP NA NA +PJ099037 ATTEYWW C47H57N9O13 955.4076 NA PeJP NA NA +PJ099038 TTMMMRW C40H65N11O10S3 955.4078 NA PeJP NA NA +PJ099039 GAPCCCKKF C40H65N11O10S3 955.4079 NA PeJP NA NA +PJ099040 GSPCNHRW C40H57N15O11S 955.4083 NA PeJP NA NA +PJ099041 GVMMFWW C48H61N9O8S2 955.4085 NA PeJP NA NA +PJ099042 NQHWWW C48H53N13O9 955.409 NA PeJP NA NA +PJ099043 ASSSSSTTTQ C35H61N11O20 955.4094 NA PeJP NA NA +PJ099044 GSSSSSSTKE C35H61N11O20 955.4095 NA PeJP NA NA +PJ099045 STTTEMMR C36H65N11O15S2 955.4103 NA PeJP NA NA +PJ099046 DDEEHRR C36H57N15O16 955.4108 NA PeJP NA NA +PJ099047 GGGGGGGGGGAAPQ C36H57N15O16 955.4109 NA PeJP NA NA +PJ099048 AKEEMYW C44H61N9O13S 955.411 NA PeJP NA NA +PJ099049 KEMMMMR C37H69N11O10S4 955.4112 NA PeJP NA NA +PJ099050 VYYYYW C52H57N7O11 955.4116 NA PeJP NA NA +PJ099051 CNNMRRY C37H61N15O11S2 955.4117 NA PeJP NA NA +PJ099052 LMMMHFF C45H65N9O8S3 955.4119 NA PeJP NA NA +PJ099053 AQMHHFW C45H57N13O9S 955.4123 NA PeJP NA NA +PJ099054 GTTKEEEY C40H61N9O18 955.4135 NA PeJP NA NA +PJ099055 SSSSSSCRR C33H61N15O16S 955.4142 NA PeJP NA NA +PJ099056 SPTLNMMY C41H65N9O13S2 955.4143 NA PeJP NA NA +PJ099057 SSTTLMMW C41H65N9O13S2 955.4144 NA PeJP NA NA +PJ099058 GSSSNRYW C41H57N13O14 955.4148 NA PeJP NA NA +PJ099059 GGGPPDDRW C41H57N13O14 955.4149 NA PeJP NA NA +PJ099060 GLMFYYY C49H61N7O11S 955.415 NA PeJP NA NA +PJ099061 STCCCKRR C34H65N15O11S3 955.4151 NA PeJP NA NA +PJ099062 VKMMMMW C42H69N9O8S4 955.4152 NA PeJP NA NA +PJ099063 CCNKFRW C42H61N13O9S2 955.4157 NA PeJP NA NA +PJ099064 NQHHHHF C42H53N17O10 955.4162 NA PeJP NA NA +PJ099065 ATTTTTTEM C37H65N9O18S 955.4168 NA PeJP NA NA +PJ099066 SSSTTTLEM C37H65N9O18S 955.4169 NA PeJP NA NA +PJ099067 SSLKEMMM C38H69N9O13S3 955.4177 NA PeJP NA NA +PJ099068 SDEMRRY C38H61N13O14S 955.4182 NA PeJP NA NA +PJ099069 PTTEHWW C46H57N11O12 955.4188 NA PeJP NA NA +PJ099070 GLEEHWW C46H57N11O12 955.4189 NA PeJP NA NA +PJ099071 PCMMRRY C39H65N13O9S3 955.4191 NA PeJP NA NA +PJ099072 GTCKHHHH C39H57N17O10S 955.4196 NA PeJP NA NA +PJ099073 MMFRWW C47H61N11O7S2 955.4197 NA PeJP NA NA +PJ099074 GPHHHWW C47H53N15O8 955.4202 NA PeJP NA NA +PJ099075 GSSSSSSTTR C34H61N13O19 955.4207 NA PeJP NA NA +PJ099076 GSSSTCKMR C35H65N13O14S2 955.4216 NA PeJP NA NA +PJ099077 SSNNNQHR C35H57N17O15 955.422 NA PeJP NA NA +PJ099078 GSNDDHRR C35H57N17O15 955.4221 NA PeJP NA NA +PJ099079 ATEMRYW C43H61N11O12S 955.4222 NA PeJP NA NA +PJ099080 GGGGGGGLMFF C43H61N11O12S 955.4223 NA PeJP NA NA +PJ099081 TMMMMRR C36H69N13O9S4 955.4224 NA PeJP NA NA +PJ099082 GCCKKMMR C36H69N13O9S4 955.4225 NA PeJP NA NA +PJ099083 AAPYYWW C51H57N9O10 955.4229 NA PeJP NA NA +PJ099084 ACHHFRW C44H57N15O8S 955.4236 NA PeJP NA NA +PJ099085 SSSSSSTKW C39H61N11O17 955.4247 NA PeJP NA NA +PJ099086 GGGGPPKEEE C39H61N11O17 955.4248 NA PeJP NA NA +PJ099087 SSSCKKMW C40H65N11O12S2 955.4256 NA PeJP NA NA +PJ099088 SNQEHRW C40H57N15O13 955.4261 NA PeJP NA NA +PJ099089 GTLMYWW C48H61N9O10S 955.4262 NA PeJP NA NA +PJ099090 GGPVMFYW C48H61N9O10S 955.4263 NA PeJP NA NA +PJ099091 FFFFYW C56H57N7O8 955.4269 NA PeJP NA NA +PJ099092 SSSSSDKKM C36H65N11O17S 955.4281 NA PeJP NA NA +PJ099093 TTKEEYW C44H61N9O15 955.4287 NA PeJP NA NA +PJ099094 GPPLEEEW C44H61N9O15 955.4288 NA PeJP NA NA +PJ099095 SSTLMMMR C37H69N11O12S3 955.429 NA PeJP NA NA +PJ099096 GSSCQRRY C37H61N15O13S 955.4294 NA PeJP NA NA +PJ099097 GGAAQEMHR C37H61N15O13S 955.4295 NA PeJP NA NA +PJ099098 PTKMMYW C45H65N9O10S2 955.4296 NA PeJP NA NA +PJ099099 GNKEHWW C45H57N13O11 955.4301 NA PeJP NA NA +PJ099100 AMFFFFF C53H61N7O8S 955.4303 NA PeJP NA NA +PJ099101 KKEEEMY C41H65N9O15S 955.4321 NA PeJP NA NA +PJ099102 ATLYYYY C49H61N7O13 955.4328 NA PeJP NA NA +PJ099103 GPVKMMMY C42H69N9O10S3 955.433 NA PeJP NA NA +PJ099104 SCNKRYW C42H61N13O11S 955.4334 NA PeJP NA NA +PJ099105 GGSCKRYW C42H61N13O11S 955.4335 NA PeJP NA NA +PJ099106 LEHWWW C50H57N11O9 955.4341 NA PeJP NA NA +PJ099107 TTTTTTTTE C37H65N9O20 955.4346 NA PeJP NA NA +PJ099108 SSSSTLLMM C38H69N9O15S2 955.4355 NA PeJP NA NA +PJ099109 SSSTQQRY C38H61N13O16 955.4359 NA PeJP NA NA +PJ099110 SSSNDKRY C38H61N13O16 955.436 NA PeJP NA NA +PJ099111 ATLKMMMM C39H73N9O10S4 955.4364 NA PeJP NA NA +PJ099112 AEMMRRY C39H65N13O11S2 955.4368 NA PeJP NA NA +PJ099113 GGGGPPPMMR C39H65N13O11S2 955.4369 NA PeJP NA NA +PJ099114 GSPEHHHR C39H57N17O12 955.4373 NA PeJP NA NA +PJ099115 SPLMHWW C47H61N11O9S 955.4375 NA PeJP NA NA +PJ099116 SSSSSSKMR C35H65N13O16S 955.4393 NA PeJP NA NA +PJ099117 TTTERYW C43H61N11O14 955.44 NA PeJP NA NA +PJ099118 STCCKKMR C36H69N13O11S3 955.4402 NA PeJP NA NA +PJ099119 NNEMHRR C36H61N17O12S 955.4407 NA PeJP NA NA +PJ099120 GLMMRYW C44H65N11O9S2 955.4409 NA PeJP NA NA +PJ099121 GSQHRWW C44H57N15O10 955.4413 NA PeJP NA NA +PJ099122 TKEEMRY C40H65N11O14S 955.4433 NA PeJP NA NA +PJ099123 GSTLEMRY C40H65N11O14S 955.4434 NA PeJP NA NA +PJ099124 STTLYWW C48H61N9O12 955.444 NA PeJP NA NA +PJ099125 PKMMMRY C41H69N11O9S3 955.4442 NA PeJP NA NA +PJ099126 AQQMHRW C41H61N15O10S 955.4447 NA PeJP NA NA +PJ099127 NKHWWW C49H57N13O8 955.4453 NA PeJP NA NA +PJ099128 GGKHWWW C49H57N13O8 955.4454 NA PeJP NA NA +PJ099129 SSSSSSSSLK C36H65N11O19 955.4458 NA PeJP NA NA +PJ099130 GSSSTKKMM C37H69N11O14S2 955.4467 NA PeJP NA NA +PJ099131 SSSSNRRY C37H61N15O15 955.4472 NA PeJP NA NA +PJ099132 SLKEMYW C45H65N9O12S 955.4474 NA PeJP NA NA +PJ099133 GCKKKMMM C38H73N11O9S4 955.4476 NA PeJP NA NA +PJ099134 GLFFFYY C53H61N7O10 955.448 NA PeJP NA NA +PJ099135 CCQKRRY C38H65N15O10S2 955.4481 NA PeJP NA NA +PJ099136 NQQHHHR C38H57N19O11 955.4485 NA PeJP NA NA +PJ099137 GGGAQHHHR C38H57N19O11 955.4486 NA PeJP NA NA +PJ099138 AKMHHFW C46H61N13O8S 955.4487 NA PeJP NA NA +PJ099139 SSTLKEEY C41H65N9O17 955.4499 NA PeJP NA NA +PJ099140 SSPLKMMY C42H69N9O12S2 955.4507 NA PeJP NA NA +PJ099141 AALKEMMY C42H69N9O12S2 955.4508 NA PeJP NA NA +PJ099142 SLEEHRW C42H61N13O13 955.4512 NA PeJP NA NA +PJ099143 GGGGGGGAAPLW C42H61N13O13 955.4513 NA PeJP NA NA +PJ099144 CNDHRRR C35H61N19O11S 955.4519 NA PeJP NA NA +PJ099145 PVMMHRW C43H65N13O8S2 955.4521 NA PeJP NA NA +PJ099146 SPHHHRW C43H57N17O9 955.4526 NA PeJP NA NA +PJ099147 STTTTTTLM C38H69N9O17S 955.4532 NA PeJP NA NA +PJ099148 TTTLKMMM C39H73N9O12S3 955.4541 NA PeJP NA NA +PJ099149 TTEMRRY C39H65N13O13S 955.4546 NA PeJP NA NA +PJ099150 SVLEHWW C47H61N11O11 955.4552 NA PeJP NA NA +PJ099151 GGPPKEWW C47H61N11O11 955.4553 NA PeJP NA NA +PJ099152 CLMMFRR C40H69N13O8S3 955.4555 NA PeJP NA NA +PJ099153 GNMHRRW C40H61N17O9S 955.4559 NA PeJP NA NA +PJ099154 GSSQEHRR C36H61N17O14 955.4584 NA PeJP NA NA +PJ099155 GGGGGPNERR C36H61N17O14 955.4585 NA PeJP NA NA +PJ099156 STLMRYW C44H65N11O11S 955.4586 NA PeJP NA NA +PJ099157 AALFYWW C52H61N9O9 955.4593 NA PeJP NA NA +PJ099158 SSTTLERY C40H65N11O16 955.4611 NA PeJP NA NA +PJ099159 VKEMMRY C41H69N11O11S2 955.462 NA PeJP NA NA +PJ099160 SNKEHRW C41H61N15O12 955.4624 NA PeJP NA NA +PJ099161 GGSKEHRW C41H61N15O12 955.4625 NA PeJP NA NA +PJ099162 PCLKFYW C49H65N9O9S 955.4626 NA PeJP NA NA +MJ098586 Liposidomycin; Liposidomycin A-I, 10,11-Dihydro, desulfo C44H69N5O18 955.46376 NA MeJP NA NA +PJ099163 SSSSTTKKM C37H69N11O16S 955.4645 NA PeJP NA NA +PJ099164 SSSTLLYW C45H65N9O14 955.4651 NA PeJP NA NA +PJ099165 GAPPPLEEF C45H65N9O14 955.4652 NA PeJP NA NA +PJ099166 STCKKKMM C38H73N11O11S3 955.4654 NA PeJP NA NA +PJ099167 GSSCKRRY C38H65N15O12S 955.4658 NA PeJP NA NA +PJ099168 GGGGGAPPCKR C38H65N15O12S 955.4659 NA PeJP NA NA +PJ099169 VVKMMYW C46H69N9O9S2 955.466 NA PeJP NA NA +PJ099170 SPPQRWW C46H61N13O10 955.4665 NA PeJP NA NA +PJ099171 ATTLKEMY C42H69N9O14S 955.4685 NA PeJP NA NA +PJ099172 GVLKMMMF C43H73N9O9S3 955.4694 NA PeJP NA NA +PJ099173 CLLEHRW C43H65N13O10S 955.4698 NA PeJP NA NA +PJ099174 VVEMHRW C43H65N13O10S 955.4699 NA PeJP NA NA +PJ099175 GPPKWWW C51H61N11O8 955.4705 NA PeJP NA NA +PJ099176 SSSTQKRY C39H65N13O15 955.4723 NA PeJP NA NA +PJ099177 VVTTDEHR C39H65N13O15 955.4724 NA PeJP NA NA +PJ099178 SLMMRRY C40H69N13O10S2 955.4732 NA PeJP NA NA +PJ099179 SSQHRRW C40H61N17O11 955.4737 NA PeJP NA NA +PJ099180 ALLMHWW C48H65N11O8S 955.4739 NA PeJP NA NA +PJ099181 GSSTKKYW C44H65N11O13 955.4764 NA PeJP NA NA +PJ099182 GPPCDRRR C37H65N17O11S 955.4771 NA PeJP NA NA +PJ099183 PKMMFFR C45H69N11O8S2 955.4772 NA PeJP NA NA +PJ099184 GSKHRWW C45H61N15O9 955.4777 NA PeJP NA NA +PJ099185 SSSLLMRY C41H69N11O13S 955.4797 NA PeJP NA NA +PJ099186 PPVVEEMR C41H69N11O13S 955.4798 NA PeJP NA NA +PJ099187 SPLKYYW C49H65N9O11 955.4804 NA PeJP NA NA +PJ099188 LKMMMFR C42H73N11O8S3 955.4806 NA PeJP NA NA +PJ099189 PPNMRRW C42H65N15O9S 955.4811 NA PeJP NA NA +PJ099190 AAPQEERR C38H65N15O14 955.4836 NA PeJP NA NA +PJ099191 APPLLEMW C46H69N9O11S 955.4838 NA PeJP NA NA +PJ099192 CCKKRRY C39H69N15O9S2 955.4845 NA PeJP NA NA +PJ099193 VDHHHRR C39H61N19O10 955.4849 NA PeJP NA NA +PJ099194 TTTTLKEY C42H69N9O16 955.4863 NA PeJP NA NA +PJ099195 GTLLKMMY C43H73N9O11S2 955.4871 NA PeJP NA NA +PJ099196 GSPPKERW C43H65N13O12 955.4876 NA PeJP NA NA +PJ099197 SNMHRRR C36H65N19O10S 955.4883 NA PeJP NA NA +PJ099198 ALHHHRW C44H61N17O8 955.4889 NA PeJP NA NA +PJ099199 GHHFFRR C44H61N17O8 955.489 NA PeJP NA NA +PJ099200 GSSKKMRY C40H69N13O12S 955.491 NA PeJP NA NA +PJ099201 TTLLHWW C48H65N11O10 955.4916 NA PeJP NA NA +PJ099202 ACKHRRW C41H65N17O8S 955.4923 NA PeJP NA NA +PJ099203 PNEERRR C37H65N17O13 955.4948 NA PeJP NA NA +PJ099204 TCKKKYW C45H69N11O10S 955.495 NA PeJP NA NA +PJ099205 VLHFFFF C53H65N9O8 955.4956 NA PeJP NA NA +PJ099206 TTTTTLRY C41H69N11O15 955.4975 NA PeJP NA NA +PJ099207 QKKKMMY C42H73N11O10S2 955.4984 NA PeJP NA NA +PJ099208 PVNERRW C42H65N15O11 955.4988 NA PeJP NA NA +PJ099209 GGPVERRW C42H65N15O11 955.4989 NA PeJP NA NA +PJ099210 VVKMFFW C50H69N9O8S 955.499 NA PeJP NA NA +PJ099211 GPLLLEEW C46H69N9O13 955.5015 NA PeJP NA NA +PJ099212 GPPDKMRR C39H69N15O11S 955.5022 NA PeJP NA NA +PJ099213 SPPKRWW C47H65N13O9 955.5029 NA PeJP NA NA +PJ099214 STTLLKMY C43H73N9O13S 955.5049 NA PeJP NA NA +PJ099215 GSSTHRRR C36H65N19O12 955.5061 NA PeJP NA NA +PJ099216 TLLMHRW C44H69N13O9S 955.5062 NA PeJP NA NA +PJ099217 SSSTKKRY C40H69N13O14 955.5087 NA PeJP NA NA +PJ099218 GGAPLKEER C40H69N13O14 955.5088 NA PeJP NA NA +PJ099219 CKKKMRY C41H73N13O9S2 955.5096 NA PeJP NA NA +PJ099220 GPERRRW C41H65N17O10 955.5101 NA PeJP NA NA +PJ099221 SPPTLQKW C45H69N11O12 955.5127 NA PeJP NA NA +PJ099222 SSTLLLHW C45H69N11O12 955.5128 NA PeJP NA NA +PJ099223 TQKMHRR C38H69N17O10S 955.5134 NA PeJP NA NA +PJ099224 GSPPMRRR C38H69N17O10S 955.5135 NA PeJP NA NA +PJ099225 GPVRRWW C46H65N15O8 955.5141 NA PeJP NA NA +PJ099226 GTTKKKMY C42H73N11O12S 955.5161 NA PeJP NA NA +PJ099227 GGGGAAPLLLM C42H73N11O12S 955.5162 NA PeJP NA NA +PJ099228 PLLLEWW C50H69N9O10 955.5168 NA PeJP NA NA +PJ099229 AKKMHRW C43H69N15O8S 955.5175 NA PeJP NA NA +PJ099230 AAPKEERR C39H69N15O13 955.52 NA PeJP NA NA +PJ099231 SPPLLLMW C47H73N9O10S 955.5202 NA PeJP NA NA +PJ099232 LLMMHRR C40H73N15O8S2 955.5208 NA PeJP NA NA +PJ099233 GQHFRRR C40H65N19O9 955.5213 NA PeJP NA NA +PJ099234 SSPPTLLLE C43H73N9O15 955.5226 NA PeJP NA NA +PJ099235 PVLLKEEE C43H73N9O15 955.5227 NA PeJP NA NA +PJ099236 AAPPLLLMM C44H77N9O10S2 955.5235 NA PeJP NA NA +PJ099237 PLQKERW C44H69N13O11 955.524 NA PeJP NA NA +PJ099238 TCKHRRR C37H69N19O9S 955.5247 NA PeJP NA NA +PJ099239 PRRRWW C45H65N17O7 955.5253 NA PeJP NA NA +3985 NA GMNRRPIL 955.5263 opioid Inhouse_peptide NA peptide +PJ099240 SSLLLMHR C41H73N13O11S 955.5274 NA PeJP NA NA +PJ099241 PVLQKWW C49H69N11O9 955.528 NA PeJP NA NA +PJ099242 PDKERRR C38H69N17O12 955.5312 NA PeJP NA NA +PJ099243 GPPLKKMW C46H73N11O9S 955.5314 NA PeJP NA NA +PJ099244 STTTKKKY C42H73N11O14 955.5339 NA PeJP NA NA +PJ099245 KKKKMMY C43H77N11O9S2 955.5348 NA PeJP NA NA +PJ099246 PVDKRRW C43H69N15O10 955.5352 NA PeJP NA NA +PJ099247 SPVLLLEW C47H73N9O12 955.5379 NA PeJP NA NA +PJ099248 APPTKMRR C40H73N15O10S 955.5386 NA PeJP NA NA +PJ099249 VVLHFRW C48H69N13O8 955.5392 NA PeJP NA NA +PJ099250 APLKRWW C48H69N13O8 955.5393 NA PeJP NA NA +PJ099251 PLLLLQEM C44H77N9O12S 955.5413 NA PeJP NA NA +PJ099252 SPERRRR C37H69N19O11 955.5424 NA PeJP NA NA +PJ099253 GGGGLQRRR C37H69N19O11 955.5425 NA PeJP NA NA +PJ099254 VKKKMHW C45H73N13O8S 955.5426 NA PeJP NA NA +PJ099255 GPLKKEER C41H73N13O13 955.5451 NA PeJP NA NA +PJ099256 GGGGGGGALLLK C41H73N13O13 955.5452 NA PeJP NA NA +PJ099257 SPVRRRW C42H69N17O9 955.5465 NA PeJP NA NA +PJ099258 SPPTLKKW C46H73N11O11 955.5491 NA PeJP NA NA +PJ099259 GPVLKKEW C46H73N11O11 955.5492 NA PeJP NA NA +PJ099260 PLQMRRR C39H73N17O9S 955.5498 NA PeJP NA NA +PJ099261 PVVLLEMR C43H77N11O11S 955.5525 NA PeJP NA NA +PJ099262 APPLLLFW C51H73N9O9 955.5532 NA PeJP NA NA +PJ099263 GQQRRRR C36H69N21O10 955.5537 NA PeJP NA NA +PJ099264 SSPLLQRR C40H73N15O12 955.5563 NA PeJP NA NA +PJ099265 GPTLKERR C40H73N15O12 955.5564 NA PeJP NA NA +PJ099266 APLLLLMW C48H77N9O9S 955.5565 NA PeJP NA NA +PJ099267 GKHFRRR C41H69N19O8 955.5577 NA PeJP NA NA +PJ099268 VLLLLQEE C44H77N9O14 955.559 NA PeJP NA NA +PJ099269 GGLLLLLEE C44H77N9O14 955.5591 NA PeJP NA NA +PJ099270 PLKKERW C45H73N13O10 955.5604 NA PeJP NA NA +PJ099271 PCLRRRR C38H73N19O8S 955.5611 NA PeJP NA NA +PJ099272 SPPLKKMR C42H77N13O10S 955.5638 NA PeJP NA NA +PJ099273 PVLKKWW C50H73N11O8 955.5644 NA PeJP NA NA +PJ099274 VLQERRR C39H73N17O11 955.5676 NA PeJP NA NA +PJ099275 KKKKMFF C47H77N11O8S 955.5678 NA PeJP NA NA +PJ099276 ALLLLEER C43H77N11O13 955.5703 NA PeJP NA NA +PJ099277 PTLKRRW C44H73N15O9 955.5716 NA PeJP NA NA +PJ099278 GLLLLLEW C48H77N9O11 955.5743 NA PeJP NA NA +PJ099279 GPVLKMRR C41H77N15O9S 955.575 NA PeJP NA NA +PJ099280 PLLLLKEM C45H81N9O11S 955.5777 NA PeJP NA NA +PJ099281 ALERRRR C38H73N19O10 955.5788 NA PeJP NA NA +PJ099282 SPVLKKER C42H77N13O12 955.5815 NA PeJP NA NA +PJ099283 AVLRRRW C43H73N17O8 955.5828 NA PeJP NA NA +PJ099284 GLLRRRW C43H73N17O8 955.5829 NA PeJP NA NA +PJ099285 APTLLKKW C47H77N11O10 955.5855 NA PeJP NA NA +PJ099286 PLKMRRR C40H77N17O8S 955.5862 NA PeJP NA NA +PJ099287 PTLLLLMR C44H81N11O10S 955.5889 NA PeJP NA NA +PJ099288 LLLLLWW C52H77N9O8 955.5896 NA PeJP NA NA +PJ099289 GQKRRRR C37H73N21O9 955.5901 NA PeJP NA NA +PJ099290 SSPLLKRR C41H77N15O11 955.5927 NA PeJP NA NA +PJ099291 AALLKERR C41H77N15O11 955.5928 NA PeJP NA NA +3667 NA KKFHLRK 955.593 ACE inhibitor Inhouse_peptide NA peptide +PJ099292 VLLLLKEE C45H81N9O13 955.5954 NA PeJP NA NA +PJ099293 LLLQKRW C46H77N13O9 955.5968 NA PeJP NA NA +PJ099294 APLLKKMR C43H81N13O9S 955.6001 NA PeJP NA NA +PJ099295 VLKERRR C40H77N17O10 955.604 NA PeJP NA NA +PJ099296 SLLLLLER C44H81N11O12 955.6067 NA PeJP NA NA +PJ099297 VVLKRRW C45H77N15O8 955.608 NA PeJP NA NA +PJ099298 SVLLLLLW C49H81N9O10 955.6107 NA PeJP NA NA +PJ099299 LLLLLLQM C46H85N9O10S 955.6141 NA PeJP NA NA +PJ099300 SLLRRRR C39H77N19O9 955.6152 NA PeJP NA NA +PJ099301 GLLLKKER C43H81N13O11 955.6179 NA PeJP NA NA +PJ099302 GVLLLKKW C48H81N11O9 955.6219 NA PeJP NA NA +PJ099303 VVLLLLMR C45H85N11O9S 955.6253 NA PeJP NA NA +PJ099304 GKKRRRR C38H77N21O8 955.6265 NA PeJP NA NA +PJ099305 GTLLLKRR C42H81N15O10 955.6291 NA PeJP NA NA +PJ099306 GTTLLLLLL C46H85N9O12 955.6318 NA PeJP NA NA +PJ099307 LLLKKRW C47H81N13O8 955.6331 NA PeJP NA NA +PJ099308 LQKKKRR C41H81N17O9 955.6404 NA PeJP NA NA +PJ099309 VVLLKKKE C45H85N11O11 955.643 NA PeJP NA NA +PJ099310 AAVTIILKK C45H85N11O11 955.6431 NA PeJP NA NA +PJ099311 PLLLLLKF C50H85N9O9 955.6471 NA PeJP NA NA +PJ099312 LLLLLLKM C47H89N9O9S 955.6504 NA PeJP NA NA +PJ099313 SVLLLKKR C44H85N13O10 955.6543 NA PeJP NA NA +PJ099314 GVLKKKKR C43H85N15O9 955.6655 NA PeJP NA NA +PJ099315 LKKKKRR C42H85N17O8 955.6767 NA PeJP NA NA +PJ099316 TLLLLKKK C46H89N11O10 955.6794 NA PeJP NA NA +PJ099317 ALLKKKKK C45H89N13O9 955.6907 NA PeJP NA NA +HMDB08783 PC(24:0/24:1(15Z)) C56H110NO8P 955.796936 NA HMDB2010 NA NA +HMDB08815 PC(24:1(15Z)/24:0) C56H110NO8P 955.796936 NA HMDB2010 NA NA +2596 tachylepsin III from homocytes of horse shoe crab KWCFRVCYRGICYRRCRG 956.03295 MH2+ Inhouse_peptide NA peptide +MJ098587 Chebulinic acid C41H32O27 956.113095 NA MeJP NA NA +C10215 Chebulinic acid C41H32O27 956.1131 NA KEGG NA NA +PJ099318 CCCCCCCCN C28H48N10O11S8 956.127 NA PeJP NA NA +PJ099319 CCCCCEMY C34H52N8O12S6 956.2029 NA PeJP NA NA +PJ099320 GCCCCCNDH C31H48N12O13S5 956.2068 NA PeJP NA NA +MJ098588 PRE C44H44O24 956.222252 NA MeJP NA NA +MJ098589 Precarthamin C44H44O24 956.222252 NA MeJP NA NA +PJ099321 CCCDDMMH C33H52N10O13S5 956.2319 NA PeJP NA NA +PJ099322 PCCCCCYY C38H52N8O11S5 956.2359 NA PeJP NA NA +PJ099323 CCCCCEFF C38H52N8O11S5 956.236 NA PeJP NA NA +PJ099324 CDDDDDEM C33H48N8O21S2 956.2376 NA PeJP NA NA +PJ099325 TCCCCMMY C35H56N8O11S6 956.2393 NA PeJP NA NA +PJ099326 GCCCNNNDD C31H48N12O17S3 956.2423 NA PeJP NA NA +PJ099327 GSCCCCNMH C32H52N12O12S5 956.2432 NA PeJP NA NA +PJ099328 CCCDDDHF C36H48N10O15S3 956.2463 NA PeJP NA NA +PJ099329 GSCCNDDDE C32H48N10O20S2 956.2488 NA PeJP NA NA +PJ099330 GPCCCNDDM C33H52N10O15S4 956.2497 NA PeJP NA NA +PJ099331 CCCCDHHH C34H48N14O11S4 956.251 NA PeJP NA NA +PJ099332 GCCCDMYY C38H52N8O13S4 956.2537 NA PeJP NA NA +PJ099333 SSSCCCCQH C32H52N12O14S4 956.2609 NA PeJP NA NA +PJ099334 SCCNDDDW C36H48N10O17S2 956.2641 NA PeJP NA NA +PJ099335 PCCCCNEW C37H52N10O12S4 956.2649 NA PeJP NA NA +PJ099336 SSSCNDDDD C32H48N10O22S 956.2666 NA PeJP NA NA +PJ099337 CNNDDDMM C33H52N10O17S3 956.2674 NA PeJP NA NA +PJ099338 GGCNDDDMM C33H52N10O17S3 956.2675 NA PeJP NA NA +PJ099339 SCCDMMMH C34H56N10O12S5 956.2683 NA PeJP NA NA +PJ099340 PCDDDDDY C37H48N8O20S 956.2706 NA PeJP NA NA +PJ099341 SSCCCEYY C38H52N8O15S3 956.2715 NA PeJP NA NA +PJ099342 GCCCMMFY C39H56N8O10S5 956.2723 NA PeJP NA NA +MJ098590 Sucrose; 6-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 1',3',6'-tris-O-(4-hydroxy-E-cinnamoyl) C49H48O20 956.273893 NA MeJP NA NA +PJ099343 SDDDDEMM C34H52N8O20S2 956.274 NA PeJP NA NA +PJ099344 PCDDDMMM C35H56N8O15S4 956.2748 NA PeJP NA NA +PJ099345 CCCCNQHF C36H52N12O11S4 956.2762 NA PeJP NA NA +PJ099346 CCCNDDER C32H52N12O16S3 956.2787 NA PeJP NA NA +PJ099347 GTCCCCCKH C33H56N12O11S5 956.2795 NA PeJP NA NA +PJ099348 GPCCCCWW C41H52N10O9S4 956.2802 NA PeJP NA NA +PJ099349 CNNDDDDF C36H48N10O19S 956.2818 NA PeJP NA NA +PJ099350 GGGGCDDDDF C36H48N10O19S 956.2819 NA PeJP NA NA +PJ099351 GCCNDEMW C37H52N10O14S3 956.2827 NA PeJP NA NA +PJ099352 GSSCNDDEM C33H52N10O19S2 956.2852 NA PeJP NA NA +PJ099353 GSPCCNDMM C34H56N10O14S4 956.2861 NA PeJP NA NA +PJ099354 CCNNDDHH C34H48N14O15S2 956.2865 NA PeJP NA NA +PJ099355 GGCCNDDHH C34H48N14O15S2 956.2866 NA PeJP NA NA +PJ099356 GCCCDFFY C42H52N8O12S3 956.2867 NA PeJP NA NA +PJ099357 ACCMMMMH C35H60N10O9S6 956.2869 NA PeJP NA NA +PJ099358 SCCCMHHH C35H52N14O10S4 956.2874 NA PeJP NA NA +PJ099359 GDDDDEEY C37H48N8O22 956.2884 NA PeJP NA NA +PJ099360 PCDDDDMF C38H52N8O17S2 956.2892 NA PeJP NA NA +PJ099361 GSCCMMYY C39H56N8O12S4 956.2901 NA PeJP NA NA +PJ099362 GDDEEMMM C35H56N8O17S3 956.2926 NA PeJP NA NA +PJ099363 SCDDDEHH C35H48N12O18S 956.2931 NA PeJP NA NA +PJ099364 GCCCDDRW C36H52N12O13S3 956.2939 NA PeJP NA NA +PJ099365 GGGGGGTCCCW C36H52N12O13S3 956.294 NA PeJP NA NA +MJ098591 Naamidine A; O11-Me, Zn complex C48H48N10O8Zn 956.294805 NA MeJP NA NA +PJ099366 GSSCCDDDR C32H52N12O18S2 956.2964 NA PeJP NA NA +PJ099367 GGGGGGSSSCCE C32H52N12O18S2 956.2965 NA PeJP NA NA +PJ099368 GSPCCCCER C33H56N12O13S4 956.2973 NA PeJP NA NA +PJ099369 CCNDMWW C41H52N10O11S3 956.2979 NA PeJP NA NA +PJ099370 GGCCDMWW C41H52N10O11S3 956.298 NA PeJP NA NA +PJ099371 SNNDDDDY C36H48N10O21 956.2996 NA PeJP NA NA +PJ099372 SSCNDDMW C37H52N10O16S2 956.3005 NA PeJP NA NA +PJ099373 SPCCCQMW C38H56N10O11S4 956.3013 NA PeJP NA NA +PJ099374 SSSSNDDDM C33H52N10O21S 956.3029 NA PeJP NA NA +PJ099375 GGSSSSDDDM C33H52N10O21S 956.303 NA PeJP NA NA +PJ099376 DDDDEYW C41H48N8O19 956.3036 NA PeJP NA NA +PJ099377 SNNDDMMM C34H56N10O16S3 956.3038 NA PeJP NA NA +PJ099378 CCNEYYY C42H52N8O14S2 956.3045 NA PeJP NA NA +PJ099379 SSCMMMMH C35H60N10O11S5 956.3047 NA PeJP NA NA +PJ099380 GSPCCCNHH C35H52N14O12S3 956.3052 NA PeJP NA NA +PJ099381 GCCCMFFF C43H56N8O9S4 956.3054 NA PeJP NA NA +PJ099382 SPDDDDMY C38H52N8O19S 956.307 NA PeJP NA NA +PJ099383 SSTCCMYY C39H56N8O14S3 956.3078 NA PeJP NA NA +PJ099384 DDEMMMW C39H56N8O14S3 956.3079 NA PeJP NA NA +PJ099385 CCCNNNMR C32H56N14O12S4 956.3085 NA PeJP NA NA +PJ099386 GGGGCCCNMR C32H56N14O12S4 956.3086 NA PeJP NA NA +PJ099387 SSDEEEMM C35H56N8O19S2 956.3104 NA PeJP NA NA +PJ099388 SPDDMMMM C36H60N8O14S4 956.3112 NA PeJP NA NA +PJ099389 GSSSCCNNW C36H52N12O15S2 956.3117 NA PeJP NA NA +PJ099390 SPCCCCRW C37H56N12O10S4 956.3126 NA PeJP NA NA +PJ099391 ACCCWWW C45H52N10O8S3 956.3132 NA PeJP NA NA +PJ099392 GSSSSSCNND C32H52N12O20S 956.3142 NA PeJP NA NA +PJ099393 SCCNDEMR C33H56N12O15S3 956.3151 NA PeJP NA NA +PJ099394 GSSCCEWW C41H52N10O13S2 956.3157 NA PeJP NA NA +PJ099395 PCCCNMMR C34H60N12O10S5 956.3159 NA PeJP NA NA +FL5FAAGI0013 Hexandraside C C43H56O24 956.31615 137218-01-0 knapsack NA NA +MJ098592 3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C43H56O24 956.316152 NA MeJP NA NA +PJ099396 CCMMHFW C42H56N10O8S4 956.3166 NA PeJP NA NA +PJ099397 GSSSSCDEW C37H52N10O18S 956.3182 NA PeJP NA NA +PJ099398 GSCNEMMW C38H56N10O13S3 956.3191 NA PeJP NA NA +PJ099399 GCCYYYW C46H52N8O11S2 956.3197 NA PeJP NA NA +PJ099400 ACCCHHHF C39H52N14O9S3 956.3204 NA PeJP NA NA +PJ099401 GSSSSSSDDE C33H52N10O23 956.3207 NA PeJP NA NA +PJ099402 GSSSNDEMM C34H56N10O18S2 956.3216 NA PeJP NA NA +PJ099403 NNNNDDDH C34H48N14O19 956.3221 NA PeJP NA NA +PJ099404 DDDEMFW C42H52N8O16S 956.3222 NA PeJP NA NA +PJ099405 ACNQEMMM C35H60N10O13S4 956.3224 NA PeJP NA NA +PJ099406 GNNEMMMM C35H60N10O13S4 956.3225 NA PeJP NA NA +PJ099407 SCNNDMHH C35H52N14O14S2 956.3229 NA PeJP NA NA +PJ099408 CCQMFYY C43H56N8O11S3 956.3231 NA PeJP NA NA +PJ099409 GSDEEEEY C38H52N8O21 956.3247 NA PeJP NA NA +PJ099410 GPDDEMMY C39H56N8O16S2 956.3256 NA PeJP NA NA +PJ099411 GDDDDHHF C39H48N12O17 956.3261 NA PeJP NA NA +PJ099412 SCCCDDRR C32H56N14O14S3 956.3263 NA PeJP NA NA +PJ099413 PPCCEMMF C40H60N8O11S4 956.3265 NA PeJP NA NA +PJ099414 GCCNNNFW C40H52N12O12S2 956.3269 NA PeJP NA NA +PJ099415 GGGCCNNFW C40H52N12O12S2 956.327 NA PeJP NA NA +PJ099416 GTEEEMMM C36H60N8O16S3 956.329 NA PeJP NA NA +PJ099417 SCNNNNEY C36H52N12O17S 956.3294 NA PeJP NA NA +PJ099418 GCNDDDRY C36H52N12O17S 956.3295 NA PeJP NA NA +PJ099419 GPEMMMMM C37H64N8O11S5 956.3299 NA PeJP NA NA +PJ099420 GSCCDMRW C37H56N12O12S3 956.3303 NA PeJP NA NA +PJ099421 GCDDHHHH C37H48N16O13S 956.3308 NA PeJP NA NA +PJ099422 SSCCWWW C45H52N10O10S2 956.331 NA PeJP NA NA +PJ099423 GSSSCDDMR C33H56N12O17S2 956.3328 NA PeJP NA NA +PJ099424 SSSSCDWW C41H52N10O15S 956.3335 NA PeJP NA NA +PJ099425 GCNDMMMR C34H60N12O12S4 956.3337 NA PeJP NA NA +PJ099426 SCNMMWW C42H56N10O10S3 956.3343 NA PeJP NA NA +PJ099427 GGGPCCMFW C42H56N10O10S3 956.3344 NA PeJP NA NA +PJ099428 SSSSSSDDW C37H52N10O20 956.336 NA PeJP NA NA +PJ099429 SSSNDMMW C38H56N10O15S2 956.3368 NA PeJP NA NA +PJ099430 GGGGSPCEMY C38H56N10O15S2 956.3369 NA PeJP NA NA +PJ099431 NNMMMMW C39H60N10O10S4 956.3377 NA PeJP NA NA +PJ099432 GSCCQHHW C39H52N14O11S2 956.3382 NA PeJP NA NA +PJ099433 SSSSSNEEM C34H56N10O20S 956.3393 NA PeJP NA NA +PJ099434 SDEEEYW C42H52N8O18 956.34 NA PeJP NA NA +PJ099435 SSNQEMMM C35H60N10O15S3 956.3402 NA PeJP NA NA +PJ099436 GSSSCNEHH C35H52N14O16S 956.3407 NA PeJP NA NA +PJ099437 SCQMYYY C43H56N8O13S2 956.3408 NA PeJP NA NA +PJ099438 PDDMMYW C43H56N8O13S2 956.3409 NA PeJP NA NA +PJ099439 PCCNKMMM C36H64N10O10S5 956.3411 NA PeJP NA NA +PJ099440 GCNQMMHH C36H56N14O11S3 956.3416 NA PeJP NA NA +PJ099441 QEEEEMY C39H56N8O18S 956.3434 NA PeJP NA NA +PJ099442 SSSSCCNNR C32H56N14O16S2 956.344 NA PeJP NA NA +PJ099443 GGSSSSCCNR C32H56N14O16S2 956.3441 NA PeJP NA NA +PJ099444 TEEMMMW C40H60N8O13S3 956.3442 NA PeJP NA NA +PJ099445 GSCNNNYW C40H52N12O14S 956.3447 NA PeJP NA NA +PJ099446 GCCCEMRR C33H60N14O11S4 956.3449 NA PeJP NA NA +PJ099447 PMMMMMW C41H64N8O8S5 956.3451 NA PeJP NA NA +PJ099448 TCCCRWW C41H56N12O9S3 956.3456 NA PeJP NA NA +PJ099449 STTEEEMM C36H60N8O18S2 956.3467 NA PeJP NA NA +PJ099450 GSSSNNNDY C36H52N12O19 956.3472 NA PeJP NA NA +PJ099451 GVEEMMMM C37H64N8O13S4 956.3476 NA PeJP NA NA +PJ099452 SSSCCERW C37H56N12O14S2 956.3481 NA PeJP NA NA +PJ099453 GCNEYWW C45H52N10O12S 956.3487 NA PeJP NA NA +PJ099454 CCQMMRW C38H60N12O9S4 956.3489 NA PeJP NA NA +PJ099455 GACCMMRW C38H60N12O9S4 956.349 NA PeJP NA NA +PJ099456 SPCCHHHH C38H52N16O10S2 956.3494 NA PeJP NA NA +PJ099457 SSSSSCDER C33H56N12O19S 956.3506 NA PeJP NA NA +PJ099458 GSSNDEYW C41H52N10O17 956.3512 NA PeJP NA NA +PJ099459 GGGGGDDEFF C41H52N10O17 956.3513 NA PeJP NA NA +PJ099460 SSCNEMMR C34H60N12O14S3 956.3514 NA PeJP NA NA +PJ099461 GGSSCEMMR C34H60N12O14S3 956.3515 NA PeJP NA NA +PJ099462 CNNNNNQH C34H52N16O15S 956.3519 NA PeJP NA NA +PJ099463 GGGGGGGGGGCQH C34H52N16O15S 956.352 NA PeJP NA NA +PJ099464 GSSTCMWW C42H56N10O12S2 956.3521 NA PeJP NA NA +PJ099465 GCCNMHHR C35H56N16O10S3 956.3528 NA PeJP NA NA +PJ099466 GSSSSSEMW C38H56N10O17S 956.3546 NA PeJP NA NA +PJ099467 GNDYYYY C46H52N8O15 956.3552 NA PeJP NA NA +PJ099468 PDDDFYW C46H52N8O15 956.3553 NA PeJP NA NA +PJ099469 GSSQMMMW C39H60N10O12S3 956.3555 NA PeJP NA NA +PJ099470 SSSCNHHW C39H52N14O13S 956.3559 NA PeJP NA NA +PJ099471 GGGCNEHHF C39H52N14O13S 956.356 NA PeJP NA NA +PJ099472 CCQFFFY C47H56N8O10S2 956.3561 NA PeJP NA NA +PJ099473 GSSSSSSTEE C34H56N10O22 956.3571 NA PeJP NA NA +PJ099474 GSSSTQEMM C35H60N10O17S2 956.358 NA PeJP NA NA +PJ099475 SSSSSNDHH C35H52N14O18 956.3584 NA PeJP NA NA +PJ099476 GNDDDEHR C35H52N14O18 956.3585 NA PeJP NA NA +PJ099477 AEEEMYW C43H56N8O15S 956.3586 NA PeJP NA NA +PJ099478 EEMMMMR C36H64N10O12S4 956.3588 NA PeJP NA NA +PJ099479 GGGDKMMMM C36H64N10O12S4 956.3589 NA PeJP NA NA +PJ099480 GCCNNQRY C36H56N14O13S2 956.3593 NA PeJP NA NA +PJ099481 PDMMMFW C44H60N8O10S3 956.3595 NA PeJP NA NA +MJ098593 Antibiotic MC 034 C49H61ClO17 956.359728 NA MeJP NA NA +MJ098594 Chlorothricin; 2A?-Hydroxy, O-de-Me C49H61ClO17 956.359728 NA MeJP NA NA +PJ099482 PCNDHWW C44H52N12O11S 956.36 NA PeJP NA NA +PJ099483 CCCMRRW C37H60N14O8S4 956.3602 NA PeJP NA NA +PJ099484 GTTEEEEY C39H56N8O20 956.3611 NA PeJP NA NA +PJ099485 GPTEEMMY C40H60N8O15S2 956.362 NA PeJP NA NA +PJ099486 NNEEEHW C40H52N12O16 956.3625 NA PeJP NA NA +PJ099487 SSCCDMRR C33H60N14O13S3 956.3627 NA PeJP NA NA +PJ099488 VEMMMMW C41H64N8O10S4 956.3629 NA PeJP NA NA +PJ099489 CCNEFRW C41H56N12O11S2 956.3633 NA PeJP NA NA +PJ099490 CNYWWW C49H52N10O9S 956.364 NA PeJP NA NA +PJ099491 SSLEEMMM C37H64N8O15S3 956.3654 NA PeJP NA NA +PJ099492 GSNDDMRY C37H56N12O16S 956.3658 NA PeJP NA NA +PJ099493 GGGGGGGGSTMY C37H56N12O16S 956.3659 NA PeJP NA NA +PJ099494 SPVMMMMM C38H68N8O10S5 956.3662 NA PeJP NA NA +PJ099495 SSNDYWW C45H52N10O14 956.3665 NA PeJP NA NA +PJ099496 GSSCMMRW C38H60N12O11S3 956.3667 NA PeJP NA NA +PJ099497 GSDMHHHH C38H52N16O12S 956.3672 NA PeJP NA NA +PJ099498 ACNMFWW C46H56N10O9S2 956.3673 NA PeJP NA NA +PJ099499 GCQMFWW C46H56N10O9S2 956.3674 NA PeJP NA NA +PJ099500 SSSSSSSSNQ C33H56N12O21 956.3683 NA PeJP NA NA +PJ099501 GSSSSDMMR C34H60N12O16S2 956.3692 NA PeJP NA NA +PJ099502 GSSNNNNNH C34H52N16O17 956.3697 NA PeJP NA NA +PJ099503 SSSSSMWW C42H56N10O14S 956.3698 NA PeJP NA NA +PJ099504 GGSQEMYW C42H56N10O14S 956.3699 NA PeJP NA NA +PJ099505 GSNMMMMR C35H64N12O11S4 956.3701 NA PeJP NA NA +PJ099506 SSCCQHHR C35H56N16O12S2 956.3705 NA PeJP NA NA +PJ099507 GGSTCCHHR C35H56N16O12S2 956.3706 NA PeJP NA NA +PJ099508 TCCKMWW C43H60N10O9S3 956.3707 NA PeJP NA NA +PJ099509 CNNHHFW C43H52N14O10S 956.3712 NA PeJP NA NA +PJ099510 SSSSSSTEW C38H56N10O19 956.3723 NA PeJP NA NA +PJ099511 GGSSTQEEY C38H56N10O19 956.3724 NA PeJP NA NA +PJ099512 SSSTQMMW C39H60N10O14S2 956.3732 NA PeJP NA NA +PJ099513 NDDDHRW C39H52N14O15 956.3737 NA PeJP NA NA +PJ099514 PPCEYYW C47H56N8O12S 956.3739 NA PeJP NA NA +PJ099515 CQKMMMW C40H64N10O9S4 956.3741 NA PeJP NA NA +PJ099516 GSCCKHHW C40H56N14O10S2 956.3746 NA PeJP NA NA +PJ099517 SSSSSDKEM C35H60N10O19S 956.3757 NA PeJP NA NA +PJ099518 TTEEEYW C43H56N8O17 956.3764 NA PeJP NA NA +PJ099519 SSNKEMMM C36H64N10O14S3 956.3766 NA PeJP NA NA +PJ099520 SSCNNNRY C36H56N14O15S 956.3771 NA PeJP NA NA +PJ099521 PTEMMYW C44H60N8O12S2 956.3772 NA PeJP NA NA +PJ099522 VDEMMFW C44H60N8O12S2 956.3773 NA PeJP NA NA +PJ099523 GNEEHWW C44H52N12O13 956.3777 NA PeJP NA NA +PJ099524 GPCCCRRY C37H60N14O10S3 956.3779 NA PeJP NA NA +PJ099525 GGPPCCMHR C37H60N14O10S3 956.378 NA PeJP NA NA +PJ099526 GCCFRWW C45H56N12O8S2 956.3786 NA PeJP NA NA +PJ099527 SPTTEEMY C40H60N8O17S 956.3797 NA PeJP NA NA +PJ099528 KEEEEMY C40H60N8O17S 956.3798 NA PeJP NA NA +PJ099529 GPVEMMMY C41H64N8O12S3 956.3806 NA PeJP NA NA +PJ099530 SCNERYW C41H56N12O13S 956.3811 NA PeJP NA NA +PJ099531 GTCCMMRR C34H64N14O10S4 956.3813 NA PeJP NA NA +PJ099532 CLMMHHW C42H60N12O8S3 956.382 NA PeJP NA NA +PJ099533 TCHHHHW C42H52N16O9S 956.3824 NA PeJP NA NA +PJ099534 SSSNDERY C37H56N12O18 956.3836 NA PeJP NA NA +PJ099535 ATLEMMMM C38H68N8O12S4 956.384 NA PeJP NA NA +PJ099536 SSSTCMRW C38H60N12O13S2 956.3844 NA PeJP NA NA +PJ099537 NNEMMRY C38H60N12O13S2 956.3845 NA PeJP NA NA +PJ099538 SSSEHHHH C38H52N16O14 956.3849 NA PeJP NA NA +PJ099539 GGGGSPDHHH C38H52N16O14 956.385 NA PeJP NA NA +PJ099540 GSQMYWW C46H56N10O11S 956.3851 NA PeJP NA NA +PJ099541 CCKMMRW C39H64N12O8S4 956.3853 NA PeJP NA NA +PJ099542 QMMHHHH C39H56N16O9S2 956.3858 NA PeJP NA NA +PJ099543 SSSSSSEMR C34H60N12O18S 956.387 NA PeJP NA NA +PJ099544 GSSTQEYW C42H56N10O16 956.3876 NA PeJP NA NA +PJ099545 SSSQMMMR C35H64N12O13S3 956.3878 NA PeJP NA NA +PJ099546 GSSSSCHHR C35H56N16O14S 956.3883 NA PeJP NA NA +PJ099547 AQQMMYW C43H60N10O11S2 956.3885 NA PeJP NA NA +PJ099548 SNNNHWW C43H52N14O12 956.3889 NA PeJP NA NA +PJ099549 GGSNNHWW C43H52N14O12 956.389 NA PeJP NA NA +PJ099550 ACCCKHHR C36H60N16O9S3 956.3892 NA PeJP NA NA +PJ099551 GSSSTTTMW C39H60N10O16S 956.391 NA PeJP NA NA +PJ099552 APEEYYW C47H56N8O14 956.3916 NA PeJP NA NA +PJ099553 GSSKMMMW C40H64N10O11S3 956.3919 NA PeJP NA NA +PJ099554 GSPCDHRW C40H56N14O12S 956.3923 NA PeJP NA NA +PJ099555 GGGGGGAAMHW C40H56N14O12S 956.3924 NA PeJP NA NA +PJ099556 CCKFFFY C48H60N8O9S2 956.3925 NA PeJP NA NA +PJ099557 NEHWWW C48H52N12O10 956.393 NA PeJP NA NA +PJ099558 SSSSSSSSLE C35H60N10O21 956.3935 NA PeJP NA NA +PJ099559 SSSSSLQMM C36H64N10O16S2 956.3943 NA PeJP NA NA +PJ099560 GSSSTKEMM C36H64N10O16S2 956.3944 NA PeJP NA NA +PJ099561 GSNEEEHR C36H56N14O17 956.3948 NA PeJP NA NA +PJ099562 GGGGGGSDKEH C36H56N14O17 956.3949 NA PeJP NA NA +PJ099563 SLEEMYW C44H60N8O14S 956.395 NA PeJP NA NA +PJ099564 GTQKMMMM C37H68N10O11S4 956.3952 NA PeJP NA NA +PJ099565 CNDMRRY C37H60N14O12S2 956.3957 NA PeJP NA NA +PJ099566 PVMMMYW C45H64N8O9S3 956.3959 NA PeJP NA NA +PJ099567 GNNNQHHH C37H52N18O13 956.3962 NA PeJP NA NA +PJ099568 GSCRYWW C45H56N12O10S 956.3963 NA PeJP NA NA +PJ099569 GGSPMHWW C45H56N12O10S 956.3964 NA PeJP NA NA +PJ099570 CMHHHHR C38H56N18O8S2 956.397 NA PeJP NA NA +PJ099571 SSTLEEEY C40H60N8O19 956.3975 NA PeJP NA NA +PJ099572 AALEEMMY C41H64N8O14S2 956.3984 NA PeJP NA NA +PJ099573 GSSSDRYW C41H56N12O15 956.3988 NA PeJP NA NA +PJ099574 GPPDDDRW C41H56N12O15 956.3989 NA PeJP NA NA +PJ099575 SSSCMMRR C34H64N14O12S3 956.3991 NA PeJP NA NA +PJ099576 GPLMMMMF C42H68N8O9S4 956.3993 NA PeJP NA NA +PJ099577 GNMMRYW C42H60N12O10S2 956.3997 NA PeJP NA NA +PJ099578 NEHHHHF C42H52N16O11 956.4002 NA PeJP NA NA +PJ099579 ACHFFFW C50H56N10O8S 956.4004 NA PeJP NA NA +PJ099580 TTTLEMMM C38H68N8O14S3 956.4017 NA PeJP NA NA +PJ099581 GSSQEMRY C38H60N12O15S 956.4022 NA PeJP NA NA +PJ099582 GGGGGGAAPPEM C38H60N12O15S 956.4023 NA PeJP NA NA +PJ099583 GLLMMMMM C39H72N8O9S5 956.4026 NA PeJP NA NA +PJ099584 SSTQYWW C46H56N10O13 956.4029 NA PeJP NA NA +PJ099585 GPCCKMRY C39H64N12O10S3 956.4031 NA PeJP NA NA +PJ099586 CNNQHRW C39H56N16O11S 956.4035 NA PeJP NA NA +PJ099587 GGCNQHRW C39H56N16O11S 956.4036 NA PeJP NA NA +PJ099588 GCKMFWW C47H60N10O8S2 956.4037 NA PeJP NA NA +MJ098595 Chukrasins; Chukrasin E C49H64O19 956.404179 NA MeJP NA NA +PJ099589 SSSSSSSSNK C34H60N12O20 956.4047 NA PeJP NA NA +PJ099590 GSSSTTMMR C35H64N12O15S2 956.4056 NA PeJP NA NA +PJ099591 GSDDDHRR C35H56N16O16 956.4061 NA PeJP NA NA +PJ099592 SNKEMYW C43H60N10O13S 956.4062 NA PeJP NA NA +PJ099593 GGPPPTDMW C43H60N10O13S 956.4063 NA PeJP NA NA +PJ099594 GTCKMMMR C36H68N12O10S4 956.4065 NA PeJP NA NA +PJ099595 GNFFFYY C51H56N8O11 956.4069 NA PeJP NA NA +PJ099596 GHWWWW C52H52N12O7 956.4082 NA PeJP NA NA +PJ099597 SSSSTTTTW C39H60N10O18 956.4087 NA PeJP NA NA +PJ099598 ATLEEEEH C39H60N10O18 956.4088 NA PeJP NA NA +PJ099599 SSSTKMMW C40H64N10O13S2 956.4096 NA PeJP NA NA +PJ099600 SNEEHRW C40H56N14O14 956.4101 NA PeJP NA NA +PJ099601 ACKFYYY C48H60N8O11S 956.4102 NA PeJP NA NA +PJ099602 PPTMYYW C48H60N8O11S 956.4103 NA PeJP NA NA +PJ099603 CKKMMMW C41H68N10O8S4 956.4105 NA PeJP NA NA +PJ099604 ACCRRYW C41H60N14O9S2 956.411 NA PeJP NA NA +PJ099605 SSSSTTKEM C36H64N10O18S 956.4121 NA PeJP NA NA +PJ099606 PKEEEYY C44H60N8O16 956.4128 NA PeJP NA NA +PJ099607 SSDKKMMM C37H68N10O13S3 956.413 NA PeJP NA NA +PJ099608 QQEEMHR C37H60N14O14S 956.4134 NA PeJP NA NA +PJ099609 GSSCERRY C37H60N14O14S 956.4135 NA PeJP NA NA +PJ099610 VVEMMYW C45H64N8O11S2 956.4136 NA PeJP NA NA +PJ099611 GDKEHWW C45H56N12O12 956.4141 NA PeJP NA NA +PJ099612 CNMMFRR C38H64N14O9S3 956.4143 NA PeJP NA NA +PJ099613 GPCNHHHR C38H56N18O10S 956.4148 NA PeJP NA NA +PJ099614 GHHHHFW C46H52N16O8 956.4155 NA PeJP NA NA +PJ099615 ATTLEEMY C41H64N8O16S 956.4161 NA PeJP NA NA +PJ099616 APTLMMMY C42H68N8O11S3 956.417 NA PeJP NA NA +PJ099617 SSQMRYW C42H60N12O12S 956.4175 NA PeJP NA NA +PJ099618 GPPEWWW C50H56N10O10 956.4181 NA PeJP NA NA +PJ099619 SSSTQERY C38H60N12O17 956.42 NA PeJP NA NA +PJ099620 STLLMMMM C39H72N8O11S4 956.4204 NA PeJP NA NA +PJ099621 NDKMMRY C39H64N12O12S2 956.4208 NA PeJP NA NA +PJ099622 GGDKMMRY C39H64N12O12S2 956.4209 NA PeJP NA NA +PJ099623 GSSNNHRW C39H56N16O13 956.4213 NA PeJP NA NA +PJ099624 GGGGGGGAPPHH C39H56N16O13 956.4214 NA PeJP NA NA +PJ099625 GSKMYWW C47H60N10O10S 956.4215 NA PeJP NA NA +PJ099626 PCCHRRW C40H60N16O8S2 956.4222 NA PeJP NA NA +PJ099627 SSSSTTTMR C35H64N12O17S 956.4233 NA PeJP NA NA +PJ099628 GSSTKEYW C43H60N10O15 956.424 NA PeJP NA NA +PJ099629 SSSKMMMR C36H68N12O12S3 956.4242 NA PeJP NA NA +PJ099630 NDEMHRR C36H60N16O13S 956.4247 NA PeJP NA NA +PJ099631 AQKMMYW C44H64N10O10S2 956.4249 NA PeJP NA NA +PJ099632 GSEHRWW C44H56N14O11 956.4253 NA PeJP NA NA +PJ099633 GGGAQHHFF C44H56N14O11 956.4254 NA PeJP NA NA +PJ099634 GSDKKEMY C40H64N10O15S 956.4274 NA PeJP NA NA +PJ099635 SPLEYYW C48H60N8O13 956.428 NA PeJP NA NA +PJ099636 GPCKKMMY C41H68N10O10S3 956.4282 NA PeJP NA NA +PJ099637 GGGVKMMMF C41H68N10O10S3 956.4283 NA PeJP NA NA +PJ099638 SSCRRYW C41H60N14O11S 956.4287 NA PeJP NA NA +PJ099639 PVMMFFW C49H64N8O8S2 956.4289 NA PeJP NA NA +PJ099640 DKHWWW C49H56N12O9 956.4294 NA PeJP NA NA +PJ099641 SSSSSSTTTL C36H64N10O20 956.4298 NA PeJP NA NA +PJ099642 GSSTTTTTTT C36H64N10O20 956.4299 NA PeJP NA NA +PJ099643 SSSSSLKMM C37H68N10O15S2 956.4307 NA PeJP NA NA +PJ099644 SSSSDRRY C37H60N14O16 956.4312 NA PeJP NA NA +PJ099645 GGGGGGGGGAPKE C37H60N14O16 956.4313 NA PeJP NA NA +PJ099646 AAPLEMYY C45H64N8O13S 956.4314 NA PeJP NA NA +PJ099647 GTKKMMMM C38H72N10O10S4 956.4316 NA PeJP NA NA +PJ099648 SNMMRRY C38H64N14O11S2 956.4321 NA PeJP NA NA +PJ099649 VLMMMFW C46H68N8O8S3 956.4323 NA PeJP NA NA +PJ099650 NQEHHHR C38H56N18O12 956.4326 NA PeJP NA NA +PJ099651 GLQMHWW C46H60N12O9S 956.4327 NA PeJP NA NA +PJ099652 PPWWWW C54H56N10O7 956.4334 NA PeJP NA NA +PJ099653 TTTTLEEY C41H64N8O18 956.4339 NA PeJP NA NA +PJ099654 GTLLEMMY C42H68N8O13S2 956.4348 NA PeJP NA NA +PJ099655 GSSTTRYW C42H60N12O14 956.4352 NA PeJP NA NA +PJ099656 GGGGGPLQEW C42H60N12O14 956.4353 NA PeJP NA NA +PJ099657 CDDHRRR C35H60N18O12S 956.4359 NA PeJP NA NA +PJ099658 ACKMRYW C43H64N12O9S2 956.4361 NA PeJP NA NA +PJ099659 VNQHHHW C43H56N16O10 956.4366 NA PeJP NA NA +PJ099660 GSSKEMRY C39H64N12O14S 956.4386 NA PeJP NA NA +PJ099661 SSTKYWW C47H60N10O12 956.4392 NA PeJP NA NA +PJ099662 PPDKEWW C47H60N10O12 956.4393 NA PeJP NA NA +PJ099663 NKMMMFR C40H68N12O9S3 956.4395 NA PeJP NA NA +PJ099664 ACEHRRW C40H60N16O10S 956.4399 NA PeJP NA NA +PJ099665 GDMHRRW C40H60N16O10S 956.44 NA PeJP NA NA +PJ099666 SHRWWW C48H56N14O8 956.4406 NA PeJP NA NA +PJ099667 SSSSCCKKK C36H68N12O14S2 956.442 NA PeJP NA NA +PJ099668 ASSDEHRR C36H60N16O15 956.4424 NA PeJP NA NA +PJ099669 GSSEEHRR C36H60N16O15 956.4425 NA PeJP NA NA +PJ099670 SDKKMYW C44H64N10O12S 956.4426 NA PeJP NA NA +PJ099671 PPTFFYW C52H60N8O10 956.4433 NA PeJP NA NA +PJ099672 AAMHRWW C45H60N14O8S 956.444 NA PeJP NA NA +PJ099673 SSSKKEEY C40H64N10O17 956.4451 NA PeJP NA NA +PJ099674 GGGGPLLEEE C40H64N10O17 956.4452 NA PeJP NA NA +PJ099675 QKKEMMY C41H68N10O12S2 956.446 NA PeJP NA NA +PJ099676 SDKEHRW C41H60N14O13 956.4465 NA PeJP NA NA +PJ099677 PVVMYYW C49H64N8O10S 956.4466 NA PeJP NA NA +PJ099678 CLLEFFW C49H64N8O10S 956.4467 NA PeJP NA NA +PJ099679 PCKMHRW C42H64N14O8S2 956.4473 NA PeJP NA NA +PJ099680 GQHHHRW C42H56N18O9 956.4478 NA PeJP NA NA +PJ099681 SSTTTTTKM C37H68N10O17S 956.4485 NA PeJP NA NA +PJ099682 LLQEEYY C45H64N8O15 956.4491 NA PeJP NA NA +PJ099683 GALLEEYY C45H64N8O15 956.4492 NA PeJP NA NA +PJ099684 STTKKMMM C38H72N10O12S3 956.4494 NA PeJP NA NA +PJ099685 GSSTMRRY C38H64N14O13S 956.4498 NA PeJP NA NA +PJ099686 GPPDEMRR C38H64N14O13S 956.4499 NA PeJP NA NA +PJ099687 TLLMMYW C46H68N8O10S2 956.45 NA PeJP NA NA +PJ099688 SPPERWW C46H60N12O11 956.4505 NA PeJP NA NA +PJ099689 STTLLEMY C42H68N8O15S 956.4525 NA PeJP NA NA +PJ099690 GVLLMMMY C43H72N8O10S3 956.4534 NA PeJP NA NA +PJ099691 SSSNNHRR C35H60N18O14 956.4537 NA PeJP NA NA +PJ099692 SSKMRYW C43H64N12O11S 956.4538 NA PeJP NA NA +PJ099693 TTCKRYW C43H64N12O11S 956.4539 NA PeJP NA NA +PJ099694 SPPVWWW C51H60N10O9 956.4545 NA PeJP NA NA +PJ099695 STTTTQRY C39H64N12O16 956.4563 NA PeJP NA NA +PJ099696 SSSTKERY C39H64N12O16 956.4564 NA PeJP NA NA +PJ099697 TQKMMRY C40H68N12O11S2 956.4572 NA PeJP NA NA +PJ099698 GGGAALLMMH C40H68N12O11S2 956.4573 NA PeJP NA NA +PJ099699 SSEHRRW C40H60N16O12 956.4577 NA PeJP NA NA +PJ099700 PPLQMWW C48H64N10O9S 956.4579 NA PeJP NA NA +PJ099701 PHHHHHR C41H56N20O8 956.4591 NA PeJP NA NA +PJ099702 SSSSLKYW C44H64N10O14 956.4604 NA PeJP NA NA +PJ099703 TQEMHRR C37H64N16O12S 956.4611 NA PeJP NA NA +PJ099704 AKKMMYW C45H68N10O9S2 956.4612 NA PeJP NA NA +PJ099705 APPPKMMW C45H68N10O9S2 956.4613 NA PeJP NA NA +MJ098596 1,3,20-Trihydroxywitha-5,24-dienolide, 3-O-[?-D-Xylopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside], 1-Ac C47H72O20 956.461694 NA MeJP NA NA +MJ098597 3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-[?-D-galactopyranosyl-(1?2)]-?-D-glucuronopyranoside] C47H72O20 956.461694 NA MeJP NA NA +MJ098598 3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranuronoside], 28-?-D-glucopyranosyl ester C47H72O20 956.461694 NA MeJP NA NA +MJ098599 Glaucogenin A; 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-L-cymaropyranoside] C47H72O20 956.461694 NA MeJP NA NA +MJ098600 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[[2-Carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-(?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C47H72O20 956.461694 NA MeJP NA NA +PJ099706 ATTHRWW C45H60N14O10 956.4617 NA PeJP NA NA +PJ099707 ASTKKEMY C41H68N10O14S 956.4637 NA PeJP NA NA +PJ099708 GTTKKEMY C41H68N10O14S 956.4638 NA PeJP NA NA +PJ099709 ALLEYYW C49H64N8O12 956.4644 NA PeJP NA NA +PJ099710 LLMMMRY C42H72N10O9S3 956.4646 NA PeJP NA NA +PJ099711 PPDMRRW C42H64N14O10S 956.4651 NA PeJP NA NA +PJ099712 GPKHFWW C50H60N12O8 956.4658 NA PeJP NA NA +PJ099713 SSSTTRRY C38H64N14O15 956.4676 NA PeJP NA NA +PJ099714 GPTLLMYY C46H68N8O12S 956.4678 NA PeJP NA NA +PJ099715 TCKMRRY C39H68N14O10S2 956.4685 NA PeJP NA NA +PJ099716 NNNHFRR C39H60N18O11 956.4689 NA PeJP NA NA +PJ099717 GGGGNHFRR C39H60N18O11 956.469 NA PeJP NA NA +PJ099718 PPCLRWW C47H64N12O8S 956.4691 NA PeJP NA NA +PJ099719 PVLLEEEE C42H68N8O17 956.4703 NA PeJP NA NA +PJ099720 SSLLLMMY C43H72N8O12S2 956.4711 NA PeJP NA NA +PJ099721 PLQEERW C43H64N12O13 956.4716 NA PeJP NA NA +PJ099722 GGGGGGAAPPLF C43H64N12O13 956.4717 NA PeJP NA NA +PJ099723 SDMHRRR C36H64N18O11S 956.4723 NA PeJP NA NA +PJ099724 PKKMMHW C44H68N12O8S2 956.4725 NA PeJP NA NA +PJ099725 PPQHHRW C44H60N16O9 956.473 NA PeJP NA NA +PJ099726 GTTTKMRY C40H68N12O13S 956.475 NA PeJP NA NA +PJ099727 PVLQEWW C48H64N10O11 956.4756 NA PeJP NA NA +PJ099728 GGPLLEWW C48H64N10O11 956.4757 NA PeJP NA NA +PJ099729 ATMHRRW C41H64N16O9S 956.4763 NA PeJP NA NA +PJ099730 PDEERRR C37H64N16O14 956.4788 NA PeJP NA NA +PJ099731 GGGGAPTERR C37H64N16O14 956.4789 NA PeJP NA NA +PJ099732 TTKKMYW C45H68N10O11S 956.479 NA PeJP NA NA +PJ099733 PVVFFYW C53H64N8O9 956.4797 NA PeJP NA NA +PJ099734 SQHHHRR C38H60N20O10 956.4802 NA PeJP NA NA +PJ099735 STTTKKEY C41H68N10O16 956.4815 NA PeJP NA NA +PJ099736 KKKEMMY C42H72N10O11S2 956.4824 NA PeJP NA NA +PJ099737 TTKEHRW C42H64N14O12 956.4828 NA PeJP NA NA +PJ099738 PVDERRW C42H64N14O12 956.4829 NA PeJP NA NA +PJ099739 VVLMFYW C50H68N8O9S 956.483 NA PeJP NA NA +PJ099740 GKHHHRW C43H60N18O8 956.4842 NA PeJP NA NA +PJ099741 LLKEEYY C46H68N8O14 956.4855 NA PeJP NA NA +PJ099742 APPTEMRR C39H68N14O12S 956.4862 NA PeJP NA NA +PJ099743 GGGGGGPVLMR C39H68N14O12S 956.4863 NA PeJP NA NA +PJ099744 GVLLMMFF C47H72N8O9S2 956.4864 NA PeJP NA NA +PJ099745 APLERWW C47H64N12O10 956.4869 NA PeJP NA NA +PJ099746 NQQQQRR C36H64N18O13 956.49 NA PeJP NA NA +PJ099747 GSPNDRRR C36H64N18O13 956.4901 NA PeJP NA NA +PJ099748 VKKEMHW C44H68N12O10S 956.4902 NA PeJP NA NA +PJ099749 GPPTLMRW C44H68N12O10S 956.4903 NA PeJP NA NA +PJ099750 GPLLWWW C52H64N10O8 956.4909 NA PeJP NA NA +PJ099751 STTTTKRY C40H68N12O15 956.4927 NA PeJP NA NA +PJ099752 GPLKEEER C40H68N12O15 956.4928 NA PeJP NA NA +PJ099753 TKKMMRY C41H72N12O10S2 956.4936 NA PeJP NA NA +PJ099754 TTTHRRW C41H64N16O11 956.4941 NA PeJP NA NA +PJ099755 PPLKMWW C49H68N10O8S 956.4943 NA PeJP NA NA +PJ099756 GPVLKEEW C45H68N10O13 956.4968 NA PeJP NA NA +PJ099757 TKEMHRR C38H68N16O11S 956.4975 NA PeJP NA NA +PJ099758 LLMMFFR C46H72N10O8S2 956.4976 NA PeJP NA NA +MJ098601 1,11-Dihydroxy-3-oxo-20(29)-lupen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O19 956.49808 NA MeJP NA NA +MJ098602 11-Hydroxy-3,21-dioxo-12-oleanen-28-oic acid; 11?-form, 3?-Alcohol, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O19 956.49808 NA MeJP NA NA +MJ098603 12-Oleanene-3,22,24-triol, 24-Aldehyde, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098604 13,28-Epoxy-11-oleanene-3,16,23,30-tetrol, 30-Aldehyde, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098605 13,28-Epoxy-3,16,23-trihydroxy-9(11)-oleanen-12-one, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098606 2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside], ?-D-glucopyranosyl ester C48H76O19 956.49808 NA MeJP NA NA +MJ098607 2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 28-O-[?-D-Glucopyranosyl-(1?4)-[?-D-fucopyranosyl-(1?2)]-?-L-rhamnopyranosyl] ester C48H76O19 956.49808 NA MeJP NA NA +MJ098608 2,3-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O19 956.49808 NA MeJP NA NA +MJ098609 2,3-Dihydroxy-23-oxo-12-ursen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O19 956.49808 NA MeJP NA NA +MJ098610 20(29)-Lupene-3,23,28-triol, 23,28-Dicarboxylic acid, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O19 956.49808 NA MeJP NA NA +MJ098611 20(29)-Lupene-3,23,28-triol, 23,28-Dicarboxylic acid, 3-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O19 956.49808 NA MeJP NA NA +MJ098612 20(29)-Lupene-3,23,28-triol, 23,28-Dicarboxylic acid, 3-O-[?-L-rhamnopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098613 20(29)-Lupene-3,23,28-triol; 3?-form, 23,28-Dicarboxylic acid, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O19 956.49808 NA MeJP NA NA +MJ098614 20(29)-Lupene-3,23,28-triol; 3?-form, 23,28-Dicarboxylic acid, 3-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098615 3,11,23-Trihydroxy-20(29)-lupen-28-oic acid, 23-Aldehyde, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O19 956.49808 NA MeJP NA NA +MJ098616 3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside], 16-O-?-D-glucopyranoside C48H76O19 956.49808 NA MeJP NA NA +MJ098617 3,21-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O19 956.49808 NA MeJP NA NA +MJ098618 3,22-Dihydroxy-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098619 3,22-Dihydroxy-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-glucuronopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098620 3,23,29-Trihydroxy-12-oleanen-28-oic acid; 3?-form, 23-Aldehyde, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranosyl] ester C48H76O19 956.49808 NA MeJP NA NA +MJ098621 3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-xylopyranoside], 30-Me ester C48H76O19 956.49808 NA MeJP NA NA +MJ098622 3,23-Dihydroxy-30-oxo-12-oleanen-28-oic acid; 3?-form, 23-Aldehyde, 30-alcohol, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O19 956.49808 NA MeJP NA NA +MJ098623 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098624 3-Hydroxy-12-oleanene-23,28-dioic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O19 956.49808 NA MeJP NA NA +MJ098625 3-Hydroxy-12-oleanene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl(1?2)-?-L-rhamnopyranosyl(1?4)-?-D-glucopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098626 3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098627 3-Hydroxy-12-ursene-23,28-dioic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O19 956.49808 NA MeJP NA NA +MJ098628 3-Hydroxy-12-ursene-23,28-dioic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O19 956.49808 NA MeJP NA NA +MJ098629 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranoside], 27-O-?-D-glucopyranosyl ester C48H76O19 956.49808 NA MeJP NA NA +MJ098630 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-fucopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O19 956.49808 NA MeJP NA NA +MJ098631 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-?-L-fucopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098632 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O19 956.49808 NA MeJP NA NA +MJ098633 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098634 3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranosyl] ester C48H76O19 956.49808 NA MeJP NA NA +MJ098635 3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O19 956.49808 NA MeJP NA NA +MJ098636 Anatolioside B; 2''''-(6-Hydroxy-2,6-dimethyl-2,7-octadienoyl) C48H76O19 956.49808 NA MeJP NA NA +MJ098637 Hederagenin bisdesmosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O19 956.49808 NA MeJP NA NA +MJ098638 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?3)]-?-D-glucuronopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098639 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucuronopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098640 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-galactopyranosyl-(1?3)-?-D-glucuronopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098641 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucuronopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098642 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucuronopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098643 Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-D-galactopyranosyl-(1?3)]-?-D-glucuronopyranoside] C48H76O19 956.49808 NA MeJP NA NA +MJ098644 Oleanolic acid bisdesmosides; Triglycosides, 3-O-?-D-Glucuronopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O19 956.49808 NA MeJP NA NA +MJ098645 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O19 956.49808 NA MeJP NA NA +MJ098646 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucopyranoside], 28-O-?-D-glucuronopyranosyl ester C48H76O19 956.49808 NA MeJP NA NA +MJ098647 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O19 956.49808 NA MeJP NA NA +MJ098648 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O19 956.49808 NA MeJP NA NA +MJ098649 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O19 956.49808 NA MeJP NA NA +MJ098650 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O19 956.49808 NA MeJP NA NA +C17543 Chikusetsusaponin V C48H76O19 956.4981 NA KEGG NA NA +PJ099759 GPQKRWW C46H64N14O9 956.4981 NA PeJP NA NA +PJ099760 SSTLKKMY C42H72N10O13S 956.5001 NA PeJP NA NA +PJ099761 PPVKKEEM C42H72N10O13S 956.5002 NA PeJP NA NA +PJ099762 SLLLYYW C50H68N8O11 956.5008 NA PeJP NA NA +PJ099763 NNNQRRR C35H64N20O12 956.5013 NA PeJP NA NA +PJ099764 SLKMHRW C43H68N14O9S 956.5015 NA PeJP NA NA +PJ099765 GPTLEERR C39H68N14O14 956.504 NA PeJP NA NA +PJ099766 AALLLMYY C47H72N8O11S 956.5042 NA PeJP NA NA +PJ099767 GPPLMMRR C40H72N14O9S2 956.5049 NA PeJP NA NA +PJ099768 GEHFRRR C40H64N18O10 956.5053 NA PeJP NA NA +PJ099769 PLKEERW C44H68N12O12 956.508 NA PeJP NA NA +PJ099770 TTMHRRR C37H68N18O10S 956.5087 NA PeJP NA NA +PJ099771 GVHFRRW C45H64N16O8 956.5094 NA PeJP NA NA +PJ099772 SPPLKEMR C41H72N12O12S 956.5114 NA PeJP NA NA +PJ099773 PVLKEWW C49H68N10O10 956.512 NA PeJP NA NA +PJ099774 SSTTLHRR C38H68N16O13 956.5152 NA PeJP NA NA +PJ099775 GGGGGGGAALKR C38H68N16O13 956.5153 NA PeJP NA NA +PJ099776 SPPVLKMW C46H72N10O10S 956.5154 NA PeJP NA NA +PJ099777 VVLFFFW C54H68N8O8 956.5161 NA PeJP NA NA +PJ099778 SKHHHRR C39H64N20O9 956.5166 NA PeJP NA NA +PJ099779 PVVKKEEE C42H72N10O15 956.5179 NA PeJP NA NA +PJ099780 SLLLLMMH C43H76N10O10S2 956.5188 NA PeJP NA NA +PJ099781 PTLERRW C43H68N14O11 956.5192 NA PeJP NA NA +PJ099782 GGPKKERW C43H68N14O11 956.5193 NA PeJP NA NA +PJ099783 PCNRRRR C36H68N20O9S 956.5199 NA PeJP NA NA +PJ099784 HFRRRW C44H64N18O7 956.5206 NA PeJP NA NA +PJ099785 ATTLLLYY C47H72N8O13 956.5219 NA PeJP NA NA +PJ099786 GPVLEMRR C40H72N14O11S 956.5226 NA PeJP NA NA +PJ099787 SPLLRWW C48H68N12O9 956.5233 NA PeJP NA NA +PJ099788 PLLLLEEM C44H76N8O13S 956.5253 NA PeJP NA NA +PJ099789 NQQQKRR C37H68N18O12 956.5264 NA PeJP NA NA +PJ099790 VNQERRR C37H68N18O12 956.5265 NA PeJP NA NA +PJ099791 AAPLLMRW C45H72N12O9S 956.5266 NA PeJP NA NA +PJ099792 SPVLKEER C41H72N12O14 956.5291 NA PeJP NA NA +PJ099793 GGALLLEER C41H72N12O14 956.5292 NA PeJP NA NA +PJ099794 PPVVKMMR C42H76N12O9S2 956.53 NA PeJP NA NA +PJ099795 SPQKRRW C42H68N16O10 956.5305 NA PeJP NA NA +C15742 Cyanopeptolin A C46H72N10O12 956.5331 NA KEGG NA NA +MJ098651 Cyanopeptolin A C46H72N10O12 956.533117 NA MeJP NA NA +PJ099796 APTLLKEW C46H72N10O12 956.5332 NA PeJP NA NA +PJ099797 PLEMRRR C39H72N16O10S 956.5339 NA PeJP NA NA +MJ098652 21,23-Epoxycycloart-24-ene-3,21,22,29-tetrol, 21-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C49H80O18 956.534465 NA MeJP NA NA +MJ098653 3,11,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H80O18 956.534465 NA MeJP NA NA +MJ098654 3,8,12,14,15-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H80O18 956.534465 NA MeJP NA NA +MJ098655 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H80O18 956.534465 NA MeJP NA NA +MJ098656 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 3-O-[?-L-Cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-cymaropyranoside] C49H80O18 956.534465 NA MeJP NA NA +PJ099798 GPKKRWW C47H68N14O8 956.5345 NA PeJP NA NA +PJ099799 PVLLQKEM C43H76N10O12S 956.5365 NA PeJP NA NA +PJ099800 AALLLFFY C51H72N8O10 956.5372 NA PeJP NA NA +PJ099801 GQERRRR C36H68N20O11 956.5377 NA PeJP NA NA +PJ099802 PVLMRRW C44H72N14O8S 956.5379 NA PeJP NA NA +3096 fragment of laminin A chain:2091-2108 CSRARKQAASIKVAVSADR 956.53845 MH2+ Inhouse_peptide NA peptide +3092 oxyntomodulin KRNKNNIA 956.5387 celiac toxic Inhouse_peptide NA peptide +MJ098657 Cephalostatin 2; 1'?-Methoxy C55H76N2O12 956.539825 NA MeJP NA NA +MJ098658 Cephalostatin 2; 1?-Methoxy C55H76N2O12 956.539825 NA MeJP NA NA +PJ099803 AALLEERR C40H72N14O13 956.5404 NA PeJP NA NA +PJ099804 GVQRRRW C41H68N18O9 956.5417 NA PeJP NA NA +PJ099805 VLLLLEEE C44H76N8O15 956.5431 NA PeJP NA NA +PJ099806 LLLQERW C45H72N12O11 956.5444 NA PeJP NA NA +PJ099807 PNKMRRR C38H72N18O9S 956.5451 NA PeJP NA NA +PJ099808 APLLKEMR C42H76N12O11S 956.5478 NA PeJP NA NA +PJ099809 VLLLQWW C50H72N10O9 956.5484 NA PeJP NA NA +PJ099810 VLEERRR C39H72N16O12 956.5516 NA PeJP NA NA +PJ099811 GPLLLKMW C47H76N10O9S 956.5518 NA PeJP NA NA +PJ099812 QRRRRW C40H68N20O8 956.5529 NA PeJP NA NA +PJ099813 GARRRRW C40H68N20O8 956.553 NA PeJP NA NA +PJ099814 PTLLKKEE C43H76N10O14 956.5543 NA PeJP NA NA +PJ099815 PPLLKKMM C44H80N10O9S2 956.5552 NA PeJP NA NA +PJ099816 VVLERRW C44H72N14O10 956.5556 NA PeJP NA NA +MJ098659 Cyanopeptolin B; 4'-N,N-Di-Me C48H76N8O12 956.558269 NA MeJP NA NA +PJ099817 PPLLLLEY C48H76N8O12 956.5583 NA PeJP NA NA +PJ099818 APTLLMRR C41H76N14O10S 956.559 NA PeJP NA NA +PJ099819 ALLLRWW C49H72N12O8 956.5597 NA PeJP NA NA +PJ099820 VNKERRR C38H72N18O11 956.5628 NA PeJP NA NA +PJ099821 GGVKERRR C38H72N18O11 956.5629 NA PeJP NA NA +PJ099822 GLLLKEER C42H76N12O13 956.5655 NA PeJP NA NA +PJ099823 SPKKRRW C43H72N16O9 956.5669 NA PeJP NA NA +PJ099824 AVVLLKEW C47H76N10O11 956.5695 NA PeJP NA NA +PJ099825 GVLLLKEW C47H76N10O11 956.5696 NA PeJP NA NA +PJ099826 AAPKKMRR C40H76N16O9S 956.5702 NA PeJP NA NA +PJ099827 PVLLKKEM C44H80N10O11S 956.5729 NA PeJP NA NA +PJ099828 GKERRRR C37H72N20O10 956.5741 NA PeJP NA NA +PJ099829 AVQQQKKK C41H76N14O12 956.5767 NA PeJP NA NA +PJ099830 GTLLLERR C41H76N14O12 956.5768 NA PeJP NA NA +PJ099831 GVKRRRW C42H72N18O8 956.5781 NA PeJP NA NA +PJ099832 LLLKERW C46H76N12O10 956.5808 NA PeJP NA NA +PJ099833 SPLLLKMR C43H80N12O10S 956.5842 NA PeJP NA NA +PJ099834 VLLLKWW C51H76N10O8 956.5848 NA PeJP NA NA +PJ099835 GTRRRRR C36H72N22O9 956.5853 NA PeJP NA NA +PJ099836 LQKKERR C40H76N16O11 956.588 NA PeJP NA NA +PJ099837 KRRRRW C41H72N20O7 956.5893 NA PeJP NA NA +PJ099838 VVLLKKEE C44H80N10O13 956.5907 NA PeJP NA NA +PJ099839 TLLLRRW C45H76N14O9 956.592 NA PeJP NA NA +PJ099840 PLLLLLEF C49H80N8O11 956.5947 NA PeJP NA NA +PJ099841 GVLLLMRR C42H80N14O9S 956.5954 NA PeJP NA NA +PJ099842 LLLLLLEM C46H84N8O11S 956.5981 NA PeJP NA NA +PJ099843 VDKKRRR C39H76N18O10 956.5992 NA PeJP NA NA +PJ099844 SVLLLKER C43H80N12O12 956.6019 NA PeJP NA NA +PJ099845 ALKKRRW C44H76N16O8 956.6032 NA PeJP NA NA +PJ099846 PLLFRRR C44H76N16O8 956.6033 NA PeJP NA NA +PJ099847 ATLLLLKW C48H80N10O10 956.6059 NA PeJP NA NA +PJ099848 LLLMRRR C41H80N16O8S 956.6066 NA PeJP NA NA +PJ099849 VLLLLQKM C45H84N10O10S 956.6093 NA PeJP NA NA +PJ099850 SVKRRRR C38H76N20O9 956.6105 NA PeJP NA NA +PJ099851 SSLLLLRR C42H80N14O11 956.6131 NA PeJP NA NA +PJ099852 GAATLLKKR C42H80N14O11 956.6132 NA PeJP NA NA +PJ099853 AALLKKKW C47H80N12O9 956.6172 NA PeJP NA NA +PJ099854 ALLLLKMR C44H84N12O9S 956.6205 NA PeJP NA NA +PJ099855 LKKKERR C41H80N16O10 956.6244 NA PeJP NA NA +PJ099856 TLLLLKKE C45H84N10O12 956.6271 NA PeJP NA NA +PJ099857 VLKKKRW C46H80N14O8 956.6284 NA PeJP NA NA +PJ099858 PLLLLLLY C50H84N8O10 956.6311 NA PeJP NA NA +PJ099859 TLKKRRR C40H80N18O9 956.6356 NA PeJP NA NA +PJ099860 TTLLLLKR C44H84N12O11 956.6383 NA PeJP NA NA +PJ099861 PVLLLKKF C49H84N10O9 956.6423 NA PeJP NA NA +PJ099862 VLLLLKKM C46H88N10O9S 956.6457 NA PeJP NA NA +PJ099863 ATLLKKKR C43H84N14O10 956.6495 NA PeJP NA NA +PJ099864 AAKKKKKR C42H84N16O9 956.6608 NA PeJP NA NA +PJ099865 LLLLLLLF C51H88N8O9 956.6675 NA PeJP NA NA +MJ098660 Officigenin C60H92O9 956.674134 NA MeJP NA NA +PJ099866 SLLLKKKK C45H88N12O10 956.6747 NA PeJP NA NA +PJ099867 GLKKKKKK C44H88N14O9 956.6859 NA PeJP NA NA +MJ098661 34-Ethylhuratoxin; 5-Deoxy, 6,7-deepoxy, 6,7,26,27-tetradehydro, 20-hexacosanoyl C62H100O7 956.746905 NA MeJP NA NA +HMDB05466 TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C63H104O6 956.78326 http://www.hmdb.ca/metabolites/HMDB05466 HMDB NA NA +HMDB05466 TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C63H104O6 956.78326 HMDB05466 PFEM_hmdb_metabocards_official NA NA +HMDB05466 TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C63H104O6 956.783264 NA HMDB2010 NA NA +PJ099868 CCCCCCCCD C28H47N9O12S8 957.111 NA PeJP NA NA +PJ099869 SCCCCCCCM C29H51N9O11S8 957.1474 NA PeJP NA NA +C09817 Benzylsuccinyl-CoA C32H46N7O19P3S 957.1782 NA KEGG NA NA +MetaCyc04343 S-benzylsuccinyl-CoA [] C32H46N7O19P3S1 957.178203 NA metacyc NA NA +MetaCyc04344 (R)-benzylsuccinyl-CoA [benzylsuccinyl-CoA;(R)-2-benzylsuccinyl-CoA;] C32H46N7O19P3S1 957.178203 NA metacyc NA NA +HMDB12129 (R)-Benzylsuccinyl-CoA C32H46N7O19P3S 957.178223 NA HMDB2010 NA NA +PJ099870 ACCCCCCCF C33H51N9O10S7 957.1804 NA PeJP NA NA +PJ099871 GCCCCCDDH C31H47N11O14S5 957.1908 NA PeJP NA NA +PJ099872 GTCCCCCCY C33H51N9O12S6 957.1982 NA PeJP NA NA +PJ099873 SPCCCCCCH C32H51N11O11S6 957.2094 NA PeJP NA NA +PJ099874 SSSCCCCCY C33H51N9O14S5 957.2159 NA PeJP NA NA +PJ099875 PPCCCCCDD C33H51N9O14S5 957.216 NA PeJP NA NA +PJ099876 GCCCNNDDD C31H47N11O18S3 957.2263 NA PeJP NA NA +PJ099877 GSCCCCDMH C32H51N11O13S5 957.2272 NA PeJP NA NA +PJ099878 CCCCCNFY C37H51N9O11S5 957.2312 NA PeJP NA NA +PJ099879 GSCCDDDDE C32H47N9O21S2 957.2328 NA PeJP NA NA +PJ099880 GPCCCDDDM C33H51N9O16S4 957.2337 NA PeJP NA NA +PJ099881 TCCCCCHW C36H51N11O10S5 957.2424 NA PeJP NA NA +PJ099882 SSSCCCCEH C32H51N11O15S4 957.2449 NA PeJP NA NA +PJ099883 GGGGSPCCCCD C32H51N11O15S4 957.245 NA PeJP NA NA +PJ099884 CCCCQMMH C33H55N11O10S6 957.2458 NA PeJP NA NA +PJ099885 SCCDDDDW C36H47N9O18S2 957.2481 NA PeJP NA NA +PJ099886 SCCCCNYY C37H51N9O13S4 957.2489 NA PeJP NA NA +PJ099887 PCCCCDEW C37H51N9O13S4 957.249 NA PeJP NA NA +PJ099888 SSSCDDDDD C32H47N9O23S 957.2506 NA PeJP NA NA +PJ099889 CNDDDDMM C33H51N9O18S3 957.2515 NA PeJP NA NA +PJ099890 SPPCCCCDM C34H55N9O13S5 957.2523 NA PeJP NA NA +PJ099891 GCCCCNNNQ C31H51N13O14S4 957.2562 NA PeJP NA NA +PJ099892 CCCCCMHR C32H55N13O9S6 957.257 NA PeJP NA NA +PJ099893 CCCCNEHF C36H51N11O12S4 957.2602 NA PeJP NA NA +PJ099894 CCCDDDER C32H51N11O17S3 957.2627 NA PeJP NA NA +PJ099895 GSSCCCMMH C33H55N11O12S5 957.2636 NA PeJP NA NA +PJ099896 CNDDDDDF C36H47N9O20S 957.2659 NA PeJP NA NA +PJ099897 GCCDDEMW C37H51N9O15S3 957.2667 NA PeJP NA NA +PJ099898 GSSCDDDEM C33H51N9O20S2 957.2692 NA PeJP NA NA +PJ099899 GSPCCDDMM C34H55N9O15S4 957.2701 NA PeJP NA NA +PJ099900 CCNDDDHH C34H47N13O16S2 957.2706 NA PeJP NA NA +PJ099901 APPCCCCMM C35H59N9O10S6 957.271 NA PeJP NA NA +PJ099902 SSCCCNNNN C31H51N13O16S3 957.2739 NA PeJP NA NA +PJ099903 GGGGGGGGSSCCC C31H51N13O16S3 957.274 NA PeJP NA NA +PJ099904 GPCCCCCNR C32H55N13O11S5 957.2748 NA PeJP NA NA +PJ099905 GCCCCHFW C40H51N11O9S4 957.2755 NA PeJP NA NA +PJ099906 SCCCNNEW C36H51N11O14S3 957.2779 NA PeJP NA NA +PJ099907 GGSCCCNEW C36H51N11O14S3 957.278 NA PeJP NA NA +PJ099908 SSSCCNNDE C32H51N11O19S2 957.2804 NA PeJP NA NA +PJ099909 GGSSSCCNDE C32H51N11O19S2 957.2805 NA PeJP NA NA +PJ099910 SSSTCCCMH C33H55N11O14S4 957.2813 NA PeJP NA NA +PJ099911 CCDDMWW C41H51N9O12S3 957.282 NA PeJP NA NA +PJ099912 CCCCKMMH C34H59N11O9S6 957.2822 NA PeJP NA NA +PJ099913 SNDDDDDY C36H47N9O22 957.2836 NA PeJP NA NA +PJ099914 SSCDDDMW C37H51N9O17S2 957.2845 NA PeJP NA NA +PJ099915 SPCCCEMW C38H55N9O12S4 957.2853 NA PeJP NA NA +PJ099916 GPPCCCCEF C38H55N9O12S4 957.2854 NA PeJP NA NA +PJ099917 SSSSDDDDM C33H51N9O22S 957.287 NA PeJP NA NA +PJ099918 SNDDDMMM C34H55N9O17S3 957.2878 NA PeJP NA NA +PJ099919 GGSCDEEMM C34H55N9O17S3 957.2879 NA PeJP NA NA +PJ099920 CCDEYYY C42H51N7O15S2 957.2885 NA PeJP NA NA +PJ099921 PCCNEMMM C35H59N9O12S5 957.2887 NA PeJP NA NA +PJ099922 GSPCCCDHH C35H51N13O13S3 957.2892 NA PeJP NA NA +PJ099923 CCCNNDMR C32H55N13O13S4 957.2926 NA PeJP NA NA +PJ099924 GSCCCNWW C40H51N11O11S3 957.2932 NA PeJP NA NA +PJ099925 GSSSCCNDW C36H51N11O16S2 957.2957 NA PeJP NA NA +PJ099926 GCCNNMMW C37H55N11O11S4 957.2966 NA PeJP NA NA +PJ099927 GSSSSSCNDD C32H51N11O21S 957.2982 NA PeJP NA NA +PJ099928 SCCDDEMR C33H55N11O16S3 957.2991 NA PeJP NA NA +PJ099929 GPCCDDYW C41H51N9O14S2 957.2997 NA PeJP NA NA +PJ099930 APCCCCCQK C34H59N11O11S5 957.2999 NA PeJP NA NA +PJ099931 PCCCDMMR C34H59N11O11S5 957.3 NA PeJP NA NA +PJ099932 CCCNNQHH C34H51N15O12S3 957.3004 NA PeJP NA NA +PJ099933 PPCCCCFW C42H55N9O9S4 957.3006 NA PeJP NA NA +PJ099934 GNDDDEMY C37H51N9O19S 957.3022 NA PeJP NA NA +PJ099935 GSCDEMMW C38H55N9O14S3 957.3031 NA PeJP NA NA +PJ099936 GPCCMMMW C39H59N9O9S5 957.304 NA PeJP NA NA +PJ099937 GSSSDDEMM C34H55N9O19S2 957.3056 NA PeJP NA NA +PJ099938 NNNDDDDH C34H47N13O20 957.3061 NA PeJP NA NA +PJ099939 GNDEMMMM C35H59N9O14S4 957.3065 NA PeJP NA NA +PJ099940 CCNNNNNY C35H51N13O15S2 957.3069 NA PeJP NA NA +PJ099941 GGGGGGCCNNY C35H51N13O15S2 957.307 NA PeJP NA NA +PJ099942 CCEMFYY C43H55N7O12S3 957.3071 NA PeJP NA NA +PJ099943 GCCCCQRW C36H55N13O10S4 957.3078 NA PeJP NA NA +MJ098662 Pteroylglutamic acid; Homologue (n = 5) C39H47N11O18 957.310053 NA MeJP NA NA +HMDB06487 Pentaglutamyl folate C39H47N11O18 957.310059 NA HMDB2010 NA NA +HMDB06487 Pentaglutamyl folate C39H47N11O18 957.31006 http://www.hmdb.ca/metabolites/HMDB06487 HMDB NA NA +HMDB06487 Pentaglutamyl folate C39H47N11O18 957.31006 HMDB06487 PFEM_hmdb_metabocards_official NA NA +PJ099944 GSSCCCNER C32H55N13O15S3 957.3103 NA PeJP NA NA +PJ099945 GCCNNDFW C40H51N11O13S2 957.311 NA PeJP NA NA +PJ099946 GCDDDDRY C36H51N11O18S 957.3135 NA PeJP NA NA +PJ099947 SSCCNQMW C37H55N11O13S3 957.3143 NA PeJP NA NA +PJ099948 GGGGGGPCCMY C37H55N11O13S3 957.3144 NA PeJP NA NA +PJ099949 SSSSCNNEM C33H55N11O18S2 957.3168 NA PeJP NA NA +PJ099950 NDDDMYW C41H51N9O16S 957.3175 NA PeJP NA NA +PJ099951 GCDDMMMR C34H59N11O13S4 957.3177 NA PeJP NA NA +PJ099952 GSSCCNNHH C34H51N15O14S2 957.3182 NA PeJP NA NA +PJ099953 SCDMMWW C42H55N9O11S3 957.3183 NA PeJP NA NA +PJ099954 TCCEMWW C42H55N9O11S3 957.3184 NA PeJP NA NA +PJ099955 PCCCCHHR C35H55N15O9S4 957.3191 NA PeJP NA NA +PJ099956 SSNDDEEY C37H51N9O21 957.32 NA PeJP NA NA +PJ099957 SSSDDMMW C38H55N9O16S2 957.3209 NA PeJP NA NA +PJ099958 NDMMMMW C39H59N9O11S4 957.3217 NA PeJP NA NA +PJ099959 GSCCEHHW C39H51N13O12S2 957.3222 NA PeJP NA NA +PJ099960 SSSSSDEEM C34H55N9O21S 957.3233 NA PeJP NA NA +PJ099961 SSSSTDDEM C34H55N9O21S 957.3234 NA PeJP NA NA +PJ099962 SSNEEMMM C35H59N9O16S3 957.3242 NA PeJP NA NA +PJ099963 GSSSCDEHH C35H51N13O17S 957.3247 NA PeJP NA NA +PJ099964 SCEMYYY C43H55N7O14S2 957.3249 NA PeJP NA NA +PJ099965 SPCQMMMM C36H63N9O11S5 957.3251 NA PeJP NA NA +PJ099966 SSCCCNRW C36H55N13O12S3 957.3256 NA PeJP NA NA +PJ099967 EEEEEMY C39H55N7O19S 957.3274 NA PeJP NA NA +PJ099968 SSSSCCNDR C32H55N13O17S2 957.3281 NA PeJP NA NA +PJ099969 GSCNNDYW C40H51N11O15S 957.3287 NA PeJP NA NA +PJ099970 SCCNNMMR C33H59N13O12S4 957.3289 NA PeJP NA NA +PJ099971 GGGGSCCMMR C33H59N13O12S4 957.329 NA PeJP NA NA +PJ099972 GCCNMHFF C41H55N11O10S3 957.3296 NA PeJP NA NA +PJ099973 GSSSNNDDY C36H51N11O20 957.3312 NA PeJP NA NA +PJ099974 GGGGGPPDDDD C36H51N11O20 957.3313 NA PeJP NA NA +PJ099975 GSSSSCNMW C37H55N11O15S2 957.3321 NA PeJP NA NA +PJ099976 GCDEYWW C45H51N9O13S 957.3327 NA PeJP NA NA +PJ099977 CCEMMRW C38H59N11O10S4 957.333 NA PeJP NA NA +PJ099978 GSSSSSSNDM C33H55N11O20S 957.3346 NA PeJP NA NA +PJ099979 GSSDDEYW C41H51N9O18 957.3352 NA PeJP NA NA +PJ099980 GGGPDDDYY C41H51N9O18 957.3353 NA PeJP NA NA +PJ099981 SSCDEMMR C34H59N11O15S3 957.3355 NA PeJP NA NA +PJ099982 CNNNNNEH C34H51N15O16S 957.3359 NA PeJP NA NA +PJ099983 GGGGGGCNNEH C34H51N15O16S 957.336 NA PeJP NA NA +PJ099984 GSPCDMYW C42H55N9O13S2 957.3361 NA PeJP NA NA +PJ099985 SPCCMMMR C35H63N11O10S5 957.3363 NA PeJP NA NA +PJ099986 GCCDMHHR C35H55N15O11S3 957.3368 NA PeJP NA NA +PJ099987 ACMMMWW C43H59N9O8S4 957.337 NA PeJP NA NA +PJ099988 SCCHHWW C43H51N13O9S2 957.3374 NA PeJP NA NA +PJ099989 GSNEEEMY C38H55N9O18S 957.3386 NA PeJP NA NA +PJ099990 GDDYYYY C46H51N7O16 957.3393 NA PeJP NA NA +PJ099991 GSSEMMMW C39H59N9O13S3 957.3395 NA PeJP NA NA +PJ099992 SSSCDHHW C39H51N13O14S 957.34 NA PeJP NA NA +PJ099993 PCCFYYY C47H55N7O11S2 957.3401 NA PeJP NA NA +PJ099994 SCCCCQRR C32H59N15O11S4 957.3402 NA PeJP NA NA +PJ099995 MMMMMHF C40H63N9O8S5 957.3404 NA PeJP NA NA +PJ099996 CNMMHHW C40H55N13O9S3 957.3408 NA PeJP NA NA +PJ099997 GSSSTEEMM C35H59N9O18S2 957.342 NA PeJP NA NA +PJ099998 GDDDDEHR C35H51N13O19 957.3425 NA PeJP NA NA +PJ099999 SVCQEMMM C36H63N9O13S4 957.3428 NA PeJP NA NA +PJ100000 GTQEMMMM C36H63N9O13S4 957.3429 NA PeJP NA NA +PJ100001 GCCNNERY C36H55N13O14S2 957.3433 NA PeJP NA NA +PJ100002 GGGGGGPCEMH C36H55N13O14S2 957.3434 NA PeJP NA NA +PJ100003 GMMMYYY C44H59N7O11S3 957.3435 NA PeJP NA NA +PJ100004 PCDDHWW C44H51N11O12S 957.344 NA PeJP NA NA +PJ100005 GCCCCKRW C37H59N13O9S4 957.3442 NA PeJP NA NA +PJ100006 GCCQHHHH C37H51N17O10S2 957.3447 NA PeJP NA NA +PJ100007 NDEEEHW C40H51N11O17 957.3465 NA PeJP NA NA +PJ100008 GSSSCCQMR C33H59N13O14S3 957.3467 NA PeJP NA NA +PJ100009 CNNQMYW C41H55N11O12S2 957.3473 NA PeJP NA NA +PJ100010 GGGGCQMYW C41H55N11O12S2 957.3474 NA PeJP NA NA +PJ100011 CDYWWW C49H51N9O10S 957.348 NA PeJP NA NA +PJ100012 SSSSSSCQW C37H55N11O17S 957.3498 NA PeJP NA NA +PJ100013 GSDDDMRY C37H55N11O17S 957.3499 NA PeJP NA NA +PJ100014 SSDDYWW C45H51N9O15 957.3505 NA PeJP NA NA +PJ100015 SSCCNKMW C38H59N11O12S3 957.3507 NA PeJP NA NA +PJ100016 GCNNNNHW C38H51N15O13S 957.3512 NA PeJP NA NA +PJ100017 PTCCYWW C46H55N9O10S2 957.3514 NA PeJP NA NA +PJ100018 SSSSSSSSNE C33H55N11O22 957.3523 NA PeJP NA NA +PJ100019 SSSSSNQMM C34H59N11O17S2 957.3532 NA PeJP NA NA +PJ100020 GSSNNNNDH C34H51N15O18 957.3537 NA PeJP NA NA +PJ100021 SNEEMYW C42H55N9O15S 957.3539 NA PeJP NA NA +PJ100022 GSDMMMMR C35H63N11O12S4 957.3541 NA PeJP NA NA +PJ100023 SSCCEHHR C35H55N15O13S2 957.3546 NA PeJP NA NA +PJ100024 SSMMMWW C43H59N9O10S3 957.3547 NA PeJP NA NA +PJ100025 GGPPCCMFF C43H59N9O10S3 957.3548 NA PeJP NA NA +PJ100026 CNDHHFW C43H51N13O11S 957.3552 NA PeJP NA NA +PJ100027 SSSQEEEY C38H55N9O20 957.3564 NA PeJP NA NA +PJ100028 SSSTEMMW C39H59N9O15S2 957.3572 NA PeJP NA NA +PJ100029 GGAAEEMMY C39H59N9O15S2 957.3573 NA PeJP NA NA +PJ100030 DDDDHRW C39H51N13O16 957.3577 NA PeJP NA NA +PJ100031 SPCYYYY C47H55N7O13S 957.3579 NA PeJP NA NA +PJ100032 TQMMMMW C40H63N9O10S4 957.3581 NA PeJP NA NA +PJ100033 CCNNRYW C40H55N13O11S2 957.3586 NA PeJP NA NA +PJ100034 SSSSTTEEM C35H59N9O20S 957.3597 NA PeJP NA NA +PJ100035 PEEEEYY C43H55N7O18 957.3604 NA PeJP NA NA +PJ100036 SSDKEMMM C36H63N9O15S3 957.3606 NA PeJP NA NA +PJ100037 SSCNNDRY C36H55N13O16S 957.3611 NA PeJP NA NA +PJ100038 STMMYYY C44H59N7O13S2 957.3612 NA PeJP NA NA +PJ100039 GVQMMMMM C37H67N9O10S5 957.3615 NA PeJP NA NA +PJ100040 GDEEHWW C44H51N11O14 957.3617 NA PeJP NA NA +PJ100041 GCCNQMFR C37H59N13O11S3 957.362 NA PeJP NA NA +PJ100042 SSCNHHHH C37H51N17O12S 957.3624 NA PeJP NA NA +PJ100043 SSSSSCNMR C33H59N13O16S2 957.3644 NA PeJP NA NA +PJ100044 GGSSSSSCMR C33H59N13O16S2 957.3645 NA PeJP NA NA +PJ100045 SCDERYW C41H55N11O14S 957.3651 NA PeJP NA NA +PJ100046 SCCCQKMR C34H63N13O11S4 957.3653 NA PeJP NA NA +PJ100047 PCCMRYW C42H59N11O9S3 957.366 NA PeJP NA NA +PJ100048 CMFWWW C50H55N9O7S2 957.3666 NA PeJP NA NA +PJ100049 GSSSSSSSSW C37H55N11O19 957.3676 NA PeJP NA NA +PJ100050 GSSSTCCKW C38H59N11O14S2 957.3685 NA PeJP NA NA +PJ100051 SPNDDHHH C38H51N15O15 957.369 NA PeJP NA NA +PJ100052 GSEMYWW C46H55N9O12S 957.3691 NA PeJP NA NA +PJ100053 TCMMMRW C39H63N11O9S4 957.3693 NA PeJP NA NA +PJ100054 GCCCKKMW C39H63N11O9S4 957.3694 NA PeJP NA NA +PJ100055 EMMHHHH C39H55N15O10S2 957.3698 NA PeJP NA NA +PJ100056 GSSSSSSTQM C34H59N11O19S 957.371 NA PeJP NA NA +PJ100057 GSSTEEYW C42H55N9O17 957.3716 NA PeJP NA NA +PJ100058 SSSEMMMR C35H63N11O14S3 957.3718 NA PeJP NA NA +PJ100059 GGGSSTCKMM C35H63N11O14S3 957.3719 NA PeJP NA NA +PJ100060 GNNDDMHR C35H55N15O15S 957.3723 NA PeJP NA NA +PJ100061 GGGGGGGGGGTMH C35H55N15O15S 957.3724 NA PeJP NA NA +PJ100062 AQEMMYW C43H59N9O12S2 957.3725 NA PeJP NA NA +PJ100063 QMMMMMR C36H67N11O9S5 957.3727 NA PeJP NA NA +PJ100064 SNNDHWW C43H51N13O13 957.373 NA PeJP NA NA +PJ100065 GCCCNFRR C36H59N15O10S3 957.3732 NA PeJP NA NA +PJ100066 CMHHHFF C44H55N13O8S2 957.3738 NA PeJP NA NA +PJ100067 GSDKEEMY C39H59N9O17S 957.375 NA PeJP NA NA +PJ100068 GTEYYYY C47H55N7O15 957.3756 NA PeJP NA NA +PJ100069 GTTTMMMW C40H63N9O12S3 957.3759 NA PeJP NA NA +PJ100070 SSSSMHHW C40H55N13O13S 957.3763 NA PeJP NA NA +PJ100071 GGGGQEMHW C40H55N13O13S 957.3764 NA PeJP NA NA +PJ100072 GMMFFYY C48H59N7O10S2 957.3765 NA PeJP NA NA +PJ100073 SCCCCKRR C33H63N15O10S4 957.3766 NA PeJP NA NA +PJ100074 DEHWWW C48H51N11O11 957.377 NA PeJP NA NA +PJ100075 SSSSSLEMM C36H63N9O17S2 957.3784 NA PeJP NA NA +PJ100076 ATDDDEHR C36H55N13O18 957.3788 NA PeJP NA NA +PJ100077 GSDEEEHR C36H55N13O18 957.3789 NA PeJP NA NA +PJ100078 GTKEMMMM C37H67N9O12S4 957.3792 NA PeJP NA NA +PJ100079 CDDMRRY C37H59N13O13S2 957.3797 NA PeJP NA NA +PJ100080 GNNNEHHH C37H51N17O14 957.3802 NA PeJP NA NA +PJ100081 SPDMHWW C45H55N11O11S 957.3804 NA PeJP NA NA +PJ100082 GCCKHHHH C38H55N17O9S2 957.3811 NA PeJP NA NA +PJ100083 GSSSSSSTCR C33H59N13O18S 957.3822 NA PeJP NA NA +PJ100084 SSSSNQYW C41H55N11O16 957.3828 NA PeJP NA NA +PJ100085 GGSSSSQYW C41H55N11O16 957.3829 NA PeJP NA NA +PJ100086 GSSSCCKMR C34H63N13O13S3 957.3831 NA PeJP NA NA +PJ100087 SCNNNNHR C34H55N17O14S 957.3835 NA PeJP NA NA +PJ100088 GGSCNNNHR C34H55N17O14S 957.3836 NA PeJP NA NA +PJ100089 GDMMRYW C42H59N11O11S2 957.3837 NA PeJP NA NA +PJ100090 GGGGPPPCMW C42H59N11O11S2 957.3838 NA PeJP NA NA +PJ100091 CMMMMRR C35H67N13O8S5 957.384 NA PeJP NA NA +PJ100092 DEHHHHF C42H51N15O12 957.3842 NA PeJP NA NA +PJ100093 SMYWWW C50H55N9O9S 957.3844 NA PeJP NA NA +PJ100094 SSSSSSCKW C38H59N11O16S 957.3862 NA PeJP NA NA +PJ100095 GGGLEEEMH C38H59N11O16S 957.3863 NA PeJP NA NA +PJ100096 SSTEYWW C46H55N9O14 957.3869 NA PeJP NA NA +PJ100097 STCCCKKW C39H63N11O11S3 957.3871 NA PeJP NA NA +PJ100098 CNNEHRW C39H55N15O12S 957.3876 NA PeJP NA NA +PJ100099 AVCMYWW C47H59N9O9S2 957.3877 NA PeJP NA NA +PJ100100 AAMMYWW C47H59N9O9S2 957.3878 NA PeJP NA NA +PJ100101 SSSSSSSSDK C34H59N11O21 957.3887 NA PeJP NA NA +PJ100102 SSSSSNKMM C35H63N11O16S2 957.3896 NA PeJP NA NA +PJ100103 SSNNDEHR C35H55N15O17 957.3901 NA PeJP NA NA +PJ100104 TTQEMYW C43H59N9O14S 957.3902 NA PeJP NA NA +PJ100105 SDKEMYW C43H59N9O14S 957.3903 NA PeJP NA NA +PJ100106 GTTMMMMR C36H67N11O11S4 957.3905 NA PeJP NA NA +PJ100107 TYYYYW C51H55N7O12 957.3909 NA PeJP NA NA +PJ100108 GGGSCCRRY C36H59N15O12S2 957.391 NA PeJP NA NA +PJ100109 PCKMMYW C44H63N9O9S3 957.3911 NA PeJP NA NA +PJ100110 GNQMHWW C44H55N13O10S 957.3916 NA PeJP NA NA +PJ100111 SSSKEEEY C39H59N9O19 957.3927 NA PeJP NA NA +PJ100112 GSSSSLEEY C39H59N9O19 957.3928 NA PeJP NA NA +PJ100113 STTTTMMW C40H63N9O14S2 957.3936 NA PeJP NA NA +PJ100114 SDEEHRW C40H55N13O15 957.3941 NA PeJP NA NA +PJ100115 GVMYYYY C48H59N7O12S 957.3943 NA PeJP NA NA +PJ100116 TKMMMMW C41H67N9O9S4 957.3945 NA PeJP NA NA +PJ100117 PCEMHRW C41H59N13O10S2 957.395 NA PeJP NA NA +PJ100118 NNNHHHW C41H51N17O11 957.3954 NA PeJP NA NA +PJ100119 GGGGNHHHW C41H51N17O11 957.3955 NA PeJP NA NA +PJ100120 SSTTTTTEM C36H63N9O19S 957.3961 NA PeJP NA NA +PJ100121 LEEEEFY C44H59N7O17 957.3968 NA PeJP NA NA +PJ100122 STTKEMMM C37H67N9O14S3 957.397 NA PeJP NA NA +PJ100123 SSSNNMRY C37H59N13O15S 957.3975 NA PeJP NA NA +PJ100124 GVKMMMMM C38H71N9O9S5 957.3979 NA PeJP NA NA +PJ100125 ATEEHWW C45H55N11O13 957.3981 NA PeJP NA NA +PJ100126 CDMMFRR C38H63N13O10S3 957.3983 NA PeJP NA NA +PJ100127 GGGCCKMFR C38H63N13O10S3 957.3984 NA PeJP NA NA +PJ100128 GPCDHHHR C38H55N17O11S 957.3988 NA PeJP NA NA +PJ100129 APMMHWW C46H59N11O8S2 957.399 NA PeJP NA NA +PJ100130 SSSSSSSSSR C33H59N13O20 957.4 NA PeJP NA NA +PJ100131 SSSSTCCKR C34H63N13O15S2 957.4008 NA PeJP NA NA +PJ100132 SSEMRYW C42H59N11O13S 957.4015 NA PeJP NA NA +PJ100133 SCCCKKMR C35H67N13O10S4 957.4017 NA PeJP NA NA +PJ100134 GSPYYWW C50H55N9O11 957.4021 NA PeJP NA NA +PJ100135 GMMMFRW C43H63N11O8S3 957.4024 NA PeJP NA NA +PJ100136 GCNHRWW C43H55N15O9S 957.4028 NA PeJP NA NA +PJ100137 SSSTEERY C38H59N11O18 957.404 NA PeJP NA NA +PJ100138 SPTTCMRY C39H63N11O13S2 957.4048 NA PeJP NA NA +PJ100139 TQEMMRY C39H63N11O13S2 957.4049 NA PeJP NA NA +PJ100140 GSSNDHRW C39H55N15O14 957.4053 NA PeJP NA NA +PJ100141 GGGGGGGQQHF C39H55N15O14 957.4054 NA PeJP NA NA +PJ100142 ATTMYWW C47H59N9O11S 957.4055 NA PeJP NA NA +PJ100143 CQMHHFR C40H59N15O9S2 957.4062 NA PeJP NA NA +PJ100144 GSSSSSSTKM C35H63N11O18S 957.4074 NA PeJP NA NA +PJ100145 SSSSLEYW C43H59N9O16 957.408 NA PeJP NA NA +PJ100146 STTTMMMR C36H67N11O13S3 957.4082 NA PeJP NA NA +PJ100147 DDEMHRR C36H59N15O14S 957.4087 NA PeJP NA NA +PJ100148 AKEMMYW C44H63N9O11S2 957.4089 NA PeJP NA NA +PJ100149 KMMMMMR C37H71N11O8S5 957.4091 NA PeJP NA NA +PJ100150 SSQQHWW C44H55N13O12 957.4093 NA PeJP NA NA +PJ100151 GGSTQHWW C44H55N13O12 957.4094 NA PeJP NA NA +PJ100152 GMFFFFY C52H59N7O9S 957.4095 NA PeJP NA NA +PJ100153 GTTKEEMY C40H63N9O16S 957.4114 NA PeJP NA NA +PJ100154 SSLYYYY C48H59N7O14 957.412 NA PeJP NA NA +PJ100155 GPTKMMMY C41H67N9O11S3 957.4123 NA PeJP NA NA +PJ100156 AEEMHRW C41H59N13O12S 957.4127 NA PeJP NA NA +PJ100157 GGGGGAAPMHF C41H59N13O12S 957.4128 NA PeJP NA NA +PJ100158 GPEHFWW C49H55N11O10 957.4134 NA PeJP NA NA +PJ100159 SSSTTTLMM C37H67N9O16S2 957.4147 NA PeJP NA NA +PJ100160 GSSSSSQRY C37H59N13O17 957.4152 NA PeJP NA NA +PJ100161 GGGGAPEEER C37H59N13O17 957.4153 NA PeJP NA NA +PJ100162 SSLKMMMM C38H71N9O11S4 957.4156 NA PeJP NA NA +PJ100163 SDMMRRY C38H63N13O12S2 957.4161 NA PeJP NA NA +PJ100164 NEEHHHR C38H55N17O13 957.4166 NA PeJP NA NA +PJ100165 AVEMHWW C46H59N11O10S 957.4167 NA PeJP NA NA +PJ100166 GLEMHWW C46H59N11O10S 957.4168 NA PeJP NA NA +PJ100167 AFYWWW C54H55N9O8 957.4174 NA PeJP NA NA +PJ100168 SSSSNKYW C42H59N11O15 957.4192 NA PeJP NA NA +PJ100169 TKEEEHW C42H59N11O15 957.4193 NA PeJP NA NA +PJ100170 GSCNEHRR C35H59N17O13S 957.4199 NA PeJP NA NA +PJ100171 GGGSCEHRR C35H59N17O13S 957.42 NA PeJP NA NA +PJ100172 ATMMRYW C43H63N11O10S2 957.4201 NA PeJP NA NA +PJ100173 VNEHHHW C43H55N15O11 957.4206 NA PeJP NA NA +PJ100174 AAMFFWW C51H59N9O8S 957.4208 NA PeJP NA NA +PJ100175 GTTTEMRY C39H63N11O15S 957.4226 NA PeJP NA NA +PJ100176 TTTTYWW C47H59N9O13 957.4233 NA PeJP NA NA +PJ100177 VQMMMRY C40H67N11O10S3 957.4235 NA PeJP NA NA +PJ100178 SNQMHRW C40H59N15O11S 957.4239 NA PeJP NA NA +PJ100179 GGSQMHRW C40H59N15O11S 957.424 NA PeJP NA NA +PJ100180 PCKMFFW C48H63N9O8S2 957.4241 NA PeJP NA NA +PJ100181 GQHHFFW C48H55N13O9 957.4246 NA PeJP NA NA +PJ100182 SSSSSSSTTK C35H63N11O20 957.4251 NA PeJP NA NA +PJ100183 SSSSTCKKM C36H67N11O15S2 957.426 NA PeJP NA NA +PJ100184 GNQQQQQQ C36H59N15O16 957.4264 NA PeJP NA NA +PJ100185 GPNDDERR C36H59N15O16 957.4265 NA PeJP NA NA +PJ100186 TTKEMYW C44H63N9O13S 957.4266 NA PeJP NA NA +PJ100187 GPPLEEMW C44H63N9O13S 957.4267 NA PeJP NA NA +PJ100188 SCCKKKMM C37H71N11O10S4 957.4269 NA PeJP NA NA +PJ100189 GVFFYYY C52H59N7O11 957.4273 NA PeJP NA NA +PJ100190 GGGGGVMMHR C37H63N15O11S2 957.4274 NA PeJP NA NA +PJ100191 CLKMMFW C45H67N9O8S3 957.4275 NA PeJP NA NA +PJ100192 GSNNHHHR C37H55N19O12 957.4278 NA PeJP NA NA +PJ100193 PPCNRWW C45H59N13O9S 957.428 NA PeJP NA NA +PJ100194 PHFWWW C53H55N11O7 957.4286 NA PeJP NA NA +PJ100195 STTTKEEY C40H63N9O18 957.4291 NA PeJP NA NA +PJ100196 PPTKEEEE C40H63N9O18 957.4292 NA PeJP NA NA +PJ100197 KKEEMMY C41H67N9O13S2 957.43 NA PeJP NA NA +PJ100198 TTEEHRW C41H59N13O14 957.4305 NA PeJP NA NA +PJ100199 PTMMHRW C42H63N13O9S2 957.4314 NA PeJP NA NA +PJ100200 GEHHHRW C42H55N17O10 957.4318 NA PeJP NA NA +PJ100201 LMHWWW C50H59N11O7S 957.432 NA PeJP NA NA +PJ100202 TTTTTTTTM C37H67N9O18S 957.4325 NA PeJP NA NA +PJ100203 LLEEEYY C45H63N7O16 957.4332 NA PeJP NA NA +PJ100204 SSSCQKRY C38H63N13O14S 957.4338 NA PeJP NA NA +PJ100205 GGSSTCKRY C38H63N13O14S 957.4339 NA PeJP NA NA +PJ100206 STLEHWW C46H59N11O12 957.4345 NA PeJP NA NA +PJ100207 AMMMRRY C39H67N13O9S3 957.4347 NA PeJP NA NA +PJ100208 SCNHRRW C39H59N17O10S 957.4352 NA PeJP NA NA +PJ100209 GVHHHWW C47H55N15O8 957.4359 NA PeJP NA NA +PJ100210 SSSNDHRR C35H59N17O15 957.4377 NA PeJP NA NA +PJ100211 TTTMRYW C43H63N11O12S 957.4379 NA PeJP NA NA +PJ100212 LQYYWW C51H59N9O10 957.4385 NA PeJP NA NA +PJ100213 NNMMHRR C36H63N17O10S2 957.4386 NA PeJP NA NA +PJ100214 LMHHHHF C44H59N15O8S 957.4392 NA PeJP NA NA +PJ100215 STTTTERY C39H63N11O17 957.4404 NA PeJP NA NA +PJ100216 TKEMMRY C40H67N11O12S2 957.4412 NA PeJP NA NA +PJ100217 GGGSKKMMY C40H67N11O12S2 957.4413 NA PeJP NA NA +PJ100218 PNDDRRW C40H59N15O13 957.4417 NA PeJP NA NA +PJ100219 GGGGGGGGAKHF C40H59N15O13 957.4418 NA PeJP NA NA +PJ100220 PPLEMWW C48H63N9O10S 957.4419 NA PeJP NA NA +PJ100221 CKMHHFR C41H63N15O8S2 957.4426 NA PeJP NA NA +PJ100222 SSTTTLYW C44H63N9O15 957.4444 NA PeJP NA NA +PJ100223 TEEMHRR C37H63N15O13S 957.4451 NA PeJP NA NA +PJ100224 SLKMMYW C45H67N9O10S2 957.4453 NA PeJP NA NA +PJ100225 GPQERWW C45H59N13O11 957.4457 NA PeJP NA NA +PJ100226 GGAPERWW C45H59N13O11 957.4458 NA PeJP NA NA +PJ100227 PMMMHRR C38H67N15O8S3 957.446 NA PeJP NA NA +7659 ACE inhibitor from as2-CN (92-98) FPQYLQY 957.446 antioxidative Inhouse_peptide NA peptide +PJ100228 HHHRWW C46H55N17O7 957.4471 NA PeJP NA NA +PJ100229 SSTLKEMY C41H67N9O15S 957.4478 NA PeJP NA NA +PJ100230 AALKMMMY C42H71N9O10S3 957.4486 NA PeJP NA NA +PJ100231 AAPPPLMMM C42H71N9O10S3 957.4487 NA PeJP NA NA +PJ100232 GNNNNNRR C34H59N19O14 957.4489 NA PeJP NA NA +PJ100233 GGGGGGGNNRR C34H59N19O14 957.449 NA PeJP NA NA +PJ100234 SLEMHRW C42H63N13O11S 957.4491 NA PeJP NA NA +PJ100235 GPVQWWW C50H59N11O9 957.4498 NA PeJP NA NA +PJ100236 GSSSSSKRY C38H63N13O16 957.4516 NA PeJP NA NA +PJ100237 GGGGGGGGGALLE C38H63N13O16 957.4517 NA PeJP NA NA +PJ100238 TTMMRRY C39H67N13O11S2 957.4525 NA PeJP NA NA +PJ100239 NNDHFRR C39H59N17O12 957.4529 NA PeJP NA NA +PJ100240 GGNDHFRR C39H59N17O12 957.453 NA PeJP NA NA +PJ100241 SVLMHWW C47H63N11O9S 957.4531 NA PeJP NA NA +PJ100242 PLEEERW C43H63N11O14 957.4556 NA PeJP NA NA +PJ100243 GGGPVKEEW C43H63N11O14 957.4557 NA PeJP NA NA +PJ100244 GSSQMHRR C36H63N17O12S 957.4563 NA PeJP NA NA +PJ100245 GGGGGGGPMRR C36H63N17O12S 957.4564 NA PeJP NA NA +PJ100246 CCKKKYW C44H67N11O9S2 957.4565 NA PeJP NA NA +PJ100247 GQQHFRW C44H59N15O10 957.457 NA PeJP NA NA +PJ100248 SSTTLMRY C40H67N11O14S 957.459 NA PeJP NA NA +PJ100249 AVKEYYW C48H63N9O12 957.4596 NA PeJP NA NA +PJ100250 PVLEEWW C48H63N9O12 957.4597 NA PeJP NA NA +PJ100251 VKMMMRY C41H71N11O9S3 957.4599 NA PeJP NA NA +PJ100252 SNKMHRW C41H63N15O10S 957.4603 NA PeJP NA NA +PJ100253 GSPPCRRW C41H63N15O10S 957.4604 NA PeJP NA NA +PJ100254 PQRWWW C49H59N13O8 957.461 NA PeJP NA NA +PJ100255 GPTDQERR C37H63N15O15 957.4628 NA PeJP NA NA +PJ100256 GSPQEERR C37H63N15O15 957.4629 NA PeJP NA NA +PJ100257 SPPVLEMW C45H67N9O12S 957.463 NA PeJP NA NA +PJ100258 VEMMHRR C38H67N15O10S2 957.4637 NA PeJP NA NA +PJ100259 SEHHHRR C38H59N19O11 957.4642 NA PeJP NA NA +PJ100260 ACKKHWW C46H63N13O8S 957.4644 NA PeJP NA NA +PJ100261 SSSSTTLLY C41H67N9O17 957.4655 NA PeJP NA NA +PJ100262 ATTLKMMY C42H71N9O12S2 957.4664 NA PeJP NA NA +PJ100263 PNKEERW C42H63N13O13 957.4669 NA PeJP NA NA +PJ100264 GSSCHRRR C35H63N19O11S 957.4676 NA PeJP NA NA +PJ100265 VVMMHRW C43H67N13O8S2 957.4677 NA PeJP NA NA +PJ100266 SVHHHRW C43H59N17O9 957.4682 NA PeJP NA NA +PJ100267 SSSCKKRY C39H67N13O13S 957.4702 NA PeJP NA NA +PJ100268 GGSPPKEMR C39H67N13O13S 957.4703 NA PeJP NA NA +PJ100269 PVNKEWW C47H63N11O11 957.4709 NA PeJP NA NA +PJ100270 LQMHHHR C40H63N17O9S 957.4716 NA PeJP NA NA +PJ100271 GSPDDRRR C36H63N17O14 957.4741 NA PeJP NA NA +PJ100272 GTTLLMHW C44H67N11O11S 957.4743 NA PeJP NA NA +PJ100273 LKYYWW C52H63N9O9 957.4749 NA PeJP NA NA +PJ100274 APPCCRRR C37H67N17O9S2 957.475 NA PeJP NA NA +PJ100275 SPTTTTTLH C40H67N11O16 957.4767 NA PeJP NA NA +PJ100276 GSSSTTKKY C40H67N11O16 957.4768 NA PeJP NA NA +PJ100277 GTCKKKMY C41H71N11O11S2 957.4776 NA PeJP NA NA +PJ100278 GGGAPPLKMM C41H71N11O11S2 957.4777 NA PeJP NA NA +PJ100279 SPQERRW C41H63N15O12 957.4781 NA PeJP NA NA +PJ100280 ALKMFYW C49H67N9O9S 957.4783 NA PeJP NA NA +MJ098663 Liposidomycin; Liposidomycin A-I, 7,8,10,11-Tetrahydro, desulfo C44H71N5O18 957.47941 NA MeJP NA NA +MJ098664 Liposidomycin; Liposidomycin L-I, Desulfo C44H71N5O18 957.47941 NA MeJP NA NA +PJ100281 APTLLEEW C45H67N9O14 957.4808 NA PeJP NA NA +PJ100282 AAPQEMRR C38H67N15O12S 957.4815 NA PeJP NA NA +PJ100283 APPLLMMW C46H71N9O9S2 957.4817 NA PeJP NA NA +PJ100284 GPKERWW C46H63N13O10 957.4821 NA PeJP NA NA +PJ100285 CLHHHRR C39H63N19O8S 957.4828 NA PeJP NA NA +PJ100286 TTTTLKMY C42H71N9O14S 957.4841 NA PeJP NA NA +PJ100287 PVLLQEEM C42H71N9O14S 957.4842 NA PeJP NA NA +PJ100288 NNNERRR C35H63N19O13 957.4853 NA PeJP NA NA +PJ100289 GSPPKMRW C43H67N13O10S 957.4855 NA PeJP NA NA +PJ100290 AVLHFWW C51H63N11O8 957.4861 NA PeJP NA NA +PJ100291 GPVKWWW C51H63N11O8 957.4862 NA PeJP NA NA +PJ100292 TTTTLEHR C39H67N13O15 957.488 NA PeJP NA NA +PJ100293 GTLLMMHR C40H71N13O10S2 957.4889 NA PeJP NA NA +PJ100294 GQQQRRW C40H63N17O11 957.4893 NA PeJP NA NA +PJ100295 GGGAAQRRW C40H63N17O11 957.4894 NA PeJP NA NA +PJ100296 PLKMHFW C48H67N11O8S 957.4895 NA PeJP NA NA +PJ100297 STTTLLHW C44H67N11O13 957.492 NA PeJP NA NA +PJ100298 PNEMRRR C37H67N17O11S 957.4927 NA PeJP NA NA +PJ100299 LLKMMHW C45H71N11O8S2 957.4929 NA PeJP NA NA +PJ100300 GPTRRWW C45H63N15O9 957.4934 NA PeJP NA NA +MJ098665 Kabiramide C; 47-Hydroxy C48H71N5O15 957.494666 NA MeJP NA NA +PJ100301 SSSKKKMY C41H71N11O13S 957.4954 NA PeJP NA NA +PJ100302 SVLKYYW C49H67N9O11 957.496 NA PeJP NA NA +PJ100303 GPPLLEFW C49H67N9O11 957.4961 NA PeJP NA NA +PJ100304 PVNMRRW C42H67N15O9S 957.4967 NA PeJP NA NA +PJ100305 PKRWWW C50H63N13O7 957.4974 NA PeJP NA NA +PJ100306 GSPKEERR C38H67N15O14 957.4992 NA PeJP NA NA +PJ100307 GGAALEERR C38H67N15O14 957.4993 NA PeJP NA NA +PJ100308 GPLLLEMW C46H71N9O11S 957.4994 NA PeJP NA NA +PJ100309 APPCKMRR C39H71N15O9S2 957.5001 NA PeJP NA NA +PJ100310 GNNRRRW C39H63N19O10 957.5006 NA PeJP NA NA +PJ100311 PTLLKEEE C42H71N9O16 957.5019 NA PeJP NA NA +PJ100312 PPLLKEMM C43H75N9O11S2 957.5028 NA PeJP NA NA +PJ100313 ASPTLQRW C43H67N13O12 957.5032 NA PeJP NA NA +PJ100314 PDKKERW C43H67N13O12 957.5033 NA PeJP NA NA +PJ100315 PCDRRRR C36H67N19O10S 957.504 NA PeJP NA NA +PJ100316 PKHHHFR C44H63N17O8 957.5046 NA PeJP NA NA +PJ100317 STTLLMHR C40H71N13O12S 957.5066 NA PeJP NA NA +PJ100318 GGGGGGPLKKM C40H71N13O12S 957.5067 NA PeJP NA NA +PJ100319 PVDKKWW C48H67N11O10 957.5073 NA PeJP NA NA +PJ100320 GPMRRRW C41H67N17O8S 957.508 NA PeJP NA NA +PJ100321 VNEERRR C37H67N17O13 957.5105 NA PeJP NA NA +PJ100322 VVKMRYY C45H71N11O10S 957.5106 NA PeJP NA NA +PJ100323 APPTKKMW C45H71N11O10S 957.5107 NA PeJP NA NA +PJ100324 PPLLFWW C53H67N9O8 957.5113 NA PeJP NA NA +PJ100325 PTTILEER C41H71N11O15 957.5131 NA PeJP NA NA +PJ100326 GLLLEEER C41H71N11O15 957.5132 NA PeJP NA NA +PJ100327 PPTLLMMR C42H75N11O10S2 957.514 NA PeJP NA NA +PJ100328 SPKERRW C42H67N15O11 957.5145 NA PeJP NA NA +PJ100329 PLLLMWW C50H71N9O8S 957.5147 NA PeJP NA NA +PJ100330 GVLLLEEW C46H71N9O13 957.5172 NA PeJP NA NA +PJ100331 AAPKEMRR C39H71N15O11S 957.5179 NA PeJP NA NA +PJ100332 SPVKRWW C47H67N13O9 957.5185 NA PeJP NA NA +PJ100333 GSPVLLLEM C43H75N9O13S 957.5205 NA PeJP NA NA +PJ100334 PVLLKEEM C43H75N9O13S 957.5206 NA PeJP NA NA +PJ100335 GEERRRR C36H67N19O12 957.5217 NA PeJP NA NA +PJ100336 PLQKMRW C44H71N13O9S 957.5219 NA PeJP NA NA +PJ100337 APTKKEER C40H71N13O14 957.5244 NA PeJP NA NA +PJ100338 APPKKMMR C41H75N13O9S2 957.5253 NA PeJP NA NA +PJ100339 GVERRRW C41H67N17O10 957.5257 NA PeJP NA NA +PJ100340 LLLEERW C45H71N11O12 957.5284 NA PeJP NA NA +PJ100341 PDKMRRR C38H71N17O10S 957.5291 NA PeJP NA NA +PJ100342 AALRRWW C46H67N15O8 957.5298 NA PeJP NA NA +PJ100343 SPLLLEMR C42H75N11O12S 957.5318 NA PeJP NA NA +PJ100344 VLLLEWW C50H71N9O10 957.5324 NA PeJP NA NA +PJ100345 SNNRRRR C35H67N21O11 957.5329 NA PeJP NA NA +PJ100346 GGGGSRRRR C35H67N21O11 957.533 NA PeJP NA NA +PJ100347 PCLKRRW C43H71N15O8S 957.5331 NA PeJP NA NA +PJ100348 LQKEERR C39H71N15O13 957.5356 NA PeJP NA NA +PJ100349 GGGGGGGGVKKK C39H71N15O13 957.5357 NA PeJP NA NA +PJ100350 SPVLLLMW C47H75N9O10S 957.5358 NA PeJP NA NA +PJ100351 KKKMMHR C40H75N15O8S2 957.5365 NA PeJP NA NA +PJ100352 ERRRRW C40H67N19O9 957.537 NA PeJP NA NA +PJ100353 VVLLKEEE C43H75N9O15 957.5383 NA PeJP NA NA +PJ100354 PLLLLQMM C44H79N9O10S2 957.5392 NA PeJP NA NA +PJ100355 VLQKERW C44H71N13O11 957.5396 NA PeJP NA NA +PJ100356 GGLLKERW C44H71N13O11 957.5397 NA PeJP NA NA +PJ100357 SPMRRRR C37H71N19O9S 957.5403 NA PeJP NA NA +PJ100358 VRRRWW C45H67N17O7 957.541 NA PeJP NA NA +PJ100359 GPLKKEMR C41H75N13O11S 957.543 NA PeJP NA NA +PJ100360 PTLKKWW C49H71N11O9 957.5437 NA PeJP NA NA +PJ100361 AATQQKRR C38H71N17O12 957.5468 NA PeJP NA NA +PJ100362 VDKERRR C38H71N17O12 957.5469 NA PeJP NA NA +PJ100363 GPVLKKMW C46H75N11O9S 957.547 NA PeJP NA NA +PJ100364 SVLLLEER C42H75N11O14 957.5495 NA PeJP NA NA +PJ100365 GGVLLDKKE C42H75N11O14 957.5496 NA PeJP NA NA +PJ100366 PVVLLMMR C43H79N11O9S2 957.5504 NA PeJP NA NA +PJ100367 ALKERRW C43H71N15O10 957.5509 NA PeJP NA NA +PJ100368 ATLLLLEW C47H75N9O12 957.5536 NA PeJP NA NA +PJ100369 GPTLKMRR C40H75N15O10S 957.5543 NA PeJP NA NA +PJ100370 GLLKRWW C48H71N13O8 957.5549 NA PeJP NA NA +PJ100371 VLLLLQEM C44H79N9O12S 957.5569 NA PeJP NA NA +PJ100372 SVERRRR C37H71N19O11 957.5581 NA PeJP NA NA +PJ100373 PLKKMRW C45H75N13O8S 957.5583 NA PeJP NA NA +PJ100374 GVLKKEER C41H75N13O13 957.5608 NA PeJP NA NA +PJ100375 ATLRRRW C42H71N17O9 957.5621 NA PeJP NA NA +PJ100376 AALLKKEW C46H75N11O11 957.5648 NA PeJP NA NA +PJ100377 VLQMRRR C39H75N17O9S 957.5655 NA PeJP NA NA +PJ100378 ALLLLEMR C43H79N11O11S 957.5682 NA PeJP NA NA +PJ100379 GPLLLLFW C51H75N9O9 957.5688 NA PeJP NA NA +PJ100380 LKKEERR C40H75N15O12 957.572 NA PeJP NA NA +PJ100381 GLLLLLMW C48H79N9O9S 957.5722 NA PeJP NA NA +PJ100382 APFRRRR C41H71N19O8 957.5734 NA PeJP NA NA +PJ100383 TLLLLKEE C44H79N9O14 957.5747 NA PeJP NA NA +7735 Led-NPF-II APSLRLRF~ 957.575 antioxidative Inhouse_peptide NA peptide +PJ100384 PLLLLKMM C45H83N9O9S2 957.5756 NA PeJP NA NA +PJ100385 VLKKERW C45H75N13O10 957.576 NA PeJP NA NA +PJ100386 ALMRRRR C38H75N19O8S 957.5767 NA PeJP NA NA +PJ100387 SPVLKKMR C42H79N13O10S 957.5794 NA PeJP NA NA +PJ100388 VVLKKWW C50H75N11O8 957.58 NA PeJP NA NA +MJ098666 Rapamycin; 42-O-(2-Hydroxyethyl) C53H83NO14 957.581356 NA MeJP NA NA +PJ100389 TLKERRR C39H75N17O11 957.5832 NA PeJP NA NA +PJ100390 GGKKKERR C39H75N17O11 957.5833 NA PeJP NA NA +PJ100391 TTLLLLER C43H79N11O13 957.5859 NA PeJP NA NA +MJ098667 Leptinotarsa decemlineata Peptide NPF 2 C44H75N15O9 957.587219 NA MeJP NA NA +PJ100392 SLLKRRW C44H75N15O9 957.5873 NA PeJP NA NA +PJ100393 STLLLLLW C48H79N9O11 957.5899 NA PeJP NA NA +PJ100394 GGPLLLLLY C48H79N9O11 957.59 NA PeJP NA NA +PJ100395 AALLKMRR C41H79N15O9S 957.5906 NA PeJP NA NA +PJ100396 VLLLLKEM C45H83N9O11S 957.5933 NA PeJP NA NA +PJ100397 TTLRRRR C38H75N19O10 957.5945 NA PeJP NA NA +PJ100398 VTTILQKR C42H79N13O12 957.5971 NA PeJP NA NA +PJ100399 ATLLKKER C42H79N13O12 957.5972 NA PeJP NA NA +PJ100400 GKKKRRW C43H75N17O8 957.5985 NA PeJP NA NA +PJ100401 GTLLLKKW C47H79N11O10 957.6012 NA PeJP NA NA +PJ100402 VLKMRRR C40H79N17O8S 957.6019 NA PeJP NA NA +PJ100403 SLLLLLMR C44H83N11O10S 957.6046 NA PeJP NA NA +PJ100404 ATTLLKRR C41H79N15O11 957.6084 NA PeJP NA NA +PJ100405 SSSLLLLLL C45H83N9O13 957.6111 NA PeJP NA NA +PJ100406 LQKKKKW C46H79N13O9 957.6124 NA PeJP NA NA +PJ100407 GLLLKKMR C43H83N13O9S 957.6158 NA PeJP NA NA +MJ098668 Sphinxolide A; 8-Demethoxy, 10-deoxy, 19-Me ether C54H87NO13 957.617741 NA MeJP NA NA +PJ100408 DKKKKRR C40H79N17O10 957.6196 NA PeJP NA NA +PJ100409 SLLLKKKE C44H83N11O12 957.6223 NA PeJP NA NA +PJ100410 PVLLLLKY C49H83N9O10 957.6263 NA PeJP NA NA +PJ100411 SKKKRRR C39H79N19O9 957.6309 NA PeJP NA NA +PJ100412 STLLLKKR C43H83N13O11 957.6335 NA PeJP NA NA +PJ100413 GLKKKKKE C43H83N13O11 957.6336 NA PeJP NA NA +PJ100414 ALLLLLFR C48H83N11O9 957.6376 NA PeJP NA NA +PJ100415 VVLLKKKM C45H87N11O9S 957.6409 NA PeJP NA NA +PJ100416 GTLKKKKR C42H83N15O10 957.6448 NA PeJP NA NA +MJ098669 Nephilatoxin 6 C47H83N13O8 957.648756 NA MeJP NA NA +PJ100417 LKKKKKW C47H83N13O8 957.6488 NA PeJP NA NA +PJ100418 VLLLLLKF C50H87N9O9 957.6627 NA PeJP NA NA +PJ100419 SVLKKKKK C44H87N13O10 957.6699 NA PeJP NA NA +MJ098670 Primycin; Primycin A3, 18-De(arabinosyloxy) C52H99N3O12 957.722875 NA MeJP NA NA +HMDB08782 PC(24:0/24:0) C56H112NO8P 957.812561 NA HMDB2010 NA NA +3869 vespa-like peptide from R, Erythraea FLPLLFGALSAILPKIFG 958.06895 MH2+ Inhouse_peptide NA peptide +PJ100420 CCCCCMMY C34H54N8O10S7 958.2008 NA PeJP NA NA +PJ100421 GCCCCCCQH C31H50N12O11S6 958.2047 NA PeJP NA NA +PJ100422 GCCCNDDDD C31H46N10O19S3 958.2103 NA PeJP NA NA +PJ100423 CCCCCDFY C37H50N8O12S5 958.2152 NA PeJP NA NA +PJ100424 SSCCCCCNH C31H50N12O13S5 958.2224 NA PeJP NA NA +PJ100425 SPCCCCNDD C32H50N10O16S4 958.229 NA PeJP NA NA +PJ100426 CCCCEMMH C33H54N10O11S6 958.2298 NA PeJP NA NA +PJ100427 SCCCCDYY C37H50N8O14S4 958.233 NA PeJP NA NA +PJ100428 CCCCCMFF C38H54N8O9S6 958.2338 NA PeJP NA NA +PJ100429 CDDDDDMM C33H50N8O19S3 958.2355 NA PeJP NA NA +MJ098671 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-[4-hydroxycinnamoyl-(?6)]-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) C44H47O24(+) 958.237902 NA MeJP NA NA +PJ100430 GCCCCNNNE C31H50N12O15S4 958.2402 NA PeJP NA NA +PJ100431 GCCCCCCKH C32H54N12O10S6 958.2411 NA PeJP NA NA +PJ100432 CCCCDEHF C36H50N10O13S4 958.2442 NA PeJP NA NA +PJ100433 GSCCNDDDM C32H50N10O18S3 958.2467 NA PeJP NA NA +PJ100434 GPCCCCNEM C33H54N10O13S5 958.2476 NA PeJP NA NA +PJ100435 CDDDDDDF C36H46N8O21S 958.2499 NA PeJP NA NA +PJ100436 ACCCCMYY C38H54N8O11S5 958.2516 NA PeJP NA NA +PJ100437 CCDDDDHH C34H46N12O17S2 958.2546 NA PeJP NA NA +PJ100438 CCCCNNNW C35H50N12O12S4 958.2554 NA PeJP NA NA +PJ100439 GGGGCCCCNW C35H50N12O12S4 958.2555 NA PeJP NA NA +PJ100440 SSCCCNNND C31H50N12O17S3 958.2579 NA PeJP NA NA +PJ100441 GGGGSSCCCND C31H50N12O17S3 958.258 NA PeJP NA NA +PJ100442 GPCCCCCDR C32H54N12O12S5 958.2588 NA PeJP NA NA +PJ100443 SCCCNDEW C36H50N10O15S3 958.262 NA PeJP NA NA +PJ100444 PCCCCNMW C37H54N10O10S5 958.2628 NA PeJP NA NA +PJ100445 SSSCCNDDE C32H50N10O20S2 958.2645 NA PeJP NA NA +PJ100446 CCNNDEMM C33H54N10O15S4 958.2653 NA PeJP NA NA +PJ100447 GGGGCCDEMM C33H54N10O15S4 958.2654 NA PeJP NA NA +PJ100448 TCCCMMMH C34H58N10O10S6 958.2662 NA PeJP NA NA +PJ100449 SDDDDDDY C36H46N8O23 958.2676 NA PeJP NA NA +PJ100450 PCCDDDEY C37H50N8O18S2 958.2685 NA PeJP NA NA +PJ100451 SSCCCMYY C38H54N8O13S4 958.2693 NA PeJP NA NA +PJ100452 SDDDDMMM C34H54N8O18S3 958.2719 NA PeJP NA NA +PJ100453 PCCDEMMM C35H58N8O13S5 958.2727 NA PeJP NA NA +PJ100454 CCCNDDMR C32H54N12O14S4 958.2766 NA PeJP NA NA +PJ100455 GSCCCDWW C40H50N10O12S3 958.2772 NA PeJP NA NA +PJ100456 GSSSCCDDW C36H50N10O17S2 958.2797 NA PeJP NA NA +PJ100457 GCCNDMMW C37H54N10O12S4 958.2806 NA PeJP NA NA +PJ100458 GSSSSSCDDD C32H50N10O22S 958.2822 NA PeJP NA NA +PJ100459 GSSCNDDMM C33H54N10O17S3 958.2831 NA PeJP NA NA +PJ100460 GSPCCCQMM C34H58N10O12S5 958.284 NA PeJP NA NA +PJ100461 CCCNNEHH C34H50N14O13S3 958.2844 NA PeJP NA NA +PJ100462 GGGGCCCEHH C34H50N14O13S3 958.2845 NA PeJP NA NA +PJ100463 ACCCCFFY C42H54N8O10S4 958.2846 NA PeJP NA NA +PJ100464 GDDDDEMY C37H50N8O20S 958.2863 NA PeJP NA NA +PJ100465 PCCDDEMF C38H54N8O15S3 958.2871 NA PeJP NA NA +PJ100466 GSCCCCNNR C31H54N14O13S4 958.2878 NA PeJP NA NA +PJ100467 NNDDDDDH C34H46N12O21 958.2901 NA PeJP NA NA +PJ100468 GDDEMMMM C35H58N8O15S4 958.2905 NA PeJP NA NA +PJ100469 CCNNNNDY C35H50N12O16S2 958.2909 NA PeJP NA NA +PJ100470 GGCCNNNDY C35H50N12O16S2 958.291 NA PeJP NA NA +PJ100471 GCCCCERW C36H54N12O11S4 958.2918 NA PeJP NA NA +PJ100472 GSSCCCDER C32H54N12O16S3 958.2943 NA PeJP NA NA +PJ100473 GCCNDDFW C40H50N10O14S2 958.295 NA PeJP NA NA +PJ100474 GSPCCCCMR C33H58N12O11S5 958.2952 NA PeJP NA NA +FL3FABGS0012 Acacetin 7-rhamnosyl-(1->4'')[glucosyl-(1->6'')(6'''-acetylsophoroside)] C42H54O25 958.29541 109517-74-0 knapsack NA NA +MJ098672 5,7-Dihydroxy-4'-methoxyflavone; 7-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C42H54O25 958.295417 NA MeJP NA NA +MJ098673 Jasamplexoside A; 3''-Hydroxy C42H54O25 958.295417 NA MeJP NA NA +PJ100475 CCCQMWW C41H54N10O9S4 958.2958 NA PeJP NA NA +PJ100476 GACCCMWW C41H54N10O9S4 958.2959 NA PeJP NA NA +PJ100477 SCNNDDEY C36H50N10O19S 958.2975 NA PeJP NA NA +PJ100478 SSCCNEMW C37H54N10O14S3 958.2983 NA PeJP NA NA +PJ100479 GGSSCCEMW C37H54N10O14S3 958.2984 NA PeJP NA NA +PJ100480 GCCMMMHF C38H58N10O9S5 958.2992 NA PeJP NA NA +PJ100481 GCCCNHHW C38H50N14O10S3 958.2997 NA PeJP NA NA +PJ100482 SSSSCNDEM C33H54N10O19S2 958.3008 NA PeJP NA NA +PJ100483 GGSSSSCDEM C33H54N10O19S2 958.3009 NA PeJP NA NA +PJ100484 DDDDMYW C41H50N8O17S 958.3015 NA PeJP NA NA +PJ100485 SCNNEMMM C34H58N10O14S4 958.3017 NA PeJP NA NA +PJ100486 GSSCCNDHH C34H50N14O15S2 958.3022 NA PeJP NA NA +PJ100487 CCNMYYY C42H54N8O12S3 958.3024 NA PeJP NA NA +PJ100488 SSDDDEEY C37H50N8O22 958.304 NA PeJP NA NA +PJ100489 SPCDDEMY C38H54N8O17S2 958.3049 NA PeJP NA NA +PJ100490 DDMMMMW C39H58N8O12S4 958.3057 NA PeJP NA NA +PJ100491 CCCCRWW C40H54N12O8S4 958.3071 NA PeJP NA NA +PJ100492 SSDEEMMM C35H58N8O17S3 958.3082 NA PeJP NA NA +PJ100493 GSPCNDDDH C35H50N12O18S 958.3087 NA PeJP NA NA +PJ100494 SPCEMMMM C36H62N8O12S5 958.3091 NA PeJP NA NA +PJ100495 SSCCCDRW C36H54N12O13S3 958.3096 NA PeJP NA NA +PJ100496 SSSSCCDDR C32H54N12O18S2 958.3121 NA PeJP NA NA +PJ100497 GSCNDDYW C40H50N10O16S 958.3127 NA PeJP NA NA +PJ100498 SSPTCCCCR C33H58N12O13S4 958.3129 NA PeJP NA NA +PJ100499 SCCNDMMR C33H58N12O13S4 958.313 NA PeJP NA NA +PJ100500 GSSCCMWW C41H54N10O11S3 958.3136 NA PeJP NA NA +PJ100501 GSSSNDDDY C36H50N10O21 958.3152 NA PeJP NA NA +PJ100502 GDDEEEEH C36H50N10O21 958.3153 NA PeJP NA NA +PJ100503 GSSSSCDMW C37H54N10O16S2 958.3161 NA PeJP NA NA +PJ100504 GSCNMMMW C38H58N10O11S4 958.317 NA PeJP NA NA +PJ100505 GSSSSSSDDM C33H54N10O21S 958.3186 NA PeJP NA NA +PJ100506 GPDDDDYY C41H50N8O19 958.3193 NA PeJP NA NA +PJ100507 GSSSNDMMM C34H58N10O16S3 958.3195 NA PeJP NA NA +PJ100508 CNNNNDEH C34H50N14O17S 958.3199 NA PeJP NA NA +PJ100509 GGCNNNDEH C34H50N14O17S 958.32 NA PeJP NA NA +PJ100510 DDDMMFW C42H54N8O14S2 958.3201 NA PeJP NA NA +PJ100511 GNNMMMMM C35H62N10O11S5 958.3203 NA PeJP NA NA +PJ100512 GGGNMMMMM C35H62N10O11S5 958.3204 NA PeJP NA NA +PJ100513 SCCNQMHH C35H54N14O12S3 958.3208 NA PeJP NA NA +PJ100514 GSDEEEMY C38H54N8O19S 958.3226 NA PeJP NA NA +PJ100515 GPDDMMMY C39H58N8O14S3 958.3235 NA PeJP NA NA +PJ100516 GCDDEHHF C39H50N12O15S 958.324 NA PeJP NA NA +PJ100517 SCCCCERR C32H58N14O12S4 958.3242 NA PeJP NA NA +PJ100518 PPCCMMMF C40H62N8O9S5 958.3244 NA PeJP NA NA +PJ100519 CDMMHHW C40H54N12O10S3 958.3248 NA PeJP NA NA +PJ100520 GGPPCCCHW C40H54N12O10S3 958.3249 NA PeJP NA NA +PJ100521 SNNDDEEH C35H50N12O20 958.3265 NA PeJP NA NA +PJ100522 GTEEMMMM C36H62N8O14S4 958.3269 NA PeJP NA NA +PJ100523 GCCNDERY C36H54N12O15S2 958.3273 NA PeJP NA NA +PJ100524 GGGCCDERY C36H54N12O15S2 958.3274 NA PeJP NA NA +PJ100525 GPMMMMMM C37H66N8O9S6 958.3277 NA PeJP NA NA +PJ100526 GTCCCMRW C37H58N12O10S4 958.3282 NA PeJP NA NA +PJ100527 GCCEHHHH C37H50N16O11S2 958.3287 NA PeJP NA NA +PJ100528 SSSSSSSCNN C32H54N12O20S 958.3298 NA PeJP NA NA +PJ100529 DDEEEHW C40H50N10O18 958.3305 NA PeJP NA NA +PJ100530 GSSSCCEMR C33H58N12O15S3 958.3307 NA PeJP NA NA +PJ100531 SSSTCCWW C41H54N10O13S2 958.3314 NA PeJP NA NA +PJ100532 GCCQMMMR C34H62N12O10S5 958.3316 NA PeJP NA NA +PJ100533 SCCCNHHR C34H54N16O11S3 958.3321 NA PeJP NA NA +PJ100534 CCCKMWW C42H58N10O8S4 958.3322 NA PeJP NA NA +PJ100535 SSSSSSCEW C37H54N10O18S 958.3338 NA PeJP NA NA +PJ100536 SSSSSTCDW C37H54N10O18S 958.3339 NA PeJP NA NA +PJ100537 DDDDFFW C45H50N8O16 958.3345 NA PeJP NA NA +PJ100538 SSSCQMMW C38H58N10O13S3 958.3347 NA PeJP NA NA +PJ100539 GGGGGDMMMF C38H58N10O13S3 958.3348 NA PeJP NA NA +PJ100540 GCNNNDHW C38H50N14O14S 958.3352 NA PeJP NA NA +PJ100541 CCNFFYY C46H54N8O11S2 958.3354 NA PeJP NA NA +PJ100542 SSSSSSSSDE C33H54N10O23 958.3364 NA PeJP NA NA +PJ100543 SSSSSNEMM C34H58N10O18S2 958.3372 NA PeJP NA NA +PJ100544 GSSNNNDDH C34H50N14O19 958.3377 NA PeJP NA NA +PJ100545 SDEEMYW C42H54N8O16S 958.3379 NA PeJP NA NA +PJ100546 SSNQMMMM C35H62N10O13S4 958.3381 NA PeJP NA NA +PJ100547 PCCNDDHR C35H54N14O14S2 958.3386 NA PeJP NA NA +PJ100548 PCEMMYW C43H58N8O11S3 958.3387 NA PeJP NA NA +PJ100549 PPCCDMFF C43H58N8O11S3 958.3388 NA PeJP NA NA +PJ100550 CDDHHFW C43H50N12O12S 958.3392 NA PeJP NA NA +PJ100551 SSSEEEEY C38H54N8O21 958.3404 NA PeJP NA NA +PJ100552 QEEEMMY C39H58N8O16S2 958.3413 NA PeJP NA NA +PJ100553 GSNDDEHW C39H50N12O17 958.3417 NA PeJP NA NA +PJ100554 TEMMMMW C40H62N8O11S4 958.3421 NA PeJP NA NA +PJ100555 CCNDRYW C40H54N12O12S2 958.3426 NA PeJP NA NA +PJ100556 GCCCMMRR C33H62N14O9S5 958.3428 NA PeJP NA NA +PJ100557 CCHHHHW C41H50N16O8S2 958.3439 NA PeJP NA NA +PJ100558 STTEEMMM C36H62N8O16S3 958.3446 NA PeJP NA NA +PJ100559 SSCNDDRY C36H54N12O17S 958.3451 NA PeJP NA NA +PJ100560 GVEMMMMM C37H66N8O11S5 958.3455 NA PeJP NA NA +PJ100561 SSSCCMRW C37H58N12O12S3 958.346 NA PeJP NA NA +PJ100562 SSCDHHHH C37H50N16O13S 958.3464 NA PeJP NA NA +PJ100563 GCNMYWW C45H54N10O10S2 958.3466 NA PeJP NA NA +PJ100564 SSSSSCDMR C33H58N12O17S2 958.3485 NA PeJP NA NA +PJ100565 GSSNDMYW C41H54N10O15S 958.3491 NA PeJP NA NA +PJ100566 SSCNMMMR C34H62N12O12S4 958.3493 NA PeJP NA NA +PJ100567 GPCCCKYW C42H58N10O10S3 958.35 NA PeJP NA NA +PJ100568 GSSSSNEEY C37H54N10O20 958.3516 NA PeJP NA NA +PJ100569 GSSSSSMMW C38H58N10O15S2 958.3525 NA PeJP NA NA +PJ100570 SPDDDHHH C38H50N14O16 958.353 NA PeJP NA NA +PJ100571 PCDEFYW C46H54N8O13S 958.3531 NA PeJP NA NA +PJ100572 GTCCKMMW C39H62N10O10S4 958.3534 NA PeJP NA NA +PJ100573 GCNNMHHF C39H54N14O11S2 958.3538 NA PeJP NA NA +PJ100574 GGGGGCMHHF C39H54N14O11S2 958.3539 NA PeJP NA NA +PJ100575 GSSSSSSTEM C34H58N10O20S 958.355 NA PeJP NA NA +PJ100576 GSPDEEYY C42H54N8O18 958.3556 NA PeJP NA NA +PJ100577 GGEEEEFY C42H54N8O18 958.3557 NA PeJP NA NA +PJ100578 GSSSTQMMM C35H62N10O15S3 958.3559 NA PeJP NA NA +PJ100579 GNDDDMHR C35H54N14O16S 958.3563 NA PeJP NA NA +PJ100580 GGGDDDMHR C35H54N14O16S 958.3564 NA PeJP NA NA +PJ100581 AEEMMYW C43H58N8O13S2 958.3565 NA PeJP NA NA +PJ100582 EMMMMMR C36H66N10O10S5 958.3567 NA PeJP NA NA +PJ100583 SNDDHWW C43H50N12O14 958.357 NA PeJP NA NA +PJ100584 GCCCDFRR C36H58N14O11S3 958.3572 NA PeJP NA NA +PJ100585 PCCQHWW C44H54N12O9S2 958.3579 NA PeJP NA NA +PJ100586 GTTEEEMY C39H58N8O18S 958.359 NA PeJP NA NA +PJ100587 GPTEMMMY C40H62N8O13S3 958.3599 NA PeJP NA NA +PJ100588 GCNNNQFY C40H54N12O14S 958.3603 NA PeJP NA NA +PJ100589 NNEEMHW C40H54N12O14S 958.3604 NA PeJP NA NA +PJ100590 STCCCMRR C33H62N14O11S4 958.3606 NA PeJP NA NA +PJ100591 VMMMMMW C41H66N8O8S5 958.3608 NA PeJP NA NA +PJ100592 CCNMFRW C41H58N12O9S3 958.3612 NA PeJP NA NA +PJ100593 SSSSSNNNY C36H54N12O19 958.3628 NA PeJP NA NA +PJ100594 GGGGSSSSSNY C36H54N12O19 958.3629 NA PeJP NA NA +PJ100595 SSLEMMMM C37H66N8O13S4 958.3633 NA PeJP NA NA +PJ100596 GSCNEMRY C37H58N12O14S2 958.3637 NA PeJP NA NA +PJ100597 GGGGGGPPPTCC C37H58N12O14S2 958.3638 NA PeJP NA NA +PJ100598 GNNDEHHH C37H50N16O15 958.3642 NA PeJP NA NA +PJ100599 SSCQYWW C45H54N10O12S 958.3644 NA PeJP NA NA +PJ100600 PCCCCKFR C38H62N12O9S4 958.3646 NA PeJP NA NA +PJ100601 GTCMHHHH C38H54N16O10S2 958.3651 NA PeJP NA NA +PJ100602 SSSSNEYW C41H54N10O17 958.3669 NA PeJP NA NA +PJ100603 GSSSTCMMR C34H62N12O14S3 958.3671 NA PeJP NA NA +PJ100604 SCNNNDHR C34H54N16O15S 958.3676 NA PeJP NA NA +PJ100605 SNQMMYW C42H58N10O12S2 958.3677 NA PeJP NA NA +PJ100606 GGGGTMMYW C42H58N10O12S2 958.3678 NA PeJP NA NA +PJ100607 GCCKMMMR C35H66N12O9S5 958.368 NA PeJP NA NA +MJ098674 Jaspofoliamoside E C44H62O23 958.368188 NA MeJP NA NA +PJ100608 SSSSSSTMW C38H58N10O17S 958.3702 NA PeJP NA NA +PJ100609 GGGGSTTEMY C38H58N10O17S 958.3703 NA PeJP NA NA +PJ100610 SPDEYYW C46H54N8O15 958.3709 NA PeJP NA NA +PJ100611 SSSCKMMW C39H62N10O12S3 958.3711 NA PeJP NA NA +PJ100612 CNDEHRW C39H54N14O13S 958.3716 NA PeJP NA NA +PJ100613 PPCMYYW C47H58N8O10S2 958.3718 NA PeJP NA NA +PJ100614 SSSSSSSTTE C34H58N10O22 958.3727 NA PeJP NA NA +PJ100615 SSSSSDKMM C35H62N10O17S2 958.3736 NA PeJP NA NA +PJ100616 SSNDDEHR C35H54N14O18 958.3741 NA PeJP NA NA +PJ100617 TTEEMYW C43H58N8O15S 958.3743 NA PeJP NA NA +PJ100618 SSNKMMMM C36H66N10O12S4 958.3745 NA PeJP NA NA +PJ100619 GSCCDRRY C36H58N14O13S2 958.375 NA PeJP NA NA +PJ100620 PTMMMYW C44H62N8O10S3 958.3751 NA PeJP NA NA +PJ100621 GNEMHWW C44H54N12O11S 958.3756 NA PeJP NA NA +PJ100622 STTTEEEY C39H58N8O20 958.3768 NA PeJP NA NA +PJ100623 KEEEMMY C40H62N8O15S2 958.3776 NA PeJP NA NA +PJ100624 PPPEEEMM C40H62N8O15S2 958.3777 NA PeJP NA NA +PJ100625 GSSQEEHW C40H54N12O16 958.3781 NA PeJP NA NA +PJ100626 GPVMMMMY C41H66N8O10S4 958.3785 NA PeJP NA NA +PJ100627 SCNMRYW C41H58N12O11S2 958.379 NA PeJP NA NA +PJ100628 NNDHHHW C41H50N16O12 958.3794 NA PeJP NA NA +PJ100629 GGNDHHHW C41H50N16O12 958.3795 NA PeJP NA NA +PJ100630 GCNFFWW C49H54N10O9S 958.3796 NA PeJP NA NA +PJ100631 SSSNDMRY C37H58N12O16S 958.3815 NA PeJP NA NA +PJ100632 ATLMMMMM C38H70N8O10S5 958.3819 NA PeJP NA NA +PJ100633 GSSSSYWW C45H54N10O14 958.3821 NA PeJP NA NA +PJ100634 NNMMMRY C38H62N12O11S3 958.3823 NA PeJP NA NA +PJ100635 GGNMMMRY C38H62N12O11S3 958.3824 NA PeJP NA NA +MJ098675 Acmycin C33H68NO30 958.382614 NA MeJP NA NA +PJ100636 SSSMHHHH C38H54N16O12S 958.3828 NA PeJP NA NA +PJ100637 ACCKYWW C46H58N10O9S2 958.383 NA PeJP NA NA +PJ100638 SSSSSSMMR C34H62N12O16S2 958.3848 NA PeJP NA NA +PJ100639 NNNNNNQQ C34H54N16O17 958.3853 NA PeJP NA NA +PJ100640 GGGGGGGGGGGGQQ C34H54N16O17 958.3854 NA PeJP NA NA +PJ100641 GSSTQMYW C42H58N10O14S 958.3855 NA PeJP NA NA +PJ100642 STCCKMMR C35H66N12O11S4 958.3857 NA PeJP NA NA +PJ100643 EEFYWW C50H54N8O12 958.3862 NA PeJP NA NA +PJ100644 CNKMMFW C43H62N10O9S3 958.3864 NA PeJP NA NA +PJ100645 GCDHRWW C43H54N14O10S 958.3869 NA PeJP NA NA +PJ100646 GSSSSDKEY C38H58N10O19 958.388 NA PeJP NA NA +PJ100647 TEEMMRY C39H62N10O14S2 958.3889 NA PeJP NA NA +PJ100648 SSSNNQHW C39H54N14O15 958.3893 NA PeJP NA NA +PJ100649 GSSDDHRW C39H54N14O15 958.3894 NA PeJP NA NA +PJ100650 APEMYYW C47H58N8O12S 958.3895 NA PeJP NA NA +PJ100651 PMMMMRY C40H66N10O9S4 958.3897 NA PeJP NA NA +PJ100652 PCCCKKMF C40H66N10O9S4 958.3898 NA PeJP NA NA +PJ100653 GPTCCHRW C40H58N14O10S2 958.3902 NA PeJP NA NA +PJ100654 NMHWWW C48H54N12O8S 958.3909 NA PeJP NA NA +PJ100655 SSSSSSSSLM C35H62N10O19S 958.3914 NA PeJP NA NA +PJ100656 VQEEEYY C43H58N8O17 958.392 NA PeJP NA NA +PJ100657 GSSSTKMMM C36H66N10O14S3 958.3922 NA PeJP NA NA +PJ100658 GSNEEMHR C36H58N14O15S 958.3927 NA PeJP NA NA +PJ100659 GGGGGGGGGAPQM C36H58N14O15S 958.3928 NA PeJP NA NA +PJ100660 SLEMMYW C44H62N8O12S2 958.3929 NA PeJP NA NA +PJ100661 GCKKMMMM C37H70N10O9S5 958.3931 NA PeJP NA NA +PJ100662 SSQEHWW C44H54N12O13 958.3934 NA PeJP NA NA +PJ100663 CCQMRRY C37H62N14O10S3 958.3936 NA PeJP NA NA +PJ100664 PCCKHWW C45H58N12O8S2 958.3942 NA PeJP NA NA +PJ100665 SSTLEEMY C40H62N8O17S 958.3954 NA PeJP NA NA +MJ098676 RA-IX; 5''-De-O-Me, 5''-O-?-D-glucopyranoside C48H58N6O15 958.396015 NA MeJP NA NA +PJ100666 AALEMMMY C41H66N8O12S3 958.3963 NA PeJP NA NA +PJ100667 GSSTCRYW C41H58N12O13S 958.3967 NA PeJP NA NA +PJ100668 GPPCDERW C41H58N12O13S 958.3968 NA PeJP NA NA +PJ100669 NQYYWW C49H54N10O11 958.3974 NA PeJP NA NA +PJ100670 GGGGGCCHRR C34H58N18O11S2 958.3975 NA PeJP NA NA +PJ100671 NMHHHHF C42H54N16O9S 958.3981 NA PeJP NA NA +PJ100672 GSSSSSERY C37H58N12O18 958.3992 NA PeJP NA NA +PJ100673 GPNEEEER C37H58N12O18 958.3993 NA PeJP NA NA +PJ100674 TTTLMMMM C38H70N8O12S4 958.3996 NA PeJP NA NA +PJ100675 GSSQMMRY C38H62N12O13S2 958.4001 NA PeJP NA NA +PJ100676 DEEHHHR C38H54N16O14 958.4006 NA PeJP NA NA +PJ100677 SSCKYWW C46H58N10O11S 958.4007 NA PeJP NA NA +PJ100678 PPNEMWW C46H58N10O11S 958.4008 NA PeJP NA NA +PJ100679 SSSTTQYW C42H58N10O16 958.4032 NA PeJP NA NA +PJ100680 SSSSDKYW C42H58N10O16 958.4033 NA PeJP NA NA +PJ100681 SSNNNMHR C35H58N16O14S 958.4039 NA PeJP NA NA +PJ100682 GSCDEHRR C35H58N16O14S 958.404 NA PeJP NA NA +PJ100683 SNKMMYW C43H62N10O11S2 958.4041 NA PeJP NA NA +PJ100684 GGGGGVMMFF C43H62N10O11S2 958.4042 NA PeJP NA NA +PJ100685 NNNQHFW C43H54N14O12 958.4046 NA PeJP NA NA +PJ100686 PPCFFYW C51H58N8O9S 958.4048 NA PeJP NA NA +PJ100687 SSSQKEMY C39H62N10O16S 958.4066 NA PeJP NA NA +PJ100688 GGAAPPTEEM C39H62N10O16S 958.4067 NA PeJP NA NA +PJ100689 GLEEYYW C47H58N8O14 958.4073 NA PeJP NA NA +PJ100690 VEMMMRY C40H66N10O11S3 958.4075 NA PeJP NA NA +PJ100691 SNEMHRW C40H58N14O12S 958.408 NA PeJP NA NA +PJ100692 PCLMFYW C48H62N8O9S2 958.4082 NA PeJP NA NA +PJ100693 GSTHWWW C48H54N12O10 958.4086 NA PeJP NA NA +PJ100694 SSSSSTTTTT C35H62N10O21 958.4091 NA PeJP NA NA +PJ100695 SSSSTTKMM C36H66N10O16S2 958.41 NA PeJP NA NA +PJ100696 GPDDDERR C36H58N14O17 958.4105 NA PeJP NA NA +PJ100697 SPPTTMYY C44H62N8O14S 958.4106 NA PeJP NA NA +PJ100698 PKEEMYY C44H62N8O14S 958.4107 NA PeJP NA NA +PJ100699 STCKKMMM C37H70N10O11S4 958.4109 NA PeJP NA NA +PJ100700 GSSCMRRY C37H62N14O12S2 958.4113 NA PeJP NA NA +PJ100701 GAQEMMHR C37H62N14O12S2 958.4114 NA PeJP NA NA +PJ100702 VVMMMYW C45H66N8O9S3 958.4115 NA PeJP NA NA +PJ100703 GSNDHHHR C37H54N18O13 958.4118 NA PeJP NA NA +PJ100704 PPCDRWW C45H58N12O10S 958.412 NA PeJP NA NA +PJ100705 PVVEEEEE C40H62N8O19 958.4132 NA PeJP NA NA +PJ100706 ATTLEMMY C41H66N8O14S2 958.414 NA PeJP NA NA +PJ100707 SSSSSRYW C41H58N12O15 958.4145 NA PeJP NA NA +PJ100708 GVLMMMMF C42H70N8O9S4 958.4149 NA PeJP NA NA +PJ100709 TCCKRYW C42H62N12O10S2 958.4154 NA PeJP NA NA +PJ100710 SQQHHHW C42H54N16O11 958.4158 NA PeJP NA NA +PJ100711 GGGATHHHW C42H54N16O11 958.4159 NA PeJP NA NA +PJ100712 GPPMWWW C50H58N10O8S 958.416 NA PeJP NA NA +PJ100713 SSSTQMRY C38H62N12O15S 958.4179 NA PeJP NA NA +PJ100714 PVNEEWW C46H58N10O13 958.4185 NA PeJP NA NA +PJ100715 CQKMMRY C39H66N12O10S3 958.4187 NA PeJP NA NA +PJ100716 GAPPPCMMR C39H66N12O10S3 958.4188 NA PeJP NA NA +PJ100717 SCDHRRW C39H58N16O11S 958.4192 NA PeJP NA NA +PJ100718 CKMHFFF C47H62N10O8S2 958.4194 NA PeJP NA NA +PJ100719 SSSDDHRR C35H58N16O16 958.4217 NA PeJP NA NA +PJ100720 GGGGGGGGGAAER C35H58N16O16 958.4218 NA PeJP NA NA +PJ100721 GSSTKMYW C43H62N10O13S 958.4219 NA PeJP NA NA +PJ100722 LEYYWW C51H58N8O11 958.4225 NA PeJP NA NA +PJ100723 NDMMHRR C36H62N16O11S2 958.4226 NA PeJP NA NA +PJ100724 PMMMFFR C44H66N10O8S3 958.4228 NA PeJP NA NA +PJ100725 GSMHRWW C44H58N14O9S 958.4232 NA PeJP NA NA +PJ100726 HHFFWW C52H54N12O7 958.4239 NA PeJP NA NA +PJ100727 GSSSTTKEY C39H62N10O18 958.4244 NA PeJP NA NA +PJ100728 GSDKKMMY C40H66N10O13S2 958.4253 NA PeJP NA NA +PJ100729 PDDDRRW C40H58N14O14 958.4257 NA PeJP NA NA +PJ100730 GGGGGSPERW C40H58N14O14 958.4258 NA PeJP NA NA +PJ100731 SPLMYYW C48H62N8O11S 958.4259 NA PeJP NA NA +PJ100732 LMMMMFR C41H70N10O8S4 958.4261 NA PeJP NA NA +PJ100733 AQMMHRW C41H62N14O9S2 958.4266 NA PeJP NA NA +PJ100734 GPTHHHHH C41H54N18O10 958.4271 NA PeJP NA NA +PJ100735 VKEEEYY C44H62N8O16 958.4284 NA PeJP NA NA +MJ098677 Chitinovorin D C37H62N14O14S 958.429063 NA MeJP NA NA +PJ100736 SSSTCRRY C37H62N14O14S 958.4291 NA PeJP NA NA +PJ100737 AAPLMMYY C45H66N8O11S2 958.4293 NA PeJP NA NA +PJ100738 SSKEHWW C45H58N12O12 958.4297 NA PeJP NA NA +PJ100739 GPEERWW C45H58N12O12 958.4298 NA PeJP NA NA +PJ100740 CCKMRRY C38H66N14O9S3 958.43 NA PeJP NA NA +PJ100741 NQMHHHR C38H58N18O10S 958.4304 NA PeJP NA NA +PJ100742 GGQMHHHR C38H58N18O10S 958.4305 NA PeJP NA NA +PJ100743 TTTTLEMY C41H66N8O16S 958.4318 NA PeJP NA NA +PJ100744 GTLLMMMY C42H70N8O11S3 958.4327 NA PeJP NA NA +PJ100745 GNNNNDRR C34H58N18O15 958.4329 NA PeJP NA NA +PJ100746 GGGNNNDRR C34H58N18O15 958.433 NA PeJP NA NA +PJ100747 GSPPEMRW C42H62N12O12S 958.4331 NA PeJP NA NA +PJ100748 GGGGGGAPLMW C42H62N12O12S 958.4332 NA PeJP NA NA +PJ100749 GPVEWWW C50H58N10O10 958.4338 NA PeJP NA NA +PJ100750 GSSSTTTRY C38H62N12O17 958.4356 NA PeJP NA NA +PJ100751 AAAAAAAANEE C38H62N12O17 958.4357 NA PeJP NA NA +PJ100752 GSSKMMRY C39H66N12O12S2 958.4365 NA PeJP NA NA +PJ100753 NNNQQRW C39H58N16O13 958.437 NA PeJP NA NA +PJ100754 ASPPCLWW C47H62N10O10S 958.4371 NA PeJP NA NA +PJ100755 PPDKMWW C47H62N10O10S 958.4372 NA PeJP NA NA +PJ100756 ACMHRRW C40H62N16O8S2 958.4378 NA PeJP NA NA +PJ100757 SSSTTKYW C43H62N10O15 958.4396 NA PeJP NA NA +PJ100758 AAPKEEEW C43H62N10O15 958.4397 NA PeJP NA NA +PJ100759 GSSEMHRR C36H62N16O13S 958.4403 NA PeJP NA NA +PJ100760 GGGPNDMRR C36H62N16O13S 958.4404 NA PeJP NA NA +PJ100761 TCKKMYW C44H66N10O10S2 958.4405 NA PeJP NA NA +PJ100762 SSTHRWW C44H58N14O11 958.441 NA PeJP NA NA +PJ100763 PCLFFFW C52H62N8O8S 958.4412 NA PeJP NA NA +PJ100764 CNHHHRR C37H58N20O9S 958.4417 NA PeJP NA NA +PJ100765 SSSKKEMY C40H66N10O15S 958.443 NA PeJP NA NA +PJ100766 SVLEYYW C48H62N8O13 958.4437 NA PeJP NA NA +PJ100767 QKKMMMY C41H70N10O10S3 958.4439 NA PeJP NA NA +PJ100768 ACQRRYY C41H62N14O11S 958.4443 NA PeJP NA NA +PJ100769 SDKMHRW C41H62N14O11S 958.4444 NA PeJP NA NA +PJ100770 VVMMFFW C49H66N8O8S2 958.4445 NA PeJP NA NA +PJ100771 PERWWW C49H58N12O9 958.445 NA PeJP NA NA +PJ100772 ATQQQQQQ C37H62N14O16 958.4468 NA PeJP NA NA +PJ100773 GSPEEERR C37H62N14O16 958.4469 NA PeJP NA NA +PJ100774 LLQEMYY C45H66N8O13S 958.447 NA PeJP NA NA +PJ100775 PPPLEEMF C45H66N8O13S 958.4471 NA PeJP NA NA +PJ100776 GPPDMMRR C38H66N14O11S2 958.4477 NA PeJP NA NA +PJ100777 GGGGPPCKMR C38H66N14O11S2 958.4478 NA PeJP NA NA +PJ100778 GSTQHHHR C38H58N18O12 958.4482 NA PeJP NA NA +PJ100779 SPPMRWW C46H62N12O9S 958.4484 NA PeJP NA NA +PJ100780 PVWWWW C54H58N10O7 958.449 NA PeJP NA NA +PJ100781 PTLLEEEE C41H66N8O18 958.4496 NA PeJP NA NA +PJ100782 STTLLMMY C42H70N8O13S2 958.4504 NA PeJP NA NA +PJ100783 PDKEERW C42H62N12O14 958.4509 NA PeJP NA NA +PJ100784 AAPPMMRW C43H66N12O9S2 958.4518 NA PeJP NA NA +PJ100785 SQKHHHW C43H58N16O10 958.4522 NA PeJP NA NA +PJ100786 SSSTKMRY C39H66N12O14S 958.4542 NA PeJP NA NA +PJ100787 GPLQEEMR C39H66N12O14S 958.4543 NA PeJP NA NA +PJ100788 PVDKEWW C47H62N10O12 958.4549 NA PeJP NA NA +PJ100789 CKKMMRY C40H70N12O9S3 958.4551 NA PeJP NA NA +PJ100790 SSMHRRW C40H62N16O10S 958.4556 NA PeJP NA NA +PJ100791 QHFRWW C48H58N14O8 958.4562 NA PeJP NA NA +PJ100792 GAHFRWW C48H58N14O8 958.4563 NA PeJP NA NA +PJ100793 SSSTEHRR C36H62N16O15 958.4581 NA PeJP NA NA +PJ100794 APPTKEMW C44H66N10O12S 958.4583 NA PeJP NA NA +PJ100795 APLFYYW C52H62N8O10 958.4589 NA PeJP NA NA +PJ100796 TQMMHRR C37H66N16O10S2 958.459 NA PeJP NA NA +PJ100797 VLMHHHW C45H62N14O8S 958.4596 NA PeJP NA NA +PJ100798 SSSSSTLKY C40H66N10O17 958.4608 NA PeJP NA NA +PJ100799 GTTKKMMY C41H70N10O12S2 958.4616 NA PeJP NA NA +PJ100800 SVLLEMMH C41H70N10O12S2 958.4617 NA PeJP NA NA +8328 ACE inhibitor VYNEGLPAP 958.4619 Tripeptides ;SYN:3-[[2-amino-2-[(carboxymethyl)carbamoyl]ethyl]dithio]-Alanine; L-cysteinyl-Glycine disulfide; Cystinylglycine; Cystinyl-GLY; (R)-N-(3-((2-amino-2-carboxyethyl)dithio)-ala)-GlyH2Blood Inhouse_peptide NA peptide +PJ100801 SPEERRW C41H62N14O13 958.4621 NA PeJP NA NA +PJ100802 GGGGGGGGGLKW C41H62N14O13 958.4622 NA PeJP NA NA +PJ100803 ALLMYYW C49H66N8O10S 958.4623 NA PeJP NA NA +PJ100804 AKMMHRW C42H66N14O8S2 958.463 NA PeJP NA NA +PJ100805 AALHHHHH C42H58N18O9 958.4635 NA PeJP NA NA +PJ100806 GTTLLEYY C45H66N8O15 958.4648 NA PeJP NA NA +PJ100807 AAPEEMRR C38H66N14O13S 958.4655 NA PeJP NA NA +PJ100808 AALLMMFY C46H70N8O10S2 958.4657 NA PeJP NA NA +PJ100809 SPVERWW C46H62N12O11 958.4661 NA PeJP NA NA +PJ100810 AAAAAVNWW C46H62N12O11 958.4662 NA PeJP NA NA +PJ100811 GPPCHHRR C39H62N18O9S 958.4668 NA PeJP NA NA +PJ100812 PVLLEEEM C42H70N8O15S 958.4682 NA PeJP NA NA +PJ100813 NNDERRR C35H62N18O14 958.4693 NA PeJP NA NA +PJ100814 GGGGDERRR C35H62N18O14 958.4694 NA PeJP NA NA +PJ100815 PLQEMRW C43H66N12O11S 958.4695 NA PeJP NA NA +MJ098678 Napavin C51H62N10O9 958.470123 NA MeJP NA NA +PJ100816 APTLWWW C51H62N10O9 958.4702 NA PeJP NA NA +PJ100817 APTKEEER C39H66N12O16 958.472 NA PeJP NA NA +PJ100818 APPKEMMR C40H70N12O11S2 958.4729 NA PeJP NA NA +PJ100819 ANQERRW C40H62N16O12 958.4733 NA PeJP NA NA +PJ100820 GQQERRW C40H62N16O12 958.4734 NA PeJP NA NA +PJ100821 PVLQMWW C48H66N10O9S 958.4735 NA PeJP NA NA +PJ100822 VHHHHHR C41H58N20O8 958.4747 NA PeJP NA NA +PJ100823 GPTLKEEW C44H66N10O14 958.476 NA PeJP NA NA +PJ100824 AAAALLDEW C44H66N10O14 958.4761 NA PeJP NA NA +PJ100825 PDEMRRR C37H66N16O12S 958.4767 NA PeJP NA NA +PJ100826 GPPLKMMW C45H70N10O9S2 958.4769 NA PeJP NA NA +MJ098679 12-Oleanene-3,21,22,24-tetrol, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside], 22-O-?-L-arabinopyranoside C47H74O20 958.477344 NA MeJP NA NA +MJ098680 17,22,24-Trihydroxy-28,29-hopanedioic acid, 28?22 Lactone, 24-O-[?-L-arabinopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C47H74O20 958.477344 NA MeJP NA NA +PJ100827 GVQQRWW C45H62N14O10 958.4774 NA PeJP NA NA +PJ100828 STTTKKMY C41H70N10O14S 958.4794 NA PeJP NA NA +PJ100829 TTLLYYW C49H66N8O12 958.48 NA PeJP NA NA +PJ100830 GAPLLYYY C49H66N8O12 958.4801 NA PeJP NA NA +PJ100831 KKKMMMY C42H74N10O9S3 958.4803 NA PeJP NA NA +7748 ACE inhibitor from Yellowfish sole frame MIFPGGPQL 958.4804 antioxidative Inhouse_peptide NA peptide +PJ100832 TTKMHRW C42H66N14O10S 958.4807 NA PeJP NA NA +PJ100833 PVDMRRW C42H66N14O10S 958.4808 NA PeJP NA NA +PJ100834 APPFRWW C50H62N12O8 958.4814 NA PeJP NA NA +PJ100835 APTTEERR C38H66N14O15 958.4832 NA PeJP NA NA +PJ100836 LQEEERR C38H66N14O15 958.4833 NA PeJP NA NA +PJ100837 LLKEMYY C46H70N8O12S 958.4834 NA PeJP NA NA +8095 peptide derived from rice endosperm protein FRDEHKK 958.4839 ACE inhibitor Inhouse_peptide NA peptide +PJ100838 APPTMMRR C39H70N14O10S2 958.4841 NA PeJP NA NA +PJ100839 GNDRRRW C39H62N18O11 958.4846 NA PeJP NA NA +PJ100840 APLMRWW C47H66N12O8S 958.4848 NA PeJP NA NA +PJ100841 VVLLEEEE C42H70N8O17 958.4859 NA PeJP NA NA +PJ100842 VLQEERW C43H66N12O13 958.4873 NA PeJP NA NA +PJ100843 GSPCQRRR C36H66N18O11S 958.488 NA PeJP NA NA +PJ100844 VKKMMHW C44H70N12O8S2 958.4881 NA PeJP NA NA +PJ100845 QQRRWW C44H62N16O9 958.4886 NA PeJP NA NA +PJ100846 APLDKEMR C40H70N12O13S 958.4906 NA PeJP NA NA +PJ100847 GPLKEEMR C40H70N12O13S 958.4907 NA PeJP NA NA +PJ100848 PTLKEWW C48H66N10O11 958.4913 NA PeJP NA NA +PJ100849 PCNKRRW C41H66N16O9S 958.492 NA PeJP NA NA +PJ100850 KHFRWW C49H62N14O7 958.4926 NA PeJP NA NA +PJ100851 VDEERRR C37H66N16O14 958.4945 NA PeJP NA NA +PJ100852 VQKKMYY C45H70N10O11S 958.4946 NA PeJP NA NA +PJ100853 GPVLKEMW C45H70N10O11S 958.4947 NA PeJP NA NA +PJ100854 ALLFFYW C53H66N8O9 958.4953 NA PeJP NA NA +PJ100855 TKMMHRR C38H70N16O9S2 958.4954 NA PeJP NA NA +PJ100856 SPLKKEEE C41H70N10O16 958.4972 NA PeJP NA NA +PJ100857 TTLLLMMH C42H74N10O11S2 958.498 NA PeJP NA NA +PJ100858 GGGAPLLLMM C42H74N10O11S2 958.4981 NA PeJP NA NA +PJ100859 ALEERRW C42H66N14O12 958.4985 NA PeJP NA NA +PJ100860 AALLMFFF C50H70N8O9S 958.4987 NA PeJP NA NA +PJ100861 APHHRRW C43H62N18O8 958.4999 NA PeJP NA NA +PJ100862 SSTLLLYY C46H70N8O14 958.5012 NA PeJP NA NA +PJ100863 GPTLEMRR C39H70N14O12S 958.5019 NA PeJP NA NA +MJ098681 Aedes aegypti Allatostatins; Allatostatin 2 C47H66N12O10 958.502486 NA MeJP NA NA +PJ100864 GLLERWW C47H66N12O10 958.5025 NA PeJP NA NA +PJ100865 GMHFRRR C40H66N18O8S 958.5032 NA PeJP NA NA +PJ100866 SQQERRR C36H66N18O13 958.5057 NA PeJP NA NA +PJ100867 PLKEMRW C44H70N12O10S 958.5059 NA PeJP NA NA +PJ100868 GVLLWWW C52H66N10O8 958.5066 NA PeJP NA NA +PJ100869 GVLKEEER C40H70N12O15 958.5084 NA PeJP NA NA +PJ100870 SPPLKMMR C41H74N12O10S2 958.5093 NA PeJP NA NA +PJ100871 GQKERRW C41H66N16O11 958.5097 NA PeJP NA NA +PJ100872 GGAKERRW C41H66N16O11 958.5098 NA PeJP NA NA +PJ100873 PVLKMWW C49H70N10O8S 958.5099 NA PeJP NA NA +PJ100874 AALLKEEW C45H70N10O13 958.5124 NA PeJP NA NA +PJ100875 GSPQKMRR C38H70N16O11S 958.5131 NA PeJP NA NA +PJ100876 KKKMMFF C46H74N10O8S2 958.5133 NA PeJP NA NA +C15428 Asiaticoside C48H78O19 958.5137 NA KEGG NA NA +MJ098682 11,13(18)-Oleanadiene-3,16,21,23,28-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098683 11,13(18)-Oleanadiene-3,16,23,28,30-pentol, 3-O-[?-D-Glucopyranosyl-(1?6)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098684 11,13(18)-Oleanadiene-3,16,23,28,30-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098685 11,13(18)-Oleanadiene-3,16,23,28-tetrol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098686 11,13(18)-Oleanadiene-3,16,23,28-tetrol, 3-O-[?-D-Glucopyranosyl-(1?6)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098687 12-Oleanene-3,16,22,24-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098688 12-Oleanene-3,16,22,28-tetrol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-L-rhamnopyranoside C48H78O19 958.51373 NA MeJP NA NA +MJ098689 12-Oleanene-3,16,28-triol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranoside C48H78O19 958.51373 NA MeJP NA NA +MJ098690 12-Oleanene-3,21,22,24-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098691 12-Oleanene-3,21,22,29-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098692 12-Oleanene-3,22,24,29-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098693 12-Oleanene-3,22,24,30-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098694 12-Oleanene-3,22,24,30-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-glucuronopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098695 12-Oleanene-3,22,24-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098696 12-Oleanene-3,22,24-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098697 13,28-Epoxy-11-oleanene-3,16,21,23-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098698 13,28-Epoxy-11-oleanene-3,16,23,29-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098699 13,28-Epoxy-11-oleanene-3,16,23,30-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098700 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranosyl] ester C48H78O19 958.51373 NA MeJP NA NA +MJ098701 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl] ester C48H78O19 958.51373 NA MeJP NA NA +MJ098702 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-L-Rhamnopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O19 958.51373 NA MeJP NA NA +MJ098703 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O19 958.51373 NA MeJP NA NA +MJ098704 2,3,23-Trihydroxy-12-ursen-28-oic acid, [?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O19 958.51373 NA MeJP NA NA +MJ098705 2,3,23-Trihydroxy-12-ursen-28-oic acid, [?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O19 958.51373 NA MeJP NA NA +MJ098706 2,3,24-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl]ester C48H78O19 958.51373 NA MeJP NA NA +MJ098707 2,3,24-Trihydroxy-12-ursen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O19 958.51373 NA MeJP NA NA +MJ098708 2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098709 2,3-Dihydroxy-12-oleanen-28-oic acid, [?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester C48H78O19 958.51373 NA MeJP NA NA +MJ098710 21,23-Epoxycycloart-24-ene-3,21,22,29-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 21-O-?-D-glucopyranoside C48H78O19 958.51373 NA MeJP NA NA +MJ098711 3,11,23-Trihydroxy-20(29)-lupen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098712 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C48H78O19 958.51373 NA MeJP NA NA +MJ098713 3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C48H78O19 958.51373 NA MeJP NA NA +MJ098714 3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C48H78O19 958.51373 NA MeJP NA NA +MJ098715 3,23,29-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O19 958.51373 NA MeJP NA NA +MJ098716 3,23,29-Trihydroxy-12-oleanen-28-oic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranosyl] ester C48H78O19 958.51373 NA MeJP NA NA +MJ098717 3,25-Dihydroxycucurbit-5-ene-11,24-dione, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], 25-?-D-glucopyranoside C48H78O19 958.51373 NA MeJP NA NA +MJ098718 3,8,12,14,15-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Thevetopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-digitoxopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098719 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098720 Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-galactopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098721 Hederagenin bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside], 28-O-?-D-glucopyranosyl ester C48H78O19 958.51373 NA MeJP NA NA +MJ098722 Hovenolactone; 3-O-[?-D-Glucopyranosyl(1?3)[?-L-rhamnopyranosyl(1?2)]-?-D-glucopyranoside] C48H78O19 958.51373 NA MeJP NA NA +MJ098723 Hovenolactone; 3-O-[?-L-Rhamnopyranosyl(1?2)-?-D-glucopyranoside], 23-O-?-D-glucopyranoside C48H78O19 958.51373 NA MeJP NA NA +MJ098724 Mabiogenin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 15-O-?-D-glucopyranoside C48H78O19 958.51373 NA MeJP NA NA +MJ098725 Mabiogenin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] C48H78O19 958.51373 NA MeJP NA NA +PJ100877 GVQKRWW C46H66N14O9 958.5138 NA PeJP NA NA +PJ100878 PVVKKEEM C42H74N10O13S 958.5158 NA PeJP NA NA +PJ100879 PLLKYYY C50H70N8O11 958.5164 NA PeJP NA NA +PJ100880 PPPLLEFF C50H70N8O11 958.5165 NA PeJP NA NA +PJ100881 SNDRRRR C35H66N20O12 958.517 NA PeJP NA NA +PJ100882 PTLMRRW C43H70N14O9S 958.5171 NA PeJP NA NA +PJ100883 LLRWWW C51H66N12O7 958.5178 NA PeJP NA NA +PJ100884 LKEEERR C39H70N14O14 958.5196 NA PeJP NA NA +PJ100885 GGGVKKEER C39H70N14O14 958.5197 NA PeJP NA NA +PJ100886 PPLLLEMF C47H74N8O11S 958.5198 NA PeJP NA NA +PJ100887 GPVLMMRR C40H74N14O9S2 958.5205 NA PeJP NA NA +PJ100888 GTQRRRW C40H66N18O10 958.521 NA PeJP NA NA +PJ100889 TLLLLEEE C43H74N8O16 958.5223 NA PeJP NA NA +PJ100890 PLLLLEMM C44H78N8O11S2 958.5232 NA PeJP NA NA +PJ100891 SSPTLLRW C44H70N12O12 958.5236 NA PeJP NA NA +PJ100892 VLKEERW C44H70N12O12 958.5237 NA PeJP NA NA +PJ100893 VNQMRRR C37H70N18O10S 958.5243 NA PeJP NA NA +PJ100894 GGVQMRRR C37H70N18O10S 958.5244 NA PeJP NA NA +PJ100895 QKRRWW C45H66N16O8 958.525 NA PeJP NA NA +PJ100896 SPVLKEMR C41H74N12O12S 958.527 NA PeJP NA NA +PJ100897 GGGGGGLLLKM C41H74N12O12S 958.5271 NA PeJP NA NA +PJ100898 VVLKEWW C49H70N10O10 958.5277 NA PeJP NA NA +PJ100899 PPMFRRR C42H70N16O8S 958.5284 NA PeJP NA NA +PJ100900 TLEERRR C38H70N16O13 958.5309 NA PeJP NA NA +PJ100901 VKKKMYY C46H74N10O10S 958.531 NA PeJP NA NA +PJ100902 APTLLKMW C46H74N10O10S 958.5311 NA PeJP NA NA +PJ100903 PLMMRRR C39H74N16O8S2 958.5317 NA PeJP NA NA +PJ100904 PTHHRRR C39H66N20O9 958.5322 NA PeJP NA NA +PJ100905 ASPTTLLKE C42H74N10O15 958.5335 NA PeJP NA NA +PJ100906 ALLKKEEE C42H74N10O15 958.5336 NA PeJP NA NA +PJ100907 PVLLQKMM C43H78N10O10S2 958.5344 NA PeJP NA NA +PJ100908 SLLERRW C43H70N14O11 958.5349 NA PeJP NA NA +PJ100909 GQMRRRR C36H70N20O9S 958.5356 NA PeJP NA NA +MJ098726 Micropeptin B C47H74N8O13 958.537534 NA MeJP NA NA +PJ100910 PVLLLEEF C47H74N8O13 958.5376 NA PeJP NA NA +PJ100911 AALLEMRR C40H74N14O11S 958.5383 NA PeJP NA NA +PJ100912 SVLLRWW C48H70N12O9 958.5389 NA PeJP NA NA +PJ100913 VLLLLEEM C44H78N8O13S 958.541 NA PeJP NA NA +PJ100914 SQKERRR C37H70N18O12 958.5421 NA PeJP NA NA +PJ100915 LLLQMRW C45H74N12O9S 958.5423 NA PeJP NA NA +PJ100916 ATLLKEER C41H74N12O14 958.5448 NA PeJP NA NA +PJ100917 APLLKMMR C42H78N12O9S2 958.5457 NA PeJP NA NA +PJ100918 GKKERRW C42H70N16O10 958.5461 NA PeJP NA NA +PJ100919 GCRRRRR C35H70N22O8S 958.5468 NA PeJP NA NA +PJ100920 GTLLLKEW C46H74N10O12 958.5488 NA PeJP NA NA +PJ100921 VLEMRRR C39H74N16O10S 958.5495 NA PeJP NA NA +MJ098727 Pregn-5-ene-3,11,12,14,20-pentol, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H82O18 958.550115 NA MeJP NA NA +MJ098728 Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H82O18 958.550115 NA MeJP NA NA +MJ098729 Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H82O18 958.550115 NA MeJP NA NA +PJ100922 GVKKRWW C47H70N14O8 958.5502 NA PeJP NA NA +PJ100923 PTLLKKEM C43H78N10O12S 958.5522 NA PeJP NA NA +PJ100924 LLLKFYY C51H74N8O10 958.5528 NA PeJP NA NA +PJ100925 STQRRRR C36H70N20O11 958.5533 NA PeJP NA NA +PJ100926 VVLMRRW C44H74N14O8S 958.5535 NA PeJP NA NA +PJ100927 ATTLLERR C40H74N14O13 958.556 NA PeJP NA NA +PJ100928 PPLLLLMY C48H78N8O10S 958.5562 NA PeJP NA NA +PJ100929 GTKRRRW C41H70N18O9 958.5574 NA PeJP NA NA +PJ100930 GTTLLLRW C45H74N12O11 958.56 NA PeJP NA NA +PJ100931 GALKKKEW C45H74N12O11 958.5601 NA PeJP NA NA +PJ100932 VNKMRRR C38H74N18O9S 958.5607 NA PeJP NA NA +PJ100933 KKRRWW C46H70N16O7 958.5614 NA PeJP NA NA +PJ100934 GLLLKEMR C42H78N12O11S 958.5634 NA PeJP NA NA +PJ100935 TLLLKWW C50H74N10O9 958.5641 NA PeJP NA NA +MJ098730 1,2-Di-O-acylglycerols; Glycerol 2-(5,8,11,14,17-eicosapentaenoate) 1-(6,9,12,15-octadecatetraenoate), 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] C53H82O15 958.565371 NA MeJP NA NA +PJ100936 SSPTKKRR C39H74N16O12 958.5672 NA PeJP NA NA +PJ100937 DKKKERR C39H74N16O12 958.5673 NA PeJP NA NA +PJ100938 GVLLLKMW C47H78N10O9S 958.5674 NA PeJP NA NA +PJ100939 VVHHRRR C40H70N20O8 958.5686 NA PeJP NA NA +PJ100940 SLLLKKEE C43H78N10O14 958.5699 NA PeJP NA NA +PJ100941 PVLLKKMM C44H82N10O9S2 958.5708 NA PeJP NA NA +PJ100942 VDKKKRW C44H74N14O10 958.5713 NA PeJP NA NA +PJ100943 GKMRRRR C37H74N20O8S 958.572 NA PeJP NA NA +PJ100944 PVLLLLEY C48H78N8O12 958.574 NA PeJP NA NA +PJ100945 ASLLLMRR C41H78N14O10S 958.5746 NA PeJP NA NA +PJ100946 GTLLLMRR C41H78N14O10S 958.5747 NA PeJP NA NA +PJ100947 ALKKKWW C49H74N12O8 958.5753 NA PeJP NA NA +PJ100948 SKKERRR C38H74N18O11 958.5785 NA PeJP NA NA +PJ100949 LLLKMRW C46H78N12O8S 958.5787 NA PeJP NA NA +PJ100950 STLLLKER C42H78N12O13 958.5812 NA PeJP NA NA +PJ100951 SVKKRRW C43H74N16O9 958.5825 NA PeJP NA NA +PJ100952 SSLLLLKW C47H78N10O11 958.5852 NA PeJP NA NA +PJ100953 LQKKMRR C40H78N16O9S 958.5859 NA PeJP NA NA +MJ098731 Septamycin; 20-Methyl, 27S-methoxy C50H86O17 958.586501 NA MeJP NA NA +PJ100954 VVLLKKEM C44H82N10O11S 958.5886 NA PeJP NA NA +PJ100955 PPLLLLFF C52H78N8O9 958.5892 NA PeJP NA NA +PJ100956 STKRRRR C37H74N20O10 958.5897 NA PeJP NA NA +PJ100957 STTLLLRR C41H78N14O12 958.5924 NA PeJP NA NA +PJ100958 PLLLLLMF C49H82N8O9S 958.5926 NA PeJP NA NA +PJ100959 LLKHHRR C42H74N18O8 958.5938 NA PeJP NA NA +PJ100960 LLLLLLMM C46H86N8O9S2 958.596 NA PeJP NA NA +PJ100961 LKKKKEW C46H78N12O10 958.5964 NA PeJP NA NA +PJ100962 CLKKRRR C39H78N18O8S 958.5971 NA PeJP NA NA +PJ100963 SVLLLKMR C43H82N12O10S 958.5998 NA PeJP NA NA +PJ100964 GTTLKKRR C40H78N16O11 958.6036 NA PeJP NA NA +PJ100965 GTTTLLLLK C44H82N10O13 958.6063 NA PeJP NA NA +PJ100966 TLKKKRW C45H78N14O9 958.6077 NA PeJP NA NA +PJ100967 VLLLLLEF C49H82N8O11 958.6104 NA PeJP NA NA +PJ100968 GVLKKKMR C42H82N14O9S 958.611 NA PeJP NA NA +PJ100969 SVLKKKKE C43H82N12O12 958.6176 NA PeJP NA NA +PJ100970 VLLFRRR C44H78N16O8 958.6189 NA PeJP NA NA +PJ100971 PVVLLKKY C48H82N10O10 958.6216 NA PeJP NA NA +PJ100972 LKKKMRR C41H82N16O8S 958.6223 NA PeJP NA NA +PJ100973 TLLLLKKM C45H86N10O10S 958.625 NA PeJP NA NA +PJ100974 SSLLKKKR C42H82N14O11 958.6288 NA PeJP NA NA +PJ100975 GLLLLKFR C47H82N12O9 958.6328 NA PeJP NA NA +PJ100976 ALLKKKKM C44H86N12O9S 958.6362 NA PeJP NA NA +PJ100977 GSKKKKKR C41H82N16O10 958.64 NA PeJP NA NA +PJ100978 VLLLLLLY C50H86N8O10 958.6467 NA PeJP NA NA +PJ100979 TTLLKKKK C44H86N12O11 958.6539 NA PeJP NA NA +PJ100980 VVLLLKKF C49H86N10O9 958.658 NA PeJP NA NA +PJ100981 ATKKKKKK C43H86N14O10 958.6652 NA PeJP NA NA +HMDB05420 TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C63H106O6 958.79895 http://www.hmdb.ca/metabolites/HMDB05420 HMDB NA NA +HMDB05420 TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C63H106O6 958.79895 HMDB05420 PFEM_hmdb_metabocards_official NA NA +HMDB05420 TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C63H106O6 958.79895 NA HMDB2010 NA NA +3235 bombolitin III from venom of bumble bee (Megabombu IKIMDILAKLGKVLAHVG 959.08165 MH2+ Inhouse_peptide NA peptide +MetaCyc04345 5-hydroxy-feruloyl-CoA [] C31H44N7O20P3S1 959.157467 NA metacyc NA NA +C12203 5-Hydroxyferuloyl-CoA C31H44N7O20P3S 959.1575 NA KEGG NA NA +PJ100982 GCCCCCCCY C32H49N9O11S7 959.1597 NA PeJP NA NA +PJ100983 GCCCCCCEH C31H49N11O12S6 959.1887 NA PeJP NA NA +PJ100984 GCCCDDDDD C31H45N9O20S3 959.1943 NA PeJP NA NA +PJ100985 CCCCCCHW C35H49N11O9S6 959.2039 NA PeJP NA NA +PJ100986 SSCCCCCDH C31H49N11O14S5 959.2064 NA PeJP NA NA +PJ100987 SPCCCCDDD C32H49N9O17S4 959.213 NA PeJP NA NA +PJ100988 PPCCCCCCE C33H53N9O12S6 959.2138 NA PeJP NA NA +PJ100989 GCCCCNNDE C31H49N11O16S4 959.2242 NA PeJP NA NA +PJ100990 GTCCCCCMH C32H53N11O11S6 959.2251 NA PeJP NA NA +C16339 (+)-7-Isojasmonic acid CoA C33H52N7O18P3S 959.2302 NA KEGG NA NA +PJ100991 GSCCDDDDM C32H49N9O19S3 959.2307 NA PeJP NA NA +PJ100992 GPCCCCDEM C33H53N9O14S5 959.2316 NA PeJP NA NA +PJ100993 CCCCNNDW C35H49N11O13S4 959.2395 NA PeJP NA NA +PJ100994 SSCCCNNDD C31H49N11O18S3 959.242 NA PeJP NA NA +PJ100995 SSSCCCCMH C32H53N11O13S5 959.2428 NA PeJP NA NA +FL7AAAGL0041 Pelargonidin 3-(6''-p-coumarylsambubioside)-5-(6'''-malonylglucoside) C44H47O24 959.24572 175738-01-9 knapsack NA NA +PJ100996 SCCCDDEW C36H49N9O16S3 959.246 NA PeJP NA NA +PJ100997 PCCCCDMW C37H53N9O11S5 959.2469 NA PeJP NA NA +PJ100998 SSSCCDDDE C32H49N9O21S2 959.2485 NA PeJP NA NA +PJ100999 CCNDDEMM C33H53N9O16S4 959.2494 NA PeJP NA NA +PJ101000 PPTCCCCCM C34H57N9O11S6 959.2502 NA PeJP NA NA +PJ101001 CCCCNMHF C36H53N11O10S5 959.2581 NA PeJP NA NA +PJ101002 CCCDDDMR C32H53N11O15S4 959.2606 NA PeJP NA NA +PJ101003 CCNDDDEF C36H49N9O18S2 959.2637 NA PeJP NA NA +PJ101004 GGCCDDDEF C36H49N9O18S2 959.2638 NA PeJP NA NA +PJ101005 GCCDDMMW C37H53N9O13S4 959.2646 NA PeJP NA NA +PJ101006 GSSCDDDMM C33H53N9O18S3 959.2671 NA PeJP NA NA +PJ101007 GSPCCCEMM C34H57N9O13S5 959.268 NA PeJP NA NA +PJ101008 CCCNDEHH C34H49N13O14S3 959.2685 NA PeJP NA NA +PJ101009 GSCCCCNDR C31H53N13O14S4 959.2718 NA PeJP NA NA +PJ101010 NDDDDDDH C34H45N11O22 959.2741 NA PeJP NA NA +PJ101011 CCNNNDDY C35H49N11O17S2 959.275 NA PeJP NA NA +PJ101012 SCCCNNMW C36H53N11O12S4 959.2758 NA PeJP NA NA +PJ101013 GGGGSCCCMW C36H53N11O12S4 959.2759 NA PeJP NA NA +PJ101014 SSSCCNNDM C32H53N11O17S3 959.2783 NA PeJP NA NA +PJ101015 GGGGSSSCCDM C32H53N11O17S3 959.2784 NA PeJP NA NA +PJ101016 GCCDDDFW C40H49N9O15S2 959.279 NA PeJP NA NA +PJ101017 CCNNNMMM C33H57N11O12S5 959.2792 NA PeJP NA NA +PJ101018 CCCEMWW C41H53N9O10S4 959.2799 NA PeJP NA NA +PJ101019 SCNDDDEY C36H49N9O20S 959.2815 NA PeJP NA NA +PJ101020 SSCCDEMW C37H53N9O15S3 959.2824 NA PeJP NA NA +PJ101021 SPCCCMMW C38H57N9O10S5 959.2832 NA PeJP NA NA +PJ101022 GCCCDHHW C38H49N13O11S3 959.2837 NA PeJP NA NA +PJ101023 SSSSCDDEM C33H53N9O20S2 959.2849 NA PeJP NA NA +PJ101024 SCNDEMMM C34H57N9O15S4 959.2857 NA PeJP NA NA +PJ101025 GSSCCDDHH C34H49N13O16S2 959.2862 NA PeJP NA NA +PJ101026 CCDMYYY C42H53N7O13S3 959.2864 NA PeJP NA NA +PJ101027 PCCNMMMM C35H61N9O10S6 959.2866 NA PeJP NA NA +PJ101028 GPTCCCCHH C35H53N13O11S4 959.2871 NA PeJP NA NA +PJ101029 CCCCNQMR C32H57N13O11S5 959.2904 NA PeJP NA NA +PJ101030 GGCCCCQMR C32H57N13O11S5 959.2905 NA PeJP NA NA +PJ101031 GSPCDDDDH C35H49N11O19S 959.2927 NA PeJP NA NA +PJ101032 GSSSCCCQW C36H53N11O14S3 959.2936 NA PeJP NA NA +PJ101033 GSSSSSCCNE C32H53N11O19S2 959.2961 NA PeJP NA NA +PJ101034 GSCDDDYW C40H49N9O17S 959.2968 NA PeJP NA NA +PJ101035 SCCDDMMR C33H57N11O14S4 959.297 NA PeJP NA NA +PJ101036 GPCCCEYW C41H53N9O12S3 959.2976 NA PeJP NA NA +PJ101037 GSSSDDDDY C36H49N9O22 959.2993 NA PeJP NA NA +PJ101038 GNDDDMMY C37H53N9O17S2 959.3001 NA PeJP NA NA +PJ101039 GSCDMMMW C38H57N9O12S4 959.301 NA PeJP NA NA +PJ101040 CCCCCNRR C31H57N15O10S5 959.3017 NA PeJP NA NA +PJ101041 GSSSDDMMM C34H57N9O17S3 959.3035 NA PeJP NA NA +PJ101042 CNNNDDEH C34H49N13O18S 959.304 NA PeJP NA NA +PJ101043 GNDMMMMM C35H61N9O12S5 959.3044 NA PeJP NA NA +PJ101044 SCCNEMHH C35H53N13O13S3 959.3048 NA PeJP NA NA +PJ101045 CCMMFYY C43H57N7O10S4 959.305 NA PeJP NA NA +PJ101046 GSSCCCNMR C32H57N13O13S4 959.3082 NA PeJP NA NA +PJ101047 GCCCNQFW C40H53N11O11S3 959.3089 NA PeJP NA NA +PJ101048 SNDDDEEH C35H49N11O21 959.3105 NA PeJP NA NA +PJ101049 SSSSSCCNW C36H53N11O16S2 959.3113 NA PeJP NA NA +PJ101050 GCCDDERY C36H53N11O16S2 959.3114 NA PeJP NA NA +PJ101051 SCCCCQKW C37H57N11O11S4 959.3122 NA PeJP NA NA +PJ101052 PCCCYWW C45H53N9O9S3 959.3129 NA PeJP NA NA +PJ101053 SSSSSSSCND C32H53N11O21S 959.3138 NA PeJP NA NA +PJ101054 GGSSSSSSSCD C32H53N11O21S 959.3139 NA PeJP NA NA +PJ101055 GNDDDDFY C40H49N9O19 959.3145 NA PeJP NA NA +PJ101056 SSSSCNNMM C33H57N11O16S3 959.3147 NA PeJP NA NA +PJ101057 CNDEMYW C41H53N9O14S2 959.3154 NA PeJP NA NA +PJ101058 GCCEMMMR C34H61N11O11S5 959.3156 NA PeJP NA NA +PJ101059 SCCCDHHR C34H53N15O12S3 959.3161 NA PeJP NA NA +PJ101060 TCCMMWW C42H57N9O9S4 959.3162 NA PeJP NA NA +PJ101061 APCCCMFW C42H57N9O9S4 959.3163 NA PeJP NA NA +PJ101062 SSNDDEMY C37H53N9O19S 959.3179 NA PeJP NA NA +PJ101063 SSSCEMMW C38H57N9O14S3 959.3187 NA PeJP NA NA +PJ101064 GGSPCDMMY C38H57N9O14S3 959.3188 NA PeJP NA NA +PJ101065 GCNNDDHW C38H49N13O15S 959.3192 NA PeJP NA NA +PJ101066 CCDFFYY C46H53N7O12S2 959.3194 NA PeJP NA NA +PJ101067 CQMMMMW C39H61N9O9S5 959.3196 NA PeJP NA NA +PJ101068 GSCCMHHW C39H53N13O10S3 959.3201 NA PeJP NA NA +PJ101069 SSSSSDEMM C34H57N9O19S2 959.3212 NA PeJP NA NA +PJ101070 GSSNNDDDH C34H49N13O20 959.3217 NA PeJP NA NA +PJ101071 SSNEMMMM C35H61N9O14S4 959.3221 NA PeJP NA NA +PJ101072 PCCDDDHR C35H53N13O15S2 959.3226 NA PeJP NA NA +PJ101073 SCMMYYY C43H57N7O12S3 959.3228 NA PeJP NA NA +PJ101074 GCNMMMHH C36H57N13O10S4 959.3235 NA PeJP NA NA +PJ101075 EEEEMMY C39H57N7O17S2 959.3253 NA PeJP NA NA +PJ101076 GSDDDEHW C39H49N11O18 959.3258 NA PeJP NA NA +PJ101077 SSSSCCCQR C32H57N13O15S3 959.326 NA PeJP NA NA +PJ101078 CCDDRYW C40H53N11O13S2 959.3266 NA PeJP NA NA +PJ101079 CCCCNKMR C33H61N13O10S5 959.3268 NA PeJP NA NA +PJ101080 SSCDDDRY C36H53N11O18S 959.3291 NA PeJP NA NA +PJ101081 GSSSCCCKW C37H57N11O13S3 959.33 NA PeJP NA NA +PJ101082 GCDMYWW C45H53N9O11S2 959.3306 NA PeJP NA NA +PJ101083 CCMMMRW C38H61N11O8S5 959.3309 NA PeJP NA NA +PJ101084 GSSSSSSCQM C33H57N11O18S2 959.3325 NA PeJP NA NA +PJ101085 GSSDDMYW C41H53N9O16S 959.3331 NA PeJP NA NA +PJ101086 GGGDDDMFF C41H53N9O16S 959.3332 NA PeJP NA NA +PJ101087 SSCDMMMR C34H61N11O13S4 959.3333 NA PeJP NA NA +PJ101088 TTCCDMMR C34H61N11O13S4 959.3334 NA PeJP NA NA +PJ101089 CNNNNNMH C34H53N15O14S2 959.3338 NA PeJP NA NA +PJ101090 GGGGGGGGCNMH C34H53N15O14S2 959.3339 NA PeJP NA NA +PJ101091 GPTCCMYW C42H57N9O11S3 959.334 NA PeJP NA NA +PJ101092 ACCCMHHR C35H57N15O9S4 959.3347 NA PeJP NA NA +PJ101093 GSSSSDEEY C37H53N9O21 959.3356 NA PeJP NA NA +PJ101094 GSPPDDDEE C37H53N9O21 959.3357 NA PeJP NA NA +PJ101095 GSNEEMMY C38H57N9O16S2 959.3365 NA PeJP NA NA +PJ101096 GCEYYYY C46H53N7O14S 959.3371 NA PeJP NA NA +PJ101097 GSSMMMMW C39H61N9O11S4 959.3374 NA PeJP NA NA +PJ101098 SSTCCHHW C39H53N13O12S2 959.3378 NA PeJP NA NA +PJ101099 GGSPCCNHW C39H53N13O12S2 959.3379 NA PeJP NA NA +PJ101100 CCMFFFY C47H57N7O9S3 959.338 NA PeJP NA NA +PJ101101 DEEEEFY C42H53N7O19 959.3397 NA PeJP NA NA +PJ101102 GSSSTEMMM C35H61N9O16S3 959.3399 NA PeJP NA NA +PJ101103 SSSSSCEHH C35H53N13O17S 959.3403 NA PeJP NA NA +PJ101104 GDDDDMHR C35H53N13O17S 959.3404 NA PeJP NA NA +PJ101105 GTQMMMMM C36H65N9O11S5 959.3407 NA PeJP NA NA +PJ101106 GGATMMMMM C36H65N9O11S5 959.3408 NA PeJP NA NA +PJ101107 SDDDHWW C43H49N11O15 959.341 NA PeJP NA NA +PJ101108 GCCNNMRY C36H57N13O12S3 959.3412 NA PeJP NA NA +PJ101109 PCCEHWW C44H53N11O10S2 959.3419 NA PeJP NA NA +PJ101110 GSSSSSSCCR C32H57N13O17S2 959.3437 NA PeJP NA NA +PJ101111 SSSCNNYW C40H53N11O15S 959.3444 NA PeJP NA NA +PJ101112 GSTCCCCKR C33H61N13O12S4 959.3446 NA PeJP NA NA +PJ101113 CCDMFRW C41H57N11O10S3 959.3452 NA PeJP NA NA +PJ101114 GGGCCCKFW C41H57N11O10S3 959.3453 NA PeJP NA NA +MJ098732 Supprescin B C35H57N7O24 959.345495 NA MeJP NA NA +PJ101115 SSSSSNNDY C36H53N11O20 959.3469 NA PeJP NA NA +PJ101116 GSCDEMRY C37H57N11O15S2 959.3477 NA PeJP NA NA +PJ101117 GGGGGGTTCMY C37H57N11O15S2 959.3478 NA PeJP NA NA +PJ101118 GNDDEHHH C37H49N15O16 959.3482 NA PeJP NA NA +PJ101119 SSCEYWW C45H53N9O13S 959.3484 NA PeJP NA NA +PJ101120 SCCCCKKW C38H61N11O10S4 959.3486 NA PeJP NA NA +PJ101121 GCMMFWW C46H57N9O8S3 959.3493 NA PeJP NA NA +PJ101122 SSSSSSSSNM C33H57N11O20S 959.3502 NA PeJP NA NA +PJ101123 SSSSDEYW C41H53N9O18 959.3509 NA PeJP NA NA +PJ101124 SSSSCCQKM C34H61N11O15S3 959.3511 NA PeJP NA NA +PJ101125 SCNNDDHR C34H53N15O16S 959.3516 NA PeJP NA NA +PJ101126 SNEMMYW C42H57N9O13S2 959.3518 NA PeJP NA NA +PJ101127 GTCMMMMR C35H65N11O10S5 959.352 NA PeJP NA NA +PJ101128 CYYYYW C50H53N7O11S 959.3524 NA PeJP NA NA +PJ101129 SSCCMHHR C35H57N15O11S3 959.3525 NA PeJP NA NA +PJ101130 CCQHHFW C43H53N13O9S2 959.3531 NA PeJP NA NA +PJ101131 SSSSPTCEY C38H57N9O18S 959.3542 NA PeJP NA NA +PJ101132 SSSQEEMY C38H57N9O18S 959.3543 NA PeJP NA NA +PJ101133 SSDYYYY C46H53N7O16 959.3549 NA PeJP NA NA +PJ101134 SSSTMMMW C39H61N9O13S3 959.3551 NA PeJP NA NA +PJ101135 CDDEHRW C39H53N13O14S 959.3556 NA PeJP NA NA +PJ101136 ACMFYYY C47H57N7O11S2 959.3558 NA PeJP NA NA +PJ101137 CKMMMMW C40H65N9O8S5 959.356 NA PeJP NA NA +PJ101138 SSSSTTEMM C35H61N9O18S2 959.3576 NA PeJP NA NA +PJ101139 SSDDDEHR C35H53N13O19 959.3581 NA PeJP NA NA +PJ101140 PEEEMYY C43H57N7O16S 959.3583 NA PeJP NA NA +PJ101141 SSDKMMMM C36H65N9O13S4 959.3585 NA PeJP NA NA +PJ101142 SSCCNQRY C36H57N13O14S2 959.359 NA PeJP NA NA +PJ101143 GDEMHWW C44H53N11O12S 959.3596 NA PeJP NA NA +PJ101144 ACCKMMHH C37H61N13O9S4 959.3599 NA PeJP NA NA +PJ101145 GSSEEEHW C40H53N11O17 959.3621 NA PeJP NA NA +PJ101146 GGGGGPDEEW C40H53N11O17 959.3622 NA PeJP NA NA +PJ101147 SSSSCCCKR C33H61N13O14S3 959.3623 NA PeJP NA NA +PJ101148 SCDMRYW C41H57N11O12S2 959.363 NA PeJP NA NA +PJ101149 NDDHHHW C41H49N15O13 959.3635 NA PeJP NA NA +PJ101150 GCDFFWW C49H53N9O10S 959.3637 NA PeJP NA NA +PJ101151 SSSDDMRY C37H57N11O17S 959.3655 NA PeJP NA NA +PJ101152 GNEEYYW C45H53N9O15 959.3661 NA PeJP NA NA +PJ101153 GGGEEYYW C45H53N9O15 959.3662 NA PeJP NA NA +PJ101154 NDMMMRY C38H61N11O12S3 959.3664 NA PeJP NA NA +PJ101155 SPCNEHHH C38H53N15O13S 959.3668 NA PeJP NA NA +PJ101156 GGSPCEHHH C38H53N15O13S 959.3669 NA PeJP NA NA +PJ101157 GSMMYWW C46H57N9O10S2 959.367 NA PeJP NA NA +PJ101158 MMMHHHH C39H57N15O8S3 959.3677 NA PeJP NA NA +PJ101159 GSSSSSSSSST C33H57N11O22 959.368 NA PeJP NA NA +PJ101160 GSSSSSSCKM C34H61N11O17S2 959.3689 NA PeJP NA NA +PJ101161 SSSSNNNNH C34H53N15O18 959.3693 NA PeJP NA NA +PJ101162 GGGGGGSSSSNH C34H53N15O18 959.3694 NA PeJP NA NA +PJ101163 GSSTEMYW C42H57N9O15S 959.3695 NA PeJP NA NA +PJ101164 SSSMMMMR C35H65N11O12S4 959.3697 NA PeJP NA NA +PJ101165 GCNNEMHR C35H57N15O13S2 959.3702 NA PeJP NA NA +PJ101166 AQMMMYW C43H61N9O10S3 959.3704 NA PeJP NA NA +PJ101167 SCNQHWW C43H53N13O11S 959.3708 NA PeJP NA NA +PJ101168 GGSCQHWW C43H53N13O11S 959.3709 NA PeJP NA NA +PJ101169 CCFFFFF C51H57N7O8S2 959.371 NA PeJP NA NA +PJ101170 GSSSTTEEY C38H57N9O20 959.372 NA PeJP NA NA +PJ101171 GSDKEMMY C39H61N9O15S2 959.3729 NA PeJP NA NA +PJ101172 SSSNNEHW C39H53N13O16 959.3734 NA PeJP NA NA +PJ101173 GTMYYYY C47H57N7O13S 959.3735 NA PeJP NA NA +PJ101174 GPCKMMMY C40H65N9O10S4 959.3738 NA PeJP NA NA +PJ101175 NNQMMHW C40H57N13O11S2 959.3742 NA PeJP NA NA +PJ101176 GGGGGAMMHW C40H57N13O11S2 959.3743 NA PeJP NA NA +PJ101177 DMHWWW C48H53N11O9S 959.3749 NA PeJP NA NA +PJ101178 VEEEEYY C43H57N7O18 959.376 NA PeJP NA NA +PJ101179 SSSSSLMMM C36H65N9O15S3 959.3763 NA PeJP NA NA +PJ101180 GSSSSCNRY C36H57N13O16S 959.3767 NA PeJP NA NA +PJ101181 GGGSPPCDDR C36H57N13O16S 959.3768 NA PeJP NA NA +PJ101182 GTKMMMMM C37H69N9O10S5 959.3771 NA PeJP NA NA +PJ101183 SSEEHWW C44H53N11O14 959.3774 NA PeJP NA NA +PJ101184 CCEMRRY C37H61N13O11S3 959.3776 NA PeJP NA NA +PJ101185 GNNNMHHH C37H53N17O12S 959.3781 NA PeJP NA NA +PJ101186 PTCMHWW C45H57N11O9S2 959.3783 NA PeJP NA NA +PJ101187 NNQQMYY C41H57N11O14S 959.3807 NA PeJP NA NA +PJ101188 TQEEMHW C41H57N11O14S 959.3808 NA PeJP NA NA +PJ101189 NEYYWW C49H53N9O12 959.3814 NA PeJP NA NA +PJ101190 GCCNDHRR C34H57N17O12S2 959.3815 NA PeJP NA NA +PJ101191 ACMMRYW C42H61N11O9S3 959.3816 NA PeJP NA NA +PJ101192 GSPCHHHW C42H53N15O10S 959.3821 NA PeJP NA NA +PJ101193 SSSSSSQQY C37H57N11O19 959.3832 NA PeJP NA NA +PJ101194 GGGGSSSSTTY C37H57N11O19 959.3833 NA PeJP NA NA +PJ101195 GSSEMMRY C38H61N11O14S2 959.3841 NA PeJP NA NA +PJ101196 GGGGGAPPEMM C38H61N11O14S2 959.3842 NA PeJP NA NA +PJ101197 GNNNNNQW C38H53N15O15 959.3846 NA PeJP NA NA +PJ101198 SSTMYWW C46H57N9O12S 959.3848 NA PeJP NA NA +PJ101199 NMMMMFR C39H65N11O9S4 959.385 NA PeJP NA NA +PJ101200 CNNMHRW C39H57N15O10S2 959.3855 NA PeJP NA NA +PJ101201 SSSSSSSTCK C34H61N11O19S 959.3866 NA PeJP NA NA +PJ101202 SSSTTEYW C42H57N9O17 959.3873 NA PeJP NA NA +PJ101203 SSSSCCKKM C35H65N11O14S3 959.3875 NA PeJP NA NA +PJ101204 SSNNDMHR C35H57N15O15S 959.388 NA PeJP NA NA +PJ101205 SDKMMYW C43H61N9O12S2 959.3881 NA PeJP NA NA +PJ101206 SPPPDMMW C43H61N9O12S2 959.3882 NA PeJP NA NA +PJ101207 GSSSNHWW C43H53N13O13 959.3886 NA PeJP NA NA +PJ101208 ACFFFYY C51H57N7O10S 959.3888 NA PeJP NA NA +PJ101209 GGPCCCKHR C36H61N15O10S3 959.3889 NA PeJP NA NA +PJ101210 CCKHHFW C44H57N13O8S2 959.3895 NA PeJP NA NA +PJ101211 SSSKEEMY C39H61N9O17S 959.3906 NA PeJP NA NA +PJ101212 PPTQEEEM C39H61N9O17S 959.3907 NA PeJP NA NA +PJ101213 STTYYYY C47H57N7O15 959.3913 NA PeJP NA NA +PJ101214 QKEMMMY C40H65N9O12S3 959.3915 NA PeJP NA NA +PJ101215 SDEMHRW C40H57N13O13S 959.392 NA PeJP NA NA +PJ101216 GPNDWWW C48H53N11O11 959.3926 NA PeJP NA NA +PJ101217 GGGPDWWW C48H53N11O11 959.3927 NA PeJP NA NA +PJ101218 PCMMHRW C41H61N13O8S3 959.3929 NA PeJP NA NA +PJ101219 SSTTTTTMM C36H65N9O17S2 959.394 NA PeJP NA NA +PJ101220 SSSEEEHR C36H57N13O18 959.3945 NA PeJP NA NA +PJ101221 LEEEMFY C44H61N7O15S 959.3947 NA PeJP NA NA +PJ101222 STTKMMMM C37H69N9O12S4 959.3949 NA PeJP NA NA +PJ101223 SSCCNKRY C37H61N13O13S2 959.3953 NA PeJP NA NA +PJ101224 GGSSCCKRY C37H61N13O13S2 959.3954 NA PeJP NA NA +PJ101225 GSDDHHHR C37H53N17O14 959.3958 NA PeJP NA NA +PJ101226 GGGGGGPNNHH C37H53N17O14 959.3959 NA PeJP NA NA +PJ101227 ATEMHWW C45H57N11O11S 959.396 NA PeJP NA NA +PJ101228 GYYWWW C53H53N9O9 959.3967 NA PeJP NA NA +PJ101229 PDEEERW C41H57N11O16 959.3985 NA PeJP NA NA +PJ101230 SSMMRYW C42H61N11O11S2 959.3994 NA PeJP NA NA +PJ101231 SQEHHHW C42H53N15O12 959.3998 NA PeJP NA NA +PJ101232 TNEHHHW C42H53N15O12 959.3999 NA PeJP NA NA +PJ101233 QMFYWW C50H57N9O9S 959.4 NA PeJP NA NA +PJ101234 SSSTEMRY C38H61N11O16S 959.4019 NA PeJP NA NA +PJ101235 PVDEEWW C46H57N9O14 959.4025 NA PeJP NA NA +PJ101236 TQMMMRY C39H65N11O11S3 959.4027 NA PeJP NA NA +PJ101237 GATMMMRY C39H65N11O11S3 959.4028 NA PeJP NA NA +PJ101238 GSSCQHRW C39H57N15O12S 959.4032 NA PeJP NA NA +PJ101239 GGGGGGPPMHH C39H57N15O12S 959.4033 NA PeJP NA NA +PJ101240 AQMMFFW C47H61N9O9S2 959.4034 NA PeJP NA NA +PJ101241 GNNHFWW C47H53N13O10 959.4039 NA PeJP NA NA +PJ101242 GSSSSNEHR C35H57N15O17 959.4057 NA PeJP NA NA +PJ101243 GGGGGGGQEER C35H57N15O17 959.4058 NA PeJP NA NA +PJ101244 SSSSLMYW C43H61N9O14S 959.4059 NA PeJP NA NA +PJ101245 AAFYYYY C51H57N7O12 959.4065 NA PeJP NA NA +PJ101246 DDMMHRR C36H61N15O12S2 959.4066 NA PeJP NA NA +3792 peptide from soybean b-conglycinin (Glycine max) VNPHDHQN 959.4067 ACE inhibitor Inhouse_peptide NA peptide +PJ101247 AKMMMYW C44H65N9O9S3 959.4068 NA PeJP NA NA +PJ101248 SCNKHWW C44H57N13O10S 959.4072 NA PeJP NA NA +PJ101249 GGSCKHWW C44H57N13O10S 959.4073 NA PeJP NA NA +PJ101250 SSSSSTLEY C39H61N9O19 959.4084 NA PeJP NA NA +PJ101251 GTTKEMMY C40H65N9O14S2 959.4093 NA PeJP NA NA +PJ101252 SSSNDKHW C40H57N13O15 959.4097 NA PeJP NA NA +PJ101253 GSPNDERW C40H57N13O15 959.4098 NA PeJP NA NA +PJ101254 AAKMMMMF C41H69N9O9S4 959.4102 NA PeJP NA NA +PJ101255 AEMMHRW C41H61N13O10S2 959.4106 NA PeJP NA NA +PJ101256 CFRYWW C49H57N11O8S 959.4113 NA PeJP NA NA +PJ101257 GTTEEMHR C37H61N13O15S 959.4131 NA PeJP NA NA +PJ101258 GGGGGGGGPKEM C37H61N13O15S 959.4132 NA PeJP NA NA +PJ101259 TTTEHWW C45H57N11O13 959.4138 NA PeJP NA NA +PJ101260 TCMMRRY C38H65N13O10S3 959.414 NA PeJP NA NA +PJ101261 NEMHHHR C38H57N17O11S 959.4145 NA PeJP NA NA +PJ101262 GLMMHWW C46H61N11O8S2 959.4146 NA PeJP NA NA +PJ101263 GTHHHWW C46H53N15O9 959.4151 NA PeJP NA NA +PJ101264 SNNNNNQR C34H57N17O16 959.4169 NA PeJP NA NA +PJ101265 GNNNDDRR C34H57N17O16 959.417 NA PeJP NA NA +PJ101266 TKEEMHW C42H61N11O13S 959.4171 NA PeJP NA NA +PJ101267 AAAAPNEMW C42H61N11O13S 959.4172 NA PeJP NA NA +PJ101268 DKYYWW C50H57N9O11 959.4178 NA PeJP NA NA +PJ101269 PKMMMHW C43H65N11O8S3 959.418 NA PeJP NA NA +PJ101270 VNMHHHW C43H57N15O9S 959.4185 NA PeJP NA NA +PJ101271 SSSSSSQKY C38H61N11O18 959.4196 NA PeJP NA NA +PJ101272 APTEEEER C38H61N11O18 959.4197 NA PeJP NA NA +PJ101273 GTTTMMRY C39H65N11O13S2 959.4205 NA PeJP NA NA +PJ101274 SSSSNHRW C39H57N15O14 959.421 NA PeJP NA NA +PJ101275 AVQMYYW C47H61N9O11S 959.4211 NA PeJP NA NA +PJ101276 GLQMYYW C47H61N9O11S 959.4212 NA PeJP NA NA +PJ101277 CCQKHRW C40H61N15O9S2 959.4218 NA PeJP NA NA +PJ101278 GACCKHRW C40H61N15O9S2 959.4219 NA PeJP NA NA +PJ101279 QQHHHHH C40H53N19O10 959.4223 NA PeJP NA NA +PJ101280 STTTTTYW C43H61N9O16 959.4236 NA PeJP NA NA +PJ101281 GPTLEEEW C43H61N9O16 959.4237 NA PeJP NA NA +PJ101282 SSSQQMHR C36H61N15O14S 959.4243 NA PeJP NA NA +PJ101283 GPNDDMRR C36H61N15O14S 959.4244 NA PeJP NA NA +PJ101284 TTKMMYW C44H65N9O11S2 959.4245 NA PeJP NA NA +PJ101285 SPNDRWW C44H57N13O12 959.425 NA PeJP NA NA +PJ101286 CDHHHRR C37H57N19O10S 959.4257 NA PeJP NA NA +PJ101287 STTTKEMY C40H65N9O16S 959.427 NA PeJP NA NA +PJ101288 AAPILDDDM C40H65N9O16S 959.4271 NA PeJP NA NA +PJ101289 PLEEFYY C48H61N7O14 959.4277 NA PeJP NA NA +PJ101290 KKEMMMY C41H69N9O11S3 959.4279 NA PeJP NA NA +PJ101291 TTEMHRW C41H61N13O12S 959.4284 NA PeJP NA NA +PJ101292 GPTQWWW C49H57N11O10 959.429 NA PeJP NA NA +PJ101293 GMHHHRW C42H57N17O8S 959.4297 NA PeJP NA NA +PJ101294 STTTEEHR C37H61N13O17 959.4309 NA PeJP NA NA +PJ101295 LLEEMYY C45H65N7O14S 959.4311 NA PeJP NA NA +PJ101296 KEEMMHR C38H65N13O12S2 959.4317 NA PeJP NA NA +PJ101297 GSLEMMHR C38H65N13O12S2 959.4318 NA PeJP NA NA +PJ101298 GSTEHHHR C38H57N17O13 959.4322 NA PeJP NA NA +PJ101299 STLMHWW C46H61N11O10S 959.4324 NA PeJP NA NA +PJ101300 QFFFWW C54H57N9O8 959.433 NA PeJP NA NA +PJ101301 GAFFFWW C54H57N9O8 959.4331 NA PeJP NA NA +PJ101302 SSTTLEHW C42H61N11O15 959.4349 NA PeJP NA NA +PJ101303 SSSCQHRR C35H61N17O13S 959.4356 NA PeJP NA NA +PJ101304 VKEMMHW C43H65N11O10S2 959.4358 NA PeJP NA NA +PJ101305 GNNQRWW C43H57N15O11 959.4362 NA PeJP NA NA +PJ101306 GGGGGGARWW C43H57N15O11 959.4363 NA PeJP NA NA +PJ101307 KMFYWW C51H61N9O8S 959.4364 NA PeJP NA NA +PJ101308 STTTTMRY C39H65N11O15S 959.4383 NA PeJP NA NA +PJ101309 PTLEEWW C47H61N9O13 959.4389 NA PeJP NA NA +PJ101310 TKMMMRY C40H69N11O10S3 959.4391 NA PeJP NA NA +PJ101311 AAAVVMMMH C40H69N11O10S3 959.4392 NA PeJP NA NA +PJ101312 PCNERRW C40H61N15O11S 959.4396 NA PeJP NA NA +PJ101313 PPLMMWW C48H65N9O8S2 959.4398 NA PeJP NA NA +PJ101314 EHFRWW C48H57N13O9 959.4403 NA PeJP NA NA +PJ101315 NQEEERR C36H61N15O16 959.4421 NA PeJP NA NA +PJ101316 GGGGGGGGGGDKK C36H61N15O16 959.4422 NA PeJP NA NA +PJ101317 GPVLEEMW C44H65N9O13S 959.4423 NA PeJP NA NA +PJ101318 TEMMHRR C37H65N15O11S2 959.443 NA PeJP NA NA +PJ101319 GPQMRWW C45H61N13O9S 959.4436 NA PeJP NA NA +PJ101320 VHFWWW C53H57N11O7 959.4443 NA PeJP NA NA +PJ101321 SSSTTTTLY C40H65N9O18 959.4448 NA PeJP NA NA +PJ101322 SSTLKMMY C41H69N9O13S2 959.4457 NA PeJP NA NA +PJ101323 VNQEERW C41H61N13O14 959.4461 NA PeJP NA NA +PJ101324 GGGGAAQKEW C41H61N13O14 959.4462 NA PeJP NA NA +PJ101325 SLMMHRW C42H65N13O9S2 959.447 NA PeJP NA NA +PJ101326 STHHHRW C42H57N17O10 959.4475 NA PeJP NA NA +PJ101327 SSTLEMHR C38H65N13O14S 959.4495 NA PeJP NA NA +PJ101328 SPQKEWW C46H61N11O12 959.4501 NA PeJP NA NA +PJ101329 PTNKEWW C46H61N11O12 959.4502 NA PeJP NA NA +PJ101330 AALMMMHR C39H69N13O9S3 959.4504 NA PeJP NA NA +PJ101331 CNQHFRR C39H61N17O10S 959.4508 NA PeJP NA NA +PJ101332 GGCQHFRR C39H61N17O10S 959.4509 NA PeJP NA NA +PJ101333 VHHHHFF C47H57N15O8 959.4515 NA PeJP NA NA +PJ101334 GSSSSSHRR C35H61N17O15 959.4533 NA PeJP NA NA +PJ101335 NDDERRR C35H61N17O15 959.4534 NA PeJP NA NA +PJ101336 PLEEMRW C43H65N11O12S 959.4535 NA PeJP NA NA +PJ101337 GGGGGAPPLMF C43H65N11O12S 959.4536 NA PeJP NA NA +PJ101338 PPVEFWW C51H61N9O10 959.4542 NA PeJP NA NA +PJ101339 GPCRRWW C44H61N15O8S 959.4549 NA PeJP NA NA +PJ101340 SSSSSSKKY C39H65N11O17 959.456 NA PeJP NA NA +PJ101341 GGGAALKEEE C39H65N11O17 959.4561 NA PeJP NA NA +PJ101342 STCCKKKY C40H69N11O12S2 959.4569 NA PeJP NA NA +PJ101343 SQQQQRW C40H61N15O13 959.4573 NA PeJP NA NA +PJ101344 GQEERRW C40H61N15O13 959.4574 NA PeJP NA NA +PJ101345 GLKMYYW C48H65N9O10S 959.4575 NA PeJP NA NA +PJ101346 PVLEMWW C48H65N9O10S 959.4576 NA PeJP NA NA +PJ101347 CCKKHRW C41H65N15O8S2 959.4582 NA PeJP NA NA +PJ101348 QKHHHHH C41H57N19O9 959.4587 NA PeJP NA NA +MJ098733 Technetium furifosmin C44H84N2O10P2Tc(+) 959.45951 NA MeJP NA NA +PJ101349 TKKEEYY C44H65N9O15 959.46 NA PeJP NA NA +PJ101350 AALLEEEW C44H65N9O15 959.4601 NA PeJP NA NA +PJ101351 GSPQEMRR C37H65N15O13S 959.4607 NA PeJP NA NA +PJ101352 GGGPTEMRR C37H65N15O13S 959.4608 NA PeJP NA NA +PJ101353 SPPVLMMW C45H69N9O10S2 959.4609 NA PeJP NA NA +3408 ACE inhibitor PFFDPQIP 959.4609 ACE inhibitor Inhouse_peptide NA peptide +PJ101354 GVQERWW C45H61N13O11 959.4614 NA PeJP NA NA +PJ101355 VMMMHRR C38H69N15O8S3 959.4616 NA PeJP NA NA +PJ101356 SMHHHRR C38H61N19O9S 959.4621 NA PeJP NA NA +PJ101357 PVVKEEEM C41H69N9O15S 959.4634 NA PeJP NA NA +MJ098734 Cyanoginosin; Cyanoginosin YA C49H65N7O13 959.464035 NA MeJP NA NA +PJ101358 PLLEYYY C49H65N7O13 959.4641 NA PeJP NA NA +PJ101359 PPLLQMMM C42H73N9O10S3 959.4643 NA PeJP NA NA +PJ101360 SCLRRYY C42H65N13O11S 959.4647 NA PeJP NA NA +PJ101361 PNKEMRW C42H65N13O11S 959.4648 NA PeJP NA NA +PJ101362 GPTKWWW C50H61N11O9 959.4654 NA PeJP NA NA +PJ101363 SSSPPTTQR C38H65N13O16 959.4672 NA PeJP NA NA +PJ101364 LEEEERR C38H65N13O16 959.4673 NA PeJP NA NA +PJ101365 ATTLMMHR C39H69N13O11S2 959.4681 NA PeJP NA NA +PJ101366 GGGAAPLMMR C39H69N13O11S2 959.4682 NA PeJP NA NA +PJ101367 GDDRRRW C39H61N17O12 959.4686 NA PeJP NA NA +PJ101368 PVNKMWW C47H65N11O9S 959.4688 NA PeJP NA NA +PJ101369 KFFFWW C55H61N9O7 959.4694 NA PeJP NA NA +PJ101370 VLEEERW C43H65N11O14 959.4713 NA PeJP NA NA +PJ101371 GSPCERRR C36H65N17O12S 959.472 NA PeJP NA NA +PJ101372 APPCKKMW C44H69N11O9S2 959.4722 NA PeJP NA NA +PJ101373 QERRWW C44H61N15O10 959.4726 NA PeJP NA NA +PJ101374 SSSSVLLMH C40H69N11O14S 959.4746 NA PeJP NA NA +PJ101375 SPVLEEMR C40H69N11O14S 959.4747 NA PeJP NA NA +PJ101376 VVLEEWW C48H65N9O12 959.4753 NA PeJP NA NA +PJ101377 PPVVMMMR C41H73N11O9S3 959.4755 NA PeJP NA NA +PJ101378 SPQMRRW C41H65N15O10S 959.476 NA PeJP NA NA +PJ101379 VQRWWW C49H61N13O8 959.4766 NA PeJP NA NA +PJ101380 GGLRWWW C49H61N13O8 959.4767 NA PeJP NA NA +PJ101381 NKEEERR C37H65N15O15 959.4785 NA PeJP NA NA +PJ101382 APTLLEMW C45H69N9O12S 959.4787 NA PeJP NA NA +PJ101383 AAPQMMRR C38H69N15O10S2 959.4794 NA PeJP NA NA +PJ101384 GSPNHHRR C38H61N19O11 959.4798 NA PeJP NA NA +PJ101385 GGGSPHHRR C38H61N19O11 959.4799 NA PeJP NA NA +PJ101386 GPKMRWW C46H65N13O8S 959.48 NA PeJP NA NA +PJ101387 ALLKEEEE C41H69N9O17 959.4812 NA PeJP NA NA +PJ101388 ASPPTLLMM C42H73N9O12S2 959.482 NA PeJP NA NA +PJ101389 PVLLQEMM C42H73N9O12S2 959.4821 NA PeJP NA NA +PJ101390 VNKEERW C42H65N13O13 959.4825 NA PeJP NA NA +PJ101391 GGGGGGGGPLKF C42H65N13O13 959.4826 NA PeJP NA NA +PJ101392 NNNMRRR C35H65N19O11S 959.4832 NA PeJP NA NA +PJ101393 CKKKMHW C43H69N13O8S2 959.4834 NA PeJP NA NA +PJ101394 VQHHHFR C43H61N17O9 959.4839 NA PeJP NA NA +PJ101395 TTTTLMHR C39H69N13O13S 959.4859 NA PeJP NA NA +PJ101396 SPKKEWW C47H65N11O11 959.4865 NA PeJP NA NA +PJ101397 GAALKEWW C47H65N11O11 959.4866 NA PeJP NA NA +PJ101398 SPCRRRW C40H65N17O9S 959.4872 NA PeJP NA NA +PJ101399 ARRWWW C48H61N15O7 959.4879 NA PeJP NA NA +PJ101400 SQEERRR C36H65N17O14 959.4897 NA PeJP NA NA +PJ101401 GGGGGSKERR C36H65N17O14 959.4898 NA PeJP NA NA +PJ101402 AAPKKEMW C44H69N11O11S 959.4899 NA PeJP NA NA +PJ101403 PPVLYWW C52H65N9O9 959.4906 NA PeJP NA NA +PJ101404 ATLLEEER C40H69N11O16 959.4924 NA PeJP NA NA +PJ101405 APLLEMMR C41H73N11O11S2 959.4933 NA PeJP NA NA +PJ101406 SVQERRW C41H65N15O12 959.4937 NA PeJP NA NA +PJ101407 GKEERRW C41H65N15O12 959.4938 NA PeJP NA NA +PJ101408 GPPLLMFW C49H69N9O9S 959.4939 NA PeJP NA NA +PJ101409 AHHHFRR C42H61N19O8 959.4951 NA PeJP NA NA +PJ101410 GTLLLEEW C45H69N9O14 959.4964 NA PeJP NA NA +PJ101411 GGPVLLEEF C45H69N9O14 959.4965 NA PeJP NA NA +2612 synthetic peptide inhibitors of (PEP) VYPFPGPIA 959.497 NA Inhouse_peptide NA peptide +PJ101412 GSPKEMRR C38H69N15O12S 959.4971 NA PeJP NA NA +PJ101413 GGGGGGALKMR C38H69N15O12S 959.4972 NA PeJP NA NA +PJ101414 GPLLLMMW C46H73N9O9S2 959.4973 NA PeJP NA NA +PJ101415 GVKERWW C46H65N13O10 959.4978 NA PeJP NA NA +PJ101416 PTLLKEEM C42H73N9O14S 959.4998 NA PeJP NA NA +PJ101417 LLLEFYY C50H69N7O12 959.5005 NA PeJP NA NA +PJ101418 PPLLKMMM C43H77N9O9S3 959.5007 NA PeJP NA NA +PJ101419 SDDRRRR C35H65N19O13 959.501 NA PeJP NA NA +PJ101420 VLQQMRW C43H69N13O10S 959.5011 NA PeJP NA NA +PJ101421 PDKKMRW C43H69N13O10S 959.5012 NA PeJP NA NA +PJ101422 AALKWWW C51H65N11O8 959.5018 NA PeJP NA NA +PJ101423 SSPKKEER C39H69N13O15 959.5036 NA PeJP NA NA +PJ101424 AAKKEEER C39H69N13O15 959.5037 NA PeJP NA NA +PJ101425 GPLQKMMR C40H73N13O10S2 959.5045 NA PeJP NA NA +PJ101426 GTERRRW C40H65N17O11 959.505 NA PeJP NA NA +PJ101427 PCLKKWW C48H69N11O8S 959.5052 NA PeJP NA NA +PJ101428 LQKKEEW C44H69N11O13 959.5077 NA PeJP NA NA +PJ101429 NQQKMRR C37H69N17O11S 959.5083 NA PeJP NA NA +PJ101430 VNEMRRR C37H69N17O11S 959.5084 NA PeJP NA NA +PJ101431 KERRWW C45H65N15O9 959.509 NA PeJP NA NA +PJ101432 PTTLLEMR C41H73N11O13S 959.511 NA PeJP NA NA +PJ101433 GLLLEEMR C41H73N11O13S 959.5111 NA PeJP NA NA +PJ101434 TLLLEWW C49H69N9O11 959.5117 NA PeJP NA NA +PJ101435 SPKMRRW C42H69N15O9S 959.5124 NA PeJP NA NA +PJ101436 VKRWWW C50H65N13O7 959.513 NA PeJP NA NA +PJ101437 DKKEERR C38H69N15O14 959.5149 NA PeJP NA NA +PJ101438 GVLLLEMW C46H73N9O11S 959.5151 NA PeJP NA NA +PJ101439 AAPKMMRR C39H73N15O9S2 959.5158 NA PeJP NA NA +PJ101440 VQQHHRR C39H65N19O10 959.5162 NA PeJP NA NA +PJ101441 SLLLKEEE C42H73N9O16 959.5176 NA PeJP NA NA +PJ101442 PVLLKEMM C43H77N9O11S2 959.5184 NA PeJP NA NA +PJ101443 VDKKERW C43H69N13O12 959.5189 NA PeJP NA NA +PJ101444 GEMRRRR C36H69N19O10S 959.5196 NA PeJP NA NA +PJ101445 TRRRWW C44H65N17O8 959.5202 NA PeJP NA NA +PJ101446 APTKKEMR C40H73N13O12S 959.5223 NA PeJP NA NA +PJ101447 ALKKEWW C48H69N11O10 959.5229 NA PeJP NA NA +PJ101448 GVMRRRW C41H69N17O8S 959.5236 NA PeJP NA NA +PJ101449 SKEERRR C37H69N17O13 959.5261 NA PeJP NA NA +PJ101450 LLLEMRW C45H73N11O10S 959.5263 NA PeJP NA NA +PJ101451 PVLLFWW C53H69N9O8 959.527 NA PeJP NA NA +PJ101452 AQHHRRR C38H65N21O9 959.5275 NA PeJP NA NA +PJ101453 STLLLEER C41H73N11O15 959.5288 NA PeJP NA NA +PJ101454 SPLLLMMR C42H77N11O10S2 959.5297 NA PeJP NA NA +PJ101455 SVKERRW C42H69N15O11 959.5301 NA PeJP NA NA +PJ101456 GGGATKKRW C42H69N15O11 959.5302 NA PeJP NA NA +PJ101457 VLLLMWW C50H73N9O8S 959.5303 NA PeJP NA NA +PJ101458 SSLLLLEW C46H73N9O13 959.5328 NA PeJP NA NA +PJ101459 LQKEMRR C39H73N15O11S 959.5335 NA PeJP NA NA +PJ101460 ATLKRWW C47H69N13O9 959.5342 NA PeJP NA NA +PJ101461 MRRRRW C40H69N19O7S 959.5349 NA PeJP NA NA +PJ101462 VVLLKEEM C43H77N9O13S 959.5362 NA PeJP NA NA +PJ101463 LLLLYYY C51H73N7O11 959.5368 NA PeJP NA NA +PJ101464 STERRRR C36H69N19O12 959.5374 NA PeJP NA NA +PJ101465 VLQKMRW C44H73N13O9S 959.5375 NA PeJP NA NA +PJ101466 GTLKKEER C40H73N13O14 959.54 NA PeJP NA NA +PJ101467 GGGKKKKEE C40H73N13O14 959.5401 NA PeJP NA NA +PJ101468 GPLKKMMR C41H77N13O9S2 959.5409 NA PeJP NA NA +PJ101469 SSLRRRW C41H69N17O10 959.5414 NA PeJP NA NA +PJ101470 ATTILQKW C45H73N11O12 959.544 NA PeJP NA NA +PJ101471 LKKKEEW C45H73N11O12 959.5441 NA PeJP NA NA +PJ101472 TLQMRRR C38H73N17O10S 959.5447 NA PeJP NA NA +PJ101473 VDKMRRR C38H73N17O10S 959.5448 NA PeJP NA NA +PJ101474 APKFRRW C46H69N15O8 959.5454 NA PeJP NA NA +PJ101475 SVLLLEMR C42H77N11O12S 959.5474 NA PeJP NA NA +PJ101476 GPVLLLYW C50H73N9O10 959.5481 NA PeJP NA NA +PJ101477 ALKMRRW C43H73N15O8S 959.5488 NA PeJP NA NA +PJ101478 GTTLKERR C39H73N15O13 959.5513 NA PeJP NA NA +PJ101479 ATLLLLMW C47H77N9O10S 959.5515 NA PeJP NA NA +PJ101480 GPRRRRY C40H69N19O9 959.5526 NA PeJP NA NA +PJ101481 GTTTLLLLE C43H77N9O15 959.5539 NA PeJP NA NA +PJ101482 ASTTIILLE C43H77N9O15 959.554 NA PeJP NA NA +PJ101483 VLLLLQMM C44H81N9O10S2 959.5548 NA PeJP NA NA +PJ101484 TLKKERW C44H73N13O11 959.5553 NA PeJP NA NA +PJ101485 SVMRRRR C37H73N19O9S 959.556 NA PeJP NA NA +PJ101486 GVLKKEMR C41H77N13O11S 959.5587 NA PeJP NA NA +PJ101487 SLLKKWW C49H73N11O9 959.5593 NA PeJP NA NA +PJ101488 GTTTLRRR C38H73N17O12 959.5625 NA PeJP NA NA +PJ101489 AALLKKMW C46H77N11O9S 959.5627 NA PeJP NA NA +PJ101490 AKHHRRR C39H69N21O8 959.5638 NA PeJP NA NA +PJ101491 SVLKKKEE C42H77N11O14 959.5652 NA PeJP NA NA +PJ101492 ALLLLMMR C43H81N11O9S2 959.5661 NA PeJP NA NA +PJ101493 TTLKRRW C43H73N15O10 959.5665 NA PeJP NA NA +PJ101494 TTTLLLLW C47H77N9O12 959.5692 NA PeJP NA NA +PJ101495 LKKEMRR C40H77N15O10S 959.5699 NA PeJP NA NA +PJ101496 GKKKKWW C48H73N13O8 959.5706 NA PeJP NA NA +PJ101497 TLLLLKEM C44H81N9O12S 959.5726 NA PeJP NA NA +PJ101498 VLKKMRW C45H77N13O8S 959.5739 NA PeJP NA NA +PJ101499 SSLLKKER C41H77N13O13 959.5764 NA PeJP NA NA +PJ101500 PTKFRRR C42H73N17O9 959.5778 NA PeJP NA NA +PJ101501 ATTLLKKW C46H77N11O11 959.5804 NA PeJP NA NA +PJ101502 GAAPLLKKY C46H77N11O11 959.5805 NA PeJP NA NA +PJ101503 TLKMRRR C39H77N17O9S 959.5811 NA PeJP NA NA +PJ101504 TTLLLLMR C43H81N11O11S 959.5838 NA PeJP NA NA +PJ101505 GVLLLLFW C51H77N9O9 959.5845 NA PeJP NA NA +PJ101506 ATTQKKKR C40H77N15O12 959.5876 NA PeJP NA NA +PJ101507 SSTLLKRR C40H77N15O12 959.5877 NA PeJP NA NA +PJ101508 PVLLLKMF C48H81N9O9S 959.5878 NA PeJP NA NA +PJ101509 GLFRRRR C41H73N19O8 959.589 NA PeJP NA NA +PJ101510 SSTTLLLLL C44H81N9O14 959.5903 NA PeJP NA NA +PJ101511 VLLLLKMM C45H85N9O9S2 959.5912 NA PeJP NA NA +PJ101512 DKKKKKW C45H77N13O10 959.5917 NA PeJP NA NA +PJ101513 SVVLKKMR C42H81N13O10S 959.595 NA PeJP NA NA +PJ101514 ATLLKKMR C42H81N13O10S 959.5951 NA PeJP NA NA +PJ101515 LLLLFRW C50H77N11O8 959.5957 NA PeJP NA NA +MJ098735 Sphinxolide A; 8-Demethoxy C53H85NO14 959.597006 NA MeJP NA NA +PJ101516 GSTKKKRR C39H77N17O11 959.5989 NA PeJP NA NA +PJ101517 TTLLKKKE C43H81N11O13 959.6016 NA PeJP NA NA +PJ101518 SKKKKRW C44H77N15O9 959.6029 NA PeJP NA NA +PJ101519 PTLLLLKY C48H81N9O11 959.6056 NA PeJP NA NA +PJ101520 AAKKKKMR C41H81N15O9S 959.6063 NA PeJP NA NA +PJ101521 TTTLLKKR C42H81N13O12 959.6128 NA PeJP NA NA +PJ101522 VVKFRRR C43H77N17O8 959.6141 NA PeJP NA NA +PJ101523 GLLLLLRY C47H81N11O10 959.6168 NA PeJP NA NA +PJ101524 SLLLKKKM C44H85N11O10S 959.6202 NA PeJP NA NA +PJ101525 ATTKKKKR C41H81N15O11 959.624 NA PeJP NA NA +PJ101526 GVLLKKFR C46H81N13O9 959.6281 NA PeJP NA NA +PJ101527 GLKKKKKM C43H85N13O9S 959.6314 NA PeJP NA NA +PJ101528 LLKKFRR C45H81N15O8 959.6393 NA PeJP NA NA +PJ101529 VVLLLLKY C49H85N9O10 959.642 NA PeJP NA NA +PJ101530 STLKKKKK C43H85N13O11 959.6492 NA PeJP NA NA +PJ101531 ALLLKKKF C48H85N11O9 959.6532 NA PeJP NA NA +MJ098736 Primycin; Primycin A2, 18-O-Dearabinosyl C51H97N3O13 959.70214 NA MeJP NA NA +MJ098737 1-O-(2-Aminoethylphospho)-2,3-bis(5,9,19-hexacosatrienoyl)glycerol C57H102NO8P 959.734305 NA MeJP NA NA +MJ098738 3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(4,6-di-O-malonyl-?-D-glucopyranoside) C42H41O26(+) 960.180781 NA MeJP NA NA +PJ101532 GCCCCNDDE C31H48N10O17S4 960.2082 NA PeJP NA NA +PJ101533 CCCCNDDW C35H48N10O14S4 960.2235 NA PeJP NA NA +PJ101534 SSCCCNDDD C31H48N10O19S3 960.226 NA PeJP NA NA +PJ101535 SPCCCCCNE C32H52N10O14S5 960.2268 NA PeJP NA NA +PJ101536 CCCCMMMH C33H56N10O9S7 960.2277 NA PeJP NA NA +PJ101537 TCCCCCYY C37H52N8O12S5 960.2309 NA PeJP NA NA +MJ098739 Agastachin C47H44O22 960.232423 NA MeJP NA NA +PJ101538 CCDDDEMM C33H52N8O17S4 960.2334 NA PeJP NA NA +PJ101539 GCCCCNNNM C31H52N12O13S5 960.2381 NA PeJP NA NA +PJ101540 GSPCCCCCW C36H52N10O11S5 960.2421 NA PeJP NA NA +PJ101541 GSCCCNDEM C32H52N10O16S4 960.2446 NA PeJP NA NA +PJ101542 GPCCCCNMM C33H56N10O11S6 960.2455 NA PeJP NA NA +PJ101543 CCDDDDEF C36H48N8O19S2 960.2478 NA PeJP NA NA +PJ101544 CCCDDEHH C34H48N12O15S3 960.2525 NA PeJP NA NA +PJ101545 GSCCCCDDR C31H52N12O15S4 960.2558 NA PeJP NA NA +PJ101546 GGGGGGSTCCCC C31H52N12O15S4 960.2559 NA PeJP NA NA +PJ101547 APCCCCCCR C32H56N12O10S6 960.2567 NA PeJP NA NA +PJ101548 DDDDDDDH C34H44N10O23 960.2581 NA PeJP NA NA +PJ101549 CCNNDDDY C35H48N10O18S2 960.259 NA PeJP NA NA +PJ101550 SCCCNDMW C36H52N10O13S4 960.2599 NA PeJP NA NA +PJ101551 SSSCCCDQE C32H52N10O18S3 960.2623 NA PeJP NA NA +PJ101552 SSSCCNDDM C32H52N10O18S3 960.2624 NA PeJP NA NA +PJ101553 CCNNDMMM C33H56N10O13S5 960.2632 NA PeJP NA NA +PJ101554 GCCCCFYY C41H52N8O11S4 960.2639 NA PeJP NA NA +PJ101555 SCDDDDEY C36H48N8O21S 960.2655 NA PeJP NA NA +PJ101556 PCCDDDMY C37H52N8O16S3 960.2664 NA PeJP NA NA +PJ101557 SCDDEMMM C34H56N8O16S4 960.2698 NA PeJP NA NA +PJ101558 PCCDMMMM C35H60N8O11S6 960.2706 NA PeJP NA NA +PJ101559 GSSSSCCCNN C31H52N12O17S3 960.2736 NA PeJP NA NA +PJ101560 CCCCNEMR C32H56N12O12S5 960.2745 NA PeJP NA NA +PJ101561 GTCCCCWW C40H52N10O10S4 960.2751 NA PeJP NA NA +PJ101562 GSSSCCCEW C36H52N10O15S3 960.2776 NA PeJP NA NA +PJ101563 GCCCQMMW C37H56N10O10S5 960.2785 NA PeJP NA NA +PJ101564 GSSSSSCCDE C32H52N10O20S2 960.2801 NA PeJP NA NA +PJ101565 GSSCCNEMM C33H56N10O15S4 960.281 NA PeJP NA NA +PJ101566 GSCCCYYY C41H52N8O13S3 960.2816 NA PeJP NA NA +PJ101567 APCCCCCKM C34H60N10O10S6 960.2819 NA PeJP NA NA +PJ101568 CCCNNMHH C34H52N14O11S4 960.2823 NA PeJP NA NA +PJ101569 GDDDDMMY C37H52N8O18S2 960.2841 NA PeJP NA NA +PJ101570 PCCDDMMF C38H56N8O13S4 960.285 NA PeJP NA NA +PJ101571 CCCCCDRR C31H56N14O11S5 960.2857 NA PeJP NA NA +PJ101572 CNNDDDEH C34H48N12O19S 960.288 NA PeJP NA NA +PJ101573 GDDMMMMM C35H60N8O13S5 960.2884 NA PeJP NA NA +PJ101574 CCCNNNQY C35H52N12O14S3 960.2888 NA PeJP NA NA +PJ101575 GGGGCCCNQY C35H52N12O14S3 960.2889 NA PeJP NA NA +PJ101576 GCCCCMRW C36H56N12O9S5 960.2897 NA PeJP NA NA +MJ098740 6-O-?-D-Glucopyranosyl-D-glucose; ?-Pyranose-form, 1,2,2'-Tris-O-(4-hydroxy-3,5-dimethoxycinnamoyl) C45H52O23 960.289937 NA MeJP NA NA +MJ098741 Sucrose; 3',4',6-Tris-O-(4-hydroxy-3,5-dimethoxycinnamoyl) C45H52O23 960.289937 NA MeJP NA NA +PJ101577 GSSCCCDMR C32H56N12O14S4 960.2922 NA PeJP NA NA +PJ101578 SSSCCCWW C40H52N10O12S3 960.2929 NA PeJP NA NA +PJ101579 SDDDDEEH C35H48N10O22 960.2945 NA PeJP NA NA +PJ101580 SSSSSCCDW C36H52N10O17S2 960.2954 NA PeJP NA NA +PJ101581 SSCCNMMW C37H56N10O12S4 960.2962 NA PeJP NA NA +PJ101582 GGGAPCCCMY C37H56N10O12S4 960.2963 NA PeJP NA NA +PJ101583 SSSSSSSCDD C32H52N10O22S 960.2979 NA PeJP NA NA +PJ101584 GDDDDDFY C40H48N8O20 960.2985 NA PeJP NA NA +PJ101585 SSSSCNDMM C33H56N10O17S3 960.2987 NA PeJP NA NA +PJ101586 CDDEMYW C41H52N8O15S2 960.2994 NA PeJP NA NA +PJ101587 SCNNMMMM C34H60N10O12S5 960.2996 NA PeJP NA NA +PJ101588 GSSCCCQHH C34H52N14O13S3 960.3001 NA PeJP NA NA +PJ101589 SSDDDEMY C37H52N8O20S 960.3019 NA PeJP NA NA +PJ101590 SPCDDMMY C38H56N8O15S3 960.3028 NA PeJP NA NA +PJ101591 GCNDDDHW C38H48N12O16S 960.3032 NA PeJP NA NA +PJ101592 GGGCDDDHW C38H48N12O16S 960.3033 NA PeJP NA NA +PJ101593 CEMMMMW C39H60N8O10S5 960.3036 NA PeJP NA NA +PJ101594 PCCCDHHF C39H52N12O11S3 960.3041 NA PeJP NA NA +PJ101595 GSSNDDDDH C34H48N12O21 960.3057 NA PeJP NA NA +PJ101596 SSDEMMMM C35H60N8O15S4 960.3061 NA PeJP NA NA +PJ101597 GSSCCNNNY C35H52N12O16S2 960.3066 NA PeJP NA NA +PJ101598 SPCMMMMM C36H64N8O10S6 960.307 NA PeJP NA NA +PJ101599 STCCCCRW C36H56N12O11S4 960.3075 NA PeJP NA NA +PJ101600 CCCNFWW C44H52N10O9S3 960.3081 NA PeJP NA NA +PJ101601 SSSSCCCER C32H56N12O16S3 960.31 NA PeJP NA NA +PJ101602 GSCCNEYW C40H52N10O14S2 960.3106 NA PeJP NA NA +PJ101603 SCCCQMMR C33H60N12O11S5 960.3108 NA PeJP NA NA +PJ101604 GGTCCCMMR C33H60N12O11S5 960.3109 NA PeJP NA NA +PJ101605 ACCCMHFF C41H56N10O9S4 960.3115 NA PeJP NA NA +PJ101606 GSSSCNDEY C36H52N10O19S 960.3131 NA PeJP NA NA +PJ101607 GGGPPCDDDE C36H52N10O19S 960.3132 NA PeJP NA NA +PJ101608 GSSSTCCMW C37H56N10O14S3 960.314 NA PeJP NA NA +PJ101609 GCCCKMMW C38H60N10O9S5 960.3149 NA PeJP NA NA +MJ098742 Perdeacylemarginatine; 1-O-Benzoyl, 6,8,9,14-tetra-Ac C48H52N2O19 960.316427 NA MeJP NA NA +MJ098743 Perdeacylemarginatine; 8-Epimer, 9-benzoyl, 1,6,8,14-tetra-Ac C48H52N2O19 960.316427 NA MeJP NA NA +PJ101610 GSSSSSSCEM C33H56N10O19S2 960.3165 NA PeJP NA NA +PJ101611 GPCDDEYY C41H52N8O17S 960.3172 NA PeJP NA NA +PJ101612 GSSSCQMMM C34H60N10O14S4 960.3174 NA PeJP NA NA +PJ101613 SSSSCCNHH C34H52N14O15S2 960.3178 NA PeJP NA NA +PJ101614 GGGGCNNDMH C34H52N14O15S2 960.3179 NA PeJP NA NA +PJ101615 CDEMMFW C42H56N8O12S3 960.318 NA PeJP NA NA +PJ101616 CCCCQKHH C35H56N14O10S4 960.3187 NA PeJP NA NA +PJ101617 GSDEEMMY C38H56N8O17S2 960.3205 NA PeJP NA NA +PJ101618 GPCEMMMY C39H60N8O12S4 960.3214 NA PeJP NA NA +PJ101619 SPCCNDHW C39H52N12O13S2 960.3219 NA PeJP NA NA +PJ101620 SCCCCMRR C32H60N14O10S5 960.3221 NA PeJP NA NA +PJ101621 SNNDDEMH C35H52N12O18S 960.3244 NA PeJP NA NA +PJ101622 GTEMMMMM C36H64N8O12S5 960.3248 NA PeJP NA NA +PJ101623 GCCNDMRY C36H56N12O13S3 960.3252 NA PeJP NA NA +PJ101624 GGGGPCDMMH C36H56N12O13S3 960.3253 NA PeJP NA NA +PJ101625 SCCNYWW C44H52N10O11S2 960.3259 NA PeJP NA NA +PJ101626 GCCMHHHH C37H52N16O9S3 960.3266 NA PeJP NA NA +PJ101627 SSSCNDYW C40H52N10O16S 960.3284 NA PeJP NA NA +PJ101628 GSSSCCMMR C33H60N12O13S4 960.3286 NA PeJP NA NA +PJ101629 CNNMMYW C41H56N10O11S3 960.3292 NA PeJP NA NA +PJ101630 GGCNMMYW C41H56N10O11S3 960.3293 NA PeJP NA NA +PJ101631 SSSSSNDDY C36H52N10O21 960.3309 NA PeJP NA NA +PJ101632 SSSSSSCMW C37H56N10O16S2 960.3317 NA PeJP NA NA +PJ101633 GGSSNDMMY C37H56N10O16S2 960.3318 NA PeJP NA NA +PJ101634 GDDDEHHH C37H48N14O17 960.3322 NA PeJP NA NA +PJ101635 PCDDYYW C45H52N8O14S 960.3324 NA PeJP NA NA +PJ101636 STCCCKMW C38H60N10O11S4 960.3326 NA PeJP NA NA +PJ101637 GCCNNQHW C38H52N14O12S2 960.3331 NA PeJP NA NA +PJ101638 SSSSSSSSDM C33H56N10O21S 960.3342 NA PeJP NA NA +PJ101639 NDEEEYY C41H52N8O19 960.3349 NA PeJP NA NA +PJ101640 SSSSSNMMM C34H60N10O16S3 960.3351 NA PeJP NA NA +PJ101641 SCNDDDHR C34H52N14O17S 960.3356 NA PeJP NA NA +PJ101642 SDEMMYW C42H56N8O14S2 960.3358 NA PeJP NA NA +PJ101643 SCCQKMMM C35H64N10O11S5 960.336 NA PeJP NA NA +PJ101644 PCCCNEHR C35H56N14O12S3 960.3365 NA PeJP NA NA +PJ101645 PCMMMYW C43H60N8O9S4 960.3366 NA PeJP NA NA +PJ101646 CCEHHFW C43H52N12O10S2 960.3371 NA PeJP NA NA +PJ101647 SSSEEEMY C38H56N8O19S 960.3383 NA PeJP NA NA +PJ101648 QEEMMMY C39H60N8O14S3 960.3391 NA PeJP NA NA +PJ101649 GAEEMMMY C39H60N8O14S3 960.3392 NA PeJP NA NA +PJ101650 GSNDDMHW C39H52N12O15S 960.3396 NA PeJP NA NA +PJ101651 TMMMMMW C40H64N8O9S5 960.34 NA PeJP NA NA +PJ101652 CCCQRYW C40H56N12O10S3 960.3405 NA PeJP NA NA +PJ101653 PNDDDDDR C35H52N12O20 960.3421 NA PeJP NA NA +PJ101654 GGGGGGGSPDDE C35H52N12O20 960.3422 NA PeJP NA NA +PJ101655 STTEMMMM C36H64N8O14S4 960.3425 NA PeJP NA NA +PJ101656 SSCCNERY C36H56N12O15S2 960.343 NA PeJP NA NA +PJ101657 GVMMMMMM C37H68N8O9S6 960.3434 NA PeJP NA NA +PJ101658 CNNDFYW C44H52N10O13S 960.3436 NA PeJP NA NA +PJ101659 GGGGCDFYW C44H52N10O13S 960.3437 NA PeJP NA NA +PJ101660 GCCNMMFR C37H60N12O10S4 960.3439 NA PeJP NA NA +PJ101661 STCCHHHH C37H52N16O11S2 960.3443 NA PeJP NA NA +PJ101662 GGGGPCCHHH C37H52N16O11S2 960.3444 NA PeJP NA NA +PJ101663 GPDDDQEW C40H52N10O18 960.3461 NA PeJP NA NA +PJ101664 GPNDDEEW C40H52N10O18 960.3462 NA PeJP NA NA +PJ101665 SSSSTCCMR C33H60N12O15S3 960.3464 NA PeJP NA NA +PJ101666 GSSCQMYW C41H56N10O13S2 960.347 NA PeJP NA NA +PJ101667 SCCCKMMR C34H64N12O10S5 960.3472 NA PeJP NA NA +PJ101668 DDDHHHW C41H48N14O14 960.3475 NA PeJP NA NA +PJ101669 GSSSSNEMY C37H56N10O18S 960.3495 NA PeJP NA NA +PJ101670 GDEEYYW C45H52N8O16 960.3502 NA PeJP NA NA +PJ101671 DDMMMRY C38H60N10O13S3 960.3504 NA PeJP NA NA +PJ101672 SSCNNNHW C38H52N14O14S 960.3508 NA PeJP NA NA +PJ101673 GGSSCNNHW C38H52N14O14S 960.3509 NA PeJP NA NA +PJ101674 PCDMFYW C46H56N8O11S2 960.351 NA PeJP NA NA +PJ101675 GPCCCHRW C39H56N14O9S3 960.3517 NA PeJP NA NA +PJ101676 GSSSSSSTMM C34H60N10O18S2 960.3529 NA PeJP NA NA +PJ101677 SSSSNNNDH C34H52N14O19 960.3533 NA PeJP NA NA +PJ101678 GGSSSSNNDH C34H52N14O19 960.3534 NA PeJP NA NA +PJ101679 GSPDEMYY C42H56N8O16S 960.3535 NA PeJP NA NA +PJ101680 GSSSCKMMM C35H64N10O13S4 960.3537 NA PeJP NA NA +PJ101681 GSTTCCKMM C35H64N10O13S4 960.3538 NA PeJP NA NA +PJ101682 GCNDEMHR C35H56N14O14S2 960.3542 NA PeJP NA NA +PJ101683 GGGGGGGGSMMH C35H56N14O14S2 960.3543 NA PeJP NA NA +PJ101684 AEMMMYW C43H60N8O11S3 960.3544 NA PeJP NA NA +PJ101685 MMMMMMR C36H68N10O8S6 960.3546 NA PeJP NA NA +PJ101686 SCNEHWW C43H52N12O12S 960.3549 NA PeJP NA NA +PJ101687 ACCCCFRR C36H60N14O9S4 960.3551 NA PeJP NA NA +PJ101688 APEEEEEE C38H56N8O21 960.356 NA PeJP NA NA +PJ101689 PVDDEEEE C38H56N8O21 960.3561 NA PeJP NA NA +PJ101690 GTTEEMMY C39H60N8O16S2 960.3569 NA PeJP NA NA +PJ101691 SSSNDEHW C39H52N12O17 960.3574 NA PeJP NA NA +PJ101692 GPTMMMMY C40H64N8O11S4 960.3578 NA PeJP NA NA +PJ101693 GSSCCRYW C40H56N12O12S2 960.3582 NA PeJP NA NA +PJ101694 GGNEMMHW C40H56N12O12S2 960.3583 NA PeJP NA NA +PJ101695 GSSSSCDRY C36H56N12O17S 960.3607 NA PeJP NA NA +PJ101696 GSPPCDDDR C36H56N12O17S 960.3608 NA PeJP NA NA +PJ101697 SSLMMMMM C37H68N8O11S5 960.3611 NA PeJP NA NA +PJ101698 PNDDEWW C44H52N10O15 960.3614 NA PeJP NA NA +PJ101699 GSCNMMRY C37H60N12O12S3 960.3616 NA PeJP NA NA +PJ101700 GNNDMHHH C37H52N16O13S 960.3621 NA PeJP NA NA +PJ101701 CNNMFFW C45H56N10O10S2 960.3623 NA PeJP NA NA +PJ101702 GSNNNNNNN C33H52N16O18 960.3646 NA PeJP NA NA +PJ101703 SSSSNMYW C41H56N10O15S 960.3648 NA PeJP NA NA +PJ101704 DEYYWW C49H52N8O13 960.3654 NA PeJP NA NA +PJ101705 GCCDDHRR C34H56N16O13S2 960.3655 NA PeJP NA NA +PJ101706 CCQKMYW C42H60N10O10S3 960.3656 NA PeJP NA NA +PJ101707 GGPCCCKFF C42H60N10O10S3 960.3657 NA PeJP NA NA +PJ101708 SSSSSSQEY C37H56N10O20 960.3672 NA PeJP NA NA +PJ101709 SSSSSTNEY C37H56N10O20 960.3673 NA PeJP NA NA +PJ101710 SSSQQMMY C38H60N10O15S2 960.3681 NA PeJP NA NA +PJ101711 GVEEEMMH C38H60N10O15S2 960.3682 NA PeJP NA NA +PJ101712 GNNNNNEW C38H52N14O16 960.3686 NA PeJP NA NA +PJ101713 GGGGGGGGGGGEW C38H52N14O16 960.3687 NA PeJP NA NA +PJ101714 SPDMYYW C46H56N8O13S 960.3688 NA PeJP NA NA +PJ101715 DMMMMFR C39H64N10O10S4 960.369 NA PeJP NA NA +PJ101716 CNDMHRW C39H56N14O11S2 960.3695 NA PeJP NA NA +PJ101717 PCMMFFW C47H60N8O8S3 960.3697 NA PeJP NA NA +PJ101718 GSCHWWW C47H52N12O9S 960.3701 NA PeJP NA NA +PJ101719 SSSSSSSTTM C34H60N10O20S 960.3706 NA PeJP NA NA +PJ101720 TQEEEYY C42H56N8O18 960.3713 NA PeJP NA NA +PJ101721 SSSSTCKMM C35H64N10O15S3 960.3715 NA PeJP NA NA +PJ101722 SSNDDMHR C35H56N14O16S 960.372 NA PeJP NA NA +PJ101723 TTEMMYW C43H60N8O13S2 960.3722 NA PeJP NA NA +PJ101724 SCCKKMMM C36H68N10O10S5 960.3724 NA PeJP NA NA +PJ101725 GSSSDHWW C43H52N12O14 960.3726 NA PeJP NA NA +PJ101726 GGGGDEHFW C43H52N12O14 960.3727 NA PeJP NA NA +PJ101727 GTCCCRRY C36H60N14O11S3 960.3729 NA PeJP NA NA +PJ101728 CLMMMFW C44H64N8O8S4 960.373 NA PeJP NA NA +PJ101729 GNMMHWW C44H56N12O9S2 960.3735 NA PeJP NA NA +PJ101730 STTTEEMY C39H60N8O18S 960.3747 NA PeJP NA NA +PJ101731 KEEMMMY C40H64N8O13S3 960.3755 NA PeJP NA NA +PJ101732 GSSQEMHW C40H56N12O14S 960.376 NA PeJP NA NA +PJ101733 GPDDWWW C48H52N10O12 960.3767 NA PeJP NA NA +PJ101734 CCCKRYW C41H60N12O9S3 960.3769 NA PeJP NA NA +PJ101735 CNQHHHW C41H52N16O10S 960.3773 NA PeJP NA NA +PJ101736 GGCQHHHW C41H52N16O10S 960.3774 NA PeJP NA NA +MJ098744 Urdamycin C C51H60O18 960.377965 NA MeJP NA NA +PJ101737 SPNDDEER C36H56N12O19 960.3785 NA PeJP NA NA +PJ101738 SSSCQMRY C37H60N12O14S2 960.3794 NA PeJP NA NA +PJ101739 SSNNEHHH C37H52N16O15 960.3798 NA PeJP NA NA +PJ101740 GGSSNEHHH C37H52N16O15 960.3799 NA PeJP NA NA +PJ101741 GSPPCEWW C45H56N10O12S 960.38 NA PeJP NA NA +PJ101742 ACCCKMFR C38H64N12O9S4 960.3803 NA PeJP NA NA +PJ101743 GSSSSSTYW C41H56N10O17 960.3825 NA PeJP NA NA +PJ101744 GGGGPPDEEF C41H56N10O17 960.3826 NA PeJP NA NA +PJ101745 GSSSCNNHR C34H56N16O15S 960.3832 NA PeJP NA NA +PJ101746 GSSCKMYW C42H60N10O12S2 960.3834 NA PeJP NA NA +MJ098745 Jasnudifloside B; 10-Deacyl C44H64O23 960.383838 NA MeJP NA NA +MJ098746 Jasnudifloside B; 5-Deacyl C44H64O23 960.383838 NA MeJP NA NA +MJ098747 Jasnudifloside B; 7-Deacyl C44H64O23 960.383838 NA MeJP NA NA +MJ098748 Jasuroside B; 9-Deacyl C44H64O23 960.383838 NA MeJP NA NA +MJ098749 Jasuroside G C44H64O23 960.383838 NA MeJP NA NA +MJ098750 Nudifloside A C44H64O23 960.383838 NA MeJP NA NA +PJ101747 NNNNNWW C42H52N14O13 960.3839 NA PeJP NA NA +PJ101748 EMFYWW C50H56N8O10S 960.384 NA PeJP NA NA +PJ101749 PCDFFFW C50H56N8O10S 960.3841 NA PeJP NA NA +PJ101750 ACCHRWW C43H56N14O8S2 960.3847 NA PeJP NA NA +PJ101751 GSSSSDKMY C38H60N10O17S 960.3859 NA PeJP NA NA +PJ101752 ATEEYYW C46H56N8O15 960.3865 NA PeJP NA NA +PJ101753 GGPEEFYY C46H56N8O15 960.3866 NA PeJP NA NA +PJ101754 TEMMMRY C39H64N10O12S3 960.3868 NA PeJP NA NA +PJ101755 GSSCEHRW C39H56N14O13S 960.3872 NA PeJP NA NA +PJ101756 GGGGGPCDRW C39H56N14O13S 960.3873 NA PeJP NA NA +PJ101757 APMMYYW C47H60N8O10S2 960.3874 NA PeJP NA NA +PJ101758 GNDHFWW C47H52N12O11 960.3879 NA PeJP NA NA +PJ101759 CMMHHFR C40H60N14O8S3 960.3881 NA PeJP NA NA +PJ101760 GPCHHHHH C40H52N18O9S 960.3886 NA PeJP NA NA +PJ101761 GSSSSDEHR C35H56N14O18 960.3897 NA PeJP NA NA +PJ101762 GGGNNEEER C35H56N14O18 960.3898 NA PeJP NA NA +PJ101763 VQEEMYY C43H60N8O15S 960.3899 NA PeJP NA NA +PJ101764 SSSCCRRY C36H60N14O13S2 960.3906 NA PeJP NA NA +PJ101765 SLMMMYW C44H64N8O10S3 960.3908 NA PeJP NA NA +PJ101766 SSQMHWW C44H56N12O11S 960.3912 NA PeJP NA NA +PJ101767 GGSTMHWW C44H56N12O11S 960.3913 NA PeJP NA NA +PJ101768 SPLEEEEE C39H60N8O20 960.3924 NA PeJP NA NA +PJ101769 SSTLEMMY C40H64N8O15S2 960.3933 NA PeJP NA NA +PJ101770 SSSSSSPHW C40H56N12O16 960.3937 NA PeJP NA NA +PJ101771 GSPDDERW C40H56N12O16 960.3938 NA PeJP NA NA +PJ101772 AALMMMMY C41H68N8O10S4 960.3942 NA PeJP NA NA +PJ101773 GPPCDMRW C41H60N12O11S2 960.3946 NA PeJP NA NA +PJ101774 GGGGPPCCKW C41H60N12O11S2 960.3947 NA PeJP NA NA +PJ101775 GSSNHHHW C41H52N16O12 960.3951 NA PeJP NA NA +PJ101776 SPPCWWW C49H56N10O9S 960.3953 NA PeJP NA NA +PJ101777 GSSSSSMRY C37H60N12O16S 960.3971 NA PeJP NA NA +PJ101778 GGPVDDDMR C37H60N12O16S 960.3972 NA PeJP NA NA +PJ101779 SPQEEWW C45H56N10O14 960.3978 NA PeJP NA NA +PJ101780 GTCCKMRY C38H64N12O11S3 960.398 NA PeJP NA NA +PJ101781 GCNNNHFR C38H56N16O12S 960.3985 NA PeJP NA NA +PJ101782 PPNMMWW C46H60N10O9S2 960.3987 NA PeJP NA NA +PJ101783 GNNDDDRR C34H56N16O17 960.401 NA PeJP NA NA +PJ101784 SSSTCKYW C42H60N10O14S 960.4011 NA PeJP NA NA +PJ101785 AAPQEEMW C42H60N10O14S 960.4012 NA PeJP NA NA +PJ101786 GPEFYYW C50H56N8O12 960.4018 NA PeJP NA NA +PJ101787 GSCDMHRR C35H60N16O12S2 960.4019 NA PeJP NA NA +PJ101788 CCKKMYW C43H64N10O9S3 960.402 NA PeJP NA NA +PJ101789 SSCHRWW C43H56N14O10S 960.4025 NA PeJP NA NA +PJ101790 SSSSSSKEY C38H60N10O19 960.4036 NA PeJP NA NA +PJ101791 SPNKEEEE C38H60N10O19 960.4037 NA PeJP NA NA +PJ101792 SSSQKMMY C39H64N10O14S2 960.4045 NA PeJP NA NA +PJ101793 SSSSDHRW C39H56N14O15 960.405 NA PeJP NA NA +PJ101794 GLEMYYW C47H60N8O12S 960.4052 NA PeJP NA NA +PJ101795 VMMMMRY C40H68N10O9S4 960.4054 NA PeJP NA NA +PJ101796 SNMMHRW C40H60N14O10S2 960.4059 NA PeJP NA NA +PJ101797 QEHHHHH C40H52N18O11 960.4063 NA PeJP NA NA +PJ101798 GAEHHHHH C40H52N18O11 960.4064 NA PeJP NA NA +PJ101799 GMHHFFW C48H56N12O8S 960.4065 NA PeJP NA NA +PJ101800 TKEEEYY C43H60N8O17 960.4077 NA PeJP NA NA +PJ101801 GPDDDMRR C36H60N14O15S 960.4084 NA PeJP NA NA +PJ101802 PKEMMYY C44H64N8O12S2 960.4085 NA PeJP NA NA +PJ101803 GALEMMFY C44H64N8O12S2 960.4086 NA PeJP NA NA +PJ101804 SPDDRWW C44H56N12O13 960.409 NA PeJP NA NA +PJ101805 QQMMMHR C37H64N14O10S3 960.4092 NA PeJP NA NA +PJ101806 GGAAMMMHR C37H64N14O10S3 960.4093 NA PeJP NA NA +PJ101807 GSCQHHHR C37H56N18O11S 960.4097 NA PeJP NA NA +PJ101808 ACKMHWW C45H60N12O8S2 960.4099 NA PeJP NA NA +PJ101809 PVVEEEEM C40H64N8O17S 960.4111 NA PeJP NA NA +MJ098751 RA-V; 5''-O-(6-O-Acetyl-?-D-glucopyranoside) C48H60N6O15 960.411665 NA MeJP NA NA +PJ101810 ATTLMMMY C41H68N8O12S3 960.4119 NA PeJP NA NA +PJ101811 PNEEMRW C41H60N12O13S 960.4124 NA PeJP NA NA +PJ101812 GPTEWWW C49H56N10O11 960.413 NA PeJP NA NA +PJ101813 GGPPDFWW C49H56N10O11 960.4131 NA PeJP NA NA +PJ101814 KMMMHHF C42H64N12O8S3 960.4133 NA PeJP NA NA +PJ101815 CNKHHHW C42H56N16O9S 960.4137 NA PeJP NA NA +PJ101816 SSSSSSTRY C37H60N12O18 960.4149 NA PeJP NA NA +PJ101817 SSSCKMRY C38H64N12O13S2 960.4158 NA PeJP NA NA +PJ101818 GSNNNNRW C38H56N16O14 960.4162 NA PeJP NA NA +PJ101819 GGGGGGGSNRW C38H56N16O14 960.4163 NA PeJP NA NA +PJ101820 PVNEMWW C46H60N10O11S 960.4164 NA PeJP NA NA +PJ101821 PFYYWW C54H56N8O9 960.4171 NA PeJP NA NA +PJ101822 GSPKEEEW C42H60N10O16 960.4189 NA PeJP NA NA +PJ101823 SSSCEHRR C35H60N16O14S 960.4196 NA PeJP NA NA +PJ101824 GPPDKMMW C43H64N10O11S2 960.4198 NA PeJP NA NA +PJ101825 ANNDRWW C43H56N14O12 960.4202 NA PeJP NA NA +PJ101826 GNNERWW C43H56N14O12 960.4203 NA PeJP NA NA +PJ101827 LMYYWW C51H60N8O9S 960.4204 NA PeJP NA NA +PJ101828 CQMMHRR C36H64N16O9S3 960.4205 NA PeJP NA NA +PJ101829 AHHHHHW C44H52N18O8 960.4216 NA PeJP NA NA +PJ101830 GSSSTTKMY C39H64N10O16S 960.4223 NA PeJP NA NA +PJ101831 STLEYYW C47H60N8O14 960.4229 NA PeJP NA NA +PJ101832 GTCKKMMY C40H68N10O11S3 960.4232 NA PeJP NA NA +PJ101833 PCDERRW C40H60N14O12S 960.4236 NA PeJP NA NA +PJ101834 GGGGGGPPCFR C40H60N14O12S 960.4237 NA PeJP NA NA +PJ101835 ALMMFYW C48H64N8O9S2 960.4238 NA PeJP NA NA +PJ101836 QQQWWW C48H56N12O10 960.4243 NA PeJP NA NA +PJ101837 NEEEERR C36H60N14O17 960.4261 NA PeJP NA NA +PJ101838 GGGGGDKEER C36H60N14O17 960.4262 NA PeJP NA NA +PJ101839 VKEEMYY C44H64N8O14S 960.4263 NA PeJP NA NA +PJ101840 SPPCDMRR C37H64N14O12S2 960.427 NA PeJP NA NA +PJ101841 AALMMMFF C45H68N8O9S3 960.4272 NA PeJP NA NA +PJ101842 SSSNHHHR C37H56N18O13 960.4275 NA PeJP NA NA +PJ101843 APDMRWW C45H60N12O10S 960.4276 NA PeJP NA NA +PJ101844 GPEMRWW C45H60N12O10S 960.4277 NA PeJP NA NA +PJ101845 PTWWWW C53H56N10O8 960.4283 NA PeJP NA NA +PJ101846 ALLEEEEE C40H64N8O19 960.4288 NA PeJP NA NA +PJ101847 TTTTLMMY C41H68N8O14S2 960.4297 NA PeJP NA NA +PJ101848 SSSTKEHW C41H60N12O15 960.4301 NA PeJP NA NA +PJ101849 VNEEERW C41H60N12O15 960.4302 NA PeJP NA NA +PJ101850 GCNNNQRR C34H60N18O13S 960.4308 NA PeJP NA NA +PJ101851 GGGGGCNQRR C34H60N18O13S 960.4309 NA PeJP NA NA +PJ101852 GSPPMMRW C42H64N12O10S2 960.431 NA PeJP NA NA +PJ101853 PNDHHRW C42H56N16O11 960.4315 NA PeJP NA NA +PJ101854 GPVMWWW C50H60N10O8S 960.4317 NA PeJP NA NA +PJ101855 GPDKEEMR C38H64N12O15S 960.4335 NA PeJP NA NA +PJ101856 GGGGGGGGLLEM C38H64N12O15S 960.4336 NA PeJP NA NA +PJ101857 SPKEEWW C46H60N10O13 960.4342 NA PeJP NA NA +PJ101858 APPQMMMR C39H68N12O10S3 960.4344 NA PeJP NA NA +PJ101859 CNEHFRR C39H60N16O11S 960.4349 NA PeJP NA NA +PJ101860 CCKKFFW C47H64N10O8S2 960.435 NA PeJP NA NA +PJ101861 NNRWWW C47H56N14O9 960.4355 NA PeJP NA NA +PJ101862 SSNNQQQR C35H60N16O16 960.4373 NA PeJP NA NA +PJ101863 DDDERRR C35H60N16O16 960.4374 NA PeJP NA NA +PJ101864 SSPPKEMW C43H64N10O13S 960.4375 NA PeJP NA NA +PJ101865 AAPKEEMW C43H64N10O13S 960.4376 NA PeJP NA NA +PJ101866 GPLYYYW C51H60N8O11 960.4382 NA PeJP NA NA +PJ101867 GGGGAPCMRR C36H64N16O11S2 960.4383 NA PeJP NA NA +PJ101868 LLMMMHW C44H68N10O8S3 960.4384 NA PeJP NA NA +PJ101869 GQMHFRW C44H60N14O9S 960.4389 NA PeJP NA NA +PJ101870 SSSSTTTKY C39H64N10O18 960.44 NA PeJP NA NA +PJ101871 GLQKEEEE C39H64N10O18 960.4401 NA PeJP NA NA +PJ101872 SSSKKMMY C40H68N10O13S2 960.4409 NA PeJP NA NA +PJ101873 GEEERRW C40H60N14O14 960.4414 NA PeJP NA NA +PJ101874 SVLMYYW C48H64N8O11S 960.4415 NA PeJP NA NA +PJ101875 VVTMYYW C48H64N8O11S 960.4416 NA PeJP NA NA +PJ101876 TCKMHRW C41H64N14O9S2 960.4423 NA PeJP NA NA +PJ101877 NNHHHFR C41H56N18O10 960.4427 NA PeJP NA NA +PJ101878 PMRWWW C49H60N12O7S 960.4429 NA PeJP NA NA +PJ101879 SSSLLEYY C44H64N8O16 960.4441 NA PeJP NA NA +PJ101880 SSSKEMHR C37H64N14O14S 960.4447 NA PeJP NA NA +PJ101881 GSPEEMRR C37H64N14O14S 960.4448 NA PeJP NA NA +PJ101882 LLQMMYY C45H68N8O11S2 960.4449 NA PeJP NA NA +PJ101883 GVEERWW C45H60N12O12 960.4454 NA PeJP NA NA +PJ101884 APPCMMRR C38H68N14O9S3 960.4456 NA PeJP NA NA +PJ101885 GSCKHHHR C38H60N18O10S 960.4461 NA PeJP NA NA +PJ101886 PTLLEEEM C41H68N8O16S 960.4474 NA PeJP NA NA +PJ101887 PPLLEMMM C42H72N8O11S3 960.4483 NA PeJP NA NA +PJ101888 SSNNNNRR C34H60N18O15 960.4486 NA PeJP NA NA +PJ101889 PDKEMRW C42H64N12O12S 960.4488 NA PeJP NA NA +PJ101890 AALEWWW C50H60N10O10 960.4494 NA PeJP NA NA +PJ101891 GPCCNRRR C35H64N18O10S2 960.4495 NA PeJP NA NA +PJ101892 GCHFRRW C43H60N16O8S 960.4501 NA PeJP NA NA +PJ101893 AAKEEEER C38H64N12O17 960.4513 NA PeJP NA NA +PJ101894 PPTTQMMR C39H68N12O12S2 960.4521 NA PeJP NA NA +PJ101895 GPLQEMMR C39H68N12O12S2 960.4522 NA PeJP NA NA +PJ101896 SNNERRW C39H60N16O13 960.4526 NA PeJP NA NA +PJ101897 GGGGGGGGVLHH C39H60N16O13 960.4527 NA PeJP NA NA +PJ101898 PVDKMWW C47H64N10O10S 960.4528 NA PeJP NA NA +PJ101899 LFFYWW C55H60N8O8 960.4534 NA PeJP NA NA +PJ101900 LMMHHHR C40H64N16O8S2 960.4535 NA PeJP NA NA +PJ101901 THHHHHR C40H56N20O9 960.454 NA PeJP NA NA +PJ101902 LQKEEEW C43H64N10O15 960.4553 NA PeJP NA NA +PJ101903 SSSTMHRR C36H64N16O13S 960.456 NA PeJP NA NA +PJ101904 APPTKMMW C44H68N10O10S2 960.4562 NA PeJP NA NA +PJ101905 EERRWW C44H60N14O11 960.4566 NA PeJP NA NA +PJ101906 GGGDKRWW C44H60N14O11 960.4567 NA PeJP NA NA +PJ101907 ALMFFFW C52H64N8O8S 960.4568 NA PeJP NA NA +PJ101908 CKMMHRR C37H68N16O8S3 960.4569 NA PeJP NA NA +PJ101909 APKKEEEM C40H68N10O15S 960.4587 NA PeJP NA NA +PJ101910 PVKEYYY C48H64N8O13 960.4593 NA PeJP NA NA +PJ101911 SVLLMMMH C41H72N10O10S3 960.4595 NA PeJP NA NA +PJ101912 GGPPLKMMM C41H72N10O10S3 960.4596 NA PeJP NA NA +PJ101913 SPEMRRW C41H64N14O11S 960.46 NA PeJP NA NA +PJ101914 VERWWW C49H60N12O9 960.4607 NA PeJP NA NA +PJ101915 DKEEERR C37H64N14O16 960.4625 NA PeJP NA NA +PJ101916 GTTLLMYY C45H68N8O13S 960.4627 NA PeJP NA NA +PJ101917 AAPEMMRR C38H68N14O11S2 960.4634 NA PeJP NA NA +PJ101918 QQQQHHR C38H60N18O12 960.4638 NA PeJP NA NA +PJ101919 GSPDHHRR C38H60N18O12 960.4639 NA PeJP NA NA +PJ101920 SPVMRWW C46H64N12O9S 960.464 NA PeJP NA NA +PJ101921 VVWWWW C54H60N10O7 960.4647 NA PeJP NA NA +PJ101922 SLLLEEEE C41H68N8O18 960.4652 NA PeJP NA NA +PJ101923 PVLLEEMM C42H72N8O13S2 960.4661 NA PeJP NA NA +PJ101924 VDKEERW C42H64N12O14 960.4665 NA PeJP NA NA +PJ101925 GGAADKKEW C42H64N12O14 960.4666 NA PeJP NA NA +PJ101926 NNDMRRR C35H64N18O12S 960.4672 NA PeJP NA NA +PJ101927 GGGGGGGCKRR C35H64N18O12S 960.4673 NA PeJP NA NA +PJ101928 PLQMMRW C43H68N12O9S2 960.4674 NA PeJP NA NA +PJ101929 GSNRRWW C43H60N16O10 960.4679 NA PeJP NA NA +PJ101930 APTKEEMR C39H68N12O14S 960.4699 NA PeJP NA NA +PJ101931 SLLQEWW C47H64N10O12 960.4705 NA PeJP NA NA +PJ101932 ALKEEWW C47H64N10O12 960.4706 NA PeJP NA NA +PJ101933 APPKMMMR C40H72N12O9S3 960.4708 NA PeJP NA NA +PJ101934 GQQMRRW C40H64N16O10S 960.4712 NA PeJP NA NA +PJ101935 GGAQMRRW C40H64N16O10S 960.4713 NA PeJP NA NA +PJ101936 APKHHWW C48H60N14O8 960.4719 NA PeJP NA NA +PJ101937 SEEERRR C36H64N16O15 960.4737 NA PeJP NA NA +PJ101938 TDEERRR C36H64N16O15 960.4738 NA PeJP NA NA +PJ101939 GPTLKEMW C44H68N10O12S 960.4739 NA PeJP NA NA +PJ101940 GLLFYYW C52H64N8O10 960.4746 NA PeJP NA NA +PJ101941 NNQHHRR C37H60N20O11 960.4751 NA PeJP NA NA +PJ101942 PPCFRRW C45H64N14O8S 960.4753 NA PeJP NA NA +PJ101943 GLKKEEEE C40H68N10O17 960.4764 NA PeJP NA NA +PJ101944 PPTKKEMM C41H72N10O12S2 960.4773 NA PeJP NA NA +PJ101945 SVEERRW C41H64N14O13 960.4778 NA PeJP NA NA +PJ101946 PLKMFYY C49H68N8O10S 960.4779 NA PeJP NA NA +PJ101947 GALLMFFY C49H68N8O10S 960.478 NA PeJP NA NA +PJ101948 PCLMRRW C42H68N14O8S2 960.4786 NA PeJP NA NA +PJ101949 STTTLLYY C45H68N8O15 960.4804 NA PeJP NA NA +PJ101950 PPTLLEEY C45H68N8O15 960.4805 NA PeJP NA NA +2865 NA YPFVEPIP 960.481 antibacterial Inhouse_peptide NA peptide +PJ101951 LQEEMRR C38H68N14O13S 960.4811 NA PeJP NA NA +PJ101952 GALEEMRR C38H68N14O13S 960.4812 NA PeJP NA NA +PJ101953 LLKMMYY C46H72N8O10S2 960.4813 NA PeJP NA NA +PJ101954 ATLERWW C46H64N12O11 960.4818 NA PeJP NA NA +PJ101955 KKMMMHR C39H72N14O8S3 960.482 NA PeJP NA NA +PJ101956 GCQRRRW C39H64N18O9S 960.4825 NA PeJP NA NA +PJ101957 VVLLEEEM C42H72N8O15S 960.4838 NA PeJP NA NA +PJ101958 GSSNERRR C35H64N18O14 960.485 NA PeJP NA NA +PJ101959 VLQEMRW C43H68N12O11S 960.4852 NA PeJP NA NA +PJ101960 GTLLWWW C51H64N10O9 960.4858 NA PeJP NA NA +PJ101961 VTTQQQKE C39H68N12O16 960.4876 NA PeJP NA NA +PJ101962 GTLKEEER C39H68N12O16 960.4877 NA PeJP NA NA +PJ101963 GPLKEMMR C40H72N12O11S2 960.4885 NA PeJP NA NA +PJ101964 GGGGPVKKMM C40H72N12O11S2 960.4886 NA PeJP NA NA +PJ101965 SNDKRRW C40H64N16O12 960.489 NA PeJP NA NA +PJ101966 PTLKMWW C48H68N10O9S 960.4892 NA PeJP NA NA +PJ101967 LKKEEEW C44H68N10O14 960.4917 NA PeJP NA NA +PJ101968 VDEMRRR C37H68N16O12S 960.4924 NA PeJP NA NA +PJ101969 GPVLKMMW C45H72N10O9S2 960.4926 NA PeJP NA NA +MJ098752 12-Oleanene-3,15,16,22,28-pentol, 3-O-[?-L-Arabinopyranosyl-[(1?2) or (1?3)]-?-D-glucopyranosyl-(1??)-?-D-glucuronopyranoside] C47H76O20 960.492994 NA MeJP NA NA +MJ098753 12-Oleanene-3,16,21,22,28-pentol, 3-O-[?-D-Xylopyranosyl-(1?3)-[?-D-galactopyranosyl-(1?2)]-?-D-glucuronopyranoside] C47H76O20 960.492994 NA MeJP NA NA +MJ098754 12-Oleanene-3,16,21,22,28-pentol, 3-O-[?-L-Arabinopyranosyl-(1?3)-[?-D-galactopyranosyl-(1?2)]-?-D-glucuronopyranoside] C47H76O20 960.492994 NA MeJP NA NA +MJ098755 2,3,16,23,24-Pentahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl] ester C47H76O20 960.492994 NA MeJP NA NA +MJ098756 2,3,21,23-Tetrahydroxy-12-oleanen-28-oic acid, 21-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 3-O-?-D-xylopyranoside C47H76O20 960.492994 NA MeJP NA NA +MJ098757 2,3,23,30-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside], ?-D-glucopyranosyl ester C47H76O20 960.492994 NA MeJP NA NA +MJ098758 2,3,6,16,23-Pentahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl] ester C47H76O20 960.492994 NA MeJP NA NA +MJ098759 20,24-Epoxy-3,16,25-trihydroxycucurbit-5-ene-11,22-dione, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] C47H76O20 960.492994 NA MeJP NA NA +PJ101970 GTQKRWW C45H64N14O10 960.493 NA PeJP NA NA +PJ101971 PCHHRRR C38H64N20O8S 960.4937 NA PeJP NA NA +PJ101972 SSPPTTLKM C41H72N10O14S 960.495 NA PeJP NA NA +PJ101973 SPLKKEEM C41H72N10O14S 960.4951 NA PeJP NA NA +PJ101974 VLLQYYY C49H68N8O12 960.4957 NA PeJP NA NA +PJ101975 PPVKKMMM C42H76N10O9S3 960.4959 NA PeJP NA NA +PJ101976 ALEMRRW C42H68N14O10S 960.4964 NA PeJP NA NA +PJ101977 QKKWWW C50H64N12O8 960.497 NA PeJP NA NA +PJ101978 GAKKWWW C50H64N12O8 960.4971 NA PeJP NA NA +PJ101979 GTTLEERR C38H68N14O15 960.4989 NA PeJP NA NA +PJ101980 PPVLLEMY C46H72N8O12S 960.4991 NA PeJP NA NA +PJ101981 GPTLMMRR C39H72N14O10S2 960.4998 NA PeJP NA NA +PJ101982 SSNRRRW C39H64N18O11 960.5002 NA PeJP NA NA +PJ101983 GGLEHHRR C39H64N18O11 960.5003 NA PeJP NA NA +PJ101984 GLLMRWW C47H68N12O8S 960.5004 NA PeJP NA NA +PJ101985 TLKEERW C43H68N12O13 960.5029 NA PeJP NA NA +PJ101986 GGGGGGGGLLLF C43H68N12O13 960.503 NA PeJP NA NA +PJ101987 SQQMRRR C36H68N18O11S 960.5036 NA PeJP NA NA +PJ101988 PLKMMRW C44H72N12O8S2 960.5038 NA PeJP NA NA +PJ101989 PTKHHRW C44H64N16O9 960.5043 NA PeJP NA NA +PJ101990 GVLKEEMR C40H72N12O13S 960.5063 NA PeJP NA NA +PJ101991 SLLKEWW C48H68N10O11 960.5069 NA PeJP NA NA +PJ101992 GGGPVLLYW C48H68N10O11 960.507 NA PeJP NA NA +PJ101993 GQKMRRW C41H68N16O9S 960.5076 NA PeJP NA NA +MJ098760 3,11,12,14-Tetrahydroxypregnan-20-one, 11-Benzoyl, 12-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] C51H76O17 960.508251 NA MeJP NA NA +MJ098761 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl, 3-O-[?-D-thevetopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C51H76O17 960.508251 NA MeJP NA NA +MJ098762 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl, 3-O-[?-D-thevetopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] C51H76O17 960.508251 NA MeJP NA NA +PJ101994 GSTQKERR C37H68N16O14 960.5101 NA PeJP NA NA +PJ101995 GGGGGGSTKKR C37H68N16O14 960.5102 NA PeJP NA NA +PJ101996 AALLKEMW C45H72N10O11S 960.5103 NA PeJP NA NA +PJ101997 PLKFFFY C53H68N8O9 960.511 NA PeJP NA NA +PJ101998 AEHHRRR C38H64N20O10 960.5115 NA PeJP NA NA +PJ101999 SVLKKEEE C41H72N10O16 960.5128 NA PeJP NA NA +PJ102000 PVVKKEMM C42H76N10O11S2 960.5137 NA PeJP NA NA +PJ102001 SQKKERW C42H68N14O12 960.5141 NA PeJP NA NA +PJ102002 TTLERRW C42H68N14O12 960.5142 NA PeJP NA NA +PJ102003 LLKMFFY C50H72N8O9S 960.5143 NA PeJP NA NA +PJ102004 SCQRRRR C35H68N20O10S 960.5148 NA PeJP NA NA +PJ102005 GGTCRRRR C35H68N20O10S 960.5149 NA PeJP NA NA +PJ102006 GLHHRRW C43H64N18O8 960.5155 NA PeJP NA NA +PJ102007 PVVLLEEY C46H72N8O14 960.5168 NA PeJP NA NA +PJ102008 LKEEMRR C39H72N14O12S 960.5175 NA PeJP NA NA +PJ102009 GGGGGAAKKKM C39H72N14O12S 960.5176 NA PeJP NA NA +PJ102010 PPLLLMMF C47H76N8O9S2 960.5177 NA PeJP NA NA +2616 synthetic peptide inhibitors of (PEP) IFPFVEPI 960.518 NA Inhouse_peptide NA peptide +PJ102011 STLLRWW C47H68N12O10 960.5182 NA PeJP NA NA +PJ102012 GCKRRRW C40H68N18O8S 960.5189 NA PeJP NA NA +PJ102013 TLLLLEEM C43H76N8O14S 960.5202 NA PeJP NA NA +PJ102014 PLLLLMMM C44H80N8O9S3 960.5211 NA PeJP NA NA +PJ102015 GSSDKRRR C36H68N18O13 960.5214 NA PeJP NA NA +PJ102016 LQQKKMW C44H72N12O10S 960.5215 NA PeJP NA NA +PJ102017 VLKEMRW C44H72N12O10S 960.5216 NA PeJP NA NA +PJ102018 PVVKFWW C52H68N10O8 960.5222 NA PeJP NA NA +PJ102019 SSLLKEER C40H72N12O15 960.524 NA PeJP NA NA +PJ102020 VVTTKEER C40H72N12O15 960.5241 NA PeJP NA NA +PJ102021 SPVLKMMR C41H76N12O10S2 960.5249 NA PeJP NA NA +PJ102022 STQKRRW C41H68N16O11 960.5254 NA PeJP NA NA +PJ102023 VVLKMWW C49H72N10O8S 960.5256 NA PeJP NA NA +PJ102024 ATTLLKEW C45H72N10O13 960.5281 NA PeJP NA NA +PJ102025 TLEMRRR C38H72N16O11S 960.5288 NA PeJP NA NA +MJ098763 12-Oleanene-3,11,16,23,28-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] C48H80O19 960.52938 NA MeJP NA NA +MJ098764 12-Oleanene-3,16,23,28-tetrol, 23-O-?-D-glucopyranoside, 28-O-?-gentiobioside C48H80O19 960.52938 NA MeJP NA NA +MJ098765 12-Oleanene-3,16,23,28-tetrol, 23-O-?-gentiobioside, 28-O-?-D-glucopyranoside C48H80O19 960.52938 NA MeJP NA NA +MJ098766 16,22-Epoxy-24-dammarene-3,15,16,20-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-galactopyranoside] C48H80O19 960.52938 NA MeJP NA NA +MJ098767 16,22-Epoxy-24-dammarene-3,15,16,20-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C48H80O19 960.52938 NA MeJP NA NA +MJ098768 3,11,16-Trihydroxycycloartan-24-one, 3-O-[?-D-Glucopyranosyl(1?3)-?-D-glucopyranosyl(1?2)-?-D-glucopyranoside] C48H80O19 960.52938 NA MeJP NA NA +MJ098769 3,11,25-Trihydroxycucurbit-5-en-24-one, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 25-O-?-D-glucopyranoside C48H80O19 960.52938 NA MeJP NA NA +MJ098770 3,11,25-Trihydroxycucurbit-5-en-24-one, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], 25-O-?-D-glucopyranoside C48H80O19 960.52938 NA MeJP NA NA +MJ098771 3,20,28-Lupanetriol, 28-Carboxylic acid, 3-O-[?-D-galactopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C48H80O19 960.52938 NA MeJP NA NA +MJ098772 3,20,28-Lupanetriol, 28-Carboxylic acid, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C48H80O19 960.52938 NA MeJP NA NA +MJ098773 3,24,25-Trihydroxycucurbit-5-en-11-one, 3-O-?-D-Glucopyranoside, 25-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C48H80O19 960.52938 NA MeJP NA NA +MJ098774 Cucurbita-5,24-diene-3,11,26-triol, 5?,6?-Epoxide, 3-O-?-D-glucopyranoside, 26-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C48H80O19 960.52938 NA MeJP NA NA +MJ098775 Cycloart-24-ene-3,16,22,28-tetrol, 3-O-?-D-Galactopyranoside, 22,29-di-O-?-D-glucopyranoside C48H80O19 960.52938 NA MeJP NA NA +MJ098776 Dammar-25-ene-3,12,20,24-tetrol, 24-Ketone, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-?-D-glucopyranoside C48H80O19 960.52938 NA MeJP NA NA +MJ098777 Dammara-5,24-diene-3,7,12,20-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H80O19 960.52938 NA MeJP NA NA +MJ098778 Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Cymaropyranosyl-(1?4)-3-O-methyl-?-D-glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-cymaropyranoside] C48H80O19 960.52938 NA MeJP NA NA +PJ102026 GTKKRWW C46H68N14O9 960.5294 NA PeJP NA NA +PJ102027 SLLLQKEM C42H76N10O13S 960.5314 NA PeJP NA NA +PJ102028 ALLKKEEM C42H76N10O13S 960.5315 NA PeJP NA NA +PJ102029 VLLKYYY C50H72N8O11 960.5321 NA PeJP NA NA +PJ102030 GSSSRRRR C35H68N20O12 960.5326 NA PeJP NA NA +PJ102031 SLLMRRW C43H72N14O9S 960.5328 NA PeJP NA NA +PJ102032 KKKWWW C51H68N12O7 960.5334 NA PeJP NA NA +MJ098779 Cephalostatin 13 C54H76N2O13 960.53474 NA MeJP NA NA +PJ102033 SSTLLERR C39H72N14O14 960.5353 NA PeJP NA NA +PJ102034 PVLLLEMF C47H76N8O11S 960.5355 NA PeJP NA NA +PJ102035 AALLMMRR C40H76N14O9S2 960.5362 NA PeJP NA NA +PJ102036 AQQFRRR C40H68N18O10 960.5366 NA PeJP NA NA +PJ102037 VLLLLEMM C44H80N8O11S2 960.5388 NA PeJP NA NA +PJ102038 SSSLLLRW C44H72N12O12 960.5393 NA PeJP NA NA +PJ102039 SQKMRRR C37H72N18O10S 960.54 NA PeJP NA NA +PJ102040 AKHFFRR C45H68N16O8 960.5406 NA PeJP NA NA +PJ102041 PPLHRRW C45H68N16O8 960.5407 NA PeJP NA NA +PJ102042 ATLLKEMR C41H76N12O12S 960.5427 NA PeJP NA NA +PJ102043 AAPLLKYW C49H72N10O10 960.5433 NA PeJP NA NA +PJ102044 GKKMRRW C42H72N16O8S 960.544 NA PeJP NA NA +PJ102045 GSTKKERR C38H72N16O13 960.5465 NA PeJP NA NA +PJ102046 GTLLLKMW C46H76N10O10S 960.5467 NA PeJP NA NA +PJ102047 VLMMRRR C39H76N16O8S2 960.5474 NA PeJP NA NA +PJ102048 GNFRRRR C39H68N20O9 960.5479 NA PeJP NA NA +PJ102049 TTLLKKEE C42H76N10O15 960.5492 NA PeJP NA NA +PJ102050 PTLLKKMM C43H80N10O10S2 960.5501 NA PeJP NA NA +PJ102051 SKKKERW C43H72N14O11 960.5505 NA PeJP NA NA +PJ102052 GGGPVKKRY C43H72N14O11 960.5506 NA PeJP NA NA +PJ102053 SCKRRRR C36H72N20O9S 960.5512 NA PeJP NA NA +PJ102054 PTLLLLEY C47H76N8O13 960.5532 NA PeJP NA NA +PJ102055 ATTLLMRR C40H76N14O11S 960.5539 NA PeJP NA NA +PJ102056 SVKKKWW C48H72N12O9 960.5546 NA PeJP NA NA +PJ102057 GSTTKRRR C37H72N18O12 960.5578 NA PeJP NA NA +PJ102058 LQKKKMW C45H76N12O9S 960.5579 NA PeJP NA NA +PJ102059 TTTLLKER C41H76N12O14 960.5604 NA PeJP NA NA +PJ102060 GLLLKMMR C42H80N12O9S2 960.5613 NA PeJP NA NA +PJ102061 STKKRRW C42H72N16O10 960.5618 NA PeJP NA NA +PJ102062 STTLLLKW C46H76N10O12 960.5644 NA PeJP NA NA +MJ098780 Antibiotic LI-F; Antibiotic LIF-03B C46H76N10O12 960.564417 NA MeJP NA NA +PJ102063 STTIILKW C46H76N10O12 960.5645 NA PeJP NA NA +PJ102064 DKKKMRR C39H76N16O10S 960.5651 NA PeJP NA NA +PJ102065 AATKKMRR C39H76N16O10S 960.5652 NA PeJP NA NA +PJ102066 ALLFRRW C47H72N14O8 960.5658 NA PeJP NA NA +PJ102067 SLLLKKEM C43H80N10O12S 960.5678 NA PeJP NA NA +PJ102068 PPVLLLFY C51H76N8O10 960.5685 NA PeJP NA NA +PJ102069 CLKKKRW C44H76N14O8S 960.5692 NA PeJP NA NA +PJ102070 TTTTLLRR C40H76N14O13 960.5717 NA PeJP NA NA +PJ102071 PVLLLLMY C48H80N8O10S 960.5719 NA PeJP NA NA +PJ102072 AQKFRRR C41H72N18O9 960.573 NA PeJP NA NA +PJ102073 GTTLKKKW C45H76N12O11 960.5757 NA PeJP NA NA +PJ102074 SKKMRRR C38H76N18O9S 960.5764 NA PeJP NA NA +MJ098781 Megalomicin A; 3A,4A-Di-Ac C48H84N2O17 960.576999 NA MeJP NA NA +C11987 Megalomicin C1 C48H84N2O17 960.577 NA KEGG NA NA +MJ098782 Acyclodidemnin A C49H80N6O13 960.578336 NA MeJP NA NA +PJ102075 STLLLKMR C42H80N12O11S 960.5791 NA PeJP NA NA +PJ102076 AALLLKFW C50H76N10O9 960.5797 NA PeJP NA NA +PJ102077 SSSLKKRR C39H76N16O12 960.5829 NA PeJP NA NA +PJ102078 PVVLKKMF C47H80N10O9S 960.5831 NA PeJP NA NA +PJ102079 SSSTLLLLK C43H80N10O14 960.5856 NA PeJP NA NA +PJ102080 VVLLKKMM C44H84N10O9S2 960.5865 NA PeJP NA NA +PJ102081 LLLQRRY C44H76N14O10 960.5869 NA PeJP NA NA +PJ102082 VVLLLLEY C48H80N8O12 960.5896 NA PeJP NA NA +PJ102083 GTLKKKMR C41H80N14O10S 960.5903 NA PeJP NA NA +PJ102084 VLLKFRW C49H76N12O8 960.5909 NA PeJP NA NA +PJ102085 PKKKKFW C49H76N12O8 960.591 NA PeJP NA NA +PJ102086 LKKKKMW C46H80N12O8S 960.5943 NA PeJP NA NA +PJ102087 STLKKKKE C42H80N12O13 960.5968 NA PeJP NA NA +PJ102088 VVLRRRY C43H76N16O9 960.5982 NA PeJP NA NA +PJ102089 SPLLLKKY C47H80N10O11 960.6008 NA PeJP NA NA +PJ102090 GAALLLLKY C47H80N10O11 960.6009 NA PeJP NA NA +PJ102091 PVLLLLFF C52H80N8O9 960.6049 NA PeJP NA NA +PJ102092 STTLKKKR C41H80N14O12 960.608 NA PeJP NA NA +PJ102093 SSQKKKKK C41H80N14O12 960.6081 NA PeJP NA NA +PJ102094 VLLLLLMF C49H84N8O9S 960.6082 NA PeJP NA NA +PJ102095 AKKFRRR C42H76N18O8 960.6094 NA PeJP NA NA +PJ102096 GVLLLKRY C46H80N12O10 960.6121 NA PeJP NA NA +PJ102097 SVLKKKKM C43H84N12O10S 960.6155 NA PeJP NA NA +PJ102098 LLLKRRY C45H80N14O9 960.6233 NA PeJP NA NA +PJ102099 TLLLLLLY C49H84N8O11 960.626 NA PeJP NA NA +PJ102100 ACKKKKKK C42H84N14O9S 960.6267 NA PeJP NA NA +PJ102101 VKKKFRR C44H80N16O8 960.6345 NA PeJP NA NA +PJ102102 ALLLLKKY C48H84N10O10 960.6372 NA PeJP NA NA +PJ102103 SSKKKKKK C42H84N14O11 960.6444 NA PeJP NA NA +PJ102104 GLLKKKKF C47H84N12O9 960.6485 NA PeJP NA NA +C07302 3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA C31H46N7O20P3S 961.1731 NA KEGG NA NA +C07303 4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA C31H46N7O20P3S 961.1731 NA KEGG NA NA +MetaCyc04346 4-hydroxy-3-methoxyphenyl-β-hydroxypropionyl-CoA [3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA;] C31H46N7O20P3S1 961.173117 NA metacyc NA NA +PJ102105 GCCCCCCMH C31H51N11O10S7 961.1866 NA PeJP NA NA +FL7AAGGL0026 Salviadelphin C42H41O26 961.1886 128508-45-2 knapsack NA NA +PJ102106 GCCCCDDDE C31H47N9O18S4 961.1922 NA PeJP NA NA +PJ102107 STCCCCCCH C31H51N11O12S6 961.2043 NA PeJP NA NA +PJ102108 GGGGPCCCCCC C31H51N11O12S6 961.2044 NA PeJP NA NA +PJ102109 CCCCDDDW C35H47N9O15S4 961.2075 NA PeJP NA NA +C01291 3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA C32H50N7O19P3S 961.2095 NA KEGG NA NA +PJ102110 SSCCCDDDD C31H47N9O20S3 961.21 NA PeJP NA NA +PJ102111 SPCCCCCDE C32H51N9O15S5 961.2109 NA PeJP NA NA +PJ102112 PPCCCCCCM C33H55N9O10S7 961.2117 NA PeJP NA NA +PJ102113 GCCCCNNDM C31H51N11O14S5 961.2221 NA PeJP NA NA +PJ102114 GSCCCDDEM C32H51N9O17S4 961.2286 NA PeJP NA NA +PJ102115 GPCCCCDMM C33H55N9O12S6 961.2295 NA PeJP NA NA +PJ102116 CCCCCNQW C35H51N11O11S5 961.2373 NA PeJP NA NA +PJ102117 GGCCCCCQW C35H51N11O11S5 961.2374 NA PeJP NA NA +PJ102118 SSCCCCNNE C31H51N11O16S4 961.2398 NA PeJP NA NA +PJ102119 GGSSCCCCNE C31H51N11O16S4 961.2399 NA PeJP NA NA +PJ102120 CCNDDDDY C35H47N9O19S2 961.243 NA PeJP NA NA +PJ102121 SCCCDDMW C36H51N9O14S4 961.2439 NA PeJP NA NA +PJ102122 SSSCCDDDM C32H51N9O19S3 961.2464 NA PeJP NA NA +PJ102123 CCNDDMMM C33H55N9O14S5 961.2472 NA PeJP NA NA +PJ102124 GGCCDDMMM C33H55N9O14S5 961.2473 NA PeJP NA NA +PJ102125 GPCCCCCHH C34H51N13O10S5 961.2486 NA PeJP NA NA +PJ102126 GSSCCCCNW C35H51N11O13S4 961.2551 NA PeJP NA NA +PJ102127 GSSSSCCCND C31H51N11O18S3 961.2576 NA PeJP NA NA +PJ102128 CCCCDEMR C32H55N11O13S5 961.2585 NA PeJP NA NA +PJ102129 GSPCCCDDY C36H51N9O16S3 961.2616 NA PeJP NA NA +PJ102130 GCCCEMMW C37H55N9O11S5 961.2625 NA PeJP NA NA +PJ102131 GSSCCDEMM C33H55N9O16S4 961.265 NA PeJP NA NA +PJ102132 GSPCCCMMM C34H59N9O11S6 961.2659 NA PeJP NA NA +PJ102133 CCCNDMHH C34H51N13O12S4 961.2663 NA PeJP NA NA +PJ102134 GGCCCDMHH C34H51N13O12S4 961.2664 NA PeJP NA NA +PJ102135 GSCCCCCQR C31H55N13O12S5 961.2697 NA PeJP NA NA +PJ102136 CNDDDDEH C34H47N11O20S 961.272 NA PeJP NA NA +PJ102137 CCCNNNEY C35H51N11O15S3 961.2729 NA PeJP NA NA +PJ102138 CCCCCNKW C36H55N11O10S5 961.2737 NA PeJP NA NA +PJ102139 SSSCCCNQM C32H55N11O15S4 961.2762 NA PeJP NA NA +PJ102140 GCCCDEFW C40H51N9O13S3 961.2769 NA PeJP NA NA +PJ102141 CCCMMWW C41H55N9O8S5 961.2778 NA PeJP NA NA +PJ102142 SCNDDDMY C36H51N9O18S2 961.2794 NA PeJP NA NA +PJ102143 SSCCDMMW C37H55N9O13S4 961.2803 NA PeJP NA NA +PJ102144 ACCCCHHW C38H51N13O9S4 961.2816 NA PeJP NA NA +PJ102145 SSTTCCCEE C33H55N9O18S3 961.2827 NA PeJP NA NA +PJ102146 SSSSCDDMM C33H55N9O18S3 961.2828 NA PeJP NA NA +PJ102147 SCNDMMMM C34H59N9O13S5 961.2836 NA PeJP NA NA +PJ102148 GSSCCCEHH C34H51N13O14S3 961.2841 NA PeJP NA NA +PJ102149 GCDDDDHW C38H47N11O17S 961.2873 NA PeJP NA NA +PJ102150 SSSCCCCNR C31H55N13O14S4 961.2875 NA PeJP NA NA +PJ102151 GCCCNNYW C39H51N11O12S3 961.2881 NA PeJP NA NA +PJ102152 GSSDDDDDH C34H47N11O22 961.2898 NA PeJP NA NA +PJ102153 GSSCCNNDY C35H51N11O17S2 961.2906 NA PeJP NA NA +PJ102154 PCCCCDRY C36H55N11O12S4 961.2915 NA PeJP NA NA +PJ102155 CCCDFWW C44H51N9O10S3 961.2921 NA PeJP NA NA +PJ102156 GSSSSSCCNM C32H55N11O17S3 961.294 NA PeJP NA NA +PJ102157 GSCCDEYW C40H51N9O15S2 961.2946 NA PeJP NA NA +PJ102158 SCCCEMMR C33H59N11O12S5 961.2949 NA PeJP NA NA +PJ102159 GPCCCMYW C41H55N9O10S4 961.2955 NA PeJP NA NA +PJ102160 GSSSCDDEY C36H51N9O20S 961.2971 NA PeJP NA NA +PJ102161 GPPCDDDDE C36H51N9O20S 961.2972 NA PeJP NA NA +PJ102162 GCNDEMMY C37H55N9O15S3 961.298 NA PeJP NA NA +PJ102163 GTCCMMMW C38H59N9O10S5 961.2989 NA PeJP NA NA +PJ102164 SSCCCHHW C38H51N13O11S3 961.2994 NA PeJP NA NA +PJ102165 GSSSCEMMM C34H59N9O15S4 961.3014 NA PeJP NA NA +PJ102166 SSSSCCDHH C34H51N13O16S2 961.3019 NA PeJP NA NA +PJ102167 GCQMMMMM C35H63N9O10S6 961.3023 NA PeJP NA NA +PJ102168 CCCCNNFR C35H55N13O11S4 961.3027 NA PeJP NA NA +PJ102169 SPCCDDHW C39H51N11O14S2 961.3059 NA PeJP NA NA +PJ102170 GSCCCCCKR C32H59N13O11S5 961.3061 NA PeJP NA NA +PJ102171 SNDDDEMH C35H51N11O19S 961.3084 NA PeJP NA NA +PJ102172 SCCNNQMY C36H55N11O14S3 961.3092 NA PeJP NA NA +PJ102173 GCCDDMRY C36H55N11O14S3 961.3093 NA PeJP NA NA +PJ102174 SCCDYWW C44H51N9O12S2 961.3099 NA PeJP NA NA +PJ102175 PCCCCMFR C37H59N11O9S5 961.3101 NA PeJP NA NA +PJ102176 SSSSSSSCCQ C32H55N11O19S2 961.3117 NA PeJP NA NA +PJ102177 SSSCDDYW C40H51N9O17S 961.3124 NA PeJP NA NA +PJ102178 SSSCCCNKM C33H59N11O14S4 961.3126 NA PeJP NA NA +PJ102179 GSCCNNNNH C33H51N15O15S2 961.3131 NA PeJP NA NA +PJ102180 CNDMMYW C41H55N9O12S3 961.3133 NA PeJP NA NA +PJ102181 GCCMMMMR C34H63N11O9S6 961.3135 NA PeJP NA NA +PJ102182 TCCCCHHR C34H55N15O10S4 961.314 NA PeJP NA NA +PJ102183 SSSSSDDDY C36H51N9O22 961.3149 NA PeJP NA NA +PJ102184 SSNDDMMY C37H55N9O17S2 961.3158 NA PeJP NA NA +PJ102185 SSSCMMMW C38H59N9O12S4 961.3166 NA PeJP NA NA +PJ102186 GAACCEMMF C38H59N9O12S4 961.3167 NA PeJP NA NA +PJ102187 GCCNNEHW C38H51N13O13S2 961.3171 NA PeJP NA NA +PJ102188 DDEEEYY C41H51N7O20 961.3189 NA PeJP NA NA +PJ102189 SSSSSDMMM C34H59N9O17S3 961.3191 NA PeJP NA NA +PJ102190 SCDDDDHR C34H51N13O18S 961.3196 NA PeJP NA NA +PJ102191 GGGGGGGGGPCDD C34H51N13O18S 961.3197 NA PeJP NA NA +PJ102192 SSNMMMMM C35H63N9O12S5 961.32 NA PeJP NA NA +PJ102193 SCCCNNRY C35H55N13O13S3 961.3205 NA PeJP NA NA +MJ098783 Triptonine B C45H55NO22 961.321572 NA MeJP NA NA +PJ102194 EEEMMMY C39H59N7O15S3 961.3232 NA PeJP NA NA +PJ102195 GSDDDMHW C39H51N11O16S 961.3236 NA PeJP NA NA +PJ102196 GGGGGGGCDYY C39H51N11O16S 961.3237 NA PeJP NA NA +PJ102197 CCCERYW C40H55N11O11S3 961.3245 NA PeJP NA NA +PJ102198 GSSSDDEEH C35H51N11O21 961.3261 NA PeJP NA NA +PJ102199 PDDDDDDR C35H51N11O21 961.3262 NA PeJP NA NA +PJ102200 SSCCDERY C36H55N11O16S2 961.327 NA PeJP NA NA +PJ102201 CNDDFYW C44H51N9O14S 961.3277 NA PeJP NA NA +PJ102202 SPCCCMRY C37H59N11O11S4 961.3279 NA PeJP NA NA +PJ102203 PCCNDHHH C37H51N15O12S2 961.3284 NA PeJP NA NA +PJ102204 ACCMYWW C45H55N9O9S3 961.3285 NA PeJP NA NA +PJ102205 GSSSSSSSSSC C32H55N11O21S 961.3295 NA PeJP NA NA +PJ102206 GPDDDEEW C40H51N9O19 961.3302 NA PeJP NA NA +PJ102207 GSSSSTCCCK C33H59N11O16S3 961.3304 NA PeJP NA NA +PJ102208 GSSCEMYW C41H55N9O14S2 961.331 NA PeJP NA NA +PJ102209 STCCMMMR C34H63N11O11S5 961.3312 NA PeJP NA NA +PJ102210 CNMMMFW C42H59N9O9S4 961.3319 NA PeJP NA NA +PJ102211 CCNNHWW C42H51N13O10S2 961.3324 NA PeJP NA NA +PJ102212 GSSSSDEMY C37H55N9O19S 961.3335 NA PeJP NA NA +PJ102213 GSNEMMMY C38H59N9O14S3 961.3344 NA PeJP NA NA +PJ102214 SSCNNDHW C38H51N13O15S 961.3349 NA PeJP NA NA +PJ102215 GCMYYYY C46H55N7O12S2 961.335 NA PeJP NA NA +PJ102216 PCCCKMMF C39H63N9O9S5 961.3353 NA PeJP NA NA +PJ102217 GCCQMHHF C39H55N13O10S3 961.3357 NA PeJP NA NA +PJ102218 GGVCCCHHF C39H55N13O10S3 961.3358 NA PeJP NA NA +PJ102219 SSSSNNDDH C34H51N13O20 961.3374 NA PeJP NA NA +PJ102220 DEEEMFY C42H55N7O17S 961.3376 NA PeJP NA NA +PJ102221 GSSSTMMMM C35H63N9O14S4 961.3378 NA PeJP NA NA +PJ102222 ACCDEEHR C35H55N13O15S2 961.3382 NA PeJP NA NA +PJ102223 GCDDEMHR C35H55N13O15S2 961.3383 NA PeJP NA NA +PJ102224 GCKMMMMM C36H67N9O9S6 961.3386 NA PeJP NA NA +PJ102225 SCDEHWW C43H51N11O13S 961.3389 NA PeJP NA NA +PJ102226 TCCCKMHH C36H59N13O10S4 961.3391 NA PeJP NA NA +PJ102227 PCCMHWW C44H55N11O8S3 961.3398 NA PeJP NA NA +PJ102228 SSSDDEHW C39H51N11O18 961.3414 NA PeJP NA NA +PJ102229 NDEMMHW C40H55N11O13S2 961.3423 NA PeJP NA NA +PJ102230 SSSSSCNQY C36H55N11O18S 961.3447 NA PeJP NA NA +PJ102231 GGSSSSSCQY C36H55N11O18S 961.3448 NA PeJP NA NA +PJ102232 PDDDEWW C44H51N9O16 961.3454 NA PeJP NA NA +PJ102233 GSCDMMRY C37H59N11O13S3 961.3456 NA PeJP NA NA +PJ102234 GGGGSPPPCCM C37H59N11O13S3 961.3457 NA PeJP NA NA +PJ102235 GNDDMHHH C37H51N15O14S 961.3461 NA PeJP NA NA +PJ102236 SSCMYWW C45H55N9O11S2 961.3463 NA PeJP NA NA +PJ102237 GCCCHHFR C38H55N15O9S3 961.347 NA PeJP NA NA +PJ102238 SSSSSSSCCK C33H59N11O18S2 961.3481 NA PeJP NA NA +PJ102239 GSNNNNNND C33H51N15O19 961.3486 NA PeJP NA NA +PJ102240 GGGGGGGGGGGGGSD C33H51N15O19 961.3487 NA PeJP NA NA +PJ102241 SSSSDMYW C41H55N9O16S 961.3488 NA PeJP NA NA +PJ102242 SSTCCCCKK C34H63N11O13S4 961.349 NA PeJP NA NA +PJ102243 SCCNNEHR C34H55N15O14S2 961.3495 NA PeJP NA NA +PJ102244 SNMMMYW C42H59N9O11S3 961.3496 NA PeJP NA NA +PJ102245 GGSMMMYW C42H59N9O11S3 961.3497 NA PeJP NA NA +PJ102246 SSSSSSEEY C37H55N9O21 961.3513 NA PeJP NA NA +PJ102247 SSSQEMMY C38H59N9O16S2 961.3521 NA PeJP NA NA +PJ102248 AASSSDMMY C38H59N9O16S2 961.3522 NA PeJP NA NA +PJ102249 GNNNNDEW C38H51N13O17 961.3526 NA PeJP NA NA +PJ102250 GGGGGGGNDEW C38H51N13O17 961.3527 NA PeJP NA NA +PJ102251 STCYYYY C46H55N7O14S 961.3528 NA PeJP NA NA +PJ102252 QQMMMMY C39H63N9O11S4 961.353 NA PeJP NA NA +PJ102253 CDDMHRW C39H55N13O12S2 961.3535 NA PeJP NA NA +PJ102254 TEEEEYY C42H55N7O19 961.3553 NA PeJP NA NA +PJ102255 SSSSTTMMM C35H63N9O16S3 961.3555 NA PeJP NA NA +PJ102256 SSDDDMHR C35H55N13O17S 961.356 NA PeJP NA NA +PJ102257 PEEMMYY C43H59N7O14S2 961.3562 NA PeJP NA NA +PJ102258 STCKMMMM C36H67N9O11S5 961.3564 NA PeJP NA NA +PJ102259 NDDEHFW C43H51N11O15 961.3567 NA PeJP NA NA +PJ102260 SPCCEMHR C36H59N13O12S3 961.3569 NA PeJP NA NA +PJ102261 SCNNNHHH C36H51N17O13S 961.3573 NA PeJP NA NA +PJ102262 GGGGSCNHHH C36H51N17O13S 961.3574 NA PeJP NA NA +PJ102263 GDMMHWW C44H55N11O10S2 961.3575 NA PeJP NA NA +PJ102264 GSSEEMHW C40H55N11O15S 961.36 NA PeJP NA NA +PJ102265 TCCMRYW C41H59N11O10S3 961.3609 NA PeJP NA NA +PJ102266 CNEHHHW C41H51N15O11S 961.3614 NA PeJP NA NA +PJ102267 ACCFFWW C49H55N9O8S2 961.3615 NA PeJP NA NA +PJ102268 GSSSSSSSNY C36H55N11O20 961.3625 NA PeJP NA NA +PJ102269 GGGGGGVDEEE C36H55N11O20 961.3626 NA PeJP NA NA +PJ102270 SSSCEMRY C37H59N11O15S2 961.3634 NA PeJP NA NA +PJ102271 SSNDEHHH C37H51N15O16 961.3639 NA PeJP NA NA +PJ102272 GNEMYYW C45H55N9O13S 961.364 NA PeJP NA NA +PJ102273 CQMMMRY C38H63N11O10S4 961.3642 NA PeJP NA NA +PJ102274 GACMMMRY C38H63N11O10S4 961.3643 NA PeJP NA NA +PJ102275 GSCCNHRW C38H55N15O11S2 961.3647 NA PeJP NA NA +PJ102276 CMMHFFF C46H59N9O8S3 961.3649 NA PeJP NA NA +PJ102277 ASPDEEEW C41H55N9O18 961.3665 NA PeJP NA NA +PJ102278 GSPEEEEW C41H55N9O18 961.3666 NA PeJP NA NA +PJ102279 GSSSCNDHR C34H55N15O16S 961.3672 NA PeJP NA NA +PJ102280 GGGGGGGGNNQM C34H55N15O16S 961.3673 NA PeJP NA NA +PJ102281 GSSTMMYW C42H59N9O13S2 961.3674 NA PeJP NA NA +PJ102282 NNNNDWW C42H51N13O14 961.3679 NA PeJP NA NA +PJ102283 GCFFYYY C50H55N7O11S 961.3681 NA PeJP NA NA +PJ102284 GSSSTTEMY C38H59N9O18S 961.3699 NA PeJP NA NA +PJ102285 PDEEFYY C46H55N7O16 961.3706 NA PeJP NA NA +PJ102286 GSDKMMMY C39H63N9O13S3 961.3708 NA PeJP NA NA +PJ102287 SSSNNMHW C39H55N13O14S 961.3712 NA PeJP NA NA +PJ102288 GPCNDDRW C39H55N13O14S 961.3713 NA PeJP NA NA +PJ102289 GDDHFWW C47H51N11O12 961.3719 NA PeJP NA NA +PJ102290 PPCCCHFR C40H59N13O9S3 961.3721 NA PeJP NA NA +PJ102291 SSSSSNQEH C35H55N13O19 961.3737 NA PeJP NA NA +PJ102292 GNNDEEER C35H55N13O19 961.3738 NA PeJP NA NA +PJ102293 VEEEMYY C43H59N7O16S 961.3739 NA PeJP NA NA +PJ102294 GSDEMMHR C36H59N13O14S2 961.3746 NA PeJP NA NA +PJ102295 GGGGGGGGPQMM C36H59N13O14S2 961.3747 NA PeJP NA NA +PJ102296 SSEMHWW C44H55N11O12S 961.3753 NA PeJP NA NA +PJ102297 CCMMRRY C37H63N13O9S4 961.3755 NA PeJP NA NA +PJ102298 GCHHHWW C45H51N15O8S 961.3766 NA PeJP NA NA +PJ102299 SSSTEEHW C40H55N11O17 961.3778 NA PeJP NA NA +PJ102300 CNNNNNNR C33H55N17O15S 961.3785 NA PeJP NA NA +PJ102301 TQEMMHW C41H59N11O12S2 961.3786 NA PeJP NA NA +PJ102302 GATEMMHW C41H59N11O12S2 961.3787 NA PeJP NA NA +PJ102303 GSSDHHHW C41H51N15O13 961.3791 NA PeJP NA NA +PJ102304 NMYYWW C49H55N9O10S 961.3793 NA PeJP NA NA +PJ102305 GGACCCHRR C34H59N17O10S3 961.3794 NA PeJP NA NA +PJ102306 SSSSSCNKY C37H59N11O17S 961.3811 NA PeJP NA NA +PJ102307 GPDEEEMR C37H59N11O17S 961.3812 NA PeJP NA NA +PJ102308 SPEEEWW C45H55N9O15 961.3818 NA PeJP NA NA +PJ102309 GSSMMMRY C38H63N11O12S3 961.382 NA PeJP NA NA +PJ102310 GCNNDHFR C38H55N15O13S 961.3825 NA PeJP NA NA +PJ102311 PPDMMWW C46H59N9O10S2 961.3827 NA PeJP NA NA +PJ102312 GNDDDDRR C34H55N15O18 961.385 NA PeJP NA NA +MJ098784 Micropeptin 90 C42H59N9O15S 961.385132 NA MeJP NA NA +PJ102313 SSSTTMYW C42H59N9O15S 961.3852 NA PeJP NA NA +PJ102314 QYYYYY C50H55N7O13 961.3858 NA PeJP NA NA +PJ102315 SSCNQMHR C35H59N15O13S2 961.3859 NA PeJP NA NA +PJ102316 TCKMMYW C43H63N9O10S3 961.386 NA PeJP NA NA +PJ102317 GGAAMMMFF C43H63N9O10S3 961.3861 NA PeJP NA NA +PJ102318 NNNMHFW C43H55N13O11S 961.3865 NA PeJP NA NA +PJ102319 SSSSTTTEY C38H59N9O20 961.3876 NA PeJP NA NA +PJ102320 GLQEEEEE C38H59N9O20 961.3877 NA PeJP NA NA +PJ102321 SSSKEMMY C39H63N9O15S2 961.3885 NA PeJP NA NA +PJ102322 GAPPTEEMM C39H63N9O15S2 961.3886 NA PeJP NA NA +PJ102323 NNDEERW C39H55N13O16 961.389 NA PeJP NA NA +PJ102324 GGGGGGGGGAPDF C39H55N13O16 961.3891 NA PeJP NA NA +PJ102325 PPEMYYY C47H59N7O13S 961.3892 NA PeJP NA NA +PJ102326 QKMMMMY C40H67N9O10S4 961.3894 NA PeJP NA NA +PJ102327 SDMMHRW C40H59N13O11S2 961.3899 NA PeJP NA NA +PJ102328 EEHHHHH C40H51N17O12 961.3904 NA PeJP NA NA +PJ102329 GPCQWWW C48H55N11O9S 961.3905 NA PeJP NA NA +PJ102330 SSSEEMHR C36H59N13O16S 961.3924 NA PeJP NA NA +PJ102331 LEEMMFY C44H63N7O13S2 961.3926 NA PeJP NA NA +PJ102332 GQQEEWW C44H55N11O14 961.393 NA PeJP NA NA +PJ102333 GGGAAEEWW C44H55N11O14 961.3931 NA PeJP NA NA +PJ102334 QEMMMHR C37H63N13O11S3 961.3933 NA PeJP NA NA +PJ102335 GSCEHHHR C37H55N17O12S 961.3937 NA PeJP NA NA +PJ102336 ATMMHWW C45H59N11O9S2 961.3939 NA PeJP NA NA +PJ102337 PDEEMRW C41H59N11O14S 961.3964 NA PeJP NA NA +PJ102338 GSTYYWW C49H55N9O12 961.397 NA PeJP NA NA +PJ102339 PPDDFWW C49H55N9O12 961.3971 NA PeJP NA NA +PJ102340 VQMMMHW C42H63N11O9S3 961.3973 NA PeJP NA NA +PJ102341 SQMHHHW C42H55N15O10S 961.3977 NA PeJP NA NA +PJ102342 GGTMHHHW C42H55N15O10S 961.3978 NA PeJP NA NA +PJ102343 AAEEEEER C37H59N11O19 961.3989 NA PeJP NA NA +PJ102344 SSSTMMRY C38H63N11O14S2 961.3998 NA PeJP NA NA +PJ102345 GSNNNDRW C38H55N15O15 961.4002 NA PeJP NA NA +PJ102346 GGGGGSNDRW C38H55N15O15 961.4003 NA PeJP NA NA +PJ102347 PVDEMWW C46H59N9O12S 961.4004 NA PeJP NA NA +PJ102348 CKMMMRY C39H67N11O9S4 961.4006 NA PeJP NA NA +PJ102349 PPPCMMMR C39H67N11O9S4 961.4007 NA PeJP NA NA +PJ102350 AAQMMHHH C39H59N15O10S2 961.4011 NA PeJP NA NA +PJ102351 GSNHHHHH C39H51N19O11 961.4016 NA PeJP NA NA +PJ102352 PPCHHWW C47H55N13O8S 961.4018 NA PeJP NA NA +PJ102353 LQEEEEW C42H59N9O17 961.4029 NA PeJP NA NA +PJ102354 SPCNDDRR C35H59N15O15S 961.4036 NA PeJP NA NA +PJ102355 GGGGGGGGAEMR C35H59N15O15S 961.4037 NA PeJP NA NA +PJ102356 APPTEMMW C43H63N9O12S2 961.4038 NA PeJP NA NA +PJ102357 GNDERWW C43H55N13O13 961.4043 NA PeJP NA NA +PJ102358 CEMMHRR C36H63N15O10S3 961.4045 NA PeJP NA NA +PJ102359 SSSSSTLMY C39H63N9O17S 961.4063 NA PeJP NA NA +PJ102360 PVEEYYY C47H59N7O15 961.4069 NA PeJP NA NA +PJ102361 VEEEFFY C47H59N7O15 961.407 NA PeJP NA NA +PJ102362 GTTKMMMY C40H67N9O12S3 961.4072 NA PeJP NA NA +PJ102363 GSPNDMRW C40H59N13O13S 961.4076 NA PeJP NA NA +PJ102364 GGGSPDMRW C40H59N13O13S 961.4077 NA PeJP NA NA +PJ102365 QQEWWW C48H55N11O11 961.4083 NA PeJP NA NA +PJ102366 AMMMHRW C41H63N13O8S3 961.4085 NA PeJP NA NA +PJ102367 SCHHHRW C41H55N17O9S 961.409 NA PeJP NA NA +3109 adrenocorticotropin hormone fr,: 4-10 MEHFRWG 961.4094 celiac toxic Inhouse_peptide NA peptide +PJ102368 GSQQEEER C36H59N13O18 961.4101 NA PeJP NA NA +PJ102369 DEEEERR C36H59N13O18 961.4102 NA PeJP NA NA +PJ102370 GTTEMMHR C37H63N13O13S2 961.411 NA PeJP NA NA +PJ102371 SSSDHHHR C37H55N17O14 961.4115 NA PeJP NA NA +PJ102372 SPQQMWW C45H59N11O11S 961.4116 NA PeJP NA NA +PJ102373 TTTMHWW C45H59N11O11S 961.4117 NA PeJP NA NA +PJ102374 NFFYWW C53H55N9O9 961.4123 NA PeJP NA NA +PJ102375 GGMMHHHR C38H59N17O9S2 961.4124 NA PeJP NA NA +PJ102376 SSPTQQEW C41H59N11O16 961.4141 NA PeJP NA NA +PJ102377 VDEEERW C41H59N11O16 961.4142 NA PeJP NA NA +PJ102378 GCNNNERR C34H59N17O14S 961.4149 NA PeJP NA NA +PJ102379 TKEMMHW C42H63N11O11S2 961.415 NA PeJP NA NA +PJ102380 GGGGGPLMMW C42H63N11O11S2 961.4151 NA PeJP NA NA +PJ102381 PDDHHRW C42H55N15O12 961.4155 NA PeJP NA NA +PJ102382 GQMFFFW C50H59N9O9S 961.4157 NA PeJP NA NA +PJ102383 APTEEEMR C38H63N11O16S 961.4175 NA PeJP NA NA +PJ102384 GGGGPTKEEM C38H63N11O16S 961.4176 NA PeJP NA NA +PJ102385 ALEEEWW C46H59N9O14 961.4182 NA PeJP NA NA +PJ102386 SCCCKKKY C39H67N11O11S3 961.4184 NA PeJP NA NA +PJ102387 NNNQMRW C39H59N15O12S 961.4189 NA PeJP NA NA +PJ102388 GKMMFYW C47H63N9O9S2 961.4191 NA PeJP NA NA +PJ102389 NDRWWW C47H55N13O10 961.4195 NA PeJP NA NA +PJ102390 GSNDEERR C35H59N15O17 961.4214 NA PeJP NA NA +PJ102391 TQKEMYY C43H63N9O14S 961.4215 NA PeJP NA NA +PJ102392 GPTLEEMW C43H63N9O14S 961.4216 NA PeJP NA NA +PJ102393 KYYYYY C51H59N7O12 961.4222 NA PeJP NA NA +PJ102394 GPCNEMRR C36H63N15O12S2 961.4223 NA PeJP NA NA +PJ102395 GPPLMMMW C44H67N9O9S3 961.4224 NA PeJP NA NA +PJ102396 GNNNNHHR C36H55N19O13 961.4227 NA PeJP NA NA +PJ102397 GGGGGGGGGHHR C36H55N19O13 961.4228 NA PeJP NA NA +PJ102398 SPCQRWW C44H59N13O10S 961.4229 NA PeJP NA NA +PJ102399 AQWWWW C52H55N11O8 961.4235 NA PeJP NA NA +PJ102400 GAAWWWW C52H55N11O8 961.4236 NA PeJP NA NA +PJ102401 SSTTTTTTY C39H63N9O19 961.424 NA PeJP NA NA +PJ102402 GLKEEEEE C39H63N9O19 961.4241 NA PeJP NA NA +PJ102403 STTTKMMY C40H67N9O14S2 961.4249 NA PeJP NA NA +PJ102404 SQQEERW C40H59N13O15 961.4254 NA PeJP NA NA +PJ102405 PLEMFYY C48H63N7O12S 961.4256 NA PeJP NA NA +PJ102406 KKMMMMY C41H71N9O9S4 961.4258 NA PeJP NA NA +PJ102407 TTMMHRW C41H63N13O10S2 961.4263 NA PeJP NA NA +PJ102408 NDHHHFR C41H55N17O11 961.4267 NA PeJP NA NA +PJ102409 GGDHHHFR C41H55N17O11 961.4268 NA PeJP NA NA +PJ102410 GPCKWWW C49H59N11O8S 961.4269 NA PeJP NA NA +PJ102411 STTTEMHR C37H63N13O15S 961.4288 NA PeJP NA NA +PJ102412 LLEMMYY C45H67N7O12S2 961.4289 NA PeJP NA NA +PJ102413 GQKEEWW C45H59N11O13 961.4294 NA PeJP NA NA +PJ102414 KEMMMHR C38H67N13O10S3 961.4296 NA PeJP NA NA +PJ102415 GAPPCCKMR C38H67N13O10S3 961.4297 NA PeJP NA NA +PJ102416 CNNNRRW C38H59N17O11S 961.4301 NA PeJP NA NA +PJ102417 LMMHHFF C46H63N11O8S2 961.4303 NA PeJP NA NA +PJ102418 AQHHHFW C46H55N15O9 961.4308 NA PeJP NA NA +PJ102419 SSNNNDRR C34H59N17O16 961.4326 NA PeJP NA NA +PJ102420 SSTTLMHW C42H63N11O13S 961.4328 NA PeJP NA NA +PJ102421 PPVDYWW C50H59N9O11 961.4334 NA PeJP NA NA +PJ102422 GPPPDFFW C50H59N9O11 961.4335 NA PeJP NA NA +PJ102423 VKMMMHW C43H67N11O8S3 961.4337 NA PeJP NA NA +PJ102424 SKMHHHW C43H59N15O9S 961.4341 NA PeJP NA NA +PJ102425 GTLEEEER C38H63N11O18 961.4353 NA PeJP NA NA +PJ102426 GPLEEMMR C39H67N11O13S2 961.4362 NA PeJP NA NA +PJ102427 SNDERRW C39H59N15O14 961.4366 NA PeJP NA NA +PJ102428 GGGGGGGTTRW C39H59N15O14 961.4367 NA PeJP NA NA +PJ102429 PTLEMWW C47H63N9O11S 961.4368 NA PeJP NA NA +PJ102430 PCNMRRW C40H63N15O9S2 961.4375 NA PeJP NA NA +PJ102431 MHFRWW C48H59N13O7S 961.4382 NA PeJP NA NA +PJ102432 LKEEEEW C43H63N9O16 961.4393 NA PeJP NA NA +PJ102433 NQEEMRR C36H63N15O14S 961.44 NA PeJP NA NA +PJ102434 GPVLEMMW C44H67N9O11S2 961.4402 NA PeJP NA NA +PJ102435 ASQERWW C44H59N13O12 961.4406 NA PeJP NA NA +PJ102436 GTQERWW C44H59N13O12 961.4407 NA PeJP NA NA +PJ102437 TMMMHRR C37H67N15O9S3 961.4409 NA PeJP NA NA +PJ102438 SPLKEEEM C40H67N9O16S 961.4427 NA PeJP NA NA +PJ102439 VLEEFYY C48H63N7O14 961.4433 NA PeJP NA NA +PJ102440 PPVKEMMM C41H71N9O11S3 961.4436 NA PeJP NA NA +PJ102441 VNQEMRW C41H63N13O12S 961.444 NA PeJP NA NA +PJ102442 GGGGGGGVKMW C41H63N13O12S 961.4441 NA PeJP NA NA +PJ102443 QKEWWW C49H59N11O10 961.4447 NA PeJP NA NA +PJ102444 GSQKEEER C37H63N13O17 961.4465 NA PeJP NA NA +PJ102445 GGGGGGSKKEE C37H63N13O17 961.4466 NA PeJP NA NA +PJ102446 SSTLMMHR C38H67N13O12S2 961.4474 NA PeJP NA NA +PJ102447 SSTTHHHR C38H59N17O13 961.4479 NA PeJP NA NA +PJ102448 SPQKMWW C46H63N11O10S 961.448 NA PeJP NA NA +PJ102449 GGPTKMWW C46H63N11O10S 961.4481 NA PeJP NA NA +PJ102450 AHFFFFF C54H59N9O8 961.4487 NA PeJP NA NA +PJ102451 NKKEEEW C42H63N11O15 961.4505 NA PeJP NA NA +PJ102452 TLEEERW C42H63N11O15 961.4506 NA PeJP NA NA +PJ102453 NDDMRRR C35H63N17O13S 961.4512 NA PeJP NA NA +PJ102454 GGDDMRRR C35H63N17O13S 961.4513 NA PeJP NA NA +PJ102455 PLEMMRW C43H67N11O10S2 961.4514 NA PeJP NA NA +PJ102456 GSDRRWW C43H59N15O11 961.4519 NA PeJP NA NA +PJ102457 PPVMFWW C51H63N9O8S 961.4521 NA PeJP NA NA +PJ102458 GVLEEEMR C39H67N11O15S 961.4539 NA PeJP NA NA +MJ098785 Antibiotic WS 7622; Antibiotic WS 7622A C47H63N9O13 961.454533 NA MeJP NA NA +PJ102459 SLLEEWW C47H63N9O13 961.4546 NA PeJP NA NA +PJ102460 SPPLMMMR C40H71N11O10S3 961.4548 NA PeJP NA NA +PJ102461 CNQQKRW C40H63N15O11S 961.4552 NA PeJP NA NA +PJ102462 GQEMRRW C40H63N15O11S 961.4553 NA PeJP NA NA +PJ102463 PVLMMWW C48H67N9O8S2 961.4554 NA PeJP NA NA +PJ102464 TQRWWW C48H59N13O9 961.4559 NA PeJP NA NA +PJ102465 SSSSSSKHR C36H63N15O16 961.4577 NA PeJP NA NA +PJ102466 GSTQEERR C36H63N15O16 961.4578 NA PeJP NA NA +PJ102467 SSPLLEMW C44H67N9O13S 961.4579 NA PeJP NA NA +PJ102468 AALLEEMW C44H67N9O13S 961.458 NA PeJP NA NA +PJ102469 PPLFYYY C52H63N7O11 961.4586 NA PeJP NA NA +PJ102470 GGGGPCCKKR C37H67N15O11S2 961.4587 NA PeJP NA NA +PJ102471 KKMMMFF C45H71N9O8S3 961.4588 NA PeJP NA NA +PJ102472 NNEHHRR C37H59N19O12 961.4591 NA PeJP NA NA +PJ102473 GVQMRWW C45H63N13O9S 961.4593 NA PeJP NA NA +PJ102474 AKWWWW C53H59N11O7 961.4599 NA PeJP NA NA +PJ102475 TTLLQEEE C40H67N9O18 961.4604 NA PeJP NA NA +PJ102476 SVLKEEEE C40H67N9O18 961.4605 NA PeJP NA NA +PJ102477 PVVKEEMM C41H71N9O13S2 961.4613 NA PeJP NA NA +PJ102478 SQKEERW C41H63N13O14 961.4618 NA PeJP NA NA +PJ102479 PLLMYYY C49H67N7O11S 961.462 NA PeJP NA NA +PJ102480 GSCNNRRR C34H63N19O12S 961.4625 NA PeJP NA NA +PJ102481 PNKMMRW C42H67N13O9S2 961.4627 NA PeJP NA NA +PJ102482 AQQHHRW C42H59N17O10 961.4631 NA PeJP NA NA +PJ102483 ASLQQEMR C38H67N13O14S 961.4651 NA PeJP NA NA +PJ102484 LEEEMRR C38H67N13O14S 961.4652 NA PeJP NA NA +PJ102485 GKKEEWW C46H63N11O12 961.4658 NA PeJP NA NA +PJ102486 PPCCKKMR C39H71N13O9S3 961.466 NA PeJP NA NA +PJ102487 GCERRRW C39H63N17O10S 961.4665 NA PeJP NA NA +PJ102488 AKHHHFW C47H59N15O8 961.4671 NA PeJP NA NA +PJ102489 GSSDERRR C35H63N17O15 961.469 NA PeJP NA NA +PJ102490 VLEEMRW C43H67N11O12S 961.4692 NA PeJP NA NA +PJ102491 PPTLYWW C51H63N9O10 961.4698 NA PeJP NA NA +PJ102492 GSPCMRRR C36H67N17O10S2 961.4699 NA PeJP NA NA +PJ102493 QMRRWW C44H63N15O8S 961.4705 NA PeJP NA NA +PJ102494 SSLLEEER C39H67N11O17 961.4717 NA PeJP NA NA +PJ102495 TTTLKMMH C40H71N11O12S2 961.4725 NA PeJP NA NA +PJ102496 SPVLEMMR C40H71N11O12S2 961.4726 NA PeJP NA NA +PJ102497 STQERRW C40H63N15O13 961.473 NA PeJP NA NA +PJ102498 GGGGGGGGALFR C40H63N15O13 961.4731 NA PeJP NA NA +PJ102499 VVLEMWW C48H67N9O10S 961.4732 NA PeJP NA NA +PJ102500 CLMHFRR C41H67N15O8S2 961.4739 NA PeJP NA NA +PJ102501 GNHHRRW C41H59N19O9 961.4744 NA PeJP NA NA +PJ102502 ATTLLEEW C44H67N9O15 961.4757 NA PeJP NA NA +PJ102503 NKEEMRR C37H67N15O13S 961.4764 NA PeJP NA NA +PJ102504 APTLLMMW C45H71N9O10S2 961.4766 NA PeJP NA NA +PJ102505 GTKERWW C45H63N13O11 961.477 NA PeJP NA NA +PJ102506 GGGGSKKWW C45H63N13O11 961.4771 NA PeJP NA NA +PJ102507 ALLKEEEM C41H71N9O15S 961.4791 NA PeJP NA NA +PJ102508 VLLEYYY C49H67N7O13 961.4797 NA PeJP NA NA +PJ102509 PVLLQMMM C42H75N9O10S3 961.4799 NA PeJP NA NA +PJ102510 GGPLLLMMM C42H75N9O10S3 961.48 NA PeJP NA NA +PJ102511 VNKEMRW C42H67N13O11S 961.4804 NA PeJP NA NA +PJ102512 KKEWWW C50H63N11O9 961.4811 NA PeJP NA NA +PJ102513 CRRRWW C43H63N17O7S 961.4818 NA PeJP NA NA +PJ102514 GSKKEEER C38H67N13O16 961.4829 NA PeJP NA NA +PJ102515 GPDKKMMR C39H71N13O11S2 961.4838 NA PeJP NA NA +PJ102516 NNQQFRR C39H63N17O12 961.4842 NA PeJP NA NA +PJ102517 SSDRRRW C39H63N17O12 961.4843 NA PeJP NA NA +PJ102518 SPKKMWW C47H67N11O9S 961.4844 NA PeJP NA NA +PJ102519 DKKKEEW C43H67N11O14 961.4869 NA PeJP NA NA +PJ102520 AAAAAAPKEY C43H67N11O14 961.487 NA PeJP NA NA +PJ102521 SQEMRRR C36H67N17O12S 961.4876 NA PeJP NA NA +PJ102522 AAPKKMMW C44H71N11O9S2 961.4878 NA PeJP NA NA +PJ102523 GTTRRWW C44H63N15O10 961.4883 NA PeJP NA NA +PJ102524 ATLLEEMR C40H71N11O14S 961.4903 NA PeJP NA NA +PJ102525 PTKKYYY C48H67N9O12 961.4909 NA PeJP NA NA +PJ102526 AAPLLEYW C48H67N9O12 961.491 NA PeJP NA NA +PJ102527 APLLMMMR C41H75N11O9S3 961.4912 NA PeJP NA NA +PJ102528 ADKMRRW C41H67N15O10S 961.4916 NA PeJP NA NA +PJ102529 GKEMRRW C41H67N15O10S 961.4917 NA PeJP NA NA +PJ102530 TKRWWW C49H63N13O8 961.4923 NA PeJP NA NA +PJ102531 ASSKEERR C37H67N15O15 961.4941 NA PeJP NA NA +PJ102532 GSTKEERR C37H67N15O15 961.4942 NA PeJP NA NA +PJ102533 GTLLLEMW C45H71N9O12S 961.4943 NA PeJP NA NA +3718 NA PNGLHTRPA 961.4949 ACE inhibitor Inhouse_peptide NA peptide +PJ102534 PLLFFYY C53H67N7O10 961.495 NA PeJP NA NA +PJ102535 NDKHHRR C38H63N19O11 961.4955 NA PeJP NA NA +PJ102536 GVKMRWW C46H67N13O8S 961.4957 NA PeJP NA NA +PJ102537 TTLLKEEE C41H71N9O17 961.4968 NA PeJP NA NA +PJ102538 PTLLKEMM C42H75N9O12S2 961.4977 NA PeJP NA NA +PJ102539 SKKEERW C42H67N13O13 961.4982 NA PeJP NA NA +PJ102540 LLLMFYY C50H71N7O10S 961.4983 NA PeJP NA NA +PJ102541 SCERRRR C35H67N19O11S 961.4989 NA PeJP NA NA +PJ102542 LKMMHFR C43H71N13O8S2 961.499 NA PeJP NA NA +PJ102543 PPNHRRW C43H63N17O9 961.4995 NA PeJP NA NA +PJ102544 SSPKKEMR C39H71N13O13S 961.5015 NA PeJP NA NA +PJ102545 AAKKEEMR C39H71N13O13S 961.5016 NA PeJP NA NA +PJ102546 SVKKEWW C47H67N11O11 961.5022 NA PeJP NA NA +PJ102547 GTMRRRW C40H67N17O9S 961.5029 NA PeJP NA NA +PJ102548 GSTTERRR C36H67N17O14 961.5054 NA PeJP NA NA +PJ102549 LQKKEMW C44H71N11O11S 961.5056 NA PeJP NA NA +PJ102550 PVVLYWW C52H67N9O9 961.5062 NA PeJP NA NA +PJ102551 VNMMRRR C37H71N17O9S2 961.5063 NA PeJP NA NA +PJ102552 SNHHRRR C37H63N21O10 961.5067 NA PeJP NA NA +PJ102553 KMRRWW C45H67N15O7S 961.5069 NA PeJP NA NA +PJ102554 TTTLLEER C40H71N11O16 961.5081 NA PeJP NA NA +PJ102555 GLLLEMMR C41H75N11O11S2 961.5089 NA PeJP NA NA +PJ102556 GGGGVLLKMM C41H75N11O11S2 961.509 NA PeJP NA NA +PJ102557 STKERRW C41H67N15O12 961.5094 NA PeJP NA NA +PJ102558 TLLLMWW C49H71N9O9S 961.5096 NA PeJP NA NA +PJ102559 STTLLLEW C45H71N9O14 961.5121 NA PeJP NA NA +PJ102560 DKKEMRR C38H71N15O12S 961.5128 NA PeJP NA NA +PJ102561 GVLLLMMW C46H75N9O9S2 961.513 NA PeJP NA NA +PJ102562 SSLKRWW C46H67N13O10 961.5134 NA PeJP NA NA +PJ102563 SSPTTILLM C42H75N9O14S 961.5154 NA PeJP NA NA +PJ102564 SLLLKEEM C42H75N9O14S 961.5155 NA PeJP NA NA +PJ102565 PVLLKMMM C43H79N9O9S3 961.5163 NA PeJP NA NA +PJ102566 VDKKMRW C43H71N13O10S 961.5168 NA PeJP NA NA +PJ102567 VVKHFFW C51H67N11O8 961.5174 NA PeJP NA NA +PJ102568 APKKFWW C51H67N11O8 961.5175 NA PeJP NA NA +PJ102569 ATTKKEER C39H71N13O15 961.5193 NA PeJP NA NA +PJ102570 APTKKMMR C40H75N13O10S2 961.5202 NA PeJP NA NA +PJ102571 STTRRRW C40H67N17O11 961.5206 NA PeJP NA NA +PJ102572 GAAEFRRR C40H67N17O11 961.5207 NA PeJP NA NA +PJ102573 ALKKMWW C48H71N11O8S 961.5208 NA PeJP NA NA +PJ102574 GTTLKKEW C44H71N11O13 961.5233 NA PeJP NA NA +PJ102575 SKEMRRR C37H71N17O11S 961.524 NA PeJP NA NA +PJ102576 LLLMMRW C45H75N11O8S2 961.5242 NA PeJP NA NA +MJ098786 Disodium pentaiodobismuthate(2-); Tetrahydrate BiH8I5Na2O4 961.524523 NA MeJP NA NA +PJ102577 GPKRRYW C45H67N15O9 961.5247 NA PeJP NA NA +PJ102578 STLLLEMR C41H75N11O13S 961.5267 NA PeJP NA NA +PJ102579 GPTLLLYW C49H71N9O11 961.5273 NA PeJP NA NA +PJ102580 AALLLEFW C49H71N9O11 961.5274 NA PeJP NA NA +PJ102581 SVKMRRW C42H71N15O9S 961.528 NA PeJP NA NA +PJ102582 SSSLKERR C38H71N15O14 961.5305 NA PeJP NA NA +PJ102583 SSLLLLMW C46H75N9O11S 961.5307 NA PeJP NA NA +PJ102584 LLLFFFY C54H71N7O9 961.5314 NA PeJP NA NA +PJ102585 GDFRRRR C39H67N19O10 961.5319 NA PeJP NA NA +PJ102586 SSSTLLLLE C42H75N9O16 961.5332 NA PeJP NA NA +PJ102587 VVLLKEMM C43H79N9O11S2 961.5341 NA PeJP NA NA +PJ102588 APTLNKRY C43H71N13O12 961.5345 NA PeJP NA NA +PJ102589 GTTTLKRW C43H71N13O12 961.5346 NA PeJP NA NA +PJ102590 STMRRRR C36H71N19O10S 961.5352 NA PeJP NA NA +PJ102591 AAFRRRW C44H67N17O8 961.5359 NA PeJP NA NA +PJ102592 GTLKKEMR C40H75N13O12S 961.5379 NA PeJP NA NA +PJ102593 TTLKKWW C48H71N11O10 961.5386 NA PeJP NA NA +PJ102594 PCKFRRR C41H71N17O8S 961.5393 NA PeJP NA NA +PJ102595 SSSTLRRR C37H71N17O13 961.5418 NA PeJP NA NA +PJ102596 LKKKEMW C45H75N11O10S 961.542 NA PeJP NA NA +PJ102597 VVLLFWW C53H71N9O8 961.5426 NA PeJP NA NA +PJ102598 VTTKKKEE C41H75N11O15 961.5444 NA PeJP NA NA +PJ102599 STLKKKEE C41H75N11O15 961.5445 NA PeJP NA NA +PJ102600 SVLLLMMR C42H79N11O10S2 961.5453 NA PeJP NA NA +PJ102601 PDKKRRY C42H71N15O11 961.5458 NA PeJP NA NA +PJ102602 SPLLLKEY C46H75N9O13 961.5485 NA PeJP NA NA +PJ102603 GTTLKMRR C39H75N15O11S 961.5492 NA PeJP NA NA +PJ102604 PTKKFRW C47H71N13O9 961.5498 NA PeJP NA NA +PJ102605 GTTTLLLLM C43H79N9O13S 961.5518 NA PeJP NA NA +PJ102606 TLKKMRW C44H75N13O9S 961.5532 NA PeJP NA NA +PJ102607 STTLKKER C40H75N13O14 961.5557 NA PeJP NA NA +PJ102608 GVLKKMMR C41H79N13O9S2 961.5566 NA PeJP NA NA +PJ102609 SPKRRRY C41H71N17O10 961.557 NA PeJP NA NA +PJ102610 SSTLLKKW C45H75N11O12 961.5597 NA PeJP NA NA +PJ102611 GSCKKKRR C38H75N17O10S 961.5604 NA PeJP NA NA +PJ102612 VKKKHHW C46H71N15O8 961.561 NA PeJP NA NA +PJ102613 GLKFRRW C46H71N15O8 961.5611 NA PeJP NA NA +PJ102614 SVLKKKEM C42H79N11O12S 961.5631 NA PeJP NA NA +PJ102615 AALLLLYW C50H75N9O10 961.5637 NA PeJP NA NA +PJ102616 PKKMFRR C43H75N15O8S 961.5644 NA PeJP NA NA +PJ102617 STTTLKRR C39H75N15O13 961.5669 NA PeJP NA NA +PJ102618 PVVLLKMY C47H79N9O10S 961.5671 NA PeJP NA NA +PJ102619 LKKMMRR C40H79N15O8S2 961.5678 NA PeJP NA NA +PJ102620 GVRRRRY C40H71N19O9 961.5683 NA PeJP NA NA +PJ102621 STTTTLLLL C43H79N9O15 961.5696 NA PeJP NA NA +PJ102622 TLLLLKMM C44H83N9O10S2 961.5705 NA PeJP NA NA +PJ102623 GSTKKKKW C44H75N13O11 961.5709 NA PeJP NA NA +PJ102624 GGGVLLKRY C44H75N13O11 961.571 NA PeJP NA NA +PJ102625 SSLLKKMR C41H79N13O11S 961.5743 NA PeJP NA NA +PJ102626 VLLLRYW C49H75N11O9 961.575 NA PeJP NA NA +PJ102627 GLLLLMFR C46H79N11O9S 961.5783 NA PeJP NA NA +PJ102628 RRRRRY C39H71N21O8 961.5795 NA PeJP NA NA +PJ102629 SSSSLLLKK C42H79N11O14 961.5808 NA PeJP NA NA +PJ102630 ALLKKKMM C43H83N11O9S2 961.5817 NA PeJP NA NA +PJ102631 VLQKRRY C43H75N15O10 961.5822 NA PeJP NA NA +PJ102632 ALLLLKEY C47H79N9O12 961.5849 NA PeJP NA NA +PJ102633 ATCKKKKR C40H79N15O10S 961.5855 NA PeJP NA NA +PJ102634 GSKKKKMR C40H79N15O10S 961.5856 NA PeJP NA NA +PJ102635 VVKKFRW C48H75N13O8 961.5862 NA PeJP NA NA +PJ102636 SSKKKKKE C41H79N13O13 961.5921 NA PeJP NA NA +PJ102637 ALKRRRY C42H75N17O9 961.5934 NA PeJP NA NA +PJ102638 ATLLLLRY C46H79N11O11 961.5961 NA PeJP NA NA +PJ102639 TTLLKKKM C43H83N11O11S 961.5995 NA PeJP NA NA +PJ102640 PVVLLKFF C51H79N9O9 961.6001 NA PeJP NA NA +PJ102641 SSTKKKKR C40H79N15O12 961.6033 NA PeJP NA NA +PJ102642 VVLLLKMF C48H83N9O9S 961.6035 NA PeJP NA NA +PJ102643 PLKHRRR C41H75N19O8 961.6047 NA PeJP NA NA +PJ102644 AALLKKRY C45H79N13O10 961.6073 NA PeJP NA NA +PJ102645 ATKKKKKM C42H83N13O10S 961.6107 NA PeJP NA NA +PJ102646 LLKKKFW C50H79N11O8 961.6113 NA PeJP NA NA +PJ102647 VLKKRRY C44H79N15O9 961.6186 NA PeJP NA NA +PJ102648 SLLLLLKY C48H83N9O11 961.6212 NA PeJP NA NA +PJ102649 SPPPLLLLL C48H83N9O11 961.6213 NA PeJP NA NA +PJ102650 TTTKKKKK C42H83N13O12 961.6285 NA PeJP NA NA +PJ102651 GLLLKKKY C47H83N11O10 961.6325 NA PeJP NA NA +PJ102652 VVLLLLHR C46H83N13O9 961.6437 NA PeJP NA NA +PJ102653 KKKKKFR C45H83N15O8 961.6549 NA PeJP NA NA +PJ102654 APPLLLLLL C49H87N9O10 961.6576 NA PeJP NA NA +PJ102655 LLLLLLKH C48H87N11O9 961.6689 NA PeJP NA NA +5515 styelin A GXFGKAFXSVSNFAKKHKTA 962.0064 MH2+ Inhouse_peptide NA peptide +MJ098787 Grandinin; 1-Deglycosyl, 1?-carboxy C42H26O27 962.066145 NA MeJP NA NA +PJ102656 PCCCCCCND C31H50N10O13S6 962.1884 NA PeJP NA NA +PJ102657 CCCCCCYY C36H50N8O11S6 962.1924 NA PeJP NA NA +PJ102658 GCCCCNDDM C31H50N10O15S5 962.2061 NA PeJP NA NA +PJ102659 SCCCCCNNN C30H50N12O14S5 962.2173 NA PeJP NA NA +PJ102660 GGGGGGSCCCCC C30H50N12O14S5 962.2174 NA PeJP NA NA +PJ102661 CCCCCNEW C35H50N10O12S5 962.2214 NA PeJP NA NA +PJ102662 SSCCCCNDE C31H50N10O17S4 962.2239 NA PeJP NA NA +PJ102663 SPCCCCCNM C32H54N10O12S6 962.2247 NA PeJP NA NA +PJ102664 CCDDDDDY C35H46N8O20S2 962.227 NA PeJP NA NA +PJ102665 CCDDDMMM C33H54N8O15S5 962.2313 NA PeJP NA NA +PJ102666 GCCCCCWW C39H50N10O9S5 962.2366 NA PeJP NA NA +PJ102667 GSSCCCCDW C35H50N10O14S4 962.2391 NA PeJP NA NA +PJ102668 GSSSSCCCDD C31H50N10O19S3 962.2416 NA PeJP NA NA +PJ102669 GSCCCNDMM C32H54N10O14S5 962.2425 NA PeJP NA NA +PJ102670 CCDDDDMF C36H50N8O17S3 962.2457 NA PeJP NA NA +PJ102671 CCCDDMHH C34H50N12O13S4 962.2504 NA PeJP NA NA +PJ102672 GSCCCCCER C31H54N12O13S5 962.2537 NA PeJP NA NA +PJ102673 CDDDDDEH C34H46N10O21S 962.256 NA PeJP NA NA +PJ102674 CCCNNDEY C35H50N10O16S3 962.2569 NA PeJP NA NA +PJ102675 SCCCCQMW C36H54N10O11S5 962.2577 NA PeJP NA NA +PJ102676 CCCCCDKW C36H54N10O11S5 962.2578 NA PeJP NA NA +PJ102677 SSSCCCNEM C32H54N10O16S4 962.2602 NA PeJP NA NA +PJ102678 GGSSSCCCEM C32H54N10O16S4 962.2603 NA PeJP NA NA +PJ102679 CCCNQMMM C33H58N10O11S6 962.2611 NA PeJP NA NA +PJ102680 GSCCCCNHH C33H50N14O12S4 962.2616 NA PeJP NA NA +PJ102681 SCDDDDMY C36H50N8O19S2 962.2634 NA PeJP NA NA +PJ102682 PCCCDEMY C37H54N8O14S4 962.2643 NA PeJP NA NA +PJ102683 SCDDMMMM C34H58N8O14S5 962.2676 NA PeJP NA NA +PJ102684 GPCCCNDDH C34H50N12O15S3 962.2681 NA PeJP NA NA +PJ102685 SCCCCCRW C35H54N12O10S5 962.269 NA PeJP NA NA +MJ098788 Isoscoparin; 2''-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl], 4'-O-?-D-glucopyranoside C44H50O24 962.269202 NA MeJP NA NA +MJ098789 Isovitexin; 7-O-[4-Hydroxy-3,5-dimethoxy-E-cinnamoyl-(?6)-glucopyranoside], 4'-O-?-D-glucopyranoside C44H50O24 962.269202 NA MeJP NA NA +MJ098790 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[(3,4-Dihydroxy-E-cinnamoyl)-(?4)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside C44H51O24(+) 962.269202 NA MeJP NA NA +PJ102686 SSSCCCCDR C31H54N12O15S4 962.2715 NA PeJP NA NA +PJ102687 GCCCNDYW C39H50N10O13S3 962.2721 NA PeJP NA NA +PJ102688 CCCCNMMR C32H58N12O10S6 962.2724 NA PeJP NA NA +PJ102689 GSSCCNDDY C35H50N10O18S2 962.2746 NA PeJP NA NA +PJ102690 GSSSCCCMW C36H54N10O13S4 962.2755 NA PeJP NA NA +PJ102691 GSSSSSCCDM C32H54N10O18S3 962.278 NA PeJP NA NA +PJ102692 GSSCCNMMM C33H58N10O13S5 962.2789 NA PeJP NA NA +PJ102693 GCDDEMMY C37H54N8O16S3 962.282 NA PeJP NA NA +PJ102694 PCCCEMMF C38H58N8O11S5 962.2829 NA PeJP NA NA +PJ102695 CNNDDDMH C34H50N12O17S2 962.2859 NA PeJP NA NA +PJ102696 GCEMMMMM C35H62N8O11S6 962.2863 NA PeJP NA NA +PJ102697 CCCCNDFR C35H54N12O12S4 962.2867 NA PeJP NA NA +PJ102698 GGCCCCDFR C35H54N12O12S4 962.2868 NA PeJP NA NA +PJ102699 GSTCCCCMR C32H58N12O12S5 962.2901 NA PeJP NA NA +PJ102700 GCCCNMFW C40H54N10O10S4 962.2908 NA PeJP NA NA +PJ102701 SDDDDEMH C35H50N10O20S 962.2924 NA PeJP NA NA +PJ102702 SSSSTCCCW C36H54N10O15S3 962.2933 NA PeJP NA NA +PJ102703 SCCCCKMW C37H58N10O10S5 962.2941 NA PeJP NA NA +PJ102704 SSSSSSSCCE C32H54N10O20S2 962.2957 NA PeJP NA NA +PJ102705 GCDDDEFY C40H50N8O18S 962.2964 NA PeJP NA NA +PJ102706 SSSSCCQMM C33H58N10O15S4 962.2966 NA PeJP NA NA +PJ102707 GSCCNNNDH C33H50N14O16S2 962.2971 NA PeJP NA NA +PJ102708 CDDMMYW C41H54N8O13S3 962.2973 NA PeJP NA NA +PJ102709 CCCNKMMM C34H62N10O10S6 962.2975 NA PeJP NA NA +PJ102710 PDDDDEEE C36H50N8O23 962.2989 NA PeJP NA NA +PJ102711 SSDDDMMY C37H54N8O18S2 962.2998 NA PeJP NA NA +PJ102712 SPCCEMMY C38H58N8O13S4 962.3007 NA PeJP NA NA +PJ102713 GCCNDEHW C38H50N12O14S2 962.3011 NA PeJP NA NA +PJ102714 CMMMMMW C39H62N8O8S6 962.3015 NA PeJP NA NA +PJ102715 GSSCNDDEH C34H50N12O19S 962.3036 NA PeJP NA NA +PJ102716 GGGGGPCNDDD C34H50N12O19S 962.3037 NA PeJP NA NA +PJ102717 SSDMMMMM C35H62N8O13S5 962.304 NA PeJP NA NA +PJ102718 SCCCNDRY C35H54N12O14S3 962.3045 NA PeJP NA NA +PJ102719 ACCMMMHH C36H58N12O9S5 962.3054 NA PeJP NA NA +PJ102720 SCCCHHHH C36H50N16O10S3 962.3058 NA PeJP NA NA +PJ102721 GCNNDDYY C39H50N10O17S 962.3076 NA PeJP NA NA +PJ102722 GGGCNDDYY C39H50N10O17S 962.3077 NA PeJP NA NA +PJ102723 SSSSCCCMR C32H58N12O14S4 962.3079 NA PeJP NA NA +PJ102724 GSCCNMYW C40H54N10O12S3 962.3085 NA PeJP NA NA +PJ102725 GSPNDDDDE C35H50N10O22 962.3102 NA PeJP NA NA +PJ102726 GSSSCNDMY C36H54N10O17S2 962.311 NA PeJP NA NA +PJ102727 CDDDFYW C44H50N8O15S 962.3117 NA PeJP NA NA +PJ102728 GCNNMMMY C37H58N10O12S4 962.3119 NA PeJP NA NA +PJ102729 PCCDDHHH C37H50N14O13S2 962.3124 NA PeJP NA NA +PJ102730 GSDDDEYY C40H50N8O20 962.3142 NA PeJP NA NA +PJ102731 GSSSSSSCMM C33H58N10O17S3 962.3144 NA PeJP NA NA +PJ102732 GPCDDMYY C41H54N8O15S2 962.315 NA PeJP NA NA +PJ102733 GCDDEMFF C41H54N8O15S2 962.3151 NA PeJP NA NA +PJ102734 GSTCCCKMM C34H62N10O12S5 962.3153 NA PeJP NA NA +PJ102735 CCNNNQMH C34H54N14O13S3 962.3157 NA PeJP NA NA +PJ102736 GGGGGGCCQMH C34H54N14O13S3 962.3158 NA PeJP NA NA +PJ102737 CDMMMFW C42H58N8O10S4 962.3159 NA PeJP NA NA +PJ102738 CCNDHWW C42H50N12O11S2 962.3164 NA PeJP NA NA +PJ102739 GSDEMMMY C38H58N8O15S3 962.3184 NA PeJP NA NA +PJ102740 SSCNDDHW C38H50N12O16S 962.3189 NA PeJP NA NA +PJ102741 GPCMMMMY C39H62N8O10S5 962.3193 NA PeJP NA NA +PJ102742 SPCCCQHW C39H54N12O11S3 962.3198 NA PeJP NA NA +PJ102743 SSSSNDDDH C34H50N12O21 962.3214 NA PeJP NA NA +PJ102744 SNNDDMMH C35H54N12O16S2 962.3223 NA PeJP NA NA +PJ102745 GTMMMMMM C36H66N8O10S6 962.3227 NA PeJP NA NA +PJ102746 GCCCQMRY C36H58N12O11S4 962.3231 NA PeJP NA NA +PJ102747 GCCCHFFF C44H54N10O9S3 962.3238 NA PeJP NA NA +PJ102748 SPNDDDDW C39H50N10O19 962.3254 NA PeJP NA NA +PJ102749 SSSCCQYW C40H54N10O14S2 962.3263 NA PeJP NA NA +PJ102750 CCCNNNHR C33H54N16O12S3 962.327 NA PeJP NA NA +PJ102751 ACCCCKFW C41H58N10O9S4 962.3272 NA PeJP NA NA +PJ102752 SSSSSCNEY C36H54N10O19S 962.3288 NA PeJP NA NA +PJ102753 SDDDYYW C44H50N8O17 962.3294 NA PeJP NA NA +PJ102754 SSCNQMMY C37H58N10O14S3 962.3296 NA PeJP NA NA +PJ102755 GGGGSTCMMY C37H58N10O14S3 962.3297 NA PeJP NA NA +PJ102756 GDDDMHHH C37H50N14O15S 962.3301 NA PeJP NA NA +PJ102757 PCCEYYW C45H54N8O12S2 962.3303 NA PeJP NA NA +PJ102758 SSSSSSSTCM C33H58N10O19S2 962.3321 NA PeJP NA NA +PJ102759 GSNNNNNDD C33H50N14O20 962.3326 NA PeJP NA NA +PJ102760 GGGGGGGGGSNDD C33H50N14O20 962.3327 NA PeJP NA NA +PJ102761 NDEEMYY C41H54N8O17S 962.3328 NA PeJP NA NA +PJ102762 SSSSCCKMM C34H62N10O14S4 962.333 NA PeJP NA NA +PJ102763 SCCNDEHR C34H54N14O15S2 962.3335 NA PeJP NA NA +PJ102764 SDMMMYW C42H58N8O12S3 962.3337 NA PeJP NA NA +PJ102765 GCCCCRRY C35H58N14O10S4 962.3344 NA PeJP NA NA +PJ102766 CCMHHFW C43H54N12O8S3 962.335 NA PeJP NA NA +PJ102767 SPDEEEEE C37H54N8O22 962.3353 NA PeJP NA NA +PJ102768 SSSEEMMY C38H58N8O17S2 962.3362 NA PeJP NA NA +PJ102769 GNNNDDEW C38H50N12O18 962.3366 NA PeJP NA NA +PJ102770 GGGNNDDEW C38H50N12O18 962.3367 NA PeJP NA NA +PJ102771 QEMMMMY C39H62N8O12S4 962.337 NA PeJP NA NA +PJ102772 GSCNEMHW C39H54N12O13S2 962.3375 NA PeJP NA NA +PJ102773 PCNDDDER C35H54N12O18S 962.34 NA PeJP NA NA +PJ102774 STTMMMMM C36H66N8O12S5 962.3404 NA PeJP NA NA +PJ102775 DDDEHFW C43H50N10O16 962.3407 NA PeJP NA NA +PJ102776 SSCCNMRY C36H58N12O13S3 962.3409 NA PeJP NA NA +PJ102777 SCNNDHHH C36H50N16O14S 962.3414 NA PeJP NA NA +PJ102778 GPPCCDWW C44H54N10O11S2 962.3415 NA PeJP NA NA +PJ102779 GSSSSSCYW C40H54N10O16S 962.344 NA PeJP NA NA +PJ102780 GGGPDDEMW C40H54N10O16S 962.3441 NA PeJP NA NA +PJ102781 GTCCCKYW C41H58N10O11S3 962.3449 NA PeJP NA NA +PJ102782 CDEHHHW C41H50N14O12S 962.3454 NA PeJP NA NA +PJ102783 GSSSSSSSDY C36H54N10O21 962.3465 NA PeJP NA NA +PJ102784 GGGGAEEEEE C36H54N10O21 962.3466 NA PeJP NA NA +PJ102785 GSSSSNMMY C37H58N10O16S2 962.3474 NA PeJP NA NA +PJ102786 SSDDEHHH C37H50N14O17 962.3479 NA PeJP NA NA +PJ102787 VCDDYYW C45H54N8O14S 962.348 NA PeJP NA NA +PJ102788 GDEMYYW C45H54N8O14S 962.3481 NA PeJP NA NA +PJ102789 CEMMMRY C38H62N10O11S4 962.3483 NA PeJP NA NA +PJ102790 GSCCDHRW C38H54N14O12S2 962.3488 NA PeJP NA NA +PJ102791 PPCCCFFF C46H58N8O9S3 962.3489 NA PeJP NA NA +PJ102792 GSSEEEYY C41H54N8O19 962.3506 NA PeJP NA NA +PJ102793 SSSSCNNQH C34H54N14O17S 962.3512 NA PeJP NA NA +PJ102794 GSSSCDDHR C34H54N14O17S 962.3513 NA PeJP NA NA +PJ102795 GSPDMMYY C42H58N8O14S2 962.3514 NA PeJP NA NA +PJ102796 NNNDDWW C42H50N12O15 962.3519 NA PeJP NA NA +PJ102797 GCNDMMHR C35H58N14O12S3 962.3521 NA PeJP NA NA +PJ102798 AMMMMYW C43H62N8O9S4 962.3523 NA PeJP NA NA +PJ102799 SCNMHWW C43H54N12O10S2 962.3528 NA PeJP NA NA +PJ102800 APEEEEEM C38H58N8O19S 962.3539 NA PeJP NA NA +PJ102801 GTTEMMMY C39H62N8O14S3 962.3548 NA PeJP NA NA +PJ102802 GPCDDDRW C39H54N12O15S 962.3553 NA PeJP NA NA +PJ102803 AAMMMMMF C40H66N8O9S5 962.3557 NA PeJP NA NA +PJ102804 NNMMMHW C40H58N12O10S3 962.3561 NA PeJP NA NA +PJ102805 GGGGMMMHW C40H58N12O10S3 962.3562 NA PeJP NA NA +PJ102806 GNDDEEER C35H54N12O20 962.3578 NA PeJP NA NA +PJ102807 GSSSTCCRY C36H58N12O15S2 962.3586 NA PeJP NA NA +PJ102808 GSPPCCDER C36H58N12O15S2 962.3587 NA PeJP NA NA +PJ102809 PNDDMWW C44H54N10O13S 962.3593 NA PeJP NA NA +PJ102810 GCCCKMRY C37H62N12O10S4 962.3595 NA PeJP NA NA +PJ102811 GCNQMHHH C37H54N16O11S2 962.36 NA PeJP NA NA +PJ102812 NQEEEEW C40H54N10O18 962.3618 NA PeJP NA NA +PJ102813 CNNNNNDR C33H54N16O16S 962.3625 NA PeJP NA NA +PJ102814 NNQMMYY C41H58N10O13S2 962.3626 NA PeJP NA NA +PJ102815 SSSCCKYW C41H58N10O13S2 962.3627 NA PeJP NA NA +PJ102816 DMYYWW C49H54N8O11S 962.3633 NA PeJP NA NA +PJ102817 GCCCEHRR C34H58N16O11S3 962.3634 NA PeJP NA NA +PJ102818 PMMMMHW C42H62N10O8S4 962.3635 NA PeJP NA NA +PJ102819 SSSSSSQMY C37H58N10O18S 962.3651 NA PeJP NA NA +PJ102820 GGSSSSSTMY C37H58N10O18S 962.3652 NA PeJP NA NA +PJ102821 SSEEYYW C45H54N8O16 962.3658 NA PeJP NA NA +PJ102822 SSCNKMMY C38H62N10O13S3 962.366 NA PeJP NA NA +PJ102823 GGGGPPEMMM C38H62N10O13S3 962.3661 NA PeJP NA NA +PJ102824 GNNNNNMW C38H54N14O14S 962.3665 NA PeJP NA NA +PJ102825 PTCMYYW C46H58N8O11S2 962.3667 NA PeJP NA NA +PJ102826 CCQMHRW C39H58N14O9S3 962.3674 NA PeJP NA NA +PJ102827 GDDDDDRR C34H54N14O19 962.369 NA PeJP NA NA +PJ102828 TQEEMYY C42H58N8O16S 962.3692 NA PeJP NA NA +PJ102829 EYYYYY C50H54N6O14 962.3698 NA PeJP NA NA +PJ102830 SSCNEMHR C35H58N14O14S2 962.3699 NA PeJP NA NA +PJ102831 TTMMMYW C43H62N8O11S3 962.37 NA PeJP NA NA +PJ102832 GAPMMMYY C43H62N8O11S3 962.3701 NA PeJP NA NA +PJ102833 GSSTCHWW C43H54N12O12S 962.3705 NA PeJP NA NA +PJ102834 GCCNHHHR C36H54N18O10S2 962.3712 NA PeJP NA NA +PJ102835 GLEEEEEE C38H58N8O21 962.3717 NA PeJP NA NA +PJ102836 STTTEMMY C39H62N8O16S2 962.3725 NA PeJP NA NA +PJ102837 PPTEEEMM C39H62N8O16S2 962.3726 NA PeJP NA NA +PJ102838 NDDEERW C39H54N12O17 962.373 NA PeJP NA NA +PJ102839 GGGGGGGTEEW C39H54N12O17 962.3731 NA PeJP NA NA +PJ102840 KEMMMMY C40H66N8O11S4 962.3734 NA PeJP NA NA +PJ102841 SPPCCDRW C40H58N12O12S2 962.3739 NA PeJP NA NA +PJ102842 APCDWWW C48H54N10O10S 962.3745 NA PeJP NA NA +PJ102843 GPCEWWW C48H54N10O10S 962.3746 NA PeJP NA NA +PJ102844 SSSSSSCRY C36H58N12O17S 962.3764 NA PeJP NA NA +PJ102845 VNDDEWW C44H54N10O15 962.377 NA PeJP NA NA +PJ102846 GQEEEWW C44H54N10O15 962.3771 NA PeJP NA NA +PJ102847 STCCCKRY C37H62N12O12S3 962.3773 NA PeJP NA NA +PJ102848 SSNNMHHH C37H54N16O13S 962.3777 NA PeJP NA NA +PJ102849 GGGGSSMHHH C37H54N16O13S 962.3778 NA PeJP NA NA +PJ102850 GSPPCMWW C45H58N10O10S2 962.3779 NA PeJP NA NA +PJ102851 CCCHRRW C38H58N16O8S3 962.3786 NA PeJP NA NA +PJ102852 GSPQEEMW C41H58N10O15S 962.3804 NA PeJP NA NA +PJ102853 GPDYYYW C49H54N8O13 962.3811 NA PeJP NA NA +PJ102854 VEMMMHW C42H62N10O10S3 962.3813 NA PeJP NA NA +PJ102855 SEMHHHW C42H54N14O11S 962.3818 NA PeJP NA NA +PJ102856 MMFYWW C50H58N8O8S2 962.3819 NA PeJP NA NA +PJ102857 GSSSSSSTTY C37H58N10O20 962.3829 NA PeJP NA NA +PJ102858 GSSSTCKMY C38H62N10O15S2 962.3838 NA PeJP NA NA +PJ102859 SSNNNNQW C38H54N14O16 962.3842 NA PeJP NA NA +PJ102860 GSNNDDRW C38H54N14O16 962.3843 NA PeJP NA NA +PJ102861 ATEMYYW C46H58N8O13S 962.3844 NA PeJP NA NA +PJ102862 GGEEMFFF C46H58N8O13S 962.3845 NA PeJP NA NA +PJ102863 TMMMMRY C39H66N10O10S4 962.3847 NA PeJP NA NA +PJ102864 GSSCMHRW C39H58N14O11S2 962.3851 NA PeJP NA NA +PJ102865 GGGGAPCCRW C39H58N14O11S2 962.3852 NA PeJP NA NA +PJ102866 AMMMFFW C47H62N8O8S3 962.3853 NA PeJP NA NA +PJ102867 GSDHHHHH C39H50N18O12 962.3856 NA PeJP NA NA +PJ102868 GCQHFWW C47H54N12O9S 962.3858 NA PeJP NA NA +PJ102869 LEEEEEW C42H58N8O18 962.3869 NA PeJP NA NA +PJ102870 APPEEEEY C42H58N8O18 962.387 NA PeJP NA NA +PJ102871 SPCDDDRR C35H58N14O16S 962.3876 NA PeJP NA NA +PJ102872 GGGGGNEEMR C35H58N14O16S 962.3877 NA PeJP NA NA +PJ102873 VQEMMYY C43H62N8O13S2 962.3878 NA PeJP NA NA +PJ102874 GDDERWW C43H54N12O14 962.3883 NA PeJP NA NA +PJ102875 PPCCCERR C36H62N14O11S3 962.3885 NA PeJP NA NA +PJ102876 TCCKHWW C44H58N12O9S2 962.3892 NA PeJP NA NA +PJ102877 PCWWWW C52H54N10O7S 962.3898 NA PeJP NA NA +PJ102878 SPLEEEEM C39H62N8O18S 962.3903 NA PeJP NA NA +PJ102879 SSTLMMMY C40H66N8O13S3 962.3912 NA PeJP NA NA +PJ102880 SSSTQMHW C40H58N12O14S 962.3916 NA PeJP NA NA +PJ102881 GSPDDMRW C40H58N12O14S 962.3917 NA PeJP NA NA +PJ102882 QEEWWW C48H54N10O12 962.3923 NA PeJP NA NA +PJ102883 APPCCMRW C41H62N12O9S3 962.3925 NA PeJP NA NA +PJ102884 SSSSSDKEH C36H58N12O19 962.3941 NA PeJP NA NA +PJ102885 GSQEEEER C36H58N12O19 962.3942 NA PeJP NA NA +PJ102886 GPNEEMMR C37H62N12O14S2 962.395 NA PeJP NA NA +PJ102887 GGGGGGPDKMM C37H62N12O14S2 962.3951 NA PeJP NA NA +PJ102888 GSSSSQHHH C37H54N16O15 962.3955 NA PeJP NA NA +PJ102889 SPQEMWW C45H58N10O12S 962.3957 NA PeJP NA NA +PJ102890 DFFYWW C53H54N8O10 962.3963 NA PeJP NA NA +PJ102891 DMMHHHR C38H58N16O10S2 962.3964 NA PeJP NA NA +PJ102892 PCHHHFW C46H54N14O8S 962.397 NA PeJP NA NA +PJ102893 NKEEEEW C41H58N10O17 962.3982 NA PeJP NA NA +PJ102894 GCNNDERR C34H58N16O15S 962.3989 NA PeJP NA NA +PJ102895 SSPPQMMW C42H62N10O12S2 962.399 NA PeJP NA NA +PJ102896 AAPQEMMW C42H62N10O12S2 962.3991 NA PeJP NA NA +PJ102897 GSPNEHHW C42H54N14O13 962.3995 NA PeJP NA NA +PJ102898 GGGGGGGGGHFF C42H54N14O13 962.3996 NA PeJP NA NA +PJ102899 GPMFYYW C50H58N8O10S 962.3997 NA PeJP NA NA +PJ102900 CLMHHHW C43H58N14O8S2 962.4004 NA PeJP NA NA +PJ102901 SSSSSSKMY C38H62N10O17S 962.4015 NA PeJP NA NA +PJ102902 SPNKEEEM C38H62N10O17S 962.4016 NA PeJP NA NA +PJ102903 TTTEYYW C46H58N8O15 962.4022 NA PeJP NA NA +PJ102904 STCCKKMY C39H66N10O12S3 962.4024 NA PeJP NA NA +PJ102905 SSSTCHRW C39H58N14O13S 962.4029 NA PeJP NA NA +PJ102906 GLMMYYW C47H62N8O10S2 962.4031 NA PeJP NA NA +PJ102907 DDRWWW C47H54N12O11 962.4035 NA PeJP NA NA +PJ102908 GGGGGTWWW C47H54N12O11 962.4036 NA PeJP NA NA +PJ102909 CCKMHRW C40H62N14O8S3 962.4038 NA PeJP NA NA +PJ102910 QMHHHHH C40H54N18O9S 962.4042 NA PeJP NA NA +PJ102911 GSDDEERR C35H58N14O18 962.4054 NA PeJP NA NA +PJ102912 TKEEMYY C43H62N8O15S 962.4056 NA PeJP NA NA +PJ102913 SSSQMMHR C36H62N14O13S2 962.4062 NA PeJP NA NA +PJ102914 GPCDEMRR C36H62N14O13S2 962.4063 NA PeJP NA NA +PJ102915 PKMMMYY C44H66N8O10S3 962.4064 NA PeJP NA NA +PJ102916 GNNNDHHR C36H54N18O14 962.4067 NA PeJP NA NA +PJ102917 GGGGGNDHHR C36H54N18O14 962.4068 NA PeJP NA NA +PJ102918 SPCERWW C44H58N12O11S 962.4069 NA PeJP NA NA +PJ102919 AEWWWW C52H54N10O9 962.4076 NA PeJP NA NA +PJ102920 SVLEEEEE C39H62N8O20 962.4081 NA PeJP NA NA +PJ102921 PVVEEEMM C40H66N8O15S2 962.409 NA PeJP NA NA +PJ102922 SQEEERW C40H58N12O16 962.4094 NA PeJP NA NA +PJ102923 PNEMMRW C41H62N12O11S2 962.4103 NA PeJP NA NA +PJ102924 NNQQHHW C41H54N16O12 962.4107 NA PeJP NA NA +PJ102925 GGNQQHHW C41H54N16O12 962.4108 NA PeJP NA NA +PJ102926 GPTMWWW C49H58N10O9S 962.4109 NA PeJP NA NA +PJ102927 AAQEEEMR C37H62N12O16S 962.4128 NA PeJP NA NA +PJ102928 GKEEEWW C45H58N10O14 962.4134 NA PeJP NA NA +PJ102929 SPPNMMMR C38H66N12O11S3 962.4137 NA PeJP NA NA +PJ102930 CNNDRRW C38H58N16O12S 962.4141 NA PeJP NA NA +PJ102931 GGGGGGPCKHH C38H58N16O12S 962.4142 NA PeJP NA NA +PJ102932 PVNMMWW C46H62N10O9S2 962.4143 NA PeJP NA NA +PJ102933 SPNHHWW C46H54N14O10 962.4148 NA PeJP NA NA +PJ102934 MFFFWW C54H58N8O7S 962.415 NA PeJP NA NA +PJ102935 CHHHHHR C39H54N20O8S 962.4155 NA PeJP NA NA +PJ102936 SSNNDDRR C34H58N16O17 962.4166 NA PeJP NA NA +PJ102937 GGGGGGGGGSSTR C34H58N16O17 962.4167 NA PeJP NA NA +PJ102938 GSPKEEMW C42H62N10O14S 962.4168 NA PeJP NA NA +PJ102939 APTYYYW C50H58N8O12 962.4174 NA PeJP NA NA +PJ102940 GVEFYYW C50H58N8O12 962.4175 NA PeJP NA NA +PJ102941 APPCKMMW C43H66N10O9S3 962.4177 NA PeJP NA NA +PJ102942 GNNMRWW C43H58N14O10S 962.4181 NA PeJP NA NA +MJ098791 Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-4-O-sulfo-?-D-fucopyranoside], 3-O-?-D-glucopyranoside C45H70O20S 962.418115 NA MeJP NA NA +PJ102943 GGGNMRWW C43H58N14O10S 962.4182 NA PeJP NA NA +PJ102944 GDKKEEEE C38H62N10O19 962.4193 NA PeJP NA NA +PJ102945 TTTLEMMH C39H66N10O14S2 962.4202 NA PeJP NA NA +PJ102946 GSSNQERW C39H58N14O15 962.4206 NA PeJP NA NA +PJ102947 SDDERRW C39H58N14O15 962.4207 NA PeJP NA NA +PJ102948 STLMYYW C47H62N8O12S 962.4208 NA PeJP NA NA +PJ102949 GLLMMMMH C40H70N10O9S4 962.4211 NA PeJP NA NA +PJ102950 PCDMRRW C40H62N14O10S2 962.4215 NA PeJP NA NA +PJ102951 GTTHHHHH C40H54N18O11 962.422 NA PeJP NA NA +PJ102952 GCKHFWW C48H58N12O8S 962.4222 NA PeJP NA NA +PJ102953 SSTTLEYY C43H62N8O17 962.4233 NA PeJP NA NA +PJ102954 NEEEMRR C36H62N14O15S 962.424 NA PeJP NA NA +MJ098792 Trichostatin A; Fe complex C51H66FeN6O9 962.424069 NA MeJP NA NA +PJ102955 GGGGGGGGGATKM C36H62N14O15S 962.4241 NA PeJP NA NA +PJ102956 VKEMMYY C44H66N8O12S2 962.4242 NA PeJP NA NA +PJ102957 GTEERWW C44H58N12O13 962.4247 NA PeJP NA NA +PJ102958 PPTCCMRR C37H66N14O10S3 962.4249 NA PeJP NA NA +PJ102959 GPMMRWW C45H62N12O8S2 962.4255 NA PeJP NA NA +PJ102960 ALLEEEEM C40H66N8O17S 962.4267 NA PeJP NA NA +PJ102961 VNEEMRW C41H62N12O13S 962.428 NA PeJP NA NA +PJ102962 GGVEEMRW C41H62N12O13S 962.4281 NA PeJP NA NA +PJ102963 KEEWWW C49H58N10O11 962.4287 NA PeJP NA NA +PJ102964 CKKMMHW C42H66N12O8S3 962.4289 NA PeJP NA NA +PJ102965 PCQHHRW C42H58N16O9S 962.4294 NA PeJP NA NA +PJ102966 ATTQEEER C37H62N12O18 962.4305 NA PeJP NA NA +PJ102967 GSKEEEER C37H62N12O18 962.4306 NA PeJP NA NA +PJ102968 GPDKEMMR C38H66N12O13S2 962.4314 NA PeJP NA NA +PJ102969 GNNNNQFR C38H58N16O14 962.4319 NA PeJP NA NA +PJ102970 APMRYYY C46H62N10O11S 962.432 NA PeJP NA NA +PJ102971 SPKEMWW C46H62N10O11S 962.4321 NA PeJP NA NA +PJ102972 VFYYWW C54H58N8O9 962.4327 NA PeJP NA NA +PJ102973 CNMHFRR C39H62N16O9S2 962.4328 NA PeJP NA NA +PJ102974 SSSPPTTTW C42H62N10O16 962.4345 NA PeJP NA NA +PJ102975 DKKEEEW C42H62N10O16 962.4346 NA PeJP NA NA +PJ102976 ASCNQERR C35H62N16O14S 962.4352 NA PeJP NA NA +PJ102977 DDDMRRR C35H62N16O14S 962.4353 NA PeJP NA NA +PJ102978 AAPKEMMW C43H66N10O11S2 962.4354 NA PeJP NA NA +PJ102979 GGGGPPLMMF C43H66N10O11S2 962.4355 NA PeJP NA NA +PJ102980 SSNQRWW C43H58N14O12 962.4359 NA PeJP NA NA +PJ102981 GLMFFYW C51H62N8O9S 962.4361 NA PeJP NA NA +PJ102982 GLQKEEEM C39H66N10O16S 962.4379 NA PeJP NA NA +PJ102983 AAAAASLEEM C39H66N10O16S 962.438 NA PeJP NA NA +PJ102984 PTKEYYY C47H62N8O14 962.4386 NA PeJP NA NA +PJ102985 STLLMMMH C40H70N10O11S3 962.4388 NA PeJP NA NA +PJ102986 GEEMRRW C40H62N14O12S 962.4393 NA PeJP NA NA +PJ102987 PKMMFFY C48H66N8O9S2 962.4395 NA PeJP NA NA +PJ102988 TERWWW C48H58N12O10 962.4399 NA PeJP NA NA +PJ102989 KMHHHHH C41H58N18O8S 962.4406 NA PeJP NA NA +PJ102990 GSTEEERR C36H62N14O17 962.4418 NA PeJP NA NA +PJ102991 SSSLLMYY C44H66N8O14S 962.4419 NA PeJP NA NA +PJ102992 PPVVEEMY C44H66N8O14S 962.442 NA PeJP NA NA +PJ102993 ASPDMMRR C37H66N14O12S2 962.4426 NA PeJP NA NA +PJ102994 GSPEMMRR C37H66N14O12S2 962.4427 NA PeJP NA NA +PJ102995 LKMMMFY C45H70N8O9S3 962.4428 NA PeJP NA NA +PJ102996 NDEHHRR C37H58N18O13 962.4431 NA PeJP NA NA +PJ102997 GVEMRWW C45H62N12O10S 962.4433 NA PeJP NA NA +PJ102998 SLWWWW C53H58N10O8 962.4439 NA PeJP NA NA +PJ102999 TTLLEEEE C40H66N8O19 962.4445 NA PeJP NA NA +PJ103000 PTLLEEMM C41H70N8O14S2 962.4453 NA PeJP NA NA +PJ103001 SKEEERW C41H62N12O15 962.4458 NA PeJP NA NA +PJ103002 PPLLMMMM C42H74N8O9S4 962.4462 NA PeJP NA NA +PJ103003 GSCNDRRR C34H62N18O13S 962.4465 NA PeJP NA NA +PJ103004 PDKMMRW C42H66N12O10S2 962.4467 NA PeJP NA NA +PJ103005 AQEHHRW C42H58N16O11 962.4471 NA PeJP NA NA +PJ103006 GAAEHHRW C42H58N16O11 962.4472 NA PeJP NA NA +PJ103007 AALMWWW C50H62N10O8S 962.4473 NA PeJP NA NA +PJ103008 AAKEEEMR C38H66N12O15S 962.4492 NA PeJP NA NA +PJ103009 SVKEEWW C46H62N10O13 962.4498 NA PeJP NA NA +PJ103010 GPLQMMMR C39H70N12O10S3 962.45 NA PeJP NA NA +PJ103011 GGAPLMMMR C39H70N12O10S3 962.4501 NA PeJP NA NA +PJ103012 SNNMRRW C39H62N16O11S 962.4505 NA PeJP NA NA +PJ103013 PCLKMWW C47H66N10O8S2 962.4507 NA PeJP NA NA +PJ103014 GLQHHWW C47H58N14O9 962.4512 NA PeJP NA NA +PJ103015 SSSNQERR C35H62N16O16 962.453 NA PeJP NA NA +PJ103016 LQKEEMW C43H66N10O13S 962.4532 NA PeJP NA NA +PJ103017 GVLYYYW C51H62N8O11 962.4538 NA PeJP NA NA +PJ103018 NQQMMRR C36H66N16O11S2 962.4539 NA PeJP NA NA +PJ103019 EMRRWW C44H62N14O9S 962.4545 NA PeJP NA NA +PJ103020 ATKKEEEE C39H66N10O18 962.4557 NA PeJP NA NA +PJ103021 APKKEEMM C40H70N10O13S2 962.4566 NA PeJP NA NA +PJ103022 STEERRW C40H62N14O14 962.457 NA PeJP NA NA +PJ103023 GGGGGAAPTRY C40H62N14O14 962.4571 NA PeJP NA NA +PJ103024 PVKMYYY C48H66N8O11S 962.4572 NA PeJP NA NA +PJ103025 SPMMRRW C41H66N14O9S2 962.4579 NA PeJP NA NA +PJ103026 GDHHRRW C41H58N18O10 962.4584 NA PeJP NA NA +PJ103027 VMRWWW C49H62N12O7S 962.4586 NA PeJP NA NA +PJ103028 TTTTTLYY C44H66N8O16 962.4597 NA PeJP NA NA +PJ103029 DKEEMRR C37H66N14O14S 962.4604 NA PeJP NA NA +PJ103030 PPVLEMMF C45H70N8O11S2 962.4606 NA PeJP NA NA +PJ103031 SSLERWW C45H62N12O12 962.461 NA PeJP NA NA +PJ103032 GGSDKKWW C45H62N12O12 962.4611 NA PeJP NA NA +PJ103033 AAPMMMRR C38H70N14O9S3 962.4613 NA PeJP NA NA +PJ103034 GPTCHHRR C38H62N18O10S 962.4618 NA PeJP NA NA +PJ103035 AAHHRWW C46H58N16O8 962.4624 NA PeJP NA NA +PJ103036 SLLLEEEM C41H70N8O16S 962.4631 NA PeJP NA NA +PJ103037 PVLLEMMM C42H74N8O11S3 962.464 NA PeJP NA NA +PJ103038 VDKEMRW C42H66N12O12S 962.4644 NA PeJP NA NA +PJ103039 GGGGGGPVKMF C42H66N12O12S 962.4645 NA PeJP NA NA +PJ103040 ATTLWWW C50H62N10O10 962.4651 NA PeJP NA NA +PJ103041 PCKHHRW C43H62N16O8S 962.4658 NA PeJP NA NA +PJ103042 ATTKEEER C38H66N12O17 962.4669 NA PeJP NA NA +PJ103043 APTKEMMR C39H70N12O12S2 962.4678 NA PeJP NA NA +PJ103044 GSSSQRRW C39H62N16O13 962.4683 NA PeJP NA NA +PJ103045 ALKEMWW C47H66N10O10S 962.4684 NA PeJP NA NA +PJ103046 GGTLLMWW C47H66N10O10S 962.4685 NA PeJP NA NA +PJ103047 GLFFFFW C55H62N8O8 962.4691 NA PeJP NA NA +PJ103048 SSVVKEEW C43H66N10O15 962.4709 NA PeJP NA NA +PJ103049 GTTLKEEW C43H66N10O15 962.471 NA PeJP NA NA +PJ103050 SEEMRRR C36H66N16O13S 962.4716 NA PeJP NA NA +PJ103051 GGGSDKMRR C36H66N16O13S 962.4717 NA PeJP NA NA +PJ103052 GPTLKMMW C44H70N10O10S2 962.4718 NA PeJP NA NA +PJ103053 SSNKRWW C44H62N14O11 962.4723 NA PeJP NA NA +PJ103054 PKMFFFF C52H66N8O8S 962.4725 NA PeJP NA NA +PJ103055 GLKKEEEM C40H70N10O15S 962.4743 NA PeJP NA NA +2947 NA FGGFTGARKSARKWDNQ 962.47435 MH2+ Inhouse_peptide NA peptide +PJ103056 VVKEYYY C48H66N8O13 962.475 NA PeJP NA NA +PJ103057 PPTKKMMM C41H74N10O10S3 962.4752 NA PeJP NA NA +PJ103058 SQQKMRW C41H66N14O11S 962.4756 NA PeJP NA NA +PJ103059 SVEMRRW C41H66N14O11S 962.4757 NA PeJP NA NA +PJ103060 LKMMFFF C49H70N8O8S2 962.4758 NA PeJP NA NA +PJ103061 GPVRYWW C49H62N12O9 962.4763 NA PeJP NA NA +PJ103062 CCNRRRR C34H66N20O9S2 962.4764 NA PeJP NA NA +PJ103063 SSSSPTNKR C37H66N14O16 962.4781 NA PeJP NA NA +PJ103064 SSSLEERR C37H66N14O16 962.4782 NA PeJP NA NA +PJ103065 PPTLLEMY C45H70N8O13S 962.4783 NA PeJP NA NA +PJ103066 PVVLEEMF C45H70N8O13S 962.4784 NA PeJP NA NA +PJ103067 LQEMMRR C38H70N14O11S2 962.479 NA PeJP NA NA +PJ103068 GGGGGLKMMR C38H70N14O11S2 962.4791 NA PeJP NA NA +PJ103069 TQEHHRR C38H62N18O12 962.4795 NA PeJP NA NA +MJ098793 WWamide 1; 3-L-Glutaminyl analogue C46H66N12O9S 962.479642 NA MeJP NA NA +PJ103070 ATLMRWW C46H66N12O9S 962.4797 NA PeJP NA NA +PJ103071 VVLLEEMM C42H74N8O13S2 962.4817 NA PeJP NA NA +PJ103072 GTTTLERW C42H66N12O14 962.4822 NA PeJP NA NA +PJ103073 GSSNMRRR C35H66N18O12S 962.4829 NA PeJP NA NA +PJ103074 VLQMMRW C43H70N12O9S2 962.483 NA PeJP NA NA +PJ103075 LLNMMRW C43H70N12O9S2 962.4831 NA PeJP NA NA +PJ103076 GNQFRRW C43H62N16O10 962.4835 NA PeJP NA NA +PJ103077 SSLLQEMR C39H70N12O14S 962.4855 NA PeJP NA NA +PJ103078 GTLKEEMR C39H70N12O14S 962.4856 NA PeJP NA NA +PJ103079 TTLKEWW C47H66N10O12 962.4862 NA PeJP NA NA +PJ103080 GPLKMMMR C40H74N12O9S3 962.4864 NA PeJP NA NA +PJ103081 SCQKRRW C40H66N16O10S 962.4869 NA PeJP NA NA +PJ103082 PRRYWW C48H62N14O8 962.4875 NA PeJP NA NA +PJ103083 GLKHHWW C48H62N14O8 962.4876 NA PeJP NA NA +PJ103084 SSSNKERR C36H66N16O15 962.4894 NA PeJP NA NA +PJ103085 LKKEEMW C44H70N10O12S 962.4896 NA PeJP NA NA +PJ103086 PVKFFYY C52H66N8O10 962.4902 NA PeJP NA NA +PJ103087 VDMMRRR C37H70N16O10S2 962.4903 NA PeJP NA NA +PJ103088 SDHHRRR C37H62N20O11 962.4907 NA PeJP NA NA +PJ103089 GCKKRWW C45H66N14O8S 962.4909 NA PeJP NA NA +PJ103090 STLKKEEE C40H70N10O17 962.4921 NA PeJP NA NA +PJ103091 ASPVVTKMM C41H74N10O12S2 962.4929 NA PeJP NA NA +PJ103092 SPLKKEMM C41H74N10O12S2 962.493 NA PeJP NA NA +PJ103093 GSSDKKRW C41H66N14O13 962.4934 NA PeJP NA NA +PJ103094 GGGGGGGAAKKF C41H66N14O13 962.4935 NA PeJP NA NA +PJ103095 VLKMFYY C49H70N8O10S 962.4936 NA PeJP NA NA +PJ103096 ALMMRRW C42H70N14O8S2 962.4943 NA PeJP NA NA +PJ103097 ATHHRRW C42H62N18O9 962.4948 NA PeJP NA NA +PJ103098 SPLLLEEY C45H70N8O15 962.4961 NA PeJP NA NA +PJ103099 GTTLEMRR C38H70N14O13S 962.4968 NA PeJP NA NA +PJ103100 PPVLLMMY C46H74N8O10S2 962.497 NA PeJP NA NA +PJ103101 TTTLRWW C46H66N12O11 962.4974 NA PeJP NA NA +PJ103102 GGGAPKKYW C46H66N12O11 962.4975 NA PeJP NA NA +PJ103103 VQMHHRR C39H66N18O9S 962.4981 NA PeJP NA NA +PJ103104 SSSSQRRR C35H66N18O14 962.5006 NA PeJP NA NA +PJ103105 TLKEMRW C43H70N12O11S 962.5008 NA PeJP NA NA +PJ103106 APLKYWW C51H66N10O9 962.5015 NA PeJP NA NA +PJ103107 STTLKEER C39H70N12O16 962.5033 NA PeJP NA NA +PJ103108 GVLKEMMR C40H74N12O11S2 962.5042 NA PeJP NA NA +PJ103109 VNQQRRY C40H66N16O12 962.5046 NA PeJP NA NA +PJ103110 GSSSKRRW C40H66N16O12 962.5047 NA PeJP NA NA +PJ103111 SLLKMWW C48H70N10O9S 962.5048 NA PeJP NA NA +PJ103112 SSTLLKEW C44H70N10O14 962.5073 NA PeJP NA NA +PJ103113 GGGAALLLEY C44H70N10O14 962.5074 NA PeJP NA NA +PJ103114 GSTQKMRR C37H70N16O12S 962.508 NA PeJP NA NA +PJ103115 AALLKMMW C45H74N10O9S2 962.5082 NA PeJP NA NA +MJ098794 12-Oleanene-3,15,16,21,22,28-hexol, 3-O-[?-L-Arabinopyranosyl-(1?6)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] C47H78O20 962.508644 NA MeJP NA NA +MJ098795 Furostane-3,14,17,22,26-pentol, 22-Me ether, 26-Ac, 3-O-[?-L-arabinopyranosyl-(1?3)[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] C47H78O20 962.508644 NA MeJP NA NA +PJ103116 SPVRRYW C45H66N14O10 962.5087 NA PeJP NA NA +PJ103117 AMHHRRR C38H66N20O8S 962.5094 NA PeJP NA NA +PJ103118 SVLKKEEM C41H74N10O14S 962.5107 NA PeJP NA NA +PJ103119 TLLKYYY C49H70N8O12 962.5113 NA PeJP NA NA +PJ103120 PPPTLLYY C49H70N8O12 962.5114 NA PeJP NA NA +PJ103121 PVVKKMMM C42H78N10O9S3 962.5116 NA PeJP NA NA +PJ103122 TTLMRRW C42H70N14O10S 962.512 NA PeJP NA NA +PJ103123 GGTKKMRW C42H70N14O10S 962.5121 NA PeJP NA NA +PJ103124 GVLFRWW C50H66N12O8 962.5127 NA PeJP NA NA +PJ103125 STTTLERR C38H70N14O15 962.5145 NA PeJP NA NA +PJ103126 GGSTTKKER C38H70N14O15 962.5146 NA PeJP NA NA +PJ103127 PVVLLEMY C46H74N8O12S 962.5147 NA PeJP NA NA +PJ103128 LKEMMRR C39H74N14O10S2 962.5154 NA PeJP NA NA +PJ103129 GQQRRRY C39H66N18O11 962.5159 NA PeJP NA NA +PJ103130 GKKKMWW C47H70N12O8S 962.5161 NA PeJP NA NA +PJ103131 TLLLLEMM C43H78N8O12S2 962.5181 NA PeJP NA NA +PJ103132 SSTTLLRW C43H70N12O13 962.5186 NA PeJP NA NA +PJ103133 GSTCKRRR C36H70N18O11S 962.5193 NA PeJP NA NA +PJ103134 VLKMMRW C44H74N12O8S2 962.5194 NA PeJP NA NA +PJ103135 GNKFRRW C44H66N16O9 962.5199 NA PeJP NA NA +PJ103136 SSLLKEMR C40H74N12O13S 962.5219 NA PeJP NA NA +PJ103137 GDKKKKEM C40H74N12O13S 962.522 NA PeJP NA NA +PJ103138 PLKKEYW C48H70N10O11 962.5226 NA PeJP NA NA +PJ103139 SCKKRRW C41H70N16O9S 962.5233 NA PeJP NA NA +PJ103140 LFRRWW C49H66N14O7 962.5239 NA PeJP NA NA +MJ098796 Pregnane-3,11,12,14,20-pentol, 12-Benzoyl, 11-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] C51H78O17 962.523901 NA MeJP NA NA +PJ103141 SSSDKKRR C37H70N16O14 962.5258 NA PeJP NA NA +PJ103142 ATTLLKMW C45H74N10O11S 962.526 NA PeJP NA NA +PJ103143 VLKFFFY C53H70N8O9 962.5266 NA PeJP NA NA +PJ103144 TLMMRRR C38H74N16O9S2 962.5267 NA PeJP NA NA +PJ103145 TTHHRRR C38H66N20O10 962.5271 NA PeJP NA NA +PJ103146 SSSSLLLKE C41H74N10O16 962.5285 NA PeJP NA NA +PJ103147 ALLKKEMM C42H78N10O11S2 962.5293 NA PeJP NA NA +PJ103148 GSTTKKRW C42H70N14O12 962.5298 NA PeJP NA NA +MJ098797 Patellin 6 C50H74N8O9S 962.529946 NA MeJP NA NA +PJ103149 PPVLLMFF C50H74N8O9S 962.53 NA PeJP NA NA +PJ103150 ALLLLEEY C46H74N8O14 962.5325 NA PeJP NA NA +PJ103151 SSTLLMRR C39H74N14O12S 962.5332 NA PeJP NA NA +PJ103152 PVLLLMMF C47H78N8O9S2 962.5334 NA PeJP NA NA +PJ103153 STKKKWW C47H70N12O10 962.5338 NA PeJP NA NA +PJ103154 VKMHHRR C40H70N18O8S 962.5345 NA PeJP NA NA +PJ103155 VLLLLMMM C44H82N8O9S3 962.5367 NA PeJP NA NA +PJ103156 SSSSKRRR C36H70N18O13 962.537 NA PeJP NA NA +PJ103157 DKKKKMW C44H74N12O10S 962.5372 NA PeJP NA NA +PJ103158 ALLKFWW C52H70N10O8 962.5378 NA PeJP NA NA +PJ103159 VVVKFWW C52H70N10O8 962.5379 NA PeJP NA NA +PJ103160 SSSSTLLLR C40H74N12O15 962.5397 NA PeJP NA NA +PJ103161 ATLLKMMR C41H78N12O10S2 962.5406 NA PeJP NA NA +PJ103162 ALERRRY C41H70N16O11 962.541 NA PeJP NA NA +PJ103163 GGGGLKRRY C41H70N16O11 962.5411 NA PeJP NA NA +PJ103164 TTTTLLKW C45H74N10O13 962.5437 NA PeJP NA NA +PJ103165 GSTKKMRR C38H74N16O11S 962.5444 NA PeJP NA NA +MJ098798 20,24-Epoxydammarane-3,12,23,25,28-pentol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] C48H82O19 962.54503 NA MeJP NA NA +MJ098799 20,24-Epoxydammarane-3,12,23,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C48H82O19 962.54503 NA MeJP NA NA +MJ098800 21-Baccharene-3,18,23,28-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranoside C48H82O19 962.54503 NA MeJP NA NA +MJ098801 Antibiotic YL 02107Q-A C48H82O19 962.54503 NA MeJP NA NA +MJ098802 Cucurbit-5-ene-3,11,24,25-tetrol, 24-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl(1?6)]-?-D-glucopyranoside] C48H82O19 962.54503 NA MeJP NA NA +MJ098803 Cucurbit-5-ene-3,11,24,25-tetrol, 3-O-?-D-Glucopyranoside, 24-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C48H82O19 962.54503 NA MeJP NA NA +MJ098804 Cucurbit-5-ene-3,11,24,25-tetrol, 3-O-?-D-Glucopyranoside, 24-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C48H82O19 962.54503 NA MeJP NA NA +MJ098805 Cucurbit-5-ene-3,11,24,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], 24-O-?-D-glucopyranoside C48H82O19 962.54503 NA MeJP NA NA +MJ098806 Cycloartane-3,11,16,24-tetrol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C48H82O19 962.54503 NA MeJP NA NA +MJ098807 Cycloartane-3,16,20,24,25-pentol, 3-O-[?-D-Glucopyranosyl(1?2)-?-D-glucopyranoside], 25-O-?-L-rhamnopyranoside C48H82O19 962.54503 NA MeJP NA NA +MJ098808 Dammar-22-ene-3,12,20,24-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H82O19 962.54503 NA MeJP NA NA +MJ098809 Dammar-22-ene-3,6,12,20,24-pentol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H82O19 962.54503 NA MeJP NA NA +MJ098810 Dammar-23-ene-3,12,20,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H82O19 962.54503 NA MeJP NA NA +MJ098811 Dammar-23-ene-3,6,12,20,25-pentol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H82O19 962.54503 NA MeJP NA NA +MJ098812 Dammar-24-ene-1,3,12,20-tetrol, 3-O-?-D-Glucopyranoside, 20-O-[?-D-glucopyranosyl-(1?6)-glucopyranoside] C48H82O19 962.54503 NA MeJP NA NA +MJ098813 Dammar-24-ene-2,3,12,20-tetrol, 3-O-?-D-Glucopyranoside, 20-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C48H82O19 962.54503 NA MeJP NA NA +MJ098814 Dammar-24-ene-2,3,12,20-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H82O19 962.54503 NA MeJP NA NA +MJ098815 Dammar-24-ene-3,12,20,26-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H82O19 962.54503 NA MeJP NA NA +MJ098816 Dammar-24-ene-3,6,12,20-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H82O19 962.54503 NA MeJP NA NA +MJ098817 Dammar-24-ene-3,6,12,20-tetrol, 6-O-?-D-Glucopyranoside, 20-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C48H82O19 962.54503 NA MeJP NA NA +MJ098818 Dammar-24-ene-3,6,12,20-tetrol, 6-O-?-D-Glucopyranoside, 20-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C48H82O19 962.54503 NA MeJP NA NA +MJ098819 Dammar-24-ene-3,6,20,26-tetrol, 3-O-?-Sophoroside, 26-O-?-D-glucopyranoside C48H82O19 962.54503 NA MeJP NA NA +MJ098820 Dammar-25-ene-3,12,20,24-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H82O19 962.54503 NA MeJP NA NA +PJ103166 GLLRRYW C46H70N14O9 962.5451 NA PeJP NA NA +PJ103167 TTLLKKEM C42H78N10O13S 962.5471 NA PeJP NA NA +PJ103168 PPVVLLYY C50H74N8O11 962.5477 NA PeJP NA NA +PJ103169 PVVLLEFF C50H74N8O11 962.5478 NA PeJP NA NA +PJ103170 SKKKMRW C43H74N14O9S 962.5484 NA PeJP NA NA +PJ103171 SSTKKKER C39H74N14O14 962.5509 NA PeJP NA NA +PJ103172 PTLLLLMY C47H78N8O11S 962.5511 NA PeJP NA NA +PJ103173 AAKKKMMR C40H78N14O9S2 962.5518 NA PeJP NA NA +PJ103174 GQKRRRY C40H70N18O10 962.5523 NA PeJP NA NA +PJ103175 ATTTKKKW C44H74N12O12 962.5549 NA PeJP NA NA +PJ103176 SSSLKKKW C44H74N12O12 962.555 NA PeJP NA NA +PJ103177 PVLHRRW C45H70N16O8 962.5563 NA PeJP NA NA +PJ103178 TTTLLKMR C41H78N12O12S 962.5583 NA PeJP NA NA +PJ103179 LLLQKYW C49H74N10O10 962.559 NA PeJP NA NA +PJ103180 VVMFRRR C42H74N16O8S 962.5597 NA PeJP NA NA +PJ103181 SSTTKKRR C38H74N16O13 962.5622 NA PeJP NA NA +PJ103182 APLLKKMY C46H78N10O10S 962.5624 NA PeJP NA NA +PJ103183 PNKHRRR C39H70N20O9 962.5635 NA PeJP NA NA +PJ103184 SSTTTLLLK C42H78N10O15 962.5648 NA PeJP NA NA +PJ103185 SLLLKKMM C43H82N10O10S2 962.5657 NA PeJP NA NA +PJ103186 VLKERRY C43H74N14O11 962.5662 NA PeJP NA NA +MJ098821 Apramide A; 2'-Demethyl C51H78N8O8S 962.566332 NA MeJP NA NA +PJ103187 SLLLLLEY C47H78N8O13 962.5689 NA PeJP NA NA +PJ103188 ATTKKKMR C40H78N14O11S 962.5696 NA PeJP NA NA +PJ103189 VVLKRYW C48H74N12O9 962.5702 NA PeJP NA NA +PJ103190 GVLLKMFR C45H78N12O9S 962.5736 NA PeJP NA NA +PJ103191 TTTKKKKE C41H78N12O14 962.5761 NA PeJP NA NA +PJ103192 GLKKKKMM C42H82N12O9S2 962.577 NA PeJP NA NA +PJ103193 SLLRRRY C42H74N16O10 962.5774 NA PeJP NA NA +PJ103194 GLLLKKEY C46H78N10O12 962.5801 NA PeJP NA NA +PJ103195 AKKKFRW C47H74N14O8 962.5814 NA PeJP NA NA +PJ103196 PLKFFRR C47H74N14O8 962.5815 NA PeJP NA NA +PJ103197 PVVLLLFY C51H78N8O10 962.5841 NA PeJP NA NA +PJ103198 LLKMFRR C44H78N14O8S 962.5848 NA PeJP NA NA +PJ103199 TTTTKKKR C40H78N14O13 962.5873 NA PeJP NA NA +PJ103200 VVLLLLMY C48H82N8O10S 962.5875 NA PeJP NA NA +PJ103201 GKKRRRY C41H74N18O9 962.5887 NA PeJP NA NA +PJ103202 GTLLLKRY C45H78N12O11 962.5913 NA PeJP NA NA +PJ103203 GPPPTLLLR C45H78N12O11 962.5914 NA PeJP NA NA +PJ103204 STLKKKKM C42H82N12O11S 962.5947 NA PeJP NA NA +PJ103205 LLLKKYW C50H78N10O9 962.5954 NA PeJP NA NA +PJ103206 ALLLKKMF C47H82N10O9S 962.5987 NA PeJP NA NA +PJ103207 LQKKKRY C44H78N14O10 962.6026 NA PeJP NA NA +PJ103208 VKKKKFW C49H78N12O8 962.6066 NA PeJP NA NA +PJ103209 TKKKFRR C43H78N16O9 962.6138 NA PeJP NA NA +PJ103210 SVLLLKKY C47H82N10O11 962.6165 NA PeJP NA NA +PJ103211 VVLLLLFF C52H82N8O9 962.6205 NA PeJP NA NA +PJ103212 LLLHRRR C42H78N18O8 962.6251 NA PeJP NA NA +PJ103213 GVLKKKKY C46H82N12O10 962.6277 NA PeJP NA NA +PJ103214 LKKKKRY C45H82N14O9 962.639 NA PeJP NA NA +PJ103215 GPPLLLLLK C48H86N10O10 962.6529 NA PeJP NA NA +PJ103216 VLLLLKKH C47H86N12O9 962.6641 NA PeJP NA NA +MJ098822 Huratoxin; 20-Hexacosanoyl C60H98O9 962.721084 NA MeJP NA NA +HMDB05465 TG(20:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C63H110O6 962.83026 http://www.hmdb.ca/metabolites/HMDB05465 HMDB NA NA +HMDB05465 TG(20:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C63H110O6 962.83026 HMDB05465 PFEM_hmdb_metabocards_official NA NA +HMDB05465 TG(20:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso3] C63H110O6 962.830261 NA HMDB2010 NA NA +MJ098823 Technetium iodomebrofenin C30H34I2N4O10Tc(-) 962.95147 NA MeJP NA NA +2931 NA TEPGLEEVGEIEQKQLQ 962.9695 MH2+ Inhouse_peptide NA peptide +7858 NA TEPGLEEVGEIEQKQLQ 962.9695 MH2+ Inhouse_peptide NA peptide +PJ103217 SCCCCCCCH C30H49N11O11S7 963.1658 NA PeJP NA NA +PJ103218 PCCCCCCDD C31H49N9O14S6 963.1724 NA PeJP NA NA +PJ103219 GCCCCDDDM C31H49N9O16S5 963.1901 NA PeJP NA NA +PJ103220 SCCCCCNND C30H49N11O15S5 963.2014 NA PeJP NA NA +MJ098824 Bis[8-hydroxy-5,7-quinolinedisulfonato(3-)-N1,O8]cuprate(4-) tetrahydrogen; Compd. with diethylamine (1:4) C34H56CuN6O14S4 963.203334 NA MeJP NA NA +PJ103221 CCCCCDEW C35H49N9O13S5 963.2054 NA PeJP NA NA +PJ103222 SSCCCCDDE C31H49N9O18S4 963.2079 NA PeJP NA NA +PJ103223 SPCCCCCDM C32H53N9O13S6 963.2087 NA PeJP NA NA +PJ103224 PTCCCCCCE C32H53N9O13S6 963.2088 NA PeJP NA NA +PJ103225 GCCCCCNQM C31H53N11O12S6 963.22 NA PeJP NA NA +MetaCyc04347 3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-coa [] C32H52N7O19P3S1 963.225153 NA metacyc NA NA +PJ103226 GSCCCDDMM C32H53N9O15S5 963.2265 NA PeJP NA NA +PJ103227 APCCCCCMM C33H57N9O10S7 963.2274 NA PeJP NA NA +PJ103228 GCCCCCCNR C30H53N13O11S6 963.2312 NA PeJP NA NA +PJ103229 SSCCCCNNM C31H53N11O14S5 963.2377 NA PeJP NA NA +PJ103230 GGGGSSCCCCM C31H53N11O14S5 963.2378 NA PeJP NA NA +FL7AAAGL0072 Pelargonidin 3-(6-(malonyl)glucoside)-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside) C43H47O25 963.24064 215237-92-6 knapsack NA NA +PJ103231 CCCNDDEY C35H49N9O17S3 963.2409 NA PeJP NA NA +PJ103232 SCCCCEMW C36H53N9O12S5 963.2418 NA PeJP NA NA +PJ103233 SSSCCCDEM C32H53N9O17S4 963.2443 NA PeJP NA NA +PJ103234 CCCNEMMM C33H57N9O12S6 963.2451 NA PeJP NA NA +PJ103235 GSCCCCDHH C33H49N13O13S4 963.2456 NA PeJP NA NA +PJ103236 GPCCCDDDH C34H49N11O16S3 963.2521 NA PeJP NA NA +PJ103237 GSSSSCCCCQ C31H53N11O16S4 963.2555 NA PeJP NA NA +PJ103238 GCCCDDYW C39H49N9O14S3 963.2562 NA PeJP NA NA +PJ103239 CCCCDMMR C32H57N11O11S6 963.2564 NA PeJP NA NA +PJ103240 PCCCCCFW C40H53N9O9S5 963.257 NA PeJP NA NA +PJ103241 GSSCCDDDY C35H49N9O19S2 963.2586 NA PeJP NA NA +PJ103242 GSPCCCCEY C36H53N9O14S4 963.2595 NA PeJP NA NA +PJ103243 GCCCMMMW C37H57N9O9S6 963.2604 NA PeJP NA NA +C05263 3-Oxododecanoyl-CoA C33H56N7O18P3S 963.2615 NA KEGG NA NA +HMDB03937 3-Oxododecanoyl-CoA C33H56N7O18P3S 963.261536 NA HMDB2010 NA NA +MJ098825 3-Oxododecanoyl-CoA C33H56N7O18P3S 963.261538 NA MeJP NA NA +HMDB03937 3-Oxododecanoyl-CoA C33H56N7O18P3S 963.26154 http://www.hmdb.ca/metabolites/HMDB03937 HMDB NA NA +HMDB03937 3-Oxododecanoyl-CoA C33H56N7O18P3S 963.26154 HMDB03937 PFEM_hmdb_metabocards_official NA NA +PJ103244 GSSCCDMMM C33H57N9O14S5 963.2629 NA PeJP NA NA +PJ103245 CCCCQMHH C34H53N13O10S5 963.2642 NA PeJP NA NA +PJ103246 CNDDDDMH C34H49N11O18S2 963.2699 NA PeJP NA NA +PJ103247 CCCNNNMY C35H53N11O13S4 963.2707 NA PeJP NA NA +PJ103248 GGCCCNNMY C35H53N11O13S4 963.2708 NA PeJP NA NA +C16242 Cobalt-precorrin 5A C45H52CoN4O16 963.271 NA KEGG NA NA +PJ103249 SSSSSSCCCN C31H53N11O18S3 963.2732 NA PeJP NA NA +PJ103250 GGSSSSSSCCC C31H53N11O18S3 963.2733 NA PeJP NA NA +PJ103251 SSCCCCCQK C32H57N11O13S5 963.2741 NA PeJP NA NA +PJ103252 SPCCCCYW C40H53N9O11S4 963.2748 NA PeJP NA NA +PJ103253 CCCCCHHR C33H53N15O9S5 963.2755 NA PeJP NA NA +FL7AADGL0023 Peonidin 3-ferulyldiglucoside-5-glucoside C44H51O24 963.27702 144093-82-3 knapsack NA NA +FL7AAHGL0023 Petunidin 3-O-[6-O-(4-O-(4-O-(beta-D-glucopyranosyl)-feruloyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]- 5-O-[beta-D-glucopyranoside] C44H51O24 963.27702 303115-57-3 knapsack NA NA +FL7AAIGL0023 Malvidin 3-caffeylrutinoside-5-glucoside C44H51O24 963.27702 210050-05-8 knapsack NA NA +PJ103254 SCCNDEMY C36H53N9O16S3 963.2773 NA PeJP NA NA +PJ103255 STCCCMMW C37H57N9O11S5 963.2781 NA PeJP NA NA +PJ103256 GGPCCCMMY C37H57N9O11S5 963.2782 NA PeJP NA NA +PJ103257 SSSSCCEMM C33H57N9O16S4 963.2806 NA PeJP NA NA +PJ103258 GSCCNNDDH C33H49N13O17S2 963.2811 NA PeJP NA NA +PJ103259 SCCQMMMM C34H61N9O11S6 963.2815 NA PeJP NA NA +PJ103260 GSSCCCMHH C34H53N13O12S4 963.282 NA PeJP NA NA +PJ103261 GCCDDEHW C38H49N11O15S2 963.2852 NA PeJP NA NA +PJ103262 GSSCDDDEH C34H49N11O20S 963.2876 NA PeJP NA NA +PJ103263 GGGPCNDDDD C34H49N11O20S 963.2877 NA PeJP NA NA +PJ103264 SCCCDDRY C35H53N11O15S3 963.2885 NA PeJP NA NA +PJ103265 APPCCCCMH C36H57N11O10S5 963.2894 NA PeJP NA NA +PJ103266 GCNDDDYY C39H49N9O18S 963.2917 NA PeJP NA NA +PJ103267 GSSSSCCCCK C32H57N11O15S4 963.2919 NA PeJP NA NA +PJ103268 GSCCDMYW C40H53N9O13S3 963.2925 NA PeJP NA NA +PJ103269 SCCCMMMR C33H61N11O10S6 963.2928 NA PeJP NA NA +PJ103270 GSPDDDDDE C35H49N9O23 963.2942 NA PeJP NA NA +PJ103271 GSSSCDDMY C36H53N9O18S2 963.295 NA PeJP NA NA +PJ103272 GPPCDDDDM C36H53N9O18S2 963.2951 NA PeJP NA NA +PJ103273 GCNDMMMY C37H57N9O13S4 963.2959 NA PeJP NA NA +PJ103274 CCCFYYY C45H53N7O11S3 963.2965 NA PeJP NA NA +PJ103275 GSSSCMMMM C34H61N9O13S5 963.2993 NA PeJP NA NA +PJ103276 SSSTCCCHH C34H53N13O14S3 963.2997 NA PeJP NA NA +PJ103277 GGGGCCNEMH C34H53N13O14S3 963.2998 NA PeJP NA NA +PJ103278 CCDDHWW C42H49N11O12S2 963.3004 NA PeJP NA NA +PJ103279 CCCCKMHH C35H57N13O9S5 963.3006 NA PeJP NA NA +PJ103280 SSCDDDHW C38H49N11O17S 963.3029 NA PeJP NA NA +PJ103281 SPCCCEHW C39H53N11O12S3 963.3038 NA PeJP NA NA +PJ103282 SSSSDDDDH C34H49N11O22 963.3054 NA PeJP NA NA +PJ103283 SSSSCCNNY C35H53N11O17S2 963.3063 NA PeJP NA NA +PJ103284 GCCCEMRY C36H57N11O12S4 963.3071 NA PeJP NA NA +PJ103285 GGGACCCCKY C36H57N11O12S4 963.3072 NA PeJP NA NA +PJ103286 TCCCYWW C44H53N9O10S3 963.3078 NA PeJP NA NA +PJ103287 SPDDDDDW C39H49N9O20 963.3094 NA PeJP NA NA +PJ103288 SSSCCEYW C40H53N9O15S2 963.3103 NA PeJP NA NA +PJ103289 SSCCCCCKK C33H61N11O12S5 963.3105 NA PeJP NA NA +PJ103290 CCCNNDHR C33H53N15O13S3 963.311 NA PeJP NA NA +PJ103291 CCQMMYW C41H57N9O10S4 963.3112 NA PeJP NA NA +PJ103292 SSSSSCDEY C36H53N9O20S 963.3128 NA PeJP NA NA +PJ103293 SSCNEMMY C37H57N9O15S3 963.3137 NA PeJP NA NA +PJ103294 SCCYYYY C45H53N7O13S2 963.3143 NA PeJP NA NA +PJ103295 GCNMMMMF C38H61N9O10S5 963.3145 NA PeJP NA NA +PJ103296 GCCNNMHW C38H53N13O11S3 963.315 NA PeJP NA NA +PJ103297 GSNNNNDDD C33H49N13O21 963.3166 NA PeJP NA NA +PJ103298 GGGGGSNNDDD C33H49N13O21 963.3167 NA PeJP NA NA +PJ103299 DDEEMYY C41H53N7O18S 963.3168 NA PeJP NA NA +PJ103300 SSSSTCMMM C34H61N9O15S4 963.317 NA PeJP NA NA +PJ103301 SCCDDEHR C34H53N13O16S2 963.3175 NA PeJP NA NA +PJ103302 SCCKMMMM C35H65N9O10S6 963.3179 NA PeJP NA NA +PJ103303 PCCCDMHR C35H57N13O11S4 963.3184 NA PeJP NA NA +PJ103304 GNNDDDEW C38H49N11O19 963.3207 NA PeJP NA NA +PJ103305 EEMMMMY C39H61N7O13S4 963.3211 NA PeJP NA NA +PJ103306 GSCDEMHW C39H53N11O14S2 963.3215 NA PeJP NA NA +PJ103307 CCCMRYW C40H57N11O9S4 963.3224 NA PeJP NA NA +PJ103308 PCDDDDER C35H53N11O19S 963.324 NA PeJP NA NA +PJ103309 GGGGGSPDDDM C35H53N11O19S 963.3241 NA PeJP NA NA +PJ103310 SSCCDMRY C36H57N11O14S3 963.3249 NA PeJP NA NA +PJ103311 SCNDDHHH C36H49N15O15S 963.3254 NA PeJP NA NA +PJ103312 CCNEFYW C44H53N9O12S2 963.3255 NA PeJP NA NA +PJ103313 GGCCEFYW C44H53N9O12S2 963.3256 NA PeJP NA NA +PJ103314 ACCCMMFR C37H61N11O9S5 963.3258 NA PeJP NA NA +PJ103315 PCCCQHHH C37H53N15O10S3 963.3262 NA PeJP NA NA +PJ103316 GAPCCCHHH C37H53N15O10S3 963.3263 NA PeJP NA NA +PJ103317 GSNDDMYY C40H53N9O17S 963.328 NA PeJP NA NA +PJ103318 GPDDDEMW C40H53N9O17S 963.3281 NA PeJP NA NA +PJ103319 GSSCMMYW C41H57N9O12S3 963.3289 NA PeJP NA NA +PJ103320 GNEEEEEE C36H53N9O22 963.3306 NA PeJP NA NA +PJ103321 GSSSSDMMY C37H57N9O17S2 963.3314 NA PeJP NA NA +PJ103322 PNDDDDHH C37H49N13O18 963.3319 NA PeJP NA NA +PJ103323 GSNMMMMY C38H61N9O12S4 963.3323 NA PeJP NA NA +PJ103324 SSCCNQHW C38H53N13O13S2 963.3328 NA PeJP NA NA +PJ103325 SSSSCNNEH C34H53N13O18S 963.3352 NA PeJP NA NA +PJ103326 GGSSSSCNEH C34H53N13O18S 963.3353 NA PeJP NA NA +PJ103327 DEEMMFY C42H57N7O15S2 963.3354 NA PeJP NA NA +PJ103328 NNDDDWW C42H49N11O16 963.3359 NA PeJP NA NA +PJ103329 GCDDMMHR C35H57N13O13S3 963.3361 NA PeJP NA NA +PJ103330 GGGPPCCCDR C35H57N13O13S3 963.3362 NA PeJP NA NA +PJ103331 SCDMHWW C43H53N11O11S2 963.3368 NA PeJP NA NA +PJ103332 SSSDDMHW C39H53N11O16S 963.3393 NA PeJP NA NA +PJ103333 NDMMMHW C40H57N11O11S3 963.3402 NA PeJP NA NA +PJ103334 GCCFYWW C48H53N9O9S2 963.3408 NA PeJP NA NA +PJ103335 GDDDEEER C35H53N11O21 963.3418 NA PeJP NA NA +PJ103336 SSPTTCCEH C36H57N11O16S2 963.3426 NA PeJP NA NA +PJ103337 SSNEEMMH C36H57N11O16S2 963.3427 NA PeJP NA NA +PJ103338 PDDDMWW C44H53N9O14S 963.3433 NA PeJP NA NA +PJ103339 GTCCMMRY C37H61N11O11S4 963.3435 NA PeJP NA NA +PJ103340 GCNEMHHH C37H53N15O12S2 963.344 NA PeJP NA NA +PJ103341 CCQMFFW C45H57N9O9S3 963.3442 NA PeJP NA NA +PJ103342 NEEEEEW C40H53N9O19 963.3458 NA PeJP NA NA +PJ103343 CNNNNDDR C33H53N15O17S 963.3465 NA PeJP NA NA +PJ103344 SSSTCMYW C41H57N9O14S2 963.3467 NA PeJP NA NA +PJ103345 SCCNNMHR C34H57N15O12S3 963.3474 NA PeJP NA NA +PJ103346 CCKMMYW C42H61N9O9S4 963.3475 NA PeJP NA NA +PJ103347 PPPCCMMW C42H61N9O9S4 963.3476 NA PeJP NA NA +PJ103348 GCCNHHFF C42H53N13O10S2 963.348 NA PeJP NA NA +PJ103349 SSSSSSEMY C37H57N9O19S 963.3492 NA PeJP NA NA +PJ103350 PDDEYYY C45H53N7O17 963.3498 NA PeJP NA NA +PJ103351 SSSQMMMY C38H61N9O14S3 963.35 NA PeJP NA NA +PJ103352 PPNDEMMM C38H61N9O14S3 963.3501 NA PeJP NA NA +PJ103353 GSSSSCNHW C38H53N13O15S 963.3505 NA PeJP NA NA +PJ103354 GGGGGGGGGDMW C38H53N13O15S 963.3506 NA PeJP NA NA +PJ103355 ACCKMMMF C39H65N9O9S5 963.3509 NA PeJP NA NA +PJ103356 CCEMHRW C39H57N13O10S3 963.3514 NA PeJP NA NA +PJ103357 SNNDDDER C34H53N13O20 963.353 NA PeJP NA NA +PJ103358 GGGGGGGGGSSEE C34H53N13O20 963.3531 NA PeJP NA NA +PJ103359 TEEEMYY C42H57N7O17S 963.3532 NA PeJP NA NA +PJ103360 SSCDEMHR C35H57N13O15S2 963.3539 NA PeJP NA NA +PJ103361 PEMMMYY C43H61N7O12S3 963.3541 NA PeJP NA NA +PJ103362 GSPCNDWW C43H53N11O13S 963.3545 NA PeJP NA NA +PJ103363 GGDDMHFW C43H53N11O13S 963.3546 NA PeJP NA NA +PJ103364 SPCCMMHR C36H61N13O10S4 963.3548 NA PeJP NA NA +PJ103365 GCCDHHHR C36H53N17O11S2 963.3552 NA PeJP NA NA +PJ103366 ACMMHWW C44H57N11O8S3 963.3554 NA PeJP NA NA +PJ103367 DDDEERW C39H53N11O18 963.357 NA PeJP NA NA +PJ103368 GGGSNEEEW C39H53N11O18 963.3571 NA PeJP NA NA +PJ103369 GSSEMMHW C40H57N11O13S2 963.3579 NA PeJP NA NA +PJ103370 GSCYYWW C48H53N9O11S 963.3586 NA PeJP NA NA +PJ103371 MMMMHHF C41H61N11O8S4 963.3588 NA PeJP NA NA +MJ098826 Antibiotic SQ 28504 C35H61N7O22S 963.359037 NA MeJP NA NA +PJ103372 CNMHHHW C41H53N15O9S2 963.3593 NA PeJP NA NA +PJ103373 SPDDDEMR C36H57N11O18S 963.3604 NA PeJP NA NA +PJ103374 GEEEEWW C44H53N9O16 963.3611 NA PeJP NA NA +PJ103375 SSSCMMRY C37H61N11O13S3 963.3613 NA PeJP NA NA +PJ103376 SSNDMHHH C37H53N15O14S 963.3618 NA PeJP NA NA +PJ103377 GNMMYYW C45H57N9O11S2 963.3619 NA PeJP NA NA +PJ103378 PCCCKHHH C38H57N15O9S3 963.3626 NA PeJP NA NA +PJ103379 SSSNNNNNN C33H53N15O19 963.3642 NA PeJP NA NA +PJ103380 GGGGSSSNNNN C33H53N15O19 963.3643 NA PeJP NA NA +PJ103381 GSPEEEMW C41H57N9O16S 963.3644 NA PeJP NA NA +PJ103382 GGPPDDEMF C41H57N9O16S 963.3645 NA PeJP NA NA +PJ103383 GSSSCCQHR C34H57N15O14S2 963.3651 NA PeJP NA NA +PJ103384 GGGGGGGSPCCR C34H57N15O14S2 963.3652 NA PeJP NA NA +PJ103385 GPPDMMMW C42H61N9O11S3 963.3653 NA PeJP NA NA +PJ103386 CNNNQWW C42H53N13O12S 963.3658 NA PeJP NA NA +PJ103387 GDKEEEEE C37H57N9O21 963.3669 NA PeJP NA NA +PJ103388 ADDKEEEE C37H57N9O21 963.367 NA PeJP NA NA +PJ103389 GSSSTTMMY C38H61N9O16S2 963.3678 NA PeJP NA NA +PJ103390 GSNDDDRW C38H53N13O17 963.3683 NA PeJP NA NA +PJ103391 PDEMFYY C46H57N7O14S 963.3685 NA PeJP NA NA +PJ103392 GTCKMMMY C39H65N9O11S4 963.3687 NA PeJP NA NA +PJ103393 APCCNDRW C39H57N13O12S2 963.3691 NA PeJP NA NA +PJ103394 GPCCNERW C39H57N13O12S2 963.3692 NA PeJP NA NA +PJ103395 GCEHFWW C47H53N11O10S 963.3698 NA PeJP NA NA +PJ103396 VCNNDDER C35H57N13O17S 963.3716 NA PeJP NA NA +PJ103397 GNNDEEMR C35H57N13O17S 963.3717 NA PeJP NA NA +PJ103398 VEEMMYY C43H61N7O14S2 963.3718 NA PeJP NA NA +PJ103399 SNNEEWW C43H53N11O15 963.3723 NA PeJP NA NA +PJ103400 GSDMMMHR C36H61N13O12S3 963.3725 NA PeJP NA NA +PJ103401 SSMMHWW C44H57N11O10S2 963.3732 NA PeJP NA NA +PJ103402 SSSTEMHW C40H57N11O15S 963.3757 NA PeJP NA NA +PJ103403 EEEWWW C48H53N9O13 963.3763 NA PeJP NA NA +PJ103404 TQMMMHW C41H61N11O10S3 963.3765 NA PeJP NA NA +PJ103405 GAPPCCCKW C41H61N11O10S3 963.3766 NA PeJP NA NA +PJ103406 GSTCHHHW C41H53N15O11S 963.377 NA PeJP NA NA +PJ103407 GSEEEEER C36H57N11O20 963.3782 NA PeJP NA NA +PJ103408 APDDEMMR C37H61N11O15S2 963.379 NA PeJP NA NA +PJ103409 GPDEEMMR C37H61N11O15S2 963.3791 NA PeJP NA NA +PJ103410 NNNNNNNF C37H53N15O16 963.3795 NA PeJP NA NA +PJ103411 GGGGGGGGGGGGNF C37H53N15O16 963.3796 NA PeJP NA NA +PJ103412 SPEEMWW C45H57N9O13S 963.3797 NA PeJP NA NA +PJ103413 GVQMMMMH C38H65N11O10S4 963.3799 NA PeJP NA NA +PJ103414 GCCNQHFR C38H57N15O11S2 963.3804 NA PeJP NA NA +PJ103415 CCKMFFW C46H61N9O8S3 963.3806 NA PeJP NA NA +PJ103416 DKEEEEW C41H57N9O18 963.3822 NA PeJP NA NA +PJ103417 GCNDDERR C34H57N15O16S 963.3829 NA PeJP NA NA +PJ103418 TQQMMYY C42H61N9O13S2 963.383 NA PeJP NA NA +PJ103419 AAPEEMMW C42H61N9O13S2 963.3831 NA PeJP NA NA +PJ103420 GSSNNNWW C42H53N13O14 963.3835 NA PeJP NA NA +PJ103421 GGGGGGGSSWW C42H53N13O14 963.3836 NA PeJP NA NA +PJ103422 SCCCQKHR C35H61N15O11S3 963.3838 NA PeJP NA NA +PJ103423 PCCNRWW C43H57N13O9S2 963.3844 NA PeJP NA NA +PJ103424 CHFWWW C51H53N11O7S 963.3851 NA PeJP NA NA +PJ103425 SSSSTTTMY C38H61N9O18S 963.3855 NA PeJP NA NA +PJ103426 GLQEEEEM C38H61N9O18S 963.3856 NA PeJP NA NA +PJ103427 PTEEYYY C46H57N7O16 963.3862 NA PeJP NA NA +PJ103428 SSSKMMMY C39H65N9O13S3 963.3864 NA PeJP NA NA +PJ103429 NNDEMRW C39H57N13O14S 963.3869 NA PeJP NA NA +PJ103430 PPMMYYY C47H61N7O11S2 963.3871 NA PeJP NA NA +PJ103431 GSNEWWW C47H53N11O12 963.3876 NA PeJP NA NA +PJ103432 TCMMHRW C40H61N13O9S3 963.3878 NA PeJP NA NA +PJ103433 EMHHHHH C40H53N17O10S 963.3883 NA PeJP NA NA +MJ098827 Taxol?; N-Debenzoyl, N-tigloyl, 7-O-?-D-xylopyranoside C50H61NO18 963.388864 NA MeJP NA NA +PJ103434 SSNNEEER C35H57N13O19 963.3894 NA PeJP NA NA +PJ103435 SSSEMMHR C36H61N13O14S2 963.3903 NA PeJP NA NA +PJ103436 LEMMMFY C44H65N7O11S3 963.3905 NA PeJP NA NA +PJ103437 SNNNNQHH C36H53N17O15 963.3907 NA PeJP NA NA +PJ103438 GNNDDHHR C36H53N17O15 963.3908 NA PeJP NA NA +PJ103439 GQQEMWW C44H57N11O12S 963.3909 NA PeJP NA NA +PJ103440 QMMMMHR C37H65N13O9S4 963.3911 NA PeJP NA NA +PJ103441 GAMMMMHR C37H65N13O9S4 963.3912 NA PeJP NA NA +PJ103442 GSCMHHHR C37H57N17O10S2 963.3916 NA PeJP NA NA +PJ103443 CHHHHFF C45H53N15O8S 963.3923 NA PeJP NA NA +PJ103444 SEEEERW C40H57N11O17 963.3934 NA PeJP NA NA +PJ103445 GGGGGAAPEEY C40H57N11O17 963.3935 NA PeJP NA NA +PJ103446 PDEMMRW C41H61N11O12S2 963.3943 NA PeJP NA NA +PJ103447 SSSSHHHW C41H53N15O13 963.3948 NA PeJP NA NA +PJ103448 GNMFFYW C49H57N9O10S 963.3949 NA PeJP NA NA +PJ103449 PPCEFWW C49H57N9O10S 963.395 NA PeJP NA NA +PJ103450 AAEEEEMR C37H61N11O17S 963.3968 NA PeJP NA NA +PJ103451 GSSTTYYW C45H57N9O15 963.3974 NA PeJP NA NA +PJ103452 SVEEEWW C45H57N9O15 963.3975 NA PeJP NA NA +PJ103453 SPPDMMMR C38H65N11O12S3 963.3977 NA PeJP NA NA +PJ103454 CNDDRRW C38H57N15O13S 963.3981 NA PeJP NA NA +PJ103455 GGCDDRRW C38H57N15O13S 963.3982 NA PeJP NA NA +PJ103456 PVDMMWW C46H61N9O10S2 963.3983 NA PeJP NA NA +PJ103457 SPDHHWW C46H53N13O11 963.3988 NA PeJP NA NA +PJ103458 SSNDDDRR C34H57N15O18 963.4006 NA PeJP NA NA +PJ103459 GGSSDDDRR C34H57N15O18 963.4007 NA PeJP NA NA +PJ103460 LQEEEMW C42H61N9O15S 963.4008 NA PeJP NA NA +PJ103461 PPDFYYY C50H57N7O13 963.4015 NA PeJP NA NA +PJ103462 APPTMMMW C43H65N9O10S3 963.4017 NA PeJP NA NA +PJ103463 CNNKHYW C43H57N13O11S 963.4021 NA PeJP NA NA +PJ103464 GNDMRWW C43H57N13O11S 963.4022 NA PeJP NA NA +PJ103465 CMMMHRR C36H65N15O8S4 963.4024 NA PeJP NA NA +PJ103466 SNWWWW C51H53N11O9 963.4028 NA PeJP NA NA +PJ103467 ATKEEEEE C38H61N9O20 963.4033 NA PeJP NA NA +PJ103468 APKEEEMM C39H65N9O15S2 963.4042 NA PeJP NA NA +PJ103469 SSSNQQQW C39H57N13O16 963.4046 NA PeJP NA NA +PJ103470 GSSNEERW C39H57N13O16 963.4047 NA PeJP NA NA +PJ103471 PVEMYYY C47H61N7O13S 963.4048 NA PeJP NA NA +PJ103472 PPVQMMMM C40H69N9O10S4 963.4051 NA PeJP NA NA +PJ103473 GSPCQMRW C40H61N13O11S2 963.4055 NA PeJP NA NA +PJ103474 GGGAPPCCFR C40H61N13O11S2 963.4056 NA PeJP NA NA +PJ103475 GPNEHHHH C40H53N17O12 963.406 NA PeJP NA NA +PJ103476 QQMWWW C48H57N11O9S 963.4062 NA PeJP NA NA +PJ103477 DEEEMRR C36H61N13O16S 963.408 NA PeJP NA NA +PJ103478 GGGGATEEMR C36H61N13O16S 963.4081 NA PeJP NA NA +PJ103479 SNDKEWW C44H57N11O14 963.4087 NA PeJP NA NA +PJ103480 GTTMMMHR C37H65N13O11S3 963.4089 NA PeJP NA NA +PJ103481 SSTCHHHR C37H57N17O12S 963.4094 NA PeJP NA NA +PJ103482 VNMMHFW C45H61N11O9S2 963.4095 NA PeJP NA NA +PJ103483 PCNKMWW C45H61N11O9S2 963.4096 NA PeJP NA NA +PJ103484 GNQHHWW C45H53N15O10 963.41 NA PeJP NA NA +PJ103485 STTTTMHW C41H61N11O14S 963.412 NA PeJP NA NA +PJ103486 VDEEMRW C41H61N11O14S 963.4121 NA PeJP NA NA +MJ098828 Lyciumin; Lyciumin C C49H57N9O12 963.412668 NA MeJP NA NA +PJ103487 SPPEYWW C49H57N9O12 963.4127 NA PeJP NA NA +PJ103488 GGGCNNMRR C34H61N17O12S2 963.4128 NA PeJP NA NA +PJ103489 TKMMMHW C42H65N11O9S3 963.4129 NA PeJP NA NA +PJ103490 PCEHHRW C42H57N15O10S 963.4134 NA PeJP NA NA +PJ103491 SSTTTTTEH C37H61N11O19 963.4145 NA PeJP NA NA +PJ103492 ATTEEEER C37H61N11O19 963.4146 NA PeJP NA NA +PJ103493 APTEEMMR C38H65N11O14S2 963.4154 NA PeJP NA NA +PJ103494 GGGGGGVLEMM C38H65N11O14S2 963.4155 NA PeJP NA NA +PJ103495 SSSNNNRW C38H57N15O15 963.4159 NA PeJP NA NA +PJ103496 ALEEMWW C46H61N9O12S 963.4161 NA PeJP NA NA +PJ103497 APPMMMMR C39H69N11O9S4 963.4163 NA PeJP NA NA +PJ103498 GSPCCRRW C39H61N15O10S2 963.4168 NA PeJP NA NA +PJ103499 CQRWWW C47H57N13O8S 963.4174 NA PeJP NA NA +PJ103500 GTTLEEEW C42H61N9O17 963.4186 NA PeJP NA NA +PJ103501 GSNDEMRR C35H61N15O15S 963.4193 NA PeJP NA NA +PJ103502 PPTTTMMW C43H65N9O12S2 963.4194 NA PeJP NA NA +PJ103503 GPTLEMMW C43H65N9O12S2 963.4195 NA PeJP NA NA +PJ103504 SSNERWW C43H57N13O13 963.4199 NA PeJP NA NA +PJ103505 GGGGGGGGGVFW C43H57N13O13 963.42 NA PeJP NA NA +PJ103506 PPMFFYY C51H61N7O10S 963.4201 NA PeJP NA NA +PJ103507 GGGPCMMRR C36H65N15O10S3 963.4202 NA PeJP NA NA +PJ103508 GMMHFRW C44H61N13O8S2 963.4208 NA PeJP NA NA +PJ103509 PNHHHHW C44H53N17O9 963.4213 NA PeJP NA NA +PJ103510 GSPTTLEEM C39H65N9O17S 963.4219 NA PeJP NA NA +PJ103511 GLKEEEEM C39H65N9O17S 963.422 NA PeJP NA NA +PJ103512 VVEEYYY C47H61N7O15 963.4226 NA PeJP NA NA +PJ103513 PPTKEMMM C40H69N9O12S3 963.4228 NA PeJP NA NA +PJ103514 SQQEMRW C40H61N13O13S 963.4233 NA PeJP NA NA +PJ103515 PLMMFYY C48H65N7O10S2 963.4235 NA PeJP NA NA +PJ103516 GSDKWWW C48H57N11O11 963.4239 NA PeJP NA NA +PJ103517 GGGAAPYWW C48H57N11O11 963.424 NA PeJP NA NA +PJ103518 CQHHHFR C41H57N17O9S 963.4246 NA PeJP NA NA +PJ103519 SSNDKEER C36H61N13O18 963.4258 NA PeJP NA NA +PJ103520 SSPQQMMR C37H65N13O13S2 963.4266 NA PeJP NA NA +PJ103521 STTTMMHR C37H65N13O13S2 963.4267 NA PeJP NA NA +PJ103522 LLMMMYY C45H69N7O10S3 963.4268 NA PeJP NA NA +PJ103523 DDEHHRR C37H57N17O14 963.4271 NA PeJP NA NA +PJ103524 GGGGGTEHHR C37H57N17O14 963.4272 NA PeJP NA NA +PJ103525 GQKEMWW C45H61N11O11S 963.4273 NA PeJP NA NA +PJ103526 KMMMMHR C38H69N13O8S4 963.4275 NA PeJP NA NA +PJ103527 GNFFFFW C53H57N9O9 963.428 NA PeJP NA NA +PJ103528 GSTQKEEW C41H61N11O16 963.4298 NA PeJP NA NA +PJ103529 GSCDDRRR C34H61N17O14S 963.4305 NA PeJP NA NA +PJ103530 GSPQKMMW C42H65N11O11S2 963.4307 NA PeJP NA NA +PJ103531 NNNNFRW C42H57N15O12 963.4311 NA PeJP NA NA +PJ103532 GGNNNFRW C42H57N15O12 963.4312 NA PeJP NA NA +PJ103533 PPCLYWW C50H61N9O9S 963.4313 NA PeJP NA NA +PJ103534 APCCCRRR C35H65N17O9S3 963.4314 NA PeJP NA NA +PJ103535 GTLEEEMR C38H65N11O16S 963.4332 NA PeJP NA NA +PJ103536 TTLEEWW C46H61N9O14 963.4338 NA PeJP NA NA +PJ103537 GAAPPEEFF C46H61N9O14 963.4339 NA PeJP NA NA +PJ103538 GPLEMMMR C39H69N11O11S3 963.4341 NA PeJP NA NA +PJ103539 SNDMRRW C39H61N15O12S 963.4345 NA PeJP NA NA +PJ103540 GGGGGAALMHH C39H61N15O12S 963.4346 NA PeJP NA NA +PJ103541 PTLMMWW C47H65N9O9S2 963.4347 NA PeJP NA NA +PJ103542 GSSRWWW C47H57N13O10 963.4352 NA PeJP NA NA +PJ103543 SSSNEERR C35H61N15O17 963.437 NA PeJP NA NA +PJ103544 LKEEEMW C43H65N9O14S 963.4372 NA PeJP NA NA +PJ103545 PPVYYYY C51H61N7O12 963.4378 NA PeJP NA NA +MJ098829 Antibiotic CBS 154-94A C51H61N7O12 963.43782 NA MeJP NA NA +PJ103546 PVEFFYY C51H61N7O12 963.4379 NA PeJP NA NA +PJ103547 GPVLMMMW C44H69N9O9S3 963.4381 NA PeJP NA NA +PJ103548 GTQMRWW C44H61N13O10S 963.4385 NA PeJP NA NA +PJ103549 GGATMRWW C44H61N13O10S 963.4386 NA PeJP NA NA +PJ103550 AAHFFWW C52H57N11O8 963.4392 NA PeJP NA NA +PJ103551 STLKEEEE C39H65N9O19 963.4397 NA PeJP NA NA +PJ103552 SPLKEEMM C40H69N9O14S2 963.4406 NA PeJP NA NA +PJ103553 GSTTQERW C40H61N13O15 963.441 NA PeJP NA NA +PJ103554 GSSDKERW C40H61N13O15 963.4411 NA PeJP NA NA +PJ103555 VLEMFYY C48H65N7O12S 963.4412 NA PeJP NA NA +PJ103556 PPVKMMMM C41H73N9O9S4 963.4415 NA PeJP NA NA +PJ103557 VNQMMRW C41H65N13O10S2 963.4419 NA PeJP NA NA +PJ103558 SNQHHRW C41H57N17O11 963.4424 NA PeJP NA NA +PJ103559 QKMWWW C49H61N11O8S 963.4426 NA PeJP NA NA +PJ103560 GSQKEEMR C37H65N13O15S 963.4444 NA PeJP NA NA +PJ103561 STQKEWW C45H61N11O13 963.4451 NA PeJP NA NA +PJ103562 GPNKMMMR C38H69N13O10S3 963.4453 NA PeJP NA NA +PJ103563 QQQMHHR C38H61N17O11S 963.4458 NA PeJP NA NA +PJ103564 PPMMFRW C46H65N11O8S2 963.4459 NA PeJP NA NA +PJ103565 GNKHHWW C46H57N15O9 963.4464 NA PeJP NA NA +PJ103566 GSSSSNNRR C34H61N17O16 963.4483 NA PeJP NA NA +PJ103567 TLEEMRW C42H65N11O13S 963.4484 NA PeJP NA NA +PJ103568 GGKKEEMW C42H65N11O13S 963.4485 NA PeJP NA NA +PJ103569 APLEYWW C50H61N9O11 963.4491 NA PeJP NA NA +PJ103570 GGGGACCKRR C35H65N17O11S2 963.4492 NA PeJP NA NA +PJ103571 PLMMMRW C43H69N11O8S3 963.4493 NA PeJP NA NA +PJ103572 GTCRRWW C43H61N15O9S 963.4498 NA PeJP NA NA +PJ103573 LHHWWW C51H57N13O7 963.4504 NA PeJP NA NA +PJ103574 STTLEEER C38H65N11O18 963.4509 NA PeJP NA NA +PJ103575 GGSTKKEEE C38H65N11O18 963.451 NA PeJP NA NA +PJ103576 GVLEEMMR C39H69N11O13S2 963.4518 NA PeJP NA NA +PJ103577 GSSSERRW C39H61N15O14 963.4523 NA PeJP NA NA +PJ103578 PCKKYYY C47H65N9O11S 963.4524 NA PeJP NA NA +PJ103579 SLLEMWW C47H65N9O11S 963.4525 NA PeJP NA NA +PJ103580 VCNMRRW C40H65N15O9S2 963.4531 NA PeJP NA NA +PJ103581 GQMMRRW C40H65N15O9S2 963.4532 NA PeJP NA NA +PJ103582 GSPHHHHR C40H57N19O10 963.4536 NA PeJP NA NA +PJ103583 CKRWWW C48H61N13O7S 963.4538 NA PeJP NA NA +PJ103584 STTTTKYY C43H65N9O16 963.4549 NA PeJP NA NA +PJ103585 SSTLLEEW C43H65N9O16 963.455 NA PeJP NA NA +PJ103586 SSVCQERR C36H65N15O14S 963.4556 NA PeJP NA NA +PJ103587 GSTQEMRR C36H65N15O14S 963.4557 NA PeJP NA NA +PJ103588 AALLEMMW C44H69N9O11S2 963.4558 NA PeJP NA NA +PJ103589 SSDKRWW C44H61N13O12 963.4563 NA PeJP NA NA +PJ103590 PLMFFFY C52H65N7O9S 963.4565 NA PeJP NA NA +PJ103591 NNMHHRR C37H61N19O10S 963.457 NA PeJP NA NA +PJ103592 LHHHHHF C45H57N17O8 963.4577 NA PeJP NA NA +PJ103593 SVLKEEEM C40H69N9O16S 963.4583 NA PeJP NA NA +PJ103594 TLLEYYY C48H65N7O14 963.459 NA PeJP NA NA +PJ103595 PVVKEMMM C41H73N9O11S3 963.4592 NA PeJP NA NA +PJ103596 SQKEMRW C41H65N13O12S 963.4597 NA PeJP NA NA +PJ103597 LLMMFFY C49H69N7O9S2 963.4599 NA PeJP NA NA +PJ103598 GTTKWWW C49H61N11O10 963.4603 NA PeJP NA NA +PJ103599 CCDRRRR C34H65N19O10S2 963.4604 NA PeJP NA NA +PJ103600 CKHHHFR C42H61N17O8S 963.461 NA PeJP NA NA +PJ103601 SSTQKEER C37H65N13O17 963.4622 NA PeJP NA NA +PJ103602 LEEMMRR C38H69N13O12S2 963.463 NA PeJP NA NA +PJ103603 AAQKEMMR C38H69N13O12S2 963.4631 NA PeJP NA NA +PJ103604 NNNQRRY C38H61N17O13 963.4635 NA PeJP NA NA +PJ103605 GGGGGGGGPVHR C38H61N17O13 963.4636 NA PeJP NA NA +MJ098830 WWamide 1 C46H65N11O10S 963.463658 NA MeJP NA NA +PJ103606 GKKEMWW C46H65N11O10S 963.4637 NA PeJP NA NA +PJ103607 GCMRRRW C39H65N17O8S2 963.4644 NA PeJP NA NA +PJ103608 GSTKKEEW C42H65N11O15 963.4662 NA PeJP NA NA +PJ103609 GSSDMRRR C35H65N17O13S 963.4669 NA PeJP NA NA +PJ103610 VLEMMRW C43H69N11O10S2 963.4671 NA PeJP NA NA +PJ103611 SSSRRWW C43H61N15O11 963.4675 NA PeJP NA NA +PJ103612 GGGEFRRW C43H61N15O11 963.4676 NA PeJP NA NA +PJ103613 PVVMFWW C51H65N9O8S 963.4677 NA PeJP NA NA +PJ103614 SSLLEEMR C39H69N11O15S 963.4696 NA PeJP NA NA +PJ103615 PLKEEYW C47H65N9O13 963.4702 NA PeJP NA NA +PJ103616 SPVLMMMR C40H73N11O10S3 963.4704 NA PeJP NA NA +PJ103617 GAAPKKMMM C40H73N11O10S3 963.4705 NA PeJP NA NA +PJ103618 STQMRRW C40H65N15O11S 963.4709 NA PeJP NA NA +PJ103619 VVLMMWW C48H69N9O8S2 963.4711 NA PeJP NA NA +PJ103620 AAQFRWW C48H61N13O9 963.4716 NA PeJP NA NA +MJ098831 Roseothricin A C36H65N15O16 963.473371 NA MeJP NA NA +PJ103621 SSSDKERR C36H65N15O16 963.4734 NA PeJP NA NA +PJ103622 ATTLLEMW C44H69N9O13S 963.4736 NA PeJP NA NA +PJ103623 PVLFYYY C52H65N7O11 963.4742 NA PeJP NA NA +PJ103624 NKEMMRR C37H69N15O11S2 963.4743 NA PeJP NA NA +PJ103625 GSSQHHRR C37H61N19O12 963.4748 NA PeJP NA NA +PJ103626 GTKMRWW C45H65N13O9S 963.4749 NA PeJP NA NA +PJ103627 SSSSLLLEE C40H69N9O18 963.4761 NA PeJP NA NA +PJ103628 ALLKEEMM C41H73N9O13S2 963.477 NA PeJP NA NA +PJ103629 GSTTKERW C41H65N13O14 963.4774 NA PeJP NA NA +PJ103630 GGGGGVLERY C41H65N13O14 963.4775 NA PeJP NA NA +PJ103631 VLLMYYY C49H69N7O11S 963.4776 NA PeJP NA NA +PJ103632 VNKMMRW C42H69N13O9S2 963.4783 NA PeJP NA NA +PJ103633 SNKHHRW C42H61N17O10 963.4788 NA PeJP NA NA +PJ103634 KKMWWW C50H65N11O7S 963.479 NA PeJP NA NA +PJ103635 GSKKEEMR C38H69N13O14S 963.4808 NA PeJP NA NA +PJ103636 STKKEWW C46H65N11O12 963.4814 NA PeJP NA NA +PJ103637 TTDKKWW C46H65N11O12 963.4815 NA PeJP NA NA +PJ103638 APCKKMMR C39H73N13O9S3 963.4817 NA PeJP NA NA +PJ103639 STCRRRW C39H65N17O10S 963.4821 NA PeJP NA NA +PJ103640 GGPCRRRY C39H65N17O10S 963.4822 NA PeJP NA NA +PJ103641 NFRRWW C47H61N15O8 963.4828 NA PeJP NA NA +PJ103642 SSSSERRR C35H65N17O15 963.4846 NA PeJP NA NA +PJ103643 DKKKEMW C43H69N11O12S 963.4848 NA PeJP NA NA +PJ103644 GGGGGGVLLMF C43H69N11O12S 963.4849 NA PeJP NA NA +PJ103645 SPLLYWW C51H65N9O10 963.4855 NA PeJP NA NA +PJ103646 VVMHHRW C44H65N15O8S 963.4862 NA PeJP NA NA +PJ103647 SSKKKEEE C39H69N11O17 963.4873 NA PeJP NA NA +PJ103648 ATLLEMMR C40H73N11O12S2 963.4882 NA PeJP NA NA +PJ103649 GSTTTRRW C40H65N15O13 963.4887 NA PeJP NA NA +PJ103650 CLKKFYY C48H69N9O10S 963.4888 NA PeJP NA NA +PJ103651 AAPLLMYW C48H69N9O10S 963.4889 NA PeJP NA NA +PJ103652 GKMMRRW C41H69N15O8S2 963.4895 NA PeJP NA NA +PJ103653 LQHHHHR C41H61N19O9 963.49 NA PeJP NA NA +PJ103654 TTTTLLEW C44H69N9O15 963.4913 NA PeJP NA NA +PJ103655 PVVTKEEY C44H69N9O15 963.4914 NA PeJP NA NA +PJ103656 GSTKEMRR C37H69N15O13S 963.492 NA PeJP NA NA +PJ103657 GGGGSSKKMR C37H69N15O13S 963.4921 NA PeJP NA NA +PJ103658 GTLLLMMW C45H73N9O10S2 963.4922 NA PeJP NA NA +PJ103659 STTKRWW C45H65N13O11 963.4927 NA PeJP NA NA +PJ103660 LLMFFFF C53H69N7O8S 963.4929 NA PeJP NA NA +PJ103661 CQKHHRR C38H65N19O9S 963.4934 NA PeJP NA NA +PJ103662 TTLLKEEM C41H73N9O15S 963.4947 NA PeJP NA NA +PJ103663 PTLLKMMM C42H77N9O10S3 963.4956 NA PeJP NA NA +PJ103664 SKKEMRW C42H69N13O11S 963.4961 NA PeJP NA NA +PJ103665 GPKKYWW C50H65N11O9 963.4967 NA PeJP NA NA +PJ103666 SCMRRRR C35H69N19O9S2 963.4968 NA PeJP NA NA +PJ103667 ASTTTTLNR C38H69N13O16 963.4985 NA PeJP NA NA +PJ103668 SSTKKEER C38H69N13O16 963.4986 NA PeJP NA NA +PJ103669 AAKKEMMR C39H73N13O11S2 963.4994 NA PeJP NA NA +PJ103670 GGGGAKKKMM C39H73N13O11S2 963.4995 NA PeJP NA NA +PJ103671 GQERRRY C39H65N17O12 963.4999 NA PeJP NA NA +PJ103672 SVKKMWW C47H69N11O9S 963.5001 NA PeJP NA NA +PJ103673 SSSLKKEW C43H69N11O14 963.5026 NA PeJP NA NA +PJ103674 GSTTMRRR C36H69N17O12S 963.5033 NA PeJP NA NA +PJ103675 LQKKMMW C44H73N11O9S2 963.5035 NA PeJP NA NA +PJ103676 GVQRRYW C44H65N15O10 963.5039 NA PeJP NA NA +PJ103677 GPTTTTKKM C40H73N11O14S 963.5059 NA PeJP NA NA +PJ103678 TTTLLEMR C40H73N11O14S 963.506 NA PeJP NA NA +PJ103679 LLLQEYW C48H69N9O12 963.5066 NA PeJP NA NA +PJ103680 GLLLMMMR C41H77N11O9S3 963.5068 NA PeJP NA NA +PJ103681 STKMRRW C41H69N15O10S 963.5073 NA PeJP NA NA +PJ103682 AAKFRWW C49H65N13O8 963.508 NA PeJP NA NA +PJ103683 SSTTKERR C37H69N15O15 963.5098 NA PeJP NA NA +PJ103684 STTLLLMW C45H73N9O12S 963.51 NA PeJP NA NA +MJ098832 PD 156252 C53H69N7O10 963.510591 NA MeJP NA NA +PJ103685 VLLFFYY C53H69N7O10 963.5106 NA PeJP NA NA +PJ103686 DKKMMRR C38H73N15O10S2 963.5107 NA PeJP NA NA +PJ103687 PNEHRRR C38H65N19O11 963.5111 NA PeJP NA NA +PJ103688 GGPEHRRR C38H65N19O11 963.5112 NA PeJP NA NA +PJ103689 PCKKFRW C46H69N13O8S 963.5113 NA PeJP NA NA +PJ103690 SSTTTLLLE C41H73N9O17 963.5125 NA PeJP NA NA +PJ103691 SVVVVVTMM C42H77N9O12S2 963.5133 NA PeJP NA NA +PJ103692 SLLLKEMM C42H77N9O12S2 963.5134 NA PeJP NA NA +PJ103693 SSSTLKRW C42H69N13O13 963.5138 NA PeJP NA NA +PJ103694 GGGGGGAPPPLK C42H69N13O13 963.5139 NA PeJP NA NA +PJ103695 CLKKMRW C43H73N13O8S2 963.5147 NA PeJP NA NA +PJ103696 QRRRYW C43H65N17O9 963.5152 NA PeJP NA NA +PJ103697 ATTKKEMR C39H73N13O13S 963.5172 NA PeJP NA NA +PJ103698 VVLERYW C47H69N11O11 963.5178 NA PeJP NA NA +PJ103699 GGLKKEFW C47H69N11O11 963.5179 NA PeJP NA NA +PJ103700 AQMFRRR C40H69N17O9S 963.5185 NA PeJP NA NA +MJ098833 Phenelfamycin; Phenelfamycin C, O-De-(phenylacetyl) C50H77NO17 963.51915 NA MeJP NA NA +PJ103701 SSTTTRRR C36H69N17O14 963.521 NA PeJP NA NA +PJ103702 GTTLKKMW C44H73N11O11S 963.5212 NA PeJP NA NA +PJ103703 ALLLYWW C52H69N9O9 963.5219 NA PeJP NA NA +PJ103704 TTTKKKEE C40H73N11O16 963.5237 NA PeJP NA NA +PJ103705 STLLLMMR C41H77N11O11S2 963.5246 NA PeJP NA NA +PJ103706 TLQQRRY C41H69N15O12 963.525 NA PeJP NA NA +PJ103707 VNKERRY C41H69N15O12 963.5251 NA PeJP NA NA +PJ103708 AALLLMFW C49H73N9O9S 963.5252 NA PeJP NA NA +PJ103709 GPHRRRW C42H65N19O8 963.5264 NA PeJP NA NA +PJ103710 GLLLKEEY C45H73N9O14 963.5277 NA PeJP NA NA +PJ103711 PPPVVVVEE C45H73N9O14 963.5278 NA PeJP NA NA +PJ103712 SSSLKMRR C38H73N15O12S 963.5284 NA PeJP NA NA +PJ103713 PVVLKMMF C46H77N9O9S2 963.5286 NA PeJP NA NA +PJ103714 SPKKRYW C46H69N13O10 963.5291 NA PeJP NA NA +PJ103715 ACFRRRR C39H69N19O8S 963.5298 NA PeJP NA NA +PJ103716 SSSTLLLLM C42H77N9O14S 963.5311 NA PeJP NA NA +PJ103717 VVLLKMMM C43H81N9O9S3 963.532 NA PeJP NA NA +PJ103718 GSCKKKKW C43H73N13O10S 963.5325 NA PeJP NA NA +PJ103719 GLKKFWW C51H69N11O8 963.5331 NA PeJP NA NA +PJ103720 TTTTKKER C39H73N13O15 963.5349 NA PeJP NA NA +PJ103721 GGASSTTKKK C39H73N13O15 963.535 NA PeJP NA NA +PJ103722 GTLKKMMR C40H77N13O10S2 963.5358 NA PeJP NA NA +PJ103723 GKERRRY C40H69N17O11 963.5363 NA PeJP NA NA +PJ103724 VLLMFRW C48H73N11O8S 963.5365 NA PeJP NA NA +PJ103725 STTTLKKW C44H73N11O13 963.539 NA PeJP NA NA +PJ103726 LKKKMMW C45H77N11O8S2 963.5398 NA PeJP NA NA +PJ103727 GVKRRYW C45H69N15O9 963.5403 NA PeJP NA NA +PJ103728 STLKKKEM C41H77N11O13S 963.5423 NA PeJP NA NA +PJ103729 LLLKEYW C49H73N9O11 963.543 NA PeJP NA NA +PJ103730 VQKMFRR C42H73N15O9S 963.5437 NA PeJP NA NA +PJ103731 TTTTTKRR C38H73N15O14 963.5462 NA PeJP NA NA +PJ103732 SPLLLKMY C46H77N9O11S 963.5464 NA PeJP NA NA +PJ103733 ACCKKKKR C39H77N15O9S2 963.5471 NA PeJP NA NA +PJ103734 GTRRRRY C39H69N19O10 963.5475 NA PeJP NA NA +PJ103735 TTTTTTILL C42H77N9O16 963.5488 NA PeJP NA NA +PJ103736 TTTTTTLLL C42H77N9O16 963.5489 NA PeJP NA NA +PJ103737 LQKKERY C43H73N13O12 963.5502 NA PeJP NA NA +PJ103738 KRRRYW C44H69N17O8 963.5515 NA PeJP NA NA +PJ103739 PPPRRRW C44H69N17O8 963.5516 NA PeJP NA NA +PJ103740 STTLKKMR C40H77N13O12S 963.5536 NA PeJP NA NA +PJ103741 TLLLRYW C48H73N11O10 963.5542 NA PeJP NA NA +PJ103742 AKMFRRR C41H73N17O8S 963.5549 NA PeJP NA NA +PJ103743 GVLLLMRY C45H77N11O10S 963.5576 NA PeJP NA NA +PJ103744 SPHRRRR C38H69N21O9 963.5588 NA PeJP NA NA +PJ103745 SSSTTLLKK C41H77N11O15 963.5601 NA PeJP NA NA +PJ103746 SVLKKKMM C42H81N11O10S2 963.561 NA PeJP NA NA +PJ103747 VDKKRRY C42H73N15O11 963.5614 NA PeJP NA NA +PJ103748 PPPVDKRR C42H73N15O11 963.5615 NA PeJP NA NA +PJ103749 SVLLLKEY C46H77N9O13 963.5641 NA PeJP NA NA +PJ103750 SSCKKKKR C39H77N15O11S 963.5648 NA PeJP NA NA +PJ103751 ALKKRYW C47H73N13O9 963.5655 NA PeJP NA NA +PJ103752 LLLMRRY C44H77N13O9S 963.5688 NA PeJP NA NA +PJ103753 GSSTTKKKK C40H77N13O14 963.5713 NA PeJP NA NA +PJ103754 ACKKKKKM C41H81N13O9S2 963.5722 NA PeJP NA NA +PJ103755 SVKRRRY C41H73N17O10 963.5727 NA PeJP NA NA +PJ103756 SSLLLLRY C45H77N11O12 963.5754 NA PeJP NA NA +PJ103757 PLKKHRW C46H73N15O8 963.5767 NA PeJP NA NA +PJ103758 APLLLKFY C50H77N9O10 963.5794 NA PeJP NA NA +PJ103759 VKKMFRR C43H77N15O8S 963.5801 NA PeJP NA NA +PJ103760 ALLLLKMY C47H81N9O10S 963.5828 NA PeJP NA NA +PJ103761 VLQHRRR C40H73N19O9 963.5839 NA PeJP NA NA +PJ103762 LKKKERY C44H77N13O11 963.5866 NA PeJP NA NA +PJ103763 SSKKKKKM C41H81N13O11S 963.59 NA PeJP NA NA +PJ103764 VLKKKYW C49H77N11O9 963.5906 NA PeJP NA NA +PJ103765 GLLKKKMF C46H81N11O9S 963.594 NA PeJP NA NA +PJ103766 ALHRRRR C39H73N21O8 963.5952 NA PeJP NA NA +PJ103767 TLKKRRY C43H77N15O10 963.5978 NA PeJP NA NA +PJ103768 TTLLLLKY C47H81N9O12 963.6005 NA PeJP NA NA +PJ103769 LLLFFRR C48H77N13O8 963.6019 NA PeJP NA NA +PJ103770 GPPLLRRR C42H77N17O9 963.6091 NA PeJP NA NA +PJ103771 ATLLKKKY C46H81N11O11 963.6117 NA PeJP NA NA +PJ103772 VLLLLKEH C46H81N11O11 963.6118 NA PeJP NA NA +PJ103773 PPLLLLLW C51H81N9O9 963.6158 NA PeJP NA NA +PJ103774 VLKHRRR C41H77N19O8 963.6203 NA PeJP NA NA +PJ103775 AAKKKKKY C45H81N13O10 963.623 NA PeJP NA NA +PJ103776 PPVVLKRR C44H81N15O9 963.6342 NA PeJP NA NA +PJ103777 SPPVLLLLL C48H85N9O11 963.6369 NA PeJP NA NA +PJ103778 GPPVLLLKK C47H85N11O10 963.6481 NA PeJP NA NA +PJ103779 PPLLLKKR C46H85N13O9 963.6594 NA PeJP NA NA +MJ098834 Peptidolipins; Peptidolipin NA C50H89N7O11 963.662006 NA MeJP NA NA +PJ103780 GPLLLLLLL C49H89N9O10 963.6733 NA PeJP NA NA +MJ098835 1-O-(2-Aminoethylphospho)-2,3-bis(5,9,19-hexacosatrienoyl)glycerol, 19,19',20,20'-Tetrahydro C57H106NO8P 963.765605 NA MeJP NA NA +MJ098836 Mallotannin B C40H36O28 964.13931 NA MeJP NA NA +MJ098837 Rhoipteleanin F C40H36O28 964.13931 NA MeJP NA NA +PJ103781 SCCCCCNDD C30H48N10O16S5 964.1854 NA PeJP NA NA +PJ103782 PCCCCCCCQ C31H52N10O11S7 964.1862 NA PeJP NA NA +PJ103783 GAPCCCCCCC C31H52N10O11S7 964.1863 NA PeJP NA NA +PJ103784 GCCCCCNEM C31H52N10O13S6 964.204 NA PeJP NA NA +PJ103785 GCCCCCCDR C30H52N12O12S6 964.2152 NA PeJP NA NA +PJ103786 CCCCCNMW C35H52N10O10S6 964.2193 NA PeJP NA NA +PJ103787 SSCCCCCQE C31H52N10O15S5 964.2217 NA PeJP NA NA +PJ103788 SSCCCCNDM C31H52N10O15S5 964.2218 NA PeJP NA NA +PJ103789 PCCCCCCCK C32H56N10O10S7 964.2226 NA PeJP NA NA +PJ103790 CCCDDDEY C35H48N8O18S3 964.2249 NA PeJP NA NA +PJ103791 CCCDEMMM C33H56N8O13S6 964.2291 NA PeJP NA NA +PJ103792 GSTCCCCCW C35H52N10O12S5 964.237 NA PeJP NA NA +PJ103793 GSSSSCCCCE C31H52N10O17S4 964.2395 NA PeJP NA NA +PJ103794 GSCCCCQMM C32H56N10O12S6 964.2404 NA PeJP NA NA +PJ103795 CCCDDEMF C36H52N8O15S4 964.2435 NA PeJP NA NA +PJ103796 CCCCEMHH C34H52N12O11S5 964.2483 NA PeJP NA NA +FL5FACGL0068 Quercetin 3-(6''''-ferulylsophorotrioside) C43H48O25 964.24846 167638-66-6 knapsack NA NA +FL5FACGL0075 Quercetin 3-[2'''-(E)-caffeylsophoroside]-7-glucoside C43H48O25 964.24846 151649-66-0 knapsack NA NA +FL5FACGS0112 Quercetin 3-(6''''-feruloylglucosyl)-(1->2)-galactosyl-(1->2)-glucoside;3-[[O-6-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C43H48O25 964.24846 197294-29-4 knapsack NA NA +FL5FECGS0059 Patuletin 3-(2''-feruloylglucosyl)-(1->6)-[apiosyl-(1->2)-glucoside];Quercetagetin 6-methyl ether 3-(2''-feruloylglucosyl)-(1->6)-[apiosyl-(1->2)-glucoside];3-[[O-D-Apio-beta-D-furanosyl-(1->2)-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one C43H48O25 964.24846 195206-61-2 knapsack NA NA +MJ098838 3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)-[4-hydroxy-3-methoxycinnamoyl-(?2)-?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C43H48O25 964.248467 NA MeJP NA NA +MJ098839 3,3',4',5,7-Pentahydroxyflavone; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(??)-sophorotrioside] C43H48O25 964.248467 NA MeJP NA NA +MJ098840 Isoquercitrin; 2''-O-[4-Hydroxy-3-methoxycinnamoyl-(?2)-?-D-glucopyranosyl], 7-O-?-D-glucopyranoside C43H48O25 964.248467 NA MeJP NA NA +MJ098841 Isoquercitrin; 2''-O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-galactopyranosyl] C43H48O25 964.248467 NA MeJP NA NA +MJ098842 Isoquercitrin; 4',7-Di-O-?-D-glucopyranoside, O''-(4-hydroxy-3-methoxycinnamoyl) C43H48O25 964.248467 NA MeJP NA NA +PJ103797 GSCCCCCMR C31H56N12O11S6 964.2516 NA PeJP NA NA +PJ103798 CCCCCHFF C39H52N10O9S5 964.2523 NA PeJP NA NA +PJ103799 CDDDDDMH C34H48N10O19S2 964.2539 NA PeJP NA NA +PJ103800 SSSSCCCCW C35H52N10O14S4 964.2548 NA PeJP NA NA +PJ103801 SSSSSSCCCD C31H52N10O19S3 964.2573 NA PeJP NA NA +PJ103802 SSSCCCNMM C32H56N10O14S5 964.2581 NA PeJP NA NA +PJ103803 SCCDDEMY C36H52N8O17S3 964.2613 NA PeJP NA NA +PJ103804 PCCCDMMY C37H56N8O12S5 964.2622 NA PeJP NA NA +PJ103805 GSCCNDDDH C33H48N12O18S2 964.2651 NA PeJP NA NA +PJ103806 GGGSCCDDDH C33H48N12O18S2 964.2652 NA PeJP NA NA +PJ103807 SCCEMMMM C34H60N8O12S6 964.2655 NA PeJP NA NA +PJ103808 GPCCCCNEH C34H52N12O13S4 964.266 NA PeJP NA NA +PJ103809 SSTCCCCCR C31H56N12O13S5 964.2694 NA PeJP NA NA +FL5FADGL0032 Isorhamnetin 3-gentiotrioside-7-glucoside C40H52O27 964.26959 84534-27-0 knapsack NA NA +MJ098843 3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl], 7-O-?-D-glucopyranoside C40H52O27 964.269596 NA MeJP NA NA +PJ103810 GCCCCQYW C39H52N10O11S4 964.27 NA PeJP NA NA +PJ103811 GPCNDDDDD C34H48N10O21S 964.2717 NA PeJP NA NA +PJ103812 GSSCCCNEY C35H52N10O16S3 964.2725 NA PeJP NA NA +PJ103813 CCCNNMMF C36H56N10O11S5 964.2734 NA PeJP NA NA +PJ103814 GCDDDDYY C39H48N8O19S 964.2757 NA PeJP NA NA +PJ103815 GSSSSTCCCM C32H56N10O16S4 964.2759 NA PeJP NA NA +PJ103816 PCCCDDFY C40H52N8O14S3 964.2766 NA PeJP NA NA +PJ103817 GSCCCCKMM C33H60N10O11S6 964.2768 NA PeJP NA NA +C11541 Cobalt-precorrin 5 C45H53CoN4O16 964.2789 NA KEGG NA NA +PJ103818 GCDDMMMY C37H56N8O14S4 964.2799 NA PeJP NA NA +PJ103819 PCCCMMMF C38H60N8O9S6 964.2808 NA PeJP NA NA +PJ103820 PCCCCNHW C38H52N12O10S4 964.2813 NA PeJP NA NA +PJ103821 CCNNDEMH C34H52N12O15S3 964.2838 NA PeJP NA NA +PJ103822 GCMMMMMM C35H64N8O9S7 964.2842 NA PeJP NA NA +PJ103823 CCCCCQFR C35H56N12O10S5 964.2846 NA PeJP NA NA +PJ103824 SSCCCNYW C39H52N10O13S3 964.2878 NA PeJP NA NA +PJ103825 NNDDDDEE C34H48N10O23 964.2894 NA PeJP NA NA +PJ103826 SSSSCCNDY C35H52N10O18S2 964.2903 NA PeJP NA NA +PJ103827 SCCNNMMY C36H56N10O13S4 964.2911 NA PeJP NA NA +PJ103828 GGSCCNMMY C36H56N10O13S4 964.2912 NA PeJP NA NA +PJ103829 SSSSSSSCCM C32H56N10O18S3 964.2936 NA PeJP NA NA +PJ103830 SPCCDDYY C40H52N8O16S2 964.2943 NA PeJP NA NA +PJ103831 SSTCCCCKM C33H60N10O13S5 964.2945 NA PeJP NA NA +PJ103832 CCCNDDHR C33H52N14O14S3 964.295 NA PeJP NA NA +PJ103833 CCEMMYW C41H56N8O11S4 964.2952 NA PeJP NA NA +PJ103834 PDDDDEEM C36H52N8O21S 964.2968 NA PeJP NA NA +PJ103835 SSCDEMMY C37H56N8O16S3 964.2977 NA PeJP NA NA +PJ103836 SPCCMMMY C38H60N8O11S5 964.2985 NA PeJP NA NA +PJ103837 GCDMMMMF C38H60N8O11S5 964.2986 NA PeJP NA NA +PJ103838 GCCNDMHW C38H52N12O12S3 964.299 NA PeJP NA NA +PJ103839 GSNNNDDDD C33H48N12O22 964.3007 NA PeJP NA NA +PJ103840 GSSCNDDMH C34H52N12O17S2 964.3015 NA PeJP NA NA +PJ103841 STCMMMMM C35H64N8O11S6 964.3019 NA PeJP NA NA +PJ103842 SCCCCQRY C35H56N12O12S4 964.3024 NA PeJP NA NA +PJ103843 GNDDDDEW C38H48N10O20 964.3047 NA PeJP NA NA +PJ103844 GCCNNEYY C39H52N10O15S2 964.3055 NA PeJP NA NA +PJ103845 GGGGGCCEYY C39H52N10O15S2 964.3056 NA PeJP NA NA +PJ103846 GCCCCKYW C40H56N10O10S4 964.3064 NA PeJP NA NA +PJ103847 ASPCNDDDE C35H52N10O20S 964.308 NA PeJP NA NA +PJ103848 GSPNDDDDM C35H52N10O20S 964.3081 NA PeJP NA NA +PJ103849 GSSSCCQMY C36H56N10O15S3 964.3089 NA PeJP NA NA +PJ103850 SCDDDHHH C36H48N14O16S 964.3094 NA PeJP NA NA +PJ103851 CCDEFYW C44H52N8O13S2 964.3096 NA PeJP NA NA +PJ103852 CCCCQKMF C37H60N10O10S5 964.3098 NA PeJP NA NA +PJ103853 PCCCEHHH C37H52N14O11S3 964.3103 NA PeJP NA NA +PJ103854 GSDDDMYY C40H52N8O18S 964.3121 NA PeJP NA NA +PJ103855 SSSCCNNNH C33H52N14O16S2 964.3127 NA PeJP NA NA +PJ103856 GGSSSCCNNH C33H52N14O16S2 964.3128 NA PeJP NA NA +PJ103857 GPCCEMYY C41H56N8O13S3 964.3129 NA PeJP NA NA +PJ103858 GSPCCCCHR C34H56N14O11S4 964.3136 NA PeJP NA NA +PJ103859 CCCQHWW C42H52N12O9S3 964.3143 NA PeJP NA NA +PJ103860 GDEEEEEE C36H52N8O23 964.3146 NA PeJP NA NA +PJ103861 PDDDDDHH C37H48N12O19 964.3159 NA PeJP NA NA +PJ103862 GSDMMMMY C38H60N8O13S4 964.3163 NA PeJP NA NA +PJ103863 SSCCNEHW C38H52N12O14S2 964.3168 NA PeJP NA NA +PJ103864 GCCMMHHF C39H56N12O9S4 964.3177 NA PeJP NA NA +PJ103865 SSSSCNDEH C34H52N12O19S 964.3193 NA PeJP NA NA +PJ103866 NDDDDWW C42H48N10O17 964.3199 NA PeJP NA NA +PJ103867 GSSSCCCRY C35H56N12O14S3 964.3201 NA PeJP NA NA +PJ103868 GPPCCCDDR C35H56N12O14S3 964.3202 NA PeJP NA NA +PJ103869 CCNNYYW C43H52N10O12S2 964.3208 NA PeJP NA NA +PJ103870 CCCCCKFR C36H60N12O9S5 964.321 NA PeJP NA NA +FL5FABGI0026 Epimedin K;Korepimedoside B8-Prenylkaempferol 4'-methyl ether 3-[2''',6'''-diacetylglucosyl-(1->3)-4''-acetylrhamnoside]-7-glucoside;3-[[4-O-Acetyl-6-deoxy-3-O-(2,6-di-O-acetyl-beta-D-glucopyranosyl)-alpha-L-mannopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C45H56O23 964.32123 174286-13-6 knapsack NA NA +FL5FABGI0027 Caohuoside B;8-Prenylkaempferol 4'-methyl ether 3''-[4''',6'''-diacetylglucosyl-(1->3)-4''-acetylrhamnoside]-7-glucoside;3-[[4-O-Acetyl-6-deoxy-3-O-(4,6-di-O-acetyl-beta-D-glucopyranosyl)-alpha-L-mannopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one C45H56O23 964.32123 159650-19-8 knapsack NA NA +MJ098844 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[2,6-di-O-acetyl-?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C45H56O23 964.321238 NA MeJP NA NA +MJ098845 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[3,6-di-O-acetyl-?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C45H56O23 964.321238 NA MeJP NA NA +MJ098846 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[4,6-di-O-acetyl-?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside C45H56O23 964.321238 NA MeJP NA NA +PJ103871 SPCNDDEW C39H52N10O17S 964.3233 NA PeJP NA NA +PJ103872 DDMMMHW C40H56N10O12S3 964.3242 NA PeJP NA NA +PJ103873 SNNDEEEE C35H52N10O22 964.3258 NA PeJP NA NA +PJ103874 SSSSSCNMY C36H56N10O17S2 964.3267 NA PeJP NA NA +PJ103875 SCDEYYW C44H52N8O15S 964.3273 NA PeJP NA NA +PJ103876 SCCCQKMY C37H60N10O12S4 964.3275 NA PeJP NA NA +PJ103877 GGPPPTCCCM C37H60N10O12S4 964.3276 NA PeJP NA NA +PJ103878 CCNNNNHF C37H52N14O13S2 964.328 NA PeJP NA NA +PJ103879 PCCMYYW C45H56N8O10S3 964.3282 NA PeJP NA NA +PJ103880 DEEEEEW C40H52N8O20 964.3298 NA PeJP NA NA +PJ103881 CNNNDDDR C33H52N14O18S 964.3305 NA PeJP NA NA +PJ103882 GGGGGGGGGGGSCE C33H52N14O18S 964.3306 NA PeJP NA NA +PJ103883 NDEMMYY C41H56N8O15S2 964.3307 NA PeJP NA NA +PJ103884 SCCNDMHR C34H56N14O13S3 964.3314 NA PeJP NA NA +PJ103885 TCMMMYW C42H60N8O10S4 964.3316 NA PeJP NA NA +PJ103886 GSSCCHWW C42H52N12O11S2 964.332 NA PeJP NA NA +PJ103887 SPDEEEEM C37H56N8O20S 964.3332 NA PeJP NA NA +PJ103888 SSSEMMMY C38H60N8O15S3 964.3341 NA PeJP NA NA +PJ103889 GSSSSCDHW C38H52N12O16S 964.3345 NA PeJP NA NA +PJ103890 GGGGGNDDMW C38H52N12O16S 964.3346 NA PeJP NA NA +PJ103891 QMMMMMY C39H64N8O10S5 964.3349 NA PeJP NA NA +PJ103892 GSCNMMHW C39H56N12O11S3 964.3354 NA PeJP NA NA +PJ103893 SNDDDDER C34H52N12O21 964.337 NA PeJP NA NA +PJ103894 GGSDDDDER C34H52N12O21 964.3371 NA PeJP NA NA +PJ103895 PCNDDDMR C35H56N12O16S2 964.3379 NA PeJP NA NA +PJ103896 GSPCDDWW C43H52N10O14S 964.3386 NA PeJP NA NA +PJ103897 SCCCCKRY C36H60N12O11S4 964.3388 NA PeJP NA NA +PJ103898 SCCNQHHH C36H52N16O12S2 964.3392 NA PeJP NA NA +PJ103899 GGSCCQHHH C36H52N16O12S2 964.3393 NA PeJP NA NA +PJ103900 APPCCCWW C44H56N10O9S3 964.3394 NA PeJP NA NA +PJ103901 GSNDEEEW C39H52N10O19 964.3411 NA PeJP NA NA +PJ103902 GPNDDMMW C40H56N10O14S2 964.3419 NA PeJP NA NA +PJ103903 PPCCMMHF C41H60N10O9S4 964.3428 NA PeJP NA NA +PJ103904 CDMHHHW C41H52N14O10S2 964.3433 NA PeJP NA NA +PJ103905 GSSSSSSTCY C36H56N10O19S 964.3444 NA PeJP NA NA +PJ103906 GGGGAEEEEM C36H56N10O19S 964.3445 NA PeJP NA NA +PJ103907 NDDEFYY C44H52N8O17 964.3451 NA PeJP NA NA +PJ103908 GSSSCCKMY C37H60N10O14S3 964.3453 NA PeJP NA NA +PJ103909 SCNNNNNW C37H52N14O15S 964.3458 NA PeJP NA NA +PJ103910 GDMMYYW C45H56N8O12S2 964.3459 NA PeJP NA NA +PJ103911 GPCCEFFY C45H56N8O12S2 964.346 NA PeJP NA NA +PJ103912 CMMMMRY C38H64N10O9S5 964.3462 NA PeJP NA NA +PJ103913 GTCCCHRW C38H56N14O10S3 964.3466 NA PeJP NA NA +PJ103914 SSSNNNNND C33H52N14O20 964.3483 NA PeJP NA NA +PJ103915 GSSEEMYY C41H56N8O17S 964.3484 NA PeJP NA NA +PJ103916 PPDDDEMF C41H56N8O17S 964.3485 NA PeJP NA NA +PJ103917 GSSSCCEHR C34H56N14O15S2 964.3491 NA PeJP NA NA +PJ103918 GGGSPCCNDR C34H56N14O15S2 964.3492 NA PeJP NA NA +PJ103919 GPTCMMYY C42H60N8O12S3 964.3493 NA PeJP NA NA +PJ103920 CNNNEWW C42H52N12O13S 964.3498 NA PeJP NA NA +PJ103921 GCCQMMHR C35H60N14O10S4 964.35 NA PeJP NA NA +PJ103922 CCCKHWW C43H56N12O8S3 964.3507 NA PeJP NA NA +PJ103923 ATEEEEEE C37H56N8O22 964.351 NA PeJP NA NA +PJ103924 APEEEEMM C38H60N8O17S2 964.3518 NA PeJP NA NA +PJ103925 GSDDDDRW C38H52N12O18 964.3523 NA PeJP NA NA +PJ103926 GTTMMMMY C39H64N8O12S4 964.3527 NA PeJP NA NA +PJ103927 GPCCDERW C39H56N12O13S2 964.3532 NA PeJP NA NA +PJ103928 SSSPCNNQE C35H56N12O18S 964.3556 NA PeJP NA NA +PJ103929 GNDDEEMR C35H56N12O18S 964.3557 NA PeJP NA NA +PJ103930 SNDEEWW C43H52N10O16 964.3563 NA PeJP NA NA +PJ103931 GSPPCCDMR C36H60N12O13S3 964.3565 NA PeJP NA NA +PJ103932 GGGGGGPNMMM C36H60N12O13S3 964.3566 NA PeJP NA NA +PJ103933 GSSSCNHHH C36H52N16O14S 964.357 NA PeJP NA NA +PJ103934 PCNEMWW C44H56N10O11S2 964.3572 NA PeJP NA NA +PJ103935 NQEEEMW C40H56N10O16S 964.3597 NA PeJP NA NA +PJ103936 GDDFYYW C48H52N8O14 964.3603 NA PeJP NA NA +PJ103937 CCNNNNQR C33H56N16O14S2 964.3604 NA PeJP NA NA +PJ103938 CDMMFRY C41H60N10O11S3 964.3605 NA PeJP NA NA +PJ103939 TEMMMHW C41H60N10O11S3 964.3606 NA PeJP NA NA +PJ103940 GPCNDHHW C41H52N14O12S 964.361 NA PeJP NA NA +PJ103941 PCCFFYW C49H56N8O9S2 964.3612 NA PeJP NA NA +PJ103942 GCCCMHRR C34H60N16O9S4 964.3613 NA PeJP NA NA +PJ103943 SSSSSSSSSY C36H56N10O21 964.3622 NA PeJP NA NA +PJ103944 SSSSTCCKY C37H60N10O16S2 964.363 NA PeJP NA NA +PJ103945 STTEEMMH C37H60N10O16S2 964.3631 NA PeJP NA NA +PJ103946 NNNNNNDF C37H52N14O17 964.3635 NA PeJP NA NA +PJ103947 GGGGGGGGNNDF C37H52N14O17 964.3636 NA PeJP NA NA +PJ103948 SSEMYYW C45H56N8O14S 964.3637 NA PeJP NA NA +PJ103949 SCCCKKMY C38H64N10O11S4 964.3639 NA PeJP NA NA +PJ103950 SSSCCHRW C38H56N14O12S2 964.3644 NA PeJP NA NA +PJ103951 GMMMFYW C46H60N8O9S3 964.3646 NA PeJP NA NA +PJ103952 GCNNWWW C46H52N12O10S 964.365 NA PeJP NA NA +PJ103953 GGGCNWWW C46H52N12O10S 964.3651 NA PeJP NA NA +PJ103954 SSSTEEYY C41H56N8O19 964.3662 NA PeJP NA NA +PJ103955 GCDDDERR C34H56N14O17S 964.3669 NA PeJP NA NA +PJ103956 TQEMMYY C42H60N8O14S2 964.3671 NA PeJP NA NA +PJ103957 GSSNNDWW C42H52N12O15 964.3675 NA PeJP NA NA +PJ103958 GGGSSNDWW C42H52N12O15 964.3676 NA PeJP NA NA +PJ103959 MYYYYY C50H56N6O12S 964.3677 NA PeJP NA NA +PJ103960 SSCNMMHR C35H60N14O12S3 964.3678 NA PeJP NA NA +PJ103961 QMMMMFF C43H64N8O9S4 964.3679 NA PeJP NA NA +PJ103962 GAMMMMFF C43H64N8O9S4 964.368 NA PeJP NA NA +PJ103963 PCCDRWW C43H56N12O10S2 964.3684 NA PeJP NA NA +PJ103964 GLEEEEEM C38H60N8O19S 964.3696 NA PeJP NA NA +PJ103965 STTTMMMY C39H64N8O14S3 964.3704 NA PeJP NA NA +PJ103966 PPTEEMMM C39H64N8O14S3 964.3705 NA PeJP NA NA +PJ103967 NDDEMRW C39H56N12O15S 964.3709 NA PeJP NA NA +PJ103968 GGGGGGGGPDMF C39H56N12O15S 964.371 NA PeJP NA NA +PJ103969 KMMMMMY C40H68N8O9S5 964.3713 NA PeJP NA NA +PJ103970 GSDEWWW C47H52N10O13 964.3716 NA PeJP NA NA +PJ103971 PPTCCCRW C40H60N12O10S3 964.3718 NA PeJP NA NA +PJ103972 GCNNHHHF C40H52N16O11S 964.3723 NA PeJP NA NA +PJ103973 GPCMWWW C48H56N10O8S2 964.3724 NA PeJP NA NA +PJ103974 SSNDEEER C35H56N12O20 964.3734 NA PeJP NA NA +PJ103975 SPNDDMMR C36H60N12O15S2 964.3743 NA PeJP NA NA +PJ103976 GNDDDHHR C36H52N16O16 964.3748 NA PeJP NA NA +PJ103977 GQEEMWW C44H56N10O13S 964.3749 NA PeJP NA NA +PJ103978 GGAEEMWW C44H56N10O13S 964.375 NA PeJP NA NA +PJ103979 EMMMMHR C37H64N12O10S4 964.3752 NA PeJP NA NA +PJ103980 SCCNKHHH C37H56N16O11S2 964.3756 NA PeJP NA NA +PJ103981 GSTQEEEW C40H56N10O18 964.3774 NA PeJP NA NA +PJ103982 GGGTTEEEW C40H56N10O18 964.3775 NA PeJP NA NA +PJ103983 GSSCNNNNR C33H56N16O16S 964.3781 NA PeJP NA NA +PJ103984 GGGGGGGSSCNR C33H56N16O16S 964.3782 NA PeJP NA NA +PJ103985 GSPQEMMW C41H60N10O13S2 964.3783 NA PeJP NA NA +PJ103986 NNEEHHW C41H52N14O14 964.3788 NA PeJP NA NA +PJ103987 APCYYYW C49H56N8O11S 964.379 NA PeJP NA NA +PJ103988 VMMMMHW C42H64N10O8S4 964.3792 NA PeJP NA NA +PJ103989 SMMHHHW C42H56N14O9S2 964.3796 NA PeJP NA NA +PJ103990 CCNHFRW C42H56N14O9S2 964.3797 NA PeJP NA NA +PJ103991 GNKEEEEM C37H60N10O18S 964.3808 NA PeJP NA NA +PJ103992 VNDEYYY C45H56N8O16 964.3814 NA PeJP NA NA +PJ103993 PEEEEFW C45H56N8O16 964.3815 NA PeJP NA NA +PJ103994 SSLEMMMH C38H64N10O13S3 964.3817 NA PeJP NA NA +PJ103995 CDDDRRW C38H56N14O14S 964.3822 NA PeJP NA NA +PJ103996 ATMMYYW C46H60N8O11S2 964.3823 NA PeJP NA NA +PJ103997 AAMMMHHH C39H60N14O9S3 964.383 NA PeJP NA NA +PJ103998 GTCHHHHH C39H52N18O10S 964.3835 NA PeJP NA NA +PJ103999 SSSSNNNQQ C34H56N14O19 964.3846 NA PeJP NA NA +PJ104000 SSDDDDRR C34H56N14O19 964.3847 NA PeJP NA NA +PJ104001 LEEEEMW C42H60N8O16S 964.3848 NA PeJP NA NA +PJ104002 SPCCDERR C35H60N14O14S2 964.3855 NA PeJP NA NA +PJ104003 GGGGGGGEMMR C35H60N14O14S2 964.3856 NA PeJP NA NA +PJ104004 VQMMMYY C43H64N8O11S3 964.3857 NA PeJP NA NA +PJ104005 GDDMRWW C43H56N12O12S 964.3862 NA PeJP NA NA +PJ104006 PPCCCMRR C36H64N14O9S4 964.3864 NA PeJP NA NA +PJ104007 SDWWWW C51H52N10O10 964.3868 NA PeJP NA NA +PJ104008 STLEEEEE C38H60N8O21 964.3873 NA PeJP NA NA +PJ104009 SPLEEEMM C39H64N8O16S2 964.3882 NA PeJP NA NA +PJ104010 GSSDEERW C39H56N12O17 964.3887 NA PeJP NA NA +PJ104011 PPVEMMMM C40H68N8O11S4 964.3891 NA PeJP NA NA +PJ104012 SSSCKMHW C40H60N12O12S2 964.3895 NA PeJP NA NA +PJ104013 GSPCEMRW C40H60N12O12S2 964.3896 NA PeJP NA NA +PJ104014 GSNNNHHW C40H52N16O13 964.39 NA PeJP NA NA +PJ104015 QEMWWW C48H56N10O10S 964.3902 NA PeJP NA NA +PJ104016 SSSSSDKMH C36H60N12O17S 964.392 NA PeJP NA NA +PJ104017 GSQEEEMR C36H60N12O17S 964.3921 NA PeJP NA NA +PJ104018 STQEEWW C44H56N10O15 964.3927 NA PeJP NA NA +PJ104019 GPNEMMMR C37H64N12O12S3 964.3929 NA PeJP NA NA +PJ104020 SPCNDHHR C37H56N16O13S 964.3934 NA PeJP NA NA +PJ104021 SPQMMWW C45H60N10O10S2 964.3936 NA PeJP NA NA +PJ104022 GNEHHWW C45H52N14O11 964.394 NA PeJP NA NA +MJ098847 Trillenogenin; 24-Epimer, 1-O-[2,3,4-tri-O-acetyl-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 3,21-di-Ac C47H64O21 964.394009 NA MeJP NA NA +PJ104023 GGGEHHWW C45H52N14O11 964.3941 NA PeJP NA NA +PJ104024 NKEEEMW C41H60N10O15S 964.3961 NA PeJP NA NA +PJ104025 AAEYYYW C49H56N8O13 964.3967 NA PeJP NA NA +PJ104026 GCNNDMRR C34H60N16O13S2 964.3968 NA PeJP NA NA +PJ104027 AAPQMMMW C42H64N10O10S3 964.3969 NA PeJP NA NA +PJ104028 GGGPVMMMW C42H64N10O10S3 964.397 NA PeJP NA NA +PJ104029 SCNNRWW C42H56N14O11S 964.3974 NA PeJP NA NA +PJ104030 GMMFFFW C50H60N8O8S2 964.3976 NA PeJP NA NA +PJ104031 SSQKEEEE C37H60N10O20 964.3986 NA PeJP NA NA +PJ104032 SPNKEEMM C38H64N10O15S2 964.3994 NA PeJP NA NA +PJ104033 GGSPKEEMM C38H64N10O15S2 964.3995 NA PeJP NA NA +PJ104034 SSSNNDRW C38H56N14O16 964.3999 NA PeJP NA NA +PJ104035 GGGGGGGGGGGGVY C38H56N14O16 964.4 NA PeJP NA NA +PJ104036 TTTMYYW C46H60N8O13S 964.4001 NA PeJP NA NA +PJ104037 ATLMMMMH C39H68N10O10S4 964.4003 NA PeJP NA NA +PJ104038 FFYYYY C54H56N6O11 964.4007 NA PeJP NA NA +PJ104039 NNNMMRW C39H60N14O11S2 964.4008 NA PeJP NA NA +PJ104040 SSSHHHHH C39H52N18O12 964.4013 NA PeJP NA NA +PJ104041 CERWWW C47H56N12O9S 964.4014 NA PeJP NA NA +PJ104042 STTTTEYY C42H60N8O18 964.4026 NA PeJP NA NA +PJ104043 GSDDEMRR C35H60N14O16S 964.4033 NA PeJP NA NA +PJ104044 TKEMMYY C43H64N8O13S2 964.4035 NA PeJP NA NA +PJ104045 SSDERWW C43H56N12O14 964.4039 NA PeJP NA NA +PJ104046 GGGGGAQEFW C43H56N12O14 964.404 NA PeJP NA NA +PJ104047 GPCDMMRR C36H64N14O11S3 964.4042 NA PeJP NA NA +PJ104048 KMMMMFF C44H68N8O8S4 964.4043 NA PeJP NA NA +PJ104049 GCNNQHHR C36H56N18O12S 964.4046 NA PeJP NA NA +PJ104050 GGGGGGACHHR C36H56N18O12S 964.4047 NA PeJP NA NA +PJ104051 SPCMRWW C44H60N12O9S2 964.4048 NA PeJP NA NA +PJ104052 PDHHHHW C44H52N16O10 964.4053 NA PeJP NA NA +PJ104053 AMWWWW C52H56N10O7S 964.4055 NA PeJP NA NA +PJ104054 SVLEEEEM C39H64N8O18S 964.406 NA PeJP NA NA +PJ104055 PVVEEMMM C40H68N8O13S3 964.4068 NA PeJP NA NA +PJ104056 SQEEMRW C40H60N12O14S 964.4073 NA PeJP NA NA +PJ104057 DRYYYW C48H56N10O12 964.4079 NA PeJP NA NA +PJ104058 GTTEWWW C48H56N10O12 964.408 NA PeJP NA NA +PJ104059 PNMMMRW C41H64N12O9S3 964.4082 NA PeJP NA NA +PJ104060 CEHHHFR C41H56N16O10S 964.4087 NA PeJP NA NA +PJ104061 NHHWWW C49H52N14O8 964.4093 NA PeJP NA NA +PJ104062 SSTQEEER C36H60N12O19 964.4098 NA PeJP NA NA +PJ104063 AAQEEMMR C37H64N12O14S2 964.4107 NA PeJP NA NA +PJ104064 GNNNNNRY C37H56N16O15 964.4111 NA PeJP NA NA +PJ104065 GGGGGNNNRY C37H56N16O15 964.4112 NA PeJP NA NA +PJ104066 GKEEMWW C45H60N10O12S 964.4113 NA PeJP NA NA +PJ104067 PPCCKMMR C38H68N12O9S4 964.4116 NA PeJP NA NA +PJ104068 TFYYWW C53H56N8O10 964.412 NA PeJP NA NA +PJ104069 AMHHHFW C46H56N14O8S 964.4127 NA PeJP NA NA +PJ104070 GSTKEEEW C41H60N10O17 964.4138 NA PeJP NA NA +PJ104071 GGGGALEEEF C41H60N10O17 964.4139 NA PeJP NA NA +PJ104072 SSCNNERR C34H60N16O15S 964.4145 NA PeJP NA NA +PJ104073 GSPKEMMW C42H64N10O12S2 964.4147 NA PeJP NA NA +PJ104074 NNNDFRW C42H56N14O13 964.4152 NA PeJP NA NA +PJ104075 GVMFYYW C50H60N8O10S 964.4153 NA PeJP NA NA +PJ104076 GGPMFFFY C50H60N8O10S 964.4154 NA PeJP NA NA +PJ104077 NHHHHHF C43H52N18O9 964.4165 NA PeJP NA NA +PJ104078 GDKKEEEM C38H64N10O17S 964.4172 NA PeJP NA NA +PJ104079 AKEEYYY C46H60N8O15 964.4178 NA PeJP NA NA +PJ104080 PLEEEYW C46H60N8O15 964.4179 NA PeJP NA NA +PJ104081 TTTLMMMH C39H68N10O12S3 964.4181 NA PeJP NA NA +PJ104082 SDDMRRW C39H60N14O13S 964.4185 NA PeJP NA NA +PJ104083 GGGGGSTMRW C39H60N14O13S 964.4186 NA PeJP NA NA +PJ104084 VQMMFFY C47H64N8O10S2 964.4187 NA PeJP NA NA +PJ104085 GNQQFWW C47H56N12O11 964.4192 NA PeJP NA NA +PJ104086 SSSDEERR C35H60N14O18 964.421 NA PeJP NA NA +PJ104087 GGGGGSSTTER C35H60N14O18 964.4211 NA PeJP NA NA +PJ104088 SSTTLMYY C43H64N8O15S 964.4212 NA PeJP NA NA +PJ104089 NEEMMRR C36H64N14O13S2 964.4219 NA PeJP NA NA +PJ104090 VKMMMYY C44H68N8O10S3 964.4221 NA PeJP NA NA +PJ104091 SSNNNHHR C36H56N18O14 964.4224 NA PeJP NA NA +PJ104092 SNNKMWW C44H60N12O11S 964.4225 NA PeJP NA NA +PJ104093 GTEMRWW C44H60N12O11S 964.4226 NA PeJP NA NA +PJ104094 TTWWWW C52H56N10O9 964.4232 NA PeJP NA NA +PJ104095 GPCCHHRR C37H60N18O9S2 964.4233 NA PeJP NA NA +PJ104096 ALLEEEMM C40H68N8O15S2 964.4246 NA PeJP NA NA +PJ104097 SSTNNKEW C40H60N12O16 964.425 NA PeJP NA NA +PJ104098 GSTTEERW C40H60N12O16 964.4251 NA PeJP NA NA +PJ104099 VNEMMRW C41H64N12O11S2 964.4259 NA PeJP NA NA +PJ104100 GGGGAAKMMW C41H64N12O11S2 964.426 NA PeJP NA NA +PJ104101 SNEHHRW C41H56N16O12 964.4264 NA PeJP NA NA +PJ104102 KEMWWW C49H60N10O9S 964.4266 NA PeJP NA NA +PJ104103 GSKEEEMR C37H64N12O16S 964.4284 NA PeJP NA NA +PJ104104 GGGGSDKKEM C37H64N12O16S 964.4285 NA PeJP NA NA +PJ104105 STKEEWW C45H60N10O14 964.4291 NA PeJP NA NA +PJ104106 GPDKMMMR C38H68N12O11S3 964.4293 NA PeJP NA NA +PJ104107 GSSCNRRW C38H60N16O12S 964.4298 NA PeJP NA NA +PJ104108 ALQMMWW C46H64N10O9S2 964.4299 NA PeJP NA NA +PJ104109 SPKMMWW C46H64N10O9S2 964.43 NA PeJP NA NA +PJ104110 GDKHHWW C46H56N14O10 964.4304 NA PeJP NA NA +PJ104111 GSSSSNDRR C34H60N16O17 964.4323 NA PeJP NA NA +PJ104112 ATTLNEMW C42H64N10O14S 964.4324 NA PeJP NA NA +PJ104113 DKKEEMW C42H64N10O14S 964.4325 NA PeJP NA NA +PJ104114 GTLYYYW C50H60N8O12 964.4331 NA PeJP NA NA +PJ104115 CDEMRRR C35H64N16O12S2 964.4332 NA PeJP NA NA +PJ104116 AAPKMMMW C43H68N10O9S3 964.4333 NA PeJP NA NA +PJ104117 VQQMHHW C43H60N14O10S 964.4338 NA PeJP NA NA +PJ104118 GPPHWWW C51H56N12O8 964.4345 NA PeJP NA NA +PJ104119 SSSPTTKEE C38H64N10O19 964.4349 NA PeJP NA NA +PJ104120 SSKKEEEE C38H64N10O19 964.435 NA PeJP NA NA +PJ104121 GLQKEEMM C39H68N10O14S2 964.4358 NA PeJP NA NA +PJ104122 SSSSQQRW C39H60N14O15 964.4363 NA PeJP NA NA +PJ104123 PTKMYYY C47H64N8O12S 964.4365 NA PeJP NA NA +PJ104124 PPCKKMMM C40H72N10O9S4 964.4367 NA PeJP NA NA +PJ104125 GEMMRRW C40H64N14O10S2 964.4372 NA PeJP NA NA +PJ104126 AAQQHHHH C40H56N18O11 964.4376 NA PeJP NA NA +PJ104127 GGGVQHHHH C40H56N18O11 964.4377 NA PeJP NA NA +PJ104128 TMRWWW C48H60N12O8S 964.4378 NA PeJP NA NA +PJ104129 SPVLEEEY C43H64N8O17 964.439 NA PeJP NA NA +PJ104130 GSTEEMRR C36H64N14O15S 964.4397 NA PeJP NA NA +PJ104131 PPVVEMMY C44H68N8O12S2 964.4399 NA PeJP NA NA +PJ104132 STTERWW C44H60N12O13 964.4403 NA PeJP NA NA +PJ104133 GGGGGGGGPVFF C44H60N12O13 964.4404 NA PeJP NA NA +PJ104134 GSPMMMRR C37H68N14O10S3 964.4405 NA PeJP NA NA +PJ104135 GAPCCCKKR C37H68N14O10S3 964.4406 NA PeJP NA NA +PJ104136 NDMHHRR C37H60N18O11S 964.441 NA PeJP NA NA +PJ104137 GVMMRWW C45H64N12O8S2 964.4412 NA PeJP NA NA +PJ104138 GSHHRWW C45H56N16O9 964.4417 NA PeJP NA NA +PJ104139 TTLLEEEM C40H68N8O17S 964.4424 NA PeJP NA NA +PJ104140 PTLLEMMM C41H72N8O12S3 964.4432 NA PeJP NA NA +PJ104141 SKEEMRW C41H64N12O13S 964.4437 NA PeJP NA NA +PJ104142 SSTLWWW C49H60N10O11 964.4443 NA PeJP NA NA +PJ104143 GGALEFWW C49H60N10O11 964.4444 NA PeJP NA NA +PJ104144 LMMMHFR C42H68N12O8S3 964.4446 NA PeJP NA NA +PJ104145 AQMHHRW C42H60N16O9S 964.445 NA PeJP NA NA +PJ104146 SSTKEEER C37H64N12O18 964.4462 NA PeJP NA NA +PJ104147 AAKEEMMR C38H68N12O13S2 964.4471 NA PeJP NA NA +PJ104148 NNNERRY C38H60N16O14 964.4475 NA PeJP NA NA +PJ104149 GGGGGGERRY C38H60N16O14 964.4476 NA PeJP NA NA +PJ104150 SVKEMWW C46H64N10O11S 964.4477 NA PeJP NA NA +PJ104151 GVFFFYW C54H60N8O9 964.4484 NA PeJP NA NA +PJ104152 NQHHHHR C39H56N20O10 964.4489 NA PeJP NA NA +PJ104153 SSSLKEEW C42H64N10O16 964.4502 NA PeJP NA NA +PJ104154 SSSNQMRR C35H64N16O14S 964.4509 NA PeJP NA NA +PJ104155 LQKEMMW C43H68N10O11S2 964.4511 NA PeJP NA NA +PJ104156 GQQQRYW C43H60N14O12 964.4515 NA PeJP NA NA +PJ104157 GGAQQRYW C43H60N14O12 964.4516 NA PeJP NA NA +PJ104158 VQMFFFF C51H64N8O9S 964.4517 NA PeJP NA NA +PJ104159 MMRRWW C44H64N14O7S2 964.4524 NA PeJP NA NA +PJ104160 ATKKEEEM C39H68N10O16S 964.4536 NA PeJP NA NA +PJ104161 LLEEEFW C47H64N8O14 964.4542 NA PeJP NA NA +PJ104162 APKKEMMM C40H72N10O11S3 964.4545 NA PeJP NA NA +PJ104163 STEMRRW C40H64N14O12S 964.4549 NA PeJP NA NA +PJ104164 GGGGGGGLMFR C40H64N14O12S 964.455 NA PeJP NA NA +PJ104165 VKMMFFY C48H68N8O9S2 964.4551 NA PeJP NA NA +PJ104166 GPTRYWW C48H60N12O10 964.4556 NA PeJP NA NA +PJ104167 ACHHRRW C41H60N18O8S 964.4563 NA PeJP NA NA +PJ104168 SSTTEERR C36H64N14O17 964.4574 NA PeJP NA NA +PJ104169 APLLEEMY C44H68N8O14S 964.4576 NA PeJP NA NA +PJ104170 DKEMMRR C37H68N14O12S2 964.4583 NA PeJP NA NA +PJ104171 PPVLMMMF C45H72N8O9S3 964.4585 NA PeJP NA NA +PJ104172 GSSEHHRR C37H60N18O13 964.4588 NA PeJP NA NA +PJ104173 SSLMRWW C45H64N12O10S 964.4589 NA PeJP NA NA +PJ104174 GGTCKKWW C45H64N12O10S 964.459 NA PeJP NA NA +PJ104175 PKYWWW C53H60N10O8 964.4596 NA PeJP NA NA +PJ104176 SLLLEEMM C41H72N8O14S2 964.461 NA PeJP NA NA +PJ104177 SSSTLERW C41H64N12O15 964.4614 NA PeJP NA NA +PJ104178 GGGSSSSLKW C41H64N12O15 964.4615 NA PeJP NA NA +PJ104179 PVLLMMMM C42H76N8O9S4 964.4619 NA PeJP NA NA +2649 synthetic fr, of human beta-CN (190-197) ACE inhibitor NPPHQIYP 964.4619 NA Inhouse_peptide NA peptide +PJ104180 SSSCNRRR C34H64N18O13S 964.4621 NA PeJP NA NA +PJ104181 VDKMMRW C42H68N12O10S2 964.4623 NA PeJP NA NA +PJ104182 GNNRRYW C42H60N16O11 964.4628 NA PeJP NA NA +PJ104183 APKMFWW C50H64N10O8S 964.463 NA PeJP NA NA +PJ104184 ATTKEEMR C38H68N12O15S 964.4648 NA PeJP NA NA +PJ104185 SSSSLLWW C46H64N10O13 964.4655 NA PeJP NA NA +PJ104186 APTKMMMR C39H72N12O10S3 964.4657 NA PeJP NA NA +PJ104187 CQQQFRR C39H64N16O11S 964.4661 NA PeJP NA NA +PJ104188 PCDRRRY C39H64N16O11S 964.4662 NA PeJP NA NA +PJ104189 ALKMMWW C47H68N10O8S2 964.4663 NA PeJP NA NA +PJ104190 DFRRWW C47H60N14O9 964.4668 NA PeJP NA NA +PJ104191 ASSSSSQRR C35H64N16O16 964.4686 NA PeJP NA NA +PJ104192 GSSSSTQRR C35H64N16O16 964.4687 NA PeJP NA NA +PJ104193 GTTLKEMW C43H68N10O13S 964.4688 NA PeJP NA NA +PJ104194 GGGGPTLLMY C43H68N10O13S 964.4689 NA PeJP NA NA +PJ104195 PTKFFYY C51H64N8O11 964.4695 NA PeJP NA NA +PJ104196 GPMRRYW C44H64N14O9S 964.4702 NA PeJP NA NA +PJ104197 TTTKKEEE C39H68N10O18 964.4713 NA PeJP NA NA +PJ104198 GLKKEEMM C40H72N10O13S2 964.4722 NA PeJP NA NA +PJ104199 SSSSQKRW C40H64N14O14 964.4727 NA PeJP NA NA +PJ104200 VVKMYYY C48H68N8O11S 964.4728 NA PeJP NA NA +PJ104201 CLLKYYY C48H68N8O11S 964.4729 NA PeJP NA NA +PJ104202 SVMMRRW C41H68N14O9S2 964.4736 NA PeJP NA NA +PJ104203 SSHHRRW C41H60N18O10 964.474 NA PeJP NA NA +PJ104204 GLLLEEEY C44H68N8O16 964.4754 NA PeJP NA NA +PJ104205 ATTTEMRR C37H68N14O14S 964.476 NA PeJP NA NA +PJ104206 SSSLEMRR C37H68N14O14S 964.4761 NA PeJP NA NA +PJ104207 PPTLLMMY C45H72N8O11S2 964.4762 NA PeJP NA NA +PJ104208 GSSSKKWW C45H64N12O12 964.4767 NA PeJP NA NA +PJ104209 LQMMMRR C38H72N14O9S3 964.4769 NA PeJP NA NA +PJ104210 CNNFRRR C38H64N18O10S 964.4774 NA PeJP NA NA +PJ104211 VLHHHHW C46H60N16O8 964.4781 NA PeJP NA NA +PJ104212 VVLLEMMM C42H76N8O11S3 964.4796 NA PeJP NA NA +PJ104213 GTTTLMRW C42H68N12O12S 964.4801 NA PeJP NA NA +PJ104214 SPVKYWW C50H64N10O10 964.4807 NA PeJP NA NA +PJ104215 GSCCKRRR C35H68N18O10S2 964.4808 NA PeJP NA NA +PJ104216 AKMHHRW C43H64N16O8S 964.4814 NA PeJP NA NA +PJ104217 TTTTKEER C38H68N12O17 964.4826 NA PeJP NA NA +PJ104218 PTTTKMMR C39H72N12O12S2 964.4834 NA PeJP NA NA +PJ104219 GTLKEMMR C39H72N12O12S2 964.4835 NA PeJP NA NA +PJ104220 GEERRRY C39H64N16O13 964.4839 NA PeJP NA NA +PJ104221 GGGGGGGGPKKH C39H64N16O13 964.484 NA PeJP NA NA +PJ104222 TTLKMWW C47H68N10O10S 964.4841 NA PeJP NA NA +PJ104223 PCMFRRR C40H68N16O8S2 964.4848 NA PeJP NA NA +PJ104224 NKHHHHR C40H60N20O9 964.4853 NA PeJP NA NA +PJ104225 STTTLKEW C43H68N10O15 964.4866 NA PeJP NA NA +PJ104226 SSSNKMRR C36H68N16O13S 964.4873 NA PeJP NA NA +PJ104227 LKKEMMW C44H72N10O10S2 964.4875 NA PeJP NA NA +PJ104228 GVERRYW C44H64N14O11 964.4879 NA PeJP NA NA +MJ098848 Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside], 20-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C46H76O21 964.487909 NA MeJP NA NA +PJ104229 GAPLEHRW C44H64N14O11 964.488 NA PeJP NA NA +PJ104230 VKMFFFF C52H68N8O8S 964.4881 NA PeJP NA NA +PJ104231 CLMMRRR C37H72N16O8S3 964.4882 NA PeJP NA NA +PJ104232 TCHHRRR C37H64N20O9S 964.4886 NA PeJP NA NA +PJ104233 STLKKEEM C40H72N10O15S 964.49 NA PeJP NA NA +PJ104234 LLLEEYW C48H68N8O13 964.4906 NA PeJP NA NA +PJ104235 SPLKKMMM C41H76N10O10S3 964.4908 NA PeJP NA NA +PJ104236 AAAVLKMMM C41H76N10O10S3 964.4909 NA PeJP NA NA +PJ104237 GSTCKKRW C41H68N14O11S 964.4913 NA PeJP NA NA +PJ104238 AALRYWW C49H64N12O9 964.492 NA PeJP NA NA +PJ104239 TTTTTERR C37H68N14O16 964.4938 NA PeJP NA NA +PJ104240 SPLLLEMY C45H72N8O13S 964.494 NA PeJP NA NA +PJ104241 GTTLMMRR C38H72N14O11S2 964.4947 NA PeJP NA NA +PJ104242 SNNRRRY C38H64N18O12 964.4951 NA PeJP NA NA +PJ104243 GGSNRRRY C38H64N18O12 964.4952 NA PeJP NA NA +PJ104244 SCKKKWW C46H68N12O9S 964.4953 NA PeJP NA NA +PJ104245 LKFWWW C54H64N10O7 964.496 NA PeJP NA NA +PJ104246 STTTTLRW C42H68N12O14 964.4978 NA PeJP NA NA +PJ104247 GGGGGLKKEY C42H68N12O14 964.4979 NA PeJP NA NA +PJ104248 TLKMMRW C43H72N12O9S2 964.4987 NA PeJP NA NA +PJ104249 ERRRYW C43H64N16O10 964.4992 NA PeJP NA NA +PJ104250 STTLKEMR C39H72N12O14S 964.5012 NA PeJP NA NA +PJ104251 VLQKEYW C47H68N10O12 964.5018 NA PeJP NA NA +PJ104252 LLNKEYW C47H68N10O12 964.5019 NA PeJP NA NA +PJ104253 GVLKMMMR C40H76N12O9S3 964.5021 NA PeJP NA NA +PJ104254 SPMRRRY C40H68N16O10S 964.5025 NA PeJP NA NA +PJ104255 AEMFRRR C40H68N16O10S 964.5026 NA PeJP NA NA +MJ098849 Tryptophyllin L 5.1 C48H64N14O8 964.503155 NA MeJP NA NA +PJ104256 VRRYWW C48H64N14O8 964.5032 NA PeJP NA NA +PJ104257 GSSSSTKRR C36H68N16O15 964.505 NA PeJP NA NA +PJ104258 SSTLLKMW C44H72N10O12S 964.5052 NA PeJP NA NA +PJ104259 VVKFFYY C52H68N8O10 964.5059 NA PeJP NA NA +PJ104260 GLMFRRW C45H68N14O8S 964.5066 NA PeJP NA NA +PJ104261 SSSTTLLKE C40H72N10O17 964.5077 NA PeJP NA NA +HMDB09937 PIP(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C47H82O16P2 964.507812 NA HMDB2010 NA NA +HMDB09938 PIP(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C47H82O16P2 964.507812 NA HMDB2010 NA NA +HMDB09945 PIP(16:2(9Z,12Z)/22:3(10Z,13Z,16Z)) C47H82O16P2 964.507812 NA HMDB2010 NA NA +HMDB09967 PIP(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C47H82O16P2 964.507812 NA HMDB2010 NA NA +HMDB09968 PIP(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C47H82O16P2 964.507812 NA HMDB2010 NA NA +HMDB09980 PIP(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C47H82O16P2 964.507812 NA HMDB2010 NA NA +HMDB09981 PIP(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C47H82O16P2 964.507812 NA HMDB2010 NA NA +HMDB09991 PIP(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)) C47H82O16P2 964.507812 NA HMDB2010 NA NA +HMDB09992 PIP(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)) C47H82O16P2 964.507812 NA HMDB2010 NA NA +HMDB10009 PIP(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)) C47H82O16P2 964.507812 NA HMDB2010 NA NA +HMDB10014 PIP(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) C47H82O16P2 964.507812 NA HMDB2010 NA NA +HMDB10017 PIP(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)) C47H82O16P2 964.507812 NA HMDB2010 NA NA +HMDB10018 PIP(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) C47H82O16P2 964.507812 NA HMDB2010 NA NA +HMDB10021 PIP(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)) C47H82O16P2 964.507812 NA HMDB2010 NA NA +HMDB10022 PIP(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)) C47H82O16P2 964.507812 NA HMDB2010 NA NA +HMDB10024 PIP(22:3(10Z,13Z,16Z)/16:2(9Z,12Z)) C47H82O16P2 964.507812 NA HMDB2010 NA NA +HMDB10029 PIP(22:5(4Z,7Z,10Z,13Z,16Z)/16:0) C47H82O16P2 964.507812 NA HMDB2010 NA NA +HMDB10030 PIP(22:5(7Z,10Z,13Z,16Z,19Z)/16:0) C47H82O16P2 964.507812 NA HMDB2010 NA NA +PJ104262 SVLKKEMM C41H76N10O12S2 964.5086 NA PeJP NA NA +PJ104263 SSSSKKRW C41H68N14O13 964.5091 NA PeJP NA NA +PJ104264 PPVVLMFY C49H72N8O10S 964.5093 NA PeJP NA NA +PJ104265 PKMMFRR C42H72N14O8S2 964.5099 NA PeJP NA NA +PJ104266 VNHHFRR C42H64N18O9 964.5104 NA PeJP NA NA +MJ098850 Plumbomycin B C46H78NO20 964.511718 NA MeJP NA NA +PJ104267 SVLLLEEY C45H72N8O15 964.5118 NA PeJP NA NA +PJ104268 STTTLMRR C38H72N14O13S 964.5124 NA PeJP NA NA +PJ104269 PVVLLMMY C46H76N8O10S2 964.5126 NA PeJP NA NA +PJ104270 ALKERYW C46H68N12O11 964.5131 NA PeJP NA NA +PJ104271 LKMMMRR C39H76N14O8S3 964.5133 NA PeJP NA NA +PJ104272 TKMHHRR C39H68N18O9S 964.5138 NA PeJP NA NA +PJ104273 TLLLLMMM C43H80N8O10S3 964.516 NA PeJP NA NA +PJ104274 GSTKKKMW C43H72N12O11S 964.5165 NA PeJP NA NA +PJ104275 GLLKYWW C51H68N10O9 964.5171 NA PeJP NA NA +PJ104276 SSSTTTLLR C39H72N12O16 964.5189 NA PeJP NA NA +PJ104277 SSSTTTILR C39H72N12O16 964.519 NA PeJP NA NA +PJ104278 SSLLKMMR C40H76N12O11S2 964.5198 NA PeJP NA NA +PJ104279 SVERRRY C40H68N16O12 964.5203 NA PeJP NA NA +PJ104280 PLKKMYW C48H72N10O9S 964.5205 NA PeJP NA NA +PJ104281 GHHFRRR C41H64N20O8 964.5217 NA PeJP NA NA +PJ104282 GVLKKEEY C44H72N10O14 964.523 NA PeJP NA NA +PJ104283 SSTCKKRR C37H72N16O12S 964.5237 NA PeJP NA NA +2894 neuropeptide from eyestalk of Macrobrachium rosenb NRNFLRF~ 964.5238 antibacterial Inhouse_peptide NA peptide +PJ104284 APLKKMMF C45H76N10O9S2 964.5239 NA PeJP NA NA +PJ104285 ATLRRYW C45H68N14O10 964.5243 NA PeJP NA NA +PJ104286 ASTTTLLKM C41H76N10O14S 964.5263 NA PeJP NA NA +PJ104287 SSSSLLLKM C41H76N10O14S 964.5264 NA PeJP NA NA +PJ104288 SPPLLLYY C49H72N8O12 964.527 NA PeJP NA NA +PJ104289 ALLKKMMM C42H80N10O9S3 964.5272 NA PeJP NA NA +PJ104290 VLQMRRY C42H72N14O10S 964.5277 NA PeJP NA NA +PJ104291 VLHFFFR C50H68N12O8 964.5283 NA PeJP NA NA +PJ104292 PVLKHWW C50H68N12O8 964.5284 NA PeJP NA NA +PJ104293 GSSTTTKKR C38H72N14O15 964.5302 NA PeJP NA NA +PJ104294 ALLLLEMY C46H76N8O12S 964.5304 NA PeJP NA NA +PJ104295 GSKKKMMR C39H76N14O10S2 964.5311 NA PeJP NA NA +PJ104296 GSPQKHRR C39H68N18O11 964.5315 NA PeJP NA NA +PJ104297 GGGPTKHRR C39H68N18O11 964.5316 NA PeJP NA NA +PJ104298 VVKMFRW C47H72N12O8S 964.5317 NA PeJP NA NA +PJ104299 SSTTKKKW C43H72N12O13 964.5342 NA PeJP NA NA +PJ104300 GGGGGGAPPLLL C43H72N12O13 964.5343 NA PeJP NA NA +PJ104301 PTLHRRW C44H68N16O9 964.5356 NA PeJP NA NA +PJ104302 SSKKKKEM C40H76N12O13S 964.5376 NA PeJP NA NA +PJ104303 VLKKEYW C48H72N10O11 964.5382 NA PeJP NA NA +PJ104304 PPPVLKEW C48H72N10O11 964.5383 NA PeJP NA NA +PJ104305 ALMRRRY C41H72N16O9S 964.5389 NA PeJP NA NA +MJ098851 Antibiotic PF 1022; Antiobiotic PF 1022E C52H76N4O13 964.540888 NA MeJP NA NA +PJ104306 SPVLKKMY C45H76N10O11S 964.5416 NA PeJP NA NA +PJ104307 PPVVLFFF C53H72N8O9 964.5423 NA PeJP NA NA +PJ104308 VNQHRRR C38H68N20O10 964.5428 NA PeJP NA NA +PJ104309 STTTTTLLK C41H76N10O16 964.5441 NA PeJP NA NA +PJ104310 TTLLKKMM C42H80N10O11S2 964.545 NA PeJP NA NA +PJ104311 NKKKERY C42H72N14O12 964.5454 NA PeJP NA NA +PJ104312 TLKERRY C42H72N14O12 964.5455 NA PeJP NA NA +PJ104313 PVVLLMFF C50H76N8O9S 964.5456 NA PeJP NA NA +PJ104314 PPHFRRR C43H68N18O8 964.5468 NA PeJP NA NA +PJ104315 TTLLLLEY C46H76N8O14 964.5481 NA PeJP NA NA +PJ104316 SSTKKKMR C39H76N14O12S 964.5488 NA PeJP NA NA +PJ104317 VVLLLMMF C47H80N8O9S2 964.549 NA PeJP NA NA +PJ104318 SLLKRYW C47H72N12O10 964.5495 NA PeJP NA NA +PJ104319 PLMHRRR C40H72N18O8S 964.5502 NA PeJP NA NA +PJ104320 AALLKMRY C44H76N12O10S 964.5529 NA PeJP NA NA +PJ104321 PLKKFFW C52H72N10O8 964.5535 NA PeJP NA NA +PJ104322 GQHRRRR C37H68N22O9 964.554 NA PeJP NA NA +PJ104323 SSSSTLKKK C40H76N12O15 964.5553 NA PeJP NA NA +PJ104324 ATKKKKMM C41H80N12O10S2 964.5562 NA PeJP NA NA +PJ104325 TTLRRRY C41H72N16O11 964.5567 NA PeJP NA NA +PJ104326 LLKKMFW C49H76N10O8S 964.5569 NA PeJP NA NA +PJ104327 ATLLKKEY C45H76N10O13 964.5594 NA PeJP NA NA +MJ098852 Dammarane-3,12,20,24,25,28-hexol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] C48H84O19 964.56068 NA MeJP NA NA +PJ104328 GKKKRYW C46H72N14O9 964.5607 NA PeJP NA NA +PJ104329 APLLLLYY C50H76N8O11 964.5634 NA PeJP NA NA +PJ104330 VLKMRRY C43H76N14O9S 964.5641 NA PeJP NA NA +PJ104331 SLLLLLMY C47H80N8O11S 964.5668 NA PeJP NA NA +PJ104332 VLEHRRR C40H72N18O10 964.5679 NA PeJP NA NA +PJ104333 ATTLLKRY C44H76N12O12 964.5706 NA PeJP NA NA +PJ104334 ALFFRRR C45H72N16O8 964.5719 NA PeJP NA NA +PJ104335 VVLHRRW C45H72N16O8 964.572 NA PeJP NA NA +MJ098853 BZR-Cotoxin II C48H80N6O14 964.573251 NA MeJP NA NA +PJ104336 TTTKKKKM C41H80N12O12S 964.574 NA PeJP NA NA +PJ104337 PPVLLLQW C49H76N10O10 964.5746 NA PeJP NA NA +PJ104338 CKKKFRR C42H76N16O8S 964.5753 NA PeJP NA NA +MJ098854 Sphinxolide F C52H84O16 964.575936 NA MeJP NA NA +PJ104339 GLLLKKMY C46H80N10O10S 964.578 NA PeJP NA NA +PJ104340 PPQRRRR C39H72N20O9 964.5792 NA PeJP NA NA +PJ104341 DKKKKRY C43H76N14O11 964.5818 NA PeJP NA NA +PJ104342 PPVVLERR C43H76N14O11 964.5819 NA PeJP NA NA +PJ104343 APPLLLRW C48H76N12O9 964.5859 NA PeJP NA NA +PJ104344 GVKKKKMF C45H80N12O9S 964.5892 NA PeJP NA NA +PJ104345 GKHRRRR C38H72N22O8 964.5904 NA PeJP NA NA +PJ104346 SKKKRRY C42H76N16O10 964.5931 NA PeJP NA NA +PJ104347 STLLLKKY C46H80N10O12 964.5958 NA PeJP NA NA +PJ104348 LLLKHRW C47H76N14O8 964.5971 NA PeJP NA NA +3233 bombolitin IV from venom of bumble bee (Megabombus INIKDILAKLVKVLGHVG 964.5984 MH2+ Inhouse_peptide NA peptide +PJ104349 ALLLLLFY C51H80N8O10 964.5998 NA PeJP NA NA +PJ104350 KKKKMFR C44H80N14O8S 964.6005 NA PeJP NA NA +PJ104351 GPPVKRRR C41H76N18O9 964.6043 NA PeJP NA NA +PJ104352 GTLKKKKY C45H80N12O11 964.607 NA PeJP NA NA +PJ104353 PPVLLLKW C50H80N10O9 964.611 NA PeJP NA NA +PJ104354 LLLLLLMH C47H84N10O9S 964.6144 NA PeJP NA NA +PJ104355 PPKRRRR C40H76N20O8 964.6156 NA PeJP NA NA +PJ104356 PPTLLLRR C44H80N14O10 964.6182 NA PeJP NA NA +PJ104357 APPLKKRR C43H80N16O9 964.6295 NA PeJP NA NA +PJ104358 SPPVVILLK C47H84N10O11 964.6321 NA PeJP NA NA +PJ104359 APPTLLLLK C47H84N10O11 964.6322 NA PeJP NA NA +PJ104360 LKKKHRR C42H80N18O8 964.6407 NA PeJP NA NA +PJ104361 PLLLLLQR C46H84N12O10 964.6434 NA PeJP NA NA +PJ104362 PVVLLLRR C45H84N14O9 964.6546 NA PeJP NA NA +PJ104363 GPVLLLLLK C48H88N10O10 964.6685 NA PeJP NA NA +PJ104364 PLLLLLKR C47H88N12O9 964.6798 NA PeJP NA NA +HMDB05419 TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C63H112O6 964.845886 NA HMDB2010 NA NA +HMDB05419 TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C63H112O6 964.84589 http://www.hmdb.ca/metabolites/HMDB05419 HMDB NA NA +HMDB05419 TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] C63H112O6 964.84589 HMDB05419 PFEM_hmdb_metabocards_official NA NA +PJ104365 SCCCCCDDD C30H47N9O17S5 965.1694 NA PeJP NA NA +PJ104366 PCCCCCCCE C31H51N9O12S7 965.1703 NA PeJP NA NA +PJ104367 GCCCCCDEM C31H51N9O14S6 965.188 NA PeJP NA NA +PJ104368 SCCCCCCNQ C30H51N11O13S6 965.1992 NA PeJP NA NA +PJ104369 GGSCCCCCCQ C30H51N11O13S6 965.1993 NA PeJP NA NA +PJ104370 CCCCCDMW C35H51N9O11S6 965.2033 NA PeJP NA NA +PJ104371 SSCCCCDDM C31H51N9O16S5 965.2058 NA PeJP NA NA +PJ104372 PTCCCCCCM C32H55N9O11S7 965.2066 NA PeJP NA NA +PJ104373 GSSSCCCCCN C30H51N11O15S5 965.217 NA PeJP NA NA +PJ104374 GPCCCCCDY C35H51N9O13S5 965.221 NA PeJP NA NA +PJ104375 GSCCCCEMM C32H55N9O13S6 965.2244 NA PeJP NA NA +PJ104376 GCCCCCNNF C34H51N11O12S5 965.2323 NA PeJP NA NA +PJ104377 SCCCCCCNK C31H55N11O12S6 965.2356 NA PeJP NA NA +PJ104378 CCCNDDMY C35H51N9O15S4 965.2388 NA PeJP NA NA +PJ104379 SCCCCMMW C36H55N9O10S6 965.2397 NA PeJP NA NA +PJ104380 SSSCCCDMM C32H55N9O15S5 965.2422 NA PeJP NA NA +PJ104381 CCCNMMMM C33H59N9O10S7 965.243 NA PeJP NA NA +PJ104382 GTCCCCCHH C33H51N13O11S5 965.2435 NA PeJP NA NA +PJ104383 GSCCDDDDH C33H47N11O19S2 965.2492 NA PeJP NA NA +PJ104384 GSCCCCNNY C34H51N11O14S4 965.25 NA PeJP NA NA +PJ104385 GCCCCEYW C39H51N9O12S4 965.254 NA PeJP NA NA +PJ104386 GPCDDDDDD C34H47N9O22S 965.2557 NA PeJP NA NA +PJ104387 GSSCCCDEY C35H51N9O17S3 965.2565 NA PeJP NA NA +PJ104388 GSPCCCCMY C36H55N9O12S5 965.2574 NA PeJP NA NA +PJ104389 GSTCCCMMM C33H59N9O12S6 965.2608 NA PeJP NA NA +PJ104390 SSSCCCCHH C33H51N13O13S4 965.2612 NA PeJP NA NA +PJ104391 PCCCCDHW C38H51N11O11S4 965.2653 NA PeJP NA NA +PJ104392 CCNDDEMH C34H51N11O16S3 965.2678 NA PeJP NA NA +PJ104393 CCCCCEFR C35H55N11O11S5 965.2687 NA PeJP NA NA +PJ104394 CCCCYWW C43H51N9O9S4 965.2693 NA PeJP NA NA +PJ104395 SSCCCDYW C39H51N9O14S3 965.2718 NA PeJP NA NA +PJ104396 ACCCCMFW C40H55N9O9S5 965.2727 NA PeJP NA NA +PJ104397 NDDDDDEE C34H47N9O24 965.2734 NA PeJP NA NA +PJ104398 GADDDDDDE C34H47N9O24 965.2735 NA PeJP NA NA +PJ104399 SSSSCCDDY C35H51N9O19S2 965.2743 NA PeJP NA NA +PJ104400 SCCNDMMY C36H55N9O14S4 965.2752 NA PeJP NA NA +PJ104401 CCCCNHHF C37H51N13O10S4 965.2765 NA PeJP NA NA +HMDB03936 (S)-3-Hydroxydodecanoyl-CoA C33H58N7O18P3S 965.27716 http://www.hmdb.ca/metabolites/HMDB03936 HMDB NA NA +HMDB03936 (S)-3-Hydroxydodecanoyl-CoA C33H58N7O18P3S 965.27716 HMDB03936 PFEM_hmdb_metabocards_official NA NA +HMDB03936 (S)-3-Hydroxydodecanoyl-CoA C33H58N7O18P3S 965.277161 NA HMDB2010 NA NA +MJ098855 (S)-3-Hydroxydodecanoyl-CoA C33H58N7O18P3S 965.277188 NA MeJP NA NA +C05262 (S)-3-Hydroxydodecanoyl-CoA C33H58N7O18P3S 965.2772 NA KEGG NA NA +PJ104402 SSSSCCMMM C33H59N9O14S5 965.2785 NA PeJP NA NA +PJ104403 CCCDDDHR C33H51N13O15S3 965.279 NA PeJP NA NA +PJ104404 GCCDDMHW C38H51N11O13S3 965.283 NA PeJP NA NA +PJ104405 GSNNDDDDD C33H47N11O23 965.2847 NA PeJP NA NA +PJ104406 GSSCDDDMH C34H51N11O18S2 965.2855 NA PeJP NA NA +PJ104407 GGGPCCNDDE C34H51N11O18S2 965.2856 NA PeJP NA NA +PJ104408 SCCCCERY C35H55N11O13S4 965.2864 NA PeJP NA NA +PJ104409 GDDDDDEW C38H47N9O21 965.2887 NA PeJP NA NA +PJ104410 GCCNDEYY C39H51N9O16S2 965.2896 NA PeJP NA NA +PJ104411 GTCCCMYW C40H55N9O11S4 965.2904 NA PeJP NA NA +PJ104412 GSPDDDDDM C35H51N9O21S 965.2921 NA PeJP NA NA +PJ104413 GSSSCCEMY C36H55N9O16S3 965.2929 NA PeJP NA NA +PJ104414 GCCQMMMY C37H59N9O11S5 965.2938 NA PeJP NA NA +PJ104415 SCCCNNHW C37H51N13O12S3 965.2943 NA PeJP NA NA +PJ104416 SSSCCNNDH C33H51N13O17S2 965.2968 NA PeJP NA NA +PJ104417 CCNNNMMH C34H55N13O12S4 965.2976 NA PeJP NA NA +PJ104418 GGGGGGCCMMH C34H55N13O12S4 965.2977 NA PeJP NA NA +PJ104419 CCCEHWW C42H51N11O10S3 965.2983 NA PeJP NA NA +PJ104420 SSCCDEHW C38H51N11O15S2 965.3008 NA PeJP NA NA +PJ104421 SPCCCMHW C39H55N11O10S4 965.3017 NA PeJP NA NA +PJ104422 SSSSCDDEH C34H51N11O20S 965.3033 NA PeJP NA NA +PJ104423 DDDDDWW C42H47N9O18 965.304 NA PeJP NA NA +PJ104424 SCNDEMMH C35H55N11O15S3 965.3042 NA PeJP NA NA +PJ104425 CCNDYYW C43H51N9O13S2 965.3048 NA PeJP NA NA +PJ104426 GCCCMMRY C36H59N11O10S5 965.305 NA PeJP NA NA +PJ104427 SPCDDDEW C39H51N9O18S 965.3073 NA PeJP NA NA +PJ104428 GCCNNNNNN C32H51N15O16S2 965.308 NA PeJP NA NA +PJ104429 GGGGGGGGGGGGGCC C32H51N15O16S2 965.3081 NA PeJP NA NA +PJ104430 SSSCCMYW C40H55N9O13S3 965.3082 NA PeJP NA NA +PJ104431 CCCCNQHR C33H55N15O11S4 965.3089 NA PeJP NA NA +PJ104432 SNDDEEEE C35H51N9O23 965.3098 NA PeJP NA NA +PJ104433 SSSSSCDMY C36H55N9O18S2 965.3107 NA PeJP NA NA +PJ104434 SSCNMMMY C37H59N9O13S4 965.3115 NA PeJP NA NA +PJ104435 GGSSCMMMY C37H59N9O13S4 965.3116 NA PeJP NA NA +PJ104436 CCNNNDHF C37H51N13O14S2 965.312 NA PeJP NA NA +PJ104437 GGGGGGCCDHF C37H51N13O14S2 965.3121 NA PeJP NA NA +PJ104438 CNNDDDDR C33H51N13O19S 965.3145 NA PeJP NA NA +PJ104439 GGGGCDDDDR C33H51N13O19S 965.3146 NA PeJP NA NA +PJ104440 DDEMMYY C41H55N7O16S2 965.3147 NA PeJP NA NA +PJ104441 SCCDDMHR C34H55N13O14S3 965.3154 NA PeJP NA NA +PJ104442 ACNNDDEW C38H51N11O17S 965.3185 NA PeJP NA NA +PJ104443 GNNDDDMW C38H51N11O17S 965.3186 NA PeJP NA NA +PJ104444 EMMMMMY C39H63N7O11S5 965.3189 NA PeJP NA NA +PJ104445 GSCDMMHW C39H55N11O12S3 965.3194 NA PeJP NA NA +PJ104446 GSSNDDDQE C34H51N11O22 965.321 NA PeJP NA NA +PJ104447 SDDDDDER C34H51N11O22 965.3211 NA PeJP NA NA +PJ104448 PCDDDDMR C35H55N11O17S2 965.3219 NA PeJP NA NA +PJ104449 STCCCMRY C36H59N11O12S4 965.3228 NA PeJP NA NA +PJ104450 SCCNEHHH C36H51N15O13S2 965.3233 NA PeJP NA NA +PJ104451 CCNMFYW C44H55N9O10S3 965.3234 NA PeJP NA NA +PJ104452 GSDDEEEW C39H51N9O20 965.3251 NA PeJP NA NA +PJ104453 GSCNEMYY C40H55N9O15S2 965.3259 NA PeJP NA NA +PJ104454 GPDDDMMW C40H55N9O15S2 965.326 NA PeJP NA NA +PJ104455 GSSCCCNHR C33H55N15O13S3 965.3266 NA PeJP NA NA +PJ104456 PCCCCKFY C41H59N9O10S4 965.3268 NA PeJP NA NA +PJ104457 GSSPDDEEM C36H55N9O20S 965.3284 NA PeJP NA NA +PJ104458 GNEEEEEM C36H55N9O20S 965.3285 NA PeJP NA NA +PJ104459 DDDEFYY C44H51N7O18 965.3291 NA PeJP NA NA +PJ104460 GSSSTCMMY C37H59N9O15S3 965.3293 NA PeJP NA NA +PJ104461 SCNNNNDW C37H51N13O16S 965.3298 NA PeJP NA NA +PJ104462 GCCKMMMY C38H63N9O10S5 965.3302 NA PeJP NA NA +PJ104463 SSSNNNNDD C33H51N13O21 965.3323 NA PeJP NA NA +PJ104464 SSSSCNNMH C34H55N13O16S2 965.3331 NA PeJP NA NA +PJ104465 GSPCCNDDR C34H55N13O16S2 965.3332 NA PeJP NA NA +PJ104466 DEMMMFY C42H59N7O13S3 965.3333 NA PeJP NA NA +HMDB06588 Disialosyl galactosyl globoside C36H59N3O27 965.333618 NA HMDB2010 NA NA +HMDB06588 Disialosyl galactosyl globoside C36H59N3O27 965.33362 http://www.hmdb.ca/metabolites/HMDB06588 HMDB NA NA +HMDB06588 Disialosyl galactosyl globoside C36H59N3O27 965.33362 HMDB06588 PFEM_hmdb_metabocards_official NA NA +PJ104467 CNNDEWW C42H51N11O14S 965.3338 NA PeJP NA NA +PJ104468 GCCEMMHR C35H59N13O11S4 965.334 NA PeJP NA NA +PJ104469 TCCMHWW C43H55N11O9S3 965.3347 NA PeJP NA NA +PJ104470 SSNNDDEW C38H51N11O19 965.3363 NA PeJP NA NA +PJ104471 SSSCEMHW C39H55N11O14S2 965.3372 NA PeJP NA NA +PJ104472 CQMMMHW C40H59N11O9S4 965.338 NA PeJP NA NA +PJ104473 GACMMMHW C40H59N11O9S4 965.3381 NA PeJP NA NA +PJ104474 GSCCHHHW C40H51N15O10S2 965.3385 NA PeJP NA NA +PJ104475 GDDDEEMR C35H55N11O19S 965.3397 NA PeJP NA NA +PJ104476 SDDEEWW C43H51N9O17 965.3403 NA PeJP NA NA +PJ104477 SSNEMMMH C36H59N11O14S3 965.3405 NA PeJP NA NA +PJ104478 GGSSEMMMH C36H59N11O14S3 965.3406 NA PeJP NA NA +PJ104479 GSSSCDHHH C36H51N15O15S 965.341 NA PeJP NA NA +PJ104480 PCDEMWW C44H55N9O12S2 965.3412 NA PeJP NA NA +PJ104481 GCNMMHHH C37H55N15O10S3 965.3419 NA PeJP NA NA +PJ104482 NEEEEMW C40H55N9O17S 965.3437 NA PeJP NA NA +PJ104483 CCNNNNER C33H55N15O15S2 965.3444 NA PeJP NA NA +PJ104484 SPPCDMMW C41H59N9O12S3 965.3446 NA PeJP NA NA +PJ104485 GPCDDHHW C41H51N13O13S 965.3451 NA PeJP NA NA +PJ104486 CCCCNKHR C34H59N15O10S4 965.3453 NA PeJP NA NA +PJ104487 SSQEEEEE C36H55N9O22 965.3462 NA PeJP NA NA +PJ104488 SSSSSSMMY C37H59N9O17S2 965.347 NA PeJP NA NA +PJ104489 SSSSTTCMY C37H59N9O17S2 965.3471 NA PeJP NA NA +PJ104490 NNNNNDDF C37H51N13O18 965.3475 NA PeJP NA NA +PJ104491 GGGGNNNDDF C37H51N13O18 965.3476 NA PeJP NA NA +PJ104492 PDDMYYY C45H55N7O15S 965.3477 NA PeJP NA NA +PJ104493 STCCKMMY C38H63N9O12S4 965.3479 NA PeJP NA NA +PJ104494 GGPPDMMMM C38H63N9O12S4 965.348 NA PeJP NA NA +PJ104495 GCNNNQMW C38H55N13O13S2 965.3484 NA PeJP NA NA +PJ104496 GCNDWWW C46H51N11O11S 965.3491 NA PeJP NA NA +PJ104497 CCMMHRW C39H59N13O8S4 965.3493 NA PeJP NA NA +PJ104498 SNNDDDMR C34H55N13O18S 965.3509 NA PeJP NA NA +PJ104499 TEEMMYY C42H59N7O15S2 965.3511 NA PeJP NA NA +PJ104500 GSSNDDWW C42H51N11O16 965.3516 NA PeJP NA NA +PJ104501 SSCDMMHR C35H59N13O13S3 965.3518 NA PeJP NA NA +PJ104502 PMMMMYY C43H63N7O10S4 965.352 NA PeJP NA NA +PJ104503 CNNNNNHH C35H51N17O14S 965.3522 NA PeJP NA NA +PJ104504 GGCNNNNHH C35H51N17O14S 965.3523 NA PeJP NA NA +PJ104505 GSPCCQWW C43H55N11O11S2 965.3524 NA PeJP NA NA +PJ104506 ACCCHHHR C36H55N17O9S3 965.3531 NA PeJP NA NA +PJ104507 DDDEMRW C39H55N11O16S 965.3549 NA PeJP NA NA +PJ104508 GGGGGSEEMW C39H55N11O16S 965.355 NA PeJP NA NA +PJ104509 GSSMMMHW C40H59N11O11S3 965.3558 NA PeJP NA NA +PJ104510 GCNDHHHF C40H51N15O12S 965.3563 NA PeJP NA NA +PJ104511 CCNFFFW C48H55N9O9S2 965.3564 NA PeJP NA NA +PJ104512 GGCCFFFW C48H55N9O9S2 965.3565 NA PeJP NA NA +PJ104513 SSDDEEER C35H55N11O21 965.3574 NA PeJP NA NA +PJ104514 GGGGGSSTEEE C35H55N11O21 965.3575 NA PeJP NA NA +PJ104515 SPDDDMMR C36H59N11O16S2 965.3583 NA PeJP NA NA +PJ104516 GDDDDHHR C36H51N15O17 965.3588 NA PeJP NA NA +PJ104517 GSSTCYYW C44H55N9O14S 965.3589 NA PeJP NA NA +PJ104518 GEEEMWW C44H55N9O14S 965.359 NA PeJP NA NA +PJ104519 PPCCEMMR C37H63N11O11S4 965.3592 NA PeJP NA NA +PJ104520 GCCNNNRW C37H55N15O12S2 965.3596 NA PeJP NA NA +PJ104521 GGGCCNNRW C37H55N15O12S2 965.3597 NA PeJP NA NA +PJ104522 GSSSSSEYY C40H55N9O19 965.3614 NA PeJP NA NA +PJ104523 GSTEEEEW C40H55N9O19 965.3615 NA PeJP NA NA +PJ104524 GSSCNNNDR C33H55N15O17S 965.3621 NA PeJP NA NA +PJ104525 GGGSSCNNDR C33H55N15O17S 965.3622 NA PeJP NA NA +PJ104526 GSPEEMMW C41H59N9O14S2 965.3623 NA PeJP NA NA +PJ104527 NDEEHHW C41H51N13O15 965.3628 NA PeJP NA NA +PJ104528 PCCCNDRR C34H59N15O12S3 965.363 NA PeJP NA NA +PJ104529 APPCMMMW C42H63N9O9S4 965.3632 NA PeJP NA NA +PJ104530 CCDHFRW C42H55N13O10S2 965.3637 NA PeJP NA NA +PJ104531 GDKEEEEM C37H59N9O19S 965.3648 NA PeJP NA NA +PJ104532 AEEEYYY C45H55N7O17 965.3655 NA PeJP NA NA +PJ104533 APQEEMMM C38H63N9O14S3 965.3657 NA PeJP NA NA +PJ104534 GSCNDERW C38H55N13O15S 965.3662 NA PeJP NA NA +PJ104535 PDMMFYY C46H59N7O12S2 965.3663 NA PeJP NA NA +PJ104536 DEMMFFF C46H59N7O12S2 965.3664 NA PeJP NA NA +PJ104537 GPCCNMRW C39H59N13O10S3 965.367 NA PeJP NA NA +PJ104538 GGGPCCMRW C39H59N13O10S3 965.3671 NA PeJP NA NA +PJ104539 GCMHFWW C47H55N11O8S2 965.3677 NA PeJP NA NA +PJ104540 SSTTNNNND C34H55N13O20 965.3686 NA PeJP NA NA +PJ104541 GSSSNDDER C34H55N13O20 965.3687 NA PeJP NA NA +PJ104542 GNNDEMMR C35H59N13O15S2 965.3695 NA PeJP NA NA +PJ104543 GGGNDEMMR C35H59N13O15S2 965.3696 NA PeJP NA NA +PJ104544 VEMMMYY C43H63N7O12S3 965.3697 NA PeJP NA NA +PJ104545 SNNEMWW C43H55N11O13S 965.3702 NA PeJP NA NA +PJ104546 GTCMMMHR C36H63N13O10S4 965.3704 NA PeJP NA NA +PJ104547 SSCCHHHR C36H55N17O11S2 965.3709 NA PeJP NA NA +PJ104548 SSSNQEEW C39H55N11O18 965.3727 NA PeJP NA NA +PJ104549 SSSTMMHW C40H59N11O13S2 965.3736 NA PeJP NA NA +PJ104550 GSNNDHHW C40H51N15O14 965.374 NA PeJP NA NA +PJ104551 GGGGGSDHHW C40H51N15O14 965.3741 NA PeJP NA NA +PJ104552 EEMWWW C48H55N9O11S 965.3742 NA PeJP NA NA +PJ104553 CKMMMHW C41H63N11O8S4 965.3744 NA PeJP NA NA +PJ104554 SSSSTTEMH C36H59N11O18S 965.376 NA PeJP NA NA +PJ104555 GSEEEEMR C36H59N11O18S 965.3761 NA PeJP NA NA +PJ104556 STEEEWW C44H55N9O16 965.3767 NA PeJP NA NA +PJ104557 GPDEMMMR C37H63N11O13S3 965.3769 NA PeJP NA NA +PJ104558 GGGGPCKEMM C37H63N11O13S3 965.377 NA PeJP NA NA +PJ104559 SPCDDHHR C37H55N15O14S 965.3774 NA PeJP NA NA +PJ104560 SPEMMWW C45H59N9O11S2 965.3776 NA PeJP NA NA +PJ104561 GDEHHWW C45H51N13O12 965.3781 NA PeJP NA NA +PJ104562 ACCKMHHH C38H59N15O9S3 965.3783 NA PeJP NA NA +PJ104563 DKEEEMW C41H59N9O16S 965.3801 NA PeJP NA NA +PJ104564 PDDFFYY C49H55N7O14 965.3807 NA PeJP NA NA +PJ104565 GCNDDMRR C34H59N15O14S2 965.3808 NA PeJP NA NA +PJ104566 CQKMMYY C42H63N9O11S3 965.3809 NA PeJP NA NA +PJ104567 AAPEMMMW C42H63N9O11S3 965.381 NA PeJP NA NA +PJ104568 SCNDRWW C42H55N13O12S 965.3814 NA PeJP NA NA +PJ104569 GGGGGGACHFF C42H55N13O12S 965.3815 NA PeJP NA NA +PJ104570 SSKEEEEE C37H59N9O21 965.3826 NA PeJP NA NA +PJ104571 GLQEEEMM C38H63N9O16S2 965.3835 NA PeJP NA NA +PJ104572 SSSNDDRW C38H55N13O17 965.3839 NA PeJP NA NA +PJ104573 GGGGGGGGAQEY C38H55N13O17 965.384 NA PeJP NA NA +PJ104574 PTEMYYY C46H59N7O14S 965.3841 NA PeJP NA NA +PJ104575 PPTQMMMM C39H67N9O11S4 965.3843 NA PeJP NA NA +PJ104576 NNDMMRW C39H59N13O12S2 965.3848 NA PeJP NA NA +PJ104577 PMMMFFY C47H63N7O9S3 965.385 NA PeJP NA NA +PJ104578 GSNMWWW C47H55N11O10S 965.3854 NA PeJP NA NA +PJ104579 GGGSMWWW C47H55N11O10S 965.3855 NA PeJP NA NA +PJ104580 MMHHHHH C40H55N17O8S2 965.3861 NA PeJP NA NA +PJ104581 SSNNEEMR C35H59N13O17S 965.3873 NA PeJP NA NA +PJ104582 GSSSQEWW C43H55N11O15 965.3879 NA PeJP NA NA +PJ104583 GGGSSTEWW C43H55N11O15 965.388 NA PeJP NA NA +PJ104584 SSSMMMHR C36H63N13O12S3 965.3882 NA PeJP NA NA +PJ104585 LMMMMFY C44H67N7O9S4 965.3883 NA PeJP NA NA +PJ104586 GCNNEHHR C36H55N17O13S 965.3886 NA PeJP NA NA +PJ104587 GGGCNEHHR C36H55N17O13S 965.3887 NA PeJP NA NA +PJ104588 GQQMMWW C44H59N11O10S2 965.3888 NA PeJP NA NA +PJ104589 SEEEMRW C40H59N11O15S 965.3913 NA PeJP NA NA +PJ104590 GPEEYWW C48H55N9O13 965.392 NA PeJP NA NA +PJ104591 PDMMMRW C41H63N11O10S3 965.3922 NA PeJP NA NA +PJ104592 CQQQHHW C41H55N15O11S 965.3926 NA PeJP NA NA +PJ104593 NNQMHHW C41H55N15O11S 965.3927 NA PeJP NA NA +PJ104594 PPCMFWW C49H59N9O8S2 965.3928 NA PeJP NA NA +PJ104595 DHHWWW C49H51N13O9 965.3933 NA PeJP NA NA +PJ104596 SSTEEEER C36H59N11O20 965.3938 NA PeJP NA NA +PJ104597 AAEEEMMR C37H63N11O15S2 965.3947 NA PeJP NA NA +PJ104598 GNNNNDRY C37H55N15O16 965.3952 NA PeJP NA NA +PJ104599 SVEEMWW C45H59N9O13S 965.3953 NA PeJP NA NA +PJ104600 GAPEEMFW C45H59N9O13S 965.3954 NA PeJP NA NA +PJ104601 PPTCMMMR C38H67N11O10S4 965.3956 NA PeJP NA NA +PJ104602 CCNERRW C38H59N15O11S2 965.396 NA PeJP NA NA +PJ104603 GGGAPCCKHH C38H59N15O11S2 965.3961 NA PeJP NA NA +PJ104604 PCLMMWW C46H63N9O8S3 965.3962 NA PeJP NA NA +PJ104605 GNNNHHHH C38H51N19O12 965.3965 NA PeJP NA NA +PJ104606 PTCHHWW C46H55N13O9S 965.3967 NA PeJP NA NA +PJ104607 SSSLEEEW C41H59N9O18 965.3978 NA PeJP NA NA +PJ104608 GPDKEEEY C41H59N9O18 965.3979 NA PeJP NA NA +PJ104609 SSCNDERR C34H59N15O16S 965.3985 NA PeJP NA NA +PJ104610 GGGGGGGSSSMR C34H59N15O16S 965.3986 NA PeJP NA NA +PJ104611 LQEEMMW C42H63N9O13S2 965.3987 NA PeJP NA NA +PJ104612 NNNQQYW C42H55N13O14 965.3992 NA PeJP NA NA +PJ104613 PDMFFFY C50H59N7O11S 965.3994 NA PeJP NA NA +PJ104614 ACNMRWW C43H59N13O9S2 965.4 NA PeJP NA NA +PJ104615 GCQMRWW C43H59N13O9S2 965.4001 NA PeJP NA NA +PJ104616 DHHHHHF C43H51N17O10 965.4005 NA PeJP NA NA +PJ104617 ATKEEEEM C38H63N9O18S 965.4012 NA PeJP NA NA +PJ104618 SLEEYYY C46H59N7O16 965.4019 NA PeJP NA NA +PJ104619 APKEEMMM C39H67N9O13S3 965.4021 NA PeJP NA NA +PJ104620 ASSCQERW C39H59N13O14S 965.4025 NA PeJP NA NA +PJ104621 GSSNEMRW C39H59N13O14S 965.4026 NA PeJP NA NA +PJ104622 PVMMYYY C47H63N7O11S2 965.4027 NA PeJP NA NA +PJ104623 SSSQWWW C47H55N11O12 965.4032 NA PeJP NA NA +PJ104624 APCCCKRW C40H63N13O9S3 965.4034 NA PeJP NA NA +PJ104625 CNNHHRW C40H55N17O10S 965.4039 NA PeJP NA NA +PJ104626 ASSSSDQER C35H59N13O19 965.405 NA PeJP NA NA +PJ104627 GSSSSQEER C35H59N13O19 965.4051 NA PeJP NA NA +PJ104628 DEEMMRR C36H63N13O14S2 965.4059 NA PeJP NA NA +PJ104629 GGGGGGGGTKMM C36H63N13O14S2 965.406 NA PeJP NA NA +PJ104630 SSNNDHHR C36H55N17O15 965.4064 NA PeJP NA NA +PJ104631 SNDKMWW C44H59N11O12S 965.4066 NA PeJP NA NA +PJ104632 PEYWWW C52H55N9O10 965.4072 NA PeJP NA NA +PJ104633 SSSNKEEW C40H59N11O17 965.4091 NA PeJP NA NA +PJ104634 CLEEMRW C41H63N11O12S2 965.4099 NA PeJP NA NA +PJ104635 VDEMMRW C41H63N11O12S2 965.41 NA PeJP NA NA +PJ104636 SDEHHRW C41H55N15O13 965.4104 NA PeJP NA NA +PJ104637 GGGGGGGGAPHW C41H55N15O13 965.4105 NA PeJP NA NA +PJ104638 SPPMYWW C49H59N9O10S 965.4106 NA PeJP NA NA +PJ104639 GCCRRWW C42H59N15O8S2 965.4113 NA PeJP NA NA +PJ104640 SSTTTTTMH C37H63N11O17S 965.4124 NA PeJP NA NA +PJ104641 ATTEEEMR C37H63N11O17S 965.4125 NA PeJP NA NA +PJ104642 PDKEEYW C45H59N9O15 965.4131 NA PeJP NA NA +PJ104643 APTEMMMR C38H67N11O12S3 965.4133 NA PeJP NA NA +PJ104644 GSSCDRRW C38H59N15O13S 965.4138 NA PeJP NA NA +PJ104645 ALEMMWW C46H63N9O10S2 965.414 NA PeJP NA NA +PJ104646 ATEHHWW C46H55N13O11 965.4144 NA PeJP NA NA +PJ104647 GGPEHHFW C46H55N13O11 965.4145 NA PeJP NA NA +PJ104648 GSSSSDDRR C34H59N15O18 965.4163 NA PeJP NA NA +PJ104649 GTTLEEMW C42H63N9O15S 965.4165 NA PeJP NA NA +PJ104650 PPTYYYY C50H59N7O13 965.4171 NA PeJP NA NA +PJ104651 GSNDMMRR C35H63N15O13S2 965.4172 NA PeJP NA NA +PJ104652 GPTLMMMW C43H67N9O10S3 965.4173 NA PeJP NA NA +PJ104653 AAAPPMMMF C43H67N9O10S3 965.4174 NA PeJP NA NA +PJ104654 SSNMRWW C43H59N13O11S 965.4178 NA PeJP NA NA +PJ104655 PMMFFFF C51H63N7O8S2 965.418 NA PeJP NA NA +PJ104656 NQFWWW C51H55N11O9 965.4185 NA PeJP NA NA +PJ104657 TTTKEEEE C38H63N9O20 965.419 NA PeJP NA NA +PJ104658 AVKEEEMM C39H67N9O15S2 965.4198 NA PeJP NA NA +PJ104659 GLKEEEMM C39H67N9O15S2 965.4199 NA PeJP NA NA +PJ104660 SSSSQERW C39H59N13O16 965.4203 NA PeJP NA NA +PJ104661 GGGGGGGGAPPPE C39H59N13O16 965.4204 NA PeJP NA NA +PJ104662 VVEMYYY C47H63N7O13S 965.4205 NA PeJP NA NA +PJ104663 PPTKMMMM C40H71N9O10S4 965.4207 NA PeJP NA NA +PJ104664 SQQMMRW C40H63N13O11S2 965.4212 NA PeJP NA NA +PJ104665 LMMMFFF C48H67N7O8S3 965.4214 NA PeJP NA NA +PJ104666 AAQEHHHH C40H55N17O12 965.4217 NA PeJP NA NA +PJ104667 GTCKWWW C48H59N11O9S 965.4218 NA PeJP NA NA +PJ104668 SSNDKEMR C36H63N13O16S 965.4237 NA PeJP NA NA +PJ104669 GSSSKEWW C44H59N11O14 965.4243 NA PeJP NA NA +PJ104670 GGGGGALEYW C44H59N11O14 965.4244 NA PeJP NA NA +PJ104671 AAQQMMMR C37H67N13O11S3 965.4246 NA PeJP NA NA +PJ104672 DDMHHRR C37H59N17O12S 965.425 NA PeJP NA NA +PJ104673 GQKMMWW C45H63N11O9S2 965.4252 NA PeJP NA NA +PJ104674 NQHHHFF C45H55N15O10 965.4257 NA PeJP NA NA +PJ104675 GSTQKEMW C41H63N11O14S 965.4277 NA PeJP NA NA +PJ104676 GSKYYYW C49H59N9O12 965.4283 NA PeJP NA NA +PJ104677 SPVEYWW C49H59N9O12 965.4284 NA PeJP NA NA +PJ104678 APCCKKMW C42H67N11O9S3 965.4286 NA PeJP NA NA +PJ104679 AEMHHRW C42H59N15O10S 965.429 NA PeJP NA NA +PJ104680 VCEHHRW C42H59N15O10S 965.4291 NA PeJP NA NA +PJ104681 GPHHFWW C50H55N13O8 965.4297 NA PeJP NA NA +PJ104682 TTTTEEER C37H63N11O19 965.4302 NA PeJP NA NA +PJ104683 GTLEEMMR C38H67N11O14S2 965.4311 NA PeJP NA NA +PJ104684 NNDERRY C38H59N15O15 965.4315 NA PeJP NA NA +PJ104685 GGNDERRY C38H59N15O15 965.4316 NA PeJP NA NA +PJ104686 TTLEMWW C46H63N9O12S 965.4317 NA PeJP NA NA +PJ104687 GPLMMMMR C39H71N11O9S4 965.432 NA PeJP NA NA +PJ104688 SCQMRRW C39H63N15O10S2 965.4324 NA PeJP NA NA +PJ104689 NEHHHHR C39H55N19O11 965.4329 NA PeJP NA NA +PJ104690 GLMHHWW C47H59N13O8S 965.4331 NA PeJP NA NA +PJ104691 STTTLEEW C42H63N9O17 965.4342 NA PeJP NA NA +PJ104692 SSSNEMRR C35H63N15O15S 965.4349 NA PeJP NA NA +PJ104693 LKEEMMW C43H67N9O12S2 965.4351 NA PeJP NA NA +PJ104694 GSSSTRWW C43H59N13O13 965.4356 NA PeJP NA NA +PJ104695 PVMFFYY C51H63N7O10S 965.4357 NA PeJP NA NA +PJ104696 NQMMMRR C36H67N15O10S3 965.4358 NA PeJP NA NA +PJ104697 GSCNHHRR C36H59N19O11S 965.4363 NA PeJP NA NA +PJ104698 GCKMRWW C44H63N13O8S2 965.4364 NA PeJP NA NA +PJ104699 VNHHHHW C44H55N17O9 965.4369 NA PeJP NA NA +PJ104700 STLKEEEM C39H67N9O17S 965.4376 NA PeJP NA NA +PJ104701 SPLKEMMM C40H71N9O12S3 965.4385 NA PeJP NA NA +PJ104702 GSSDKMRW C40H63N13O13S 965.4389 NA PeJP NA NA +PJ104703 GGGGSSCKKW C40H63N13O13S 965.439 NA PeJP NA NA +PJ104704 VLMMFYY C48H67N7O10S2 965.4391 NA PeJP NA NA +PJ104705 SSSKWWW C48H59N11O11 965.4396 NA PeJP NA NA +PJ104706 APCKHHHH C41H59N17O9S 965.4403 NA PeJP NA NA +PJ104707 GSSSSKEER C36H63N13O18 965.4414 NA PeJP NA NA +PJ104708 GGGGSSSSDKK C36H63N13O18 965.4415 NA PeJP NA NA +PJ104709 GSQKEMMR C37H67N13O13S2 965.4423 NA PeJP NA NA +PJ104710 GPNDDHRR C37H59N17O14 965.4428 NA PeJP NA NA +PJ104711 STQKMWW C45H63N11O11S 965.4429 NA PeJP NA NA +PJ104712 TTNKMWW C45H63N11O11S 965.443 NA PeJP NA NA +PJ104713 LEFWWW C53H59N9O9 965.4436 NA PeJP NA NA +PJ104714 SCCRRRW C38H63N17O9S2 965.4437 NA PeJP NA NA +PJ104715 SSSSSPTKW C41H63N11O16 965.4454 NA PeJP NA NA +PJ104716 SSSDKKEW C41H63N11O16 965.4455 NA PeJP NA NA +PJ104717 SSSCDRRR C34H63N17O14S 965.4462 NA PeJP NA NA +PJ104718 TLEMMRW C42H67N11O11S2 965.4463 NA PeJP NA NA +PJ104719 GGGAAPKMMF C42H67N11O11S2 965.4464 NA PeJP NA NA +PJ104720 GNDRRYW C42H59N15O12 965.4468 NA PeJP NA NA +PJ104721 APLMYWW C50H63N9O9S 965.447 NA PeJP NA NA +PJ104722 GHHHHRW C43H55N19O8 965.4482 NA PeJP NA NA +PJ104723 STTLEEMR C38H67N11O16S 965.4488 NA PeJP NA NA +PJ104724 VLQEEYW C46H63N9O14 965.4495 NA PeJP NA NA +PJ104725 GVLEMMMR C39H71N11O11S3 965.4497 NA PeJP NA NA +PJ104726 GSSSMRRW C39H63N15O12S 965.4502 NA PeJP NA NA +PJ104727 SLLMMWW C47H67N9O9S2 965.4503 NA PeJP NA NA +PJ104728 AAPLMMFW C47H67N9O9S2 965.4504 NA PeJP NA NA +PJ104729 QQRYWW C47H59N13O10 965.4508 NA PeJP NA NA +PJ104730 GSSSSTERR C35H63N15O17 965.4527 NA PeJP NA NA +PJ104731 SSTLLEMW C43H67N9O14S 965.4528 NA PeJP NA NA +PJ104732 SSTILEMW C43H67N9O14S 965.4529 NA PeJP NA NA +MJ098856 Antibiotic Q 6402A; Homologue (n = 4) C51H63N7O12 965.45347 NA MeJP NA NA +PJ104733 PVVYYYY C51H63N7O12 965.4535 NA PeJP NA NA +PJ104734 GGGTTMMRR C36H67N15O12S2 965.4536 NA PeJP NA NA +PJ104735 AALLMMMW C44H71N9O9S3 965.4537 NA PeJP NA NA +PJ104736 STCKRWW C44H63N13O10S 965.4542 NA PeJP NA NA +PJ104737 NKFWWW C52H59N11O8 965.4548 NA PeJP NA NA +PJ104738 GGKFWWW C52H59N11O8 965.4549 NA PeJP NA NA +PJ104739 ATTTTTLEE C39H67N9O19 965.4553 NA PeJP NA NA +PJ104740 SSSTTLLEE C39H67N9O19 965.4554 NA PeJP NA NA +PJ104741 SVLKEEMM C40H71N9O14S2 965.4562 NA PeJP NA NA +PJ104742 SSSSKERW C40H63N13O15 965.4567 NA PeJP NA NA +MJ098857 Somamide A C48H67N7O12S 965.456841 NA MeJP NA NA +PJ104743 TLLMYYY C48H67N7O12S 965.4569 NA PeJP NA NA +PJ104744 PVVKMMMM C41H75N9O9S4 965.4571 NA PeJP NA NA +PJ104745 SQKMMRW C41H67N13O10S2 965.4576 NA PeJP NA NA +PJ104746 NQQHHFR C41H59N17O11 965.458 NA PeJP NA NA +PJ104747 GGGAQHHFR C41H59N17O11 965.4581 NA PeJP NA NA +PJ104748 PPLMHWW C49H63N11O8S 965.4582 NA PeJP NA NA +PJ104749 SSTQKEMR C37H67N13O15S 965.4601 NA PeJP NA NA +PJ104750 GSTTTKWW C45H63N11O13 965.4607 NA PeJP NA NA +PJ104751 LEMMMRR C38H71N13O10S3 965.4609 NA PeJP NA NA +PJ104752 GGGVKMMMR C38H71N13O10S3 965.461 NA PeJP NA NA +PJ104753 CNDFRRR C38H63N17O11S 965.4614 NA PeJP NA NA +PJ104754 GKKMMWW C46H67N11O8S2 965.4616 NA PeJP NA NA +PJ104755 GPQHRWW C46H59N15O9 965.4621 NA PeJP NA NA +PJ104756 GSTKKEMW C42H67N11O13S 965.4641 NA PeJP NA NA +PJ104757 GLLEYWW C50H63N9O11 965.4647 NA PeJP NA NA +PJ104758 GAPLEFFW C50H63N9O11 965.4648 NA PeJP NA NA +PJ104759 VLMMMRW C43H71N11O8S3 965.465 NA PeJP NA NA +PJ104760 GNMFRRW C43H63N15O9S 965.4654 NA PeJP NA NA +PJ104761 GSSTTKKEE C38H67N11O18 965.4666 NA PeJP NA NA +PJ104762 SSLLEMMR C39H71N11O13S2 965.4675 NA PeJP NA NA +PJ104763 SSSSTRRW C39H63N15O14 965.4679 NA PeJP NA NA +PJ104764 GGGGGGASKRY C39H63N15O14 965.468 NA PeJP NA NA +MJ098858 Cycloleonuripeptide A; S-Oxide (1) C47H67N9O11S 965.468074 NA MeJP NA NA +MJ098859 Cycloleonuripeptide A; S-Oxide(2) C47H67N9O11S 965.468074 NA MeJP NA NA +PJ104765 PLKEMYW C47H67N9O11S 965.4681 NA PeJP NA NA +PJ104766 SCKMRRW C40H67N15O9S2 965.4688 NA PeJP NA NA +PJ104767 DKHHHHR C40H59N19O10 965.4693 NA PeJP NA NA +PJ104768 GVLKEEEY C43H67N9O16 965.4706 NA PeJP NA NA +7757 antioxidant from grass carp muscle PSKYEPFV 965.471 antioxidative Inhouse_peptide NA peptide +8126 peptide derived from grass carp muscle (Ctenopharyngodon idellus) PSKYEPFV 965.471 anticancer Inhouse_peptide NA peptide +PJ104769 SSSDKMRR C36H67N15O14S 965.4713 NA PeJP NA NA +PJ104770 ATTLLMMW C44H71N9O11S2 965.4715 NA PeJP NA NA +PJ104771 ANKERYW C44H63N13O12 965.4719 NA PeJP NA NA +PJ104772 GQKERYW C44H63N13O12 965.472 NA PeJP NA NA +PJ104773 VLMFFFY C52H67N7O9S 965.4721 NA PeJP NA NA +PJ104774 NKMMMRR C37H71N15O9S3 965.4722 NA PeJP NA NA +PJ104775 PPHHHRW C45H59N17O8 965.4733 NA PeJP NA NA +PJ104776 SSSSLLLEM C40H71N9O16S 965.474 NA PeJP NA NA +PJ104777 ALLKEMMM C41H75N9O11S3 965.4749 NA PeJP NA NA +PJ104778 GSTTKMRW C41H67N13O12S 965.4753 NA PeJP NA NA +PJ104779 GGGGGGAKKMF C41H67N13O12S 965.4754 NA PeJP NA NA +PJ104780 GVQKYWW C49H63N11O10 965.476 NA PeJP NA NA +PJ104781 GSSTTTKER C37H67N13O17 965.4778 NA PeJP NA NA +PJ104782 GSKKEMMR C38H71N13O12S2 965.4787 NA PeJP NA NA +PJ104783 SNDRRRY C38H63N17O13 965.4792 NA PeJP NA NA +PJ104784 STKKMWW C46H67N11O10S 965.4793 NA PeJP NA NA +PJ104785 GGPKKMYW C46H67N11O10S 965.4794 NA PeJP NA NA +PJ104786 LLYWWW C54H63N9O8 965.48 NA PeJP NA NA +PJ104787 SHHHHRR C39H59N21O9 965.4805 NA PeJP NA NA +PJ104788 SSTTKKEW C42H67N11O15 965.4818 NA PeJP NA NA +PJ104789 GSLLEERY C42H67N11O15 965.4819 NA PeJP NA NA +PJ104790 SSSSMRRR C35H67N17O13S 965.4825 NA PeJP NA NA +PJ104791 DKKKMMW C43H71N11O10S2 965.4827 NA PeJP NA NA +PJ104792 GTQRRYW C43H63N15O11 965.4832 NA PeJP NA NA +PJ104793 ALLMFWW C51H67N9O8S 965.4834 NA PeJP NA NA +PJ104794 SSKKKEEM C39H71N11O15S 965.4852 NA PeJP NA NA +PJ104795 VLKEEYW C47H67N9O13 965.4859 NA PeJP NA NA +PJ104796 ATLLMMMR C40H75N11O10S3 965.4861 NA PeJP NA NA +PJ104797 VNQMRRY C40H67N15O11S 965.4866 NA PeJP NA NA +PJ104798 QKRYWW C48H63N13O9 965.4872 NA PeJP NA NA +PJ104799 SSSSSSLRR C36H67N15O16 965.489 NA PeJP NA NA +PJ104800 GSSTTTTRR C36H67N15O16 965.4891 NA PeJP NA NA +PJ104801 TTTTLLMW C44H71N9O13S 965.4892 NA PeJP NA NA +PJ104802 GGALLLEMY C44H71N9O13S 965.4893 NA PeJP NA NA +PJ104803 VVLFYYY C52H67N7O11 965.4899 NA PeJP NA NA +PJ104804 NQQQHRR C37H63N19O12 965.4904 NA PeJP NA NA +PJ104805 AQKMFRW C45H67N13O9S 965.4906 NA PeJP NA NA +PJ104806 STTTTTLLE C40H71N9O18 965.4917 NA PeJP NA NA +PJ104807 TTLLKEMM C41H75N9O13S2 965.4926 NA PeJP NA NA +PJ104808 SSTTTKRW C41H67N13O14 965.4931 NA PeJP NA NA +PJ104809 SKKMMRW C42H71N13O9S2 965.4939 NA PeJP NA NA +PJ104810 PLMMRRY C42H71N13O9S2 965.494 NA PeJP NA NA +PJ104811 SPQHRRW C42H63N17O10 965.4944 NA PeJP NA NA +PJ104812 SSTKKEMR C38H71N13O14S 965.4964 NA PeJP NA NA +PJ104813 STTDKKMR C38H71N13O14S 965.4965 NA PeJP NA NA +PJ104814 SLLERYW C46H67N11O12 965.4971 NA PeJP NA NA +PJ104815 AAKKMMMR C39H75N13O9S3 965.4973 NA PeJP NA NA +PJ104816 GQMRRRY C39H67N17O10S 965.4978 NA PeJP NA NA +PJ104817 GPKHRWW C47H63N15O8 965.4985 NA PeJP NA NA +PJ104818 SSSLKKMW C43H71N11O12S 965.5005 NA PeJP NA NA +PJ104819 SVLLYWW C51H67N9O10 965.5011 NA PeJP NA NA +PJ104820 NNNHRRR C36H63N21O11 965.5016 NA PeJP NA NA +PJ104821 GGGGNHRRR C36H63N21O11 965.5017 NA PeJP NA NA +PJ104822 ACKFRRW C44H67N15O8S 965.5018 NA PeJP NA NA +PJ104823 SSSSTLKKE C39H71N11O17 965.503 NA PeJP NA NA +PJ104824 TTTLLMMR C40H75N11O12S2 965.5038 NA PeJP NA NA +PJ104825 ATKKKEMM C40H75N11O12S2 965.5039 NA PeJP NA NA +PJ104826 SQKERRY C40H67N15O13 965.5043 NA PeJP NA NA +PJ104827 GGGGGGAAPPLR C40H67N15O13 965.5044 NA PeJP NA NA +PJ104828 LLLQMYW C48H71N9O10S 965.5045 NA PeJP NA NA +PJ104829 VLFFFFF C56H67N7O8 965.5052 NA PeJP NA NA +PJ104830 ATLLKEEY C44H71N9O15 965.507 NA PeJP NA NA +PJ104831 SSTTKMRR C37H71N15O13S 965.5077 NA PeJP NA NA +2895 neuropeptide from eyestalk of Macrobrachium rosenb DRNFLRF~ 965.5078 antibacterial Inhouse_peptide NA peptide +PJ104832 APLLKMMY C45H75N9O10S2 965.5079 NA PeJP NA NA +PJ104833 GKKERYW C45H67N13O11 965.5083 NA PeJP NA NA +PJ104834 GPPPKERW C45H67N13O11 965.5084 NA PeJP NA NA +PJ104835 GCRRRRY C38H67N19O9S 965.509 NA PeJP NA NA +PJ104836 SSTTTLLLM C41H75N9O15S 965.5104 NA PeJP NA NA +PJ104837 SLLLKMMM C42H79N9O10S3 965.5112 NA PeJP NA NA +PJ104838 VLEMRRY C42H71N13O11S 965.5117 NA PeJP NA NA +PJ104839 GVKKYWW C50H67N11O9 965.5124 NA PeJP NA NA +PJ104840 SSSSTTLKR C38H71N13O16 965.5142 NA PeJP NA NA +PJ104841 ATTKKMMR C39H75N13O11S2 965.5151 NA PeJP NA NA +PJ104842 STQRRRY C39H67N17O12 965.5155 NA PeJP NA NA +PJ104843 GGTTRRRY C39H67N17O12 965.5156 NA PeJP NA NA +PJ104844 VVLMRYW C47H71N11O9S 965.5157 NA PeJP NA NA +PJ104845 TTTTTKKW C43H71N11O14 965.5182 NA PeJP NA NA +PJ104846 GGVLLLEEH C43H71N11O14 965.5183 NA PeJP NA NA +PJ104847 GVLLMMFR C44H75N11O9S2 965.5191 NA PeJP NA NA +PJ104848 GTKRRYW C44H67N15O10 965.5196 NA PeJP NA NA +PJ104849 TTTKKKEM C40H75N11O14S 965.5216 NA PeJP NA NA +PJ104850 GTTLLLYW C48H71N9O12 965.5223 NA PeJP NA NA +PJ104851 GLKKKMMM C41H79N11O9S3 965.5225 NA PeJP NA NA +PJ104852 VNKMRRY C41H71N15O10S 965.5229 NA PeJP NA NA +PJ104853 GGVKMRRY C41H71N15O10S 965.523 NA PeJP NA NA +PJ104854 KKRYWW C49H67N13O8 965.5236 NA PeJP NA NA +PJ104855 GLLLKEMY C45H75N9O12S 965.5256 NA PeJP NA NA +PJ104856 VNEHRRR C38H67N19O11 965.5268 NA PeJP NA NA +PJ104857 AKKMFRW C46H71N13O8S 965.527 NA PeJP NA NA +PJ104858 DKKKERY C42H71N13O13 965.5295 NA PeJP NA NA +PJ104859 LLMMFRR C43H75N13O8S2 965.5303 NA PeJP NA NA +PJ104860 SPKHRRW C43H67N17O9 965.5308 NA PeJP NA NA +PJ104861 TTTTKKMR C39H75N13O13S 965.5328 NA PeJP NA NA +PJ104862 VDKKKYW C47H71N11O11 965.5335 NA PeJP NA NA +PJ104863 GKMRRRY C40H71N17O9S 965.5342 NA PeJP NA NA +PJ104864 GTLLLMRY C44H75N11O11S 965.5369 NA PeJP NA NA +PJ104865 PLLKFYW C52H71N9O9 965.5375 NA PeJP NA NA +PJ104866 GEHRRRR C37H67N21O10 965.538 NA PeJP NA NA +PJ104867 SSTTTTLKK C40H75N11O16 965.5393 NA PeJP NA NA +PJ104868 STLKKKMM C41H79N11O11S2 965.5402 NA PeJP NA NA +PJ104869 SKKERRY C41H71N15O12 965.5407 NA PeJP NA NA +PJ104870 LLLKMYW C49H75N9O9S 965.5409 NA PeJP NA NA +PJ104871 GVHRRRW C42H67N19O8 965.5421 NA PeJP NA NA +PJ104872 STLLLKEY C45H75N9O14 965.5434 NA PeJP NA NA +PJ104873 ALLLKMMF C46H79N9O9S2 965.5443 NA PeJP NA NA +PJ104874 SVKKRYW C46H71N13O10 965.5447 NA PeJP NA NA +PJ104875 LQKKMRY C43H75N13O10S 965.5481 NA PeJP NA NA +PJ104876 VLLLHWW C51H71N11O8 965.5488 NA PeJP NA NA +PJ104877 SSSSSKKKK C39H75N13O15 965.5506 NA PeJP NA NA +PJ104878 TCCKKKKK C40H79N13O10S2 965.5515 NA PeJP NA NA +PJ104879 STKRRRY C40H71N17O11 965.5519 NA PeJP NA NA +PJ104880 GPPVERRR C40H71N17O11 965.552 NA PeJP NA NA +PJ104881 VKKKMFW C48H75N11O8S 965.5521 NA PeJP NA NA +PJ104882 HRRRRW C41H67N21O7 965.5533 NA PeJP NA NA +PJ104883 STTLLLRY C44H75N11O13 965.5546 NA PeJP NA NA +PJ104884 AAPPLRRW C45H71N15O9 965.556 NA PeJP NA NA +PJ104885 GPLLLKYY C49H75N9O11 965.5586 NA PeJP NA NA +PJ104886 PPVLLLEW C49H75N9O11 965.5587 NA PeJP NA NA +PJ104887 CLKKRRY C42H75N15O9S 965.5593 NA PeJP NA NA +PJ104888 SVLLLKMY C46H79N9O11S 965.562 NA PeJP NA NA +PJ104889 PPERRRR C39H71N19O10 965.5632 NA PeJP NA NA +PJ104890 GTTLKKRY C43H75N13O12 965.5659 NA PeJP NA NA +PJ104891 PPVRRRW C44H71N17O8 965.5672 NA PeJP NA NA +PJ104892 TLKKKYW C48H75N11O10 965.5699 NA PeJP NA NA +PJ104893 GVLKKKMY C45H79N11O10S 965.5733 NA PeJP NA NA +PJ104894 LLLKFFW C53H75N9O8 965.5739 NA PeJP NA NA +PJ104895 SVHRRRR C38H71N21O9 965.5744 NA PeJP NA NA +PJ104896 APPLKERR C42H75N15O11 965.5771 NA PeJP NA NA +PJ104897 APPTLLLLE C46H79N9O13 965.5798 NA PeJP NA NA +PJ104898 GPPLLKRW C47H75N13O9 965.5811 NA PeJP NA NA +PJ104899 LKKKMRY C44H79N13O9S 965.5845 NA PeJP NA NA +PJ104900 APPTLRRR C41H75N17O10 965.5883 NA PeJP NA NA +PJ104901 SSLLKKKY C45H79N11O12 965.591 NA PeJP NA NA +PJ104902 VLKKHRW C46H75N15O8 965.5923 NA PeJP NA NA +PJ104903 GLLLLKFY C50H79N9O10 965.595 NA PeJP NA NA +PJ104904 GPPLLLLLM C47H83N9O10S 965.5984 NA PeJP NA NA +PJ104905 TLKHRRR C40H75N19O9 965.5996 NA PeJP NA NA +PJ104906 GSKKKKKY C44H79N13O11 965.6022 NA PeJP NA NA +PJ104907 PPVLKKER C44H79N13O11 965.6023 NA PeJP NA NA +PJ104908 PPVVLKKW C49H79N11O9 965.6063 NA PeJP NA NA +PJ104909 VLLLLKMH C46H83N11O9S 965.6096 NA PeJP NA NA +PJ104910 SPPLLKRR C43H79N15O10 965.6135 NA PeJP NA NA +PJ104911 GPVLLLLLE C47H83N9O12 965.6162 NA PeJP NA NA +PJ104912 LKKKFFR C48H79N13O8 965.6175 NA PeJP NA NA +PJ104913 GPVLLRRR C42H79N17O9 965.6247 NA PeJP NA NA +PJ104914 PLLLLLER C46H83N11O11 965.6274 NA PeJP NA NA +PJ104915 PVLLLLLW C51H83N9O9 965.6314 NA PeJP NA NA +PJ104916 PLLRRRR C41H79N19O8 965.636 NA PeJP NA NA +PJ104917 PVLLLQKR C45H83N13O10 965.6386 NA PeJP NA NA +PJ104918 APLLLKRR C44H83N15O9 965.6499 NA PeJP NA NA +PJ104919 APTLLLLLL C48H87N9O11 965.6525 NA PeJP NA NA +PJ104920 PVVVTLLLL C48H87N9O11 965.6526 NA PeJP NA NA +PJ104921 AAPLLLLKK C47H87N11O10 965.6638 NA PeJP NA NA +PJ104922 PVLLLKKR C46H87N13O9 965.675 NA PeJP NA NA +PJ104923 GVLLLLLLL C49H91N9O10 965.6889 NA PeJP NA NA +PJ104924 LLLLLLLR C48H91N11O9 965.7002 NA PeJP NA NA +7423 coeliac toxic peptide PQPFRPQQPYPQPQPQ 965.972 MH2+ Inhouse_peptide NA peptide +MJ098860 Rhoipteleanin H C42H30O27 966.097445 NA MeJP NA NA +MJ098861 Thalistine; O5-Me ether, N2,N2'-di-Me, diiodide C42H52I2N2O8 966.181303 NA MeJP NA NA +PJ104925 SCCCCCCNE C30H50N10O14S6 966.1833 NA PeJP NA NA +PJ104926 GSCCCCCCW C34H50N10O11S6 966.1985 NA PeJP NA NA +PJ104927 GSSSCCCCCD C30H50N10O16S5 966.201 NA PeJP NA NA +PJ104928 GCCCCCNMM C31H54N10O11S7 966.2019 NA PeJP NA NA +PJ104929 ACCCCCCCR C30H54N12O10S7 966.2131 NA PeJP NA NA +PJ104930 GCCCCCNDF C34H50N10O13S5 966.2163 NA PeJP NA NA +PJ104931 SSCCCCCQM C31H54N10O13S6 966.2196 NA PeJP NA NA +PJ104932 GGSTCCCCCM C31H54N10O13S6 966.2197 NA PeJP NA NA +MJ098862 Pradimicin L; 17-Hydroxy, 3B-O-sulfate C41H46N2O23S 966.221206 NA MeJP NA NA +PJ104933 CCCDDDMY C35H50N8O16S4 966.2228 NA PeJP NA NA +PJ104934 CCCDMMMM C33H58N8O11S7 966.227 NA PeJP NA NA +PJ104935 SSCCCCCCR C30H54N12O12S6 966.2309 NA PeJP NA NA +PJ104936 GSCCCCNDY C34H50N10O15S4 966.234 NA PeJP NA NA +PJ104937 GSSSSCCCCM C31H54N10O15S5 966.2374 NA PeJP NA NA +PJ104938 ACCCCCCKM C32H58N10O10S7 966.2383 NA PeJP NA NA +PJ104939 CCCDDMMF C36H54N8O13S5 966.2414 NA PeJP NA NA +PJ104940 CCCCMMHH C34H54N12O9S6 966.2461 NA PeJP NA NA +PJ104941 CCDDDEMH C34H50N10O17S3 966.2518 NA PeJP NA NA +PJ104942 CCCCNQMY C35H54N10O12S5 966.2527 NA PeJP NA NA +PJ104943 SSSSSTCCCC C31H54N10O17S4 966.2552 NA PeJP NA NA +PJ104944 CCCDDDFF C39H50N8O15S3 966.2558 NA PeJP NA NA +PJ104945 SSCCCCCKM C32H58N10O12S6 966.256 NA PeJP NA NA +PJ104946 GCCCCNNNH C32H50N14O13S4 966.2565 NA PeJP NA NA +PJ104947 DDDDDDEE C34H46N8O25 966.2575 NA PeJP NA NA +MJ098863 Stenopalustroside E C50H46O20 966.258243 NA MeJP NA NA +PJ104948 SCCDDMMY C36H54N8O15S4 966.2592 NA PeJP NA NA +PJ104949 CCCCDHHF C37H50N12O11S4 966.2605 NA PeJP NA NA +PJ104950 GSCCCNDEH C33H50N12O16S3 966.263 NA PeJP NA NA +PJ104951 SCCMMMMM C34H62N8O10S7 966.2634 NA PeJP NA NA +PJ104952 CCCCCNRY C34H54N12O11S5 966.2639 NA PeJP NA NA +PJ104953 GSNDDDDDD C33H46N10O24 966.2687 NA PeJP NA NA +PJ104954 GPCCNDDDE C34H50N10O19S2 966.2696 NA PeJP NA NA +PJ104955 GSSCCCNMY C35H54N10O14S4 966.2704 NA PeJP NA NA +PJ104956 GCCDDEYY C39H50N8O17S2 966.2736 NA PeJP NA NA +PJ104957 PCCCCEFY C40H54N8O12S4 966.2744 NA PeJP NA NA +PJ104958 GCCEMMMY C37H58N8O12S5 966.2778 NA PeJP NA NA +PJ104959 SCCCNDHW C37H50N12O13S3 966.2783 NA PeJP NA NA +MJ098864 Sucrose; 1'-O-(4-Hydroxy-E-cinnamoyl), 3',6'-bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 2,4,6-tri-Ac C47H50O22 966.279373 NA MeJP NA NA +PJ104960 SSSCCNDDH C33H50N12O18S2 966.2808 NA PeJP NA NA +PJ104961 CCCNQEMH C34H54N12O13S4 966.2816 NA PeJP NA NA +PJ104962 CCNNDMMH C34H54N12O13S4 966.2817 NA PeJP NA NA +PJ104963 PCCNDDDW C38H50N10O16S2 966.2848 NA PeJP NA NA +MJ098865 Neapolitanose; ?-Pyranose-form, Undeca-Ac C40H54O27 966.285246 NA MeJP NA NA +PJ104964 CCCCNQFF C39H54N10O11S4 966.2857 NA PeJP NA NA +PJ104965 NNDDDDEM C34H50N10O21S 966.2873 NA PeJP NA NA +PJ104966 SSSSCCCQY C35H54N10O16S3 966.2882 NA PeJP NA NA +PJ104967 CCDDYYW C43H50N8O14S2 966.2888 NA PeJP NA NA +PJ104968 CCCCNKMY C36H58N10O11S5 966.289 NA PeJP NA NA +PJ104969 GGCCCCKMY C36H58N10O11S5 966.2891 NA PeJP NA NA +PJ104970 SSCDDDYY C39H50N8O19S 966.2913 NA PeJP NA NA +PJ104971 GCCNNNNND C32H50N14O17S2 966.292 NA PeJP NA NA +PJ104972 GGGGGGGGGGGCCD C32H50N14O17S2 966.2921 NA PeJP NA NA +PJ104973 SPCCCEYY C40H54N8O14S3 966.2922 NA PeJP NA NA +PJ104974 CCCCNEHR C33H54N14O12S4 966.2929 NA PeJP NA NA +PJ104975 CCMMMYW C41H58N8O9S5 966.2931 NA PeJP NA NA +PJ104976 SDDDEEEE C35H50N8O24 966.2938 NA PeJP NA NA +PJ104977 PDDDDEMM C36H54N8O19S2 966.2947 NA PeJP NA NA +PJ104978 SSCDMMMY C37H58N8O14S4 966.2956 NA PeJP NA NA +PJ104979 CCNNDDHF C37H50N12O15S2 966.296 NA PeJP NA NA +PJ104980 GGCCNDDHF C37H50N12O15S2 966.2961 NA PeJP NA NA +PJ104981 ACCMMMMF C38H62N8O9S6 966.2964 NA PeJP NA NA +PJ104982 GCCCQMHW C38H54N12O10S4 966.2969 NA PeJP NA NA +PJ104983 GSCNNNDDE C33H50N12O20S 966.2985 NA PeJP NA NA +PJ104984 CNDDDDDR C33H50N12O20S 966.2986 NA PeJP NA NA +PJ104985 GSSCCNEMH C34H54N12O15S3 966.2994 NA PeJP NA NA +PJ104986 APCCCCCKH C35H58N12O10S5 966.3003 NA PeJP NA NA +PJ104987 CCCNNHHH C35H50N16O11S3 966.3008 NA PeJP NA NA +PJ104988 GNDDDDMW C38H50N10O18S 966.3026 NA PeJP NA NA +PJ104989 GSPPCCCDW C39H54N10O13S3 966.3034 NA PeJP NA NA +PJ104990 GSSNDDDEE C34H50N10O23 966.3051 NA PeJP NA NA +PJ104991 GSSSSSSCCY C35H54N10O18S2 966.3059 NA PeJP NA NA +PJ104992 GGGSPCDDEM C35H54N10O18S2 966.306 NA PeJP NA NA +PJ104993 GSTCCCCKY C36H58N10O13S4 966.3068 NA PeJP NA NA +PJ104994 SCCDEHHH C36H50N14O14S2 966.3073 NA PeJP NA NA +PJ104995 CCDMFYW C44H54N8O11S3 966.3074 NA PeJP NA NA +PJ104996 GCCCCHRW C37H54N14O9S4 966.3082 NA PeJP NA NA +PJ104997 PDDDDDEF C39H50N8O21 966.3091 NA PeJP NA NA +PJ104998 GSCDEMYY C40H54N8O16S2 966.31 NA PeJP NA NA +PJ104999 GSSCCCDHR C33H54N14O14S3 966.3107 NA PeJP NA NA +PJ105000 GPCCMMYY C41H58N8O11S4 966.3108 NA PeJP NA NA +PJ105001 GDEEEEEM C36H54N8O21S 966.3125 NA PeJP NA NA +PJ105002 SCNNNDDW C37H50N12O17S 966.3138 NA PeJP NA NA +PJ105003 GTCMMMMY C38H62N8O11S5 966.3142 NA PeJP NA NA +PJ105004 SSCCNMHW C38H54N12O12S3 966.3147 NA PeJP NA NA +PJ105005 SSSNNNDDD C33H50N12O22 966.3163 NA PeJP NA NA +PJ105006 GSPCCDDDR C34H54N12O17S2 966.3172 NA PeJP NA NA +PJ105007 CNDDEWW C42H50N10O15S 966.3178 NA PeJP NA NA +PJ105008 APPCCCCDR C35H58N12O12S4 966.318 NA PeJP NA NA +PJ105009 GPPCCCCER C35H58N12O12S4 966.3181 NA PeJP NA NA +PJ105010 SSNDDDEW C38H50N10O20 966.3203 NA PeJP NA NA +PJ105011 SPCNDDMW C39H54N10O15S2 966.3212 NA PeJP NA NA +PJ105012 CEMMMHW C40H58N10O10S4 966.3221 NA PeJP NA NA +PJ105013 SNNDEEEM C35H54N10O20S 966.3237 NA PeJP NA NA +PJ105014 NDDDYYY C43H50N8O18 966.3243 NA PeJP NA NA +PJ105015 SSSSCCCKY C36H58N10O15S3 966.3246 NA PeJP NA NA +PJ105016 SCDMYYW C44H54N8O13S2 966.3252 NA PeJP NA NA +PJ105017 SPCMMMMH C37H62N10O10S5 966.3254 NA PeJP NA NA +PJ105018 GCDMMHHH C37H54N14O11S3 966.3259 NA PeJP NA NA +PJ105019 CCMMFFW C45H58N8O8S4 966.3261 NA PeJP NA NA +PJ105020 DEEEEMW C40H54N8O18S 966.3277 NA PeJP NA NA +PJ105021 CCNNNDER C33H54N14O16S2 966.3284 NA PeJP NA NA +PJ105022 NDMMMYY C41H58N8O13S3 966.3286 NA PeJP NA NA +PJ105023 SCCCQMHR C34H58N14O11S4 966.3293 NA PeJP NA NA +PJ105024 ACCCHHFF C42H54N12O9S3 966.3299 NA PeJP NA NA +PJ105025 SSEEEEEE C36H54N8O23 966.3302 NA PeJP NA NA +PJ105026 SPDEEEMM C37H58N8O18S2 966.3311 NA PeJP NA NA +PJ105027 NNNNDDDF C37H50N12O19 966.3316 NA PeJP NA NA +PJ105028 SSSMMMMY C38H62N8O13S4 966.3319 NA PeJP NA NA +PJ105029 PPDDMMMM C38H62N8O13S4 966.332 NA PeJP NA NA +PJ105030 GSSSTCCHW C38H54N12O14S2 966.3324 NA PeJP NA NA +PJ105031 GGGGGGGCEMW C38H54N12O14S2 966.3325 NA PeJP NA NA +PJ105032 GCDDWWW C46H50N10O12S 966.3331 NA PeJP NA NA +PJ105033 PPCCCCRW C39H58N12O9S4 966.3333 NA PeJP NA NA +PJ105034 SNDDDDMR C34H54N12O19S 966.3349 NA PeJP NA NA +PJ105035 GGGGGGGSSDEM C34H54N12O19S 966.335 NA PeJP NA NA +PJ105036 GSSDDDWW C42H50N10O17 966.3356 NA PeJP NA NA +PJ105037 PCCNDEMR C35H58N12O14S3 966.3358 NA PeJP NA NA +PJ105038 CNNNNDHH C35H50N16O15S 966.3363 NA PeJP NA NA +PJ105039 ASPCCDWW C43H54N10O12S2 966.3364 NA PeJP NA NA +PJ105040 GSPCCEWW C43H54N10O12S2 966.3365 NA PeJP NA NA +PJ105041 SVCNDDEW C39H54N10O17S 966.3389 NA PeJP NA NA +PJ105042 GSNDEEMW C39H54N10O17S 966.339 NA PeJP NA NA +PJ105043 GPCNEMMW C40H58N10O12S3 966.3398 NA PeJP NA NA +PJ105044 GCDDHHHF C40H50N14O13S 966.3403 NA PeJP NA NA +PJ105045 CCDFFFW C48H54N8O10S2 966.3405 NA PeJP NA NA +PJ105046 ASSSNDEEE C35H54N10O22 966.3414 NA PeJP NA NA +PJ105047 GSSSNEEEE C35H54N10O22 966.3415 NA PeJP NA NA +PJ105048 GNQEEEMM C36H58N10O17S2 966.3423 NA PeJP NA NA +PJ105049 SNNDDEHH C36H50N14O18 966.3428 NA PeJP NA NA +PJ105050 GSPCDYYY C44H54N8O15S 966.343 NA PeJP NA NA +PJ105051 GTEMMMMH C37H62N10O12S4 966.3432 NA PeJP NA NA +PJ105052 GCCNNDRW C37H54N14O13S2 966.3437 NA PeJP NA NA +PJ105053 ACMMYYW C45H58N8O10S3 966.3438 NA PeJP NA NA +PJ105054 GCCHHHHH C38H50N18O9S2 966.345 NA PeJP NA NA +PJ105055 GPDEEEEY C40H54N8O20 966.3455 NA PeJP NA NA +PJ105056 SSSCNNNNQ C33H54N14O18S 966.3461 NA PeJP NA NA +PJ105057 GSSCNNDDR C33H54N14O18S 966.3462 NA PeJP NA NA +PJ105058 GSSEMMYY C41H58N8O15S2 966.3463 NA PeJP NA NA +PJ105059 PPDDDMMF C41H58N8O15S2 966.3464 NA PeJP NA NA +PJ105060 DDEEHHW C41H50N12O16 966.3468 NA PeJP NA NA +PJ105061 PCCCDDRR C34H58N14O13S3 966.347 NA PeJP NA NA +PJ105062 GGGGGPTCCCR C34H58N14O13S3 966.3471 NA PeJP NA NA +PJ105063 NMMMMFY C42H62N8O10S4 966.3472 NA PeJP NA NA +PJ105064 CNNNMWW C42H54N12O11S2 966.3477 NA PeJP NA NA +PJ105065 ATEEEEEM C37H58N8O20S 966.3488 NA PeJP NA NA +PJ105066 SVDEEEEM C37H58N8O20S 966.3489 NA PeJP NA NA +PJ105067 APEEEMMM C38H62N8O15S3 966.3497 NA PeJP NA NA +PJ105068 GSCDDERW C38H54N12O16S 966.3502 NA PeJP NA NA +PJ105069 GPCCDMRW C39H58N12O11S3 966.3511 NA PeJP NA NA +PJ105070 SPCCWWW C47H54N10O9S2 966.3517 NA PeJP NA NA +PJ105071 GSSSDDDER C34H54N12O21 966.3527 NA PeJP NA NA +PJ105072 SSSSSNMMH C35H58N12O16S2 966.3535 NA PeJP NA NA +PJ105073 GNDDEMMR C35H58N12O16S2 966.3536 NA PeJP NA NA +PJ105074 SNDEMWW C43H54N10O14S 966.3542 NA PeJP NA NA +PJ105075 GPPTCCCMR C36H62N12O11S4 966.3544 NA PeJP NA NA +PJ105076 PCNMMWW C44H58N10O9S3 966.3551 NA PeJP NA NA +PJ105077 SSSNEEEW C39H54N10O19 966.3567 NA PeJP NA NA +PJ105078 NQEEMMW C40H58N10O14S2 966.3576 NA PeJP NA NA +PJ105079 GSNDDHHW C40H50N14O15 966.3581 NA PeJP NA NA +PJ105080 GCEFYYW C48H54N8O12S 966.3582 NA PeJP NA NA +PJ105081 TMMMMHW C41H62N10O9S4 966.3584 NA PeJP NA NA +PJ105082 PPCCCKMW C41H62N10O9S4 966.3585 NA PeJP NA NA +PJ105083 GPCCQHHW C41H54N14O10S2 966.3589 NA PeJP NA NA +PJ105084 SSQQEEEM C36H58N10O19S 966.3601 NA PeJP NA NA +PJ105085 PDEEEYW C44H54N8O17 966.3607 NA PeJP NA NA +PJ105086 STTEMMMH C37H62N10O14S3 966.3609 NA PeJP NA NA +PJ105087 GGGGPTEMMM C37H62N10O14S3 966.361 NA PeJP NA NA +PJ105088 CNNNNNQF C37H54N14O15S 966.3614 NA PeJP NA NA +PJ105089 GGGGGGGGGGCQF C37H54N14O15S 966.3615 NA PeJP NA NA +PJ105090 SSMMYYW C45H58N8O12S2 966.3616 NA PeJP NA NA +PJ105091 GVMMMMMH C38H66N10O9S5 966.3618 NA PeJP NA NA +PJ105092 GCCNMHFR C38H58N14O10S3 966.3623 NA PeJP NA NA +PJ105093 GSSSSSNNNN C33H54N14O20 966.3639 NA PeJP NA NA +PJ105094 SSSTEMYY C41H58N8O17S 966.3641 NA PeJP NA NA +PJ105095 GCDDDMRR C34H58N14O15S2 966.3648 NA PeJP NA NA +PJ105096 TQMMMYY C42H62N8O12S3 966.365 NA PeJP NA NA +PJ105097 SCDDRWW C42H54N12O13S 966.3654 NA PeJP NA NA +PJ105098 GGGGGSTCWW C42H54N12O13S 966.3655 NA PeJP NA NA +PJ105099 SCCCKMHR C35H62N14O10S4 966.3657 NA PeJP NA NA +PJ105100 TTTEEEEE C37H58N8O22 966.3666 NA PeJP NA NA +MJ098866 Thielocin B1 C53H58O17 966.3674 NA MeJP NA NA +MJ098867 Thielocin B2 C53H58O17 966.3674 NA MeJP NA NA +PJ105101 GLEEEEMM C38H62N8O17S2 966.3675 NA PeJP NA NA +PJ105102 SSSDDDRW C38H54N12O18 966.3679 NA PeJP NA NA +PJ105103 GGGGGSSSSEW C38H54N12O18 966.368 NA PeJP NA NA +PJ105104 PPTEMMMM C39H66N8O12S4 966.3683 NA PeJP NA NA +PJ105105 NDDMMRW C39H58N12O13S2 966.3688 NA PeJP NA NA +PJ105106 GSDMWWW C47H54N10O11S 966.3695 NA PeJP NA NA +PJ105107 PPCCHHHH C40H54N16O9S2 966.3702 NA PeJP NA NA +PJ105108 SSNDEEMR C35H58N12O18S 966.3713 NA PeJP NA NA +PJ105109 GSSNNYYY C43H54N10O16 966.3719 NA PeJP NA NA +PJ105110 GSSSEEWW C43H54N10O16 966.372 NA PeJP NA NA +PJ105111 SPCNEMMR C36H62N12O13S3 966.3722 NA PeJP NA NA +PJ105112 SNNNNMHH C36H54N16O14S 966.3726 NA PeJP NA NA +PJ105113 GCNDEHHR C36H54N16O14S 966.3727 NA PeJP NA NA +PJ105114 GQEMMWW C44H58N10O11S2 966.3728 NA PeJP NA NA +PJ105115 MMMMMHR C37H66N12O8S5 966.3731 NA PeJP NA NA +PJ105116 CFYYWW C52H54N8O9S 966.3735 NA PeJP NA NA +PJ105117 GSTQEEMW C40H58N10O16S 966.3753 NA PeJP NA NA +PJ105118 GGGGAPEEMY C40H58N10O16S 966.3754 NA PeJP NA NA +PJ105119 GSEYYYW C48H54N8O14 966.376 NA PeJP NA NA +PJ105120 GSPQMMMW C41H62N10O11S3 966.3762 NA PeJP NA NA +PJ105121 NNEMHHW C41H54N14O12S 966.3767 NA PeJP NA NA +PJ105122 ACMFFYW C49H58N8O9S2 966.3768 NA PeJP NA NA +PJ105123 GPCCFFFF C49H58N8O9S2 966.3769 NA PeJP NA NA +MJ098868 Micropeptin T20 C46H59N6O15P 966.377601 NA MeJP NA NA +PJ105124 GSSSDKEEE C36H58N10O21 966.3778 NA PeJP NA NA +PJ105125 GNKEEEMM C37H62N10O16S2 966.3787 NA PeJP NA NA +PJ105126 GNNNDDRY C37H54N14O17 966.3792 NA PeJP NA NA +PJ105127 AQEMYYY C45H58N8O14S 966.3793 NA PeJP NA NA +PJ105128 PEEEMFW C45H58N8O14S 966.3794 NA PeJP NA NA +PJ105129 SSLMMMMH C38H66N10O11S4 966.3796 NA PeJP NA NA +PJ105130 CCDERRW C38H58N14O12S2 966.38 NA PeJP NA NA +PJ105131 GGGGGSCMRW C38H58N14O12S2 966.3801 NA PeJP NA NA +PJ105132 NMMMFFF C46H62N8O9S3 966.3802 NA PeJP NA NA +PJ105133 GNNDHHHH C38H50N18O13 966.3805 NA PeJP NA NA +PJ105134 CNNHFFW C46H54N12O10S 966.3807 NA PeJP NA NA +PJ105135 APTEEEEY C41H58N8O19 966.3819 NA PeJP NA NA +PJ105136 GSSSNNDMR C34H58N14O17S 966.3825 NA PeJP NA NA +PJ105137 SSCDDERR C34H58N14O17S 966.3826 NA PeJP NA NA +PJ105138 LEEEMMW C42H62N8O14S2 966.3827 NA PeJP NA NA +PJ105139 SSSSNNWW C42H54N12O15 966.3832 NA PeJP NA NA +PJ105140 SPCCDMRR C35H62N14O12S3 966.3834 NA PeJP NA NA +PJ105141 GCEMRWW C43H58N12O10S2 966.3841 NA PeJP NA NA +PJ105142 TCWWWW C51H54N10O8S 966.3847 NA PeJP NA NA +PJ105143 STLEEEEM C38H62N8O19S 966.3852 NA PeJP NA NA +PJ105144 SPLEEMMM C39H66N8O14S3 966.3861 NA PeJP NA NA +PJ105145 GSSDEMRW C39H58N12O15S 966.3866 NA PeJP NA NA +PJ105146 PPVMMMMM C40H70N8O9S5 966.387 NA PeJP NA NA +PJ105147 SSSEWWW C47H54N10O13 966.3872 NA PeJP NA NA +PJ105148 GSPCMMRW C40H62N12O10S3 966.3874 NA PeJP NA NA +PJ105149 GGPPCCMFR C40H62N12O10S3 966.3875 NA PeJP NA NA +PJ105150 CNDHHRW C40H54N16O11S 966.3879 NA PeJP NA NA +PJ105151 QMMWWW C48H58N10O8S2 966.3881 NA PeJP NA NA +PJ105152 SSSSSQQQE C35H58N12O20 966.389 NA PeJP NA NA +PJ105153 GSSSSEEER C35H58N12O20 966.3891 NA PeJP NA NA +PJ105154 GSQEEMMR C36H62N12O15S2 966.3899 NA PeJP NA NA +PJ105155 GDDDKMMR C36H62N12O15S2 966.39 NA PeJP NA NA +PJ105156 SSNDDHHR C36H54N16O16 966.3904 NA PeJP NA NA +PJ105157 GGGGGGGGGGGSPH C36H54N16O16 966.3905 NA PeJP NA NA +PJ105158 STQEMWW C44H58N10O13S 966.3906 NA PeJP NA NA +PJ105159 GPNMMMMR C37H66N12O10S4 966.3908 NA PeJP NA NA +PJ105160 SYYYWW C52H54N8O11 966.3912 NA PeJP NA NA +PJ105161 SPCCQHHR C37H58N16O11S2 966.3913 NA PeJP NA NA +PJ105162 CLMMHFW C45H62N10O8S3 966.3915 NA PeJP NA NA +PJ105163 GNMHHWW C45H54N14O9S 966.3919 NA PeJP NA NA +PJ105164 SSSDKEEW C40H58N10O18 966.3931 NA PeJP NA NA +PJ105165 SSPTQMMW C41H62N10O13S2 966.3939 NA PeJP NA NA +PJ105166 NKEEMMW C41H62N10O13S2 966.394 NA PeJP NA NA +PJ105167 GSSQEHHW C41H54N14O14 966.3944 NA PeJP NA NA +PJ105168 GGGGGPNEHW C41H54N14O14 966.3945 NA PeJP NA NA +PJ105169 AAMYYYW C49H58N8O11S 966.3946 NA PeJP NA NA +PJ105170 GCCNQMRR C34H62N16O11S3 966.3947 NA PeJP NA NA +PJ105171 GPCCKHHW C42H58N14O9S2 966.3953 NA PeJP NA NA +PJ105172 SSSPTTQEM C37H62N10O18S 966.3964 NA PeJP NA NA +PJ105173 SSQKEEEM C37H62N10O18S 966.3965 NA PeJP NA NA +PJ105174 VEEEEFW C45H58N8O16 966.3971 NA PeJP NA NA +PJ105175 SPNKEMMM C38H66N10O13S3 966.3973 NA PeJP NA NA +PJ105176 GGGAALEMMM C38H66N10O13S3 966.3974 NA PeJP NA NA +PJ105177 SSSCNQRW C38H58N14O14S 966.3978 NA PeJP NA NA +PJ105178 PCKMYYY C46H62N8O11S2 966.398 NA PeJP NA NA +PJ105179 GNNQYWW C46H54N12O12 966.3984 NA PeJP NA NA +PJ105180 GGGNQYWW C46H54N12O12 966.3985 NA PeJP NA NA +PJ105181 ACCCKHFR C39H62N14O9S3 966.3987 NA PeJP NA NA +PJ105182 CMRWWW C47H58N12O7S2 966.3993 NA PeJP NA NA +PJ105183 SSSSSNNER C34H58N14O19 966.4003 NA PeJP NA NA +PJ105184 STTTTMYY C42H62N8O16S 966.4005 NA PeJP NA NA +PJ105185 GSDDMMRR C35H62N14O14S2 966.4012 NA PeJP NA NA +PJ105186 TKMMMYY C43H66N8O11S3 966.4013 NA PeJP NA NA +PJ105187 PPPTMMMY C43H66N8O11S3 966.4014 NA PeJP NA NA +PJ105188 SSDMRWW C43H58N12O12S 966.4018 NA PeJP NA NA +PJ105189 GGGGGGAAMFW C43H58N12O12S 966.4019 NA PeJP NA NA +PJ105190 APCCMMRR C36H66N14O9S4 966.4021 NA PeJP NA NA +PJ105191 NEFWWW C51H54N10O10 966.4025 NA PeJP NA NA +PJ105192 SVLEEEMM C39H66N8O16S2 966.4039 NA PeJP NA NA +PJ105193 SSSSEERW C39H58N12O17 966.4043 NA PeJP NA NA +PJ105194 GGGGGGGKEEY C39H58N12O17 966.4044 NA PeJP NA NA +PJ105195 PVVEMMMM C40H70N8O11S4 966.4047 NA PeJP NA NA +PJ105196 SQEMMRW C40H62N12O12S2 966.4052 NA PeJP NA NA +PJ105197 GNNNQHHF C40H54N16O13 966.4057 NA PeJP NA NA +PJ105198 GTTMWWW C48H58N10O10S 966.4058 NA PeJP NA NA +PJ105199 GGAPMYWW C48H58N10O10S 966.4059 NA PeJP NA NA +PJ105200 CMHHHFR C41H58N16O8S2 966.4065 NA PeJP NA NA +PJ105201 SSTQEEMR C36H62N12O17S 966.4077 NA PeJP NA NA +PJ105202 GSTTTEWW C44H58N10O15 966.4083 NA PeJP NA NA +PJ105203 GGVQEEYW C44H58N10O15 966.4084 NA PeJP NA NA +PJ105204 AAQEMMMR C37H66N12O12S3 966.4086 NA PeJP NA NA +PJ105205 GSNEMHHR C37H58N16O13S 966.409 NA PeJP NA NA +PJ105206 GGGSEMHHR C37H58N16O13S 966.4091 NA PeJP NA NA +PJ105207 GKEMMWW C45H62N10O10S2 966.4092 NA PeJP NA NA +PJ105208 SSQHHWW C45H54N14O11 966.4097 NA PeJP NA NA +PJ105209 ACFFFFW C53H58N8O8S 966.4099 NA PeJP NA NA +PJ105210 GSTKEEMW C41H62N10O15S 966.4117 NA PeJP NA NA +PJ105211 ATTYYYW C49H58N8O13 966.4124 NA PeJP NA NA +PJ105212 GSPKMMMW C42H66N10O10S3 966.4126 NA PeJP NA NA +PJ105213 CNQHFRY C42H58N14O11S 966.413 NA PeJP NA NA +PJ105214 CNNQFRW C42H58N14O11S 966.4131 NA PeJP NA NA +PJ105215 GSSTTKEEE C37H62N10O20 966.4142 NA PeJP NA NA +PJ105216 GDKKEEMM C38H66N10O15S2 966.4151 NA PeJP NA NA +PJ105217 GSSSSSNRW C38H58N14O16 966.4155 NA PeJP NA NA +PJ105218 GGGSSSSSRW C38H58N14O16 966.4156 NA PeJP NA NA +PJ105219 PLEEMYW C46H62N8O13S 966.4157 NA PeJP NA NA +PJ105220 APPEEMFF C46H62N8O13S 966.4158 NA PeJP NA NA +PJ105221 APQKMMMM C39H70N10O10S4 966.416 NA PeJP NA NA +PJ105222 SCEMRRW C39H62N14O11S2 966.4164 NA PeJP NA NA +PJ105223 GGGGALMMHH C39H62N14O11S2 966.4165 NA PeJP NA NA +PJ105224 DEHHHHR C39H54N18O12 966.4169 NA PeJP NA NA +PJ105225 GPCRYWW C47H58N12O9S 966.4171 NA PeJP NA NA +PJ105226 GFWWWW C55H54N10O7 966.4177 NA PeJP NA NA +PJ105227 SPTLEEEY C42H62N8O18 966.4182 NA PeJP NA NA +PJ105228 GVLEEEEY C42H62N8O18 966.4183 NA PeJP NA NA +PJ105229 SSSDEMRR C35H62N14O16S 966.4189 NA PeJP NA NA +PJ105230 SPPLEMMY C43H66N8O13S2 966.4191 NA PeJP NA NA +PJ105231 GQEERYW C43H58N12O14 966.4196 NA PeJP NA NA +PJ105232 NEMMMRR C36H66N14O11S3 966.4198 NA PeJP NA NA +PJ105233 GSCDHHRR C36H58N18O12S 966.4203 NA PeJP NA NA +PJ105234 SVCMRWW C44H62N12O9S2 966.4204 NA PeJP NA NA +PJ105235 GTMMRWW C44H62N12O9S2 966.4205 NA PeJP NA NA +PJ105236 VDHHHHW C44H54N16O10 966.4209 NA PeJP NA NA +PJ105237 ALLEEMMM C40H70N8O13S3 966.4225 NA PeJP NA NA +PJ105238 ASSTEMRW C40H62N12O14S 966.4229 NA PeJP NA NA +PJ105239 GSTTEMRW C40H62N12O14S 966.423 NA PeJP NA NA +PJ105240 STTTWWW C48H58N10O12 966.4236 NA PeJP NA NA +PJ105241 VNMMMRW C41H66N12O9S3 966.4238 NA PeJP NA NA +PJ105242 SNMHHRW C41H58N16O10S 966.4243 NA PeJP NA NA +PJ105243 KMMWWW C49H62N10O7S2 966.4245 NA PeJP NA NA +PJ105244 GHHHFFW C49H54N14O8 966.425 NA PeJP NA NA +PJ105245 ASSSTTEER C36H62N12O19 966.4254 NA PeJP NA NA +PJ105246 GSSTTTEER C36H62N12O19 966.4255 NA PeJP NA NA +PJ105247 GSKEEMMR C37H66N12O14S2 966.4263 NA PeJP NA NA +PJ105248 GPDDDHRR C37H58N16O15 966.4268 NA PeJP NA NA +PJ105249 STKEMWW C45H62N10O12S 966.427 NA PeJP NA NA +HMDB10034 PIP2(16:0/16:2(9Z,12Z)) C41H77O19P3 966.427185 NA HMDB2010 NA NA +HMDB10052 PIP2(16:1(9Z)/16:1(9Z)) C41H77O19P3 966.427185 NA HMDB2010 NA NA +HMDB10056 PIP2(16:2(9Z,12Z)/16:0) C41H77O19P3 966.427185 NA HMDB2010 NA NA +PJ105250 APCKMMMR C38H70N12O9S4 966.4272 NA PeJP NA NA +PJ105251 AAFFYYW C53H58N8O10 966.4276 NA PeJP NA NA +PJ105252 QQMMHHR C38H62N16O10S2 966.4277 NA PeJP NA NA +PJ105253 ACKHHWW C46H58N14O8S 966.4283 NA PeJP NA NA +PJ105254 SSTTKEEW C41H62N10O17 966.4295 NA PeJP NA NA +PJ105255 GSSSSCQRR C34H62N16O15S 966.4302 NA PeJP NA NA +PJ105256 DKKEMMW C42H66N10O12S2 966.4303 NA PeJP NA NA +PJ105257 AATKEMMW C42H66N10O12S2 966.4304 NA PeJP NA NA +MJ098869 13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], [?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester C44H70O23 966.430788 NA MeJP NA NA +MJ098870 13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside], ?-D-glucopyranosyl ester C44H70O23 966.430788 NA MeJP NA NA +PJ105258 GDDRRYW C42H58N14O13 966.4308 NA PeJP NA NA +PJ105259 GGGGGGGAPPHF C42H58N14O13 966.4309 NA PeJP NA NA +PJ105260 PCKFFYY C50H62N8O10S 966.431 NA PeJP NA NA +PJ105261 GGGCCKMRR C35H66N16O10S3 966.4311 NA PeJP NA NA +PJ105262 PCCFRRW C43H62N14O8S2 966.4317 NA PeJP NA NA +PJ105263 TTTQKEEM C38H66N10O17S 966.4328 NA PeJP NA NA +PJ105264 SSKKEEEM C38H66N10O17S 966.4329 NA PeJP NA NA +PJ105265 VLEEEYW C46H62N8O15 966.4335 NA PeJP NA NA +PJ105266 GLQKEMMM C39H70N10O12S3 966.4337 NA PeJP NA NA +PJ105267 SSSCNKRW C39H62N14O13S 966.4342 NA PeJP NA NA +PJ105268 CLKMFYY C47H66N8O10S2 966.4344 NA PeJP NA NA +PJ105269 QERYWW C47H58N12O11 966.4348 NA PeJP NA NA +PJ105270 GGGGGKYWW C47H58N12O11 966.4349 NA PeJP NA NA +PJ105271 GMMMRRW C40H66N14O8S3 966.4351 NA PeJP NA NA +PJ105272 SSSSSNDKR C35H62N14O18 966.4367 NA PeJP NA NA +PJ105273 SPVLEEMY C43H66N8O15S 966.4369 NA PeJP NA NA +PJ105274 GSTEMMRR C36H66N14O13S2 966.4376 NA PeJP NA NA +PJ105275 PPVVMMMY C44H70N8O10S3 966.4377 NA PeJP NA NA +PJ105276 GNNNQQHR C36H58N18O14 966.438 NA PeJP NA NA +PJ105277 GGGGGGGQQHR C36H58N18O14 966.4381 NA PeJP NA NA +PJ105278 STTMRWW C44H62N12O11S 966.4382 NA PeJP NA NA +PJ105279 VQYWWW C52H58N10O9 966.4389 NA PeJP NA NA +PJ105280 TTLLEEMM C40H70N8O15S2 966.4402 NA PeJP NA NA +PJ105281 SSTTTERW C40H62N12O16 966.4407 NA PeJP NA NA +PJ105282 PTLLMMMM C41H74N8O10S4 966.4411 NA PeJP NA NA +PJ105283 SKEMMRW C41H66N12O11S2 966.4416 NA PeJP NA NA +PJ105284 NQEHHFR C41H58N16O12 966.442 NA PeJP NA NA +PJ105285 GSSTHHRW C41H58N16O12 966.4421 NA PeJP NA NA +PJ105286 GPKMYWW C49H62N10O9S 966.4422 NA PeJP NA NA +PJ105287 SSTKEEMR C37H66N12O16S 966.4441 NA PeJP NA NA +PJ105288 SSSTTLWW C45H62N10O14 966.4447 NA PeJP NA NA +PJ105289 GGPPPLDEW C45H62N10O14 966.4448 NA PeJP NA NA +PJ105290 AAKEMMMR C38H70N12O11S3 966.445 NA PeJP NA NA +PJ105291 NNNMRRY C38H62N16O12S 966.4454 NA PeJP NA NA +PJ105292 GGGGGAAPMHR C38H62N16O12S 966.4455 NA PeJP NA NA +PJ105293 SVKMMWW C46H66N10O9S2 966.4456 NA PeJP NA NA +PJ105294 GPEHRWW C46H58N14O10 966.4461 NA PeJP NA NA +PJ105295 SSSSSSNRR C34H62N16O17 966.4479 NA PeJP NA NA +PJ105296 SSSLKEMW C42H66N10O14S 966.4481 NA PeJP NA NA +PJ105297 PPLEYYW C50H62N8O12 966.4487 NA PeJP NA NA +PJ105298 PLEEFFW C50H62N8O12 966.4488 NA PeJP NA NA +PJ105299 LQKMMMW C43H70N10O9S3 966.449 NA PeJP NA NA +PJ105300 SPCRRYW C43H62N14O10S 966.4494 NA PeJP NA NA +PJ105301 GDMFRRW C43H62N14O10S 966.4495 NA PeJP NA NA +PJ105302 ARYWWW C51H58N12O8 966.4501 NA PeJP NA NA +PJ105303 SSSSTLKEE C38H66N10O19 966.4506 NA PeJP NA NA +PJ105304 ATKKEEMM C39H70N10O14S2 966.4515 NA PeJP NA NA +PJ105305 SQEERRY C39H62N14O15 966.4519 NA PeJP NA NA +PJ105306 GGTEERRY C39H62N14O15 966.452 NA PeJP NA NA +PJ105307 LLEEMFW C47H66N8O12S 966.4521 NA PeJP NA NA +PJ105308 APKKMMMM C40H74N10O9S4 966.4524 NA PeJP NA NA +PJ105309 STMMRRW C40H66N14O10S2 966.4528 NA PeJP NA NA +PJ105310 GSQKHHHH C40H58N18O11 966.4533 NA PeJP NA NA +PJ105311 AAMFRWW C48H62N12O8S 966.4535 NA PeJP NA NA +PJ105312 ATLLEEEY C43H66N8O17 966.4546 NA PeJP NA NA +PJ105313 SSTTEMRR C36H66N14O15S 966.4553 NA PeJP NA NA +PJ105314 APLLEMMY C44H70N8O12S2 966.4555 NA PeJP NA NA +PJ105315 GKEERYW C44H62N12O13 966.456 NA PeJP NA NA +PJ105316 DKMMMRR C37H70N14O10S3 966.4562 NA PeJP NA NA +PJ105317 GSSMHHRR C37H62N18O11S 966.4567 NA PeJP NA NA +PJ105318 PCKMFRW C45H66N12O8S2 966.4568 NA PeJP NA NA +PJ105319 GQHHFRW C45H58N16O9 966.4573 NA PeJP NA NA +PJ105320 SLLLEMMM C41H74N8O12S3 966.4589 NA PeJP NA NA +PJ105321 SSSTLMRW C41H66N12O13S 966.4593 NA PeJP NA NA +PJ105322 GGAALEMRY C41H66N12O13S 966.4594 NA PeJP NA NA +PJ105323 GVKEYWW C49H62N10O11 966.46 NA PeJP NA NA +PJ105324 CLKMMRW C42H70N12O8S3 966.4602 NA PeJP NA NA +PJ105325 TCKHHRW C42H62N16O9S 966.4607 NA PeJP NA NA +PJ105326 PHRWWW C50H58N14O7 966.4613 NA PeJP NA NA +PJ105327 SSSSTTLER C37H66N12O18 966.4618 NA PeJP NA NA +PJ105328 ATTKEMMR C38H70N12O13S2 966.4627 NA PeJP NA NA +PJ105329 SDDRRRY C38H62N16O14 966.4632 NA PeJP NA NA +PJ105330 PDKKMYW C46H66N10O11S 966.4634 NA PeJP NA NA +PJ105331 VNFFFFF C54H62N8O9 966.464 NA PeJP NA NA +PJ105332 APPCMHRR C39H66N16O9S2 966.4641 NA PeJP NA NA +PJ105333 ASSTTTTLW C42H66N10O16 966.4658 NA PeJP NA NA +PJ105334 TTTTTKEW C42H66N10O16 966.4659 NA PeJP NA NA +PJ105335 GSSSSCKRR C35H66N16O14S 966.4666 NA PeJP NA NA +PJ105336 GTTLKMMW C43H70N10O11S2 966.4667 NA PeJP NA NA +PJ105337 GGGAALLMMF C43H70N10O11S2 966.4668 NA PeJP NA NA +MJ098871 Spirostane-2,3,5,6,24-pentol, 2-O-?-D-Glucopyranoside, 24-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C45H74O22 966.467174 NA MeJP NA NA +PJ105338 GTERRYW C43H62N14O12 966.4672 NA PeJP NA NA +PJ105339 CLKFFFY C51H66N8O9S 966.4674 NA PeJP NA NA +PJ105340 PHHHHFR C44H58N18O8 966.4686 NA PeJP NA NA +PJ105341 TTTKKEEM C39H70N10O16S 966.4692 NA PeJP NA NA +PJ105342 SPPVLEYY C47H66N8O14 966.4699 NA PeJP NA NA +PJ105343 GLKKEMMM C40H74N10O11S3 966.4701 NA PeJP NA NA +PJ105344 VNEMRRY C40H66N14O12S 966.4706 NA PeJP NA NA +PJ105345 PPVVMMFF C48H70N8O9S2 966.4708 NA PeJP NA NA +PJ105346 KERYWW C48H62N12O10 966.4712 NA PeJP NA NA +PJ105347 LMHHHHR C41H62N18O8S 966.4719 NA PeJP NA NA +PJ105348 SSSSSTQKR C36H66N14O17 966.4731 NA PeJP NA NA +PJ105349 GLLLEEMY C44H70N8O14S 966.4733 NA PeJP NA NA +PJ105350 SSSLMMRR C37H70N14O12S2 966.4739 NA PeJP NA NA +PJ105351 GGSTCKKMR C37H70N14O12S2 966.474 NA PeJP NA NA +PJ105352 PVVLMMMF C45H74N8O9S3 966.4741 NA PeJP NA NA +PJ105353 SSSTHHRR C37H62N18O13 966.4744 NA PeJP NA NA +PJ105354 GGGGGGGGAKHR C37H62N18O13 966.4745 NA PeJP NA NA +PJ105355 SPKMRYW C45H66N12O10S 966.4746 NA PeJP NA NA +PJ105356 VKYWWW C53H62N10O8 966.4752 NA PeJP NA NA +PJ105357 PPPVWWW C53H62N10O8 966.4753 NA PeJP NA NA +PJ105358 TTTTTTRW C41H66N12O15 966.4771 NA PeJP NA NA +PJ105359 VVLLMMMM C42H78N8O9S4 966.4775 NA PeJP NA NA +PJ105360 GSCKKKMW C42H70N12O10S2 966.478 NA PeJP NA NA +PJ105361 SPEHRRW C42H62N16O11 966.4784 NA PeJP NA NA +PJ105362 GGGGLQHRW C42H62N16O11 966.4785 NA PeJP NA NA +PJ105363 GLKMFWW C50H66N10O8S 966.4786 NA PeJP NA NA +PJ105364 TTTTKEMR C38H70N12O15S 966.4805 NA PeJP NA NA +PJ105365 VDKKEYW C46H66N10O13 966.4811 NA PeJP NA NA +PJ105366 GTLKMMMR C39H74N12O10S3 966.4813 NA PeJP NA NA +PJ105367 GEMRRRY C39H66N16O11S 966.4818 NA PeJP NA NA +PJ105368 PKKMMFW C47H70N10O8S2 966.482 NA PeJP NA NA +PJ105369 TRRYWW C47H62N14O9 966.4825 NA PeJP NA NA +PJ105370 STTTLKMW C43H70N10O13S 966.4845 NA PeJP NA NA +PJ105371 PLLEFYW C51H66N8O11 966.4851 NA PeJP NA NA +PJ105372 SSCCKKRR C36H70N16O11S2 966.4852 NA PeJP NA NA +PJ105373 LKKMMMW C44H74N10O8S3 966.4854 NA PeJP NA NA +PJ105374 NNDHRRR C36H62N20O12 966.4857 NA PeJP NA NA +PJ105375 GVMRRYW C44H66N14O9S 966.4858 NA PeJP NA NA +PJ105376 SSTTTTLKE C39H70N10O18 966.487 NA PeJP NA NA +PJ105377 STLKKEMM C40H74N10O13S2 966.4879 NA PeJP NA NA +PJ105378 SKEERRY C40H66N14O14 966.4883 NA PeJP NA NA +PJ105379 GGGLLEEHR C40H66N14O14 966.4884 NA PeJP NA NA +PJ105380 LLLEMYW C48H70N8O11S 966.4885 NA PeJP NA NA +PJ105381 VQMMFRR C41H70N14O9S2 966.4892 NA PeJP NA NA +PJ105382 GQQHRRW C41H62N18O10 966.4897 NA PeJP NA NA +PJ105383 STLLLEEY C44H70N8O16 966.491 NA PeJP NA NA +PJ105384 TTTTTMRR C37H70N14O14S 966.4917 NA PeJP NA NA +PJ105385 SPLLLMMY C45H74N8O11S2 966.4919 NA PeJP NA NA +PJ105386 SVKERYW C45H66N12O12 966.4923 NA PeJP NA NA +PJ105387 VTDKRYW C45H66N12O12 966.4924 NA PeJP NA NA +PJ105388 ACCKKKMR C38H74N14O9S3 966.4926 NA PeJP NA NA +PJ105389 PDMHRRR C38H66N18O10S 966.4931 NA PeJP NA NA +PJ105390 GKHHFRW C46H62N16O8 966.4937 NA PeJP NA NA +PJ105391 SSTCKKKW C42H70N12O12S 966.4957 NA PeJP NA NA +PJ105392 GGGGGPPPLKM C42H70N12O12S 966.4958 NA PeJP NA NA +PJ105393 ATLKYWW C50H66N10O10 966.4964 NA PeJP NA NA +PJ105394 MRRRYW C43H66N16O8S 966.4971 NA PeJP NA NA +PJ105395 SSTTTTTLR C38H70N12O17 966.4982 NA PeJP NA NA +PJ105396 STTLKMMR C39H74N12O12S2 966.4991 NA PeJP NA NA +PJ105397 STERRRY C39H66N16O13 966.4996 NA PeJP NA NA +PJ105398 VLQKMYW C47H70N10O10S 966.4997 NA PeJP NA NA +PJ105399 GGLLKMYW C47H70N10O10S 966.4998 NA PeJP NA NA +PJ105400 AMMFRRR C40H70N16O8S2 966.5004 NA PeJP NA NA +PJ105401 PQHHHRR C40H62N20O9 966.5009 NA PeJP NA NA +PJ105402 ASLKKEEY C43H70N10O15 966.5022 NA PeJP NA NA +PJ105403 GTLKKEEY C43H70N10O15 966.5023 NA PeJP NA NA +PJ105404 GPLKKMMY C44H74N10O10S2 966.5031 NA PeJP NA NA +PJ105405 SSLRRYW C44H66N14O11 966.5036 NA PeJP NA NA +PJ105406 SSSTTLLKM C40H74N10O15S 966.5056 NA PeJP NA NA +PJ105407 GPLLLEYY C48H70N8O13 966.5063 NA PeJP NA NA +PJ105408 SVLKKMMM C41H78N10O10S3 966.5065 NA PeJP NA NA +PJ105409 VDKMRRY C41H70N14O11S 966.507 NA PeJP NA NA +PJ105410 PTLKHWW C49H66N12O9 966.5076 NA PeJP NA NA +PJ105411 SSSSSTKKR C37H70N14O16 966.5094 NA PeJP NA NA +PJ105412 SVLLLEMY C45H74N8O13S 966.5096 NA PeJP NA NA +PJ105413 SSCKKKMR C38H74N14O11S2 966.5103 NA PeJP NA NA +PJ105414 VDEHRRR C38H66N18O12 966.5108 NA PeJP NA NA +PJ105415 ALKMRYW C46H70N12O9S 966.511 NA PeJP NA NA +PJ105416 GTTLKERY C42H70N12O14 966.5135 NA PeJP NA NA +PJ105417 AALKMMFR C43H74N12O9S2 966.5144 NA PeJP NA NA +PJ105418 ALEHRRW C43H66N16O10 966.5148 NA PeJP NA NA +PJ105419 GSSTTKKKM C39H74N12O14S 966.5168 NA PeJP NA NA +PJ105420 ASSSTKKKM C39H74N12O14S 966.5169 NA PeJP NA NA +PJ105421 TLKKEYW C47H70N10O12 966.5175 NA PeJP NA NA +PJ105422 ACKKKKMM C40H78N12O9S3 966.5177 NA PeJP NA NA +PJ105423 SVMRRRY C40H70N16O10S 966.5182 NA PeJP NA NA +MJ098872 Hederagenin 3-glycosides; Triglycosides, 3-O-[3,4-Di-O-acetyl-?-D-xylopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C50H78O18 966.518815 NA MeJP NA NA +MJ098873 Hederagenin 3-glycosides; Triglycosides, 3-O-[3,4-Di-O-acetyl-?-L-arabinopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] C50H78O18 966.518815 NA MeJP NA NA +MJ098874 Pfaffic acid; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-(6-O-butylglucuronopyranoside)], 28-?-D-glucopyranosyl ester C50H78O18 966.518815 NA MeJP NA NA +PJ105424 GLLHRWW C48H66N14O8 966.5189 NA PeJP NA NA +PJ105425 GVLKKEMY C44H74N10O12S 966.5209 NA PeJP NA NA +PJ105426 PLLLYYW C52H70N8O10 966.5215 NA PeJP NA NA +PJ105427 SQQHRRR C37H66N20O11 966.522 NA PeJP NA NA +PJ105428 GGGATHRRR C37H66N20O11 966.5221 NA PeJP NA NA +PJ105429 PLKMHRW C45H70N14O8S 966.5222 NA PeJP NA NA +PJ105430 TTTTTTTLK C40H74N10O17 966.5234 NA PeJP NA NA +HMDB09922 PIP(16:0/22:4(10Z,13Z,16Z,19Z)) C47H84O16P2 966.523438 NA HMDB2010 NA NA +HMDB09936 PIP(16:0/22:4(7Z,10Z,13Z,16Z)) C47H84O16P2 966.523438 NA HMDB2010 NA NA +HMDB09956 PIP(18:0/20:4(5Z,8Z,11Z,14Z)) C47H84O16P2 966.523438 NA HMDB2010 NA NA +HMDB09957 PIP(18:0/20:4(8Z,11Z,14Z,17Z)) C47H84O16P2 966.523438 NA HMDB2010 NA NA +HMDB09965 PIP(18:1(11Z)/20:3(5Z,8Z,11Z)) C47H84O16P2 966.523438 NA HMDB2010 NA NA +HMDB09966 PIP(18:1(11Z)/20:3(8Z,11Z,14Z)) C47H84O16P2 966.523438 NA HMDB2010 NA NA +HMDB09978 PIP(18:1(9Z)/20:3(5Z,8Z,11Z)) C47H84O16P2 966.523438 NA HMDB2010 NA NA +HMDB09979 PIP(18:1(9Z)/20:3(8Z,11Z,14Z)) C47H84O16P2 966.523438 NA HMDB2010 NA NA +HMDB09990 PIP(18:2(9Z,12Z)/20:2(11Z,14Z)) C47H84O16P2 966.523438 NA HMDB2010 NA NA +HMDB10004 PIP(20:2(11Z,14Z)/18:2(9Z,12Z)) C47H84O16P2 966.523438 NA HMDB2010 NA NA +HMDB10007 PIP(20:3(5Z,8Z,11Z)/18:1(11Z)) C47H84O16P2 966.523438 NA HMDB2010 NA NA +HMDB10008 PIP(20:3(5Z,8Z,11Z)/18:1(9Z)) C47H84O16P2 966.523438 NA HMDB2010 NA NA +HMDB10012 PIP(20:3(8Z,11Z,14Z)/18:1(11Z)) C47H84O16P2 966.523438 NA HMDB2010 NA NA +HMDB10013 PIP(20:3(8Z,11Z,14Z)/18:1(9Z)) C47H84O16P2 966.523438 NA HMDB2010 NA NA +HMDB10016 PIP(20:4(5Z,8Z,11Z,14Z)/18:0) C47H84O16P2 966.523438 NA HMDB2010 NA NA +HMDB10020 PIP(20:4(8Z,11Z,14Z,17Z)/18:0) C47H84O16P2 966.523438 NA HMDB2010 NA NA +HMDB10027 PIP(22:4(10Z,13Z,16Z,19Z)/16:0) C47H84O16P2 966.523438 NA HMDB2010 NA NA +HMDB10028 PIP(22:4(7Z,10Z,13Z,16Z)/16:0) C47H84O16P2 966.523438 NA HMDB2010 NA NA +PJ105431 GTTTLRRY C41H70N14O13 966.5247 NA PeJP NA NA +PJ105432 GGGGGGGPPVKK C41H70N14O13 966.5248 NA PeJP NA NA +PJ105433 APLLLMFY C49H74N8O10S 966.5249 NA PeJP NA NA +PJ105434 VKMMFRR C42H74N14O8S2 966.5256 NA PeJP NA NA +PJ105435 GQKHRRW C42H66N18O9 966.5261 NA PeJP NA NA +PJ105436 ALLLLMMY C46H78N8O10S2 966.5283 NA PeJP NA NA +PJ105437 TTLKRYW C46H70N12O11 966.5287 NA PeJP NA NA +PJ105438 GPPLLERW C46H70N12O11 966.5288 NA PeJP NA NA +PJ105439 FFRRRW C47H66N16O7 966.5301 NA PeJP NA NA +PJ105440 LKKEMRY C43H74N12O11S 966.5321 NA PeJP NA NA +PJ105441 GPPVLLWW C51H70N10O9 966.5328 NA PeJP NA NA +PJ105442 SSSTTTKKK C39H74N12O16 966.5346 NA PeJP NA NA +PJ105443 SSKKKKMM C40H78N12O11S2 966.5355 NA PeJP NA NA +PJ105444 LKEEHRR C40H70N16O12 966.536 NA PeJP NA NA +PJ105445 VLKKMYW C48H74N10O9S 966.5361 NA PeJP NA NA +PJ105446 PKHHHRR C41H66N20O8 966.5373 NA PeJP NA NA +PJ105447 SSLLKKEY C44H74N10O14 966.5386 NA PeJP NA NA +PJ105448 GPPVVLKEE C44H74N10O14 966.5387 NA PeJP NA NA +PJ105449 GLLKKMMF C45H78N10O9S2 966.5395 NA PeJP NA NA +PJ105450 VLKEHRW C45H70N14O10 966.54 NA PeJP NA NA +PJ105451 SPVLLLYY C49H74N8O12 966.5427 NA PeJP NA NA +PJ105452 TLKMRRY C42H74N14O10S 966.5433 NA PeJP NA NA +PJ105453 GGKKKMRY C42H74N14O10S 966.5434 NA PeJP NA NA +PJ105454 PPLLRWW C50H70N12O8 966.544 NA PeJP NA NA +PJ105455 TTLLLLMY C46H78N8O12S 966.546 NA PeJP NA NA +PJ105456 TLEHRRR C39H70N18O11 966.5472 NA PeJP NA NA +PJ105457 CKKKKFW C47H74N12O8S 966.5474 NA PeJP NA NA +PJ105458 SSTLLKRY C43H74N12O13 966.5499 NA PeJP NA NA +PJ105459 SLLHRRW C44H70N16O9 966.5512 NA PeJP NA NA +PJ105460 PPVVLKEW C48H74N10O11 966.5539 NA PeJP NA NA +PJ105461 AALLMHRR C41H74N16O9S 966.5546 NA PeJP NA NA +MJ098875 3,12,14-Trihydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C51H82O17 966.555201 NA MeJP NA NA +PJ105462 ATLLKKMY C45H78N10O11S 966.5573 NA PeJP NA NA +PJ105463 LLLLFYW C53H74N8O9 966.5579 NA PeJP NA NA +PJ105464 SQKHRRR C38H70N20O10 966.5584 NA PeJP NA NA +PJ105465 GSTKKKRY C42H74N14O12 966.5611 NA PeJP NA NA +PJ105466 ALLLLMFF C50H78N8O9S 966.5613 NA PeJP NA NA +PJ105467 GKKHRRW C43H70N18O8 966.5624 NA PeJP NA NA +PJ105468 PVHFRRR C43H70N18O8 966.5625 NA PeJP NA NA +PJ105469 SKKKKYW C47H74N12O10 966.5651 NA PeJP NA NA +PJ105470 VLMHRRR C40H74N18O8S 966.5658 NA PeJP NA NA +PJ105471 AAKKKKMY C44H78N12O10S 966.5685 NA PeJP NA NA +PJ105472 VLKKFFW C52H74N10O8 966.5691 NA PeJP NA NA +PJ105473 ATTLLHRR C41H74N16O11 966.5723 NA PeJP NA NA +PJ105474 GPPKKERR C41H74N16O11 966.5724 NA PeJP NA NA +PJ105475 TTTLLKKY C45H78N10O13 966.575 NA PeJP NA NA +MJ098876 Halymecin A; 3'''-O-?-D-Mannopyranoside C48H86O19 966.57633 NA MeJP NA NA +PJ105476 GPPVKKRW C46H74N14O9 966.5764 NA PeJP NA NA +PJ105477 GLLLLLYY C50H78N8O11 966.579 NA PeJP NA NA +PJ105478 PPVVLMRR C43H78N14O9S 966.5797 NA PeJP NA NA +PJ105479 GPPTKRRR C40H74N18O10 966.5836 NA PeJP NA NA +PJ105480 ATTKKKKY C44H78N12O12 966.5863 NA PeJP NA NA +PJ105481 PPKKRRW C45H74N16O8 966.5876 NA PeJP NA NA +PJ105482 PPTLLLKW C49H78N10O10 966.5903 NA PeJP NA NA +PJ105483 GPPVLLLKM C46H82N10O10S 966.5937 NA PeJP NA NA +PJ105484 PVQRRRR C39H74N20O9 966.5948 NA PeJP NA NA +PJ105485 APLLLERR C43H78N14O11 966.5975 NA PeJP NA NA +PJ105486 GPLLLLRW C48H78N12O9 966.6015 NA PeJP NA NA +PJ105487 PPLLLKMR C45H82N12O9S 966.6049 NA PeJP NA NA +PJ105488 APRRRRR C38H74N22O8 966.606 NA PeJP NA NA +PJ105489 SPPVKKRR C42H78N16O10 966.6087 NA PeJP NA NA +PJ105490 AAPLLLLKE C46H82N10O12 966.6114 NA PeJP NA NA +PJ105491 LKKKKHW C47H78N14O8 966.6127 NA PeJP NA NA +PJ105492 AAPLKRRR C41H78N18O9 966.62 NA PeJP NA NA +PJ105493 AAPTLLLLR C45H82N12O11 966.6226 NA PeJP NA NA +PJ105494 PVLLLKER C45H82N12O11 966.6227 NA PeJP NA NA +PJ105495 PVVLLLKW C50H82N10O9 966.6267 NA PeJP NA NA +PJ105496 PVKRRRR C40H78N20O8 966.6312 NA PeJP NA NA +PJ105497 SPLLLLRR C44H82N14O10 966.6339 NA PeJP NA NA +PJ105498 GPLLKKRR C43H82N16O9 966.6451 NA PeJP NA NA +MJ098877 Circulocin ? C47H86N10O11 966.647753 NA MeJP NA NA +PJ105499 GPTLLLLLK C47H86N10O11 966.6478 NA PeJP NA NA +PJ105500 VLLLLLQR C46H86N12O10 966.659 NA PeJP NA NA +PJ105501 ALLLLLRR C45H86N14O9 966.6703 NA PeJP NA NA +PJ105502 AALLLLLLK C48H90N10O10 966.6842 NA PeJP NA NA +PJ105503 VLLLLLKR C47H90N12O9 966.6954 NA PeJP NA NA +HMDB05416 TG(20:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso3] C63H114O6 966.86151 http://www.hmdb.ca/metabolites/HMDB05416 HMDB NA NA +HMDB05416 TG(20:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso3] C63H114O6 966.86151 HMDB05416 PFEM_hmdb_metabocards_official NA NA +HMDB05416 TG(20:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso3] C63H114O6 966.861511 NA HMDB2010 NA NA +PJ105504 CCCCCCCNN C29H49N11O12S7 967.1608 NA PeJP NA NA +C02611 (E,E)-Piperoyl-CoA C33H44N7O19P3S 967.1626 NA KEGG NA NA +PJ105505 SCCCCCCDE C30H49N9O15S6 967.1673 NA PeJP NA NA +PJ105506 PCCCCCCCM C31H53N9O10S8 967.1682 NA PeJP NA NA +PJ105507 GCCCCCDMM C31H53N9O12S7 967.1859 NA PeJP NA NA +PJ105508 GCCCCCDDF C34H49N9O14S5 967.2003 NA PeJP NA NA +PJ105509 SSCCCCCEM C31H53N9O14S6 967.2037 NA PeJP NA NA +PJ105510 GCCCCCCHH C32H49N13O10S6 967.205 NA PeJP NA NA +PJ105511 GSCCCCDDY C34H49N9O16S4 967.2181 NA PeJP NA NA +PJ105512 APCCCCCCY C35H53N9O11S6 967.2189 NA PeJP NA NA +PJ105513 GSCCCCMMM C32H57N9O11S7 967.2223 NA PeJP NA NA +PJ105514 PPCCCCCCH C34H53N11O10S6 967.2302 NA PeJP NA NA +PJ105515 CCCCNEMY C35H53N9O13S5 967.2367 NA PeJP NA NA +PJ105516 SSTCCCCMM C32H57N9O13S6 967.24 NA PeJP NA NA +PJ105517 GCCCCNNDH C32H49N13O14S4 967.2405 NA PeJP NA NA +PJ105518 GSCCCDDEH C33H49N11O17S3 967.2471 NA PeJP NA NA +PJ105519 CCCCCDRY C34H53N11O12S5 967.2479 NA PeJP NA NA +PJ105520 GCCCCMYW C39H53N9O10S5 967.2519 NA PeJP NA NA +PJ105521 GSDDDDDDD C33H45N9O25 967.2527 NA PeJP NA NA +PJ105522 GPCCDDDDE C34H49N9O20S2 967.2536 NA PeJP NA NA +PJ105523 GSSCCCDMY C35H53N9O15S4 967.2544 NA PeJP NA NA +PJ105524 CCCCQMMF C36H57N9O10S6 967.2553 NA PeJP NA NA +PJ105525 SCCCDDHW C37H49N11O14S3 967.2623 NA PeJP NA NA +PJ105526 SSSCCDDDH C33H49N11O19S2 967.2648 NA PeJP NA NA +PJ105527 CCNDDMMH C34H53N11O14S4 967.2657 NA PeJP NA NA +PJ105528 CCCCCMFR C35H57N11O9S6 967.2665 NA PeJP NA NA +PJ105529 PCCDDDDW C38H49N9O17S2 967.2688 NA PeJP NA NA +PJ105530 STCCCCYW C39H53N9O12S4 967.2697 NA PeJP NA NA +PJ105531 NDDDDDEM C34H49N9O22S 967.2713 NA PeJP NA NA +PJ105532 SSSSCCCEY C35H53N9O17S3 967.2722 NA PeJP NA NA +PJ105533 SCCCQMMY C36H57N9O12S5 967.2731 NA PeJP NA NA +MJ098878 Perdeacylwilfortrine; 2,26-Bis-O-(3-furancarbonyl), 1,6,8,9,14-penta-Ac C46H49NO22 967.274622 NA MeJP NA NA +PJ105534 GCCNNNNDD C32H49N13O18S2 967.276 NA PeJP NA NA +PJ105535 GGGGGCCNNDD C32H49N13O18S2 967.2761 NA PeJP NA NA +PJ105536 CCCCDEHR C33H53N13O13S4 967.2769 NA PeJP NA NA +PJ105537 CCNDDDHF C37H49N11O16S2 967.2801 NA PeJP NA NA +PJ105538 GCCCEMHW C38H53N11O11S4 967.2809 NA PeJP NA NA +PJ105539 CDDDDDDR C33H49N11O21S 967.2826 NA PeJP NA NA +PJ105540 GSSCCDEMH C34H53N11O16S3 967.2834 NA PeJP NA NA +PJ105541 GGGGAPCCCDE C34H53N11O16S3 967.2835 NA PeJP NA NA +PJ105542 SCCCCMRY C35H57N11O11S5 967.2843 NA PeJP NA NA +PJ105543 CCCNDHHH C35H49N15O12S3 967.2848 NA PeJP NA NA +PJ105544 GCCCCFFW C43H53N9O9S4 967.285 NA PeJP NA NA +PJ105545 GDDDDDMW C38H49N9O19S 967.2866 NA PeJP NA NA +PJ105546 GCCNDMYY C39H53N9O14S3 967.2874 NA PeJP NA NA +PJ105547 GGGCCDMYY C39H53N9O14S3 967.2875 NA PeJP NA NA +PJ105548 GSSDDDDEE C34H49N9O24 967.2891 NA PeJP NA NA +PJ105549 GSPCDDDEM C35H53N9O19S2 967.29 NA PeJP NA NA +PJ105550 GSSSCCMMY C36H57N9O14S4 967.2908 NA PeJP NA NA +PJ105551 CCCCKMMF C37H61N9O9S6 967.2917 NA PeJP NA NA +PJ105552 SSSCCCNQH C33H53N13O15S3 967.2947 NA PeJP NA NA +PJ105553 CCCMHWW C42H53N11O8S4 967.2962 NA PeJP NA NA +PJ105554 SCNNDDDW C37H49N11O18S 967.2978 NA PeJP NA NA +PJ105555 SSCCDMHW C38H53N11O13S3 967.2987 NA PeJP NA NA +PJ105556 SSSNNDDDD C33H49N11O23 967.3003 NA PeJP NA NA +PJ105557 SSSSCDDMH C34H53N11O18S2 967.3012 NA PeJP NA NA +PJ105558 CDDDEWW C42H49N9O16S 967.3018 NA PeJP NA NA +PJ105559 SCNDMMMH C35H57N11O13S4 967.302 NA PeJP NA NA +PJ105560 GGSCDMMMH C35H57N11O13S4 967.3021 NA PeJP NA NA +PJ105561 CCCQYYW C43H53N9O11S3 967.3027 NA PeJP NA NA +PJ105562 SSDDDDEW C38H49N9O21 967.3043 NA PeJP NA NA +PJ105563 GGPDDDDDY C38H49N9O21 967.3044 NA PeJP NA NA +PJ105564 SPCDDDMW C39H53N9O16S2 967.3052 NA PeJP NA NA +PJ105565 PPCCCEMW C40H57N9O11S4 967.3061 NA PeJP NA NA +PJ105566 SNDDEEEM C35H53N9O21S 967.3077 NA PeJP NA NA +PJ105567 DDDDYYY C43H49N7O19 967.3084 NA PeJP NA NA +PJ105568 SSSSTCCMY C36H57N9O16S3 967.3086 NA PeJP NA NA +PJ105569 SCCCKMMY C37H61N9O11S5 967.3094 NA PeJP NA NA +PJ105570 CCCNNQHF C37H53N13O12S3 967.3099 NA PeJP NA NA +PJ105571 CCNNDDER C33H53N13O17S2 967.3124 NA PeJP NA NA +PJ105572 GGGGGGGGGSCDM C33H53N13O17S2 967.3125 NA PeJP NA NA +PJ105573 DDMMMYY C41H57N7O14S3 967.3126 NA PeJP NA NA +PJ105574 SCCCEMHR C34H57N13O12S4 967.3133 NA PeJP NA NA +PJ105575 GPCCCNWW C42H53N11O10S3 967.3139 NA PeJP NA NA +PJ105576 NNNDDDDF C37H49N11O20 967.3156 NA PeJP NA NA +PJ105577 GCNNDEMW C38H53N11O15S2 967.3164 NA PeJP NA NA +PJ105578 GGGCNDEMW C38H53N11O15S2 967.3165 NA PeJP NA NA +PJ105579 MMMMMMY C39H65N7O9S6 967.3168 NA PeJP NA NA +PJ105580 GTCCMMHW C39H57N11O10S4 967.3173 NA PeJP NA NA +PJ105581 GSSNNDDEM C34H53N11O20S 967.3189 NA PeJP NA NA +PJ105582 SDDDDDMR C34H53N11O20S 967.319 NA PeJP NA NA +PJ105583 PCCDDEMR C35H57N11O15S3 967.3198 NA PeJP NA NA +PJ105584 CNNNDDHH C35H49N15O16S 967.3203 NA PeJP NA NA +PJ105585 GSSCCYYW C43H53N9O13S2 967.3205 NA PeJP NA NA +PJ105586 GCQMMMMH C36H61N11O10S5 967.3207 NA PeJP NA NA +PJ105587 SCCNMHHH C36H53N15O11S3 967.3212 NA PeJP NA NA +PJ105588 GSSSSCDYY C39H53N9O18S 967.3229 NA PeJP NA NA +PJ105589 GSDDEEMW C39H53N9O18S 967.323 NA PeJP NA NA +PJ105590 GPCDEMMW C40H57N9O13S3 967.3238 NA PeJP NA NA +PJ105591 GSSSDEEEE C35H53N9O23 967.3255 NA PeJP NA NA +PJ105592 GNEEEEMM C36H57N9O18S2 967.3263 NA PeJP NA NA +PJ105593 GGGEEEEMM C36H57N9O18S2 967.3264 NA PeJP NA NA +PJ105594 SNDDDEHH C36H49N13O19 967.3268 NA PeJP NA NA +PJ105595 DDDMFYY C44H53N7O16S 967.327 NA PeJP NA NA +PJ105596 GSPPCDMMM C37H61N9O13S4 967.3272 NA PeJP NA NA +PJ105597 GCCNDDRW C37H53N13O14S2 967.3277 NA PeJP NA NA +PJ105598 PCCCCHFR C38H57N13O9S4 967.3286 NA PeJP NA NA +PJ105599 GSSCNDDDR C33H53N13O19S 967.3302 NA PeJP NA NA +PJ105600 GSPCCCNER C34H57N13O14S3 967.331 NA PeJP NA NA +PJ105601 GGGSPCCCER C34H57N13O14S3 967.3311 NA PeJP NA NA +PJ105602 DMMMMFY C42H61N7O11S4 967.3312 NA PeJP NA NA +PJ105603 CNNDMWW C42H53N11O12S2 967.3317 NA PeJP NA NA +PJ105604 GCCMMMHR C35H61N13O9S5 967.3319 NA PeJP NA NA +PJ105605 SSNNDDMW C38H53N11O17S 967.3342 NA PeJP NA NA +PJ105606 SSSCMMHW C39H57N11O12S3 967.3351 NA PeJP NA NA +PJ105607 SSSSNNDEE C34H53N11O22 967.3367 NA PeJP NA NA +PJ105608 GDDDEMMR C35H57N11O17S2 967.3376 NA PeJP NA NA +PJ105609 SDDEMWW C43H53N9O15S 967.3382 NA PeJP NA NA +PJ105610 SSNMMMMH C36H61N11O12S4 967.3384 NA PeJP NA NA +PJ105611 GGGGPCQMMM C36H61N11O12S4 967.3385 NA PeJP NA NA +PJ105612 GSSTCCHHH C36H53N15O13S2 967.3389 NA PeJP NA NA +PJ105613 PCDMMWW C44H57N9O10S3 967.3391 NA PeJP NA NA +PJ105614 SSSDEEEW C39H53N9O20 967.3407 NA PeJP NA NA +PJ105615 NEEEMMW C40H57N9O15S2 967.3416 NA PeJP NA NA +PJ105616 GSDDDHHW C40H49N13O16 967.3421 NA PeJP NA NA +PJ105617 CCNNNNMR C33H57N15O13S3 967.3423 NA PeJP NA NA +PJ105618 PPTCCMMW C41H61N9O10S4 967.3425 NA PeJP NA NA +PJ105619 GPCCEHHW C41H53N13O11S2 967.3429 NA PeJP NA NA +PJ105620 SSQEEEEM C36H57N9O20S 967.3441 NA PeJP NA NA +PJ105621 SDEEYYY C44H53N7O18 967.3447 NA PeJP NA NA +PJ105622 SPNEEMMM C37H61N9O15S3 967.345 NA PeJP NA NA +PJ105623 GSSSCNNNW C37H53N13O16S 967.3454 NA PeJP NA NA +PJ105624 GGGGGGGSSSCW C37H53N13O16S 967.3455 NA PeJP NA NA +PJ105625 PCEMYYY C45H57N7O13S2 967.3456 NA PeJP NA NA +PJ105626 PPCQMMMM C38H65N9O10S5 967.3458 NA PeJP NA NA +PJ105627 SPCCCNRW C38H57N13O11S3 967.3463 NA PeJP NA NA +PJ105628 ACCNWWW C46H53N11O9S2 967.3469 NA PeJP NA NA +PJ105629 GCCQWWW C46H53N11O9S2 967.347 NA PeJP NA NA +PJ105630 GSSSSSNNND C33H53N13O21 967.3479 NA PeJP NA NA +PJ105631 GGGGGGGSSSSSD C33H53N13O21 967.348 NA PeJP NA NA +PJ105632 SCNNDEMR C34H57N13O16S2 967.3488 NA PeJP NA NA +PJ105633 TEMMMYY C42H61N7O13S3 967.349 NA PeJP NA NA +PJ105634 GSSCNEWW C42H53N11O14S 967.3495 NA PeJP NA NA +PJ105635 STCCMMHR C35H61N13O11S4 967.3497 NA PeJP NA NA +PJ105636 MMMMMFF C43H65N7O8S5 967.3499 NA PeJP NA NA +PJ105637 CNMMHFW C43H57N11O9S3 967.3503 NA PeJP NA NA +PJ105638 GSSSTNDDW C38H53N11O19 967.3519 NA PeJP NA NA +PJ105639 GSSSSNDEW C38H53N11O19 967.352 NA PeJP NA NA +PJ105640 DDDMMRW C39H57N11O14S2 967.3528 NA PeJP NA NA +PJ105641 GGGGGGPCEMF C39H57N11O14S2 967.3529 NA PeJP NA NA +PJ105642 PCDDFWW C47H53N9O12S 967.3535 NA PeJP NA NA +PJ105643 PCCCKMHF C40H61N11O9S4 967.3537 NA PeJP NA NA +PJ105644 GCCQHHHF C40H53N15O10S2 967.3542 NA PeJP NA NA +PJ105645 SSDDEEMR C35H57N11O19S 967.3553 NA PeJP NA NA +PJ105646 GSPDDEYW C43H53N9O17 967.356 NA PeJP NA NA +PJ105647 SPCDEMMR C36H61N11O14S3 967.3562 NA PeJP NA NA +PJ105648 GCDDEHHR C36H53N15O15S 967.3567 NA PeJP NA NA +PJ105649 GEEMMWW C44H57N9O12S2 967.3568 NA PeJP NA NA +PJ105650 GPPCDMYW C44H57N9O12S2 967.3569 NA PeJP NA NA +PJ105651 PPCCMMMR C37H65N11O9S5 967.3571 NA PeJP NA NA +PJ105652 TCCCKHHH C37H57N15O10S3 967.3575 NA PeJP NA NA +PJ105653 PCCHHWW C45H53N13O8S2 967.3582 NA PeJP NA NA +PJ105654 GSSSSSMYY C40H57N9O17S 967.3593 NA PeJP NA NA +PJ105655 GSTEEEMW C40H57N9O17S 967.3594 NA PeJP NA NA +PJ105656 DDDFFFY C48H53N7O15 967.36 NA PeJP NA NA +PJ105657 GGGGGSSCCQR C33H57N15O15S2 967.3601 NA PeJP NA NA +PJ105658 GSPEMMMW C41H61N9O12S3 967.3602 NA PeJP NA NA +PJ105659 GCNNNNFW C41H53N13O13S 967.3607 NA PeJP NA NA +PJ105660 PCCCCQRR C34H61N15O10S4 967.3609 NA PeJP NA NA +PJ105661 GSSTTEEEE C36H57N9O22 967.3618 NA PeJP NA NA +PJ105662 ASSTTDEEE C36H57N9O22 967.3619 NA PeJP NA NA +PJ105663 GDKEEEMM C37H61N9O17S2 967.3627 NA PeJP NA NA +PJ105664 GNNDDDRY C37H53N13O18 967.3632 NA PeJP NA NA +PJ105665 AEEMYYY C45H57N7O15S 967.3634 NA PeJP NA NA +PJ105666 APQEMMMM C38H65N9O12S4 967.3636 NA PeJP NA NA +PJ105667 SCCNNNKW C38H57N13O13S2 967.364 NA PeJP NA NA +PJ105668 GSCNDMRW C38H57N13O13S2 967.3641 NA PeJP NA NA +PJ105669 DMMMFFF C46H61N7O10S3 967.3642 NA PeJP NA NA +PJ105670 GNDDHHHH C38H49N17O14 967.3645 NA PeJP NA NA +PJ105671 SSCNWWW C46H53N11O11S 967.3647 NA PeJP NA NA +PJ105672 SSSSNNNQM C34H57N13O18S 967.3665 NA PeJP NA NA +PJ105673 GSSSNDDMR C34H57N13O18S 967.3666 NA PeJP NA NA +PJ105674 SSSSNDWW C42H53N11O16 967.3672 NA PeJP NA NA +PJ105675 GNNDMMMR C35H61N13O13S3 967.3674 NA PeJP NA NA +PJ105676 GGGGGDMMMR C35H61N13O13S3 967.3675 NA PeJP NA NA +PJ105677 VMMMMYY C43H65N7O10S4 967.3676 NA PeJP NA NA +PJ105678 SNNMMWW C43H57N11O11S2 967.3681 NA PeJP NA NA +PJ105679 SSSNQEMW C39H57N11O16S 967.3706 NA PeJP NA NA +PJ105680 SPDDYWW C47H53N9O14 967.3712 NA PeJP NA NA +PJ105681 NQQMMMW C40H61N11O11S3 967.3714 NA PeJP NA NA +PJ105682 GGQQMMMW C40H61N11O11S3 967.3715 NA PeJP NA NA +PJ105683 CDDHHRW C40H53N15O12S 967.3719 NA PeJP NA NA +PJ105684 EMMWWW C48H57N9O9S2 967.3721 NA PeJP NA NA +PJ105685 SSSSSQQEE C35H57N11O21 967.3731 NA PeJP NA NA +PJ105686 SSSSTTMMH C36H61N11O16S2 967.3739 NA PeJP NA NA +PJ105687 GSEEEMMR C36H61N11O16S2 967.374 NA PeJP NA NA +PJ105688 SSDDDHHR C36H53N15O17 967.3744 NA PeJP NA NA +PJ105689 GGGGGGGSPNDH C36H53N15O17 967.3745 NA PeJP NA NA +PJ105690 STEEMWW C44H57N9O14S 967.3746 NA PeJP NA NA +PJ105691 GPDMMMMR C37H65N11O11S4 967.3748 NA PeJP NA NA +PJ105692 SPCCEHHR C37H57N15O12S2 967.3753 NA PeJP NA NA +PJ105693 SPMMMWW C45H61N9O9S3 967.3755 NA PeJP NA NA +PJ105694 ACEHHWW C45H53N13O10S 967.3759 NA PeJP NA NA +PJ105695 GDMHHWW C45H53N13O10S 967.376 NA PeJP NA NA +PJ105696 SSTTEEEW C40H57N9O19 967.3771 NA PeJP NA NA +PJ105697 SSSSCNNNR C33H57N15O17S 967.3778 NA PeJP NA NA +PJ105698 DKEEMMW C41H61N9O14S2 967.378 NA PeJP NA NA +PJ105699 GSNNNNYW C41H53N13O15 967.3784 NA PeJP NA NA +PJ105700 GGGGGSNNYW C41H53N13O15 967.3785 NA PeJP NA NA +PJ105701 PPCYYYY C49H57N7O12S 967.3786 NA PeJP NA NA +PJ105702 GCCNEMRR C34H61N15O12S3 967.3787 NA PeJP NA NA +PJ105703 AAPMMMMW C42H65N9O9S4 967.3789 NA PeJP NA NA +PJ105704 SCCQRWW C42H57N13O10S2 967.3793 NA PeJP NA NA +PJ105705 SSKEEEEM C37H61N9O19S 967.3805 NA PeJP NA NA +PJ105706 TTEEYYY C45H57N7O17 967.3811 NA PeJP NA NA +PJ105707 AVQEEMMM C38H65N9O14S3 967.3813 NA PeJP NA NA +PJ105708 GLQEEMMM C38H65N9O14S3 967.3814 NA PeJP NA NA +PJ105709 SSSCNERW C38H57N13O15S 967.3818 NA PeJP NA NA +PJ105710 GGGGGGGGGAAMY C38H57N13O15S 967.3819 NA PeJP NA NA +PJ105711 PTMMYYY C46H61N7O12S2 967.382 NA PeJP NA NA +PJ105712 PPCKMMMM C39H69N9O9S5 967.3822 NA PeJP NA NA +PJ105713 GNNEYWW C46H53N11O13 967.3825 NA PeJP NA NA +PJ105714 CNQMMRW C39H61N13O10S3 967.3827 NA PeJP NA NA +PJ105715 SPCNHHHH C39H53N17O11S 967.3832 NA PeJP NA NA +PJ105716 GCCKWWW C47H57N11O8S2 967.3833 NA PeJP NA NA +PJ105717 SSSSSNDER C34H57N13O20 967.3843 NA PeJP NA NA +PJ105718 SSNNEMMR C35H61N13O15S2 967.3852 NA PeJP NA NA +PJ105719 NNNNNNQH C35H53N17O16 967.3856 NA PeJP NA NA +PJ105720 GGGGNNNNQH C35H53N17O16 967.3857 NA PeJP NA NA +PJ105721 GSSSQMWW C43H57N11O13S 967.3858 NA PeJP NA NA +PJ105722 GGGGGSPMYW C43H57N11O13S 967.3859 NA PeJP NA NA +PJ105723 PCCCQKMR C36H65N13O10S4 967.3861 NA PeJP NA NA +PJ105724 DEFWWW C51H53N9O11 967.3865 NA PeJP NA NA +PJ105725 GGGGGCMHHR C36H57N17O11S2 967.3866 NA PeJP NA NA +PJ105726 GSSSSTQEW C39H57N11O18 967.3883 NA PeJP NA NA +PJ105727 GGEEEERY C39H57N11O18 967.3884 NA PeJP NA NA +PJ105728 SEEMMRW C40H61N11O13S2 967.3892 NA PeJP NA NA +PJ105729 SSSNNHHW C40H53N15O14 967.3897 NA PeJP NA NA +PJ105730 GPEMYWW C48H57N9O11S 967.3899 NA PeJP NA NA +PJ105731 GCCKHHHF C41H57N15O9S2 967.3906 NA PeJP NA NA +PJ105732 SSTEEEMR C36H61N11O18S 967.3917 NA PeJP NA NA +PJ105733 GSSTQYYY C44H57N9O16 967.3923 NA PeJP NA NA +PJ105734 VNEEEYW C44H57N9O16 967.3924 NA PeJP NA NA +PJ105735 AAEEMMMR C37H65N11O13S3 967.3926 NA PeJP NA NA +PJ105736 GCNNNQRY C37H57N15O14S 967.393 NA PeJP NA NA +PJ105737 GGGCNNQRY C37H57N15O14S 967.3931 NA PeJP NA NA +PJ105738 SVEMMWW C45H61N9O11S2 967.3932 NA PeJP NA NA +PJ105739 SSEHHWW C45H53N13O12 967.3937 NA PeJP NA NA +PJ105740 CCNMRRW C38H61N15O9S3 967.3939 NA PeJP NA NA +PJ105741 SSSLEEMW C41H61N9O16S 967.3957 NA PeJP NA NA +PJ105742 GGGLEEEMF C41H61N9O16S 967.3958 NA PeJP NA NA +PJ105743 APEYYYY C49H57N7O14 967.3964 NA PeJP NA NA +PJ105744 LQEMMMW C42H65N9O11S3 967.3966 NA PeJP NA NA +PJ105745 GSSSCRWW C42H57N13O12S 967.3971 NA PeJP NA NA +PJ105746 PCCCCKRR C35H65N15O9S4 967.3973 NA PeJP NA NA +PJ105747 NNYWWW C50H53N11O10 967.3977 NA PeJP NA NA +PJ105748 SSSSTLEEE C37H61N9O21 967.3982 NA PeJP NA NA +PJ105749 ATKEEEMM C38H65N9O16S2 967.3991 NA PeJP NA NA +PJ105750 GSSSSSDRW C38H57N13O17 967.3996 NA PeJP NA NA +PJ105751 SLEMYYY C46H61N7O14S 967.3997 NA PeJP NA NA +PJ105752 APKEMMMM C39H69N9O11S4 967.4 NA PeJP NA NA +PJ105753 GSSNMMRW C39H61N13O12S2 967.4004 NA PeJP NA NA +PJ105754 GGGSSMMRW C39H61N13O12S2 967.4005 NA PeJP NA NA +PJ105755 VMMMFFY C47H65N7O9S3 967.4006 NA PeJP NA NA +PJ105756 GSQEHHHH C39H53N17O13 967.4009 NA PeJP NA NA +PJ105757 GNQMFWW C47H57N11O10S 967.4011 NA PeJP NA NA +PJ105758 GSSSSQEMR C35H61N13O17S 967.4029 NA PeJP NA NA +PJ105759 GGGSSSTEMR C35H61N13O17S 967.403 NA PeJP NA NA +PJ105760 SSSSTQWW C43H57N11O15 967.4036 NA PeJP NA NA +PJ105761 DEMMMRR C36H65N13O12S3 967.4038 NA PeJP NA NA +PJ105762 SSCNQHHR C36H57N17O13S 967.4043 NA PeJP NA NA +PJ105763 SCQKMWW C44H61N11O10S2 967.4045 NA PeJP NA NA +PJ105764 NNNHHFW C44H53N15O11 967.4049 NA PeJP NA NA +PJ105765 GGGGNHHFW C44H53N15O11 967.405 NA PeJP NA NA +PJ105766 PMYWWW C52H57N9O8S 967.4051 NA PeJP NA NA +PJ105767 SSSNKEMW C40H61N11O15S 967.407 NA PeJP NA NA +PJ105768 GVEEYWW C48H57N9O13 967.4076 NA PeJP NA NA +PJ105769 VDMMMRW C41H65N11O10S3 967.4078 NA PeJP NA NA +PJ105770 GGGAKMMMW C41H65N11O10S3 967.4079 NA PeJP NA NA +PJ105771 SDMHHRW C41H57N15O11S 967.4083 NA PeJP NA NA +PJ105772 APMMFWW C49H61N9O8S2 967.4085 NA PeJP NA NA +PJ105773 SSTTTTNQE C36H61N11O20 967.4094 NA PeJP NA NA +PJ105774 SSSSSQKEE C36H61N11O20 967.4095 NA PeJP NA NA +PJ105775 ATTEEMMR C37H65N11O15S2 967.4103 NA PeJP NA NA +PJ105776 GGGGTTKEMM C37H65N11O15S2 967.4104 NA PeJP NA NA +PJ105777 SSNNNNRY C37H57N15O16 967.4108 NA PeJP NA NA +PJ105778 GGGGGGGGGGLEH C37H57N15O16 967.4109 NA PeJP NA NA +PJ105779 PDKEMYW C45H61N9O13S 967.411 NA PeJP NA NA +PJ105780 APTMMMMR C38H69N11O10S4 967.4112 NA PeJP NA NA +PJ105781 GSTCCRRW C38H61N15O11S2 967.4117 NA PeJP NA NA +PJ105782 ALMMMWW C46H65N9O8S3 967.4119 NA PeJP NA NA +PJ105783 GCNFRWW C46H57N13O9S 967.4123 NA PeJP NA NA +PJ105784 TTTTTEEW C41H61N9O18 967.4135 NA PeJP NA NA +PJ105785 GSSSSCERR C34H61N15O16S 967.4142 NA PeJP NA NA +PJ105786 GTTLEMMW C42H65N9O13S2 967.4144 NA PeJP NA NA +PJ105787 SNNERYW C42H57N13O14 967.4148 NA PeJP NA NA +PJ105788 GGGGAPTEHW C42H57N13O14 967.4149 NA PeJP NA NA +PJ105789 PCLFYYY C50H61N7O11S 967.415 NA PeJP NA NA +PJ105790 GSCQMMRR C35H65N15O11S3 967.4151 NA PeJP NA NA +PJ105791 SCCKRWW C43H61N13O9S2 967.4157 NA PeJP NA NA +PJ105792 SQHHHHW C43H53N17O10 967.4162 NA PeJP NA NA +PJ105793 TTTKEEEM C38H65N9O18S 967.4169 NA PeJP NA NA +PJ105794 GLKEEMMM C39H69N9O13S3 967.4177 NA PeJP NA NA +PJ105795 SSSSQMRW C39H61N13O14S 967.4182 NA PeJP NA NA +PJ105796 VVMMYYY C47H65N7O11S2 967.4184 NA PeJP NA NA +PJ105797 GTQQYWW C47H57N11O12 967.4188 NA PeJP NA NA +PJ105798 EERYWW C47H57N11O12 967.4189 NA PeJP NA NA +PJ105799 CNKMMRW C40H65N13O9S3 967.4191 NA PeJP NA NA +PJ105800 AAQMHHHH C40H57N17O10S 967.4196 NA PeJP NA NA +PJ105801 SSSSSTQER C35H61N13O19 967.4207 NA PeJP NA NA +PJ105802 SSNDKMMR C36H65N13O14S2 967.4216 NA PeJP NA NA +PJ105803 GSSSSNHHR C36H57N17O15 967.422 NA PeJP NA NA +PJ105804 GGGSSSSHHR C36H57N17O15 967.4221 NA PeJP NA NA +PJ105805 GSSSKMWW C44H61N11O12S 967.4222 NA PeJP NA NA +PJ105806 GGGGGAAPMFF C44H61N11O12S 967.4223 NA PeJP NA NA +PJ105807 PCCCKKMR C37H69N13O9S4 967.4225 NA PeJP NA NA +PJ105808 VEYWWW C52H57N9O10 967.4229 NA PeJP NA NA +PJ105809 GSSSSTKEW C40H61N11O17 967.4247 NA PeJP NA NA +PJ105810 GGGAASPPPEE C40H61N11O17 967.4248 NA PeJP NA NA +PJ105811 GSTQKMMW C41H65N11O12S2 967.4256 NA PeJP NA NA +PJ105812 GSPNDHRW C41H57N15O13 967.4261 NA PeJP NA NA +PJ105813 SPVMYWW C49H61N9O10S 967.4262 NA PeJP NA NA +PJ105814 GLEMFWW C49H61N9O10S 967.4263 NA PeJP NA NA +PJ105815 AMMHHRW C42H61N15O8S2 967.4269 NA PeJP NA NA +PJ105816 TTTTEEMR C37H65N11O17S 967.4281 NA PeJP NA NA +PJ105817 TLQEEYW C45H61N9O15 967.4287 NA PeJP NA NA +PJ105818 VDKEEYW C45H61N9O15 967.4288 NA PeJP NA NA +PJ105819 GTLEMMMR C38H69N11O12S3 967.429 NA PeJP NA NA +PJ105820 SSSSCRRW C38H61N15O13S 967.4294 NA PeJP NA NA +PJ105821 GGGGDMRRY C38H61N15O13S 967.4295 NA PeJP NA NA +PJ105822 TTLMMWW C46H65N9O10S2 967.4296 NA PeJP NA NA +PJ105823 GSNRYWW C46H57N13O11 967.4301 NA PeJP NA NA +PJ105824 NMHHHHR C39H57N19O9S 967.4308 NA PeJP NA NA +PJ105825 SSSSSSDRR C34H61N15O18 967.4319 NA PeJP NA NA +PJ105826 STTTLEMW C42H65N9O15S 967.4321 NA PeJP NA NA +PJ105827 SPLYYYY C50H61N7O13 967.4328 NA PeJP NA NA +PJ105828 LKEMMMW C43H69N9O10S3 967.433 NA PeJP NA NA +PJ105829 ANQMRYW C43H61N13O11S 967.4334 NA PeJP NA NA +PJ105830 GQQMRYW C43H61N13O11S 967.4335 NA PeJP NA NA +PJ105831 VMMFFFF C51H65N7O8S2 967.4336 NA PeJP NA NA +PJ105832 GQHFFFW C51H57N11O9 967.4341 NA PeJP NA NA +PJ105833 SSTTTTLEE C38H65N9O20 967.4346 NA PeJP NA NA +PJ105834 STLKEEMM C39H69N9O15S2 967.4355 NA PeJP NA NA +PJ105835 ASSSSSTRW C39H61N13O16 967.4359 NA PeJP NA NA +PJ105836 GSSSSTTRW C39H61N13O16 967.436 NA PeJP NA NA +PJ105837 SPLKMMMM C40H73N9O10S4 967.4364 NA PeJP NA NA +PJ105838 GSTCKMRW C40H65N13O11S2 967.4368 NA PeJP NA NA +PJ105839 GGGGGVMMFR C40H65N13O11S2 967.4369 NA PeJP NA NA +PJ105840 NNNQHRW C40H57N17O12 967.4373 NA PeJP NA NA +PJ105841 GNKMFWW C48H61N11O9S 967.4375 NA PeJP NA NA +PJ105842 PFFWWW C56H57N9O7 967.4381 NA PeJP NA NA +PJ105843 GSSSSKEMR C36H65N13O16S 967.4393 NA PeJP NA NA +PJ105844 SSSSTKWW C44H61N11O14 967.44 NA PeJP NA NA +PJ105845 GSQKMMMR C37H69N13O11S3 967.4402 NA PeJP NA NA +PJ105846 GPCNEHRR C37H61N17O12S 967.4407 NA PeJP NA NA +PJ105847 SCKKMWW C45H65N11O9S2 967.4408 NA PeJP NA NA +PJ105848 PCLMRYW C45H65N11O9S2 967.4409 NA PeJP NA NA +PJ105849 GEHHFRW C45H57N15O10 967.4413 NA PeJP NA NA +PJ105850 LMFWWW C53H61N9O7S 967.4415 NA PeJP NA NA +PJ105851 SSTTQKMW C41H65N11O14S 967.4433 NA PeJP NA NA +PJ105852 SSSDKKMW C41H65N11O14S 967.4434 NA PeJP NA NA +PJ105853 ATLEYWW C49H61N9O12 967.444 NA PeJP NA NA +PJ105854 TLMMMRW C42H69N11O9S3 967.4442 NA PeJP NA NA +PJ105855 GCQRRYW C42H61N15O10S 967.4447 NA PeJP NA NA +PJ105856 GVHHFWW C50H57N13O8 967.4454 NA PeJP NA NA +PJ105857 SSSSSKKEE C37H65N11O19 967.4458 NA PeJP NA NA +PJ105858 SSSSTDKKE C37H65N11O19 967.4459 NA PeJP NA NA +PJ105859 STTLEMMR C38H69N11O14S2 967.4467 NA PeJP NA NA +PJ105860 GSSNERRY C38H61N15O15 967.4472 NA PeJP NA NA +PJ105861 VLQEMYW C46H65N9O12S 967.4474 NA PeJP NA NA +PJ105862 GVLMMMMR C39H73N11O9S4 967.4476 NA PeJP NA NA +PJ105863 PTFFFFY C54H61N7O10 967.448 NA PeJP NA NA +PJ105864 NNMMFRR C39H65N15O10S2 967.4481 NA PeJP NA NA +PJ105865 GSTHHHHR C39H57N19O11 967.4485 NA PeJP NA NA +PJ105866 GGGPNHHHR C39H57N19O11 967.4486 NA PeJP NA NA +PJ105867 LMHHHFF C47H61N13O8S 967.4487 NA PeJP NA NA +PJ105868 GTLKEEEY C42H65N9O17 967.4499 NA PeJP NA NA +PJ105869 GSSSSTMRR C35H65N15O15S 967.4506 NA PeJP NA NA +PJ105870 SSTLLMMW C43H69N9O12S2 967.4507 NA PeJP NA NA +PJ105871 GPLKEMMY C43H69N9O12S2 967.4508 NA PeJP NA NA +PJ105872 SNDKRYW C43H61N13O13 967.4512 NA PeJP NA NA +PJ105873 GGGGGGGGPPLW C43H61N13O13 967.4513 NA PeJP NA NA +PJ105874 VVMFFYY C51H65N7O10S 967.4514 NA PeJP NA NA +PJ105875 VKMMHHW C44H65N13O8S2 967.4521 NA PeJP NA NA +PJ105876 SKHHHHW C44H57N17O9 967.4526 NA PeJP NA NA +PJ105877 SSSTTLLEM C39H69N9O17S 967.4532 NA PeJP NA NA +PJ105878 SVLKEMMM C40H73N9O12S3 967.4541 NA PeJP NA NA +PJ105879 SSSSKMRW C40H65N13O13S 967.4546 NA PeJP NA NA +PJ105880 GTQKYWW C48H61N11O11 967.4552 NA PeJP NA NA +PJ105881 GGGGPKFYW C48H61N11O11 967.4553 NA PeJP NA NA +PJ105882 PMMMFRR C41H69N13O8S3 967.4555 NA PeJP NA NA +PJ105883 PCNHRRW C41H61N17O9S 967.4559 NA PeJP NA NA +PJ105884 HHFRWW C49H57N15O7 967.4566 NA PeJP NA NA +PJ105885 SSSSSTKER C36H65N13O18 967.4571 NA PeJP NA NA +PJ105886 SSTQKMMR C37H69N13O13S2 967.458 NA PeJP NA NA +PJ105887 NQEEHRR C37H61N17O14 967.4584 NA PeJP NA NA +PJ105888 GGGAEEHRR C37H61N17O14 967.4585 NA PeJP NA NA +PJ105889 ALEMRYW C45H65N11O11S 967.4586 NA PeJP NA NA +PJ105890 LMMMMRR C38H73N13O8S4 967.4588 NA PeJP NA NA +PJ105891 GPLFYWW C53H61N9O9 967.4593 NA PeJP NA NA +PJ105892 SSSSSSLKW C41H65N11O16 967.4611 NA PeJP NA NA +PJ105893 GSTKKMMW C42H69N11O11S2 967.462 NA PeJP NA NA +PJ105894 SSNRRYW C42H61N15O12 967.4624 NA PeJP NA NA +PJ105895 GGSSRRYW C42H61N15O12 967.4625 NA PeJP NA NA +PJ105896 GLLMYWW C50H65N9O9S 967.4626 NA PeJP NA NA +PJ105897 GSSTTKKEM C38H69N11O16S 967.4645 NA PeJP NA NA +PJ105898 TLKEEYW C46H65N9O14 967.4651 NA PeJP NA NA +PJ105899 GGGLLEEFF C46H65N9O14 967.4652 NA PeJP NA NA +PJ105900 SSLLMMMR C39H73N11O11S3 967.4654 NA PeJP NA NA +PJ105901 SQQMRRY C39H65N15O12S 967.4658 NA PeJP NA NA +PJ105902 GGGGGAPCKKH C39H65N15O12S 967.4659 NA PeJP NA NA +PJ105903 PLKMMYW C47H69N9O9S2 967.466 NA PeJP NA NA +PJ105904 SPQKHWW C47H61N13O10 967.4665 NA PeJP NA NA +PJ105905 SSSSSTTRR C35H65N15O17 967.4683 NA PeJP NA NA +PJ105906 GVLKEEMY C43H69N9O14S 967.4685 NA PeJP NA NA +PJ105907 ALLYYYY C51H65N7O12 967.4691 NA PeJP NA NA +PJ105908 SSTCKMRR C36H69N15O12S2 967.4692 NA PeJP NA NA +PJ105909 APLKMMMF C44H73N9O9S3 967.4694 NA PeJP NA NA +PJ105910 NDDHRRR C36H61N19O13 967.4697 NA PeJP NA NA +PJ105911 GQKMRYW C44H65N13O10S 967.4698 NA PeJP NA NA +PJ105912 GGAKMRYW C44H65N13O10S 967.4699 NA PeJP NA NA +PJ105913 PPVHFWW C52H61N11O8 967.4705 NA PeJP NA NA +PJ105914 TTTTTTTLE C39H69N9O19 967.471 NA PeJP NA NA +PJ105915 SSSSLLLMM C40H73N9O14S2 967.4719 NA PeJP NA NA +PJ105916 GSTQKERY C40H65N13O15 967.4723 NA PeJP NA NA +PJ105917 GGGTTKERY C40H65N13O15 967.4724 NA PeJP NA NA +PJ105918 VVVKMMMM C41H77N9O9S4 967.4727 NA PeJP NA NA +PJ105919 ALLKMMMM C41H77N9O9S4 967.4728 NA PeJP NA NA +PJ105920 APCCKKRY C41H69N13O10S2 967.4732 NA PeJP NA NA +PJ105921 GQEHRRW C41H61N17O11 967.4737 NA PeJP NA NA +PJ105922 ACKKFWW C49H65N11O8S 967.4739 NA PeJP NA NA +PJ105923 GSSTTTKMR C37H69N13O15S 967.4757 NA PeJP NA NA +PJ105924 TTLERYW C45H65N11O13 967.4764 NA PeJP NA NA +PJ105925 GSKKMMMR C38H73N13O10S3 967.4766 NA PeJP NA NA +PJ105926 SCQRRRY C38H65N17O11S 967.4771 NA PeJP NA NA +PJ105927 VVMMFRW C46H69N11O8S2 967.4772 NA PeJP NA NA +PJ105928 GVQHRWW C46H61N15O9 967.4777 NA PeJP NA NA +PJ105929 SSTTKKMW C42H69N11O13S 967.4797 NA PeJP NA NA +PJ105930 GGGVKKEMY C42H69N11O13S 967.4798 NA PeJP NA NA +PJ105931 STLLYWW C50H65N9O11 967.4804 NA PeJP NA NA +PJ105932 GCKRRYW C43H65N15O9S 967.4811 NA PeJP NA NA +PJ105933 SSSTTTKKE C38H69N11O18 967.4822 NA PeJP NA NA +PJ105934 SSKKKEMM C39H73N11O13S2 967.4831 NA PeJP NA NA +PJ105935 GSSDKRRY C39H65N15O14 967.4836 NA PeJP NA NA +PJ105936 VLKEMYW C47H69N9O11S 967.4838 NA PeJP NA NA +PJ105937 VVFFFFY C55H65N7O9 967.4844 NA PeJP NA NA +PJ105938 CQKMFRR C40H69N15O9S2 967.4845 NA PeJP NA NA +PJ105939 PEHHHRR C40H61N19O10 967.4849 NA PeJP NA NA +PJ105940 APTTTTTLY C43H69N9O16 967.4862 NA PeJP NA NA +PJ105941 SSLLKEEY C43H69N9O16 967.4863 NA PeJP NA NA +PJ105942 SPVLKMMY C44H73N9O11S2 967.4871 NA PeJP NA NA +PJ105943 STQKRYW C44H65N13O12 967.4876 NA PeJP NA NA +PJ105944 GSPCHRRR C37H65N19O10S 967.4883 NA PeJP NA NA +PJ105945 QHRRWW C45H61N17O8 967.4889 NA PeJP NA NA +PJ105946 GAHRRWW C45H61N17O8 967.489 NA PeJP NA NA +PJ105947 STTTTTLLM C40H73N9O16S 967.4896 NA PeJP NA NA +PJ105948 TTLLKMMM C41H77N9O11S3 967.4905 NA PeJP NA NA +PJ105949 TLEMRRY C41H69N13O12S 967.491 NA PeJP NA NA +PJ105950 GTKKYWW C49H65N11O10 967.4916 NA PeJP NA NA +PJ105951 CLHHFRR C42H65N17O8S 967.4923 NA PeJP NA NA +PJ105952 SSSTTTTKR C37H69N13O17 967.4935 NA PeJP NA NA +PJ105953 SSTKKMMR C38H73N13O12S2 967.4943 NA PeJP NA NA +PJ105954 GSSCCKKKK C38H73N13O12S2 967.4944 NA PeJP NA NA +PJ105955 GSSSRRRY C38H65N17O13 967.4948 NA PeJP NA NA +PJ105956 SLLMRYW C46H69N11O10S 967.495 NA PeJP NA NA +PJ105957 GLLFFWW C54H65N9O8 967.4957 NA PeJP NA NA +PJ105958 SSTLLERY C42H69N11O15 967.4975 NA PeJP NA NA +PJ105959 AALLMMRY C43H73N11O10S2 967.4984 NA PeJP NA NA +PJ105960 PPQERRW C43H65N15O11 967.4988 NA PeJP NA NA +PJ105961 GAPPERRW C43H65N15O11 967.4989 NA PeJP NA NA +PJ105962 PLKMFFW C51H69N9O8S 967.499 NA PeJP NA NA +PJ105963 SSSSTLKKM C39H73N11O15S 967.5009 NA PeJP NA NA +PJ105964 SSSLLLYW C47H69N9O13 967.5015 NA PeJP NA NA +PJ105965 ATKKKMMM C40H77N11O10S3 967.5017 NA PeJP NA NA +PJ105966 SQKMRRY C40H69N15O11S 967.5022 NA PeJP NA NA +PJ105967 LLKMMFW C48H73N9O8S2 967.5024 NA PeJP NA NA +PJ105968 PPVQRWW C48H65N13O9 967.5029 NA PeJP NA NA +PJ105969 ATLLKEMY C44H73N9O13S 967.5049 NA PeJP NA NA +PJ105970 SQEHRRR C37H65N19O12 967.5061 NA PeJP NA NA +PJ105971 GKKMRYW C45H69N13O9S 967.5062 NA PeJP NA NA +PJ105972 GSTKKERY C41H69N13O14 967.5087 NA PeJP NA NA +PJ105973 GGPPVKEER C41H69N13O14 967.5088 NA PeJP NA NA +PJ105974 VLMMRRY C42H73N13O9S2 967.5096 NA PeJP NA NA +PJ105975 GKEHRRW C42H65N17O10 967.5101 NA PeJP NA NA +PJ105976 SKKKEYW C46H69N11O12 967.5127 NA PeJP NA NA +PJ105977 TDKKKYW C46H69N11O12 967.5128 NA PeJP NA NA +PJ105978 CCCKKKKK C39H77N13O9S3 967.513 NA PeJP NA NA +PJ105979 SCKRRRY C39H69N17O10S 967.5134 NA PeJP NA NA +PJ105980 SPPPCRRR C39H69N17O10S 967.5135 NA PeJP NA NA +PJ105981 APPRRWW C47H65N15O8 967.5141 NA PeJP NA NA +PJ105982 ATTLLMRY C43H73N11O12S 967.5161 NA PeJP NA NA +PJ105983 GGGGGPPLLLM C43H73N11O12S 967.5162 NA PeJP NA NA +PJ105984 PVLKYYW C51H69N9O10 967.5168 NA PeJP NA NA +PJ105985 LKMHHFR C44H69N15O8S 967.5175 NA PeJP NA NA +PJ105986 STTTTTTKK C39H73N11O17 967.5186 NA PeJP NA NA +PJ105987 TTTKKKMM C40H77N11O12S2 967.5195 NA PeJP NA NA +PJ105988 GSTTKRRY C40H69N15O13 967.52 NA PeJP NA NA +PJ105989 GPLLKMFY C48H73N9O10S 967.5202 NA PeJP NA NA +PJ105990 CKKMFRR C41H73N15O8S2 967.5208 NA PeJP NA NA +PJ105991 GTHRRRW C41H65N19O9 967.5213 NA PeJP NA NA +PJ105992 TTTLLKEY C44H73N9O15 967.5226 NA PeJP NA NA +PJ105993 GPPTLLLEE C44H73N9O15 967.5227 NA PeJP NA NA +PJ105994 GLLLKMMY C45H77N9O10S2 967.5235 NA PeJP NA NA +PJ105995 STKKRYW C45H69N13O11 967.524 NA PeJP NA NA +PJ105996 VNMHRRR C38H69N19O9S 967.5247 NA PeJP NA NA +PJ105997 KHRRWW C46H65N17O7 967.5253 NA PeJP NA NA +PJ105998 DKKKMRY C42H73N13O11S 967.5274 NA PeJP NA NA +PJ105999 TLLLHWW C50H69N11O9 967.528 NA PeJP NA NA +PJ106000 GPPTERRR C39H69N17O12 967.5312 NA PeJP NA NA +PJ106001 CLKKKYW C47H73N11O9S 967.5314 NA PeJP NA NA +2966 maculatin 2,1, from Litoria genimaculata GFVDFLKKVAGTIANVVTG 967.5324 MH2+ Inhouse_peptide NA peptide +PJ106002 TTTTLLRY C43H73N11O14 967.5339 NA PeJP NA NA +PJ106003 GVKKKMMF C44H77N11O9S2 967.5348 NA PeJP NA NA +PJ106004 PPKERRW C44H69N15O10 967.5352 NA PeJP NA NA +PJ106005 GMHRRRR C37H69N21O8S 967.5359 NA PeJP NA NA +PJ106006 PPTLLLEW C48H73N9O12 967.5379 NA PeJP NA NA +2848 NA YGGFLRARKSARKLANQ 967.53795 MH2+ Inhouse_peptide NA peptide +PJ106007 SKKMRRY C41H73N15O10S 967.5386 NA PeJP NA NA +PJ106008 PPVKRWW C49H69N13O8 967.5393 NA PeJP NA NA +PJ106009 STLLLKMY C45H77N9O12S 967.5413 NA PeJP NA NA +PJ106010 SKEHRRR C38H69N19O11 967.5424 NA PeJP NA NA +PJ106011 GGAAPQRRR C38H69N19O11 967.5425 NA PeJP NA NA +PJ106012 LLLMHRW C46H73N13O8S 967.5426 NA PeJP NA NA +PJ106013 SSSLKKRY C42H73N13O13 967.5451 NA PeJP NA NA +PJ106014 GGGGGGGPVLLK C42H73N13O13 967.5452 NA PeJP NA NA +PJ106015 KKKMMFR C43H77N13O8S2 967.546 NA PeJP NA NA +PJ106016 PPTRRRW C43H69N17O9 967.5465 NA PeJP NA NA +PJ106017 SSLLLLHW C47H73N11O11 967.5491 NA PeJP NA NA +PJ106018 APPLKKEW C47H73N11O11 967.5492 NA PeJP NA NA +PJ106019 GPPVMRRR C40H73N17O9S 967.5498 NA PeJP NA NA +PJ106020 GTLKKKMY C44H77N11O11S 967.5525 NA PeJP NA NA +PJ106021 VLLKFYW C52H73N9O9 967.5532 NA PeJP NA NA +PJ106022 STHRRRR C37H69N21O10 967.5537 NA PeJP NA NA +PJ106023 SPPVKERR C41H73N15O12 967.5564 NA PeJP NA NA +PJ106024 PPVLLLMW C49H77N9O9S 967.5565 NA PeJP NA NA +PJ106025 LLHHHRR C42H69N19O8 967.5577 NA PeJP NA NA +PJ106026 AAPLLLLEE C45H77N9O14 967.559 NA PeJP NA NA +PJ106027 AAPILLLEE C45H77N9O14 967.5591 NA PeJP NA NA +PJ106028 APPTLKRW C46H73N13O10 967.5604 NA PeJP NA NA +PJ106029 PPMRRRR C39H73N19O8S 967.5611 NA PeJP NA NA +PJ106030 SVLLLMHR C43H77N13O10S 967.5638 NA PeJP NA NA +PJ106031 AAPLERRR C40H73N17O11 967.5676 NA PeJP NA NA +PJ106032 STTLKKKY C44H77N11O13 967.5703 NA PeJP NA NA +PJ106033 PLLQRRW C45H73N15O9 967.5716 NA PeJP NA NA +PJ106034 PVVLLLEW C49H77N9O11 967.5743 NA PeJP NA NA +PJ106035 APPLKMRR C42H77N15O9S 967.575 NA PeJP NA NA +PJ106036 APPTLLLLM C46H81N9O11S 967.5777 NA PeJP NA NA +PJ106037 PVERRRR C39H73N19O10 967.5788 NA PeJP NA NA +PJ106038 PPTLKKER C43H77N13O12 967.5815 NA PeJP NA NA +PJ106039 PKKHFRR C44H73N17O8 967.5828 NA PeJP NA NA +PJ106040 PVVRRRW C44H73N17O8 967.5829 NA PeJP NA NA +PJ106041 SPPLLKKW C48H77N11O10 967.5855 NA PeJP NA NA +PJ106042 LKKMHRR C41H77N17O8S 967.5862 NA PeJP NA NA +PJ106043 TLLLLKMH C45H81N11O10S 967.5889 NA PeJP NA NA +PJ106044 PPTTLKRR C42H77N15O11 967.5927 NA PeJP NA NA +PJ106045 GPLLKERR C42H77N15O11 967.5928 NA PeJP NA NA +PJ106046 GPTLLLLLE C46H81N9O13 967.5954 NA PeJP NA NA +PJ106047 GPVLLKRW C47H77N13O9 967.5968 NA PeJP NA NA +PJ106048 PPVLKKMR C44H81N13O9S 967.6001 NA PeJP NA NA +PJ106049 GPTLLRRR C41H77N17O10 967.604 NA PeJP NA NA +PJ106050 PLLLQKKE C45H81N11O12 967.6067 NA PeJP NA NA +HMDB04877 Trihexosylceramide (d18:1/12:0) C48H89NO18 967.607971 NA HMDB2010 NA NA +PJ106051 PLLKRRW C46H77N15O8 967.608 NA PeJP NA NA +PJ106052 PTLLLLLW C50H81N9O10 967.6107 NA PeJP NA NA +PJ106053 GPVLLLLLM C47H85N9O10S 967.6141 NA PeJP NA NA +PJ106054 PQKKRRR C40H77N19O9 967.6152 NA PeJP NA NA +PJ106055 PVVLKKER C44H81N13O11 967.6179 NA PeJP NA NA +MJ098879 BZR-Cotoxin I C48H85N7O13 967.620535 NA MeJP NA NA +PJ106056 APLLLKKW C49H81N11O9 967.6219 NA PeJP NA NA +PJ106057 PLLLLLMR C46H85N11O9S 967.6253 NA PeJP NA NA +PJ106058 SPVLLKRR C43H81N15O10 967.6291 NA PeJP NA NA +PJ106059 AALLLLLLE C47H85N9O12 967.6318 NA PeJP NA NA +PJ106060 AALLLRRR C42H81N17O9 967.6404 NA PeJP NA NA +PJ106061 VLLLLLER C46H85N11O11 967.643 NA PeJP NA NA +PJ106062 LLLLLLDR C46H85N11O11 967.6431 NA PeJP NA NA +PJ106063 VVLLLLLW C51H85N9O9 967.6471 NA PeJP NA NA +PJ106064 VLLRRRR C41H81N19O8 967.6516 NA PeJP NA NA +PJ106065 PTLLLKKR C45H85N13O10 967.6543 NA PeJP NA NA +PJ106066 GLLLLKRR C44H85N15O9 967.6655 NA PeJP NA NA +PJ106067 GTLLLLLLL C48H89N9O11 967.6682 NA PeJP NA NA +PJ106068 LLLLLQKK C47H89N11O10 967.6794 NA PeJP NA NA +PJ106069 VVLLLKKR C46H89N13O9 967.6907 NA PeJP NA NA +PJ106070 LLLLLKKK C48H93N11O9 967.7158 NA PeJP NA NA +3114 adrenocorticotropin hormone fr,: 1-16 SYSMEHFRWGKPVGKK 967.9797 MH2+ Inhouse_peptide NA peptide +MJ098880 Amariin C41H28O28 968.07671 NA MeJP NA NA +MJ098881 Furosinin; 1-O-(3,4,5-Trihydroxybenzoyl) C41H28O28 968.07671 NA MeJP NA NA +PJ106071 CCCCCCCND C29H48N10O13S7 968.1448 NA PeJP NA NA +PJ106072 SCCCCCCNM C30H52N10O12S7 968.1812 NA PeJP NA NA +PJ106073 GSSTCCCCCC C30H52N10O14S6 968.1989 NA PeJP NA NA +PJ106074 GCCCCCCQF C34H52N10O11S6 968.2142 NA PeJP NA NA +PJ106075 SSSSSCCCCC C30H52N10O16S5 968.2167 NA PeJP NA NA +PJ106076 TCCCCCCCK C31H56N10O11S7 968.2175 NA PeJP NA NA +PJ106077 CCCCDEMY C35H52N8O14S5 968.2207 NA PeJP NA NA +PJ106078 GCCCCNDDH C32H48N12O15S4 968.2245 NA PeJP NA NA +PJ106079 GGGCCCCDDH C32H48N12O15S4 968.2246 NA PeJP NA NA +PJ106080 GSCCCCCQY C34H52N10O13S5 968.2319 NA PeJP NA NA +PJ106081 CCCCEMMF C36H56N8O11S6 968.2393 NA PeJP NA NA +PJ106082 SPCCCCCNH C33H52N12O12S5 968.2432 NA PeJP NA NA +PJ106083 SSSCCCCNY C34H52N10O15S4 968.2497 NA PeJP NA NA +PJ106084 GCCCCCCKF C35H56N10O10S6 968.2506 NA PeJP NA NA +PJ106085 PCCCCDYY C39H52N8O13S4 968.2537 NA PeJP NA NA +PJ106086 DDDDDDEM C34H48N8O23S 968.2554 NA PeJP NA NA +PJ106087 SCCCEMMY C36H56N8O13S5 968.2571 NA PeJP NA NA +PJ106088 GCCNNNDDD C32H48N12O19S2 968.2601 NA PeJP NA NA +PJ106089 GSCCCNDMH C33H52N12O14S4 968.2609 NA PeJP NA NA +PJ106090 CCDDDDHF C37H48N10O17S2 968.2641 NA PeJP NA NA +PJ106091 CCCCNNFY C38H52N10O12S4 968.2649 NA PeJP NA NA +PJ106092 GGGGCCCCFY C38H52N10O12S4 968.265 NA PeJP NA NA +PJ106093 GSCNDDDDE C33H48N10O22S 968.2666 NA PeJP NA NA +PJ106094 APCCCNDDE C34H52N10O17S3 968.2674 NA PeJP NA NA +PJ106095 GPCCNDDDM C34H52N10O17S3 968.2675 NA PeJP NA NA +PJ106096 GSCCCCCKY C35H56N10O12S5 968.2683 NA PeJP NA NA +PJ106097 CCCDDHHH C35H48N14O13S3 968.2688 NA PeJP NA NA +PJ106098 GCCDDMYY C39H52N8O15S3 968.2715 NA PeJP NA NA +PJ106099 PCCCCMFY C40H56N8O10S5 968.2723 NA PeJP NA NA +PJ106100 GCCMMMMY C37H60N8O10S6 968.2757 NA PeJP NA NA +PJ106101 SCCCCQHW C37H52N12O11S4 968.2762 NA PeJP NA NA +PJ106102 SSSCCCNEH C33H52N12O16S3 968.2787 NA PeJP NA NA +PJ106103 CCCNQMMH C34H56N12O11S5 968.2795 NA PeJP NA NA +PJ106104 GGGACCCMMH C34H56N12O11S5 968.2796 NA PeJP NA NA +PJ106105 SCNDDDDW C37H48N10O19S 968.2818 NA PeJP NA NA +PJ106106 PCCCNDEW C38H52N10O14S3 968.2827 NA PeJP NA NA +PJ106107 SSSNDDDDD C33H48N10O24 968.2843 NA PeJP NA NA +PJ106108 NNDDDDMM C34H52N10O19S2 968.2852 NA PeJP NA NA +PJ106109 SCDDMMMH C35H56N10O14S4 968.2861 NA PeJP NA NA +PJ106110 CCCEYYW C43H52N8O12S3 968.2867 NA PeJP NA NA +PJ106111 PDDDDDDY C38H48N8O22 968.2884 NA PeJP NA NA +PJ106112 SSCCDEYY C39H52N8O17S2 968.2892 NA PeJP NA NA +PJ106113 GCCCNNNNQ C32H52N14O15S3 968.2899 NA PeJP NA NA +PJ106114 GGGGGGGGGGACCC C32H52N14O15S3 968.29 NA PeJP NA NA +PJ106115 SPCCCMYY C40H56N8O12S4 968.2901 NA PeJP NA NA +PJ106116 CCCCNMHR C33H56N14O10S5 968.2908 NA PeJP NA NA +PJ106117 SDDDEEEM C35H52N8O22S 968.2917 NA PeJP NA NA +PJ106118 PDDDDMMM C36H56N8O17S3 968.2926 NA PeJP NA NA +PJ106119 STCCMMMY C37H60N8O12S5 968.2935 NA PeJP NA NA +PJ106120 GSSSCCCHW C37H52N12O13S3 968.2939 NA PeJP NA NA +PJ106121 GGGGCCCEHF C37H52N12O13S3 968.294 NA PeJP NA NA +PJ106122 CCNDDDER C33H52N12O18S2 968.2964 NA PeJP NA NA +PJ106123 GGCCDDDER C33H52N12O18S2 968.2965 NA PeJP NA NA +PJ106124 GSSCCNMMH C34H56N12O13S4 968.2973 NA PeJP NA NA +PJ106125 GPCCCDWW C42H52N10O11S3 968.298 NA PeJP NA NA +PJ106126 NNDDDDDF C37H48N10O21 968.2996 NA PeJP NA NA +PJ106127 GCNDDEMW C38H52N10O16S2 968.3005 NA PeJP NA NA +PJ106128 GPPTCCCCW C39H56N10O11S4 968.3013 NA PeJP NA NA +PJ106129 GSSNDDDEM C34H52N10O21S 968.303 NA PeJP NA NA +PJ106130 GSPCNDDMM C35H56N10O16S3 968.3038 NA PeJP NA NA +PJ106131 CNNDDDHH C35H48N14O17S 968.3043 NA PeJP NA NA +PJ106132 GCCDDFFY C43H52N8O14S2 968.3045 NA PeJP NA NA +PJ106133 GCEMMMMH C36H60N10O11S5 968.3047 NA PeJP NA NA +PJ106134 SCCDMHHH C36H52N14O12S3 968.3052 NA PeJP NA NA +PJ106135 PCCCCFFF C44H56N8O9S4 968.3054 NA PeJP NA NA +PJ106136 PDDDDDMF C39H52N8O19S 968.307 NA PeJP NA NA +PJ106137 SSCCNNNNN C32H52N14O17S2 968.3077 NA PeJP NA NA +PJ106138 GSCDMMYY C40H56N8O14S3 968.3078 NA PeJP NA NA +PJ106139 GSTCCCCHR C33H56N14O12S4 968.3085 NA PeJP NA NA +PJ106140 GGGPCCCCNR C33H56N14O12S4 968.3086 NA PeJP NA NA +PJ106141 GCCMMMFF C41H60N8O9S5 968.3087 NA PeJP NA NA +PJ106142 GCCCNHFW C41H52N12O10S3 968.3092 NA PeJP NA NA +C16244 Cobalt-precorrin 7 C45H57CoN4O16 968.3102 NA KEGG NA NA +PJ106143 GDEEEEMM C36H56N8O19S2 968.3104 NA PeJP NA NA +PJ106144 SDDDDEHH C36H48N12O20 968.3108 NA PeJP NA NA +PJ106145 GCCDDDRW C37H52N12O15S2 968.3117 NA PeJP NA NA +PJ106146 SCCCCKHW C38H56N12O10S4 968.3126 NA PeJP NA NA +PJ106147 GSSCDDDDR C33H52N12O20S 968.3142 NA PeJP NA NA +PJ106148 GSPCCCDER C34H56N12O15S3 968.3151 NA PeJP NA NA +PJ106149 CNDDMWW C42H52N10O13S2 968.3157 NA PeJP NA NA +PJ106150 GPPCCCCMR C35H60N12O10S5 968.3159 NA PeJP NA NA +PJ106151 SSNDDDMW C38H52N10O18S 968.3182 NA PeJP NA NA +PJ106152 SPCCNEMW C39H56N10O13S3 968.3191 NA PeJP NA NA +PJ106153 CMMMMHW C40H60N10O8S5 968.32 NA PeJP NA NA +PJ106154 SSSSNDDEE C34H52N10O23 968.3207 NA PeJP NA NA +PJ106155 SNNDEEMM C35H56N10O18S2 968.3216 NA PeJP NA NA +PJ106156 CNDEYYY C43H52N8O16S 968.3222 NA PeJP NA NA +PJ106157 SSDMMMMH C36H60N10O13S4 968.3225 NA PeJP NA NA +PJ106158 GSPCCNDHH C36H52N14O14S2 968.3229 NA PeJP NA NA +PJ106159 TCCMYYW C44H56N8O11S3 968.3231 NA PeJP NA NA +PJ106160 ACCMMHHH C37H56N14O9S4 968.3238 NA PeJP NA NA +PJ106161 SPDDDEEY C39H52N8O21 968.3247 NA PeJP NA NA +PJ106162 GDDEEEEF C39H52N8O21 968.3248 NA PeJP NA NA +PJ106163 DEEEMMW C40H56N8O16S2 968.3256 NA PeJP NA NA +PJ106164 SSSSCCCHR C33H56N14O14S3 968.3263 NA PeJP NA NA +PJ106165 CQMMMYY C41H60N8O11S4 968.3265 NA PeJP NA NA +PJ106166 GSCCNNWW C41H52N12O12S2 968.3269 NA PeJP NA NA +PJ106167 GGGSCCNWW C41H52N12O12S2 968.327 NA PeJP NA NA +PJ106168 SSEEEEEM C36H56N8O21S 968.3281 NA PeJP NA NA +PJ106169 SPDEEMMM C37H60N8O16S3 968.329 NA PeJP NA NA +PJ106170 GSSSCNNDW C37H52N12O17S 968.3294 NA PeJP NA NA +PJ106171 GGGSSSCNDW C37H52N12O17S 968.3295 NA PeJP NA NA +PJ106172 PPCEMMMM C38H64N8O11S5 968.3299 NA PeJP NA NA +PJ106173 SPCCCDRW C38H56N12O12S3 968.3303 NA PeJP NA NA +PJ106174 GCCEWWW C46H52N10O10S2 968.331 NA PeJP NA NA +PJ106175 GSSSSSNNDD C33H52N12O22 968.3319 NA PeJP NA NA +PJ106176 GGGSSSSSNDD C33H52N12O22 968.332 NA PeJP NA NA +PJ106177 SCNDDEMR C34H56N12O17S2 968.3328 NA PeJP NA NA +PJ106178 GSSCDEWW C42H52N10O15S 968.3335 NA PeJP NA NA +PJ106179 PCCNDMMR C35H60N12O12S4 968.3337 NA PeJP NA NA +PJ106180 CCNNNQHH C35H52N16O13S2 968.3342 NA PeJP NA NA +PJ106181 GSPCCMWW C43H56N10O10S3 968.3343 NA PeJP NA NA +PJ106182 GGPPCCCFW C43H56N10O10S3 968.3344 NA PeJP NA NA +PJ106183 GSSSSDDEW C38H52N10O20 968.336 NA PeJP NA NA +PJ106184 GSNDEMMW C39H56N10O15S2 968.3368 NA PeJP NA NA +PJ106185 GGGSDEMMW C39H56N10O15S2 968.3369 NA PeJP NA NA +PJ106186 GCDYYYW C47H52N8O13S 968.3375 NA PeJP NA NA +PJ106187 GPCNMMMW C40H60N10O10S4 968.3377 NA PeJP NA NA +PJ106188 GCCEHHHF C40H52N14O11S2 968.3382 NA PeJP NA NA +PJ106189 GSSSNEEEM C35H56N10O20S 968.3393 NA PeJP NA NA +PJ106190 GGGSSSEEEM C35H56N10O20S 968.3394 NA PeJP NA NA +PJ106191 DDEEEFW C43H52N8O18 968.34 NA PeJP NA NA +PJ106192 GNQEEMMM C36H60N10O15S3 968.3402 NA PeJP NA NA +PJ106193 CNNNNNNY C36H52N14O16S 968.3407 NA PeJP NA NA +PJ106194 GPTCCYYY C44H56N8O13S2 968.3409 NA PeJP NA NA +PJ106195 GTMMMMMH C37H64N10O10S5 968.3411 NA PeJP NA NA +PJ106196 GCCCNQRW C37H56N14O11S3 968.3416 NA PeJP NA NA +PJ106197 GPDEEEMY C40H56N8O18S 968.3434 NA PeJP NA NA +PJ106198 SCCDDDRR C33H56N14O16S2 968.3441 NA PeJP NA NA +PJ106199 GSSMMMYY C41H60N8O13S3 968.3442 NA PeJP NA NA +PJ106200 GCNNNDFW C41H52N12O14S 968.3447 NA PeJP NA NA +PJ106201 PCCCCERR C34H60N14O11S4 968.3449 NA PeJP NA NA +PJ106202 CCWWWW C50H52N10O7S2 968.3462 NA PeJP NA NA +PJ106203 ATEEEEMM C37H60N8O18S2 968.3467 NA PeJP NA NA +PJ106204 GNDDDDRY C37H52N12O19 968.3472 NA PeJP NA NA +PJ106205 APEEMMMM C38H64N8O13S4 968.3476 NA PeJP NA NA +PJ106206 GSCDDMRW C38H56N12O14S2 968.3481 NA PeJP NA NA +PJ106207 GDDDHHHH C38H48N16O15 968.3486 NA PeJP NA NA +PJ106208 SSCDWWW C46H52N10O12S 968.3487 NA PeJP NA NA +PJ106209 APCCCMRW C39H60N12O9S4 968.349 NA PeJP NA NA +PJ106210 GSSSDDDMR C34H56N12O19S 968.3506 NA PeJP NA NA +PJ106211 SSSSDDWW C42H52N10O17 968.3512 NA PeJP NA NA +PJ106212 VCCNDEMR C35H60N12O14S3 968.3514 NA PeJP NA NA +PJ106213 GNDDMMMR C35H60N12O14S3 968.3515 NA PeJP NA NA +PJ106214 GSSCNNNHH C35H52N16O15S 968.3519 NA PeJP NA NA +PJ106215 SNDMMWW C43H56N10O12S2 968.3521 NA PeJP NA NA +PJ106216 PCCCNHHR C36H56N16O10S3 968.3528 NA PeJP NA NA +PJ106217 CCHHHFW C44H52N14O8S2 968.3534 NA PeJP NA NA +PJ106218 SSSNEEMW C39H56N10O17S 968.3546 NA PeJP NA NA +PJ106219 NQEMMMW C40H60N10O12S3 968.3555 NA PeJP NA NA +PJ106220 GSCNEHHW C40H52N14O13S 968.3559 NA PeJP NA NA +PJ106221 GGGSCEHHW C40H52N14O13S 968.356 NA PeJP NA NA +PJ106222 GCMFYYW C48H56N8O10S2 968.3561 NA PeJP NA NA +PJ106223 SSSSSQEEE C35H56N10O22 968.3571 NA PeJP NA NA +PJ106224 SSQQEEMM C36H60N10O17S2 968.358 NA PeJP NA NA +PJ106225 GSSSNDEHH C36H52N14O18 968.3584 NA PeJP NA NA +PJ106226 GGGSSSDEHH C36H52N14O18 968.3585 NA PeJP NA NA +PJ106227 PDEEMYW C44H56N8O15S 968.3586 NA PeJP NA NA +PJ106228 STTMMMMH C37H64N10O12S4 968.3588 NA PeJP NA NA +PJ106229 GGGGPTMMMM C37H64N10O12S4 968.3589 NA PeJP NA NA +PJ106230 SSCCNNRW C37H56N14O13S2 968.3593 NA PeJP NA NA +PJ106231 CQMMFFY C45H60N8O10S3 968.3595 NA PeJP NA NA +PJ106232 AAEEEEEY C40H56N8O20 968.3611 NA PeJP NA NA +PJ106233 SSSSCNNDR C33H56N14O18S 968.3618 NA PeJP NA NA +PJ106234 SSSTMMYY C41H60N8O15S2 968.362 NA PeJP NA NA +PJ106235 GSNNNDYW C41H52N12O16 968.3625 NA PeJP NA NA +PJ106236 GCCDEMRR C34H60N14O13S3 968.3627 NA PeJP NA NA +PJ106237 CKMMMYY C42H64N8O10S4 968.3628 NA PeJP NA NA +PJ106238 PPPCMMMY C42H64N8O10S4 968.3629 NA PeJP NA NA +PJ106239 SCCERWW C42H56N12O11S2 968.3633 NA PeJP NA NA +PJ106240 GGGGGCMHFF C42H56N12O11S2 968.3634 NA PeJP NA NA +PJ106241 TTTEEEEM C37H60N8O20S 968.3645 NA PeJP NA NA +PJ106242 GLEEEMMM C38H64N8O15S3 968.3654 NA PeJP NA NA +PJ106243 SSSCDERW C38H56N12O16S 968.3658 NA PeJP NA NA +PJ106244 GGGGGGGQEMY C38H56N12O16S 968.3659 NA PeJP NA NA +PJ106245 PPTMMMMM C39H68N8O10S5 968.3662 NA PeJP NA NA +PJ106246 GNDEYWW C46H52N10O14 968.3665 NA PeJP NA NA +PJ106247 CNEMMRW C39H60N12O11S3 968.3667 NA PeJP NA NA +PJ106248 SPCDHHHH C39H52N16O12S 968.3672 NA PeJP NA NA +PJ106249 ASCMWWW C47H56N10O9S2 968.3673 NA PeJP NA NA +PJ106250 GTCMWWW C47H56N10O9S2 968.3674 NA PeJP NA NA +PJ106251 SSSSSDDER C34H56N12O21 968.3683 NA PeJP NA NA +PJ106252 SSNDEMMR C35H60N12O16S2 968.3692 NA PeJP NA NA +PJ106253 NNNNNNEH C35H52N16O17 968.3697 NA PeJP NA NA +PJ106254 SCDRYYY C43H56N10O14S 968.3698 NA PeJP NA NA +PJ106255 GSSSEMWW C43H56N10O14S 968.3699 NA PeJP NA NA +PJ106256 SPCNMMMR C36H64N12O11S4 968.3701 NA PeJP NA NA +PJ106257 CCNNNKHH C36H56N16O12S2 968.3705 NA PeJP NA NA +PJ106258 GCNDMHHR C36H56N16O12S2 968.3706 NA PeJP NA NA +PJ106259 GQMMMWW C44H60N10O9S3 968.3707 NA PeJP NA NA +PJ106260 SCNHHWW C44H52N14O10S 968.3712 NA PeJP NA NA +PJ106261 ASSSSSEEW C39H56N10O19 968.3723 NA PeJP NA NA +PJ106262 GSSSSTEEW C39H56N10O19 968.3724 NA PeJP NA NA +PJ106263 GSTQEMMW C40H60N10O14S2 968.3732 NA PeJP NA NA +PJ106264 SSSNDHHW C40H52N14O15 968.3737 NA PeJP NA NA +PJ106265 GSMYYYW C48H56N8O12S 968.3739 NA PeJP NA NA +PJ106266 APCCKMMW C41H64N10O9S4 968.3741 NA PeJP NA NA +PJ106267 NNMMHHW C41H56N14O10S2 968.3746 NA PeJP NA NA +PJ106268 GSSSDKEEM C36H60N10O19S 968.3757 NA PeJP NA NA +PJ106269 VDEEEYW C44H56N8O17 968.3764 NA PeJP NA NA +PJ106270 GNKEEMMM C37H64N10O14S3 968.3766 NA PeJP NA NA +PJ106271 GCNNNERY C37H56N14O15S 968.3771 NA PeJP NA NA +PJ106272 PEEMMFW C45H60N8O12S2 968.3772 NA PeJP NA NA +PJ106273 PPPCDMFY C45H60N8O12S2 968.3773 NA PeJP NA NA +PJ106274 PNDDHWW C45H52N12O13 968.3777 NA PeJP NA NA +PJ106275 CCDMRRW C38H60N14O10S3 968.3779 NA PeJP NA NA +PJ106276 GGGCCCKRW C38H60N14O10S3 968.378 NA PeJP NA NA +PJ106277 GCNQHHHH C38H52N18O11S 968.3784 NA PeJP NA NA +PJ106278 APTEEEMY C41H60N8O17S 968.3798 NA PeJP NA NA +PJ106279 SSCDDMRR C34H60N14O15S2 968.3804 NA PeJP NA NA +PJ106280 GGGGGSSTCMR C34H60N14O15S2 968.3805 NA PeJP NA NA +PJ106281 LEEMMMW C42H64N8O12S3 968.3806 NA PeJP NA NA +PJ106282 NNNQMYW C42H56N12O13S 968.3811 NA PeJP NA NA +PJ106283 PTCCCMRR C35H64N14O10S4 968.3813 NA PeJP NA NA +PJ106284 NDYWWW C50H52N10O11 968.3817 NA PeJP NA NA +PJ106285 GCMMRWW C43H60N12O8S3 968.382 NA PeJP NA NA +PJ106286 STLEEEMM C38H64N8O17S2 968.3831 NA PeJP NA NA +PJ106287 SSSSSSNQW C38H56N12O18 968.3836 NA PeJP NA NA +PJ106288 SPLEMMMM C39H68N8O12S4 968.384 NA PeJP NA NA +PJ106289 GSSDMMRW C39H60N12O13S2 968.3845 NA PeJP NA NA +PJ106290 GNNNNNHW C39H52N16O14 968.3849 NA PeJP NA NA +PJ106291 GGGGGGGNNHW C39H52N16O14 968.385 NA PeJP NA NA +PJ106292 SSSMWWW C47H56N10O11S 968.3851 NA PeJP NA NA +PJ106293 CCQHHRW C40H56N16O9S2 968.3858 NA PeJP NA NA +PJ106294 SSSSSQQQM C35H60N12O18S 968.3869 NA PeJP NA NA +PJ106295 GSSSSEEMR C35H60N12O18S 968.387 NA PeJP NA NA +PJ106296 SSSSTEWW C43H56N10O16 968.3876 NA PeJP NA NA +PJ106297 GSQEMMMR C36H64N12O13S3 968.3878 NA PeJP NA NA +PJ106298 GGGGGGSKMMM C36H64N12O13S3 968.3879 NA PeJP NA NA +PJ106299 SSCNEHHR C36H56N16O14S 968.3883 NA PeJP NA NA +PJ106300 STQMMWW C44H60N10O11S2 968.3885 NA PeJP NA NA +PJ106301 NNDHHFW C44H52N14O12 968.389 NA PeJP NA NA +PJ106302 GCFFFYW C52H56N8O9S 968.3891 NA PeJP NA NA +PJ106303 SSSDKEMW C40H60N10O16S 968.391 NA PeJP NA NA +PJ106304 SSTYYYW C48H56N8O14 968.3916 NA PeJP NA NA +PJ106305 GSSSCCNRR C33H60N16O14S2 968.3917 NA PeJP NA NA +PJ106306 NKEMMMW C41H64N10O11S3 968.3919 NA PeJP NA NA +PJ106307 CNNNRYW C41H56N14O12S 968.3923 NA PeJP NA NA +PJ106308 GGGGGGGPMHW C41H56N14O12S 968.3924 NA PeJP NA NA +PJ106309 CQMFFFF C49H60N8O9S2 968.3925 NA PeJP NA NA +PJ106310 SSSSSKEEE C36H60N10O21 968.3935 NA PeJP NA NA +PJ106311 TTTQQEMM C37H64N10O16S2 968.3943 NA PeJP NA NA +PJ106312 SSQKEEMM C37H64N10O16S2 968.3944 NA PeJP NA NA +PJ106313 SSNNNDRY C37H56N14O17 968.3948 NA PeJP NA NA +PJ106314 GGGGGGVNEEH C37H56N14O17 968.3949 NA PeJP NA NA +PJ106315 VEEEMFW C45H60N8O14S 968.395 NA PeJP NA NA +PJ106316 SPNKMMMM C38H68N10O11S4 968.3952 NA PeJP NA NA +PJ106317 GPCCDRRY C38H60N14O12S2 968.3957 NA PeJP NA NA +PJ106318 CKMMFFY C46H64N8O9S3 968.3959 NA PeJP NA NA +PJ106319 SSNNHHHH C38H52N18O13 968.3962 NA PeJP NA NA +PJ106320 GCDFRWW C46H56N12O10S 968.3964 NA PeJP NA NA +PJ106321 GTLEEEEY C41H60N8O19 968.3975 NA PeJP NA NA +PJ106322 SSSSSNNMR C34H60N14O17S 968.3982 NA PeJP NA NA +PJ106323 GPLEEMMY C42H64N8O14S2 968.3984 NA PeJP NA NA +PJ106324 SNDERYW C42H56N12O15 968.3988 NA PeJP NA NA +PJ106325 GGSDERYW C42H56N12O15 968.3989 NA PeJP NA NA +PJ106326 GSCEMMRR C35H64N14O12S3 968.3991 NA PeJP NA NA +PJ106327 PPCLMMMF C43H68N8O9S4 968.3993 NA PeJP NA NA +PJ106328 STCMRWW C43H60N12O10S2 968.3997 NA PeJP NA NA +PJ106329 SEHHHHW C43H52N16O11 968.4002 NA PeJP NA NA +PJ106330 NMFWWW C51H56N10O8S 968.4004 NA PeJP NA NA +PJ106331 SVLEEMMM C39H68N8O14S3 968.4017 NA PeJP NA NA +PJ106332 VVTEEMMM C39H68N8O14S3 968.4018 NA PeJP NA NA +PJ106333 SSSSEMRW C39H60N12O15S 968.4022 NA PeJP NA NA +PJ106334 GGGGGGGPPPEM C39H60N12O15S 968.4023 NA PeJP NA NA +PJ106335 PVVMMMMM C40H72N8O9S5 968.4026 NA PeJP NA NA +PJ106336 GTQEYWW C47H56N10O13 968.4029 NA PeJP NA NA +PJ106337 SQMMMRW C40H64N12O10S3 968.4031 NA PeJP NA NA +PJ106338 GSSCHHRW C40H56N16O11S 968.4036 NA PeJP NA NA +PJ106339 PCCKFWW C48H60N10O8S2 968.4037 NA PeJP NA NA +MJ098882 Castanopsinin Aa C50H64O19 968.404179 NA MeJP NA NA +MJ098883 Castanopsinin Ab C50H64O19 968.404179 NA MeJP NA NA +MJ098884 Castanopsinin CA C50H64O19 968.404179 NA MeJP NA NA +MJ098885 Castanopsinin Cb C50H64O19 968.404179 NA MeJP NA NA +PJ106340 SSSSSTEER C35H60N12O20 968.4047 NA PeJP NA NA +PJ106341 SSTQEMMR C36H64N12O15S2 968.4056 NA PeJP NA NA +PJ106342 SNNNQQQH C36H56N16O16 968.406 NA PeJP NA NA +PJ106343 GSSSSDHHR C36H56N16O16 968.4061 NA PeJP NA NA +PJ106344 GSTTTMWW C44H60N10O13S 968.4062 NA PeJP NA NA +PJ106345 GGGGLEMYW C44H60N10O13S 968.4063 NA PeJP NA NA +PJ106346 AAQMMMMR C37H68N12O10S4 968.4065 NA PeJP NA NA +PJ106347 QFYYYW C52H56N8O11 968.4069 NA PeJP NA NA +PJ106348 GGGGGCCFRR C37H60N16O11S2 968.407 NA PeJP NA NA +PJ106349 GKMMMWW C45H64N10O8S3 968.4071 NA PeJP NA NA +PJ106350 NMHHHFF C45H56N14O9S 968.4076 NA PeJP NA NA +PJ106351 SSSSSSLEW C40H60N10O18 968.4087 NA PeJP NA NA +PJ106352 GGGTKEEEY C40H60N10O18 968.4088 NA PeJP NA NA +PJ106353 GSTKEMMW C41H64N10O13S2 968.4096 NA PeJP NA NA +PJ106354 GSPDDHRW C41H56N14O14 968.4101 NA PeJP NA NA +PJ106355 AQMFFYY C49H60N8O11S 968.4102 NA PeJP NA NA +PJ106356 PPEMFYW C49H60N8O11S 968.4103 NA PeJP NA NA +PJ106357 APPCCHRW C42H60N14O9S2 968.411 NA PeJP NA NA +PJ106358 GSSTTKEEM C37H64N10O18S 968.4121 NA PeJP NA NA +PJ106359 SSSSLYYY C45H60N8O16 968.4127 NA PeJP NA NA +PJ106360 TLEEEYW C45H60N8O16 968.4128 NA PeJP NA NA +PJ106361 GDKKEMMM C38H68N10O13S3 968.413 NA PeJP NA NA +PJ106362 GSNNQMRY C38H60N14O14S 968.4134 NA PeJP NA NA +PJ106363 NDDMRRY C38H60N14O14S 968.4135 NA PeJP NA NA +PJ106364 PLEMMYW C46H64N8O11S2 968.4136 NA PeJP NA NA +PJ106365 GSDRYWW C46H56N12O12 968.4141 NA PeJP NA NA +PJ106366 SCMMRRW C39H64N14O9S3 968.4143 NA PeJP NA NA +PJ106367 DMHHHHR C39H56N18O10S 968.4148 NA PeJP NA NA +PJ106368 GSSSSSSSQR C34H60N14O19 968.4159 NA PeJP NA NA +PJ106369 GGGSSSSSSTR C34H60N14O19 968.416 NA PeJP NA NA +PJ106370 GVLEEEMY C42H64N8O16S 968.4161 NA PeJP NA NA +PJ106371 SSSDMMRR C35H64N14O14S2 968.4168 NA PeJP NA NA +PJ106372 SPPLMMMY C43H68N8O11S3 968.417 NA PeJP NA NA +PJ106373 SNNNNNHR C35H56N18O15 968.4173 NA PeJP NA NA +PJ106374 GQEMRYW C43H60N12O12S 968.4175 NA PeJP NA NA +PJ106375 NMMMMRR C36H68N14O9S4 968.4177 NA PeJP NA NA +PJ106376 TQYWWW C51H56N10O10 968.4181 NA PeJP NA NA +PJ106377 GTCCHHRR C36H60N18O10S2 968.4182 NA PeJP NA NA +PJ106378 CLHHHHW C44H56N16O8S 968.4188 NA PeJP NA NA +MJ098886 Mahagonin C54H64O16 968.419436 NA MeJP NA NA +PJ106379 SSSSSSNKW C39H60N12O17 968.42 NA PeJP NA NA +PJ106380 ALLEMMMM C40H72N8O11S4 968.4204 NA PeJP NA NA +PJ106381 GSTTMMRW C40H64N12O12S2 968.4208 NA PeJP NA NA +PJ106382 GGSTCCKKW C40H64N12O12S2 968.4209 NA PeJP NA NA +PJ106383 NNNEHRW C40H56N16O13 968.4213 NA PeJP NA NA +PJ106384 GVQMYWW C48H60N10O10S 968.4215 NA PeJP NA NA +PJ106385 CCKHHRW C41H60N16O8S2 968.4222 NA PeJP NA NA +PJ106386 QHHHHHH C41H52N20O9 968.4227 NA PeJP NA NA +PJ106387 GSSTTTEMR C36H64N12O17S 968.4233 NA PeJP NA NA +PJ106388 GGGGSSSTTKM C36H64N12O17S 968.4234 NA PeJP NA NA +PJ106389 SSTTTTWW C44H60N10O15 968.424 NA PeJP NA NA +PJ106390 GSKEMMMR C37H68N12O12S3 968.4242 NA PeJP NA NA +PJ106391 GSCNNRRY C37H60N16O13S 968.4247 NA PeJP NA NA +MJ098887 Kororamide C45H64N10O10S2 968.424829 NA MeJP NA NA +PJ106392 STKMMWW C45H64N10O10S2 968.4249 NA PeJP NA NA +PJ106393 GQQQHWW C45H56N14O11 968.4253 NA PeJP NA NA +PJ106394 GGGAAQHWW C45H56N14O11 968.4254 NA PeJP NA NA +PJ106395 SSTTKEMW C41H64N10O15S 968.4274 NA PeJP NA NA +PJ106396 PVEEFYW C49H60N8O13 968.428 NA PeJP NA NA +PJ106397 DKKMMMW C42H68N10O10S3 968.4282 NA PeJP NA NA +PJ106398 GGAPKMMMF C42H68N10O10S3 968.4283 NA PeJP NA NA +PJ106399 GCERRYW C42H60N14O11S 968.4287 NA PeJP NA NA +PJ106400 CKMFFFF C50H64N8O8S2 968.4289 NA PeJP NA NA +PJ106401 GPTHWWW C50H56N12O9 968.4294 NA PeJP NA NA +PJ106402 STTTTTTQE C37H64N10O20 968.4298 NA PeJP NA NA +PJ106403 SSSTTTKEE C37H64N10O20 968.4299 NA PeJP NA NA +PJ106404 SSKKEEMM C38H68N10O15S2 968.4307 NA PeJP NA NA +PJ106405 GSSDERRY C38H60N14O16 968.4312 NA PeJP NA NA +PJ106406 GGGGGGGGGPPDK C38H60N14O16 968.4313 NA PeJP NA NA +PJ106407 VLEEMYW C46H64N8O13S 968.4314 NA PeJP NA NA +PJ106408 GLQKMMMM C39H72N10O10S4 968.4316 NA PeJP NA NA +PJ106409 GSPCMRRY C39H64N14O11S2 968.4321 NA PeJP NA NA +PJ106410 GPNDHHHR C39H56N18O12 968.4326 NA PeJP NA NA +PJ106411 QMRYWW C47H60N12O9S 968.4327 NA PeJP NA NA +PJ106412 HFFFWW C55H56N10O7 968.4334 NA PeJP NA NA +PJ106413 SSLLEEEY C42H64N8O18 968.4339 NA PeJP NA NA +PJ106414 SSSSSCQKR C35H64N14O16S 968.4346 NA PeJP NA NA +PJ106415 SPVLEMMY C43H68N8O13S2 968.4348 NA PeJP NA NA +PJ106416 STQERYW C43H60N12O14 968.4352 NA PeJP NA NA +PJ106417 GGAALEEHW C43H60N12O14 968.4353 NA PeJP NA NA +PJ106418 GSTMMMRR C36H68N14O11S3 968.4355 NA PeJP NA NA +PJ106419 SSSCHHRR C36H60N18O12S 968.4359 NA PeJP NA NA +PJ106420 AQMMFRW C44H64N12O9S2 968.4361 NA PeJP NA NA +PJ106421 GNNHRWW C44H56N16O10 968.4366 NA PeJP NA NA +PJ106422 TTLLEMMM C40H72N8O13S3 968.4381 NA PeJP NA NA +PJ106423 SSTTTMRW C40H64N12O14S 968.4386 NA PeJP NA NA +PJ106424 GTKEYWW C48H60N10O12 968.4392 NA PeJP NA NA +PJ106425 GGSTLYWW C48H60N10O12 968.4393 NA PeJP NA NA +PJ106426 SKMMMRW C41H68N12O9S3 968.4395 NA PeJP NA NA +PJ106427 NQMHHFR C41H60N16O10S 968.4399 NA PeJP NA NA +PJ106428 PCDHRRW C41H60N16O10S 968.44 NA PeJP NA NA +PJ106429 SSSTTTTER C36H64N12O19 968.4411 NA PeJP NA NA +PJ106430 SSTKEMMR C37H68N12O14S2 968.442 NA PeJP NA NA +PJ106431 NEEEHRR C37H60N16O15 968.4424 NA PeJP NA NA +PJ106432 GGEEEHRR C37H60N16O15 968.4425 NA PeJP NA NA +PJ106433 VNKEMYW C45H64N10O12S 968.4426 NA PeJP NA NA +HMDB10033 PIP2(16:0/16:1(9Z)) C41H79O19P3 968.44281 NA HMDB2010 NA NA +HMDB10051 PIP2(16:1(9Z)/16:0) C41H79O19P3 968.44281 NA HMDB2010 NA NA +PJ106434 AAKMMMMR C38H72N12O9S4 968.4429 NA PeJP NA NA +PJ106435 KFYYYW C53H60N8O10 968.4433 NA PeJP NA NA +PJ106436 CRRYWW C46H60N14O8S 968.444 NA PeJP NA NA +PJ106437 SSSSTTTLW C41H64N10O17 968.4451 NA PeJP NA NA +PJ106438 GGAAPPLEEE C41H64N10O17 968.4452 NA PeJP NA NA +PJ106439 SSSLKMMW C42H68N10O12S2 968.446 NA PeJP NA NA +PJ106440 SSDRRYW C42H60N14O13 968.4465 NA PeJP NA NA +PJ106441 PPLMYYW C50H64N8O10S 968.4466 NA PeJP NA NA +PJ106442 PLEMFFW C50H64N8O10S 968.4467 NA PeJP NA NA +PJ106443 ACMFRRW C43H64N14O8S2 968.4473 NA PeJP NA NA +PJ106444 APPHHHHH C43H56N18O9 968.4478 NA PeJP NA NA +PJ106445 SSSSTLKEM C38H68N10O17S 968.4485 NA PeJP NA NA +PJ106446 SPPTLEYY C46H64N8O15 968.4491 NA PeJP NA NA +PJ106447 GPVLEEYY C46H64N8O15 968.4492 NA PeJP NA NA +PJ106448 ATKKEMMM C39H72N10O12S3 968.4494 NA PeJP NA NA +PJ106449 SQEMRRY C39H64N14O13S 968.4498 NA PeJP NA NA +PJ106450 GGGGGSKMRY C39H64N14O13S 968.4499 NA PeJP NA NA +PJ106451 LLEMMFW C47H68N8O10S2 968.45 NA PeJP NA NA +PJ106452 GTTRYWW C47H60N12O11 968.4505 NA PeJP NA NA +PJ106453 CNHHFRR C40H60N18O9S 968.4512 NA PeJP NA NA +PJ106454 GSSSSSSSKR C35H64N14O18 968.4523 NA PeJP NA NA +PJ106455 ATLLEEMY C43H68N8O15S 968.4525 NA PeJP NA NA +PJ106456 SSTTMMRR C36H68N14O13S2 968.4532 NA PeJP NA NA +PJ106457 APLLMMMY C44H72N8O10S3 968.4534 NA PeJP NA NA +PJ106458 DDDHRRR C36H60N18O14 968.4537 NA PeJP NA NA +PJ106459 SVQMRYW C44H64N12O11S 968.4538 NA PeJP NA NA +PJ106460 GKEMRYW C44H64N12O11S 968.4539 NA PeJP NA NA +PJ106461 TKYWWW C52H60N10O9 968.4545 NA PeJP NA NA +PJ106462 SSTQQQKY C40H64N12O16 968.4563 NA PeJP NA NA +PJ106463 GSTKEERY C40H64N12O16 968.4564 NA PeJP NA NA +PJ106464 SLLLMMMM C41H76N8O10S4 968.4568 NA PeJP NA NA +PJ106465 SSCCKKKW C41H68N12O11S2 968.4572 NA PeJP NA NA +PJ106466 GGGGGKKMMF C41H68N12O11S2 968.4573 NA PeJP NA NA +PJ106467 GEEHRRW C41H60N16O12 968.4577 NA PeJP NA NA +PJ106468 GVKMYWW C49H64N10O9S 968.4579 NA PeJP NA NA +PJ106469 KHHHHHH C42H56N20O8 968.4591 NA PeJP NA NA +PJ106470 SSSSTTLMR C37H68N12O16S 968.4597 NA PeJP NA NA +PJ106471 SKKEEYW C45H64N10O14 968.4604 NA PeJP NA NA +PJ106472 ATTKMMMR C38H72N12O11S3 968.4606 NA PeJP NA NA +PJ106473 SCERRRY C38H64N16O12S 968.4611 NA PeJP NA NA +PJ106474 VQKMMFW C46H68N10O9S2 968.4612 NA PeJP NA NA +PJ106475 LNKMMFW C46H68N10O9S2 968.4613 NA PeJP NA NA +MJ098888 3,21-Dihydroxy-9(11),12-oleanadien-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H72O20 968.461694 NA MeJP NA NA +MJ098889 3,21-Dihydroxy-9(11),12-oleanadien-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranosyl-(1?2)-?-D-glucuronoside] C48H72O20 968.461694 NA MeJP NA NA +MJ098890 Betavulgaroside II; 2''-Me ether, 28-O-?-D-glucopyranosyl ester C48H72O20 968.461694 NA MeJP NA NA +PJ106476 GVEHRWW C46H60N14O10 968.4617 NA PeJP NA NA +PJ106477 TTTTTKMW C42H68N10O14S 968.4637 NA PeJP NA NA +PJ106478 AAKKEEMY C42H68N10O14S 968.4638 NA PeJP NA NA +PJ106479 PVLEYYW C50H64N8O12 968.4644 NA PeJP NA NA +PJ106480 GPKKMMMF C43H72N10O9S3 968.4646 NA PeJP NA NA +PJ106481 GTMRRYW C43H64N14O10S 968.4651 NA PeJP NA NA +PJ106482 QFFRWW C51H60N12O8 968.4657 NA PeJP NA NA +PJ106483 AALHWWW C51H60N12O8 968.4658 NA PeJP NA NA +PJ106484 STTTTTTKE C38H68N10O19 968.4662 NA PeJP NA NA +PJ106485 TTTKKEMM C39H72N10O14S2 968.4671 NA PeJP NA NA +PJ106486 GSTTERRY C39H64N14O15 968.4676 NA PeJP NA NA +PJ106487 SPPVLMYY C47H68N8O12S 968.4678 NA PeJP NA NA +PJ106488 GLKKMMMM C40H76N10O9S4 968.468 NA PeJP NA NA +PJ106489 VNMMRRY C40H68N14O10S2 968.4685 NA PeJP NA NA +PJ106490 SNNHRRW C40H60N18O11 968.4689 NA PeJP NA NA +PJ106491 GGGGSHRRW C40H60N18O11 968.469 NA PeJP NA NA +PJ106492 KMRYWW C48H64N12O8S 968.4691 NA PeJP NA NA +PJ106493 TTTLLEEY C43H68N8O17 968.4703 NA PeJP NA NA +PJ106494 SSSSSCKKR C36H68N14O15S 968.471 NA PeJP NA NA +PJ106495 PTTLLMMY C44H72N8O12S2 968.4711 NA PeJP NA NA +PJ106496 GLLLEMMY C44H72N8O12S2 968.4712 NA PeJP NA NA +PJ106497 STKERYW C44H64N12O13 968.4716 NA PeJP NA NA +PJ106498 GGGGGGGPPPLF C44H64N12O13 968.4717 NA PeJP NA NA +PJ106499 TCCCKKKR C37H72N14O10S3 968.4718 NA PeJP NA NA +PJ106500 NQQMHRR C37H64N18O11S 968.4723 NA PeJP NA NA +PJ106501 AKMMFRW C45H68N12O8S2 968.4725 NA PeJP NA NA +PJ106502 EHRRWW C45H60N16O9 968.473 NA PeJP NA NA +PJ106503 DKKEMRY C41H68N12O13S 968.475 NA PeJP NA NA +PJ106504 SSLKYWW C49H64N10O11 968.4756 NA PeJP NA NA +PJ106505 AAPPLEWW C49H64N10O11 968.4757 NA PeJP NA NA +PJ106506 SPMHRRW C42H64N16O9S 968.4763 NA PeJP NA NA +PJ106507 VHRWWW C50H60N14O7 968.477 NA PeJP NA NA +PJ106508 STTTTTTTR C37H68N12O18 968.4775 NA PeJP NA NA +PJ106509 TTTTKMMR C38H72N12O13S2 968.4784 NA PeJP NA NA +PJ106510 DKEEHRR C38H64N16O14 968.4788 NA PeJP NA NA +PJ106511 GGGGSPPERR C38H64N16O14 968.4789 NA PeJP NA NA +PJ106512 VDKKMYW C46H68N10O11S 968.479 NA PeJP NA NA +PJ106513 PPLFFYW C54H64N8O9 968.4797 NA PeJP NA NA +PJ106514 ATTKKEEY C42H68N10O16 968.4815 NA PeJP NA NA +PJ106515 APTKKMMY C43H72N10O11S2 968.4824 NA PeJP NA NA +PJ106516 STTRRYW C43H64N14O12 968.4828 NA PeJP NA NA +PJ106517 PPEERRW C43H64N14O12 968.4829 NA PeJP NA NA +PJ106518 PLLMFYW C51H68N8O9S 968.483 NA PeJP NA NA +PJ106519 CNQHRRR C36H64N20O10S 968.4835 NA PeJP NA NA +PJ106520 GGCQHRRR C36H64N20O10S 968.4836 NA PeJP NA NA +PJ106521 VHHHHFR C44H60N18O8 968.4842 NA PeJP NA NA +PJ106522 SSTTTTLKM C39H72N10O16S 968.4849 NA PeJP NA NA +PJ106523 APTLLEYY C47H68N8O14 968.4855 NA PeJP NA NA +PJ106524 STLKKMMM C40H76N10O11S3 968.4858 NA PeJP NA NA +PJ106525 SKEMRRY C40H68N14O12S 968.4862 NA PeJP NA NA +PJ106526 GGGGGAPPLMR C40H68N14O12S 968.4863 NA PeJP NA NA +PJ106527 LLLMMYW C48H72N8O9S2 968.4864 NA PeJP NA NA +PJ106528 PPVERWW C48H64N12O10 968.4869 NA PeJP NA NA +PJ106529 STLLLEMY C44H72N8O14S 968.4889 NA PeJP NA NA +PJ106530 ALLLMMMF C45H76N8O9S3 968.4898 NA PeJP NA NA +PJ106531 SEEHRRR C37H64N18O13 968.4901 NA PeJP NA NA +PJ106532 SVKMRYW C45H68N12O10S 968.4902 NA PeJP NA NA +PJ106533 GGCKKKYW C45H68N12O10S 968.4903 NA PeJP NA NA +PJ106534 PPVVWWW C53H64N10O8 968.4909 NA PeJP NA NA +PJ106535 SSSLKERY C41H68N12O15 968.4927 NA PeJP NA NA +PJ106536 GGSSDKKKY C41H68N12O15 968.4928 NA PeJP NA NA +PJ106537 LQKMMRY C42H72N12O10S2 968.4936 NA PeJP NA NA +PJ106538 SVEHRRW C42H64N16O11 968.4941 NA PeJP NA NA +PJ106539 LKMHFFF C50H68N10O8S 968.4943 NA PeJP NA NA +PJ106540 SSSSSKKKM C38H72N12O15S 968.4961 NA PeJP NA NA +PJ106541 GTTTLKYW C46H68N10O13 968.4968 NA PeJP NA NA +PJ106542 TCCKKKKM C39H76N12O10S3 968.497 NA PeJP NA NA +PJ106543 STMRRRY C39H68N16O11S 968.4975 NA PeJP NA NA +PJ106544 VKKMMFW C47H72N10O8S2 968.4976 NA PeJP NA NA +MJ098891 11-Hydroxy-3,21-dioxo-12-oleanen-28-oic acid; 11?-form, 11-Me ether, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C49H76O19 968.49808 NA MeJP NA NA +MJ098892 12-Oleanene-3,16,21,22,23,28-hexol, 21-Tigloyl, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-Ac C49H76O19 968.49808 NA MeJP NA NA +MJ098893 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-3-O-acetyl-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] C49H76O19 968.49808 NA MeJP NA NA +MJ098894 3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-3-O-acetyl-?-D-digitoxopyranoside] C49H76O19 968.49808 NA MeJP NA NA +PJ106545 ATLHRWW C47H64N14O9 968.4981 NA PeJP NA NA +PJ106546 GTLKKEMY C43H72N10O13S 968.5001 NA PeJP NA NA +PJ106547 VVLLEEMH C43H72N10O13S 968.5002 NA PeJP NA NA +PJ106548 VLLEFYW C51H68N8O11 968.5008 NA PeJP NA NA +PJ106549 GSSNHRRR C36H64N20O12 968.5013 NA PeJP NA NA +PJ106550 VLQMHRW C44H68N14O9S 968.5015 NA PeJP NA NA +PJ106551 KFFRWW C52H64N12O7 968.5021 NA PeJP NA NA +7494 ACE inhibitor (from bovine b-CN) LNVPGEIVE 968.5039 antioxidative Inhouse_peptide NA peptide +PJ106552 SSSTLRRY C40H68N14O14 968.504 NA PeJP NA NA +PJ106553 GPLLLMYY C48H72N8O11S 968.5042 NA PeJP NA NA +MJ098895 Vintriptol C56H68N6O9 968.504777 NA MeJP NA NA +PJ106554 CLKMRRY C41H72N14O9S2 968.5049 NA PeJP NA NA +PJ106555 GPTKHHHR C41H64N18O10 968.5053 NA PeJP NA NA +PJ106556 SVLLLMMY C45H76N8O11S2 968.5075 NA PeJP NA NA +MJ098896 Allatostatin A4 C45H68N12O12 968.507965 NA MeJP NA NA +PJ106557 APPTLERW C45H68N12O12 968.508 NA PeJP NA NA +PJ106558 VDMHRRR C38H68N18O10S 968.5087 NA PeJP NA NA +PJ106559 APHFRRW C46H64N16O8 968.5094 NA PeJP NA NA +PJ106560 GTTLKMRY C42H72N12O12S 968.5114 NA PeJP NA NA +PJ106561 GPPTLLWW C50H68N10O10 968.512 NA PeJP NA NA +PJ106562 ALMHRRW C43H68N16O8S 968.5127 NA PeJP NA NA +MJ098897 Sorangicin A; O21-?-D-Glucopyranoside C53H76O16 968.513336 NA MeJP NA NA +PJ106563 GTTLEHRR C39H68N16O13 968.5152 NA PeJP NA NA +PJ106564 GGGGGGGGPLKR C39H68N16O13 968.5153 NA PeJP NA NA +PJ106565 TLKKMYW C47H72N10O10S 968.5154 NA PeJP NA NA +PJ106566 PLLFFFW C55H68N8O8 968.5161 NA PeJP NA NA +PJ106567 VQHHHRR C40H64N20O9 968.5166 NA PeJP NA NA +PJ106568 STTLKKEY C43H72N10O15 968.5179 NA PeJP NA NA +PJ106569 GVLKKMMY C44H76N10O10S2 968.5188 NA PeJP NA NA +PJ106570 TLKEHRW C44H68N14O11 968.5192 NA PeJP NA NA +PJ106571 GGAPPTKRW C44H68N14O11 968.5193 NA PeJP NA NA +PJ106572 LLLMFFW C52H72N8O8S 968.5194 NA PeJP NA NA +PJ106573 CNKHRRR C37H68N20O9S 968.5199 NA PeJP NA NA +PJ106574 GVLLLEYY C48H72N8O13 968.5219 NA PeJP NA NA +PJ106575 GSCKKKRY C41H72N14O11S 968.5226 NA PeJP NA NA +PJ106576 SLLKHWW C49H68N12O9 968.5233 NA PeJP NA NA +PJ106577 PQQERRR C38H68N18O12 968.5265 NA PeJP NA NA +PJ106578 GPPLLMRW C46H72N12O9S 968.5266 NA PeJP NA NA +PJ106579 AHHHRRR C39H64N22O8 968.5278 NA PeJP NA NA +PJ106580 STTTLKRY C42H72N12O14 968.5291 NA PeJP NA NA +PJ106581 GGPVLLEER C42H72N12O14 968.5292 NA PeJP NA NA +PJ106582 LKKMMRY C43H76N12O9S2 968.53 NA PeJP NA NA +PJ106583 TTLHRRW C43H68N16O10 968.5305 NA PeJP NA NA +PJ106584 SPPLLKEW C47H72N10O12 968.5332 NA PeJP NA NA +PJ106585 LKEMHRR C40H72N16O10S 968.5339 NA PeJP NA NA +MJ098898 12-Oleanene-3,22-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyryranoside], 22-Ac C50H80O18 968.534465 NA MeJP NA NA +MJ098899 3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-canaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C50H80O18 968.534465 NA MeJP NA NA +MJ098900 3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C50H80O18 968.534465 NA MeJP NA NA +PJ106586 GKKKHWW C48H68N14O8 968.5345 NA PeJP NA NA +PJ106587 SSLLKKMY C44H76N10O12S 968.5365 NA PeJP NA NA +PJ106588 VLLLYYW C52H72N8O10 968.5372 NA PeJP NA NA +PJ106589 PNDRRRR C37H68N20O11 968.5377 NA PeJP NA NA +PJ106590 VLKMHRW C45H72N14O8S 968.5379 NA PeJP NA NA +HMDB09989 PIP(18:2(9Z,12Z)/20:1(11Z)) C47H86O16P2 968.539124 NA HMDB2010 NA NA +HMDB10001 PIP(20:1(11Z)/18:2(9Z,12Z)) C47H86O16P2 968.539124 NA HMDB2010 NA NA +PJ106591 GPLLEERR C41H72N14O13 968.5404 NA PeJP NA NA +PJ106592 GLLLLMFY C49H76N8O10S 968.5406 NA PeJP NA NA +PJ106593 APQRRRW C42H68N18O9 968.5417 NA PeJP NA NA +MJ098901 Polyoxypeptin A C45H76N8O15 968.543013 NA MeJP NA NA +PJ106594 GPVLLERW C46H72N12O11 968.5444 NA PeJP NA NA +PJ106595 TLMHRRR C39H72N18O9S 968.5451 NA PeJP NA NA +PJ106596 GSKKKKMY C43H76N12O11S 968.5478 NA PeJP NA NA +PJ106597 AAPLLLWW C51H72N10O9 968.5484 NA PeJP NA NA +PJ106598 SSTLLHRR C40H72N16O12 968.5516 NA PeJP NA NA +PJ106599 PPVVLKMW C48H76N10O9S 968.5518 NA PeJP NA NA +PJ106600 VKHHHRR C41H68N20O8 968.5529 NA PeJP NA NA +PJ106601 PLLLQKEE C44H76N10O14 968.5543 NA PeJP NA NA +PJ106602 VLLLLMMH C45H80N10O9S2 968.5552 NA PeJP NA NA +PJ106603 PLLERRW C45H72N14O10 968.5556 NA PeJP NA NA +PJ106604 ATLLLLYY C49H76N8O12 968.5583 NA PeJP NA NA +PJ106605 SPPLLMRR C42H76N14O10S 968.559 NA PeJP NA NA +PJ106606 PVLLRWW C50H72N12O8 968.5597 NA PeJP NA NA +PJ106607 PQKERRR C39H72N18O11 968.5628 NA PeJP NA NA +PJ106608 GAPKERRR C39H72N18O11 968.5629 NA PeJP NA NA +PJ106609 LKKMFFR C47H76N12O8S 968.563 NA PeJP NA NA +PJ106610 SSTKKKKY C43H76N12O13 968.5655 NA PeJP NA NA +PJ106611 GGGGGGGVLLLL C43H76N12O13 968.5656 NA PeJP NA NA +PJ106612 PVQKRRW C44H72N16O9 968.5669 NA PeJP NA NA +PJ106613 APLLLKEW C48H76N10O11 968.5695 NA PeJP NA NA +PJ106614 PVVVLKEW C48H76N10O11 968.5696 NA PeJP NA NA +PJ106615 GPPKKMRR C41H76N16O9S 968.5702 NA PeJP NA NA +PJ106616 GPPTLLLKM C45H80N10O11S 968.5729 NA PeJP NA NA +PJ106617 GLLLLFFF C53H76N8O9 968.5736 NA PeJP NA NA +PJ106618 PTQRRRR C38H72N20O10 968.5741 NA PeJP NA NA +PJ106619 SPVLLERR C42H76N14O12 968.5768 NA PeJP NA NA +PJ106620 APKRRRW C43H72N18O8 968.5781 NA PeJP NA NA +PJ106621 APTLLLRW C47H76N12O10 968.5808 NA PeJP NA NA +MJ098902 Foromacidin A; 4''-(2-Methylpropanoyl), 3-propanoyl C50H84N2O16 968.582084 NA MeJP NA NA +MJ098903 Foromacidin A; 4''-(3-Methylbutanoyl), 3-Ac C50H84N2O16 968.582084 NA MeJP NA NA +MJ098904 Foromacidin A; 4''-Butanoyl, 3-propanoyl C50H84N2O16 968.582084 NA MeJP NA NA +PJ106622 PVLLLQMR C44H80N12O10S 968.5842 NA PeJP NA NA +PJ106623 GPVKKERR C41H76N16O11 968.588 NA PeJP NA NA +PJ106624 PLLLKKEE C45H80N10O13 968.5907 NA PeJP NA NA +PJ106625 AAPLKKRW C46H76N14O9 968.592 NA PeJP NA NA +MJ098905 Dolastatin 12 C50H80N8O11 968.594655 NA MeJP NA NA +PJ106626 APLLLMRR C43H80N14O9S 968.5954 NA PeJP NA NA +PJ106627 PKKERRR C40H76N18O10 968.5992 NA PeJP NA NA +PJ106628 PTLLLKER C44H80N12O12 968.6019 NA PeJP NA NA +PJ106629 LLKHFRR C45H76N16O8 968.6032 NA PeJP NA NA +PJ106630 PVKKRRW C45H76N16O8 968.6033 NA PeJP NA NA +PJ106631 SPLLLLKW C49H80N10O10 968.6059 NA PeJP NA NA +PJ106632 AAPLLLLKM C46H84N10O10S 968.6093 NA PeJP NA NA +PJ106633 PTKRRRR C39H76N20O9 968.6105 NA PeJP NA NA +PJ106634 GLLLLERR C43H80N14O11 968.6131 NA PeJP NA NA +PJ106635 AVLLLERR C43H80N14O11 968.6132 NA PeJP NA NA +PJ106636 GVLLLLRW C48H80N12O9 968.6172 NA PeJP NA NA +PJ106637 PVLLLKMR C45H84N12O9S 968.6205 NA PeJP NA NA +PJ106638 GLRRRRR C38H76N22O8 968.6217 NA PeJP NA NA +PJ106639 APTLKKRR C42H80N16O10 968.6244 NA PeJP NA NA +PJ106640 LLLLLQKE C46H84N10O12 968.6271 NA PeJP NA NA +PJ106641 LLLLRRW C47H80N14O8 968.6284 NA PeJP NA NA +PJ106642 LLQKRRR C41H80N18O9 968.6356 NA PeJP NA NA +PJ106643 VVLLLKER C45H84N12O11 968.6383 NA PeJP NA NA +PJ106644 ALLLLLKW C50H84N10O9 968.6423 NA PeJP NA NA +PJ106645 VVKRRRR C40H80N20O8 968.6468 NA PeJP NA NA +PJ106646 SVLLLLRR C44H84N14O10 968.6495 NA PeJP NA NA +PJ106647 GVLLKKRR C43H84N16O9 968.6608 NA PeJP NA NA +PJ106648 GSLLLLLLK C47H88N10O11 968.6634 NA PeJP NA NA +PJ106649 LLLLLKKE C47H88N10O11 968.6635 NA PeJP NA NA +PJ106650 LLKKRRR C42H84N18O8 968.672 NA PeJP NA NA +PJ106651 TLLLLLKR C46H88N12O10 968.6747 NA PeJP NA NA +PJ106652 ALLLKKKR C45H88N14O9 968.6859 NA PeJP NA NA +MJ098906 Plectaniaxanthin, 1'-O-(Hexadecanoyl-?-D-glucopyranoside) C62H96O8 968.71052 NA MeJP NA NA +PJ106653 VLLLKKKK C47H92N12O9 968.7111 NA PeJP NA NA +HMDB05464 TG(20:1(11Z)/20:1(11Z)/20:1(11Z)) C63H116O6 968.877197 NA HMDB2010 NA NA +HMDB05464 TG(20:1(11Z)/20:1(11Z)/20:1(11Z)) C63H116O6 968.8772 http://www.hmdb.ca/metabolites/HMDB05464 HMDB NA NA +HMDB05464 TG(20:1(11Z)/20:1(11Z)/20:1(11Z)) C63H116O6 968.8772 HMDB05464 PFEM_hmdb_metabocards_official NA NA +PJ106654 CCCCCCCDD C29H47N9O14S7 969.1288 NA PeJP NA NA +PJ106655 SCCCCCCDM C30H51N9O13S7 969.1652 NA PeJP NA NA +MetaCyc04348 (3-methylphenyl)itaconyl-CoA [3-methylphenylitaconyl-CoA;] C33H46N7O19P3S1 969.178203 NA metacyc NA NA +PJ106656 ACCCCCCMM C31H55N9O10S8 969.1838 NA PeJP NA NA +PJ106657 GCCCCCCEF C34H51N9O12S6 969.1982 NA PeJP NA NA +PJ106658 SSCCCCCMM C31H55N9O12S7 969.2015 NA PeJP NA NA +PJ106659 TTCCCCCCM C31H55N9O12S7 969.2016 NA PeJP NA NA +PJ106660 GCCCCDDDH C32H47N11O16S4 969.2086 NA PeJP NA NA +PJ106661 CCCCCCFW C38H51N9O9S6 969.2134 NA PeJP NA NA +PJ106662 GSCCCCCEY C34H51N9O14S5 969.2159 NA PeJP NA NA +PJ106663 SPCCCCCDH C33H51N11O13S5 969.2272 NA PeJP NA NA +PJ106664 SCCCCCYW C38H51N9O11S5 969.2312 NA PeJP NA NA +PJ106665 SSSCCCCDY C34H51N9O16S4 969.2337 NA PeJP NA NA +PJ106666 CCCCNMMY C35H55N9O11S6 969.2346 NA PeJP NA NA +PJ106667 GCCCCCNQH C32H51N13O12S5 969.2384 NA PeJP NA NA +PJ106668 GCCNNDDDD C32H47N11O20S2 969.2441 NA PeJP NA NA +PJ106669 GSCCCDDMH C33H51N11O15S4 969.2449 NA PeJP NA NA +PJ106670 APCCCCCMH C34H55N11O10S6 969.2458 NA PeJP NA NA +PJ106671 CCCCNDFY C38H51N9O13S4 969.249 NA PeJP NA NA +PJ106672 GSCDDDDDE C33H47N9O23S 969.2506 NA PeJP NA NA +PJ106673 GPCCDDDDM C34H51N9O18S3 969.2515 NA PeJP NA NA +PJ106674 GSTCCCCMY C35H55N9O13S5 969.2523 NA PeJP NA NA +PJ106675 SSCCCCNNH C32H51N13O14S4 969.2562 NA PeJP NA NA +PJ106676 SCCCCEHW C37H51N11O12S4 969.2602 NA PeJP NA NA +PJ106677 SSSCCCDEH C33H51N11O17S3 969.2627 NA PeJP NA NA +PJ106678 CCCNEMMH C34H55N11O12S5 969.2636 NA PeJP NA NA +PJ106679 SCDDDDDW C37H47N9O20S 969.2659 NA PeJP NA NA +PJ106680 PCCCDDEW C38H51N9O15S3 969.2667 NA PeJP NA NA +PJ106681 CCCCNMFF C39H55N9O10S5 969.2676 NA PeJP NA NA +PJ106682 SSSDDDDDD C33H47N9O25 969.2684 NA PeJP NA NA +PJ106683 NDDDDDMM C34H51N9O20S2 969.2692 NA PeJP NA NA +PJ106684 SSSSCCCMY C35H55N9O15S4 969.2701 NA PeJP NA NA +MJ098907 Antibiotic SP 969 C44H49Cl2N7O14 969.271454 NA MeJP NA NA +PJ106685 GCCCNNNNE C32H51N13O16S3 969.2739 NA PeJP NA NA +PJ106686 GGGGGGGCCCNE C32H51N13O16S3 969.274 NA PeJP NA NA +PJ106687 CCCCDMHR C33H55N13O11S5 969.2748 NA PeJP NA NA +PJ106688 CCCNDEHF C37H51N11O14S3 969.278 NA PeJP NA NA +PJ106689 GCCCMMHW C38H55N11O9S5 969.2788 NA PeJP NA NA +PJ106690 GSCCNNDEE C33H51N11O19S2 969.2804 NA PeJP NA NA +PJ106691 CCDDDDER C33H51N11O19S2 969.2805 NA PeJP NA NA +PJ106692 GSSCCDMMH C34H55N11O14S4 969.2813 NA PeJP NA NA +PJ106693 CCCCQHHH C35H51N15O10S4 969.2827 NA PeJP NA NA +PJ106694 NDDDDDDF C37H47N9O22 969.2836 NA PeJP NA NA +PJ106695 GCDDDEMW C38H51N9O17S2 969.2845 NA PeJP NA NA +PJ106696 GCCCQMYY C39H55N9O12S4 969.2853 NA PeJP NA NA +PJ106697 GSSDDDDEM C34H51N9O22S 969.287 NA PeJP NA NA +PJ106698 GSPCCDEEM C35H55N9O17S3 969.2878 NA PeJP NA NA +PJ106699 GSPCDDDMM C35H55N9O17S3 969.2879 NA PeJP NA NA +PJ106700 CNDDDDHH C35H47N13O18S 969.2883 NA PeJP NA NA +PJ106701 GPPCCCEMM C36H59N9O12S5 969.2887 NA PeJP NA NA +PJ106702 CCCNNNNW C36H51N13O13S3 969.2892 NA PeJP NA NA +PJ106703 SSCCNNNND C32H51N13O18S2 969.2917 NA PeJP NA NA +PJ106704 GPCCCCNDR C33H55N13O13S4 969.2926 NA PeJP NA NA +PJ106705 GCCCDHFW C41H51N11O11S3 969.2932 NA PeJP NA NA +PJ106706 SCCNNDEW C37H51N11O16S2 969.2957 NA PeJP NA NA +PJ106707 STCCCMHW C38H55N11O11S4 969.2966 NA PeJP NA NA +PJ106708 SSSCNNDDE C33H51N11O21S 969.2982 NA PeJP NA NA +PJ106709 SSSSCCEMH C34H55N11O16S3 969.2991 NA PeJP NA NA +PJ106710 CDDDMWW C42H51N9O14S2 969.2997 NA PeJP NA NA +PJ106711 SCCQMMMH C35H59N11O11S5 969.2999 NA PeJP NA NA +PJ106712 GGTCCMMMH C35H59N11O11S5 969.3 NA PeJP NA NA +PJ106713 GSSCCCHHH C35H51N15O12S3 969.3004 NA PeJP NA NA +PJ106714 SSDDDDMW C38H51N9O19S 969.3022 NA PeJP NA NA +PJ106715 SPCCDEMW C39H55N9O14S3 969.3031 NA PeJP NA NA +PJ106716 PPCCCMMW C40H59N9O9S5 969.304 NA PeJP NA NA +PJ106717 SSSSDDDEE C34H51N9O24 969.3047 NA PeJP NA NA +PJ106718 SNDDEEMM C35H55N9O19S2 969.3056 NA PeJP NA NA +PJ106719 CDDEYYY C43H51N7O17S 969.3062 NA PeJP NA NA +PJ106720 PCNDEMMM C36H59N9O14S4 969.3065 NA PeJP NA NA +PJ106721 GSPCCDDHH C36H51N13O15S2 969.307 NA PeJP NA NA +PJ106722 APPCCCCHH C37H55N13O10S4 969.3078 NA PeJP NA NA +PJ106723 CCNNDDMR C33H55N13O15S3 969.3103 NA PeJP NA NA +PJ106724 CEMMMYY C41H59N7O12S4 969.3105 NA PeJP NA NA +PJ106725 GSCCNDWW C41H51N11O13S2 969.311 NA PeJP NA NA +PJ106726 SCCCMMHR C34H59N13O10S5 969.3112 NA PeJP NA NA +PJ106727 GSSSCNDDW C37H51N11O18S 969.3135 NA PeJP NA NA +PJ106728 GCNNDMMW C38H55N11O13S3 969.3143 NA PeJP NA NA +PJ106729 GGGGGCDMMW C38H55N11O13S3 969.3144 NA PeJP NA NA +PJ106730 GSSSSSNDDD C33H51N11O23 969.316 NA PeJP NA NA +PJ106731 SCDDDEMR C34H55N11O18S2 969.3168 NA PeJP NA NA +PJ106732 GGGGGSSDDMM C34H55N11O18S2 969.3169 NA PeJP NA NA +PJ106733 GPCDDDYW C42H51N9O16S 969.3175 NA PeJP NA NA +PJ106734 PCCDDMMR C35H59N11O13S4 969.3177 NA PeJP NA NA +PJ106735 CCNNNEHH C35H51N15O14S2 969.3182 NA PeJP NA NA +PJ106736 PPCCCDFW C43H55N9O11S3 969.3184 NA PeJP NA NA +PJ106737 CCCCKHHH C36H55N15O9S4 969.3191 NA PeJP NA NA +PJ106738 GNDDEEEY C38H51N9O21 969.32 NA PeJP NA NA +PJ106739 GSSSTCCYY C39H55N9O16S2 969.3208 NA PeJP NA NA +PJ106740 GSDDEMMW C39H55N9O16S2 969.3209 NA PeJP NA NA +PJ106741 GSCCCNNNR C32H55N15O14S3 969.3215 NA PeJP NA NA +PJ106742 GGGSCCCNNR C32H55N15O14S3 969.3216 NA PeJP NA NA +PJ106743 GPCDMMMW C40H59N9O11S4 969.3217 NA PeJP NA NA +PJ106744 GSSSDEEEM C35H55N9O21S 969.3234 NA PeJP NA NA +PJ106745 GNEEEMMM C36H59N9O16S3 969.3242 NA PeJP NA NA +PJ106746 CNNNNNDY C36H51N13O17S 969.3247 NA PeJP NA NA +PJ106747 CDEMFYY C44H55N7O14S2 969.3249 NA PeJP NA NA +PJ106748 GPPTCCMMM C37H63N9O11S5 969.3251 NA PeJP NA NA +PJ106749 GCCCNERW C37H55N13O12S3 969.3256 NA PeJP NA NA +PJ106750 GSSCCNDER C33H55N13O17S2 969.3281 NA PeJP NA NA +PJ106751 GCNNDDFW C41H51N11O15S 969.3287 NA PeJP NA NA +PJ106752 GSPCCCNMR C34H59N13O12S4 969.3289 NA PeJP NA NA +PJ106753 GGGSPCCCMR C34H59N13O12S4 969.329 NA PeJP NA NA +PJ106754 CCNQMWW C42H55N11O10S3 969.3296 NA PeJP NA NA +PJ106755 GDDDDDRY C37H51N11O20 969.3312 NA PeJP NA NA +PJ106756 SSCNNEMW C38H55N11O15S2 969.3321 NA PeJP NA NA +PJ106757 PCCCCQKW C39H59N11O10S4 969.333 NA PeJP NA NA +PJ106758 GCCNNHHW C39H51N15O11S2 969.3334 NA PeJP NA NA +PJ106759 GGGGGCCHHW C39H51N15O11S2 969.3335 NA PeJP NA NA +PJ106760 SSSSNNDEM C34H55N11O20S 969.3346 NA PeJP NA NA +PJ106761 NDDEEYW C42H51N9O18 969.3352 NA PeJP NA NA +PJ106762 GGDDEEYW C42H51N9O18 969.3353 NA PeJP NA NA +PJ106763 GDDDMMMR C35H59N11O15S3 969.3355 NA PeJP NA NA +PJ106764 GSSCNNDHH C35H51N15O16S 969.3359 NA PeJP NA NA +PJ106765 GGGGGSSCDHH C35H51N15O16S 969.336 NA PeJP NA NA +PJ106766 SDDMMWW C43H55N9O13S2 969.3361 NA PeJP NA NA +PJ106767 SCCKMMMH C36H63N11O10S5 969.3363 NA PeJP NA NA +PJ106768 PCCCDHHR C36H55N15O11S3 969.3368 NA PeJP NA NA +PJ106769 SSSDEEMW C39H55N9O18S 969.3386 NA PeJP NA NA +PJ106770 NEEMMMW C40H59N9O13S3 969.3395 NA PeJP NA NA +PJ106771 GSCDEHHW C40H51N13O14S 969.34 NA PeJP NA NA +PJ106772 CCCNRWW C41H55N13O9S3 969.3408 NA PeJP NA NA +PJ106773 SSSSSEEEE C35H55N9O23 969.3411 NA PeJP NA NA +PJ106774 SSQEEEMM C36H59N9O18S2 969.342 NA PeJP NA NA +PJ106775 GSSSDDEHH C36H51N13O19 969.3425 NA PeJP NA NA +PJ106776 SDEMYYY C44H55N7O16S 969.3426 NA PeJP NA NA +PJ106777 SSSPPCMMM C37H63N9O13S4 969.3428 NA PeJP NA NA +PJ106778 SPNEMMMM C37H63N9O13S4 969.3429 NA PeJP NA NA +PJ106779 SSCCNDRW C37H55N13O14S2 969.3433 NA PeJP NA NA +PJ106780 GGGGGGGGCNMF C37H55N13O14S2 969.3434 NA PeJP NA NA +PJ106781 PCMMYYY C45H59N7O11S3 969.3435 NA PeJP NA NA +PJ106782 ACCCMHFR C38H59N13O9S4 969.3442 NA PeJP NA NA +PJ106783 SSSSCNDDR C33H55N13O19S 969.3458 NA PeJP NA NA +PJ106784 GSNNDDYW C41H51N11O17 969.3465 NA PeJP NA NA +PJ106785 SCNNDMMR C34H59N13O14S3 969.3467 NA PeJP NA NA +PJ106786 TMMMMYY C42H63N7O11S4 969.3469 NA PeJP NA NA +PJ106787 GSSCNMWW C42H55N11O12S2 969.3473 NA PeJP NA NA +PJ106788 GGGSSCMWW C42H55N11O12S2 969.3474 NA PeJP NA NA +PJ106789 GSSSSNDMW C38H55N11O17S 969.3498 NA PeJP NA NA +PJ106790 GGGSSSSDMW C38H55N11O17S 969.3499 NA PeJP NA NA +PJ106791 GDDEYWW C46H51N9O15 969.3505 NA PeJP NA NA +PJ106792 CDEMMRW C39H59N11O12S3 969.3507 NA PeJP NA NA +PJ106793 PCCEFWW C47H55N9O10S2 969.3514 NA PeJP NA NA +PJ106794 GSSSSSSNEE C34H55N11O22 969.3523 NA PeJP NA NA +PJ106795 GGGSSSSSSEE C34H55N11O22 969.3524 NA PeJP NA NA +PJ106796 SSDDEMMR C35H59N11O17S2 969.3532 NA PeJP NA NA +MJ098908 Trestatin B C37H63NO28 969.35366 NA MeJP NA NA +PJ106797 NNNNNDEH C35H51N15O18 969.3537 NA PeJP NA NA +PJ106798 GSPDDMYW C43H55N9O15S 969.3539 NA PeJP NA NA +PJ106799 SPCDMMMR C36H63N11O12S4 969.3541 NA PeJP NA NA +PJ106800 GCDDMHHR C36H55N15O13S2 969.3546 NA PeJP NA NA +PJ106801 GEMMMWW C44H59N9O10S3 969.3547 NA PeJP NA NA +PJ106802 GPPPCCCFF C44H59N9O10S3 969.3548 NA PeJP NA NA +PJ106803 SCDHHWW C44H51N13O11S 969.3552 NA PeJP NA NA +PJ106804 GSQEEEEY C39H55N9O20 969.3564 NA PeJP NA NA +PJ106805 GSTEEMMW C40H59N9O15S2 969.3572 NA PeJP NA NA +PJ106806 GGGPEEMMY C40H59N9O15S2 969.3573 NA PeJP NA NA +PJ106807 SSSDDHHW C40H51N13O16 969.3577 NA PeJP NA NA +PJ106808 PCDFYYY C48H55N7O13S 969.3579 NA PeJP NA NA +PJ106809 GSPMMMMW C41H63N9O10S4 969.3581 NA PeJP NA NA +PJ106810 NDMMHHW C41H55N13O11S2 969.3586 NA PeJP NA NA +PJ106811 GSSTTEEEM C36H59N9O20S 969.3597 NA PeJP NA NA +PJ106812 GDKEEMMM C37H63N9O15S3 969.3606 NA PeJP NA NA +PJ106813 GCNNDERY C37H55N13O16S 969.3611 NA PeJP NA NA +PJ106814 AEMMYYY C45H59N7O13S2 969.3613 NA PeJP NA NA +PJ106815 APQMMMMM C38H67N9O10S5 969.3615 NA PeJP NA NA +PJ106816 PDDDHWW C45H51N11O14 969.3617 NA PeJP NA NA +PJ106817 GSCCQMRW C38H59N13O11S3 969.362 NA PeJP NA NA +PJ106818 GCNEHHHH C38H51N17O12S 969.3624 NA PeJP NA NA +PJ106819 CCQHFFW C46H55N11O9S2 969.3626 NA PeJP NA NA +PJ106820 SSSSSSSNNN C33H55N13O21 969.3636 NA PeJP NA NA +PJ106821 ASSSCCQER C34H59N13O16S2 969.3644 NA PeJP NA NA +PJ106822 GSSSCNEMR C34H59N13O16S2 969.3645 NA PeJP NA NA +PJ106823 SSSSCQWW C42H55N11O14S 969.3651 NA PeJP NA NA +PJ106824 GCNQMMMR C35H63N13O11S4 969.3653 NA PeJP NA NA +PJ106825 DDYWWW C50H51N9O12 969.3658 NA PeJP NA NA +PJ106826 CCNKMWW C43H59N11O9S3 969.366 NA PeJP NA NA +PJ106827 SSSSSSNEW C38H55N11O19 969.3676 NA PeJP NA NA +PJ106828 SSSNQMMW C39H59N11O14S2 969.3685 NA PeJP NA NA +PJ106829 GNNNNDHW C39H51N15O15 969.3689 NA PeJP NA NA +PJ106830 GGGNNNDHW C39H51N15O15 969.369 NA PeJP NA NA +PJ106831 SPCEYWW C47H55N9O12S 969.3691 NA PeJP NA NA +PJ106832 PCCCCKKW C40H63N11O9S4 969.3694 NA PeJP NA NA +PJ106833 CCEHHRW C40H55N15O10S2 969.3698 NA PeJP NA NA +PJ106834 MMMWWW C48H59N9O7S3 969.37 NA PeJP NA NA +PJ106835 SSSSSQQEM C35H59N11O19S 969.371 NA PeJP NA NA +PJ106836 SQEEEYW C43H55N9O17 969.3716 NA PeJP NA NA +PJ106837 ASDEMMMR C36H63N11O14S3 969.3718 NA PeJP NA NA +PJ106838 GSEEMMMR C36H63N11O14S3 969.3719 NA PeJP NA NA +PJ106839 SSCDEHHR C36H55N15O15S 969.3723 NA PeJP NA NA +PJ106840 GGGGGGGGGPTCH C36H55N15O15S 969.3724 NA PeJP NA NA +PJ106841 STEMMWW C44H59N9O12S2 969.3725 NA PeJP NA NA +PJ106842 APCMMMMR C37H67N11O9S5 969.3727 NA PeJP NA NA +PJ106843 NDDHHFW C44H51N13O13 969.373 NA PeJP NA NA +PJ106844 GSCCCRRW C37H59N15O10S3 969.3732 NA PeJP NA NA +PJ106845 ACMHHWW C45H55N13O8S2 969.3738 NA PeJP NA NA +PJ106846 SSTTEEMW C40H59N9O17S 969.375 NA PeJP NA NA +PJ106847 SPDYYYY C48H55N7O15 969.3756 NA PeJP NA NA +PJ106848 GSSSCCDRR C33H59N15O15S2 969.3757 NA PeJP NA NA +PJ106849 DKEMMMW C41H63N9O12S3 969.3759 NA PeJP NA NA +PJ106850 CNNDRYW C41H55N13O13S 969.3763 NA PeJP NA NA +PJ106851 GGGGCDRYW C41H55N13O13S 969.3764 NA PeJP NA NA +PJ106852 PCMFFYY C49H59N7O10S2 969.3765 NA PeJP NA NA +PJ106853 GCCNMMRR C34H63N15O10S4 969.3766 NA PeJP NA NA +PJ106854 MMMHHHF C42H59N13O8S3 969.3772 NA PeJP NA NA +PJ106855 SSSTTTEEE C36H59N9O22 969.3775 NA PeJP NA NA +PJ106856 CNHHHHW C42H51N17O9S 969.3777 NA PeJP NA NA +PJ106857 SSKEEEMM C37H63N9O17S2 969.3784 NA PeJP NA NA +PJ106858 SSNNDDRY C37H55N13O18 969.3788 NA PeJP NA NA +PJ106859 GGGGSSDDRY C37H55N13O18 969.3789 NA PeJP NA NA +PJ106860 TTEMYYY C45H59N7O15S 969.379 NA PeJP NA NA +PJ106861 GLQEMMMM C38H67N9O12S4 969.3792 NA PeJP NA NA +PJ106862 GGALEMMMM C38H67N9O12S4 969.3793 NA PeJP NA NA +PJ106863 SSSCNMRW C38H59N13O13S2 969.3797 NA PeJP NA NA +PJ106864 CLMMFYY C46H63N7O10S3 969.3799 NA PeJP NA NA +PJ106865 SSNDHHHH C38H51N17O14 969.3802 NA PeJP NA NA +PJ106866 GNNMYWW C46H55N11O11S 969.3804 NA PeJP NA NA +PJ106867 SSSSSNDMR C34H59N13O18S 969.3822 NA PeJP NA NA +PJ106868 GSSSSSSWW C42H55N11O16 969.3829 NA PeJP NA NA +PJ106869 SSNNMMMR C35H63N13O13S3 969.3831 NA PeJP NA NA +PJ106870 GSTCCKWW C43H59N11O11S2 969.3837 NA PeJP NA NA +PJ106871 GGGGGAMMFW C43H59N11O11S2 969.3838 NA PeJP NA NA +PJ106872 DMFWWW C51H55N9O9S 969.3844 NA PeJP NA NA +PJ106873 GSSSSTQMW C39H59N11O16S 969.3862 NA PeJP NA NA +PJ106874 GGGGGAATEMY C39H59N11O16S 969.3863 NA PeJP NA NA +PJ106875 GTEEYWW C47H55N9O14 969.3869 NA PeJP NA NA +PJ106876 SEMMMRW C40H63N11O11S3 969.3871 NA PeJP NA NA +PJ106877 GNNNMHHF C40H55N15O12S 969.3876 NA PeJP NA NA +PJ106878 GPMMYWW C48H59N9O9S2 969.3878 NA PeJP NA NA +PJ106879 GSSSSSSDKE C35H59N11O21 969.3887 NA PeJP NA NA +PJ106880 SSTEEMMR C36H63N11O16S2 969.3896 NA PeJP NA NA +PJ106881 GNNDEEHR C36H55N15O17 969.3901 NA PeJP NA NA +PJ106882 GSSCKYYY C44H59N9O14S 969.3902 NA PeJP NA NA +PJ106883 VNEEMYW C44H59N9O14S 969.3903 NA PeJP NA NA +PJ106884 AAEMMMMR C37H67N11O11S4 969.3905 NA PeJP NA NA +PJ106885 EFYYYW C52H55N7O12 969.3909 NA PeJP NA NA +PJ106886 GCCNDFRR C37H59N15O12S2 969.391 NA PeJP NA NA +PJ106887 SVMMMWW C45H63N9O9S3 969.3911 NA PeJP NA NA +PJ106888 SSMHHWW C45H55N13O10S 969.3916 NA PeJP NA NA +PJ106889 ASSSPTEEY C40H59N9O19 969.3927 NA PeJP NA NA +PJ106890 GSKEEEEY C40H59N9O19 969.3928 NA PeJP NA NA +PJ106891 SSSLEMMW C41H63N9O14S2 969.3936 NA PeJP NA NA +PJ106892 SSSTEHHW C41H55N13O15 969.3941 NA PeJP NA NA +PJ106893 APMYYYY C49H59N7O12S 969.3943 NA PeJP NA NA +PJ106894 LQMMMMW C42H67N9O9S4 969.3945 NA PeJP NA NA +PJ106895 CNNMFRW C42H59N13O10S2 969.395 NA PeJP NA NA +PJ106896 SSSSTLEEM C37H63N9O19S 969.3961 NA PeJP NA NA +PJ106897 ATKEEMMM C38H67N9O14S3 969.397 NA PeJP NA NA +PJ106898 GSSSSTCRW C38H59N13O15S 969.3975 NA PeJP NA NA +PJ106899 SLMMYYY C46H63N7O12S2 969.3976 NA PeJP NA NA +PJ106900 APKMMMMM C39H71N9O9S5 969.3979 NA PeJP NA NA +PJ106901 SSNQYWW C46H55N11O13 969.3981 NA PeJP NA NA +PJ106902 GSCCKMRW C39H63N13O10S3 969.3983 NA PeJP NA NA +PJ106903 GGPCCCKFR C39H63N13O10S3 969.3984 NA PeJP NA NA +PJ106904 GSQMHHHH C39H55N17O11S 969.3988 NA PeJP NA NA +PJ106905 CCKHFFW C47H59N11O8S2 969.399 NA PeJP NA NA +PJ106906 GSSSSSSSER C34H59N13O20 969.4 NA PeJP NA NA +PJ106907 GSSSSQMMR C35H63N13O15S2 969.4008 NA PeJP NA NA +PJ106908 GGGGSSSCCKK C35H63N13O15S2 969.4009 NA PeJP NA NA +PJ106909 SNNNNDHR C35H55N17O16 969.4013 NA PeJP NA NA +PJ106910 SSSSCKWW C43H59N11O13S 969.4015 NA PeJP NA NA +PJ106911 DMMMMRR C36H67N13O10S4 969.4017 NA PeJP NA NA +PJ106912 TEYWWW C51H55N9O11 969.4021 NA PeJP NA NA +PJ106913 PCMMFRW C44H63N11O8S3 969.4024 NA PeJP NA NA +PJ106914 GPPCHHHW C44H55N15O9S 969.4028 NA PeJP NA NA +PJ106915 SSSSSSDKW C39H59N11O18 969.404 NA PeJP NA NA +PJ106916 SSSKMMHY C40H63N11O13S2 969.4048 NA PeJP NA NA +PJ106917 SSSNKMMW C40H63N11O13S2 969.4049 NA PeJP NA NA +PJ106918 NNDEHRW C40H55N15O14 969.4053 NA PeJP NA NA +PJ106919 GGGGGGGTQHW C40H55N15O14 969.4054 NA PeJP NA NA +PJ106920 GVEMYWW C48H59N9O11S 969.4055 NA PeJP NA NA +PJ106921 SSCCCRRR C33H63N17O11S3 969.4056 NA PeJP NA NA +PJ106922 CLMMMRW C41H67N11O8S4 969.4057 NA PeJP NA NA +PJ106923 TCMHHRW C41H59N15O9S2 969.4062 NA PeJP NA NA +PJ106924 EHHHHHH C41H51N19O10 969.4067 NA PeJP NA NA +PJ106925 SSSSSQKEM C36H63N11O18S 969.4073 NA PeJP NA NA +PJ106926 GGSSSSTKEM C36H63N11O18S 969.4074 NA PeJP NA NA +PJ106927 SKEEEYW C44H59N9O16 969.408 NA PeJP NA NA +PJ106928 ATTEMMMR C37H67N11O13S3 969.4082 NA PeJP NA NA +PJ106929 GSCNDRRY C37H59N15O14S 969.4087 NA PeJP NA NA +PJ106930 PDKMMYW C45H63N9O11S2 969.4089 NA PeJP NA NA +PJ106931 GQQEHWW C45H55N13O12 969.4093 NA PeJP NA NA +PJ106932 GGAQEHWW C45H55N13O12 969.4094 NA PeJP NA NA +PJ106933 PCFFFFY C53H59N7O9S 969.4095 NA PeJP NA NA +PJ106934 QMMMHHR C38H63N15O9S3 969.4096 NA PeJP NA NA +PJ106935 GSCHHHHR C38H55N19O10S 969.4101 NA PeJP NA NA +PJ106936 TTTTTEMW C41H63N9O16S 969.4114 NA PeJP NA NA +PJ106937 GLEYYYY C49H59N7O14 969.412 NA PeJP NA NA +PJ106938 GSSSSCMRR C34H63N15O14S2 969.4121 NA PeJP NA NA +PJ106939 GTTLMMMW C42H67N9O11S3 969.4123 NA PeJP NA NA +PJ106940 SNNMRYW C42H59N13O12S 969.4127 NA PeJP NA NA +PJ106941 GGGGGGPPMHF C42H59N13O12S 969.4128 NA PeJP NA NA +PJ106942 CLMFFFY C50H63N7O9S2 969.4129 NA PeJP NA NA +PJ106943 ACCCKMRR C35H67N15O9S4 969.413 NA PeJP NA NA +PJ106944 GNNFFWW C50H55N11O10 969.4134 NA PeJP NA NA +PJ106945 STTTTTTEE C37H63N9O21 969.4139 NA PeJP NA NA +PJ106946 SSSSLLDMM C38H67N9O16S2 969.4147 NA PeJP NA NA +PJ106947 TTTKEEMM C38H67N9O16S2 969.4148 NA PeJP NA NA +PJ106948 SSSSSSSRW C38H59N13O17 969.4152 NA PeJP NA NA +PJ106949 GGGGPPDEER C38H59N13O17 969.4153 NA PeJP NA NA +PJ106950 GLKEMMMM C39H71N9O11S4 969.4156 NA PeJP NA NA +PJ106951 SSTCCKRW C39H63N13O12S2 969.4161 NA PeJP NA NA +PJ106952 GPDDHHHR C39H55N17O13 969.4166 NA PeJP NA NA +PJ106953 EMRYWW C47H59N11O10S 969.4167 NA PeJP NA NA +PJ106954 GGACKYWW C47H59N11O10S 969.4168 NA PeJP NA NA +PJ106955 SSSSSTQMR C35H63N13O17S 969.4186 NA PeJP NA NA +PJ106956 STEERYW C43H59N11O15 969.4192 NA PeJP NA NA +PJ106957 GGGSSKEYW C43H59N11O15 969.4193 NA PeJP NA NA +PJ106958 SSCQKMMR C36H67N13O12S3 969.4195 NA PeJP NA NA +PJ106959 GNNNQMHR C36H59N17O13S 969.4199 NA PeJP NA NA +PJ106960 GGGGGNQMHR C36H59N17O13S 969.42 NA PeJP NA NA +PJ106961 SPMMRYW C44H63N11O10S2 969.4201 NA PeJP NA NA +PJ106962 GNDHRWW C44H55N15O11 969.4206 NA PeJP NA NA +PJ106963 VMYWWW C52H59N9O8S 969.4208 NA PeJP NA NA +PJ106964 GSSSSTKMW C40H63N11O15S 969.4226 NA PeJP NA NA +PJ106965 SSLEYWW C48H59N9O13 969.4233 NA PeJP NA NA +PJ106966 GSCKKMMW C41H67N11O10S3 969.4235 NA PeJP NA NA +PJ106967 GSPCQHRW C41H59N15O11S 969.424 NA PeJP NA NA +PJ106968 GLMMFWW C49H63N9O8S2 969.4241 NA PeJP NA NA +PJ106969 QQHWWW C49H55N13O9 969.4246 NA PeJP NA NA +PJ106970 GSSSSSTTKE C36H63N11O20 969.4251 NA PeJP NA NA +PJ106971 TTTTEMMR C37H67N11O15S2 969.426 NA PeJP NA NA +PJ106972 SSQQQQQH C37H59N15O16 969.4264 NA PeJP NA NA +PJ106973 DEEEHRR C37H59N15O16 969.4265 NA PeJP NA NA +PJ106974 VDKEMYW C45H63N9O13S 969.4266 NA PeJP NA NA +PJ106975 PPPVDEMW C45H63N9O13S 969.4267 NA PeJP NA NA +PJ106976 GTLMMMMR C38H71N11O10S4 969.4269 NA PeJP NA NA +PJ106977 LYYYYW C53H59N7O11 969.4273 NA PeJP NA NA +PJ106978 GGGGAPMMHR C38H63N15O11S2 969.4274 NA PeJP NA NA +PJ106979 PKMMMFW C46H67N9O8S3 969.4275 NA PeJP NA NA +PJ106980 PCNKHWW C46H59N13O9S 969.428 NA PeJP NA NA +PJ106981 ATTKEEEY C41H63N9O18 969.4291 NA PeJP NA NA +PJ106982 PPLQEEEE C41H63N9O18 969.4292 NA PeJP NA NA +PJ106983 SSSSSTCRR C34H63N15O16S 969.4298 NA PeJP NA NA +PJ106984 STTTLMMW C42H67N9O13S2 969.43 NA PeJP NA NA +PJ106985 GSSSQRYW C42H59N13O14 969.4305 NA PeJP NA NA +PJ106986 ALMFYYY C50H63N7O11S 969.4306 NA PeJP NA NA +PJ106987 VCLFYYY C50H63N7O11S 969.4307 NA PeJP NA NA +PJ106988 LKMMMMW C43H71N9O8S4 969.4309 NA PeJP NA NA +PJ106989 GCNNNHRR C35H59N19O12S 969.4312 NA PeJP NA NA +PJ106990 CCQKFRW C43H63N13O9S2 969.4314 NA PeJP NA NA +PJ106991 QQHHHHF C43H55N17O10 969.4318 NA PeJP NA NA +PJ106992 SSTTTTLEM C38H67N9O18S 969.4325 NA PeJP NA NA +PJ106993 STLKEMMM C39H71N9O13S3 969.4334 NA PeJP NA NA +PJ106994 GSTQQMRY C39H63N13O14S 969.4338 NA PeJP NA NA +PJ106995 SEEMRRY C39H63N13O14S 969.4339 NA PeJP NA NA +PJ106996 SSNKYWW C47H59N11O12 969.4345 NA PeJP NA NA +PJ106997 APPMMMHR C40H67N13O9S3 969.4347 NA PeJP NA NA +PJ106998 CDHHFRR C40H59N17O10S 969.4352 NA PeJP NA NA +PJ106999 APHHHWW C48H55N15O8 969.4358 NA PeJP NA NA +PJ107000 GSSSSSTTTR C35H63N13O19 969.4363 NA PeJP NA NA +PJ107001 GSSSSKMMR C36H67N13O14S2 969.4372 NA PeJP NA NA +PJ107002 GSNDEHRR C36H59N17O15 969.4377 NA PeJP NA NA +PJ107003 SVEMRYW C44H63N11O12S 969.4379 NA PeJP NA NA +PJ107004 ACCKKMMR C37H71N13O9S4 969.4381 NA PeJP NA NA +PJ107005 GPVYYWW C52H59N9O10 969.4385 NA PeJP NA NA +PJ107006 CCNRRRY C37H63N17O10S2 969.4386 NA PeJP NA NA +PJ107007 GMHHFRW C45H59N15O8S 969.4392 NA PeJP NA NA +PJ107008 SSSSSTTKW C40H63N11O17 969.4404 NA PeJP NA NA +PJ107009 SSTCKKMW C41H67N11O12S2 969.4412 NA PeJP NA NA +PJ107010 GALEMMRY C41H67N11O12S2 969.4413 NA PeJP NA NA +PJ107011 SQQEHRW C41H59N15O13 969.4417 NA PeJP NA NA +PJ107012 ATLMYWW C49H63N9O10S 969.4419 NA PeJP NA NA +PJ107013 SSSSSKKEM C37H67N11O17S 969.4437 NA PeJP NA NA +PJ107014 GTTTLEYW C45H63N9O15 969.4444 NA PeJP NA NA +PJ107015 STTLMMMR C38H71N11O12S3 969.4446 NA PeJP NA NA +PJ107016 GSSNMRRY C38H63N15O13S 969.4451 NA PeJP NA NA +PJ107017 VLQMMYW C46H67N9O10S2 969.4453 NA PeJP NA NA +PJ107018 PPNDRWW C46H59N13O11 969.4457 NA PeJP NA NA +PJ107019 GGPPDRWW C46H59N13O11 969.4458 NA PeJP NA NA +PJ107020 CLFFFFF C54H63N7O8S 969.4459 NA PeJP NA NA +PJ107021 KMMMHHR C39H67N15O8S3 969.446 NA PeJP NA NA +PJ107022 GTLKEEMY C42H67N9O15S 969.4478 NA PeJP NA NA +PJ107023 SVLYYYY C50H63N7O13 969.4484 NA PeJP NA NA +PJ107024 GPLKMMMY C43H71N9O10S3 969.4486 NA PeJP NA NA +PJ107025 GGALLMMMF C43H71N9O10S3 969.4487 NA PeJP NA NA +PJ107026 SCQKRYW C43H63N13O11S 969.4491 NA PeJP NA NA +PJ107027 APPQWWW C51H59N11O9 969.4498 NA PeJP NA NA +PJ107028 SSSTTLLMM C39H71N9O15S2 969.4511 NA PeJP NA NA +PJ107029 SSSNKERY C39H63N13O16 969.4516 NA PeJP NA NA +PJ107030 GGGGGGGGAPVVE C39H63N13O16 969.4517 NA PeJP NA NA +PJ107031 SVLKMMMM C40H75N9O10S4 969.452 NA PeJP NA NA +PJ107032 VDMMRRY C40H67N13O11S2 969.4525 NA PeJP NA NA +PJ107033 SNDHRRW C40H59N17O12 969.4529 NA PeJP NA NA +PJ107034 GGSDHRRW C40H59N17O12 969.453 NA PeJP NA NA +PJ107035 GCKKYWW C48H63N11O9S 969.4531 NA PeJP NA NA +PJ107036 VFFWWW C56H59N9O7 969.4538 NA PeJP NA NA +PJ107037 SSSSSTKMR C36H67N13O16S 969.455 NA PeJP NA NA +PJ107038 GSSDKKYW C44H63N11O14 969.4556 NA PeJP NA NA +PJ107039 GGAPPKEEW C44H63N11O14 969.4557 NA PeJP NA NA +PJ107040 SSCKKMMR C37H71N13O11S3 969.4559 NA PeJP NA NA +PJ107041 NQEMHRR C37H63N17O12S 969.4563 NA PeJP NA NA +PJ107042 GGGGGGPPCRR C37H63N17O12S 969.4564 NA PeJP NA NA +PJ107043 ALMMRYW C45H67N11O9S2 969.4565 NA PeJP NA NA +PJ107044 GTQHRWW C45H59N15O10 969.457 NA PeJP NA NA +PJ107045 GTTLEMRY C41H67N11O14S 969.459 NA PeJP NA NA +PJ107046 TTTLYWW C49H63N9O12 969.4596 NA PeJP NA NA +PJ107047 GAPTLYYW C49H63N9O12 969.4597 NA PeJP NA NA +PJ107048 AALMMMFR C42H71N11O9S3 969.4599 NA PeJP NA NA +PJ107049 VNQMHRW C42H63N15O10S 969.4603 NA PeJP NA NA +PJ107050 GGVQMHRW C42H63N15O10S 969.4604 NA PeJP NA NA +PJ107051 QKHWWW C50H59N13O8 969.461 NA PeJP NA NA +PJ107052 SSSSSSSTLK C37H67N11O19 969.4615 NA PeJP NA NA +PJ107053 GSSTTKKMM C38H71N11O14S2 969.4624 NA PeJP NA NA +PJ107054 SSSSQRRY C38H63N15O15 969.4628 NA PeJP NA NA +PJ107055 GGSPPDERR C38H63N15O15 969.4629 NA PeJP NA NA +PJ107056 TLKEMYW C46H67N9O12S 969.463 NA PeJP NA NA +PJ107057 ACKKKMMM C39H75N11O9S4 969.4632 NA PeJP NA NA +PJ107058 VCCKKKMM C39H75N11O9S4 969.4633 NA PeJP NA NA +PJ107059 ALFFFYY C54H63N7O10 969.4637 NA PeJP NA NA +PJ107060 QQQHHHR C39H59N19O11 969.4642 NA PeJP NA NA +PJ107061 PPMHFRW C47H63N13O8S 969.4644 NA PeJP NA NA +PJ107062 STTLKEEY C42H67N9O17 969.4655 NA PeJP NA NA +PJ107063 GVLKEMMY C43H71N9O12S2 969.4664 NA PeJP NA NA +PJ107064 GSSSKRYW C43H63N13O13 969.4669 NA PeJP NA NA +PJ107065 CNEHRRR C36H63N19O11S 969.4676 NA PeJP NA NA +PJ107066 CCKKFRW C44H67N13O8S2 969.4677 NA PeJP NA NA +PJ107067 PTHHHRW C44H59N17O9 969.4682 NA PeJP NA NA +PJ107068 TTTTTTTLM C39H71N9O17S 969.4689 NA PeJP NA NA +PJ107069 GSTQKMRY C40H67N13O13S 969.4702 NA PeJP NA NA +PJ107070 GVLEEMHR C40H67N13O13S 969.4703 NA PeJP NA NA +PJ107071 SLLEHWW C48H63N11O11 969.4709 NA PeJP NA NA +PJ107072 VMMMFRR C41H71N13O8S3 969.4711 NA PeJP NA NA +PJ107073 GQMHRRW C41H63N17O9S 969.4716 NA PeJP NA NA +PJ107074 GSTQEHRR C37H63N17O14 969.4741 NA PeJP NA NA +PJ107075 SQKKMYW C45H67N11O11S 969.4742 NA PeJP NA NA +PJ107076 TTLMRYW C45H67N11O11S 969.4743 NA PeJP NA NA +PJ107077 GVLFYWW C53H63N9O9 969.4749 NA PeJP NA NA +PJ107078 APCCKHRR C38H67N17O9S2 969.475 NA PeJP NA NA +PJ107079 NNHHHRR C38H59N21O10 969.4754 NA PeJP NA NA +PJ107080 TTTTQQKY C41H67N11O16 969.4767 NA PeJP NA NA +PJ107081 STTTLERY C41H67N11O16 969.4768 NA PeJP NA NA +PJ107082 LKEMMRY C42H71N11O11S2 969.4776 NA PeJP NA NA +PJ107083 GGGPPPVKMM C42H71N11O11S2 969.4777 NA PeJP NA NA +PJ107084 GSPPDRRW C42H63N15O12 969.4781 NA PeJP NA NA +PJ107085 PVKMFYW C50H67N9O9S 969.4783 NA PeJP NA NA +PJ107086 SSSTTTKKM C38H71N11O16S 969.4801 NA PeJP NA NA +PJ107087 SSTTLLYW C46H67N9O14 969.4808 NA PeJP NA NA +PJ107088 SSKKKMMM C39H75N11O11S3 969.481 NA PeJP NA NA +3394 ACE inhibitor FPFEVFGK 969.481 celiac toxic Inhouse_peptide NA peptide +PJ107089 GSTCKRRY C39H67N15O12S 969.4815 NA PeJP NA NA +PJ107090 VLKMMYW C47H71N9O9S2 969.4817 NA PeJP NA NA +PJ107091 PPTQRWW C47H63N13O10 969.4821 NA PeJP NA NA +PJ107092 GCHRRRW C40H63N19O8S 969.4828 NA PeJP NA NA +PJ107093 SSLLKEMY C43H71N9O14S 969.4841 NA PeJP NA NA +PJ107094 VVTTKEMY C43H71N9O14S 969.4842 NA PeJP NA NA +PJ107095 GLLKMMMF C44H75N9O9S3 969.485 NA PeJP NA NA +PJ107096 GSSDHRRR C36H63N19O13 969.4853 NA PeJP NA NA +PJ107097 SCKKRYW C44H67N13O10S 969.4855 NA PeJP NA NA +PJ107098 APPKWWW C52H63N11O8 969.4861 NA PeJP NA NA +PJ107099 PVVHFWW C52H63N11O8 969.4862 NA PeJP NA NA +PJ107100 SSSDKKRY C40H67N13O15 969.488 NA PeJP NA NA +PJ107101 TLMMRRY C41H71N13O10S2 969.4889 NA PeJP NA NA +PJ107102 STQHRRW C41H63N17O11 969.4893 NA PeJP NA NA +PJ107103 GGGGPQRRW C41H63N17O11 969.4894 NA PeJP NA NA +PJ107104 VVLMHWW C49H67N11O8S 969.4895 NA PeJP NA NA +PJ107105 GSTTKKYW C45H67N11O13 969.492 NA PeJP NA NA +PJ107106 GPPCERRR C38H67N17O11S 969.4927 NA PeJP NA NA +PJ107107 CKKKMFW C46H71N11O8S2 969.4929 NA PeJP NA NA +PJ107108 GTKHRWW C46H63N15O9 969.4934 NA PeJP NA NA +2941 NA FGGFTGARKSKLKWDNQ 969.4944 MH2+ Inhouse_peptide NA peptide +PJ107109 SSTLLMRY C42H71N11O13S 969.4954 NA PeJP NA NA +PJ107110 PTLKYYW C50H67N9O11 969.496 NA PeJP NA NA +PJ107111 PPPVVEFW C50H67N9O11 969.4961 NA PeJP NA NA +PJ107112 PPQMRRW C43H67N15O9S 969.4967 NA PeJP NA NA +PJ107113 KKHWWW C51H63N13O7 969.4974 NA PeJP NA NA +PJ107114 SSSSKRRY C39H67N15O14 969.4992 NA PeJP NA NA +PJ107115 GGGPLEERR C39H67N15O14 969.4993 NA PeJP NA NA +PJ107116 PPVVLEMW C47H71N9O11S 969.4994 NA PeJP NA NA +PJ107117 APCKKMHR C40H71N15O9S2 969.5001 NA PeJP NA NA +PJ107118 VEHHHRR C40H63N19O10 969.5006 NA PeJP NA NA +PJ107119 SSSSTLLLY C43H71N9O16 969.5019 NA PeJP NA NA +2589 tenecin-1 (17-27) DAACAAHCLFR~ 969.5019 NA Inhouse_peptide NA peptide +PJ107120 ATLLKMMY C44H75N9O11S2 969.5028 NA PeJP NA NA +PJ107121 SSPTKKHW C44H67N13O12 969.5032 NA PeJP NA NA +PJ107122 GPPTKERW C44H67N13O12 969.5033 NA PeJP NA NA +PJ107123 SQMHRRR C37H67N19O10S 969.5039 NA PeJP NA NA +PJ107124 GGTMHRRR C37H67N19O10S 969.504 NA PeJP NA NA +PJ107125 VVHHHRW C45H63N17O8 969.5046 NA PeJP NA NA +PJ107126 GSTKKMRY C41H71N13O12S 969.5066 NA PeJP NA NA +PJ107127 GGGGAAPPKKM C41H71N13O12S 969.5067 NA PeJP NA NA +5436 bovine lactoferrin (LFb 17-30) FKCRRWQWRMKKLG 969.5072 MH2+ Inhouse_peptide NA peptide +PJ107128 PPKKEWW C49H67N11O10 969.5073 NA PeJP NA NA +PJ107129 PPCRRRW C42H67N17O8S 969.508 NA PeJP NA NA +PJ107130 PQEERRR C38H67N17O13 969.5105 NA PeJP NA NA +PJ107131 SKKKMYW C46H71N11O10S 969.5106 NA PeJP NA NA +PJ107132 GTLLLMHW C46H71N11O10S 969.5107 NA PeJP NA NA +PJ107133 PVKFFFW C54H67N9O8 969.5113 NA PeJP NA NA +3977 ACE inhibitor LDAQSAPLR 969.5119 ACE inhibitor Inhouse_peptide NA peptide +PJ107134 SSTKKKEY C42H71N11O15 969.5131 NA PeJP NA NA +PJ107135 PVVLEEER C42H71N11O15 969.5132 NA PeJP NA NA +PJ107136 AAKKKMMY C43H75N11O10S2 969.514 NA PeJP NA NA +PJ107137 PVQERRW C43H67N15O11 969.5145 NA PeJP NA NA +PJ107138 VLKMFFW C51H71N9O8S 969.5147 NA PeJP NA NA +PJ107139 SCHRRRR C36H67N21O9S 969.5152 NA PeJP NA NA +PJ107140 APLLLEEW C47H71N9O13 969.5172 NA PeJP NA NA +PJ107141 GPPKEMRR C40H71N15O11S 969.5179 NA PeJP NA NA +PJ107142 PPTKRWW C48H67N13O9 969.5185 NA PeJP NA NA +PJ107143 TTTLLKMY C44H75N9O13S 969.5205 NA PeJP NA NA +PJ107144 ASPPLLLEM C44H75N9O13S 969.5206 NA PeJP NA NA +PJ107145 PDDRRRR C37H67N19O12 969.5217 NA PeJP NA NA +PJ107146 GPPVKMRW C45H71N13O9S 969.5219 NA PeJP NA NA +PJ107147 SSTTKKRY C41H71N13O14 969.5244 NA PeJP NA NA +PJ107148 GLLLMMHR C42H75N13O9S2 969.5253 NA PeJP NA NA +PJ107149 APERRRW C42H67N17O10 969.5257 NA PeJP NA NA +PJ107150 STTLLLHW C46H71N11O12 969.5284 NA PeJP NA NA +PJ107151 GPPTMRRR C39H71N17O10S 969.5291 NA PeJP NA NA +PJ107152 GPLRRWW C47H67N15O8 969.5298 NA PeJP NA NA +PJ107153 ATTKKKMY C43H75N11O12S 969.5318 NA PeJP NA NA +PJ107154 VVLKYYW C51H71N9O10 969.5324 NA PeJP NA NA +PJ107155 PPKMRRW C44H71N15O8S 969.5331 NA PeJP NA NA +PJ107156 GPVKEERR C40H71N15O13 969.5356 NA PeJP NA NA +PJ107157 GGGGGGGGLLLR C40H71N15O13 969.5357 NA PeJP NA NA +PJ107158 PPTLLLMW C48H75N9O10S 969.5358 NA PeJP NA NA +PJ107159 AQHFRRR C41H67N19O9 969.537 NA PeJP NA NA +PJ107160 PLLLKEEE C44H75N9O15 969.5383 NA PeJP NA NA +PJ107161 GPPVLLLMM C45H79N9O10S2 969.5392 NA PeJP NA NA +PJ107162 SSPPLKRW C45H71N13O11 969.5396 NA PeJP NA NA +PJ107163 AAPLKERW C45H71N13O11 969.5397 NA PeJP NA NA +PJ107164 SKMHRRR C38H71N19O9S 969.5403 NA PeJP NA NA +PJ107165 STLLLMHR C42H75N13O11S 969.543 NA PeJP NA NA +PJ107166 PLLQKWW C50H71N11O9 969.5437 NA PeJP NA NA +PJ107167 ATTTKHRR C39H71N17O12 969.5468 NA PeJP NA NA +PJ107168 PKEERRR C39H71N17O12 969.5469 NA PeJP NA NA +PJ107169 APPLKKMW C47H75N11O9S 969.547 NA PeJP NA NA +8334 f(30-37) of alpha S1 casein VLNENLLR 969.5488 NA ;SYN:(2S,4R)-4-hydroxy-2-pyrrolidinecarboxylic acid; (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid; (4R)-4-hydroxy-L-proline; 4-Hydroxy-2-pyrrolidinecarboxylic acid; 4-Hydroxy-L-proline; 4-Hydroxyproline; 4-L-Hydroxyproline; Hydroxy-l-proline; hydroxy-proline; Hydroxyproline; hydroxiproline; L-4-Hydroxyproline; L-hydroxyproline; L-threo-4-hydroxyproline; LS-hydroxyproline; Oxaceprol; Trans-hydroxyproline; Trans-l-hydroxyproline; delta-hydroxyproline; trans-4-Hydroxy-L-proline; trans-4-HydroxyprolineH2Blood; Urine Inhouse_peptide NA peptide +PJ107170 TTTTKKKY C43H75N11O14 969.5495 NA PeJP NA NA +PJ107171 AAPVVKKEE C43H75N11O14 969.5496 NA PeJP NA NA +PJ107172 PPLLLMMR C44H79N11O9S2 969.5504 NA PeJP NA NA +PJ107173 PVKERRW C44H71N15O10 969.5509 NA PeJP NA NA +PJ107174 SPLLLLEW C48H75N9O12 969.5536 NA PeJP NA NA +PJ107175 SPPVKMRR C41H75N15O10S 969.5543 NA PeJP NA NA +PJ107176 PVVKRWW C49H71N13O8 969.5549 NA PeJP NA NA +PJ107177 AAPLLLLEM C45H79N9O12S 969.5569 NA PeJP NA NA +PJ107178 PTERRRR C38H71N19O11 969.5581 NA PeJP NA NA +PJ107179 LKKKMHW C46H75N13O8S 969.5583 NA PeJP NA NA +PJ107180 APLKKEER C42H75N13O13 969.5608 NA PeJP NA NA +PJ107181 SPLRRRW C43H71N17O9 969.5621 NA PeJP NA NA +PJ107182 GPLLKKEW C47H75N11O11 969.5648 NA PeJP NA NA +PJ107183 AAPLMRRR C40H75N17O9S 969.5655 NA PeJP NA NA +PJ107184 PVLLLEMR C44H79N11O11S 969.5682 NA PeJP NA NA +PJ107185 PPVVLLFW C52H75N9O9 969.5688 NA PeJP NA NA +PJ107186 AQQRRRR C37H71N21O10 969.5693 NA PeJP NA NA +PJ107187 APTLKERR C41H75N15O12 969.572 NA PeJP NA NA +PJ107188 PVVLLLMW C49H79N9O9S 969.5722 NA PeJP NA NA +PJ107189 KKKHHHR C42H71N19O8 969.5733 NA PeJP NA NA +PJ107190 AKHFRRR C42H71N19O8 969.5734 NA PeJP NA NA +PJ107191 LLLLLQEE C45H79N9O14 969.5747 NA PeJP NA NA +PJ107192 GPTLLKRW C46H75N13O10 969.576 NA PeJP NA NA +PJ107193 PVMRRRR C39H75N19O8S 969.5767 NA PeJP NA NA +PJ107194 PPTLKKMR C43H79N13O10S 969.5794 NA PeJP NA NA +PJ107195 PLLKKWW C51H75N11O8 969.5801 NA PeJP NA NA +PJ107196 GNRRRRR C36H71N23O9 969.5806 NA PeJP NA NA +PJ107197 LLQERRR C40H75N17O11 969.5832 NA PeJP NA NA +PJ107198 GALLERRR C40H75N17O11 969.5833 NA PeJP NA NA +PJ107199 VVLLLEER C44H79N11O13 969.5859 NA PeJP NA NA +PJ107200 VLLQRRW C45H75N15O9 969.5873 NA PeJP NA NA +PJ107201 VVVLLLEW C49H79N9O11 969.5899 NA PeJP NA NA +PJ107202 ALLLLLEW C49H79N9O11 969.59 NA PeJP NA NA +PJ107203 GPLLKMRR C42H79N15O9S 969.5906 NA PeJP NA NA +PJ107204 GPTLLLLLM C46H83N9O11S 969.5933 NA PeJP NA NA +PJ107205 VVERRRR C39H75N19O10 969.5945 NA PeJP NA NA +PJ107206 SPLLKKER C43H79N13O12 969.5972 NA PeJP NA NA +PJ107207 ALLRRRW C44H75N17O8 969.5985 NA PeJP NA NA +PJ107208 SPVLLKKW C48H79N11O10 969.6012 NA PeJP NA NA +PJ107209 PLLLQKKM C45H83N11O10S 969.6046 NA PeJP NA NA +PJ107210 AQKRRRR C38H75N21O9 969.6057 NA PeJP NA NA +PJ107211 GVLLKERR C42H79N15O11 969.6084 NA PeJP NA NA +PJ107212 LLLLLKEE C46H83N9O13 969.6111 NA PeJP NA NA +PJ107213 AALLLKRW C47H79N13O9 969.6124 NA PeJP NA NA +PJ107214 PVVLKKMR C44H83N13O9S 969.6158 NA PeJP NA NA +PJ107215 LLKERRR C41H79N17O10 969.6196 NA PeJP NA NA +PJ107216 TLLLLLER C45H83N11O12 969.6223 NA PeJP NA NA +PJ107217 PKKKKRW C46H79N15O8 969.6236 NA PeJP NA NA +PJ107218 VLLKRRW C46H79N15O8 969.6237 NA PeJP NA NA +PJ107219 SLLLLLLW C50H83N9O10 969.6263 NA PeJP NA NA +PJ107220 AALLLLLLM C47H87N9O10S 969.6297 NA PeJP NA NA +PJ107221 TLLRRRR C40H79N19O9 969.6309 NA PeJP NA NA +PJ107222 ALLLKKER C44H83N13O11 969.6335 NA PeJP NA NA +PJ107223 VVLLDKKR C44H83N13O11 969.6336 NA PeJP NA NA +PJ107224 GLLLLKKW C49H83N11O9 969.6376 NA PeJP NA NA +PJ107225 VLLLLLMR C46H87N11O9S 969.6409 NA PeJP NA NA +PJ107226 AKKRRRR C39H79N21O8 969.6421 NA PeJP NA NA +PJ107227 ATLLLKRR C43H83N15O10 969.6448 NA PeJP NA NA +PJ107228 ATTLLLLLL C47H87N9O12 969.6475 NA PeJP NA NA +PJ107229 AALKKKRR C42H83N17O9 969.656 NA PeJP NA NA +PJ107230 VLLLKKKE C46H87N11O11 969.6587 NA PeJP NA NA +PJ107231 VKKKRRR C41H83N19O8 969.6673 NA PeJP NA NA +PJ107232 SLLLLKKR C45H87N13O10 969.6699 NA PeJP NA NA +PJ107233 GLLKKKKR C44H87N15O9 969.6812 NA PeJP NA NA +PJ107234 VVLKKKKK C46H91N13O9 969.7063 NA PeJP NA NA +2679 NA GGDYHCRMGPLTWVCKPLGG 969.97715 MH2+ Inhouse_peptide NA peptide +2597 tachylepsin II from homocytes of horse shoe crab RWCFRVCYRGICYRRCRG 970.0365 MH2+ Inhouse_peptide NA peptide +MJ098909 Amariinic acid C41H30O28 970.09236 NA MeJP NA NA +MJ098910 Mallotinin C41H30O28 970.09236 NA MeJP NA NA +MJ098911 Phyllanthusiin B C41H30O28 970.09236 NA MeJP NA NA +MJ098912 Repandusinic acid A C41H30O28 970.09236 NA MeJP NA NA +MJ098913 Valolaginic acid C41H30O28 970.09236 NA MeJP NA NA +PJ107235 CCCCCCCCQ C29H50N10O11S8 970.1427 NA PeJP NA NA +PJ107236 GSSCCCCCCC C29H50N10O13S7 970.1604 NA PeJP NA NA +PJ107237 CCCCCCCCK C30H54N10O10S8 970.1791 NA PeJP NA NA +PJ107238 GCCCCCCNY C33H50N10O12S6 970.1934 NA PeJP NA NA +PJ107239 CCCCDMMY C35H54N8O12S6 970.2186 NA PeJP NA NA +PJ107240 GCCCCCNEH C32H50N12O13S5 970.2224 NA PeJP NA NA +PJ107241 GCCNDDDDD C32H46N10O21S2 970.2281 NA PeJP NA NA +PJ107242 CCCCDDFY C38H50N8O14S4 970.233 NA PeJP NA NA +PJ107243 CCCCMMMF C36H58N8O9S7 970.2372 NA PeJP NA NA +PJ107244 CCCCCNHW C36H50N12O10S5 970.2377 NA PeJP NA NA +PJ107245 SSCCCCNDH C32H50N12O15S4 970.2402 NA PeJP NA NA +PJ107246 SPCCCNDDD C33H50N10O18S3 970.2467 NA PeJP NA NA +PJ107247 CCCDEMMH C34H54N10O13S5 970.2476 NA PeJP NA NA +PJ107248 SCCCDDYY C38H50N8O16S3 970.2507 NA PeJP NA NA +PJ107249 CCCCDMFF C39H54N8O11S5 970.2516 NA PeJP NA NA +PJ107250 DDDDDDMM C34H50N8O21S2 970.2532 NA PeJP NA NA +PJ107251 SCCCMMMY C36H58N8O11S6 970.255 NA PeJP NA NA +PJ107252 GCCCNNNDE C32H50N12O17S3 970.2579 NA PeJP NA NA +PJ107253 GGGCCCNNDE C32H50N12O17S3 970.258 NA PeJP NA NA +PJ107254 GSCCCCQMH C33H54N12O12S5 970.2588 NA PeJP NA NA +PJ107255 CCCDDEHF C37H50N10O15S3 970.262 NA PeJP NA NA +PJ107256 GPPCCCCCW C38H54N10O10S5 970.2628 NA PeJP NA NA +PJ107257 GSCNDDDDM C33H50N10O20S2 970.2645 NA PeJP NA NA +PJ107258 GPCCCNDEM C34H54N10O15S4 970.2653 NA PeJP NA NA +PJ107259 GGGPCCCDEM C34H54N10O15S4 970.2654 NA PeJP NA NA +PJ107260 CCCCEHHH C35H50N14O11S4 970.2667 NA PeJP NA NA +PJ107261 DDDDDDDF C37H46N8O23 970.2676 NA PeJP NA NA +PJ107262 GCCCEMYY C39H54N8O13S4 970.2694 NA PeJP NA NA +PJ107263 GSCCCCCHR C32H54N14O11S5 970.2701 NA PeJP NA NA +PJ107264 CDDDDDHH C35H46N12O19S 970.2723 NA PeJP NA NA +PJ107265 CCCNNNDW C36H50N12O14S3 970.2732 NA PeJP NA NA +PJ107266 SSCCNNNDD C32H50N12O19S2 970.2757 NA PeJP NA NA +PJ107267 GPCCCCDDR C33H54N12O14S4 970.2766 NA PeJP NA NA +PJ107268 SCCNDDEW C37H50N10O17S2 970.2797 NA PeJP NA NA +PJ107269 PCCCNDMW C38H54N10O12S4 970.2806 NA PeJP NA NA +PJ107270 SSSCNDDDE C33H50N10O22S 970.2822 NA PeJP NA NA +PJ107271 CNNDDEMM C34H54N10O17S3 970.2831 NA PeJP NA NA +PJ107272 SCCEMMMH C35H58N10O12S5 970.284 NA PeJP NA NA +PJ107273 CCCMYYW C43H54N8O10S4 970.2846 NA PeJP NA NA +PJ107274 PCDDDDEY C38H50N8O20S 970.2863 NA PeJP NA NA +PJ107275 SSCCDMYY C39H54N8O15S3 970.2871 NA PeJP NA NA +PJ107276 ACCCMMFY C40H58N8O10S5 970.288 NA PeJP NA NA +C11502 Mycothione C34H58N4O24S2 970.2882 NA KEGG NA NA +MJ098914 2-(N-Acetylcysteinyl)amido-2-deoxy-?-D-glucopyranosyl-D-myo-inositol disulfide C34H58N4O24S2 970.28824 NA MeJP NA NA +MetaCyc04349 mycothione [mycothione;2-acetylamino-3-[2-acetylamino-2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexoxy)-tetrahydropyran-3-yl]carbamoyl]ethyl]disulfanyl-N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexoxy)-tetrahydropyran-3-yl]-propanamide;MSSM;mycothiol disulfide;] C34H58N4O24S2 970.28824 NA metacyc NA NA +PJ107277 SDDDEEMM C35H54N8O20S2 970.2896 NA PeJP NA NA +PJ107278 PCDDEMMM C36H58N8O15S4 970.2905 NA PeJP NA NA +PJ107279 CCCNNMHF C37H54N12O11S4 970.2918 NA PeJP NA NA +PJ107280 CCNDDDMR C33H54N12O16S3 970.2943 NA PeJP NA NA +PJ107281 GGGGGGGSCCEM C33H54N12O16S3 970.2944 NA PeJP NA NA +PJ107282 GSCCDDWW C41H50N10O14S2 970.295 NA PeJP NA NA +PJ107283 SPPCCCCCR C34H58N12O11S5 970.2952 NA PeJP NA NA +PJ107284 APCCCCWW C42H54N10O9S4 970.2959 NA PeJP NA NA +PJ107285 GSSSCDDDW C37H50N10O19S 970.2975 NA PeJP NA NA +PJ107286 ASSPCCCDW C38H54N10O14S3 970.2983 NA PeJP NA NA +PJ107287 GCNDDMMW C38H54N10O14S3 970.2984 NA PeJP NA NA +PJ107288 PCCCMMHF C39H58N10O9S5 970.2992 NA PeJP NA NA +PJ107289 GSSSSSDDDD C33H50N10O24 970.3 NA PeJP NA NA +PJ107290 ASSCNDDEM C34H54N10O19S2 970.3008 NA PeJP NA NA +PJ107291 GSSNDDDMM C34H54N10O19S2 970.3009 NA PeJP NA NA +PJ107292 GSPCCNEMM C35H58N10O14S4 970.3017 NA PeJP NA NA +PJ107293 CCNNDEHH C35H50N14O15S2 970.3022 NA PeJP NA NA +PJ107294 GPCCCYYY C43H54N8O12S3 970.3024 NA PeJP NA NA +PJ107295 GCMMMMMH C36H62N10O9S6 970.3026 NA PeJP NA NA +PJ107296 TCCCMHHH C36H54N14O10S4 970.3031 NA PeJP NA NA +PJ107297 GDDDEEEY C38H50N8O22 970.304 NA PeJP NA NA +PJ107298 PCDDDEMF C39H54N8O17S2 970.3049 NA PeJP NA NA +PJ107299 GSCCCNNDR C32H54N14O15S3 970.3056 NA PeJP NA NA +PJ107300 GTCCMMYY C40H58N8O12S4 970.3057 NA PeJP NA NA +PJ107301 GDEEEMMM C36H58N8O17S3 970.3083 NA PeJP NA NA +PJ107302 CNNNNDDY C36H50N12O18S 970.3087 NA PeJP NA NA +PJ107303 GCCCDERW C37H54N12O13S3 970.3096 NA PeJP NA NA +PJ107304 GSSCCDDER C33H54N12O18S2 970.3121 NA PeJP NA NA +PJ107305 GCNDDDFW C41H50N10O16S 970.3127 NA PeJP NA NA +PJ107306 GGGCDDDFW C41H50N10O16S 970.3128 NA PeJP NA NA +PJ107307 CNNNNMMM C34H58N12O13S4 970.3129 NA PeJP NA NA +PJ107308 GSPCCCDMR C34H58N12O13S4 970.313 NA PeJP NA NA +PJ107309 CCNEMWW C42H54N10O11S3 970.3136 NA PeJP NA NA +PJ107310 SNNDDDEY C37H50N10O21 970.3152 NA PeJP NA NA +PJ107311 GGGGSDDDEY C37H50N10O21 970.3153 NA PeJP NA NA +PJ107312 SSCNDEMW C38H54N10O16S2 970.3161 NA PeJP NA NA +PJ107313 SPCCNMMW C39H58N10O11S4 970.317 NA PeJP NA NA +PJ107314 GCCNDHHW C39H50N14O12S2 970.3175 NA PeJP NA NA +PJ107315 CCCFFYW C47H54N8O9S3 970.3176 NA PeJP NA NA +PJ107316 SSSSNDDEM C34H54N10O21S 970.3186 NA PeJP NA NA +PJ107317 DDDEEYW C42H50N8O19 970.3193 NA PeJP NA NA +PJ107318 SNNDEMMM C35H58N10O16S3 970.3195 NA PeJP NA NA +PJ107319 GSSCNDDHH C35H50N14O17S 970.32 NA PeJP NA NA +PJ107320 CNDMYYY C43H54N8O14S2 970.3201 NA PeJP NA NA +PJ107321 STCMMMMH C36H62N10O11S5 970.3203 NA PeJP NA NA +PJ107322 GGPCNMMMM C36H62N10O11S5 970.3204 NA PeJP NA NA +PJ107323 GSPCCCQHH C36H54N14O12S3 970.3208 NA PeJP NA NA +PJ107324 ACCCMFFF C44H58N8O9S4 970.321 NA PeJP NA NA +PJ107325 SPDDDEMY C39H54N8O19S 970.3226 NA PeJP NA NA +PJ107326 DEEMMMW C40H58N8O14S3 970.3235 NA PeJP NA NA +PJ107327 CCCNNQMR C33H58N14O12S4 970.3242 NA PeJP NA NA +PJ107328 CCCDRWW C41H54N12O10S3 970.3248 NA PeJP NA NA +PJ107329 SSEEEEMM C36H58N8O19S2 970.326 NA PeJP NA NA +PJ107330 GSPNDDDDH C36H50N12O20 970.3265 NA PeJP NA NA +PJ107331 SPDEMMMM C37H62N8O14S4 970.3269 NA PeJP NA NA +PJ107332 SSCCDDRW C37H54N12O15S2 970.3273 NA PeJP NA NA +PJ107333 GGGGGSSTCCW C37H54N12O15S2 970.3274 NA PeJP NA NA +PJ107334 PPCMMMMM C38H66N8O9S6 970.3277 NA PeJP NA NA +PJ107335 PTCCCCRW C38H58N12O10S4 970.3282 NA PeJP NA NA +PJ107336 GCCMWWW C46H54N10O8S3 970.3289 NA PeJP NA NA +PJ107337 SSSSCDDDR C33H54N12O20S 970.3298 NA PeJP NA NA +PJ107338 GGGGGSSSSSCE C33H54N12O20S 970.3299 NA PeJP NA NA +PJ107339 GSNDDDYW C41H50N10O18 970.3305 NA PeJP NA NA +PJ107340 SCNDDMMR C34H58N12O15S3 970.3307 NA PeJP NA NA +PJ107341 GSSCDMWW C42H54N10O13S2 970.3314 NA PeJP NA NA +PJ107342 PCCCQMMR C35H62N12O10S5 970.3316 NA PeJP NA NA +PJ107343 GSSSSDDMW C38H54N10O18S 970.3339 NA PeJP NA NA +PJ107344 GSNDMMMW C39H58N10O13S3 970.3347 NA PeJP NA NA +PJ107345 GGGGPCDMMF C39H58N10O13S3 970.3348 NA PeJP NA NA +PJ107346 ACCYYYW C47H54N8O11S2 970.3354 NA PeJP NA NA +PJ107347 GCCMHHHF C40H54N14O9S3 970.3361 NA PeJP NA NA +PJ107348 GSSSSSSDEE C34H54N10O23 970.3364 NA PeJP NA NA +PJ107349 GSSSNEEMM C35H58N10O18S2 970.3372 NA PeJP NA NA +PJ107350 NNNNDDEH C35H50N14O19 970.3377 NA PeJP NA NA +PJ107351 DDEEMFW C43H54N8O16S 970.3379 NA PeJP NA NA +PJ107352 GNQEMMMM C36H62N10O13S4 970.3381 NA PeJP NA NA +PJ107353 SCNNEMHH C36H54N14O14S2 970.3386 NA PeJP NA NA +PJ107354 CNMMFYY C44H58N8O11S3 970.3387 NA PeJP NA NA +PJ107355 GGCMMFYY C44H58N8O11S3 970.3388 NA PeJP NA NA +PJ107356 GSEEEEEY C39H54N8O21 970.3404 NA PeJP NA NA +PJ107357 GPDEEMMY C40H58N8O16S2 970.3413 NA PeJP NA NA +PJ107358 GDDDEHHF C40H50N12O17 970.3417 NA PeJP NA NA +PJ107359 GSSCCNNMR C33H58N14O14S3 970.3419 NA PeJP NA NA +PJ107360 SCCCDERR C33H58N14O14S3 970.342 NA PeJP NA NA +PJ107361 PPCDMMMF C41H62N8O11S4 970.3421 NA PeJP NA NA +PJ107362 GCCNNQFW C41H54N12O12S2 970.3426 NA PeJP NA NA +PJ107363 PCCCCMRR C34H62N14O9S5 970.3428 NA PeJP NA NA +PJ107364 ATEEEMMM C37H62N8O16S3 970.3446 NA PeJP NA NA +PJ107365 SSSSSCNNW C37H54N12O17S 970.3451 NA PeJP NA NA +PJ107366 APEMMMMM C38H66N8O11S5 970.3455 NA PeJP NA NA +PJ107367 GSCCEMRW C38H58N12O12S3 970.346 NA PeJP NA NA +PJ107368 ACDDHHHH C38H50N16O13S 970.3464 NA PeJP NA NA +PJ107369 GCDEHHHH C38H50N16O13S 970.3465 NA PeJP NA NA +PJ107370 STCCWWW C46H54N10O10S2 970.3466 NA PeJP NA NA +PJ107371 SSSSSSSNND C33H54N12O22 970.3476 NA PeJP NA NA +PJ107372 SSSTCCQQQ C34H58N12O17S2 970.3484 NA PeJP NA NA +PJ107373 GSSSCDEMR C34H58N12O17S2 970.3485 NA PeJP NA NA +PJ107374 SSSSCEWW C42H54N10O15S 970.3491 NA PeJP NA NA +PJ107375 GCNEMMMR C35H62N12O12S4 970.3493 NA PeJP NA NA +PJ107376 GGGCEMMMR C35H62N12O12S4 970.3494 NA PeJP NA NA +PJ107377 SCCNDHHR C35H54N16O13S2 970.3498 NA PeJP NA NA +PJ107378 SCQMMWW C43H58N10O10S3 970.35 NA PeJP NA NA +PJ107379 SSSSSSDEW C38H54N10O20 970.3516 NA PeJP NA NA +PJ107380 SSSNEMMW C39H58N10O15S2 970.3525 NA PeJP NA NA +PJ107381 GNNNDDHW C39H50N14O16 970.353 NA PeJP NA NA +PJ107382 SSCYYYW C47H54N8O13S 970.3531 NA PeJP NA NA +PJ107383 NQMMMMW C40H62N10O10S4 970.3533 NA PeJP NA NA +PJ107384 GGQMMMMW C40H62N10O10S4 970.3534 NA PeJP NA NA +PJ107385 GSCNMHHW C40H54N14O11S2 970.3538 NA PeJP NA NA +PJ107386 GGGGPCCHHF C40H54N14O11S2 970.3539 NA PeJP NA NA +PJ107387 SSSSSQEEM C35H58N10O20S 970.355 NA PeJP NA NA +PJ107388 SEEEEYW C43H54N8O18 970.3556 NA PeJP NA NA +PJ107389 GPDDEEFY C43H54N8O18 970.3557 NA PeJP NA NA +PJ107390 SSQQEMMM C36H62N10O15S3 970.3559 NA PeJP NA NA +PJ107391 PCNDDDHR C36H54N14O16S 970.3563 NA PeJP NA NA +PJ107392 GGPCDDDHR C36H54N14O16S 970.3564 NA PeJP NA NA +PJ107393 PDEMMYW C44H58N8O13S2 970.3565 NA PeJP NA NA +PJ107394 PCCQKMMM C37H66N10O10S5 970.3567 NA PeJP NA NA +PJ107395 DDDHHFW C44H50N12O14 970.357 NA PeJP NA NA +PJ107396 GNNMMMHH C37H58N14O11S3 970.3572 NA PeJP NA NA +PJ107397 AAEEEEMY C40H58N8O18S 970.359 NA PeJP NA NA +PJ107398 SSSSCCNQR C33H58N14O16S2 970.3597 NA PeJP NA NA +PJ107399 SPPDMMMY C41H62N8O13S3 970.3599 NA PeJP NA NA +PJ107400 GSCNNQYW C41H54N12O14S 970.3603 NA PeJP NA NA +PJ107401 CNDDRYW C41H54N12O14S 970.3604 NA PeJP NA NA +PJ107402 GCCDMMRR C34H62N14O11S4 970.3606 NA PeJP NA NA +PJ107403 SCCMRWW C42H58N12O9S3 970.3612 NA PeJP NA NA +PJ107404 CDHHHHW C42H50N16O10S 970.3617 NA PeJP NA NA +PJ107405 TTTEEEMM C37H62N8O18S2 970.3624 NA PeJP NA NA +PJ107406 GSSSNNNEY C37H54N12O19 970.3628 NA PeJP NA NA +PJ107407 SSNDDDRY C37H54N12O19 970.3629 NA PeJP NA NA +PJ107408 GLEEMMMM C38H66N8O13S4 970.3633 NA PeJP NA NA +PJ107409 SSSCDMRW C38H58N12O14S2 970.3637 NA PeJP NA NA +PJ107410 GGGGGGGGAMMY C38H58N12O14S2 970.3638 NA PeJP NA NA +PJ107411 SSDDHHHH C38H50N16O15 970.3642 NA PeJP NA NA +PJ107412 GNDMYWW C46H54N10O12S 970.3644 NA PeJP NA NA +PJ107413 CNMMMRW C39H62N12O9S4 970.3646 NA PeJP NA NA +PJ107414 PTCCHHHH C39H54N16O10S2 970.3651 NA PeJP NA NA +PJ107415 SSSSSDDMR C34H58N12O19S 970.3662 NA PeJP NA NA +PJ107416 GSSNEEYW C42H54N10O17 970.3669 NA PeJP NA NA +PJ107417 SSNDMMMR C35H62N12O14S3 970.3671 NA PeJP NA NA +PJ107418 NNNNNNMH C35H54N16O15S 970.3676 NA PeJP NA NA +PJ107419 GSSSMMWW C43H58N10O12S2 970.3677 NA PeJP NA NA +PJ107420 GGGPTCMYW C43H58N10O12S2 970.3678 NA PeJP NA NA +PJ107421 PCCCKMMR C36H66N12O9S5 970.368 NA PeJP NA NA +PJ107422 GCCQMHHR C36H58N16O10S3 970.3684 NA PeJP NA NA +PJ107423 GGACCMHHR C36H58N16O10S3 970.3685 NA PeJP NA NA +PJ107424 GSSSSTEMW C39H58N10O17S 970.3702 NA PeJP NA NA +PJ107425 DEEEMRY C39H58N10O17S 970.3703 NA PeJP NA NA +PJ107426 PDDEFYW C47H54N8O15 970.3709 NA PeJP NA NA +PJ107427 GSTQMMMW C40H62N10O12S3 970.3711 NA PeJP NA NA +PJ107428 SSSCQHHW C40H54N14O13S 970.3716 NA PeJP NA NA +PJ107429 CNMFFFY C48H58N8O10S2 970.3718 NA PeJP NA NA +PJ107430 GSSSSSTTEE C35H58N10O22 970.3727 NA PeJP NA NA +PJ107431 GSSSDKEMM C36H62N10O17S2 970.3736 NA PeJP NA NA +PJ107432 GNDDEEHR C36H54N14O18 970.3741 NA PeJP NA NA +PJ107433 VDEEMYW C44H58N8O15S 970.3743 NA PeJP NA NA +PJ107434 GNKEMMMM C37H66N10O12S4 970.3745 NA PeJP NA NA +PJ107435 ACCNNQRY C37H58N14O13S2 970.3749 NA PeJP NA NA +PJ107436 GCNNNMRY C37H58N14O13S2 970.375 NA PeJP NA NA +PJ107437 PEMMMFW C45H62N8O10S3 970.3751 NA PeJP NA NA +MJ098915 Chlorothricin; 2A?-Hydroxy C50H63ClO17 970.375378 NA MeJP NA NA +PJ107438 PCNEHWW C45H54N12O11S 970.3756 NA PeJP NA NA +PJ107439 ATTEEEEY C40H58N8O20 970.3768 NA PeJP NA NA +PJ107440 GSSSSSSCNR C33H58N14O18S 970.3775 NA PeJP NA NA +PJ107441 APTEEMMY C41H62N8O15S2 970.3776 NA PeJP NA NA +PJ107442 GVEEEMMF C41H62N8O15S2 970.3777 NA PeJP NA NA +PJ107443 SSSNNNYW C41H54N12O16 970.3781 NA PeJP NA NA +PJ107444 SSCCEMRR C34H62N14O13S3 970.3783 NA PeJP NA NA +PJ107445 LEMMMMW C42H66N8O10S4 970.3785 NA PeJP NA NA +PJ107446 GSPCCRYW C42H58N12O11S2 970.379 NA PeJP NA NA +PJ107447 CQYWWW C50H54N10O9S 970.3796 NA PeJP NA NA +PJ107448 GCCCHHRR C35H58N18O9S3 970.3797 NA PeJP NA NA +PJ107449 STLEEMMM C38H66N8O15S3 970.381 NA PeJP NA NA +PJ107450 GSNDEMRY C38H58N12O16S 970.3815 NA PeJP NA NA +PJ107451 SPLMMMMM C39H70N8O10S5 970.3819 NA PeJP NA NA +PJ107452 SSNEYWW C46H54N10O14 970.3821 NA PeJP NA NA +PJ107453 GGGGDEFFW C46H54N10O14 970.3822 NA PeJP NA NA +PJ107454 GSTCMMRW C39H62N12O11S3 970.3824 NA PeJP NA NA +PJ107455 GSEMHHHH C39H54N16O12S 970.3828 NA PeJP NA NA +PJ107456 GNMMFWW C47H58N10O9S2 970.383 NA PeJP NA NA +PJ107457 SSSSSSSSQQ C34H58N12O21 970.384 NA PeJP NA NA +PJ107458 SSSSCCLER C35H62N12O16S2 970.3848 NA PeJP NA NA +PJ107459 GSSSSEMMR C35H62N12O16S2 970.3849 NA PeJP NA NA +PJ107460 SNNNDDHR C35H54N16O17 970.3853 NA PeJP NA NA +PJ107461 GGGGGGSDDHR C35H54N16O17 970.3854 NA PeJP NA NA +PJ107462 SSSSTMWW C43H58N10O14S 970.3855 NA PeJP NA NA +PJ107463 GSQMMMMR C36H66N12O11S4 970.3857 NA PeJP NA NA +PJ107464 NYYYYW C51H54N8O12 970.3861 NA PeJP NA NA +PJ107465 SSCNMHHR C36H58N16O12S2 970.3862 NA PeJP NA NA +PJ107466 SCKMMWW C44H62N10O9S3 970.3864 NA PeJP NA NA +PJ107467 CNQHHFW C44H54N14O10S 970.3868 NA PeJP NA NA +PJ107468 GGCQHHFW C44H54N14O10S 970.3869 NA PeJP NA NA +PJ107469 SSSSSTTEW C39H58N10O19 970.388 NA PeJP NA NA +PJ107470 SSSDKMMW C40H62N10O14S2 970.3889 NA PeJP NA NA +PJ107471 GSSSSSHHW C40H54N14O15 970.3893 NA PeJP NA NA +PJ107472 NDDEHRW C40H54N14O15 970.3894 NA PeJP NA NA +PJ107473 PPDMYYW C48H58N8O12S 970.3895 NA PeJP NA NA +PJ107474 NKMMMMW C41H66N10O9S4 970.3897 NA PeJP NA NA +PJ107475 GGKMMMMW C41H66N10O9S4 970.3898 NA PeJP NA NA +PJ107476 GTCCKHHW C41H58N14O10S2 970.3902 NA PeJP NA NA +PJ107477 GPCHWWW C49H54N12O8S 970.3909 NA PeJP NA NA +PJ107478 SSSSSKEEM C36H62N10O19S 970.3914 NA PeJP NA NA +PJ107479 SSSTTYYY C44H58N8O17 970.392 NA PeJP NA NA +PJ107480 SSQKEMMM C37H66N10O14S3 970.3922 NA PeJP NA NA +PJ107481 GGSTKEMMM C37H66N10O14S3 970.3923 NA PeJP NA NA +PJ107482 GSCDDRRY C37H58N14O15S 970.3927 NA PeJP NA NA +PJ107483 GGGGGGGGVEMH C37H58N14O15S 970.3928 NA PeJP NA NA +PJ107484 VEEMMFW C45H62N8O12S2 970.3929 NA PeJP NA NA +PJ107485 PCCKKMMM C38H70N10O9S5 970.3931 NA PeJP NA NA +PJ107486 GQEEHWW C45H54N12O13 970.3934 NA PeJP NA NA +PJ107487 APCCCRRY C38H62N14O10S3 970.3936 NA PeJP NA NA +PJ107488 ACCFRWW C46H58N12O8S2 970.3942 NA PeJP NA NA +PJ107489 GTLEEEMY C41H62N8O17S 970.3954 NA PeJP NA NA +PJ107490 SSSSCCNKR C34H62N14O15S2 970.3961 NA PeJP NA NA +PJ107491 GPLEMMMY C42H66N8O12S3 970.3963 NA PeJP NA NA +PJ107492 SNDMRYW C42H58N12O13S 970.3967 NA PeJP NA NA +PJ107493 GGGGGSCKYW C42H58N12O13S 970.3968 NA PeJP NA NA +PJ107494 GSCMMMRR C35H66N14O10S4 970.397 NA PeJP NA NA +PJ107495 GSSYWWW C50H54N10O11 970.3974 NA PeJP NA NA +PJ107496 VMMMHHW C43H62N12O8S3 970.3976 NA PeJP NA NA +PJ107497 SMHHHHW C43H54N16O9S 970.3981 NA PeJP NA NA +PJ107498 SSSNEERY C38H58N12O18 970.3992 NA PeJP NA NA +PJ107499 GGGGGSSSDKY C38H58N12O18 970.3993 NA PeJP NA NA +PJ107500 SVLEMMMM C39H70N8O12S4 970.3996 NA PeJP NA NA +PJ107501 SSSSMMRW C39H62N12O13S2 970.4001 NA PeJP NA NA +PJ107502 SSTEHHHH C39H54N16O14 970.4006 NA PeJP NA NA +PJ107503 ASQMYWW C47H58N10O11S 970.4007 NA PeJP NA NA +PJ107504 GTQMYWW C47H58N10O11S 970.4008 NA PeJP NA NA +PJ107505 AAMMHHHH C40H58N16O9S2 970.4015 NA PeJP NA NA +PJ107506 SSSSSTEMR C35H62N12O18S 970.4026 NA PeJP NA NA +PJ107507 ASSSSSPYW C43H58N10O16 970.4032 NA PeJP NA NA +PJ107508 GSSDKEYW C43H58N10O16 970.4033 NA PeJP NA NA +PJ107509 SSTQMMMR C36H66N12O13S3 970.4035 NA PeJP NA NA +PJ107510 ASSSSCHHR C36H58N16O14S 970.4039 NA PeJP NA NA +PJ107511 GSSSTCHHR C36H58N16O14S 970.404 NA PeJP NA NA +PJ107512 VNQMMYW C44H62N10O11S2 970.4041 NA PeJP NA NA +PJ107513 GGGGAPMMFF C44H62N10O11S2 970.4042 NA PeJP NA NA +PJ107514 GDDHRWW C44H54N14O12 970.4046 NA PeJP NA NA +PJ107515 PPCCCHRR C37H62N16O9S3 970.4048 NA PeJP NA NA +PJ107516 SSSSSSLMW C40H62N10O16S 970.4066 NA PeJP NA NA +PJ107517 GGGPPPTEEM C40H62N10O16S 970.4067 NA PeJP NA NA +PJ107518 PVDEYYW C48H58N8O14 970.4073 NA PeJP NA NA +PJ107519 GSTKMMMW C41H66N10O11S3 970.4075 NA PeJP NA NA +PJ107520 GSPCEHRW C41H58N14O12S 970.408 NA PeJP NA NA +PJ107521 PPMMFYW C49H62N8O9S2 970.4082 NA PeJP NA NA +PJ107522 QEHWWW C49H54N12O10 970.4086 NA PeJP NA NA +PJ107523 SSSSSSSTLE C36H62N10O21 970.4091 NA PeJP NA NA +PJ107524 GSSTTKEMM C37H66N10O16S2 970.41 NA PeJP NA NA +PJ107525 GSSSSNNRY C37H58N14O17 970.4105 NA PeJP NA NA +PJ107526 TLEEMYW C45H62N8O14S 970.4107 NA PeJP NA NA +PJ107527 GDKKMMMM C38H70N10O11S4 970.4109 NA PeJP NA NA +PJ107528 CNEMRRY C38H62N14O12S2 970.4113 NA PeJP NA NA +PJ107529 GGCEMRRY C38H62N14O12S2 970.4114 NA PeJP NA NA +PJ107530 PLMMMYW C46H66N8O9S3 970.4115 NA PeJP NA NA +PJ107531 GNNQQHHH C38H54N18O13 970.4118 NA PeJP NA NA +PJ107532 GGGGGGGAAHHH C38H54N18O13 970.4119 NA PeJP NA NA +PJ107533 GTCRYWW C46H58N12O10S 970.412 NA PeJP NA NA +PJ107534 STTLEEEY C41H62N8O19 970.4132 NA PeJP NA NA +PJ107535 GVLEEMMY C42H66N8O14S2 970.414 NA PeJP NA NA +PJ107536 GSSSERYW C42H58N12O15 970.4145 NA PeJP NA NA +PJ107537 SSTCMMRR C35H66N14O12S3 970.4147 NA PeJP NA NA +PJ107538 APLMMMMF C43H70N8O9S4 970.4149 NA PeJP NA NA +PJ107539 GCNNDHRR C35H58N18O13S 970.4152 NA PeJP NA NA +PJ107540 GQMMRYW C43H62N12O10S2 970.4154 NA PeJP NA NA +PJ107541 GSPNHHHW C43H54N16O11 970.4158 NA PeJP NA NA +PJ107542 GGGSPHHHW C43H54N16O11 970.4159 NA PeJP NA NA +PJ107543 CKYWWW C51H58N10O8S 970.416 NA PeJP NA NA +PJ107544 GSTQEMRY C39H62N12O15S 970.4179 NA PeJP NA NA +PJ107545 ALLMMMMM C40H74N8O9S5 970.4183 NA PeJP NA NA +PJ107546 SSDKYWW C47H58N10O13 970.4185 NA PeJP NA NA +PJ107547 APCCKMRY C40H66N12O10S3 970.4187 NA PeJP NA NA +PJ107548 GGAAMMMFR C40H66N12O10S3 970.4188 NA PeJP NA NA +PJ107549 NNNMHRW C40H58N16O11S 970.4192 NA PeJP NA NA +PJ107550 ACKMFWW C48H62N10O8S2 970.4194 NA PeJP NA NA +PJ107551 SSSSSSSSQK C35H62N12O20 970.4204 NA PeJP NA NA +PJ107552 GSSTTTMMR C36H66N12O15S2 970.4212 NA PeJP NA NA +PJ107553 GSDDEHRR C36H58N16O16 970.4217 NA PeJP NA NA +PJ107554 GGGGGGGGGAPDR C36H58N16O16 970.4218 NA PeJP NA NA +PJ107555 SQKEMYW C44H62N10O13S 970.4219 NA PeJP NA NA +PJ107556 GSKMMMMR C37H70N12O10S4 970.4221 NA PeJP NA NA +PJ107557 PPDFFYW C52H58N8O11 970.4225 NA PeJP NA NA +PJ107558 CCDRRRY C37H62N16O11S2 970.4226 NA PeJP NA NA +PJ107559 KMMMHFF C45H66N10O8S3 970.4228 NA PeJP NA NA +PJ107560 SPCHRWW C45H58N14O9S 970.4232 NA PeJP NA NA +PJ107561 AHWWWW C53H54N12O7 970.4239 NA PeJP NA NA +PJ107562 SSSTTTTTW C40H62N10O18 970.4244 NA PeJP NA NA +PJ107563 SSTTKMMW C41H66N10O13S2 970.4253 NA PeJP NA NA +PJ107564 SQEEHRW C41H58N14O14 970.4257 NA PeJP NA NA +PJ107565 GGGGGSKEHW C41H58N14O14 970.4258 NA PeJP NA NA +PJ107566 PVEMFYW C49H62N8O11S 970.4259 NA PeJP NA NA +PJ107567 GCMRRYW C42H62N14O9S2 970.4266 NA PeJP NA NA +PJ107568 STTTTTTQM C37H66N10O18S 970.4277 NA PeJP NA NA +PJ107569 SSSTTTKEM C37H66N10O18S 970.4278 NA PeJP NA NA +PJ107570 GPTLEEYY C45H62N8O16 970.4284 NA PeJP NA NA +PJ107571 SSKKEMMM C38H70N10O13S3 970.4286 NA PeJP NA NA +PJ107572 GSSDMRRY C38H62N14O14S 970.4291 NA PeJP NA NA +PJ107573 VLEMMYW C46H66N8O11S2 970.4293 NA PeJP NA NA +PJ107574 SSSRYWW C46H58N12O12 970.4297 NA PeJP NA NA +PJ107575 PPDDRWW C46H58N12O12 970.4298 NA PeJP NA NA +PJ107576 CQMMFRR C39H66N14O9S3 970.43 NA PeJP NA NA +PJ107577 GPCQHHHR C39H58N18O10S 970.4305 NA PeJP NA NA +PJ107578 AHHHHFW C47H54N16O8 970.4311 NA PeJP NA NA +PJ107579 SSLLEEMY C42H66N8O16S 970.4318 NA PeJP NA NA +PJ107580 SPVLMMMY C43H70N8O11S3 970.4327 NA PeJP NA NA +PJ107581 STQMRYW C43H62N12O12S 970.4331 NA PeJP NA NA +PJ107582 GGGGGGPPVMW C43H62N12O12S 970.4332 NA PeJP NA NA +PJ107583 CCCCKKKR C36H70N14O9S4 970.4333 NA PeJP NA NA +PJ107584 APPEWWW C51H58N10O10 970.4338 NA PeJP NA NA +PJ107585 SSSDKERY C39H62N12O17 970.4356 NA PeJP NA NA +PJ107586 GGGGGGAAPLEE C39H62N12O17 970.4357 NA PeJP NA NA +PJ107587 TTLLMMMM C40H74N8O11S4 970.436 NA PeJP NA NA +PJ107588 NKEMMRY C40H66N12O12S2 970.4365 NA PeJP NA NA +PJ107589 SDDHRRW C40H58N16O13 970.437 NA PeJP NA NA +PJ107590 GTKMYWW C48H62N10O10S 970.4371 NA PeJP NA NA +PJ107591 GPPPTMWW C48H62N10O10S 970.4372 NA PeJP NA NA +PJ107592 SSSTTTTMR C36H66N12O17S 970.439 NA PeJP NA NA +PJ107593 GSTTKEYW C44H62N10O15 970.4396 NA PeJP NA NA +PJ107594 GPPKEEEW C44H62N10O15 970.4397 NA PeJP NA NA +PJ107595 SSTKMMMR C37H70N12O12S3 970.4399 NA PeJP NA NA +PJ107596 NEEMHRR C37H62N16O13S 970.4403 NA PeJP NA NA +PJ107597 GGEEMHRR C37H62N16O13S 970.4404 NA PeJP NA NA +PJ107598 VNKMMYW C45H66N10O10S2 970.4405 NA PeJP NA NA +PJ107599 GTEHRWW C45H58N14O11 970.441 NA PeJP NA NA +PJ107600 PPMFFFW C53H62N8O8S 970.4412 NA PeJP NA NA +PJ107601 GSKKEEMY C41H66N10O15S 970.443 NA PeJP NA NA +PJ107602 PTLEYYW C49H62N8O13 970.4437 NA PeJP NA NA +PJ107603 APCKKMMY C42H70N10O10S3 970.4439 NA PeJP NA NA +PJ107604 STCRRYW C42H62N14O11S 970.4443 NA PeJP NA NA +PJ107605 VNEMHRW C42H62N14O11S 970.4444 NA PeJP NA NA +PJ107606 PLMMFFW C50H66N8O8S2 970.4445 NA PeJP NA NA +PJ107607 KEHWWW C50H58N12O9 970.445 NA PeJP NA NA +PJ107608 SSSSSTTTTL C37H66N10O20 970.4455 NA PeJP NA NA +PJ107609 SSSSTLKMM C38H70N10O15S2 970.4464 NA PeJP NA NA +PJ107610 TTTQQQQH C38H62N14O16 970.4468 NA PeJP NA NA +PJ107611 SSSSERRY C38H62N14O16 970.4469 NA PeJP NA NA +PJ107612 GPVLEMYY C46H66N8O13S 970.447 NA PeJP NA NA +PJ107613 GVLEEMFF C46H66N8O13S 970.4471 NA PeJP NA NA +PJ107614 ATKKMMMM C39H74N10O10S4 970.4473 NA PeJP NA NA +PJ107615 SQMMRRY C39H66N14O11S2 970.4477 NA PeJP NA NA +PJ107616 GGGPPPCCKR C39H66N14O11S2 970.4478 NA PeJP NA NA +PJ107617 LLMMMFW C47H70N8O8S3 970.4479 NA PeJP NA NA +PJ107618 QQEHHHR C39H58N18O12 970.4482 NA PeJP NA NA +PJ107619 SPKMHWW C47H62N12O9S 970.4484 NA PeJP NA NA +PJ107620 ATLLEMMY C43H70N8O13S2 970.4504 NA PeJP NA NA +PJ107621 GSTTTRYW C43H62N12O14 970.4509 NA PeJP NA NA +PJ107622 CDEHRRR C36H62N18O12S 970.4516 NA PeJP NA NA +PJ107623 GKMMRYW C44H66N12O9S2 970.4518 NA PeJP NA NA +PJ107624 VQQHHHW C44H58N16O10 970.4522 NA PeJP NA NA +PJ107625 ASSKEMRY C40H66N12O14S 970.4542 NA PeJP NA NA +PJ107626 GSTKEMRY C40H66N12O14S 970.4543 NA PeJP NA NA +PJ107627 STTKYWW C48H62N10O12 970.4549 NA PeJP NA NA +PJ107628 QKMMMFR C41H70N12O9S3 970.4551 NA PeJP NA NA +PJ107629 GEMHRRW C41H62N16O10S 970.4556 NA PeJP NA NA +PJ107630 THRWWW C49H58N14O8 970.4562 NA PeJP NA NA +PJ107631 SSSSSSSSKK C36H66N12O19 970.4567 NA PeJP NA NA +PJ107632 SSSTCCKKK C37H70N12O14S2 970.4576 NA PeJP NA NA +PJ107633 GSTEEHRR C37H62N16O15 970.4581 NA PeJP NA NA +PJ107634 SKKEMYW C45H66N10O12S 970.4583 NA PeJP NA NA +HMDB10032 PIP2(16:0/16:0) C41H81O19P3 970.458496 NA HMDB2010 NA NA +PJ107635 CCCKKKKM C38H74N12O9S4 970.4585 NA PeJP NA NA +PJ107636 PPVFYYW C53H62N8O10 970.4589 NA PeJP NA NA +PJ107637 SCMRRRY C38H66N16O10S2 970.459 NA PeJP NA NA +PJ107638 NDHHHRR C38H58N20O11 970.4594 NA PeJP NA NA +PJ107639 GGDHHHRR C38H58N20O11 970.4595 NA PeJP NA NA +PJ107640 GVMHRWW C46H62N14O8S 970.4596 NA PeJP NA NA +PJ107641 SSTKKEEY C41H66N10O17 970.4608 NA PeJP NA NA +PJ107642 SSPKKMMY C42H70N10O12S2 970.4616 NA PeJP NA NA +PJ107643 AAKKEMMY C42H70N10O12S2 970.4617 NA PeJP NA NA +MJ098916 3,16,17-Kauranetriol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside], 16-O-?-D-glucopyranoside C44H74O23 970.462088 NA MeJP NA NA +PJ107644 SKEEHRW C42H62N14O13 970.4621 NA PeJP NA NA +PJ107645 GGGGGGGAAPKW C42H62N14O13 970.4622 NA PeJP NA NA +PJ107646 PVLMYYW C50H66N8O10S 970.4623 NA PeJP NA NA +PJ107647 LMMHHFR C43H66N14O8S2 970.463 NA PeJP NA NA +PJ107648 AQHHHRW C43H58N18O9 970.4635 NA PeJP NA NA +PJ107649 STTTTTTKM C38H70N10O17S 970.4641 NA PeJP NA NA +PJ107650 AALLEEYY C46H66N8O15 970.4648 NA PeJP NA NA +PJ107651 TTTKKMMM C39H74N10O12S3 970.465 NA PeJP NA NA +PJ107652 GSTTMRRY C39H66N14O13S 970.4655 NA PeJP NA NA +PJ107653 GPLLMMFY C47H70N8O10S2 970.4657 NA PeJP NA NA +PJ107654 PPTERWW C47H62N12O11 970.4661 NA PeJP NA NA +PJ107655 AAAAAPQWW C47H62N12O11 970.4662 NA PeJP NA NA +PJ107656 CKMMFRR C40H70N14O8S3 970.4664 NA PeJP NA NA +PJ107657 GPCKHHHR C40H62N18O9S 970.4668 NA PeJP NA NA +PJ107658 TTTLLEMY C43H70N8O15S 970.4682 NA PeJP NA NA +PJ107659 GLLLMMMY C44H74N8O10S3 970.469 NA PeJP NA NA +PJ107660 SSSNQHRR C36H62N18O14 970.4693 NA PeJP NA NA +PJ107661 GGGGGGSPNRR C36H62N18O14 970.4694 NA PeJP NA NA +PJ107662 STKMRYW C44H66N12O11S 970.4695 NA PeJP NA NA +PJ107663 SPPLWWW C52H62N10O9 970.4702 NA PeJP NA NA +PJ107664 MHRRWW C45H62N16O7S 970.4709 NA PeJP NA NA +PJ107665 SSTTKERY C40H66N12O16 970.472 NA PeJP NA NA +PJ107666 DKKMMRY C41H70N12O11S2 970.4729 NA PeJP NA NA +PJ107667 QQQQHFR C41H62N16O12 970.4733 NA PeJP NA NA +PJ107668 STEHRRW C41H62N16O12 970.4734 NA PeJP NA NA +PJ107669 AAPPLMWW C49H66N10O9S 970.4735 NA PeJP NA NA +PJ107670 SSSTLKYW C45H66N10O14 970.476 NA PeJP NA NA +PJ107671 AAAPVVEEW C45H66N10O14 970.4761 NA PeJP NA NA +PJ107672 DKEMHRR C38H66N16O12S 970.4767 NA PeJP NA NA +PJ107673 CLKKMYW C46H70N10O9S2 970.4769 NA PeJP NA NA +MJ098917 1,22-Dihydroxy-3,4-seco-4(23),20(29)-lupadien-3,11-olid-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H74O20 970.477344 NA MeJP NA NA +MJ098918 12-Oleanene-3,22,24,30-tetrol, 30-Carboxylic acid, 22-ketone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H74O20 970.477344 NA MeJP NA NA +MJ098919 2,3-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H74O20 970.477344 NA MeJP NA NA +MJ098920 3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucuronopyranoside], Me ester C48H74O20 970.477344 NA MeJP NA NA +MJ098921 3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-[?-D-galactopyranosyl-(1?2)]-?-D-glucuronopyranoside] C48H74O20 970.477344 NA MeJP NA NA +MJ098922 3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-?-D-glucopyranosyl ester, 30-Me ester C48H74O20 970.477344 NA MeJP NA NA +MJ098923 3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucuronopyranoside], 28-O-?-D-galactopyranosyl ester C48H74O20 970.477344 NA MeJP NA NA +MJ098924 Gitaloxigenin; 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] C48H74O20 970.477344 NA MeJP NA NA +MJ098925 Glaucogenin A; 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-L-cymaropyranoside] C48H74O20 970.477344 NA MeJP NA NA +MJ098926 Glaucogenin C; 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-thevetopyranoside] C48H74O20 970.477344 NA MeJP NA NA +PJ107674 SSLHRWW C46H62N14O10 970.4774 NA PeJP NA NA +PJ107675 ATTKKEMY C42H70N10O14S 970.4794 NA PeJP NA NA +PJ107676 VVLEYYW C50H66N8O12 970.48 NA PeJP NA NA +PJ107677 TLLEFYW C50H66N8O12 970.4801 NA PeJP NA NA +PJ107678 GVKKMMMF C43H74N10O9S3 970.4803 NA PeJP NA NA +PJ107679 TLQMHRW C43H66N14O10S 970.4807 NA PeJP NA NA +PJ107680 PPEMRRW C43H66N14O10S 970.4808 NA PeJP NA NA +PJ107681 APKHFWW C51H62N12O8 970.4814 NA PeJP NA NA +PJ107682 SSTTTRRY C39H66N14O15 970.4832 NA PeJP NA NA +PJ107683 GPVEEERR C39H66N14O15 970.4833 NA PeJP NA NA +PJ107684 APTLLMYY C47H70N8O12S 970.4834 NA PeJP NA NA +PJ107685 SKMMRRY C40H70N14O10S2 970.4841 NA PeJP NA NA +PJ107686 NNQHFRR C40H62N18O11 970.4846 NA PeJP NA NA +PJ107687 PPVMRWW C48H66N12O8S 970.4848 NA PeJP NA NA +PJ107688 PLLLEEEE C43H70N8O17 970.4859 NA PeJP NA NA +PJ107689 STLLLMMY C44H74N8O12S2 970.4868 NA PeJP NA NA +PJ107690 NQQKKYY C44H66N12O13 970.4872 NA PeJP NA NA +PJ107691 AAPLEERW C44H66N12O13 970.4873 NA PeJP NA NA +PJ107692 SEMHRRR C37H66N18O11S 970.488 NA PeJP NA NA +PJ107693 GPNRRWW C45H62N16O9 970.4886 NA PeJP NA NA +PJ107694 SSSLKMRY C41H70N12O13S 970.4906 NA PeJP NA NA +PJ107695 PPVDKEMR C41H70N12O13S 970.4907 NA PeJP NA NA +PJ107696 PLLQEWW C49H66N10O11 970.4913 NA PeJP NA NA +PJ107697 KKMMMFR C42H74N12O8S3 970.4915 NA PeJP NA NA +PJ107698 SVMHRRW C42H66N16O9S 970.492 NA PeJP NA NA +PJ107699 PEEERRR C38H66N16O14 970.4945 NA PeJP NA NA +PJ107700 APPLKEMW C46H70N10O11S 970.4947 NA PeJP NA NA +PJ107701 PVLFFYW C54H66N8O9 970.4953 NA PeJP NA NA +PJ107702 LQMMHRR C39H70N16O9S2 970.4954 NA PeJP NA NA +PJ107703 TQHHHRR C39H62N20O10 970.4958 NA PeJP NA NA +PJ107704 GSTTTTLKY C42H70N10O16 970.4971 NA PeJP NA NA +PJ107705 TTTTKKEY C42H70N10O16 970.4972 NA PeJP NA NA +PJ107706 GTLKKMMY C43H74N10O11S2 970.498 NA PeJP NA NA +PJ107707 GGGPPVLLMM C43H74N10O11S2 970.4981 NA PeJP NA NA +PJ107708 PVEERRW C43H66N14O12 970.4985 NA PeJP NA NA +PJ107709 VLLMFYW C51H70N8O9S 970.4987 NA PeJP NA NA +PJ107710 AKHHHRW C44H62N18O8 970.4998 NA PeJP NA NA +PJ107711 GTLLLEYY C47H70N8O14 970.5012 NA PeJP NA NA +PJ107712 SPPVEMRR C40H70N14O12S 970.5019 NA PeJP NA NA +PJ107713 GLLLMMFF C48H74N8O9S2 970.5021 NA PeJP NA NA +PJ107714 PVVERWW C48H66N12O10 970.5025 NA PeJP NA NA +PJ107715 PCHFRRR C41H66N18O8S 970.5032 NA PeJP NA NA +PJ107716 GSPNERRR C37H66N18O13 970.5057 NA PeJP NA NA +PJ107717 GGGGGGGGALRR C37H66N18O13 970.5058 NA PeJP NA NA +PJ107718 APPTLMRW C45H70N12O10S 970.5059 NA PeJP NA NA +PJ107719 VKHFFFF C53H66N10O8 970.5065 NA PeJP NA NA +PJ107720 APLLWWW C53H66N10O8 970.5066 NA PeJP NA NA +PJ107721 TTTTTKRY C41H70N12O15 970.5084 NA PeJP NA NA +PJ107722 ACCKKKKY C42H74N12O10S2 970.5093 NA PeJP NA NA +PJ107723 PNDKRRW C42H66N16O11 970.5097 NA PeJP NA NA +PJ107724 GGPDKRRW C42H66N16O11 970.5098 NA PeJP NA NA +PJ107725 CLKKFFW C50H70N10O8S 970.5099 NA PeJP NA NA +PJ107726 GPLLKEEW C46H70N10O13 970.5124 NA PeJP NA NA +PJ107727 GTTLMHRR C39H70N16O11S 970.5131 NA PeJP NA NA +MJ098927 11-Hydroxy-3,21-dioxo-12-oleanen-28-oic acid; 11?-form, 21?-Alcohol, 11-Me ether, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C49H78O19 970.51373 NA MeJP NA NA +MJ098928 11-Hydroxy-3,21-dioxo-12-oleanen-28-oic acid; 11?-form, 3?-Alcohol, 11-Me ether, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C49H78O19 970.51373 NA MeJP NA NA +MJ098929 17,22,24-Trihydroxy-28-hopanoic acid; 17?-form, 28?22 Lactone, 24-O-[?-L-5-O-acetylarabinofuranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C49H78O19 970.51373 NA MeJP NA NA +MJ098930 3,19-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-2-O-acetyl-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester C49H78O19 970.51373 NA MeJP NA NA +MJ098931 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranoside] C49H78O19 970.51373 NA MeJP NA NA +MJ098932 3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 30-Me ester C49H78O19 970.51373 NA MeJP NA NA +MJ098933 Hederagenin bisdesmosides; Triglycosides, 3-O-(2-O-Acetyl-?-L-arabinopyranoside), 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C49H78O19 970.51373 NA MeJP NA NA +MJ098934 Hederagenin bisdesmosides; Triglycosides, 3-O-(4-O-Acetyl-?-L-arabinopyranoside), 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C49H78O19 970.51373 NA MeJP NA NA +MJ098935 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-6-O-methyl-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C49H78O19 970.51373 NA MeJP NA NA +PJ107728 APQKRWW C47H66N14O9 970.5138 NA PeJP NA NA +PJ107729 STTLKKMY C43H74N10O13S 970.5158 NA PeJP NA NA +PJ107730 TLLLYYW C51H70N8O11 970.5164 NA PeJP NA NA +PJ107731 GVLLEFFF C51H70N8O11 970.5165 NA PeJP NA NA +PJ107732 NNQQRRR C36H66N20O12 970.5169 NA PeJP NA NA +PJ107733 GGNQQRRR C36H66N20O12 970.517 NA PeJP NA NA +PJ107734 TLKMHRW C44H70N14O9S 970.5171 NA PeJP NA NA +PJ107735 APTLEERR C40H70N14O14 970.5196 NA PeJP NA NA +PJ107736 GGAPKKEER C40H70N14O14 970.5197 NA PeJP NA NA +PJ107737 GVLLLMYY C48H74N8O11S 970.5198 NA PeJP NA NA +PJ107738 APPLMMRR C41H74N14O9S2 970.5205 NA PeJP NA NA +PJ107739 SPNRRRW C41H66N18O10 970.521 NA PeJP NA NA +PJ107740 SPPTQKKW C45H70N12O12 970.5236 NA PeJP NA NA +PJ107741 GPTLLERW C45H70N12O12 970.5237 NA PeJP NA NA +PJ107742 PQQMRRR C38H70N18O10S 970.5243 NA PeJP NA NA +PJ107743 GAPQMRRR C38H70N18O10S 970.5244 NA PeJP NA NA +PJ107744 GLHFRRW C46H66N16O8 970.525 NA PeJP NA NA +PJ107745 SSCKKKKY C42H74N12O12S 970.527 NA PeJP NA NA +PJ107746 GGGGAAPLLKM C42H74N12O12S 970.5271 NA PeJP NA NA +PJ107747 PLLKEWW C50H70N10O10 970.5277 NA PeJP NA NA +PJ107748 PKMHFRR C43H70N16O8S 970.5284 NA PeJP NA NA +PJ107749 STTTLHRR C39H70N16O13 970.5309 NA PeJP NA NA +PJ107750 LLLMRYY C47H74N10O10S 970.531 NA PeJP NA NA +PJ107751 SPPLLKMW C47H74N10O10S 970.5311 NA PeJP NA NA +PJ107752 VLLFFFW C55H70N8O8 970.5317 NA PeJP NA NA +PJ107753 TKHHHRR C40H66N20O9 970.5322 NA PeJP NA NA +PJ107754 SSPPTLLKE C43H74N10O15 970.5335 NA PeJP NA NA +PJ107755 PVLKKEEE C43H74N10O15 970.5336 NA PeJP NA NA +PJ107756 TLLLLMMH C44H78N10O10S2 970.5344 NA PeJP NA NA +PJ107757 PQKKERW C44H70N14O11 970.5349 NA PeJP NA NA +PJ107758 PCQRRRR C37H70N20O9S 970.5356 NA PeJP NA NA +PJ107759 SSLLLLYY C48H74N8O13 970.5376 NA PeJP NA NA +PJ107760 GPLLEMRR C41H74N14O11S 970.5383 NA PeJP NA NA +PJ107761 PTLLRWW C49H70N12O9 970.5389 NA PeJP NA NA +PJ107762 VQQERRR C38H70N18O12 970.5421 NA PeJP NA NA +PJ107763 GPVLLMRW C46H74N12O9S 970.5423 NA PeJP NA NA +PJ107764 SPLLKEER C42H74N12O14 970.5448 NA PeJP NA NA +PJ107765 PPVLKMMR C43H78N12O9S2 970.5457 NA PeJP NA NA +PJ107766 PTQKRRW C43H70N16O10 970.5461 NA PeJP NA NA +PJ107767 SPVLLKEW C47H74N10O12 970.5488 NA PeJP NA NA +PJ107768 GPVQKMRR C40H74N16O10S 970.5495 NA PeJP NA NA +PJ107769 VVKHFRW C48H70N14O8 970.5501 NA PeJP NA NA +MJ098936 Eupha-7,24-diene-1,3,23-triol, 1-O-?-D-Glucopyranoside, 3-O-[2-O-acetyl-?-D-glucopyranoside], 23-O-?-L-rhamnopyranoside C50H82O18 970.550115 NA MeJP NA NA +PJ107770 APKKRWW C48H70N14O8 970.5502 NA PeJP NA NA +PJ107771 PLLLQKEM C44H78N10O12S 970.5522 NA PeJP NA NA +PJ107772 GVLLLFFY C52H74N8O10 970.5528 NA PeJP NA NA +PJ107773 AQERRRR C37H70N20O11 970.5533 NA PeJP NA NA +PJ107774 GAAERRRR C37H70N20O11 970.5534 NA PeJP NA NA +PJ107775 PLLMRRW C45H74N14O8S 970.5535 NA PeJP NA NA +HMDB09933 PIP(16:0/22:2(13Z,16Z)) C47H88O16P2 970.554749 NA HMDB2010 NA NA +HMDB09969 PIP(18:1(15Z)/20:1(11Z)) C47H88O16P2 970.554749 NA HMDB2010 NA NA +HMDB09977 PIP(18:1(9Z)/20:1(11Z)) C47H88O16P2 970.554749 NA HMDB2010 NA NA +HMDB09988 PIP(18:2(9Z,12Z)/20:0) C47H88O16P2 970.554749 NA HMDB2010 NA NA +HMDB09997 PIP(20:0/18:2(9Z,12Z)) C47H88O16P2 970.554749 NA HMDB2010 NA NA +HMDB09999 PIP(20:1(11Z)/18:1(11Z)) C47H88O16P2 970.554749 NA HMDB2010 NA NA +HMDB10000 PIP(20:1(11Z)/18:1(9Z)) C47H88O16P2 970.554749 NA HMDB2010 NA NA +HMDB10002 PIP(20:2(11Z,14Z)/18:0) C47H88O16P2 970.554749 NA HMDB2010 NA NA +HMDB10023 PIP(22:2(13Z,16Z)/16:0) C47H88O16P2 970.554749 NA HMDB2010 NA NA +PJ107776 GVLLEERR C41H74N14O13 970.556 NA PeJP NA NA +PJ107777 GGGGGGGALLKK C41H74N14O13 970.5561 NA PeJP NA NA +PJ107778 GLQRRRW C42H70N18O9 970.5574 NA PeJP NA NA +PJ107779 LLLLLEEE C45H78N8O15 970.5587 NA PeJP NA NA +PJ107780 SSPLLLRW C46H74N12O11 970.56 NA PeJP NA NA +PJ107781 AALLLERW C46H74N12O11 970.5601 NA PeJP NA NA +PJ107782 PQKMRRR C39H74N18O9S 970.5607 NA PeJP NA NA +MJ098937 Didemnin G C50H78N6O13 970.562686 NA MeJP NA NA +PJ107783 PVVLKEMR C43H78N12O11S 970.5634 NA PeJP NA NA +PJ107784 LLLLQWW C51H74N10O9 970.5641 NA PeJP NA NA +PJ107785 GDRRRRR C36H70N22O10 970.5646 NA PeJP NA NA +PJ107786 SPTLNKRR C40H74N16O12 970.5672 NA PeJP NA NA +PJ107787 LLEERRR C40H74N16O12 970.5673 NA PeJP NA NA +PJ107788 APLLLKMW C48H78N10O9S 970.5674 NA PeJP NA NA +PJ107789 AARRRRW C41H70N20O8 970.5686 NA PeJP NA NA +PJ107790 VLLLQKEE C44H78N10O14 970.5699 NA PeJP NA NA +PJ107791 GGILLLKEE C44H78N10O14 970.57 NA PeJP NA NA +PJ107792 VLLERRW C45H74N14O10 970.5713 NA PeJP NA NA +PJ107793 PCKRRRR C38H74N20O8S 970.572 NA PeJP NA NA +PJ107794 PTCLLLRR C42H78N14O10S 970.5746 NA PeJP NA NA +PJ107795 SPVLLMRR C42H78N14O10S 970.5747 NA PeJP NA NA +PJ107796 VVLLRWW C50H74N12O8 970.5753 NA PeJP NA NA +PJ107797 VQKERRR C39H74N18O11 970.5785 NA PeJP NA NA +PJ107798 ALLLKEER C43H78N12O13 970.5812 NA PeJP NA NA +PJ107799 PTKKRRW C44H74N16O9 970.5825 NA PeJP NA NA +PJ107800 GLLLLKEW C48H78N10O11 970.5852 NA PeJP NA NA +PJ107801 GPVKKMRR C41H78N16O9S 970.5859 NA PeJP NA NA +PJ107802 PLLLKKEM C45H82N10O11S 970.5886 NA PeJP NA NA +PJ107803 AKERRRR C38H74N20O10 970.5897 NA PeJP NA NA +PJ107804 ATLLLERR C42H78N14O12 970.5924 NA PeJP NA NA +PJ107805 AVKRRRW C43H74N18O8 970.5937 NA PeJP NA NA +PJ107806 GLKRRRW C43H74N18O8 970.5938 NA PeJP NA NA +PJ107807 GTLLLLRW C47H78N12O10 970.5964 NA PeJP NA NA +PJ107808 PKKMRRR C40H78N18O8S 970.5971 NA PeJP NA NA +PJ107809 PTLLLKMR C44H82N12O10S 970.5998 NA PeJP NA NA +PJ107810 LLLLKWW C52H78N10O8 970.6005 NA PeJP NA NA +PJ107811 ATRRRRR C37H74N22O9 970.601 NA PeJP NA NA +PJ107812 AALKKERR C41H78N16O11 970.6036 NA PeJP NA NA +PJ107813 GVVKKERR C41H78N16O11 970.6037 NA PeJP NA NA +PJ107814 VLLLKKEE C45H82N10O13 970.6063 NA PeJP NA NA +PJ107815 LLQKKRW C46H78N14O9 970.6077 NA PeJP NA NA +PJ107816 GLLLLMRR C43H82N14O9S 970.611 NA PeJP NA NA +PJ107817 VKKERRR C40H78N18O10 970.6149 NA PeJP NA NA +PJ107818 SLLLLKER C44H82N12O12 970.6176 NA PeJP NA NA +PJ107819 VVKKRRW C45H78N16O8 970.6189 NA PeJP NA NA +PJ107820 SVLLLLKW C49H82N10O10 970.6216 NA PeJP NA NA +PJ107821 LLLLLQKM C46H86N10O10S 970.625 NA PeJP NA NA +PJ107822 SLKRRRR C39H78N20O9 970.6261 NA PeJP NA NA +PJ107823 STLLLLRR C43H82N14O11 970.6288 NA PeJP NA NA +PJ107824 GVLLKKKW C48H82N12O9 970.6328 NA PeJP NA NA +PJ107825 VVLLLKMR C45H86N12O9S 970.6362 NA PeJP NA NA +PJ107826 GTLLKKRR C42H82N16O10 970.64 NA PeJP NA NA +PJ107827 GTTLLLLLK C46H86N10O12 970.6427 NA PeJP NA NA +PJ107828 LLKKKRW C47H82N14O8 970.644 NA PeJP NA NA +PJ107829 QKKKKRR C41H82N18O9 970.6513 NA PeJP NA NA +PJ107830 VVLKKKKE C45H86N12O11 970.6539 NA PeJP NA NA +PJ107831 GATLLLKKK C45H86N12O11 970.654 NA PeJP NA NA +PJ107832 PLLLLKKF C50H86N10O9 970.658 NA PeJP NA NA +PJ107833 LLLLLKKM C47H90N10O9S 970.6613 NA PeJP NA NA +PJ107834 SVLLKKKR C44H86N14O10 970.6652 NA PeJP NA NA +PJ107835 GVKKKKKR C43H86N16O9 970.6764 NA PeJP NA NA +PJ107836 KKKKKRR C42H86N18O8 970.6876 NA PeJP NA NA +PJ107837 TLLLKKKK C46H90N12O10 970.6903 NA PeJP NA NA +PJ107838 ALKKKKKK C45H90N14O9 970.7016 NA PeJP NA NA +HMDB05181 Dolichol-14 C70H114O 970.886963 NA HMDB2010 NA NA +HMDB05418 TG(20:0/20:1(11Z)/20:1(11Z))[iso3] C63H118O6 970.89282 http://www.hmdb.ca/metabolites/HMDB05418 HMDB NA NA +HMDB05418 TG(20:0/20:1(11Z)/20:1(11Z))[iso3] C63H118O6 970.89282 HMDB05418 PFEM_hmdb_metabocards_official NA NA +HMDB05418 TG(20:0/20:1(11Z)/20:1(11Z))[iso3] C63H118O6 970.892822 NA HMDB2010 NA NA +2689 NA GGLYLCRFGPVTWDCGYKGG 970.97795 MH2+ Inhouse_peptide NA peptide +PJ107839 CCCCCCCCE C29H49N9O12S8 971.1267 NA PeJP NA NA +MJ098938 2-Succinylbenzoyl-CoA C32H44N7O20P3S 971.157467 NA MeJP NA NA +MetaCyc04350 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA [] C32H44N7O20P3S1 971.157467 NA metacyc NA NA +MetaCyc04351 benzoylsuccinyl-CoA [] C32H44N7O20P3S1 971.157467 NA metacyc NA NA +MetaCyc04352 O-succinylbenzoyl-CoA [2-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;2-(3'-carboxypropionyl)benzoyl-CoA;] C32H44N7O20P3S1 971.157467 NA metacyc NA NA +C03160 2-Succinylbenzoyl-CoA C32H44N7O20P3S 971.1575 NA KEGG NA NA +C03161 Oxidized flavoprotein C32H44N7O20P3S 971.1575 NA KEGG NA NA +C03162 Oxidized plastocyanin C32H44N7O20P3S 971.1575 NA KEGG NA NA +C09820 Benzoylsuccinyl-CoA C32H44N7O20P3S 971.1575 NA KEGG NA NA +PJ107840 TCCCCCCCM C30H53N9O11S8 971.1631 NA PeJP NA NA +PJ107841 GCCCCCCDY C33H49N9O13S6 971.1775 NA PeJP NA NA +MetaCyc04353 (3-methylbenzyl)succinyl-CoA [3-methylbenzylsuccinyl-CoA;] C33H48N7O19P3S1 971.193853 NA metacyc NA NA +PJ107842 GCCCCCCMF C34H53N9O10S7 971.1961 NA PeJP NA NA +PJ107843 GCCCCCDEH C32H49N11O14S5 971.2064 NA PeJP NA NA +PJ107844 GCCDDDDDD C32H45N9O22S2 971.2121 NA PeJP NA NA +PJ107845 GSCCCCCMY C34H53N9O12S6 971.2138 NA PeJP NA NA +PJ107846 CCCCCDHW C36H49N11O11S5 971.2217 NA PeJP NA NA +PJ107847 SSCCCCDDH C32H49N11O16S4 971.2242 NA PeJP NA NA +PJ107848 PTCCCCCCH C33H53N11O11S6 971.2251 NA PeJP NA NA +PJ107849 SPCCCDDDD C33H49N9O19S3 971.2307 NA PeJP NA NA +PJ107850 SSTCCCCCY C34H53N9O14S5 971.2316 NA PeJP NA NA +PJ107851 GCCCNNDDE C32H49N11O18S3 971.242 NA PeJP NA NA +PJ107852 GSCCCCEMH C33H53N11O13S5 971.2428 NA PeJP NA NA +PJ107853 CCCCCQFY C38H53N9O11S5 971.2468 NA PeJP NA NA +PJ107854 GACCCCCFY C38H53N9O11S5 971.2469 NA PeJP NA NA +PJ107855 GSCDDDDDM C33H49N9O21S2 971.2485 NA PeJP NA NA +PJ107856 GPCCCDDEM C34H53N9O16S4 971.2494 NA PeJP NA NA +PJ107857 CCCNNDDW C36H49N11O15S3 971.2572 NA PeJP NA NA +PJ107858 SCCCCMHW C37H53N11O10S5 971.2581 NA PeJP NA NA +PJ107859 SSCCNNDDD C32H49N11O20S2 971.2597 NA PeJP NA NA +PJ107860 SSSCCCDMH C33H53N11O15S4 971.2606 NA PeJP NA NA +PJ107861 CCCNMMMH C34H57N11O10S6 971.2615 NA PeJP NA NA +PJ107862 SCCDDDEW C37H49N9O18S2 971.2637 NA PeJP NA NA +PJ107863 PCCCDDMW C38H53N9O13S4 971.2646 NA PeJP NA NA +PJ107864 SSSCDDDDE C33H49N9O23S 971.2662 NA PeJP NA NA +PJ107865 CNDDDEMM C34H53N9O18S3 971.2671 NA PeJP NA NA +PJ107866 SPPCCCCEM C35H57N9O13S5 971.268 NA PeJP NA NA +PJ107867 GCCCNNNNM C32H53N13O14S4 971.2718 NA PeJP NA NA +PJ107868 GGGGGGGGGCCCM C32H53N13O14S4 971.2719 NA PeJP NA NA +PJ107869 GSPCCCCNW C37H53N11O12S4 971.2758 NA PeJP NA NA +PJ107870 GGGSPCCCCW C37H53N11O12S4 971.2759 NA PeJP NA NA +PJ107871 GSCCNNDEM C33H53N11O17S3 971.2783 NA PeJP NA NA +PJ107872 CCDDDDMR C33H53N11O17S3 971.2784 NA PeJP NA NA +PJ107873 GSTCCCMMH C34H57N11O12S5 971.2792 NA PeJP NA NA +PJ107874 CNDDDDEF C37H49N9O20S 971.2815 NA PeJP NA NA +PJ107875 GCDDDMMW C38H53N9O15S3 971.2824 NA PeJP NA NA +PJ107876 CCCCCKFY C39H57N9O10S5 971.2832 NA PeJP NA NA +PJ107877 GSSDDDDMM C34H53N9O20S2 971.2849 NA PeJP NA NA +PJ107878 GSPCCDEMM C35H57N9O15S4 971.2857 NA PeJP NA NA +PJ107879 CCNDDEHH C35H49N13O16S2 971.2862 NA PeJP NA NA +PJ107880 GPPCCCMMM C36H61N9O10S6 971.2866 NA PeJP NA NA +PJ107881 GSCCCNDDR C32H53N13O16S3 971.2896 NA PeJP NA NA +PJ107882 GPCCCCCQR C33H57N13O11S5 971.2904 NA PeJP NA NA +PJ107883 APCCCCCNR C33H57N13O11S5 971.2905 NA PeJP NA NA +PJ107884 ACCCCHFW C41H53N11O9S4 971.2911 NA PeJP NA NA +PJ107885 CNNNDDDY C36H49N11O19S 971.2927 NA PeJP NA NA +PJ107886 GGGGGGCDDDY C36H49N11O19S 971.2928 NA PeJP NA NA +PJ107887 SCCNNDMW C37H53N11O14S3 971.2936 NA PeJP NA NA +PJ107888 SSSCNNDDM C33H53N11O19S2 971.2961 NA PeJP NA NA +PJ107889 GCDDDDFW C41H49N9O17S 971.2968 NA PeJP NA NA +PJ107890 SSSSCCMMH C34H57N11O14S4 971.297 NA PeJP NA NA +PJ107891 CCDEMWW C42H53N9O12S3 971.2976 NA PeJP NA NA +PJ107892 SNDDDDEY C37H49N9O22 971.2993 NA PeJP NA NA +PJ107893 SSCDDEMW C38H53N9O17S2 971.3001 NA PeJP NA NA +PJ107894 SPCCDMMW C39H57N9O12S4 971.301 NA PeJP NA NA +PJ107895 GCCDDHHW C39H49N13O13S2 971.3015 NA PeJP NA NA +PJ107896 SSSSDDDEM C34H53N9O22S 971.3026 NA PeJP NA NA +PJ107897 SNDDEMMM C35H57N9O17S3 971.3035 NA PeJP NA NA +PJ107898 GSSCDDDHH C35H49N13O18S 971.304 NA PeJP NA NA +PJ107899 CDDMYYY C43H53N7O15S2 971.3041 NA PeJP NA NA +PJ107900 PCNDMMMM C36H61N9O12S5 971.3044 NA PeJP NA NA +PJ107901 GSPCCCEHH C36H53N13O13S3 971.3048 NA PeJP NA NA +PJ107902 GSSSSCCNNN C32H53N13O18S2 971.3073 NA PeJP NA NA +PJ107903 GGGGGGGSSSSCC C32H53N13O18S2 971.3074 NA PeJP NA NA +PJ107904 CCCNNEMR C33H57N13O13S4 971.3082 NA PeJP NA NA +PJ107905 CMMMMYY C41H61N7O10S5 971.3084 NA PeJP NA NA +PJ107906 GSCCCQWW C41H53N11O11S3 971.3089 NA PeJP NA NA +PJ107907 GSPDDDDDH C36H49N11O21 971.3105 NA PeJP NA NA +PJ107908 GSSSCCNEW C37H53N11O16S2 971.3114 NA PeJP NA NA +PJ107909 GCCNQMMW C38H57N11O11S4 971.3122 NA PeJP NA NA +PJ107910 GSSSSSCNDE C33H53N11O21S 971.3139 NA PeJP NA NA +PJ107911 GSDDDDYW C41H49N9O19 971.3145 NA PeJP NA NA +PJ107912 SCDDDMMR C34H57N11O16S3 971.3147 NA PeJP NA NA +PJ107913 GPCCDEYW C42H53N9O14S2 971.3154 NA PeJP NA NA +PJ107914 PCCCEMMR C35H61N11O11S5 971.3156 NA PeJP NA NA +PJ107915 CCNNNMHH C35H53N15O12S3 971.3161 NA PeJP NA NA +PJ107916 GNDDEEMY C38H53N9O19S 971.3179 NA PeJP NA NA +PJ107917 ASPPCCCEY C39H57N9O14S3 971.3187 NA PeJP NA NA +PJ107918 GSDDMMMW C39H57N9O14S3 971.3188 NA PeJP NA NA +PJ107919 CCCCNDRR C32H57N15O12S4 971.3194 NA PeJP NA NA +PJ107920 GGCCCCDRR C32H57N15O12S4 971.3195 NA PeJP NA NA +PJ107921 APCCMMMW C40H61N9O9S5 971.3196 NA PeJP NA NA +PJ107922 SPCCCHHW C40H53N13O10S3 971.3201 NA PeJP NA NA +PJ107923 GSSTCEEEM C35H57N9O19S2 971.3212 NA PeJP NA NA +PJ107924 GSSSDEEMM C35H57N9O19S2 971.3213 NA PeJP NA NA +PJ107925 NNNDDDEH C35H49N13O20 971.3217 NA PeJP NA NA +PJ107926 GGGGGGDDDEH C35H49N13O20 971.3218 NA PeJP NA NA +PJ107927 GNEEMMMM C36H61N9O14S4 971.3221 NA PeJP NA NA +PJ107928 CCNNNNQY C36H53N13O15S2 971.3226 NA PeJP NA NA +PJ107929 CDMMFYY C44H57N7O12S3 971.3228 NA PeJP NA NA +PJ107930 GCCCNMRW C37H57N13O10S4 971.3235 NA PeJP NA NA +PJ107931 GSSCCNDMR C33H57N13O15S3 971.326 NA PeJP NA NA +PJ107932 SSSCCNWW C41H53N11O13S2 971.3266 NA PeJP NA NA +PJ107933 GPCCCCCKR C34H61N13O10S5 971.3268 NA PeJP NA NA +PJ107934 SSSSSCNDW C37H53N11O18S 971.3291 NA PeJP NA NA +PJ107935 SSCNNMMW C38H57N11O13S3 971.33 NA PeJP NA NA +PJ107936 PCCDYWW C46H53N9O11S2 971.3306 NA PeJP NA NA +PJ107937 SSSSSSSNDD C33H53N11O23 971.3316 NA PeJP NA NA +PJ107938 SSSSNNDMM C34H57N11O18S2 971.3325 NA PeJP NA NA +PJ107939 NDDEMYW C42H53N9O16S 971.3331 NA PeJP NA NA +PJ107940 GGPCDDDFF C42H53N9O16S 971.3332 NA PeJP NA NA +PJ107941 SNNNMMMM C35H61N11O13S4 971.3333 NA PeJP NA NA +PJ107942 GCDEMMMR C35H61N11O13S4 971.3334 NA PeJP NA NA +PJ107943 SCCDDHHR C35H53N15O14S2 971.3338 NA PeJP NA NA +PJ107944 GGGGGGGPCCNH C35H53N15O14S2 971.3339 NA PeJP NA NA +PJ107945 SCEMMWW C43H57N9O11S3 971.334 NA PeJP NA NA +PJ107946 SSNDEEEY C38H53N9O21 971.3356 NA PeJP NA NA +PJ107947 SSSDEMMW C39H57N9O16S2 971.3365 NA PeJP NA NA +PJ107948 GNNDDDHW C39H49N13O17 971.337 NA PeJP NA NA +PJ107949 CDDFFYY C47H53N7O14S 971.3372 NA PeJP NA NA +PJ107950 NEMMMMW C40H61N9O11S4 971.3374 NA PeJP NA NA +PJ107951 GSCDMHHW C40H53N13O12S2 971.3379 NA PeJP NA NA +PJ107952 SSSSSEEEM C35H57N9O21S 971.339 NA PeJP NA NA +PJ107953 SSQEEMMM C36H61N9O16S3 971.3399 NA PeJP NA NA +PJ107954 GSSCNNNNY C36H53N13O17S 971.3403 NA PeJP NA NA +PJ107955 GGGGGSSCNNY C36H53N13O17S 971.3404 NA PeJP NA NA +PJ107956 SDMMYYY C44H57N7O14S2 971.3405 NA PeJP NA NA +PJ107957 SPNMMMMM C37H65N9O11S5 971.3407 NA PeJP NA NA +PJ107958 GGSPMMMMM C37H65N9O11S5 971.3408 NA PeJP NA NA +PJ107959 SSCCCQRW C37H57N13O12S3 971.3412 NA PeJP NA NA +PJ107960 CMMMFFY C45H61N7O9S4 971.3414 NA PeJP NA NA +PJ107961 CCNNFWW C45H53N11O10S2 971.3419 NA PeJP NA NA +MJ098939 Antibiotic A 2121; Antibiotic A 2121-1, 12a-O-Deglycosyl C47H57NO21 971.342307 NA MeJP NA NA +PJ107962 SSSSCCNER C33H57N13O17S2 971.3437 NA PeJP NA NA +PJ107963 CDDDRYW C41H53N11O15S 971.3444 NA PeJP NA NA +PJ107964 SCCNQMMR C34H61N13O12S4 971.3446 NA PeJP NA NA +PJ107965 GSCCCKWW C42H57N11O10S3 971.3452 NA PeJP NA NA +PJ107966 GGACCMHFF C42H57N11O10S3 971.3453 NA PeJP NA NA +PJ107967 SSDDDDRY C37H53N11O20 971.3469 NA PeJP NA NA +PJ107968 GSSSSCQMW C38H57N11O15S2 971.3477 NA PeJP NA NA +PJ107969 GGGGGNEMMY C38H57N11O15S2 971.3478 NA PeJP NA NA +PJ107970 GDDMYWW C46H53N9O13S 971.3484 NA PeJP NA NA +PJ107971 CDMMMRW C39H61N11O10S4 971.3486 NA PeJP NA NA +PJ107972 PCCMFWW C47H57N9O8S3 971.3493 NA PeJP NA NA +PJ107973 GSSSSSSNEM C34H57N11O20S 971.3502 NA PeJP NA NA +PJ107974 GSSDEEYW C42H53N9O18 971.3509 NA PeJP NA NA +PJ107975 SSDDMMMR C35H61N11O15S3 971.3511 NA PeJP NA NA +PJ107976 SSSSCNNHH C35H53N15O16S 971.3516 NA PeJP NA NA +PJ107977 GSPCEMYW C43H57N9O13S2 971.3518 NA PeJP NA NA +PJ107978 PTCCMMMR C36H65N11O10S5 971.352 NA PeJP NA NA +PJ107979 GCCEMHHR C36H57N15O11S3 971.3525 NA PeJP NA NA +PJ107980 GMMMMWW C44H61N9O8S4 971.3526 NA PeJP NA NA +PJ107981 TCCHHWW C44H53N13O9S2 971.3531 NA PeJP NA NA +PJ107982 GSQEEEMY C39H57N9O18S 971.3543 NA PeJP NA NA +PJ107983 GDEYYYY C47H53N7O16 971.3549 NA PeJP NA NA +PJ107984 GSTEMMMW C40H61N9O13S3 971.3551 NA PeJP NA NA +PJ107985 SSSCEHHW C40H53N13O14S 971.3556 NA PeJP NA NA +PJ107986 CDMFFFY C48H57N7O11S2 971.3558 NA PeJP NA NA +PJ107987 CQMMHHW C41H57N13O9S3 971.3565 NA PeJP NA NA +PJ107988 GSSTTEEMM C36H61N9O18S2 971.3576 NA PeJP NA NA +PJ107989 GDDDEEHR C36H53N13O19 971.3581 NA PeJP NA NA +PJ107990 GDKEMMMM C37H65N9O13S4 971.3585 NA PeJP NA NA +PJ107991 GSSSSCCRW C37H57N13O14S2 971.359 NA PeJP NA NA +PJ107992 AMMMYYY C45H61N7O11S3 971.3591 NA PeJP NA NA +PJ107993 SCNNYWW C45H53N11O12S 971.3596 NA PeJP NA NA +PJ107994 ACCCCKRW C38H61N13O9S4 971.3599 NA PeJP NA NA +PJ107995 GCNMHHHH C38H53N17O10S2 971.3603 NA PeJP NA NA +PJ107996 GSSSSSSCDR C33H57N13O19S 971.3615 NA PeJP NA NA +PJ107997 SSSNNDYW C41H53N11O17 971.3621 NA PeJP NA NA +PJ107998 GGGGPPDDDW C41H53N11O17 971.3622 NA PeJP NA NA +PJ107999 GSSSCNMMR C34H61N13O14S3 971.3623 NA PeJP NA NA +PJ108000 GGGSSSCMMR C34H61N13O14S3 971.3624 NA PeJP NA NA +PJ108001 NNNMMYW C42H57N11O12S2 971.363 NA PeJP NA NA +PJ108002 CEYWWW C50H53N9O10S 971.3636 NA PeJP NA NA +PJ108003 SSSSSSNMW C38H57N11O17S 971.3655 NA PeJP NA NA +PJ108004 SSDEYWW C46H53N9O15 971.3661 NA PeJP NA NA +PJ108005 GGPDDYYW C46H53N9O15 971.3662 NA PeJP NA NA +PJ108006 SSCCQKMW C39H61N11O12S3 971.3664 NA PeJP NA NA +PJ108007 GCNNNQHW C39H53N15O13S 971.3668 NA PeJP NA NA +PJ108008 GGGGGCNQHW C39H53N15O13S 971.3669 NA PeJP NA NA +PJ108009 SPCMYWW C47H57N9O10S2 971.367 NA PeJP NA NA +PJ108010 CCMHHRW C40H57N15O8S3 971.3677 NA PeJP NA NA +PJ108011 SSSSSSSSQE C34H57N11O22 971.368 NA PeJP NA NA +PJ108012 SSSSSQQMM C35H61N11O17S2 971.3689 NA PeJP NA NA +PJ108013 SNNDDDHR C35H53N15O18 971.3693 NA PeJP NA NA +MJ098940 Oligostatin D C37H65NO28 971.36931 NA MeJP NA NA +PJ108014 GGSNDDDHR C35H53N15O18 971.3694 NA PeJP NA NA +PJ108015 SQEEMYW C43H57N9O15S 971.3695 NA PeJP NA NA +PJ108016 GSEMMMMR C36H65N11O12S4 971.3697 NA PeJP NA NA +PJ108017 GGGGTCKMMM C36H65N11O12S4 971.3698 NA PeJP NA NA +PJ108018 DYYYYW C51H53N7O13 971.3702 NA PeJP NA NA +PJ108019 STMMMWW C44H61N9O10S3 971.3704 NA PeJP NA NA +PJ108020 CNEHHFW C44H53N13O11S 971.3709 NA PeJP NA NA +PJ108021 SSTQEEEY C39H57N9O20 971.372 NA PeJP NA NA +PJ108022 SSTTEMMW C40H61N9O15S2 971.3729 NA PeJP NA NA +PJ108023 GNNNNNYY C40H53N13O16 971.3733 NA PeJP NA NA +PJ108024 DDDEHRW C40H53N13O16 971.3734 NA PeJP NA NA +PJ108025 PTCYYYY C48H57N7O13S 971.3735 NA PeJP NA NA +PJ108026 GSSTCCCRR C33H61N15O13S3 971.3736 NA PeJP NA NA +PJ108027 DKMMMMW C41H65N9O10S4 971.3738 NA PeJP NA NA +PJ108028 CCNQRYW C41H57N13O11S2 971.3742 NA PeJP NA NA +PJ108029 GGGGAPCMHW C41H57N13O11S2 971.3743 NA PeJP NA NA +PJ108030 CMMFFFF C49H61N7O8S3 971.3744 NA PeJP NA NA +PJ108031 SSSTTTEEM C36H61N9O20S 971.3754 NA PeJP NA NA +PJ108032 SSKEEMMM C37H65N9O15S3 971.3763 NA PeJP NA NA +PJ108033 SSCNNERY C37H57N13O16S 971.3767 NA PeJP NA NA +PJ108034 GGGGAQEEMH C37H57N13O16S 971.3768 NA PeJP NA NA +PJ108035 TTMMYYY C45H61N7O13S2 971.3769 NA PeJP NA NA +PJ108036 GLQMMMMM C38H69N9O10S5 971.3771 NA PeJP NA NA +PJ108037 GEEEHWW C45H53N11O14 971.3774 NA PeJP NA NA +PJ108038 SSCCCKRW C38H61N13O11S3 971.3776 NA PeJP NA NA +PJ108039 SSCQHHHH C38H53N17O12S 971.3781 NA PeJP NA NA +PJ108040 SSSSSCQMR C34H61N13O16S2 971.3801 NA PeJP NA NA +PJ108041 GSSNQMYW C42H57N11O14S 971.3807 NA PeJP NA NA +PJ108042 SDDMRYW C42H57N11O14S 971.3808 NA PeJP NA NA +PJ108043 SCCNKMMR C35H65N13O11S4 971.381 NA PeJP NA NA +PJ108044 GDDFFWW C50H53N9O12 971.3814 NA PeJP NA NA +PJ108045 APPCMMHW C43H61N11O9S3 971.3816 NA PeJP NA NA +PJ108046 GSSSSSSSTW C38H57N11O19 971.3832 NA PeJP NA NA +PJ108047 SSSDEERY C38H57N11O19 971.3833 NA PeJP NA NA +PJ108048 GSSSSCKMW C39H61N11O14S2 971.3841 NA PeJP NA NA +PJ108049 GGGGAPPPCEM C39H61N11O14S2 971.3842 NA PeJP NA NA +PJ108050 SSNNNNHW C39H53N15O15 971.3846 NA PeJP NA NA +PJ108051 GTEMYWW C47H57N9O12S 971.3848 NA PeJP NA NA +PJ108052 SMMMMRW C40H65N11O9S4 971.385 NA PeJP NA NA +PJ108053 GPCCNHRW C40H57N15O10S2 971.3855 NA PeJP NA NA +PJ108054 GCHHFWW C48H53N13O8S 971.3861 NA PeJP NA NA +PJ108055 GSSSSSSDKM C35H61N11O19S 971.3866 NA PeJP NA NA +PJ108056 GSTTEEYW C43H57N9O17 971.3873 NA PeJP NA NA +PJ108057 SSTEMMMR C36H65N11O14S3 971.3875 NA PeJP NA NA +PJ108058 GNNDEMHR C36H57N15O15S 971.388 NA PeJP NA NA +PJ108059 VNEMMYW C44H61N9O12S2 971.3881 NA PeJP NA NA +PJ108060 GGVEMMYW C44H61N9O12S2 971.3882 NA PeJP NA NA +PJ108061 AAMMMMMR C37H69N11O9S5 971.3884 NA PeJP NA NA +PJ108062 SNNEHWW C44H53N13O13 971.3886 NA PeJP NA NA +PJ108063 MFYYYW C52H57N7O10S 971.3888 NA PeJP NA NA +PJ108064 GGACCCFRR C37H61N15O10S3 971.3889 NA PeJP NA NA +PJ108065 ATTQEEMY C40H61N9O17S 971.3906 NA PeJP NA NA +PJ108066 GSKEEEMY C40H61N9O17S 971.3907 NA PeJP NA NA +PJ108067 ATEYYYY C48H57N7O15 971.3913 NA PeJP NA NA +PJ108068 SSSLMMMW C41H65N9O12S3 971.3915 NA PeJP NA NA +PJ108069 GSSCNRYW C41H57N13O13S 971.392 NA PeJP NA NA +PJ108070 AMMFFYY C49H61N7O10S2 971.3922 NA PeJP NA NA +PJ108071 EEHWWW C49H53N11O11 971.3926 NA PeJP NA NA +PJ108072 CKMMHHW C42H61N13O8S3 971.3929 NA PeJP NA NA +PJ108073 SSSSTLEMM C37H65N9O17S2 971.394 NA PeJP NA NA +PJ108074 GSSSSNDRY C37H57N13O18 971.3945 NA PeJP NA NA +PJ108075 ATKEMMMM C38H69N9O12S4 971.3949 NA PeJP NA NA +PJ108076 SVCCNQRY C38H61N13O13S2 971.3953 NA PeJP NA NA +PJ108077 CDEMRRY C38H61N13O13S2 971.3954 NA PeJP NA NA +PJ108078 GSSSSHHHH C38H53N17O14 971.3958 NA PeJP NA NA +PJ108079 GGGGGQEHHH C38H53N17O14 971.3959 NA PeJP NA NA +PJ108080 SPEMHWW C46H57N11O11S 971.396 NA PeJP NA NA +PJ108081 ACCKHHHH C39H57N17O9S2 971.3967 NA PeJP NA NA +PJ108082 GSSSSSSSMR C34H61N13O18S 971.3979 NA PeJP NA NA +PJ108083 SSSSQQYW C42H57N11O16 971.3985 NA PeJP NA NA +PJ108084 GSSTCCKMR C35H65N13O13S3 971.3987 NA PeJP NA NA +PJ108085 GCNDDHRR C35H57N17O14S 971.3992 NA PeJP NA NA +PJ108086 GEMMRYW C43H61N11O11S2 971.3994 NA PeJP NA NA +PJ108087 GSPDHHHW C43H53N15O12 971.3999 NA PeJP NA NA +PJ108088 TMYWWW C51H57N9O9S 971.4 NA PeJP NA NA +PJ108089 SSSSSTCKW C39H61N11O16S 971.4019 NA PeJP NA NA +PJ108090 STTEYWW C47H57N9O14 971.4025 NA PeJP NA NA +PJ108091 SSCCKKMW C40H65N11O11S3 971.4028 NA PeJP NA NA +PJ108092 NNDMHRW C40H57N15O12S 971.4032 NA PeJP NA NA +PJ108093 GVMMYWW C48H61N9O9S2 971.4034 NA PeJP NA NA +PJ108094 GSNHWWW C48H53N13O10 971.4039 NA PeJP NA NA +PJ108095 SSSSSSSSKE C35H61N11O21 971.4044 NA PeJP NA NA +PJ108096 MHHHHHH C41H53N19O8S 971.4046 NA PeJP NA NA +PJ108097 SSSSSQKMM C36H65N11O16S2 971.4052 NA PeJP NA NA +PJ108098 GGSSSSTKMM C36H65N11O16S2 971.4053 NA PeJP NA NA +PJ108099 SSNNEEHR C36H57N15O17 971.4057 NA PeJP NA NA +PJ108100 GGGGGGPNDER C36H57N15O17 971.4058 NA PeJP NA NA +PJ108101 SKEEMYW C44H61N9O14S 971.4059 NA PeJP NA NA +PJ108102 ATTMMMMR C37H69N11O11S4 971.4061 NA PeJP NA NA +PJ108103 GPFYYYY C52H57N7O12 971.4065 NA PeJP NA NA +PJ108104 GEFFFYY C52H57N7O12 971.4066 NA PeJP NA NA +PJ108105 VQMMMFW C45H65N9O9S3 971.4068 NA PeJP NA NA +PJ108106 GQQMHWW C45H57N13O10S 971.4072 NA PeJP NA NA +PJ108107 GGAQMHWW C45H57N13O10S 971.4073 NA PeJP NA NA +PJ108108 SSTKEEEY C40H61N9O19 971.4084 NA PeJP NA NA +PJ108109 TTTTTMMW C41H65N9O14S2 971.4093 NA PeJP NA NA +PJ108110 SEEEHRW C41H57N13O15 971.4097 NA PeJP NA NA +PJ108111 TDEEHRW C41H57N13O15 971.4098 NA PeJP NA NA +PJ108112 GLMYYYY C49H61N7O12S 971.4099 NA PeJP NA NA +PJ108113 GPKMMMMF C42H69N9O9S4 971.4102 NA PeJP NA NA +PJ108114 CCNKRYW C42H61N13O10S2 971.4106 NA PeJP NA NA +PJ108115 NNQHHHW C42H53N17O11 971.4111 NA PeJP NA NA +PJ108116 PPCHFWW C50H57N11O8S 971.4113 NA PeJP NA NA +PJ108117 STTTTTTEM C37H65N9O19S 971.4118 NA PeJP NA NA +PJ108118 TTTKEMMM C38H69N9O14S3 971.4126 NA PeJP NA NA +PJ108119 SSSNQMRY C38H61N13O15S 971.4131 NA PeJP NA NA +PJ108120 GGGGGGGGAPPTM C38H61N13O15S 971.4132 NA PeJP NA NA +PJ108121 GLKMMMMM C39H73N9O9S5 971.4135 NA PeJP NA NA +PJ108122 SVEEHWW C46H57N11O13 971.4138 NA PeJP NA NA +PJ108123 CEMMFRR C39H65N13O10S3 971.414 NA PeJP NA NA +PJ108124 GPCEHHHR C39H57N17O11S 971.4145 NA PeJP NA NA +PJ108125 MMRYWW C47H61N11O8S2 971.4146 NA PeJP NA NA +PJ108126 SSSSSSSSTR C34H61N13O20 971.4156 NA PeJP NA NA +PJ108127 SSSSSCKMR C35H65N13O15S2 971.4165 NA PeJP NA NA +PJ108128 GSSSNNNHR C35H57N17O16 971.417 NA PeJP NA NA +PJ108129 STEMRYW C43H61N11O13S 971.4171 NA PeJP NA NA +PJ108130 GALEEMHW C43H61N11O13S 971.4172 NA PeJP NA NA +PJ108131 TCCCKKMR C36H69N13O10S4 971.4174 NA PeJP NA NA +PJ108132 GPTYYWW C51H57N9O11 971.4178 NA PeJP NA NA +PJ108133 AMMMFRW C44H65N11O8S3 971.418 NA PeJP NA NA +PJ108134 GCQHRWW C44H57N15O9S 971.4185 NA PeJP NA NA +PJ108135 SSTTEERY C39H61N11O18 971.4196 NA PeJP NA NA +PJ108136 SPPEEEER C39H61N11O18 971.4197 NA PeJP NA NA +PJ108137 DKEMMRY C40H65N11O13S2 971.4205 NA PeJP NA NA +PJ108138 GSSNEHRW C40H57N15O14 971.421 NA PeJP NA NA +PJ108139 SSLMYWW C48H61N9O11S 971.4211 NA PeJP NA NA +PJ108140 PVNMYYW C48H61N9O11S 971.4212 NA PeJP NA NA +PJ108141 FFFYYW C56H57N7O9 971.4218 NA PeJP NA NA +PJ108142 NMMHHFR C41H61N15O9S2 971.4219 NA PeJP NA NA +PJ108143 GPNHHHHH C41H53N19O10 971.4223 NA PeJP NA NA +PJ108144 GSSSSSTTKM C36H65N11O18S 971.423 NA PeJP NA NA +PJ108145 GSSPPTTYY C44H61N9O16 971.4236 NA PeJP NA NA +PJ108146 SSSTLEYW C44H61N9O16 971.4237 NA PeJP NA NA +PJ108147 TTTTMMMR C37H69N11O13S3 971.4239 NA PeJP NA NA +PJ108148 SSSCNRRY C37H61N15O14S 971.4243 NA PeJP NA NA +PJ108149 DEEMHRR C37H61N15O14S 971.4244 NA PeJP NA NA +PJ108150 VDKMMYW C45H65N9O11S2 971.4245 NA PeJP NA NA +PJ108151 SNDKHWW C45H57N13O12 971.425 NA PeJP NA NA +PJ108152 AMFFFFY C53H61N7O9S 971.4252 NA PeJP NA NA +PJ108153 ATTKEEMY C41H65N9O16S 971.427 NA PeJP NA NA +PJ108154 APPVVDDEM C41H65N9O16S 971.4271 NA PeJP NA NA +PJ108155 STLYYYY C49H61N7O14 971.4277 NA PeJP NA NA +PJ108156 APTKMMMY C42H69N9O11S3 971.4279 NA PeJP NA NA +PJ108157 VDEMHRW C42H61N13O12S 971.4284 NA PeJP NA NA +PJ108158 SPPNWWW C50H57N11O10 971.429 NA PeJP NA NA +PJ108159 PCHHHRW C43H57N17O8S 971.4297 NA PeJP NA NA +PJ108160 SSTTTTLMM C38H69N9O16S2 971.4304 NA PeJP NA NA +PJ108161 GSSSSTQRY C38H61N13O17 971.4309 NA PeJP NA NA +PJ108162 STLKMMMM C39H73N9O11S4 971.4313 NA PeJP NA NA +PJ108163 SEMMRRY C39H65N13O12S2 971.4317 NA PeJP NA NA +PJ108164 GCCDKKRY C39H65N13O12S2 971.4318 NA PeJP NA NA +PJ108165 GNNNNHFR C39H57N17O13 971.4322 NA PeJP NA NA +PJ108166 GGGGGGGGGHFR C39H57N17O13 971.4323 NA PeJP NA NA +PJ108167 ALEMHWW C47H61N11O10S 971.4324 NA PeJP NA NA +PJ108168 TFFWWW C55H57N9O8 971.433 NA PeJP NA NA +PJ108169 SSSSQKYW C43H61N11O15 971.4349 NA PeJP NA NA +PJ108170 GSNDMHRR C36H61N17O13S 971.4356 NA PeJP NA NA +PJ108171 SVMMRYW C44H65N11O10S2 971.4358 NA PeJP NA NA +PJ108172 SSNHRWW C44H57N15O11 971.4362 NA PeJP NA NA +PJ108173 GGLEHHHW C44H57N15O11 971.4363 NA PeJP NA NA +PJ108174 GVMFFWW C52H61N9O8S 971.4364 NA PeJP NA NA +PJ108175 SSSLEMRY C40H65N11O15S 971.4383 NA PeJP NA NA +PJ108176 SPKEYYW C48H61N9O13 971.4389 NA PeJP NA NA +PJ108177 LQMMMRY C41H69N11O10S3 971.4391 NA PeJP NA NA +PJ108178 GGACKKMMF C41H69N11O10S3 971.4392 NA PeJP NA NA +PJ108179 SQQMHRW C41H61N15O11S 971.4396 NA PeJP NA NA +PJ108180 LMMHFFF C49H65N9O8S2 971.4398 NA PeJP NA NA +PJ108181 AQHHFFW C49H57N13O9 971.4403 NA PeJP NA NA +PJ108182 SSSSSSTTTK C36H65N11O20 971.4407 NA PeJP NA NA +PJ108183 SSSSSKKMM C37H69N11O15S2 971.4416 NA PeJP NA NA +PJ108184 GPNDEERR C37H61N15O16 971.4421 NA PeJP NA NA +PJ108185 GGGGGGGGGGGPTK C37H61N15O16 971.4422 NA PeJP NA NA +PJ108186 GTTTLMYW C45H65N9O13S 971.4423 NA PeJP NA NA +PJ108187 TCCKKKMM C38H73N11O10S4 971.4425 NA PeJP NA NA +PJ108188 GLFFYYY C53H61N7O11 971.4429 NA PeJP NA NA +PJ108189 GSCCKRRY C38H65N15O11S2 971.443 NA PeJP NA NA +PJ108190 VKMMMFW C46H69N9O8S3 971.4432 NA PeJP NA NA +PJ108191 DDHHHRR C38H57N19O12 971.4435 NA PeJP NA NA +PJ108192 PPCQRWW C46H61N13O9S 971.4436 NA PeJP NA NA +PJ108193 TTTTKEEY C41H65N9O18 971.4448 NA PeJP NA NA +PJ108194 GTLKEMMY C42H69N9O13S2 971.4457 NA PeJP NA NA +PJ108195 PQQEERW C42H61N13O14 971.4461 NA PeJP NA NA +PJ108196 AAAAPDDRW C42H61N13O14 971.4462 NA PeJP NA NA +PJ108197 APCCKKHW C43H65N13O9S2 971.447 NA PeJP NA NA +PJ108198 AEHHHRW C43H57N17O10 971.4475 NA PeJP NA NA +PJ108199 MFFRWW C51H61N11O7S 971.4477 NA PeJP NA NA +PJ108200 SSSNKMRY C39H65N13O14S 971.4495 NA PeJP NA NA +PJ108201 TTLEHWW C47H61N11O12 971.4501 NA PeJP NA NA +PJ108202 PVQQEWW C47H61N11O12 971.4502 NA PeJP NA NA +PJ108203 CLMMRRY C40H69N13O9S3 971.4504 NA PeJP NA NA +PJ108204 SCQHRRW C40H61N17O10S 971.4508 NA PeJP NA NA +PJ108205 GGTCHRRW C40H61N17O10S 971.4509 NA PeJP NA NA +PJ108206 GLHHHWW C48H57N15O8 971.4515 NA PeJP NA NA +PJ108207 SSSNEHRR C36H61N17O15 971.4533 NA PeJP NA NA +PJ108208 GGSSSEHRR C36H61N17O15 971.4534 NA PeJP NA NA +PJ108209 GSTCKKYW C44H65N11O12S 971.4535 NA PeJP NA NA +PJ108210 GGGGGPPPVMF C44H65N11O12S 971.4536 NA PeJP NA NA +PJ108211 AALYYWW C52H61N9O10 971.4542 NA PeJP NA NA +PJ108212 GCKHRWW C45H61N15O8S 971.4549 NA PeJP NA NA +PJ108213 TTTTTERY C40H65N11O17 971.456 NA PeJP NA NA +PJ108214 GGGGPLKEEE C40H65N11O17 971.4561 NA PeJP NA NA +PJ108215 GTTLMMRY C41H69N11O12S2 971.4569 NA PeJP NA NA +PJ108216 SNNRRYY C41H61N15O13 971.4573 NA PeJP NA NA +PJ108217 PNDERRW C41H61N15O13 971.4574 NA PeJP NA NA +PJ108218 PCLKYYW C49H65N9O10S 971.4575 NA PeJP NA NA +PJ108219 GGVLMFYW C49H65N9O10S 971.4576 NA PeJP NA NA +PJ108220 AFFFFFF C57H61N7O8 971.4582 NA PeJP NA NA +PJ108221 STTTTLYW C45H65N9O15 971.46 NA PeJP NA NA +PJ108222 GPLLEEEW C45H65N9O15 971.4601 NA PeJP NA NA +PJ108223 SPPNDMRR C38H65N15O13S 971.4607 NA PeJP NA NA +PJ108224 GGSPPDMRR C38H65N15O13S 971.4608 NA PeJP NA NA +PJ108225 TLKMMYW C46H69N9O10S2 971.4609 NA PeJP NA NA +PJ108226 APQERWW C46H61N13O11 971.4614 NA PeJP NA NA +PJ108227 STTLKEMY C42H69N9O15S 971.4634 NA PeJP NA NA +PJ108228 GVLKMMMY C43H73N9O10S3 971.4643 NA PeJP NA NA +PJ108229 GNNNNQRR C35H61N19O14 971.4646 NA PeJP NA NA +PJ108230 SPMRRYY C43H65N13O11S 971.4647 NA PeJP NA NA +PJ108231 TLEMHRW C43H65N13O11S 971.4648 NA PeJP NA NA +PJ108232 GPLQWWW C51H61N11O9 971.4654 NA PeJP NA NA +PJ108233 CNMHRRR C36H65N19O9S2 971.4655 NA PeJP NA NA +PJ108234 GSSSSTKRY C39H65N13O16 971.4672 NA PeJP NA NA +PJ108235 ASSSSSKRY C39H65N13O16 971.4673 NA PeJP NA NA +PJ108236 GSCKKMRY C40H69N13O11S2 971.4681 NA PeJP NA NA +PJ108237 GGGGPPLMMR C40H69N13O11S2 971.4682 NA PeJP NA NA +PJ108238 GSSSHRRW C40H61N17O12 971.4686 NA PeJP NA NA +PJ108239 SLLMHWW C48H65N11O9S 971.4688 NA PeJP NA NA +PJ108240 SSSSKKYW C44H65N11O14 971.4713 NA PeJP NA NA +PJ108241 GSTQMHRR C37H65N17O12S 971.472 NA PeJP NA NA +PJ108242 AALLMMHW C45H69N11O9S2 971.4722 NA PeJP NA NA +PJ108243 GPDRRWW C45H61N15O10 971.4726 NA PeJP NA NA +PJ108244 STTTLMRY C41H69N11O14S 971.4746 NA PeJP NA NA +PJ108245 GGSTTKKMY C41H69N11O14S 971.4747 NA PeJP NA NA +PJ108246 PLLEEWW C49H65N9O12 971.4753 NA PeJP NA NA +PJ108247 LKMMMRY C42H73N11O9S3 971.4755 NA PeJP NA NA +PJ108248 GPPTCRRW C42H65N15O10S 971.476 NA PeJP NA NA +PJ108249 AAPRWWW C50H61N13O8 971.4767 NA PeJP NA NA +PJ108250 GPTQEERR C38H65N15O15 971.4785 NA PeJP NA NA +PJ108251 SPPLLEMW C46H69N9O12S 971.4787 NA PeJP NA NA +PJ108252 LEMMHRR C39H69N15O10S2 971.4794 NA PeJP NA NA +PJ108253 TEHHHRR C39H61N19O11 971.4798 NA PeJP NA NA +PJ108254 GGGSKHHHR C39H61N19O11 971.4799 NA PeJP NA NA +PJ108255 PPCKRWW C47H65N13O8S 971.48 NA PeJP NA NA +PJ108256 SSSTTTLLY C42H69N9O17 971.4812 NA PeJP NA NA +PJ108257 SSLLKMMY C43H73N9O12S2 971.482 NA PeJP NA NA +PJ108258 AAPPLLEMM C43H73N9O12S2 971.4821 NA PeJP NA NA +PJ108259 PQKEERW C43H65N13O13 971.4825 NA PeJP NA NA +PJ108260 GGGGGGGAALLW C43H65N13O13 971.4826 NA PeJP NA NA +PJ108261 GSTCHRRR C36H65N19O11S 971.4832 NA PeJP NA NA +PJ108262 VLMMHRW C44H69N13O8S2 971.4834 NA PeJP NA NA +PJ108263 GNHFRRW C44H61N17O9 971.4839 NA PeJP NA NA +PJ108264 SSTCKKRY C40H69N13O13S 971.4859 NA PeJP NA NA +PJ108265 PVQKEWW C48H65N11O11 971.4865 NA PeJP NA NA +PJ108266 GGPLKEWW C48H65N11O11 971.4866 NA PeJP NA NA +PJ108267 SCKHRRW C41H65N17O9S 971.4872 NA PeJP NA NA +PJ108268 GSPDERRR C37H65N17O14 971.4897 NA PeJP NA NA +PJ108269 GGGGGVQERR C37H65N17O14 971.4898 NA PeJP NA NA +PJ108270 ATTLLMHW C45H69N11O11S 971.4899 NA PeJP NA NA +PJ108271 PTKFFFW C53H65N9O9 971.4906 NA PeJP NA NA +PJ108272 GSSTTTKKY C41H69N11O16 971.4924 NA PeJP NA NA +PJ108273 GSKKKMMY C42H73N11O11S2 971.4933 NA PeJP NA NA +PJ108274 VQQQQRW C42H65N15O12 971.4937 NA PeJP NA NA +PJ108275 PTQERRW C42H65N15O12 971.4938 NA PeJP NA NA +PJ108276 VVKMFYW C50H69N9O9S 971.4939 NA PeJP NA NA +PJ108277 SPVLLEEW C46H69N9O14 971.4964 NA PeJP NA NA +PJ108278 GPPVVVEEF C46H69N9O14 971.4965 NA PeJP NA NA +PJ108279 GPVQEMRR C39H69N15O12S 971.4971 NA PeJP NA NA +PJ108280 GGGGGGPVKMR C39H69N15O12S 971.4972 NA PeJP NA NA +PJ108281 PPVVLMMW C47H73N9O9S2 971.4973 NA PeJP NA NA +PJ108282 APKERWW C47H65N13O10 971.4978 NA PeJP NA NA +PJ108283 VMHHHRR C40H65N19O8S 971.4985 NA PeJP NA NA +PJ108284 PLLLQEEM C43H73N9O14S 971.4998 NA PeJP NA NA +PJ108285 SSSSHRRR C36H65N19O13 971.501 NA PeJP NA NA +PJ108286 DKKKMHW C44H69N13O10S 971.5011 NA PeJP NA NA +PJ108287 GPPTKMRW C44H69N13O10S 971.5012 NA PeJP NA NA +PJ108288 GPLKWWW C52H65N11O8 971.5018 NA PeJP NA NA +PJ108289 AVLQQEER C40H69N13O15 971.5036 NA PeJP NA NA +PJ108290 GPKKEEER C40H69N13O15 971.5037 NA PeJP NA NA +PJ108291 ATLLMMHR C41H73N13O10S2 971.5045 NA PeJP NA NA +PJ108292 SPDRRRW C41H65N17O11 971.505 NA PeJP NA NA +PJ108293 PPKKMWW C49H69N11O8S 971.5052 NA PeJP NA NA +PJ108294 TTTTLLHW C45H69N11O13 971.5077 NA PeJP NA NA +PJ108295 PQEMRRR C38H69N17O11S 971.5084 NA PeJP NA NA +PJ108296 LKMMFFR C46H73N11O8S2 971.5085 NA PeJP NA NA +PJ108297 APTRRWW C46H65N15O9 971.509 NA PeJP NA NA +PJ108298 SSTKKKMY C42H73N11O13S 971.511 NA PeJP NA NA +PJ108299 PVVLEEMR C42H73N11O13S 971.5111 NA PeJP NA NA +PJ108300 SLLKYYW C50H69N9O11 971.5117 NA PeJP NA NA +PJ108301 PVQMRRW C43H69N15O9S 971.5124 NA PeJP NA NA +PJ108302 GPTKEERR C39H69N15O14 971.5149 NA PeJP NA NA +PJ108303 APLLLEMW C47H73N9O11S 971.5151 NA PeJP NA NA +PJ108304 GPPKMMRR C40H73N15O9S2 971.5158 NA PeJP NA NA +PJ108305 GNQRRRW C40H65N19O10 971.5162 NA PeJP NA NA +PJ108306 VLLLQEEE C43H73N9O16 971.5176 NA PeJP NA NA +PJ108307 GPPTLLLMM C44H77N9O11S2 971.5184 NA PeJP NA NA +PJ108308 PKKEERW C44H69N13O12 971.5189 NA PeJP NA NA +PJ108309 PCERRRR C37H69N19O10S 971.5196 NA PeJP NA NA +PJ108310 TTTLLMHR C41H73N13O12S 971.5223 NA PeJP NA NA +PJ108311 PVKKEWW C49H69N11O10 971.5229 NA PeJP NA NA +PJ108312 APMRRRW C42H69N17O8S 971.5236 NA PeJP NA NA +PJ108313 VQEERRR C38H69N17O13 971.5261 NA PeJP NA NA +PJ108314 GGGGGGGAAKKR C38H69N17O13 971.5262 NA PeJP NA NA +PJ108315 SPPVKKMW C46H73N11O10S 971.5263 NA PeJP NA NA +PJ108316 VVKFFFW C54H69N9O8 971.527 NA PeJP NA NA +PJ108317 PNHHRRR C39H65N21O9 971.5275 NA PeJP NA NA +PJ108318 ALLLEEER C42H73N11O15 971.5288 NA PeJP NA NA +PJ108319 SLLLKMMH C43H77N11O10S2 971.5297 NA PeJP NA NA +PJ108320 PTKERRW C43H69N15O11 971.5301 NA PeJP NA NA +PJ108321 GGVLERRW C43H69N15O11 971.5302 NA PeJP NA NA +PJ108322 GLLLLEEW C47H73N9O13 971.5328 NA PeJP NA NA +PJ108323 GPVKEMRR C40H73N15O11S 971.5335 NA PeJP NA NA +PJ108324 SPLKRWW C48H69N13O9 971.5342 NA PeJP NA NA +PJ108325 PLLLKEEM C44H77N9O13S 971.5362 NA PeJP NA NA +PJ108326 TQQQRRR C37H69N19O12 971.5373 NA PeJP NA NA +PJ108327 AEERRRR C37H69N19O12 971.5374 NA PeJP NA NA +PJ108328 AAPLKMRW C45H73N13O9S 971.5375 NA PeJP NA NA +PJ108329 SPVKKEER C41H73N13O14 971.54 NA PeJP NA NA +PJ108330 GGALLKEER C41H73N13O14 971.5401 NA PeJP NA NA +PJ108331 PPCLKKMR C42H77N13O9S2 971.5409 NA PeJP NA NA +PJ108332 GLERRRW C42H69N17O10 971.5414 NA PeJP NA NA +PJ108333 APTLKKEW C46H73N11O12 971.5441 NA PeJP NA NA +PJ108334 PKEMRRR C39H73N17O10S 971.5448 NA PeJP NA NA +PJ108335 GVLRRWW C47H69N15O8 971.5454 NA PeJP NA NA +PJ108336 PTLLLEMR C43H77N11O12S 971.5474 NA PeJP NA NA +PJ108337 GGGGAALLLLM C43H77N11O12S 971.5475 NA PeJP NA NA +PJ108338 LLLLEWW C51H73N9O10 971.5481 NA PeJP NA NA +PJ108339 SNQRRRR C36H69N21O11 971.5486 NA PeJP NA NA +PJ108340 PVKMRRW C44H73N15O8S 971.5488 NA PeJP NA NA +PJ108341 AALKEERR C40H73N15O13 971.5513 NA PeJP NA NA +PJ108342 SPLLLLMW C48H77N9O10S 971.5515 NA PeJP NA NA +PJ108343 GNKRRRW C41H69N19O9 971.5526 NA PeJP NA NA +PJ108344 SSPTLLLLE C44H77N9O15 971.5539 NA PeJP NA NA +PJ108345 VLLLKEEE C44H77N9O15 971.554 NA PeJP NA NA +PJ108346 AAPLLLLMM C45H81N9O10S2 971.5548 NA PeJP NA NA +PJ108347 LLQKERW C45H73N13O11 971.5553 NA PeJP NA NA +PJ108348 PTMRRRR C38H73N19O9S 971.556 NA PeJP NA NA +PJ108349 LRRRWW C46H69N17O7 971.5566 NA PeJP NA NA +PJ108350 APLKKEMR C42H77N13O11S 971.5587 NA PeJP NA NA +PJ108351 VLLQKWW C50H73N11O9 971.5593 NA PeJP NA NA +PJ108352 VKEERRR C39H73N17O12 971.5625 NA PeJP NA NA +PJ108353 GPLLKKMW C47H77N11O9S 971.5627 NA PeJP NA NA +PJ108354 SLLLLEER C43H77N11O14 971.5652 NA PeJP NA NA +PJ108355 PVLLLMMR C44H81N11O9S2 971.5661 NA PeJP NA NA +PJ108356 VVKERRW C44H73N15O10 971.5665 NA PeJP NA NA +PJ108357 SVLLLLEW C48H77N9O12 971.5692 NA PeJP NA NA +PJ108358 APTLKMRR C41H77N15O10S 971.5699 NA PeJP NA NA +PJ108359 ALLKRWW C49H73N13O8 971.5706 NA PeJP NA NA +PJ108360 LLLLLQEM C45H81N9O12S 971.5726 NA PeJP NA NA +PJ108361 SLERRRR C38H73N19O11 971.5737 NA PeJP NA NA +PJ108362 GGDKKRRR C38H73N19O11 971.5738 NA PeJP NA NA +PJ108363 GLLKKEER C42H77N13O13 971.5764 NA PeJP NA NA +PJ108364 SVLRRRW C43H73N17O9 971.5778 NA PeJP NA NA +PJ108365 AVVLKKEW C47H77N11O11 971.5804 NA PeJP NA NA +PJ108366 GVLLKKEW C47H77N11O11 971.5805 NA PeJP NA NA +PJ108367 LLQMRRR C40H77N17O9S 971.5811 NA PeJP NA NA +PJ108368 VVLLLEMR C44H81N11O11S 971.5838 NA PeJP NA NA +PJ108369 APLLLLFW C52H77N9O9 971.5845 NA PeJP NA NA +PJ108370 SNKRRRR C37H73N21O10 971.585 NA PeJP NA NA +PJ108371 GTLLKERR C41H77N15O12 971.5877 NA PeJP NA NA +PJ108372 ALLLLLMW C49H81N9O9S 971.5878 NA PeJP NA NA +PJ108373 GTTLLLLLE C45H81N9O14 971.5903 NA PeJP NA NA +PJ108374 LLKKERW C46H77N13O10 971.5917 NA PeJP NA NA +PJ108375 VVMRRRR C39H77N19O8S 971.5924 NA PeJP NA NA +PJ108376 SPLLKKMR C43H81N13O10S 971.595 NA PeJP NA NA +PJ108377 PVTLKKMR C43H81N13O10S 971.5951 NA PeJP NA NA +PJ108378 VLLKKWW C51H77N11O8 971.5957 NA PeJP NA NA +PJ108379 GTTLLRRR C40H77N17O11 971.5989 NA PeJP NA NA +PJ108380 VVLKKKEE C44H81N11O13 971.6016 NA PeJP NA NA +PJ108381 TLLKRRW C45H77N15O9 971.6029 NA PeJP NA NA +PJ108382 TTLLLLLW C49H81N9O11 971.6056 NA PeJP NA NA +PJ108383 GVLLKMRR C42H81N15O9S 971.6063 NA PeJP NA NA +PJ108384 LLLLLKEM C46H85N9O11S 971.609 NA PeJP NA NA +PJ108385 TQKKRRR C39H77N19O10 971.6101 NA PeJP NA NA +PJ108386 SVLLKKER C43H81N13O12 971.6128 NA PeJP NA NA +PJ108387 AKKKRRW C44H77N17O8 971.6141 NA PeJP NA NA +PJ108388 PLKFRRR C44H77N17O8 971.6142 NA PeJP NA NA +PJ108389 ATLLLKKW C48H81N11O10 971.6168 NA PeJP NA NA +PJ108390 LLKMRRR C41H81N17O8S 971.6175 NA PeJP NA NA +PJ108391 TLLLLLMR C45H85N11O10S 971.6202 NA PeJP NA NA +PJ108392 SSLLLKRR C42H81N15O11 971.624 NA PeJP NA NA +PJ108393 GAATLKKKR C42H81N15O11 971.6241 NA PeJP NA NA +PJ108394 SSTLLLLLL C46H85N9O13 971.6267 NA PeJP NA NA +PJ108395 AALKKKKW C47H81N13O9 971.6281 NA PeJP NA NA +PJ108396 ALLLKKMR C44H85N13O9S 971.6314 NA PeJP NA NA +PJ108397 KKKKERR C41H81N17O10 971.6353 NA PeJP NA NA +PJ108398 TLLLKKKE C45H85N11O12 971.638 NA PeJP NA NA +PJ108399 VKKKKRW C46H81N15O8 971.6393 NA PeJP NA NA +PJ108400 PLLLLLKY C50H85N9O10 971.642 NA PeJP NA NA +PJ108401 TKKKRRR C40H81N19O9 971.6465 NA PeJP NA NA +PJ108402 TTLLLKKR C44H85N13O11 971.6492 NA PeJP NA NA +PJ108403 VVLLLLFR C49H85N11O9 971.6532 NA PeJP NA NA +PJ108404 VLLLKKKM C46H89N11O9S 971.6566 NA PeJP NA NA +PJ108405 ATLKKKKR C43H85N15O10 971.6604 NA PeJP NA NA +MJ098941 Copiamycin; 21-O-Demalonyl C51H93N3O14 971.665754 NA MeJP NA NA +PJ108406 LLLLLLKF C51H89N9O9 971.6784 NA PeJP NA NA +PJ108407 SLLKKKKK C45H89N13O10 971.6856 NA PeJP NA NA +PJ108408 GKKKKKKK C44H89N15O9 971.6968 NA PeJP NA NA +HMDB04837 Galabiosylceramide (d18:1/24:1(15Z)) C54H101NO13 971.72729 http://www.hmdb.ca/metabolites/HMDB04837 HMDB NA NA +HMDB04872 Lactosylceramide (d18:1/24:1(15Z)) C54H101NO13 971.72729 http://www.hmdb.ca/metabolites/HMDB04872 HMDB NA NA +HMDB04837 Galabiosylceramide (d18:1/24:1(15Z)) C54H101NO13 971.72729 HMDB04837 PFEM_hmdb_metabocards_official NA NA +HMDB04872 Lactosylceramide (d18:1/24:1(15Z)) C54H101NO13 971.72729 HMDB04872 PFEM_hmdb_metabocards_official NA NA +HMDB04837 Galabiosylceramide (d18:1/24:1(15Z)) C54H101NO13 971.727295 NA HMDB2010 NA NA +HMDB04872 Lactosylceramide (d18:1/24:1(15Z)) C54H101NO13 971.727295 NA HMDB2010 NA NA +2680 NA VGNYMCHFGPITWVCRPGGG 971.96415 MH2+ Inhouse_peptide NA peptide +MJ098942 Eumaculin E C41H32O28 972.10801 NA MeJP NA NA +MJ098943 Neochebulagic acid C41H32O28 972.10801 NA MeJP NA NA +PJ108409 GCCCCCNMH C32H52N12O11S6 972.2203 NA PeJP NA NA +PJ108410 GCCCNDDDE C32H48N10O19S3 972.226 NA PeJP NA NA +PJ108411 CCCCCEFY C38H52N8O12S5 972.2309 NA PeJP NA NA +PJ108412 SSCCCCCQH C32H52N12O13S5 972.2381 NA PeJP NA NA +PJ108413 CCCNDDDW C36H48N10O16S3 972.2412 NA PeJP NA NA +PJ108414 SSCCNDDDD C32H48N10O21S2 972.2437 NA PeJP NA NA +PJ108415 SPCCCCNDE C33H52N10O16S4 972.2446 NA PeJP NA NA +PJ108416 CCCDMMMH C34H56N10O11S6 972.2455 NA PeJP NA NA +PJ108417 SCCCCEYY C38H52N8O14S4 972.2486 NA PeJP NA NA +PJ108418 CDDDDEMM C34H52N8O19S3 972.2511 NA PeJP NA NA +PJ108419 GSSSSCCCCH C32H52N12O15S4 972.2558 NA PeJP NA NA +PJ108420 GGGGGCCCNDM C32H52N12O15S4 972.2559 NA PeJP NA NA +PJ108421 ACCCCCCKH C33H56N12O10S6 972.2567 NA PeJP NA NA +PJ108422 GSPCCCCDW C37H52N10O13S4 972.2599 NA PeJP NA NA +PJ108423 GSCCNDDEM C33H52N10O18S3 972.2624 NA PeJP NA NA +PJ108424 GPCCCNDMM C34H56N10O13S5 972.2632 NA PeJP NA NA +PJ108425 CCCCMHHH C35H52N14O9S5 972.2646 NA PeJP NA NA +PJ108426 CDDDDDEF C37H48N8O21S 972.2655 NA PeJP NA NA +PJ108427 GCCCMMYY C39H56N8O11S5 972.2672 NA PeJP NA NA +PJ108428 CCDDDEHH C35H48N12O17S2 972.2702 NA PeJP NA NA +PJ108429 CCCCNNQW C36H52N12O12S4 972.2711 NA PeJP NA NA +PJ108430 GSCCCDDDR C32H52N12O17S3 972.2736 NA PeJP NA NA +PJ108431 GPCCCCCER C33H56N12O12S5 972.2745 NA PeJP NA NA +PJ108432 CNNDDDDY C36H48N10O20S 972.2767 NA PeJP NA NA +PJ108433 GGCNDDDDY C36H48N10O20S 972.2768 NA PeJP NA NA +PJ108434 SCCNDDMW C37H52N10O15S3 972.2776 NA PeJP NA NA +PJ108435 PCCCCQMW C38H56N10O10S5 972.2785 NA PeJP NA NA +PJ108436 SSSCNDDDM C33H52N10O20S2 972.2801 NA PeJP NA NA +PJ108437 CNNDDMMM C34H56N10O15S4 972.281 NA PeJP NA NA +PJ108438 GCCCDFYY C42H52N8O13S3 972.2816 NA PeJP NA NA +PJ108439 SCCMMMMH C35H60N10O10S6 972.2819 NA PeJP NA NA +PJ108440 GPCCCCNHH C35H52N14O11S4 972.2823 NA PeJP NA NA +PJ108441 SDDDDDEY C37H48N8O23 972.2833 NA PeJP NA NA +PJ108442 PCDDDDMY C38H52N8O18S2 972.2841 NA PeJP NA NA +PJ108443 STCCCMYY C39H56N8O13S4 972.285 NA PeJP NA NA +PJ108444 SDDDEMMM C35H56N8O18S3 972.2875 NA PeJP NA NA +PJ108445 PCDDMMMM C36H60N8O13S5 972.2884 NA PeJP NA NA +PJ108446 GSSCCCNNW C36H52N12O14S3 972.2888 NA PeJP NA NA +PJ108447 GGGSSCCCNW C36H52N12O14S3 972.2889 NA PeJP NA NA +PJ108448 PCCCCCRW C37H56N12O9S5 972.2897 NA PeJP NA NA +PJ108449 GSSSSCCNND C32H52N12O19S2 972.2913 NA PeJP NA NA +PJ108450 GGGSSSSCCND C32H52N12O19S2 972.2914 NA PeJP NA NA +PJ108451 CCCNDEMR C33H56N12O14S4 972.2922 NA PeJP NA NA +PJ108452 GSCCCEWW C41H52N10O12S3 972.2929 NA PeJP NA NA +PJ108453 GSSSCCDEW C37H52N10O17S2 972.2954 NA PeJP NA NA +PJ108454 GCCNEMMW C38H56N10O12S4 972.2962 NA PeJP NA NA +PJ108455 GGGCCEMMW C38H56N10O12S4 972.2963 NA PeJP NA NA +PJ108456 GSSSSSCDDE C33H52N10O22S 972.2979 NA PeJP NA NA +PJ108457 GSSCNDEMM C34H56N10O17S3 972.2987 NA PeJP NA NA +PJ108458 GGGSSCDEMM C34H56N10O17S3 972.2988 NA PeJP NA NA +PJ108459 GSCCDYYY C42H52N8O15S2 972.2994 NA PeJP NA NA +PJ108460 GSPCCNMMM C35H60N10O12S5 972.2996 NA PeJP NA NA +PJ108461 CCNNDMHH C35H52N14O13S3 972.3001 NA PeJP NA NA +PJ108462 GCCCMFFY C43H56N8O10S4 972.3003 NA PeJP NA NA +PJ108463 GDDDEEMY C38H52N8O20S 972.3019 NA PeJP NA NA +PJ108464 PCDDDMMF C39H56N8O15S3 972.3028 NA PeJP NA NA +PJ108465 ASCCCCNNR C32H56N14O13S4 972.3034 NA PeJP NA NA +PJ108466 CCCCDDRR C32H56N14O13S4 972.3035 NA PeJP NA NA +PJ108467 NNDDDDEH C35H48N12O21 972.3057 NA PeJP NA NA +PJ108468 GGNDDDDEH C35H48N12O21 972.3058 NA PeJP NA NA +PJ108469 GDEEMMMM C36H60N8O15S4 972.3061 NA PeJP NA NA +PJ108470 CCNNNNEY C36H52N12O16S2 972.3066 NA PeJP NA NA +PJ108471 GCCCDMRW C37H56N12O11S4 972.3075 NA PeJP NA NA +PJ108472 SCCCWWW C45H52N10O9S3 972.3081 NA PeJP NA NA +PJ108473 GSSCCDDMR C33H56N12O16S3 972.31 NA PeJP NA NA +PJ108474 SSSCCDWW C41H52N10O14S2 972.3106 NA PeJP NA NA +PJ108475 GPTCCCCMR C34H60N12O11S5 972.3109 NA PeJP NA NA +PJ108476 CCNMMWW C42H56N10O9S4 972.3115 NA PeJP NA NA +PJ108477 SSSSSCDDW C37H52N10O19S 972.3131 NA PeJP NA NA +PJ108478 SSCNDMMW C38H56N10O14S3 972.314 NA PeJP NA NA +PJ108479 PCCCCKMW C39H60N10O9S5 972.3149 NA PeJP NA NA +PJ108480 GCCCQHHW C39H52N14O10S3 972.3153 NA PeJP NA NA +PJ108481 GGACCCHHW C39H52N14O10S3 972.3154 NA PeJP NA NA +PJ108482 SSSSSSSDDD C33H52N10O24 972.3156 NA PeJP NA NA +PJ108483 SSSSNDDMM C34H56N10O19S2 972.3165 NA PeJP NA NA +MJ098944 ?-Cyclodextrin C36H60O30 972.31694 NA MeJP NA NA +MetaCyc04354 α-cyclodextrin [alfadex;cyclohexaamylose;cyclomaltohexaose;cyclomaltohexose;α-cycloamylose;cyclohexapentylose;α-dextrin;] C36H60O30 972.316941 10016-20-3 metacyc NA NA +PJ108484 DDDEMYW C42H52N8O17S 972.3171 NA PeJP NA NA +PJ108485 PCDDDDFF C42H52N8O17S 972.3172 NA PeJP NA NA +PJ108486 SNNDMMMM C35H60N10O14S4 972.3174 NA PeJP NA NA +PJ108487 GSSCCNEHH C35H52N14O15S2 972.3178 NA PeJP NA NA +PJ108488 GGGSSCCEHH C35H52N14O15S2 972.3179 NA PeJP NA NA +PJ108489 CCQMYYY C43H56N8O12S3 972.318 NA PeJP NA NA +PJ108490 SSDDEEEY C38H52N8O22 972.3197 NA PeJP NA NA +PJ108491 SPDDDMMY C39H56N8O17S2 972.3205 NA PeJP NA NA +PJ108492 GNDDDDHW C39H48N12O18 972.321 NA PeJP NA NA +PJ108493 SSSCCCNNR C32H56N14O15S3 972.3212 NA PeJP NA NA +PJ108494 DEMMMMW C40H60N8O12S4 972.3214 NA PeJP NA NA +PJ108495 GCCNNNYW C40H52N12O13S2 972.3219 NA PeJP NA NA +PJ108496 SSEEEMMM C36H60N8O17S3 972.3239 NA PeJP NA NA +PJ108497 GSSCNNNDY C36H52N12O18S 972.3244 NA PeJP NA NA +PJ108498 SPDMMMMM C37H64N8O12S5 972.3248 NA PeJP NA NA +PJ108499 SSCCCERW C37H56N12O13S3 972.3252 NA PeJP NA NA +PJ108500 GGGGGGCCQMF C37H56N12O13S3 972.3253 NA PeJP NA NA +PJ108501 CCNDFWW C45H52N10O11S2 972.3259 NA PeJP NA NA +PJ108502 PCCCHHHH C38H52N16O9S3 972.3266 NA PeJP NA NA +PJ108503 SSSSCCDER C33H56N12O18S2 972.3277 NA PeJP NA NA +PJ108504 GSCNDEYW C41H52N10O16S 972.3284 NA PeJP NA NA +PJ108505 SCCNEMMR C34H60N12O13S4 972.3286 NA PeJP NA NA +PJ108506 CCCRYYY C42H56N10O11S3 972.3292 NA PeJP NA NA +PJ108507 GSTCCMWW C42H56N10O11S3 972.3293 NA PeJP NA NA +PJ108508 GSSSNDDEY C37H52N10O21 972.3309 NA PeJP NA NA +PJ108509 ASSSTCCEW C38H56N10O16S2 972.3317 NA PeJP NA NA +PJ108510 GSSSSCEMW C38H56N10O16S2 972.3318 NA PeJP NA NA +PJ108511 GSCQMMMW C39H60N10O11S4 972.3326 NA PeJP NA NA +PJ108512 SSCCNHHW C39H52N14O12S2 972.3331 NA PeJP NA NA +PJ108513 GCCCFFFF C47H56N8O9S3 972.3333 NA PeJP NA NA +PJ108514 ASSSSSSDDM C34H56N10O21S 972.3342 NA PeJP NA NA +PJ108515 GSSSSSSDEM C34H56N10O21S 972.3343 NA PeJP NA NA +PJ108516 GPDDDEYY C42H52N8O19 972.3349 NA PeJP NA NA +PJ108517 GSSSNEMMM C35H60N10O16S3 972.3351 NA PeJP NA NA +PJ108518 SSSSCNDHH C35H52N14O17S 972.3356 NA PeJP NA NA +PJ108519 DDEMMFW C43H56N8O14S2 972.3358 NA PeJP NA NA +PJ108520 GNQMMMMM C36H64N10O11S5 972.336 NA PeJP NA NA +PJ108521 CCCNNNFR C36H56N14O12S3 972.3365 NA PeJP NA NA +PJ108522 GSEEEEMY C39H56N8O19S 972.3383 NA PeJP NA NA +PJ108523 GPDEMMMY C40H60N8O14S3 972.3392 NA PeJP NA NA +PJ108524 SPCNDDHW C40H52N12O15S 972.3396 NA PeJP NA NA +PJ108525 SCCCDMRR C33H60N14O12S4 972.3398 NA PeJP NA NA +PJ108526 GGGSCCCCKR C33H60N14O12S4 972.3399 NA PeJP NA NA +PJ108527 CEMMHHW C41H56N12O10S3 972.3405 NA PeJP NA NA +PJ108528 SNNDEEEH C36H52N12O20 972.3421 NA PeJP NA NA +PJ108529 ATEEMMMM C37H64N8O14S4 972.3425 NA PeJP NA NA +PJ108530 GCNDDMRY C37H56N12O15S2 972.343 NA PeJP NA NA +PJ108531 APMMMMMM C38H68N8O9S6 972.3434 NA PeJP NA NA +PJ108532 SCNDYWW C45H52N10O13S 972.3436 NA PeJP NA NA +PJ108533 GSCCMMRW C38H60N12O10S4 972.3439 NA PeJP NA NA +PJ108534 GCDMHHHH C38H52N16O11S2 972.3443 NA PeJP NA NA +PJ108535 CCMHFFW C46H56N10O8S3 972.3445 NA PeJP NA NA +PJ108536 SSSSSSSCNQ C33H56N12O20S 972.3455 NA PeJP NA NA +PJ108537 SSSNDDYW C41H52N10O18 972.3461 NA PeJP NA NA +PJ108538 PPNDDDDW C41H52N10O18 972.3462 NA PeJP NA NA +PJ108539 GSSSCDMMR C34H60N12O15S3 972.3464 NA PeJP NA NA +PJ108540 GSCNNNNNH C34H52N16O16S 972.3468 NA PeJP NA NA +PJ108541 GGGGGGGSCNNH C34H52N16O16S 972.3469 NA PeJP NA NA +PJ108542 SSSSCMWW C42H56N10O13S2 972.347 NA PeJP NA NA +PJ108543 GCNMMMMR C35H64N12O10S5 972.3472 NA PeJP NA NA +PJ108544 SCCCQHHR C35H56N16O11S3 972.3477 NA PeJP NA NA +PJ108545 SSSSSSDMW C38H56N10O18S 972.3495 NA PeJP NA NA +PJ108546 PDDDYYW C46H52N8O16 972.3502 NA PeJP NA NA +PJ108547 SSSNMMMW C39H60N10O13S3 972.3504 NA PeJP NA NA +PJ108548 GCNNNEHW C39H52N14O14S 972.3509 NA PeJP NA NA +PJ108549 CCQFFYY C47H56N8O11S2 972.351 NA PeJP NA NA +PJ108550 GCCCKHHW C40H56N14O9S3 972.3517 NA PeJP NA NA +PJ108551 SSSSSSSSEE C34H56N10O23 972.352 NA PeJP NA NA +PJ108552 SSSSSQEMM C35H60N10O18S2 972.3529 NA PeJP NA NA +PJ108553 SNDDDDHR C35H52N14O19 972.3534 NA PeJP NA NA +PJ108554 SEEEMYW C43H56N8O16S 972.3535 NA PeJP NA NA +PJ108555 SSQQMMMM C36H64N10O13S4 972.3537 NA PeJP NA NA +PJ108556 AASSNMMMM C36H64N10O13S4 972.3538 NA PeJP NA NA +PJ108557 SCCNNNRY C36H56N14O14S2 972.3542 NA PeJP NA NA +PJ108558 GGGGGGGSPCMH C36H56N14O14S2 972.3543 NA PeJP NA NA +PJ108559 PDMMMYW C44H60N8O11S3 972.3544 NA PeJP NA NA +PJ108560 CDEHHFW C44H52N12O12S 972.3549 NA PeJP NA NA +PJ108561 SSTEEEEY C39H56N8O21 972.356 NA PeJP NA NA +PJ108562 PPDEEEEE C39H56N8O21 972.3561 NA PeJP NA NA +PJ108563 AAEEEMMY C40H60N8O16S2 972.3569 NA PeJP NA NA +PJ108564 GSNDEEHW C40H52N12O17 972.3574 NA PeJP NA NA +PJ108565 PPTCMMMY C41H64N8O11S4 972.3578 NA PeJP NA NA +PJ108566 CCNERYW C41H56N12O12S2 972.3582 NA PeJP NA NA +PJ108567 GGCCERYW C41H56N12O12S2 972.3583 NA PeJP NA NA +PJ108568 ACCCMMRR C34H64N14O9S5 972.3585 NA PeJP NA NA +PJ108569 TTTEEMMM C37H64N8O16S3 972.3603 NA PeJP NA NA +PJ108570 SSCNDERY C37H56N12O17S 972.3607 NA PeJP NA NA +PJ108571 GGSSCDERY C37H56N12O17S 972.3608 NA PeJP NA NA +PJ108572 PTTMMMMM C38H68N8O11S5 972.3611 NA PeJP NA NA +PJ108573 GLEMMMMM C38H68N8O11S5 972.3612 NA PeJP NA NA +PJ108574 NNDDFYW C45H52N10O15 972.3614 NA PeJP NA NA +PJ108575 SSTCCMRW C38H60N12O12S3 972.3616 NA PeJP NA NA +PJ108576 SSCEHHHH C38H52N16O13S 972.3621 NA PeJP NA NA +PJ108577 GCQMYWW C46H56N10O10S2 972.3623 NA PeJP NA NA +PJ108578 GSSSSSSSSSN C33H56N12O22 972.3632 NA PeJP NA NA +PJ108579 SSSSSCEMR C34H60N12O17S2 972.3641 NA PeJP NA NA +PJ108580 GSSNEMYW C42H56N10O15S 972.3648 NA PeJP NA NA +PJ108581 SSCQMMMR C35H64N12O12S4 972.365 NA PeJP NA NA +PJ108582 GSSSCCHHR C35H56N16O13S2 972.3655 NA PeJP NA NA +PJ108583 APCCCKYW C43H60N10O10S3 972.3656 NA PeJP NA NA +PJ108584 GGGCCLMFW C43H60N10O10S3 972.3657 NA PeJP NA NA +PJ108585 CNNNHWW C43H52N14O11S 972.3661 NA PeJP NA NA +PJ108586 GSSSSQEEY C38H56N10O20 972.3673 NA PeJP NA NA +PJ108587 GSSSSTMMW C39H60N10O15S2 972.3681 NA PeJP NA NA +PJ108588 GGGGATEMMY C39H60N10O15S2 972.3682 NA PeJP NA NA +PJ108589 SSNNNDHW C39H52N14O16 972.3686 NA PeJP NA NA +PJ108590 PDDMFYW C47H56N8O13S 972.3688 NA PeJP NA NA +PJ108591 GSCKMMMW C40H64N10O10S4 972.369 NA PeJP NA NA +PJ108592 GPCCDHRW C40H56N14O11S2 972.3695 NA PeJP NA NA +PJ108593 GSSSSSTTEM C35H60N10O20S 972.3706 NA PeJP NA NA +PJ108594 GSPEEEYY C43H56N8O18 972.3713 NA PeJP NA NA +PJ108595 GSSSDKMMM C36H64N10O15S3 972.3715 NA PeJP NA NA +PJ108596 GNDDEMHR C36H56N14O16S 972.372 NA PeJP NA NA +PJ108597 VDEMMYW C44H60N8O13S2 972.3722 NA PeJP NA NA +PJ108598 GNKMMMMM C37H68N10O10S5 972.3724 NA PeJP NA NA +PJ108599 SNDEHWW C44H52N12O14 972.3726 NA PeJP NA NA +PJ108600 GCCCEFRR C37H60N14O11S3 972.3729 NA PeJP NA NA +PJ108601 PMMMMFW C45H64N8O8S4 972.373 NA PeJP NA NA +PJ108602 GCCRYWW C45H56N12O9S2 972.3735 NA PeJP NA NA +PJ108603 ATTEEEMY C40H60N8O18S 972.3747 NA PeJP NA NA +PJ108604 APTEMMMY C41H64N8O13S3 972.3755 NA PeJP NA NA +PJ108605 GSSCDRYW C41H56N12O14S 972.376 NA PeJP NA NA +PJ108606 SSCCMMRR C34H64N14O11S4 972.3762 NA PeJP NA NA +PJ108607 LMMMMMW C42H68N8O8S5 972.3764 NA PeJP NA NA +PJ108608 CCQMFRW C42H60N12O9S3 972.3769 NA PeJP NA NA +PJ108609 GSSSSDDRY C37H56N12O19 972.3785 NA PeJP NA NA +PJ108610 STLEMMMM C38H68N8O13S4 972.3789 NA PeJP NA NA +PJ108611 GSNDMMRY C38H60N12O14S2 972.3794 NA PeJP NA NA +PJ108612 GNNEEHHH C38H52N16O15 972.3799 NA PeJP NA NA +PJ108613 SSNMYWW C46H56N10O12S 972.38 NA PeJP NA NA +PJ108614 GVMMMMHH C39H64N12O9S4 972.3803 NA PeJP NA NA +PJ108615 GCCNHHFR C39H56N16O10S2 972.3807 NA PeJP NA NA +PJ108616 SSSSSSSCNK C34H60N12O19S 972.3819 NA PeJP NA NA +PJ108617 SSSSQEYW C42H56N10O17 972.3825 NA PeJP NA NA +PJ108618 GGGPPPDDDF C42H56N10O17 972.3826 NA PeJP NA NA +PJ108619 GSSSSMMMR C35H64N12O14S3 972.3827 NA PeJP NA NA +PJ108620 GGSSTCCCKK C35H64N12O14S3 972.3828 NA PeJP NA NA +PJ108621 GCDDDHRR C35H56N16O15S 972.3832 NA PeJP NA NA +PJ108622 SQQMMYW C43H60N10O12S2 972.3834 NA PeJP NA NA +PJ108623 ACCKMMMR C36H68N12O9S5 972.3836 NA PeJP NA NA +PJ108624 SCCCKHHR C36H60N16O10S3 972.3841 NA PeJP NA NA +PJ108625 SSSSSTTMW C39H60N10O17S 972.3859 NA PeJP NA NA +PJ108626 SPEEYYW C47H56N8O15 972.3865 NA PeJP NA NA +PJ108627 AEEEFYW C47H56N8O15 972.3866 NA PeJP NA NA +PJ108628 SSTCKMMW C40H64N10O12S3 972.3868 NA PeJP NA NA +PJ108629 NDDMHRW C40H56N14O13S 972.3872 NA PeJP NA NA +PJ108630 GGDDMHRW C40H56N14O13S 972.3873 NA PeJP NA NA +PJ108631 PDMMFFW C48H60N8O10S2 972.3874 NA PeJP NA NA +PJ108632 GSDHWWW C48H52N12O11 972.3879 NA PeJP NA NA +PJ108633 CCCFRRW C41H60N14O8S3 972.3881 NA PeJP NA NA +PJ108634 SSSSSSTTTE C35H60N10O22 972.3884 NA PeJP NA NA +PJ108635 SSTTTTNMM C36H64N10O17S2 972.3892 NA PeJP NA NA +PJ108636 SSSSSKEMM C36H64N10O17S2 972.3893 NA PeJP NA NA +PJ108637 SSNDEEHR C36H56N14O18 972.3897 NA PeJP NA NA +PJ108638 GGSSDEEHR C36H56N14O18 972.3898 NA PeJP NA NA +PJ108639 AAPEEMYY C44H60N8O15S 972.3899 NA PeJP NA NA +PJ108640 SSQKMMMM C37H68N10O12S4 972.3901 NA PeJP NA NA +PJ108641 GSCCERRY C37H60N14O13S2 972.3906 NA PeJP NA NA +PJ108642 VEMMMFW C45H64N8O10S3 972.3908 NA PeJP NA NA +PJ108643 SNNNNHHH C37H52N18O14 972.3911 NA PeJP NA NA +PJ108644 GQEMHWW C45H56N12O11S 972.3913 NA PeJP NA NA +MJ098945 Dotriacolide C40H76O18S4 972.391448 NA MeJP NA NA +MJ098946 Izumenolide; 38,39-Dihydro, 39-sulfooxy C40H76O18S4 972.391448 NA MeJP NA NA +PJ108645 MMMMHHR C38H64N14O8S4 972.3915 NA PeJP NA NA +PJ108646 TTTTEEEY C40H60N8O20 972.3924 NA PeJP NA NA +PJ108647 GTLEEMMY C41H64N8O15S2 972.3933 NA PeJP NA NA +PJ108648 GSNNQQYY C41H56N12O16 972.3937 NA PeJP NA NA +PJ108649 GSTQEEHW C41H56N12O16 972.3938 NA PeJP NA NA +PJ108650 GPLMMMMY C42H68N8O10S4 972.3942 NA PeJP NA NA +PJ108651 SCQMRYW C42H60N12O11S2 972.3946 NA PeJP NA NA +PJ108652 GGGAPPCMHF C42H60N12O11S2 972.3947 NA PeJP NA NA +PJ108653 NNEHHHW C42H52N16O12 972.3951 NA PeJP NA NA +PJ108654 GCQFFWW C50H56N10O9S 972.3953 NA PeJP NA NA +PJ108655 SSSNEMRY C38H60N12O16S 972.3971 NA PeJP NA NA +PJ108656 GGGGSLEEMH C38H60N12O16S 972.3972 NA PeJP NA NA +PJ108657 SVLMMMMM C39H72N8O10S5 972.3975 NA PeJP NA NA +PJ108658 GSSSTYWW C46H56N10O14 972.3978 NA PeJP NA NA +PJ108659 NQMMMRY C39H64N12O11S3 972.398 NA PeJP NA NA +PJ108660 GSCNNHRW C39H56N16O12S 972.3985 NA PeJP NA NA +PJ108661 NMMHFFF C47H60N10O9S2 972.3986 NA PeJP NA NA +PJ108662 GCKMYWW C47H60N10O9S2 972.3987 NA PeJP NA NA +MJ098947 Landomycin A; 3E-Deglycosyl C49H64O20 972.399094 NA MeJP NA NA +C15692 Anabaenopeptilide 90B C45H61ClN8O14 972.3996 NA KEGG NA NA +PJ108663 SSSSSTMMR C35H64N12O16S2 972.4005 NA PeJP NA NA +PJ108664 GSSSNNDHR C35H56N16O17 972.401 NA PeJP NA NA +PJ108665 GSTTQMYW C43H60N10O14S 972.4011 NA PeJP NA NA +PJ108666 GSSDKMYW C43H60N10O14S 972.4012 NA PeJP NA NA +PJ108667 SSCKMMMR C36H68N12O11S4 972.4014 NA PeJP NA NA +PJ108668 PDDFFFW C51H56N8O12 972.4018 NA PeJP NA NA +PJ108669 SPCCDHRR C36H60N16O12S2 972.4019 NA PeJP NA NA +PJ108670 CQKMMFW C44H64N10O9S3 972.402 NA PeJP NA NA +PJ108671 GCEHRWW C44H56N14O10S 972.4025 NA PeJP NA NA +PJ108672 GSSSSKEEY C39H60N10O19 972.4036 NA PeJP NA NA +PJ108673 ASSSSDKEY C39H60N10O19 972.4037 NA PeJP NA NA +PJ108674 GSQKEMMY C40H64N10O14S2 972.4045 NA PeJP NA NA +PJ108675 GSSDEHRW C40H56N14O15 972.405 NA PeJP NA NA +PJ108676 PVDMYYW C48H60N8O12S 972.4052 NA PeJP NA NA +PJ108677 PPVMMMMH C41H68N10O9S4 972.4054 NA PeJP NA NA +PJ108678 SCCRRYW C41H60N14O10S2 972.4059 NA PeJP NA NA +PJ108679 GPDHHHHH C41H52N18O11 972.4064 NA PeJP NA NA +PJ108680 QMHWWW C49H56N12O8S 972.4065 NA PeJP NA NA +PJ108681 SSSSSSSTLM C36H64N10O19S 972.407 NA PeJP NA NA +PJ108682 LQEEEYY C44H60N8O17 972.4077 NA PeJP NA NA +PJ108683 GSSTTKMMM C37H68N10O14S3 972.4079 NA PeJP NA NA +PJ108684 SSSCDRRY C37H60N14O15S 972.4084 NA PeJP NA NA +PJ108685 TLEMMYW C45H64N8O12S2 972.4085 NA PeJP NA NA +PJ108686 GPVEMMFY C45H64N8O12S2 972.4086 NA PeJP NA NA +PJ108687 ACKKMMMM C38H72N10O9S5 972.4088 NA PeJP NA NA +PJ108688 STQEHWW C45H56N12O13 972.409 NA PeJP NA NA +PJ108689 GGGGGGGGGFFF C45H56N12O13 972.4091 NA PeJP NA NA +PJ108690 CNMMRRY C38H64N14O10S3 972.4092 NA PeJP NA NA +PJ108691 GGGPMMMHR C38H64N14O10S3 972.4093 NA PeJP NA NA +PJ108692 CLMHHFW C46H60N12O8S2 972.4099 NA PeJP NA NA +PJ108693 GNHHHWW C46H52N16O9 972.4104 NA PeJP NA NA +PJ108694 STTLEEMY C41H64N8O17S 972.411 NA PeJP NA NA +PJ108695 PPLEEEEM C41H64N8O17S 972.4111 NA PeJP NA NA +PJ108696 GVLEMMMY C42H68N8O12S3 972.4119 NA PeJP NA NA +PJ108697 NNNNNNNR C34H56N18O16 972.4122 NA PeJP NA NA +PJ108698 GGGGGGGGGGGGNR C34H56N18O16 972.4123 NA PeJP NA NA +PJ108699 GSSSMRYW C42H60N12O13S 972.4124 NA PeJP NA NA +PJ108700 SPPDWWW C50H56N10O11 972.413 NA PeJP NA NA +PJ108701 GCCNQHRR C35H60N18O11S2 972.4131 NA PeJP NA NA +PJ108702 CCKMFRW C43H64N12O8S3 972.4133 NA PeJP NA NA +PJ108703 QMHHHHF C43H56N16O9S 972.4137 NA PeJP NA NA +PJ108704 GSSSSTERY C38H60N12O18 972.4149 NA PeJP NA NA +PJ108705 ASSQMMRY C39H64N12O13S2 972.4157 NA PeJP NA NA +PJ108706 GSTQMMRY C39H64N12O13S2 972.4158 NA PeJP NA NA +PJ108707 GNNNDHFR C39H56N16O14 972.4162 NA PeJP NA NA +PJ108708 GGGGGNDHFR C39H56N16O14 972.4163 NA PeJP NA NA +PJ108709 STCKYWW C47H60N10O11S 972.4164 NA PeJP NA NA +PJ108710 CHRWWW C48H56N14O7S 972.4178 NA PeJP NA NA +PJ108711 SSSSKEYW C43H60N10O16 972.4189 NA PeJP NA NA +PJ108712 SSSCCCKKK C36H68N12O13S3 972.4191 NA PeJP NA NA +PJ108713 GSDDMHRR C36H60N16O14S 972.4196 NA PeJP NA NA +PJ108714 SQKMMYW C44H64N10O11S2 972.4198 NA PeJP NA NA +PJ108715 SSDHRWW C44H56N14O12 972.4202 NA PeJP NA NA +PJ108716 GGNQQHFW C44H56N14O12 972.4203 NA PeJP NA NA +PJ108717 APCCMHRR C37H64N16O9S3 972.4205 NA PeJP NA NA +PJ108718 SSTQKEMY C40H64N10O16S 972.4223 NA PeJP NA NA +PJ108719 ALEEYYW C48H60N8O14 972.4229 NA PeJP NA NA +PJ108720 LEMMMRY C41H68N10O11S3 972.4232 NA PeJP NA NA +PJ108721 SQEMHRW C41H60N14O12S 972.4236 NA PeJP NA NA +PJ108722 GGGGGGPCKHF C41H60N14O12S 972.4237 NA PeJP NA NA +PJ108723 PVMMFYW C49H64N8O9S2 972.4238 NA PeJP NA NA +PJ108724 GTTHWWW C49H56N12O10 972.4243 NA PeJP NA NA +PJ108725 SSSSTTTTTT C36H64N10O21 972.4248 NA PeJP NA NA +PJ108726 CHHHHFR C42H56N18O8S 972.425 NA PeJP NA NA +PJ108727 SSSTTTKMM C37H68N10O16S2 972.4256 NA PeJP NA NA +PJ108728 GPDDEERR C37H60N14O17 972.4261 NA PeJP NA NA +PJ108729 GGGGGGPTEER C37H60N14O17 972.4262 NA PeJP NA NA +PJ108730 GPTLEMYY C45H64N8O14S 972.4263 NA PeJP NA NA +PJ108731 SSKKMMMM C38H72N10O11S4 972.4265 NA PeJP NA NA +PJ108732 GSTCMRRY C38H64N14O12S2 972.427 NA PeJP NA NA +PJ108733 VLMMMYW C46H68N8O9S3 972.4272 NA PeJP NA NA +PJ108734 GSNEHHHR C38H56N18O13 972.4275 NA PeJP NA NA +PJ108735 ADKMHWW C46H60N12O10S 972.4276 NA PeJP NA NA +PJ108736 PPCERWW C46H60N12O10S 972.4277 NA PeJP NA NA +PJ108737 PVLEEEEE C41H64N8O19 972.4288 NA PeJP NA NA +PJ108738 SSLLEMMY C42H68N8O14S2 972.4297 NA PeJP NA NA +PJ108739 SSSSTRYW C42H60N12O15 972.4301 NA PeJP NA NA +PJ108740 PQEEERW C42H60N12O15 972.4302 NA PeJP NA NA +PJ108741 GLLMMMMF C43H72N8O9S4 972.4306 NA PeJP NA NA +PJ108742 SSCNNHRR C35H60N18O13S 972.4308 NA PeJP NA NA +PJ108743 GGGGSSCHRR C35H60N18O13S 972.4309 NA PeJP NA NA +PJ108744 SCKMRYW C43H64N12O10S2 972.431 NA PeJP NA NA +PJ108745 NDKHHHW C43H56N16O11 972.4315 NA PeJP NA NA +PJ108746 APPMWWW C51H60N10O8S 972.4317 NA PeJP NA NA +PJ108747 SSSDKMRY C39H64N12O15S 972.4335 NA PeJP NA NA +PJ108748 GGGGGGAAPLEM C39H64N12O15S 972.4336 NA PeJP NA NA +PJ108749 PVQEEWW C47H60N10O13 972.4342 NA PeJP NA NA +PJ108750 NKMMMRY C40H68N12O10S3 972.4344 NA PeJP NA NA +PJ108751 SCEHRRW C40H60N16O11S 972.4349 NA PeJP NA NA +PJ108752 PPNHHWW C48H56N14O9 972.4355 NA PeJP NA NA +PJ108753 NNNNNQQK C36H60N16O16 972.4373 NA PeJP NA NA +PJ108754 SSSDEHRR C36H60N16O16 972.4374 NA PeJP NA NA +PJ108755 GSTTKMYW C44H64N10O13S 972.4375 NA PeJP NA NA +PJ108756 GPPKEEMW C44H64N10O13S 972.4376 NA PeJP NA NA +PJ108757 PPTFYYW C52H60N8O11 972.4382 NA PeJP NA NA +PJ108758 GGGAPPCCRR C37H64N16O11S2 972.4383 NA PeJP NA NA +PJ108759 CKKMMFW C45H68N10O8S3 972.4384 NA PeJP NA NA +PJ108760 GTMHRWW C45H60N14O9S 972.4389 NA PeJP NA NA +PJ108761 GSSTTTKEY C40H64N10O18 972.44 NA PeJP NA NA +PJ108762 PVNKEEEE C40H64N10O18 972.4401 NA PeJP NA NA +PJ108763 GSKKEMMY C41H68N10O13S2 972.4409 NA PeJP NA NA +PJ108764 PDDERRW C41H60N14O14 972.4414 NA PeJP NA NA +PJ108765 PTLMYYW C49H64N8O11S 972.4416 NA PeJP NA NA +PJ108766 VNMMHRW C42H64N14O9S2 972.4422 NA PeJP NA NA +PJ108767 GGVMMHRW C42H64N14O9S2 972.4423 NA PeJP NA NA +PJ108768 SNHHHRW C42H56N18O10 972.4427 NA PeJP NA NA +PJ108769 KMHWWW C50H60N12O7S 972.4429 NA PeJP NA NA +PJ108770 LKEEEYY C45H64N8O16 972.4441 NA PeJP NA NA +PJ108771 SSSSMRRY C38H64N14O14S 972.4447 NA PeJP NA NA +PJ108772 SPPDDMRR C38H64N14O14S 972.4448 NA PeJP NA NA +MJ098948 3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Benzyl glycoside, hexabenzyl C61H64O11 972.444862 NA MeJP NA NA +PJ108773 GPVLMMYY C46H68N8O11S2 972.4449 NA PeJP NA NA +MJ098949 Periplanetin CC1 C46H60N12O12 972.445365 NA MeJP NA NA +PJ108774 APEERWW C46H60N12O12 972.4454 NA PeJP NA NA +PJ108775 APCKMMHR C39H68N14O9S3 972.4456 NA PeJP NA NA +PJ108776 QQMHHHR C39H60N18O10S 972.4461 NA PeJP NA NA +PJ108777 ATLLMMMY C43H72N8O11S3 972.4483 NA PeJP NA NA +PJ108778 GNNNNERR C35H60N18O15 972.4486 NA PeJP NA NA +PJ108779 GPPTEMRW C43H64N12O12S 972.4488 NA PeJP NA NA +PJ108780 GPLEWWW C51H60N10O10 972.4494 NA PeJP NA NA +PJ108781 CDMHRRR C36H64N18O10S2 972.4495 NA PeJP NA NA +PJ108782 KMHHHHF C44H60N16O8S 972.4501 NA PeJP NA NA +PJ108783 SSSSSSLRY C39H64N12O17 972.4513 NA PeJP NA NA +PJ108784 GSTKMMRY C40H68N12O12S2 972.4521 NA PeJP NA NA +PJ108785 GGSCCKKKY C40H68N12O12S2 972.4522 NA PeJP NA NA +PJ108786 NNQQQRW C40H60N16O13 972.4526 NA PeJP NA NA +PJ108787 GGGGGGGGGVRW C40H60N16O13 972.4527 NA PeJP NA NA +PJ108788 PPKEMWW C48H64N10O10S 972.4528 NA PeJP NA NA +PJ108789 GMMHRRW C41H64N16O8S2 972.4535 NA PeJP NA NA +PJ108790 SSTTTKYW C44H64N10O15 972.4553 NA PeJP NA NA +PJ108791 GSTEMHRR C37H64N16O13S 972.456 NA PeJP NA NA +PJ108792 SKKMMYW C45H68N10O10S2 972.4562 NA PeJP NA NA +PJ108793 STTHRWW C45H60N14O11 972.4566 NA PeJP NA NA +MJ098950 2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, [?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-arabinoside] C47H72O21 972.456609 NA MeJP NA NA +MJ098951 Glaucogenin A; 11?-Hydroxy, 3-O-[?-D-glucopyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] C47H72O21 972.456609 NA MeJP NA NA +MJ098952 Hederagenin bisdesmosides; Triglycosides, 3-O-[(2-Carboxy-1-carboxymethoxy-2-hydroxyethyl)-(?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C47H72O21 972.456609 NA MeJP NA NA +PJ108794 GGGGPTRWW C45H60N14O11 972.4567 NA PeJP NA NA +PJ108795 PVMFFFW C53H64N8O8S 972.4568 NA PeJP NA NA +PJ108796 CQHHHRR C38H60N20O9S 972.4573 NA PeJP NA NA +PJ108797 SSTKKEMY C41H68N10O15S 972.4587 NA PeJP NA NA +PJ108798 SLLEYYW C49H64N8O13 972.4593 NA PeJP NA NA +PJ108799 AAKKMMMY C42H72N10O10S3 972.4595 NA PeJP NA NA +PJ108800 GPPPCLKMM C42H72N10O10S3 972.4596 NA PeJP NA NA +PJ108801 SKEMHRW C42H64N14O11S 972.46 NA PeJP NA NA +PJ108802 VLMMFFW C50H68N8O8S2 972.4602 NA PeJP NA NA +PJ108803 GPNKWWW C50H60N12O9 972.4607 NA PeJP NA NA +PJ108804 GPTEEERR C38H64N14O16 972.4625 NA PeJP NA NA +PJ108805 GGGGGGGGGALKE C38H64N14O16 972.4626 NA PeJP NA NA +PJ108806 AALLEMYY C46H68N8O13S 972.4627 NA PeJP NA NA +PJ108807 GPPEMMRR C39H68N14O11S2 972.4634 NA PeJP NA NA +PJ108808 NNNNRRW C39H60N18O12 972.4638 NA PeJP NA NA +PJ108809 GGNNNRRW C39H60N18O12 972.4639 NA PeJP NA NA +PJ108810 PPTMRWW C47H64N12O9S 972.464 NA PeJP NA NA +PJ108811 PLWWWW C55H60N10O7 972.4647 NA PeJP NA NA +PJ108812 TTTLLMMY C43H72N8O13S2 972.4661 NA PeJP NA NA +PJ108813 PKEEERW C43H64N12O14 972.4665 NA PeJP NA NA +PJ108814 GGGPDKKEW C43H64N12O14 972.4666 NA PeJP NA NA +PJ108815 GPCNDRRR C36H64N18O12S 972.4672 NA PeJP NA NA +PJ108816 GPPVMMRW C44H68N12O9S2 972.4674 NA PeJP NA NA +PJ108817 GDHFRRW C44H60N16O10 972.4679 NA PeJP NA NA +PJ108818 SSTTKMRY C40H68N12O14S 972.4699 NA PeJP NA NA +PJ108819 ADKKYYW C48H64N10O12 972.4705 NA PeJP NA NA +PJ108820 PVKEEWW C48H64N10O12 972.4706 NA PeJP NA NA +PJ108821 APKKMMMH C41H72N12O9S3 972.4708 NA PeJP NA NA +PJ108822 STMHRRW C41H64N16O10S 972.4712 NA PeJP NA NA +PJ108823 GGPNMRRW C41H64N16O10S 972.4713 NA PeJP NA NA +PJ108824 AAHFRWW C49H60N14O8 972.4719 NA PeJP NA NA +PJ108825 SSTTEHRR C37H64N16O15 972.4737 NA PeJP NA NA +PJ108826 GAQQEERR C37H64N16O15 972.4738 NA PeJP NA NA +PJ108827 SPPVKEMW C45H68N10O12S 972.4739 NA PeJP NA NA +PJ108828 PVVFYYW C53H64N8O10 972.4746 NA PeJP NA NA +PJ108829 GSSHHHRR C38H60N20O11 972.4751 NA PeJP NA NA +PJ108830 PCKHFRW C46H64N14O8S 972.4753 NA PeJP NA NA +PJ108831 SSSSTTLKY C41H68N10O17 972.4764 NA PeJP NA NA +PJ108832 GGGGLLLEEE C41H68N10O17 972.4765 NA PeJP NA NA +PJ108833 ATTKKMMY C42H72N10O12S2 972.4773 NA PeJP NA NA +PJ108834 PTEERRW C42H64N14O13 972.4778 NA PeJP NA NA +PJ108835 VVLMYYW C50H68N8O10S 972.4779 NA PeJP NA NA +PJ108836 GPVLMFFY C50H68N8O10S 972.478 NA PeJP NA NA +PJ108837 PPMMRRW C43H68N14O8S2 972.4786 NA PeJP NA NA +PJ108838 GVLHHHHH C43H60N18O9 972.4791 NA PeJP NA NA +PJ108839 ATTLLEYY C46H68N8O15 972.4804 NA PeJP NA NA +PJ108840 PPLLEEEF C46H68N8O15 972.4805 NA PeJP NA NA +PJ108841 SPPTEMRR C39H68N14O13S 972.4811 NA PeJP NA NA +PJ108842 GPVEEMRR C39H68N14O13S 972.4812 NA PeJP NA NA +PJ108843 GVLLMMFY C47H72N8O10S2 972.4813 NA PeJP NA NA +PJ108844 SPLERWW C47H64N12O11 972.4818 NA PeJP NA NA +PJ108845 APPCHHRR C40H64N18O9S 972.4825 NA PeJP NA NA +PJ108846 PLLLEEEM C43H72N8O15S 972.4838 NA PeJP NA NA +PJ108847 NNEERRR C36H64N18O14 972.485 NA PeJP NA NA +PJ108848 AAPLEMRW C44H68N12O11S 972.4852 NA PeJP NA NA +PJ108849 SPVLWWW C52H64N10O9 972.4858 NA PeJP NA NA +PJ108850 SMMHRRR C37H68N18O9S2 972.4859 NA PeJP NA NA +PJ108851 SPTTTTTKH C40H68N12O16 972.4876 NA PeJP NA NA +PJ108852 SPVKEEER C40H68N12O16 972.4877 NA PeJP NA NA +PJ108853 PPVDKMMR C41H72N12O11S2 972.4885 NA PeJP NA NA +PJ108854 GGGAPPKKMM C41H72N12O11S2 972.4886 NA PeJP NA NA +PJ108855 AQQERRW C41H64N16O12 972.489 NA PeJP NA NA +PJ108856 PLLQMWW C49H68N10O9S 972.4892 NA PeJP NA NA +PJ108857 LHHHHHR C42H60N20O8 972.4904 NA PeJP NA NA +PJ108858 APTLKEEW C45H68N10O14 972.4917 NA PeJP NA NA +PJ108859 PEEMRRR C38H68N16O12S 972.4924 NA PeJP NA NA +PJ108860 APPLKMMW C46H72N10O9S2 972.4926 NA PeJP NA NA +MJ098953 1,4-Epoxy-11-hydroxy-3,4-seco-20(29)-lupene-3,28-dioic acid, 28-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1r6)-?-D-glucopyranosyl] ester C48H76O20 972.492994 NA MeJP NA NA +MJ098954 11,13(18)-Oleanadiene-3,16,23,28,30-pentol, 30-Carboxylic acid, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-fucopyranoside] C48H76O20 972.492994 NA MeJP NA NA +MJ098955 12-Oleanene-3,21,22,29-tetrol, 29-Carboxylic acid, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H76O20 972.492994 NA MeJP NA NA +MJ098956 12-Oleanene-3,22,24,30-tetrol, 22-Ketone, 3-O-[?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside], 30-O-?-D-glucopyranoside C48H76O20 972.492994 NA MeJP NA NA +MJ098957 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?4)-6-O-methyl-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O20 972.492994 NA MeJP NA NA +MJ098958 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O20 972.492994 NA MeJP NA NA +MJ098959 2,3-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], ?-D-glucopyranosyl ester C48H76O20 972.492994 NA MeJP NA NA +MJ098960 3,11,23-Trihydroxy-20(29)-lupen-28-oic acid, 23-Carboxylic acid, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O20 972.492994 NA MeJP NA NA +MJ098961 3,16,21,30-Tetrahydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside], 16-O-?-D-glucopyranoside C48H76O20 972.492994 NA MeJP NA NA +MJ098962 3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?6)]-?-D-glucopyranosyl] ester C48H76O20 972.492994 NA MeJP NA NA +MJ098963 3,21-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O20 972.492994 NA MeJP NA NA +MJ098964 3,22,24-Trihydroxy-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H76O20 972.492994 NA MeJP NA NA +MJ098965 3,22,24-Trihydroxy-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H76O20 972.492994 NA MeJP NA NA +MJ098966 3,22,24-Trihydroxy-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-glucuronopyranoside] C48H76O20 972.492994 NA MeJP NA NA +MJ098967 3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside], 28-O-?-D-glucopyranosyl ester, 30-Me ester C48H76O20 972.492994 NA MeJP NA NA +MJ098968 3,24-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O20 972.492994 NA MeJP NA NA +MJ098969 3,29-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranoside-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O20 972.492994 NA MeJP NA NA +MJ098970 3-Hydroxy-12-oleanene-23,28-dioic acid, 28-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O20 972.492994 NA MeJP NA NA +MJ098971 3-Hydroxy-12-oleanene-23,28-dioic acid, 28-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranosyl] ester C48H76O20 972.492994 NA MeJP NA NA +MJ098972 3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O20 972.492994 NA MeJP NA NA +MJ098973 3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O20 972.492994 NA MeJP NA NA +MJ098974 3-Hydroxy-3,4-seco-4(24),12-oleanadiene-23,28-dioic acid; 28-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranosyl] ester C48H76O20 972.492994 NA MeJP NA NA +MJ098975 Hederagenin bisdesmosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O20 972.492994 NA MeJP NA NA +MJ098976 Hirundigenin; 2?-Hydroxy, 3-O-[?-D-glucopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-sarmentopyranosyl-(1?4)-?-D-cymaropyranoside] C48H76O20 972.492994 NA MeJP NA NA +MJ098977 Spirost-5-ene-3,17,26-triol, 26-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-[6-O-acetyl-?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] C48H76O20 972.492994 NA MeJP NA NA +PJ108861 SPNKRWW C46H64N14O10 972.493 NA PeJP NA NA +PJ108862 CKHHHRR C39H64N20O8S 972.4937 NA PeJP NA NA +PJ108863 TTTTKKMY C42H72N10O14S 972.495 NA PeJP NA NA +PJ108864 PVLQKEEM C42H72N10O14S 972.4951 NA PeJP NA NA +PJ108865 AAPLLYYY C50H68N8O12 972.4957 NA PeJP NA NA +PJ108866 VVLLMMMH C43H76N10O9S3 972.4959 NA PeJP NA NA +PJ108867 GSNNNRRR C35H64N20O13 972.4962 NA PeJP NA NA +PJ108868 PVEMRRW C43H68N14O10S 972.4964 NA PeJP NA NA +PJ108869 AVKHFWW C51H64N12O8 972.497 NA PeJP NA NA +PJ108870 GLKHFWW C51H64N12O8 972.4971 NA PeJP NA NA +PJ108871 AALEEERR C39H68N14O15 972.4989 NA PeJP NA NA +PJ108872 GTLLLMYY C47H72N8O12S 972.4991 NA PeJP NA NA +PJ108873 SPPVMMRR C40H72N14O10S2 972.4998 NA PeJP NA NA +PJ108874 GNERRRW C40H64N18O11 972.5002 NA PeJP NA NA +PJ108875 GGGERRRW C40H64N18O11 972.5003 NA PeJP NA NA +PJ108876 PVVMRWW C48H68N12O8S 972.5004 NA PeJP NA NA +PJ108877 VLLLEEEE C43H72N8O17 972.5016 NA PeJP NA NA +PJ108878 LLQEERW C44H68N12O13 972.5029 NA PeJP NA NA +PJ108879 GGGGGGAAPLLF C44H68N12O13 972.503 NA PeJP NA NA +PJ108880 GSPNMRRR C37H68N18O11S 972.5036 NA PeJP NA NA +PJ108881 LKKMMHW C45H72N12O8S2 972.5038 NA PeJP NA NA +PJ108882 AAQRRWW C45H64N16O9 972.5043 NA PeJP NA NA +PJ108883 APLKEEMR C41H72N12O13S 972.5063 NA PeJP NA NA +PJ108884 VLLQEWW C49H68N10O11 972.5069 NA PeJP NA NA +PJ108885 GGLLLEWW C49H68N10O11 972.507 NA PeJP NA NA +PJ108886 PCQKRRW C42H68N16O9S 972.5076 NA PeJP NA NA +PJ108887 VEEERRR C38H68N16O14 972.5101 NA PeJP NA NA +PJ108888 GGAAKEERR C38H68N16O14 972.5102 NA PeJP NA NA +PJ108889 GPLLKEMW C46H72N10O11S 972.5103 NA PeJP NA NA +PJ108890 VVLFFYW C54H68N8O9 972.511 NA PeJP NA NA +PJ108891 PDHHRRR C39H64N20O10 972.5115 NA PeJP NA NA +PJ108892 PTLKKEEE C42H72N10O16 972.5128 NA PeJP NA NA +PJ108893 PPLKKEMM C43H76N10O11S2 972.5137 NA PeJP NA NA +PJ108894 ASPTQKRW C43H68N14O12 972.5141 NA PeJP NA NA +PJ108895 VVEERRW C43H68N14O12 972.5142 NA PeJP NA NA +PJ108896 GVLLMFFF C51H72N8O9S 972.5143 NA PeJP NA NA +PJ108897 NRRRWW C44H64N18O8 972.5155 NA PeJP NA NA +PJ108898 STTLLLYY C47H72N8O14 972.5168 NA PeJP NA NA +PJ108899 APTLEMRR C40H72N14O12S 972.5175 NA PeJP NA NA +PJ108900 GGGGGGVLLMR C40H72N14O12S 972.5176 NA PeJP NA NA +PJ108901 ALLERWW C48H68N12O10 972.5182 NA PeJP NA NA +PJ108902 AMHFRRR C41H68N18O8S 972.5189 NA PeJP NA NA +PJ108903 NDKERRR C37H68N18O13 972.5214 NA PeJP NA NA +PJ108904 CLKKRYY C45H72N12O10S 972.5215 NA PeJP NA NA +PJ108905 GPTLLMRW C45H72N12O10S 972.5216 NA PeJP NA NA +PJ108906 GLLLWWW C53H68N10O8 972.5222 NA PeJP NA NA +PJ108907 SVLLQEER C41H72N12O15 972.524 NA PeJP NA NA +PJ108908 GLLKEEER C41H72N12O15 972.5241 NA PeJP NA NA +PJ108909 PPTLKMMR C42H76N12O10S2 972.5249 NA PeJP NA NA +PJ108910 AQKERRW C42H68N16O11 972.5254 NA PeJP NA NA +PJ108911 PLLKMWW C50H72N10O8S 972.5256 NA PeJP NA NA +PJ108912 GVLLKEEW C46H72N10O13 972.5281 NA PeJP NA NA +PJ108913 GPTQKMRR C39H72N16O11S 972.5288 NA PeJP NA NA +MJ098978 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-3-O-acetyl-?-D-xylopyranoside], 25-O-?-D-glucopyranoside C49H80O19 972.52938 NA MeJP NA NA +MJ098979 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-4-O-acetyl-?-D-xylopyranoside], 25-O-?-D-glucopyranoside C49H80O19 972.52938 NA MeJP NA NA +MJ098980 21,23-Epoxycycloart-25-ene-3,21,22,24,29-pentol, 21-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C49H80O19 972.52938 NA MeJP NA NA +MJ098981 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H80O19 972.52938 NA MeJP NA NA +MJ098982 3,8,12,14,15-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Thevetopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H80O19 972.52938 NA MeJP NA NA +PJ108914 GLQKRWW C47H68N14O9 972.5294 NA PeJP NA NA +PJ108915 GSPVLLKEM C43H76N10O13S 972.5314 NA PeJP NA NA +PJ108916 PVLKKEEM C43H76N10O13S 972.5315 NA PeJP NA NA +PJ108917 AALLLFYY C51H72N8O11 972.5321 NA PeJP NA NA +PJ108918 SNERRRR C36H68N20O12 972.5326 NA PeJP NA NA +PJ108919 PQKKMRW C44H72N14O9S 972.5328 NA PeJP NA NA +PJ108920 GTLLEERR C40H72N14O14 972.5353 NA PeJP NA NA +PJ108921 GPLLMMRR C41H76N14O9S2 972.5362 NA PeJP NA NA +PJ108922 GDKRRRW C41H68N18O10 972.5366 NA PeJP NA NA +PJ108923 LLKEERW C45H72N12O12 972.5393 NA PeJP NA NA +PJ108924 VQQMRRR C38H72N18O10S 972.54 NA PeJP NA NA +PJ108925 AAKRRWW C46H68N16O8 972.5407 NA PeJP NA NA +PJ108926 SPLLKEMR C42H76N12O12S 972.5427 NA PeJP NA NA +PJ108927 VLLKEWW C50H72N10O10 972.5433 NA PeJP NA NA +PJ108928 PCKKRRW C43H72N16O8S 972.544 NA PeJP NA NA +PJ108929 QKKEERR C39H72N16O13 972.5465 NA PeJP NA NA +PJ108930 SPVLLKMW C47H76N10O10S 972.5467 NA PeJP NA NA +PJ108931 GSRRRRW C40H68N20O9 972.5479 NA PeJP NA NA +PJ108932 VVLKKEEE C43H76N10O15 972.5492 NA PeJP NA NA +PJ108933 PLLLQKMM C44H80N10O10S2 972.5501 NA PeJP NA NA +PJ108934 TLLERRW C44H72N14O11 972.5505 NA PeJP NA NA +PJ108935 GGLKKERW C44H72N14O11 972.5506 NA PeJP NA NA +PJ108936 AQMRRRR C37H72N20O9S 972.5512 NA PeJP NA NA +PJ108937 PLLLLEEF C48H76N8O13 972.5532 NA PeJP NA NA +PJ108938 GVLLEMRR C41H76N14O11S 972.5539 NA PeJP NA NA +PJ108939 SLLLRWW C49H72N12O9 972.5546 NA PeJP NA NA +PJ108940 LLLLLEEM C45H80N8O13S 972.5566 NA PeJP NA NA +PJ108941 TQKERRR C38H72N18O12 972.5578 NA PeJP NA NA +PJ108942 AALLLMRW C46H76N12O9S 972.5579 NA PeJP NA NA +PJ108943 SVLLKEER C42H76N12O14 972.5604 NA PeJP NA NA +PJ108944 GAALKKKEE C42H76N12O14 972.5605 NA PeJP NA NA +PJ108945 PVVLKMMR C43H80N12O9S2 972.5613 NA PeJP NA NA +PJ108946 AKKERRW C43H72N16O10 972.5618 NA PeJP NA NA +PJ108947 ACRRRRR C36H72N22O8S 972.5625 NA PeJP NA NA +PJ108948 STLLLLQW C47H76N10O12 972.5644 NA PeJP NA NA +PJ108949 ATLLLKEW C47H76N10O12 972.5645 NA PeJP NA NA +PJ108950 SPVCKKRR C40H76N16O10S 972.5651 NA PeJP NA NA +PJ108951 LLEMRRR C40H76N16O10S 972.5652 NA PeJP NA NA +MJ098983 Antibiotic CP 91243 C50H84O18 972.565765 NA MeJP NA NA +PJ108952 GLKKRWW C48H72N14O8 972.5658 NA PeJP NA NA +PJ108953 VLLLQKEM C44H80N10O12S 972.5678 NA PeJP NA NA +PJ108954 SDKRRRR C37H72N20O11 972.569 NA PeJP NA NA +PJ108955 VLLMRRW C45H76N14O8S 972.5692 NA PeJP NA NA +PJ108956 SSLLLERR C41H76N14O13 972.5717 NA PeJP NA NA +PJ108957 ATKRRRW C42H72N18O9 972.573 NA PeJP NA NA +PJ108958 ATTLLLRW C46H76N12O11 972.5757 NA PeJP NA NA +PJ108959 VQKMRRR C39H76N18O9S 972.5764 NA PeJP NA NA +PJ108960 ALLLKEMR C43H80N12O11S 972.5791 NA PeJP NA NA +PJ108961 GPLLLKFW C51H76N10O9 972.5797 NA PeJP NA NA +PJ108962 SSRRRRR C36H72N22O10 972.5802 NA PeJP NA NA +PJ108963 KKKEERR C40H76N16O12 972.5829 NA PeJP NA NA +PJ108964 GLLLLKMW C48H80N10O9S 972.5831 NA PeJP NA NA +PJ108965 VLHHRRR C41H72N20O8 972.5842 NA PeJP NA NA +PJ108966 TLLLKKEE C44H80N10O14 972.5856 NA PeJP NA NA +PJ108967 PLLLKKMM C45H84N10O9S2 972.5865 NA PeJP NA NA +PJ108968 VKKKERW C45H76N14O10 972.5869 NA PeJP NA NA +PJ108969 AKMRRRR C38H76N20O8S 972.5876 NA PeJP NA NA +PJ108970 PLLLLLEY C49H80N8O12 972.5896 NA PeJP NA NA +PJ108971 ATLLLMRR C42H80N14O10S 972.5903 NA PeJP NA NA +PJ108972 VVKKKWW C50H76N12O8 972.5909 NA PeJP NA NA +PJ108973 TKKERRR C39H76N18O11 972.5941 NA PeJP NA NA +PJ108974 GGGSKKKRR C39H76N18O11 972.5942 NA PeJP NA NA +PJ108975 TTLLLKER C43H80N12O13 972.5968 NA PeJP NA NA +PJ108976 SLKKRRW C44H76N16O9 972.5982 NA PeJP NA NA +PJ108977 STLLLLKW C48H80N10O11 972.6008 NA PeJP NA NA +PJ108978 GGPLLLLKY C48H80N10O11 972.6009 NA PeJP NA NA +PJ108979 AALKKMRR C41H80N16O9S 972.6015 NA PeJP NA NA +PJ108980 VLLLKKEM C45H84N10O11S 972.6042 NA PeJP NA NA +PJ108981 TTKRRRR C38H76N20O10 972.6054 NA PeJP NA NA +PJ108982 TTTLLLRR C42H80N14O12 972.6081 NA PeJP NA NA +PJ108983 GTLLKKKW C47H80N12O10 972.6121 NA PeJP NA NA +PJ108984 VKKMRRR C40H80N18O8S 972.6128 NA PeJP NA NA +PJ108985 CLLLQKKK C44H84N12O10S 972.6154 NA PeJP NA NA +PJ108986 SLLLLKMR C44H84N12O10S 972.6155 NA PeJP NA NA +PJ108987 ATTLKKRR C41H80N16O11 972.6193 NA PeJP NA NA +PJ108988 SSSLLLLLK C45H84N10O13 972.622 NA PeJP NA NA +PJ108989 QKKKKKW C46H80N14O9 972.6233 NA PeJP NA NA +PJ108990 LLLLLLEF C50H84N8O11 972.626 NA PeJP NA NA +PJ108991 GLLKKKMR C43H84N14O9S 972.6267 NA PeJP NA NA +PJ108992 SLLKKKKE C44H84N12O12 972.6332 NA PeJP NA NA +PJ108993 LLLFRRR C45H80N16O8 972.6346 NA PeJP NA NA +PJ108994 PVLLLKKY C49H84N10O10 972.6372 NA PeJP NA NA +PJ108995 STLLKKKR C43H84N14O11 972.6444 NA PeJP NA NA +PJ108996 GKKKKKKE C43H84N14O11 972.6445 NA PeJP NA NA +PJ108997 ALLLLKFR C48H84N12O9 972.6485 NA PeJP NA NA +PJ108998 VVLKKKKM C45H88N12O9S 972.6518 NA PeJP NA NA +PJ108999 GTKKKKKR C42H84N16O10 972.6557 NA PeJP NA NA +PJ109000 KKKKKKW C47H84N14O8 972.6597 NA PeJP NA NA +PJ109001 LLLLLLLY C51H88N8O10 972.6624 NA PeJP NA NA +PJ109002 VLLLLKKF C50H88N10O9 972.6736 NA PeJP NA NA +PJ109003 SVKKKKKK C44H88N14O10 972.6808 NA PeJP NA NA +MJ098984 Trixol C54H100O14 972.711307 NA MeJP NA NA +HMDB10558 TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] C65H96O6 972.720703 NA HMDB2010 NA NA +HMDB05415 TG(20:0/20:0/20:1(11Z))[iso3] C63H120O6 972.908508 NA HMDB2010 NA NA +HMDB05415 TG(20:0/20:0/20:1(11Z))[iso3] C63H120O6 972.90851 http://www.hmdb.ca/metabolites/HMDB05415 HMDB NA NA +HMDB05415 TG(20:0/20:0/20:1(11Z))[iso3] C63H120O6 972.90851 HMDB05415 PFEM_hmdb_metabocards_official NA NA +PJ109004 CCCCCCCCM C29H51N9O10S9 973.1246 NA PeJP NA NA +HMDB12145 2-Carboxymethyl-3-hydroxyphenylpropionyl-CoA C32H46N7O20P3S 973.173096 NA HMDB2010 NA NA +C00411 Sinapoyl-CoA C32H46N7O20P3S 973.1731 NA KEGG NA NA +C09819 (Hydroxymethylphenyl)succinyl-CoA C32H46N7O20P3S 973.1731 NA KEGG NA NA +MJ098985 Sinapoyl-CoA C32H46N7O20P3S 973.173117 NA MeJP NA NA +MetaCyc04355 sinapoyl-CoA [] C32H46N7O20P3S1 973.173117 NA metacyc NA NA +MetaCyc04356 2-carboxymethyl-3-hydroxyphenylpropionyl-CoA [] C32H46N7O20P3S1 973.173117 NA metacyc NA NA +PJ109005 ACCCCCCCY C33H51N9O11S7 973.1753 NA PeJP NA NA +PJ109006 PCCCCCCCH C32H51N11O10S7 973.1866 NA PeJP NA NA +PJ109007 SSCCCCCCY C33H51N9O13S6 973.1931 NA PeJP NA NA +PJ109008 GCCCCCDMH C32H51N11O12S6 973.2043 NA PeJP NA NA +PJ109009 GCCCDDDDE C32H47N9O20S3 973.21 NA PeJP NA NA +PJ109010 SSCCCCCEH C32H51N11O14S5 973.2221 NA PeJP NA NA +FL7AAIGL0021 Malvidin 3-(6''-p-coumarylglucoside)-5-dimalonylglucoside C44H45O25 973.22499 144940-57-8<BR>144993-57-7 knapsack NA NA +PJ109011 CCCDDDDW C36H47N9O17S3 973.2253 NA PeJP NA NA +PJ109012 CCCCCNYY C37H51N9O12S5 973.2261 NA PeJP NA NA +PJ109013 SSCCDDDDD C32H47N9O22S2 973.2277 NA PeJP NA NA +PJ109014 SPCCCCDDE C33H51N9O17S4 973.2286 NA PeJP NA NA +PJ109015 PPCCCCCDM C34H55N9O12S6 973.2295 NA PeJP NA NA +PJ109016 GCCCCNDQE C32H51N11O16S4 973.2398 NA PeJP NA NA +PJ109017 GCCCNNDDM C32H51N11O16S4 973.2399 NA PeJP NA NA +PJ109018 GSCCCCMMH C33H55N11O11S6 973.2407 NA PeJP NA NA +FL7AAIGL0029 Malvidin 3-O-(6-O-(4-O-malonyl-alpha-rhamnopyranosyl)-beta-glucopyranoside)-5-O-(6-O-malonyl-beta-glucopyranoside) C41H49O27 973.24612 - knapsack NA NA +PJ109019 GSCCDDDEM C33H51N9O19S3 973.2464 NA PeJP NA NA +PJ109020 APCCCCDEM C34H55N9O14S5 973.2472 NA PeJP NA NA +PJ109021 GPCCCDDMM C34H55N9O14S5 973.2473 NA PeJP NA NA +PJ109022 SCCCCNNNN C31H51N13O15S4 973.2511 NA PeJP NA NA +PJ109023 CCCCNNEW C36H51N11O13S4 973.2551 NA PeJP NA NA +PJ109024 SSCCCNNDE C32H51N11O18S3 973.2576 NA PeJP NA NA +PJ109025 SSTCCCCMH C33H55N11O13S5 973.2585 NA PeJP NA NA +PJ109026 CNDDDDDY C36H47N9O21S 973.2608 NA PeJP NA NA +PJ109027 SCCDDDMW C37H51N9O16S3 973.2616 NA PeJP NA NA +PJ109028 PCCCCEMW C38H55N9O11S5 973.2625 NA PeJP NA NA +PJ109029 SSSCDDDDM C33H51N9O21S2 973.2641 NA PeJP NA NA +PJ109030 CNDDDMMM C34H55N9O16S4 973.265 NA PeJP NA NA +PJ109031 SPPCCCCMM C35H59N9O11S6 973.2659 NA PeJP NA NA +PJ109032 GPCCCCDHH C35H51N13O12S4 973.2664 NA PeJP NA NA +PJ109033 GCCCCNWW C40H51N11O10S4 973.2704 NA PeJP NA NA +PJ109034 GSSCCCNDW C36H51N11O15S3 973.2729 NA PeJP NA NA +PJ109035 CCCCQMHF C37H55N11O10S5 973.2737 NA PeJP NA NA +PJ109036 GSSSSCCNDD C32H51N11O20S2 973.2754 NA PeJP NA NA +PJ109037 CCCDDEMR C33H55N11O15S4 973.2762 NA PeJP NA NA +PJ109038 GGGGGSCCDMM C33H55N11O15S4 973.2763 NA PeJP NA NA +PJ109039 GSPCCDDDY C37H51N9O18S2 973.2794 NA PeJP NA NA +PJ109040 GCCDEMMW C38H55N9O13S4 973.2803 NA PeJP NA NA +HMDB02288 5-cis-8-cis-Tetradecadienoyl-CoA C35H58N7O17P3S 973.282288 NA HMDB2010 NA NA +HMDB02288 5-cis-8-cis-Tetradecadienoyl-CoA C35H58N7O17P3S 973.28229 http://www.hmdb.ca/metabolites/HMDB02288 HMDB NA NA +HMDB02288 5-cis-8-cis-Tetradecadienoyl-CoA C35H58N7O17P3S 973.28229 HMDB02288 PFEM_hmdb_metabocards_official NA NA +PJ109041 GSSCDDEMM C34H55N9O18S3 973.2828 NA PeJP NA NA +PJ109042 GSPCCDMMM C35H59N9O13S5 973.2836 NA PeJP NA NA +PJ109043 CCNDDMHH C35H51N13O14S3 973.2841 NA PeJP NA NA +PJ109044 CCCCCHFR C36H55N13O9S5 973.285 NA PeJP NA NA +PJ109045 GSCCCCNER C32H55N13O14S4 973.2875 NA PeJP NA NA +PJ109046 NDDDDDEH C35H47N11O22 973.2898 NA PeJP NA NA +PJ109047 CCNNNDEY C36H51N11O17S2 973.2906 NA PeJP NA NA +PJ109048 SCCCNQMW C37H55N11O12S4 973.2915 NA PeJP NA NA +PJ109049 SSSCCNNEM C33H55N11O17S3 973.294 NA PeJP NA NA +PJ109050 GCCDDEFW C41H51N9O15S2 973.2947 NA PeJP NA NA +PJ109051 CCNNQMMM C34H59N11O12S5 973.2949 NA PeJP NA NA +PJ109052 GSCCCNNHH C34H51N15O13S3 973.2953 NA PeJP NA NA +PJ109053 GGGGGSCCCHH C34H51N15O13S3 973.2954 NA PeJP NA NA +PJ109054 CCDMMWW C42H55N9O10S4 973.2955 NA PeJP NA NA +PJ109055 SNDDDDMY C37H51N9O20S 973.2971 NA PeJP NA NA +PJ109056 GGSDDDDMY C37H51N9O20S 973.2972 NA PeJP NA NA +PJ109057 SSCDDMMW C38H55N9O15S3 973.298 NA PeJP NA NA +PJ109058 PTCCCMMW C39H59N9O10S5 973.2989 NA PeJP NA NA +PJ109059 GCCCEHHW C39H51N13O11S3 973.2994 NA PeJP NA NA +PJ109060 SSSSDDDMM C34H55N9O20S2 973.3005 NA PeJP NA NA +PJ109061 SNDDMMMM C35H59N9O15S4 973.3014 NA PeJP NA NA +PJ109062 GSSCCDEHH C35H51N13O16S2 973.3019 NA PeJP NA NA +PJ109063 CCEMYYY C43H55N7O13S3 973.302 NA PeJP NA NA +PJ109064 PCCQMMMM C36H63N9O10S6 973.3023 NA PeJP NA NA +PJ109065 SCCCCNRW C36H55N13O11S4 973.3027 NA PeJP NA NA +PJ109066 GDDDDDHW C39H47N11O19 973.305 NA PeJP NA NA +PJ109067 SSSCCCNDR C32H55N13O16S3 973.3052 NA PeJP NA NA +PJ109068 GCCNNDYW C40H51N11O14S2 973.3059 NA PeJP NA NA +PJ109069 CCCNNMMR C33H59N13O11S5 973.3061 NA PeJP NA NA +PJ109070 GSSCNNDDY C36H51N11O19S 973.3084 NA PeJP NA NA +PJ109071 GSSSCCNMW C37H55N11O14S3 973.3092 NA PeJP NA NA +PJ109072 GGGSSSCCMW C37H55N11O14S3 973.3093 NA PeJP NA NA +PJ109073 CCDDFWW C45H51N9O12S2 973.3099 NA PeJP NA NA +PJ109074 CCCCKMHF C38H59N11O9S5 973.3101 NA PeJP NA NA +PJ109075 GSSSSSCNDM C33H55N11O19S2 973.3117 NA PeJP NA NA +PJ109076 GGGSSSSSCDM C33H55N11O19S2 973.3118 NA PeJP NA NA +PJ109077 GSCDDEYW C41H51N9O17S 973.3124 NA PeJP NA NA +PJ109078 SCCDEMMR C34H59N11O14S4 973.3126 NA PeJP NA NA +PJ109079 GPCCDMYW C42H55N9O12S3 973.3133 NA PeJP NA NA +PJ109080 PCCCMMMR C35H63N11O9S6 973.3135 NA PeJP NA NA +PJ109081 CCCHHWW C43H51N13O8S3 973.3146 NA PeJP NA NA +PJ109082 GSSSDDDEY C37H51N9O22 973.3149 NA PeJP NA NA +PJ109083 GNDDEMMY C38H55N9O17S2 973.3158 NA PeJP NA NA +PJ109084 GSCEMMMW C39H59N9O12S4 973.3166 NA PeJP NA NA +PJ109085 GGPCCEMMF C39H59N9O12S4 973.3167 NA PeJP NA NA +PJ109086 SSCCDHHW C39H51N13O13S2 973.3171 NA PeJP NA NA +PJ109087 CCCCCQRR C32H59N15O10S5 973.3173 NA PeJP NA NA +PJ109088 GSSSDEMMM C35H59N9O17S3 973.3191 NA PeJP NA NA +PJ109089 SSSSCDDHH C35H51N13O18S 973.3196 NA PeJP NA NA +PJ109090 GNEMMMMM C36H63N9O12S5 973.32 NA PeJP NA NA +PJ109091 CCCNNDFR C36H55N13O13S3 973.3205 NA PeJP NA NA +PJ109092 SPCDDDHW C40H51N11O16S 973.3236 NA PeJP NA NA +PJ109093 GTTCCCCQR C33H59N13O13S4 973.3238 NA PeJP NA NA +PJ109094 GSSCCCQMR C33H59N13O13S4 973.3239 NA PeJP NA NA +PJ109095 GCCNNMFW C41H55N11O11S3 973.3245 NA PeJP NA NA +PJ109096 SNDDEEEH C36H51N11O21 973.3261 NA PeJP NA NA +PJ109097 GGSDDEEEH C36H51N11O21 973.3262 NA PeJP NA NA +PJ109098 SSSSSCCQW C37H55N11O16S2 973.327 NA PeJP NA NA +PJ109099 SCDDYWW C45H51N9O14S 973.3277 NA PeJP NA NA +PJ109100 SCCCNKMW C38H59N11O11S4 973.3279 NA PeJP NA NA +PJ109101 SSSSSSSCNE C33H55N11O21S 973.3295 NA PeJP NA NA +PJ109102 SSSDDDYW C41H51N9O19 973.3302 NA PeJP NA NA +PJ109103 SSSSCNQMM C34H59N11O16S3 973.3304 NA PeJP NA NA +PJ109104 GSCNNNNDH C34H51N15O17S 973.3308 NA PeJP NA NA +PJ109105 GGGSCNNNDH C34H51N15O17S 973.3309 NA PeJP NA NA +PJ109106 NDDMMYW C42H55N9O14S2 973.331 NA PeJP NA NA +PJ109107 CCNNKMMM C35H63N11O11S5 973.3312 NA PeJP NA NA +PJ109108 GCDMMMMR C35H63N11O11S5 973.3313 NA PeJP NA NA +PJ109109 SCCCEHHR C35H55N15O12S3 973.3317 NA PeJP NA NA +PJ109110 SCMMMWW C43H59N9O9S4 973.3319 NA PeJP NA NA +PJ109111 SSNDEEMY C38H55N9O19S 973.3335 NA PeJP NA NA +PJ109112 SSSDMMMW C39H59N9O14S3 973.3344 NA PeJP NA NA +PJ109113 GCNNDEHW C39H51N13O15S 973.3349 NA PeJP NA NA +PJ109114 PCCYYYY C47H55N7O12S2 973.335 NA PeJP NA NA +PJ109115 GSSCCCCRR C32H59N15O12S4 973.3351 NA PeJP NA NA +PJ109116 NMMMMMW C40H63N9O9S5 973.3353 NA PeJP NA NA +PJ109117 GTCCMHHW C40H55N13O10S3 973.3357 NA PeJP NA NA +PJ109118 SSSSSEEMM C35H59N9O19S2 973.3369 NA PeJP NA NA +PJ109119 SDDDDDHR C35H51N13O20 973.3374 NA PeJP NA NA +PJ109120 SSQEMMMM C36H63N9O14S4 973.3378 NA PeJP NA NA +PJ109121 SCCNNDRY C36H55N13O15S2 973.3382 NA PeJP NA NA +PJ109122 GGGGSCCDRY C36H55N13O15S2 973.3383 NA PeJP NA NA +PJ109123 TCMMYYY C44H59N7O12S3 973.3384 NA PeJP NA NA +PJ109124 PCCKMMMM C37H67N9O9S6 973.3386 NA PeJP NA NA +PJ109125 GCQMMMHH C37H59N13O10S4 973.3391 NA PeJP NA NA +PJ109126 SCCNHHHH C37H51N17O11S2 973.3396 NA PeJP NA NA +PJ109127 GSDDEEHW C40H51N11O18 973.3414 NA PeJP NA NA +PJ109128 SSSSCCNMR C33H59N13O15S3 973.3416 NA PeJP NA NA +PJ109129 CCDERYW C41H55N11O13S2 973.3423 NA PeJP NA NA +PJ109130 CCCCQKMR C34H63N13O10S5 973.3425 NA PeJP NA NA +PJ109131 GSSSCNQEY C37H55N11O18S 973.3447 NA PeJP NA NA +PJ109132 GSSSSSSSCW C37H55N11O18S 973.3448 NA PeJP NA NA +PJ109133 NDDDFYW C45H51N9O16 973.3454 NA PeJP NA NA +PJ109134 GSSTCCCKW C38H59N11O13S3 973.3456 NA PeJP NA NA +PJ109135 GGGGGGGMMMY C38H59N11O13S3 973.3457 NA PeJP NA NA +PJ109136 PCNDDHHH C38H51N15O14S 973.3461 NA PeJP NA NA +PJ109137 GCEMYWW C46H55N9O11S2 973.3463 NA PeJP NA NA +PJ109138 GSSSSSSSSSD C33H55N11O23 973.3473 NA PeJP NA NA +PJ109139 GSSSSSSNMM C34H59N11O18S2 973.3481 NA PeJP NA NA +PJ109140 GSSDEMYW C42H55N9O16S 973.3488 NA PeJP NA NA +PJ109141 SSCEMMMR C35H63N11O13S4 973.349 NA PeJP NA NA +PJ109142 CNNNNQMH C35H55N15O14S2 973.3495 NA PeJP NA NA +PJ109143 NDMMMFW C43H59N9O11S3 973.3496 NA PeJP NA NA +PJ109144 GSPCMMYW C43H59N9O11S3 973.3497 NA PeJP NA NA +PJ109145 CNNDHWW C43H51N13O12S 973.3501 NA PeJP NA NA +PJ109146 GCCMMHHR C36H59N15O9S4 973.3504 NA PeJP NA NA +PJ109147 GSSSSEEEY C38H55N9O21 973.3513 NA PeJP NA NA +PJ109148 GSSSPDMMY C39H59N9O16S2 973.3521 NA PeJP NA NA +PJ109149 GSQEEMMY C39H59N9O16S2 973.3522 NA PeJP NA NA +PJ109150 SSNNDDHW C39H51N13O17 973.3526 NA PeJP NA NA +PJ109151 GDMYYYY C47H55N7O14S 973.3528 NA PeJP NA NA +PJ109152 GSTMMMMW C40H63N9O11S4 973.353 NA PeJP NA NA +PJ109153 SSSCMHHW C40H55N13O12S2 973.3535 NA PeJP NA NA +PJ109154 CCCCCKRR C33H63N15O9S5 973.3537 NA PeJP NA NA +PJ109155 EEEEEFY C43H55N7O19 973.3553 NA PeJP NA NA +PJ109156 GSSTTEMMM C36H63N9O16S3 973.3555 NA PeJP NA NA +PJ109157 GDDDEMHR C36H55N13O17S 973.356 NA PeJP NA NA +PJ109158 GDKMMMMM C37H67N9O11S5 973.3564 NA PeJP NA NA +PJ109159 SDDEHWW C44H51N11O15 973.3567 NA PeJP NA NA +PJ109160 GCCNQMRY C37H59N13O12S3 973.3569 NA PeJP NA NA +PJ109161 PCDMHWW C45H55N11O10S2 973.3575 NA PeJP NA NA +PJ109162 GSSSSSTCCR C33H59N13O17S2 973.3594 NA PeJP NA NA +PJ109163 SSSCNQYW C41H55N11O15S 973.36 NA PeJP NA NA +PJ109164 GSSCCCKMR C34H63N13O12S4 973.3602 NA PeJP NA NA +PJ109165 CCNNNNHR C34H55N17O13S2 973.3607 NA PeJP NA NA +PJ109166 CCEMFRW C42H59N11O10S3 973.3609 NA PeJP NA NA +PJ109167 CMYWWW C50H55N9O8S2 973.3615 NA PeJP NA NA +PJ109168 SSSSSNNEY C37H55N11O20 973.3625 NA PeJP NA NA +PJ109169 GGGGGGPEEEE C37H55N11O20 973.3626 NA PeJP NA NA +PJ109170 SSSSSCCKW C38H59N11O15S2 973.3634 NA PeJP NA NA +PJ109171 GNDEEHHH C38H51N15O16 973.3639 NA PeJP NA NA +PJ109172 SSDMYWW C46H55N9O13S 973.364 NA PeJP NA NA +PJ109173 GGDDMFFW C46H55N9O13S 973.3641 NA PeJP NA NA +PJ109174 TCCCCKKW C39H63N11O10S4 973.3643 NA PeJP NA NA +PJ109175 GCCDHHFR C39H55N15O11S2 973.3647 NA PeJP NA NA +PJ109176 ACMMFWW C47H59N9O8S3 973.3649 NA PeJP NA NA +PJ109177 SSSSSSSSQM C34H59N11O20S 973.3659 NA PeJP NA NA +PJ109178 SSSSEEYW C42H55N9O18 973.3665 NA PeJP NA NA +PJ109179 SPPDDEEW C42H55N9O18 973.3666 NA PeJP NA NA +PJ109180 SSSSCNKMM C35H63N11O15S3 973.3668 NA PeJP NA NA +PJ109181 SCNNDEHR C35H55N15O16S 973.3672 NA PeJP NA NA +PJ109182 GGGGSCDEHR C35H55N15O16S 973.3673 NA PeJP NA NA +PJ109183 SQEMMYW C43H59N9O13S2 973.3674 NA PeJP NA NA +PJ109184 GSMMMMMR C36H67N11O10S5 973.3676 NA PeJP NA NA +PJ109185 GCCCNRRY C36H59N15O11S3 973.3681 NA PeJP NA NA +PJ109186 MMMMHFF C44H63N9O8S4 973.3683 NA PeJP NA NA +PJ109187 CNMHHFW C44H55N13O9S2 973.3688 NA PeJP NA NA +PJ109188 SSTQEEMY C39H59N9O18S 973.3699 NA PeJP NA NA +PJ109189 SSEYYYY C47H55N7O16 973.3705 NA PeJP NA NA +PJ109190 SSTTMMMW C40H63N9O13S3 973.3708 NA PeJP NA NA +PJ109191 DDDMHRW C40H55N13O14S 973.3713 NA PeJP NA NA +PJ109192 GMMFYYY C48H59N7O11S2 973.3714 NA PeJP NA NA +PJ109193 PCCCKHHF C41H59N13O9S3 973.3721 NA PeJP NA NA +PJ109194 SSSTTTEMM C36H63N9O18S2 973.3733 NA PeJP NA NA +PJ109195 GSSSNQEEH C36H55N13O19 973.3737 NA PeJP NA NA +PJ109196 SSDDEEHR C36H55N13O19 973.3738 NA PeJP NA NA +PJ109197 TTTQMMMM C37H67N9O13S4 973.3741 NA PeJP NA NA +PJ109198 SSKEMMMM C37H67N9O13S4 973.3742 NA PeJP NA NA +PJ109199 SSCNNMRY C37H59N13O14S2 973.3746 NA PeJP NA NA +PJ109200 GGGGGAAEMMH C37H59N13O14S2 973.3747 NA PeJP NA NA +PJ109201 SNNNDHHH C37H51N17O15 973.3751 NA PeJP NA NA +PJ109202 GEEMHWW C45H55N11O12S 973.3753 NA PeJP NA NA +PJ109203 PPCCMMHR C38H63N13O9S4 973.3755 NA PeJP NA NA +PJ109204 SSSSSSSSCR C33H59N13O19S 973.3771 NA PeJP NA NA +PJ109205 GSSSSSNYW C41H55N11O17 973.3778 NA PeJP NA NA +PJ109206 SSSTCCCKR C34H63N13O14S3 973.378 NA PeJP NA NA +PJ109207 SCEMRYW C42H59N11O12S2 973.3786 NA PeJP NA NA +PJ109208 GGSSCCKFW C42H59N11O12S2 973.3787 NA PeJP NA NA +PJ109209 CCCCKKMR C35H67N13O9S5 973.3789 NA PeJP NA NA +PJ109210 NDEHHHW C42H51N15O13 973.3791 NA PeJP NA NA +PJ109211 GPCYYWW C50H55N9O10S 973.3793 NA PeJP NA NA +PJ109212 SSSDEMRY C38H59N11O17S 973.3811 NA PeJP NA NA +PJ109213 GGGGGSSTTMY C38H59N11O17S 973.3812 NA PeJP NA NA +PJ109214 GQEEYYW C46H55N9O15 973.3818 NA PeJP NA NA +PJ109215 NEMMMRY C39H63N11O12S3 973.382 NA PeJP NA NA +PJ109216 GSCNDHRW C39H55N15O13S 973.3825 NA PeJP NA NA +PJ109217 GTMMYWW C47H59N9O10S2 973.3827 NA PeJP NA NA +PJ109218 GSSSSSSSSTT C34H59N11O22 973.3836 NA PeJP NA NA +PJ109219 GSSSSSTCKM C35H63N11O17S2 973.3845 NA PeJP NA NA +PJ109220 GSSSNDDHR C35H55N15O18 973.385 NA PeJP NA NA +PJ109221 GSTTEMYW C43H59N9O15S 973.3852 NA PeJP NA NA +PJ109222 SSTMMMMR C36H67N11O12S4 973.3854 NA PeJP NA NA +PJ109223 GDFFYYY C51H55N7O13 973.3858 NA PeJP NA NA +PJ109224 GNNDMMHR C36H59N15O13S2 973.3859 NA PeJP NA NA +PJ109225 VNMMMYW C44H63N9O10S3 973.386 NA PeJP NA NA +PJ109226 GGGPMMMFF C44H63N9O10S3 973.3861 NA PeJP NA NA +PJ109227 SNNMHWW C44H55N13O11S 973.3865 NA PeJP NA NA +PJ109228 GSSTTTEEY C39H59N9O20 973.3877 NA PeJP NA NA +PJ109229 GSKEEMMY C40H63N9O15S2 973.3885 NA PeJP NA NA +PJ109230 GSPPPEEMM C40H63N9O15S2 973.3886 NA PeJP NA NA +PJ109231 GPNDDDRW C40H55N13O16 973.389 NA PeJP NA NA +PJ109232 ATMYYYY C48H59N7O13S 973.3892 NA PeJP NA NA +PJ109233 APCKMMMY C41H67N9O10S4 973.3894 NA PeJP NA NA +PJ109234 NQQMMHW C41H59N13O11S2 973.3899 NA PeJP NA NA +PJ109235 EMHWWW C49H55N11O9S 973.3905 NA PeJP NA NA +PJ109236 LEEEEYY C44H59N7O18 973.3917 NA PeJP NA NA +PJ109237 SSSSTLMMM C37H67N9O15S3 973.3919 NA PeJP NA NA +PJ109238 GSSSSCQRY C37H59N13O16S 973.3924 NA PeJP NA NA +PJ109239 ATKMMMMM C38H71N9O10S5 973.3928 NA PeJP NA NA +PJ109240 STEEHWW C45H55N11O14 973.393 NA PeJP NA NA +PJ109241 GGGGPEEWW C45H55N11O14 973.3931 NA PeJP NA NA +PJ109242 CDMMRRY C38H63N13O11S3 973.3933 NA PeJP NA NA +PJ109243 GNNQMHHH C38H55N17O12S 973.3937 NA PeJP NA NA +PJ109244 GGGGGGAMHHH C38H55N17O12S 973.3938 NA PeJP NA NA +PJ109245 SPMMHWW C46H59N11O9S2 973.3939 NA PeJP NA NA +PJ109246 GDHHHWW C46H51N15O10 973.3944 NA PeJP NA NA +PJ109247 CFFWWW C54H55N9O7S 973.3946 NA PeJP NA NA +PJ109248 NNNNNNDR C34H55N17O17 973.3962 NA PeJP NA NA +PJ109249 GGGGGGGGNNDR C34H55N17O17 973.3963 NA PeJP NA NA +PJ109250 SSSCNKYW C42H59N11O14S 973.3964 NA PeJP NA NA +PJ109251 QEYYWW C50H55N9O12 973.397 NA PeJP NA NA +PJ109252 GAEYYWW C50H55N9O12 973.3971 NA PeJP NA NA +PJ109253 GMMMRYW C43H63N11O9S3 973.3973 NA PeJP NA NA +PJ109254 GPTCHHHW C43H55N15O10S 973.3978 NA PeJP NA NA +PJ109255 SSSSSNDKY C38H59N11O19 973.3989 NA PeJP NA NA +PJ109256 GSTEMMRY C39H63N11O14S2 973.3998 NA PeJP NA NA +PJ109257 GNNNNQQW C39H55N15O15 973.4002 NA PeJP NA NA +PJ109258 GGGGGNNQQW C39H55N15O15 973.4003 NA PeJP NA NA +PJ109259 STTMYWW C47H59N9O12S 973.4004 NA PeJP NA NA +PJ109260 QMMMMFR C40H67N11O9S4 973.4006 NA PeJP NA NA +PJ109261 GAMMMMFR C40H67N11O9S4 973.4007 NA PeJP NA NA +PJ109262 CNQMHRW C40H59N15O10S2 973.4011 NA PeJP NA NA +PJ109263 CHHHFFF C48H55N13O8S 973.4018 NA PeJP NA NA +PJ109264 SSSSSSSSKM C35H63N11O19S 973.4023 NA PeJP NA NA +PJ109265 SSTTTEYW C43H59N9O17 973.4029 NA PeJP NA NA +PJ109266 SSSTCCKKM C36H67N11O14S3 973.4031 NA PeJP NA NA +PJ109267 SSNNEMHR C36H59N15O15S 973.4036 NA PeJP NA NA +PJ109268 GGGGGGGGPDMR C36H59N15O15S 973.4037 NA PeJP NA NA +PJ109269 SKEMMYW C44H63N9O12S2 973.4038 NA PeJP NA NA +PJ109270 CCCKKKMM C37H71N11O9S5 973.404 NA PeJP NA NA +PJ109271 GSSSQHWW C44H55N13O13 973.4043 NA PeJP NA NA +PJ109272 GMFFFYY C52H59N7O10S 973.4044 NA PeJP NA NA +PJ109273 PCCCQKHR C37H63N15O10S3 973.4045 NA PeJP NA NA +PJ109274 GCNNHHHR C37H55N19O11S 973.405 NA PeJP NA NA +PJ109275 SSTKEEMY C40H63N9O17S 973.4063 NA PeJP NA NA +PJ109276 TTTYYYY C48H59N7O15 973.4069 NA PeJP NA NA +PJ109277 AAKEMMMY C41H67N9O12S3 973.4072 NA PeJP NA NA +PJ109278 SEEMHRW C41H59N13O13S 973.4076 NA PeJP NA NA +PJ109279 GGSPPCDRW C41H59N13O13S 973.4077 NA PeJP NA NA +PJ109280 GPNEWWW C49H55N11O11 973.4083 NA PeJP NA NA +PJ109281 STTTTTTMM C37H67N9O17S2 973.4097 NA PeJP NA NA +PJ109282 SSSSSSNRY C37H59N13O18 973.4101 NA PeJP NA NA +PJ109283 GGSPNEEER C37H59N13O18 973.4102 NA PeJP NA NA +PJ109284 TTTKMMMM C38H71N9O12S4 973.4105 NA PeJP NA NA +PJ109285 SSCCQKRY C38H63N13O13S2 973.411 NA PeJP NA NA +PJ109286 GSDEHHHR C38H55N17O14 973.4115 NA PeJP NA NA +PJ109287 SPCRYYW C46H59N11O11S 973.4116 NA PeJP NA NA +PJ109288 SVEMHWW C46H59N11O11S 973.4117 NA PeJP NA NA +PJ109289 CMMMFRR C39H67N13O8S4 973.4119 NA PeJP NA NA +PJ109290 AYYWWW C54H55N9O9 973.4123 NA PeJP NA NA +PJ109291 CCNHRRW C39H59N17O9S2 973.4124 NA PeJP NA NA +PJ109292 GSTQQQYY C42H59N11O16 973.4141 NA PeJP NA NA +PJ109293 PEEEERW C42H59N11O16 973.4142 NA PeJP NA NA +PJ109294 SSCNDHRR C35H59N17O14S 973.4148 NA PeJP NA NA +PJ109295 GGSSCDHRR C35H59N17O14S 973.4149 NA PeJP NA NA +PJ109296 STMMRYW C43H63N11O11S2 973.415 NA PeJP NA NA +PJ109297 GGGAAPPMMW C43H63N11O11S2 973.4151 NA PeJP NA NA +PJ109298 TQEHHHW C43H55N15O12 973.4155 NA PeJP NA NA +PJ109299 AAMFYWW C51H59N9O9S 973.4157 NA PeJP NA NA +PJ109300 SSTTEMRY C39H63N11O16S 973.4175 NA PeJP NA NA +PJ109301 GGGGPLQEEM C39H63N11O16S 973.4176 NA PeJP NA NA +PJ109302 PVEEEWW C47H59N9O14 973.4182 NA PeJP NA NA +PJ109303 DKMMMRY C40H67N11O11S3 973.4184 NA PeJP NA NA +PJ109304 GSSNMHRW C40H59N15O12S 973.4189 NA PeJP NA NA +PJ109305 PCKMFYW C48H63N9O9S2 973.4191 NA PeJP NA NA +PJ109306 GNQHFWW C48H55N13O10 973.4195 NA PeJP NA NA +PJ109307 SPNDDDRR C36H59N15O17 973.4214 NA PeJP NA NA +PJ109308 SSSTLMYW C44H63N9O14S 973.4215 NA PeJP NA NA +PJ109309 SPPVEEMW C44H63N9O14S 973.4216 NA PeJP NA NA +PJ109310 GVFYYYY C52H59N7O12 973.4222 NA PeJP NA NA +PJ109311 DEMMHRR C37H63N15O12S2 973.4223 NA PeJP NA NA +PJ109312 CLKMMYW C45H67N9O9S3 973.4224 NA PeJP NA NA +PJ109313 SCQKHWW C45H59N13O10S 973.4229 NA PeJP NA NA +PJ109314 PNWWWW C53H55N11O8 973.4235 NA PeJP NA NA +PJ109315 GGPWWWW C53H55N11O8 973.4236 NA PeJP NA NA +PJ109316 SSSSTTLEY C40H63N9O19 973.424 NA PeJP NA NA +PJ109317 PVDKEEEE C40H63N9O19 973.4241 NA PeJP NA NA +PJ109318 ATTKEMMY C41H67N9O14S2 973.4249 NA PeJP NA NA +PJ109319 GSPNEERW C41H59N13O15 973.4254 NA PeJP NA NA +PJ109320 GVKMMMMF C42H71N9O9S4 973.4258 NA PeJP NA NA +PJ109321 VDMMHRW C42H63N13O10S2 973.4263 NA PeJP NA NA +PJ109322 SDHHHRW C42H55N17O11 973.4267 NA PeJP NA NA +PJ109323 APMHFWW C50H59N11O8S 973.4269 NA PeJP NA NA +PJ109324 GSSSSCKRY C38H63N13O15S 973.4288 NA PeJP NA NA +PJ109325 PNDKEWW C46H59N11O13 973.4294 NA PeJP NA NA +PJ109326 SMMMRRY C39H67N13O10S3 973.4296 NA PeJP NA NA +PJ109327 GAPCCKKMH C39H67N13O10S3 973.4297 NA PeJP NA NA +PJ109328 QEMHHHR C39H59N17O11S 973.4301 NA PeJP NA NA +PJ109329 ALMMHWW C47H63N11O8S2 973.4303 NA PeJP NA NA +PJ109330 ATHHHWW C47H55N15O9 973.4308 NA PeJP NA NA +PJ109331 GNNNDERR C35H59N17O16 973.4326 NA PeJP NA NA +PJ109332 GGGGGGGGGGGATR C35H59N17O16 973.4327 NA PeJP NA NA +PJ109333 GTTLEMHW C43H63N11O13S 973.4328 NA PeJP NA NA +PJ109334 KEYYWW C51H59N9O11 973.4334 NA PeJP NA NA +PJ109335 GAAEFFFW C51H59N9O11 973.4335 NA PeJP NA NA +PJ109336 VQMHHHW C44H59N15O9S 973.4341 NA PeJP NA NA +PJ109337 SSSSSTQKY C39H63N11O18 973.4353 NA PeJP NA NA +PJ109338 SSSLMMRY C40H67N11O13S2 973.4361 NA PeJP NA NA +PJ109339 ATTTMMRY C40H67N11O13S2 973.4362 NA PeJP NA NA +PJ109340 SSSSQHRW C40H59N15O14 973.4366 NA PeJP NA NA +PJ109341 GGGGGAQERW C40H59N15O14 973.4367 NA PeJP NA NA +PJ109342 SPKMYYW C48H63N9O11S 973.4368 NA PeJP NA NA +PJ109343 KMMMMFR C41H71N11O8S4 973.437 NA PeJP NA NA +PJ109344 GPPCCRRW C41H63N15O9S2 973.4375 NA PeJP NA NA +PJ109345 AAQHHHHH C41H55N19O10 973.438 NA PeJP NA NA +PJ109346 TTTTTTYW C44H63N9O16 973.4393 NA PeJP NA NA +PJ109347 GPNDEMRR C37H63N15O14S 973.44 NA PeJP NA NA +PJ109348 APPLEMMW C45H67N9O11S2 973.4402 NA PeJP NA NA +PJ109349 SPNERWW C45H59N13O12 973.4406 NA PeJP NA NA +PJ109350 GGSPERWW C45H59N13O12 973.4407 NA PeJP NA NA +PJ109351 PCCCKKHR C38H67N15O9S3 973.4409 NA PeJP NA NA +PJ109352 CEHHHRR C38H59N19O10S 973.4414 NA PeJP NA NA +PJ109353 TTTTKEMY C41H67N9O16S 973.4427 NA PeJP NA NA +PJ109354 GTLKMMMY C42H71N9O11S3 973.4436 NA PeJP NA NA +PJ109355 PQQEMRW C42H63N13O12S 973.444 NA PeJP NA NA +PJ109356 GGGGGGAPKMW C42H63N13O12S 973.4441 NA PeJP NA NA +PJ109357 GPDKWWW C50H59N11O10 973.4447 NA PeJP NA NA +PJ109358 AMHHHRW C43H59N17O8S 973.4454 NA PeJP NA NA +PJ109359 TTTTEEHR C38H63N13O17 973.4465 NA PeJP NA NA +PJ109360 GGGGALEEER C38H63N13O17 973.4466 NA PeJP NA NA +PJ109361 SSCCKKRY C39H67N13O12S2 973.4474 NA PeJP NA NA +PJ109362 NNNDRRW C39H59N17O13 973.4479 NA PeJP NA NA +PJ109363 TTLMHWW C47H63N11O10S 973.448 NA PeJP NA NA +PJ109364 GGPLQMWW C47H63N11O10S 973.4481 NA PeJP NA NA +PJ109365 AAFFFWW C55H59N9O8 973.4487 NA PeJP NA NA +PJ109366 NHHHHHR C40H55N21O9 973.4492 NA PeJP NA NA +PJ109367 STTTLEHW C43H63N11O15 973.4505 NA PeJP NA NA +PJ109368 GPTQKEEW C43H63N11O15 973.4506 NA PeJP NA NA +PJ109369 SSSNMHRR C36H63N17O13S 973.4512 NA PeJP NA NA +PJ109370 GPCDDRRR C36H63N17O13S 973.4513 NA PeJP NA NA +PJ109371 LKEMMHW C44H67N11O10S2 973.4514 NA PeJP NA NA +PJ109372 GNQQRWW C44H59N15O11 973.4519 NA PeJP NA NA +PJ109373 PCKFFFW C52H63N9O8S 973.4521 NA PeJP NA NA +PJ109374 TTTTTMRY C40H67N11O15S 973.4539 NA PeJP NA NA +PJ109375 SVKEYYW C48H63N9O13 973.4546 NA PeJP NA NA +PJ109376 ACCKKKMY C41H71N11O10S3 973.4548 NA PeJP NA NA +PJ109377 PNDMRRW C41H63N15O11S 973.4553 NA PeJP NA NA +PJ109378 CLKMFFW C49H67N9O8S2 973.4554 NA PeJP NA NA +PJ109379 GSPRWWW C49H59N13O9 973.4559 NA PeJP NA NA +PJ109380 VTNNNQER C37H63N15O16 973.4577 NA PeJP NA NA +PJ109381 QQEEERR C37H63N15O16 973.4578 NA PeJP NA NA +PJ109382 PPTTLEMW C45H67N9O13S 973.4579 NA PeJP NA NA +PJ109383 GPLLEEMW C45H67N9O13S 973.458 NA PeJP NA NA +PJ109384 SPPCQMRR C38H67N15O11S2 973.4586 NA PeJP NA NA +PJ109385 GGGGCCKKKH C38H67N15O11S2 973.4587 NA PeJP NA NA +PJ109386 APQMRWW C46H63N13O9S 973.4593 NA PeJP NA NA +PJ109387 LHFWWW C54H59N11O7 973.4599 NA PeJP NA NA +PJ109388 SSTTTTTLY C41H67N9O18 973.4604 NA PeJP NA NA +PJ109389 PTLKEEEE C41H67N9O18 973.4605 NA PeJP NA NA +PJ109390 STTLKMMY C42H71N9O13S2 973.4613 NA PeJP NA NA +PJ109391 VQQEERW C42H63N13O14 973.4618 NA PeJP NA NA +PJ109392 TLMMHRW C43H67N13O9S2 973.4627 NA PeJP NA NA +PJ109393 TTHHHRW C43H59N17O10 973.4631 NA PeJP NA NA +PJ109394 STTLEMHR C39H67N13O14S 973.4651 NA PeJP NA NA +PJ109395 VTTTEMHR C39H67N13O14S 973.4652 NA PeJP NA NA +PJ109396 PTQKEWW C47H63N11O12 973.4658 NA PeJP NA NA +PJ109397 GVLMMMHR C40H71N13O9S3 973.466 NA PeJP NA NA +PJ109398 NNMHFRR C40H63N17O10S 973.4665 NA PeJP NA NA +PJ109399 LHHHHFF C48H59N15O8 973.4672 NA PeJP NA NA +PJ109400 NDEERRR C36H63N17O15 973.469 NA PeJP NA NA +PJ109401 SSTLLMHW C44H67N11O12S 973.4692 NA PeJP NA NA +PJ109402 PPLEFWW C52H63N9O10 973.4698 NA PeJP NA NA +PJ109403 SPPCCRRR C37H67N17O10S2 973.4699 NA PeJP NA NA +PJ109404 APCRRWW C45H63N15O8S 973.4705 NA PeJP NA NA +PJ109405 SSSSSTKKY C40H67N11O17 973.4717 NA PeJP NA NA +PJ109406 SSCKKKMY C41H71N11O12S2 973.4725 NA PeJP NA NA +PJ109407 PPTLEMMR C41H71N11O12S2 973.4726 NA PeJP NA NA +PJ109408 AQEERRW C41H63N15O13 973.473 NA PeJP NA NA +PJ109409 GGGGGGGGGKKW C41H63N15O13 973.4731 NA PeJP NA NA +PJ109410 PLLEMWW C49H67N9O10S 973.4732 NA PeJP NA NA +PJ109411 PMMHFRR C42H67N15O8S2 973.4739 NA PeJP NA NA +PJ109412 GPPHHHHR C42H59N19O9 973.4744 NA PeJP NA NA +PJ109413 GVLLEEEW C45H67N9O15 973.4757 NA PeJP NA NA +PJ109414 GPTQEMRR C38H67N15O13S 973.4764 NA PeJP NA NA +PJ109415 SPPLLMMW C46H71N9O10S2 973.4766 NA PeJP NA NA +PJ109416 GLQERWW C46H63N13O11 973.477 NA PeJP NA NA +PJ109417 GGALERWW C46H63N13O11 973.4771 NA PeJP NA NA +PJ109418 LMMMHRR C39H71N15O8S3 973.4773 NA PeJP NA NA +PJ109419 TMHHHRR C39H63N19O9S 973.4777 NA PeJP NA NA +PJ109420 PVLKEEEM C42H71N9O15S 973.4791 NA PeJP NA NA +PJ109421 AAPPLLMMM C43H75N9O10S3 973.4799 NA PeJP NA NA +PJ109422 GPPVVLMMM C43H75N9O10S3 973.48 NA PeJP NA NA +8300 ACE inhibitor EKERERQ 973.48 Bile-acid glycine conjugates ;SYN:(23R)-Hydroxychenodeoxycholylglycine; 12-Deoxycholylglycine; 12-Desoxycholylglycine; 3a,7a-Dihydroxy-N-(carboxymethyl)-5b-cholan-24-amide; Chenodeoxycholic acid glycine conjugate; Chenodeoxycholylglycine; Glycine chenodeoxycholate; Glycochenodeoxycholate; Glycochenodeoxycholic acid; Glycylchenodeoxycholate; Glycylchenodeoxycholic acid; N-(3a,7a-dihydroxy-5b-cholan-24-oyl)-Glycine; N-(carboxymethyl)-3a,7a-dihydroxy-5b-Cholan-24-amideH2Bile; Blood; Urine Inhouse_peptide NA peptide +PJ109423 GSNNDRRR C35H63N19O14 973.4802 NA PeJP NA NA +PJ109424 GGGGGSDRRR C35H63N19O14 973.4803 NA PeJP NA NA +PJ109425 PQKEMRW C43H67N13O11S 973.4804 NA PeJP NA NA +PJ109426 APTKWWW C51H63N11O9 973.4811 NA PeJP NA NA +PJ109427 GVQKEEER C39H67N13O16 973.4829 NA PeJP NA NA +PJ109428 SSLLMMHR C40H71N13O11S2 973.4838 NA PeJP NA NA +PJ109429 SNQQRRW C40H63N17O12 973.4842 NA PeJP NA NA +PJ109430 GDERRRW C40H63N17O12 973.4843 NA PeJP NA NA +PJ109431 PVQKMWW C48H67N11O9S 973.4844 NA PeJP NA NA +PJ109432 LLEEERW C44H67N11O14 973.4869 NA PeJP NA NA +PJ109433 GGGVLKEEW C44H67N11O14 973.487 NA PeJP NA NA +PJ109434 GSPDMRRR C37H67N17O12S 973.4876 NA PeJP NA NA +PJ109435 GGGGGGGLMRR C37H67N17O12S 973.4877 NA PeJP NA NA +PJ109436 GPPKKMMW C45H71N11O9S2 973.4878 NA PeJP NA NA +PJ109437 AAERRWW C45H63N15O10 973.4883 NA PeJP NA NA +PJ109438 SPLLEEMR C41H71N11O14S 973.4903 NA PeJP NA NA +PJ109439 TTLKYYW C49H67N9O12 973.4909 NA PeJP NA NA +PJ109440 VLLEEWW C49H67N9O12 973.491 NA PeJP NA NA +PJ109441 PPVLMMMR C42H75N11O9S3 973.4912 NA PeJP NA NA +PJ109442 PTQMRRW C42H67N15O10S 973.4916 NA PeJP NA NA +PJ109443 GAPTMRRW C42H67N15O10S 973.4917 NA PeJP NA NA +PJ109444 LQRWWW C50H63N13O8 973.4923 NA PeJP NA NA +PJ109445 ASVQEERR C38H67N15O15 973.4941 NA PeJP NA NA +PJ109446 QKEEERR C38H67N15O15 973.4942 NA PeJP NA NA +PJ109447 SPVLLEMW C46H71N9O12S 973.4943 NA PeJP NA NA +PJ109448 GPVQMMRR C39H71N15O10S2 973.495 NA PeJP NA NA +PJ109449 GSPQHHRR C39H63N19O11 973.4955 NA PeJP NA NA +PJ109450 APKMRWW C47H67N13O8S 973.4957 NA PeJP NA NA +MJ098986 Glomosporin C42H71N9O17 973.496791 NA MeJP NA NA +PJ109451 VVLKEEEE C42H71N9O17 973.4968 NA PeJP NA NA +PJ109452 PLLLQEMM C43H75N9O12S2 973.4977 NA PeJP NA NA +PJ109453 VQKEERW C43H67N13O13 973.4982 NA PeJP NA NA +PJ109454 NNQMRRR C36H67N19O11S 973.4989 NA PeJP NA NA +PJ109455 DRRRWW C44H63N17O9 973.4995 NA PeJP NA NA +PJ109456 APDKKEMR C40H71N13O13S 973.5015 NA PeJP NA NA +PJ109457 GPKKEEMR C40H71N13O13S 973.5016 NA PeJP NA NA +PJ109458 PTKKEWW C48H67N11O11 973.5022 NA PeJP NA NA +PJ109459 PTCRRRW C41H67N17O9S 973.5029 NA PeJP NA NA +PJ109460 TQEERRR C37H67N17O14 973.5054 NA PeJP NA NA +PJ109461 NKKKMYY C45H71N11O11S 973.5055 NA PeJP NA NA +PJ109462 GPVKKEMW C45H71N11O11S 973.5056 NA PeJP NA NA +MJ098987 Phakellistatin 11 C53H67N9O9 973.506174 NA MeJP NA NA +PJ109463 PPLLYWW C53H67N9O9 973.5062 NA PeJP NA NA +PJ109464 PQMMRRR C38H71N17O9S2 973.5063 NA PeJP NA NA +PJ109465 SVLLEEER C41H71N11O16 973.5081 NA PeJP NA NA +PJ109466 PVVLEMMR C42H75N11O11S2 973.5089 NA PeJP NA NA +PJ109467 GGGAPLLKMM C42H75N11O11S2 973.509 NA PeJP NA NA +PJ109468 AKEERRW C42H67N15O12 973.5094 NA PeJP NA NA +PJ109469 APPLLMFW C50H71N9O9S 973.5096 NA PeJP NA NA +PJ109470 CNNRRRR C35H67N21O10S 973.5101 NA PeJP NA NA +PJ109471 ATLLLEEW C46H71N9O14 973.5121 NA PeJP NA NA +PJ109472 GPTKEMRR C39H71N15O12S 973.5128 NA PeJP NA NA +PJ109473 APLLLMMW C47H75N9O9S2 973.513 NA PeJP NA NA +PJ109474 GLKERWW C47H67N13O10 973.5134 NA PeJP NA NA +PJ109475 VLLLQEEM C43H75N9O14S 973.5155 NA PeJP NA NA +PJ109476 SDERRRR C36H67N19O13 973.5166 NA PeJP NA NA +PJ109477 PKKEMRW C44H71N13O10S 973.5168 NA PeJP NA NA +PJ109478 GVLKWWW C52H67N11O8 973.5175 NA PeJP NA NA +PJ109479 GVKKEEER C40H71N13O15 973.5193 NA PeJP NA NA +PJ109480 SPPKKMMR C41H75N13O10S2 973.5202 NA PeJP NA NA +PJ109481 ATERRRW C41H67N17O11 973.5206 NA PeJP NA NA +PJ109482 GGGGTKRRW C41H67N17O11 973.5207 NA PeJP NA NA +PJ109483 PVKKMWW C49H71N11O8S 973.5208 NA PeJP NA NA +PJ109484 AALKKEEW C45H71N11O13 973.5233 NA PeJP NA NA +PJ109485 VQEMRRR C38H71N17O11S 973.524 NA PeJP NA NA +PJ109486 GTLRRWW C46H67N15O9 973.5247 NA PeJP NA NA +PJ109487 ALLLEEMR C42H75N11O13S 973.5267 NA PeJP NA NA +PJ109488 SPPVLLYW C50H71N9O11 973.5273 NA PeJP NA NA +PJ109489 GPLLLEFW C50H71N9O11 973.5274 NA PeJP NA NA +PJ109490 PTKMRRW C43H71N15O9S 973.528 NA PeJP NA NA +PJ109491 LKRWWW C51H67N13O7 973.5287 NA PeJP NA NA +PJ109492 KKEEERR C39H71N15O14 973.5305 NA PeJP NA NA +PJ109493 GGGAATKKER C39H71N15O14 973.5306 NA PeJP NA NA +PJ109494 GLLLLEMW C47H75N9O11S 973.5307 NA PeJP NA NA +PJ109495 GPVKMMRR C40H75N15O9S2 973.5314 NA PeJP NA NA +PJ109496 GSPKHHRR C40H67N19O10 973.5319 NA PeJP NA NA +PJ109497 TLLLKEEE C43H75N9O16 973.5332 NA PeJP NA NA +PJ109498 PLLLKEMM C44H79N9O11S2 973.5341 NA PeJP NA NA +PJ109499 SSPTLKRW C44H71N13O12 973.5345 NA PeJP NA NA +PJ109500 VKKEERW C44H71N13O12 973.5346 NA PeJP NA NA +PJ109501 AEMRRRR C37H71N19O10S 973.5352 NA PeJP NA NA +PJ109502 CLDRRRR C37H71N19O10S 973.5353 NA PeJP NA NA +PJ109503 GPFRRRW C45H67N17O8 973.5359 NA PeJP NA NA +PJ109504 SPVKKEMR C41H75N13O12S 973.5379 NA PeJP NA NA +PJ109505 GGGGGGLLKKM C41H75N13O12S 973.538 NA PeJP NA NA +PJ109506 VVKKEWW C49H71N11O10 973.5386 NA PeJP NA NA +PJ109507 GLMRRRW C42H71N17O8S 973.5393 NA PeJP NA NA +PJ109508 TKEERRR C38H71N17O13 973.5418 NA PeJP NA NA +PJ109509 APTLKKMW C46H75N11O10S 973.542 NA PeJP NA NA +PJ109510 PLLLFWW C54H71N9O8 973.5426 NA PeJP NA NA +PJ109511 VNHHRRR C39H67N21O9 973.5431 NA PeJP NA NA +PJ109512 ASPTTLKKE C42H75N11O15 973.5444 NA PeJP NA NA +PJ109513 TTLLLEER C42H75N11O15 973.5445 NA PeJP NA NA +PJ109514 PTLLLMMR C43H79N11O10S2 973.5453 NA PeJP NA NA +PJ109515 SLKERRW C43H71N15O11 973.5458 NA PeJP NA NA +PJ109516 LLLLMWW C51H75N9O8S 973.546 NA PeJP NA NA +PJ109517 STLLLLEW C47H75N9O13 973.5485 NA PeJP NA NA +PJ109518 AALKEMRR C40H75N15O11S 973.5492 NA PeJP NA NA +PJ109519 SVLKRWW C48H71N13O9 973.5498 NA PeJP NA NA +PJ109520 AATLLLLEM C44H79N9O13S 973.5518 NA PeJP NA NA +PJ109521 VLLLKEEM C44H79N9O13S 973.5519 NA PeJP NA NA +PJ109522 TTERRRR C37H71N19O12 973.553 NA PeJP NA NA +PJ109523 LLQKMRW C45H75N13O9S 973.5532 NA PeJP NA NA +PJ109524 GHHRRRR C38H67N23O8 973.5544 NA PeJP NA NA +PJ109525 ATLKKEER C41H75N13O14 973.5557 NA PeJP NA NA +PJ109526 APLKKMMR C42H79N13O9S2 973.5566 NA PeJP NA NA +PJ109527 STLRRRW C42H71N17O10 973.557 NA PeJP NA NA +PJ109528 GTLLKKEW C46H75N11O12 973.5597 NA PeJP NA NA +PJ109529 VKEMRRR C39H75N17O10S 973.5604 NA PeJP NA NA +PJ109530 VLHFFRR C47H71N15O8 973.561 NA PeJP NA NA +PJ109531 LLLHHRW C47H71N15O8 973.5611 NA PeJP NA NA +PJ109532 SLLLLEMR C43H79N11O12S 973.5631 NA PeJP NA NA +PJ109533 GPLLLLYW C51H75N9O10 973.5637 NA PeJP NA NA +PJ109534 VVKMRRW C44H75N15O8S 973.5644 NA PeJP NA NA +PJ109535 ATTLKERR C40H75N15O13 973.5669 NA PeJP NA NA +PJ109536 SVLLLLMW C48H79N9O10S 973.5671 NA PeJP NA NA +PJ109537 APRRRRY C41H71N19O9 973.5683 NA PeJP NA NA +PJ109538 SSSLLLLLE C44H79N9O15 973.5696 NA PeJP NA NA +PJ109539 LLLLLQMM C45H83N9O10S2 973.5705 NA PeJP NA NA +PJ109540 GTTLLKRW C45H75N13O11 973.5709 NA PeJP NA NA +PJ109541 GAKKKKEW C45H75N13O11 973.571 NA PeJP NA NA +PJ109542 SLMRRRR C38H75N19O9S 973.5716 NA PeJP NA NA +PJ109543 GLLKKEMR C42H79N13O11S 973.5743 NA PeJP NA NA +PJ109544 TLLKKWW C50H75N11O9 973.575 NA PeJP NA NA +PJ109545 SSSLLRRR C39H75N17O12 973.5782 NA PeJP NA NA +PJ109546 GVLLKKMW C47H79N11O9S 973.5783 NA PeJP NA NA +PJ109547 PPHRRRR C40H71N21O8 973.5795 NA PeJP NA NA +PJ109548 SLLKKKEE C43H79N11O14 973.5808 NA PeJP NA NA +PJ109549 VVLLLMMR C44H83N11O9S2 973.5817 NA PeJP NA NA +PJ109550 TQKKKRW C44H75N15O10 973.5822 NA PeJP NA NA +PJ109551 PVLLLKEY C48H79N9O12 973.5849 NA PeJP NA NA +PJ109552 ASLLKMRR C41H79N15O10S 973.5855 NA PeJP NA NA +PJ109553 GTLLKMRR C41H79N15O10S 973.5856 NA PeJP NA NA +PJ109554 AKKKKWW C49H75N13O8 973.5862 NA PeJP NA NA +PJ109555 GTTLLLLLM C45H83N9O12S 973.5882 NA PeJP NA NA +PJ109556 GSSKKRRR C38H75N19O11 973.5894 NA PeJP NA NA +PJ109557 LLKKMRW C46H79N13O8S 973.5896 NA PeJP NA NA +PJ109558 STLLKKER C42H79N13O13 973.5921 NA PeJP NA NA +PJ109559 PVKRRRY C43H75N17O9 973.5934 NA PeJP NA NA +PJ109560 SSLLLKKW C47H79N11O11 973.5961 NA PeJP NA NA +PJ109561 QKKKMRR C40H79N17O9S 973.5968 NA PeJP NA NA +PJ109562 VVLKKKEM C44H83N11O11S 973.5995 NA PeJP NA NA +PJ109563 GLLLLLFW C52H79N9O9 973.6001 NA PeJP NA NA +PJ109564 STTLLKRR C41H79N15O12 973.6033 NA PeJP NA NA +PJ109565 PLLLLKMF C49H83N9O9S 973.6035 NA PeJP NA NA +PJ109566 ALFRRRR C42H75N19O8 973.6046 NA PeJP NA NA +PJ109567 LKKHHRR C42H75N19O8 973.6047 NA PeJP NA NA +PJ109568 STTTLLLLL C45H83N9O14 973.606 NA PeJP NA NA +PJ109569 LLLLLKMM C46H87N9O9S2 973.6069 NA PeJP NA NA +PJ109570 KKKKKEW C46H79N13O10 973.6073 NA PeJP NA NA +PJ109571 CKKKRRR C39H79N19O8S 973.608 NA PeJP NA NA +PJ109572 SVLLKKMR C43H83N13O10S 973.6107 NA PeJP NA NA +MJ098988 Sphinxolide A; 8-Demethoxy, 19-Me ether C54H87NO14 973.612656 NA MeJP NA NA +PJ109573 GTTKKKRR C40H79N17O11 973.6145 NA PeJP NA NA +PJ109574 GTTTLLLKK C44H83N11O13 973.6172 NA PeJP NA NA +PJ109575 TKKKKRW C45H79N15O9 973.6186 NA PeJP NA NA +PJ109576 VLLLLLQY C49H83N9O11 973.6212 NA PeJP NA NA +PJ109577 GGILLLLLY C49H83N9O11 973.6213 NA PeJP NA NA +PJ109578 GVKKKKMR C42H83N15O9S 973.6219 NA PeJP NA NA +PJ109579 SVKKKKKE C43H83N13O12 973.6285 NA PeJP NA NA +PJ109580 VLKFRRR C44H79N17O8 973.6298 NA PeJP NA NA +PJ109581 ALLLLLRY C48H83N11O10 973.6325 NA PeJP NA NA +PJ109582 KKKKMRR C41H83N17O8S 973.6332 NA PeJP NA NA +PJ109583 TLLLKKKM C45H87N11O10S 973.6359 NA PeJP NA NA +PJ109584 SSLKKKKR C42H83N15O11 973.6397 NA PeJP NA NA +PJ109585 GLLLKKFR C47H83N13O9 973.6437 NA PeJP NA NA +PJ109586 ALKKKKKM C44H87N13O9S 973.6471 NA PeJP NA NA +PJ109587 VLLLLLKY C50H87N9O10 973.6576 NA PeJP NA NA +PJ109588 TTLKKKKK C44H87N13O11 973.6648 NA PeJP NA NA +PJ109589 VVLLKKKF C49H87N11O9 973.6689 NA PeJP NA NA +MJ098989 Iantheran A C32H18Br4O12S2 973.697318 NA MeJP NA NA +MJ098990 Primycin; Primycin A3, 18-O-Dearabinosyl C52H99N3O13 973.71779 NA MeJP NA NA +HMDB04840 Galabiosylceramide (d18:1/24:0) C54H103NO13 973.74292 http://www.hmdb.ca/metabolites/HMDB04840 HMDB NA NA +HMDB04875 Lactosylceramide (d18:1/24:0) C54H103NO13 973.74292 http://www.hmdb.ca/metabolites/HMDB04875 HMDB NA NA +HMDB04840 Galabiosylceramide (d18:1/24:0) C54H103NO13 973.74292 HMDB04840 PFEM_hmdb_metabocards_official NA NA +HMDB04875 Lactosylceramide (d18:1/24:0) C54H103NO13 973.74292 HMDB04875 PFEM_hmdb_metabocards_official NA NA +HMDB04840 Galabiosylceramide (d18:1/24:0) C54H103NO13 973.74292 NA HMDB2010 NA NA +HMDB11595 Lactosylceramide (d18:1/24:0) C54H103NO13 973.74292 NA HMDB2010 NA NA +MJ098991 Cytolipin H C54H103NO13 973.742942 NA MeJP NA NA +MJ098992 Plakoside B C59H107NO9 973.794584 NA MeJP NA NA +PJ109590 SCCCCCCNH C31H50N12O12S6 974.1996 NA PeJP NA NA +PJ109591 PCCCCCNDD C32H50N10O15S5 974.2061 NA PeJP NA NA +PJ109592 CCCCCDYY C37H50N8O13S5 974.2101 NA PeJP NA NA +PJ109593 GCCCNDDDM C32H50N10O17S4 974.2239 NA PeJP NA NA +PJ109594 GSPPCCCCCC C33H54N10O12S6 974.2247 NA PeJP NA NA +PJ109595 CCCCCMFY C38H54N8O10S6 974.2288 NA PeJP NA NA +PJ109596 SCCCCNNND C31H50N12O16S4 974.2351 NA PeJP NA NA +PJ109597 CCCCNDEW C36H50N10O14S4 974.2391 NA PeJP NA NA +PJ109598 SSCCCNDDE C32H50N10O19S3 974.2416 NA PeJP NA NA +PJ109599 SPCCCCNDM C33H54N10O14S5 974.2425 NA PeJP NA NA +PJ109600 CDDDDDDY C36H46N8O22S 974.2448 NA PeJP NA NA +PJ109601 SCCCCMYY C38H54N8O12S5 974.2465 NA PeJP NA NA +PJ109602 CDDDDMMM C34H54N8O17S4 974.249 NA PeJP NA NA +PJ109603 GCCCCNNQM C32H54N12O13S5 974.2537 NA PeJP NA NA +PJ109604 GGGGGGACCCCM C32H54N12O13S5 974.2538 NA PeJP NA NA +PJ109605 GCCCCDWW C40H50N10O11S4 974.2544 NA PeJP NA NA +PJ109606 GSSCCCDDW C36H50N10O16S3 974.2569 NA PeJP NA NA +PJ109607 GPTCCCCCW C37H54N10O11S5 974.2577 NA PeJP NA NA +PJ109608 ASPCCCCCW C37H54N10O11S5 974.2578 NA PeJP NA NA +PJ109609 GSSSSCCDDD C32H50N10O21S2 974.2594 NA PeJP NA NA +PJ109610 ATCCCCDQE C33H54N10O16S4 974.2602 NA PeJP NA NA +PJ109611 GSCCNDDMM C33H54N10O16S4 974.2603 NA PeJP NA NA +PJ109612 GPCCCCQMM C34H58N10O11S6 974.2611 NA PeJP NA NA +PJ109613 CCCCCFFF C42H54N8O9S5 974.2618 NA PeJP NA NA +PJ109614 CDDDDDMF C37H50N8O19S2 974.2634 NA PeJP NA NA +PJ109615 GCCCCCNNR C31H54N14O12S5 974.265 NA PeJP NA NA +PJ109616 CCDDDMHH C35H50N12O15S3 974.2681 NA PeJP NA NA +PJ109617 GSCCCCDER C32H54N12O15S4 974.2715 NA PeJP NA NA +PJ109618 GPCCCCCMR C33H58N12O10S6 974.2724 NA PeJP NA NA +PJ109619 DDDDDDEH C35H46N10O23 974.2738 NA PeJP NA NA +PJ109620 CCNNDDEY C36H50N10O18S2 974.2746 NA PeJP NA NA +PJ109621 GGGGCCDDEY C36H50N10O18S2 974.2747 NA PeJP NA NA +PJ109622 SCCCNEMW C37H54N10O13S4 974.2755 NA PeJP NA NA +PJ109623 SSSCCNDEM C33H54N10O18S3 974.278 NA PeJP NA NA +PJ109624 CCNNEMMM C34H58N10O13S5 974.2789 NA PeJP NA NA +PJ109625 GSCCCNDHH C34H50N14O14S3 974.2794 NA PeJP NA NA +PJ109626 ACCCCFYY C42H54N8O11S4 974.2795 NA PeJP NA NA +PJ109627 SDDDDDMY C37H50N8O21S 974.2812 NA PeJP NA NA +PJ109628 PCCDDEMY C38H54N8O16S3 974.282 NA PeJP NA NA +PJ109629 SDDDMMMM C35H58N8O16S4 974.2854 NA PeJP NA NA +PJ109630 GPCCNDDDH C35H50N12O17S2 974.2859 NA PeJP NA NA +PJ109631 PCCEMMMM C36H62N8O11S6 974.2863 NA PeJP NA NA +PJ109632 SCCCCDRW C36H54N12O12S4 974.2867 NA PeJP NA NA +PJ109633 SSSCCCDDR C32H54N12O17S3 974.2892 NA PeJP NA NA +PJ109634 GGGGGSSSTCCC C32H54N12O17S3 974.2893 NA PeJP NA NA +PJ109635 GCCNDDYW C40H50N10O15S2 974.2899 NA PeJP NA NA +PJ109636 CCCNDMMR C33H58N12O12S5 974.2901 NA PeJP NA NA +PJ109637 GSCCCMWW C41H54N10O10S4 974.2908 NA PeJP NA NA +PJ109638 GSSCNDDDY C36H50N10O20S 974.2924 NA PeJP NA NA +PJ109639 GSSSCCDMW C37H54N10O15S3 974.2933 NA PeJP NA NA +PJ109640 GCCNMMMW C38H58N10O10S5 974.2941 NA PeJP NA NA +PJ109641 GSSSSSCDDM C33H54N10O20S2 974.2958 NA PeJP NA NA +PJ109642 GSSCNDMMM C34H58N10O15S4 974.2966 NA PeJP NA NA +PJ109643 GTCCCYYY C42H54N8O13S3 974.2973 NA PeJP NA NA +PJ109644 GPCCCCKMM C35H62N10O10S6 974.2975 NA PeJP NA NA +PJ109645 CCCNQMHH C35H54N14O11S4 974.298 NA PeJP NA NA +PJ109646 GDDDEMMY C38H54N8O18S2 974.2998 NA PeJP NA NA +PJ109647 PCCDEMMF C39H58N8O13S4 974.3007 NA PeJP NA NA +PJ109648 CCCCCERR C32H58N14O11S5 974.3014 NA PeJP NA NA +PJ109649 NNDDDDMH C35H50N12O19S 974.3036 NA PeJP NA NA +PJ109650 GGGGDDDDMH C35H50N12O19S 974.3037 NA PeJP NA NA +PJ109651 GDEMMMMM C36H62N8O13S5 974.304 NA PeJP NA NA +PJ109652 CCNNNNMY C36H54N12O14S3 974.3045 NA PeJP NA NA +PJ109653 ACCCCMRW C37H58N12O9S5 974.3054 NA PeJP NA NA +PJ109654 SSSSSSCCNN C32H54N12O19S2 974.307 NA PeJP NA NA +PJ109655 GSSCCCEMR C33H58N12O14S4 974.3079 NA PeJP NA NA +PJ109656 SSTCCCWW C41H54N10O12S3 974.3085 NA PeJP NA NA +PJ109657 CCCCNHHR C34H54N16O10S4 974.3092 NA PeJP NA NA +PJ109658 SDDDEEEH C36H50N10O22 974.3102 NA PeJP NA NA +PJ109659 SSSSSCCEW C37H54N10O17S2 974.311 NA PeJP NA NA +PJ109660 SSCCQMMW C38H58N10O12S4 974.3119 NA PeJP NA NA +PJ109661 SSSSSSSCDE C33H54N10O22S 974.3135 NA PeJP NA NA +PJ109662 GDDDDEFY C41H50N8O20 974.3142 NA PeJP NA NA +PJ109663 SSSSCNEMM C34H58N10O17S3 974.3144 NA PeJP NA NA +PJ109664 GSCNNNDDH C34H50N14O18S 974.3149 NA PeJP NA NA +PJ109665 DDDMMYW C42H54N8O15S2 974.315 NA PeJP NA NA +PJ109666 PCCDDEFF C42H54N8O15S2 974.3151 NA PeJP NA NA +PJ109667 SCNQMMMM C35H62N10O12S5 974.3153 NA PeJP NA NA +PJ109668 GSSCCNMHH C35H54N14O13S3 974.3157 NA PeJP NA NA +PJ109669 GGGGGPCCCQH C35H54N14O13S3 974.3158 NA PeJP NA NA +PJ109670 SSDDEEMY C38H54N8O20S 974.3175 NA PeJP NA NA +PJ109671 SPCDEMMY C39H58N8O15S3 974.3184 NA PeJP NA NA +PJ109672 GCNDDEHW C39H50N12O16S 974.3189 NA PeJP NA NA +PJ109673 DMMMMMW C40H62N8O10S5 974.3193 NA PeJP NA NA +PJ109674 PCCCEHHF C40H54N12O11S3 974.3198 NA PeJP NA NA +PJ109675 GSSNDDDEH C35H50N12O21 974.3214 NA PeJP NA NA +PJ109676 SSEEMMMM C36H62N8O15S4 974.3218 NA PeJP NA NA +PJ109677 GSSCCNNQY C36H54N12O16S2 974.3222 NA PeJP NA NA +PJ109678 SCCNDDRY C36H54N12O16S2 974.3223 NA PeJP NA NA +PJ109679 PTCMMMMM C37H66N8O10S6 974.3227 NA PeJP NA NA +PJ109680 SSCCCMRW C37H58N12O11S4 974.3231 NA PeJP NA NA +PJ109681 SCCDHHHH C37H50N16O12S2 974.3236 NA PeJP NA NA +PJ109682 CCCQFWW C45H54N10O9S3 974.3238 NA PeJP NA NA +PJ109683 GNNDDDYY C40H50N10O19 974.3254 NA PeJP NA NA +PJ109684 SSSSCCDMR C33H58N12O16S3 974.3256 NA PeJP NA NA +PJ109685 GSCNDMYW C41H54N10O14S2 974.3263 NA PeJP NA NA +PJ109686 SCCNMMMR C34H62N12O11S5 974.3265 NA PeJP NA NA +PJ109687 GCCMMHFF C42H58N10O9S4 974.3272 NA PeJP NA NA +PJ109688 GSSSNDDMY C37H54N10O19S 974.3288 NA PeJP NA NA +PJ109689 DDDDFYW C45H50N8O17 974.3294 NA PeJP NA NA +PJ109690 GSSSSCMMW C38H58N10O14S3 974.3296 NA PeJP NA NA +PJ109691 GGGNDMMMY C38H58N10O14S3 974.3297 NA PeJP NA NA +PJ109692 PCDDDHHH C38H50N14O15S 974.3301 NA PeJP NA NA +MJ098993 Derpanicate C46H54N8O12S2 974.33026 NA MeJP NA NA +PJ109693 CCNFYYY C46H54N8O12S2 974.3303 NA PeJP NA NA +PJ109694 ACCCKMMW C39H62N10O9S5 974.3305 NA PeJP NA NA +PJ109695 GSSSSSSDMM C34H58N10O19S2 974.3321 NA PeJP NA NA +PJ109696 GPDDDMYY C42H54N8O17S 974.3328 NA PeJP NA NA +PJ109697 GSSSNMMMM C35H62N10O14S4 974.333 NA PeJP NA NA +PJ109698 SSSSCCQHH C35H54N14O15S2 974.3335 NA PeJP NA NA +PJ109699 DDMMMFW C43H58N8O12S3 974.3337 NA PeJP NA NA +PJ109700 CNDDHWW C43H50N12O13S 974.3341 NA PeJP NA NA +PJ109701 GGCDDHWW C43H50N12O13S 974.3342 NA PeJP NA NA +PJ109702 GPPCCCCHR C36H58N14O10S4 974.3344 NA PeJP NA NA +PJ109703 GSEEEMMY C39H58N8O17S2 974.3362 NA PeJP NA NA +PJ109704 SSNDDDHW C39H50N12O18 974.3366 NA PeJP NA NA +PJ109705 GPDMMMMY C40H62N8O12S4 974.337 NA PeJP NA NA +PJ109706 SPCCNEHW C40H54N12O13S2 974.3375 NA PeJP NA NA +PJ109707 TCCCCMRR C33H62N14O10S5 974.3377 NA PeJP NA NA +PJ109708 CMMMHHW C41H58N12O8S4 974.3384 NA PeJP NA NA +PJ109709 SSSSCNNNY C36H54N12O18S 974.34 NA PeJP NA NA +PJ109710 ATEMMMMM C37H66N8O12S5 974.3404 NA PeJP NA NA +PJ109711 GCCNEMRY C37H58N12O13S3 974.3409 NA PeJP NA NA +PJ109712 SCCQYWW C45H54N10O11S2 974.3415 NA PeJP NA NA +PJ109713 ACCMHHHH C38H54N16O9S3 974.3422 NA PeJP NA NA +PJ109714 SSSCNEYW C41H54N10O16S 974.344 NA PeJP NA NA +PJ109715 GGGGGDDMFY C41H54N10O16S 974.3441 NA PeJP NA NA +PJ109716 ASSSCCMMR C34H62N12O13S4 974.3442 NA PeJP NA NA +PJ109717 GSSTCCMMR C34H62N12O13S4 974.3443 NA PeJP NA NA +PJ109718 CCNNNDHR C34H54N16O14S2 974.3447 NA PeJP NA NA +PJ109719 GGGGGGCCDHR C34H54N16O14S2 974.3448 NA PeJP NA NA +PJ109720 CNQMMYW C42H58N10O11S3 974.3449 NA PeJP NA NA +PJ109721 SSSSSNDEY C37H54N10O21 974.3465 NA PeJP NA NA +PJ109722 GGGGPDEEEE C37H54N10O21 974.3466 NA PeJP NA NA +PJ109723 SSSSSTCMW C38H58N10O16S2 974.3474 NA PeJP NA NA +PJ109724 GDDEEHHH C38H50N14O17 974.3479 NA PeJP NA NA +PJ109725 SCNYYYY C46H54N8O14S 974.348 NA PeJP NA NA +PJ109726 PCDEYYW C46H54N8O14S 974.3481 NA PeJP NA NA +PJ109727 SSCCKMMW C39H62N10O11S4 974.3483 NA PeJP NA NA +PJ109728 GCNNNMHW C39H54N14O12S2 974.3487 NA PeJP NA NA +PJ109729 GGGCNNMHW C39H54N14O12S2 974.3488 NA PeJP NA NA +PJ109730 SSSSSSSSEM C34H58N10O21S 974.3499 NA PeJP NA NA +PJ109731 NEEEEYY C42H54N8O19 974.3505 NA PeJP NA NA +PJ109732 GGEEEEYY C42H54N8O19 974.3506 NA PeJP NA NA +PJ109733 SSSSSQMMM C35H62N10O16S3 974.3508 NA PeJP NA NA +PJ109734 SCNDDEHR C35H54N14O17S 974.3512 NA PeJP NA NA +PJ109735 GGSCDDEHR C35H54N14O17S 974.3513 NA PeJP NA NA +PJ109736 SEEMMYW C43H58N8O14S2 974.3514 NA PeJP NA NA +PJ109737 SCNKMMMM C36H66N10O11S5 974.3516 NA PeJP NA NA +PJ109738 GGSCKMMMM C36H66N10O11S5 974.3517 NA PeJP NA NA +PJ109739 GCCCDRRY C36H58N14O12S3 974.3521 NA PeJP NA NA +PJ109740 PPCCMMFF C44H62N8O9S4 974.3523 NA PeJP NA NA +PJ109741 GSPCCHWW C44H54N12O10S2 974.3528 NA PeJP NA NA +PJ109742 SSTEEEMY C39H58N8O19S 974.3539 NA PeJP NA NA +PJ109743 AAEEMMMY C40H62N8O14S3 974.3548 NA PeJP NA NA +PJ109744 GSNDEMHW C40H54N12O15S 974.3553 NA PeJP NA NA +PJ109745 GPMMMMMF C41H66N8O9S5 974.3557 NA PeJP NA NA +PJ109746 CCNMRYW C41H58N12O10S3 974.3561 NA PeJP NA NA +PJ109747 GGGPCMMHW C41H58N12O10S3 974.3562 NA PeJP NA NA +PJ109748 PNDDDDER C36H54N12O20 974.3578 NA PeJP NA NA +PJ109749 TTTEMMMM C37H66N8O14S4 974.3582 NA PeJP NA NA +PJ109750 SSCNDMRY C37H58N12O15S2 974.3586 NA PeJP NA NA +PJ109751 GGGGGSSCCKY C37H58N12O15S2 974.3587 NA PeJP NA NA +PJ109752 GLMMMMMM C38H70N8O9S6 974.359 NA PeJP NA NA +PJ109753 SNNDDHHH C37H50N16O16 974.3591 NA PeJP NA NA +PJ109754 GSSSCYWW C45H54N10O13S 974.3593 NA PeJP NA NA +PJ109755 PCCCCKRY C38H62N12O10S4 974.3595 NA PeJP NA NA +PJ109756 SSCMHHHH C38H54N16O11S2 974.36 NA PeJP NA NA +PJ109757 CCCKFWW C46H58N10O8S3 974.3602 NA PeJP NA NA +PJ109758 GSSSSSDYW C41H54N10O18 974.3618 NA PeJP NA NA +PJ109759 SSSSSCMMR C34H62N12O15S3 974.362 NA PeJP NA NA +PJ109760 GSSNMMYW C42H58N10O13S2 974.3627 NA PeJP NA NA +PJ109761 TCCCKMMR C35H66N12O10S5 974.3629 NA PeJP NA NA +PJ109762 DDEHHHW C42H50N14O14 974.3631 NA PeJP NA NA +PJ109763 ASSSSNEMY C38H58N10O18S 974.3651 NA PeJP NA NA +PJ109764 GSSSSQEMY C38H58N10O18S 974.3652 NA PeJP NA NA +PJ109765 GEEEYYW C46H54N8O16 974.3658 NA PeJP NA NA +PJ109766 DEMMMRY C39H62N10O13S3 974.366 NA PeJP NA NA +PJ109767 GGGPPPCEMM C39H62N10O13S3 974.3661 NA PeJP NA NA +PJ109768 GSCDDHRW C39H54N14O14S 974.3665 NA PeJP NA NA +PJ109769 PCEMFYW C47H58N8O11S2 974.3667 NA PeJP NA NA +PJ109770 APCCCHRW C40H58N14O9S3 974.3674 NA PeJP NA NA +PJ109771 GSSSSSTTMM C35H62N10O18S2 974.3685 NA PeJP NA NA +PJ109772 GSSSDDDHR C35H54N14O19 974.369 NA PeJP NA NA +PJ109773 GGGGGGGGGGGAEE C35H54N14O19 974.3691 NA PeJP NA NA +PJ109774 GSPEEMYY C43H58N8O16S 974.3692 NA PeJP NA NA +PJ109775 GSSTCKMMM C36H66N10O13S4 974.3694 NA PeJP NA NA +PJ109776 GNDDMMHR C36H58N14O14S2 974.3699 NA PeJP NA NA +PJ109777 VDMMMYW C44H62N8O11S3 974.3701 NA PeJP NA NA +PJ109778 SNDMHWW C44H54N12O12S 974.3705 NA PeJP NA NA +PJ109779 GCCCMFRR C37H62N14O9S4 974.3708 NA PeJP NA NA +PJ109780 PVDEEEEE C39H58N8O21 974.3717 NA PeJP NA NA +PJ109781 ATTEEMMY C40H62N8O16S2 974.3726 NA PeJP NA NA +PJ109782 GPDDDDRW C40H54N12O17 974.373 NA PeJP NA NA +PJ109783 GGGGGGSPDEW C40H54N12O17 974.3731 NA PeJP NA NA +PJ109784 APTMMMMY C41H66N8O11S4 974.3734 NA PeJP NA NA +PJ109785 GSTCCRYW C41H58N12O12S2 974.3739 NA PeJP NA NA +PJ109786 GCNFYWW C49H54N10O10S 974.3745 NA PeJP NA NA +PJ109787 GGGCFYWW C49H54N10O10S 974.3746 NA PeJP NA NA +PJ109788 GSSSSCERY C37H58N12O17S 974.3764 NA PeJP NA NA +PJ109789 STLMMMMM C38H70N8O11S5 974.3768 NA PeJP NA NA +PJ109790 SNNEYYW C45H54N10O15 974.377 NA PeJP NA NA +PJ109791 PNDEEWW C45H54N10O15 974.3771 NA PeJP NA NA +PJ109792 GSCQMMRY C38H62N12O12S3 974.3773 NA PeJP NA NA +PJ109793 GNNEMHHH C38H54N16O13S 974.3777 NA PeJP NA NA +PJ109794 GGGNEMHHH C38H54N16O13S 974.3778 NA PeJP NA NA +PJ109795 SCCKYWW C46H58N10O10S2 974.3779 NA PeJP NA NA +PJ109796 NNNNNDDR C34H54N16O18 974.3802 NA PeJP NA NA +PJ109797 GGGGNNNDDR C34H54N16O18 974.3803 NA PeJP NA NA +PJ109798 SSSSQMYW C42H58N10O15S 974.3804 NA PeJP NA NA +PJ109799 EEYYWW C50H54N8O13 974.3811 NA PeJP NA NA +PJ109800 CNKMMYW C43H62N10O10S3 974.3813 NA PeJP NA NA +PJ109801 GCNNHHFF C43H54N14O11S 974.3818 NA PeJP NA NA +PJ109802 SSSSSTQEY C38H58N10O20 974.3829 NA PeJP NA NA +PJ109803 SSNDKMMY C39H62N10O15S2 974.3838 NA PeJP NA NA +PJ109804 GSSSSNNHW C39H54N14O16 974.3843 NA PeJP NA NA +PJ109805 SPEMYYW C47H58N8O13S 974.3844 NA PeJP NA NA +PJ109806 GPDDMFFF C47H58N8O13S 974.3845 NA PeJP NA NA +PJ109807 PCCCKKMY C40H66N10O10S4 974.3847 NA PeJP NA NA +PJ109808 CNEMHRW C40H58N14O11S2 974.3851 NA PeJP NA NA +PJ109809 GGGGACCKHW C40H58N14O11S2 974.3852 NA PeJP NA NA +PJ109810 GTCHWWW C48H54N12O9S 974.3858 NA PeJP NA NA +PJ109811 SSSSSSTTTM C35H62N10O20S 974.3863 NA PeJP NA NA +PJ109812 DKEEEYY C43H58N8O18 974.3869 NA PeJP NA NA +PJ109813 PPPDEEEY C43H58N8O18 974.387 NA PeJP NA NA +PJ109814 SSSSSKMMM C36H66N10O15S3 974.3871 NA PeJP NA NA +PJ109815 SSNDEMHR C36H58N14O16S 974.3876 NA PeJP NA NA +PJ109816 GGGGPNDDMR C36H58N14O16S 974.3877 NA PeJP NA NA +PJ109817 AAPEMMYY C44H62N8O13S2 974.3878 NA PeJP NA NA +PJ109818 TCCKKMMM C37H70N10O10S5 974.388 NA PeJP NA NA +PJ109819 GSSSEHWW C44H54N12O14 974.3883 NA PeJP NA NA +PJ109820 GSCCMRRY C37H62N14O11S3 974.3885 NA PeJP NA NA +PJ109821 VMMMMFW C45H66N8O8S4 974.3887 NA PeJP NA NA +PJ109822 GCNDHHHR C37H54N18O12S 974.389 NA PeJP NA NA +PJ109823 ANMMHWW C45H58N12O9S2 974.3891 NA PeJP NA NA +PJ109824 GQMMHWW C45H58N12O9S2 974.3892 NA PeJP NA NA +PJ109825 TTTTEEMY C40H62N8O18S 974.3903 NA PeJP NA NA +PJ109826 GTLEMMMY C41H66N8O13S3 974.3912 NA PeJP NA NA +PJ109827 SSSSCRYW C41H58N12O14S 974.3916 NA PeJP NA NA +PJ109828 SPPCDDRW C41H58N12O14S 974.3917 NA PeJP NA NA +PJ109829 GPDEWWW C49H54N10O12 974.3923 NA PeJP NA NA +PJ109830 APCCKMHW C42H62N12O9S3 974.3925 NA PeJP NA NA +PJ109831 NNMHHHW C42H54N16O10S 974.393 NA PeJP NA NA +PJ109832 SSSSSSDRY C37H58N12O19 974.3941 NA PeJP NA NA +PJ109833 SPNDEEER C37H58N12O19 974.3942 NA PeJP NA NA +PJ109834 SSSNMMRY C38H62N12O14S2 974.395 NA PeJP NA NA +PJ109835 GGGGGGGPPTMM C38H62N12O14S2 974.3951 NA PeJP NA NA +PJ109836 SSNQEHHH C38H54N16O15 974.3955 NA PeJP NA NA +PJ109837 GSPPDMWW C46H58N10O12S 974.3957 NA PeJP NA NA +PJ109838 GCCKMMFR C39H66N12O9S4 974.3959 NA PeJP NA NA +PJ109839 CCDHRRW C39H58N16O10S2 974.3964 NA PeJP NA NA +PJ109840 GSSSSTTYW C42H58N10O17 974.3982 NA PeJP NA NA +PJ109841 SSCDDHRR C35H58N16O15S 974.3989 NA PeJP NA NA +PJ109842 GSTCKMYW C43H62N10O12S2 974.399 NA PeJP NA NA +PJ109843 GPPQEMMW C43H62N10O12S2 974.3991 NA PeJP NA NA +PJ109844 NNNNQWW C43H54N14O13 974.3995 NA PeJP NA NA +PJ109845 GGGGGGGGGAWW C43H54N14O13 974.3996 NA PeJP NA NA +PJ109846 PPCFYYW C51H58N8O10S 974.3997 NA PeJP NA NA +PJ109847 GCMHRWW C44H58N14O8S2 974.4004 NA PeJP NA NA +PJ109848 GSSSSKEMY C39H62N10O17S 974.4015 NA PeJP NA NA +PJ109849 STLEEEMH C39H62N10O17S 974.4016 NA PeJP NA NA +PJ109850 SVEEYYW C47H58N8O15 974.4022 NA PeJP NA NA +PJ109851 GSQKMMMY C40H66N10O12S3 974.4024 NA PeJP NA NA +PJ109852 GSSDMHRW C40H58N14O13S 974.4029 NA PeJP NA NA +PJ109853 PCLMYYW C48H62N8O10S2 974.4031 NA PeJP NA NA +PJ109854 SSSHWWW C48H54N12O11 974.4035 NA PeJP NA NA +PJ109855 GGGEHFWW C48H54N12O11 974.4036 NA PeJP NA NA +PJ109856 APCHHHHH C41H54N18O9S 974.4042 NA PeJP NA NA +PJ109857 SPDDDDRR C36H58N14O18 974.4054 NA PeJP NA NA +PJ109858 LQEEMYY C44H62N8O15S 974.4056 NA PeJP NA NA +PJ109859 SSTCCRRY C37H62N14O13S2 974.4063 NA PeJP NA NA +PJ109860 TLMMMYW C45H66N8O10S3 974.4064 NA PeJP NA NA +PJ109861 STQMHWW C45H58N12O11S 974.4069 NA PeJP NA NA +MJ098994 Dotriacolide; 3,4-Dihydro C40H78O18S4 974.407098 NA MeJP NA NA +MJ098995 Izumenolide; 2,3,38,39-Tetrahydro, 39-sulfooxy C40H78O18S4 974.407098 NA MeJP NA NA +PJ109862 PDWWWW C53H54N10O9 974.4076 NA PeJP NA NA +PJ109863 PTLEEEEE C40H62N8O20 974.4081 NA PeJP NA NA +PJ109864 STTLEMMY C41H66N8O15S2 974.4089 NA PeJP NA NA +PJ109865 PPLEEEMM C41H66N8O15S2 974.409 NA PeJP NA NA +PJ109866 GSPDEERW C41H58N12O16 974.4094 NA PeJP NA NA +PJ109867 GVLMMMMY C42H70N8O10S4 974.4098 NA PeJP NA NA +PJ109868 GPPCEMRW C42H62N12O11S2 974.4103 NA PeJP NA NA +PJ109869 GSSQHHHW C42H54N16O12 974.4108 NA PeJP NA NA +PJ109870 PPTCWWW C50H58N10O9S 974.4109 NA PeJP NA NA +PJ109871 GSSSSTMRY C38H62N12O16S 974.4128 NA PeJP NA NA +PJ109872 PTQEEWW C46H58N10O14 974.4134 NA PeJP NA NA +PJ109873 GGGGGTEFFF C46H58N10O14 974.4135 NA PeJP NA NA +PJ109874 GSCKMMRY C39H66N12O11S3 974.4137 NA PeJP NA NA +PJ109875 GCNNQHFR C39H58N16O12S 974.4141 NA PeJP NA NA +PJ109876 GGGGGGACHFR C39H58N16O12S 974.4142 NA PeJP NA NA +PJ109877 PPQMMWW C47H62N10O9S2 974.4143 NA PeJP NA NA +PJ109878 PDHHHFW C47H54N14O10 974.4148 NA PeJP NA NA +PJ109879 GNNDDERR C35H58N16O17 974.4166 NA PeJP NA NA +PJ109880 GGGGGDDERR C35H58N16O17 974.4167 NA PeJP NA NA +PJ109881 SSSSKMYW C43H62N10O14S 974.4168 NA PeJP NA NA +PJ109882 SPPYYYW C51H58N8O12 974.4174 NA PeJP NA NA +PJ109883 APEFYYW C51H58N8O12 974.4175 NA PeJP NA NA +PJ109884 PMMMFRY C44H66N10O9S3 974.4177 NA PeJP NA NA +PJ109885 STCHRWW C44H58N14O10S 974.4181 NA PeJP NA NA +PJ109886 GGPCNRWW C44H58N14O10S 974.4182 NA PeJP NA NA +PJ109887 NHFWWW C52H54N12O8 974.4188 NA PeJP NA NA +PJ109888 SSSSSTKEY C39H62N10O19 974.4193 NA PeJP NA NA +PJ109889 SSTQKMMY C40H66N10O14S2 974.4202 NA PeJP NA NA +PJ109890 SSSSEHRW C40H58N14O15 974.4206 NA PeJP NA NA +PJ109891 GGNQEERW C40H58N14O15 974.4207 NA PeJP NA NA +PJ109892 ALEMYYW C48H62N8O12S 974.4208 NA PeJP NA NA +PJ109893 LMMMMRY C41H70N10O9S4 974.421 NA PeJP NA NA +PJ109894 GCKKMMMF C41H70N10O9S4 974.4211 NA PeJP NA NA +PJ109895 SQMMHRW C41H62N14O10S2 974.4215 NA PeJP NA NA +PJ109896 AAEHHHHH C41H54N18O11 974.422 NA PeJP NA NA +PJ109897 AMHHFFW C49H58N12O8S 974.4222 NA PeJP NA NA +PJ109898 GTTLEEYY C44H62N8O17 974.4233 NA PeJP NA NA +PJ109899 GPDDEMRR C37H62N14O15S 974.424 NA PeJP NA NA +PJ109900 GGGGGGGGGSPKM C37H62N14O15S 974.4241 NA PeJP NA NA +PJ109901 GPTLMMYY C45H66N8O12S2 974.4242 NA PeJP NA NA +PJ109902 SPDERWW C45H58N12O13 974.4247 NA PeJP NA NA +PJ109903 AAQMMMHR C38H66N14O10S3 974.4249 NA PeJP NA NA +PJ109904 GSNMHHHR C38H58N18O11S 974.4254 NA PeJP NA NA +PJ109905 PPCMRWW C46H62N12O8S2 974.4255 NA PeJP NA NA +PJ109906 NHHHHFF C46H54N16O9 974.426 NA PeJP NA NA +PJ109907 PVLEEEEM C41H66N8O17S 974.4267 NA PeJP NA NA +PJ109908 SSLLMMMY C42H70N8O12S3 974.4276 NA PeJP NA NA +PJ109909 PQEEMRW C42H62N12O13S 974.428 NA PeJP NA NA +PJ109910 GAPEEMRW C42H62N12O13S 974.4281 NA PeJP NA NA +PJ109911 APTEWWW C50H58N10O11 974.4287 NA PeJP NA NA +PJ109912 CQKHHHW C43H58N16O9S 974.4294 NA PeJP NA NA +PJ109913 SSSSSTTRY C38H62N12O18 974.4305 NA PeJP NA NA +PJ109914 GVQEEEER C38H62N12O18 974.4306 NA PeJP NA NA +PJ109915 SSTCKMRY C39H66N12O13S2 974.4314 NA PeJP NA NA +PJ109916 NNDDRRW C39H58N16O14 974.4319 NA PeJP NA NA +PJ109917 ANKMYYW C47H62N10O11S 974.432 NA PeJP NA NA +PJ109918 PVQEMWW C47H62N10O11S 974.4321 NA PeJP NA NA +PJ109919 SCMHRRW C40H62N16O9S2 974.4328 NA PeJP NA NA +PJ109920 DHHHHHR C40H54N20O10 974.4332 NA PeJP NA NA +PJ109921 SSSLQQYY C43H62N10O16 974.4345 NA PeJP NA NA +PJ109922 GPTKEEEW C43H62N10O16 974.4346 NA PeJP NA NA +PJ109923 GNNQQQMR C36H62N16O14S 974.4352 NA PeJP NA NA +PJ109924 SSSDMHRR C36H62N16O14S 974.4353 NA PeJP NA NA +PJ109925 GPPKEMMW C44H66N10O11S2 974.4354 NA PeJP NA NA +PJ109926 GGAAPPPMMF C44H66N10O11S2 974.4355 NA PeJP NA NA +PJ109927 GNQERWW C44H58N14O12 974.4359 NA PeJP NA NA +PJ109928 PCLFFYW C52H62N8O9S 974.4361 NA PeJP NA NA +PJ109929 GSSTTTKMY C40H66N10O16S 974.4379 NA PeJP NA NA +PJ109930 AAAASPVEEM C40H66N10O16S 974.438 NA PeJP NA NA +PJ109931 TTLEYYW C48H62N8O14 974.4386 NA PeJP NA NA +PJ109932 GSKKMMMY C41H70N10O11S3 974.4388 NA PeJP NA NA +PJ109933 PDDMRRW C41H62N14O12S 974.4393 NA PeJP NA NA +PJ109934 VVMMFYW C49H66N8O9S2 974.4395 NA PeJP NA NA +PJ109935 AAQQWWW C49H58N12O10 974.4399 NA PeJP NA NA +PJ109936 QEEEERR C37H62N14O17 974.4418 NA PeJP NA NA +PJ109937 LKEEMYY C45H66N8O14S 974.4419 NA PeJP NA NA +PJ109938 GSLLEMYY C45H66N8O14S 974.442 NA PeJP NA NA +PJ109939 ATTQMMHR C38H66N14O12S2 974.4426 NA PeJP NA NA +PJ109940 SPPCEMRR C38H66N14O12S2 974.4427 NA PeJP NA NA +PJ109941 GVLMMMFF C46H70N8O9S3 974.4428 NA PeJP NA NA +PJ109942 SSSQHHHR C38H58N18O13 974.4431 NA PeJP NA NA +PJ109943 APEMRWW C46H62N12O10S 974.4433 NA PeJP NA NA +PJ109944 GPPFWWW C54H58N10O8 974.444 NA PeJP NA NA +PJ109945 VVLEEEEE C41H66N8O19 974.4445 NA PeJP NA NA +PJ109946 VQEEERW C42H62N12O15 974.4458 NA PeJP NA NA +PJ109947 GNNNNMRR C35H62N18O13S 974.4465 NA PeJP NA NA +PJ109948 GPPTMMRW C43H66N12O10S2 974.4467 NA PeJP NA NA +PJ109949 PNEHHRW C43H58N16O11 974.4471 NA PeJP NA NA +PJ109950 GGPEHHRW C43H58N16O11 974.4472 NA PeJP NA NA +PJ109951 GPLMWWW C51H62N10O8S 974.4473 NA PeJP NA NA +PJ109952 GPKEEEMR C39H66N12O15S 974.4492 NA PeJP NA NA +PJ109953 PTKEEWW C47H62N10O13 974.4498 NA PeJP NA NA +PJ109954 PPVNMMMR C40H70N12O10S3 974.45 NA PeJP NA NA +PJ109955 GGPPVMMMR C40H70N12O10S3 974.4501 NA PeJP NA NA +PJ109956 GSPCNRRW C40H62N16O11S 974.4505 NA PeJP NA NA +PJ109957 PPKMMWW C48H66N10O8S2 974.4507 NA PeJP NA NA +PJ109958 NQRWWW C48H58N14O9 974.4512 NA PeJP NA NA +PJ109959 DDEERRR C36H62N16O16 974.453 NA PeJP NA NA +PJ109960 GPVKEEMW C44H66N10O13S 974.4532 NA PeJP NA NA +PJ109961 APLYYYW C52H62N8O11 974.4538 NA PeJP NA NA +PJ109962 GSTMMHRR C37H66N16O11S2 974.4539 NA PeJP NA NA +PJ109963 LMMMFFR C45H70N10O8S3 974.4541 NA PeJP NA NA +PJ109964 AQMHFRW C45H62N14O9S 974.4545 NA PeJP NA NA +PJ109965 SSSTTTTKY C40H66N10O18 974.4557 NA PeJP NA NA +PJ109966 SSTKKMMY C41H70N10O13S2 974.4566 NA PeJP NA NA +PJ109967 AEEERRW C41H62N14O14 974.457 NA PeJP NA NA +PJ109968 GGGGGSLERW C41H62N14O14 974.4571 NA PeJP NA NA +PJ109969 SLLMYYW C49H66N8O11S 974.4572 NA PeJP NA NA +PJ109970 SKMMHRW C42H66N14O9S2 974.4579 NA PeJP NA NA +PJ109971 NQHHHFR C42H58N18O10 974.4584 NA PeJP NA NA +PJ109972 SSTLLEYY C45H66N8O16 974.4597 NA PeJP NA NA +PJ109973 GPTEEMRR C38H66N14O14S 974.4604 NA PeJP NA NA +PJ109974 AALLMMYY C46H70N8O11S2 974.4606 NA PeJP NA NA +PJ109975 PTTERWW C46H62N12O12 974.461 NA PeJP NA NA +PJ109976 GLEERWW C46H62N12O12 974.4611 NA PeJP NA NA +PJ109977 GPPMMMRR C39H70N14O9S3 974.4613 NA PeJP NA NA +PJ109978 GTCKHHHR C39H62N18O10S 974.4618 NA PeJP NA NA +PJ109979 GPHHRWW C47H58N16O8 974.4624 NA PeJP NA NA +PJ109980 SSNNNQRR C35H62N18O15 974.4642 NA PeJP NA NA +PJ109981 GSNDDRRR C35H62N18O15 974.4643 NA PeJP NA NA +PJ109982 PKEEMRW C43H66N12O12S 974.4644 NA PeJP NA NA +PJ109983 GGGGGGALLMW C43H66N12O12S 974.4645 NA PeJP NA NA +PJ109984 GVLEWWW C51H62N10O10 974.4651 NA PeJP NA NA +PJ109985 ACHFRRW C44H62N16O8S 974.4658 NA PeJP NA NA +PJ109986 GVKEEEER C39H66N12O17 974.4669 NA PeJP NA NA +PJ109987 GGGAAKKEEE C39H66N12O17 974.467 NA PeJP NA NA +PJ109988 SPPKEMMR C40H70N12O12S2 974.4678 NA PeJP NA NA +PJ109989 SNQERRW C40H62N16O13 974.4683 NA PeJP NA NA +PJ109990 GSPVLMWW C48H66N10O10S 974.4684 NA PeJP NA NA +PJ109991 PVKEMWW C48H66N10O10S 974.4685 NA PeJP NA NA +PJ109992 SSPLKEEW C44H66N10O15 974.4709 NA PeJP NA NA +PJ109993 AALKEEEW C44H66N10O15 974.471 NA PeJP NA NA +PJ109994 SSTTMHRR C37H66N16O13S 974.4716 NA PeJP NA NA +PJ109995 GGAAQEMRR C37H66N16O13S 974.4717 NA PeJP NA NA +PJ109996 SPPVKMMW C45H70N10O10S2 974.4718 NA PeJP NA NA +MJ098996 2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranosyl-(1?4)-?-D-glucopyranoside] C47H74O21 974.472259 NA MeJP NA NA +PJ109997 GNKERWW C45H62N14O11 974.4723 NA PeJP NA NA +PJ109998 VVMFFFW C53H66N8O8S 974.4725 NA PeJP NA NA +PJ109999 PVDKKEEM C41H70N10O15S 974.4743 NA PeJP NA NA +PJ110000 PLKEYYY C49H66N8O13 974.475 NA PeJP NA NA +PJ110001 SLLLMMMH C42H74N10O10S3 974.4752 NA PeJP NA NA +PJ110002 VQQQMRW C42H66N14O11S 974.4756 NA PeJP NA NA +PJ110003 PTEMRRW C42H66N14O11S 974.4757 NA PeJP NA NA +PJ110004 LERWWW C50H62N12O9 974.4763 NA PeJP NA NA +PJ110005 SSSPVTNQR C38H66N14O16 974.4781 NA PeJP NA NA +PJ110006 KEEEERR C38H66N14O16 974.4782 NA PeJP NA NA +PJ110007 ATTLLMYY C46H70N8O13S 974.4783 NA PeJP NA NA +PJ110008 PPLLEEMF C46H70N8O13S 974.4784 NA PeJP NA NA +PJ110009 GPVEMMRR C39H70N14O11S2 974.479 NA PeJP NA NA +PJ110010 GGGAAPKMMR C39H70N14O11S2 974.4791 NA PeJP NA NA +PJ110011 GSPEHHRR C39H62N18O12 974.4795 NA PeJP NA NA +PJ110012 SPLMRWW C47H66N12O9S 974.4797 NA PeJP NA NA +PJ110013 VLWWWW C55H62N10O7 974.4803 NA PeJP NA NA +PJ110014 TLLLEEEE C42H70N8O18 974.4809 NA PeJP NA NA +PJ110015 PLLLEEMM C43H74N8O13S2 974.4817 NA PeJP NA NA +PJ110016 VKEEERW C43H66N12O14 974.4822 NA PeJP NA NA +PJ110017 NNEMRRR C36H66N18O12S 974.4829 NA PeJP NA NA +PJ110018 AAPLMMRW C44H70N12O9S2 974.4831 NA PeJP NA NA +PJ110019 GSQRRWW C44H62N16O10 974.4835 NA PeJP NA NA +PJ110020 APPTTTTMR C40H70N12O14S 974.4855 NA PeJP NA NA +PJ110021 SPVKEEMR C40H70N12O14S 974.4856 NA PeJP NA NA +PJ110022 VVKEEWW C48H66N10O12 974.4862 NA PeJP NA NA +PJ110023 PPCLKMMR C41H74N12O9S3 974.4864 NA PeJP NA NA +PJ110024 AQQMRRW C41H66N16O10S 974.4869 NA PeJP NA NA +PJ110025 NKRWWW C49H62N14O8 974.4875 NA PeJP NA NA +MJ098997 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 12-Benzoyl, 11-Ac, 3-O-[3-O-methyl-6-deoxy-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C51H74O18 974.487515 NA MeJP NA NA +PJ110026 GGKRWWW C49H62N14O8 974.4876 NA PeJP NA NA +PJ110027 TEEERRR C37H66N16O15 974.4894 NA PeJP NA NA +PJ110028 APTLKEMW C45H70N10O12S 974.4896 NA PeJP NA NA +PJ110029 ALLFYYW C53H66N8O10 974.4902 NA PeJP NA NA +PJ110030 PEMMRRR C38H70N16O10S2 974.4903 NA PeJP NA NA +PJ110031 NQQHHRR C38H62N20O11 974.4907 NA PeJP NA NA +PJ110032 GGGAQHHRR C38H62N20O11 974.4908 NA PeJP NA NA +PJ110033 AKMHFRW C46H66N14O8S 974.4909 NA PeJP NA NA +PJ110034 ALKKEEEE C41H70N10O17 974.4921 NA PeJP NA NA +PJ110035 ASPVLLNMM C42H74N10O12S2 974.4929 NA PeJP NA NA +PJ110036 PVLQKEMM C42H74N10O12S2 974.493 NA PeJP NA NA +PJ110037 SLEERRW C42H66N14O13 974.4934 NA PeJP NA NA +PJ110038 GGGGGGGGPKKF C42H66N14O13 974.4935 NA PeJP NA NA +PJ110039 AALLMFFY C50H70N8O10S 974.4936 NA PeJP NA NA +PJ110040 CNDRRRR C35H66N20O11S 974.4941 NA PeJP NA NA +PJ110041 PVMMRRW C43H70N14O8S2 974.4943 NA PeJP NA NA +PJ110042 SPHHRRW C43H62N18O9 974.4948 NA PeJP NA NA +PJ110043 TTTTLLYY C46H70N8O15 974.4961 NA PeJP NA NA +PJ110044 AALEEMRR C39H70N14O13S 974.4968 NA PeJP NA NA +PJ110045 SVLERWW C47H66N12O11 974.4974 NA PeJP NA NA +PJ110046 GAAKKEWW C47H66N12O11 974.4975 NA PeJP NA NA +PJ110047 GNMRRRW C40H66N18O9S 974.4981 NA PeJP NA NA +PJ110048 VLLLEEEM C43H74N8O15S 974.4995 NA PeJP NA NA +PJ110049 GSSQERRR C36H66N18O14 974.5006 NA PeJP NA NA +PJ110050 GGGGGGSSKRR C36H66N18O14 974.5007 NA PeJP NA NA +PJ110051 LLQEMRW C44H70N12O11S 974.5008 NA PeJP NA NA +PJ110052 ATLLWWW C52H66N10O9 974.5015 NA PeJP NA NA +PJ110053 ATLKEEER C40H70N12O16 974.5033 NA PeJP NA NA +PJ110054 APLKEMMR C41H74N12O11S2 974.5042 NA PeJP NA NA +PJ110055 SNKERRW C41H66N16O12 974.5046 NA PeJP NA NA +PJ110056 GGSKERRW C41H66N16O12 974.5047 NA PeJP NA NA +PJ110057 VLLQMWW C49H70N10O9S 974.5048 NA PeJP NA NA +PJ110058 GTLLKEEW C45H70N10O14 974.5073 NA PeJP NA NA +PJ110059 GGGGPLLLEY C45H70N10O14 974.5074 NA PeJP NA NA +PJ110060 VEEMRRR C38H70N16O12S 974.508 NA PeJP NA NA +PJ110061 GGGGGGAKKMR C38H70N16O12S 974.5081 NA PeJP NA NA +PJ110062 GPLLKMMW C46H74N10O9S2 974.5082 NA PeJP NA NA +MJ098998 12-Oleanene-3,16,22,28-tetrol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-L-glucopyranoside C48H78O20 974.508644 NA MeJP NA NA +MJ098999 12-Oleanene-3,21,22,24,29-pentol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H78O20 974.508644 NA MeJP NA NA +MJ099000 12-Oleanene-3,21,22,24,29-pentol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H78O20 974.508644 NA MeJP NA NA +MJ099001 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester C48H78O20 974.508644 NA MeJP NA NA +MJ099002 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C48H78O20 974.508644 NA MeJP NA NA +MJ099003 2,3,24-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester C48H78O20 974.508644 NA MeJP NA NA +MJ099004 2,3,6,23-Tetrahydroxy-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H78O20 974.508644 NA MeJP NA NA +MJ099005 3,11,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C48H78O20 974.508644 NA MeJP NA NA +MJ099006 Furost-5-ene-1,3,22,26-tetrol, 22-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-galactopyranoside], 26-O-?-D-glucopyranoside C48H78O20 974.508644 NA MeJP NA NA +PJ110063 GDKKRWW C46H66N14O10 974.5087 NA PeJP NA NA +PJ110064 PTLKKEEM C42H74N10O14S 974.5107 NA PeJP NA NA +PJ110065 LLLQYYY C50H70N8O12 974.5113 NA PeJP NA NA +PJ110066 GALLLYYY C50H70N8O12 974.5114 NA PeJP NA NA +PJ110067 PPLKKMMM C43H78N10O9S3 974.5116 NA PeJP NA NA +PJ110068 VVEMRRW C43H70N14O10S 974.512 NA PeJP NA NA +PJ110069 CLLERRW C43H70N14O10S 974.5121 NA PeJP NA NA +PJ110070 AAKKWWW C51H66N12O8 974.5127 NA PeJP NA NA +PJ110071 SSVLEERR C39H70N14O15 974.5145 NA PeJP NA NA +PJ110072 ATTLEERR C39H70N14O15 974.5146 NA PeJP NA NA +PJ110073 PPLLLEMY C47H74N8O12S 974.5147 NA PeJP NA NA +PJ110074 APTLMMRR C40H74N14O10S2 974.5154 NA PeJP NA NA +PJ110075 SSQRRRW C40H66N18O11 974.5159 NA PeJP NA NA +PJ110076 ALLMRWW C48H70N12O8S 974.5161 NA PeJP NA NA +PJ110077 GTTLLERW C44H70N12O13 974.5186 NA PeJP NA NA +PJ110078 NDKMRRR C37H70N18O11S 974.5193 NA PeJP NA NA +PJ110079 GSKRRWW C45H66N16O9 974.5199 NA PeJP NA NA +PJ110080 VVVDKEMR C41H74N12O13S 974.5219 NA PeJP NA NA +PJ110081 GLLKEEMR C41H74N12O13S 974.522 NA PeJP NA NA +PJ110082 TLLKEWW C49H70N10O11 974.5226 NA PeJP NA NA +PJ110083 AQKMRRW C42H70N16O9S 974.5233 NA PeJP NA NA +PJ110084 GSDKKERR C38H70N16O14 974.5258 NA PeJP NA NA +PJ110085 GVLLKEMW C46H74N10O11S 974.526 NA PeJP NA NA +PJ110086 AALLFFFF C54H70N8O9 974.5266 NA PeJP NA NA +PJ110087 GPCKKMRR C39H74N16O9S2 974.5267 NA PeJP NA NA +PJ110088 VDHHRRR C39H66N20O10 974.5271 NA PeJP NA NA +PJ110089 SLLKKEEE C42H74N10O16 974.5285 NA PeJP NA NA +PJ110090 PVLKKEMM C43H78N10O11S2 974.5293 NA PeJP NA NA +PJ110091 GGGALLLLMM C43H78N10O11S2 974.5294 NA PeJP NA NA +PJ110092 TQKKERW C43H70N14O12 974.5298 NA PeJP NA NA +PJ110093 SNMRRRR C36H70N20O10S 974.5305 NA PeJP NA NA +PJ110094 ALHHRRW C44H66N18O8 974.5312 NA PeJP NA NA +PJ110095 PVLLLEEY C47H74N8O14 974.5325 NA PeJP NA NA +PJ110096 GTLLEMRR C40H74N14O12S 974.5332 NA PeJP NA NA +PJ110097 TTLLRWW C48H70N12O10 974.5338 NA PeJP NA NA +PJ110098 ACKRRRW C41H70N18O8S 974.5345 NA PeJP NA NA +PJ110099 GSSKERRR C37H70N18O13 974.537 NA PeJP NA NA +PJ110100 LLKEMRW C45H74N12O10S 974.5372 NA PeJP NA NA +PJ110101 PVLKFWW C53H70N10O8 974.5379 NA PeJP NA NA +PJ110102 STLLKEER C41H74N12O15 974.5397 NA PeJP NA NA +PJ110103 SPLLKMMR C42H78N12O10S2 974.5406 NA PeJP NA NA +PJ110104 SDKKRRW C42H70N16O11 974.541 NA PeJP NA NA +PJ110105 GGAAPKRRY C42H70N16O11 974.5411 NA PeJP NA NA +PJ110106 VLLKMWW C50H74N10O8S 974.5412 NA PeJP NA NA +PJ110107 SSLLLKEW C46H74N10O13 974.5437 NA PeJP NA NA +PJ110108 QKKEMRR C39H74N16O11S 974.5444 NA PeJP NA NA +MJ099007 12-Oleanene-3,11,16,23,28-pentol, 11-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] C49H82O19 974.54503 NA MeJP NA NA +MJ099008 Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H82O19 974.54503 NA MeJP NA NA +PJ110109 ATKKRWW C47H70N14O9 974.5451 NA PeJP NA NA +PJ110110 VVLKKEEM C43H78N10O13S 974.5471 NA PeJP NA NA +PJ110111 LLLKYYY C51H74N8O11 974.5477 NA PeJP NA NA +PJ110112 PPLLLEFF C51H74N8O11 974.5478 NA PeJP NA NA +PJ110113 GSSTRRRR C36H70N20O12 974.5483 NA PeJP NA NA +PJ110114 TLLMRRW C44H74N14O9S 974.5484 NA PeJP NA NA +PJ110115 STTLLERR C40H74N14O14 974.5509 NA PeJP NA NA +PJ110116 GGGGSKKKKE C40H74N14O14 974.551 NA PeJP NA NA +PJ110117 PLLLLEMF C48H78N8O11S 974.5511 NA PeJP NA NA +PJ110118 GVLLMMRR C41H78N14O9S2 974.5518 NA PeJP NA NA +PJ110119 SSKRRRW C41H70N18O10 974.5523 NA PeJP NA NA +PJ110120 LLLLLEMM C45H82N8O11S2 974.5545 NA PeJP NA NA +PJ110121 SPPQKKKY C45H74N12O12 974.5549 NA PeJP NA NA +PJ110122 SSTLLLRW C45H74N12O12 974.555 NA PeJP NA NA +PJ110123 TQKMRRR C38H74N18O10S 974.5556 NA PeJP NA NA +PJ110124 GATKMRRR C38H74N18O10S 974.5557 NA PeJP NA NA +PJ110125 VLKHHRW C46H70N16O8 974.5563 NA PeJP NA NA +PJ110126 SVLLKEMR C42H78N12O12S 974.5583 NA PeJP NA NA +PJ110127 GPVLLKYW C50H74N10O10 974.559 NA PeJP NA NA +PJ110128 AKKMRRW C43H74N16O8S 974.5597 NA PeJP NA NA +PJ110129 GTTKKERR C39H74N16O13 974.5622 NA PeJP NA NA +PJ110130 ATLLLKMW C47H78N10O10S 974.5624 NA PeJP NA NA +PJ110131 LLMMRRR C40H78N16O8S2 974.563 NA PeJP NA NA +PJ110132 GQFRRRR C40H70N20O9 974.5635 NA PeJP NA NA +PJ110133 GTTTLLLKE C43H78N10O15 974.5648 NA PeJP NA NA +PJ110134 ASTTIILKE C43H78N10O15 974.5649 NA PeJP NA NA +PJ110135 VLLLQKMM C44H82N10O10S2 974.5657 NA PeJP NA NA +PJ110136 TKKKERW C44H74N14O11 974.5662 NA PeJP NA NA +PJ110137 TCKRRRR C37H74N20O9S 974.5669 NA PeJP NA NA +PJ110138 VLLLLEEF C48H78N8O13 974.5689 NA PeJP NA NA +PJ110139 SSLLLMRR C41H78N14O11S 974.5696 NA PeJP NA NA +PJ110140 SLKKKWW C49H74N12O9 974.5702 NA PeJP NA NA +PJ110141 GTTTKRRR C38H74N18O12 974.5734 NA PeJP NA NA +PJ110142 AALKKKMW C46H78N12O9S 974.5736 NA PeJP NA NA +PJ110143 SSSSLLLLR C42H78N12O14 974.5761 NA PeJP NA NA +PJ110144 ALLLKMMR C43H82N12O9S2 974.577 NA PeJP NA NA +PJ110145 TTKKRRW C43H74N16O10 974.5774 NA PeJP NA NA +PJ110146 TTTLLLKW C47H78N10O12 974.5801 NA PeJP NA NA +PJ110147 KKKEMRR C40H78N16O10S 974.5808 NA PeJP NA NA +PJ110148 VVLFRRW C48H74N14O8 974.5814 NA PeJP NA NA +PJ110149 TLLLKKEM C44H82N10O12S 974.5835 NA PeJP NA NA +PJ110150 PPLLLLFY C52H78N8O10 974.5841 NA PeJP NA NA +PJ110151 VKKKMRW C45H78N14O8S 974.5848 NA PeJP NA NA +PJ110152 SSLKKKER C41H78N14O13 974.5873 NA PeJP NA NA +PJ110153 PLLLLLMY C49H82N8O10S 974.5875 NA PeJP NA NA +PJ110154 VNKFRRR C42H74N18O9 974.5887 NA PeJP NA NA +PJ110155 ATTLKKKW C46H78N12O11 974.5913 NA PeJP NA NA +PJ110156 AAAVVLLRY C46H78N12O11 974.5914 NA PeJP NA NA +PJ110157 TKKMRRR C39H78N18O9S 974.592 NA PeJP NA NA +C11988 Megalomicin C2 C49H86N2O17 974.5926 NA KEGG NA NA +MJ099009 Megalomicin A; 3A-Ac, 4A-propanoyl C49H86N2O17 974.592649 NA MeJP NA NA +PJ110158 TTLLLKMR C43H82N12O11S 974.5947 NA PeJP NA NA +PJ110159 GVLLLKFW C51H78N10O9 974.5954 NA PeJP NA NA +PJ110160 SSTLKKRR C40H78N16O12 974.5986 NA PeJP NA NA +PJ110161 PVLLKKMF C48H82N10O9S 974.5987 NA PeJP NA NA +PJ110162 GKFRRRR C41H74N20O8 974.5999 NA PeJP NA NA +PJ110163 SSTTLLLLK C44H82N10O14 974.6012 NA PeJP NA NA +PJ110164 VLLLKKMM C45H86N10O9S2 974.6021 NA PeJP NA NA +PJ110165 AALLLRRY C45H78N14O10 974.6026 NA PeJP NA NA +PJ110166 VLLLLLEY C49H82N8O12 974.6053 NA PeJP NA NA +PJ110167 SVVKKKMR C42H82N14O10S 974.6059 NA PeJP NA NA +PJ110168 ATLKKKMR C42H82N14O10S 974.606 NA PeJP NA NA +PJ110169 LLLKFRW C50H78N12O8 974.6066 NA PeJP NA NA +PJ110170 TTLKKKKE C43H82N12O13 974.6125 NA PeJP NA NA +PJ110171 VLLRRRY C44H78N16O9 974.6138 NA PeJP NA NA +PJ110172 PTLLLKKY C48H82N10O11 974.6165 NA PeJP NA NA +PJ110173 GCKKKKKR C41H82N16O9S 974.6172 NA PeJP NA NA +PJ110174 PLLLLLFF C53H82N8O9 974.6205 NA PeJP NA NA +PJ110175 TTTLKKKR C42H82N14O12 974.6237 NA PeJP NA NA +PJ110176 LLLLLLMF C50H86N8O9S 974.6239 NA PeJP NA NA +PJ110177 GLLLLKRY C47H82N12O10 974.6277 NA PeJP NA NA +PJ110178 SLLKKKKM C44H86N12O10S 974.6311 NA PeJP NA NA +PJ110179 GVLKKKFR C46H82N14O9 974.639 NA PeJP NA NA +PJ110180 GKKKKKKM C43H86N14O9S 974.6423 NA PeJP NA NA +PJ110181 LKKKFRR C45H82N16O8 974.6502 NA PeJP NA NA +PJ110182 VVLLLKKY C49H86N10O10 974.6529 NA PeJP NA NA +PJ110183 STKKKKKK C43H86N14O11 974.6601 NA PeJP NA NA +PJ110184 ALLKKKKF C48H86N12O9 974.6641 NA PeJP NA NA +MJ099010 Blaberosides; Blaberoside IIb C53H98O15 974.690572 NA MeJP NA NA +HMDB10532 TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] C65H98O6 974.736328 NA HMDB2010 NA NA +HMDB10549 TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C65H98O6 974.736328 NA HMDB2010 NA NA +HMDB10557 TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] C65H98O6 974.736328 NA HMDB2010 NA NA +HMDB05414 TG(20:0/20:0/20:0) C63H122O6 974.92413 http://www.hmdb.ca/metabolites/HMDB05414 HMDB NA NA +HMDB05414 TG(20:0/20:0/20:0) C63H122O6 974.92413 HMDB05414 PFEM_hmdb_metabocards_official NA NA +HMDB05414 TG(20:0/20:0/20:0) C63H122O6 974.924133 NA HMDB2010 NA NA +PJ110185 SCCCCCCDH C31H49N11O13S6 975.1836 NA PeJP NA NA +PJ110186 PCCCCCDDD C32H49N9O16S5 975.1901 NA PeJP NA NA +PJ110187 ACCCCCCMH C32H53N11O10S7 975.2022 NA PeJP NA NA +PJ110188 GCCCDDDDM C32H49N9O18S4 975.2079 NA PeJP NA NA +PJ110189 SCCCCNNDD C31H49N11O17S4 975.2191 NA PeJP NA NA +PJ110190 SSCCCCCMH C32H53N11O12S6 975.22 NA PeJP NA NA +PJ110191 CCCCDDEW C36H49N9O15S4 975.2231 NA PeJP NA NA +PJ110192 SSCCCDDDE C32H49N9O20S3 975.2256 NA PeJP NA NA +PJ110193 SPCCCCDDM C33H53N9O15S5 975.2265 NA PeJP NA NA +PJ110194 GCCCCNNEM C32H53N11O14S5 975.2377 NA PeJP NA NA +PJ110195 GGGCCCCNEM C32H53N11O14S5 975.2378 NA PeJP NA NA +FL7AACGL0087 Cyanidin 3-O-[2''-O-(xylosyl)-6''-O-(p-coumaroyl) glucoside] 5-O-malonylglucoside C44H47O25 975.24064 - knapsack NA NA +PJ110196 GSCCDDDMM C33H53N9O17S4 975.2443 NA PeJP NA NA +PJ110197 GPCCCCEMM C34H57N9O12S6 975.2451 NA PeJP NA NA +PJ110198 GCCCCCNDR C31H53N13O13S5 975.249 NA PeJP NA NA +PJ110199 CCCCNNMW C36H53N11O11S5 975.253 NA PeJP NA NA +PJ110200 SSCCCNNDM C32H53N11O16S4 975.2555 NA PeJP NA NA +PJ110201 PCCCCCCNK C33H57N11O11S6 975.2564 NA PeJP NA NA +PJ110202 CCNDDDEY C36H49N9O19S2 975.2587 NA PeJP NA NA +PJ110203 SCCCDEMW C37H53N9O14S4 975.2595 NA PeJP NA NA +PJ110204 PCCCCMMW C38H57N9O9S6 975.2604 NA PeJP NA NA +PJ110205 SSSCCDDEM C33H53N9O19S3 975.262 NA PeJP NA NA +PJ110206 CCNDEMMM C34H57N9O14S5 975.2629 NA PeJP NA NA +PJ110207 GSCCCDDHH C34H49N13O15S3 975.2634 NA PeJP NA NA +PJ110208 APCCCCCHH C35H53N13O10S5 975.2642 NA PeJP NA NA +PJ110209 GPCCDDDDH C35H49N11O18S2 975.2699 NA PeJP NA NA +PJ110210 GSSCCCCQW C36H53N11O13S4 975.2708 NA PeJP NA NA +PJ110211 GSSSSCCCNE C32H53N11O18S3 975.2733 NA PeJP NA NA +PJ110212 GCCDDDYW C40H49N9O16S2 975.2739 NA PeJP NA NA +PJ110213 CCCDDMMR C33H57N11O13S5 975.2741 NA PeJP NA NA +PJ110214 PCCCCDFW C41H53N9O11S4 975.2748 NA PeJP NA NA +PJ110215 GSSCDDDDY C36H49N9O21S 975.2764 NA PeJP NA NA +PJ110216 GSPCCCDEY C37H53N9O16S3 975.2773 NA PeJP NA NA +PJ110217 GCCDMMMW C38H57N9O11S5 975.2782 NA PeJP NA NA +PJ110218 GSSCDDMMM C34H57N9O16S4 975.2806 NA PeJP NA NA +PJ110219 GSSCCEEMM C34H57N9O16S4 975.2807 NA PeJP NA NA +PJ110220 GPTCCCMMM C35H61N9O11S6 975.2815 NA PeJP NA NA +PJ110221 CCCNEMHH C35H53N13O12S4 975.282 NA PeJP NA NA +PJ110222 GSCCCCNMR C32H57N13O12S5 975.2854 NA PeJP NA NA +PJ110223 CCCCNHFF C40H53N11O10S4 975.286 NA PeJP NA NA +PJ110224 NDDDDDMH C35H49N11O20S 975.2877 NA PeJP NA NA +PJ110225 SSSSCCCNW C36H53N11O15S3 975.2885 NA PeJP NA NA +PJ110226 CCCCCQKW C37H57N11O10S5 975.2894 NA PeJP NA NA +PJ110227 SSSSSSCCND C32H53N11O20S2 975.291 NA PeJP NA NA +PJ110228 SSSCCNNMM C33H57N11O15S4 975.2919 NA PeJP NA NA +PJ110229 SPCCCDYW C41H53N9O13S3 975.2925 NA PeJP NA NA +PJ110230 CCCCDHHR C34H53N15O11S4 975.2932 NA PeJP NA NA +PJ110231 SCNDDEMY C37H53N9O18S2 975.295 NA PeJP NA NA +PJ110232 PPPCCDDDD C37H53N9O18S2 975.2951 NA PeJP NA NA +PJ110233 SSCCEMMW C38H57N9O13S4 975.2959 NA PeJP NA NA +PJ110234 GCCCMHHW C39H53N13O9S4 975.2973 NA PeJP NA NA +C05273 trans-Tetradec-2-enoyl-CoA C35H60N7O17P3S 975.2979 NA KEGG NA NA +C06736 (E)-11-Tetradecenoyl-CoA C35H60N7O17P3S 975.2979 NA KEGG NA NA +C06737 (Z)-11-Tetradecenoyl-CoA C35H60N7O17P3S 975.2979 NA KEGG NA NA +HMDB03946 (2E)-Tetradecenoyl-CoA C35H60N7O17P3S 975.29791 http://www.hmdb.ca/metabolites/HMDB03946 HMDB NA NA +HMDB03946 (2E)-Tetradecenoyl-CoA C35H60N7O17P3S 975.29791 HMDB03946 PFEM_hmdb_metabocards_official NA NA +HMDB03946 (2E)-Tetradecenoyl-CoA C35H60N7O17P3S 975.297913 NA HMDB2010 NA NA +MetaCyc04357 (Z)-11-tetradecenoyl-CoA [] C35H60N7O17P3S1 975.297924 NA metacyc NA NA +PJ110235 SSSSCDEMM C34H57N9O18S3 975.2984 NA PeJP NA NA +PJ110236 GSCNNDDDH C34H49N13O19S 975.2989 NA PeJP NA NA +PJ110237 SCNEMMMM C35H61N9O13S5 975.2993 NA PeJP NA NA +PJ110238 ASSCCCEHH C35H53N13O14S3 975.2997 NA PeJP NA NA +PJ110239 GSSCCDMHH C35H53N13O14S3 975.2998 NA PeJP NA NA +PJ110240 CCMMYYY C43H57N7O11S4 975.2999 NA PeJP NA NA +PJ110241 GCDDDEHW C39H49N11O17S 975.3029 NA PeJP NA NA +PJ110242 SSSCCCCQR C32H57N13O14S4 975.3031 NA PeJP NA NA +PJ110243 GCCCNQYW C40H53N11O12S3 975.3038 NA PeJP NA NA +PJ110244 GSSDDDDEH C35H49N11O22 975.3054 NA PeJP NA NA +PJ110245 SCCDDDRY C36H53N11O17S2 975.3063 NA PeJP NA NA +PJ110246 GSSCCCCKW C37H57N11O12S4 975.3071 NA PeJP NA NA +PJ110247 GGGGCCNMMF C37H57N11O12S4 975.3072 NA PeJP NA NA +PJ110248 CCCEFWW C45H53N9O10S3 975.3078 NA PeJP NA NA +PJ110249 GNDDDDYY C40H49N9O20 975.3094 NA PeJP NA NA +PJ110250 GSSSSSCCQM C33H57N11O17S3 975.3096 NA PeJP NA NA +PJ110251 GSCDDMYW C41H53N9O15S2 975.3103 NA PeJP NA NA +PJ110252 SCCDMMMR C34H61N11O12S5 975.3105 NA PeJP NA NA +PJ110253 APCCCMYW C42H57N9O10S4 975.3112 NA PeJP NA NA +PJ110254 GSSSDDDMY C37H53N9O20S 975.3128 NA PeJP NA NA +PJ110255 GNDDMMMY C38H57N9O15S3 975.3137 NA PeJP NA NA +PJ110256 CCDFYYY C46H53N7O13S2 975.3143 NA PeJP NA NA +PJ110257 GSCMMMMW C39H61N9O10S5 975.3145 NA PeJP NA NA +PJ110258 STCCCHHW C39H53N13O11S3 975.315 NA PeJP NA NA +PJ110259 GSSSDMMMM C35H61N9O15S4 975.317 NA PeJP NA NA +PJ110260 SSSSCCEHH C35H53N13O16S2 975.3175 NA PeJP NA NA +PJ110261 GNMMMMMM C36H65N9O10S6 975.3179 NA PeJP NA NA +PJ110262 CDDDHWW C43H49N11O14S 975.3182 NA PeJP NA NA +PJ110263 CCCCNQFR C36H57N13O11S4 975.3184 NA PeJP NA NA +PJ110264 SSDDDDHW C39H49N11O19 975.3207 NA PeJP NA NA +PJ110265 GSSSSSCCCR C32H57N13O16S3 975.3209 NA PeJP NA NA +PJ110266 SSCCNNYW C40H53N11O14S2 975.3215 NA PeJP NA NA +PJ110267 GGGGGGCCDFF C40H53N11O14S2 975.3216 NA PeJP NA NA +PJ110268 ASCCCCCKR C33H61N13O11S5 975.3217 NA PeJP NA NA +PJ110269 GTCCCCCKR C33H61N13O11S5 975.3218 NA PeJP NA NA +PJ110270 PPCCCMHW C41H57N11O9S4 975.3224 NA PeJP NA NA +PJ110271 SSSSCNNDY C36H53N11O19S 975.324 NA PeJP NA NA +PJ110272 GGGGSPPCDDD C36H53N11O19S 975.3241 NA PeJP NA NA +PJ110273 GCCDEMRY C37H57N11O14S3 975.3249 NA PeJP NA NA +PJ110274 SCCEYWW C45H53N9O12S2 975.3255 NA PeJP NA NA +PJ110275 CCCCCKKW C38H61N11O9S5 975.3258 NA PeJP NA NA +PJ110276 SSSSSSSCNM C33H57N11O19S2 975.3274 NA PeJP NA NA +PJ110277 SSSCDEYW C41H53N9O17S 975.328 NA PeJP NA NA +PJ110278 PPCDDDEW C41H53N9O17S 975.3281 NA PeJP NA NA +PJ110279 SSSCCCQKM C34H61N11O14S4 975.3283 NA PeJP NA NA +PJ110280 CCNNDDHR C34H53N15O15S2 975.3287 NA PeJP NA NA +PJ110281 GGCCNDDHR C34H53N15O15S2 975.3288 NA PeJP NA NA +PJ110282 CNEMMYW C42H57N9O12S3 975.3289 NA PeJP NA NA +PJ110283 ACCMMMMR C35H65N11O9S6 975.3291 NA PeJP NA NA +PJ110284 SCCCMHHR C35H57N15O10S4 975.3296 NA PeJP NA NA +PJ110285 SSSSSDDEY C37H53N9O22 975.3305 NA PeJP NA NA +PJ110286 PNDDEEEE C37H53N9O22 975.3306 NA PeJP NA NA +PJ110287 SSNDEMMY C38H57N9O17S2 975.3314 NA PeJP NA NA +PJ110288 SCDYYYY C46H53N7O15S 975.3321 NA PeJP NA NA +PJ110289 SSTCMMMW C39H61N9O12S4 975.3323 NA PeJP NA NA +PJ110290 GCNNDMHW C39H53N13O13S2 975.3328 NA PeJP NA NA +PJ110291 CCMFFYY C47H57N7O10S3 975.3329 NA PeJP NA NA +PJ110292 DEEEEYY C42H53N7O20 975.3346 NA PeJP NA NA +PJ110293 SSSSSEMMM C35H61N9O17S3 975.3348 NA PeJP NA NA +PJ110294 SCDDDEHR C35H53N13O18S 975.3353 NA PeJP NA NA +PJ110295 SSQMMMMM C36H65N9O12S5 975.3357 NA PeJP NA NA +PJ110296 SCCCNQRY C36H57N13O13S3 975.3361 NA PeJP NA NA +PJ110297 GGGGGPTCCMH C36H57N13O13S3 975.3362 NA PeJP NA NA +PJ110298 GSDDEMHW C40H53N11O16S 975.3393 NA PeJP NA NA +PJ110299 SSSCCCCKR C33H61N13O13S4 975.3395 NA PeJP NA NA +PJ110300 CCDMRYW C41H57N11O11S3 975.3401 NA PeJP NA NA +PJ110301 GCCCNKYW C41H57N11O11S3 975.3402 NA PeJP NA NA +PJ110302 PDDDDDER C36H53N11O21 975.3418 NA PeJP NA NA +PJ110303 GSSSCNQMY C37H57N11O16S2 975.3426 NA PeJP NA NA +PJ110304 SSCDDMRY C37H57N11O16S2 975.3427 NA PeJP NA NA +PJ110305 SNDDDHHH C37H49N15O17 975.3431 NA PeJP NA NA +PJ110306 CNDEFYW C45H53N9O14S 975.3433 NA PeJP NA NA +PJ110307 PTCCCMRY C38H61N11O11S4 975.3435 NA PeJP NA NA +PJ110308 PCCNEHHH C38H53N15O12S2 975.344 NA PeJP NA NA +PJ110309 GCMMYWW C46H57N9O9S3 975.3442 NA PeJP NA NA +PJ110310 GSSSSSSSSTC C33H57N11O21S 975.3451 NA PeJP NA NA +PJ110311 GPDDEEEW C41H53N9O19 975.3458 NA PeJP NA NA +PJ110312 GSSSSSCCKM C34H61N11O16S3 975.346 NA PeJP NA NA +PJ110313 SSSCNNNNH C34H53N15O17S 975.3465 NA PeJP NA NA +PJ110314 GSSDMMYW C42H57N9O14S2 975.3467 NA PeJP NA NA +PJ110315 SSCMMMMR C35H65N11O11S5 975.3469 NA PeJP NA NA +PJ110316 GSPCCCNHR C35H57N15O12S3 975.3474 NA PeJP NA NA +PJ110317 CQMMMFW C43H61N9O9S4 975.3475 NA PeJP NA NA +PJ110318 GACMMMFW C43H61N9O9S4 975.3476 NA PeJP NA NA +PJ110319 CCNQHWW C43H53N13O10S2 975.348 NA PeJP NA NA +PJ110320 GSSSSEEMY C38H57N9O19S 975.3492 NA PeJP NA NA +PJ110321 GSQEMMMY C39H61N9O14S3 975.35 NA PeJP NA NA +PJ110322 GGGTEMMMY C39H61N9O14S3 975.3501 NA PeJP NA NA +PJ110323 SSCNNEHW C39H53N13O15S 975.3505 NA PeJP NA NA +PJ110324 GGGGGGGGPCDW C39H53N13O15S 975.3506 NA PeJP NA NA +PJ110325 ACMYYYY C47H57N7O12S2 975.3507 NA PeJP NA NA +PJ110326 GCNMMHHF C40H57N13O10S3 975.3514 NA PeJP NA NA +PJ110327 SSSSNNDEH C35H53N13O20 975.353 NA PeJP NA NA +PJ110328 GGGGGGGGNEEE C35H53N13O20 975.3531 NA PeJP NA NA +PJ110329 EEEEMFY C43H57N7O17S 975.3532 NA PeJP NA NA +PJ110330 GSSTTMMMM C36H65N9O14S4 975.3534 NA PeJP NA NA +PJ110331 GSSSCCNRY C36H57N13O15S2 975.3539 NA PeJP NA NA +PJ110332 ACKMMMMM C37H69N9O9S6 975.3543 NA PeJP NA NA +PJ110333 SDDMHWW C44H53N11O13S 975.3545 NA PeJP NA NA +PJ110334 GGGGGGCYYW C44H53N11O13S 975.3546 NA PeJP NA NA +PJ110335 CCCCNKFR C37H61N13O10S4 975.3548 NA PeJP NA NA +HMDB02148 5-Methyltetrahydropteroylpentaglutamate C40H53N11O18 975.35699 http://www.hmdb.ca/metabolites/HMDB02148 HMDB NA NA +HMDB02148 5-Methyltetrahydropteroylpentaglutamate C40H53N11O18 975.35699 HMDB02148 PFEM_hmdb_metabocards_official NA NA +HMDB02148 5-Methyltetrahydropteroylpentaglutamate C40H53N11O18 975.356995 NA HMDB2010 NA NA +PJ110336 SSSDEEHW C40H53N11O18 975.357 NA PeJP NA NA +PJ110337 GGSPNDDEW C40H53N11O18 975.3571 NA PeJP NA NA +PJ110338 NEEMMHW C41H57N11O13S2 975.3579 NA PeJP NA NA +PJ110339 GCDFYWW C49H53N9O11S 975.3586 NA PeJP NA NA +PJ110340 CCMMFRW C42H61N11O8S4 975.3588 NA PeJP NA NA +PJ110341 GPCCHHHW C42H53N15O9S2 975.3593 NA PeJP NA NA +PJ110342 SSSSSNNMY C37H57N11O18S 975.3604 NA PeJP NA NA +PJ110343 PDDEEWW C45H53N9O16 975.3611 NA PeJP NA NA +PJ110344 GSCEMMRY C38H61N11O13S3 975.3613 NA PeJP NA NA +PJ110345 CNNNNNHF C38H53N15O14S 975.3617 NA PeJP NA NA +PJ110346 GGCNNNNHF C38H53N15O14S 975.3618 NA PeJP NA NA +PJ110347 STCMYWW C46H57N9O11S2 975.3619 NA PeJP NA NA +PJ110348 ACCCHHFR C39H57N15O9S3 975.3626 NA PeJP NA NA +PJ110349 SSSSSSSSSSS C33H57N11O23 975.3629 NA PeJP NA NA +PJ110350 SSSSSSTCCK C34H61N11O18S2 975.3638 NA PeJP NA NA +PJ110351 GSNNNNNNE C34H53N15O19 975.3642 NA PeJP NA NA +PJ110352 NNNNDDDR C34H53N15O19 975.3643 NA PeJP NA NA +PJ110353 SSSSEMYW C42H57N9O16S 975.3644 NA PeJP NA NA +PJ110354 GPPPCDDEF C42H57N9O16S 975.3645 NA PeJP NA NA +PJ110355 STTCCCCKK C35H65N11O13S4 975.3646 NA PeJP NA NA +PJ110356 SSSCCCKKM C35H65N11O13S4 975.3647 NA PeJP NA NA +PJ110357 SCNNDMHR C35H57N15O14S2 975.3651 NA PeJP NA NA +PJ110358 SQMMMYW C43H61N9O11S3 975.3653 NA PeJP NA NA +PJ110359 GSSCNHWW C43H53N13O12S 975.3658 NA PeJP NA NA +PJ110360 CCFFFFY C51H57N7O9S2 975.366 NA PeJP NA NA +PJ110361 SSSSSTEEY C38H57N9O21 975.3669 NA PeJP NA NA +PJ110362 GAPTDEEEE C38H57N9O21 975.367 NA PeJP NA NA +PJ110363 SSTQEMMY C39H61N9O16S2 975.3678 NA PeJP NA NA +PJ110364 GSSSSNDHW C39H53N13O17 975.3683 NA PeJP NA NA +PJ110365 SSMYYYY C47H57N7O14S 975.3684 NA PeJP NA NA +PJ110366 AAQMMMMY C40H65N9O11S4 975.3687 NA PeJP NA NA +PJ110367 CDEMHRW C40H57N13O12S2 975.3691 NA PeJP NA NA +PJ110368 GGGSNMMHW C40H57N13O12S2 975.3692 NA PeJP NA NA +PJ110369 SSSTTTMMM C36H65N9O16S3 975.3712 NA PeJP NA NA +PJ110370 GSSSNQEMH C36H57N13O17S 975.3716 NA PeJP NA NA +PJ110371 SSDDEMHR C36H57N13O17S 975.3717 NA PeJP NA NA +PJ110372 SSKMMMMM C37H69N9O11S5 975.372 NA PeJP NA NA +PJ110373 GSPNDDWW C44H53N11O15 975.3723 NA PeJP NA NA +PJ110374 SCCCNKRY C37H61N13O12S3 975.3725 NA PeJP NA NA +PJ110375 GCDDHHHR C37H53N17O13S 975.373 NA PeJP NA NA +PJ110376 GEMMHWW C45H57N11O10S2 975.3732 NA PeJP NA NA +PJ110377 GSTEEMHW C41H57N11O15S 975.3757 NA PeJP NA NA +PJ110378 GSDYYWW C49H53N9O13 975.3763 NA PeJP NA NA +PJ110379 SCMMRYW C42H61N11O10S3 975.3765 NA PeJP NA NA +PJ110380 GGPPCMMHF C42H61N11O10S3 975.3766 NA PeJP NA NA +PJ110381 NDMHHHW C42H53N15O11S 975.377 NA PeJP NA NA +PJ110382 GCMFFWW C50H57N9O8S2 975.3772 NA PeJP NA NA +MJ099011 Micropeptin 478A C40H62ClN9O15S 975.37746 NA MeJP NA NA +PJ110383 GSSSSSSSQY C37H57N11O20 975.3781 NA PeJP NA NA +PJ110384 ASSSSSSSNY C37H57N11O20 975.3782 NA PeJP NA NA +PJ110385 SSSDMMRY C38H61N11O15S2 975.379 NA PeJP NA NA +PJ110386 PPCDEEMR C38H61N11O15S2 975.3791 NA PeJP NA NA +PJ110387 SNNNNNNW C38H53N15O16 975.3795 NA PeJP NA NA +PJ110388 GGGGGGGGGGGGSW C38H53N15O16 975.3796 NA PeJP NA NA +PJ110389 GQEMYYW C46H57N9O13S 975.3797 NA PeJP NA NA +PJ110390 NMMMMRY C39H65N11O10S4 975.3799 NA PeJP NA NA +PJ110391 GSCCQHRW C39H57N15O11S2 975.3804 NA PeJP NA NA +PJ110392 GPTEEEEW C42H57N9O18 975.3822 NA PeJP NA NA +PJ110393 GSSSCNEHR C35H57N15O16S 975.3829 NA PeJP NA NA +PJ110394 GSTTMMYW C43H61N9O13S2 975.3831 NA PeJP NA NA +PJ110395 NNNNEWW C43H53N13O14 975.3835 NA PeJP NA NA +PJ110396 GGGGGGNEWW C43H53N13O14 975.3836 NA PeJP NA NA +PJ110397 ACFFYYY C51H57N7O11S 975.3837 NA PeJP NA NA +PJ110398 GCNQMMHR C36H61N15O11S3 975.3838 NA PeJP NA NA +PJ110399 CKMMMFW C44H65N9O8S4 975.3839 NA PeJP NA NA +PJ110400 CCNKHWW C44H57N13O9S2 975.3844 NA PeJP NA NA +PJ110401 ASSSTTEMY C39H61N9O18S 975.3855 NA PeJP NA NA +PJ110402 GSSTTTEMY C39H61N9O18S 975.3856 NA PeJP NA NA +PJ110403 PEEEFYY C47H57N7O16 975.3862 NA PeJP NA NA +PJ110404 GSKEMMMY C40H65N9O13S3 975.3864 NA PeJP NA NA +PJ110405 GPCNDERW C40H57N13O14S 975.3869 NA PeJP NA NA +PJ110406 GDEHFWW C48H53N11O12 975.3876 NA PeJP NA NA +PJ110407 ACCKMHHF C41H61N13O9S3 975.3878 NA PeJP NA NA +PJ110408 MMHWWW C49H57N11O7S2 975.3884 NA PeJP NA NA +PJ110409 GNNEEEER C36H57N13O19 975.3894 NA PeJP NA NA +PJ110410 LEEEMYY C44H61N7O16S 975.3896 NA PeJP NA NA +PJ110411 GSEEMMHR C37H61N13O14S2 975.3903 NA PeJP NA NA +PJ110412 GSSSNNHHH C37H53N17O15 975.3907 NA PeJP NA NA +PJ110413 GGGSSSNHHH C37H53N17O15 975.3908 NA PeJP NA NA +PJ110414 STEMHWW C45H57N11O12S 975.3909 NA PeJP NA NA +PJ110415 GGGGGGACFFF C45H57N11O12S 975.391 NA PeJP NA NA +PJ110416 APCMMMHR C38H65N13O9S4 975.3912 NA PeJP NA NA +PJ110417 SPCCHHHR C38H57N17O10S2 975.3916 NA PeJP NA NA +PJ110418 ACHHHWW C46H53N15O8S 975.3923 NA PeJP NA NA +PJ110419 SSTTEEHW C41H57N11O17 975.3934 NA PeJP NA NA +PJ110420 GGGGGVEEEW C41H57N11O17 975.3935 NA PeJP NA NA +PJ110421 CNNNNNQR C34H57N17O15S 975.3941 NA PeJP NA NA +PJ110422 GGGGGGGGGGCQR C34H57N17O15S 975.3942 NA PeJP NA NA +PJ110423 DKEMMHW C42H61N11O12S2 975.3943 NA PeJP NA NA +PJ110424 GSSEHHHW C42H53N15O13 975.3948 NA PeJP NA NA +PJ110425 QMYYWW C50H57N9O10S 975.3949 NA PeJP NA NA +PJ110426 GCCNMHRR C35H61N17O10S3 975.395 NA PeJP NA NA +PJ110427 MMHHHHF C43H57N15O8S2 975.3956 NA PeJP NA NA +PJ110428 SSSSSCQKY C38H61N11O17S 975.3968 NA PeJP NA NA +PJ110429 STQEYYW C46H57N9O15 975.3974 NA PeJP NA NA +PJ110430 PTEEEWW C46H57N9O15 975.3975 NA PeJP NA NA +PJ110431 GSTMMMRY C39H65N11O12S3 975.3977 NA PeJP NA NA +PJ110432 SSSCNHRW C39H57N15O13S 975.3981 NA PeJP NA NA +PJ110433 GGGCNEHFR C39H57N15O13S 975.3982 NA PeJP NA NA +PJ110434 PPEMMWW C47H61N9O10S2 975.3983 NA PeJP NA NA +PJ110435 GNNNWWW C47H53N13O11 975.3988 NA PeJP NA NA +PJ110436 SSSSSNDHR C35H57N15O18 975.4006 NA PeJP NA NA +PJ110437 GNDDDERR C35H57N15O18 975.4007 NA PeJP NA NA +PJ110438 SSTTTMYW C43H61N9O15S 975.4008 NA PeJP NA NA +PJ110439 AAYYYYY C51H57N7O13 975.4015 NA PeJP NA NA +PJ110440 SKMMMYW C44H65N9O10S3 975.4017 NA PeJP NA NA +PJ110441 NNQMHFW C44H57N13O11S 975.4021 NA PeJP NA NA +PJ110442 PCNDRWW C44H57N13O11S 975.4022 NA PeJP NA NA +PJ110443 DHFWWW C52H53N11O9 975.4028 NA PeJP NA NA +PJ110444 SSSTTTTEY C39H61N9O20 975.4033 NA PeJP NA NA +PJ110445 SSTKEMMY C40H65N9O15S2 975.4042 NA PeJP NA NA +PJ110446 ASSSSSQHW C40H57N13O16 975.4046 NA PeJP NA NA +PJ110447 NNEEERW C40H57N13O16 975.4047 NA PeJP NA NA +PJ110448 AAKMMMMY C41H69N9O10S4 975.4051 NA PeJP NA NA +PJ110449 SEMMHRW C41H61N13O11S2 975.4055 NA PeJP NA NA +PJ110450 GNNNHHHF C41H53N17O12 975.406 NA PeJP NA NA +PJ110451 GPNMWWW C49H57N11O9S 975.4062 NA PeJP NA NA +PJ110452 SSTEEMHR C37H61N13O16S 975.408 NA PeJP NA NA +PJ110453 GGGGSPEEMR C37H61N13O16S 975.4081 NA PeJP NA NA +PJ110454 AQQEEWW C45H57N11O14 975.4087 NA PeJP NA NA +PJ110455 AAEMMMHR C38H65N13O11S3 975.4089 NA PeJP NA NA +PJ110456 GSDMHHHR C38H57N17O12S 975.4094 NA PeJP NA NA +PJ110457 SVMMHWW C46H61N11O9S2 975.4095 NA PeJP NA NA +PJ110458 TCLMHWW C46H61N11O9S2 975.4096 NA PeJP NA NA +PJ110459 SSHHHWW C46H53N15O10 975.41 NA PeJP NA NA +PJ110460 GSSNNNNNR C34H57N17O17 975.4119 NA PeJP NA NA +PJ110461 SQEMRYY C42H61N11O14S 975.412 NA PeJP NA NA +PJ110462 PEEEMRW C42H61N11O14S 975.4121 NA PeJP NA NA +PJ110463 GTTYYWW C50H57N9O12 975.4127 NA PeJP NA NA +PJ110464 GGSTCCHRR C35H61N17O12S2 975.4128 NA PeJP NA NA +PJ110465 LQMMMHW C43H65N11O9S3 975.4129 NA PeJP NA NA +PJ110466 CNNHFRW C43H57N15O10S 975.4134 NA PeJP NA NA +PJ110467 GSSSSSSSKY C38H61N11O19 975.4145 NA PeJP NA NA +PJ110468 GVEEEEER C38H61N11O19 975.4146 NA PeJP NA NA +PJ110469 SSTTMMRY C39H65N11O14S2 975.4154 NA PeJP NA NA +PJ110470 GGGGGAPLEMM C39H65N11O14S2 975.4155 NA PeJP NA NA +PJ110471 NDDDRRW C39H57N15O15 975.4159 NA PeJP NA NA +PJ110472 PVEEMWW C47H61N9O12S 975.4161 NA PeJP NA NA +PJ110473 APKMMMMH C40H69N11O9S4 975.4163 NA PeJP NA NA +PJ110474 GSCCKHRW C40H61N15O10S2 975.4168 NA PeJP NA NA +PJ110475 GSQHHHHH C40H53N19O11 975.4172 NA PeJP NA NA +PJ110476 GGGTHHHHH C40H53N19O11 975.4173 NA PeJP NA NA +PJ110477 AALEEEEW C43H61N9O17 975.4186 NA PeJP NA NA +PJ110478 SPCNDERR C36H61N15O15S 975.4193 NA PeJP NA NA +PJ110479 SPPLDMMW C44H65N9O12S2 975.4194 NA PeJP NA NA +PJ110480 SPPVEMMW C44H65N9O12S2 975.4195 NA PeJP NA NA +PJ110481 GNEERWW C44H57N13O13 975.4199 NA PeJP NA NA +PJ110482 GGGGGGGGAPFW C44H57N13O13 975.42 NA PeJP NA NA +PJ110483 DMMMHRR C37H65N15O10S3 975.4201 NA PeJP NA NA +PJ110484 GGPPCCMRR C37H65N15O10S3 975.4202 NA PeJP NA NA +PJ110485 PCMHFRW C45H61N13O8S2 975.4208 NA PeJP NA NA +PJ110486 SSSSTTLMY C40H65N9O17S 975.4219 NA PeJP NA NA +PJ110487 PVDKEEEM C40H65N9O17S 975.422 NA PeJP NA NA +PJ110488 PLEEYYY C48H61N7O15 975.4226 NA PeJP NA NA +PJ110489 ATTKMMMY C41H69N9O12S3 975.4228 NA PeJP NA NA +PJ110490 GSPNEMRW C41H61N13O13S 975.4233 NA PeJP NA NA +PJ110491 AAQEWWW C49H57N11O11 975.4239 NA PeJP NA NA +PJ110492 GGGVEWWW C49H57N11O11 975.424 NA PeJP NA NA +PJ110493 CLMMHRW C42H65N13O8S3 975.4242 NA PeJP NA NA +PJ110494 TCHHHRW C42H57N17O9S 975.4246 NA PeJP NA NA +PJ110495 EEEEERR C37H61N13O18 975.4258 NA PeJP NA NA +PJ110496 ATTEMMHR C38H65N13O13S2 975.4267 NA PeJP NA NA +PJ110497 SSSEHHHR C38H57N17O14 975.4271 NA PeJP NA NA +PJ110498 GGGGSPDHHR C38H57N17O14 975.4272 NA PeJP NA NA +PJ110499 PNDKMWW C46H61N11O11S 975.4273 NA PeJP NA NA +PJ110500 QFFYWW C54H57N9O9 975.428 NA PeJP NA NA +PJ110501 VEEEERW C42H61N11O16 975.4298 NA PeJP NA NA +PJ110502 GSSSSCHRR C35H61N17O14S 975.4305 NA PeJP NA NA +PJ110503 GTTLMMHW C43H65N11O11S2 975.4307 NA PeJP NA NA +PJ110504 SNNNRWW C43H57N15O12 975.4311 NA PeJP NA NA +PJ110505 GGGGSNRWW C43H57N15O12 975.4312 NA PeJP NA NA +PJ110506 KMYYWW C51H61N9O9S 975.4313 NA PeJP NA NA +PJ110507 ACCCKHRR C36H65N17O9S3 975.4314 NA PeJP NA NA +PJ110508 SSSSSCKKY C39H65N11O16S 975.4332 NA PeJP NA NA +PJ110509 VVEEEWW C47H61N9O14 975.4338 NA PeJP NA NA +PJ110510 GGPPPEEFF C47H61N9O14 975.4339 NA PeJP NA NA +PJ110511 TCCCKKKY C40H69N11O11S3 975.4341 NA PeJP NA NA +PJ110512 GSPCDRRW C40H61N15O12S 975.4345 NA PeJP NA NA +PJ110513 GGGGGGAAMRW C40H61N15O12S 975.4346 NA PeJP NA NA +PJ110514 AKMMFYW C48H65N9O9S2 975.4347 NA PeJP NA NA +PJ110515 NERWWW C48H57N13O10 975.4352 NA PeJP NA NA +PJ110516 GSNEEERR C36H61N15O17 975.437 NA PeJP NA NA +PJ110517 GGGGGGSDKER C36H61N15O17 975.4371 NA PeJP NA NA +PJ110518 APTLEEMW C44H65N9O14S 975.4372 NA PeJP NA NA +PJ110519 GPNDMMRR C37H65N15O12S2 975.4379 NA PeJP NA NA +PJ110520 APPLMMMW C45H69N9O9S3 975.4381 NA PeJP NA NA +PJ110521 GNNNQHHR C37H57N19O13 975.4384 NA PeJP NA NA +PJ110522 SPNMRWW C45H61N13O10S 975.4385 NA PeJP NA NA +PJ110523 AASPCRWW C45H61N13O10S 975.4386 NA PeJP NA NA +PJ110524 VNWWWW C53H57N11O8 975.4392 NA PeJP NA NA +PJ110525 STTTTTTTY C40H65N9O19 975.4397 NA PeJP NA NA +PJ110526 TTTTKMMY C41H69N9O14S2 975.4406 NA PeJP NA NA +PJ110527 NDKEERW C41H61N13O15 975.441 NA PeJP NA NA +PJ110528 GGDKEERW C41H61N13O15 975.4411 NA PeJP NA NA +PJ110529 PQQMMRW C42H65N13O10S2 975.4419 NA PeJP NA NA +PJ110530 NEHHHFR C42H57N17O11 975.4424 NA PeJP NA NA +PJ110531 APCKWWW C50H61N11O8S 975.4426 NA PeJP NA NA +PJ110532 TTTTEMHR C38H65N13O15S 975.4444 NA PeJP NA NA +PJ110533 GGGGGGGGLKEM C38H65N13O15S 975.4445 NA PeJP NA NA +PJ110534 AQKEEWW C46H61N11O13 975.4451 NA PeJP NA NA +PJ110535 GTLMMMHR C39H69N13O10S3 975.4453 NA PeJP NA NA +PJ110536 CNNQRRW C39H61N17O11S 975.4458 NA PeJP NA NA +PJ110537 PKMMHFW C47H65N11O8S2 975.4459 NA PeJP NA NA +PJ110538 VNHHHFW C47H57N15O9 975.4464 NA PeJP NA NA +PJ110539 GSDDDRRR C35H61N17O16 975.4483 NA PeJP NA NA +PJ110540 STTTLMHW C43H65N11O13S 975.4484 NA PeJP NA NA +PJ110541 GGAPTKEMW C43H65N11O13S 975.4485 NA PeJP NA NA +PJ110542 PPVEYWW C51H61N9O11 975.4491 NA PeJP NA NA +PJ110543 LKMMMHW C44H69N11O8S3 975.4493 NA PeJP NA NA +PJ110544 TKMHHHW C44H61N15O9S 975.4498 NA PeJP NA NA +PJ110545 GRWWWW C52H57N13O7 975.4504 NA PeJP NA NA +PJ110546 SSTTTTLEH C39H65N11O18 975.4509 NA PeJP NA NA +PJ110547 ATLEEEER C39H65N11O18 975.451 NA PeJP NA NA +PJ110548 APLEEMMR C40H69N11O13S2 975.4518 NA PeJP NA NA +PJ110549 SNEERRW C40H61N15O14 975.4523 NA PeJP NA NA +PJ110550 SVKMYYW C48H65N9O11S 975.4524 NA PeJP NA NA +PJ110551 TCLKYYW C48H65N9O11S 975.4525 NA PeJP NA NA +PJ110552 PCQMRRW C41H65N15O9S2 975.4532 NA PeJP NA NA +PJ110553 GSKHHHHH C41H57N19O10 975.4536 NA PeJP NA NA +PJ110554 STTTLQYY C44H65N9O16 975.4549 NA PeJP NA NA +PJ110555 GTLLEEEW C44H65N9O16 975.455 NA PeJP NA NA +PJ110556 QQEEMRR C37H65N15O14S 975.4556 NA PeJP NA NA +PJ110557 GAQEEMRR C37H65N15O14S 975.4557 NA PeJP NA NA +PJ110558 GPLLEMMW C45H69N9O11S2 975.4558 NA PeJP NA NA +PJ110559 GDKERWW C45H61N13O12 975.4563 NA PeJP NA NA +PJ110560 ACCKKMHR C38H69N15O9S3 975.4565 NA PeJP NA NA +PJ110561 GPCNHHRR C38H61N19O10S 975.457 NA PeJP NA NA +PJ110562 GHHHFRW C46H57N17O8 975.4577 NA PeJP NA NA +PJ110563 PTLKEEEM C41H69N9O16S 975.4583 NA PeJP NA NA +PJ110564 GGVLLEEEM C41H69N9O16S 975.4584 NA PeJP NA NA +PJ110565 LLEEFYY C49H65N7O14 975.459 NA PeJP NA NA +PJ110566 PPLKEMMM C42H73N9O11S3 975.4592 NA PeJP NA NA +PJ110567 VQQEMRW C42H65N13O12S 975.4597 NA PeJP NA NA +PJ110568 AAKEWWW C50H61N11O10 975.4603 NA PeJP NA NA +PJ110569 GTQKEEER C38H65N13O17 975.4622 NA PeJP NA NA +PJ110570 STTLMMHR C39H69N13O12S2 975.463 NA PeJP NA NA +PJ110571 GPQKEMMR C39H69N13O12S2 975.4631 NA PeJP NA NA +PJ110572 GSSNNRRW C39H61N17O13 975.4635 NA PeJP NA NA +PJ110573 GGGGGGGAPPHR C39H61N17O13 975.4636 NA PeJP NA NA +PJ110574 PTQKMWW C47H65N11O10S 975.4637 NA PeJP NA NA +PJ110575 KFFYWW C55H61N9O8 975.4643 NA PeJP NA NA +PJ110576 PPPFFWW C55H61N9O8 975.4644 NA PeJP NA NA +PJ110577 QKKEEEW C43H65N11O15 975.4662 NA PeJP NA NA +PJ110578 NDEMRRR C36H65N17O13S 975.4669 NA PeJP NA NA +PJ110579 GPVQKMMW C44H69N11O10S2 975.4671 NA PeJP NA NA +PJ110580 GSERRWW C44H61N15O11 975.4675 NA PeJP NA NA +PJ110581 GGGPTKHHW C44H61N15O11 975.4676 NA PeJP NA NA +PJ110582 PPLMFWW C52H65N9O8S 975.4677 NA PeJP NA NA +PJ110583 GLLEEEMR C40H69N11O15S 975.4696 NA PeJP NA NA +PJ110584 TLLEEWW C48H65N9O13 975.4702 NA PeJP NA NA +PJ110585 PPTLMMMR C41H73N11O10S3 975.4704 NA PeJP NA NA +PJ110586 GGPPKKMMM C41H73N11O10S3 975.4705 NA PeJP NA NA +PJ110587 AQEMRRW C41H65N15O11S 975.4709 NA PeJP NA NA +PJ110588 PLLMMWW C49H69N9O8S2 975.4711 NA PeJP NA NA +PJ110589 DKRWWW C49H61N13O9 975.4716 NA PeJP NA NA +PJ110590 GSDKEERR C37H65N15O16 975.4734 NA PeJP NA NA +PJ110591 GVLLEEMW C45H69N9O13S 975.4736 NA PeJP NA NA +PJ110592 GPTQMMRR C38H69N15O11S2 975.4743 NA PeJP NA NA +PJ110593 NQEHHRR C38H61N19O12 975.4747 NA PeJP NA NA +PJ110594 GGQEHHRR C38H61N19O12 975.4748 NA PeJP NA NA +PJ110595 GLQMRWW C46H65N13O9S 975.4749 NA PeJP NA NA +PJ110596 SLLKEEEE C41H69N9O18 975.4761 NA PeJP NA NA +PJ110597 PVLKEEMM C42H73N9O13S2 975.477 NA PeJP NA NA +PJ110598 TQKEERW C42H65N13O14 975.4774 NA PeJP NA NA +PJ110599 GGGGGTKKEW C42H65N13O14 975.4775 NA PeJP NA NA +PJ110600 CDDRRRR C35H65N19O12S 975.4781 NA PeJP NA NA +PJ110601 PQKMMRW C43H69N13O9S2 975.4783 NA PeJP NA NA +PJ110602 VNQHHRW C43H61N17O10 975.4788 NA PeJP NA NA +PJ110603 GVQKEEMR C39H69N13O14S 975.4808 NA PeJP NA NA +PJ110604 SLQKEWW C47H65N11O12 975.4814 NA PeJP NA NA +PJ110605 AKKEEWW C47H65N11O12 975.4815 NA PeJP NA NA +PJ110606 ACKKKMMH C40H73N13O9S3 975.4817 NA PeJP NA NA +PJ110607 CNNKRRW C40H65N17O10S 975.4821 NA PeJP NA NA +PJ110608 GDMRRRW C40H65N17O10S 975.4822 NA PeJP NA NA +PJ110609 SRRWWW C48H61N15O8 975.4828 NA PeJP NA NA +PJ110610 SSNNDKRR C36H65N17O15 975.4846 NA PeJP NA NA +PJ110611 GSSEERRR C36H65N17O15 975.4847 NA PeJP NA NA +PJ110612 LLEEMRW C44H69N11O12S 975.4848 NA PeJP NA NA +PJ110613 GGGGGAPLLMF C44H69N11O12S 975.4849 NA PeJP NA NA +PJ110614 PVLEFWW C52H65N9O10 975.4855 NA PeJP NA NA +PJ110615 AAMRRWW C45H65N15O8S 975.4862 NA PeJP NA NA +PJ110616 STLLEEER C40H69N11O17 975.4873 NA PeJP NA NA +PJ110617 SPLLEMMR C41H73N11O12S2 975.4882 NA PeJP NA NA +PJ110618 SDKERRW C41H65N15O13 975.4887 NA PeJP NA NA +PJ110619 PKKMFYY C49H69N9O10S 975.4888 NA PeJP NA NA +PJ110620 VLLEMWW C49H69N9O10S 975.4889 NA PeJP NA NA +PJ110621 PCKMRRW C42H69N15O8S2 975.4895 NA PeJP NA NA +PJ110622 GQHHRRW C42H61N19O9 975.49 NA PeJP NA NA +PJ110623 VTTILDEW C45H69N9O15 975.4913 NA PeJP NA NA +PJ110624 SSLLLEEW C45H69N9O15 975.4914 NA PeJP NA NA +PJ110625 QKEEMRR C38H69N15O13S 975.492 NA PeJP NA NA +PJ110626 GAKEEMRR C38H69N15O13S 975.4921 NA PeJP NA NA +PJ110627 SPVLLMMW C46H73N9O10S2 975.4922 NA PeJP NA NA +PJ110628 ATKERWW C46H65N13O11 975.4927 NA PeJP NA NA +PJ110629 VVLKEEEM C42H73N9O15S 975.4947 NA PeJP NA NA +PJ110630 LLLEYYY C50H69N7O13 975.4954 NA PeJP NA NA +PJ110631 PLLLQMMM C43H77N9O10S3 975.4956 NA PeJP NA NA +PJ110632 SSSNNRRR C35H65N19O14 975.4959 NA PeJP NA NA +PJ110633 VQKEMRW C43H69N13O11S 975.4961 NA PeJP NA NA +PJ110634 GTLKWWW C51H65N11O9 975.4967 NA PeJP NA NA +PJ110635 APTTTTTQR C39H69N13O16 975.4985 NA PeJP NA NA +PJ110636 GTKKEEER C39H69N13O16 975.4986 NA PeJP NA NA +PJ110637 GPKKEMMR C40H73N13O11S2 975.4994 NA PeJP NA NA +PJ110638 GGGAALLMMR C40H73N13O11S2 975.4995 NA PeJP NA NA +PJ110639 SSERRRW C40H65N17O12 975.4999 NA PeJP NA NA +PJ110640 PTKKMWW C48H69N11O9S 975.5001 NA PeJP NA NA +PJ110641 PHHHHRR C41H61N21O8 975.5013 NA PeJP NA NA +PJ110642 KKKEEEW C44H69N11O14 975.5026 NA PeJP NA NA +PJ110643 TQEMRRR C37H69N17O12S 975.5033 NA PeJP NA NA +PJ110644 GPVKKMMW C45H73N11O9S2 975.5035 NA PeJP NA NA +PJ110645 ATTRRWW C45H65N15O10 975.5039 NA PeJP NA NA +PJ110646 SSPPTTKKM C41H73N11O14S 975.5059 NA PeJP NA NA +PJ110647 SVLLEEMR C41H73N11O14S 975.506 NA PeJP NA NA +PJ110648 GPVLLEYW C49H69N9O12 975.5066 NA PeJP NA NA +PJ110649 PVVLMMMR C42H77N11O9S3 975.5068 NA PeJP NA NA +PJ110650 AKEMRRW C42H69N15O10S 975.5073 NA PeJP NA NA +PJ110651 ALHFFRW C50H65N13O8 975.5079 NA PeJP NA NA +PJ110652 GPKFRWW C50H65N13O8 975.508 NA PeJP NA NA +PJ110653 GTTKEERR C38H69N15O15 975.5098 NA PeJP NA NA +PJ110654 ATLLLEMW C46H73N9O12S 975.51 NA PeJP NA NA +PJ110655 GPTKMMRR C39H73N15O10S2 975.5107 NA PeJP NA NA +PJ110656 NNNFRRR C39H65N19O11 975.5111 NA PeJP NA NA +PJ110657 GGGGNFRRR C39H65N19O11 975.5112 NA PeJP NA NA +PJ110658 GLKMRWW C47H69N13O8S 975.5113 NA PeJP NA NA +PJ110659 GTTTLLLEE C42H73N9O17 975.5125 NA PeJP NA NA +PJ110660 SSPVVLLMM C43H77N9O12S2 975.5133 NA PeJP NA NA +PJ110661 VLLLQEMM C43H77N9O12S2 975.5134 NA PeJP NA NA +PJ110662 TKKEERW C43H69N13O13 975.5138 NA PeJP NA NA +PJ110663 GGGGGGGGLLKF C43H69N13O13 975.5139 NA PeJP NA NA +PJ110664 SDMRRRR C36H69N19O11S 975.5145 NA PeJP NA NA +PJ110665 PKKMMRW C44H73N13O8S2 975.5147 NA PeJP NA NA +PJ110666 PPQHRRW C44H65N17O9 975.5152 NA PeJP NA NA +PJ110667 GVKKEEMR C40H73N13O13S 975.5172 NA PeJP NA NA +PJ110668 SLKKEWW C48H69N11O11 975.5178 NA PeJP NA NA +PJ110669 AAAAPVKYW C48H69N11O11 975.5179 NA PeJP NA NA +PJ110670 ATMRRRW C41H69N17O9S 975.5185 NA PeJP NA NA +PJ110671 GTTTERRR C37H69N17O14 975.521 NA PeJP NA NA +PJ110672 AALKKEMW C45H73N11O11S 975.5212 NA PeJP NA NA +PJ110673 PVLLYWW C53H69N9O9 975.5219 NA PeJP NA NA +PJ110674 SQHHRRR C38H65N21O10 975.5224 NA PeJP NA NA +PJ110675 SVKKKEEE C41H73N11O16 975.5237 NA PeJP NA NA +PJ110676 ALLLEMMR C42H77N11O11S2 975.5246 NA PeJP NA NA +8112 peptide derived from lecithin-free egg yolk LELHKLRSSHWFSRR 975.525 MH2+ Inhouse_peptide NA peptide +PJ110677 APTTQFRR C42H69N15O12 975.525 NA PeJP NA NA +PJ110678 TTKERRW C42H69N15O12 975.5251 NA PeJP NA NA +PJ110679 GPLLLMFW C50H73N9O9S 975.5252 NA PeJP NA NA +PJ110680 GKHHRRW C43H65N19O8 975.5264 NA PeJP NA NA +PJ110681 TTTLLLEW C46H73N9O14 975.5277 NA PeJP NA NA +PJ110682 AAALLLEEF C46H73N9O14 975.5278 NA PeJP NA NA +PJ110683 KKEEMRR C39H73N15O12S 975.5284 NA PeJP NA NA +PJ110684 GGGGGGCKKKK C39H73N15O12S 975.5285 NA PeJP NA NA +PJ110685 GLLLLMMW C47H77N9O9S2 975.5286 NA PeJP NA NA +PJ110686 STLKRWW C47H69N13O10 975.5291 NA PeJP NA NA +PJ110687 TLLLKEEM C43H77N9O14S 975.5311 NA PeJP NA NA +PJ110688 PLLLKMMM C44H81N9O9S3 975.532 NA PeJP NA NA +PJ110689 QQKKKMW C44H73N13O10S 975.5324 NA PeJP NA NA +PJ110690 VKKEMRW C44H73N13O10S 975.5325 NA PeJP NA NA +PJ110691 VLKHFFW C52H69N11O8 975.5331 NA PeJP NA NA +PJ110692 SSLKKEER C40H73N13O15 975.5349 NA PeJP NA NA +PJ110693 STLDKKER C40H73N13O15 975.535 NA PeJP NA NA +PJ110694 SPVKKMMR C41H77N13O10S2 975.5358 NA PeJP NA NA +PJ110695 TTTRRRW C41H69N17O11 975.5363 NA PeJP NA NA +PJ110696 VVKKMWW C49H73N11O8S 975.5365 NA PeJP NA NA +PJ110697 ATTLKKEW C45H73N11O13 975.539 NA PeJP NA NA +PJ110698 TKEMRRR C38H73N17O11S 975.5397 NA PeJP NA NA +PJ110699 APKRRYW C46H69N15O9 975.5403 NA PeJP NA NA +PJ110700 TTLLLEMR C42H77N11O13S 975.5423 NA PeJP NA NA +PJ110701 ALKKKEEM C42H77N11O13S 975.5424 NA PeJP NA NA +PJ110702 APTLLLYW C50H73N9O11 975.543 NA PeJP NA NA +PJ110703 SLKMRRW C43H73N15O9S 975.5437 NA PeJP NA NA +PJ110704 SSTLKERR C39H73N15O14 975.5462 NA PeJP NA NA +PJ110705 STLLLLMW C47H77N9O11S 975.5464 NA PeJP NA NA +PJ110706 AALKMMRR C40H77N15O9S2 975.5471 NA PeJP NA NA +PJ110707 GEFRRRR C40H69N19O10 975.5475 NA PeJP NA NA +PJ110708 SSTTLLLLE C43H77N9O16 975.5489 NA PeJP NA NA +PJ110709 VLLLKEMM C44H81N9O11S2 975.5497 NA PeJP NA NA +PJ110710 SSSLLKRW C44H73N13O12 975.5502 NA PeJP NA NA +PJ110711 TTMRRRR C37H73N19O10S 975.5509 NA PeJP NA NA +PJ110712 GVFRRRW C45H69N17O8 975.5516 NA PeJP NA NA +PJ110713 ATLKKEMR C41H77N13O12S 975.5536 NA PeJP NA NA +PJ110714 AAPLKKYW C49H73N11O10 975.5542 NA PeJP NA NA +PJ110715 SSTTLRRR C38H73N17O13 975.5574 NA PeJP NA NA +PJ110716 GTLLKKMW C46H77N11O10S 975.5576 NA PeJP NA NA +PJ110717 VLLLFWW C54H73N9O8 975.5582 NA PeJP NA NA +PJ110718 VKMMRRR C39H77N17O8S2 975.5583 NA PeJP NA NA +PJ110719 SKHHRRR C39H69N21O9 975.5588 NA PeJP NA NA +PJ110720 TTLKKKEE C42H77N11O15 975.5601 NA PeJP NA NA +PJ110721 SLLLLMMR C43H81N11O10S2 975.561 NA PeJP NA NA +PJ110722 GSSKKKRW C43H73N15O11 975.5614 NA PeJP NA NA +PJ110723 AAAAVVRRY C43H73N15O11 975.5615 NA PeJP NA NA +PJ110724 FRRRRW C44H69N19O7 975.5628 NA PeJP NA NA +PJ110725 PTLLLKEY C47H77N9O13 975.5641 NA PeJP NA NA +PJ110726 ATTLKMRR C40H77N15O11S 975.5648 NA PeJP NA NA +PJ110727 PVKKRYW C48H73N13O9 975.5655 NA PeJP NA NA +PJ110728 SSSLLLLLM C44H81N9O13S 975.5675 NA PeJP NA NA +PJ110729 QKKKKMW C45H77N13O9S 975.5688 NA PeJP NA NA +PJ110730 TTTLKKER C41H77N13O14 975.5713 NA PeJP NA NA +PJ110731 GLLKKMMR C42H81N13O9S2 975.5722 NA PeJP NA NA +PJ110732 PTKRRRY C42H73N17O10 975.5727 NA PeJP NA NA +PJ110733 STTILKKW C46H77N11O12 975.5753 NA PeJP NA NA +PJ110734 STTLLKKW C46H77N11O12 975.5754 NA PeJP NA NA +PJ110735 GTCKKKRR C39H77N17O10S 975.576 NA PeJP NA NA +PJ110736 ASCKKKRR C39H77N17O10S 975.5761 NA PeJP NA NA +PJ110737 ALKFRRW C47H73N15O8 975.5767 NA PeJP NA NA +PJ110738 SLLKKKEM C43H81N11O12S 975.5787 NA PeJP NA NA +PJ110739 GVLLLLYW C51H77N9O10 975.5794 NA PeJP NA NA +PJ110740 CKKKKRW C44H77N15O8S 975.5801 NA PeJP NA NA +PJ110741 TTTTLKRR C40H77N15O13 975.5826 NA PeJP NA NA +PJ110742 PVLLLKMY C48H81N9O10S 975.5828 NA PeJP NA NA +PJ110743 GLRRRRY C41H73N19O9 975.5839 NA PeJP NA NA +PJ110744 TTTTTLLLL C44H81N9O15 975.5852 NA PeJP NA NA +PJ110745 GTTKKKKW C45H77N13O11 975.5866 NA PeJP NA NA +PJ110746 STLLKKMR C42H81N13O11S 975.59 NA PeJP NA NA +PJ110747 LLLLRYW C50H77N11O9 975.5906 NA PeJP NA NA +PJ110748 SSSKKKRR C39H77N17O12 975.5938 NA PeJP NA NA +PJ110749 ALLLLMFR C47H81N11O9S 975.594 NA PeJP NA NA +PJ110750 PVHRRRR C40H73N21O8 975.5952 NA PeJP NA NA +PJ110751 SSSTLLLKK C43H81N11O14 975.5965 NA PeJP NA NA +PJ110752 VVLKKKMM C44H85N11O9S2 975.5974 NA PeJP NA NA +PJ110753 LLQKRRY C44H77N15O10 975.5978 NA PeJP NA NA +PJ110754 VVLLLKEY C48H81N9O12 975.6005 NA PeJP NA NA +PJ110755 GTKKKKMR C41H81N15O10S 975.6012 NA PeJP NA NA +PJ110756 VLKKFRW C49H77N13O8 975.6018 NA PeJP NA NA +PJ110757 KKKKKMW C46H81N13O8S 975.6052 NA PeJP NA NA +PJ110758 STKKKKKE C42H81N13O13 975.6077 NA PeJP NA NA +PJ110759 VVKRRRY C43H77N17O9 975.6091 NA PeJP NA NA +PJ110760 SVLLLLRY C47H81N11O11 975.6117 NA PeJP NA NA +PJ110761 GAALLLKKY C47H81N11O11 975.6118 NA PeJP NA NA +PJ110762 PVLLLKFF C52H81N9O9 975.6158 NA PeJP NA NA +PJ110763 STTKKKKR C41H81N15O12 975.619 NA PeJP NA NA +PJ110764 VLLLLKMF C49H85N9O9S 975.6191 NA PeJP NA NA +PJ110765 GVLLKKRY C46H81N13O10 975.623 NA PeJP NA NA +PJ110766 SVKKKKKM C43H85N13O10S 975.6264 NA PeJP NA NA +PJ110767 LLKKRRY C45H81N15O9 975.6342 NA PeJP NA NA +PJ110768 TLLLLLKY C49H85N9O11 975.6369 NA PeJP NA NA +PJ110769 ALLLKKKY C48H85N11O10 975.6481 NA PeJP NA NA +PJ110770 VLLLLLHR C47H85N13O9 975.6594 NA PeJP NA NA +PJ110771 PPVVLLLLL C50H89N9O10 975.6733 NA PeJP NA NA +PJ110772 SCCCCNDDD C31H48N10O18S4 976.2031 NA PeJP NA NA +PJ110773 PCCCCCCNE C32H52N10O13S6 976.204 NA PeJP NA NA +MJ099012 3',4',5,7-Tetrahydroxyflavone; 3'-O-[4-Hydroxy-3-methoxycinnamoyl-(??)-?-D-glucopyranoside], 4',7-di-O-?-D-glucuronopyranoside C43H44O26 976.212081 NA MeJP NA NA +PJ110774 GPCCCCCCW C36H52N10O10S6 976.2193 NA PeJP NA NA +PJ110775 GCCCCNDEM C32H52N10O15S5 976.2218 NA PeJP NA NA +PJ110776 GCCCCCDDR C31H52N12O14S5 976.233 NA PeJP NA NA +PJ110777 CCCCNDMW C36H52N10O12S5 976.237 NA PeJP NA NA +PJ110778 SSCCCNDDM C32H52N10O17S4 976.2395 NA PeJP NA NA +PJ110779 SPCCCCCQM C33H56N10O12S6 976.2404 NA PeJP NA NA +PJ110780 CCDDDDEY C36H48N8O20S2 976.2427 NA PeJP NA NA +PJ110781 CCDDEMMM C34H56N8O15S5 976.2469 NA PeJP NA NA +PJ110782 GSSSCCCCNN C31H52N12O16S4 976.2507 NA PeJP NA NA +PJ110783 GGGSSSCCCCN C31H52N12O16S4 976.2508 NA PeJP NA NA +PJ110784 SPCCCCCCR C32H56N12O11S6 976.2516 NA PeJP NA NA +PJ110785 ACCCCCWW C40H52N10O9S5 976.2523 NA PeJP NA NA +PJ110786 GSSCCCCEW C36H52N10O14S4 976.2548 NA PeJP NA NA +PJ110787 CCCCMMHF C37H56N10O9S6 976.2556 NA PeJP NA NA +PJ110788 GSSSSCCCDE C32H52N10O19S3 976.2573 NA PeJP NA NA +PJ110789 GSCCCNEMM C33H56N10O14S5 976.2581 NA PeJP NA NA +PJ110790 GGGSCCCEMM C33H56N10O14S5 976.2582 NA PeJP NA NA +PJ110791 GCCCCYYY C41H52N8O12S4 976.2588 NA PeJP NA NA +PJ110792 CCDDDEMF C37H52N8O17S3 976.2613 NA PeJP NA NA +PJ110793 GCCCCNNNF C35H52N12O13S4 976.266 NA PeJP NA NA +PJ110794 GSCCCCDMR C32H56N12O13S5 976.2694 NA PeJP NA NA +PJ110795 SSCCCCWW C40H52N10O11S4 976.27 NA PeJP NA NA +PJ110796 DDDDDDMH C35H48N10O21S 976.2717 NA PeJP NA NA +PJ110797 SSSSCCCDW C36H52N10O16S3 976.2725 NA PeJP NA NA +PJ110798 SCCCNMMW C37H56N10O11S5 976.2734 NA PeJP NA NA +PJ110799 SSSSSSCCDD C32H52N10O21S2 976.275 NA PeJP NA NA +PJ110800 SSSCCNDMM C33H56N10O16S4 976.2759 NA PeJP NA NA +PJ110801 CCNNMMMM C34H60N10O11S6 976.2768 NA PeJP NA NA +PJ110802 GSCCCCQHH C34H52N14O12S4 976.2772 NA PeJP NA NA +PJ110803 GGGTCCCCHH C34H52N14O12S4 976.2773 NA PeJP NA NA +PJ110804 SCDDDEMY C37H52N8O19S2 976.2791 NA PeJP NA NA +PJ110805 PCCDDMMY C38H56N8O14S4 976.2799 NA PeJP NA NA +PJ110806 GSCNDDDDH C34H48N12O20S 976.2829 NA PeJP NA NA +PJ110807 SCDEMMMM C35H60N8O14S5 976.2833 NA PeJP NA NA +PJ110808 GSCCCNNNY C35H52N12O15S3 976.2838 NA PeJP NA NA +PJ110809 PCCMMMMM C36H64N8O9S7 976.2842 NA PeJP NA NA +PJ110810 TCCCCCRW C36H56N12O10S5 976.2846 NA PeJP NA NA +FL5FCAGS0014 Kaempferol 7-methyl ether 3-(6-(E)-3,5-dimethoxy-4-hydroxycinnamoylglucosyl)-(1->2)-[rhamnosyl-(1->6)-glucoside];3-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one C45H52O24 976.28485 319481-52-2 knapsack NA NA +MJ099013 3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[4-Hydroxy-3,5-dimethoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C45H52O24 976.284852 NA MeJP NA NA +PJ110811 SSSCCCCER C32H56N12O15S4 976.2871 NA PeJP NA NA +PJ110812 GCCCNEYW C40H52N10O13S3 976.2878 NA PeJP NA NA +PJ110813 CCCCQMMR C33H60N12O10S6 976.288 NA PeJP NA NA +PJ110814 GPNDDDDDD C35H48N10O23 976.2894 NA PeJP NA NA +PJ110815 GSSCCNDEY C36H52N10O18S2 976.2903 NA PeJP NA NA +PJ110816 GTTTCCCCW C37H56N10O13S4 976.2911 NA PeJP NA NA +PJ110817 GSSTCCCMW C37H56N10O13S4 976.2912 NA PeJP NA NA +PJ110818 GDDDDDYY C40H48N8O21 976.2934 NA PeJP NA NA +PJ110819 ASSSSSCCDM C33H56N10O18S3 976.2936 NA PeJP NA NA +PJ110820 GSSSSSCCEM C33H56N10O18S3 976.2937 NA PeJP NA NA +PJ110821 PCCDDDFY C41H52N8O16S2 976.2943 NA PeJP NA NA +PJ110822 GSSCCQMMM C34H60N10O13S5 976.2945 NA PeJP NA NA +PJ110823 SSSCCCNHH C34H52N14O14S3 976.295 NA PeJP NA NA +PJ110824 GDDDMMMY C38H56N8O16S3 976.2977 NA PeJP NA NA +PJ110825 PCCDMMMF C39H60N8O11S5 976.2986 NA PeJP NA NA +PJ110826 PCCCNDHW C39H52N12O12S3 976.299 NA PeJP NA NA +PJ110827 CCCCCMRR C32H60N14O9S6 976.2992 NA PeJP NA NA +PJ110828 CNNDDEMH C35H52N12O17S2 976.3015 NA PeJP NA NA +PJ110829 GDMMMMMM C36H64N8O11S6 976.3019 NA PeJP NA NA +PJ110830 CCCCNEFR C36H56N12O12S4 976.3024 NA PeJP NA NA +PJ110831 CCCNYWW C44H52N10O10S3 976.303 NA PeJP NA NA +PJ110832 SSCCNDYW C40H52N10O15S2 976.3055 NA PeJP NA NA +PJ110833 GGCCNDDFF C40H52N10O15S2 976.3056 NA PeJP NA NA +PJ110834 GSSCCCMMR C33H60N12O12S5 976.3058 NA PeJP NA NA +PJ110835 GCCCQMFW C41H56N10O10S4 976.3064 NA PeJP NA NA +PJ110836 SSSSCNDDY C36H52N10O20S 976.308 NA PeJP NA NA +PJ110837 SDDDEEMH C36H52N10O20S 976.3081 NA PeJP NA NA +PJ110838 SSSSSCCMW C37H56N10O15S3 976.3089 NA PeJP NA NA +PJ110839 TCCCCKMW C38H60N10O10S5 976.3098 NA PeJP NA NA +PJ110840 CCCNNHHF C38H52N14O11S3 976.3103 NA PeJP NA NA +PJ110841 SSSSSSSCDM C33H56N10O20S2 976.3114 NA PeJP NA NA +PJ110842 SPCDDDYY C41H52N8O18S 976.3121 NA PeJP NA NA +PJ110843 SSSSCNMMM C34H60N10O15S4 976.3123 NA PeJP NA NA +PJ110844 ASCCNNNDH C34H52N14O16S2 976.3127 NA PeJP NA NA +PJ110845 CCNDDDHR C34H52N14O16S2 976.3128 NA PeJP NA NA +PJ110846 CDEMMYW C42H56N8O13S3 976.3129 NA PeJP NA NA +PJ110847 CCCQKMMM C35H64N10O10S6 976.3132 NA PeJP NA NA +PJ110848 GSCCCCKHH C35H56N14O11S4 976.3136 NA PeJP NA NA +PJ110849 PDDDEEEE C37H52N8O23 976.3146 NA PeJP NA NA +PJ110850 SSDDEMMY C38H56N8O18S2 976.3154 NA PeJP NA NA +PJ110851 SPCDMMMY C39H60N8O13S4 976.3163 NA PeJP NA NA +PJ110852 GCNDDMHW C39H52N12O14S2 976.3168 NA PeJP NA NA +PJ110853 GCCCCFRW C40H56N12O9S4 976.3177 NA PeJP NA NA +PJ110854 GSSNDDDMH C35H52N12O19S 976.3193 NA PeJP NA NA +PJ110855 SSEMMMMM C36H64N8O13S5 976.3197 NA PeJP NA NA +PJ110856 SCCCNERY C36H56N12O14S3 976.3201 NA PeJP NA NA +PJ110857 GGSCCCERY C36H56N12O14S3 976.3202 NA PeJP NA NA +PJ110858 GCMMMMHH C37H60N12O9S5 976.321 NA PeJP NA NA +PJ110859 TCCCHHHH C37H52N16O10S3 976.3215 NA PeJP NA NA +PJ110860 GCNNDEYY C40H52N10O17S 976.3233 NA PeJP NA NA +PJ110861 SSSTCCCMR C33H60N12O14S4 976.3235 NA PeJP NA NA +PJ110862 GSCCQMYW C41H56N10O12S3 976.3242 NA PeJP NA NA +PJ110863 CCCCKMMR C34H64N12O9S6 976.3244 NA PeJP NA NA +PJ110864 GSPNDDDEE C36H52N10O22 976.3258 NA PeJP NA NA +PJ110865 GSSSCNEMY C37H56N10O17S2 976.3267 NA PeJP NA NA +PJ110866 SDDDDHHH C37H48N14O18 976.3272 NA PeJP NA NA +PJ110867 CDDEFYW C45H52N8O15S 976.3273 NA PeJP NA NA +PJ110868 GCNQMMMY C38H60N10O12S4 976.3275 NA PeJP NA NA +PJ110869 GGGACCCLMY C38H60N10O12S4 976.3276 NA PeJP NA NA +PJ110870 SCCNNNHW C38H52N14O13S2 976.328 NA PeJP NA NA +PJ110871 GSDDEEYY C41H52N8O20 976.3298 NA PeJP NA NA +PJ110872 GSSSSSTCMM C34H60N10O17S3 976.33 NA PeJP NA NA +PJ110873 SSSCNNNDH C34H52N14O18S 976.3305 NA PeJP NA NA +PJ110874 GPCDEMYY C42H56N8O15S2 976.3307 NA PeJP NA NA +PJ110875 GSSCCKMMM C35H64N10O12S5 976.3309 NA PeJP NA NA +PJ110876 GSPCCCDHR C35H56N14O13S3 976.3314 NA PeJP NA NA +PJ110877 CEMMMFW C43H60N8O10S4 976.3316 NA PeJP NA NA +PJ110878 CCNEHWW C43H52N12O11S2 976.332 NA PeJP NA NA +PJ110879 GSEEMMMY C39H60N8O15S3 976.3341 NA PeJP NA NA +PJ110880 SSCNDEHW C39H52N12O16S 976.3345 NA PeJP NA NA +PJ110881 GGGGPCNDDW C39H52N12O16S 976.3346 NA PeJP NA NA +PJ110882 APCMMMMY C40H64N8O10S5 976.3349 NA PeJP NA NA +PJ110883 GSCCCRYW C40H56N12O11S3 976.3354 NA PeJP NA NA +PJ110884 SSSSNDDEH C35H52N12O21 976.337 NA PeJP NA NA +PJ110885 GGGGNNDEEE C35H52N12O21 976.3371 NA PeJP NA NA +PJ110886 GSSSCCDRY C36H56N12O16S2 976.3379 NA PeJP NA NA +PJ110887 ATMMMMMM C37H68N8O10S6 976.3383 NA PeJP NA NA +PJ110888 CNNDYYW C44H52N10O14S 976.3385 NA PeJP NA NA +PJ110889 GGCNDYYW C44H52N10O14S 976.3386 NA PeJP NA NA +PJ110890 GCCNMMRY C37H60N12O11S4 976.3388 NA PeJP NA NA +PJ110891 ACCCHFFF C45H56N10O9S3 976.3394 NA PeJP NA NA +PJ110892 SSNNDDYY C40H52N10O19 976.341 NA PeJP NA NA +PJ110893 SPNDDDEW C40H52N10O19 976.3411 NA PeJP NA NA +PJ110894 GCNNNNNNN C33H52N16O17S 976.3417 NA PeJP NA NA +PJ110895 GGGGGCNNNNN C33H52N16O17S 976.3418 NA PeJP NA NA +PJ110896 SSSCNMYW C41H56N10O14S2 976.3419 NA PeJP NA NA +PJ110897 CCCNNQHR C34H56N16O12S3 976.3426 NA PeJP NA NA +PJ110898 GCCCKMFW C42H60N10O9S4 976.3428 NA PeJP NA NA +PJ110899 SSSSSNDMY C37H56N10O19S 976.3444 NA PeJP NA NA +PJ110900 GGGGPDEEEM C37H56N10O19S 976.3445 NA PeJP NA NA +PJ110901 SDDEYYW C45H52N8O17 976.3451 NA PeJP NA NA +PJ110902 SSNNMMMY C38H60N10O14S3 976.3453 NA PeJP NA NA +PJ110903 CNNNNDHF C38H52N14O15S 976.3458 NA PeJP NA NA +PJ110904 PCDMYYW C46H56N8O12S2 976.3459 NA PeJP NA NA +PJ110905 PPCMMMMH C39H64N10O9S5 976.3462 NA PeJP NA NA +PJ110906 GCCHWWW C47H52N12O8S2 976.3473 NA PeJP NA NA +PJ110907 SSSSSSSSMM C34H60N10O19S2 976.3478 NA PeJP NA NA +PJ110908 NNNDDDDR C34H52N14O20 976.3483 NA PeJP NA NA +PJ110909 NEEEMYY C42H56N8O17S 976.3484 NA PeJP NA NA +PJ110910 GGEEEMYY C42H56N8O17S 976.3485 NA PeJP NA NA +PJ110911 SSSTCCKMM C35H64N10O14S4 976.3487 NA PeJP NA NA +PJ110912 SCNDDMHR C35H56N14O15S2 976.3491 NA PeJP NA NA +PJ110913 GGSCDDMHR C35H56N14O15S2 976.3492 NA PeJP NA NA +PJ110914 SEMMMYW C43H60N8O12S3 976.3493 NA PeJP NA NA +PJ110915 CCCKKMMM C36H68N10O9S6 976.3495 NA PeJP NA NA +PJ110916 GSSCDHWW C43H52N12O13S 976.3498 NA PeJP NA NA +PJ110917 ACCCCRRY C36H60N14O10S4 976.35 NA PeJP NA NA +PJ110918 SPEEEEEE C38H56N8O22 976.351 NA PeJP NA NA +PJ110919 SSTEEMMY C39H60N8O17S2 976.3518 NA PeJP NA NA +PJ110920 GSSSSDDHW C39H52N12O18 976.3523 NA PeJP NA NA +PJ110921 AAEMMMMY C40H64N8O12S4 976.3527 NA PeJP NA NA +PJ110922 GSNDMMHW C40H56N12O13S2 976.3532 NA PeJP NA NA +PJ110923 GCCHHHHF C41H52N16O9S2 976.3545 NA PeJP NA NA +PJ110924 PNDDDDMR C36H56N12O18S 976.3557 NA PeJP NA NA +PJ110925 TTTMMMMM C37H68N8O12S5 976.3561 NA PeJP NA NA +PJ110926 GSPDDDWW C44H52N10O16 976.3563 NA PeJP NA NA +PJ110927 SSCCQMRY C37H60N12O13S3 976.3565 NA PeJP NA NA +PJ110928 AAAAACCEMH C37H60N12O13S3 976.3566 NA PeJP NA NA +PJ110929 SCNNEHHH C37H52N16O14S 976.357 NA PeJP NA NA +PJ110930 GPPCCEWW C45H56N10O11S2 976.3572 NA PeJP NA NA +PJ110931 GSSSSTCYW C41H56N10O16S 976.3597 NA PeJP NA NA +PJ110932 GSSCCNNHR C34H56N16O14S2 976.3604 NA PeJP NA NA +PJ110933 GSCCKMYW C42H60N10O11S3 976.3605 NA PeJP NA NA +PJ110934 ATCCCKYW C42H60N10O11S3 976.3606 NA PeJP NA NA +PJ110935 DDMHHHW C42H52N14O12S 976.361 NA PeJP NA NA +PJ110936 PCCCCHRR C35H60N16O9S4 976.3613 NA PeJP NA NA +PJ110937 GSSSSSSSEY C37H56N10O21 976.3622 NA PeJP NA NA +PJ110938 GSSSSQMMY C38H60N10O16S2 976.363 NA PeJP NA NA +PJ110939 GGASSSSMMY C38H60N10O16S2 976.3631 NA PeJP NA NA +PJ110940 SNNNNNDW C38H52N14O17 976.3635 NA PeJP NA NA +PJ110941 GGGGGGGGSNDW C38H52N14O17 976.3636 NA PeJP NA NA +PJ110942 GEEMYYW C46H56N8O14S 976.3637 NA PeJP NA NA +PJ110943 DMMMMRY C39H64N10O11S4 976.3639 NA PeJP NA NA +PJ110944 GSCCEHRW C39H56N14O12S2 976.3644 NA PeJP NA NA +PJ110945 PCMMFYW C47H60N8O9S3 976.3646 NA PeJP NA NA +PJ110946 GSTEEEYY C42H56N8O19 976.3662 NA PeJP NA NA +PJ110947 GSSSCDEHR C35H56N14O17S 976.3669 NA PeJP NA NA +PJ110948 GSPEMMYY C43H60N8O14S2 976.3671 NA PeJP NA NA +PJ110949 NNNDEWW C43H52N12O15 976.3675 NA PeJP NA NA +PJ110950 GGNNDEWW C43H52N12O15 976.3676 NA PeJP NA NA +PJ110951 SSCCCRRY C36H60N14O12S3 976.3678 NA PeJP NA NA +PJ110952 CLMMMYW C44H64N8O9S4 976.3679 NA PeJP NA NA +PJ110953 APCMMMFF C44H64N8O9S4 976.368 NA PeJP NA NA +PJ110954 SCQMHWW C44H56N12O10S2 976.3684 NA PeJP NA NA +PJ110955 PVDEEEEM C39H60N8O19S 976.3696 NA PeJP NA NA +PJ110956 ATTEMMMY C40H64N8O14S3 976.3704 NA PeJP NA NA +PJ110957 GPCDDERW C40H56N12O15S 976.3709 NA PeJP NA NA +PJ110958 GGGGGGGPPCDF C40H56N12O15S 976.371 NA PeJP NA NA +PJ110959 GVMMMMMF C41H68N8O9S5 976.3713 NA PeJP NA NA +PJ110960 NQMMMHW C41H60N12O10S3 976.3718 NA PeJP NA NA +PJ110961 GSCNHHHW C41H52N16O11S 976.3723 NA PeJP NA NA +PJ110962 PPCCWWW C49H56N10O8S2 976.3724 NA PeJP NA NA +PJ110963 GNDEEEER C36H56N12O20 976.3734 NA PeJP NA NA +PJ110964 GGGGGGGATEEE C36H56N12O20 976.3735 NA PeJP NA NA +PJ110965 GSSSSCMRY C37H60N12O15S2 976.3743 NA PeJP NA NA +PJ110966 GSSSNDHHH C37H52N16O16 976.3748 NA PeJP NA NA +PJ110967 PNDEMWW C45H56N10O13S 976.3749 NA PeJP NA NA +PJ110968 AAPCDEWW C45H56N10O13S 976.375 NA PeJP NA NA +PJ110969 ACCCKMRY C38H64N12O10S4 976.3752 NA PeJP NA NA +PJ110970 GNNMMHHH C38H56N16O11S2 976.3756 NA PeJP NA NA +PJ110971 GGGGGMMHHH C38H56N16O11S2 976.3757 NA PeJP NA NA +PJ110972 SSSSSSSYW C41H56N10O18 976.3774 NA PeJP NA NA +PJ110973 GAQEEEEW C41H56N10O18 976.3775 NA PeJP NA NA +PJ110974 CNNNNNER C34H56N16O16S 976.3781 NA PeJP NA NA +PJ110975 GGGGGGCNNER C34H56N16O16S 976.3782 NA PeJP NA NA +PJ110976 SSTCCKYW C42H60N10O13S2 976.3783 NA PeJP NA NA +HMDB02398 Crocin C44H64O24 976.37872 http://www.hmdb.ca/metabolites/HMDB02398 HMDB NA NA +HMDB02398 Crocin C44H64O24 976.37872 HMDB02398 PFEM_hmdb_metabocards_official NA NA +HMDB02398 Crocin C44H64O24 976.378723 NA HMDB2010 NA NA +MJ099014 Crocetin, [?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] diester C44H64O24 976.378752 NA MeJP NA NA +MJ099015 Jasuroside B; 10-Hydroxy, 9-deacyl C44H64O24 976.378752 NA MeJP NA NA +MJ099016 Sambacoside A; 10''-Deacyl C44H64O24 976.378752 NA MeJP NA NA +MJ099017 Sambacoside A; 5''-Deacyl C44H64O24 976.378752 NA MeJP NA NA +MJ099018 Sambacoside A; 7''-Deacyl C44H64O24 976.378752 NA MeJP NA NA +MJ099019 Sambacoside A; 8''-Epimer, 5''-deacyl C44H64O24 976.378752 NA MeJP NA NA +C08589 Crocin C44H64O24 976.3788 NA KEGG NA NA +PJ110977 GPNDDHHW C42H52N14O14 976.3788 NA PeJP NA NA +PJ110978 EMYYWW C50H56N8O11S 976.379 NA PeJP NA NA +PJ110979 SCCHRWW C43H56N14O9S2 976.3796 NA PeJP NA NA +PJ110980 PPCCHHHF C43H56N14O9S2 976.3797 NA PeJP NA NA +PJ110981 SSSSSTQMY C38H60N10O18S 976.3808 NA PeJP NA NA +PJ110982 STEEYYW C46H56N8O16 976.3814 NA PeJP NA NA +PJ110983 TTDEYYW C46H56N8O16 976.3815 NA PeJP NA NA +PJ110984 SSCQKMMY C39H64N10O13S3 976.3817 NA PeJP NA NA +PJ110985 GNNNNQMW C39H56N14O14S 976.3821 NA PeJP NA NA +PJ110986 SSSCDHRW C39H56N14O14S 976.3822 NA PeJP NA NA +PJ110987 SPMMYYW C47H60N8O11S2 976.3823 NA PeJP NA NA +PJ110988 MMMMMFR C40H68N10O8S5 976.3826 NA PeJP NA NA +PJ110989 GNNDWWW C47H52N12O12 976.3828 NA PeJP NA NA +PJ110990 CNMMHRW C40H60N14O9S3 976.383 NA PeJP NA NA +PJ110991 GSSSSSSNQH C35H56N14O19 976.3846 NA PeJP NA NA +PJ110992 GDDDDERR C35H56N14O19 976.3847 NA PeJP NA NA +PJ110993 DKEEMYY C43H60N8O16S 976.3848 NA PeJP NA NA +PJ110994 SSNDMMHR C36H60N14O14S2 976.3855 NA PeJP NA NA +PJ110995 GGGGGGPCEMR C36H60N14O14S2 976.3856 NA PeJP NA NA +PJ110996 AAPMMMYY C44H64N8O11S3 976.3857 NA PeJP NA NA +PJ110997 NNNNNNHH C36H52N18O15 976.386 NA PeJP NA NA +PJ110998 PCDDRWW C44H56N12O12S 976.3862 NA PeJP NA NA +PJ110999 PCCCKMHR C37H64N14O9S4 976.3864 NA PeJP NA NA +PJ111000 GCCQHHHR C37H56N18O10S2 976.3869 NA PeJP NA NA +PJ111001 ALEEEEEE C39H60N8O21 976.3873 NA PeJP NA NA +PJ111002 VVDEEEEE C39H60N8O21 976.3874 NA PeJP NA NA +PJ111003 TTTTEMMY C40H64N8O16S2 976.3882 NA PeJP NA NA +PJ111004 NDEEERW C40H56N12O17 976.3887 NA PeJP NA NA +PJ111005 GTLMMMMY C41H68N8O11S4 976.3891 NA PeJP NA NA +PJ111006 SPPCCERW C41H60N12O12S2 976.3895 NA PeJP NA NA +PJ111007 PPTCCDRW C41H60N12O12S2 976.3896 NA PeJP NA NA +PJ111008 GNNDHHHF C41H52N16O13 976.39 NA PeJP NA NA +PJ111009 GPDMWWW C49H56N10O10S 976.3902 NA PeJP NA NA +PJ111010 SSSSSTCRY C37H60N12O17S 976.392 NA PeJP NA NA +PJ111011 SPNDEEMR C37H60N12O17S 976.3921 NA PeJP NA NA +PJ111012 AQEEEWW C45H56N10O15 976.3927 NA PeJP NA NA +PJ111013 SSCCKMRY C38H64N12O12S3 976.3929 NA PeJP NA NA +PJ111014 GCNNNNRW C38H56N16O13S 976.3934 NA PeJP NA NA +PJ111015 GPPTCMWW C46H60N10O10S2 976.3936 NA PeJP NA NA +MJ099020 Chromocyclomycin C48H64O21 976.394009 NA MeJP NA NA +PJ111016 GSSNNNNDR C34H56N16O18 976.3959 NA PeJP NA NA +PJ111017 GPTQEEMW C42H60N10O15S 976.3961 NA PeJP NA NA +PJ111018 GPEYYYW C50H56N8O13 976.3967 NA PeJP NA NA +PJ111019 SSCCEHRR C35H60N16O13S2 976.3968 NA PeJP NA NA +PJ111020 LEMMMHW C43H64N10O10S3 976.3969 NA PeJP NA NA +PJ111021 GGAPPMMMW C43H64N10O10S3 976.397 NA PeJP NA NA +PJ111022 CNDHFRW C43H56N14O11S 976.3974 NA PeJP NA NA +PJ111023 PCMFFFW C51H60N8O8S2 976.3976 NA PeJP NA NA +PJ111024 ASSSSSSTTY C38H60N10O20 976.3985 NA PeJP NA NA +PJ111025 GSSSSSTTTY C38H60N10O20 976.3986 NA PeJP NA NA +PJ111026 GSSSSKMMY C39H64N10O15S2 976.3994 NA PeJP NA NA +PJ111027 GGPVQEEMM C39H64N10O15S2 976.3995 NA PeJP NA NA +PJ111028 DDDDRRW C39H56N14O16 976.3999 NA PeJP NA NA +PJ111029 GGGGGGGGGGGAPY C39H56N14O16 976.4 NA PeJP NA NA +MJ099021 N-[[4-(Sulfooxy)phenyl]acetyl]norleucylglycyltryptophylnorleucyl-N-methyl-?-aspartylphenylalaninamide C47H60N8O13S 976.400054 NA MeJP NA NA +PJ111030 SVEMYYW C47H60N8O13S 976.4001 NA PeJP NA NA +PJ111031 ACCKKMMY C40H68N10O10S4 976.4003 NA PeJP NA NA +PJ111032 GSTCMHRW C40H60N14O11S2 976.4008 NA PeJP NA NA +PJ111033 CLMMFFW C48H64N8O8S3 976.401 NA PeJP NA NA +PJ111034 GSEHHHHH C40H52N18O12 976.4013 NA PeJP NA NA +PJ111035 GNMHFWW C48H56N12O9S 976.4014 NA PeJP NA NA +PJ111036 SSSLEEYY C43H60N8O18 976.4026 NA PeJP NA NA +PJ111037 SPCDDERR C36H60N14O16S 976.4033 NA PeJP NA NA +PJ111038 LQEMMYY C44H64N8O13S2 976.4035 NA PeJP NA NA +PJ111039 GDEERWW C44H56N12O14 976.4039 NA PeJP NA NA +PJ111040 GGGGGATEWW C44H56N12O14 976.404 NA PeJP NA NA +PJ111041 PPCCDMRR C37H64N14O11S3 976.4042 NA PeJP NA NA +PJ111042 SSCNHHHR C37H56N18O12S 976.4046 NA PeJP NA NA +PJ111043 SCKMHWW C45H60N12O9S2 976.4048 NA PeJP NA NA +PJ111044 PTLEEEEM C40H64N8O18S 976.406 NA PeJP NA NA +MJ099022 RA-V; 1''S-Acetoxy, 5''-O-?-D-glucopyranoside C48H60N6O16 976.406579 NA MeJP NA NA +MJ099023 RA-X; 5''-De-O-Me, 5''-O-?-D-glucopyranoside C48H60N6O16 976.406579 NA MeJP NA NA +PJ111045 STTLMMMY C41H68N8O13S3 976.4068 NA PeJP NA NA +PJ111046 GSPDEMRW C41H60N12O14S 976.4073 NA PeJP NA NA +PJ111047 GNQFYYW C49H56N10O12 976.4079 NA PeJP NA NA +PJ111048 AAEEWWW C49H56N10O12 976.408 NA PeJP NA NA +PJ111049 GPPCMMRW C42H64N12O9S3 976.4082 NA PeJP NA NA +PJ111050 GTQEEEER C37H60N12O19 976.4098 NA PeJP NA NA +PJ111051 GPQEEMMR C38H64N12O14S2 976.4107 NA PeJP NA NA +PJ111052 GSSSTQHHH C38H56N16O15 976.4111 NA PeJP NA NA +PJ111053 SPNDDHHR C38H56N16O15 976.4112 NA PeJP NA NA +PJ111054 PTQEMWW C46H60N10O12S 976.4113 NA PeJP NA NA +PJ111055 PCCKKMMH C39H68N12O9S4 976.4116 NA PeJP NA NA +PJ111056 PYYYWW C54H56N8O10 976.412 NA PeJP NA NA +PJ111057 QKEEEEW C42H60N10O17 976.4138 NA PeJP NA NA +PJ111058 GGGGPVEEEF C42H60N10O17 976.4139 NA PeJP NA NA +PJ111059 GNNDDMRR C35H60N16O15S 976.4145 NA PeJP NA NA +PJ111060 GGGGGGGGGGTMR C35H60N16O15S 976.4146 NA PeJP NA NA +PJ111061 GPVQEMMW C43H64N10O12S2 976.4147 NA PeJP NA NA +PJ111062 SNNDRWW C43H56N14O13 976.4152 NA PeJP NA NA +PJ111063 APMFYYW C51H60N8O10S 976.4153 NA PeJP NA NA +PJ111064 VCEFFFW C51H60N8O10S 976.4154 NA PeJP NA NA +PJ111065 VMMHHHW C44H60N14O8S2 976.416 NA PeJP NA NA +PJ111066 SHHHHHW C44H52N18O9 976.4165 NA PeJP NA NA +PJ111067 SSSSSTKMY C39H64N10O17S 976.4172 NA PeJP NA NA +PJ111068 PDKEYYY C47H60N8O15 976.4178 NA PeJP NA NA +PJ111069 GGLEEFYY C47H60N8O15 976.4179 NA PeJP NA NA +PJ111070 SSCKKMMY C40H68N10O12S3 976.4181 NA PeJP NA NA +PJ111071 SSSSMHRW C40H60N14O13S 976.4185 NA PeJP NA NA +PJ111072 GGGGQEMRW C40H60N14O13S 976.4186 NA PeJP NA NA +PJ111073 ALMMYYW C48H64N8O10S2 976.4187 NA PeJP NA NA +PJ111074 DERWWW C48H56N12O11 976.4192 NA PeJP NA NA +PJ111075 AAMHHHHH C41H56N18O9S 976.4199 NA PeJP NA NA +PJ111076 ATDDDERR C36H60N14O18 976.421 NA PeJP NA NA +PJ111077 GSDEEERR C36H60N14O18 976.4211 NA PeJP NA NA +PJ111078 GTTLEMYY C44H64N8O15S 976.4212 NA PeJP NA NA +PJ111079 GPDDMMRR C37H64N14O13S2 976.4219 NA PeJP NA NA +PJ111080 AALMMMFY C45H68N8O10S3 976.4221 NA PeJP NA NA +PJ111081 GNNNEHHR C37H56N18O14 976.4224 NA PeJP NA NA +PJ111082 AQQQMWW C45H60N12O11S 976.4225 NA PeJP NA NA +PJ111083 SPDMRWW C45H60N12O11S 976.4226 NA PeJP NA NA +PJ111084 VDWWWW C53H56N10O9 976.4232 NA PeJP NA NA +PJ111085 GCCKHHHR C38H60N18O9S2 976.4233 NA PeJP NA NA +PJ111086 SLLEEEEE C40H64N8O20 976.4237 NA PeJP NA NA +PJ111087 PVLEEEMM C41H68N8O15S2 976.4246 NA PeJP NA NA +PJ111088 SSSSSSLHW C41H60N12O16 976.425 NA PeJP NA NA +PJ111089 TQEEERW C41H60N12O16 976.4251 NA PeJP NA NA +PJ111090 SCNNNNRR C34H60N18O14S 976.4257 NA PeJP NA NA +PJ111091 GGSCNNNRR C34H60N18O14S 976.4258 NA PeJP NA NA +PJ111092 PQEMMRW C42H64N12O11S2 976.4259 NA PeJP NA NA +PJ111093 GGGGGPKMMW C42H64N12O11S2 976.426 NA PeJP NA NA +PJ111094 NQQQHHW C42H56N16O12 976.4264 NA PeJP NA NA +PJ111095 APTMWWW C50H60N10O9S 976.4266 NA PeJP NA NA +PJ111096 GVQEEEMR C38H64N12O16S 976.4284 NA PeJP NA NA +PJ111097 GGGLEEEMR C38H64N12O16S 976.4285 NA PeJP NA NA +PJ111098 AKEEEWW C46H60N10O14 976.4291 NA PeJP NA NA +PJ111099 SPPQMMMR C39H68N12O11S3 976.4293 NA PeJP NA NA +PJ111100 CNNERRW C39H60N16O12S 976.4298 NA PeJP NA NA +PJ111101 PVQMMWW C47H64N10O9S2 976.43 NA PeJP NA NA +PJ111102 SPQHHWW C47H56N14O10 976.4304 NA PeJP NA NA +PJ111103 SSNNDERR C35H60N16O17 976.4323 NA PeJP NA NA +PJ111104 GSPPTTTMW C43H64N10O14S 976.4324 NA PeJP NA NA +PJ111105 GPTKEEMW C43H64N10O14S 976.4325 NA PeJP NA NA +PJ111106 SPVYYYW C51H60N8O12 976.4331 NA PeJP NA NA +PJ111107 GGSPCNMRR C36H64N16O12S2 976.4332 NA PeJP NA NA +PJ111108 GPPKMMMW C44H68N10O9S3 976.4333 NA PeJP NA NA +PJ111109 GNQMRWW C44H60N14O10S 976.4338 NA PeJP NA NA +PJ111110 GHHFFFW C52H56N12O8 976.4345 NA PeJP NA NA +3104 fragment of beta-amyloid protein:1-16 DAEFRHDSGYQVHHQK 976.4349 MH2+ Inhouse_peptide NA peptide +PJ111111 SSSPTLQEE C39H64N10O19 976.4349 NA PeJP NA NA +PJ111112 GKKEEEEE C39H64N10O19 976.435 NA PeJP NA NA +PJ111113 PVNKEEMM C40H68N10O14S2 976.4358 NA PeJP NA NA +PJ111114 SDEERRW C40H60N14O15 976.4363 NA PeJP NA NA +PJ111115 TTLMYYW C48H64N8O12S 976.4365 NA PeJP NA NA +PJ111116 ALLMMMMH C41H72N10O9S4 976.4367 NA PeJP NA NA +PJ111117 PCEMRRW C41H64N14O10S2 976.4372 NA PeJP NA NA +PJ111118 NNNHHRW C41H56N18O11 976.4376 NA PeJP NA NA +PJ111119 GGGGNHHRW C41H56N18O11 976.4377 NA PeJP NA NA +PJ111120 ACKHFWW C49H60N12O8S 976.4378 NA PeJP NA NA +PJ111121 STTTLEYY C44H64N8O17 976.439 NA PeJP NA NA +PJ111122 QEEEMRR C37H64N14O15S 976.4397 NA PeJP NA NA +PJ111123 LKEMMYY C45H68N8O12S2 976.4398 NA PeJP NA NA +PJ111124 PPPLEMMY C45H68N8O12S2 976.4399 NA PeJP NA NA +PJ111125 ATEERWW C45H60N12O13 976.4403 NA PeJP NA NA +PJ111126 GGGGGGGAPPFF C45H60N12O13 976.4404 NA PeJP NA NA +PJ111127 SPPCMMRR C38H68N14O10S3 976.4405 NA PeJP NA NA +PJ111128 GACCCKKKH C38H68N14O10S3 976.4406 NA PeJP NA NA +PJ111129 GPCDHHRR C38H60N18O11S 976.441 NA PeJP NA NA +PJ111130 APMMRWW C46H64N12O8S2 976.4412 NA PeJP NA NA +PJ111131 VVLEEEEM C41H68N8O17S 976.4424 NA PeJP NA NA +PJ111132 VQEEMRW C42H64N12O13S 976.4437 NA PeJP NA NA +PJ111133 GTLEWWW C50H60N10O11 976.4443 NA PeJP NA NA +PJ111134 GGPVEFWW C50H60N10O11 976.4444 NA PeJP NA NA +PJ111135 GCNRRWW C43H60N16O9S 976.445 NA PeJP NA NA +PJ111136 GTKEEEER C38H64N12O18 976.4462 NA PeJP NA NA +PJ111137 GPKEEMMR C39H68N12O13S2 976.4471 NA PeJP NA NA +PJ111138 GSSNDRRW C39H60N16O14 976.4475 NA PeJP NA NA +PJ111139 GGGGGGGQQFR C39H60N16O14 976.4476 NA PeJP NA NA +PJ111140 PTKEMWW C47H64N10O11S 976.4477 NA PeJP NA NA +PJ111141 LFYYWW C55H60N8O9 976.4484 NA PeJP NA NA +PJ111142 KKEEEEW C43H64N10O16 976.4502 NA PeJP NA NA +PJ111143 DDEMRRR C36H64N16O14S 976.4509 NA PeJP NA NA +PJ111144 GPVKEMMW C44H68N10O11S2 976.4511 NA PeJP NA NA +PJ111145 SSQQRWW C44H60N14O12 976.4515 NA PeJP NA NA +PJ111146 GGSTQRWW C44H60N14O12 976.4516 NA PeJP NA NA +PJ111147 ALMFFYW C52H64N8O9S 976.4517 NA PeJP NA NA +PJ111148 SPKKEEEM C40H68N10O16S 976.4536 NA PeJP NA NA +PJ111149 VLQEYYY C48H64N8O14 976.4542 NA PeJP NA NA +PJ111150 TTLLMMMH C41H72N10O11S3 976.4545 NA PeJP NA NA +PJ111151 AEEMRRW C41H64N14O12S 976.4549 NA PeJP NA NA +PJ111152 GGGGGGACKKW C41H64N14O12S 976.455 NA PeJP NA NA +PJ111153 AALMMFFF C49H68N8O9S2 976.4551 NA PeJP NA NA +PJ111154 GSQKWWW C49H60N12O10 976.4556 NA PeJP NA NA +PJ111155 GTTEEERR C37H64N14O17 976.4574 NA PeJP NA NA +PJ111156 GGGGGGGSSKKE C37H64N14O17 976.4575 NA PeJP NA NA +PJ111157 SSTLLMYY C45H68N8O14S 976.4576 NA PeJP NA NA +PJ111158 GPTEMMRR C38H68N14O12S2 976.4583 NA PeJP NA NA +PJ111159 NEEHHRR C38H60N18O13 976.4588 NA PeJP NA NA +PJ111160 AVEMRWW C46H64N12O10S 976.4589 NA PeJP NA NA +PJ111161 GLEMRWW C46H64N12O10S 976.459 NA PeJP NA NA +PJ111162 TLWWWW C54H60N10O8 976.4596 NA PeJP NA NA +PJ111163 TKEEERW C42H64N12O15 976.4614 NA PeJP NA NA +PJ111164 GSTLEERW C42H64N12O15 976.4615 NA PeJP NA NA +PJ111165 GSCNERRR C35H64N18O13S 976.4621 NA PeJP NA NA +PJ111166 GGGSCERRR C35H64N18O13S 976.4622 NA PeJP NA NA +PJ111167 PKEMMRW C43H68N12O10S2 976.4623 NA PeJP NA NA +PJ111168 VNEHHRW C43H60N16O11 976.4628 NA PeJP NA NA +PJ111169 GVLMWWW C51H64N10O8S 976.463 NA PeJP NA NA +PJ111170 GVKEEEMR C39H68N12O15S 976.4648 NA PeJP NA NA +PJ111171 SLKEEWW C47H64N10O13 976.4655 NA PeJP NA NA +PJ111172 SPPKMMMR C40H72N12O10S3 976.4657 NA PeJP NA NA +PJ111173 SQMHRRY C40H64N16O11S 976.4661 NA PeJP NA NA +PJ111174 SNQMRRW C40H64N16O11S 976.4662 NA PeJP NA NA +PJ111175 PVKMMWW C48H68N10O8S2 976.4663 NA PeJP NA NA +PJ111176 SPKHHWW C48H60N14O9 976.4668 NA PeJP NA NA +PJ111177 SSSQQERR C36H64N16O16 976.4687 NA PeJP NA NA +PJ111178 AVVDKEMW C44H68N10O13S 976.4688 NA PeJP NA NA +PJ111179 AALKEEMW C44H68N10O13S 976.4689 NA PeJP NA NA +PJ111180 GLLYYYW C52H64N8O11 976.4695 NA PeJP NA NA +PJ111181 GGGGGVMMRR C37H68N16O11S2 976.4696 NA PeJP NA NA +PJ111182 GSNNHHRR C37H60N20O12 976.47 NA PeJP NA NA +PJ111183 GNKMRWW C45H64N14O9S 976.4702 NA PeJP NA NA +PJ111184 PFRWWW C53H60N12O7 976.4708 NA PeJP NA NA +PJ111185 TTLQKEEE C40H68N10O18 976.4713 NA PeJP NA NA +PJ111186 SVKKEEEE C40H68N10O18 976.4714 NA PeJP NA NA +PJ111187 PVDKKEMM C41H72N10O13S2 976.4722 NA PeJP NA NA +PJ111188 TTEERRW C41H64N14O14 976.4727 NA PeJP NA NA +PJ111189 PLKMYYY C49H68N8O11S 976.4729 NA PeJP NA NA +PJ111190 PTMMRRW C42H68N14O9S2 976.4736 NA PeJP NA NA +PJ111191 GEHHRRW C42H60N18O10 976.474 NA PeJP NA NA +PJ111192 LMRWWW C50H64N12O7S 976.4742 NA PeJP NA NA +PJ111193 PVVLEEEY C45H68N8O16 976.4754 NA PeJP NA NA +PJ111194 ASQQKEMR C38H68N14O14S 976.476 NA PeJP NA NA +PJ111195 KEEEMRR C38H68N14O14S 976.4761 NA PeJP NA NA +PJ111196 PPLLEMMF C46H72N8O11S2 976.4762 NA PeJP NA NA +PJ111197 STLERWW C46H64N12O12 976.4767 NA PeJP NA NA +PJ111198 GPVMMMRR C39H72N14O9S3 976.4769 NA PeJP NA NA +PJ111199 SCNRRRW C39H64N18O10S 976.4774 NA PeJP NA NA +PJ111200 GVHHRWW C47H60N16O8 976.4781 NA PeJP NA NA +PJ111201 TLLLEEEM C42H72N8O16S 976.4787 NA PeJP NA NA +PJ111202 PLLLEMMM C43H76N8O11S3 976.4796 NA PeJP NA NA +PJ111203 SSSNDRRR C35H64N18O15 976.4799 NA PeJP NA NA +PJ111204 VKEEMRW C43H68N12O12S 976.4801 NA PeJP NA NA +PJ111205 SSLLWWW C51H64N10O10 976.4807 NA PeJP NA NA +PJ111206 NNMMRRR C36H68N18O10S2 976.4808 NA PeJP NA NA +PJ111207 LMHHHFR C44H64N16O8S 976.4814 NA PeJP NA NA +PJ111208 SSLKEEER C39H68N12O17 976.4826 NA PeJP NA NA +PJ111209 PTTLQMMR C40H72N12O12S2 976.4834 NA PeJP NA NA +PJ111210 SPVKEMMR C40H72N12O12S2 976.4835 NA PeJP NA NA +PJ111211 GSSTQRRW C40H64N16O13 976.4839 NA PeJP NA NA +PJ111212 GGGGGGGGAKFR C40H64N16O13 976.484 NA PeJP NA NA +PJ111213 VVKEMWW C48H68N10O10S 976.4841 NA PeJP NA NA +PJ111214 ALFFFFW C56H64N8O8 976.4848 NA PeJP NA NA +PJ111215 ATTLKEEW C44H68N10O15 976.4866 NA PeJP NA NA +PJ111216 TEEMRRR C37H68N16O13S 976.4873 NA PeJP NA NA +PJ111217 APTLKMMW C45H72N10O10S2 976.4875 NA PeJP NA NA +PJ111218 SSQKRWW C45H64N14O11 976.4879 NA PeJP NA NA +MJ099024 12-Oleanene-3,15,16,21,22,28-hexol, 3-O-[?-L-Arabinopyranosyl-[(1?2) or (1?3)]-?-D-glucopyranosyl-[(1?3) or (1?2)]-?-D-glucopyranosiduronate] C47H76O21 976.487909 NA MeJP NA NA +PJ111219 AAAAANFRW C45H64N14O11 976.488 NA PeJP NA NA +PJ111220 PMMMRRR C38H72N16O8S3 976.4882 NA PeJP NA NA +PJ111221 HHRRWW C46H60N18O7 976.4893 NA PeJP NA NA +PJ111222 ALKKEEEM C41H72N10O15S 976.49 NA PeJP NA NA +PJ111223 VLKEYYY C49H68N8O13 976.4906 NA PeJP NA NA +PJ111224 PVLQKMMM C42H76N10O10S3 976.4908 NA PeJP NA NA +PJ111225 AAPVVKMMM C42H76N10O10S3 976.4909 NA PeJP NA NA +PJ111226 SLEMRRW C42H68N14O11S 976.4913 NA PeJP NA NA +PJ111227 GSKKWWW C50H64N12O9 976.492 NA PeJP NA NA +PJ111228 SSTLEERR C38H68N14O16 976.4938 NA PeJP NA NA +PJ111229 PVLLEEMF C46H72N8O13S 976.494 NA PeJP NA NA +PJ111230 AALEMMRR C39H72N14O11S2 976.4947 NA PeJP NA NA +PJ111231 NNDFRRR C39H64N18O12 976.4952 NA PeJP NA NA +PJ111232 SVLMRWW C47H68N12O9S 976.4953 NA PeJP NA NA +PJ111233 VLLLEEMM C43H76N8O13S2 976.4974 NA PeJP NA NA +PJ111234 SSSLLERW C43H68N12O14 976.4978 NA PeJP NA NA +PJ111235 GGGAAPKKEY C43H68N12O14 976.4979 NA PeJP NA NA +PJ111236 GSSQMRRR C36H68N18O12S 976.4985 NA PeJP NA NA +PJ111237 LLQMMRW C44H72N12O9S2 976.4987 NA PeJP NA NA +PJ111238 GQQFRRW C44H64N16O10 976.4992 NA PeJP NA NA +PJ111239 ATLKEEMR C40H72N12O14S 976.5012 NA PeJP NA NA +PJ111240 ASPLLQYW C48H68N10O12 976.5018 NA PeJP NA NA +PJ111241 GTTTLLWW C48H68N10O12 976.5019 NA PeJP NA NA +PJ111242 APLKMMMR C41H76N12O9S3 976.5021 NA PeJP NA NA +PJ111243 SNKMRRW C41H68N16O10S 976.5025 NA PeJP NA NA +PJ111244 GGSKMRRW C41H68N16O10S 976.5026 NA PeJP NA NA +MJ099025 Pregn-5-ene-3,8,12,14,17,20-hexol, 20-Benzoyl, 12-Ac, 3-O-[?-D-thevetopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] C51H76O18 976.503165 NA MeJP NA NA +PJ111245 PPVHRWW C49H64N14O8 976.5032 NA PeJP NA NA +PJ111246 SSSQKERR C37H68N16O15 976.505 NA PeJP NA NA +PJ111247 AASSSDKRR C37H68N16O15 976.5051 NA PeJP NA NA +PJ111248 GTLLKEMW C45H72N10O12S 976.5052 NA PeJP NA NA +PJ111249 PLKFFYY C53H68N8O10 976.5059 NA PeJP NA NA +PJ111250 SEHHRRR C38H64N20O11 976.5064 NA PeJP NA NA +PJ111251 ACKKRWW C46H68N14O8S 976.5066 NA PeJP NA NA +PJ111252 TTLKKEEE C41H72N10O17 976.5077 NA PeJP NA NA +PJ111253 PTLKKEMM C42H76N10O12S2 976.5086 NA PeJP NA NA +PJ111254 GSSKKERW C42H68N14O13 976.5091 NA PeJP NA NA +PJ111255 LLKMFYY C50H72N8O10S 976.5092 NA PeJP NA NA +PJ111256 PPPLLMFY C50H72N8O10S 976.5093 NA PeJP NA NA +PJ111257 GSSCRRRR C35H68N20O11S 976.5098 NA PeJP NA NA +PJ111258 VVMMRRW C43H72N14O8S2 976.5099 NA PeJP NA NA +PJ111259 SVHHRRW C43H64N18O9 976.5104 NA PeJP NA NA +PJ111260 PTLLLEEY C46H72N8O15 976.5118 NA PeJP NA NA +PJ111261 ATTLEMRR C39H72N14O13S 976.5124 NA PeJP NA NA +PJ111262 GDDKKKMR C39H72N14O13S 976.5125 NA PeJP NA NA +PJ111263 PPLLLMMY C47H76N8O10S2 976.5126 NA PeJP NA NA +2607 synthetic peptide inhibitors of (PEP) LYPFVEPI 976.513 NA Inhouse_peptide NA peptide +PJ111264 SDKKKWW C47H68N12O11 976.5131 NA PeJP NA NA +PJ111265 LQMHHRR C40H68N18O9S 976.5138 NA PeJP NA NA +PJ111266 SSSTQRRR C36H68N18O14 976.5163 NA PeJP NA NA +PJ111267 GTTLLMRW C44H72N12O11S 976.5165 NA PeJP NA NA +PJ111268 PVVKYWW C52H68N10O9 976.5171 NA PeJP NA NA +PJ111269 CQKMRRR C37H72N18O9S2 976.5172 NA PeJP NA NA +PJ111270 SPTTTTTLR C40H72N12O16 976.5189 NA PeJP NA NA +PJ111271 TTTLKEER C40H72N12O16 976.519 NA PeJP NA NA +PJ111272 GLLKEMMR C41H76N12O11S2 976.5198 NA PeJP NA NA +PJ111273 GGGGVLKKMM C41H76N12O11S2 976.5199 NA PeJP NA NA +PJ111274 GSSTKRRW C41H68N16O12 976.5203 NA PeJP NA NA +PJ111275 TLLKMWW C49H72N10O9S 976.5205 NA PeJP NA NA +PJ111276 STTLLKEW C45H72N10O14 976.523 NA PeJP NA NA +PJ111277 GSDKKMRR C38H72N16O12S 976.5237 NA PeJP NA NA +PJ111278 GVLLKMMW C46H76N10O9S2 976.5239 NA PeJP NA NA +MJ099026 3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one, 3-O-[?-L-Rhamnopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] C48H80O20 976.524295 NA MeJP NA NA +MJ099027 Furostane-3,17,22,26-tetrol, 22-Me ether, 26-Ac, 3-O-[?-L-rhamnopyranosyl-(1?2)[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] C48H80O20 976.524295 NA MeJP NA NA +PJ111279 SSKKRWW C46H68N14O10 976.5243 NA PeJP NA NA +PJ111280 CLHHRRR C39H68N20O8S 976.525 NA PeJP NA NA +PJ111281 ASTTLLLQM C42H76N10O14S 976.5263 NA PeJP NA NA +PJ111282 SLLKKEEM C42H76N10O14S 976.5264 NA PeJP NA NA +PJ111283 PPVLLEFY C50H72N8O12 976.527 NA PeJP NA NA +PJ111284 PVLKKMMM C43H80N10O9S3 976.5272 NA PeJP NA NA +PJ111285 TQKKMRW C43H72N14O10S 976.5277 NA PeJP NA NA +PJ111286 GLLFRWW C51H68N12O8 976.5284 NA PeJP NA NA +PJ111287 TTTTLERR C39H72N14O15 976.5302 NA PeJP NA NA +PJ111288 PVLLLEMY C47H76N8O12S 976.5304 NA PeJP NA NA +PJ111289 GTLLMMRR C40H76N14O10S2 976.5311 NA PeJP NA NA +PJ111290 AQQRRRY C40H68N18O11 976.5315 NA PeJP NA NA +PJ111291 GGGGVRRRY C40H68N18O11 976.5316 NA PeJP NA NA +PJ111292 AKKKMWW C48H72N12O8S 976.5317 NA PeJP NA NA +PJ111293 STTTLLRW C44H72N12O13 976.5342 NA PeJP NA NA +PJ111294 GGGGGGPPPVLL C44H72N12O13 976.5343 NA PeJP NA NA +PJ111295 GSSKMRRR C37H72N18O11S 976.5349 NA PeJP NA NA +PJ111296 LLKMMRW C45H76N12O8S2 976.5351 NA PeJP NA NA +PJ111297 GQKFRRW C45H68N16O9 976.5356 NA PeJP NA NA +PJ111298 STLLKEMR C41H76N12O13S 976.5376 NA PeJP NA NA +PJ111299 GPTLLKYW C49H72N10O11 976.5382 NA PeJP NA NA +PJ111300 GGGVLLLYW C49H72N10O11 976.5383 NA PeJP NA NA +PJ111301 TCKKRRW C42H72N16O9S 976.5389 NA PeJP NA NA +PJ111302 SSSKKERR C38H72N16O14 976.5414 NA PeJP NA NA +PJ111303 SSLLLKMW C46H76N10O11S 976.5416 NA PeJP NA NA +PJ111304 LLKFFFY C54H72N8O9 976.5423 NA PeJP NA NA +PJ111305 GNRRRRY C39H68N20O10 976.5428 NA PeJP NA NA +PJ111306 SSSTLLLKE C42H76N10O16 976.5441 NA PeJP NA NA +PJ111307 VVLKKEMM C43H80N10O11S2 976.545 NA PeJP NA NA +PJ111308 SPTTLFRR C43H72N14O12 976.5454 NA PeJP NA NA +PJ111309 GTTTKKRW C43H72N14O12 976.5455 NA PeJP NA NA +MJ099028 Cyclolinopeptide E C51H76N8O9S 976.545596 NA MeJP NA NA +PJ111310 PPLLLMFF C51H76N8O9S 976.5456 NA PeJP NA NA +PJ111311 PKHHFRR C44H68N18O8 976.5468 NA PeJP NA NA +MJ099029 Antibiotic A 83586C C47H76N8O14 976.548099 NA MeJP NA NA +PJ111312 VVLLLEEY C47H76N8O14 976.5481 NA PeJP NA NA +PJ111313 STTLLMRR C40H76N14O12S 976.5488 NA PeJP NA NA +PJ111314 PLLLLMMF C48H80N8O9S2 976.549 NA PeJP NA NA +PJ111315 TTKKKWW C48H72N12O10 976.5495 NA PeJP NA NA +PJ111316 LKMHHRR C41H72N18O8S 976.5502 NA PeJP NA NA +PJ111317 LLLLLMMM C45H84N8O9S3 976.5524 NA PeJP NA NA +PJ111318 SSSTKRRR C37H72N18O13 976.5527 NA PeJP NA NA +PJ111319 KKKKEMW C45H76N12O10S 976.5529 NA PeJP NA NA +PJ111320 VVLKFWW C53H72N10O8 976.5535 NA PeJP NA NA +PJ111321 SSSTTLLLR C41H76N12O15 976.5553 NA PeJP NA NA +PJ111322 GSSTLKKKE C41H76N12O15 976.5554 NA PeJP NA NA +PJ111323 SVLLKMMR C42H80N12O10S2 976.5562 NA PeJP NA NA +PJ111324 VVERRRY C42H72N16O11 976.5567 NA PeJP NA NA +PJ111325 SPLLKKEY C46H76N10O13 976.5594 NA PeJP NA NA +PJ111326 GTTKKMRR C39H76N16O11S 976.5601 NA PeJP NA NA +PJ111327 ALLRRYW C47H72N14O9 976.5607 NA PeJP NA NA +PJ111328 GTTTLLLKM C43H80N10O13S 976.5627 NA PeJP NA NA +PJ111329 PPVLLLYY C51H76N8O11 976.5634 NA PeJP NA NA +PJ111330 TKKKMRW C44H76N14O9S 976.5641 NA PeJP NA NA +PJ111331 STTKKKER C40H76N14O14 976.5666 NA PeJP NA NA +PJ111332 VLLLLEMF C48H80N8O11S 976.5668 NA PeJP NA NA +PJ111333 GVKKKMMR C41H80N14O9S2 976.5675 NA PeJP NA NA +PJ111334 AQKRRRY C41H72N18O10 976.5679 NA PeJP NA NA +PJ111335 SSTLKKKW C45H76N12O12 976.5706 NA PeJP NA NA +PJ111336 PLLHRRW C46H72N16O8 976.5719 NA PeJP NA NA +PJ111337 GKKFRRW C46H72N16O8 976.572 NA PeJP NA NA +MJ099030 Crellastatin L C57H84O11S 976.573434 NA MeJP NA NA +PJ111338 SVKKKKEM C42H80N12O12S 976.574 NA PeJP NA NA +PJ111339 AALLLKYW C50H76N10O10 976.5746 NA PeJP NA NA +PJ111340 VLMFRRR C43H76N16O8S 976.5753 NA PeJP NA NA +PJ111341 STTTKKRR C39H76N16O13 976.5778 NA PeJP NA NA +PJ111342 PVVLKKMY C47H80N10O10S 976.578 NA PeJP NA NA +PJ111343 KKKMMRR C40H80N16O8S2 976.5787 NA PeJP NA NA +PJ111344 PQKHRRR C40H72N20O9 976.5792 NA PeJP NA NA +PJ111345 STTTTLLLK C43H80N10O15 976.5805 NA PeJP NA NA +PJ111346 TLLLKKMM C44H84N10O10S2 976.5814 NA PeJP NA NA +PJ111347 LLKERRY C44H76N14O11 976.5818 NA PeJP NA NA +PJ111348 GGGVLKKRY C44H76N14O11 976.5819 NA PeJP NA NA +MJ099031 Apramide A C52H80N8O8S 976.581982 NA MeJP NA NA +PJ111349 TLLLLLEY C48H80N8O13 976.5845 NA PeJP NA NA +PJ111350 SSLKKKMR C41H80N14O11S 976.5852 NA PeJP NA NA +PJ111351 VLLKRYW C49H76N12O9 976.5859 NA PeJP NA NA +PJ111352 GLLLKMFR C46H80N12O9S 976.5892 NA PeJP NA NA +PJ111353 SSSSLLKKK C42H80N12O14 976.5917 NA PeJP NA NA +PJ111354 ALKKKKMM C43H84N12O9S2 976.5926 NA PeJP NA NA +PJ111355 TLLRRRY C43H76N16O10 976.5931 NA PeJP NA NA +PJ111356 ALLLKKEY C47H80N10O12 976.5958 NA PeJP NA NA +PJ111357 PVLLLLFY C52H80N8O10 976.5998 NA PeJP NA NA +PJ111358 GSSSKKKKK C41H80N14O13 976.603 NA PeJP NA NA +PJ111359 VLLLLLMY C49H84N8O10S 976.6032 NA PeJP NA NA +PJ111360 AKKRRRY C42H76N18O9 976.6043 NA PeJP NA NA +PJ111361 ATLLLKRY C46H80N12O11 976.607 NA PeJP NA NA +PJ111362 TTLKKKKM C43H84N12O11S 976.6104 NA PeJP NA NA +PJ111363 PVVLKKFF C51H80N10O9 976.611 NA PeJP NA NA +PJ111364 VVLLKKMF C48H84N10O9S 976.6144 NA PeJP NA NA +PJ111365 PKKHRRR C41H76N20O8 976.6156 NA PeJP NA NA +PJ111366 AALKKKRY C45H80N14O10 976.6182 NA PeJP NA NA +PJ111367 SCKKKKKK C42H84N14O10S 976.6216 NA PeJP NA NA +PJ111368 LKKKKFW C50H80N12O8 976.6222 NA PeJP NA NA +PJ111369 VKKKRRY C44H80N16O9 976.6295 NA PeJP NA NA +PJ111370 SLLLLKKY C48H84N10O11 976.6321 NA PeJP NA NA +PJ111371 PPPVTLLLK C48H84N10O11 976.6322 NA PeJP NA NA +MJ099032 Pestahivin C53H84N8O9 976.636126 NA MeJP NA NA +PJ111372 VLLLLLFF C53H84N8O9 976.6362 NA PeJP NA NA +PJ111373 GLLKKKKY C47H84N12O10 976.6434 NA PeJP NA NA +PJ111374 PPLLLLRR C46H84N14O9 976.6546 NA PeJP NA NA +PJ111375 APPLLLLLK C49H88N10O10 976.6685 NA PeJP NA NA +PJ111376 LLLLLKKH C48H88N12O9 976.6798 NA PeJP NA NA +HMDB10547 TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C65H100O6 976.752014 NA HMDB2010 NA NA +HMDB10548 TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] C65H100O6 976.752014 NA HMDB2010 NA NA +MJ099033 Archaeol; 1-O-[?-D-Galactofuranosyl-(1?6)-?-D-galactofuranoside] C55H108O13 976.778993 NA MeJP NA NA +MJ099034 Archaeol; 1-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] C55H108O13 976.778993 NA MeJP NA NA +MJ099035 Archaeol; 1-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactofuranoside] C55H108O13 976.778993 NA MeJP NA NA +MJ099036 Archaeol; 1-O-[?-D-Mannopyranosyl-(1?2)-?-D-glucopyranoside] C55H108O13 976.778993 NA MeJP NA NA +MJ099037 Archaeol; 1-O-[?-D-Mannopyranosyl-(1?3)-?-D-galactopyranoside] C55H108O13 976.778993 NA MeJP NA NA +3102 fragment of beta-amyloid protein:12-28 VHHQKLVFFAEDVGSNK 976.9939 MH2+ Inhouse_peptide NA peptide +PJ111377 TCCCCCCCH C31H51N11O11S7 977.1815 NA PeJP NA NA +PJ111378 SCCCCDDDD C31H47N9O19S4 977.1871 NA PeJP NA NA +PJ111379 PCCCCCCDE C32H51N9O14S6 977.188 NA PeJP NA NA +PJ111380 GCCCCDDEM C32H51N9O16S5 977.2058 NA PeJP NA NA +PJ111381 GCCCCCCHF C35H51N11O10S6 977.2145 NA PeJP NA NA +PJ111382 SCCCCCNNE C31H51N11O15S5 977.217 NA PeJP NA NA +PJ111383 CCCCDDMW C36H51N9O13S5 977.221 NA PeJP NA NA +PJ111384 SSCCCDDDM C32H51N9O18S4 977.2235 NA PeJP NA NA +PJ111385 SPCCCCCEM C33H55N9O13S6 977.2244 NA PeJP NA NA +PJ111386 GSCCCCCNW C35H51N11O12S5 977.2323 NA PeJP NA NA +PJ111387 GSSSCCCCND C31H51N11O17S4 977.2348 NA PeJP NA NA +PJ111388 GCCCCNNMM C32H55N11O12S6 977.2356 NA PeJP NA NA +PJ111389 GGGGGCCCCMM C32H55N11O12S6 977.2357 NA PeJP NA NA +PJ111390 GPCCCCDDY C36H51N9O15S4 977.2388 NA PeJP NA NA +PJ111391 PPCCCCCCF C37H55N9O10S6 977.2397 NA PeJP NA NA +PJ111392 GSCCCDEMM C33H55N9O15S5 977.2422 NA PeJP NA NA +PJ111393 GPCCCCMMM C34H59N9O10S7 977.243 NA PeJP NA NA +PJ111394 GCCCCCCQR C31H55N13O11S6 977.2469 NA PeJP NA NA +PJ111395 GCCCCNNDF C35H51N11O14S4 977.25 NA PeJP NA NA +PJ111396 SSCCCCNQM C32H55N11O14S5 977.2534 NA PeJP NA NA +PJ111397 CCNDDDMY C36H51N9O17S3 977.2565 NA PeJP NA NA +PJ111398 GGCCDDDMY C36H51N9O17S3 977.2566 NA PeJP NA NA +PJ111399 SCCCDMMW C37H55N9O12S5 977.2574 NA PeJP NA NA +PJ111400 SSSCCDDMM C33H55N9O17S4 977.2599 NA PeJP NA NA +PJ111401 CCNDMMMM C34H59N9O12S6 977.2608 NA PeJP NA NA +PJ111402 GSCCCCEHH C34H51N13O13S4 977.2613 NA PeJP NA NA +PJ111403 SSCCCCCNR C31H55N13O13S5 977.2646 NA PeJP NA NA +PJ111404 GSCDDDDDH C34H47N11O21S 977.2669 NA PeJP NA NA +PJ111405 GSCCCNNDY C35H51N11O16S3 977.2678 NA PeJP NA NA +PJ111406 GSSSSCCCNM C32H55N11O16S4 977.2711 NA PeJP NA NA +PJ111407 GGGSSSSCCCM C32H55N11O16S4 977.2712 NA PeJP NA NA +PJ111408 GCCCDEYW C40H51N9O14S3 977.2718 NA PeJP NA NA +PJ111409 CCCCEMMR C33H59N11O11S6 977.272 NA PeJP NA NA +PJ111410 GPDDDDDDD C35H47N9O24 977.2735 NA PeJP NA NA +PJ111411 GSSCCDDEY C36H51N9O19S2 977.2743 NA PeJP NA NA +PJ111412 GSPCCCDMY C37H55N9O14S4 977.2752 NA PeJP NA NA +PJ111413 ACCCMMMW C38H59N9O9S6 977.276 NA PeJP NA NA +PJ111414 SCCCCHHW C38H51N13O10S4 977.2765 NA PeJP NA NA +PJ111415 GSSCCEMMM C34H59N9O14S5 977.2785 NA PeJP NA NA +PJ111416 SSSCCCDHH C34H51N13O15S3 977.279 NA PeJP NA NA +PJ111417 CCCNMMHH C35H55N13O10S5 977.2799 NA PeJP NA NA +PJ111418 PCCCDDHW C39H51N11O13S3 977.283 NA PeJP NA NA +PJ111419 GCCCCCCKR C32H59N13O10S6 977.2833 NA PeJP NA NA +PJ111420 CNDDDEMH C35H51N11O18S2 977.2855 NA PeJP NA NA +PJ111421 GGCDDDEMH C35H51N11O18S2 977.2856 NA PeJP NA NA +PJ111422 CCCNNQMY C36H55N11O13S4 977.2864 NA PeJP NA NA +PJ111423 CCCDYWW C44H51N9O11S3 977.2871 NA PeJP NA NA +PJ111424 SSSSSSCCCQ C32H55N11O18S3 977.2889 NA PeJP NA NA +PJ111425 SSCCDDYW C40H51N9O16S2 977.2896 NA PeJP NA NA +PJ111426 SSCCCCNKM C33H59N11O13S5 977.2898 NA PeJP NA NA +PJ111427 GCCCNNNNH C33H51N15O14S3 977.2902 NA PeJP NA NA +PJ111428 GGGCCCNNNH C33H51N15O14S3 977.2903 NA PeJP NA NA +PJ111429 PTCCCCYW C41H55N9O11S4 977.2904 NA PeJP NA NA +PJ111430 SSSSCDDDY C36H51N9O21S 977.292 NA PeJP NA NA +PJ111431 SPPCDDDDD C36H51N9O21S 977.2921 NA PeJP NA NA +FL7AAIGL0038 Malvidin 3-O-(6-O-(4-O-feruloyl-alpha-rhamnopyranosyl)-beta-glucopyranoside)-5-beta-glucopyranoside C45H53O24 977.29267 303115-58-4 knapsack NA NA +PJ111432 SCNDDMMY C37H55N9O16S3 977.2929 NA PeJP NA NA +PJ111433 SSCCMMMW C38H59N9O11S5 977.2938 NA PeJP NA NA +PJ111434 CCCNDHHF C38H51N13O12S3 977.2943 NA PeJP NA NA +MJ099038 Perdeacylwilfortrine; 2-O-(3-Furancarbonyl), 26-O-benzoyl, 1,6,8,9,14-penta-Ac C48H51NO21 977.295357 NA MeJP NA NA +PJ111435 SSSSCDMMM C34H59N9O16S4 977.2963 NA PeJP NA NA +PJ111436 CCDDDDHR C34H51N13O17S2 977.2968 NA PeJP NA NA +PJ111437 SCNMMMMM C35H63N9O11S6 977.2972 NA PeJP NA NA +PJ111438 CCCCNNRY C35H55N13O12S4 977.2976 NA PeJP NA NA +PJ111439 GGGPCCCNMH C35H55N13O12S4 977.2977 NA PeJP NA NA +PJ111440 GCDDDMHW C39H51N11O15S2 977.3008 NA PeJP NA NA +PJ111441 GSSDDDDMH C35H51N11O20S 977.3033 NA PeJP NA NA +PJ111442 SCCCDERY C36H55N11O15S3 977.3042 NA PeJP NA NA +PJ111443 PCCCCMRY C37H59N11O10S5 977.305 NA PeJP NA NA +PJ111444 CCCMFWW C45H55N9O8S4 977.3057 NA PeJP NA NA +PJ111445 GSSSSSSSSCC C32H55N11O20S2 977.3067 NA PeJP NA NA +PJ111446 GCNDDEYY C40H51N9O18S 977.3073 NA PeJP NA NA +PJ111447 GSSSTCCCCK C33H59N11O15S4 977.3075 NA PeJP NA NA +PJ111448 GSCCEMYW C41H55N9O13S3 977.3082 NA PeJP NA NA +PJ111449 TCCCMMMR C34H63N11O10S6 977.3084 NA PeJP NA NA +PJ111450 GSPDDDDEE C36H51N9O23 977.3098 NA PeJP NA NA +PJ111451 GSSSCDEMY C37H55N9O18S2 977.3107 NA PeJP NA NA +PJ111452 GCNEMMMY C38H59N9O13S4 977.3115 NA PeJP NA NA +PJ111453 GGGCEMMMY C38H59N9O13S4 977.3116 NA PeJP NA NA +PJ111454 SCCNNDHW C38H51N13O14S2 977.312 NA PeJP NA NA +MJ099039 Tetradecanoyl-CoA C35H62N7O17P3S 977.313573 NA MeJP NA NA +MetaCyc04358 myristoyl-CoA [Tetradecanoyl-CoA (n-C14:0CoA);tetradecanoyl-CoA;] C35H62N7O17P3S1 977.313574 NA metacyc NA NA +HMDB01521 Tetradecanoyl-CoA C35H62N7O17P3S 977.313599 NA HMDB2010 NA NA +HMDB01521 Tetradecanoyl-CoA (n-C14:0CoA) C35H62N7O17P3S 977.3136 http://www.hmdb.ca/metabolites/HMDB01521 HMDB NA NA +C02593 Tetradecanoyl-CoA C35H62N7O17P3S 977.3136 NA KEGG NA NA +HMDB01521 Tetradecanoyl-CoA (n-C14:0CoA) C35H62N7O17P3S 977.3136 HMDB01521 PFEM_hmdb_metabocards_official NA NA +PJ111455 SSSCNNDDH C34H51N13O19S 977.3145 NA PeJP NA NA +PJ111456 GSSTCMMMM C35H63N9O13S5 977.3149 NA PeJP NA NA +PJ111457 SSSSCCMHH C35H55N13O14S3 977.3154 NA PeJP NA NA +PJ111458 CCDEHWW C43H51N11O12S2 977.316 NA PeJP NA NA +PJ111459 SSCDDEHW C39H51N11O17S 977.3186 NA PeJP NA NA +PJ111460 SPCCDMHW C40H55N11O12S3 977.3194 NA PeJP NA NA +PJ111461 SSSSDDDEH C35H51N11O22 977.321 NA PeJP NA NA +PJ111462 NNNDDEEE C35H51N11O22 977.3211 NA PeJP NA NA +PJ111463 SSSSCCNQY C36H55N11O17S2 977.3219 NA PeJP NA NA +PJ111464 CNDDYYW C44H51N9O15S 977.3226 NA PeJP NA NA +PJ111465 GCCDMMRY C37H59N11O12S4 977.3228 NA PeJP NA NA +PJ111466 SCCMYWW C45H55N9O10S3 977.3234 NA PeJP NA NA +PJ111467 SPDDDDEW C40H51N9O20 977.3251 NA PeJP NA NA +PJ111468 SSSSSSCCCK C33H59N11O17S3 977.3253 NA PeJP NA NA +PJ111469 GCNNNNNND C33H51N15O18S 977.3258 NA PeJP NA NA +PJ111470 SSSCDMYW C41H55N9O15S2 977.3259 NA PeJP NA NA +PJ111471 PPCDDDMW C41H55N9O15S2 977.326 NA PeJP NA NA +PJ111472 STCCCCCKK C34H63N11O12S5 977.3262 NA PeJP NA NA +PJ111473 CCCNNEHR C34H55N15O13S3 977.3266 NA PeJP NA NA +PJ111474 GGGGCCCEHR C34H55N15O13S3 977.3267 NA PeJP NA NA +PJ111475 CNMMMYW C42H59N9O10S4 977.3268 NA PeJP NA NA +PJ111476 SSSSSDDMY C37H55N9O20S 977.3284 NA PeJP NA NA +PJ111477 PNDDEEEM C37H55N9O20S 977.3285 NA PeJP NA NA +PJ111478 SSNDMMMY C38H59N9O15S3 977.3293 NA PeJP NA NA +PJ111479 CNNNDDHF C38H51N13O16S 977.3298 NA PeJP NA NA +PJ111480 TCCYYYY C46H55N7O13S2 977.3299 NA PeJP NA NA +PJ111481 PCCCKMMY C39H63N9O10S5 977.3302 NA PeJP NA NA +PJ111482 GCCNQMHW C39H55N13O11S3 977.3306 NA PeJP NA NA +PJ111483 GGGCCQMHW C39H55N13O11S3 977.3307 NA PeJP NA NA +PJ111484 NNDDDDDR C34H51N13O21 977.3323 NA PeJP NA NA +PJ111485 DEEEMYY C42H55N7O18S 977.3325 NA PeJP NA NA +PJ111486 SSSSSMMMM C35H63N9O15S4 977.3327 NA PeJP NA NA +PJ111487 ASSCCNQEH C35H55N13O16S2 977.3331 NA PeJP NA NA +PJ111488 SCDDDMHR C35H55N13O16S2 977.3332 NA PeJP NA NA +PJ111489 TCCKMMMM C36H67N9O10S6 977.3336 NA PeJP NA NA +PJ111490 PCCCEMHR C36H59N13O11S4 977.334 NA PeJP NA NA +PJ111491 CCNNNHHH C36H51N17O12S2 977.3345 NA PeJP NA NA +PJ111492 GNNDDEEW C39H51N11O19 977.3363 NA PeJP NA NA +PJ111493 GSDDMMHW C40H55N11O14S2 977.3372 NA PeJP NA NA +PJ111494 APCCMMHW C41H59N11O9S4 977.3381 NA PeJP NA NA +PJ111495 GSSSSSSCNY C36H55N11O19S 977.3397 NA PeJP NA NA +PJ111496 SSCCEMRY C37H59N11O14S3 977.3405 NA PeJP NA NA +PJ111497 GGGSTCCCKY C37H59N11O14S3 977.3406 NA PeJP NA NA +PJ111498 SCNDEHHH C37H51N15O15S 977.341 NA PeJP NA NA +PJ111499 GSPCCYYW C45H55N9O12S2 977.3412 NA PeJP NA NA +PJ111500 GCCMMMFR C38H63N11O9S5 977.3414 NA PeJP NA NA +PJ111501 GCCCNHRW C38H55N15O10S3 977.3419 NA PeJP NA NA +PJ111502 GPDDEEMW C41H55N9O17S 977.3437 NA PeJP NA NA +PJ111503 GSSCCNDHR C34H55N15O15S2 977.3444 NA PeJP NA NA +PJ111504 GSTCMMYW C42H59N9O12S3 977.3446 NA PeJP NA NA +PJ111505 GQEEEEEE C37H55N9O22 977.3462 NA PeJP NA NA +PJ111506 GSSSSEMMY C38H59N9O17S2 977.3471 NA PeJP NA NA +PJ111507 SNNNNDDW C38H51N13O18 977.3475 NA PeJP NA NA +PJ111508 GGGGSNNDDW C38H51N13O18 977.3476 NA PeJP NA NA +PJ111509 GSQMMMMY C39H63N9O12S4 977.3479 NA PeJP NA NA +PJ111510 GPPPCDMMM C39H63N9O12S4 977.348 NA PeJP NA NA +PJ111511 SSCNNMHW C39H55N13O13S2 977.3484 NA PeJP NA NA +PJ111512 GSPCNDDDR C35H55N13O18S 977.3509 NA PeJP NA NA +PJ111513 GGGGGGGGGADEM C35H55N13O18S 977.351 NA PeJP NA NA +PJ111514 EEEMMFY C43H59N7O15S2 977.3511 NA PeJP NA NA +PJ111515 NNDDEWW C43H51N11O16 977.3516 NA PeJP NA NA +PJ111516 GCDEMMHR C36H59N13O13S3 977.3518 NA PeJP NA NA +PJ111517 SCEMHWW C44H55N11O11S2 977.3524 NA PeJP NA NA +PJ111518 SSSDEMHW C40H55N11O16S 977.3549 NA PeJP NA NA +PJ111519 GGGGSPDDMW C40H55N11O16S 977.355 NA PeJP NA NA +PJ111520 NEMMMHW C41H59N11O11S3 977.3558 NA PeJP NA NA +PJ111521 GSCDHHHW C41H51N15O12S 977.3563 NA PeJP NA NA +PJ111522 ACCFYWW C49H55N9O9S2 977.3564 NA PeJP NA NA +PJ111523 ADDDEEER C36H55N11O21 977.3574 NA PeJP NA NA +PJ111524 GDDEEEER C36H55N11O21 977.3575 NA PeJP NA NA +PJ111525 SSSSCCNKY C37H59N11O16S2 977.3583 NA PeJP NA NA +PJ111526 GSSSDDHHH C37H51N15O17 977.3588 NA PeJP NA NA +PJ111527 SNDMYYW C45H55N9O14S 977.3589 NA PeJP NA NA +PJ111528 PDDEMWW C45H55N9O14S 977.359 NA PeJP NA NA +PJ111529 GSCMMMRY C38H63N11O11S4 977.3592 NA PeJP NA NA +PJ111530 GNDMMHHH C38H55N15O12S2 977.3596 NA PeJP NA NA +PJ111531 GGGDMMHHH C38H55N15O12S2 977.3597 NA PeJP NA NA +PJ111532 CNMMFFW C46H59N9O9S3 977.3598 NA PeJP NA NA +PJ111533 SSSNEEYY C41H55N9O19 977.3614 NA PeJP NA NA +PJ111534 QEEEEEW C41H55N9O19 977.3615 NA PeJP NA NA +PJ111535 CNNNNDER C34H55N15O17S 977.3621 NA PeJP NA NA +PJ111536 GGCNNNDER C34H55N15O17S 977.3622 NA PeJP NA NA +PJ111537 SSSSMMYW C42H59N9O14S2 977.3623 NA PeJP NA NA +PJ111538 GPDDDHHW C42H51N13O15 977.3628 NA PeJP NA NA +PJ111539 GCFYYYY C50H55N7O12S 977.363 NA PeJP NA NA +PJ111540 PCCCKMFF C43H63N9O9S4 977.3632 NA PeJP NA NA +PJ111541 GCCQHHFF C43H55N13O10S2 977.3637 NA PeJP NA NA +PJ111542 SSSSSTEMY C38H59N9O19S 977.3648 NA PeJP NA NA +PJ111543 PDEEYYY C46H55N7O17 977.3655 NA PeJP NA NA +PJ111544 SSTQMMMY C39H63N9O14S3 977.3657 NA PeJP NA NA +PJ111545 GSSSSCQHW C39H55N13O15S 977.3662 NA PeJP NA NA +PJ111546 GCKMMMMF C40H67N9O9S5 977.3666 NA PeJP NA NA +PJ111547 GNDDWWW C47H51N11O13 977.3668 NA PeJP NA NA +PJ111548 CDMMHRW C40H59N13O10S3 977.367 NA PeJP NA NA +PJ111549 GGPPCCCRW C40H59N13O10S3 977.3671 NA PeJP NA NA +PJ111550 PCCHFWW C48H55N11O8S2 977.3677 NA PeJP NA NA +PJ111551 SNNDDEER C35H55N13O20 977.3687 NA PeJP NA NA +PJ111552 SSDDMMHR C36H59N13O15S2 977.3695 NA PeJP NA NA +PJ111553 GGPCNDEMR C36H59N13O15S2 977.3696 NA PeJP NA NA +PJ111554 NNNNNDHH C36H51N17O16 977.37 NA PeJP NA NA +PJ111555 GSPCNEWW C44H55N11O13S 977.3702 NA PeJP NA NA +PJ111556 PTCCMMHR C37H63N13O10S4 977.3704 NA PeJP NA NA +PJ111557 GCCEHHHR C37H55N17O11S2 977.3709 NA PeJP NA NA +PJ111558 GMMMHWW C45H59N11O8S3 977.3711 NA PeJP NA NA +PJ111559 DDEEERW C40H55N11O18 977.3727 NA PeJP NA NA +PJ111560 GSTEMMHW C41H59N11O13S2 977.3736 NA PeJP NA NA +PJ111561 GNDDHHHF C41H51N15O14 977.374 NA PeJP NA NA +PJ111562 GGGDDHHHF C41H51N15O14 977.3741 NA PeJP NA NA +PJ111563 GTCYYWW C49H55N9O11S 977.3742 NA PeJP NA NA +PJ111564 SCCCNHRR C34H59N17O11S3 977.3743 NA PeJP NA NA +PJ111565 CQMHHHW C42H55N15O9S2 977.3749 NA PeJP NA NA +PJ111566 SPDDEEMR C37H59N11O18S 977.3761 NA PeJP NA NA +PJ111567 AEEEEWW C45H55N9O16 977.3767 NA PeJP NA NA +PJ111568 SSTCMMRY C38H63N11O13S3 977.3769 NA PeJP NA NA +PJ111569 GGGGAPPTCMM C38H63N11O13S3 977.377 NA PeJP NA NA +PJ111570 GCNNNDRW C38H55N15O14S 977.3774 NA PeJP NA NA +PJ111571 GQMMYYW C46H59N9O11S2 977.3776 NA PeJP NA NA +PJ111572 GCNHHHHH C39H51N19O10S 977.3788 NA PeJP NA NA +PJ111573 GSSNNNDDR C34H55N15O19 977.3799 NA PeJP NA NA +PJ111574 GPTEEEMW C42H59N9O16S 977.3801 NA PeJP NA NA +PJ111575 GSYYYYY C50H55N7O14 977.3807 NA PeJP NA NA +PJ111576 PCCNDDRR C35H59N15O14S2 977.3808 NA PeJP NA NA +PJ111577 QQMMMFY C43H63N9O11S3 977.3809 NA PeJP NA NA +PJ111578 GPPEMMMW C43H63N9O11S3 977.381 NA PeJP NA NA +PJ111579 NNNNMWW C43H55N13O12S 977.3814 NA PeJP NA NA +PJ111580 GGGGGGGGMWW C43H55N13O12S 977.3815 NA PeJP NA NA +PJ111581 GKEEEEEE C38H59N9O21 977.3826 NA PeJP NA NA +PJ111582 GSSTTTMMY C39H63N9O16S2 977.3834 NA PeJP NA NA +PJ111583 PVNEEEMM C39H63N9O16S2 977.3835 NA PeJP NA NA +PJ111584 GSNDDERW C39H55N13O17 977.3839 NA PeJP NA NA +PJ111585 GGGGGGGGSTEW C39H55N13O17 977.384 NA PeJP NA NA +PJ111586 PEEMFYY C47H59N7O14S 977.3841 NA PeJP NA NA +PJ111587 GSKMMMMY C40H67N9O11S4 977.3843 NA PeJP NA NA +PJ111588 GPCNDMRW C40H59N13O12S2 977.3848 NA PeJP NA NA +PJ111589 SPCNWWW C48H55N11O10S 977.3854 NA PeJP NA NA +PJ111590 GGSPCWWW C48H55N11O10S 977.3855 NA PeJP NA NA +PJ111591 CCHHHRW C41H55N17O8S2 977.3861 NA PeJP NA NA +PJ111592 GNNEEEMR C36H59N13O17S 977.3873 NA PeJP NA NA +PJ111593 LEEMMYY C44H63N7O14S2 977.3875 NA PeJP NA NA +PJ111594 SNQEEWW C44H55N11O15 977.3879 NA PeJP NA NA +PJ111595 GGSQEEWW C44H55N11O15 977.388 NA PeJP NA NA +PJ111596 GSEMMMHR C37H63N13O12S3 977.3882 NA PeJP NA NA +PJ111597 SSCDHHHR C37H55N17O13S 977.3886 NA PeJP NA NA +PJ111598 STMMHWW C45H59N11O10S2 977.3888 NA PeJP NA NA +PJ111599 SSTTEMHW C41H59N11O15S 977.3913 NA PeJP NA NA +PJ111600 SSSYYWW C49H55N9O13 977.392 NA PeJP NA NA +PJ111601 DKMMMHW C42H63N11O10S3 977.3922 NA PeJP NA NA +PJ111602 GSSMHHHW C42H55N15O11S 977.3927 NA PeJP NA NA +PJ111603 CMHFFFF C50H59N9O8S2 977.3928 NA PeJP NA NA +PJ111604 GTEEEEER C37H59N11O20 977.3938 NA PeJP NA NA +PJ111605 GPEEEMMR C38H63N11O15S2 977.3947 NA PeJP NA NA +PJ111606 NNNNNNQF C38H55N15O16 977.3951 NA PeJP NA NA +PJ111607 SPDDDHHR C38H55N15O16 977.3952 NA PeJP NA NA +PJ111608 PTEEMWW C46H59N9O13S 977.3953 NA PeJP NA NA +PJ111609 GPPDEMFW C46H59N9O13S 977.3954 NA PeJP NA NA +PJ111610 CCCCKKKY C39H67N11O10S4 977.3956 NA PeJP NA NA +PJ111611 GCNNMHFR C39H59N15O11S2 977.396 NA PeJP NA NA +PJ111612 GGGGGCMHFR C39H59N15O11S2 977.3961 NA PeJP NA NA +PJ111613 PPMMMWW C47H63N9O8S3 977.3962 NA PeJP NA NA +PJ111614 KEEEEEW C42H59N9O18 977.3978 NA PeJP NA NA +PJ111615 GSLEEEEW C42H59N9O18 977.3979 NA PeJP NA NA +PJ111616 GNDDDMRR C35H59N15O16S 977.3985 NA PeJP NA NA +PJ111617 GGGDDDMRR C35H59N15O16S 977.3986 NA PeJP NA NA +PJ111618 GPVEEMMW C43H63N9O13S2 977.3987 NA PeJP NA NA +PJ111619 SNDDRWW C43H55N13O14 977.3992 NA PeJP NA NA +PJ111620 GSPPCCCRR C36H63N15O11S3 977.3994 NA PeJP NA NA +PJ111621 PCCQRWW C44H59N13O9S2 977.4001 NA PeJP NA NA +PJ111622 SSSTTTTMY C39H63N9O18S 977.4012 NA PeJP NA NA +PJ111623 VEEEFYY C47H59N7O16 977.4019 NA PeJP NA NA +PJ111624 SSTKMMMY C40H67N9O13S3 977.4021 NA PeJP NA NA +PJ111625 CQQEERW C40H59N13O14S 977.4025 NA PeJP NA NA +PJ111626 NNEEMRW C40H59N13O14S 977.4026 NA PeJP NA NA +MJ099040 Ferrimycin A1 C41H65FeN10O14 977.403113 NA MeJP NA NA +PJ111627 GSQEWWW C48H55N11O12 977.4032 NA PeJP NA NA +PJ111628 SMMMHRW C41H63N13O9S3 977.4034 NA PeJP NA NA +PJ111629 PPCNHHHH C41H55N17O10S 977.4039 NA PeJP NA NA +PJ111630 STDDQQER C36H59N13O19 977.405 NA PeJP NA NA +PJ111631 SSNQEEER C36H59N13O19 977.4051 NA PeJP NA NA +PJ111632 SSTEMMHR C37H63N13O14S2 977.4059 NA PeJP NA NA +PJ111633 GGGGGGGGLQMM C37H63N13O14S2 977.406 NA PeJP NA NA +PJ111634 GNNDEHHR C37H55N17O15 977.4064 NA PeJP NA NA +PJ111635 AQQEMWW C45H59N11O12S 977.4066 NA PeJP NA NA +PJ111636 AAMMMMHR C38H67N13O9S4 977.4068 NA PeJP NA NA +PJ111637 NFYYWW C53H55N9O10 977.4072 NA PeJP NA NA +PJ111638 GTCMHHHR C38H59N17O10S2 977.4073 NA PeJP NA NA +PJ111639 TEEEERW C41H59N11O17 977.4091 NA PeJP NA NA +PJ111640 SCNNNDRR C34H59N17O15S 977.4098 NA PeJP NA NA +PJ111641 PEEMMRW C42H63N11O12S2 977.4099 NA PeJP NA NA +PJ111642 GPNDKMMW C42H63N11O12S2 977.41 NA PeJP NA NA +PJ111643 SSSTHHHW C42H55N15O13 977.4104 NA PeJP NA NA +PJ111644 PPDMFWW C50H59N9O10S 977.4106 NA PeJP NA NA +PJ111645 CKMHHHW C43H59N15O8S2 977.4113 NA PeJP NA NA +PJ111646 SSSSTLEMH C38H63N11O17S 977.4124 NA PeJP NA NA +PJ111647 GVEEEEMR C38H63N11O17S 977.4125 NA PeJP NA NA +PJ111648 SLEEEWW C46H59N9O15 977.4131 NA PeJP NA NA +PJ111649 SPPEMMMR C39H67N11O12S3 977.4133 NA PeJP NA NA +PJ111650 CNDERRW C39H59N15O13S 977.4138 NA PeJP NA NA +PJ111651 PVEMMWW C47H63N9O10S2 977.414 NA PeJP NA NA +PJ111652 SPEHHWW C47H55N13O11 977.4144 NA PeJP NA NA +PJ111653 GGGGGGHFFW C47H55N13O11 977.4145 NA PeJP NA NA +PJ111654 SSNDDERR C35H59N15O18 977.4163 NA PeJP NA NA +PJ111655 AALEEEMW C43H63N9O15S 977.4165 NA PeJP NA NA +PJ111656 PPEFYYY C51H59N7O13 977.4171 NA PeJP NA NA +PJ111657 SPCNDMRR C36H63N15O13S2 977.4172 NA PeJP NA NA +PJ111658 SPPVMMMW C44H67N9O10S3 977.4173 NA PeJP NA NA +PJ111659 GPPPVCMMF C44H67N9O10S3 977.4174 NA PeJP NA NA +PJ111660 GNEMRWW C44H59N13O11S 977.4178 NA PeJP NA NA +PJ111661 SQWWWW C52H55N11O9 977.4185 NA PeJP NA NA +PJ111662 SVKEEEEE C39H63N9O20 977.419 NA PeJP NA NA +PJ111663 PTLQEEMM C40H67N9O15S2 977.4198 NA PeJP NA NA +PJ111664 PVDKEEMM C40H67N9O15S2 977.4199 NA PeJP NA NA +PJ111665 GSSQEERW C40H59N13O16 977.4203 NA PeJP NA NA +PJ111666 GGGGGGGGGGLEF C40H59N13O16 977.4204 NA PeJP NA NA +PJ111667 PLEMYYY C48H63N7O13S 977.4205 NA PeJP NA NA +PJ111668 PPLQMMMM C41H71N9O10S4 977.4207 NA PeJP NA NA +PJ111669 GSPNMMRW C41H63N13O11S2 977.4212 NA PeJP NA NA +PJ111670 NNDHHRW C41H55N17O12 977.4217 NA PeJP NA NA +PJ111671 AAQMWWW C49H59N11O9S 977.4218 NA PeJP NA NA +PJ111672 HHHHHHH C42H51N21O8 977.423 NA PeJP NA NA +PJ111673 EEEEMRR C37H63N13O16S 977.4237 NA PeJP NA NA +PJ111674 SNKEEWW C45H59N11O14 977.4243 NA PeJP NA NA +PJ111675 GGGGGPVEYW C45H59N11O14 977.4244 NA PeJP NA NA +PJ111676 ATTMMMHR C38H67N13O11S3 977.4246 NA PeJP NA NA +PJ111677 SSSMHHHR C38H59N17O12S 977.425 NA PeJP NA NA +PJ111678 PCQKMWW C46H63N11O9S2 977.4252 NA PeJP NA NA +PJ111679 GQQHHWW C46H55N15O10 977.4257 NA PeJP NA NA +PJ111680 VEEEMRW C42H63N11O14S 977.4277 NA PeJP NA NA +PJ111681 GVQYYYW C50H59N9O12 977.4283 NA PeJP NA NA +PJ111682 PPTEYWW C50H59N9O12 977.4284 NA PeJP NA NA +PJ111683 CKMMFRY C43H67N11O9S3 977.4286 NA PeJP NA NA +PJ111684 GCDRRWW C43H59N15O10S 977.4291 NA PeJP NA NA +PJ111685 SSLEEEER C38H63N11O19 977.4302 NA PeJP NA NA +PJ111686 SPVEEMMR C39H67N11O14S2 977.4311 NA PeJP NA NA +PJ111687 SSSNNQRW C39H59N15O15 977.4315 NA PeJP NA NA +PJ111688 GSSDDRRW C39H59N15O15 977.4316 NA PeJP NA NA +PJ111689 VVEEMWW C47H63N9O12S 977.4317 NA PeJP NA NA +PJ111690 PPCLMMMR C40H71N11O9S4 977.432 NA PeJP NA NA +PJ111691 GPTCCRRW C40H63N15O10S2 977.4324 NA PeJP NA NA +PJ111692 NMRWWW C48H59N13O8S 977.4331 NA PeJP NA NA +PJ111693 ATTLEEEW C43H63N9O17 977.4342 NA PeJP NA NA +PJ111694 GSNEEMRR C36H63N15O15S 977.4349 NA PeJP NA NA +PJ111695 GGGGGGGGGSCKK C36H63N15O15S 977.435 NA PeJP NA NA +PJ111696 APTLEMMW C44H67N9O12S2 977.4351 NA PeJP NA NA +PJ111697 SSQERWW C44H59N13O13 977.4356 NA PeJP NA NA +PJ111698 GPCQMMRR C37H67N15O10S3 977.4358 NA PeJP NA NA +PJ111699 PCCKRWW C45H63N13O8S2 977.4364 NA PeJP NA NA +PJ111700 PQHHHHW C45H55N17O9 977.4369 NA PeJP NA NA +PJ111701 ALKEEEEM C40H67N9O17S 977.4376 NA PeJP NA NA +PJ111702 VLEEYYY C48H63N7O15 977.4382 NA PeJP NA NA +PJ111703 PVLQEMMM C41H71N9O12S3 977.4385 NA PeJP NA NA +PJ111704 NDKEMRW C41H63N13O13S 977.4389 NA PeJP NA NA +PJ111705 GGDKEMRW C41H63N13O13S 977.439 NA PeJP NA NA +PJ111706 GSKEWWW C49H59N11O11 977.4396 NA PeJP NA NA +PJ111707 GGGGGCCRRR C34H63N19O11S2 977.4397 NA PeJP NA NA +PJ111708 NMHHHFR C42H59N17O9S 977.4403 NA PeJP NA NA +PJ111709 SSNKEEER C37H63N13O18 977.4414 NA PeJP NA NA +PJ111710 GGSSKEEER C37H63N13O18 977.4415 NA PeJP NA NA +PJ111711 TTTTMMHR C38H67N13O13S2 977.4423 NA PeJP NA NA +PJ111712 DEEHHRR C38H59N17O14 977.4428 NA PeJP NA NA +PJ111713 SLQQMWW C46H63N11O11S 977.4429 NA PeJP NA NA +PJ111714 AQKEMWW C46H63N11O11S 977.443 NA PeJP NA NA +PJ111715 GQFFFFW C54H59N9O9 977.4436 NA PeJP NA NA +PJ111716 SSSSPVTQW C42H63N11O16 977.4454 NA PeJP NA NA +PJ111717 GSDKKEEW C42H63N11O16 977.4455 NA PeJP NA NA +PJ111718 SSNNNMRR C35H63N17O14S 977.4461 NA PeJP NA NA +PJ111719 GSCDERRR C35H63N17O14S 977.4462 NA PeJP NA NA +PJ111720 GPTQKMMW C43H67N11O11S2 977.4463 NA PeJP NA NA +PJ111721 GGGGGLLMMW C43H67N11O11S2 977.4464 NA PeJP NA NA +PJ111722 NNNQFRW C43H59N15O12 977.4468 NA PeJP NA NA +PJ111723 PPVMYWW C51H63N9O9S 977.447 NA PeJP NA NA +PJ111724 ATLEEEMR C39H67N11O16S 977.4488 NA PeJP NA NA +PJ111725 AAAAASKEEM C39H67N11O16S 977.4489 NA PeJP NA NA +PJ111726 AAPLEEYW C47H63N9O14 977.4495 NA PeJP NA NA +PJ111727 APLEMMMR C40H71N11O11S3 977.4497 NA PeJP NA NA +PJ111728 SNEMRRW C40H63N15O12S 977.4502 NA PeJP NA NA +PJ111729 GPPLMMFW C48H67N9O9S2 977.4504 NA PeJP NA NA +PJ111730 GSTRWWW C48H59N13O10 977.4508 NA PeJP NA NA +PJ111731 SSSQEERR C36H63N15O17 977.4527 NA PeJP NA NA +PJ111732 SSSLKMYY C44H67N9O14S 977.4528 NA PeJP NA NA +PJ111733 GTLLEEMW C44H67N9O14S 977.4529 NA PeJP NA NA +MJ099041 Antibiotic CBS 154-94B C52H63N7O12 977.45347 NA MeJP NA NA +PJ111734 PPLYYYY C52H63N7O12 977.4535 NA PeJP NA NA +PJ111735 GAQEMMRR C37H67N15O12S2 977.4536 NA PeJP NA NA +PJ111736 GPLLMMMW C45H71N9O9S3 977.4537 NA PeJP NA NA +PJ111737 GSNDHHRR C37H59N19O13 977.454 NA PeJP NA NA +PJ111738 GDKMRWW C45H63N13O10S 977.4542 NA PeJP NA NA +PJ111739 SKWWWW C53H59N11O8 977.4548 NA PeJP NA NA +PJ111740 GVHFFWW C53H59N11O8 977.4549 NA PeJP NA NA +PJ111741 TTLKEEEE C40H67N9O19 977.4554 NA PeJP NA NA +PJ111742 PTLKEEMM C41H71N9O14S2 977.4562 NA PeJP NA NA +PJ111743 GSSKEERW C41H63N13O15 977.4567 NA PeJP NA NA +PJ111744 LLEMFYY C49H67N7O12S 977.4569 NA PeJP NA NA +PJ111745 PPLKMMMM C42H75N9O9S4 977.4571 NA PeJP NA NA +PJ111746 VQQMMRW C42H67N13O10S2 977.4576 NA PeJP NA NA +PJ111747 SQQHHRW C42H59N17O11 977.458 NA PeJP NA NA +PJ111748 GGGPNHHFR C42H59N17O11 977.4581 NA PeJP NA NA +PJ111749 AAKMWWW C50H63N11O8S 977.4582 NA PeJP NA NA +PJ111750 GTQKEEMR C38H67N13O15S 977.4601 NA PeJP NA NA +PJ111751 SDKKEWW C46H63N11O13 977.4607 NA PeJP NA NA +PJ111752 GPQKMMMR C39H71N13O10S3 977.4609 NA PeJP NA NA +PJ111753 GGAPKMMMR C39H71N13O10S3 977.461 NA PeJP NA NA +PJ111754 SCDRRRW C39H63N17O11S 977.4614 NA PeJP NA NA +PJ111755 PCKKMWW C47H67N11O8S2 977.4616 NA PeJP NA NA +PJ111756 GQKHHWW C47H59N15O9 977.4621 NA PeJP NA NA +PJ111757 SSSDDRRR C35H63N17O16 977.4639 NA PeJP NA NA +PJ111758 QKKEEMW C43H67N11O13S 977.4641 NA PeJP NA NA +PJ111759 PVVEYWW C51H63N9O11 977.4647 NA PeJP NA NA +PJ111760 GPPVEFFW C51H63N9O11 977.4648 NA PeJP NA NA +PJ111761 GSMRRWW C44H63N15O9S 977.4654 NA PeJP NA NA +PJ111762 HFFRWW C52H59N13O7 977.4661 NA PeJP NA NA +PJ111763 TTTLEEER C39H67N11O18 977.4666 NA PeJP NA NA +PJ111764 GLLEEMMR C40H71N11O13S2 977.4675 NA PeJP NA NA +PJ111765 GSSTERRW C40H63N15O14 977.4679 NA PeJP NA NA +PJ111766 GGGGGGGLQRY C40H63N15O14 977.468 NA PeJP NA NA +PJ111767 TLLEMWW C48H67N9O11S 977.4681 NA PeJP NA NA +PJ111768 AQMMRRW C41H67N15O9S2 977.4688 NA PeJP NA NA +PJ111769 GPTHHHHR C41H59N19O10 977.4693 NA PeJP NA NA +PJ111770 STTLLEEW C44H67N9O16 977.4706 NA PeJP NA NA +PJ111771 GSDKEMRR C37H67N15O14S 977.4713 NA PeJP NA NA +PJ111772 GVLLEMMW C45H71N9O11S2 977.4715 NA PeJP NA NA +PJ111773 SSKERWW C45H63N13O12 977.4719 NA PeJP NA NA +PJ111774 GSSSLRWW C45H63N13O12 977.472 NA PeJP NA NA +PJ111775 GPCKMMRR C38H71N15O9S3 977.4722 NA PeJP NA NA +PJ111776 NQMHHRR C38H63N19O10S 977.4726 NA PeJP NA NA +PJ111777 GGQMHHRR C38H63N19O10S 977.4727 NA PeJP NA NA +PJ111778 PKHHHHW C46H59N17O8 977.4733 NA PeJP NA NA +PJ111779 SLLKEEEM C41H71N9O16S 977.474 NA PeJP NA NA +PJ111780 PVLKEMMM C42H75N9O11S3 977.4749 NA PeJP NA NA +PJ111781 TQKEMRW C42H67N13O12S 977.4753 NA PeJP NA NA +PJ111782 GGGGGAPCKKF C42H67N13O12S 977.4754 NA PeJP NA NA +PJ111783 ATTKWWW C50H63N11O10 977.476 NA PeJP NA NA +PJ111784 SSDKKEER C38H67N13O17 977.4778 NA PeJP NA NA +PJ111785 GVQKEMMR C39H71N13O12S2 977.4787 NA PeJP NA NA +PJ111786 NNQQRRY C39H63N17O13 977.4792 NA PeJP NA NA +PJ111787 AKKEMWW C47H67N11O10S 977.4793 NA PeJP NA NA +PJ111788 GGTLKMWW C47H67N11O10S 977.4794 NA PeJP NA NA +PJ111789 PPVFFWW C55H63N9O8 977.48 NA PeJP NA NA +PJ111790 ASTKKEEW C43H67N11O15 977.4818 NA PeJP NA NA +PJ111791 GTTKKEEW C43H67N11O15 977.4819 NA PeJP NA NA +PJ111792 GSSEMRRR C36H67N17O13S 977.4825 NA PeJP NA NA +PJ111793 GGGGSTCKRR C36H67N17O13S 977.4826 NA PeJP NA NA +PJ111794 LLEMMRW C44H71N11O10S2 977.4827 NA PeJP NA NA +PJ111795 SSTRRWW C44H63N15O11 977.4832 NA PeJP NA NA +PJ111796 PVLMFWW C52H67N9O8S 977.4834 NA PeJP NA NA +PJ111797 CNHHRRR C37H63N21O9S 977.4839 NA PeJP NA NA +PJ111798 STLLEEMR C40H71N11O15S 977.4852 NA PeJP NA NA +PJ111799 GPTLLEYW C48H67N9O13 977.4859 NA PeJP NA NA +PJ111800 SPLLMMMR C41H75N11O10S3 977.4861 NA PeJP NA NA +PJ111801 SDKMRRW C41H67N15O11S 977.4866 NA PeJP NA NA +PJ111802 VLLMMWW C49H71N9O8S2 977.4867 NA PeJP NA NA +PJ111803 GVQFRWW C49H63N13O9 977.4872 NA PeJP NA NA +PJ111804 STTTQERR C37H67N15O16 977.489 NA PeJP NA NA +PJ111805 SSSKEERR C37H67N15O16 977.4891 NA PeJP NA NA +PJ111806 SSLLLEMW C45H71N9O13S 977.4892 NA PeJP NA NA +PJ111807 GGPVLLEMY C45H71N9O13S 977.4893 NA PeJP NA NA +PJ111808 PLLFYYY C53H67N7O11 977.4899 NA PeJP NA NA +PJ111809 GGGGGKKMMR C38H71N15O11S2 977.49 NA PeJP NA NA +PJ111810 GSTQHHRR C38H63N19O12 977.4904 NA PeJP NA NA +PJ111811 ATKMRWW C46H67N13O9S 977.4906 NA PeJP NA NA +PJ111812 SSSTLLLEE C41H71N9O18 977.4917 NA PeJP NA NA +PJ111813 VVLKEEMM C42H75N9O13S2 977.4926 NA PeJP NA NA +PJ111814 GTTTKERW C42H67N13O14 977.4931 NA PeJP NA NA +PJ111815 LLLMYYY C50H71N7O11S 977.4933 NA PeJP NA NA +PJ111816 VQKMMRW C43H71N13O9S2 977.4939 NA PeJP NA NA +3659 NA ITDFQILE 977.4939 ACE inhibitor Inhouse_peptide NA peptide +PJ111817 LNKMMRW C43H71N13O9S2 977.494 NA PeJP NA NA +PJ111818 SQKHHRW C43H63N17O10 977.4944 NA PeJP NA NA +PJ111819 SSLQKEMR C39H71N13O14S 977.4964 NA PeJP NA NA +PJ111820 GTKKEEMR C39H71N13O14S 977.4965 NA PeJP NA NA +PJ111821 TTKKEWW C47H67N11O12 977.4971 NA PeJP NA NA +PJ111822 GPKKMMMR C40H75N13O9S3 977.4973 NA PeJP NA NA +PJ111823 SSMRRRW C40H67N17O10S 977.4978 NA PeJP NA NA +PJ111824 QFRRWW C48H63N15O8 977.4984 NA PeJP NA NA +PJ111825 GAFRRWW C48H63N15O8 977.4985 NA PeJP NA NA +PJ111826 SSSTERRR C36H67N17O15 977.5003 NA PeJP NA NA +PJ111827 KKKEEMW C44H71N11O12S 977.5005 NA PeJP NA NA +PJ111828 PTLLYWW C52H67N9O10 977.5011 NA PeJP NA NA +PJ111829 TQMMRRR C37H71N17O10S2 977.5012 NA PeJP NA NA +PJ111830 VLMHHRW C45H67N15O8S 977.5018 NA PeJP NA NA +PJ111831 STKKKEEE C40H71N11O17 977.503 NA PeJP NA NA +PJ111832 AAPTTKKMM C41H75N11O12S2 977.5038 NA PeJP NA NA +PJ111833 SVLLEMMR C41H75N11O12S2 977.5039 NA PeJP NA NA +PJ111834 SSSSLRRW C41H67N15O13 977.5043 NA PeJP NA NA +PJ111835 GGGGGGGPPPLR C41H67N15O13 977.5044 NA PeJP NA NA +PJ111836 GPVLLMYW C49H71N9O10S 977.5045 NA PeJP NA NA +PJ111837 AKMMRRW C42H71N15O8S2 977.5052 NA PeJP NA NA +PJ111838 AALHHHHR C42H63N19O9 977.5057 NA PeJP NA NA +PJ111839 SPLLKEEY C45H71N9O15 977.507 NA PeJP NA NA +PJ111840 GTTKEMRR C38H71N15O13S 977.5077 NA PeJP NA NA +PJ111841 ATLLLMMW C46H75N9O10S2 977.5079 NA PeJP NA NA +PJ111842 TTTKRWW C46H67N13O11 977.5083 NA PeJP NA NA +PJ111843 GGGGLLRYW C46H67N13O11 977.5084 NA PeJP NA NA +PJ111844 GPPCHRRR C39H67N19O9S 977.509 NA PeJP NA NA +PJ111845 GTTTLLLEM C42H75N9O15S 977.5104 NA PeJP NA NA +PJ111846 VLLLQMMM C43H79N9O10S3 977.5112 NA PeJP NA NA +PJ111847 GGILLLMMM C43H79N9O10S3 977.5113 NA PeJP NA NA +PJ111848 TKKEMRW C43H71N13O11S 977.5117 NA PeJP NA NA +PJ111849 APKKYWW C51H67N11O9 977.5124 NA PeJP NA NA +PJ111850 STTKKEER C39H71N13O16 977.5142 NA PeJP NA NA +HMDB06972 CDP-DG(16:0/18:2(9Z,12Z)) C46H81N3O15P2 977.514282 NA HMDB2010 NA NA +PJ111851 GVKKEMMR C40H75N13O11S2 977.5151 NA PeJP NA NA +PJ111852 NNQKRRY C40H67N17O12 977.5155 NA PeJP NA NA +PJ111853 AQERRRY C40H67N17O12 977.5156 NA PeJP NA NA +PJ111854 SLKKMWW C48H71N11O9S 977.5157 NA PeJP NA NA +PJ111855 VHHHHRR C41H63N21O8 977.5169 NA PeJP NA NA +PJ111856 SSTLKKEW C44H71N11O14 977.5182 NA PeJP NA NA +PJ111857 GGGAALLKEY C44H71N11O14 977.5183 NA PeJP NA NA +PJ111858 GTTTMRRR C37H71N17O12S 977.5189 NA PeJP NA NA +PJ111859 AALKKMMW C45H75N11O9S2 977.5191 NA PeJP NA NA +PJ111860 GLQRRYW C45H67N15O10 977.5196 NA PeJP NA NA +PJ111861 SVKKKEEM C41H75N11O14S 977.5216 NA PeJP NA NA +PJ111862 SSPIILYW C49H71N9O12 977.5222 NA PeJP NA NA +PJ111863 AALLLEYW C49H71N9O12 977.5223 NA PeJP NA NA +PJ111864 ALLLMMMR C42H79N11O9S3 977.5225 NA PeJP NA NA +PJ111865 TTKMRRW C42H71N15O10S 977.5229 NA PeJP NA NA +PJ111866 GAPKMRRY C42H71N15O10S 977.523 NA PeJP NA NA +PJ111867 GVKFRWW C50H67N13O8 977.5236 NA PeJP NA NA +PJ111868 STTTKERR C38H71N15O15 977.5254 NA PeJP NA NA +PJ111869 GGGSSTTKKR C38H71N15O15 977.5255 NA PeJP NA NA +PJ111870 TTTLLLMW C46H75N9O12S 977.5256 NA PeJP NA NA +PJ111871 LLLFFYY C54H71N7O10 977.5263 NA PeJP NA NA +PJ111872 GDRRRRY C39H67N19O11 977.5268 NA PeJP NA NA +PJ111873 LKMHFFR C47H71N13O8S 977.527 NA PeJP NA NA +PJ111874 STTTTLLLE C42H75N9O17 977.5281 NA PeJP NA NA +PJ111875 TLLLKEMM C43H79N9O12S2 977.529 NA PeJP NA NA +PJ111876 SSTTLKRW C43H71N13O13 977.5295 NA PeJP NA NA +PJ111877 VKKMMRW C44H75N13O8S2 977.5303 NA PeJP NA NA +PJ111878 AARRRYW C44H67N17O9 977.5308 NA PeJP NA NA +PJ111879 SSLKKEMR C40H75N13O13S 977.5328 NA PeJP NA NA +PJ111880 GGSDKKKKM C40H75N13O13S 977.5329 NA PeJP NA NA +PJ111881 VLLERYW C48H71N11O11 977.5335 NA PeJP NA NA +PJ111882 PCKRRRY C41H71N17O9S 977.5342 NA PeJP NA NA +PJ111883 KFRRWW C49H67N15O7 977.5348 NA PeJP NA NA +PJ111884 STTTTRRR C37H71N17O14 977.5367 NA PeJP NA NA +PJ111885 ATTLKKMW C45H75N11O11S 977.5369 NA PeJP NA NA +PJ111886 VVLLYWW C53H71N9O9 977.5375 NA PeJP NA NA +PJ111887 TKMMRRR C38H75N17O9S2 977.5376 NA PeJP NA NA +PJ111888 PTTTTTTKK C41H75N11O16 977.5393 NA PeJP NA NA +PJ111889 SSSSLLKKE C41H75N11O16 977.5394 NA PeJP NA NA +PJ111890 TTLLLMMR C42H79N11O11S2 977.5402 NA PeJP NA NA +PJ111891 VQKERRY C42H71N15O12 977.5407 NA PeJP NA NA +PJ111892 GVLLLMFW C50H75N9O9S 977.5409 NA PeJP NA NA +PJ111893 APHRRRW C43H67N19O8 977.542 NA PeJP NA NA +PJ111894 ALLLKEEY C46H75N9O14 977.5434 NA PeJP NA NA +PJ111895 SSTLKMRR C39H75N15O12S 977.5441 NA PeJP NA NA +PJ111896 PVLLKMMF C47H79N9O9S2 977.5443 NA PeJP NA NA +PJ111897 PTKKRYW C47H71N13O10 977.5447 NA PeJP NA NA +PJ111898 GMFRRRR C40H71N19O8S 977.5454 NA PeJP NA NA +PJ111899 SSTTLLLLM C43H79N9O14S 977.5467 NA PeJP NA NA +PJ111900 SSTTIILLM C43H79N9O14S 977.5468 NA PeJP NA NA +PJ111901 VLLLKMMM C44H83N9O9S3 977.5476 NA PeJP NA NA +PJ111902 GTCKKKKW C44H75N13O10S 977.5481 NA PeJP NA NA +PJ111903 ALKKFWW C52H71N11O8 977.5487 NA PeJP NA NA +PJ111904 PLLFFRW C52H71N11O8 977.5488 NA PeJP NA NA +PJ111905 SSSSTLLKR C40H75N13O15 977.5506 NA PeJP NA NA +PJ111906 ATLKKMMR C41H79N13O10S2 977.5515 NA PeJP NA NA +PJ111907 AKERRRY C41H71N17O11 977.5519 NA PeJP NA NA +PJ111908 GGGGKKRRY C41H71N17O11 977.552 NA PeJP NA NA +PJ111909 LLLMFRW C49H75N11O8S 977.5521 NA PeJP NA NA +PJ111910 TTTTLKKW C45H75N11O13 977.5546 NA PeJP NA NA +PJ111911 GLKRRYW C46H71N15O9 977.556 NA PeJP NA NA +PJ111912 TTLKKKEM C42H79N11O13S 977.558 NA PeJP NA NA +PJ111913 GTLLLLYW C50H75N9O11 977.5586 NA PeJP NA NA +PJ111914 GGPVLLLFY C50H75N9O11 977.5587 NA PeJP NA NA +PJ111915 PKKMRRY C43H75N15O9S 977.5593 NA PeJP NA NA +PJ111916 GSSSTKKKR C39H75N15O14 977.5618 NA PeJP NA NA +PJ111917 PTLLLKMY C47H79N9O11S 977.562 NA PeJP NA NA +PJ111918 GCKKKKMR C40H79N15O9S2 977.5627 NA PeJP NA NA +PJ111919 ATRRRRY C40H71N19O10 977.5632 NA PeJP NA NA +PJ111920 SSSKKKKW C44H75N13O12 977.5659 NA PeJP NA NA +PJ111921 PVKHRRW C45H71N17O8 977.5672 NA PeJP NA NA +PJ111922 TTTLKKMR C41H79N13O12S 977.5692 NA PeJP NA NA +PJ111923 LLQKKYW C49H75N11O10 977.5699 NA PeJP NA NA +PJ111924 CLKFRRR C42H75N17O8S 977.5706 NA PeJP NA NA +PJ111925 GLLLLMRY C46H79N11O10S 977.5733 NA PeJP NA NA +PJ111926 PTHRRRR C39H71N21O9 977.5744 NA PeJP NA NA +PJ111927 SSTTTLLKK C42H79N11O15 977.5757 NA PeJP NA NA +PJ111928 SLLKKKMM C43H83N11O10S2 977.5766 NA PeJP NA NA +PJ111929 VKKERRY C43H75N15O11 977.5771 NA PeJP NA NA +PJ111930 SLLLLKEY C47H79N9O13 977.5798 NA PeJP NA NA +PJ111931 STCKKKKR C40H79N15O11S 977.5805 NA PeJP NA NA +PJ111932 VVKKRYW C48H75N13O9 977.5811 NA PeJP NA NA +PJ111933 GVLKKMFR C45H79N13O9S 977.5845 NA PeJP NA NA +PJ111934 GSTTTKKKK C41H79N13O14 977.587 NA PeJP NA NA +PJ111935 GKKKKKMM C42H83N13O9S2 977.5879 NA PeJP NA NA +PJ111936 SLKRRRY C42H75N17O10 977.5883 NA PeJP NA NA +PJ111937 STLLLLRY C46H79N11O12 977.591 NA PeJP NA NA +PJ111938 PKKFFRR C47H75N15O8 977.5924 NA PeJP NA NA +PJ111939 PVVLLKFY C51H79N9O10 977.595 NA PeJP NA NA +PJ111940 LKKMFRR C44H79N15O8S 977.5957 NA PeJP NA NA +PJ111941 VVLLLKMY C48H83N9O10S 977.5984 NA PeJP NA NA +PJ111942 LLQHRRR C41H75N19O9 977.5996 NA PeJP NA NA +PJ111943 GTLLKKRY C45H79N13O11 977.6022 NA PeJP NA NA +PJ111944 GGGLKKKKY C45H79N13O11 977.6023 NA PeJP NA NA +PJ111945 STKKKKKM C42H83N13O11S 977.6056 NA PeJP NA NA +PJ111946 LLKKKYW C50H79N11O9 977.6063 NA PeJP NA NA +PJ111947 ALLKKKMF C47H83N11O9S 977.6096 NA PeJP NA NA +PJ111948 VVHRRRR C40H75N21O8 977.6108 NA PeJP NA NA +PJ111949 QKKKKRY C44H79N15O10 977.6135 NA PeJP NA NA +PJ111950 APPLLLLLE C48H83N9O12 977.6162 NA PeJP NA NA +PJ111951 APPLLRRR C43H79N17O9 977.6247 NA PeJP NA NA +PJ111952 SVLLKKKY C47H83N11O11 977.6274 NA PeJP NA NA +PJ111953 VVLLLKFF C52H83N9O9 977.6314 NA PeJP NA NA +PJ111954 LLKHRRR C42H79N19O8 977.636 NA PeJP NA NA +PJ111955 GVKKKKKY C46H83N13O10 977.6386 NA PeJP NA NA +PJ111956 KKKKKRY C45H83N15O9 977.6499 NA PeJP NA NA +PJ111957 SPPLLLLLL C49H87N9O11 977.6525 NA PeJP NA NA +PJ111958 PPVTLLLLL C49H87N9O11 977.6526 NA PeJP NA NA +PJ111959 GPPLLLLKK C48H87N11O10 977.6638 NA PeJP NA NA +PJ111960 VLLLKKKH C47H87N13O9 977.675 NA PeJP NA NA +PJ111961 APLLLLLLL C50H91N9O10 977.6889 NA PeJP NA NA +C16157 Undecaprenyl phosphate alpha-L-Ara4N C60H100NO7P 977.7237 NA KEGG NA NA +C16158 Exendin-2 C60H100NO7P 977.7237 NA KEGG NA NA +PJ111962 CCCCCCNNN C30H50N12O13S6 978.1945 NA PeJP NA NA +PJ111963 SCCCCCNDE C31H50N10O16S5 978.201 NA PeJP NA NA +PJ111964 PCCCCCCNM C32H54N10O11S7 978.2019 NA PeJP NA NA +PJ111965 GSCCCCCDW C35H50N10O13S5 978.2163 NA PeJP NA NA +PJ111966 GSSSCCCCDD C31H50N10O18S4 978.2188 NA PeJP NA NA +PJ111967 GCCCCNDMM C32H54N10O13S6 978.2196 NA PeJP NA NA +PJ111968 GGGCCCCDMM C32H54N10O13S6 978.2197 NA PeJP NA NA +PJ111969 GCCCCCCER C31H54N12O12S6 978.2309 NA PeJP NA NA +PJ111970 GCCCCNDDF C35H50N10O15S4 978.234 NA PeJP NA NA +PJ111971 GGGCCCCDDF C35H50N10O15S4 978.2341 NA PeJP NA NA +PJ111972 CCCCCQMW C36H54N10O10S6 978.2349 NA PeJP NA NA +PJ111973 SSCCCCNEM C32H54N10O15S5 978.2374 NA PeJP NA NA +PJ111974 GCCCCCNHH C33H50N14O11S5 978.2388 NA PeJP NA NA +PJ111975 CCDDDDMY C36H50N8O18S3 978.2406 NA PeJP NA NA +PJ111976 CCDDMMMM C34H58N8O13S6 978.2448 NA PeJP NA NA +PJ111977 CCCCCCRW C35H54N12O9S6 978.2461 NA PeJP NA NA +PJ111978 SSCCCCCDR C31H54N12O14S5 978.2486 NA PeJP NA NA +PJ111979 GSCCCNDDY C35H50N10O17S3 978.2518 NA PeJP NA NA +PJ111980 GSSCCCCMW C36H54N10O12S5 978.2527 NA PeJP NA NA +PJ111981 GSSSSCCCDM C32H54N10O17S4 978.2552 NA PeJP NA NA +PJ111982 GSCCCNMMM C33H58N10O12S6 978.256 NA PeJP NA NA +PJ111983 CCDDDMMF C37H54N8O15S4 978.2592 NA PeJP NA NA +PJ111984 CCCDMMHH C35H54N12O11S5 978.2639 NA PeJP NA NA +FL5FAAGA0037 Kaempferol 3-glucosyl-(1->4)(6'''-sinapylglucosyl)(1->2)-galactoside C44H50O25 978.26411 168781-60-0 knapsack NA NA +FL5FAAGL0097 Kaempferol 3-(2'''-sinapylsophoroside)-7-glucoside C44H50O25 978.26411 82540-86-1<BR>112294-86-7 knapsack NA NA +FL5FAAGL0102 Kaempferol 3-(2''-sinapylglucoside)-7-sophoroside C44H50O25 978.26411 112208-89-6 knapsack NA NA +FL5FACGS0119 Quercetin 3-(6''-(E)-sinapoylsophoroside)-7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[[2-O-[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C44H50O25 978.26411 404843-89-6 knapsack NA NA +MJ099042 3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?2)-?-D-xylopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C44H50O25 978.264117 NA MeJP NA NA +MJ099043 3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(?2)-?-D-glucopyranosyl-(1?6)-[?-D-apiofuranosyl-(1?2)]-?-D-glucopyranoside] C44H50O25 978.264117 NA MeJP NA NA +MJ099044 Astragalin; 2''-O-(4-Hydroxy-3,5-dimethoxycinnamoyl), 7-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C44H50O25 978.264117 NA MeJP NA NA +MJ099045 Astragalin; 2''-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(?2)-?-D-glucopyranosyl], 7-O-?-D-glucopyranoside C44H50O25 978.264117 NA MeJP NA NA +MJ099046 Populnin; 3-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C44H50O25 978.264117 NA MeJP NA NA +MJ099047 Trifolin; 2''-O-[?-D-Glucopyranosyl-(1?4)-[(4-hydroxy-3,5-dimethoxycinnamoyl)-(?6)]-?-D-glucopyranosyl] C44H50O25 978.264117 NA MeJP NA NA +PJ111985 GTCCCCCMR C32H58N12O11S6 978.2673 NA PeJP NA NA +PJ111986 CDDDDEMH C35H50N10O19S2 978.2696 NA PeJP NA NA +PJ111987 SSSTCCCCW C36H54N10O14S4 978.2704 NA PeJP NA NA +PJ111988 CCCCCKMW C37H58N10O9S6 978.2713 NA PeJP NA NA +PJ111989 SSSSSSCCCE C32H54N10O19S3 978.2729 NA PeJP NA NA +PJ111990 CCDDDDFF C40H50N8O17S2 978.2736 NA PeJP NA NA +PJ111991 SSSCCCQMM C33H58N10O14S5 978.2738 NA PeJP NA NA +PJ111992 GCCCNNNDH C33H50N14O15S3 978.2743 NA PeJP NA NA +PJ111993 SCDDDMMY C37H54N8O17S3 978.2769 NA PeJP NA NA +PJ111994 PCCCEMMY C38H58N8O12S5 978.2778 NA PeJP NA NA +PJ111995 CCCDDHHF C38H50N12O13S3 978.2783 NA PeJP NA NA +MJ099048 Oxanthromicin; 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-galactopyranoside] C48H50O22 978.279373 NA MeJP NA NA +PJ111996 GSCCNDDEH C34H50N12O18S2 978.2808 NA PeJP NA NA +PJ111997 SCDMMMMM C35H62N8O12S6 978.2812 NA PeJP NA NA +PJ111998 CCCCNDRY C35H54N12O13S4 978.2817 NA PeJP NA NA +PJ111999 CCCCHHHH C36H50N16O9S4 978.283 NA PeJP NA NA +PJ112000 SSSCCCCMR C32H58N12O13S5 978.285 NA PeJP NA NA +PJ112001 GCCCNMYW C40H54N10O11S4 978.2857 NA PeJP NA NA +PJ112002 GPCNDDDDE C35H50N10O21S 978.2873 NA PeJP NA NA +PJ112003 GSSCCNDMY C36H54N10O16S3 978.2882 NA PeJP NA NA +PJ112004 CCCNQMMF C37H58N10O11S5 978.289 NA PeJP NA NA +PJ112005 GPCCCCCKY C37H58N10O11S5 978.2891 NA PeJP NA NA +PJ112006 GCDDDEYY C40H50N8O19S 978.2913 NA PeJP NA NA +PJ112007 GSSSSSCCMM C33H58N10O16S4 978.2915 NA PeJP NA NA +PJ112008 PCCCDEFY C41H54N8O14S3 978.2922 NA PeJP NA NA +PJ112009 GTCCCCKMM C34H62N10O11S6 978.2924 NA PeJP NA NA +PJ112010 GCDEMMMY C38H58N8O14S4 978.2956 NA PeJP NA NA +PJ112011 SCCNDDHW C38H50N12O15S2 978.296 NA PeJP NA NA +PJ112012 GGSCCDDHW C38H50N12O15S2 978.2961 NA PeJP NA NA +PJ112013 PCCCCQHW C39H54N12O10S4 978.2969 NA PeJP NA NA +PJ112014 SSSCNDDDH C34H50N12O20S 978.2985 NA PeJP NA NA +PJ112015 CNNDDMMH C35H54N12O15S3 978.2994 NA PeJP NA NA +PJ112016 ACMMMMMM C36H66N8O9S7 978.2998 NA PeJP NA NA +PJ112017 CCCCNMFR C36H58N12O10S5 978.3003 NA PeJP NA NA +PJ112018 PCNDDDDW C39H50N10O18S 978.3026 NA PeJP NA NA +PJ112019 SSCCCQYW C40H54N10O13S3 978.3034 NA PeJP NA NA +PJ112020 GGGGCCCEFF C40H54N10O13S3 978.3035 NA PeJP NA NA +PJ112021 NNDDDEEE C35H50N10O23 978.3051 NA PeJP NA NA +PJ112022 SSSSCCNEY C36H54N10O18S2 978.3059 NA PeJP NA NA +PJ112023 GGSPPCCDDE C36H54N10O18S2 978.306 NA PeJP NA NA +PJ112024 CDDDYYW C44H50N8O16S 978.3066 NA PeJP NA NA +PJ112025 SCCNQMMY C37H58N10O13S4 978.3068 NA PeJP NA NA +PJ112026 SSDDDDYY C40H50N8O21 978.3091 NA PeJP NA NA +PJ112027 SSSSSSTCCM C33H58N10O18S3 978.3093 NA PeJP NA NA +PJ112028 GCNNNNNDD C33H50N14O19S 978.3098 NA PeJP NA NA +PJ112029 SPCCDEYY C41H54N8O16S2 978.31 NA PeJP NA NA +PJ112030 SSSCCCKMM C34H62N10O13S5 978.3102 NA PeJP NA NA +PJ112031 CCCNDEHR C34H54N14O14S3 978.3106 NA PeJP NA NA +PJ112032 GGCCCDEHR C34H54N14O14S3 978.3107 NA PeJP NA NA +PJ112033 CDMMMYW C42H58N8O11S4 978.3108 NA PeJP NA NA +PJ112034 PDDDEEEM C37H54N8O21S 978.3125 NA PeJP NA NA +PJ112035 SSDDMMMY C38H58N8O16S3 978.3133 NA PeJP NA NA +PJ112036 CNNDDDHF C38H50N12O17S 978.3138 NA PeJP NA NA +PJ112037 PTCCMMMY C39H62N8O11S5 978.3142 NA PeJP NA NA +PJ112038 GCCNEMHW C39H54N12O12S3 978.3147 NA PeJP NA NA +PJ112039 NDDDDDDR C34H50N12O22 978.3163 NA PeJP NA NA +PJ112040 GSSCNDEMH C35H54N12O17S2 978.3172 NA PeJP NA NA +PJ112041 SSMMMMMM C36H66N8O11S6 978.3176 NA PeJP NA NA +PJ112042 SCCCNMRY C36H58N12O12S4 978.318 NA PeJP NA NA +PJ112043 GGGSPCCMMH C36H58N12O12S4 978.3181 NA PeJP NA NA +PJ112044 CCNNDHHH C36H50N16O13S2 978.3185 NA PeJP NA NA +PJ112045 GCCCNFFW C44H54N10O10S3 978.3187 NA PeJP NA NA +PJ112046 GNDDDEEW C39H50N10O20 978.3203 NA PeJP NA NA +PJ112047 GSSSSCCYW C40H54N10O15S2 978.3212 NA PeJP NA NA +PJ112048 ACCCCKYW C41H58N10O10S4 978.3221 NA PeJP NA NA +PJ112049 GSSSSSSCDY C36H54N10O20S 978.3237 NA PeJP NA NA +PJ112050 GSSSCNMMY C37H58N10O15S3 978.3246 NA PeJP NA NA +PJ112051 SCDDEHHH C37H50N14O16S 978.325 NA PeJP NA NA +PJ112052 CDDMFYW C45H54N8O13S2 978.3252 NA PeJP NA NA +PJ112053 CCCNKMMF C38H62N10O10S5 978.3254 NA PeJP NA NA +PJ112054 GCCCDHRW C38H54N14O11S3 978.3259 NA PeJP NA NA +PJ112055 GSDDEMYY C41H54N8O18S 978.3277 NA PeJP NA NA +PJ112056 GSSCCDDHR C34H54N14O16S2 978.3284 NA PeJP NA NA +PJ112057 GPCDMMYY C42H58N8O13S3 978.3286 NA PeJP NA NA +PJ112058 GPTCCCCHR C35H58N14O11S4 978.3293 NA PeJP NA NA +PJ112059 CMMMMFW C43H62N8O8S5 978.3295 NA PeJP NA NA +PJ112060 CCNMHWW C43H54N12O9S3 978.3299 NA PeJP NA NA +PJ112061 GEEEEEEE C37H54N8O23 978.3302 NA PeJP NA NA +PJ112062 SNNNDDDW C38H50N12O19 978.3316 NA PeJP NA NA +PJ112063 SVCDMMMY C39H62N8O13S4 978.3319 NA PeJP NA NA +PJ112064 GSEMMMMY C39H62N8O13S4 978.332 NA PeJP NA NA +PJ112065 SSCNDMHW C39H54N12O14S2 978.3324 NA PeJP NA NA +PJ112066 GGGGGGPCCEW C39H54N12O14S2 978.3325 NA PeJP NA NA +PJ112067 PCCCCKHW C40H58N12O9S4 978.3333 NA PeJP NA NA +PJ112068 GSPCDDDDR C35H54N12O19S 978.3349 NA PeJP NA NA +PJ112069 GGGGGGNDEEM C35H54N12O19S 978.335 NA PeJP NA NA +PJ112070 NDDDEWW C43H50N10O17 978.3356 NA PeJP NA NA +PJ112071 GSSTCCCRY C36H58N12O14S3 978.3358 NA PeJP NA NA +PJ112072 CCNQYYW C44H54N10O12S2 978.3364 NA PeJP NA NA +PJ112073 SPCDDQEW C40H54N10O17S 978.3389 NA PeJP NA NA +PJ112074 SPNDDDMW C40H54N10O17S 978.339 NA PeJP NA NA +PJ112075 SSCCCKYW C41H58N10O12S3 978.3398 NA PeJP NA NA +PJ112076 SNNEEEEE C36H54N10O22 978.3414 NA PeJP NA NA +PJ112077 GGSNEEEEE C36H54N10O22 978.3415 NA PeJP NA NA +PJ112078 SSSSSCQMY C37H58N10O17S2 978.3423 NA PeJP NA NA +PJ112079 SDDMYYW C45H54N8O15S 978.343 NA PeJP NA NA +PJ112080 SCCNKMMY C38H62N10O12S4 978.3432 NA PeJP NA NA +PJ112081 CCNNNQHF C38H54N14O13S2 978.3437 NA PeJP NA NA +PJ112082 CDMMFFW C46H58N8O10S3 978.3438 NA PeJP NA NA +PJ112083 EEEEEEW C41H54N8O20 978.3455 NA PeJP NA NA +PJ112084 ASCNNNNNE C34H54N14O18S 978.3461 NA PeJP NA NA +PJ112085 CNNNDDER C34H54N14O18S 978.3462 NA PeJP NA NA +PJ112086 NEEMMYY C42H58N8O15S2 978.3463 NA PeJP NA NA +PJ112087 SCCNEMHR C35H58N14O13S3 978.347 NA PeJP NA NA +PJ112088 SMMMMYW C43H62N8O10S4 978.3472 NA PeJP NA NA +PJ112089 GSTCCHWW C43H54N12O11S2 978.3477 NA PeJP NA NA +PJ112090 SPEEEEEM C38H58N8O20S 978.3488 NA PeJP NA NA +PJ112091 PTDEEEEM C38H58N8O20S 978.3489 NA PeJP NA NA +PJ112092 SSTEMMMY C39H62N8O15S3 978.3497 NA PeJP NA NA +PJ112093 GSSSSCEHW C39H54N12O16S 978.3502 NA PeJP NA NA +PJ112094 AAMMMMMY C40H66N8O10S5 978.3506 NA PeJP NA NA +PJ112095 GDDDWWW C47H50N10O14 978.3508 NA PeJP NA NA +PJ112096 PPCCCDRW C40H58N12O11S3 978.3511 NA PeJP NA NA +PJ112097 SNDDDEER C35H54N12O21 978.3527 NA PeJP NA NA +PJ112098 SSSSSCCRY C36H58N12O16S2 978.3535 NA PeJP NA NA +PJ112099 PCNDDEMR C36H58N12O16S2 978.3536 NA PeJP NA NA +PJ112100 NNNNDDHH C36H50N16O17 978.354 NA PeJP NA NA +PJ112101 GGGGGGNDDHH C36H50N16O17 978.3541 NA PeJP NA NA +PJ112102 GSPCDEWW C44H54N10O14S 978.3542 NA PeJP NA NA +PJ112103 TCCCCKRY C37H62N12O11S4 978.3544 NA PeJP NA NA +PJ112104 SCNNMHHH C37H54N16O12S2 978.3549 NA PeJP NA NA +PJ112105 GPPCCMWW C45H58N10O9S3 978.3551 NA PeJP NA NA +PJ112106 GSNEEEEW C40H54N10O19 978.3567 NA PeJP NA NA +PJ112107 GPNDEMMW C41H58N10O14S2 978.3576 NA PeJP NA NA +PJ112108 GDDDHHHF C41H50N14O15 978.3581 NA PeJP NA NA +PJ112109 CDDFFFW C49H54N8O12S 978.3582 NA PeJP NA NA +PJ112110 SCCCDHRR C34H58N16O12S3 978.3583 NA PeJP NA NA +PJ112111 CEMHHHW C42H54N14O10S2 978.3589 NA PeJP NA NA +PJ112112 GSSSSSSSMY C37H58N10O19S 978.3601 NA PeJP NA NA +PJ112113 GSPDDYYY C45H54N8O17 978.3607 NA PeJP NA NA +PJ112114 GSSTCCKMY C38H62N10O14S3 978.3609 NA PeJP NA NA +PJ112115 ATEEMMMH C38H62N10O14S3 978.361 NA PeJP NA NA +PJ112116 GCNNDDRW C38H54N14O15S 978.3614 NA PeJP NA NA +PJ112117 GGGGGGGGGGTCW C38H54N14O15S 978.3615 NA PeJP NA NA +PJ112118 GEMMYYW C46H58N8O12S2 978.3616 NA PeJP NA NA +PJ112119 APMMMMMH C39H66N10O9S5 978.3618 NA PeJP NA NA +PJ112120 GSCCMHRW C39H58N14O10S3 978.3623 NA PeJP NA NA +PJ112121 GCDHHHHH C39H50N18O11S 978.3628 NA PeJP NA NA +PJ112122 CCHHFFW C47H54N12O8S2 978.3629 NA PeJP NA NA +PJ112123 GSSNNDDDR C34H54N14O20 978.3639 NA PeJP NA NA +PJ112124 GGGGGGGGGGSSSE C34H54N14O20 978.364 NA PeJP NA NA +PJ112125 GSTEEMYY C42H58N8O17S 978.3641 NA PeJP NA NA +PJ112126 PCCDDDRR C35H58N14O15S2 978.3648 NA PeJP NA NA +PJ112127 GSPMMMYY C43H62N8O12S3 978.365 NA PeJP NA NA +PJ112128 SSSSCHWW C43H54N12O13S 978.3654 NA PeJP NA NA +PJ112129 GGGGGGDMWW C43H54N12O13S 978.3655 NA PeJP NA NA +PJ112130 GCNMMMHR C36H62N14O10S4 978.3657 NA PeJP NA NA +PJ112131 SVEEEEEE C38H58N8O22 978.3666 NA PeJP NA NA +PJ112132 PVDEEEMM C39H62N8O17S2 978.3675 NA PeJP NA NA +PJ112133 GTDDDDRW C39H54N12O18 978.3679 NA PeJP NA NA +PJ112134 GSDDDERW C39H54N12O18 978.368 NA PeJP NA NA +PJ112135 ATTMMMMY C40H66N8O12S4 978.3683 NA PeJP NA NA +PJ112136 GPCDDMRW C40H58N12O13S2 978.3688 NA PeJP NA NA +PJ112137 SPCDWWW C48H54N10O11S 978.3695 NA PeJP NA NA +MJ099049 Albomycin; Albomycin ?2, N-De-Me C36H58N12O18S 978.371273 NA MeJP NA NA +PJ112138 GNDEEEMR C36H58N12O18S 978.3713 NA PeJP NA NA +PJ112139 NNNEYYY C44H54N10O16 978.3719 NA PeJP NA NA +PJ112140 SNEEEWW C44H54N10O16 978.372 NA PeJP NA NA +PJ112141 GSPPCCEMR C37H62N12O13S3 978.3722 NA PeJP NA NA +PJ112142 GSSSCQHHH C37H54N16O14S 978.3727 NA PeJP NA NA +PJ112143 PNDMMWW C45H58N10O11S2 978.3728 NA PeJP NA NA +PJ112144 GGGGGCMFFF C45H58N10O11S2 978.3729 NA PeJP NA NA +PJ112145 QQEEEMW C41H58N10O16S 978.3753 NA PeJP NA NA +PJ112146 GGAAEEEMW C41H58N10O16S 978.3754 NA PeJP NA NA +PJ112147 GDEFYYW C49H54N8O14 978.376 NA PeJP NA NA +PJ112148 GGGGGGGGCNMR C34H58N16O14S2 978.3761 NA PeJP NA NA +PJ112149 SPPCQMMW C42H62N10O11S3 978.3762 NA PeJP NA NA +PJ112150 GPCNEHHW C42H54N14O12S 978.3767 NA PeJP NA NA +PJ112151 MMYYWW C50H58N8O9S2 978.3768 NA PeJP NA NA +PJ112152 ACCCMHRR C35H62N16O9S4 978.3769 NA PeJP NA NA +PJ112153 SSSSSSSSTY C37H58N10O21 978.3778 NA PeJP NA NA +PJ112154 GGSDKEEEE C37H58N10O21 978.3779 NA PeJP NA NA +PJ112155 SSSSSCKMY C38H62N10O16S2 978.3787 NA PeJP NA NA +PJ112156 GSSSNNNNW C38H54N14O17 978.3792 NA PeJP NA NA +PJ112157 STEMYYW C46H58N8O14S 978.3793 NA PeJP NA NA +PJ112158 GGPEMYYY C46H58N8O14S 978.3794 NA PeJP NA NA +PJ112159 TCCCKKMY C39H66N10O11S4 978.3796 NA PeJP NA NA +PJ112160 SSTCCHRW C39H58N14O12S2 978.38 NA PeJP NA NA +PJ112161 GGGGSPCCRW C39H58N14O12S2 978.3801 NA PeJP NA NA +PJ112162 AMMMFYW C47H62N8O9S3 978.3802 NA PeJP NA NA +PJ112163 GCNQWWW C47H54N12O10S 978.3807 NA PeJP NA NA +PJ112164 SSTTEEYY C42H58N8O19 978.3818 NA PeJP NA NA +PJ112165 SPPEEEEY C42H58N8O19 978.3819 NA PeJP NA NA +PJ112166 SSSSSCEHR C35H58N14O17S 978.3825 NA PeJP NA NA +PJ112167 GDDDDMRR C35H58N14O17S 978.3826 NA PeJP NA NA +PJ112168 DKEMMYY C43H62N8O14S2 978.3827 NA PeJP NA NA +PJ112169 SDDDRWW C43H54N12O15 978.3832 NA PeJP NA NA +PJ112170 SSCQMMHR C36H62N14O12S3 978.3834 NA PeJP NA NA +PJ112171 AAMMMMFF C44H66N8O9S4 978.3836 NA PeJP NA NA +PJ112172 PCCERWW C44H58N12O10S2 978.3841 NA PeJP NA NA +PJ112173 ALEEEEEM C39H62N8O19S 978.3852 NA PeJP NA NA +PJ112174 TTTTMMMY C40H66N8O14S3 978.3861 NA PeJP NA NA +PJ112175 NDEEMRW C40H58N12O15S 978.3866 NA PeJP NA NA +PJ112176 GSEEWWW C48H54N10O13 978.3872 NA PeJP NA NA +PJ112177 SPPCCMRW C41H62N12O10S3 978.3874 NA PeJP NA NA +PJ112178 GPPPCCCFR C41H62N12O10S3 978.3875 NA PeJP NA NA +PJ112179 GCNQHHHF C41H54N16O11S 978.3879 NA PeJP NA NA +PJ112180 APCMWWW C49H58N10O8S2 978.3881 NA PeJP NA NA +PJ112181 SSNEEEER C36H58N12O20 978.3891 NA PeJP NA NA +PJ112182 SPNDEMMR C37H62N12O15S2 978.3899 NA PeJP NA NA +PJ112183 PCDDDKMR C37H62N12O15S2 978.39 NA PeJP NA NA +PJ112184 GNDDEHHR C37H54N16O16 978.3904 NA PeJP NA NA +PJ112185 AQEEMWW C45H58N10O13S 978.3906 NA PeJP NA NA +PJ112186 PPCNMMMR C38H66N12O10S4 978.3908 NA PeJP NA NA +PJ112187 DFYYWW C53H54N8O11 978.3912 NA PeJP NA NA +PJ112188 SCCQKHHH C38H58N16O11S2 978.3913 NA PeJP NA NA +PJ112189 PMMMHFW C46H62N10O8S3 978.3915 NA PeJP NA NA +PJ112190 PCNHHWW C46H54N14O9S 978.3919 NA PeJP NA NA +PJ112191 GSDKEEEW C41H58N10O18 978.3931 NA PeJP NA NA +PJ112192 SCNNDDRR C34H58N16O16S 978.3938 NA PeJP NA NA +PJ112193 SEMMRYY C42H62N10O13S2 978.3939 NA PeJP NA NA +PJ112194 GPTQEMMW C42H62N10O13S2 978.394 NA PeJP NA NA +PJ112195 GNNNNNFW C42H54N14O14 978.3944 NA PeJP NA NA +PJ112196 GGGGGGGNNFW C42H54N14O14 978.3945 NA PeJP NA NA +PJ112197 GPMYYYW C50H58N8O11S 978.3946 NA PeJP NA NA +PJ112198 SSCCMHRR C35H62N16O11S3 978.3947 NA PeJP NA NA +PJ112199 LMMMMHW C43H66N10O8S4 978.3948 NA PeJP NA NA +PJ112200 CCQHFRW C43H58N14O9S2 978.3953 NA PeJP NA NA +PJ112201 GQKEEEEM C38H62N10O18S 978.3965 NA PeJP NA NA +PJ112202 VNEEYYY C46H58N8O16 978.3971 NA PeJP NA NA +PJ112203 STLEMMMH C39H66N10O13S3 978.3973 NA PeJP NA NA +PJ112204 GGGGPLEMMM C39H66N10O13S3 978.3974 NA PeJP NA NA +PJ112205 CDDERRW C39H58N14O14S 978.3978 NA PeJP NA NA +PJ112206 SVMMYYW C47H62N8O11S2 978.398 NA PeJP NA NA +PJ112207 SSNNWWW C47H54N12O12 978.3984 NA PeJP NA NA +PJ112208 GGSSNWWW C47H54N12O12 978.3985 NA PeJP NA NA +PJ112209 GVMMMHHH C40H62N14O9S3 978.3987 NA PeJP NA NA +PJ112210 GSMHHHHH C40H54N18O10S 978.3992 NA PeJP NA NA +PJ112211 SSDDDERR C35H58N14O19 978.4003 NA PeJP NA NA +PJ112212 SSSLEMYY C43H62N8O16S 978.4005 NA PeJP NA NA +PJ112213 SPCDDMRR C36H62N14O14S2 978.4012 NA PeJP NA NA +PJ112214 LQMMMYY C44H66N8O11S3 978.4013 NA PeJP NA NA +PJ112215 GALMMMYY C44H66N8O11S3 978.4014 NA PeJP NA NA +PJ112216 GDEMRWW C44H58N12O12S 978.4018 NA PeJP NA NA +PJ112217 GGGGGGGPMFW C44H58N12O12S 978.4019 NA PeJP NA NA +PJ112218 ACCKMMHR C37H66N14O9S4 978.4021 NA PeJP NA NA +PJ112219 SEWWWW C52H54N10O10 978.4025 NA PeJP NA NA +PJ112220 TTLEEEEE C39H62N8O21 978.403 NA PeJP NA NA +PJ112221 PTLEEEMM C40H66N8O16S2 978.4039 NA PeJP NA NA +PJ112222 GSSEEERW C40H58N12O17 978.4043 NA PeJP NA NA +PJ112223 GGGGGGGAPTEY C40H58N12O17 978.4044 NA PeJP NA NA +PJ112224 PPLEMMMM C41H70N8O11S4 978.4047 NA PeJP NA NA +PJ112225 GSPDMMRW C41H62N12O12S2 978.4052 NA PeJP NA NA +PJ112226 NDDHHRW C41H54N16O13 978.4057 NA PeJP NA NA +PJ112227 AAEMWWW C49H58N10O10S 978.4058 NA PeJP NA NA +PJ112228 GVDMWWW C49H58N10O10S 978.4059 NA PeJP NA NA +PJ112229 GTQEEEMR C37H62N12O17S 978.4077 NA PeJP NA NA +PJ112230 TTQEEWW C45H58N10O15 978.4083 NA PeJP NA NA +PJ112231 SDKEEWW C45H58N10O15 978.4084 NA PeJP NA NA +PJ112232 GPQEMMMR C38H66N12O12S3 978.4086 NA PeJP NA NA +PJ112233 SPCNEHHR C38H58N16O13S 978.409 NA PeJP NA NA +PJ112234 GGGGAQQMHH C38H58N16O13S 978.4091 NA PeJP NA NA +PJ112235 PTQMMWW C46H62N10O10S2 978.4092 NA PeJP NA NA +PJ112236 GQEHHWW C46H54N14O11 978.4097 NA PeJP NA NA +PJ112237 MFFYWW C54H58N8O8S 978.4099 NA PeJP NA NA +PJ112238 SSSSNNNNR C34H58N16O18 978.4115 NA PeJP NA NA +PJ112239 GGGGGGSSSSNR C34H58N16O18 978.4116 NA PeJP NA NA +PJ112240 QKEEEMW C42H62N10O15S 978.4117 NA PeJP NA NA +PJ112241 GVEYYYW C50H58N8O13 978.4124 NA PeJP NA NA +PJ112242 GPVQMMMW C43H66N10O10S3 978.4126 NA PeJP NA NA +PJ112243 SCNQRWW C43H58N14O11S 978.413 NA PeJP NA NA +PJ112244 GGSCQRWW C43H58N14O11S 978.4131 NA PeJP NA NA +PJ112245 AMMFFFW C51H62N8O8S2 978.4132 NA PeJP NA NA +PJ112246 STQKEEEE C38H62N10O20 978.4142 NA PeJP NA NA +PJ112247 SPQKEEMM C39H66N10O15S2 978.4151 NA PeJP NA NA +PJ112248 GNNQQQQY C39H58N14O16 978.4155 NA PeJP NA NA +PJ112249 SSSNNERW C39H58N14O16 978.4156 NA PeJP NA NA +PJ112250 PDKMYYY C47H62N8O13S 978.4157 NA PeJP NA NA +PJ112251 PPPDEMFF C47H62N8O13S 978.4158 NA PeJP NA NA +PJ112252 SVLMMMMH C40H70N10O10S4 978.416 NA PeJP NA NA +PJ112253 NNQMMRW C40H62N14O11S2 978.4164 NA PeJP NA NA +PJ112254 GGGGGAMMRW C40H62N14O11S2 978.4165 NA PeJP NA NA +PJ112255 SSTHHHHH C40H54N18O12 978.4169 NA PeJP NA NA +PJ112256 DMRWWW C48H58N12O9S 978.4171 NA PeJP NA NA +PJ112257 TTTTTEYY C43H62N8O18 978.4182 NA PeJP NA NA +PJ112258 APLEEEEY C43H62N8O18 978.4183 NA PeJP NA NA +PJ112259 GSDEEMRR C36H62N14O16S 978.4189 NA PeJP NA NA +PJ112260 GGGGGGTTEMR C36H62N14O16S 978.419 NA PeJP NA NA +PJ112261 GTTLMMYY C44H66N8O13S2 978.4191 NA PeJP NA NA +PJ112262 SSEERWW C44H58N12O14 978.4196 NA PeJP NA NA +PJ112263 GPCEMMRR C37H66N14O11S3 978.4198 NA PeJP NA NA +PJ112264 GNNNMHHR C37H58N18O12S 978.4203 NA PeJP NA NA +PJ112265 PTCMRWW C45H62N12O9S2 978.4205 NA PeJP NA NA +PJ112266 PEHHHHW C45H54N16O10 978.4209 NA PeJP NA NA +PJ112267 CLWWWW C53H58N10O7S 978.4211 NA PeJP NA NA +PJ112268 SLLEEEEM C40H66N8O18S 978.4216 NA PeJP NA NA +PJ112269 PVLEEMMM C41H70N8O13S3 978.4225 NA PeJP NA NA +PJ112270 TQEEMRW C41H62N12O14S 978.4229 NA PeJP NA NA +PJ112271 GATEEMRW C41H62N12O14S 978.423 NA PeJP NA NA +PJ112272 ATTEWWW C49H58N10O12 978.4236 NA PeJP NA NA +PJ112273 GCCNDRRR C34H62N18O12S2 978.4237 NA PeJP NA NA +PJ112274 PQMMMRW C42H66N12O9S3 978.4238 NA PeJP NA NA +PJ112275 GSPCHHRW C42H58N16O10S 978.4243 NA PeJP NA NA +PJ112276 QHHWWW C50H54N14O8 978.4249 NA PeJP NA NA +PJ112277 GAHHWWW C50H54N14O8 978.425 NA PeJP NA NA +PJ112278 SSSSPTEER C37H62N12O19 978.4254 NA PeJP NA NA +PJ112279 SSDKEEER C37H62N12O19 978.4255 NA PeJP NA NA +PJ112280 GVQEEMMR C38H66N12O14S2 978.4263 NA PeJP NA NA +PJ112281 GGGGGGVKEMM C38H66N12O14S2 978.4264 NA PeJP NA NA +PJ112282 GNNNNQRY C38H58N16O15 978.4268 NA PeJP NA NA +PJ112283 AKEEMWW C46H62N10O12S 978.427 NA PeJP NA NA +PJ112284 ACKKMMMH C39H70N12O9S4 978.4272 NA PeJP NA NA +PJ112285 VYYYWW C54H58N8O10 978.4276 NA PeJP NA NA +PJ112286 CNNMRRW C39H62N16O10S2 978.4277 NA PeJP NA NA +PJ112287 CLHHHFW C47H58N14O8S 978.4283 NA PeJP NA NA +PJ112288 GTTKEEEW C42H62N10O17 978.4295 NA PeJP NA NA +PJ112289 SSNNDMRR C35H62N16O15S 978.4302 NA PeJP NA NA +PJ112290 SSPLQMMW C43H66N10O12S2 978.4303 NA PeJP NA NA +PJ112291 GPTKEMMW C43H66N10O12S2 978.4304 NA PeJP NA NA +PJ112292 GSSSNRWW C43H58N14O13 978.4308 NA PeJP NA NA +PJ112293 GLMFYYW C51H62N8O10S 978.431 NA PeJP NA NA +PJ112294 GGPCCCKRR C36H66N16O10S3 978.4311 NA PeJP NA NA +PJ112295 CCKHFRW C44H62N14O8S2 978.4317 NA PeJP NA NA +PJ112296 QHHHHHF C44H54N18O9 978.4322 NA PeJP NA NA +PJ112297 GSPTTKEEM C39H66N10O17S 978.4328 NA PeJP NA NA +PJ112298 GKKEEEEM C39H66N10O17S 978.4329 NA PeJP NA NA +MJ099050 Microsclerodermin A; 46-Deoxy C47H62N8O15 978.433463 NA MeJP NA NA +PJ112299 VDKEYYY C47H62N8O15 978.4335 NA PeJP NA NA +PJ112300 PVNKEMMM C40H70N10O12S3 978.4337 NA PeJP NA NA +PJ112301 SDEMRRW C40H62N14O13S 978.4342 NA PeJP NA NA +PJ112302 PKMMFYY C48H66N8O10S2 978.4344 NA PeJP NA NA +PJ112303 GPDRYWW C48H58N12O11 978.4348 NA PeJP NA NA +PJ112304 GGGAAQFWW C48H58N12O11 978.4349 NA PeJP NA NA +PJ112305 PCMMRRW C41H66N14O8S3 978.4351 NA PeJP NA NA +PJ112306 SSSEEERR C36H62N14O18 978.4367 NA PeJP NA NA +PJ112307 STTTLMYY C44H66N8O15S 978.4369 NA PeJP NA NA +PJ112308 VTNNNMMR C37H66N14O13S2 978.4375 NA PeJP NA NA +PJ112309 QEEMMRR C37H66N14O13S2 978.4376 NA PeJP NA NA +PJ112310 LKMMMYY C45H70N8O10S3 978.4377 NA PeJP NA NA +PJ112311 GSDDHHRR C37H58N18O14 978.438 NA PeJP NA NA +PJ112312 GGGGGGSTHHR C37H58N18O14 978.4381 NA PeJP NA NA +PJ112313 ATEMRWW C45H62N12O11S 978.4382 NA PeJP NA NA +PJ112314 AAPYWWW C53H58N10O9 978.4389 NA PeJP NA NA +PJ112315 VVLEEEMM C41H70N8O15S2 978.4402 NA PeJP NA NA +PJ112316 LLLDDEMM C41H70N8O15S2 978.4403 NA PeJP NA NA +PJ112317 GTTTEERW C41H62N12O16 978.4407 NA PeJP NA NA +PJ112318 VQEMMRW C42H66N12O11S2 978.4416 NA PeJP NA NA +PJ112319 SQEHHRW C42H58N16O12 978.442 NA PeJP NA NA +PJ112320 GGTEHHRW C42H58N16O12 978.4421 NA PeJP NA NA +PJ112321 GTLMWWW C50H62N10O9S 978.4422 NA PeJP NA NA +PJ112322 FFFFWW C58H58N8O7 978.4429 NA PeJP NA NA +PJ112323 GTKEEEMR C38H66N12O16S 978.4441 NA PeJP NA NA +PJ112324 TTKEEWW C46H62N10O14 978.4447 NA PeJP NA NA +PJ112325 GGAALEEFW C46H62N10O14 978.4448 NA PeJP NA NA +PJ112326 GPKEMMMR C39H70N12O11S3 978.445 NA PeJP NA NA +PJ112327 GSSCQRRW C39H62N16O12S 978.4454 NA PeJP NA NA +PJ112328 GGGGGGPPMHR C39H62N16O12S 978.4455 NA PeJP NA NA +PJ112329 PTKMMWW C47H66N10O9S2 978.4456 NA PeJP NA NA +PJ112330 GNNFRWW C47H58N14O10 978.4461 NA PeJP NA NA +PJ112331 GSSSSNERR C35H62N16O17 978.4479 NA PeJP NA NA +PJ112332 KKEEEMW C43H66N10O14S 978.4481 NA PeJP NA NA +PJ112333 ATLYYYW C51H62N8O12 978.4487 NA PeJP NA NA +PJ112334 GGPLFYYY C51H62N8O12 978.4488 NA PeJP NA NA +PJ112335 GPVKMMMW C44H70N10O9S3 978.449 NA PeJP NA NA +PJ112336 SCNKRWW C44H62N14O10S 978.4494 NA PeJP NA NA +PJ112337 GGSCKRWW C44H62N14O10S 978.4495 NA PeJP NA NA +PJ112338 APPHWWW C52H58N12O8 978.4501 NA PeJP NA NA +PJ112339 STKKEEEE C39H66N10O19 978.4506 NA PeJP NA NA +PJ112340 SPKKEEMM C40H70N10O14S2 978.4515 NA PeJP NA NA +PJ112341 SSSNDKRW C40H62N14O15 978.4519 NA PeJP NA NA +PJ112342 GGSSSDKRW C40H62N14O15 978.452 NA PeJP NA NA +PJ112343 VLQMYYY C48H66N8O12S 978.4521 NA PeJP NA NA +PJ112344 AEMMRRW C41H66N14O10S2 978.4528 NA PeJP NA NA +PJ112345 GVQQHHHH C41H58N18O11 978.4533 NA PeJP NA NA +PJ112346 GPMFRWW C49H62N12O8S 978.4535 NA PeJP NA NA +PJ112347 SPLLEEEY C44H66N8O17 978.4546 NA PeJP NA NA +PJ112348 GTTEEMRR C37H66N14O15S 978.4553 NA PeJP NA NA +PJ112349 PPVLEMMY C45H70N8O12S2 978.4555 NA PeJP NA NA +PJ112350 TTTERWW C45H62N12O13 978.456 NA PeJP NA NA +PJ112351 GPTMMMRR C38H70N14O10S3 978.4562 NA PeJP NA NA +PJ112352 NEMHHRR C38H62N18O11S 978.4567 NA PeJP NA NA +PJ112353 GLMMRWW C46H66N12O8S2 978.4568 NA PeJP NA NA +PJ112354 GTHHRWW C46H58N16O9 978.4573 NA PeJP NA NA +PJ112355 TKEEMRW C42H66N12O13S 978.4593 NA PeJP NA NA +PJ112356 GGGSKKEMW C42H66N12O13S 978.4594 NA PeJP NA NA +PJ112357 STTLWWW C50H62N10O11 978.46 NA PeJP NA NA +PJ112358 PKMMMRW C43H70N12O8S3 978.4602 NA PeJP NA NA +PJ112359 VNMHHRW C43H62N16O9S 978.4607 NA PeJP NA NA +PJ112360 KHHWWW C51H58N14O7 978.4613 NA PeJP NA NA +PJ112361 STTKEEER C38H66N12O18 978.4618 NA PeJP NA NA +PJ112362 GGGSSTKKEE C38H66N12O18 978.4619 NA PeJP NA NA +PJ112363 GVKEEMMR C39H70N12O13S2 978.4627 NA PeJP NA NA +PJ112364 SSSSNRRW C39H62N16O14 978.4632 NA PeJP NA NA +PJ112365 ALMRYYY C47H66N10O11S 978.4633 NA PeJP NA NA +PJ112366 SLKEMWW C47H66N10O11S 978.4634 NA PeJP NA NA +PJ112367 GLFFFYW C55H62N8O9 978.464 NA PeJP NA NA +PJ112368 CCQKRRW C40H66N16O9S2 978.4641 NA PeJP NA NA +PJ112369 QQHHHHR C40H58N20O10 978.4645 NA PeJP NA NA +PJ112370 APTTTTTTW C43H66N10O16 978.4658 NA PeJP NA NA +PJ112371 SSTLKEEW C43H66N10O16 978.4659 NA PeJP NA NA +PJ112372 SSSQQMRR C36H66N16O14S 978.4665 NA PeJP NA NA +PJ112373 GGSSTQMRR C36H66N16O14S 978.4666 NA PeJP NA NA +PJ112374 AALKEMMW C44H70N10O11S2 978.4667 NA PeJP NA NA +PJ112375 GGGGPLLMMF C44H70N10O11S2 978.4668 NA PeJP NA NA +PJ112376 SPDRRYW C44H62N14O12 978.4672 NA PeJP NA NA +PJ112377 PKMFFFY C52H66N8O9S 978.4674 NA PeJP NA NA +PJ112378 CDHHRRR C37H62N20O10S 978.4679 NA PeJP NA NA +PJ112379 KHHHHHF C45H58N18O8 978.4686 NA PeJP NA NA +PJ112380 SVKKEEEM C40H70N10O16S 978.4692 NA PeJP NA NA +PJ112381 TLKEYYY C48H66N8O14 978.4699 NA PeJP NA NA +PJ112382 PVDKKMMM C41H74N10O11S3 978.4701 NA PeJP NA NA +PJ112383 TTEMRRW C41H66N14O12S 978.4706 NA PeJP NA NA +PJ112384 LKMMFFY C49H70N8O9S2 978.4708 NA PeJP NA NA +PJ112385 APTRYWW C49H62N12O10 978.4712 NA PeJP NA NA +PJ112386 GMHHRRW C42H62N18O8S 978.4719 NA PeJP NA NA +PJ112387 STTTEERR C37H66N14O17 978.4731 NA PeJP NA NA +PJ112388 PVVLEEMY C45H70N8O14S 978.4733 NA PeJP NA NA +PJ112389 KEEMMRR C38H70N14O12S2 978.4739 NA PeJP NA NA +PJ112390 GSLEMMRR C38H70N14O12S2 978.474 NA PeJP NA NA +PJ112391 PPLLMMMF C46H74N8O9S3 978.4741 NA PeJP NA NA +PJ112392 GSTEHHRR C38H62N18O13 978.4744 NA PeJP NA NA +PJ112393 STLMRWW C46H66N12O10S 978.4746 NA PeJP NA NA +PJ112394 AALFWWW C54H62N10O8 978.4752 NA PeJP NA NA +PJ112395 GVVFWWW C54H62N10O8 978.4753 NA PeJP NA NA +PJ112396 TLLLEEMM C42H74N8O14S2 978.4766 NA PeJP NA NA +PJ112397 SSTTLERW C42H66N12O15 978.4771 NA PeJP NA NA +PJ112398 PLLLMMMM C43H78N8O9S4 978.4775 NA PeJP NA NA +PJ112399 SSSCQRRR C35H66N18O13S 978.4778 NA PeJP NA NA +PJ112400 VKEMMRW C43H70N12O10S2 978.478 NA PeJP NA NA +PJ112401 GNQRRYW C43H62N16O11 978.4784 NA PeJP NA NA +PJ112402 GGGGARRYW C43H62N16O11 978.4785 NA PeJP NA NA +PJ112403 PCLKFWW C51H66N10O8S 978.4786 NA PeJP NA NA +PJ112404 SSLKEEMR C39H70N12O15S 978.4805 NA PeJP NA NA +PJ112405 SSSTLLWW C47H66N10O13 978.4811 NA PeJP NA NA +PJ112406 SPVKMMMR C40H74N12O10S3 978.4813 NA PeJP NA NA +PJ112407 AAAVVMMMR C40H74N12O10S3 978.4814 NA PeJP NA NA +PJ112408 GSSCKRRW C40H66N16O11S 978.4818 NA PeJP NA NA +PJ112409 VVKMMWW C48H70N10O8S2 978.482 NA PeJP NA NA +PJ112410 EFRRWW C48H62N14O9 978.4825 NA PeJP NA NA +PJ112411 GSSSSDKRR C36H66N16O16 978.4843 NA PeJP NA NA +PJ112412 ATTLKEMW C44H70N10O13S 978.4845 NA PeJP NA NA +PJ112413 PVKFYYY C52H66N8O11 978.4851 NA PeJP NA NA +PJ112414 TEMMRRR C37H70N16O11S2 978.4852 NA PeJP NA NA +PJ112415 APMRRYW C45H66N14O9S 978.4858 NA PeJP NA NA +PJ112416 VFRWWW C53H62N12O7 978.4865 NA PeJP NA NA +PJ112417 SSSSLLKEE C40H70N10O18 978.487 NA PeJP NA NA +PJ112418 ALKKEEMM C41H74N10O13S2 978.4879 NA PeJP NA NA +8274 Antioxidative peptide LPTSEAAKY 978.488 NA ;SYN:(2S,5R)-2,6-diamino-5-hydroxyhexanoic acid; (2S,5R)-5-hydroxylysine; 5-hydroxy-L-lysine; Alpha,epsilon-diamino-delta-hydroxycaproic acid; Delta-DL-hydroxylysine; erythro-5-hydroxy-L-lysine; Hydroxylysine; hydroxy-Lysine; L-normal-5-hydroxylysine; procollagen 5-hydroxy-L-lysine; Procollagen L-erythro-5-hydroxy-L-lysine; (5R)-5-hydroxy-L-lysine; L-d-Hydroxylysine; 5-hydroxy-Lysine; d-Hydroxy-L-lysine; d-Hydroxylysine; L-delta-Hydroxylysine; delta-Hydroxy-L-lysine; delta-Hydroxylysine; (2S,5R)-2,6-diamino-5-hydroxyhexanoate; Alpha,epsilon-diamino-delta-hydroxycaproateH2Blood; Urine Inhouse_peptide NA peptide +8277 Anticancer peptide LPTSEAAKY 978.488 NA ;SYN:(-)-2-Aminobutyric acid; (2S)-2-aminobutanoic acid; (S)-2-Aminobutanoate; (S)-2-Aminobutanoic acid; (S)-2-Aminobutyric acid; 2S-amino-butanoic acid; 2-Aminobutanoic acid; Alpha-aminobutyric acid; L-(+)-2-aminobutyric acid; L-2-Aminobuttersaeure; L-2-Aminobutyric acid; L-alpha-amino-n-butyric acid; L-alpha-aminobutyrate; L-butyrine; S-Butyrine; (S)-2-amino-Butanoic acid; (+)-2-Aminobutanoic acid; (+)-2-Aminobutyric acid; (+)-alpha-Aminobutyric acid; (S)-(+)-alpha-Aminobutyric acid; L-2-Amino-n-butyric acid; L-a-aminobutyric acid; L-Ethylglycine; (2S)-2-aminobutanoate; 2S-amino-butanoate; 2-Aminobutanoate; (S)-2-amino-Butanoate; (+)-2-Aminobutanoate; L-alpha-aminobutyric acid; 2-aminobutyrateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ112419 SSSTQKRW C41H66N14O14 978.4883 NA PeJP NA NA +PJ112420 GGGGGVKERY C41H66N14O14 978.4884 NA PeJP NA NA +PJ112421 VLKMYYY C49H70N8O11S 978.4885 NA PeJP NA NA +PJ112422 SLMMRRW C42H70N14O9S2 978.4892 NA PeJP NA NA +PJ112423 STHHRRW C42H62N18O10 978.4897 NA PeJP NA NA +PJ112424 ALLLEEEY C45H70N8O16 978.491 NA PeJP NA NA +PJ112425 SSTLEMRR C38H70N14O14S 978.4917 NA PeJP NA NA +PJ112426 PVLLEMMF C46H74N8O11S2 978.4919 NA PeJP NA NA +PJ112427 ASSSKKWW C46H66N12O12 978.4923 NA PeJP NA NA +PJ112428 GSSTKKWW C46H66N12O12 978.4924 NA PeJP NA NA +PJ112429 AALMMMRR C39H74N14O9S3 978.4926 NA PeJP NA NA +PJ112430 CNQFRRR C39H66N18O10S 978.493 NA PeJP NA NA +PJ112431 GGCQFRRR C39H66N18O10S 978.4931 NA PeJP NA NA +PJ112432 LLHHHHW C47H62N16O8 978.4937 NA PeJP NA NA +PJ112433 VLLLEMMM C43H78N8O11S3 978.4953 NA PeJP NA NA +PJ112434 GSSSSSRRR C35H66N18O15 978.4955 NA PeJP NA NA +PJ112435 SSSLLMRW C43H70N12O12S 978.4957 NA PeJP NA NA +PJ112436 GGGGGGVLKMF C43H70N12O12S 978.4958 NA PeJP NA NA +PJ112437 SPLKYWW C51H66N10O10 978.4964 NA PeJP NA NA +PJ112438 PPMHRRW C44H66N16O8S 978.4971 NA PeJP NA NA +PJ112439 SSSSTLLER C39H70N12O17 978.4982 NA PeJP NA NA +PJ112440 ATLKEMMR C40H74N12O12S2 978.4991 NA PeJP NA NA +PJ112441 AEERRRY C40H66N16O13 978.4996 NA PeJP NA NA +PJ112442 CKKKFYY C48H70N10O10S 978.4997 NA PeJP NA NA +PJ112443 AAPLKMYW C48H70N10O10S 978.4998 NA PeJP NA NA +PJ112444 CCKKRRW C41H70N16O8S2 978.5004 NA PeJP NA NA +PJ112445 QKHHHHR C41H62N20O9 978.5009 NA PeJP NA NA +PJ112446 TTTTLKEW C44H70N10O15 978.5022 NA PeJP NA NA +PJ112447 SPVKKEEY C44H70N10O15 978.5023 NA PeJP NA NA +PJ112448 SSSQKMRR C37H70N16O13S 978.5029 NA PeJP NA NA +PJ112449 GTLLKMMW C45H74N10O10S2 978.5031 NA PeJP NA NA +PJ112450 GLERRYW C45H66N14O11 978.5036 NA PeJP NA NA +PJ112451 VMMMRRR C38H74N16O8S3 978.5038 NA PeJP NA NA +PJ112452 SMHHRRR C38H66N20O9S 978.5043 NA PeJP NA NA +PJ112453 TTLKKEEM C41H74N10O15S 978.5056 NA PeJP NA NA +PJ112454 PPVVLEYY C49H70N8O13 978.5063 NA PeJP NA NA +PJ112455 PTLKKMMM C42H78N10O10S3 978.5065 NA PeJP NA NA +PJ112456 GSSKKMRW C42H70N14O11S 978.507 NA PeJP NA NA +PJ112457 GVLRYWW C50H66N12O9 978.5076 NA PeJP NA NA +PJ112458 SSSSSLQKR C38H70N14O16 978.5094 NA PeJP NA NA +PJ112459 GSSSTKKER C38H70N14O16 978.5095 NA PeJP NA NA +PJ112460 PTLLLEMY C46H74N8O13S 978.5096 NA PeJP NA NA +PJ112461 VVLLEEMF C46H74N8O13S 978.5097 NA PeJP NA NA +PJ112462 ATTLMMRR C39H74N14O11S2 978.5103 NA PeJP NA NA +PJ112463 SNQRRRY C39H66N18O12 978.5108 NA PeJP NA NA +PJ112464 TCKKKWW C47H70N12O9S 978.511 NA PeJP NA NA +PJ112465 TTTTTLRW C43H70N12O14 978.5135 NA PeJP NA NA +PJ112466 SSSCKRRR C36H70N18O12S 978.5142 NA PeJP NA NA +PJ112467 QKKKMMW C44H74N12O9S2 978.5144 NA PeJP NA NA +PJ112468 GNKRRYW C44H66N16O10 978.5148 NA PeJP NA NA +PJ112469 SSSSVLLMR C40H74N12O14S 978.5168 NA PeJP NA NA +PJ112470 TTTLKEMR C40H74N12O14S 978.5169 NA PeJP NA NA +PJ112471 LLQKEYW C48H70N10O12 978.5175 NA PeJP NA NA +PJ112472 GLLKMMMR C41H78N12O9S3 978.5177 NA PeJP NA NA +PJ112473 PTMRRRY C41H70N16O10S 978.5182 NA PeJP NA NA +PJ112474 LRRYWW C49H66N14O8 978.5188 NA PeJP NA NA +PJ112475 PVVHRWW C49H66N14O8 978.5189 NA PeJP NA NA +PJ112476 GSSSTTKRR C37H70N16O15 978.5207 NA PeJP NA NA +PJ112477 STTLLKMW C45H74N10O12S 978.5209 NA PeJP NA NA +PJ112478 VLKFFYY C53H70N8O10 978.5215 NA PeJP NA NA +PJ112479 GTCKKMRR C38H74N16O10S2 978.5216 NA PeJP NA NA +PJ112480 GSPNHRRR C38H66N20O11 978.522 NA PeJP NA NA +PJ112481 GGGSPHRRR C38H66N20O11 978.5221 NA PeJP NA NA +PJ112482 ALMFRRW C46H70N14O8S 978.5222 NA PeJP NA NA +PJ112483 SSTTTLLKE C41H74N10O17 978.5234 NA PeJP NA NA +PJ112484 SSCCLLLLK C42H78N10O12S2 978.5242 NA PeJP NA NA +PJ112485 SLLKKEMM C42H78N10O12S2 978.5243 NA PeJP NA NA +PJ112486 SSSTKKRW C42H70N14O13 978.5247 NA PeJP NA NA +PJ112487 GGGGGGAALLLH C42H70N14O13 978.5248 NA PeJP NA NA +PJ112488 PPVLLMFY C50H74N8O10S 978.5249 NA PeJP NA NA +PJ112489 CKKKMRW C43H74N14O8S2 978.5256 NA PeJP NA NA +PJ112490 VQHHFRR C43H66N18O9 978.5261 NA PeJP NA NA +PJ112491 SLLLLEEY C46H74N8O15 978.5274 NA PeJP NA NA +PJ112492 TTTTLMRR C39H74N14O13S 978.5281 NA PeJP NA NA +PJ112493 PVLLLMMY C47H78N8O10S2 978.5283 NA PeJP NA NA +PJ112494 VVKERYW C47H70N12O11 978.5287 NA PeJP NA NA +PJ112495 GGGALKKYW C47H70N12O11 978.5288 NA PeJP NA NA +PJ112496 CNKFRRR C40H70N18O9S 978.5294 NA PeJP NA NA +PJ112497 GTTKKKMW C44H74N12O11S 978.5321 NA PeJP NA NA +PJ112498 ALLKYWW C52H70N10O9 978.5328 NA PeJP NA NA +PJ112499 SSTTTTLLR C40H74N12O16 978.5346 NA PeJP NA NA +PJ112500 STLLKMMR C41H78N12O11S2 978.5355 NA PeJP NA NA +PJ112501 TQQKRRY C41H70N16O12 978.5359 NA PeJP NA NA +PJ112502 SLERRRY C41H70N16O12 978.536 NA PeJP NA NA +PJ112503 AALLKMFW C49H74N10O9S 978.5361 NA PeJP NA NA +PJ112504 AHHFRRR C42H66N20O8 978.5373 NA PeJP NA NA +PJ112505 GLLKKEEY C45H74N10O14 978.5386 NA PeJP NA NA +PJ112506 GPPPLLKEE C45H74N10O14 978.5387 NA PeJP NA NA +PJ112507 SSSKKMRR C38H74N16O12S 978.5393 NA PeJP NA NA +PJ112508 PVVKKMMF C46H78N10O9S2 978.5395 NA PeJP NA NA +MJ099051 20,24-Epoxydammarane-3,12,23,25,28-pentol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] C48H82O20 978.539945 NA MeJP NA NA +MJ099052 21,28-Epoxy-3,18,23,29-baccharanetetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 23-O-?-D-glucopyranoside C48H82O20 978.539945 NA MeJP NA NA +MJ099053 21-Baccharene-3,18,23,28,29-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 23-O-?-D-glucopyranoside C48H82O20 978.539945 NA MeJP NA NA +MJ099054 Antibiotic CP 63693 C48H82O20 978.539945 NA MeJP NA NA +MJ099055 Antibiotic YL 02107Q-A; 6-Hydroxy C48H82O20 978.539945 NA MeJP NA NA +MJ099056 Cucurbit-5-ene-3,11,20,24,25-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 25-O-?-D-glucopyranoside C48H82O20 978.539945 NA MeJP NA NA +MJ099057 Cycloartane-3,6,16,24,25-pentol, 3,6,24-Tri-O-?-D-glucopyranoside C48H82O20 978.539945 NA MeJP NA NA +MJ099058 Dammar-23-ene-3,12,20,25-tetrol, 25-Hydroperoxide, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H82O20 978.539945 NA MeJP NA NA +MJ099059 Dammar-24-ene-1,3,12,20,26-pentol, 3-O-?-D-Glucopyranoside, 20-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] C48H82O20 978.539945 NA MeJP NA NA +MJ099060 Dammar-25-ene-3,12,20,24-tetrol, 24-Hydroperoxide, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H82O20 978.539945 NA MeJP NA NA +MJ099061 Mammoside I; 1?3''-Lactone, 2''',4''''-bis(2-methylpropanoyl) C48H82O20 978.539945 NA MeJP NA NA +MJ099062 Merremoside I; 1?3'' Lactone, 2''',4''''-bis(2-methylpropanoyl) C48H82O20 978.539945 NA MeJP NA NA +MJ099063 Merremoside I; 1?3'' Lactone, 3''',3''''-bis(2-methylpropanoyl) C48H82O20 978.539945 NA MeJP NA NA +MJ099064 Merremoside I; 1?3'' Lactone, 3''',4''''-bis(2-methylpropanoyl) C48H82O20 978.539945 NA MeJP NA NA +PJ112509 SVLRRYW C46H70N14O10 978.54 NA PeJP NA NA +7658 ACE inhibitor from as2-CN (174-811) FALPQYLK 978.54 antioxidative Inhouse_peptide NA peptide +8151 peptide derived from bovine aS2-casein (174û181) FALPQYLK 978.54 stimulating Inhouse_peptide NA peptide +PJ112510 SSSTLLLKM C42H78N10O14S 978.542 NA PeJP NA NA +PJ112511 PPTLLLYY C50H74N8O12 978.5427 NA PeJP NA NA +PJ112512 VVLKKMMM C43H82N10O9S3 978.5429 NA PeJP NA NA +PJ112513 LLQMRRY C43H74N14O10S 978.5433 NA PeJP NA NA +PJ112514 GALLMRRY C43H74N14O10S 978.5434 NA PeJP NA NA +PJ112515 GKKKFWW C51H70N12O8 978.544 NA PeJP NA NA +PJ112516 SSSSSLKKR C39H74N14O15 978.5458 NA PeJP NA NA +PJ112517 VVLLLEMY C47H78N8O12S 978.546 NA PeJP NA NA +PJ112518 GTKKKMMR C40H78N14O10S2 978.5467 NA PeJP NA NA +PJ112519 SNKRRRY C40H70N18O11 978.5472 NA PeJP NA NA +PJ112520 VLKMFRW C48H74N12O8S 978.5474 NA PeJP NA NA +PJ112521 STTTKKKW C44H74N12O13 978.5499 NA PeJP NA NA +PJ112522 KKKKMMW C45H78N12O8S2 978.5507 NA PeJP NA NA +PJ112523 PQKKHRW C45H70N16O9 978.5512 NA PeJP NA NA +PJ112524 STKKKKEM C41H78N12O13S 978.5532 NA PeJP NA NA +PJ112525 LLKKEYW C49H74N10O11 978.5539 NA PeJP NA NA +PJ112526 VVMRRRY C42H74N16O9S 978.5546 NA PeJP NA NA +PJ112527 SPLLKKMY C46H78N10O11S 978.5573 NA PeJP NA NA +PJ112528 PPVLLFFF C54H74N8O9 978.5579 NA PeJP NA NA +PJ112529 VQQHRRR C39H70N20O10 978.5584 NA PeJP NA NA +PJ112530 TTTTTTLLK C42H78N10O16 978.5598 NA PeJP NA NA +PJ112531 GTTLLRRY C43H74N14O12 978.5611 NA PeJP NA NA +PJ112532 PVLLLMFF C51H78N8O9S 978.5613 NA PeJP NA NA +PJ112533 VKHHFRR C44H70N18O8 978.5624 NA PeJP NA NA +PJ112534 STTKKKMR C40H78N14O12S 978.5645 NA PeJP NA NA +PJ112535 VLLLLMMF C48H82N8O9S2 978.5647 NA PeJP NA NA +PJ112536 TLLKRYW C48H74N12O10 978.5651 NA PeJP NA NA +PJ112537 GVLLKMRY C45H78N12O10S 978.5685 NA PeJP NA NA +PJ112538 AQHRRRR C38H70N22O9 978.5697 NA PeJP NA NA +PJ112539 SSSTTLKKK C41H78N12O15 978.571 NA PeJP NA NA +PJ112540 SVKKKKMM C42H82N12O10S2 978.5719 NA PeJP NA NA +PJ112541 TQKKRRY C42H74N16O11 978.5723 NA PeJP NA NA +PJ112542 GVLLEHRR C42H74N16O11 978.5724 NA PeJP NA NA +PJ112543 SVLLKKEY C46H78N10O13 978.575 NA PeJP NA NA +PJ112544 AKKKRYW C47H74N14O9 978.5764 NA PeJP NA NA +PJ112545 PVVLLLYY C51H78N8O11 978.579 NA PeJP NA NA +PJ112546 VVLLLEFF C51H78N8O11 978.5791 NA PeJP NA NA +PJ112547 LLKMRRY C44H78N14O9S 978.5797 NA PeJP NA NA +PJ112548 TLLLLLMY C48H82N8O11S 978.5824 NA PeJP NA NA +PJ112549 LLEHRRR C41H74N18O10 978.5836 NA PeJP NA NA +PJ112550 VTTQKKKF C45H78N12O12 978.5862 NA PeJP NA NA +PJ112551 SSLLLKRY C45H78N12O12 978.5863 NA PeJP NA NA +PJ112552 VLLHRRW C46H74N16O8 978.5876 NA PeJP NA NA +PJ112553 PPLLLLQW C50H78N10O10 978.5903 NA PeJP NA NA +PJ112554 ALLLKKMY C47H82N10O10S 978.5937 NA PeJP NA NA +PJ112555 AAPPRRRR C40H74N20O9 978.5948 NA PeJP NA NA +PJ112556 KKKKERY C44H78N14O11 978.5975 NA PeJP NA NA +MJ099065 Apramide A; 7',8'-Dihydro C52H82N8O8S 978.597632 NA MeJP NA NA +PJ112557 VKKKKYW C49H78N12O9 978.6015 NA PeJP NA NA +PJ112558 GLKKKKMF C46H82N12O9S 978.6049 NA PeJP NA NA +PJ112559 AKHRRRR C39H74N22O8 978.6061 NA PeJP NA NA +PJ112560 TKKKRRY C43H78N16O10 978.6087 NA PeJP NA NA +PJ112561 TTLLLKKY C47H82N10O12 978.6114 NA PeJP NA NA +PJ112562 LLKFFRR C48H78N14O8 978.6128 NA PeJP NA NA +PJ112563 VVLLLLFY C52H82N8O10 978.6154 NA PeJP NA NA +PJ112564 GPPLKRRR C42H78N18O9 978.62 NA PeJP NA NA +PJ112565 ATLKKKKY C46H82N12O11 978.6226 NA PeJP NA NA +PJ112566 GPPTLLLLR C46H82N12O11 978.6227 NA PeJP NA NA +PJ112567 PPLLLLKW C51H82N10O9 978.6267 NA PeJP NA NA +PJ112568 VKKHRRR C41H78N20O8 978.6312 NA PeJP NA NA +PJ112569 SLLLLKHR C45H82N14O10 978.6339 NA PeJP NA NA +PJ112570 PPVVKKRR C44H82N16O9 978.6451 NA PeJP NA NA +PJ112571 SPPVLLLLK C48H86N10O11 978.6478 NA PeJP NA NA +PJ112572 AAPLLLLLR C47H86N12O10 978.659 NA PeJP NA NA +PJ112573 PVLLLLRR C46H86N14O9 978.6703 NA PeJP NA NA +PJ112574 GPLLLLLLK C49H90N10O10 978.6842 NA PeJP NA NA +HMDB10545 TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C65H102O6 978.767639 NA HMDB2010 NA NA +HMDB10546 TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] C65H102O6 978.767639 NA HMDB2010 NA NA +HMDB10556 TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] C65H102O6 978.767639 NA HMDB2010 NA NA +PJ112575 CCCCCCCCH C30H49N11O10S8 979.143 NA PeJP NA NA +PJ112576 CCCCCCNND C30H49N11O14S6 979.1785 NA PeJP NA NA +PJ112577 SCCCCCDDE C31H49N9O17S5 979.185 NA PeJP NA NA +PJ112578 PCCCCCCDM C32H53N9O12S7 979.1859 NA PeJP NA NA +PJ112579 GCCCCDDMM C32H53N9O14S6 979.2037 NA PeJP NA NA +PJ112580 SCCCCCNNM C31H53N11O13S6 979.2149 NA PeJP NA NA +PJ112581 GCCCCDDDF C35H49N9O16S4 979.2181 NA PeJP NA NA +PJ112582 CCCCCEMW C36H53N9O11S6 979.2189 NA PeJP NA NA +C04675 3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA C32H52N7O20P3S 979.2201 NA KEGG NA NA +PJ112583 SSCCCCDEM C32H53N9O16S5 979.2214 NA PeJP NA NA +PJ112584 SPCCCCCMM C33H57N9O11S7 979.2223 NA PeJP NA NA +PJ112585 GCCCCCDHH C33H49N13O12S5 979.2228 NA PeJP NA NA +PJ112586 GSSSCCCCCQ C31H53N11O15S5 979.2327 NA PeJP NA NA +PJ112587 GSCCCDDDY C35H49N9O18S3 979.2358 NA PeJP NA NA +PJ112588 GPCCCCCEY C36H53N9O13S5 979.2367 NA PeJP NA NA +PJ112589 ASCCCCEMM C33H57N9O13S6 979.24 NA PeJP NA NA +PJ112590 GSCCCDMMM C33H57N9O13S6 979.2401 NA PeJP NA NA +PJ112591 GCCCCCNQF C35H53N11O12S5 979.2479 NA PeJP NA NA +PJ112592 SSSSSCCCCN C31H53N11O17S4 979.2504 NA PeJP NA NA +PJ112593 SCCCCCCQK C32H57N11O12S6 979.2513 NA PeJP NA NA +PJ112594 PCCCCCYW C40H53N9O10S5 979.2519 NA PeJP NA NA +PJ112595 CCCNDEMY C36H53N9O15S4 979.2544 NA PeJP NA NA +PJ112596 TCCCCMMW C37H57N9O10S6 979.2553 NA PeJP NA NA +PJ112597 SSSCCCEMM C33H57N9O15S5 979.2578 NA PeJP NA NA +PJ112598 GCCCNNDDH C33H49N13O16S3 979.2583 NA PeJP NA NA +PJ112599 CCCQMMMM C34H61N9O10S7 979.2587 NA PeJP NA NA +PJ112600 ATCCCCCHH C34H53N13O11S5 979.2591 NA PeJP NA NA +PJ112601 GSCCCCMHH C34H53N13O11S5 979.2592 NA PeJP NA NA +PJ112602 GSCCDDDEH C34H49N11O19S2 979.2648 NA PeJP NA NA +PJ112603 CCCCDDRY C35H53N11O14S4 979.2657 NA PeJP NA NA +PJ112604 GSSSCCCCCK C32H57N11O14S5 979.269 NA PeJP NA NA +PJ112605 GCCCDMYW C40H53N9O12S4 979.2697 NA PeJP NA NA +PJ112606 CCCCMMMR C33H61N11O9S7 979.2699 NA PeJP NA NA +PJ112607 GPCDDDDDE C35H49N9O22S 979.2713 NA PeJP NA NA +FL7AACGL0069 Cyanidin 3-(6''-sinapylsophoroside)-5-glucoside C44H51O25 979.27194 119818-02-9<BR>107480-91-1<BR>63003-10-1 knapsack NA NA +PJ112608 GSSCCDDMY C36H53N9O17S3 979.2722 NA PeJP NA NA +PJ112609 GPTCCCCMY C37H57N9O12S5 979.2731 NA PeJP NA NA +PJ112610 GSSCCMMMM C34H61N9O12S6 979.2764 NA PeJP NA NA +PJ112611 SSTCCCCHH C34H53N13O13S4 979.2769 NA PeJP NA NA +PJ112612 SCCDDDHW C38H49N11O16S2 979.2801 NA PeJP NA NA +PJ112613 PCCCCEHW C39H53N11O11S4 979.2809 NA PeJP NA NA +PJ112614 SSSCDDDDH C34H49N11O21S 979.2826 NA PeJP NA NA +PJ112615 SSSCCCNNY C35H53N11O16S3 979.2834 NA PeJP NA NA +PJ112616 CCCCDMFR C36H57N11O11S5 979.2843 NA PeJP NA NA +PJ112617 PCDDDDDW C39H49N9O19S 979.2866 NA PeJP NA NA +PJ112618 SSCCCEYW C40H53N9O14S3 979.2874 NA PeJP NA NA +PJ112619 GGPCCCDYY C40H53N9O14S3 979.2875 NA PeJP NA NA +PJ112620 SCCCCCCKK C33H61N11O11S6 979.2877 NA PeJP NA NA +PJ112621 GCCCMMFW C41H57N9O9S5 979.2883 NA PeJP NA NA +PJ112622 NDDDDEEE C35H49N9O24 979.2891 NA PeJP NA NA +PJ112623 SSSSCCDEY C36H53N9O19S2 979.2899 NA PeJP NA NA +PJ112624 SPPCCDDDE C36H53N9O19S2 979.29 NA PeJP NA NA +PJ112625 SCCNEMMY C37H57N9O14S4 979.2908 NA PeJP NA NA +PJ112626 CCCYYYY C45H53N7O12S3 979.2915 NA PeJP NA NA +PJ112627 CCCCQHHF C38H53N13O10S4 979.2922 NA PeJP NA NA +PJ112628 GCNNNNDDD C33H49N13O20S 979.2938 NA PeJP NA NA +PJ112629 SSSTCCMMM C34H61N9O14S5 979.2942 NA PeJP NA NA +PJ112630 CCCDDEHR C34H53N13O15S3 979.2947 NA PeJP NA NA +PJ112631 CCCKMMMM C35H65N9O9S7 979.2951 NA PeJP NA NA +PJ112632 CNDDDDHF C38H49N11O18S 979.2978 NA PeJP NA NA +PJ112633 GCCDEMHW C39H53N11O13S3 979.2987 NA PeJP NA NA +PJ112634 DDDDDDDR C34H49N11O23 979.3003 NA PeJP NA NA +PJ112635 GSSCDDEMH C35H53N11O18S2 979.3012 NA PeJP NA NA +PJ112636 GSCCCCNKY C36H57N11O13S4 979.302 NA PeJP NA NA +PJ112637 SCCCDMRY C36H57N11O13S4 979.3021 NA PeJP NA NA +PJ112638 CCNDDHHH C36H49N15O14S2 979.3025 NA PeJP NA NA +PJ112639 GCCCDFFW C44H53N9O11S3 979.3027 NA PeJP NA NA +PJ112640 GDDDDEEW C39H49N9O21 979.3043 NA PeJP NA NA +PJ112641 ADDDDDEW C39H49N9O21 979.3044 NA PeJP NA NA +PJ112642 GCNDDMYY C40H53N9O16S2 979.3052 NA PeJP NA NA +PJ112643 GSCCMMYW C41H57N9O11S4 979.3061 NA PeJP NA NA +PJ112644 GSPDDDDEM C36H53N9O21S 979.3077 NA PeJP NA NA +PJ112645 GSSSCDMMY C37H57N9O16S3 979.3086 NA PeJP NA NA +PJ112646 GCNMMMMY C38H61N9O11S5 979.3094 NA PeJP NA NA +PJ112647 AACCCCLMY C38H61N9O11S5 979.3095 NA PeJP NA NA +PJ112648 SCCCNQHW C38H53N13O12S3 979.3099 NA PeJP NA NA +PJ112649 SSSCCNNEH C34H53N13O17S2 979.3124 NA PeJP NA NA +PJ112650 GGGGGGGGSPCCD C34H53N13O17S2 979.3125 NA PeJP NA NA +PJ112651 CCNNQMMH C35H57N13O12S4 979.3133 NA PeJP NA NA +PJ112652 CCDMHWW C43H53N11O10S3 979.3139 NA PeJP NA NA +PJ112653 SNNDDDDW C38H49N11O20 979.3156 NA PeJP NA NA +PJ112654 SSCDDMHW C39H53N11O15S2 979.3164 NA PeJP NA NA +PJ112655 GGPCCNDEW C39H53N11O15S2 979.3165 NA PeJP NA NA +PJ112656 PTCCCMHW C40H57N11O10S4 979.3173 NA PeJP NA NA +PJ112657 SSSSDDDMH C35H53N11O20S 979.3189 NA PeJP NA NA +PJ112658 GGNNDDEEM C35H53N11O20S 979.319 NA PeJP NA NA +PJ112659 DDDDEWW C43H49N9O18 979.3196 NA PeJP NA NA +PJ112660 SNDDMMMH C36H57N11O15S3 979.3198 NA PeJP NA NA +PJ112661 CCNEYYW C44H53N9O13S2 979.3205 NA PeJP NA NA +PJ112662 ACCCMMRY C37H61N11O10S5 979.3207 NA PeJP NA NA +PJ112663 GSPCCCHHH C37H53N15O11S3 979.3212 NA PeJP NA NA +PJ112664 SPDDDDMW C40H53N9O18S 979.323 NA PeJP NA NA +PJ112665 GCCNNNNNQ C33H53N15O16S2 979.3236 NA PeJP NA NA +PJ112666 GGGCCNNNNQ C33H53N15O16S2 979.3237 NA PeJP NA NA +PJ112667 SSTCCMYW C41H57N9O13S3 979.3238 NA PeJP NA NA +PJ112668 CCCNNMHR C34H57N15O11S4 979.3245 NA PeJP NA NA +PJ112669 SNDEEEEE C36H53N9O23 979.3255 NA PeJP NA NA +PJ112670 SSSSSCEMY C37H57N9O18S2 979.3263 NA PeJP NA NA +PJ112671 GGPDDEEMM C37H57N9O18S2 979.3264 NA PeJP NA NA +PJ112672 SSCQMMMY C38H61N9O13S4 979.3272 NA PeJP NA NA +PJ112673 GSSSCCNHW C38H53N13O14S2 979.3277 NA PeJP NA NA +PJ112674 CCCCKHHF C39H57N13O9S4 979.3286 NA PeJP NA NA +PJ112675 CNNDDDER C34H53N13O19S 979.3302 NA PeJP NA NA +PJ112676 DEEMMYY C42H57N7O16S2 979.3304 NA PeJP NA NA +PJ112677 SCCDEMHR C35H57N13O14S3 979.331 NA PeJP NA NA +PJ112678 TCCDDMHR C35H57N13O14S3 979.3311 NA PeJP NA NA +PJ112679 GPCCNDWW C43H53N11O12S2 979.3317 NA PeJP NA NA +PJ112680 PCCCMMHR C36H61N13O9S5 979.3319 NA PeJP NA NA +MJ099066 Gadolinium hexaphyrin C42H58GdN6O11(+) 979.332632 NA MeJP NA NA +PJ112681 GNNDDEMW C39H53N11O17S 979.3342 NA PeJP NA NA +PJ112682 GSCEMMHW C40H57N11O12S3 979.3351 NA PeJP NA NA +PJ112683 GCCYYWW C48H53N9O10S2 979.3357 NA PeJP NA NA +PJ112684 SDDDDEER C35H53N11O22 979.3367 NA PeJP NA NA +PJ112685 PCDDDEMR C36H57N11O17S2 979.3376 NA PeJP NA NA +PJ112686 NNNDDDHH C36H49N15O18 979.338 NA PeJP NA NA +PJ112687 GGNNDDDHH C36H49N15O18 979.3381 NA PeJP NA NA +PJ112688 GSSCDYYW C44H53N9O15S 979.3382 NA PeJP NA NA +PJ112689 SSCCMMRY C37H61N11O12S4 979.3384 NA PeJP NA NA +PJ112690 AAACDMMMH C37H61N11O12S4 979.3385 NA PeJP NA NA +PJ112691 SCNDMHHH C37H53N15O13S2 979.3389 NA PeJP NA NA +PJ112692 CCQMFYW C45H57N9O10S3 979.3391 NA PeJP NA NA +PJ112693 GSDEEEEW C40H53N9O20 979.3407 NA PeJP NA NA +PJ112694 SSCNNNNNN C33H53N15O18S 979.3414 NA PeJP NA NA +PJ112695 GPDDEMMW C41H57N9O15S2 979.3416 NA PeJP NA NA +PJ112696 GSSCCCQHR C34H57N15O13S3 979.3423 NA PeJP NA NA +PJ112697 GCNMMMFF C42H61N9O10S4 979.3425 NA PeJP NA NA +PJ112698 GCCNNHFW C42H53N13O11S2 979.3429 NA PeJP NA NA +PJ112699 GGGGGCCHFW C42H53N13O11S2 979.343 NA PeJP NA NA +PJ112700 GQEEEEEM C37H57N9O20S 979.3441 NA PeJP NA NA +PJ112701 DDEEFYY C45H53N7O18 979.3447 NA PeJP NA NA +PJ112702 GSSSSMMMY C38H61N9O15S3 979.3449 NA PeJP NA NA +PJ112703 ASSSTCMMY C38H61N9O15S3 979.345 NA PeJP NA NA +PJ112704 GCNDDDRW C38H53N13O16S 979.3454 NA PeJP NA NA +PJ112705 GGGCDDDRW C38H53N13O16S 979.3455 NA PeJP NA NA +PJ112706 ACCKMMMY C39H65N9O10S5 979.3458 NA PeJP NA NA +PJ112707 SCCCNKHW C39H57N13O11S3 979.3463 NA PeJP NA NA +PJ112708 GSSNDDDDR C34H53N13O21 979.3479 NA PeJP NA NA +PJ112709 GGGSSDDDDR C34H53N13O21 979.348 NA PeJP NA NA +PJ112710 GSPCCNDER C35H57N13O16S2 979.3488 NA PeJP NA NA +PJ112711 EEMMMFY C43H61N7O13S3 979.349 NA PeJP NA NA +PJ112712 NNDDMWW C43H53N11O14S 979.3495 NA PeJP NA NA +PJ112713 GCDMMMHR C36H61N13O11S4 979.3497 NA PeJP NA NA +PJ112714 SCMMHWW C44H57N11O9S3 979.3503 NA PeJP NA NA +PJ112715 SSNNDEEW C39H53N11O19 979.352 NA PeJP NA NA +PJ112716 SSSDMMHW C40H57N11O14S2 979.3528 NA PeJP NA NA +PJ112717 GGGGGPPCCEF C40H57N11O14S2 979.3529 NA PeJP NA NA +PJ112718 NMMMMHW C41H61N11O9S4 979.3537 NA PeJP NA NA +PJ112719 GTCCHHHW C41H53N15O10S2 979.3542 NA PeJP NA NA +PJ112720 GDDEEEMR C36H57N11O19S 979.3553 NA PeJP NA NA +PJ112721 GGGGGGTEEEM C36H57N11O19S 979.3554 NA PeJP NA NA +PJ112722 SDEEEWW C44H53N9O17 979.356 NA PeJP NA NA +PJ112723 SSQEMMMH C37H61N11O14S3 979.3562 NA PeJP NA NA +PJ112724 GSSSCEHHH C37H53N15O15S 979.3567 NA PeJP NA NA +PJ112725 PCEEMWW C45H57N9O12S2 979.3568 NA PeJP NA NA +PJ112726 PDDMMWW C45H57N9O12S2 979.3569 NA PeJP NA NA +PJ112727 PCCKMMMH C38H65N11O9S5 979.3571 NA PeJP NA NA +PJ112728 GCQMMHHH C38H57N15O10S3 979.3575 NA PeJP NA NA +PJ112729 GGVCCMHHH C38H57N15O10S3 979.3576 NA PeJP NA NA +PJ112730 SSSNEMYY C41H57N9O17S 979.3593 NA PeJP NA NA +PJ112731 QEEEEMW C41H57N9O17S 979.3594 NA PeJP NA NA +PJ112732 SSSSCCNHR C34H57N15O15S2 979.36 NA PeJP NA NA +PJ112733 GGGGCNNDMR C34H57N15O15S2 979.3601 NA PeJP NA NA +PJ112734 SPPCEMMW C42H61N9O12S3 979.3602 NA PeJP NA NA +PJ112735 GSCNNNWW C42H53N13O13S 979.3607 NA PeJP NA NA +PJ112736 CCCCQKHR C35H61N15O10S4 979.3609 NA PeJP NA NA +PJ112737 STQEEEEE C37H57N9O22 979.3618 NA PeJP NA NA +PJ112738 TTNEEEEE C37H57N9O22 979.3619 NA PeJP NA NA +PJ112739 SSSSSTMMY C38H61N9O17S2 979.3627 NA PeJP NA NA +PJ112740 GSSSNNNDW C38H53N13O18 979.3632 NA PeJP NA NA +PJ112741 PDEMYYY C46H57N7O15S 979.3634 NA PeJP NA NA +PJ112742 SSCKMMMY C39H65N9O12S4 979.3636 NA PeJP NA NA +PJ112743 VCCNNNQW C39H57N13O13S2 979.364 NA PeJP NA NA +PJ112744 SPCCNDRW C39H57N13O13S2 979.3641 NA PeJP NA NA +PJ112745 GCNEWWW C47H53N11O11S 979.3647 NA PeJP NA NA +PJ112746 SSVCNNNNE C35H57N13O18S 979.3665 NA PeJP NA NA +PJ112747 SNNDDEMR C35H57N13O18S 979.3666 NA PeJP NA NA +PJ112748 GSSNDEWW C43H53N11O16 979.3672 NA PeJP NA NA +PJ112749 SSCEMMHR C36H61N13O13S3 979.3674 NA PeJP NA NA +PJ112750 GGGGPCDMMR C36H61N13O13S3 979.3675 NA PeJP NA NA +PJ112751 CNNNNQHH C36H53N17O14S 979.3679 NA PeJP NA NA +PJ112752 GSPCNMWW C44H57N11O11S2 979.3681 NA PeJP NA NA +PJ112753 GCCMHHHR C37H57N17O9S3 979.3688 NA PeJP NA NA +PJ112754 DDEEMRW C40H57N11O16S 979.3706 NA PeJP NA NA +PJ112755 PDDDFWW C48H53N9O14 979.3712 NA PeJP NA NA +PJ112756 CNMMRYY C41H61N11O11S3 979.3714 NA PeJP NA NA +PJ112757 GSTMMMHW C41H61N11O11S3 979.3715 NA PeJP NA NA +PJ112758 SSSCHHHW C41H53N15O12S 979.3719 NA PeJP NA NA +PJ112759 CCQFFFW C49H57N9O9S2 979.3721 NA PeJP NA NA +PJ112760 SSDEEEER C36H57N11O21 979.3731 NA PeJP NA NA +PJ112761 GSSTTEMMH C37H61N11O16S2 979.3739 NA PeJP NA NA +PJ112762 SPDDEMMR C37H61N11O16S2 979.374 NA PeJP NA NA +PJ112763 NNNNNNNY C37H53N15O17 979.3744 NA PeJP NA NA +PJ112764 GGGGGGGGGGNNY C37H53N15O17 979.3745 NA PeJP NA NA +PJ112765 AEEEMWW C45H57N9O14S 979.3746 NA PeJP NA NA +PJ112766 PPCDMMMR C38H65N11O11S4 979.3748 NA PeJP NA NA +PJ112767 GCCNNQRW C38H57N15O12S2 979.3753 NA PeJP NA NA +PJ112768 CCKMFYW C46H61N9O9S3 979.3755 NA PeJP NA NA +PJ112769 PCDHHWW C46H53N13O10S 979.376 NA PeJP NA NA +PJ112770 GTTEEEEW C41H57N9O19 979.3771 NA PeJP NA NA +PJ112771 SCNDDDRR C34H57N15O17S 979.3778 NA PeJP NA NA +PJ112772 GPTEEMMW C42H61N9O14S2 979.378 NA PeJP NA NA +PJ112773 GNNNNDFW C42H53N13O15 979.3784 NA PeJP NA NA +PJ112774 GGGNNNDFW C42H53N13O15 979.3785 NA PeJP NA NA +PJ112775 PCCCNERR C35H61N15O12S3 979.3787 NA PeJP NA NA +PJ112776 GPPMMMMW C43H65N9O9S4 979.3789 NA PeJP NA NA +PJ112777 CCEHFRW C43H57N13O10S2 979.3793 NA PeJP NA NA +PJ112778 CNWWWW C51H53N11O8S 979.38 NA PeJP NA NA +MJ099067 Orbiculamide A C46H62BrN9O10 979.380301 NA MeJP NA NA +PJ112779 GKEEEEEM C38H61N9O19S 979.3805 NA PeJP NA NA +PJ112780 VDEEYYY C46H57N7O17 979.3811 NA PeJP NA NA +PJ112781 GSPPTEMMM C39H65N9O14S3 979.3813 NA PeJP NA NA +PJ112782 PVNEEMMM C39H65N9O14S3 979.3814 NA PeJP NA NA +PJ112783 GSNDDMRW C39H57N13O15S 979.3818 NA PeJP NA NA +PJ112784 GGGGGGGGGGPMY C39H57N13O15S 979.3819 NA PeJP NA NA +PJ112785 PEMMFYY C47H61N7O12S2 979.382 NA PeJP NA NA +PJ112786 SSNDWWW C47H53N11O13 979.3825 NA PeJP NA NA +PJ112787 GPCCQMRW C40H61N13O10S3 979.3827 NA PeJP NA NA +PJ112788 ACMHFWW C48H57N11O8S2 979.3833 NA PeJP NA NA +PJ112789 GSSSNDEER C35H57N13O20 979.3843 NA PeJP NA NA +PJ112790 GNNEEMMR C36H61N13O15S2 979.3852 NA PeJP NA NA +PJ112791 LEMMMYY C44H65N7O12S3 979.3854 NA PeJP NA NA +PJ112792 GSSNNNNHH C36H53N17O16 979.3857 NA PeJP NA NA +PJ112793 SNQEMWW C44H57N11O13S 979.3858 NA PeJP NA NA +PJ112794 GGGGTEMWW C44H57N11O13S 979.3859 NA PeJP NA NA +PJ112795 GSMMMMHR C37H65N13O10S4 979.3861 NA PeJP NA NA +PJ112796 STCCHHHR C37H57N17O11S2 979.3865 NA PeJP NA NA +PJ112797 GGGGPCCHHR C37H57N17O11S2 979.3866 NA PeJP NA NA +PJ112798 MMMHHFF C45H61N11O8S3 979.3867 NA PeJP NA NA +PJ112799 CNHHHFW C45H53N15O9S 979.3872 NA PeJP NA NA +PJ112800 SSSQQEEW C40H57N11O18 979.3883 NA PeJP NA NA +PJ112801 GGGGSTTEEW C40H57N11O18 979.3884 NA PeJP NA NA +PJ112802 SSTTMMHW C41H61N11O13S2 979.3892 NA PeJP NA NA +PJ112803 DDDHHRW C41H53N15O14 979.3897 NA PeJP NA NA +PJ112804 PPCEYWW C49H57N9O11S 979.3899 NA PeJP NA NA +PJ112805 GTEEEEMR C37H61N11O18S 979.3917 NA PeJP NA NA +PJ112806 SSSSTYYW C45H57N9O16 979.3923 NA PeJP NA NA +PJ112807 TTEEEWW C45H57N9O16 979.3924 NA PeJP NA NA +PJ112808 GPEEMMMR C38H65N11O13S3 979.3926 NA PeJP NA NA +PJ112809 SSCNNNRW C38H57N15O14S 979.393 NA PeJP NA NA +PJ112810 GGSSCNNRW C38H57N15O14S 979.3931 NA PeJP NA NA +PJ112811 PTEMMWW C46H61N9O11S2 979.3932 NA PeJP NA NA +PJ112812 GEEHHWW C46H53N13O12 979.3937 NA PeJP NA NA +PJ112813 GPCCCRRW C39H61N15O9S3 979.3939 NA PeJP NA NA +PJ112814 SSSSNNNDR C34H57N15O19 979.3955 NA PeJP NA NA +PJ112815 GGSSSSNNDR C34H57N15O19 979.3956 NA PeJP NA NA +PJ112816 KEEEEMW C42H61N9O16S 979.3957 NA PeJP NA NA +PJ112817 GAAPEEEMF C42H61N9O16S 979.3958 NA PeJP NA NA +PJ112818 PPDYYYY C50H57N7O14 979.3964 NA PeJP NA NA +PJ112819 GGGGGGGGSMMR C35H61N15O14S2 979.3965 NA PeJP NA NA +PJ112820 GPVEMMMW C43H65N9O11S3 979.3966 NA PeJP NA NA +PJ112821 SCNERWW C43H57N13O12S 979.3971 NA PeJP NA NA +PJ112822 CCCCKKHR C36H65N15O9S4 979.3973 NA PeJP NA NA +PJ112823 STKEEEEE C38H61N9O21 979.3982 NA PeJP NA NA +PJ112824 SPKEEEMM C39H65N9O16S2 979.3991 NA PeJP NA NA +PJ112825 SSSNDERW C39H57N13O17 979.3996 NA PeJP NA NA +PJ112826 VEEMFYY C47H61N7O14S 979.3998 NA PeJP NA NA +PJ112827 PPDKMMMM C40H69N9O11S4 979.4 NA PeJP NA NA +PJ112828 NNEMMRW C40H61N13O12S2 979.4004 NA PeJP NA NA +PJ112829 GGNEMMRW C40H61N13O12S2 979.4005 NA PeJP NA NA +PJ112830 SPNDHHHH C40H53N17O13 979.4009 NA PeJP NA NA +PJ112831 GSQMWWW C48H57N11O10S 979.4011 NA PeJP NA NA +PJ112832 SSNQEEMR C36H61N13O17S 979.4029 NA PeJP NA NA +PJ112833 GGSSQEEMR C36H61N13O17S 979.403 NA PeJP NA NA +PJ112834 GSSTQEWW C44H57N11O15 979.4036 NA PeJP NA NA +PJ112835 SSTMMMHR C37H65N13O12S3 979.4038 NA PeJP NA NA +PJ112836 GNNDMHHR C37H57N17O13S 979.4043 NA PeJP NA NA +PJ112837 AQQMMWW C45H61N11O10S2 979.4045 NA PeJP NA NA +PJ112838 SNNHHWW C45H53N15O11 979.4049 NA PeJP NA NA +PJ112839 GGGGSHHWW C45H53N15O11 979.405 NA PeJP NA NA +PJ112840 TEEEMRW C41H61N11O15S 979.407 NA PeJP NA NA +PJ112841 APEEYWW C49H57N9O13 979.4076 NA PeJP NA NA +PJ112842 GCCDDRRR C34H61N17O13S2 979.4077 NA PeJP NA NA +PJ112843 PEMMMRW C42H65N11O10S3 979.4078 NA PeJP NA NA +PJ112844 GGAPCKMMW C42H65N11O10S3 979.4079 NA PeJP NA NA +PJ112845 NQQMHHW C42H57N15O11S 979.4083 NA PeJP NA NA +PJ112846 CCKFFFW C50H61N9O8S2 979.4085 NA PeJP NA NA +PJ112847 EHHWWW C50H53N13O9 979.409 NA PeJP NA NA +PJ112848 STTEEEER C37H61N11O20 979.4095 NA PeJP NA NA +PJ112849 SPTEEMMR C38H65N11O15S2 979.4103 NA PeJP NA NA +PJ112850 GVEEEMMR C38H65N11O15S2 979.4104 NA PeJP NA NA +PJ112851 GNNNNERY C38H57N15O16 979.4108 NA PeJP NA NA +PJ112852 GGGGGGGGAAPEH C38H57N15O16 979.4109 NA PeJP NA NA +PJ112853 SLEEMWW C46H61N9O13S 979.411 NA PeJP NA NA +PJ112854 SPPMMMMR C39H69N11O10S4 979.4112 NA PeJP NA NA +PJ112855 CNDMRRW C39H61N15O11S2 979.4117 NA PeJP NA NA +PJ112856 PVMMMWW C47H65N9O8S3 979.4119 NA PeJP NA NA +PJ112857 GNNQHHHH C39H53N19O12 979.4122 NA PeJP NA NA +PJ112858 GSCRWWW C47H57N13O9S 979.4123 NA PeJP NA NA +PJ112859 SSTLEEEW C42H61N9O18 979.4135 NA PeJP NA NA +PJ112860 SSNDDMRR C35H61N15O16S 979.4142 NA PeJP NA NA +PJ112861 ASSKMMYY C43H65N9O13S2 979.4143 NA PeJP NA NA +PJ112862 AALEEMMW C43H65N9O13S2 979.4144 NA PeJP NA NA +PJ112863 GSSSDRWW C43H57N13O14 979.4148 NA PeJP NA NA +PJ112864 GGGGGGAAQYW C43H57N13O14 979.4149 NA PeJP NA NA +PJ112865 PPMFYYY C51H61N7O11S 979.415 NA PeJP NA NA +PJ112866 SPCCQMRR C36H65N15O11S3 979.4151 NA PeJP NA NA +PJ112867 GNMMRWW C44H61N13O9S2 979.4157 NA PeJP NA NA +PJ112868 EHHHHHF C44H53N17O10 979.4162 NA PeJP NA NA +PJ112869 SVKEEEEM C39H65N9O18S 979.4169 NA PeJP NA NA +PJ112870 TLEEYYY C47H61N7O16 979.4175 NA PeJP NA NA +PJ112871 PVDKEMMM C40H69N9O13S3 979.4177 NA PeJP NA NA +PJ112872 GSSQEMRW C40H61N13O14S 979.4182 NA PeJP NA NA +PJ112873 PLMMYYY C48H65N7O11S2 979.4184 NA PeJP NA NA +PJ112874 SSTQWWW C48H57N11O12 979.4188 NA PeJP NA NA +PJ112875 GGSTTWWW C48H57N11O12 979.4189 NA PeJP NA NA +PJ112876 GPCCKMRW C41H65N13O9S3 979.4191 NA PeJP NA NA +PJ112877 CNQHHRW C41H57N17O10S 979.4195 NA PeJP NA NA +PJ112878 GGCQHHRW C41H57N17O10S 979.4196 NA PeJP NA NA +MJ099068 Taxol?; N-Debenzoyl, N-hexanoyl, 7-O-?-D-xylopyranoside C51H65NO18 979.420164 NA MeJP NA NA +PJ112879 GSSSTQEER C36H61N13O19 979.4207 NA PeJP NA NA +PJ112880 EEEMMRR C37H65N13O14S2 979.4216 NA PeJP NA NA +PJ112881 SSNNEHHR C37H57N17O15 979.422 NA PeJP NA NA +PJ112882 GGSSNEHHR C37H57N17O15 979.4221 NA PeJP NA NA +PJ112883 SNKEMWW C45H61N11O12S 979.4222 NA PeJP NA NA +PJ112884 GGGGGGPPMFF C45H61N11O12S 979.4223 NA PeJP NA NA +PJ112885 CCCKKKMH C38H69N13O9S4 979.4225 NA PeJP NA NA +PJ112886 GNFFFYW C53H57N9O10 979.4229 NA PeJP NA NA +PJ112887 SSSQKEEW C41H61N11O17 979.4247 NA PeJP NA NA +PJ112888 GGGGGGVVEEY C41H61N11O17 979.4248 NA PeJP NA NA +PJ112889 GSSSCNNRR C34H61N17O15S 979.4254 NA PeJP NA NA +MJ099069 4-L-Threonineoxytocin C42H65N11O12S2 979.425557 NA MeJP NA NA +MJ099070 Seritocin C42H65N11O12S2 979.425557 NA MeJP NA NA +PJ112890 VEEMMRW C42H65N11O12S2 979.4256 NA PeJP NA NA +PJ112891 NNNNRYW C42H57N15O13 979.4261 NA PeJP NA NA +PJ112892 PPTMYWW C50H61N9O10S 979.4262 NA PeJP NA NA +PJ112893 PVDMFWW C50H61N9O10S 979.4263 NA PeJP NA NA +PJ112894 ACCRRWW C43H61N15O8S2 979.4269 NA PeJP NA NA +PJ112895 SSLEEEMR C38H65N11O17S 979.4281 NA PeJP NA NA +PJ112896 SPPTTEYW C46H61N9O15 979.4287 NA PeJP NA NA +PJ112897 PKEEEYW C46H61N9O15 979.4288 NA PeJP NA NA +PJ112898 SPVEMMMR C39H69N11O12S3 979.429 NA PeJP NA NA +PJ112899 GSSCERRW C39H61N15O13S 979.4294 NA PeJP NA NA +PJ112900 GGGGGNQMFR C39H61N15O13S 979.4295 NA PeJP NA NA +PJ112901 VVEMMWW C47H65N9O10S2 979.4296 NA PeJP NA NA +PJ112902 GNDFRWW C47H57N13O11 979.4301 NA PeJP NA NA +PJ112903 CMMHFRR C40H65N15O8S3 979.4303 NA PeJP NA NA +PJ112904 GPCHHHHR C40H57N19O9S 979.4308 NA PeJP NA NA +PJ112905 GSSSSDERR C35H61N15O18 979.4319 NA PeJP NA NA +PJ112906 GGGGGGSSSTTR C35H61N15O18 979.432 NA PeJP NA NA +PJ112907 ATTLEEMW C43H65N9O15S 979.4321 NA PeJP NA NA +PJ112908 PVEFYYY C51H61N7O13 979.4328 NA PeJP NA NA +PJ112909 APTLMMMW C44H69N9O10S3 979.433 NA PeJP NA NA +PJ112910 SSQMRWW C44H61N13O11S 979.4334 NA PeJP NA NA +PJ112911 GGSTMRWW C44H61N13O11S 979.4335 NA PeJP NA NA +PJ112912 QQFWWW C52H57N11O9 979.4341 NA PeJP NA NA +PJ112913 SSSSLLEEE C39H65N9O20 979.4346 NA PeJP NA NA +PJ112914 ALKEEEMM C40H69N9O15S2 979.4355 NA PeJP NA NA +PJ112915 SSSSSSPRW C40H61N13O16 979.4359 NA PeJP NA NA +PJ112916 SSSTQERW C40H61N13O16 979.436 NA PeJP NA NA +PJ112917 VLEMYYY C48H65N7O13S 979.4361 NA PeJP NA NA +PJ112918 PVLQMMMM C41H73N9O10S4 979.4364 NA PeJP NA NA +PJ112919 NDKMMRW C41H65N13O11S2 979.4368 NA PeJP NA NA +PJ112920 GGGGGCKKMW C41H65N13O11S2 979.4369 NA PeJP NA NA +PJ112921 GSSNHHRW C41H57N17O12 979.4373 NA PeJP NA NA +PJ112922 GSKMWWW C49H61N11O9S 979.4375 NA PeJP NA NA +PJ112923 SSNKEEMR C37H65N13O16S 979.4393 NA PeJP NA NA +PJ112924 GGGGGGGTTTKM C37H65N13O16S 979.4394 NA PeJP NA NA +PJ112925 GSSTKEWW C45H61N11O14 979.44 NA PeJP NA NA +PJ112926 GVQQMMMR C38H69N13O11S3 979.4402 NA PeJP NA NA +PJ112927 GCNNNFRR C38H61N17O12S 979.4407 NA PeJP NA NA +PJ112928 AQKMMWW C46H65N11O9S2 979.4408 NA PeJP NA NA +PJ112929 GAAKMMWW C46H65N11O9S2 979.4409 NA PeJP NA NA +PJ112930 QQHHHFF C46H57N15O10 979.4413 NA PeJP NA NA +PJ112931 ASTQKEMW C42H65N11O14S 979.4433 NA PeJP NA NA +PJ112932 GSDKKEMW C42H65N11O14S 979.4434 NA PeJP NA NA +PJ112933 SPLEYWW C50H61N9O12 979.444 NA PeJP NA NA +PJ112934 GSCDMRRR C35H65N17O12S2 979.4441 NA PeJP NA NA +PJ112935 GPCKKMMW C43H69N11O9S3 979.4442 NA PeJP NA NA +PJ112936 SSCRRWW C43H61N15O10S 979.4447 NA PeJP NA NA +PJ112937 APHHFWW C51H57N13O8 979.4453 NA PeJP NA NA +PJ112938 ASSTTQKEE C38H65N11O19 979.4458 NA PeJP NA NA +PJ112939 GSSSKKEEE C38H65N11O19 979.4459 NA PeJP NA NA +PJ112940 ATLEEMMR C39H69N11O14S2 979.4467 NA PeJP NA NA +PJ112941 SSSSDRRW C39H61N15O15 979.4472 NA PeJP NA NA +PJ112942 AAPLEMYW C47H65N9O12S 979.4474 NA PeJP NA NA +PJ112943 APLMMMMR C40H73N11O9S4 979.4476 NA PeJP NA NA +PJ112944 PPFFFYY C55H61N7O10 979.448 NA PeJP NA NA +PJ112945 SNMMRRW C40H65N15O10S2 979.4481 NA PeJP NA NA +PJ112946 QEHHHHR C40H57N19O11 979.4485 NA PeJP NA NA +PJ112947 GAEHHHHR C40H57N19O11 979.4486 NA PeJP NA NA +PJ112948 ALMHHWW C48H61N13O8S 979.4487 NA PeJP NA NA +PJ112949 TTTTLEEW C43H65N9O17 979.4499 NA PeJP NA NA +3401 NA YPVQPFTE 979.45 ACE inhibitor Inhouse_peptide NA peptide +PJ112950 SSSQEMRR C36H65N15O15S 979.4506 NA PeJP NA NA +PJ112951 PTTTLMMW C44H69N9O12S2 979.4507 NA PeJP NA NA +PJ112952 GTLLEMMW C44H69N9O12S2 979.4508 NA PeJP NA NA +PJ112953 GSSTTRWW C44H61N13O13 979.4512 NA PeJP NA NA +PJ112954 GGGGGGAAPPPW C44H61N13O13 979.4513 NA PeJP NA NA +PJ112955 PLMFFYY C52H65N7O10S 979.4514 NA PeJP NA NA +PJ112956 GGAAMMMRR C37H69N15O10S3 979.4515 NA PeJP NA NA +PJ112957 GSCQHHRR C37H61N19O11S 979.4519 NA PeJP NA NA +PJ112958 ACKMRWW C45H65N13O8S2 979.4521 NA PeJP NA NA +PJ112959 VQHHHHW C45H57N17O9 979.4526 NA PeJP NA NA +PJ112960 ASSTLLEEM C40H69N9O17S 979.4532 NA PeJP NA NA +PJ112961 TTLKEEEM C40H69N9O17S 979.4533 NA PeJP NA NA +PJ112962 PTLKEMMM C41H73N9O12S3 979.4541 NA PeJP NA NA +PJ112963 GSSKEMRW C41H65N13O13S 979.4546 NA PeJP NA NA +PJ112964 LLMMFYY C49H69N7O10S2 979.4548 NA PeJP NA NA +PJ112965 SSTKWWW C49H61N11O11 979.4552 NA PeJP NA NA +PJ112966 GGGAALYWW C49H61N11O11 979.4553 NA PeJP NA NA +PJ112967 KMMMHFR C42H69N13O8S3 979.4555 NA PeJP NA NA +PJ112968 CNKHHRW C42H61N17O9S 979.4559 NA PeJP NA NA +PJ112969 GSSSTKEER C37H65N13O18 979.4571 NA PeJP NA NA +PJ112970 GTQKEMMR C38H69N13O13S2 979.458 NA PeJP NA NA +PJ112971 GSNNNRRY C38H61N17O14 979.4584 NA PeJP NA NA +PJ112972 GGGGGGGSRRY C38H61N17O14 979.4585 NA PeJP NA NA +PJ112973 SDKKMWW C46H65N11O11S 979.4586 NA PeJP NA NA +PJ112974 PPTFFWW C54H61N9O9 979.4593 NA PeJP NA NA +PJ112975 SSSKKEEW C42H65N11O16 979.4611 NA PeJP NA NA +PJ112976 SSSCERRR C35H65N17O14S 979.4618 NA PeJP NA NA +PJ112977 QKKEMMW C43H69N11O11S2 979.462 NA PeJP NA NA +PJ112978 PQQEHRW C43H61N15O12 979.4624 NA PeJP NA NA +PJ112979 GNERRYW C43H61N15O12 979.4625 NA PeJP NA NA +PJ112980 PVVMYWW C51H65N9O9S 979.4626 NA PeJP NA NA +PJ112981 CQMMRRR C36H69N17O9S3 979.4627 NA PeJP NA NA +PJ112982 AHHHHRW C44H57N19O8 979.4638 NA PeJP NA NA +PJ112983 TTTLEEMR C39H69N11O16S 979.4645 NA PeJP NA NA +PJ112984 LLQEEYW C47H65N9O14 979.4651 NA PeJP NA NA +PJ112985 GGPVVEEFF C47H65N9O14 979.4652 NA PeJP NA NA +PJ112986 GLLEMMMR C40H73N11O11S3 979.4654 NA PeJP NA NA +PJ112987 GSSTMRRW C40H65N15O12S 979.4658 NA PeJP NA NA +PJ112988 GGGGGGGKMFR C40H65N15O12S 979.4659 NA PeJP NA NA +PJ112989 TLLMMWW C48H69N9O9S2 979.466 NA PeJP NA NA +PJ112990 AAQRYWW C48H61N13O10 979.4665 NA PeJP NA NA +PJ112991 GSSSTTERR C36H65N15O17 979.4683 NA PeJP NA NA +PJ112992 STTLLEMW C44H69N9O14S 979.4685 NA PeJP NA NA +PJ112993 PVLYYYY C52H65N7O12 979.4691 NA PeJP NA NA +PJ112994 GSDKMMRR C37H69N15O12S2 979.4692 NA PeJP NA NA +PJ112995 GVLLMMMW C45H73N9O9S3 979.4694 NA PeJP NA NA +PJ112996 SSSNHHRR C37H61N19O13 979.4697 NA PeJP NA NA +PJ112997 SSKMRWW C45H65N13O10S 979.4698 NA PeJP NA NA +PJ112998 GAPCKRYW C45H65N13O10S 979.4699 NA PeJP NA NA +PJ112999 QKFWWW C53H61N11O8 979.4705 NA PeJP NA NA +PJ113000 SSTTTLLEE C40H69N9O19 979.471 NA PeJP NA NA +PJ113001 SLLKEEMM C41H73N9O14S2 979.4719 NA PeJP NA NA +PJ113002 SSSTKERW C41H65N13O15 979.4723 NA PeJP NA NA +PJ113003 VEEERRY C41H65N13O15 979.4724 NA PeJP NA NA +PJ113004 PVLKMMMM C42H77N9O9S4 979.4728 NA PeJP NA NA +PJ113005 TQKMMRW C42H69N13O10S2 979.4732 NA PeJP NA NA +PJ113006 PNDHRRW C42H61N17O11 979.4737 NA PeJP NA NA +PJ113007 PPMFFRW C50H65N11O8S 979.4739 NA PeJP NA NA +PJ113008 SSDKKEMR C38H69N13O15S 979.4757 NA PeJP NA NA +PJ113009 SSSSLKWW C46H65N11O13 979.4764 NA PeJP NA NA +PJ113010 GVQKMMMR C39H73N13O10S3 979.4766 NA PeJP NA NA +PJ113011 CNEFRRR C39H65N17O11S 979.4771 NA PeJP NA NA +PJ113012 AKKMMWW C47H69N11O8S2 979.4772 NA PeJP NA NA +PJ113013 NRRYWW C47H61N15O9 979.4777 NA PeJP NA NA +PJ113014 GTTKKEMW C43H69N11O13S 979.4797 NA PeJP NA NA +PJ113015 GGAPKKEMY C43H69N11O13S 979.4798 NA PeJP NA NA +PJ113016 ALLEYWW C51H65N9O11 979.4804 NA PeJP NA NA +PJ113017 LLMMMRW C44H73N11O8S3 979.4806 NA PeJP NA NA +PJ113018 GQMFRRW C44H65N15O9S 979.4811 NA PeJP NA NA +PJ113019 GSTTTKKEE C39H69N11O18 979.4822 NA PeJP NA NA +PJ113020 STLLEMMR C40H73N11O13S2 979.4831 NA PeJP NA NA +PJ113021 SSSTTRRW C40H65N15O14 979.4836 NA PeJP NA NA +PJ113022 GPTLLMYW C48H69N9O11S 979.4838 NA PeJP NA NA +PJ113023 PLFFFFY C56H65N7O9 979.4844 NA PeJP NA NA +PJ113024 TCKMRRW C41H69N15O9S2 979.4845 NA PeJP NA NA +PJ113025 NNHHFRR C41H61N19O10 979.4849 NA PeJP NA NA +PJ113026 GLLKEEEY C44H69N9O16 979.4863 NA PeJP NA NA +PJ113027 STTTQMRR C37H69N15O14S 979.4869 NA PeJP NA NA +PJ113028 SSSKEMRR C37H69N15O14S 979.487 NA PeJP NA NA +PJ113029 SSLLLMMW C45H73N9O11S2 979.4871 NA PeJP NA NA +PJ113030 AQKERYW C45H65N13O12 979.4876 NA PeJP NA NA +PJ113031 LLMFFFY C53H69N7O9S 979.4878 NA PeJP NA NA +PJ113032 GSCKHHRR C38H65N19O10S 979.4883 NA PeJP NA NA +PJ113033 VKHHHHW C46H61N17O8 979.489 NA PeJP NA NA +PJ113034 SSSTLLLEM C41H73N9O16S 979.4896 NA PeJP NA NA +PJ113035 VVLKEMMM C42H77N9O11S3 979.4905 NA PeJP NA NA +PJ113036 GTTTKMRW C42H69N13O12S 979.491 NA PeJP NA NA +PJ113037 GLQKYWW C50H65N11O10 979.4916 NA PeJP NA NA +PJ113038 GCFRRRW C43H65N17O8S 979.4923 NA PeJP NA NA +PJ113039 SSSSSLKER C38H69N13O17 979.4935 NA PeJP NA NA +PJ113040 SSLQKMMR C39H73N13O12S2 979.4943 NA PeJP NA NA +PJ113041 GTKKEMMR C39H73N13O12S2 979.4944 NA PeJP NA NA +PJ113042 SNERRRY C39H65N17O13 979.4948 NA PeJP NA NA +PJ113043 GGGGGGGGVLHR C39H65N17O13 979.4949 NA PeJP NA NA +PJ113044 TTKKMWW C47H69N11O10S 979.495 NA PeJP NA NA +PJ113045 PVVFFWW C55H65N9O8 979.4957 NA PeJP NA NA +PJ113046 THHHHRR C40H61N21O9 979.4962 NA PeJP NA NA +PJ113047 STTTKKEW C43H69N11O15 979.4975 NA PeJP NA NA +PJ113048 SSSTMRRR C36H69N17O13S 979.4982 NA PeJP NA NA +PJ113049 KKKEMMW C44H73N11O10S2 979.4984 NA PeJP NA NA +PJ113050 GDKRRYW C44H65N15O11 979.4988 NA PeJP NA NA +PJ113051 GPPPDRRW C44H65N15O11 979.4989 NA PeJP NA NA +PJ113052 VVLMFWW C52H69N9O8S 979.499 NA PeJP NA NA +PJ113053 CKMMRRR C37H73N17O8S3 979.4991 NA PeJP NA NA +PJ113054 STKKKEEM C40H73N11O15S 979.5009 NA PeJP NA NA +PJ113055 LLKEEYW C48H69N9O13 979.5015 NA PeJP NA NA +PJ113056 SVLLMMMR C41H77N11O10S3 979.5017 NA PeJP NA NA +PJ113057 GAALKKMMM C41H77N11O10S3 979.5018 NA PeJP NA NA +PJ113058 VQQMRRY C41H69N15O11S 979.5022 NA PeJP NA NA +PJ113059 AAKRYWW C49H65N13O9 979.5029 NA PeJP NA NA +PJ113060 SSSSSTLRR C37H69N15O16 979.5047 NA PeJP NA NA +PJ113061 SPLLKEMY C45H73N9O13S 979.5049 NA PeJP NA NA +PJ113062 VLLFYYY C53H69N7O11 979.5055 NA PeJP NA NA +PJ113063 GTTKMMRR C38H73N15O11S2 979.5056 NA PeJP NA NA +PJ113064 QQQQHRR C38H65N19O12 979.506 NA PeJP NA NA +PJ113065 GSPDHRRR C38H65N19O12 979.5061 NA PeJP NA NA +PJ113066 PCKKRYW C46H69N13O9S 979.5062 NA PeJP NA NA +PJ113067 KKFWWW C54H65N11O7 979.5069 NA PeJP NA NA +PJ113068 TTTTTTLLE C41H73N9O18 979.5074 NA PeJP NA NA +PJ113069 GTTTLLLMM C42H77N9O13S2 979.5083 NA PeJP NA NA +PJ113070 STTTTKRW C42H69N13O14 979.5087 NA PeJP NA NA +PJ113071 GGGGGGSLKKY C42H69N13O14 979.5088 NA PeJP NA NA +PJ113072 TKKMMRW C43H73N13O9S2 979.5096 NA PeJP NA NA +PJ113073 GSRRRYW C43H65N17O10 979.5101 NA PeJP NA NA +PJ113074 STTKKEMR C39H73N13O14S 979.5121 NA PeJP NA NA +PJ113075 VQKKEYW C47H69N11O12 979.5127 NA PeJP NA NA +PJ113076 TLLERYW C47H69N11O12 979.5128 NA PeJP NA NA +PJ113077 GVKKMMMR C40H77N13O9S3 979.513 NA PeJP NA NA +PJ113078 AQMRRRY C40H69N17O10S 979.5134 NA PeJP NA NA +PJ113079 GAAMRRRY C40H69N17O10S 979.5135 NA PeJP NA NA +PJ113080 APKHRWW C48H65N15O8 979.5141 NA PeJP NA NA +PJ113081 SSTLKKMW C44H73N11O12S 979.5161 NA PeJP NA NA +PJ113082 GGGAAPPPLLM C44H73N11O12S 979.5162 NA PeJP NA NA +PJ113083 SLLLYWW C52H69N9O10 979.5168 NA PeJP NA NA +PJ113084 NNQHRRR C37H65N21O11 979.5173 NA PeJP NA NA +PJ113085 GKMFRRW C45H69N15O8S 979.5175 NA PeJP NA NA +PJ113086 SSSTTLKKE C40H73N11O17 979.5186 NA PeJP NA NA +PJ113087 SVKKKEMM C41H77N11O12S2 979.5195 NA PeJP NA NA +PJ113088 TQKERRY C41H69N15O13 979.52 NA PeJP NA NA +PJ113089 GCILLLYW C49H73N9O10S 979.5201 NA PeJP NA NA +PJ113090 AALLLMYW C49H73N9O10S 979.5202 NA PeJP NA NA +PJ113091 LLFFFFF C57H69N7O8 979.5208 NA PeJP NA NA +PJ113092 SVLLKEEY C45H73N9O15 979.5226 NA PeJP NA NA +PJ113093 SLLLDKEY C45H73N9O15 979.5227 NA PeJP NA NA +PJ113094 STTTKMRR C38H73N15O13S 979.5233 NA PeJP NA NA +PJ113095 PVVLKMMY C46H77N9O10S2 979.5235 NA PeJP NA NA +MJ099071 Callitachykinin I C46H69N13O11 979.52395 NA MeJP NA NA +PJ113096 AKKERYW C46H69N13O11 979.524 NA PeJP NA NA +PJ113097 KKMMMRR C39H77N15O8S3 979.5242 NA PeJP NA NA +PJ113098 ACRRRRY C39H69N19O9S 979.5247 NA PeJP NA NA +PJ113099 STTTTLLLM C42H77N9O15S 979.526 NA PeJP NA NA +PJ113100 TLLLKMMM C43H81N9O10S3 979.5269 NA PeJP NA NA +PJ113101 LLEMRRY C43H73N13O11S 979.5274 NA PeJP NA NA +PJ113102 GLKKYWW C51H69N11O9 979.528 NA PeJP NA NA +PJ113103 ATTTTTTKR C39H73N13O16 979.5298 NA PeJP NA NA +C13892 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5'- C46H83N3O15P2 979.5299 NA KEGG NA NA +C13893 Transferred to D02155 C46H83N3O15P2 979.5299 NA KEGG NA NA +PJ113104 SSSTTTLKR C39H73N13O16 979.5299 NA PeJP NA NA +HMDB06970 CDP-DG(16:0/18:1(11Z)) C46H83N3O15P2 979.529968 NA HMDB2010 NA NA +HMDB06971 CDP-DG(16:0/18:1(9Z)) C46H83N3O15P2 979.529968 NA HMDB2010 NA NA +HMDB06986 CDP-DG(18:1(11Z)/16:0) C46H83N3O15P2 979.529968 NA HMDB2010 NA NA +HMDB06995 CDP-DG(18:1(9Z)/16:0) C46H83N3O15P2 979.529968 NA HMDB2010 NA NA +PJ113105 SSLKKMMR C40H77N13O11S2 979.5307 NA PeJP NA NA +PJ113106 SDKRRRY C40H69N17O12 979.5312 NA PeJP NA NA +PJ113107 VLLMRYW C48H73N11O9S 979.5314 NA PeJP NA NA +PJ113108 SSLLLERY C44H73N11O14 979.5339 NA PeJP NA NA +PJ113109 GLLLMMFR C45H77N11O9S2 979.5348 NA PeJP NA NA +PJ113110 ATKRRYW C45H69N15O10 979.5352 NA PeJP NA NA +PJ113111 PCHRRRR C38H69N21O8S 979.5359 NA PeJP NA NA +PJ113112 SSSSLLKKM C41H77N11O14S 979.5372 NA PeJP NA NA +PJ113113 GTTTTLKKM C41H77N11O14S 979.5373 NA PeJP NA NA +PJ113114 ATTLLLYW C49H73N9O12 979.5379 NA PeJP NA NA +PJ113115 ALKKKMMM C42H81N11O9S3 979.5381 NA PeJP NA NA +PJ113116 VQKMRRY C42H73N15O10S 979.5386 NA PeJP NA NA +PJ113117 VKHFFFR C50H69N13O8 979.5392 NA PeJP NA NA +PJ113118 PVKKHWW C50H69N13O8 979.5393 NA PeJP NA NA +PJ113119 ALLLKEMY C46H77N9O12S 979.5413 NA PeJP NA NA +PJ113120 SCCKKKKR C39H77N15O10S2 979.542 NA PeJP NA NA +PJ113121 SSRRRRY C39H69N19O11 979.5424 NA PeJP NA NA +PJ113122 GGLEHRRR C39H69N19O11 979.5425 NA PeJP NA NA +PJ113123 CLKKFRW C47H73N13O8S 979.5426 NA PeJP NA NA +PJ113124 KKKEERY C43H73N13O13 979.5451 NA PeJP NA NA +PJ113125 GGGGGGAPPLLK C43H73N13O13 979.5452 NA PeJP NA NA +PJ113126 PTKHRRW C44H69N17O9 979.5465 NA PeJP NA NA +PJ113127 GSSSKKKKM C40H77N13O13S 979.5485 NA PeJP NA NA +PJ113128 VKKKEYW C48H73N11O11 979.5491 NA PeJP NA NA +PJ113129 AVLLLEHW C48H73N11O11 979.5492 NA PeJP NA NA +PJ113130 AKMRRRY C41H73N17O9S 979.5498 NA PeJP NA NA +PJ113131 ATLLLMRY C45H77N11O11S 979.5525 NA PeJP NA NA +PJ113132 AALLLFFW C53H73N9O9 979.5532 NA PeJP NA NA +PJ113133 AEHRRRR C38H69N21O10 979.5537 NA PeJP NA NA +PJ113134 STTTTTLKK C41H77N11O16 979.555 NA PeJP NA NA +PJ113135 TTLKKKMM C42H81N11O11S2 979.5559 NA PeJP NA NA +PJ113136 GSNKKKRY C42H73N15O12 979.5563 NA PeJP NA NA +PJ113137 TKKERRY C42H73N15O12 979.5564 NA PeJP NA NA +PJ113138 PVVLKMFF C50H77N9O9S 979.5565 NA PeJP NA NA +PJ113139 GLHRRRW C43H69N19O8 979.5577 NA PeJP NA NA +PJ113140 TTLLLKEY C46H77N9O14 979.559 NA PeJP NA NA +PJ113141 GPPLLLLEE C46H77N9O14 979.5591 NA PeJP NA NA +PJ113142 VVLLKMMF C47H81N9O9S2 979.5599 NA PeJP NA NA +PJ113143 SLKKRYW C47H73N13O10 979.5604 NA PeJP NA NA +PJ113144 PKMHRRR C40H73N19O8S 979.5611 NA PeJP NA NA +PJ113145 GCLLKKRY C44H77N13O10S 979.5637 NA PeJP NA NA +PJ113146 AALKKMRY C44H77N13O10S 979.5638 NA PeJP NA NA +PJ113147 LLLLHWW C52H73N11O8 979.5644 NA PeJP NA NA +PJ113148 SSSSTKKKK C40H77N13O15 979.5662 NA PeJP NA NA +PJ113149 SCKKKKKM C41H81N13O10S2 979.5671 NA PeJP NA NA +PJ113150 TTKRRRY C41H73N17O11 979.5676 NA PeJP NA NA +PJ113151 LKKKMFW C49H77N11O8S 979.5678 NA PeJP NA NA +PJ113152 TTTLLLRY C45H77N11O13 979.5703 NA PeJP NA NA +PJ113153 GPPVLRRW C46H73N15O9 979.5716 NA PeJP NA NA +PJ113154 PPLLLLEW C50H77N9O11 979.5743 NA PeJP NA NA +PJ113155 VKKMRRY C43H77N15O9S 979.575 NA PeJP NA NA +PJ113156 SLLLLKMY C47H81N9O11S 979.5777 NA PeJP NA NA +PJ113157 VKEHRRR C40H73N19O10 979.5788 NA PeJP NA NA +PJ113158 ATTLKKRY C44H77N13O12 979.5815 NA PeJP NA NA +PJ113159 AKFFRRR C45H73N17O8 979.5828 NA PeJP NA NA +PJ113160 PPLRRRW C45H73N17O8 979.5829 NA PeJP NA NA +PJ113161 SVLLLLHW C49H77N11O10 979.5855 NA PeJP NA NA +PJ113162 GLLKKKMY C46H81N11O10S 979.5889 NA PeJP NA NA +PJ113163 SLHRRRR C39H73N21O9 979.5901 NA PeJP NA NA +PJ113164 PPTLLQRR C43H77N15O11 979.5927 NA PeJP NA NA +PJ113165 PPVVKERR C43H77N15O11 979.5928 NA PeJP NA NA +PJ113166 SPPVLLLLE C47H81N9O13 979.5954 NA PeJP NA NA +PJ113167 APPLLKRW C48H77N13O9 979.5968 NA PeJP NA NA +PJ113168 VVLLLMHR C45H81N13O9S 979.6001 NA PeJP NA NA +MJ099072 Prorocentrolide C56H85NO13 979.602091 NA MeJP NA NA +PJ113169 SPPVLRRR C42H77N17O10 979.604 NA PeJP NA NA +PJ113170 STLLKKKY C46H81N11O12 979.6067 NA PeJP NA NA +PJ113171 LLKKHRW C47H77N15O8 979.608 NA PeJP NA NA +PJ113172 ALLLLKFY C51H81N9O10 979.6107 NA PeJP NA NA +PJ113173 APPLLLLLM C48H85N9O10S 979.6141 NA PeJP NA NA +PJ113174 QKKKHRR C41H77N19O9 979.6152 NA PeJP NA NA +PJ113175 GTKKKKKY C45H81N13O11 979.6179 NA PeJP NA NA +PJ113176 PPVLLKKW C50H81N11O9 979.6219 NA PeJP NA NA +PJ113177 LLLLLKMH C47H85N11O9S 979.6253 NA PeJP NA NA +PJ113178 PPTLLKRR C44H81N15O10 979.6291 NA PeJP NA NA +PJ113179 GPLLLLLLE C48H85N9O12 979.6318 NA PeJP NA NA +PJ113180 GPLLLRRR C43H81N17O9 979.6404 NA PeJP NA NA +PJ113181 APPTLLLKK C47H85N11O11 979.643 NA PeJP NA NA +PJ113182 PPVVVTLKK C47H85N11O11 979.6431 NA PeJP NA NA +PJ113183 PLLLLLLW C52H85N9O9 979.6471 NA PeJP NA NA +PJ113184 KKKKHRR C42H81N19O8 979.6516 NA PeJP NA NA +PJ113185 PLLLLQKR C46H85N13O10 979.6543 NA PeJP NA NA +PJ113186 PVVLLKRR C45H85N15O9 979.6655 NA PeJP NA NA +PJ113187 SPVLLLLLL C49H89N9O11 979.6682 NA PeJP NA NA +PJ113188 GPVLLLLKK C48H89N11O10 979.6794 NA PeJP NA NA +PJ113189 PLLLLKKR C47H89N13O9 979.6907 NA PeJP NA NA +PJ113190 GLLLLLLLL C50H93N9O10 979.7046 NA PeJP NA NA +MJ099073 2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxytetracosanoyl), 1-O-[?-D-galactofuranosyl-(1?3)-?-D-galactopyranoside] C52H101NO15 979.717121 NA MeJP NA NA +MJ099074 Acanthalactoside A C52H101NO15 979.717121 NA MeJP NA NA +PJ113191 CCCCCCNDD C30H48N10O15S6 980.1625 NA PeJP NA NA +PJ113192 GSPCCCCCCC C31H52N10O12S7 980.1812 NA PeJP NA NA +PJ113193 SCCCCCNDM C31H52N10O14S6 980.1989 NA PeJP NA NA +PJ113194 GTCCCCCCW C35H52N10O11S6 980.2142 NA PeJP NA NA +PJ113195 GSSSCCCCCE C31H52N10O16S5 980.2167 NA PeJP NA NA +PJ113196 GCCCCCQMM C32H56N10O11S7 980.2175 NA PeJP NA NA +PJ113197 GGACCCCCMM C32H56N10O11S7 980.2176 NA PeJP NA NA +PJ113198 GCCCCCCMR C31H56N12O10S7 980.2288 NA PeJP NA NA +PJ113199 SSSCCCCCW C35H52N10O13S5 980.2319 NA PeJP NA NA +PJ113200 SSSSSCCCCD C31H52N10O18S4 980.2344 NA PeJP NA NA +PJ113201 SSCCCCNMM C32H56N10O13S6 980.2353 NA PeJP NA NA +PJ113202 CCCDDEMY C36H52N8O16S4 980.2385 NA PeJP NA NA +PJ113203 GCCCNDDDH C33H48N12O17S3 980.2423 NA PeJP NA NA +PJ113204 CCCEMMMM C34H60N8O11S7 980.2427 NA PeJP NA NA +PJ113205 STCCCCCCR C31H56N12O12S6 980.2465 NA PeJP NA NA +PJ113206 CCCCCNFW C39H52N10O10S5 980.2472 NA PeJP NA NA +PJ113207 GSCCCCNEY C35H52N10O15S4 980.2497 NA PeJP NA NA +PJ113208 GSSSTCCCCM C32H56N10O15S5 980.2531 NA PeJP NA NA +PJ113209 GCCCCCKMM C33H60N10O10S7 980.2539 NA PeJP NA NA +PJ113210 CCCDEMMF C37H56N8O13S5 980.2571 NA PeJP NA NA +MJ099075 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxybenzoyl-(??)-[4-hydroxybenzoyl-(??)]-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside]], 7-O-?-D-glucopyranoside C47H49O23(+) 980.258637 NA MeJP NA NA +PJ113211 SPCCCCNDH C34H52N12O14S4 980.2609 NA PeJP NA NA +PJ113212 SCCCCNYW C39H52N10O12S4 980.2649 NA PeJP NA NA +PJ113213 SSSCCCNDY C35H52N10O17S3 980.2674 NA PeJP NA NA +PJ113214 CDDDDMMH C35H52N10O17S3 980.2675 NA PeJP NA NA +PJ113215 CCCNNMMY C36H56N10O12S5 980.2683 NA PeJP NA NA +PJ113216 SSSSSSCCCM C32H56N10O17S4 980.2708 NA PeJP NA NA +PJ113217 PCCCDDYY C40H52N8O15S3 980.2715 NA PeJP NA NA +PJ113218 STCCCCCKM C33H60N10O12S6 980.2717 NA PeJP NA NA +PJ113219 GCCCCNNQH C33H52N14O13S4 980.2721 NA PeJP NA NA +PJ113220 GGGCCCCNQH C33H52N14O13S4 980.2722 NA PeJP NA NA +PJ113221 DDDDDEEE C35H48N8O25 980.2731 NA PeJP NA NA +PJ113222 SCCDEMMY C37H56N8O15S4 980.2748 NA PeJP NA NA +PJ113223 PCCCMMMY C38H60N8O10S6 980.2757 NA PeJP NA NA +PJ113224 CCCCEHHF C38H52N12O11S4 980.2762 NA PeJP NA NA +PJ113225 GCNNNDDDD C33H48N12O21S 980.2778 NA PeJP NA NA +PJ113226 GSCCNDDMH C34H52N12O16S3 980.2787 NA PeJP NA NA +PJ113227 TCCMMMMM C35H64N8O10S7 980.2791 NA PeJP NA NA +PJ113228 CCCCCQRY C35H56N12O11S5 980.2795 NA PeJP NA NA +PJ113229 GSCCCCCFR C35H56N12O11S5 980.2796 NA PeJP NA NA +MJ099076 3,4,7a,8,11-Pentahydroxy-1,13-dimethyl-7aH-dibenzo[c,kl]xanthen-12-one; 4,8-Bis-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] C44H52O25 980.279767 NA MeJP NA NA +PJ113230 CDDDDDHF C38H48N10O19S 980.2818 NA PeJP NA NA +PJ113231 CCCNNDFY C39H52N10O14S3 980.2827 NA PeJP NA NA +PJ113232 GSNDDDDDE C34H48N10O24 980.2843 NA PeJP NA NA +PJ113233 GGGSDDDDDE C34H48N10O24 980.2844 NA PeJP NA NA +PJ113234 GPCNDDDDM C35H52N10O19S2 980.2852 NA PeJP NA NA +PJ113235 GSSCCCQMY C36H56N10O14S4 980.2861 NA PeJP NA NA +PJ113236 CCDDDHHH C36H48N14O15S2 980.2866 NA PeJP NA NA +PJ113237 GCDDDMYY C40H52N8O17S2 980.2892 NA PeJP NA NA +PJ113238 SSCCCNNNH C33H52N14O15S3 980.2899 NA PeJP NA NA +PJ113239 PCCCDMFY C41H56N8O12S4 980.2901 NA PeJP NA NA +PJ113240 GPCCCCCHR C34H56N14O10S5 980.2908 NA PeJP NA NA +PJ113241 GCDMMMMY C38H60N8O12S5 980.2935 NA PeJP NA NA +PJ113242 SCCCNEHW C38H52N12O13S3 980.2939 NA PeJP NA NA +PJ113243 SSSCCNDEH C34H52N12O18S2 980.2964 NA PeJP NA NA +PJ113244 GGGGSPCCNDD C34H52N12O18S2 980.2965 NA PeJP NA NA +PJ113245 GSSCCCCRY C35H56N12O13S4 980.2973 NA PeJP NA NA +PJ113246 SNDDDDDW C38H48N10O21 980.2996 NA PeJP NA NA +PJ113247 SCCNNDYY C39H52N10O16S2 980.3004 NA PeJP NA NA +PJ113248 PCCNDDEW C39H52N10O16S2 980.3005 NA PeJP NA NA +PJ113249 CCCNNMFF C40H56N10O11S4 980.3013 NA PeJP NA NA +PJ113250 NNDDDEEM C35H52N10O21S 980.303 NA PeJP NA NA +PJ113251 SSSSCCNMY C36H56N10O16S3 980.3038 NA PeJP NA NA +PJ113252 CCDEYYW C44H52N8O14S2 980.3045 NA PeJP NA NA +PJ113253 CCCCQKMY C37H60N10O11S5 980.3047 NA PeJP NA NA +PJ113254 SSCDDEYY C40H52N8O19S 980.307 NA PeJP NA NA +PJ113255 GCCNNNNNE C33H52N14O17S2 980.3077 NA PeJP NA NA +PJ113256 SPCCDMYY C41H56N8O14S3 980.3078 NA PeJP NA NA +PJ113257 GCDDMMFY C41H56N8O14S3 980.3079 NA PeJP NA NA +PJ113258 CCCNDMHR C34H56N14O12S4 980.3085 NA PeJP NA NA +PJ113259 GGCCCDMHR C34H56N14O12S4 980.3086 NA PeJP NA NA +PJ113260 PCCCMMFF C42H60N8O9S5 980.3087 NA PeJP NA NA +PJ113261 GSCCCHWW C42H52N12O10S3 980.3092 NA PeJP NA NA +PJ113262 SDDEEEEE C36H52N8O24 980.3095 NA PeJP NA NA +PJ113263 PDDDEEMM C37H56N8O19S2 980.3104 NA PeJP NA NA +PJ113264 SSCEMMMY C38H60N8O14S4 980.3112 NA PeJP NA NA +PJ113265 GSSSCCDHW C38H52N12O15S2 980.3117 NA PeJP NA NA +PJ113266 GCMMMMMF C39H64N8O9S6 980.3121 NA PeJP NA NA +PJ113267 GCCNMMHW C39H56N12O10S4 980.3126 NA PeJP NA NA +PJ113268 CNDDDDER C34H52N12O20S 980.3142 NA PeJP NA NA +PJ113269 GSSCNDMMH C35H56N12O15S3 980.3151 NA PeJP NA NA +PJ113270 GPCCDDWW C43H52N10O13S2 980.3157 NA PeJP NA NA +PJ113271 CCCCCKRY C36H60N12O10S5 980.3159 NA PeJP NA NA +PJ113272 CCCNQHHH C36H52N16O11S3 980.3164 NA PeJP NA NA +PJ113273 GNDDDEMW C39H52N10O18S 980.3182 NA PeJP NA NA +PJ113274 GSPPCCCEW C40H56N10O13S3 980.3191 NA PeJP NA NA +PJ113275 GSSNDDEEE C35H52N10O23 980.3207 NA PeJP NA NA +PJ113276 GSSSSSTCCY C36H56N10O18S2 980.3216 NA PeJP NA NA +PJ113277 NNDDDDHH C36H48N14O19 980.3221 NA PeJP NA NA +PJ113278 GCDDDFFY C44H52N8O16S 980.3222 NA PeJP NA NA +PJ113279 GTTCCCCKY C37H60N10O13S4 980.3224 NA PeJP NA NA +PJ113280 GSSCCCKMY C37H60N10O13S4 980.3225 NA PeJP NA NA +PJ113281 CCNNNNNW C37H52N14O14S2 980.3229 NA PeJP NA NA +PJ113282 GGGGGGGGCCNW C37H52N14O14S2 980.323 NA PeJP NA NA +PJ113283 CCEMFYW C45H56N8O11S3 980.3231 NA PeJP NA NA +PJ113284 ACCCCHRW C38H56N14O9S4 980.3238 NA PeJP NA NA +PJ113285 PDDDDEEF C40H52N8O21 980.3248 NA PeJP NA NA +PJ113286 SSCNNNNND C33H52N14O19S 980.3254 NA PeJP NA NA +PJ113287 GGGGGGGGSSCND C33H52N14O19S 980.3255 NA PeJP NA NA +PJ113288 GSDDMMYY C41H56N8O16S2 980.3256 NA PeJP NA NA +PJ113289 GSSCCCEHR C34H56N14O14S3 980.3263 NA PeJP NA NA +PJ113290 APCCMMYY C42H60N8O11S4 980.3265 NA PeJP NA NA +PJ113291 GCCNDHFW C42H52N12O12S2 980.327 NA PeJP NA NA +PJ113292 GEEEEEEM C37H56N8O21S 980.3281 NA PeJP NA NA +PJ113293 SCNNNDEW C38H52N12O17S 980.3294 NA PeJP NA NA +PJ113294 GCDDDDRW C38H52N12O17S 980.3295 NA PeJP NA NA +PJ113295 GSMMMMMY C39H64N8O11S5 980.3298 NA PeJP NA NA +PJ113296 SSCCQMHW C39H56N12O12S3 980.3303 NA PeJP NA NA +PJ113297 SSSNNNDDE C34H52N12O22 980.3319 NA PeJP NA NA +PJ113298 GSSDDDDDR C34H52N12O22 980.332 NA PeJP NA NA +PJ113299 GSPCCDDER C35H56N12O17S2 980.3328 NA PeJP NA NA +PJ113300 GGGGGGGGDEMM C35H56N12O17S2 980.3329 NA PeJP NA NA +PJ113301 NDDDMWW C43H52N10O15S 980.3335 NA PeJP NA NA +PJ113302 GPPCCCDMR C36H60N12O12S4 980.3337 NA PeJP NA NA +PJ113303 GSSCCNHHH C36H52N16O13S2 980.3342 NA PeJP NA NA +PJ113304 SPPCCCWW C44H56N10O10S3 980.3343 NA PeJP NA NA +PJ113305 SSNDDEEW C39H52N10O20 980.336 NA PeJP NA NA +PJ113306 SPCNDEMW C40H56N10O15S2 980.3368 NA PeJP NA NA +PJ113307 GGSPCDEMW C40H56N10O15S2 980.3369 NA PeJP NA NA +PJ113308 DMMMMHW C41H60N10O10S4 980.3377 NA PeJP NA NA +PJ113309 SSSSSSSSCY C36H56N10O20S 980.3393 NA PeJP NA NA +PJ113310 GGGGSEEEEM C36H56N10O20S 980.3394 NA PeJP NA NA +PJ113311 NDDEYYY C44H52N8O18 980.34 NA PeJP NA NA +PJ113312 SSSTCCCKY C37H60N10O15S3 980.3402 NA PeJP NA NA +PJ113313 GSPCNDDHH C37H52N14O16S 980.3407 NA PeJP NA NA +PJ113314 SCEMYYW C45H56N8O13S2 980.3409 NA PeJP NA NA +PJ113315 CCCCKKMY C38H64N10O10S5 980.3411 NA PeJP NA NA +PJ113316 SSCCCHRW C38H56N14O11S3 980.3416 NA PeJP NA NA +PJ113317 EEEEEMW C41H56N8O18S 980.3434 NA PeJP NA NA +PJ113318 GSCNNNNQM C34H56N14O16S2 980.344 NA PeJP NA NA +PJ113319 SSSSCCDHR C34H56N14O16S2 980.3441 NA PeJP NA NA +PJ113320 NEMMMYY C42H60N8O13S3 980.3442 NA PeJP NA NA +PJ113321 GSCNNDWW C42H52N12O14S 980.3447 NA PeJP NA NA +PJ113322 SCCNMMHR C35H60N14O11S4 980.3449 NA PeJP NA NA +PJ113323 GCCMHHFF C43H56N12O9S3 980.3456 NA PeJP NA NA +PJ113324 STEEEEEE C37H56N8O23 980.3459 NA PeJP NA NA +PJ113325 SPEEEEMM C38H60N8O18S2 980.3467 NA PeJP NA NA +PJ113326 GSSSNNDDW C38H52N12O19 980.3472 NA PeJP NA NA +PJ113327 SSTMMMMY C39H64N8O13S4 980.3476 NA PeJP NA NA +PJ113328 SPCCDDRW C39H56N12O14S2 980.3481 NA PeJP NA NA +PJ113329 GCDEWWW C47H52N10O12S 980.3487 NA PeJP NA NA +PJ113330 ACCCKMHW C40H60N12O9S4 980.349 NA PeJP NA NA +PJ113331 SNDDDEMR C35H56N12O19S 980.3506 NA PeJP NA NA +PJ113332 GSSDDEWW C43H52N10O17 980.3512 NA PeJP NA NA +PJ113333 SSPPCCCER C36H60N12O14S3 980.3514 NA PeJP NA NA +PJ113334 PCNDDMMR C36H60N12O14S3 980.3515 NA PeJP NA NA +PJ113335 CNNNNEHH C36H52N16O15S 980.3519 NA PeJP NA NA +PJ113336 GGGGGGGGCEHH C36H52N16O15S 980.352 NA PeJP NA NA +PJ113337 GSPCDMWW C44H56N10O12S2 980.3521 NA PeJP NA NA +PJ113338 CCCNKHHH C37H56N16O10S3 980.3528 NA PeJP NA NA +PJ113339 GSNEEEMW C40H56N10O17S 980.3546 NA PeJP NA NA +PJ113340 GDDYYYW C48H52N8O15 980.3552 NA PeJP NA NA +PJ113341 GSCCNNNNR C33H56N16O15S2 980.3553 NA PeJP NA NA +PJ113342 GPNDMMMW C41H60N10O12S3 980.3555 NA PeJP NA NA +PJ113343 GCDEHHHF C41H52N14O13S 980.356 NA PeJP NA NA +PJ113344 PCCFYYW C49H56N8O10S2 980.3561 NA PeJP NA NA +PJ113345 TCCCCHRR C34H60N16O10S4 980.3562 NA PeJP NA NA +PJ113346 CMMHHHW C42H56N14O8S3 980.3568 NA PeJP NA NA +PJ113347 GSSSQEEEE C36H56N10O22 980.3571 NA PeJP NA NA +PJ113348 GQQEEEMM C37H60N10O17S2 980.358 NA PeJP NA NA +PJ113349 NNNNNNDY C37H52N14O18 980.3584 NA PeJP NA NA +PJ113350 GGGGGGNNNDY C37H52N14O18 980.3585 NA PeJP NA NA +PJ113351 GSPCEYYY C45H56N8O15S 980.3586 NA PeJP NA NA +PJ113352 ATEMMMMH C38H64N10O12S4 980.3588 NA PeJP NA NA +PJ113353 GGGPPTCMMM C38H64N10O12S4 980.3589 NA PeJP NA NA +PJ113354 GCCNNERW C38H56N14O13S2 980.3593 NA PeJP NA NA +PJ113355 GMMMYYW C46H60N8O10S3 980.3595 NA PeJP NA NA +PJ113356 ACCHHHHH C39H52N18O9S2 980.3607 NA PeJP NA NA +PJ113357 GPEEEEEY C41H56N8O20 980.3611 NA PeJP NA NA +PJ113358 SCDDDDRR C34H56N14O18S 980.3618 NA PeJP NA NA +PJ113359 GSTEMMYY C42H60N8O15S2 980.362 NA PeJP NA NA +PJ113360 GNNNDDFW C42H52N12O16 980.3625 NA PeJP NA NA +PJ113361 PCCCDERR C35H60N14O13S3 980.3627 NA PeJP NA NA +PJ113362 QMMMMFY C43H64N8O10S4 980.3629 NA PeJP NA NA +PJ113363 CNNQMWW C43H56N12O11S2 980.3633 NA PeJP NA NA +PJ113364 GGGGGACMWW C43H56N12O11S2 980.3634 NA PeJP NA NA +PJ113365 CDWWWW C51H52N10O9S 980.364 NA PeJP NA NA +PJ113366 SVEEEEEM C38H60N8O20S 980.3645 NA PeJP NA NA +PJ113367 PVDEEMMM C39H64N8O15S3 980.3654 NA PeJP NA NA +PJ113368 GSDDDMRW C39H56N12O16S 980.3658 NA PeJP NA NA +PJ113369 GGGGGGSSEMW C39H56N12O16S 980.3659 NA PeJP NA NA +PJ113370 SSDDWWW C47H52N10O14 980.3665 NA PeJP NA NA +PJ113371 GPCCEMRW C40H60N12O11S3 980.3667 NA PeJP NA NA +PJ113372 GCNNNHHW C40H52N16O12S 980.3672 NA PeJP NA NA +PJ113373 PTCCWWW C48H56N10O9S2 980.3673 NA PeJP NA NA +PJ113374 GSSSDDEER C35H56N12O21 980.3683 NA PeJP NA NA +PJ113375 GGGGGGSSSTEE C35H56N12O21 980.3684 NA PeJP NA NA +PJ113376 GNDEEMMR C36H60N12O16S2 980.3692 NA PeJP NA NA +PJ113377 GSSNNNDHH C36H52N16O17 980.3697 NA PeJP NA NA +PJ113378 NNNMYYY C44H56N10O14S 980.3698 NA PeJP NA NA +PJ113379 SNEEMWW C44H56N10O14S 980.3699 NA PeJP NA NA +PJ113380 GSPPCCMMR C37H64N12O11S4 980.3701 NA PeJP NA NA +PJ113381 PCCNDHHR C37H56N16O12S2 980.3706 NA PeJP NA NA +PJ113382 PCQMMWW C45H60N10O9S3 980.3707 NA PeJP NA NA +PJ113383 CDHHHFW C45H52N14O10S 980.3712 NA PeJP NA NA +PJ113384 SSSQEEEW C40H56N10O19 980.3723 NA PeJP NA NA +PJ113385 GGSSTEEEW C40H56N10O19 980.3724 NA PeJP NA NA +PJ113386 QQEEMMW C41H60N10O14S2 980.3732 NA PeJP NA NA +PJ113387 GSNDEHHW C41H52N14O15 980.3737 NA PeJP NA NA +PJ113388 SPCYYYW C49H56N8O12S 980.3739 NA PeJP NA NA +PJ113389 CMMMFRY C42H64N10O9S4 980.3741 NA PeJP NA NA +PJ113390 CCNNRWW C42H56N14O10S2 980.3746 NA PeJP NA NA +PJ113391 SNDKEEEM C37H60N10O19S 980.3757 NA PeJP NA NA +PJ113392 PEEEEYW C45H56N8O17 980.3764 NA PeJP NA NA +PJ113393 TTTEMMMH C38H64N10O14S3 980.3766 NA PeJP NA NA +PJ113394 SSCNNDRW C38H56N14O15S 980.3771 NA PeJP NA NA +PJ113395 STMMYYW C46H60N8O12S2 980.3772 NA PeJP NA NA +PJ113396 GGEMMFFY C46H60N8O12S2 980.3773 NA PeJP NA NA +PJ113397 GLMMMMMH C39H68N10O9S5 980.3775 NA PeJP NA NA +PJ113398 GCCQMHFR C39H60N14O10S3 980.3779 NA PeJP NA NA +PJ113399 GGACCMHFR C39H60N14O10S3 980.378 NA PeJP NA NA +PJ113400 SSCHHHHH C39H52N18O11S 980.3784 NA PeJP NA NA +PJ113401 SSSSNNDDR C34H56N14O20 980.3796 NA PeJP NA NA +PJ113402 SSTTEMYY C42H60N8O17S 980.3797 NA PeJP NA NA +PJ113403 SPPEEEMY C42H60N8O17S 980.3798 NA PeJP NA NA +PJ113404 VCCDDDRR C35H60N14O15S2 980.3804 NA PeJP NA NA +PJ113405 GCDDEMRR C35H60N14O15S2 980.3805 NA PeJP NA NA +PJ113406 DKMMMYY C43H64N8O12S3 980.3806 NA PeJP NA NA +PJ113407 SCDERWW C43H56N12O13S 980.3811 NA PeJP NA NA +PJ113408 TCCCKMHR C36H64N14O10S4 980.3813 NA PeJP NA NA +PJ113409 PCCMRWW C44H60N12O8S3 980.382 NA PeJP NA NA +PJ113410 ALEEEEMM C39H64N8O17S2 980.3831 NA PeJP NA NA +PJ113411 SSSDDERW C39H56N12O18 980.3836 NA PeJP NA NA +PJ113412 ATNNNMMW C40H60N12O13S2 980.3844 NA PeJP NA NA +PJ113413 NDEMMRW C40H60N12O13S2 980.3845 NA PeJP NA NA +PJ113414 SPDDHHHH C40H52N16O14 980.3849 NA PeJP NA NA +PJ113415 GSEMWWW C48H56N10O11S 980.3851 NA PeJP NA NA +PJ113416 ASSSNQQEM C36H60N12O18S 980.3869 NA PeJP NA NA +PJ113417 SSNEEEMR C36H60N12O18S 980.387 NA PeJP NA NA +PJ113418 GSSTEEWW C44H56N10O16 980.3876 NA PeJP NA NA +PJ113419 SPNDMMMR C37H64N12O13S3 980.3878 NA PeJP NA NA +PJ113420 GGGGGGVQMMM C37H64N12O13S3 980.3879 NA PeJP NA NA +PJ113421 GNDDMHHR C37H56N16O14S 980.3883 NA PeJP NA NA +PJ113422 AQEMMWW C45H60N10O11S2 980.3885 NA PeJP NA NA +PJ113423 SNDHHWW C45H52N14O12 980.389 NA PeJP NA NA +PJ113424 GCCCHFRR C38H60N16O9S3 980.3892 NA PeJP NA NA +PJ113425 GSDKEEMW C41H60N10O16S 980.391 NA PeJP NA NA +PJ113426 GTEYYYW C49H56N8O14 980.3916 NA PeJP NA NA +PJ113427 SCCNNERR C34H60N16O14S2 980.3917 NA PeJP NA NA +PJ113428 SMMMRYY C42H64N10O11S3 980.3918 NA PeJP NA NA +PJ113429 GPTQMMMW C42H64N10O11S3 980.3919 NA PeJP NA NA +PJ113430 NQEMHHW C42H56N14O12S 980.3923 NA PeJP NA NA +PJ113431 GGGGGGPPCHW C42H56N14O12S 980.3924 NA PeJP NA NA +PJ113432 GMMFFYW C50H60N8O9S2 980.3925 NA PeJP NA NA +PJ113433 GSSSKEEEE C37H60N10O21 980.3935 NA PeJP NA NA +PJ113434 APTTTNDMM C38H64N10O16S2 980.3943 NA PeJP NA NA +PJ113435 GQKEEEMM C38H64N10O16S2 980.3944 NA PeJP NA NA +PJ113436 GNNNDERY C38H56N14O17 980.3948 NA PeJP NA NA +PJ113437 GGGGGGGDERY C38H56N14O17 980.3949 NA PeJP NA NA +PJ113438 VNEMYYY C46H60N8O14S 980.395 NA PeJP NA NA +PJ113439 STLMMMMH C39H68N10O11S4 980.3952 NA PeJP NA NA +PJ113440 FYYYYY C54H56N6O12 980.3956 NA PeJP NA NA +PJ113441 CDDMRRW C39H60N14O12S2 980.3957 NA PeJP NA NA +PJ113442 QMMMFFF C47H64N8O9S3 980.3959 NA PeJP NA NA +PJ113443 GNNEHHHH C39H52N18O13 980.3962 NA PeJP NA NA +PJ113444 CNQHFFW C47H56N12O10S 980.3963 NA PeJP NA NA +PJ113445 GGCQHFFW C47H56N12O10S 980.3964 NA PeJP NA NA +PJ113446 SPVEEEEY C42H60N8O19 980.3975 NA PeJP NA NA +PJ113447 SSDDDMRR C35H60N14O17S 980.3982 NA PeJP NA NA +PJ113448 SSSLMMYY C43H64N8O14S2 980.3984 NA PeJP NA NA +PJ113449 SSSSNQWW C43H56N12O15 980.3988 NA PeJP NA NA +PJ113450 GGGGSSSTWW C43H56N12O15 980.3989 NA PeJP NA NA +PJ113451 SPCCEMRR C36H64N14O12S3 980.3991 NA PeJP NA NA +PJ113452 KMMMMFY C44H68N8O9S4 980.3992 NA PeJP NA NA +PJ113453 PPPMMMMF C44H68N8O9S4 980.3993 NA PeJP NA NA +PJ113454 SCNNNHHR C36H56N18O13S 980.3995 NA PeJP NA NA +PJ113455 GGGGSCNHHR C36H56N18O13S 980.3996 NA PeJP NA NA +PJ113456 GDMMRWW C44H60N12O10S2 980.3997 NA PeJP NA NA +PJ113457 SMWWWW C52H56N10O8S 980.4004 NA PeJP NA NA +PJ113458 TTLEEEEM C39H64N8O19S 980.4009 NA PeJP NA NA +PJ113459 PTLEEMMM C40H68N8O14S3 980.4018 NA PeJP NA NA +PJ113460 GSSEEMRW C40H60N12O15S 980.4022 NA PeJP NA NA +PJ113461 GGGGGGGGVEMF C40H60N12O15S 980.4023 NA PeJP NA NA +PJ113462 PPLMMMMM C41H72N8O9S5 980.4026 NA PeJP NA NA +PJ113463 SSTEWWW C48H56N10O13 980.4029 NA PeJP NA NA +PJ113464 GPTCMMRW C41H64N12O10S3 980.4031 NA PeJP NA NA +PJ113465 CNEHHRW C41H56N16O11S 980.4036 NA PeJP NA NA +PJ113466 AAMMWWW C49H60N10O8S2 980.4037 NA PeJP NA NA +PJ113467 GSSSTEEER C36H60N12O20 980.4047 NA PeJP NA NA +PJ113468 GTQEEMMR C37H64N12O15S2 980.4056 NA PeJP NA NA +PJ113469 ASSTNNNHH C37H56N16O16 980.406 NA PeJP NA NA +PJ113470 SSNDEHHR C37H56N16O16 980.4061 NA PeJP NA NA +PJ113471 SDKEMWW C45H60N10O13S 980.4062 NA PeJP NA NA +PJ113472 GGAAPEMYW C45H60N10O13S 980.4063 NA PeJP NA NA +PJ113473 GPQMMMMR C38H68N12O10S4 980.4065 NA PeJP NA NA +PJ113474 TYYYWW C53H56N8O11 980.4069 NA PeJP NA NA +PJ113475 PCKMMWW C46H64N10O8S3 980.4071 NA PeJP NA NA +PJ113476 GQMHHWW C46H56N14O9S 980.4076 NA PeJP NA NA +PJ113477 SSSKEEEW C41H60N10O18 980.4087 NA PeJP NA NA +PJ113478 GGGLQEEEY C41H60N10O18 980.4088 NA PeJP NA NA +PJ113479 GSSSCNDRR C34H60N16O16S 980.4094 NA PeJP NA NA +PJ113480 QKEEMMW C42H64N10O13S2 980.4096 NA PeJP NA NA +PJ113481 NNNDRYW C42H56N14O14 980.4101 NA PeJP NA NA +PJ113482 ACLYYYW C50H60N8O11S 980.4102 NA PeJP NA NA +PJ113483 GVMYYYW C50H60N8O11S 980.4103 NA PeJP NA NA +PJ113484 APCCKHHW C43H60N14O9S2 980.411 NA PeJP NA NA +PJ113485 NNHHHHW C43H52N18O10 980.4114 NA PeJP NA NA +PJ113486 STQKEEEM C38H64N10O18S 980.4121 NA PeJP NA NA +PJ113487 SSPTTYYY C46H60N8O16 980.4127 NA PeJP NA NA +PJ113488 LEEEEFW C46H60N8O16 980.4128 NA PeJP NA NA +PJ113489 SPQKEMMM C39H68N10O13S3 980.413 NA PeJP NA NA +PJ113490 SSSNNMRW C39H60N14O14S 980.4134 NA PeJP NA NA +PJ113491 GGSSSNMRW C39H60N14O14S 980.4135 NA PeJP NA NA +PJ113492 VQMMFYY C47H64N8O11S2 980.4136 NA PeJP NA NA +PJ113493 GNQQYWW C47H56N12O12 980.4141 NA PeJP NA NA +PJ113494 PPCCCFRR C40H64N14O9S3 980.4143 NA PeJP NA NA +PJ113495 SSSSSNQER C35H60N14O19 980.4159 NA PeJP NA NA +PJ113496 GGSSSSSQER C35H60N14O19 980.416 NA PeJP NA NA +PJ113497 TTTTTMYY C43H64N8O16S 980.4161 NA PeJP NA NA +PJ113498 GSDEMMRR C36H64N14O14S2 980.4168 NA PeJP NA NA +PJ113499 GGGGGGASCCKK C36H64N14O14S2 980.4169 NA PeJP NA NA +PJ113500 PPVEMMMF C44H68N8O11S3 980.417 NA PeJP NA NA +PJ113501 SSEMRWW C44H60N12O12S 980.4175 NA PeJP NA NA +PJ113502 GPCMMMRR C37H68N14O9S4 980.4177 NA PeJP NA NA +PJ113503 GSPYWWW C52H56N10O10 980.4181 NA PeJP NA NA +PJ113504 GCHHRWW C45H56N16O8S 980.4188 NA PeJP NA NA +PJ113505 SLLEEEMM C40H68N8O16S2 980.4195 NA PeJP NA NA +PJ113506 SSSTEERW C40H60N12O17 980.42 NA PeJP NA NA +PJ113507 PVLEMMMM C41H72N8O11S4 980.4204 NA PeJP NA NA +PJ113508 TQEMMRW C41H64N12O12S2 980.4208 NA PeJP NA NA +PJ113509 GATEMMRW C41H64N12O12S2 980.4209 NA PeJP NA NA +PJ113510 GSSDHHRW C41H56N16O13 980.4213 NA PeJP NA NA +PJ113511 GGGGGGGAAHHF C41H56N16O13 980.4214 NA PeJP NA NA +PJ113512 ATTMWWW C49H60N10O10S 980.4215 NA PeJP NA NA +PJ113513 GGACCCRRR C34H64N18O10S3 980.4216 NA PeJP NA NA +PJ113514 STTQEEMR C37H64N12O17S 980.4233 NA PeJP NA NA +PJ113515 SSDKEEMR C37H64N12O17S 980.4234 NA PeJP NA NA +PJ113516 SSSSLEWW C45H60N10O15 980.424 NA PeJP NA NA +PJ113517 GVQEMMMR C38H68N12O12S3 980.4242 NA PeJP NA NA +PJ113518 GCNNDFRR C38H60N16O13S 980.4247 NA PeJP NA NA +PJ113519 AKEMMWW C46H64N10O10S2 980.4249 NA PeJP NA NA +PJ113520 STQHHWW C46H56N14O11 980.4253 NA PeJP NA NA +PJ113521 GGGGPQHWW C46H56N14O11 980.4254 NA PeJP NA NA +PJ113522 GMFFFFW C54H60N8O8S 980.4255 NA PeJP NA NA +PJ113523 GTTKEEMW C42H64N10O15S 980.4274 NA PeJP NA NA +PJ113524 SSLYYYW C50H60N8O13 980.428 NA PeJP NA NA +PJ113525 SSCNQMRR C35H64N16O13S2 980.4281 NA PeJP NA NA +PJ113526 GPTKMMMW C43H68N10O10S3 980.4282 NA PeJP NA NA +PJ113527 GGGVLMMMW C43H68N10O10S3 980.4283 NA PeJP NA NA +MJ099077 Furosta-5,25(27)-diene-1,3,22,26-tetrol, 22-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?2)-4-O-sulfo-?-L-arabinopyranoside], 26-O-?-D-glucopyranoside C45H72O21S 980.42868 NA MeJP NA NA +PJ113528 NNNMFRW C43H60N14O11S 980.4287 NA PeJP NA NA +PJ113529 GSTTTKEEE C38H64N10O20 980.4299 NA PeJP NA NA +PJ113530 ADKKEEMM C39H68N10O15S2 980.4307 NA PeJP NA NA +PJ113531 GKKEEEMM C39H68N10O15S2 980.4308 NA PeJP NA NA +PJ113532 GSSSSSQRW C39H60N14O16 980.4312 NA PeJP NA NA +PJ113533 GGGGGGGGGGPPPT C39H60N14O16 980.4313 NA PeJP NA NA +PJ113534 VDKMYYY C47H64N8O13S 980.4314 NA PeJP NA NA +PJ113535 PVNKMMMM C40H72N10O10S4 980.4316 NA PeJP NA NA +PJ113536 SDMMRRW C40H64N14O11S2 980.4321 NA PeJP NA NA +PJ113537 KMMMFFF C48H68N8O8S3 980.4323 NA PeJP NA NA +PJ113538 EEHHHHR C40H56N18O12 980.4326 NA PeJP NA NA +PJ113539 APCRYWW C48H60N12O9S 980.4327 NA PeJP NA NA +PJ113540 AFWWWW C56H56N10O7 980.4334 NA PeJP NA NA +PJ113541 GLLEEEEY C43H64N8O18 980.4339 NA PeJP NA NA +PJ113542 SSSEEMRR C36H64N14O16S 980.4346 NA PeJP NA NA +PJ113543 PPTLEMMY C44H68N8O13S2 980.4348 NA PeJP NA NA +PJ113544 SSSSNKWW C44H60N12O14 980.4352 NA PeJP NA NA +PJ113545 GGGGGGGTLYW C44H60N12O14 980.4353 NA PeJP NA NA +PJ113546 QEMMMRR C37H68N14O11S3 980.4355 NA PeJP NA NA +PJ113547 GSCEHHRR C37H60N18O12S 980.4359 NA PeJP NA NA +PJ113548 ATMMRWW C45H64N12O9S2 980.4361 NA PeJP NA NA +PJ113549 VEHHHHW C45H56N16O10 980.4366 NA PeJP NA NA +PJ113550 VVLEEMMM C41H72N8O13S3 980.4381 NA PeJP NA NA +PJ113551 GTTTEMRW C41H64N12O14S 980.4386 NA PeJP NA NA +PJ113552 TTTTWWW C49H60N10O12 980.4392 NA PeJP NA NA +PJ113553 GGALEYWW C49H60N10O12 980.4393 NA PeJP NA NA +PJ113554 VQMMMRW C42H68N12O9S3 980.4395 NA PeJP NA NA +PJ113555 SQMHHRW C42H60N16O10S 980.4399 NA PeJP NA NA +PJ113556 GGTMHHRW C42H60N16O10S 980.44 NA PeJP NA NA +PJ113557 AHHHFFW C50H56N14O8 980.4406 NA PeJP NA NA +PJ113558 SSSSSLEER C37H64N12O19 980.4411 NA PeJP NA NA +PJ113559 GTKEEMMR C38H68N12O14S2 980.442 NA PeJP NA NA +PJ113560 GSNNDRRY C38H60N16O15 980.4424 NA PeJP NA NA +PJ113561 GGGSNDRRY C38H60N16O15 980.4425 NA PeJP NA NA +PJ113562 TTKEMWW C46H64N10O12S 980.4426 NA PeJP NA NA +PJ113563 GPKMMMMR C39H72N12O9S4 980.4429 NA PeJP NA NA +PJ113564 GVFFYYW C54H60N8O10 980.4433 NA PeJP NA NA +PJ113565 GSNHHHHR C39H56N20O11 980.4438 NA PeJP NA NA +PJ113566 PPCHRWW C47H60N14O8S 980.444 NA PeJP NA NA +PJ113567 STTTKEEW C42H64N10O17 980.4451 NA PeJP NA NA +PJ113568 GGGPPPLEEE C42H64N10O17 980.4452 NA PeJP NA NA +PJ113569 GSSSSNMRR C35H64N16O15S 980.4458 NA PeJP NA NA +PJ113570 KKEEMMW C43H68N10O12S2 980.446 NA PeJP NA NA +PJ113571 GDERRYW C43H60N14O13 980.4465 NA PeJP NA NA +PJ113572 VQMFFFY C51H64N8O10S 980.4466 NA PeJP NA NA +PJ113573 GGLMFFFY C51H64N8O10S 980.4467 NA PeJP NA NA +PJ113574 STKKEEEM C39H68N10O17S 980.4485 NA PeJP NA NA +PJ113575 GTTTLYYY C47H64N8O15 980.4491 NA PeJP NA NA +PJ113576 LLEEEYW C47H64N8O15 980.4492 NA PeJP NA NA +PJ113577 SPKKEMMM C40H72N10O12S3 980.4494 NA PeJP NA NA +PJ113578 SSSCQKRW C40H64N14O13S 980.4498 NA PeJP NA NA +PJ113579 GGGGGVQMRY C40H64N14O13S 980.4499 NA PeJP NA NA +PJ113580 VKMMFYY C48H68N8O10S2 980.45 NA PeJP NA NA +PJ113581 AAERYWW C48H60N12O11 980.4505 NA PeJP NA NA +PJ113582 AMMMRRW C41H68N14O8S3 980.4507 NA PeJP NA NA +PJ113583 SCHHRRW C41H60N18O9S 980.4512 NA PeJP NA NA +PJ113584 SSSSSNKER C36H64N14O18 980.4523 NA PeJP NA NA +PJ113585 SPLLEEMY C44H68N8O15S 980.4525 NA PeJP NA NA +PJ113586 GTTEMMRR C37H68N14O13S2 980.4532 NA PeJP NA NA +PJ113587 PPVLMMMY C45H72N8O10S3 980.4534 NA PeJP NA NA +PJ113588 SSSDHHRR C37H60N18O14 980.4537 NA PeJP NA NA +PJ113589 NQQKMFW C45H64N12O11S 980.4538 NA PeJP NA NA +PJ113590 TTTMRWW C45H64N12O11S 980.4539 NA PeJP NA NA +PJ113591 LQYWWW C53H60N10O9 980.4545 NA PeJP NA NA +PJ113592 NMMHHRR C38H64N18O9S2 980.4546 NA PeJP NA NA +PJ113593 SSSSPPTRY C41H64N12O16 980.4563 NA PeJP NA NA +MJ099078 Pheganomycin DGPT C41H64N12O16 980.456324 NA MeJP NA NA +PJ113594 STTTTERW C41H64N12O16 980.4564 NA PeJP NA NA +PJ113595 TKEMMRW C42H68N12O11S2 980.4572 NA PeJP NA NA +PJ113596 GGGGPCKKMF C42H68N12O11S2 980.4573 NA PeJP NA NA +PJ113597 PDDHRRW C42H60N16O12 980.4577 NA PeJP NA NA +PJ113598 APKMYWW C50H64N10O9S 980.4579 NA PeJP NA NA +PJ113599 STTKEEMR C38H68N12O16S 980.4597 NA PeJP NA NA +PJ113600 SSTTTLWW C46H64N10O14 980.4604 NA PeJP NA NA +PJ113601 GVKEMMMR C39H72N12O11S3 980.4606 NA PeJP NA NA +PJ113602 NNQMRRY C39H64N16O12S 980.4611 NA PeJP NA NA +PJ113603 SLKMMWW C47H68N10O9S2 980.4612 NA PeJP NA NA +PJ113604 AAPKMMFW C47H68N10O9S2 980.4613 NA PeJP NA NA +PJ113605 DRRYWW C47H60N14O10 980.4617 NA PeJP NA NA +PJ113606 SSSSSSQRR C35H64N16O17 980.4636 NA PeJP NA NA +PJ113607 STTLDKMW C43H68N10O14S 980.4637 NA PeJP NA NA +PJ113608 SSTLKEMW C43H68N10O14S 980.4638 NA PeJP NA NA +PJ113609 PTKFYYY C51H64N8O12 980.4644 NA PeJP NA NA +PJ113610 GGSSCKMRR C36H68N16O12S2 980.4645 NA PeJP NA NA +PJ113611 AALKMMMW C44H72N10O9S3 980.4646 NA PeJP NA NA +PJ113612 GNNNNHRR C36H60N20O13 980.4649 NA PeJP NA NA +PJ113613 GGGGGGGGGHRR C36H60N20O13 980.465 NA PeJP NA NA +PJ113614 PTCRRYW C44H64N14O10S 980.4651 NA PeJP NA NA +PJ113615 TFRWWW C52H60N12O8 980.4657 NA PeJP NA NA +PJ113616 GPLHWWW C52H60N12O8 980.4658 NA PeJP NA NA +PJ113617 ATTTTTKEE C39H68N10O19 980.4662 NA PeJP NA NA +PJ113618 SSSTTLKEE C39H68N10O19 980.4663 NA PeJP NA NA +PJ113619 SVKKEEMM C40H72N10O14S2 980.4671 NA PeJP NA NA +PJ113620 GSSSSSKRW C40H64N14O15 980.4676 NA PeJP NA NA +PJ113621 TLKMYYY C48H68N8O12S 980.4678 NA PeJP NA NA +PJ113622 PCLKKMMM C41H76N10O9S4 980.468 NA PeJP NA NA +PJ113623 TTMMRRW C41H68N14O10S2 980.4685 NA PeJP NA NA +PJ113624 NDHHFRR C41H60N18O11 980.4689 NA PeJP NA NA +PJ113625 GGDHHFRR C41H60N18O11 980.469 NA PeJP NA NA +PJ113626 GVMFRWW C49H64N12O8S 980.4691 NA PeJP NA NA +PJ113627 SVLLEEEY C44H68N8O17 980.4703 NA PeJP NA NA +PJ113628 STTTEMRR C37H68N14O15S 980.471 NA PeJP NA NA +PJ113629 PVVLEMMY C45H72N8O12S2 980.4712 NA PeJP NA NA +PJ113630 AKEERYW C45H64N12O13 980.4716 NA PeJP NA NA +PJ113631 GGGGGGGGVLFF C45H64N12O13 980.4717 NA PeJP NA NA +PJ113632 KEMMMRR C38H72N14O10S3 980.4718 NA PeJP NA NA +PJ113633 GGACKKMMR C38H72N14O10S3 980.4719 NA PeJP NA NA +PJ113634 CNNRRRY C38H64N18O11S 980.4723 NA PeJP NA NA +PJ113635 CCKKKWW C46H68N12O8S2 980.4725 NA PeJP NA NA +PJ113636 AQHHFRW C46H60N16O9 980.473 NA PeJP NA NA +PJ113637 TLLLEMMM C42H76N8O12S3 980.4745 NA PeJP NA NA +PJ113638 SSTTLMRW C42H68N12O13S 980.475 NA PeJP NA NA +PJ113639 GLKEYWW C50H64N10O11 980.4756 NA PeJP NA NA +PJ113640 APPPVEWW C50H64N10O11 980.4757 NA PeJP NA NA +PJ113641 VKMMMRW C43H72N12O8S3 980.4759 NA PeJP NA NA +PJ113642 SKMHHRW C43H64N16O9S 980.4763 NA PeJP NA NA +PJ113643 SSSTTTLER C38H68N12O18 980.4775 NA PeJP NA NA +PJ113644 SSLKEMMR C39H72N12O13S2 980.4784 NA PeJP NA NA +PJ113645 SDERRRY C39H64N16O14 980.4788 NA PeJP NA NA +PJ113646 GGGGSPKEHR C39H64N16O14 980.4789 NA PeJP NA NA +PJ113647 PKKEMYW C47H68N10O11S 980.479 NA PeJP NA NA +PJ113648 PCMRRRY C40H68N16O9S2 980.4797 NA PeJP NA NA +3150 erythropoietin receptor agonist peptide DREGCRRGWVGQCKAWFN 980.4804 MH2+ Inhouse_peptide NA peptide +PJ113649 MFRRWW C48H64N14O7S 980.4804 NA PeJP NA NA +PJ113650 SSSSTTLLW C43H68N10O16 980.4815 NA PeJP NA NA +PJ113651 GSSSTCKRR C36H68N16O14S 980.4822 NA PeJP NA NA +PJ113652 ATTLKMMW C44H72N10O11S2 980.4824 NA PeJP NA NA +PJ113653 ATERRYW C44H64N14O12 980.4828 NA PeJP NA NA +MJ099079 1-Dodecanol; O-[2,4-Di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-2,4-di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] C46H76O22 980.482824 NA MeJP NA NA +MJ099080 1-Dodecanol; O-[3,4-Di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-2,4-di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] C46H76O22 980.482824 NA MeJP NA NA +MJ099081 Mezzettiaside 7; 2'''-Ac C46H76O22 980.482824 NA MeJP NA NA +MJ099082 Mezzettiaside 7; 3'''-Ac C46H76O22 980.482824 NA MeJP NA NA +PJ113654 SVDRRYW C44H64N14O12 980.4829 NA PeJP NA NA +PJ113655 VKMFFFY C52H68N8O9S 980.483 NA PeJP NA NA +PJ113656 TMMMRRR C37H72N16O9S3 980.4831 NA PeJP NA NA +PJ113657 SSSSLLKEM C40H72N10O16S 980.4849 NA PeJP NA NA +PJ113658 SPPLLEYY C48H68N8O14 980.4855 NA PeJP NA NA +PJ113659 ALKKEMMM C41H76N10O11S3 980.4858 NA PeJP NA NA +PJ113660 SSSCKKRW C41H68N14O12S 980.4862 NA PeJP NA NA +PJ113661 GGGGGPPPVMR C41H68N14O12S 980.4863 NA PeJP NA NA +PJ113662 PPVLMMFF C49H72N8O9S2 980.4864 NA PeJP NA NA +PJ113663 GTLRYWW C49H64N12O10 980.4869 NA PeJP NA NA +PJ113664 SSSSSDKKR C37H68N14O17 980.4887 NA PeJP NA NA +PJ113665 ALLLEEMY C45H72N8O14S 980.4889 NA PeJP NA NA +PJ113666 SSTLMMRR C38H72N14O12S2 980.4896 NA PeJP NA NA +PJ113667 PVLLMMMF C46H76N8O9S3 980.4898 NA PeJP NA NA +PJ113668 SSTTHHRR C38H64N18O13 980.4901 NA PeJP NA NA +PJ113669 PTKMRYW C46H68N12O10S 980.4902 NA PeJP NA NA +PJ113670 GGVLMRYW C46H68N12O10S 980.4903 NA PeJP NA NA +PJ113671 LKYWWW C54H64N10O8 980.4909 NA PeJP NA NA +PJ113672 GSSSTTKKW C42H68N12O15 980.4927 NA PeJP NA NA +PJ113673 GGSSLLERY C42H68N12O15 980.4928 NA PeJP NA NA +PJ113674 VLLLMMMM C43H80N8O9S4 980.4932 NA PeJP NA NA +PJ113675 GTCKKKMW C43H72N12O10S2 980.4936 NA PeJP NA NA +PJ113676 PTEHRRW C43H64N16O11 980.4941 NA PeJP NA NA +PJ113677 ALKMFWW C51H68N10O8S 980.4943 NA PeJP NA NA +PJ113678 SSSSTLLMR C39H72N12O15S 980.4961 NA PeJP NA NA +PJ113679 VKKEEYW C47H68N10O13 980.4968 NA PeJP NA NA +PJ113680 ATLKMMMR C40H76N12O10S3 980.497 NA PeJP NA NA +PJ113681 AEMRRRY C40H68N16O11S 980.4975 NA PeJP NA NA +PJ113682 SPLHRWW C48H64N14O9 980.4981 NA PeJP NA NA +PJ113683 SSSSSSKRR C36H68N16O16 980.4999 NA PeJP NA NA +PJ113684 TTTTLKMW C44H72N10O13S 980.5001 NA PeJP NA NA +PJ113685 GGALLKEMY C44H72N10O13S 980.5002 NA PeJP NA NA +PJ113686 VVKFYYY C52H68N8O11 980.5008 NA PeJP NA NA +PJ113687 NNEHRRR C37H64N20O12 980.5013 NA PeJP NA NA +PJ113688 GLMRRYW C45H68N14O9S 980.5015 NA PeJP NA NA +PJ113689 STTTTTLKE C40H72N10O18 980.5026 NA PeJP NA NA +PJ113690 TTLKKEMM C41H76N10O13S2 980.5035 NA PeJP NA NA +PJ113691 TKEERRY C41H68N14O14 980.504 NA PeJP NA NA +PJ113692 PPVVLMYY C49H72N8O11S 980.5042 NA PeJP NA NA +PJ113693 PKMMRRY C42H72N14O9S2 980.5049 NA PeJP NA NA +PJ113694 AQQHRRW C42H64N18O10 980.5053 NA PeJP NA NA +PJ113695 TTLLLEEY C45H72N8O16 980.5067 NA PeJP NA NA +PJ113696 ASSSSKKMR C38H72N14O14S 980.5073 NA PeJP NA NA +PJ113697 GSSSTKKMR C38H72N14O14S 980.5074 NA PeJP NA NA +PJ113698 PTLLLMMY C46H76N8O11S2 980.5075 NA PeJP NA NA +PJ113699 SLKERYW C46H68N12O12 980.508 NA PeJP NA NA +PJ113700 GCKKKMMR C39H76N14O9S3 980.5082 NA PeJP NA NA +PJ113701 PEMHRRR C39H68N18O10S 980.5087 NA PeJP NA NA +PJ113702 AKHHFRW C47H64N16O8 980.5094 NA PeJP NA NA +PJ113703 SSSKKKMW C43H72N12O12S 980.5114 NA PeJP NA NA +PJ113704 SVLKYWW C51H68N10O10 980.512 NA PeJP NA NA +PJ113705 PVMHRRW C44H68N16O8S 980.5127 NA PeJP NA NA +PJ113706 STTTTTTLR C39H72N12O17 980.5139 NA PeJP NA NA +PJ113707 TTTLKMMR C40H76N12O12S2 980.5147 NA PeJP NA NA +PJ113708 GGTTKKKMM C40H76N12O12S2 980.5148 NA PeJP NA NA +PJ113709 TTERRRY C40H68N16O13 980.5152 NA PeJP NA NA +PJ113710 GGGGGGAAPPKR C40H68N16O13 980.5153 NA PeJP NA NA +PJ113711 LLQKMYW C48H72N10O10S 980.5154 NA PeJP NA NA +PJ113712 CLMFRRR C41H72N16O8S2 980.5161 NA PeJP NA NA +PJ113713 GNHRRRW C41H64N20O9 980.5166 NA PeJP NA NA +PJ113714 ATLKKEEY C44H72N10O15 980.5179 NA PeJP NA NA +PJ113715 APLKKMMY C45H76N10O10S2 980.5188 NA PeJP NA NA +PJ113716 STLRRYW C45H68N14O11 980.5192 NA PeJP NA NA +PJ113717 GALLEHRW C45H68N14O11 980.5193 NA PeJP NA NA +PJ113718 SSTTTLLKM C41H76N10O15S 980.5213 NA PeJP NA NA +PJ113719 APLLLEYY C49H72N8O13 980.5219 NA PeJP NA NA +PJ113720 SLLKKMMM C42H80N10O10S3 980.5221 NA PeJP NA NA +PJ113721 VKEMRRY C42H72N14O11S 980.5226 NA PeJP NA NA +PJ113722 VLLQHWW C50H68N12O9 980.5233 NA PeJP NA NA +PJ113723 SSSSTTKKR C38H72N14O16 980.5251 NA PeJP NA NA +PJ113724 SLLLLEMY C46H76N8O13S 980.5253 NA PeJP NA NA +PJ113725 STCKKKMR C39H76N14O11S2 980.526 NA PeJP NA NA +PJ113726 QQKEHRR C39H68N18O12 980.5264 NA PeJP NA NA +PJ113727 VEEHRRR C39H68N18O12 980.5265 NA PeJP NA NA +PJ113728 VVKMRYW C47H72N12O9S 980.5266 NA PeJP NA NA +PJ113729 ATTLKERY C43H72N12O14 980.5291 NA PeJP NA NA +PJ113730 GAPPLLEER C43H72N12O14 980.5292 NA PeJP NA NA +PJ113731 GVLKMMFR C44H76N12O9S2 980.53 NA PeJP NA NA +PJ113732 VVEHRRW C44H68N16O10 980.5305 NA PeJP NA NA +PJ113733 GSTTTKKKM C40H76N12O14S 980.5325 NA PeJP NA NA +MJ099083 MA Toxin II C48H72N10O12 980.533117 NA MeJP NA NA +MJ099084 [D-Asp3,ADMAdda5,Dhb7]Microcystins; [D-Asp3,ADMAdda5,Dhb7]Microcystin LR, 2''Z-Isomer, 9'-O-de-Ac, O9'-Me C48H72N10O12 980.533117 NA MeJP NA NA +PJ113734 GTTLLKYW C48H72N10O12 980.5332 NA PeJP NA NA +PJ113735 GKKKKMMM C41H80N12O9S3 980.5334 NA PeJP NA NA +PJ113736 SLMRRRY C41H72N16O10S 980.5338 NA PeJP NA NA +PJ113737 GACKKRRY C41H72N16O10S 980.5339 NA PeJP NA NA +MJ099085 Jujubogenin; 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-arabinopyranoside], 20-O-(2,3-di-O-acetyl-?-L-rhamnopyranoside) C51H80O18 980.534465 NA MeJP NA NA +C08991 Ziziphin C51H80O18 980.5345 NA KEGG NA NA +PJ113738 ALLHRWW C49H68N14O8 980.5345 NA PeJP NA NA +PJ113739 GLLKKEMY C45H76N10O12S 980.5365 NA PeJP NA NA +PJ113740 PPVVLFFY C53H72N8O10 980.5372 NA PeJP NA NA +PJ113741 NDKHRRR C38H68N20O11 980.5377 NA PeJP NA NA +PJ113742 PKMFFRR C46H72N14O8S 980.5379 NA PeJP NA NA +PJ113743 SSSLLRRY C42H72N14O13 980.5404 NA PeJP NA NA +PJ113744 PVVLLMFY C50H76N8O10S 980.5406 NA PeJP NA NA +PJ113745 LKMMFRR C43H76N14O8S2 980.5412 NA PeJP NA NA +PJ113746 PPNRRRW C43H68N18O9 980.5417 NA PeJP NA NA +PJ113747 VVLLLMMY C47H80N8O10S2 980.5439 NA PeJP NA NA +PJ113748 TQKKKYW C47H72N12O11 980.5444 NA PeJP NA NA +PJ113749 GPCKKHRR C40H72N18O9S 980.5451 NA PeJP NA NA +PJ113750 GTLLKMRY C44H76N12O11S 980.5478 NA PeJP NA NA +PJ113751 GPPLLLWW C52H72N10O9 980.5484 NA PeJP NA NA +PJ113752 SNHRRRR C37H68N22O10 980.5489 NA PeJP NA NA +PJ113753 SSTTTTKKK C40H76N12O16 980.5502 NA PeJP NA NA +PJ113754 STKKKKMM C41H80N12O11S2 980.5511 NA PeJP NA NA +PJ113755 GSSKKRRY C41H72N16O12 980.5516 NA PeJP NA NA +PJ113756 LLKKMYW C49H76N10O9S 980.5518 NA PeJP NA NA +PJ113757 STLLKKEY C45H76N10O14 980.5543 NA PeJP NA NA +PJ113758 ALLKKMMF C46H80N10O9S2 980.5552 NA PeJP NA NA +MJ099086 Peptide PH-8P C46H72N14O10 980.555584 NA MeJP NA NA +MJ099087 Dammarane-3,12,20,24,25-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C48H84O20 980.555595 NA MeJP NA NA +PJ113759 LLKEHRW C46H72N14O10 980.5556 NA PeJP NA NA +PJ113760 SPLLLLYY C50H76N8O12 980.5583 NA PeJP NA NA +PJ113761 QKKKMRY C43H76N14O10S 980.559 NA PeJP NA NA +PJ113762 VLLKHWW C51H72N12O8 980.5597 NA PeJP NA NA +PJ113763 APPTQRRR C40H72N18O11 980.5628 NA PeJP NA NA +PJ113764 GPPDKRRR C40H72N18O11 980.5629 NA PeJP NA NA +PJ113765 STTLLKRY C44H76N12O13 980.5655 NA PeJP NA NA +PJ113766 GGGGGGAPLLLL C44H76N12O13 980.5656 NA PeJP NA NA +PJ113767 TLLHRRW C45H72N16O9 980.5669 NA PeJP NA NA +PJ113768 GSPPVLLLW C49H76N10O11 980.5695 NA PeJP NA NA +PJ113769 PPVLLKEW C49H76N10O11 980.5696 NA PeJP NA NA +PJ113770 CKKKRRY C42H76N16O9S 980.5702 NA PeJP NA NA +PJ113771 SVLLKKMY C46H80N10O11S 980.5729 NA PeJP NA NA +PJ113772 PVVLLFFF C54H76N8O9 980.5736 NA PeJP NA NA +PJ113773 GSPPRRRR C39H72N20O10 980.5741 NA PeJP NA NA +PJ113774 GTTKKKRY C43H76N14O12 980.5768 NA PeJP NA NA +PJ113775 VVLLLMFF C51H80N8O9S 980.5769 NA PeJP NA NA +PJ113776 AKKHRRW C44H72N18O8 980.5781 NA PeJP NA NA +PJ113777 TKKKKYW C48H76N12O10 980.5808 NA PeJP NA NA +PJ113778 LLMHRRR C41H76N18O8S 980.5815 NA PeJP NA NA +PJ113779 GVKKKKMY C45H80N12O10S 980.5842 NA PeJP NA NA +PJ113780 LLKKFFW C53H76N10O8 980.5848 NA PeJP NA NA +PJ113781 SSLLLHRR C42H76N16O11 980.588 NA PeJP NA NA +PJ113782 APPTLLLKE C46H80N10O13 980.5907 NA PeJP NA NA +PJ113783 GPPLKKRW C47H76N14O9 980.592 NA PeJP NA NA +PJ113784 ALLLLLYY C51H80N8O11 980.5947 NA PeJP NA NA +PJ113785 KKKKMRY C44H80N14O9S 980.5954 NA PeJP NA NA +PJ113786 APPTKRRR C41H76N18O10 980.5992 NA PeJP NA NA +PJ113787 SSLKKKKY C45H80N12O12 980.6019 NA PeJP NA NA +PJ113788 VKKKHRW C46H76N16O8 980.6032 NA PeJP NA NA +PJ113789 PVLLLLQW C50H80N10O10 980.6059 NA PeJP NA NA +PJ113790 GPPLLLLKM C47H84N10O10S 980.6093 NA PeJP NA NA +PJ113791 PLQRRRR C40H76N20O9 980.6105 NA PeJP NA NA +PJ113792 TTLLLKHR C44H80N14O11 980.6131 NA PeJP NA NA +PJ113793 PVVLLERR C44H80N14O11 980.6132 NA PeJP NA NA +PJ113794 APLLLLRW C49H80N12O9 980.6172 NA PeJP NA NA +PJ113795 VLLLKKMH C46H84N12O9S 980.6205 NA PeJP NA NA +PJ113796 SPPLKKRR C43H80N16O10 980.6244 NA PeJP NA NA +PJ113797 GPVLLLLKE C47H84N10O12 980.6271 NA PeJP NA NA +PJ113798 KKKKFFR C48H80N14O8 980.6284 NA PeJP NA NA +MJ099088 Galantin I C41H84N14O13 980.634228 NA MeJP NA NA +PJ113799 GPVLKRRR C42H80N18O9 980.6356 NA PeJP NA NA +PJ113800 PLLLLKER C46H84N12O11 980.6383 NA PeJP NA NA +PJ113801 PVLLLLKW C51H84N10O9 980.6423 NA PeJP NA NA +PJ113802 PLKRRRR C41H80N20O8 980.6469 NA PeJP NA NA +PJ113803 PTLLLLRR C45H84N14O10 980.6495 NA PeJP NA NA +PJ113804 APLLKKRR C44H84N16O9 980.6608 NA PeJP NA NA +PJ113805 APTILLLLK C48H88N10O11 980.6634 NA PeJP NA NA +PJ113806 APTLLLLLK C48H88N10O11 980.6635 NA PeJP NA NA +PJ113807 LLLLLLQR C47H88N12O10 980.6747 NA PeJP NA NA +PJ113808 VVLLLLRR C46H88N14O9 980.6859 NA PeJP NA NA +PJ113809 GVLLLLLLK C49H92N10O10 980.6998 NA PeJP NA NA +PJ113810 LLLLLLKR C48H92N12O9 980.7111 NA PeJP NA NA +HMDB10544 TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] C65H104O6 980.783264 NA HMDB2010 NA NA +PJ113811 CCCCCCDDD C30H47N9O16S6 981.1466 NA PeJP NA NA +PJ113812 CCCCCCCNQ C30H51N11O12S7 981.1764 NA PeJP NA NA +PJ113813 SCCCCCDDM C31H51N9O15S6 981.1829 NA PeJP NA NA +PJ113814 GSSCCCCCCN C30H51N11O14S6 981.1942 NA PeJP NA NA +PJ113815 GCCCCCEMM C32H55N9O12S7 981.2016 NA PeJP NA NA +PJ113816 CCCCCCCNK C31H55N11O11S7 981.2128 NA PeJP NA NA +PJ113817 GCCCCCDEF C35H51N9O14S5 981.216 NA PeJP NA NA +PJ113818 CCCCCMMW C36H55N9O9S7 981.2168 NA PeJP NA NA +PJ113819 SSCCCCDMM C32H55N9O14S6 981.2193 NA PeJP NA NA +PJ113820 ACCCCCCHH C33H51N13O10S6 981.2207 NA PeJP NA NA +PJ113821 GCCCDDDDH C33H47N11O18S3 981.2263 NA PeJP NA NA +PJ113822 GCCCCCNNY C34H51N11O13S5 981.2272 NA PeJP NA NA +PJ113823 CCCCCDFW C39H51N9O11S5 981.2312 NA PeJP NA NA +PJ113824 GSCCCCDEY C35H51N9O16S4 981.2337 NA PeJP NA NA +PJ113825 GPCCCCCMY C36H55N9O11S6 981.2346 NA PeJP NA NA +PJ113826 GTCCCCMMM C33H59N9O11S7 981.2379 NA PeJP NA NA +PJ113827 SSCCCCCHH C33H51N13O12S5 981.2384 NA PeJP NA NA +PJ113828 SPCCCCDDH C34H51N11O15S4 981.2449 NA PeJP NA NA +PJ113829 SCCCCDYW C39H51N9O13S4 981.249 NA PeJP NA NA +PJ113830 SSSCCCDDY C35H51N9O18S3 981.2515 NA PeJP NA NA +PJ113831 CCCNDMMY C36H55N9O13S5 981.2523 NA PeJP NA NA +PJ113832 SSSCCCMMM C33H59N9O13S6 981.2557 NA PeJP NA NA +PJ113833 GCCCCNNEH C33H51N13O14S4 981.2562 NA PeJP NA NA +PJ113834 GCNNDDDDD C33H47N11O22S 981.2618 NA PeJP NA NA +PJ113835 GSCCDDDMH C34H51N11O17S3 981.2627 NA PeJP NA NA +PJ113836 CCCCCERY C35H55N11O12S5 981.2636 NA PeJP NA NA +PJ113837 CCCNDDFY C39H51N9O15S3 981.2667 NA PeJP NA NA +PJ113838 ACCCCMYW C40H55N9O10S5 981.2676 NA PeJP NA NA +PJ113839 GSDDDDDDE C34H47N9O25 981.2684 NA PeJP NA NA +PJ113840 GPCDDDDDM C35H51N9O20S2 981.2692 NA PeJP NA NA +PJ113841 GSSCCCEMY C36H55N9O15S4 981.2701 NA PeJP NA NA +PJ113842 CCCNMMMF C37H59N9O10S6 981.271 NA PeJP NA NA +PJ113843 CCCCNNHW C37H51N13O11S4 981.2714 NA PeJP NA NA +PJ113844 SSCCCNNDH C33H51N13O16S3 981.2739 NA PeJP NA NA +PJ113845 SCCCDEHW C38H51N11O14S3 981.278 NA PeJP NA NA +PJ113846 PCCCCMHW C39H55N11O9S5 981.2788 NA PeJP NA NA +PJ113847 SSSCCDDEH C34H51N11O19S2 981.2805 NA PeJP NA NA +PJ113848 CCNDEMMH C35H55N11O14S4 981.2813 NA PeJP NA NA +PJ113849 SDDDDDDW C38H47N9O22 981.2836 NA PeJP NA NA +PJ113850 PCCDDDEW C39H51N9O17S2 981.2845 NA PeJP NA NA +PJ113851 SSCCCMYW C40H55N9O12S4 981.2853 NA PeJP NA NA +PJ113852 GGCCCDMFF C40H55N9O12S4 981.2854 NA PeJP NA NA +PJ113853 NDDDDEEM C35H51N9O22S 981.287 NA PeJP NA NA +PJ113854 SSSSCCDMY C36H55N9O17S3 981.2878 NA PeJP NA NA +PJ113855 SPPCCDDDM C36H55N9O17S3 981.2879 NA PeJP NA NA +PJ113856 SCCNMMMY C37H59N9O12S5 981.2887 NA PeJP NA NA +PJ113857 GCCNNNNDE C33H51N13O18S2 981.2917 NA PeJP NA NA +PJ113858 ASCCCNNMH C34H55N13O13S4 981.2925 NA PeJP NA NA +PJ113859 CCCDDMHR C34H55N13O13S4 981.2926 NA PeJP NA NA +PJ113860 CCNDDEHF C38H51N11O16S2 981.2957 NA PeJP NA NA +PJ113861 GCCDMMHW C39H55N11O11S4 981.2966 NA PeJP NA NA +PJ113862 CDDDDDER C34H51N11O21S 981.2982 NA PeJP NA NA +PJ113863 GSSCDDMMH C35H55N11O16S3 981.2991 NA PeJP NA NA +PJ113864 TCCCCMRY C36H59N11O11S5 981.2999 NA PeJP NA NA +PJ113865 GPTCCCMMH C36H59N11O11S5 981.3 NA PeJP NA NA +PJ113866 CCCNEHHH C36H51N15O12S3 981.3004 NA PeJP NA NA +PJ113867 ACCCCFFW C44H55N9O9S4 981.3006 NA PeJP NA NA +PJ113868 GDDDDEMW C39H51N9O19S 981.3022 NA PeJP NA NA +PJ113869 GCCNEMYY C40H55N9O14S3 981.3031 NA PeJP NA NA +PJ113870 GSCCCCNHR C33H55N15O12S4 981.3038 NA PeJP NA NA +PJ113871 GSSDDDEEE C35H51N9O24 981.3047 NA PeJP NA NA +PJ113872 GSPDDDDMM C36H55N9O19S2 981.3056 NA PeJP NA NA +PJ113873 NDDDDDHH C36H47N13O20 981.3061 NA PeJP NA NA +PJ113874 GSSTCCMMY C37H59N9O14S4 981.3065 NA PeJP NA NA +PJ113875 CCNNNNDW C37H51N13O15S2 981.3069 NA PeJP NA NA +PJ113876 GGGGCCNNDW C37H51N13O15S2 981.307 NA PeJP NA NA +PJ113877 SSCNNNNDD C33H51N13O20S 981.3094 NA PeJP NA NA +PJ113878 GGGGSSCNNDD C33H51N13O20S 981.3095 NA PeJP NA NA +PJ113879 GPCCCNDDR C34H55N13O15S3 981.3103 NA PeJP NA NA +PJ113880 GCCDDHFW C42H51N11O13S2 981.311 NA PeJP NA NA +PJ113881 SCNNDDEW C38H51N11O18S 981.3135 NA PeJP NA NA +PJ113882 SSCCEMHW C39H55N11O13S3 981.3143 NA PeJP NA NA +PJ113883 GGGGPCCDMW C39H55N11O13S3 981.3144 NA PeJP NA NA +PJ113884 GCCCHHHW C40H51N15O9S3 981.3157 NA PeJP NA NA +PJ113885 SSSNNDDDE C34H51N11O23 981.316 NA PeJP NA NA +PJ113886 SSSSCDEMH C35H55N11O18S2 981.3168 NA PeJP NA NA +PJ113887 GGGGNDDEMM C35H55N11O18S2 981.3169 NA PeJP NA NA +PJ113888 DDDDMWW C43H51N9O16S 981.3175 NA PeJP NA NA +PJ113889 SCNEMMMH C36H59N11O13S4 981.3177 NA PeJP NA NA +PJ113890 GSSCCDHHH C36H51N15O14S2 981.3182 NA PeJP NA NA +PJ113891 CCNMYYW C44H55N9O11S3 981.3183 NA PeJP NA NA +PJ113892 GGCCMYYW C44H55N9O11S3 981.3184 NA PeJP NA NA +PJ113893 SSDDDEEW C39H51N9O21 981.32 NA PeJP NA NA +PJ113894 SSCNDMYY C40H55N9O16S2 981.3208 NA PeJP NA NA +PJ113895 SPCDDEMW C40H55N9O16S2 981.3209 NA PeJP NA NA +PJ113896 PPCCDMMW C41H59N9O11S4 981.3217 NA PeJP NA NA +PJ113897 SNDEEEEM C36H55N9O21S 981.3234 NA PeJP NA NA +PJ113898 DDDEYYY C44H51N7O19 981.324 NA PeJP NA NA +PJ113899 SSSSSCMMY C37H59N9O16S3 981.3242 NA PeJP NA NA +PJ113900 GSPCDDDHH C37H51N13O17S 981.3247 NA PeJP NA NA +PJ113901 TCCCKMMY C38H63N9O11S5 981.3251 NA PeJP NA NA +PJ113902 CCNNNMHF C38H55N13O12S3 981.3256 NA PeJP NA NA +PJ113903 CNNDDDMR C34H55N13O17S2 981.3281 NA PeJP NA NA +PJ113904 DEMMMYY C42H59N7O14S3 981.3282 NA PeJP NA NA +PJ113905 GSCNDDWW C42H51N11O15S 981.3287 NA PeJP NA NA +PJ113906 SCCDMMHR C35H59N13O12S4 981.3289 NA PeJP NA NA +PJ113907 GGSPPCCCCR C35H59N13O12S4 981.329 NA PeJP NA NA +PJ113908 GPCCCQWW C43H55N11O10S3 981.3296 NA PeJP NA NA +PJ113909 GSSSNDDDW C38H51N11O20 981.3312 NA PeJP NA NA +PJ113910 GGGGGGDDDEF C38H51N11O20 981.3313 NA PeJP NA NA +PJ113911 GNNDDMMW C39H55N11O15S2 981.3321 NA PeJP NA NA +PJ113912 GSCMMMHW C40H59N11O10S4 981.333 NA PeJP NA NA +PJ113913 SDDDDEMR C35H55N11O20S 981.3346 NA PeJP NA NA +PJ113914 GPDDDDYW C43H51N9O18 981.3353 NA PeJP NA NA +PJ113915 PCDDDMMR C36H59N11O15S3 981.3355 NA PeJP NA NA +PJ113916 CNNNDEHH C36H51N15O16S 981.3359 NA PeJP NA NA +PJ113917 GGGGCNDEHH C36H51N15O16S 981.336 NA PeJP NA NA +PJ113918 GSTCCYYW C44H55N9O13S2 981.3361 NA PeJP NA NA +PJ113919 GNMMMMMH C37H63N11O10S5 981.3363 NA PeJP NA NA +PJ113920 SCCQMHHH C37H55N15O11S3 981.3368 NA PeJP NA NA +PJ113921 GSDEEEMW C40H55N9O18S 981.3386 NA PeJP NA NA +PJ113922 GSCCNNNDR C33H55N15O16S2 981.3393 NA PeJP NA NA +PJ113923 GPDDMMMW C41H59N9O13S3 981.3395 NA PeJP NA NA +PJ113924 PPCCCHHW C42H55N13O9S3 981.3408 NA PeJP NA NA +PJ113925 GSSSEEEEE C36H55N9O23 981.3411 NA PeJP NA NA +PJ113926 GQEEEEMM C37H59N9O18S2 981.342 NA PeJP NA NA +PJ113927 NNNNNDDY C37H51N13O19 981.3424 NA PeJP NA NA +PJ113928 GGNNNNDDY C37H51N13O19 981.3425 NA PeJP NA NA +PJ113929 DDEMFYY C45H55N7O16S 981.3426 NA PeJP NA NA +PJ113930 GSPPCEMMM C38H63N9O13S4 981.3429 NA PeJP NA NA +PJ113931 GCCNDERW C38H55N13O14S2 981.3433 NA PeJP NA NA +PJ113932 GGGGGGGGSCMW C38H55N13O14S2 981.3434 NA PeJP NA NA +PJ113933 GSSCNDDER C34H55N13O19S 981.3458 NA PeJP NA NA +PJ113934 GGGGGGGGSSSDM C34H55N13O19S 981.3459 NA PeJP NA NA +PJ113935 GNNDDDFW C42H51N11O17 981.3465 NA PeJP NA NA +PJ113936 GSPCCNDMR C35H59N13O14S3 981.3467 NA PeJP NA NA +PJ113937 EMMMMFY C43H63N7O11S4 981.3469 NA PeJP NA NA +PJ113938 CNNEMWW C43H55N11O12S2 981.3473 NA PeJP NA NA +PJ113939 GGCNEMWW C43H55N11O12S2 981.3474 NA PeJP NA NA +PJ113940 ACCMMMHR C36H63N13O9S5 981.3476 NA PeJP NA NA +PJ113941 SCCCHHHR C36H55N17O10S3 981.348 NA PeJP NA NA +PJ113942 SSNNDEMW C39H55N11O17S 981.3498 NA PeJP NA NA +PJ113943 GGSSNDEMW C39H55N11O17S 981.3499 NA PeJP NA NA +PJ113944 SSTCMMHW C40H59N11O12S3 981.3507 NA PeJP NA NA +PJ113945 GCNNDHHW C40H51N15O13S 981.3512 NA PeJP NA NA +PJ113946 CCNFFYW C48H55N9O10S2 981.3514 NA PeJP NA NA +PJ113947 SSSSNNEEE C35H55N11O22 981.3523 NA PeJP NA NA +PJ113948 GGSSSSNEEE C35H55N11O22 981.3524 NA PeJP NA NA +PJ113949 GDDEEMMR C36H59N11O17S2 981.3532 NA PeJP NA NA +PJ113950 GSSNNDDHH C36H51N15O18 981.3537 NA PeJP NA NA +PJ113951 SDEEMWW C44H55N9O15S 981.3539 NA PeJP NA NA +PJ113952 SSQMMMMH C37H63N11O12S4 981.3541 NA PeJP NA NA +PJ113953 PCCDDHHR C37H55N15O13S2 981.3546 NA PeJP NA NA +PJ113954 PCEMMWW C45H59N9O10S3 981.3547 NA PeJP NA NA +PJ113955 GGACCMFFF C45H59N9O10S3 981.3548 NA PeJP NA NA +PJ113956 SSSSSSDYY C40H55N9O20 981.3563 NA PeJP NA NA +PJ113957 SSSEEEEW C40H55N9O20 981.3564 NA PeJP NA NA +PJ113958 QEEEMMW C41H59N9O15S2 981.3572 NA PeJP NA NA +PJ113959 GAEEEMMW C41H59N9O15S2 981.3573 NA PeJP NA NA +PJ113960 GSDDEHHW C41H51N13O16 981.3577 NA PeJP NA NA +PJ113961 CCNNNQMR C34H59N15O13S3 981.3579 NA PeJP NA NA +PJ113962 GGGGGGCCQMR C34H59N15O13S3 981.358 NA PeJP NA NA +PJ113963 SPPCMMMW C42H63N9O10S4 981.3581 NA PeJP NA NA +PJ113964 CCNDRWW C42H55N13O11S2 981.3586 NA PeJP NA NA +PJ113965 STQEEEEM C37H59N9O20S 981.3597 NA PeJP NA NA +PJ113966 GGTTEEEEM C37H59N9O20S 981.3598 NA PeJP NA NA +PJ113967 SEEEYYY C45H55N7O18 981.3604 NA PeJP NA NA +PJ113968 SPQEEMMM C38H63N9O15S3 981.3606 NA PeJP NA NA +PJ113969 SSCNDDRW C38H55N13O16S 981.3611 NA PeJP NA NA +PJ113970 PDMMYYY C46H59N7O13S2 981.3613 NA PeJP NA NA +PJ113971 PPNMMMMM C39H67N9O10S5 981.3615 NA PeJP NA NA +PJ113972 SPCCCQRW C39H59N13O11S3 981.362 NA PeJP NA NA +PJ113973 GCNMWWW C47H55N11O9S2 981.3626 NA PeJP NA NA +PJ113974 SSSSNDDDR C34H55N13O21 981.3636 NA PeJP NA NA +PJ113975 GSSNNNQMM C35H59N13O16S2 981.3644 NA PeJP NA NA +PJ113976 SNNDDMMR C35H59N13O16S2 981.3645 NA PeJP NA NA +PJ113977 GSSNDMWW C43H55N11O14S 981.3651 NA PeJP NA NA +PJ113978 SSCMMMHR C36H63N13O11S4 981.3653 NA PeJP NA NA +PJ113979 GPCCCKWW C44H59N11O9S3 981.366 NA PeJP NA NA +PJ113980 GSSSSNEEW C39H55N11O19 981.3676 NA PeJP NA NA +PJ113981 DDEMMRW C40H59N11O14S2 981.3685 NA PeJP NA NA +PJ113982 PCDEFWW C48H55N9O12S 981.3691 NA PeJP NA NA +PJ113983 CCCNNNRR C33H59N17O12S3 981.3692 NA PeJP NA NA +PJ113984 GCNMHHHF C41H55N15O10S2 981.3698 NA PeJP NA NA +PJ113985 SSDEEEMR C36H59N11O19S 981.371 NA PeJP NA NA +PJ113986 GSPDEEYW C44H55N9O17 981.3716 NA PeJP NA NA +PJ113987 GSSTTMMMH C37H63N11O14S3 981.3718 NA PeJP NA NA +PJ113988 SPDDMMMR C37H63N11O14S3 981.3719 NA PeJP NA NA +PJ113989 GDDDMHHR C37H55N15O15S 981.3723 NA PeJP NA NA +PJ113990 AEEMMWW C45H59N9O12S2 981.3725 NA PeJP NA NA +PJ113991 ACKMMMMH C38H67N11O9S5 981.3727 NA PeJP NA NA +PJ113992 SDDHHWW C45H51N13O13 981.373 NA PeJP NA NA +PJ113993 SCCKMHHH C38H59N15O10S3 981.3732 NA PeJP NA NA +PJ113994 GTTEEEMW C41H59N9O17S 981.375 NA PeJP NA NA +PJ113995 PDDFYYY C49H55N7O15 981.3756 NA PeJP NA NA +PJ113996 DDEFFFY C49H55N7O15 981.3757 NA PeJP NA NA +PJ113997 GPTEMMMW C42H63N9O12S3 981.3759 NA PeJP NA NA +PJ113998 GCNNNQFW C42H55N13O13S 981.3763 NA PeJP NA NA +PJ113999 GGGGGCNQFW C42H55N13O13S 981.3764 NA PeJP NA NA +PJ114000 PCCCNMRR C35H63N15O10S4 981.3766 NA PeJP NA NA +PJ114001 CCMHFRW C43H59N13O8S3 981.3772 NA PeJP NA NA +PJ114002 GSTTTEEEE C37H59N9O22 981.3775 NA PeJP NA NA +PJ114003 GKEEEEMM C38H63N9O17S2 981.3784 NA PeJP NA NA +PJ114004 SSSSSNNNW C38H55N13O18 981.3788 NA PeJP NA NA +PJ114005 GGGGGGSSSSSW C38H55N13O18 981.3789 NA PeJP NA NA +PJ114006 VDEMYYY C46H59N7O15S 981.379 NA PeJP NA NA +PJ114007 PVNEMMMM C39H67N9O12S4 981.3792 NA PeJP NA NA +PJ114008 GGPVEMMMM C39H67N9O12S4 981.3793 NA PeJP NA NA +PJ114009 GSCNEMRW C39H59N13O13S2 981.3797 NA PeJP NA NA +PJ114010 PMMMFYY C47H63N7O10S3 981.3799 NA PeJP NA NA +PJ114011 GNDEHHHH C39H51N17O14 981.3802 NA PeJP NA NA +PJ114012 SSCQWWW C47H55N11O11S 981.3804 NA PeJP NA NA +PJ114013 GSSSNDEMR C35H59N13O18S 981.3822 NA PeJP NA NA +PJ114014 SSSSNEWW C43H55N11O16 981.3829 NA PeJP NA NA +PJ114015 GNNEMMMR C36H63N13O13S3 981.3831 NA PeJP NA NA +PJ114016 LMMMMYY C44H67N7O10S4 981.3833 NA PeJP NA NA +PJ114017 SCNNDHHR C36H55N17O14S 981.3836 NA PeJP NA NA +PJ114018 SNQMMWW C44H59N11O11S2 981.3837 NA PeJP NA NA +PJ114019 GGGGAPCMFW C44H59N11O11S2 981.3838 NA PeJP NA NA +PJ114020 SSSQQEMW C40H59N11O16S 981.3862 NA PeJP NA NA +PJ114021 GGGGGGPTEMY C40H59N11O16S 981.3863 NA PeJP NA NA +PJ114022 SPDEYWW C48H55N9O14 981.3869 NA PeJP NA NA +PJ114023 QQQMMMW C41H63N11O11S3 981.3871 NA PeJP NA NA +PJ114024 CDEHHRW C41H55N15O12S 981.3876 NA PeJP NA NA +PJ114025 PPCMYWW C49H59N9O9S2 981.3878 NA PeJP NA NA +PJ114026 SSSSNDKEE C36H59N11O21 981.3887 NA PeJP NA NA +PJ114027 GTEEEMMR C37H63N11O16S2 981.3896 NA PeJP NA NA +PJ114028 SSDDEHHR C37H55N15O17 981.3901 NA PeJP NA NA +PJ114029 SQQMYYY C45H59N9O14S 981.3902 NA PeJP NA NA +PJ114030 TTEEMWW C45H59N9O14S 981.3903 NA PeJP NA NA +PJ114031 GPEMMMMR C38H67N11O11S4 981.3905 NA PeJP NA NA +PJ114032 GNQQMMHH C38H59N15O12S2 981.3909 NA PeJP NA NA +PJ114033 GSCCDRRW C38H59N15O12S2 981.391 NA PeJP NA NA +PJ114034 PTMMMWW C46H63N9O9S3 981.3911 NA PeJP NA NA +PJ114035 GEMHHWW C46H55N13O10S 981.3916 NA PeJP NA NA +PJ114036 SSSSSTTYY C41H59N9O19 981.3927 NA PeJP NA NA +PJ114037 STTTEEEW C41H59N9O19 981.3928 NA PeJP NA NA +PJ114038 SSSSCNNQR C34H59N15O17S 981.3934 NA PeJP NA NA +PJ114039 GSSSCDDRR C34H59N15O17S 981.3935 NA PeJP NA NA +PJ114040 KEEEMMW C42H63N9O14S2 981.3936 NA PeJP NA NA +PJ114041 NNDDRYW C42H55N13O15 981.3941 NA PeJP NA NA +PJ114042 PDMFFYY C50H59N7O12S 981.3943 NA PeJP NA NA +PJ114043 GPVMMMMW C43H67N9O9S4 981.3945 NA PeJP NA NA +PJ114044 SCNMRWW C43H59N13O10S2 981.395 NA PeJP NA NA +PJ114045 NDHHHHW C43H51N17O11 981.3954 NA PeJP NA NA +PJ114046 GGDHHHHW C43H51N17O11 981.3955 NA PeJP NA NA +PJ114047 GCHFFWW C51H55N11O8S 981.3956 NA PeJP NA NA +PJ114048 STKEEEEM C38H63N9O19S 981.3961 NA PeJP NA NA +MJ099089 Aeruginoguanidines; Aeruginoguanidine 98A C39H67N9O14S3 981.396959 NA MeJP NA NA +PJ114049 SPKEEMMM C39H67N9O14S3 981.397 NA PeJP NA NA +PJ114050 SSSNDMRW C39H59N13O15S 981.3975 NA PeJP NA NA +PJ114051 VEMMFYY C47H63N7O12S2 981.3976 NA PeJP NA NA +PJ114052 GSSSSWWW C47H55N11O13 981.3981 NA PeJP NA NA +PJ114053 NNMMMRW C40H63N13O10S3 981.3983 NA PeJP NA NA +PJ114054 GGGGMMMRW C40H63N13O10S3 981.3984 NA PeJP NA NA +PJ114055 SPCQHHHH C40H55N17O11S 981.3988 NA PeJP NA NA +PJ114056 ACCKWWW C48H59N11O8S2 981.399 NA PeJP NA NA +MJ099090 Kanglemycin A C50H63NO19 981.399428 NA MeJP NA NA +PJ114057 GSSSSSTNQQ C35H59N13O20 981.3999 NA PeJP NA NA +PJ114058 SSSSSNEER C35H59N13O20 981.4 NA PeJP NA NA +PJ114059 SSNQEMMR C36H63N13O15S2 981.4008 NA PeJP NA NA +PJ114060 GGGGSTEMMR C36H63N13O15S2 981.4009 NA PeJP NA NA +PJ114061 NNNNNQQH C36H55N17O16 981.4013 NA PeJP NA NA +PJ114062 GGGGGGGGGGGAQH C36H55N17O16 981.4014 NA PeJP NA NA +PJ114063 GSSTQMWW C44H59N11O13S 981.4015 NA PeJP NA NA +PJ114064 PCCNKMMR C37H67N13O10S4 981.4017 NA PeJP NA NA +PJ114065 EEFWWW C52H55N9O11 981.4021 NA PeJP NA NA +PJ114066 GCNQMHHR C37H59N17O11S2 981.4022 NA PeJP NA NA +PJ114067 CKMMHFW C45H63N11O8S3 981.4024 NA PeJP NA NA +PJ114068 GSSSSDKEW C40H59N11O18 981.404 NA PeJP NA NA +PJ114069 GPQQQMMY C41H63N11O13S2 981.4048 NA PeJP NA NA +PJ114070 TEEMMRW C41H63N11O13S2 981.4049 NA PeJP NA NA +PJ114071 SSSNQHHW C41H55N15O14 981.4053 NA PeJP NA NA +PJ114072 GGGGGGSPNHW C41H55N15O14 981.4054 NA PeJP NA NA +PJ114073 APEMYWW C49H59N9O11S 981.4055 NA PeJP NA NA +PJ114074 GCCCERRR C34H63N17O11S3 981.4056 NA PeJP NA NA +PJ114075 PMMMMRW C42H67N11O8S4 981.4057 NA PeJP NA NA +PJ114076 ACCKHHHF C42H59N15O9S2 981.4062 NA PeJP NA NA +PJ114077 MHHWWW C50H55N13O7S 981.4069 NA PeJP NA NA +PJ114078 SSSSVQQEM C37H63N11O18S 981.4073 NA PeJP NA NA +PJ114079 STTEEEMR C37H63N11O18S 981.4074 NA PeJP NA NA +PJ114080 VQEEEYW C45H59N9O16 981.408 NA PeJP NA NA +PJ114081 GVEEMMMR C38H67N11O13S3 981.4082 NA PeJP NA NA +PJ114082 GGGGGATLMMM C38H67N11O13S3 981.4083 NA PeJP NA NA +PJ114083 GNNNNMRY C38H59N15O14S 981.4087 NA PeJP NA NA +PJ114084 SLEMMWW C46H63N9O11S2 981.4089 NA PeJP NA NA +PJ114085 STEHHWW C46H55N13O12 981.4093 NA PeJP NA NA +PJ114086 PNNEHWW C46H55N13O12 981.4094 NA PeJP NA NA +PJ114087 CCQMRRW C39H63N15O9S3 981.4096 NA PeJP NA NA +PJ114088 GSSSSSSNNR C34H59N15O19 981.4112 NA PeJP NA NA +PJ114089 SSTLEEMW C42H63N9O16S 981.4114 NA PeJP NA NA +PJ114090 PVDYYYY C50H59N7O14 981.412 NA PeJP NA NA +PJ114091 SSCNEMRR C35H63N15O14S2 981.4121 NA PeJP NA NA +PJ114092 AALEMMMW C43H67N9O11S3 981.4123 NA PeJP NA NA +PJ114093 GSSTCRWW C43H59N13O12S 981.4127 NA PeJP NA NA +PJ114094 GGGGGGGCKFW C43H59N13O12S 981.4128 NA PeJP NA NA +PJ114095 PMMFFFY C51H63N7O9S2 981.4129 NA PeJP NA NA +PJ114096 NQYWWW C51H55N11O10 981.4134 NA PeJP NA NA +PJ114097 SSSTTLEEE C38H63N9O21 981.4139 NA PeJP NA NA +PJ114098 MHHHHHF C44H55N17O8S 981.4141 NA PeJP NA NA +PJ114099 SSPTTLDMM C39H67N9O16S2 981.4147 NA PeJP NA NA +PJ114100 SVKEEEMM C39H67N9O16S2 981.4148 NA PeJP NA NA +PJ114101 GSSSSSERW C39H59N13O17 981.4152 NA PeJP NA NA +PJ114102 GGGGGGGGSKEY C39H59N13O17 981.4153 NA PeJP NA NA +PJ114103 TLEMYYY C47H63N7O14S 981.4154 NA PeJP NA NA +PJ114104 PVDKMMMM C40H71N9O11S4 981.4156 NA PeJP NA NA +PJ114105 GSSQMMRW C40H63N13O12S2 981.4161 NA PeJP NA NA +PJ114106 LMMMFFY C48H67N7O9S3 981.4163 NA PeJP NA NA +PJ114107 GTQEHHHH C40H55N17O13 981.4166 NA PeJP NA NA +PJ114108 SSCKWWW C48H59N11O10S 981.4167 NA PeJP NA NA +PJ114109 GGAQMFWW C48H59N11O10S 981.4168 NA PeJP NA NA +PJ114110 GSSSTQEMR C36H63N13O17S 981.4186 NA PeJP NA NA +PJ114111 SSSSDKWW C44H59N11O15 981.4192 NA PeJP NA NA +PJ114112 AEEERYW C44H59N11O15 981.4193 NA PeJP NA NA +PJ114113 EEMMMRR C37H67N13O12S3 981.4195 NA PeJP NA NA +PJ114114 SSNNMHHR C37H59N17O13S 981.4199 NA PeJP NA NA +PJ114115 GGGGSSMHHR C37H59N17O13S 981.42 NA PeJP NA NA +PJ114116 SNKMMWW C45H63N11O10S2 981.4201 NA PeJP NA NA +PJ114117 NNQHHFW C45H55N15O11 981.4206 NA PeJP NA NA +PJ114118 PPCFFWW C53H59N9O8S 981.4208 NA PeJP NA NA +PJ114119 SSSQKEMW C41H63N11O15S 981.4226 NA PeJP NA NA +PJ114120 GLEEYWW C49H59N9O13 981.4233 NA PeJP NA NA +PJ114121 VEMMMRW C42H67N11O10S3 981.4235 NA PeJP NA NA +PJ114122 SEMHHRW C42H59N15O11S 981.424 NA PeJP NA NA +PJ114123 PCLMFWW C50H63N9O8S2 981.4241 NA PeJP NA NA +PJ114124 GPNHWWW C50H55N13O9 981.4246 NA PeJP NA NA +PJ114125 SSSSTQKEE C37H63N11O20 981.4251 NA PeJP NA NA +PJ114126 SSLEEMMR C38H67N11O15S2 981.426 NA PeJP NA NA +PJ114127 SSNNNQRY C38H59N15O16 981.4264 NA PeJP NA NA +PJ114128 GSNDDRRY C38H59N15O16 981.4265 NA PeJP NA NA +PJ114129 PKEEMYW C46H63N9O13S 981.4266 NA PeJP NA NA +PJ114130 GALEEMFW C46H63N9O13S 981.4267 NA PeJP NA NA +PJ114131 SPVMMMMR C39H71N11O10S4 981.4269 NA PeJP NA NA +PJ114132 GSSCMRRW C39H63N15O11S2 981.4273 NA PeJP NA NA +PJ114133 GGGAPPCMHR C39H63N15O11S2 981.4274 NA PeJP NA NA +PJ114134 VVMMMWW C47H67N9O8S3 981.4275 NA PeJP NA NA +PJ114135 GSDHHHHR C39H55N19O12 981.4278 NA PeJP NA NA +PJ114136 GCQFRWW C47H59N13O9S 981.428 NA PeJP NA NA +PJ114137 SPTKEEEY C42H63N9O18 981.4291 NA PeJP NA NA +PJ114138 GVKEEEEY C42H63N9O18 981.4292 NA PeJP NA NA +PJ114139 GSSSSDMRR C35H63N15O16S 981.4298 NA PeJP NA NA +PJ114140 ATTLEMMW C43H67N9O13S2 981.43 NA PeJP NA NA +PJ114141 SSSSSRWW C43H59N13O14 981.4305 NA PeJP NA NA +PJ114142 PVMFYYY C51H63N7O11S 981.4307 NA PeJP NA NA +PJ114143 NMMHFFR C44H63N13O9S2 981.4313 NA PeJP NA NA +PJ114144 TCCKRWW C44H63N13O9S2 981.4314 NA PeJP NA NA +PJ114145 TQHHHHW C44H55N17O10 981.4318 NA PeJP NA NA +PJ114146 SSSSLLEEM C39H67N9O18S 981.4325 NA PeJP NA NA +PJ114147 ALKEEMMM C40H71N9O13S3 981.4334 NA PeJP NA NA +PJ114148 SSSTQMRW C40H63N13O14S 981.4338 NA PeJP NA NA +PJ114149 GGSSTTMRW C40H63N13O14S 981.4339 NA PeJP NA NA +PJ114150 VLMMYYY C48H67N7O11S2 981.434 NA PeJP NA NA +PJ114151 GNKEYWW C48H59N11O12 981.4345 NA PeJP NA NA +PJ114152 CQKMMRW C41H67N13O9S3 981.4347 NA PeJP NA NA +PJ114153 GVQMHHHH C41H59N17O10S 981.4352 NA PeJP NA NA +PJ114154 SSSSSDKER C36H63N13O19 981.4363 NA PeJP NA NA +PJ114155 GGSSSTTTER C36H63N13O19 981.4364 NA PeJP NA NA +PJ114156 SSNKEMMR C37H67N13O14S2 981.4372 NA PeJP NA NA +PJ114157 GSSSSQHHR C37H59N17O15 981.4377 NA PeJP NA NA +PJ114158 GSSTKMWW C45H63N11O12S 981.4379 NA PeJP NA NA +PJ114159 LEYWWW C53H59N9O10 981.4385 NA PeJP NA NA +PJ114160 DMMHHRR C38H63N17O10S2 981.4386 NA PeJP NA NA +PJ114161 PCHHFRW C46H59N15O8S 981.4392 NA PeJP NA NA +PJ114162 GSSSTTKEW C41H63N11O17 981.4404 NA PeJP NA NA +PJ114163 GTTQKMMW C42H67N11O12S2 981.4412 NA PeJP NA NA +PJ114164 GSDKKMMW C42H67N11O12S2 981.4413 NA PeJP NA NA +PJ114165 GSPNEHRW C42H59N15O13 981.4417 NA PeJP NA NA +PJ114166 GGGGGGGGALHW C42H59N15O13 981.4418 NA PeJP NA NA +PJ114167 SPLMYWW C50H63N9O10S 981.4419 NA PeJP NA NA +PJ114168 CLMHHRW C43H63N15O8S2 981.4426 NA PeJP NA NA +PJ114169 GSSSKKEEM C38H67N11O17S 981.4437 NA PeJP NA NA +PJ114170 GSSTDKKEM C38H67N11O17S 981.4438 NA PeJP NA NA +PJ114171 VKEEEYW C46H63N9O15 981.4444 NA PeJP NA NA +PJ114172 ATLEMMMR C39H71N11O12S3 981.4446 NA PeJP NA NA +PJ114173 SSSTCRRW C39H63N15O13S 981.4451 NA PeJP NA NA +PJ114174 AAPLMMYW C47H67N9O10S2 981.4453 NA PeJP NA NA +PJ114175 GSQRYWW C47H59N13O11 981.4457 NA PeJP NA NA +PJ114176 GGPDKHWW C47H59N13O11 981.4458 NA PeJP NA NA +PJ114177 PMFFFFF C55H63N7O8S 981.4459 NA PeJP NA NA +PJ114178 CCKMRRW C40H67N15O8S3 981.446 NA PeJP NA NA +PJ114179 QMHHHHR C40H59N19O9S 981.4464 NA PeJP NA NA +PJ114180 SSSSSSERR C35H63N15O18 981.4476 NA PeJP NA NA +PJ114181 TTTTLEMW C43H67N9O15S 981.4478 NA PeJP NA NA +PJ114182 PTLYYYY C51H63N7O13 981.4484 NA PeJP NA NA +PJ114183 GGSSTMMRR C36H67N15O13S2 981.4485 NA PeJP NA NA +PJ114184 GTLLMMMW C44H71N9O10S3 981.4486 NA PeJP NA NA +PJ114185 GGPVLMMMF C44H71N9O10S3 981.4487 NA PeJP NA NA +PJ114186 GNNNDHRR C36H59N19O14 981.4489 NA PeJP NA NA +PJ114187 GGGGGNDHRR C36H59N19O14 981.449 NA PeJP NA NA +PJ114188 AQQMRYW C44H63N13O11S 981.4491 NA PeJP NA NA +PJ114189 LMMFFFF C52H67N7O8S2 981.4493 NA PeJP NA NA +PJ114190 NKYWWW C52H59N11O9 981.4498 NA PeJP NA NA +PJ114191 STTTTTLEE C39H67N9O20 981.4503 NA PeJP NA NA +PJ114192 TTLKEEMM C40H71N9O15S2 981.4511 NA PeJP NA NA +PJ114193 GSSSTTTRW C40H63N13O16 981.4516 NA PeJP NA NA +PJ114194 GGGGGGGGAPPLE C40H63N13O16 981.4517 NA PeJP NA NA +PJ114195 PTLKMMMM C41H75N9O10S4 981.452 NA PeJP NA NA +PJ114196 GSSKMMRW C41H67N13O11S2 981.4525 NA PeJP NA NA +PJ114197 NNQQHRW C41H59N17O12 981.4529 NA PeJP NA NA +PJ114198 GGNQQHRW C41H59N17O12 981.453 NA PeJP NA NA +PJ114199 GQKMFWW C49H63N11O9S 981.4531 NA PeJP NA NA +PJ114200 GSSSTKEMR C37H67N13O16S 981.455 NA PeJP NA NA +PJ114201 SSSTTKWW C45H63N11O14 981.4556 NA PeJP NA NA +PJ114202 GGPPPDKEW C45H63N11O14 981.4557 NA PeJP NA NA +PJ114203 GTQKMMMR C38H71N13O11S3 981.4559 NA PeJP NA NA +PJ114204 CNDRRRY C38H63N17O12S 981.4563 NA PeJP NA NA +PJ114205 GGGGGGPCKHR C38H63N17O12S 981.4564 NA PeJP NA NA +PJ114206 TCKKMWW C46H67N11O9S2 981.4565 NA PeJP NA NA +PJ114207 SPNHRWW C46H59N15O10 981.457 NA PeJP NA NA +PJ114208 CHHHHRR C39H59N21O8S 981.4577 NA PeJP NA NA +MJ099091 Cupolamide A C42H67N11O14S 981.458966 NA MeJP NA NA +PJ114209 SSSKKEMW C42H67N11O14S 981.459 NA PeJP NA NA +PJ114210 SVLEYWW C50H63N9O12 981.4596 NA PeJP NA NA +PJ114211 VVTEYWW C50H63N9O12 981.4597 NA PeJP NA NA +PJ114212 QKKMMMW C43H71N11O9S3 981.4599 NA PeJP NA NA +PJ114213 GNMRRYW C43H63N15O10S 981.4603 NA PeJP NA NA +PJ114214 GGGMRRYW C43H63N15O10S 981.4604 NA PeJP NA NA +PJ114215 GLHHFWW C51H59N13O8 981.461 NA PeJP NA NA +PJ114216 SSSSTKKEE C38H67N11O19 981.4615 NA PeJP NA NA +PJ114217 TTTLEMMR C39H71N11O14S2 981.4624 NA PeJP NA NA +PJ114218 GSSQERRY C39H63N15O15 981.4628 NA PeJP NA NA +PJ114219 GGGSTERRY C39H63N15O15 981.4629 NA PeJP NA NA +PJ114220 LLQEMYW C47H67N9O12S 981.463 NA PeJP NA NA +PJ114221 AVLMMMMR C40H75N11O9S4 981.4632 NA PeJP NA NA +PJ114222 GLLMMMMR C40H75N11O9S4 981.4633 NA PeJP NA NA +PJ114223 PVFFFYY C55H63N7O10 981.4637 NA PeJP NA NA +PJ114224 GTTHHHHR C40H59N19O11 981.4642 NA PeJP NA NA +PJ114225 GCKFRWW C48H63N13O8S 981.4644 NA PeJP NA NA +PJ114226 ATLKEEEY C43H67N9O17 981.4655 NA PeJP NA NA +PJ114227 GSSSTTMRR C36H67N15O15S 981.4662 NA PeJP NA NA +PJ114228 STTLLMMW C44H71N9O12S2 981.4664 NA PeJP NA NA +PJ114229 SNKERYW C44H63N13O13 981.4669 NA PeJP NA NA +PJ114230 VLMFFYY C52H67N7O10S 981.467 NA PeJP NA NA +PJ114231 GTCKMMRR C37H71N15O10S3 981.4671 NA PeJP NA NA +PJ114232 LKMMHHW C45H67N13O8S2 981.4677 NA PeJP NA NA +PJ114233 TKHHHHW C45H59N17O9 981.4682 NA PeJP NA NA +PJ114234 SSTTTLLEM C40H71N9O17S 981.4689 NA PeJP NA NA +PJ114235 SLLKEMMM C41H75N9O12S3 981.4698 NA PeJP NA NA +PJ114236 SSSTKMRW C41H67N13O13S 981.4702 NA PeJP NA NA +PJ114237 GGAAKEMRY C41H67N13O13S 981.4703 NA PeJP NA NA +PJ114238 GDKKYWW C49H63N11O11 981.4709 NA PeJP NA NA +PJ114239 CKKMMRW C42H71N13O8S3 981.4711 NA PeJP NA NA +PJ114240 PCQHRRW C42H63N17O9S 981.4716 NA PeJP NA NA +PJ114241 SSSSTTKER C37H67N13O18 981.4727 NA PeJP NA NA +PJ114242 SSDKKMMR C38H71N13O13S2 981.4736 NA PeJP NA NA +PJ114243 QQEEHRR C38H63N17O14 981.4741 NA PeJP NA NA +PJ114244 VVEMRYW C46H67N11O11S 981.4743 NA PeJP NA NA +PJ114245 APLFYWW C54H63N9O9 981.4749 NA PeJP NA NA +PJ114246 CNMFRRR C39H67N17O9S2 981.475 NA PeJP NA NA +PJ114247 ASSTTTTKW C42H67N11O16 981.4767 NA PeJP NA NA +PJ114248 SSSSSTLKW C42H67N11O16 981.4768 NA PeJP NA NA +PJ114249 GTTKKMMW C43H71N11O11S2 981.4776 NA PeJP NA NA +PJ114250 GGGAALKMMF C43H71N11O11S2 981.4777 NA PeJP NA NA +PJ114251 SSQRRYW C43H63N15O12 981.4781 NA PeJP NA NA +PJ114252 ALLMYWW C51H67N9O9S 981.4783 NA PeJP NA NA +MJ099092 Liposidomycin; Liposidomycin K-I, Desulfo C46H71N5O18 981.47941 NA MeJP NA NA +PJ114253 GSTTTKKEM C39H71N11O16S 981.4801 NA PeJP NA NA +PJ114254 GTTLLEYW C47H67N9O14 981.4808 NA PeJP NA NA +PJ114255 STLLMMMR C40H75N11O11S3 981.481 NA PeJP NA NA +PJ114256 NDKMRRY C40H67N15O12S 981.4815 NA PeJP NA NA +PJ114257 AALLMMFW C48H71N9O9S2 981.4817 NA PeJP NA NA +PJ114258 GSKRYWW C48H63N13O10 981.4821 NA PeJP NA NA +PJ114259 KMHHHHR C41H63N19O8S 981.4828 NA PeJP NA NA +PJ114260 SSSSTTTRR C36H67N15O17 981.484 NA PeJP NA NA +PJ114261 SVLLQEMY C44H71N9O14S 981.4841 NA PeJP NA NA +PJ114262 GLLKEEMY C44H71N9O14S 981.4842 NA PeJP NA NA +PJ114263 VVLYYYY C52H67N7O12 981.4848 NA PeJP NA NA +PJ114264 PVVKMMMF C45H75N9O9S3 981.485 NA PeJP NA NA +PJ114265 NDEHRRR C37H63N19O13 981.4853 NA PeJP NA NA +PJ114266 AQKMRYW C45H67N13O10S 981.4855 NA PeJP NA NA +PJ114267 AKHFFFW C53H63N11O8 981.4861 NA PeJP NA NA +PJ114268 PPLHFWW C53H63N11O8 981.4862 NA PeJP NA NA +PJ114269 SSSTLLLMM C41H75N9O14S2 981.4875 NA PeJP NA NA +PJ114270 GSDKKERY C41H67N13O15 981.488 NA PeJP NA NA +PJ114271 VVLKMMMM C42H79N9O9S4 981.4884 NA PeJP NA NA +PJ114272 GPCKKMRY C42H71N13O10S2 981.4889 NA PeJP NA NA +PJ114273 AQEHRRW C42H63N17O11 981.4893 NA PeJP NA NA +PJ114274 GAAEHRRW C42H63N17O11 981.4894 NA PeJP NA NA +PJ114275 GKKMFWW C50H67N11O8S 981.4895 NA PeJP NA NA +PJ114276 SSSSSLKMR C38H71N13O15S 981.4914 NA PeJP NA NA +PJ114277 TQKKEYW C46H67N11O13 981.492 NA PeJP NA NA +PJ114278 GTKKMMMR C39H75N13O10S3 981.4922 NA PeJP NA NA +PJ114279 AACCCKKKK C39H75N13O10S3 981.4923 NA PeJP NA NA +PJ114280 SNMRRRY C39H67N17O11S 981.4927 NA PeJP NA NA +PJ114281 VLMMFRW C47H71N11O8S2 981.4929 NA PeJP NA NA +PJ114282 GLQHRWW C47H63N15O9 981.4934 NA PeJP NA NA +PJ114283 STTTKKMW C43H71N11O13S 981.4954 NA PeJP NA NA +PJ114284 TTLLYWW C51H67N9O11 981.496 NA PeJP NA NA +PJ114285 GALLEFFW C51H67N9O11 981.4961 NA PeJP NA NA +PJ114286 KKKMMMW C44H75N11O8S3 981.4963 NA PeJP NA NA +PJ114287 ACKRRYW C44H67N15O9S 981.4967 NA PeJP NA NA +PJ114288 SSTTTTKKE C39H71N11O18 981.4979 NA PeJP NA NA +PJ114289 STKKKEMM C40H75N11O13S2 981.4988 NA PeJP NA NA +PJ114290 GSSKERRY C40H67N15O14 981.4992 NA PeJP NA NA +PJ114291 GAAPPEERR C40H67N15O14 981.4993 NA PeJP NA NA +PJ114292 LLKEMYW C48H71N9O11S 981.4994 NA PeJP NA NA +PJ114293 VLFFFFY C56H67N7O9 981.5001 NA PeJP NA NA +PJ114294 GDHRRRW C41H63N19O10 981.5006 NA PeJP NA NA +PJ114295 STLLKEEY C44H71N9O16 981.5019 NA PeJP NA NA +PJ114296 SPLLKMMY C45H75N9O11S2 981.5028 NA PeJP NA NA +PJ114297 SDKKRYW C45H67N13O12 981.5032 NA PeJP NA NA +PJ114298 GATTKRYW C45H67N13O12 981.5033 NA PeJP NA NA +PJ114299 GPTCHRRR C38H67N19O10S 981.504 NA PeJP NA NA +PJ114300 AAHRRWW C46H63N17O8 981.5046 NA PeJP NA NA +PJ114301 TTTTTTLLM C41H75N9O16S 981.5053 NA PeJP NA NA +PJ114302 QKKEMRY C42H71N13O12S 981.5066 NA PeJP NA NA +PJ114303 GGGGGALLLMH C42H71N13O12S 981.5067 NA PeJP NA NA +PJ114304 ATKKYWW C50H67N11O10 981.5073 NA PeJP NA NA +PJ114305 PCKHRRW C43H67N17O8S 981.508 NA PeJP NA NA +PJ114306 SSTTTTTKR C38H71N13O17 981.5091 NA PeJP NA NA +PJ114307 STTKKMMR C39H75N13O12S2 981.51 NA PeJP NA NA +PJ114308 GSSTRRRY C39H67N17O13 981.5105 NA PeJP NA NA +PJ114309 TLLMRYW C47H71N11O10S 981.5106 NA PeJP NA NA +PJ114310 GGLKKMYW C47H71N11O10S 981.5107 NA PeJP NA NA +PJ114311 ALLFFWW C55H67N9O8 981.5113 NA PeJP NA NA +PJ114312 STTLLERY C43H71N11O15 981.5131 NA PeJP NA NA +PJ114313 GTKKKEEY C43H71N11O15 981.5132 NA PeJP NA NA +PJ114314 GVLLMMRY C44H75N11O10S2 981.514 NA PeJP NA NA +PJ114315 SSKRRYW C44H67N15O11 981.5145 NA PeJP NA NA +PJ114316 SSSTTLKKM C40H75N11O15S 981.5165 NA PeJP NA NA +PJ114317 SSTLLLYW C48H71N9O13 981.5172 NA PeJP NA NA +PJ114318 SVKKKMMM C41H79N11O10S3 981.5174 NA PeJP NA NA +PJ114319 TQKMRRY C41H71N15O11S 981.5179 NA PeJP NA NA +PJ114320 PPLQRWW C49H67N13O9 981.5185 NA PeJP NA NA +PJ114321 SVLLKEMY C45H75N9O13S 981.5205 NA PeJP NA NA +PJ114322 PPPVVTLEM C45H75N9O13S 981.5206 NA PeJP NA NA +PJ114323 TQEHRRR C38H67N19O12 981.5217 NA PeJP NA NA +PJ114324 AKKMRYW C46H71N13O9S 981.5219 NA PeJP NA NA +PJ114325 GTTKKERY C42H71N13O14 981.5244 NA PeJP NA NA +PJ114326 LLMMRRY C43H75N13O9S2 981.5253 NA PeJP NA NA +PJ114327 PPDRRRW C43H67N17O10 981.5257 NA PeJP NA NA +PJ114328 SSSSCKKKK C39H75N13O14S 981.5277 NA PeJP NA NA +PJ114329 TKKKEYW C47H71N11O12 981.5284 NA PeJP NA NA +PJ114330 TCKRRRY C40H71N17O10S 981.5291 NA PeJP NA NA +PJ114331 GLKHRWW C48H67N15O8 981.5298 NA PeJP NA NA +PJ114332 SSLLLMRY C44H75N11O12S 981.5318 NA PeJP NA NA +PJ114333 PLLKYYW C52H71N9O10 981.5324 NA PeJP NA NA +PJ114334 SDHRRRR C37H67N21O11 981.5329 NA PeJP NA NA +PJ114335 PKKMHRW C45H71N15O8S 981.5331 NA PeJP NA NA +PJ114336 TTTTTTTKK C40H75N11O17 981.5343 NA PeJP NA NA +3569 NA IQSEPKAIP 981.535 ACE inhibitor Inhouse_peptide NA peptide +PJ114337 GTTTKRRY C41H71N15O13 981.5356 NA PeJP NA NA +PJ114338 GGGGGGAAPLLR C41H71N15O13 981.5357 NA PeJP NA NA +PJ114339 APLLKMFY C49H75N9O10S 981.5358 NA PeJP NA NA +PJ114340 ATHRRRW C42H67N19O9 981.537 NA PeJP NA NA +PJ114341 SSSSLLLLY C45H75N9O15 981.5383 NA PeJP NA NA +PJ114342 ALLLKMMY C46H79N9O10S2 981.5392 NA PeJP NA NA +PJ114343 TTKKRYW C46H71N13O11 981.5396 NA PeJP NA NA +PJ114344 GPPLKERW C46H71N13O11 981.5397 NA PeJP NA NA +PJ114345 VQMHRRR C39H71N19O9S 981.5403 NA PeJP NA NA +PJ114346 KKKEMRY C43H75N13O11S 981.543 NA PeJP NA NA +PJ114347 GPPVLKWW C51H71N11O9 981.5437 NA PeJP NA NA +MJ099093 Antibiotic LL-BM 782?1 C39H75N13O16 981.545473 NA MeJP NA NA +MJ099094 Antibiotic LL-BM 782?1 C39H75N13O16 981.545473 NA MeJP NA NA +HMDB06969 CDP-DG(16:0/18:0) C46H85N3O15P2 981.545593 NA HMDB2010 NA NA +HMDB06977 CDP-DG(18:0/16:0) C46H85N3O15P2 981.545593 NA HMDB2010 NA NA +PJ114348 APPTERRR C40H71N17O12 981.5469 NA PeJP NA NA +PJ114349 VKKKMYW C48H75N11O9S 981.547 NA PeJP NA NA +PJ114350 SSLKKKEY C44H75N11O14 981.5495 NA PeJP NA NA +PJ114351 AAPPLKKEE C44H75N11O14 981.5496 NA PeJP NA NA +PJ114352 GLKKKMMF C45H79N11O9S2 981.5504 NA PeJP NA NA +PJ114353 GPPTLRRW C45H71N15O10 981.5509 NA PeJP NA NA +PJ114354 AMHRRRR C38H71N21O8S 981.5516 NA PeJP NA NA +PJ114355 SPVLLKYY C49H75N9O12 981.5536 NA PeJP NA NA +PJ114356 TKKMRRY C42H75N15O10S 981.5542 NA PeJP NA NA +PJ114357 PPPTKMRR C42H75N15O10S 981.5543 NA PeJP NA NA +PJ114358 PPLKRWW C50H71N13O8 981.5549 NA PeJP NA NA +PJ114359 TTLLLKMY C46H79N9O12S 981.5569 NA PeJP NA NA +PJ114360 TKEHRRR C39H71N19O11 981.5581 NA PeJP NA NA +PJ114361 LLMFFRR C47H75N13O8S 981.5583 NA PeJP NA NA +PJ114362 SSTLKKRY C43H75N13O13 981.5608 NA PeJP NA NA +PJ114363 SLKHRRW C44H71N17O9 981.5621 NA PeJP NA NA +PJ114364 STLLLLHW C48H75N11O11 981.5648 NA PeJP NA NA +PJ114365 GPPLMRRR C41H75N17O9S 981.5655 NA PeJP NA NA +PJ114366 ATLKKKMY C45H79N11O11S 981.5682 NA PeJP NA NA +PJ114367 LLLKFYW C53H75N9O9 981.5688 NA PeJP NA NA +PJ114368 TTHRRRR C38H71N21O10 981.5693 NA PeJP NA NA +PJ114369 SPPLKERR C42H75N15O12 981.572 NA PeJP NA NA +PJ114370 PPLLLLMW C50H79N9O9S 981.5722 NA PeJP NA NA +PJ114371 GPVLLLLEE C46H79N9O14 981.5747 NA PeJP NA NA +PJ114372 SPPVLKRW C47H75N13O10 981.576 NA PeJP NA NA +PJ114373 VKMHRRR C40H75N19O8S 981.5767 NA PeJP NA NA +PJ114374 GCKKKKKY C44H79N13O10S 981.5794 NA PeJP NA NA +PJ114375 VKKKFFW C52H75N11O8 981.58 NA PeJP NA NA +PJ114376 SPPTLRRR C41H75N17O11 981.5832 NA PeJP NA NA +PJ114377 GPVLERRR C41H75N17O11 981.5833 NA PeJP NA NA +PJ114378 TTTLKKKY C45H79N11O13 981.5859 NA PeJP NA NA +PJ114379 AAPLLRRW C46H75N15O9 981.5873 NA PeJP NA NA +PJ114380 GLLLLKYY C50H79N9O11 981.5899 NA PeJP NA NA +PJ114381 PVLLLLEW C50H79N9O11 981.59 NA PeJP NA NA +PJ114382 PPVVKMRR C43H79N15O9S 981.5906 NA PeJP NA NA +PJ114383 SPPVLLLLM C47H83N9O11S 981.5933 NA PeJP NA NA +PJ114384 PLERRRR C40H75N19O10 981.5945 NA PeJP NA NA +PJ114385 PVLLQKER C44H79N13O12 981.5972 NA PeJP NA NA +PJ114386 PVLRRRW C45H75N17O8 981.5985 NA PeJP NA NA +PJ114387 PPTLLKKW C49H79N11O10 981.6012 NA PeJP NA NA +PJ114388 GPPVLLKKM C46H83N11O10S 981.6046 NA PeJP NA NA +PJ114389 PNKRRRR C39H75N21O9 981.6057 NA PeJP NA NA +PJ114390 APLLKERR C43H79N15O11 981.6084 NA PeJP NA NA +PJ114391 APTLLLLLE C47H83N9O13 981.6111 NA PeJP NA NA +PJ114392 GPLLLKRW C48H79N13O9 981.6124 NA PeJP NA NA +PJ114393 PPLLKKMR C45H83N13O9S 981.6158 NA PeJP NA NA +MJ099095 Prorocentrolide; 9,54-Dihydro C56H87NO13 981.617741 NA MeJP NA NA +PJ114394 APTLLRRR C42H79N17O10 981.6196 NA PeJP NA NA +PJ114395 AAPLLLKKE C46H83N11O12 981.6223 NA PeJP NA NA +PJ114396 KKKKKHW C47H79N15O8 981.6236 NA PeJP NA NA +PJ114397 GPPLLLLLF C51H83N9O10 981.6263 NA PeJP NA NA +PJ114398 GPLLLLLLM C48H87N9O10S 981.6297 NA PeJP NA NA +PJ114399 AAPKKRRR C41H79N19O9 981.6309 NA PeJP NA NA +PJ114400 PVLLKKER C45H83N13O11 981.6335 NA PeJP NA NA +PJ114401 PLLLDKKR C45H83N13O11 981.6336 NA PeJP NA NA +PJ114402 PVVLLKKW C50H83N11O9 981.6376 NA PeJP NA NA +PJ114403 SPLLLKRR C44H83N15O10 981.6448 NA PeJP NA NA +PJ114404 GVLLLLLLE C48H87N9O12 981.6475 NA PeJP NA NA +PJ114405 GVLLLRRR C43H83N17O9 981.656 NA PeJP NA NA +PJ114406 LLLLLLER C47H87N11O11 981.6587 NA PeJP NA NA +PJ114407 VLLLLLLW C52H87N9O9 981.6627 NA PeJP NA NA +PJ114408 LLLRRRR C42H83N19O8 981.6673 NA PeJP NA NA +PJ114409 VLLLLQKR C46H87N13O10 981.6699 NA PeJP NA NA +PJ114410 ALLLLKRR C45H87N15O9 981.6812 NA PeJP NA NA +PJ114411 ATLLLLLLL C49H91N9O11 981.6838 NA PeJP NA NA +PJ114412 SVVILLLLL C49H91N9O11 981.6839 NA PeJP NA NA +PJ114413 AALLLLLKK C48H91N11O10 981.6951 NA PeJP NA NA +PJ114414 VLLLLKKR C47H91N13O9 981.7063 NA PeJP NA NA +MJ099096 Sucrosofate C12H22O35S8 981.770727 NA MeJP NA NA +PJ114415 CCCCCCCNE C30H50N10O13S7 982.1604 NA PeJP NA NA +PJ114416 GCCCCCCCW C34H50N10O10S7 982.1757 NA PeJP NA NA +PJ114417 GSSCCCCCCD C30H50N10O15S6 982.1782 NA PeJP NA NA +PJ114418 SCCCCCCQM C31H54N10O12S7 982.1968 NA PeJP NA NA +PJ114419 SCCCCCCCR C30H54N12O11S7 982.208 NA PeJP NA NA +PJ114420 GCCCCCNDY C34H50N10O14S5 982.2112 NA PeJP NA NA +PJ114421 GSSSCCCCCM C31H54N10O14S6 982.2146 NA PeJP NA NA +PJ114422 GCCCCCNMF C35H54N10O11S6 982.2298 NA PeJP NA NA +PJ114423 SSSSTCCCCC C31H54N10O16S5 982.2323 NA PeJP NA NA +PJ114424 SCCCCCCKM C32H58N10O11S7 982.2332 NA PeJP NA NA +PJ114425 CCCDDMMY C36H54N8O14S5 982.2363 NA PeJP NA NA +PJ114426 GCCCCNDEH C33H50N12O15S4 982.2402 NA PeJP NA NA +PJ114427 CCCMMMMM C34H62N8O9S8 982.2406 NA PeJP NA NA +PJ114428 GCNDDDDDD C33H46N10O23S 982.2458 NA PeJP NA NA +PJ114429 GGGCDDDDDD C33H46N10O23S 982.2459 NA PeJP NA NA +PJ114430 GSCCCCNMY C35H54N10O13S5 982.2476 NA PeJP NA NA +PJ114431 CCCDDDFY C39H50N8O16S3 982.2507 NA PeJP NA NA +PJ114432 CCCDMMMF C37H58N8O11S6 982.255 NA PeJP NA NA +PJ114433 CCCCNDHW C37H50N12O12S4 982.2554 NA PeJP NA NA +PJ114434 GGCCCCDHW C37H50N12O12S4 982.2555 NA PeJP NA NA +PJ114435 SSCCCNDDH C33H50N12O17S3 982.2579 NA PeJP NA NA +PJ114436 GGSSCCCDDH C33H50N12O17S3 982.258 NA PeJP NA NA +PJ114437 SPCCCCCQH C34H54N12O12S5 982.2588 NA PeJP NA NA +PJ114438 SPCCNDDDD C34H50N10O20S2 982.2645 NA PeJP NA NA +PJ114439 SSSCCCCQY C35H54N10O15S4 982.2653 NA PeJP NA NA +PJ114440 GGPPCCCCDE C35H54N10O15S4 982.2654 NA PeJP NA NA +PJ114441 ACCCCCCKF C36H58N10O10S6 982.2662 NA PeJP NA NA +PJ114442 SCCDDDYY C39H50N8O18S2 982.2685 NA PeJP NA NA +PJ114443 PCCCCEYY C40H54N8O13S4 982.2694 NA PeJP NA NA +PJ114444 DDDDDEEM C35H50N8O23S 982.271 NA PeJP NA NA +PJ114445 SCCDMMMY C37H58N8O13S5 982.2727 NA PeJP NA NA +PJ114446 CCCCMHHF C38H54N12O9S5 982.2741 NA PeJP NA NA +MJ099097 Rubradirin; N-Deoxy C48H46N4O19 982.275625 NA MeJP NA NA +PJ114447 GCCNNNDDE C33H50N12O19S2 982.2757 NA PeJP NA NA +PJ114448 GSCCCNEMH C34H54N12O14S4 982.2766 NA PeJP NA NA +PJ114449 CCDDDEHF C38H50N10O17S2 982.2797 NA PeJP NA NA +PJ114450 GPPCCCCDW C39H54N10O12S4 982.2806 NA PeJP NA NA +PJ114451 GSNDDDDDM C34H50N10O22S 982.2822 NA PeJP NA NA +PJ114452 GSSSSSCCCY C35H54N10O17S3 982.2831 NA PeJP NA NA +PJ114453 GTCCCCCKY C36H58N10O12S5 982.284 NA PeJP NA NA +PJ114454 CCCDEHHH C36H50N14O13S3 982.2844 NA PeJP NA NA +PJ114455 GCCDEMYY C40H54N8O15S3 982.2871 NA PeJP NA NA +PJ114456 GSCCCCDHR C33H54N14O13S4 982.2878 NA PeJP NA NA +PJ114457 DDDDDDHH C36H46N12O21 982.2901 NA PeJP NA NA +PJ114458 CCNNNDDW C37H50N12O16S2 982.291 NA PeJP NA NA +PJ114459 ACCMMMMY C38H62N8O10S6 982.2914 NA PeJP NA NA +PJ114460 SCCCNMHW C38H54N12O11S4 982.2918 NA PeJP NA NA +PJ114461 SSCNNNDDD C33H50N12O21S 982.2934 NA PeJP NA NA +PJ114462 GGSSCNNDDD C33H50N12O21S 982.2935 NA PeJP NA NA +PJ114463 GPCCCDDDR C34H54N12O16S3 982.2943 NA PeJP NA NA +PJ114464 GGGGGGSPCCCE C34H54N12O16S3 982.2944 NA PeJP NA NA +PJ114465 CCNNMMMH C35H58N12O11S5 982.2952 NA PeJP NA NA +PJ114466 SCNDDDEW C38H50N10O19S 982.2975 NA PeJP NA NA +PJ114467 SCCCNQYY C39H54N10O14S3 982.2983 NA PeJP NA NA +PJ114468 PCCNDDMW C39H54N10O14S3 982.2984 NA PeJP NA NA +PJ114469 SSSNDDDDE C34H50N10O24 982.3 NA PeJP NA NA +PJ114470 NNDDDEMM C35H54N10O19S2 982.3009 NA PeJP NA NA +PJ114471 SSSCCCCKY C36H58N10O14S4 982.3017 NA PeJP NA NA +PJ114472 CCDMYYW C44H54N8O12S3 982.3024 NA PeJP NA NA +PJ114473 PCCMMMMH C37H62N10O9S6 982.3026 NA PeJP NA NA +PJ114474 PDDDDDEY C39H50N8O22 982.304 NA PeJP NA NA +PJ114475 SSCDDMYY C40H54N8O17S2 982.3049 NA PeJP NA NA +PJ114476 GCCNNNNNM C33H54N14O15S3 982.3056 NA PeJP NA NA +PJ114477 PTCCCMYY C41H58N8O12S4 982.3057 NA PeJP NA NA +PJ114478 CCCCQMHR C34H58N14O10S5 982.3064 NA PeJP NA NA +PJ114479 SDDEEEEM C36H54N8O22S 982.3074 NA PeJP NA NA +PJ114480 PDDDEMMM C37H58N8O17S3 982.3083 NA PeJP NA NA +PJ114481 SSCMMMMY C38H62N8O12S5 982.3091 NA PeJP NA NA +PJ114482 GSSTCCCHW C38H54N12O13S3 982.3096 NA PeJP NA NA +PJ114483 CNDDDDMR C34H54N12O18S2 982.3121 NA PeJP NA NA +PJ114484 GSCDDDWW C42H50N10O16S 982.3127 NA PeJP NA NA +PJ114485 ASSCCNMMH C35H58N12O13S4 982.3129 NA PeJP NA NA +PJ114486 SPPCCCCDR C35H58N12O13S4 982.313 NA PeJP NA NA +PJ114487 GPCCCEWW C43H54N10O11S3 982.3136 NA PeJP NA NA +PJ114488 GSSSDDDDW C38H50N10O21 982.3152 NA PeJP NA NA +PJ114489 GGNDDDDEF C38H50N10O21 982.3153 NA PeJP NA NA +PJ114490 GNDDDMMW C39H54N10O16S2 982.3161 NA PeJP NA NA +PJ114491 GSPPCCCMW C40H58N10O11S4 982.317 NA PeJP NA NA +PJ114492 CCCCCHRR C33H58N16O9S5 982.3177 NA PeJP NA NA +PJ114493 GSSNDDEEM C35H54N10O21S 982.3186 NA PeJP NA NA +PJ114494 GSPCNDEMM C36H58N10O16S3 982.3195 NA PeJP NA NA +PJ114495 CNNDDEHH C36H50N14O17S 982.32 NA PeJP NA NA +PJ114496 GPCCDYYY C44H54N8O14S2 982.3201 NA PeJP NA NA +PJ114497 GDMMMMMH C37H62N10O11S5 982.3204 NA PeJP NA NA +PJ114498 SCCEMHHH C37H54N14O12S3 982.3208 NA PeJP NA NA +PJ114499 CCMMFYW C45H58N8O9S4 982.321 NA PeJP NA NA +PJ114500 PDDDDEMF C40H54N8O19S 982.3226 NA PeJP NA NA +PJ114501 GSCCNNDDR C33H54N14O17S2 982.3233 NA PeJP NA NA +PJ114502 GGGGGGGGGGSTCC C33H54N14O17S2 982.3234 NA PeJP NA NA +PJ114503 GSCEMMYY C41H58N8O14S3 982.3235 NA PeJP NA NA +PJ114504 GSSCCCMHR C34H58N14O12S4 982.3242 NA PeJP NA NA +PJ114505 ACCMMMFF C42H62N8O9S5 982.3244 NA PeJP NA NA +PJ114506 GCCCQHFW C42H54N12O10S3 982.3248 NA PeJP NA NA +PJ114507 GGACCCHFW C42H54N12O10S3 982.3249 NA PeJP NA NA +PJ114508 GEEEEEMM C37H58N8O19S2 982.326 NA PeJP NA NA +PJ114509 NNNNDDDY C37H50N12O20 982.3265 NA PeJP NA NA +PJ114510 SSSSSCCHW C38H54N12O15S2 982.3273 NA PeJP NA NA +PJ114511 GCCDDERW C38H54N12O15S2 982.3274 NA PeJP NA NA +PJ114512 TCCCCKHW C39H58N12O10S4 982.3282 NA PeJP NA NA +PJ114513 PCCCWWW C47H54N10O8S3 982.3289 NA PeJP NA NA +PJ114514 ASSCDDDDR C34H54N12O20S 982.3298 NA PeJP NA NA +PJ114515 GSSCDDDER C34H54N12O20S 982.3299 NA PeJP NA NA +PJ114516 GNDDDDFW C42H50N10O18 982.3305 NA PeJP NA NA +PJ114517 GSPCCDDMR C35H58N12O15S3 982.3307 NA PeJP NA NA +PJ114518 CNDEMWW C43H54N10O13S2 982.3314 NA PeJP NA NA +PJ114519 APPCCCCMR C36H62N12O10S5 982.3316 NA PeJP NA NA +MJ099098 Premcoryoside C45H58O24 982.331802 NA MeJP NA NA +PJ114520 SSNDDEMW C39H54N10O18S 982.3339 NA PeJP NA NA +PJ114521 SPCNDMMW C40H58N10O13S3 982.3347 NA PeJP NA NA +PJ114522 GGGPPCCDMF C40H58N10O13S3 982.3348 NA PeJP NA NA +PJ114523 GCNDDHHW C40H50N14O14S 982.3352 NA PeJP NA NA +PJ114524 CCDFFYW C48H54N8O11S2 982.3354 NA PeJP NA NA +PJ114525 PCCCHHHF C41H54N14O9S3 982.3361 NA PeJP NA NA +PJ114526 SSSSNDEEE C35H54N10O23 982.3364 NA PeJP NA NA +PJ114527 SNNEEEMM C36H58N10O18S2 982.3372 NA PeJP NA NA +PJ114528 GGGGSEEEMM C36H58N10O18S2 982.3373 NA PeJP NA NA +PJ114529 GSSNDDDHH C36H50N14O19 982.3377 NA PeJP NA NA +PJ114530 NDDMYYY C44H54N8O16S 982.3379 NA PeJP NA NA +PJ114531 SSEMMMMH C37H62N10O13S4 982.3381 NA PeJP NA NA +PJ114532 GSPCCNEHH C37H54N14O14S2 982.3386 NA PeJP NA NA +PJ114533 SCMMYYW C45H58N8O11S3 982.3387 NA PeJP NA NA +PJ114534 PTCCCFFY C45H58N8O11S3 982.3388 NA PeJP NA NA +PJ114535 GCMMMHHH C38H58N14O9S4 982.3395 NA PeJP NA NA +PJ114536 SPDDEEEY C40H54N8O21 982.3404 NA PeJP NA NA +PJ114537 GSSSSCNNNN C33H54N14O19S 982.3411 NA PeJP NA NA +PJ114538 SSSDMMYY C41H58N8O16S2 982.3412 NA PeJP NA NA +PJ114539 EEEEMMW C41H58N8O16S2 982.3413 NA PeJP NA NA +PJ114540 SSSTCCCHR C34H58N14O14S3 982.3419 NA PeJP NA NA +PJ114541 GGGGCCNEMR C34H58N14O14S3 982.342 NA PeJP NA NA +PJ114542 NMMMMYY C42H62N8O11S4 982.3421 NA PeJP NA NA +PJ114543 CCDDRWW C42H54N12O12S2 982.3426 NA PeJP NA NA +PJ114544 CCCCKMHR C35H62N14O9S5 982.3428 NA PeJP NA NA +PJ114545 STEEEEEM C37H58N8O21S 982.3438 NA PeJP NA NA +PJ114546 SPEEEMMM C38H62N8O16S3 982.3446 NA PeJP NA NA +PJ114547 SSCDDDRW C38H54N12O17S 982.3451 NA PeJP NA NA +PJ114548 PPDMMMMM C39H66N8O11S5 982.3455 NA PeJP NA NA +PJ114549 SPCCCERW C39H58N12O12S3 982.346 NA PeJP NA NA +PJ114550 GCDMWWW C47H54N10O10S2 982.3466 NA PeJP NA NA +PJ114551 SSSSDDDDR C34H54N12O22 982.3476 NA PeJP NA NA +PJ114552 SNDDDMMR C35H58N12O17S2 982.3485 NA PeJP NA NA +HMDB06627 Sialyl Lex tetra C37H62N2O28 982.348938 NA HMDB2010 NA NA +HMDB06633 Sialyl Lea tetra C37H62N2O28 982.348938 NA HMDB2010 NA NA +HMDB06627 Sialyl Lex tetra C37H62N2O28 982.34894 http://www.hmdb.ca/metabolites/HMDB06627 HMDB NA NA +HMDB06633 Sialyl Lea tetra C37H62N2O28 982.34894 http://www.hmdb.ca/metabolites/HMDB06633 HMDB NA NA +HMDB06627 Sialyl Lex tetra C37H62N2O28 982.34894 HMDB06627 PFEM_hmdb_metabocards_official NA NA +HMDB06633 Sialyl Lea tetra C37H62N2O28 982.34894 HMDB06633 PFEM_hmdb_metabocards_official NA NA +PJ114553 GSSDDMWW C43H54N10O15S 982.3491 NA PeJP NA NA +PJ114554 PCCNEMMR C36H62N12O12S4 982.3493 NA PeJP NA NA +PJ114555 GGPCCEMMR C36H62N12O12S4 982.3494 NA PeJP NA NA +PJ114556 CNNNNMHH C36H54N16O13S2 982.3498 NA PeJP NA NA +PJ114557 GPTCCMWW C44H58N10O10S3 982.35 NA PeJP NA NA +PJ114558 GSSSSDEEW C39H54N10O20 982.3516 NA PeJP NA NA +PJ114559 GSNEEMMW C40H58N10O15S2 982.3525 NA PeJP NA NA +PJ114560 GCEYYYW C48H54N8O13S 982.3531 NA PeJP NA NA +PJ114561 CCCNNDRR C33H58N16O13S3 982.3532 NA PeJP NA NA +PJ114562 GPCQMMMW C41H62N10O10S4 982.3534 NA PeJP NA NA +PJ114563 SPCCNHHW C41H54N14O11S2 982.3538 NA PeJP NA NA +PJ114564 CCMFFFW C49H58N8O8S3 982.354 NA PeJP NA NA +PJ114565 GSSSQEEEM C36H58N10O20S 982.355 NA PeJP NA NA +PJ114566 GSSDEYYY C44H54N8O18 982.3556 NA PeJP NA NA +PJ114567 DEEEEFW C44H54N8O18 982.3557 NA PeJP NA NA +PJ114568 GQQEEMMM C37H62N10O15S3 982.3559 NA PeJP NA NA +PJ114569 CNNNNNQY C37H54N14O16S 982.3563 NA PeJP NA NA +PJ114570 GGGGGGGGCNQY C37H54N14O16S 982.3564 NA PeJP NA NA +PJ114571 GSPCMYYY C45H58N8O13S2 982.3565 NA PeJP NA NA +PJ114572 ATMMMMMH C38H66N10O10S5 982.3567 NA PeJP NA NA +PJ114573 GCCNNMRW C38H58N14O11S3 982.3572 NA PeJP NA NA +PJ114574 GPEEEEMY C41H58N8O18S 982.359 NA PeJP NA NA +PJ114575 SCCDDERR C34H58N14O16S2 982.3597 NA PeJP NA NA +PJ114576 GSTMMMYY C42H62N8O13S3 982.3599 NA PeJP NA NA +PJ114577 SSSCNNWW C42H54N12O14S 982.3603 NA PeJP NA NA +PJ114578 GGSSSCNWW C42H54N12O14S 982.3604 NA PeJP NA NA +PJ114579 PCCCDMRR C35H62N14O11S4 982.3606 NA PeJP NA NA +PJ114580 GCCCKHFW C43H58N12O9S3 982.3612 NA PeJP NA NA +PJ114581 SVEEEEMM C38H62N8O18S2 982.3624 NA PeJP NA NA +PJ114582 SSSSSNNDW C38H54N12O19 982.3628 NA PeJP NA NA +PJ114583 GGGGSSSSSDW C38H54N12O19 982.3629 NA PeJP NA NA +PJ114584 PVDEMMMM C39H66N8O13S4 982.3633 NA PeJP NA NA +PJ114585 GSCDEMRW C39H58N12O14S2 982.3637 NA PeJP NA NA +PJ114586 GGGGGGGAPCMY C39H58N12O14S2 982.3638 NA PeJP NA NA +PJ114587 GDDEHHHH C39H50N16O15 982.3642 NA PeJP NA NA +PJ114588 SSCEWWW C47H54N10O12S 982.3644 NA PeJP NA NA +PJ114589 GPCCMMRW C40H62N12O9S4 982.3646 NA PeJP NA NA +PJ114590 GSSSDDEMR C35H58N12O19S 982.3662 NA PeJP NA NA +PJ114591 SSSSDEWW C43H54N10O17 982.3669 NA PeJP NA NA +PJ114592 GNDEMMMR C36H62N12O14S3 982.3671 NA PeJP NA NA +PJ114593 SCNDDHHR C36H54N16O15S 982.3676 NA PeJP NA NA +PJ114594 SNEMMWW C44H58N10O12S2 982.3677 NA PeJP NA NA +PJ114595 GGSEMMWW C44H58N10O12S2 982.3678 NA PeJP NA NA +PJ114596 CCCKKMMH C37H66N12O9S5 982.368 NA PeJP NA NA +PJ114597 CYYYWW C52H54N8O10S 982.3684 NA PeJP NA NA +PJ114598 GAPCCCHHR C37H58N16O10S3 982.3685 NA PeJP NA NA +PJ114599 SSSQEEMW C40H58N10O17S 982.3702 NA PeJP NA NA +PJ114600 GGSSTEEMW C40H58N10O17S 982.3703 NA PeJP NA NA +PJ114601 SSDYYYW C48H54N8O15 982.3709 NA PeJP NA NA +PJ114602 QQEMMMW C41H62N10O12S3 982.3711 NA PeJP NA NA +PJ114603 GSNDMHHW C41H54N14O13S 982.3716 NA PeJP NA NA +PJ114604 ACMFYYW C49H58N8O10S2 982.3718 NA PeJP NA NA +PJ114605 SSSSTQEEE C36H58N10O22 982.3727 NA PeJP NA NA +PJ114606 GGSSSTTEEE C36H58N10O22 982.3728 NA PeJP NA NA +PJ114607 SNDKEEMM C37H62N10O17S2 982.3736 NA PeJP NA NA +PJ114608 GSSNNNNNY C37H54N14O18 982.3741 NA PeJP NA NA +PJ114609 PEEEMYW C45H58N8O15S 982.3743 NA PeJP NA NA +PJ114610 TTTMMMMH C38H66N10O12S4 982.3745 NA PeJP NA NA +PJ114611 SSCCNQRW C38H58N14O13S2 982.3749 NA PeJP NA NA +PJ114612 GGSSCCQRW C38H58N14O13S2 982.375 NA PeJP NA NA +PJ114613 NMMMFFY C46H62N8O10S3 982.3751 NA PeJP NA NA +PJ114614 CNNNFWW C46H54N12O11S 982.3756 NA PeJP NA NA +PJ114615 GVEEEEEY C41H58N8O20 982.3768 NA PeJP NA NA +PJ114616 SSSSCNNER C34H58N14O18S 982.3774 NA PeJP NA NA +PJ114617 GGSSSSCNER C34H58N14O18S 982.3775 NA PeJP NA NA +PJ114618 SSTTMMYY C42H62N8O15S2 982.3776 NA PeJP NA NA +PJ114619 APEEEMMF C42H62N8O15S2 982.3777 NA PeJP NA NA +PJ114620 NDDDRYW C42H54N12O16 982.3781 NA PeJP NA NA +PJ114621 GCDDMMRR C35H62N14O13S3 982.3783 NA PeJP NA NA +PJ114622 GGGGGGTCMMR C35H62N14O13S3 982.3784 NA PeJP NA NA +PJ114623 SCDMRWW C43H58N12O11S2 982.379 NA PeJP NA NA +PJ114624 DDHHHHW C43H50N16O12 982.3795 NA PeJP NA NA +PJ114625 ALEEEMMM C39H66N8O15S3 982.381 NA PeJP NA NA +PJ114626 SSSDDMRW C39H58N12O16S 982.3815 NA PeJP NA NA +PJ114627 GNEEYWW C47H54N10O14 982.3821 NA PeJP NA NA +PJ114628 NDMMMRW C40H62N12O11S3 982.3823 NA PeJP NA NA +PJ114629 GGDMMMRW C40H62N12O11S3 982.3824 NA PeJP NA NA +PJ114630 SPCEHHHH C40H54N16O12S 982.3828 NA PeJP NA NA +PJ114631 GSMMWWW C48H58N10O9S2 982.383 NA PeJP NA NA +PJ114632 SSSSSDEER C35H58N12O21 982.384 NA PeJP NA NA +PJ114633 SSPTTCCER C36H62N12O16S2 982.3848 NA PeJP NA NA +PJ114634 SSNEEMMR C36H62N12O16S2 982.3849 NA PeJP NA NA +PJ114635 SSSSNNNHH C36H54N16O17 982.3853 NA PeJP NA NA +PJ114636 GGGGGGGGNQEH C36H54N16O17 982.3854 NA PeJP NA NA +PJ114637 GSSTEMWW C44H58N10O14S 982.3855 NA PeJP NA NA +PJ114638 SPCQMMMR C37H66N12O11S4 982.3857 NA PeJP NA NA +PJ114639 GCNEMHHR C37H58N16O12S2 982.3862 NA PeJP NA NA +PJ114640 AQMMMWW C45H62N10O9S3 982.3864 NA PeJP NA NA +PJ114641 SCQHHWW C45H54N14O10S 982.3868 NA PeJP NA NA +PJ114642 GGTCHHWW C45H54N14O10S 982.3869 NA PeJP NA NA +PJ114643 GSSSTTEEW C40H58N10O19 982.388 NA PeJP NA NA +PJ114644 GSDKEMMW C41H62N10O14S2 982.3889 NA PeJP NA NA +PJ114645 SSSNEHHW C41H54N14O15 982.3893 NA PeJP NA NA +PJ114646 GGSSSEHHW C41H54N14O15 982.3894 NA PeJP NA NA +PJ114647 GTMYYYW C49H58N8O12S 982.3895 NA PeJP NA NA +PJ114648 SCCNNMRR C34H62N16O12S3 982.3896 NA PeJP NA NA +PJ114649 GPCKMMMW C42H66N10O9S4 982.3898 NA PeJP NA NA +PJ114650 NQMMHHW C42H58N14O10S2 982.3902 NA PeJP NA NA +PJ114651 GSSSKEEEM C37H62N10O19S 982.3914 NA PeJP NA NA +PJ114652 VEEEEYW C45H58N8O17 982.392 NA PeJP NA NA +PJ114653 GQKEEMMM C38H66N10O14S3 982.3922 NA PeJP NA NA +PJ114654 GGAKEEMMM C38H66N10O14S3 982.3923 NA PeJP NA NA +PJ114655 GSSSSCNRW C38H58N14O15S 982.3927 NA PeJP NA NA +PJ114656 GGGGGGGAPEMH C38H58N14O15S 982.3928 NA PeJP NA NA +PJ114657 VNMMYYY C46H62N8O12S2 982.3929 NA PeJP NA NA +PJ114658 SNNNYWW C46H54N12O13 982.3934 NA PeJP NA NA +PJ114659 CCEMRRW C39H62N14O10S3 982.3936 NA PeJP NA NA +PJ114660 GNNMHHHH C39H54N18O11S 982.3941 NA PeJP NA NA +PJ114661 GSSSSSSNDR C34H58N14O20 982.3952 NA PeJP NA NA +PJ114662 SPVEEEMY C42H62N8O17S 982.3954 NA PeJP NA NA +PJ114663 SSCDEMRR C35H62N14O15S2 982.3961 NA PeJP NA NA +PJ114664 PPVDMMMY C43H66N8O12S3 982.3963 NA PeJP NA NA +PJ114665 GSPCDRYW C43H58N12O13S 982.3967 NA PeJP NA NA +PJ114666 GGGGGAQMYW C43H58N12O13S 982.3968 NA PeJP NA NA +PJ114667 SPCCMMRR C36H66N14O10S4 982.397 NA PeJP NA NA +PJ114668 NEYWWW C51H54N10O11 982.3974 NA PeJP NA NA +PJ114669 ACMMRWW C44H62N12O8S3 982.3976 NA PeJP NA NA +PJ114670 TTLEEEMM C39H66N8O17S2 982.3988 NA PeJP NA NA +PJ114671 SSSSSSQQW C39H58N12O18 982.3992 NA PeJP NA NA +PJ114672 GGGSEEERY C39H58N12O18 982.3993 NA PeJP NA NA +PJ114673 PTLEMMMM C40H70N8O12S4 982.3996 NA PeJP NA NA +PJ114674 GSSEMMRW C40H62N12O13S2 982.4001 NA PeJP NA NA +PJ114675 GNNNNQHW C40H54N16O14 982.4006 NA PeJP NA NA +PJ114676 SSTMWWW C48H58N10O11S 982.4007 NA PeJP NA NA +PJ114677 TTTCWWW C48H58N10O11S 982.4008 NA PeJP NA NA +PJ114678 MMMMHFR C41H66N12O8S4 982.401 NA PeJP NA NA +PJ114679 CNMHHRW C41H58N16O9S2 982.4015 NA PeJP NA NA +PJ114680 GSSSTEEMR C36H62N12O18S 982.4026 NA PeJP NA NA +PJ114681 SSSTTEWW C44H58N10O16 982.4033 NA PeJP NA NA +PJ114682 GTQEMMMR C37H66N12O13S3 982.4035 NA PeJP NA NA +PJ114683 SSCQEHHR C37H58N16O14S 982.4039 NA PeJP NA NA +PJ114684 SSNDMHHR C37H58N16O14S 982.404 NA PeJP NA NA +PJ114685 SDKMMWW C45H62N10O11S2 982.4041 NA PeJP NA NA +PJ114686 GGGAPPCMFF C45H62N10O11S2 982.4042 NA PeJP NA NA +MJ099099 Olivomycin D C47H66O22 982.404573 NA MeJP NA NA +PJ114687 GSSSHHWW C45H54N14O12 982.4046 NA PeJP NA NA +PJ114688 ACFFFYW C53H58N8O9S 982.4048 NA PeJP NA NA +PJ114689 SSSKEEMW C41H62N10O16S 982.4066 NA PeJP NA NA +PJ114690 GGGGALEEMY C41H62N10O16S 982.4067 NA PeJP NA NA +PJ114691 STTYYYW C49H58N8O14 982.4073 NA PeJP NA NA +PJ114692 QKEMMMW C42H66N10O11S3 982.4075 NA PeJP NA NA +PJ114693 CNNQRYW C42H58N14O12S 982.408 NA PeJP NA NA +PJ114694 NMMFFFF C50H62N8O9S2 982.4082 NA PeJP NA NA +PJ114695 GPDHWWW C50H54N12O10 982.4086 NA PeJP NA NA +PJ114696 SSSSTKEEE C37H62N10O21 982.4091 NA PeJP NA NA +PJ114697 STQKEEMM C38H66N10O16S2 982.41 NA PeJP NA NA +PJ114698 GSDDDRRY C38H58N14O17 982.4105 NA PeJP NA NA +PJ114699 SKEMYYY C46H62N8O14S 982.4106 NA PeJP NA NA +PJ114700 LEEEMFW C46H62N8O14S 982.4107 NA PeJP NA NA +PJ114701 SPQKMMMM C39H70N10O11S4 982.4109 NA PeJP NA NA +PJ114702 SSCCNKRW C39H62N14O12S2 982.4113 NA PeJP NA NA +PJ114703 GGSSCCKRW C39H62N14O12S2 982.4114 NA PeJP NA NA +PJ114704 SSNQHHHH C39H54N18O13 982.4118 NA PeJP NA NA +PJ114705 GGGGGGGGPHHH C39H54N18O13 982.4119 NA PeJP NA NA +PJ114706 GCEFRWW C47H58N12O10S 982.412 NA PeJP NA NA +PJ114707 GYWWWW C55H54N10O8 982.4126 NA PeJP NA NA +PJ114708 ATLEEEEY C42H62N8O19 982.4132 NA PeJP NA NA +PJ114709 SSSSSNQMR C35H62N14O17S 982.4138 NA PeJP NA NA +PJ114710 GGGGSSSSTMR C35H62N14O17S 982.4139 NA PeJP NA NA +PJ114711 APLEEMMY C43H66N8O14S2 982.414 NA PeJP NA NA +PJ114712 SNEERYW C43H58N12O15 982.4145 NA PeJP NA NA +PJ114713 GSDMMMRR C36H66N14O12S3 982.4147 NA PeJP NA NA +PJ114714 PPVMMMMF C44H70N8O9S4 982.4149 NA PeJP NA NA +PJ114715 SSMMRWW C44H62N12O10S2 982.4154 NA PeJP NA NA +PJ114716 TEHHHHW C44H54N16O11 982.4158 NA PeJP NA NA +PJ114717 GPDHHHHF C44H54N16O11 982.4159 NA PeJP NA NA +PJ114718 QMFWWW C52H58N10O8S 982.416 NA PeJP NA NA +PJ114719 SLLEEMMM C40H70N8O14S3 982.4174 NA PeJP NA NA +PJ114720 SSSTEMRW C40H62N12O15S 982.4179 NA PeJP NA NA +PJ114721 PVLMMMMM C41H74N8O9S5 982.4183 NA PeJP NA NA +PJ114722 GDKEYWW C48H58N10O13 982.4185 NA PeJP NA NA +PJ114723 TQMMMRW C41H66N12O10S3 982.4187 NA PeJP NA NA +PJ114724 GGACCKKMW C41H66N12O10S3 982.4188 NA PeJP NA NA +PJ114725 GSTCHHRW C41H58N16O11S 982.4192 NA PeJP NA NA +PJ114726 CLMHFFW C49H62N10O8S2 982.4194 NA PeJP NA NA +PJ114727 GNHHFWW C49H54N14O9 982.4199 NA PeJP NA NA +PJ114728 ASSSSSTTQQ C36H62N12O20 982.4203 NA PeJP NA NA +PJ114729 SSSSTTEER C36H62N12O20 982.4204 NA PeJP NA NA +PJ114730 SSDKEMMR C37H66N12O15S2 982.4212 NA PeJP NA NA +PJ114731 GGGGGSTTKMM C37H66N12O15S2 982.4213 NA PeJP NA NA +PJ114732 GSSSSEHHR C37H58N16O16 982.4217 NA PeJP NA NA +PJ114733 GGGGGGGGGGGSLH C37H58N16O16 982.4218 NA PeJP NA NA +PJ114734 SSSSLMWW C45H62N10O13S 982.4219 NA PeJP NA NA +PJ114735 GVQMMMMR C38H70N12O10S4 982.4221 NA PeJP NA NA +PJ114736 AAFYYYW C53H58N8O11 982.4225 NA PeJP NA NA +PJ114737 GCCNQFRR C38H62N16O11S2 982.4226 NA PeJP NA NA +PJ114738 AKMMMWW C46H66N10O8S3 982.4228 NA PeJP NA NA +PJ114739 SCKHHWW C46H58N14O9S 982.4232 NA PeJP NA NA +PJ114740 SSSSSTLEW C41H62N10O18 982.4244 NA PeJP NA NA +PJ114741 SSSSSCNRR C34H62N16O16S 982.4251 NA PeJP NA NA +PJ114742 GTTKEMMW C42H66N10O13S2 982.4253 NA PeJP NA NA +PJ114743 GSSNNRYW C42H58N14O14 982.4257 NA PeJP NA NA +PJ114744 GGGGGVQEHW C42H58N14O14 982.4258 NA PeJP NA NA +PJ114745 PCKFYYY C50H62N8O11S 982.4259 NA PeJP NA NA +PJ114746 SCCCQKRR C35H66N16O11S3 982.426 NA PeJP NA NA +PJ114747 PCCRRYW C43H62N14O9S2 982.4266 NA PeJP NA NA +PJ114748 CFRWWW C51H58N12O7S 982.4273 NA PeJP NA NA +PJ114749 ATTTTTQEM C38H66N10O18S 982.4277 NA PeJP NA NA +PJ114750 GSTTTKEEM C38H66N10O18S 982.4278 NA PeJP NA NA +PJ114751 SSSTLYYY C46H62N8O16 982.4284 NA PeJP NA NA +PJ114752 GKKEEMMM C39H70N10O13S3 982.4286 NA PeJP NA NA +PJ114753 NDEMRRY C39H62N14O14S 982.4291 NA PeJP NA NA +PJ114754 CLKMYYY C47H66N8O11S2 982.4293 NA PeJP NA NA +PJ114755 ASDRYWW C47H58N12O12 982.4297 NA PeJP NA NA +PJ114756 GSERYWW C47H58N12O12 982.4298 NA PeJP NA NA +PJ114757 TCMMRRW C40H66N14O9S3 982.43 NA PeJP NA NA +PJ114758 EMHHHHR C40H58N18O10S 982.4305 NA PeJP NA NA +PJ114759 GSSSSSSTQR C35H62N14O19 982.4316 NA PeJP NA NA +PJ114760 GLLEEEMY C43H66N8O16S 982.4318 NA PeJP NA NA +PJ114761 SSSEMMRR C36H66N14O14S2 982.4325 NA PeJP NA NA +PJ114762 PPTLMMMY C44H70N8O11S3 982.4327 NA PeJP NA NA +PJ114763 SNNNNQHR C36H58N18O15 982.4329 NA PeJP NA NA +PJ114764 GNNDDHRR C36H58N18O15 982.433 NA PeJP NA NA +PJ114765 AQEMRYW C44H62N12O12S 982.4331 NA PeJP NA NA +PJ114766 GGGGGAPPPMW C44H62N12O12S 982.4332 NA PeJP NA NA +PJ114767 QMMMMRR C37H70N14O9S4 982.4333 NA PeJP NA NA +PJ114768 GAMMMMRR C37H70N14O9S4 982.4334 NA PeJP NA NA +PJ114769 DKYWWW C52H58N10O10 982.4338 NA PeJP NA NA +PJ114770 VMHHHHW C45H58N16O8S 982.4345 NA PeJP NA NA +PJ114771 SSSSSSQKW C40H62N12O17 982.4356 NA PeJP NA NA +PJ114772 GGGGVLEEEH C40H62N12O17 982.4357 NA PeJP NA NA +PJ114773 VVLEMMMM C41H74N8O11S4 982.436 NA PeJP NA NA +PJ114774 GTTTMMRW C41H66N12O12S2 982.4365 NA PeJP NA NA +PJ114775 SSSSHHRW C41H58N16O13 982.437 NA PeJP NA NA +PJ114776 GLQMYWW C49H62N10O10S 982.4371 NA PeJP NA NA +PJ114777 GGALMYWW C49H62N10O10S 982.4372 NA PeJP NA NA +PJ114778 AAHHHHHH C42H54N20O9 982.4383 NA PeJP NA NA +PJ114779 SSSSSLEMR C37H66N12O17S 982.439 NA PeJP NA NA +PJ114780 STTTTTWW C45H62N10O15 982.4396 NA PeJP NA NA +PJ114781 GATKEEYW C45H62N10O15 982.4397 NA PeJP NA NA +PJ114782 GTKEMMMR C38H70N12O12S3 982.4399 NA PeJP NA NA +PJ114783 CDDRRRY C38H62N16O13S 982.4403 NA PeJP NA NA +PJ114784 GGGGGTCRRY C38H62N16O13S 982.4404 NA PeJP NA NA +PJ114785 TTKMMWW C46H66N10O10S2 982.4405 NA PeJP NA NA +PJ114786 SPDHRWW C46H58N14O11 982.441 NA PeJP NA NA +PJ114787 STTTKEMW C42H66N10O15S 982.443 NA PeJP NA NA +PJ114788 PLEEFYW C50H62N8O13 982.4437 NA PeJP NA NA +PJ114789 KKEMMMW C43H70N10O10S3 982.4439 NA PeJP NA NA +PJ114790 GDMRRYW C43H62N14O11S 982.4444 NA PeJP NA NA +PJ114791 CMMMRRR C36H70N16O8S4 982.4446 NA PeJP NA NA +PJ114792 SRYWWW C51H58N12O9 982.445 NA PeJP NA NA +PJ114793 SSTTTTKEE C38H66N10O20 982.4455 NA PeJP NA NA +PJ114794 STKKEEMM C39H70N10O15S2 982.4464 NA PeJP NA NA +PJ114795 SSSQQQRY C39H62N14O16 982.4468 NA PeJP NA NA +PJ114796 GSSEERRY C39H62N14O16 982.4469 NA PeJP NA NA +PJ114797 LLEEMYW C47H66N8O13S 982.447 NA PeJP NA NA +PJ114798 APLEEMFF C47H66N8O13S 982.4471 NA PeJP NA NA +PJ114799 SPKKMMMM C40H74N10O10S4 982.4473 NA PeJP NA NA +PJ114800 GPTCMRRY C40H66N14O11S2 982.4477 NA PeJP NA NA +PJ114801 GGGGACKMFR C40H66N14O11S2 982.4478 NA PeJP NA NA +PJ114802 GPNEHHHR C40H58N18O12 982.4482 NA PeJP NA NA +PJ114803 AAMRYWW C48H62N12O9S 982.4484 NA PeJP NA NA +PJ114804 STLLEEEY C43H66N8O18 982.4495 NA PeJP NA NA +PJ114805 SSSSSNKMR C36H66N14O16S 982.4502 NA PeJP NA NA +PJ114806 SPLLEMMY C44H70N8O13S2 982.4504 NA PeJP NA NA +PJ114807 SDKERYW C44H62N12O14 982.4509 NA PeJP NA NA +PJ114808 GTTMMMRR C37H70N14O11S3 982.4511 NA PeJP NA NA +PJ114809 SSTCHHRR C37H62N18O12S 982.4516 NA PeJP NA NA +PJ114810 PCKMRYW C45H66N12O9S2 982.4518 NA PeJP NA NA +PJ114811 GNQHRWW C45H58N16O10 982.4522 NA PeJP NA NA +PJ114812 KMFWWW C53H62N10O7S 982.4524 NA PeJP NA NA +PJ114813 STTTTMRW C41H66N12O14S 982.4542 NA PeJP NA NA +PJ114814 ASSSSCKKW C41H66N12O14S 982.4543 NA PeJP NA NA +PJ114815 ATKEYWW C49H62N10O12 982.4549 NA PeJP NA NA +PJ114816 TKMMMRW C42H70N12O9S3 982.4551 NA PeJP NA NA +PJ114817 PCEHRRW C42H62N16O10S 982.4556 NA PeJP NA NA +MJ099100 Antibiotic PA 46101A C52H70O18 982.456215 NA MeJP NA NA +PJ114818 SSTTTTTER C37H66N12O19 982.4567 NA PeJP NA NA +PJ114819 GSSSSSSKKE C37H66N12O19 982.4568 NA PeJP NA NA +PJ114820 STTKEMMR C38H70N12O14S2 982.4576 NA PeJP NA NA +PJ114821 SSSNNRRY C38H62N16O15 982.4581 NA PeJP NA NA +PJ114822 VQKEMYW C46H66N10O12S 982.4583 NA PeJP NA NA +PJ114823 GVKMMMMR C39H74N12O9S4 982.4585 NA PeJP NA NA +PJ114824 VNFFFFY C54H62N8O10 982.4589 NA PeJP NA NA +PJ114825 CDMFRRR C39H66N16O10S2 982.459 NA PeJP NA NA +PJ114826 APMHRWW C47H62N14O8S 982.4596 NA PeJP NA NA +PJ114827 SSSTTTTLW C42H66N10O17 982.4608 NA PeJP NA NA +PJ114828 SSTLKMMW C43H70N10O12S2 982.4616 NA PeJP NA NA +PJ114829 GPKKEMMY C43H70N10O12S2 982.4617 NA PeJP NA NA +PJ114830 SSERRYW C43H62N14O13 982.4621 NA PeJP NA NA +PJ114831 GGGGGGGGPPKW C43H62N14O13 982.4622 NA PeJP NA NA +PJ114832 CLKFFYY C51H66N8O10S 982.4623 NA PeJP NA NA +PJ114833 GMMFRRW C44H66N14O8S2 982.463 NA PeJP NA NA +PJ114834 PNHHHRW C44H58N18O9 982.4635 NA PeJP NA NA +PJ114835 SSSTTLKEM C39H70N10O17S 982.4641 NA PeJP NA NA +PJ114836 GPLLEEYY C47H66N8O15 982.4648 NA PeJP NA NA +PJ114837 SVKKEMMM C40H74N10O12S3 982.465 NA PeJP NA NA +PJ114838 TQEMRRY C40H66N14O13S 982.4655 NA PeJP NA NA +PJ114839 PPVVMMFY C48H70N8O10S2 982.4657 NA PeJP NA NA +PJ114840 ATTRYWW C48H62N12O11 982.4661 NA PeJP NA NA +PJ114841 GGVLEHWW C48H62N12O11 982.4662 NA PeJP NA NA +PJ114842 CQHHFRR C41H62N18O9S 982.4668 NA PeJP NA NA +PJ114843 GSSSSSSTKR C36H66N14O18 982.468 NA PeJP NA NA +PJ114844 SVLLEEMY C44H70N8O15S 982.4682 NA PeJP NA NA +PJ114845 STTTMMRR C37H70N14O13S2 982.4689 NA PeJP NA NA +PJ114846 PVVLMMMY C45H74N8O10S3 982.469 NA PeJP NA NA +PJ114847 DDEHRRR C37H62N18O14 982.4693 NA PeJP NA NA +PJ114848 GGGGGTEHRR C37H62N18O14 982.4694 NA PeJP NA NA +PJ114849 AKEMRYW C45H66N12O11S 982.4695 NA PeJP NA NA +PJ114850 KMMMMRR C38H74N14O8S4 982.4697 NA PeJP NA NA +PJ114851 GPKFYWW C53H62N10O9 982.4702 NA PeJP NA NA +PJ114852 SSSSSSKKW C41H66N12O16 982.472 NA PeJP NA NA +PJ114853 TLLLMMMM C42H78N8O10S4 982.4724 NA PeJP NA NA +PJ114854 STCCKKKW C42H70N12O11S2 982.4729 NA PeJP NA NA +PJ114855 TQQQHRW C42H62N16O12 982.4733 NA PeJP NA NA +PJ114856 AEEHRRW C42H62N16O12 982.4734 NA PeJP NA NA +PJ114857 GLKMYWW C50H66N10O9S 982.4735 NA PeJP NA NA +PJ114858 SSSTTTLMR C38H70N12O16S 982.4754 NA PeJP NA NA +PJ114859 TKKEEYW C46H66N10O14 982.476 NA PeJP NA NA +PJ114860 AAAPPLEEW C46H66N10O14 982.4761 NA PeJP NA NA +PJ114861 SSLKMMMR C39H74N12O11S3 982.4763 NA PeJP NA NA +PJ114862 SDMRRRY C39H66N16O12S 982.4767 NA PeJP NA NA +PJ114863 GGGGGAALMHR C39H66N16O12S 982.4768 NA PeJP NA NA +PJ114864 PKKMMYW C47H70N10O9S2 982.4769 NA PeJP NA NA +PJ114865 GLEHRWW C47H62N14O10 982.4774 NA PeJP NA NA +PJ114866 GVKKEEMY C43H70N10O14S 982.4794 NA PeJP NA NA +PJ114867 ALKYYYY C51H66N8O12 982.48 NA PeJP NA NA +PJ114868 PLLEYYW C51H66N8O12 982.4801 NA PeJP NA NA +PJ114869 APKKMMMF C44H74N10O9S3 982.4803 NA PeJP NA NA +PJ114870 ATMRRYW C44H66N14O10S 982.4807 NA PeJP NA NA +MJ099101 Urechistachykinin II C44H66N14O10S 982.480705 NA MeJP NA NA +PJ114871 PKEMHRW C44H66N14O10S 982.4808 NA PeJP NA NA +PJ114872 GVLHWWW C52H62N12O8 982.4814 NA PeJP NA NA +PJ114873 TTTTTTTKE C39H70N10O19 982.4819 NA PeJP NA NA +PJ114874 SSSSLLKMM C40H74N10O14S2 982.4828 NA PeJP NA NA +PJ114875 GTTTERRY C40H66N14O15 982.4832 NA PeJP NA NA +PJ114876 GGGGSTTKRY C40H66N14O15 982.4833 NA PeJP NA NA +PJ114877 SPPLLMYY C48H70N8O12S 982.4834 NA PeJP NA NA +PJ114878 VCLKKMMM C41H78N10O9S4 982.4836 NA PeJP NA NA +PJ114879 ALKKMMMM C41H78N10O9S4 982.4837 NA PeJP NA NA +PJ114880 VQMMRRY C41H70N14O10S2 982.4841 NA PeJP NA NA +PJ114881 SNQHRRW C41H62N18O11 982.4846 NA PeJP NA NA +PJ114882 PVKMHWW C49H66N12O8S 982.4848 NA PeJP NA NA +PJ114883 SSSSTCKKR C37H70N14O15S 982.4866 NA PeJP NA NA +PJ114884 ALLLEMMY C45H74N8O12S2 982.4868 NA PeJP NA NA +PJ114885 TTKERYW C45H66N12O13 982.4873 NA PeJP NA NA +PJ114886 SCCKKKMR C38H74N14O10S3 982.4875 NA PeJP NA NA +PJ114887 QQQMHRR C38H66N18O11S 982.488 NA PeJP NA NA +PJ114888 CLKMFRW C46H70N12O8S2 982.4881 NA PeJP NA NA +PJ114889 GNKHRWW C46H62N16O9 982.4886 NA PeJP NA NA +PJ114890 KKEEMRY C42H70N12O13S 982.4906 NA PeJP NA NA +PJ114891 GGGAATKKMY C42H70N12O13S 982.4907 NA PeJP NA NA +PJ114892 STLKYWW C50H66N10O11 982.4913 NA PeJP NA NA +PJ114893 PTMHRRW C43H66N16O9S 982.492 NA PeJP NA NA +PJ114894 LHRWWW C51H62N14O7 982.4926 NA PeJP NA NA +PJ114895 TTTTTTTTR C38H70N12O18 982.4931 NA PeJP NA NA +PJ114896 GSSSKKKMM C39H74N12O13S2 982.494 NA PeJP NA NA +PJ114897 KEEEHRR C39H66N16O14 982.4945 NA PeJP NA NA +PJ114898 VKKEMYW C47H70N10O11S 982.4947 NA PeJP NA NA +PJ114899 TKFFFFF C55H66N8O9 982.4953 NA PeJP NA NA +PJ114900 AMMRRRY C40H70N16O9S2 982.4954 NA PeJP NA NA +PJ114901 GSPHHHRR C40H62N20O10 982.4958 NA PeJP NA NA +PJ114902 GSTTTLLQY C43H70N10O16 982.4971 NA PeJP NA NA +PJ114903 SSLKKEEY C43H70N10O16 982.4972 NA PeJP NA NA +PJ114904 SPVKKMMY C44H74N10O11S2 982.498 NA PeJP NA NA +PJ114905 GGAPPPLLMM C44H74N10O11S2 982.4981 NA PeJP NA NA +PJ114906 TTTRRYW C44H66N14O12 982.4985 NA PeJP NA NA +PJ114907 PPVVMFFF C52H70N8O9S 982.4987 NA PeJP NA NA +PJ114908 NNMHRRR C37H66N20O10S 982.4992 NA PeJP NA NA +PJ114909 LHHHHFR C45H62N18O8 982.4999 NA PeJP NA NA +PJ114910 STTTTTLKM C40H74N10O16S 982.5005 NA PeJP NA NA +PJ114911 SPVLLEYY C48H70N8O14 982.5012 NA PeJP NA NA +PJ114912 TTLKKMMM C41H78N10O11S3 982.5014 NA PeJP NA NA +PJ114913 TKEMRRY C41H70N14O12S 982.5019 NA PeJP NA NA +PJ114914 PVVLMMFF C49H74N8O9S2 982.5021 NA PeJP NA NA +PJ114915 PPLERWW C49H66N12O10 982.5025 NA PeJP NA NA +PJ114916 CKHHFRR C42H66N18O8S 982.5032 NA PeJP NA NA +PJ114917 TTLLLEMY C45H74N8O14S 982.5046 NA PeJP NA NA +PJ114918 VVLLMMMF C46H78N8O9S3 982.5054 NA PeJP NA NA +PJ114919 TEEHRRR C38H66N18O13 982.5057 NA PeJP NA NA +PJ114920 GGGGGGGGPVRR C38H66N18O13 982.5058 NA PeJP NA NA +PJ114921 SLKMRYW C46H70N12O10S 982.5059 NA PeJP NA NA +PJ114922 PPVLWWW C54H66N10O8 982.5066 NA PeJP NA NA +PJ114923 SSTLKERY C42H70N12O15 982.5084 NA PeJP NA NA +PJ114924 AALKMMRY C43H74N12O10S2 982.5093 NA PeJP NA NA +PJ114925 SLEHRRW C43H66N16O11 982.5097 NA PeJP NA NA +PJ114926 GGGPPTRRW C43H66N16O11 982.5098 NA PeJP NA NA +PJ114927 PKKMFFW C51H70N10O8S 982.5099 NA PeJP NA NA +PJ114928 SSSSTKKKM C39H74N12O15S 982.5118 NA PeJP NA NA +PJ114929 SSSLLKYW C47H70N10O13 982.5124 NA PeJP NA NA +PJ114930 SCKKKKMM C40H78N12O10S3 982.5126 NA PeJP NA NA +PJ114931 TTMRRRY C40H70N16O11S 982.5131 NA PeJP NA NA +PJ114932 LKKMMFW C48H74N10O8S2 982.5133 NA PeJP NA NA +C08937 Colubrinoside C50H78O19 982.5137 NA KEGG NA NA +MJ099102 3,21-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 21-Ketone, 28-O-[?-L-rhamnopyranosyl-(1?4)-6-O-acetyl-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C50H78O19 982.51373 NA MeJP NA NA +MJ099103 Jujubogenin; 3-O-[?-D-Xylopyranosyl-(1?2)-3-O-acetyl-?-D-glucopyranosyl-(1?3)-2-O-acetyl-?-L-arabinopyranoside] C50H78O19 982.51373 NA MeJP NA NA +PJ114933 SVLHRWW C48H66N14O9 982.5138 NA PeJP NA NA +PJ114934 ATLKKEMY C44H74N10O13S 982.5158 NA PeJP NA NA +PJ114935 LLLEFYW C52H70N8O11 982.5164 NA PeJP NA NA +PJ114936 APLLEFFF C52H70N8O11 982.5165 NA PeJP NA NA +PJ114937 GSSQHRRR C37H66N20O12 982.517 NA PeJP NA NA +PJ114938 LLQMHRW C45H70N14O9S 982.5171 NA PeJP NA NA +PJ114939 SSTTLRRY C41H70N14O14 982.5196 NA PeJP NA NA +PJ114940 GGGGPLLQER C41H70N14O14 982.5197 NA PeJP NA NA +PJ114941 APLLLMYY C49H74N8O11S 982.5198 NA PeJP NA NA +PJ114942 VKMMRRY C42H74N14O9S2 982.5205 NA PeJP NA NA +PJ114943 SNKHRRW C42H66N18O10 982.521 NA PeJP NA NA +PJ114944 SLLLLMMY C46H78N8O11S2 982.5232 NA PeJP NA NA +PJ114945 SPPLQQKW C46H70N12O12 982.5236 NA PeJP NA NA +PJ114946 GSSKKKYW C46H70N12O12 982.5237 NA PeJP NA NA +PJ114947 QQKMHRR C39H70N18O10S 982.5243 NA PeJP NA NA +PJ114948 VEMHRRR C39H70N18O10S 982.5244 NA PeJP NA NA +PJ114949 FRRRYW C47H66N16O8 982.525 NA PeJP NA NA +PJ114950 ATTLKMRY C43H74N12O12S 982.527 NA PeJP NA NA +PJ114951 GGGGGPPLLKM C43H74N12O12S 982.5271 NA PeJP NA NA +PJ114952 APPTLLWW C51H70N10O10 982.5277 NA PeJP NA NA +PJ114953 VVMHRRW C44H70N16O8S 982.5284 NA PeJP NA NA +PJ114954 ATTLEHRR C40H70N16O13 982.5309 NA PeJP NA NA +PJ114955 PPVLLQMW C48H74N10O10S 982.5311 NA PeJP NA NA +2829 PEP inhibitor APPTPPPLPP 982.532 NA Inhouse_peptide NA peptide +PJ114956 LQHHHRR C41H66N20O9 982.5322 NA PeJP NA NA +PJ114957 TTTLKKEY C44H74N10O15 982.5335 NA PeJP NA NA +PJ114958 GPPTLLKEE C44H74N10O15 982.5336 NA PeJP NA NA +PJ114959 GLLKKMMY C45H78N10O10S2 982.5344 NA PeJP NA NA +PJ114960 GTTLLHRW C45H70N14O11 982.5349 NA PeJP NA NA +PJ114961 CQKHRRR C38H70N20O9S 982.5356 NA PeJP NA NA +PJ114962 GLLLLEYY C49H74N8O13 982.5376 NA PeJP NA NA +PJ114963 GTCKKKRY C42H74N14O11S 982.5383 NA PeJP NA NA +PJ114964 TLLKHWW C50H70N12O9 982.5389 NA PeJP NA NA +PJ114965 AAPQERRR C39H70N18O12 982.5421 NA PeJP NA NA +PJ114966 CKKKKYW C47H74N12O9S 982.5423 NA PeJP NA NA +PJ114967 TTTTLKRY C43H74N12O14 982.5448 NA PeJP NA NA +PJ114968 ACKKKKMF C44H78N12O9S2 982.5457 NA PeJP NA NA +PJ114969 GSPPKRRW C44H70N16O10 982.5461 NA PeJP NA NA +PJ114970 PPTLLKEW C48H74N10O12 982.5488 NA PeJP NA NA +PJ114971 GTLLMHRR C41H74N16O10S 982.5495 NA PeJP NA NA +MJ099104 3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C51H82O18 982.550115 NA MeJP NA NA +MJ099105 3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranoside] C51H82O18 982.550115 NA MeJP NA NA +MJ099106 3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-L-cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C51H82O18 982.550115 NA MeJP NA NA +MJ099107 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?4)-6-O-butyl-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C51H82O18 982.550115 NA MeJP NA NA +PJ114972 AKKKHWW C49H70N14O8 982.5502 NA PeJP NA NA +PJ114973 STLLKKMY C45H78N10O12S 982.5522 NA PeJP NA NA +PJ114974 LLLLYYW C53H74N8O10 982.5528 NA PeJP NA NA +PJ114975 PNERRRR C38H70N20O11 982.5533 NA PeJP NA NA +PJ114976 GGPERRRR C38H70N20O11 982.5534 NA PeJP NA NA +PJ114977 LLKMHRW C46H74N14O8S 982.5535 NA PeJP NA NA +PJ114978 SSSKKKRY C42H74N14O13 982.556 NA PeJP NA NA +PJ114979 GGGGGGGPVLKK C42H74N14O13 982.5561 NA PeJP NA NA +PJ114980 ALLLLMFY C50H78N8O10S 982.5562 NA PeJP NA NA +PJ114981 PVNRRRW C43H70N18O9 982.5574 NA PeJP NA NA +PJ114982 PPTTLLRW C47H74N12O11 982.56 NA PeJP NA NA +PJ114983 GPLLLERW C47H74N12O11 982.5601 NA PeJP NA NA +PJ114984 APPCKRRR C40H74N18O9S 982.5607 NA PeJP NA NA +PJ114985 GTKKKKMY C44H78N12O11S 982.5634 NA PeJP NA NA +PJ114986 GPVLLLWW C52H74N10O9 982.5641 NA PeJP NA NA +PJ114987 STTILHRR C41H74N16O12 982.5672 NA PeJP NA NA +PJ114988 STTLLHRR C41H74N16O12 982.5673 NA PeJP NA NA +PJ114989 PPVLLKMW C49H78N10O9S 982.5674 NA PeJP NA NA +PJ114990 GPRRRRW C42H70N20O8 982.5686 NA PeJP NA NA +PJ114991 AAPLLLKEE C45H78N10O14 982.5699 NA PeJP NA NA +PJ114992 GPVVLLKEE C45H78N10O14 982.57 NA PeJP NA NA +PJ114993 LLLLLMMH C46H82N10O9S2 982.5708 NA PeJP NA NA +PJ114994 APPTKKRW C46H74N14O10 982.5713 NA PeJP NA NA +PJ114995 CKKHRRR C39H74N20O8S 982.572 NA PeJP NA NA +PJ114996 SVLLLLYY C50H78N8O12 982.574 NA PeJP NA NA +PJ114997 PPTILMRR C43H78N14O10S 982.5746 NA PeJP NA NA +PJ114998 PPTLLMRR C43H78N14O10S 982.5747 NA PeJP NA NA +PJ114999 PLLLRWW C51H74N12O8 982.5753 NA PeJP NA NA +PJ115000 AAPKERRR C40H74N18O11 982.5785 NA PeJP NA NA +PJ115001 STTKKKKY C44H78N12O13 982.5812 NA PeJP NA NA +PJ115002 PLQKRRW C45H74N16O9 982.5825 NA PeJP NA NA +PJ115003 PVVLLKEW C49H78N10O11 982.5852 NA PeJP NA NA +PJ115004 APPKKMRR C42H78N16O9S 982.5859 NA PeJP NA NA +PJ115005 APPTLLLKM C46H82N10O11S 982.5886 NA PeJP NA NA +PJ115006 ALLLLFFF C54H78N8O9 982.5892 NA PeJP NA NA +PJ115007 PDKRRRR C39H74N20O10 982.5897 NA PeJP NA NA +PJ115008 SPLLLERR C43H78N14O12 982.5924 NA PeJP NA NA +PJ115009 VLHFRRR C44H74N18O8 982.5938 NA PeJP NA NA +PJ115010 SPVLLLRW C48H78N12O10 982.5964 NA PeJP NA NA +PJ115011 KKKMHRR C41H78N18O8S 982.5971 NA PeJP NA NA +MJ099108 Foromacidin A; 4''-(3-Methylbutanoyl), 3-propanoyl C51H86N2O16 982.597734 NA MeJP NA NA +PJ115012 PLLLLQMR C45H82N12O10S 982.5998 NA PeJP NA NA +PJ115013 SPRRRRR C38H74N22O9 982.601 NA PeJP NA NA +PJ115014 APVKKERR C42H78N16O11 982.6036 NA PeJP NA NA +PJ115015 GPLKKERR C42H78N16O11 982.6037 NA PeJP NA NA +PJ115016 GPTLLLLKE C46H82N10O13 982.6063 NA PeJP NA NA +PJ115017 GPVLKKRW C47H78N14O9 982.6077 NA PeJP NA NA +PJ115018 PVVLLMRR C44H82N14O9S 982.611 NA PeJP NA NA +PJ115019 GPTLKRRR C41H78N18O10 982.6149 NA PeJP NA NA +PJ115020 VLLLLQER C45H82N12O12 982.6176 NA PeJP NA NA +PJ115021 PLKKRRW C46H78N16O8 982.6189 NA PeJP NA NA +PJ115022 PTLLLLKW C50H82N10O10 982.6216 NA PeJP NA NA +PJ115023 GPVLLLLKM C47H86N10O10S 982.625 NA PeJP NA NA +PJ115024 VLQRRRR C40H78N20O9 982.6261 NA PeJP NA NA +PJ115025 ALLLLERR C44H82N14O11 982.6288 NA PeJP NA NA +PJ115026 GLLLLLRW C49H82N12O9 982.6328 NA PeJP NA NA +PJ115027 PLLLLKMR C46H86N12O9S 982.6362 NA PeJP NA NA +PJ115028 ALRRRRR C39H78N22O8 982.6373 NA PeJP NA NA +PJ115029 SPVLKKRR C43H82N16O10 982.64 NA PeJP NA NA +PJ115030 AALLLLLKE C47H86N10O12 982.6427 NA PeJP NA NA +PJ115031 AALLKRRR C42H82N18O9 982.6513 NA PeJP NA NA +PJ115032 VLLLLKER C46H86N12O11 982.6539 NA PeJP NA NA +PJ115033 GSVLLLLLR C46H86N12O11 982.654 NA PeJP NA NA +PJ115034 VVLLLLKW C51H86N10O9 982.658 NA PeJP NA NA +PJ115035 VLKRRRR C41H82N20O8 982.6625 NA PeJP NA NA +PJ115036 SLLLLLRR C45H86N14O10 982.6652 NA PeJP NA NA +PJ115037 GLLLKKRR C44H86N16O9 982.6764 NA PeJP NA NA +PJ115038 GTLLLLLLK C48H90N10O11 982.6791 NA PeJP NA NA +PJ115039 LLLLQKKK C47H90N12O10 982.6903 NA PeJP NA NA +PJ115040 VVLLKKKR C46H90N14O9 982.7016 NA PeJP NA NA +MJ099109 Zeaxanthin; 3-O-[15-Methylhexadecanoyl-(?6)-?-D-glucopyranoside] C63H98O8 982.72617 NA MeJP NA NA +C15958 Thermozeaxanthin-17 C63H98O8 982.7262 NA KEGG NA NA +PJ115041 LLLLKKKK C48H94N12O9 982.7267 NA PeJP NA NA +2815 PEP inhibitor MTPPPLPARVDFSLAGALN 983.0091 MH2+ Inhouse_peptide NA peptide +PJ115042 CCCCCCCDE C30H49N9O14S7 983.1444 NA PeJP NA NA +PJ115043 SCCCCCCEM C31H53N9O13S7 983.1808 NA PeJP NA NA +PJ115044 GCCCCCDDY C34H49N9O15S5 983.1952 NA PeJP NA NA +PJ115045 PCCCCCCCF C35H53N9O10S7 983.1961 NA PeJP NA NA +PJ115046 GCCCCCMMM C32H57N9O10S8 983.1995 NA PeJP NA NA +PJ115047 SPCCCCCCY C35H53N9O12S6 983.2138 NA PeJP NA NA +PJ115048 STCCCCCMM C32H57N9O12S7 983.2172 NA PeJP NA NA +PJ115049 GCCCCDDEH C33H49N11O16S4 983.2242 NA PeJP NA NA +PJ115050 GCDDDDDDD C33H45N9O24S 983.2299 NA PeJP NA NA +PJ115051 GSCCCCDMY C35H53N9O14S5 983.2316 NA PeJP NA NA +PJ115052 CCCCDDHW C37H49N11O13S4 983.2395 NA PeJP NA NA +PJ115053 SSCCCDDDH C33H49N11O18S3 983.242 NA PeJP NA NA +PJ115054 SPCCCCCEH C34H53N11O13S5 983.2428 NA PeJP NA NA +PJ115055 TCCCCCYW C39H53N9O11S5 983.2468 NA PeJP NA NA +PJ115056 SPCCDDDDD C34H49N9O21S2 983.2485 NA PeJP NA NA +PJ115057 SSSCCCCEY C35H53N9O16S4 983.2493 NA PeJP NA NA +PJ115058 PPCCCCDDE C35H53N9O16S4 983.2494 NA PeJP NA NA +PJ115059 CCCCQMMY C36H57N9O11S6 983.2502 NA PeJP NA NA +PJ115060 GCCCCNNMH C33H53N13O12S5 983.2541 NA PeJP NA NA +PJ115061 GCCNNDDDE C33H49N11O20S2 983.2597 NA PeJP NA NA +PJ115062 GSCCCDEMH C34H53N11O15S4 983.2606 NA PeJP NA NA +PJ115063 CCCCCMRY C35H57N11O10S6 983.2615 NA PeJP NA NA +PJ115064 CCCCNEFY C39H53N9O13S4 983.2646 NA PeJP NA NA +PJ115065 GSCDDDDEE C34H49N9O23S 983.2662 NA PeJP NA NA +PJ115066 GSDDDDDDM C34H49N9O23S 983.2663 NA PeJP NA NA +PJ115067 GPCCDDDEM C35H53N9O18S3 983.2671 NA PeJP NA NA +PJ115068 GSSCCCMMY C36H57N9O13S5 983.268 NA PeJP NA NA +PJ115069 SSCCCCNQH C33H53N13O14S4 983.2718 NA PeJP NA NA +PJ115070 GGGGGGGGPCCCC C33H53N13O14S4 983.2719 NA PeJP NA NA +PJ115071 CCNNDDDW C37H49N11O17S2 983.275 NA PeJP NA NA +PJ115072 SCCCDMHW C38H53N11O12S4 983.2758 NA PeJP NA NA +PJ115073 GPCCCCDHF C38H53N11O12S4 983.2759 NA PeJP NA NA +PJ115074 SSCNNDDDD C33H49N11O22S 983.2775 NA PeJP NA NA +PJ115075 SSSCCDDMH C34H53N11O17S3 983.2783 NA PeJP NA NA +PJ115076 GGSPCCCNDE C34H53N11O17S3 983.2784 NA PeJP NA NA +PJ115077 CCNDMMMH C35H57N11O12S5 983.2792 NA PeJP NA NA +PJ115078 GCCCCFYW C43H53N9O10S4 983.2799 NA PeJP NA NA +PJ115079 SCDDDDEW C38H49N9O20S 983.2815 NA PeJP NA NA +PJ115080 PCCDDDMW C39H53N9O15S3 983.2824 NA PeJP NA NA +PJ115081 CCCCQMFF C40H57N9O10S5 983.2832 NA PeJP NA NA +PJ115082 SSSDDDDDE C34H49N9O25 983.284 NA PeJP NA NA +PJ115083 NDDDDEMM C35H53N9O20S2 983.2849 NA PeJP NA NA +PJ115084 SSSTCCCMY C36H57N9O15S4 983.2857 NA PeJP NA NA +PJ115085 CCCCKMMY C37H61N9O10S6 983.2866 NA PeJP NA NA +PJ115086 GSSSSCCCNH C33H53N13O16S3 983.2896 NA PeJP NA NA +PJ115087 ACCCCCNKH C34H57N13O11S5 983.2904 NA PeJP NA NA +PJ115088 CCCCEMHR C34H57N13O11S5 983.2905 NA PeJP NA NA +PJ115089 GSPCCCNDW C38H53N11O14S3 983.2936 NA PeJP NA NA +PJ115090 ACCCMMHW C39H57N11O9S5 983.2945 NA PeJP NA NA +PJ115091 CDDDDDMR C34H53N11O19S2 983.2961 NA PeJP NA NA +PJ115092 GSSCCEMMH C35H57N11O14S4 983.297 NA PeJP NA NA +PJ115093 GSCCCYYW C43H53N9O12S3 983.2976 NA PeJP NA NA +PJ115094 CCCNMHHH C36H53N15O10S4 983.2983 NA PeJP NA NA +PJ115095 NDDDDDEF C38H49N9O22 983.2993 NA PeJP NA NA +PJ115096 GDDDDMMW C39H53N9O17S2 983.3001 NA PeJP NA NA +PJ115097 GCCNMMYY C40H57N9O12S4 983.301 NA PeJP NA NA +PJ115098 GSSDDDEEM C35H53N9O22S 983.3026 NA PeJP NA NA +PJ115099 GSPCDDEMM C36H57N9O17S3 983.3035 NA PeJP NA NA +PJ115100 CNDDDEHH C36H49N13O18S 983.304 NA PeJP NA NA +PJ115101 GPPCCDMMM C37H61N9O12S5 983.3044 NA PeJP NA NA +PJ115102 CCCNNNQW C37H53N13O13S3 983.3048 NA PeJP NA NA +PJ115103 GGGGGGCCCQW C37H53N13O13S3 983.3049 NA PeJP NA NA +PJ115104 GSCCNDDDR C33H53N13O18S2 983.3073 NA PeJP NA NA +PJ115105 GGGSCCDDDR C33H53N13O18S2 983.3074 NA PeJP NA NA +PJ115106 GPCCCCNER C34H57N13O13S4 983.3082 NA PeJP NA NA +PJ115107 GCCCEHFW C42H53N11O11S3 983.3089 NA PeJP NA NA +PJ115108 NNNDDDDY C37H49N11O21 983.3105 NA PeJP NA NA +MetaCyc04359 glycoprotein-phospho-D-mannose [] C34H58N5O26P1 983.310764 NA metacyc NA NA +PJ115109 SCNNDDMW C38H53N11O16S2 983.3114 NA PeJP NA NA +PJ115110 SSCCMMHW C39H57N11O11S4 983.3122 NA PeJP NA NA +PJ115111 SSSCNNDEE C34H53N11O21S 983.3138 NA PeJP NA NA +PJ115112 SSSNNDDDM C34H53N11O21S 983.3139 NA PeJP NA NA +PJ115113 GDDDDDFW C42H49N9O19 983.3145 NA PeJP NA NA +PJ115114 SSSSCDMMH C35H57N11O16S3 983.3147 NA PeJP NA NA +PJ115115 GGGGGGDDMMM C35H57N11O16S3 983.3148 NA PeJP NA NA +PJ115116 CDDEMWW C43H53N9O14S2 983.3154 NA PeJP NA NA +PJ115117 SCNMMMMH C36H61N11O11S5 983.3156 NA PeJP NA NA +PJ115118 GSTCCCHHH C36H53N15O12S3 983.3161 NA PeJP NA NA +PJ115119 SSDDDEMW C39H53N9O19S 983.3179 NA PeJP NA NA +PJ115120 SSCCQMYY C40H57N9O14S3 983.3187 NA PeJP NA NA +PJ115121 SPCDDMMW C40H57N9O14S3 983.3188 NA PeJP NA NA +PJ115122 GCDDDHHW C40H49N13O15S 983.3192 NA PeJP NA NA +PJ115123 CCCCKMFF C41H61N9O9S5 983.3196 NA PeJP NA NA +PJ115124 SSSSDDEEE C35H53N9O24 983.3204 NA PeJP NA NA +PJ115125 SSSPDDDMM C36H57N9O19S2 983.3212 NA PeJP NA NA +PJ115126 SNDEEEMM C36H57N9O19S2 983.3213 NA PeJP NA NA +PJ115127 GSSDDDDHH C36H49N13O20 983.3217 NA PeJP NA NA +PJ115128 DDDMYYY C44H53N7O17S 983.3219 NA PeJP NA NA +PJ115129 PNDDMMMM C37H61N9O14S4 983.3221 NA PeJP NA NA +PJ115130 GSSCCNNNW C37H53N13O15S2 983.3226 NA PeJP NA NA +PJ115131 PCCCCNRW C38H57N13O10S4 983.3235 NA PeJP NA NA +PJ115132 CCCHFWW C46H53N11O8S3 983.3241 NA PeJP NA NA +PJ115133 GSSSSCNNND C33H53N13O20S 983.3251 NA PeJP NA NA +PJ115134 CCNNDEMR C34H57N13O15S3 983.326 NA PeJP NA NA +PJ115135 DMMMMYY C42H61N7O12S4 983.3261 NA PeJP NA NA +PJ115136 GSCCNEWW C42H53N11O13S2 983.3266 NA PeJP NA NA +PJ115137 TCCCMMHR C35H61N13O10S5 983.3268 NA PeJP NA NA +PJ115138 GSSSCNDEW C38H53N11O18S 983.3291 NA PeJP NA NA +PJ115139 GCNNEMMW C39H57N11O13S3 983.33 NA PeJP NA NA +PJ115140 GSSSSSNDDE C34H53N11O23 983.3316 NA PeJP NA NA +PJ115141 SDDDDMMR C35H57N11O18S2 983.3325 NA PeJP NA NA +PJ115142 GPCDDEYW C43H53N9O16S 983.3331 NA PeJP NA NA +PJ115143 ASSSCMMMH C36H61N11O13S4 983.3333 NA PeJP NA NA +PJ115144 PCCDEMMR C36H61N11O13S4 983.3334 NA PeJP NA NA +PJ115145 SSSSCCHHH C36H53N15O14S2 983.3338 NA PeJP NA NA +PJ115146 GGGGGGCDMHH C36H53N15O14S2 983.3339 NA PeJP NA NA +PJ115147 PPCCCEFW C44H57N9O11S3 983.334 NA PeJP NA NA +PJ115148 GNDEEEEY C39H53N9O21 983.3356 NA PeJP NA NA +PJ115149 GGGDEEEEY C39H53N9O21 983.3357 NA PeJP NA NA +PJ115150 GSDEEMMW C40H57N9O16S2 983.3365 NA PeJP NA NA +PJ115151 CCCNDDRR C33H57N15O14S3 983.3372 NA PeJP NA NA +PJ115152 GPCEMMMW C41H61N9O11S4 983.3374 NA PeJP NA NA +PJ115153 SPCCDHHW C41H53N13O12S2 983.3378 NA PeJP NA NA +PJ115154 GSSSEEEEM C36H57N9O21S 983.339 NA PeJP NA NA +PJ115155 GQEEEMMM C37H61N9O16S3 983.3399 NA PeJP NA NA +PJ115156 CNNNNNEY C37H53N13O17S 983.3403 NA PeJP NA NA +PJ115157 GGGGGGCNNEY C37H53N13O17S 983.3404 NA PeJP NA NA +PJ115158 DDMMFYY C45H57N7O14S2 983.3405 NA PeJP NA NA +PJ115159 APPTCCMMM C38H65N9O11S5 983.3407 NA PeJP NA NA +PJ115160 GSPPCMMMM C38H65N9O11S5 983.3408 NA PeJP NA NA +PJ115161 GCCNDMRW C38H57N13O12S3 983.3412 NA PeJP NA NA +PJ115162 SCCNWWW C46H53N11O10S2 983.3419 NA PeJP NA NA +PJ115163 GSSCNDDMR C34H57N13O17S2 983.3437 NA PeJP NA NA +PJ115164 SSSCNDWW C42H53N11O15S 983.3444 NA PeJP NA NA +PJ115165 GSPCCCQMR C35H61N13O12S4 983.3446 NA PeJP NA NA +PJ115166 MMMMMFY C43H65N7O9S5 983.3448 NA PeJP NA NA +PJ115167 CNNMMWW C43H57N11O10S3 983.3452 NA PeJP NA NA +PJ115168 GGGGCMMWW C43H57N11O10S3 983.3453 NA PeJP NA NA +PJ115169 SSSSSNDDW C38H53N11O20 983.3469 NA PeJP NA NA +PJ115170 SSNNDMMW C39H57N11O15S2 983.3477 NA PeJP NA NA +PJ115171 GGGGSSDMMW C39H57N11O15S2 983.3478 NA PeJP NA NA +PJ115172 PCDDYWW C47H53N9O13S 983.3484 NA PeJP NA NA +PJ115173 PCCCNKMW C40H61N11O10S4 983.3486 NA PeJP NA NA +PJ115174 GCCNQHHW C40H53N15O11S2 983.3491 NA PeJP NA NA +PJ115175 SSSSNNEEM C35H57N11O20S 983.3502 NA PeJP NA NA +PJ115176 GGGGSSSSEEM C35H57N11O20S 983.3503 NA PeJP NA NA +PJ115177 NDEEEYW C43H53N9O18 983.3509 NA PeJP NA NA +PJ115178 GDDEMMMR C36H61N11O15S3 983.3511 NA PeJP NA NA +PJ115179 SCDDDHHR C36H53N15O16S 983.3516 NA PeJP NA NA +PJ115180 CNQMYYY C44H57N9O13S2 983.3517 NA PeJP NA NA +PJ115181 SDEMMWW C44H57N9O13S2 983.3518 NA PeJP NA NA +PJ115182 TCCKMMMH C37H65N11O10S5 983.352 NA PeJP NA NA +PJ115183 PCCCEHHR C37H57N15O11S3 983.3525 NA PeJP NA NA +PJ115184 PCMMMWW C45H61N9O8S4 983.3526 NA PeJP NA NA +PJ115185 SSSSSTCYY C40H57N9O18S 983.3542 NA PeJP NA NA +PJ115186 SSSEEEMW C40H57N9O18S 983.3543 NA PeJP NA NA +PJ115187 DDDFFYY C48H53N7O16 983.3549 NA PeJP NA NA +PJ115188 GGSSSCCNNR C33H57N15O16S2 983.355 NA PeJP NA NA +PJ115189 QEEMMMW C41H61N9O13S3 983.3551 NA PeJP NA NA +PJ115190 GCNNNNYW C41H53N13O14S 983.3556 NA PeJP NA NA +PJ115191 GSPCCCCRR C34H61N15O11S4 983.3558 NA PeJP NA NA +PJ115192 CCCQRWW C42H57N13O9S3 983.3565 NA PeJP NA NA +PJ115193 SSSSTEEEE C36H57N9O23 983.3568 NA PeJP NA NA +PJ115194 STQEEEMM C37H61N9O18S2 983.3576 NA PeJP NA NA +PJ115195 GSSNNNNDY C37H53N13O19 983.3581 NA PeJP NA NA +PJ115196 SEEMYYY C45H57N7O16S 983.3583 NA PeJP NA NA +PJ115197 SPQEMMMM C38H65N9O13S4 983.3585 NA PeJP NA NA +PJ115198 SSCCNERW C38H57N13O14S2 983.359 NA PeJP NA NA +PJ115199 DMMMFFY C46H61N7O11S3 983.3592 NA PeJP NA NA +PJ115200 CNNDFWW C46H53N11O12S 983.3596 NA PeJP NA NA +PJ115201 GCCMMHFR C39H61N13O9S4 983.3599 NA PeJP NA NA +PJ115202 PCCNHHHH C39H53N17O10S2 983.3603 NA PeJP NA NA +PJ115203 SSSSCNDER C34H57N13O19S 983.3615 NA PeJP NA NA +PJ115204 DDDDRYW C42H53N11O17 983.3621 NA PeJP NA NA +PJ115205 SCNNEMMR C35H61N13O14S3 983.3623 NA PeJP NA NA +PJ115206 GGSCNEMMR C35H61N13O14S3 983.3624 NA PeJP NA NA +PJ115207 GSSCQMWW C43H57N11O12S2 983.363 NA PeJP NA NA +PJ115208 GSSSSNEMW C39H57N11O17S 983.3655 NA PeJP NA NA +PJ115209 SDDEFWW C47H53N9O15 983.3661 NA PeJP NA NA +PJ115210 GDEEYWW C47H53N9O15 983.3662 NA PeJP NA NA +PJ115211 DDMMMRW C40H61N11O12S3 983.3664 NA PeJP NA NA +PJ115212 SSCNNHHW C40H53N15O13S 983.3668 NA PeJP NA NA +PJ115213 GGGGSSCHHW C40H53N15O13S 983.3669 NA PeJP NA NA +PJ115214 PCDMFWW C48H57N9O10S2 983.367 NA PeJP NA NA +PJ115215 GSSSSSSQEE C35H57N11O22 983.368 NA PeJP NA NA +PJ115216 SSDEEMMR C36H61N11O17S2 983.3689 NA PeJP NA NA +PJ115217 SSSSNNDHH C36H53N15O18 983.3693 NA PeJP NA NA +PJ115218 GGGGSSSSDHH C36H53N15O18 983.3694 NA PeJP NA NA +PJ115219 GSPDEMYW C44H57N9O15S 983.3695 NA PeJP NA NA +PJ115220 SPCEMMMR C37H65N11O12S4 983.3697 NA PeJP NA NA +PJ115221 GGGAAQMMMM C37H65N11O12S4 983.3698 NA PeJP NA NA +PJ115222 CCNNNNFR C37H57N15O13S2 983.3702 NA PeJP NA NA +PJ115223 AEMMMWW C45H61N9O10S3 983.3704 NA PeJP NA NA +PJ115224 SCEHHWW C45H53N13O11S 983.3709 NA PeJP NA NA +PJ115225 GTQEEEEY C40H57N9O20 983.372 NA PeJP NA NA +PJ115226 GTTEEMMW C41H61N9O15S2 983.3729 NA PeJP NA NA +PJ115227 SSSDEHHW C41H53N13O16 983.3734 NA PeJP NA NA +PJ115228 PCEFYYY C49H57N7O13S 983.3735 NA PeJP NA NA +PJ115229 SCCNDMRR C34H61N15O13S3 983.3736 NA PeJP NA NA +PJ115230 GPTMMMMW C42H65N9O10S4 983.3738 NA PeJP NA NA +PJ115231 GSSCCRWW C42H57N13O11S2 983.3742 NA PeJP NA NA +PJ115232 GGGAPPCCHW C42H57N13O11S2 983.3743 NA PeJP NA NA +PJ115233 GSTTTEEEM C37H61N9O20S 983.3754 NA PeJP NA NA +PJ115234 GKEEEMMM C38H65N9O15S3 983.3763 NA PeJP NA NA +PJ115235 GSSSSCDRW C38H57N13O16S 983.3767 NA PeJP NA NA +PJ115236 GGGGGDDMRY C38H57N13O16S 983.3768 NA PeJP NA NA +PJ115237 VDMMYYY C46H61N7O13S2 983.3769 NA PeJP NA NA +PJ115238 PVNMMMMM C39H69N9O10S5 983.3771 NA PeJP NA NA +PJ115239 SNNDYWW C46H53N11O14 983.3774 NA PeJP NA NA +PJ115240 GSCNMMRW C39H61N13O11S3 983.3776 NA PeJP NA NA +PJ115241 MMMMFFF C47H65N7O8S4 983.3778 NA PeJP NA NA +PJ115242 GNDMHHHH C39H53N17O12S 983.3781 NA PeJP NA NA +PJ115243 CNMHFFW C47H57N11O9S2 983.3783 NA PeJP NA NA +PJ115244 GSSSSSSDDR C34H57N13O21 983.3792 NA PeJP NA NA +PJ115245 GSSSNDMMR C35H61N13O16S2 983.3801 NA PeJP NA NA +PJ115246 GSNNNNNNH C35H53N17O17 983.3806 NA PeJP NA NA +PJ115247 SSSSNMWW C43H57N11O14S 983.3807 NA PeJP NA NA +PJ115248 GGSSSSMWW C43H57N11O14S 983.3808 NA PeJP NA NA +PJ115249 GNNMMMMR C36H65N13O11S4 983.381 NA PeJP NA NA +PJ115250 DEYWWW C51H53N9O12 983.3814 NA PeJP NA NA +PJ115251 GGSCCQHHR C36H57N17O12S2 983.3815 NA PeJP NA NA +PJ115252 CCQKMWW C44H61N11O9S3 983.3816 NA PeJP NA NA +PJ115253 SSSSSSQEW C39H57N11O19 983.3832 NA PeJP NA NA +PJ115254 GGSSSSSTEW C39H57N11O19 983.3833 NA PeJP NA NA +PJ115255 SSSQQMMW C40H61N11O14S2 983.3841 NA PeJP NA NA +PJ115256 GGGGGAAEMMF C40H61N11O14S2 983.3842 NA PeJP NA NA +PJ115257 GNNNNEHW C40H53N15O15 983.3846 NA PeJP NA NA +PJ115258 SPDMYWW C48H57N9O12S 983.3848 NA PeJP NA NA +PJ115259 PPCCMMFR C41H65N11O9S4 983.385 NA PeJP NA NA +PJ115260 CDMHHRW C41H57N15O10S2 983.3855 NA PeJP NA NA +PJ115261 SSSSNDKEM C36H61N11O19S 983.3866 NA PeJP NA NA +PJ115262 TQEEEYW C44H57N9O17 983.3873 NA PeJP NA NA +PJ115263 GTEEMMMR C37H65N11O14S3 983.3875 NA PeJP NA NA +PJ115264 SCNNNNRY C37H57N15O15S 983.388 NA PeJP NA NA +PJ115265 TTEMMWW C45H61N9O12S2 983.3881 NA PeJP NA NA +PJ115266 GAPEMMYW C45H61N9O12S2 983.3882 NA PeJP NA NA +PJ115267 GPMMMMMR C38H69N11O9S5 983.3884 NA PeJP NA NA +PJ115268 NDEHHFW C45H53N13O13 983.3886 NA PeJP NA NA +PJ115269 GTCCCRRW C38H61N15O10S3 983.3888 NA PeJP NA NA +PJ115270 GMMHHWW C46H57N13O8S2 983.3895 NA PeJP NA NA +PJ115271 STTTEEMW C41H61N9O17S 983.3906 NA PeJP NA NA +PJ115272 GVQEEEMY C41H61N9O17S 983.3907 NA PeJP NA NA +PJ115273 SPEYYYY C49H57N7O15 983.3913 NA PeJP NA NA +PJ115274 KEEMMMW C42H65N9O12S3 983.3915 NA PeJP NA NA +PJ115275 CNNERYW C42H57N13O13S 983.392 NA PeJP NA NA +PJ115276 GCCQMMRR C35H65N15O10S4 983.3922 NA PeJP NA NA +PJ115277 CCCKRWW C43H61N13O8S3 983.3929 NA PeJP NA NA +PJ115278 SSTTTTEEE C37H61N9O22 983.3931 NA PeJP NA NA +PJ115279 CQHHHHW C43H53N17O9S 983.3933 NA PeJP NA NA +PJ115280 STKEEEMM C38H65N9O17S2 983.394 NA PeJP NA NA +PJ115281 SSNNDERY C38H57N13O18 983.3945 NA PeJP NA NA +PJ115282 SPKEMMMM C39H69N9O12S4 983.3949 NA PeJP NA NA +PJ115283 SPCCQQRY C39H61N13O13S2 983.3953 NA PeJP NA NA +PJ115284 SSSCQMRW C39H61N13O13S2 983.3954 NA PeJP NA NA +PJ115285 VMMMFYY C47H65N7O10S3 983.3955 NA PeJP NA NA +PJ115286 SSNEHHHH C39H53N17O14 983.3958 NA PeJP NA NA +PJ115287 GGGGPNDHHH C39H53N17O14 983.3959 NA PeJP NA NA +PJ115288 GNQMYWW C47H57N11O11S 983.396 NA PeJP NA NA +PJ115289 SSSSSNEMR C35H61N13O18S 983.3979 NA PeJP NA NA +PJ115290 GSSSSSTWW C43H57N11O16 983.3985 NA PeJP NA NA +PJ115291 SSNQMMMR C36H65N13O13S3 983.3987 NA PeJP NA NA +PJ115292 GGGGGSCCKKM C36H65N13O13S3 983.3988 NA PeJP NA NA +PJ115293 GSSSCNHHR C36H57N17O14S 983.3992 NA PeJP NA NA +PJ115294 GSSCKMWW C44H61N11O11S2 983.3994 NA PeJP NA NA +PJ115295 NNNNHWW C44H53N15O12 983.3998 NA PeJP NA NA +PJ115296 GGNNNHWW C44H53N15O12 983.3999 NA PeJP NA NA +PJ115297 EMFWWW C52H57N9O9S 983.4 NA PeJP NA NA +PJ115298 GSSSSDKMW C40H61N11O16S 983.4019 NA PeJP NA NA +PJ115299 ATEEYWW C48H57N9O14 983.4025 NA PeJP NA NA +PJ115300 TEMMMRW C41H65N11O11S3 983.4028 NA PeJP NA NA +PJ115301 GPCNDHRW C41H57N15O12S 983.4032 NA PeJP NA NA +PJ115302 GGGGGGAMHHF C41H57N15O12S 983.4033 NA PeJP NA NA +PJ115303 APMMYWW C49H61N9O9S2 983.4034 NA PeJP NA NA +PJ115304 GCCCMRRR C34H65N17O9S4 983.4035 NA PeJP NA NA +PJ115305 GDHHFWW C49H53N13O10 983.4039 NA PeJP NA NA +PJ115306 GSSSSSSKEE C36H61N11O21 983.4044 NA PeJP NA NA +PJ115307 GSTTTQQMM C37H65N11O16S2 983.4052 NA PeJP NA NA +PJ115308 STTEEMMR C37H65N11O16S2 983.4053 NA PeJP NA NA +PJ115309 GNNEEEHR C37H57N15O17 983.4057 NA PeJP NA NA +PJ115310 GGGGGEEEHR C37H57N15O17 983.4058 NA PeJP NA NA +PJ115311 VQEEMYW C45H61N9O14S 983.4059 NA PeJP NA NA +PJ115312 GVEMMMMR C38H69N11O11S4 983.4061 NA PeJP NA NA +PJ115313 SSSCCRRW C38H61N15O12S2 983.4066 NA PeJP NA NA +PJ115314 SLMMMWW C46H65N9O9S3 983.4068 NA PeJP NA NA +PJ115315 GCNRYWW C46H57N13O10S 983.4072 NA PeJP NA NA +PJ115316 GGGCRYWW C46H57N13O10S 983.4073 NA PeJP NA NA +PJ115317 GTKEEEEY C41H61N9O19 983.4084 NA PeJP NA NA +PJ115318 SSSSSCDRR C34H61N15O17S 983.4091 NA PeJP NA NA +PJ115319 SSTLEMMW C42H65N9O14S2 983.4093 NA PeJP NA NA +PJ115320 GSSNDRYW C42H57N13O15 983.4097 NA PeJP NA NA +PJ115321 GGGSSDRYW C42H57N13O15 983.4098 NA PeJP NA NA +PJ115322 PCLYYYY C50H61N7O12S 983.4099 NA PeJP NA NA +PJ115323 SSCNMMRR C35H65N15O12S3 983.41 NA PeJP NA NA +PJ115324 AALMMMMW C43H69N9O9S4 983.4102 NA PeJP NA NA +PJ115325 CNQMFRW C43H61N13O10S2 983.4106 NA PeJP NA NA +PJ115326 GSSHHHHW C43H53N17O11 983.4111 NA PeJP NA NA +PJ115327 CHHFFFF C51H57N11O8S 983.4113 NA PeJP NA NA +PJ115328 SSSTTLEEM C38H65N9O19S 983.4118 NA PeJP NA NA +PJ115329 SVKEEMMM C39H69N9O14S3 983.4126 NA PeJP NA NA +PJ115330 VTDKEMMM C39H69N9O14S3 983.4127 NA PeJP NA NA +PJ115331 GSSSSSMRW C39H61N13O15S 983.4131 NA PeJP NA NA +PJ115332 GGGGGGGGSPPPM C39H61N13O15S 983.4132 NA PeJP NA NA +PJ115333 TLMMYYY C47H65N7O12S2 983.4133 NA PeJP NA NA +PJ115334 PCLKMMMM C40H73N9O9S5 983.4135 NA PeJP NA NA +MJ099110 Onitis Adipokinetic peptide CC I C47H57N11O13 983.41373 NA MeJP NA NA +PJ115335 SSQQYWW C47H57N11O13 983.4138 NA PeJP NA NA +PJ115336 GTCCKMRW C40H65N13O10S3 983.414 NA PeJP NA NA +PJ115337 GCNNHHFR C40H57N17O11S 983.4145 NA PeJP NA NA +PJ115338 PPMMHWW C48H61N11O8S2 983.4146 NA PeJP NA NA +PJ115339 GSSSSSSTER C35H61N13O20 983.4156 NA PeJP NA NA +PJ115340 GSSSTQMMR C36H65N13O15S2 983.4165 NA PeJP NA NA +PJ115341 GNDDDHRR C36H57N17O16 983.417 NA PeJP NA NA +PJ115342 SSSTCKWW C44H61N11O13S 983.4171 NA PeJP NA NA +PJ115343 GGGGGSLMYW C44H61N11O13S 983.4172 NA PeJP NA NA +PJ115344 EMMMMRR C37H69N13O10S4 983.4174 NA PeJP NA NA +PJ115345 GPEFYWW C52H57N9O11 983.4178 NA PeJP NA NA +PJ115346 CCKKMWW C45H65N11O8S3 983.418 NA PeJP NA NA +PJ115347 APPCHHHW C45H57N15O9S 983.4185 NA PeJP NA NA +PJ115348 SSSSSSKEW C40H61N11O18 983.4196 NA PeJP NA NA +PJ115349 GGGGSTKEEY C40H61N11O18 983.4197 NA PeJP NA NA +PJ115350 SSSQKMMW C41H65N11O13S2 983.4205 NA PeJP NA NA +PJ115351 NNEEHRW C41H57N15O14 983.421 NA PeJP NA NA +PJ115352 GLEMYWW C49H61N9O11S 983.4212 NA PeJP NA NA +PJ115353 VMMMMRW C42H69N11O8S4 983.4214 NA PeJP NA NA +PJ115354 CCNFRRW C42H61N15O9S2 983.4219 NA PeJP NA NA +PJ115355 SSSSTQKEM C37H65N11O18S 983.423 NA PeJP NA NA +PJ115356 SSSSKYYY C45H61N9O16 983.4236 NA PeJP NA NA +PJ115357 TKEEEYW C45H61N9O16 983.4237 NA PeJP NA NA +PJ115358 SSLEMMMR C38H69N11O13S3 983.4239 NA PeJP NA NA +PJ115359 SPCQQEHR C38H61N15O14S 983.4243 NA PeJP NA NA +PJ115360 GSCNERRY C38H61N15O14S 983.4244 NA PeJP NA NA +PJ115361 PKEMMYW C46H65N9O11S2 983.4245 NA PeJP NA NA +PJ115362 AQQEHWW C46H57N13O12 983.425 NA PeJP NA NA +PJ115363 AAMMMHHR C39H65N15O9S3 983.4252 NA PeJP NA NA +PJ115364 GTCHHHHR C39H57N19O10S 983.4257 NA PeJP NA NA +PJ115365 GVKEEEMY C42H65N9O16S 983.427 NA PeJP NA NA +PJ115366 PPPVVDDDM C42H65N9O16S 983.4271 NA PeJP NA NA +PJ115367 ALEYYYY C50H61N7O14 983.4277 NA PeJP NA NA +PJ115368 ATTLMMMW C43H69N9O11S3 983.4279 NA PeJP NA NA +PJ115369 SNQMRYW C43H61N13O12S 983.4284 NA PeJP NA NA +PJ115370 VMMFFFY C51H65N7O9S2 983.4286 NA PeJP NA NA +PJ115371 GNQFFWW C51H57N11O10 983.429 NA PeJP NA NA +PJ115372 TTTTTTTEE C38H65N9O21 983.4295 NA PeJP NA NA +PJ115373 CKHHHHW C44H57N17O8S 983.4297 NA PeJP NA NA +PJ115374 SSSSLLEMM C39H69N9O16S2 983.4304 NA PeJP NA NA +PJ115375 SSSSSSTRW C39H61N13O17 983.4309 NA PeJP NA NA +PJ115376 ALKEMMMM C40H73N9O11S4 983.4313 NA PeJP NA NA +PJ115377 SSSCKMRW C40H65N13O12S2 983.4317 NA PeJP NA NA +PJ115378 GGGGGVMMRY C40H65N13O12S2 983.4318 NA PeJP NA NA +PJ115379 GSNNNHRW C40H57N17O13 983.4322 NA PeJP NA NA +PJ115380 GNKMYWW C48H61N11O10S 983.4324 NA PeJP NA NA +PJ115381 PFYWWW C56H57N9O8 983.433 NA PeJP NA NA +PJ115382 SSSSSDKMR C36H65N13O17S 983.4342 NA PeJP NA NA +PJ115383 GGGSSSSSCKK C36H65N13O17S 983.4343 NA PeJP NA NA +PJ115384 TTEERYW C44H61N11O15 983.4349 NA PeJP NA NA +PJ115385 SSNKMMMR C37H69N13O12S3 983.4351 NA PeJP NA NA +PJ115386 SPCNDHRR C37H61N17O13S 983.4356 NA PeJP NA NA +PJ115387 PTMMRYW C45H65N11O10S2 983.4358 NA PeJP NA NA +PJ115388 GNEHRWW C45H57N15O11 983.4362 NA PeJP NA NA +PJ115389 GGGEHRWW C45H57N15O11 983.4363 NA PeJP NA NA +PJ115390 LMYWWW C53H61N9O8S 983.4364 NA PeJP NA NA +PJ115391 GSSSTTKMW C41H65N11O15S 983.4383 NA PeJP NA NA +MJ099111 Desglugastrin C49H61N9O13 983.438883 NA MeJP NA NA +PJ115392 STLEYWW C49H61N9O13 983.4389 NA PeJP NA NA +PJ115393 GTCKKMMW C42H69N11O10S3 983.4391 NA PeJP NA NA +PJ115394 GAPCCKKMF C42H69N11O10S3 983.4392 NA PeJP NA NA +PJ115395 SCNRRYW C42H61N15O11S 983.4396 NA PeJP NA NA +PJ115396 ALMMFWW C50H65N9O8S2 983.4398 NA PeJP NA NA +PJ115397 AAQHWWW C50H57N13O9 983.4403 NA PeJP NA NA +PJ115398 SSSSVTTTTN C37H65N11O20 983.4407 NA PeJP NA NA +PJ115399 GSSSSTTTKE C37H65N11O20 983.4408 NA PeJP NA NA +PJ115400 GSSSKKEMM C38H69N11O15S2 983.4416 NA PeJP NA NA +PJ115401 SSSNDRRY C38H61N15O16 983.4421 NA PeJP NA NA +PJ115402 GGGGGGGGGGGPLQ C38H61N15O16 983.4422 NA PeJP NA NA +PJ115403 VKEEMYW C46H65N9O13S 983.4423 NA PeJP NA NA +PJ115404 ATLMMMMR C39H73N11O10S4 983.4425 NA PeJP NA NA +PJ115405 PTFFFYY C54H61N7O11 983.4429 NA PeJP NA NA +PJ115406 NNMMRRY C39H65N15O11S2 983.443 NA PeJP NA NA +PJ115407 SSSHHHHR C39H57N19O12 983.4435 NA PeJP NA NA +PJ115408 PCQKHWW C47H61N13O9S 983.4436 NA PeJP NA NA +PJ115409 SSLKEEEY C42H65N9O18 983.4448 NA PeJP NA NA +PJ115410 SSSSSSMRR C35H65N15O16S 983.4455 NA PeJP NA NA +PJ115411 TTTTLMMW C43H69N9O13S2 983.4457 NA PeJP NA NA +PJ115412 GSSTQRYW C43H61N13O14 983.4461 NA PeJP NA NA +PJ115413 GGGGATLEHW C43H61N13O14 983.4462 NA PeJP NA NA +PJ115414 VVMFYYY C51H65N7O11S 983.4463 NA PeJP NA NA +PJ115415 STCCKMRR C36H69N15O11S3 983.4464 NA PeJP NA NA +PJ115416 GCNNQHRR C36H61N19O12S 983.4468 NA PeJP NA NA +PJ115417 GGGGGGACHRR C36H61N19O12S 983.4469 NA PeJP NA NA +PJ115418 CNKMFRW C44H65N13O9S2 983.447 NA PeJP NA NA +PJ115419 PDHHHRW C44H57N17O10 983.4475 NA PeJP NA NA +PJ115420 STTTTTLEM C39H69N9O18S 983.4481 NA PeJP NA NA +PJ115421 VTTTTTTEM C39H69N9O18S 983.4482 NA PeJP NA NA +PJ115422 TTLKEMMM C40H73N9O13S3 983.449 NA PeJP NA NA +PJ115423 TEEMRRY C40H65N13O14S 983.4495 NA PeJP NA NA +PJ115424 SSQKYWW C48H61N11O12 983.4501 NA PeJP NA NA +PJ115425 GGSTKYWW C48H61N11O12 983.4502 NA PeJP NA NA +PJ115426 PMMMRRY C41H69N13O9S3 983.4504 NA PeJP NA NA +PJ115427 CEHHFRR C41H61N17O10S 983.4508 NA PeJP NA NA +PJ115428 PPTCHHHR C41H61N17O10S 983.4509 NA PeJP NA NA +PJ115429 NHRWWW C49H57N15O8 983.4515 NA PeJP NA NA +PJ115430 SSSSSSSSLR C36H65N13O19 983.452 NA PeJP NA NA +PJ115431 GSSSTKMMR C37H69N13O14S2 983.4529 NA PeJP NA NA +PJ115432 SNNNDKHR C37H61N17O15 983.4533 NA PeJP NA NA +PJ115433 GSNEEHRR C37H61N17O15 983.4534 NA PeJP NA NA +PJ115434 SLEMRYW C45H65N11O12S 983.4535 NA PeJP NA NA +PJ115435 GGGGGAALMFF C45H65N11O12S 983.4536 NA PeJP NA NA +PJ115436 GCKKMMMR C38H73N13O9S4 983.4537 NA PeJP NA NA +PJ115437 CCCLKKMR C38H73N13O9S4 983.4538 NA PeJP NA NA +PJ115438 GPLYYWW C53H61N9O10 983.4542 NA PeJP NA NA +PJ115439 AMHHFRW C46H61N15O8S 983.4549 NA PeJP NA NA +PJ115440 SSSSTTTKW C41H65N11O17 983.456 NA PeJP NA NA +PJ115441 GGAAPPKEEE C41H65N11O17 983.4561 NA PeJP NA NA +PJ115442 SSSKKMMW C42H69N11O12S2 983.4569 NA PeJP NA NA +PJ115443 NDKEHRW C42H61N15O13 983.4574 NA PeJP NA NA +PJ115444 SVLMYWW C50H65N9O10S 983.4575 NA PeJP NA NA +PJ115445 GAPLMFYW C50H65N9O10S 983.4576 NA PeJP NA NA +PJ115446 NHHHHFR C43H57N19O9 983.4587 NA PeJP NA NA +PJ115447 SSSSTKKEM C38H69N11O17S 983.4594 NA PeJP NA NA +PJ115448 SSSLLEYW C46H65N9O15 983.46 NA PeJP NA NA +PJ115449 PPVVEEEW C46H65N9O15 983.4601 NA PeJP NA NA +PJ115450 TTTLMMMR C39H73N11O12S3 983.4603 NA PeJP NA NA +PJ115451 GSSQMRRY C39H65N15O13S 983.4607 NA PeJP NA NA +PJ115452 GSPPPCDRR C39H65N15O13S 983.4608 NA PeJP NA NA +PJ115453 LLQMMYW C47H69N9O10S2 983.4609 NA PeJP NA NA +PJ115454 PPNERWW C47H61N13O11 983.4614 NA PeJP NA NA +PJ115455 VMFFFFF C55H65N7O8S 983.4616 NA PeJP NA NA +PJ115456 ATLKEEMY C43H69N9O15S 983.4634 NA PeJP NA NA +PJ115457 SLLYYYY C51H65N7O13 983.4641 NA PeJP NA NA +PJ115458 APLKMMMY C44H73N9O10S3 983.4643 NA PeJP NA NA +PJ115459 SSNNNHRR C36H61N19O14 983.4646 NA PeJP NA NA +PJ115460 SNKMRYW C44H65N13O11S 983.4647 NA PeJP NA NA +PJ115461 GGSKMRYW C44H65N13O11S 983.4648 NA PeJP NA NA +PJ115462 PPVNWWW C52H61N11O9 983.4654 NA PeJP NA NA +PJ115463 GPCCHRRR C37H65N19O9S2 983.4655 NA PeJP NA NA +PJ115464 SSTTTLLMM C40H73N9O15S2 983.4668 NA PeJP NA NA +PJ115465 STTTQQRY C40H65N13O16 983.4672 NA PeJP NA NA +PJ115466 SSSQKERY C40H65N13O16 983.4673 NA PeJP NA NA +PJ115467 SLLKMMMM C41H77N9O10S4 983.4677 NA PeJP NA NA +PJ115468 VEMMRRY C41H69N13O11S2 983.4681 NA PeJP NA NA +PJ115469 GGAAPPPMMR C41H69N13O11S2 983.4682 NA PeJP NA NA +PJ115470 SNEHRRW C41H61N17O12 983.4686 NA PeJP NA NA +PJ115471 ACKKYWW C49H65N11O9S 983.4688 NA PeJP NA NA +PJ115472 LFFWWW C57H61N9O7 983.4694 NA PeJP NA NA +PJ115473 SSSSTTKMR C37H69N13O16S 983.4706 NA PeJP NA NA +PJ115474 GSSKKEYW C45H65N11O14 983.4713 NA PeJP NA NA +PJ115475 STCKKMMR C38H73N13O11S3 983.4715 NA PeJP NA NA +PJ115476 GSSCRRRY C38H65N17O12S 983.472 NA PeJP NA NA +PJ115477 NKKMMFW C46H69N11O9S2 983.4721 NA PeJP NA NA +PJ115478 VVMMRYW C46H69N11O9S2 983.4722 NA PeJP NA NA +PJ115479 GDKHRWW C46H61N15O10 983.4726 NA PeJP NA NA +PJ115480 ATTLEMRY C42H69N11O14S 983.4746 NA PeJP NA NA +PJ115481 SSVLEMRY C42H69N11O14S 983.4747 NA PeJP NA NA +PJ115482 PVKEYYW C50H65N9O12 983.4753 NA PeJP NA NA +PJ115483 GVLMMMFR C43H73N11O9S3 983.4755 NA PeJP NA NA +PJ115484 VQQMHRW C43H65N15O10S 983.476 NA PeJP NA NA +PJ115485 GPPRWWW C51H61N13O8 983.4767 NA PeJP NA NA +PJ115486 SSSSSSTTLK C38H69N11O19 983.4771 NA PeJP NA NA +PJ115487 GSTTTKKMM C39H73N11O14S2 983.478 NA PeJP NA NA +PJ115488 SSSTQRRY C39H65N15O15 983.4785 NA PeJP NA NA +PJ115489 GTTLLMYW C47H69N9O12S 983.4787 NA PeJP NA NA +PJ115490 GKKKMMMM C40H77N11O9S4 983.4789 NA PeJP NA NA +PJ115491 VVFFFYY C55H65N7O10 983.4793 NA PeJP NA NA +PJ115492 CQKMRRY C40H69N15O10S2 983.4794 NA PeJP NA NA +PJ115493 AAQQHHHR C40H61N19O11 983.4798 NA PeJP NA NA +PJ115494 GGGVQHHHR C40H61N19O11 983.4799 NA PeJP NA NA +PJ115495 PCKKHWW C48H65N13O8S 983.48 NA PeJP NA NA +PJ115496 TTTLKEEY C43H69N9O17 983.4812 NA PeJP NA NA +PJ115497 PTTLKMMY C44H73N9O12S2 983.482 NA PeJP NA NA +PJ115498 GLLKEMMY C44H73N9O12S2 983.4821 NA PeJP NA NA +PJ115499 GSSTKRYW C44H65N13O13 983.4825 NA PeJP NA NA +PJ115500 GGGGGGGGPLLW C44H65N13O13 983.4826 NA PeJP NA NA +PJ115501 NDMHRRR C37H65N19O11S 983.4832 NA PeJP NA NA +PJ115502 PMMFFRR C45H69N13O8S2 983.4834 NA PeJP NA NA +PJ115503 GSHRRWW C45H61N17O9 983.4839 NA PeJP NA NA +PJ115504 GSDKKMRY C41H69N13O13S 983.4859 NA PeJP NA NA +PJ115505 SSKKYWW C49H65N11O11 983.4865 NA PeJP NA NA +PJ115506 AAPPKEWW C49H65N11O11 983.4866 NA PeJP NA NA +PJ115507 LMMMFRR C42H73N13O8S3 983.4868 NA PeJP NA NA +PJ115508 AQMHRRW C42H65N17O9S 983.4872 NA PeJP NA NA +PJ115509 GSDKEHRR C38H65N17O14 983.4897 NA PeJP NA NA +PJ115510 GGGGAPQERR C38H65N17O14 983.4898 NA PeJP NA NA +PJ115511 TQKKMYW C46H69N11O11S 983.4899 NA PeJP NA NA +PJ115512 GLLFYWW C54H65N9O9 983.4906 NA PeJP NA NA +PJ115513 NQHHHRR C39H61N21O10 983.4911 NA PeJP NA NA +PJ115514 TTTTLERY C42H69N11O16 983.4924 NA PeJP NA NA +PJ115515 GTLLMMRY C43H73N11O11S2 983.4933 NA PeJP NA NA +PJ115516 TQKEHRW C43H65N15O12 983.4937 NA PeJP NA NA +PJ115517 GSPPERRW C43H65N15O12 983.4938 NA PeJP NA NA +PJ115518 PLKMFYW C51H69N9O9S 983.4939 NA PeJP NA NA +MJ099112 Liposidomycin; Liposidomycin K-I, 12,13-Dihydro, desulfo C46H73N5O18 983.49506 NA MeJP NA NA +PJ115519 SSTTTTKKM C39H73N11O16S 983.4958 NA PeJP NA NA +PJ115520 STTTLLYW C47H69N9O14 983.4964 NA PeJP NA NA +PJ115521 GPPPLLDEF C47H69N9O14 983.4965 NA PeJP NA NA +PJ115522 STKKKMMM C40H77N11O11S3 983.4967 NA PeJP NA NA +PJ115523 GSSKMRRY C40H69N15O12S 983.4971 NA PeJP NA NA +PJ115524 GGGGGAPPKMR C40H69N15O12S 983.4972 NA PeJP NA NA +PJ115525 LLKMMYW C48H73N9O9S2 983.4973 NA PeJP NA NA +PJ115526 PPDKRWW C48H65N13O10 983.4978 NA PeJP NA NA +PJ115527 ACHRRRW C41H65N19O8S 983.4985 NA PeJP NA NA +7854 NA YGGFMRRV~ 983.4994 ACE inhibitor Inhouse_peptide NA peptide +PJ115528 STLLKEMY C44H73N9O14S 983.4998 NA PeJP NA NA +PJ115529 ALLKMMMF C45H77N9O9S3 983.5007 NA PeJP NA NA +PJ115530 GSSEHRRR C37H65N19O13 983.501 NA PeJP NA NA +PJ115531 TCKKRYW C45H69N13O10S 983.5011 NA PeJP NA NA +PJ115532 LLEMHRW C45H69N13O10S 983.5012 NA PeJP NA NA +PJ115533 PVLHFWW C53H65N11O8 983.5018 NA PeJP NA NA +PJ115534 SSSKKERY C41H69N13O15 983.5036 NA PeJP NA NA +PJ115535 STLLEEHR C41H69N13O15 983.5037 NA PeJP NA NA +PJ115536 QKKMMRY C42H73N13O10S2 983.5045 NA PeJP NA NA +PJ115537 SDKHRRW C42H65N17O11 983.505 NA PeJP NA NA +PJ115538 VLLMHWW C50H69N11O8S 983.5052 NA PeJP NA NA +PJ115539 GTTTKKYW C46H69N11O13 983.5077 NA PeJP NA NA +PJ115540 GPPDMRRR C39H69N17O11S 983.5084 NA PeJP NA NA +MJ099113 N-Acetylnorleucylglutaminylhistidyl-D-phenylalanylarginyl-D-tryptophylglycinamide C47H65N15O9 983.508968 NA MeJP NA NA +PJ115541 SPPRRWW C47H65N15O9 983.509 NA PeJP NA NA +PJ115542 STTLLMRY C43H73N11O13S 983.511 NA PeJP NA NA +PJ115543 PPLLEEMR C43H73N11O13S 983.5111 NA PeJP NA NA +PJ115544 VLLQYYW C51H69N9O11 983.5117 NA PeJP NA NA +MJ099114 Adrenorphin C44H69N15O9S 983.512339 NA MeJP NA NA +PJ115545 AAPPMRRW C44H69N15O9S 983.5124 NA PeJP NA NA +PJ115546 SSSTKRRY C40H69N15O14 983.5149 NA PeJP NA NA +PJ115547 PPVLLEMW C48H73N9O11S 983.5151 NA PeJP NA NA +PJ115548 CKKMRRY C41H73N15O9S2 983.5158 NA PeJP NA NA +PJ115549 SSHRRRW C41H65N19O10 983.5162 NA PeJP NA NA +PJ115550 ATTTTTLLY C44H73N9O16 983.5175 NA PeJP NA NA +PJ115551 SSSTTLLLY C44H73N9O16 983.5176 NA PeJP NA NA +PJ115552 SVLLKMMY C45H77N9O11S2 983.5184 NA PeJP NA NA +PJ115553 APPTKERW C45H69N13O12 983.5189 NA PeJP NA NA +PJ115554 TQMHRRR C38H69N19O10S 983.5196 NA PeJP NA NA +PJ115555 VLHHHRW C46H65N17O8 983.5202 NA PeJP NA NA +PJ115556 GTTKKMRY C42H73N13O12S 983.5223 NA PeJP NA NA +PJ115557 GPPTLKWW C50H69N11O10 983.5229 NA PeJP NA NA +PJ115558 AKMHRRW C43H69N17O8S 983.5236 NA PeJP NA NA +PJ115559 AAPEERRR C39H69N17O13 983.5261 NA PeJP NA NA +PJ115560 GGGGGGGGPKKR C39H69N17O13 983.5262 NA PeJP NA NA +PJ115561 TKKKMYW C47H73N11O10S 983.5263 NA PeJP NA NA +PJ115562 PLKFFFW C55H69N9O8 983.527 NA PeJP NA NA +PJ115563 NKHHHRR C40H65N21O9 983.5275 NA PeJP NA NA +PJ115564 STTKKKEY C43H73N11O15 983.5288 NA PeJP NA NA +PJ115565 GVKKKMMY C44H77N11O10S2 983.5297 NA PeJP NA NA +PJ115566 PLQERRW C44H69N15O11 983.5301 NA PeJP NA NA +PJ115567 GAPLERRW C44H69N15O11 983.5302 NA PeJP NA NA +PJ115568 LLKMFFW C52H73N9O8S 983.5303 NA PeJP NA NA +PJ115569 TCHRRRR C37H69N21O9S 983.5308 NA PeJP NA NA +PJ115570 PVVLLEEW C48H73N9O13 983.5328 NA PeJP NA NA +PJ115571 APPKEMRR C41H73N15O11S 983.5335 NA PeJP NA NA +PJ115572 PVLQRWW C49H69N13O9 983.5342 NA PeJP NA NA +PJ115573 APPTLLLEM C45H77N9O13S 983.5362 NA PeJP NA NA +PJ115574 PDERRRR C38H69N19O12 983.5374 NA PeJP NA NA +PJ115575 GPPLKMRW C46H73N13O9S 983.5375 NA PeJP NA NA +PJ115576 STTTKKRY C42H73N13O14 983.54 NA PeJP NA NA +PJ115577 GGPVLKEER C42H73N13O14 983.5401 NA PeJP NA NA +PJ115578 KKKMMRY C43H77N13O9S2 983.5409 NA PeJP NA NA +PJ115579 PVDRRRW C43H69N17O10 983.5414 NA PeJP NA NA +PJ115580 TTTLLLHW C47H73N11O12 983.5441 NA PeJP NA NA +PJ115581 APPTMRRR C40H73N17O10S 983.5448 NA PeJP NA NA +PJ115582 APLRRWW C48H69N15O8 983.5454 NA PeJP NA NA +PJ115583 SSLKKKMY C44H77N11O12S 983.5474 NA PeJP NA NA +PJ115584 GGGGGPLLLLM C44H77N11O12S 983.5475 NA PeJP NA NA +PJ115585 VLLKYYW C52H73N9O10 983.5481 NA PeJP NA NA +PJ115586 VKKMHRW C45H73N15O8S 983.5488 NA PeJP NA NA +PJ115587 GPLKEERR C41H73N15O13 983.5513 NA PeJP NA NA +PJ115588 GLLLKMFY C49H77N9O10S 983.5515 NA PeJP NA NA +PJ115589 VNHFRRR C42H69N19O9 983.5526 NA PeJP NA NA +PJ115590 GPTLLLLEE C45H77N9O15 983.554 NA PeJP NA NA +PJ115591 GPPLLLLMM C46H81N9O10S2 983.5548 NA PeJP NA NA +PJ115592 GPVLKERW C46H73N13O11 983.5553 NA PeJP NA NA +PJ115593 TKMHRRR C39H73N19O9S 983.556 NA PeJP NA NA +PJ115594 TTLLLMHR C43H77N13O11S 983.5587 NA PeJP NA NA +PJ115595 AAPLLKWW C51H73N11O9 983.5593 NA PeJP NA NA +PJ115596 GPTLERRR C40H73N17O12 983.5625 NA PeJP NA NA +PJ115597 PPVVKKMW C48H77N11O9S 983.5627 NA PeJP NA NA +PJ115598 GHFRRRR C41H69N21O8 983.5639 NA PeJP NA NA +PJ115599 SSTTLLLLH C44H77N11O14 983.5652 NA PeJP NA NA +PJ115600 VLLLKMMH C45H81N11O9S2 983.5661 NA PeJP NA NA +MJ099115 Plumbomycin A C47H85NO20 983.566494 NA MeJP NA NA +PJ115601 PLKERRW C45H73N15O10 983.5665 NA PeJP NA NA +PJ115602 PTLLLLEW C49H77N9O12 983.5692 NA PeJP NA NA +PJ115603 SPPLKMRR C42H77N15O10S 983.5699 NA PeJP NA NA +PJ115604 PVLKRWW C50H73N13O8 983.5706 NA PeJP NA NA +PJ115605 GPVLLLLEM C46H81N9O12S 983.5726 NA PeJP NA NA +PJ115606 GSPQKRRR C39H73N19O11 983.5737 NA PeJP NA NA +PJ115607 GGGPTKRRR C39H73N19O11 983.5738 NA PeJP NA NA +PJ115608 KKKMFFR C47H77N13O8S 983.5739 NA PeJP NA NA +PJ115609 PVVKKEER C43H77N13O13 983.5764 NA PeJP NA NA +PJ115610 GGGGGGGVLLLK C43H77N13O13 983.5765 NA PeJP NA NA +PJ115611 PTLRRRW C44H73N17O9 983.5778 NA PeJP NA NA +PJ115612 APLLKKEW C48H77N11O11 983.5804 NA PeJP NA NA +PJ115613 PVVVKKEW C48H77N11O11 983.5805 NA PeJP NA NA +PJ115614 GPVLMRRR C41H77N17O9S 983.5811 NA PeJP NA NA +PJ115615 PLLLLEMR C45H81N11O11S 983.5838 NA PeJP NA NA +PJ115616 PPVLLLFW C53H77N9O9 983.5845 NA PeJP NA NA +PJ115617 VNQRRRR C38H73N21O10 983.585 NA PeJP NA NA +PJ115618 SPVLKERR C42H77N15O12 983.5877 NA PeJP NA NA +PJ115619 PVLLLLMW C50H81N9O9S 983.5878 NA PeJP NA NA +PJ115620 PPFRRRR C43H73N19O8 983.589 NA PeJP NA NA +PJ115621 AAILLLLEE C46H81N9O14 983.5903 NA PeJP NA NA +PJ115622 AALLLLLEE C46H81N9O14 983.5904 NA PeJP NA NA +PJ115623 APTLLKRW C47H77N13O10 983.5917 NA PeJP NA NA +PJ115624 PLMRRRR C40H77N19O8S 983.5924 NA PeJP NA NA +PJ115625 PVLLQKMR C44H81N13O10S 983.5951 NA PeJP NA NA +2958 maiganin related peptide PGLA GMASKAGAIAGKIAKVALKAL~ 983.5952 MH2+ Inhouse_peptide NA peptide +PJ115626 GQRRRRR C37H73N23O9 983.5962 NA PeJP NA NA +PJ115627 AALLERRR C41H77N17O11 983.5989 NA PeJP NA NA +PJ115628 VLLLLEER C45H81N11O13 983.6016 NA PeJP NA NA +PJ115629 LLLQRRW C46H77N15O9 983.6029 NA PeJP NA NA +PJ115630 VVLLLLEW C50H81N9O11 983.6056 NA PeJP NA NA +PJ115631 APLLKMRR C43H81N15O9S 983.6063 NA PeJP NA NA +PJ115632 APTLLLLLM C47H85N9O11S 983.609 NA PeJP NA NA +PJ115633 VLERRRR C40H77N19O10 983.6101 NA PeJP NA NA +PJ115634 PTLLKKER C44H81N13O12 983.6128 NA PeJP NA NA +PJ115635 VVLRRRW C45H77N17O8 983.6141 NA PeJP NA NA +PJ115636 SPLLLKKW C49H81N11O10 983.6168 NA PeJP NA NA +PJ115637 AAPLLLKKM C46H85N11O10S 983.6202 NA PeJP NA NA +PJ115638 VNKRRRR C39H77N21O9 983.6214 NA PeJP NA NA +PJ115639 GLLLKERR C43H81N15O11 983.624 NA PeJP NA NA +PJ115640 ALLLDKRR C43H81N15O11 983.6241 NA PeJP NA NA +PJ115641 GTLLLLLLE C47H85N9O13 983.6267 NA PeJP NA NA +PJ115642 GVLLLKRW C48H81N13O9 983.6281 NA PeJP NA NA +PJ115643 PVLLKKMR C45H85N13O9S 983.6314 NA PeJP NA NA +PJ115644 GKRRRRR C38H77N23O8 983.6326 NA PeJP NA NA +PJ115645 GTLLLRRR C42H81N17O10 983.6353 NA PeJP NA NA +PJ115646 LLLLQKKE C46H85N11O12 983.638 NA PeJP NA NA +PJ115647 LLLKRRW C47H81N15O8 983.6393 NA PeJP NA NA +PJ115648 TLLLLLLW C51H85N9O10 983.642 NA PeJP NA NA +PJ115649 GVLLLLLLM C48H89N9O10S 983.6454 NA PeJP NA NA +PJ115650 LQKKRRR C41H81N19O9 983.6465 NA PeJP NA NA +PJ115651 VVLLKKER C45H85N13O11 983.6492 NA PeJP NA NA +PJ115652 ALLLLKKW C50H85N11O9 983.6532 NA PeJP NA NA +PJ115653 LLLLLLMR C47H89N11O9S 983.6566 NA PeJP NA NA +3056 NA GKVLKKRR 983.657 celiac toxic Inhouse_peptide NA peptide +7772 ACTH-like peptide GKVLKKRR 983.657 antioxidative Inhouse_peptide NA peptide +PJ115654 SVLLLKRR C44H85N15O10 983.6604 NA PeJP NA NA +PJ115655 SSLLLLLLL C48H89N9O12 983.6631 NA PeJP NA NA +PJ115656 GVLKKKRR C43H85N17O9 983.6717 NA PeJP NA NA +PJ115657 GSLLLLLKK C47H89N11O11 983.6743 NA PeJP NA NA +PJ115658 LLLLKKKE C47H89N11O11 983.6744 NA PeJP NA NA +PJ115659 LKKKRRR C42H85N19O8 983.6829 NA PeJP NA NA +PJ115660 TLLLLKKR C46H89N13O10 983.6856 NA PeJP NA NA +PJ115661 ALLKKKKR C45H89N15O9 983.6968 NA PeJP NA NA +PJ115662 VLLKKKKK C47H93N13O9 983.722 NA PeJP NA NA +MJ099116 Hydrargaphen C33H24Hg2O6S2 984.042681 NA MeJP NA NA +C11448 3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5- C32H43N8O20P3S 984.1527 NA KEGG NA NA +C11449 3-Amino-3-(5-chloro-3,4-dihydroxyphenyl)propanoyl-[pcp] C9H9ClNO3SR 984.1527 NA KEGG NA NA +PJ115663 CCCCCCCNM C30H52N10O11S8 984.1583 NA PeJP NA NA +PJ115664 GSTCCCCCCC C30H52N10O13S7 984.1761 NA PeJP NA NA +PJ115665 SSSSCCCCCC C30H52N10O15S6 984.1938 NA PeJP NA NA +PJ115666 GCCCCCCQY C34H52N10O12S6 984.2091 NA PeJP NA NA +PJ115667 PCCCCCCNH C33H52N12O11S6 984.2203 NA PeJP NA NA +PJ115668 SSCCCCCNY C34H52N10O14S5 984.2268 NA PeJP NA NA +PJ115669 CCCCEMMY C36H56N8O12S6 984.2342 NA PeJP NA NA +PJ115670 GCCCCNDMH C33H52N12O13S5 984.2381 NA PeJP NA NA +PJ115671 GCCNDDDDE C33H48N10O21S2 984.2437 NA PeJP NA NA +PJ115672 GGGCCDDDDE C33H48N10O21S2 984.2438 NA PeJP NA NA +PJ115673 GCCCCCCKY C35H56N10O11S6 984.2455 NA PeJP NA NA +PJ115674 CCCCDEFY C39H52N8O14S4 984.2486 NA PeJP NA NA +PJ115675 CCCCCQHW C37H52N12O10S5 984.2533 NA PeJP NA NA +PJ115676 SSCCCCNEH C33H52N12O15S4 984.2558 NA PeJP NA NA +PJ115677 GGGGPCCCCND C33H52N12O15S4 984.2559 NA PeJP NA NA +PJ115678 CCNDDDDW C37H48N10O18S2 984.259 NA PeJP NA NA +PJ115679 CCCCNNYY C38H52N10O13S4 984.2598 NA PeJP NA NA +PJ115680 GGCCCCNYY C38H52N10O13S4 984.2599 NA PeJP NA NA +PJ115681 SSCNDDDDD C33H48N10O23S 984.2615 NA PeJP NA NA +PJ115682 SPCCCNDDE C34H52N10O18S3 984.2624 NA PeJP NA NA +PJ115683 CCDDMMMH C35H56N10O13S5 984.2632 NA PeJP NA NA +PJ115684 SCCCDEYY C39H52N8O16S3 984.2664 NA PeJP NA NA +PJ115685 PCCCCMYY C40H56N8O11S5 984.2672 NA PeJP NA NA +PJ115686 CCCCEMFF C40H56N8O11S5 984.2673 NA PeJP NA NA +PJ115687 DDDDDEMM C35H52N8O21S2 984.2689 NA PeJP NA NA +PJ115688 TCCCMMMY C37H60N8O11S6 984.2706 NA PeJP NA NA +PJ115689 GSSCCCCHW C37H52N12O12S4 984.2711 NA PeJP NA NA +PJ115690 GSSSSCCCDH C33H52N12O17S3 984.2736 NA PeJP NA NA +PJ115691 GSCCCNMMH C34H56N12O12S5 984.2745 NA PeJP NA NA +PJ115692 GSPCCCDDW C38H52N10O15S3 984.2776 NA PeJP NA NA +PJ115693 APPCCCCCW C39H56N10O10S5 984.2785 NA PeJP NA NA +PJ115694 GSCNDDDEM C34H52N10O20S2 984.2801 NA PeJP NA NA +PJ115695 GPCCNDDMM C35H56N10O15S4 984.281 NA PeJP NA NA +PJ115696 CCCDMHHH C36H52N14O11S4 984.2823 NA PeJP NA NA +PJ115697 DDDDDDEF C38H48N8O23 984.2833 NA PeJP NA NA +PJ115698 SCCCNNNNN C32H52N14O16S3 984.2848 NA PeJP NA NA +PJ115699 GGGGGGGGSCCCN C32H52N14O16S3 984.2849 NA PeJP NA NA +PJ115700 GCCDMMYY C40H56N8O13S4 984.285 NA PeJP NA NA +PJ115701 GTCCCCCHR C33H56N14O11S5 984.2857 NA PeJP NA NA +PJ115702 CDDDDEHH C36H48N12O19S 984.288 NA PeJP NA NA +PJ115703 CCCNNNEW C37H52N12O14S3 984.2888 NA PeJP NA NA +PJ115704 GGCCCNNEW C37H52N12O14S3 984.2889 NA PeJP NA NA +PJ115705 CCCCCKHW C38H56N12O9S5 984.2897 NA PeJP NA NA +PJ115706 SSCCNNNDE C33H52N12O19S2 984.2913 NA PeJP NA NA +PJ115707 GSCCDDDDR C33H52N12O19S2 984.2914 NA PeJP NA NA +PJ115708 GPCCCCDER C34H56N12O14S4 984.2922 NA PeJP NA NA +PJ115709 NNDDDDDY C37H48N10O22 984.2945 NA PeJP NA NA +PJ115710 SCNDDDMW C38H52N10O17S2 984.2954 NA PeJP NA NA +PJ115711 PCCCNEMW C39H56N10O12S4 984.2962 NA PeJP NA NA +PJ115712 GGPCCCEMW C39H56N10O12S4 984.2963 NA PeJP NA NA +PJ115713 SSSNDDDDM C34H52N10O22S 984.2979 NA PeJP NA NA +PJ115714 NNDDDMMM C35H56N10O17S3 984.2987 NA PeJP NA NA +PJ115715 GGNDDDMMM C35H56N10O17S3 984.2988 NA PeJP NA NA +PJ115716 GCCDDFYY C43H52N8O15S2 984.2994 NA PeJP NA NA +PJ115717 SCDMMMMH C36H60N10O12S5 984.2996 NA PeJP NA NA +PJ115718 GPCCCNDHH C36H52N14O13S3 984.3001 NA PeJP NA NA +PJ115719 PCCCCFFY C44H56N8O10S4 984.3003 NA PeJP NA NA +PJ115720 PDDDDDMY C39H52N8O20S 984.3019 NA PeJP NA NA +PJ115721 SSCCEMYY C40H56N8O15S3 984.3028 NA PeJP NA NA +PJ115722 SSSCCCCHR C33H56N14O13S4 984.3034 NA PeJP NA NA +PJ115723 GCCMMMFY C41H60N8O10S5 984.3036 NA PeJP NA NA +PJ115724 GCCCNNWW C41H52N12O11S3 984.3041 NA PeJP NA NA +PJ115725 SDDEEEMM C36H56N8O20S2 984.3053 NA PeJP NA NA +PJ115726 PDDDMMMM C37H60N8O15S4 984.3061 NA PeJP NA NA +PJ115727 GSSCCNNDW C37H52N12O16S2 984.3066 NA PeJP NA NA +PJ115728 PCCCCDRW C38H56N12O11S4 984.3075 NA PeJP NA NA +PJ115729 GSSSSCNNDD C33H52N12O21S 984.3091 NA PeJP NA NA +PJ115730 CCNDDEMR C34H56N12O16S3 984.31 NA PeJP NA NA +PJ115731 GSCCDEWW C42H52N10O14S2 984.3106 NA PeJP NA NA +PJ115732 SVCCCCCKH C35H60N12O11S5 984.3108 NA PeJP NA NA +PJ115733 PPTCCCCCR C35H60N12O11S5 984.3109 NA PeJP NA NA +PJ115734 GPCCCMWW C43H56N10O9S4 984.3115 NA PeJP NA NA +PJ115735 GSSSCDDEW C38H52N10O19S 984.3131 NA PeJP NA NA +PJ115736 GGGGDDDDMF C38H52N10O19S 984.3132 NA PeJP NA NA +PJ115737 GCNDEMMW C39H56N10O14S3 984.314 NA PeJP NA NA +PJ115738 GSSSSSDDDE C34H52N10O24 984.3156 NA PeJP NA NA +PJ115739 GSSNDDEMM C35H56N10O19S2 984.3165 NA PeJP NA NA +PJ115740 GSCDDYYY C43H52N8O17S 984.3171 NA PeJP NA NA +PJ115741 GSPCNDMMM C36H60N10O14S4 984.3174 NA PeJP NA NA +PJ115742 CNNDDMHH C36H52N14O15S2 984.3178 NA PeJP NA NA +PJ115743 GGCNDDMHH C36H52N14O15S2 984.3179 NA PeJP NA NA +PJ115744 APCCCYYY C44H56N8O12S3 984.318 NA PeJP NA NA +PJ115745 ACMMMMMH C37H64N10O9S6 984.3182 NA PeJP NA NA +PJ115746 CCCCNHFR C37H56N14O10S4 984.3187 NA PeJP NA NA +PJ115747 GDDEEEEY C39H52N8O22 984.3197 NA PeJP NA NA +PJ115748 PDDDDMMF C40H56N8O17S2 984.3205 NA PeJP NA NA +PJ115749 CCCDDDRR C33H56N14O15S3 984.3212 NA PeJP NA NA +PJ115750 GSCMMMYY C41H60N8O12S4 984.3214 NA PeJP NA NA +PJ115751 GEEEEMMM C37H60N8O17S3 984.3239 NA PeJP NA NA +PJ115752 CNNNNDEY C37H52N12O18S 984.3244 NA PeJP NA NA +PJ115753 GCCDDMRW C38H56N12O13S3 984.3252 NA PeJP NA NA +PJ115754 GGGGGGTCCMW C38H56N12O13S3 984.3253 NA PeJP NA NA +PJ115755 SCCDWWW C46H52N10O11S2 984.3259 NA PeJP NA NA +PJ115756 GSSCDDDMR C34H56N12O18S2 984.3277 NA PeJP NA NA +PJ115757 GGGGGGSSSCEM C34H56N12O18S2 984.3278 NA PeJP NA NA +PJ115758 SSSCDDWW C42H52N10O16S 984.3284 NA PeJP NA NA +PJ115759 GSPCCCEMR C35H60N12O13S4 984.3286 NA PeJP NA NA +PJ115760 GSCCNNNHH C35H52N16O14S2 984.3291 NA PeJP NA NA +PJ115761 CNDMMWW C43H56N10O11S3 984.3292 NA PeJP NA NA +PJ115762 GGCDMMWW C43H56N10O11S3 984.3293 NA PeJP NA NA +PJ115763 SSSSSDDDW C38H52N10O21 984.3309 NA PeJP NA NA +PJ115764 SSNDDMMW C39H56N10O16S2 984.3318 NA PeJP NA NA +PJ115765 SPCCQMMW C40H60N10O11S4 984.3326 NA PeJP NA NA +PJ115766 GCCNEHHW C40H52N14O12S2 984.3331 NA PeJP NA NA +PJ115767 SSSSNDEEM C35H56N10O21S 984.3342 NA PeJP NA NA +PJ115768 GGSSSSDEEM C35H56N10O21S 984.3343 NA PeJP NA NA +PJ115769 DDEEEYW C43H52N8O19 984.3349 NA PeJP NA NA +PJ115770 SNNEEMMM C36H60N10O16S3 984.3351 NA PeJP NA NA +PJ115771 GSSCNDEHH C36H52N14O17S 984.3356 NA PeJP NA NA +PJ115772 CNEMYYY C44H56N8O14S2 984.3358 NA PeJP NA NA +PJ115773 SSMMMMMH C37H64N10O11S5 984.336 NA PeJP NA NA +PJ115774 SCCCNNRW C37H56N14O12S3 984.3365 NA PeJP NA NA +PJ115775 GCCMMFFF C45H60N8O9S4 984.3367 NA PeJP NA NA +PJ115776 SPDDEEMY C40H56N8O19S 984.3383 NA PeJP NA NA +PJ115777 SSSCCNNDR C33H56N14O17S2 984.339 NA PeJP NA NA +PJ115778 EEEMMMW C41H60N8O14S3 984.3391 NA PeJP NA NA +PJ115779 PPCDEMMY C41H60N8O14S3 984.3392 NA PeJP NA NA +PJ115780 GCNNNDYW C41H52N12O15S 984.3396 NA PeJP NA NA +PJ115781 CCNNNMMR C34H60N14O12S4 984.3398 NA PeJP NA NA +PJ115782 GGGGCCNMMR C34H60N14O12S4 984.3399 NA PeJP NA NA +PJ115783 CCCERWW C42H56N12O10S3 984.3405 NA PeJP NA NA +PJ115784 STEEEEMM C37H60N8O19S2 984.3416 NA PeJP NA NA +PJ115785 TTDEEEMM C37H60N8O19S2 984.3417 NA PeJP NA NA +PJ115786 GSSNNNDDY C37H52N12O20 984.3421 NA PeJP NA NA +PJ115787 SPEEMMMM C38H64N8O14S4 984.3425 NA PeJP NA NA +PJ115788 SSCCDERW C38H56N12O15S2 984.343 NA PeJP NA NA +PJ115789 CNDDFWW C46H52N10O13S 984.3436 NA PeJP NA NA +PJ115790 GGCDDFWW C46H52N10O13S 984.3437 NA PeJP NA NA +PJ115791 SPCCCMRW C39H60N12O10S4 984.3439 NA PeJP NA NA +PJ115792 PCCDHHHH C39H52N16O11S2 984.3443 NA PeJP NA NA +PJ115793 ACCMWWW C47H56N10O8S3 984.3445 NA PeJP NA NA +PJ115794 SSSSCDDER C34H56N12O20S 984.3455 NA PeJP NA NA +PJ115795 GSNDDEYW C42H52N10O18 984.3461 NA PeJP NA NA +PJ115796 GGGSDDEYW C42H52N10O18 984.3462 NA PeJP NA NA +PJ115797 ASTCCNQQM C35H60N12O15S3 984.3463 NA PeJP NA NA +PJ115798 SCNDEMMR C35H60N12O15S3 984.3464 NA PeJP NA NA +PJ115799 GSSCEMWW C43H56N10O13S2 984.347 NA PeJP NA NA +PJ115800 PCCNMMMR C36H64N12O10S5 984.3472 NA PeJP NA NA +FL5FABGI0015 Acuminatoside C45H60O24 984.34745 142735-71-5 knapsack NA NA +MJ099117 3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C45H60O24 984.347452 NA MeJP NA NA +PJ115801 CMMMHFW C44H60N10O8S4 984.3479 NA PeJP NA NA +PJ115802 CCNHHWW C44H52N14O9S2 984.3483 NA PeJP NA NA +PJ115803 GGCCHHWW C44H52N14O9S2 984.3484 NA PeJP NA NA +PJ115804 GSSSSDEMW C39H56N10O18S 984.3495 NA PeJP NA NA +PJ115805 GSNEMMMW C40H60N10O13S3 984.3504 NA PeJP NA NA +PJ115806 SSCNDHHW C40H52N14O14S 984.3509 NA PeJP NA NA +PJ115807 GCMYYYW C48H56N8O11S2 984.351 NA PeJP NA NA +PJ115808 CCCCNQRR C33H60N16O11S4 984.3511 NA PeJP NA NA +PJ115809 ACCMHHHF C41H56N14O9S3 984.3517 NA PeJP NA NA +PJ115810 GSSSSSSEEE C35H56N10O23 984.352 NA PeJP NA NA +PJ115811 GSSSQEEMM C36H60N10O18S2 984.3529 NA PeJP NA NA +PJ115812 SSSSNDDHH C36H52N14O19 984.3534 NA PeJP NA NA +PJ115813 DEEEMFW C44H56N8O16S 984.3535 NA PeJP NA NA +PJ115814 GSSPNMMMM C37H64N10O13S4 984.3537 NA PeJP NA NA +PJ115815 GQQEMMMM C37H64N10O13S4 984.3538 NA PeJP NA NA +PJ115816 CCNNNDFR C37H56N14O14S2 984.3542 NA PeJP NA NA +PJ115817 GGGGGGCCDFR C37H56N14O14S2 984.3543 NA PeJP NA NA +PJ115818 CQMMFYY C45H60N8O11S3 984.3544 NA PeJP NA NA +PJ115819 GTEEEEEY C40H56N8O21 984.356 NA PeJP NA NA +PJ115820 GPEEEMMY C41H60N8O16S2 984.3569 NA PeJP NA NA +PJ115821 SPNDDDHW C41H52N12O17 984.3574 NA PeJP NA NA +PJ115822 SCCDDMRR C34H60N14O14S3 984.3576 NA PeJP NA NA +PJ115823 PPCEMMMF C42H64N8O11S4 984.3578 NA PeJP NA NA +PJ115824 GCNNNMFW C42H56N12O12S2 984.3582 NA PeJP NA NA +PJ115825 GGGCNNMFW C42H56N12O12S2 984.3583 NA PeJP NA NA +PJ115826 SVEEEMMM C38H64N8O16S3 984.3603 NA PeJP NA NA +PJ115827 SSSSSCNQW C38H56N12O17S 984.3607 NA PeJP NA NA +PJ115828 GGGGSSSSTCW C38H56N12O17S 984.3608 NA PeJP NA NA +PJ115829 PVDMMMMM C39H68N8O11S5 984.3612 NA PeJP NA NA +PJ115830 SNDDYWW C46H52N10O15 984.3614 NA PeJP NA NA +PJ115831 GSCDMMRW C39H60N12O12S3 984.3616 NA PeJP NA NA +PJ115832 GDDMHHHH C39H52N16O13S 984.3621 NA PeJP NA NA +PJ115833 SSCMWWW C47H56N10O10S2 984.3623 NA PeJP NA NA +PJ115834 SSSSSSSNNE C34H56N12O22 984.3632 NA PeJP NA NA +PJ115835 GGGGSSSSSSSE C34H56N12O22 984.3633 NA PeJP NA NA +PJ115836 GSSSDDMMR C35H60N12O17S2 984.3641 NA PeJP NA NA +PJ115837 GSNNNNNDH C35H52N16O18 984.3646 NA PeJP NA NA +PJ115838 SSSSDMWW C43H56N10O15S 984.3648 NA PeJP NA NA +PJ115839 GNDMMMMR C36H64N12O12S4 984.365 NA PeJP NA NA +PJ115840 SCCNEHHR C36H56N16O13S2 984.3655 NA PeJP NA NA +PJ115841 SNMMMWW C44H60N10O10S3 984.3656 NA PeJP NA NA +PJ115842 GGPCCCLFW C44H60N10O10S3 984.3657 NA PeJP NA NA +PJ115843 SSSSSSEEW C39H56N10O20 984.3673 NA PeJP NA NA +PJ115844 SSSQEMMW C40H60N10O15S2 984.3681 NA PeJP NA NA +PJ115845 GGGGSPEMMY C40H60N10O15S2 984.3682 NA PeJP NA NA +PJ115846 GNNNDEHW C40H52N14O16 984.3686 NA PeJP NA NA +PJ115847 STCYYYW C48H56N8O13S 984.3688 NA PeJP NA NA +PJ115848 QQMMMMW C41H64N10O10S4 984.369 NA PeJP NA NA +PJ115849 GSCQMHHW C41H56N14O11S2 984.3695 NA PeJP NA NA +PJ115850 SSSSTQEEM C36H60N10O20S 984.3706 NA PeJP NA NA +PJ115851 TEEEEYW C44H56N8O18 984.3713 NA PeJP NA NA +PJ115852 SNDKEMMM C37H64N10O15S3 984.3715 NA PeJP NA NA +PJ115853 SCNNNDRY C37H56N14O16S 984.372 NA PeJP NA NA +PJ115854 SQMMYYY C45H60N8O13S2 984.3721 NA PeJP NA NA +PJ115855 PEEMMYW C45H60N8O13S2 984.3722 NA PeJP NA NA +PJ115856 PCNKMMMM C38H68N10O10S5 984.3724 NA PeJP NA NA +PJ115857 DDEHHFW C45H52N12O14 984.3726 NA PeJP NA NA +PJ115858 GNQMMMHH C38H60N14O11S3 984.3729 NA PeJP NA NA +PJ115859 SCNNHHHH C38H52N18O12S 984.3733 NA PeJP NA NA +PJ115860 GPPCCHWW C46H56N12O9S2 984.3735 NA PeJP NA NA +PJ115861 GVEEEEMY C41H60N8O18S 984.3747 NA PeJP NA NA +PJ115862 SSSSCNNMR C34H60N14O16S2 984.3753 NA PeJP NA NA +PJ115863 GGSSSSCNMR C34H60N14O16S2 984.3754 NA PeJP NA NA +PJ115864 SPPEMMMY C42H64N8O13S3 984.3755 NA PeJP NA NA +PJ115865 CNDERYW C42H56N12O14S 984.376 NA PeJP NA NA +PJ115866 GCCEMMRR C35H64N14O11S4 984.3762 NA PeJP NA NA +PJ115867 TCCMRWW C43H60N12O9S3 984.3769 NA PeJP NA NA +PJ115868 CEHHHHW C43H52N16O10S 984.3773 NA PeJP NA NA +PJ115869 GSSSSSSSNW C38H56N12O19 984.3785 NA PeJP NA NA +PJ115870 ALEEMMMM C39H68N8O13S4 984.3789 NA PeJP NA NA +PJ115871 SSSCEMRW C39H60N12O14S2 984.3794 NA PeJP NA NA +PJ115872 SSDEHHHH C39H52N16O15 984.3799 NA PeJP NA NA +PJ115873 GNEMYWW C47H56N10O12S 984.38 NA PeJP NA NA +PJ115874 CQMMMRW C40H64N12O9S4 984.3802 NA PeJP NA NA +PJ115875 GACMMMRW C40H64N12O9S4 984.3803 NA PeJP NA NA +PJ115876 GSCCHHRW C40H56N16O10S2 984.3807 NA PeJP NA NA +PJ115877 SSSSSDEMR C35H60N12O19S 984.3819 NA PeJP NA NA +PJ115878 GSSQEEYW C43H56N10O17 984.3825 NA PeJP NA NA +PJ115879 GGGGGEEEFF C43H56N10O17 984.3826 NA PeJP NA NA +PJ115880 SSNEMMMR C36H64N12O14S3 984.3827 NA PeJP NA NA +PJ115881 AASSCEMMR C36H64N12O14S3 984.3828 NA PeJP NA NA +PJ115882 GSSSCDHHR C36H56N16O15S 984.3832 NA PeJP NA NA +PJ115883 GGGGGGGGGGQMH C36H56N16O15S 984.3833 NA PeJP NA NA +PJ115884 GSSTMMWW C44H60N10O12S2 984.3834 NA PeJP NA NA +PJ115885 NNNDHWW C44H52N14O13 984.3839 NA PeJP NA NA +PJ115886 GCFFYYW C52H56N8O10S 984.384 NA PeJP NA NA +PJ115887 GCNMMHHR C37H60N16O10S3 984.3841 NA PeJP NA NA +PJ115888 GSSSTTEMW C40H60N10O17S 984.3859 NA PeJP NA NA +PJ115889 GQEYYYY C48H56N8O15 984.3865 NA PeJP NA NA +PJ115890 PDEEFYW C48H56N8O15 984.3866 NA PeJP NA NA +PJ115891 GSDKMMMW C41H64N10O12S3 984.3868 NA PeJP NA NA +PJ115892 SSSNMHHW C41H56N14O13S 984.3872 NA PeJP NA NA +PJ115893 GPCDDHRW C41H56N14O13S 984.3873 NA PeJP NA NA +PJ115894 CQMFFFY C49H60N8O10S2 984.3874 NA PeJP NA NA +PJ115895 CCCCNKRR C34H64N16O10S4 984.3875 NA PeJP NA NA +PJ115896 GSSSSTTTEE C36H60N10O22 984.3884 NA PeJP NA NA +PJ115897 GSSSKEEMM C37H64N10O17S2 984.3893 NA PeJP NA NA +PJ115898 ADDDQEHR C37H56N14O18 984.3897 NA PeJP NA NA +PJ115899 GNDEEEHR C37H56N14O18 984.3898 NA PeJP NA NA +PJ115900 VEEEMYW C45H60N8O15S 984.3899 NA PeJP NA NA +PJ115901 GQKEMMMM C38H68N10O12S4 984.3901 NA PeJP NA NA +PJ115902 GGAKEMMMM C38H68N10O12S4 984.3902 NA PeJP NA NA +PJ115903 GCNNQMRY C38H60N14O13S2 984.3906 NA PeJP NA NA +PJ115904 CKMMFYY C46H64N8O10S3 984.3908 NA PeJP NA NA +PJ115905 GCDRYWW C46H56N12O11S 984.3913 NA PeJP NA NA +PJ115906 CCMMRRW C39H64N14O8S4 984.3915 NA PeJP NA NA +PJ115907 SSLEEEEY C41H60N8O20 984.3924 NA PeJP NA NA +PJ115908 GSSSSSSCQR C34H60N14O18S 984.3931 NA PeJP NA NA +PJ115909 SPVEEMMY C42H64N8O15S2 984.3933 NA PeJP NA NA +PJ115910 SSSNNQYW C42H56N12O16 984.3937 NA PeJP NA NA +PJ115911 GSSDDRYW C42H56N12O16 984.3938 NA PeJP NA NA +PJ115912 SSCDMMRR C35H64N14O13S3 984.394 NA PeJP NA NA +PJ115913 PPCLMMMY C43H68N8O10S4 984.3942 NA PeJP NA NA +PJ115914 CNNNNNHR C35H56N18O14S 984.3944 NA PeJP NA NA +PJ115915 GGCNNNNHR C35H56N18O14S 984.3945 NA PeJP NA NA +PJ115916 GPTCCRYW C43H60N12O11S2 984.3946 NA PeJP NA NA +PJ115917 GGGGACCKFW C43H60N12O11S2 984.3947 NA PeJP NA NA +PJ115918 NMYWWW C51H56N10O9S 984.3953 NA PeJP NA NA +PJ115919 TTLEEMMM C39H68N8O15S3 984.3967 NA PeJP NA NA +PJ115920 SSSSSCNKW C39H60N12O16S 984.3971 NA PeJP NA NA +PJ115921 GGGGGGSDKMY C39H60N12O16S 984.3972 NA PeJP NA NA +PJ115922 PTLMMMMM C40H72N8O10S5 984.3975 NA PeJP NA NA +PJ115923 SSQEYWW C47H56N10O14 984.3978 NA PeJP NA NA +PJ115924 GSSMMMRW C40H64N12O11S3 984.398 NA PeJP NA NA +PJ115925 GCNDHHFR C40H56N16O12S 984.3985 NA PeJP NA NA +PJ115926 VCNMFWW C48H60N10O9S2 984.3986 NA PeJP NA NA +PJ115927 PCCKYWW C48H60N10O9S2 984.3987 NA PeJP NA NA +PJ115928 SSSSSSSNDK C35H60N12O21 984.3996 NA PeJP NA NA +PJ115929 GSSSTEMMR C36H64N12O16S2 984.4005 NA PeJP NA NA +PJ115930 GDDDDHRR C36H56N16O17 984.401 NA PeJP NA NA +PJ115931 SSSTTMWW C44H60N10O14S 984.4011 NA PeJP NA NA +PJ115932 NDKEMYW C44H60N10O14S 984.4012 NA PeJP NA NA +PJ115933 GTQMMMMR C37H68N12O11S4 984.4014 NA PeJP NA NA +PJ115934 QYYYYW C52H56N8O12 984.4018 NA PeJP NA NA +PJ115935 GGGGGCCRRY C37H60N16O12S2 984.4019 NA PeJP NA NA +PJ115936 TCKMMWW C45H64N10O9S3 984.402 NA PeJP NA NA +PJ115937 NNMHHFW C45H56N14O10S 984.4025 NA PeJP NA NA +PJ115938 SSSSTTTEW C40H60N10O19 984.4036 NA PeJP NA NA +PJ115939 SSNKEEEY C40H60N10O19 984.4037 NA PeJP NA NA +PJ115940 SSSKEMMW C41H64N10O14S2 984.4045 NA PeJP NA NA +PJ115941 NDEEHRW C41H56N14O15 984.405 NA PeJP NA NA +PJ115942 PPEMYYW C49H60N8O12S 984.4052 NA PeJP NA NA +PJ115943 QKMMMMW C42H68N10O9S4 984.4054 NA PeJP NA NA +PJ115944 CCDFRRW C42H60N14O10S2 984.4059 NA PeJP NA NA +PJ115945 APCHWWW C50H56N12O8S 984.4065 NA PeJP NA NA +PJ115946 SSSSTKEEM C37H64N10O19S 984.407 NA PeJP NA NA +PJ115947 SSTTTYYY C45H60N8O17 984.4077 NA PeJP NA NA +PJ115948 STQKEMMM C38H68N10O14S3 984.4079 NA PeJP NA NA +PJ115949 GSCDERRY C38H60N14O15S 984.4084 NA PeJP NA NA +PJ115950 LEEMMFW C46H64N8O12S2 984.4085 NA PeJP NA NA +PJ115951 PPVCEMFY C46H64N8O12S2 984.4086 NA PeJP NA NA +PJ115952 AQEEHWW C46H56N12O13 984.409 NA PeJP NA NA +PJ115953 GPCCMRRY C39H64N14O10S3 984.4092 NA PeJP NA NA +PJ115954 GGPPCMMHR C39H64N14O10S3 984.4093 NA PeJP NA NA +PJ115955 GCMFRWW C47H60N12O8S2 984.4099 NA PeJP NA NA +PJ115956 SSSSSSSSNR C34H60N14O20 984.4109 NA PeJP NA NA +PJ115957 ATLEEEMY C42H64N8O17S 984.4111 NA PeJP NA NA +PJ115958 SSSSCCQKR C35H64N14O15S2 984.4117 NA PeJP NA NA +PJ115959 APLEMMMY C43H68N8O12S3 984.4119 NA PeJP NA NA +PJ115960 SNEMRYW C43H60N12O13S 984.4124 NA PeJP NA NA +PJ115961 GTCMMMRR C36H68N14O10S4 984.4126 NA PeJP NA NA +PJ115962 GSTYWWW C51H56N10O11 984.413 NA PeJP NA NA +PJ115963 GGGEFFWW C51H56N10O11 984.4131 NA PeJP NA NA +PJ115964 LMMMHHW C44H64N12O8S3 984.4133 NA PeJP NA NA +PJ115965 TMHHHHW C44H56N16O9S 984.4137 NA PeJP NA NA +PJ115966 SSSQEERY C39H60N12O18 984.4149 NA PeJP NA NA +PJ115967 SLLEMMMM C40H72N8O12S4 984.4153 NA PeJP NA NA +PJ115968 SSSTMMRW C40H64N12O13S2 984.4157 NA PeJP NA NA +PJ115969 GSSSCCKKW C40H64N12O13S2 984.4158 NA PeJP NA NA +PJ115970 GSNNDHRW C40H56N16O14 984.4162 NA PeJP NA NA +PJ115971 GGGGGSDHRW C40H56N16O14 984.4163 NA PeJP NA NA +PJ115972 GDKMYWW C48H60N10O11S 984.4164 NA PeJP NA NA +PJ115973 CKMMMRW C41H68N12O8S4 984.4166 NA PeJP NA NA +PJ115974 GVMMHHHH C41H60N16O9S2 984.4171 NA PeJP NA NA +PJ115975 GSHHHHHH C41H52N20O10 984.4176 NA PeJP NA NA +PJ115976 SSSSTTEMR C36H64N12O18S 984.4182 NA PeJP NA NA +PJ115977 SSSTTTDMR C36H64N12O18S 984.4183 NA PeJP NA NA +PJ115978 GSSKEEYW C44H60N10O16 984.4189 NA PeJP NA NA +PJ115979 SSDKMMMR C37H68N12O13S3 984.4191 NA PeJP NA NA +PJ115980 SPCDDHRR C37H60N16O14S 984.4196 NA PeJP NA NA +PJ115981 VQQMMYW C45H64N10O11S2 984.4198 NA PeJP NA NA +PJ115982 SNQQHWW C45H56N14O12 984.4202 NA PeJP NA NA +PJ115983 GDEHRWW C45H56N14O12 984.4203 NA PeJP NA NA +PJ115984 CQFFFFF C53H60N8O9S 984.4204 NA PeJP NA NA +PJ115985 ACCKMHHR C38H64N16O9S3 984.4205 NA PeJP NA NA +PJ115986 SSSSSTLMW C41H64N10O16S 984.4223 NA PeJP NA NA +PJ115987 PVEEYYW C49H60N8O14 984.4229 NA PeJP NA NA +PJ115988 GTTKMMMW C42H68N10O11S3 984.4232 NA PeJP NA NA +PJ115989 SCDRRYW C42H60N14O12S 984.4236 NA PeJP NA NA +PJ115990 GGGGGGGLMHW C42H60N14O12S 984.4237 NA PeJP NA NA +PJ115991 CKMFFFY C50H64N8O9S2 984.4238 NA PeJP NA NA +PJ115992 AAEHWWW C50H56N12O10 984.4243 NA PeJP NA NA +PJ115993 SSSSSSTTLE C37H64N10O21 984.4248 NA PeJP NA NA +PJ115994 ASSTTKEMM C38H68N10O16S2 984.4256 NA PeJP NA NA +PJ115995 GSTTTKEMM C38H68N10O16S2 984.4257 NA PeJP NA NA +PJ115996 SSSDDRRY C38H60N14O17 984.4261 NA PeJP NA NA +PJ115997 GGGGGSPPDER C38H60N14O17 984.4262 NA PeJP NA NA +PJ115998 SPPVEMYY C46H64N8O14S 984.4263 NA PeJP NA NA +PJ115999 GKKEMMMM C39H72N10O11S4 984.4265 NA PeJP NA NA +PJ116000 NDMMRRY C39H64N14O12S2 984.427 NA PeJP NA NA +PJ116001 PPCLMMFF C47H68N8O9S3 984.4272 NA PeJP NA NA +PJ116002 GNQQQHHH C39H56N18O13 984.4275 NA PeJP NA NA +PJ116003 GSMRYWW C47H60N12O10S 984.4276 NA PeJP NA NA +PJ116004 GAPTMHWW C47H60N12O10S 984.4277 NA PeJP NA NA +PJ116005 NFFWWW C55H56N10O8 984.4283 NA PeJP NA NA +PJ116006 TTTLEEEY C42H64N8O19 984.4288 NA PeJP NA NA +PJ116007 GSSSSSSCKR C35H64N14O17S 984.4295 NA PeJP NA NA +PJ116008 GLLEEMMY C43H68N8O14S2 984.4297 NA PeJP NA NA +PJ116009 GSSTERYW C43H60N12O15 984.4301 NA PeJP NA NA +PJ116010 GGGGSSSKYW C43H60N12O15 984.4302 NA PeJP NA NA +PJ116011 SSSMMMRR C36H68N14O12S3 984.4304 NA PeJP NA NA +PJ116012 PVVMMMMF C44H72N8O9S4 984.4306 NA PeJP NA NA +PJ116013 GCNNEHRR C36H60N18O13S 984.4308 NA PeJP NA NA +PJ116014 GGGCNEHRR C36H60N18O13S 984.4309 NA PeJP NA NA +PJ116015 AQMMRYW C44H64N12O10S2 984.431 NA PeJP NA NA +PJ116016 GSPQHHHW C44H56N16O11 984.4315 NA PeJP NA NA +PJ116017 AMHFFFW C52H60N10O8S 984.4317 NA PeJP NA NA +PJ116018 GSDKEMRY C40H64N12O15S 984.4335 NA PeJP NA NA +PJ116019 GGGGGGGPPLEM C40H64N12O15S 984.4336 NA PeJP NA NA +PJ116020 VVLMMMMM C41H76N8O9S5 984.4339 NA PeJP NA NA +PJ116021 SSKEYWW C48H60N10O13 984.4342 NA PeJP NA NA +PJ116022 SCCCKKKW C41H68N12O10S3 984.4344 NA PeJP NA NA +PJ116023 NNQMHRW C41H60N16O11S 984.4348 NA PeJP NA NA +PJ116024 GGNQMHRW C41H60N16O11S 984.4349 NA PeJP NA NA +PJ116025 GKMMFWW C49H64N10O8S2 984.435 NA PeJP NA NA +PJ116026 DHRWWW C49H56N14O9 984.4355 NA PeJP NA NA +PJ116027 SSSSSSSTQK C36H64N12O20 984.436 NA PeJP NA NA +PJ116028 SSSSSLMMR C37H68N12O15S2 984.4369 NA PeJP NA NA +PJ116029 GSTNNNNKH C37H60N16O16 984.4373 NA PeJP NA NA +PJ116030 GSDEEHRR C37H60N16O16 984.4374 NA PeJP NA NA +PJ116031 TQKEMYW C45H64N10O13S 984.4375 NA PeJP NA NA +PJ116032 GAPPPTEMW C45H64N10O13S 984.4376 NA PeJP NA NA +PJ116033 GTKMMMMR C38H72N12O10S4 984.4378 NA PeJP NA NA +PJ116034 KYYYYW C53H60N8O11 984.4382 NA PeJP NA NA +PJ116035 GGGAPCCKHR C38H64N16O11S2 984.4383 NA PeJP NA NA +PJ116036 GNNNHHHR C38H56N20O12 984.4387 NA PeJP NA NA +PJ116037 PTCHRWW C46H60N14O9S 984.4389 NA PeJP NA NA +PJ116038 SSTTTTTTW C41H64N10O18 984.44 NA PeJP NA NA +PJ116039 SLLEEEEH C41H64N10O18 984.4401 NA PeJP NA NA +PJ116040 STTTKMMW C42H68N10O13S2 984.4409 NA PeJP NA NA +PJ116041 TQEEHRW C42H60N14O14 984.4414 NA PeJP NA NA +PJ116042 AKMFYYY C50H64N8O11S 984.4415 NA PeJP NA NA +PJ116043 PLEMFYW C50H64N8O11S 984.4416 NA PeJP NA NA +PJ116044 KKMMMMW C43H72N10O8S4 984.4418 NA PeJP NA NA +PJ116045 ACMRRYW C43H64N14O9S2 984.4423 NA PeJP NA NA +PJ116046 DHHHHFR C43H56N18O10 984.4427 NA PeJP NA NA +PJ116047 SSTTTTKEM C38H68N10O18S 984.4434 NA PeJP NA NA +PJ116048 APTLEEYY C46H64N8O16 984.4441 NA PeJP NA NA +PJ116049 STKKEMMM C39H72N10O13S3 984.4443 NA PeJP NA NA +PJ116050 SSCNQKRY C39H64N14O14S 984.4447 NA PeJP NA NA +PJ116051 GSSEMRRY C39H64N14O14S 984.4448 NA PeJP NA NA +PJ116052 LLEMMYW C47H68N8O11S2 984.4449 NA PeJP NA NA +PJ116053 SSTRYWW C47H60N12O12 984.4454 NA PeJP NA NA +PJ116054 NMMMFRR C40H68N14O9S3 984.4456 NA PeJP NA NA +PJ116055 CNNHRRW C40H60N18O10S 984.4461 NA PeJP NA NA +PJ116056 STLLEEMY C43H68N8O16S 984.4474 NA PeJP NA NA +PJ116057 SSSSCCKKR C36H68N14O14S2 984.4481 NA PeJP NA NA +PJ116058 SPLLMMMY C44H72N8O11S3 984.4483 NA PeJP NA NA +PJ116059 SSNNDHRR C36H60N18O15 984.4486 NA PeJP NA NA +PJ116060 SDKMRYW C44H64N12O12S 984.4488 NA PeJP NA NA +PJ116061 PPVDWWW C52H60N10O10 984.4494 NA PeJP NA NA +PJ116062 SSSKEERY C40H64N12O17 984.4513 NA PeJP NA NA +PJ116063 QKEMMRY C41H68N12O12S2 984.4521 NA PeJP NA NA +PJ116064 GAKEMMRY C41H68N12O12S2 984.4522 NA PeJP NA NA +PJ116065 SDEHRRW C41H60N16O13 984.4526 NA PeJP NA NA +PJ116066 GGGGGGGGAPRW C41H60N16O13 984.4527 NA PeJP NA NA +PJ116067 ATKMYWW C49H64N10O10S 984.4528 NA PeJP NA NA +PJ116068 PCMHRRW C42H64N16O8S2 984.4535 NA PeJP NA NA +PJ116069 SSTTTTTMR C37H68N12O17S 984.4546 NA PeJP NA NA +PJ116070 GTTTKEYW C45H64N10O15 984.4553 NA PeJP NA NA +PJ116071 STTKMMMR C38H72N12O12S3 984.4555 NA PeJP NA NA +PJ116072 QEEMHRR C38H64N16O13S 984.456 NA PeJP NA NA +PJ116073 VQKMMYW C46H68N10O10S2 984.4562 NA PeJP NA NA +PJ116074 ATEHRWW C46H60N14O11 984.4566 NA PeJP NA NA +MJ099118 3,24-Dihydroxy-22-oxo-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H72O21 984.456609 NA MeJP NA NA +MJ099119 3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[?-D-Glucopyranuronosyl-(1?2)-?-D-glucuronopyranoside], ?-D-ucopyranosyl ester C48H72O21 984.456609 NA MeJP NA NA +PJ116075 GGGGTKHWW C46H60N14O11 984.4567 NA PeJP NA NA +PJ116076 CKFFFFF C54H64N8O8S 984.4568 NA PeJP NA NA +PJ116077 GTKKEEMY C42H68N10O15S 984.4587 NA PeJP NA NA +PJ116078 VLEEFYW C50H64N8O13 984.4593 NA PeJP NA NA +PJ116079 GPKKMMMY C43H72N10O10S3 984.4595 NA PeJP NA NA +PJ116080 GGALKMMMF C43H72N10O10S3 984.4596 NA PeJP NA NA +PJ116081 SSMRRYW C43H64N14O11S 984.46 NA PeJP NA NA +PJ116082 GTLHWWW C51H60N12O9 984.4607 NA PeJP NA NA +PJ116083 ASTTTTTTTT C38H68N10O20 984.4611 NA PeJP NA NA +PJ116084 SSSSTTTTTL C38H68N10O20 984.4612 NA PeJP NA NA +PJ116085 SSSTTLKMM C39H72N10O15S2 984.462 NA PeJP NA NA +PJ116086 SSSTERRY C39H64N14O16 984.4625 NA PeJP NA NA +PJ116087 GGGGGGGGAPVDK C39H64N14O16 984.4626 NA PeJP NA NA +PJ116088 GPLLEMYY C47H68N8O13S 984.4627 NA PeJP NA NA +PJ116089 SVKKMMMM C40H76N10O10S4 984.4629 NA PeJP NA NA +PJ116090 TQMMRRY C40H68N14O11S2 984.4634 NA PeJP NA NA +PJ116091 AAQEHHHR C40H60N18O12 984.4639 NA PeJP NA NA +PJ116092 PTKMHWW C48H64N12O9S 984.464 NA PeJP NA NA +PJ116093 SVLLEMMY C44H72N8O13S2 984.4661 NA PeJP NA NA +PJ116094 SSSSLRYW C44H64N12O14 984.4665 NA PeJP NA NA +PJ116095 GGGGPPTKEW C44H64N12O14 984.4666 NA PeJP NA NA +PJ116096 DDMHRRR C37H64N18O12S 984.4672 NA PeJP NA NA +PJ116097 AKMMRYW C45H68N12O9S2 984.4674 NA PeJP NA NA +PJ116098 GSPKHHHW C45H60N16O10 984.4679 NA PeJP NA NA +PJ116099 GTTKEMRY C41H68N12O14S 984.4699 NA PeJP NA NA +PJ116100 TTTKYWW C49H64N10O12 984.4705 NA PeJP NA NA +PJ116101 GPPTLEWW C49H64N10O12 984.4706 NA PeJP NA NA +PJ116102 AAKMMMFR C42H72N12O9S3 984.4708 NA PeJP NA NA +PJ116103 VCEHRRW C42H64N16O10S 984.4712 NA PeJP NA NA +PJ116104 AEMHRRW C42H64N16O10S 984.4713 NA PeJP NA NA +PJ116105 GPHFRWW C50H60N14O8 984.4719 NA PeJP NA NA +PJ116106 SSSSSSSTKK C37H68N12O19 984.4724 NA PeJP NA NA +PJ116107 SSSSCKKKM C38H72N12O14S2 984.4733 NA PeJP NA NA +PJ116108 SSVDEHRR C38H64N16O15 984.4737 NA PeJP NA NA +PJ116109 GTTEEHRR C38H64N16O15 984.4738 NA PeJP NA NA +PJ116110 TKKEMYW C46H68N10O12S 984.4739 NA PeJP NA NA +PJ116111 PPLFYYW C54H64N8O10 984.4746 NA PeJP NA NA +PJ116112 NEHHHRR C39H60N20O11 984.4751 NA PeJP NA NA +PJ116113 GLMHRWW C47H64N14O8S 984.4753 NA PeJP NA NA +PJ116114 STTKKEEY C42H68N10O17 984.4764 NA PeJP NA NA +PJ116115 GGAAPLLEEE C42H68N10O17 984.4765 NA PeJP NA NA +PJ116116 GVKKEMMY C43H72N10O12S2 984.4773 NA PeJP NA NA +PJ116117 TKEEHRW C43H64N14O13 984.4778 NA PeJP NA NA +PJ116118 PLLMYYW C51H68N8O10S 984.4779 NA PeJP NA NA +PJ116119 LLEMFFW C51H68N8O10S 984.478 NA PeJP NA NA +PJ116120 GSCNHRRR C36H64N20O11S 984.4785 NA PeJP NA NA +PJ116121 PKMMHRW C44H68N14O8S2 984.4786 NA PeJP NA NA +PJ116122 VNHHHRW C44H60N18O9 984.4791 NA PeJP NA NA +PJ116123 TTTTTTTKM C39H72N10O17S 984.4798 NA PeJP NA NA +PJ116124 AVVLEEYY C47H68N8O15 984.4804 NA PeJP NA NA +PJ116125 GVLLEEYY C47H68N8O15 984.4805 NA PeJP NA NA +PJ116126 GTTTMRRY C40H68N14O13S 984.4811 NA PeJP NA NA +PJ116127 APPEEMRR C40H68N14O13S 984.4812 NA PeJP NA NA +PJ116128 APLLMMFY C48H72N8O10S2 984.4813 NA PeJP NA NA +PJ116129 SLKEHWW C48H64N12O11 984.4818 NA PeJP NA NA +PJ116130 APCKHHHR C41H64N18O9S 984.4825 NA PeJP NA NA +PJ116131 ALLLMMMY C45H76N8O10S3 984.4847 NA PeJP NA NA +PJ116132 GPNDDRRR C37H64N18O14 984.485 NA PeJP NA NA +PJ116133 TTKMRYW C45H68N12O11S 984.4852 NA PeJP NA NA +PJ116134 PPTLWWW C53H64N10O9 984.4858 NA PeJP NA NA +PJ116135 ASSSTTLRY C41H68N12O16 984.4876 NA PeJP NA NA +PJ116136 STTTKERY C41H68N12O16 984.4877 NA PeJP NA NA +PJ116137 KKEMMRY C42H72N12O11S2 984.4885 NA PeJP NA NA +PJ116138 GGGGLLLMMH C42H72N12O11S2 984.4886 NA PeJP NA NA +PJ116139 TTEHRRW C42H64N16O12 984.489 NA PeJP NA NA +PJ116140 GPPVLMWW C50H68N10O9S 984.4892 NA PeJP NA NA +PJ116141 GHHHRRW C43H60N20O8 984.4904 NA PeJP NA NA +PJ116142 SSTTLKYW C46H68N10O14 984.4917 NA PeJP NA NA +PJ116143 KEEMHRR C39H68N16O12S 984.4924 NA PeJP NA NA +PJ116144 VKKMMYW C47H72N10O9S2 984.4926 NA PeJP NA NA +MJ099120 12-Oleanene-3,22,24,30-tetrol, 30-Carboxylic acid, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside], 22-Ac C49H76O20 984.492994 NA MeJP NA NA +MJ099121 3,12,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-3-O-acetyl-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C49H76O20 984.492994 NA MeJP NA NA +MJ099122 3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-3-O-acetyl-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] C49H76O20 984.492994 NA MeJP NA NA +MJ099123 Jujubogenin; 3-O-[5-O-(Carboxyacetyl)-?-L-arabinofuranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] C49H76O20 984.492994 NA MeJP NA NA +MJ099124 Spirost-5-ene-1,3-diol, 1-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-4,6-di-O-acetyl-?-D-galactopyranoside] C49H76O20 984.492994 NA MeJP NA NA +PJ116145 STLHRWW C47H64N14O10 984.493 NA PeJP NA NA +PJ116146 SSLKKEMY C43H72N10O14S 984.495 NA PeJP NA NA +PJ116147 STLDKKMY C43H72N10O14S 984.4951 NA PeJP NA NA +PJ116148 VLLEYYW C51H68N8O12 984.4957 NA PeJP NA NA +PJ116149 GLKKMMMF C44H76N10O9S3 984.4959 NA PeJP NA NA +PJ116150 VKEMHRW C44H68N14O10S 984.4964 NA PeJP NA NA +PJ116151 KFRYWW C52H64N12O8 984.497 NA PeJP NA NA +PJ116152 PPPFRWW C52H64N12O8 984.4971 NA PeJP NA NA +PJ116153 STTTTRRY C40H68N14O15 984.4989 NA PeJP NA NA +PJ116154 SPVLLMYY C48H72N8O12S 984.4991 NA PeJP NA NA +PJ116155 TKMMRRY C41H72N14O10S2 984.4998 NA PeJP NA NA +PJ116156 NQQHFRR C41H64N18O11 984.5002 NA PeJP NA NA +PJ116157 GGGAQHFRR C41H64N18O11 984.5003 NA PeJP NA NA +PJ116158 PPLMRWW C49H68N12O8S 984.5004 NA PeJP NA NA +PJ116159 TTLLLMMY C45H76N8O12S2 984.5024 NA PeJP NA NA +PJ116160 GPVLEERW C45H68N12O13 984.5029 NA PeJP NA NA +PJ116161 GGGGGGGPPLLF C45H68N12O13 984.503 NA PeJP NA NA +PJ116162 TEMHRRR C38H68N18O11S 984.5036 NA PeJP NA NA +PJ116163 GPQRRWW C46H64N16O9 984.5043 NA PeJP NA NA +PJ116164 SSTLKMRY C42H72N12O13S 984.5063 NA PeJP NA NA +PJ116165 AAPLLEWW C50H68N10O11 984.5069 NA PeJP NA NA +PJ116166 AAPILEWW C50H68N10O11 984.507 NA PeJP NA NA +PJ116167 SLMHRRW C43H68N16O9S 984.5076 NA PeJP NA NA +PJ116168 SSTLEHRR C39H68N16O14 984.5101 NA PeJP NA NA +PJ116169 GGGPKEERR C39H68N16O14 984.5102 NA PeJP NA NA +PJ116170 PPVVKEMW C47H72N10O11S 984.5103 NA PeJP NA NA +PJ116171 PLLFFYW C55H68N8O9 984.511 NA PeJP NA NA +PJ116172 DKHHHRR C40H64N20O10 984.5115 NA PeJP NA NA +PJ116173 SSSSTLLKY C43H72N10O16 984.5128 NA PeJP NA NA +PJ116174 ATLKKMMY C44H76N10O11S2 984.5137 NA PeJP NA NA +PJ116175 ATTTLHRW C44H68N14O12 984.5141 NA PeJP NA NA +PJ116176 PLEERRW C44H68N14O12 984.5142 NA PeJP NA NA +PJ116177 LLLMFYW C52H72N8O9S 984.5143 NA PeJP NA NA +PJ116178 PPHHRRW C45H64N18O8 984.5155 NA PeJP NA NA +PJ116179 ATLLLEYY C48H72N8O14 984.5168 NA PeJP NA NA +PJ116180 SPPLEMRR C41H72N14O12S 984.5175 NA PeJP NA NA +PJ116181 GGGGGAPLLMR C41H72N14O12S 984.5176 NA PeJP NA NA +PJ116182 ALLLMMFF C49H76N8O9S2 984.5177 NA PeJP NA NA +PJ116183 PVLERWW C49H68N12O10 984.5182 NA PeJP NA NA +PJ116184 GSPQERRR C38H68N18O13 984.5214 NA PeJP NA NA +PJ116185 PKKMRYY C46H72N12O10S 984.5215 NA PeJP NA NA +PJ116186 SPPVLMRW C46H72N12O10S 984.5216 NA PeJP NA NA +PJ116187 PVVLWWW C54H68N10O8 984.5222 NA PeJP NA NA +PJ116188 SHHHRRR C39H64N22O9 984.5227 NA PeJP NA NA +PJ116189 GSSSTKKKY C42H72N12O15 984.524 NA PeJP NA NA +PJ116190 PVVKEEER C42H72N12O15 984.5241 NA PeJP NA NA +PJ116191 GCKKKKMY C43H76N12O10S2 984.5249 NA PeJP NA NA +PJ116192 PNKERRW C43H68N16O11 984.5254 NA PeJP NA NA +PJ116193 VKKMFFW C51H72N10O8S 984.5256 NA PeJP NA NA +PJ116194 APLLKEEW C47H72N10O13 984.5281 NA PeJP NA NA +PJ116195 ATTLMHRR C40H72N16O11S 984.5288 NA PeJP NA NA +MJ099125 12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside], 22-Ac C50H80O19 984.52938 NA MeJP NA NA +MJ099126 13,28-Epoxy-11-oleanene-3,16,23-triol, 23-Ac, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] C50H80O19 984.52938 NA MeJP NA NA +MJ099127 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-L-cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-digitoxopyranoside] C50H80O19 984.52938 NA MeJP NA NA +MJ099128 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester C50H80O19 984.52938 NA MeJP NA NA +PJ116196 PVNKRWW C48H68N14O9 984.5294 NA PeJP NA NA +PJ116197 TTTLKKMY C44H76N10O13S 984.5314 NA PeJP NA NA +PJ116198 ASPPLLKEM C44H76N10O13S 984.5315 NA PeJP NA NA +PJ116199 GPLLLFYY C52H72N8O11 984.5321 NA PeJP NA NA +PJ116200 NQQQRRR C37H68N20O12 984.5326 NA PeJP NA NA +PJ116201 APPCKKRW C45H72N14O9S 984.5328 NA PeJP NA NA +PJ116202 SPVLEERR C41H72N14O14 984.5353 NA PeJP NA NA +PJ116203 GLLLLMYY C49H76N8O11S 984.5355 NA PeJP NA NA +PJ116204 PPVVMMRR C42H76N14O9S2 984.5362 NA PeJP NA NA +PJ116205 SPQRRRW C42H68N18O10 984.5366 NA PeJP NA NA +PJ116206 APTLLERW C46H72N12O12 984.5393 NA PeJP NA NA +PJ116207 AAPQMRRR C39H72N18O10S 984.54 NA PeJP NA NA +PJ116208 GPKRRWW C47H68N16O8 984.5407 NA PeJP NA NA +PJ116209 STCKKKKY C43H76N12O12S 984.5427 NA PeJP NA NA +PJ116210 GPTLLLWW C51H72N10O10 984.5433 NA PeJP NA NA +PJ116211 NNNRRRR C36H68N22O11 984.5438 NA PeJP NA NA +PJ116212 GGGGNRRRR C36H68N22O11 984.5439 NA PeJP NA NA +PJ116213 CKKKHRW C44H72N16O8S 984.544 NA PeJP NA NA +PJ116214 TTTTLHRR C40H72N16O13 984.5465 NA PeJP NA NA +PJ116215 GGGGGGGGLLKR C40H72N16O13 984.5466 NA PeJP NA NA +PJ116216 PPTLLKMW C48H76N10O10S 984.5467 NA PeJP NA NA +MJ099129 Fungisporin C56H72N8O8 984.547311 NA MeJP NA NA +PJ116217 LLLFFFW C56H72N8O8 984.5474 NA PeJP NA NA +PJ116218 PLLKKEEE C44H76N10O15 984.5492 NA PeJP NA NA +PJ116219 GPPVLLKMM C45H80N10O10S2 984.5501 NA PeJP NA NA +PJ116220 AAPKKERW C45H72N14O11 984.5505 NA PeJP NA NA +PJ116221 GPVDKKRW C45H72N14O11 984.5506 NA PeJP NA NA +PJ116222 PNMRRRR C38H72N20O9S 984.5512 NA PeJP NA NA +PJ116223 STLLLLYY C49H76N8O13 984.5532 NA PeJP NA NA +PJ116224 APLLEMRR C42H76N14O11S 984.5539 NA PeJP NA NA +PJ116225 PLQKKWW C50H72N12O9 984.5546 NA PeJP NA NA +PJ116226 AAQQQKRR C39H72N18O12 984.5577 NA PeJP NA NA +PJ116227 GSPKERRR C39H72N18O12 984.5578 NA PeJP NA NA +PJ116228 GPLLLMRW C47H76N12O9S 984.5579 NA PeJP NA NA +PJ116229 PTLLKEER C43H76N12O14 984.5604 NA PeJP NA NA +PJ116230 GGVLLLEER C43H76N12O14 984.5605 NA PeJP NA NA +PJ116231 PPLLKMMR C44H80N12O9S2 984.5613 NA PeJP NA NA +PJ116232 PDKKRRW C44H72N16O10 984.5618 NA PeJP NA NA +PJ116233 SPLLLKEW C48H76N10O12 984.5645 NA PeJP NA NA +PJ116234 ASKKKMHR C41H76N16O10S 984.5651 NA PeJP NA NA +PJ116235 GPLQKMRR C41H76N16O10S 984.5652 NA PeJP NA NA +PJ116236 VLKHFRW C49H72N14O8 984.5658 NA PeJP NA NA +PJ116237 AAPLLLKEM C45H80N10O12S 984.5678 NA PeJP NA NA +PJ116238 GLLLLFFY C53H76N8O10 984.5685 NA PeJP NA NA +PJ116239 VNERRRR C38H72N20O11 984.569 NA PeJP NA NA +PJ116240 KKKKMHW C46H76N14O8S 984.5692 NA PeJP NA NA +PJ116241 GLLLEERR C42H76N14O13 984.5717 NA PeJP NA NA +PJ116242 SPKRRRW C43H72N18O9 984.573 NA PeJP NA NA +PJ116243 GVLLLERW C47H76N12O11 984.5757 NA PeJP NA NA +PJ116244 AAPKMRRR C40H76N18O9S 984.5764 NA PeJP NA NA +PJ116245 PVLLKEMR C44H80N12O11S 984.5791 NA PeJP NA NA +PJ116246 AALLLLWW C52H76N10O9 984.5797 NA PeJP NA NA +PJ116247 GERRRRR C37H72N22O10 984.5802 NA PeJP NA NA +PJ116248 APTKKERR C41H76N16O12 984.5829 NA PeJP NA NA +PJ116249 PVVLLKMW C49H80N10O9S 984.5831 NA PeJP NA NA +PJ116250 GVRRRRW C42H72N20O8 984.5843 NA PeJP NA NA +PJ116251 LLLLQKEE C45H80N10O14 984.5856 NA PeJP NA NA +PJ116252 LLLERRW C46H76N14O10 984.5869 NA PeJP NA NA +MJ099130 Dolastatin 11 C50H80N8O12 984.58957 NA MeJP NA NA +MJ099131 Majusculamide C C50H80N8O12 984.58957 NA MeJP NA NA +PJ116253 SPLLLMRR C43H80N14O10S 984.5903 NA PeJP NA NA +PJ116254 VLLLRWW C51H76N12O8 984.591 NA PeJP NA NA +PJ116255 LQKERRR C40H76N18O11 984.5941 NA PeJP NA NA +PJ116256 AAVKERRR C40H76N18O11 984.5942 NA PeJP NA NA +PJ116257 RRRRRW C41H72N22O7 984.5955 NA PeJP NA NA +PJ116258 VVLLKEER C44H80N12O13 984.5968 NA PeJP NA NA +PJ116259 VLQKRRW C45H76N16O9 984.5982 NA PeJP NA NA +PJ116260 VVVLLKEW C49H80N10O11 984.6008 NA PeJP NA NA +PJ116261 ALLLLKEW C49H80N10O11 984.6009 NA PeJP NA NA +PJ116262 GPLKKMRR C42H80N16O9S 984.6015 NA PeJP NA NA +PJ116263 GPTLLLLKM C46H84N10O11S 984.6042 NA PeJP NA NA +PJ116264 VDKRRRR C39H76N20O10 984.6054 NA PeJP NA NA +PJ116265 VVQQQKKK C43H80N14O12 984.608 NA PeJP NA NA +PJ116266 SVLLLERR C43H80N14O12 984.6081 NA PeJP NA NA +PJ116267 ALKRRRW C44H76N18O8 984.6094 NA PeJP NA NA +PJ116268 ATLLLLRW C48H80N12O10 984.6121 NA PeJP NA NA +PJ116269 VLLLLQMR C45H84N12O10S 984.6155 NA PeJP NA NA +PJ116270 SVRRRRR C38H76N22O9 984.6166 NA PeJP NA NA +PJ116271 GVLKKERR C42H80N16O11 984.6193 NA PeJP NA NA +PJ116272 LLLLKKEE C46H84N10O13 984.622 NA PeJP NA NA +PJ116273 AALLKKRW C47H80N14O9 984.6233 NA PeJP NA NA +PJ116274 ALLLLMRR C44H84N14O9S 984.6267 NA PeJP NA NA +PJ116275 LKKERRR C41H80N18O10 984.6305 NA PeJP NA NA +PJ116276 TLLLLKER C45H84N12O12 984.6332 NA PeJP NA NA +PJ116277 VLKKRRW C46H80N16O8 984.6346 NA PeJP NA NA +PJ116278 SLLLLLKW C50H84N10O10 984.6372 NA PeJP NA NA +PJ116279 AALLLLLKM C47H88N10O10S 984.6406 NA PeJP NA NA +PJ116280 TLKRRRR C40H80N20O9 984.6418 NA PeJP NA NA +PJ116281 TTLLLLRR C44H84N14O11 984.6444 NA PeJP NA NA +PJ116282 VVLDKKKR C44H84N14O11 984.6445 NA PeJP NA NA +PJ116283 GLLLKKKW C49H84N12O9 984.6485 NA PeJP NA NA +PJ116284 VLLLLKMR C46H88N12O9S 984.6518 NA PeJP NA NA +PJ116285 ATLLKKRR C43H84N16O10 984.6557 NA PeJP NA NA +PJ116286 ATTLLLLLK C47H88N10O12 984.6584 NA PeJP NA NA +PJ116287 AAKKKKRR C42H84N18O9 984.6669 NA PeJP NA NA +PJ116288 VLLKKKKE C46H88N12O11 984.6696 NA PeJP NA NA +PJ116289 SLLLKKKR C45H88N14O10 984.6808 NA PeJP NA NA +PJ116290 GLKKKKKR C44H88N16O9 984.6921 NA PeJP NA NA +PJ116291 VVKKKKKK C46H92N14O9 984.7172 NA PeJP NA NA +PJ116292 CCCCCCCDM C30H51N9O12S8 985.1423 NA PeJP NA NA +C17741 Feruloyl-diketide-CoA C33H46N7O20P3S 985.1731 NA KEGG NA NA +PJ116293 SCCCCCCMM C31H55N9O11S8 985.1787 NA PeJP NA NA +PJ116294 GCCCCCCEY C34H51N9O13S6 985.1931 NA PeJP NA NA +PJ116295 PCCCCCCDH C33H51N11O12S6 985.2043 NA PeJP NA NA +PJ116296 CCCCCCYW C38H51N9O10S6 985.2084 NA PeJP NA NA +PJ116297 SSCCCCCDY C34H51N9O15S5 985.2108 NA PeJP NA NA +PJ116298 ACCCCCCMF C35H55N9O10S7 985.2117 NA PeJP NA NA +PJ116299 GCCCCDDMH C33H51N11O14S5 985.2221 NA PeJP NA NA +PJ116300 GCCDDDDDE C33H47N9O22S2 985.2278 NA PeJP NA NA +PJ116301 GTCCCCCMY C35H55N9O12S6 985.2295 NA PeJP NA NA +PJ116302 SCCCCCNNH C32H51N13O13S5 985.2333 NA PeJP NA NA +PJ116303 CCCCCEHW C37H51N11O11S5 985.2374 NA PeJP NA NA +PJ116304 SSCCCCDEH C33H51N11O16S4 985.2398 NA PeJP NA NA +PJ116305 PCCCCNNDD C33H51N11O16S4 985.2399 NA PeJP NA NA +PJ116306 SPCCCCCMH C34H55N11O11S6 985.2407 NA PeJP NA NA +PJ116307 CCDDDDDW C37H47N9O19S2 985.243 NA PeJP NA NA +PJ116308 CCCCNDYY C38H51N9O14S4 985.2439 NA PeJP NA NA +PJ116309 SSCDDDDDD C33H47N9O24S 985.2455 NA PeJP NA NA +C16336 trans-2-Enoyl-OPC4-CoA C35H54N7O18P3S 985.2459 NA KEGG NA NA +HMDB11120 trans-2-Enoyl-OPC4-CoA C35H54N7O18P3S 985.245911 NA HMDB2010 NA NA +PJ116310 SPCCCDDDE C34H51N9O19S3 985.2464 NA PeJP NA NA +PJ116311 SSSCCCCMY C35H55N9O14S5 985.2472 NA PeJP NA NA +PJ116312 PPCCCCDDM C35H55N9O14S5 985.2473 NA PeJP NA NA +PJ116313 GCCNNDDDM C33H51N11O18S3 985.2576 NA PeJP NA NA +PJ116314 GSCCCDMMH C34H55N11O13S5 985.2585 NA PeJP NA NA +PJ116315 CCCCNMFY C39H55N9O11S5 985.2625 NA PeJP NA NA +PJ116316 GSCDDDDEM C34H51N9O21S2 985.2641 NA PeJP NA NA +PJ116317 GPCCDDDMM C35H55N9O16S4 985.265 NA PeJP NA NA +PJ116318 SCCCNNNND C32H51N13O17S3 985.2688 NA PeJP NA NA +PJ116319 GGGGSCCCNND C32H51N13O17S3 985.2689 NA PeJP NA NA +PJ116320 CCCNNDEW C37H51N11O15S3 985.2729 NA PeJP NA NA +PJ116321 TCCCCMHW C38H55N11O10S5 985.2737 NA PeJP NA NA +PJ116322 SSCCNNDDE C33H51N11O20S2 985.2754 NA PeJP NA NA +PJ116323 SSSCCCEMH C34H55N11O15S4 985.2762 NA PeJP NA NA +PJ116324 CCCQMMMH C35H59N11O10S6 985.2771 NA PeJP NA NA +PJ116325 GSCCCCHHH C35H51N15O11S4 985.2776 NA PeJP NA NA +PJ116326 NDDDDDDY C37H47N9O23 985.2785 NA PeJP NA NA +PJ116327 SCDDDDMW C38H51N9O18S2 985.2794 NA PeJP NA NA +PJ116328 SCCCNMYY C39H55N9O13S4 985.2802 NA PeJP NA NA +PJ116329 PCCCDEMW C39H55N9O13S4 985.2803 NA PeJP NA NA +PJ116330 SSSDDDDDM C34H51N9O23S 985.2819 NA PeJP NA NA +C02030 Farnesoyl-CoA C36H58N7O17P3S 985.2823 NA KEGG NA NA +C02031 G(5')pppR-RNA C20H31N5O23P4R2 985.2823 NA KEGG NA NA +PJ116331 NDDDDMMM C35H55N9O18S3 985.2828 NA PeJP NA NA +PJ116332 SPPCCCDMM C36H59N9O13S5 985.2836 NA PeJP NA NA +PJ116333 GPCCCDDHH C36H51N13O14S3 985.2841 NA PeJP NA NA +PJ116334 GCCCNNNQM C33H55N13O14S4 985.2875 NA PeJP NA NA +PJ116335 GCCCNDWW C41H51N11O12S3 985.2881 NA PeJP NA NA +PJ116336 CCCCMMHR C34H59N13O9S6 985.2883 NA PeJP NA NA +PJ116337 GSSCCNDDW C37H51N11O17S2 985.2906 NA PeJP NA NA +PJ116338 GSPCCCCQW C38H55N11O12S4 985.2915 NA PeJP NA NA +PJ116339 GSSSSCNDDD C33H51N11O22S 985.2931 NA PeJP NA NA +PJ116340 CCDDDEMR C34H55N11O17S3 985.294 NA PeJP NA NA +PJ116341 GSSCCMMMH C35H59N11O12S5 985.2949 NA PeJP NA NA +PJ116342 CCCCNFFF C43H55N9O10S4 985.2955 NA PeJP NA NA +PJ116343 GSPCDDDDY C38H51N9O20S 985.2972 NA PeJP NA NA +PJ116344 GCDDEMMW C39H55N9O15S3 985.298 NA PeJP NA NA +PJ116345 GCCCCNNNR C32H55N15O13S4 985.2987 NA PeJP NA NA +PJ116346 GSSDDDEMM C35H55N9O20S2 985.3005 NA PeJP NA NA +PJ116347 GSPCDDMMM C36H59N9O15S4 985.3014 NA PeJP NA NA +PJ116348 CNDDDMHH C36H51N13O16S2 985.3019 NA PeJP NA NA +PJ116349 APPCCCMMM C37H63N9O10S6 985.3023 NA PeJP NA NA +PJ116350 CCCCDHFR C37H55N13O11S4 985.3027 NA PeJP NA NA +HMDB06485 10-formyldihydrofolate C40H47N11O19 985.30499 http://www.hmdb.ca/metabolites/HMDB06485 HMDB NA NA +HMDB06485 10-formyldihydrofolate C40H47N11O19 985.30499 HMDB06485 PFEM_hmdb_metabocards_official NA NA +PJ116351 GSCCCNDER C33H55N13O16S3 985.3052 NA PeJP NA NA +PJ116352 GGGGGGGGSSCCM C33H55N13O16S3 985.3053 NA PeJP NA NA +PJ116353 GPCCCCNMR C34H59N13O11S5 985.3061 NA PeJP NA NA +PJ116354 GCCCMHFW C42H55N11O9S4 985.3068 NA PeJP NA NA +PJ116355 CNNNDDEY C37H51N11O19S 985.3084 NA PeJP NA NA +PJ116356 SCCNNEMW C38H55N11O14S3 985.3092 NA PeJP NA NA +PJ116357 GGGGSCCEMW C38H55N11O14S3 985.3093 NA PeJP NA NA +PJ116358 SSSCNNDEM C34H55N11O19S2 985.3117 NA PeJP NA NA +PJ116359 GGSSSCNDEM C34H55N11O19S2 985.3118 NA PeJP NA NA +PJ116360 GCDDDEFW C42H51N9O17S 985.3124 NA PeJP NA NA +PJ116361 SSSTCCMMH C35H59N11O14S4 985.3126 NA PeJP NA NA +PJ116362 GSCCNNDHH C35H51N15O15S2 985.3131 NA PeJP NA NA +PJ116363 CDDMMWW C43H55N9O12S3 985.3133 NA PeJP NA NA +PJ116364 CCCKMMMH C36H63N11O9S6 985.3135 NA PeJP NA NA +PJ116365 SNDDDEEY C38H51N9O22 985.3149 NA PeJP NA NA +PJ116366 SSDDDMMW C39H55N9O17S2 985.3158 NA PeJP NA NA +PJ116367 SPCCEMMW C40H59N9O12S4 985.3166 NA PeJP NA NA +PJ116368 GPPCCCEMF C40H59N9O12S4 985.3167 NA PeJP NA NA +PJ116369 GCCDEHHW C40H51N13O13S2 985.3171 NA PeJP NA NA +PJ116370 SSSSDDEEM C35H55N9O22S 985.3183 NA PeJP NA NA +PJ116371 SNDEEMMM C36H59N9O17S3 985.3191 NA PeJP NA NA +PJ116372 GGSDEEMMM C36H59N9O17S3 985.3192 NA PeJP NA NA +PJ116373 GSSCDDEHH C36H51N13O18S 985.3196 NA PeJP NA NA +PJ116374 CDEMYYY C44H55N7O15S2 985.3198 NA PeJP NA NA +PJ116375 PCNEMMMM C37H63N9O12S5 985.32 NA PeJP NA NA +PJ116376 SCCCNDRW C37H55N13O13S3 985.3205 NA PeJP NA NA +PJ116377 SSSCCNDDR C33H55N13O18S2 985.323 NA PeJP NA NA +PJ116378 GCNNDDYW C41H51N11O16S 985.3236 NA PeJP NA NA +PJ116379 GGGGGCDDYW C41H51N11O16S 985.3237 NA PeJP NA NA +PJ116380 CCCNQEMR C34H59N13O13S4 985.3238 NA PeJP NA NA +PJ116381 CCNNDMMR C34H59N13O13S4 985.3239 NA PeJP NA NA +PJ116382 GSCCNMWW C42H55N11O11S3 985.3245 NA PeJP NA NA +PJ116383 GSSNNDDDY C37H51N11O21 985.3261 NA PeJP NA NA +PJ116384 GSPDDDDEH C37H51N11O21 985.3262 NA PeJP NA NA +PJ116385 GSSSCNDMW C38H55N11O16S2 985.327 NA PeJP NA NA +PJ116386 CDDDFWW C46H51N9O14S 985.3277 NA PeJP NA NA +PJ116387 GCNNMMMW C39H59N11O11S4 985.3279 NA PeJP NA NA +PJ116388 GSSSSSNDDM C34H55N11O21S 985.3295 NA PeJP NA NA +PJ116389 GSDDDEYW C42H51N9O19 985.3302 NA PeJP NA NA +PJ116390 SCDDEMMR C35H59N11O16S3 985.3304 NA PeJP NA NA +PJ116391 GPCDDMYW C43H55N9O14S2 985.331 NA PeJP NA NA +PJ116392 PCCDMMMR C36H63N11O11S5 985.3313 NA PeJP NA NA +PJ116393 CCNNQMHH C36H55N15O12S3 985.3317 NA PeJP NA NA +PJ116394 PPCCCMFW C44H59N9O9S4 985.3319 NA PeJP NA NA +PJ116395 CCDHHWW C44H51N13O10S2 985.3324 NA PeJP NA NA +PJ116396 GNDEEEMY C39H55N9O19S 985.3335 NA PeJP NA NA +PJ116397 GSDEMMMW C40H59N9O14S3 985.3344 NA PeJP NA NA +PJ116398 SSCDDHHW C40H51N13O15S 985.3349 NA PeJP NA NA +PJ116399 CCCCNERR C33H59N15O12S4 985.3351 NA PeJP NA NA +PJ116400 GPCMMMMW C41H63N9O9S5 985.3353 NA PeJP NA NA +PJ116401 PTCCCHHW C41H55N13O10S3 985.3357 NA PeJP NA NA +PJ116402 GSSSEEEMM C36H59N9O19S2 985.3369 NA PeJP NA NA +PJ116403 SSSSDDDHH C36H51N13O20 985.3374 NA PeJP NA NA +PJ116404 GQEEMMMM C37H63N9O14S4 985.3378 NA PeJP NA NA +PJ116405 CNNNNNMY C37H55N13O15S2 985.3382 NA PeJP NA NA +PJ116406 GGGGGGCNNMY C37H55N13O15S2 985.3383 NA PeJP NA NA +PJ116407 CEMMFYY C45H59N7O12S3 985.3384 NA PeJP NA NA +PJ116408 GCCCQMRW C38H59N13O10S4 985.3391 NA PeJP NA NA +PJ116409 SSSSSSCNNN C33H55N13O20S 985.3407 NA PeJP NA NA +PJ116410 GGGGGGSSSSSSC C33H55N13O20S 985.3408 NA PeJP NA NA +PJ116411 SPDDDDHW C41H51N11O18 985.3414 NA PeJP NA NA +PJ116412 GSSCCNEMR C34H59N13O15S3 985.3416 NA PeJP NA NA +PJ116413 SSSCCQWW C42H55N11O13S2 985.3423 NA PeJP NA NA +PJ116414 APCCCCCKR C35H63N13O10S5 985.3425 NA PeJP NA NA +PJ116415 CCCNNHHR C35H55N17O11S3 985.343 NA PeJP NA NA +PJ116416 SSSSSCNEW C38H55N11O18S 985.3447 NA PeJP NA NA +PJ116417 GGSSSSSCEW C38H55N11O18S 985.3448 NA PeJP NA NA +PJ116418 SDDDYWW C46H51N9O16 985.3454 NA PeJP NA NA +PJ116419 SSCNQMMW C39H59N11O13S3 985.3456 NA PeJP NA NA +PJ116420 GGGGGGPCMMY C39H59N11O13S3 985.3457 NA PeJP NA NA +PJ116421 PCCEYWW C47H55N9O11S2 985.3463 NA PeJP NA NA +PJ116422 SSSSSSSNDE C34H55N11O23 985.3473 NA PeJP NA NA +PJ116423 SSSSNNEMM C35H59N11O18S2 985.3481 NA PeJP NA NA +MJ099132 NS Antibiotic complex; NS6 C37H63NO29 985.348575 NA MeJP NA NA +MJ099133 NS Antibiotic complex; NS7 C37H63NO29 985.348575 NA MeJP NA NA +PJ116424 GSNNNNDDH C35H51N15O19 985.3486 NA PeJP NA NA +PJ116425 NDEEMYW C43H55N9O16S 985.3488 NA PeJP NA NA +PJ116426 GDDMMMMR C36H63N11O13S4 985.349 NA PeJP NA NA +PJ116427 SCCDEHHR C36H55N15O14S2 985.3495 NA PeJP NA NA +PJ116428 SDMMMWW C44H59N9O11S3 985.3496 NA PeJP NA NA +PJ116429 SPPCCMYW C44H59N9O11S3 985.3497 NA PeJP NA NA +PJ116430 GCCCCRRW C37H59N15O9S4 985.3504 NA PeJP NA NA +PJ116431 SSNEEEEY C39H55N9O21 985.3513 NA PeJP NA NA +PJ116432 SSSEEMMW C40H59N9O16S2 985.3522 NA PeJP NA NA +PJ116433 GNNDDEHW C40H51N13O17 985.3526 NA PeJP NA NA +PJ116434 GGGGGDDEHW C40H51N13O17 985.3527 NA PeJP NA NA +PJ116435 PCDYYYY C48H55N7O14S 985.3528 NA PeJP NA NA +PJ116436 GSSCCCDRR C33H59N15O14S3 985.3529 NA PeJP NA NA +PJ116437 QEMMMMW C41H63N9O11S4 985.353 NA PeJP NA NA +PJ116438 GSCEMHHW C41H55N13O12S2 985.3535 NA PeJP NA NA +PJ116439 SSSSTEEEM C36H59N9O21S 985.3546 NA PeJP NA NA +PJ116440 STQEEMMM C37H63N9O16S3 985.3555 NA PeJP NA NA +PJ116441 SCNNDDRY C37H55N13O17S 985.356 NA PeJP NA NA +PJ116442 SEMMYYY C45H59N7O14S2 985.3562 NA PeJP NA NA +PJ116443 SPQMMMMM C38H67N9O11S5 985.3564 NA PeJP NA NA +PJ116444 SSCCNMRW C38H59N13O12S3 985.3569 NA PeJP NA NA +PJ116445 SCNDHHHH C38H51N17O13S 985.3573 NA PeJP NA NA +PJ116446 CCNQFWW C46H55N11O10S2 985.3575 NA PeJP NA NA +MJ099134 Antibiotic A 2121; Antibiotic A 2121-2-form, 12a-O-Deglycosyl C48H59NO21 985.357957 NA MeJP NA NA +PJ116447 SSSSCNDMR C34H59N13O17S2 985.3594 NA PeJP NA NA +PJ116448 GSSSSSCWW C42H55N11O15S 985.36 NA PeJP NA NA +PJ116449 SCNNMMMR C35H63N13O12S4 985.3602 NA PeJP NA NA +PJ116450 GGGGSCMMMR C35H63N13O12S4 985.3603 NA PeJP NA NA +PJ116451 GTCCCKWW C43H59N11O10S3 985.3609 NA PeJP NA NA +PJ116452 GSSSSSSSDW C38H55N11O20 985.3625 NA PeJP NA NA +PJ116453 GGGGAPPDDDE C38H55N11O20 985.3626 NA PeJP NA NA +PJ116454 GSSSSNMMW C39H59N11O15S2 985.3634 NA PeJP NA NA +PJ116455 PNDDDHHH C39H51N15O16 985.3639 NA PeJP NA NA +PJ116456 GDEMYWW C47H55N9O13S 985.364 NA PeJP NA NA +PJ116457 GPCDDFFW C47H55N9O13S 985.3641 NA PeJP NA NA +PJ116458 CEMMMRW C40H63N11O10S4 985.3643 NA PeJP NA NA +PJ116459 GSSSSSSQEM C35H59N11O20S 985.3659 NA PeJP NA NA +PJ116460 GSSEEEYW C43H55N9O18 985.3665 NA PeJP NA NA +PJ116461 GNDEEEFF C43H55N9O18 985.3666 NA PeJP NA NA +PJ116462 GSSSQQMMM C36H63N11O15S3 985.3667 NA PeJP NA NA +PJ116463 SSDEMMMR C36H63N11O15S3 985.3668 NA PeJP NA NA +PJ116464 SSSSCNQHH C36H55N15O16S 985.3672 NA PeJP NA NA +PJ116465 GGGGGGNNEMH C36H55N15O16S 985.3673 NA PeJP NA NA +PJ116466 GSPDMMYW C44H59N9O13S2 985.3674 NA PeJP NA NA +PJ116467 SPCMMMMR C37H67N11O10S5 985.3676 NA PeJP NA NA +PJ116468 NNDDHWW C44H51N13O14 985.3679 NA PeJP NA NA +PJ116469 GCDMMHHR C37H59N15O11S3 985.3681 NA PeJP NA NA +PJ116470 AMMMMWW C45H63N9O8S4 985.3683 NA PeJP NA NA +PJ116471 SCMHHWW C45H55N13O9S2 985.3687 NA PeJP NA NA +PJ116472 GPCCHHFW C45H55N13O9S2 985.3688 NA PeJP NA NA +PJ116473 GTQEEEMY C40H59N9O18S 985.3699 NA PeJP NA NA +PJ116474 SDEFYYY C48H55N7O16 985.3705 NA PeJP NA NA +PJ116475 GEEYYYY C48H55N7O16 985.3706 NA PeJP NA NA +PJ116476 GTTEMMMW C41H63N9O13S3 985.3708 NA PeJP NA NA +PJ116477 CNNNNNFF C41H55N13O14S 985.3712 NA PeJP NA NA +PJ116478 SSSDMHHW C41H55N13O14S 985.3713 NA PeJP NA NA +PJ116479 PCMFYYY C49H59N7O11S2 985.3714 NA PeJP NA NA +PJ116480 SCCCQMRR C34H63N15O11S4 985.3715 NA PeJP NA NA +PJ116481 NMMMHHW C42H59N13O9S3 985.3721 NA PeJP NA NA +MJ099135 Taxol?; 7-O-?-D-Xylopyranoside C52H59NO18 985.373214 NA MeJP NA NA +PJ116482 GSTTTEEMM C37H63N9O18S2 985.3733 NA PeJP NA NA +PJ116483 SSSSNNNNY C37H55N13O19 985.3737 NA PeJP NA NA +PJ116484 GGGGSSSSNNY C37H55N13O19 985.3738 NA PeJP NA NA +PJ116485 ASSPTMMMM C38H67N9O13S4 985.3741 NA PeJP NA NA +PJ116486 GKEEMMMM C38H67N9O13S4 985.3742 NA PeJP NA NA +PJ116487 GSSSTCCRW C38H59N13O14S2 985.3746 NA PeJP NA NA +PJ116488 GGGGGGGACCKY C38H59N13O14S2 985.3747 NA PeJP NA NA +PJ116489 CLMMYYY C46H63N7O11S3 985.3748 NA PeJP NA NA +PJ116490 SCNQYWW C46H55N11O12S 985.3753 NA PeJP NA NA +PJ116491 GCCCKMRW C39H63N13O9S4 985.3755 NA PeJP NA NA +PJ116492 GCQMHHHH C39H55N17O10S2 985.376 NA PeJP NA NA +PJ116493 GSSSSSSCER C34H59N13O19S 985.3771 NA PeJP NA NA +PJ116494 SSSNNEYW C42H55N11O17 985.3778 NA PeJP NA NA +PJ116495 GSSSCQMMR C35H63N13O14S3 985.378 NA PeJP NA NA +PJ116496 CNNNNDHR C35H55N17O15S 985.3785 NA PeJP NA NA +PJ116497 SSSCCKWW C43H59N11O12S2 985.3786 NA PeJP NA NA +PJ116498 GGGGQMMYW C43H59N11O12S2 985.3787 NA PeJP NA NA +PJ116499 DMYWWW C51H55N9O10S 985.3793 NA PeJP NA NA +PJ116500 SSSSSSQMW C39H59N11O17S 985.3811 NA PeJP NA NA +PJ116501 GSDEEMRY C39H59N11O17S 985.3812 NA PeJP NA NA +PJ116502 SSEEYWW C47H55N9O15 985.3818 NA PeJP NA NA +PJ116503 SSCNKMMW C40H63N11O12S3 985.382 NA PeJP NA NA +PJ116504 GNNNNMHW C40H55N15O13S 985.3825 NA PeJP NA NA +PJ116505 PTCMYWW C48H59N9O10S2 985.3827 NA PeJP NA NA +PJ116506 SSSSSSSTQE C35H59N11O22 985.3836 NA PeJP NA NA +PJ116507 SSSSNDKMM C36H63N11O17S2 985.3845 NA PeJP NA NA +PJ116508 SNNDDEHR C36H55N15O18 985.385 NA PeJP NA NA +PJ116509 TQEEMYW C44H59N9O15S 985.3852 NA PeJP NA NA +PJ116510 GTEMMMMR C37H67N11O12S4 985.3854 NA PeJP NA NA +PJ116511 EYYYYW C52H55N7O13 985.3858 NA PeJP NA NA +PJ116512 GCCNDRRY C37H59N15O13S2 985.3859 NA PeJP NA NA +PJ116513 TTMMMWW C45H63N9O10S3 985.386 NA PeJP NA NA +PJ116514 GGPPCMMFF C45H63N9O10S3 985.3861 NA PeJP NA NA +PJ116515 GSPCNHWW C45H55N13O11S 985.3865 NA PeJP NA NA +PJ116516 GCCHHHHR C38H55N19O9S2 985.3872 NA PeJP NA NA +PJ116517 SSDKEEEY C40H59N9O20 985.3877 NA PeJP NA NA +PJ116518 STTTEMMW C41H63N9O15S2 985.3885 NA PeJP NA NA +PJ116519 GGALDEMMY C41H63N9O15S2 985.3886 NA PeJP NA NA +PJ116520 DDEEHRW C41H55N13O16 985.389 NA PeJP NA NA +PJ116521 SPMYYYY C49H59N7O13S 985.3892 NA PeJP NA NA +PJ116522 KEMMMMW C42H67N9O10S4 985.3894 NA PeJP NA NA +PJ116523 CNNMRYW C42H59N13O11S2 985.3899 NA PeJP NA NA +PJ116524 SSTTTTEEM C37H63N9O20S 985.391 NA PeJP NA NA +PJ116525 STKEEMMM C38H67N9O15S3 985.3919 NA PeJP NA NA +PJ116526 SSSSSSCRW C38H59N13O16S 985.3924 NA PeJP NA NA +PJ116527 SPKMMMMM C39H71N9O10S5 985.3928 NA PeJP NA NA +PJ116528 GSSSNYWW C46H55N11O14 985.393 NA PeJP NA NA +PJ116529 GGGPPDDWW C46H55N11O14 985.3931 NA PeJP NA NA +PJ116530 STCCCKRW C39H63N13O11S3 985.3933 NA PeJP NA NA +PJ116531 SSNMHHHH C39H55N17O12S 985.3937 NA PeJP NA NA +PJ116532 GGGGGAPCHHH C39H55N17O12S 985.3938 NA PeJP NA NA +PJ116533 CCNKFWW C47H59N11O9S2 985.3939 NA PeJP NA NA +PJ116534 SSSSSSSSDR C34H59N13O21 985.3949 NA PeJP NA NA +PJ116535 SSSSSNMMR C35H63N13O16S2 985.3957 NA PeJP NA NA +PJ116536 GGSSSSSMMR C35H63N13O16S2 985.3958 NA PeJP NA NA +PJ116537 SDEMRYW C43H59N11O14S 985.3964 NA PeJP NA NA +PJ116538 SCCQKMMR C36H67N13O11S4 985.3966 NA PeJP NA NA +PJ116539 GPDYYWW C51H55N9O12 985.3971 NA PeJP NA NA +PJ116540 PCMMRYW C44H63N11O9S3 985.3973 NA PeJP NA NA +PJ116541 MMFWWW C52H59N9O7S2 985.3979 NA PeJP NA NA +PJ116542 GSSSSSSTTW C39H59N11O19 985.3989 NA PeJP NA NA +PJ116543 GSSSTCKMW C40H63N11O14S2 985.3998 NA PeJP NA NA +PJ116544 SSNNNQHW C40H55N15O15 985.4002 NA PeJP NA NA +PJ116545 GSNDDHRW C40H55N15O15 985.4003 NA PeJP NA NA +PJ116546 ATEMYWW C48H59N9O12S 985.4004 NA PeJP NA NA +PJ116547 TMMMMRW C41H67N11O9S4 985.4006 NA PeJP NA NA +PJ116548 GCCKKMMW C41H67N11O9S4 985.4007 NA PeJP NA NA +PJ116549 GPCCQHRW C41H59N15O10S2 985.4011 NA PeJP NA NA +PJ116550 ACHHFWW C49H55N13O8S 985.4018 NA PeJP NA NA +PJ116551 GSSSSSSKEM C36H63N11O19S 985.4023 NA PeJP NA NA +PJ116552 GTTTEEYW C44H59N9O17 985.4029 NA PeJP NA NA +PJ116553 STTEMMMR C37H67N11O14S3 985.4031 NA PeJP NA NA +PJ116554 GGGSSTKMMM C37H67N11O14S3 985.4032 NA PeJP NA NA +PJ116555 GNNEEMHR C37H59N15O15S 985.4036 NA PeJP NA NA +PJ116556 GGGGGGGPPCDR C37H59N15O15S 985.4037 NA PeJP NA NA +PJ116557 VQEMMYW C45H63N9O12S2 985.4038 NA PeJP NA NA +PJ116558 GVMMMMMR C38H71N11O9S5 985.404 NA PeJP NA NA +PJ116559 SNQEHWW C45H55N13O13 985.4043 NA PeJP NA NA +PJ116560 PCFFFYY C53H59N7O10S 985.4044 NA PeJP NA NA +PJ116561 GCCNMFRR C38H63N15O10S3 985.4045 NA PeJP NA NA +PJ116562 MMHHHFF C46H59N13O8S2 985.4051 NA PeJP NA NA +PJ116563 GTKEEEMY C41H63N9O17S 985.4063 NA PeJP NA NA +PJ116564 SVEYYYY C49H59N7O15 985.4069 NA PeJP NA NA +PJ116565 SSSSTCCRR C34H63N15O15S2 985.407 NA PeJP NA NA +PJ116566 SSTLMMMW C42H67N9O12S3 985.4072 NA PeJP NA NA +PJ116567 GSSCQRYW C42H59N13O13S 985.4076 NA PeJP NA NA +PJ116568 GGAAQEMHW C42H59N13O13S 985.4077 NA PeJP NA NA +PJ116569 CLMFFYY C50H63N7O10S2 985.4078 NA PeJP NA NA +PJ116570 SCCCKMRR C35H67N15O10S4 985.4079 NA PeJP NA NA +PJ116571 GNNFYWW C50H55N11O11 985.4083 NA PeJP NA NA +PJ116572 SSSTTLEMM C38H67N9O17S2 985.4097 NA PeJP NA NA +PJ116573 GSSSSNERY C38H59N13O18 985.4101 NA PeJP NA NA +PJ116574 GTEEEEHR C38H59N13O18 985.4102 NA PeJP NA NA +PJ116575 SVKEMMMM C39H71N9O12S4 985.4105 NA PeJP NA NA +PJ116576 DDMMRRY C39H63N13O13S2 985.411 NA PeJP NA NA +PJ116577 GSSSTHHHH C39H55N17O14 985.4115 NA PeJP NA NA +PJ116578 SCNKYWW C47H59N11O11S 985.4116 NA PeJP NA NA +PJ116579 GGSCKYWW C47H59N11O11S 985.4117 NA PeJP NA NA +PJ116580 DFFWWW C55H55N9O9 985.4123 NA PeJP NA NA +PJ116581 PPCCHHHR C40H59N17O9S2 985.4124 NA PeJP NA NA +PJ116582 GSSSSSSTMR C35H63N13O18S 985.4135 NA PeJP NA NA +PJ116583 SSSTQQYW C43H59N11O16 985.4141 NA PeJP NA NA +PJ116584 SSSNDKYW C43H59N11O16 985.4142 NA PeJP NA NA +PJ116585 GSSSCKMMR C36H67N13O13S3 985.4144 NA PeJP NA NA +PJ116586 SNNNNMHR C36H59N17O14S 985.4148 NA PeJP NA NA +PJ116587 GCNDEHRR C36H59N17O14S 985.4149 NA PeJP NA NA +PJ116588 AEMMRYW C44H63N11O11S2 985.415 NA PeJP NA NA +PJ116589 GGGGPPPMMW C44H63N11O11S2 985.4151 NA PeJP NA NA +PJ116590 MMMMMRR C37H71N13O8S5 985.4153 NA PeJP NA NA +PJ116591 GSPEHHHW C44H55N15O12 985.4155 NA PeJP NA NA +PJ116592 GPMFYWW C52H59N9O9S 985.4157 NA PeJP NA NA +PJ116593 SSSSSSKMW C40H63N11O16S 985.4175 NA PeJP NA NA +PJ116594 GGVVEEEMH C40H63N11O16S 985.4176 NA PeJP NA NA +PJ116595 TTTEYWW C48H59N9O14 985.4182 NA PeJP NA NA +PJ116596 STCCKKMW C41H67N11O11S3 985.4184 NA PeJP NA NA +PJ116597 NNEMHRW C41H59N15O12S 985.4189 NA PeJP NA NA +PJ116598 AVMMYWW C49H63N9O9S2 985.419 NA PeJP NA NA +PJ116599 GLMMYWW C49H63N9O9S2 985.4191 NA PeJP NA NA +PJ116600 GSQHWWW C49H55N13O10 985.4195 NA PeJP NA NA +PJ116601 SSSSSSSTKE C36H63N11O21 985.42 NA PeJP NA NA +PJ116602 SSSSTQKMM C37H67N11O16S2 985.4209 NA PeJP NA NA +PJ116603 SSNQEEHR C37H59N15O17 985.4214 NA PeJP NA NA +PJ116604 SPTTTMYW C45H63N9O14S 985.4215 NA PeJP NA NA +PJ116605 TKEEMYW C45H63N9O14S 985.4216 NA PeJP NA NA +PJ116606 SSLMMMMR C38H71N11O11S4 985.4218 NA PeJP NA NA +PJ116607 APFYYYY C53H59N7O12 985.4222 NA PeJP NA NA +PJ116608 GGGSCMRRY C38H63N15O12S2 985.4223 NA PeJP NA NA +PJ116609 PKMMMYW C46H67N9O9S3 985.4224 NA PeJP NA NA +PJ116610 GNNDHHHR C38H55N19O13 985.4227 NA PeJP NA NA +PJ116611 AQQMHWW C46H59N13O10S 985.4229 NA PeJP NA NA +PJ116612 ASSSTLEEY C41H63N9O19 985.424 NA PeJP NA NA +PJ116613 STTKEEEY C41H63N9O19 985.4241 NA PeJP NA NA +PJ116614 GVKEEMMY C42H67N9O14S2 985.4249 NA PeJP NA NA +PJ116615 SSSSNRYW C42H59N13O15 985.4254 NA PeJP NA NA +PJ116616 ALMYYYY C50H63N7O12S 985.4256 NA PeJP NA NA +PJ116617 APKMMMMF C43H71N9O9S4 985.4258 NA PeJP NA NA +PJ116618 CCQKRYW C43H63N13O10S2 985.4263 NA PeJP NA NA +PJ116619 NQQHHHW C43H55N17O11 985.4267 NA PeJP NA NA +PJ116620 GGGAQHHHW C43H55N17O11 985.4268 NA PeJP NA NA +PJ116621 TTTTTTTEM C38H67N9O19S 985.4274 NA PeJP NA NA +PJ116622 SSSSLLMMM C39H71N9O14S3 985.4283 NA PeJP NA NA +PJ116623 SSSQQMRY C39H63N13O15S 985.4288 NA PeJP NA NA +PJ116624 ALKMMMMM C40H75N9O9S5 985.4292 NA PeJP NA NA +PJ116625 SLEEHWW C47H59N11O13 985.4294 NA PeJP NA NA +PJ116626 DMMMFRR C40H67N13O10S3 985.4296 NA PeJP NA NA +PJ116627 GGGCKMMFR C40H67N13O10S3 985.4297 NA PeJP NA NA +PJ116628 CNDHRRW C40H59N17O11S 985.4301 NA PeJP NA NA +PJ116629 PVMMHWW C48H63N11O8S2 985.4303 NA PeJP NA NA +PJ116630 SPHHHWW C48H55N15O9 985.4308 NA PeJP NA NA +PJ116631 SSSSSSSTTR C35H63N13O20 985.4313 NA PeJP NA NA +PJ116632 SSSSTCKMR C36H67N13O15S2 985.4321 NA PeJP NA NA +PJ116633 SSNDDHRR C36H59N17O16 985.4326 NA PeJP NA NA +PJ116634 GGGGGGGGGGGSPR C36H59N17O16 985.4327 NA PeJP NA NA +PJ116635 TTEMRYW C44H63N11O13S 985.4328 NA PeJP NA NA +PJ116636 SCCKKMMR C37H71N13O10S4 985.433 NA PeJP NA NA +PJ116637 APTYYWW C52H59N9O11 985.4334 NA PeJP NA NA +PJ116638 GGPEFFFW C52H59N9O11 985.4335 NA PeJP NA NA +PJ116639 CLMMFRW C45H67N11O8S3 985.4337 NA PeJP NA NA +PJ116640 GNMHRWW C45H59N15O9S 985.4341 NA PeJP NA NA +PJ116641 STTTEERY C40H63N11O18 985.4353 NA PeJP NA NA +PJ116642 SPTTMMRY C41H67N11O13S2 985.4361 NA PeJP NA NA +PJ116643 KEEMMRY C41H67N11O13S2 985.4362 NA PeJP NA NA +PJ116644 GSSQEHRW C41H59N15O14 985.4366 NA PeJP NA NA +PJ116645 GGGGGPNERW C41H59N15O14 985.4367 NA PeJP NA NA +PJ116646 STLMYWW C49H63N9O11S 985.4368 NA PeJP NA NA +PJ116647 GPCCKHRW C42H63N15O9S2 985.4375 NA PeJP NA NA +PJ116648 GPQHHHHH C42H55N19O10 985.438 NA PeJP NA NA +PJ116649 GSSSSTTTKM C37H67N11O18S 985.4387 NA PeJP NA NA +PJ116650 SSTTLEYW C45H63N9O16 985.4393 NA PeJP NA NA +PJ116651 GSSSKKMMM C38H71N11O13S3 985.4395 NA PeJP NA NA +PJ116652 SSSCQRRY C38H63N15O14S 985.44 NA PeJP NA NA +PJ116653 VKEMMYW C46H67N9O11S2 985.4402 NA PeJP NA NA +PJ116654 SNKEHWW C46H59N13O12 985.4406 NA PeJP NA NA +PJ116655 GGSKEHWW C46H59N13O12 985.4407 NA PeJP NA NA +PJ116656 CLFFFFY C54H63N7O9S 985.4408 NA PeJP NA NA +PJ116657 ACCCKFRR C39H67N15O9S3 985.4409 NA PeJP NA NA +PJ116658 SSLKEEMY C42H67N9O16S 985.4427 NA PeJP NA NA +PJ116659 TTLYYYY C50H63N7O14 985.4433 NA PeJP NA NA +PJ116660 SPVKMMMY C43H71N9O11S3 985.4436 NA PeJP NA NA +PJ116661 GSSCKRYW C43H63N13O12S 985.444 NA PeJP NA NA +PJ116662 GGGGGAPPCKW C43H63N13O12S 985.4441 NA PeJP NA NA +PJ116663 SPPQWWW C51H59N11O10 985.4447 NA PeJP NA NA +PJ116664 STTTTTLMM C39H71N9O16S2 985.446 NA PeJP NA NA +PJ116665 GSSSSDKRY C39H63N13O17 985.4465 NA PeJP NA NA +PJ116666 GGGGPVEEER C39H63N13O17 985.4466 NA PeJP NA NA +PJ116667 TTLKMMMM C40H75N9O11S4 985.4469 NA PeJP NA NA +PJ116668 TEMMRRY C40H67N13O12S2 985.4474 NA PeJP NA NA +PJ116669 GNNNQHFR C40H59N17O13 985.4479 NA PeJP NA NA +PJ116670 CLLEHWW C48H63N11O10S 985.448 NA PeJP NA NA +PJ116671 VVEMHWW C48H63N11O10S 985.4481 NA PeJP NA NA +PJ116672 VFYWWW C56H59N9O8 985.4487 NA PeJP NA NA +PJ116673 SSSTQKYW C44H63N11O15 985.4505 NA PeJP NA NA +PJ116674 ATTLEEHW C44H63N11O15 985.4506 NA PeJP NA NA +PJ116675 GSNEMHRR C37H63N17O13S 985.4512 NA PeJP NA NA +PJ116676 GGGSEMHRR C37H63N17O13S 985.4513 NA PeJP NA NA +PJ116677 SLMMRYW C45H67N11O10S2 985.4514 NA PeJP NA NA +PJ116678 SSQHRWW C45H59N15O11 985.4519 NA PeJP NA NA +PJ116679 GLMFFWW C53H63N9O8S 985.4521 NA PeJP NA NA +PJ116680 SSTLEMRY C41H67N11O15S 985.4539 NA PeJP NA NA +PJ116681 PTKEYYW C49H63N9O13 985.4546 NA PeJP NA NA +PJ116682 AALMMMRY C42H71N11O10S3 985.4548 NA PeJP NA NA +PJ116683 GPPCDRRW C42H63N15O11S 985.4553 NA PeJP NA NA +PJ116684 PKMMFFW C50H67N9O8S2 985.4554 NA PeJP NA NA +PJ116685 GSKHWWW C50H59N13O9 985.4559 NA PeJP NA NA +PJ116686 SSSSSTTTTK C37H67N11O20 985.4564 NA PeJP NA NA +PJ116687 SSSSTKKMM C38H71N11O15S2 985.4573 NA PeJP NA NA +PJ116688 ASSSNQQKH C38H63N15O16 985.4577 NA PeJP NA NA +PJ116689 GSSSSSRRY C38H63N15O16 985.4578 NA PeJP NA NA +PJ116690 SSSLLMYW C46H67N9O13S 985.4579 NA PeJP NA NA +PJ116691 PPVVEEMW C46H67N9O13S 985.458 NA PeJP NA NA +PJ116692 SCKKKMMM C39H75N11O10S4 985.4582 NA PeJP NA NA +PJ116693 ALFFYYY C54H63N7O11 985.4586 NA PeJP NA NA +PJ116694 GGGGALMMHR C39H67N15O11S2 985.4587 NA PeJP NA NA +PJ116695 LKMMMFW C47H71N9O8S3 985.4588 NA PeJP NA NA +PJ116696 DEHHHRR C39H59N19O12 985.4591 NA PeJP NA NA +PJ116697 PPNMRWW C47H63N13O9S 985.4593 NA PeJP NA NA +PJ116698 SSSSTLLEY C42H67N9O18 985.4604 NA PeJP NA NA +PJ116699 PLLQEEEE C42H67N9O18 985.4605 NA PeJP NA NA +PJ116700 ATLKEMMY C43H71N9O13S2 985.4613 NA PeJP NA NA +PJ116701 AAPQEERW C43H63N13O14 985.4618 NA PeJP NA NA +PJ116702 GSCDHRRR C36H63N19O12S 985.4625 NA PeJP NA NA +PJ116703 CCKKRYW C44H67N13O9S2 985.4627 NA PeJP NA NA +PJ116704 VDHHHRW C44H59N17O10 985.4631 NA PeJP NA NA +PJ116705 SSSQKMRY C40H67N13O14S 985.4651 NA PeJP NA NA +PJ116706 GGSSTKMRY C40H67N13O14S 985.4652 NA PeJP NA NA +PJ116707 GSPPKEWW C48H63N11O12 985.4658 NA PeJP NA NA +PJ116708 VMMMRRY C41H71N13O9S3 985.466 NA PeJP NA NA +PJ116709 SNMHRRW C41H63N17O10S 985.4665 NA PeJP NA NA +PJ116710 ALHHHWW C49H59N15O8 985.4671 NA PeJP NA NA +PJ116711 GHHFFRW C49H59N15O8 985.4672 NA PeJP NA NA +PJ116712 GPDDDRRR C37H63N17O15 985.469 NA PeJP NA NA +PJ116713 GSSKKMYW C45H67N11O12S 985.4692 NA PeJP NA NA +PJ116714 GVLYYWW C53H63N9O10 985.4698 NA PeJP NA NA +PJ116715 QQMMHRR C38H67N17O10S2 985.4699 NA PeJP NA NA +PJ116716 ACKHRWW C46H63N15O8S 985.4705 NA PeJP NA NA +PJ116717 GSSSTKKEY C41H67N11O17 985.4717 NA PeJP NA NA +PJ116718 ATTLMMRY C42H71N11O12S2 985.4725 NA PeJP NA NA +PJ116719 GGATKKMMY C42H71N11O12S2 985.4726 NA PeJP NA NA +PJ116720 PNEERRW C42H63N15O13 985.473 NA PeJP NA NA +PJ116721 GGGGGGGAPPFR C42H63N15O13 985.4731 NA PeJP NA NA +PJ116722 PVKMYYW C50H67N9O10S 985.4732 NA PeJP NA NA +PJ116723 KMMHHFR C43H67N15O8S2 985.4739 NA PeJP NA NA +PJ116724 GPKHHHHH C43H59N19O9 985.4744 NA PeJP NA NA +PJ116725 TTTTTLYW C46H67N9O15 985.4757 NA PeJP NA NA +PJ116726 SSSCKRRY C39H67N15O13S 985.4764 NA PeJP NA NA +PJ116727 GPLKMMFY C47H71N9O10S2 985.4766 NA PeJP NA NA +PJ116728 PVNERWW C47H63N13O11 985.477 NA PeJP NA NA +PJ116729 GGPVERWW C47H63N13O11 985.4771 NA PeJP NA NA +PJ116730 TTTLKEMY C43H71N9O15S 985.4791 NA PeJP NA NA +PJ116731 GLLKMMMY C44H75N9O10S3 985.4799 NA PeJP NA NA +PJ116732 GPPPLLMMM C44H75N9O10S3 985.48 NA PeJP NA NA +PJ116733 GNNNQQRR C36H63N19O14 985.4802 NA PeJP NA NA +PJ116734 GGGGGGGQQRR C36H63N19O14 985.4803 NA PeJP NA NA +PJ116735 GPPDKMRW C44H67N13O11S 985.4804 NA PeJP NA NA +PJ116736 SPPKWWW C52H63N11O9 985.4811 NA PeJP NA NA +PJ116737 GSSSTTKRY C40H67N13O16 985.4829 NA PeJP NA NA +PJ116738 GGGGGGGGGVLLE C40H67N13O16 985.483 NA PeJP NA NA +PJ116739 GTCKKMRY C41H71N13O11S2 985.4838 NA PeJP NA NA +PJ116740 GSSTHRRW C41H63N17O12 985.4843 NA PeJP NA NA +PJ116741 TLLMHWW C49H67N11O9S 985.4844 NA PeJP NA NA +PJ116742 SSSTKKYW C45H67N11O14 985.4869 NA PeJP NA NA +PJ116743 GGAPLKEEW C45H67N11O14 985.487 NA PeJP NA NA +PJ116744 SPPCDRRR C38H67N17O12S 985.4876 NA PeJP NA NA +PJ116745 GGGGGAAPMRR C38H67N17O12S 985.4877 NA PeJP NA NA +PJ116746 CKKKMYW C46H71N11O9S2 985.4878 NA PeJP NA NA +PJ116747 GPERRWW C46H63N15O10 985.4883 NA PeJP NA NA +PJ116748 TTTTLMRY C42H71N11O14S 985.4903 NA PeJP NA NA +PJ116749 VVKEYYW C50H67N9O12 985.4909 NA PeJP NA NA +PJ116750 AASLLYYW C50H67N9O12 985.491 NA PeJP NA NA +PJ116751 ACKKKMMF C43H75N11O9S3 985.4912 NA PeJP NA NA +PJ116752 TQKMHRW C43H67N15O10S 985.4916 NA PeJP NA NA +PJ116753 GSPPMRRW C43H67N15O10S 985.4917 NA PeJP NA NA +PJ116754 GPVRWWW C51H63N13O8 985.4923 NA PeJP NA NA +PJ116755 APTQEERR C39H67N15O15 985.4941 NA PeJP NA NA +PJ116756 GPDKEERR C39H67N15O15 985.4942 NA PeJP NA NA +PJ116757 PPTLLEMW C47H71N9O12S 985.4943 NA PeJP NA NA +PJ116758 APPQMMRR C40H71N15O10S2 985.495 NA PeJP NA NA +PJ116759 GSQKHHHR C40H63N19O11 985.4955 NA PeJP NA NA +PJ116760 AKKMHWW C48H67N13O8S 985.4957 NA PeJP NA NA +PJ116761 SSTTTTLLY C43H71N9O17 985.4968 NA PeJP NA NA +PJ116762 STLLKMMY C44H75N9O12S2 985.4977 NA PeJP NA NA +5525 hepcidin 25 ( LEAP-1) DTHFPICIFCCGCCHRSKCGMCCKT 985.4981 MH2+ Inhouse_peptide NA peptide +PJ116763 AAPKEERW C44H67N13O13 985.4982 NA PeJP NA NA +PJ116764 GSSMHRRR C37H67N19O11S 985.4989 NA PeJP NA NA +PJ116765 LLMMHRW C45H71N13O8S2 985.499 NA PeJP NA NA +PJ116766 GQHFRRW C45H63N17O9 985.4995 NA PeJP NA NA +PJ116767 SSSKKMRY C41H71N13O13S 985.5015 NA PeJP NA NA +PJ116768 AASPPKEMR C41H71N13O13S 985.5016 NA PeJP NA NA +PJ116769 PLQKEWW C49H67N11O11 985.5022 NA PeJP NA NA +PJ116770 TCKHRRW C42H67N17O9S 985.5029 NA PeJP NA NA +PJ116771 PRRWWW C50H63N15O7 985.5035 NA PeJP NA NA +PJ116772 GSPEERRR C38H67N17O14 985.5054 NA PeJP NA NA +MJ099136 Nacartocin C46H71N11O11S 985.505522 NA MeJP NA NA +PJ116773 SSLLLMHW C46H71N11O11S 985.5056 NA PeJP NA NA +PJ116774 PVKFFYW C54H67N9O9 985.5062 NA PeJP NA NA +PJ116775 APPCMRRR C39H71N17O9S2 985.5063 NA PeJP NA NA +PJ116776 SSSSSLKKY C42H71N11O16 985.508 NA PeJP NA NA +PJ116777 GSTTTTKKY C42H71N11O16 985.5081 NA PeJP NA NA +PJ116778 GTKKKMMY C43H75N11O11S2 985.5089 NA PeJP NA NA +PJ116779 GGGPPVLKMM C43H75N11O11S2 985.509 NA PeJP NA NA +PJ116780 PDKERRW C43H67N15O12 985.5094 NA PeJP NA NA +PJ116781 VLKMFYW C51H71N9O9S 985.5096 NA PeJP NA NA +PJ116782 PHHHFRR C44H63N19O8 985.5108 NA PeJP NA NA +2613 synthetic peptide inhibitors of (PEP) VYPFPGPIP 985.512 NA Inhouse_peptide NA peptide +PJ116783 SPLLLEEW C47H71N9O14 985.5121 NA PeJP NA NA +PJ116784 GPLQEMRR C40H71N15O12S 985.5128 NA PeJP NA NA +PJ116785 PPVLLMMW C48H75N9O9S2 985.513 NA PeJP NA NA +PJ116786 PVDKRWW C48H67N13O10 985.5134 NA PeJP NA NA +PJ116787 LMHHHRR C41H67N19O8S 985.5141 NA PeJP NA NA +PJ116788 AAPLLLEEM C44H75N9O14S 985.5155 NA PeJP NA NA +PJ116789 SSSTHRRR C37H67N19O13 985.5166 NA PeJP NA NA +PJ116790 GGGGGGGGAKRR C37H67N19O13 985.5167 NA PeJP NA NA +PJ116791 APPTKMRW C45H71N13O10S 985.5168 NA PeJP NA NA +PJ116792 VVLHFWW C53H67N11O8 985.5174 NA PeJP NA NA +PJ116793 APLKWWW C53H67N11O8 985.5175 NA PeJP NA NA +PJ116794 APKKEEER C41H71N13O15 985.5193 NA PeJP NA NA +PJ116795 SVLLMMHR C42H75N13O10S2 985.5202 NA PeJP NA NA +PJ116796 SPERRRW C42H67N17O11 985.5206 NA PeJP NA NA +PJ116797 GGGGLQRRW C42H67N17O11 985.5207 NA PeJP NA NA +PJ116798 CKKKFFW C50H71N11O8S 985.5208 NA PeJP NA NA +3405 ACE inhibitor YANPAVVRP 985.5209 ACE inhibitor Inhouse_peptide NA peptide +PJ116799 GPLKKEEW C46H71N11O13 985.5233 NA PeJP NA NA +PJ116800 AAPEMRRR C39H71N17O11S 985.524 NA PeJP NA NA +PJ116801 SPVRRWW C47H67N15O9 985.5247 NA PeJP NA NA +PJ116802 STTKKKMY C43H75N11O13S 985.5267 NA PeJP NA NA +PJ116803 TLLKYYW C51H71N9O11 985.5273 NA PeJP NA NA +PJ116804 PPVVLEFW C51H71N9O11 985.5274 NA PeJP NA NA +PJ116805 NNDRRRR C36H67N21O12 985.5279 NA PeJP NA NA +PJ116806 PLQMRRW C44H71N15O9S 985.528 NA PeJP NA NA +PJ116807 APTKEERR C40H71N15O14 985.5305 NA PeJP NA NA +PJ116808 GGGLLEERR C40H71N15O14 985.5306 NA PeJP NA NA +PJ116809 PVVLLEMW C48H75N9O11S 985.5307 NA PeJP NA NA +PJ116810 APPKMMRR C41H75N15O9S2 985.5314 NA PeJP NA NA +PJ116811 GQQRRRW C41H67N19O10 985.5319 NA PeJP NA NA +PJ116812 LLLLQEEE C44H75N9O16 985.5332 NA PeJP NA NA +PJ116813 APPTLLLMM C45H79N9O11S2 985.5341 NA PeJP NA NA +PJ116814 SSPLLQRW C45H71N13O12 985.5345 NA PeJP NA NA +PJ116815 GPTLKERW C45H71N13O12 985.5346 NA PeJP NA NA +PJ116816 GPCNKRRR C38H71N19O10S 985.5352 NA PeJP NA NA +PJ116817 PDMRRRR C38H71N19O10S 985.5353 NA PeJP NA NA +PJ116818 GKHFRRW C46H67N17O8 985.5359 NA PeJP NA NA +PJ116819 PPTKKEMR C42H75N13O12S 985.5379 NA PeJP NA NA +PJ116820 GGGGAAPLKKM C42H75N13O12S 985.538 NA PeJP NA NA +PJ116821 PLKKEWW C50H71N11O10 985.5386 NA PeJP NA NA +PJ116822 PCLRRRW C43H71N17O8S 985.5393 NA PeJP NA NA +PJ116823 LQEERRR C39H71N17O13 985.5418 NA PeJP NA NA +PJ116824 LLKMRYY C47H75N11O10S 985.5419 NA PeJP NA NA +PJ116825 SPPLKKMW C47H75N11O10S 985.542 NA PeJP NA NA +PJ116826 VLKFFFW C55H71N9O8 985.5426 NA PeJP NA NA +PJ116827 PQHHRRR C40H67N21O9 985.5431 NA PeJP NA NA +PJ116828 STTTTLLLH C43H75N11O15 985.5444 NA PeJP NA NA +PJ116829 VVLLEEER C43H75N11O15 985.5445 NA PeJP NA NA +PJ116830 TLLLKMMH C44H79N11O10S2 985.5453 NA PeJP NA NA +PJ116831 VLQERRW C44H71N15O11 985.5458 NA PeJP NA NA +PJ116832 ALLLLEEW C48H75N9O13 985.5485 NA PeJP NA NA +PJ116833 GPLKEMRR C41H75N15O11S 985.5492 NA PeJP NA NA +PJ116834 PTLKRWW C49H71N13O9 985.5498 NA PeJP NA NA +PJ116835 ASPLLLLEM C45H79N9O13S 985.5518 NA PeJP NA NA +PJ116836 GPTLLLLEM C45H79N9O13S 985.5519 NA PeJP NA NA +PJ116837 VDERRRR C38H71N19O12 985.553 NA PeJP NA NA +PJ116838 GPVLKMRW C46H75N13O9S 985.5532 NA PeJP NA NA +PJ116839 SPLKKEER C42H75N13O14 985.5557 NA PeJP NA NA +PJ116840 PPVKKMMR C43H79N13O9S2 985.5566 NA PeJP NA NA +PJ116841 ALERRRW C43H71N17O10 985.557 NA PeJP NA NA +PJ116842 SPVLKKEW C47H75N11O12 985.5597 NA PeJP NA NA +PJ116843 GPTLMRRR C40H75N17O10S 985.5604 NA PeJP NA NA +PJ116844 GLLRRWW C48H71N15O8 985.5611 NA PeJP NA NA +PJ116845 PLLQKKEM C44H79N11O12S 985.5631 NA PeJP NA NA +PJ116846 PPVVLLYW C52H75N9O10 985.5637 NA PeJP NA NA +PJ116847 SQQRRRR C37H71N21O11 985.5642 NA PeJP NA NA +PJ116848 GGGATRRRR C37H71N21O11 985.5643 NA PeJP NA NA +PJ116849 PLKMRRW C45H75N15O8S 985.5644 NA PeJP NA NA +PJ116850 GVLKEERR C41H75N15O13 985.5669 NA PeJP NA NA +PJ116851 GGGGGGAAVKKK C41H75N15O13 985.567 NA PeJP NA NA +PJ116852 PTLLLLMW C49H79N9O10S 985.5671 NA PeJP NA NA +PJ116853 GQKRRRW C42H71N19O9 985.5683 NA PeJP NA NA +PJ116854 LLLLKEEE C45H79N9O15 985.5696 NA PeJP NA NA +PJ116855 GPVLLLLMM C46H83N9O10S2 985.5705 NA PeJP NA NA +PJ116856 SSPLLKRW C46H75N13O11 985.5709 NA PeJP NA NA +PJ116857 AALLKERW C46H75N13O11 985.571 NA PeJP NA NA +PJ116858 PVVKKEMR C43H79N13O11S 985.5743 NA PeJP NA NA +PJ116859 LLLQKWW C51H75N11O9 985.575 NA PeJP NA NA +PJ116860 LKEERRR C40H75N17O12 985.5782 NA PeJP NA NA +PJ116861 APLLKKMW C48H79N11O9S 985.5783 NA PeJP NA NA +PJ116862 PKHHRRR C41H71N21O8 985.5795 NA PeJP NA NA +MJ099137 Dynastin 2 C44H79N11O14 985.580796 NA MeJP NA NA +PJ116863 TLLLLEER C44H79N11O14 985.5808 NA PeJP NA NA +PJ116864 GGLLLKKEE C44H79N11O14 985.5809 NA PeJP NA NA +PJ116865 PLLLLMMR C45H83N11O9S2 985.5817 NA PeJP NA NA +PJ116866 VLKERRW C45H75N15O10 985.5822 NA PeJP NA NA +PJ116867 SLLLLLEW C49H79N9O12 985.5849 NA PeJP NA NA +PJ116868 AVLLQMRR C42H79N15O10S 985.5855 NA PeJP NA NA +PJ116869 SPVLKMRR C42H79N15O10S 985.5856 NA PeJP NA NA +PJ116870 VVLKRWW C50H75N13O8 985.5862 NA PeJP NA NA +PJ116871 AALLLLLEM C46H83N9O12S 985.5882 NA PeJP NA NA +PJ116872 TLERRRR C39H75N19O11 985.5894 NA PeJP NA NA +PJ116873 ALLKKEER C43H79N13O13 985.5921 NA PeJP NA NA +PJ116874 SLLRRRW C44H75N17O9 985.5934 NA PeJP NA NA +PJ116875 GLLLKKEW C48H79N11O11 985.5961 NA PeJP NA NA +PJ116876 AALLMRRR C41H79N17O9S 985.5968 NA PeJP NA NA +PJ116877 VLLLLEMR C45H83N11O11S 985.5995 NA PeJP NA NA +PJ116878 PVVLLLFW C53H79N9O9 985.6001 NA PeJP NA NA +PJ116879 SQKRRRR C38H75N21O10 985.6006 NA PeJP NA NA +PJ116880 ATLLKERR C42H79N15O12 985.6033 NA PeJP NA NA +PJ116881 VVLLLLMW C50H83N9O9S 985.6035 NA PeJP NA NA +PJ116882 GKKRRRW C43H75N19O8 985.6047 NA PeJP NA NA +PJ116883 ATTLLLLLE C46H83N9O14 985.606 NA PeJP NA NA +PJ116884 GTLLLKRW C47H79N13O10 985.6073 NA PeJP NA NA +PJ116885 VLMRRRR C40H79N19O8S 985.608 NA PeJP NA NA +PJ116886 PTLLKKMR C44H83N13O10S 985.6107 NA PeJP NA NA +PJ116887 LLLKKWW C52H79N11O8 985.6113 NA PeJP NA NA +PJ116888 ATTLLRRR C41H79N17O11 985.6145 NA PeJP NA NA +PJ116889 GVDKKKRR C41H79N17O11 985.6146 NA PeJP NA NA +PJ116890 VLLKKKEE C45H83N11O13 985.6172 NA PeJP NA NA +PJ116891 LQKKKRW C46H79N15O9 985.6186 NA PeJP NA NA +PJ116892 GPVVLLLLY C50H83N9O11 985.6212 NA PeJP NA NA +PJ116893 AAPLLLLLY C50H83N9O11 985.6213 NA PeJP NA NA +PJ116894 GLLLKMRR C43H83N15O9S 985.6219 NA PeJP NA NA +PJ116895 GTLLLLLLM C47H87N9O11S 985.6246 NA PeJP NA NA +PJ116896 DKKKRRR C40H79N19O10 985.6258 NA PeJP NA NA +PJ116897 SLLLKKER C44H83N13O12 985.6285 NA PeJP NA NA +PJ116898 SVLLLKKW C49H83N11O10 985.6325 NA PeJP NA NA +PJ116899 LLLLQKKM C46H87N11O10S 985.6359 NA PeJP NA NA +PJ116900 SKKRRRR C39H79N21O9 985.637 NA PeJP NA NA +PJ116901 STLLLKRR C43H83N15O11 985.6397 NA PeJP NA NA +PJ116902 STTLLLLLL C47H87N9O13 985.6424 NA PeJP NA NA +PJ116903 GVLKKKKW C48H83N13O9 985.6437 NA PeJP NA NA +PJ116904 VVLLKKMR C45H87N13O9S 985.6471 NA PeJP NA NA +PJ116905 GTLKKKRR C42H83N17O10 985.6509 NA PeJP NA NA +PJ116906 GTTLLLLKK C46H87N11O12 985.6536 NA PeJP NA NA +PJ116907 LKKKKRW C47H83N15O8 985.6549 NA PeJP NA NA +PJ116908 AALLLLLLF C51H87N9O10 985.6576 NA PeJP NA NA +PJ116909 VVKKKKKE C45H87N13O11 985.6648 NA PeJP NA NA +PJ116910 GATILKKKK C45H87N13O11 985.6649 NA PeJP NA NA +PJ116911 VLLLLLFR C50H87N11O9 985.6689 NA PeJP NA NA +PJ116912 LLLLKKKM C47H91N11O9S 985.6722 NA PeJP NA NA +PJ116913 SVLKKKKR C44H87N15O10 985.6761 NA PeJP NA NA +MJ099138 Copiamycin; 21-O-Demalonyl, 15-Me ether C52H95N3O14 985.681404 NA MeJP NA NA +PJ116914 TLLKKKKK C46H91N13O10 985.7012 NA PeJP NA NA +PJ116915 AKKKKKKK C45H91N15O9 985.7125 NA PeJP NA NA +PJ116916 GSCCCCCCCC C29H50N10O12S8 986.1376 NA PeJP NA NA +PJ116917 SCCCCCNDH C32H50N12O14S5 986.2173 NA PeJP NA NA +PJ116918 GGSCCCCCDH C32H50N12O14S5 986.2174 NA PeJP NA NA +PJ116919 PCCCCNDDD C33H50N10O17S4 986.2239 NA PeJP NA NA +PJ116920 CCCCDDYY C38H50N8O15S4 986.2279 NA PeJP NA NA +PJ116921 CCCCMMMY C36H58N8O10S7 986.2321 NA PeJP NA NA +PJ116922 GCCCCCQMH C33H54N12O11S6 986.236 NA PeJP NA NA +PJ116923 GCCNDDDDM C33H50N10O19S3 986.2416 NA PeJP NA NA +PJ116924 GSPPCCCCCD C34H54N10O14S5 986.2425 NA PeJP NA NA +PJ116925 CCCCDMFY C39H54N8O12S5 986.2465 NA PeJP NA NA +PJ116926 GCCCCCCHR C32H54N14O10S6 986.2472 NA PeJP NA NA +PJ116927 SCCCNNNDD C32H50N12O18S3 986.2529 NA PeJP NA NA +PJ116928 SSCCCCNMH C33H54N12O13S5 986.2537 NA PeJP NA NA +PJ116929 GGGGGAPCCCCC C33H54N12O13S5 986.2538 NA PeJP NA NA +PJ116930 CCCNDDEW C37H50N10O16S3 986.2569 NA PeJP NA NA +PJ116931 SSCCNDDDE C33H50N10O21S2 986.2594 NA PeJP NA NA +PJ116932 SPCCCNDDM C34H54N10O16S4 986.2603 NA PeJP NA NA +PJ116933 CCCEMMMH C35H58N10O11S6 986.2611 NA PeJP NA NA +PJ116934 DDDDDDDY C37H46N8O24 986.2625 NA PeJP NA NA +PJ116935 SCCCDMYY C39H54N8O14S4 986.2643 NA PeJP NA NA +PJ116936 CCCCMMFF C40H58N8O9S6 986.2651 NA PeJP NA NA +PJ116937 DDDDDMMM C35H54N8O19S3 986.2668 NA PeJP NA NA +PJ116938 GSSSTCCCCH C33H54N12O15S4 986.2715 NA PeJP NA NA +PJ116939 GCCCDDWW C41H50N10O13S3 986.2721 NA PeJP NA NA +PJ116940 PPCCCCCCR C34H58N12O10S6 986.2724 NA PeJP NA NA +PJ116941 GSSCCDDDW C37H50N10O18S2 986.2746 NA PeJP NA NA +PJ116942 GSPCCCCEW C38H54N10O13S4 986.2755 NA PeJP NA NA +PJ116943 GSSSSCDDDD C33H50N10O23S 986.2771 NA PeJP NA NA +PJ116944 GSCNDDDMM C34H54N10O18S3 986.278 NA PeJP NA NA +PJ116945 GPCCCNEMM C35H58N10O13S5 986.2789 NA PeJP NA NA +PJ116946 CCCCDFFF C43H54N8O11S4 986.2795 NA PeJP NA NA +PJ116947 DDDDDDMF C38H50N8O21S 986.2812 NA PeJP NA NA +PJ116948 GCCCCNNDR C32H54N14O14S4 986.2827 NA PeJP NA NA +PJ116949 ACCCMMYY C40H58N8O11S5 986.2829 NA PeJP NA NA +PJ116950 CDDDDMHH C36H50N12O17S2 986.2859 NA PeJP NA NA +PJ116951 CCCNNNMW C37H54N12O12S4 986.2867 NA PeJP NA NA +PJ116952 GGGGCCCNMW C37H54N12O12S4 986.2868 NA PeJP NA NA +PJ116953 SSSSSSCCCH C33H54N12O17S3 986.2892 NA PeJP NA NA +PJ116954 GSCCCDDER C33H54N12O17S3 986.2893 NA PeJP NA NA +PJ116955 GPCCCCDMR C34H58N12O12S5 986.2901 NA PeJP NA NA +PJ116956 SPCCCCWW C42H54N10O10S4 986.2908 NA PeJP NA NA +PJ116957 CNNDDDEY C37H50N10O20S 986.2924 NA PeJP NA NA +PJ116958 SCCNDEMW C38H54N10O15S3 986.2933 NA PeJP NA NA +PJ116959 PCCCNMMW C39H58N10O10S5 986.2941 NA PeJP NA NA +PJ116960 SSSCNDDEM C34H54N10O20S2 986.2958 NA PeJP NA NA +PJ116961 CNNDEMMM C35H58N10O15S4 986.2966 NA PeJP NA NA +PJ116962 GGGGCDEMMM C35H58N10O15S4 986.2967 NA PeJP NA NA +PJ116963 GSCCNDDHH C35H50N14O16S2 986.2971 NA PeJP NA NA +PJ116964 GCCCEFYY C43H54N8O13S3 986.2973 NA PeJP NA NA +PJ116965 TCCMMMMH C36H62N10O10S6 986.2975 NA PeJP NA NA +PJ116966 GPCCCCQHH C36H54N14O11S4 986.298 NA PeJP NA NA +PJ116967 SDDDDEEY C38H50N8O23 986.2989 NA PeJP NA NA +PJ116968 PCDDDEMY C39H54N8O18S2 986.2998 NA PeJP NA NA +PJ116969 SSCCMMYY C40H58N8O13S4 986.3006 NA PeJP NA NA +PJ116970 SDDEEMMM C36H58N8O18S3 986.3032 NA PeJP NA NA +PJ116971 GPCNDDDDH C36H50N12O19S 986.3036 NA PeJP NA NA +PJ116972 GGGPCDDDDH C36H50N12O19S 986.3037 NA PeJP NA NA +PJ116973 PCDEMMMM C37H62N8O13S5 986.304 NA PeJP NA NA +PJ116974 SCCCDDRW C37H54N12O14S3 986.3045 NA PeJP NA NA +PJ116975 SSSCCDDDR C33H54N12O19S2 986.307 NA PeJP NA NA +PJ116976 GCNDDDYW C41H50N10O17S 986.3077 NA PeJP NA NA +PJ116977 CCNDDMMR C34H58N12O14S4 986.3079 NA PeJP NA NA +PJ116978 GSCCDMWW C42H54N10O12S3 986.3085 NA PeJP NA NA +PJ116979 GSSNDDDDY C37H50N10O22 986.3102 NA PeJP NA NA +PJ116980 GSSSCDDMW C38H54N10O17S2 986.311 NA PeJP NA NA +PJ116981 GCNDMMMW C39H58N10O12S4 986.3119 NA PeJP NA NA +PJ116982 CCCFYYW C47H54N8O10S3 986.3125 NA PeJP NA NA +PJ116983 GSSSSSDDDM C34H54N10O22S 986.3135 NA PeJP NA NA +PJ116984 GSSNDDMMM C35H58N10O17S3 986.3144 NA PeJP NA NA +PJ116985 GSCCEYYY C43H54N8O15S2 986.315 NA PeJP NA NA +PJ116986 GSPCCQMMM C36H62N10O12S5 986.3153 NA PeJP NA NA +PJ116987 CCNNEMHH C36H54N14O13S3 986.3157 NA PeJP NA NA +PJ116988 GGGGCCEMHH C36H54N14O13S3 986.3158 NA PeJP NA NA +PJ116989 ACCCMFFY C44H58N8O10S4 986.3159 NA PeJP NA NA +PJ116990 GDDEEEMY C39H54N8O20S 986.3176 NA PeJP NA NA +PJ116991 PCDDEMMF C40H58N8O15S3 986.3184 NA PeJP NA NA +PJ116992 CCCCDERR C33H58N14O13S4 986.3191 NA PeJP NA NA +PJ116993 CCCNNHFF C41H54N12O11S3 986.3198 NA PeJP NA NA +PJ116994 NNDDDEEH C36H50N12O21 986.3214 NA PeJP NA NA +PJ116995 GEEEMMMM C37H62N8O15S4 986.3218 NA PeJP NA NA +PJ116996 SSSSCCNNW C37H54N12O16S2 986.3222 NA PeJP NA NA +PJ116997 GGSSSSCCNW C37H54N12O16S2 986.3223 NA PeJP NA NA +PJ116998 GCCCEMRW C38H58N12O11S4 986.3231 NA PeJP NA NA +PJ116999 TCCCWWW C46H54N10O9S3 986.3238 NA PeJP NA NA +PJ117000 SSSSSSCNND C33H54N12O21S 986.3247 NA PeJP NA NA +PJ117001 GGSSSSSSCND C33H54N12O21S 986.3248 NA PeJP NA NA +PJ117002 GSSCCDEMR C34H58N12O16S3 986.3256 NA PeJP NA NA +PJ117003 SSSCCEWW C42H54N10O14S2 986.3263 NA PeJP NA NA +PJ117004 GSPCCCMMR C35H62N12O11S5 986.3265 NA PeJP NA NA +FL5FAAGI0014 Diphylloside C C44H58O25 986.32671 125028-59-3 knapsack NA NA +MJ099139 3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C44H58O25 986.326717 NA MeJP NA NA +PJ117005 CCCNDHHR C35H54N16O12S3 986.327 NA PeJP NA NA +PJ117006 CCQMMWW C43H58N10O9S4 986.3271 NA PeJP NA NA +PJ117007 GACCMMWW C43H58N10O9S4 986.3272 NA PeJP NA NA +PJ117008 SSSSSCDEW C38H54N10O19S 986.3288 NA PeJP NA NA +PJ117009 SSCNEMMW C39H58N10O14S3 986.3296 NA PeJP NA NA +PJ117010 GGSSCEMMW C39H58N10O14S3 986.3297 NA PeJP NA NA +PJ117011 SCCYYYW C47H54N8O12S2 986.3303 NA PeJP NA NA +PJ117012 GCMMMMHF C40H62N10O9S5 986.3305 NA PeJP NA NA +PJ117013 GCCNMHHW C40H54N14O10S3 986.331 NA PeJP NA NA +PJ117014 SSSSSSSDDE C34H54N10O24 986.3313 NA PeJP NA NA +PJ117015 SSSSNDEMM C35H58N10O19S2 986.3321 NA PeJP NA NA +PJ117016 GGSSSSDEMM C35H58N10O19S2 986.3322 NA PeJP NA NA +PJ117017 GSNNNDDDH C35H50N14O20 986.3326 NA PeJP NA NA +PJ117018 GGGGGGGSDDDH C35H50N14O20 986.3327 NA PeJP NA NA +PJ117019 DDEEMYW C43H54N8O17S 986.3328 NA PeJP NA NA +PJ117020 SNNEMMMM C36H62N10O14S4 986.333 NA PeJP NA NA +PJ117021 GSSCNDMHH C36H54N14O15S2 986.3335 NA PeJP NA NA +PJ117022 CNMMYYY C44H58N8O12S3 986.3337 NA PeJP NA NA +PJ117023 GPCCCCKHH C37H58N14O10S4 986.3344 NA PeJP NA NA +PJ117024 SSDEEEEY C39H54N8O22 986.3353 NA PeJP NA NA +PJ117025 SPDDEMMY C40H58N8O17S2 986.3362 NA PeJP NA NA +PJ117026 GNDDDEHW C40H50N12O18 986.3367 NA PeJP NA NA +PJ117027 SSSCCCNQR C33H58N14O15S3 986.3369 NA PeJP NA NA +PJ117028 EEMMMMW C41H62N8O12S4 986.337 NA PeJP NA NA +PJ117029 GCCNNQYW C41H54N12O13S2 986.3375 NA PeJP NA NA +PJ117030 CCCMRWW C42H58N12O8S4 986.3384 NA PeJP NA NA +PJ117031 STEEEMMM C37H62N8O17S3 986.3395 NA PeJP NA NA +PJ117032 SCNDDDRY C37H54N12O18S 986.34 NA PeJP NA NA +PJ117033 SPEMMMMM C38H66N8O12S5 986.3404 NA PeJP NA NA +PJ117034 SSCCDMRW C38H58N12O13S3 986.3409 NA PeJP NA NA +PJ117035 SCDDHHHH C38H50N16O14S 986.3414 NA PeJP NA NA +PJ117036 CCNEFWW C46H54N10O11S2 986.3415 NA PeJP NA NA +PJ117037 SSSSCDDMR C34H58N12O18S2 986.3434 NA PeJP NA NA +PJ117038 GSNDDMYW C42H54N10O16S 986.344 NA PeJP NA NA +PJ117039 GGGGPCDDFY C42H54N10O16S 986.3441 NA PeJP NA NA +PJ117040 SCNDMMMR C35H62N12O13S4 986.3442 NA PeJP NA NA +PJ117041 GGSCDMMMR C35H62N12O13S4 986.3443 NA PeJP NA NA +PJ117042 GSSCMMWW C43H58N10O11S3 986.3449 NA PeJP NA NA +PJ117043 GSSSNDEEY C38H54N10O21 986.3465 NA PeJP NA NA +PJ117044 GEEEEEEH C38H54N10O21 986.3466 NA PeJP NA NA +PJ117045 GSSSSDMMW C39H58N10O16S2 986.3474 NA PeJP NA NA +PJ117046 PDDDDHHH C39H50N14O17 986.3479 NA PeJP NA NA +PJ117047 CNDFYYY C47H54N8O14S 986.348 NA PeJP NA NA +PJ117048 GGCDFYYY C47H54N8O14S 986.3481 NA PeJP NA NA +PJ117049 GSNMMMMW C40H62N10O11S4 986.3483 NA PeJP NA NA +PJ117050 SSCCQHHW C40H54N14O12S2 986.3487 NA PeJP NA NA +PJ117051 GGSTCCHHW C40H54N14O12S2 986.3488 NA PeJP NA NA +PJ117052 ACCCFFFF C48H58N8O9S3 986.3489 NA PeJP NA NA +PJ117053 GSSSSSSEEM C35H58N10O21S 986.3499 NA PeJP NA NA +PJ117054 GPDDEEYY C43H54N8O19 986.3506 NA PeJP NA NA +PJ117055 GSSSQEMMM C36H62N10O16S3 986.3508 NA PeJP NA NA +PJ117056 SSSSCNEHH C36H54N14O17S 986.3512 NA PeJP NA NA +PJ117057 GGSSSSCEHH C36H54N14O17S 986.3513 NA PeJP NA NA +PJ117058 DEEMMFW C44H58N8O14S2 986.3514 NA PeJP NA NA +PJ117059 GQQMMMMM C37H66N10O11S5 986.3516 NA PeJP NA NA +PJ117060 GGAQMMMMM C37H66N10O11S5 986.3517 NA PeJP NA NA +PJ117061 NDDDHWW C44H50N12O15 986.3519 NA PeJP NA NA +PJ117062 CCCNNQFR C37H58N14O12S3 986.3521 NA PeJP NA NA +PJ117063 GTEEEEMY C40H58N8O19S 986.3539 NA PeJP NA NA +PJ117064 GSSSSSCCNR C33H58N14O17S2 986.3546 NA PeJP NA NA +PJ117065 GPEEMMMY C41H62N8O14S3 986.3548 NA PeJP NA NA +PJ117066 SSCNNNYW C41H54N12O15S 986.3553 NA PeJP NA NA +PJ117067 SCCCEMRR C34H62N14O12S4 986.3555 NA PeJP NA NA +PJ117068 PPCMMMMF C42H66N8O9S5 986.3557 NA PeJP NA NA +PJ117069 GPCCCRYW C42H58N12O10S3 986.3561 NA PeJP NA NA +PJ117070 GGPPCCMHW C42H58N12O10S3 986.3562 NA PeJP NA NA +PJ117071 GCCFWWW C50H54N10O8S2 986.3568 NA PeJP NA NA +PJ117072 SSSSNNNDY C37H54N12O20 986.3578 NA PeJP NA NA +PJ117073 SVEEMMMM C38H66N8O14S4 986.3582 NA PeJP NA NA +PJ117074 GCNDEMRY C38H58N12O15S2 986.3586 NA PeJP NA NA +PJ117075 GGGCDEMRY C38H58N12O15S2 986.3587 NA PeJP NA NA +PJ117076 PCLMMMMM C39H70N8O9S6 986.359 NA PeJP NA NA +PJ117077 SCNEYWW C46H54N10O13S 986.3593 NA PeJP NA NA +PJ117078 GTCCMMRW C39H62N12O10S4 986.3595 NA PeJP NA NA +PJ117079 GCEMHHHH C39H54N16O11S2 986.36 NA PeJP NA NA +PJ117080 SSSSSSSNNM C34H58N12O20S 986.3611 NA PeJP NA NA +PJ117081 SSSNDEYW C42H54N10O18 986.3618 NA PeJP NA NA +PJ117082 GSSSCEMMR C35H62N12O15S3 986.362 NA PeJP NA NA +PJ117083 CNNNDDHR C35H54N16O16S 986.3625 NA PeJP NA NA +PJ117084 SSSTCMWW C43H58N10O13S2 986.3627 NA PeJP NA NA +PJ117085 GCQMMMMR C36H66N12O10S5 986.3629 NA PeJP NA NA +PJ117086 SCCNMHHR C36H58N16O11S3 986.3634 NA PeJP NA NA +PJ117087 CCKMMWW C44H62N10O8S4 986.3635 NA PeJP NA NA +PJ117088 GCCHHHFF C44H54N14O9S2 986.364 NA PeJP NA NA +PJ117089 SSSSSSEMW C39H58N10O18S 986.3652 NA PeJP NA NA +PJ117090 PDDEYYW C47H54N8O16 986.3658 NA PeJP NA NA +PJ117091 SSSQMMMW C40H62N10O13S3 986.366 NA PeJP NA NA +PJ117092 GGGGAEMMMF C40H62N10O13S3 986.3661 NA PeJP NA NA +PJ117093 GSSSSCHHW C40H54N14O14S 986.3665 NA PeJP NA NA +PJ117094 CNMFFYY C48H58N8O11S2 986.3667 NA PeJP NA NA +PJ117095 ACCCKHHW C41H58N14O9S3 986.3674 NA PeJP NA NA +PJ117096 SSSSSSSTEE C35H58N10O23 986.3676 NA PeJP NA NA +PJ117097 SSSSSSTTDE C35H58N10O23 986.3677 NA PeJP NA NA +PJ117098 SSSSTQEMM C36H62N10O18S2 986.3685 NA PeJP NA NA +PJ117099 SNDDDEHR C36H54N14O19 986.369 NA PeJP NA NA +PJ117100 GGGGGGGGGGGPDE C36H54N14O19 986.3691 NA PeJP NA NA +PJ117101 TEEEMYW C44H58N8O16S 986.3692 NA PeJP NA NA +PJ117102 SNDKMMMM C37H66N10O13S4 986.3694 NA PeJP NA NA +PJ117103 GCCDDRRY C37H58N14O14S2 986.3699 NA PeJP NA NA +PJ117104 PEMMMYW C45H62N8O11S3 986.3701 NA PeJP NA NA +PJ117105 GSPCDHWW C45H54N12O12S 986.3705 NA PeJP NA NA +PJ117106 PCCCCFRR C38H62N14O9S4 986.3708 NA PeJP NA NA +PJ117107 STTEEEEY C40H58N8O21 986.3717 NA PeJP NA NA +PJ117108 GVEEEMMY C41H62N8O16S2 986.3726 NA PeJP NA NA +PJ117109 GSNEEEHW C41H54N12O17 986.373 NA PeJP NA NA +PJ117110 GGGGGGGGGEYY C41H54N12O17 986.3731 NA PeJP NA NA +PJ117111 SSSCCCNKR C34H62N14O14S3 986.3732 NA PeJP NA NA +PJ117112 GGSSSCCCKR C34H62N14O14S3 986.3733 NA PeJP NA NA +PJ117113 SPPMMMMY C42H66N8O11S4 986.3734 NA PeJP NA NA +PJ117114 CNDMRYW C42H58N12O12S2 986.3739 NA PeJP NA NA +PJ117115 GCCMMMRR C35H66N14O9S5 986.3741 NA PeJP NA NA +PJ117116 GSCYWWW C50H54N10O10S 986.3745 NA PeJP NA NA +PJ117117 CMHHHHW C43H54N16O8S2 986.3752 NA PeJP NA NA +PJ117118 SSNDDMRY C38H58N12O17S 986.3764 NA PeJP NA NA +PJ117119 ALEMMMMM C39H70N8O11S5 986.3768 NA PeJP NA NA +PJ117120 GSSSDYWW C46H54N10O15 986.377 NA PeJP NA NA +PJ117121 GPPDDDWW C46H54N10O15 986.3771 NA PeJP NA NA +PJ117122 SSSCMMRW C39H62N12O12S3 986.3773 NA PeJP NA NA +PJ117123 SSDMHHHH C39H54N16O13S 986.3777 NA PeJP NA NA +PJ117124 GGPCNEHHH C39H54N16O13S 986.3778 NA PeJP NA NA +PJ117125 GNMMYWW C47H58N10O10S2 986.3779 NA PeJP NA NA +PJ117126 GSSSSSSSSSQ C34H58N12O22 986.3789 NA PeJP NA NA +PJ117127 SSSSSDMMR C35H62N12O17S2 986.3798 NA PeJP NA NA +PJ117128 SSSNNNNNH C35H54N16O18 986.3802 NA PeJP NA NA +PJ117129 GGGGGGSSSNNH C35H54N16O18 986.3803 NA PeJP NA NA +PJ117130 GSSQEMYW C43H58N10O15S 986.3804 NA PeJP NA NA +PJ117131 SSNMMMMR C36H66N12O12S4 986.3806 NA PeJP NA NA +PJ117132 GGGTCCCKKM C36H66N12O12S4 986.3807 NA PeJP NA NA +PJ117133 GSSTCCHHR C36H58N16O13S2 986.3811 NA PeJP NA NA +PJ117134 GPCCKMYW C44H62N10O10S3 986.3813 NA PeJP NA NA +PJ117135 CNNQHWW C44H54N14O11S 986.3817 NA PeJP NA NA +PJ117136 GGCNQHWW C44H54N14O11S 986.3818 NA PeJP NA NA +PJ117137 GSSSTQEEY C39H58N10O20 986.3829 NA PeJP NA NA +PJ117138 GSSSTTMMW C40H62N10O15S2 986.3838 NA PeJP NA NA +PJ117139 GSDDDHRW C40H54N14O16 986.3843 NA PeJP NA NA +PJ117140 PDEMFYW C48H58N8O13S 986.3844 NA PeJP NA NA +PJ117141 PPCDDFFF C48H58N8O13S 986.3845 NA PeJP NA NA +PJ117142 GTCKMMMW C41H66N10O10S4 986.3847 NA PeJP NA NA +PJ117143 GPCCEHRW C41H58N14O11S2 986.3851 NA PeJP NA NA +PJ117144 GGGGGMMHHF C41H58N14O11S2 986.3852 NA PeJP NA NA +PJ117145 GSSSSTTTEM C36H62N10O20S 986.3863 NA PeJP NA NA +PJ117146 GPTEEEYY C44H58N8O18 986.3869 NA PeJP NA NA +PJ117147 AAEEEEFY C44H58N8O18 986.387 NA PeJP NA NA +PJ117148 ASSTTQMMM C37H66N10O15S3 986.3871 NA PeJP NA NA +PJ117149 GSSSKEMMM C37H66N10O15S3 986.3872 NA PeJP NA NA +PJ117150 GSSSCNNRY C37H58N14O16S 986.3876 NA PeJP NA NA +PJ117151 GGGDEEMHR C37H58N14O16S 986.3877 NA PeJP NA NA +PJ117152 VEEMMYW C45H62N8O13S2 986.3878 NA PeJP NA NA +PJ117153 GQKMMMMM C38H70N10O10S5 986.388 NA PeJP NA NA +PJ117154 SNEEHWW C45H54N12O14 986.3883 NA PeJP NA NA +PJ117155 SPCCCRRY C38H62N14O11S3 986.3885 NA PeJP NA NA +PJ117156 ACCRYWW C46H58N12O9S2 986.3891 NA PeJP NA NA +PJ117157 PCQMHWW C46H58N12O9S2 986.3892 NA PeJP NA NA +PJ117158 SSLEEEMY C41H62N8O18S 986.3903 NA PeJP NA NA +PJ117159 SPVEMMMY C42H66N8O13S3 986.3912 NA PeJP NA NA +PJ117160 GNNNQMFY C42H58N12O14S 986.3916 NA PeJP NA NA +PJ117161 GSSCERYW C42H58N12O14S 986.3917 NA PeJP NA NA +PJ117162 STCCMMRR C35H66N14O11S4 986.3919 NA PeJP NA NA +PJ117163 GNDFYWW C50H54N10O12 986.3923 NA PeJP NA NA +PJ117164 CNMMFRW C43H62N12O9S3 986.3925 NA PeJP NA NA +PJ117165 GPCNHHHW C43H54N16O10S 986.393 NA PeJP NA NA +PJ117166 GSSSSDERY C38H58N12O19 986.3941 NA PeJP NA NA +PJ117167 GSSSTDDRY C38H58N12O19 986.3942 NA PeJP NA NA +PJ117168 TTLEMMMM C39H70N8O13S4 986.3946 NA PeJP NA NA +PJ117169 GSNEMMRY C39H62N12O14S2 986.395 NA PeJP NA NA +PJ117170 GGGGGGPPPTCM C39H62N12O14S2 986.3951 NA PeJP NA NA +PJ117171 NNNNNNHF C39H54N16O15 986.3955 NA PeJP NA NA +PJ117172 SSQMYWW C47H58N10O12S 986.3957 NA PeJP NA NA +PJ117173 PCCCKMFR C40H66N12O9S4 986.3959 NA PeJP NA NA +PJ117174 GCCQHHFR C40H58N16O10S2 986.3964 NA PeJP NA NA +PJ117175 SSSSSSSCQK C35H62N12O19S 986.3975 NA PeJP NA NA +PJ117176 SSSTQEYW C43H58N10O17 986.3982 NA PeJP NA NA +PJ117177 GSSSTMMMR C36H66N12O14S3 986.3984 NA PeJP NA NA +PJ117178 GCDDEHRR C36H58N16O15S 986.3989 NA PeJP NA NA +PJ117179 NDKMMYW C44H62N10O12S2 986.399 NA PeJP NA NA +PJ117180 GGDKMMYW C44H62N10O12S2 986.3991 NA PeJP NA NA +PJ117181 GCKMMMMR C37H70N12O9S5 986.3993 NA PeJP NA NA +PJ117182 GSSNNHWW C44H54N14O13 986.3995 NA PeJP NA NA +PJ117183 CNFFFFY C52H58N8O10S 986.3997 NA PeJP NA NA +PJ117184 PCCHRWW C45H58N14O8S2 986.4004 NA PeJP NA NA +PJ117185 SSSSTTTMW C40H62N10O17S 986.4015 NA PeJP NA NA +PJ117186 GGSSKEEMY C40H62N10O17S 986.4016 NA PeJP NA NA +PJ117187 PTEEYYW C48H58N8O15 986.4022 NA PeJP NA NA +PJ117188 SSSKMMMW C41H66N10O12S3 986.4024 NA PeJP NA NA +PJ117189 NDEMHRW C41H58N14O13S 986.4029 NA PeJP NA NA +PJ117190 PPMMYYW C49H62N8O10S2 986.4031 NA PeJP NA NA +PJ117191 GSEHWWW C49H54N12O11 986.4035 NA PeJP NA NA +PJ117192 SSSSSTTTTE C36H62N10O22 986.404 NA PeJP NA NA +PJ117193 SSSSTKEMM C37H66N10O17S2 986.4049 NA PeJP NA NA +PJ117194 SSNEEEHR C37H58N14O18 986.4054 NA PeJP NA NA +PJ117195 GPVEEMYY C45H62N8O15S 986.4056 NA PeJP NA NA +PJ117196 STQKMMMM C38H70N10O12S4 986.4058 NA PeJP NA NA +PJ117197 SCCNNKRY C38H62N14O13S2 986.4062 NA PeJP NA NA +PJ117198 GSCDMRRY C38H62N14O13S2 986.4063 NA PeJP NA NA +PJ117199 LEMMMFW C46H66N8O10S3 986.4064 NA PeJP NA NA +PJ117200 GNDDHHHR C38H54N18O14 986.4067 NA PeJP NA NA +PJ117201 GGGDDHHHR C38H54N18O14 986.4068 NA PeJP NA NA +PJ117202 SSCRYWW C46H58N12O11S 986.4069 NA PeJP NA NA +PJ117203 ATLEEMMY C42H66N8O15S2 986.4089 NA PeJP NA NA +PJ117204 SSSSDRYW C42H58N12O16 986.4094 NA PeJP NA NA +PJ117205 APLMMMMY C43H70N8O10S4 986.4098 NA PeJP NA NA +PJ117206 SNMMRYW C43H62N12O11S2 986.4103 NA PeJP NA NA +PJ117207 QEHHHHY C43H54N16O12 986.4107 NA PeJP NA NA +PJ117208 NQEHHHW C43H54N16O12 986.4108 NA PeJP NA NA +PJ117209 GNMFFWW C51H58N10O9S 986.4109 NA PeJP NA NA +PJ117210 SSSQEMRY C39H62N12O16S 986.4128 NA PeJP NA NA +PJ117211 SLLMMMMM C40H74N8O10S5 986.4132 NA PeJP NA NA +PJ117212 GSSTTYWW C47H58N10O14 986.4134 NA PeJP NA NA +PJ117213 GGGGSPDFFF C47H58N10O14 986.4135 NA PeJP NA NA +PJ117214 QQMMMRY C40H66N12O11S3 986.4136 NA PeJP NA NA +PJ117215 GAQMMMRY C40H66N12O11S3 986.4137 NA PeJP NA NA +PJ117216 CDDHRRW C40H58N16O12S 986.4141 NA PeJP NA NA +PJ117217 ACKMYWW C48H62N10O9S2 986.4143 NA PeJP NA NA +PJ117218 GSSSSSSSSSK C35H62N12O21 986.4153 NA PeJP NA NA +PJ117219 SSSSTTMMR C36H66N12O16S2 986.4161 NA PeJP NA NA +PJ117220 ASSSSSCCKK C36H66N12O16S2 986.4162 NA PeJP NA NA +PJ117221 SSDDDHRR C36H58N16O17 986.4166 NA PeJP NA NA +PJ117222 GGGGGGGSPNDR C36H58N16O17 986.4167 NA PeJP NA NA +PJ117223 GSSKEMYW C44H62N10O14S 986.4168 NA PeJP NA NA +PJ117224 STCKMMMR C37H70N12O11S4 986.417 NA PeJP NA NA +PJ117225 GQFFYYY C52H58N8O12 986.4174 NA PeJP NA NA +PJ117226 PPDFYYW C52H58N8O12 986.4175 NA PeJP NA NA +PJ117227 NKMMMFW C45H66N10O9S3 986.4177 NA PeJP NA NA +PJ117228 ACEHRWW C45H58N14O10S 986.4181 NA PeJP NA NA +PJ117229 GDMHRWW C45H58N14O10S 986.4182 NA PeJP NA NA +PJ117230 SHWWWW C53H54N12O8 986.4188 NA PeJP NA NA +PJ117231 GSSSTKEEY C40H62N10O19 986.4193 NA PeJP NA NA +PJ117232 GTQKEMMY C41H66N10O14S2 986.4202 NA PeJP NA NA +PJ117233 SSNNDKHW C41H58N14O15 986.4206 NA PeJP NA NA +PJ117234 GSSEEHRW C41H58N14O15 986.4207 NA PeJP NA NA +PJ117235 PVEMYYW C49H62N8O12S 986.4208 NA PeJP NA NA +PJ117236 PCCKKMMF C42H70N10O9S4 986.4211 NA PeJP NA NA +PJ117237 TCCRRYW C42H62N14O10S2 986.4215 NA PeJP NA NA +PJ117238 GPEHHHHH C42H54N18O11 986.422 NA PeJP NA NA +PJ117239 AAMHWWW C50H58N12O8S 986.4222 NA PeJP NA NA +PJ117240 SSSSSSTTLM C37H66N10O19S 986.4227 NA PeJP NA NA +PJ117241 AALEEEYY C45H62N8O17 986.4233 NA PeJP NA NA +PJ117242 GSTTTKMMM C38H70N10O14S3 986.4235 NA PeJP NA NA +PJ117243 SSSCERRY C38H62N14O15S 986.424 NA PeJP NA NA +PJ117244 GGGGGGGGGPVQM C38H62N14O15S 986.4241 NA PeJP NA NA +PJ117245 SPPVMMYY C46H66N8O12S2 986.4242 NA PeJP NA NA +PJ117246 GKKMMMMM C39H74N10O9S5 986.4244 NA PeJP NA NA +PJ117247 SDKEHWW C46H58N12O13 986.4247 NA PeJP NA NA +PJ117248 CQMMRRY C39H66N14O10S3 986.4249 NA PeJP NA NA +PJ117249 SPCNHHHR C39H58N18O11S 986.4254 NA PeJP NA NA +PJ117250 PCKMHWW C47H62N12O8S2 986.4255 NA PeJP NA NA +PJ117251 GQHHHWW C47H54N16O9 986.426 NA PeJP NA NA +PJ117252 TTTLEEMY C42H66N8O17S 986.4267 NA PeJP NA NA +PJ117253 GLLEMMMY C43H70N8O12S3 986.4276 NA PeJP NA NA +PJ117254 NNNNNNQR C35H58N18O16 986.4278 NA PeJP NA NA +PJ117255 GGNNNNNQR C35H58N18O16 986.4279 NA PeJP NA NA +PJ117256 GSSTMRYW C43H62N12O13S 986.428 NA PeJP NA NA +PJ117257 GPPDEMRW C43H62N12O13S 986.4281 NA PeJP NA NA +PJ117258 SPPEWWW C51H58N10O11 986.4287 NA PeJP NA NA +PJ117259 GGGGGCMHRR C36H62N18O11S2 986.4288 NA PeJP NA NA +PJ117260 AAMHHHHF C44H58N16O9S 986.4294 NA PeJP NA NA +PJ117261 GSSSTTERY C39H62N12O18 986.4305 NA PeJP NA NA +PJ117262 APQEEEER C39H62N12O18 986.4306 NA PeJP NA NA +PJ117263 GSDKMMRY C40H66N12O13S2 986.4314 NA PeJP NA NA +PJ117264 SSSNNHRW C40H58N16O14 986.4319 NA PeJP NA NA +PJ117265 SSKMYWW C48H62N10O11S 986.432 NA PeJP NA NA +PJ117266 AAPPEMWW C48H62N10O11S 986.4321 NA PeJP NA NA +PJ117267 GCCKHHFR C41H62N16O9S2 986.4328 NA PeJP NA NA +PJ117268 SSSSSSSCKK C36H66N12O18S 986.4339 NA PeJP NA NA +PJ117269 STTTTQYW C44H62N10O16 986.4345 NA PeJP NA NA +PJ117270 SSSTKEYW C44H62N10O16 986.4346 NA PeJP NA NA +PJ117271 SSTCCCKKK C37H70N12O13S3 986.4348 NA PeJP NA NA +PJ117272 SSNQQMHR C37H62N16O14S 986.4352 NA PeJP NA NA +PJ117273 GSDEMHRR C37H62N16O14S 986.4353 NA PeJP NA NA +PJ117274 TQKMMYW C45H66N10O11S2 986.4354 NA PeJP NA NA +PJ117275 GGGGALMMFF C45H66N10O11S2 986.4355 NA PeJP NA NA +PJ117276 SSEHRWW C45H58N14O12 986.4359 NA PeJP NA NA +PJ117277 PPMFFYW C53H62N8O9S 986.4361 NA PeJP NA NA +PJ117278 PHHHHHW C46H54N18O8 986.4373 NA PeJP NA NA +PJ117279 SSDKKEMY C41H66N10O16S 986.4379 NA PeJP NA NA +PJ117280 GGAPPTLDEM C41H66N10O16S 986.438 NA PeJP NA NA +PJ117281 VVEEYYW C49H62N8O14 986.4386 NA PeJP NA NA +PJ117282 GVQKMMMY C42H70N10O11S3 986.4388 NA PeJP NA NA +PJ117283 TQEMHRW C42H62N14O12S 986.4393 NA PeJP NA NA +PJ117284 PLMMFYW C50H66N8O9S2 986.4395 NA PeJP NA NA +PJ117285 ATTHWWW C50H58N12O10 986.4399 NA PeJP NA NA +PJ117286 SSSTTTTTTT C37H66N10O21 986.4404 NA PeJP NA NA +PJ117287 SSTTTTKMM C38H70N10O16S2 986.4413 NA PeJP NA NA +PJ117288 GPDEEERR C38H62N14O17 986.4418 NA PeJP NA NA +PJ117289 SPCLLEYY C46H66N8O14S 986.4419 NA PeJP NA NA +PJ117290 APTLEMYY C46H66N8O14S 986.442 NA PeJP NA NA +PJ117291 STKKMMMM C39H74N10O11S4 986.4422 NA PeJP NA NA +PJ117292 GSSMMRRY C39H66N14O12S2 986.4426 NA PeJP NA NA +PJ117293 GVQEMMHR C39H66N14O12S2 986.4427 NA PeJP NA NA +PJ117294 LLMMMYW C47H70N8O9S3 986.4428 NA PeJP NA NA +PJ117295 GSQEHHHR C39H58N18O13 986.4431 NA PeJP NA NA +PJ117296 PPDMRWW C47H62N12O10S 986.4433 NA PeJP NA NA +PJ117297 GHFFFFW C55H58N10O8 986.444 NA PeJP NA NA +PJ117298 PLLEEEEE C42H66N8O19 986.4445 NA PeJP NA NA +PJ117299 STLLEMMY C43H70N8O14S2 986.4453 NA PeJP NA NA +PJ117300 SSSTTRYW C43H62N12O15 986.4458 NA PeJP NA NA +PJ117301 ALLMMMMF C44H74N8O9S4 986.4462 NA PeJP NA NA +PJ117302 SSCNQHRR C36H62N18O13S 986.4465 NA PeJP NA NA +PJ117303 TCKMRYW C44H66N12O10S2 986.4467 NA PeJP NA NA +PJ117304 NNNHFRW C44H58N16O11 986.4471 NA PeJP NA NA +PJ117305 GGGGNHFRW C44H58N16O11 986.4472 NA PeJP NA NA +PJ117306 PPCLWWW C52H62N10O8S 986.4473 NA PeJP NA NA +PJ117307 SSSKEMRY C40H66N12O15S 986.4492 NA PeJP NA NA +PJ117308 PLQEEWW C48H62N10O13 986.4498 NA PeJP NA NA +PJ117309 QKMMMRY C41H70N12O10S3 986.45 NA PeJP NA NA +PJ117310 GAPPPMMMR C41H70N12O10S3 986.4501 NA PeJP NA NA +PJ117311 SDMHRRW C41H62N16O11S 986.4505 NA PeJP NA NA +PJ117312 KMMHFFF C49H66N10O8S2 986.4507 NA PeJP NA NA +PJ117313 PPQHHWW C49H58N14O9 986.4512 NA PeJP NA NA +PJ117314 SSSEEHRR C37H62N16O16 986.453 NA PeJP NA NA +PJ117315 GGGGGGGGGGLER C37H62N16O16 986.4531 NA PeJP NA NA +PJ117316 GTTTKMYW C45H66N10O13S 986.4532 NA PeJP NA NA +PJ117317 PPVYYYW C53H62N8O11 986.4538 NA PeJP NA NA +PJ117318 QEMMHRR C38H66N16O11S2 986.4539 NA PeJP NA NA +PJ117319 ATMHRWW C46H62N14O9S 986.4545 NA PeJP NA NA +PJ117320 SSSSSLKEY C41H66N10O18 986.4557 NA PeJP NA NA +PJ117321 GTKKEMMY C42H70N10O13S2 986.4566 NA PeJP NA NA +PJ117322 PDEERRW C42H62N14O14 986.457 NA PeJP NA NA +PJ117323 GGGGAPTERW C42H62N14O14 986.4571 NA PeJP NA NA +PJ117324 VLEMFYW C50H66N8O11S 986.4572 NA PeJP NA NA +PJ117325 VQMMHRW C43H66N14O9S2 986.4579 NA PeJP NA NA +PJ117326 SQHHHRW C43H58N18O10 986.4584 NA PeJP NA NA +PJ117327 GTLLEEYY C46H66N8O16 986.4597 NA PeJP NA NA +PJ117328 SSSTMRRY C39H66N14O14S 986.4604 NA PeJP NA NA +PJ117329 GPLLMMYY C47H70N8O11S2 986.4606 NA PeJP NA NA +PJ117330 TTKEHWW C47H62N12O12 986.461 NA PeJP NA NA +PJ117331 PVDERWW C47H62N12O12 986.4611 NA PeJP NA NA +PJ117332 CKMMRRY C40H70N14O9S3 986.4613 NA PeJP NA NA +PJ117333 AAQMHHHR C40H62N18O10S 986.4618 NA PeJP NA NA +PJ117334 GKHHHWW C48H58N16O8 986.4624 NA PeJP NA NA +PJ117335 SVLLMMMY C44H74N8O11S3 986.464 NA PeJP NA NA +PJ117336 GSSSSNHRR C36H62N18O15 986.4642 NA PeJP NA NA +PJ117337 GGGSSSSHRR C36H62N18O15 986.4643 NA PeJP NA NA +PJ117338 APPTEMRW C44H66N12O12S 986.4644 NA PeJP NA NA +PJ117339 GGGGGGPVLMW C44H66N12O12S 986.4645 NA PeJP NA NA +PJ117340 APLEWWW C52H62N10O10 986.4651 NA PeJP NA NA +PJ117341 SSSSSTLRY C40H66N12O17 986.4669 NA PeJP NA NA +PJ117342 GGGGPKKEEE C40H66N12O17 986.467 NA PeJP NA NA +PJ117343 GTTKMMRY C41H70N12O12S2 986.4678 NA PeJP NA NA +PJ117344 NQQQQRW C41H62N16O13 986.4682 NA PeJP NA NA +PJ117345 GSPNDRRW C41H62N16O13 986.4683 NA PeJP NA NA +PJ117346 GPPTLMWW C49H66N10O10S 986.4684 NA PeJP NA NA +PJ117347 ASPPLMWW C49H66N10O10S 986.4685 NA PeJP NA NA +PJ117348 AMMHRRW C42H66N16O8S2 986.4691 NA PeJP NA NA +PJ117349 STTTTKYW C45H66N10O15 986.4709 NA PeJP NA NA +PJ117350 GPLKEEEW C45H66N10O15 986.471 NA PeJP NA NA +PJ117351 GTTEMHRR C38H66N16O13S 986.4716 NA PeJP NA NA +PJ117352 GGGPQEMRR C38H66N16O13S 986.4717 NA PeJP NA NA +PJ117353 TKKMMYW C46H70N10O10S2 986.4718 NA PeJP NA NA +MJ099140 1,3,20-Trihydroxywitha-5,24-dienolide, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside], 1-Ac C48H74O21 986.472259 NA MeJP NA NA +MJ099141 1,3,20-Trihydroxywitha-5,24-dienolide, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside], 1-Ac C48H74O21 986.472259 NA MeJP NA NA +MJ099142 2,3,16-Trihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucuronopyranoside, 28-O-[?-L-rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl] ester C48H74O21 986.472259 NA MeJP NA NA +MJ099143 2,3-Dihydroxy-12-oleanene-23,28-dioic acid, Glycoside C48H74O21 986.472259 NA MeJP NA NA +MJ099144 3,21,24-Trihydroxy-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H74O21 986.472259 NA MeJP NA NA +MJ099145 3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester, 30-Me ester C48H74O21 986.472259 NA MeJP NA NA +MJ099146 Glaucogenin C; 7-Hydroxy, 3-O-[?-D-glucopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-thevetopyranoside] C48H74O21 986.472259 NA MeJP NA NA +MJ099147 Oleanolic acid bisdesmosides; Triglycosides, 3-O-[[2-Carboxy-1-(carboxymethoxy)-2,3-dihydroxypropyl]-(?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H74O21 986.472259 NA MeJP NA NA +MJ099148 Tubocapsigenin A; 1-Ac, 3-O-[[?-D-glucopyranosyl(1?6)-?-D-glucopyranosyl(1?2)]-?-D-glucopyranoside] C48H74O21 986.472259 NA MeJP NA NA +PJ117354 TTTHRWW C46H62N14O11 986.4723 NA PeJP NA NA +PJ117355 PLMFFFW C54H66N8O8S 986.4725 NA PeJP NA NA +PJ117356 NMHHHRR C39H62N20O9S 986.473 NA PeJP NA NA +PJ117357 STTKKEMY C42H70N10O15S 986.4743 NA PeJP NA NA +PJ117358 TLLEYYW C50H66N8O13 986.475 NA PeJP NA NA +PJ117359 GVKKMMMY C43H74N10O10S3 986.4752 NA PeJP NA NA +PJ117360 VCQRRYY C43H66N14O11S 986.4756 NA PeJP NA NA +PJ117361 TKEMHRW C43H66N14O11S 986.4757 NA PeJP NA NA +PJ117362 LLMMFFW C51H70N8O8S2 986.4758 NA PeJP NA NA +PJ117363 GPQKWWW C51H62N12O9 986.4763 NA PeJP NA NA +PJ117364 SSPPTTNQR C39H66N14O16 986.4781 NA PeJP NA NA +PJ117365 APTEEERR C39H66N14O16 986.4782 NA PeJP NA NA +PJ117366 GVLLEMYY C47H70N8O13S 986.4783 NA PeJP NA NA +PJ117367 APPEMMRR C40H70N14O11S2 986.479 NA PeJP NA NA +PJ117368 GGGGPPKMMR C40H70N14O11S2 986.4791 NA PeJP NA NA +PJ117369 NNNQRRW C40H62N18O12 986.4795 NA PeJP NA NA +PJ117370 SLKMHWW C48H66N12O9S 986.4797 NA PeJP NA NA +PJ117371 GPTLEERW C44H66N12O14 986.4822 NA PeJP NA NA +PJ117372 GPCNERRR C37H66N18O12S 986.4829 NA PeJP NA NA +PJ117373 GPPLMMRW C45H70N12O9S2 986.4831 NA PeJP NA NA +PJ117374 GEHFRRW C45H62N16O10 986.4835 NA PeJP NA NA +PJ117375 STTTKMRY C41H70N12O14S 986.4855 NA PeJP NA NA +PJ117376 GSSSCKKKY C41H70N12O14S 986.4856 NA PeJP NA NA +PJ117377 PLKEEWW C49H66N10O12 986.4862 NA PeJP NA NA +PJ117378 KKMMMRY C42H74N12O9S3 986.4864 NA PeJP NA NA +PJ117379 TTMHRRW C42H66N16O10S 986.4869 NA PeJP NA NA +PJ117380 GVHFRWW C50H62N14O8 986.4876 NA PeJP NA NA +PJ117381 STTTEHRR C38H66N16O15 986.4894 NA PeJP NA NA +PJ117382 SPPLKEMW C46H70N10O12S 986.4896 NA PeJP NA NA +PJ117383 PVLFYYW C54H66N8O10 986.4902 NA PeJP NA NA +PJ117384 KEMMHRR C39H70N16O10S2 986.4903 NA PeJP NA NA +PJ117385 GSTHHHRR C39H62N20O11 986.4907 NA PeJP NA NA +PJ117386 GGGPNHHRR C39H62N20O11 986.4908 NA PeJP NA NA +PJ117387 LMHHFFR C47H66N14O8S 986.4909 NA PeJP NA NA +PJ117388 SSSTTTLKY C42H70N10O17 986.4921 NA PeJP NA NA +PJ117389 SSLKKMMY C43H74N10O12S2 986.4929 NA PeJP NA NA +PJ117390 TLLLEMMH C43H74N10O12S2 986.493 NA PeJP NA NA +PJ117391 SSTTLHRW C43H66N14O13 986.4934 NA PeJP NA NA +PJ117392 GGGGGGGAALKW C43H66N14O13 986.4935 NA PeJP NA NA +PJ117393 VLLMYYW C51H70N8O10S 986.4936 NA PeJP NA NA +PJ117394 VKMMHRW C44H70N14O8S2 986.4943 NA PeJP NA NA +PJ117395 SKHHHRW C44H62N18O9 986.4948 NA PeJP NA NA +PJ117396 SSLLLEYY C47H70N8O15 986.4961 NA PeJP NA NA +PJ117397 GPLEEMRR C40H70N14O13S 986.4968 NA PeJP NA NA +PJ117398 GLLLMMFY C48H74N8O10S2 986.497 NA PeJP NA NA +PJ117399 PTLERWW C48H66N12O11 986.4974 NA PeJP NA NA +PJ117400 GGPKKEWW C48H66N12O11 986.4975 NA PeJP NA NA +PJ117401 PCNRRRW C41H66N18O9S 986.4981 NA PeJP NA NA +PJ117402 HFRRWW C49H62N16O7 986.4988 NA PeJP NA NA +PJ117403 NQEERRR C37H66N18O14 986.5006 NA PeJP NA NA +PJ117404 GGGAEERRR C37H66N18O14 986.5007 NA PeJP NA NA +PJ117405 GPVLEMRW C45H70N12O11S 986.5008 NA PeJP NA NA +PJ117406 SPLLWWW C53H66N10O9 986.5015 NA PeJP NA NA +PJ117407 SPLKEEER C41H70N12O16 986.5033 NA PeJP NA NA +PJ117408 SCCKKKKY C42H74N12O11S2 986.5042 NA PeJP NA NA +PJ117409 VNQERRW C42H66N16O12 986.5046 NA PeJP NA NA +PJ117410 GGVQERRW C42H66N16O12 986.5047 NA PeJP NA NA +PJ117411 AAPLLMWW C50H70N10O9S 986.5048 NA PeJP NA NA +PJ117412 SPVLKEEW C46H70N10O14 986.5073 NA PeJP NA NA +PJ117413 GGALLLEEW C46H70N10O14 986.5074 NA PeJP NA NA +PJ117414 SSTLMHRR C39H70N16O12S 986.508 NA PeJP NA NA +PJ117415 GGGGGAPCKKR C39H70N16O12S 986.5081 NA PeJP NA NA +PJ117416 PPVVKMMW C47H74N10O9S2 986.5082 NA PeJP NA NA +MJ099149 Moroidin C47H66N14O10 986.508634 NA MeJP NA NA +MJ099150 1,4-Epoxy-11-hydroxy-3,4-seco-20(29)-lupene-3,28-dioic acid, 28-[?-L-Rhamnopyranosyl(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester, 3-Me ester C49H78O20 986.508644 NA MeJP NA NA +MJ099151 3,19,21-Trihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-2-O-acetyl-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester C49H78O20 986.508644 NA MeJP NA NA +MJ099152 3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester, 30-Me ester C49H78O20 986.508644 NA MeJP NA NA +MJ099153 3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester, 30-Me ester C49H78O20 986.508644 NA MeJP NA NA +MJ099154 3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Galactopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside], 30-Me ester C49H78O20 986.508644 NA MeJP NA NA +MJ099155 3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside], 30-Me ester C49H78O20 986.508644 NA MeJP NA NA +MJ099156 Hederagenin bisdesmosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?4)-6-O-methyl-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C49H78O20 986.508644 NA MeJP NA NA +MJ099157 Peruvianoside A C49H78O20 986.508644 NA MeJP NA NA +PJ117417 SPQKRWW C47H66N14O10 986.5087 NA PeJP NA NA +PJ117418 PLLQKEEM C43H74N10O14S 986.5107 NA PeJP NA NA +PJ117419 APTILFYY C51H70N8O12 986.5113 NA PeJP NA NA +PJ117420 GPVLLYYY C51H70N8O12 986.5114 NA PeJP NA NA +PJ117421 VLLLMMMH C44H78N10O9S3 986.5116 NA PeJP NA NA +PJ117422 NDDRRRR C36H66N20O13 986.5119 NA PeJP NA NA +PJ117423 GTCKKKHW C44H70N14O10S 986.512 NA PeJP NA NA +PJ117424 PLEMRRW C44H70N14O10S 986.5121 NA PeJP NA NA +PJ117425 GPKKWWW C52H66N12O8 986.5127 NA PeJP NA NA +PJ117426 SPTLEERR C40H70N14O15 986.5145 NA PeJP NA NA +PJ117427 GVLEEERR C40H70N14O15 986.5146 NA PeJP NA NA +PJ117428 ATLLLMYY C48H74N8O12S 986.5147 NA PeJP NA NA +PJ117429 SPPLMMRR C41H74N14O10S2 986.5154 NA PeJP NA NA +PJ117430 GQERRRW C41H66N18O11 986.5159 NA PeJP NA NA +PJ117431 PVLMRWW C49H70N12O8S 986.5161 NA PeJP NA NA +PJ117432 LLLLEEEE C44H74N8O17 986.5172 NA PeJP NA NA +PJ117433 AALLEERW C45H70N12O13 986.5186 NA PeJP NA NA +7052 bovine hexapeptide derived from lactoferricin B (B RRWQWR 986.519 antioxidative Inhouse_peptide NA peptide +PJ117434 GSPQMRRR C38H70N18O11S 986.5193 NA PeJP NA NA +PJ117435 KKMMFFR C46H74N12O8S2 986.5194 NA PeJP NA NA +PJ117436 GVQRRWW C46H66N16O9 986.5199 NA PeJP NA NA +PJ117437 PTLLQEMR C42H74N12O13S 986.5219 NA PeJP NA NA +PJ117438 PVVKEEMR C42H74N12O13S 986.522 NA PeJP NA NA +PJ117439 LLLQEWW C50H70N10O11 986.5226 NA PeJP NA NA +PJ117440 PNKMRRW C43H70N16O9S 986.5233 NA PeJP NA NA +C17553 Condurango glycoside A C53H78O17 986.5239 NA KEGG NA NA +C17554 3-Polyprenyl-4,5-dihydroxybenzoate C12H14O4 986.5239 NA KEGG NA NA +PJ117441 LEEERRR C39H70N16O14 986.5258 NA PeJP NA NA +PJ117442 APLLKEMW C47H74N10O11S 986.526 NA PeJP NA NA +PJ117443 VLLFFYW C55H70N8O9 986.5266 NA PeJP NA NA +PJ117444 PPCCKKRR C40H74N16O9S2 986.5267 NA PeJP NA NA +PJ117445 PEHHRRR C40H66N20O10 986.5271 NA PeJP NA NA +PJ117446 VLLQKEEE C43H74N10O16 986.5285 NA PeJP NA NA +PJ117447 GPPTLLKMM C44H78N10O11S2 986.5293 NA PeJP NA NA +PJ117448 GGGPVLLLMM C44H78N10O11S2 986.5294 NA PeJP NA NA +PJ117449 VLEERRW C44H70N14O12 986.5298 NA PeJP NA NA +PJ117450 GLLLMFFF C52H74N8O9S 986.53 NA PeJP NA NA +PJ117451 GSPCRRRR C37H70N20O10S 986.5305 NA PeJP NA NA +PJ117452 QRRRWW C45H66N18O8 986.5311 NA PeJP NA NA +PJ117453 GARRRWW C45H66N18O8 986.5312 NA PeJP NA NA +PJ117454 TTTLLLYY C48H74N8O14 986.5325 NA PeJP NA NA +PJ117455 SPVLEMRR C41H74N14O12S 986.5332 NA PeJP NA NA +PJ117456 VVLERWW C49H70N12O10 986.5338 NA PeJP NA NA +PJ117457 CLHFRRR C42H70N18O8S 986.5345 NA PeJP NA NA +PJ117458 NKEERRR C38H70N18O13 986.537 NA PeJP NA NA +PJ117459 APTLLMRW C46H74N12O10S 986.5372 NA PeJP NA NA +PJ117460 ALLLWWW C54H70N10O8 986.5378 NA PeJP NA NA +PJ117461 VVVLWWW C54H70N10O8 986.5379 NA PeJP NA NA +PJ117462 ALLKEEER C42H74N12O15 986.5397 NA PeJP NA NA +PJ117463 PVLLQMMR C43H78N12O10S2 986.5406 NA PeJP NA NA +PJ117464 VNKERRW C43H70N16O11 986.541 NA PeJP NA NA +PJ117465 GGVKERRW C43H70N16O11 986.5411 NA PeJP NA NA +PJ117466 GLLLKEEW C47H74N10O13 986.5437 NA PeJP NA NA +PJ117467 GPDKKMRR C40H74N16O11S 986.5444 NA PeJP NA NA +PJ117468 SPKKRWW C48H70N14O9 986.5451 NA PeJP NA NA +PJ117469 PLLKKEEM C44H78N10O13S 986.5471 NA PeJP NA NA +PJ117470 GVLLLFYY C52H74N8O11 986.5477 NA PeJP NA NA +PJ117471 SQERRRR C37H70N20O12 986.5483 NA PeJP NA NA +PJ117472 AAPKKMRW C45H74N14O9S 986.5484 NA PeJP NA NA +PJ117473 ATLLEERR C41H74N14O14 986.5509 NA PeJP NA NA +PJ117474 GGALKKEER C41H74N14O14 986.551 NA PeJP NA NA +PJ117475 APLLMMRR C42H78N14O9S2 986.5518 NA PeJP NA NA +PJ117476 GKERRRW C42H70N18O10 986.5523 NA PeJP NA NA +PJ117477 GTLLLERW C46H74N12O12 986.555 NA PeJP NA NA +PJ117478 LQQMRRR C39H74N18O10S 986.5556 NA PeJP NA NA +PJ117479 GSPKMRRR C39H74N18O10S 986.5557 NA PeJP NA NA +PJ117480 GVKRRWW C47H70N16O8 986.5563 NA PeJP NA NA +PJ117481 PTLLKEMR C43H78N12O12S 986.5583 NA PeJP NA NA +PJ117482 GGGGAALLLKM C43H78N12O12S 986.5584 NA PeJP NA NA +PJ117483 LLLKEWW C51H74N10O10 986.559 NA PeJP NA NA +PJ117484 LKMHFRR C44H74N16O8S 986.5597 NA PeJP NA NA +PJ117485 AAKKEERR C40H74N16O13 986.5622 NA PeJP NA NA +PJ117486 SPLLLKMW C48H78N10O10S 986.5624 NA PeJP NA NA +PJ117487 GTRRRRW C41H70N20O9 986.5635 NA PeJP NA NA +PJ117488 SSPTLLLKE C44H78N10O15 986.5648 NA PeJP NA NA +PJ117489 VLLKKEEE C44H78N10O15 986.5649 NA PeJP NA NA +PJ117490 AAPLLLKMM C45H82N10O10S2 986.5657 NA PeJP NA NA +PJ117491 LQKKERW C45H74N14O11 986.5662 NA PeJP NA NA +PJ117492 VNMRRRR C38H74N20O9S 986.5669 NA PeJP NA NA +PJ117493 KRRRWW C46H70N18O7 986.5675 NA PeJP NA NA +MJ099158 Micropeptin A C49H78N8O13 986.568834 NA MeJP NA NA +PJ117494 GLLLEMRR C42H78N14O11S 986.5696 NA PeJP NA NA +PJ117495 TLLLRWW C50H74N12O9 986.5702 NA PeJP NA NA +PJ117496 DKKERRR C39H74N18O12 986.5734 NA PeJP NA NA +PJ117497 GVLLLMRW C47H78N12O9S 986.5736 NA PeJP NA NA +PJ117498 SLLLKEER C43H78N12O14 986.5761 NA PeJP NA NA +PJ117499 PVLLKMMR C44H82N12O9S2 986.577 NA PeJP NA NA +PJ117500 VDKKRRW C44H74N16O10 986.5774 NA PeJP NA NA +PJ117501 GMRRRRR C37H74N22O8S 986.5781 NA PeJP NA NA +PJ117502 SVLLLKEW C48H78N10O12 986.5801 NA PeJP NA NA +PJ117503 APTKKMRR C41H78N16O10S 986.5808 NA PeJP NA NA +PJ117504 ALKKRWW C49H74N14O8 986.5814 NA PeJP NA NA +MJ099159 Antibiotic CP 91243; 4B-Methyl ether C51H86O18 986.581415 NA MeJP NA NA +PJ117505 PLLFRRW C49H74N14O8 986.5815 NA PeJP NA NA +PJ117506 LLLLQKEM C45H82N10O12S 986.5835 NA PeJP NA NA +PJ117507 SKERRRR C38H74N20O11 986.5846 NA PeJP NA NA +PJ117508 LLLMRRW C46H78N14O8S 986.5848 NA PeJP NA NA +PJ117509 STLLLERR C42H78N14O13 986.5873 NA PeJP NA NA +PJ117510 SVKRRRW C43H74N18O9 986.5887 NA PeJP NA NA +PJ117511 SSLLLLRW C47H78N12O11 986.5913 NA PeJP NA NA +PJ117512 GVLKKKEW C47H78N12O11 986.5914 NA PeJP NA NA +PJ117513 LQKMRRR C40H78N18O9S 986.592 NA PeJP NA NA +PJ117514 VVLLKEMR C44H82N12O11S 986.5947 NA PeJP NA NA +PJ117515 APLLLKFW C52H78N10O9 986.5954 NA PeJP NA NA +PJ117516 STRRRRR C37H74N22O10 986.5959 NA PeJP NA NA +PJ117517 GTLKKERR C41H78N16O12 986.5986 NA PeJP NA NA +PJ117518 ALLLLKMW C49H82N10O9S 986.5987 NA PeJP NA NA +PJ117519 LLHHRRR C42H74N20O8 986.5999 NA PeJP NA NA +PJ117520 GTTLLLLKE C45H82N10O14 986.6012 NA PeJP NA NA +PJ117521 LKKKERW C46H78N14O10 986.6026 NA PeJP NA NA +PJ117522 CLKRRRR C39H78N20O8S 986.6033 NA PeJP NA NA +PJ117523 SVLLLMRR C43H82N14O10S 986.6059 NA PeJP NA NA +PJ117524 TCLLLLRR C43H82N14O10S 986.606 NA PeJP NA NA +PJ117525 VLKKKWW C51H78N12O8 986.6066 NA PeJP NA NA +PJ117526 GTTLKRRR C40H78N18O11 986.6098 NA PeJP NA NA +PJ117527 GTTTLLLLR C44H82N12O13 986.6125 NA PeJP NA NA +PJ117528 TLKKRRW C45H78N16O9 986.6138 NA PeJP NA NA +PJ117529 TTLLLLKW C49H82N10O11 986.6165 NA PeJP NA NA +PJ117530 GVLKKMRR C42H82N16O9S 986.6172 NA PeJP NA NA +PJ117531 LLLLKKEM C46H86N10O11S 986.6199 NA PeJP NA NA +PJ117532 SVLKKKER C43H82N14O12 986.6237 NA PeJP NA NA +PJ117533 PKKFRRR C44H78N18O8 986.6251 NA PeJP NA NA +PJ117534 ATLLKKKW C48H82N12O10 986.6277 NA PeJP NA NA +PJ117535 LKKMRRR C41H82N18O8S 986.6284 NA PeJP NA NA +PJ117536 TLLLLKMR C45H86N12O10S 986.6311 NA PeJP NA NA +PJ117537 SSLLKKRR C42H82N16O11 986.6349 NA PeJP NA NA +PJ117538 GDKKKKKR C42H82N16O11 986.635 NA PeJP NA NA +PJ117539 SSTLLLLLK C46H86N10O13 986.6376 NA PeJP NA NA +PJ117540 AAKKKKKW C47H82N14O9 986.639 NA PeJP NA NA +PJ117541 ALLKKKMR C44H86N14O9S 986.6423 NA PeJP NA NA +PJ117542 GSKKKKRR C41H82N18O10 986.6462 NA PeJP NA NA +PJ117543 TLLKKKKE C45H86N12O12 986.6489 NA PeJP NA NA +PJ117544 PLLLLKKY C50H86N10O10 986.6529 NA PeJP NA NA +PJ117545 TTLLKKKR C44H86N14O11 986.6601 NA PeJP NA NA +PJ117546 VVLLLKFR C49H86N12O9 986.6641 NA PeJP NA NA +PJ117547 VLLKKKKM C46H90N12O9S 986.6675 NA PeJP NA NA +PJ117548 ATKKKKKR C43H86N16O10 986.6713 NA PeJP NA NA +PJ117549 LLLLLKKF C51H90N10O9 986.6893 NA PeJP NA NA +PJ117550 SLKKKKKK C45H90N14O10 986.6965 NA PeJP NA NA +2970 maculatin 1,1,1 from Litoria genimaculata FVGLAKVAAHVVPAIAEHF~ 987.05105 MH2+ Inhouse_peptide NA peptide +PJ117551 GCCCCCCMY C34H53N9O11S7 987.191 NA PeJP NA NA +PJ117552 SCCCCCDDH C32H49N11O15S5 987.2014 NA PeJP NA NA +PJ117553 PCCCCDDDD C33H49N9O18S4 987.2079 NA PeJP NA NA +PJ117554 STCCCCCCY C34H53N9O13S6 987.2087 NA PeJP NA NA +PJ117555 GCCCCCEMH C33H53N11O12S6 987.22 NA PeJP NA NA +PJ117556 GCCCCCCFF C38H53N9O10S6 987.224 NA PeJP NA NA +PJ117557 ACCCDDDDE C33H49N9O20S3 987.2256 NA PeJP NA NA +PJ117558 GCCDDDDDM C33H49N9O20S3 987.2257 NA PeJP NA NA +PJ117559 CCCCCMHW C37H53N11O9S6 987.2352 NA PeJP NA NA +PJ117560 SCCCNNDDD C32H49N11O19S3 987.2369 NA PeJP NA NA +PJ117561 SSCCCCDMH C33H53N11O14S5 987.2377 NA PeJP NA NA +PJ117562 GGPCCCCCNE C33H53N11O14S5 987.2378 NA PeJP NA NA +PJ117563 CCCDDDEW C37H49N9O17S3 987.2409 NA PeJP NA NA +PJ117564 CCCCCQYY C38H53N9O12S5 987.2418 NA PeJP NA NA +PJ117565 SSCCDDDDE C33H49N9O22S2 987.2434 NA PeJP NA NA +PJ117566 SPCCCDDDM C34H53N9O17S4 987.2443 NA PeJP NA NA +PJ117567 PPCCCCCEM C35H57N9O12S6 987.2451 NA PeJP NA NA +PJ117568 GPCCCCCNW C37H53N11O11S5 987.253 NA PeJP NA NA +PJ117569 GCCCNNDEM C33H53N11O16S4 987.2555 NA PeJP NA NA +PJ117570 GTCCCCMMH C34H57N11O11S6 987.2564 NA PeJP NA NA +PJ117571 GSSCCCCYY C38H53N9O14S4 987.2595 NA PeJP NA NA +C16335 OPC4-CoA C35H56N7O18P3S 987.2615 NA KEGG NA NA +HMDB11113 OPC4-CoA C35H56N7O18P3S 987.261536 NA HMDB2010 NA NA +PJ117572 GSCDDDDMM C34H53N9O19S3 987.262 NA PeJP NA NA +PJ117573 GPCCCDEMM C35H57N9O14S5 987.2629 NA PeJP NA NA +PJ117574 GCCCCNDDR C32H53N13O15S4 987.2667 NA PeJP NA NA +PJ117575 GGGCCCCDDR C32H53N13O15S4 987.2668 NA PeJP NA NA +PJ117576 CCCNNDMW C37H53N11O13S4 987.2708 NA PeJP NA NA +PJ117577 SSCCNNDDM C33H53N11O18S3 987.2732 NA PeJP NA NA +PJ117578 GGSSCCNDDM C33H53N11O18S3 987.2733 NA PeJP NA NA +PJ117579 SSSCCCMMH C34H57N11O13S5 987.2741 NA PeJP NA NA +PJ117580 CNDDDDEY C37H49N9O21S 987.2764 NA PeJP NA NA +PJ117581 SCCDDEMW C38H53N9O16S3 987.2773 NA PeJP NA NA +PJ117582 CCCCCKYY C39H57N9O11S5 987.2781 NA PeJP NA NA +PJ117583 PCCCDMMW C39H57N9O11S5 987.2782 NA PeJP NA NA +PJ117584 SSSCDDDEM C34H53N9O21S2 987.2798 NA PeJP NA NA +PJ117585 SSPCCCEEM C35H57N9O16S4 987.2806 NA PeJP NA NA +PJ117586 CNDDEMMM C35H57N9O16S4 987.2807 NA PeJP NA NA +PJ117587 GSCCDDDHH C35H49N13O17S2 987.2811 NA PeJP NA NA +PJ117588 PPTCCCCMM C36H61N9O11S6 987.2815 NA PeJP NA NA +PJ117589 GPCCCCEHH C36H53N13O12S4 987.282 NA PeJP NA NA +PJ117590 GSSSCCCNNN C32H53N13O17S3 987.2845 NA PeJP NA NA +PJ117591 SPCCCCCNR C33H57N13O12S5 987.2854 NA PeJP NA NA +PJ117592 GCCCCQWW C41H53N11O10S4 987.286 NA PeJP NA NA +PJ117593 GPCDDDDDH C36H49N11O20S 987.2877 NA PeJP NA NA +PJ117594 GSSCCCNEW C37H53N11O15S3 987.2885 NA PeJP NA NA +PJ117595 CCCNMMHF C38H57N11O10S5 987.2894 NA PeJP NA NA +PJ117596 GSSSSCCNDE C33H53N11O20S2 987.291 NA PeJP NA NA +PJ117597 GCDDDDYW C41H49N9O18S 987.2917 NA PeJP NA NA +PJ117598 CCDDDMMR C34H57N11O15S4 987.2919 NA PeJP NA NA +PJ117599 PCCCDDFW C42H53N9O13S3 987.2925 NA PeJP NA NA +PJ117600 GSSDDDDDY C37H49N9O23 987.2942 NA PeJP NA NA +PJ117601 GSPCCDDEY C38H53N9O18S2 987.295 NA PeJP NA NA +PJ117602 GGCDDDEMF C38H53N9O18S2 987.2951 NA PeJP NA NA +PJ117603 GCDDMMMW C39H57N9O13S4 987.2959 NA PeJP NA NA +PJ117604 PCCCCHHW C40H53N13O9S4 987.2973 NA PeJP NA NA +PJ117605 GSSDDDMMM C35H57N9O18S3 987.2984 NA PeJP NA NA +PJ117606 GSPCCEMMM C36H61N9O13S5 987.2993 NA PeJP NA NA +PJ117607 GCCCNNNNF C36H53N13O14S3 987.2997 NA PeJP NA NA +PJ117608 GGGCCCNNNF C36H53N13O14S3 987.2998 NA PeJP NA NA +PJ117609 GSCCCNDMR C33H57N13O14S4 987.3031 NA PeJP NA NA +PJ117610 SSCCCNWW C41H53N11O12S3 987.3038 NA PeJP NA NA +PJ117611 NDDDDEEH C36H49N11O22 987.3054 NA PeJP NA NA +PJ117612 SSSSCCNDW C37H53N11O17S2 987.3063 NA PeJP NA NA +PJ117613 SCCNNMMW C38H57N11O12S4 987.3071 NA PeJP NA NA +PJ117614 GGGGSCCMMW C38H57N11O12S4 987.3072 NA PeJP NA NA +PJ117615 SSSSSSCNDD C33H53N11O22S 987.3088 NA PeJP NA NA +PJ117616 SSSCNNDMM C34H57N11O17S3 987.3096 NA PeJP NA NA +PJ117617 GGGGSSSCDMM C34H57N11O17S3 987.3097 NA PeJP NA NA +PJ117618 SPCCDDYW C42H53N9O15S2 987.3103 NA PeJP NA NA +PJ117619 CNNNMMMM C35H61N11O12S5 987.3105 NA PeJP NA NA +PJ117620 CCCDDHHR C35H53N15O13S3 987.311 NA PeJP NA NA +PJ117621 CCEMMWW C43H57N9O10S4 987.3112 NA PeJP NA NA +PJ117622 SNDDDEMY C38H53N9O20S 987.3128 NA PeJP NA NA +PJ117623 SSCDEMMW C39H57N9O15S3 987.3137 NA PeJP NA NA +PJ117624 SPCCMMMW C40H61N9O10S5 987.3145 NA PeJP NA NA +PJ117625 GCCDMHHW C40H53N13O11S3 987.315 NA PeJP NA NA +MJ099160 Perdeacylwilfortrine; 6,26-Dibenzoyl, 1,2,8,9,14-penta-Ac C50H53NO20 987.316093 NA MeJP NA NA +PJ117626 SSSSDDEMM C35H57N9O20S2 987.3162 NA PeJP NA NA +PJ117627 GSNNDDDDH C35H49N13O21 987.3166 NA PeJP NA NA +PJ117628 GGGSNDDDDH C35H49N13O21 987.3167 NA PeJP NA NA +PJ117629 SNDEMMMM C36H61N9O15S4 987.317 NA PeJP NA NA +PJ117630 GSCCNNNNY C36H53N13O16S2 987.3175 NA PeJP NA NA +PJ117631 CDMMYYY C44H57N7O13S3 987.3177 NA PeJP NA NA +PJ117632 PCNMMMMM C37H65N9O10S6 987.3179 NA PeJP NA NA +PJ117633 SCCCCQRW C37H57N13O11S4 987.3184 NA PeJP NA NA +PJ117634 GDDDDEHW C40H49N11O19 987.3207 NA PeJP NA NA +PJ117635 SSSCCCNER C33H57N13O16S3 987.3209 NA PeJP NA NA +PJ117636 GCCNNEYW C41H53N11O14S2 987.3215 NA PeJP NA NA +PJ117637 CCCNQMMR C34H61N13O11S5 987.3217 NA PeJP NA NA +PJ117638 GGCCCQMMR C34H61N13O11S5 987.3218 NA PeJP NA NA +PJ117639 GCCCCKWW C42H57N11O9S4 987.3224 NA PeJP NA NA +PJ117640 SCDDDDRY C37H53N11O19S 987.324 NA PeJP NA NA +PJ117641 GSSSCCQMW C38H57N11O14S3 987.3249 NA PeJP NA NA +PJ117642 CCDEFWW C46H53N9O12S2 987.3256 NA PeJP NA NA +PJ117643 GSSSSSCNEM C34H57N11O19S2 987.3274 NA PeJP NA NA +PJ117644 GSDDDMYW C42H53N9O17S 987.3281 NA PeJP NA NA +PJ117645 SCDDMMMR C35H61N11O14S4 987.3283 NA PeJP NA NA +PJ117646 SSSCCNNHH C35H53N15O15S2 987.3287 NA PeJP NA NA +PJ117647 GGGGSSSCCHH C35H53N15O15S2 987.3288 NA PeJP NA NA +PJ117648 GPCCEMYW C43H57N9O12S3 987.3289 NA PeJP NA NA +PJ117649 GSSTDDDEY C38H53N9O22 987.3305 NA PeJP NA NA +PJ117650 GSSSDDEEY C38H53N9O22 987.3306 NA PeJP NA NA +PJ117651 GNDEEMMY C39H57N9O17S2 987.3314 NA PeJP NA NA +PJ117652 CDDFYYY C47H53N7O15S 987.3321 NA PeJP NA NA +PJ117653 GSDMMMMW C40H61N9O12S4 987.3323 NA PeJP NA NA +PJ117654 SSCCEHHW C40H53N13O13S2 987.3328 NA PeJP NA NA +PJ117655 CCCCNMRR C33H61N15O10S5 987.333 NA PeJP NA NA +PJ117656 GSSSEEMMM C36H61N9O17S3 987.3348 NA PeJP NA NA +PJ117657 SSSSCDEHH C36H53N13O18S 987.3353 NA PeJP NA NA +PJ117658 GQEMMMMM C37H65N9O12S5 987.3357 NA PeJP NA NA +PJ117659 DDDDHWW C44H49N11O16 987.3359 NA PeJP NA NA +PJ117660 GSSSCCCRW C37H57N13O13S3 987.3361 NA PeJP NA NA +PJ117661 GGGGCCCEFR C37H57N13O13S3 987.3362 NA PeJP NA NA +PJ117662 CMMMFYY C45H61N7O10S4 987.3363 NA PeJP NA NA +PJ117663 CCNNYWW C45H53N11O11S2 987.3368 NA PeJP NA NA +PJ117664 GSSSSSCCDR C33H57N13O18S2 987.3386 NA PeJP NA NA +PJ117665 SSCNNDYW C41H53N11O16S 987.3393 NA PeJP NA NA +PJ117666 GSSCCNMMR C34H61N13O13S4 987.3395 NA PeJP NA NA +PJ117667 GCCNQMFW C42H57N11O11S3 987.3402 NA PeJP NA NA +PJ117668 SSSSNNDDY C37H53N11O21 987.3418 NA PeJP NA NA +PJ117669 SSSSSCNMW C38H57N11O16S2 987.3426 NA PeJP NA NA +PJ117670 GGSSSSSCMW C38H57N11O16S2 987.3427 NA PeJP NA NA +PJ117671 SCDEYWW C46H53N9O14S 987.3433 NA PeJP NA NA +PJ117672 SCCCQKMW C39H61N11O11S4 987.3435 NA PeJP NA NA +PJ117673 CCNNNHHF C39H53N15O12S2 987.344 NA PeJP NA NA +PJ117674 PCCMYWW C47H57N9O9S3 987.3442 NA PeJP NA NA +PJ117675 SSSSSSSNDM C34H57N11O21S 987.3451 NA PeJP NA NA +PJ117676 GASSSSSSSCE C34H57N11O21S 987.3452 NA PeJP NA NA +PJ117677 SSSDDEYW C42H53N9O19 987.3458 NA PeJP NA NA +PJ117678 SSSSNNMMM C35H61N11O16S3 987.346 NA PeJP NA NA +PJ117679 CNNDDDHR C35H53N15O17S 987.3465 NA PeJP NA NA +PJ117680 NDEMMYW C43H57N9O14S2 987.3467 NA PeJP NA NA +PJ117681 GCEMMMMR C36H65N11O11S5 987.3469 NA PeJP NA NA +PJ117682 SCCDMHHR C36H57N15O12S3 987.3474 NA PeJP NA NA +PJ117683 TCMMMWW C44H61N9O9S4 987.3475 NA PeJP NA NA +PJ117684 APCCMMFW C44H61N9O9S4 987.3476 NA PeJP NA NA +PJ117685 SSNEEEMY C39H57N9O19S 987.3492 NA PeJP NA NA +PJ117686 SDDYYYY C47H53N7O17 987.3498 NA PeJP NA NA +PJ117687 SSSEMMMW C40H61N9O14S3 987.35 NA PeJP NA NA +PJ117688 GGSPDMMMY C40H61N9O14S3 987.3501 NA PeJP NA NA +PJ117689 GNNDDMHW C40H53N13O15S 987.3505 NA PeJP NA NA +PJ117690 CDMFFYY C48H57N7O12S2 987.3507 NA PeJP NA NA +PJ117691 QMMMMMW C41H65N9O9S5 987.3509 NA PeJP NA NA +PJ117692 GCCCNFRW C41H57N13O10S3 987.3514 NA PeJP NA NA +PJ117693 SSSSTEEMM C36H61N9O19S2 987.3525 NA PeJP NA NA +PJ117694 SDDDDEHR C36H53N13O20 987.353 NA PeJP NA NA +PJ117695 GGGGGGGPNDDE C36H53N13O20 987.3531 NA PeJP NA NA +PJ117696 STQEMMMM C37H65N9O14S4 987.3534 NA PeJP NA NA +PJ117697 SCCNNERY C37H57N13O15S2 987.3539 NA PeJP NA NA +PJ117698 SMMMYYY C45H61N7O12S3 987.3541 NA PeJP NA NA +PJ117699 SCCCCKRW C38H61N13O10S4 987.3548 NA PeJP NA NA +PJ117700 SCCQHHHH C38H53N17O11S2 987.3552 NA PeJP NA NA +PJ117701 ATDDDEHW C41H53N11O18 987.357 NA PeJP NA NA +PJ117702 GSDEEEHW C41H53N11O18 987.3571 NA PeJP NA NA +PJ117703 SSSSCCQMR C34H61N13O15S3 987.3573 NA PeJP NA NA +PJ117704 CDDMRYW C42H57N11O13S2 987.3579 NA PeJP NA NA +PJ117705 CCCNKMMR C35H65N13O10S5 987.3581 NA PeJP NA NA +PJ117706 GSSSSSSTCW C38H57N11O18S 987.3604 NA PeJP NA NA +PJ117707 NDDEFYW C46H53N9O16 987.3611 NA PeJP NA NA +PJ117708 GSSSCCKMW C39H61N11O13S3 987.3613 NA PeJP NA NA +PJ117709 SCNNNNHW C39H53N15O14S 987.3617 NA PeJP NA NA +PJ117710 GGSCNNNHW C39H53N15O14S 987.3618 NA PeJP NA NA +PJ117711 GDMMYWW C47H57N9O11S2 987.3619 NA PeJP NA NA +PJ117712 CMMMMRW C40H65N11O8S5 987.3622 NA PeJP NA NA +PJ117713 GSSSSSSSSSE C34H57N11O23 987.3629 NA PeJP NA NA +PJ117714 GSSSSSSQMM C35H61N11O18S2 987.3638 NA PeJP NA NA +PJ117715 SSSNNNNDH C35H53N15O19 987.3642 NA PeJP NA NA +PJ117716 GGSSSNNNDH C35H53N15O19 987.3643 NA PeJP NA NA +PJ117717 GSSEEMYW C43H57N9O16S 987.3644 NA PeJP NA NA +PJ117718 GGGDEEMFF C43H57N9O16S 987.3645 NA PeJP NA NA +PJ117719 SSDMMMMR C36H65N11O13S4 987.3647 NA PeJP NA NA +PJ117720 GSPCCNDHR C36H57N15O14S2 987.3651 NA PeJP NA NA +PJ117721 GGGGGGGGNMMH C36H57N15O14S2 987.3652 NA PeJP NA NA +PJ117722 GPTCMMYW C44H61N9O11S3 987.3653 NA PeJP NA NA +PJ117723 CNNEHWW C44H53N13O12S 987.3658 NA PeJP NA NA +PJ117724 ACCMMHHR C37H61N15O9S4 987.366 NA PeJP NA NA +PJ117725 GSSSTEEEY C39H57N9O21 987.3669 NA PeJP NA NA +PJ117726 GSPPDEEEE C39H57N9O21 987.367 NA PeJP NA NA +PJ117727 GTQEEMMY C40H61N9O16S2 987.3678 NA PeJP NA NA +PJ117728 SSNNDEHW C40H53N13O17 987.3683 NA PeJP NA NA +PJ117729 GEMYYYY C48H57N7O14S 987.3684 NA PeJP NA NA +PJ117730 SSSSCCCRR C33H61N15O14S3 987.3685 NA PeJP NA NA +PJ117731 GTTMMMMW C41H65N9O11S4 987.3687 NA PeJP NA NA +PJ117732 GSCCNRYW C41H57N13O12S2 987.3691 NA PeJP NA NA +PJ117733 GGGSCCRYW C41H57N13O12S2 987.3692 NA PeJP NA NA +PJ117734 CMMFFFY C49H61N7O9S3 987.3693 NA PeJP NA NA +PJ117735 GSTTTEMMM C37H65N9O16S3 987.3712 NA PeJP NA NA +PJ117736 GSSSCNDRY C37H57N13O17S 987.3716 NA PeJP NA NA +PJ117737 GGGSSSCDRY C37H57N13O17S 987.3717 NA PeJP NA NA +PJ117738 SVQMMMMM C38H69N9O11S5 987.372 NA PeJP NA NA +PJ117739 GKEMMMMM C38H69N9O11S5 987.3721 NA PeJP NA NA +PJ117740 SDEEHWW C45H53N11O15 987.3723 NA PeJP NA NA +PJ117741 GCNNMMRY C38H61N13O12S3 987.3725 NA PeJP NA NA +PJ117742 GSSSCHHHH C38H53N17O13S 987.373 NA PeJP NA NA +PJ117743 PCEMHWW C46H57N11O10S2 987.3732 NA PeJP NA NA +PJ117744 GSSSSSSCMR C34H61N13O17S2 987.375 NA PeJP NA NA +PJ117745 GNNNNNNNN C34H53N17O18 987.3755 NA PeJP NA NA +PJ117746 GGGGGGGGGGGGGGGGG C34H53N17O18 987.3756 NA PeJP NA NA +PJ117747 SSSNNMYW C42H57N11O15S 987.3757 NA PeJP NA NA +PJ117748 GSTCCCKMR C35H65N13O12S4 987.3759 NA PeJP NA NA +PJ117749 GDDFYWW C50H53N9O13 987.3763 NA PeJP NA NA +PJ117750 CCNNNQHR C35H57N17O13S2 987.3764 NA PeJP NA NA +PJ117751 CDMMFRW C43H61N11O10S3 987.3765 NA PeJP NA NA +PJ117752 GGGCCKMFW C43H61N11O10S3 987.3766 NA PeJP NA NA +PJ117753 GPCDHHHW C43H53N15O11S 987.377 NA PeJP NA NA +PJ117754 PCCFFWW C51H57N9O8S2 987.3772 NA PeJP NA NA +PJ117755 SSSSSNQEY C38H57N11O20 987.3781 NA PeJP NA NA +PJ117756 SSSSSSSSSW C38H57N11O20 987.3782 NA PeJP NA NA +PJ117757 SSSSTCCKW C39H61N11O15S2 987.379 NA PeJP NA NA +PJ117758 GGGGGGTTMMY C39H61N11O15S2 987.3791 NA PeJP NA NA +PJ117759 NNNNNDHF C39H53N15O16 987.3795 NA PeJP NA NA +PJ117760 GGGGGGGGGGDHF C39H53N15O16 987.3796 NA PeJP NA NA +PJ117761 SSEMYWW C47H57N9O13S 987.3797 NA PeJP NA NA +PJ117762 SCCCKKMW C40H65N11O10S4 987.3799 NA PeJP NA NA +PJ117763 GCCEHHFR C40H57N15O11S2 987.3804 NA PeJP NA NA +PJ117764 GMMMFWW C48H61N9O8S3 987.3806 NA PeJP NA NA +PJ117765 GCNHWWW C48H53N13O9S 987.381 NA PeJP NA NA +PJ117766 SSSSSSSTQM C35H61N11O20S 987.3815 NA PeJP NA NA +PJ117767 SSSTEEYW C43H57N9O18 987.3822 NA PeJP NA NA +PJ117768 SSSSCQKMM C36H65N11O15S3 987.3824 NA PeJP NA NA +PJ117769 SNNDDMHR C36H57N15O16S 987.3829 NA PeJP NA NA +PJ117770 TQEMMYW C44H61N9O13S2 987.3831 NA PeJP NA NA +PJ117771 GTMMMMMR C37H69N11O10S5 987.3833 NA PeJP NA NA +PJ117772 GSSNDHWW C44H53N13O14 987.3835 NA PeJP NA NA +PJ117773 GGGDDHHFF C44H53N13O14 987.3836 NA PeJP NA NA +PJ117774 MYYYYW C52H57N7O11S 987.3837 NA PeJP NA NA +PJ117775 GCCCQRRY C37H61N15O11S3 987.3838 NA PeJP NA NA +PJ117776 CQMHHFW C45H57N13O9S2 987.3844 NA PeJP NA NA +PJ117777 SSSSPTEMY C40H61N9O18S 987.3855 NA PeJP NA NA +PJ117778 SSDKEEMY C40H61N9O18S 987.3856 NA PeJP NA NA +PJ117779 STEYYYY C48H57N7O16 987.3862 NA PeJP NA NA +PJ117780 STTTMMMW C41H65N9O13S3 987.3864 NA PeJP NA NA +PJ117781 DDEMHRW C41H57N13O14S 987.3869 NA PeJP NA NA +PJ117782 AMMFYYY C49H61N7O11S2 987.3871 NA PeJP NA NA +PJ117783 KMMMMMW C42H69N9O8S5 987.3873 NA PeJP NA NA +PJ117784 GCNHHHHF C42H53N17O10S 987.3883 NA PeJP NA NA +PJ117785 SSTTTTEMM C37H65N9O18S2 987.3889 NA PeJP NA NA +PJ117786 SSDEEEHR C37H57N13O19 987.3894 NA PeJP NA NA +PJ117787 STKEMMMM C38H69N9O13S4 987.3898 NA PeJP NA NA +PJ117788 SSCNQMRY C38H61N13O14S2 987.3903 NA PeJP NA NA +PJ117789 SNNNEHHH C38H53N17O15 987.3907 NA PeJP NA NA +PJ117790 GDDDHHHR C38H53N17O15 987.3908 NA PeJP NA NA +PJ117791 AEEMHWW C46H57N11O12S 987.3909 NA PeJP NA NA +PJ117792 ACKMMMHH C39H65N13O9S4 987.3912 NA PeJP NA NA +PJ117793 SCCKHHHH C39H57N17O10S2 987.3916 NA PeJP NA NA +PJ117794 SSSSSSSTCR C34H61N13O19S 987.3928 NA PeJP NA NA +PJ117795 GSSSSSQYW C42H57N11O17 987.3934 NA PeJP NA NA +PJ117796 GGGGAPEEEW C42H57N11O17 987.3935 NA PeJP NA NA +PJ117797 SSSSCCKMR C35H65N13O14S3 987.3936 NA PeJP NA NA +PJ117798 GSSCNNNHR C35H57N17O15S 987.3941 NA PeJP NA NA +PJ117799 SDMMRYW C43H61N11O12S2 987.3943 NA PeJP NA NA +PJ117800 NEEHHHW C43H53N15O13 987.3948 NA PeJP NA NA +PJ117801 APCYYWW C51H57N9O10S 987.3949 NA PeJP NA NA +PJ117802 GDMFFWW C51H57N9O10S 987.395 NA PeJP NA NA +PJ117803 CCHHFRW C44H57N15O8S2 987.3956 NA PeJP NA NA +PJ117804 SSSEEMRY C39H61N11O17S 987.3968 NA PeJP NA NA +PJ117805 AQEEYYW C47H57N9O15 987.3974 NA PeJP NA NA +PJ117806 GAAEEYYW C47H57N9O15 987.3975 NA PeJP NA NA +PJ117807 QEMMMRY C40H65N11O12S3 987.3977 NA PeJP NA NA +PJ117808 GSCNEHRW C40H57N15O13S 987.3981 NA PeJP NA NA +PJ117809 GGGSCEHRW C40H57N15O13S 987.3982 NA PeJP NA NA +PJ117810 ATMMYWW C48H61N9O10S2 987.3983 NA PeJP NA NA +PJ117811 GSSSSSSSTTT C35H61N11O22 987.3993 NA PeJP NA NA +PJ117812 GSSSSSSKMM C36H65N11O17S2 987.4002 NA PeJP NA NA +PJ117813 GSSSNDEHR C36H57N15O18 987.4006 NA PeJP NA NA +PJ117814 GGGSSSDEHR C36H57N15O18 987.4007 NA PeJP NA NA +PJ117815 GTTTEMYW C44H61N9O15S 987.4008 NA PeJP NA NA +PJ117816 STTMMMMR C37H69N11O12S4 987.401 NA PeJP NA NA +PJ117817 GPYYYYY C52H57N7O13 987.4015 NA PeJP NA NA +PJ117818 VQMMMYW C45H65N9O10S3 987.4017 NA PeJP NA NA +PJ117819 SNQMHWW C45H57N13O11S 987.4021 NA PeJP NA NA +PJ117820 GGSQMHWW C45H57N13O11S 987.4022 NA PeJP NA NA +PJ117821 CMFFFFF C53H61N7O8S2 987.4023 NA PeJP NA NA +PJ117822 SSSSSLEEY C40H61N9O20 987.4033 NA PeJP NA NA +PJ117823 GTKEEMMY C41H65N9O15S2 987.4042 NA PeJP NA NA +PJ117824 SSSSSPNHW C41H57N13O16 987.4046 NA PeJP NA NA +PJ117825 GPNDDERW C41H57N13O16 987.4047 NA PeJP NA NA +PJ117826 SVMYYYY C49H61N7O13S 987.4048 NA PeJP NA NA +PJ117827 GPKMMMMY C42H69N9O10S4 987.4051 NA PeJP NA NA +PJ117828 QQQMMHW C42H61N13O11S2 987.4055 NA PeJP NA NA +PJ117829 GGGGGVMMHW C42H61N13O11S2 987.4056 NA PeJP NA NA +PJ117830 GSNNHHHW C42H53N17O12 987.406 NA PeJP NA NA +PJ117831 PPCNWWW C50H57N11O9S 987.4062 NA PeJP NA NA +PJ117832 SSSTTLMMM C38H69N9O15S3 987.4075 NA PeJP NA NA +PJ117833 STTTTCLMM C38H69N9O15S3 987.4076 NA PeJP NA NA +PJ117834 GSSSSNMRY C38H61N13O16S 987.408 NA PeJP NA NA +PJ117835 GGGSPPDDMR C38H61N13O16S 987.4081 NA PeJP NA NA +PJ117836 SVKMMMMM C39H73N9O10S5 987.4084 NA PeJP NA NA +PJ117837 TTEEHWW C46H57N11O14 987.4087 NA PeJP NA NA +PJ117838 CEMMRRY C39H65N13O11S3 987.4089 NA PeJP NA NA +PJ117839 SPCDHHHR C39H57N17O12S 987.4094 NA PeJP NA NA +PJ117840 PTMMHWW C47H61N11O9S2 987.4096 NA PeJP NA NA +PJ117841 GEHHHWW C47H53N15O10 987.41 NA PeJP NA NA +PJ117842 NNNNNNER C35H57N17O17 987.4119 NA PeJP NA NA +PJ117843 SSSCQKYW C43H61N11O14S 987.412 NA PeJP NA NA +PJ117844 GGSSTCKYW C43H61N11O14S 987.4121 NA PeJP NA NA +PJ117845 AAEYYWW C51H57N9O12 987.4127 NA PeJP NA NA +PJ117846 GCNDMHRR C36H61N17O12S2 987.4128 NA PeJP NA NA +PJ117847 AMMMRYW C44H65N11O9S3 987.4129 NA PeJP NA NA +PJ117848 SCNHRWW C44H57N15O10S 987.4134 NA PeJP NA NA +PJ117849 SSSSSNKEY C39H61N11O19 987.4145 NA PeJP NA NA +PJ117850 GGGSSSSSSLY C39H61N11O19 987.4146 NA PeJP NA NA +PJ117851 GTTEMMRY C40H65N11O14S2 987.4154 NA PeJP NA NA +PJ117852 GGGGGPPVEMM C40H65N11O14S2 987.4155 NA PeJP NA NA +PJ117853 SSSNDHRW C40H57N15O15 987.4159 NA PeJP NA NA +PJ117854 TTTMYWW C48H61N9O12S 987.4161 NA PeJP NA NA +PJ117855 AAMMMMFR C41H69N11O9S4 987.4163 NA PeJP NA NA +PJ117856 FFYYYW C56H57N7O10 987.4167 NA PeJP NA NA +PJ117857 NNMMHRW C41H61N15O10S2 987.4168 NA PeJP NA NA +PJ117858 SSSSSSSTKM C36H65N11O19S 987.4179 NA PeJP NA NA +PJ117859 STTTTEYW C44H61N9O17 987.4186 NA PeJP NA NA +PJ117860 SSSSCKKMM C37H69N11O14S3 987.4188 NA PeJP NA NA +PJ117861 SSNQEMHR C37H61N15O15S 987.4193 NA PeJP NA NA +PJ117862 TKEMMYW C45H65N9O12S2 987.4194 NA PeJP NA NA +PJ117863 PPPTEMMW C45H65N9O12S2 987.4195 NA PeJP NA NA +PJ117864 PNDDRWW C45H57N13O13 987.4199 NA PeJP NA NA +PJ117865 AMFFFYY C53H61N7O10S 987.4201 NA PeJP NA NA +PJ117866 GPPPCCCRR C38H65N15O10S3 987.4202 NA PeJP NA NA +PJ117867 GCNQHHHR C38H57N19O11S 987.4206 NA PeJP NA NA +PJ117868 CKMHHFW C46H61N13O8S2 987.4208 NA PeJP NA NA +PJ117869 STTKEEMY C41H65N9O17S 987.4219 NA PeJP NA NA +PJ117870 PPKEEEEM C41H65N9O17S 987.422 NA PeJP NA NA +PJ117871 GVKEMMMY C42H69N9O12S3 987.4228 NA PeJP NA NA +PJ117872 TEEMHRW C42H61N13O13S 987.4233 NA PeJP NA NA +PJ117873 GPQEWWW C50H57N11O11 987.4239 NA PeJP NA NA +PJ117874 GGGGNFFFW C50H57N11O11 987.424 NA PeJP NA NA +PJ117875 PMMMHRW C43H65N13O8S3 987.4242 NA PeJP NA NA +PJ117876 HHHWWW C51H53N15O7 987.4253 NA PeJP NA NA +PJ117877 SSSSSSQRY C38H61N13O18 987.4258 NA PeJP NA NA +PJ117878 SSCNKMRY C39H65N13O13S2 987.4267 NA PeJP NA NA +PJ117879 GNNNNNRW C39H57N17O14 987.4271 NA PeJP NA NA +PJ117880 GGGGGGGNNRW C39H57N17O14 987.4272 NA PeJP NA NA +PJ117881 SLEMHWW C47H61N11O11S 987.4273 NA PeJP NA NA +PJ117882 TFYWWW C55H57N9O9 987.428 NA PeJP NA NA +PJ117883 GSSSSSKYW C43H61N11O16 987.4298 NA PeJP NA NA +PJ117884 SSCNEHRR C36H61N17O14S 987.4305 NA PeJP NA NA +PJ117885 TTMMRYW C44H65N11O11S2 987.4307 NA PeJP NA NA +PJ117886 NNDHFRW C44H57N15O12 987.4311 NA PeJP NA NA +PJ117887 GGNDHFRW C44H57N15O12 987.4312 NA PeJP NA NA +PJ117888 GVMFYWW C52H61N9O9S 987.4313 NA PeJP NA NA +PJ117889 HHHHHHF C45H53N19O8 987.4325 NA PeJP NA NA +PJ117890 STTTEMRY C40H65N11O16S 987.4332 NA PeJP NA NA +PJ117891 PLEEEWW C48H61N9O14 987.4338 NA PeJP NA NA +PJ117892 GGGVEEFFF C48H61N9O14 987.4339 NA PeJP NA NA +PJ117893 GSLMMMRY C41H69N11O11S3 987.434 NA PeJP NA NA +PJ117894 KEMMMRY C41H69N11O11S3 987.4341 NA PeJP NA NA +PJ117895 GSSQMHRW C41H61N15O12S 987.4345 NA PeJP NA NA +PJ117896 GGGGGGGPMRW C41H61N15O12S 987.4346 NA PeJP NA NA +PJ117897 VQMMFFW C49H65N9O9S2 987.4347 NA PeJP NA NA +PJ117898 GQQHFWW C49H57N13O10 987.4352 NA PeJP NA NA +PJ117899 SPNDDERR C37H61N15O17 987.437 NA PeJP NA NA +PJ117900 GGGGGAAQEER C37H61N15O17 987.4371 NA PeJP NA NA +PJ117901 SSTTLMYW C45H65N9O14S 987.4372 NA PeJP NA NA +PJ117902 GLFYYYY C53H61N7O12 987.4378 NA PeJP NA NA +PJ117903 EEMMHRR C38H65N15O12S2 987.4379 NA PeJP NA NA +PJ117904 VKMMMYW C46H69N9O9S3 987.4381 NA PeJP NA NA +PJ117905 SSNNHHHR C38H57N19O13 987.4384 NA PeJP NA NA +PJ117906 GSPPCRWW C46H61N13O10S 987.4385 NA PeJP NA NA +PJ117907 GGSKMHWW C46H61N13O10S 987.4386 NA PeJP NA NA +PJ117908 PQWWWW C54H57N11O8 987.4392 NA PeJP NA NA +PJ117909 SSSTTTLEY C41H65N9O19 987.4397 NA PeJP NA NA +PJ117910 SSLKEMMY C42H69N9O14S2 987.4406 NA PeJP NA NA +PJ117911 GSPQEERW C42H61N13O15 987.441 NA PeJP NA NA +PJ117912 ASPNEERW C42H61N13O15 987.4411 NA PeJP NA NA +PJ117913 GLKMMMMF C43H73N9O9S4 987.4415 NA PeJP NA NA +PJ117914 VEMMHRW C43H65N13O10S2 987.4419 NA PeJP NA NA +PJ117915 SEHHHRW C43H57N17O11 987.4424 NA PeJP NA NA +PJ117916 MFRYWW C51H61N11O8S 987.4426 NA PeJP NA NA +PJ117917 GSSSTCKRY C39H65N13O15S 987.4444 NA PeJP NA NA +PJ117918 GGGGGGAAPKEM C39H65N13O15S 987.4445 NA PeJP NA NA +PJ117919 PNKEEWW C47H61N11O13 987.4451 NA PeJP NA NA +PJ117920 TMMMRRY C40H69N13O10S3 987.4453 NA PeJP NA NA +PJ117921 GSSCHRRW C40H61N17O11S 987.4458 NA PeJP NA NA +PJ117922 VVMMHWW C48H65N11O8S2 987.4459 NA PeJP NA NA +PJ117923 SVHHHWW C48H57N15O9 987.4464 NA PeJP NA NA +PJ117924 SNNNQQQR C36H61N17O16 987.4482 NA PeJP NA NA +PJ117925 GSSSSDHRR C36H61N17O16 987.4483 NA PeJP NA NA +PJ117926 SSSCKKYW C44H65N11O13S 987.4484 NA PeJP NA NA +PJ117927 GGSPPKEMW C44H65N11O13S 987.4485 NA PeJP NA NA +PJ117928 GTLYYWW C52H61N9O11 987.4491 NA PeJP NA NA +PJ117929 LQMHHHW C45H61N15O9S 987.4498 NA PeJP NA NA +PJ117930 SSSSSDKKY C40H65N11O18 987.4509 NA PeJP NA NA +PJ117931 SPLEEEER C40H65N11O18 987.451 NA PeJP NA NA +PJ117932 SSTLMMRY C41H69N11O13S2 987.4518 NA PeJP NA NA +PJ117933 GSPDDRRW C41H61N15O14 987.4523 NA PeJP NA NA +PJ117934 CLLQYYW C49H65N9O11S 987.4524 NA PeJP NA NA +PJ117935 PTKMYYW C49H65N9O11S 987.4525 NA PeJP NA NA +PJ117936 AFFFFFY C57H61N7O9 987.4531 NA PeJP NA NA +PJ117937 APPCCRRW C42H65N15O9S2 987.4532 NA PeJP NA NA +PJ117938 GVQHHHHH C42H57N19O10 987.4536 NA PeJP NA NA +PJ117939 ASSSPTLYY C45H65N9O16 987.4549 NA PeJP NA NA +PJ117940 SPVLEEEW C45H65N9O16 987.455 NA PeJP NA NA +PJ117941 STTQQMHR C38H65N15O14S 987.4556 NA PeJP NA NA +PJ117942 GPNEEMRR C38H65N15O14S 987.4557 NA PeJP NA NA +PJ117943 PPVVEMMW C46H69N9O11S2 987.4558 NA PeJP NA NA +PJ117944 SPQERWW C46H61N13O12 987.4563 NA PeJP NA NA +PJ117945 DMHHHRR C39H61N19O10S 987.457 NA PeJP NA NA +PJ117946 SSSSTLLMY C42H69N9O16S 987.4583 NA PeJP NA NA +PJ117947 GAPLLEEEM C42H69N9O16S 987.4584 NA PeJP NA NA +PJ117948 ATLKMMMY C43H73N9O11S3 987.4592 NA PeJP NA NA +PJ117949 SNNNNNRR C35H61N19O15 987.4595 NA PeJP NA NA +PJ117950 AAPQEMRW C43H65N13O12S 987.4597 NA PeJP NA NA +PJ117951 GPKEWWW C51H61N11O10 987.4603 NA PeJP NA NA +PJ117952 GTCCHRRR C36H65N19O10S2 987.4604 NA PeJP NA NA +PJ117953 CLHHHRW C44H61N17O8S 987.461 NA PeJP NA NA +PJ117954 SSSSSSKRY C39H65N13O17 987.4622 NA PeJP NA NA +PJ117955 STCCKKRY C40H69N13O12S2 987.463 NA PeJP NA NA +PJ117956 ATLEMMHR C40H69N13O12S2 987.4631 NA PeJP NA NA +PJ117957 NNNERRW C40H61N17O13 987.4635 NA PeJP NA NA +PJ117958 GGGGGGGAPKHH C40H61N17O13 987.4636 NA PeJP NA NA +PJ117959 GSPPKMWW C48H65N11O10S 987.4637 NA PeJP NA NA +PJ117960 GVFFFWW C56H61N9O8 987.4644 NA PeJP NA NA +PJ117961 QHHHHHR C41H57N21O9 987.4649 NA PeJP NA NA +PJ117962 TTTTLEHW C44H65N11O15 987.4662 NA PeJP NA NA +PJ117963 GPCDERRR C37H65N17O13S 987.4669 NA PeJP NA NA +PJ117964 GTLLMMHW C45H69N11O10S2 987.4671 NA PeJP NA NA +PJ117965 GQQQRWW C45H61N15O11 987.4675 NA PeJP NA NA +PJ117966 GGGAAQRWW C45H61N15O11 987.4676 NA PeJP NA NA +PJ117967 LMHFFFF C53H65N9O8S 987.4677 NA PeJP NA NA +MJ099161 Cephabacin M; Cephabacin M4 C41H69N11O15S 987.469531 NA MeJP NA NA +PJ117968 GSSSTKKMY C41H69N11O15S 987.4696 NA PeJP NA NA +PJ117969 SLKEYYW C49H65N9O13 987.4702 NA PeJP NA NA +PJ117970 GCKKKMMY C42H73N11O10S3 987.4704 NA PeJP NA NA +PJ117971 GGVLLMMMH C42H73N11O10S3 987.4705 NA PeJP NA NA +PJ117972 PNEMRRW C42H65N15O11S 987.4709 NA PeJP NA NA +PJ117973 VKMMFFW C50H69N9O8S2 987.4711 NA PeJP NA NA +PJ117974 GPTRWWW C50H61N13O9 987.4716 NA PeJP NA NA +PJ117975 AAQEEERR C38H65N15O16 987.4734 NA PeJP NA NA +PJ117976 GGGGGGGGGAKKE C38H65N15O16 987.4735 NA PeJP NA NA +PJ117977 APLLEEMW C46H69N9O13S 987.4736 NA PeJP NA NA +PJ117978 SPPNMMRR C39H69N15O11S2 987.4743 NA PeJP NA NA +PJ117979 GPNDHHRR C39H61N19O12 987.4748 NA PeJP NA NA +PJ117980 PVNMRWW C47H65N13O9S 987.4749 NA PeJP NA NA +PJ117981 PKWWWW C55H61N11O7 987.4756 NA PeJP NA NA +PJ117982 STTTTTTLY C42H69N9O18 987.4761 NA PeJP NA NA +PJ117983 TTTLKMMY C43H73N9O13S2 987.477 NA PeJP NA NA +PJ117984 GSPKEERW C43H65N13O14 987.4774 NA PeJP NA NA +PJ117985 GGAALEERW C43H65N13O14 987.4775 NA PeJP NA NA +PJ117986 SSSCHRRR C36H65N19O12S 987.4781 NA PeJP NA NA +PJ117987 APPCKMRW C44H69N13O9S2 987.4783 NA PeJP NA NA +PJ117988 GNNRRWW C44H61N17O10 987.4788 NA PeJP NA NA +PJ117989 TTTLEMHR C40H69N13O14S 987.4808 NA PeJP NA NA +PJ117990 ASPTLQWW C48H65N11O12 987.4814 NA PeJP NA NA +MJ099162 Periplanetin CC2 C48H65N11O12 987.481416 NA MeJP NA NA +PJ117991 PDKKEWW C48H65N11O12 987.4815 NA PeJP NA NA +PJ117992 GLLMMMHR C41H73N13O9S3 987.4817 NA PeJP NA NA +PJ117993 NQMHFRR C41H65N17O10S 987.4821 NA PeJP NA NA +PJ117994 PCDRRRW C41H65N17O10S 987.4822 NA PeJP NA NA +PJ117995 PKHHHFW C49H61N15O8 987.4828 NA PeJP NA NA +PJ117996 NEEERRR C37H65N17O15 987.4846 NA PeJP NA NA +PJ117997 GGEEERRR C37H65N17O15 987.4847 NA PeJP NA NA +MJ099163 Carbetocin C45H69N11O12S 987.484787 NA MeJP NA NA +PJ117998 STTLLMHW C45H69N11O12S 987.4848 NA PeJP NA NA +PJ117999 GGGGGPPVLMF C45H69N11O12S 987.4849 NA PeJP NA NA +PJ118000 PTKFFYW C53H65N9O10 987.4855 NA PeJP NA NA +PJ118001 GPMRRWW C46H65N15O8S 987.4862 NA PeJP NA NA +PJ118002 SSSSTTKKY C41H69N11O17 987.4873 NA PeJP NA NA +PJ118003 GGGGLLKEEE C41H69N11O17 987.4874 NA PeJP NA NA +PJ118004 STCKKKMY C42H73N11O12S2 987.4882 NA PeJP NA NA +PJ118005 VNEERRW C42H65N15O13 987.4887 NA PeJP NA NA +PJ118006 VVKMYYW C50H69N9O10S 987.4888 NA PeJP NA NA +PJ118007 PPPVVMYW C50H69N9O10S 987.4889 NA PeJP NA NA +PJ118008 CKKMHRW C43H69N15O8S2 987.4895 NA PeJP NA NA +PJ118009 APPHHHHR C43H61N19O9 987.49 NA PeJP NA NA +PJ118010 PTTILEEW C46H69N9O15 987.4913 NA PeJP NA NA +PJ118011 GLLLEEEW C46H69N9O15 987.4914 NA PeJP NA NA +PJ118012 APTQEMRR C39H69N15O13S 987.492 NA PeJP NA NA +PJ118013 GPDKEMRR C39H69N15O13S 987.4921 NA PeJP NA NA +PJ118014 PPTLLMMW C47H73N9O10S2 987.4922 NA PeJP NA NA +PJ118015 SPKERWW C47H65N13O11 987.4927 NA PeJP NA NA +PJ118016 CNHFRRR C40H65N19O9S 987.4934 NA PeJP NA NA +PJ118017 PLLKEEEM C43H73N9O15S 987.4947 NA PeJP NA NA +PJ118018 GPPVLLMMM C44H77N9O10S3 987.4956 NA PeJP NA NA +PJ118019 DDDRRRR C36H65N19O14 987.4959 NA PeJP NA NA +PJ118020 AAPKEMRW C44H69N13O11S 987.4961 NA PeJP NA NA +PJ118021 SPVKWWW C52H65N11O9 987.4967 NA PeJP NA NA +PJ118022 VTQQQQKE C40H69N13O16 987.4985 NA PeJP NA NA +PJ118023 GLQKEEER C40H69N13O16 987.4986 NA PeJP NA NA +PJ118024 STLLMMHR C41H73N13O11S2 987.4994 NA PeJP NA NA +PJ118025 GGGGPLLMMR C41H73N13O11S2 987.4995 NA PeJP NA NA +PJ118026 GEERRRW C41H65N17O12 987.4999 NA PeJP NA NA +PJ118027 PLQKMWW C49H69N11O9S 987.5001 NA PeJP NA NA +PJ118028 KHHHHHR C42H61N21O8 987.5013 NA PeJP NA NA +PJ118029 APTKKEEW C45H69N11O14 987.5026 NA PeJP NA NA +PJ118030 GSPEMRRR C38H69N17O12S 987.5033 NA PeJP NA NA +PJ118031 APPKKMMW C46H73N11O9S2 987.5035 NA PeJP NA NA +PJ118032 GVERRWW C46H65N15O10 987.5039 NA PeJP NA NA +PJ118033 STTTCLLLH C42H73N11O14S 987.5059 NA PeJP NA NA +PJ118034 PTLLEEMR C42H73N11O14S 987.506 NA PeJP NA NA +PJ118035 LLLEEWW C50H69N9O12 987.5066 NA PeJP NA NA +PJ118036 PPLLMMMR C43H77N11O9S3 987.5068 NA PeJP NA NA +PJ118037 PDKMRRW C43H69N15O10S 987.5073 NA PeJP NA NA +PJ118038 AALRWWW C51H65N13O8 987.508 NA PeJP NA NA +PJ118039 AAKEEERR C39H69N15O15 987.5098 NA PeJP NA NA +PJ118040 SPLLLEMW C47H73N9O12S 987.51 NA PeJP NA NA +PJ118041 GPLQMMRR C40H73N15O10S2 987.5107 NA PeJP NA NA +PJ118042 SNNRRRW C40H65N19O11 987.5111 NA PeJP NA NA +PJ118043 GGGGSRRRW C40H65N19O11 987.5112 NA PeJP NA NA +PJ118044 PCLKRWW C48H69N13O8S 987.5113 NA PeJP NA NA +PJ118045 VLLKEEEE C43H73N9O17 987.5125 NA PeJP NA NA +PJ118046 SSPPLLLMM C44H77N9O12S2 987.5133 NA PeJP NA NA +PJ118047 AAPLLLEMM C44H77N9O12S2 987.5134 NA PeJP NA NA +PJ118048 LQKEERW C44H69N13O13 987.5138 NA PeJP NA NA +PJ118049 GGGGGGAAPLKF C44H69N13O13 987.5139 NA PeJP NA NA +PJ118050 NQQMRRR C37H69N19O11S 987.5145 NA PeJP NA NA +PJ118051 KKKMMHW C45H73N13O8S2 987.5147 NA PeJP NA NA +PJ118052 ERRRWW C45H65N17O9 987.5152 NA PeJP NA NA +PJ118053 APKKEEMR C41H73N13O13S 987.5172 NA PeJP NA NA +PJ118054 VLQKEWW C49H69N11O11 987.5178 NA PeJP NA NA +PJ118055 GGLLKEWW C49H69N11O11 987.5179 NA PeJP NA NA +PJ118056 SPMRRRW C42H69N17O9S 987.5185 NA PeJP NA NA +PJ118057 VRRWWW C50H65N15O7 987.5192 NA PeJP NA NA +PJ118058 DKEERRR C38H69N17O14 987.521 NA PeJP NA NA +PJ118059 GGGGATKERR C38H69N17O14 987.5211 NA PeJP NA NA +PJ118060 GPLKKEMW C46H73N11O11S 987.5212 NA PeJP NA NA +PJ118061 VVKFFYW C54H69N9O9 987.5219 NA PeJP NA NA +PJ118062 SLLLEEER C42H73N11O16 987.5237 NA PeJP NA NA +PJ118063 PVLLEMMR C43H77N11O11S2 987.5246 NA PeJP NA NA +PJ118064 APTTTRRW C43H69N15O12 987.525 NA PeJP NA NA +PJ118065 VDKERRW C43H69N15O12 987.5251 NA PeJP NA NA +PJ118066 PPVVLMFW C51H73N9O9S 987.5252 NA PeJP NA NA +PJ118067 CNQRRRR C36H69N21O10S 987.5257 NA PeJP NA NA +PJ118068 GGCQRRRR C36H69N21O10S 987.5258 NA PeJP NA NA +PJ118069 VHHHFRR C44H65N19O8 987.5264 NA PeJP NA NA +PJ118070 SVLLLEEW C47H73N9O14 987.5277 NA PeJP NA NA +PJ118071 AAPVLLEEF C47H73N9O14 987.5278 NA PeJP NA NA +PJ118072 APTKEMRR C40H73N15O12S 987.5284 NA PeJP NA NA +PJ118073 GGGGGGVLKMR C40H73N15O12S 987.5285 NA PeJP NA NA +PJ118074 PVVLLMMW C48H77N9O9S2 987.5286 NA PeJP NA NA +PJ118075 ALKERWW C48H69N13O10 987.5291 NA PeJP NA NA +PJ118076 LLLLQEEM C44H77N9O14S 987.5311 NA PeJP NA NA +PJ118077 SEERRRR C37H69N19O13 987.5323 NA PeJP NA NA +PJ118078 ASPLKMRW C45H73N13O10S 987.5324 NA PeJP NA NA +PJ118079 GPTLKMRW C45H73N13O10S 987.5325 NA PeJP NA NA +PJ118080 GLLKWWW C53H69N11O8 987.5331 NA PeJP NA NA +PJ118081 SVLQKEER C41H73N13O15 987.5349 NA PeJP NA NA +PJ118082 GLKKEEER C41H73N13O15 987.535 NA PeJP NA NA +PJ118083 PPTKKMMR C42H77N13O10S2 987.5358 NA PeJP NA NA +PJ118084 SVERRRW C42H69N17O11 987.5363 NA PeJP NA NA +PJ118085 PLKKMWW C50H73N11O8S 987.5365 NA PeJP NA NA +PJ118086 GVLKKEEW C46H73N11O13 987.539 NA PeJP NA NA +PJ118087 LQEMRRR C39H73N17O11S 987.5397 NA PeJP NA NA +PJ118088 ATLRRWW C47H69N15O9 987.5403 NA PeJP NA NA +PJ118089 GSPVLKKEM C43H77N11O13S 987.5423 NA PeJP NA NA +PJ118090 VVLLEEMR C43H77N11O13S 987.5424 NA PeJP NA NA +PJ118091 SPPLLLYW C51H73N9O11 987.543 NA PeJP NA NA +PJ118092 GSSNRRRR C36H69N21O12 987.5435 NA PeJP NA NA +PJ118093 VLQMRRW C44H73N15O9S 987.5437 NA PeJP NA NA +PJ118094 GTLKEERR C40H73N15O14 987.5462 NA PeJP NA NA +PJ118095 ALLLLEMW C48H77N9O11S 987.5464 NA PeJP NA NA +PJ118096 GPLKMMRR C41H77N15O9S2 987.5471 NA PeJP NA NA +PJ118097 GPTKHHRR C41H69N19O10 987.5475 NA PeJP NA NA +PJ118098 GTTLLLLEE C44H77N9O16 987.5489 NA PeJP NA NA +PJ118099 GPTLLLLMM C45H81N9O11S2 987.5497 NA PeJP NA NA +PJ118100 LKKEERW C45H73N13O12 987.5502 NA PeJP NA NA +PJ118101 VDMRRRR C38H73N19O10S 987.5509 NA PeJP NA NA +PJ118102 PKKHHRW C46H69N17O8 987.5515 NA PeJP NA NA +PJ118103 APFRRRW C46H69N17O8 987.5516 NA PeJP NA NA +PJ118104 SPLKKEMR C42H77N13O12S 987.5536 NA PeJP NA NA +PJ118105 VLKKEWW C50H73N11O10 987.5542 NA PeJP NA NA +PJ118106 ALMRRRW C43H73N17O8S 987.5549 NA PeJP NA NA +PJ118107 GTTLERRR C39H73N17O13 987.5574 NA PeJP NA NA +PJ118108 SPVLKKMW C47H77N11O10S 987.5576 NA PeJP NA NA +PJ118109 VQHHRRR C40H69N21O9 987.5588 NA PeJP NA NA +PJ118110 VVKKKEEE C43H77N11O15 987.5601 NA PeJP NA NA +PJ118111 PLLQKKMM C44H81N11O10S2 987.561 NA PeJP NA NA +PJ118112 TLKERRW C44H73N15O11 987.5614 NA PeJP NA NA +PJ118113 GGKKKERW C44H73N15O11 987.5615 NA PeJP NA NA +PJ118114 CNKRRRR C37H73N21O9S 987.5621 NA PeJP NA NA +PJ118115 TTLLLLEW C48H77N9O13 987.5641 NA PeJP NA NA +PJ118116 GVLKEMRR C41H77N15O11S 987.5648 NA PeJP NA NA +PJ118117 SLLKRWW C49H73N13O9 987.5655 NA PeJP NA NA +PJ118118 LLLLKEEM C45H81N9O13S 987.5675 NA PeJP NA NA +PJ118119 GSTQKRRR C38H73N19O12 987.5687 NA PeJP NA NA +PJ118120 AALLKMRW C46H77N13O9S 987.5688 NA PeJP NA NA +PJ118121 AHHRRRR C39H69N23O8 987.57 NA PeJP NA NA +PJ118122 SVLKKEER C42H77N13O14 987.5713 NA PeJP NA NA +PJ118123 AAADKKKKE C42H77N13O14 987.5714 NA PeJP NA NA +PJ118124 PVVKKMMR C43H81N13O9S2 987.5722 NA PeJP NA NA +PJ118125 TTLRRRW C43H73N17O10 987.5727 NA PeJP NA NA +PJ118126 VTTILQKW C47H77N11O12 987.5753 NA PeJP NA NA +PJ118127 ATLLKKEW C47H77N11O12 987.5754 NA PeJP NA NA +PJ118128 GCLQKKRR C40H77N17O10S 987.576 NA PeJP NA NA +PJ118129 LKEMRRR C40H77N17O10S 987.5761 NA PeJP NA NA +PJ118130 GKKKRWW C48H73N15O8 987.5767 NA PeJP NA NA +PJ118131 TLLLLEMR C44H81N11O12S 987.5787 NA PeJP NA NA +PJ118132 APLLLLYW C52H77N9O10 987.5794 NA PeJP NA NA +PJ118133 VLKMRRW C45H77N15O8S 987.5801 NA PeJP NA NA +PJ118134 SSLLKERR C41H77N15O13 987.5826 NA PeJP NA NA +PJ118135 SLLLLLMW C49H81N9O10S 987.5828 NA PeJP NA NA +PJ118136 PTFRRRR C42H73N19O9 987.5839 NA PeJP NA NA +PJ118137 SSTIILLLE C45H81N9O15 987.5852 NA PeJP NA NA +PJ118138 SSTLLLLLE C45H81N9O15 987.5853 NA PeJP NA NA +PJ118139 AALLLLLMM C46H85N9O10S2 987.5861 NA PeJP NA NA +PJ118140 ATTLLKRW C46H77N13O11 987.5866 NA PeJP NA NA +PJ118141 TLMRRRR C39H77N19O9S 987.5873 NA PeJP NA NA +PJ118142 ALLKKEMR C43H81N13O11S 987.59 NA PeJP NA NA +PJ118143 GPLLKKFW C51H77N11O9 987.5906 NA PeJP NA NA +PJ118144 SSTLLRRR C40H77N17O12 987.5938 NA PeJP NA NA +PJ118145 GLLLKKMW C48H81N11O9S 987.594 NA PeJP NA NA +PJ118146 VKHHRRR C41H73N21O8 987.5951 NA PeJP NA NA +PJ118147 TLLKKKEE C44H81N11O14 987.5965 NA PeJP NA NA +PJ118148 VLLLLMMR C45H85N11O9S2 987.5974 NA PeJP NA NA +PJ118149 DKKKKRW C45H77N15O10 987.5978 NA PeJP NA NA +PJ118150 PLLLLKEY C49H81N9O12 987.6005 NA PeJP NA NA +PJ118151 ATLLKMRR C42H81N15O10S 987.6012 NA PeJP NA NA +PJ118152 ATTLLLLLM C46H85N9O12S 987.6039 NA PeJP NA NA +PJ118153 GSTKKRRR C39H77N19O11 987.605 NA PeJP NA NA +PJ118154 TTLLKKER C43H81N13O13 987.6077 NA PeJP NA NA +PJ118155 SKKKRRW C44H77N17O9 987.6091 NA PeJP NA NA +PJ118156 STLLLKKW C48H81N11O11 987.6117 NA PeJP NA NA +PJ118157 GGPLLLKKY C48H81N11O11 987.6118 NA PeJP NA NA +PJ118158 AAKKKMRR C41H81N17O9S 987.6124 NA PeJP NA NA +PJ118159 VLLKKKEM C45H85N11O11S 987.6151 NA PeJP NA NA +PJ118160 ALLLLLFW C53H81N9O9 987.6158 NA PeJP NA NA +PJ118161 VTTQKKKR C42H81N15O12 987.6189 NA PeJP NA NA +PJ118162 TTTLLKRR C42H81N15O12 987.619 NA PeJP NA NA +PJ118163 VVFRRRR C43H77N19O8 987.6203 NA PeJP NA NA +PJ118164 TTTTLLLLL C46H85N9O14 987.6216 NA PeJP NA NA +PJ118165 GTLKKKKW C47H81N13O10 987.623 NA PeJP NA NA +PJ118166 CLLQKKKK C44H85N13O10S 987.6263 NA PeJP NA NA +PJ118167 SLLLKKMR C44H85N13O10S 987.6264 NA PeJP NA NA +PJ118168 ATTKKKRR C41H81N17O11 987.6302 NA PeJP NA NA +PJ118169 SSSLLLLKK C45H85N11O13 987.6329 NA PeJP NA NA +PJ118170 GVLLKFRR C46H81N15O9 987.6342 NA PeJP NA NA +PJ118171 LLLLLLQY C50H85N9O11 987.6369 NA PeJP NA NA +PJ118172 GLKKKKMR C43H85N15O9S 987.6376 NA PeJP NA NA +PJ118173 SLKKKKKE C44H85N13O12 987.6441 NA PeJP NA NA +PJ118174 LLKFRRR C45H81N17O8 987.6455 NA PeJP NA NA +PJ118175 VVLLLLRY C49H85N11O10 987.6481 NA PeJP NA NA +PJ118176 STLKKKKR C43H85N15O11 987.6553 NA PeJP NA NA +PJ118177 ALLLKKFR C48H85N13O9 987.6594 NA PeJP NA NA +PJ118178 VVKKKKKM C45H89N13O9S 987.6627 NA PeJP NA NA +PJ118179 LLLLLLKY C51H89N9O10 987.6733 NA PeJP NA NA +PJ118180 VLLLKKKF C50H89N11O9 987.6845 NA PeJP NA NA +HMDB04841 Galabiosylceramide (d18:1/25:0) C55H105NO13 987.758606 NA HMDB2010 NA NA +HMDB04876 Lactosylceramide (d18:1/25:0) C55H105NO13 987.758606 NA HMDB2010 NA NA +HMDB04841 Galabiosylceramide (d18:1/25:0) C55H105NO13 987.75861 http://www.hmdb.ca/metabolites/HMDB04841 HMDB NA NA +HMDB04876 Lactosylceramide (d18:1/25:0) C55H105NO13 987.75861 http://www.hmdb.ca/metabolites/HMDB04876 HMDB NA NA +HMDB04841 Galabiosylceramide (d18:1/25:0) C55H105NO13 987.75861 HMDB04841 PFEM_hmdb_metabocards_official NA NA +HMDB04876 Lactosylceramide (d18:1/25:0) C55H105NO13 987.75861 HMDB04876 PFEM_hmdb_metabocards_official NA NA +PJ118181 SCCCCCCQH C32H52N12O12S6 988.2152 NA PeJP NA NA +PJ118182 SCCCNDDDD C32H48N10O20S3 988.2209 NA PeJP NA NA +PJ118183 PCCCCCNDE C33H52N10O15S5 988.2218 NA PeJP NA NA +PJ118184 CCCCCEYY C38H52N8O13S5 988.2258 NA PeJP NA NA +PJ118185 GSSSCCCCCH C32H52N12O14S5 988.233 NA PeJP NA NA +PJ118186 GPCCCCCDW C37H52N10O12S5 988.237 NA PeJP NA NA +PJ118187 GCCCNDDEM C33H52N10O17S4 988.2395 NA PeJP NA NA +PJ118188 GPPTCCCCCC C34H56N10O12S6 988.2404 NA PeJP NA NA +PJ118189 GCCCCCNHF C36H52N12O11S5 988.2483 NA PeJP NA NA +MJ099164 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-[4-hydroxycinnamoyl-(?6)]-?-D-glucopyranoside](E-), 5-O-(6-O-malonyl-?-D-glucopyranoside) C45H49O25(+) 988.248467 NA MeJP NA NA +MJ099165 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-[4-hydroxy-3-methoxycinnamoyl-(?6)]-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) C45H49O25(+) 988.248467 NA MeJP NA NA +PJ118190 SCCCCNNNE C32H52N12O16S4 988.2507 NA PeJP NA NA +PJ118191 GCCCCDDDR C32H52N12O16S4 988.2508 NA PeJP NA NA +PJ118192 SCCCCCCKH C33H56N12O11S6 988.2516 NA PeJP NA NA +PJ118193 CCCNDDMW C37H52N10O14S4 988.2548 NA PeJP NA NA +PJ118194 SSCCNDDDM C33H52N10O19S3 988.2573 NA PeJP NA NA +PJ118195 SPCCCCNEM C34H56N10O14S5 988.2581 NA PeJP NA NA +PJ118196 GGSPCCCCEM C34H56N10O14S5 988.2582 NA PeJP NA NA +PJ118197 CCCMMMMH C35H60N10O9S7 988.259 NA PeJP NA NA +PJ118198 CDDDDDEY C37H48N8O22S 988.2604 NA PeJP NA NA +PJ118199 TCCCCMYY C39H56N8O12S5 988.2622 NA PeJP NA NA +PJ118200 CDDDEMMM C35H56N8O17S4 988.2647 NA PeJP NA NA +PJ118201 GSCCCCNNW C36H52N12O13S4 988.266 NA PeJP NA NA +PJ118202 GSSSCCCNND C32H52N12O18S3 988.2685 NA PeJP NA NA +PJ118203 SPCCCCCDR C33H56N12O13S5 988.2694 NA PeJP NA NA +PJ118204 GCCCCEWW C41H52N10O11S4 988.27 NA PeJP NA NA +PJ118205 GSSCCCDEW C37H52N10O16S3 988.2725 NA PeJP NA NA +PJ118206 GSPCCCCMW C38H56N10O11S5 988.2734 NA PeJP NA NA +PJ118207 GSSSSCCDDE C33H52N10O21S2 988.275 NA PeJP NA NA +PJ118208 GSCCNDEMM C34H56N10O16S4 988.2759 NA PeJP NA NA +PJ118209 GCCCDYYY C42H52N8O14S3 988.2765 NA PeJP NA NA +PJ118210 GPCCCNMMM C35H60N10O11S6 988.2768 NA PeJP NA NA +PJ118211 CDDDDEMF C38H52N8O19S2 988.2791 NA PeJP NA NA +PJ118212 GCCCCCNQR C32H56N14O12S5 988.2806 NA PeJP NA NA +PJ118213 GCCCNNNDF C36H52N12O15S3 988.2838 NA PeJP NA NA +PJ118214 CCCCWWW C45H52N10O8S4 988.2853 NA PeJP NA NA +PJ118215 GSCCCDDMR C33H56N12O15S4 988.2871 NA PeJP NA NA +PJ118216 GGGGGGSTCCCM C33H56N12O15S4 988.2872 NA PeJP NA NA +PJ118217 SSCCCDWW C41H52N10O13S3 988.2878 NA PeJP NA NA +PJ118218 APCCCCCMR C34H60N12O10S6 988.288 NA PeJP NA NA +PJ118219 DDDDDEEH C36H48N10O23 988.2894 NA PeJP NA NA +PJ118220 SSSSCCDDW C37H52N10O18S2 988.2903 NA PeJP NA NA +PJ118221 SSPTCCCCW C38H56N10O13S4 988.2911 NA PeJP NA NA +PJ118222 SCCNDMMW C38H56N10O13S4 988.2912 NA PeJP NA NA +PJ118223 CCCCHHHF C39H52N14O9S4 988.2925 NA PeJP NA NA +PJ118224 SSSSSSCDDD C33H52N10O23S 988.2928 NA PeJP NA NA +PJ118225 SSSCNDDMM C34H56N10O18S3 988.2937 NA PeJP NA NA +PJ118226 CNNDMMMM C35H60N10O13S5 988.2945 NA PeJP NA NA +PJ118227 GSCCCNEHH C35H52N14O14S3 988.295 NA PeJP NA NA +PJ118228 GCCCMFYY C43H56N8O11S4 988.2952 NA PeJP NA NA +PJ118229 SDDDDEMY C38H52N8O21S 988.2968 NA PeJP NA NA +PJ118230 PCDDDMMY C39H56N8O16S3 988.2977 NA PeJP NA NA +PJ118231 SSCCCCNNR C32H56N14O14S4 988.2984 NA PeJP NA NA +PJ118232 GSNDDDDDH C35H48N12O22 988.3007 NA PeJP NA NA +PJ118233 SDDEMMMM C36H60N8O16S4 988.3011 NA PeJP NA NA +PJ118234 GSCCNNNDY C36H52N12O17S2 988.3015 NA PeJP NA NA +PJ118235 PCDMMMMM C37H64N8O11S6 988.3019 NA PeJP NA NA +PJ118236 SCCCCERW C37H56N12O12S4 988.3024 NA PeJP NA NA +PJ118237 SSSCCCDER C33H56N12O17S3 988.3049 NA PeJP NA NA +PJ118238 GCCNDEYW C41H52N10O15S2 988.3055 NA PeJP NA NA +PJ118239 GGGCCDEYW C41H52N10O15S2 988.3056 NA PeJP NA NA +PJ118240 CCCNEMMR C34H60N12O12S5 988.3058 NA PeJP NA NA +PJ118241 GTCCCMWW C42H56N10O10S4 988.3064 NA PeJP NA NA +PJ118242 GSSCNDDEY C37H52N10O20S 988.308 NA PeJP NA NA +PJ118243 GGGSSCDDEY C37H52N10O20S 988.3081 NA PeJP NA NA +PJ118244 GSSSCCEMW C38H56N10O15S3 988.3089 NA PeJP NA NA +PJ118245 GCCQMMMW C39H60N10O10S5 988.3098 NA PeJP NA NA +PJ118246 SCCCNHHW C39H52N14O11S3 988.3103 NA PeJP NA NA +PJ118247 GSSSSSCDEM C34H56N10O20S2 988.3114 NA PeJP NA NA +PJ118248 PCDDDDFY C42H52N8O18S 988.3121 NA PeJP NA NA +PJ118249 GSSCNEMMM C35H60N10O15S4 988.3123 NA PeJP NA NA +PJ118250 SSSCCNDHH C35H52N14O16S2 988.3128 NA PeJP NA NA +PJ118251 GSCCMYYY C43H56N8O13S3 988.3129 NA PeJP NA NA +PJ118252 APCCCCKMM C36H64N10O10S6 988.3132 NA PeJP NA NA +PJ118253 CCNNMMHH C36H56N14O11S4 988.3136 NA PeJP NA NA +PJ118254 GDDEEMMY C39H56N8O18S2 988.3154 NA PeJP NA NA +PJ118255 PCDDMMMF C40H60N8O13S4 988.3163 NA PeJP NA NA +PJ118256 PCCNDDHW C40H52N12O14S2 988.3168 NA PeJP NA NA +PJ118257 CCCCDMRR C33H60N14O11S5 988.317 NA PeJP NA NA +PJ118258 NNDDDEMH C36H52N12O19S 988.3193 NA PeJP NA NA +PJ118259 GEEMMMMM C37H64N8O13S5 988.3197 NA PeJP NA NA +PJ118260 CCNNNQMY C37H56N12O14S3 988.3201 NA PeJP NA NA +PJ118261 GGGGGGCCQMY C37H56N12O14S3 988.3202 NA PeJP NA NA +PJ118262 CCNDYWW C45H52N10O12S2 988.3208 NA PeJP NA NA +PJ118263 GCCCMMRW C38H60N12O9S5 988.321 NA PeJP NA NA +PJ118264 SSSSSSCCNQ C33H56N12O19S2 988.3226 NA PeJP NA NA +PJ118265 GGGGSSSSSTCC C33H56N12O19S2 988.3227 NA PeJP NA NA +PJ118266 SSCNDDYW C41H52N10O17S 988.3233 NA PeJP NA NA +PJ118267 GSSCCDMMR C34H60N12O14S4 988.3235 NA PeJP NA NA +PJ118268 GCCNNNNNH C34H52N16O15S2 988.324 NA PeJP NA NA +PJ118269 SSSCCMWW C42H56N10O12S3 988.3242 NA PeJP NA NA +PJ118270 CCCCQHHR C35H56N16O10S4 988.3249 NA PeJP NA NA +PJ118271 SSSSNDDDY C37H52N10O22 988.3258 NA PeJP NA NA +PJ118272 SSSSSCDMW C38H56N10O17S2 988.3267 NA PeJP NA NA +PJ118273 SSCNMMMW C39H60N10O12S4 988.3275 NA PeJP NA NA +PJ118274 GGGPVCCCMY C39H60N10O12S4 988.3276 NA PeJP NA NA +PJ118275 CCNNDHHF C39H52N14O13S2 988.328 NA PeJP NA NA +PJ118276 GCCCFFFY C47H56N8O10S3 988.3282 NA PeJP NA NA +PJ118277 SSSSSSSDDM C34H56N10O22S 988.3292 NA PeJP NA NA +PJ118278 SPDDDDYY C42H52N8O20 988.3298 NA PeJP NA NA +PJ118279 SSSSNDMMM C35H60N10O17S3 988.33 NA PeJP NA NA +PJ118280 CNDDDDHR C35H52N14O18S 988.3305 NA PeJP NA NA +PJ118281 DDEMMYW C43H56N8O15S2 988.3307 NA PeJP NA NA +PJ118282 SNNMMMMM C36H64N10O12S5 988.3309 NA PeJP NA NA +PJ118283 CCCNNNRY C36H56N14O13S3 988.3314 NA PeJP NA NA +PJ118284 SSDEEEMY C39H56N8O20S 988.3332 NA PeJP NA NA +PJ118285 SPDDMMMY C40H60N8O15S3 988.3341 NA PeJP NA NA +PJ118286 GNDDDMHW C40H52N12O16S 988.3345 NA PeJP NA NA +PJ118287 GGGDDDMHW C40H52N12O16S 988.3346 NA PeJP NA NA +PJ118288 EMMMMMW C41H64N8O10S5 988.3349 NA PeJP NA NA +PJ118289 GCCCDFRW C41H56N12O11S3 988.3354 NA PeJP NA NA +PJ118290 GSSNDDEEH C36H52N12O21 988.337 NA PeJP NA NA +PJ118291 GGGSSDDEEH C36H52N12O21 988.3371 NA PeJP NA NA +PJ118292 STEEMMMM C37H64N8O15S4 988.3374 NA PeJP NA NA +PJ118293 SCCNDERY C37H56N12O16S2 988.3379 NA PeJP NA NA +PJ118294 SPMMMMMM C38H68N8O10S6 988.3383 NA PeJP NA NA +PJ118295 STCCCMRW C38H60N12O11S4 988.3388 NA PeJP NA NA +PJ118296 SCCEHHHH C38H52N16O12S2 988.3393 NA PeJP NA NA +PJ118297 CCNMFWW C46H56N10O9S3 988.3394 NA PeJP NA NA +PJ118298 GSSSSSSSSCN C33H56N12O21S 988.3404 NA PeJP NA NA +PJ118299 GNNDDEYY C41H52N10O19 988.3411 NA PeJP NA NA +PJ118300 SSSSCCEMR C34H60N12O16S3 988.3413 NA PeJP NA NA +PJ118301 GSCNEMYW C42H56N10O14S2 988.3419 NA PeJP NA NA +PJ118302 SCCQMMMR C35H64N12O11S5 988.3421 NA PeJP NA NA +PJ118303 GGTCCMMMR C35H64N12O11S5 988.3422 NA PeJP NA NA +PJ118304 GSSCCCHHR C35H56N16O12S3 988.3426 NA PeJP NA NA +PJ118305 PCCCCKFW C43H60N10O9S4 988.3428 NA PeJP NA NA +PJ118306 GSSSNDEMY C38H56N10O19S 988.3444 NA PeJP NA NA +PJ118307 GGGPPDDDEM C38H56N10O19S 988.3445 NA PeJP NA NA +PJ118308 DDDEFYW C46H52N8O17 988.3451 NA PeJP NA NA +PJ118309 GSSSTCMMW C39H60N10O14S3 988.3453 NA PeJP NA NA +PJ118310 SCNNNDHW C39H52N14O15S 988.3458 NA PeJP NA NA +PJ118311 CCQFYYY C47H56N8O12S2 988.3459 NA PeJP NA NA +PJ118312 GCCKMMMW C40H64N10O9S5 988.3462 NA PeJP NA NA +PJ118313 GSSSSSSEMM C35H60N10O19S2 988.3478 NA PeJP NA NA +PJ118314 SSSNNNDDH C35H52N14O20 988.3483 NA PeJP NA NA +PJ118315 GPDDEMYY C43H56N8O17S 988.3485 NA PeJP NA NA +PJ118316 GSSSQMMMM C36H64N10O14S4 988.3487 NA PeJP NA NA +PJ118317 SSSSCNMHH C36H56N14O15S2 988.3491 NA PeJP NA NA +PJ118318 GSPCCDDHR C36H56N14O15S2 988.3492 NA PeJP NA NA +PJ118319 DEMMMFW C44H60N8O12S3 988.3493 NA PeJP NA NA +PJ118320 CNDEHWW C44H52N12O13S 988.3498 NA PeJP NA NA +PJ118321 APPCCCCHR C37H60N14O10S4 988.35 NA PeJP NA NA +PJ118322 GTEEEMMY C40H60N8O17S2 988.3518 NA PeJP NA NA +PJ118323 SSNDDEHW C40H52N12O18 988.3523 NA PeJP NA NA +PJ118324 GPEMMMMY C41H64N8O12S4 988.3527 NA PeJP NA NA +PJ118325 GSCCDRYW C41H56N12O13S2 988.3532 NA PeJP NA NA +PJ118326 SCCCMMRR C34H64N14O10S5 988.3534 NA PeJP NA NA +PJ118327 SSSSCNNQY C37H56N12O18S 988.3556 NA PeJP NA NA +PJ118328 GSSSCDDRY C37H56N12O18S 988.3557 NA PeJP NA NA +PJ118329 SVEMMMMM C38H68N8O12S5 988.3561 NA PeJP NA NA +PJ118330 NNDDYYW C45H52N10O16 988.3563 NA PeJP NA NA +PJ118331 GCNDMMRY C38H60N12O13S3 988.3565 NA PeJP NA NA +PJ118332 GGGGGGCCKMY C38H60N12O13S3 988.3566 NA PeJP NA NA +PJ118333 SCNMYWW C46H56N10O11S2 988.3572 NA PeJP NA NA +PJ118334 GCMMHHHH C39H56N16O9S3 988.3579 NA PeJP NA NA +PJ118335 SSSSSSCCNK C34H60N12O18S2 988.359 NA PeJP NA NA +PJ118336 GNNNNNNND C34H52N16O19 988.3595 NA PeJP NA NA +PJ118337 GGGGGGGGGGGGGGGD C34H52N16O19 988.3596 NA PeJP NA NA +PJ118338 SSSNDMYW C42H56N10O16S 988.3597 NA PeJP NA NA +PJ118339 GSSSCMMMR C35H64N12O13S4 988.3599 NA PeJP NA NA +PJ118340 CCNNNEHR C35H56N16O14S2 988.3604 NA PeJP NA NA +PJ118341 NNMMMYW C43H60N10O11S3 988.3605 NA PeJP NA NA +PJ118342 GGGGMMMYW C43H60N10O11S3 988.3606 NA PeJP NA NA +PJ118343 CCCCKHHR C36H60N16O9S4 988.3613 NA PeJP NA NA +PJ118344 SSSSSNEEY C38H56N10O21 988.3622 NA PeJP NA NA +PJ118345 SSSSSSMMW C39H60N10O16S2 988.363 NA PeJP NA NA +PJ118346 GGSSQEMMY C39H60N10O16S2 988.3631 NA PeJP NA NA +PJ118347 NNNNDDHF C39H52N14O17 988.3635 NA PeJP NA NA +PJ118348 GGGGGGNDDHF C39H52N14O17 988.3636 NA PeJP NA NA +PJ118349 PDDMYYW C47H56N8O14S 988.3637 NA PeJP NA NA +PJ118350 STCCKMMW C40H64N10O11S4 988.3639 NA PeJP NA NA +PJ118351 GCNNQMHW C40H56N14O12S2 988.3644 NA PeJP NA NA +PJ118352 GCDHWWW C48H52N12O10S 988.365 NA PeJP NA NA +PJ118353 SSSSSSSTEM C35H60N10O21S 988.3655 NA PeJP NA NA +PJ118354 QEEEEYY C43H56N8O19 988.3662 NA PeJP NA NA +PJ118355 SSSSTQMMM C36H64N10O16S3 988.3664 NA PeJP NA NA +PJ118356 SNDDDMHR C36H56N14O17S 988.3669 NA PeJP NA NA +PJ118357 TEEMMYW C44H60N8O14S2 988.3671 NA PeJP NA NA +PJ118358 SCQKMMMM C37H68N10O11S5 988.3673 NA PeJP NA NA +PJ118359 GSSDDHWW C44H52N12O15 988.3676 NA PeJP NA NA +PJ118360 GCCCERRY C37H60N14O12S3 988.3678 NA PeJP NA NA +PJ118361 PMMMMYW C45H64N8O9S4 988.3679 NA PeJP NA NA +PJ118362 CNNNNHHH C37H52N18O13S 988.3682 NA PeJP NA NA +PJ118363 GGGGGGCNHHH C37H52N18O13S 988.3683 NA PeJP NA NA +PJ118364 GPTCCHWW C45H56N12O10S2 988.3684 NA PeJP NA NA +PJ118365 STTEEEMY C40H60N8O19S 988.3696 NA PeJP NA NA +PJ118366 GVEEMMMY C41H64N8O14S3 988.3704 NA PeJP NA NA +PJ118367 AVDEMMMY C41H64N8O14S3 988.3705 NA PeJP NA NA +PJ118368 GSNEEMHW C41H56N12O15S 988.3709 NA PeJP NA NA +PJ118369 APMMMMMF C42H68N8O9S5 988.3713 NA PeJP NA NA +PJ118370 CCQMRYW C42H60N12O10S3 988.3718 NA PeJP NA NA +PJ118371 GCDHHHHF C42H52N16O11S 988.3723 NA PeJP NA NA +PJ118372 CCHFFFW C50H56N10O8S2 988.3724 NA PeJP NA NA +PJ118373 GSSSSSSNNY C37H56N12O20 988.3734 NA PeJP NA NA +PJ118374 GGGGGGGSPEEE C37H56N12O20 988.3735 NA PeJP NA NA +PJ118375 SSCNEMRY C38H60N12O15S2 988.3743 NA PeJP NA NA +PJ118376 ALMMMMMM C39H72N8O9S6 988.3747 NA PeJP NA NA +PJ118377 SNNDEHHH C38H52N16O16 988.3748 NA PeJP NA NA +PJ118378 GSSTCYWW C46H56N10O13S 988.3749 NA PeJP NA NA +PJ118379 APPCDDWW C46H56N10O13S 988.375 NA PeJP NA NA +PJ118380 GCNMMMFR C39H64N12O10S4 988.3752 NA PeJP NA NA +PJ118381 GCCNNHRW C39H56N16O11S2 988.3756 NA PeJP NA NA +PJ118382 GGGGGCCHRW C39H56N16O11S2 988.3757 NA PeJP NA NA +PJ118383 GSSSSSEYW C42H56N10O18 988.3774 NA PeJP NA NA +PJ118384 GPNEEEEW C42H56N10O18 988.3775 NA PeJP NA NA +PJ118385 SSSSTCMMR C35H64N12O15S3 988.3777 NA PeJP NA NA +PJ118386 GSSCNNDHR C35H56N16O16S 988.3781 NA PeJP NA NA +PJ118387 GGGGGSSCDHR C35H56N16O16S 988.3782 NA PeJP NA NA +PJ118388 GSSQMMYW C43H60N10O13S2 988.3783 NA PeJP NA NA +PJ118389 SCCKMMMR C36H68N12O10S5 988.3785 NA PeJP NA NA +PJ118390 DEEHHHW C43H52N14O14 988.3788 NA PeJP NA NA +PJ118391 PCCCDHRR C36H60N16O11S3 988.379 NA PeJP NA NA +PJ118392 GSSSTQEMY C39H60N10O18S 988.3808 NA PeJP NA NA +PJ118393 GSSSYYYY C47H56N8O16 988.3814 NA PeJP NA NA +PJ118394 AEEEYYW C47H56N8O16 988.3815 NA PeJP NA NA +PJ118395 EEMMMRY C40H64N10O13S3 988.3817 NA PeJP NA NA +PJ118396 SSNNNMHW C40H56N14O14S 988.3821 NA PeJP NA NA +PJ118397 GSCDEHRW C40H56N14O14S 988.3822 NA PeJP NA NA +PJ118398 PDMMFYW C48H60N8O11S2 988.3823 NA PeJP NA NA +PJ118399 CCCRRYW C41H60N14O9S3 988.383 NA PeJP NA NA +PJ118400 GSSSSTTTMM C36H64N10O18S2 988.3842 NA PeJP NA NA +PJ118401 SSSSSSSSHH C36H56N14O19 988.3846 NA PeJP NA NA +PJ118402 GSSSDDEHR C36H56N14O19 988.3847 NA PeJP NA NA +PJ118403 GPTEEMYY C44H60N8O16S 988.3848 NA PeJP NA NA +PJ118404 ASSTCKMMM C37H68N10O13S4 988.385 NA PeJP NA NA +PJ118405 GSSSKMMMM C37H68N10O13S4 988.3851 NA PeJP NA NA +PJ118406 SSCCDRRY C37H60N14O14S2 988.3855 NA PeJP NA NA +PJ118407 GGGGGPPCCER C37H60N14O14S2 988.3856 NA PeJP NA NA +PJ118408 VEMMMYW C45H64N8O11S3 988.3857 NA PeJP NA NA +PJ118409 SNEMHWW C45H56N12O12S 988.3862 NA PeJP NA NA +PJ118410 ACCCMFRR C38H64N14O9S4 988.3864 NA PeJP NA NA +PJ118411 PLDEEEEE C40H60N8O21 988.3873 NA PeJP NA NA +PJ118412 PVEEEEEE C40H60N8O21 988.3874 NA PeJP NA NA +PJ118413 SSLEEMMY C41H64N8O16S2 988.3882 NA PeJP NA NA +PJ118414 GPDDDERW C41H56N12O17 988.3887 NA PeJP NA NA +PJ118415 SPVMMMMY C42H68N8O11S4 988.3891 NA PeJP NA NA +PJ118416 GSSCMRYW C42H60N12O12S2 988.3895 NA PeJP NA NA +PJ118417 AANEMMHW C42H60N12O12S2 988.3896 NA PeJP NA NA +PJ118418 GSNDHHHW C42H52N16O13 988.39 NA PeJP NA NA +PJ118419 PPCDWWW C50H56N10O10S 988.3902 NA PeJP NA NA +PJ118420 GSSSSDMRY C38H60N12O17S 988.392 NA PeJP NA NA +PJ118421 GGGGSSSSCKY C38H60N12O17S 988.3921 NA PeJP NA NA +PJ118422 TTLMMMMM C39H72N8O11S5 988.3924 NA PeJP NA NA +PJ118423 SSSSSYWW C46H56N10O15 988.3927 NA PeJP NA NA +PJ118424 GSNMMMRY C39H64N12O12S3 988.3929 NA PeJP NA NA +PJ118425 GNQEMHHH C39H56N16O13S 988.3934 NA PeJP NA NA +PJ118426 TCCKYWW C47H60N10O10S2 988.3936 NA PeJP NA NA +PJ118427 NNNNNDER C35H56N16O18 988.3959 NA PeJP NA NA +PJ118428 SSSTQMYW C43H60N10O15S 988.3961 NA PeJP NA NA +PJ118429 SSCCCCKKK C36H68N12O12S4 988.3963 NA PeJP NA NA +PJ118430 PDDFFYW C51H56N8O13 988.3967 NA PeJP NA NA +PJ118431 GCDDMHRR C36H60N16O13S2 988.3968 NA PeJP NA NA +PJ118432 CQKMMYW C44H64N10O10S3 988.3969 NA PeJP NA NA +PJ118433 GAPPPCMMW C44H64N10O10S3 988.397 NA PeJP NA NA +PJ118434 SCDHRWW C44H56N14O11S 988.3974 NA PeJP NA NA +PJ118435 SSSSTTQEY C39H60N10O20 988.3985 NA PeJP NA NA +PJ118436 SSSSSDKEY C39H60N10O20 988.3986 NA PeJP NA NA +PJ118437 SSNKEMMY C40H64N10O15S2 988.3994 NA PeJP NA NA +PJ118438 ALEEEMMH C40H64N10O15S2 988.3995 NA PeJP NA NA +PJ118439 SSSDDHRW C40H56N14O16 988.3999 NA PeJP NA NA +PJ118440 GGGGGGGGGAAEW C40H56N14O16 988.4 NA PeJP NA NA +PJ118441 PTEMYYW C48H60N8O13S 988.4001 NA PeJP NA NA +PJ118442 GNKMMMMF C41H68N10O10S4 988.4003 NA PeJP NA NA +PJ118443 NDMMHRW C41H60N14O11S2 988.4008 NA PeJP NA NA +PJ118444 PMMMFFW C49H64N8O8S3 988.401 NA PeJP NA NA +PJ118445 GSMHWWW C49H56N12O9S 988.4014 NA PeJP NA NA +PJ118446 SSSSSTTTTM C36H64N10O20S 988.4019 NA PeJP NA NA +PJ118447 KEEEEYY C44H60N8O18 988.4026 NA PeJP NA NA +PJ118448 SSSSTKMMM C37H68N10O15S3 988.4028 NA PeJP NA NA +PJ118449 SSNEEMHR C37H60N14O16S 988.4033 NA PeJP NA NA +PJ118450 GPVEMMYY C45H64N8O13S2 988.4035 NA PeJP NA NA +PJ118451 SCKKMMMM C38H72N10O10S5 988.4037 NA PeJP NA NA +PJ118452 PDDDRWW C45H56N12O14 988.4039 NA PeJP NA NA +PJ118453 GGGGGSPEWW C45H56N12O14 988.404 NA PeJP NA NA +PJ118454 GTCCMRRY C38H64N14O11S3 988.4041 NA PeJP NA NA +PJ118455 ASCCMRRY C38H64N14O11S3 988.4042 NA PeJP NA NA +PJ118456 LMMMMFW C46H68N8O8S4 988.4043 NA PeJP NA NA +PJ118457 GCNEHHHR C38H56N18O12S 988.4046 NA PeJP NA NA +PJ118458 AQMMHWW C46H60N12O9S2 988.4048 NA PeJP NA NA +PJ118459 ATLEMMMY C42H68N8O13S3 988.4068 NA PeJP NA NA +PJ118460 SSSTCRYW C42H60N12O14S 988.4073 NA PeJP NA NA +PJ118461 GSQYYWW C50H56N10O12 988.4079 NA PeJP NA NA +PJ118462 GPEEWWW C50H56N10O12 988.408 NA PeJP NA NA +PJ118463 CCKMRYW C43H64N12O9S3 988.4082 NA PeJP NA NA +PJ118464 NQMHHHW C43H56N16O10S 988.4086 NA PeJP NA NA +PJ118465 GGQMHHHW C43H56N16O10S 988.4087 NA PeJP NA NA +PJ118466 SSSSSSERY C38H60N12O19 988.4098 NA PeJP NA NA +PJ118467 SSSQMMRY C39H64N12O14S2 988.4107 NA PeJP NA NA +PJ118468 GNNNNDRW C39H56N16O15 988.4111 NA PeJP NA NA +PJ118469 GGGNNNDRW C39H56N16O15 988.4112 NA PeJP NA NA +PJ118470 GSPPEMWW C47H60N10O12S 988.4113 NA PeJP NA NA +PJ118471 ACCKMMFR C40H68N12O9S4 988.4116 NA PeJP NA NA +PJ118472 CCEHRRW C40H60N16O10S2 988.412 NA PeJP NA NA +PJ118473 GNNHHHHH C40H52N20O11 988.4125 NA PeJP NA NA +PJ118474 GSSSTTTYW C43H60N10O17 988.4138 NA PeJP NA NA +PJ118475 GGGAPPEEEF C43H60N10O17 988.4139 NA PeJP NA NA +PJ118476 SSCDEHRR C36H60N16O15S 988.4145 NA PeJP NA NA +PJ118477 GGGGGGGGGPTCR C36H60N16O15S 988.4146 NA PeJP NA NA +PJ118478 GSSKMMYW C44H64N10O12S2 988.4147 NA PeJP NA NA +PJ118479 NNNQQWW C44H56N14O13 988.4152 NA PeJP NA NA +PJ118480 PDMFFFW C52H60N8O10S 988.4154 NA PeJP NA NA +PJ118481 ACMHRWW C45H60N14O8S2 988.416 NA PeJP NA NA +PJ118482 GSSSTKEMY C40H64N10O17S 988.4172 NA PeJP NA NA +PJ118483 SLEEYYW C48H60N8O15 988.4178 NA PeJP NA NA +MJ099166 Phenylalanyltyrosylglutamylglycylaspartylvalylprolyltyrosine C48H60N8O15 988.417813 NA MeJP NA NA +PJ118484 AAPEEFYY C48H60N8O15 988.4179 NA PeJP NA NA +PJ118485 GTQKMMMY C41H68N10O12S3 988.4181 NA PeJP NA NA +PJ118486 GSSEMHRW C41H60N14O13S 988.4185 NA PeJP NA NA +PJ118487 GGGPNDMRW C41H60N14O13S 988.4186 NA PeJP NA NA +PJ118488 PVMMYYW C49H64N8O10S2 988.4187 NA PeJP NA NA +PJ118489 SSTHWWW C49H56N12O11 988.4192 NA PeJP NA NA +PJ118490 MMMHHFR C42H64N14O8S3 988.4194 NA PeJP NA NA +PJ118491 CNHHHRW C42H56N18O9S 988.4199 NA PeJP NA NA +PJ118492 GSSSTEEHR C37H60N14O18 988.421 NA PeJP NA NA +PJ118493 SPDDDERR C37H60N14O18 988.4211 NA PeJP NA NA +PJ118494 AALEEMYY C45H64N8O15S 988.4212 NA PeJP NA NA +PJ118495 SSSCMRRY C38H64N14O13S2 988.4219 NA PeJP NA NA +PJ118496 GPLMMMFY C46H68N8O10S3 988.4221 NA PeJP NA NA +PJ118497 SSNDHHHR C38H56N18O14 988.4224 NA PeJP NA NA +PJ118498 ACQRYYW C46H60N12O11S 988.4225 NA PeJP NA NA +PJ118499 SDKMHWW C46H60N12O11S 988.4226 NA PeJP NA NA +PJ118500 PEWWWW C54H56N10O9 988.4232 NA PeJP NA NA +PJ118501 TTTLEMMY C42H68N8O15S2 988.4246 NA PeJP NA NA +PJ118502 SSNNNKYY C42H60N12O16 988.425 NA PeJP NA NA +PJ118503 GSPEEERW C42H60N12O16 988.4251 NA PeJP NA NA +PJ118504 GLLMMMMY C43H72N8O10S4 988.4255 NA PeJP NA NA +PJ118505 GPPDMMRW C43H64N12O11S2 988.4259 NA PeJP NA NA +PJ118506 GGGGPPCKMW C43H64N12O11S2 988.426 NA PeJP NA NA +PJ118507 GSTQHHHW C43H56N16O12 988.4264 NA PeJP NA NA +PJ118508 SPPMWWW C51H60N10O9S 988.4266 NA PeJP NA NA +PJ118509 GSSSTTMRY C39H64N12O16S 988.4284 NA PeJP NA NA +PJ118510 GAAPEEEMR C39H64N12O16S 988.4285 NA PeJP NA NA +PJ118511 PDKEEWW C47H60N10O14 988.4291 NA PeJP NA NA +PJ118512 GTCKMMRY C40H68N12O11S3 988.4293 NA PeJP NA NA +PJ118513 GNNNMHFR C40H60N16O12S 988.4298 NA PeJP NA NA +PJ118514 AAPPMMWW C48H64N10O9S2 988.43 NA PeJP NA NA +PJ118515 PEHHHFW C48H56N14O10 988.4304 NA PeJP NA NA +PJ118516 GNNDEERR C36H60N16O17 988.4323 NA PeJP NA NA +PJ118517 SSSTKMYW C44H64N10O14S 988.4324 NA PeJP NA NA +PJ118518 GPLQEEMW C44H64N10O14S 988.4325 NA PeJP NA NA +PJ118519 PPTYYYW C52H60N8O12 988.4331 NA PeJP NA NA +PJ118520 GSDMMHRR C37H64N16O12S2 988.4332 NA PeJP NA NA +PJ118521 CKKMMYW C45H68N10O9S3 988.4333 NA PeJP NA NA +PJ118522 SSMHRWW C45H60N14O10S 988.4338 NA PeJP NA NA +PJ118523 QHFWWW C53H56N12O8 988.4344 NA PeJP NA NA +PJ118524 GAHFWWW C53H56N12O8 988.4345 NA PeJP NA NA +PJ118525 SSSSTTKEY C40H64N10O19 988.4349 NA PeJP NA NA +PJ118526 PTQKEEEE C40H64N10O19 988.435 NA PeJP NA NA +PJ118527 SSDKKMMY C41H68N10O14S2 988.4358 NA PeJP NA NA +PJ118528 SSSTEHRW C41H60N14O15 988.4363 NA PeJP NA NA +PJ118529 VVEMYYW C49H64N8O12S 988.4365 NA PeJP NA NA +PJ118530 ACKKMMMF C42H72N10O9S4 988.4367 NA PeJP NA NA +PJ118531 TQMMHRW C42H64N14O10S2 988.4372 NA PeJP NA NA +PJ118532 SPTHHHHH C42H56N18O11 988.4376 NA PeJP NA NA +PJ118533 GVEHHHHH C42H56N18O11 988.4377 NA PeJP NA NA +PJ118534 CLHHFFW C50H60N12O8S 988.4378 NA PeJP NA NA +PJ118535 ATTLEEYY C45H64N8O17 988.439 NA PeJP NA NA +PJ118536 GPDEEMRR C38H64N14O15S 988.4397 NA PeJP NA NA +PJ118537 APTLMMYY C46H68N8O12S2 988.4398 NA PeJP NA NA +PJ118538 GVLEMMFY C46H68N8O12S2 988.4399 NA PeJP NA NA +PJ118539 SPEERWW C46H60N12O13 988.4403 NA PeJP NA NA +PJ118540 GVQMMMHR C39H68N14O10S3 988.4405 NA PeJP NA NA +PJ118541 GGGLMMMHR C39H68N14O10S3 988.4406 NA PeJP NA NA +PJ118542 GSQMHHHR C39H60N18O11S 988.441 NA PeJP NA NA +PJ118543 AKMMHWW C47H64N12O8S2 988.4412 NA PeJP NA NA +PJ118544 QHHHHFF C47H56N16O9 988.4417 NA PeJP NA NA +PJ118545 PLLEEEEM C42H68N8O17S 988.4424 NA PeJP NA NA +PJ118546 STLLMMMY C43H72N8O12S3 988.4432 NA PeJP NA NA +PJ118547 SNNNNDRR C35H60N18O16 988.4435 NA PeJP NA NA +PJ118548 AAPEEMRW C43H64N12O13S 988.4437 NA PeJP NA NA +PJ118549 SPVEWWW C51H60N10O11 988.4443 NA PeJP NA NA +PJ118550 GAPPEFWW C51H60N10O11 988.4444 NA PeJP NA NA +PJ118551 GPPCHHRW C44H60N16O9S 988.445 NA PeJP NA NA +PJ118552 SSSSTTTRY C39H64N12O18 988.4462 NA PeJP NA NA +PJ118553 SSSKMMRY C40H68N12O13S2 988.447 NA PeJP NA NA +PJ118554 STTCKMRY C40H68N12O13S2 988.4471 NA PeJP NA NA +PJ118555 NNDERRW C40H60N16O14 988.4475 NA PeJP NA NA +PJ118556 GGGGDERRW C40H60N16O14 988.4476 NA PeJP NA NA +PJ118557 PLQEMWW C48H64N10O11S 988.4477 NA PeJP NA NA +PJ118558 TCMHRRW C41H64N16O9S2 988.4484 NA PeJP NA NA +PJ118559 EHHHHHR C41H56N20O10 988.4489 NA PeJP NA NA +PJ118560 APTKEEEW C44H64N10O16 988.4502 NA PeJP NA NA +PJ118561 SSSEMHRR C37H64N16O14S 988.4509 NA PeJP NA NA +PJ118562 APPKEMMW C45H68N10O11S2 988.4511 NA PeJP NA NA +PJ118563 ANQERWW C45H60N14O12 988.4515 NA PeJP NA NA +MJ099167 2,3,23-Trihydroxy-11-oxo-12-oleanene-28,30-dioic acid, 28-O-?-D-Glucopyranoside, 3-O-[?-D-glucopyranosyl(1?4)-?-D-xylopyranoside] C47H72O22 988.451523 NA MeJP NA NA +PJ118564 GQQERWW C45H60N14O12 988.4516 NA PeJP NA NA +PJ118565 PVMFFYW C53H64N8O9S 988.4517 NA PeJP NA NA +PJ118566 QMMMHRR C38H68N16O9S3 988.4518 NA PeJP NA NA +PJ118567 GSCHHHRR C38H60N20O10S 988.4523 NA PeJP NA NA +PJ118568 VHHHHHW C46H56N18O8 988.4529 NA PeJP NA NA +PJ118569 SSSSSLKMY C41H68N10O16S 988.4536 NA PeJP NA NA +PJ118570 AAPLEYYY C49H64N8O14 988.4542 NA PeJP NA NA +PJ118571 ASKKMMMY C42H72N10O11S3 988.4544 NA PeJP NA NA +PJ118572 GTKKMMMY C42H72N10O11S3 988.4545 NA PeJP NA NA +PJ118573 PDEMRRW C42H64N14O12S 988.4549 NA PeJP NA NA +PJ118574 GGGGGGPPMFR C42H64N14O12S 988.455 NA PeJP NA NA +PJ118575 VLMMFYW C50H68N8O9S2 988.4551 NA PeJP NA NA +PJ118576 GVQQWWW C50H60N12O10 988.4556 NA PeJP NA NA +PJ118577 AAEEEERR C38H64N14O17 988.4574 NA PeJP NA NA +PJ118578 GGGGAKEEER C38H64N14O17 988.4575 NA PeJP NA NA +PJ118579 GTLLEMYY C46H68N8O14S 988.4576 NA PeJP NA NA +PJ118580 SPPDMMRR C39H68N14O12S2 988.4583 NA PeJP NA NA +PJ118581 GLLMMMFF C47H72N8O9S3 988.4585 NA PeJP NA NA +PJ118582 GPDDHHRR C39H60N18O13 988.4588 NA PeJP NA NA +PJ118583 TTKMHWW C47H64N12O10S 988.4589 NA PeJP NA NA +PJ118584 PVDMRWW C47H64N12O10S 988.459 NA PeJP NA NA +PJ118585 APPFWWW C55H60N10O8 988.4596 NA PeJP NA NA +PJ118586 VLLEEEEE C42H68N8O19 988.4601 NA PeJP NA NA +PJ118587 LQEEERW C43H64N12O15 988.4614 NA PeJP NA NA +PJ118588 GALEEERW C43H64N12O15 988.4615 NA PeJP NA NA +PJ118589 GNNNQMRR C36H64N18O13S 988.4621 NA PeJP NA NA +PJ118590 GGGGGNQMRR C36H64N18O13S 988.4622 NA PeJP NA NA +PJ118591 APPTMMRW C44H68N12O10S2 988.4623 NA PeJP NA NA +PJ118592 GNDRRWW C44H60N16O11 988.4628 NA PeJP NA NA +PJ118593 APLMWWW C52H64N10O8S 988.463 NA PeJP NA NA +PJ118594 APKEEEMR C40H68N12O15S 988.4648 NA PeJP NA NA +PJ118595 GGGGGGAALLEM C40H68N12O15S 988.4649 NA PeJP NA NA +PJ118596 VLQEEWW C48H64N10O13 988.4655 NA PeJP NA NA +PJ118597 PPVQMMMR C41H72N12O10S3 988.4657 NA PeJP NA NA +PJ118598 GSPCQRRW C41H64N16O11S 988.4662 NA PeJP NA NA +PJ118599 CKKMFFW C49H68N10O8S2 988.4663 NA PeJP NA NA +PJ118600 QQRWWW C49H60N14O9 988.4668 NA PeJP NA NA +PJ118601 SSQQQQQR C37H64N16O16 988.4686 NA PeJP NA NA +PJ118602 DEEERRR C37H64N16O16 988.4687 NA PeJP NA NA +PJ118603 APVKEEMW C45H68N10O13S 988.4688 NA PeJP NA NA +PJ118604 GPLKEEMW C45H68N10O13S 988.4689 NA PeJP NA NA +PJ118605 PVVYYYW C53H64N8O11 988.4695 NA PeJP NA NA +PJ118606 GGGGAPMMRR C38H68N16O11S2 988.4696 NA PeJP NA NA +PJ118607 PCNKRWW C46H64N14O9S 988.4702 NA PeJP NA NA +PJ118608 KHFWWW C54H60N12O7 988.4708 NA PeJP NA NA +PJ118609 SSTTTTTKY C41H68N10O18 988.4713 NA PeJP NA NA +PJ118610 PTKKEEEE C41H68N10O18 988.4714 NA PeJP NA NA +PJ118611 STTKKMMY C42H72N10O13S2 988.4722 NA PeJP NA NA +PJ118612 VDEERRW C42H64N14O14 988.4727 NA PeJP NA NA +PJ118613 TLLMYYW C50H68N8O11S 988.4729 NA PeJP NA NA +PJ118614 GCNNNRRR C35H64N20O12S 988.4734 NA PeJP NA NA +PJ118615 TKMMHRW C43H68N14O9S2 988.4736 NA PeJP NA NA +PJ118616 QQHHHFR C43H60N18O10 988.474 NA PeJP NA NA +PJ118617 STTLLEYY C46H68N8O16 988.4754 NA PeJP NA NA +PJ118618 STTKEMHR C39H68N14O14S 988.476 NA PeJP NA NA +PJ118619 APTEEMRR C39H68N14O14S 988.4761 NA PeJP NA NA +PJ118620 GVLLMMYY C47H72N8O11S2 988.4762 NA PeJP NA NA +PJ118621 ALEERWW C47H64N12O12 988.4767 NA PeJP NA NA +PJ118622 APPMMMRR C40H72N14O9S3 988.4769 NA PeJP NA NA +PJ118623 CDHFRRR C40H64N18O10S 988.4774 NA PeJP NA NA +PJ118624 APHHRWW C48H60N16O8 988.4781 NA PeJP NA NA +PJ118625 GSNDERRR C36H64N18O15 988.4799 NA PeJP NA NA +PJ118626 GPTLEMRW C44H68N12O12S 988.4801 NA PeJP NA NA +PJ118627 GLLEWWW C52H64N10O10 988.4807 NA PeJP NA NA +PJ118628 GPCNMRRR C37H68N18O10S2 988.4808 NA PeJP NA NA +PJ118629 GMHFRRW C45H64N16O8S 988.4814 NA PeJP NA NA +PJ118630 GLKEEEER C40H68N12O17 988.4826 NA PeJP NA NA +PJ118631 SSPPVCLMR C41H72N12O12S2 988.4834 NA PeJP NA NA +PJ118632 PPTKEMMR C41H72N12O12S2 988.4835 NA PeJP NA NA +PJ118633 SQQERRW C41H64N16O13 988.4839 NA PeJP NA NA +PJ118634 GGGGGGGALLHH C41H64N16O13 988.484 NA PeJP NA NA +PJ118635 PLKEMWW C49H68N10O10S 988.4841 NA PeJP NA NA +PJ118636 PVFFFFW C57H64N8O8 988.4848 NA PeJP NA NA +PJ118637 GVLKEEEW C45H68N10O15 988.4866 NA PeJP NA NA +PJ118638 STTTMHRR C38H68N16O13S 988.4873 NA PeJP NA NA +PJ118639 SPPLKMMW C46H72N10O10S2 988.4875 NA PeJP NA NA +C08959 Medicagenic acid 3-O-triglucoside C48H76O21 988.4879 NA KEGG NA NA +PJ118640 GQKERWW C46H64N14O11 988.4879 NA PeJP NA NA +MJ099168 1,3,22-Trihydroxyergosta-5,24-dien-26-oic acid, 3-O-?-D-Glucopyranoside, 26-O-[?-D-glucopyranosyl-(1?2)-6-acetyl-?-D-glucopyranosyl] ester C48H76O21 988.487909 NA MeJP NA NA +MJ099169 2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester C48H76O21 988.487909 NA MeJP NA NA +MJ099170 2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside], 28-?-D-glucopyranosyl ester, 30-Me ester C48H76O21 988.487909 NA MeJP NA NA +MJ099171 2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C48H76O21 988.487909 NA MeJP NA NA +MJ099172 2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] C48H76O21 988.487909 NA MeJP NA NA +MJ099173 3,21,22,24-Tetrahydroxy-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] C48H76O21 988.487909 NA MeJP NA NA +MJ099174 3,23,29-Trihydroxy-12-oleanen-28-oic acid, 23-Carboxylic acid, 28-[?-D-glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranosyl] ester C48H76O21 988.487909 NA MeJP NA NA +PJ118641 GGAKERWW C46H64N14O11 988.488 NA PeJP NA NA +PJ118642 VLMFFFW C54H68N8O8S 988.4881 NA PeJP NA NA +PJ118643 KMMMHRR C39H72N16O8S3 988.4882 NA PeJP NA NA +PJ118644 PVKKEEEM C42H72N10O15S 988.49 NA PeJP NA NA +PJ118645 GPTLLYYY C50H68N8O13 988.4906 NA PeJP NA NA +PJ118646 TLLLMMMH C43H76N10O10S3 988.4908 NA PeJP NA NA +PJ118647 AAPPLKMMM C43H76N10O10S3 988.4909 NA PeJP NA NA +PJ118648 GSPQKMRW C43H68N14O11S 988.4913 NA PeJP NA NA +PJ118649 GVQKWWW C51H64N12O9 988.492 NA PeJP NA NA +PJ118650 GTLEEERR C39H68N14O16 988.4938 NA PeJP NA NA +PJ118651 SSLLLMYY C47H72N8O13S 988.494 NA PeJP NA NA +PJ118652 GPLEMMRR C40H72N14O11S2 988.4947 NA PeJP NA NA +PJ118653 SNDRRRW C40H64N18O12 988.4952 NA PeJP NA NA +PJ118654 PTLMRWW C48H68N12O9S 988.4953 NA PeJP NA NA +PJ118655 LLWWWW C56H64N10O7 988.496 NA PeJP NA NA +PJ118656 LKEEERW C44H68N12O14 988.4978 NA PeJP NA NA +PJ118657 GGGAATLKEW C44H68N12O14 988.4979 NA PeJP NA NA +PJ118658 NQEMRRR C37H68N18O12S 988.4985 NA PeJP NA NA +PJ118659 GGGGGGGKMRR C37H68N18O12S 988.4986 NA PeJP NA NA +PJ118660 GPVLMMRW C45H72N12O9S2 988.4987 NA PeJP NA NA +PJ118661 GTQRRWW C45H64N16O10 988.4992 NA PeJP NA NA +PJ118662 SPLKEEMR C41H72N12O14S 988.5012 NA PeJP NA NA +PJ118663 SSPTLLWW C49H68N10O12 988.5018 NA PeJP NA NA +PJ118664 VLKEEWW C49H68N10O12 988.5019 NA PeJP NA NA +PJ118665 PPVKMMMR C42H76N12O9S3 988.5021 NA PeJP NA NA +PJ118666 VNQMRRW C42H68N16O10S 988.5025 NA PeJP NA NA +PJ118667 GGVQMRRW C42H68N16O10S 988.5026 NA PeJP NA NA +MJ099175 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl, 20-Ac, 3-glycoside C52H76O18 988.503165 NA MeJP NA NA +PJ118668 QKRWWW C50H64N14O8 988.5032 NA PeJP NA NA +PJ118669 ASNKEERR C38H68N16O15 988.505 NA PeJP NA NA +PJ118670 GSQKEERR C38H68N16O15 988.5051 NA PeJP NA NA +PJ118671 SPVLKEMW C46H72N10O12S 988.5052 NA PeJP NA NA +PJ118672 VVLFYYW C54H68N8O10 988.5059 NA PeJP NA NA +PJ118673 QQQHHRR C39H64N20O11 988.5064 NA PeJP NA NA +PJ118674 PPMFRRW C47H68N14O8S 988.5066 NA PeJP NA NA +PJ118675 VVKKEEEE C42H72N10O17 988.5077 NA PeJP NA NA +2946 NA FGGFTGARRPKLKWDNQ 988.50785 MH2+ Inhouse_peptide NA peptide +PJ118676 PLLQKEMM C43H76N10O12S2 988.5086 NA PeJP NA NA +PJ118677 TLEERRW C43H68N14O13 988.5091 NA PeJP NA NA +PJ118678 GVLLMFFY C51H72N8O10S 988.5093 NA PeJP NA NA +PJ118679 CNERRRR C36H68N20O11S 988.5098 NA PeJP NA NA +PJ118680 PLMMRRW C44H72N14O8S2 988.5099 NA PeJP NA NA +PJ118681 PTHHRRW C44H64N18O9 988.5104 NA PeJP NA NA +PJ118682 PLLLEEEF C47H72N8O15 988.5118 NA PeJP NA NA +PJ118683 SPTLEMRR C40H72N14O13S 988.5124 NA PeJP NA NA +PJ118684 GVLEEMRR C40H72N14O13S 988.5125 NA PeJP NA NA +PJ118685 SLLERWW C48H68N12O11 988.5131 NA PeJP NA NA +PJ118686 GQMRRRW C41H68N18O9S 988.5138 NA PeJP NA NA +PJ118687 LLLLEEEM C44H76N8O15S 988.5151 NA PeJP NA NA +PJ118688 GSTQERRR C37H68N18O14 988.5163 NA PeJP NA NA +PJ118689 AALLEMRW C45H72N12O11S 988.5165 NA PeJP NA NA +PJ118690 SVLLWWW C53H68N10O9 988.5171 NA PeJP NA NA +PJ118691 APCCKRRR C38H72N18O9S2 988.5172 NA PeJP NA NA +PJ118692 NNHHRRR C38H64N22O10 988.5176 NA PeJP NA NA +PJ118693 VTTTTTTKH C41H72N12O16 988.5189 NA PeJP NA NA +PJ118694 SVLKEEER C41H72N12O16 988.519 NA PeJP NA NA +PJ118695 PVVKEMMR C42H76N12O11S2 988.5198 NA PeJP NA NA +PJ118696 GGGAPLKKMM C42H76N12O11S2 988.5199 NA PeJP NA NA +PJ118697 SQKERRW C42H68N16O12 988.5203 NA PeJP NA NA +PJ118698 LLLQMWW C50H72N10O9S 988.5205 NA PeJP NA NA +PJ118699 ATLLKEEW C46H72N10O14 988.523 NA PeJP NA NA +PJ118700 LEEMRRR C39H72N16O12S 988.5237 NA PeJP NA NA +PJ118701 APLLKMMW C47H76N10O9S2 988.5239 NA PeJP NA NA +MJ099176 20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2-O-Acetyl-?-D-xylopyranoside), 6,25-di-O-?-D-glucopyranoside C49H80O20 988.524295 NA MeJP NA NA +PJ118702 GKKERWW C47H68N14O10 988.5243 NA PeJP NA NA +PJ118703 GCRRRRW C40H68N20O8S 988.525 NA PeJP NA NA +PJ118704 PTTTCLLLQ C43H76N10O14S 988.5263 NA PeJP NA NA +PJ118705 VLLQKEEM C43H76N10O14S 988.5264 NA PeJP NA NA +PJ118706 AALLLYYY C51H72N8O12 988.527 NA PeJP NA NA +PJ118707 GSSDRRRR C36H68N20O13 988.5275 NA PeJP NA NA +PJ118708 VLEMRRW C44H72N14O10S 988.5277 NA PeJP NA NA +PJ118709 GVKKWWW C52H68N12O8 988.5284 NA PeJP NA NA +PJ118710 SSLLEERR C40H72N14O15 988.5302 NA PeJP NA NA +PJ118711 SPVLMMRR C41H76N14O10S2 988.5311 NA PeJP NA NA +PJ118712 STQRRRW C41H68N18O11 988.5315 NA PeJP NA NA +PJ118713 GGGAPRRRY C41H68N18O11 988.5316 NA PeJP NA NA +PJ118714 VVLMRWW C49H72N12O8S 988.5317 NA PeJP NA NA +PJ118715 ATTLLERW C45H72N12O13 988.5342 NA PeJP NA NA +PJ118716 GGGGGGAALLLF C45H72N12O13 988.5343 NA PeJP NA NA +PJ118717 NKEMRRR C38H72N18O11S 988.5349 NA PeJP NA NA +PJ118718 GTKRRWW C46H68N16O9 988.5356 NA PeJP NA NA +PJ118719 ALLKEEMR C42H76N12O13S 988.5376 NA PeJP NA NA +PJ118720 GTTLLLWW C50H72N10O11 988.5382 NA PeJP NA NA +PJ118721 GGAPLLLYW C50H72N10O11 988.5383 NA PeJP NA NA +PJ118722 VNKMRRW C43H72N16O9S 988.5389 NA PeJP NA NA +PJ118723 KKRWWW C51H68N14O7 988.5396 NA PeJP NA NA +PJ118724 GSKKEERR C39H72N16O14 988.5414 NA PeJP NA NA +PJ118725 GGGGSDKKKR C39H72N16O14 988.5415 NA PeJP NA NA +PJ118726 GLLLKEMW C47H76N10O11S 988.5416 NA PeJP NA NA +PJ118727 APCKKMRR C40H76N16O9S2 988.5423 NA PeJP NA NA +PJ118728 VEHHRRR C40H68N20O10 988.5428 NA PeJP NA NA +PJ118729 TLLKKEEE C43H76N10O16 988.5441 NA PeJP NA NA +PJ118730 PLLKKEMM C44H80N10O11S2 988.545 NA PeJP NA NA +PJ118731 SSPTKKRW C44H72N14O12 988.5454 NA PeJP NA NA +PJ118732 DKKKERW C44H72N14O12 988.5455 NA PeJP NA NA +PJ118733 SQMRRRR C37H72N20O10S 988.5461 NA PeJP NA NA +PJ118734 GGTMRRRR C37H72N20O10S 988.5462 NA PeJP NA NA +PJ118735 VVHHRRW C45H68N18O8 988.5468 NA PeJP NA NA +PJ118736 PLLLLEEY C48H76N8O14 988.5481 NA PeJP NA NA +PJ118737 ATLLEMRR C41H76N14O12S 988.5488 NA PeJP NA NA +PJ118738 GGGGGVVCKKK C41H76N14O12S 988.5489 NA PeJP NA NA +PJ118739 VDKKKWW C49H72N12O10 988.5495 NA PeJP NA NA +PJ118740 GKMRRRW C42H72N18O8S 988.5502 NA PeJP NA NA +PJ118741 GSTKERRR C38H72N18O13 988.5527 NA PeJP NA NA +PJ118742 GTLLLMRW C46H76N12O10S 988.5529 NA PeJP NA NA +PJ118743 PLLKFWW C54H72N10O8 988.5535 NA PeJP NA NA +PJ118744 ASSTLLLER C42H76N12O15 988.5553 NA PeJP NA NA +PJ118745 TTLLKEER C42H76N12O15 988.5554 NA PeJP NA NA +PJ118746 PTLLKMMR C43H80N12O10S2 988.5562 NA PeJP NA NA +PJ118747 SKKERRW C43H72N16O11 988.5567 NA PeJP NA NA +PJ118748 LLLKMWW C51H76N10O8S 988.5569 NA PeJP NA NA +PJ118749 SCRRRRR C36H72N22O9S 988.5574 NA PeJP NA NA +PJ118750 STLLLKEW C47H76N10O13 988.5594 NA PeJP NA NA +PJ118751 AAKKEMRR C40H76N16O11S 988.5601 NA PeJP NA NA +MJ099177 Dammar-24-ene-3,12,20-triol, 3-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C50H84O19 988.56068 NA MeJP NA NA +MJ099178 Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside], 20-O-?-D-glucopyranoside C50H84O19 988.56068 NA MeJP NA NA +PJ118752 SVKKRWW C48H72N14O9 988.5607 NA PeJP NA NA +2856 NA YGGFLRRIKSARKLANQ 988.56145 MH2+ Inhouse_peptide NA peptide +PJ118753 AATLLLKEM C44H80N10O13S 988.5627 NA PeJP NA NA +PJ118754 VLLKKEEM C44H80N10O13S 988.5628 NA PeJP NA NA +PJ118755 GSTTRRRR C37H72N20O12 988.5639 NA PeJP NA NA +PJ118756 LQKKMRW C45H76N14O9S 988.5641 NA PeJP NA NA +PJ118757 TTTLLERR C41H76N14O14 988.5666 NA PeJP NA NA +PJ118758 GLLLMMRR C42H80N14O9S2 988.5675 NA PeJP NA NA +PJ118759 STKRRRW C42H72N18O10 988.5679 NA PeJP NA NA +PJ118760 STTLLLRW C46H76N12O12 988.5706 NA PeJP NA NA +PJ118761 DKKMRRR C39H76N18O10S 988.5713 NA PeJP NA NA +PJ118762 LLKHHRW C47H72N16O8 988.5719 NA PeJP NA NA +PJ118763 SLLLKEMR C43H80N12O12S 988.574 NA PeJP NA NA +PJ118764 GPLLLKYW C51H76N10O10 988.5746 NA PeJP NA NA +PJ118765 CLKKRRW C44H76N16O8S 988.5753 NA PeJP NA NA +PJ118766 ATTKKERR C40H76N16O13 988.5778 NA PeJP NA NA +PJ118767 SVLLLKMW C48H80N10O10S 988.578 NA PeJP NA NA +PJ118768 AQFRRRR C41H72N20O9 988.5792 NA PeJP NA NA +PJ118769 SSSLLLLKE C44H80N10O15 988.5805 NA PeJP NA NA +PJ118770 LLLLQKMM C45H84N10O10S2 988.5814 NA PeJP NA NA +PJ118771 GTTLKKRW C45H76N14O11 988.5818 NA PeJP NA NA +PJ118772 GGGTKKKKW C45H76N14O11 988.5819 NA PeJP NA NA +MJ099179 Apramide D; 2'-Demethyl C53H80N8O8S 988.581982 NA MeJP NA NA +PJ118773 SKMRRRR C38H76N20O9S 988.5825 NA PeJP NA NA +PJ118774 LLLLLEEF C49H80N8O13 988.5845 NA PeJP NA NA +PJ118775 STLLLMRR C42H80N14O11S 988.5852 NA PeJP NA NA +PJ118776 TLKKKWW C50H76N12O9 988.5859 NA PeJP NA NA +PJ118777 SSSLKRRR C39H76N18O12 988.5891 NA PeJP NA NA +PJ118778 GVLKKKMW C47H80N12O9S 988.5892 NA PeJP NA NA +PJ118779 SSSTLLLLR C43H80N12O14 988.5917 NA PeJP NA NA +PJ118780 VVLLKMMR C44H84N12O9S2 988.5926 NA PeJP NA NA +PJ118781 AAPKKRRY C44H76N16O10 988.5931 NA PeJP NA NA +PJ118782 PVLLKKEY C48H80N10O12 988.5958 NA PeJP NA NA +PJ118783 ASLKKMRR C41H80N16O10S 988.5964 NA PeJP NA NA +PJ118784 GTLKKMRR C41H80N16O10S 988.5965 NA PeJP NA NA +PJ118785 VLLFRRW C49H76N14O8 988.5971 NA PeJP NA NA +PJ118786 GTTLLLLKM C45H84N10O12S 988.5991 NA PeJP NA NA +PJ118787 LKKKMRW C46H80N14O8S 988.6005 NA PeJP NA NA +PJ118788 STLKKKER C42H80N14O13 988.603 NA PeJP NA NA +PJ118789 VQKFRRR C43H76N18O9 988.6043 NA PeJP NA NA +PJ118790 SSLLKKKW C47H80N12O11 988.607 NA PeJP NA NA +PJ118791 VVKKKKEM C44H84N12O11S 988.6104 NA PeJP NA NA +PJ118792 GLLLLKFW C52H80N10O9 988.611 NA PeJP NA NA +PJ118793 STTLKKRR C41H80N16O12 988.6142 NA PeJP NA NA +PJ118794 PLLLKKMF C49H84N10O9S 988.6144 NA PeJP NA NA +PJ118795 AKFRRRR C42H76N20O8 988.6155 NA PeJP NA NA +PJ118796 KKKHHRR C42H76N20O8 988.6156 NA PeJP NA NA +PJ118797 STTTLLLLK C45H84N10O14 988.6169 NA PeJP NA NA +PJ118798 LLLLKKMM C46H88N10O9S2 988.6178 NA PeJP NA NA +PJ118799 GSKKKKKW C46H80N14O10 988.6182 NA PeJP NA NA +PJ118800 LLLLLLEY C50H84N8O12 988.6209 NA PeJP NA NA +PJ118801 SVLKKKMR C43H84N14O10S 988.6216 NA PeJP NA NA +PJ118802 GTTTLLKKK C44H84N12O13 988.6281 NA PeJP NA NA +PJ118803 LLLRRRY C45H80N16O9 988.6295 NA PeJP NA NA +PJ118804 VLLLLQKY C49H84N10O11 988.6321 NA PeJP NA NA +PJ118805 GGLLLLLKY C49H84N10O11 988.6322 NA PeJP NA NA +PJ118806 ACKKKKKR C42H84N16O9S 988.6328 NA PeJP NA NA +PJ118807 SDKKKKKK C43H84N14O12 988.6394 NA PeJP NA NA +PJ118808 VKKFRRR C44H80N18O8 988.6407 NA PeJP NA NA +PJ118809 ALLLLKRY C48H84N12O10 988.6434 NA PeJP NA NA +PJ118810 TLLKKKKM C45H88N12O10S 988.6468 NA PeJP NA NA +PJ118811 SSKKKKKR C42H84N16O11 988.6506 NA PeJP NA NA +PJ118812 GLLKKKFR C47H84N14O9 988.6546 NA PeJP NA NA +PJ118813 AKKKKKKM C44H88N14O9S 988.658 NA PeJP NA NA +PJ118814 VLLLLKKY C50H88N10O10 988.6685 NA PeJP NA NA +PJ118815 TTKKKKKK C44H88N14O11 988.6757 NA PeJP NA NA +PJ118816 VVLKKKKF C49H88N12O9 988.6798 NA PeJP NA NA +PJ118817 CCCCCCCCF C33H51N9O10S8 989.1525 NA PeJP NA NA +PJ118818 SCCCCCCCY C33H51N9O12S7 989.1703 NA PeJP NA NA +PJ118819 SCCCCCCEH C32H51N11O13S6 989.1993 NA PeJP NA NA +PJ118820 SCCCDDDDD C32H47N9O21S3 989.2049 NA PeJP NA NA +PJ118821 PCCCCCDDE C33H51N9O16S5 989.2058 NA PeJP NA NA +PJ118822 GCCCCCMMH C33H55N11O10S7 989.2179 NA PeJP NA NA +PJ118823 GCCCDDDEM C33H51N9O18S4 989.2235 NA PeJP NA NA +PJ118824 CCCCCNNNN C31H51N13O14S5 989.2282 NA PeJP NA NA +PJ118825 GGGGCCCCCNN C31H51N13O14S5 989.2283 NA PeJP NA NA +PJ118826 GCCCCCDHF C36H51N11O12S5 989.2323 NA PeJP NA NA +PJ118827 SCCCCNNDE C32H51N11O17S4 989.2348 NA PeJP NA NA +PJ118828 STCCCCCMH C33H55N11O12S6 989.2356 NA PeJP NA NA +PJ118829 GGGGPCCCCCM C33H55N11O12S6 989.2357 NA PeJP NA NA +PJ118830 CCCDDDMW C37H51N9O15S4 989.2388 NA PeJP NA NA +PJ118831 SSCCDDDDM C33H51N9O20S3 989.2413 NA PeJP NA NA +PJ118832 SPCCCCDEM C34H55N9O15S5 989.2422 NA PeJP NA NA +PJ118833 PPCCCCCMM C35H59N9O10S7 989.243 NA PeJP NA NA +PJ118834 GSCCCCNDW C36H51N11O14S4 989.25 NA PeJP NA NA +PJ118835 GSSSCCCNDD C32H51N11O19S3 989.2525 NA PeJP NA NA +PJ118836 GCCCNNDMM C33H55N11O14S5 989.2534 NA PeJP NA NA +FL7AAAGL0042 Pelargonidin 3-(6''-ferulylsambubioside)-5-(6'''-malonylglucoside) C45H49O25 989.25629 175738-00-8 knapsack NA NA +PJ118837 GPCCCDDDY C37H51N9O17S3 989.2566 NA PeJP NA NA +PJ118838 PPCCCCCDF C38H55N9O12S5 989.2574 NA PeJP NA NA +PJ118839 GSCCDDEMM C34H55N9O17S4 989.2599 NA PeJP NA NA +PJ118840 GPCCCDMMM C35H59N9O12S6 989.2608 NA PeJP NA NA +PJ118841 GCCCCCNER C32H55N13O13S5 989.2646 NA PeJP NA NA +PJ118842 GCCCNNDDF C36H51N11O16S3 989.2678 NA PeJP NA NA +PJ118843 CCCCNQMW C37H55N11O11S5 989.2686 NA PeJP NA NA +PJ118844 GGCCCCQMW C37H55N11O11S5 989.2687 NA PeJP NA NA +PJ118845 SSCCCNNEM C33H55N11O16S4 989.2711 NA PeJP NA NA +PJ118846 GGSSCCCNEM C33H55N11O16S4 989.2712 NA PeJP NA NA +PJ118847 PCCCCCCQK C34H59N11O11S6 989.272 NA PeJP NA NA +PJ118848 GCCCCNNHH C34H51N15O12S4 989.2725 NA PeJP NA NA +PJ118849 CNDDDDMY C37H51N9O19S2 989.2743 NA PeJP NA NA +PJ118850 SCCDDMMW C38H55N9O14S4 989.2752 NA PeJP NA NA +PJ118851 SSSCDDDMM C34H55N9O19S3 989.2777 NA PeJP NA NA +PJ118852 CNDDMMMM C35H59N9O14S5 989.2785 NA PeJP NA NA +PJ118853 GGCDDMMMM C35H59N9O14S5 989.2786 NA PeJP NA NA +PJ118854 GSCCCDEHH C35H51N13O15S3 989.279 NA PeJP NA NA +PJ118855 CCCCCNRW C36H55N13O10S5 989.2799 NA PeJP NA NA +PJ118856 SSCCCCNDR C32H55N13O15S4 989.2824 NA PeJP NA NA +PJ118857 GSDDDDDDH C35H47N11O23 989.2847 NA PeJP NA NA +PJ118858 GSCCNNDDY C36H51N11O18S2 989.2855 NA PeJP NA NA +PJ118859 GGGGGSCCDDY C36H51N11O18S2 989.2856 NA PeJP NA NA +PJ118860 GSSCCCNMW C37H55N11O13S4 989.2864 NA PeJP NA NA +PJ118861 GSSSSCCNDM C33H55N11O18S3 989.2889 NA PeJP NA NA +PJ118862 GCCDDEYW C41H51N9O16S2 989.2896 NA PeJP NA NA +PJ118863 CCCDEMMR C34H59N11O13S5 989.2898 NA PeJP NA NA +PJ118864 PCCCCEFW C42H55N9O11S4 989.2904 NA PeJP NA NA +PJ118865 GSSCDDDEY C37H51N9O21S 989.2921 NA PeJP NA NA +PJ118866 GSPCCDDMY C38H55N9O16S3 989.2929 NA PeJP NA NA +PJ118867 GCCEMMMW C39H59N9O11S5 989.2938 NA PeJP NA NA +PJ118868 SCCCDHHW C39H51N13O12S3 989.2943 NA PeJP NA NA +PJ118869 GSSCDEMMM C35H59N9O16S4 989.2963 NA PeJP NA NA +PJ118870 SSSCCDDHH C35H51N13O17S2 989.2968 NA PeJP NA NA +PJ118871 GSPCCMMMM C36H63N9O11S6 989.2972 NA PeJP NA NA +PJ118872 CCNDMMHH C36H55N13O12S4 989.2976 NA PeJP NA NA +PJ118873 GGCCDMMHH C36H55N13O12S4 989.2977 NA PeJP NA NA +PJ118874 PCCDDDHW C40H51N11O15S2 989.3008 NA PeJP NA NA +PJ118875 GSCCCCQMR C33H59N13O12S5 989.301 NA PeJP NA NA +PJ118876 CCCCQHFF C41H55N11O10S4 989.3017 NA PeJP NA NA +PJ118877 NDDDDEMH C36H51N11O20S 989.3033 NA PeJP NA NA +PJ118878 SSSTCCCNW C37H55N11O15S3 989.3041 NA PeJP NA NA +PJ118879 SSSSCCCQW C37H55N11O15S3 989.3042 NA PeJP NA NA +PJ118880 CCDDYWW C45H51N9O13S2 989.3048 NA PeJP NA NA +PJ118881 CCCCNKMW C38H59N11O10S5 989.305 NA PeJP NA NA +PJ118882 SSSSSSCCNE C33H55N11O20S2 989.3066 NA PeJP NA NA +PJ118883 GGSSSSSSCCE C33H55N11O20S2 989.3067 NA PeJP NA NA +PJ118884 SSCDDDYW C41H51N9O18S 989.3073 NA PeJP NA NA +PJ118885 SSSCCNQMM C34H59N11O15S4 989.3075 NA PeJP NA NA +PJ118886 GCCNNNNDH C34H51N15O16S2 989.308 NA PeJP NA NA +PJ118887 SPCCCEYW C42H55N9O13S3 989.3082 NA PeJP NA NA +PJ118888 PCCCCCCKK C35H63N11O10S6 989.3084 NA PeJP NA NA +PJ118889 CCCCEHHR C35H55N15O11S4 989.3089 NA PeJP NA NA +PJ118890 CCMMMWW C43H59N9O8S5 989.3091 NA PeJP NA NA +PJ118891 SSSSDDDDY C37H51N9O23 989.3098 NA PeJP NA NA +PJ118892 SNDDDMMY C38H55N9O18S2 989.3107 NA PeJP NA NA +PJ118893 SSCDMMMW C39H59N9O13S4 989.3115 NA PeJP NA NA +PJ118894 TTCCDMMW C39H59N9O13S4 989.3116 NA PeJP NA NA +PJ118895 CCNDDHHF C39H51N13O14S2 989.312 NA PeJP NA NA +PJ118896 GSCCCCCRR C32H59N15O11S5 989.3123 NA PeJP NA NA +PJ118897 ACCCMHHW C40H55N13O9S4 989.3129 NA PeJP NA NA +HMDB06499 pentadecanoyl Coenzyme A C36H62N7O17P3S 989.3136 http://www.hmdb.ca/metabolites/HMDB06499 HMDB NA NA +HMDB06499 pentadecanoyl Coenzyme A C36H62N7O17P3S 989.3136 HMDB06499 PFEM_hmdb_metabocards_official NA NA +PJ118898 SSSSDDMMM C35H59N9O18S3 989.314 NA PeJP NA NA +PJ118899 TTTTCCDDM C35H59N9O18S3 989.3141 NA PeJP NA NA +PJ118900 CDDDDDHR C35H51N13O19S 989.3145 NA PeJP NA NA +PJ118901 GGGGGSCDDEH C35H51N13O19S 989.3146 NA PeJP NA NA +PJ118902 SNDMMMMM C36H63N9O13S5 989.3149 NA PeJP NA NA +PJ118903 CCCNNDRY C36H55N13O14S3 989.3154 NA PeJP NA NA +PJ118904 CCCNHHHH C37H51N17O10S3 989.3167 NA PeJP NA NA +PJ118905 GGCCCHHHH C37H51N17O10S3 989.3168 NA PeJP NA NA +PJ118906 GDDDDMHW C40H51N11O17S 989.3186 NA PeJP NA NA +PJ118907 SSSCCCNMR C33H59N13O14S4 989.3188 NA PeJP NA NA +PJ118908 GCCNNMYW C41H55N11O12S3 989.3194 NA PeJP NA NA +PJ118909 GSSDDDEEH C36H51N11O22 989.3211 NA PeJP NA NA +PJ118910 GSSSSSSCCW C37H55N11O17S2 989.3219 NA PeJP NA NA +PJ118911 GSTCCCCKW C38H59N11O12S4 989.3228 NA PeJP NA NA +PJ118912 CCDMFWW C46H55N9O10S3 989.3234 NA PeJP NA NA +PJ118913 GSSSSSSSSCD C33H55N11O22S 989.3244 NA PeJP NA NA +PJ118914 GNDDDEYY C41H51N9O20 989.3251 NA PeJP NA NA +PJ118915 GSSSSSCNMM C34H59N11O17S3 989.3253 NA PeJP NA NA +PJ118916 GSCDEMYW C42H55N9O15S2 989.3259 NA PeJP NA NA +PJ118917 GGPCCDEFY C42H55N9O15S2 989.326 NA PeJP NA NA +PJ118918 SCCEMMMR C35H63N11O12S5 989.3262 NA PeJP NA NA +PJ118919 GPCCMMYW C43H59N9O10S4 989.3268 NA PeJP NA NA +PJ118920 GSSSDDEMY C38H55N9O20S 989.3284 NA PeJP NA NA +PJ118921 GPPDDDDEM C38H55N9O20S 989.3285 NA PeJP NA NA +PJ118922 GNDEMMMY C39H59N9O15S3 989.3293 NA PeJP NA NA +PJ118923 SCNNDDHW C39H51N13O16S 989.3298 NA PeJP NA NA +PJ118924 CCEFYYY C47H55N7O13S2 989.33 NA PeJP NA NA +PJ118925 GTCMMMMW C40H63N9O10S5 989.3302 NA PeJP NA NA +PJ118926 SSCCMHHW C40H55N13O11S3 989.3307 NA PeJP NA NA +PJ118927 SSSNNDDDH C35H51N13O21 989.3323 NA PeJP NA NA +PJ118928 GSSSEMMMM C36H63N9O15S4 989.3327 NA PeJP NA NA +PJ118929 SSSSCDMHH C36H55N13O16S2 989.3331 NA PeJP NA NA +PJ118930 NNNDDMMH C36H55N13O16S2 989.3332 NA PeJP NA NA +PJ118931 GQMMMMMM C37H67N9O10S6 989.3336 NA PeJP NA NA +PJ118932 CDDEHWW C44H51N11O14S 989.3338 NA PeJP NA NA +PJ118933 CCCNNMFR C37H59N13O11S4 989.334 NA PeJP NA NA +PJ118934 SSDDDEHW C40H51N11O19 989.3363 NA PeJP NA NA +PJ118935 GSSSSTCCCR C33H59N13O16S3 989.3365 NA PeJP NA NA +PJ118936 SSCCNQYW C41H55N11O14S2 989.3372 NA PeJP NA NA +PJ118937 GSCCCCKMR C34H63N13O11S5 989.3374 NA PeJP NA NA +PJ118938 CCCCKHFF C42H59N11O9S4 989.3381 NA PeJP NA NA +PJ118939 SSSSCNNEY C37H55N11O19S 989.3397 NA PeJP NA NA +PJ118940 NDDDYYW C45H51N9O17 989.3403 NA PeJP NA NA +PJ118941 SSSSCCCKW C38H59N11O14S3 989.3405 NA PeJP NA NA +PJ118942 ACCDEMRY C38H59N11O14S3 989.3406 NA PeJP NA NA +PJ118943 SCDMYWW C46H55N9O12S2 989.3412 NA PeJP NA NA +PJ118944 PCCCMMFR C39H63N11O9S5 989.3414 NA PeJP NA NA +PJ118945 GPPCCCHHH C39H55N15O10S3 989.3419 NA PeJP NA NA +PJ118946 SSSSSSSCQM C34H59N11O19S2 989.343 NA PeJP NA NA +PJ118947 GNNNNNNDD C34H51N15O20 989.3435 NA PeJP NA NA +PJ118948 GGGGGGGGGNNDD C34H51N15O20 989.3436 NA PeJP NA NA +PJ118949 SSSDDMYW C42H55N9O17S 989.3437 NA PeJP NA NA +PJ118950 SSSCCNKMM C35H63N11O14S4 989.3439 NA PeJP NA NA +PJ118951 CCNNDEHR C35H55N15O15S2 989.3444 NA PeJP NA NA +PJ118952 NDMMMYW C43H59N9O12S3 989.3446 NA PeJP NA NA +PJ118953 GCMMMMMR C36H67N11O9S6 989.3448 NA PeJP NA NA +PJ118954 TCCCMHHR C36H59N15O10S4 989.3453 NA PeJP NA NA +PJ118955 SSSSSDEEY C38H55N9O22 989.3462 NA PeJP NA NA +PJ118956 SSNEEMMY C39H59N9O17S2 989.3471 NA PeJP NA NA +PJ118957 NNNDDDHF C39H51N13O18 989.3475 NA PeJP NA NA +PJ118958 GGNNDDDHF C39H51N13O18 989.3476 NA PeJP NA NA +PJ118959 SCEYYYY C47H55N7O15S 989.3477 NA PeJP NA NA +PJ118960 SSSMMMMW C40H63N9O12S4 989.3479 NA PeJP NA NA +PJ118961 GGGEMMMMF C40H63N9O12S4 989.348 NA PeJP NA NA +PJ118962 GCNNEMHW C40H55N13O13S2 989.3484 NA PeJP NA NA +PJ118963 EEEEEYY C43H55N7O20 989.3502 NA PeJP NA NA +PJ118964 SSSSTEMMM C36H63N9O17S3 989.3504 NA PeJP NA NA +PJ118965 SDDDDMHR C36H55N13O18S 989.3509 NA PeJP NA NA +PJ118966 GGGGGGGGAPCDE C36H55N13O18S 989.351 NA PeJP NA NA +PJ118967 STQMMMMM C37H67N9O12S5 989.3513 NA PeJP NA NA +PJ118968 SCCNNMRY C37H59N13O13S3 989.3518 NA PeJP NA NA +PJ118969 CNNNDHHH C37H51N17O14S 989.3523 NA PeJP NA NA +PJ118970 GCCNNFFW C45H55N11O11S2 989.3524 NA PeJP NA NA +PJ118971 GGGGGCCFFW C45H55N11O11S2 989.3525 NA PeJP NA NA +PJ118972 SSSSSSSCCR C33H59N13O18S2 989.3543 NA PeJP NA NA +PJ118973 GSSSSCNYW C41H55N11O16S 989.3549 NA PeJP NA NA +PJ118974 GGGSPPCDDW C41H55N11O16S 989.355 NA PeJP NA NA +PJ118975 SSTCCCCKR C34H63N13O13S4 989.3552 NA PeJP NA NA +PJ118976 CCEMRYW C42H59N11O11S3 989.3558 NA PeJP NA NA +PJ118977 GSSSSSSNDY C37H55N11O21 989.3574 NA PeJP NA NA +PJ118978 PDDDDEER C37H55N11O21 989.3575 NA PeJP NA NA +PJ118979 SSCDEMRY C38H59N11O16S2 989.3583 NA PeJP NA NA +PJ118980 SNDDEHHH C38H51N15O17 989.3588 NA PeJP NA NA +PJ118981 GSPCDYYW C46H55N9O14S 989.359 NA PeJP NA NA +PJ118982 SPCCMMRY C39H63N11O11S4 989.3592 NA PeJP NA NA +PJ118983 GCCNDHRW C39H55N15O12S2 989.3596 NA PeJP NA NA +PJ118984 GGGCCDHRW C39H55N15O12S2 989.3597 NA PeJP NA NA +PJ118985 ACMMYWW C47H59N9O9S3 989.3598 NA PeJP NA NA +PJ118986 GSSSSSSSSSM C34H59N11O21S 989.3608 NA PeJP NA NA +PJ118987 GPDEEEEW C42H55N9O19 989.3615 NA PeJP NA NA +PJ118988 GSSSSTCCKM C35H63N11O16S3 989.3617 NA PeJP NA NA +PJ118989 SSSCNNNQH C35H55N15O17S 989.3621 NA PeJP NA NA +PJ118990 GSSCNDDHR C35H55N15O17S 989.3622 NA PeJP NA NA +PJ118991 GSSEMMYW C43H59N9O14S2 989.3623 NA PeJP NA NA +PJ118992 STCMMMMR C36H67N11O11S5 989.3625 NA PeJP NA NA +PJ118993 GSCCCKKMM C36H67N11O11S5 989.3626 NA PeJP NA NA +PJ118994 GSPCCCQHR C36H59N15O12S3 989.363 NA PeJP NA NA +PJ118995 NMMMMFW C44H63N9O9S4 989.3632 NA PeJP NA NA +PJ118996 CNNMHWW C44H55N13O10S2 989.3637 NA PeJP NA NA +PJ118997 GSSSTEEMY C39H59N9O19S 989.3648 NA PeJP NA NA +PJ118998 GTQEMMMY C40H63N9O14S3 989.3657 NA PeJP NA NA +PJ118999 SSNNDMHW C40H55N13O15S 989.3662 NA PeJP NA NA +PJ119000 GMMYYYY C48H59N7O12S2 989.3663 NA PeJP NA NA +PJ119001 PCCKMMMF C41H67N9O9S5 989.3666 NA PeJP NA NA +PJ119002 PCCCNKHW C41H59N13O10S3 989.367 NA PeJP NA NA +PJ119003 GGPCCCKHW C41H59N13O10S3 989.3671 NA PeJP NA NA +PJ119004 GSPNDDDDR C36H55N13O20 989.3687 NA PeJP NA NA +PJ119005 GSTTTMMMM C37H67N9O14S4 989.3691 NA PeJP NA NA +PJ119006 GSSSCCQRY C37H59N13O15S2 989.3695 NA PeJP NA NA +PJ119007 GDDEMMHR C37H59N13O15S2 989.3696 NA PeJP NA NA +PJ119008 GKMMMMMM C38H71N9O9S6 989.3699 NA PeJP NA NA +PJ119009 SDEMHWW C45H55N11O13S 989.3702 NA PeJP NA NA +PJ119010 CCCCQKFR C38H63N13O10S4 989.3704 NA PeJP NA NA +PJ119011 PCMMHWW C46H59N11O8S3 989.3711 NA PeJP NA NA +PJ119012 SSSEEEHW C41H55N11O18 989.3727 NA PeJP NA NA +PJ119013 SSCCNKYW C42H59N11O13S2 989.3736 NA PeJP NA NA +PJ119014 GSDDHHHW C42H51N15O14 989.374 NA PeJP NA NA +PJ119015 GCEFYWW C50H55N9O11S 989.3742 NA PeJP NA NA +PJ119016 APCCHHHW C43H55N15O9S2 989.3749 NA PeJP NA NA +PJ119017 SSSSSNQMY C38H59N11O18S 989.376 NA PeJP NA NA +PJ119018 GGSSSSSQMY C38H59N11O18S 989.3761 NA PeJP NA NA +PJ119019 PDEEEWW C46H55N9O16 989.3767 NA PeJP NA NA +PJ119020 GSDMMMRY C39H63N11O13S3 989.3769 NA PeJP NA NA +PJ119021 GGGGSPPPCMM C39H63N11O13S3 989.377 NA PeJP NA NA +PJ119022 CNNNNQHF C39H55N15O14S 989.3774 NA PeJP NA NA +PJ119023 SSMMYWW C47H59N9O11S2 989.3776 NA PeJP NA NA +PJ119024 GCCMHHFR C40H59N15O9S3 989.3783 NA PeJP NA NA +PJ119025 SSSSSSSSSST C34H59N11O23 989.3785 NA PeJP NA NA +PJ119026 SSSSSSSCKM C35H63N11O18S2 989.3794 NA PeJP NA NA +PJ119027 NNNNDDER C35H55N15O19 989.3799 NA PeJP NA NA +PJ119028 GGGGGGGGGGGGGTE C35H55N15O19 989.38 NA PeJP NA NA +PJ119029 SSSTEMYW C43H59N9O16S 989.3801 NA PeJP NA NA +PJ119030 SSTCCCKKM C36H67N11O13S4 989.3803 NA PeJP NA NA +PJ119031 GDFYYYY C51H55N7O14 989.3807 NA PeJP NA NA +PJ119032 SCNNEMHR C36H59N15O14S2 989.3808 NA PeJP NA NA +PJ119033 TQMMMYW C44H63N9O11S3 989.3809 NA PeJP NA NA +PJ119034 GATMMMYW C44H63N9O11S3 989.381 NA PeJP NA NA +PJ119035 GSSCQHWW C44H55N13O12S 989.3814 NA PeJP NA NA +PJ119036 SSSSTTEEY C39H59N9O21 989.3826 NA PeJP NA NA +PJ119037 STTQEMMY C40H63N9O16S2 989.3834 NA PeJP NA NA +PJ119038 SSDKEMMY C40H63N9O16S2 989.3835 NA PeJP NA NA +PJ119039 GSSSSNEHW C40H55N13O17 989.3839 NA PeJP NA NA +PJ119040 GGGGGGGQEEW C40H55N13O17 989.384 NA PeJP NA NA +PJ119041 STMYYYY C48H59N7O14S 989.3841 NA PeJP NA NA +PJ119042 GVQMMMMY C41H67N9O11S4 989.3843 NA PeJP NA NA +PJ119043 DDMMHRW C41H59N13O12S2 989.3848 NA PeJP NA NA +PJ119044 PCDHFWW C49H55N11O10S 989.3854 NA PeJP NA NA +PJ119045 SSTTTTMMM C37H67N9O16S3 989.3868 NA PeJP NA NA +PJ119046 SSSSSCNRY C37H59N13O17S 989.3873 NA PeJP NA NA +PJ119047 STKMMMMM C38H71N9O11S5 989.3877 NA PeJP NA NA +PJ119048 GSSNNYYW C45H55N11O15 989.3879 NA PeJP NA NA +PJ119049 GSPNDEWW C45H55N11O15 989.388 NA PeJP NA NA +PJ119050 SCCCQKRY C38H63N13O12S3 989.3882 NA PeJP NA NA +PJ119051 SNNNMHHH C38H55N17O13S 989.3886 NA PeJP NA NA +PJ119052 GCDEHHHR C38H55N17O13S 989.3887 NA PeJP NA NA +PJ119053 AEMMHWW C46H59N11O10S2 989.3888 NA PeJP NA NA +PJ119054 CFYWWW C54H55N9O8S 989.3895 NA PeJP NA NA +PJ119055 GTTEEMHW C42H59N11O15S 989.3913 NA PeJP NA NA +PJ119056 GSEYYWW C50H55N9O13 989.392 NA PeJP NA NA +PJ119057 TCMMRYW C43H63N11O10S3 989.3922 NA PeJP NA NA +PJ119058 NEMHHHW C43H55N15O11S 989.3927 NA PeJP NA NA +PJ119059 ACMFFWW C51H59N9O8S2 989.3928 NA PeJP NA NA +PJ119060 GSSSSSSTQY C38H59N11O20 989.3938 NA PeJP NA NA +PJ119061 GGGGGGLEEEE C38H59N11O20 989.3939 NA PeJP NA NA +PJ119062 SSSEMMRY C39H63N11O15S2 989.3947 NA PeJP NA NA +PJ119063 SNNNNNQW C39H55N15O16 989.3951 NA PeJP NA NA +PJ119064 GNNNDDRW C39H55N15O16 989.3952 NA PeJP NA NA +PJ119065 AQEMYYW C47H59N9O13S 989.3953 NA PeJP NA NA +PJ119066 PPPCDEFW C47H59N9O13S 989.3954 NA PeJP NA NA +PJ119067 QMMMMRY C40H67N11O10S4 989.3956 NA PeJP NA NA +PJ119068 GSCNMHRW C40H59N15O11S2 989.396 NA PeJP NA NA +PJ119069 GGGGPCCHFR C40H59N15O11S2 989.3961 NA PeJP NA NA +PJ119070 MMMHFFF C48H63N9O8S3 989.3962 NA PeJP NA NA +PJ119071 GNDHHHHH C40H51N19O12 989.3965 NA PeJP NA NA +PJ119072 CNHHFFW C48H55N13O9S 989.3967 NA PeJP NA NA +PJ119073 GSDKEEYY C43H59N9O18 989.3978 NA PeJP NA NA +PJ119074 APTEEEEW C43H59N9O18 989.3979 NA PeJP NA NA +PJ119075 PCNDDDRR C36H59N15O16S 989.3985 NA PeJP NA NA +PJ119076 GGPCDDDRR C36H59N15O16S 989.3986 NA PeJP NA NA +PJ119077 GTTTMMYW C44H63N9O13S2 989.3987 NA PeJP NA NA +PJ119078 SSSSNHWW C44H55N13O14 989.3992 NA PeJP NA NA +PJ119079 GMFFYYY C52H59N7O11S 989.3994 NA PeJP NA NA +PJ119080 CCQKHWW C45H59N13O9S2 989.4 NA PeJP NA NA +PJ119081 GACCKHWW C45H59N13O9S2 989.4001 NA PeJP NA NA +PJ119082 SSSSSLEMY C40H63N9O18S 989.4012 NA PeJP NA NA +PJ119083 GTKEMMMY C41H67N9O13S3 989.4021 NA PeJP NA NA +PJ119084 SSSQQMHW C41H59N13O14S 989.4025 NA PeJP NA NA +PJ119085 GPNDDMRW C41H59N13O14S 989.4026 NA PeJP NA NA +PJ119086 SPNDWWW C49H55N11O12 989.4032 NA PeJP NA NA +PJ119087 PPCCMHFR C42H63N13O9S3 989.4034 NA PeJP NA NA +PJ119088 CDHHHRW C42H55N17O10S 989.4039 NA PeJP NA NA +PJ119089 SSSSNDKEH C37H59N13O19 989.405 NA PeJP NA NA +PJ119090 GNQEEEER C37H59N13O19 989.4051 NA PeJP NA NA +PJ119091 GSSSCCKRY C38H63N13O14S2 989.4059 NA PeJP NA NA +PJ119092 GGGGGGAAPQMM C38H63N13O14S2 989.406 NA PeJP NA NA +PJ119093 SSDDHHHR C38H55N17O15 989.4064 NA PeJP NA NA +PJ119094 TTEMHWW C46H59N11O12S 989.4066 NA PeJP NA NA +PJ119095 CMMMRRY C39H67N13O9S4 989.4068 NA PeJP NA NA +PJ119096 SYYWWW C54H55N9O10 989.4072 NA PeJP NA NA +PJ119097 PTCCHHHR C39H59N17O10S2 989.4073 NA PeJP NA NA +PJ119098 GMHHHWW C47H55N15O8S 989.4079 NA PeJP NA NA +MJ099180 Pseudobactin B C42H59N11O17 989.409039 NA MeJP NA NA +PJ119099 STTTEEHW C42H59N11O17 989.4091 NA PeJP NA NA +PJ119100 NNNNNNMR C35H59N17O15S 989.4098 NA PeJP NA NA +PJ119101 KEEMMHW C43H63N11O12S2 989.4099 NA PeJP NA NA +PJ119102 GSLEMMHW C43H63N11O12S2 989.41 NA PeJP NA NA +PJ119103 GSTEHHHW C43H55N15O13 989.4104 NA PeJP NA NA +PJ119104 AAMYYWW C51H59N9O10S 989.4106 NA PeJP NA NA +PJ119105 GGACCMHRR C36H63N17O10S3 989.4107 NA PeJP NA NA +PJ119106 SSSSSNKMY C39H63N11O17S 989.4124 NA PeJP NA NA +PJ119107 APEEEEMR C39H63N11O17S 989.4125 NA PeJP NA NA +PJ119108 SDKEYYW C47H59N9O15 989.4131 NA PeJP NA NA +PJ119109 GTTMMMRY C40H67N11O12S3 989.4133 NA PeJP NA NA +PJ119110 SSSCQHRW C40H59N15O13S 989.4138 NA PeJP NA NA +PJ119111 PCKMYYW C48H63N9O10S2 989.414 NA PeJP NA NA +PJ119112 GNNQWWW C48H55N13O11 989.4144 NA PeJP NA NA +PJ119113 GGGGGGAWWW C48H55N13O11 989.4145 NA PeJP NA NA +PJ119114 GNDDEERR C36H59N15O18 989.4163 NA PeJP NA NA +PJ119115 STTTTMYW C44H63N9O15S 989.4165 NA PeJP NA NA +PJ119116 GVYYYYY C52H59N7O13 989.4171 NA PeJP NA NA +PJ119117 GSPPCCDRR C37H63N15O13S2 989.4172 NA PeJP NA NA +PJ119118 TKMMMYW C45H67N9O10S3 989.4173 NA PeJP NA NA +PJ119119 AAAAMMMFF C45H67N9O10S3 989.4174 NA PeJP NA NA +PJ119120 PCNERWW C45H59N13O11S 989.4178 NA PeJP NA NA +PJ119121 EHFWWW C53H55N11O9 989.4185 NA PeJP NA NA +PJ119122 STTTTTTDY C40H63N9O20 989.4189 NA PeJP NA NA +PJ119123 SSTTTTTEY C40H63N9O20 989.419 NA PeJP NA NA +PJ119124 STTKEMMY C41H67N9O15S2 989.4198 NA PeJP NA NA +PJ119125 PPKEEEMM C41H67N9O15S2 989.4199 NA PeJP NA NA +PJ119126 NQEEERW C41H59N13O16 989.4203 NA PeJP NA NA +PJ119127 GGGGGGGGAAPEF C41H59N13O16 989.4204 NA PeJP NA NA +PJ119128 GVKMMMMY C42H71N9O10S4 989.4207 NA PeJP NA NA +PJ119129 TEMMHRW C42H63N13O11S2 989.4212 NA PeJP NA NA +PJ119130 ANNNHHHF C42H55N17O12 989.4216 NA PeJP NA NA +PJ119131 GNNQHHHF C42H55N17O12 989.4217 NA PeJP NA NA +PJ119132 GPQMWWW C50H59N11O9S 989.4218 NA PeJP NA NA +PJ119133 GCCCHRRR C35H63N19O9S3 989.4219 NA PeJP NA NA +PJ119134 STTEEMHR C38H63N13O16S 989.4237 NA PeJP NA NA +PJ119135 VNQEEWW C46H59N11O14 989.4243 NA PeJP NA NA +PJ119136 AAAAADEWW C46H59N11O14 989.4244 NA PeJP NA NA +PJ119137 ANQKMMMH C39H67N13O11S3 989.4245 NA PeJP NA NA +PJ119138 SCCCKKRY C39H67N13O11S3 989.4246 NA PeJP NA NA +PJ119139 GSEMHHHR C39H59N17O12S 989.425 NA PeJP NA NA +PJ119140 SLMMHWW C47H63N11O9S2 989.4252 NA PeJP NA NA +PJ119141 STHHHWW C47H55N15O10 989.4257 NA PeJP NA NA +PJ119142 SNNNDDRR C35H59N17O17 989.4275 NA PeJP NA NA +PJ119143 GGGGGGSDDRR C35H59N17O17 989.4276 NA PeJP NA NA +PJ119144 SSTLEMHW C43H63N11O14S 989.4277 NA PeJP NA NA +PJ119145 ATTYYWW C51H59N9O12 989.4283 NA PeJP NA NA +PJ119146 PPEEFWW C51H59N9O12 989.4284 NA PeJP NA NA +PJ119147 AALMMMHW C44H67N11O9S3 989.4286 NA PeJP NA NA +PJ119148 CNQHFRW C44H59N15O10S 989.429 NA PeJP NA NA +PJ119149 GGCQHFRW C44H59N15O10S 989.4291 NA PeJP NA NA +PJ119150 GSSSSSSTKY C39H63N11O19 989.4302 NA PeJP NA NA +PJ119151 STTTMMRY C40H67N11O14S2 989.4311 NA PeJP NA NA +PJ119152 GSSSSSHRW C40H59N15O15 989.4315 NA PeJP NA NA +PJ119153 NDDERRW C40H59N15O15 989.4316 NA PeJP NA NA +PJ119154 PLEEMWW C48H63N9O12S 989.4317 NA PeJP NA NA +PJ119155 KMMMMRY C41H71N11O9S4 989.4319 NA PeJP NA NA +PJ119156 PPPMMMMR C41H71N11O9S4 989.432 NA PeJP NA NA +PJ119157 GTCCKHRW C41H63N15O10S2 989.4324 NA PeJP NA NA +PJ119158 GTQHHHHH C41H55N19O11 989.4329 NA PeJP NA NA +PJ119159 GPCRWWW C49H59N13O8S 989.4331 NA PeJP NA NA +PJ119160 GVLEEEEW C44H63N9O17 989.4342 NA PeJP NA NA +PJ119161 SPNDDMRR C37H63N15O15S 989.4349 NA PeJP NA NA +PJ119162 GGGGGGGGVEMR C37H63N15O15S 989.435 NA PeJP NA NA +PJ119163 SPPLEMMW C45H67N9O12S2 989.4351 NA PeJP NA NA +PJ119164 GQEERWW C45H59N13O13 989.4356 NA PeJP NA NA +PJ119165 EMMMHRR C38H67N15O10S3 989.4358 NA PeJP NA NA +PJ119166 CCKKHWW C46H63N13O8S2 989.4364 NA PeJP NA NA +PJ119167 SSSTTTLMY C41H67N9O17S 989.4376 NA PeJP NA NA +PJ119168 SSLKMMMY C42H71N9O12S3 989.4385 NA PeJP NA NA +PJ119169 GSPQEMRW C42H63N13O13S 989.4389 NA PeJP NA NA +PJ119170 GPCDKERW C42H63N13O13S 989.439 NA PeJP NA NA +PJ119171 GVQEWWW C50H59N11O11 989.4396 NA PeJP NA NA +PJ119172 VMMMHRW C43H67N13O8S3 989.4398 NA PeJP NA NA +PJ119173 SMHHHRW C43H59N17O9S 989.4403 NA PeJP NA NA +PJ119174 ATQQEEER C38H63N13O18 989.4414 NA PeJP NA NA +PJ119175 GNKEEEER C38H63N13O18 989.4415 NA PeJP NA NA +PJ119176 SSLEMMHR C39H67N13O13S2 989.4423 NA PeJP NA NA +PJ119177 SSTEHHHR C39H59N17O14 989.4428 NA PeJP NA NA +PJ119178 ATMRYYW C47H63N11O11S 989.4429 NA PeJP NA NA +PJ119179 PNKEMWW C47H63N11O11S 989.443 NA PeJP NA NA +PJ119180 AAFFYWW C55H59N9O9 989.4436 NA PeJP NA NA +PJ119181 AAMMHHHR C40H63N17O9S2 989.4437 NA PeJP NA NA +PJ119182 SSSPPTTQW C43H63N11O16 989.4454 NA PeJP NA NA +PJ119183 LEEEERW C43H63N11O16 989.4455 NA PeJP NA NA +PJ119184 ACNNQERR C36H63N17O14S 989.4461 NA PeJP NA NA +PJ119185 GSSSTCHRR C36H63N17O14S 989.4462 NA PeJP NA NA +PJ119186 ATTLMMHW C44H67N11O11S2 989.4463 NA PeJP NA NA +PJ119187 GGGAAPLMMW C44H67N11O11S2 989.4464 NA PeJP NA NA +PJ119188 GDDRRWW C44H59N15O12 989.4468 NA PeJP NA NA +PJ119189 PCKFFYW C52H63N9O9S 989.447 NA PeJP NA NA +PJ119190 SSSSTCKKY C40H67N11O16S 989.4488 NA PeJP NA NA +PJ119191 AAAAAVQEEM C40H67N11O16S 989.4489 NA PeJP NA NA +PJ119192 VLEEEWW C48H63N9O14 989.4495 NA PeJP NA NA +PJ119193 SCCKKKMY C41H71N11O11S3 989.4497 NA PeJP NA NA +PJ119194 GSPCERRW C41H63N15O12S 989.4502 NA PeJP NA NA +PJ119195 CLKMFYW C49H67N9O9S2 989.4504 NA PeJP NA NA +PJ119196 QERWWW C49H59N13O10 989.4508 NA PeJP NA NA +7406 celiac sprue gluten epitope found in secalin QQHPQQPQ 989.452 antioxidative Inhouse_peptide NA peptide +PJ119197 GSQEEERR C37H63N15O17 989.4527 NA PeJP NA NA +PJ119198 KKEEMYY C45H67N9O14S 989.4528 NA PeJP NA NA +PJ119199 SPVLEEMW C45H67N9O14S 989.4529 NA PeJP NA NA +PJ119200 SSNKMMHR C38H67N15O12S2 989.4535 NA PeJP NA NA +PJ119201 GPNEMMRR C38H67N15O12S2 989.4536 NA PeJP NA NA +PJ119202 PPVVMMMW C46H71N9O9S3 989.4537 NA PeJP NA NA +PJ119203 GNNQQHHR C38H59N19O13 989.454 NA PeJP NA NA +PJ119204 GGGGGGGAAHHR C38H59N19O13 989.4541 NA PeJP NA NA +PJ119205 SPQMRWW C46H63N13O10S 989.4542 NA PeJP NA NA +PJ119206 VQWWWW C54H59N11O8 989.4548 NA PeJP NA NA +PJ119207 GGLWWWW C54H59N11O8 989.4549 NA PeJP NA NA +PJ119208 TTTTTTTTY C41H67N9O19 989.4553 NA PeJP NA NA +PJ119209 VVKEEEEE C41H67N9O19 989.4554 NA PeJP NA NA +PJ119210 PLLQEEMM C42H71N9O14S2 989.4562 NA PeJP NA NA +PJ119211 NKEEERW C42H63N13O15 989.4567 NA PeJP NA NA +PJ119212 GCNNDRRR C35H63N19O13S 989.4574 NA PeJP NA NA +PJ119213 AAPQMMRW C43H67N13O10S2 989.4576 NA PeJP NA NA +PJ119214 GSPNHHRW C43H59N17O11 989.458 NA PeJP NA NA +PJ119215 GAEHHHFR C43H59N17O11 989.4581 NA PeJP NA NA +PJ119216 GPKMWWW C51H63N11O8S 989.4582 NA PeJP NA NA +PJ119217 SPNKEEMR C39H67N13O15S 989.4601 NA PeJP NA NA +PJ119218 VNKEEWW C47H63N11O13 989.4607 NA PeJP NA NA +PJ119219 ATLMMMHR C40H71N13O10S3 989.4609 NA PeJP NA NA +PJ119220 GAPPCKMMR C40H71N13O10S3 989.461 NA PeJP NA NA +PJ119221 NNNMRRW C40H63N17O11S 989.4614 NA PeJP NA NA +PJ119222 VQHHHFW C48H59N15O9 989.4621 NA PeJP NA NA +PJ119223 GSDDERRR C36H63N17O16 989.4639 NA PeJP NA NA +PJ119224 TTTTLMHW C44H67N11O13S 989.4641 NA PeJP NA NA +PJ119225 PPLEYWW C52H63N9O11 989.4647 NA PeJP NA NA +PJ119226 APPPEFFW C52H63N9O11 989.4648 NA PeJP NA NA +PJ119227 KMMMFFR C45H71N11O8S3 989.465 NA PeJP NA NA +PJ119228 SPCRRWW C45H63N15O9S 989.4654 NA PeJP NA NA +PJ119229 ARWWWW C53H59N13O7 989.4661 NA PeJP NA NA +PJ119230 SVLEEEER C40H67N11O18 989.4666 NA PeJP NA NA +PJ119231 PVVEEMMR C41H71N11O13S2 989.4675 NA PeJP NA NA +PJ119232 SQEERRW C41H63N15O14 989.4679 NA PeJP NA NA +PJ119233 GGGGGSKERW C41H63N15O14 989.468 NA PeJP NA NA +PJ119234 SLKMYYW C49H67N9O11S 989.4681 NA PeJP NA NA +PJ119235 PNMMRRW C42H67N15O9S2 989.4688 NA PeJP NA NA +PJ119236 GTKHHHHH C42H59N19O10 989.4693 NA PeJP NA NA +PJ119237 ATLLEEEW C45H67N9O16 989.4706 NA PeJP NA NA +PJ119238 AAQEEMRR C38H67N15O14S 989.4713 NA PeJP NA NA +PJ119239 APLLEMMW C46H71N9O11S2 989.4715 NA PeJP NA NA +PJ119240 SVQERWW C46H63N13O12 989.4719 NA PeJP NA NA +PJ119241 GKEERWW C46H63N13O12 989.472 NA PeJP NA NA +PJ119242 PPCCKMRR C39H71N15O9S3 989.4722 NA PeJP NA NA +PJ119243 GPCQHHRR C39H63N19O10S 989.4727 NA PeJP NA NA +PJ119244 AHHHFRW C47H59N17O8 989.4733 NA PeJP NA NA +PJ119245 VLLQEEEM C42H71N9O16S 989.474 NA PeJP NA NA +PJ119246 GPPTLLMMM C43H75N9O11S3 989.4749 NA PeJP NA NA +PJ119247 GSPKEMRW C43H67N13O12S 989.4753 NA PeJP NA NA +PJ119248 GGGGGGALKMW C43H67N13O12S 989.4754 NA PeJP NA NA +PJ119249 GVKEWWW C51H63N11O10 989.476 NA PeJP NA NA +PJ119250 GDKKEEER C39H67N13O17 989.4778 NA PeJP NA NA +PJ119251 GGGGGATKKEE C39H67N13O17 989.4779 NA PeJP NA NA +PJ119252 TTTLMMHR C40H71N13O12S2 989.4787 NA PeJP NA NA +PJ119253 SDDRRRW C40H63N17O13 989.4792 NA PeJP NA NA +PJ119254 VLQQMWW C48H67N11O10S 989.4793 NA PeJP NA NA +PJ119255 PDKKMWW C48H67N11O10S 989.4794 NA PeJP NA NA +PJ119256 VHFFFFF C56H63N9O8 989.48 NA PeJP NA NA +PJ119257 SSPKKEEW C44H67N11O15 989.4818 NA PeJP NA NA +PJ119258 AAKKEEEW C44H67N11O15 989.4819 NA PeJP NA NA +PJ119259 NEEMRRR C37H67N17O13S 989.4825 NA PeJP NA NA +PJ119260 GGEEMRRR C37H67N17O13S 989.4826 NA PeJP NA NA +PJ119261 GPLQKMMW C45H71N11O10S2 989.4827 NA PeJP NA NA +PJ119262 GTERRWW C45H63N15O11 989.4832 NA PeJP NA NA +PJ119263 CLKFFFW C53H67N9O8S 989.4834 NA PeJP NA NA +PJ119264 ALLEEEMR C41H71N11O15S 989.4852 NA PeJP NA NA +PJ119265 SPPVLEYW C49H67N9O13 989.4859 NA PeJP NA NA +PJ119266 SLLKMMMH C42H75N11O10S3 989.4861 NA PeJP NA NA +PJ119267 NQQKMRW C42H67N15O11S 989.4865 NA PeJP NA NA +PJ119268 VNEMRRW C42H67N15O11S 989.4866 NA PeJP NA NA +PJ119269 KERWWW C50H63N13O9 989.4872 NA PeJP NA NA +PJ119270 SSQQQKER C38H67N15O16 989.489 NA PeJP NA NA +PJ119271 GSKEEERR C38H67N15O16 989.4891 NA PeJP NA NA +PJ119272 PTTLLEMW C46H71N9O13S 989.4892 NA PeJP NA NA +PJ119273 GLLLEEMW C46H71N9O13S 989.4893 NA PeJP NA NA +C05774 Cobinamide C48H72CoN11O8 989.4897 NA KEGG NA NA +MetaCyc04360 cobinamide [Cbi;cobyrinic acid a,c-diamide;] C48H72N11O8COBALT1 989.489734 1867-62-5 metacyc NA NA +HMDB06902 Cobinamide C48H72CoN11O8 989.489746 NA HMDB2010 NA NA +HMDB06902 Cobinamide C48H72CoN11O8 989.48975 http://www.hmdb.ca/metabolites/HMDB06902 HMDB NA NA +HMDB06902 Cobinamide C48H72CoN11O8 989.48975 HMDB06902 PFEM_hmdb_metabocards_official NA NA +PJ119274 GPDKMMRR C39H71N15O11S2 989.4899 NA PeJP NA NA +PJ119275 GGGGPCKKMR C39H71N15O11S2 989.49 NA PeJP NA NA +PJ119276 QQEHHRR C39H63N19O12 989.4904 NA PeJP NA NA +PJ119277 SPKMRWW C47H67N13O9S 989.4906 NA PeJP NA NA +PJ119278 VKWWWW C55H63N11O7 989.4912 NA PeJP NA NA +PJ119279 SVVVVTEEE C42H71N9O18 989.4917 NA PeJP NA NA +PJ119280 TLLKEEEE C42H71N9O18 989.4918 NA PeJP NA NA +PJ119281 PLLKEEMM C43H75N9O13S2 989.4926 NA PeJP NA NA +PJ119282 DKKEERW C43H67N13O14 989.4931 NA PeJP NA NA +PJ119283 CDERRRR C36H67N19O12S 989.4938 NA PeJP NA NA +PJ119284 AAPKMMRW C44H71N13O9S2 989.494 NA PeJP NA NA +PJ119285 VQQHHRW C44H63N17O10 989.4944 NA PeJP NA NA +PJ119286 SVLQQEMR C40H71N13O14S 989.4964 NA PeJP NA NA +PJ119287 GLQKEEMR C40H71N13O14S 989.4965 NA PeJP NA NA +PJ119288 VDKKEWW C48H67N11O12 989.4971 NA PeJP NA NA +PJ119289 PPCKKMMR C41H75N13O9S3 989.4973 NA PeJP NA NA +PJ119290 GEMRRRW C41H67N17O10S 989.4978 NA PeJP NA NA +PJ119291 TRRWWW C49H63N15O8 989.4984 NA PeJP NA NA +PJ119292 GSTEERRR C37H67N17O15 989.5003 NA PeJP NA NA +PJ119293 APTKKEMW C45H71N11O12S 989.5005 NA PeJP NA NA +PJ119294 PLLEFWW C53H67N9O10 989.5011 NA PeJP NA NA +PJ119295 GSPMMRRR C38H71N17O10S2 989.5012 NA PeJP NA NA +PJ119296 NDHHRRR C38H63N21O11 989.5016 NA PeJP NA NA +PJ119297 GGDHHRRR C38H63N21O11 989.5017 NA PeJP NA NA +PJ119298 GVMRRWW C46H67N15O8S 989.5018 NA PeJP NA NA +PJ119299 TTLLEEER C41H71N11O17 989.503 NA PeJP NA NA +7442 coeliac toxic peptide PLVQQQFLGQQQPFPPQ 989.5035 MH2+ Inhouse_peptide NA peptide +PJ119300 ASPPTKKMM C42H75N11O12S2 989.5038 NA PeJP NA NA +PJ119301 PTLLEMMR C42H75N11O12S2 989.5039 NA PeJP NA NA +PJ119302 SKEERRW C42H67N15O13 989.5043 NA PeJP NA NA +PJ119303 GGGGGGGGVLFR C42H67N15O13 989.5044 NA PeJP NA NA +PJ119304 LLLEMWW C50H71N9O10S 989.5045 NA PeJP NA NA +PJ119305 LMMHFRR C43H71N15O8S2 989.5052 NA PeJP NA NA +PJ119306 AQHHRRW C43H63N19O9 989.5057 NA PeJP NA NA +PJ119307 STLLLEEW C46H71N9O15 989.507 NA PeJP NA NA +PJ119308 AAKEEMRR C39H71N15O13S 989.5077 NA PeJP NA NA +PJ119309 SPLLLMMW C47H75N9O10S2 989.5079 NA PeJP NA NA +PJ119310 SVKERWW C47H67N13O11 989.5083 NA PeJP NA NA +PJ119311 GGGATKKWW C47H67N13O11 989.5084 NA PeJP NA NA +PJ119312 GPCKHHRR C40H67N19O9S 989.509 NA PeJP NA NA +PJ119313 VLLKEEEM C43H75N9O15S 989.5104 NA PeJP NA NA +PJ119314 AAPLLLMMM C44H79N9O10S3 989.5112 NA PeJP NA NA +PJ119315 GPVVLLMMM C44H79N9O10S3 989.5113 NA PeJP NA NA +PJ119316 SSSNQRRR C36H67N19O14 989.5115 NA PeJP NA NA +PJ119317 LQKEMRW C44H71N13O11S 989.5117 NA PeJP NA NA +PJ119318 ATLKWWW C52H67N11O9 989.5124 NA PeJP NA NA +PJ119319 MRRRWW C45H67N17O7S 989.5131 NA PeJP NA NA +PJ119320 ATKKEEER C40H71N13O16 989.5142 NA PeJP NA NA +PJ119321 APKKEMMR C41H75N13O11S2 989.5151 NA PeJP NA NA +PJ119322 QQQQFRR C41H67N17O12 989.5155 NA PeJP NA NA +PJ119323 STERRRW C41H67N17O12 989.5156 NA PeJP NA NA +PJ119324 VLQKMWW C49H71N11O9S 989.5157 NA PeJP NA NA +MJ099181 Glysperin A C44H75N7O18 989.516858 NA MeJP NA NA +PJ119325 GTLKKEEW C45H71N11O14 989.5182 NA PeJP NA NA +PJ119326 GGGGPLLKEY C45H71N11O14 989.5183 NA PeJP NA NA +PJ119327 DKEMRRR C38H71N17O12S 989.5189 NA PeJP NA NA +PJ119328 GPLKKMMW C46H75N11O9S2 989.5191 NA PeJP NA NA +PJ119329 SSLRRWW C46H67N15O10 989.5196 NA PeJP NA NA +PJ119330 SLLLEEMR C42H75N11O14S 989.5216 NA PeJP NA NA +PJ119331 LLQKYYY C50H71N9O12 989.5222 NA PeJP NA NA +PJ119332 GPLLLEYW C50H71N9O12 989.5223 NA PeJP NA NA +PJ119333 PVLLMMMR C43H79N11O9S3 989.5225 NA PeJP NA NA +PJ119334 VDKMRRW C43H71N15O10S 989.5229 NA PeJP NA NA +PJ119335 GATLMRRW C43H71N15O10S 989.523 NA PeJP NA NA +PJ119336 APKFRWW C51H67N13O8 989.5236 NA PeJP NA NA +PJ119337 SSVKEERR C39H71N15O15 989.5254 NA PeJP NA NA +PJ119338 ATTKEERR C39H71N15O15 989.5255 NA PeJP NA NA +PJ119339 SVLLLEMW C47H75N9O12S 989.5256 NA PeJP NA NA +PJ119340 APTKMMRR C40H75N15O10S2 989.5263 NA PeJP NA NA +PJ119341 NNQFRRR C40H67N19O11 989.5268 NA PeJP NA NA +PJ119342 ALKMRWW C48H71N13O8S 989.527 NA PeJP NA NA +PJ119343 SSSLLLLEE C43H75N9O17 989.5281 NA PeJP NA NA +PJ119344 LLLLQEMM C44H79N9O12S2 989.529 NA PeJP NA NA +PJ119345 GTTLKERW C44H71N13O13 989.5295 NA PeJP NA NA +PJ119346 SEMRRRR C37H71N19O11S 989.5302 NA PeJP NA NA +PJ119347 GPRRRYW C45H67N17O9 989.5308 NA PeJP NA NA +PJ119348 PTTKKEMR C41H75N13O13S 989.5328 NA PeJP NA NA +PJ119349 GLKKEEMR C41H75N13O13S 989.5329 NA PeJP NA NA +PJ119350 TLKKEWW C49H71N11O11 989.5335 NA PeJP NA NA +PJ119351 SVMRRRW C42H71N17O9S 989.5342 NA PeJP NA NA +MJ099182 Pregn-5-ene-3,8,12,14,17,20-hexol, 20-O-(2-Methylaminobenzoyl), 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C52H79NO17 989.5348 NA MeJP NA NA +PJ119352 SSSLERRR C38H71N17O14 989.5367 NA PeJP NA NA +PJ119353 GVLKKEMW C46H75N11O11S 989.5369 NA PeJP NA NA +PJ119354 PLLLYWW C54H71N9O9 989.5375 NA PeJP NA NA +PJ119355 LQMMRRR C39H75N17O9S2 989.5376 NA PeJP NA NA +PJ119356 TQHHRRR C39H67N21O10 989.538 NA PeJP NA NA +PJ119357 SSTTLLLQQ C42H75N11O16 989.5393 NA PeJP NA NA +PJ119358 SLKKKEEE C42H75N11O16 989.5394 NA PeJP NA NA +PJ119359 VVLLEMMR C43H79N11O11S2 989.5402 NA PeJP NA NA +PJ119360 GGGALLLKMM C43H79N11O11S2 989.5403 NA PeJP NA NA +PJ119361 GTTTLRRW C43H71N15O12 989.5407 NA PeJP NA NA +PJ119362 APLLLMFW C51H75N9O9S 989.5409 NA PeJP NA NA +PJ119363 AKHHRRW C44H67N19O8 989.542 NA PeJP NA NA +PJ119364 PVLLKEEY C47H75N9O14 989.5434 NA PeJP NA NA +PJ119365 GTLKEMRR C40H75N15O12S 989.5441 NA PeJP NA NA +PJ119366 ALLLLMMW C48H79N9O9S2 989.5443 NA PeJP NA NA +PJ119367 TTLKRWW C48H71N13O10 989.5447 NA PeJP NA NA +PJ119368 PCFRRRR C41H71N19O8S 989.5454 NA PeJP NA NA +PJ119369 GTTLLLLEM C44H79N9O14S 989.5468 NA PeJP NA NA +PJ119370 SSSNKRRR C37H71N19O13 989.5479 NA PeJP NA NA +PJ119371 LKKEMRW C45H75N13O10S 989.5481 NA PeJP NA NA +PJ119372 PVKKFWW C53H71N11O8 989.5488 NA PeJP NA NA +PJ119373 STLKKEER C41H75N13O15 989.5506 NA PeJP NA NA +PJ119374 SPLKKMMR C42H79N13O10S2 989.5515 NA PeJP NA NA +PJ119375 PDKRRRY C42H71N17O11 989.5519 NA PeJP NA NA +PJ119376 GGLEFRRR C42H71N17O11 989.552 NA PeJP NA NA +PJ119377 VLKKMWW C50H75N11O8S 989.5521 NA PeJP NA NA +PJ119378 SSLLKKEW C46H75N11O13 989.5546 NA PeJP NA NA +PJ119379 GTTLMRRR C39H75N17O11S 989.5553 NA PeJP NA NA +PJ119380 PTKFRRW C47H71N15O9 989.556 NA PeJP NA NA +PJ119381 VVKKKEEM C43H79N11O13S 989.558 NA PeJP NA NA +PJ119382 SPVLLLYW C51H75N9O11 989.5586 NA PeJP NA NA +PJ119383 GLLLLEFW C51H75N9O11 989.5587 NA PeJP NA NA +PJ119384 TLKMRRW C44H75N15O9S 989.5593 NA PeJP NA NA +PJ119385 STTLKERR C40H75N15O14 989.5618 NA PeJP NA NA +PJ119386 GGGGGSSKKKK C40H75N15O14 989.5619 NA PeJP NA NA +PJ119387 TTLLLLMW C48H79N9O11S 989.562 NA PeJP NA NA +PJ119388 GVLKMMRR C41H79N15O9S2 989.5627 NA PeJP NA NA +C15183 AP 23573 C53H84NO14P 989.5629 NA KEGG NA NA +PJ119389 SPRRRRY C41H71N19O10 989.5632 NA PeJP NA NA +PJ119390 STTTLLLLE C44H79N9O16 989.5645 NA PeJP NA NA +PJ119391 LLLLKEMM C45H83N9O11S2 989.5654 NA PeJP NA NA +PJ119392 ATTQKKKW C45H75N13O12 989.5658 NA PeJP NA NA +PJ119393 SSTLLKRW C45H75N13O12 989.5659 NA PeJP NA NA +PJ119394 GSCKKRRR C38H75N19O10S 989.5666 NA PeJP NA NA +PJ119395 GLFRRRW C46H71N17O8 989.5672 NA PeJP NA NA +PJ119396 SVLKKEMR C42H79N13O12S 989.5692 NA PeJP NA NA +PJ119397 GPVLKKYW C50H75N11O10 989.5699 NA PeJP NA NA +PJ119398 PKMFRRR C43H75N17O8S 989.5706 NA PeJP NA NA +PJ119399 STTTLRRR C39H75N17O13 989.5731 NA PeJP NA NA +PJ119400 ATLLKKMW C47H79N11O10S 989.5733 NA PeJP NA NA +PJ119401 LLLLFWW C55H75N9O8 989.5739 NA PeJP NA NA +PJ119402 TKHHRRR C40H71N21O9 989.5744 NA PeJP NA NA +2586 tenecin-1 (33-43) YCNGKRVCVCR~ 989.5749 NA Inhouse_peptide NA peptide +PJ119403 GTTTLLKKE C43H79N11O15 989.5757 NA PeJP NA NA +PJ119404 ASTTLLKKE C43H79N11O15 989.5758 NA PeJP NA NA +PJ119405 TLLLLMMR C44H83N11O10S2 989.5766 NA PeJP NA NA +PJ119406 GSTKKKRW C44H75N15O11 989.5771 NA PeJP NA NA +PJ119407 VLLLLQEY C48H79N9O13 989.5798 NA PeJP NA NA +PJ119408 SSLLKMRR C41H79N15O11S 989.5805 NA PeJP NA NA +PJ119409 SKKKKWW C49H75N13O9 989.5811 NA PeJP NA NA +PJ119410 SSTLLLLLM C45H83N9O13S 989.5831 NA PeJP NA NA +PJ119411 AAKKKKMW C46H79N13O9S 989.5845 NA PeJP NA NA +PJ119412 SSSSLLLKR C42H79N13O14 989.587 NA PeJP NA NA +PJ119413 ALLKKMMR C43H83N13O9S2 989.5879 NA PeJP NA NA +PJ119414 VLQRRRY C43H75N17O10 989.5883 NA PeJP NA NA +PJ119415 TTTLLKKW C47H79N11O12 989.591 NA PeJP NA NA +PJ119416 GSKKKMRR C40H79N17O10S 989.5917 NA PeJP NA NA +PJ119417 VVKFRRW C48H75N15O8 989.5923 NA PeJP NA NA +PJ119418 TLLKKKEM C44H83N11O12S 989.5944 NA PeJP NA NA +PJ119419 GLLLLLYW C52H79N9O10 989.595 NA PeJP NA NA +PJ119420 SSKKKKER C41H79N15O13 989.5982 NA PeJP NA NA +PJ119421 PLLLLKMY C49H83N9O10S 989.5984 NA PeJP NA NA +PJ119422 ALRRRRY C42H75N19O9 989.5996 NA PeJP NA NA +PJ119423 ATTKKKKW C46H79N13O11 989.6022 NA PeJP NA NA +PJ119424 GGALLLKRY C46H79N13O11 989.6023 NA PeJP NA NA +PJ119425 TTLLKKMR C43H83N13O11S 989.6056 NA PeJP NA NA +PJ119426 GVLLKKFW C51H79N11O9 989.6063 NA PeJP NA NA +MJ099183 Sphinxolide A C54H87NO15 989.607571 NA MeJP NA NA +PJ119427 SSTKKKRR C40H79N17O12 989.6095 NA PeJP NA NA +PJ119428 VVLLLMFR C48H83N11O9S 989.6096 NA PeJP NA NA +PJ119429 PLHRRRR C41H75N21O8 989.6108 NA PeJP NA NA +PJ119430 SSTTLLLKK C44H83N11O14 989.6121 NA PeJP NA NA +PJ119431 VLLKKKMM C45H87N11O9S2 989.613 NA PeJP NA NA +PJ119432 AALLKRRY C45H79N15O10 989.6135 NA PeJP NA NA +PJ119433 VLLLLKEY C49H83N9O12 989.6162 NA PeJP NA NA +PJ119434 SCLKKKKR C42H83N15O10S 989.6168 NA PeJP NA NA +PJ119435 ATKKKKMR C42H83N15O10S 989.6169 NA PeJP NA NA +PJ119436 LLKKFRW C50H79N13O8 989.6175 NA PeJP NA NA +PJ119437 TTKKKKKE C43H83N13O13 989.6234 NA PeJP NA NA +PJ119438 VLKRRRY C44H79N17O9 989.6247 NA PeJP NA NA +PJ119439 SLLLLLRY C48H83N11O11 989.6274 NA PeJP NA NA +PJ119440 PLLLLKFF C53H83N9O9 989.6314 NA PeJP NA NA +PJ119441 TTTKKKKR C42H83N15O12 989.6346 NA PeJP NA NA +PJ119442 LLLLLKMF C50H87N9O9S 989.6348 NA PeJP NA NA +PJ119443 GLLLKKRY C47H83N13O10 989.6386 NA PeJP NA NA +PJ119444 SLKKKKKM C44H87N13O10S 989.642 NA PeJP NA NA +PJ119445 GVKKKKFR C46H83N15O9 989.6499 NA PeJP NA NA +PJ119446 KKKKFRR C45H83N17O8 989.6611 NA PeJP NA NA +PJ119447 VVLLKKKY C49H87N11O10 989.6638 NA PeJP NA NA +PJ119448 LLLLLLHR C48H87N13O9 989.675 NA PeJP NA NA +PJ119449 PPVLLLLLL C51H91N9O10 989.6889 NA PeJP NA NA +PJ119450 CCCCCCCNH C31H50N12O11S7 990.1767 NA PeJP NA NA +PJ119451 GGCCCCCCCH C31H50N12O11S7 990.1768 NA PeJP NA NA +FL3FACGS0085 Luteorin 7-(2''-feruloylglucuronosyl)-(1->2)-glucuronide-4'-glucuronide;2-[4-(beta-D-Glucopyranuronosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid C43H42O27 990.19134 332422-35-2 knapsack NA NA +PJ119452 GPPCCCCCCC C33H54N10O11S7 990.2019 NA PeJP NA NA +PJ119453 CCCCCNNND C31H50N12O15S5 990.2123 NA PeJP NA NA +PJ119454 SCCCCNDDE C32H50N10O18S4 990.2188 NA PeJP NA NA +PJ119455 PCCCCCNDM C33H54N10O13S6 990.2197 NA PeJP NA NA +PJ119456 CCCCCMYY C38H54N8O11S6 990.2237 NA PeJP NA NA +PJ119457 GSCCCCDDW C36H50N10O15S4 990.234 NA PeJP NA NA +PJ119458 APCCCCCCW C37H54N10O10S6 990.2349 NA PeJP NA NA +PJ119459 GSSSCCCDDD C32H50N10O20S3 990.2365 NA PeJP NA NA +PJ119460 GCCCNDDMM C33H54N10O15S5 990.2374 NA PeJP NA NA +PJ119461 GCCCCCDER C32H54N12O14S5 990.2486 NA PeJP NA NA +PJ119462 ACCCCCDDR C32H54N12O14S5 990.2487 NA PeJP NA NA +PJ119463 GCCCNDDDF C36H50N10O17S3 990.2518 NA PeJP NA NA +PJ119464 CCCCNEMW C37H54N10O12S5 990.2527 NA PeJP NA NA +PJ119465 SSCCCNDEM C33H54N10O17S4 990.2552 NA PeJP NA NA +PJ119466 SPCCCCNMM C34H58N10O12S6 990.256 NA PeJP NA NA +PJ119467 GCCCCNDHH C34H50N14O13S4 990.2565 NA PeJP NA NA +PJ119468 CCCCCFFY C42H54N8O10S5 990.2567 NA PeJP NA NA +PJ119469 CDDDDDMY C37H50N8O20S2 990.2583 NA PeJP NA NA +PJ119470 CDDDMMMM C35H58N8O15S5 990.2626 NA PeJP NA NA +PJ119471 CCCCCDRW C36H54N12O11S5 990.2639 NA PeJP NA NA +PJ119472 SSCCCCDDR C32H54N12O16S4 990.2664 NA PeJP NA NA +PJ119473 PTCCCCCCR C33H58N12O11S6 990.2673 NA PeJP NA NA +PJ119474 GCCCCMWW C41H54N10O9S5 990.2679 NA PeJP NA NA +PJ119475 GSCCNDDDY C36H50N10O19S2 990.2696 NA PeJP NA NA +PJ119476 GSSCCCDMW C37H54N10O14S4 990.2704 NA PeJP NA NA +PJ119477 GSSSSCCDDM C33H54N10O19S3 990.2729 NA PeJP NA NA +PJ119478 GSCCNDMMM C34H58N10O14S5 990.2738 NA PeJP NA NA +PJ119479 ACCCCYYY C42H54N8O12S4 990.2744 NA PeJP NA NA +PJ119480 CDDDDMMF C38H54N8O17S3 990.277 NA PeJP NA NA +MJ099184 Namenamicin C43H62N2O14S5 990.280458 NA MeJP NA NA +PJ119481 ACCCCNNNF C36H54N12O13S4 990.2816 NA PeJP NA NA +PJ119482 GCCCCNNQF C36H54N12O13S4 990.2817 NA PeJP NA NA +PJ119483 SSSSSCCCNN C32H54N12O18S3 990.2841 NA PeJP NA NA +PJ119484 GGSSSSSCCCN C32H54N12O18S3 990.2842 NA PeJP NA NA +PJ119485 GSCCCCEMR C33H58N12O13S5 990.285 NA PeJP NA NA +PJ119486 STCCCCWW C41H54N10O11S4 990.2857 NA PeJP NA NA +PJ119487 DDDDDEMH C36H50N10O21S 990.2873 NA PeJP NA NA +PJ119488 SSSSCCCEW C37H54N10O16S3 990.2882 NA PeJP NA NA +PJ119489 SCCCQMMW C38H58N10O11S5 990.289 NA PeJP NA NA +PJ119490 GGTCCCMMW C38H58N10O11S5 990.2891 NA PeJP NA NA +PJ119491 SSSSSSCCDE C33H54N10O21S2 990.2907 NA PeJP NA NA +PJ119492 CDDDDDFF C41H50N8O19S 990.2913 NA PeJP NA NA +PJ119493 SSSCCNEMM C34H58N10O16S4 990.2915 NA PeJP NA NA +PJ119494 GGSSSCCEMM C34H58N10O16S4 990.2916 NA PeJP NA NA +PJ119495 GCCNNNDDH C34H50N14O17S2 990.292 NA PeJP NA NA +PJ119496 GGGGGGGCCDDH C34H50N14O17S2 990.2921 NA PeJP NA NA +PJ119497 SSCCCYYY C42H54N8O14S3 990.2922 NA PeJP NA NA +PJ119498 CCNQMMMM C35H62N10O11S6 990.2924 NA PeJP NA NA +PJ119499 GSCCCNMHH C35H54N14O12S4 990.2929 NA PeJP NA NA +PJ119500 SDDDDMMY C38H54N8O19S2 990.2947 NA PeJP NA NA +PJ119501 PCCDEMMY C39H58N8O14S4 990.2956 NA PeJP NA NA +PJ119502 CCDDDHHF C39H50N12O15S2 990.2961 NA PeJP NA NA +PJ119503 ASCNDDDDH C35H50N12O20S 990.2985 NA PeJP NA NA +PJ119504 GSCNDDDEH C35H50N12O20S 990.2986 NA PeJP NA NA +PJ119505 SDDMMMMM C36H62N8O14S5 990.2989 NA PeJP NA NA +PJ119506 CCCNDDRY C36H54N12O15S3 990.2994 NA PeJP NA NA +PJ119507 SCCCCMRW C37H58N12O10S5 990.3003 NA PeJP NA NA +PJ119508 CCCDHHHH C37H50N16O11S3 990.3008 NA PeJP NA NA +PJ119509 SSSCCCDMR C33H58N12O15S4 990.3028 NA PeJP NA NA +PJ119510 GCCNDMYW C41H54N10O13S3 990.3034 NA PeJP NA NA +PJ119511 CCCNMMMR C34H62N12O10S6 990.3037 NA PeJP NA NA +PJ119512 GPNDDDDDE C36H50N10O23 990.3051 NA PeJP NA NA +PJ119513 GSSCNDDMY C37H54N10O18S2 990.3059 NA PeJP NA NA +PJ119514 GSSSCCMMW C38H58N10O13S4 990.3068 NA PeJP NA NA +PJ119515 GDDDDEYY C41H50N8O21 990.3091 NA PeJP NA NA +PJ119516 GSSSSSCDMM C34H58N10O18S3 990.3093 NA PeJP NA NA +PJ119517 PCCDDEFY C42H54N8O16S2 990.31 NA PeJP NA NA +PJ119518 GSSCNMMMM C35H62N10O13S5 990.3102 NA PeJP NA NA +PJ119519 SSSCCCQHH C35H54N14O14S3 990.3106 NA PeJP NA NA +PJ119520 GGSSTCCCHH C35H54N14O14S3 990.3107 NA PeJP NA NA +PJ119521 GDDEMMMY C39H58N8O16S3 990.3133 NA PeJP NA NA +PJ119522 SCNDDDHW C39H50N12O17S 990.3138 NA PeJP NA NA +PJ119523 PCCEMMMF C40H62N8O11S5 990.3142 NA PeJP NA NA +PJ119524 PCCCNEHW C40H54N12O12S3 990.3147 NA PeJP NA NA +PJ119525 SSSNDDDDH C35H50N12O22 990.3163 NA PeJP NA NA +PJ119526 SSSCCNNNY C36H54N12O17S2 990.3172 NA PeJP NA NA +PJ119527 GEMMMMMM C37H66N8O11S6 990.3176 NA PeJP NA NA +PJ119528 GSPCCCCRY C37H58N12O12S4 990.318 NA PeJP NA NA +PJ119529 GGCCCDMFR C37H58N12O12S4 990.3181 NA PeJP NA NA +PJ119530 CCCQYWW C45H54N10O10S3 990.3187 NA PeJP NA NA +PJ119531 PNDDDDDW C40H50N10O20 990.3203 NA PeJP NA NA +PJ119532 SSCCNEYW C41H54N10O15S2 990.3212 NA PeJP NA NA +PJ119533 GSTCCCMMR C34H62N12O12S5 990.3214 NA PeJP NA NA +PJ119534 GCCNMMFW C42H58N10O10S4 990.3221 NA PeJP NA NA +PJ119535 SSSSCNDEY C37H54N10O20S 990.3237 NA PeJP NA NA +PJ119536 DDDDYYW C45H50N8O18 990.3243 NA PeJP NA NA +PJ119537 SSSSTCCMW C38H58N10O15S3 990.3246 NA PeJP NA NA +PJ119538 CCNYYYY C46H54N8O13S2 990.3252 NA PeJP NA NA +PJ119539 SCCCKMMW C39H62N10O10S5 990.3254 NA PeJP NA NA +PJ119540 CCCNQHHF C39H54N14O11S3 990.3259 NA PeJP NA NA +PJ119541 SSSSSSSCEM C34H58N10O20S2 990.3271 NA PeJP NA NA +C01936 Maltohexaose C36H62O31 990.3275 NA KEGG NA NA +C06217 Cellohexaose C36H62O31 990.3275 NA KEGG NA NA +C08238 alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1- C36H62O31 990.3275 NA KEGG NA NA +PJ119542 GNNNNNDDD C34H50N14O21 990.3275 NA PeJP NA NA +MJ099185 Ajugose C36H62O31 990.327505 NA MeJP NA NA +MJ099186 Cellohexaose C36H62O31 990.327505 NA MeJP NA NA +MJ099187 Kojihexaose C36H62O31 990.327505 NA MeJP NA NA +MJ099188 Lasiose C36H62O31 990.327505 NA MeJP NA NA +MJ099189 Cellohexaose C36H62O31 990.327505 NA MeJP NA NA +MetaCyc04361 maltohexaose [] C36H62O31 990.327505 34620-77-4 metacyc NA NA +HMDB12253 Maltohexaose C36H62O31 990.327515 NA HMDB2010 NA NA +PJ119543 GGGGGNNNDDD C34H50N14O21 990.3276 NA PeJP NA NA +PJ119544 SPCDDEYY C42H54N8O18S 990.3277 NA PeJP NA NA +PJ119545 SSSSCQMMM C35H62N10O15S4 990.3279 NA PeJP NA NA +PJ119546 CCNDDEHR C35H54N14O16S2 990.3284 NA PeJP NA NA +PJ119547 DDMMMYW C43H58N8O13S3 990.3286 NA PeJP NA NA +PJ119548 CCNKMMMM C36H66N10O10S6 990.3288 NA PeJP NA NA +PJ119549 GTCCCCKHH C36H58N14O11S4 990.3293 NA PeJP NA NA +PJ119550 GPCCCHWW C44H54N12O9S3 990.3299 NA PeJP NA NA +PJ119551 PDDEEEEE C38H54N8O23 990.3302 NA PeJP NA NA +PJ119552 SSDEEMMY C39H58N8O18S2 990.3311 NA PeJP NA NA +PJ119553 NNDDDDHF C39H50N12O19 990.3316 NA PeJP NA NA +PJ119554 SPCEMMMY C40H62N8O13S4 990.3319 NA PeJP NA NA +PJ119555 PTCDMMMY C40H62N8O13S4 990.332 NA PeJP NA NA +PJ119556 GCNDEMHW C40H54N12O14S2 990.3324 NA PeJP NA NA +PJ119557 GGGGGGGGCCFY C40H54N12O14S2 990.3325 NA PeJP NA NA +PJ119558 MMMMMMW C41H66N8O8S6 990.3328 NA PeJP NA NA +PJ119559 ACCCCFRW C41H58N12O9S4 990.3333 NA PeJP NA NA +PJ119560 GSSNDDEMH C36H54N12O19S 990.3349 NA PeJP NA NA +PJ119561 GGGGGPNDDDM C36H54N12O19S 990.335 NA PeJP NA NA +PJ119562 STEMMMMM C37H66N8O13S5 990.3353 NA PeJP NA NA +PJ119563 SCCNDMRY C37H58N12O14S3 990.3358 NA PeJP NA NA +PJ119564 CNNDDHHH C37H50N16O15S 990.3363 NA PeJP NA NA +PJ119565 GSSCCYWW C45H54N10O12S2 990.3364 NA PeJP NA NA +PJ119566 GCCNDFFW C45H54N10O12S2 990.3365 NA PeJP NA NA +PJ119567 ACMMMMHH C38H62N12O9S5 990.3367 NA PeJP NA NA +PJ119568 SCCMHHHH C38H54N16O10S3 990.3371 NA PeJP NA NA +PJ119569 GSSSSCDYW C41H54N10O17S 990.3389 NA PeJP NA NA +PJ119570 GSPPCDDDW C41H54N10O17S 990.339 NA PeJP NA NA +PJ119571 SSSSCCMMR C34H62N12O14S4 990.3392 NA PeJP NA NA +PJ119572 GSCNMMYW C42H58N10O12S3 990.3398 NA PeJP NA NA +PJ119573 GSSSSSSDDY C37H54N10O22 990.3414 NA PeJP NA NA +PJ119574 GSPNDDEEE C37H54N10O22 990.3415 NA PeJP NA NA +PJ119575 GSSSNDMMY C38H58N10O17S2 990.3423 NA PeJP NA NA +PJ119576 SDDDEHHH C38H50N14O18 990.3428 NA PeJP NA NA +PJ119577 DDDMFYW C46H54N8O15S 990.343 NA PeJP NA NA +PJ119578 GNNMMMMY C39H62N10O12S4 990.3432 NA PeJP NA NA +PJ119579 GCCDDHRW C39H54N14O13S2 990.3437 NA PeJP NA NA +PJ119580 GSDEEEYY C42H54N8O20 990.3455 NA PeJP NA NA +PJ119581 GSSSSSSMMM C35H62N10O17S3 990.3457 NA PeJP NA NA +PJ119582 SSSCNNNEH C35H54N14O18S 990.3461 NA PeJP NA NA +PJ119583 GSSCDDDHR C35H54N14O18S 990.3462 NA PeJP NA NA +PJ119584 GPDDMMYY C43H58N8O15S2 990.3463 NA PeJP NA NA +PJ119585 GDDEMMFF C43H58N8O15S2 990.3464 NA PeJP NA NA +PJ119586 GSTCCKMMM C36H66N10O12S5 990.3466 NA PeJP NA NA +PJ119587 GSPCCCEHR C36H58N14O13S3 990.347 NA PeJP NA NA +PJ119588 GGGGGGGACMMH C36H58N14O13S3 990.3471 NA PeJP NA NA +PJ119589 DMMMMFW C44H62N8O10S4 990.3472 NA PeJP NA NA +PJ119590 CNDMHWW C44H54N12O11S2 990.3477 NA PeJP NA NA +PJ119591 GTEEMMMY C40H62N8O15S3 990.3497 NA PeJP NA NA +PJ119592 SSNDDMHW C40H54N12O16S 990.3502 NA PeJP NA NA +PJ119593 GPMMMMMY C41H66N8O10S5 990.3506 NA PeJP NA NA +PJ119594 ASCCCRYW C41H58N12O11S3 990.351 NA PeJP NA NA +PJ119595 GTCCCRYW C41H58N12O11S3 990.3511 NA PeJP NA NA +PJ119596 GSPDDDDDR C36H54N12O21 990.3527 NA PeJP NA NA +PJ119597 SSSPCNEMH C37H58N12O16S2 990.3535 NA PeJP NA NA +PJ119598 GSSSCCERY C37H58N12O16S2 990.3536 NA PeJP NA NA +PJ119599 SVMMMMMM C38H70N8O10S6 990.354 NA PeJP NA NA +PJ119600 CNNEYYW C45H54N10O14S 990.3542 NA PeJP NA NA +PJ119601 GCCQMMRY C38H62N12O11S4 990.3544 NA PeJP NA NA +PJ119602 GSPCCNHHH C38H54N16O12S2 990.3549 NA PeJP NA NA +PJ119603 CCCKYWW C46H58N10O9S3 990.3551 NA PeJP NA NA +PJ119604 SPNDDEEW C41H54N10O19 990.3567 NA PeJP NA NA +PJ119605 GCNNNNNNQ C34H54N16O17S 990.3574 NA PeJP NA NA +PJ119606 SSSCQMYW C42H58N10O14S2 990.3576 NA PeJP NA NA +PJ119607 CCNNNMHR C35H58N16O12S3 990.3583 NA PeJP NA NA +PJ119608 ACCCKMFW C43H62N10O9S4 990.3584 NA PeJP NA NA +PJ119609 VCCCCKFW C43H62N10O9S4 990.3585 NA PeJP NA NA +PJ119610 SSSSSNEMY C38H58N10O19S 990.3601 NA PeJP NA NA +PJ119611 SDEEYYW C46H54N8O17 990.3607 NA PeJP NA NA +PJ119612 SSNQMMMY C39H62N10O14S3 990.3609 NA PeJP NA NA +PJ119613 GGGGSTMMMY C39H62N10O14S3 990.361 NA PeJP NA NA +PJ119614 GSSSCNNHW C39H54N14O15S 990.3614 NA PeJP NA NA +PJ119615 GGGGGGGGCEHF C39H54N14O15S 990.3615 NA PeJP NA NA +PJ119616 PCEMYYW C47H58N8O12S2 990.3616 NA PeJP NA NA +PJ119617 SPCCCHRW C40H58N14O10S3 990.3623 NA PeJP NA NA +PJ119618 ACCHWWW C48H54N12O8S2 990.3629 NA PeJP NA NA +PJ119619 SSSSSSSTMM C35H62N10O19S2 990.3634 NA PeJP NA NA +PJ119620 NNNDDDER C35H54N14O20 990.3639 NA PeJP NA NA +PJ119621 GGGGGGDDDER C35H54N14O20 990.364 NA PeJP NA NA +PJ119622 QEEEMYY C43H58N8O17S 990.3641 NA PeJP NA NA +PJ119623 SSSSCKMMM C36H66N10O14S4 990.3643 NA PeJP NA NA +PJ119624 SCNDEMHR C36H58N14O15S2 990.3648 NA PeJP NA NA +PJ119625 TEMMMYW C44H62N8O12S3 990.365 NA PeJP NA NA +PJ119626 GSSCEHWW C44H54N12O13S 990.3654 NA PeJP NA NA +PJ119627 GGGGGPCDWW C44H54N12O13S 990.3655 NA PeJP NA NA +PJ119628 GCCCMRRY C37H62N14O10S4 990.3657 NA PeJP NA NA +PJ119629 CMMHHFW C45H58N12O8S3 990.3663 NA PeJP NA NA +PJ119630 PTEEEEEE C39H58N8O22 990.3666 NA PeJP NA NA +PJ119631 STTEEMMY C40H62N8O17S2 990.3675 NA PeJP NA NA +PJ119632 GSSSSDEHW C40H54N12O18 990.3679 NA PeJP NA NA +PJ119633 GGGNNEEEW C40H54N12O18 990.368 NA PeJP NA NA +PJ119634 GVEMMMMY C41H66N8O12S4 990.3683 NA PeJP NA NA +PJ119635 SSSCCRYW C41H58N12O13S2 990.3688 NA PeJP NA NA +PJ119636 GCNYYWW C49H54N10O11S 990.3695 NA PeJP NA NA +PJ119637 ACCHHHHF C42H54N16O9S2 990.3702 NA PeJP NA NA +PJ119638 SSSSSCDRY C37H58N12O18S 990.3713 NA PeJP NA NA +PJ119639 GSPDDEWW C45H54N10O16 990.372 NA PeJP NA NA +PJ119640 SSCNMMRY C38H62N12O13S3 990.3722 NA PeJP NA NA +PJ119641 SNNDMHHH C38H54N16O14S 990.3727 NA PeJP NA NA +PJ119642 GPPCDMWW C46H58N10O11S2 990.3728 NA PeJP NA NA +PJ119643 GGGGPCCFFF C46H58N10O11S2 990.3729 NA PeJP NA NA +PJ119644 SSNNNNNNN C34H54N16O19 990.3751 NA PeJP NA NA +PJ119645 GGGGSSNNNNN C34H54N16O19 990.3752 NA PeJP NA NA +PJ119646 GSSSSSMYW C42H58N10O16S 990.3753 NA PeJP NA NA +PJ119647 GGGPEEEMW C42H58N10O16S 990.3754 NA PeJP NA NA +PJ119648 DDDFFFW C50H54N8O14 990.376 NA PeJP NA NA +PJ119649 GGGGGGGPCCNR C35H58N16O14S2 990.3761 NA PeJP NA NA +PJ119650 GTCCKMYW C43H62N10O11S3 990.3762 NA PeJP NA NA +PJ119651 GCNNNHFW C43H54N14O12S 990.3767 NA PeJP NA NA +PJ119652 GSSSSSSTEY C38H58N10O21 990.3778 NA PeJP NA NA +PJ119653 GAAQEEEEE C38H58N10O21 990.3779 NA PeJP NA NA +PJ119654 GSSSTQMMY C39H62N10O16S2 990.3787 NA PeJP NA NA +PJ119655 GNNDDDRW C39H54N14O17 990.3792 NA PeJP NA NA +PJ119656 AEEMYYW C47H58N8O14S 990.3794 NA PeJP NA NA +PJ119657 EMMMMRY C40H66N10O11S4 990.3796 NA PeJP NA NA +PJ119658 ASCCEHRW C40H58N14O12S2 990.38 NA PeJP NA NA +PJ119659 GSCDMHRW C40H58N14O12S2 990.3801 NA PeJP NA NA +PJ119660 PPCCMFFF C48H62N8O9S3 990.3802 NA PeJP NA NA +PJ119661 GDDHHHHH C40H50N18O13 990.3805 NA PeJP NA NA +PJ119662 SSCHWWW C48H54N12O10S 990.3807 NA PeJP NA NA +PJ119663 ASTEEEYY C43H58N8O19 990.3818 NA PeJP NA NA +PJ119664 GTTEEEYY C43H58N8O19 990.3819 NA PeJP NA NA +PJ119665 SSSSNNQMH C36H58N14O17S 990.3825 NA PeJP NA NA +PJ119666 PCDDDDRR C36H58N14O17S 990.3826 NA PeJP NA NA +PJ119667 GPTEMMYY C44H62N8O14S2 990.3827 NA PeJP NA NA +PJ119668 SSSSDHWW C44H54N12O15 990.3832 NA PeJP NA NA +PJ119669 STCCCRRY C37H62N14O12S3 990.3834 NA PeJP NA NA +PJ119670 VMMMMYW C45H66N8O9S4 990.3836 NA PeJP NA NA +PJ119671 SNMMHWW C45H58N12O10S2 990.3841 NA PeJP NA NA +PJ119672 PVEEEEEM C40H62N8O19S 990.3852 NA PeJP NA NA +PJ119673 SSLEMMMY C41H66N8O14S3 990.3861 NA PeJP NA NA +PJ119674 GPDDDMRW C41H58N12O15S 990.3866 NA PeJP NA NA +PJ119675 GLMMMMMF C42H70N8O9S5 990.387 NA PeJP NA NA +PJ119676 SPDDWWW C49H54N10O13 990.3872 NA PeJP NA NA +PJ119677 QQMMMHW C42H62N12O10S3 990.3874 NA PeJP NA NA +PJ119678 AAAACMMHW C42H62N12O10S3 990.3875 NA PeJP NA NA +PJ119679 GSCQHHHW C42H54N16O11S 990.3879 NA PeJP NA NA +PJ119680 GNEEEEER C37H58N12O20 990.3891 NA PeJP NA NA +PJ119681 GSSSTCMRY C38H62N12O15S2 990.3899 NA PeJP NA NA +PJ119682 ASPPCDDMR C38H62N12O15S2 990.39 NA PeJP NA NA +PJ119683 GSSSNEHHH C38H54N16O16 990.3904 NA PeJP NA NA +PJ119684 PNEEMWW C46H58N10O13S 990.3906 NA PeJP NA NA +PJ119685 GCCKMMRY C39H66N12O10S4 990.3908 NA PeJP NA NA +PJ119686 GNQMMHHH C39H58N16O11S2 990.3913 NA PeJP NA NA +PJ119687 SSSSSSTYW C42H58N10O18 990.3931 NA PeJP NA NA +PJ119688 SSSSCNNHR C35H58N16O16S 990.3938 NA PeJP NA NA +PJ119689 QQQMMYY C43H62N10O13S2 990.3939 NA PeJP NA NA +PJ119690 SSSCKMYW C43H62N10O13S2 990.394 NA PeJP NA NA +PJ119691 GSNNNNWW C43H54N14O14 990.3944 NA PeJP NA NA +PJ119692 GGGGGGGSNWW C43H54N14O14 990.3945 NA PeJP NA NA +PJ119693 PPCYYYW C51H58N8O11S 990.3946 NA PeJP NA NA +PJ119694 GCCEMHRR C36H62N16O11S3 990.3947 NA PeJP NA NA +PJ119695 TCCHRWW C44H58N14O9S2 990.3953 NA PeJP NA NA +PJ119696 SSSSTTQMY C39H62N10O18S 990.3964 NA PeJP NA NA +PJ119697 SSSSSDKMY C39H62N10O18S 990.3965 NA PeJP NA NA +PJ119698 TTEEYYW C47H58N8O16 990.3971 NA PeJP NA NA +PJ119699 SSNKMMMY C40H66N10O13S3 990.3973 NA PeJP NA NA +PJ119700 GGAAPPEMMM C40H66N10O13S3 990.3974 NA PeJP NA NA +PJ119701 SSSCEHRW C40H58N14O14S 990.3978 NA PeJP NA NA +PJ119702 PTMMYYW C48H62N8O11S2 990.398 NA PeJP NA NA +PJ119703 GNNEWWW C48H54N12O12 990.3985 NA PeJP NA NA +PJ119704 CQMMHRW C41H62N14O9S3 990.3987 NA PeJP NA NA +PJ119705 SPCHHHHH C41H54N18O10S 990.3992 NA PeJP NA NA +PJ119706 GDDDEERR C36H58N14O19 990.4003 NA PeJP NA NA +PJ119707 KEEEMYY C44H62N8O16S 990.4005 NA PeJP NA NA +PJ119708 SSNEMMHR C37H62N14O14S2 990.4012 NA PeJP NA NA +PJ119709 GPVMMMYY C45H66N8O11S3 990.4014 NA PeJP NA NA +PJ119710 NNNNNQHH C37H54N18O15 990.4016 NA PeJP NA NA +PJ119711 GGGGNNNQHH C37H54N18O15 990.4017 NA PeJP NA NA +PJ119712 PCDERWW C45H58N12O12S 990.4018 NA PeJP NA NA +PJ119713 GGGGGGPPCFW C45H58N12O12S 990.4019 NA PeJP NA NA +PJ119714 GCNMHHHR C38H58N18O10S2 990.4025 NA PeJP NA NA +PJ119715 VVEEEEEE C40H62N8O21 990.403 NA PeJP NA NA +PJ119716 NEEEERW C41H58N12O17 990.4043 NA PeJP NA NA +PJ119717 GGGGGDKEEW C41H58N12O17 990.4044 NA PeJP NA NA +PJ119718 ATLMMMMY C42H70N8O11S4 990.4047 NA PeJP NA NA +PJ119719 SPPCDMRW C42H62N12O12S2 990.4052 NA PeJP NA NA +PJ119720 SSSNHHHW C42H54N16O13 990.4057 NA PeJP NA NA +PJ119721 APDMWWW C50H58N10O10S 990.4058 NA PeJP NA NA +PJ119722 GPEMWWW C50H58N10O10S 990.4059 NA PeJP NA NA +PJ119723 SSSSSSMRY C38H62N12O17S 990.4077 NA PeJP NA NA +PJ119724 ASSPEEWW C46H58N10O15 990.4083 NA PeJP NA NA +PJ119725 VNEEEWW C46H58N10O15 990.4084 NA PeJP NA NA +PJ119726 STCCKMRY C39H66N12O12S3 990.4086 NA PeJP NA NA +PJ119727 GCNNNQRW C39H58N16O13S 990.409 NA PeJP NA NA +PJ119728 GGGGGCNQRW C39H58N16O13S 990.4091 NA PeJP NA NA +PJ119729 GSPPMMWW C47H62N10O10S2 990.4092 NA PeJP NA NA +PJ119730 PNDHHWW C47H54N14O11 990.4097 NA PeJP NA NA +PJ119731 CCMHRRW C40H62N16O8S3 990.4099 NA PeJP NA NA +PJ119732 SNNDDDRR C35H58N16O18 990.4115 NA PeJP NA NA +PJ119733 GGSNDDDRR C35H58N16O18 990.4116 NA PeJP NA NA +PJ119734 GPDKEEMW C43H62N10O15S 990.4117 NA PeJP NA NA +PJ119735 APEYYYW C51H58N8O13 990.4124 NA PeJP NA NA +PJ119736 APPQMMMW C44H66N10O10S3 990.4126 NA PeJP NA NA +PJ119737 CNEHFRW C44H58N14O11S 990.4131 NA PeJP NA NA +PJ119738 NNWWWW C52H54N12O9 990.4137 NA PeJP NA NA +PJ119739 SSSSSSSSLY C39H62N10O20 990.4142 NA PeJP NA NA +PJ119740 GSSSTKMMY C40H66N10O15S2 990.4151 NA PeJP NA NA +PJ119741 SSNNQQQW C40H58N14O16 990.4155 NA PeJP NA NA +PJ119742 DDDERRW C40H58N14O16 990.4156 NA PeJP NA NA +PJ119743 SLEMYYW C48H62N8O13S 990.4157 NA PeJP NA NA +PJ119744 AAEEMFFF C48H62N8O13S 990.4158 NA PeJP NA NA +PJ119745 GCKKMMMY C41H70N10O10S4 990.416 NA PeJP NA NA +PJ119746 GSSMMHRW C41H62N14O11S2 990.4164 NA PeJP NA NA +PJ119747 GGGGAPCMRW C41H62N14O11S2 990.4165 NA PeJP NA NA +PJ119748 VMMMFFW C49H66N8O8S3 990.4166 NA PeJP NA NA +PJ119749 GTEHHHHH C41H54N18O12 990.4169 NA PeJP NA NA +PJ119750 GQMHFWW C49H58N12O9S 990.4171 NA PeJP NA NA +PJ119751 SSTLEEYY C44H62N8O18 990.4182 NA PeJP NA NA +PJ119752 PPVEEEEY C44H62N8O18 990.4183 NA PeJP NA NA +PJ119753 SPDDDMRR C37H62N14O16S 990.4189 NA PeJP NA NA +PJ119754 GGGGAQEEMR C37H62N14O16S 990.419 NA PeJP NA NA +PJ119755 AALEMMYY C45H66N8O13S2 990.4191 NA PeJP NA NA +PJ119756 GEEERWW C45H58N12O14 990.4196 NA PeJP NA NA +PJ119757 PPCCEMRR C38H66N14O11S3 990.4198 NA PeJP NA NA +PJ119758 SSCQHHHR C38H58N18O12S 990.4203 NA PeJP NA NA +PJ119759 TCKMHWW C46H62N12O9S2 990.4205 NA PeJP NA NA +MJ099190 Antibiotic P 371A1 C48H66N2O20 990.420892 NA MeJP NA NA +PJ119760 NNHHHFW C46H54N16O10 990.4209 NA PeJP NA NA +PJ119761 PMWWWW C54H58N10O7S 990.4211 NA PeJP NA NA +PJ119762 TTTLMMMY C42H70N8O13S3 990.4225 NA PeJP NA NA +PJ119763 SSSKEMHW C42H62N12O14S 990.4229 NA PeJP NA NA +PJ119764 GSPEEMRW C42H62N12O14S 990.423 NA PeJP NA NA +PJ119765 GVEEWWW C50H58N10O12 990.4236 NA PeJP NA NA +PJ119766 APPCMMRW C43H66N12O9S3 990.4238 NA PeJP NA NA +PJ119767 GSCKHHHW C43H58N16O10S 990.4243 NA PeJP NA NA +PJ119768 SSSSTKEEH C38H62N12O19 990.4254 NA PeJP NA NA +PJ119769 GDKEEEER C38H62N12O19 990.4255 NA PeJP NA NA +PJ119770 APQEEMMR C39H66N12O14S2 990.4263 NA PeJP NA NA +PJ119771 GGGGGAPKEMM C39H66N12O14S2 990.4264 NA PeJP NA NA +PJ119772 SSNNNNRW C39H58N16O15 990.4268 NA PeJP NA NA +PJ119773 PDKEMWW C47H62N10O12S 990.427 NA PeJP NA NA +PJ119774 GPCCNRRW C40H62N16O10S2 990.4277 NA PeJP NA NA +PJ119775 GCHFRWW C48H58N14O8S 990.4283 NA PeJP NA NA +PJ119776 AAKEEEEW C43H62N10O17 990.4295 NA PeJP NA NA +PJ119777 GNNDEMRR C36H62N16O15S 990.4302 NA PeJP NA NA +PJ119778 PPTTQMMW C44H66N10O12S2 990.4303 NA PeJP NA NA +PJ119779 GPLQEMMW C44H66N10O12S2 990.4304 NA PeJP NA NA +PJ119780 SNNERWW C44H58N14O13 990.4308 NA PeJP NA NA +PJ119781 GGGGGGGAAHFF C44H58N14O13 990.4309 NA PeJP NA NA +PJ119782 PCLFYYW C52H62N8O10S 990.431 NA PeJP NA NA +PJ119783 GGCCCKKHR C37H66N16O10S3 990.4311 NA PeJP NA NA +PJ119784 LMMHHHW C45H62N14O8S2 990.4317 NA PeJP NA NA +PJ119785 THHHHHW C45H54N18O9 990.4322 NA PeJP NA NA +PJ119786 SSSSTTKMY C40H66N10O17S 990.4328 NA PeJP NA NA +PJ119787 PTQKEEEM C40H66N10O17S 990.4329 NA PeJP NA NA +PJ119788 PKEEYYY C48H62N8O15 990.4335 NA PeJP NA NA +PJ119789 STCKKMMY C41H70N10O12S3 990.4337 NA PeJP NA NA +PJ119790 SSSTMHRW C41H62N14O13S 990.4342 NA PeJP NA NA +PJ119791 VVMMYYW C49H66N8O10S2 990.4344 NA PeJP NA NA +PJ119792 EERWWW C49H58N12O11 990.4348 NA PeJP NA NA +PJ119793 GGGDKWWW C49H58N12O11 990.4349 NA PeJP NA NA +PJ119794 CKMMHRW C42H66N14O8S3 990.4351 NA PeJP NA NA +PJ119795 GVMHHHHH C42H58N18O9S 990.4355 NA PeJP NA NA +PJ119796 GSEEEERR C37H62N14O18 990.4367 NA PeJP NA NA +PJ119797 ATTLEMYY C45H66N8O15S 990.4369 NA PeJP NA NA +PJ119798 GPDEMMRR C38H66N14O13S2 990.4376 NA PeJP NA NA +PJ119799 GVLMMMFY C46H70N8O10S3 990.4377 NA PeJP NA NA +PJ119800 GSSSSHHHR C38H58N18O14 990.438 NA PeJP NA NA +PJ119801 GGGGGQEHHR C38H58N18O14 990.4381 NA PeJP NA NA +PJ119802 SPEMRWW C46H62N12O11S 990.4382 NA PeJP NA NA +PJ119803 VEWWWW C54H58N10O9 990.4389 NA PeJP NA NA +PJ119804 TLLEEEEE C41H66N8O20 990.4394 NA PeJP NA NA +PJ119805 PLLEEEMM C42H70N8O15S2 990.4403 NA PeJP NA NA +MJ099191 Pseudobactin B; 5,6-Dihydro, 5'-amide C42H62N12O16 990.440673 NA MeJP NA NA +PJ119806 DKEEERW C42H62N12O16 990.4407 NA PeJP NA NA +PJ119807 GCNDDRRR C35H62N18O14S 990.4414 NA PeJP NA NA +PJ119808 AAPEMMRW C43H66N12O11S2 990.4416 NA PeJP NA NA +PJ119809 QQQQHHW C43H58N16O12 990.442 NA PeJP NA NA +PJ119810 GSPDHHRW C43H58N16O12 990.4421 NA PeJP NA NA +PJ119811 SPVMWWW C51H62N10O9S 990.4422 NA PeJP NA NA +PJ119812 GLQEEEMR C39H66N12O16S 990.4441 NA PeJP NA NA +PJ119813 VDKEEWW C47H62N10O14 990.4447 NA PeJP NA NA +PJ119814 GGGPLEEFW C47H62N10O14 990.4448 NA PeJP NA NA +PJ119815 PPTQMMMR C40H70N12O11S3 990.445 NA PeJP NA NA +PJ119816 NNDMRRW C40H62N16O12S 990.4454 NA PeJP NA NA +PJ119817 GGGGGGGCKRW C40H62N16O12S 990.4455 NA PeJP NA NA +PJ119818 PLQMMWW C48H66N10O9S2 990.4456 NA PeJP NA NA +PJ119819 GSNRWWW C48H58N14O10 990.4461 NA PeJP NA NA +PJ119820 MHHHHHR C41H58N20O8S 990.4468 NA PeJP NA NA +PJ119821 SSNNEERR C36H62N16O17 990.4479 NA PeJP NA NA +PJ119822 GGGGGGGSSDKR C36H62N16O17 990.448 NA PeJP NA NA +PJ119823 APTKEEMW C44H66N10O14S 990.4481 NA PeJP NA NA +PJ119824 SPLYYYW C52H62N8O12 990.4487 NA PeJP NA NA +PJ119825 VVDFYYW C52H62N8O12 990.4488 NA PeJP NA NA +PJ119826 APPKMMMW C45H70N10O9S3 990.449 NA PeJP NA NA +PJ119827 GQQMRWW C45H62N14O10S 990.4494 NA PeJP NA NA +PJ119828 GGAQMRWW C45H62N14O10S 990.4495 NA PeJP NA NA +PJ119829 AHHFFFW C53H58N12O8 990.4501 NA PeJP NA NA +PJ119830 AKKEEEEE C40H66N10O19 990.4506 NA PeJP NA NA +PJ119831 PVQKEEMM C41H70N10O14S2 990.4515 NA PeJP NA NA +PJ119832 SEEERRW C41H62N14O15 990.4519 NA PeJP NA NA +PJ119833 GGGSDKERW C41H62N14O15 990.452 NA PeJP NA NA +PJ119834 AAPLMYYY C49H66N8O12S 990.4521 NA PeJP NA NA +PJ119835 VVLMMMMH C42H74N10O9S4 990.4524 NA PeJP NA NA +PJ119836 PDMMRRW C42H66N14O10S2 990.4528 NA PeJP NA NA +PJ119837 NNQHHRW C42H58N18O11 990.4533 NA PeJP NA NA +PJ119838 PPCFRWW C50H62N12O8S 990.4535 NA PeJP NA NA +PJ119839 TTTTLEYY C45H66N8O17 990.4546 NA PeJP NA NA +PJ119840 AAEEEMRR C38H66N14O15S 990.4553 NA PeJP NA NA +PJ119841 GGGGGGGGKKEM C38H66N14O15S 990.4554 NA PeJP NA NA +PJ119842 GTLLMMYY C46H70N8O12S2 990.4555 NA PeJP NA NA +PJ119843 SVEERWW C46H62N12O13 990.456 NA PeJP NA NA +PJ119844 PPTCMMRR C39H70N14O10S3 990.4562 NA PeJP NA NA +PJ119845 GPCEHHRR C39H62N18O11S 990.4567 NA PeJP NA NA +PJ119846 PCLMRWW C47H66N12O8S2 990.4568 NA PeJP NA NA +PJ119847 VLLEEEEM C42H70N8O17S 990.458 NA PeJP NA NA +PJ119848 GSSSNNNRR C35H62N18O16 990.4592 NA PeJP NA NA +PJ119849 LQEEMRW C43H66N12O13S 990.4593 NA PeJP NA NA +PJ119850 GALEEMRW C43H66N12O13S 990.4594 NA PeJP NA NA +PJ119851 ATLEWWW C51H62N10O11 990.46 NA PeJP NA NA +PJ119852 KKMMMHW C44H70N12O8S3 990.4602 NA PeJP NA NA +PJ119853 GCQRRWW C44H62N16O9S 990.4607 NA PeJP NA NA +PJ119854 STLQEEER C39H66N12O18 990.4618 NA PeJP NA NA +PJ119855 ATKEEEER C39H66N12O18 990.4619 NA PeJP NA NA +PJ119856 APKEEMMR C40H70N12O13S2 990.4627 NA PeJP NA NA +PJ119857 GSSNERRW C40H62N16O14 990.4632 NA PeJP NA NA +PJ119858 VLQEMWW C48H66N10O11S 990.4634 NA PeJP NA NA +PJ119859 PTFFFFW C56H62N8O9 990.464 NA PeJP NA NA +PJ119860 GGMMHFRR C41H66N16O9S2 990.4641 NA PeJP NA NA +PJ119861 GPNHHHHR C41H58N20O10 990.4645 NA PeJP NA NA +PJ119862 STTTQKYY C44H66N10O16 990.4658 NA PeJP NA NA +PJ119863 GTLKEEEW C44H66N10O16 990.4659 NA PeJP NA NA +PJ119864 SVCNQERR C37H66N16O14S 990.4665 NA PeJP NA NA +PJ119865 DEEMRRR C37H66N16O14S 990.4666 NA PeJP NA NA +PJ119866 GPLKEMMW C45H70N10O11S2 990.4667 NA PeJP NA NA +PJ119867 GGAAPPLMMF C45H70N10O11S2 990.4668 NA PeJP NA NA +PJ119868 SNDKRWW C45H62N14O12 990.4672 NA PeJP NA NA +PJ119869 VVMFFYW C53H66N8O9S 990.4674 NA PeJP NA NA +PJ119870 PTKKEEEM C41H70N10O16S 990.4692 NA PeJP NA NA +PJ119871 GGVLKEEEM C41H70N10O16S 990.4693 NA PeJP NA NA +PJ119872 LLQEYYY C49H66N8O14 990.4699 NA PeJP NA NA +PJ119873 PPKKEMMM C42H74N10O11S3 990.4701 NA PeJP NA NA +PJ119874 VDEMRRW C42H66N14O12S 990.4706 NA PeJP NA NA +PJ119875 GVLMMFFF C50H70N8O9S2 990.4708 NA PeJP NA NA +PJ119876 GTQKWWW C50H62N12O10 990.4712 NA PeJP NA NA +PJ119877 PCHHRRW C43H62N18O8S 990.4719 NA PeJP NA NA +PJ119878 ATTEEERR C38H66N14O17 990.4731 NA PeJP NA NA +PJ119879 STTLLMYY C46H70N8O14S 990.4732 NA PeJP NA NA +PJ119880 PPLLEEMY C46H70N8O14S 990.4733 NA PeJP NA NA +PJ119881 STTKMMHR C39H70N14O12S2 990.4739 NA PeJP NA NA +PJ119882 APTEMMRR C39H70N14O12S2 990.474 NA PeJP NA NA +PJ119883 GNNNNFRR C39H62N18O13 990.4744 NA PeJP NA NA +PJ119884 GGGGGGGGGFRR C39H62N18O13 990.4745 NA PeJP NA NA +PJ119885 ALEMRWW C47H66N12O10S 990.4746 NA PeJP NA NA +PJ119886 APVFWWW C55H62N10O8 990.4752 NA PeJP NA NA +PJ119887 GPLFWWW C55H62N10O8 990.4753 NA PeJP NA NA +PJ119888 GTTLEERW C43H66N12O15 990.4771 NA PeJP NA NA +PJ119889 GSNDMRRR C36H66N18O13S 990.4778 NA PeJP NA NA +PJ119890 GPTLMMRW C44H70N12O10S2 990.478 NA PeJP NA NA +PJ119891 SSNRRWW C44H62N16O11 990.4784 NA PeJP NA NA +PJ119892 GGLEHHRW C44H62N16O11 990.4785 NA PeJP NA NA +PJ119893 GLLMWWW C52H66N10O8S 990.4786 NA PeJP NA NA +PJ119894 GLKEEEMR C40H70N12O15S 990.4805 NA PeJP NA NA +PJ119895 TLKEEWW C48H66N10O13 990.4811 NA PeJP NA NA +PJ119896 PPTKMMMR C41H74N12O10S3 990.4813 NA PeJP NA NA +PJ119897 GPVCCLLMR C41H74N12O10S3 990.4814 NA PeJP NA NA +PJ119898 SQQMRRW C41H66N16O11S 990.4818 NA PeJP NA NA +PJ119899 PLKMMWW C49H70N10O8S2 990.482 NA PeJP NA NA +MJ099192 3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[di-O-acetyl-2,6-dideoxy-?-D-ribo-hexopyranosyl(1?4)-3-O-acetyl-2,6-dideoxy-?-D-ribo-hexopyranosyl(1?4)-3-O-acetyl-2,6-dideoxy-?-D-ribo-hexopyranoside] C51H74O19 990.48243 NA MeJP NA NA +MJ099193 3,16,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-[(3,4-dimethoxybenzoyl)-(?2)-?-D-glucopyranosyl] ester C51H74O19 990.48243 NA MeJP NA NA +PJ119900 PTKHHWW C49H62N14O9 990.4825 NA PeJP NA NA +PJ119901 SSNDKERR C37H66N16O16 990.4843 NA PeJP NA NA +PJ119902 GVLKEEMW C45H70N10O13S 990.4845 NA PeJP NA NA +PJ119903 ALLYYYW C53H66N8O11 990.4851 NA PeJP NA NA +PJ119904 AAQQMMRR C38H70N16O11S2 990.4852 NA PeJP NA NA +PJ119905 DDHHRRR C38H62N20O12 990.4857 NA PeJP NA NA +PJ119906 GQKMRWW C46H66N14O9S 990.4858 NA PeJP NA NA +PJ119907 SLKKEEEE C41H70N10O18 990.487 NA PeJP NA NA +PJ119908 PVKKEEMM C42H74N10O13S2 990.4879 NA PeJP NA NA +PJ119909 GSTQKERW C42H66N14O14 990.4883 NA PeJP NA NA +PJ119910 GGGGGGSTKKW C42H66N14O14 990.4884 NA PeJP NA NA +PJ119911 AALLMFYY C50H70N8O11S 990.4885 NA PeJP NA NA +PJ119912 APCCKKRW C43H70N14O9S2 990.4892 NA PeJP NA NA +PJ119913 AEHHRRW C43H62N18O10 990.4897 NA PeJP NA NA +PJ119914 PVLLEEEY C46H70N8O16 990.491 NA PeJP NA NA +PJ119915 GTLEEMRR C39H70N14O14S 990.4917 NA PeJP NA NA +PJ119916 SQKKEWW C47H66N12O12 990.4923 NA PeJP NA NA +PJ119917 TTLERWW C47H66N12O12 990.4924 NA PeJP NA NA +PJ119918 GPLMMMRR C40H74N14O9S3 990.4926 NA PeJP NA NA +PJ119919 SCQRRRW C40H66N18O10S 990.493 NA PeJP NA NA +PJ119920 GGTCRRRW C40H66N18O10S 990.4931 NA PeJP NA NA +PJ119921 GLHHRWW C48H62N16O8 990.4937 NA PeJP NA NA +PJ119922 SSSNERRR C36H66N18O15 990.4955 NA PeJP NA NA +PJ119923 GGSSSERRR C36H66N18O15 990.4956 NA PeJP NA NA +PJ119924 LKEEMRW C44H70N12O12S 990.4957 NA PeJP NA NA +PJ119925 GGGGGAPLKMF C44H70N12O12S 990.4958 NA PeJP NA NA +PJ119926 STLLWWW C52H66N10O10 990.4964 NA PeJP NA NA +PJ119927 GCKRRWW C45H66N16O8S 990.4971 NA PeJP NA NA +PJ119928 STLKEEER C40H70N12O17 990.4982 NA PeJP NA NA +PJ119929 SPLKEMMR C41H74N12O12S2 990.4991 NA PeJP NA NA +PJ119930 GSSDKRRW C41H66N16O13 990.4996 NA PeJP NA NA +PJ119931 VLMFRYY C49H70N10O10S 990.4997 NA PeJP NA NA +PJ119932 VLKEMWW C49H70N10O10S 990.4998 NA PeJP NA NA +PJ119933 VVFFFFW C57H66N8O8 990.5004 NA PeJP NA NA +PJ119934 SSLLKEEW C45H70N10O15 990.5022 NA PeJP NA NA +PJ119935 VVTTKEEW C45H70N10O15 990.5023 NA PeJP NA NA +PJ119936 GSQKEMRR C38H70N16O13S 990.5029 NA PeJP NA NA +PJ119937 GGGTKEMRR C38H70N16O13S 990.503 NA PeJP NA NA +PJ119938 SPVLKMMW C46H74N10O10S2 990.5031 NA PeJP NA NA +MJ099194 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C48H78O21 990.503559 NA MeJP NA NA +PJ119939 STQKRWW C46H66N14O11 990.5036 NA PeJP NA NA +PJ119940 VVKKEEEM C42H74N10O15S 990.5056 NA PeJP NA NA +PJ119941 LLKEYYY C50H70N8O13 990.5063 NA PeJP NA NA +PJ119942 PLLQKMMM C43H78N10O10S3 990.5065 NA PeJP NA NA +PJ119943 TLEMRRW C43H70N14O11S 990.507 NA PeJP NA NA +PJ119944 GTKKWWW C51H66N12O9 990.5076 NA PeJP NA NA +PJ119945 CNMRRRR C36H70N20O9S2 990.5077 NA PeJP NA NA +PJ119946 SSSPTTQKR C39H70N14O16 990.5094 NA PeJP NA NA +PJ119947 STTLEERR C39H70N14O16 990.5095 NA PeJP NA NA +PJ119948 PLLLEEMF C47H74N8O13S 990.5097 NA PeJP NA NA +PJ119949 GVLEMMRR C40H74N14O11S2 990.5103 NA PeJP NA NA +PJ119950 GGGAALKMMR C40H74N14O11S2 990.5104 NA PeJP NA NA +PJ119951 GSSSRRRW C40H66N18O12 990.5108 NA PeJP NA NA +PJ119952 SLLMRWW C48H70N12O9S 990.511 NA PeJP NA NA +PJ119953 LLLLEEMM C44H78N8O13S2 990.513 NA PeJP NA NA +PJ119954 SSTLLERW C44H70N12O14 990.5135 NA PeJP NA NA +PJ119955 GSTQMRRR C37H70N18O12S 990.5142 NA PeJP NA NA +PJ119956 AALLMMRW C45H74N12O9S2 990.5144 NA PeJP NA NA +PJ119957 AQQFRRW C45H66N16O10 990.5148 NA PeJP NA NA +PJ119958 SSSPTLLMR C41H74N12O14S 990.5168 NA PeJP NA NA +PJ119959 SVLKEEMR C41H74N12O14S 990.5169 NA PeJP NA NA +PJ119960 SSSLLLWW C49H70N10O12 990.5175 NA PeJP NA NA +PJ119961 PVVKMMMR C42H78N12O9S3 990.5177 NA PeJP NA NA +PJ119962 SQKMRRW C42H70N16O10S 990.5182 NA PeJP NA NA +PJ119963 AKHFFRW C50H66N14O8 990.5188 NA PeJP NA NA +PJ119964 PPLHRWW C50H66N14O8 990.5189 NA PeJP NA NA +PJ119965 SSTQKERR C38H70N16O15 990.5207 NA PeJP NA NA +PJ119966 ATLLKEMW C46H74N10O12S 990.5209 NA PeJP NA NA +PJ119967 AALLFFFY C54H70N8O10 990.5215 NA PeJP NA NA +PJ119968 LEMMRRR C39H74N16O10S2 990.5216 NA PeJP NA NA +PJ119969 TEHHRRR C39H66N20O11 990.522 NA PeJP NA NA +PJ119970 GGGSKHHRR C39H66N20O11 990.5221 NA PeJP NA NA +PJ119971 GKKMRWW C47H70N14O8S 990.5222 NA PeJP NA NA +PJ119972 GTTTLLKEE C42H74N10O17 990.5234 NA PeJP NA NA +PJ119973 SVVCLLLNM C43H78N10O12S2 990.5242 NA PeJP NA NA +PJ119974 VLLQKEMM C43H78N10O12S2 990.5243 NA PeJP NA NA +MJ099195 1-Hexadecanol; O-[?-L-Rhamnopyranosyl-(1?2)[?-L-arabinopyranosyl-(1?3)]-?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] C45H82O23 990.524688 NA MeJP NA NA +PJ119975 GSTKKERW C43H70N14O13 990.5247 NA PeJP NA NA +PJ119976 GGGGGGGGLKKF C43H70N14O13 990.5248 NA PeJP NA NA +PJ119977 GSTCRRRR C36H70N20O11S 990.5254 NA PeJP NA NA +PJ119978 VLMMRRW C44H74N14O8S2 990.5256 NA PeJP NA NA +PJ119979 GNFRRRW C44H66N18O9 990.5261 NA PeJP NA NA +PJ119980 VLLLEEEF C47H74N8O15 990.5274 NA PeJP NA NA +PJ119981 SSLLEMRR C40H74N14O13S 990.5281 NA PeJP NA NA +PJ119982 SKKKEWW C48H70N12O11 990.5287 NA PeJP NA NA +PJ119983 GGGPVKKYW C48H70N12O11 990.5288 NA PeJP NA NA +PJ119984 SCKRRRW C41H70N18O9S 990.5294 NA PeJP NA NA +PJ119985 SSSDKRRR C37H70N18O14 990.5319 NA PeJP NA NA +PJ119986 ATTLLMRW C45H74N12O11S 990.5321 NA PeJP NA NA +PJ119987 PVLKYWW C53H70N10O9 990.5328 NA PeJP NA NA +PJ119988 SSSSLLLER C41H74N12O16 990.5346 NA PeJP NA NA +PJ119989 ALLKEMMR C42H78N12O11S2 990.5355 NA PeJP NA NA +PJ119990 LQQQRRY C42H70N16O12 990.5359 NA PeJP NA NA +PJ119991 GSTTKRRW C42H70N16O12 990.536 NA PeJP NA NA +PJ119992 GPLLKMFW C50H74N10O9S 990.5361 NA PeJP NA NA +PJ119993 TTTLLKEW C46H74N10O14 990.5386 NA PeJP NA NA +PJ119994 AAAAAVLLEY C46H74N10O14 990.5387 NA PeJP NA NA +PJ119995 GSKKEMRR C39H74N16O12S 990.5393 NA PeJP NA NA +PJ119996 GLLLKMMW C47H78N10O9S2 990.5395 NA PeJP NA NA +MJ099196 Peptide AF 2 C47H70N14O10 990.539934 NA MeJP NA NA +MJ099197 12-Oleanene-3,11,16,21,23,28-hexol, 11-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] C49H82O20 990.539945 NA MeJP NA NA +MJ099198 Pregn-6-ene-3,5,8,12,14,17,20-heptol, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H82O20 990.539945 NA MeJP NA NA +MJ099199 Pregn-6-ene-3,5,8,12,14,17,20-heptol, 3-O-[?-D-Thevetopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C49H82O20 990.539945 NA MeJP NA NA +PJ119997 STKKRWW C47H70N14O10 990.54 NA PeJP NA NA +PJ119998 VMHHRRR C40H70N20O8S 990.5407 NA PeJP NA NA +PJ119999 TLLKKEEM C43H78N10O14S 990.542 NA PeJP NA NA +PJ120000 PPLLLEFY C51H74N8O12 990.5427 NA PeJP NA NA +PJ120001 PLLKKMMM C44H82N10O9S3 990.5429 NA PeJP NA NA +PJ120002 SSSSRRRR C36H70N20O13 990.5432 NA PeJP NA NA +PJ120003 DKKKMRW C44H74N14O10S 990.5434 NA PeJP NA NA +PJ120004 ALLFRWW C52H70N12O8 990.544 NA PeJP NA NA +PJ120005 SSKKKEER C40H74N14O15 990.5458 NA PeJP NA NA +PJ120006 STDKKKER C40H74N14O15 990.5459 NA PeJP NA NA +PJ120007 PLLLLEMY C48H78N8O12S 990.546 NA PeJP NA NA +PJ120008 ATLLMMRR C41H78N14O10S2 990.5467 NA PeJP NA NA +PJ120009 VNQRRRY C41H70N18O11 990.5472 NA PeJP NA NA +PJ120010 CLKKKWW C49H74N12O8S 990.5474 NA PeJP NA NA +PJ120011 TTTTLLRW C45H74N12O13 990.5499 NA PeJP NA NA +PJ120012 GSTKMRRR C38H74N18O11S 990.5506 NA PeJP NA NA +PJ120013 AQKFRRW C46H70N16O9 990.5512 NA PeJP NA NA +PJ120014 TTLLKEMR C42H78N12O13S 990.5532 NA PeJP NA NA +PJ120015 GAVTKKKEM C42H78N12O13S 990.5533 NA PeJP NA NA +PJ120016 APTLLKYW C50H74N10O11 990.5539 NA PeJP NA NA +PJ120017 SKKMRRW C43H74N16O9S 990.5546 NA PeJP NA NA +PJ120018 SSTKKERR C39H74N16O14 990.5571 NA PeJP NA NA +PJ120019 STLLLKMW C47H78N10O11S 990.5573 NA PeJP NA NA +PJ120020 AAKKMMRR C40H78N16O9S2 990.558 NA PeJP NA NA +PJ120021 GQRRRRY C40H70N20O10 990.5584 NA PeJP NA NA +PJ120022 SSTTLLLKE C43H78N10O16 990.5598 NA PeJP NA NA +PJ120023 VLLKKEMM C44H82N10O11S2 990.5606 NA PeJP NA NA +PJ120024 SSSLKKRW C44H74N14O12 990.5611 NA PeJP NA NA +PJ120025 VLLLLEEY C48H78N8O14 990.5638 NA PeJP NA NA +PJ120026 TTTLLMRR C41H78N14O12S 990.5645 NA PeJP NA NA +PJ120027 LLLQRYW C49H74N12O10 990.5651 NA PeJP NA NA +PJ120028 SSTTKRRR C38H74N18O13 990.5683 NA PeJP NA NA +PJ120029 GTLKKKMW C46H78N12O10S 990.5685 NA PeJP NA NA +PJ120030 VLLKFWW C54H74N10O8 990.5691 NA PeJP NA NA +PJ120031 KKKFFFF C54H74N10O8 990.5692 NA PeJP NA NA +PJ120032 PNHRRRR C39H70N22O9 990.5697 NA PeJP NA NA +PJ120033 SSTTTLLLR C42H78N12O15 990.571 NA PeJP NA NA +PJ120034 SLLLKMMR C43H82N12O10S2 990.5719 NA PeJP NA NA +PJ120035 VLERRRY C43H74N16O11 990.5723 NA PeJP NA NA +PJ120036 GGAALKRRY C43H74N16O11 990.5724 NA PeJP NA NA +PJ120037 PTLLKKEY C47H78N10O13 990.575 NA PeJP NA NA +PJ120038 ATTKKMRR C40H78N16O11S 990.5757 NA PeJP NA NA +PJ120039 VVLRRYW C48H74N14O9 990.5764 NA PeJP NA NA +PJ120040 SSSLLLLKM C44H82N10O13S 990.5784 NA PeJP NA NA +PJ120041 PPLLLLYY C52H78N8O11 990.579 NA PeJP NA NA +PJ120042 PLLLLEFF C52H78N8O11 990.5791 NA PeJP NA NA +PJ120043 GVLLMFRR C45H78N14O9S 990.5797 NA PeJP NA NA +PJ120044 TTTKKKER C41H78N14O14 990.5822 NA PeJP NA NA +PJ120045 LLLLLEMF C49H82N8O11S 990.5824 NA PeJP NA NA +PJ120046 GLKKKMMR C42H82N14O9S2 990.5831 NA PeJP NA NA +PJ120047 VNKRRRY C42H74N18O10 990.5836 NA PeJP NA NA +PJ120048 STTLKKKW C46H78N12O12 990.5862 NA PeJP NA NA +PJ120049 GLLLKERY C46H78N12O12 990.5863 NA PeJP NA NA +PJ120050 AKKFRRW C47H74N16O8 990.5876 NA PeJP NA NA +PJ120051 SLKKKKEM C43H82N12O12S 990.5896 NA PeJP NA NA +PJ120052 GVLLLKYW C51H78N10O10 990.5903 NA PeJP NA NA +PJ120053 LLMFRRR C44H78N16O8S 990.591 NA PeJP NA NA +PJ120054 TTTTKKRR C40H78N16O13 990.5935 NA PeJP NA NA +PJ120055 PVLLKKMY C48H82N10O10S 990.5937 NA PeJP NA NA +PJ120056 GKRRRRY C41H74N20O9 990.5948 NA PeJP NA NA +PJ120057 TTTTTLLLK C44H82N10O15 990.5961 NA PeJP NA NA +PJ120058 GTLLLRRY C45H78N14O11 990.5975 NA PeJP NA NA +PJ120059 STLKKKMR C42H82N14O11S 990.6009 NA PeJP NA NA +PJ120060 LLLKRYW C50H78N12O9 990.6015 NA PeJP NA NA +PJ120061 ALLLKMFR C47H82N12O9S 990.6049 NA PeJP NA NA +PJ120062 SSSTLLKKK C43H82N12O14 990.6074 NA PeJP NA NA +PJ120063 VVKKKKMM C44H86N12O9S2 990.6083 NA PeJP NA NA +PJ120064 LQKKRRY C44H78N16O10 990.6087 NA PeJP NA NA +PJ120065 VVLLKKEY C48H82N10O12 990.6114 NA PeJP NA NA +PJ120066 VKKKFRW C49H78N14O8 990.6127 NA PeJP NA NA +PJ120067 PLLLLLFY C53H82N8O10 990.6154 NA PeJP NA NA +PJ120068 GSSTKKKKK C42H82N14O13 990.6186 NA PeJP NA NA +PJ120069 LLLLLLMY C50H86N8O10S 990.6188 NA PeJP NA NA +PJ120070 TKKFRRR C43H78N18O9 990.62 NA PeJP NA NA +PJ120071 SVLLLKRY C47H82N12O11 990.6226 NA PeJP NA NA +PJ120072 GAALLKKKY C47H82N12O11 990.6227 NA PeJP NA NA +PJ120073 PVLLKKFF C52H82N10O9 990.6267 NA PeJP NA NA +PJ120074 VLLLKKMF C49H86N10O9S 990.63 NA PeJP NA NA +PJ120075 GVLKKKRY C46H82N14O10 990.6339 NA PeJP NA NA +PJ120076 TCKKKKKK C43H86N14O10S 990.6373 NA PeJP NA NA +PJ120077 LKKKRRY C45H82N16O9 990.6451 NA PeJP NA NA +PJ120078 TLLLLKKY C49H86N10O11 990.6478 NA PeJP NA NA +PJ120079 LLLLLLFF C54H86N8O9 990.6518 NA PeJP NA NA +PJ120080 ALLKKKKY C48H86N12O10 990.659 NA PeJP NA NA +PJ120081 VLLLLKHR C47H86N14O9 990.6703 NA PeJP NA NA +PJ120082 PPVVLLLLK C50H90N10O10 990.6842 NA PeJP NA NA +C16001 Reactive black 5 C26H21N5O19S6 990.8746 NA KEGG NA NA +C16002 Oxidized reactive black 5 C26H21N5O19S6 990.8746 NA KEGG NA NA +C16003 Atrial natriuretic peptide C26H21N5O19S6 990.8746 NA KEGG NA NA +C16004 Brain natriuretic peptide C26H21N5O19S6 990.8746 NA KEGG NA NA +C16005 C-Type natriuretic peptide C26H21N5O19S6 990.8746 NA KEGG NA NA +C16006 Uroguanylin C26H21N5O19S6 990.8746 NA KEGG NA NA +C16007 Guanylin C26H21N5O19S6 990.8746 NA KEGG NA NA +PJ120083 CCCCCCCDH C31H49N11O12S7 991.1608 NA PeJP NA NA +PJ120084 CCCCCNNDD C31H49N11O16S5 991.1963 NA PeJP NA NA +PJ120085 SCCCCCCMH C32H53N11O11S7 991.1971 NA PeJP NA NA +PJ120086 SCCCCDDDE C32H49N9O19S4 991.2028 NA PeJP NA NA +PJ120087 PCCCCCDDM C33H53N9O14S6 991.2037 NA PeJP NA NA +PJ120088 GSPCCCCCCN C32H53N11O13S6 991.2149 NA PeJP NA NA +PJ120089 GCCCDDDMM C33H53N9O16S5 991.2214 NA PeJP NA NA +PJ120090 ACCCCCCHF C36H53N11O10S6 991.2302 NA PeJP NA NA +PJ120091 SCCCCNNDM C32H53N11O15S5 991.2326 NA PeJP NA NA +PJ120092 GGSCCCCNDM C32H53N11O15S5 991.2327 NA PeJP NA NA +PJ120093 GCCCDDDDF C36H49N9O18S3 991.2358 NA PeJP NA NA +PJ120094 CCCCDEMW C37H53N9O13S5 991.2367 NA PeJP NA NA +PJ120095 SSCCCDDEM C33H53N9O18S4 991.2392 NA PeJP NA NA +PJ120096 PTCCCCCEM C34H57N9O13S6 991.24 NA PeJP NA NA +PJ120097 SPCCCCDMM C34H57N9O13S6 991.2401 NA PeJP NA NA +PJ120098 GCCCCDDHH C34H49N13O14S4 991.2405 NA PeJP NA NA +PJ120099 GSCCCCCQW C36H53N11O12S5 991.2479 NA PeJP NA NA +PJ120100 GSSSCCCCNE C32H53N11O17S4 991.2504 NA PeJP NA NA +PJ120101 GCCCCNQMM C33H57N11O12S6 991.2513 NA PeJP NA NA +PJ120102 GSCCDDDDY C36H49N9O20S2 991.2536 NA PeJP NA NA +PJ120103 GPCCCCDEY C37H53N9O15S4 991.2544 NA PeJP NA NA +PJ120104 GSCCDDMMM C34H57N9O15S5 991.2578 NA PeJP NA NA +PJ120105 APCCCCMMM C35H61N9O10S7 991.2587 NA PeJP NA NA +PJ120106 SPCCCCCHH C35H53N13O11S5 991.2591 NA PeJP NA NA +PJ120107 GCCCCCNMR C32H57N13O11S6 991.2625 NA PeJP NA NA +PJ120108 SSSCCCCNW C36H53N11O14S4 991.2657 NA PeJP NA NA +PJ120109 SSSSSCCCND C32H53N11O19S3 991.2682 NA PeJP NA NA +PJ120110 SSCCCNNMM C33H57N11O14S5 991.269 NA PeJP NA NA +PJ120111 GGGGSSCCCMM C33H57N11O14S5 991.2691 NA PeJP NA NA +PJ120112 PCCCCDYW C41H53N9O12S4 991.2697 NA PeJP NA NA +PJ120113 CCNDDEMY C37H53N9O17S3 991.2722 NA PeJP NA NA +PJ120114 SCCCEMMW C38H57N9O12S5 991.2731 NA PeJP NA NA +PJ120115 SSSCCDEMM C34H57N9O17S4 991.2756 NA PeJP NA NA +PJ120116 GCCNNDDDH C34H49N13O18S2 991.276 NA PeJP NA NA +PJ120117 GGGCCNDDDH C34H49N13O18S2 991.2761 NA PeJP NA NA +PJ120118 CCNEMMMM C35H61N9O12S6 991.2764 NA PeJP NA NA +PJ120119 GSCCCDMHH C35H53N13O13S4 991.2769 NA PeJP NA NA +PJ120120 SSCCCCCQR C32H57N13O13S5 991.2803 NA PeJP NA NA +PJ120121 CCCCNNFW C40H53N11O11S4 991.2809 NA PeJP NA NA +PJ120122 GSCDDDDEH C35H49N11O21S 991.2826 NA PeJP NA NA +PJ120123 CCCDDDRY C36H53N11O16S3 991.2834 NA PeJP NA NA +PJ120124 GSCCCCCKW C37H57N11O11S5 991.2843 NA PeJP NA NA +PJ120125 GSSSSCCCQM C33H57N11O16S4 991.2868 NA PeJP NA NA +PJ120126 GCCDDMYW C41H53N9O14S3 991.2875 NA PeJP NA NA +PJ120127 CCCDMMMR C34H61N11O11S6 991.2877 NA PeJP NA NA +PJ120128 PCCCCMFW C42H57N9O9S5 991.2883 NA PeJP NA NA +PJ120129 GPDDDDDDE C36H49N9O24 991.2891 NA PeJP NA NA +PJ120130 GSSCDDDMY C37H53N9O19S2 991.29 NA PeJP NA NA +PJ120131 GSPCCCEMY C38H57N9O14S4 991.2908 NA PeJP NA NA +PJ120132 GCCMMMMW C39H61N9O9S6 991.2917 NA PeJP NA NA +PJ120133 TCCCCHHW C39H53N13O10S4 991.2922 NA PeJP NA NA +C05261 3-Oxotetradecanoyl-CoA C35H60N7O18P3S 991.2928 NA KEGG NA NA +HMDB03935 3-Oxotetradecanoyl-CoA C35H60N7O18P3S 991.292847 NA HMDB2010 NA NA +HMDB03935 3-Oxotetradecanoyl-CoA C35H60N7O18P3S 991.29285 http://www.hmdb.ca/metabolites/HMDB03935 HMDB NA NA +HMDB03935 3-Oxotetradecanoyl-CoA C35H60N7O18P3S 991.29285 HMDB03935 PFEM_hmdb_metabocards_official NA NA +PJ120134 GSSCDMMMM C35H61N9O14S5 991.2942 NA PeJP NA NA +PJ120135 SSSCCCEHH C35H53N13O15S3 991.2947 NA PeJP NA NA +PJ120136 CCCQMMHH C36H57N13O10S5 991.2955 NA PeJP NA NA +PJ120137 SCDDDDHW C39H49N11O18S 991.2978 NA PeJP NA NA +PJ120138 GSSSSCCCCR C32H57N13O15S4 991.298 NA PeJP NA NA +PJ120139 SCCCNNYW C40H53N11O13S3 991.2987 NA PeJP NA NA +PJ120140 ACCCCCCKR C33H61N13O10S6 991.2989 NA PeJP NA NA +PJ120141 SSSDDDDDH C35H49N11O23 991.3003 NA PeJP NA NA +PJ120142 SSSCCNNDY C36H53N11O18S2 991.3012 NA PeJP NA NA +PJ120143 CCNNNMMY C37H57N11O13S4 991.302 NA PeJP NA NA +PJ120144 GGGGCCNMMY C37H57N11O13S4 991.3021 NA PeJP NA NA +PJ120145 CCCEYWW C45H53N9O11S3 991.3027 NA PeJP NA NA +PJ120146 PDDDDDDW C40H49N9O21 991.3044 NA PeJP NA NA +PJ120147 SSSSSSCCNM C33H57N11O18S3 991.3045 NA PeJP NA NA +PJ120148 GGSSSSTTCCC C33H57N11O18S3 991.3046 NA PeJP NA NA +PJ120149 SSCCDEYW C41H53N9O16S2 991.3052 NA PeJP NA NA +PJ120150 SSCCCCQKM C34H61N11O13S5 991.3054 NA PeJP NA NA +PJ120151 GCCCNNNQH C34H53N15O14S3 991.3059 NA PeJP NA NA +PJ120152 SPCCCMYW C42H57N9O11S4 991.3061 NA PeJP NA NA +PJ120153 CCCCMHHR C35H57N15O9S5 991.3068 NA PeJP NA NA +PJ120154 SSSSCDDEY C37H53N9O21S 991.3077 NA PeJP NA NA +PJ120155 SCNDEMMY C38H57N9O16S3 991.3086 NA PeJP NA NA +PJ120156 CCDYYYY C46H53N7O14S2 991.3092 NA PeJP NA NA +PJ120157 STCCMMMW C39H61N9O11S5 991.3094 NA PeJP NA NA +PJ120158 AAPCCCMMY C39H61N9O11S5 991.3095 NA PeJP NA NA +PJ120159 CCCNEHHF C39H53N13O12S3 991.3099 NA PeJP NA NA +PJ120160 GNNNNDDDD C34H49N13O22 991.3116 NA PeJP NA NA +PJ120161 SSSSCEMMM C35H61N9O16S4 991.3119 NA PeJP NA NA +PJ120162 CCDDDEHR C35H53N13O17S2 991.3124 NA PeJP NA NA +PJ120163 SCQMMMMM C36H65N9O11S6 991.3128 NA PeJP NA NA +PJ120164 CCCCNQRY C36H57N13O12S4 991.3133 NA PeJP NA NA +PJ120165 NDDDDDHF C39H49N11O20 991.3156 NA PeJP NA NA +PJ120166 CCNNNDFY C40H53N11O15S2 991.3164 NA PeJP NA NA +PJ120167 GCDDEMHW C40H53N11O15S2 991.3165 NA PeJP NA NA +PJ120168 SSCCCCCKR C33H61N13O12S5 991.3167 NA PeJP NA NA +PJ120169 ASSCDDEEH C36H53N11O20S 991.3189 NA PeJP NA NA +PJ120170 GSSDDDEMH C36H53N11O20S 991.319 NA PeJP NA NA +PJ120171 SCCDDMRY C37H57N11O15S3 991.3198 NA PeJP NA NA +PJ120172 CNDDDHHH C37H49N15O16S 991.3203 NA PeJP NA NA +PJ120173 GCCDDFFW C45H53N9O13S2 991.3205 NA PeJP NA NA +PJ120174 APPCCCMMH C38H61N11O10S5 991.3207 NA PeJP NA NA +PJ120175 GSSSSSSSTCC C33H57N11O20S2 991.3223 NA PeJP NA NA +PJ120176 GNDDDMYY C41H53N9O18S 991.323 NA PeJP NA NA +PJ120177 GSSSSCCCKM C34H61N11O15S4 991.3232 NA PeJP NA NA +PJ120178 SSCCNNNNH C34H53N15O16S2 991.3236 NA PeJP NA NA +PJ120179 GGSSCCNNNH C34H53N15O16S2 991.3237 NA PeJP NA NA +PJ120180 GSCDMMYW C42H57N9O13S3 991.3238 NA PeJP NA NA +PJ120181 SCCMMMMR C35H65N11O10S6 991.3241 NA PeJP NA NA +PJ120182 GPCCCCNHR C35H57N15O11S4 991.3245 NA PeJP NA NA +PJ120183 GCCCHHFW C43H53N13O9S3 991.3252 NA PeJP NA NA +PJ120184 GSPDDDEEE C37H53N9O23 991.3255 NA PeJP NA NA +MJ099200 Perdeacyleuojaponin; 1,6,9-Tribenzoyl, 2,8,14-tri-Ac C53H53NO18 991.326263 NA MeJP NA NA +PJ120185 GSSSDDMMY C38H57N9O18S2 991.3263 NA PeJP NA NA +PJ120186 GPPDDDDMM C38H57N9O18S2 991.3264 NA PeJP NA NA +PJ120187 GNDMMMMY C39H61N9O13S4 991.3272 NA PeJP NA NA +PJ120188 SCCNNEHW C39H53N13O14S2 991.3277 NA PeJP NA NA +PJ120189 CCMFYYY C47H57N7O11S3 991.3278 NA PeJP NA NA +PJ120190 SSSCNNDEH C35H53N13O19S 991.3302 NA PeJP NA NA +PJ120191 GSSSMMMMM C36H65N9O13S5 991.3306 NA PeJP NA NA +PJ120192 GSSCCCNRY C36H57N13O14S3 991.331 NA PeJP NA NA +PJ120193 GGGSSCCCRY C36H57N13O14S3 991.3311 NA PeJP NA NA +PJ120194 CDDMHWW C44H53N11O12S2 991.3317 NA PeJP NA NA +PJ120195 CCCKMMHH C37H61N13O9S5 991.3319 NA PeJP NA NA +PJ120196 SSDDDMHW C40H53N11O17S 991.3342 NA PeJP NA NA +PJ120197 SPCCEMHW C41H57N11O12S3 991.3351 NA PeJP NA NA +PJ120198 SSSSDDEEH C36H53N11O22 991.3367 NA PeJP NA NA +PJ120199 SSSSCNNMY C37H57N11O17S2 991.3376 NA PeJP NA NA +PJ120200 CNDEYYW C45H53N9O15S 991.3382 NA PeJP NA NA +PJ120201 GCCEMMRY C38H61N11O12S4 991.3384 NA PeJP NA NA +PJ120202 GGGACCCKMY C38H61N11O12S4 991.3385 NA PeJP NA NA +PJ120203 GSPCCDHHH C38H53N15O13S2 991.3389 NA PeJP NA NA +PJ120204 TCCMYWW C46H57N9O10S3 991.3391 NA PeJP NA NA +PJ120205 SSSSSSSSSSC C33H57N11O22S 991.3401 NA PeJP NA NA +PJ120206 SPDDDEEW C41H53N9O20 991.3407 NA PeJP NA NA +PJ120207 SSSSSTCCCK C34H61N11O17S3 991.3409 NA PeJP NA NA +PJ120208 GCNNNNNNE C34H53N15O18S 991.3414 NA PeJP NA NA +PJ120209 GGGGGGGGGGGCNE C34H53N15O18S 991.3415 NA PeJP NA NA +PJ120210 SSSCEMYW C42H57N9O15S2 991.3416 NA PeJP NA NA +PJ120211 SSCCCCKKM C35H65N11O12S5 991.3418 NA PeJP NA NA +PJ120212 CCNNDMHR C35H57N15O13S3 991.3423 NA PeJP NA NA +PJ120213 CQMMMYW C43H61N9O10S4 991.3424 NA PeJP NA NA +PJ120214 GACMMMYW C43H61N9O10S4 991.3425 NA PeJP NA NA +PJ120215 GSCCNHWW C43H53N13O11S2 991.3429 NA PeJP NA NA +PJ120216 SSSSSDEMY C38H57N9O20S 991.3441 NA PeJP NA NA +PJ120217 SSNEMMMY C39H61N9O15S3 991.345 NA PeJP NA NA +PJ120218 GSSSCNDHW C39H53N13O16S 991.3454 NA PeJP NA NA +PJ120219 GGGGCNDEHF C39H53N13O16S 991.3455 NA PeJP NA NA +PJ120220 SCMYYYY C47H57N7O13S2 991.3456 NA PeJP NA NA +PJ120221 GNMMMMMF C40H65N9O10S5 991.3458 NA PeJP NA NA +PJ120222 GCNNMMHW C40H57N13O11S3 991.3463 NA PeJP NA NA +PJ120223 NNDDDDER C35H53N13O21 991.3479 NA PeJP NA NA +PJ120224 GGNDDDDER C35H53N13O21 991.348 NA PeJP NA NA +PJ120225 EEEEMYY C43H57N7O18S 991.3481 NA PeJP NA NA +PJ120226 SSSSTMMMM C36H65N9O15S4 991.3483 NA PeJP NA NA +PJ120227 SCDDEMHR C36H57N13O16S2 991.3488 NA PeJP NA NA +PJ120228 SCKMMMMM C37H69N9O10S6 991.3492 NA PeJP NA NA +PJ120229 GPCNDDWW C44H53N11O14S 991.3495 NA PeJP NA NA +PJ120230 CCCCNKRY C37H61N13O11S4 991.3497 NA PeJP NA NA +PJ120231 CCNNQHHH C37H53N17O12S2 991.3501 NA PeJP NA NA +PJ120232 GGGGCCQHHH C37H53N17O12S2 991.3502 NA PeJP NA NA +PJ120233 PPCCCHFW C45H57N11O9S3 991.3503 NA PeJP NA NA +PJ120234 GNNDEEEW C40H53N11O19 991.352 NA PeJP NA NA +PJ120235 GSDEMMHW C41H57N11O14S2 991.3528 NA PeJP NA NA +PJ120236 GCDYYWW C49H53N9O12S 991.3535 NA PeJP NA NA +PJ120237 CCMMRYW C42H61N11O9S4 991.3537 NA PeJP NA NA +PJ120238 GSSSSSSCQY C37H57N11O19S 991.3553 NA PeJP NA NA +PJ120239 GGGGGSPDEEM C37H57N11O19S 991.3554 NA PeJP NA NA +PJ120240 GSSDDYYW C45H53N9O17 991.356 NA PeJP NA NA +PJ120241 SSCDMMRY C38H61N11O14S3 991.3562 NA PeJP NA NA +PJ120242 CNNNNNNW C38H53N15O15S 991.3567 NA PeJP NA NA +PJ120243 GPTCCYYW C46H57N9O12S2 991.3568 NA PeJP NA NA +PJ120244 GGCEMFYW C46H57N9O12S2 991.3569 NA PeJP NA NA +PJ120245 ACCMMMFR C39H65N11O9S5 991.3571 NA PeJP NA NA +PJ120246 GCCCQHRW C39H57N15O10S3 991.3575 NA PeJP NA NA +PJ120247 SSNNNNNND C34H53N15O20 991.3592 NA PeJP NA NA +PJ120248 GSNEEMYY C42H57N9O17S 991.3593 NA PeJP NA NA +PJ120249 GPDEEEMW C42H57N9O17S 991.3594 NA PeJP NA NA +PJ120250 GSSCCNEHR C35H57N15O15S2 991.36 NA PeJP NA NA +PJ120251 GGGSSCCEHR C35H57N15O15S2 991.3601 NA PeJP NA NA +PJ120252 GSSMMMYW C43H61N9O12S3 991.3602 NA PeJP NA NA +PJ120253 GCNNDHFW C43H53N13O13S 991.3607 NA PeJP NA NA +PJ120254 CCFFFYY C51H57N7O10S2 991.3609 NA PeJP NA NA +PJ120255 AQEEEEEE C38H57N9O22 991.3619 NA PeJP NA NA +PJ120256 GSSSTEMMY C39H61N9O17S2 991.3627 NA PeJP NA NA +PJ120257 GNDDDDRW C39H53N13O18 991.3632 NA PeJP NA NA +PJ120258 GTQMMMMY C40H65N9O12S4 991.3636 NA PeJP NA NA +PJ120259 SSCNQMHW C40H57N13O13S2 991.3641 NA PeJP NA NA +PJ120260 SSSTCDQQH C36H57N13O18S 991.3665 NA PeJP NA NA +PJ120261 GSPCNDDER C36H57N13O18S 991.3666 NA PeJP NA NA +PJ120262 NNDEEWW C44H53N11O16 991.3672 NA PeJP NA NA +PJ120263 GDDMMMHR C37H61N13O13S3 991.3674 NA PeJP NA NA +PJ120264 GGGPPCCDMR C37H61N13O13S3 991.3675 NA PeJP NA NA +PJ120265 GSSCNNHHH C37H53N17O14S 991.3679 NA PeJP NA NA +PJ120266 SDMMHWW C45H57N11O11S2 991.3681 NA PeJP NA NA +PJ120267 PCCCHHHR C38H57N17O9S3 991.3688 NA PeJP NA NA +PJ120268 SSSEEMHW C41H57N11O16S 991.3706 NA PeJP NA NA +PJ120269 QEMMMHW C42H61N11O11S3 991.3715 NA PeJP NA NA +PJ120270 GSCEHHHW C42H53N15O12S 991.3719 NA PeJP NA NA +PJ120271 GCMFYWW C50H57N9O9S2 991.3721 NA PeJP NA NA +PJ120272 SSSSSSSSNY C37H57N11O21 991.3731 NA PeJP NA NA +PJ120273 SSSSCCQKY C38H61N11O16S2 991.3739 NA PeJP NA NA +PJ120274 GGSSSTCCKY C38H61N11O16S2 991.374 NA PeJP NA NA +PJ120275 GSSSDEHHH C38H53N15O17 991.3744 NA PeJP NA NA +PJ120276 GGGGGSPDDHH C38H53N15O17 991.3745 NA PeJP NA NA +PJ120277 PDEEMWW C46H57N9O14S 991.3746 NA PeJP NA NA +PJ120278 GTCMMMRY C39H65N11O11S4 991.3748 NA PeJP NA NA +PJ120279 SSCCNHRW C39H57N15O12S2 991.3753 NA PeJP NA NA +PJ120280 CQMMFFW C47H61N9O9S3 991.3755 NA PeJP NA NA +PJ120281 AAEEEEEW C42H57N9O19 991.3771 NA PeJP NA NA +PJ120282 SSSSCNDHR C35H57N15O17S 991.3778 NA PeJP NA NA +PJ120283 SSSTMMYW C43H61N9O14S2 991.378 NA PeJP NA NA +PJ120284 GSNNNDWW C43H53N13O15 991.3784 NA PeJP NA NA +PJ120285 GGGGGSNDWW C43H53N13O15 991.3785 NA PeJP NA NA +PJ120286 ACFYYYY C51H57N7O12S 991.3786 NA PeJP NA NA +PJ120287 SCNNMMHR C36H61N15O12S3 991.3787 NA PeJP NA NA +PJ120288 CKMMMYW C44H65N9O9S4 991.3788 NA PeJP NA NA +PJ120289 PPPCMMMW C44H65N9O9S4 991.3789 NA PeJP NA NA +PJ120290 GCNMHHFF C44H57N13O10S2 991.3793 NA PeJP NA NA +PJ120291 SSSSTTEMY C39H61N9O19S 991.3805 NA PeJP NA NA +PJ120292 PEEEYYY C47H57N7O17 991.3811 NA PeJP NA NA +PJ120293 SSDKMMMY C40H65N9O14S3 991.3813 NA PeJP NA NA +PJ120294 PPQEEMMM C40H65N9O14S3 991.3814 NA PeJP NA NA +PJ120295 SPCNDDRW C40H57N13O15S 991.3818 NA PeJP NA NA +PJ120296 GGGGGGGGAEMW C40H57N13O15S 991.3819 NA PeJP NA NA +PJ120297 ACKMMMMF C41H69N9O9S5 991.3822 NA PeJP NA NA +3430 NA QTSMTDFY 991.3823 ACE inhibitor Inhouse_peptide NA peptide +PJ120298 GNDEWWW C48H53N11O13 991.3825 NA PeJP NA NA +PJ120299 CEMMHRW C41H61N13O10S3 991.3827 NA PeJP NA NA +PJ120300 SNNDEEER C36H57N13O20 991.3843 NA PeJP NA NA +PJ120301 GGGGGGGGGTTEE C36H57N13O20 991.3844 NA PeJP NA NA +PJ120302 SSDEMMHR C37H61N13O15S2 991.3852 NA PeJP NA NA +PJ120303 NNNNNEHH C37H53N17O16 991.3857 NA PeJP NA NA +PJ120304 GSPNDMWW C45H57N11O13S 991.3858 NA PeJP NA NA +PJ120305 GGGSPDMWW C45H57N11O13S 991.3859 NA PeJP NA NA +PJ120306 SPCMMMHR C38H65N13O10S4 991.3861 NA PeJP NA NA +PJ120307 GCDMHHHR C38H57N17O11S2 991.3865 NA PeJP NA NA +PJ120308 GGGGCCKHHH C38H57N17O11S2 991.3866 NA PeJP NA NA +PJ120309 AMMMHWW C46H61N11O8S3 991.3867 NA PeJP NA NA +PJ120310 SCHHHWW C46H53N15O9S 991.3872 NA PeJP NA NA +PJ120311 GSQQEEEW C41H57N11O18 991.3883 NA PeJP NA NA +PJ120312 DEEEERW C41H57N11O18 991.3884 NA PeJP NA NA +PJ120313 GSCNNNNNR C34H57N17O16S 991.389 NA PeJP NA NA +PJ120314 GGGGGGGSCNNR C34H57N17O16S 991.3891 NA PeJP NA NA +PJ120315 GTTEMMHW C42H61N11O13S2 991.3892 NA PeJP NA NA +PJ120316 SSSDHHHW C42H53N15O14 991.3897 NA PeJP NA NA +PJ120317 GSMYYWW C50H57N9O11S 991.3899 NA PeJP NA NA +PJ120318 NMMHHHW C43H57N15O9S2 991.3905 NA PeJP NA NA +PJ120319 GGMMHHHW C43H57N15O9S2 991.3906 NA PeJP NA NA +PJ120320 GSSSSSSCKY C38H61N11O18S 991.3917 NA PeJP NA NA +PJ120321 NQEEFYY C46H57N9O16 991.3923 NA PeJP NA NA +PJ120322 VDEEEWW C46H57N9O16 991.3924 NA PeJP NA NA +PJ120323 SSSMMMRY C39H65N11O13S3 991.3926 NA PeJP NA NA +PJ120324 GCNNNERW C39H57N15O14S 991.3931 NA PeJP NA NA +PJ120325 AQMMYYW C47H61N9O11S2 991.3932 NA PeJP NA NA +PJ120326 PDDHHWW C47H53N13O12 991.3937 NA PeJP NA NA +PJ120327 GCCCKHRW C40H61N15O9S3 991.3939 NA PeJP NA NA +PJ120328 GCQHHHHH C40H53N19O10S 991.3944 NA PeJP NA NA +PJ120329 SSSNNNNQQ C35H57N15O19 991.3955 NA PeJP NA NA +PJ120330 SNDDDDRR C35H57N15O19 991.3956 NA PeJP NA NA +PJ120331 APTEEEMW C43H61N9O16S 991.3957 NA PeJP NA NA +PJ120332 GGPPEEEMF C43H61N9O16S 991.3958 NA PeJP NA NA +PJ120333 GTYYYYY C51H57N7O14 991.3964 NA PeJP NA NA +PJ120334 GGGGGGGSPCMR C36H61N15O14S2 991.3965 NA PeJP NA NA +PJ120335 APPEMMMW C44H65N9O11S3 991.3966 NA PeJP NA NA +PJ120336 NNNQMWW C44H57N13O12S 991.3971 NA PeJP NA NA +PJ120337 NDWWWW C52H53N11O10 991.3977 NA PeJP NA NA +PJ120338 AKEEEEEE C39H61N9O21 991.3982 NA PeJP NA NA +PJ120339 AASVEEEEE C39H61N9O21 991.3983 NA PeJP NA NA +PJ120340 SSSSSLMMY C40H65N9O16S2 991.3991 NA PeJP NA NA +PJ120341 GSNDEERW C40H57N13O17 991.3996 NA PeJP NA NA +PJ120342 GTKMMMMY C41H69N9O11S4 991.4 NA PeJP NA NA +PJ120343 SSCNKMHW C41H61N13O12S2 991.4004 NA PeJP NA NA +PJ120344 GPCNEMRW C41H61N13O12S2 991.4005 NA PeJP NA NA +PJ120345 GNNNNHHW C41H53N17O13 991.4009 NA PeJP NA NA +PJ120346 GGGGGGGGGHHW C41H53N17O13 991.401 NA PeJP NA NA +PJ120347 SPCQWWW C49H57N11O10S 991.4011 NA PeJP NA NA +PJ120348 GSPTCDQER C37H61N13O17S 991.4029 NA PeJP NA NA +PJ120349 GNQEEEMR C37H61N13O17S 991.403 NA PeJP NA NA +PJ120350 SQQEEWW C45H57N11O15 991.4036 NA PeJP NA NA +PJ120351 GTEMMMHR C38H65N13O12S3 991.4038 NA PeJP NA NA +PJ120352 SSCEHHHR C38H57N17O13S 991.4043 NA PeJP NA NA +PJ120353 TTMMHWW C46H61N11O10S2 991.4045 NA PeJP NA NA +PJ120354 NDHHHFW C46H53N15O11 991.4049 NA PeJP NA NA +PJ120355 GGDHHHFW C46H53N15O11 991.405 NA PeJP NA NA +PJ120356 GCFFFWW C54H57N9O8S 991.4051 NA PeJP NA NA +PJ120357 STTTEMHW C42H61N11O15S 991.407 NA PeJP NA NA +PJ120358 SSTYYWW C50H57N9O13 991.4076 NA PeJP NA NA +PJ120359 GSSSCCHRR C35H61N17O13S2 991.4077 NA PeJP NA NA +PJ120360 KEMMMHW C43H65N11O10S3 991.4078 NA PeJP NA NA +PJ120361 GAPPCCKMW C43H65N11O10S3 991.4079 NA PeJP NA NA +PJ120362 CNNNRWW C43H57N15O11S 991.4083 NA PeJP NA NA +PJ120363 ATEEEEER C38H61N11O20 991.4095 NA PeJP NA NA +PJ120364 SSSSCCKKY C39H65N11O15S2 991.4103 NA PeJP NA NA +PJ120365 APEEEMMR C39H65N11O15S2 991.4104 NA PeJP NA NA +PJ120366 SSNNNDRW C39H57N15O16 991.4108 NA PeJP NA NA +PJ120367 GGGGGGGGGGGAQF C39H57N15O16 991.4109 NA PeJP NA NA +PJ120368 SDKMYYW C47H61N9O13S 991.411 NA PeJP NA NA +PJ120369 SPKMMMMH C40H69N11O10S4 991.4112 NA PeJP NA NA +PJ120370 GPCCDRRW C40H61N15O11S2 991.4117 NA PeJP NA NA +PJ120371 CKMMFFW C48H65N9O8S3 991.4119 NA PeJP NA NA +PJ120372 SSNHHHHH C40H53N19O12 991.4122 NA PeJP NA NA +PJ120373 GTLEEEEW C43H61N9O18 991.4135 NA PeJP NA NA +PJ120374 GNDDEMRR C36H61N15O16S 991.4142 NA PeJP NA NA +PJ120375 GPLEEMMW C44H65N9O13S2 991.4144 NA PeJP NA NA +PJ120376 SNDERWW C44H57N13O14 991.4148 NA PeJP NA NA +PJ120377 GGGGGGGTTWW C44H57N13O14 991.4149 NA PeJP NA NA +PJ120378 GPPTCCCRR C37H65N15O11S3 991.4151 NA PeJP NA NA +PJ120379 PCNMRWW C45H61N13O9S2 991.4157 NA PeJP NA NA +PJ120380 MHFWWW C53H57N11O7S 991.4164 NA PeJP NA NA +PJ120381 SSTTTTTMY C40H65N9O18S 991.4168 NA PeJP NA NA +PJ120382 PTKEEEEM C40H65N9O18S 991.4169 NA PeJP NA NA +PJ120383 LEEEFYY C48H61N7O16 991.4175 NA PeJP NA NA +PJ120384 STTKMMMY C41H69N9O13S3 991.4177 NA PeJP NA NA +PJ120385 NQEEMRW C41H61N13O14S 991.4182 NA PeJP NA NA +PJ120386 ASQEWWW C49H57N11O12 991.4188 NA PeJP NA NA +PJ120387 GTQEWWW C49H57N11O12 991.4189 NA PeJP NA NA +PJ120388 TMMMHRW C42H65N13O9S3 991.4191 NA PeJP NA NA +PJ120389 PPCQHHHH C42H57N17O10S 991.4196 NA PeJP NA NA +PJ120390 SSQQEEER C37H61N13O19 991.4207 NA PeJP NA NA +PJ120391 STTEMMHR C38H65N13O14S2 991.4216 NA PeJP NA NA +PJ120392 NNNNDKHH C38H57N17O15 991.422 NA PeJP NA NA +PJ120393 GNNEEHHR C38H57N17O15 991.4221 NA PeJP NA NA +PJ120394 VNQEMWW C46H61N11O12S 991.4222 NA PeJP NA NA +PJ120395 GGGGGPPPCFF C46H61N11O12S 991.4223 NA PeJP NA NA +PJ120396 GVMMMMHR C39H69N13O9S4 991.4225 NA PeJP NA NA +PJ120397 QFYYWW C54H57N9O10 991.4229 NA PeJP NA NA +PJ120398 MHHHHFF C47H57N15O8S 991.4236 NA PeJP NA NA +PJ120399 GSQKEEEW C42H61N11O17 991.4247 NA PeJP NA NA +PJ120400 GGGGGGPLEEY C42H61N11O17 991.4248 NA PeJP NA NA +PJ120401 GCDDDRRR C35H61N17O15S 991.4254 NA PeJP NA NA +MJ099201 Demoxytocin C43H65N11O12S2 991.425557 NA MeJP NA NA +PJ120402 SSTLMMHW C43H65N11O12S2 991.4256 NA PeJP NA NA +PJ120403 SSTTHHHW C43H57N15O13 991.4261 NA PeJP NA NA +PJ120404 AQMFFYW C51H61N9O10S 991.4262 NA PeJP NA NA +PJ120405 PPEMFWW C51H61N9O10S 991.4263 NA PeJP NA NA +PJ120406 GLEEEEMR C39H65N11O17S 991.4281 NA PeJP NA NA +PJ120407 SSSSLYYW C47H61N9O15 991.4287 NA PeJP NA NA +PJ120408 TLEEEWW C47H61N9O15 991.4288 NA PeJP NA NA +PJ120409 PPTEMMMR C40H69N11O12S3 991.429 NA PeJP NA NA +PJ120410 NDDMRRW C40H61N15O13S 991.4294 NA PeJP NA NA +PJ120411 GGDDMRRW C40H61N15O13S 991.4295 NA PeJP NA NA +PJ120412 PLEMMWW C48H65N9O10S2 991.4296 NA PeJP NA NA +PJ120413 GSDRWWW C48H57N13O11 991.4301 NA PeJP NA NA +PJ120414 GCKHHHHH C41H57N19O9S 991.4308 NA PeJP NA NA +PJ120415 SSNDEERR C36H61N15O18 991.4319 NA PeJP NA NA +PJ120416 GGSSDEERR C36H61N15O18 991.432 NA PeJP NA NA +PJ120417 GVLEEEMW C44H65N9O15S 991.4321 NA PeJP NA NA +PJ120418 SPCNEMRR C37H65N15O13S2 991.4328 NA PeJP NA NA +PJ120419 SPPLMMMW C45H69N9O10S3 991.433 NA PeJP NA NA +PJ120420 SNNNNHHR C37H57N19O14 991.4333 NA PeJP NA NA +PJ120421 CNQQKWW C45H61N13O11S 991.4334 NA PeJP NA NA +PJ120422 GQEMRWW C45H61N13O11S 991.4335 NA PeJP NA NA +PJ120423 MMMMHRR C38H69N15O8S4 991.4337 NA PeJP NA NA +PJ120424 TQWWWW C53H57N11O9 991.4341 NA PeJP NA NA +PJ120425 SLKEEEEE C40H65N9O20 991.4346 NA PeJP NA NA +PJ120426 PVKEEEMM C41H69N9O15S2 991.4355 NA PeJP NA NA +PJ120427 STNNNKEW C41H61N13O16 991.4359 NA PeJP NA NA +PJ120428 GSTQEERW C41H61N13O16 991.436 NA PeJP NA NA +PJ120429 AAPPLMMMM C42H73N9O10S4 991.4364 NA PeJP NA NA +PJ120430 GSPQMMRW C42H65N13O11S2 991.4368 NA PeJP NA NA +PJ120431 GGGGPCCKKW C42H65N13O11S2 991.4369 NA PeJP NA NA +PJ120432 NNEHHRW C42H57N17O12 991.4373 NA PeJP NA NA +PJ120433 GVQMWWW C50H61N11O9S 991.4375 NA PeJP NA NA +PJ120434 GNKEEEMR C38H65N13O16S 991.4393 NA PeJP NA NA +PJ120435 GGGKEEEMR C38H65N13O16S 991.4394 NA PeJP NA NA +PJ120436 SQKEEWW C46H61N11O14 991.44 NA PeJP NA NA +PJ120437 SSLMMMHR C39H69N13O11S3 991.4402 NA PeJP NA NA +PJ120438 GSCNNRRW C39H61N17O12S 991.4407 NA PeJP NA NA +PJ120439 PNKMMWW C47H65N11O9S2 991.4409 NA PeJP NA NA +PJ120440 AQQHHWW C47H57N15O10 991.4413 NA PeJP NA NA +PJ120441 GSSSNNDRR C35H61N17O17 991.4432 NA PeJP NA NA +PJ120442 ASLQQEMW C43H65N11O14S 991.4433 NA PeJP NA NA +PJ120443 LEEEMRW C43H65N11O14S 991.4434 NA PeJP NA NA +PJ120444 PVEEFWW C51H61N9O12 991.444 NA PeJP NA NA +PJ120445 SPCCDRRR C36H65N17O12S2 991.4441 NA PeJP NA NA +PJ120446 PPCCKKMW C44H69N11O9S3 991.4442 NA PeJP NA NA +PJ120447 GCERRWW C44H61N15O10S 991.4447 NA PeJP NA NA +PJ120448 TTTTTTTEH C39H65N11O19 991.4458 NA PeJP NA NA +PJ120449 STLEEEER C39H65N11O19 991.4459 NA PeJP NA NA +PJ120450 SPLEEMMR C40H69N11O14S2 991.4467 NA PeJP NA NA +PJ120451 GGGGGALLEMM C40H69N11O14S2 991.4468 NA PeJP NA NA +PJ120452 GSSDERRW C40H61N15O15 991.4472 NA PeJP NA NA +PJ120453 VLEEMWW C48H65N9O12S 991.4474 NA PeJP NA NA +PJ120454 PPVMMMMR C41H73N11O9S4 991.4476 NA PeJP NA NA +PJ120455 GSPCMRRW C41H65N15O10S2 991.4481 NA PeJP NA NA +PJ120456 GPDHHHHR C41H57N19O11 991.4486 NA PeJP NA NA +PJ120457 QMRWWW C49H61N13O8S 991.4487 NA PeJP NA NA +PJ120458 SSLLEEEW C44H65N9O17 991.4499 NA PeJP NA NA +PJ120459 GSQEEMRR C37H65N15O15S 991.4506 NA PeJP NA NA +PJ120460 KKEMMYY C45H69N9O12S2 991.4507 NA PeJP NA NA +PJ120461 SPVLEMMW C45H69N9O12S2 991.4508 NA PeJP NA NA +PJ120462 STQERWW C45H61N13O13 991.4512 NA PeJP NA NA +PJ120463 GGGGGGGGALFW C45H61N13O13 991.4513 NA PeJP NA NA +PJ120464 GPNMMMRR C38H69N15O10S3 991.4514 NA PeJP NA NA +PJ120465 GGGPMMMRR C38H69N15O10S3 991.4515 NA PeJP NA NA +PJ120466 CLMHFRW C46H65N13O8S2 991.4521 NA PeJP NA NA +PJ120467 GNHHRWW C46H57N17O9 991.4526 NA PeJP NA NA +PJ120468 APTTTLEEM C41H69N9O17S 991.4532 NA PeJP NA NA +PJ120469 VVKEEEEM C41H69N9O17S 991.4533 NA PeJP NA NA +PJ120470 LLEEYYY C49H65N7O15 991.4539 NA PeJP NA NA +PJ120471 PLLQEMMM C42H73N9O12S3 991.4541 NA PeJP NA NA +PJ120472 NKEEMRW C42H65N13O13S 991.4546 NA PeJP NA NA +PJ120473 GTKEWWW C50H61N11O11 991.4552 NA PeJP NA NA +PJ120474 GGGGPLYWW C50H61N11O11 991.4553 NA PeJP NA NA +PJ120475 QMHHHFR C43H61N17O9S 991.4559 NA PeJP NA NA +PJ120476 SSQKEEER C38H65N13O18 991.4571 NA PeJP NA NA +PJ120477 SPNKEMMR C39H69N13O13S2 991.458 NA PeJP NA NA +PJ120478 GNNNDFRR C39H61N17O14 991.4584 NA PeJP NA NA +PJ120479 GGGGGNDFRR C39H61N17O14 991.4585 NA PeJP NA NA +PJ120480 VNKEMWW C47H65N11O11S 991.4586 NA PeJP NA NA +PJ120481 KFYYWW C55H61N9O9 991.4593 NA PeJP NA NA +PJ120482 CRRWWW C48H61N15O7S 991.46 NA PeJP NA NA +PJ120483 GSKKEEEW C43H65N11O16 991.4611 NA PeJP NA NA +PJ120484 GSDDMRRR C36H65N17O14S 991.4618 NA PeJP NA NA +PJ120485 GPDKKMMW C44H69N11O11S2 991.462 NA PeJP NA NA +PJ120486 NNQQFRW C44H61N15O12 991.4624 NA PeJP NA NA +PJ120487 SSDRRWW C44H61N15O12 991.4625 NA PeJP NA NA +PJ120488 PPLMYWW C52H65N9O9S 991.4626 NA PeJP NA NA +PJ120489 APCCMRRR C37H69N17O9S3 991.4627 NA PeJP NA NA +PJ120490 SVLEEEMR C40H69N11O16S 991.4645 NA PeJP NA NA +PJ120491 GPVLEEYW C48H65N9O14 991.4651 NA PeJP NA NA +PJ120492 GPPVVDDFF C48H65N9O14 991.4652 NA PeJP NA NA +PJ120493 PVVEMMMR C41H73N11O11S3 991.4654 NA PeJP NA NA +PJ120494 SQEMRRW C41H65N15O12S 991.4658 NA PeJP NA NA +PJ120495 GGGGGGPCKFR C41H65N15O12S 991.4659 NA PeJP NA NA +PJ120496 APPLMMFW C49H69N9O9S2 991.466 NA PeJP NA NA +PJ120497 GTTRWWW C49H61N13O10 991.4665 NA PeJP NA NA +PJ120498 CHHHFRR C42H61N19O8S 991.4672 NA PeJP NA NA +PJ120499 SSTQEERR C37H65N15O17 991.4683 NA PeJP NA NA +PJ120500 GGGGGGGGSSSKK C37H65N15O17 991.4684 NA PeJP NA NA +PJ120501 ATLLEEMW C45H69N9O14S 991.4685 NA PeJP NA NA +MJ099202 Antibiotic CBS 154-94B; Me ester C53H65N7O12 991.46912 NA MeJP NA NA +PJ120502 AAQEMMRR C38H69N15O12S2 991.4692 NA PeJP NA NA +PJ120503 APLLMMMW C46H73N9O9S3 991.4694 NA PeJP NA NA +PJ120504 GSNEHHRR C38H61N19O13 991.4697 NA PeJP NA NA +PJ120505 ADKMRWW C46H65N13O10S 991.4698 NA PeJP NA NA +MJ099203 WWamide 1; 2-L-Arginine analogue C46H65N13O10S 991.469806 NA MeJP NA NA +PJ120506 GKEMRWW C46H65N13O10S 991.4699 NA PeJP NA NA +PJ120507 TKWWWW C54H61N11O8 991.4705 NA PeJP NA NA +PJ120508 GTTTLLEEE C41H69N9O19 991.471 NA PeJP NA NA +PJ120509 VLLQEEMM C42H73N9O14S2 991.4719 NA PeJP NA NA +PJ120510 ASSKEERW C42H65N13O15 991.4723 NA PeJP NA NA +PJ120511 GSTKEERW C42H65N13O15 991.4724 NA PeJP NA NA +PJ120512 SSCNNRRR C35H65N19O13S 991.473 NA PeJP NA NA +PJ120513 GGGGSSCRRR C35H65N19O13S 991.4731 NA PeJP NA NA +PJ120514 GSPKMMRW C43H69N13O10S2 991.4732 NA PeJP NA NA +PJ120515 NDKHHRW C43H61N17O11 991.4737 NA PeJP NA NA +PJ120516 GVKMWWW C51H65N11O8S 991.4739 NA PeJP NA NA +PJ120517 GDKKEEMR C39H69N13O15S 991.4757 NA PeJP NA NA +PJ120518 SKKEEWW C47H65N11O13 991.4764 NA PeJP NA NA +PJ120519 APQKMMMR C40H73N13O10S3 991.4766 NA PeJP NA NA +PJ120520 SCERRRW C40H65N17O11S 991.4771 NA PeJP NA NA +PJ120521 LKMMHFW C48H69N11O8S2 991.4772 NA PeJP NA NA +2601 tachykinin family from white shrimp Penaeus vannam APSGFLGMRG 991.4774 antibacterial Inhouse_peptide NA peptide +PJ120522 PPNHRWW C48H61N15O9 991.4777 NA PeJP NA NA +PJ120523 GSSSSQQRR C36H65N17O16 991.4795 NA PeJP NA NA +PJ120524 SSSDERRR C36H65N17O16 991.4796 NA PeJP NA NA +PJ120525 SSPKKEMW C44H69N11O13S 991.4797 NA PeJP NA NA +PJ120526 AAKKEEMW C44H69N11O13S 991.4798 NA PeJP NA NA +PJ120527 PVLEYWW C52H65N9O11 991.4804 NA PeJP NA NA +PJ120528 GGGGACKMRR C37H69N17O11S2 991.4805 NA PeJP NA NA +PJ120529 GTMRRWW C45H65N15O9S 991.4811 NA PeJP NA NA +PJ120530 TTQKKEEE C40H69N11O18 991.4822 NA PeJP NA NA +PJ120531 SDKKKEEE C40H69N11O18 991.4823 NA PeJP NA NA +PJ120532 ALLEEMMR C41H73N11O13S2 991.4831 NA PeJP NA NA +PJ120533 GSTTERRW C41H65N15O14 991.4836 NA PeJP NA NA +PJ120534 SPPVLMYW C49H69N9O11S 991.4838 NA PeJP NA NA +PJ120535 VNMMRRW C42H69N15O9S2 991.4845 NA PeJP NA NA +PJ120536 SNHHRRW C42H61N19O10 991.4849 NA PeJP NA NA +PJ120537 KMRWWW C50H65N13O7S 991.4851 NA PeJP NA NA +PJ120538 TTTLLEEW C45H69N9O16 991.4863 NA PeJP NA NA +PJ120539 ATTQEMRR C38H69N15O14S 991.4869 NA PeJP NA NA +PJ120540 GSKEEMRR C38H69N15O14S 991.487 NA PeJP NA NA +PJ120541 GLLLEMMW C46H73N9O11S2 991.4871 NA PeJP NA NA +PJ120542 STKERWW C46H65N13O12 991.4876 NA PeJP NA NA +PJ120543 APCKMMRR C39H73N15O9S3 991.4878 NA PeJP NA NA +PJ120544 QQMHHRR C39H65N19O10S 991.4883 NA PeJP NA NA +PJ120545 TLLKEEEM C42H73N9O16S 991.4896 NA PeJP NA NA +PJ120546 PLLKEMMM C43H77N9O11S3 991.4905 NA PeJP NA NA +PJ120547 DKKEMRW C43H69N13O12S 991.491 NA PeJP NA NA +PJ120548 SSLKWWW C51H65N11O10 991.4916 NA PeJP NA NA +PJ120549 CDMRRRR C36H69N19O10S2 991.4917 NA PeJP NA NA +PJ120550 KMHHHFR C44H65N17O8S 991.4923 NA PeJP NA NA +PJ120551 SSKKEEER C39H69N13O17 991.4935 NA PeJP NA NA +PJ120552 PTTQKMMR C40H73N13O12S2 991.4943 NA PeJP NA NA +PJ120553 GLQKEMMR C40H73N13O12S2 991.4944 NA PeJP NA NA +PJ120554 NQQQRRY C40H65N17O13 991.4948 NA PeJP NA NA +PJ120555 GGGGGGGAPLHR C40H65N17O13 991.4949 NA PeJP NA NA +PJ120556 VDKKMWW C48H69N11O10S 991.495 NA PeJP NA NA +PJ120557 PPLFFWW C56H65N9O8 991.4957 NA PeJP NA NA +PJ120558 ATTKKEEW C44H69N11O15 991.4975 NA PeJP NA NA +PJ120559 GSTEMRRR C37H69N17O13S 991.4982 NA PeJP NA NA +PJ120560 APTKKMMW C45H73N11O10S2 991.4984 NA PeJP NA NA +PJ120561 STTRRWW C45H65N15O11 991.4988 NA PeJP NA NA +PJ120562 GAAEFRRW C45H65N15O11 991.4989 NA PeJP NA NA +PJ120563 PLLMFWW C53H69N9O8S 991.499 NA PeJP NA NA +PJ120564 CQHHRRR C38H65N21O9S 991.4995 NA PeJP NA NA +PJ120565 TTLLEEMR C41H73N11O15S 991.5009 NA PeJP NA NA +PJ120566 APTLLEYW C49H69N9O13 991.5015 NA PeJP NA NA +PJ120567 PTLLMMMR C42H77N11O10S3 991.5017 NA PeJP NA NA +PJ120568 GGPLKKMMM C42H77N11O10S3 991.5018 NA PeJP NA NA +PJ120569 SKEMRRW C42H69N15O11S 991.5022 NA PeJP NA NA +PJ120570 LLLMMWW C50H73N9O8S2 991.5024 NA PeJP NA NA +PJ120571 GPKRYWW C50H65N13O9 991.5029 NA PeJP NA NA +PJ120572 SSTKEERR C38H69N15O16 991.5047 NA PeJP NA NA +PJ120573 STLLLEMW C46H73N9O13S 991.5049 NA PeJP NA NA +PJ120574 AAKEMMRR C39H73N15O11S2 991.5056 NA PeJP NA NA +PJ120575 NNNRRRY C39H65N19O12 991.506 NA PeJP NA NA +PJ120576 GGNNRRRY C39H65N19O12 991.5061 NA PeJP NA NA +PJ120577 SVKMRWW C47H69N13O9S 991.5062 NA PeJP NA NA +PJ120578 SSTTLLLEE C42H73N9O18 991.5074 NA PeJP NA NA +PJ120579 VLLKEEMM C43H77N9O13S2 991.5083 NA PeJP NA NA +PJ120580 SSSLKERW C43H69N13O14 991.5087 NA PeJP NA NA +PJ120581 AAAAAAVERY C43H69N13O14 991.5088 NA PeJP NA NA +PJ120582 LQKMMRW C44H73N13O9S2 991.5096 NA PeJP NA NA +PJ120583 GDFRRRW C44H65N17O10 991.5101 NA PeJP NA NA +PJ120584 ATKKEEMR C40H73N13O14S 991.5121 NA PeJP NA NA +PJ120585 GTTTLKWW C48H69N11O12 991.5127 NA PeJP NA NA +PJ120586 ASTTLKWW C48H69N11O12 991.5128 NA PeJP NA NA +PJ120587 APKKMMMR C41H77N13O9S3 991.513 NA PeJP NA NA +PJ120588 STMRRRW C41H69N17O10S 991.5134 NA PeJP NA NA +PJ120589 GGPMRRRY C41H69N17O10S 991.5135 NA PeJP NA NA +PJ120590 AAFRRWW C49H65N15O8 991.5141 NA PeJP NA NA +PJ120591 SSTTERRR C37H69N17O15 991.5159 NA PeJP NA NA +PJ120592 GGASSSSKRR C37H69N17O15 991.516 NA PeJP NA NA +PJ120593 GTLKKEMW C45H73N11O12S 991.5161 NA PeJP NA NA +PJ120594 GGGGGALLLMF C45H73N11O12S 991.5162 NA PeJP NA NA +PJ120595 VLLEFWW C53H69N9O10 991.5168 NA PeJP NA NA +PJ120596 GSSHHRRR C38H65N21O11 991.5173 NA PeJP NA NA +PJ120597 PCKFRRW C46H69N15O8S 991.5175 NA PeJP NA NA +PJ120598 TTKKKEEE C41H73N11O17 991.5186 NA PeJP NA NA +PJ120599 SLLLEMMR C42H77N11O12S2 991.5195 NA PeJP NA NA +PJ120600 SSSTLRRW C42H69N15O13 991.52 NA PeJP NA NA +PJ120601 LKKMFYY C50H73N9O10S 991.5201 NA PeJP NA NA +PJ120602 GPLLLMYW C50H73N9O10S 991.5202 NA PeJP NA NA +PJ120603 CLKMRRW C43H73N15O8S2 991.5208 NA PeJP NA NA +PJ120604 GVLHHHHR C43H65N19O9 991.5213 NA PeJP NA NA +PJ120605 VVLLQEEY C46H73N9O15 991.5226 NA PeJP NA NA +PJ120606 PTLLKEEY C46H73N9O15 991.5227 NA PeJP NA NA +PJ120607 ATTKEMRR C39H73N15O13S 991.5233 NA PeJP NA NA +PJ120608 GGGGTTKKMR C39H73N15O13S 991.5234 NA PeJP NA NA +PJ120609 SVLLLMMW C47H77N9O10S2 991.5235 NA PeJP NA NA +PJ120610 PDKKRYW C47H69N13O11 991.524 NA PeJP NA NA +PJ120611 APPCHRRR C40H69N19O9S 991.5247 NA PeJP NA NA +PJ120612 SSSLLLLEM C43H77N9O15S 991.526 NA PeJP NA NA +PJ120613 LLLLQMMM C44H81N9O10S3 991.5269 NA PeJP NA NA +PJ120614 GTTLKMRW C44H73N13O11S 991.5274 NA PeJP NA NA +PJ120615 PTKKFWW C52H69N11O9 991.528 NA PeJP NA NA +PJ120616 SPTTTTTKR C40H73N13O16 991.5298 NA PeJP NA NA +PJ120617 TTTKKEER C40H73N13O16 991.5299 NA PeJP NA NA +PJ120618 GLKKEMMR C41H77N13O11S2 991.5307 NA PeJP NA NA +PJ120619 GGGGVKKKMM C41H77N13O11S2 991.5308 NA PeJP NA NA +7860 peptide isolated from marine rotifier (Brachionus rotundiformis) LLGPGLTNHA 991.5309 ACE inhibitor Inhouse_peptide NA peptide +PJ120620 VNERRRY C41H69N17O12 991.5312 NA PeJP NA NA +PJ120621 TLKKMWW C49H73N11O9S 991.5314 NA PeJP NA NA +PJ120622 LHHHHRR C42H65N21O8 991.5325 NA PeJP NA NA +PJ120623 STTLKKEW C45H73N11O14 991.5339 NA PeJP NA NA +PJ120624 SSSLMRRR C38H73N17O12S 991.5346 NA PeJP NA NA +PJ120625 GVLKKMMW C46H77N11O9S2 991.5348 NA PeJP NA NA +PJ120626 SPKRRYW C46H69N15O10 991.5352 NA PeJP NA NA +PJ120627 CKHHRRR C39H69N21O8S 991.5359 NA PeJP NA NA +PJ120628 SSPTTLKKM C42H77N11O14S 991.5372 NA PeJP NA NA +PJ120629 SLKKKEEM C42H77N11O14S 991.5373 NA PeJP NA NA +PJ120630 GVLLLEYW C50H73N9O12 991.5379 NA PeJP NA NA +PJ120631 VVLLMMMR C43H81N11O9S3 991.5381 NA PeJP NA NA +PJ120632 GSCKKKRW C43H73N15O10S 991.5386 NA PeJP NA NA +PJ120633 GLKFRWW C51H69N13O8 991.5393 NA PeJP NA NA +PJ120634 TTTTKERR C39H73N15O15 991.5411 NA PeJP NA NA +PJ120635 PVLLKEMY C47H77N9O12S 991.5413 NA PeJP NA NA +PJ120636 GTLKMMRR C40H77N15O10S2 991.542 NA PeJP NA NA +PJ120637 GERRRRY C40H69N19O11 991.5424 NA PeJP NA NA +PJ120638 AAPEHRRR C40H69N19O11 991.5425 NA PeJP NA NA +PJ120639 PKKMFRW C48H73N13O8S 991.5426 NA PeJP NA NA +PJ120640 TTTTTLLLE C43H77N9O17 991.5438 NA PeJP NA NA +PJ120641 ASTLLLLMM C44H81N9O12S2 991.5446 NA PeJP NA NA +PJ120642 GTTLLLLMM C44H81N9O12S2 991.5447 NA PeJP NA NA +PJ120643 STTTLKRW C44H73N13O13 991.5451 NA PeJP NA NA +PJ120644 GGGGGGPPPVLK C44H73N13O13 991.5452 NA PeJP NA NA +PJ120645 LKKMMRW C45H77N13O8S2 991.546 NA PeJP NA NA +PJ120646 GVRRRYW C45H69N17O9 991.5465 NA PeJP NA NA +MJ099204 Mulundocandin; 2''-Deoxy C48H77N7O15 991.547764 NA MeJP NA NA +PJ120647 STLKKEMR C41H77N13O13S 991.5485 NA PeJP NA NA +PJ120648 LLLERYW C49H73N11O11 991.5491 NA PeJP NA NA +PJ120649 GGGVLLKYW C49H73N11O11 991.5492 NA PeJP NA NA +PJ120650 VQMFRRR C42H73N17O9S 991.5498 NA PeJP NA NA +PJ120651 TTTTTRRR C38H73N17O14 991.5523 NA PeJP NA NA +PJ120652 SSLLKKMW C46H77N11O11S 991.5525 NA PeJP NA NA +PJ120653 VLLLYWW C54H73N9O9 991.5532 NA PeJP NA NA +PJ120654 PDHRRRR C39H69N21O10 991.5537 NA PeJP NA NA +PJ120655 SSSTLLKKE C42H77N11O16 991.555 NA PeJP NA NA +PJ120656 VVKKKEMM C43H81N11O11S2 991.5559 NA PeJP NA NA +PJ120657 GSLLQRRY C43H73N15O12 991.5563 NA PeJP NA NA +PJ120658 LQKERRY C43H73N15O12 991.5564 NA PeJP NA NA +PJ120659 GLLLLMFW C51H77N9O9S 991.5565 NA PeJP NA NA +PJ120660 RRRRYW C44H69N19O8 991.5577 NA PeJP NA NA +PJ120661 VVLLKEEY C47H77N9O14 991.559 NA PeJP NA NA +PJ120662 PPPVVLLEE C47H77N9O14 991.5591 NA PeJP NA NA +PJ120663 STTLKMRR C40H77N15O12S 991.5597 NA PeJP NA NA +PJ120664 PLLLKMMF C48H81N9O9S2 991.5599 NA PeJP NA NA +PJ120665 VLQKRYW C48H73N13O10 991.5604 NA PeJP NA NA +PJ120666 AMFRRRR C41H73N19O8S 991.5611 NA PeJP NA NA +PJ120667 STTTLLLLM C44H81N9O14S 991.5624 NA PeJP NA NA +PJ120668 LLLLKMMM C45H85N9O9S3 991.5633 NA PeJP NA NA +PJ120669 GSKKKKMW C45H77N13O10S 991.5638 NA PeJP NA NA +PJ120670 VVKKFWW C53H73N11O8 991.5644 NA PeJP NA NA +PJ120671 SSSTTLLKR C41H77N13O15 991.5662 NA PeJP NA NA +PJ120672 GSSTKKKKE C41H77N13O15 991.5663 NA PeJP NA NA +PJ120673 SVLKKMMR C42H81N13O10S2 991.5671 NA PeJP NA NA +PJ120674 VDKRRRY C42H73N17O11 991.5676 NA PeJP NA NA +PJ120675 SVLLLERY C46H77N11O13 991.5703 NA PeJP NA NA +PJ120676 SSCKKKRR C39H77N17O11S 991.571 NA PeJP NA NA +PJ120677 ALKRRYW C47H73N15O9 991.5716 NA PeJP NA NA +PJ120678 GTTTLLKKM C43H81N11O13S 991.5736 NA PeJP NA NA +PJ120679 ATLLLLYW C51H77N9O11 991.5743 NA PeJP NA NA +PJ120680 AALKMFRR C44H77N15O9S 991.575 NA PeJP NA NA +PJ120681 GSSTTKKKR C40H77N15O14 991.5775 NA PeJP NA NA +PJ120682 VLLLLQMY C48H81N9O11S 991.5777 NA PeJP NA NA +PJ120683 ACKKKKMR C41H81N15O9S2 991.5784 NA PeJP NA NA +PJ120684 SVRRRRY C41H73N19O10 991.5788 NA PeJP NA NA +PJ120685 SSTKKKKW C45H77N13O12 991.5815 NA PeJP NA NA +PJ120686 PLKHRRW C46H73N17O8 991.5828 NA PeJP NA NA +PJ120687 SDKKKKKM C42H81N13O12S 991.5849 NA PeJP NA NA +PJ120688 AALLKKYW C50H77N11O10 991.5855 NA PeJP NA NA +PJ120689 VKMFRRR C43H77N17O8S 991.5862 NA PeJP NA NA +PJ120690 ALLLLMRY C47H81N11O10S 991.5889 NA PeJP NA NA +PJ120691 STTTTLLKK C43H81N11O15 991.5914 NA PeJP NA NA +PJ120692 TLLKKKMM C44H85N11O10S2 991.5923 NA PeJP NA NA +PJ120693 LKKERRY C44H77N15O11 991.5927 NA PeJP NA NA +PJ120694 GGGVKKKRY C44H77N15O11 991.5928 NA PeJP NA NA +PJ120695 TLLLLKEY C48H81N9O13 991.5954 NA PeJP NA NA +PJ120696 SSKKKKMR C41H81N15O11S 991.5961 NA PeJP NA NA +PJ120697 VLKKRYW C49H77N13O9 991.5968 NA PeJP NA NA +PJ120698 GLLKKMFR C46H81N13O9S 991.6001 NA PeJP NA NA +PJ120699 SSSSLKKKK C42H81N13O14 991.6026 NA PeJP NA NA +PJ120700 AKKKKKMM C43H85N13O9S2 991.6035 NA PeJP NA NA +PJ120701 TLKRRRY C43H77N17O10 991.604 NA PeJP NA NA +PJ120702 TTLLLLRY C47H81N11O12 991.6067 NA PeJP NA NA +PJ120703 PVLLLKFY C52H81N9O10 991.6107 NA PeJP NA NA +PJ120704 VLLLLKMY C49H85N9O10S 991.6141 NA PeJP NA NA +PJ120705 AALLHRRR C42H77N19O9 991.6152 NA PeJP NA NA +PJ120706 ATLLKKRY C46H81N13O11 991.6179 NA PeJP NA NA +PJ120707 TTKKKKKM C43H85N13O11S 991.6213 NA PeJP NA NA +PJ120708 VVLLLLHW C51H81N11O9 991.6219 NA PeJP NA NA +PJ120709 VVLKKKMF C48H85N11O9S 991.6253 NA PeJP NA NA +PJ120710 VLHRRRR C41H77N21O8 991.6265 NA PeJP NA NA +PJ120711 AAKKKKRY C45H81N15O10 991.6291 NA PeJP NA NA +PJ120712 PPVVLLLLE C49H85N9O12 991.6318 NA PeJP NA NA +PJ120713 KKKKKFW C50H81N13O8 991.6331 NA PeJP NA NA +PJ120714 PPVVLRRR C44H81N17O9 991.6404 NA PeJP NA NA +PJ120715 SLLLKKKY C48H85N11O11 991.643 NA PeJP NA NA +PJ120716 GTILLLLLH C48H85N11O11 991.6431 NA PeJP NA NA +PJ120717 VLLLLKFF C53H85N9O9 991.6471 NA PeJP NA NA +PJ120718 GLKKKKKY C47H85N13O10 991.6543 NA PeJP NA NA +PJ120719 PPLLLKRR C46H85N15O9 991.6655 NA PeJP NA NA +PJ120720 PPTLLLLLL C50H89N9O11 991.6682 NA PeJP NA NA +PJ120721 APPLLLLKK C49H89N11O10 991.6794 NA PeJP NA NA +PJ120722 LLLLKKKH C48H89N13O9 991.6907 NA PeJP NA NA +PJ120723 PVVLLLLLL C51H93N9O10 991.7046 NA PeJP NA NA +MJ099205 Phyllanthusiin D C44H32O27 992.113095 NA MeJP NA NA +PJ120724 CCCCCNDDD C31H48N10O17S5 992.1803 NA PeJP NA NA +PJ120725 GSPCCCCCCD C32H52N10O14S6 992.1989 NA PeJP NA NA +PJ120726 CCCCCCNNQ C31H52N12O13S6 992.2101 NA PeJP NA NA +PJ120727 GGCCCCCCNQ C31H52N12O13S6 992.2102 NA PeJP NA NA +PJ120728 SCCCCNDDM C32H52N10O16S5 992.2167 NA PeJP NA NA +PJ120729 PCCCCCCQM C33H56N10O11S7 992.2175 NA PeJP NA NA +PJ120730 GAPCCCCCCM C33H56N10O11S7 992.2176 NA PeJP NA NA +PJ120731 GSSCCCCCNN C31H52N12O15S5 992.2279 NA PeJP NA NA +PJ120732 PCCCCCCCR C32H56N12O10S7 992.2288 NA PeJP NA NA +PJ120733 GSCCCCCEW C36H52N10O13S5 992.2319 NA PeJP NA NA +PJ120734 GSSSCCCCDE C32H52N10O18S4 992.2344 NA PeJP NA NA +PJ120735 GCCCCNEMM C33H56N10O13S6 992.2353 NA PeJP NA NA +PJ120736 GCCCCCDMR C32H56N12O12S6 992.2465 NA PeJP NA NA +PJ120737 GGGGCCCCCCK C32H56N12O12S6 992.2466 NA PeJP NA NA +PJ120738 SCCCCCWW C40H52N10O10S5 992.2472 NA PeJP NA NA +PJ120739 SSSCCCCDW C36H52N10O15S4 992.2497 NA PeJP NA NA +PJ120740 CCCCNMMW C37H56N10O10S6 992.2506 NA PeJP NA NA +PJ120741 SSSSSCCCDD C32H52N10O20S3 992.2522 NA PeJP NA NA +PJ120742 SSCCCNDMM C33H56N10O15S5 992.2531 NA PeJP NA NA +PJ120743 PCCCCCCKM C34H60N10O10S7 992.2539 NA PeJP NA NA +PJ120744 GCCCCCQHH C34H52N14O11S5 992.2544 NA PeJP NA NA +PJ120745 CCDDDEMY C37H52N8O18S3 992.2562 NA PeJP NA NA +PJ120746 GCCNDDDDH C34H48N12O19S2 992.2601 NA PeJP NA NA +PJ120747 CCDEMMMM C35H60N8O13S6 992.2605 NA PeJP NA NA +PJ120748 GCCCCNNNY C35H52N12O14S4 992.2609 NA PeJP NA NA +PJ120749 SSCCCCCER C32H56N12O14S5 992.2643 NA PeJP NA NA +PJ120750 CCCCNDFW C40H52N10O12S4 992.2649 NA PeJP NA NA +PJ120751 GSCCCNDEY C36H52N10O17S3 992.2674 NA PeJP NA NA +PJ120752 GGGSCCCDEY C36H52N10O17S3 992.2675 NA PeJP NA NA +PJ120753 GSTCCCCMW C37H56N10O12S5 992.2683 NA PeJP NA NA +PJ120754 GSSSSCCCEM C33H56N10O17S4 992.2708 NA PeJP NA NA +PJ120755 GSCCCQMMM C34H60N10O12S6 992.2717 NA PeJP NA NA +PJ120756 SSCCCCNHH C34H52N14O13S4 992.2721 NA PeJP NA NA +PJ120757 GGSSCCCCHH C34H52N14O13S4 992.2722 NA PeJP NA NA +PJ120758 CCDDEMMF C38H56N8O15S4 992.2748 NA PeJP NA NA +PJ120759 SPCCCNDDH C35H52N12O16S3 992.2787 NA PeJP NA NA +PJ120760 PPCCCCCQH C36H56N12O11S5 992.2795 NA PeJP NA NA +PJ120761 CCCEMMHH C36H56N12O11S5 992.2796 NA PeJP NA NA +PJ120762 SCCCNDYW C40H52N10O14S3 992.2827 NA PeJP NA NA +PJ120763 GSCCCCMMR C33H60N12O11S6 992.2829 NA PeJP NA NA +PJ120764 CCCCMHFF C41H56N10O9S5 992.2836 NA PeJP NA NA +PJ120765 SSSCCNDDY C36H52N10O19S2 992.2852 NA PeJP NA NA +PJ120766 SSSSCCCMW C37H56N10O14S4 992.2861 NA PeJP NA NA +PJ120767 SSSSSSCCDM C33H56N10O19S3 992.2886 NA PeJP NA NA +PJ120768 PCCDDDYY C41H52N8O17S2 992.2892 NA PeJP NA NA +PJ120769 SSSCCNMMM C34H60N10O14S5 992.2894 NA PeJP NA NA +PJ120770 GCCCNNNEH C34H52N14O15S3 992.2899 NA PeJP NA NA +PJ120771 GCCCCCKHH C35H56N14O10S5 992.2908 NA PeJP NA NA +PJ120772 SCDDEMMY C38H56N8O17S3 992.2926 NA PeJP NA NA +PJ120773 PCCDMMMY C39H60N8O12S5 992.2935 NA PeJP NA NA +PJ120774 CCCDEHHF C39H52N12O13S3 992.2939 NA PeJP NA NA +PJ120775 GNNNDDDDD C34H48N12O23 992.2956 NA PeJP NA NA +PJ120776 GSCNDDDMH C35H52N12O18S2 992.2964 NA PeJP NA NA +PJ120777 GGGSCDDDMH C35H52N12O18S2 992.2965 NA PeJP NA NA +PJ120778 SCEMMMMM C36H64N8O12S6 992.2968 NA PeJP NA NA +PJ120779 CCCCNERY C36H56N12O13S4 992.2973 NA PeJP NA NA +PJ120780 DDDDDDHF C39H48N10O21 992.2996 NA PeJP NA NA +PJ120781 CCNNDDFY C40H52N10O16S2 992.3005 NA PeJP NA NA +PJ120782 SSTCCCCMR C33H60N12O13S5 992.3007 NA PeJP NA NA +PJ120783 GCCCQMYW C41H56N10O11S4 992.3013 NA PeJP NA NA +PJ120784 GPNDDDDDM C36H52N10O21S 992.303 NA PeJP NA NA +PJ120785 GSSCCNEMY C37H56N10O16S3 992.3038 NA PeJP NA NA +PJ120786 CDDDDHHH C37H48N14O17S 992.3043 NA PeJP NA NA +PJ120787 APCCCCCKY C38H60N10O11S5 992.3047 NA PeJP NA NA +PJ120788 CCCNNNHW C38H52N14O12S3 992.3052 NA PeJP NA NA +PJ120789 GDDDDMYY C41H52N8O19S 992.307 NA PeJP NA NA +PJ120790 GSSSSTCCMM C34H60N10O16S4 992.3072 NA PeJP NA NA +PJ120791 SSCCNNNDH C34H52N14O17S2 992.3077 NA PeJP NA NA +PJ120792 PCCDDMFY C42H56N8O14S3 992.3079 NA PeJP NA NA +PJ120793 GSCCCKMMM C35H64N10O11S6 992.3081 NA PeJP NA NA +PJ120794 GPCCCCDHR C35H56N14O12S4 992.3086 NA PeJP NA NA +PJ120795 GDDMMMMY C39H60N8O14S4 992.3112 NA PeJP NA NA +PJ120796 SCCNDEHW C39H52N12O15S2 992.3117 NA PeJP NA NA +PJ120797 PCCMMMMF C40H64N8O9S6 992.3121 NA PeJP NA NA +PJ120798 GCCCCRYW C40H56N12O10S4 992.3126 NA PeJP NA NA +PJ120799 SSSCNDDEH C35H52N12O20S 992.3142 NA PeJP NA NA +PJ120800 GSSCCCDRY C36H56N12O15S3 992.3151 NA PeJP NA NA +PJ120801 GMMMMMMM C37H68N8O9S7 992.3155 NA PeJP NA NA +PJ120802 CCCCQMFR C37H60N12O10S5 992.3159 NA PeJP NA NA +PJ120803 PCNDDDEW C40H52N10O18S 992.3182 NA PeJP NA NA +PJ120804 SSCCNMYW C41H56N10O13S3 992.3191 NA PeJP NA NA +PJ120805 NNDDEEEE C36H52N10O23 992.3207 NA PeJP NA NA +PJ120806 SSSSCNDMY C37H56N10O18S2 992.3216 NA PeJP NA NA +PJ120807 CDDEYYW C45H52N8O16S 992.3222 NA PeJP NA NA +PJ120808 SCNNMMMY C38H60N10O13S4 992.3224 NA PeJP NA NA +PJ120809 GGSCNMMMY C38H60N10O13S4 992.3225 NA PeJP NA NA +PJ120810 SSDDDEYY C41H52N8O21 992.3247 NA PeJP NA NA +PJ120811 SSSSSSSCMM C34H60N10O18S3 992.3249 NA PeJP NA NA +PJ120812 GCNNNNNDE C34H52N14O19S 992.3254 NA PeJP NA NA +PJ120813 GGGGGGGCNNDE C34H52N14O19S 992.3255 NA PeJP NA NA +PJ120814 SPCDDMYY C42H56N8O16S2 992.3256 NA PeJP NA NA +PJ120815 SSTCCCKMM C35H64N10O13S5 992.3258 NA PeJP NA NA +PJ120816 CCNDDMHR C35H56N14O14S3 992.3263 NA PeJP NA NA +PJ120817 CEMMMYW C43H60N8O11S4 992.3265 NA PeJP NA NA +PJ120818 GSCCDHWW C43H52N12O12S2 992.327 NA PeJP NA NA +PJ120819 CCCCCFRR C36H60N14O9S5 992.3272 NA PeJP NA NA +PJ120820 PDDEEEEM C38H56N8O21S 992.3281 NA PeJP NA NA +PJ120821 SSDEMMMY C39H60N8O16S3 992.329 NA PeJP NA NA +PJ120822 GSSSCDDHW C39H52N12O17S 992.3294 NA PeJP NA NA +PJ120823 CNNDDEHF C39H52N12O17S 992.3295 NA PeJP NA NA +PJ120824 SPCMMMMY C40H64N8O11S5 992.3298 NA PeJP NA NA +PJ120825 GDMMMMMF C40H64N8O11S5 992.3299 NA PeJP NA NA +PJ120826 GCNDMMHW C40H56N12O12S3 992.3303 NA PeJP NA NA +PJ120827 GSNNNDDEE C35H52N12O22 992.3319 NA PeJP NA NA +PJ120828 NDDDDDER C35H52N12O22 992.332 NA PeJP NA NA +PJ120829 GSSNDDMMH C36H56N12O17S2 992.3328 NA PeJP NA NA +PJ120830 GGGGGGGPCDEM C36H56N12O17S2 992.3329 NA PeJP NA NA +PJ120831 STMMMMMM C37H68N8O11S6 992.3332 NA PeJP NA NA +PJ120832 GPCDDDWW C44H52N10O15S 992.3335 NA PeJP NA NA +PJ120833 SCCCQMRY C37H60N12O12S4 992.3337 NA PeJP NA NA +PJ120834 CCNNEHHH C37H52N16O13S2 992.3342 NA PeJP NA NA +PJ120835 GCCCQFFW C45H56N10O10S3 992.3343 NA PeJP NA NA +PJ120836 GGACCCFFW C45H56N10O10S3 992.3344 NA PeJP NA NA +PJ120837 GNDDEEEW C40H52N10O20 992.336 NA PeJP NA NA +PJ120838 GSSSTCCYW C41H56N10O15S2 992.3368 NA PeJP NA NA +PJ120839 GSPPCCDEW C41H56N10O15S2 992.3369 NA PeJP NA NA +PJ120840 GSCCCNNHR C34H56N16O13S3 992.3375 NA PeJP NA NA +PJ120841 GGGGGSCCCHR C34H56N16O13S3 992.3376 NA PeJP NA NA +PJ120842 GCCCKMYW C42H60N10O10S4 992.3377 NA PeJP NA NA +PJ120843 GSSSSSSCEY C37H56N10O20S 992.3393 NA PeJP NA NA +PJ120844 GGGSPDDEEM C37H56N10O20S 992.3394 NA PeJP NA NA +PJ120845 GDDDDFFY C45H52N8O18 992.34 NA PeJP NA NA +PJ120846 GSSSCQMMY C38H60N10O15S3 992.3402 NA PeJP NA NA +PJ120847 CNNNNNDW C38H52N14O16S 992.3407 NA PeJP NA NA +PJ120848 CDEMFYW C46H56N8O13S2 992.3409 NA PeJP NA NA +PJ120849 CCCQKMMF C39H64N10O10S5 992.3411 NA PeJP NA NA +PJ120850 GCCCEHRW C39H56N14O11S3 992.3416 NA PeJP NA NA +PJ120851 SSNNNNNDD C34H52N14O21 992.3432 NA PeJP NA NA +PJ120852 GSDEEMYY C42H56N8O18S 992.3434 NA PeJP NA NA +PJ120853 SSSCNNNMH C35H56N14O16S2 992.344 NA PeJP NA NA +PJ120854 GSSCCDEHR C35H56N14O16S2 992.3441 NA PeJP NA NA +PJ120855 GPCEMMYY C43H60N8O13S3 992.3442 NA PeJP NA NA +PJ120856 GCNDDHFW C43H52N12O14S 992.3447 NA PeJP NA NA +PJ120857 SCCCCRRY C36H60N14O11S4 992.3449 NA PeJP NA NA +PJ120858 CCQMHWW C44H56N12O9S3 992.3456 NA PeJP NA NA +PJ120859 AEEEEEEE C38H56N8O23 992.3459 NA PeJP NA NA +PJ120860 GDDDDDRW C39H52N12O19 992.3472 NA PeJP NA NA +PJ120861 GTEMMMMY C40H64N8O13S4 992.3476 NA PeJP NA NA +PJ120862 SSCNEMHW C40H56N12O14S2 992.3481 NA PeJP NA NA +PJ120863 GCMMMHHF C41H60N12O9S4 992.349 NA PeJP NA NA +PJ120864 GCCNHHHW C41H52N16O10S2 992.3494 NA PeJP NA NA +PJ120865 GSPCDDDER C36H56N12O19S 992.3506 NA PeJP NA NA +PJ120866 NDDEEWW C44H52N10O17 992.3512 NA PeJP NA NA +PJ120867 GSSSCCMRY C37H60N12O14S3 992.3514 NA PeJP NA NA +PJ120868 GPPCCDDMR C37H60N12O14S3 992.3515 NA PeJP NA NA +PJ120869 GSSCNDHHH C37H52N16O15S 992.3519 NA PeJP NA NA +PJ120870 SPPCCDWW C45H56N10O12S2 992.3521 NA PeJP NA NA +PJ120871 CCCCKMFR C38H64N12O9S5 992.3523 NA PeJP NA NA +PJ120872 SSSSSSCYW C41H56N10O17S 992.3546 NA PeJP NA NA +PJ120873 STCCCKYW C42H60N10O12S3 992.3555 NA PeJP NA NA +PJ120874 CCCHRWW C43H56N14O8S3 992.3568 NA PeJP NA NA +PJ120875 SSSSSSSSDY C37H56N10O22 992.3571 NA PeJP NA NA +PJ120876 SSSSSNMMY C38H60N10O17S2 992.358 NA PeJP NA NA +PJ120877 GSPNDDDHH C38H52N14O18 992.3584 NA PeJP NA NA +PJ120878 GGGSPDDDHH C38H52N14O18 992.3585 NA PeJP NA NA +PJ120879 SDEMYYW C46H56N8O15S 992.3586 NA PeJP NA NA +PJ120880 SCCQKMMY C39H64N10O12S4 992.3588 NA PeJP NA NA +PJ120881 GGPPPTCCMM C39H64N10O12S4 992.3589 NA PeJP NA NA +PJ120882 SSCCDHRW C39H56N14O13S2 992.3593 NA PeJP NA NA +PJ120883 PCMMYYW C47H60N8O10S3 992.3595 NA PeJP NA NA +PJ120884 SSSEEEYY C42H56N8O20 992.3611 NA PeJP NA NA +PJ120885 SSSSCDDHR C35H56N14O18S 992.3618 NA PeJP NA NA +PJ120886 GGGGGGGGGGGSEM C35H56N14O18S 992.3619 NA PeJP NA NA +PJ120887 QEEMMYY C43H60N8O15S2 992.362 NA PeJP NA NA +PJ120888 GSNNDDWW C43H52N12O16 992.3625 NA PeJP NA NA +PJ120889 SCNDMMHR C36H60N14O13S3 992.3627 NA PeJP NA NA +PJ120890 TMMMMYW C44H64N8O10S4 992.3629 NA PeJP NA NA +PJ120891 GSSCMHWW C44H56N12O11S2 992.3633 NA PeJP NA NA +PJ120892 GGGGAPCCWW C44H56N12O11S2 992.3634 NA PeJP NA NA +PJ120893 PTEEEEEM C39H60N8O20S 992.3645 NA PeJP NA NA +PJ120894 STTEMMMY C40H64N8O15S3 992.3654 NA PeJP NA NA +PJ120895 SPCDDDRW C40H56N12O16S 992.3658 NA PeJP NA NA +PJ120896 GGGGGNEEMW C40H56N12O16S 992.3659 NA PeJP NA NA +PJ120897 GVMMMMMY C41H68N8O10S5 992.3662 NA PeJP NA NA +PJ120898 GDDEWWW C48H52N10O14 992.3665 NA PeJP NA NA +PJ120899 PPCCCERW C41H60N12O11S3 992.3667 NA PeJP NA NA +PJ120900 SNDDEEER C36H56N12O21 992.3683 NA PeJP NA NA +PJ120901 GGTDDDEER C36H56N12O21 992.3684 NA PeJP NA NA +PJ120902 SSSSTCCRY C37H60N12O16S2 992.3692 NA PeJP NA NA +PJ120903 NNNNDEHH C37H52N16O17 992.3697 NA PeJP NA NA +PJ120904 GSSCQYYW C45H56N10O14S 992.3698 NA PeJP NA NA +PJ120905 GSPDDMWW C45H56N10O14S 992.3699 NA PeJP NA NA +PJ120906 SCCCKMRY C38H64N12O11S4 992.3701 NA PeJP NA NA +PJ120907 SCNQMHHH C38H56N16O12S2 992.3705 NA PeJP NA NA +PJ120908 GGSCQMHHH C38H56N16O12S2 992.3706 NA PeJP NA NA +PJ120909 APPCCMWW C46H60N10O9S3 992.3707 NA PeJP NA NA +PJ120910 GSSSSNEYY C41H56N10O19 992.3723 NA PeJP NA NA +PJ120911 GSQEEEEW C41H56N10O19 992.3724 NA PeJP NA NA +PJ120912 GSCNNNNDR C34H56N16O17S 992.373 NA PeJP NA NA +PJ120913 GGGSCNNNDR C34H56N16O17S 992.3731 NA PeJP NA NA +PJ120914 GPNEEMMW C42H60N10O14S2 992.3732 NA PeJP NA NA +PJ120915 GDDEHHHF C42H52N14O15 992.3737 NA PeJP NA NA +PJ120916 PCDFYYW C50H56N8O12S 992.3739 NA PeJP NA NA +PJ120917 PPCMMMHF C43H64N10O9S4 992.3741 NA PeJP NA NA +PJ120918 DMMHHHW C43H56N14O10S2 992.3746 NA PeJP NA NA +PJ120919 GSSSSSSTMY C38H60N10O19S 992.3757 NA PeJP NA NA +PJ120920 GGGGVEEEEM C38H60N10O19S 992.3758 NA PeJP NA NA +PJ120921 GSPDEYYY C46H56N8O17 992.3764 NA PeJP NA NA +PJ120922 GSSSCKMMY C39H64N10O14S3 992.3766 NA PeJP NA NA +PJ120923 GCNNDERW C39H56N14O15S 992.3771 NA PeJP NA NA +PJ120924 AEMMYYW C47H60N8O12S2 992.3772 NA PeJP NA NA +PJ120925 GPCEMFFY C47H60N8O12S2 992.3773 NA PeJP NA NA +PJ120926 MMMMMRY C40H68N10O9S5 992.3775 NA PeJP NA NA +PJ120927 GTCCMHRW C40H60N14O10S3 992.3779 NA PeJP NA NA +PJ120928 GAPCCCHFR C40H60N14O10S3 992.378 NA PeJP NA NA +PJ120929 GCEHHHHH C40H52N18O11S 992.3784 NA PeJP NA NA +PJ120930 SDDDDDRR C35H56N14O20 992.3796 NA PeJP NA NA +PJ120931 GTTEEMYY C43H60N8O17S 992.3797 NA PeJP NA NA +PJ120932 PPDEEEMF C43H60N8O17S 992.3798 NA PeJP NA NA +PJ120933 GSSSCEMHR C36H60N14O15S2 992.3804 NA PeJP NA NA +PJ120934 PCCDDERR C36H60N14O15S2 992.3805 NA PeJP NA NA +PJ120935 GPTMMMYY C44H64N8O12S3 992.3806 NA PeJP NA NA +PJ120936 SSSTCHWW C44H56N12O13S 992.3811 NA PeJP NA NA +PJ120937 GCQMMMHR C37H64N14O10S4 992.3813 NA PeJP NA NA +PJ120938 DDWWWW C52H52N10O11 992.3817 NA PeJP NA NA +PJ120939 SCCNHHHR C37H56N18O11S2 992.3818 NA PeJP NA NA +PJ120940 CCKMHWW C45H60N12O8S3 992.382 NA PeJP NA NA +PJ120941 SLEEEEEE C39H60N8O22 992.3823 NA PeJP NA NA +PJ120942 PVEEEEMM C40H64N8O17S2 992.3831 NA PeJP NA NA +PJ120943 GSDDEERW C40H56N12O18 992.3836 NA PeJP NA NA +PJ120944 SSLMMMMY C41H68N8O12S4 992.384 NA PeJP NA NA +PJ120945 SSSQMMHW C41H60N12O13S2 992.3844 NA PeJP NA NA +PJ120946 GPCDEMRW C41H60N12O13S2 992.3845 NA PeJP NA NA +PJ120947 GNNNDHHW C41H52N16O14 992.3849 NA PeJP NA NA +PJ120948 GGGGGNDHHW C41H52N16O14 992.385 NA PeJP NA NA +PJ120949 SPCEWWW C49H56N10O11S 992.3851 NA PeJP NA NA +PJ120950 PTTTCNNNE C37H60N12O18S 992.3869 NA PeJP NA NA +MJ099206 Albomycin; Albomycin ?2 C37H60N12O18S 992.386923 NA MeJP NA NA +PJ120951 GNEEEEMR C37H60N12O18S 992.387 NA PeJP NA NA +PJ120952 SQEEEWW C45H56N10O16 992.3876 NA PeJP NA NA +PJ120953 GSPPCDMMR C38H64N12O13S3 992.3878 NA PeJP NA NA +PJ120954 GGGGGAPQMMM C38H64N12O13S3 992.3879 NA PeJP NA NA +PJ120955 PCNDDHHR C38H56N16O14S 992.3883 NA PeJP NA NA +PJ120956 PNEMMWW C46H60N10O11S2 992.3885 NA PeJP NA NA +PJ120957 DDHHHFW C46H52N14O12 992.389 NA PeJP NA NA +PJ120958 AAQEEEMW C42H60N10O16S 992.391 NA PeJP NA NA +PJ120959 SPDYYYW C50H56N8O14 992.3916 NA PeJP NA NA +PJ120960 CNNNNQMR C35H60N16O14S2 992.3917 NA PeJP NA NA +PJ120961 SPPNMMMW C43H64N10O11S3 992.3919 NA PeJP NA NA +PJ120962 CNNDRWW C43H56N14O12S 992.3923 NA PeJP NA NA +PJ120963 PCMFFYW C51H60N8O9S2 992.3925 NA PeJP NA NA +PJ120964 GCCMMHRR C36H64N16O9S4 992.3926 NA PeJP NA NA +PJ120965 SSSSSSSTTY C38H60N10O21 992.3935 NA PeJP NA NA +PJ120966 CHHHHHW C44H52N18O8S 992.3937 NA PeJP NA NA +PJ120967 SSSSTCKMY C39H64N10O16S2 992.3943 NA PeJP NA NA +PJ120968 PNDKEEMM C39H64N10O16S2 992.3944 NA PeJP NA NA +PJ120969 SSNNDDRW C39H56N14O17 992.3948 NA PeJP NA NA +PJ120970 GGGGGGGGGSSTW C39H56N14O17 992.3949 NA PeJP NA NA +PJ120971 TTEMYYW C47H60N8O14S 992.395 NA PeJP NA NA +PJ120972 SCCKKMMY C40H68N10O11S4 992.3952 NA PeJP NA NA +PJ120973 SSSCMHRW C40H60N14O12S2 992.3957 NA PeJP NA NA +PJ120974 CLMMFYW C48H64N8O9S3 992.3959 NA PeJP NA NA +PJ120975 SSDHHHHH C40H52N18O13 992.3962 NA PeJP NA NA +PJ120976 GNNMWWW C48H56N12O10S 992.3963 NA PeJP NA NA +PJ120977 GGGNMWWW C48H56N12O10S 992.3964 NA PeJP NA NA +PJ120978 STTTEEYY C43H60N8O19 992.3975 NA PeJP NA NA +PJ120979 GDDDEMRR C36H60N14O17S 992.3982 NA PeJP NA NA +PJ120980 KEEMMYY C44H64N8O14S2 992.3984 NA PeJP NA NA +PJ120981 GSSNQEWW C44H56N12O15 992.3988 NA PeJP NA NA +PJ120982 SDDERWW C44H56N12O15 992.3989 NA PeJP NA NA +PJ120983 SSNMMMHR C37H64N14O12S3 992.3991 NA PeJP NA NA +PJ120984 GVMMMMFF C45H68N8O9S4 992.3993 NA PeJP NA NA +PJ120985 PCDMRWW C45H60N12O10S2 992.3997 NA PeJP NA NA +PJ120986 VVEEEEEM C40H64N8O19S 992.4009 NA PeJP NA NA +PJ120987 NEEEMRW C41H60N12O15S 992.4022 NA PeJP NA NA +PJ120988 GGGGGGGAPEMF C41H60N12O15S 992.4023 NA PeJP NA NA +PJ120989 GTEEWWW C49H56N10O13 992.4029 NA PeJP NA NA +PJ120990 PPTCCMRW C42H64N12O10S3 992.4031 NA PeJP NA NA +PJ120991 GNNMHHHF C42H56N16O11S 992.4036 NA PeJP NA NA +PJ120992 GPMMWWW C50H60N10O8S2 992.4037 NA PeJP NA NA +PJ120993 SSQEEEER C37H60N12O20 992.4047 NA PeJP NA NA +PJ120994 SPNEEMMR C38H64N12O15S2 992.4056 NA PeJP NA NA +PJ120995 GNDEEHHR C38H56N16O16 992.4061 NA PeJP NA NA +PJ120996 VNEEMWW C46H60N10O13S 992.4062 NA PeJP NA NA +PJ120997 GGVEEMWW C46H60N10O13S 992.4063 NA PeJP NA NA +PJ120998 PPCQMMMR C39H68N12O10S4 992.4065 NA PeJP NA NA +PJ120999 EFYYWW C54H56N8O11 992.4069 NA PeJP NA NA +PJ121000 PCQHHWW C47H56N14O9S 992.4076 NA PeJP NA NA +PJ121001 ATTQEEEW C42H60N10O18 992.4087 NA PeJP NA NA +PJ121002 GSKEEEEW C42H60N10O18 992.4088 NA PeJP NA NA +PJ121003 SCNNDERR C35H60N16O16S 992.4094 NA PeJP NA NA +PJ121004 GGGGSCDERR C35H60N16O16S 992.4095 NA PeJP NA NA +PJ121005 GPDKEMMW C43H64N10O13S2 992.4096 NA PeJP NA NA +PJ121006 GNNNNQFW C43H56N14O14 992.4101 NA PeJP NA NA +PJ121007 APMYYYW C51H60N8O11S 992.4102 NA PeJP NA NA +PJ121008 PVCYYYW C51H60N8O11S 992.4103 NA PeJP NA NA +PJ121009 MMMMFFR C44H68N10O8S4 992.4105 NA PeJP NA NA +PJ121010 CNMHFRW C44H60N14O9S2 992.411 NA PeJP NA NA +PJ121011 AQKEEEEM C39H64N10O18S 992.4121 NA PeJP NA NA +PJ121012 VQEEYYY C47H60N8O16 992.4128 NA PeJP NA NA +PJ121013 TTLEMMMH C40H68N10O13S3 992.413 NA PeJP NA NA +PJ121014 ASCNQERW C40H60N14O14S 992.4134 NA PeJP NA NA +PJ121015 DDDMRRW C40H60N14O14S 992.4135 NA PeJP NA NA +PJ121016 SLMMYYW C48H64N8O11S2 992.4136 NA PeJP NA NA +PJ121017 SSNQWWW C48H56N12O12 992.4141 NA PeJP NA NA +PJ121018 PCCCKHFR C41H64N14O9S3 992.4143 NA PeJP NA NA +PJ121019 GTMHHHHH C41H56N18O10S 992.4148 NA PeJP NA NA +PJ121020 ASSSNDQER C36H60N14O19 992.4159 NA PeJP NA NA +PJ121021 SSDDEERR C36H60N14O19 992.416 NA PeJP NA NA +PJ121022 SSTLEMYY C44H64N8O16S 992.4161 NA PeJP NA NA +PJ121023 SPCDEMRR C37H64N14O14S2 992.4168 NA PeJP NA NA +PJ121024 GGGGGAAEMMR C37H64N14O14S2 992.4169 NA PeJP NA NA +PJ121025 AALMMMYY C45H68N8O11S3 992.417 NA PeJP NA NA +PJ121026 SNNNDHHR C37H56N18O15 992.4173 NA PeJP NA NA +PJ121027 GEEMRWW C45H60N12O12S 992.4175 NA PeJP NA NA +PJ121028 PPCCMMRR C38H68N14O9S4 992.4177 NA PeJP NA NA +PJ121029 TEWWWW C53H56N10O10 992.4181 NA PeJP NA NA +PJ121030 GSTEEERW C41H60N12O17 992.42 NA PeJP NA NA +PJ121031 ASPDMMRW C42H64N12O12S2 992.4208 NA PeJP NA NA +MJ099207 Aspartocin C42H64N12O12S2 992.420806 NA MeJP NA NA +PJ121032 GSPEMMRW C42H64N12O12S2 992.4209 NA PeJP NA NA +PJ121033 NDEHHRW C42H56N16O13 992.4213 NA PeJP NA NA +PJ121034 GGGGGGGGPHHF C42H56N16O13 992.4214 NA PeJP NA NA +PJ121035 GVEMWWW C50H60N10O10S 992.4215 NA PeJP NA NA +PJ121036 ASSPTDEMR C38H64N12O17S 992.4233 NA PeJP NA NA +PJ121037 GDKEEEMR C38H64N12O17S 992.4234 NA PeJP NA NA +PJ121038 SKEEEWW C46H60N10O15 992.424 NA PeJP NA NA +PJ121039 APQEMMMR C39H68N12O12S3 992.4242 NA PeJP NA NA +PJ121040 GSCNDRRW C39H60N16O13S 992.4247 NA PeJP NA NA +PJ121041 PDKMMWW C47H64N10O10S2 992.4249 NA PeJP NA NA +PJ121042 AQEHHWW C47H56N14O11 992.4253 NA PeJP NA NA +PJ121043 GAAEHHWW C47H56N14O11 992.4254 NA PeJP NA NA +PJ121044 PCFFFFW C55H60N8O8S 992.4255 NA PeJP NA NA +PJ121045 GSSSNDDRR C35H60N16O18 992.4272 NA PeJP NA NA +PJ121046 AAKEEEMW C43H64N10O15S 992.4274 NA PeJP NA NA +PJ121047 GLEYYYW C51H60N8O13 992.428 NA PeJP NA NA +PJ121048 GNNDMMRR C36H64N16O13S2 992.4281 NA PeJP NA NA +PJ121049 GPLQMMMW C44H68N10O10S3 992.4282 NA PeJP NA NA +PJ121050 GGAPLMMMW C44H68N10O10S3 992.4283 NA PeJP NA NA +PJ121051 SNNMRWW C44H60N14O11S 992.4287 NA PeJP NA NA +PJ121052 CLMFFFW C52H64N8O8S2 992.4289 NA PeJP NA NA +PJ121053 GNHFFWW C52H56N12O9 992.4294 NA PeJP NA NA +PJ121054 SDKKEEEE C39H64N10O20 992.4299 NA PeJP NA NA +PJ121055 PTQKEEMM C40H68N10O15S2 992.4307 NA PeJP NA NA +PJ121056 AASPKEEMM C40H68N10O15S2 992.4308 NA PeJP NA NA +PJ121057 SSSNQERW C40H60N14O16 992.4312 NA PeJP NA NA +PJ121058 GGGGGGGGGGGALY C40H60N14O16 992.4313 NA PeJP NA NA +PJ121059 PKEMYYY C48H64N8O13S 992.4314 NA PeJP NA NA +PJ121060 SLLMMMMH C41H72N10O10S4 992.4316 NA PeJP NA NA +MJ099208 Annetocin C41H64N14O11S2 992.43204 NA MeJP NA NA +PJ121061 NQQMMRW C41H64N14O11S2 992.4321 NA PeJP NA NA +PJ121062 STTHHHHH C41H56N18O12 992.4326 NA PeJP NA NA +PJ121063 EMRWWW C49H60N12O9S 992.4327 NA PeJP NA NA +PJ121064 PVVEEEEY C44H64N8O18 992.4339 NA PeJP NA NA +PJ121065 GSEEEMRR C37H64N14O16S 992.4346 NA PeJP NA NA +PJ121066 ATTLMMYY C45H68N8O13S2 992.4348 NA PeJP NA NA +PJ121067 STEERWW C45H60N12O14 992.4352 NA PeJP NA NA +PJ121068 GGGGGAAPTYW C45H60N12O14 992.4353 NA PeJP NA NA +PJ121069 GPDMMMRR C38H68N14O11S3 992.4355 NA PeJP NA NA +PJ121070 GNNQMHHR C38H60N18O12S 992.4359 NA PeJP NA NA +PJ121071 GGGGGGAMHHR C38H60N18O12S 992.436 NA PeJP NA NA +PJ121072 SPMMRWW C46H64N12O9S2 992.4361 NA PeJP NA NA +PJ121073 GDHHRWW C46H56N16O10 992.4366 NA PeJP NA NA +PJ121074 VMWWWW C54H60N10O7S 992.4368 NA PeJP NA NA +PJ121075 TLLEEEEM C41H68N8O18S 992.4373 NA PeJP NA NA +PJ121076 PLLEEMMM C42H72N8O13S3 992.4381 NA PeJP NA NA +PJ121077 DKEEMRW C42H64N12O14S 992.4386 NA PeJP NA NA +PJ121078 SSLEWWW C50H60N10O12 992.4392 NA PeJP NA NA +PJ121079 PVNEYWW C50H60N10O12 992.4393 NA PeJP NA NA +PJ121080 AAPMMMRW C43H68N12O9S3 992.4395 NA PeJP NA NA +PJ121081 GPTCHHRW C43H60N16O10S 992.44 NA PeJP NA NA +PJ121082 AAHHWWW C51H56N14O8 992.4406 NA PeJP NA NA +PJ121083 SSKEEEER C38H64N12O19 992.4411 NA PeJP NA NA +PJ121084 GLQEEMMR C39H68N12O14S2 992.442 NA PeJP NA NA +PJ121085 GNNNQQRY C39H60N16O15 992.4424 NA PeJP NA NA +PJ121086 GGGGGGGQQRY C39H60N16O15 992.4425 NA PeJP NA NA +PJ121087 VDKEMWW C47H64N10O12S 992.4426 NA PeJP NA NA +PJ121088 PPCKMMMR C40H72N12O9S4 992.4429 NA PeJP NA NA +PJ121089 LYYYWW C55H60N8O10 992.4433 NA PeJP NA NA +PJ121090 PCKHHWW C48H60N14O8S 992.444 NA PeJP NA NA +PJ121091 ATTKEEEW C43H64N10O17 992.4451 NA PeJP NA NA +PJ121092 AAAAAVDEEF C43H64N10O17 992.4452 NA PeJP NA NA +PJ121093 SSNNEMRR C36H64N16O15S 992.4458 NA PeJP NA NA +PJ121094 APTKEMMW C44H68N10O12S2 992.446 NA PeJP NA NA +PJ121095 GSSSQRWW C44H60N14O13 992.4465 NA PeJP NA NA +PJ121096 ALMFYYW C52H64N8O10S 992.4466 NA PeJP NA NA +PJ121097 AAPMFFFY C52H64N8O10S 992.4467 NA PeJP NA NA +PJ121098 GCNNHHRR C37H60N20O11S 992.4472 NA PeJP NA NA +PJ121099 AAHHHHHF C45H56N18O9 992.4478 NA PeJP NA NA +PJ121100 AKKEEEEM C40H68N10O17S 992.4485 NA PeJP NA NA +PJ121101 VKEEYYY C48H64N8O15 992.4491 NA PeJP NA NA +PJ121102 PPPVEEYY C48H64N8O15 992.4492 NA PeJP NA NA +PJ121103 PVQKEMMM C41H72N10O12S3 992.4494 NA PeJP NA NA +PJ121104 SEEMRRW C41H64N14O13S 992.4498 NA PeJP NA NA +PJ121105 GGGSDKMRW C41H64N14O13S 992.4499 NA PeJP NA NA +PJ121106 AALMMFFY C49H68N8O10S2 992.45 NA PeJP NA NA +PJ121107 SSNKWWW C49H60N12O11 992.4505 NA PeJP NA NA +PJ121108 SSTEEERR C37H64N14O18 992.4523 NA PeJP NA NA +PJ121109 GGGSSSKEER C37H64N14O18 992.4524 NA PeJP NA NA +PJ121110 TTTTLMYY C45H68N8O15S 992.4525 NA PeJP NA NA +PJ121111 AAEEMMRR C38H68N14O13S2 992.4532 NA PeJP NA NA +PJ121112 GSDEHHRR C38H60N18O14 992.4537 NA PeJP NA NA +PJ121113 SQQKMWW C46H64N12O11S 992.4538 NA PeJP NA NA +PJ121114 SVEMRWW C46H64N12O11S 992.4539 NA PeJP NA NA +PJ121115 GPVYWWW C54H60N10O9 992.4545 NA PeJP NA NA +PJ121116 CCNRRRW C39H64N18O9S2 992.4546 NA PeJP NA NA +PJ121117 VLLEEEMM C42H72N8O15S2 992.4559 NA PeJP NA NA +PJ121118 SSSSPTNKW C42H64N12O16 992.4563 NA PeJP NA NA +PJ121119 SSSLEERW C42H64N12O16 992.4564 NA PeJP NA NA +PJ121120 SSCNDRRR C35H64N18O14S 992.4571 NA PeJP NA NA +PJ121121 LQEMMRW C43H68N12O11S2 992.4572 NA PeJP NA NA +PJ121122 GGGGGLKMMW C43H68N12O11S2 992.4573 NA PeJP NA NA +PJ121123 TQEHHRW C43H60N16O12 992.4577 NA PeJP NA NA +PJ121124 ATLMWWW C51H64N10O9S 992.4579 NA PeJP NA NA +PJ121125 ATKEEEMR C39H68N12O16S 992.4597 NA PeJP NA NA +PJ121126 GGGATDKKEM C39H68N12O16S 992.4598 NA PeJP NA NA +PJ121127 GTTTLEWW C47H64N10O14 992.4604 NA PeJP NA NA +PJ121128 APKEMMMR C40H72N12O11S3 992.4606 NA PeJP NA NA +PJ121129 GSSNMRRW C40H64N16O12S 992.4611 NA PeJP NA NA +PJ121130 VLQMMWW C48H68N10O9S2 992.4612 NA PeJP NA NA +PJ121131 LLNMMWW C48H68N10O9S2 992.4613 NA PeJP NA NA +PJ121132 GNQFRWW C48H60N14O10 992.4617 NA PeJP NA NA +PJ121133 GSSSSQERR C36H64N16O17 992.4636 NA PeJP NA NA +PJ121134 SSLLQEMW C44H68N10O14S 992.4637 NA PeJP NA NA +PJ121135 GTLKEEMW C44H68N10O14S 992.4638 NA PeJP NA NA +PJ121136 SVLYYYW C52H64N8O12 992.4644 NA PeJP NA NA +PJ121137 DEMMRRR C37H68N16O12S2 992.4645 NA PeJP NA NA +PJ121138 GPLKMMMW C45H72N10O9S3 992.4646 NA PeJP NA NA +MJ099209 3-Hydroxy-12-ursen-28-oic acid, 3-O-[4-O-Sulfo-?-D-glucopyranosyl-(1?3)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester C47H76O20S 992.465065 NA MeJP NA NA +MJ099210 Jujubogenin; 3-O-[?-D-Fucopyranosyl-(1?2)-[4-sulfo-?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] C47H76O20S 992.465065 NA MeJP NA NA +PJ121139 SCQKRWW C45H64N14O10S 992.4651 NA PeJP NA NA +PJ121140 PRYWWW C53H60N12O8 992.4657 NA PeJP NA NA +PJ121141 SPTTTTKEE C40H68N10O19 992.4662 NA PeJP NA NA +PJ121142 TTKKEEEE C40H68N10O19 992.4663 NA PeJP NA NA +PJ121143 PTKKEEMM C41H72N10O14S2 992.4671 NA PeJP NA NA +PJ121144 SSSNKERW C41H64N14O15 992.4676 NA PeJP NA NA +PJ121145 LLQMYYY C49H68N8O12S 992.4678 NA PeJP NA NA +PJ121146 PPKKMMMM C42H76N10O9S4 992.468 NA PeJP NA NA +PJ121147 VDMMRRW C42H68N14O10S2 992.4685 NA PeJP NA NA +PJ121148 SDHHRRW C42H60N18O11 992.4689 NA PeJP NA NA +PJ121149 GGSPKHHHH C42H60N18O11 992.469 NA PeJP NA NA +PJ121150 GCKKWWW C50H64N12O8S 992.4691 NA PeJP NA NA +PJ121151 PTLLEEEY C45H68N8O17 992.4703 NA PeJP NA NA +PJ121152 ATTEEMRR C38H68N14O15S 992.471 NA PeJP NA NA +PJ121153 PPLLEMMY C46H72N8O12S2 992.4712 NA PeJP NA NA +PJ121154 GSSDKKWW C46H64N12O13 992.4716 NA PeJP NA NA +PJ121155 GGGGGGGAPLFF C46H64N12O13 992.4717 NA PeJP NA NA +PJ121156 APTMMMRR C39H72N14O10S3 992.4718 NA PeJP NA NA +PJ121157 GAPCCKKMR C39H72N14O10S3 992.4719 NA PeJP NA NA +PJ121158 QEMHHRR C39H64N18O11S 992.4723 NA PeJP NA NA +PJ121159 ALMMRWW C47H68N12O8S2 992.4725 NA PeJP NA NA +PJ121160 ATHHRWW C47H60N16O9 992.473 NA PeJP NA NA +PJ121161 GTTLEMRW C43H68N12O13S 992.475 NA PeJP NA NA +PJ121162 TTTLWWW C51H64N10O11 992.4756 NA PeJP NA NA +PJ121163 GGVLEFWW C51H64N10O11 992.4757 NA PeJP NA NA +PJ121164 VQMHHRW C44H64N16O9S 992.4763 NA PeJP NA NA +PJ121165 TTTKEEER C39H68N12O18 992.4775 NA PeJP NA NA +PJ121166 GLKEEMMR C40H72N12O13S2 992.4784 NA PeJP NA NA +PJ121167 SSSSQRRW C40H64N16O14 992.4788 NA PeJP NA NA +PJ121168 GGGGGGGQKRY C40H64N16O14 992.4789 NA PeJP NA NA +PJ121169 TLKEMWW C48H68N10O11S 992.479 NA PeJP NA NA +PJ121170 ALFFFYW C56H64N8O9 992.4797 NA PeJP NA NA +PJ121171 AAQHHHHR C41H60N20O10 992.4802 NA PeJP NA NA +PJ121172 STTLKEEW C44H68N10O16 992.4815 NA PeJP NA NA +PJ121173 SSNDKMRR C37H68N16O14S 992.4822 NA PeJP NA NA +PJ121174 GVLKEMMW C45H72N10O11S2 992.4824 NA PeJP NA NA +PJ121175 GSSSKRWW C45H64N14O12 992.4828 NA PeJP NA NA +PJ121176 SPERRYW C45H64N14O12 992.4829 NA PeJP NA NA +PJ121177 AALMFFFF C53H68N8O9S 992.483 NA PeJP NA NA +PJ121178 PCCCKKRR C38H72N16O9S3 992.4831 NA PeJP NA NA +PJ121179 CEHHRRR C38H64N20O10S 992.4836 NA PeJP NA NA +PJ121180 SLKKEEEM C41H72N10O16S 992.4849 NA PeJP NA NA +PJ121181 GTTLLYYY C49H68N8O14 992.4855 NA PeJP NA NA +PJ121182 PVKKEMMM C42H76N10O11S3 992.4858 NA PeJP NA NA +PJ121183 GSTQKMRW C42H68N14O12S 992.4862 NA PeJP NA NA +PJ121184 GGGGGAALMFR C42H68N14O12S 992.4863 NA PeJP NA NA +PJ121185 SPVRYWW C50H64N12O10 992.4869 NA PeJP NA NA +PJ121186 AMHHRRW C43H64N18O8S 992.4876 NA PeJP NA NA +PJ121187 TTTTEERR C38H68N14O17 992.4887 NA PeJP NA NA +PJ121188 PVLLEEMY C46H72N8O14S 992.4889 NA PeJP NA NA +PJ121189 GTLEMMRR C39H72N14O12S2 992.4896 NA PeJP NA NA +PJ121190 NNDRRRY C39H64N18O13 992.4901 NA PeJP NA NA +PJ121191 TTLMRWW C47H68N12O10S 992.4902 NA PeJP NA NA +PJ121192 GGTKKMWW C47H68N12O10S 992.4903 NA PeJP NA NA +PJ121193 GVLFWWW C55H64N10O8 992.4909 NA PeJP NA NA +PJ121194 NHHHHRR C40H60N22O9 992.4914 NA PeJP NA NA +PJ121195 STTTLERW C43H68N12O15 992.4927 NA PeJP NA NA +PJ121196 GGSTTKKEW C43H68N12O15 992.4928 NA PeJP NA NA +PJ121197 SSSNMRRR C36H68N18O13S 992.4934 NA PeJP NA NA +PJ121198 LKEMMRW C44H72N12O10S2 992.4936 NA PeJP NA NA +PJ121199 GQQRRYW C44H64N16O11 992.4941 NA PeJP NA NA +PJ121200 PVKMFWW C52H68N10O8S 992.4943 NA PeJP NA NA +PJ121201 STLKEEMR C40H72N12O15S 992.4961 NA PeJP NA NA +PJ121202 SSTTLLWW C48H68N10O13 992.4968 NA PeJP NA NA +PJ121203 SPLKMMMR C41H76N12O10S3 992.497 NA PeJP NA NA +PJ121204 GSTCKRRW C41H68N16O11S 992.4975 NA PeJP NA NA +PJ121205 VLKMMWW C49H72N10O8S2 992.4976 NA PeJP NA NA +PJ121206 GNKFRWW C49H64N14O9 992.4981 NA PeJP NA NA +PJ121207 ASSSTTQRR C37H68N16O16 992.4999 NA PeJP NA NA +PJ121208 GSSSSKERR C37H68N16O16 992.5 NA PeJP NA NA +PJ121209 SSLLKEMW C45H72N10O13S 992.5001 NA PeJP NA NA +PJ121210 GGPVLKEMY C45H72N10O13S 992.5002 NA PeJP NA NA +PJ121211 PLKFYYY C53H68N8O11 992.5008 NA PeJP NA NA +PJ121212 GGGGCCKKKR C38H72N16O11S2 992.5009 NA PeJP NA NA +PJ121213 SCKKRWW C46H68N14O9S 992.5015 NA PeJP NA NA +PJ121214 LFRWWW C54H64N12O7 992.5021 NA PeJP NA NA +PJ121215 SSSTLLKEE C41H72N10O18 992.5026 NA PeJP NA NA +PJ121216 VVKKEEMM C42H76N10O13S2 992.5035 NA PeJP NA NA +PJ121217 SSSDKKRW C42H68N14O14 992.504 NA PeJP NA NA +PJ121218 LLKMYYY C50H72N8O11S 992.5042 NA PeJP NA NA +PJ121219 NKKMMRW C43H72N14O9S2 992.5048 NA PeJP NA NA +PJ121220 TLMMRRW C43H72N14O9S2 992.5049 NA PeJP NA NA +PJ121221 TTHHRRW C43H64N18O10 992.5053 NA PeJP NA NA +PJ121222 VVLLEEEY C46H72N8O16 992.5067 NA PeJP NA NA +PJ121223 STTLEMRR C39H72N14O14S 992.5073 NA PeJP NA NA +PJ121224 TTTLDMRR C39H72N14O14S 992.5074 NA PeJP NA NA +PJ121225 PLLLEMMF C47H76N8O11S2 992.5075 NA PeJP NA NA +PJ121226 GSTTKKWW C47H68N12O12 992.508 NA PeJP NA NA +PJ121227 GVLMMMRR C40H76N14O9S3 992.5082 NA PeJP NA NA +PJ121228 NNMFRRR C40H68N18O10S 992.5087 NA PeJP NA NA +PJ121229 LHHHFFR C48H64N16O8 992.5094 NA PeJP NA NA +PJ121230 LLLLEMMM C44H80N8O11S3 992.5109 NA PeJP NA NA +PJ121231 GSSSSTRRR C36H68N18O15 992.5112 NA PeJP NA NA +PJ121232 SSTLLMRW C44H72N12O12S 992.5114 NA PeJP NA NA +PJ121233 PTLKYWW C52H68N10O10 992.512 NA PeJP NA NA +PJ121234 GSCKMRRR C37H72N18O10S2 992.5121 NA PeJP NA NA +PJ121235 VKMHHRW C45H68N16O8S 992.5127 NA PeJP NA NA +PJ121236 SSSTTLLER C40H72N12O17 992.5139 NA PeJP NA NA +PJ121237 TTLLQMMR C41H76N12O12S2 992.5147 NA PeJP NA NA +PJ121238 SVLKEMMR C41H76N12O12S2 992.5148 NA PeJP NA NA +PJ121239 SSSSKRRW C41H68N16O13 992.5152 NA PeJP NA NA +PJ121240 GGGGGGGPPPKR C41H68N16O13 992.5153 NA PeJP NA NA +PJ121241 GPVLKMYW C49H72N10O10S 992.5154 NA PeJP NA NA +PJ121242 PMMFRRR C42H72N16O8S2 992.5161 NA PeJP NA NA +PJ121243 GPPHHHRR C42H64N20O9 992.5166 NA PeJP NA NA +PJ121244 SSSSTLLLW C45H72N10O15 992.5179 NA PeJP NA NA +PJ121245 SSTQKMRR C38H72N16O13S 992.5186 NA PeJP NA NA +PJ121246 ATLLKMMW C46H76N10O10S2 992.5188 NA PeJP NA NA +PJ121247 ALERRYW C46H68N14O11 992.5192 NA PeJP NA NA +MJ099211 Furostane-3,14,17,22,26-pentol, 22-Me ether, 26-Ac, 3-O-[?-L-rhamnopyranosyl-(1?2)[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] C48H80O21 992.519209 NA MeJP NA NA +PJ121248 GGGGLKRYW C46H68N14O11 992.5193 NA PeJP NA NA +PJ121249 LMMMRRR C39H76N16O8S3 992.5195 NA PeJP NA NA +PJ121250 TMHHRRR C39H68N20O9S 992.5199 NA PeJP NA NA +PJ121251 GTTTLLKEM C42H76N10O15S 992.5213 NA PeJP NA NA +PJ121252 PPVLLEYY C50H72N8O13 992.5219 NA PeJP NA NA +PJ121253 VLLQKMMM C43H80N10O10S3 992.5221 NA PeJP NA NA +PJ121254 AAVVLKMMM C43H80N10O10S3 992.5222 NA PeJP NA NA +PJ121255 GSTKKMRW C43H72N14O11S 992.5226 NA PeJP NA NA +PJ121256 GLLRYWW C51H68N12O9 992.5233 NA PeJP NA NA +PJ121257 GSSTTKKER C39H72N14O16 992.5251 NA PeJP NA NA +PJ121258 VLLLEEMF C47H76N8O13S 992.5253 NA PeJP NA NA +PJ121259 SSLLMMRR C40H76N14O11S2 992.526 NA PeJP NA NA +PJ121260 SQQRRRY C40H68N18O12 992.5264 NA PeJP NA NA +PJ121261 GGTQRRRY C40H68N18O12 992.5265 NA PeJP NA NA +PJ121262 SKKKMWW C48H72N12O9S 992.5266 NA PeJP NA NA +PJ121263 SSTKKKEW C44H72N12O14 992.5291 NA PeJP NA NA +PJ121264 GGGAALKKEY C44H72N12O14 992.5292 NA PeJP NA NA +PJ121265 SSTCKRRR C37H72N18O12S 992.5298 NA PeJP NA NA +PJ121266 AAKKKMMW C45H76N12O9S2 992.53 NA PeJP NA NA +PJ121267 GQKRRYW C45H68N16O10 992.5305 NA PeJP NA NA +PJ121268 SSSSLLLMR C41H76N12O14S 992.5325 NA PeJP NA NA +PJ121269 SSPLLKYW C49H72N10O12 992.5331 NA PeJP NA NA +PJ121270 AALLKEYW C49H72N10O12 992.5332 NA PeJP NA NA +PJ121271 ALLKMMMR C42H80N12O9S3 992.5334 NA PeJP NA NA +PJ121272 QQKMFRR C42H72N16O10S 992.5338 NA PeJP NA NA +PJ121273 VEMFRRR C42H72N16O10S 992.5339 NA PeJP NA NA +PJ121274 PVLHRWW C50H68N14O8 992.5345 NA PeJP NA NA +PJ121275 GSSTTTKRR C38H72N16O15 992.5363 NA PeJP NA NA +PJ121276 TTTLLKMW C46H76N10O12S 992.5365 NA PeJP NA NA +PJ121277 LLKFFYY C54H72N8O10 992.5372 NA PeJP NA NA +PJ121278 GSPQHRRR C39H68N20O11 992.5377 NA PeJP NA NA +PJ121279 VVMFRRW C47H72N14O8S 992.5379 NA PeJP NA NA +PJ121280 STTTTLLKE C42H76N10O17 992.539 NA PeJP NA NA +PJ121281 TLLKKEMM C43H80N10O12S2 992.5399 NA PeJP NA NA +PJ121282 SSTTKKRW C43H72N14O13 992.5404 NA PeJP NA NA +PJ121283 PPLLLMFY C51H76N8O10S 992.5406 NA PeJP NA NA +PJ121284 PNKHRRW C44H68N18O9 992.5417 NA PeJP NA NA +PJ121285 TLLLLEEY C47H76N8O15 992.5431 NA PeJP NA NA +PJ121286 SSKKKEMR C40H76N14O13S 992.5437 NA PeJP NA NA +PJ121287 GGGSTCKKKK C40H76N14O13S 992.5438 NA PeJP NA NA +PJ121288 PLLLLMMY C48H80N8O10S2 992.5439 NA PeJP NA NA +PJ121289 VLKERYW C48H72N12O11 992.5444 NA PeJP NA NA +PJ121290 CQKFRRR C41H72N18O9S 992.5451 NA PeJP NA NA +PJ121291 ATTKKKMW C45H76N12O11S 992.5478 NA PeJP NA NA +PJ121292 VVLKYWW C53H72N10O9 992.5484 NA PeJP NA NA +PJ121293 STTTTTLLR C41H76N12O16 992.5502 NA PeJP NA NA +PJ121294 VTTTTTTLR C41H76N12O16 992.5503 NA PeJP NA NA +PJ121295 TTLLKMMR C42H80N12O11S2 992.5511 NA PeJP NA NA +PJ121296 TLERRRY C42H72N16O12 992.5516 NA PeJP NA NA +PJ121297 GVLLKMFW C50H76N10O9S 992.5518 NA PeJP NA NA +PJ121298 ALLKKEEY C46H76N10O14 992.5543 NA PeJP NA NA +PJ121299 SSTKKMRR C39H76N16O12S 992.555 NA PeJP NA NA +PJ121300 PVLKKMMF C47H80N10O9S2 992.5552 NA PeJP NA NA +MJ099212 Merremoside I; 1?3'' Lactone, 3'''-(2-methylbutanoyl(S-)), 4''''-(2-methylpropanoyl) C49H84O20 992.555595 NA MeJP NA NA +MJ099213 Muricatins; 2'-(2S-Methylbutanoyl), 4''-(2-methylpropanoyl) C49H84O20 992.555595 NA MeJP NA NA +MJ099214 Muricatins; 3'-(S-2-Methylbutanoyl), 4''-(2-methylpropanoyl) C49H84O20 992.555595 NA MeJP NA NA +PJ121301 SLLRRYW C47H72N14O10 992.5556 NA PeJP NA NA +PJ121302 SSTTLLLKM C43H80N10O14S 992.5576 NA PeJP NA NA +PJ121303 SSTTIILKM C43H80N10O14S 992.5577 NA PeJP NA NA +PJ121304 PVLLLEFY C51H76N8O12 992.5583 NA PeJP NA NA +PJ121305 VLLKKMMM C44H84N10O9S3 992.5585 NA PeJP NA NA +PJ121306 AALLMRRY C44H76N14O10S 992.559 NA PeJP NA NA +PJ121307 AKKKFWW C52H72N12O8 992.5596 NA PeJP NA NA +PJ121308 PLKFFRW C52H72N12O8 992.5597 NA PeJP NA NA +PJ121309 SSSSTLKKR C40H76N14O15 992.5615 NA PeJP NA NA +PJ121310 VLLLLEMY C48H80N8O12S 992.5617 NA PeJP NA NA +PJ121311 ATKKKMMR C41H80N14O10S2 992.5624 NA PeJP NA NA +PJ121312 SQKRRRY C41H72N18O11 992.5628 NA PeJP NA NA +PJ121313 GGPPPTRRR C41H72N18O11 992.5629 NA PeJP NA NA +PJ121314 LLKMFRW C49H76N12O8S 992.563 NA PeJP NA NA +PJ121315 TTTTKKKW C45H76N12O13 992.5655 NA PeJP NA NA +PJ121316 GGGGGGPPVLLL C45H76N12O13 992.5656 NA PeJP NA NA +PJ121317 GKKRRYW C46H72N16O9 992.5669 NA PeJP NA NA +PJ121318 TTKKKKEM C42H80N12O13S 992.5689 NA PeJP NA NA +PJ121319 GTLLLKYW C50H76N10O11 992.5695 NA PeJP NA NA +PJ121320 ASPPPLLLW C50H76N10O11 992.5696 NA PeJP NA NA +PJ121321 VLMRRRY C43H76N16O9S 992.5702 NA PeJP NA NA +PJ121322 PTLLKKMY C47H80N10O11S 992.5729 NA PeJP NA NA +PJ121323 PPLLLFFF C55H76N8O9 992.5736 NA PeJP NA NA +PJ121324 GSPKHRRR C40H72N20O10 992.5741 NA PeJP NA NA +PJ121325 ATTLLRRY C44H76N14O12 992.5767 NA PeJP NA NA +PJ121326 SSVLLRRY C44H76N14O12 992.5768 NA PeJP NA NA +PJ121327 PLLLLMFF C52H80N8O9S 992.5769 NA PeJP NA NA +PJ121328 LKHHFRR C45H72N18O8 992.5781 NA PeJP NA NA +PJ121329 TTTKKKMR C41H80N14O12S 992.5801 NA PeJP NA NA +PJ121330 LLLLLMMF C49H84N8O9S2 992.5803 NA PeJP NA NA +PJ121331 LQKKKYW C49H76N12O10 992.5808 NA PeJP NA NA +PJ121332 CKKFRRR C42H76N18O8S 992.5815 NA PeJP NA NA +PJ121333 AVLLKMRY C46H80N12O10S 992.5841 NA PeJP NA NA +PJ121334 GLLLKMRY C46H80N12O10S 992.5842 NA PeJP NA NA +PJ121335 VNHRRRR C39H72N22O9 992.5853 NA PeJP NA NA +PJ121336 SSTTTLKKK C42H80N12O15 992.5866 NA PeJP NA NA +PJ121337 SLKKKKMM C43H84N12O10S2 992.5875 NA PeJP NA NA +PJ121338 DKKKRRY C43H76N16O11 992.588 NA PeJP NA NA +PJ121339 SLLLKKEY C47H80N10O13 992.5907 NA PeJP NA NA +PJ121340 TKKKFRW C48H76N14O9 992.592 NA PeJP NA NA +PJ121341 PVLLLLYY C52H80N8O11 992.5947 NA PeJP NA NA +PJ121342 GVKKKMFR C45H80N14O9S 992.5954 NA PeJP NA NA +PJ121343 GHRRRRR C38H72N24O8 992.5966 NA PeJP NA NA +PJ121344 CCKKKKKK C42H84N14O9S2 992.5988 NA PeJP NA NA +PJ121345 SKKRRRY C42H76N18O10 992.5992 NA PeJP NA NA +PJ121346 STLLLKRY C46H80N12O12 992.6019 NA PeJP NA NA +PJ121347 LLLHRRW C47H76N16O8 992.6032 NA PeJP NA NA +MJ099215 Crellastatin I C58H88O11S 992.604734 NA MeJP NA NA +PJ121348 AAPPLLLLW C51H80N10O10 992.6059 NA PeJP NA NA +PJ121349 KKKMFRR C44H80N16O8S 992.6066 NA PeJP NA NA +PJ121350 VVLLKKMY C48H84N10O10S 992.6093 NA PeJP NA NA +PJ121351 GPPVRRRR C41H76N20O9 992.6105 NA PeJP NA NA +PJ121352 GTLKKKRY C45H80N14O11 992.6131 NA PeJP NA NA +PJ121353 GGGKKKKKY C45H80N14O11 992.6132 NA PeJP NA NA +PJ121354 LKKKKYW C50H80N12O9 992.6172 NA PeJP NA NA +PJ121355 ALKKKKMF C47H84N12O9S 992.6205 NA PeJP NA NA +PJ121356 PPRRRRR C40H76N22O8 992.6217 NA PeJP NA NA +PJ121357 SVLLLHRR C44H80N16O10 992.6244 NA PeJP NA NA +PJ121358 APPLLLLKE C48H84N10O12 992.6271 NA PeJP NA NA +PJ121359 VLLLLLFY C53H84N8O10 992.6311 NA PeJP NA NA +PJ121360 APPLKRRR C43H80N18O9 992.6356 NA PeJP NA NA +PJ121361 SVLKKKKY C47H84N12O11 992.6383 NA PeJP NA NA +PJ121362 VVLLKKFF C52H84N10O9 992.6423 NA PeJP NA NA +PJ121363 LKKHRRR C42H80N20O8 992.6469 NA PeJP NA NA +PJ121364 TLLLLKHR C46H84N14O10 992.6495 NA PeJP NA NA +PJ121365 PPVLKKRR C45H84N16O9 992.6608 NA PeJP NA NA +PJ121366 SPPLLLLLK C49H88N10O11 992.6634 NA PeJP NA NA +PJ121367 PPVTLLLLK C49H88N10O11 992.6635 NA PeJP NA NA +PJ121368 GPVLLLLLR C48H88N12O10 992.6747 NA PeJP NA NA +PJ121369 PLLLLLRR C47H88N14O9 992.6859 NA PeJP NA NA +PJ121370 APLLLLLLK C50H92N10O10 992.6998 NA PeJP NA NA +MJ099216 Archaeol; 3''-Hydroxy, 1-O-[?-D-galactopyranosyl-(1?6)-?-D-galactopyranoside] C55H108O14 992.773908 NA MeJP NA NA +5433 So-D1 (defensin) XTCESPSHKFKGPCATNRNCES 992.9684 MH2+ Inhouse_peptide NA peptide +PJ121371 CCCCCDDDD C31H47N9O18S5 993.1643 NA PeJP NA NA +C01894 Biotinyl-CoA C31H50N9O18P3S2 993.1928 NA KEGG NA NA +MJ099217 Biotinyl-CoA C31H50N9O18P3S2 993.192806 NA MeJP NA NA +MetaCyc04362 biotinyl-CoA [] C31H50N9O18P3S2 993.192807 NA metacyc NA NA +PJ121372 CCCCCCNNE C31H51N11O14S6 993.1942 NA PeJP NA NA +PJ121373 SCCCCDDDM C32H51N9O17S5 993.2007 NA PeJP NA NA +PJ121374 PCCCCCCEM C33H55N9O12S7 993.2016 NA PeJP NA NA +PJ121375 GCCCCCCNW C35H51N11O11S6 993.2094 NA PeJP NA NA +PJ121376 GSSCCCCCND C31H51N11O16S5 993.2119 NA PeJP NA NA +PJ121377 GCCCCDEMM C33H55N9O14S6 993.2193 NA PeJP NA NA +PJ121378 SCCCCCNQM C32H55N11O13S6 993.2305 NA PeJP NA NA +PJ121379 GGSCCCCCQM C32H55N11O13S6 993.2306 NA PeJP NA NA +PJ121380 GCCCCDDEF C36H51N9O16S4 993.2337 NA PeJP NA NA +PJ121381 CCCCDMMW C37H55N9O11S6 993.2346 NA PeJP NA NA +PJ121382 SSCCCDDMM C33H55N9O16S5 993.2371 NA PeJP NA NA +PJ121383 PTCCCCCMM C34H59N9O11S7 993.2379 NA PeJP NA NA +PJ121384 GCCCCCEHH C34H51N13O12S5 993.2384 NA PeJP NA NA +PJ121385 SCCCCCCNR C31H55N13O12S6 993.2418 NA PeJP NA NA +PJ121386 GCCDDDDDH C34H47N11O20S2 993.2441 NA PeJP NA NA +PJ121387 GCCCCNNDY C35H51N11O15S4 993.2449 NA PeJP NA NA +PJ121388 GGGGGCCCCDY C35H51N11O15S4 993.245 NA PeJP NA NA +PJ121389 GSSSCCCCNM C32H55N11O15S5 993.2483 NA PeJP NA NA +PJ121390 CCCCDDFW C40H51N9O13S4 993.249 NA PeJP NA NA +PJ121391 GSCCCDDEY C36H51N9O18S3 993.2515 NA PeJP NA NA +PJ121392 GPCCCCDMY C37H55N9O13S5 993.2523 NA PeJP NA NA +PJ121393 CCCCCHHW C38H51N13O9S5 993.2537 NA PeJP NA NA +PJ121394 GSCCCEMMM C34H59N9O13S6 993.2557 NA PeJP NA NA +PJ121395 SSCCCCDHH C34H51N13O14S4 993.2562 NA PeJP NA NA +PJ121396 SPCCCDDDH C35H51N11O17S3 993.2627 NA PeJP NA NA +PJ121397 GCCCCNNMF C36H55N11O12S5 993.2636 NA PeJP NA NA +PJ121398 SSSSSCCCCQ C32H55N11O17S4 993.2661 NA PeJP NA NA +PJ121399 SCCCDDYW C40H51N9O15S3 993.2667 NA PeJP NA NA +PJ121400 SCCCCCNKM C33H59N11O12S6 993.2669 NA PeJP NA NA +PJ121401 SSSCCDDDY C36H51N9O20S2 993.2692 NA PeJP NA NA +PJ121402 CCNDDMMY C37H55N9O15S4 993.2701 NA PeJP NA NA +PJ121403 SCCCMMMW C38H59N9O10S6 993.271 NA PeJP NA NA +PJ121404 SSSCCDMMM C34H59N9O15S5 993.2735 NA PeJP NA NA +PJ121405 GCCCNNDEH C34H51N13O16S3 993.2739 NA PeJP NA NA +PJ121406 GGGGGCCCDEH C34H51N13O16S3 993.274 NA PeJP NA NA +PJ121407 CCNMMMMM C35H63N9O10S7 993.2743 NA PeJP NA NA +PJ121408 GTCCCCMHH C35H55N13O11S5 993.2748 NA PeJP NA NA +PJ121409 GNNDDDDDD C34H47N11O24 993.2796 NA PeJP NA NA +PJ121410 GSCDDDDMH C35H51N11O19S2 993.2805 NA PeJP NA NA +PJ121411 CCCCDERY C36H55N11O14S4 993.2813 NA PeJP NA NA +PJ121412 GSSSSSSSCCC C32H55N11O19S3 993.2838 NA PeJP NA NA +PJ121413 CCNDDDFY C40H51N9O17S2 993.2845 NA PeJP NA NA +PJ121414 GSSTCCCCCK C33H59N11O14S5 993.2847 NA PeJP NA NA +PJ121415 GCCCEMYW C41H55N9O12S4 993.2853 NA PeJP NA NA +PJ121416 GPCCCCDFF C41H55N9O12S4 993.2854 NA PeJP NA NA +PJ121417 GPDDDDDDM C36H51N9O22S 993.287 NA PeJP NA NA +PJ121418 GSSCCDEMY C37H55N9O17S3 993.2878 NA PeJP NA NA +PJ121419 GSPCCCMMY C38H59N9O12S5 993.2887 NA PeJP NA NA +PJ121420 CCCNNDHW C38H51N13O13S3 993.2892 NA PeJP NA NA +PJ121421 SSCCNNDDH C34H51N13O18S2 993.2917 NA PeJP NA NA +PJ121422 GSTCCMMMM C35H63N9O12S6 993.2921 NA PeJP NA NA +PJ121423 SSSCCCMHH C35H55N13O13S4 993.2926 NA PeJP NA NA +PJ121424 SCCDDEHW C39H51N11O16S2 993.2957 NA PeJP NA NA +PJ121425 PCCCDMHW C40H55N11O11S4 993.2966 NA PeJP NA NA +PJ121426 SSSCDDDEH C35H51N11O21S 993.2982 NA PeJP NA NA +PJ121427 SSSCCCNQY C36H55N11O16S3 993.2991 NA PeJP NA NA +PJ121428 ACCCCCNKF C37H59N11O11S5 993.2999 NA PeJP NA NA +PJ121429 CCCCEMFR C37H59N11O11S5 993.3 NA PeJP NA NA +PJ121430 CCCMYWW C45H55N9O9S4 993.3006 NA PeJP NA NA +PJ121431 PCDDDDEW C40H51N9O19S 993.3022 NA PeJP NA NA +PJ121432 SSSSSCCCCK C33H59N11O16S4 993.3024 NA PeJP NA NA +PJ121433 SSCCDMYW C41H55N9O14S3 993.3031 NA PeJP NA NA +PJ121434 TCCCCCCKK C34H63N11O11S6 993.3033 NA PeJP NA NA +PJ121435 ACCCMMFW C42H59N9O9S5 993.304 NA PeJP NA NA +PJ121436 NDDDEEEE C36H51N9O24 993.3047 NA PeJP NA NA +PJ121437 AADDDDDEE C36H51N9O24 993.3048 NA PeJP NA NA +PJ121438 SSSSCDDMY C37H55N9O19S2 993.3056 NA PeJP NA NA +PJ121439 SCNDMMMY C38H59N9O14S4 993.3065 NA PeJP NA NA +PJ121440 CCCNMHHF C39H55N13O10S4 993.3078 NA PeJP NA NA +HMDB03934 (S)-3-Hydroxytetradecanoyl-CoA C35H62N7O18P3S 993.308472 NA HMDB2010 NA NA +C05260 (S)-3-Hydroxytetradecanoyl-CoA C35H62N7O18P3S 993.3085 NA KEGG NA NA +PJ121441 GCNNNNDDE C34H51N13O20S 993.3094 NA PeJP NA NA +PJ121442 GGGCNNNDDE C34H51N13O20S 993.3095 NA PeJP NA NA +PJ121443 SSSSCMMMM C35H63N9O14S5 993.3098 NA PeJP NA NA +PJ121444 CCDDDMHR C35H55N13O15S3 993.3103 NA PeJP NA NA +PJ121445 CNDDDEHF C39H51N11O18S 993.3135 NA PeJP NA NA +PJ121446 GCDDMMHW C40H55N11O13S3 993.3143 NA PeJP NA NA +PJ121447 GGGPPCCCDW C40H55N11O13S3 993.3144 NA PeJP NA NA +PJ121448 DDDDDDER C35H51N11O23 993.316 NA PeJP NA NA +PJ121449 GSSSSSCCNY C36H55N11O18S2 993.3168 NA PeJP NA NA +PJ121450 GGGPCNDDEM C36H55N11O18S2 993.3169 NA PeJP NA NA +PJ121451 SCCCEMRY C37H59N11O13S4 993.3177 NA PeJP NA NA +PJ121452 CCNDEHHH C37H51N15O14S2 993.3182 NA PeJP NA NA +PJ121453 GPCCCYYW C45H55N9O11S3 993.3184 NA PeJP NA NA +PJ121454 GDDDEEEW C40H51N9O21 993.32 NA PeJP NA NA +PJ121455 GCNDEMYY C41H55N9O16S2 993.3209 NA PeJP NA NA +PJ121456 GSCCCNDHR C34H55N15O14S3 993.3216 NA PeJP NA NA +PJ121457 GTCCMMYW C42H59N9O11S4 993.3217 NA PeJP NA NA +PJ121458 GSPDDDEEM C37H55N9O21S 993.3234 NA PeJP NA NA +PJ121459 GSSSCEMMY C38H59N9O16S3 993.3242 NA PeJP NA NA +PJ121460 CNNNNDDW C38H51N13O17S 993.3247 NA PeJP NA NA +PJ121461 GCQMMMMY C39H63N9O11S5 993.3251 NA PeJP NA NA +PJ121462 SCCNNMHW C39H55N13O12S3 993.3256 NA PeJP NA NA +PJ121463 SSNNNNDDD C34H51N13O22 993.3272 NA PeJP NA NA +PJ121464 GPCCNDDDR C35H55N13O17S2 993.3281 NA PeJP NA NA +PJ121465 GCDDDHFW C43H51N11O15S 993.3287 NA PeJP NA NA +PJ121466 CNNNMMMH C36H59N13O12S4 993.3289 NA PeJP NA NA +PJ121467 GGGGCNMMMH C36H59N13O12S4 993.329 NA PeJP NA NA +PJ121468 CCEMHWW C44H55N11O10S3 993.3296 NA PeJP NA NA +PJ121469 SNNDDDEW C39H51N11O20 993.3312 NA PeJP NA NA +PJ121470 SSCDEMHW C40H55N11O15S2 993.3321 NA PeJP NA NA +PJ121471 SPCCMMHW C41H59N11O10S4 993.333 NA PeJP NA NA +PJ121472 GCCDHHHW C41H51N15O11S2 993.3334 NA PeJP NA NA +PJ121473 CCCFFWW C49H55N9O8S3 993.3336 NA PeJP NA NA +PJ121474 SSSSDDEMH C36H55N11O20S 993.3346 NA PeJP NA NA +PJ121475 DDDEEWW C44H51N9O18 993.3352 NA PeJP NA NA +PJ121476 SSSCCCNKY C37H59N11O15S3 993.3355 NA PeJP NA NA +PJ121477 GSSCDDHHH C37H51N15O16S 993.3359 NA PeJP NA NA +PJ121478 CNDMYYW C45H55N9O13S2 993.3361 NA PeJP NA NA +PJ121479 GCCMMMRY C38H63N11O10S5 993.3363 NA PeJP NA NA +PJ121480 GPTCCCHHH C38H55N15O11S3 993.3368 NA PeJP NA NA +PJ121481 SPDDDEMW C41H55N9O18S 993.3386 NA PeJP NA NA +PJ121482 GCNNNNNNM C34H55N15O16S2 993.3393 NA PeJP NA NA +PJ121483 GGGGGGGGGGGGGCM C34H55N15O16S2 993.3394 NA PeJP NA NA +PJ121484 SSSCMMYW C42H59N9O13S3 993.3395 NA PeJP NA NA +PJ121485 CCCNQMHR C35H59N15O11S4 993.3402 NA PeJP NA NA +PJ121486 SNEEEEEE C37H55N9O23 993.3411 NA PeJP NA NA +PJ121487 SSSSSDMMY C38H59N9O18S2 993.342 NA PeJP NA NA +PJ121488 GSPDDDDHH C38H51N13O19 993.3425 NA PeJP NA NA +PJ121489 SSNMMMMY C39H63N9O13S4 993.3428 NA PeJP NA NA +PJ121490 GGSSMMMMY C39H63N9O13S4 993.3429 NA PeJP NA NA +PJ121491 GSSSCCQHW C39H55N13O14S2 993.3433 NA PeJP NA NA +PJ121492 GGGGGGCDMHF C39H55N13O14S2 993.3434 NA PeJP NA NA +PJ121493 NNDDDDMR C35H55N13O19S 993.3458 NA PeJP NA NA +PJ121494 GGGGDDDDMR C35H55N13O19S 993.3459 NA PeJP NA NA +PJ121495 EEEMMYY C43H59N7O16S2 993.346 NA PeJP NA NA +PJ121496 GSNDDDWW C43H51N11O17 993.3465 NA PeJP NA NA +PJ121497 SCDDMMHR C36H59N13O14S3 993.3467 NA PeJP NA NA +PJ121498 APCCNDWW C44H55N11O12S2 993.3473 NA PeJP NA NA +PJ121499 GPCCNEWW C44H55N11O12S2 993.3474 NA PeJP NA NA +PJ121500 VCNNDDEW C40H55N11O17S 993.3498 NA PeJP NA NA +PJ121501 GNNDEEMW C40H55N11O17S 993.3499 NA PeJP NA NA +PJ121502 GSDMMMHW C41H59N11O12S3 993.3507 NA PeJP NA NA +PJ121503 ACCYYWW C49H55N9O10S2 993.3514 NA PeJP NA NA +PJ121504 ASSNNDEEE C36H55N11O22 993.3523 NA PeJP NA NA +PJ121505 SDDDEEER C36H55N11O22 993.3524 NA PeJP NA NA +PJ121506 PDDDDMMR C37H59N11O17S2 993.3532 NA PeJP NA NA +PJ121507 NNNDDEHH C37H51N15O18 993.3537 NA PeJP NA NA +PJ121508 GSSCEYYW C45H55N9O15S 993.3539 NA PeJP NA NA +PJ121509 STCCMMRY C38H63N11O12S4 993.3541 NA PeJP NA NA +PJ121510 SCNEMHHH C38H55N15O13S2 993.3546 NA PeJP NA NA +PJ121511 CNMMFYW C46H59N9O10S3 993.3547 NA PeJP NA NA +PJ121512 GAPCCCFFF C46H59N9O10S3 993.3548 NA PeJP NA NA +PJ121513 GSEEEEEW C41H55N9O20 993.3564 NA PeJP NA NA +PJ121514 SSCNNNNNQ C34H55N15O18S 993.357 NA PeJP NA NA +PJ121515 GSCNNNDDR C34H55N15O18S 993.3571 NA PeJP NA NA +PJ121516 GSNEMMYY C42H59N9O15S2 993.3572 NA PeJP NA NA +PJ121517 GPDEEMMW C42H59N9O15S2 993.3573 NA PeJP NA NA +PJ121518 GCYYYYY C50H55N7O13S 993.3579 NA PeJP NA NA +PJ121519 GGGGGPCCCQR C35H59N15O13S3 993.358 NA PeJP NA NA +PJ121520 PCCCKMFY C43H63N9O10S4 993.3581 NA PeJP NA NA +PJ121521 GCCNQHFW C43H55N13O11S2 993.3586 NA PeJP NA NA +PJ121522 ASSPDEEEM C38H59N9O20S 993.3597 NA PeJP NA NA +PJ121523 AQEEEEEM C38H59N9O20S 993.3598 NA PeJP NA NA +PJ121524 DEEEFYY C46H55N7O18 993.3604 NA PeJP NA NA +PJ121525 GSSSTMMMY C39H63N9O15S3 993.3606 NA PeJP NA NA +PJ121526 GCNDDERW C39H55N13O16S 993.3611 NA PeJP NA NA +PJ121527 GCKMMMMY C40H67N9O10S5 993.3615 NA PeJP NA NA +PJ121528 SCCCQKHW C40H59N13O11S3 993.362 NA PeJP NA NA +PJ121529 PCCNWWW C48H55N11O9S2 993.3626 NA PeJP NA NA +PJ121530 GSSNDDDER C35H55N13O21 993.3636 NA PeJP NA NA +PJ121531 SSSSNNMMH C36H59N13O16S2 993.3644 NA PeJP NA NA +PJ121532 GSPCNDDMR C36H59N13O16S2 993.3645 NA PeJP NA NA +PJ121533 NNDEMWW C44H55N11O14S 993.3651 NA PeJP NA NA +PJ121534 GCEMMMHR C37H63N13O11S4 993.3653 NA PeJP NA NA +PJ121535 SCCDHHHR C37H55N17O12S2 993.3658 NA PeJP NA NA +PJ121536 TCMMHWW C45H59N11O9S3 993.366 NA PeJP NA NA +PJ121537 SSNNEEEW C40H55N11O19 993.3676 NA PeJP NA NA +PJ121538 SSSEMMHW C41H59N11O14S2 993.3685 NA PeJP NA NA +PJ121539 GNNDDHHW C41H51N15O15 993.369 NA PeJP NA NA +PJ121540 SSCYYWW C49H55N9O12S 993.3691 NA PeJP NA NA +PJ121541 QMMMMHW C42H63N11O9S4 993.3693 NA PeJP NA NA +PJ121542 GAMMMMHW C42H63N11O9S4 993.3694 NA PeJP NA NA +PJ121543 GSCMHHHW C42H55N15O10S2 993.3698 NA PeJP NA NA +PJ121544 GDEEEEMR C37H59N11O19S 993.371 NA PeJP NA NA +PJ121545 SEEEEWW C45H55N9O17 993.3716 NA PeJP NA NA +PJ121546 STQEMMMH C38H63N11O14S3 993.3718 NA PeJP NA NA +PJ121547 GGTTEMMMH C38H63N11O14S3 993.3719 NA PeJP NA NA +PJ121548 PCDDDHHR C38H55N15O15S 993.3723 NA PeJP NA NA +PJ121549 PDEMMWW C46H59N9O12S2 993.3725 NA PeJP NA NA +PJ121550 GNMMMHHH C39H59N15O10S3 993.3732 NA PeJP NA NA +PJ121551 GSSSSNNNNN C34H55N15O20 993.3748 NA PeJP NA NA +PJ121552 GGGGGGGGGGGSSSS C34H55N15O20 993.3749 NA PeJP NA NA +PJ121553 AAEEEEMW C42H59N9O17S 993.375 NA PeJP NA NA +PJ121554 SSSSCCQHR C35H59N15O15S2 993.3757 NA PeJP NA NA +PJ121555 QQMMMYY C43H63N9O12S3 993.3758 NA PeJP NA NA +PJ121556 SPPDMMMW C43H63N9O12S3 993.3759 NA PeJP NA NA +PJ121557 CNDDRWW C43H55N13O13S 993.3763 NA PeJP NA NA +PJ121558 GGCDDRWW C43H55N13O13S 993.3764 NA PeJP NA NA +PJ121559 GPPCCCCRR C36H63N15O10S4 993.3766 NA PeJP NA NA +PJ121560 SDKEEEEE C38H59N9O22 993.3775 NA PeJP NA NA +PJ121561 SSSSTTMMY C39H63N9O17S2 993.3783 NA PeJP NA NA +PJ121562 TTTTTTCCY C39H63N9O17S2 993.3784 NA PeJP NA NA +PJ121563 SSNDDDRW C39H55N13O18 993.3788 NA PeJP NA NA +PJ121564 GGSSDDDRW C39H55N13O18 993.3789 NA PeJP NA NA +PJ121565 PEEMYYY C47H59N7O15S 993.379 NA PeJP NA NA +PJ121566 STCKMMMY C40H67N9O12S4 993.3792 NA PeJP NA NA +PJ121567 GAPPEMMMM C40H67N9O12S4 993.3793 NA PeJP NA NA +PJ121568 SPCCNERW C40H59N13O13S2 993.3797 NA PeJP NA NA +PJ121569 GNDMWWW C48H55N11O11S 993.3804 NA PeJP NA NA +PJ121570 CMMMHRW C41H63N13O8S4 993.3806 NA PeJP NA NA +PJ121571 SNNDEEMR C36H59N13O18S 993.3822 NA PeJP NA NA +PJ121572 GSNNNYYY C44H55N11O16 993.3828 NA PeJP NA NA +PJ121573 GSSNEEWW C44H55N11O16 993.3829 NA PeJP NA NA +PJ121574 SSDMMMHR C37H63N13O13S3 993.3831 NA PeJP NA NA +PJ121575 NNNNNMHH C37H55N17O14S 993.3835 NA PeJP NA NA +PJ121576 GGNNNNMHH C37H55N17O14S 993.3836 NA PeJP NA NA +PJ121577 GSPCQMWW C45H59N11O11S2 993.3837 NA PeJP NA NA +PJ121578 ACCMHHHR C38H59N17O9S3 993.3844 NA PeJP NA NA +PJ121579 DEEEMRW C41H59N11O16S 993.3862 NA PeJP NA NA +PJ121580 GGGGATEEMW C41H59N11O16S 993.3863 NA PeJP NA NA +PJ121581 PDDEFWW C49H55N9O14 993.3869 NA PeJP NA NA +PJ121582 GGGGGGCCDRR C34H59N17O14S2 993.387 NA PeJP NA NA +PJ121583 GTTMMMHW C42H63N11O11S3 993.3871 NA PeJP NA NA +PJ121584 SSTCHHHW C42H55N15O12S 993.3876 NA PeJP NA NA +PJ121585 CNMFFFW C50H59N9O9S2 993.3878 NA PeJP NA NA +PJ121586 SSEEEEER C37H59N11O21 993.3887 NA PeJP NA NA +PJ121587 GGGSSDKEEE C37H59N11O21 993.3888 NA PeJP NA NA +PJ121588 SPDEEMMR C38H63N11O16S2 993.3896 NA PeJP NA NA +PJ121589 NNNNNNQY C38H55N15O17 993.3901 NA PeJP NA NA +PJ121590 GSSTMYYW C46H59N9O14S 993.3902 NA PeJP NA NA +PJ121591 VDEEMWW C46H59N9O14S 993.3903 NA PeJP NA NA +PJ121592 PPCEMMMR C39H67N11O11S4 993.3905 NA PeJP NA NA +PJ121593 GCNNNMRW C39H59N15O12S2 993.3909 NA PeJP NA NA +PJ121594 GGGCNNMRW C39H59N15O12S2 993.391 NA PeJP NA NA +PJ121595 PCCCKFFF C47H63N9O9S3 993.3911 NA PeJP NA NA +PJ121596 PCEHHWW C47H55N13O10S 993.3916 NA PeJP NA NA +PJ121597 GSSSTTEYY C42H59N9O19 993.3927 NA PeJP NA NA +PJ121598 ATTEEEEW C42H59N9O19 993.3928 NA PeJP NA NA +PJ121599 SCNDDERR C35H59N15O17S 993.3934 NA PeJP NA NA +PJ121600 GGSCDDERR C35H59N15O17S 993.3935 NA PeJP NA NA +PJ121601 APTEEMMW C43H63N9O14S2 993.3936 NA PeJP NA NA +PJ121602 SSSNNNWW C43H55N13O15 993.3941 NA PeJP NA NA +PJ121603 PCCNDMRR C36H63N15O12S3 993.3943 NA PeJP NA NA +PJ121604 APPMMMMW C44H67N9O9S4 993.3945 NA PeJP NA NA +PJ121605 GSPCCRWW C44H59N13O10S2 993.395 NA PeJP NA NA +PJ121606 CQWWWW C52H55N11O8S 993.3956 NA PeJP NA NA +PJ121607 AKEEEEEM C39H63N9O19S 993.3961 NA PeJP NA NA +PJ121608 VEEEYYY C47H59N7O17 993.3968 NA PeJP NA NA +PJ121609 PVQEEMMM C40H67N9O14S3 993.397 NA PeJP NA NA +PJ121610 GSNDEMRW C40H59N13O15S 993.3975 NA PeJP NA NA +PJ121611 SSNEWWW C48H55N11O13 993.3981 NA PeJP NA NA +PJ121612 GPCNMMRW C41H63N13O10S3 993.3983 NA PeJP NA NA +PJ121613 GGGPCMMRW C41H63N13O10S3 993.3984 NA PeJP NA NA +PJ121614 GMMHFWW C49H59N11O8S2 993.399 NA PeJP NA NA +PJ121615 SSSSNQQQE C36H59N13O20 993.3999 NA PeJP NA NA +PJ121616 GSSSNEEER C36H59N13O20 993.4 NA PeJP NA NA +PJ121617 GNQEEMMR C37H63N13O15S2 993.4008 NA PeJP NA NA +PJ121618 GGGGAEEMMR C37H63N13O15S2 993.4009 NA PeJP NA NA +PJ121619 SNNDDHHR C37H55N17O16 993.4013 NA PeJP NA NA +PJ121620 GGGGGGGGGGGPNH C37H55N17O16 993.4014 NA PeJP NA NA +PJ121621 SQQEMWW C45H59N11O13S 993.4015 NA PeJP NA NA +PJ121622 GTMMMMHR C38H67N13O10S4 993.4017 NA PeJP NA NA +PJ121623 NYYYWW C53H55N9O11 993.4021 NA PeJP NA NA +PJ121624 SSCMHHHR C38H59N17O11S2 993.4022 NA PeJP NA NA +PJ121625 CQHHHFW C46H55N15O9S 993.4028 NA PeJP NA NA +PJ121626 SSNDKEEW C41H59N11O18 993.404 NA PeJP NA NA +PJ121627 SSPQQMMW C42H63N11O13S2 993.4048 NA PeJP NA NA +PJ121628 STTTMMHW C42H63N11O13S2 993.4049 NA PeJP NA NA +PJ121629 DDEHHRW C42H55N15O14 993.4053 NA PeJP NA NA +PJ121630 GGGGGTEHHW C42H55N15O14 993.4054 NA PeJP NA NA +PJ121631 PPDMYWW C50H59N9O11S 993.4055 NA PeJP NA NA +PJ121632 KMMMMHW C43H67N11O8S4 993.4057 NA PeJP NA NA +PJ121633 SSTTTTEMH C38H63N11O18S 993.4073 NA PeJP NA NA +PJ121634 ATEEEEMR C38H63N11O18S 993.4074 NA PeJP NA NA +PJ121635 SSSTTYYW C46H59N9O16 993.408 NA PeJP NA NA +PJ121636 APEEMMMR C39H67N11O13S3 993.4082 NA PeJP NA NA +PJ121637 GGGGGSPLMMM C39H67N11O13S3 993.4083 NA PeJP NA NA +PJ121638 GSCDDRRW C39H59N15O14S 993.4087 NA PeJP NA NA +PJ121639 TCKMYYW C47H63N9O11S2 993.4089 NA PeJP NA NA +PJ121640 NNNNFWW C47H55N13O12 993.4093 NA PeJP NA NA +PJ121641 GGNNNFWW C47H55N13O12 993.4094 NA PeJP NA NA +PJ121642 APCCCRRW C40H63N15O9S3 993.4096 NA PeJP NA NA +PJ121643 GSSSDDDRR C35H59N15O19 993.4112 NA PeJP NA NA +PJ121644 GTLEEEMW C43H63N9O16S 993.4114 NA PeJP NA NA +PJ121645 PPEYYYY C51H59N7O14 993.412 NA PeJP NA NA +PJ121646 GNDDMMRR C36H63N15O14S2 993.4121 NA PeJP NA NA +PJ121647 QKMMMYY C44H67N9O11S3 993.4122 NA PeJP NA NA +PJ121648 GPLEMMMW C44H67N9O11S3 993.4123 NA PeJP NA NA +PJ121649 SNDMRWW C44H59N13O12S 993.4127 NA PeJP NA NA +PJ121650 GGGGGGAMHFF C44H59N13O12S 993.4128 NA PeJP NA NA +PJ121651 GSSWWWW C52H55N11O10 993.4134 NA PeJP NA NA +PJ121652 TTKEEEEE C39H63N9O21 993.4139 NA PeJP NA NA +PJ121653 PTKEEEMM C40H67N9O16S2 993.4148 NA PeJP NA NA +PJ121654 SSSNEERW C40H59N13O17 993.4152 NA PeJP NA NA +PJ121655 GGGGGGGGVQEY C40H59N13O17 993.4153 NA PeJP NA NA +PJ121656 LEEMFYY C48H63N7O14S 993.4154 NA PeJP NA NA +PJ121657 PPKEMMMM C41H71N9O11S4 993.4156 NA PeJP NA NA +PJ121658 NQEMMRW C41H63N13O12S2 993.4161 NA PeJP NA NA +PJ121659 SPNEHHHH C41H55N17O13 993.4166 NA PeJP NA NA +PJ121660 GTQMWWW C49H59N11O10S 993.4167 NA PeJP NA NA +PJ121661 GGSCLWWW C49H59N11O10S 993.4168 NA PeJP NA NA +PJ121662 SSQQEEMR C37H63N13O17S 993.4186 NA PeJP NA NA +PJ121663 GSTTQEWW C45H59N11O15 993.4192 NA PeJP NA NA +PJ121664 GSSDKEWW C45H59N11O15 993.4193 NA PeJP NA NA +PJ121665 STTMMMHR C38H67N13O12S3 993.4195 NA PeJP NA NA +PJ121666 GNNEMHHR C38H59N17O13S 993.4199 NA PeJP NA NA +PJ121667 GGGNEMHHR C38H59N17O13S 993.42 NA PeJP NA NA +PJ121668 VNQMMWW C46H63N11O10S2 993.4201 NA PeJP NA NA +PJ121669 SNQHHWW C46H55N15O11 993.4206 NA PeJP NA NA +PJ121670 CHFFFFF C54H59N9O8S 993.4208 NA PeJP NA NA +PJ121671 GSQKEEMW C42H63N11O15S 993.4226 NA PeJP NA NA +PJ121672 PVDEYWW C50H59N9O13 993.4233 NA PeJP NA NA +PJ121673 GPNKMMMW C43H67N11O10S3 993.4235 NA PeJP NA NA +PJ121674 QQQMHHW C43H59N15O11S 993.424 NA PeJP NA NA +PJ121675 PPMMFWW C51H63N9O8S2 993.4241 NA PeJP NA NA +PJ121676 TTTEEEER C38H63N11O20 993.4251 NA PeJP NA NA +PJ121677 GLEEEMMR C39H67N11O15S2 993.426 NA PeJP NA NA +PJ121678 NNNNNNKY C39H59N15O16 993.4264 NA PeJP NA NA +PJ121679 GSSSSNNRW C39H59N15O16 993.4265 NA PeJP NA NA +PJ121680 TLEEMWW C47H63N9O13S 993.4266 NA PeJP NA NA +PJ121681 GPVEEMFW C47H63N9O13S 993.4267 NA PeJP NA NA +PJ121682 PPTMMMMR C40H71N11O10S4 993.4269 NA PeJP NA NA +PJ121683 CNEMRRW C40H63N15O11S2 993.4273 NA PeJP NA NA +PJ121684 GGGGACCKRW C40H63N15O11S2 993.4274 NA PeJP NA NA +PJ121685 PLMMMWW C48H67N9O8S3 993.4275 NA PeJP NA NA +PJ121686 GNQQHHHH C40H55N19O12 993.4278 NA PeJP NA NA +PJ121687 GTCRWWW C48H59N13O9S 993.428 NA PeJP NA NA +PJ121688 STTLEEEW C43H63N9O18 993.4291 NA PeJP NA NA +PJ121689 APKEEEEY C43H63N9O18 993.4292 NA PeJP NA NA +PJ121690 SSNDEMRR C36H63N15O16S 993.4298 NA PeJP NA NA +PJ121691 GGGGGGGSTTMR C36H63N15O16S 993.4299 NA PeJP NA NA +PJ121692 GVLEEMMW C44H67N9O13S2 993.43 NA PeJP NA NA +PJ121693 GSSSERWW C44H59N13O14 993.4305 NA PeJP NA NA +PJ121694 SPCNMMRR C37H67N15O11S3 993.4307 NA PeJP NA NA +PJ121695 GCNDHHRR C37H59N19O12S 993.4312 NA PeJP NA NA +PJ121696 VCNMRWW C45H63N13O9S2 993.4313 NA PeJP NA NA +PJ121697 GQMMRWW C45H63N13O9S2 993.4314 NA PeJP NA NA +PJ121698 GSPHHHHW C45H55N17O10 993.4318 NA PeJP NA NA +PJ121699 CKWWWW C53H59N11O7S 993.432 NA PeJP NA NA +PJ121700 SLKEEEEM C40H67N9O18S 993.4325 NA PeJP NA NA +PJ121701 PVKEEMMM C41H71N9O13S3 993.4334 NA PeJP NA NA +PJ121702 SSVCQERW C41H63N13O14S 993.4338 NA PeJP NA NA +PJ121703 GSTQEMRW C41H63N13O14S 993.4339 NA PeJP NA NA +PJ121704 SSDKWWW C49H59N11O12 993.4345 NA PeJP NA NA +PJ121705 APCCKMRW C42H67N13O9S3 993.4347 NA PeJP NA NA +PJ121706 NNMHHRW C42H59N17O10S 993.4352 NA PeJP NA NA +PJ121707 GSTTTDQER C37H63N13O19 993.4363 NA PeJP NA NA +PJ121708 GSSSDKEER C37H63N13O19 993.4364 NA PeJP NA NA +PJ121709 GNKEEMMR C38H67N13O14S2 993.4372 NA PeJP NA NA +PJ121710 GGGGGGDKKMM C38H67N13O14S2 993.4373 NA PeJP NA NA +PJ121711 SSNQEHHR C38H59N17O15 993.4377 NA PeJP NA NA +PJ121712 SQKEMWW C46H63N11O12S 993.4379 NA PeJP NA NA +PJ121713 PPDFFWW C54H59N9O10 993.4385 NA PeJP NA NA +PJ121714 CCDRRRW C39H63N17O10S2 993.4386 NA PeJP NA NA +PJ121715 CKHHHFW C47H59N15O8S 993.4392 NA PeJP NA NA +PJ121716 SSTQKEEW C42H63N11O17 993.4404 NA PeJP NA NA +PJ121717 SSCDDRRR C35H63N17O15S 993.4411 NA PeJP NA NA +PJ121718 LEEMMRW C43H67N11O12S2 993.4412 NA PeJP NA NA +MJ099218 Atosiban C43H67N11O12S2 993.441208 NA MeJP NA NA +PJ121719 AAQKEMMW C43H67N11O12S2 993.4413 NA PeJP NA NA +PJ121720 NNNQRYW C43H59N15O13 993.4417 NA PeJP NA NA +PJ121721 GGGGGGGGPVHW C43H59N15O13 993.4418 NA PeJP NA NA +PJ121722 PVEMFWW C51H63N9O10S 993.4419 NA PeJP NA NA +PJ121723 GCMRRWW C44H63N15O8S2 993.4426 NA PeJP NA NA +PJ121724 TTTTTTTMH C39H67N11O17S 993.4437 NA PeJP NA NA +PJ121725 STLEEEMR C39H67N11O17S 993.4438 NA PeJP NA NA +PJ121726 GPTLEEYW C47H63N9O15 993.4444 NA PeJP NA NA +PJ121727 SPLEMMMR C40H71N11O12S3 993.4446 NA PeJP NA NA +PJ121728 GSSDMRRW C40H63N15O13S 993.4451 NA PeJP NA NA +PJ121729 VLEMMWW C48H67N9O10S2 993.4453 NA PeJP NA NA +PJ121730 SSSRWWW C48H59N13O11 993.4457 NA PeJP NA NA +PJ121731 GGGPPTHWW C48H59N13O11 993.4458 NA PeJP NA NA +PJ121732 APCHHHHR C41H59N19O9S 993.4464 NA PeJP NA NA +PJ121733 GSSSSEERR C36H63N15O18 993.4476 NA PeJP NA NA +PJ121734 SSLLEEMW C44H67N9O15S 993.4478 NA PeJP NA NA +PJ121735 PLEFYYY C52H63N7O13 993.4484 NA PeJP NA NA +PJ121736 GSQEMMRR C37H67N15O13S2 993.4485 NA PeJP NA NA +PJ121737 SPVLMMMW C45H71N9O10S3 993.4486 NA PeJP NA NA +PJ121738 GAPPLMMMF C45H71N9O10S3 993.4487 NA PeJP NA NA +PJ121739 STQMRWW C45H63N13O11S 993.4491 NA PeJP NA NA +PJ121740 AAQFWWW C53H59N11O9 993.4498 NA PeJP NA NA +PJ121741 SSSTLLEEE C40H67N9O20 993.4503 NA PeJP NA NA +PJ121742 VVKEEEMM C41H71N9O15S2 993.4511 NA PeJP NA NA +PJ121743 GATLLEEMM C41H71N9O15S2 993.4512 NA PeJP NA NA +PJ121744 SSSDKERW C41H63N13O16 993.4516 NA PeJP NA NA +PJ121745 GGGGGGGGPPPVE C41H63N13O16 993.4517 NA PeJP NA NA +PJ121746 LLEMYYY C49H67N7O13S 993.4518 NA PeJP NA NA +PJ121747 PLLQMMMM C42H75N9O10S4 993.452 NA PeJP NA NA +PJ121748 NKEMMRW C42H67N13O11S2 993.4525 NA PeJP NA NA +PJ121749 GSSQHHRW C42H59N17O12 993.4529 NA PeJP NA NA +PJ121750 ASSNHHRW C42H59N17O12 993.453 NA PeJP NA NA +PJ121751 GTKMWWW C50H63N11O9S 993.4531 NA PeJP NA NA +PJ121752 SSQKEEMR C38H67N13O16S 993.455 NA PeJP NA NA +PJ121753 GSTTKEWW C46H63N11O14 993.4556 NA PeJP NA NA +PJ121754 GGGGGVLEYW C46H63N11O14 993.4557 NA PeJP NA NA +PJ121755 SPNKMMMR C39H71N13O11S3 993.4559 NA PeJP NA NA +PJ121756 GCNNQFRR C39H63N17O12S 993.4563 NA PeJP NA NA +PJ121757 GGGGGGACFRR C39H63N17O12S 993.4564 NA PeJP NA NA +PJ121758 VNKMMWW C47H67N11O9S2 993.4565 NA PeJP NA NA +PJ121759 SNKHHWW C47H59N15O10 993.457 NA PeJP NA NA +PJ121760 SSSSSNNRR C35H63N17O17 993.4588 NA PeJP NA NA +PJ121761 GSKKEEMW C43H67N11O14S 993.459 NA PeJP NA NA +PJ121762 PTLEYWW C51H63N9O12 993.4596 NA PeJP NA NA +PJ121763 VVEEFWW C51H63N9O12 993.4597 NA PeJP NA NA +PJ121764 APCKKMMW C44H71N11O9S3 993.4599 NA PeJP NA NA +PJ121765 STCRRWW C44H63N15O10S 993.4603 NA PeJP NA NA +PJ121766 GGPCRRYW C44H63N15O10S 993.4604 NA PeJP NA NA +PJ121767 NFRWWW C52H59N13O8 993.461 NA PeJP NA NA +PJ121768 GSSTKKEEE C39H67N11O19 993.4615 NA PeJP NA NA +PJ121769 SVLEEMMR C40H71N11O14S2 993.4624 NA PeJP NA NA +PJ121770 SSSSERRW C40H63N15O15 993.4628 NA PeJP NA NA +PJ121771 GGGAEERRY C40H63N15O15 993.4629 NA PeJP NA NA +PJ121772 GPVLEMYW C48H67N9O12S 993.463 NA PeJP NA NA +PJ121773 PCLLMMMR C41H75N11O9S4 993.4632 NA PeJP NA NA +PJ121774 PVVMMMMR C41H75N11O9S4 993.4633 NA PeJP NA NA +PJ121775 SQMMRRW C41H67N15O10S2 993.4637 NA PeJP NA NA +PJ121776 AAEHHHHR C41H59N19O11 993.4642 NA PeJP NA NA +PJ121777 VVMHHWW C49H63N13O8S 993.4644 NA PeJP NA NA +PJ121778 SPLKEEEY C44H67N9O17 993.4655 NA PeJP NA NA +PJ121779 SSTQEMRR C37H67N15O15S 993.4662 NA PeJP NA NA +PJ121780 ATLLEMMW C45H71N9O12S2 993.4664 NA PeJP NA NA +PJ121781 GSTTTRWW C45H63N13O13 993.4669 NA PeJP NA NA +PJ121782 AAQMMMRR C38H71N15O10S3 993.4671 NA PeJP NA NA +PJ121783 GSNMHHRR C38H63N19O11S 993.4676 NA PeJP NA NA +PJ121784 GKMMRWW C46H67N13O8S2 993.4677 NA PeJP NA NA +PJ121785 LQHHHHW C46H59N17O9 993.4682 NA PeJP NA NA +PJ121786 GTTTLLEEM C41H71N9O17S 993.4689 NA PeJP NA NA +PJ121787 VLLQEMMM C42H75N9O12S3 993.4698 NA PeJP NA NA +PJ121788 GSTKEMRW C42H67N13O13S 993.4702 NA PeJP NA NA +PJ121789 GGGGSSKKMW C42H67N13O13S 993.4703 NA PeJP NA NA +PJ121790 STTKWWW C50H63N11O11 993.4709 NA PeJP NA NA +PJ121791 CQKHHRW C43H63N17O9S 993.4716 NA PeJP NA NA +PJ121792 GSSTTKEER C38H67N13O18 993.4727 NA PeJP NA NA +PJ121793 GGGGGSSSSTLK C38H67N13O18 993.4728 NA PeJP NA NA +PJ121794 GDKKEMMR C39H71N13O13S2 993.4736 NA PeJP NA NA +PJ121795 NDDRRRY C39H63N17O14 993.4741 NA PeJP NA NA +PJ121796 AKMRYYY C47H67N11O11S 993.4742 NA PeJP NA NA +PJ121797 SKKEMWW C47H67N11O11S 993.4743 NA PeJP NA NA +PJ121798 PPVFYWW C55H63N9O9 993.4749 NA PeJP NA NA +PJ121799 SCMRRRW C40H67N17O9S2 993.475 NA PeJP NA NA +PJ121800 DHHHHRR C40H59N21O10 993.4754 NA PeJP NA NA +PJ121801 ASTTTTLNW C43H67N11O16 993.4767 NA PeJP NA NA +PJ121802 SSTKKEEW C43H67N11O16 993.4768 NA PeJP NA NA +PJ121803 SSSDMRRR C36H67N17O14S 993.4775 NA PeJP NA NA +PJ121804 AAKKEMMW C44H71N11O11S2 993.4776 NA PeJP NA NA +PJ121805 GGGGPLKMMF C44H71N11O11S2 993.4777 NA PeJP NA NA +PJ121806 GQERRYW C44H63N15O12 993.4781 NA PeJP NA NA +PJ121807 PVLMYWW C52H67N9O9S 993.4783 NA PeJP NA NA +8127 peptide derived from muscle protein of bullfrog (Rana catesbeiana Shaw) LEQQVDDLEGSLEQEKK 993.4784 MH2+ Inhouse_peptide NA peptide +PJ121808 SDKKKEEM C40H71N11O16S 993.4801 NA PeJP NA NA +PJ121809 AALLEEYW C48H67N9O14 993.4808 NA PeJP NA NA +PJ121810 ALLEMMMR C41H75N11O11S3 993.481 NA PeJP NA NA +PJ121811 GSTTMRRW C41H67N15O12S 993.4815 NA PeJP NA NA +PJ121812 GPLLMMFW C49H71N9O9S2 993.4817 NA PeJP NA NA +PJ121813 GVQRYWW C49H63N13O10 993.4821 NA PeJP NA NA +PJ121814 GSSTTTERR C37H67N15O17 993.484 NA PeJP NA NA +PJ121815 SPPTTCLLY C45H71N9O14S 993.4841 NA PeJP NA NA +PJ121816 TTTLLEMW C45H71N9O14S 993.4842 NA PeJP NA NA +3991 f(1-16 of bovine lactoferrin APRKNVRWCTISQPEW 993.48445 MH2+ Inhouse_peptide NA peptide +PJ121817 PLLYYYY C53H67N7O12 993.4848 NA PeJP NA NA +PJ121818 GSKEMMRR C38H71N15O12S2 993.4849 NA PeJP NA NA +PJ121819 GLLLMMMW C46H75N9O9S3 993.485 NA PeJP NA NA +PJ121820 SSSQHHRR C38H63N19O13 993.4853 NA PeJP NA NA +PJ121821 STKMRWW C46H67N13O10S 993.4855 NA PeJP NA NA +PJ121822 AAKFWWW C54H63N11O8 993.4861 NA PeJP NA NA +PJ121823 LHHFFFF C54H63N11O8 993.4862 NA PeJP NA NA +PJ121824 STTTTLLEE C41H71N9O19 993.4866 NA PeJP NA NA +PJ121825 TTTTTLLDE C41H71N9O19 993.4867 NA PeJP NA NA +PJ121826 TLLKEEMM C42H75N9O14S2 993.4875 NA PeJP NA NA +PJ121827 SSTTKERW C42H67N13O15 993.488 NA PeJP NA NA +PJ121828 PLLKMMMM C43H79N9O9S4 993.4884 NA PeJP NA NA +PJ121829 DKKMMRW C43H71N13O10S2 993.4889 NA PeJP NA NA +PJ121830 PNEHRRW C43H63N17O11 993.4893 NA PeJP NA NA +PJ121831 GGPEHRRW C43H63N17O11 993.4894 NA PeJP NA NA +PJ121832 PCKKFWW C51H67N11O8S 993.4895 NA PeJP NA NA +PJ121833 SSKKEEMR C39H71N13O15S 993.4914 NA PeJP NA NA +PJ121834 SSSTLKWW C47H67N11O13 993.492 NA PeJP NA NA +PJ121835 GLQKMMMR C40H75N13O10S3 993.4922 NA PeJP NA NA +PJ121836 AAACLKMMR C40H75N13O10S3 993.4923 NA PeJP NA NA +PJ121837 GSPCRRRY C40H67N17O11S 993.4927 NA PeJP NA NA +PJ121838 CLKKMWW C48H71N11O8S2 993.4929 NA PeJP NA NA +PJ121839 QRRYWW C48H63N15O9 993.4934 NA PeJP NA NA +PJ121840 ATTKKEMW C44H71N11O13S 993.4954 NA PeJP NA NA +PJ121841 VVLEYWW C52H67N9O11 993.496 NA PeJP NA NA +PJ121842 GPVLEFFW C52H67N9O11 993.4961 NA PeJP NA NA +PJ121843 AQMFRRW C45H67N15O9S 993.4967 NA PeJP NA NA +PJ121844 SSSSLKKEE C40H71N11O18 993.4979 NA PeJP NA NA +PJ121845 TTLLEMMR C41H75N11O13S2 993.4988 NA PeJP NA NA +PJ121846 SSTTTRRW C41H67N15O14 993.4992 NA PeJP NA NA +PJ121847 GGGGGDKKRY C41H67N15O14 993.4993 NA PeJP NA NA +PJ121848 APTLLMYW C49H71N9O11S 993.4994 NA PeJP NA NA +PJ121849 SKMMRRW C42H71N15O9S2 993.5001 NA PeJP NA NA +PJ121850 NQHHFRR C42H63N19O10 993.5006 NA PeJP NA NA +PJ121851 ALLKEEEY C45H71N9O16 993.5019 NA PeJP NA NA +PJ121852 SSTKEMRR C38H71N15O14S 993.5026 NA PeJP NA NA +PJ121853 STLLLMMW C46H75N9O11S2 993.5028 NA PeJP NA NA +PJ121854 ASSPKRYW C46H67N13O12 993.5032 NA PeJP NA NA +PJ121855 VNKERYW C46H67N13O12 993.5033 NA PeJP NA NA +PJ121856 AAKMMMRR C39H75N15O9S3 993.5035 NA PeJP NA NA +PJ121857 GTCKHHRR C39H67N19O10S 993.504 NA PeJP NA NA +PJ121858 GPHRRWW C47H63N17O8 993.5046 NA PeJP NA NA +PJ121859 SSTTLLLEM C42H75N9O16S 993.5053 NA PeJP NA NA +PJ121860 VLLKEMMM C43H79N9O11S3 993.5062 NA PeJP NA NA +PJ121861 SSSLKMRW C43H71N13O12S 993.5066 NA PeJP NA NA +PJ121862 GGGGGGVKKMF C43H71N13O12S 993.5067 NA PeJP NA NA +PJ121863 SPKKYWW C51H67N11O10 993.5073 NA PeJP NA NA +PJ121864 ACFRRRW C44H67N17O8S 993.508 NA PeJP NA NA +PJ121865 SSSSTLKER C39H71N13O17 993.5091 NA PeJP NA NA +PJ121866 ATKKEMMR C40H75N13O12S2 993.51 NA PeJP NA NA +PJ121867 SQERRRY C40H67N17O13 993.5105 NA PeJP NA NA +PJ121868 AAPKKMYW C48H71N11O10S 993.5106 NA PeJP NA NA +PJ121869 GPCLKKYW C48H71N11O10S 993.5107 NA PeJP NA NA +PJ121870 PVLFFWW C56H67N9O8 993.5113 NA PeJP NA NA +PJ121871 TTTTKKEW C44H71N11O15 993.5131 NA PeJP NA NA +PJ121872 VVVTEERY C44H71N11O15 993.5132 NA PeJP NA NA +PJ121873 SSTTMRRR C37H71N17O13S 993.5138 NA PeJP NA NA +PJ121874 GTLKKMMW C45H75N11O10S2 993.514 NA PeJP NA NA +PJ121875 GKERRYW C45H67N15O11 993.5145 NA PeJP NA NA +PJ121876 VLLMFWW C53H71N9O8S 993.5147 NA PeJP NA NA +PJ121877 TTKKKEEM C41H75N11O15S 993.5165 NA PeJP NA NA +PJ121878 GTLLLEYW C49H71N9O13 993.5172 NA PeJP NA NA +PJ121879 SLLLMMMR C42H79N11O10S3 993.5174 NA PeJP NA NA +PJ121880 GSPKMRRY C42H71N15O11S 993.5179 NA PeJP NA NA +PJ121881 GVKRYWW C50H67N13O9 993.5185 NA PeJP NA NA +PJ121882 SSSSTTLRR C38H71N15O16 993.5203 NA PeJP NA NA +PJ121883 ASTTTTTRR C38H71N15O16 993.5204 NA PeJP NA NA +PJ121884 PTLLKEMY C46H75N9O13S 993.5205 NA PeJP NA NA +PJ121885 AAALLLEMY C46H75N9O13S 993.5206 NA PeJP NA NA +PJ121886 LLLFYYY C54H71N7O11 993.5212 NA PeJP NA NA +PJ121887 GSPEHRRR C39H67N19O12 993.5217 NA PeJP NA NA +PJ121888 VQKMFRW C47H71N13O9S 993.5219 NA PeJP NA NA +PJ121889 SSSLLLLMM C43H79N9O13S2 993.5239 NA PeJP NA NA +PJ121890 TTTTTKRW C43H71N13O14 993.5244 NA PeJP NA NA +PJ121891 ACCKKKKW C44H75N13O9S2 993.5253 NA PeJP NA NA +PJ121892 GTRRRYW C44H67N17O10 993.5257 NA PeJP NA NA +3477 alpha amylase ligand from Hordeum vulgare PRHVFYRWFLSNPRI 993.52695 MH2+ Inhouse_peptide NA peptide +PJ121893 SSSSVLKMR C40H75N13O14S 993.5277 NA PeJP NA NA +PJ121894 TTTKKEMR C40H75N13O14S 993.5278 NA PeJP NA NA +PJ121895 LQKKEYW C48H71N11O12 993.5284 NA PeJP NA NA +PJ121896 GLKKMMMR C41H79N13O9S3 993.5286 NA PeJP NA NA +PJ121897 VNMRRRY C41H71N17O10S 993.5291 NA PeJP NA NA +PJ121898 KRRYWW C49H67N15O8 993.5297 NA PeJP NA NA +PJ121899 PPPRRWW C49H67N15O8 993.5298 NA PeJP NA NA +PJ121900 STTLKKMW C45H75N11O12S 993.5318 NA PeJP NA NA +PJ121901 TLLLYWW C53H71N9O10 993.5324 NA PeJP NA NA +PJ121902 NQQHRRR C38H67N21O11 993.5329 NA PeJP NA NA +PJ121903 GGGAQHRRR C38H67N21O11 993.533 NA PeJP NA NA +PJ121904 AKMFRRW C46H71N15O8S 993.5331 NA PeJP NA NA +PJ121905 SSTTTLKKE C41H75N11O17 993.5343 NA PeJP NA NA +PJ121906 GTTCLLKKM C42H79N11O12S2 993.5351 NA PeJP NA NA +PJ121907 SLKKKEMM C42H79N11O12S2 993.5352 NA PeJP NA NA +PJ121908 DKKERRY C42H71N15O13 993.5356 NA PeJP NA NA +PJ121909 GGGGGGGPPLLR C42H71N15O13 993.5357 NA PeJP NA NA +PJ121910 GVLLLMYW C50H75N9O10S 993.5358 NA PeJP NA NA +PJ121911 SPHRRRW C43H67N19O9 993.537 NA PeJP NA NA +PJ121912 SLLLKEEY C46H75N9O15 993.5383 NA PeJP NA NA +PJ121913 TTTTKMRR C39H75N15O13S 993.539 NA PeJP NA NA +PJ121914 PVLLKMMY C47H79N9O10S2 993.5392 NA PeJP NA NA +PJ121915 VDKKRYW C47H71N13O11 993.5396 NA PeJP NA NA +PJ121916 PPPVDKRW C47H71N13O11 993.5397 NA PeJP NA NA +PJ121917 GMRRRRY C40H71N19O9S 993.5403 NA PeJP NA NA +PJ121918 TTTTTLLLM C43H79N9O15S 993.5417 NA PeJP NA NA +PJ121919 SSCKKKKW C44H75N13O11S 993.543 NA PeJP NA NA +PJ121920 ALKKYWW C52H71N11O9 993.5437 NA PeJP NA NA +PJ121921 SSTTTTLKR C40H75N13O16 993.5455 NA PeJP NA NA +PJ121922 STLKKMMR C41H79N13O11S2 993.5464 NA PeJP NA NA +PJ121923 AATTRRRY C41H71N17O12 993.5468 NA PeJP NA NA +PJ121924 SKERRRY C41H71N17O12 993.5469 NA PeJP NA NA +PJ121925 LLLMRYW C49H75N11O9S 993.547 NA PeJP NA NA +PJ121926 STLLLERY C45H75N11O14 993.5495 NA PeJP NA NA +PJ121927 AAVLLLEEH C45H75N11O14 993.5496 NA PeJP NA NA +PJ121928 ALLLMMFR C46H79N11O9S2 993.5504 NA PeJP NA NA +PJ121929 SVKRRYW C46H71N15O10 993.5509 NA PeJP NA NA +PJ121930 SSSTLLKKM C42H79N11O14S 993.5529 NA PeJP NA NA +PJ121931 SSLLLLYW C50H75N9O12 993.5536 NA PeJP NA NA +PJ121932 VVKKKMMM C43H83N11O9S3 993.5538 NA PeJP NA NA +PJ121933 LQKMRRY C43H75N15O10S 993.5542 NA PeJP NA NA +PJ121934 GALKMRRY C43H75N15O10S 993.5543 NA PeJP NA NA +PJ121935 PLKKHWW C51H71N13O8 993.5549 NA PeJP NA NA +PJ121936 SSSSSKKKR C39H75N15O15 993.5567 NA PeJP NA NA +PJ121937 VVLLKEMY C47H79N9O12S 993.5569 NA PeJP NA NA +PJ121938 TCCKKKKR C40H79N15O10S2 993.5576 NA PeJP NA NA +PJ121939 STRRRRY C40H71N19O11 993.5581 NA PeJP NA NA +PJ121940 VKKMFRW C48H75N13O8S 993.5583 NA PeJP NA NA +PJ121941 GTLKKERY C44H75N13O13 993.5608 NA PeJP NA NA +PJ121942 VLQHRRW C45H71N17O9 993.5621 NA PeJP NA NA +PJ121943 GSSTKKKKM C41H79N13O13S 993.5641 NA PeJP NA NA +PJ121944 LKKKEYW C49H75N11O11 993.5648 NA PeJP NA NA +PJ121945 CLKRRRY C42H75N17O9S 993.5655 NA PeJP NA NA +PJ121946 SVLLLMRY C46H79N11O11S 993.5682 NA PeJP NA NA +PJ121947 GVLLLFFW C54H75N9O9 993.5688 NA PeJP NA NA +PJ121948 VDHRRRR C39H71N21O10 993.5693 NA PeJP NA NA +PJ121949 TTTTTTLKK C42H79N11O16 993.5706 NA PeJP NA NA +PJ121950 GTTLKRRY C43H75N15O12 993.572 NA PeJP NA NA +PJ121951 PVLLKMFF C51H79N9O9S 993.5722 NA PeJP NA NA +PJ121952 GFFRRRR C44H71N19O8 993.5733 NA PeJP NA NA +PJ121953 ALHRRRW C44H71N19O8 993.5734 NA PeJP NA NA +PJ121954 GTTTLLLLY C47H79N9O14 993.5747 NA PeJP NA NA +PJ121955 VLLLKMMF C48H83N9O9S2 993.5756 NA PeJP NA NA +PJ121956 TLKKRYW C48H75N13O10 993.576 NA PeJP NA NA +PJ121957 GVLKKMRY C45H79N13O10S 993.5794 NA PeJP NA NA +PJ121958 LLLFFRW C53H75N11O8 993.5801 NA PeJP NA NA +PJ121959 SSSTTKKKK C41H79N13O15 993.5819 NA PeJP NA NA +PJ121960 TCKKKKKM C42H83N13O10S2 993.5828 NA PeJP NA NA +PJ121961 SPTLKHRR C42H75N17O11 993.5832 NA PeJP NA NA +PJ121962 APPLERRR C42H75N17O11 993.5833 NA PeJP NA NA +PJ121963 SVLKKKEY C46H79N11O13 993.5859 NA PeJP NA NA +PJ121964 GPPLLRRW C47H75N15O9 993.5873 NA PeJP NA NA +PJ121965 PVVLLKYY C51H79N9O11 993.5899 NA PeJP NA NA +PJ121966 GGVLLLLFY C51H79N9O11 993.59 NA PeJP NA NA +PJ121967 LKKMRRY C44H79N15O9S 993.5906 NA PeJP NA NA +PJ121968 TLLLLKMY C48H83N9O11S 993.5933 NA PeJP NA NA +PJ121969 LKEHRRR C41H75N19O10 993.5945 NA PeJP NA NA +PJ121970 SSLLKKRY C45H79N13O12 993.5972 NA PeJP NA NA +PJ121971 VLKHRRW C46H75N17O8 993.5985 NA PeJP NA NA +PJ121972 SLLLLLHW C50H79N11O10 993.6012 NA PeJP NA NA +PJ121973 ALLKKKMY C47H83N11O10S 993.6046 NA PeJP NA NA +PJ121974 TLHRRRR C40H75N21O9 993.6057 NA PeJP NA NA +PJ121975 GSKKKKRY C44H79N15O11 993.6084 NA PeJP NA NA +PJ121976 SPPLLLLLE C48H83N9O13 993.6111 NA PeJP NA NA +PJ121977 PPVVLKRW C49H79N13O9 993.6124 NA PeJP NA NA +PJ121978 VLLLLMHR C46H83N13O9S 993.6158 NA PeJP NA NA +PJ121979 SPPLLRRR C43H79N17O10 993.6196 NA PeJP NA NA +PJ121980 TTLLKKKY C47H83N11O12 993.6223 NA PeJP NA NA +PJ121981 LKKFFRR C48H79N15O8 993.6237 NA PeJP NA NA +PJ121982 VVLLLKFY C52H83N9O10 993.6263 NA PeJP NA NA +PJ121983 PPVVLLLLM C49H87N9O10S 993.6297 NA PeJP NA NA +PJ121984 GPPKKRRR C42H79N19O9 993.6309 NA PeJP NA NA +PJ121985 ATKKKKKY C46H83N13O11 993.6335 NA PeJP NA NA +PJ121986 APPVTLLKR C46H83N13O11 993.6336 NA PeJP NA NA +MJ099219 Surfactin; Surfactin B1, 4-L-Alanine analogue C50H87N7O13 993.636185 NA MeJP NA NA +MJ099220 Surfactin; Surfactin B2, 4-L-Alanine analogue C50H87N7O13 993.636185 NA MeJP NA NA +PJ121987 PPLLLKKW C51H83N11O9 993.6376 NA PeJP NA NA +PJ121988 PVLLLQRR C45H83N15O10 993.6448 NA PeJP NA NA +PJ121989 APLLLLLLE C49H87N9O12 993.6475 NA PeJP NA NA +PJ121990 APLLLRRR C44H83N17O9 993.656 NA PeJP NA NA +PJ121991 SPPVLLLKK C48H87N11O11 993.6587 NA PeJP NA NA +PJ121992 AAPLLLLKR C47H87N13O10 993.6699 NA PeJP NA NA +PJ121993 PVLLLKRR C46H87N15O9 993.6812 NA PeJP NA NA +PJ121994 SPLLLLLLL C50H91N9O11 993.6838 NA PeJP NA NA +PJ121995 SPIILLLLL C50H91N9O11 993.6839 NA PeJP NA NA +PJ121996 GPLLLLLKK C49H91N11O10 993.6951 NA PeJP NA NA +PJ121997 ALLLLLLLL C51H95N9O10 993.7202 NA PeJP NA NA +MJ099221 Bisfucopentaphlorethol A C48H34O24 994.144002 NA MeJP NA NA +PJ121998 CCCCCCNDE C31H50N10O15S6 994.1782 NA PeJP NA NA +PJ121999 GCCCCCCDW C35H50N10O12S6 994.1934 NA PeJP NA NA +PJ122000 GSSCCCCCDD C31H50N10O17S5 994.1959 NA PeJP NA NA +PJ122001 GPTCCCCCCC C32H54N10O12S7 994.1968 NA PeJP NA NA +PJ122002 SCCCCCNEM C32H54N10O14S6 994.2146 NA PeJP NA NA +PJ122003 SCCCCCCDR C31H54N12O13S6 994.2258 NA PeJP NA NA +PJ122004 GCCCCNDDY C35H50N10O16S4 994.2289 NA PeJP NA NA +PJ122005 GGGCCCCDDY C35H50N10O16S4 994.229 NA PeJP NA NA +PJ122006 GSCCCCCMW C36H54N10O11S6 994.2298 NA PeJP NA NA +PJ122007 GSSSCCCCDM C32H54N10O16S5 994.2323 NA PeJP NA NA +PJ122008 GCCCCNMMM C33H58N10O11S7 994.2332 NA PeJP NA NA +PJ122009 ACCCCCCMR C32H58N12O10S7 994.2444 NA PeJP NA NA +PJ122010 SSTCCCCCW C36H54N10O13S5 994.2476 NA PeJP NA NA +C11257 Calcein AM C46H46N2O23 994.2491 NA KEGG NA NA +PJ122011 SSSSSCCCCE C32H54N10O18S4 994.2501 NA PeJP NA NA +PJ122012 SSCCCCQMM C33H58N10O13S6 994.2509 NA PeJP NA NA +PJ122013 GGSTCCCCMM C33H58N10O13S6 994.251 NA PeJP NA NA +PJ122014 CCDDDMMY C37H54N8O16S4 994.2541 NA PeJP NA NA +PJ122015 GCCCNDDEH C34H50N12O17S3 994.2579 NA PeJP NA NA +PJ122016 GGGCCCDDEH C34H50N12O17S3 994.258 NA PeJP NA NA +PJ122017 CCDMMMMM C35H62N8O11S7 994.2583 NA PeJP NA NA +FL5FACGL0069 Quercetin 3-(6''''-sinapylsophorotrioside) C44H50O26 994.25903 167638-67-7 knapsack NA NA +MJ099222 3,3',4',5,7-Pentahydroxyflavone; 3-O-[4-Hydroxy-3,5-dimethoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] C44H50O26 994.259031 NA MeJP NA NA +PJ122018 SSCCCCCMR C32H58N12O12S6 994.2622 NA PeJP NA NA +PJ122019 CCCCCQFW C40H54N10O10S5 994.2628 NA PeJP NA NA +PJ122020 GNDDDDDDD C34H46N10O25 994.2636 NA PeJP NA NA +PJ122021 GSCCCNDMY C36H54N10O15S4 994.2653 NA PeJP NA NA +PJ122022 CCDDDDFY C40H50N8O18S2 994.2685 NA PeJP NA NA +PJ122023 GSSSSCCCMM C33H58N10O15S5 994.2687 NA PeJP NA NA +PJ122024 ACCCCCKMM C34H62N10O10S7 994.2696 NA PeJP NA NA +PJ122025 CCDDMMMF C38H58N8O13S5 994.2727 NA PeJP NA NA +PJ122026 CCCNDDHW C38H50N12O14S3 994.2732 NA PeJP NA NA +PJ122027 SSCCNDDDH C34H50N12O19S2 994.2757 NA PeJP NA NA +PJ122028 SPCCCCNEH C35H54N12O14S4 994.2766 NA PeJP NA NA +PJ122029 CCCMMMHH C36H58N12O9S6 994.2774 NA PeJP NA NA +PJ122030 SCCCCQYW C40H54N10O12S4 994.2806 NA PeJP NA NA +PJ122031 SPCNDDDDD C35H50N10O22S 994.2822 NA PeJP NA NA +PJ122032 SSSCCCNEY C36H54N10O17S3 994.2831 NA PeJP NA NA +PJ122033 CCCNQMMY C37H58N10O12S5 994.284 NA PeJP NA NA +PJ122034 SCDDDDYY C40H50N8O20S 994.2862 NA PeJP NA NA +PJ122035 SSSSSTCCCM C33H58N10O17S4 994.2865 NA PeJP NA NA +PJ122036 PCCCDEYY C41H54N8O15S3 994.2871 NA PeJP NA NA +PJ122037 SSCCCCKMM C34H62N10O12S6 994.2873 NA PeJP NA NA +PJ122038 GCCCNNNMH C34H54N14O13S4 994.2878 NA PeJP NA NA +PJ122039 DDDDEEEE C36H50N8O25 994.2888 NA PeJP NA NA +MJ099223 Antibiotic BU 4726G; Antibiotic BU 4726G-A C52H50O20 994.289544 NA MeJP NA NA +PJ122040 SCDDMMMY C38H58N8O15S4 994.2905 NA PeJP NA NA +PJ122041 GSPCCCCHW C39H54N12O11S4 994.2918 NA PeJP NA NA +PJ122042 GCNNNDDDE C34H50N12O21S 994.2935 NA PeJP NA NA +PJ122043 GSCCNDEMH C35H54N12O16S3 994.2943 NA PeJP NA NA +PJ122044 SCMMMMMM C36H66N8O10S7 994.2947 NA PeJP NA NA +PJ122045 CCCCNMRY C36H58N12O11S5 994.2952 NA PeJP NA NA +PJ122046 CDDDDEHF C39H50N10O19S 994.2975 NA PeJP NA NA +PJ122047 GSSSCCCYW C40H54N10O14S3 994.2983 NA PeJP NA NA +PJ122048 GPPCCCDDW C40H54N10O14S3 994.2984 NA PeJP NA NA +PJ122049 CCCCCKFW C41H58N10O9S5 994.2992 NA PeJP NA NA +PJ122050 GSNDDDDEE C35H50N10O24 994.3 NA PeJP NA NA +PJ122051 GSSSSSCCDY C36H54N10O19S2 994.3008 NA PeJP NA NA +PJ122052 GPCNDDDEM C36H54N10O19S2 994.3009 NA PeJP NA NA +PJ122053 GSSCCNMMY C37H58N10O14S4 994.3017 NA PeJP NA NA +PJ122054 CCDDEHHH C37H50N14O15S2 994.3022 NA PeJP NA NA +PJ122055 GCDDEMYY C41H54N8O17S2 994.3049 NA PeJP NA NA +PJ122056 GSCCCDDHR C34H54N14O15S3 994.3056 NA PeJP NA NA +PJ122057 PCCCEMFY C42H58N8O12S4 994.3057 NA PeJP NA NA +PJ122058 APCCCCCHR C35H58N14O10S5 994.3064 NA PeJP NA NA +PJ122059 CNNNDDDW C38H50N12O18S 994.3087 NA PeJP NA NA +PJ122060 GCEMMMMY C39H62N8O12S5 994.3091 NA PeJP NA NA +PJ122061 SCCNDMHW C39H54N12O13S3 994.3096 NA PeJP NA NA +PJ122062 SSNNNDDDD C34H50N12O23 994.3112 NA PeJP NA NA +PJ122063 GPCCDDDDR C35H54N12O18S2 994.3121 NA PeJP NA NA +PJ122064 ASSCCCCRY C36H58N12O13S4 994.3129 NA PeJP NA NA +PJ122065 GSTCCCCRY C36H58N12O13S4 994.313 NA PeJP NA NA +PJ122066 GCCCNFYW C44H54N10O11S3 994.3136 NA PeJP NA NA +PJ122067 SNDDDDEW C39H50N10O21 994.3152 NA PeJP NA NA +PJ122068 GGSDDDDEW C39H50N10O21 994.3153 NA PeJP NA NA +PJ122069 PCNDDDMW C40H54N10O16S2 994.3161 NA PeJP NA NA +PJ122070 SCCCCKYW C41H58N10O11S4 994.317 NA PeJP NA NA +PJ122071 NNDDEEEM C36H54N10O21S 994.3186 NA PeJP NA NA +PJ122072 SSSSCCQMY C37H58N10O16S3 994.3195 NA PeJP NA NA +PJ122073 CDDMYYW C45H54N8O14S2 994.3201 NA PeJP NA NA +PJ122074 CCCNKMMY C38H62N10O11S5 994.3203 NA PeJP NA NA +PJ122075 GGCCCKMMY C38H62N10O11S5 994.3204 NA PeJP NA NA +PJ122076 SSDDDMYY C41H54N8O19S 994.3226 NA PeJP NA NA +PJ122077 GSSSSCCNNH C34H54N14O17S2 994.3233 NA PeJP NA NA +PJ122078 GGGGGGGGGCNDM C34H54N14O17S2 994.3234 NA PeJP NA NA +PJ122079 SPCCEMYY C42H58N8O14S3 994.3235 NA PeJP NA NA +PJ122080 CCCNEMHR C35H58N14O12S4 994.3242 NA PeJP NA NA +PJ122081 CMMMMYW C43H62N8O9S5 994.3244 NA PeJP NA NA +PJ122082 GTCCCHWW C43H54N12O10S3 994.3248 NA PeJP NA NA +PJ122083 SDEEEEEE C37H54N8O24 994.3251 NA PeJP NA NA +PJ122084 PDDEEEMM C38H58N8O19S2 994.326 NA PeJP NA NA +PJ122085 SSDMMMMY C39H62N8O14S4 994.3269 NA PeJP NA NA +PJ122086 GSSSCCEHW C39H54N12O15S2 994.3273 NA PeJP NA NA +PJ122087 GGGSPCCNDW C39H54N12O15S2 994.3274 NA PeJP NA NA +PJ122088 ACMMMMMF C40H66N8O9S6 994.3277 NA PeJP NA NA +PJ122089 GCCQMMHW C40H58N12O10S4 994.3282 NA PeJP NA NA +PJ122090 GSSSSSCDEH C35H54N12O20S 994.3298 NA PeJP NA NA +PJ122091 NDDDDDMR C35H54N12O20S 994.3299 NA PeJP NA NA +PJ122092 GSDDDDWW C43H50N10O18 994.3305 NA PeJP NA NA +PJ122093 SSSSCCCRY C36H58N12O15S3 994.3307 NA PeJP NA NA +PJ122094 GPCCDEWW C44H54N10O13S2 994.3314 NA PeJP NA NA +PJ122095 APCCCCKMH C37H62N12O10S5 994.3316 NA PeJP NA NA +PJ122096 CCNNMHHH C37H54N16O11S3 994.3321 NA PeJP NA NA +PJ122097 GNDDEEMW C40H54N10O18S 994.3339 NA PeJP NA NA +PJ122098 GSPPCCDMW C41H58N10O13S3 994.3347 NA PeJP NA NA +PJ122099 CCCCDHRR C34H58N16O11S4 994.3354 NA PeJP NA NA +PJ122100 GSSNDEEEE C36H54N10O23 994.3364 NA PeJP NA NA +PJ122101 GSSSSSSCMY C37H58N10O18S2 994.3372 NA PeJP NA NA +PJ122102 GGGSPDDEMM C37H58N10O18S2 994.3373 NA PeJP NA NA +PJ122103 NNDDDEHH C37H50N14O19 994.3377 NA PeJP NA NA +PJ122104 GPCDDYYY C45H54N8O16S 994.3379 NA PeJP NA NA +PJ122105 GSTCCCKMY C38H62N10O13S4 994.3381 NA PeJP NA NA +PJ122106 CCNNNNQW C38H54N14O14S2 994.3386 NA PeJP NA NA +PJ122107 CDMMFYW C46H58N8O11S3 994.3387 NA PeJP NA NA +PJ122108 PPCCCFYY C46H58N8O11S3 994.3388 NA PeJP NA NA +PJ122109 GCCCMHRW C39H58N14O9S4 994.3395 NA PeJP NA NA +PJ122110 PDDDEEEF C41H54N8O21 994.3404 NA PeJP NA NA +PJ122111 GSCNNDDDR C34H54N14O19S 994.3411 NA PeJP NA NA +PJ122112 GSDEMMYY C42H58N8O16S2 994.3413 NA PeJP NA NA +PJ122113 GPCCCNNER C35H58N14O14S3 994.3419 NA PeJP NA NA +PJ122114 GSSCCDMHR C35H58N14O14S3 994.342 NA PeJP NA NA +PJ122115 GPCMMMYY C43H62N8O11S4 994.3421 NA PeJP NA NA +PJ122116 SSSCCHWW C43H54N12O12S2 994.3426 NA PeJP NA NA +PJ122117 AEEEEEEM C38H58N8O21S 994.3438 NA PeJP NA NA +PJ122118 GCDDDERW C39H54N12O17S 994.3451 NA PeJP NA NA +PJ122119 GTMMMMMY C40H66N8O11S5 994.3455 NA PeJP NA NA +PJ122120 SSCNMMHW C40H58N12O12S3 994.346 NA PeJP NA NA +PJ122121 PCCDWWW C48H54N10O10S2 994.3466 NA PeJP NA NA +PJ122122 GSSDDDDER C35H54N12O22 994.3476 NA PeJP NA NA +PJ122123 GSPCDDDMR C36H58N12O17S2 994.3485 NA PeJP NA NA +PJ122124 NDDEMWW C44H54N10O15S 994.3491 NA PeJP NA NA +PJ122125 SNNMMMMH C37H62N12O12S4 994.3493 NA PeJP NA NA +PJ122126 GPPCCCEMR C37H62N12O12S4 994.3494 NA PeJP NA NA +PJ122127 GSSCCQHHH C37H54N16O13S2 994.3498 NA PeJP NA NA +PJ122128 PPTCCCWW C45H58N10O10S3 994.35 NA PeJP NA NA +PJ122129 SSNDEEEW C40H54N10O20 994.3516 NA PeJP NA NA +PJ122130 SPNDDMMW C41H58N10O15S2 994.3525 NA PeJP NA NA +PJ122131 GNDDDHHW C41H50N14O16 994.353 NA PeJP NA NA +PJ122132 CDDFFYW C49H54N8O13S 994.3531 NA PeJP NA NA +PJ122133 EMMMMHW C42H62N10O10S4 994.3534 NA PeJP NA NA +PJ122134 PCCDHHHF C42H54N14O11S2 994.3538 NA PeJP NA NA +PJ122135 SSSSSSSTCY C37H58N10O20S 994.355 NA PeJP NA NA +PJ122136 NDEEYYY C45H54N8O18 994.3556 NA PeJP NA NA +PJ122137 SSSSCCKMY C38H62N10O15S3 994.3558 NA PeJP NA NA +PJ122138 STEEMMMH C38H62N10O15S3 994.3559 NA PeJP NA NA +PJ122139 GSSCNNNNW C38H54N14O16S 994.3563 NA PeJP NA NA +PJ122140 GGGGGGGSSCNW C38H54N14O16S 994.3564 NA PeJP NA NA +PJ122141 SDMMYYW C46H58N8O13S2 994.3565 NA PeJP NA NA +PJ122142 SPMMMMMH C39H66N10O10S5 994.3567 NA PeJP NA NA +PJ122143 STCCCHRW C39H58N14O11S3 994.3572 NA PeJP NA NA +PJ122144 CMMMFFW C47H62N8O8S4 994.3574 NA PeJP NA NA +PJ122145 CCHHFYW C47H54N12O9S2 994.3578 NA PeJP NA NA +PJ122146 CCNHFWW C47H54N12O9S2 994.3579 NA PeJP NA NA +PJ122147 GSSSSNNNND C34H54N14O21 994.3588 NA PeJP NA NA +PJ122148 GGGGGGGSSSSND C34H54N14O21 994.3589 NA PeJP NA NA +PJ122149 SSSEEMYY C42H58N8O18S 994.359 NA PeJP NA NA +PJ122150 SSSSCCEHR C35H58N14O16S2 994.3597 NA PeJP NA NA +PJ122151 QEMMMYY C43H62N8O13S3 994.3599 NA PeJP NA NA +PJ122152 CDDDRWW C43H54N12O14S 994.3604 NA PeJP NA NA +PJ122153 SCCQMMHR C36H62N14O11S4 994.3606 NA PeJP NA NA +PJ122154 ACCMHHFF C44H58N12O9S3 994.3612 NA PeJP NA NA +PJ122155 TTEEEEEE C38H58N8O23 994.3615 NA PeJP NA NA +PJ122156 PTEEEEMM C39H62N8O18S2 994.3624 NA PeJP NA NA +PJ122157 GSSSNDEHY C39H54N12O19 994.3628 NA PeJP NA NA +PJ122158 SSDDDDRW C39H54N12O19 994.3629 NA PeJP NA NA +PJ122159 STTMMMMY C40H66N8O13S4 994.3632 NA PeJP NA NA +PJ122160 PPEEMMMM C40H66N8O13S4 994.3633 NA PeJP NA NA +PJ122161 SPCCDERW C40H58N12O14S2 994.3637 NA PeJP NA NA +PJ122162 GGGGGGGEMMW C40H58N12O14S2 994.3638 NA PeJP NA NA +PJ122163 GDDMWWW C48H54N10O12S 994.3644 NA PeJP NA NA +PJ122164 PPCCCMRW C41H62N12O9S4 994.3646 NA PeJP NA NA +PJ122165 SNDDEEMR C36H58N12O19S 994.3662 NA PeJP NA NA +PJ122166 GGGGGGGSTEEM C36H58N12O19S 994.3663 NA PeJP NA NA +PJ122167 GSSDEEWW C44H54N10O17 994.3669 NA PeJP NA NA +PJ122168 PCNDEMMR C37H62N12O14S3 994.3671 NA PeJP NA NA +PJ122169 SSSSCNHHH C37H54N16O15S 994.3676 NA PeJP NA NA +PJ122170 GSPCEMWW C45H58N10O12S2 994.3677 NA PeJP NA NA +PJ122171 ASPCDMWW C45H58N10O12S2 994.3678 NA PeJP NA NA +PJ122172 CCCQKHHH C38H58N16O10S3 994.3684 NA PeJP NA NA +PJ122173 GACCCKHHH C38H58N16O10S3 994.3685 NA PeJP NA NA +PJ122174 SSSPVCDDW C41H58N10O17S 994.3702 NA PeJP NA NA +PJ122175 GSQEEEMW C41H58N10O17S 994.3703 NA PeJP NA NA +PJ122176 GDEYYYW C49H54N8O15 994.3709 NA PeJP NA NA +PJ122177 GGGGCCDDRR C34H58N16O15S2 994.371 NA PeJP NA NA +PJ122178 GPNEMMMW C42H62N10O12S3 994.3711 NA PeJP NA NA +PJ122179 SPCNDHHW C42H54N14O13S 994.3716 NA PeJP NA NA +PJ122180 CDMFFFW C50H58N8O10S2 994.3718 NA PeJP NA NA +PJ122181 GSSTQEEEE C37H58N10O22 994.3727 NA PeJP NA NA +PJ122182 GGGSTTEEEE C37H58N10O22 994.3728 NA PeJP NA NA +PJ122183 AQQEEEMM C38H62N10O17S2 994.3736 NA PeJP NA NA +PJ122184 NNNNNNEY C38H54N14O18 994.3741 NA PeJP NA NA +PJ122185 GSPDMYYY C46H58N8O15S 994.3743 NA PeJP NA NA +PJ122186 SVEMMMMH C39H66N10O12S4 994.3745 NA PeJP NA NA +PJ122187 GCNNDMRW C39H58N14O13S2 994.375 NA PeJP NA NA +PJ122188 AMMMYYW C47H62N8O10S3 994.3751 NA PeJP NA NA +PJ122189 SCNNWWW C47H54N12O11S 994.3756 NA PeJP NA NA +PJ122190 GCMHHHHH C40H54N18O9S2 994.3763 NA PeJP NA NA +PJ122191 APEEEEEY C42H58N8O20 994.3768 NA PeJP NA NA +PJ122192 SSSNNNNQM C35H58N14O18S 994.3774 NA PeJP NA NA +PJ122193 SCDDDERR C35H58N14O18S 994.3775 NA PeJP NA NA +PJ122194 GTTEMMYY C43H62N8O15S2 994.3776 NA PeJP NA NA +PJ122195 PPDEEMMF C43H62N8O15S2 994.3777 NA PeJP NA NA +PJ122196 SSSNNDWW C43H54N12O16 994.3781 NA PeJP NA NA +PJ122197 PCCDDMRR C36H62N14O13S3 994.3783 NA PeJP NA NA +PJ122198 GGGGGPTCCMR C36H62N14O13S3 994.3784 NA PeJP NA NA +PJ122199 AAMMMMFY C44H66N8O10S4 994.3785 NA PeJP NA NA +PJ122200 NNNMMWW C44H58N12O11S2 994.379 NA PeJP NA NA +PJ122201 CEWWWW C52H54N10O9S 994.3796 NA PeJP NA NA +PJ122202 SLEEEEEM C39H62N8O20S 994.3802 NA PeJP NA NA +PJ122203 PVEEEMMM C40H66N8O15S3 994.381 NA PeJP NA NA +PJ122204 GSDDEMRW C40H58N12O16S 994.3815 NA PeJP NA NA +MJ099224 Ferrirubin; *-Deoxy C41H64FeN9O16 994.382044 NA MeJP NA NA +PJ122205 SSDEWWW C48H54N10O14 994.3821 NA PeJP NA NA +PJ122206 GNQMMMHF C41H62N12O11S3 994.3823 NA PeJP NA NA +PJ122207 GPCDMMRW C41H62N12O11S3 994.3824 NA PeJP NA NA +PJ122208 GCNNQHHW C41H54N16O12S 994.3828 NA PeJP NA NA +PJ122209 GGGGGGACHHW C41H54N16O12S 994.3829 NA PeJP NA NA +PJ122210 SPCMWWW C49H58N10O9S2 994.383 NA PeJP NA NA +PJ122211 GSSSDEEER C36H58N12O21 994.384 NA PeJP NA NA +PJ122212 SSSSTQMMH C37H62N12O16S2 994.3848 NA PeJP NA NA +PJ122213 GNEEEMMR C37H62N12O16S2 994.3849 NA PeJP NA NA +PJ122214 SNDDDHHR C37H54N16O17 994.3853 NA PeJP NA NA +PJ122215 GGGGGGGSSEHH C37H54N16O17 994.3854 NA PeJP NA NA +PJ122216 SQEEMWW C45H58N10O14S 994.3855 NA PeJP NA NA +PJ122217 GPPTCCMMR C38H66N12O11S4 994.3857 NA PeJP NA NA +PJ122218 DYYYWW C53H54N8O12 994.3861 NA PeJP NA NA +PJ122219 PCCNEHHR C38H58N16O12S2 994.3862 NA PeJP NA NA +PJ122220 PNMMMWW C46H62N10O9S3 994.3864 NA PeJP NA NA +PJ122221 CEHHHFW C46H54N14O10S 994.3869 NA PeJP NA NA +PJ122222 SSTQEEEW C41H58N10O19 994.388 NA PeJP NA NA +PJ122223 SSSCNNNNR C34H58N16O17S 994.3887 NA PeJP NA NA +PJ122224 AAQEEMMW C42H62N10O14S2 994.3889 NA PeJP NA NA +PJ122225 GNNNNNYW C42H54N14O15 994.3893 NA PeJP NA NA +PJ122226 GGGGGNNNYW C42H54N14O15 994.3894 NA PeJP NA NA +PJ122227 PTCYYYW C50H58N8O12S 994.3895 NA PeJP NA NA +PJ122228 GSPCCCNRR C35H62N16O12S3 994.3896 NA PeJP NA NA +PJ122229 PPCCKMMW C43H66N10O9S4 994.3898 NA PeJP NA NA +PJ122230 CCNQRWW C43H58N14O10S2 994.3902 NA PeJP NA NA +PJ122231 SNKEEEEM C38H62N10O19S 994.3914 NA PeJP NA NA +PJ122232 TQEEYYY C46H58N8O17 994.392 NA PeJP NA NA +PJ122233 PTQQEMMM C39H66N10O14S3 994.3922 NA PeJP NA NA +PJ122234 PNDKEMMM C39H66N10O14S3 994.3923 NA PeJP NA NA +PJ122235 SSCNNERW C39H58N14O15S 994.3927 NA PeJP NA NA +PJ122236 GGGGGGGGGGQMF C39H58N14O15S 994.3928 NA PeJP NA NA +PJ122237 TTMMYYW C47H62N8O12S2 994.3929 NA PeJP NA NA +PJ122238 ALMMMMMH C40H70N10O9S5 994.3931 NA PeJP NA NA +PJ122239 NNNDFWW C47H54N12O13 994.3934 NA PeJP NA NA +PJ122240 GCNMMHFR C40H62N14O10S3 994.3936 NA PeJP NA NA +PJ122241 STCHHHHH C40H54N18O11S 994.3941 NA PeJP NA NA +PJ122242 SSSSNNDER C35H58N14O20 994.3952 NA PeJP NA NA +PJ122243 STTTEMYY C43H62N8O17S 994.3954 NA PeJP NA NA +PJ122244 GDDDMMRR C36H62N14O15S2 994.3961 NA PeJP NA NA +PJ122245 KEMMMYY C44H66N8O12S3 994.3963 NA PeJP NA NA +PJ122246 SDDMRWW C44H58N12O13S 994.3967 NA PeJP NA NA +PJ122247 GGGGGSTMWW C44H58N12O13S 994.3968 NA PeJP NA NA +PJ122248 SCCKMMHR C37H66N14O10S4 994.397 NA PeJP NA NA +PJ122249 VVEEEEMM C40H66N8O17S2 994.3988 NA PeJP NA NA +PJ122250 SSSDEERW C40H58N12O18 994.3992 NA PeJP NA NA +PJ122251 GGGGGSSTTEW C40H58N12O18 994.3993 NA PeJP NA NA +PJ122252 NEEMMRW C41H62N12O13S2 994.4001 NA PeJP NA NA +PJ122253 SSNNNHHW C41H54N16O14 994.4006 NA PeJP NA NA +PJ122254 GTEMWWW C49H58N10O11S 994.4008 NA PeJP NA NA +PJ122255 GPCCHHRW C42H58N16O9S2 994.4015 NA PeJP NA NA +PJ122256 SSQEEEMR C37H62N12O18S 994.4026 NA PeJP NA NA +PJ122257 GSSQQYYY C45H58N10O16 994.4032 NA PeJP NA NA +PJ122258 GSTTEEWW C45H58N10O16 994.4033 NA PeJP NA NA +PJ122259 SPNEMMMR C38H66N12O13S3 994.4035 NA PeJP NA NA +PJ122260 CNNNNNFR C38H58N16O14S 994.4039 NA PeJP NA NA +PJ122261 GGCNNNNFR C38H58N16O14S 994.404 NA PeJP NA NA +PJ122262 VNEMMWW C46H62N10O11S2 994.4041 NA PeJP NA NA +PJ122263 GGAPPPCCFF C46H62N10O11S2 994.4042 NA PeJP NA NA +PJ122264 SNEHHWW C46H54N14O12 994.4046 NA PeJP NA NA +PJ122265 MFYYWW C54H58N8O9S 994.4048 NA PeJP NA NA +PJ122266 GSKEEEMW C42H62N10O16S 994.4066 NA PeJP NA NA +PJ122267 GGGGPVEEMY C42H62N10O16S 994.4067 NA PeJP NA NA +PJ122268 ATEYYYW C50H58N8O14 994.4073 NA PeJP NA NA +PJ122269 GGGGGGGSCCKR C35H62N16O14S2 994.4074 NA PeJP NA NA +PJ122270 GPDKMMMW C43H66N10O11S3 994.4075 NA PeJP NA NA +PJ122271 GSSCNRWW C43H58N14O12S 994.408 NA PeJP NA NA +PJ122272 AMMFFYW C51H62N8O9S2 994.4082 NA PeJP NA NA +PJ122273 GSSTKEEEE C38H62N10O21 994.4091 NA PeJP NA NA +PJ122274 AQKEEEMM C39H66N10O16S2 994.41 NA PeJP NA NA +PJ122275 GSSSSNDRW C39H58N14O17 994.4105 NA PeJP NA NA +PJ122276 VQEMYYY C47H62N8O14S 994.4106 NA PeJP NA NA +PJ122277 GGLEMYYY C47H62N8O14S 994.4107 NA PeJP NA NA +PJ122278 TTLMMMMH C40H70N10O11S4 994.4109 NA PeJP NA NA +PJ122279 GSNNMMRW C40H62N14O12S2 994.4113 NA PeJP NA NA +PJ122280 CDEMRRW C40H62N14O12S2 994.4114 NA PeJP NA NA +PJ122281 AAMMMFFF C48H66N8O9S3 994.4115 NA PeJP NA NA +PJ122282 GNQEHHHH C40H54N18O13 994.4118 NA PeJP NA NA +PJ122283 NNMHFFW C48H58N12O10S 994.412 NA PeJP NA NA +PJ122284 SPLEEEEY C43H62N8O19 994.4132 NA PeJP NA NA +PJ122285 GSSSNQEMR C36H62N14O17S 994.4138 NA PeJP NA NA +PJ122286 SSDDEMRR C36H62N14O17S 994.4139 NA PeJP NA NA +PJ122287 SSTLMMYY C44H66N8O14S2 994.414 NA PeJP NA NA +PJ122288 SSSSQQWW C44H58N12O15 994.4145 NA PeJP NA NA +PJ122289 SPCDMMRR C37H66N14O12S3 994.4147 NA PeJP NA NA +PJ122290 GCDDHHRR C37H58N18O13S 994.4152 NA PeJP NA NA +PJ122291 GEMMRWW C45H62N12O10S2 994.4154 NA PeJP NA NA +PJ122292 TMWWWW C53H58N10O8S 994.416 NA PeJP NA NA +PJ122293 GSTEEMRW C41H62N12O15S 994.4179 NA PeJP NA NA +PJ122294 STTEWWW C49H58N10O13 994.4185 NA PeJP NA NA +PJ122295 GSPMMMRW C42H66N12O10S3 994.4187 NA PeJP NA NA +PJ122296 GAPCCCKKW C42H66N12O10S3 994.4188 NA PeJP NA NA +PJ122297 NDMHHRW C42H58N16O11S 994.4192 NA PeJP NA NA +PJ122298 GVMMWWW C50H62N10O8S2 994.4194 NA PeJP NA NA +PJ122299 GSHHWWW C50H54N14O9 994.4199 NA PeJP NA NA +PJ122300 GSSTTEEER C37H62N12O20 994.4204 NA PeJP NA NA +PJ122301 ATQEEMMR C38H66N12O15S2 994.4212 NA PeJP NA NA +PJ122302 GDKEEMMR C38H66N12O15S2 994.4213 NA PeJP NA NA +PJ122303 SNNNNNRY C38H58N16O16 994.4217 NA PeJP NA NA +PJ122304 GGGGGGGGGGAPTH C38H58N16O16 994.4218 NA PeJP NA NA +PJ122305 SKEEMWW C46H62N10O13S 994.4219 NA PeJP NA NA +PJ122306 APQMMMMR C39H70N12O10S4 994.4221 NA PeJP NA NA +PJ122307 GPFYYYW C54H58N8O11 994.4225 NA PeJP NA NA +PJ122308 GSCCQRRW C39H62N16O11S2 994.4226 NA PeJP NA NA +PJ122309 LMMMHFW C47H66N10O8S3 994.4228 NA PeJP NA NA +PJ122310 AQMHHWW C47H58N14O9S 994.4232 NA PeJP NA NA +PJ122311 SSTKEEEW C42H62N10O18 994.4244 NA PeJP NA NA +PJ122312 GSSSCNERR C35H62N16O16S 994.4251 NA PeJP NA NA +PJ122313 AAKEEMMW C43H66N10O13S2 994.4253 NA PeJP NA NA +PJ122314 NNNERYW C43H58N14O14 994.4257 NA PeJP NA NA +PJ122315 GGGGGGERYW C43H58N14O14 994.4258 NA PeJP NA NA +PJ122316 GLMYYYW C51H62N8O11S 994.4259 NA PeJP NA NA +PJ122317 GCNQMMRR C36H66N16O11S3 994.426 NA PeJP NA NA +PJ122318 CCNKRWW C44H62N14O9S2 994.4266 NA PeJP NA NA +PJ122319 NQHHHHW C44H54N18O10 994.4271 NA PeJP NA NA +PJ122320 SDKKEEEM C39H66N10O18S 994.4278 NA PeJP NA NA +MJ099225 Microsclerodermin A C47H62N8O16 994.428377 NA MeJP NA NA +PJ122321 TKEEYYY C47H62N8O16 994.4284 NA PeJP NA NA +PJ122322 PTQKEMMM C40H70N10O13S3 994.4286 NA PeJP NA NA +PJ122323 GGGGLLEMMM C40H70N10O13S3 994.4287 NA PeJP NA NA +PJ122324 SSSNQMRW C40H62N14O14S 994.4291 NA PeJP NA NA +PJ122325 PKMMYYY C48H66N8O11S2 994.4293 NA PeJP NA NA +PJ122326 GQQQYWW C48H58N12O12 994.4297 NA PeJP NA NA +PJ122327 GGAQQYWW C48H58N12O12 994.4298 NA PeJP NA NA +PJ122328 ACCKMHFR C41H66N14O9S3 994.43 NA PeJP NA NA +PJ122329 MMRWWW C49H62N12O7S2 994.4306 NA PeJP NA NA +PJ122330 SSSSSQQER C36H62N14O19 994.4316 NA PeJP NA NA +PJ122331 PVVEEEMY C44H66N8O16S 994.4318 NA PeJP NA NA +PJ122332 GSEEMMRR C37H66N14O14S2 994.4325 NA PeJP NA NA +PJ122333 PPLEMMMF C45H70N8O11S3 994.4327 NA PeJP NA NA +PJ122334 GSSSNNHHR C37H58N18O15 994.4329 NA PeJP NA NA +PJ122335 GGGSSSNHHR C37H58N18O15 994.433 NA PeJP NA NA +PJ122336 STEMRWW C45H62N12O12S 994.4331 NA PeJP NA NA +PJ122337 GGGGGGGLMFW C45H62N12O12S 994.4332 NA PeJP NA NA +PJ122338 APCMMMRR C38H70N14O9S4 994.4333 NA PeJP NA NA +PJ122339 GPTYWWW C53H58N10O10 994.4338 NA PeJP NA NA +PJ122340 ACHHRWW C46H58N16O8S 994.4345 NA PeJP NA NA +PJ122341 TLLEEEMM C41H70N8O16S2 994.4352 NA PeJP NA NA +PJ122342 SSTTEERW C41H62N12O17 994.4356 NA PeJP NA NA +PJ122343 GGGGGGGATLEY C41H62N12O17 994.4357 NA PeJP NA NA +PJ122344 PLLEMMMM C42H74N8O11S4 994.436 NA PeJP NA NA +PJ122345 DKEMMRW C42H66N12O12S2 994.4365 NA PeJP NA NA +PJ122346 GSSEHHRW C42H58N16O13 994.437 NA PeJP NA NA +PJ122347 SSLMWWW C50H62N10O10S 994.4371 NA PeJP NA NA +PJ122348 GGPVMYWW C50H62N10O10S 994.4372 NA PeJP NA NA +PJ122349 FFFYWW C58H58N8O8 994.4378 NA PeJP NA NA +PJ122350 GPHHHHHH C43H54N20O9 994.4383 NA PeJP NA NA +PJ122351 SSKEEEMR C38H66N12O17S 994.439 NA PeJP NA NA +PJ122352 SSSTLEWW C46H62N10O15 994.4396 NA PeJP NA NA +PJ122353 GSPKEEYW C46H62N10O15 994.4397 NA PeJP NA NA +PJ122354 GLQEMMMR C39H70N12O12S3 994.4399 NA PeJP NA NA +PJ122355 SSSCNRRW C39H62N16O13S 994.4403 NA PeJP NA NA +PJ122356 GGGCNEFRR C39H62N16O13S 994.4404 NA PeJP NA NA +PJ122357 VDKMMWW C47H66N10O10S2 994.4405 NA PeJP NA NA +MJ099226 Isohumbertiol, 9,10-Didehydro, O-[?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-[(4-hydroxy-3-methoxycinnamoyl(E))-(?4)-?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C49H70O21 994.440959 NA MeJP NA NA +PJ122358 GNNRYWW C47H58N14O11 994.441 NA PeJP NA NA +PJ122359 AMFFFFW C55H62N8O8S 994.4412 NA PeJP NA NA +PJ122360 SSSSSNDRR C35H62N16O18 994.4428 NA PeJP NA NA +PJ122361 ATTKEEMW C43H66N10O15S 994.443 NA PeJP NA NA +PJ122362 STLYYYW C51H62N8O13 994.4437 NA PeJP NA NA +PJ122363 APTKMMMW C44H70N10O10S3 994.4439 NA PeJP NA NA +PJ122364 CQQQFRW C44H62N14O11S 994.4443 NA PeJP NA NA +PJ122365 PCDRRYW C44H62N14O11S 994.4444 NA PeJP NA NA +PJ122366 DFRWWW C52H58N12O9 994.445 NA PeJP NA NA +PJ122367 SSSSLKEEE C39H66N10O20 994.4455 NA PeJP NA NA +PJ122368 AKKEEEMM C40H70N10O15S2 994.4464 NA PeJP NA NA +PJ122369 ASSSSSQRW C40H62N14O16 994.4468 NA PeJP NA NA +PJ122370 GSSSSTQRW C40H62N14O16 994.4469 NA PeJP NA NA +PJ122371 VKEMYYY C48H66N8O13S 994.447 NA PeJP NA NA +PJ122372 PPVEEMFF C48H66N8O13S 994.4471 NA PeJP NA NA +PJ122373 PVQKMMMM C41H74N10O10S4 994.4473 NA PeJP NA NA +PJ122374 SEMMRRW C41H66N14O11S2 994.4477 NA PeJP NA NA +PJ122375 GGGAPCCKFR C41H66N14O11S2 994.4478 NA PeJP NA NA +PJ122376 GNNNHHFR C41H58N18O12 994.4482 NA PeJP NA NA +PJ122377 GPMRYWW C49H62N12O9S 994.4484 NA PeJP NA NA +PJ122378 ALLEEEEY C44H66N8O18 994.4496 NA PeJP NA NA +PJ122379 SSTEEMRR C37H66N14O16S 994.4502 NA PeJP NA NA +PJ122380 GGGGGGSSTCKK C37H66N14O16S 994.4503 NA PeJP NA NA +PJ122381 PVLEEMMF C45H70N8O13S2 994.4504 NA PeJP NA NA +PJ122382 SSSSQKWW C45H62N12O14 994.4509 NA PeJP NA NA +PJ122383 AAEMMMRR C38H70N14O11S3 994.4511 NA PeJP NA NA +PJ122384 GSDMHHRR C38H62N18O12S 994.4516 NA PeJP NA NA +PJ122385 SVMMRWW C46H66N12O9S2 994.4518 NA PeJP NA NA +PJ122386 SSHHRWW C46H58N16O10 994.4522 NA PeJP NA NA +PJ122387 VLLEEMMM C42H74N8O13S3 994.4538 NA PeJP NA NA +PJ122388 SSSLEMRW C42H66N12O14S 994.4542 NA PeJP NA NA +PJ122389 SSVTEMRW C42H66N12O14S 994.4543 NA PeJP NA NA +PJ122390 SPKEYWW C50H62N10O12 994.4549 NA PeJP NA NA +PJ122391 GGSTCCRRR C35H66N18O12S2 994.455 NA PeJP NA NA +PJ122392 LQMMMRW C43H70N12O9S3 994.4551 NA PeJP NA NA +PJ122393 CNNFRRW C43H62N16O10S 994.4556 NA PeJP NA NA +PJ122394 ASTTTTEER C38H66N12O19 994.4567 NA PeJP NA NA +PJ122395 SSSSTLEER C38H66N12O19 994.4568 NA PeJP NA NA +PJ122396 ATKEEMMR C39H70N12O14S2 994.4576 NA PeJP NA NA +PJ122397 DDDRRRY C39H62N16O15 994.4581 NA PeJP NA NA +PJ122398 GTTTLMWW C47H66N10O12S 994.4583 NA PeJP NA NA +HMDB10038 PIP2(16:0/18:2(9Z,12Z)) C43H81O19P3 994.458496 NA HMDB2010 NA NA +HMDB10054 PIP2(16:1(9Z)/18:1(11Z)) C43H81O19P3 994.458496 NA HMDB2010 NA NA +HMDB10055 PIP2(16:1(9Z)/18:1(9Z)) C43H81O19P3 994.458496 NA HMDB2010 NA NA +HMDB10057 PIP2(16:2(9Z,12Z)/18:0) C43H81O19P3 994.458496 NA HMDB2010 NA NA +HMDB10061 PIP2(18:0/16:2(9Z,12Z)) C43H81O19P3 994.458496 NA HMDB2010 NA NA +HMDB10073 PIP2(18:1(11Z)/16:1(9Z)) C43H81O19P3 994.458496 NA HMDB2010 NA NA +HMDB10086 PIP2(18:1(9Z)/16:1(9Z)) C43H81O19P3 994.458496 NA HMDB2010 NA NA +HMDB10098 PIP2(18:2(9Z,12Z)/16:0) C43H81O19P3 994.458496 NA HMDB2010 NA NA +PJ122399 APKMMMMR C40H74N12O9S4 994.4585 NA PeJP NA NA +PJ122400 GLFFYYW C55H62N8O10 994.4589 NA PeJP NA NA +PJ122401 GSCCKRRW C40H66N16O10S2 994.459 NA PeJP NA NA +PJ122402 GSQHHHHR C40H58N20O11 994.4594 NA PeJP NA NA +PJ122403 GGGTHHHHR C40H58N20O11 994.4595 NA PeJP NA NA +PJ122404 AKMHHWW C48H62N14O8S 994.4596 NA PeJP NA NA +PJ122405 TTTTKEEW C43H66N10O17 994.4608 NA PeJP NA NA +PJ122406 GSSSSQMRR C36H66N16O15S 994.4615 NA PeJP NA NA +PJ122407 PTTTKMMW C44H70N10O12S2 994.4616 NA PeJP NA NA +PJ122408 GTLKEMMW C44H70N10O12S2 994.4617 NA PeJP NA NA +PJ122409 GEERRYW C44H62N14O13 994.4621 NA PeJP NA NA +PJ122410 GGGGGGGPPVHF C44H62N14O13 994.4622 NA PeJP NA NA +PJ122411 PKMFFYY C52H66N8O10S 994.4623 NA PeJP NA NA +PJ122412 PCMFRRW C45H66N14O8S2 994.463 NA PeJP NA NA +PJ122413 NKHHHHW C45H58N18O9 994.4635 NA PeJP NA NA +PJ122414 GSTTLKEEM C40H70N10O17S 994.4641 NA PeJP NA NA +PJ122415 TTKKEEEM C40H70N10O17S 994.4642 NA PeJP NA NA +PJ122416 SSSLLYYY C48H66N8O15 994.4648 NA PeJP NA NA +PJ122417 PTKKEMMM C41H74N10O12S3 994.465 NA PeJP NA NA +PJ122418 SSSNKMRW C41H66N14O13S 994.4655 NA PeJP NA NA +PJ122419 LKMMFYY C49H70N8O10S2 994.4657 NA PeJP NA NA +PJ122420 GVERYWW C49H62N12O11 994.4661 NA PeJP NA NA +PJ122421 GAPLEHWW C49H62N12O11 994.4662 NA PeJP NA NA +PJ122422 CLMMRRW C42H70N14O8S3 994.4664 NA PeJP NA NA +PJ122423 TCHHRRW C42H62N18O9S 994.4668 NA PeJP NA NA +PJ122424 SSSSSQKER C37H66N14O18 994.468 NA PeJP NA NA +PJ122425 PTLLEEMY C45H70N8O15S 994.4682 NA PeJP NA NA +PJ122426 ATTEMMRR C38H70N14O13S2 994.4689 NA PeJP NA NA +PJ122427 PPLLMMMY C46H74N8O10S3 994.469 NA PeJP NA NA +PJ122428 SSSEHHRR C38H62N18O14 994.4693 NA PeJP NA NA +PJ122429 GGGGSPDHRR C38H62N18O14 994.4694 NA PeJP NA NA +PJ122430 GSTCKKWW C46H66N12O11S 994.4695 NA PeJP NA NA +PJ122431 AALYWWW C54H62N10O9 994.4702 NA PeJP NA NA +PJ122432 TTTTTERW C42H66N12O16 994.472 NA PeJP NA NA +PJ122433 GSSSSCRRR C35H66N18O14S 994.4727 NA PeJP NA NA +PJ122434 GTTLMMRW C43H70N12O11S2 994.4729 NA PeJP NA NA +PJ122435 SNNRRYW C43H62N16O12 994.4733 NA PeJP NA NA +PJ122436 GGSNRRYW C43H62N16O12 994.4734 NA PeJP NA NA +PJ122437 PCLKYWW C51H66N10O9S 994.4735 NA PeJP NA NA +PJ122438 ACCCKRRR C36H70N18O9S3 994.4736 NA PeJP NA NA +PJ122439 TTTKEEMR C39H70N12O16S 994.4754 NA PeJP NA NA +MJ099227 Oscillacyclin C47H66N10O14 994.475996 NA MeJP NA NA +PJ122440 STTTTLWW C47H66N10O14 994.476 NA PeJP NA NA +PJ122441 AAPPPVEEW C47H66N10O14 994.4761 NA PeJP NA NA +PJ122442 AQQKKMMM C40H74N12O11S3 994.4762 NA PeJP NA NA +PJ122443 GLKEMMMR C40H74N12O11S3 994.4763 NA PeJP NA NA +PJ122444 NQQMRRY C40H66N16O12S 994.4767 NA PeJP NA NA +PJ122445 GGGGGGPLMHR C40H66N16O12S 994.4768 NA PeJP NA NA +PJ122446 TLKMMWW C48H70N10O9S2 994.4769 NA PeJP NA NA +PJ122447 ERRYWW C48H62N14O10 994.4774 NA PeJP NA NA +PJ122448 SSSSSTQRR C36H66N16O17 994.4792 NA PeJP NA NA +PJ122449 STTLKEMW C44H70N10O14S 994.4794 NA PeJP NA NA +PJ122450 PVKYYYY C52H66N8O12 994.48 NA PeJP NA NA +PJ122451 GGLLFYYY C52H66N8O12 994.4801 NA PeJP NA NA +PJ122452 GVLKMMMW C45H74N10O9S3 994.4803 NA PeJP NA NA +PJ122453 GNNNQHRR C37H62N20O13 994.4806 NA PeJP NA NA +PJ122454 SPMRRYW C45H66N14O10S 994.4807 NA PeJP NA NA +PJ122455 VCEFRRW C45H66N14O10S 994.4808 NA PeJP NA NA +PJ122456 VRYWWW C53H62N12O8 994.4814 NA PeJP NA NA +PJ122457 SSTTTLKEE C40H70N10O19 994.4819 NA PeJP NA NA +PJ122458 SLKKEEMM C41H74N10O14S2 994.4828 NA PeJP NA NA +PJ122459 GSSSSTKRW C41H66N14O15 994.4832 NA PeJP NA NA +PJ122460 DKEERRY C41H66N14O15 994.4833 NA PeJP NA NA +PJ122461 PPVLEMFY C49H70N8O12S 994.4834 NA PeJP NA NA +PJ122462 PVKKMMMM C42H78N10O9S4 994.4837 NA PeJP NA NA +PJ122463 GSCKKMRW C42H70N14O10S2 994.4841 NA PeJP NA NA +PJ122464 NEHHFRR C42H62N18O11 994.4846 NA PeJP NA NA +PJ122465 GLMFRWW C50H66N12O8S 994.4848 NA PeJP NA NA +PJ122466 SLLLEEEY C45H70N8O17 994.4859 NA PeJP NA NA +PJ122467 TTTTEMRR C38H70N14O15S 994.4866 NA PeJP NA NA +PJ122468 PVLLEMMY C46H74N8O12S2 994.4868 NA PeJP NA NA +PJ122469 SSSSKKWW C46H66N12O13 994.4873 NA PeJP NA NA +PJ122470 GTLMMMRR C39H74N14O10S3 994.4875 NA PeJP NA NA +PJ122471 CNQRRRY C39H66N18O11S 994.488 NA PeJP NA NA +PJ122472 PKMMFRW C47H70N12O8S2 994.4881 NA PeJP NA NA +PJ122473 VNHHFRW C47H62N16O9 994.4886 NA PeJP NA NA +PJ122474 STTTLMRW C43H70N12O13S 994.4906 NA PeJP NA NA +PJ122475 AAAALEMRY C43H70N12O13S 994.4907 NA PeJP NA NA +PJ122476 ALKEYWW C51H66N10O11 994.4913 NA PeJP NA NA +PJ122477 LKMMMRW C44H74N12O8S3 994.4915 NA PeJP NA NA +PJ122478 TKMHHRW C44H66N16O9S 994.492 NA PeJP NA NA +PJ122479 SSTTTTLER C39H70N12O18 994.4931 NA PeJP NA NA +PJ122480 STLKEMMR C40H74N12O13S2 994.494 NA PeJP NA NA +PJ122481 SEERRRY C40H66N16O14 994.4945 NA PeJP NA NA +PJ122482 GPTLKMYW C48H70N10O11S 994.4947 NA PeJP NA NA +PJ122483 PKFFFFY C56H66N8O9 994.4953 NA PeJP NA NA +PJ122484 APPMMHRR C41H70N16O9S2 994.4954 NA PeJP NA NA +PJ122485 GSKHHHHR C41H62N20O10 994.4958 NA PeJP NA NA +PJ122486 SSSTTTLLW C44H70N10O16 994.4972 NA PeJP NA NA +PJ122487 GSSTTCKRR C37H70N16O14S 994.4978 NA PeJP NA NA +PJ122488 GSSSSKMRR C37H70N16O14S 994.4979 NA PeJP NA NA +PJ122489 SSLLKMMW C45H74N10O11S2 994.498 NA PeJP NA NA +PJ122490 GGGGLLLMMF C45H74N10O11S2 994.4981 NA PeJP NA NA +PJ122491 SVERRYW C45H66N14O12 994.4985 NA PeJP NA NA +PJ122492 LKMFFFY C53H70N8O9S 994.4987 NA PeJP NA NA +PJ122493 GPCNHRRR C38H66N20O10S 994.4992 NA PeJP NA NA +PJ122494 GHHFRRW C46H62N18O8 994.4999 NA PeJP NA NA +PJ122495 SSSTLLKEM C41H74N10O16S 994.5005 NA PeJP NA NA +PJ122496 PPTLLEYY C49H70N8O14 994.5012 NA PeJP NA NA +PJ122497 VVKKEMMM C42H78N10O11S3 994.5014 NA PeJP NA NA +PJ122498 SSTCKKRW C42H70N14O12S 994.5019 NA PeJP NA NA +PJ122499 PPLLMMFF C50H74N8O9S2 994.5021 NA PeJP NA NA +PJ122500 ATLRYWW C50H66N12O10 994.5025 NA PeJP NA NA +PJ122501 SSSSSKKER C38H70N14O17 994.5044 NA PeJP NA NA +PJ122502 VVLLEEMY C46H74N8O14S 994.5046 NA PeJP NA NA +PJ122503 STTLMMRR C39H74N14O12S2 994.5052 NA PeJP NA NA +PJ122504 GGSTKKMMR C39H74N14O12S2 994.5053 NA PeJP NA NA +PJ122505 PLLLMMMF C47H78N8O9S3 994.5054 NA PeJP NA NA +PJ122506 GSSNRRRY C39H66N18O13 994.5057 NA PeJP NA NA +PJ122507 GGGGGGGAPPRR C39H66N18O13 994.5058 NA PeJP NA NA +PJ122508 VLQMRYW C47H70N12O10S 994.5059 NA PeJP NA NA +PJ122509 VLHFFFW C55H66N10O8 994.5065 NA PeJP NA NA +PJ122510 KMMHHRR C40H70N18O8S2 994.5066 NA PeJP NA NA +PJ122511 GSSTTTKKW C43H70N12O15 994.5084 NA PeJP NA NA +PJ122512 LLLLMMMM C44H82N8O9S4 994.5088 NA PeJP NA NA +PJ122513 GSKKKMMW C44H74N12O10S2 994.5093 NA PeJP NA NA +PJ122514 GSPQKHRW C44H66N16O11 994.5097 NA PeJP NA NA +PJ122515 AAAAVNHRW C44H66N16O11 994.5098 NA PeJP NA NA +PJ122516 VVKMFWW C52H70N10O8S 994.5099 NA PeJP NA NA +PJ122517 SSSTTLLMR C40H74N12O15S 994.5118 NA PeJP NA NA +PJ122518 LKKEEYW C48H70N10O13 994.5124 NA PeJP NA NA +PJ122519 SVLKMMMR C41H78N12O10S3 994.5126 NA PeJP NA NA +PJ122520 GGCLKKKMM C41H78N12O10S3 994.5127 NA PeJP NA NA +PJ122521 VDMRRRY C41H70N16O11S 994.5131 NA PeJP NA NA +PJ122522 PTLHRWW C49H66N14O9 994.5138 NA PeJP NA NA +PJ122523 SSSSSTKRR C37H70N16O16 994.5156 NA PeJP NA NA +PJ122524 SPLKKEMY C45H74N10O13S 994.5158 NA PeJP NA NA +PJ122525 VLKFYYY C53H70N8O11 994.5164 NA PeJP NA NA +PJ122526 SSCKKMRR C38H74N16O11S2 994.5165 NA PeJP NA NA +PJ122527 NQEHRRR C38H66N20O12 994.517 NA PeJP NA NA +PJ122528 ALMRRYW C46H70N14O9S 994.5171 NA PeJP NA NA +PJ122529 TTTTTTLKE C41H74N10O18 994.5183 NA PeJP NA NA +PJ122530 GTTTLLKMM C42H78N10O13S2 994.5192 NA PeJP NA NA +PJ122531 GTTLERRY C42H70N14O14 994.5196 NA PeJP NA NA +PJ122532 GGGGGGSKKKY C42H70N14O14 994.5197 NA PeJP NA NA +PJ122533 PPVLLMYY C50H74N8O11S 994.5198 NA PeJP NA NA +PJ122534 AALMMFRR C43H74N14O9S2 994.5205 NA PeJP NA NA +PJ122535 VNQHRRW C43H66N18O10 994.521 NA PeJP NA NA +PJ122536 GSSTTKKMR C39H74N14O14S 994.523 NA PeJP NA NA +PJ122537 VLLLEMMF C47H78N8O11S2 994.5232 NA PeJP NA NA +PJ122538 NKKKEYW C47H70N12O12 994.5236 NA PeJP NA NA +PJ122539 TLKERYW C47H70N12O12 994.5237 NA PeJP NA NA +PJ122540 ACKKKMMR C40H78N14O9S3 994.5239 NA PeJP NA NA +PJ122541 CNKRRRY C40H70N18O10S 994.5243 NA PeJP NA NA +PJ122542 GGCKRRRY C40H70N18O10S 994.5244 NA PeJP NA NA +PJ122543 PPHFRRW C48H66N16O8 994.525 NA PeJP NA NA +PJ122544 SSTKKKMW C44H74N12O12S 994.527 NA PeJP NA NA +PJ122545 GGGAAPPPLKM C44H74N12O12S 994.5271 NA PeJP NA NA +PJ122546 SLLKYWW C52H70N10O10 994.5277 NA PeJP NA NA +MJ099228 Calyculin A; N-De-Me C49H79N4O15P 994.527954 NA MeJP NA NA +PJ122547 PLMHRRW C45H70N16O8S 994.5284 NA PeJP NA NA +PJ122548 TTTTTTTLR C40H74N12O17 994.5295 NA PeJP NA NA +PJ122549 SDKKKKMM C41H78N12O12S2 994.5304 NA PeJP NA NA +PJ122550 GSTQKRRY C41H70N16O13 994.5309 NA PeJP NA NA +PJ122551 AALLKMYW C49H74N10O10S 994.5311 NA PeJP NA NA +PJ122552 VMMFRRR C42H74N16O8S2 994.5317 NA PeJP NA NA +PJ122553 GQHRRRW C42H66N20O9 994.5322 NA PeJP NA NA +PJ122554 SVLKKEEY C45H74N10O15 994.5335 NA PeJP NA NA +PJ122555 SLLDKKEY C45H74N10O15 994.5336 NA PeJP NA NA +PJ122556 PVVKKMMY C46H78N10O10S2 994.5344 NA PeJP NA NA +MJ099229 Pregnane-3,8,12,14,17,20-hexol, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] C48H82O21 994.534859 NA MeJP NA NA +PJ122557 TTLRRYW C46H70N14O11 994.5349 NA PeJP NA NA +PJ122558 STTTTLLKM C42H78N10O15S 994.5369 NA PeJP NA NA +PJ122559 PVVLLEYY C50H74N8O13 994.5376 NA PeJP NA NA +PJ122560 TLLKKMMM C43H82N10O10S3 994.5378 NA PeJP NA NA +PJ122561 LKEMRRY C43H74N14O11S 994.5383 NA PeJP NA NA +PJ122562 GKKKYWW C51H70N12O9 994.5389 NA PeJP NA NA +PJ122563 SSSTTTKKR C39H74N14O16 994.5408 NA PeJP NA NA +PJ122564 TLLLLEMY C47H78N8O13S 994.5409 NA PeJP NA NA +PJ122565 SSKKKMMR C40H78N14O11S2 994.5416 NA PeJP NA NA +PJ122566 LEEHRRR C40H70N18O12 994.5421 NA PeJP NA NA +PJ122567 VLKMRYW C48H74N12O9S 994.5423 NA PeJP NA NA +PJ122568 PHHHRRR C41H66N22O8 994.5435 NA PeJP NA NA +PJ122569 SSLLKERY C44H74N12O14 994.5448 NA PeJP NA NA +PJ122570 GLLKMMFR C45H78N12O9S2 994.5457 NA PeJP NA NA +PJ122571 VLEHRRW C45H70N16O10 994.5461 NA PeJP NA NA +PJ122572 ASTTTKKKM C41H78N12O14S 994.5481 NA PeJP NA NA +PJ122573 SSSSLKKKM C41H78N12O14S 994.5482 NA PeJP NA NA +MJ099230 Cyanoginosin; Cyanoginosin LR C49H74N10O12 994.548767 NA MeJP NA NA +C05371 Microcystin-LR C49H74N10O12 994.5488 NA KEGG NA NA +PJ122574 ATTLLKYW C49H74N10O12 994.5488 NA PeJP NA NA +PJ122575 AKKKKMMM C42H82N12O9S3 994.549 NA PeJP NA NA +PJ122576 TLMRRRY C42H74N16O10S 994.5495 NA PeJP NA NA +MJ099231 Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Angeloyl, 20-tigloyl, 3-O-[3-O-methyl-6-deoxy-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] C52H82O18 994.550115 NA MeJP NA NA +PJ122577 VVLHRWW C50H70N14O8 994.5502 NA PeJP NA NA +PJ122578 ALLKKEMY C46H78N10O12S 994.5522 NA PeJP NA NA +PJ122579 PPVLLFFY C54H74N8O10 994.5528 NA PeJP NA NA +PJ122580 NKEHRRR C39H70N20O11 994.5533 NA PeJP NA NA +PJ122581 GGKEHRRR C39H70N20O11 994.5534 NA PeJP NA NA +PJ122582 CKKKFRW C47H74N14O8S 994.5535 NA PeJP NA NA +PJ122583 SSTLLRRY C43H74N14O13 994.556 NA PeJP NA NA +PJ122584 GGGGGGAPPLKK C43H74N14O13 994.5561 NA PeJP NA NA +PJ122585 PVLLLMFY C51H78N8O10S 994.5562 NA PeJP NA NA +PJ122586 PPQRRRW C44H70N18O9 994.5574 NA PeJP NA NA +PJ122587 VLLLLMMY C48H82N8O10S2 994.5596 NA PeJP NA NA +PJ122588 DKKKKYW C48H74N12O11 994.56 NA PeJP NA NA +PJ122589 PPVVLERW C48H74N12O11 994.5601 NA PeJP NA NA +PJ122590 APCKKHRR C41H74N18O9S 994.5607 NA PeJP NA NA +PJ122591 ATLLKMRY C45H78N12O11S 994.5634 NA PeJP NA NA +PJ122592 APPLLLWW C53H74N10O9 994.5641 NA PeJP NA NA +PJ122593 SQHRRRR C38H70N22O10 994.5646 NA PeJP NA NA +PJ122594 STTTTTKKK C41H78N12O16 994.5659 NA PeJP NA NA +PJ122595 TTKKKKMM C42H82N12O11S2 994.5668 NA PeJP NA NA +PJ122596 GSTKKRRY C42H74N16O12 994.5673 NA PeJP NA NA +PJ122597 PVVKKMFF C50H78N10O9S 994.5674 NA PeJP NA NA +PJ122598 GKHRRRW C43H70N20O8 994.5686 NA PeJP NA NA +PJ122599 TTLLKKEY C46H78N10O14 994.5699 NA PeJP NA NA +PJ122600 GPPIILKEE C46H78N10O14 994.57 NA PeJP NA NA +PJ122601 VVLKKMMF C47H82N10O9S2 994.5708 NA PeJP NA NA +PJ122602 SKKKRYW C47H74N14O10 994.5713 NA PeJP NA NA +PJ122603 PTLLLLYY C51H78N8O12 994.574 NA PeJP NA NA +PJ122604 AAKKKMRY C44H78N14O10S 994.5746 NA PeJP NA NA +PJ122605 GCLKKKRY C44H78N14O10S 994.5747 NA PeJP NA NA +PJ122606 LLLKHWW C52H74N12O8 994.5753 NA PeJP NA NA +PJ122607 GPPKERRR C41H74N18O11 994.5785 NA PeJP NA NA +PJ122608 KKKKMFW C49H78N12O8S 994.5787 NA PeJP NA NA +PJ122609 TTTLLKRY C45H78N12O13 994.5812 NA PeJP NA NA +PJ122610 GPPVKRRW C46H74N16O9 994.5825 NA PeJP NA NA +PJ122611 PPLLLKEW C50H78N10O11 994.5852 NA PeJP NA NA +PJ122612 GLLLMHRR C43H78N16O9S 994.5859 NA PeJP NA NA +PJ122613 SLLLKKMY C47H82N10O11S 994.5886 NA PeJP NA NA +PJ122614 PVLLLFFF C55H78N8O9 994.5892 NA PeJP NA NA +PJ122615 GPPTRRRR C40H74N20O10 994.5897 NA PeJP NA NA +PJ122616 ATTKKKRY C44H78N14O12 994.5924 NA PeJP NA NA +PJ122617 VLLLLMFF C52H82N8O9S 994.5926 NA PeJP NA NA +PJ122618 PPKRRRW C45H74N18O8 994.5938 NA PeJP NA NA +PJ122619 PPTLLLRW C49H78N12O10 994.5964 NA PeJP NA NA +PJ122620 GLKKKKMY C46H82N12O10S 994.5998 NA PeJP NA NA +PJ122621 SKHRRRR C39H74N22O9 994.601 NA PeJP NA NA +PJ122622 STLLLHRR C43H78N16O11 994.6036 NA PeJP NA NA +PJ122623 GGGGPLLLRR C43H78N16O11 994.6037 NA PeJP NA NA +PJ122624 SPPVLLLKE C47H82N10O13 994.6063 NA PeJP NA NA +PJ122625 APPLKKRW C48H78N14O9 994.6077 NA PeJP NA NA +PJ122626 VVLLLLYY C52H82N8O11 994.6103 NA PeJP NA NA +PJ122627 PPLLLMRR C45H82N14O9S 994.611 NA PeJP NA NA +PJ122628 SPPVKRRR C42H78N18O10 994.6149 NA PeJP NA NA +PJ122629 STLKKKKY C46H82N12O12 994.6176 NA PeJP NA NA +PJ122630 LKKKHRW C47H78N16O8 994.6189 NA PeJP NA NA +PJ122631 PLLLLLQW C51H82N10O10 994.6216 NA PeJP NA NA +MJ099232 Antibiotic A 130B C54H90O16 994.622886 NA MeJP NA NA +PJ122632 APPLLLLKM C48H86N10O10S 994.625 NA PeJP NA NA +PJ122633 AAPLRRRR C41H78N20O9 994.6261 NA PeJP NA NA +PJ122634 PVLLLERR C45H82N14O11 994.6288 NA PeJP NA NA +PJ122635 PVVLLLRW C50H82N12O9 994.6328 NA PeJP NA NA +PJ122636 LLLLKKMH C47H86N12O9S 994.6362 NA PeJP NA NA +PJ122637 PVRRRRR C40H78N22O8 994.6374 NA PeJP NA NA +PJ122638 PPTLKKRR C44H82N16O10 994.64 NA PeJP NA NA +PJ122639 GPLLLLLKE C48H86N10O12 994.6427 NA PeJP NA NA +MJ099233 Galantin II C42H86N14O13 994.649878 NA MeJP NA NA +PJ122640 GPLLKRRR C43H82N18O9 994.6513 NA PeJP NA NA +PJ122641 ASPLLLLLR C47H86N12O11 994.6539 NA PeJP NA NA +PJ122642 GPTLLLLLR C47H86N12O11 994.654 NA PeJP NA NA +PJ122643 PLLLLLKW C52H86N10O9 994.658 NA PeJP NA NA +PJ122644 PLLLQKKR C46H86N14O10 994.6652 NA PeJP NA NA +PJ122645 PVVLKKRR C45H86N16O9 994.6764 NA PeJP NA NA +MJ099234 Circulocin ? C49H90N10O11 994.679053 NA MeJP NA NA +PJ122646 SPVLLLLLK C49H90N10O11 994.6791 NA PeJP NA NA +PJ122647 AALLLLLLR C48H90N12O10 994.6903 NA PeJP NA NA +HMDB12217 Dodecaprenyl diphosphate C60H100O7P2 994.694458 NA HMDB2010 NA NA +PJ122648 VLLLLLRR C47H90N14O9 994.7016 NA PeJP NA NA +PJ122649 GLLLLLLLK C50H94N10O10 994.7155 NA PeJP NA NA +8230 Antioxidative peptide IANNEADAISLDGGQVFEAG 994.9563 MH2+ Inhouse_peptide NA peptide +PJ122650 CCCCCCDDE C31H49N9O16S6 995.1622 NA PeJP NA NA +PJ122651 CCCCCCNNM C31H53N11O12S7 995.1921 NA PeJP NA NA +PJ122652 SCCCCCDEM C32H53N9O15S6 995.1986 NA PeJP NA NA +PJ122653 PCCCCCCMM C33H57N9O10S8 995.1995 NA PeJP NA NA +PJ122654 GSSCCCCCCQ C31H53N11O14S6 995.2098 NA PeJP NA NA +PJ122655 GCCCCDDDY C35H49N9O17S4 995.213 NA PeJP NA NA +PJ122656 PCCCCCCDF C36H53N9O12S6 995.2138 NA PeJP NA NA +PJ122657 GCCCCDMMM C33H57N9O12S7 995.2172 NA PeJP NA NA +PJ122658 SSSSCCCCCN C31H53N11O16S5 995.2276 NA PeJP NA NA +PJ122659 CCCCCCCQK C32H57N11O11S7 995.2284 NA PeJP NA NA +PJ122660 GACCCCCCCK C32H57N11O11S7 995.2285 NA PeJP NA NA +PJ122661 SPCCCCCDY C36H53N9O14S5 995.2316 NA PeJP NA NA +PJ122662 SSCCCCEMM C33H57N9O14S6 995.235 NA PeJP NA NA +PJ122663 GCCCCCMHH C34H53N13O10S6 995.2363 NA PeJP NA NA +PJ122664 GCCCDDDEH C34H49N11O18S3 995.242 NA PeJP NA NA +PJ122665 GCCCCCNQY C35H53N11O13S5 995.2428 NA PeJP NA NA +PJ122666 GSSCCCCCCK C32H57N11O13S6 995.2462 NA PeJP NA NA +PJ122667 CCCCCEFW C40H53N9O11S5 995.2469 NA PeJP NA NA +PJ122668 GDDDDDDDD C34H45N9O26 995.2476 NA PeJP NA NA +PJ122669 ASCCCCDEY C36H53N9O16S4 995.2493 NA PeJP NA NA +PJ122670 GSCCCDDMY C36H53N9O16S4 995.2494 NA PeJP NA NA +PJ122671 APCCCCCMY C37H57N9O11S6 995.2502 NA PeJP NA NA +PJ122672 GSCCCMMMM C34H61N9O11S7 995.2536 NA PeJP NA NA +PJ122673 STCCCCCHH C34H53N13O12S5 995.2541 NA PeJP NA NA +PJ122674 CCCDDDHW C38H49N11O15S3 995.2572 NA PeJP NA NA +PJ122675 SSCCDDDDH C34H49N11O20S2 995.2597 NA PeJP NA NA +PJ122676 SSCCCCNNY C35H53N11O15S4 995.2606 NA PeJP NA NA +PJ122677 PPCCCCCMH C36H57N11O10S6 995.2615 NA PeJP NA NA +PJ122678 SCCCCEYW C40H53N9O13S4 995.2646 NA PeJP NA NA +PJ122679 CCCCCCCKK C33H61N11O10S7 995.2648 NA PeJP NA NA +PJ122680 SPCDDDDDD C35H49N9O23S 995.2663 NA PeJP NA NA +PJ122681 SSSCCCDEY C36H53N9O18S3 995.2671 NA PeJP NA NA +PJ122682 CCCNEMMY C37H57N9O13S5 995.268 NA PeJP NA NA +PJ122683 SSTCCCMMM C34H61N9O13S6 995.2713 NA PeJP NA NA +PJ122684 GCCCNNDMH C34H53N13O14S4 995.2718 NA PeJP NA NA +PJ122685 GCNNDDDDE C34H49N11O22S 995.2775 NA PeJP NA NA +PJ122686 ASCCDDDMH C35H53N11O17S3 995.2783 NA PeJP NA NA +PJ122687 GSCCDDEMH C35H53N11O17S3 995.2784 NA PeJP NA NA +PJ122688 CCCCDMRY C36H57N11O12S5 995.2792 NA PeJP NA NA +PJ122689 CCCNDEFY C40H53N9O15S3 995.2824 NA PeJP NA NA +PJ122690 GCCCMMYW C41H57N9O10S5 995.2832 NA PeJP NA NA +PJ122691 GSDDDDDEE C35H49N9O25 995.284 NA PeJP NA NA +PJ122692 GPCDDDDEM C36H53N9O20S2 995.2849 NA PeJP NA NA +PJ122693 GSSCCDMMY C37H57N9O15S4 995.2857 NA PeJP NA NA +PJ122694 CCCQMMMF C38H61N9O10S6 995.2866 NA PeJP NA NA +PJ122695 CCCCNQHW C38H53N13O11S4 995.2871 NA PeJP NA NA +PJ122696 SSCCCNNEH C34H53N13O16S3 995.2896 NA PeJP NA NA +PJ122697 CNNDDDDW C38H49N11O19S 995.2927 NA PeJP NA NA +PJ122698 GGGGCDDDDW C38H49N11O19S 995.2928 NA PeJP NA NA +PJ122699 SCCDDMHW C39H53N11O14S3 995.2936 NA PeJP NA NA +PJ122700 SSNNDDDDD C34H49N11O24 995.2952 NA PeJP NA NA +PJ122701 GGGGSSDDDDD C34H49N11O24 995.2953 NA PeJP NA NA +PJ122702 SSSCDDDMH C35H53N11O19S2 995.2961 NA PeJP NA NA +PJ122703 CNDDMMMH C36H57N11O14S4 995.297 NA PeJP NA NA +PJ122704 GCCCDFYW C44H53N9O12S3 995.2976 NA PeJP NA NA +PJ122705 CCCCMMFR C37H61N11O9S6 995.2978 NA PeJP NA NA +PJ122706 GPCCCCHHH C37H53N15O10S4 995.2983 NA PeJP NA NA +PJ122707 SDDDDDEW C39H49N9O22 995.2993 NA PeJP NA NA +PJ122708 PCDDDDMW C40H53N9O17S2 995.3001 NA PeJP NA NA +PJ122709 STCCCMYW C41H57N9O12S4 995.301 NA PeJP NA NA +PJ122710 NDDDEEEM C36H53N9O22S 995.3026 NA PeJP NA NA +PJ122711 SSSSCCEMY C37H57N9O17S3 995.3035 NA PeJP NA NA +PJ122712 SCCQMMMY C38H61N9O12S5 995.3044 NA PeJP NA NA +PJ122713 GSSCCCNHW C38H53N13O13S3 995.3048 NA PeJP NA NA +PJ122714 GSSSSCCNDH C34H53N13O18S2 995.3073 NA PeJP NA NA +PJ122715 GGGGGCNNDDM C34H53N13O18S2 995.3074 NA PeJP NA NA +PJ122716 CCCDEMHR C35H57N13O13S4 995.3082 NA PeJP NA NA +PJ122717 GSPCCNDDW C39H53N11O16S2 995.3114 NA PeJP NA NA +PJ122718 GCCEMMHW C40H57N11O11S4 995.3122 NA PeJP NA NA +PJ122719 DDDDDDMR C35H53N11O21S 995.3139 NA PeJP NA NA +PJ122720 GSSCDEMMH C36H57N11O16S3 995.3147 NA PeJP NA NA +PJ122721 GGGGGPCDDMM C36H57N11O16S3 995.3148 NA PeJP NA NA +PJ122722 GSCCDYYW C44H53N9O14S2 995.3154 NA PeJP NA NA +PJ122723 SCCCMMRY C37H61N11O11S5 995.3156 NA PeJP NA NA +PJ122724 CCNDMHHH C37H53N15O12S3 995.3161 NA PeJP NA NA +PJ122725 GCCCMFFW C45H57N9O9S4 995.3163 NA PeJP NA NA +PJ122726 GDDDEEMW C40H53N9O19S 995.3179 NA PeJP NA NA +PJ122727 SCCNNNNNN C33H53N15O17S2 995.3186 NA PeJP NA NA +PJ122728 GCNDMMYY C41H57N9O14S3 995.3187 NA PeJP NA NA +PJ122729 GGGCDMMYY C41H57N9O14S3 995.3188 NA PeJP NA NA +PJ122730 GSCCCCQHR C34H57N15O12S4 995.3194 NA PeJP NA NA +PJ122731 GGGTCCCCHR C34H57N15O12S4 995.3195 NA PeJP NA NA +PJ122732 GSSDDEEEE C36H53N9O24 995.3204 NA PeJP NA NA +PJ122733 GSPDDDEMM C37H57N9O19S2 995.3213 NA PeJP NA NA +PJ122734 NDDDDEHH C37H49N13O20 995.3217 NA PeJP NA NA +PJ122735 GSSSCMMMY C38H61N9O14S4 995.3221 NA PeJP NA NA +PJ122736 CCNNNNEW C38H53N13O15S2 995.3226 NA PeJP NA NA +PJ122737 CCCKMMMF C39H65N9O9S6 995.323 NA PeJP NA NA +PJ122738 CCCCNKHW C39H57N13O10S4 995.3235 NA PeJP NA NA +PJ122739 GSCNDDDDR C34H53N13O20S 995.3251 NA PeJP NA NA +PJ122740 SSSCCNQMH C35H57N13O15S3 995.3259 NA PeJP NA NA +PJ122741 GPCCCNDER C35H57N13O15S3 995.326 NA PeJP NA NA +PJ122742 GCCDEHFW C43H53N11O13S2 995.3266 NA PeJP NA NA +PJ122743 CCMMHWW C44H57N11O8S4 995.3275 NA PeJP NA NA +PJ122744 SNNDDDMW C39H53N11O18S 995.3291 NA PeJP NA NA +PJ122745 SSCDMMHW C40H57N11O13S3 995.33 NA PeJP NA NA +PJ122746 ACCCHHHW C41H53N15O9S3 995.3313 NA PeJP NA NA +PJ122747 SSSNNDDEE C35H53N11O23 995.3316 NA PeJP NA NA +PJ122748 SSSSDDMMH C36H57N11O18S2 995.3325 NA PeJP NA NA +PJ122749 DDDEMWW C44H53N9O16S 995.3331 NA PeJP NA NA +PJ122750 SSPTCCMMH C37H61N11O13S4 995.3333 NA PeJP NA NA +PJ122751 SNDMMMMH C37H61N11O13S4 995.3334 NA PeJP NA NA +PJ122752 GSSCCEHHH C37H53N15O14S2 995.3338 NA PeJP NA NA +PJ122753 GGGGGPCCDHH C37H53N15O14S2 995.3339 NA PeJP NA NA +PJ122754 CCQMYYW C45H57N9O11S3 995.334 NA PeJP NA NA +PJ122755 SSDDEEEW C40H53N9O21 995.3356 NA PeJP NA NA +PJ122756 GGPDDDEEY C40H53N9O21 995.3357 NA PeJP NA NA +PJ122757 SPDDDMMW C41H57N9O16S2 995.3365 NA PeJP NA NA +PJ122758 GDDDDHHW C41H49N13O17 995.337 NA PeJP NA NA +PJ122759 SSSCCCNHR C34H57N15O14S3 995.3372 NA PeJP NA NA +PJ122760 PPCCEMMW C42H61N9O11S4 995.3374 NA PeJP NA NA +PJ122761 GCCNNNWW C42H53N13O12S2 995.3378 NA PeJP NA NA +PJ122762 GGGCCNNWW C42H53N13O12S2 995.3379 NA PeJP NA NA +PJ122763 SNEEEEEM C37H57N9O21S 995.339 NA PeJP NA NA +PJ122764 DDEEYYY C45H53N7O19 995.3396 NA PeJP NA NA +PJ122765 SSSSTCMMY C38H61N9O16S3 995.3399 NA PeJP NA NA +PJ122766 GSSCNNNDW C38H53N13O17S 995.3403 NA PeJP NA NA +PJ122767 GGGSSCNNDW C38H53N13O17S 995.3404 NA PeJP NA NA +PJ122768 SCCKMMMY C39H65N9O11S5 995.3407 NA PeJP NA NA +PJ122769 PCCCNDRW C39H57N13O12S3 995.3412 NA PeJP NA NA +PJ122770 CCDHFWW C47H53N11O10S2 995.3419 NA PeJP NA NA +PJ122771 GSSSSNNNDD C34H53N13O22 995.3428 NA PeJP NA NA +PJ122772 GGGSSSSNNDD C34H53N13O22 995.3429 NA PeJP NA NA +PJ122773 CNNDDEMR C35H57N13O17S2 995.3437 NA PeJP NA NA +PJ122774 GGGGGGGGGSDMM C35H57N13O17S2 995.3438 NA PeJP NA NA +PJ122775 EEMMMYY C43H61N7O14S3 995.3439 NA PeJP NA NA +PJ122776 GSCNDEWW C43H53N11O15S 995.3444 NA PeJP NA NA +PJ122777 SCCEMMHR C36H61N13O12S4 995.3446 NA PeJP NA NA +PJ122778 GPCCNMWW C44H57N11O10S3 995.3452 NA PeJP NA NA +PJ122779 GGGPCCMWW C44H57N11O10S3 995.3453 NA PeJP NA NA +PJ122780 GSSSNDDEW C39H53N11O20 995.3469 NA PeJP NA NA +PJ122781 GNNDEMMW C40H57N11O15S2 995.3477 NA PeJP NA NA +PJ122782 GGGNDEMMW C40H57N11O15S2 995.3478 NA PeJP NA NA +PJ122783 GTCMMMHW C41H61N11O10S4 995.3486 NA PeJP NA NA +PJ122784 SSCCHHHW C41H53N15O11S2 995.3491 NA PeJP NA NA +PJ122785 GSSNNEEEM C36H57N11O20S 995.3502 NA PeJP NA NA +PJ122786 SDDDEEMR C36H57N11O20S 995.3503 NA PeJP NA NA +PJ122787 GPDDDEYW C44H53N9O18 995.3509 NA PeJP NA NA +PJ122788 PCDDEMMR C37H61N11O15S3 995.3511 NA PeJP NA NA +PJ122789 SSSSCDHHH C37H53N15O16S 995.3516 NA PeJP NA NA +PJ122790 GSSCMYYW C45H57N9O13S2 995.3518 NA PeJP NA NA +PJ122791 GQMMMMMH C38H65N11O10S5 995.352 NA PeJP NA NA +PJ122792 CCCNNHFR C38H57N15O11S3 995.3525 NA PeJP NA NA +PJ122793 ASSSSCEYY C41H57N9O18S 995.3542 NA PeJP NA NA +PJ122794 GSEEEEMW C41H57N9O18S 995.3543 NA PeJP NA NA +PJ122795 CCNDDDRR C34H57N15O16S2 995.355 NA PeJP NA NA +PJ122796 GPDEMMMW C42H61N9O13S3 995.3551 NA PeJP NA NA +PJ122797 SPCDDHHW C42H53N13O14S 995.3556 NA PeJP NA NA +PJ122798 GSCCCCKHR C35H61N15O11S4 995.3558 NA PeJP NA NA +PJ122799 GSSTEEEEE C37H57N9O23 995.3568 NA PeJP NA NA +PJ122800 AQEEEEMM C38H61N9O18S2 995.3576 NA PeJP NA NA +PJ122801 GAAEEEEMM C38H61N9O18S2 995.3577 NA PeJP NA NA +PJ122802 NNNNNDEY C38H53N13O19 995.3581 NA PeJP NA NA +PJ122803 DEEMFYY C46H57N7O16S 995.3583 NA PeJP NA NA +PJ122804 GSPPDMMMM C39H65N9O13S4 995.3585 NA PeJP NA NA +PJ122805 GCNDDMRW C39H57N13O14S2 995.359 NA PeJP NA NA +PJ122806 SCNDWWW C47H53N11O12S 995.3596 NA PeJP NA NA +PJ122807 PCCCMHFR C40H61N13O9S4 995.3599 NA PeJP NA NA +PJ122808 GSSNDDDMR C35H57N13O19S 995.3615 NA PeJP NA NA +PJ122809 SSSNDDWW C43H53N11O17 995.3621 NA PeJP NA NA +PJ122810 GGGGGDDEFW C43H53N11O17 995.3622 NA PeJP NA NA +PJ122811 ASPCCCQER C36H61N13O14S3 995.3623 NA PeJP NA NA +PJ122812 GSPCCNEMR C36H61N13O14S3 995.3624 NA PeJP NA NA +PJ122813 GSCNNNNHH C36H53N17O15S 995.3628 NA PeJP NA NA +PJ122814 GGGGGGGGGSCHH C36H53N17O15S 995.3629 NA PeJP NA NA +PJ122815 NNDMMWW C44H57N11O12S2 995.363 NA PeJP NA NA +PJ122816 GCMMMMHR C37H65N13O9S5 995.3632 NA PeJP NA NA +PJ122817 TCCCHHHR C37H57N17O10S3 995.3637 NA PeJP NA NA +PJ122818 SSNNEEMW C40H57N11O17S 995.3655 NA PeJP NA NA +PJ122819 PDDDYWW C48H53N9O15 995.3662 NA PeJP NA NA +PJ122820 SSSMMMHW C41H61N11O12S3 995.3664 NA PeJP NA NA +PJ122821 GCNNEHHW C41H53N15O13S 995.3668 NA PeJP NA NA +PJ122822 GGGCNEHHW C41H53N15O13S 995.3669 NA PeJP NA NA +PJ122823 CCQFFYW C49H57N9O10S2 995.367 NA PeJP NA NA +PJ122824 SSSSNQEEE C36H57N11O22 995.368 NA PeJP NA NA +PJ122825 GDEEEMMR C37H61N11O17S2 995.3689 NA PeJP NA NA +PJ122826 GSSNNDEHH C37H53N15O18 995.3693 NA PeJP NA NA +PJ122827 SDDDDHHR C37H53N15O18 995.3694 NA PeJP NA NA +PJ122828 SEEEMWW C45H57N9O15S 995.3695 NA PeJP NA NA +PJ122829 STQMMMMH C38H65N11O12S4 995.3697 NA PeJP NA NA +PJ122830 GGGGPQMMMM C38H65N11O12S4 995.3698 NA PeJP NA NA +PJ122831 SCCNNNRW C38H57N15O13S2 995.3702 NA PeJP NA NA +PJ122832 PDMMMWW C46H61N9O10S3 995.3704 NA PeJP NA NA +PJ122833 SSTEEEEW C41H57N9O20 995.372 NA PeJP NA NA +PJ122834 SSSCNNNDR C34H57N15O18S 995.3727 NA PeJP NA NA +PJ122835 AAEEEMMW C42H61N9O15S2 995.3729 NA PeJP NA NA +PJ122836 GNNNNDYW C42H53N13O16 995.3734 NA PeJP NA NA +PJ122837 GSPCCCDRR C35H61N15O13S3 995.3736 NA PeJP NA NA +PJ122838 PPTCMMMW C43H65N9O10S4 995.3738 NA PeJP NA NA +PJ122839 CCNERWW C43H57N13O11S2 995.3742 NA PeJP NA NA +PJ122840 SDKEEEEM C38H61N9O20S 995.3754 NA PeJP NA NA +PJ122841 TEEEYYY C46H57N7O18 995.376 NA PeJP NA NA +PJ122842 PTQEEMMM C39H65N9O15S3 995.3763 NA PeJP NA NA +PJ122843 SSCNDERW C39H57N13O16S 995.3767 NA PeJP NA NA +PJ122844 GGGGGGGSSSMW C39H57N13O16S 995.3768 NA PeJP NA NA +PJ122845 PEMMYYY C47H61N7O13S2 995.3769 NA PeJP NA NA +PJ122846 PPQMMMMM C40H69N9O10S5 995.3771 NA PeJP NA NA +PJ122847 NNDDFWW C47H53N11O14 995.3774 NA PeJP NA NA +PJ122848 SPCCNMRW C40H61N13O11S3 995.3776 NA PeJP NA NA +PJ122849 PCNDHHHH C40H53N17O12S 995.3781 NA PeJP NA NA +PJ122850 ACNMWWW C48H57N11O9S2 995.3782 NA PeJP NA NA +PJ122851 GCQMWWW C48H57N11O9S2 995.3783 NA PeJP NA NA +PJ122852 SSSSNDDER C35H57N13O21 995.3792 NA PeJP NA NA +PJ122853 GGGGGGGSSSSTE C35H57N13O21 995.3793 NA PeJP NA NA +PJ122854 SNNDEMMR C36H61N13O16S2 995.3801 NA PeJP NA NA +PJ122855 GPCNQEYW C44H57N11O14S 995.3807 NA PeJP NA NA +PJ122856 GSSNEMWW C44H57N11O14S 995.3808 NA PeJP NA NA +PJ122857 STCMMMHR C37H65N13O11S4 995.381 NA PeJP NA NA +PJ122858 APCCCKWW C45H61N11O9S3 995.3816 NA PeJP NA NA +PJ122859 CNNHHWW C45H53N15O10S 995.3821 NA PeJP NA NA +PJ122860 ASSSSDQEW C40H57N11O19 995.3832 NA PeJP NA NA +PJ122861 GSSSSQEEW C40H57N11O19 995.3833 NA PeJP NA NA +PJ122862 DEEMMRW C41H61N11O14S2 995.3841 NA PeJP NA NA +PJ122863 GGGGGGPEMMF C41H61N11O14S2 995.3842 NA PeJP NA NA +PJ122864 SSNNDHHW C41H53N15O15 995.3846 NA PeJP NA NA +PJ122865 PDDMFWW C49H57N9O12S 995.3848 NA PeJP NA NA +PJ122866 PCCKMMHF C42H65N11O9S4 995.385 NA PeJP NA NA +PJ122867 GCQMHHHF C42H57N15O10S2 995.3855 NA PeJP NA NA +PJ122868 SSEEEEMR C37H61N11O19S 995.3866 NA PeJP NA NA +PJ122869 GSPEEEYW C45H57N9O17 995.3873 NA PeJP NA NA +PJ122870 SPDEMMMR C38H65N11O14S3 995.3875 NA PeJP NA NA +PJ122871 CNNNNDFR C38H57N15O15S 995.388 NA PeJP NA NA +PJ122872 CLEEMWW C46H61N9O12S2 995.3881 NA PeJP NA NA +PJ122873 VDEMMWW C46H61N9O12S2 995.3882 NA PeJP NA NA +PJ122874 PPCMMMMR C39H69N11O9S5 995.3884 NA PeJP NA NA +PJ122875 SDEHHWW C46H53N13O13 995.3886 NA PeJP NA NA +PJ122876 TCCKMHHH C39H61N15O10S3 995.3888 NA PeJP NA NA +PJ122877 GCCRWWW C47H57N13O8S2 995.3895 NA PeJP NA NA +PJ122878 GSSSTTMYY C42H61N9O17S 995.3906 NA PeJP NA NA +PJ122879 ATTEEEMW C42H61N9O17S 995.3907 NA PeJP NA NA +PJ122880 PDEFYYY C50H57N7O15 995.3913 NA PeJP NA NA +PJ122881 GGSCDDMRR C35H61N15O15S2 995.3914 NA PeJP NA NA +PJ122882 APTEMMMW C43H65N9O12S3 995.3915 NA PeJP NA NA +PJ122883 GSSCDRWW C43H57N13O13S 995.392 NA PeJP NA NA +PJ122884 PCCCQMRR C36H65N15O10S4 995.3922 NA PeJP NA NA +PJ122885 SSSSLEEEE C38H61N9O22 995.3931 NA PeJP NA NA +PJ122886 GTTTTEEEE C38H61N9O22 995.3932 NA PeJP NA NA +PJ122887 AKEEEEMM C39H65N9O17S2 995.394 NA PeJP NA NA +PJ122888 GSSSSDDRW C39H57N13O18 995.3945 NA PeJP NA NA +PJ122889 VEEMYYY C47H61N7O15S 995.3947 NA PeJP NA NA +PJ122890 PVQEMMMM C40H69N9O12S4 995.3949 NA PeJP NA NA +PJ122891 GSNDMMRW C40H61N13O13S2 995.3954 NA PeJP NA NA +PJ122892 GNEEHHHH C40H53N17O14 995.3958 NA PeJP NA NA +PJ122893 GGGEEHHHH C40H53N17O14 995.3959 NA PeJP NA NA +PJ122894 SSNMWWW C48H57N11O11S 995.396 NA PeJP NA NA +PJ122895 GCCHHHFR C41H57N17O9S2 995.3967 NA PeJP NA NA +PJ122896 SSSSNQQQM C36H61N13O18S 995.3978 NA PeJP NA NA +PJ122897 GSSSNEEMR C36H61N13O18S 995.3979 NA PeJP NA NA +PJ122898 SSSSQEWW C44H57N11O16 995.3985 NA PeJP NA NA +PJ122899 GNQEMMMR C37H65N13O13S3 995.3987 NA PeJP NA NA +PJ122900 GGGGAEMMMR C37H65N13O13S3 995.3988 NA PeJP NA NA +PJ122901 SCNNEHHR C37H57N17O14S 995.3992 NA PeJP NA NA +PJ122902 SQQMMWW C45H61N11O11S2 995.3994 NA PeJP NA NA +PJ122903 SSNDKEMW C41H61N11O16S 995.4019 NA PeJP NA NA +PJ122904 SPEEYWW C49H57N9O14 995.4025 NA PeJP NA NA +PJ122905 GSSCCNNRR C34H61N17O14S2 995.4026 NA PeJP NA NA +PJ122906 AAQQMMMW C42H65N11O11S3 995.4027 NA PeJP NA NA +PJ122907 GVNQMMMW C42H65N11O11S3 995.4028 NA PeJP NA NA +PJ122908 DDMHHRW C42H57N15O12S 995.4032 NA PeJP NA NA +PJ122909 GGGGGAPCHHF C42H57N15O12S 995.4033 NA PeJP NA NA +PJ122910 CCKFFYW C50H61N9O9S2 995.4034 NA PeJP NA NA +PJ122911 PCCCCRRR C35H65N17O9S4 995.4035 NA PeJP NA NA +PJ122912 SSSSNKEEE C37H61N11O21 995.4044 NA PeJP NA NA +PJ122913 SSTTTTMMH C38H65N11O16S2 995.4052 NA PeJP NA NA +PJ122914 ATEEEMMR C38H65N11O16S2 995.4053 NA PeJP NA NA +PJ122915 SNNNNDRY C38H57N15O17 995.4057 NA PeJP NA NA +PJ122916 GGGGGGGGSDRY C38H57N15O17 995.4058 NA PeJP NA NA +PJ122917 AAPEEMYW C46H61N9O14S 995.4059 NA PeJP NA NA +PJ122918 APEMMMMR C39H69N11O11S4 995.4061 NA PeJP NA NA +PJ122919 GSCCERRW C39H61N15O12S2 995.4066 NA PeJP NA NA +PJ122920 GPPMMMFW C47H65N9O9S3 995.4068 NA PeJP NA NA +PJ122921 SNNNHHHH C39H53N19O13 995.4071 NA PeJP NA NA +PJ122922 AEMHHWW C47H57N13O10S 995.4072 NA PeJP NA NA +PJ122923 VCEHHWW C47H57N13O10S 995.4073 NA PeJP NA NA +PJ122924 TTTTEEEW C42H61N9O19 995.4084 NA PeJP NA NA +PJ122925 GSSSCDERR C35H61N15O17S 995.4091 NA PeJP NA NA +PJ122926 GTLEEMMW C43H65N9O14S2 995.4093 NA PeJP NA NA +PJ122927 NNDERYW C43H57N13O15 995.4097 NA PeJP NA NA +PJ122928 GGNDERYW C43H57N13O15 995.4098 NA PeJP NA NA +PJ122929 PPMYYYY C51H61N7O12S 995.4099 NA PeJP NA NA +PJ122930 GCNEMMRR C36H65N15O12S3 995.41 NA PeJP NA NA +PJ122931 GPLMMMMW C44H69N9O9S4 995.4102 NA PeJP NA NA +PJ122932 SCQMRWW C44H61N13O10S2 995.4106 NA PeJP NA NA +PJ122933 NEHHHHW C44H53N17O11 995.4111 NA PeJP NA NA +PJ122934 ACHFFWW C52H57N11O8S 995.4113 NA PeJP NA NA +PJ122935 TTKEEEEM C39H65N9O19S 995.4118 NA PeJP NA NA +PJ122936 GSPTLEMMM C40H69N9O14S3 995.4126 NA PeJP NA NA +PJ122937 PTKEEMMM C40H69N9O14S3 995.4127 NA PeJP NA NA +PJ122938 SSSNEMRW C40H61N13O15S 995.4131 NA PeJP NA NA +PJ122939 GGGGGGGGGGLMY C40H61N13O15S 995.4132 NA PeJP NA NA +PJ122940 LEMMFYY C48H65N7O12S2 995.4133 NA PeJP NA NA +PJ122941 PPKMMMMM C41H73N9O9S5 995.4135 NA PeJP NA NA +PJ122942 GSSSTWWW C48H57N11O13 995.4138 NA PeJP NA NA +PJ122943 NQMMMRW C41H65N13O10S3 995.414 NA PeJP NA NA +PJ122944 GSCNHHRW C41H57N17O11S 995.4145 NA PeJP NA NA +PJ122945 GCKMWWW C49H61N11O8S2 995.4146 NA PeJP NA NA +PJ122946 SSSSSQEER C36H61N13O20 995.4156 NA PeJP NA NA +PJ122947 SSQQEMMR C37H65N13O15S2 995.4165 NA PeJP NA NA +PJ122948 NNNNQQQH C37H57N17O16 995.4169 NA PeJP NA NA +PJ122949 GSSSNDHHR C37H57N17O16 995.417 NA PeJP NA NA +PJ122950 GSSDKMWW C45H61N11O13S 995.4171 NA PeJP NA NA +PJ122951 GGGGAPTMYW C45H61N11O13S 995.4172 NA PeJP NA NA +PJ122952 PCCQKMMR C38H69N13O10S4 995.4174 NA PeJP NA NA +PJ122953 GNFFYYW C53H57N9O11 995.4178 NA PeJP NA NA +PJ122954 GGGGGMMHHR C38H61N17O11S2 995.4179 NA PeJP NA NA +PJ122955 GSSSSKEEW C41H61N11O18 995.4196 NA PeJP NA NA +PJ122956 AAEEEERY C41H61N11O18 995.4197 NA PeJP NA NA +PJ122957 GSQKEMMW C42H65N11O13S2 995.4205 NA PeJP NA NA +PJ122958 GPNDDHRW C42H57N15O14 995.421 NA PeJP NA NA +PJ122959 ACKYYYW C50H61N9O11S 995.4211 NA PeJP NA NA +PJ122960 PVDMYWW C50H61N9O11S 995.4212 NA PeJP NA NA +PJ122961 SCCRRWW C43H61N15O9S2 995.4219 NA PeJP NA NA +PJ122962 TTTEEEMR C38H65N11O18S 995.423 NA PeJP NA NA +PJ122963 GTTTQYYY C46H61N9O16 995.4236 NA PeJP NA NA +PJ122964 LQEEEYW C46H61N9O16 995.4237 NA PeJP NA NA +PJ122965 GLEEMMMR C39H69N11O13S3 995.4239 NA PeJP NA NA +PJ122966 GNNNQMRY C39H61N15O14S 995.4243 NA PeJP NA NA +PJ122967 SSSCDRRW C39H61N15O14S 995.4244 NA PeJP NA NA +PJ122968 TLEMMWW C47H65N9O11S2 995.4245 NA PeJP NA NA +PJ122969 GNDRYWW C47H57N13O12 995.425 NA PeJP NA NA +PJ122970 CNMMRRW C40H65N15O9S3 995.4252 NA PeJP NA NA +PJ122971 GHHHHWW C48H53N17O8 995.4264 NA PeJP NA NA +PJ122972 GSSSSSSNQR C35H61N15O19 995.4268 NA PeJP NA NA +PJ122973 SSSSSDDRR C35H61N15O19 995.4269 NA PeJP NA NA +PJ122974 STTLEEMW C43H65N9O16S 995.427 NA PeJP NA NA +PJ122975 AAAVEEEMF C43H65N9O16S 995.4271 NA PeJP NA NA +PJ122976 PVEYYYY C51H61N7O14 995.4277 NA PeJP NA NA +PJ122977 GVLEMMMW C44H69N9O11S3 995.4279 NA PeJP NA NA +PJ122978 NNNNNNHR C36H57N19O15 995.4282 NA PeJP NA NA +PJ122979 GSSSMRWW C44H61N13O12S 995.4284 NA PeJP NA NA +PJ122980 PCCCKMRR C37H69N15O9S4 995.4286 NA PeJP NA NA +PJ122981 QQYWWW C52H57N11O10 995.429 NA PeJP NA NA +PJ122982 GCCQHHRR C37H61N19O10S2 995.4291 NA PeJP NA NA +PJ122983 SSTTTLEEE C39H65N9O21 995.4295 NA PeJP NA NA +PJ122984 SLKEEEMM C40H69N9O16S2 995.4304 NA PeJP NA NA +PJ122985 GSSSSTERW C40H61N13O17 995.4309 NA PeJP NA NA +PJ122986 PVKEMMMM C41H73N9O11S4 995.4313 NA PeJP NA NA +PJ122987 GSTQMMRW C41H65N13O12S2 995.4317 NA PeJP NA NA +PJ122988 GSCKEMRW C41H65N13O12S2 995.4318 NA PeJP NA NA +PJ122989 GNNDHHFR C41H57N17O13 995.4322 NA PeJP NA NA +PJ122990 STCKWWW C49H61N11O10S 995.4324 NA PeJP NA NA +PJ122991 GSSSDKEMR C37H65N13O17S 995.4342 NA PeJP NA NA +PJ122992 GGASSTTEMR C37H65N13O17S 995.4343 NA PeJP NA NA +PJ122993 SSSSKEWW C45H61N11O15 995.4349 NA PeJP NA NA +PJ122994 GNKEMMMR C38H69N13O12S3 995.4351 NA PeJP NA NA +PJ122995 GCNNNRRY C38H61N17O13S 995.4356 NA PeJP NA NA +PJ122996 SQKMMWW C46H65N11O10S2 995.4358 NA PeJP NA NA +PJ122997 NQQHHFW C46H57N15O11 995.4362 NA PeJP NA NA +PJ122998 GGGGAAHHFW C46H57N15O11 995.4363 NA PeJP NA NA +PJ122999 SSTQKEMW C42H65N11O15S 995.4383 NA PeJP NA NA +PJ123000 ALEEYWW C50H61N9O13 995.4389 NA PeJP NA NA +PJ123001 SSCCERRR C35H65N17O13S2 995.439 NA PeJP NA NA +PJ123002 LEMMMRW C43H69N11O10S3 995.4391 NA PeJP NA NA +PJ123003 GGGVKMMMW C43H69N11O10S3 995.4392 NA PeJP NA NA +PJ123004 CNDFRRW C43H61N15O11S 995.4396 NA PeJP NA NA +PJ123005 PVMMFWW C51H65N9O8S2 995.4398 NA PeJP NA NA +PJ123006 GPQHWWW C51H57N13O9 995.4403 NA PeJP NA NA +PJ123007 STTTTTQQE C38H65N11O20 995.4407 NA PeJP NA NA +PJ123008 SSSSDKKEE C38H65N11O20 995.4408 NA PeJP NA NA +PJ123009 STLEEMMR C39H69N11O15S2 995.4416 NA PeJP NA NA +PJ123010 GGTDKKEMM C39H69N11O15S2 995.4417 NA PeJP NA NA +PJ123011 GSNDERRY C39H61N15O16 995.4421 NA PeJP NA NA +PJ123012 GGGGGGGGAALEH C39H61N15O16 995.4422 NA PeJP NA NA +PJ123013 GPTLEMYW C47H65N9O13S 995.4423 NA PeJP NA NA +PJ123014 SPLMMMMR C40H73N11O10S4 995.4425 NA PeJP NA NA +PJ123015 PPFFYYY C55H61N7O11 995.4429 NA PeJP NA NA +PJ123016 GSTCMRRW C40H65N15O11S2 995.443 NA PeJP NA NA +PJ123017 VLMMMWW C48H69N9O8S3 995.4432 NA PeJP NA NA +PJ123018 GSEHHHHR C40H57N19O12 995.4435 NA PeJP NA NA +PJ123019 GNMFRWW C48H61N13O9S 995.4436 NA PeJP NA NA +PJ123020 GLKEEEEY C43H65N9O18 995.4448 NA PeJP NA NA +PJ123021 GSSSSEMRR C36H65N15O16S 995.4455 NA PeJP NA NA +PJ123022 SSLLEMMW C44H69N9O13S2 995.4457 NA PeJP NA NA +PJ123023 SSSSTRWW C44H61N13O14 995.4461 NA PeJP NA NA +PJ123024 GGGGGGASKYW C44H61N13O14 995.4462 NA PeJP NA NA +PJ123025 PLMFYYY C52H65N7O11S 995.4463 NA PeJP NA NA +PJ123026 GSQMMMRR C37H69N15O11S3 995.4464 NA PeJP NA NA +PJ123027 SSCNHHRR C37H61N19O12S 995.4468 NA PeJP NA NA +PJ123028 SCKMRWW C45H65N13O9S2 995.447 NA PeJP NA NA +PJ123029 DKHHHHW C45H57N17O10 995.4475 NA PeJP NA NA +PJ123030 SSSTLLEEM C40H69N9O18S 995.4482 NA PeJP NA NA +PJ123031 VVKEEMMM C41H73N9O13S3 995.449 NA PeJP NA NA +PJ123032 SSSDKMRW C41H65N13O14S 995.4495 NA PeJP NA NA +PJ123033 LLMMYYY C49H69N7O11S2 995.4497 NA PeJP NA NA +PJ123034 GQKEYWW C49H61N11O12 995.4501 NA PeJP NA NA +PJ123035 GGAKEYWW C49H61N11O12 995.4502 NA PeJP NA NA +PJ123036 NKMMMRW C42H69N13O9S3 995.4504 NA PeJP NA NA +PJ123037 AVQMHHHH C42H61N17O10S 995.4508 NA PeJP NA NA +PJ123038 GLQMHHHH C42H61N17O10S 995.4509 NA PeJP NA NA +PJ123039 PPHHHWW C50H57N15O8 995.4515 NA PeJP NA NA +PJ123040 SSSSSKEER C37H65N13O19 995.452 NA PeJP NA NA +PJ123041 SSQKEMMR C38H69N13O14S2 995.4529 NA PeJP NA NA +PJ123042 GSSSTQHHR C38H61N17O15 995.4533 NA PeJP NA NA +PJ123043 SPNDDHRR C38H61N17O15 995.4534 NA PeJP NA NA +PJ123044 GSTTKMWW C46H65N11O12S 995.4535 NA PeJP NA NA +PJ123045 GGGGGGPLMFF C46H65N11O12S 995.4536 NA PeJP NA NA +PJ123046 PCCKKMMR C39H73N13O9S4 995.4538 NA PeJP NA NA +PJ123047 PPTFYWW C54H61N9O10 995.4542 NA PeJP NA NA +PJ123048 GSSTTTKEW C42H65N11O17 995.456 NA PeJP NA NA +PJ123049 GGGPPPKEEE C42H65N11O17 995.4561 NA PeJP NA NA +PJ123050 GSKKEMMW C43H69N11O12S2 995.4569 NA PeJP NA NA +PJ123051 SNDRRYW C43H61N15O13 995.4574 NA PeJP NA NA +PJ123052 PTLMYWW C51H65N9O10S 995.4575 NA PeJP NA NA +PJ123053 CLLEFWW C51H65N9O10S 995.4576 NA PeJP NA NA +PJ123054 VMMHHRW C44H65N15O8S2 995.4582 NA PeJP NA NA +PJ123055 SHHHHRW C44H57N19O9 995.4587 NA PeJP NA NA +PJ123056 GSSTKKEEM C39H69N11O17S 995.4594 NA PeJP NA NA +PJ123057 ASVLEEYW C47H65N9O15 995.46 NA PeJP NA NA +PJ123058 LKEEEYW C47H65N9O15 995.4601 NA PeJP NA NA +PJ123059 SVLEMMMR C40H73N11O12S3 995.4603 NA PeJP NA NA +PJ123060 SSSSMRRW C40H65N15O13S 995.4607 NA PeJP NA NA +PJ123061 AAAACDRRY C40H65N15O13S 995.4608 NA PeJP NA NA +PJ123062 GPVLMMYW C48H69N9O10S2 995.4609 NA PeJP NA NA +PJ123063 GTQRYWW C48H61N13O11 995.4614 NA PeJP NA NA +PJ123064 AAMHHHHR C41H61N19O9S 995.4621 NA PeJP NA NA +PJ123065 SSSSSTERR C36H65N15O18 995.4632 NA PeJP NA NA +PJ123066 SPLKEEMY C44H69N9O15S 995.4634 NA PeJP NA NA +PJ123067 VLEFYYY C52H65N7O13 995.4641 NA PeJP NA NA +PJ123068 ATLLMMMW C45H73N9O10S3 995.4643 NA PeJP NA NA +PJ123069 GNNNEHRR C37H61N19O14 995.4646 NA PeJP NA NA +PJ123070 VNQMRYW C45H65N13O11S 995.4647 NA PeJP NA NA +PJ123071 GGVQMRYW C45H65N13O11S 995.4648 NA PeJP NA NA +PJ123072 QKYWWW C53H61N11O9 995.4654 NA PeJP NA NA +PJ123073 GCCKHHRR C38H65N19O9S2 995.4655 NA PeJP NA NA +PJ123074 TTTTTTLEE C40H69N9O20 995.4659 NA PeJP NA NA +PJ123075 GTTTLLEMM C41H73N9O15S2 995.4668 NA PeJP NA NA +PJ123076 SSSSSSLRW C41H65N13O16 995.4672 NA PeJP NA NA +PJ123077 ASSSTTTRW C41H65N13O16 995.4673 NA PeJP NA NA +PJ123078 VLLQMMMM C42H77N9O10S4 995.4677 NA PeJP NA NA +PJ123079 GSTKMMRW C42H69N13O11S2 995.4681 NA PeJP NA NA +PJ123080 GGGGALMMFR C42H69N13O11S2 995.4682 NA PeJP NA NA +PJ123081 NQQQHRW C42H61N17O12 995.4686 NA PeJP NA NA +PJ123082 AQKMFWW C50H65N11O9S 995.4688 NA PeJP NA NA +PJ123083 GSSTTKEMR C38H69N13O16S 995.4706 NA PeJP NA NA +PJ123084 SSTTTKWW C46H65N11O14 995.4713 NA PeJP NA NA +PJ123085 GDKKMMMR C39H73N13O11S3 995.4715 NA PeJP NA NA +PJ123086 CNERRRY C39H65N17O12S 995.472 NA PeJP NA NA +PJ123087 SKKMMWW C47H69N11O9S2 995.4721 NA PeJP NA NA +PJ123088 PLMMRYW C47H69N11O9S2 995.4722 NA PeJP NA NA +PJ123089 SPQHRWW C47H61N15O10 995.4726 NA PeJP NA NA +PJ123090 SSTKKEMW C43H69N11O14S 995.4746 NA PeJP NA NA +PJ123091 STTDKKMW C43H69N11O14S 995.4747 NA PeJP NA NA +PJ123092 SLLEYWW C51H65N9O12 995.4753 NA PeJP NA NA +PJ123093 AAKKMMMW C44H73N11O9S3 995.4755 NA PeJP NA NA +PJ123094 GQMRRYW C44H65N15O10S 995.476 NA PeJP NA NA +PJ123095 GPKHWWW C52H61N13O8 995.4766 NA PeJP NA NA +PJ123096 ALHHFWW C52H61N13O8 995.4767 NA PeJP NA NA +PJ123097 SSTTTDKKE C39H69N11O19 995.4771 NA PeJP NA NA +PJ123098 SSSTTKKEE C39H69N11O19 995.4772 NA PeJP NA NA +PJ123099 SDKKKEMM C40H73N11O14S2 995.478 NA PeJP NA NA +PJ123100 GSTQERRY C40H65N15O15 995.4785 NA PeJP NA NA +PJ123101 AALLEMYW C48H69N9O12S 995.4787 NA PeJP NA NA +PJ123102 ALLMMMMR C41H77N11O9S4 995.4789 NA PeJP NA NA +PJ123103 PLFFFYY C56H65N7O10 995.4793 NA PeJP NA NA +PJ123104 APCCKRRY C41H69N15O10S2 995.4794 NA PeJP NA NA +PJ123105 NNNHRRW C41H61N19O11 995.4798 NA PeJP NA NA +PJ123106 GGGGNHRRW C41H61N19O11 995.4799 NA PeJP NA NA +PJ123107 ACKFRWW C49H65N13O8S 995.48 NA PeJP NA NA +PJ123108 SVLKEEEY C44H69N9O17 995.4812 NA PeJP NA NA +PJ123109 GSSTTTMRR C37H69N15O15S 995.4819 NA PeJP NA NA +PJ123110 TTTLLMMW C45H73N9O12S2 995.482 NA PeJP NA NA +PJ123111 PVVKEMMY C45H73N9O12S2 995.4821 NA PeJP NA NA +PJ123112 SQKERYW C45H65N13O13 995.4825 NA PeJP NA NA +PJ123113 GGGGGGAAPPLW C45H65N13O13 995.4826 NA PeJP NA NA +PJ123114 LLMFFYY C53H69N7O10S 995.4827 NA PeJP NA NA +PJ123115 GACCCKKKR C38H73N15O10S3 995.4828 NA PeJP NA NA +PJ123116 GPCDHRRR C38H65N19O11S 995.4832 NA PeJP NA NA +PJ123117 KMMHFFR C46H69N13O8S2 995.4834 NA PeJP NA NA +PJ123118 GPKHHHHF C46H61N17O9 995.4839 NA PeJP NA NA +PJ123119 STTTTLLEM C41H73N9O17S 995.4845 NA PeJP NA NA +PJ123120 TLLKEMMM C42H77N9O12S3 995.4854 NA PeJP NA NA +PJ123121 SSTTKMRW C42H69N13O13S 995.4859 NA PeJP NA NA +PJ123122 GKKEYWW C50H65N11O11 995.4865 NA PeJP NA NA +PJ123123 GPPPKEWW C50H65N11O11 995.4866 NA PeJP NA NA +PJ123124 GCRRRYW C43H65N17O9S 995.4872 NA PeJP NA NA +PJ123125 SSSTTTKER C38H69N13O18 995.4884 NA PeJP NA NA +PJ123126 SSKKEMMR C39H73N13O13S2 995.4893 NA PeJP NA NA +PJ123127 GSSDRRRY C39H65N17O14 995.4897 NA PeJP NA NA +PJ123128 GGGVEEHRR C39H65N17O14 995.4898 NA PeJP NA NA +PJ123129 VLEMRYW C47H69N11O11S 995.4899 NA PeJP NA NA +PJ123130 PVVFYWW C55H65N9O9 995.4906 NA PeJP NA NA +PJ123131 SSSSTTLKW C43H69N11O16 995.4924 NA PeJP NA NA +8263 f(42-49) of bovine kappa casein YYQQKPVA 995.493 NA ;SYN:1-Aminoethane-2-sulfonate; 1-Aminoethane-2-sulfonic acid; 2-Aminoethanesulfonate; 2-Aminoethanesulfonic acid; 2-Aminoethylsulfonate; 2-Aminoethylsulfonic acid; 2-Sulfoethylamine; Aminoethylsulfonate; Aminoethylsulfonic acid; Taurine; b-Aminoethylsulfonate; b-Aminoethylsulfonic acid; beta-Aminoethylsulfonate; beta-Aminoethylsulfonic acidH2Bile; Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +PJ123132 ATTKKMMW C44H73N11O11S2 995.4933 NA PeJP NA NA +PJ123133 STQRRYW C44H65N15O12 995.4937 NA PeJP NA NA +PJ123134 GGTTRRYW C44H65N15O12 995.4938 NA PeJP NA NA +PJ123135 VVLMYWW C52H69N9O9S 995.4939 NA PeJP NA NA +PJ123136 SSSSLKKEM C40H73N11O16S 995.4958 NA PeJP NA NA +PJ123137 ATTLLEYW C48H69N9O14 995.4964 NA PeJP NA NA +PJ123138 GAALLEEFF C48H69N9O14 995.4965 NA PeJP NA NA +PJ123139 TTLLMMMR C41H77N11O11S3 995.4967 NA PeJP NA NA +PJ123140 NKEMRRY C41H69N15O12S 995.4971 NA PeJP NA NA +PJ123141 GGGGAPPPCKR C41H69N15O12S 995.4972 NA PeJP NA NA +PJ123142 GVLLMMFW C49H73N9O9S2 995.4973 NA PeJP NA NA +PJ123143 GTKRYWW C49H65N13O10 995.4978 NA PeJP NA NA +PJ123144 SSSTTTTRR C37H69N15O17 995.4996 NA PeJP NA NA +PJ123145 ALLKEEMY C45H73N9O14S 995.4998 NA PeJP NA NA +PJ123146 VLLYYYY C53H69N7O12 995.5004 NA PeJP NA NA +PJ123147 SSTKMMRR C38H73N15O12S2 995.5005 NA PeJP NA NA +PJ123148 PVLKMMMF C46H77N9O9S3 995.5007 NA PeJP NA NA +PJ123149 NEEHRRR C38H65N19O13 995.501 NA PeJP NA NA +PJ123150 VNKMRYW C46H69N13O10S 995.5011 NA PeJP NA NA +PJ123151 GGVKMRYW C46H69N13O10S 995.5012 NA PeJP NA NA +PJ123152 KKYWWW C54H65N11O8 995.5018 NA PeJP NA NA +PJ123153 SSTTLLLMM C42H77N9O14S2 995.5032 NA PeJP NA NA +PJ123154 ASDKKERY C42H69N13O15 995.5036 NA PeJP NA NA +PJ123155 GSKKEERY C42H69N13O15 995.5037 NA PeJP NA NA +PJ123156 VLLKMMMM C43H81N9O9S4 995.5041 NA PeJP NA NA +PJ123157 APCKKMRY C43H73N13O10S2 995.5045 NA PeJP NA NA +PJ123158 VNEHRRW C43H65N17O11 995.505 NA PeJP NA NA +PJ123159 AKKMFWW C51H69N11O8S 995.5052 NA PeJP NA NA +PJ123160 SSSSTLKMR C39H73N13O15S 995.507 NA PeJP NA NA +PJ123161 DKKKEYW C47H69N11O13 995.5077 NA PeJP NA NA +PJ123162 ATKKMMMR C40H77N13O10S3 995.5079 NA PeJP NA NA +PJ123163 SQMRRRY C40H69N17O11S 995.5084 NA PeJP NA NA +PJ123164 LLMMFRW C48H73N11O8S2 995.5085 NA PeJP NA NA +PJ123165 SPKHRWW C48H65N15O9 995.509 NA PeJP NA NA +PJ123166 TTTTKKMW C44H73N11O13S 995.511 NA PeJP NA NA +PJ123167 GGALKKEMY C44H73N11O13S 995.5111 NA PeJP NA NA +PJ123168 AAPLLYYW C52H69N9O11 995.5117 NA PeJP NA NA +PJ123169 GSNNHRRR C37H65N21O12 995.5122 NA PeJP NA NA +PJ123170 GKMRRYW C45H69N15O9S 995.5124 NA PeJP NA NA +PJ123171 STTTTTKKE C40H73N11O18 995.5135 NA PeJP NA NA +PJ123172 TTKKKEMM C41H77N11O13S2 995.5144 NA PeJP NA NA +PJ123173 GSTKERRY C41H69N15O14 995.5149 NA PeJP NA NA +PJ123174 GTLLLMYW C49H73N9O11S 995.5151 NA PeJP NA NA +PJ123175 LLFFFFY C57H69N7O9 995.5157 NA PeJP NA NA +PJ123176 QKMMFRR C42H73N15O9S2 995.5158 NA PeJP NA NA +PJ123177 GEHRRRW C42H65N19O10 995.5162 NA PeJP NA NA +PJ123178 TTLLKEEY C45H73N9O16 995.5176 NA PeJP NA NA +PJ123179 PTLLKMMY C46H77N9O11S2 995.5184 NA PeJP NA NA +MJ099235 Schistostatin 4 C46H69N13O12 995.518864 NA MeJP NA NA +PJ123180 SKKERYW C46H69N13O12 995.5189 NA PeJP NA NA +PJ123181 CCCKKKKR C39H77N15O9S3 995.5191 NA PeJP NA NA +PJ123182 SCRRRRY C39H69N19O10S 995.5196 NA PeJP NA NA +PJ123183 GVHRRWW C47H65N17O8 995.5203 NA PeJP NA NA +PJ123184 AAKKEMRY C43H73N13O12S 995.5223 NA PeJP NA NA +PJ123185 SVKKYWW C51H69N11O10 995.5229 NA PeJP NA NA +PJ123186 LMHHFRR C44H69N17O8S 995.5236 NA PeJP NA NA +PJ123187 STTTTTTKR C39H73N13O17 995.5248 NA PeJP NA NA +PJ123188 TTTKKMMR C40H77N13O12S2 995.5256 NA PeJP NA NA +PJ123189 GSSCKKKKM C40H77N13O12S2 995.5257 NA PeJP NA NA +PJ123190 GSTTRRRY C40H69N17O13 995.5261 NA PeJP NA NA +PJ123191 GGGGGGGGKKKH C40H69N17O13 995.5262 NA PeJP NA NA +PJ123192 LQKKMYW C48H73N11O10S 995.5263 NA PeJP NA NA +PJ123193 VVLFFWW C56H69N9O8 995.527 NA PeJP NA NA +PJ123194 TTTLLERY C44H73N11O15 995.5288 NA PeJP NA NA +PJ123195 GLLLMMRY C45H77N11O10S2 995.5297 NA PeJP NA NA +PJ123196 STKRRYW C45H69N15O11 995.5301 NA PeJP NA NA +PJ123197 GPPVERRW C45H69N15O11 995.5302 NA PeJP NA NA +PJ123198 HRRRWW C46H65N19O7 995.5315 NA PeJP NA NA +PJ123199 SSTTTLKKM C41H77N11O15S 995.5322 NA PeJP NA NA +PJ123200 STTLLLYW C49H73N9O13 995.5328 NA PeJP NA NA +PJ123201 SLKKKMMM C42H81N11O10S3 995.533 NA PeJP NA NA +PJ123202 DKKMRRY C42H73N15O11S 995.5335 NA PeJP NA NA +PJ123203 AAPPLRWW C50H69N13O9 995.5342 NA PeJP NA NA +PJ123204 SLLLKEMY C46H77N9O13S 995.5362 NA PeJP NA NA +PJ123205 DKEHRRR C39H69N19O12 995.5374 NA PeJP NA NA +PJ123206 CLKKRYW C47H73N13O9S 995.5375 NA PeJP NA NA +PJ123207 ATTKKERY C43H73N13O14 995.54 NA PeJP NA NA +PJ123208 GAPPLKEER C43H73N13O14 995.5401 NA PeJP NA NA +PJ123209 GVKKMMFR C44H77N13O9S2 995.5409 NA PeJP NA NA +PJ123210 PPERRRW C44H69N17O10 995.5414 NA PeJP NA NA +PJ123211 SSSTCKKKK C40H77N13O14S 995.5434 NA PeJP NA NA +PJ123212 SPTILFRY C48H73N11O12 995.544 NA PeJP NA NA +MJ099236 Micropeptin SF995 C48H73N11O12 995.544016 NA MeJP NA NA +PJ123213 GTTLKKYW C48H73N11O12 995.5441 NA PeJP NA NA +PJ123214 CCKKKKKM C41H81N13O9S3 995.5443 NA PeJP NA NA +PJ123215 SKMRRRY C41H73N17O10S 995.5447 NA PeJP NA NA +PJ123216 SPPPMRRR C41H73N17O10S 995.5448 NA PeJP NA NA +PJ123217 PPVRRWW C49H69N15O8 995.5454 NA PeJP NA NA +PJ123218 STLLLMRY C45H77N11O12S 995.5474 NA PeJP NA NA +PJ123219 GGGAAPPLLLM C45H77N11O12S 995.5475 NA PeJP NA NA +PJ123220 AALLLFYW C53H73N9O10 995.5481 NA PeJP NA NA +PJ123221 SEHRRRR C38H69N21O11 995.5486 NA PeJP NA NA +PJ123222 SSSLKRRY C42H73N15O13 995.5513 NA PeJP NA NA +PJ123223 PVVLKMFY C50H77N9O10S 995.5515 NA PeJP NA NA +PJ123224 KKMMFRR C43H77N15O8S2 995.5521 NA PeJP NA NA +PJ123225 SVHRRRW C43H69N19O9 995.5526 NA PeJP NA NA +PJ123226 SSSTLLLLY C46H77N9O15 995.5539 NA PeJP NA NA +PJ123227 SPPVLLLEE C46H77N9O15 995.554 NA PeJP NA NA +PJ123228 VVLLKMMY C47H81N9O10S2 995.5548 NA PeJP NA NA +PJ123229 APPLKERW C47H73N13O11 995.5553 NA PeJP NA NA +PJ123230 LQMHRRR C40H73N19O9S 995.556 NA PeJP NA NA +PJ123231 GTLKKMRY C44H77N13O11S 995.5587 NA PeJP NA NA +PJ123232 GPPLLKWW C52H73N11O9 995.5593 NA PeJP NA NA +PJ123233 SPPVERRR C41H73N17O12 995.5625 NA PeJP NA NA +PJ123234 LKKKMYW C49H77N11O9S 995.5627 NA PeJP NA NA +PJ123235 STLKKKEY C45H77N11O14 995.5652 NA PeJP NA NA +PJ123236 ALKKKMMF C46H81N11O9S2 995.5661 NA PeJP NA NA +PJ123237 APPTLRRW C46H73N15O10 995.5665 NA PeJP NA NA +PJ123238 CLHRRRR C39H73N21O8S 995.5672 NA PeJP NA NA +PJ123239 SPLLLKYY C50H77N9O12 995.5692 NA PeJP NA NA +PJ123240 PPVLQMRR C43H77N15O10S 995.5699 NA PeJP NA NA +PJ123241 VLKKHWW C51H73N13O8 995.5706 NA PeJP NA NA +PJ123242 APPLLLLEM C47H81N9O12S 995.5726 NA PeJP NA NA +PJ123243 GTTLHRRR C40H73N19O11 995.5737 NA PeJP NA NA +PJ123244 GGGPLQRRR C40H73N19O11 995.5738 NA PeJP NA NA +PJ123245 STTLKKRY C44H77N13O13 995.5764 NA PeJP NA NA +PJ123246 GGGGGGAPLLLK C44H77N13O13 995.5765 NA PeJP NA NA +PJ123247 TLKHRRW C45H73N17O9 995.5778 NA PeJP NA NA +PJ123248 TTLLLLHW C49H77N11O11 995.5804 NA PeJP NA NA +PJ123249 PPVLKKEW C49H77N11O11 995.5805 NA PeJP NA NA +PJ123250 APPLMRRR C42H77N17O9S 995.5811 NA PeJP NA NA +PJ123251 SVLKKKMY C46H81N11O11S 995.5838 NA PeJP NA NA +PJ123252 PVVLKFFF C54H77N9O9 995.5845 NA PeJP NA NA +PJ123253 PQQRRRR C39H73N21O10 995.585 NA PeJP NA NA +PJ123254 PPTLKERR C43H77N15O12 995.5877 NA PeJP NA NA +PJ123255 VVLLKMFF C51H81N9O9S 995.5878 NA PeJP NA NA +PJ123256 PKHFRRR C44H73N19O8 995.589 NA PeJP NA NA +PJ123257 APVLLLLEE C47H81N9O14 995.5903 NA PeJP NA NA +PJ123258 GPLLLLLEE C47H81N9O14 995.5904 NA PeJP NA NA +PJ123259 SPPLLKRW C48H77N13O10 995.5917 NA PeJP NA NA +PJ123260 LKMHRRR C41H77N19O8S 995.5924 NA PeJP NA NA +PJ123261 ACKKKKKY C45H81N13O10S 995.5951 NA PeJP NA NA +PJ123262 LKKKFFW C53H77N11O8 995.5957 NA PeJP NA NA +PJ123263 GPLLERRR C42H77N17O11 995.5989 NA PeJP NA NA +PJ123264 SSTLLLLLH C46H81N11O13 995.6016 NA PeJP NA NA +PJ123265 GPVLLRRW C47H77N15O9 995.6029 NA PeJP NA NA +PJ123266 PLLLLLEW C51H81N9O11 995.6056 NA PeJP NA NA +PJ123267 PPVLKMRR C44H81N15O9S 995.6063 NA PeJP NA NA +PJ123268 SPPLLLLLM C48H85N9O11S 995.609 NA PeJP NA NA +PJ123269 GPVQKRRR C41H77N19O10 995.6101 NA PeJP NA NA +PJ123270 SSKKKKKY C45H81N13O12 995.6128 NA PeJP NA NA +PJ123271 PLLRRRW C46H77N17O8 995.6142 NA PeJP NA NA +PJ123272 PVLLLQKW C50H81N11O10 995.6168 NA PeJP NA NA +PJ123273 GPPLLLKKM C47H85N11O10S 995.6202 NA PeJP NA NA +PJ123274 PQKRRRR C40H77N21O9 995.6214 NA PeJP NA NA +PJ123275 PTLLLQRR C44H81N15O11 995.624 NA PeJP NA NA +PJ123276 PVVLKERR C44H81N15O11 995.6241 NA PeJP NA NA +PJ123277 SPVLLLLLE C48H85N9O13 995.6267 NA PeJP NA NA +PJ123278 APLLLKRW C49H81N13O9 995.6281 NA PeJP NA NA +PJ123279 VLLKKKMH C46H85N13O9S 995.6314 NA PeJP NA NA +PJ123280 SPVLLRRR C43H81N17O10 995.6353 NA PeJP NA NA +PJ123281 GPVLLLKKE C47H85N11O12 995.638 NA PeJP NA NA +PJ123282 APPLLLLLF C52H85N9O10 995.642 NA PeJP NA NA +PJ123283 APLLLLLLM C49H89N9O10S 995.6454 NA PeJP NA NA +PJ123284 GPVKKRRR C42H81N19O9 995.6465 NA PeJP NA NA +PJ123285 PLLLKKER C46H85N13O11 995.6492 NA PeJP NA NA +PJ123286 PVLLLKKW C51H85N11O9 995.6532 NA PeJP NA NA +PJ123287 PKKRRRR C41H81N21O8 995.6578 NA PeJP NA NA +PJ123288 PTLLLKRR C45H85N15O10 995.6604 NA PeJP NA NA +PJ123289 GLLLLLLLE C49H89N9O12 995.6631 NA PeJP NA NA +PJ123290 GLLLLRRR C44H85N17O9 995.6717 NA PeJP NA NA +PJ123291 SPVVLLLKK C48H89N11O11 995.6743 NA PeJP NA NA +PJ123292 APTLLLLKK C48H89N11O11 995.6744 NA PeJP NA NA +PJ123293 LLLLLLLW C53H89N9O9 995.6784 NA PeJP NA NA +PJ123294 LLLLLQKR C47H89N13O10 995.6856 NA PeJP NA NA +PJ123295 VVLLLKRR C46H89N15O9 995.6968 NA PeJP NA NA +PJ123296 SVLLLLLLL C50H93N9O11 995.6995 NA PeJP NA NA +PJ123297 GVLLLLLKK C49H93N11O10 995.7107 NA PeJP NA NA +PJ123298 LLLLLKKR C48H93N13O9 995.722 NA PeJP NA NA +MJ099237 Aplysinellin B C31H27Br3N4O13S3 995.828686 NA MeJP NA NA +HMDB01282 Diadenosine hexaphosphate C20H30N10O25P6 995.980896 NA HMDB2010 NA NA +HMDB01282 Diadenosine hexaphosphate C20H30N10O25P6 995.98096 http://www.hmdb.ca/metabolites/HMDB01282 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01282 Diadenosine hexaphosphate C20H30N10O25P6 995.98096 http://www.hmdb.ca/metabolites/HMDB01282 HMDB NA NA +HMDB01282 Diadenosine hexaphosphate C20H30N10O25P6 995.98096 http://www.hmdb.ca/metabolites/HMDB01282 PFEM_hmdb_metabocards_blood NA blood +HMDB01282 Diadenosine hexaphosphate C20H30N10O25P6 995.98096 HMDB01282 PFEM_hmdb_metabocards_official NA NA +PJ123299 GPCCCCCCCC C31H52N10O11S8 996.1583 NA PeJP NA NA +PJ123300 CCCCCCNDM C31H52N10O13S7 996.1761 NA PeJP NA NA +PJ123301 ACCCCCCCW C35H52N10O10S7 996.1913 NA PeJP NA NA +PJ123302 GSSCCCCCCE C31H52N10O15S6 996.1938 NA PeJP NA NA +PJ123303 SSCCCCCCW C35H52N10O12S6 996.2091 NA PeJP NA NA +PJ123304 SSSSCCCCCD C31H52N10O17S5 996.2116 NA PeJP NA NA +PJ123305 SCCCCCNMM C32H56N10O12S7 996.2124 NA PeJP NA NA +PJ123306 GGSCCCCCMM C32H56N10O12S7 996.2125 NA PeJP NA NA +PJ123307 TCCCCCCCR C31H56N12O11S7 996.2237 NA PeJP NA NA +PJ123308 GCCCCCNEY C35H52N10O14S5 996.2268 NA PeJP NA NA +PJ123309 GSSTCCCCCM C32H56N10O14S6 996.2302 NA PeJP NA NA +PJ123310 PCCCCCNDH C34H52N12O13S5 996.2381 NA PeJP NA NA +PJ123311 CCCCCNYW C39H52N10O11S5 996.2421 NA PeJP NA NA +PJ123312 SSCCCCNDY C35H52N10O16S4 996.2446 NA PeJP NA NA +PJ123313 GCCCCCQMF C36H56N10O11S6 996.2455 NA PeJP NA NA +PJ123314 SSSSSCCCCM C32H56N10O16S5 996.248 NA PeJP NA NA +PJ123315 TCCCCCCKM C33H60N10O11S7 996.2488 NA PeJP NA NA +PJ123316 CCCDEMMY C37H56N8O14S5 996.252 NA PeJP NA NA +PJ123317 GCCCNDDMH C34H52N12O15S4 996.2558 NA PeJP NA NA +PJ123318 GGGCCCDDMH C34H52N12O15S4 996.2559 NA PeJP NA NA +PJ123319 GCCCCCCFR C35H56N12O10S6 996.2567 NA PeJP NA NA +PJ123320 GCNDDDDDE C34H48N10O23S 996.2615 NA PeJP NA NA +PJ123321 GSCCCCQMY C36H56N10O13S5 996.2632 NA PeJP NA NA +PJ123322 CCCDDEFY C40H52N8O16S3 996.2664 NA PeJP NA NA +PJ123323 SCCCCNNNH C33H52N14O14S4 996.2671 NA PeJP NA NA +PJ123324 CCCEMMMF C38H60N8O11S6 996.2706 NA PeJP NA NA +PJ123325 CCCCNEHW C38H52N12O12S4 996.2711 NA PeJP NA NA +PJ123326 SSCCCNDEH C34H52N12O17S3 996.2736 NA PeJP NA NA +PJ123327 GSCCCCCRY C35H56N12O12S5 996.2745 NA PeJP NA NA +PJ123328 CNDDDDDW C38H48N10O20S 996.2768 NA PeJP NA NA +PJ123329 CCCNNDYY C39H52N10O15S3 996.2776 NA PeJP NA NA +PJ123330 SSNDDDDDD C34H48N10O25 996.2793 NA PeJP NA NA +PJ123331 SPCCNDDDE C35H52N10O20S2 996.2801 NA PeJP NA NA +PJ123332 SSSCCCNMY C36H56N10O15S4 996.281 NA PeJP NA NA +PJ123333 GCCCCCKMF C37H60N10O10S6 996.2819 NA PeJP NA NA +PJ123334 SCCDDEYY C40H52N8O18S2 996.2841 NA PeJP NA NA +PJ123335 PCCCDMYY C41H56N8O13S4 996.285 NA PeJP NA NA +PJ123336 GCCCCHWW C42H52N12O9S4 996.2864 NA PeJP NA NA +PJ123337 CDDEEEEE C36H52N8O23S 996.2866 NA PeJP NA NA +PJ123338 DDDDEEEM C36H52N8O23S 996.2867 NA PeJP NA NA +PJ123339 SCCEMMMY C38H60N8O13S5 996.2884 NA PeJP NA NA +PJ123340 GSSCCCDHW C38H52N12O14S3 996.2889 NA PeJP NA NA +MJ099238 Sucrose; 1',3',6'-Tris-O-(4-hydroxy-3-methoxycinnamoyl)(E,E,E-), 2,4,6-tri-Ac C48H52O23 996.289937 NA MeJP NA NA +PJ123341 GCCNNDDQE C34H52N12O19S2 996.2913 NA PeJP NA NA +PJ123342 GSSSSCCDDH C34H52N12O19S2 996.2914 NA PeJP NA NA +PJ123343 GSCCNDMMH C35H56N12O14S4 996.2922 NA PeJP NA NA +PJ123344 GSPCCDDDW C39H52N10O17S2 996.2954 NA PeJP NA NA +PJ123345 APPCCCCDW C40H56N10O12S4 996.2962 NA PeJP NA NA +PJ123346 GPPCCCCEW C40H56N10O12S4 996.2963 NA PeJP NA NA +PJ123347 GSNDDDDEM C35H52N10O22S 996.2979 NA PeJP NA NA +PJ123348 GSSSSTCCCY C36H56N10O17S3 996.2987 NA PeJP NA NA +PJ123349 GPCNDDDMM C36H56N10O17S3 996.2988 NA PeJP NA NA +PJ123350 GSCCCCKMY C37H60N10O12S5 996.2996 NA PeJP NA NA +PJ123351 CCDDMHHH C37H52N14O13S3 996.3001 NA PeJP NA NA +PJ123352 SCCNNNNND C33H52N14O18S2 996.3026 NA PeJP NA NA +PJ123353 GCDDMMYY C41H56N8O15S3 996.3028 NA PeJP NA NA +PJ123354 GSCCCCEHR C34H56N14O13S4 996.3035 NA PeJP NA NA +PJ123355 PCCCMMFY C42H60N8O10S5 996.3036 NA PeJP NA NA +PJ123356 DDDDDEHH C37H48N12O21 996.3058 NA PeJP NA NA +PJ123357 CCNNNDEW C38H52N12O16S2 996.3066 NA PeJP NA NA +PJ123358 GCMMMMMY C39H64N8O10S6 996.307 NA PeJP NA NA +PJ123359 SCCCQMHW C39H56N12O11S4 996.3075 NA PeJP NA NA +PJ123360 GSCDDDDDR C34H52N12O21S 996.3091 NA PeJP NA NA +PJ123361 GPCCCDDER C35H56N12O16S3 996.31 NA PeJP NA NA +PJ123362 CCNQMMMH C36H60N12O11S5 996.3108 NA PeJP NA NA +PJ123363 GGCCQMMMH C36H60N12O11S5 996.3109 NA PeJP NA NA +MJ099239 Parishin C45H56O25 996.311067 NA MeJP NA NA +PJ123364 GSCCCNHHH C36H52N16O12S3 996.3113 NA PeJP NA NA +PJ123365 PPCCCCWW C44H56N10O9S4 996.3115 NA PeJP NA NA +PJ123366 SNDDDDMW C39H52N10O19S 996.3131 NA PeJP NA NA +PJ123367 GGGPCDDDDF C39H52N10O19S 996.3132 NA PeJP NA NA +PJ123368 PCCNDEMW C40H56N10O14S3 996.314 NA PeJP NA NA +PJ123369 SSSNDDDEE C35H52N10O24 996.3156 NA PeJP NA NA +PJ123370 SSSSSSSCCY C36H56N10O19S2 996.3165 NA PeJP NA NA +PJ123371 GCDDDFYY C44H52N8O17S 996.3172 NA PeJP NA NA +PJ123372 SSTCCCCKY C37H60N10O14S4 996.3174 NA PeJP NA NA +PJ123373 GPCCNDDHH C37H52N14O15S2 996.3179 NA PeJP NA NA +PJ123374 CCEMYYW C45H56N8O12S3 996.318 NA PeJP NA NA +PJ123375 SCCCCHRW C38H56N14O10S4 996.3187 NA PeJP NA NA +PJ123376 PDDDDEEY C40H52N8O22 996.3197 NA PeJP NA NA +PJ123377 SSCDEMYY C41H56N8O17S2 996.3205 NA PeJP NA NA +PJ123378 SSSCCCDHR C34H56N14O15S3 996.3212 NA PeJP NA NA +PJ123379 GGGGGGGGGGACCM C34H56N14O15S3 996.3213 NA PeJP NA NA +PJ123380 SPCCMMYY C42H60N8O12S4 996.3214 NA PeJP NA NA +PJ123381 GCCNNDWW C42H52N12O13S2 996.3219 NA PeJP NA NA +PJ123382 CCCNMMHR C35H60N14O10S5 996.3221 NA PeJP NA NA +PJ123383 SDEEEEEM C37H56N8O22S 996.323 NA PeJP NA NA +PJ123384 PDDEEMMM C38H60N8O17S3 996.3239 NA PeJP NA NA +PJ123385 GSSCNNDDW C38H52N12O18S 996.3244 NA PeJP NA NA +PJ123386 STCMMMMY C39H64N8O12S5 996.3248 NA PeJP NA NA +PJ123387 PCCCDDRW C39H56N12O13S3 996.3252 NA PeJP NA NA +PJ123388 GGGGCCEMHF C39H56N12O13S3 996.3253 NA PeJP NA NA +PJ123389 GSSSSNNDDD C34H52N12O23 996.3269 NA PeJP NA NA +PJ123390 CNDDDEMR C35H56N12O18S2 996.3277 NA PeJP NA NA +PJ123391 GGCDDDEMR C35H56N12O18S2 996.3278 NA PeJP NA NA +PJ123392 GSCDDEWW C43H52N10O16S 996.3284 NA PeJP NA NA +PJ123393 SPPCCCCER C36H60N12O13S4 996.3286 NA PeJP NA NA +PJ123394 GPCCDMWW C44H56N10O11S3 996.3293 NA PeJP NA NA +PJ123395 GSSSDDDEW C39H52N10O21 996.3309 NA PeJP NA NA +PJ123396 GSSSCCQYY C40H56N10O16S2 996.3317 NA PeJP NA NA +PJ123397 GNDDEMMW C40H56N10O16S2 996.3318 NA PeJP NA NA +PJ123398 GCCCNNNNR C33H56N16O14S3 996.3324 NA PeJP NA NA +PJ123399 GGGCCCNNNR C33H56N16O14S3 996.3325 NA PeJP NA NA +PJ123400 GPPTCCCMW C41H60N10O11S4 996.3326 NA PeJP NA NA +PJ123401 GSSNDEEEM C36H56N10O21S 996.3343 NA PeJP NA NA +PJ123402 GSDDDYYY C44H52N8O19 996.3349 NA PeJP NA NA +PJ123403 GSPNDDMMM C37H60N10O16S3 996.3351 NA PeJP NA NA +PJ123404 NNDDDMHH C37H52N14O17S 996.3356 NA PeJP NA NA +PJ123405 GPCCEYYY C45H56N8O14S2 996.3358 NA PeJP NA NA +PJ123406 GEMMMMMH C38H64N10O11S5 996.336 NA PeJP NA NA +PJ123407 CCCNDHFR C38H56N14O12S3 996.3365 NA PeJP NA NA +PJ123408 PCCCMFFF C46H60N8O9S4 996.3367 NA PeJP NA NA +PJ123409 PDDDEEMF C41H56N8O19S 996.3383 NA PeJP NA NA +PJ123410 CCDDDDRR C34H56N14O17S2 996.339 NA PeJP NA NA +PJ123411 GSDMMMYY C42H60N8O14S3 996.3391 NA PeJP NA NA +PJ123412 GSTCCCMHR C35H60N14O12S4 996.3398 NA PeJP NA NA +PJ123413 GGGPCCCNMR C35H60N14O12S4 996.3399 NA PeJP NA NA +PJ123414 GCMMMMFF C43H64N8O9S5 996.34 NA PeJP NA NA +PJ123415 GCCNMHFW C43H56N12O10S3 996.3405 NA PeJP NA NA +PJ123416 AEEEEEMM C38H60N8O19S2 996.3417 NA PeJP NA NA +PJ123417 NNNNDDEY C38H52N12O20 996.3421 NA PeJP NA NA +PJ123418 GGGGGGGGDDEY C38H52N12O20 996.3422 NA PeJP NA NA +PJ123419 GCDDDMRW C39H56N12O15S2 996.343 NA PeJP NA NA +PJ123420 SCDDWWW C47H52N10O13S 996.3436 NA PeJP NA NA +PJ123421 SCCCKMHW C40H60N12O10S4 996.3439 NA PeJP NA NA +PJ123422 GSSDDDDMR C35H56N12O20S 996.3455 NA PeJP NA NA +PJ123423 SSSDDDWW C43H52N10O18 996.3461 NA PeJP NA NA +PJ123424 GNDDDEFW C43H52N10O18 996.3462 NA PeJP NA NA +PJ123425 GSPCCDEMR C36H60N12O15S3 996.3464 NA PeJP NA NA +PJ123426 GSCNNNDHH C36H52N16O16S 996.3468 NA PeJP NA NA +PJ123427 GGGGGGGSCDHH C36H52N16O16S 996.3469 NA PeJP NA NA +PJ123428 NDDMMWW C44H56N10O13S2 996.347 NA PeJP NA NA +PJ123429 GPPCCCMMR C37H64N12O10S5 996.3472 NA PeJP NA NA +PJ123430 SSNDEEMW C40H56N10O18S 996.3495 NA PeJP NA NA +PJ123431 SPCNEMMW C41H60N10O13S3 996.3504 NA PeJP NA NA +PJ123432 GCNDEHHW C41H52N14O14S 996.3509 NA PeJP NA NA +PJ123433 PCCYYYW C49H56N8O11S2 996.351 NA PeJP NA NA +PJ123434 MMMMMHW C42H64N10O8S5 996.3513 NA PeJP NA NA +PJ123435 SSSSNEEEE C36H56N10O23 996.352 NA PeJP NA NA +PJ123436 SNQEEEMM C37H60N10O18S2 996.3529 NA PeJP NA NA +PJ123437 GSSNDDEHH C37H52N14O19 996.3534 NA PeJP NA NA +PJ123438 NDEMYYY C45H56N8O16S 996.3535 NA PeJP NA NA +PJ123439 SSPPCNMMM C38H64N10O13S4 996.3537 NA PeJP NA NA +PJ123440 STEMMMMH C38H64N10O13S4 996.3538 NA PeJP NA NA +PJ123441 SCCNNDRW C38H56N14O14S2 996.3542 NA PeJP NA NA +PJ123442 TCMMYYW C46H60N8O11S3 996.3544 NA PeJP NA NA +PJ123443 ACMMMHHH C39H60N14O9S4 996.3551 NA PeJP NA NA +PJ123444 SCCHHHHH C39H52N18O10S2 996.3556 NA PeJP NA NA +PJ123445 SPDEEEEY C41H56N8O21 996.356 NA PeJP NA NA +PJ123446 ADEEEEEF C41H56N8O21 996.3561 NA PeJP NA NA +PJ123447 SSSCNNDDR C34H56N14O19S 996.3567 NA PeJP NA NA +PJ123448 GGGGGGGGGSSSTC C34H56N14O19S 996.3568 NA PeJP NA NA +PJ123449 SSSEMMYY C42H60N8O16S2 996.3569 NA PeJP NA NA +PJ123450 GNNNDDYW C42H52N12O17 996.3574 NA PeJP NA NA +PJ123451 SSSSCCMHR C35H60N14O14S3 996.3576 NA PeJP NA NA +PJ123452 QMMMMYY C43H64N8O11S4 996.3578 NA PeJP NA NA +PJ123453 CCDERWW C43H56N12O12S2 996.3582 NA PeJP NA NA +PJ123454 GGGGGSCMWW C43H56N12O12S2 996.3583 NA PeJP NA NA +PJ123455 TTEEEEEM C38H60N8O21S 996.3594 NA PeJP NA NA +PJ123456 PTEEEMMM C39H64N8O16S3 996.3603 NA PeJP NA NA +PJ123457 GSSSNNDMW C39H56N12O17S 996.3607 NA PeJP NA NA +PJ123458 SSCDDERW C39H56N12O17S 996.3608 NA PeJP NA NA +PJ123459 PPEMMMMM C40H68N8O11S5 996.3612 NA PeJP NA NA +PJ123460 NDDDFWW C47H52N10O15 996.3614 NA PeJP NA NA +PJ123461 SPCCDMRW C40H60N12O12S3 996.3616 NA PeJP NA NA +PJ123462 PCDDHHHH C40H52N16O13S 996.3621 NA PeJP NA NA +PJ123463 GCEMWWW C48H56N10O10S2 996.3623 NA PeJP NA NA +PJ123464 SSSSDDDER C35H56N12O22 996.3632 NA PeJP NA NA +PJ123465 SSSTDDDDR C35H56N12O22 996.3633 NA PeJP NA NA +PJ123466 SNDDEMMR C36H60N12O17S2 996.3641 NA PeJP NA NA +PJ123467 GSSDEMWW C44H56N10O15S 996.3648 NA PeJP NA NA +PJ123468 PCNDMMMR C37H64N12O12S4 996.365 NA PeJP NA NA +PJ123469 CNNNQMHH C37H56N16O13S2 996.3655 NA PeJP NA NA +PJ123470 GSPCMMWW C45H60N10O10S3 996.3656 NA PeJP NA NA +PJ123471 AAPPCCCFW C45H60N10O10S3 996.3657 NA PeJP NA NA +PJ123472 CNDHHWW C45H52N14O11S 996.3661 NA PeJP NA NA +PJ123473 GSSSSEEEW C40H56N10O20 996.3673 NA PeJP NA NA +PJ123474 GSQEEMMW C41H60N10O15S2 996.3681 NA PeJP NA NA +PJ123475 GDDDKMMW C41H60N10O15S2 996.3682 NA PeJP NA NA +PJ123476 SSNDDHHW C41H52N14O16 996.3686 NA PeJP NA NA +PJ123477 GDMYYYW C49H56N8O13S 996.3688 NA PeJP NA NA +PJ123478 GGGGCCCERR C34H60N16O13S3 996.3689 NA PeJP NA NA +PJ123479 GPNMMMMW C42H64N10O10S4 996.369 NA PeJP NA NA +PJ123480 SPCCQHHW C42H56N14O11S2 996.3695 NA PeJP NA NA +PJ123481 GSSTQEEEM C37H60N10O20S 996.3706 NA PeJP NA NA +PJ123482 GGGSTTEEEM C37H60N10O20S 996.3707 NA PeJP NA NA +PJ123483 EEEEEFW C45H56N8O18 996.3713 NA PeJP NA NA +PJ123484 AQQEEMMM C38H64N10O15S3 996.3715 NA PeJP NA NA +PJ123485 NNNNNNMY C38H56N14O16S 996.372 NA PeJP NA NA +PJ123486 GPTCMYYY C46H60N8O13S2 996.3722 NA PeJP NA NA +PJ123487 SVMMMMMH C39H68N10O10S5 996.3724 NA PeJP NA NA +PJ123488 ACCNNMRW C39H60N14O11S3 996.3728 NA PeJP NA NA +PJ123489 GCCNQMRW C39H60N14O11S3 996.3729 NA PeJP NA NA +PJ123490 GCCHHFFF C47H56N12O9S2 996.3735 NA PeJP NA NA +PJ123491 SSSSSSNNNN C34H56N14O21 996.3745 NA PeJP NA NA +PJ123492 APEEEEMY C42H60N8O18S 996.3747 NA PeJP NA NA +PJ123493 ASSCCNQER C35H60N14O16S2 996.3753 NA PeJP NA NA +PJ123494 SCDDDMRR C35H60N14O16S2 996.3754 NA PeJP NA NA +PJ123495 GTTMMMYY C43H64N8O13S3 996.3755 NA PeJP NA NA +PJ123496 SSSCNQWW C43H56N12O14S 996.376 NA PeJP NA NA +PJ123497 PCCCEMRR C36H64N14O11S4 996.3762 NA PeJP NA NA +PJ123498 CCNNNHHR C36H56N18O12S2 996.3767 NA PeJP NA NA +PJ123499 ACCCKHFW C44H60N12O9S3 996.3769 NA PeJP NA NA +PJ123500 CMWWWW C52H56N10O7S2 996.3775 NA PeJP NA NA +MJ099240 Thielocin A1? C54H60O18 996.377965 NA MeJP NA NA +PJ123501 SLEEEEMM C39H64N8O18S2 996.378 NA PeJP NA NA +PJ123502 SSSSSNNEW C39H56N12O19 996.3785 NA PeJP NA NA +PJ123503 PVEEMMMM C40H68N8O13S4 996.3789 NA PeJP NA NA +PJ123504 GSDDMMRW C40H60N12O14S2 996.3794 NA PeJP NA NA +PJ123505 GDEEHHHH C40H52N16O15 996.3799 NA PeJP NA NA +PJ123506 SSDMWWW C48H56N10O12S 996.38 NA PeJP NA NA +PJ123507 APCCMMRW C41H64N12O9S4 996.3802 NA PeJP NA NA +PJ123508 PVCCCMRW C41H64N12O9S4 996.3803 NA PeJP NA NA +PJ123509 GSSSDEEMR C36H60N12O19S 996.3819 NA PeJP NA NA +PJ123510 SSSSEEWW C44H56N10O17 996.3825 NA PeJP NA NA +PJ123511 GGGGPDDEFF C44H56N10O17 996.3826 NA PeJP NA NA +PJ123512 ANDEMMMR C37H64N12O14S3 996.3827 NA PeJP NA NA +PJ123513 GNEEMMMR C37H64N12O14S3 996.3828 NA PeJP NA NA +PJ123514 SCNDEHHR C37H56N16O15S 996.3832 NA PeJP NA NA +PJ123515 GGGGGGGGGPCQH C37H56N16O15S 996.3833 NA PeJP NA NA +PJ123516 SQEMMWW C45H60N10O12S2 996.3834 NA PeJP NA NA +PJ123517 GCCCNRRW C38H60N16O10S3 996.3841 NA PeJP NA NA +PJ123518 CMHHHFW C46H56N14O8S2 996.3847 NA PeJP NA NA +PJ123519 SSTQEEMW C41H60N10O17S 996.3859 NA PeJP NA NA +PJ123520 SSEYYYW C49H56N8O15 996.3865 NA PeJP NA NA +PJ123521 GGDEFFYY C49H56N8O15 996.3866 NA PeJP NA NA +PJ123522 AAQEMMMW C42H64N10O12S3 996.3868 NA PeJP NA NA +PJ123523 GSNEMHHW C42H56N14O13S 996.3872 NA PeJP NA NA +PJ123524 GCDDKHHW C42H56N14O13S 996.3873 NA PeJP NA NA +PJ123525 GMMFYYW C50H60N8O10S2 996.3874 NA PeJP NA NA +PJ123526 SSSSDKEEE C37H60N10O22 996.3884 NA PeJP NA NA +PJ123527 SNKEEEMM C38H64N10O17S2 996.3893 NA PeJP NA NA +PJ123528 SNNNDDRY C38H56N14O18 996.3897 NA PeJP NA NA +PJ123529 GGGGSNDDRY C38H56N14O18 996.3898 NA PeJP NA NA +PJ123530 TQEMYYY C46H60N8O15S 996.3899 NA PeJP NA NA +PJ123531 PNDKMMMM C39H68N10O12S4 996.3901 NA PeJP NA NA +PJ123532 GGPDKMMMM C39H68N10O12S4 996.3902 NA PeJP NA NA +PJ123533 YYYYYY C54H56N6O13 996.3905 NA PeJP NA NA +PJ123534 SSCNNMRW C39H60N14O13S2 996.3906 NA PeJP NA NA +PJ123535 QMMMFFY C47H64N8O10S3 996.3908 NA PeJP NA NA +PJ123536 SNNDHHHH C39H52N18O14 996.3911 NA PeJP NA NA +PJ123537 CNQHFYW C47H56N12O11S 996.3912 NA PeJP NA NA +PJ123538 CNNQFWW C47H56N12O11S 996.3913 NA PeJP NA NA +PJ123539 GLEEEEEY C42H60N8O20 996.3924 NA PeJP NA NA +PJ123540 SSSSNNDMR C35H60N14O18S 996.3931 NA PeJP NA NA +PJ123541 STTTMMYY C43H64N8O15S2 996.3933 NA PeJP NA NA +PJ123542 GSSSSSNWW C43H56N12O16 996.3937 NA PeJP NA NA +PJ123543 GGGSSSSSWW C43H56N12O16 996.3938 NA PeJP NA NA +PJ123544 GCDEMMRR C36H64N14O13S3 996.394 NA PeJP NA NA +PJ123545 KMMMMYY C44H68N8O10S4 996.3942 NA PeJP NA NA +PJ123546 SCEMRWW C44H60N12O11S2 996.3946 NA PeJP NA NA +PJ123547 GGGGGMMHFF C44H60N12O11S2 996.3947 NA PeJP NA NA +PJ123548 DEHHHHW C44H52N16O12 996.3951 NA PeJP NA NA +PJ123549 GPCYWWW C52H56N10O9S 996.3953 NA PeJP NA NA +PJ123550 VVEEEMMM C40H68N8O15S3 996.3967 NA PeJP NA NA +PJ123551 SSSDEMRW C40H60N12O16S 996.3971 NA PeJP NA NA +PJ123552 GGGGGGVNEMY C40H60N12O16S 996.3972 NA PeJP NA NA +PJ123553 GQEEYWW C48H56N10O14 996.3978 NA PeJP NA NA +PJ123554 NEMMMRW C41H64N12O11S3 996.398 NA PeJP NA NA +PJ123555 GSCDHHRW C41H56N16O12S 996.3985 NA PeJP NA NA +PJ123556 GTMMWWW C49H60N10O9S2 996.3986 NA PeJP NA NA +PJ123557 ASMMWWW C49H60N10O9S2 996.3987 NA PeJP NA NA +PJ123558 SSSSSEEER C36H60N12O21 996.3996 NA PeJP NA NA +PJ123559 SSQEEMMR C37H64N12O16S2 996.4005 NA PeJP NA NA +PJ123560 GSSSDDHHR C37H56N16O17 996.401 NA PeJP NA NA +PJ123561 ASSTEMWW C45H60N10O14S 996.4011 NA PeJP NA NA +PJ123562 GSTTEMWW C45H60N10O14S 996.4012 NA PeJP NA NA +PJ123563 SPNMMMMR C38H68N12O11S4 996.4014 NA PeJP NA NA +PJ123564 GDFFYYW C53H56N8O12 996.4018 NA PeJP NA NA +PJ123565 GNDMMHHR C38H60N16O12S2 996.4019 NA PeJP NA NA +PJ123566 VNMMMWW C46H64N10O9S3 996.402 NA PeJP NA NA +PJ123567 SNMHHWW C46H56N14O10S 996.4025 NA PeJP NA NA +PJ123568 GSSTTTEEW C41H60N10O19 996.4036 NA PeJP NA NA +PJ123569 ASSSTTEEW C41H60N10O19 996.4037 NA PeJP NA NA +PJ123570 GSKEEMMW C42H64N10O14S2 996.4045 NA PeJP NA NA +PJ123571 GPDDDHRW C42H56N14O15 996.405 NA PeJP NA NA +PJ123572 ATMYYYW C50H60N8O12S 996.4052 NA PeJP NA NA +PJ123573 APCKMMMW C43H68N10O9S4 996.4054 NA PeJP NA NA +PJ123574 QQMMHHW C43H60N14O10S2 996.4059 NA PeJP NA NA +PJ123575 GSSTKEEEM C38H64N10O19S 996.407 NA PeJP NA NA +PJ123576 LEEEEYW C46H60N8O17 996.4077 NA PeJP NA NA +PJ123577 AQKEEMMM C39H68N10O14S3 996.4079 NA PeJP NA NA +PJ123578 GSSSSCQRW C39H60N14O15S 996.4084 NA PeJP NA NA +PJ123579 VQMMYYY C47H64N8O12S2 996.4085 NA PeJP NA NA +PJ123580 PPPDMMFY C47H64N8O12S2 996.4086 NA PeJP NA NA +PJ123581 GDDRYWW C47H56N12O13 996.409 NA PeJP NA NA +PJ123582 CDMMRRW C40H64N14O10S3 996.4092 NA PeJP NA NA +PJ123583 GGGCCKMRW C40H64N14O10S3 996.4093 NA PeJP NA NA +PJ123584 GNQMHHHH C40H56N18O11S 996.4097 NA PeJP NA NA +PJ123585 PCCFRWW C48H60N12O8S2 996.4099 NA PeJP NA NA +PJ123586 GSSSSSSNER C35H60N14O20 996.4109 NA PeJP NA NA +PJ123587 SPLEEEMY C43H64N8O17S 996.4111 NA PeJP NA NA +PJ123588 SSDDMMRR C36H64N14O15S2 996.4117 NA PeJP NA NA +PJ123589 GGGGGSSTMMR C36H64N14O15S2 996.4118 NA PeJP NA NA +PJ123590 PPVEMMMY C44H68N8O12S3 996.4119 NA PeJP NA NA +PJ123591 NNNNNDHR C36H56N18O16 996.4122 NA PeJP NA NA +PJ123592 GGGGGGGGGGDHR C36H56N18O16 996.4123 NA PeJP NA NA +PJ123593 SSSCNKWW C44H60N12O13S 996.4124 NA PeJP NA NA +PJ123594 PTCCMMRR C37H68N14O10S4 996.4126 NA PeJP NA NA +PJ123595 QEYWWW C52H56N10O11 996.413 NA PeJP NA NA +PJ123596 GCCEHHRR C37H60N18O11S2 996.4131 NA PeJP NA NA +PJ123597 GMMMRWW C45H64N12O8S3 996.4133 NA PeJP NA NA +PJ123598 SSSSSNDKW C40H60N12O18 996.4149 NA PeJP NA NA +PJ123599 GSTEMMRW C41H64N12O13S2 996.4158 NA PeJP NA NA +PJ123600 GNNNQQHW C41H56N16O14 996.4162 NA PeJP NA NA +PJ123601 GGGGGGGQQHW C41H56N16O14 996.4163 NA PeJP NA NA +PJ123602 STTMWWW C49H60N10O11S 996.4164 NA PeJP NA NA +PJ123603 SCCCNRRR C34H64N18O11S3 996.4165 NA PeJP NA NA +PJ123604 CQMHHRW C42H60N16O9S2 996.4171 NA PeJP NA NA +PJ123605 SSSSNQKEM C37H64N12O18S 996.4182 NA PeJP NA NA +PJ123606 GSSTTEEMR C37H64N12O18S 996.4183 NA PeJP NA NA +PJ123607 SSTTTEWW C45H60N10O16 996.4189 NA PeJP NA NA +PJ123608 GDKEMMMR C38H68N12O13S3 996.4191 NA PeJP NA NA +PJ123609 GGGGGATKMMM C38H68N12O13S3 996.4192 NA PeJP NA NA +PJ123610 GCNNDRRY C38H60N16O14S 996.4196 NA PeJP NA NA +PJ123611 SKEMMWW C46H64N10O11S2 996.4198 NA PeJP NA NA +PJ123612 NQEHHFW C46H56N14O12 996.4202 NA PeJP NA NA +MJ099241 Chromomycin A4 C48H68O22 996.420223 NA MeJP NA NA +PJ123613 GSSTHHWW C46H56N14O12 996.4203 NA PeJP NA NA +PJ123614 GMFFFYW C54H60N8O9S 996.4204 NA PeJP NA NA +PJ123615 GCNHHHHR C39H56N20O10S 996.421 NA PeJP NA NA +PJ123616 SSTKEEMW C42H64N10O16S 996.4223 NA PeJP NA NA +PJ123617 TTTYYYW C50H60N8O14 996.4229 NA PeJP NA NA +PJ123618 GSSSCNMRR C35H64N16O14S2 996.423 NA PeJP NA NA +PJ123619 AAKEMMMW C43H68N10O11S3 996.4232 NA PeJP NA NA +PJ123620 NNNMRYW C43H60N14O12S 996.4236 NA PeJP NA NA +PJ123621 GGGGGAAPMHW C43H60N14O12S 996.4237 NA PeJP NA NA +PJ123622 QMMFFFF C51H64N8O9S2 996.4238 NA PeJP NA NA +PJ123623 GPEHWWW C51H56N12O10 996.4243 NA PeJP NA NA +PJ123624 SSSTTKEEE C38H64N10O21 996.4248 NA PeJP NA NA +PJ123625 ASSTLQEMM C39H68N10O16S2 996.4256 NA PeJP NA NA +PJ123626 SDKKEEMM C39H68N10O16S2 996.4257 NA PeJP NA NA +PJ123627 SSSSSSNRW C39H60N14O17 996.4261 NA PeJP NA NA +PJ123628 GGGGGGGGGSSKY C39H60N14O17 996.4262 NA PeJP NA NA +PJ123629 TKEMYYY C47H64N8O14S 996.4263 NA PeJP NA NA +PJ123630 PTQKMMMM C40H72N10O11S4 996.4265 NA PeJP NA NA +PJ123631 SSCCQKRW C40H64N14O12S2 996.427 NA PeJP NA NA +PJ123632 KMMMFFY C48H68N8O9S3 996.4272 NA PeJP NA NA +PJ123633 SSQQHHHH C40H56N18O13 996.4275 NA PeJP NA NA +PJ123634 SPCRYWW C48H60N12O10S 996.4276 NA PeJP NA NA +PJ123635 GGCNKFWW C48H60N12O10S 996.4277 NA PeJP NA NA +PJ123636 AYWWWW C56H56N10O8 996.4283 NA PeJP NA NA +PJ123637 SVLEEEEY C43H64N8O19 996.4288 NA PeJP NA NA +PJ123638 SSSSSQQMR C36H64N14O17S 996.4295 NA PeJP NA NA +PJ123639 PVVEEMMY C44H68N8O14S2 996.4297 NA PeJP NA NA +PJ123640 SQEERYW C44H60N12O15 996.4301 NA PeJP NA NA +PJ123641 GGTEERYW C44H60N12O15 996.4302 NA PeJP NA NA +PJ123642 GSEMMMRR C37H68N14O12S3 996.4304 NA PeJP NA NA +PJ123643 PPLMMMMF C45H72N8O9S4 996.4306 NA PeJP NA NA +PJ123644 SSCDHHRR C37H60N18O13S 996.4308 NA PeJP NA NA +PJ123645 STMMRWW C45H64N12O10S2 996.431 NA PeJP NA NA +PJ123646 GPEHHHHF C45H56N16O11 996.4315 NA PeJP NA NA +PJ123647 AAMFWWW C53H60N10O8S 996.4317 NA PeJP NA NA +PJ123648 TLLEEMMM C41H72N8O14S3 996.4331 NA PeJP NA NA +PJ123649 SSTTEMRW C41H64N12O15S 996.4335 NA PeJP NA NA +PJ123650 GGGGGAAPPPEM C41H64N12O15S 996.4336 NA PeJP NA NA +PJ123651 PLLMMMMM C42H76N8O9S5 996.4339 NA PeJP NA NA +PJ123652 GKEEYWW C49H60N10O13 996.4342 NA PeJP NA NA +PJ123653 DKMMMRW C42H68N12O10S3 996.4344 NA PeJP NA NA +PJ123654 GSSMHHRW C42H60N16O11S 996.4349 NA PeJP NA NA +PJ123655 PCKMFWW C50H64N10O8S2 996.435 NA PeJP NA NA +PJ123656 GQHHFWW C50H56N14O9 996.4355 NA PeJP NA NA +PJ123657 SSSTTTEER C37H64N12O20 996.436 NA PeJP NA NA +PJ123658 SSKEEMMR C38H68N12O15S2 996.4369 NA PeJP NA NA +PJ123659 SNQQQQQH C38H60N16O16 996.4373 NA PeJP NA NA +PJ123660 SPDDDHRR C38H60N16O16 996.4374 NA PeJP NA NA +PJ123661 SSSTLMWW C46H64N10O13S 996.4375 NA PeJP NA NA +PJ123662 GGAALEMYW C46H64N10O13S 996.4376 NA PeJP NA NA +PJ123663 GLQMMMMR C39H72N12O10S4 996.4378 NA PeJP NA NA +PJ123664 GVFYYYW C54H60N8O11 996.4382 NA PeJP NA NA +PJ123665 GGGGGCMFRR C39H64N16O11S2 996.4383 NA PeJP NA NA +PJ123666 CLKMMWW C47H68N10O8S3 996.4384 NA PeJP NA NA +PJ123667 TCKHHWW C47H60N14O9S 996.4389 NA PeJP NA NA +PJ123668 PHWWWW C55H56N12O7 996.4395 NA PeJP NA NA +PJ123669 SSSSTTLEW C42H64N10O18 996.44 NA PeJP NA NA +PJ123670 GDKKEEEY C42H64N10O18 996.4401 NA PeJP NA NA +PJ123671 SSSSSCQRR C35H64N16O16S 996.4407 NA PeJP NA NA +PJ123672 ATTKEMMW C43H68N10O13S2 996.4409 NA PeJP NA NA +PJ123673 SDDRRYW C43H60N14O14 996.4414 NA PeJP NA NA +PJ123674 VQMFFYY C51H64N8O11S 996.4416 NA PeJP NA NA +PJ123675 APPCMHRW C44H64N14O9S2 996.4423 NA PeJP NA NA +PJ123676 SSSSLKEEM C39H68N10O18S 996.4434 NA PeJP NA NA +PJ123677 SSTTLYYY C47H64N8O16 996.444 NA PeJP NA NA +PJ123678 SPPLEEYY C47H64N8O16 996.4441 NA PeJP NA NA +PJ123679 AKKEEMMM C40H72N10O13S3 996.4443 NA PeJP NA NA +PJ123680 DQEMRRY C40H64N14O14S 996.4447 NA PeJP NA NA +PJ123681 GSSSSCKRW C40H64N14O14S 996.4448 NA PeJP NA NA +PJ123682 VKMMYYY C48H68N8O11S2 996.4449 NA PeJP NA NA +PJ123683 GTERYWW C48H60N12O12 996.4454 NA PeJP NA NA +PJ123684 SMMMRRW C41H68N14O9S3 996.4456 NA PeJP NA NA +PJ123685 PPCNHHHR C41H60N18O10S 996.4461 NA PeJP NA NA +PJ123686 PHHHHFW C49H56N16O8 996.4468 NA PeJP NA NA +PJ123687 GSSSSSTTQR C36H64N14O19 996.4472 NA PeJP NA NA +PJ123688 GSSSSSSDKR C36H64N14O19 996.4473 NA PeJP NA NA +PJ123689 ALLEEEMY C44H68N8O16S 996.4474 NA PeJP NA NA +PJ123690 SSTEMMRR C37H68N14O14S2 996.4481 NA PeJP NA NA +PJ123691 PVLEMMMF C45H72N8O11S3 996.4483 NA PeJP NA NA +PJ123692 GNNDEHRR C37H60N18O15 996.4486 NA PeJP NA NA +PJ123693 VNEMRYW C45H64N12O12S 996.4488 NA PeJP NA NA +PJ123694 AAMMMMRR C38H72N14O9S4 996.449 NA PeJP NA NA +PJ123695 KEYWWW C53H60N10O10 996.4494 NA PeJP NA NA +PJ123696 GTCMHHRR C38H64N18O10S2 996.4495 NA PeJP NA NA +PJ123697 LMHHHHW C46H60N16O8S 996.4501 NA PeJP NA NA +PJ123698 SSSSSTQKW C41H64N12O17 996.4513 NA PeJP NA NA +PJ123699 VLLEMMMM C42H76N8O11S4 996.4517 NA PeJP NA NA +PJ123700 SSSLMMRW C42H68N12O12S2 996.4521 NA PeJP NA NA +PJ123701 GGSTCKKMW C42H68N12O12S2 996.4522 NA PeJP NA NA +PJ123702 SSSTHHRW C42H60N16O13 996.4526 NA PeJP NA NA +PJ123703 GGGGGGGGAKHW C42H60N16O13 996.4527 NA PeJP NA NA +PJ123704 SPKMYWW C50H64N10O10S 996.4528 NA PeJP NA NA +PJ123705 CKMHHRW C43H64N16O8S2 996.4535 NA PeJP NA NA +PJ123706 GVHHHHHH C43H56N20O9 996.454 NA PeJP NA NA +PJ123707 SSSSTLEMR C38H68N12O17S 996.4546 NA PeJP NA NA +PJ123708 GGSSSSKKEM C38H68N12O17S 996.4547 NA PeJP NA NA +PJ123709 TTTTTTWW C46H64N10O15 996.4553 NA PeJP NA NA +PJ123710 ATKEMMMR C39H72N12O12S3 996.4555 NA PeJP NA NA +PJ123711 CDERRRY C39H64N16O13S 996.456 NA PeJP NA NA +PJ123712 AAPKMMYW C47H68N10O10S2 996.4562 NA PeJP NA NA +PJ123713 SPEHRWW C47H60N14O11 996.4566 NA PeJP NA NA +MJ099242 Spirosta-5,25(27)-diene-1,3,23,24-tetrol, 1-O-[2,3,4-Tri-O-acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] C49H72O21 996.456609 NA MeJP NA NA +PJ123714 GGGGLQHWW C47H60N14O11 996.4567 NA PeJP NA NA +PJ123715 GSSSSSSSRR C35H64N16O18 996.4585 NA PeJP NA NA +PJ123716 TTTTKEMW C43H68N10O15S 996.4587 NA PeJP NA NA +PJ123717 PTKYYYY C51H64N8O13 996.4593 NA PeJP NA NA +PJ123718 GSSTCCKRR C36H68N16O13S2 996.4594 NA PeJP NA NA +PJ123719 GTLKMMMW C44H72N10O10S3 996.4595 NA PeJP NA NA +PJ123720 GGPVKMMMF C44H72N10O10S3 996.4596 NA PeJP NA NA +PJ123721 GEMRRYW C44H64N14O11S 996.46 NA PeJP NA NA +PJ123722 KMMFFFF C52H68N8O8S2 996.4602 NA PeJP NA NA +PJ123723 TRYWWW C52H60N12O9 996.4607 NA PeJP NA NA +PJ123724 STTTTTKEE C39H68N10O20 996.4612 NA PeJP NA NA +PJ123725 TTKKEEMM C40H72N10O15S2 996.462 NA PeJP NA NA +PJ123726 GSTEERRY C40H64N14O16 996.4625 NA PeJP NA NA +PJ123727 GGGGGGGGAPPKE C40H64N14O16 996.4626 NA PeJP NA NA +PJ123728 PPVVEMYY C48H68N8O13S 996.4627 NA PeJP NA NA +PJ123729 PTKKMMMM C41H76N10O10S4 996.4629 NA PeJP NA NA +PJ123730 SSCCKKRW C41H68N14O11S2 996.4634 NA PeJP NA NA +PJ123731 NNDHRRW C41H60N18O12 996.4638 NA PeJP NA NA +PJ123732 GGNDHRRW C41H60N18O12 996.4639 NA PeJP NA NA +PJ123733 GVMRYWW C49H64N12O9S 996.464 NA PeJP NA NA +PJ123734 TTLLEEEY C44H68N8O18 996.4652 NA PeJP NA NA +PJ123735 SSSSSQKMR C37H68N14O16S 996.4659 NA PeJP NA NA +PJ123736 PTLLEMMY C45H72N8O13S2 996.4661 NA PeJP NA NA +PJ123737 SKEERYW C45H64N12O14 996.4665 NA PeJP NA NA +PJ123738 GGGLLEEHW C45H64N12O14 996.4666 NA PeJP NA NA +PJ123739 ATTMMMRR C38H72N14O11S3 996.4668 NA PeJP NA NA +PJ123740 SSSMHHRR C38H64N18O12S 996.4672 NA PeJP NA NA +PJ123741 VQMMFRW C46H68N12O9S2 996.4674 NA PeJP NA NA +PJ123742 GQQHRWW C46H60N16O10 996.4679 NA PeJP NA NA +3079 hemorphin-7 YPWTQRF 996.468 celiac toxic Inhouse_peptide NA peptide +PJ123743 TTTTTMRW C42H68N12O14S 996.4699 NA PeJP NA NA +PJ123744 SVKEYWW C50H64N10O12 996.4705 NA PeJP NA NA +PJ123745 VTDKYWW C50H64N10O12 996.4706 NA PeJP NA NA +PJ123746 ACCKKKMW C43H72N12O9S3 996.4708 NA PeJP NA NA +PJ123747 PDMHRRW C43H64N16O10S 996.4713 NA PeJP NA NA +PJ123748 GKHHFWW C51H60N14O8 996.4719 NA PeJP NA NA +PJ123749 STTTTTTER C38H68N12O19 996.4724 NA PeJP NA NA +PJ123750 TTTKEMMR C39H72N12O14S2 996.4733 NA PeJP NA NA +PJ123751 SSSNQRRY C39H64N16O15 996.4737 NA PeJP NA NA +PJ123752 GGGGSSTRRY C39H64N16O15 996.4738 NA PeJP NA NA +PJ123753 LQKEMYW C47H68N10O12S 996.4739 NA PeJP NA NA +PJ123754 AVKMMMMR C40H76N12O9S4 996.4741 NA PeJP NA NA +HMDB10036 PIP2(16:0/18:1(11Z)) C43H83O19P3 996.474121 NA HMDB2010 NA NA +HMDB10037 PIP2(16:0/18:1(9Z)) C43H83O19P3 996.474121 NA HMDB2010 NA NA +HMDB10053 PIP2(16:1(9Z)/18:0) C43H83O19P3 996.474121 NA HMDB2010 NA NA +HMDB10060 PIP2(18:0/16:1(9Z)) C43H83O19P3 996.474121 NA HMDB2010 NA NA +HMDB10072 PIP2(18:1(11Z)/16:0) C43H83O19P3 996.474121 NA HMDB2010 NA NA +HMDB10085 PIP2(18:1(9Z)/16:0) C43H83O19P3 996.474121 NA HMDB2010 NA NA +PJ123755 GLKMMMMR C40H76N12O9S4 996.4742 NA PeJP NA NA +PJ123756 VQFFFFY C55H64N8O10 996.4746 NA PeJP NA NA +PJ123757 MRRYWW C48H64N14O8S 996.4753 NA PeJP NA NA +PJ123758 SSTTTTTLW C43H68N10O17 996.4764 NA PeJP NA NA +PJ123759 GGGPPLLEEE C43H68N10O17 996.4765 NA PeJP NA NA +PJ123760 SSSSSCKRR C36H68N16O15S 996.4771 NA PeJP NA NA +PJ123761 STTLKMMW C44H72N10O12S2 996.4773 NA PeJP NA NA +PJ123762 QQQQFRY C44H64N14O13 996.4777 NA PeJP NA NA +MJ099243 3,14,21-Trihydroxypregnan-20-one, 3-O-[?-D-Gentiobiosyl-(1?4)-?-L-acofrioside], 21-O-?-D-glucopyranoside C46H76O23 996.477738 NA MeJP NA NA +PJ123763 STERRYW C44H64N14O13 996.4778 NA PeJP NA NA +PJ123764 VKMFFYY C52H68N8O10S 996.4779 NA PeJP NA NA +PJ123765 PPPVMFFY C52H68N8O10S 996.478 NA PeJP NA NA +PJ123766 AMMFRRW C45H68N14O8S2 996.4786 NA PeJP NA NA +PJ123767 PQHHHRW C45H60N18O9 996.4791 NA PeJP NA NA +PJ123768 SSTTTLKEM C40H72N10O17S 996.4798 NA PeJP NA NA +PJ123769 APLLEEYY C48H68N8O15 996.4804 NA PeJP NA NA +PJ123770 PVVVEEYY C48H68N8O15 996.4805 NA PeJP NA NA +PJ123771 SLKKEMMM C41H76N10O12S3 996.4807 NA PeJP NA NA +PJ123772 DKEMRRY C41H68N14O13S 996.4811 NA PeJP NA NA +PJ123773 GGGGATKMRY C41H68N14O13S 996.4812 NA PeJP NA NA +PJ123774 PPVLMMFY C49H72N8O10S2 996.4813 NA PeJP NA NA +PJ123775 SSLRYWW C49H64N12O11 996.4818 NA PeJP NA NA +PJ123776 NMHHFRR C42H64N18O9S 996.4825 NA PeJP NA NA +PJ123777 GSSSSSTTKR C37H68N14O18 996.4836 NA PeJP NA NA +PJ123778 SLLLEEMY C45H72N8O15S 996.4838 NA PeJP NA NA +PJ123779 TTTTMMRR C38H72N14O13S2 996.4845 NA PeJP NA NA +PJ123780 PVLLMMMY C46H76N8O10S3 996.4847 NA PeJP NA NA +PJ123781 DEEHRRR C38H64N18O14 996.485 NA PeJP NA NA +PJ123782 VDKMRYW C46H68N12O11S 996.4852 NA PeJP NA NA +PJ123783 APKFYWW C54H64N10O9 996.4858 NA PeJP NA NA +PJ123784 ASPTTTTRY C42H68N12O16 996.4876 NA PeJP NA NA +PJ123785 SSSSSTKKW C42H68N12O16 996.4877 NA PeJP NA NA +PJ123786 SSCKKKMW C43H72N12O11S2 996.4885 NA PeJP NA NA +PJ123787 GGGAAKKMMF C43H72N12O11S2 996.4886 NA PeJP NA NA +PJ123788 VDEHRRW C43H64N16O12 996.489 NA PeJP NA NA +PJ123789 ALKMYWW C51H68N10O9S 996.4892 NA PeJP NA NA +PJ123790 SSTTTTLMR C39H72N12O16S 996.491 NA PeJP NA NA +PJ123791 GTTLKEYW C47H68N10O14 996.4917 NA PeJP NA NA +PJ123792 STLKMMMR C40H76N12O11S3 996.4919 NA PeJP NA NA +PJ123793 SEMRRRY C40H68N16O12S 996.4924 NA PeJP NA NA +PJ123794 AALKMMFW C48H72N10O9S2 996.4926 NA PeJP NA NA +MJ099244 11-Hydroxy-3,21-dioxo-12-oleanen-28-oic acid; 11?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-6-O-acetyl-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester C50H76O20 996.492994 NA MeJP NA NA +PJ123795 ALEHRWW C48H64N14O10 996.493 NA PeJP NA NA +MJ099245 Mycalolide A; 30R-Alcohol, 30-O-(2R-methoxypropanoyl) C51H72N4O16 996.494332 NA MeJP NA NA +PJ123796 SVLQKEMY C44H72N10O14S 996.495 NA PeJP NA NA +PJ123797 GLKKEEMY C44H72N10O14S 996.4951 NA PeJP NA NA +PJ123798 VVKYYYY C52H68N8O12 996.4957 NA PeJP NA NA +PJ123799 PCLKKMMF C45H76N10O9S3 996.4959 NA PeJP NA NA +PJ123800 GSNDHRRR C37H64N20O13 996.4962 NA PeJP NA NA +PJ123801 SVMRRYW C45H68N14O10S 996.4964 NA PeJP NA NA +PJ123802 AVLHWWW C53H64N12O8 996.497 NA PeJP NA NA +PJ123803 GLLHWWW C53H64N12O8 996.4971 NA PeJP NA NA +PJ123804 SSSSTTTTLL C40H72N10O19 996.4975 NA PeJP NA NA +PJ123805 SSSTLLKMM C41H76N10O14S2 996.4984 NA PeJP NA NA +PJ123806 SSSLERRY C41H68N14O15 996.4989 NA PeJP NA NA +PJ123807 PPTLLMYY C49H72N8O12S 996.4991 NA PeJP NA NA +PJ123808 VVKKMMMM C42H80N10O9S4 996.4993 NA PeJP NA NA +PJ123809 LQMMRRY C42H72N14O10S2 996.4998 NA PeJP NA NA +PJ123810 SQQHRRW C42H64N18O11 996.5002 NA PeJP NA NA +PJ123811 GGGATHRRW C42H64N18O11 996.5003 NA PeJP NA NA +PJ123812 PLKMHWW C50H68N12O8S 996.5004 NA PeJP NA NA +PJ123813 SSSSSKKMR C38H72N14O15S 996.5023 NA PeJP NA NA +PJ123814 VVLLEMMY C46H76N8O12S2 996.5025 NA PeJP NA NA +PJ123815 GTTTLRYW C46H68N12O13 996.5029 NA PeJP NA NA +PJ123816 GGGGGAAPPPLF C46H68N12O13 996.503 NA PeJP NA NA +PJ123817 TCCKKKMR C39H76N14O10S3 996.5031 NA PeJP NA NA +PJ123818 AAQQMHRR C39H68N18O11S 996.5036 NA PeJP NA NA +PJ123819 VKMMFRW C47H72N12O8S2 996.5038 NA PeJP NA NA +PJ123820 GQKHRWW C47H64N16O9 996.5043 NA PeJP NA NA +PJ123821 GTLKEMRY C43H72N12O13S 996.5063 NA PeJP NA NA +PJ123822 TTLKYWW C51H68N10O11 996.5069 NA PeJP NA NA +PJ123823 GPPLLEWW C51H68N10O11 996.507 NA PeJP NA NA +PJ123824 PCFRRRY C44H68N16O9S 996.5076 NA PeJP NA NA +PJ123825 FFRRWW C52H64N14O7 996.5083 NA PeJP NA NA +PJ123826 SSSSSSSLKK C39H72N12O18 996.5088 NA PeJP NA NA +PJ123827 GSSTKKKMM C40H76N12O13S2 996.5097 NA PeJP NA NA +PJ123828 SSSNKRRY C40H68N16O14 996.5101 NA PeJP NA NA +PJ123829 GGGAPPTERR C40H68N16O14 996.5102 NA PeJP NA NA +PJ123830 LKKEMYW C48H72N10O11S 996.5103 NA PeJP NA NA +PJ123831 CLMRRRY C41H72N16O9S2 996.511 NA PeJP NA NA +PJ123832 GPTHHHRR C41H64N20O10 996.5115 NA PeJP NA NA +PJ123833 STLKKEEY C44H72N10O16 996.5128 NA PeJP NA NA +PJ123834 SPLKKMMY C45H76N10O11S2 996.5137 NA PeJP NA NA +PJ123835 QQQKFRY C45H68N14O12 996.5141 NA PeJP NA NA +PJ123836 LKEEHRW C45H68N14O12 996.5142 NA PeJP NA NA +PJ123837 PPVLMFFF C53H72N8O9S 996.5143 NA PeJP NA NA +PJ123838 NQMHRRR C38H68N20O10S 996.5148 NA PeJP NA NA +PJ123839 GGQMHRRR C38H68N20O10S 996.5149 NA PeJP NA NA +PJ123840 PKHHHRW C46H64N18O8 996.5155 NA PeJP NA NA +PJ123841 TTTTTTLKM C41H76N10O16S 996.5162 NA PeJP NA NA +PJ123842 SPLLLEYY C49H72N8O14 996.5168 NA PeJP NA NA +PJ123843 GTTLMRRY C42H72N14O12S 996.5175 NA PeJP NA NA +PJ123844 GGGGGPPVLMR C42H72N14O12S 996.5176 NA PeJP NA NA +PJ123845 PVLLMMFF C50H76N8O9S2 996.5177 NA PeJP NA NA +PJ123846 VLKEHWW C50H68N12O10 996.5182 NA PeJP NA NA +PJ123847 VLLLMMMF C47H80N8O9S3 996.5211 NA PeJP NA NA +PJ123848 SPPNDRRR C39H68N18O13 996.5214 NA PeJP NA NA +PJ123849 TLKMRYW C47H72N12O10S 996.5215 NA PeJP NA NA +PJ123850 GGKKKMYW C47H72N12O10S 996.5216 NA PeJP NA NA +PJ123851 PPLLWWW C55H68N10O8 996.5222 NA PeJP NA NA +PJ123852 STTLKERY C43H72N12O15 996.524 NA PeJP NA NA +PJ123853 GGSTKKKEY C43H72N12O15 996.5241 NA PeJP NA NA +PJ123854 GVLKMMRY C44H76N12O10S2 996.5249 NA PeJP NA NA +PJ123855 TLEHRRW C44H68N16O11 996.5254 NA PeJP NA NA +PJ123856 CNHRRRR C37H68N22O9S 996.5261 NA PeJP NA NA +PJ123857 SSSTTKKKM C40H76N12O15S 996.5274 NA PeJP NA NA +PJ123858 SSTLLKYW C48H72N10O13 996.5281 NA PeJP NA NA +PJ123859 TCKKKKMM C41H80N12O10S3 996.5283 NA PeJP NA NA +PJ123860 GSCKKRRY C41H72N16O11S 996.5288 NA PeJP NA NA +MJ099246 13,28-Epoxy-11,21-oleanadiene-3,16,23-triol, 16-Propanoyl, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] C51H80O19 996.52938 NA MeJP NA NA +MJ099247 3,8,12,14,16-Pentahydroxypregn-5-en-20-one, 12-Tigloyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] C51H80O19 996.52938 NA MeJP NA NA +MJ099248 Spirost-5-en-3-ol, 3-O-[3-Methylglutaryl-(?4)-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] C51H80O19 996.52938 NA MeJP NA NA +PJ123861 SLLHRWW C49H68N14O9 996.5294 NA PeJP NA NA +PJ123862 SVLKKEMY C45H76N10O13S 996.5314 NA PeJP NA NA +PJ123863 LLLLEEMH C45H76N10O13S 996.5315 NA PeJP NA NA +PJ123864 PPVVLFYY C53H72N8O11 996.5321 NA PeJP NA NA +PJ123865 GSTQHRRR C38H68N20O12 996.5326 NA PeJP NA NA +PJ123866 AALLMHRW C46H72N14O9S 996.5328 NA PeJP NA NA +PJ123867 STTTLRRY C42H72N14O14 996.5353 NA PeJP NA NA +PJ123868 PVVLLMYY C50H76N8O11S 996.5355 NA PeJP NA NA +PJ123869 LKMMRRY C43H76N14O9S2 996.5362 NA PeJP NA NA +PJ123870 SQKHRRW C43H68N18O10 996.5366 NA PeJP NA NA +PJ123871 TLLLLMMY C47H80N8O11S2 996.5388 NA PeJP NA NA +PJ123872 GSTKKKYW C47H72N12O12 996.5393 NA PeJP NA NA +PJ123873 LEMHRRR C40H72N18O10S 996.54 NA PeJP NA NA +PJ123874 GKKHRWW C48H68N16O8 996.5407 NA PeJP NA NA +PJ123875 SSLLKMRY C44H76N12O12S 996.5427 NA PeJP NA NA +PJ123876 SPPVLLWW C52H72N10O10 996.5433 NA PeJP NA NA +PJ123877 VLMHRRW C45H72N16O8S 996.544 NA PeJP NA NA +PJ123878 SSLLEHRR C41H72N16O13 996.5465 NA PeJP NA NA +PJ123879 GGGGGGAAPLKR C41H72N16O13 996.5466 NA PeJP NA NA +PJ123880 PPLLLQMW C49H76N10O10S 996.5467 NA PeJP NA NA +PJ123881 AALHHHRR C42H68N20O9 996.5479 NA PeJP NA NA +PJ123882 SSSSLLLKY C45H76N10O15 996.5492 NA PeJP NA NA +PJ123883 ALLKKMMY C46H80N10O10S2 996.5501 NA PeJP NA NA +PJ123884 ATTLLHRW C46H72N14O11 996.5505 NA PeJP NA NA +PJ123885 GPPKKERW C46H72N14O11 996.5506 NA PeJP NA NA +PJ123886 GPPCRRRR C39H72N20O9S 996.5512 NA PeJP NA NA +PJ123887 ALLLLEYY C50H76N8O13 996.5532 NA PeJP NA NA +PJ123888 GSKKKMRY C43H76N14O11S 996.5539 NA PeJP NA NA +PJ123889 GPPVKKWW C51H72N12O9 996.5546 NA PeJP NA NA +PJ123890 GPVQERRR C40H72N18O12 996.5578 NA PeJP NA NA +PJ123891 PPVVLMRW C48H76N12O9S 996.5579 NA PeJP NA NA +PJ123892 VHHHRRR C41H68N22O8 996.5591 NA PeJP NA NA +PJ123893 SSKKKKEY C44H76N12O14 996.5604 NA PeJP NA NA +PJ123894 GAPLLLEER C44H76N12O14 996.5605 NA PeJP NA NA +PJ123895 GKKKKMMF C45H80N12O9S2 996.5613 NA PeJP NA NA +PJ123896 GPPTKRRW C45H72N16O10 996.5618 NA PeJP NA NA +PJ123897 PVLLLQEW C49H76N10O12 996.5645 NA PeJP NA NA +PJ123898 SVVLMHRR C42H76N16O10S 996.5651 NA PeJP NA NA +PJ123899 ATLLMHRR C42H76N16O10S 996.5652 NA PeJP NA NA +MJ099249 Antibiotic SNA 4606-1 C52H84O18 996.565765 NA MeJP NA NA +PJ123900 PPKKRWW C50H72N14O8 996.5658 NA PeJP NA NA +PJ123901 TTLLKKMY C46H80N10O12S 996.5678 NA PeJP NA NA +PJ123902 PVVLLFFY C54H76N8O10 996.5685 NA PeJP NA NA +PJ123903 PQERRRR C39H72N20O11 996.569 NA PeJP NA NA +PJ123904 LKMFFRR C47H76N14O8S 996.5692 NA PeJP NA NA +PJ123905 SSTKKKRY C43H76N14O13 996.5717 NA PeJP NA NA +PJ123906 VVLLLMFY C51H80N8O10S 996.5719 NA PeJP NA NA +PJ123907 PVQRRRW C44H72N18O9 996.573 NA PeJP NA NA +PJ123908 APLLLERW C48H76N12O11 996.5757 NA PeJP NA NA +PJ123909 GPPKMRRR C41H76N18O9S 996.5764 NA PeJP NA NA +PJ123910 ATKKKKMY C45H80N12O11S 996.5791 NA PeJP NA NA +PJ123911 GPLLLLWW C53H76N10O9 996.5797 NA PeJP NA NA +PJ123912 TTTLLHRR C42H76N16O12 996.5829 NA PeJP NA NA +PJ123913 PPLLLKMW C50H80N10O9S 996.5831 NA PeJP NA NA +PJ123914 APRRRRW C43H72N20O8 996.5842 NA PeJP NA NA +PJ123915 GPVLLLKEE C46H80N10O14 996.5856 NA PeJP NA NA +PJ123916 SPPVKKRW C47H76N14O10 996.5869 NA PeJP NA NA +PJ123917 SLLLLLYY C51H80N8O12 996.5896 NA PeJP NA NA +PJ123918 SLLLKMHR C44H80N14O10S 996.5903 NA PeJP NA NA +PJ123919 GPVKERRR C41H76N18O11 996.5941 NA PeJP NA NA +PJ123920 APVDKRRR C41H76N18O11 996.5942 NA PeJP NA NA +PJ123921 TTTKKKKY C45H80N12O13 996.5968 NA PeJP NA NA +PJ123922 GGGGGGALLLLL C45H80N12O13 996.5969 NA PeJP NA NA +7566 ACE inhibitor VRGPFPIIV 996.598 antioxidative Inhouse_peptide NA peptide +PJ123923 AAPLKRRW C46H76N16O9 996.5982 NA PeJP NA NA +PJ123924 AAPTLLLLW C50H80N10O11 996.6008 NA PeJP NA NA +PJ123925 PVLLLKEW C50H80N10O11 996.6009 NA PeJP NA NA +PJ123926 PPCLKKRR C43H80N16O9S 996.6015 NA PeJP NA NA +PJ123927 SPPVLLLKM C47H84N10O11S 996.6042 NA PeJP NA NA +PJ123928 VVLLLFFF C55H80N8O9 996.6049 NA PeJP NA NA +PJ123929 PKERRRR C40H76N20O10 996.6054 NA PeJP NA NA +PJ123930 PTLLLERR C44H80N14O12 996.6081 NA PeJP NA NA +PJ123931 PVKRRRW C45H76N18O8 996.6094 NA PeJP NA NA +PJ123932 SPLLLLRW C49H80N12O10 996.6121 NA PeJP NA NA +PJ123933 AAPLLLLMR C46H84N12O10S 996.6155 NA PeJP NA NA +PJ123934 PTRRRRR C39H76N22O9 996.6166 NA PeJP NA NA +PJ123935 APLKKERR C43H80N16O11 996.6193 NA PeJP NA NA +PJ123936 APTLLLLKE C47H84N10O13 996.622 NA PeJP NA NA +PJ123937 GPLLKKRW C48H80N14O9 996.6233 NA PeJP NA NA +PJ123938 PVLLLMRR C45H84N14O9S 996.6267 NA PeJP NA NA +PJ123939 APTLKRRR C42H80N18O10 996.6305 NA PeJP NA NA +PJ123940 LLLLLQER C46H84N12O12 996.6332 NA PeJP NA NA +PJ123941 VLLLLLQW C51H84N10O10 996.6372 NA PeJP NA NA +PJ123942 GPLLLLLKM C48H88N10O10S 996.6406 NA PeJP NA NA +PJ123943 LLQRRRR C41H80N20O9 996.6418 NA PeJP NA NA +PJ123944 PVLKKKER C45H84N14O11 996.6444 NA PeJP NA NA +PJ123945 VVLLLERR C45H84N14O11 996.6445 NA PeJP NA NA +PJ123946 ALLLLLRW C50H84N12O9 996.6485 NA PeJP NA NA +PJ123947 VVRRRRR C40H80N22O8 996.653 NA PeJP NA NA +PJ123948 SPLLKKRR C44H84N16O10 996.6557 NA PeJP NA NA +PJ123949 GVLLLLLKE C48H88N10O12 996.6584 NA PeJP NA NA +PJ123950 GVLLKRRR C43H84N18O9 996.6669 NA PeJP NA NA +PJ123951 LLLLLKER C47H88N12O11 996.6696 NA PeJP NA NA +PJ123952 VLLLLLKW C52H88N10O9 996.6736 NA PeJP NA NA +PJ123953 LLKRRRR C42H84N20O8 996.6782 NA PeJP NA NA +PJ123954 TLLLLLRR C46H88N14O10 996.6808 NA PeJP NA NA +PJ123955 ALLLKKRR C45H88N16O9 996.6921 NA PeJP NA NA +PJ123956 ATLLLLLLK C49H92N10O11 996.6947 NA PeJP NA NA +PJ123957 SVVLLLLLK C49H92N10O11 996.6948 NA PeJP NA NA +PJ123958 AALLLLKKK C48H92N12O10 996.706 NA PeJP NA NA +PJ123959 VLLLKKKR C47H92N14O9 996.7172 NA PeJP NA NA +HMDB10560 TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] C67H96O6 996.720703 NA HMDB2010 NA NA +PJ123960 CCCCCCDDM C31H51N9O14S7 997.1601 NA PeJP NA NA +PJ123961 GSCCCCCCCN C30H51N11O13S7 997.1713 NA PeJP NA NA +PJ123962 SCCCCCDMM C32H55N9O13S7 997.1965 NA PeJP NA NA +PJ123963 GCCCCCDEY C35H51N9O15S5 997.2109 NA PeJP NA NA +PJ123964 ACCCCCMMM C33H59N9O10S8 997.2151 NA PeJP NA NA +PJ123965 SCCCCCCHH C33H51N13O11S6 997.2156 NA PeJP NA NA +PJ123966 PCCCCCDDH C34H51N11O14S5 997.2221 NA PeJP NA NA +PJ123967 CCCCCDYW C39H51N9O12S5 997.2261 NA PeJP NA NA +PJ123968 SSCCCCDDY C35H51N9O17S4 997.2286 NA PeJP NA NA +PJ123969 PTCCCCCCY C36H55N9O12S6 997.2295 NA PeJP NA NA +PJ123970 SSCCCCMMM C33H59N9O12S7 997.2328 NA PeJP NA NA +PJ123971 TTCCCCCMM C33H59N9O12S7 997.2329 NA PeJP NA NA +PJ123972 GCCCDDDMH C34H51N11O16S4 997.2399 NA PeJP NA NA +PJ123973 CCCCCMFW C40H55N9O9S6 997.2447 NA PeJP NA NA +PJ123974 GCDDDDDDE C34H47N9O24S 997.2455 NA PeJP NA NA +PJ123975 GSCCCCEMY C36H55N9O14S5 997.2472 NA PeJP NA NA +PJ123976 SCCCCNNDH C33H51N13O15S4 997.2511 NA PeJP NA NA +PJ123977 CCCCDEHW C38H51N11O13S4 997.2551 NA PeJP NA NA +PJ123978 SSCCCDDEH C34H51N11O18S3 997.2576 NA PeJP NA NA +PJ123979 SPCCCCDMH C35H55N11O13S5 997.2585 NA PeJP NA NA +PJ123980 CDDDDDDW C38H47N9O21S 997.2608 NA PeJP NA NA +PJ123981 CCCNDDYY C39H51N9O16S3 997.2616 NA PeJP NA NA +PJ123982 SCCCCMYW C40H55N9O11S5 997.2625 NA PeJP NA NA +PJ123983 SSDDDDDDD C34H47N9O26 997.2633 NA PeJP NA NA +PJ123984 SPCCDDDDE C35H51N9O21S2 997.2641 NA PeJP NA NA +PJ123985 SSSCCCDMY C36H55N9O16S4 997.265 NA PeJP NA NA +PJ123986 CCCNMMMY C37H59N9O11S6 997.2659 NA PeJP NA NA +PJ123987 GCCCCNQMH C34H55N13O12S5 997.2697 NA PeJP NA NA +PJ123988 GCNNDDDDM C34H51N11O20S2 997.2754 NA PeJP NA NA +PJ123989 GSCCDDMMH C35H55N11O15S4 997.2762 NA PeJP NA NA +PJ123990 APCCCCMMH C36H59N11O10S6 997.2771 NA PeJP NA NA +PJ123991 GSPCCCCYY C40H55N9O13S4 997.2803 NA PeJP NA NA +PJ123992 GCCCCCNHR C33H55N15O11S5 997.281 NA PeJP NA NA +PJ123993 GSDDDDDEM C35H51N9O23S 997.2819 NA PeJP NA NA +PJ123994 GPCDDDDMM C36H55N9O18S3 997.2828 NA PeJP NA NA +PJ123995 GSTCCCMMY C37H59N9O13S5 997.2836 NA PeJP NA NA +PJ123996 SCCNNNNDD C33H51N13O19S2 997.2866 NA PeJP NA NA +PJ123997 SSCCCNNMH C34H55N13O14S4 997.2875 NA PeJP NA NA +PJ123998 CCNNDDEW C38H51N11O17S2 997.2906 NA PeJP NA NA +PJ123999 SCCCEMHW C39H55N11O12S4 997.2915 NA PeJP NA NA +PJ124000 SSCNNDDDE C34H51N11O22S 997.2931 NA PeJP NA NA +PJ124001 SSSCCDEMH C35H55N11O17S3 997.294 NA PeJP NA NA +PJ124002 CCNEMMMH C36H59N11O12S5 997.2949 NA PeJP NA NA +PJ124003 GSCCCDHHH C36H51N15O13S3 997.2953 NA PeJP NA NA +PJ124004 ACCCCFYW C44H55N9O10S4 997.2955 NA PeJP NA NA +PJ124005 SDDDDDMW C39H51N9O20S 997.2972 NA PeJP NA NA +PJ124006 PCCDDEMW C40H55N9O15S3 997.298 NA PeJP NA NA +PJ124007 CCCNMMFF C41H59N9O10S5 997.2989 NA PeJP NA NA +PJ124008 SSSDDDDEE C35H51N9O25 997.2996 NA PeJP NA NA +PJ124009 NDDDEEMM C36H55N9O20S2 997.3005 NA PeJP NA NA +PJ124010 SSSSCCMMY C37H59N9O15S4 997.3014 NA PeJP NA NA +PJ124011 GPCCDDDHH C37H51N13O16S2 997.3019 NA PeJP NA NA +PJ124012 GSSSSCCCQH C34H55N13O16S3 997.3052 NA PeJP NA NA +PJ124013 GGGGGGGCCNEM C34H55N13O16S3 997.3053 NA PeJP NA NA +PJ124014 GCCNDDWW C42H51N11O14S2 997.3059 NA PeJP NA NA +PJ124015 CCCDMMHR C35H59N13O11S5 997.3061 NA PeJP NA NA +PJ124016 PCCCCHFW C43H55N11O9S4 997.3068 NA PeJP NA NA +PJ124017 GSSCNDDDW C38H51N11O19S 997.3084 NA PeJP NA NA +PJ124018 GSPCCCNEW C39H55N11O14S3 997.3092 NA PeJP NA NA +PJ124019 GGGSPCCCEW C39H55N11O14S3 997.3093 NA PeJP NA NA +PJ124020 GCCMMMHW C40H59N11O9S5 997.3101 NA PeJP NA NA +PJ124021 GSSSSNDDDD C34H51N11O24 997.3109 NA PeJP NA NA +PJ124022 ASCNNDDEM C35H55N11O19S2 997.3117 NA PeJP NA NA +PJ124023 CDDDDEMR C35H55N11O19S2 997.3118 NA PeJP NA NA +PJ124024 GSSCDMMMH C36H59N11O14S4 997.3126 NA PeJP NA NA +PJ124025 GTCCCYYW C44H55N9O12S3 997.3133 NA PeJP NA NA +PJ124026 CCCQMHHH C37H55N15O10S4 997.314 NA PeJP NA NA +PJ124027 GSPDDDDDY C39H51N9O22 997.3149 NA PeJP NA NA +PJ124028 GDDDEMMW C40H55N9O17S2 997.3158 NA PeJP NA NA +PJ124029 GCCCNNNDR C33H55N15O15S3 997.3165 NA PeJP NA NA +PJ124030 GCCQMMYY C41H59N9O12S4 997.3166 NA PeJP NA NA +PJ124031 PPPCCCCEF C41H59N9O12S4 997.3167 NA PeJP NA NA +PJ124032 GSSDDEEEM C36H55N9O22S 997.3183 NA PeJP NA NA +PJ124033 ASPCCEEEM C37H59N9O17S3 997.3191 NA PeJP NA NA +PJ124034 GSPDDDMMM C37H59N9O17S3 997.3192 NA PeJP NA NA +PJ124035 NDDDDMHH C37H51N13O18S 997.3196 NA PeJP NA NA +PJ124036 GPPCCEMMM C38H63N9O12S5 997.32 NA PeJP NA NA +PJ124037 CCNNNNMW C38H55N13O13S3 997.3205 NA PeJP NA NA +PJ124038 GSCCNDDER C34H55N13O18S2 997.323 NA PeJP NA NA +PJ124039 GPCCCNDMR C35H59N13O13S4 997.3239 NA PeJP NA NA +PJ124040 SPCCCNWW C43H55N11O11S3 997.3245 NA PeJP NA NA +PJ124041 CCCCHHHR C36H55N17O9S4 997.3252 NA PeJP NA NA +PJ124042 NNNDDDEY C38H51N11O21 997.3261 NA PeJP NA NA +PJ124043 GGGGNDDDEY C38H51N11O21 997.3262 NA PeJP NA NA +PJ124044 SCNNDEMW C39H55N11O16S2 997.327 NA PeJP NA NA +PJ124045 STCCMMHW C40H59N11O11S4 997.3279 NA PeJP NA NA +PJ124046 SSSNNDDEM C35H55N11O21S 997.3295 NA PeJP NA NA +PJ124047 GDDDDEFW C43H51N9O19 997.3302 NA PeJP NA NA +PJ124048 SSSSCEMMH C36H59N11O16S3 997.3304 NA PeJP NA NA +PJ124049 GSCNNDDHH C36H51N15O17S 997.3309 NA PeJP NA NA +PJ124050 DDDMMWW C44H55N9O14S2 997.331 NA PeJP NA NA +PJ124051 SCQMMMMH C37H63N11O11S5 997.3312 NA PeJP NA NA +PJ124052 CCDKMMMH C37H63N11O11S5 997.3313 NA PeJP NA NA +PJ124053 GSSCCMHHH C37H55N15O12S3 997.3317 NA PeJP NA NA +PJ124054 SSDDEEMW C40H55N9O19S 997.3335 NA PeJP NA NA +PJ124055 SPCDEMMW C41H59N9O14S3 997.3344 NA PeJP NA NA +PJ124056 GCDDEHHW C41H51N13O15S 997.3349 NA PeJP NA NA +PJ124057 PPCCMMMW C42H63N9O9S5 997.3353 NA PeJP NA NA +PJ124058 SSSSDEEEE C36H55N9O24 997.336 NA PeJP NA NA +PJ124059 SNEEEEMM C37H59N9O19S2 997.3369 NA PeJP NA NA +PJ124060 GSSDDDEHH C37H51N13O20 997.3374 NA PeJP NA NA +PJ124061 DDEMYYY C45H55N7O17S 997.3375 NA PeJP NA NA +PJ124062 PNDEMMMM C38H63N9O14S4 997.3378 NA PeJP NA NA +PJ124063 SCCNDDRW C38H55N13O15S2 997.3382 NA PeJP NA NA +PJ124064 GGGGGSSCCQW C38H55N13O15S2 997.3383 NA PeJP NA NA +PJ124065 PCCCCQRW C39H59N13O10S4 997.3391 NA PeJP NA NA +PJ124066 SSSCNDDDR C34H55N13O20S 997.3407 NA PeJP NA NA +PJ124067 GGSSSCDDDR C34H55N13O20S 997.3408 NA PeJP NA NA +PJ124068 GNNDDDYW C42H51N11O18 997.3414 NA PeJP NA NA +PJ124069 CNNDDMMR C35H59N13O15S3 997.3416 NA PeJP NA NA +PJ124070 EMMMMYY C43H63N7O12S4 997.3418 NA PeJP NA NA +PJ124071 GSCNDMWW C43H55N11O13S2 997.3423 NA PeJP NA NA +PJ124072 SCCMMMHR C36H63N13O10S5 997.3425 NA PeJP NA NA +PJ124073 GSSSNDDMW C39H55N11O18S 997.3448 NA PeJP NA NA +PJ124074 DDDDFWW C47H51N9O16 997.3454 NA PeJP NA NA +PJ124075 GNNDMMMW C40H59N11O13S3 997.3456 NA PeJP NA NA +PJ124076 GGGGGDMMMW C40H59N11O13S3 997.3457 NA PeJP NA NA +PJ124077 CCNFYYW C48H55N9O11S2 997.3463 NA PeJP NA NA +PJ124078 GSSSSSNDEE C35H55N11O23 997.3473 NA PeJP NA NA +PJ124079 SDDDEMMR C36H59N11O18S2 997.3481 NA PeJP NA NA +PJ124080 GGGGGSSEEMM C36H59N11O18S2 997.3482 NA PeJP NA NA +PJ124081 GPDDDMYW C44H55N9O16S 997.3488 NA PeJP NA NA +PJ124082 PCDDMMMR C37H63N11O13S4 997.349 NA PeJP NA NA +PJ124083 SSSTCCHHH C37H55N15O14S2 997.3495 NA PeJP NA NA +PJ124084 PPCCDMFW C45H59N9O11S3 997.3497 NA PeJP NA NA +PJ124085 CDDHHWW C45H51N13O12S 997.3501 NA PeJP NA NA +PJ124086 CCCKMHHH C38H59N15O9S4 997.3504 NA PeJP NA NA +PJ124087 GNEEEEEY C40H55N9O21 997.3513 NA PeJP NA NA +PJ124088 GSSSTCMYY C41H59N9O16S2 997.3521 NA PeJP NA NA +PJ124089 GSEEEMMW C41H59N9O16S2 997.3522 NA PeJP NA NA +PJ124090 SSDDDHHW C41H51N13O17 997.3526 NA PeJP NA NA +PJ124091 CCCNDERR C34H59N15O14S3 997.3528 NA PeJP NA NA +PJ124092 GGCCCDERR C34H59N15O14S3 997.3529 NA PeJP NA NA +PJ124093 GPDMMMMW C42H63N9O11S4 997.353 NA PeJP NA NA +PJ124094 SPCCEHHW C42H55N13O12S2 997.3535 NA PeJP NA NA +PJ124095 GSSTEEEEM C37H59N9O21S 997.3547 NA PeJP NA NA +PJ124096 AQEEEMMM C38H63N9O16S3 997.3555 NA PeJP NA NA +PJ124097 SSSSCNNNW C38H55N13O17S 997.356 NA PeJP NA NA +PJ124098 DEMMFYY C46H59N7O14S2 997.3562 NA PeJP NA NA +PJ124099 GPPTCMMMM C39H67N9O11S5 997.3564 NA PeJP NA NA +PJ124100 GCCNEMRW C39H59N13O12S3 997.3569 NA PeJP NA NA +PJ124101 SCCQWWW C47H55N11O10S2 997.3575 NA PeJP NA NA +PJ124102 SSSSSSNNND C34H55N13O22 997.3585 NA PeJP NA NA +PJ124103 SSSCNNQQM C35H59N13O17S2 997.3593 NA PeJP NA NA +PJ124104 GSSCNDEMR C35H59N13O17S2 997.3594 NA PeJP NA NA +PJ124105 SSSCNEWW C43H55N11O15S 997.36 NA PeJP NA NA +PJ124106 GSPCCNMMR C36H63N13O12S4 997.3602 NA PeJP NA NA +PJ124107 GGGSPCCMMR C36H63N13O12S4 997.3603 NA PeJP NA NA +PJ124108 CCNNDHHR C36H55N17O13S2 997.3607 NA PeJP NA NA +PJ124109 CNQMMWW C44H59N11O10S3 997.3609 NA PeJP NA NA +PJ124110 SSSSSNDEW C39H55N11O20 997.3625 NA PeJP NA NA +PJ124111 SSNNEMMW C40H59N11O15S2 997.3634 NA PeJP NA NA +PJ124112 PCDEYWW C48H55N9O13S 997.364 NA PeJP NA NA +PJ124113 PCCCQKMW C41H63N11O10S4 997.3643 NA PeJP NA NA +PJ124114 GCNNMHHW C41H55N15O11S2 997.3647 NA PeJP NA NA +PJ124115 GGGGGCMHHW C41H55N15O11S2 997.3648 NA PeJP NA NA +PJ124116 SSSSNQEEM C36H59N11O20S 997.3659 NA PeJP NA NA +PJ124117 NEEEEYW C44H55N9O18 997.3665 NA PeJP NA NA +PJ124118 GGEEEEYW C44H55N9O18 997.3666 NA PeJP NA NA +PJ124119 SPTTCCQQM C37H63N11O15S3 997.3667 NA PeJP NA NA +PJ124120 GDEEMMMR C37H63N11O15S3 997.3668 NA PeJP NA NA +PJ124121 SCDDEHHR C37H55N15O16S 997.3672 NA PeJP NA NA +PJ124122 GGGGGSSDMHH C37H55N15O16S 997.3673 NA PeJP NA NA +PJ124123 SEEMMWW C45H59N9O13S2 997.3674 NA PeJP NA NA +PJ124124 SCKMMMMH C38H67N11O10S5 997.3676 NA PeJP NA NA +PJ124125 GCCCDRRW C38H59N15O11S3 997.3681 NA PeJP NA NA +PJ124126 SSTEEEMW C41H59N9O18S 997.3699 NA PeJP NA NA +PJ124127 PDDYYYY C49H55N7O16 997.3706 NA PeJP NA NA +PJ124128 AAEEMMMW C42H63N9O13S3 997.3708 NA PeJP NA NA +PJ124129 GCNNNQYW C42H55N13O14S 997.3712 NA PeJP NA NA +PJ124130 GGGCNNQYW C42H55N13O14S 997.3713 NA PeJP NA NA +PJ124131 GPTCCCCRR C35H63N15O11S4 997.3715 NA PeJP NA NA +PJ124132 CCNMRWW C43H59N13O9S3 997.3721 NA PeJP NA NA +PJ124133 SSSTTEEEE C37H59N9O23 997.3724 NA PeJP NA NA +PJ124134 SDKEEEMM C38H63N9O18S2 997.3733 NA PeJP NA NA +PJ124135 GSSNNNNEY C38H55N13O19 997.3737 NA PeJP NA NA +PJ124136 SNNDDDRY C38H55N13O19 997.3738 NA PeJP NA NA +PJ124137 TEEMYYY C46H59N7O16S 997.3739 NA PeJP NA NA +PJ124138 PTQEMMMM C39H67N9O13S4 997.3742 NA PeJP NA NA +PJ124139 SSCNDMRW C39H59N13O14S2 997.3746 NA PeJP NA NA +PJ124140 GGGGGGGGNMMF C39H59N13O14S2 997.3747 NA PeJP NA NA +PJ124141 PMMMYYY C47H63N7O11S3 997.3748 NA PeJP NA NA +PJ124142 SNDDHHHH C39H51N17O15 997.3751 NA PeJP NA NA +PJ124143 GSSSCWWW C47H55N11O12S 997.3753 NA PeJP NA NA +PJ124144 PCCCCKRW C40H63N13O9S4 997.3755 NA PeJP NA NA +PJ124145 PCCQHHHH C40H55N17O10S2 997.376 NA PeJP NA NA +PJ124146 SSSSNDDMR C35H59N13O19S 997.3771 NA PeJP NA NA +PJ124147 GSSSSSDWW C43H55N11O17 997.3778 NA PeJP NA NA +PJ124148 SNNDMMMR C36H63N13O14S3 997.378 NA PeJP NA NA +PJ124149 GSSNMMWW C44H59N11O12S2 997.3786 NA PeJP NA NA +PJ124150 GGGSSMMWW C44H59N11O12S2 997.3787 NA PeJP NA NA +PJ124151 GSSSSQEMW C40H59N11O17S 997.3811 NA PeJP NA NA +PJ124152 GGGSSSTEMW C40H59N11O17S 997.3812 NA PeJP NA NA +PJ124153 GEEEYWW C48H55N9O15 997.3818 NA PeJP NA NA +PJ124154 DEMMMRW C41H63N11O12S3 997.382 NA PeJP NA NA +PJ124155 SSCNQHHW C41H55N15O13S 997.3825 NA PeJP NA NA +PJ124156 PCEMFWW C49H59N9O10S2 997.3827 NA PeJP NA NA +PJ124157 GSSSSSTQEE C36H59N11O22 997.3836 NA PeJP NA NA +PJ124158 GGGSSSSTTEE C36H59N11O22 997.3837 NA PeJP NA NA +PJ124159 SSEEEMMR C37H63N11O17S2 997.3845 NA PeJP NA NA +HMDB02150 O-b-D-glucopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-[6-deoxy-a-L-galactopyranosyl-(1->4)]-O-b-D-galactopyranosyl-(1->4)-O-[6-deoxy-a-L-galactopyranosyl-(1->3)]-D-Glucose C39H67NO28 997.384949 NA HMDB2010 NA NA +HMDB02150 O-b-D-glucopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-[6-deoxy-a-L-galactopyranosyl-(1->4)]-O-b-D-galactopyranosyl-(1->4)-O-[6-deoxy-a-L-galactopyranosyl-(1->3)]-D-Glucose C39H67NO28 997.38495 http://www.hmdb.ca/metabolites/HMDB02150 HMDB NA NA +HMDB02150 O-b-D-glucopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-[6-deoxy-a-L-galactopyranosyl-(1->4)]-O-b-D-galactopyranosyl-(1->4)-O-[6-deoxy-a-L-galactopyranosyl-(1->3)]-D-Glucose C39H67NO28 997.38495 HMDB02150 PFEM_hmdb_metabocards_official NA NA +PJ124160 SSSSNNEHH C37H55N15O18 997.385 NA PeJP NA NA +PJ124161 GSPEEMYW C45H59N9O15S 997.3852 NA PeJP NA NA +PJ124162 SPDMMMMR C38H67N11O12S4 997.3854 NA PeJP NA NA +PJ124163 CCNNNQFR C38H59N15O13S2 997.3859 NA PeJP NA NA +PJ124164 VDMMMWW C46H63N9O10S3 997.386 NA PeJP NA NA +PJ124165 GPPPCCMFF C46H63N9O10S3 997.3861 NA PeJP NA NA +PJ124166 SDMHHWW C46H55N13O11S 997.3865 NA PeJP NA NA +PJ124167 GDKEEEEY C41H59N9O20 997.3877 NA PeJP NA NA +PJ124168 GSSSSSCNNR C34H59N15O18S 997.3884 NA PeJP NA NA +PJ124169 ATTEEMMW C42H63N9O15S2 997.3885 NA PeJP NA NA +PJ124170 GGPVDEMMY C42H63N9O15S2 997.3886 NA PeJP NA NA +PJ124171 SSNNNNYW C42H55N13O16 997.389 NA PeJP NA NA +PJ124172 GGGGGGGGGGDFF C42H55N13O16 997.3891 NA PeJP NA NA +PJ124173 PDMFYYY C50H59N7O13S 997.3892 NA PeJP NA NA +PJ124174 GGGGGTCCCKR C35H63N15O13S3 997.3893 NA PeJP NA NA +PJ124175 APTMMMMW C43H67N9O10S4 997.3894 NA PeJP NA NA +PJ124176 GSTCCRWW C43H59N13O11S2 997.3899 NA PeJP NA NA +PJ124177 GCNFWWW C51H55N11O9S 997.3905 NA PeJP NA NA +PJ124178 SSSSLEEEM C38H63N9O20S 997.391 NA PeJP NA NA +MJ099250 Aeruginoguanidines; Aeruginoguanidine 98C C39H67N9O15S3 997.391874 NA MeJP NA NA +PJ124179 AKEEEMMM C39H67N9O15S3 997.3919 NA PeJP NA NA +PJ124180 GSSSSCERW C39H59N13O16S 997.3924 NA PeJP NA NA +PJ124181 VEMMYYY C47H63N7O13S2 997.3926 NA PeJP NA NA +PJ124182 PVQMMMMM C40H71N9O10S5 997.3928 NA PeJP NA NA +PJ124183 SNNEYWW C47H55N11O14 997.393 NA PeJP NA NA +PJ124184 GGGDDHFFF C47H55N11O14 997.3931 NA PeJP NA NA +PJ124185 GSCQMMRW C40H63N13O11S3 997.3933 NA PeJP NA NA +PJ124186 GNEMHHHH C40H55N17O12S 997.3937 NA PeJP NA NA +PJ124187 SCCKWWW C48H59N11O9S2 997.3939 NA PeJP NA NA +PJ124188 GSSSSSSDER C35H59N13O21 997.3949 NA PeJP NA NA +PJ124189 GTTTCCQER C36H63N13O16S2 997.3957 NA PeJP NA NA +PJ124190 GSSSNEMMR C36H63N13O16S2 997.3958 NA PeJP NA NA +PJ124191 NNNNDDHR C36H55N17O17 997.3962 NA PeJP NA NA +PJ124192 GGGGGGNDDHR C36H55N17O17 997.3963 NA PeJP NA NA +PJ124193 SSSSQMWW C44H59N11O14S 997.3964 NA PeJP NA NA +PJ124194 GNQMMMMR C37H67N13O11S4 997.3966 NA PeJP NA NA +PJ124195 EEYWWW C52H55N9O12 997.3971 NA PeJP NA NA +PJ124196 CNKMMWW C45H63N11O9S3 997.3973 NA PeJP NA NA +PJ124197 GCNHHHFF C45H55N15O10S 997.3978 NA PeJP NA NA +PJ124198 SSSSSTQEW C40H59N11O19 997.3989 NA PeJP NA NA +PJ124199 SSNDKMMW C41H63N11O14S2 997.3998 NA PeJP NA NA +PJ124200 GSSSSNHHW C41H55N15O15 997.4002 NA PeJP NA NA +PJ124201 GGGSSSSHHW C41H55N15O15 997.4003 NA PeJP NA NA +PJ124202 SPEMYWW C49H59N9O12S 997.4004 NA PeJP NA NA +PJ124203 SCCCDRRR C34H63N17O12S3 997.4005 NA PeJP NA NA +PJ124204 PCCCKKMW C42H67N11O9S4 997.4007 NA PeJP NA NA +PJ124205 CEMHHRW C42H59N15O10S2 997.4011 NA PeJP NA NA +PJ124206 SSSSNKEEM C37H63N11O19S 997.4023 NA PeJP NA NA +PJ124207 DKEEEYW C45H59N9O17 997.4029 NA PeJP NA NA +PJ124208 SVDEMMMR C38H67N11O14S3 997.4031 NA PeJP NA NA +PJ124209 ATEEMMMR C38H67N11O14S3 997.4032 NA PeJP NA NA +PJ124210 GCNDDRRY C38H59N15O15S 997.4036 NA PeJP NA NA +PJ124211 GGGGGGGGGPTMH C38H59N15O15S 997.4037 NA PeJP NA NA +PJ124212 AAPEMMYW C46H63N9O12S2 997.4038 NA PeJP NA NA +PJ124213 APMMMMMR C39H71N11O9S5 997.404 NA PeJP NA NA +PJ124214 GSPNDHWW C46H55N13O13 997.4043 NA PeJP NA NA +PJ124215 GSCCMRRW C39H63N15O10S3 997.4045 NA PeJP NA NA +PJ124216 GCDHHHHR C39H55N19O11S 997.405 NA PeJP NA NA +PJ124217 AMMHHWW C47H59N13O8S2 997.4051 NA PeJP NA NA +PJ124218 TTTTEEMW C42H63N9O17S 997.4063 NA PeJP NA NA +PJ124219 PTEYYYY C50H59N7O15 997.4069 NA PeJP NA NA +PJ124220 GSSSCDMRR C35H63N15O15S2 997.407 NA PeJP NA NA +PJ124221 GTLEMMMW C43H67N9O12S3 997.4072 NA PeJP NA NA +PJ124222 SSSSCRWW C43H59N13O13S 997.4076 NA PeJP NA NA +PJ124223 GGGGDMRYW C43H59N13O13S 997.4077 NA PeJP NA NA +PJ124224 PMMFFYY C51H63N7O10S2 997.4078 NA PeJP NA NA +PJ124225 GCNMMMRR C36H67N15O10S4 997.4079 NA PeJP NA NA +PJ124226 GSNYWWW C51H55N11O11 997.4083 NA PeJP NA NA +PJ124227 STTTTTEEE C38H63N9O22 997.4088 NA PeJP NA NA +PJ124228 NMHHHHW C44H55N17O9S 997.409 NA PeJP NA NA +PJ124229 TTKEEEMM C39H67N9O17S2 997.4097 NA PeJP NA NA +PJ124230 SSSSSSDRW C39H59N13O18 997.4101 NA PeJP NA NA +PJ124231 GGGGSSEERY C39H59N13O18 997.4102 NA PeJP NA NA +PJ124232 PTKEMMMM C40H71N9O12S4 997.4105 NA PeJP NA NA +PJ124233 GGVLEMMMM C40H71N9O12S4 997.4106 NA PeJP NA NA +PJ124234 SSSNMMRW C40H63N13O13S2 997.411 NA PeJP NA NA +PJ124235 LMMMFYY C48H67N7O10S3 997.4112 NA PeJP NA NA +PJ124236 SSQEHHHH C40H55N17O14 997.4115 NA PeJP NA NA +PJ124237 ANQMYWW C48H59N11O11S 997.4116 NA PeJP NA NA +PJ124238 GQQMYWW C48H59N11O11S 997.4117 NA PeJP NA NA +PJ124239 PCCKHHHH C41H59N17O9S2 997.4124 NA PeJP NA NA +PJ124240 SSSSSQEMR C36H63N13O18S 997.4135 NA PeJP NA NA +PJ124241 ASSSSSTWW C44H59N11O16 997.4141 NA PeJP NA NA +PJ124242 GSSSSTTWW C44H59N11O16 997.4142 NA PeJP NA NA +PJ124243 SSQQMMMR C37H67N13O13S3 997.4144 NA PeJP NA NA +PJ124244 ASSSCNHHR C37H59N17O14S 997.4148 NA PeJP NA NA +PJ124245 GSSSCQHHR C37H59N17O14S 997.4149 NA PeJP NA NA +PJ124246 GSTCKMWW C45H63N11O11S2 997.415 NA PeJP NA NA +PJ124247 GGGGGVMMFW C45H63N11O11S2 997.4151 NA PeJP NA NA +PJ124248 NNNQHWW C45H55N15O12 997.4155 NA PeJP NA NA +PJ124249 PPCFYWW C53H59N9O9S 997.4157 NA PeJP NA NA +PJ124250 GSSSSKEMW C41H63N11O16S 997.4175 NA PeJP NA NA +PJ124251 GGGGAKEEMY C41H63N11O16S 997.4176 NA PeJP NA NA +PJ124252 SVEEYWW C49H59N9O14 997.4182 NA PeJP NA NA +PJ124253 GSQKMMMW C42H67N11O11S3 997.4184 NA PeJP NA NA +PJ124254 GPCNEHRW C42H59N15O12S 997.4189 NA PeJP NA NA +PJ124255 PCLMYWW C50H63N9O9S2 997.4191 NA PeJP NA NA +PJ124256 GEHHFWW C50H55N13O10 997.4195 NA PeJP NA NA +PJ124257 GSSSSSTKEE C37H63N11O21 997.42 NA PeJP NA NA +PJ124258 TTTEEMMR C38H67N11O16S2 997.4209 NA PeJP NA NA +PJ124259 GSSSNNNRY C38H59N15O17 997.4214 NA PeJP NA NA +PJ124260 GSSKMYYY C46H63N9O14S 997.4215 NA PeJP NA NA +PJ124261 LQEEMYW C46H63N9O14S 997.4216 NA PeJP NA NA +PJ124262 GLEMMMMR C39H71N11O11S4 997.4218 NA PeJP NA NA +PJ124263 SSTCCRRW C39H63N15O12S2 997.4222 NA PeJP NA NA +PJ124264 GGSPCCRRY C39H63N15O12S2 997.4223 NA PeJP NA NA +PJ124265 TLMMMWW C47H67N9O9S3 997.4224 NA PeJP NA NA +PJ124266 GCQRYWW C47H59N13O10S 997.4229 NA PeJP NA NA +PJ124267 ASPTTTEEY C42H63N9O19 997.424 NA PeJP NA NA +PJ124268 ATKEEEEY C42H63N9O19 997.4241 NA PeJP NA NA +PJ124269 SSSSSCERR C35H63N15O17S 997.4247 NA PeJP NA NA +PJ124270 STTLEMMW C43H67N9O14S2 997.4249 NA PeJP NA NA +PJ124271 GSSNERYW C43H59N13O15 997.4254 NA PeJP NA NA +PJ124272 PVMYYYY C51H63N7O12S 997.4256 NA PeJP NA NA +PJ124273 GVLMMMMW C44H71N9O9S4 997.4258 NA PeJP NA NA +PJ124274 NNMMFRW C44H63N13O10S2 997.4263 NA PeJP NA NA +PJ124275 GSTHHHHW C44H55N17O11 997.4267 NA PeJP NA NA +PJ124276 GGGPNHHHW C44H55N17O11 997.4268 NA PeJP NA NA +PJ124277 SSTTTLEEM C39H67N9O19S 997.4274 NA PeJP NA NA +PJ124278 SLKEEMMM C40H71N9O14S3 997.4283 NA PeJP NA NA +PJ124279 GSSSSTMRW C40H63N13O15S 997.4288 NA PeJP NA NA +PJ124280 PVKMMMMM C41H75N9O9S5 997.4292 NA PeJP NA NA +PJ124281 SNDKYWW C48H59N11O13 997.4294 NA PeJP NA NA +PJ124282 GSCKMMRW C41H67N13O10S3 997.4296 NA PeJP NA NA +PJ124283 GGPCCKMFR C41H67N13O10S3 997.4297 NA PeJP NA NA +PJ124284 GCNQHHFR C41H59N17O11S 997.4301 NA PeJP NA NA +PJ124285 CKMHFFW C49H63N11O8S2 997.4303 NA PeJP NA NA +PJ124286 GSSSSSTTER C36H63N13O20 997.4313 NA PeJP NA NA +PJ124287 GSSSDKMMR C37H67N13O15S2 997.4321 NA PeJP NA NA +PJ124288 GGGGSSSCKKM C37H67N13O15S2 997.4322 NA PeJP NA NA +PJ124289 GNDDEHRR C37H59N17O16 997.4326 NA PeJP NA NA +PJ124290 GGGGGGGGGGGSKH C37H59N17O16 997.4327 NA PeJP NA NA +PJ124291 SSSSKMWW C45H63N11O13S 997.4328 NA PeJP NA NA +PJ124292 GNKMMMMR C38H71N13O10S4 997.433 NA PeJP NA NA +PJ124293 SPPYYWW C53H59N9O11 997.4334 NA PeJP NA NA +PJ124294 GGGGFFFFY C53H59N9O11 997.4335 NA PeJP NA NA +PJ124295 PMMMFRW C46H67N11O8S3 997.4337 NA PeJP NA NA +PJ124296 PCNHRWW C46H59N15O9S 997.4341 NA PeJP NA NA +PJ124297 HHFWWW C54H55N13O7 997.4348 NA PeJP NA NA +PJ124298 SSSSSTKEW C41H63N11O18 997.4353 NA PeJP NA NA +PJ124299 SSTQKMMW C42H67N11O13S2 997.4362 NA PeJP NA NA +PJ124300 NQEEHRW C42H59N15O14 997.4366 NA PeJP NA NA +PJ124301 GGGVDDHRW C42H59N15O14 997.4367 NA PeJP NA NA +PJ124302 ALEMYWW C50H63N9O11S 997.4368 NA PeJP NA NA +PJ124303 SSCCMRRR C35H67N17O11S3 997.4369 NA PeJP NA NA +PJ124304 LMMMMRW C43H71N11O8S4 997.437 NA PeJP NA NA +PJ124305 CCQFRRW C43H63N15O9S2 997.4375 NA PeJP NA NA +PJ124306 STTTTTQQM C38H67N11O18S 997.4386 NA PeJP NA NA +PJ124307 SSSSDKKEM C38H67N11O18S 997.4387 NA PeJP NA NA +PJ124308 GTTLEEYW C46H63N9O16 997.4393 NA PeJP NA NA +PJ124309 STLEMMMR C39H71N11O13S3 997.4395 NA PeJP NA NA +PJ124310 GSNDMRRY C39H63N15O14S 997.44 NA PeJP NA NA +PJ124311 GPTLMMYW C47H67N9O11S2 997.4402 NA PeJP NA NA +PJ124312 SSNRYWW C47H59N13O12 997.4406 NA PeJP NA NA +PJ124313 GGSSRYWW C47H59N13O12 997.4407 NA PeJP NA NA +PJ124314 PMFFFFY C55H63N7O9S 997.4408 NA PeJP NA NA +PJ124315 GVMMMHHR C40H67N15O9S3 997.4409 NA PeJP NA NA +PJ124316 GSMHHHHR C40H59N19O10S 997.4414 NA PeJP NA NA +PJ124317 HHHHHFF C48H55N17O8 997.442 NA PeJP NA NA +PJ124318 GLKEEEMY C43H67N9O16S 997.4427 NA PeJP NA NA +PJ124319 VVEYYYY C51H63N7O14 997.4433 NA PeJP NA NA +PJ124320 GSSSSMMRR C36H67N15O14S2 997.4434 NA PeJP NA NA +PJ124321 SSLLMMMW C44H71N9O11S3 997.4436 NA PeJP NA NA +PJ124322 SQQMRYW C44H63N13O12S 997.444 NA PeJP NA NA +PJ124323 GGGGAAPPMHF C44H63N13O12S 997.4441 NA PeJP NA NA +PJ124324 LMMFFFY C52H67N7O9S2 997.4442 NA PeJP NA NA +PJ124325 VCCCKMRR C37H71N15O9S4 997.4443 NA PeJP NA NA +PJ124326 GQQFFWW C52H59N11O10 997.4447 NA PeJP NA NA +PJ124327 SSSTLLEMM C40H71N9O16S2 997.446 NA PeJP NA NA +PJ124328 ATTTTLEMM C40H71N9O16S2 997.4461 NA PeJP NA NA +MJ099251 Corrugatin C40H63N13O17 997.446487 NA MeJP NA NA +PJ124329 SSSSSTTRW C40H63N13O17 997.4465 NA PeJP NA NA +PJ124330 GGGAPPEEER C40H63N13O17 997.4466 NA PeJP NA NA +PJ124331 VVKEMMMM C41H75N9O11S4 997.4469 NA PeJP NA NA +PJ124332 SSTCKMRW C41H67N13O12S2 997.4474 NA PeJP NA NA +PJ124333 NDDHRRW C41H59N17O13 997.4479 NA PeJP NA NA +PJ124334 GQKMYWW C49H63N11O10S 997.448 NA PeJP NA NA +PJ124335 GGAKMYWW C49H63N11O10S 997.4481 NA PeJP NA NA +PJ124336 SSSSSKEMR C37H67N13O17S 997.4499 NA PeJP NA NA +PJ124337 GSTQKEYW C45H63N11O15 997.4505 NA PeJP NA NA +PJ124338 GGGTTKEYW C45H63N11O15 997.4506 NA PeJP NA NA +PJ124339 SSQKMMMR C38H71N13O12S3 997.4508 NA PeJP NA NA +PJ124340 SPCNEHRR C38H63N17O13S 997.4512 NA PeJP NA NA +PJ124341 GGSPCEHRR C38H63N17O13S 997.4513 NA PeJP NA NA +PJ124342 APCCKKYW C46H67N11O10S2 997.4514 NA PeJP NA NA +PJ124343 GQEHRWW C46H59N15O11 997.4519 NA PeJP NA NA +PJ124344 PCLFFWW C54H63N9O8S 997.4521 NA PeJP NA NA +PJ124345 GSSTTTKMW C42H67N11O15S 997.4539 NA PeJP NA NA +PJ124346 TTLEYWW C50H63N9O13 997.4546 NA PeJP NA NA +PJ124347 GSKKMMMW C43H71N11O10S3 997.4548 NA PeJP NA NA +PJ124348 SCQRRYW C43H63N15O11S 997.4552 NA PeJP NA NA +PJ124349 TCNRRYW C43H63N15O11S 997.4553 NA PeJP NA NA +PJ124350 VVMMFWW C51H67N9O8S2 997.4554 NA PeJP NA NA +PJ124351 GVQHWWW C51H59N13O9 997.4559 NA PeJP NA NA +PJ124352 SSSSSSSLKE C38H67N11O20 997.4564 NA PeJP NA NA +PJ124353 GSSTKKEMM C39H71N11O15S2 997.4573 NA PeJP NA NA +PJ124354 TTQQQQQH C39H63N15O16 997.4577 NA PeJP NA NA +PJ124355 SSSNERRY C39H63N15O16 997.4578 NA PeJP NA NA +PJ124356 LKEEMYW C47H67N9O13S 997.4579 NA PeJP NA NA +PJ124357 PPPLEEMW C47H67N9O13S 997.458 NA PeJP NA NA +PJ124358 SVLMMMMR C40H75N11O10S4 997.4582 NA PeJP NA NA +PJ124359 PVFFYYY C55H63N7O11 997.4586 NA PeJP NA NA +PJ124360 GGGGPVMMHR C40H67N15O11S2 997.4587 NA PeJP NA NA +PJ124361 SSTHHHHR C40H59N19O12 997.4591 NA PeJP NA NA +PJ124362 GCKRYWW C48H63N13O9S 997.4593 NA PeJP NA NA +PJ124363 STLKEEEY C43H67N9O18 997.4604 NA PeJP NA NA +PJ124364 GPPVLEEEE C43H67N9O18 997.4605 NA PeJP NA NA +PJ124365 SSSSSTMRR C36H67N15O16S 997.4611 NA PeJP NA NA +PJ124366 SPLKEMMY C44H71N9O13S2 997.4613 NA PeJP NA NA +PJ124367 GSSDKRYW C44H63N13O14 997.4618 NA PeJP NA NA +PJ124368 VLMFYYY C52H67N7O11S 997.4619 NA PeJP NA NA +PJ124369 SSCKMMRR C37H71N15O11S3 997.462 NA PeJP NA NA +PJ124370 GNNNMHRR C37H63N19O12S 997.4625 NA PeJP NA NA +PJ124371 CQKMFRW C45H67N13O9S2 997.4627 NA PeJP NA NA +PJ124372 PEHHHRW C45H59N17O10 997.4631 NA PeJP NA NA +PJ124373 TTTTTTLEM C40H71N9O18S 997.4638 NA PeJP NA NA +PJ124374 GTTTLLMMM C41H75N9O13S3 997.4647 NA PeJP NA NA +PJ124375 ATTQQMRY C41H67N13O14S 997.4651 NA PeJP NA NA +PJ124376 GSQKEMRY C41H67N13O14S 997.4652 NA PeJP NA NA +PJ124377 STQKYWW C49H63N11O12 997.4658 NA PeJP NA NA +PJ124378 PPVMMMHR C42H71N13O9S3 997.466 NA PeJP NA NA +PJ124379 GSPCHRRW C42H63N17O10S 997.4665 NA PeJP NA NA +PJ124380 QHRWWW C50H59N15O8 997.4671 NA PeJP NA NA +PJ124381 GAHRWWW C50H59N15O8 997.4672 NA PeJP NA NA +PJ124382 SSSSSSSTLR C37H67N13O19 997.4676 NA PeJP NA NA +PJ124383 GGSSSSSSSKK C37H67N13O19 997.4677 NA PeJP NA NA +PJ124384 GSSTTKMMR C38H71N13O14S2 997.4685 NA PeJP NA NA +PJ124385 GSQEEHRR C38H63N17O15 997.469 NA PeJP NA NA +PJ124386 TLEMRYW C46H67N11O12S 997.4692 NA PeJP NA NA +PJ124387 ACKKMMMR C39H75N13O9S4 997.4694 NA PeJP NA NA +PJ124388 APLYYWW C54H63N9O10 997.4698 NA PeJP NA NA +PJ124389 CNMRRRY C39H67N17O10S2 997.4699 NA PeJP NA NA +PJ124390 CLHHFRW C47H63N15O8S 997.4705 NA PeJP NA NA +PJ124391 SSSTTTTKW C42H67N11O17 997.4717 NA PeJP NA NA +PJ124392 SSTKKMMW C43H71N11O12S2 997.4725 NA PeJP NA NA +PJ124393 GVLEMMRY C43H71N11O12S2 997.4726 NA PeJP NA NA +PJ124394 GSSSRRYW C43H63N15O13 997.473 NA PeJP NA NA +PJ124395 SLLMYWW C51H67N9O10S 997.4732 NA PeJP NA NA +PJ124396 CCKFRRW C44H67N15O8S2 997.4739 NA PeJP NA NA +PJ124397 QHHHHFR C44H59N19O9 997.4744 NA PeJP NA NA +PJ124398 SSSTTKKEM C39H71N11O17S 997.475 NA PeJP NA NA +PJ124399 SSTLLEYW C47H67N9O15 997.4757 NA PeJP NA NA +PJ124400 SDKKKMMM C40H75N11O12S3 997.4759 NA PeJP NA NA +PJ124401 GSTQMRRY C40H67N15O13S 997.4764 NA PeJP NA NA +PJ124402 AALLMMYW C48H71N9O10S2 997.4766 NA PeJP NA NA +PJ124403 PPQERWW C48H63N13O11 997.477 NA PeJP NA NA +PJ124404 GAPPERWW C48H63N13O11 997.4771 NA PeJP NA NA +PJ124405 LMFFFFF C56H67N7O8S 997.4772 NA PeJP NA NA +PJ124406 SVLKEEMY C44H71N9O15S 997.4791 NA PeJP NA NA +PJ124407 TLLYYYY C52H67N7O13 997.4797 NA PeJP NA NA +PJ124408 PVVKMMMY C45H75N9O10S3 997.4799 NA PeJP NA NA +PJ124409 GGVLLMMMF C45H75N9O10S3 997.48 NA PeJP NA NA +PJ124410 GSDDHRRR C37H63N19O14 997.4802 NA PeJP NA NA +PJ124411 GGGGGGSTHRR C37H63N19O14 997.4803 NA PeJP NA NA +PJ124412 SQKMRYW C45H67N13O11S 997.4804 NA PeJP NA NA +PJ124413 PPVQWWW C53H63N11O9 997.4811 NA PeJP NA NA +PJ124414 STTTTLLMM C41H75N9O15S2 997.4824 NA PeJP NA NA +PJ124415 SSTQKERY C41H67N13O16 997.4829 NA PeJP NA NA +PJ124416 GGGGGGGGAPLLE C41H67N13O16 997.483 NA PeJP NA NA +PJ124417 TLLKMMMM C42H79N9O10S4 997.4833 NA PeJP NA NA +PJ124418 LEMMRRY C42H71N13O11S2 997.4838 NA PeJP NA NA +PJ124419 SQEHRRW C42H63N17O12 997.4843 NA PeJP NA NA +PJ124420 GKKMYWW C50H67N11O9S 997.4844 NA PeJP NA NA +PJ124421 SSSTTTKMR C38H71N13O16S 997.4863 NA PeJP NA NA +PJ124422 GSTKKEYW C46H67N11O14 997.4869 NA PeJP NA NA +PJ124423 GGPPVKEEW C46H67N11O14 997.487 NA PeJP NA NA +PJ124424 SSKKMMMR C39H75N13O11S3 997.4872 NA PeJP NA NA +PJ124425 GSTCRRRY C39H67N17O12S 997.4876 NA PeJP NA NA +PJ124426 GGGGGGPPMRR C39H67N17O12S 997.4877 NA PeJP NA NA +PJ124427 VLMMRYW C47H71N11O9S2 997.4878 NA PeJP NA NA +PJ124428 GKEHRWW C47H63N15O10 997.4883 NA PeJP NA NA +PJ124429 SSLLEMRY C43H71N11O14S 997.4903 NA PeJP NA NA +PJ124430 GSPLLYYW C51H67N9O12 997.4909 NA PeJP NA NA +PJ124431 PLKEYYW C51H67N9O12 997.491 NA PeJP NA NA +PJ124432 GLLMMMFR C44H75N11O9S3 997.4912 NA PeJP NA NA +PJ124433 SCKRRYW C44H67N15O10S 997.4916 NA PeJP NA NA +PJ124434 SPPPCRRW C44H67N15O10S 997.4917 NA PeJP NA NA +PJ124435 APPRWWW C52H63N13O8 997.4923 NA PeJP NA NA +PJ124436 SSSSSTTTLK C39H71N11O19 997.4928 NA PeJP NA NA +PJ124437 SSSSLKKMM C40H75N11O14S2 997.4937 NA PeJP NA NA +PJ124438 SSSDKRRY C40H67N15O15 997.4941 NA PeJP NA NA +PJ124439 SPPQEERR C40H67N15O15 997.4942 NA PeJP NA NA +PJ124440 ATTLLMYW C48H71N9O12S 997.4943 NA PeJP NA NA +PJ124441 VCKKKMMM C41H79N11O9S4 997.4945 NA PeJP NA NA +PJ124442 AKKKMMMM C41H79N11O9S4 997.4946 NA PeJP NA NA +PJ124443 VLFFFYY C56H67N7O10 997.495 NA PeJP NA NA +PJ124444 GVQQHHHR C41H63N19O11 997.4955 NA PeJP NA NA +PJ124445 LKMHHFW C49H67N13O8S 997.4957 NA PeJP NA NA +PJ124446 SSSSLLLEY C44H71N9O17 997.4968 NA PeJP NA NA +PJ124447 ALLKEMMY C45H75N9O12S2 997.4977 NA PeJP NA NA +PJ124448 GSTTKRYW C45H67N13O13 997.4982 NA PeJP NA NA +PJ124449 NEMHRRR C38H67N19O11S 997.4989 NA PeJP NA NA +PJ124450 CKKMFRW C46H71N13O8S2 997.499 NA PeJP NA NA +PJ124451 GTHRRWW C46H63N17O9 997.4995 NA PeJP NA NA +PJ124452 GSKKEMRY C42H71N13O13S 997.5015 NA PeJP NA NA +PJ124453 ALLEEMHR C42H71N13O13S 997.5016 NA PeJP NA NA +PJ124454 STKKYWW C50H67N11O11 997.5022 NA PeJP NA NA +PJ124455 VNMHRRW C43H67N17O9S 997.5029 NA PeJP NA NA +PJ124456 KHRWWW C51H63N15O7 997.5035 NA PeJP NA NA +8313 Anticancer peptide NENLLRFFVAPFPEVFG 997.5044 MH2+ Inhouse_peptide NA peptide +PJ124457 SSSCCKKKK C39H75N13O13S2 997.5049 NA PeJP NA NA +PJ124458 SSSSRRRY C39H67N17O14 997.5054 NA PeJP NA NA +PJ124459 DKKKMYW C47H71N11O11S 997.5056 NA PeJP NA NA +PJ124460 ALLFYWW C55H67N9O9 997.5062 NA PeJP NA NA +PJ124461 APCKMHRR C40H71N17O9S2 997.5063 NA PeJP NA NA +PJ124462 QQHHHRR C40H63N21O10 997.5067 NA PeJP NA NA +PJ124463 SSSPTTKKY C43H71N11O16 997.508 NA PeJP NA NA +PJ124464 SSKKKEEY C43H71N11O16 997.5081 NA PeJP NA NA +PJ124465 ATLLMMRY C44H75N11O11S2 997.5089 NA PeJP NA NA +PJ124466 GGAPPPLKMM C44H75N11O11S2 997.509 NA PeJP NA NA +PJ124467 GPPTERRW C44H67N15O12 997.5094 NA PeJP NA NA +PJ124468 AALLMFFW C52H71N9O9S 997.5096 NA PeJP NA NA +PJ124469 CDHRRRR C37H67N21O10S 997.5101 NA PeJP NA NA +PJ124470 KHHHHFR C45H63N19O8 997.5108 NA PeJP NA NA +PJ124471 STTTTTKKM C40H75N11O16S 997.5114 NA PeJP NA NA +PJ124472 TTTTLLYW C48H71N9O14 997.5121 NA PeJP NA NA +PJ124473 TTKKKMMM C41H79N11O11S3 997.5123 NA PeJP NA NA +PJ124474 GSTKMRRY C41H71N15O12S 997.5128 NA PeJP NA NA +PJ124475 PVVKMMFF C49H75N9O9S2 997.513 NA PeJP NA NA +PJ124476 PPKERWW C49H67N13O10 997.5134 NA PeJP NA NA +PJ124477 GMHRRRW C42H67N19O8S 997.5141 NA PeJP NA NA +PJ124478 SSVVVTLMY C45H75N9O14S 997.5154 NA PeJP NA NA +PJ124479 TTLLKEMY C45H75N9O14S 997.5155 NA PeJP NA NA +PJ124480 VVLKMMMF C46H79N9O9S3 997.5163 NA PeJP NA NA +PJ124481 GSTEHRRR C38H67N19O13 997.5166 NA PeJP NA NA +PJ124482 SKKMRYW C46H71N13O10S 997.5168 NA PeJP NA NA +PJ124483 PPVKWWW C54H67N11O8 997.5175 NA PeJP NA NA +PJ124484 SSTKKERY C42H71N13O15 997.5193 NA PeJP NA NA +PJ124485 AAKKMMRY C43H75N13O10S2 997.5202 NA PeJP NA NA +PJ124486 SKEHRRW C43H67N17O11 997.5206 NA PeJP NA NA +PJ124487 GGAAPQRRW C43H67N17O11 997.5207 NA PeJP NA NA +PJ124488 LLLMHWW C51H71N11O8S 997.5208 NA PeJP NA NA +PJ124489 SSSLKKYW C47H71N11O13 997.5233 NA PeJP NA NA +PJ124490 GPPEMRRR C40H71N17O11S 997.524 NA PeJP NA NA +PJ124491 KKKMMFW C48H75N11O8S2 997.5242 NA PeJP NA NA +PJ124492 PPTRRWW C48H67N15O9 997.5247 NA PeJP NA NA +PJ124493 TTTLLMRY C44H75N11O13S 997.5267 NA PeJP NA NA +PJ124494 LLLQYYW C52H71N9O11 997.5273 NA PeJP NA NA +PJ124495 PPPLLEFW C52H71N9O11 997.5274 NA PeJP NA NA +PJ124496 GPPVMRRW C45H71N15O9S 997.528 NA PeJP NA NA +PJ124497 SSTTKRRY C41H71N15O14 997.5305 NA PeJP NA NA +PJ124498 GGPVVEERR C41H71N15O14 997.5306 NA PeJP NA NA +PJ124499 PPLLLEMW C49H75N9O11S 997.5307 NA PeJP NA NA +PJ124500 APKKMMHR C42H75N15O9S2 997.5314 NA PeJP NA NA +PJ124501 STHRRRW C42H67N19O10 997.5319 NA PeJP NA NA +PJ124502 SSTTTLLLY C45H75N9O16 997.5332 NA PeJP NA NA +PJ124503 SLLLKMMY C46H79N9O11S2 997.5341 NA PeJP NA NA +PJ124504 VLERRYY C46H71N13O12 997.5345 NA PeJP NA NA +MJ099252 Bradykinin potentiator A C46H71N13O12 997.534514 NA MeJP NA NA +PJ124505 SPPVKERW C46H71N13O12 997.5346 NA PeJP NA NA +PJ124506 DKMHRRR C39H71N19O10S 997.5352 NA PeJP NA NA +PJ124507 AATMHRRR C39H71N19O10S 997.5353 NA PeJP NA NA +PJ124508 LLHHHRW C47H67N17O8 997.5359 NA PeJP NA NA +PJ124509 ATTKKMRY C43H75N13O12S 997.5379 NA PeJP NA NA +PJ124510 GGGGGPPLKKM C43H75N13O12S 997.538 NA PeJP NA NA +PJ124511 APPTLKWW C51H71N11O10 997.5386 NA PeJP NA NA +PJ124512 PPMRRRW C44H71N17O8S 997.5393 NA PeJP NA NA +PJ124513 GPVEERRR C40H71N17O13 997.5418 NA PeJP NA NA +PJ124514 SVLLLMHW C48H75N11O10S 997.542 NA PeJP NA NA +PJ124515 QKHHHRR C41H67N21O9 997.5431 NA PeJP NA NA +PJ124516 TTTKKKEY C44H75N11O15 997.5444 NA PeJP NA NA +PJ124517 PLLLEEER C44H75N11O15 997.5445 NA PeJP NA NA +PJ124518 GLKKKMMY C45H79N11O10S2 997.5453 NA PeJP NA NA +PJ124519 AAPLERRW C45H71N15O11 997.5458 NA PeJP NA NA +PJ124520 SMHRRRR C38H71N21O9S 997.5465 NA PeJP NA NA +PJ124521 PVLLLEEW C49H75N9O13 997.5485 NA PeJP NA NA +PJ124522 PPVDKMRR C42H75N15O11S 997.5492 NA PeJP NA NA +PJ124523 PLLQRWW C50H71N13O9 997.5498 NA PeJP NA NA +PJ124524 SPPILLLDM C46H79N9O13S 997.5518 NA PeJP NA NA +PJ124525 SPPVLLLEM C46H79N9O13S 997.5519 NA PeJP NA NA +PJ124526 PEERRRR C39H71N19O12 997.553 NA PeJP NA NA +PJ124527 APPLKMRW C47H75N13O9S 997.5532 NA PeJP NA NA +PJ124528 TTTTKKRY C43H75N13O14 997.5557 NA PeJP NA NA +PJ124529 VVLLMMHR C44H79N13O9S2 997.5566 NA PeJP NA NA +PJ124530 PVERRRW C44H71N17O10 997.557 NA PeJP NA NA +PJ124531 PPTLKKEW C48H75N11O12 997.5597 NA PeJP NA NA +PJ124532 SPPVMRRR C41H75N17O10S 997.5604 NA PeJP NA NA +PJ124533 PVVRRWW C49H71N15O8 997.5611 NA PeJP NA NA +PJ124534 STLKKKMY C45H79N11O12S 997.5631 NA PeJP NA NA +PJ124535 LLLKYYW C53H75N9O10 997.5637 NA PeJP NA NA +PJ124536 GSPNRRRR C38H71N21O11 997.5642 NA PeJP NA NA +PJ124537 GGGSPRRRR C38H71N21O11 997.5643 NA PeJP NA NA +PJ124538 LKKMHRW C46H75N15O8S 997.5644 NA PeJP NA NA +PJ124539 APLKEERR C42H75N15O13 997.5669 NA PeJP NA NA +PJ124540 GGGGGGAALLLR C42H75N15O13 997.567 NA PeJP NA NA +PJ124541 ALLLKMFY C50H79N9O10S 997.5671 NA PeJP NA NA +PJ124542 VQHFRRR C43H71N19O9 997.5683 NA PeJP NA NA +PJ124543 APTLLLLEE C46H79N9O15 997.5696 NA PeJP NA NA +PJ124544 APPLLLLMM C47H83N9O10S2 997.5705 NA PeJP NA NA +PJ124545 PPTTLKRW C47H75N13O11 997.5709 NA PeJP NA NA +PJ124546 GPLLKERW C47H75N13O11 997.571 NA PeJP NA NA +PJ124547 PPLKKEMR C44H79N13O11S 997.5743 NA PeJP NA NA +PJ124548 GPVLLKWW C52H75N11O9 997.575 NA PeJP NA NA +PJ124549 VTTTKHRR C41H75N17O12 997.5781 NA PeJP NA NA +PJ124550 APTLERRR C41H75N17O12 997.5782 NA PeJP NA NA +PJ124551 PPVLKKMW C49H79N11O9S 997.5783 NA PeJP NA NA +PJ124552 AHFRRRR C42H71N21O8 997.5795 NA PeJP NA NA +PJ124553 STTTLLLLH C45H79N11O14 997.5808 NA PeJP NA NA +PJ124554 AAPILKKEE C45H79N11O14 997.5809 NA PeJP NA NA +PJ124555 LLLLKMMH C46H83N11O9S2 997.5817 NA PeJP NA NA +PJ124556 GPTLLRRW C46H75N15O10 997.5822 NA PeJP NA NA +PJ124557 SVLLLKYY C50H79N9O12 997.5849 NA PeJP NA NA +PJ124558 PPTLKMRR C43H79N15O10S 997.5855 NA PeJP NA NA +PJ124559 PVVLQMRR C43H79N15O10S 997.5856 NA PeJP NA NA +PJ124560 PLLKRWW C51H75N13O8 997.5862 NA PeJP NA NA +PJ124561 GPLLLLLEM C47H83N9O12S 997.5882 NA PeJP NA NA +PJ124562 GPTQKRRR C40H75N19O11 997.5894 NA PeJP NA NA +PJ124563 PVLKKEER C44H79N13O13 997.5921 NA PeJP NA NA +PJ124564 PQKKRRW C45H75N17O9 997.5934 NA PeJP NA NA +PJ124565 PVVLKKEW C49H79N11O11 997.5961 NA PeJP NA NA +PJ124566 GPLLMRRR C42H79N17O9S 997.5968 NA PeJP NA NA +PJ124567 APPTLLKKM C46H83N11O11S 997.5995 NA PeJP NA NA +PJ124568 PPLLLLFW C54H79N9O9 997.6001 NA PeJP NA NA +PJ124569 VQQRRRR C39H75N21O10 997.6006 NA PeJP NA NA +PJ124570 SPLLKERR C43H79N15O12 997.6033 NA PeJP NA NA +PJ124571 PLLLLLMW C51H83N9O9S 997.6035 NA PeJP NA NA +PJ124572 VKHFRRR C44H75N19O8 997.6047 NA PeJP NA NA +PJ124573 GVLLLLLEE C47H83N9O14 997.606 NA PeJP NA NA +PJ124574 SPVLLKRW C48H79N13O10 997.6073 NA PeJP NA NA +PJ124575 PLLLQKMR C45H83N13O10S 997.6107 NA PeJP NA NA +PJ124576 AQRRRRR C38H75N23O9 997.6119 NA PeJP NA NA +PJ124577 AVVLERRR C42H79N17O11 997.6145 NA PeJP NA NA +PJ124578 GVLLERRR C42H79N17O11 997.6146 NA PeJP NA NA +PJ124579 LLLLLEER C46H83N11O13 997.6172 NA PeJP NA NA +PJ124580 AALLLRRW C47H79N15O9 997.6186 NA PeJP NA NA +PJ124581 GPPILLLLY C51H83N9O11 997.6212 NA PeJP NA NA +PJ124582 VLLLLLEW C51H83N9O11 997.6213 NA PeJP NA NA +PJ124583 PVVLKMRR C44H83N15O9S 997.6219 NA PeJP NA NA +PJ124584 SPVLLLLLM C48H87N9O11S 997.6246 NA PeJP NA NA +PJ124585 LLERRRR C41H79N19O10 997.6258 NA PeJP NA NA +PJ124586 VLLLQKER C45H83N13O12 997.6285 NA PeJP NA NA +PJ124587 VLLRRRW C46H79N17O8 997.6298 NA PeJP NA NA +PJ124588 PTLLLKKW C50H83N11O10 997.6325 NA PeJP NA NA +PJ124589 GPVLLLKKM C47H87N11O10S 997.6359 NA PeJP NA NA +PJ124590 VQKRRRR C40H79N21O9 997.637 NA PeJP NA NA +PJ124591 ALLLKERR C44H83N15O11 997.6397 NA PeJP NA NA +PJ124592 ATLLLLLLE C48H87N9O13 997.6424 NA PeJP NA NA +PJ124593 GLLLLKRW C49H83N13O9 997.6437 NA PeJP NA NA +PJ124594 PLLLKKMR C46H87N13O9S 997.6471 NA PeJP NA NA +PJ124595 AKRRRRR C39H79N23O8 997.6482 NA PeJP NA NA +PJ124596 ATLLLRRR C43H83N17O10 997.6509 NA PeJP NA NA +PJ124597 AALLLLKKE C47H87N11O12 997.6536 NA PeJP NA NA +PJ124598 GPLLLLLLF C52H87N9O10 997.6576 NA PeJP NA NA +PJ124599 GLLLLLLLM C49H91N9O10S 997.661 NA PeJP NA NA +PJ124600 AALKKRRR C42H83N19O9 997.6622 NA PeJP NA NA +PJ124601 VLLLKKER C46H87N13O11 997.6648 NA PeJP NA NA +PJ124602 LLLLDKKR C46H87N13O11 997.6649 NA PeJP NA NA +PJ124603 VVLLLKKW C51H87N11O9 997.6689 NA PeJP NA NA +PJ124604 VKKRRRR C41H83N21O8 997.6734 NA PeJP NA NA +PJ124605 SLLLLKRR C45H87N15O10 997.6761 NA PeJP NA NA +PJ124606 STLLLLLLL C49H91N9O12 997.6788 NA PeJP NA NA +PJ124607 GLLKKKRR C44H87N17O9 997.6873 NA PeJP NA NA +PJ124608 GTLLLLLKK C48H91N11O11 997.69 NA PeJP NA NA +PJ124609 LLLQKKKK C47H91N13O10 997.7012 NA PeJP NA NA +PJ124610 VVLKKKKR C46H91N15O9 997.7125 NA PeJP NA NA +PJ124611 LLLKKKKK C48H95N13O9 997.7376 NA PeJP NA NA +MJ099253 Aplysinellin A C31H29Br3N4O13S3 997.844337 NA MeJP NA NA +PJ124612 GSCCCCCCCD C30H50N10O14S7 998.1553 NA PeJP NA NA +PJ124613 CCCCCCCQM C31H54N10O11S8 998.174 NA PeJP NA NA +PJ124614 CCCCCCCCR C30H54N12O10S8 998.1852 NA PeJP NA NA +PJ124615 GSSCCCCCCM C31H54N10O13S7 998.1917 NA PeJP NA NA +PJ124616 SSSTCCCCCC C31H54N10O15S6 998.2095 NA PeJP NA NA +PJ124617 CCCCCCCKM C32H58N10O10S8 998.2104 NA PeJP NA NA +PJ124618 GCCCCCNMY C35H54N10O12S6 998.2247 NA PeJP NA NA +PJ124619 SCCCCNDDH C33H50N12O16S4 998.2351 NA PeJP NA NA +PJ124620 PCCCCCCQH C34H54N12O11S6 998.236 NA PeJP NA NA +PJ124621 PCCCNDDDD C34H50N10O19S3 998.2416 NA PeJP NA NA +PJ124622 SSCCCCCQY C35H54N10O14S5 998.2425 NA PeJP NA NA +PJ124623 CCCDDDYY C39H50N8O17S3 998.2456 NA PeJP NA NA +PJ124624 CCCDMMMY C37H58N8O12S6 998.2499 NA PeJP NA NA +PJ124625 GCCCCNEMH C34H54N12O13S5 998.2537 NA PeJP NA NA +PJ124626 GCCCCCNFF C39H54N10O11S5 998.2577 NA PeJP NA NA +PJ124627 GGGCCCCCFF C39H54N10O11S5 998.2578 NA PeJP NA NA +PJ124628 GCNDDDDDM C34H50N10O21S2 998.2594 NA PeJP NA NA +PJ124629 GSSSSCCCCY C35H54N10O16S4 998.2602 NA PeJP NA NA +PJ124630 GSPPCCCCDD C35H54N10O16S4 998.2603 NA PeJP NA NA +PJ124631 ACCCCCCKY C36H58N10O11S6 998.2611 NA PeJP NA NA +PJ124632 CCCDDMFY C40H54N8O14S4 998.2643 NA PeJP NA NA +PJ124633 GCCCCCDHR C33H54N14O12S5 998.265 NA PeJP NA NA +PJ124634 CCCMMMMF C38H62N8O9S7 998.2685 NA PeJP NA NA +PJ124635 CCCCNMHW C38H54N12O10S5 998.269 NA PeJP NA NA +MJ099254 Rubradirin C48H46N4O20 998.270539 NA MeJP NA NA +PJ124636 SCCNNNDDD C33H50N12O20S2 998.2706 NA PeJP NA NA +PJ124637 SSCCCNDMH C34H54N12O15S4 998.2715 NA PeJP NA NA +PJ124638 PCCCCCCKH C35H58N12O10S6 998.2724 NA PeJP NA NA +PJ124639 CCNDDDEW C38H50N10O18S2 998.2746 NA PeJP NA NA +PJ124640 GGCCDDDEW C38H50N10O18S2 998.2747 NA PeJP NA NA +PJ124641 CCCCNQYY C39H54N10O13S4 998.2755 NA PeJP NA NA +PJ124642 SSCNDDDDE C34H50N10O23S 998.2771 NA PeJP NA NA +PJ124643 GGSSCDDDDE C34H50N10O23S 998.2772 NA PeJP NA NA +PJ124644 SPCCNDDDM C35H54N10O18S3 998.278 NA PeJP NA NA +PJ124645 SSCCCCCKY C36H58N10O13S5 998.2789 NA PeJP NA NA +PJ124646 SCCDDMYY C40H54N8O16S3 998.282 NA PeJP NA NA +PJ124647 CCCDMMFF C41H58N8O11S5 998.2829 NA PeJP NA NA +MJ099255 Sucrose; 6-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 1',3',6'-tris-O-(4-hydroxy-E-cinnamoyl), 2-Ac C51H50O21 998.284458 NA MeJP NA NA +MJ099256 Sucrose; 6-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 1',3',6'-tris-O-(4-hydroxy-E-cinnamoyl), 3-Ac C51H50O21 998.284458 NA MeJP NA NA +PJ124648 DDDDEEMM C36H54N8O21S2 998.2845 NA PeJP NA NA +PJ124649 SCCMMMMY C38H62N8O11S6 998.2863 NA PeJP NA NA +PJ124650 GSTCCCCHW C38H54N12O12S4 998.2867 NA PeJP NA NA +PJ124651 GGGPCCCCNW C38H54N12O12S4 998.2868 NA PeJP NA NA +PJ124652 GSSSSCCCEH C34H54N12O17S3 998.2892 NA PeJP NA NA +PJ124653 GGGCCNNDEM C34H54N12O17S3 998.2893 NA PeJP NA NA +PJ124654 GCCDDDWW C42H50N10O15S2 998.2899 NA PeJP NA NA +PJ124655 PPCCCCCDR C35H58N12O12S5 998.2901 NA PeJP NA NA +PJ124656 GSSCDDDDW C38H50N10O20S 998.2924 NA PeJP NA NA +PJ124657 GSPCCCDEW C39H54N10O15S3 998.2933 NA PeJP NA NA +PJ124658 GPPCCCCMW C40H58N10O10S5 998.2941 NA PeJP NA NA +PJ124659 GSSSSDDDDD C34H50N10O25 998.2949 NA PeJP NA NA +PJ124660 GSNDDDDMM C35H54N10O20S2 998.2958 NA PeJP NA NA +PJ124661 GPCCNDEMM C36H58N10O15S4 998.2966 NA PeJP NA NA +PJ124662 GGGPCCDEMM C36H58N10O15S4 998.2967 NA PeJP NA NA +PJ124663 CCCDDFFF C44H54N8O13S3 998.2973 NA PeJP NA NA +PJ124664 CCCEMHHH C37H54N14O11S4 998.298 NA PeJP NA NA +PJ124665 DDDDDEEF C39H50N8O23 998.2989 NA PeJP NA NA +PJ124666 GCCCNNDDR C33H54N14O16S3 998.3005 NA PeJP NA NA +PJ124667 GCCEMMYY C41H58N8O13S4 998.3007 NA PeJP NA NA +PJ124668 GSCCCCMHR C34H58N14O11S5 998.3014 NA PeJP NA NA +PJ124669 CCCCHHFF C42H54N12O9S4 998.302 NA PeJP NA NA +PJ124670 DDDDDMHH C37H50N12O19S 998.3036 NA PeJP NA NA +PJ124671 SSSSCCCHW C38H54N12O14S3 998.3045 NA PeJP NA NA +PJ124672 GSCCDDDER C34H54N12O19S2 998.307 NA PeJP NA NA +PJ124673 GPCCCDDMR C35H58N12O14S4 998.3079 NA PeJP NA NA +PJ124674 SPCCCDWW C43H54N10O12S3 998.3085 NA PeJP NA NA +PJ124675 NNDDDDEY C38H50N10O22 998.3102 NA PeJP NA NA +PJ124676 SCNDDEMW C39H54N10O17S2 998.311 NA PeJP NA NA +PJ124677 PCCNDMMW C40H58N10O12S4 998.3119 NA PeJP NA NA +PJ124678 SSSNDDDEM C35H54N10O22S 998.3135 NA PeJP NA NA +PJ124679 NNDDEMMM C36H58N10O17S3 998.3144 NA PeJP NA NA +PJ124680 GSCNDDDHH C36H50N14O18S 998.3149 NA PeJP NA NA +PJ124681 GCCDEFYY C44H54N8O15S2 998.315 NA PeJP NA NA +PJ124682 SCEMMMMH C37H62N10O12S5 998.3153 NA PeJP NA NA +PJ124683 GPCCCNEHH C37H54N14O13S3 998.3157 NA PeJP NA NA +PJ124684 GGGPCCCEHH C37H54N14O13S3 998.3158 NA PeJP NA NA +PJ124685 CCMMYYW C45H58N8O10S4 998.3159 NA PeJP NA NA +PJ124686 PDDDDEMY C40H54N8O20S 998.3176 NA PeJP NA NA +PJ124687 GSSSCCNNNN C33H54N14O18S2 998.3182 NA PeJP NA NA +PJ124688 GGGGGGGSSSCCN C33H54N14O18S2 998.3183 NA PeJP NA NA +PJ124689 SSCDMMYY C41H58N8O15S3 998.3184 NA PeJP NA NA +PJ124690 SSTCCCCHR C34H58N14O13S4 998.3191 NA PeJP NA NA +PJ124691 ACCMMMFY C42H62N8O10S5 998.3193 NA PeJP NA NA +PJ124692 GCCCNQWW C42H54N12O11S3 998.3198 NA PeJP NA NA +MJ099257 Antibiotic BU 4726G; Antibiotic BU 4726G-B C52H54O20 998.320844 NA MeJP NA NA +PJ124693 SDEEEEMM C37H58N8O20S2 998.3209 NA PeJP NA NA +PJ124694 GPNDDDDDH C37H50N12O21 998.3214 NA PeJP NA NA +PJ124695 PDDEMMMM C38H62N8O15S4 998.3218 NA PeJP NA NA +PJ124696 GSTCCNNDW C38H54N12O16S2 998.3222 NA PeJP NA NA +PJ124697 SCCDDDRW C38H54N12O16S2 998.3223 NA PeJP NA NA +PJ124698 PCCCCERW C39H58N12O11S4 998.3231 NA PeJP NA NA +PJ124699 SSSCDDDDR C34H54N12O21S 998.3248 NA PeJP NA NA +PJ124700 GNDDDDYW C42H50N10O19 998.3254 NA PeJP NA NA +PJ124701 CNDDDMMR C35H58N12O16S3 998.3256 NA PeJP NA NA +PJ124702 GGGGGGGSCEMM C35H58N12O16S3 998.3257 NA PeJP NA NA +PJ124703 GSCDDMWW C43H54N10O14S2 998.3263 NA PeJP NA NA +PJ124704 SPPCCCCMR C36H62N12O11S5 998.3265 NA PeJP NA NA +PJ124705 APCCCMWW C44H58N10O9S4 998.3272 NA PeJP NA NA +PJ124706 GSSSDDDMW C39H54N10O19S 998.3288 NA PeJP NA NA +PJ124707 VCCNDEMW C40H58N10O14S3 998.3296 NA PeJP NA NA +PJ124708 GNDDMMMW C40H58N10O14S3 998.3297 NA PeJP NA NA +MJ099258 Chlorothricin; 3C-Dechloro, 3C-bromo C50H63BrO16 998.329948 NA MeJP NA NA +PJ124709 CCDFYYW C48H54N8O12S2 998.3303 NA PeJP NA NA +PJ124710 PCCMMMHF C41H62N10O9S5 998.3305 NA PeJP NA NA +PJ124711 PCCCNHHW C41H54N14O10S3 998.331 NA PeJP NA NA +PJ124712 GSSSSSDDEE C35H54N10O24 998.3313 NA PeJP NA NA +PJ124713 GSTCDQEEM C36H58N10O19S2 998.3321 NA PeJP NA NA +PJ124714 GSSNDEEMM C36H58N10O19S2 998.3322 NA PeJP NA NA +PJ124715 GSCDEYYY C44H54N8O17S 998.3328 NA PeJP NA NA +PJ124716 GSPCNEMMM C37H62N10O14S4 998.333 NA PeJP NA NA +PJ124717 GCCNNNNNF C37H54N14O15S2 998.3335 NA PeJP NA NA +PJ124718 GPCCMYYY C45H58N8O12S3 998.3337 NA PeJP NA NA +PJ124719 GMMMMMMH C38H66N10O9S6 998.3339 NA PeJP NA NA +PJ124720 CCCCQHFR C38H58N14O10S4 998.3344 NA PeJP NA NA +PJ124721 GDEEEEEY C40H54N8O22 998.3353 NA PeJP NA NA +PJ124722 PDDDEMMF C41H58N8O17S2 998.3362 NA PeJP NA NA +PJ124723 CCCDDERR C34H58N14O15S3 998.3369 NA PeJP NA NA +PJ124724 GTCMMMYY C42H62N8O12S4 998.337 NA PeJP NA NA +PJ124725 SSCCNNWW C42H54N12O13S2 998.3375 NA PeJP NA NA +PJ124726 AEEEEMMM C38H62N8O17S3 998.3395 NA PeJP NA NA +PJ124727 VDDEEMMM C38H62N8O17S3 998.3396 NA PeJP NA NA +PJ124728 SSSSCNNDW C38H54N12O18S 998.34 NA PeJP NA NA +PJ124729 GCCDEMRW C39H58N12O13S3 998.3409 NA PeJP NA NA +PJ124730 SCCEWWW C47H54N10O11S2 998.3415 NA PeJP NA NA +PJ124731 SSSSSSNNDD C34H54N12O23 998.3425 NA PeJP NA NA +PJ124732 GSSCDDEMR C35H58N12O18S2 998.3434 NA PeJP NA NA +HMDB06589 Sialyllacto-N-tetraose a C37H62N2O29 998.34381 http://www.hmdb.ca/metabolites/HMDB06589 HMDB NA NA +HMDB06593 Sialyllacto-N-neotetraose c C37H62N2O29 998.34381 http://www.hmdb.ca/metabolites/HMDB06593 HMDB NA NA +HMDB06600 Sialyllacto-N-tetraose b C37H62N2O29 998.34381 http://www.hmdb.ca/metabolites/HMDB06600 HMDB NA NA +HMDB06608 LS tetrasaccharide d C37H62N2O29 998.34381 http://www.hmdb.ca/metabolites/HMDB06608 HMDB NA NA +HMDB06631 Sialyllacto-N-tetraose c C37H62N2O29 998.34381 http://www.hmdb.ca/metabolites/HMDB06631 HMDB NA NA +HMDB06589 Sialyllacto-N-tetraose a C37H62N2O29 998.34381 HMDB06589 PFEM_hmdb_metabocards_official NA NA +HMDB06593 Sialyllacto-N-neotetraose c C37H62N2O29 998.34381 HMDB06593 PFEM_hmdb_metabocards_official NA NA +HMDB06600 Sialyllacto-N-tetraose b C37H62N2O29 998.34381 HMDB06600 PFEM_hmdb_metabocards_official NA NA +HMDB06608 LS tetrasaccharide d C37H62N2O29 998.34381 HMDB06608 PFEM_hmdb_metabocards_official NA NA +HMDB06631 Sialyllacto-N-tetraose c C37H62N2O29 998.34381 HMDB06631 PFEM_hmdb_metabocards_official NA NA +HMDB06589 Sialyllacto-N-tetraose a C37H62N2O29 998.343811 NA HMDB2010 NA NA +HMDB06593 Sialyllacto-N-neotetraose c C37H62N2O29 998.343811 NA HMDB2010 NA NA +HMDB06600 Sialyllacto-N-tetraose b C37H62N2O29 998.343811 NA HMDB2010 NA NA +HMDB06608 LS tetrasaccharide d C37H62N2O29 998.343811 NA HMDB2010 NA NA +HMDB06631 Sialyllacto-N-tetraose c C37H62N2O29 998.343811 NA HMDB2010 NA NA +PJ124733 SSSCDEWW C43H54N10O16S 998.344 NA PeJP NA NA +PJ124734 GGGDDDMFW C43H54N10O16S 998.3441 NA PeJP NA NA +PJ124735 TTTCCCCKH C36H62N12O13S4 998.3442 NA PeJP NA NA +PJ124736 GSPCCDMMR C36H62N12O13S4 998.3443 NA PeJP NA NA +PJ124737 CCNDDHHR C36H54N16O14S2 998.3447 NA PeJP NA NA +PJ124738 GGGGGGGTCCHH C36H54N16O14S2 998.3448 NA PeJP NA NA +PJ124739 CNEMMWW C44H58N10O11S3 998.3449 NA PeJP NA NA +PJ124740 SSSSSDDEW C39H54N10O21 998.3465 NA PeJP NA NA +PJ124741 GGGGSDEEEY C39H54N10O21 998.3466 NA PeJP NA NA +PJ124742 SSNDEMMW C40H58N10O16S2 998.3474 NA PeJP NA NA +PJ124743 SCDYYYW C48H54N8O14S 998.348 NA PeJP NA NA +PJ124744 SPCNMMMW C41H62N10O11S4 998.3483 NA PeJP NA NA +PJ124745 GCNDMHHW C41H54N14O12S2 998.3488 NA PeJP NA NA +PJ124746 CCMFFYW C49H58N8O9S3 998.3489 NA PeJP NA NA +PJ124747 SSSSNEEEM C36H58N10O21S 998.3499 NA PeJP NA NA +PJ124748 SSSDDYYY C44H54N8O19 998.3505 NA PeJP NA NA +PJ124749 DEEEEYW C44H54N8O19 998.3506 NA PeJP NA NA +PJ124750 SNQEEMMM C37H62N10O16S3 998.3508 NA PeJP NA NA +PJ124751 GSCNNNNNY C37H54N14O17S 998.3512 NA PeJP NA NA +PJ124752 GGGGGSCNNNY C37H54N14O17S 998.3513 NA PeJP NA NA +PJ124753 NDMMYYY C45H58N8O14S2 998.3514 NA PeJP NA NA +PJ124754 STMMMMMH C38H66N10O11S5 998.3516 NA PeJP NA NA +PJ124755 GGPNMMMMM C38H66N10O11S5 998.3517 NA PeJP NA NA +PJ124756 SCCCNQRW C38H58N14O12S3 998.3521 NA PeJP NA NA +PJ124757 ACCMMFFF C46H62N8O9S4 998.3523 NA PeJP NA NA +PJ124758 SPDEEEMY C41H58N8O19S 998.3539 NA PeJP NA NA +PJ124759 SSSCCNNER C34H58N14O17S2 998.3546 NA PeJP NA NA +PJ124760 SSSMMMYY C42H62N8O14S3 998.3548 NA PeJP NA NA +PJ124761 GCNNNEYW C42H54N12O15S 998.3553 NA PeJP NA NA +PJ124762 CCNNQMMR C35H62N14O12S4 998.3555 NA PeJP NA NA +PJ124763 CCDMRWW C43H58N12O10S3 998.3561 NA PeJP NA NA +PJ124764 GGGCCCKWW C43H58N12O10S3 998.3562 NA PeJP NA NA +PJ124765 TTEEEEMM C38H62N8O19S2 998.3573 NA PeJP NA NA +PJ124766 SNDDDDRY C38H54N12O20 998.3578 NA PeJP NA NA +PJ124767 PTEEMMMM C39H66N8O14S4 998.3582 NA PeJP NA NA +PJ124768 SSCDDMRW C39H58N12O15S2 998.3586 NA PeJP NA NA +PJ124769 GGGGGSSTCMW C39H58N12O15S2 998.3587 NA PeJP NA NA +PJ124770 PPMMMMMM C40H70N8O9S6 998.359 NA PeJP NA NA +PJ124771 SDDDHHHH C39H50N16O16 998.3591 NA PeJP NA NA +PJ124772 CNDEFWW C47H54N10O13S 998.3593 NA PeJP NA NA +PJ124773 PTCCCMRW C40H62N12O10S4 998.3595 NA PeJP NA NA +PJ124774 PCCEHHHH C40H54N16O11S2 998.36 NA PeJP NA NA +PJ124775 GCMMWWW C48H58N10O8S3 998.3602 NA PeJP NA NA +PJ124776 SSSSDDDMR C35H58N12O20S 998.3611 NA PeJP NA NA +PJ124777 GGGGGSSSSSEM C35H58N12O20S 998.3612 NA PeJP NA NA +PJ124778 GSNDEEYW C43H54N10O18 998.3618 NA PeJP NA NA +PJ124779 SNDDMMMR C36H62N12O15S3 998.362 NA PeJP NA NA +PJ124780 SSSCNNNHH C36H54N16O16S 998.3625 NA PeJP NA NA +PJ124781 GSSDMMWW C44H58N10O13S2 998.3627 NA PeJP NA NA +PJ124782 PCCQMMMR C37H66N12O10S5 998.3629 NA PeJP NA NA +PJ124783 GSPCCCHHR C37H58N16O11S3 998.3634 NA PeJP NA NA +PJ124784 CCQHHWW C45H54N14O9S2 998.364 NA PeJP NA NA +PJ124785 GSSSSEEMW C40H58N10O18S 998.3652 NA PeJP NA NA +PJ124786 NDDFYYY C48H54N8O16 998.3658 NA PeJP NA NA +PJ124787 GSQEMMMW C41H62N10O13S3 998.366 NA PeJP NA NA +PJ124788 GGGGPDMMMF C41H62N10O13S3 998.3661 NA PeJP NA NA +PJ124789 SSCNEHHW C41H54N14O14S 998.3665 NA PeJP NA NA +PJ124790 ACMYYYW C49H58N8O11S2 998.3667 NA PeJP NA NA +PJ124791 GCMMHHHF C42H58N14O9S3 998.3674 NA PeJP NA NA +PJ124792 GSSSSSTEEE C36H58N10O23 998.3677 NA PeJP NA NA +PJ124793 GSSTQEEMM C37H62N10O18S2 998.3685 NA PeJP NA NA +PJ124794 SSSSNDEHH C37H54N14O19 998.369 NA PeJP NA NA +PJ124795 EEEEMFW C45H58N8O16S 998.3692 NA PeJP NA NA +PJ124796 AQQEMMMM C38H66N10O13S4 998.3694 NA PeJP NA NA +PJ124797 GSSSCCNRW C38H58N14O14S2 998.3699 NA PeJP NA NA +PJ124798 NMMMFYY C46H62N8O11S3 998.37 NA PeJP NA NA +PJ124799 GGMMMFYY C46H62N8O11S3 998.3701 NA PeJP NA NA +PJ124800 CNNNYWW C46H54N12O12S 998.3705 NA PeJP NA NA +PJ124801 CCCCKHFR C39H62N14O9S4 998.3708 NA PeJP NA NA +PJ124802 ATEEEEEY C41H58N8O21 998.3717 NA PeJP NA NA +PJ124803 GSSSSSCNDR C34H58N14O19S 998.3724 NA PeJP NA NA +PJ124804 APEEEMMY C42H62N8O16S2 998.3726 NA PeJP NA NA +PJ124805 SSNNNDYW C42H54N12O17 998.373 NA PeJP NA NA +PJ124806 GGGGGGNDDFF C42H54N12O17 998.3731 NA PeJP NA NA +PJ124807 SCCDEMRR C35H62N14O14S3 998.3732 NA PeJP NA NA +PJ124808 TCCDDMRR C35H62N14O14S3 998.3733 NA PeJP NA NA +PJ124809 PPDMMMMF C43H66N8O11S4 998.3734 NA PeJP NA NA +PJ124810 GPCCDRYW C43H58N12O12S2 998.3739 NA PeJP NA NA +PJ124811 PCCCMMRR C36H66N14O9S5 998.3741 NA PeJP NA NA +PJ124812 GCDFWWW C51H54N10O10S 998.3746 NA PeJP NA NA +PJ124813 SLEEEMMM C39H66N8O16S3 998.3759 NA PeJP NA NA +PJ124814 SSSSSNNMW C39H58N12O17S 998.3764 NA PeJP NA NA +PJ124815 PVEMMMMM C40H70N8O11S5 998.3768 NA PeJP NA NA +PJ124816 SNDEYWW C47H54N10O15 998.377 NA PeJP NA NA +PJ124817 GGSDEYWW C47H54N10O15 998.3771 NA PeJP NA NA +PJ124818 GSCEMMRW C40H62N12O12S3 998.3773 NA PeJP NA NA +PJ124819 CNNNNHHF C40H54N16O13S 998.3777 NA PeJP NA NA +PJ124820 GGGGCNNHHF C40H54N16O13S 998.3778 NA PeJP NA NA +PJ124821 STCMWWW C48H58N10O10S2 998.3779 NA PeJP NA NA +PJ124822 SSSSSSSNQE C35H58N12O22 998.3789 NA PeJP NA NA +PJ124823 GSSSDEMMR C36H62N12O17S2 998.3798 NA PeJP NA NA +PJ124824 NNNDDDHR C36H54N16O18 998.3802 NA PeJP NA NA +PJ124825 GGNNDDDHR C36H54N16O18 998.3803 NA PeJP NA NA +PJ124826 SSSSEMWW C44H58N10O15S 998.3804 NA PeJP NA NA +PJ124827 GNEMMMMR C37H66N12O12S4 998.3806 NA PeJP NA NA +PJ124828 GGGEMMMMR C37H66N12O12S4 998.3807 NA PeJP NA NA +PJ124829 SCNDMHHR C37H58N16O13S2 998.3811 NA PeJP NA NA +PJ124830 SQMMMWW C45H62N10O10S3 998.3813 NA PeJP NA NA +PJ124831 GSSCHHWW C45H54N14O11S 998.3818 NA PeJP NA NA +PJ124832 CCFFFFW C53H58N8O8S2 998.3819 NA PeJP NA NA +PJ124833 SSSSSTEEW C40H58N10O20 998.3829 NA PeJP NA NA +PJ124834 SSTQEMMW C41H62N10O15S2 998.3838 NA PeJP NA NA +PJ124835 GSSSSDHHW C41H54N14O16 998.3843 NA PeJP NA NA +PJ124836 SSMYYYW C49H58N8O13S 998.3844 NA PeJP NA NA +PJ124837 GSSCCCQRR C34H62N16O13S3 998.3845 NA PeJP NA NA +PJ124838 AAQMMMMW C42H66N10O10S4 998.3847 NA PeJP NA NA +PJ124839 GCCNNFRW C42H58N14O11S2 998.3851 NA PeJP NA NA +PJ124840 GGGGGCCFRW C42H58N14O11S2 998.3852 NA PeJP NA NA +PJ124841 SSSSDKEEM C37H62N10O20S 998.3863 NA PeJP NA NA +PJ124842 SSSTEYYY C45H58N8O18 998.3869 NA PeJP NA NA +PJ124843 GPEEEEFY C45H58N8O18 998.387 NA PeJP NA NA +PJ124844 SSSPTQMMM C38H66N10O15S3 998.3871 NA PeJP NA NA +PJ124845 SNKEEMMM C38H66N10O15S3 998.3872 NA PeJP NA NA +PJ124846 GCDDDRRY C38H58N14O16S 998.3876 NA PeJP NA NA +PJ124847 GGGGGGSCERY C38H58N14O16S 998.3877 NA PeJP NA NA +PJ124848 TQMMYYY C46H62N8O13S2 998.3878 NA PeJP NA NA +PJ124849 PCQKMMMM C39H70N10O10S5 998.388 NA PeJP NA NA +PJ124850 GSPDDHWW C46H54N12O14 998.3883 NA PeJP NA NA +PJ124851 SCCCNKRW C39H62N14O11S3 998.3885 NA PeJP NA NA +PJ124852 SCNQHHHH C39H54N18O12S 998.389 NA PeJP NA NA +PJ124853 APPCCHWW C47H58N12O9S2 998.3892 NA PeJP NA NA +PJ124854 GLEEEEMY C42H62N8O18S 998.3903 NA PeJP NA NA +PJ124855 SSSSCNQMR C35H62N14O16S2 998.391 NA PeJP NA NA +PJ124856 PPTEMMMY C43H66N8O13S3 998.3912 NA PeJP NA NA +PJ124857 GSNNQMYW C43H58N12O14S 998.3916 NA PeJP NA NA +PJ124858 NDDMRYW C43H58N12O14S 998.3917 NA PeJP NA NA +PJ124859 GCDMMMRR C36H66N14O11S4 998.3919 NA PeJP NA NA +PJ124860 GSDYWWW C51H54N10O12 998.3923 NA PeJP NA NA +PJ124861 SCMMRWW C44H62N12O9S3 998.3925 NA PeJP NA NA +PJ124862 DMHHHHW C44H54N16O10S 998.393 NA PeJP NA NA +PJ124863 GSSSSSSSQW C39H58N12O19 998.3941 NA PeJP NA NA +PJ124864 GGGSSSSSSTW C39H58N12O19 998.3942 NA PeJP NA NA +PJ124865 VVEEMMMM C40H70N8O13S4 998.3946 NA PeJP NA NA +PJ124866 SSSDMMRW C40H62N12O14S2 998.395 NA PeJP NA NA +PJ124867 GGGGGGGGVMMY C40H62N12O14S2 998.3951 NA PeJP NA NA +PJ124868 SNNNNNHW C40H54N16O15 998.3955 NA PeJP NA NA +PJ124869 GQEMYWW C48H58N10O12S 998.3957 NA PeJP NA NA +PJ124870 NMMMMRW C41H66N12O9S4 998.3959 NA PeJP NA NA +PJ124871 GTCCHHRW C41H58N16O10S2 998.3964 NA PeJP NA NA +PJ124872 SSSSSEEMR C36H62N12O19S 998.3975 NA PeJP NA NA +PJ124873 GSTQEEYW C44H58N10O17 998.3982 NA PeJP NA NA +PJ124874 SSQEMMMR C37H66N12O14S3 998.3984 NA PeJP NA NA +PJ124875 GSSSCEHHR C37H58N16O15S 998.3989 NA PeJP NA NA +PJ124876 GSTTMMWW C45H62N10O12S2 998.399 NA PeJP NA NA +PJ124877 GGGPTMMYW C45H62N10O12S2 998.3991 NA PeJP NA NA +PJ124878 PCCKMMMR C38H70N12O9S5 998.3993 NA PeJP NA NA +PJ124879 NNNEHWW C45H54N14O13 998.3995 NA PeJP NA NA +PJ124880 ACFFYYW C53H58N8O10S 998.3997 NA PeJP NA NA +PJ124881 GGACMMHHR C38H62N16O10S3 998.3998 NA PeJP NA NA +PJ124882 CCKHHWW C46H58N14O8S2 998.4004 NA PeJP NA NA +PJ124883 GSSTTTEMW C41H62N10O17S 998.4015 NA PeJP NA NA +PJ124884 GNKEEEMY C41H62N10O17S 998.4016 NA PeJP NA NA +PJ124885 PEEEFYW C49H58N8O15 998.4022 NA PeJP NA NA +PJ124886 GSKEMMMW C42H66N10O12S3 998.4024 NA PeJP NA NA +PJ124887 GSCNNRYW C42H58N14O13S 998.4029 NA PeJP NA NA +PJ124888 NMMFFFY C50H62N8O10S2 998.4031 NA PeJP NA NA +PJ124889 SSSSSSSLEE C37H62N10O22 998.404 NA PeJP NA NA +PJ124890 GSSTKEEMM C38H66N10O17S2 998.4049 NA PeJP NA NA +PJ124891 GSSSNNDRY C38H58N14O18 998.4054 NA PeJP NA NA +PJ124892 LEEEMYW C46H62N8O15S 998.4056 NA PeJP NA NA +PJ124893 AQKEMMMM C39H70N10O12S4 998.4058 NA PeJP NA NA +PJ124894 SPCCDRRY C39H62N14O13S2 998.4063 NA PeJP NA NA +PJ124895 GSSSNHHHH C39H54N18O14 998.4067 NA PeJP NA NA +PJ124896 GCERYWW C47H58N12O11S 998.4069 NA PeJP NA NA +PJ124897 STLEEEEY C42H62N8O20 998.4081 NA PeJP NA NA +PJ124898 GSSSSSSNMR C35H62N14O18S 998.4088 NA PeJP NA NA +PJ124899 SPLEEMMY C43H66N8O15S2 998.4089 NA PeJP NA NA +PJ124900 VVDEEMMF C43H66N8O15S2 998.409 NA PeJP NA NA +PJ124901 GSSDERYW C43H58N12O16 998.4094 NA PeJP NA NA +PJ124902 SSCEMMRR C36H66N14O13S3 998.4096 NA PeJP NA NA +PJ124903 PPVMMMMY C44H70N8O10S4 998.4098 NA PeJP NA NA +PJ124904 CNNNNQHR C36H58N18O14S 998.4101 NA PeJP NA NA +PJ124905 GSPCMRYW C44H62N12O11S2 998.4103 NA PeJP NA NA +PJ124906 GPNDHHHW C44H54N16O12 998.4108 NA PeJP NA NA +PJ124907 QMYWWW C52H58N10O9S 998.4109 NA PeJP NA NA +PJ124908 GCCMHHRR C37H62N18O9S3 998.411 NA PeJP NA NA +PJ124909 SSSSSCQKW C40H62N12O16S 998.4128 NA PeJP NA NA +PJ124910 STQEYWW C48H58N10O14 998.4134 NA PeJP NA NA +PJ124911 GGGVDDFFW C48H58N10O14 998.4135 NA PeJP NA NA +PJ124912 GSTMMMRW C41H66N12O11S3 998.4137 NA PeJP NA NA +PJ124913 SSSCHHRW C41H58N16O12S 998.4141 NA PeJP NA NA +PJ124914 AQMMFWW C49H62N10O9S2 998.4143 NA PeJP NA NA +PJ124915 GNNHWWW C49H54N14O10 998.4148 NA PeJP NA NA +PJ124916 SSSSSSSNKE C36H62N12O21 998.4153 NA PeJP NA NA +PJ124917 GSSTTEMMR C37H66N12O16S2 998.4161 NA PeJP NA NA +PJ124918 ASSSTEMMR C37H66N12O16S2 998.4162 NA PeJP NA NA +PJ124919 GDDDEHRR C37H58N16O17 998.4166 NA PeJP NA NA +PJ124920 GGGGGGSEEHR C37H58N16O17 998.4167 NA PeJP NA NA +PJ124921 SSTTTMWW C45H62N10O14S 998.4168 NA PeJP NA NA +PJ124922 GDKMMMMR C38H70N12O11S4 998.417 NA PeJP NA NA +PJ124923 AAYYYYW C53H58N8O12 998.4174 NA PeJP NA NA +PJ124924 GCCNQRRY C38H62N16O12S2 998.4175 NA PeJP NA NA +PJ124925 SKMMMWW C46H66N10O9S3 998.4177 NA PeJP NA NA +PJ124926 NQMHHFW C46H58N14O10S 998.4181 NA PeJP NA NA +PJ124927 PCDHRWW C46H58N14O10S 998.4182 NA PeJP NA NA +PJ124928 SSSTTTTEW C41H62N10O19 998.4193 NA PeJP NA NA +PJ124929 SSTKEMMW C42H66N10O14S2 998.4202 NA PeJP NA NA +PJ124930 NEEEHRW C42H58N14O15 998.4206 NA PeJP NA NA +PJ124931 GGEEEHRW C42H58N14O15 998.4207 NA PeJP NA NA +PJ124932 PCKYYYY C50H62N8O12S 998.4208 NA PeJP NA NA +PJ124933 GSSCCCKRR C35H66N16O12S3 998.4209 NA PeJP NA NA +PJ124934 AAKMMMMW C43H70N10O9S4 998.4211 NA PeJP NA NA +PJ124935 CCEFRRW C43H62N14O10S2 998.4215 NA PeJP NA NA +PJ124936 GNNHHHHF C43H54N18O11 998.422 NA PeJP NA NA +PJ124937 CRYWWW C51H58N12O8S 998.4222 NA PeJP NA NA +PJ124938 SSSTTKEEM C38H66N10O19S 998.4227 NA PeJP NA NA +PJ124939 STTTTYYY C46H62N8O17 998.4233 NA PeJP NA NA +PJ124940 SDKKEMMM C39H70N10O14S3 998.4235 NA PeJP NA NA +PJ124941 GATTKEMMM C39H70N10O14S3 998.4236 NA PeJP NA NA +PJ124942 GSDDMRRY C39H62N14O15S 998.424 NA PeJP NA NA +PJ124943 GGGGGGAAVEMH C39H62N14O15S 998.4241 NA PeJP NA NA +PJ124944 TKMMYYY C47H66N8O12S2 998.4242 NA PeJP NA NA +PJ124945 PCKKMMMM C40H74N10O9S5 998.4244 NA PeJP NA NA +PJ124946 SSDRYWW C47H58N12O13 998.4247 NA PeJP NA NA +PJ124947 APCCMRRY C40H66N14O10S3 998.4249 NA PeJP NA NA +PJ124948 SCNKHHHH C40H58N18O11S 998.4254 NA PeJP NA NA +PJ124949 ACMFRWW C48H62N12O8S2 998.4255 NA PeJP NA NA +PJ124950 SSSSSSSSQR C35H62N14O20 998.4265 NA PeJP NA NA +PJ124951 SVLEEEMY C43H66N8O17S 998.4267 NA PeJP NA NA +PJ124952 SSSSCNKMR C36H66N14O15S2 998.4274 NA PeJP NA NA +PJ124953 PVVEMMMY C44H70N8O12S3 998.4276 NA PeJP NA NA +PJ124954 GSSNNNNHR C36H58N18O16 998.4279 NA PeJP NA NA +PJ124955 SQEMRYW C44H62N12O13S 998.428 NA PeJP NA NA +PJ124956 GGGGGSKMYW C44H62N12O13S 998.4281 NA PeJP NA NA +PJ124957 GSMMMMRR C37H70N14O10S4 998.4283 NA PeJP NA NA +PJ124958 GTTYWWW C52H58N10O11 998.4287 NA PeJP NA NA +PJ124959 GGGGPCCHRR C37H62N18O11S2 998.4288 NA PeJP NA NA +PJ124960 MMMHFFR C45H66N12O8S3 998.4289 NA PeJP NA NA +PJ124961 CNHHFRW C45H58N16O9S 998.4294 NA PeJP NA NA +PJ124962 GSSSSSSSKW C40H62N12O18 998.4305 NA PeJP NA NA +PJ124963 GGGGGSSTKEY C40H62N12O18 998.4306 NA PeJP NA NA +PJ124964 TLLEMMMM C41H74N8O12S4 998.4309 NA PeJP NA NA +PJ124965 SSTTMMRW C41H66N12O13S2 998.4314 NA PeJP NA NA +PJ124966 DDDHRRW C41H58N16O14 998.4319 NA PeJP NA NA +PJ124967 SVQMYWW C49H62N10O11S 998.432 NA PeJP NA NA +PJ124968 GKEMYWW C49H62N10O11S 998.4321 NA PeJP NA NA +PJ124969 GLMMHHHH C42H62N16O9S2 998.4328 NA PeJP NA NA +PJ124970 GTHHHHHH C42H54N20O10 998.4332 NA PeJP NA NA +PJ124971 SSSTTTEMR C37H66N12O18S 998.4339 NA PeJP NA NA +PJ124972 SSSSSPVYW C45H62N10O16 998.4345 NA PeJP NA NA +PJ124973 GSTKEEYW C45H62N10O16 998.4346 NA PeJP NA NA +PJ124974 SSKEMMMR C38H70N12O13S3 998.4348 NA PeJP NA NA +PJ124975 SSCNNRRY C38H62N16O14S 998.4352 NA PeJP NA NA +PJ124976 GGSSCNRRY C38H62N16O14S 998.4353 NA PeJP NA NA +PJ124977 GSPKMMYW C46H66N10O11S2 998.4354 NA PeJP NA NA +PJ124978 GGGGPVMMFF C46H66N10O11S2 998.4355 NA PeJP NA NA +PJ124979 GEEHRWW C46H58N14O12 998.4359 NA PeJP NA NA +PJ124980 PPCCMHRR C39H66N16O9S3 998.4361 NA PeJP NA NA +PJ124981 SSSSTTLMW C42H66N10O16S 998.4379 NA PeJP NA NA +PJ124982 GGSPPPLDEM C42H66N10O16S 998.438 NA PeJP NA NA +PJ124983 PLEEYYW C50H62N8O14 998.4386 NA PeJP NA NA +PJ124984 ATTKMMMW C43H70N10O11S3 998.4388 NA PeJP NA NA +PJ124985 SCERRYW C43H62N14O12S 998.4393 NA PeJP NA NA +PJ124986 CCCCKKRR C36H70N16O9S4 998.4395 NA PeJP NA NA +PJ124987 GVEHWWW C51H58N12O10 998.4399 NA PeJP NA NA +PJ124988 SSSSSTTTLE C38H66N10O21 998.4404 NA PeJP NA NA +PJ124989 SSSSLKEMM C39H70N10O16S2 998.4413 NA PeJP NA NA +PJ124990 SSSDERRY C39H62N14O17 998.4418 NA PeJP NA NA +PJ124991 SPPLEMYY C47H66N8O14S 998.4419 NA PeJP NA NA +PJ124992 PPVTEMYY C47H66N8O14S 998.442 NA PeJP NA NA +PJ124993 AKKEMMMM C40H74N10O11S4 998.4422 NA PeJP NA NA +PJ124994 NEMMRRY C40H66N14O12S2 998.4426 NA PeJP NA NA +PJ124995 GGEMMRRY C40H66N14O12S2 998.4427 NA PeJP NA NA +PJ124996 PPVMMMFF C48H70N8O9S3 998.4428 NA PeJP NA NA +PJ124997 SPNDHHHR C40H58N18O13 998.4431 NA PeJP NA NA +PJ124998 GGGGGGGGLHHH C40H58N18O13 998.4432 NA PeJP NA NA +PJ124999 GTMRYWW C48H62N12O10S 998.4433 NA PeJP NA NA +PJ125000 QFFWWW C56H58N10O8 998.4439 NA PeJP NA NA +PJ125001 GAFFWWW C56H58N10O8 998.444 NA PeJP NA NA +PJ125002 GSSSSSTCKR C36H66N14O17S 998.4451 NA PeJP NA NA +PJ125003 ALLEEMMY C44H70N8O14S2 998.4453 NA PeJP NA NA +PJ125004 GSTTERYW C44H62N12O15 998.4458 NA PeJP NA NA +PJ125005 SSTMMMRR C37H70N14O12S3 998.446 NA PeJP NA NA +PJ125006 PVLMMMMF C45H74N8O9S4 998.4462 NA PeJP NA NA +PJ125007 GNNDMHRR C37H62N18O13S 998.4465 NA PeJP NA NA +PJ125008 VNMMRYW C45H66N12O10S2 998.4467 NA PeJP NA NA +PJ125009 SNNHRWW C45H58N16O11 998.4471 NA PeJP NA NA +PJ125010 GGGGSHRWW C45H58N16O11 998.4472 NA PeJP NA NA +PJ125011 KMYWWW C53H62N10O8S 998.4473 NA PeJP NA NA +PJ125012 SSSSSCKKW C41H66N12O15S 998.4492 NA PeJP NA NA +PJ125013 VLLMMMMM C42H78N8O9S5 998.4496 NA PeJP NA NA +PJ125014 STKEYWW C49H62N10O13 998.4498 NA PeJP NA NA +PJ125015 TCCCKKKW C42H70N12O10S3 998.45 NA PeJP NA NA +PJ125016 GGGLMMMFR C42H70N12O10S3 998.4501 NA PeJP NA NA +PJ125017 NQQMHRW C42H62N16O11S 998.4505 NA PeJP NA NA +PJ125018 AKMMFWW C50H66N10O8S2 998.4507 NA PeJP NA NA +PJ125019 EHRWWW C50H58N14O9 998.4512 NA PeJP NA NA +PJ125020 SSSSSSSDKK C37H66N12O20 998.4517 NA PeJP NA NA +PJ125021 SSSSTLMMR C38H70N12O15S2 998.4525 NA PeJP NA NA +PJ125022 GSEEEHRR C38H62N16O16 998.453 NA PeJP NA NA +PJ125023 GGGGGGGGAAPER C38H62N16O16 998.4531 NA PeJP NA NA +PJ125024 DKKEMYW C46H66N10O13S 998.4532 NA PeJP NA NA +PJ125025 ATKMMMMR C39H74N12O10S4 998.4534 NA PeJP NA NA +PJ125026 VNFFFYY C54H62N8O11 998.4538 NA PeJP NA NA +PJ125027 CDMRRRY C39H66N16O11S2 998.4539 NA PeJP NA NA +PJ125028 GNNQHHHR C39H58N20O12 998.4544 NA PeJP NA NA +PJ125029 SPMHRWW C47H62N14O9S 998.4545 NA PeJP NA NA +PJ125030 VHWWWW C55H58N12O7 998.4552 NA PeJP NA NA +PJ125031 STTTTTTTW C42H66N10O18 998.4557 NA PeJP NA NA +PJ125032 TTTTKMMW C43H70N10O13S2 998.4566 NA PeJP NA NA +PJ125033 DKEEHRW C43H62N14O14 998.457 NA PeJP NA NA +PJ125034 GGGGSPPERW C43H62N14O14 998.4571 NA PeJP NA NA +PJ125035 CLKFYYY C51H66N8O11S 998.4572 NA PeJP NA NA +PJ125036 GMMRRYW C44H66N14O9S2 998.4579 NA PeJP NA NA +PJ125037 EHHHHFR C44H58N18O10 998.4584 NA PeJP NA NA +PJ125038 STTTTTKEM C39H70N10O18S 998.459 NA PeJP NA NA +PJ125039 TTTTTTDKM C39H70N10O18S 998.4591 NA PeJP NA NA +PJ125040 SPVLEEYY C47H66N8O16 998.4597 NA PeJP NA NA +PJ125041 TTKKEMMM C40H74N10O13S3 998.4599 NA PeJP NA NA +PJ125042 GSTEMRRY C40H66N14O14S 998.4604 NA PeJP NA NA +PJ125043 PPVVMMYY C48H70N8O11S2 998.4606 NA PeJP NA NA +PJ125044 STTRYWW C48H62N12O12 998.461 NA PeJP NA NA +PJ125045 PPEERWW C48H62N12O12 998.4611 NA PeJP NA NA +PJ125046 QMMMFRR C41H70N14O9S3 998.4613 NA PeJP NA NA +PJ125047 CNQHRRW C41H62N18O10S 998.4617 NA PeJP NA NA +PJ125048 GGCQHRRW C41H62N18O10S 998.4618 NA PeJP NA NA +PJ125049 VHHHHFW C49H58N16O8 998.4624 NA PeJP NA NA +PJ125050 SSSSSSSSKR C36H66N14O19 998.4629 NA PeJP NA NA +PJ125051 TTLLEEMY C44H70N8O16S 998.4631 NA PeJP NA NA +PJ125052 SSSTCCKKR C37H70N14O14S2 998.4638 NA PeJP NA NA +PJ125053 PTLLMMMY C45H74N8O11S3 998.464 NA PeJP NA NA +PJ125054 SSNNEHRR C37H62N18O15 998.4642 NA PeJP NA NA +PJ125055 GGSSNEHRR C37H62N18O15 998.4643 NA PeJP NA NA +PJ125056 SKEMRYW C45H66N12O12S 998.4644 NA PeJP NA NA +PJ125057 GGGGGAPPLMW C45H66N12O12S 998.4645 NA PeJP NA NA +PJ125058 CCCKKKMR C38H74N14O9S4 998.4647 NA PeJP NA NA +PJ125059 PPVEWWW C53H62N10O10 998.4651 NA PeJP NA NA +PJ125060 SSTKEERY C41H66N12O17 998.4669 NA PeJP NA NA +PJ125061 GGGGAPPTKEE C41H66N12O17 998.467 NA PeJP NA NA +PJ125062 AAKEMMRY C42H70N12O12S2 998.4678 NA PeJP NA NA +PJ125063 NNNRRYY C42H62N16O13 998.4682 NA PeJP NA NA +PJ125064 SEEHRRW C42H62N16O13 998.4683 NA PeJP NA NA +PJ125065 SVKMYWW C50H66N10O10S 998.4684 NA PeJP NA NA +PJ125066 SPPPVMWW C50H66N10O10S 998.4685 NA PeJP NA NA +PJ125067 STTTTTTMR C38H70N12O17S 998.4703 NA PeJP NA NA +PJ125068 SSSLKEYW C46H66N10O15 998.4709 NA PeJP NA NA +PJ125069 PPVDKEEW C46H66N10O15 998.471 NA PeJP NA NA +PJ125070 TTTKMMMR C39H74N12O12S3 998.4712 NA PeJP NA NA +PJ125071 SSPEMHRR C39H66N16O13S 998.4716 NA PeJP NA NA +PJ125072 AAEEMHRR C39H66N16O13S 998.4717 NA PeJP NA NA +PJ125073 LQKMMYW C47H70N10O10S2 998.4718 NA PeJP NA NA +MJ099259 1,6,10-Farnesatrien-3-ol, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-[4-(4-hydroxy-3-methoxycinnamoyl)-(E)-?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] C49H74O21 998.472259 NA MeJP NA NA +PJ125074 SVEHRWW C47H62N14O11 998.4723 NA PeJP NA NA +PJ125075 CMMFRRR C40H70N16O8S3 998.4725 NA PeJP NA NA +PJ125076 GPCHHHRR C40H62N20O9S 998.473 NA PeJP NA NA +PJ125077 ATKKEEMY C43H70N10O15S 998.4743 NA PeJP NA NA +PJ125078 LLEEFYW C51H66N8O13 998.475 NA PeJP NA NA +PJ125079 APKKMMMY C44H74N10O10S3 998.4752 NA PeJP NA NA +PJ125080 STMRRYW C44H66N14O11S 998.4757 NA PeJP NA NA +PJ125081 ATLHWWW C52H62N12O9 998.4763 NA PeJP NA NA +PJ125082 SSSTTTTTTL C39H70N10O20 998.4768 NA PeJP NA NA +PJ125083 SSTTTLKMM C40H74N10O15S2 998.4777 NA PeJP NA NA +PJ125084 SSTTTTKHH C40H66N14O16 998.4781 NA PeJP NA NA +PJ125085 SSTTERRY C40H66N14O16 998.4782 NA PeJP NA NA +PJ125086 APLLEMYY C48H70N8O13S 998.4783 NA PeJP NA NA +PJ125087 ALLEEMFF C48H70N8O13S 998.4784 NA PeJP NA NA +PJ125088 SLKKMMMM C41H78N10O10S4 998.4786 NA PeJP NA NA +PJ125089 DKMMRRY C41H70N14O11S2 998.479 NA PeJP NA NA +PJ125090 GGGPPPCKMR C41H70N14O11S2 998.4791 NA PeJP NA NA +PJ125091 GSSNHRRW C41H62N18O12 998.4795 NA PeJP NA NA +PJ125092 VLQMHWW C49H66N12O9S 998.4797 NA PeJP NA NA +PJ125093 KFFWWW C57H62N10O7 998.4803 NA PeJP NA NA +PJ125094 SLLLEMMY C45H74N8O13S2 998.4817 NA PeJP NA NA +PJ125095 SSSTLRYW C45H66N12O14 998.4822 NA PeJP NA NA +PJ125096 DEMHRRR C38H66N18O12S 998.4829 NA PeJP NA NA +PJ125097 CLKMRYW C46H70N12O9S2 998.4831 NA PeJP NA NA +PJ125098 GPTKHHHW C46H62N16O10 998.4835 NA PeJP NA NA +PJ125099 STTLQMRY C42H70N12O14S 998.4855 NA PeJP NA NA +PJ125100 ATTKEMRY C42H70N12O14S 998.4856 NA PeJP NA NA +PJ125101 APPTLEWW C50H66N10O12 998.4862 NA PeJP NA NA +PJ125102 GVKMMMFR C43H74N12O9S3 998.4864 NA PeJP NA NA +PJ125103 VDMHRRW C43H66N16O10S 998.4869 NA PeJP NA NA +PJ125104 APHFRWW C51H62N14O8 998.4876 NA PeJP NA NA +PJ125105 SSSSSSTTKK C38H70N12O19 998.488 NA PeJP NA NA +PJ125106 SSSTCKKKM C39H74N12O14S2 998.4889 NA PeJP NA NA +PJ125107 ATTEEHRR C39H66N16O15 998.4894 NA PeJP NA NA +PJ125108 GTTLKMYW C47H70N10O12S 998.4896 NA PeJP NA NA +PJ125109 CCKKKKMM C40H78N12O9S4 998.4898 NA PeJP NA NA +HMDB10035 PIP2(16:0/18:0) C43H85O19P3 998.489807 NA HMDB2010 NA NA +HMDB10059 PIP2(18:0/16:0) C43H85O19P3 998.489807 NA HMDB2010 NA NA +PJ125110 TKFFFFY C55H66N8O10 998.4902 NA PeJP NA NA +PJ125111 SMMRRRY C40H70N16O10S2 998.4903 NA PeJP NA NA +PJ125112 QEHHHRR C40H62N20O11 998.4907 NA PeJP NA NA +PJ125113 GAEHHHRR C40H62N20O11 998.4908 NA PeJP NA NA +PJ125114 ALMHRWW C48H66N14O8S 998.4909 NA PeJP NA NA +PJ125115 TTTKKEEY C43H70N10O17 998.4921 NA PeJP NA NA +PJ125116 GLKKEMMY C44H74N10O12S2 998.4929 NA PeJP NA NA +PJ125117 AVKKEMMY C44H74N10O12S2 998.493 NA PeJP NA NA +PJ125118 GTTLEHRW C44H66N14O13 998.4934 NA PeJP NA NA +PJ125119 GGGGGGGGPLKW C44H66N14O13 998.4935 NA PeJP NA NA +PJ125120 PPVVMFFY C52H70N8O10S 998.4936 NA PeJP NA NA +PJ125121 GSCQHRRR C37H66N20O11S 998.4941 NA PeJP NA NA +PJ125122 VQHHHRW C45H62N18O9 998.4948 NA PeJP NA NA +PJ125123 GLLLEEYY C48H70N8O15 998.4961 NA PeJP NA NA +PJ125124 SSSLMRRY C41H70N14O13S 998.4968 NA PeJP NA NA +PJ125125 PVVLMMFY C49H74N8O10S2 998.497 NA PeJP NA NA +PJ125126 TLKEHWW C49H66N12O11 998.4974 NA PeJP NA NA +PJ125127 GGAPPTKWW C49H66N12O11 998.4975 NA PeJP NA NA +PJ125128 KMMMFRR C42H74N14O8S3 998.4977 NA PeJP NA NA +PJ125129 CNKHRRW C42H66N18O9S 998.4981 NA PeJP NA NA +PJ125130 VVLLMMMY C46H78N8O10S3 998.5003 NA PeJP NA NA +PJ125131 GPNDERRR C38H66N18O14 998.5006 NA PeJP NA NA +PJ125132 GGGPDERRR C38H66N18O14 998.5007 NA PeJP NA NA +PJ125133 GSCKKKYW C46H70N12O11S 998.5008 NA PeJP NA NA +PJ125134 GLKFYWW C54H66N10O9 998.5015 NA PeJP NA NA +PJ125135 TTTTKERY C42H70N12O16 998.5033 NA PeJP NA NA +PJ125136 GTLKMMRY C43H74N12O11S2 998.5042 NA PeJP NA NA +PJ125137 GSTQKHRW C43H66N16O12 998.5046 NA PeJP NA NA +PJ125138 PQQERRW C43H66N16O12 998.5047 NA PeJP NA NA +PJ125139 GPPLLMWW C51H70N10O9S 998.5048 NA PeJP NA NA +PJ125140 AHHHRRW C44H62N20O8 998.506 NA PeJP NA NA +PJ125141 STTTLKYW C47H70N10O14 998.5073 NA PeJP NA NA +PJ125142 GGPVLLEEW C47H70N10O14 998.5074 NA PeJP NA NA +PJ125143 GTLEMHRR C40H70N16O12S 998.508 NA PeJP NA NA +PJ125144 GGGGGACKKKH C40H70N16O12S 998.5081 NA PeJP NA NA +PJ125145 LKKMMYW C48H74N10O9S2 998.5082 NA PeJP NA NA +MJ099260 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-lyxo-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-ribo-hexopyranoside] C50H78O20 998.508644 NA MeJP NA NA +PJ125146 TTLHRWW C48H66N14O10 998.5087 NA PeJP NA NA +MJ099261 Ulapualide; Ulapualide B C51H74N4O16 998.509982 NA MeJP NA NA +PJ125147 STLKKEMY C44H74N10O14S 998.5107 NA PeJP NA NA +PJ125148 APPLLYYY C52H70N8O12 998.5113 NA PeJP NA NA +PJ125149 LLLEYYW C52H70N8O12 998.5114 NA PeJP NA NA +PJ125150 ALKKMMMF C45H78N10O9S3 998.5116 NA PeJP NA NA +PJ125151 SSSNHRRR C37H66N20O13 998.5119 NA PeJP NA NA +PJ125152 GCLQKKHW C45H70N14O10S 998.512 NA PeJP NA NA +PJ125153 LKEMHRW C45H70N14O10S 998.5121 NA PeJP NA NA +PJ125154 PVKHFWW C53H66N12O8 998.5127 NA PeJP NA NA +PJ125155 TTTTTRRY C41H70N14O15 998.5145 NA PeJP NA NA +PJ125156 APLEEERR C41H70N14O15 998.5146 NA PeJP NA NA +PJ125157 SPLLLMYY C49H74N8O12S 998.5147 NA PeJP NA NA +PJ125158 ACCKKKRY C42H74N14O10S2 998.5154 NA PeJP NA NA +PJ125159 PNDRRRW C42H66N18O11 998.5159 NA PeJP NA NA +PJ125160 VLKMHWW C50H70N12O8S 998.5161 NA PeJP NA NA +PJ125161 GPLLEERW C46H70N12O13 998.5186 NA PeJP NA NA +PJ125162 SPPCQRRR C39H70N18O11S 998.5193 NA PeJP NA NA +PJ125163 APQRRWW C47H66N16O9 998.5199 NA PeJP NA NA +PJ125164 STTLKMRY C43H74N12O13S 998.5219 NA PeJP NA NA +PJ125165 PPLKEEMR C43H74N12O13S 998.522 NA PeJP NA NA +PJ125166 GPVLLEWW C51H70N10O11 998.5226 NA PeJP NA NA +PJ125167 TLMHRRW C44H70N16O9S 998.5233 NA PeJP NA NA +PJ125168 STTLEHRR C40H70N16O14 998.5258 NA PeJP NA NA +PJ125169 PPVLKEMW C48H74N10O11S 998.526 NA PeJP NA NA +PJ125170 PPVVFFFF C56H70N8O9 998.5266 NA PeJP NA NA +PJ125171 GVLMMHRR C41H74N16O9S2 998.5267 NA PeJP NA NA +PJ125172 NNHFRRR C41H66N20O10 998.5271 NA PeJP NA NA +PJ125173 SSSTTLLKY C44H74N10O16 998.5285 NA PeJP NA NA +PJ125174 SVLKKMMY C45H78N10O11S2 998.5293 NA PeJP NA NA +PJ125175 GGAPPLLLMM C45H78N10O11S2 998.5294 NA PeJP NA NA +PJ125176 SSTLLHRW C45H70N14O12 998.5298 NA PeJP NA NA +PJ125177 PVVLMFFF C53H74N8O9S 998.53 NA PeJP NA NA +PJ125178 GSCKHRRR C38H70N20O10S 998.5305 NA PeJP NA NA +PJ125179 VKHHHRW C46H66N18O8 998.5311 NA PeJP NA NA +PJ125180 SVLLLEYY C49H74N8O14 998.5325 NA PeJP NA NA +PJ125181 SSCKKKRY C42H74N14O12S 998.5332 NA PeJP NA NA +PJ125182 VVLLMMFF C50H78N8O9S2 998.5334 NA PeJP NA NA +PJ125183 PLLERWW C50H70N12O10 998.5338 NA PeJP NA NA +PJ125184 PMHFRRR C43H70N18O8S 998.5345 NA PeJP NA NA +PJ125185 GPTQERRR C39H70N18O13 998.537 NA PeJP NA NA +PJ125186 GGGGGGGGVLRR C39H70N18O13 998.5371 NA PeJP NA NA +PJ125187 SPPLLMRW C47H74N12O10S 998.5372 NA PeJP NA NA +PJ125188 PVLLWWW C55H70N10O8 998.5379 NA PeJP NA NA +PJ125189 THHHRRR C40H66N22O9 998.5384 NA PeJP NA NA +PJ125190 GSSTTKKKY C43H74N12O15 998.5397 NA PeJP NA NA +PJ125191 ACKKKKMY C44H78N12O10S2 998.5406 NA PeJP NA NA +PJ125192 PQKERRW C44H70N16O11 998.541 NA PeJP NA NA +PJ125193 GAPKERRW C44H70N16O11 998.5411 NA PeJP NA NA +PJ125194 LKKMFFW C52H74N10O8S 998.5412 NA PeJP NA NA +PJ125195 PVVLKEEW C48H74N10O13 998.5437 NA PeJP NA NA +PJ125196 SSLLMHRR C41H74N16O11S 998.5444 NA PeJP NA NA +MJ099262 3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 11-Ac, 3-O-[?-L-diginopyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-oleandropyranoside] C51H82O19 998.54503 NA MeJP NA NA +MJ099263 3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-L-cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-diginopyranosyl-(1?4)-?-D-cymaropyranoside] C51H82O19 998.54503 NA MeJP NA NA +MJ099264 Oleanolic acid 3-glycosides; Tetraglycosides, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-xylopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-?-D-xylopyranoside] C51H82O19 998.54503 NA MeJP NA NA +PJ125197 PVQKRWW C49H70N14O9 998.5451 NA PeJP NA NA +PJ125198 APPTLLKEM C45H78N10O13S 998.5471 NA PeJP NA NA +PJ125199 APLLLFYY C53H74N8O11 998.5477 NA PeJP NA NA +PJ125200 VVVLEFFF C53H74N8O11 998.5478 NA PeJP NA NA +PJ125201 QQQQRRR C38H70N20O12 998.5482 NA PeJP NA NA +PJ125202 GSPDRRRR C38H70N20O12 998.5483 NA PeJP NA NA +PJ125203 GPPKKMRW C46H74N14O9S 998.5484 NA PeJP NA NA +PJ125204 SPLLEERR C42H74N14O14 998.5509 NA PeJP NA NA +PJ125205 GGPVKKEER C42H74N14O14 998.551 NA PeJP NA NA +PJ125206 ALLLLMYY C50H78N8O11S 998.5511 NA PeJP NA NA +PJ125207 PPVLMMRR C43H78N14O9S2 998.5518 NA PeJP NA NA +PJ125208 PTQRRRW C43H70N18O10 998.5523 NA PeJP NA NA +PJ125209 ALLLQQQW C47H74N12O12 998.5549 NA PeJP NA NA +PJ125210 SPVLLERW C47H74N12O12 998.555 NA PeJP NA NA +PJ125211 APVNMRRR C40H74N18O10S 998.5556 NA PeJP NA NA +PJ125212 GPVQMRRR C40H74N18O10S 998.5557 NA PeJP NA NA +PJ125213 APKRRWW C48H70N16O8 998.5563 NA PeJP NA NA +PJ125214 SSKKKKMY C44H78N12O12S 998.5583 NA PeJP NA NA +PJ125215 GGGGGPLLLKM C44H78N12O12S 998.5584 NA PeJP NA NA +PJ125216 APTLLLWW C52H74N10O10 998.559 NA PeJP NA NA +PJ125217 NNQRRRR C37H70N22O11 998.5595 NA PeJP NA NA +PJ125218 GPKKEERR C41H74N16O13 998.5622 NA PeJP NA NA +PJ125219 AVLKKMFY C49H78N10O10S 998.5623 NA PeJP NA NA +PJ125220 PVLLLQMW C49H78N10O10S 998.5624 NA PeJP NA NA +PJ125221 SSPLLLLQE C45H78N10O15 998.5648 NA PeJP NA NA +PJ125222 GPTLLLKEE C45H78N10O15 998.5649 NA PeJP NA NA +PJ125223 GPPLLLKMM C46H82N10O10S2 998.5657 NA PeJP NA NA +PJ125224 GPVKKERW C46H74N14O11 998.5662 NA PeJP NA NA +PJ125225 PQMRRRR C39H74N20O9S 998.5669 NA PeJP NA NA +PJ125226 TTLLLLYY C50H78N8O13 998.5689 NA PeJP NA NA +PJ125227 PVVLEMRR C43H78N14O11S 998.5696 NA PeJP NA NA +PJ125228 AAPLKKWW C51H74N12O9 998.5702 NA PeJP NA NA +PJ125229 GPTKERRR C40H74N18O12 998.5734 NA PeJP NA NA +PJ125230 APLLLMRW C48H78N12O9S 998.5736 NA PeJP NA NA +PJ125231 VLLLQEER C44H78N12O14 998.5761 NA PeJP NA NA +PJ125232 VLLKKMMH C45H82N12O9S2 998.577 NA PeJP NA NA +PJ125233 PKKERRW C45H74N16O10 998.5774 NA PeJP NA NA +PJ125234 PCRRRRR C38H74N22O8S 998.5781 NA PeJP NA NA +PJ125235 PTLLLKEW C49H78N10O12 998.5801 NA PeJP NA NA +PJ125236 SPPKKMRR C42H78N16O10S 998.5808 NA PeJP NA NA +PJ125237 PVKKRWW C50H74N14O8 998.5814 NA PeJP NA NA +PJ125238 GPVLLLKEM C46H82N10O12S 998.5835 NA PeJP NA NA +PJ125239 ALLLLFFY C54H78N8O10 998.5841 NA PeJP NA NA +PJ125240 VQERRRR C39H74N20O11 998.5846 NA PeJP NA NA +PJ125241 GGLERRRR C39H74N20O11 998.5847 NA PeJP NA NA +PJ125242 ALLLEERR C43H78N14O13 998.5873 NA PeJP NA NA +PJ125243 GGGGGGGVLLKK C43H78N14O13 998.5874 NA PeJP NA NA +PJ125244 PTKRRRW C44H74N18O9 998.5887 NA PeJP NA NA +PJ125245 AVLLLERW C48H78N12O11 998.5913 NA PeJP NA NA +PJ125246 GLLLLERW C48H78N12O11 998.5914 NA PeJP NA NA +PJ125247 GPVKMRRR C41H78N18O9S 998.592 NA PeJP NA NA +PJ125248 PLLLKEMR C45H82N12O11S 998.5947 NA PeJP NA NA +PJ125249 GVLLLLWW C53H78N10O9 998.5954 NA PeJP NA NA +PJ125250 AERRRRR C38H74N22O10 998.5959 NA PeJP NA NA +PJ125251 SPVKKERR C42H78N16O12 998.5986 NA PeJP NA NA +PJ125252 PVLLLKMW C50H82N10O9S 998.5987 NA PeJP NA NA +PJ125253 GLRRRRW C43H74N20O8 998.5999 NA PeJP NA NA +PJ125254 GVVLLLKEE C46H82N10O14 998.6012 NA PeJP NA NA +PJ125255 AALLLLKEE C46H82N10O14 998.6013 NA PeJP NA NA +PJ125256 APTLKKRW C47H78N14O10 998.6026 NA PeJP NA NA +PJ125257 PKMRRRR C40H78N20O8S 998.6033 NA PeJP NA NA +MJ099265 Dolastatin 11; 10-N-Me C51H82N8O12 998.60522 NA MeJP NA NA +PJ125258 VTKKKKMH C44H82N14O10S 998.6059 NA PeJP NA NA +PJ125259 PTLLLMRR C44H82N14O10S 998.606 NA PeJP NA NA +PJ125260 LLLLRWW C52H78N12O8 998.6066 NA PeJP NA NA +PJ125261 AALKERRR C41H78N18O11 998.6098 NA PeJP NA NA +PJ125262 VLLLKEER C45H82N12O13 998.6125 NA PeJP NA NA +PJ125263 LLQKRRW C46H78N16O9 998.6138 NA PeJP NA NA +PJ125264 VVLLLKEW C50H82N10O11 998.6165 NA PeJP NA NA +PJ125265 APLKKMRR C43H82N16O9S 998.6172 NA PeJP NA NA +PJ125266 APTLLLLKM C47H86N10O11S 998.6199 NA PeJP NA NA +PJ125267 VKERRRR C40H78N20O10 998.621 NA PeJP NA NA +PJ125268 SLLLLERR C44H82N14O12 998.6237 NA PeJP NA NA +PJ125269 VVKRRRW C45H78N18O8 998.625 NA PeJP NA NA +PJ125270 SVLLLLRW C49H82N12O10 998.6277 NA PeJP NA NA +PJ125271 LLLLLQMR C46H86N12O10S 998.6311 NA PeJP NA NA +PJ125272 SLRRRRR C39H78N22O9 998.6323 NA PeJP NA NA +PJ125273 GLLKKERR C43H82N16O11 998.6349 NA PeJP NA NA +PJ125274 ALLDKKRR C43H82N16O11 998.635 NA PeJP NA NA +PJ125275 GTLLLLLKE C47H86N10O13 998.6376 NA PeJP NA NA +PJ125276 GVLLKKRW C48H82N14O9 998.639 NA PeJP NA NA +PJ125277 VVLLLMRR C45H86N14O9S 998.6423 NA PeJP NA NA +PJ125278 GTLLKRRR C42H82N18O10 998.6462 NA PeJP NA NA +PJ125279 GTTLLLLLR C46H86N12O12 998.6489 NA PeJP NA NA +PJ125280 LLKKRRW C47H82N16O8 998.6502 NA PeJP NA NA +PJ125281 TLLLLLKW C51H86N10O10 998.6529 NA PeJP NA NA +MJ099266 Antibiotic IB 96212 C54H94O16 998.654186 NA MeJP NA NA +PJ125282 GVLLLLLKM C48H90N10O10S 998.6563 NA PeJP NA NA +PJ125283 QKKKRRR C41H82N20O9 998.6574 NA PeJP NA NA +PJ125284 VVLKKKER C45H86N14O11 998.6601 NA PeJP NA NA +PJ125285 ALLLKKKW C50H86N12O9 998.6641 NA PeJP NA NA +PJ125286 LLLLLKMR C47H90N12O9S 998.6675 NA PeJP NA NA +PJ125287 SVLLKKRR C44H86N16O10 998.6713 NA PeJP NA NA +PJ125288 SSLLLLLLK C48H90N10O12 998.674 NA PeJP NA NA +PJ125289 GVKKKKRR C43H86N18O9 998.6826 NA PeJP NA NA +PJ125290 GSLLLLKKK C47H90N12O11 998.6852 NA PeJP NA NA +PJ125291 LLLKKKKE C47H90N12O11 998.6853 NA PeJP NA NA +PJ125292 KKKKRRR C42H86N20O8 998.6938 NA PeJP NA NA +PJ125293 TLLLKKKR C46H90N14O10 998.6965 NA PeJP NA NA +PJ125294 ALKKKKKR C45H90N16O9 998.7077 NA PeJP NA NA +PJ125295 VLKKKKKK C47H94N14O9 998.7329 NA PeJP NA NA +HMDB10553 TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C67H98O6 998.736328 NA HMDB2010 NA NA +HMDB10559 TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] C67H98O6 998.736328 NA HMDB2010 NA NA +PJ125296 CCCCCCCEM C31H53N9O12S8 999.158 NA PeJP NA NA +PJ125297 PCCCCCCCY C35H53N9O11S7 999.191 NA PeJP NA NA +PJ125298 TCCCCCCMM C32H57N9O11S8 999.1944 NA PeJP NA NA +PJ125299 GCCCCCDMY C35H53N9O13S6 999.2087 NA PeJP NA NA +PJ125300 ACCCCCCEY C35H53N9O13S6 999.2088 NA PeJP NA NA +PJ125301 SCCCCDDDH C33H49N11O17S4 999.2191 NA PeJP NA NA +PJ125302 PCCCCCCEH C34H53N11O12S6 999.22 NA PeJP NA NA +PJ125303 PCCCDDDDD C34H49N9O20S3 999.2256 NA PeJP NA NA +PJ125304 SSCCCCCEY C35H53N9O15S5 999.2265 NA PeJP NA NA +PJ125305 GCCCCCMMF C36H57N9O10S7 999.2274 NA PeJP NA NA +PJ125306 GCCCCDEMH C34H53N11O14S5 999.2377 NA PeJP NA NA +PJ125307 ACCCCDDMH C34H53N11O14S5 999.2378 NA PeJP NA NA +PJ125308 GCCCCCDFF C39H53N9O12S5 999.2418 NA PeJP NA NA +PJ125309 GCDDDDDDM C34H49N9O22S2 999.2434 NA PeJP NA NA +PJ125310 GSCCCCMMY C36H57N9O12S6 999.2451 NA PeJP NA NA +PJ125311 SCCCCCNQH C33H53N13O13S5 999.249 NA PeJP NA NA +PJ125312 CCCCDMHW C38H53N11O11S5 999.253 NA PeJP NA NA +PJ125313 SCCNNDDDD C33H49N11O21S2 999.2546 NA PeJP NA NA +PJ125314 SSCCCDDMH C34H53N11O16S4 999.2555 NA PeJP NA NA +PJ125315 PTCCCCCMH C35H57N11O11S6 999.2564 NA PeJP NA NA +PJ125316 CCDDDDEW C38H49N9O19S2 999.2587 NA PeJP NA NA +PJ125317 CCCCNEYY C39H53N9O14S4 999.2595 NA PeJP NA NA +PJ125318 SSCDDDDDE C34H49N9O24S 999.2612 NA PeJP NA NA +PJ125319 SPCCDDDDM C35H53N9O19S3 999.262 NA PeJP NA NA +PJ125320 SSTCCCCMY C36H57N9O14S5 999.2629 NA PeJP NA NA +PJ125321 GSSSCCCCNH C33H53N13O15S4 999.2667 NA PeJP NA NA +PJ125322 GPCCCCNDW C38H53N11O13S4 999.2708 NA PeJP NA NA +PJ125323 GCCNNDDEM C34H53N11O18S3 999.2733 NA PeJP NA NA +PJ125324 GSCCCEMMH C35H57N11O13S5 999.2741 NA PeJP NA NA +PJ125325 GCCCCYYW C43H53N9O11S4 999.2748 NA PeJP NA NA +PJ125326 GSSCCCDYY C39H53N9O16S3 999.2773 NA PeJP NA NA +PJ125327 CCCCQMFY C40H57N9O11S5 999.2781 NA PeJP NA NA +PJ125328 GACCCCMFY C40H57N9O11S5 999.2782 NA PeJP NA NA +PJ125329 GSDDDDDMM C35H53N9O21S2 999.2798 NA PeJP NA NA +PJ125330 GPCCDDEMM C36H57N9O16S4 999.2807 NA PeJP NA NA +PJ125331 GCCCCNNHF C37H53N13O12S4 999.282 NA PeJP NA NA +PJ125332 GCCCNDDDR C33H53N13O17S3 999.2845 NA PeJP NA NA +PJ125333 SCCCCCNKH C34H57N13O12S5 999.2854 NA PeJP NA NA +PJ125334 CCNNDDMW C38H53N11O15S3 999.2885 NA PeJP NA NA +PJ125335 SCCCMMHW C39H57N11O10S5 999.2894 NA PeJP NA NA +PJ125336 SSCNNDDDM C34H53N11O20S2 999.291 NA PeJP NA NA +PJ125337 SSSCCDMMH C35H57N11O15S4 999.2919 NA PeJP NA NA +PJ125338 CCNMMMMH C36H61N11O10S6 999.2928 NA PeJP NA NA +PJ125339 GTCCCCHHH C36H53N15O11S4 999.2932 NA PeJP NA NA +PJ125340 NDDDDDEY C38H49N9O23 999.2942 NA PeJP NA NA +PJ125341 SCDDDEMW C39H53N9O18S2 999.295 NA PeJP NA NA +PJ125342 APCCDDDDF C39H53N9O18S2 999.2951 NA PeJP NA NA +PJ125343 PCCDDMMW C40H57N9O13S4 999.2959 NA PeJP NA NA +PJ125344 SSSDDDDEM C35H53N9O23S 999.2975 NA PeJP NA NA +HMDB03945 (2E)-Hexadecenoyl-CoA C37H60N7O17P3S 999.29791 http://www.hmdb.ca/metabolites/HMDB03945 HMDB NA NA +HMDB03945 (2E)-Hexadecenoyl-CoA C37H60N7O17P3S 999.29791 HMDB03945 PFEM_hmdb_metabocards_official NA NA +HMDB03945 (2E)-Hexadecenoyl-CoA C37H60N7O17P3S 999.297913 NA HMDB2010 NA NA +PJ125345 NDDDEMMM C36H57N9O18S3 999.2984 NA PeJP NA NA +PJ125346 GSCDDDDHH C36H49N13O19S 999.2989 NA PeJP NA NA +PJ125347 SPPCCCEMM C37H61N9O13S5 999.2993 NA PeJP NA NA +PJ125348 GSCCCNNNW C37H53N13O14S3 999.2997 NA PeJP NA NA +PJ125349 GGGSCCCNNW C37H53N13O14S3 999.2998 NA PeJP NA NA +PJ125350 GSSSCCNNND C33H53N13O19S2 999.3022 NA PeJP NA NA +PJ125351 GGGSSSCCNND C33H53N13O19S2 999.3023 NA PeJP NA NA +PJ125352 SPCCCCNDR C34H57N13O14S4 999.3031 NA PeJP NA NA +PJ125353 GGGGGGGGGCCMM C34H57N13O14S4 999.3032 NA PeJP NA NA +PJ125354 GCCCNEWW C42H53N11O12S3 999.3038 NA PeJP NA NA +PJ125355 GPDDDDDDH C37H49N11O22 999.3054 NA PeJP NA NA +PJ125356 GSSCCNDEW C38H53N11O17S2 999.3063 NA PeJP NA NA +PJ125357 GSPCCCNMW C39H57N11O12S4 999.3071 NA PeJP NA NA +PJ125358 GGGSPCCCMW C39H57N11O12S4 999.3072 NA PeJP NA NA +PJ125359 GSSSSCNDDE C34H53N11O22S 999.3088 NA PeJP NA NA +PJ125360 GDDDDDYW C42H49N9O20 999.3094 NA PeJP NA NA +PJ125361 GSCNNDEMM C35H57N11O17S3 999.3096 NA PeJP NA NA +PJ125362 CDDDDMMR C35H57N11O17S3 999.3097 NA PeJP NA NA +PJ125363 PCCDDDFW C43H53N9O15S2 999.3103 NA PeJP NA NA +PJ125364 GSTCCMMMH C36H61N11O12S5 999.3105 NA PeJP NA NA +PJ125365 SSSCCCHHH C36H53N15O13S3 999.311 NA PeJP NA NA +PJ125366 CCCCQFFF C44H57N9O10S4 999.3112 NA PeJP NA NA +PJ125367 GSPCDDDEY C39H53N9O20S 999.3128 NA PeJP NA NA +PJ125368 ASSTCCCYY C40H57N9O15S3 999.3136 NA PeJP NA NA +PJ125369 GDDDMMMW C40H57N9O15S3 999.3137 NA PeJP NA NA +PJ125370 ACCCCNNNR C33H57N15O13S4 999.3143 NA PeJP NA NA +PJ125371 GCCCCNNQR C33H57N15O13S4 999.3144 NA PeJP NA NA +PJ125372 CCCCKMFY C41H61N9O10S5 999.3145 NA PeJP NA NA +PJ125373 PCCCDHHW C41H53N13O11S3 999.315 NA PeJP NA NA +PJ125374 GSSDDEEMM C36H57N9O20S2 999.3162 NA PeJP NA NA +PJ125375 GSPCDEMMM C37H61N9O15S4 999.317 NA PeJP NA NA +PJ125376 GCCNNNNDF C37H53N13O16S2 999.3175 NA PeJP NA NA +PJ125377 GPPCCMMMM C38H65N9O10S6 999.3179 NA PeJP NA NA +PJ125378 CCCCEHFR C38H57N13O11S4 999.3184 NA PeJP NA NA +PJ125379 CCCNWWW C46H53N11O9S3 999.319 NA PeJP NA NA +PJ125380 GSCCNDDMR C34H57N13O16S3 999.3209 NA PeJP NA NA +PJ125381 SSCCNDWW C42H53N11O14S2 999.3215 NA PeJP NA NA +PJ125382 GPCCCCQMR C35H61N13O11S5 999.3218 NA PeJP NA NA +PJ125383 ACCCMHFW C43H57N11O9S4 999.3224 NA PeJP NA NA +PJ125384 SSSSCNDDW C38H53N11O19S 999.324 NA PeJP NA NA +PJ125385 GGGGGGDDDMY C38H53N11O19S 999.3241 NA PeJP NA NA +PJ125386 SCNNDMMW C39H57N11O14S3 999.3249 NA PeJP NA NA +PJ125387 CCCNHHHF C40H53N15O10S3 999.3262 NA PeJP NA NA +PJ125388 GGCCCHHHF C40H53N15O10S3 999.3263 NA PeJP NA NA +PJ125389 SSSSSSNDDD C34H53N11O24 999.3265 NA PeJP NA NA +PJ125390 SSSNNDDMM C35H57N11O19S2 999.3274 NA PeJP NA NA +PJ125391 SPCDDDYW C43H53N9O17S 999.3281 NA PeJP NA NA +PJ125392 SSSSCMMMH C36H61N11O14S4 999.3283 NA PeJP NA NA +PJ125393 GSCCNNEHH C36H53N15O15S2 999.3287 NA PeJP NA NA +PJ125394 CCDDDHHR C36H53N15O15S2 999.3288 NA PeJP NA NA +PJ125395 CDEMMWW C44H57N9O12S3 999.3289 NA PeJP NA NA +PJ125396 SDDDQEEY C39H53N9O22 999.3305 NA PeJP NA NA +PJ125397 SNDDEEEY C39H53N9O22 999.3306 NA PeJP NA NA +PJ125398 SSDDEMMW C40H57N9O17S2 999.3314 NA PeJP NA NA +PJ125399 SSCCCNNNR C33H57N15O15S3 999.3321 NA PeJP NA NA +PJ125400 SPCDMMMW C41H61N9O12S4 999.3323 NA PeJP NA NA +PJ125401 GCDDMHHW C41H53N13O13S2 999.3328 NA PeJP NA NA +PJ125402 GPCCCCCRR C34H61N15O10S5 999.333 NA PeJP NA NA +PJ125403 SSSSDEEEM C36H57N9O22S 999.3339 NA PeJP NA NA +PJ125404 SNEEEMMM C37H61N9O17S3 999.3348 NA PeJP NA NA +PJ125405 GSCNNNNDY C37H53N13O18S 999.3353 NA PeJP NA NA +PJ125406 DDMMYYY C45H57N7O15S2 999.3354 NA PeJP NA NA +PJ125407 PNDMMMMM C38H65N9O12S5 999.3357 NA PeJP NA NA +PJ125408 SCCCNERW C38H57N13O13S3 999.3361 NA PeJP NA NA +PJ125409 SSSCCNDER C34H57N13O18S2 999.3386 NA PeJP NA NA +PJ125410 GGGGGGGSSSSCM C34H57N13O18S2 999.3387 NA PeJP NA NA +PJ125411 GCNNDEYW C42H53N11O16S 999.3393 NA PeJP NA NA +PJ125412 CCNNEMMR C35H61N13O13S4 999.3395 NA PeJP NA NA +PJ125413 MMMMMYY C43H65N7O10S5 999.3397 NA PeJP NA NA +PJ125414 GSCCQMWW C43H57N11O11S3 999.3402 NA PeJP NA NA +PJ125415 SDDDDDRY C38H53N11O21 999.3418 NA PeJP NA NA +PJ125416 ASSSCNDMW C39H57N11O16S2 999.3426 NA PeJP NA NA +PJ125417 GSSSCNEMW C39H57N11O16S2 999.3427 NA PeJP NA NA +PJ125418 CDDEFWW C47H53N9O14S 999.3433 NA PeJP NA NA +PJ125419 GCNQMMMW C40H61N11O11S4 999.3435 NA PeJP NA NA +PJ125420 SCCNNHHW C40H53N15O12S2 999.344 NA PeJP NA NA +PJ125421 ASSSSSNDDM C35H57N11O21S 999.3451 NA PeJP NA NA +PJ125422 GSSSSSNDEM C35H57N11O21S 999.3452 NA PeJP NA NA +PJ125423 GSDDEEYW C43H53N9O19 999.3458 NA PeJP NA NA +PJ125424 SDDDMMMR C36H61N11O16S3 999.346 NA PeJP NA NA +PJ125425 SSSCNNDHH C36H53N15O17S 999.3465 NA PeJP NA NA +PJ125426 GPCDEMYW C44H57N9O14S2 999.3467 NA PeJP NA NA +PJ125427 PCCEMMMR C37H65N11O11S5 999.3469 NA PeJP NA NA +PJ125428 CNNNMMHH C37H57N15O12S3 999.3474 NA PeJP NA NA +PJ125429 CCCCKFFF C45H61N9O9S4 999.3476 NA PeJP NA NA +PJ125430 CCEHHWW C45H53N13O10S2 999.348 NA PeJP NA NA +PJ125431 GNEEEEMY C40H57N9O19S 999.3492 NA PeJP NA NA +PJ125432 DDDFYYY C48H53N7O17 999.3498 NA PeJP NA NA +PJ125433 ASDEMMMW C41H61N9O14S3 999.35 NA PeJP NA NA +PJ125434 GSEEMMMW C41H61N9O14S3 999.3501 NA PeJP NA NA +PJ125435 SSCDEHHW C41H53N13O15S 999.3505 NA PeJP NA NA +PJ125436 CCCNDMRR C34H61N15O12S4 999.3507 NA PeJP NA NA +PJ125437 GGCCCDMRR C34H61N15O12S4 999.3508 NA PeJP NA NA +PJ125438 APCMMMMW C42H65N9O9S5 999.3509 NA PeJP NA NA +PJ125439 GSCCCRWW C42H57N13O10S3 999.3514 NA PeJP NA NA +PJ125440 ASSSEEEMM C37H61N9O19S2 999.3525 NA PeJP NA NA +PJ125441 GSSTEEEMM C37H61N9O19S2 999.3526 NA PeJP NA NA +PJ125442 SSSSDDEHH C37H53N13O20 999.353 NA PeJP NA NA +PJ125443 GGGGGGDEEEH C37H53N13O20 999.3531 NA PeJP NA NA +PJ125444 AQEEMMMM C38H65N9O14S4 999.3534 NA PeJP NA NA +PJ125445 GSSSCCDRW C38H57N13O15S2 999.3539 NA PeJP NA NA +PJ125446 DMMMFYY C46H61N7O12S3 999.3541 NA PeJP NA NA +PJ125447 CNNDYWW C46H53N11O13S 999.3545 NA PeJP NA NA +PJ125448 GCCNMMRW C39H61N13O10S4 999.3548 NA PeJP NA NA +PJ125449 GSSSSSCDDR C34H57N13O20S 999.3564 NA PeJP NA NA +PJ125450 SSNNDDYW C42H53N11O18 999.357 NA PeJP NA NA +PJ125451 GGGGSSDDYW C42H53N11O18 999.3571 NA PeJP NA NA +PJ125452 GSSCNDMMR C35H61N13O15S3 999.3573 NA PeJP NA NA +PJ125453 GCNNNNNNH C35H53N17O16S 999.3577 NA PeJP NA NA +PJ125454 GGGGGGGCNNNH C35H53N17O16S 999.3578 NA PeJP NA NA +PJ125455 SSSCNMWW C43H57N11O13S2 999.3579 NA PeJP NA NA +PJ125456 GPCCCCKMR C36H65N13O10S5 999.3581 NA PeJP NA NA +PJ125457 CCCNQHHR C36H57N17O11S3 999.3586 NA PeJP NA NA +PJ125458 SSSSSNDMW C39H57N11O18S 999.3604 NA PeJP NA NA +PJ125459 SDDEYWW C47H53N9O16 999.3611 NA PeJP NA NA +PJ125460 SSNNMMMW C40H61N11O13S3 999.3613 NA PeJP NA NA +PJ125461 CNNNDHHF C40H53N15O14S 999.3618 NA PeJP NA NA +PJ125462 PCDMYWW C48H57N9O11S2 999.3619 NA PeJP NA NA +PJ125463 SSSSSSSNEE C35H57N11O23 999.3629 NA PeJP NA NA +PJ125464 SSSSNQEMM C36H61N11O18S2 999.3638 NA PeJP NA NA +HMDB01986 Lacto-N-difucopentaose II C38H65NO29 999.364197 NA HMDB2010 NA NA +HMDB06580 Lacto-N-difucohexaose C38H65NO29 999.364197 NA HMDB2010 NA NA +PJ125465 ASNNNNDDH C36H53N15O19 999.3642 NA PeJP NA NA +HMDB01986 Lacto-N-difucopentaose II C38H65NO29 999.36426 http://www.hmdb.ca/metabolites/HMDB01986 HMDB NA NA +HMDB06580 Lacto-N-difucohexaose C38H65NO29 999.36426 http://www.hmdb.ca/metabolites/HMDB06580 HMDB NA NA +HMDB01986 Lacto-N-difucopentaose II C38H65NO29 999.36426 HMDB01986 PFEM_hmdb_metabocards_official NA NA +HMDB06580 Lacto-N-difucohexaose C38H65NO29 999.36426 HMDB06580 PFEM_hmdb_metabocards_official NA NA +PJ125466 NNDDDDHR C36H53N15O19 999.3643 NA PeJP NA NA +PJ125467 NEEEMYW C44H57N9O16S 999.3644 NA PeJP NA NA +PJ125468 GGPDDDMFF C44H57N9O16S 999.3645 NA PeJP NA NA +PJ125469 SNQQMMMM C37H65N11O13S4 999.3646 NA PeJP NA NA +PJ125470 GDEMMMMR C37H65N11O13S4 999.3647 NA PeJP NA NA +PJ125471 CCNNNNRY C37H57N15O14S2 999.3651 NA PeJP NA NA +PJ125472 GGGGGGGGCCRY C37H57N15O14S2 999.3652 NA PeJP NA NA +PJ125473 SEMMMWW C45H61N9O11S3 999.3653 NA PeJP NA NA +PJ125474 ACCCCRRW C38H61N15O9S4 999.366 NA PeJP NA NA +PJ125475 SSQEEEEY C40H57N9O21 999.3669 NA PeJP NA NA +PJ125476 SPPPDDDEE C40H57N9O21 999.367 NA PeJP NA NA +PJ125477 SSTEEMMW C41H61N9O16S2 999.3678 NA PeJP NA NA +PJ125478 GNNDEEHW C41H53N13O17 999.3683 NA PeJP NA NA +PJ125479 PCEYYYY C49H57N7O14S 999.3684 NA PeJP NA NA +PJ125480 DDMFFYY C49H57N7O14S 999.3685 NA PeJP NA NA +PJ125481 AAEMMMMW C42H65N9O11S4 999.3687 NA PeJP NA NA +PJ125482 GCCNDFRW C42H57N13O12S2 999.3692 NA PeJP NA NA +PJ125483 SSSTTEEEM C37H61N9O21S 999.3703 NA PeJP NA NA +PJ125484 SDKEEMMM C38H65N9O16S3 999.3712 NA PeJP NA NA +PJ125485 SCNNDERY C38H57N13O17S 999.3716 NA PeJP NA NA +PJ125486 GGSCNDERY C38H57N13O17S 999.3717 NA PeJP NA NA +PJ125487 TEMMYYY C46H61N7O14S2 999.3718 NA PeJP NA NA +PJ125488 PTQMMMMM C39H69N9O11S5 999.372 NA PeJP NA NA +PJ125489 GAPTMMMMM C39H69N9O11S5 999.3721 NA PeJP NA NA +PJ125490 SSCCQMRW C39H61N13O12S3 999.3725 NA PeJP NA NA +PJ125491 MMMMFFY C47H65N7O9S4 999.3727 NA PeJP NA NA +PJ125492 SCNEHHHH C39H53N17O13S 999.373 NA PeJP NA NA +PJ125493 CNNMFWW C47H57N11O10S2 999.3732 NA PeJP NA NA +MJ099267 Antibiotic A 2121; Antibiotic A2121-3, 12a-O-Deglycosyl C49H61NO21 999.373608 NA MeJP NA NA +PJ125494 GSSSSSSSSNN C34H57N13O22 999.3741 NA PeJP NA NA +PJ125495 GGGGGSSSSSSSS C34H57N13O22 999.3742 NA PeJP NA NA +PJ125496 SSSSCNEMR C35H61N13O17S2 999.375 NA PeJP NA NA +PJ125497 GSSSSTCWW C43H57N11O15S 999.3757 NA PeJP NA NA +PJ125498 SCNQMMMR C36H65N13O12S4 999.3759 NA PeJP NA NA +PJ125499 GSSCCNHHR C36H57N17O13S2 999.3764 NA PeJP NA NA +PJ125500 GSCCKMWW C44H61N11O10S3 999.3765 NA PeJP NA NA +PJ125501 GGPCCCKFW C44H61N11O10S3 999.3766 NA PeJP NA NA +PJ125502 GSSSSSSSEW C39H57N11O20 999.3782 NA PeJP NA NA +PJ125503 GSSSSQMMW C40H61N11O15S2 999.379 NA PeJP NA NA +PJ125504 GGGGGAAEMMY C40H61N11O15S2 999.3791 NA PeJP NA NA +PJ125505 SNNNNDHW C40H53N15O16 999.3795 NA PeJP NA NA +PJ125506 GEEMYWW C48H57N9O13S 999.3797 NA PeJP NA NA +PJ125507 DMMMMRW C41H65N11O10S4 999.3799 NA PeJP NA NA +PJ125508 PCMMFWW C49H61N9O8S3 999.3806 NA PeJP NA NA +PJ125509 GSSSSSTQEM C36H61N11O20S 999.3815 NA PeJP NA NA +PJ125510 GSTEEEYW C44H57N9O18 999.3822 NA PeJP NA NA +PJ125511 SSEEMMMR C37H65N11O15S3 999.3824 NA PeJP NA NA +PJ125512 GSPCNDDHR C37H57N15O16S 999.3829 NA PeJP NA NA +PJ125513 GSPEMMYW C45H61N9O13S2 999.3831 NA PeJP NA NA +PJ125514 PTCMMMMR C38H69N11O10S5 999.3833 NA PeJP NA NA +PJ125515 NNDEHWW C45H53N13O14 999.3835 NA PeJP NA NA +PJ125516 SSCCCRRW C38H61N15O11S3 999.3838 NA PeJP NA NA +PJ125517 CLMMMWW C46H65N9O8S4 999.3839 NA PeJP NA NA +PJ125518 TCMHHWW C46H57N13O9S2 999.3844 NA PeJP NA NA +PJ125519 GDKEEEMY C41H61N9O18S 999.3856 NA PeJP NA NA +PJ125520 AEEYYYY C49H57N7O16 999.3862 NA PeJP NA NA +PJ125521 ATTEMMMW C42H65N9O13S3 999.3864 NA PeJP NA NA +PJ125522 GSCNDRYW C42H57N13O14S 999.3869 NA PeJP NA NA +PJ125523 DMMFFFY C50H61N7O11S2 999.3871 NA PeJP NA NA +PJ125524 QMMMHHW C43H61N13O9S3 999.3878 NA PeJP NA NA +PJ125525 GSCHHHHW C43H53N17O10S 999.3883 NA PeJP NA NA +MJ099268 Urdamycin D C53H61NO18 999.388864 NA MeJP NA NA +PJ125526 SSSSLEEMM C38H65N9O18S2 999.3889 NA PeJP NA NA +PJ125527 GSSSNDDRY C38H57N13O19 999.3894 NA PeJP NA NA +PJ125528 AKEEMMMM C39H69N9O13S4 999.3898 NA PeJP NA NA +PJ125529 GSSSSCMRW C39H61N13O14S2 999.3903 NA PeJP NA NA +PJ125530 VMMMYYY C47H65N7O11S3 999.3904 NA PeJP NA NA +PJ125531 GSSSDHHHH C39H53N17O15 999.3908 NA PeJP NA NA +PJ125532 SNNMYWW C47H57N11O12S 999.3909 NA PeJP NA NA +PJ125533 ACCCKMRW C40H65N13O9S4 999.3912 NA PeJP NA NA +PJ125534 GNMMHHHH C40H57N17O10S2 999.3916 NA PeJP NA NA +PJ125535 GSSSSSSDMR C35H61N13O19S 999.3928 NA PeJP NA NA +PJ125536 SSSSSSSWW C43H57N11O17 999.3934 NA PeJP NA NA +PJ125537 GGGGPPDEEW C43H57N11O17 999.3935 NA PeJP NA NA +PJ125538 GSSSNMMMR C36H65N13O14S3 999.3936 NA PeJP NA NA +PJ125539 GGGSSSMMMR C36H65N13O14S3 999.3937 NA PeJP NA NA +PJ125540 CNNNNEHR C36H57N17O15S 999.3941 NA PeJP NA NA +PJ125541 GGGGGGGGCEHR C36H57N17O15S 999.3942 NA PeJP NA NA +PJ125542 SSTCCKWW C44H61N11O12S2 999.3943 NA PeJP NA NA +PJ125543 GPDDHHHW C44H53N15O13 999.3948 NA PeJP NA NA +PJ125544 EMYWWW C52H57N9O10S 999.3949 NA PeJP NA NA +PJ125545 PCDFFWW C52H57N9O10S 999.395 NA PeJP NA NA +PJ125546 SSSSSTQMW C40H61N11O17S 999.3968 NA PeJP NA NA +PJ125547 STEEYWW C48H57N9O15 999.3974 NA PeJP NA NA +PJ125548 GGPEEYYW C48H57N9O15 999.3975 NA PeJP NA NA +PJ125549 SSCQKMMW C41H65N11O12S3 999.3977 NA PeJP NA NA +PJ125550 GNNNQMHW C41H57N15O13S 999.3981 NA PeJP NA NA +PJ125551 GGGGGNQMHW C41H57N15O13S 999.3982 NA PeJP NA NA +PJ125552 SPMMYWW C49H61N9O10S2 999.3983 NA PeJP NA NA +PJ125553 TCCCCRRR C34H65N17O10S4 999.3984 NA PeJP NA NA +PJ125554 GNDHWWW C49H53N13O11 999.3988 NA PeJP NA NA +PJ125555 CMMHHRW C42H61N15O8S3 999.399 NA PeJP NA NA +PJ125556 SSSSSSSDKE C36H61N11O22 999.3993 NA PeJP NA NA +PJ125557 STTTTCQQM C37H65N11O17S2 999.4001 NA PeJP NA NA +PJ125558 SSSSNKEMM C37H65N11O17S2 999.4002 NA PeJP NA NA +PJ125559 SNNDEEHR C37H57N15O18 999.4006 NA PeJP NA NA +PJ125560 GGSNDEEHR C37H57N15O18 999.4007 NA PeJP NA NA +PJ125561 DKEEMYW C45H61N9O15S 999.4008 NA PeJP NA NA +PJ125562 ATEMMMMR C38H69N11O12S4 999.401 NA PeJP NA NA +PJ125563 GGGGTKMMMM C38H69N11O12S4 999.4011 NA PeJP NA NA +PJ125564 GCCNERRY C38H61N15O13S2 999.4015 NA PeJP NA NA +PJ125565 AAPMMMYW C46H65N9O10S3 999.4017 NA PeJP NA NA +PJ125566 NNNNNHHH C38H53N19O14 999.402 NA PeJP NA NA +PJ125567 GSPCQHWW C46H57N13O11S 999.4022 NA PeJP NA NA +PJ125568 ACCHHHHR C39H57N19O9S2 999.4029 NA PeJP NA NA +PJ125569 SSKEEEEY C41H61N9O20 999.4033 NA PeJP NA NA +PJ125570 TTTTEMMW C42H65N9O15S2 999.4042 NA PeJP NA NA +PJ125571 GNNNQQYY C42H57N13O16 999.4046 NA PeJP NA NA +PJ125572 DEEEHRW C42H57N13O16 999.4047 NA PeJP NA NA +PJ125573 PTMYYYY C50H61N7O13S 999.4048 NA PeJP NA NA +PJ125574 GSSTCCMRR C35H65N15O13S3 999.4049 NA PeJP NA NA +PJ125575 GTLMMMMW C43H69N9O10S4 999.4051 NA PeJP NA NA +PJ125576 CNQMRYW C43H61N13O11S2 999.4055 NA PeJP NA NA +PJ125577 GGGGAPMMHW C43H61N13O11S2 999.4056 NA PeJP NA NA +PJ125578 MMMFFFF C51H65N7O8S3 999.4057 NA PeJP NA NA +PJ125579 GNDHHHHF C43H53N17O12 999.406 NA PeJP NA NA +PJ125580 CNHFFFW C51H57N11O9S 999.4062 NA PeJP NA NA +PJ125581 STTTTTEEM C38H65N9O20S 999.4067 NA PeJP NA NA +PJ125582 SPTTTTMMM C39H69N9O15S3 999.4075 NA PeJP NA NA +PJ125583 TTKEEMMM C39H69N9O15S3 999.4076 NA PeJP NA NA +PJ125584 SSSSSTCRW C39H61N13O16S 999.408 NA PeJP NA NA +PJ125585 GGGGGGGSTCKY C39H61N13O16S 999.4081 NA PeJP NA NA +PJ125586 PTKMMMMM C40H73N9O10S5 999.4084 NA PeJP NA NA +PJ125587 GSSSQYWW C47H57N11O14 999.4087 NA PeJP NA NA +PJ125588 SSCCKMRW C40H65N13O11S3 999.4089 NA PeJP NA NA +PJ125589 GCNNNHRW C40H57N17O12S 999.4094 NA PeJP NA NA +PJ125590 CCQKFWW C48H61N11O9S2 999.4096 NA PeJP NA NA +PJ125591 SSSSSSSSER C35H61N13O21 999.4105 NA PeJP NA NA +PJ125592 SSSSSQMMR C36H65N13O16S2 999.4114 NA PeJP NA NA +PJ125593 GSSNNNDHR C36H57N17O17 999.4119 NA PeJP NA NA +PJ125594 GSTQQMYW C44H61N11O14S 999.412 NA PeJP NA NA +PJ125595 SEEMRYW C44H61N11O14S 999.4121 NA PeJP NA NA +PJ125596 SCNKMMMR C37H69N13O11S4 999.4123 NA PeJP NA NA +PJ125597 GPEYYWW C52H57N9O12 999.4127 NA PeJP NA NA +PJ125598 PCCNDHRR C37H61N17O12S2 999.4128 NA PeJP NA NA +PJ125599 APPMMMHW C45H65N11O9S3 999.4129 NA PeJP NA NA +PJ125600 CDHHFRW C45H57N15O10S 999.4134 NA PeJP NA NA +PJ125601 GSSSSSTTTW C40H61N11O19 999.4145 NA PeJP NA NA +PJ125602 SSTEEERY C40H61N11O19 999.4146 NA PeJP NA NA +PJ125603 GSSSSKMMW C41H65N11O14S2 999.4154 NA PeJP NA NA +PJ125604 GGGGAPPPEMM C41H65N11O14S2 999.4155 NA PeJP NA NA +PJ125605 GSNDEHRW C41H57N15O15 999.4159 NA PeJP NA NA +PJ125606 SVEMYWW C49H61N9O12S 999.4161 NA PeJP NA NA +PJ125607 ACCKKMMW C42H69N11O9S4 999.4163 NA PeJP NA NA +PJ125608 CCNRRYW C42H61N15O10S2 999.4168 NA PeJP NA NA +PJ125609 GMHHFWW C50H57N13O8S 999.4174 NA PeJP NA NA +PJ125610 GSSSSSTKEM C37H65N11O19S 999.4179 NA PeJP NA NA +PJ125611 SSSLEEYW C45H61N9O17 999.4186 NA PeJP NA NA +PJ125612 TTTEMMMR C38H69N11O14S3 999.4188 NA PeJP NA NA +PJ125613 SSCNDRRY C38H61N15O15S 999.4193 NA PeJP NA NA +PJ125614 LQEMMYW C46H65N9O12S2 999.4194 NA PeJP NA NA +PJ125615 AAVEMMYW C46H65N9O12S2 999.4195 NA PeJP NA NA +PJ125616 GLMMMMMR C39H73N11O9S5 999.4197 NA PeJP NA NA +PJ125617 SQQEHWW C46H57N13O13 999.4199 NA PeJP NA NA +PJ125618 GCCQMFRR C39H65N15O10S3 999.4201 NA PeJP NA NA +PJ125619 GGACCMFRR C39H65N15O10S3 999.4202 NA PeJP NA NA +PJ125620 SSCHHHHR C39H57N19O11S 999.4206 NA PeJP NA NA +PJ125621 STLQEEMY C42H65N9O17S 999.4219 NA PeJP NA NA +PJ125622 ATKEEEMY C42H65N9O17S 999.422 NA PeJP NA NA +PJ125623 SLEYYYY C50H61N7O15 999.4226 NA PeJP NA NA +PJ125624 STTLMMMW C43H69N9O12S3 999.4228 NA PeJP NA NA +PJ125625 GSSNMRYW C43H61N13O13S 999.4233 NA PeJP NA NA +PJ125626 VMMFFYY C51H65N7O10S2 999.4235 NA PeJP NA NA +PJ125627 PPNDWWW C51H57N11O11 999.4239 NA PeJP NA NA +PJ125628 GGGGAFYWW C51H57N11O11 999.424 NA PeJP NA NA +PJ125629 KMMMHHW C44H65N13O8S3 999.4242 NA PeJP NA NA +PJ125630 SSTTTLEMM C39H69N9O17S2 999.4253 NA PeJP NA NA +PJ125631 GSSSSQERY C39H61N13O18 999.4258 NA PeJP NA NA +PJ125632 SLKEMMMM C40H73N9O12S4 999.4262 NA PeJP NA NA +PJ125633 GSQQMMRY C40H65N13O13S2 999.4266 NA PeJP NA NA +PJ125634 DEMMRRY C40H65N13O13S2 999.4267 NA PeJP NA NA +PJ125635 SPDDHHHR C40H57N17O14 999.4271 NA PeJP NA NA +PJ125636 GGGGGGVEHHH C40H57N17O14 999.4272 NA PeJP NA NA +PJ125637 SCQKYWW C48H61N11O11S 999.4273 NA PeJP NA NA +PJ125638 PYYWWW C56H57N9O9 999.428 NA PeJP NA NA +PJ125639 GSSSSSTTMR C36H65N13O18S 999.4292 NA PeJP NA NA +PJ125640 SSSNKEYW C44H61N11O16 999.4298 NA PeJP NA NA +PJ125641 GSSTCKMMR C37H69N13O13S3 999.43 NA PeJP NA NA +PJ125642 GNDDMHRR C37H61N17O14S 999.4305 NA PeJP NA NA +PJ125643 VDMMRYW C45H65N11O11S2 999.4307 NA PeJP NA NA +PJ125644 SNDHRWW C45H57N15O12 999.4311 NA PeJP NA NA +PJ125645 GGSDHRWW C45H57N15O12 999.4312 NA PeJP NA NA +PJ125646 APMFYWW C53H61N9O9S 999.4313 NA PeJP NA NA +PJ125647 GCCCFRRR C38H65N17O9S3 999.4314 NA PeJP NA NA +PJ125648 SSSSSTKMW C41H65N11O16S 999.4332 NA PeJP NA NA +PJ125649 PDKEYYW C49H61N9O14 999.4338 NA PeJP NA NA +PJ125650 GGAPEEFFF C49H61N9O14 999.4339 NA PeJP NA NA +PJ125651 SSCKKMMW C42H69N11O11S3 999.4341 NA PeJP NA NA +PJ125652 NQEMHRW C42H61N15O12S 999.4345 NA PeJP NA NA +PJ125653 GGGGGGPPCRW C42H61N15O12S 999.4346 NA PeJP NA NA +PJ125654 ALMMYWW C50H65N9O9S2 999.4347 NA PeJP NA NA +PJ125655 GTQHWWW C50H57N13O10 999.4352 NA PeJP NA NA +PJ125656 SSSSSSTTKE C37H65N11O21 999.4357 NA PeJP NA NA +PJ125657 SSSTTQKMM C38H69N11O16S2 999.4365 NA PeJP NA NA +PJ125658 SSSSDKKMM C38H69N11O16S2 999.4366 NA PeJP NA NA +PJ125659 SSQQEEHR C38H61N15O17 999.437 NA PeJP NA NA +PJ125660 GGGGGGPQEER C38H61N15O17 999.4371 NA PeJP NA NA +PJ125661 GTTLEMYW C46H65N9O14S 999.4372 NA PeJP NA NA +PJ125662 STLMMMMR C39H73N11O11S4 999.4374 NA PeJP NA NA +PJ125663 PTFFYYY C54H61N7O12 999.4378 NA PeJP NA NA +PJ125664 VDFFFYY C54H61N7O12 999.4379 NA PeJP NA NA +PJ125665 AALMMMFW C47H69N9O9S3 999.4381 NA PeJP NA NA +PJ125666 GNNEHHHR C39H57N19O13 999.4384 NA PeJP NA NA +PJ125667 VNQMHWW C47H61N13O10S 999.4385 NA PeJP NA NA +PJ125668 GGVQMHWW C47H61N13O10S 999.4386 NA PeJP NA NA +PJ125669 TTTKEEEY C42H65N9O19 999.4397 NA PeJP NA NA +PJ125670 GLKEEMMY C43H69N9O14S2 999.4406 NA PeJP NA NA +PJ125671 SSSSQRYW C43H61N13O15 999.441 NA PeJP NA NA +PJ125672 GGSPPDERW C43H61N13O15 999.4411 NA PeJP NA NA +PJ125673 VVMYYYY C51H65N7O12S 999.4412 NA PeJP NA NA +PJ125674 PCLKMMMF C44H73N9O9S4 999.4415 NA PeJP NA NA +PJ125675 SCNNNHRR C36H61N19O13S 999.4417 NA PeJP NA NA +PJ125676 GGGGSCNHRR C36H61N19O13S 999.4418 NA PeJP NA NA +PJ125677 CNKMRYW C44H65N13O10S2 999.4419 NA PeJP NA NA +PJ125678 QQQHHHW C44H57N17O11 999.4424 NA PeJP NA NA +PJ125679 PPMHFWW C52H61N11O8S 999.4426 NA PeJP NA NA +PJ125680 SSSTLLMMM C40H73N9O14S3 999.4439 NA PeJP NA NA +PJ125681 SSNDKMRY C40H65N13O15S 999.4444 NA PeJP NA NA +PJ125682 GGGGGGGPPKEM C40H65N13O15S 999.4445 NA PeJP NA NA +PJ125683 VVKMMMMM C41H77N9O9S5 999.4448 NA PeJP NA NA +PJ125684 GSSSKYWW C48H61N11O13 999.4451 NA PeJP NA NA +PJ125685 PCCCKKRY C41H69N13O10S3 999.4453 NA PeJP NA NA +PJ125686 CNEHRRW C41H61N17O11S 999.4458 NA PeJP NA NA +PJ125687 CCKKFWW C49H65N11O8S2 999.4459 NA PeJP NA NA +PJ125688 PTHHHWW C49H57N15O9 999.4464 NA PeJP NA NA +PJ125689 SSSSSSTTTR C36H65N13O20 999.4469 NA PeJP NA NA +PJ125690 SSSSSKMMR C37H69N13O15S2 999.4478 NA PeJP NA NA +PJ125691 SSNDEHRR C37H61N17O16 999.4483 NA PeJP NA NA +PJ125692 GSTQKMYW C45H65N11O13S 999.4484 NA PeJP NA NA +PJ125693 AVVEEMHW C45H65N11O13S 999.4485 NA PeJP NA NA +PJ125694 TCCKKMMR C38H73N13O10S4 999.4487 NA PeJP NA NA +PJ125695 SPVYYWW C53H61N9O11 999.4491 NA PeJP NA NA +PJ125696 VMMMFRW C46H69N11O8S3 999.4493 NA PeJP NA NA +PJ125697 GQMHRWW C46H61N15O9S 999.4498 NA PeJP NA NA +PJ125698 TTTTEERY C41H65N11O18 999.4509 NA PeJP NA NA +PJ125699 SLKEEEEH C41H65N11O18 999.451 NA PeJP NA NA +PJ125700 GTLEMMRY C42H69N11O13S2 999.4518 NA PeJP NA NA +PJ125701 GSTQEHRW C42H61N15O14 999.4523 NA PeJP NA NA +PJ125702 TTLMYWW C50H65N9O11S 999.4525 NA PeJP NA NA +PJ125703 APCCKHRW C43H65N15O9S2 999.4532 NA PeJP NA NA +PJ125704 NNHHHRW C43H57N19O10 999.4536 NA PeJP NA NA +PJ125705 SSSSSSSLKM C38H69N11O18S 999.4543 NA PeJP NA NA +PJ125706 ASPPTTTYY C46H65N9O16 999.4549 NA PeJP NA NA +PJ125707 STTTLEYW C46H65N9O16 999.455 NA PeJP NA NA +PJ125708 GSSTKKMMM C39H73N11O13S3 999.4552 NA PeJP NA NA +PJ125709 SSSNMRRY C39H65N15O14S 999.4556 NA PeJP NA NA +PJ125710 GGSSSMRRY C39H65N15O14S 999.4557 NA PeJP NA NA +PJ125711 LKEMMYW C47H69N9O11S2 999.4558 NA PeJP NA NA +PJ125712 GSPPDRWW C47H61N13O12 999.4563 NA PeJP NA NA +PJ125713 VMFFFFY C55H65N7O9S 999.4565 NA PeJP NA NA +PJ125714 STLKEEMY C43H69N9O16S 999.4583 NA PeJP NA NA +PJ125715 GPPVLEEEM C43H69N9O16S 999.4584 NA PeJP NA NA +PJ125716 SPLKMMMY C44H73N9O11S3 999.4592 NA PeJP NA NA +PJ125717 GSTCKRYW C44H65N13O12S 999.4597 NA PeJP NA NA +PJ125718 PPTQWWW C52H61N11O10 999.4603 NA PeJP NA NA +PJ125719 GCHRRWW C45H61N17O8S 999.461 NA PeJP NA NA +PJ125720 TTTTTTLMM C40H73N9O16S2 999.4617 NA PeJP NA NA +PJ125721 GSSSSKERY C40H65N13O17 999.4622 NA PeJP NA NA +PJ125722 GSQKMMRY C41H69N13O12S2 999.463 NA PeJP NA NA +PJ125723 GGGTKMMRY C41H69N13O12S2 999.4631 NA PeJP NA NA +PJ125724 GSSDHRRW C41H61N17O13 999.4635 NA PeJP NA NA +PJ125725 GGGGGGGAAHFR C41H61N17O13 999.4636 NA PeJP NA NA +PJ125726 SCKKYWW C49H65N11O10S 999.4637 NA PeJP NA NA +PJ125727 LFYWWW C57H61N9O8 999.4643 NA PeJP NA NA +PJ125728 SSSDKKYW C45H65N11O15 999.4662 NA PeJP NA NA +PJ125729 GSQEMHRR C38H65N17O13S 999.4669 NA PeJP NA NA +PJ125730 TLMMRYW C46H69N11O10S2 999.4671 NA PeJP NA NA +PJ125731 STQHRWW C46H61N15O11 999.4675 NA PeJP NA NA +PJ125732 GGGGPQRWW C46H61N15O11 999.4676 NA PeJP NA NA +PJ125733 ALMFFWW C54H65N9O8S 999.4677 NA PeJP NA NA +PJ125734 STTLEMRY C42H69N11O15S 999.4696 NA PeJP NA NA +MJ099269 Cyclosquamosin E C50H65N9O13 999.470183 NA MeJP NA NA +PJ125735 VLQEYYW C50H65N9O13 999.4702 NA PeJP NA NA +PJ125736 GVLMMMRY C43H73N11O10S3 999.4704 NA PeJP NA NA +PJ125737 GGAKKMMMF C43H73N11O10S3 999.4705 NA PeJP NA NA +PJ125738 GPPCERRW C43H65N15O11S 999.4709 NA PeJP NA NA +PJ125739 GTKHWWW C51H61N13O9 999.4716 NA PeJP NA NA +PJ125740 SSSSTTTTTK C38H69N11O20 999.4721 NA PeJP NA NA +PJ125741 SSSTTKKMM C39H73N11O15S2 999.4729 NA PeJP NA NA +PJ125742 GSSSSTRRY C39H65N15O16 999.4734 NA PeJP NA NA +PJ125743 GGGGGGGGGAAPTK C39H65N15O16 999.4735 NA PeJP NA NA +PJ125744 SSTLLMYW C47H69N9O13S 999.4736 NA PeJP NA NA +PJ125745 TCKKKMMM C40H77N11O10S4 999.4738 NA PeJP NA NA +PJ125746 VVFFYYY C55H65N7O11 999.4742 NA PeJP NA NA +PJ125747 GSCKMRRY C40H69N15O11S2 999.4743 NA PeJP NA NA +PJ125748 EEHHHRR C40H61N19O12 999.4748 NA PeJP NA NA +PJ125749 PPQMRWW C48H65N13O9S 999.4749 NA PeJP NA NA +PJ125750 SSSTTLLEY C43H69N9O18 999.4761 NA PeJP NA NA +PJ125751 SVLKEMMY C44H73N9O13S2 999.477 NA PeJP NA NA +PJ125752 SSSSKRYW C44H65N13O14 999.4774 NA PeJP NA NA +PJ125753 GGGPLEERW C44H65N13O14 999.4775 NA PeJP NA NA +PJ125754 GSCEHRRR C37H65N19O12S 999.4781 NA PeJP NA NA +PJ125755 APCKKMHW C45H69N13O9S2 999.4783 NA PeJP NA NA +PJ125756 VEHHHRW C45H61N17O10 999.4788 NA PeJP NA NA +PJ125757 SSTQKMRY C41H69N13O14S 999.4808 NA PeJP NA NA +PJ125758 ALERYYW C49H65N11O12 999.4814 NA PeJP NA NA +PJ125759 GPPTKEWW C49H65N11O12 999.4815 NA PeJP NA NA +PJ125760 LMMMRRY C42H73N13O9S3 999.4817 NA PeJP NA NA +PJ125761 SQMHRRW C42H65N17O10S 999.4821 NA PeJP NA NA +PJ125762 GGTMHRRW C42H65N17O10S 999.4822 NA PeJP NA NA +PJ125763 VVHHHWW C50H61N15O8 999.4828 NA PeJP NA NA +PJ125764 SSTQEHRR C38H65N17O15 999.4846 NA PeJP NA NA +PJ125765 GPDDERRR C38H65N17O15 999.4847 NA PeJP NA NA +PJ125766 GSTKKMYW C46H69N11O12S 999.4848 NA PeJP NA NA +PJ125767 GGGGAPPPLMF C46H69N11O12S 999.4849 NA PeJP NA NA +PJ125768 GLLYYWW C54H65N9O10 999.4855 NA PeJP NA NA +PJ125769 GSNHHHRR C39H61N21O11 999.486 NA PeJP NA NA +PJ125770 PPCRRWW C47H65N15O8S 999.4862 NA PeJP NA NA +PJ125771 GSSTTKKEY C42H69N11O17 999.4873 NA PeJP NA NA +PJ125772 GGAAPLKEEE C42H69N11O17 999.4874 NA PeJP NA NA +PJ125773 SSLLMMRY C43H73N11O12S2 999.4882 NA PeJP NA NA +PJ125774 PQEERRW C43H65N15O13 999.4887 NA PeJP NA NA +PJ125775 PLKMYYW C51H69N9O10S 999.4888 NA PeJP NA NA +PJ125776 GALLMFYW C51H69N9O10S 999.4889 NA PeJP NA NA +PJ125777 VFFFFFF C59H65N7O8 999.4895 NA PeJP NA NA +PJ125778 APKHHHHH C44H61N19O9 999.49 NA PeJP NA NA +PJ125779 AVVKEEYY C47H69N9O15 999.4913 NA PeJP NA NA +PJ125780 PVVLEEEW C47H69N9O15 999.4914 NA PeJP NA NA +PJ125781 SSTCKRRY C40H69N15O13S 999.492 NA PeJP NA NA +PJ125782 GGPPTEMRR C40H69N15O13S 999.4921 NA PeJP NA NA +PJ125783 APLKMMFY C48H73N9O10S2 999.4922 NA PeJP NA NA +PJ125784 PVQERWW C48H65N13O11 999.4927 NA PeJP NA NA +PJ125785 SCHRRRW C41H65N19O9S 999.4934 NA PeJP NA NA +PJ125786 SSSSLLLMY C44H73N9O15S 999.4947 NA PeJP NA NA +PJ125787 ALLKMMMY C45H77N9O10S3 999.4956 NA PeJP NA NA +PJ125788 SSSDHRRR C37H65N19O14 999.4959 NA PeJP NA NA +PJ125789 GPPKEMRW C45H69N13O11S 999.4961 NA PeJP NA NA +PJ125790 PPTKWWW C53H65N11O9 999.4967 NA PeJP NA NA +PJ125791 NMMHRRR C38H69N19O9S2 999.4968 NA PeJP NA NA +PJ125792 PTTTTTNKH C41H69N13O16 999.4985 NA PeJP NA NA +PJ125793 GSSTTTKRY C41H69N13O16 999.4986 NA PeJP NA NA +PJ125794 GSKKMMRY C42H73N13O11S2 999.4994 NA PeJP NA NA +PJ125795 GGAAPPLMMR C42H73N13O11S2 999.4995 NA PeJP NA NA +PJ125796 PDDRRRW C42H65N17O12 999.4999 NA PeJP NA NA +PJ125797 GPPVKMWW C50H69N11O9S 999.5001 NA PeJP NA NA +PJ125798 SSTTKKYW C46H69N11O14 999.5026 NA PeJP NA NA +PJ125799 SPPCERRR C39H69N17O12S 999.5033 NA PeJP NA NA +PJ125800 GLLLMMHW C47H73N11O9S2 999.5035 NA PeJP NA NA +PJ125801 APERRWW C47H65N15O10 999.5039 NA PeJP NA NA +PJ125802 SSKKKEMY C43H73N11O14S 999.5059 NA PeJP NA NA +PJ125803 STDKKKMY C43H73N11O14S 999.506 NA PeJP NA NA +PJ125804 VLKEYYW C51H69N9O12 999.5066 NA PeJP NA NA +PJ125805 GKKKMMMF C44H77N11O9S3 999.5068 NA PeJP NA NA +PJ125806 GNNNNRRR C36H65N21O13 999.5071 NA PeJP NA NA +PJ125807 GGGGGGGGGRRR C36H65N21O13 999.5072 NA PeJP NA NA +PJ125808 GPPTMRRW C44H69N15O10S 999.5073 NA PeJP NA NA +PJ125809 GPLRWWW C52H65N13O8 999.508 NA PeJP NA NA +PJ125810 GPKEEERR C40H69N15O15 999.5098 NA PeJP NA NA +PJ125811 SPVLKMYY C48H73N9O12S 999.51 NA PeJP NA NA +PJ125812 PPVNMMRR C41H73N15O10S2 999.5107 NA PeJP NA NA +PJ125813 NDHFRRR C41H65N19O11 999.5111 NA PeJP NA NA +PJ125814 GGDHFRRR C41H65N19O11 999.5112 NA PeJP NA NA +PJ125815 PPKMRWW C49H69N13O8S 999.5113 NA PeJP NA NA +PJ125816 STTTTTLLY C44H73N9O17 999.5125 NA PeJP NA NA +PJ125817 TTLLKMMY C45H77N9O12S2 999.5133 NA PeJP NA NA +PJ125818 GPPLLLEMM C45H77N9O12S2 999.5134 NA PeJP NA NA +PJ125819 GPVKEERW C45H69N13O13 999.5138 NA PeJP NA NA +PJ125820 GGGGGGGGLLLW C45H69N13O13 999.5139 NA PeJP NA NA +PJ125821 GSTMHRRR C38H69N19O11S 999.5145 NA PeJP NA NA +PJ125822 LMMFFRR C46H73N13O8S2 999.5147 NA PeJP NA NA +PJ125823 AQHFRRW C46H65N17O9 999.5152 NA PeJP NA NA +PJ125824 SSTKKMRY C42H73N13O13S 999.5172 NA PeJP NA NA +PJ125825 AAPLKEWW C50H69N11O11 999.5178 NA PeJP NA NA +PJ125826 GPVVKEWW C50H69N11O11 999.5179 NA PeJP NA NA +PJ125827 SKMHRRW C43H69N17O9S 999.5185 NA PeJP NA NA +PJ125828 GPTEERRR C39H69N17O14 999.521 NA PeJP NA NA +PJ125829 GGGGSPKERR C39H69N17O14 999.5211 NA PeJP NA NA +PJ125830 STLLLMHW C47H73N11O11S 999.5212 NA PeJP NA NA +PJ125831 PLKFFYW C55H69N9O9 999.5219 NA PeJP NA NA +PJ125832 SSSSTLKKY C43H73N11O16 999.5237 NA PeJP NA NA +PJ125833 ATKKKMMY C44H77N11O11S2 999.5246 NA PeJP NA NA +PJ125834 ATTTKHRW C44H69N15O12 999.525 NA PeJP NA NA +PJ125835 PKEERRW C44H69N15O12 999.5251 NA PeJP NA NA +PJ125836 LLKMFYW C52H73N9O9S 999.5252 NA PeJP NA NA +PJ125837 PTLLLEEW C48H73N9O14 999.5277 NA PeJP NA NA +PJ125838 APPVVLEEF C48H73N9O14 999.5278 NA PeJP NA NA +2608 synthetic peptide inhibitors of (PEP) IYPFPGPIP 999.528 NA Inhouse_peptide NA peptide +PJ125839 SPPKEMRR C41H73N15O12S 999.5284 NA PeJP NA NA +PJ125840 GGGGGAPLKMR C41H73N15O12S 999.5285 NA PeJP NA NA +PJ125841 PPLLLMMW C49H77N9O9S2 999.5286 NA PeJP NA NA +PJ125842 PVKERWW C49H69N13O10 999.5291 NA PeJP NA NA +PJ125843 GPVLLLEEM C45H77N9O14S 999.5311 NA PeJP NA NA +PJ125844 SSTTHRRR C38H69N19O13 999.5323 NA PeJP NA NA +PJ125845 APVLQMRW C46H73N13O10S 999.5324 NA PeJP NA NA +PJ125846 SPPVKMRW C46H73N13O10S 999.5325 NA PeJP NA NA +PJ125847 PVVKWWW C54H69N11O8 999.5331 NA PeJP NA NA +PJ125848 SSSPPLKER C42H73N13O15 999.5349 NA PeJP NA NA +PJ125849 PVDKKEER C42H73N13O15 999.535 NA PeJP NA NA +PJ125850 SLLLMMHR C43H77N13O10S2 999.5358 NA PeJP NA NA +PJ125851 PTERRRW C43H69N17O11 999.5363 NA PeJP NA NA +PJ125852 APLKKEEW C47H73N11O13 999.539 NA PeJP NA NA +PJ125853 GPVEMRRR C40H73N17O11S 999.5397 NA PeJP NA NA +MJ099270 Spirosol-5-en-3-ol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] C50H81NO19 999.540279 NA MeJP NA NA +MJ099271 Spirosol-5-en-3-ol, 3-O-[?-L-Arabinopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] C50H81NO19 999.540279 NA MeJP NA NA +MJ099272 Spirosol-5-en-3-ol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] C50H81NO19 999.540279 NA MeJP NA NA +PJ125854 SPLRRWW C48H69N15O9 999.5403 NA PeJP NA NA +PJ125855 TTTKKKMY C44H77N11O13S 999.5423 NA PeJP NA NA +PJ125856 PLLLEEMR C44H77N11O13S 999.5424 NA PeJP NA NA +PJ125857 PPVLLEFW C52H73N9O11 999.543 NA PeJP NA NA +PJ125858 NNERRRR C37H69N21O12 999.5435 NA PeJP NA NA +PJ125859 AAPLMRRW C45H73N15O9S 999.5437 NA PeJP NA NA +PJ125860 SPVKEERR C41H73N15O14 999.5462 NA PeJP NA NA +PJ125861 PVLLLEMW C49H77N9O11S 999.5464 NA PeJP NA NA +PJ125862 PPCLKMRR C42H77N15O9S2 999.5471 NA PeJP NA NA +PJ125863 AQQRRRW C42H69N19O10 999.5475 NA PeJP NA NA +PJ125864 AALLLLEEE C45H77N9O16 999.5489 NA PeJP NA NA +PJ125865 SPPVLLLMM C46H81N9O11S2 999.5497 NA PeJP NA NA +PJ125866 APTLKERW C46H73N13O12 999.5502 NA PeJP NA NA +PJ125867 PEMRRRR C39H73N19O10S 999.5509 NA PeJP NA NA +PJ125868 AKHFRRW C47H69N17O8 999.5515 NA PeJP NA NA +PJ125869 PVLQKEMR C43H77N13O12S 999.5536 NA PeJP NA NA +PJ125870 GPTLLKWW C51H73N11O10 999.5542 NA PeJP NA NA +PJ125871 PVMRRRW C44H73N17O8S 999.5549 NA PeJP NA NA +PJ125872 AALEERRR C40H73N17O13 999.5574 NA PeJP NA NA +PJ125873 GGGGGGGGLKKR C40H73N17O13 999.5575 NA PeJP NA NA +PJ125874 PPTLKKMW C48H77N11O10S 999.5576 NA PeJP NA NA +PJ125875 LLKFFFW C56H73N9O8 999.5583 NA PeJP NA NA +PJ125876 GNRRRRW C41H69N21O9 999.5588 NA PeJP NA NA +PJ125877 VLLLEEER C44H77N11O15 999.5601 NA PeJP NA NA +PJ125878 GPPVLKKMM C45H81N11O10S2 999.561 NA PeJP NA NA +PJ125879 LLQERRW C45H73N15O11 999.5614 NA PeJP NA NA +PJ125880 GALLERRW C45H73N15O11 999.5615 NA PeJP NA NA +PJ125881 VVLLLEEW C49H77N9O13 999.5641 NA PeJP NA NA +PJ125882 APLKEMRR C42H77N15O11S 999.5648 NA PeJP NA NA +PJ125883 VLLQRWW C50H73N13O9 999.5655 NA PeJP NA NA +PJ125884 APTLLLLEM C46H81N9O13S 999.5675 NA PeJP NA NA +PJ125885 VEERRRR C39H73N19O12 999.5687 NA PeJP NA NA +PJ125886 GPLLKMRW C47H77N13O9S 999.5688 NA PeJP NA NA +PJ125887 PTLKKEER C43H77N13O14 999.5713 NA PeJP NA NA +PJ125888 GGVLLKEER C43H77N13O14 999.5714 NA PeJP NA NA +PJ125889 PPLKKMMR C44H81N13O9S2 999.5722 NA PeJP NA NA +PJ125890 VVERRRW C44H73N17O10 999.5727 NA PeJP NA NA +PJ125891 SPLLKKEW C48H77N11O12 999.5754 NA PeJP NA NA +PJ125892 APTLMRRR C41H77N17O10S 999.5761 NA PeJP NA NA +MJ099273 3,24-Dihydroxy-24,25-dimethyllanost-8-en-30-oic acid, 3-O-[2-Acetylamino-2-deoxy-?-D-glucopyranosyl-(1?2)-?-D-galactopyranoside]-30-O-?-L-xylopyranosyl ester C51H85NO18 999.576664 NA MeJP NA NA +PJ125893 ALLRRWW C49H73N15O8 999.5767 NA PeJP NA NA +PJ125894 AAPLLKKEM C45H81N11O12S 999.5787 NA PeJP NA NA +PJ125895 GGGGGLLLLLM C45H81N11O12S 999.5788 NA PeJP NA NA +PJ125896 PPVLLLYW C53H77N9O10 999.5794 NA PeJP NA NA +PJ125897 NDKRRRR C38H73N21O11 999.5799 NA PeJP NA NA +PJ125898 GLLKEERR C42H77N15O13 999.5826 NA PeJP NA NA +PJ125899 GPPLLLLMF C50H81N9O10S 999.5828 NA PeJP NA NA +PJ125900 AQKRRRW C43H73N19O9 999.5839 NA PeJP NA NA +2906 neuropeptide from eyestalk of Macrobrachium rosenb APALRLRFG 999.585 antibacterial Inhouse_peptide NA peptide +PJ125901 PTTTLLLLE C46H81N9O15 999.5852 NA PeJP NA NA +PJ125902 GTLLLLLEE C46H81N9O15 999.5853 NA PeJP NA NA +PJ125903 GPLLLLLMM C47H85N9O10S2 999.5861 NA PeJP NA NA +PJ125904 GVLLKERW C47H77N13O11 999.5866 NA PeJP NA NA +PJ125905 GPCKKRRR C40H77N19O9S 999.5873 NA PeJP NA NA +PJ125906 PVLKKEMR C44H81N13O11S 999.59 NA PeJP NA NA +PJ125907 AALLLKWW C52H77N11O9 999.5906 NA PeJP NA NA +PJ125908 SNRRRRR C37H73N23O10 999.5911 NA PeJP NA NA +PJ125909 GTLLERRR C41H77N17O12 999.5938 NA PeJP NA NA +PJ125910 PVVLKKMW C49H81N11O9S 999.594 NA PeJP NA NA +PJ125911 LLLQKKEE C45H81N11O14 999.5965 NA PeJP NA NA +PJ125912 LLKERRW C46H77N15O10 999.5978 NA PeJP NA NA +PJ125913 TLLLLLEW C50H81N9O12 999.6005 NA PeJP NA NA +PJ125914 SPLLKMRR C43H81N15O10S 999.6012 NA PeJP NA NA +PJ125915 PKKKKWW C51H77N13O8 999.6018 NA PeJP NA NA +PJ125916 VLLKRWW C51H77N13O8 999.6019 NA PeJP NA NA +PJ125917 GVLLLLLEM C47H85N9O12S 999.6039 NA PeJP NA NA +PJ125918 QKKERRR C40H77N19O11 999.605 NA PeJP NA NA +PJ125919 GAKKERRR C40H77N19O11 999.6051 NA PeJP NA NA +PJ125920 VVLKKEER C44H81N13O13 999.6077 NA PeJP NA NA +PJ125921 TLLRRRW C45H77N17O9 999.6091 NA PeJP NA NA +PJ125922 VVVLKKEW C49H81N11O11 999.6117 NA PeJP NA NA +PJ125923 ALLLKKEW C49H81N11O11 999.6118 NA PeJP NA NA +PJ125924 GVLLMRRR C42H81N17O9S 999.6124 NA PeJP NA NA +PJ125925 LLLLLEMR C46H85N11O11S 999.6151 NA PeJP NA NA +PJ125926 PVLLLLFW C54H81N9O9 999.6158 NA PeJP NA NA +PJ125927 TQKRRRR C39H77N21O10 999.6163 NA PeJP NA NA +PJ125928 SVLLKERR C43H81N15O12 999.619 NA PeJP NA NA +PJ125929 VLLLLLMW C51H85N9O9S 999.6191 NA PeJP NA NA +PJ125930 AKKRRRW C44H77N19O8 999.6203 NA PeJP NA NA +PJ125931 SSLLLLLLE C47H85N9O14 999.6216 NA PeJP NA NA +PJ125932 ATLLLKRW C48H81N13O10 999.623 NA PeJP NA NA +PJ125933 LLMRRRR C41H81N19O8S 999.6237 NA PeJP NA NA +PJ125934 VLLLQKMR C45H85N13O10S 999.6264 NA PeJP NA NA +PJ125935 SSLLLRRR C42H81N17O11 999.6302 NA PeJP NA NA +PJ125936 LLLKKKEE C46H85N11O13 999.6329 NA PeJP NA NA +PJ125937 AALKKKRW C47H81N15O9 999.6342 NA PeJP NA NA +PJ125938 GPVLLLLLY C51H85N9O11 999.6369 NA PeJP NA NA +PJ125939 ALLLKMRR C44H85N15O9S 999.6376 NA PeJP NA NA +PJ125940 ATLLLLLLM C48H89N9O11S 999.6403 NA PeJP NA NA +PJ125941 KKKERRR C41H81N19O10 999.6414 NA PeJP NA NA +PJ125942 TLLLKKER C45H85N13O12 999.6441 NA PeJP NA NA +PJ125943 VKKKRRW C46H81N17O8 999.6455 NA PeJP NA NA +PJ125944 SLLLLKKW C50H85N11O10 999.6481 NA PeJP NA NA +PJ125945 AALLLLKKM C47H89N11O10S 999.6515 NA PeJP NA NA +PJ125946 TKKRRRR C40H81N21O9 999.6527 NA PeJP NA NA +PJ125947 TTLLLKRR C44H85N15O11 999.6553 NA PeJP NA NA +PJ125948 VVDKKKKR C44H85N15O11 999.6554 NA PeJP NA NA +PJ125949 TTTLLLLLL C48H89N9O13 999.658 NA PeJP NA NA +PJ125950 GLLKKKKW C49H85N13O9 999.6594 NA PeJP NA NA +PJ125951 VLLLKKMR C46H89N13O9S 999.6627 NA PeJP NA NA +PJ125952 ATLKKKRR C43H85N17O10 999.6666 NA PeJP NA NA +PJ125953 ATTLLLLKK C47H89N11O12 999.6693 NA PeJP NA NA +PJ125954 GVLLLLLLF C52H89N9O10 999.6733 NA PeJP NA NA +PJ125955 VLKKKKKE C46H89N13O11 999.6805 NA PeJP NA NA +PJ125956 LLLLLLFR C51H89N11O9 999.6845 NA PeJP NA NA +PJ125957 SLLKKKKR C45H89N15O10 999.6917 NA PeJP NA NA +PJ125958 GKKKKKKR C44H89N17O9 999.703 NA PeJP NA NA +HMDB04838 Galabiosylceramide (d18:1/26:1(17Z)) C56H105NO13 999.758606 NA HMDB2010 NA NA +HMDB04873 Lactosylceramide (d18:1/26:1(17Z)) C56H105NO13 999.758606 NA HMDB2010 NA NA +HMDB04838 Galabiosylceramide (d18:1/26:1(17Z)) C56H105NO13 999.75861 http://www.hmdb.ca/metabolites/HMDB04838 HMDB NA NA +HMDB04873 Lactosylceramide (d18:1/26:1(17Z)) C56H105NO13 999.75861 http://www.hmdb.ca/metabolites/HMDB04873 HMDB NA NA +HMDB04838 Galabiosylceramide (d18:1/26:1(17Z)) C56H105NO13 999.75861 HMDB04838 PFEM_hmdb_metabocards_official NA NA +HMDB04873 Lactosylceramide (d18:1/26:1(17Z)) C56H105NO13 999.75861 HMDB04873 PFEM_hmdb_metabocards_official NA NA +3906 NA RNCESLSHRFKGPCTRDSNC 999.98885 MH2+ Inhouse_peptide NA peptide +3125 fibronectin inhibitor RGDSPASSKP 1000.4799 celiac toxic Inhouse_peptide NA peptide +7486 ACE inhibitor (fr,60-68 of bovine beta-casein) YPFPGPIPN 1000.4869 antioxidative Inhouse_peptide NA peptide +2805 PEP inhibitor RPPPAQAPAP 1000.53 NA Inhouse_peptide NA peptide +2859 NA YGGFLRRKSARKLANHQ 1000.54845 MH2+ Inhouse_peptide NA peptide +2975 ACE inhibitor ALKAWSVAR 1000.569 celiac toxic Inhouse_peptide NA peptide +HMDB10551 TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] C67H100O6 1000.752014 NA HMDB2010 NA NA +HMDB10552 TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] C67H100O6 1000.752014 NA HMDB2010 NA NA +3799 NA GILSKLGKALKKAAKHAAKA~ 1001.135 MH2+ Inhouse_peptide NA peptide +C16338 3-Oxo-OPC4-CoA C35H54N7O19P3S 1001.2408 NA KEGG NA NA +7874 peptide from rice endosperm protein hydrolysate KHNRGDEF 1001.4538 antioxidative Inhouse_peptide NA peptide +HMDB06973 CDP-DG(16:0/20:4(5Z,8Z,11Z,14Z)) C48H81N3O15P2 1001.514282 NA HMDB2010 NA NA +HMDB06974 CDP-DG(16:0/20:4(8Z,11Z,14Z,17Z)) C48H81N3O15P2 1001.514282 NA HMDB2010 NA NA +HMDB04839 Galabiosylceramide (d18:1/26:0) C56H107NO13 1001.77423 http://www.hmdb.ca/metabolites/HMDB04839 HMDB NA NA +HMDB04874 Lactosylceramide (d18:1/26:0) C56H107NO13 1001.77423 http://www.hmdb.ca/metabolites/HMDB04874 HMDB NA NA +HMDB04839 Galabiosylceramide (d18:1/26:0) C56H107NO13 1001.77423 HMDB04839 PFEM_hmdb_metabocards_official NA NA +HMDB04874 Lactosylceramide (d18:1/26:0) C56H107NO13 1001.77423 HMDB04874 PFEM_hmdb_metabocards_official NA NA +HMDB04839 Galabiosylceramide (d18:1/26:0) C56H107NO13 1001.774231 NA HMDB2010 NA NA +HMDB04874 Lactosylceramide (d18:1/26:0) C56H107NO13 1001.774231 NA HMDB2010 NA NA +7351 celiac sprue gluten epitope found in omega-gliadin PQPQQPIPV 1002.534 antioxidative Inhouse_peptide NA peptide +HMDB10550 TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] C67H102O6 1002.767639 NA HMDB2010 NA NA +C16337 3-Hydroxy-OPC4-CoA C35H56N7O19P3S 1003.2565 NA KEGG NA NA +C05272 trans-Hexadec-2-enoyl-CoA C37H64N7O17P3S 1003.3292 NA KEGG NA NA +HMDB04149 Palmitelaidoyl-CoA C37H64N7O17P3S 1003.32922 http://www.hmdb.ca/metabolites/HMDB04149 HMDB NA NA +HMDB06532 Palmitoleyl coenzyme A C37H64N7O17P3S 1003.32922 http://www.hmdb.ca/metabolites/HMDB06532 HMDB NA NA +HMDB04149 Palmitelaidoyl-CoA C37H64N7O17P3S 1003.32922 HMDB04149 PFEM_hmdb_metabocards_official NA NA +HMDB06532 Palmitoleyl coenzyme A C37H64N7O17P3S 1003.32922 HMDB06532 PFEM_hmdb_metabocards_official NA NA +HMDB04149 Palmitelaidoyl-CoA C37H64N7O17P3S 1003.329224 NA HMDB2010 NA NA +HMDB06532 Palmitoleyl CoA C37H64N7O17P3S 1003.329224 NA HMDB2010 NA NA +7721 NA GIEALKYHNMDLGTARGY~ 1003.4916 MH2+ Inhouse_peptide NA peptide +HMDB06990 CDP-DG(18:1(11Z)/18:2(9Z,12Z)) C48H83N3O15P2 1003.529968 NA HMDB2010 NA NA +HMDB06998 CDP-DG(18:1(9Z)/18:2(9Z,12Z)) C48H83N3O15P2 1003.529968 NA HMDB2010 NA NA +C05845 N-Acetyl-D-galactosaminyldiphosphoundecaprenol C54H87NO12P2 1003.5704 NA KEGG NA NA +C05846 (Phosphoglyceryl)3-N-acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D- C54H87NO12P2 1003.5704 NA KEGG NA NA +C05847 all-trans-Polyprenyl diphosphate C5H12O7P2 1003.5704 NA KEGG NA NA +C05848 4-Hydroxy-3-polyprenylbenzoate C12H14O3 1003.5704 NA KEGG NA NA +7456 coeliac toxic peptide PLLPQQPFPSQQEQPQF 1003.993 MH2+ Inhouse_peptide NA peptide +3580 NA VQGEESNDK 1004.4268 ACE inhibitor Inhouse_peptide NA peptide +7400 celiac sprue gluten epitope found in secalin PQPQQPTPI 1004.513 antioxidative Inhouse_peptide NA peptide +2974 LVV-hemorphin-5 LVVYPWTQ 1004.519 celiac toxic Inhouse_peptide NA peptide +3765 heparin-binding peptide FKCRRWQWRMKKLGA 1005.0257 MH2+ Inhouse_peptide NA peptide +3032 calmodulin-binding peptide LKKISQRYQKFALPQY 1005.062 MH2+ Inhouse_peptide NA peptide +3962 NA LKKISQRYQKFALPQY 1005.062 MH2+ Inhouse_peptide NA peptide +8161 f(164-179) of bovine alpha s2-casein LKKISQRYQKFALPQY 1005.062 MH2+ Inhouse_peptide NA peptide +C14117 Naphthyl-2-methylene-succinyl-CoA C36H46N7O19P3S 1005.1782 NA KEGG NA NA +FL7AAGGL0051 Delphinidin 3-(6-p-coumaroylglucoside)-5-[6-(malonyl)-4-(rhamnosyl)glucoside)] C45H49O26 1005.2512 444587-00-2 knapsack NA NA +HMDB01338 Palmityl-CoA C37H66N7O17P3S 1005.344849 NA HMDB2010 NA NA +HMDB01338 Palmityl-CoA C37H66N7O17P3S 1005.34485 http://www.hmdb.ca/metabolites/HMDB01338 HMDB NA NA +HMDB01338 Palmityl-CoA C37H66N7O17P3S 1005.34485 HMDB01338 PFEM_hmdb_metabocards_official NA NA +MetaCyc04363 4,8,12-trimethyltridecanoyl-CoA [[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-2,2-dimethyl-3-[2-[2-(4,8,12- trimethyltridecanoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl] propoxy]-phosphinoyl]oxy-phosphinoyl]oxymethyl]tetrahydrofuran- 3-yl]oxyphosphonic acid;] C37H66N7O17P3S1 1005.344874 NA metacyc NA NA +MetaCyc04364 palmitoyl CoA [Palmitoyl-CoA (n-C16:0CoA);hexadecanoyl CoA;palmityl-CoA;palmitoyl coenzyme A;palmitoyl-CoA;] C37H66N7O17P3S1 1005.344874 1763-10-6 metacyc NA NA +C00154 Palmitoyl-CoA C37H66N7O17P3S 1005.3449 NA KEGG NA NA +C07296 4,8,12-Trimethyltridecanoyl-CoA C37H66N7O17P3S 1005.3449 NA KEGG NA NA +3335 human beta-casein fr,53-61 AQTQSLVYP 1005.499 celiac toxic Inhouse_peptide NA peptide +HMDB06981 CDP-DG(18:0/18:2(9Z,12Z)) C48H85N3O15P2 1005.545593 NA HMDB2010 NA NA +HMDB06988 CDP-DG(18:1(11Z)/18:1(11Z)) C48H85N3O15P2 1005.545593 NA HMDB2010 NA NA +HMDB06989 CDP-DG(18:1(11Z)/18:1(9Z)) C48H85N3O15P2 1005.545593 NA HMDB2010 NA NA +HMDB06997 CDP-DG(18:1(9Z)/18:1(11Z)) C48H85N3O15P2 1005.545593 NA HMDB2010 NA NA +2790 precursor of thyrotropin hormone (1-8 ) KRQHPGKR 1005.579 antibacterial Inhouse_peptide NA peptide +MetaCyc04365 undecaprenyl phosphate-L-Ara4-Formyl-N [] C61H100N1O8P1 1005.718656 NA metacyc NA NA +C16156 Undecaprenyl phosphate alpha-L-Ara4FN C61H100NO8P 1005.7187 NA KEGG NA NA +HMDB02865 Oxytocin C43H66N12O12S2 1006.43646 http://www.hmdb.ca/metabolites/HMDB02865 HMDB NA NA +HMDB02865 Oxytocin C43H66N12O12S2 1006.43646 HMDB02865 PFEM_hmdb_metabocards_official NA NA +HMDB02865 Oxytocin C43H66N12O12S2 1006.436462 NA HMDB2010 NA NA +C00746 Oxytocin C43H66N12O12S2 1006.4365 NA KEGG NA NA +C14116 Naphthyl-2-methyl-succinyl-CoA C36H48N7O19P3S 1007.1939 NA KEGG NA NA +MetaCyc04366 UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine [] C34H55N7O24P2 1007.277369 NA metacyc NA NA +C04700 UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine C34H55N7O24P2 1007.2774 NA KEGG NA NA +C05892 UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine C34H55N7O24P2 1007.2774 NA KEGG NA NA +HMDB06979 CDP-DG(18:0/18:1(11Z)) C48H87N3O15P2 1007.561218 NA HMDB2010 NA NA +HMDB06980 CDP-DG(18:0/18:1(9Z)) C48H87N3O15P2 1007.561218 NA HMDB2010 NA NA +HMDB06987 CDP-DG(18:1(11Z)/18:0) C48H87N3O15P2 1007.561218 NA HMDB2010 NA NA +HMDB06996 CDP-DG(18:1(9Z)/18:0) C48H87N3O15P2 1007.561218 NA HMDB2010 NA NA +2793 polyphemusin II from homocytes of horse shoe crab RRWCFRVCYKGFCYRKCR~ 1008.06945 MH2+ Inhouse_peptide NA peptide +2900 neuropeptide from eyestalk of Macrobrachium rosenb ADKNFLRF~ 1008.5378 antibacterial Inhouse_peptide NA peptide +C05370 Calyculin A C50H81N4O15P 1008.5436 NA KEGG NA NA +HMDB04888 Ganglioside GA2 (d18:1/12:0) C50H92N2O18 1008.63452 http://www.hmdb.ca/metabolites/HMDB04888 HMDB NA NA +HMDB04888 Ganglioside GA2 (d18:1/12:0) C50H92N2O18 1008.63452 HMDB04888 PFEM_hmdb_metabocards_official NA NA +HMDB04888 Ganglioside GA2 (d18:1/12:0) C50H92N2O18 1008.634521 NA HMDB2010 NA NA +C04403 beta-D-Glucosyl-1-phosphoundecaprenol C61H101O9P 1008.7183 NA KEGG NA NA +C15542 D-Mannosyl-1-phosphoundecaprenol C61H101O9P 1008.7183 NA KEGG NA NA +C15543 6-(alpha-D-Mannosyl)-beta-D-mannosyl-R C12H21O11R 1008.7183 NA KEGG NA NA +C15544 4-(N-Acetyl-beta-D-glucosaminyl)-beta-D-mannosyl-R C14H24NO11R 1008.7183 NA KEGG NA NA +MetaCyc04367 D-mannosyl-1-phosphoundecaprenol [] C61H101O9P1 1008.718321 NA metacyc NA NA +C12006 Liposidomycin B C42H67N5O21S 1009.4049 NA KEGG NA NA +2918 neuropeptide from eyestalk of Macrobrachium rosenb KNEFIRFG 1009.5209 antibacterial Inhouse_peptide NA peptide +2940 NA FGGFTGRIRPKLKWDNQ 1009.53135 MH2+ Inhouse_peptide NA peptide +HMDB06978 CDP-DG(18:0/18:0) C48H89N3O15P2 1009.576904 NA HMDB2010 NA NA +8099 peptide derived from extruded corn gluten FPLEMMPF 1010.4468 binding Inhouse_peptide NA peptide +2825 PEP inhibitor LPPPPLPPLA 1010.601 NA Inhouse_peptide NA peptide +C13918 N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine C66H125NO5 1011.9558 NA KEGG NA NA +C13919 Transferred to D02163 C66H125NO5 1011.9558 NA KEGG NA NA +C13920 Ml4Cer C45H79N2O23R 1011.9558 NA KEGG NA NA +C13921 II2Xylbeta-Ml4Cer C50H87N2O27R 1011.9558 NA KEGG NA NA +C13922 Ar4Cer C47H82N3O23R 1011.9558 NA KEGG NA NA +C13923 Ar5Cer C55H95N4O28R 1011.9558 NA KEGG NA NA +C13924 Gal-alpha1->3Gal-beta1->4Glc-beta1->1'Cer C37H66NO18R 1011.9558 NA KEGG NA NA +C13925 iGb4Cer C45H79N2O23R 1011.9558 NA KEGG NA NA +C13926 iGb5Cer C53H92N3O28R 1011.9558 NA KEGG NA NA +HMDB01541 Guanosine hexaphosphate adenosine C20H30N10O26P6 1011.97583 http://www.hmdb.ca/metabolites/HMDB01541 HMDB NA NA +HMDB01541 Guanosine hexaphosphate adenosine C20H30N10O26P6 1011.97583 HMDB01541 PFEM_hmdb_metabocards_official NA NA +HMDB01541 Guanosine hexaphosphate adenosine C20H30N10O26P6 1011.97583 NA HMDB2010 NA NA +HMDB09964 PIP(18:1(11Z)/18:3(6Z,9Z,12Z)) C48H86O18P2 1012.528931 NA HMDB2010 NA NA +HMDB09982 PIP(18:1(9Z)/18:3(6Z,9Z,12Z)) C48H86O18P2 1012.528931 NA HMDB2010 NA NA +HMDB09994 PIP(18:3(6Z,9Z,12Z)/18:1(11Z)) C48H86O18P2 1012.528931 NA HMDB2010 NA NA +HMDB09995 PIP(18:3(6Z,9Z,12Z)/18:1(9Z)) C48H86O18P2 1012.528931 NA HMDB2010 NA NA +2957 maiganin related peptide PGLA GMASKAGAIAGKIAKVALKALG 1012.5977 MH2+ Inhouse_peptide NA peptide +HMDB11121 trans-2-Enoyl-OPC6-CoA C37H58N7O18P3S 1013.277161 NA HMDB2010 NA NA +C16332 trans-2-Enoyl-OPC6-CoA C37H58N7O18P3S 1013.2772 NA KEGG NA NA +3578 NA IQSQPQAFP 1014.499 ACE inhibitor Inhouse_peptide NA peptide +2886 NA EIEQKQLQ 1014.52 celiac toxic Inhouse_peptide NA peptide +2851 NA YGGFLRRIRPKLKLANQ 1014.59495 MH2+ Inhouse_peptide NA peptide +5516 styelin B GXFGPAFHSVSNFAKKHKTA 1015.0144 MH2+ Inhouse_peptide NA peptide +C16331 OPC6-CoA C37H60N7O18P3S 1015.2928 NA KEGG NA NA +HMDB11114 OPC6-CoA C37H60N7O18P3S 1015.292847 NA HMDB2010 NA NA +8327 Antiinflammatory peptide KGHYAERVG 1015.505 Bile-acid glycine conjugates ;SYN:3a,7b-Dihydroxy-5b-cholanoylglycine; Glycoursodeoxycholate; Glycoursodeoxycholic acid; Glycylursodeoxycholate; Glycylursodeoxycholic acid; N-(3a,7b-Dihydroxy-5b-cholan-24-oyl)glycine; N-[(3a,5b,7b)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine; UrsodeoxycholylglycineH2Blood Inhouse_peptide NA peptide +7736 Led-NPF-I APSLRLRFG 1015.58 antioxidative Inhouse_peptide NA peptide +2969 maculatin 1,1,1 from Litoria genimaculata FVGLAKVAAHVVPAIAEHFG 1016.05355 MH2+ Inhouse_peptide NA peptide +MetaCyc04368 dermatan-L-iduronate [dermatan;dermatan sulfate;chondroitin sulfate B;β-heparin;] C28H44N2O32S3 1016.103929 24967-94-0 metacyc NA NA +2826 PEP inhibitor APTMPPPLPP 1016.5204 NA Inhouse_peptide NA peptide +7573 ACE inhibitor from chicken troponin C RMLGNTPTK 1016.5293 antioxidative Inhouse_peptide NA peptide +2936 myelopeptide FRPRIMTP 1016.5454 celiac toxic Inhouse_peptide NA peptide +MetaCyc04369 UDP-2,3-bis(3-hydroxymyristoyl)glucosamine [UDP-2,3-bis(3-hydroxytetradecanoyl)glucosamine;UDP-2,3-diacyl-glucosamine;] C43H77N3O20P2 1017.457565 NA metacyc NA NA +C04652 UDP-2,3-bis(3-hydroxytetradecanoyl)glucosamine C43H77N3O20P2 1017.4576 NA KEGG NA NA +C10803 Demissine C50H83NO20 1017.5508 NA KEGG NA NA +C07306 Octreotide C49H66N10O10S2 1018.4405 NA KEGG NA NA +HMDB10043 PIP2(16:0/20:4(5Z,8Z,11Z,14Z)) C45H81O19P3 1018.458496 NA HMDB2010 NA NA +HMDB10044 PIP2(16:0/20:4(8Z,11Z,14Z,17Z)) C45H81O19P3 1018.458496 NA HMDB2010 NA NA +HMDB10078 PIP2(18:1(11Z)/18:3(6Z,9Z,12Z)) C45H81O19P3 1018.458496 NA HMDB2010 NA NA +HMDB10079 PIP2(18:1(11Z)/18:3(9Z,12Z,15Z)) C45H81O19P3 1018.458496 NA HMDB2010 NA NA +HMDB10091 PIP2(18:1(9Z)/18:3(6Z,9Z,12Z)) C45H81O19P3 1018.458496 NA HMDB2010 NA NA +HMDB10092 PIP2(18:1(9Z)/18:3(9Z,12Z,15Z)) C45H81O19P3 1018.458496 NA HMDB2010 NA NA +HMDB10102 PIP2(18:2(9Z,12Z)/18:2(9Z,12Z)) C45H81O19P3 1018.458496 NA HMDB2010 NA NA +HMDB10109 PIP2(18:3(6Z,9Z,12Z)/18:1(11Z)) C45H81O19P3 1018.458496 NA HMDB2010 NA NA +HMDB10110 PIP2(18:3(6Z,9Z,12Z)/18:1(9Z)) C45H81O19P3 1018.458496 NA HMDB2010 NA NA +HMDB10112 PIP2(18:3(9Z,12Z,15Z)/18:1(11Z)) C45H81O19P3 1018.458496 NA HMDB2010 NA NA +HMDB10113 PIP2(18:3(9Z,12Z,15Z)/18:1(9Z)) C45H81O19P3 1018.458496 NA HMDB2010 NA NA +HMDB10132 PIP2(20:4(5Z,8Z,11Z,14Z)/16:0) C45H81O19P3 1018.458496 NA HMDB2010 NA NA +HMDB10136 PIP2(20:4(8Z,11Z,14Z,17Z)/16:0) C45H81O19P3 1018.458496 NA HMDB2010 NA NA +7066 coeliac toxic peptide QPFPQPQLPYPQPQLPY 1018.508 MH2+ Inhouse_peptide NA peptide +3344 ACE inhibitor IVGRPRHQG 1018.564 celiac toxic Inhouse_peptide NA peptide +36 Actin IVGRPRHQG 1018.568 celiac toxic Inhouse_peptide NA peptide +C05259 3-Oxopalmitoyl-CoA C37H64N7O18P3S 1019.3241 NA KEGG NA NA +MetaCyc04370 3-oxopalmitoyl-CoA [3-ketopalmitoyl-CoA;3-oxohexadecanoyl-CoA;] C37H64N7O18P3S1 1019.324139 NA metacyc NA NA +HMDB06402 3-Oxohexadecanoyl-CoA C37H64N7O18P3S 1019.324158 NA HMDB2010 NA NA +HMDB06402 3-Oxohexadecanoyl-CoA C37H64N7O18P3S 1019.32416 http://www.hmdb.ca/metabolites/HMDB06402 HMDB NA NA +HMDB06402 3-Oxohexadecanoyl-CoA C37H64N7O18P3S 1019.32416 HMDB06402 PFEM_hmdb_metabocards_official NA NA +HMDB06497 S-Heptadecanoyl CoA C38H68N7O17P3S 1019.36053 http://www.hmdb.ca/metabolites/HMDB06497 HMDB NA NA +HMDB06497 S-Heptadecanoyl CoA C38H68N7O17P3S 1019.36053 HMDB06497 PFEM_hmdb_metabocards_official NA NA +HMDB06497 Heptadecanoyl CoA C38H68N7O17P3S 1019.360535 NA HMDB2010 NA NA +MetaCyc04371 curcumin 4',4''-O-β-D-digentiobioside [] C45H63O26 1019.360757 NA metacyc NA NA +7459 coeliac toxic peptide WFQPSQLNPQAQQDQPQ 1019.4659 MH2+ Inhouse_peptide NA peptide +HMDB10041 PIP2(16:0/20:3(5Z,8Z,11Z)) C45H83O19P3 1020.474121 NA HMDB2010 NA NA +HMDB10042 PIP2(16:0/20:3(8Z,11Z,14Z)) C45H83O19P3 1020.474121 NA HMDB2010 NA NA +HMDB10065 PIP2(18:0/18:3(6Z,9Z,12Z)) C45H83O19P3 1020.474121 NA HMDB2010 NA NA +HMDB10066 PIP2(18:0/18:3(9Z,12Z,15Z)) C45H83O19P3 1020.474121 NA HMDB2010 NA NA +HMDB10077 PIP2(18:1(11Z)/18:2(9Z,12Z)) C45H83O19P3 1020.474121 NA HMDB2010 NA NA +HMDB10090 PIP2(18:1(9Z)/18:2(9Z,12Z)) C45H83O19P3 1020.474121 NA HMDB2010 NA NA +HMDB10100 PIP2(18:2(9Z,12Z)/18:1(11Z)) C45H83O19P3 1020.474121 NA HMDB2010 NA NA +HMDB10101 PIP2(18:2(9Z,12Z)/18:1(9Z)) C45H83O19P3 1020.474121 NA HMDB2010 NA NA +HMDB10108 PIP2(18:3(6Z,9Z,12Z)/18:0) C45H83O19P3 1020.474121 NA HMDB2010 NA NA +HMDB10111 PIP2(18:3(9Z,12Z,15Z)/18:0) C45H83O19P3 1020.474121 NA HMDB2010 NA NA +HMDB10122 PIP2(20:3(5Z,8Z,11Z)/16:0) C45H83O19P3 1020.474121 NA HMDB2010 NA NA +HMDB10127 PIP2(20:3(8Z,11Z,14Z)/16:0) C45H83O19P3 1020.474121 NA HMDB2010 NA NA +C14119 Naphthyl-2-oxomethyl-succinyl-CoA C36H46N7O20P3S 1021.1731 NA KEGG NA NA +FL7AACGL0115 Cyanidin 3-(6-malonylglucoside)-7-(6-caffeoylglucoside)-3'-glucoside C45H49O27 1021.2461 215176-96-8 knapsack NA NA +FL7AAGGL0055 Ternatin C3 C45H49O27 1021.2461 215378-76-0 knapsack NA NA +HMDB03932 (S)-3-Hydroxyhexadecanoyl-CoA C37H66N7O18P3S 1021.33978 http://www.hmdb.ca/metabolites/HMDB03932 HMDB NA NA +HMDB03932 (S)-3-Hydroxyhexadecanoyl-CoA C37H66N7O18P3S 1021.33978 HMDB03932 PFEM_hmdb_metabocards_official NA NA +HMDB03932 (S)-3-Hydroxyhexadecanoyl-CoA C37H66N7O18P3S 1021.339783 NA HMDB2010 NA NA +C05258 (S)-3-Hydroxyhexadecanoyl-CoA C37H66N7O18P3S 1021.3398 NA KEGG NA NA +C08032 Quinupristin C53H67N9O10S 1021.4732 NA KEGG NA NA +C18059 CDP-2,3-bis-O-(geranylgeranyl)-sn-glycerol C52H85N3O13P2 1021.5558 NA KEGG NA NA +2794 polyphemusin I from homocytes of horse shoe crab RRWCFRVCYRGFCYRKCR~ 1022.073 MH2+ Inhouse_peptide NA peptide +HMDB10040 PIP2(16:0/20:2(11Z,14Z)) C45H85O19P3 1022.489807 NA HMDB2010 NA NA +HMDB10064 PIP2(18:0/18:2(9Z,12Z)) C45H85O19P3 1022.489807 NA HMDB2010 NA NA +HMDB10075 PIP2(18:1(11Z)/18:1(11Z)) C45H85O19P3 1022.489807 NA HMDB2010 NA NA +HMDB10076 PIP2(18:1(11Z)/18:1(9Z)) C45H85O19P3 1022.489807 NA HMDB2010 NA NA +HMDB10088 PIP2(18:1(9Z)/18:1(11Z)) C45H85O19P3 1022.489807 NA HMDB2010 NA NA +HMDB10089 PIP2(18:1(9Z)/18:1(9Z)) C45H85O19P3 1022.489807 NA HMDB2010 NA NA +HMDB10099 PIP2(18:2(9Z,12Z)/18:0) C45H85O19P3 1022.489807 NA HMDB2010 NA NA +HMDB10119 PIP2(20:2(11Z,14Z)/16:0) C45H85O19P3 1022.489807 NA HMDB2010 NA NA +2914 neuropeptide from eyestalk of Macrobrachium rosenb NRNFLRFG 1022.5288 antibacterial Inhouse_peptide NA peptide +C15750 Aeruginopeptin 917S-C C51H74N8O14 1022.5324 NA KEGG NA NA +2770 NA WQPPRARI 1022.564 celiac toxic Inhouse_peptide NA peptide +HMDB10562 TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C69H98O6 1022.736328 NA HMDB2010 NA NA +C14118 Naphthyl-2-hydroxymethyl-succinyl CoA C36H48N7O20P3S 1023.1888 NA KEGG NA NA +FL7AAAGL0069 Pelargonidin 3-rutinoside-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside) C46H55O26 1023.2981 215237-88-0 knapsack NA NA +2909 neuropeptide from eyestalk of Macrobrachium rosenb DRNFLRFG 1023.5128 antibacterial Inhouse_peptide NA peptide +3436 Lactoferrampin WKLLSKAQEKFGKNKSR 1023.57545 MH2+ Inhouse_peptide NA peptide +HMDB04879 Trihexosylceramide (d18:1/16:0) C52H97NO18 1023.67059 http://www.hmdb.ca/metabolites/HMDB04879 PFEM_hmdb_metabocards_urine NA urine +HMDB04879 Trihexosylceramide (d18:1/16:0) C52H97NO18 1023.67059 http://www.hmdb.ca/metabolites/HMDB04879 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04879 Trihexosylceramide (d18:1/16:0) C52H97NO18 1023.67059 http://www.hmdb.ca/metabolites/HMDB04879 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04879 Trihexosylceramide (d18:1/16:0) C52H97NO18 1023.67059 http://www.hmdb.ca/metabolites/HMDB04879 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04879 Trihexosylceramide (d18:1/16:0) C52H97NO18 1023.67059 http://www.hmdb.ca/metabolites/HMDB04879 HMDB NA NA +HMDB04879 Trihexosylceramide (d18:1/16:0) C52H97NO18 1023.67059 http://www.hmdb.ca/metabolites/HMDB04879 PFEM_hmdb_metabocards_blood NA blood +HMDB04879 Trihexosylceramide (d18:1/16:0) C52H97NO18 1023.67059 HMDB04879 PFEM_hmdb_metabocards_official NA NA +HMDB04879 Trihexosylceramide (d18:1/16:0) C52H97NO18 1023.670593 NA HMDB2010 NA NA +HMDB10039 PIP2(16:0/20:1(11Z)) C45H87O19P3 1024.505493 NA HMDB2010 NA NA +HMDB10062 PIP2(18:0/18:1(11Z)) C45H87O19P3 1024.505493 NA HMDB2010 NA NA +HMDB10063 PIP2(18:0/18:1(9Z)) C45H87O19P3 1024.505493 NA HMDB2010 NA NA +HMDB10074 PIP2(18:1(11Z)/18:0) C45H87O19P3 1024.505493 NA HMDB2010 NA NA +HMDB10087 PIP2(18:1(9Z)/18:0) C45H87O19P3 1024.505493 NA HMDB2010 NA NA +HMDB10115 PIP2(20:1(11Z)/16:0) C45H87O19P3 1024.505493 NA HMDB2010 NA NA +2769 NA YRVRVTPKEKTGPMKEM 1024.5334 MH2+ Inhouse_peptide NA peptide +HMDB10561 TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] C69H100O6 1024.751953 NA HMDB2010 NA NA +HMDB06519 Stearidonoyl CoA C39H62N7O17P3S 1025.313599 NA HMDB2010 NA NA +HMDB06519 stearidonyl coenzyme A C39H62N7O17P3S 1025.3136 http://www.hmdb.ca/metabolites/HMDB06519 HMDB NA NA +C16163 (6Z,9Z,12Z,15Z)-Octadecatetraenoyl-CoA C39H62N7O17P3S 1025.3136 NA KEGG NA NA +HMDB06519 stearidonyl coenzyme A C39H62N7O17P3S 1025.3136 HMDB06519 PFEM_hmdb_metabocards_official NA NA +3646 stimulating g-interferon production peptide CPQLQPQNPSQQQPQEQG 1025.44695 MH2+ Inhouse_peptide NA peptide +HMDB06976 CDP-DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C50H81N3O15P2 1025.514282 NA HMDB2010 NA NA +2614 synthetic peptide inhibitors of (PEP) VYPFPGPIH 1025.5179 NA Inhouse_peptide NA peptide +3437 f(1-8) of bovine lactoferrin APRKNVRW 1025.5749 ACE inhibitor Inhouse_peptide NA peptide +3455 PEP inhibitor LLSPWNINA 1026.5378 ACE inhibitor Inhouse_peptide NA peptide +3398 ACE inhibitor (as2-casein fragment; 190-197) MKPWIQPK 1026.5534 celiac toxic Inhouse_peptide NA peptide +7471 coeliac toxic peptide VIPVGGSSALGA 1026.557 antioxidative Inhouse_peptide NA peptide +HMDB10554 TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] C69H102O6 1026.7677 NA HMDB2010 NA NA +C03035 gamma-Linolenoyl-CoA C39H64N7O17P3S 1027.3292 NA KEGG NA NA +C16162 (9Z,12Z,15Z)-Octadecatrienoyl-CoA C39H64N7O17P3S 1027.3292 NA KEGG NA NA +HMDB06290 alpha-Linolenoyl-CoA C39H64N7O17P3S 1027.32922 http://www.hmdb.ca/metabolites/HMDB06290 HMDB NA NA +HMDB06368 gamma-linolenoyl-CoA C39H64N7O17P3S 1027.32922 http://www.hmdb.ca/metabolites/HMDB06368 HMDB NA NA +HMDB06290 alpha-Linolenoyl-CoA C39H64N7O17P3S 1027.32922 HMDB06290 PFEM_hmdb_metabocards_official NA NA +HMDB06368 gamma-linolenoyl-CoA C39H64N7O17P3S 1027.32922 HMDB06368 PFEM_hmdb_metabocards_official NA NA +HMDB06290 Alpha-Linolenoyl-CoA C39H64N7O17P3S 1027.329224 NA HMDB2010 NA NA +HMDB06368 Gamma-linolenoyl-CoA C39H64N7O17P3S 1027.329224 NA HMDB2010 NA NA +MetaCyc04372 linolenoyl-CoA [] C39H64N7O17P3S1 1027.329224 NA metacyc NA NA +MetaCyc04373 γ-linolenoyl-CoA [[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-2,2-dimethyl-3-[2-(2-octadeca-6,9,12- trienoylsulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]- phosphinoyl]oxy-phosphinoyl]oxymethyl]tetrahydrofuran-3-yl] oxyphosphonic acid;] C39H64N7O17P3S1 1027.329224 NA metacyc NA NA +2590 tenecin-1 (17-27) DAACAAHCLFRG 1027.507 NA Inhouse_peptide NA peptide +HMDB06991 CDP-DG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C50H83N3O15P2 1027.529907 NA HMDB2010 NA NA +HMDB06992 CDP-DG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C50H83N3O15P2 1027.529907 NA HMDB2010 NA NA +HMDB06999 CDP-DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C50H83N3O15P2 1027.529907 NA HMDB2010 NA NA +HMDB07000 CDP-DG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C50H83N3O15P2 1027.529907 NA HMDB2010 NA NA +C07550 Mivacurium C58H80N2O14 1028.561 NA KEGG NA NA +8315 Anticancer peptide NLHLPLPLL 1028.6249 NA ;SYN:(S)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoate; (S)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoic acid; (alphaS)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoate; (alphaS)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoic acid; 3-(3-Hydroxyanthraniloyl)-L-alanine; 3-Anthraniloylalanine; 3-Hydroxy-L-kynurenine; 3-anthraniloyl-Alanine; 3-anthraniloyl-L-alanine; DL-Kynureninefree base; Kynurenin; Quinurenine; alpha,2-diamino-gamma-oxo-Benzenebutanoate; alpha,2-diamino-gamma-oxo-Benzenebutanoic acid; dl-KynurenineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +C16334 3-Oxo-OPC6-CoA C37H58N7O19P3S 1029.2721 NA KEGG NA NA +HMDB01064 Linoleoyl-CoA C39H66N7O17P3S 1029.344849 NA HMDB2010 NA NA +HMDB01064 Linoleoyl-CoA C39H66N7O17P3S 1029.34485 http://www.hmdb.ca/metabolites/HMDB01064 HMDB NA NA +HMDB01064 Linoleoyl-CoA C39H66N7O17P3S 1029.34485 HMDB01064 PFEM_hmdb_metabocards_official NA NA +MetaCyc04374 linoleoyl-CoA [] C39H66N7O17P3S1 1029.344874 NA metacyc NA NA +C02050 Linoleoyl-CoA C39H66N7O17P3S 1029.3449 NA KEGG NA NA +C02051 Lipoylprotein C8H14NOS2R 1029.3449 NA KEGG NA NA +3423 ACE inhibitor QVSLNSGYY 1029.4639 ACE inhibitor Inhouse_peptide NA peptide +HMDB06982 CDP-DG(18:0/20:4(5Z,8Z,11Z,14Z)) C50H85N3O15P2 1029.545532 NA HMDB2010 NA NA +HMDB06983 CDP-DG(18:0/20:4(8Z,11Z,14Z,17Z)) C50H85N3O15P2 1029.545532 NA HMDB2010 NA NA +7564 ACE inhibitor LVYPFPGPIPNSLPQNIPP 1029.5479 MH2+ Inhouse_peptide NA peptide +C15182 Temsirolimus C56H87NO16 1029.6025 NA KEGG NA NA +3823 NA GILSKLGKALKKAAKHAAKAG 1030.13745 MH2+ Inhouse_peptide NA peptide +3425 ACE inhibitor NRVYVHPF 1030.5209 ACE inhibitor Inhouse_peptide NA peptide +2828 PEP inhibitor PPAYPPPPVP 1030.532 NA Inhouse_peptide NA peptide +C08960 Musennin C51H82O21 1030.5349 NA KEGG NA NA +C17469 Pseudoprotodioscin C51H82O21 1030.5349 NA KEGG NA NA +7745 ACE inhibitor RMLGQTPTK 1030.5444 antioxidative Inhouse_peptide NA peptide +18 Troponin C RMLGQTPTK 1030.549 celiac toxic Inhouse_peptide NA peptide +C16333 3-Hydroxy-OPC6-CoA C37H60N7O19P3S 1031.2878 NA KEGG NA NA +HMDB01322 Oleoyl-CoA C39H68N7O17P3S 1031.36047 http://www.hmdb.ca/metabolites/HMDB01322 HMDB NA NA +HMDB06521 vaccenyl coenzyme A C39H68N7O17P3S 1031.36047 http://www.hmdb.ca/metabolites/HMDB06521 HMDB NA NA +HMDB06529 trans-Octadec-2-enoyl-CoA C39H68N7O17P3S 1031.36047 http://www.hmdb.ca/metabolites/HMDB06529 HMDB NA NA +HMDB01322 Oleoyl-CoA C39H68N7O17P3S 1031.36047 HMDB01322 PFEM_hmdb_metabocards_official NA NA +HMDB06521 vaccenyl coenzyme A C39H68N7O17P3S 1031.36047 HMDB06521 PFEM_hmdb_metabocards_official NA NA +HMDB06529 trans-Octadec-2-enoyl-CoA C39H68N7O17P3S 1031.36047 HMDB06529 PFEM_hmdb_metabocards_official NA NA +HMDB01322 Oleoyl-CoA C39H68N7O17P3S 1031.360474 NA HMDB2010 NA NA +HMDB06521 cis-Vaccenoyl CoA C39H68N7O17P3S 1031.360474 NA HMDB2010 NA NA +HMDB06529 trans-Octadec-2-enoyl-CoA C39H68N7O17P3S 1031.360474 NA HMDB2010 NA NA +C00510 Oleoyl-CoA C39H68N7O17P3S 1031.3605 NA KEGG NA NA +C16218 (2E)-Octadecenoyl-CoA C39H68N7O17P3S 1031.3605 NA KEGG NA NA +C16219 3-Oxostearoyl-[acp] C18H33O2SR 1031.3605 NA KEGG NA NA +C16220 3-Hydroxyoctadecanoyl-[acp] C18H35O2SR 1031.3605 NA KEGG NA NA +C16221 (2E)-Octadecenoyl-[acp] C18H33OSR 1031.3605 NA KEGG NA NA +MetaCyc04375 oleoyl-CoA [] C39H68N7O17P3S1 1031.360524 NA metacyc NA NA +2626 synthetic fr,of human beta-CN (55-63) ACE inhibitor EPIPYGFLP 1031.518 NA Inhouse_peptide NA peptide +7319 celiac sprue gluten epitope from gamma-gliadin PLPQPQQPQ 1031.524 antioxidative Inhouse_peptide NA peptide +7399 celiac sprue gluten epitope found in secalin PQPQQPIPQ 1031.524 antioxidative Inhouse_peptide NA peptide +8147 peptide derived from rice bran proteins (Oryza sativa) VLEANPRSF 1031.5269 anti inflammatory Inhouse_peptide NA peptide +HMDB06975 CDP-DG(16:0/22:3(10Z,13Z,16Z)) C50H87N3O15P2 1031.561279 NA HMDB2010 NA NA +7366 celiac sprue gluten epitope found in hordein PQPQQPNPQ 1032.4829 antioxidative Inhouse_peptide NA peptide +7722 NA GIEALKYHNMDLGTARGYG 1032.4941 MH2+ Inhouse_peptide NA peptide +7365 celiac sprue gluten epitope found in hordein PQPQEPIPQ 1032.508 antioxidative Inhouse_peptide NA peptide +2849 NA YGGFLRRIRFARKLANQ 1032.5829 MH2+ Inhouse_peptide NA peptide +MetaCyc04376 stearoyl-CoA [Stearoyl-CoA (n-C18:0CoA);stearyl-CoA;stearyl coenzyme A;] C39H70N7O17P3S1 1033.376174 362-66-3 metacyc NA NA +C00412 Stearoyl-CoA C39H70N7O17P3S 1033.3762 NA KEGG NA NA +HMDB01114 Stearoyl-CoA C39H70N7O17P3S 1033.37622 http://www.hmdb.ca/metabolites/HMDB01114 HMDB NA NA +HMDB01114 Stearoyl-CoA C39H70N7O17P3S 1033.37622 HMDB01114 PFEM_hmdb_metabocards_official NA NA +HMDB01114 Stearoyl-CoA C39H70N7O17P3S 1033.376221 NA HMDB2010 NA NA +C10827 Tomatine C50H83NO21 1033.5458 NA KEGG NA NA +2835 oxitocin SYIQNSPLGG 1034.4899 antibacterial Inhouse_peptide NA peptide +C07549 Doxacurium C56H78N2O16 1034.5351 NA KEGG NA NA +FL7AACGL0118 Cyanidin 3-(6-malonylglucoside)-7-(6-feruloylglucoside)-3'-glucoside C46H51O27 1035.2617 215176-98-0 knapsack NA NA +3814 ileum contracting peptide YPMYPLPR 1035.5074 ACE inhibitor Inhouse_peptide NA peptide +7040 synthetic peptide from alpha-gliadin IAPFGIFGTN 1035.5249 antioxidative Inhouse_peptide NA peptide +C12043 Surfactin C53H93N7O13 1035.6831 NA KEGG NA NA +3756 NA QWGRRCCGWGPGRRYCVRWC 1036.03345 MH2+ Inhouse_peptide NA peptide +2854 NA YGGFLRRIRPKRKLANQ 1036.1034 MH2+ Inhouse_peptide NA peptide +3422 ACE inhibitor SAYPGQITSN 1036.4689 ACE inhibitor Inhouse_peptide NA peptide +3132 ester transferases inhibitor WRMWYVP 1036.4824 celiac toxic Inhouse_peptide NA peptide +2792 polyphemusin II from homocytes of horse shoe crab RRWCFRVCYKGFCYRKCRG 1037.072 MH2+ Inhouse_peptide NA peptide +7397 celiac sprue gluten epitope found in secalin PFPQPQQPT 1038.497 antioxidative Inhouse_peptide NA peptide +3570 NA GIQSEPKAIP 1038.556 ACE inhibitor Inhouse_peptide NA peptide +HMDB01394 Heparin C26H41NO34S4 1039.039307 NA HMDB2010 NA NA +HMDB01394 Heparin C26H41NO34S4 1039.03931 http://www.hmdb.ca/metabolites/HMDB01394 HMDB NA NA +HMDB01394 Heparin C26H41NO34S4 1039.03931 HMDB01394 PFEM_hmdb_metabocards_official NA NA +2610 synthetic peptide inhibitors of (PEP) IYPFPGPIH 1039.5341 NA Inhouse_peptide NA peptide +7388 celiac sprue gluten epitope found in hordein QQPQLPHGH 1040.499 antioxidative Inhouse_peptide NA peptide +HMDB11122 trans-2-Enoyl-OPC8-CoA C39H62N7O18P3S 1041.308472 NA HMDB2010 NA NA +C16328 trans-2-Enoyl-OPC8-CoA C39H62N7O18P3S 1041.3085 NA KEGG NA NA +3062 fragment of human beta-casein fr: 1-18 RETIESLSSSEESIPEYK 1041.4895 MH2+ Inhouse_peptide NA peptide +7855 NA YGGFMRRVG 1041.5044 ACE inhibitor Inhouse_peptide NA peptide +C04819 beta-D-Galactosyl-beta-1,4-N-acetyl-D-glucosaminylglycopeptide C42H74N8O22 1042.4918 NA KEGG NA NA +HMDB09954 PIP(18:0/20:3(5Z,8Z,11Z)) C50H92O18P2 1042.575928 NA HMDB2010 NA NA +HMDB09955 PIP(18:0/20:3(8Z,11Z,14Z)) C50H92O18P2 1042.575928 NA HMDB2010 NA NA +HMDB10006 PIP(20:3(5Z,8Z,11Z)/18:0) C50H92O18P2 1042.575928 NA HMDB2010 NA NA +HMDB10011 PIP(20:3(8Z,11Z,14Z)/18:0) C50H92O18P2 1042.575928 NA HMDB2010 NA NA +HMDB11115 OPC8-CoA C39H64N7O18P3S 1043.324097 NA HMDB2010 NA NA +C16327 OPC8-CoA C39H64N7O18P3S 1043.3241 NA KEGG NA NA +3663 NA DLYYLMDL 1044.4722 ACE inhibitor Inhouse_peptide NA peptide +HMDB10049 PIP2(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +HMDB10050 PIP2(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +HMDB10058 PIP2(16:2(9Z,12Z)/22:3(10Z,13Z,16Z)) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +HMDB10083 PIP2(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +HMDB10084 PIP2(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +HMDB10096 PIP2(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +HMDB10097 PIP2(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +HMDB10106 PIP2(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +HMDB10107 PIP2(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +HMDB10126 PIP2(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +HMDB10131 PIP2(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +HMDB10134 PIP2(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +HMDB10135 PIP2(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +HMDB10138 PIP2(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +HMDB10139 PIP2(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +HMDB10142 PIP2(22:3(10Z,13Z,16Z)/16:2(9Z,12Z)) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +HMDB10145 PIP2(22:5(4Z,7Z,10Z,13Z,16Z)/16:0) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +HMDB10146 PIP2(22:5(7Z,10Z,13Z,16Z,19Z)/16:0) C47H83O19P3 1044.474121 NA HMDB2010 NA NA +C15746 Aeruginopeptin 228A C52H68N8O15 1044.4804 NA KEGG NA NA +2673 synthetic fr, of human beta-CN (121-129) ACE inhibitor LENLHLPLP 1044.5829 NA Inhouse_peptide NA peptide +C08597 Helenien C72H116O4 1044.8874 NA KEGG NA NA +C08609 Physalien C72H116O4 1044.8874 NA KEGG NA NA +HMDB06498 3-Oxooctadecanoyl-CoA C39H66N7O18P3S 1045.33984 http://www.hmdb.ca/metabolites/HMDB06498 HMDB NA NA +HMDB06498 3-Oxooctadecanoyl-CoA C39H66N7O18P3S 1045.33984 HMDB06498 PFEM_hmdb_metabocards_official NA NA +HMDB06498 3-Oxooctadecanoyl-CoA C39H66N7O18P3S 1045.339844 NA HMDB2010 NA NA +3463 angiotensin II DRVYIHPF 1045.5209 ACE inhibitor Inhouse_peptide NA peptide +8125 secretory peptide hormone - angiotensin II DRVYIHPF 1045.5209 anticancer Inhouse_peptide NA peptide +C02135 Angiotensin II C50H71N13O12 1045.5345 NA KEGG NA NA +HMDB01035 Angiotensin II C50H71N13O12 1045.534546 NA HMDB2010 NA NA +HMDB01035 Angiotensin II C50H71N13O12 1045.53455 http://www.hmdb.ca/metabolites/HMDB01035 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01035 Angiotensin II C50H71N13O12 1045.53455 http://www.hmdb.ca/metabolites/HMDB01035 HMDB NA NA +HMDB01035 Angiotensin II C50H71N13O12 1045.53455 Bile-acid glycine conjugates ;SYN:Glycolithocholate 3-sulfate; Glycolithocholic acid 3-sulfate; Glycolithocholic acid sulfate; Sulfoglycolithocholate; Sulfoglycolithocholic acid;glycolithocholate sulfate;glycine amidated;LCA-Sul;GLCA-SulH2Blood; Urine Inhouse_peptide NA peptide +HMDB01035 Angiotensin II C50H71N13O12 1045.53455 http://www.hmdb.ca/metabolites/HMDB01035 PFEM_hmdb_metabocards_blood NA blood +HMDB01035 Angiotensin II C50H71N13O12 1045.53455 HMDB01035 PFEM_hmdb_metabocards_official NA NA +3113 adrenocorticotropin hormone fr,:1-17 SYSMEHFRWGKPVGKKR 1046.03015 MH2+ Inhouse_peptide NA peptide +HMDB10047 PIP2(16:0/22:4(10Z,13Z,16Z,19Z)) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +HMDB10048 PIP2(16:0/22:4(7Z,10Z,13Z,16Z)) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +HMDB10070 PIP2(18:0/20:4(5Z,8Z,11Z,14Z)) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +HMDB10071 PIP2(18:0/20:4(8Z,11Z,14Z,17Z)) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +HMDB10081 PIP2(18:1(11Z)/20:3(5Z,8Z,11Z)) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +HMDB10082 PIP2(18:1(11Z)/20:3(8Z,11Z,14Z)) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +HMDB10094 PIP2(18:1(9Z)/20:3(5Z,8Z,11Z)) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +HMDB10095 PIP2(18:1(9Z)/20:3(8Z,11Z,14Z)) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +HMDB10105 PIP2(18:2(9Z,12Z)/20:2(11Z,14Z)) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +HMDB10121 PIP2(20:2(11Z,14Z)/18:2(9Z,12Z)) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +HMDB10124 PIP2(20:3(5Z,8Z,11Z)/18:1(11Z)) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +HMDB10125 PIP2(20:3(5Z,8Z,11Z)/18:1(9Z)) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +HMDB10129 PIP2(20:3(8Z,11Z,14Z)/18:1(11Z)) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +HMDB10130 PIP2(20:3(8Z,11Z,14Z)/18:1(9Z)) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +HMDB10133 PIP2(20:4(5Z,8Z,11Z,14Z)/18:0) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +HMDB10137 PIP2(20:4(8Z,11Z,14Z,17Z)/18:0) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +HMDB10143 PIP2(22:4(10Z,13Z,16Z,19Z)/16:0) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +HMDB10144 PIP2(22:4(7Z,10Z,13Z,16Z)/16:0) C47H85O19P3 1046.489746 NA HMDB2010 NA NA +5388 phylloxin GWMSKIASGIGTFLSGIGQQG 1047.01965 MH2+ Inhouse_peptide NA peptide +C16216 3-Oxostearoyl-CoA C39H68N7O18P3S 1047.3554 NA KEGG NA NA +7401 celiac sprue gluten epitope found in secalin PQPQQQLPL 1047.556 antioxidative Inhouse_peptide NA peptide +2585 tenecin-1 (33-43) YCNGKRVCVCRG 1047.5798 NA Inhouse_peptide NA peptide +7687 ACE inhibitor from ovalbumin ERKIKVYL 1047.63 antioxidative Inhouse_peptide NA peptide +FL63AGGC0001 Glochiin C1 C48H40O27 1048.1756 172617-78-6 knapsack NA NA +FL5FAAGS0137 Kaempferol 3-rhamnosyl-(1->2)-[glucosyl-(1->3)-(4'''-p-coumaroylrhamnosyl)-(1->6)-galactoside];Capilliposide II C48H56O26 1048.3059 479199-52-5 knapsack NA NA +FL5FACGS0121 Quercetin 3-rhamnosyl-(1->6)-[rhamnosyl-(1->2)-(3''-(E)-p-coumaroylgalactoside)]-7-rhamnoside;3-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-3-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one C48H56O26 1048.3059 412929-24-9 knapsack NA NA +HMDB10148 PIP3(16:0/16:1(9Z)) C41H80O22P4 1048.40918 NA HMDB2010 NA NA +HMDB10046 PIP2(16:0/22:3(10Z,13Z,16Z)) C47H87O19P3 1048.505493 NA HMDB2010 NA NA +HMDB10068 PIP2(18:0/20:3(5Z,8Z,11Z)) C47H87O19P3 1048.505493 NA HMDB2010 NA NA +HMDB10069 PIP2(18:0/20:3(8Z,11Z,14Z)) C47H87O19P3 1048.505493 NA HMDB2010 NA NA +HMDB10104 PIP2(18:2(9Z,12Z)/20:1(11Z)) C47H87O19P3 1048.505493 NA HMDB2010 NA NA +HMDB10118 PIP2(20:1(11Z)/18:2(9Z,12Z)) C47H87O19P3 1048.505493 NA HMDB2010 NA NA +HMDB10123 PIP2(20:3(5Z,8Z,11Z)/18:0) C47H87O19P3 1048.505493 NA HMDB2010 NA NA +HMDB10128 PIP2(20:3(8Z,11Z,14Z)/18:0) C47H87O19P3 1048.505493 NA HMDB2010 NA NA +HMDB10141 PIP2(22:3(10Z,13Z,16Z)/16:0) C47H87O19P3 1048.505493 NA HMDB2010 NA NA +C08910 Ruscoside C50H80O23 1048.509 NA KEGG NA NA +C15747 Aeruginopeptin 228B C52H72N8O15 1048.5117 NA KEGG NA NA +C08927 Avenacin B-2 C54H80O20 1048.5243 NA KEGG NA NA +C08906 Parillin C51H84O22 1048.5454 NA KEGG NA NA +C08907 Protodioscin C51H84O22 1048.5454 NA KEGG NA NA +C08917 Trigonelloside C C51H84O22 1048.5454 NA KEGG NA NA +8333 f(21-29) of alpha S1 casein IKHQGLPQE 1048.551 Dipeptides ;SYN:1-(Aminoacetyl)proline; 1-Glycylproline; 1-glycyl-L-Proline; GLY-pro; N-Glycyl-l-proline; N-glycylprolineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +5435 human lactoferricin (LFh 20-38) CFQWQRNMRKVRGPPVSCI 1049.0602 MH2+ Inhouse_peptide NA peptide +HMDB06508 Retinoyl CoA C41H62N7O17P3S 1049.313599 NA HMDB2010 NA NA +HMDB06508 retinoyl CoA C41H62N7O17P3S 1049.3136 http://www.hmdb.ca/metabolites/HMDB06508 HMDB NA NA +HMDB06508 retinoyl CoA C41H62N7O17P3S 1049.3136 HMDB06508 PFEM_hmdb_metabocards_official NA NA +C16217 3-Hydroxyoctadecanoyl-CoA C39H70N7O18P3S 1049.3711 NA KEGG NA NA +7812 ACE inhibitor from blue mussel EVMAGNYLPG 1049.4713 ACE inhibitor Inhouse_peptide NA peptide +8176 peptide derived from ovine colostral whey VESYVPLFP 1049.529 antibacterial Inhouse_peptide NA peptide +HMDB04878 Trihexosylceramide (d18:1/9Z-18:1) C54H99NO18 1049.686157 NA HMDB2010 NA NA +HMDB04878 Trihexosylceramide (d18:1/9Z-18:1) C54H99NO18 1049.68628 http://www.hmdb.ca/metabolites/HMDB04878 PFEM_hmdb_metabocards_urine NA urine +HMDB04878 Trihexosylceramide (d18:1/9Z-18:1) C54H99NO18 1049.68628 http://www.hmdb.ca/metabolites/HMDB04878 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04878 Trihexosylceramide (d18:1/9Z-18:1) C54H99NO18 1049.68628 http://www.hmdb.ca/metabolites/HMDB04878 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04878 Trihexosylceramide (d18:1/9Z-18:1) C54H99NO18 1049.68628 http://www.hmdb.ca/metabolites/HMDB04878 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04878 Trihexosylceramide (d18:1/9Z-18:1) C54H99NO18 1049.68628 http://www.hmdb.ca/metabolites/HMDB04878 HMDB NA NA +HMDB04878 Trihexosylceramide (d18:1/9Z-18:1) C54H99NO18 1049.68628 http://www.hmdb.ca/metabolites/HMDB04878 PFEM_hmdb_metabocards_blood NA blood +HMDB04878 Trihexosylceramide (d18:1/9Z-18:1) C54H99NO18 1049.68628 HMDB04878 PFEM_hmdb_metabocards_official NA NA +MetaCyc04377 UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate [UDP-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-meso-2,6-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-diaminopimelate;UDP-MurNAc-L-Ala-D-Glu-mesoA2pm;] C35H54N7O26P2 1050.259373 NA metacyc NA NA +HMDB10147 PIP3(16:0/16:0) C41H82O22P4 1050.424805 NA HMDB2010 NA NA +HMDB10045 PIP2(16:0/22:2(13Z,16Z)) C47H89O19P3 1050.521118 NA HMDB2010 NA NA +HMDB10067 PIP2(18:0/20:2(11Z,14Z)) C47H89O19P3 1050.521118 NA HMDB2010 NA NA +HMDB10080 PIP2(18:1(11Z)/20:1(11Z)) C47H89O19P3 1050.521118 NA HMDB2010 NA NA +HMDB10093 PIP2(18:1(9Z)/20:1(11Z)) C47H89O19P3 1050.521118 NA HMDB2010 NA NA +HMDB10103 PIP2(18:2(9Z,12Z)/20:0) C47H89O19P3 1050.521118 NA HMDB2010 NA NA +HMDB10114 PIP2(20:0/18:2(9Z,12Z)) C47H89O19P3 1050.521118 NA HMDB2010 NA NA +HMDB10116 PIP2(20:1(11Z)/18:1(11Z)) C47H89O19P3 1050.521118 NA HMDB2010 NA NA +HMDB10117 PIP2(20:1(11Z)/18:1(9Z)) C47H89O19P3 1050.521118 NA HMDB2010 NA NA +HMDB10120 PIP2(20:2(11Z,14Z)/18:0) C47H89O19P3 1050.521118 NA HMDB2010 NA NA +HMDB10140 PIP2(22:2(13Z,16Z)/16:0) C47H89O19P3 1050.521118 NA HMDB2010 NA NA +C08900 Gitonin C50H82O23 1050.5247 NA KEGG NA NA +7349 celiac sprue gluten epitope found in omega-gliadin PFPQPQQPI 1050.534 antioxidative Inhouse_peptide NA peptide +7350 celiac sprue gluten epitope found in omega-gliadin PQPQLPFPQ 1050.534 antioxidative Inhouse_peptide NA peptide +7357 celiac sprue gluten epitope found in hordein PFPQQPIPQ 1050.534 antioxidative Inhouse_peptide NA peptide +7361 celiac sprue gluten epitope found in hordein PLPQPQQPF 1050.534 antioxidative Inhouse_peptide NA peptide +7363 celiac sprue gluten epitope found in hordein PQPFPQQPI 1050.534 antioxidative Inhouse_peptide NA peptide +2795 polyphemusin I from homocytes of horse shoe crab RRWCFRVCYRGFCYRKCRG 1051.07545 MH2+ Inhouse_peptide NA peptide +C04877 UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6- C35H55N7O26P2 1051.2672 NA KEGG NA NA +C04880 N-Acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,3-(R1)-beta-D- C20H34NO16R 1051.2672 NA KEGG NA NA +FL7AACGL0088 Cyanidin 3-O-[2''-O-(xylosyl)-6''-O-(p-O-(glucosyl)-p-coumaroyl) glucoside] 5-O-glucoside C47H55O27 1051.293 - knapsack NA NA +C16165 (5Z,8Z,11Z,14Z,17Z)-Icosapentaenoyl-CoA C41H64N7O17P3S 1051.3292 NA KEGG NA NA +HMDB06514 timnodonyl coenzyme A C41H64N7O17P3S 1051.32922 http://www.hmdb.ca/metabolites/HMDB06514 HMDB NA NA +HMDB06514 timnodonyl coenzyme A C41H64N7O17P3S 1051.32922 HMDB06514 PFEM_hmdb_metabocards_official NA NA +HMDB06514 Timnodonyl CoA C41H64N7O17P3S 1051.329224 NA HMDB2010 NA NA +7355 celiac sprue gluten epitope found in hordein PFPQPQQPN 1051.4929 antioxidative Inhouse_peptide NA peptide +7354 celiac sprue gluten epitope found in hordein PFPQPQEPI 1051.518 antioxidative Inhouse_peptide NA peptide +HMDB06994 CDP-DG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C52H83N3O15P2 1051.529907 NA HMDB2010 NA NA +HMDB07002 CDP-DG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C52H83N3O15P2 1051.529907 NA HMDB2010 NA NA +7707 pyrokinin TENMO-PK-3 HLSPFSPRL~ 1051.579 antioxidative Inhouse_peptide NA peptide +8169 ACE inhibitor GPVRGPFPII 1051.603 antibacterial Inhouse_peptide NA peptide +8286 antioxidative peptide GPVRGPFPII 1051.603 NA ;SYN:15N-acetylglycine a-radical; 2-acetamidoacetate; 2-acetamidoacetic acid; Acetylglycine; N-acetylglycine sodium salt; acetamidoacetate; acetamidoacetic acid; aceturate; aceturic acid; acetylaminoacetate; acetylaminoacetic acid; acetylglycocoll; ethanoylaminoethanoate; ethanoylaminoethanoic acid; n-acetyl-glycine; n-acetylglycine; Ac GlyH2Blood; Urine Inhouse_peptide NA peptide +C01776 Aculeacin A C51H85N7O16 1051.6053 NA KEGG NA NA +C01777 Acylcholine C6H13NO2R 1051.6053 NA KEGG NA NA +HMDB04880 Trihexosylceramide (d18:1/18:0) C54H101NO18 1051.7019 http://www.hmdb.ca/metabolites/HMDB04880 PFEM_hmdb_metabocards_urine NA urine +HMDB04880 Trihexosylceramide (d18:1/18:0) C54H101NO18 1051.7019 http://www.hmdb.ca/metabolites/HMDB04880 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04880 Trihexosylceramide (d18:1/18:0) C54H101NO18 1051.7019 http://www.hmdb.ca/metabolites/HMDB04880 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04880 Trihexosylceramide (d18:1/18:0) C54H101NO18 1051.7019 http://www.hmdb.ca/metabolites/HMDB04880 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04880 Trihexosylceramide (d18:1/18:0) C54H101NO18 1051.7019 http://www.hmdb.ca/metabolites/HMDB04880 HMDB NA NA +HMDB04880 Trihexosylceramide (d18:1/18:0) C54H101NO18 1051.7019 http://www.hmdb.ca/metabolites/HMDB04880 PFEM_hmdb_metabocards_blood NA blood +HMDB04880 Trihexosylceramide (d18:1/18:0) C54H101NO18 1051.7019 HMDB04880 PFEM_hmdb_metabocards_official NA NA +HMDB04880 Trihexosylceramide (d18:1/18:0) C54H101NO18 1051.701904 NA HMDB2010 NA NA +HMDB01165 Keratan C28H48N2O32S4 1052.1073 http://www.hmdb.ca/metabolites/HMDB01165 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01165 Keratan C28H48N2O32S4 1052.1073 http://www.hmdb.ca/metabolites/HMDB01165 HMDB NA NA +HMDB01165 Keratan C28H48N2O32S4 1052.1073 http://www.hmdb.ca/metabolites/HMDB01165 PFEM_hmdb_metabocards_blood NA blood +HMDB01165 Keratan C28H48N2O32S4 1052.1073 HMDB01165 PFEM_hmdb_metabocards_official NA NA +HMDB01165 Keratan C28H48N2O32S4 1052.1073 NA HMDB2010 NA NA +8204 peptide from Cornu Bubali (Bubalus Bubalis horn) YEDCTDCGN 1052.2697 Short chain acyl carnitines ;SYN:2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-Ethanaminium inner salt; Choline Alfoscerate; Choline glycerophosphate; Glycerol 3-phosphocholine; Glycerol phosphorylcholine; Glycerol-3-phosphatidylcholine; Glycerophosphatidylcholine; Glycerophosphocholine; Glycerophosphorylcholine; L-Choline hydroxide 2,3-dihydroxypropyl hydrogen phosphate inner salt; L-alpha-Glycerophosphocholine; L-alpha-Glycerophosphorylcholine; L-alpha-Glycerylphosphorylcholine; a-Glycerophosphorylcholine; a-Glycerylphosphorylcholine; alpha-Glycerophosphorylcholine; hydrogen glycerophosphate Choline; sn-Glycero-3-phosphocholine; alpha-Glycerylphosphorylcholine; GPCho; GPCH2Blood; Breast Milk; Cerebrospinal Fluid; Semen Inhouse_peptide NA peptide +2911 neuropeptide from eyestalk of Macrobrachium rosenb SDRNFLRF~ 1052.5398 antibacterial Inhouse_peptide NA peptide +8174 peptide derived from bovine b-casein (1-28) LLYQEPVLGPVRGPFPIIV 1053.103 MH2+ Inhouse_peptide NA peptide +HMDB03951 5Z,8Z,11Z,14Z-eicosatetraenonyl-CoA C41H66N7O17P3S 1053.344849 NA HMDB2010 NA NA +HMDB06523 Arachidonyl-CoA C41H66N7O17P3S 1053.344849 NA HMDB2010 NA NA +HMDB03951 5Z,8Z,11Z,14Z-eicosatetraenonyl-CoA C41H66N7O17P3S 1053.34485 http://www.hmdb.ca/metabolites/HMDB03951 HMDB NA NA +HMDB03951 5Z,8Z,11Z,14Z-eicosatetraenonyl-CoA C41H66N7O17P3S 1053.34485 HMDB03951 PFEM_hmdb_metabocards_official NA NA +C02249 Arachidonyl-CoA C41H66N7O17P3S 1053.3449 NA KEGG NA NA +C02251 Artiopeptin III C41H66N7O17P3S 1053.3449 NA KEGG NA NA +C02252 Arylhydroxamate NH2OR 1053.3449 NA KEGG NA NA +C16164 (8Z,11Z,14Z,17Z)-Icosatetraenoyl-CoA C41H66N7O17P3S 1053.3449 NA KEGG NA NA +7455 coeliac toxic peptide QVQWPQQQPFPQPQQPF 1053.5035 MH2+ Inhouse_peptide NA peptide +HMDB06985 CDP-DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C52H85N3O15P2 1053.545532 NA HMDB2010 NA NA +5492 Apidaecin IB GNNRPVYIPQPRPPHPRL 1053.56835 MH2+ Inhouse_peptide NA peptide +8314 Anticancer peptide LNENLLRFFVAPFPEVFG 1054.0464 MH2+ Inhouse_peptide NA peptide +C15435 Fenbutatin oxide C60H78OSn2 1054.4097 NA KEGG NA NA +C03595 8,11,14-Eicosatrienoyl-CoA C41H68N7O17P3S 1055.3605 NA KEGG NA NA +C03597 Actinomycinic monolactone C41H68N7O17P3S 1055.3605 NA KEGG NA NA +C16179 (11Z,14Z,17Z)-Icosatrienoyl-CoA C41H68N7O17P3S 1055.3605 NA KEGG NA NA +C07105 Lys-vasopressin C46H65N13O12S2 1055.4317 NA KEGG NA NA +HMDB01980 Vasopressin C46H65N13O12S2 1055.43176 http://www.hmdb.ca/metabolites/HMDB01980 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01980 Vasopressin C46H65N13O12S2 1055.43176 http://www.hmdb.ca/metabolites/HMDB01980 HMDB NA NA +HMDB01980 Vasopressin C46H65N13O12S2 1055.43176 NA ;SYN:(2R)-2,5-diaminopentanoate; (2R)-2,5-diaminopentanoic acid; (R)-ornithine; ornithineH2Blood; Urine Inhouse_peptide NA peptide +HMDB01980 Vasopressin C46H65N13O12S2 1055.43176 http://www.hmdb.ca/metabolites/HMDB01980 PFEM_hmdb_metabocards_blood NA blood +HMDB01980 Vasopressin C46H65N13O12S2 1055.43176 HMDB01980 PFEM_hmdb_metabocards_official NA NA +HMDB01980 Vasopressin C46H65N13O12S2 1055.431763 NA HMDB2010 NA NA +C12156 Nystatin A3 C53H85NO20 1055.5665 NA KEGG NA NA +C08031 Erythromycin estolate C40H71NO14 1055.6426 NA KEGG NA NA +HMDB02071 O-2-(acetylamino)-2-deoxy-a-D-Gal-(1->3)-O-[6-deoxy-a-L-Gal-(1->2)]-O-b-D-Gal-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-Glc-(1->3)-O-b-D-Gal-(1->4)-D-Glucose C40H68N2O30 1056.38574 http://www.hmdb.ca/metabolites/HMDB02071 HMDB NA NA +HMDB02071 O-2-(acetylamino)-2-deoxy-a-D-Gal-(1->3)-O-[6-deoxy-a-L-Gal-(1->2)]-O-b-D-Gal-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-Glc-(1->3)-O-b-D-Gal-(1->4)-D-Glucose C40H68N2O30 1056.38574 HMDB02071 PFEM_hmdb_metabocards_official NA NA +HMDB02071 O-2-(acetylamino)-2-deoxy-a-D-Gal-(1->3)-O-[6-deoxy-a-L-Gal-(1->2)]-O-b-D-Gal-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-Glc-(1->3)-O-b-D-Gal-(1->4)-D-Glucose C40H68N2O30 1056.385742 NA HMDB2010 NA NA +C16885 Gambieric acid A C59H92O16 1056.6385 NA KEGG NA NA +MetaCyc04378 2'-(5''-triphosphoribosyl)-3'-dephospho-CoA [] C26H44N7O26P5S1 1057.074478 NA metacyc NA NA +C16330 3-Oxo-OPC8-CoA C39H62N7O19P3S 1057.3034 NA KEGG NA NA +C16180 (11Z,14Z)-Icosadienoyl-CoA C41H70N7O17P3S 1057.3762 NA KEGG NA NA +HMDB06993 CDP-DG(18:1(11Z)/22:3(10Z,13Z,16Z)) C52H89N3O15P2 1057.576904 NA HMDB2010 NA NA +HMDB07001 CDP-DG(18:1(9Z)/22:3(10Z,13Z,16Z)) C52H89N3O15P2 1057.576904 NA HMDB2010 NA NA +2771 NA YEKPGSPPREVVPRPRPGV 1058.067 MH2+ Inhouse_peptide NA peptide +C08956 Helianthoside A C53H86O21 1058.5662 NA KEGG NA NA +2855 NA FGGFTRRIRPKLKWDNQ 1059.0714 MH2+ Inhouse_peptide NA peptide +C16329 3-Hydroxy-OPC8-CoA C39H64N7O19P3S 1059.3191 NA KEGG NA NA +C16530 Icosenoyl-CoA C41H72N7O17P3S 1059.3918 NA KEGG NA NA +3340 bradykinin RPPGFSPFR 1059.547 celiac toxic Inhouse_peptide NA peptide +3101 beta-amyloid protein fragment:25-35 GSNKGAIIGLM 1059.5613 celiac toxic Inhouse_peptide NA peptide +HMDB04246 Bradykinin C50H73N15O11 1059.5614 http://www.hmdb.ca/metabolites/HMDB04246 HMDB NA NA +C00306 Bradykinin C50H73N15O11 1059.5614 NA KEGG NA NA +HMDB04246 Bradykinin C50H73N15O11 1059.5614 HMDB04246 PFEM_hmdb_metabocards_official NA NA +HMDB04246 Bradykinin C50H73N15O11 1059.561401 NA HMDB2010 NA NA +HMDB06984 CDP-DG(18:0/22:3(10Z,13Z,16Z)) C52H91N3O15P2 1059.592529 NA HMDB2010 NA NA +7713 NA AWQSLQSGW~ 1060.496 antioxidative Inhouse_peptide NA peptide +3456 PEP inhibitor LSPFWNINA 1060.5217 ACE inhibitor Inhouse_peptide NA peptide +C16852 Gambiertoxin 4b C60H84O16 1060.5759 NA KEGG NA NA +5491 Apidaecin II GNNRPIYIPQPRPPHPRL 1060.5764 MH2+ Inhouse_peptide NA peptide +MetaCyc04379 3-oxopristanoyl-CoA [[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-2,2-dimethyl-3-[2-[2-(2,6,10,14-tetramethyl-3-oxo- pentadecanoyl)sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]- phosphinoyl]oxy-phosphinoyl]oxymethyl]tetrahydrofuran-3-yl] oxyphosphonic acid;] C40H70N7O18P3S1 1061.371089 NA metacyc NA NA +HMDB02057 Pristanoyl-CoA C40H70N7O18P3S 1061.37109 http://www.hmdb.ca/metabolites/HMDB02057 HMDB NA NA +HMDB02057 Pristanoyl-CoA C40H70N7O18P3S 1061.37109 HMDB02057 PFEM_hmdb_metabocards_official NA NA +HMDB02057 Pristanoyl-CoA C40H70N7O18P3S 1061.371094 NA HMDB2010 NA NA +C07297 3-Oxopristanoyl-CoA C40H70N7O18P3S 1061.3711 NA KEGG NA NA +C07299 Cutin C40H70N7O18P3S 1061.3711 NA KEGG NA NA +C07300 Cutin monomer C40H70N7O18P3S 1061.3711 NA KEGG NA NA +HMDB01359 Phytanoyl-CoA C41H74N7O17P3S 1061.40747 http://www.hmdb.ca/metabolites/HMDB01359 HMDB NA NA +HMDB04258 Eicosanoyl-CoA C41H74N7O17P3S 1061.40747 http://www.hmdb.ca/metabolites/HMDB04258 HMDB NA NA +HMDB06504 phytanoyl CoA C41H74N7O17P3S 1061.40747 http://www.hmdb.ca/metabolites/HMDB06504 HMDB NA NA +HMDB06523 arachidyl coenzyme A C41H74N7O17P3S 1061.40747 http://www.hmdb.ca/metabolites/HMDB06523 HMDB NA NA +HMDB01359 Phytanoyl-CoA C41H74N7O17P3S 1061.40747 HMDB01359 PFEM_hmdb_metabocards_official NA NA +HMDB04258 Eicosanoyl-CoA C41H74N7O17P3S 1061.40747 HMDB04258 PFEM_hmdb_metabocards_official NA NA +HMDB06504 phytanoyl CoA C41H74N7O17P3S 1061.40747 HMDB06504 PFEM_hmdb_metabocards_official NA NA +HMDB06523 arachidyl coenzyme A C41H74N7O17P3S 1061.40747 HMDB06523 PFEM_hmdb_metabocards_official NA NA +HMDB01359 Phytanoyl-CoA C41H74N7O17P3S 1061.407471 NA HMDB2010 NA NA +HMDB04258 Eicosanoyl-CoA C41H74N7O17P3S 1061.407471 NA HMDB2010 NA NA +MetaCyc04380 icosanoyl-CoA [eicosanoyl-CoA;[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-3-[2-(2-icosanoylsulfanylethylcarbamoyl)ethylcarbamoyl]- 2,2-dimethyl-propoxy]-phosphinoyl]oxy-phosphinoyl]oxymethyl] tetrahydrofuran-3-yl]oxyphosphonic acid;] C41H74N7O17P3S1 1061.407474 NA metacyc NA NA +MetaCyc04381 phytanoyl-CoA [] C41H74N7O17P3S1 1061.407474 NA metacyc NA NA +C02041 Eicosanoyl-CoA C41H74N7O17P3S 1061.4075 NA KEGG NA NA +C02060 Phytanoyl-CoA C41H74N7O17P3S 1061.4075 NA KEGG NA NA +C02061 Plastoquinone C8H8O2 1061.4075 NA KEGG NA NA +C02062 Prokallikrein C8H8O2 1061.4075 NA KEGG NA NA +8336 fragment 165-181of ovine as2-casein LKKISQRYQKFALPQYL 1061.604 MH2+ Inhouse_peptide NA peptide +FL5FADGS0033 Isorhamnetin 3-rhamnosyl-(1->6)-[rhamnosyl-(1->2)-(3'''-(E)-p-coumaroylgalactoside]-7-rhamnoside;Quercetin 3'-methyl ether 3-rhamnosyl-(1->6)-[rhamnosyl-(1->2)-(3'''-(E)-p-coumaroylgalactoside]-7-rhamnoside;3-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-3-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one C49H58O26 1062.3216 412929-26-1 knapsack NA NA +C08887 Avenacoside A C51H82O23 1062.5247 NA KEGG NA NA +7321 celiac sprue gluten epitope from gamma-gliadin PQPQQQLPQ 1062.53 antioxidative Inhouse_peptide NA peptide +7324 celiac sprue gluten epitope from gamma-gliadin PQQQIPQPQ 1062.53 antioxidative Inhouse_peptide NA peptide +7325 celiac sprue gluten epitope from gamma-gliadin PQQQLPQPQ 1062.53 antioxidative Inhouse_peptide NA peptide +7335 celiac sprue gluten epitope from gamma-gliadin QQPQQPLPQ 1062.53 antioxidative Inhouse_peptide NA peptide +7385 celiac sprue gluten epitope found in hordein QQPLPQQPQ 1062.53 antioxidative Inhouse_peptide NA peptide +7395 celiac sprue gluten epitope found in hordein* QQPIPQQPQ 1062.53 antioxidative Inhouse_peptide NA peptide +C17468 Methylprotodioscin C52H86O22 1062.5611 NA KEGG NA NA +7386 celiac sprue gluten epitope found in hordein QQPNPQQPQ 1063.4889 antioxidative Inhouse_peptide NA peptide +7376 celiac sprue gluten epitope found in hordein QEPIPQQPQ 1063.514 antioxidative Inhouse_peptide NA peptide +3031 calmodulin-binding peptide KPWIQPKTKVIPYVRYL 1064.1185 MH2+ Inhouse_peptide NA peptide +FL5FAAGL0105 Kaempferol 3-neohesperidoside-7-(2''-p-coumaryllaminaribioside) C48H56O27 1064.3008 173268-25-2 knapsack NA NA +FL5FACGS0122 Capilliposide I;Quercetin 3-rhamnosyl-(1->2)-[glucosyl-(1->3)-(4'''-p-coumaroylrhamnosyl)-(1->6)-galactoside];3-[[O-beta-D-glucopyranosyl-(1->3)-O-6-deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl-(1->6)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->2)]-beta-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one C48H56O27 1064.3008 479199-50-3 knapsack NA NA +C17537 Sibiricoside B C50H80O24 1064.504 NA KEGG NA NA +C08895 Deltoside C51H84O23 1064.5403 NA KEGG NA NA +C08908 Protogracillin C51H84O23 1064.5403 NA KEGG NA NA +3758 NA QWGRRCCGWGPGRRYCRRWC 1064.55005 MH2+ Inhouse_peptide NA peptide +8198 f(92-100) of bovine b-lactoglobulin VLVLDTDYK 1064.5618 NA ;SYN:((amino(imino)methyl)(methyl)amino)acetate; ((amino(imino)methyl)(methyl)amino)acetic acid; (alpha-Methylguanido)acetate; (alpha-Methylguanido)acetic acid; Cosmocair C 100; Creatin; Creatine; Creatine hydrate; Kreatin; Krebiozon; Methylguanidoacetate; Methylguanidoacetic acid; N-(Aminoiminomethyl)-N-Methyl-Glycine; N-Methyl-N-guanylglycine; Phosphagen; [[Amino(imino)methyl](methyl)amino]acetate; [[Amino(imino)methyl](methyl)amino]acetic acidH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB04890 Ganglioside GA2 (d18:1/16:0) C54H100N2O18 1064.69714 http://www.hmdb.ca/metabolites/HMDB04890 HMDB NA NA +HMDB04890 Ganglioside GA2 (d18:1/16:0) C54H100N2O18 1064.69714 HMDB04890 PFEM_hmdb_metabocards_official NA NA +HMDB04890 Ganglioside GA2 (d18:1/16:0) C54H100N2O18 1064.697144 NA HMDB2010 NA NA +2860 NA FGGFLRRIRPKLKWDNQ 1065.08985 MH2+ Inhouse_peptide NA peptide +FL7AAAGL0061 Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-p-coumaroyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-caffeylglucosyl)-6-p-coumarylglucoside)-5-glucoside C51H53O25 1065.2875 448963-06-2 knapsack NA NA +FL7AACGL0109 Cyanidin 3-[2-(6-p-coumarylglucosyl)-6-p-coumarylglucoside)]-5-glucoside C51H53O25 1065.2875 203396-74-1 knapsack NA NA +7310 celiac sprue gluten epitope from gamma-gliadin PFPQPQQPQ 1065.508 antioxidative Inhouse_peptide NA peptide +7364 celiac sprue gluten epitope found in hordein PQPFPQQPQ 1065.508 antioxidative Inhouse_peptide NA peptide +2897 neuropeptide from eyestalk of Macrobrachium rosenb TNRNFLRF~ 1065.5708 antibacterial Inhouse_peptide NA peptide +7330 celiac sprue gluten epitope from gamma-gliadin QIPQTQQPQ 1066.525 antioxidative Inhouse_peptide NA peptide +7392 celiac sprue gluten epitope found in hordein QQTIPQQPQ 1066.525 antioxidative Inhouse_peptide NA peptide +7359 celiac sprue gluten epitope found in hordein PIPQQPQPY 1066.529 antioxidative Inhouse_peptide NA peptide +2920 neuropeptide from eyestalk of Macrobrachium rosenb ADKNFLRFG 1066.5427 antibacterial Inhouse_peptide NA peptide +2698 NA LAIEGPTLRQWLHGNGRDT 1066.5454 MH2+ Inhouse_peptide NA peptide +C15698 Nostopeptolide A2 C52H78N10O14 1066.5699 NA KEGG NA NA +3670 NA KGWHKRKK 1066.635 ACE inhibitor Inhouse_peptide NA peptide +MetaCyc04382 arachidonyl-CoA [arachidonoyl-CoA;] C42H68N7O17P3S1 1067.360524 17046-56-9 metacyc NA NA +3106 adrenocorticotropin hormone Y fr:4-9 YMEHFRW 1067.4514 celiac toxic Inhouse_peptide NA peptide +7382 celiac sprue gluten epitope found in hordein QQPFPQQPV 1067.524 antioxidative Inhouse_peptide NA peptide +3757 NA QYGRRCCNWGPGRRYCKWRC 1067.54945 MH2+ Inhouse_peptide NA peptide +5441 caprine LF (from caprine lactoferrin 271-288) LRKAQEKFGKNKSQSFQL 1068.08095 MH2+ Inhouse_peptide NA peptide +C06944 Desmopressin C46H64N14O12S2 1068.427 NA KEGG NA NA +C06945 Transferred to D00292 C46H64N14O12S2 1068.427 NA KEGG NA NA +3773 dipeptidyl aminopeptidase inhibitor EPPPPEPPPI 1068.532 ACE inhibitor Inhouse_peptide NA peptide +2695 NA TIKGPTLRQWLKSREHTS 1068.5785 MH2+ Inhouse_peptide NA peptide +7315 celiac sprue gluten epitope from gamma-gliadin PFPQQPQQT 1069.503 antioxidative Inhouse_peptide NA peptide +7317 celiac sprue gluten epitope from gamma-gliadin PFPQTQQPQ 1069.503 antioxidative Inhouse_peptide NA peptide +7367 celiac sprue gluten epitope found in hordein PQPTQQFPQ 1069.503 antioxidative Inhouse_peptide NA peptide +7348 celiac sprue gluten epitope found in omega-gliadin PFPQPQLPF 1069.544 antioxidative Inhouse_peptide NA peptide +C16886 Gambieric acid B C60H94O16 1070.6542 NA KEGG NA NA +3671 NA QYRHRCCAWGPGRKYCKRWC 1072.0615 MH2+ Inhouse_peptide NA peptide +2972 maculatin 1,1, from Litoria genimaculata GLFGVLAKVAAHVVPAIAEHF~ 1072.1035 MH2+ Inhouse_peptide NA peptide +MetaCyc04383 CoA-glutathione [] C31H51N10O22P3S2 1072.183364 NA metacyc NA NA +C00920 CoA-glutathione C31H51N10O22P3S2 1072.1834 NA KEGG NA NA +HMDB02295 O-6-deoxy-a-L-galactopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-[1->3(or 1->6)]-O-[O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-[1->6(or 1->3)]]-O-b-D-galactopyranosyl-(1->4)-D-G C40H68N2O31 1072.380615 NA HMDB2010 NA NA +HMDB06602 Lacto-N-hexaose C40H68N2O31 1072.380615 NA HMDB2010 NA NA +HMDB06610 Lacto-N-neohexaose C40H68N2O31 1072.380615 NA HMDB2010 NA NA +HMDB06628 p-Lacto-N-hexaose C40H68N2O31 1072.380615 NA HMDB2010 NA NA +HMDB06667 O-b-D-galactofuranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)- D-Glucose C40H68N2O31 1072.380615 NA HMDB2010 NA NA +HMDB02295 O-6-deoxy-a-L-galactopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-[1->3(or 1->6)]-O-[O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-[1->6(or 1->3)]]-O-b-D-galactopyranosyl-(1->4)-D-G C40H68N2O31 1072.38062 http://www.hmdb.ca/metabolites/HMDB02295 HMDB NA NA +HMDB06602 Lacto-N-hexaose C40H68N2O31 1072.38062 http://www.hmdb.ca/metabolites/HMDB06602 HMDB NA NA +HMDB06610 Lacto-N-neohexaose C40H68N2O31 1072.38062 http://www.hmdb.ca/metabolites/HMDB06610 HMDB NA NA +HMDB06628 pLNH C40H68N2O31 1072.38062 http://www.hmdb.ca/metabolites/HMDB06628 HMDB NA NA +HMDB06667 O-beta-D-galactofuranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-Glucose C40H68N2O31 1072.38062 http://www.hmdb.ca/metabolites/HMDB06667 HMDB NA NA +HMDB02295 O-6-deoxy-a-L-galactopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-[1->3(or 1->6)]-O-[O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-[1->6(or 1->3)]]-O-b-D-galactopyranosyl-(1->4)-D-G C40H68N2O31 1072.38062 HMDB02295 PFEM_hmdb_metabocards_official NA NA +HMDB06602 Lacto-N-hexaose C40H68N2O31 1072.38062 HMDB06602 PFEM_hmdb_metabocards_official NA NA +HMDB06610 Lacto-N-neohexaose C40H68N2O31 1072.38062 HMDB06610 PFEM_hmdb_metabocards_official NA NA +HMDB06628 pLNH C40H68N2O31 1072.38062 HMDB06628 PFEM_hmdb_metabocards_official NA NA +HMDB06667 O-beta-D-galactofuranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-Glucose C40H68N2O31 1072.38062 HMDB06667 PFEM_hmdb_metabocards_official NA NA +3826 peptide from soybean b-conglycinin (Glycine max) LVNPHDHQN 1072.4907 neuropeptide Inhouse_peptide NA peptide +C15748 Aeruginopeptin 917S-A C54H72N8O15 1072.5117 NA KEGG NA NA +2858 dynorphin A YGGFLRRIRPKLKWDNQ 1073.0874 MH2+ Inhouse_peptide NA peptide +HMDB06267 Clupanodonyl CoA C43H64N7O17P3S 1075.329224 NA HMDB2010 NA NA +HMDB11656 2,4,7,10,13,16,19-Docosaheptaenoyl-CoA C43H64N7O17P3S 1075.329224 NA HMDB2010 NA NA +7352 celiac sprue gluten epitope found in omega-gliadin PYPQQPYPS 1075.482 antioxidative Inhouse_peptide NA peptide +HMDB11728 Bradykinin hydroxyproline C50H73N15O12 1075.556274 NA HMDB2010 NA NA +HMDB01433 Diadenosine heptaphosphate C20H31N10O28P7 1075.947266 NA HMDB2010 NA NA +HMDB01433 Diadenosine heptaphosphate C20H31N10O28P7 1075.94727 http://www.hmdb.ca/metabolites/HMDB01433 HMDB NA NA +HMDB01433 Diadenosine heptaphosphate C20H31N10O28P7 1075.94727 HMDB01433 PFEM_hmdb_metabocards_official NA NA +HMDB10149 PIP3(16:0/18:1(11Z)) C43H84O22P4 1076.44043 NA HMDB2010 NA NA +HMDB10150 PIP3(16:0/18:1(9Z)) C43H84O22P4 1076.44043 NA HMDB2010 NA NA +HMDB10151 PIP3(18:0/16:1(9Z)) C43H84O22P4 1076.44043 NA HMDB2010 NA NA +3649 heparin-binding peptide APAKNVAWCT 1076.4939 ACE inhibitor Inhouse_peptide NA peptide +C15749 Aeruginopeptin 917S-B C54H76N8O15 1076.543 NA KEGG NA NA +C16169 (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoyl-CoA C43H66N7O17P3S 1077.3449 NA KEGG NA NA +HMDB01295 2-Hydroxyphytanoyl-CoA C41H74N7O18P3S 1077.40234 http://www.hmdb.ca/metabolites/HMDB01295 HMDB NA NA +HMDB01295 2-Hydroxyphytanoyl-CoA C41H74N7O18P3S 1077.40234 HMDB01295 PFEM_hmdb_metabocards_official NA NA +HMDB01295 2-Hydroxyphytanoyl-CoA C41H74N7O18P3S 1077.402344 NA HMDB2010 NA NA +MetaCyc04384 2-hydroxyphytanoyl-CoA [] C41H74N7O18P3S1 1077.402389 NA metacyc NA NA +C07343 2-Hydroxyphytanoyl-CoA C41H74N7O18P3S 1077.4024 NA KEGG NA NA +7320 celiac sprue gluten epitope from gamma-gliadin PQPQQPQQQ 1077.504 antioxidative Inhouse_peptide NA peptide +3413 ACE inhibitor LNPPHQIYP 1077.5459 ACE inhibitor Inhouse_peptide NA peptide +7576 ACE inhibitor from chicken muscle IVGRRRHQG 1077.613 antioxidative Inhouse_peptide NA peptide +C06432 UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine C37H60N8O25P2 1078.3145 NA KEGG NA NA +33 Myofibrillar SIDDQEELM 1078.438 celiac toxic Inhouse_peptide NA peptide +2746 activating kinases and phosphatases peptide EPFYVNVPD 1078.4828 antibacterial Inhouse_peptide NA peptide +7362 celiac sprue gluten epitope found in hordein PQHQFPQPT 1078.503 antioxidative Inhouse_peptide NA peptide +7360 celiac sprue gluten epitope found in hordein PLPRPQQPF 1078.577 antioxidative Inhouse_peptide NA peptide +7495 ACE inhibitor (from bovine b-CN) NIPPLTQTPV 1078.5869 antioxidative Inhouse_peptide NA peptide +FL7AAAGL0043 Pelargonidin 3-(6''-p-coumaryl-2'''-sinapylsambubioside)-5-glucoside C52H55O25 1079.3032 175738-03-1 knapsack NA NA +FL7AAAGL0064 Pelargonidin 3-O-[2-O-(6-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-p-coumaroyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-ferulylglucosyl)-6-p-coumarylglucoside)-5-glucoside C52H55O25 1079.3032 448963-08-4 knapsack NA NA +HMDB06513 docosa-4,7,10,13,16-pentaenoyl coenzyme A C43H68N7O17P3S 1079.36047 http://www.hmdb.ca/metabolites/HMDB06513 HMDB NA NA +HMDB06513 docosa-4,7,10,13,16-pentaenoyl coenzyme A C43H68N7O17P3S 1079.36047 HMDB06513 PFEM_hmdb_metabocards_official NA NA +HMDB06513 Docosa-4,7,10,13,16-pentaenoyl CoA C43H68N7O17P3S 1079.360474 NA HMDB2010 NA NA +C16166 (7Z,10Z,13Z,16Z,19Z)-Docosapentaenoyl-CoA C43H68N7O17P3S 1079.3605 NA KEGG NA NA +C16173 (4Z,7Z,10Z,13Z,16Z)-Docosapentaenoyl-CoA C43H68N7O17P3S 1079.3605 NA KEGG NA NA +C16174 Litorin C43H68N7O17P3S 1079.3605 NA KEGG NA NA +C16175 Ranatensin C43H68N7O17P3S 1079.3605 NA KEGG NA NA +C16176 Sarafotoxin S6b C43H68N7O17P3S 1079.3605 NA KEGG NA NA +C16178 Insulin-like peptide 5 C43H68N7O17P3S 1079.3605 NA KEGG NA NA +HMDB04881 Trihexosylceramide (d18:1/20:0) C56H105NO18 1079.73315 http://www.hmdb.ca/metabolites/HMDB04881 PFEM_hmdb_metabocards_urine NA urine +HMDB04881 Trihexosylceramide (d18:1/20:0) C56H105NO18 1079.73315 http://www.hmdb.ca/metabolites/HMDB04881 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04881 Trihexosylceramide (d18:1/20:0) C56H105NO18 1079.73315 http://www.hmdb.ca/metabolites/HMDB04881 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04881 Trihexosylceramide (d18:1/20:0) C56H105NO18 1079.73315 http://www.hmdb.ca/metabolites/HMDB04881 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04881 Trihexosylceramide (d18:1/20:0) C56H105NO18 1079.73315 http://www.hmdb.ca/metabolites/HMDB04881 HMDB NA NA +HMDB04881 Trihexosylceramide (d18:1/20:0) C56H105NO18 1079.73315 http://www.hmdb.ca/metabolites/HMDB04881 PFEM_hmdb_metabocards_blood NA blood +HMDB04881 Trihexosylceramide (d18:1/20:0) C56H105NO18 1079.73315 HMDB04881 PFEM_hmdb_metabocards_official NA NA +HMDB04881 Trihexosylceramide (d18:1/20:0) C56H105NO18 1079.733154 NA HMDB2010 NA NA +7775 Streptococcus mutans inhibitor QLKTADLPAGRDETTSFVLV 1080.0624 MH2+ Inhouse_peptide NA peptide +C15697 Nostopeptolide A1 C53H80N10O14 1080.5855 NA KEGG NA NA +7703 pyrokinin TENMO-PK-1 HVVNFTPRL~ 1080.6049 antioxidative Inhouse_peptide NA peptide +FL7AAAGL0058 Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-caffeoyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-caffeylglucosyl)-6-caffeylglucoside)-5-glucoside;Ipomoea Red anthocyanin 4 C51H53O26 1081.2825 776278-54-7 knapsack NA NA +FL7AACGL0111 Cyanidin 3-[2-(6-p-coumarylglucosyl)-6-caffeoylglucoside]-5-glucoside C51H53O26 1081.2825 611232-15-6 knapsack NA NA +FL7AAAGL0049 Pelargonidin 3-[6'''-(3-glucosylcaffeyl)sophoroside]-5-glucoside C48H57O28 1081.3036 - knapsack NA NA +FL7AACGL0070 Cyanidin 3-[6''-(4-glucosyl-p-coumaryl)sophoroside]-5-glucoside C48H57O28 1081.3036 - knapsack NA NA +FL7AAGGL0048 Delphinidin 3-O-[6-O-(4-O-(4-O-(beta-D-glucopyranosyl)-trans-p-coumaroyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside] C48H57O28 1081.3036 307548-62-5 knapsack NA NA +FL7AAGGL0064 Delphinidin 3-rutinoside-7-(6-p-coumaroylglucoside)-3'-glucoside C48H57O28 1081.3036 - knapsack NA NA +C16170 (7Z,10Z,13Z,16Z)-Docosatetraenoyl-CoA C43H70N7O17P3S 1081.3762 NA KEGG NA NA +7326 celiac sprue gluten epitope from gamma-gliadin PQTQQPQQQ 1081.499 antioxidative Inhouse_peptide NA peptide +7369 celiac sprue gluten epitope found in hordein PQPYPQQPQ 1081.503 antioxidative Inhouse_peptide NA peptide +7413 celiac sprue gluten epitope found in secalin* PQPQQPYPQ 1081.503 antioxidative Inhouse_peptide NA peptide +7312 celiac sprue gluten epitope from gamma-gliadin PFPQPQQQL 1081.54 antioxidative Inhouse_peptide NA peptide +7316 celiac sprue gluten epitope from gamma-gliadin PFPQQQQPL 1081.54 antioxidative Inhouse_peptide NA peptide +7332 celiac sprue gluten epitope from gamma-gliadin QLPFPQQPQ 1081.54 antioxidative Inhouse_peptide NA peptide +7333 celiac sprue gluten epitope from gamma-gliadin QQPQLPFPQ 1081.54 antioxidative Inhouse_peptide NA peptide +7334 celiac sprue gluten epitope from gamma-gliadin QQPQQPFPL 1081.54 antioxidative Inhouse_peptide NA peptide +7381 celiac sprue gluten epitope found in hordein QQPFPQQPI 1081.54 antioxidative Inhouse_peptide NA peptide +7396 celiac sprue gluten epitope found in secalin IQPQQPFPQ 1081.54 antioxidative Inhouse_peptide NA peptide +7398 celiac sprue gluten epitope found in secalin PFPQQPQQI 1081.54 antioxidative Inhouse_peptide NA peptide +2686 NA GNADGPTLRQWLEGRRPKN 1082.05385 MH2+ Inhouse_peptide NA peptide +7701 ACE inhibitor from human plasma YLYEIARR 1082.575 antioxidative Inhouse_peptide NA peptide +C13662 Arg-vasopressin C46H65N15O12S2 1083.4379 NA KEGG NA NA +C13663 Transferred to D02129 C46H65N15O12S2 1083.4379 NA KEGG NA NA +3324 NA HDMNKVLDL 1083.5251 celiac toxic Inhouse_peptide NA peptide +7346 celiac sprue gluten epitope found in glutenin QFPQQQIPV 1083.556 antioxidative Inhouse_peptide NA peptide +8158 ACE inhibitor from beta-CN (104-120) PKHKEMPFPPKYPVEPFT 1084.0452 MH2+ Inhouse_peptide NA peptide +HMDB05795 Punicalagin C48H28O30 1084.066528 NA HMDB2010 NA NA +HMDB05795 Punicalagin C48H28O30 1084.06653 http://www.hmdb.ca/metabolites/HMDB05795 HMDB NA NA +HMDB05795 Punicalagin C48H28O30 1084.06653 HMDB05795 PFEM_hmdb_metabocards_official NA NA +C12389 Mithramycin C52H76O24 1084.4727 NA KEGG NA NA +7356 celiac sprue gluten epitope found in hordein PFPQQPFPQ 1084.518 antioxidative Inhouse_peptide NA peptide +C16645 (13Z,16Z)-Docosadi-13,16-enoyl-CoA C43H74N7O17P3S 1085.4075 NA KEGG NA NA +7384 celiac sprue gluten epitope found in hordein QQPFPQQTI 1085.535 antioxidative Inhouse_peptide NA peptide +7411 celiac sprue gluten epitope found in secalin QQTQQPFPL 1085.535 antioxidative Inhouse_peptide NA peptide +HMDB06563 Hexaglutamyl folate C44H54N12O21 1086.35266 http://www.hmdb.ca/metabolites/HMDB06563 HMDB NA NA +HMDB06563 Hexaglutamyl folate C44H54N12O21 1086.35266 HMDB06563 PFEM_hmdb_metabocards_official NA NA +HMDB06563 Hexaglutamyl folate C44H54N12O21 1086.352661 NA HMDB2010 NA NA +C15721 Triostin A C50H62N12O12S2 1086.4052 NA KEGG NA NA +7715 NA NWGQFHGGW~ 1086.4639 antioxidative Inhouse_peptide NA peptide +3822 NA GLLRRLRKKIGEIFKKYG 1087.1675 MH2+ Inhouse_peptide NA peptide +C16531 Docosenoyl-CoA C43H76N7O17P3S 1087.4231 NA KEGG NA NA +7813 ACE inhibitor from yellowfish sole MIFPGAGGPEL 1087.5224 antibacterial Inhouse_peptide NA peptide +7053 Cecropin magainin hybrid, synthetic peptide KWKLFKKIKFLHSAKKF 1088.16 MH2+ Inhouse_peptide NA peptide +HMDB11673 Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol C47H82N2O22P2 1088.483398 NA HMDB2010 NA NA +7313 celiac sprue gluten epitope from gamma-gliadin PFPQPQQTF 1088.513 antioxidative Inhouse_peptide NA peptide +MetaCyc04385 α-D-galactosyl-diphosphoundecaprenol [] C61H102O12P2 1088.684652 NA metacyc NA NA +C04507 alpha-D-Galactosyl-diphosphoundecaprenol C61H102O12P2 1088.6847 NA KEGG NA NA +C04508 alpha-D-Glucosylpoly(glycerol phosphate) C3H9O6P 1088.6847 NA KEGG NA NA +C16528 Docosanoyl-CoA C43H78N7O17P3S 1089.4388 NA KEGG NA NA +3108 adrenocorticotropin hormone fr,:4-11 MEHFRWGK 1089.5034 celiac toxic Inhouse_peptide NA peptide +7465 coeliac toxic peptide AGQQQPFPPQQPYPQPQPF 1089.5135 MH2+ Inhouse_peptide NA peptide +8243 Antioxidative peptide LVEKGDVAFI 1089.5929 NA ;SYN:(-)-Serine; (S)-2-Amino-3-hydroxypropanoate; (S)-2-Amino-3-hydroxypropanoic acid; (S)-2-amino-3-hydroxy-Propanoate; (S)-2-amino-3-hydroxy-Propanoic acid; (S)-Serine; (S)-a-Amino-b-hydroxypropionate; (S)-a-Amino-b-hydroxypropionic acid; (S)-alpha-Amino-beta-hydroxypropionate; (S)-alpha-Amino-beta-hydroxypropionic acid; (S)-b-Amino-3-hydroxypropionate; (S)-b-Amino-3-hydroxypropionic acid; 2-Amino-3-hydroxypropanoate; 2-Amino-3-hydroxypropanoic acid; 3-hydroxy-L-Alanine; L-(-)-Serine; L-3-Hydroxy-2-aminopropionate; L-3-Hydroxy-2-aminopropionic acid; L-3-Hydroxy-alanine; L-Ser; b-Hydroxy-L-alanine; beta-Hydroxy-L-alanine; beta-Hydroxyalanine; (S)-beta-Amino-3-hydroxypropionate; (S)-beta-Amino-3-hydroxypropionic acid; SerineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +7390 celiac sprue gluten epitope found in hordein QQPQQPLPR 1090.573 antioxidative Inhouse_peptide NA peptide +C08970 Primulasaponin C54H90O22 1090.5924 NA KEGG NA NA +HMDB04889 Ganglioside GA2 (d18:1/9Z-18:1) C56H102N2O18 1090.712769 NA HMDB2010 NA NA +HMDB04889 Ganglioside GA2 (d18:1/9Z-18:1) C56H102N2O18 1090.71277 http://www.hmdb.ca/metabolites/HMDB04889 HMDB NA NA +HMDB04889 Ganglioside GA2 (d18:1/9Z-18:1) C56H102N2O18 1090.71277 HMDB04889 PFEM_hmdb_metabocards_official NA NA +FL6DAGGS0004 Leucodelphinidin 4-O-[2,4-bisgalloyl-6-(3-galloylgalloyl)-beta-D-glucopyranoside] C49H40O29 1092.1655 90538-78-6 knapsack NA NA +C12388 Premithramycin B C53H72O24 1092.4414 NA KEGG NA NA +2838 oryzatensin - smooth musles contracting peptide GYPMYPLPR 1092.5284 NA Inhouse_peptide NA peptide +2839 oryzatensin GYPMYPLPR 1092.5284 antibacterial Inhouse_peptide NA peptide +2840 oryzatensin GYPMYPLPR 1092.5284 NA Inhouse_peptide NA peptide +HMDB04891 Ganglioside GA2 (d18:1/18:0) C56H104N2O18 1092.72839 http://www.hmdb.ca/metabolites/HMDB04891 HMDB NA NA +HMDB04891 Ganglioside GA2 (d18:1/18:0) C56H104N2O18 1092.72839 HMDB04891 PFEM_hmdb_metabocards_official NA NA +HMDB04891 Ganglioside GA2 (d18:1/18:0) C56H104N2O18 1092.728394 NA HMDB2010 NA NA +MetaCyc04386 dolichol-group [Dolichol;] C80H132 1093.032904 NA metacyc NA NA +C08926 Avenacin A-1 C55H83NO21 1093.5458 NA KEGG NA NA +2743 activating kinases and phosphatases peptide EPFYVNDPD 1094.4417 antibacterial Inhouse_peptide NA peptide +FL7AAAGL0059 Pelargonidin 3-O-[2-O-(6-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-caffeoyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-ferulylglucosyl)-6-caffeylglucoside)-5-glucoside C52H55O26 1095.2981 448963-05-1 knapsack NA NA +FL7AAAGL0063 Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-caffeylglucosyl)-6-ferulylglucoside)-5-glucoside C52H55O26 1095.2981 448963-07-3 knapsack NA NA +FL7AACGL0090 Cyanidin 3-O-[2''-O-(2'''-O-(sinapoyl) xylosyl) 6''-O-(p-coumaroyl) glucoside] 5-O-glucoside C52H55O26 1095.2981 - knapsack NA NA +FL7AAHGL0022 Petunidin 3-O-[6-O-(4-O-(4-O-(beta-D-glucopyranosyl)-trans-p-coumaroyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]- 5-O-[beta-D-glucopyranoside] C49H59O28 1095.3192 232617-18-4 knapsack NA NA +HMDB03947 8Z,11Z,14Z-eicosatrienoyl-CoA C44H72N7O17P3S 1095.391846 NA HMDB2010 NA NA +HMDB03947 8Z,11Z,14Z-eicosatrienoyl-CoA C44H72N7O17P3S 1095.39185 http://www.hmdb.ca/metabolites/HMDB03947 HMDB NA NA +HMDB03947 8Z,11Z,14Z-eicosatrienoyl-CoA C44H72N7O17P3S 1095.39185 HMDB03947 PFEM_hmdb_metabocards_official NA NA +FL5FAAGS0138 Kaempferol 3-(2'''-(E)-caffeoylglucosyl)-(1->2)-glucoside-7-cellobioside;3-[[2-O-[2-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-7-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C48H56O29 1096.2907 220342-45-0 knapsack NA NA +7314 celiac sprue gluten epitope from gamma-gliadin PFPQQPQQQ 1096.514 antioxidative Inhouse_peptide NA peptide +7322 celiac sprue gluten epitope from gamma-gliadin PQQQFPQPQ 1096.514 antioxidative Inhouse_peptide NA peptide +7327 celiac sprue gluten epitope from gamma-gliadin PQQQQPFPQ 1096.514 antioxidative Inhouse_peptide NA peptide +7328 celiac sprue gluten epitope from gamma-gliadin QFPQPQQPQ 1096.514 antioxidative Inhouse_peptide NA peptide +C13450 Trichomycin A C58H84N2O18 1096.5719 NA KEGG NA NA +C13451 Trichomycin B C58H84N2O18 1096.5719 NA KEGG NA NA +C13452 Transferred to D01959 C58H84N2O18 1096.5719 NA KEGG NA NA +HMDB04842 Ganglioside GM3 (d18:1/12:0) C53H96N2O21 1096.65051 http://www.hmdb.ca/metabolites/HMDB04842 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04842 Ganglioside GM3 (d18:1/12:0) C53H96N2O21 1096.65051 http://www.hmdb.ca/metabolites/HMDB04842 HMDB NA NA +HMDB04842 Ganglioside GM3 (d18:1/12:0) C53H96N2O21 1096.65051 http://www.hmdb.ca/metabolites/HMDB04842 PFEM_hmdb_metabocards_blood NA blood +HMDB04842 Ganglioside GM3 (d18:1/12:0) C53H96N2O21 1096.65051 HMDB04842 PFEM_hmdb_metabocards_official NA NA +HMDB04842 Ganglioside GM3 (d18:1/12:0) C53H96N2O21 1096.650513 NA HMDB2010 NA NA +FL7AACGL0073 Cyanidin 3-(6'',6'''-dicaffeylsophoroside)-5-glucoside C51H53O27 1097.2774 170717-21-2<BR>36570-76-0 knapsack NA NA +FL7AACGL0081 Gentiocyanin B;Cyanidin 3-glucoside-5,3'-di-(caffeoylglucoside) C51H53O27 1097.2774 170663-60-2 knapsack NA NA +FL7AAGGL0068 Delphinidin 3-glucoside-5-(6-caffeoylglucoside)-3'-(6-(E)-p-coumaroylglucoside) C51H53O27 1097.2774 198645-14-6 knapsack NA NA +FL7AACGL0071 Cyanidin 3-[6''-(4-glucosylcaffeyl)sophoroside]-5-glucoside C48H57O29 1097.2985 155961-88-9 knapsack NA NA +FL7AAGGL0059 Preternatin C4 C48H57O29 1097.2985 215378-83-9 knapsack NA NA +7379 celiac sprue gluten epitope found in hordein QQPFPPQQE 1097.498 antioxidative Inhouse_peptide NA peptide +7466 coeliac toxic peptide LGQQQAFPPQQPYPQPQPF 1097.5295 MH2+ Inhouse_peptide NA peptide +7308 celiac sprue gluten epitope from alpha-gliadin QYPQPQQPI 1097.535 antioxidative Inhouse_peptide NA peptide +2841 orphanin FQ/nociceptin peptide [FQ/N (1-11)] FGGFTGARKSA 1097.547 antibacterial Inhouse_peptide NA peptide +3395 NA AMKPWIQPK 1097.5903 celiac toxic Inhouse_peptide NA peptide +7497 ACE inhibitor (from bovine as2-CN) AMKPWIQPK 1097.5904 antioxidative Inhouse_peptide NA peptide +3242 bombinin-like peptide BLP-2 GIGSAILSAGKSALKGGLAGHFAN~ 1097.6 MH2+ Inhouse_peptide NA peptide +5422 drosocin GKPRPYSPRPTSHPRPIRV 1098.60755 MH2+ Inhouse_peptide NA peptide +HMDB11913 Ganglioside GM3 (d18:0/12:0) C53H98N2O21 1098.66626 NA HMDB2010 NA NA +8341 Kappacin fragment AVESTVATLEDSPEVIESPPE 1099.01445 MH2+ Inhouse_peptide NA peptide +HMDB06260 Trans-2-all-cis-6,9,12,15,18,21-tetracosaheptaenoyl-CoA C45H64N7O17P3S 1099.329224 NA HMDB2010 NA NA +2880 opioid fragment of b-lipotropin beta-neoendorph YGGFLRKYP 1099.567 antibacterial Inhouse_peptide NA peptide +7779 Streptococcus mutans inhibitor TFFRLFNR 1099.5799 antioxidative Inhouse_peptide NA peptide +7792 18A peptide - lipids binding peptide DWLKAFYDKVAEKLKEAF 1100.0694 MH2+ Inhouse_peptide NA peptide +C15722 Quinomycin A C51H64N12O12S2 1100.4208 NA KEGG NA NA +7323 celiac sprue gluten epitope from gamma-gliadin PQQQFPQTQ 1100.509 antioxidative Inhouse_peptide NA peptide +7329 celiac sprue gluten epitope from gamma-gliadin QFPQTQQPQ 1100.509 antioxidative Inhouse_peptide NA peptide +7339 celiac sprue gluten epitope from gamma-gliadin QQTFPQQPQ 1100.509 antioxidative Inhouse_peptide NA peptide +7342 celiac sprue gluten epitope from gamma-gliadin QTQQPQQPF 1100.509 antioxidative Inhouse_peptide NA peptide +7358 celiac sprue gluten epitope found in hordein PFPQQPQPY 1100.513 antioxidative Inhouse_peptide NA peptide +7368 celiac sprue gluten epitope found in hordein PQPYPQQPF 1100.513 antioxidative Inhouse_peptide NA peptide +7393 celiac sprue gluten epitope found in hordein* PFPQQPYPQ 1100.513 antioxidative Inhouse_peptide NA peptide +7402 celiac sprue gluten epitope found in secalin PYPQQPFPQ 1100.513 antioxidative Inhouse_peptide NA peptide +7331 celiac sprue gluten epitope from gamma-gliadin QLPFPQQPF 1100.55 antioxidative Inhouse_peptide NA peptide +C11712 Teprotide C53H76N14O12 1100.5767 NA KEGG NA NA +2971 maculatin 1,1, from Litoria genimaculata GLFGVLAKVAAHVVPAIAEHFG 1101.10595 MH2+ Inhouse_peptide NA peptide +3579 NA SIQSQPQAFP 1101.531 ACE inhibitor Inhouse_peptide NA peptide +7067 coeliac toxic peptide PYPQPQLPY 1101.534 antioxidative Inhouse_peptide NA peptide +2633 synthetic fr, of human beta-CN (44-52) ACE inhibitor FQPQPLIYP 1101.571 NA Inhouse_peptide NA peptide +8260 f(165-181) of ovine alpha s2-casein LKKISQYYQKFAWPQYL 1101.5825 MH2+ Inhouse_peptide NA peptide +2732 regulating the frequency of heart muscles contraction peptide GWFGGADWHA 1102.4479 antibacterial Inhouse_peptide NA peptide +HMDB10154 PIP3(18:1(11Z)/18:1(11Z)) C45H86O22P4 1102.456177 NA HMDB2010 NA NA +HMDB10155 PIP3(18:1(11Z)/18:1(9Z)) C45H86O22P4 1102.456177 NA HMDB2010 NA NA +HMDB10158 PIP3(18:1(9Z)/18:1(11Z)) C45H86O22P4 1102.456177 NA HMDB2010 NA NA +HMDB10159 PIP3(18:1(9Z)/18:1(9Z)) C45H86O22P4 1102.456177 NA HMDB2010 NA NA +7347 celiac sprue gluten epitope found in glutenin QQPIQQQPH 1102.536 antioxidative Inhouse_peptide NA peptide +C16374 (2E,6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahepta-2,6,9,12,15,18,21-enoyl- C45H68N7O17P3S 1103.3605 NA KEGG NA NA +7505 ACE inhibitor SKVYPFPGPI 1103.586 antioxidative Inhouse_peptide NA peptide +MetaCyc04387 3-(acyloxy)acyl group of bacterial toxin [] C60H114N1O14P1 1103.797694 NA metacyc NA NA +HMDB10152 PIP3(18:0/18:1(11Z)) C45H88O22P4 1104.471802 NA HMDB2010 NA NA +HMDB10153 PIP3(18:0/18:1(9Z)) C45H88O22P4 1104.471802 NA HMDB2010 NA NA +3559 heparin-binding peptide APRANVAWCT 1104.5009 ACE inhibitor Inhouse_peptide NA peptide +3576 heparin-binding peptide APAANVRWCT 1104.5009 ACE inhibitor Inhouse_peptide NA peptide +C08934 Camellidin II C53H84O24 1104.5353 NA KEGG NA NA +7309 celiac sprue gluten epitope from gamma-gliadin IFPQPQQTF 1104.545 antioxidative Inhouse_peptide NA peptide +C16168 (6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-CoA C45H70N7O17P3S 1105.3762 NA KEGG NA NA +C16387 (2E,6Z,9Z,12Z,15Z,18Z)-Tetracosahexa-2,6,9,12,15,18-enoyl-CoA C45H70N7O17P3S 1105.3762 NA KEGG NA NA +HMDB06243 tetracosahexaenoyl coenzyme A C45H70N7O17P3S 1105.37622 http://www.hmdb.ca/metabolites/HMDB06243 HMDB NA NA +HMDB06243 tetracosahexaenoyl coenzyme A C45H70N7O17P3S 1105.37622 HMDB06243 PFEM_hmdb_metabocards_official NA NA +HMDB06243 Tetracosahexaenoyl CoA C45H70N7O17P3S 1105.376221 NA HMDB2010 NA NA +C16167 (9Z,12Z,15Z,18Z,21Z)-Tetracosaheptaenoyl-CoA C45H72N7O17P3S 1107.3918 NA KEGG NA NA +C16172 (6Z,9Z,12Z,15Z,18Z)-Tetracosapentaenoyl-CoA C45H72N7O17P3S 1107.3918 NA KEGG NA NA +2745 activating kinases and phosphatases peptide EPFYQNVPD 1107.4728 antibacterial Inhouse_peptide NA peptide +3135 ester transferases inhibitor WRMWYVPA 1107.5194 celiac toxic Inhouse_peptide NA peptide +HMDB04882 Trihexosylceramide (d18:1/22:0) C58H109NO18 1107.764526 NA HMDB2010 NA NA +HMDB04882 Trihexosylceramide (d18:1/22:0) C58H109NO18 1107.76453 http://www.hmdb.ca/metabolites/HMDB04882 PFEM_hmdb_metabocards_urine NA urine +HMDB04882 Trihexosylceramide (d18:1/22:0) C58H109NO18 1107.76453 http://www.hmdb.ca/metabolites/HMDB04882 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04882 Trihexosylceramide (d18:1/22:0) C58H109NO18 1107.76453 http://www.hmdb.ca/metabolites/HMDB04882 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04882 Trihexosylceramide (d18:1/22:0) C58H109NO18 1107.76453 http://www.hmdb.ca/metabolites/HMDB04882 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04882 Trihexosylceramide (d18:1/22:0) C58H109NO18 1107.76453 http://www.hmdb.ca/metabolites/HMDB04882 HMDB NA NA +HMDB04882 Trihexosylceramide (d18:1/22:0) C58H109NO18 1107.76453 http://www.hmdb.ca/metabolites/HMDB04882 PFEM_hmdb_metabocards_blood NA blood +HMDB04882 Trihexosylceramide (d18:1/22:0) C58H109NO18 1107.76453 HMDB04882 PFEM_hmdb_metabocards_official NA NA +HMDB01543 Diguanosine hexaphosphate C20H31N10O30P7 1107.93701 http://www.hmdb.ca/metabolites/HMDB01543 HMDB NA NA +HMDB01543 Diguanosine hexaphosphate C20H31N10O30P7 1107.93701 HMDB01543 PFEM_hmdb_metabocards_official NA NA +HMDB01543 Diguanosine hexaphosphate C20H31N10O30P7 1107.937134 NA HMDB2010 NA NA +2744 activating kinases and phosphatases peptide EPFYENVPD 1108.4568 antibacterial Inhouse_peptide NA peptide +C06690 Candicidin D C59H84N2O18 1108.5719 NA KEGG NA NA +MetaCyc04388 dolichol [] C80H132O1 1109.027819 NA metacyc NA NA +FL7AAAGL0044 Pelargonidin 3-(6''-ferulyl-2'''-sinapylsambubioside)-5-glucoside C53H57O26 1109.3138 175738-02-0 knapsack NA NA +FL7AAAGL0055 Pelargonidin 3-O-[2-O-(6-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-ferulylglucosyl)-6-ferulylglucoside)-5-glucoside C53H57O26 1109.3138 185027-89-8 knapsack NA NA +FL7AAAGL0065 Pelargonidin 3-O-[2-O-(2-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(2-ferulylglucosyl)-6-ferulylglucoside)-5-glucoside C53H57O26 1109.3138 448963-09-5 knapsack NA NA +FL7AAIGL0036 Malvidin 3-O-[6-O-(4-O-(4-O-(6-O-(trans-caffeoyl)-beta-D-glucopyranosyl)-trans-p-coumaroyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside] C53H57O26 1109.3138 249514-65-6 knapsack NA NA +C05073 Coumermycin A1 C55H59N5O20 1109.3753 NA KEGG NA NA +C05075 GRI22222X C55H59N5O20 1109.3753 NA KEGG NA NA +HMDB06516 tetracosatetraenoyl coenzyme A C45H74N7O17P3S 1109.40747 http://www.hmdb.ca/metabolites/HMDB06516 HMDB NA NA +HMDB06516 tetracosatetraenoyl coenzyme A C45H74N7O17P3S 1109.40747 HMDB06516 PFEM_hmdb_metabocards_official NA NA +HMDB06516 Tetracosatetraenoyl CoA C45H74N7O17P3S 1109.407471 NA HMDB2010 NA NA +C16171 (9Z,12Z,15Z,18Z)-Tetracosatetraenoyl-CoA C45H74N7O17P3S 1109.4075 NA KEGG NA NA +7454 coeliac toxic peptide LQQVQQGPQQQPFPQPQPF 1109.5455 MH2+ Inhouse_peptide NA peptide +7708 pyrokinin TENMO-PK-3 HLSPFSPRLG 1109.584 antioxidative Inhouse_peptide NA peptide +7711 NA GWNNLHEGW~ 1110.4858 antioxidative Inhouse_peptide NA peptide +7804 ACE inhibitor from as2-casein ALNEINQFY 1110.5218 ACE inhibitor Inhouse_peptide NA peptide +3987 NA LGQQQPFPPQQPYPQPQPF 1110.537 MH2+ Inhouse_peptide NA peptide +2917 neuropeptide from eyestalk of Macrobrachium rosenb SDRNFLRFG 1110.5448 antibacterial Inhouse_peptide NA peptide +HMDB01036 Angiotensin III C52H78N12O15 1110.57092 http://www.hmdb.ca/metabolites/HMDB01036 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01036 Angiotensin III C52H78N12O15 1110.57092 http://www.hmdb.ca/metabolites/HMDB01036 HMDB NA NA +HMDB01036 Angiotensin III C52H78N12O15 1110.57092 http://www.hmdb.ca/metabolites/HMDB01036 PFEM_hmdb_metabocards_blood NA blood +HMDB01036 Angiotensin III C52H78N12O15 1110.57092 HMDB01036 PFEM_hmdb_metabocards_official NA NA +C16762 Ciguatoxin I C60H86O19 1110.5763 NA KEGG NA NA +C16791 Halichondrin B C60H86O19 1110.5763 NA KEGG NA NA +C06684 Valinomycin C54H90N6O18 1110.6312 NA KEGG NA NA +FL7AACGL0074 Cyanidin 3-(6''-caffeyl-6'''-ferulylsophoroside)-5-glucoside C52H55O27 1111.293 145815-06-1 knapsack NA NA +FL7AACGL0072 Cyanidin 3-[6''-(4-glucosylferulyl)-sophoroside]-5-glucoside C49H59O29 1111.3142 107500-83-4 knapsack NA NA +FL7AADGL0024 Peonidin 3-[6''-(4-glucosylcaffeyl)sophoroside]-5-glucoside C49H59O29 1111.3142 135618-32-5 knapsack NA NA +3123 a1-chain of collagen fr,:431-438 PAGKNGETGPQG 1111.5089 celiac toxic Inhouse_peptide NA peptide +C16847 Didemnin B C57H89N7O15 1111.6417 NA KEGG NA NA +3684 NA KKFHIRKR 1111.694 ACE inhibitor Inhouse_peptide NA peptide +C15763 SW 163C C52H60N10O14S2 1112.3732 NA KEGG NA NA +2735 regulating the frequency of heart muscles contraction peptide IWGCSGKLIC 1112.499 antibacterial Inhouse_peptide NA peptide +7403 celiac sprue gluten epitope found in secalin PYPQQPQQQ 1112.509 antioxidative Inhouse_peptide NA peptide +7371 celiac sprue gluten epitope found in hordein PQQLPQQQF 1112.546 antioxidative Inhouse_peptide NA peptide +7378 celiac sprue gluten epitope found in hordein QLPQQQFPQ 1112.546 antioxidative Inhouse_peptide NA peptide +7404 celiac sprue gluten epitope found in secalin QFPQQPQQI 1112.546 antioxidative Inhouse_peptide NA peptide +C08641 Gentiodelphin C51H53O28 1113.2723 NA KEGG NA NA +FL7AAGGL0001 Gentiodelphin;Delphinidin 3-glucoside-5,3'-di-(6-caffeoylglucoside) C51H53O28 1113.2723 84331-34-0 knapsack NA NA +3124 a1-chain of collagen fr,:430-438 GPAGKDGEAGAQG 1113.4889 celiac toxic Inhouse_peptide NA peptide +2844 orphanin FQ/nociceptin analog [FQ/N (1-11)] YGGFTGARKSA 1113.542 antibacterial Inhouse_peptide NA peptide +C16532 Tetracosenoyl-CoA C45H80N7O17P3S 1115.4544 NA KEGG NA NA +7311 celiac sprue gluten epitope from gamma-gliadin PFPQPQQQF 1115.524 antioxidative Inhouse_peptide NA peptide +7377 celiac sprue gluten epitope found in hordein QFPQPQQPF 1115.524 antioxidative Inhouse_peptide NA peptide +7380 celiac sprue gluten epitope found in hordein QQPFPQQPF 1115.524 antioxidative Inhouse_peptide NA peptide +7516 ACE inhibitor from myosin light chain RMLGQTPWK 1115.5764 antioxidative Inhouse_peptide NA peptide +HMDB12257 Mannosyl-inositol-phosphorylceramide C56H110NO18P 1115.746094 NA HMDB2010 NA NA +7370 celiac sprue gluten epitope found in hordein PQPYPQQPY 1116.508 antioxidative Inhouse_peptide NA peptide +7375 celiac sprue gluten epitope found in hordein PYPQQPQPY 1116.508 antioxidative Inhouse_peptide NA peptide +HMDB06526 tetracosanoyl-CoA (n-C24:0CoA) C45H82N7O17P3S 1117.47009 http://www.hmdb.ca/metabolites/HMDB06526 HMDB NA NA +HMDB06526 tetracosanoyl-CoA (n-C24:0CoA) C45H82N7O17P3S 1117.47009 HMDB06526 PFEM_hmdb_metabocards_official NA NA +HMDB06526 Tetracosanoyl-CoA C45H82N7O17P3S 1117.470093 NA HMDB2010 NA NA +C16529 Tetracosanoyl-CoA C45H82N7O17P3S 1117.4701 NA KEGG NA NA +46 Hemoglobin VLSAADKGNVKAAWGKVGGHAAE 1117.5915 MH2+ Inhouse_peptide NA peptide +7714 NA AWQSLQSGWG 1118.501 antioxidative Inhouse_peptide NA peptide +C16376 (6Z,9Z,12Z,15Z,18Z,21Z)-3-Oxotetracosahexa-6,9,12,15,18,21-enoyl-CoA C45H68N7O18P3S 1119.3554 NA KEGG NA NA +C10235 Mallotusinic acid C48H32O32 1120.0877 NA KEGG NA NA +HMDB04892 Ganglioside GA2 (d18:1/20:0) C58H108N2O18 1120.759766 NA HMDB2010 NA NA +HMDB04892 Ganglioside GA2 (d18:1/20:0) C58H108N2O18 1120.75977 http://www.hmdb.ca/metabolites/HMDB04892 HMDB NA NA +HMDB04892 Ganglioside GA2 (d18:1/20:0) C58H108N2O18 1120.75977 HMDB04892 PFEM_hmdb_metabocards_official NA NA +C16375 (6Z,9Z,12Z,15Z,18Z,21Z)-3-Hydroxytetracosahexa-6,9,12,15,18,21- C45H70N7O18P3S 1121.3711 NA KEGG NA NA +C16389 (6Z,9Z,12Z,15Z,18Z)-3-Oxotetracosapenta-6,9,12,15,18-enoyl-CoA C45H70N7O18P3S 1121.3711 NA KEGG NA NA +3982 fragment 222-230 of bovine lactoferrin ADRDQYELL 1121.5228 ACE inhibitor Inhouse_peptide NA peptide +7344 celiac sprue gluten epitope found in glutenin PIQQQPHQF 1121.546 antioxidative Inhouse_peptide NA peptide +C04804 UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6- C38H60N8O27P2 1122.3043 NA KEGG NA NA +MetaCyc04389 UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate-D-alanine [UDP-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-meso-2,6-diaminopimelate-D-alanine;UDP-MurNAc-tetrapeptide;uridine 5'-pyrophosphoryl N-acetylmuramyl-tetrapeptide;] C38H60N8O27P2 1122.304312 NA metacyc NA NA +C13842 alpha-Semegma mycolic acid C77H150O3 1123.1585 NA KEGG NA NA +C16388 (6Z,9Z,12Z,15Z,18Z)-3-Hydroxytetracosapenta-6,9,12,15,18-enoyl-CoA C45H72N7O18P3S 1123.3867 NA KEGG NA NA +7374 celiac sprue gluten epitope found in hordein PWPQQPFPQ 1123.529 antioxidative Inhouse_peptide NA peptide +7394 celiac sprue gluten epitope found in hordein* PQPQQPFPW 1123.529 antioxidative Inhouse_peptide NA peptide +2916 neuropeptide from eyestalk of Macrobrachium rosenb TNRNFLRFG 1123.5758 antibacterial Inhouse_peptide NA peptide +3118 adrenocoritcotropin hormone fr,:4-10 YMEHFRWG 1124.4724 celiac toxic Inhouse_peptide NA peptide +7341 celiac sprue gluten epitope from gamma-gliadin QRPQQPFPQ 1124.557 antioxidative Inhouse_peptide NA peptide +7389 celiac sprue gluten epitope found in hordein QQPQQPFPR 1124.557 antioxidative Inhouse_peptide NA peptide +7407 celiac sprue gluten epitope found in secalin QQPFPQRPQ 1124.557 antioxidative Inhouse_peptide NA peptide +HMDB11928 Ganglioside GM3 (d18:1/14:0) C55H100N2O21 1124.681885 NA HMDB2010 NA NA +FL7AACGL0061 Cyanidin 3-(6''-ferulyl-2'''-sinapylsambubioside)-5-glucoside C53H57O27 1125.3087 163812-24-6 knapsack NA NA +FL7AACGL0075 Cyanidin 3-(6''-p-coumaryl-2''-sinapylsophoroside)-5-glucoside C53H57O27 1125.3087 117894-45-8<BR>119722-79-1<BR>110219-77-7 knapsack NA NA +7449 coeliac toxic peptide FPQHCNYQQQPQTFPQPF 1125.48545 MH2+ Inhouse_peptide NA peptide +3571 NA SGIQSEPKAIP 1125.588 ACE inhibitor Inhouse_peptide NA peptide +C15764 UK 63598 C53H62N10O14S2 1126.3888 NA KEGG NA NA +HMDB10156 PIP3(18:1(11Z)/20:3(5Z,8Z,11Z)) C47H86O22P4 1126.456177 NA HMDB2010 NA NA +HMDB10157 PIP3(18:1(11Z)/20:3(8Z,11Z,14Z)) C47H86O22P4 1126.456177 NA HMDB2010 NA NA +HMDB10160 PIP3(18:1(9Z)/20:3(5Z,8Z,11Z)) C47H86O22P4 1126.456177 NA HMDB2010 NA NA +HMDB10161 PIP3(18:1(9Z)/20:3(8Z,11Z,14Z)) C47H86O22P4 1126.456177 NA HMDB2010 NA NA +3241 bombinin-like peptide BLP-2 GIGSAILSAGKSALKGGLAGHFANG 1126.6024 MH2+ Inhouse_peptide NA peptide +HMDB11914 Ganglioside GM3 (d18:0/14:0) C55H102N2O21 1126.69751 NA HMDB2010 NA NA +7336 celiac sprue gluten epitope from gamma-gliadin QQPQQQFPQ 1127.52 antioxidative Inhouse_peptide NA peptide +7337 celiac sprue gluten epitope from gamma-gliadin QQQQFPQPQ 1127.52 antioxidative Inhouse_peptide NA peptide +7410 celiac sprue gluten epitope found in secalin QQQFPQQPQ 1127.52 antioxidative Inhouse_peptide NA peptide +7458 coeliac toxic peptide QSNLPQPAQQPFQPQVPQQP 1128.05395 MH2+ Inhouse_peptide NA peptide +HMDB10162 PIP3(18:2(9Z,12Z)/20:1(11Z)) C47H88O22P4 1128.471802 NA HMDB2010 NA NA +2741 regulating the frequency of heart muscles contraction peptide KLDAPTNKWG 1128.5778 antibacterial Inhouse_peptide NA peptide +C01289 N-Acetyl-D-glucosaminyldiphosphoundecaprenol C63H105NO12P2 1129.7112 NA KEGG NA NA +C01290 beta-D-Galactosyl-1,4-beta-D-glucosylceramide C31H56NO13R 1129.7112 NA KEGG NA NA +MetaCyc04390 undecaprenyl-N-acetyl-α-D-glucosaminyl-pyrophosphate [Undecaprenyl diphospho N-acetyl-glucosamine;N-acetyl-glucosaminyl-pyrophosphorylundecaprenol;GlcNAc-pyrophosphorylundecaprenol;GlcNAc-PP-lipid;C55-PP-GlcNAc;lipid I;undecaprenyl-N-acetyl-D-glucosaminyl-pyrophosphate;] C63H105N1O12P2 1129.711201 NA metacyc NA NA +MetaCyc04391 prenyl-P-P-GlcNAc [N-acetyl-D-glucosaminyldiphosphoundecaprenol;N-[4,5-dihydroxy-2-[hydroxy-(hydroxy-(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphinoyl)oxy-phosphinoyl]oxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide;N-acetyl-D-glucosaminyldiphospho-undecaprenol;] C63H105N1O12P2 1129.711201 NA metacyc NA NA +C17025 Holothurin C50H82O26S 1130.4815 NA KEGG NA NA +C17027 L-Pyrrolysyl-tRNA(Pyl) C22H36N3O12PR2 1130.4815 NA KEGG NA NA +7372 celiac sprue gluten epitope found in hordein PQQQFPQQM 1130.5024 antioxidative Inhouse_peptide NA peptide +C08921 Aescin C55H86O24 1130.5509 NA KEGG NA NA +7383 celiac sprue gluten epitope found in hordein QQPFPQQPY 1131.519 antioxidative Inhouse_peptide NA peptide +7409 celiac sprue gluten epitope found in secalin QQPYPQQPF 1131.519 antioxidative Inhouse_peptide NA peptide +C16097 Neurokinin A C50H80N14O14S 1132.5699 NA KEGG NA NA +7391 celiac sprue gluten epitope found in hordein QQQQLPQQH 1133.542 antioxidative Inhouse_peptide NA peptide +HMDB04883 Trihexosylceramide (d18:1/24:1(15Z)) C60H111NO18 1133.78015 http://www.hmdb.ca/metabolites/HMDB04883 PFEM_hmdb_metabocards_urine NA urine +HMDB04883 Trihexosylceramide (d18:1/24:1(15Z)) C60H111NO18 1133.78015 http://www.hmdb.ca/metabolites/HMDB04883 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04883 Trihexosylceramide (d18:1/24:1(15Z)) C60H111NO18 1133.78015 http://www.hmdb.ca/metabolites/HMDB04883 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04883 Trihexosylceramide (d18:1/24:1(15Z)) C60H111NO18 1133.78015 http://www.hmdb.ca/metabolites/HMDB04883 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04883 Trihexosylceramide (d18:1/24:1(15Z)) C60H111NO18 1133.78015 http://www.hmdb.ca/metabolites/HMDB04883 HMDB NA NA +HMDB04883 Trihexosylceramide (d18:1/24:1(15Z)) C60H111NO18 1133.78015 http://www.hmdb.ca/metabolites/HMDB04883 PFEM_hmdb_metabocards_blood NA blood +HMDB04883 Trihexosylceramide (d18:1/24:1(15Z)) C60H111NO18 1133.78015 HMDB04883 PFEM_hmdb_metabocards_official NA NA +HMDB04883 Trihexosylceramide (d18:1/24:1(15Z)) C60H111NO18 1133.780151 NA HMDB2010 NA NA +MetaCyc04392 β-cyclodextrin [cycloheptaamylose;cycloheptaglucan;cycloheptaglucosan;cyclomaltoheptaose;kleptose;kleptose B;rhodocap N;ringdex B;ringdex BL;cycloheptapentylose;betadex;] C42H70O35 1134.369764 7585-39-9 metacyc NA NA +C13183 Betadex C42H70O35 1134.3698 NA KEGG NA NA +C13184 Transferred to D01719 C42H70O35 1134.3698 NA KEGG NA NA +C13185 Transferred to D01720 C42H70O35 1134.3698 NA KEGG NA NA +C13186 Transferred to D01721 C42H70O35 1134.3698 NA KEGG NA NA +C13187 Transferred to D01722 C42H70O35 1134.3698 NA KEGG NA NA +C13188 Transferred to D02402 C42H70O35 1134.3698 NA KEGG NA NA +7048 Golden oyster mushroom, antiviral protein Y3 VYINKLTPPCGTMYYACEAV 1134.50265 MH2+ Inhouse_peptide NA peptide +C13907 OM-174 C52H100N2O20P2 1134.6345 NA KEGG NA NA +MetaCyc04393 3-oxo-Δ4,6-cholyl-CoA [] C45H68N7O19P3S1 1135.350353 NA metacyc NA NA +7699 ACE inhibitor from yeast GADPH KKIATYQER 1135.62 antioxidative Inhouse_peptide NA peptide +HMDB04886 Trihexosylceramide (d18:1/24:0) C60H113NO18 1135.795776 NA HMDB2010 NA NA +HMDB04886 Trihexosylceramide (d18:1/24:0) C60H113NO18 1135.79578 http://www.hmdb.ca/metabolites/HMDB04886 PFEM_hmdb_metabocards_urine NA urine +HMDB04886 Trihexosylceramide (d18:1/24:0) C60H113NO18 1135.79578 http://www.hmdb.ca/metabolites/HMDB04886 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04886 Trihexosylceramide (d18:1/24:0) C60H113NO18 1135.79578 http://www.hmdb.ca/metabolites/HMDB04886 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04886 Trihexosylceramide (d18:1/24:0) C60H113NO18 1135.79578 http://www.hmdb.ca/metabolites/HMDB04886 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04886 Trihexosylceramide (d18:1/24:0) C60H113NO18 1135.79578 http://www.hmdb.ca/metabolites/HMDB04886 HMDB NA NA +HMDB04886 Trihexosylceramide (d18:1/24:0) C60H113NO18 1135.79578 http://www.hmdb.ca/metabolites/HMDB04886 PFEM_hmdb_metabocards_blood NA blood +HMDB04886 Trihexosylceramide (d18:1/24:0) C60H113NO18 1135.79578 HMDB04886 PFEM_hmdb_metabocards_official NA NA +7345 celiac sprue gluten epitope found in glutenin PQQHQQFPQ 1136.52 antioxidative Inhouse_peptide NA peptide +7387 celiac sprue gluten epitope found in hordein QQPQHQFPQ 1136.52 antioxidative Inhouse_peptide NA peptide +5380 Brevinin-1EB VIPFVASVAAEMQHVYCAASRKC 1136.5907 MH2+ Inhouse_peptide NA peptide +FL7AACGL0089 Cyanidin 3-O-[2''-O-(xylosyl) 6''-O-(p-O-(glucosyl) p-coumaroyl) glucoside] 5-O-[6'''-O-(malonyl) glucoside] C50H57O30 1137.2934 - knapsack NA NA +MetaCyc04394 3-oxo-Δ4-deoxycholyl-CoA [] C45H70N7O19P3S1 1137.366003 NA metacyc NA NA +7408 celiac sprue gluten epitope found in secalin QQPQRPEQQ 1137.537 antioxidative Inhouse_peptide NA peptide +3652 NA KKWHKRKK 1137.708 ACE inhibitor Inhouse_peptide NA peptide +7704 pyrokinin TENMO-PK-1 HVVNFTPRLG 1138.6099 antioxidative Inhouse_peptide NA peptide +MetaCyc04395 3-oxo-deoxycholyl-CoA [] C45H72N7O19P3S1 1139.381653 NA metacyc NA NA +7483 ACE inhibitor (fr, of as1-casein, 1-9) RPKHPIKHQ 1139.651 antioxidative Inhouse_peptide NA peptide +3485 ACE inhibitors derived from yeast GADPH PANLPWGSSNV 1140.5428 ACE inhibitor Inhouse_peptide NA peptide +C11218 Gramicidin S C60H92N12O10 1140.7059 NA KEGG NA NA +C12052 Thiocillin C49H51N13O8S6 1141.2308 NA KEGG NA NA +FL7AAGGL0066 Delphinidin 3-(diferuloyl)sophoroside-5-glucoside C53H57O28 1141.3036 379232-06-1 knapsack NA NA +C05337 Chenodeoxycholoyl-CoA C45H74N7O19P3S 1141.3973 NA KEGG NA NA +C15560 Deoxycholoyl-CoA C45H74N7O19P3S 1141.3973 NA KEGG NA NA +C17689 Ursodeoxycholoyl-CoA C45H74N7O19P3S 1141.3973 NA KEGG NA NA +MetaCyc04396 deoxycholyl-CoA [deoxycholoyl-CoA;] C45H74N7O19P3S1 1141.397303 NA metacyc NA NA +HMDB06292 Chenodeoxycholoyl-CoA C45H74N7O19P3S 1141.397339 NA HMDB2010 NA NA +HMDB06897 Chenodeoxyglycocholoyl-CoA C45H74N7O19P3S 1141.397339 NA HMDB2010 NA NA +HMDB06292 Chenodeoxycholoyl-CoA C45H74N7O19P3S 1141.39734 http://www.hmdb.ca/metabolites/HMDB06292 HMDB NA NA +HMDB06897 Chenodeoxyglycocholoyl-CoA C45H74N7O19P3S 1141.39734 http://www.hmdb.ca/metabolites/HMDB06897 HMDB NA NA +HMDB06292 Chenodeoxycholoyl-CoA C45H74N7O19P3S 1141.39734 HMDB06292 PFEM_hmdb_metabocards_official NA NA +HMDB06897 Chenodeoxyglycocholoyl-CoA C45H74N7O19P3S 1141.39734 HMDB06897 PFEM_hmdb_metabocards_official NA NA +HMDB06459 Hexacosanoyl-CoA C47H82N7O17P3S 1141.47009 http://www.hmdb.ca/metabolites/HMDB06459 HMDB NA NA +HMDB06459 Hexacosanoyl-CoA C47H82N7O17P3S 1141.47009 HMDB06459 PFEM_hmdb_metabocards_official NA NA +HMDB06459 Hexacosanoyl-CoA C47H82N7O17P3S 1141.470093 NA HMDB2010 NA NA +C12051 Micrococcin C48H49N13O9S6 1143.21 NA KEGG NA NA +3078 hemorphin-8 YPWTQRFF 1143.536 celiac toxic Inhouse_peptide NA peptide +HMDB06605 Sialyl Lea penta C43H72N2O33 1144.40173 http://www.hmdb.ca/metabolites/HMDB06605 HMDB NA NA +HMDB06614 Sialyl Lex penta C43H72N2O33 1144.40173 http://www.hmdb.ca/metabolites/HMDB06614 HMDB NA NA +HMDB06605 Sialyl Lea penta C43H72N2O33 1144.40173 HMDB06605 PFEM_hmdb_metabocards_official NA NA +HMDB06614 Sialyl Lex penta C43H72N2O33 1144.40173 HMDB06614 PFEM_hmdb_metabocards_official NA NA +HMDB06605 Sialyl Lewis<sup>a</sup> penta C43H72N2O33 1144.401733 NA HMDB2010 NA NA +HMDB06614 Sialyl Lex penta C43H72N2O33 1144.401733 NA HMDB2010 NA NA +7716 NA NWGQFHGGWG 1144.4689 antioxidative Inhouse_peptide NA peptide +7340 celiac sprue gluten epitope from gamma-gliadin QQTYPQRPQ 1144.547 antioxidative Inhouse_peptide NA peptide +7056 Cecropin A-magainin 2 hybrid KWKLFKKISKFLHLAKKF 1144.702 MH2+ Inhouse_peptide NA peptide +C15744 Aeruginopeptin 95A C56H75N9O17 1145.5281 NA KEGG NA NA +3586 heparin-binding peptide WQARMKKAGA 1145.5984 ACE inhibitor Inhouse_peptide NA peptide +3247 bombinin from B, Variegata GIGALSAKGALKGLAKGLAEHFAN~ 1146.1439 MH2+ Inhouse_peptide NA peptide +8156 ACE inhibitor from b-CN (180-197) YPQRDMPIQ 1146.5353 antibacterial Inhouse_peptide NA peptide +C08933 Camellidin I C55H86O25 1146.5458 NA KEGG NA NA +3057 NA YGKVLKKRR 1146.72 celiac toxic Inhouse_peptide NA peptide +7353 celiac sprue gluten epitope found in omega-gliadin QQPYPQQPY 1147.514 antioxidative Inhouse_peptide NA peptide +3708 NA RNKPFKFVL 1147.6719 ACE inhibitor Inhouse_peptide NA peptide +HMDB04893 Ganglioside GA2 (d18:1/22:0) C60H112N2O18 1148.791016 NA HMDB2010 NA NA +HMDB04893 Ganglioside GA2 (d18:1/22:0) C60H112N2O18 1148.79102 http://www.hmdb.ca/metabolites/HMDB04893 HMDB NA NA +HMDB04893 Ganglioside GA2 (d18:1/22:0) C60H112N2O18 1148.79102 HMDB04893 PFEM_hmdb_metabocards_official NA NA +MetaCyc04397 UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine [UDP-Mur2Ac(oyl-L-Ala-g-D-Glu-L-Lys-D-Ala-D-Ala);] C40H65N9O26P2 1149.351596 NA metacyc NA NA +C04702 UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala) C40H65N9O26P2 1149.3516 NA KEGG NA NA +C15745 Aeruginopeptin 95B C56H79N9O17 1149.5594 NA KEGG NA NA +7055 P-18 KWKLFKKIPKFLHLAKKF 1149.712 MH2+ Inhouse_peptide NA peptide +HMDB04887 Trihexosylceramide (d18:1/25:0) C61H115NO18 1149.8114 http://www.hmdb.ca/metabolites/HMDB04887 PFEM_hmdb_metabocards_urine NA urine +HMDB04887 Trihexosylceramide (d18:1/25:0) C61H115NO18 1149.8114 http://www.hmdb.ca/metabolites/HMDB04887 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04887 Trihexosylceramide (d18:1/25:0) C61H115NO18 1149.8114 http://www.hmdb.ca/metabolites/HMDB04887 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04887 Trihexosylceramide (d18:1/25:0) C61H115NO18 1149.8114 http://www.hmdb.ca/metabolites/HMDB04887 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04887 Trihexosylceramide (d18:1/25:0) C61H115NO18 1149.8114 http://www.hmdb.ca/metabolites/HMDB04887 HMDB NA NA +HMDB04887 Trihexosylceramide (d18:1/25:0) C61H115NO18 1149.8114 http://www.hmdb.ca/metabolites/HMDB04887 PFEM_hmdb_metabocards_blood NA blood +HMDB04887 Trihexosylceramide (d18:1/25:0) C61H115NO18 1149.8114 HMDB04887 PFEM_hmdb_metabocards_official NA NA +HMDB04887 Trihexosylceramide (d18:1/25:0) C61H115NO18 1149.811401 NA HMDB2010 NA NA +3807 peptide from soybean b-conglycinin (Glycine max) LLPHHADADY 1150.5268 ACE inhibitor Inhouse_peptide NA peptide +2619 synthetic fr,of human beta-CN (92-101) ACE inhibitor TVYTKGRVMP 1150.6014 NA Inhouse_peptide NA peptide +3669 NA KKWHLRKR 1150.705 ACE inhibitor Inhouse_peptide NA peptide +HMDB01019 Cardiolipin C58H120O17P2 1150.80005 http://www.hmdb.ca/metabolites/HMDB01019 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01019 Cardiolipin C58H120O17P2 1150.80005 http://www.hmdb.ca/metabolites/HMDB01019 HMDB NA NA +HMDB01019 Cardiolipin C58H120O17P2 1150.80005 http://www.hmdb.ca/metabolites/HMDB01019 PFEM_hmdb_metabocards_blood NA blood +HMDB01019 Cardiolipin C58H120O17P2 1150.80005 HMDB01019 PFEM_hmdb_metabocards_official NA NA +FL7AACGL0076 Cyanidin 3-(6'',6'''-di-p-coumarylsophoroside)-5-(6-malonylglucoside) C54H55O28 1151.2879 176260-03-0 knapsack NA NA +7373 celiac sprue gluten epitope found in hordein PRPQQPFPW 1151.572 antioxidative Inhouse_peptide NA peptide +C17629 Cinnamtannin B2 C60H48O24 1152.2536 NA KEGG NA NA +C17633 Cinnamtannin D2 C60H48O24 1152.2536 NA KEGG NA NA +C06216 Celloheptaose C42H72O36 1152.3803 NA KEGG NA NA +3336 human beta-casein fr, 52-61 FAQTQSLVYP 1152.567 celiac toxic Inhouse_peptide NA peptide +7664 ACE inhibitor YAEERYPIL 1152.568 antioxidative Inhouse_peptide NA peptide +HMDB04844 Ganglioside GM3 (d18:1/16:0) C57H104N2O21 1152.71313 http://www.hmdb.ca/metabolites/HMDB04844 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04844 Ganglioside GM3 (d18:1/16:0) C57H104N2O21 1152.71313 http://www.hmdb.ca/metabolites/HMDB04844 HMDB NA NA +HMDB04844 Ganglioside GM3 (d18:1/16:0) C57H104N2O21 1152.71313 http://www.hmdb.ca/metabolites/HMDB04844 PFEM_hmdb_metabocards_blood NA blood +HMDB04844 Ganglioside GM3 (d18:1/16:0) C57H104N2O21 1152.71313 HMDB04844 PFEM_hmdb_metabocards_official NA NA +HMDB04844 Ganglioside GM3 (d18:1/16:0) C57H104N2O21 1152.713135 NA HMDB2010 NA NA +3754 NA KLKLLLKLKG 1152.817 ACE inhibitor Inhouse_peptide NA peptide +MetaCyc04398 3-oxo-Δ4-cholyl-CoA [7α,12α-dihydroxy-3-oxo-4-cholenoic acid;] C45H70N7O20P3S1 1153.360918 NA metacyc NA NA +5447 cearidin 1,4 GLLDGLLGGLGLG 1153.6569 ACE inhibitor Inhouse_peptide NA peptide +C17625 Cinnamtannin A2 C60H50O24 1154.2692 NA KEGG NA NA +HMDB11915 Ganglioside GM3 (d18:0/16:0) C57H106N2O21 1154.72876 NA HMDB2010 NA NA +FL7AACGL0077 Cyanidin 3-(6''-ferulyl-2'''-sinapylsophoroside)-5-glucoside C54H59O28 1155.3192 117894-46-9<BR>124088-76-2<BR>110202-92-1 knapsack NA NA +MetaCyc04399 3-oxo-cholyl-CoA [3-oxo-choloyl-CoA;7-α,12-α-dihydroxy-3-oxo-4-cholenyl-CoA;] C45H72N7O20P3S1 1155.376568 NA metacyc NA NA +3252 beta-casokinin-10 YQQPVLGPVR 1155.625 celiac toxic Inhouse_peptide NA peptide +3369 b-casokinin-10 (193-202) YQQPVLGPVR 1155.625 celiac toxic Inhouse_peptide NA peptide +HMDB01444 Adenosine octaphosphate C20H32N10O31P8 1155.91357 http://www.hmdb.ca/metabolites/HMDB01444 HMDB NA NA +HMDB01444 Adenosine octaphosphate C20H32N10O31P8 1155.91357 HMDB01444 PFEM_hmdb_metabocards_official NA NA +HMDB01444 Adenosine octaphosphate C20H32N10O31P8 1155.913574 NA HMDB2010 NA NA +2823 PEP inhibitor RYDWWPYGNLFGGHTFISP 1156.03135 MH2+ Inhouse_peptide NA peptide +C15727 Thiocoraline C48H56N10O12S6 1156.2403 NA KEGG NA NA +2751 activating kinases and phosphatases peptide EPFYENDPF 1156.4568 antibacterial Inhouse_peptide NA peptide +7412 celiac sprue gluten epitope found in secalin QRPEQQFPQ 1156.547 antioxidative Inhouse_peptide NA peptide +5439 chromacin (from chromogranin A) YPGPQAKEDSEGPSQGPASREK 1157.031 MH2+ Inhouse_peptide NA peptide +C01794 Choloyl-CoA C45H74N7O20P3S 1157.3922 NA KEGG NA NA +HMDB01374 Choloyl-CoA C45H74N7O20P3S 1157.39221 http://www.hmdb.ca/metabolites/HMDB01374 HMDB NA NA +HMDB01374 Choloyl-CoA C45H74N7O20P3S 1157.39221 HMDB01374 PFEM_hmdb_metabocards_official NA NA +HMDB01374 Choloyl-CoA C45H74N7O20P3S 1157.392212 NA HMDB2010 NA NA +MetaCyc04400 cholyl-CoA [Choloyl-CoA;7-α, 12-α-dihydroxy-3-oxo-5-β-cholyl-Coa;] C45H74N7O20P3S1 1157.392218 NA metacyc NA NA +5531 hevein CPNNLCCSQWGWCG 1157.5118 antioxidative Inhouse_peptide NA peptide +2892 neuropeptide from eyestalk of Macrobrachium rosenb GYNRSFLRF~ 1157.5969 antibacterial Inhouse_peptide NA peptide +8316 Anticancer peptide ENLHLPLPLL 1157.6669 NA ;SYN:(2S)-2-Amino-4-methylpentanoate; (2S)-2-Amino-4-methylpentanoic acid; (S)-(+)-Leucine; (S)-2-Amino-4-methylpentanoate; (S)-2-Amino-4-methylpentanoic acid; (S)-2-Amino-4-methylvalerate; (S)-2-Amino-4-methylvaleric acid; (S)-Leucine; 4-methyl-L-Norvaline; L-(+)-Leucine; L-a-Aminoisocaproate; L-a-Aminoisocaproic acid; Leu; L-alpha-Aminoisocaproate; L-alpha-Aminoisocaproic acid; LeucineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +7057 L9-P18, cecropin A-magainin 2 hybrid KWKLFKKILKFLHLAKKF 1157.728 MH2+ Inhouse_peptide NA peptide +7338 celiac sprue gluten epitope from gamma-gliadin QQQQQQFPQ 1158.526 antioxidative Inhouse_peptide NA peptide +2862 NA LVVYPWTQR 1160.62 antibacterial Inhouse_peptide NA peptide +3402 ACE inhibitor LVVYPWTQR 1160.62 ACE inhibitor Inhouse_peptide NA peptide +3605 heparin-binding peptide APRKNVAWCT 1161.5579 ACE inhibitor Inhouse_peptide NA peptide +3226 bradykinin derivative KRPAGFSPFR 1161.626 celiac toxic Inhouse_peptide NA peptide +5398 brevinin-1 FLPVLAGIAAKVVPALFCKITKKC 1161.72805 MH2+ Inhouse_peptide NA peptide +5431 So-D6 (defensin) GIFSNMYXRTPAGYFRGPXGGYXXN 1162.03115 MH2+ Inhouse_peptide NA peptide +HMDB04884 Trihexosylceramide (d18:1/26:1(17Z)) C62H117NO18 1163.827026 NA HMDB2010 NA NA +HMDB04884 Trihexosylceramide (d18:1/26:1(17Z)) C62H117NO18 1163.82703 http://www.hmdb.ca/metabolites/HMDB04884 PFEM_hmdb_metabocards_urine NA urine +HMDB04884 Trihexosylceramide (d18:1/26:1(17Z)) C62H117NO18 1163.82703 http://www.hmdb.ca/metabolites/HMDB04884 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04884 Trihexosylceramide (d18:1/26:1(17Z)) C62H117NO18 1163.82703 http://www.hmdb.ca/metabolites/HMDB04884 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB04884 Trihexosylceramide (d18:1/26:1(17Z)) C62H117NO18 1163.82703 http://www.hmdb.ca/metabolites/HMDB04884 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB04884 Trihexosylceramide (d18:1/26:1(17Z)) C62H117NO18 1163.82703 http://www.hmdb.ca/metabolites/HMDB04884 HMDB NA NA +HMDB04884 Trihexosylceramide (d18:1/26:1(17Z)) C62H117NO18 1163.82703 http://www.hmdb.ca/metabolites/HMDB04884 PFEM_hmdb_metabocards_blood NA blood +HMDB04884 Trihexosylceramide (d18:1/26:1(17Z)) C62H117NO18 1163.82703 HMDB04884 PFEM_hmdb_metabocards_official NA NA +HMDB04843 Ganglioside GM3 ((d18:1/9Z-18:1) C58H104N2O21 1164.71313 http://www.hmdb.ca/metabolites/HMDB04843 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04843 Ganglioside GM3 ((d18:1/9Z-18:1) C58H104N2O21 1164.71313 http://www.hmdb.ca/metabolites/HMDB04843 HMDB NA NA +HMDB04843 Ganglioside GM3 ((d18:1/9Z-18:1) C58H104N2O21 1164.71313 http://www.hmdb.ca/metabolites/HMDB04843 PFEM_hmdb_metabocards_blood NA blood +HMDB04843 Ganglioside GM3 ((d18:1/9Z-18:1) C58H104N2O21 1164.71313 HMDB04843 PFEM_hmdb_metabocards_official NA NA +HMDB04843 Ganglioside GM3 (d18:1/9Z-18:1) C58H104N2O21 1164.713135 NA HMDB2010 NA NA +3030 calmodulin-binding peptide AMKPWIQPKTKVIPYVRYL 1165.1572 MH2+ Inhouse_peptide NA peptide +FL7AAAGL0045 Pelargonidin 3-(6''-p-coumaryl-2'''-sinapyl-sambubioside)-5-(6-malonylglucoside) C55H57O28 1165.3036 175737-99-2 knapsack NA NA +FL7AAAGL0046 Pelargonidin 3-(6'',2'''-diferulylsambubioside)-5-(6-malonylglucoside) C55H57O28 1165.3036 175737-97-0 knapsack NA NA +2742 activating kinases and phosphatases peptide EPFYVNWPD 1165.4938 antibacterial Inhouse_peptide NA peptide +3603 heparin-binding peptide PSITCVRRAF 1165.59 ACE inhibitor Inhouse_peptide NA peptide +3696 NA KKWHRRKK 1165.715 ACE inhibitor Inhouse_peptide NA peptide +MetaCyc04401 test [] C83H138S1 1167.051925 NA metacyc NA NA +FL7AAAGL0054 Pelargonidin 3-O-(6-O-malonyl-beta-D-glucopyranoside)-7-O-(6-O-(4-O-(trans-caffeyl)-beta-D-glucopyranosyl)-trans-caffeyl)-beta-D-glucopyranoside) C54H55O29 1167.2829 165070-66-6 knapsack NA NA +FL7AAGGL0027 Delphinidin 3-(6'',6'''-di-p-coumarylsophoroside)-5-(6-malonylglucoside) C54H55O29 1167.2829 176260-02-9 knapsack NA NA +FL7AAGGL0052 Delphinidin 3-(6-malonylglucoside)-3',5'-di-(6-p-coumaroylglucoside);Ternatin D3 C54H55O29 1167.2829 215378-79-3 knapsack NA NA +7318 celiac sprue gluten epitope from gamma-gliadin PHQQQQQQF 1167.526 antioxidative Inhouse_peptide NA peptide +7405 celiac sprue gluten epitope found in secalin QHQQFPQQQ 1167.526 antioxidative Inhouse_peptide NA peptide +7038 synthetic peptide from alpha-gliadin AMCNVYIPPYCT 1167.5493 antioxidative Inhouse_peptide NA peptide +7712 NA GWNNLHEGWG 1168.4908 antioxidative Inhouse_peptide NA peptide +2677 NA GGCRIGPITWVCGG 1168.62 antibacterial Inhouse_peptide NA peptide +5518 Pyrrhocoricin VDKGSYLPRPTPPRPIYNRN 1169.61585 MH2+ Inhouse_peptide NA peptide +7719 NA EPAWSNLGIW~ 1170.5689 antioxidative Inhouse_peptide NA peptide +HMDB04900 Ganglioside GA1 (d18:1/12:0) C56H102N2O23 1170.687378 NA HMDB2010 NA NA +HMDB04958 Tetrahexosylceramide (d18:1/12:0) C56H102N2O23 1170.687378 NA HMDB2010 NA NA +HMDB04958 Tetrahexosylceramide (d18:1/12:0) C56H102N2O23 1170.68738 http://www.hmdb.ca/metabolites/HMDB04958 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04900 Ganglioside GA1 (d18:1/12:0) C56H102N2O23 1170.68738 http://www.hmdb.ca/metabolites/HMDB04900 HMDB NA NA +HMDB04958 Tetrahexosylceramide (d18:1/12:0) C56H102N2O23 1170.68738 http://www.hmdb.ca/metabolites/HMDB04958 HMDB NA NA +HMDB04958 Tetrahexosylceramide (d18:1/12:0) C56H102N2O23 1170.68738 http://www.hmdb.ca/metabolites/HMDB04958 PFEM_hmdb_metabocards_blood NA blood +HMDB04900 Ganglioside GA1 (d18:1/12:0) C56H102N2O23 1170.68738 HMDB04900 PFEM_hmdb_metabocards_official NA NA +HMDB04958 Tetrahexosylceramide (d18:1/12:0) C56H102N2O23 1170.68738 HMDB04958 PFEM_hmdb_metabocards_official NA NA +2978 kinetensin IARRHPYFL 1171.6479 celiac toxic Inhouse_peptide NA peptide +2846 orphanin FQ/nociceptin analog [FQ/N (1-11)] FGGFTGARKYA 1173.578 antibacterial Inhouse_peptide NA peptide +7469 coeliac toxic peptide VVKVGGSSSLGW 1174.62 antioxidative Inhouse_peptide NA peptide +HMDB04894 Ganglioside GA2 (d18:1/24:1(15Z)) C62H114N2O18 1174.80664 http://www.hmdb.ca/metabolites/HMDB04894 HMDB NA NA +HMDB04894 Ganglioside GA2 (d18:1/24:1(15Z)) C62H114N2O18 1174.80664 HMDB04894 PFEM_hmdb_metabocards_official NA NA +HMDB04894 Ganglioside GA2 (d18:1/24:1(15Z)) C62H114N2O18 1174.806641 NA HMDB2010 NA NA +3248 bombinin from B, Variegata GIGALSAKGALKGLAKGLAEHFANG 1175.1465 MH2+ Inhouse_peptide NA peptide +FL7AAGGL0031 Violdelphin C53H59O30 1175.3091 126417-59-2 knapsack NA NA +3561 heparin-binding peptide APRKAARWCT 1175.585 ACE inhibitor Inhouse_peptide NA peptide +5411 bovine lactoferrin (LFb 19-37) CRRWQWRMKKLGAPSITCV 1176.0862 MH2+ Inhouse_peptide NA peptide +3963 NA LKKISQRYQKFALPQYLKT 1176.17445 MH2+ Inhouse_peptide NA peptide +HMDB04897 Ganglioside GA2 (d18:1/24:0) C62H116N2O18 1176.822266 NA HMDB2010 NA NA +HMDB04897 Ganglioside GA2 (d18:1/24:0) C62H116N2O18 1176.82227 http://www.hmdb.ca/metabolites/HMDB04897 HMDB NA NA +HMDB04897 Ganglioside GA2 (d18:1/24:0) C62H116N2O18 1176.82227 HMDB04897 PFEM_hmdb_metabocards_official NA NA +HMDB11929 Ganglioside GM3 (d18:1/18:1(11Z)) C59H106N2O21 1178.72876 NA HMDB2010 NA NA +3710 NA RNKPFKFML 1179.6443 ACE inhibitor Inhouse_peptide NA peptide +2967 maculatin 1,2, from Litoria genimaculata GLFGVLAKVASHVVPAIAEHFQA~ 1179.64855 MH2+ Inhouse_peptide NA peptide +HMDB04845 Ganglioside GM3 (d18:1/18:0) C59H108N2O21 1180.744507 NA HMDB2010 NA NA +HMDB11917 Ganglioside GM3 (d18:0/18:1(11Z)) C59H108N2O21 1180.744507 NA HMDB2010 NA NA +HMDB11918 Ganglioside GM3 (d18:0/18:1(9Z)) C59H108N2O21 1180.744507 NA HMDB2010 NA NA +HMDB04845 Ganglioside GM3 (d18:1/18:0) C59H108N2O21 1180.74451 http://www.hmdb.ca/metabolites/HMDB04845 HMDB NA NA +HMDB04845 Ganglioside GM3 (d18:1/18:0) C59H108N2O21 1180.74451 HMDB04845 PFEM_hmdb_metabocards_official NA NA +FL7AACGL0062 Cyanidin 3-(6''-p-coumaryl-2'''-sinapylsambubioside)-5-(6-malonylglucoside) C55H57O29 1181.2985 163812-22-4 knapsack NA NA +HMDB06895 3a,7a-Dihydroxy-5b-cholest-24-enoyl-CoA C48H78N7O19P3S 1181.428589 NA HMDB2010 NA NA +HMDB06895 3alpha,7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA C48H78N7O19P3S 1181.42859 http://www.hmdb.ca/metabolites/HMDB06895 HMDB NA NA +HMDB06895 3alpha,7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA C48H78N7O19P3S 1181.42859 HMDB06895 PFEM_hmdb_metabocards_official NA NA +C05447 3alpha,7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA C48H78N7O19P3S 1181.4286 NA KEGG NA NA +C07607 Gonadotropin-releasing hormone I C55H75N17O13 1181.573 NA KEGG NA NA +7777 Streptococcus mutans inhibitor SGSLSTFFRLFNRSFTQALGK 1181.61095 MH2+ Inhouse_peptide NA peptide +5377 gaegurin 5 FLGALFKVASKVLPSVFCAITKKC 1181.7075 MH2+ Inhouse_peptide NA peptide +C13569 Chromomycin A3 C57H82O26 1182.5094 NA KEGG NA NA +C13570 Transferred to D02063 C57H82O26 1182.5094 NA KEGG NA NA +C13571 Transferred to D02064 C57H82O26 1182.5094 NA KEGG NA NA +C13572 Transferred to D02065 C57H82O26 1182.5094 NA KEGG NA NA +C13573 Transferred to D02066 C57H82O26 1182.5094 NA KEGG NA NA +C13574 Transferred to D02067 C57H82O26 1182.5094 NA KEGG NA NA +C13575 Transferred to D02068 C57H82O26 1182.5094 NA KEGG NA NA +C13577 Transferred to D02069 C57H82O26 1182.5094 NA KEGG NA NA +C13578 Transferred to D02070 C57H82O26 1182.5094 NA KEGG NA NA +C13579 Transferred to D02071 C57H82O26 1182.5094 NA KEGG NA NA +C13580 Transferred to D02072 C57H82O26 1182.5094 NA KEGG NA NA +C13581 Transferred to D02073 C57H82O26 1182.5094 NA KEGG NA NA +C13582 Transferred to D02074 C57H82O26 1182.5094 NA KEGG NA NA +C13583 Transferred to D02075 C57H82O26 1182.5094 NA KEGG NA NA +C13584 Transferred to D02076 C57H82O26 1182.5094 NA KEGG NA NA +C13585 Transferred to D02077 C57H82O26 1182.5094 NA KEGG NA NA +C13586 Transferred to D02078 C57H82O26 1182.5094 NA KEGG NA NA +MetaCyc04402 adenosyl-cobyrate [adenosyl-cobyric acid;] C55H77N15O11COBALT1 1182.525899 NA metacyc NA NA +C06507 Adenosyl cobyrinate hexaamide C55H77CoN15O11 1182.5259 NA KEGG NA NA +2733 regulating the frequency of heart muscles contraction peptide DRFGDKDIAF 1182.5537 antibacterial Inhouse_peptide NA peptide +HMDB11916 Ganglioside GM3 (d18:0/18:0) C59H110N2O21 1182.760132 NA HMDB2010 NA NA +FL7AAGGL0056 Ternatin C4 C51H59O32 1183.2989 215378-77-1 knapsack NA NA +HMDB02159 3a,7a-Dihydroxy-5b-cholestanoyl-CoA C48H80N7O19P3S 1183.44421 http://www.hmdb.ca/metabolites/HMDB02159 HMDB NA NA +HMDB02159 3a,7a-Dihydroxy-5b-cholestanoyl-CoA C48H80N7O19P3S 1183.44421 HMDB02159 PFEM_hmdb_metabocards_official NA NA +HMDB02159 3a,7a-Dihydroxy-5b-cholestanoyl-CoA C48H80N7O19P3S 1183.444214 NA HMDB2010 NA NA +MetaCyc04403 3α,7α-dihydroxy-5β-cholestanoyl-CoA [] C48H80N7O19P3S1 1183.444254 NA metacyc NA NA +C04644 3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA C48H80N7O19P3S 1183.4443 NA KEGG NA NA +C04645 6-(D-Glucose-1-phospho)-D-mannosylglycoprotein C12H22O14PR 1183.4443 NA KEGG NA NA +C17345 (25R)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA C48H80N7O19P3S 1183.4443 NA KEGG NA NA +C17346 (25S)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA C48H80N7O19P3S 1183.4443 NA KEGG NA NA +C08973 Rotundioside B C54H87O26S 1183.5206 NA KEGG NA NA +3989 Human urotensin II ETPDCFWKYCV 1183.5399 opioid Inhouse_peptide NA peptide +3664 NA RNIAEIIKDI 1183.6798 ACE inhibitor Inhouse_peptide NA peptide +FL5FAAGA0038 Kaempferol 3-(2''''-sinapylglucosyl)(1->4)(6'''-sinapylglucosyl)(1->2)-galactoside C55H60O29 1184.322 168781-61-1 knapsack NA NA +7441 coeliac toxic peptide QQXSQPQXPQQQQXPQQPQQ 1184.594 MH2+ Inhouse_peptide NA peptide +C16887 Gambieric acid C C65H100O19 1184.6859 NA KEGG NA NA +FL7AACGL0078 Cyanidin 3-(6'',6'''-disinapylsophoroside)-5-glucoside C55H61O29 1185.3298 110202-93-2 knapsack NA NA +FL7AACGL0096 Cyanidin 3-O-[beta-D-glucopyranoside]-7,3'-di-O-[6-O-(sinapyl)-beta-D-glucopyranoside] C55H61O29 1185.3298 190279-20-0 knapsack NA NA +7343 celiac sprue gluten epitope from gamma-gliadin QWPQQQQPF 1185.541 antioxidative Inhouse_peptide NA peptide +3484 ACE inhibitors derived from yeast GADPH GHKIATFQER 1185.61 ACE inhibitor Inhouse_peptide NA peptide +MetaCyc04404 glycoprotein N-acetyl-D-glucosaminyl-phospho-D-mannose [] C42H71N6O31P1 1186.390136 NA metacyc NA NA +HMDB01083 Adenosyl cobyrinic acid a,c diamide C55H73CoN11O15 1186.46191 http://www.hmdb.ca/metabolites/HMDB01083 HMDB NA NA +HMDB01083 Adenosyl cobyrinic acid a,c diamide C55H73CoN11O15 1186.46191 HMDB01083 PFEM_hmdb_metabocards_official NA NA +HMDB01083 Adenosyl cobyrinic acid a,c diamide C55H73CoN11O15 1186.461914 NA HMDB2010 NA NA +MetaCyc04405 adenosyl-cobyrinic acid a,c-diamide [] C55H73N11O15COBALT1 1186.461961 NA metacyc NA NA +C06506 Adenosyl cobyrinate a,c diamide C55H73CoN11O15 1186.462 NA KEGG NA NA +7039 synthetic peptide from alpha-gliadin IPPYCTIAPFGI 1187.644 antioxidative Inhouse_peptide NA peptide +C01505 Kallidin C56H85N17O12 1187.6564 NA KEGG NA NA +C01506 L-Glycol C2H5O2R 1187.6564 NA KEGG NA NA +4008 NA FLGYDCNLEKCNHHGVCNNKKNCH 1188.5742 MH2+ Inhouse_peptide NA peptide +8166 peptide derived from human fibrinogen ?-chain (400-411) HHLGGAKQAGDV 1188.5839 antibacterial Inhouse_peptide NA peptide +7475 coeliac toxic peptide VEKIGGASSRGE 1188.595 antioxidative Inhouse_peptide NA peptide +3482 ACE inhibitor SFQPQPLIYP 1188.603 ACE inhibitor Inhouse_peptide NA peptide +MetaCyc04406 dolichyl-phosphate [dolichol-phosphate;Dolychol phosphate;] C80H133O4P1 1188.994149 NA metacyc NA NA +3245 bombinin like peptide BLP-3 GIGAAILSAGKSALKGLAKGLAEHF~ 1189.18055 MH2+ Inhouse_peptide NA peptide +2731 renin inhibitor PHPFHFFVY 1189.555 NA Inhouse_peptide NA peptide +2845 orphanin FQ/nociceptin analog [FQ/N (1-11)] FGGFTGARKSY 1189.573 antibacterial Inhouse_peptide NA peptide +3409 ACE inhibitor LLNPPHQIYP 1190.6299 ACE inhibitor Inhouse_peptide NA peptide +3821 NA GRFRRLGRKFKKLFKKYGP 1190.7119 MH2+ Inhouse_peptide NA peptide +HMDB04898 Ganglioside GA2 (d18:1/25:0) C63H118N2O18 1190.83801 http://www.hmdb.ca/metabolites/HMDB04898 HMDB NA NA +HMDB04898 Ganglioside GA2 (d18:1/25:0) C63H118N2O18 1190.83801 HMDB04898 PFEM_hmdb_metabocards_official NA NA +HMDB04898 Ganglioside GA2 (d18:1/25:0) C63H118N2O18 1190.838013 NA HMDB2010 NA NA +7672 ACE inhibitor from b-CN (49-59), mouse SSIQSQPQAFT 1192.558 antioxidative Inhouse_peptide NA peptide +3483 ACE inhibitors derived from yeast GADPH GKKIATYQER 1192.641 ACE inhibitor Inhouse_peptide NA peptide +3503 ACE inhibitor (bCN fr,80-90) TPVVVPPFLQP 1192.6689 ACE inhibitor Inhouse_peptide NA peptide +C04882 UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl- C41H65N9O28P2 1193.3414 NA KEGG NA NA +MetaCyc04407 UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate- D-alanyl-D-alanine [UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine;] C41H65N9O28P2 1193.341426 NA metacyc NA NA +2570 VV-hemorphin-7 VVYPWTQRF 1194.604 antibacterial Inhouse_peptide NA peptide +FL7AAAGL0047 Pelargonidin 3-(6''-ferulyl-2'''-sinapylsambubioside)-5-(6-malonylglucoside) C56H59O29 1195.3142 175737-98-1 knapsack NA NA +2748 activating kinases and phosphatases peptide EPFYENWPD 1195.4678 antibacterial Inhouse_peptide NA peptide +C08915 Tigonin C56H92O27 1196.5826 NA KEGG NA NA +FL7AACGL0063 Cyanidin 3-(6''-caffeyl-2'''-sinapylsambubioside)-5-(6-malonylglucoside) C55H57O30 1197.2934 163812-23-5 knapsack NA NA +FL7AAGGL0041 Delphinidin 3-[2-(6-feruloylglucoside)-6-p-coumaroylglucoside]-5-(6-malonylglucoside) C55H57O30 1197.2934 379232-02-7 knapsack NA NA +HMDB06889 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA C48H78N7O20P3S 1197.42346 http://www.hmdb.ca/metabolites/HMDB06889 HMDB NA NA +HMDB06896 3alpha,7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA C48H78N7O20P3S 1197.42346 http://www.hmdb.ca/metabolites/HMDB06896 HMDB NA NA +HMDB06889 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA C48H78N7O20P3S 1197.42346 HMDB06889 PFEM_hmdb_metabocards_official NA NA +HMDB06896 3alpha,7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA C48H78N7O20P3S 1197.42346 HMDB06896 PFEM_hmdb_metabocards_official NA NA +HMDB06889 3a,7a,12a-Trihydroxy-5b-cholest-24-enoyl-CoA C48H78N7O20P3S 1197.423462 NA HMDB2010 NA NA +HMDB06896 3a,7a-Dihydroxy-5b-24-oxocholestanoyl-CoA C48H78N7O20P3S 1197.423462 NA HMDB2010 NA NA +C05449 3alpha,7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA C48H78N7O20P3S 1197.4235 NA KEGG NA NA +C05460 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA C48H78N7O20P3S 1197.4235 NA KEGG NA NA +2747 activating kinases and phosphatases peptide EPFYMNWPD 1197.4662 antibacterial Inhouse_peptide NA peptide +5446 caeridin 1,1 GLLDGLLGTLGLG 1197.6829 ACE inhibitor Inhouse_peptide NA peptide +C16888 Gambieric acid D C66H102O19 1198.7015 NA KEGG NA NA +MetaCyc04408 3α,7α,12α-trihydroxy-5β-cholestanoyl-CoA [(25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-oyl-CoA;] C48H80N7O20P3S1 1199.439168 NA metacyc NA NA +C04760 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA C48H80N7O20P3S 1199.4392 NA KEGG NA NA +C04763 Apo-[propionyl-CoA:carbon-dioxide ligase (ADP-forming)] C7H13N3O2R2 1199.4392 NA KEGG NA NA +C04764 C-terminal glycine residue of the polypeptide ubiquitin C7H13N3O2R2 1199.4392 NA KEGG NA NA +C04765 Glycolipid(non-reducing N- or O-acylneuraminyl residue) C7H13N3O2R2 1199.4392 NA KEGG NA NA +C05448 3alpha,7alpha,24-Trihydroxy-5beta-cholestanoyl-CoA C48H80N7O20P3S 1199.4392 NA KEGG NA NA +C15613 (25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA C48H80N7O20P3S 1199.4392 NA KEGG NA NA +C17343 (25S)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA C48H80N7O20P3S 1199.4392 NA KEGG NA NA +HMDB02178 3a,7a,12a-Trihydroxy-5b-cholestanoyl-CoA C48H80N7O20P3S 1199.439209 NA HMDB2010 NA NA +HMDB12456 3 alpha,7 alpha,24-Trihydroxy-5beta-cholestanoyl-CoA C48H80N7O20P3S 1199.439209 NA HMDB2010 NA NA +HMDB02178 3a,7a,12a-Trihydroxy-5b-cholestanoyl-CoA C48H80N7O20P3S 1199.43921 http://www.hmdb.ca/metabolites/HMDB02178 HMDB NA NA +HMDB02178 3a,7a,12a-Trihydroxy-5b-cholestanoyl-CoA C48H80N7O20P3S 1199.43921 HMDB02178 PFEM_hmdb_metabocards_official NA NA +3971 ACE inhibitor (fragment of bovine a-La) VGINYWLAHK 1199.6309 ACE inhibitor Inhouse_peptide NA peptide +FL5FACGS0120 Quercetin 3-(2''-sinapoylglucoside)-3'-(6''-sinapoylglucoside)-4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]phenyl]-5,7-dihydroxy-3-[[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one C55H60O30 1200.3169 352639-77-1 knapsack NA NA +7065 coeliac toxic peptide QQQQPPFSQQQQSPFSQQQQ 1200.542 MH2+ Inhouse_peptide NA peptide +7438 coeliac toxic peptide QQQQPFPSQQQQSPFSQQQQ 1200.542 MH2+ Inhouse_peptide NA peptide +3251 beta-casomorphin-11 (60-70) YPFPGPIPNSL 1200.6029 celiac toxic Inhouse_peptide NA peptide +5378 gaegurin 6 FLPLLAGLAANFLPTIICKISYKC 1201.2085 MH2+ Inhouse_peptide NA peptide +FL7AAGGL0071 Delphinidin 3-glucoside-7,3'-di-(6-(E)-sinapoylglucoside) C55H61O30 1201.3247 799854-14-1 knapsack NA NA +C00210 Cobamide C53H81CoN11O15P 1201.4983 NA KEGG NA NA +C00211 Collagen C4H6N2O3R2 1201.4983 NA KEGG NA NA +7474 coeliac toxic peptide VLKVGGTSDVEV 1201.6399 antioxidative Inhouse_peptide NA peptide +C05086 Cyclosporin A C62H111N11O12 1201.8414 NA KEGG NA NA +HMDB06611 A-Heptasaccharide C46H78N2O34 1202.4436 http://www.hmdb.ca/metabolites/HMDB06611 HMDB NA NA +HMDB06611 A-Heptasaccharide C46H78N2O34 1202.4436 HMDB06611 PFEM_hmdb_metabocards_official NA NA +HMDB06611 Alpha-Heptasaccharide C46H78N2O34 1202.443604 NA HMDB2010 NA NA +7025 synthetic peptide from alpha-gliadin SQCQAIHNVVHA 1202.6009 antioxidative Inhouse_peptide NA peptide +HMDB04895 Ganglioside GA2 (d18:1/26:1(17Z)) C64H118N2O18 1202.83801 http://www.hmdb.ca/metabolites/HMDB04895 HMDB NA NA +HMDB04895 Ganglioside GA2 (d18:1/26:1(17Z)) C64H118N2O18 1202.83801 HMDB04895 PFEM_hmdb_metabocards_official NA NA +HMDB04895 Ganglioside GA2 (d18:1/26:1(17Z)) C64H118N2O18 1202.838013 NA HMDB2010 NA NA +8091 peptide derived from bovine aS2-casein NIQFNEQKAL 1203.6108 ACE inhibitor Inhouse_peptide NA peptide +2962 magainin 1 from skin of Xenopus laevis GIGKFLHSAGKFGKAFVGEIMKS 1204.1417 MH2+ Inhouse_peptide NA peptide +HMDB04896 Ganglioside GA2 (d18:1/26:0) C64H120N2O18 1204.853638 NA HMDB2010 NA NA +HMDB04896 Ganglioside GA2 (d18:1/26:0) C64H120N2O18 1204.85364 http://www.hmdb.ca/metabolites/HMDB04896 HMDB NA NA +HMDB04896 Ganglioside GA2 (d18:1/26:0) C64H120N2O18 1204.85364 HMDB04896 PFEM_hmdb_metabocards_official NA NA +3289 NA NIMEILRGDF 1206.5942 celiac toxic Inhouse_peptide NA peptide +7789 de novo designed peptide GLFEALLELLESLWELLLLEA 1206.662 MH2+ Inhouse_peptide NA peptide +3560 heparin-binding peptide APRKSSRWCT 1207.575 ACE inhibitor Inhouse_peptide NA peptide +5410 So-D4 (defensin) MFFSSKKCKTVSKTFRGPCVRNA 1207.65065 MH2+ Inhouse_peptide NA peptide +3134 ester transferases inhibitor TWRMWYVPA 1208.5664 celiac toxic Inhouse_peptide NA peptide +C17441 Polygalacin D C57H92O27 1208.5826 NA KEGG NA NA +C07612 Leuprolide C59H84N16O12 1208.6455 NA KEGG NA NA +2968 maculatin 1,2, from Litoria genimaculata GLFGVLAKVASHVVPAIAEHFQAG 1208.651 MH2+ Inhouse_peptide NA peptide +HMDB04846 Ganglioside GM3 (d18:1/20:0) C61H112N2O21 1208.775757 NA HMDB2010 NA NA +HMDB04846 Ganglioside GM3 (d18:1/20:0) C61H112N2O21 1208.77576 http://www.hmdb.ca/metabolites/HMDB04846 HMDB NA NA +HMDB04846 Ganglioside GM3 (d18:1/20:0) C61H112N2O21 1208.77576 HMDB04846 PFEM_hmdb_metabocards_official NA NA +C16098 Neurokinin B C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16099 Endokinin A/B C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16100 Endokinin C C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16101 Endokinin D C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16102 Obestatin C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16103 Agouti related protein (87-132) C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16104 Neuropeptide EI C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16105 Orexin A C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16106 Orexin B C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16107 Neuromedin S C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16108 Adrenorphin C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16109 RFamide-related peptide 1 C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16110 RFamide-related peptide 3 C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16111 Neuropeptide AF C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16112 Neuropeptide FF C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16113 Gastrin-17 C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16114 Cholecystokinin-8 C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16115 Gastrin-releasing peptide C55H79N13O14S2 1209.5311 NA KEGG NA NA +C16116 L-Aminoacyl-L-amino acid C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16117 Pancreatic polypeptide C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16118 Peptide YY C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16119 Vasoactive intestinal peptide C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16120 C-peptide C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16121 Relaxin-1 C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16122 Relaxin-2 C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16123 Relaxin-3 C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16124 Insulin-like 3 C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16125 Calcitonin gene-related peptide 1 C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16126 Calcitonin gene-related peptide 2 C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16127 Adrenomedullin C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16128 Adrenomedullin 2 C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16129 Calcitonin receptor-stimulating peptide 1 C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16130 Amylin C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16131 Insulin-like growth factor I C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16132 Insulin-like growth factor II C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16133 Cholecystokinin-33 C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16134 Corticotropin-like intermediary peptide C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16135 Dynorphin B C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16136 beta-Melanotropin C4H6N2O3R2 1209.5311 NA KEGG NA NA +C16137 gamma-Melanotropin C4H6N2O3R2 1209.5311 NA KEGG NA NA +C08892 Convallamaroside C57H94O27 1210.5982 NA KEGG NA NA +HMDB11919 Ganglioside GM3 (d18:0/20:0) C61H114N2O21 1210.791382 NA HMDB2010 NA NA +FL7AACGL0064 Cyanidin 3-(6''-ferulyl-2'''-sinapylsambubioside)-5-(6-malonylglucoside) C56H59O30 1211.3091 163812-21-3 knapsack NA NA +FL7AACGL0114 Cyanidin 3-(6-malonylglucoside)-7,3'-di-(6-feruloylglucoside) C56H59O30 1211.3091 799854-19-6 knapsack NA NA +FL5FAGGS0016 Montbretin B C53H64O32 1212.338 115712-91-9 knapsack NA NA +7470 coeliac toxic peptide VIQVGGSNVLDI 1212.6578 antioxidative Inhouse_peptide NA peptide +C05467 3alpha,7alpha,12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA C48H78N7O21P3S 1213.4184 NA KEGG NA NA +HMDB06891 3a,7a,12a-Trihydroxy-5b-24-oxocholestanoyl-CoA C48H78N7O21P3S 1213.418457 NA HMDB2010 NA NA +HMDB06891 3alpha,7alpha,12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA C48H78N7O21P3S 1213.41846 http://www.hmdb.ca/metabolites/HMDB06891 HMDB NA NA +HMDB06891 3alpha,7alpha,12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA C48H78N7O21P3S 1213.41846 HMDB06891 PFEM_hmdb_metabocards_official NA NA +7472 coeliac toxic peptide VIRVGGASEVEV 1213.652 antioxidative Inhouse_peptide NA peptide +C15752 Lienomycin C67H107NO18 1213.7488 NA KEGG NA NA +C11213 SDZ PSC 833 C63H111N11O12 1213.8414 NA KEGG NA NA +7061 coeliac toxic peptide QPQQSFPQQQ 1214.552 antioxidative Inhouse_peptide NA peptide +2899 neuropeptide from eyestalk of Macrobrachium rosenb NYDKNFLRF~ 1214.6067 antibacterial Inhouse_peptide NA peptide +2577 calreticulin QEQVPLVQQF 1214.614 celiac toxic Inhouse_peptide NA peptide +HMDB06890 3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestanoyl-CoA C48H80N7O21P3S 1215.43408 http://www.hmdb.ca/metabolites/HMDB06890 HMDB NA NA +HMDB06890 3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestanoyl-CoA C48H80N7O21P3S 1215.43408 HMDB06890 PFEM_hmdb_metabocards_official NA NA +HMDB06890 3a,7a,12a,24-Tetrahydroxy-5b-cholestanoyl-CoA C48H80N7O21P3S 1215.434082 NA HMDB2010 NA NA +C05450 3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestanoyl-CoA C48H80N7O21P3S 1215.4341 NA KEGG NA NA +C15614 (24R,25R)-3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestan-26- C48H80N7O21P3S 1215.4341 NA KEGG NA NA +2915 neuropeptide from eyestalk of Macrobrachium rosenb GYNRSFLRFG 1215.6019 antibacterial Inhouse_peptide NA peptide +8298 ACE inhibitor VTVNPYKWLP 1215.6499 NA ;SYN:2-Amino-3-(3,4-dihydroxyphenyl)propanoate; 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid; DL-3',4'-Dihydroxyphenylalanine; 3,4-Dihydroxy-DL-phenylalanine; 3,4-Dihydroxyphenylalanine; 3-(3,4-Dihydroxyphenyl)-DL-alanine;(+/-) 3-(3,4-Dihydroxyphenyl)alanine; DL-3,4-Dihydroxyphenylalanine; DL-3-Hydroxytyrosine; DL-4,5-Dihydroxyphenylalanine; DL-b-(3,4-Dihydroxyphenyl)alanine; a-amino-3,4-dihydroxy-Benzenepropanoate; a-amino-3,4-dihydroxy-Benzenepropanoic acid; b-(3,4-Dihydroxyphenyl)-a-alanine; DL-beta-(3,4-Dihydroxyphenyl)alanine; alpha-amino-3,4-dihydroxy-Benzenepropanoate; alpha-amino-3,4-dihydroxy-Benzenepropanoic acid; beta-(3,4-Dihydroxyphenyl)-alpha-alanine; DL-Dioxyphenylalanine; alpha-amino-Hydrocaffeic acidH2Blood Inhouse_peptide NA peptide +5524 buforin 2 TRSSRAGLQFPVGRVHRLLRK 1216.70655 MH2+ Inhouse_peptide NA peptide +3246 bombinin like peptide BLP-3 GIGAAILSAGKSALKGLAKGLAEHFG 1218.183 MH2+ Inhouse_peptide NA peptide +HMDB06612 Monofucosyllacto-N-hexaose C46H78N2O35 1218.438477 NA HMDB2010 NA NA +HMDB06643 Lacto-N-fucoheptaose C46H78N2O35 1218.438477 NA HMDB2010 NA NA +HMDB06612 Monofucosyllacto-N-hexaose C46H78N2O35 1218.43848 http://www.hmdb.ca/metabolites/HMDB06612 HMDB NA NA +HMDB06643 Lacto-N-fucoheptaose C46H78N2O35 1218.43848 http://www.hmdb.ca/metabolites/HMDB06643 HMDB NA NA +HMDB06612 Monofucosyllacto-N-hexaose C46H78N2O35 1218.43848 HMDB06612 PFEM_hmdb_metabocards_official NA NA +HMDB06643 Lacto-N-fucoheptaose C46H78N2O35 1218.43848 HMDB06643 PFEM_hmdb_metabocards_official NA NA +7037 synthetic peptide from alpha-gliadin ALQTLPAMCNVY 1219.6133 antioxidative Inhouse_peptide NA peptide +3701 NA ENRKQDKRF 1219.6278 ACE inhibitor Inhouse_peptide NA peptide +C04894 UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L- C43H70N10O27P2 1220.3887 NA KEGG NA NA +MetaCyc04409 UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine [] C43H70N10O27P2 1220.38871 NA metacyc NA NA +8101 peptide derived from bigeye tuna dark muscle (Thunnus obesus) LNLPTAVYMVT 1220.6333 inhibitor Inhouse_peptide NA peptide +C12053 Nosiheptide C51H43N13O12S6 1221.1478 NA KEGG NA NA +5430 So-D5 (defensin) MFFSSKKCKTVXKTFRGPCVRNAN 1221.15615 MH2+ Inhouse_peptide NA peptide +5379 Brevinin-1EA FLPAIFRMAAKVVPTIICSITKKC 1221.72815 MH2+ Inhouse_peptide NA peptide +8145 peptide derived from jumbo squid skin gelatin (Dosidicus gigas) NGPLQAGQPGER 1222.5899 stimulating Inhouse_peptide NA peptide +C08938 Cyclamin C58H94O27 1222.5982 NA KEGG NA NA +3240 bombinin-like peptide BLP-4 GIGAAILSAGKSIIKGLANGLAEHEG 1223.16795 MH2+ Inhouse_peptide NA peptide +C08888 Avenacoside B C57H92O28 1224.5775 NA KEGG NA NA +C17410 Platycodin D C57H92O28 1224.5775 NA KEGG NA NA +7709 NA DWNKDLHIW~ 1224.5907 antioxidative Inhouse_peptide NA peptide +3941 aurein 5,2 GLMSSIGKALGGLIVDLVKPKTPAS 1225.69715 MH2+ Inhouse_peptide NA peptide +5475 aurein 5,2 GLMSSIGKALGGLIVDVLKPKTPAS 1225.69715 MH2+ Inhouse_peptide NA peptide +7891 peptide from bovine b-lactoglobulin A WYSLAMAASDI 1226.5523 ACE inhibitor Inhouse_peptide NA peptide +C17536 Sibiricoside A C57H94O28 1226.5932 NA KEGG NA NA +HMDB04902 Ganglioside GA1 (d18:1/16:0) C60H110N2O23 1226.749878 NA HMDB2010 NA NA +HMDB04960 Tetrahexosylceramide (d18:1/16:0) C60H110N2O23 1226.749878 NA HMDB2010 NA NA +HMDB04902 Ganglioside GA1 (d18:1/16:0) C60H110N2O23 1226.75 http://www.hmdb.ca/metabolites/HMDB04902 HMDB NA NA +HMDB04960 Tetrahexosylceramide (d18:1/16:0) C60H110N2O23 1226.75 http://www.hmdb.ca/metabolites/HMDB04960 HMDB NA NA +HMDB04902 Ganglioside GA1 (d18:1/16:0) C60H110N2O23 1226.75 HMDB04902 PFEM_hmdb_metabocards_official NA NA +HMDB04960 Tetrahexosylceramide (d18:1/16:0) C60H110N2O23 1226.75 HMDB04960 PFEM_hmdb_metabocards_official NA NA +FL7AAGGL0042 Delphinidin 3-[2-(6-(feruloylglucoside)-6-feruloylglucoside]-5-(6-malonylglucoside) C56H59O31 1227.304 379232-04-9 knapsack NA NA +FL7AAGGL0063 Delphinidin 3-O-rutinoside-7,3'-di-O-(6-O-p-coumaroyl-beta-D-glucopyranoside) C57H63O30 1227.3404 194302-05-1 knapsack NA NA +7663 ACE inhibitor from b-CN (193-202) YQEPVLQPVR 1227.646 antioxidative Inhouse_peptide NA peptide +2881 opioid fragment of b-lipotropin b/a-neoendorphin YGGFLRKYPK 1227.661 antibacterial Inhouse_peptide NA peptide +2956 maiganin related peptide PGQ GVLSNVIGYLKKLGTGALNAVLKQ 1227.7169 MH2+ Inhouse_peptide NA peptide +FL5FAGGS0017 Montbretin A C53H64O33 1228.3329 115712-92-0 knapsack NA NA +C00765 Digitonin C56H92O29 1228.5724 NA KEGG NA NA +7720 NA EPAWSNLGIWG 1228.5739 antioxidative Inhouse_peptide NA peptide +C08911 Sarsaparilloside C57H96O28 1228.6088 NA KEGG NA NA +3593 heparin-binding peptide WQWRGKKLGA 1228.668 ACE inhibitor Inhouse_peptide NA peptide +C08986 Theasaponin C59H92O27 1232.5826 NA KEGG NA NA +2961 maiganin 2 from Xenopus laevis GIGKFLHSAKKFGKAFVGEIMNS 1232.6526 MH2+ Inhouse_peptide NA peptide +7054 Magainin 2, African clawed frog GIGKFLHSAKKFGKAFVGEIMNS 1232.65265 MH2+ Inhouse_peptide NA peptide +5409 So-D3 (defensin) GIFSSRKCKTVSKTFRGICTRNANC 1233.6793 MH2+ Inhouse_peptide NA peptide +7770 Thanatin GSKKPVPIIYCNRRTGKCQRM 1234.12515 MH2+ Inhouse_peptide NA peptide +C12933 Rolitetracycline nitrate C27H44O3 1234.4765 NA KEGG NA NA +C12934 Transferred to D01487 C27H44O3 1234.4765 NA KEGG NA NA +C12935 Transferred to D01488 C27H44O3 1234.4765 NA KEGG NA NA +C12936 Transferred to D01489 C27H44O3 1234.4765 NA KEGG NA NA +C17959 alpha-L-Rhamnosyl-(1->3)-alpha-D-galactosyl-diphosphoundecaprenol C67H112O16P2 1234.7426 NA KEGG NA NA +HMDB11930 Ganglioside GM3 (d18:1/22:1(13Z)) C63H114N2O21 1234.791382 NA HMDB2010 NA NA +3225 brevinin-1E from skin of European frog rana escule FLPLLAGLAANFLPKIFCKITRKC 1235.2505 MH2+ Inhouse_peptide NA peptide +8111 peptide derived from lecithin-free egg yolk LMSYMWSTSM 1235.4902 ACE inhibitor Inhouse_peptide NA peptide +C08989 Virgaureasaponin I C59H96O27 1236.6139 NA KEGG NA NA +HMDB04847 Ganglioside GM3 (d18:1/22:0) C63H116N2O21 1236.807007 NA HMDB2010 NA NA +HMDB11921 Ganglioside GM3 (d18:0/22:1(13Z)) C63H116N2O21 1236.807007 NA HMDB2010 NA NA +HMDB04847 Ganglioside GM3 (d18:1/22:0) C63H116N2O21 1236.80701 http://www.hmdb.ca/metabolites/HMDB04847 HMDB NA NA +HMDB04847 Ganglioside GM3 (d18:1/22:0) C63H116N2O21 1236.80701 HMDB04847 PFEM_hmdb_metabocards_official NA NA +7782 peptide from: influenza virus* GLFEAEGFIENGWEGMIDGWYG 1238.0251 MH2+ Inhouse_peptide NA peptide +HMDB11920 Ganglioside GM3 (d18:0/22:0) C63H118N2O21 1238.822754 NA HMDB2010 NA NA +C06508 Adenosyl cobinamide C58H84CoN16O11 1239.5837 NA KEGG NA NA +HMDB06903 Adenosyl cobinamide C58H84CoN16O11 1239.58374 http://www.hmdb.ca/metabolites/HMDB06903 HMDB NA NA +HMDB06903 Adenosyl cobinamide C58H84CoN16O11 1239.58374 HMDB06903 PFEM_hmdb_metabocards_official NA NA +HMDB06903 Adenosyl cobinamide C58H84CoN16O11 1239.58374 NA HMDB2010 NA NA +MetaCyc04410 adenosylcobinamide [] C58H84N16O11COBALT1 1239.583748 NA metacyc NA NA +3607 heparin-binding peptide WQWRAKKLGA 1242.684 ACE inhibitor Inhouse_peptide NA peptide +2924 neuropeptide from eyestalk of Macrobrachium rosenb DRTPALRLRF~ 1242.7179 antibacterial Inhouse_peptide NA peptide +FL7AAAGL0051 Pelargonidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-caffeyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside] C57H63O31 1243.3353 140635-53-6 knapsack NA NA +FL7AAGGL0032 Delphinidin 3,7-diglucoside-3',5'-di(6-O-p-coumaroyl-beta-glucoside) C57H63O31 1243.3353 395680-63-4 knapsack NA NA +FL7AAGGL0047 Delphinidin 3-O-[6-O-(4-O-(4-O-(6-O-(trans-caffeoyl)-beta-D-glucopyranosyl)-trans-p-coumaroyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside] C57H63O31 1243.3353 307548-61-4 knapsack NA NA +3598 heparin-binding peptide WQCRMKKCGA 1243.5244 ACE inhibitor Inhouse_peptide NA peptide +2644 synthetic fr, of human beta-CN, ACE inhibitor TDQHQDKIYP 1243.5678 NA Inhouse_peptide NA peptide +2921 neuropeptide from eyestalk of Macrobrachium rosenb GGRSPSLRLRF~ 1243.713 antibacterial Inhouse_peptide NA peptide +C12055 Sulfamycin B C54H52N16O16S2 1244.3189 NA KEGG NA NA +3601 heparin-binding peptide WQWRMKALGA 1245.6304 ACE inhibitor Inhouse_peptide NA peptide +3604 heparin-binding peptide APRKNVRWCT 1246.6219 ACE inhibitor Inhouse_peptide NA peptide +8102 peptide derived from yellowfin sole frame protein (Limanda aspera) RPDFDLEPPY 1247.5678 antioxidative Inhouse_peptide NA peptide +7064 coeliac toxic peptide QPQPFPQQSEQSQQPFQPQPF 1248.572 MH2+ Inhouse_peptide NA peptide +7440 coeliac toxic peptide QPQPFPQQSEQSQQPFQPQPF 1248.572 MH2+ Inhouse_peptide NA peptide +8271 f(64-75) of bovine kappa casein PAAVRSPAQILQ 1249.7 Proteotypic phospho-amino acids ;SYN:3-O-Phosphoserine; Dexfosfoserine; Fosforina; L-3-Phosphoserine; L-O-Phosphoserine; L-O-Serine phosphate; L-Phosphoserine; L-Serine dihydrogen phosphate (ester); L-Serine phosphate; L-Serinephosphorate; L-Serinephosphoric acid; L-Seryl phosphateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +MetaCyc04411 PAP-malonyl-CoA [adenosine-3',5'-diphosphate malonyl-CoA;] C34H55N12O27P5S1 1250.170838 NA metacyc NA NA +5514 Misgurin RQRVEELSKFSKKGAAARRRK 1250.2195 MH2+ Inhouse_peptide NA peptide +3213 Casoxin from bovine kappa-casein fr:25-34 YIPIQYVLSR 1250.689 celiac toxic Inhouse_peptide NA peptide +3215 ileum contracting peptide YIPIQYVLSR 1250.689 celiac toxic Inhouse_peptide NA peptide +3216 casoxin C YIPIQYVLSR 1250.689 celiac toxic Inhouse_peptide NA peptide +3495 ACE inhibitor from k-casein YIPIQYVLSR 1250.689 ACE inhibitor Inhouse_peptide NA peptide +HMDB11931 Ganglioside GM3 (d18:1/23:0) C64H118N2O21 1250.822754 NA HMDB2010 NA NA +5405 brevinin-1EC FLPLLAGLAANFFPKIFCKITRKC 1252.24245 MH2+ Inhouse_peptide NA peptide +HMDB04901 Ganglioside GA1 (d18:1/9Z-18:1) C62H112N2O23 1252.76562 http://www.hmdb.ca/metabolites/HMDB04901 HMDB NA NA +HMDB04959 Tetrahexosylceramide (d18:1/9Z-18:1) C62H112N2O23 1252.76562 http://www.hmdb.ca/metabolites/HMDB04959 HMDB NA NA +HMDB04901 Ganglioside GA1 (d18:1/9Z-18:1) C62H112N2O23 1252.76562 HMDB04901 PFEM_hmdb_metabocards_official NA NA +HMDB04959 Tetrahexosylceramide (d18:1/9Z-18:1) C62H112N2O23 1252.76562 HMDB04959 PFEM_hmdb_metabocards_official NA NA +HMDB04901 Ganglioside GA1 (d18:1/9Z-18:1) C62H112N2O23 1252.765625 NA HMDB2010 NA NA +HMDB04959 Tetrahexosylceramide (d18:1/9Z-18:1) C62H112N2O23 1252.765625 NA HMDB2010 NA NA +HMDB11922 Ganglioside GM3 (d18:0/23:0) C64H120N2O21 1252.838379 NA HMDB2010 NA NA +3243 bombinin-like peptide BLP-1 GIGASILSAGKSALKGLAKGLAGHFAN~ 1253.7074 MH2+ Inhouse_peptide NA peptide +MetaCyc04412 actinomycin [] C62H86N12O16 1254.628475 1402-38-6 metacyc NA NA +C06770 Actinomycin D C62H86N12O16 1254.6285 NA KEGG NA NA +HMDB00597 Ganglioside GA1 C62H114N2O23 1254.78125 http://www.hmdb.ca/metabolites/HMDB00597 HMDB NA NA +HMDB04903 Ganglioside GA1 (d18:1/18:0) C62H114N2O23 1254.78125 http://www.hmdb.ca/metabolites/HMDB04903 HMDB NA NA +HMDB04961 Tetrahexosylceramide (d18:1/18:0) C62H114N2O23 1254.78125 http://www.hmdb.ca/metabolites/HMDB04961 HMDB NA NA +HMDB00597 Ganglioside GA1 C62H114N2O23 1254.78125 HMDB00597 PFEM_hmdb_metabocards_official NA NA +HMDB04903 Ganglioside GA1 (d18:1/18:0) C62H114N2O23 1254.78125 HMDB04903 PFEM_hmdb_metabocards_official NA NA +HMDB04961 Tetrahexosylceramide (d18:1/18:0) C62H114N2O23 1254.78125 HMDB04961 PFEM_hmdb_metabocards_official NA NA +HMDB04903 Ganglioside GA1 (d18:1/18:0) C62H114N2O23 1254.78125 NA HMDB2010 NA NA +HMDB04961 Tetrahexosylceramide (d18:1/18:0) C62H114N2O23 1254.78125 NA HMDB2010 NA NA +FL7AAIGL0033 Malvidin 3-O-(6-O-(4-O-(4-O-(6-O-E-p-coumaroyl-beta-D-glucopyranosyl)-E-p-coumaroyl)-alpha-rhamnosyl)-beta-D-glucopyranoside)-5-O-beta-D-glucopyranoside C59H67O30 1255.3717 402935-13-1 knapsack NA NA +8317 Anticancer peptide VENLHLPLPLL 1256.7349 NA ;SYN:(2S)-2-Amino-4-methylpentanoate; (2S)-2-Amino-4-methylpentanoic acid; (S)-(+)-Leucine; (S)-2-Amino-4-methylpentanoate; (S)-2-Amino-4-methylpentanoic acid; (S)-2-Amino-4-methylvalerate; (S)-2-Amino-4-methylvaleric acid; (S)-Leucine; 4-methyl-L-Norvaline; L-(+)-Leucine; L-a-Aminoisocaproate; L-a-Aminoisocaproic acid; Leu; L-alpha-Aminoisocaproate; L-alpha-Aminoisocaproic acid; LeucineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +FL7AACGL0091 Cyanidin 3-O-[2''-O-(2'''-O-(sinapoyl) xylosyl) 6''-O-(p-O-(glucosyl) p-coumaroyl) glucoside] 5-O-glucoside C58H65O31 1257.3509 - knapsack NA NA +FL7AAHGL0017 Petunidin 3-O-(6-O-(4-O-(4-O-(6-O-caffeoyl-beta-D-glucopyranosyl)-E-p-coumaroyl)-alpha-rhamnosyl)-beta-D-glucopyranoside)-5-O-beta-D-glucopyranoside C58H65O31 1257.3509 232617-25-3 knapsack NA NA +3665 drug-binding peptide VCDWWGWGIC 1257.4579 ACE inhibitor Inhouse_peptide NA peptide +C15741 Methylsulfomycin I C55H54N16O16S2 1258.3345 NA KEGG NA NA +2734 regulating the frequency of heart muscles contraction peptide ARRCYNDPKC 1258.5178 antibacterial Inhouse_peptide NA peptide +3596 heparin-binding peptide WQWRSKKLGA 1258.679 ACE inhibitor Inhouse_peptide NA peptide +FL7AACGL0102 Cyanidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-caffeyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside] C57H63O32 1259.3302 710275-50-6 knapsack NA NA +C16008 T-kinin C59H89N17O14 1259.6775 NA KEGG NA NA +C16009 Big endothelin C59H89N17O14 1259.6775 NA KEGG NA NA +C16010 Endothelin-1 C59H89N17O14 1259.6775 NA KEGG NA NA +C16011 Protein-omega-N-(ADP-D-ribosyl)-L-arginine C22H34N10O15P2R2 1259.6775 NA KEGG NA NA +C16012 Endothelin-2 C22H34N10O15P2R2 1259.6775 NA KEGG NA NA +C16013 Endothelin-3 C22H34N10O15P2R2 1259.6775 NA KEGG NA NA +MetaCyc04413 amphomycin [] C56H87N13O20 1261.619032 NA metacyc NA NA +7676 ACE inhibitor from b-CN (48-59), rat HSGIQSEPKAIP 1262.646 antioxidative Inhouse_peptide NA peptide +HMDB04848 Ganglioside GM3 (d18:1/24:1(15Z)) C65H118N2O21 1262.82275 http://www.hmdb.ca/metabolites/HMDB04848 HMDB NA NA +HMDB04848 Ganglioside GM3 (d18:1/24:1(15Z)) C65H118N2O21 1262.82275 HMDB04848 PFEM_hmdb_metabocards_official NA NA +HMDB04848 Ganglioside GM3 (d18:1/24:1(15Z)) C65H118N2O21 1262.822754 NA HMDB2010 NA NA +7050 Alloferon 1 (Streptococcus pyogenes) HGVSGHGQHGVHG 1264.563 antioxidative Inhouse_peptide NA peptide +HMDB04851 Ganglioside GM3 (d18:1/24:0) C65H120N2O21 1264.838379 NA HMDB2010 NA NA +HMDB11924 Ganglioside GM3 (d18:0/24:1(15Z)) C65H120N2O21 1264.838379 NA HMDB2010 NA NA +HMDB04851 Ganglioside GM3 (d18:1/24:0) C65H120N2O21 1264.83838 http://www.hmdb.ca/metabolites/HMDB04851 HMDB NA NA +HMDB04851 Ganglioside GM3 (d18:1/24:0) C65H120N2O21 1264.83838 HMDB04851 PFEM_hmdb_metabocards_official NA NA +7783 N-terminal peptide (INF7) GLFEAIEGFIENGWEGMIWDYG 1266.0566 MH2+ Inhouse_peptide NA peptide +C17443 Platycodin A C59H94O29 1266.5881 NA KEGG NA NA +C17487 Platycodin C C59H94O29 1266.5881 NA KEGG NA NA +HMDB11923 Ganglioside GM3 (d18:0/24:0) C65H122N2O21 1266.854004 NA HMDB2010 NA NA +C08982 Soyasaponin A1 C59H96O29 1268.6037 NA KEGG NA NA +2796 platelet inhibitor(fr,106-116 of bovine k-casein) MAIPPKKNQDK 1268.6752 NA Inhouse_peptide NA peptide +3292 bovine kappa-casein fr,106-116 MAIPPKKNQDK 1268.6752 celiac toxic Inhouse_peptide NA peptide +MetaCyc04414 dolichyl diphosphate [] C80H134O7P2 1268.96048 NA metacyc NA NA +C12041 Tyrocidine C66H87N13O13 1269.6546 NA KEGG NA NA +FL7AACGL0097 Cyanidin 3-O-[6-O-(malonyl)-beta-D-glucopyranoside]-7,3'-di-O-[6-O-(sinapyl)-beta-D-glucopyranoside] C58H63O32 1271.3302 190279-21-1 knapsack NA NA +FL7AAIGL0025 Malvidin 3-O-[6-O-[4-O-[4-O-(6-O-caffeoyl-beta-D-glucopyranosyl)-p-coumaroyl]-alpha-L-rhamnosyl]-beta-D-glucopyranoside]-5-O-beta-D-glucopyranoside C59H67O31 1271.3666 210050-04-7 knapsack NA NA +8205 peptide from Cornu Bubali (Bubalus Bubalis horn) AADNANELFPPN 1271.5646 Short chain acyl carnitines ;SYN:2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-Ethanaminium inner salt; Choline Alfoscerate; Choline glycerophosphate; Glycerol 3-phosphocholine; Glycerol phosphorylcholine; Glycerol-3-phosphatidylcholine; Glycerophosphatidylcholine; Glycerophosphocholine; Glycerophosphorylcholine; L-Choline hydroxide 2,3-dihydroxypropyl hydrogen phosphate inner salt; L-alpha-Glycerophosphocholine; L-alpha-Glycerophosphorylcholine; L-alpha-Glycerylphosphorylcholine; a-Glycerophosphorylcholine; a-Glycerylphosphorylcholine; alpha-Glycerophosphorylcholine; hydrogen glycerophosphate Choline; sn-Glycero-3-phosphocholine; alpha-Glycerylphosphorylcholine; GPCho; GPCH2Blood; Breast Milk; Cerebrospinal Fluid; Semen Inhouse_peptide NA peptide +2907 neuropeptide from eyestalk of Macrobrachium rosenb NYDKNFLRFG 1272.6117 antibacterial Inhouse_peptide NA peptide +C13937 Cholinephosphorylmannosylneogalabiaosylceramide C63H122N2O21P 1273.8278 NA KEGG NA NA +C13938 Cholinephosphorylneogalatriaosylceramide C63H122N2O21P 1273.8278 NA KEGG NA NA +C13939 Transferred to D02170 C63H122N2O21P 1273.8278 NA KEGG NA NA +7884 peptide from myosin heavy chain, pork muscles VPSIDDQEELM 1274.5562 antibacterial Inhouse_peptide NA peptide +HMDB04852 Ganglioside GM3 (d18:1/25:0) C66H122N2O21 1278.854 http://www.hmdb.ca/metabolites/HMDB04852 HMDB NA NA +HMDB04852 Ganglioside GM3 (d18:1/25:0) C66H122N2O21 1278.854 HMDB04852 PFEM_hmdb_metabocards_official NA NA +HMDB04852 Ganglioside GM3 (d18:1/25:0) C66H122N2O21 1278.854004 NA HMDB2010 NA NA +3254 bactenecin RLCRIVVIRVCR 1278.86 celiac toxic Inhouse_peptide NA peptide +7717 NA SKWDNFRGSW~ 1280.5918 antioxidative Inhouse_peptide NA peptide +7033 synthetic peptide from alpha-gliadin QQNPQAQGSVQP 1280.5949 antioxidative Inhouse_peptide NA peptide +MetaCyc04415 actinomycinic monolactone [] C62H96N12O17 1280.70164 NA metacyc NA NA +HMDB11925 Ganglioside GM3 (d18:0/25:0) C66H124N2O21 1280.869629 NA HMDB2010 NA NA +3069 human endothelin I CSCSSLMDKECVYFCHLDIIW 1280.9991 MH2+ Inhouse_peptide NA peptide +7710 NA DWNKDLHIWG 1282.5957 antioxidative Inhouse_peptide NA peptide +7017 synthetic peptide from alpha-gliadin LQQQLIPCMDVV 1282.6813 antioxidative Inhouse_peptide NA peptide +3244 bombinin-like peptide BLP-1 GIGASILSAGKSALKGLAKGLAGHFANG 1282.70995 MH2+ Inhouse_peptide NA peptide +HMDB04904 Ganglioside GA1 (d18:1/20:0) C64H118N2O23 1282.8125 http://www.hmdb.ca/metabolites/HMDB04904 HMDB NA NA +HMDB04962 Tetrahexosylceramide (d18:1/20:0) C64H118N2O23 1282.8125 http://www.hmdb.ca/metabolites/HMDB04962 HMDB NA NA +HMDB04904 Ganglioside GA1 (d18:1/20:0) C64H118N2O23 1282.8125 HMDB04904 PFEM_hmdb_metabocards_official NA NA +HMDB04962 Tetrahexosylceramide (d18:1/20:0) C64H118N2O23 1282.8125 HMDB04962 PFEM_hmdb_metabocards_official NA NA +HMDB04904 Ganglioside GA1 (d18:1/20:0) C64H118N2O23 1282.8125 NA HMDB2010 NA NA +HMDB04962 Tetrahexosylceramide (d18:1/20:0) C64H118N2O23 1282.8125 NA HMDB2010 NA NA +2576 calreticulin YQLLQELCCQHL 1283.673 celiac toxic Inhouse_peptide NA peptide +C15959 Thermobiszeaxanthin-13-13 C78H124O14 1284.8991 NA KEGG NA NA +C15960 Octaneuropeptide C78H124O14 1284.8991 NA KEGG NA NA +C15961 P55-TNFR C78H124O14 1284.8991 NA KEGG NA NA +C15962 P75-TNFR C78H124O14 1284.8991 NA KEGG NA NA +FL7AAIGL0032 Malvidin 3-O-(6-O-(4-O-(4-O-(6-O-feruloyl-beta-D-glucopyranosyl)-E-p-coumaroyl)-alpha-rhamnosyl)-beta-D-glucopyranoside)-5-O-beta-D-glucopyranoside C60H69O31 1285.3822 402935-12-0 knapsack NA NA +2636 synthetic fr, of human beta-CN (42-52) ACE inhibitor PSFQPQPLIYP 1285.655 NA Inhouse_peptide NA peptide +2819 PEP inhibitor PRPQPHPQPHP 1286.645 NA Inhouse_peptide NA peptide +FL7AAGGL0061 Delphinidin 3-(6-malonylglucoside)-7,3'-di-(6-sinapoylglucoside) C58H63O33 1287.3251 799854-16-3 knapsack NA NA +FL7AAIGL0026 Malvidin 3-O-[6-O-[4-O-[4-O-(6-O-caffeoyl-beta-D-glucopyranosyl)caffeoyl]-alpha-L-rhamnosyl]-beta-D-glucopyranoside]-5-O-beta-D-glucopyranoside C59H67O32 1287.3615 210050-03-6 knapsack NA NA +HMDB06594 Disialyllacto-N-tetraose C48H77N3O37 1287.42358 http://www.hmdb.ca/metabolites/HMDB06594 HMDB NA NA +HMDB06594 Disialyllacto-N-tetraose C48H77N3O37 1287.42358 HMDB06594 PFEM_hmdb_metabocards_official NA NA +C12068 GE2270A C56H55N15O10S6 1289.2581 NA KEGG NA NA +C12130 Anemone blue anthocyanin 1 C57H61O34 1289.3044 NA KEGG NA NA +FL7AAGGA0012 Delphinidin 3-O-[2-O-(2-O-(trans-caffeoyl)-beta-D-glucopyranosyl)-beta-D-galactopyranoside]-7-O-[6-O-(trans-caffeoyl)-beta-D-glucopyranoside]-3'-O-[beta-D-glucuronopyranoside] C57H61O34 1289.3044 462122-44-7 knapsack NA NA +HMDB06594 Disialyllacto-N-tetraose C48H79N3O37 1289.439209 NA HMDB2010 NA NA +8120 peptide derived from giant squid muscle (Dosidicus gigas) NADFGLNGLEGLA 1289.6117 anticancer Inhouse_peptide NA peptide +7023 synthetic peptide from alpha-gliadin LCCQHLWQIPEQ 1290.657 antioxidative Inhouse_peptide NA peptide +HMDB04849 Ganglioside GM3 (d18:1/26:1(17Z))) C67H122N2O21 1290.854 http://www.hmdb.ca/metabolites/HMDB04849 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04849 Ganglioside GM3 (d18:1/26:1(17Z))) C67H122N2O21 1290.854 http://www.hmdb.ca/metabolites/HMDB04849 HMDB NA NA +HMDB04849 Ganglioside GM3 (d18:1/26:1(17Z))) C67H122N2O21 1290.854 http://www.hmdb.ca/metabolites/HMDB04849 PFEM_hmdb_metabocards_blood NA blood +HMDB04849 Ganglioside GM3 (d18:1/26:1(17Z))) C67H122N2O21 1290.854 HMDB04849 PFEM_hmdb_metabocards_official NA NA +HMDB04849 Ganglioside GM3 (d18:1/26:1(17Z))) C67H122N2O21 1290.854004 NA HMDB2010 NA NA +3966 NA VYQHQKAMKPWIQPKTKVIPY 1291.19875 MH2+ Inhouse_peptide NA peptide +3222 caerin 1,1, from Litoria genimaculata GLLSVLGSVAKHVLPHVVPVIAEHL~ 1291.261 MH2+ Inhouse_peptide NA peptide +C15819 FK463 C56H70N9O23S 1291.4203 NA KEGG NA NA +C15820 Teicoplanin C58H42Cl2N7O18 1291.4203 NA KEGG NA NA +3594 heparin-binding peptide WQWRCKKLGA 1291.647 ACE inhibitor Inhouse_peptide NA peptide +C04830 beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol C69H115NO17P2 1291.764 NA KEGG NA NA +MetaCyc04416 β-D-glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol [] C69H115N1O17P2 1291.764024 NA metacyc NA NA +7018 synthetic peptide from alpha-gliadin PCMDVVLQQHNI 1292.6402 antioxidative Inhouse_peptide NA peptide +HMDB04850 Ganglioside GM3 (d18:1/26:0) C67H124N2O21 1292.869629 NA HMDB2010 NA NA +HMDB11927 Ganglioside GM3 (d18:0/26:1(17Z)) C67H124N2O21 1292.869629 NA HMDB2010 NA NA +HMDB04850 Ganglioside GM3 (d18:1/26:0) C67H124N2O21 1292.86963 http://www.hmdb.ca/metabolites/HMDB04850 HMDB NA NA +HMDB04850 Ganglioside GM3 (d18:1/26:0) C67H124N2O21 1292.86963 HMDB04850 PFEM_hmdb_metabocards_official NA NA +HMDB11926 Ganglioside GM3 (d18:0/26:0) C67H126N2O21 1294.885254 NA HMDB2010 NA NA +C04465 alpha,alpha'-Trehalose 6,6'-bismycolate C76H142O15 1295.0349 NA KEGG NA NA +C04466 alpha-2,8-Linked polymer of sialic acid C76H142O15 1295.0349 NA KEGG NA NA +8136 peptide derived from rice (Oryza sativa L,) DHHQVYSPGEQ 1295.5369 stimulating Inhouse_peptide NA peptide +8124 secretory peptide hormone - angiotensin I DRVYIHPFHL 1295.6629 anticancer Inhouse_peptide NA peptide +C00873 Angiotensin I C62H89N17O14 1295.6775 NA KEGG NA NA +C00875 Cephalosporin C8H8N2O3SR2 1295.6775 NA KEGG NA NA +C07974 Suramin C51H40N6O23S6 1296.0469 NA KEGG NA NA +C07975 Transferred to D00808 C51H40N6O23S6 1296.0469 NA KEGG NA NA +C07976 Transferred to D00809 C51H40N6O23S6 1296.0469 NA KEGG NA NA +C07977 Transferred to D00810 C51H40N6O23S6 1296.0469 NA KEGG NA NA +C07978 Transferred to D00811 C51H40N6O23S6 1296.0469 NA KEGG NA NA +C07979 Transferred to D00812 C51H40N6O23S6 1296.0469 NA KEGG NA NA +C07980 Transferred to D00813 C51H40N6O23S6 1296.0469 NA KEGG NA NA +C07981 Transferred to D00814 C51H40N6O23S6 1296.0469 NA KEGG NA NA +MetaCyc04417 γ-cyclodextrin [cyclooctaamylose;ringdex c;cyclooctapentylose;γ-dextrin;] C48H80O40 1296.422587 NA metacyc NA NA +C15717 ECO 02301 C70H108N2O20 1296.7495 NA KEGG NA NA +3117 adrenocorticotropin hormone fr,: 1-10 SYSMEHFRWG 1298.5364 celiac toxic Inhouse_peptide NA peptide +2817 PEP inhibitor HLPPPVHLPPPV 1298.7321 NA Inhouse_peptide NA peptide +HMDB04936 Ganglioside GM2 (d18:1/12:0) C61H109N3O26 1299.72998 http://www.hmdb.ca/metabolites/HMDB04936 HMDB NA NA +HMDB04936 Ganglioside GM2 (d18:1/12:0) C61H109N3O26 1299.72998 HMDB04936 PFEM_hmdb_metabocards_official NA NA +HMDB04936 Ganglioside GM2 (d18:1/12:0) C61H109N3O26 1299.72998 NA HMDB2010 NA NA +3049 kinases inhibitor LREIQILLRF 1299.79 celiac toxic Inhouse_peptide NA peptide +2567 regulating cell-permeability peptide NYKKPKLAAAPALLALLVAPLLAVAA 1299.80045 MH2+ Inhouse_peptide NA peptide +2568 regulating cell-permeability peptide AAVALLPAVLLALLAPAAANYKKPKL 1299.80045 MH2+ Inhouse_peptide NA peptide +2569 regulating cell-permeability peptide NYKKPKLAAAAAVALLPAVLLALLAP 1299.80045 MH2+ Inhouse_peptide NA peptide +2960 maiganin related peptide CPG GFGSFLGKALKAALKIGANALGGSPQQ 1300.2119 MH2+ Inhouse_peptide NA peptide +2905 neuropeptide from eyestalk of Macrobrachium rosenb DRTPALRLRFG 1300.7229 antibacterial Inhouse_peptide NA peptide +HMDB11894 Ganglioside GM2 (d18:0/12:0) C62H112N2O26 1300.750366 NA HMDB2010 NA NA +C13872 Caldarchaeol C86H172O6 1301.3154 NA KEGG NA NA +C13873 Transferred to D02150 C86H172O6 1301.3154 NA KEGG NA NA +2904 neuropeptide from eyestalk of Macrobrachium rosenb GGRSPSLRLRFG 1301.718 antibacterial Inhouse_peptide NA peptide +7725 NA RIGKMVSFPRI~ 1301.7614 antioxidative Inhouse_peptide NA peptide +3591 heparin-binding peptide WQWRMKKLGA 1302.6874 ACE inhibitor Inhouse_peptide NA peptide +2959 maiganin related peptide LPF GWASKIGQTLGKIAKVGLQGLMQPK 1304.23365 MH2+ Inhouse_peptide NA peptide +3995 NA TKCFQWQRNMRKVRGPPVSCIKR 1305.72815 MH2+ Inhouse_peptide NA peptide +MetaCyc04418 actinomycinate [actinomycinic acid;] C62H106N12O18 1306.774805 NA metacyc NA NA +3136 ester transferases inhibitor VTWRMWYVPA 1307.6344 celiac toxic Inhouse_peptide NA peptide +2973 LVV-hemorphin-7 LVVYPWTQRF 1307.688 celiac toxic Inhouse_peptide NA peptide +3068 human endothelin II CSCSSWLDKECVYFCHLDIIW 1308.5184 MH2+ Inhouse_peptide NA peptide +7020 synthetic peptide from alpha-gliadin AHGRSQVLQQST 1310.654 antioxidative Inhouse_peptide NA peptide +HMDB04905 Ganglioside GA1 (d18:1/22:0) C66H122N2O23 1310.84387 http://www.hmdb.ca/metabolites/HMDB04905 HMDB NA NA +HMDB04963 Tetrahexosylceramide (d18:1/22:0) C66H122N2O23 1310.84387 http://www.hmdb.ca/metabolites/HMDB04963 HMDB NA NA +HMDB04905 Ganglioside GA1 (d18:1/22:0) C66H122N2O23 1310.84387 HMDB04905 PFEM_hmdb_metabocards_official NA NA +HMDB04963 Tetrahexosylceramide (d18:1/22:0) C66H122N2O23 1310.84387 HMDB04963 PFEM_hmdb_metabocards_official NA NA +HMDB04905 Ganglioside GA1 (d18:1/22:0) C66H122N2O23 1310.843872 NA HMDB2010 NA NA +HMDB04963 Tetrahexosylceramide (d18:1/22:0) C66H122N2O23 1310.843872 NA HMDB2010 NA NA +C12016 A47934 C58H44Cl3N7O21S 1311.1377 NA KEGG NA NA +7443 coeliac toxic peptide YYPTSPQQSGQG 1311.557 antioxidative Inhouse_peptide NA peptide +C15963 Thermobiszeaxanthin-13-15 C80H128O14 1312.9304 NA KEGG NA NA +2813 PEP inhibitor GVQVETISPGDGR 1313.6418 NA Inhouse_peptide NA peptide +2925 neuropeptide from eyestalk of Macrobrachium rosenb ANRSPSLRLRF~ 1314.7509 antibacterial Inhouse_peptide NA peptide +7032 synthetic peptide from alpha-gliadin GSFRPSQQNPQA 1315.6119 antioxidative Inhouse_peptide NA peptide +MetaCyc04419 adenosylcobinamide-P [adenosyl-cobinamide phosphate;] C58H83N16O14P1COBALT1 1317.534428 NA metacyc NA NA +C04054 5-Hydroxybenzimidazolylcob(I)amide C60H85CoN13O15P 1317.5358 NA KEGG NA NA +7464 coeliac toxic peptide LGQGSFRPSQQN 1317.6279 antioxidative Inhouse_peptide NA peptide +2730 renin inhibitor PHPFHFFVYK 1317.649 NA Inhouse_peptide NA peptide +C08987 Tubeimoside I C63H98O29 1318.6194 NA KEGG NA NA +HMDB12184 Adenosyl cobinamide phosphate C58H85CoN16O14P 1319.550049 NA HMDB2010 NA NA +C06509 Adenosyl cobinamide phosphate C58H85CoN16O14P 1319.5501 NA KEGG NA NA +3221 caerin 1,1, from Litoria genimaculata GLLSVLGSVAKHVLPHVVPVIAEHLG 1320.26355 MH2+ Inhouse_peptide NA peptide +7445 coeliac toxic peptide SSQVSFQPSQLN 1320.6169 antioxidative Inhouse_peptide NA peptide +3648 NA KLKLLLLLKLK~ 1320.98 ACE inhibitor Inhouse_peptide NA peptide +MetaCyc04420 dolichyl D-xylosyl phosphate [] C85H141O8P1 1321.036408 NA metacyc NA NA +7744 ACE inhibitor from bullfrog (R,catesbeiana) GAAELPCSADWW 1321.5269 antioxidative Inhouse_peptide NA peptide +C07613 Nafarelin C66H83N17O13 1321.6356 NA KEGG NA NA +C07614 Transferred to D00573 C66H83N17O13 1321.6356 NA KEGG NA NA +C07671 Histrelin C66H86N18O12 1322.6673 NA KEGG NA NA +8294 Fatty acid synthase inhibitor EITPEKNPQLR 1323.6989 NA ;SYN:4,4'-Dithiobis; DL-Homocystine; HomocystineH2Blood; Urine Inhouse_peptide NA peptide +C04932 2,3,2',3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta- C68H129N2O20P 1324.8876 NA KEGG NA NA +C04934 N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2)- C30H50N3O21R 1324.8876 NA KEGG NA NA +C04936 alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-N-acetyl-beta-D- C56H96N3O31R 1324.8876 NA KEGG NA NA +C04937 N-Acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,6-(N-acetyl- C34H57N2O26R 1324.8876 NA KEGG NA NA +C04938 N-Acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-N-acetyl-beta-D- C53H92N3O28R 1324.8876 NA KEGG NA NA +C04939 N-Acetyl-D-glucosaminyl-1,6-beta-D-galactosyl-1,4-N-acetyl-beta-D- C53H92N3O28R 1324.8876 NA KEGG NA NA +C04940 (N-Acetyl-beta-D-glucosaminyl-1,2)-alpha-D-mannosyl-1,3-(beta-N- C34H57N2O26R 1324.8876 NA KEGG NA NA +C04942 beta-D-Mannosyl-R C6H11O6R 1324.8876 NA KEGG NA NA +C04943 N-Acetyl-beta-D-glucosaminyl-1,4-(N-acetyl-beta-D-glucosaminyl-1,2)- C28H47N2O21R 1324.8876 NA KEGG NA NA +C04944 6-(2-[N-Acetyl-beta-D-glucosaminyl]-alpha-D-mannosyl)-beta-D- C20H34NO16R 1324.8876 NA KEGG NA NA +MetaCyc04421 lipid A disaccharide [2,3-bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-(β-D-1,6)-2,3-bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-β-phosphate;2,3-bis(3-hydroxymyristoyl)-D-glucosaminyl-1,6-β-D-2,3-bis(3-hydroxymyristoyl)-β-D-glucosaminyl 1-phosphate;2'-3'-diacyl-GlcN(β-1'-6)2,3-diacyl-GlcN-1-P;2,3,2',3'-tetrakis(3-hydroxymyristoyl)-D-glucosaminyl-1,6-β-D-glucosamine 1-phosphate;2,3-bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-β-D-2,3-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl 1-phosphate;[2-N,3-O-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl]-(1 => 6)-[2-N,3-O-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl phosphate];] C68H129N2O20P1 1324.887631 NA metacyc NA NA +C15695 Complestatin C61H45Cl6N7O15 1325.1105 NA KEGG NA NA +8137 anticancer peptide from algae protein waste (Chlorella vulgaris) VECYGPNRPQF 1325.5679 stimulating Inhouse_peptide NA peptide +8138 peptide derived from algae protein waste (Chlorella vulgaris) VECYGPNRPQF 1325.5679 stimulating Inhouse_peptide NA peptide +2758 rat NP-3 defensin CSCRTSSCRFGERLSGACRLNGRIYRLCC 1325.71645 MH2+ Inhouse_peptide NA peptide +C13548 Alprostadil alfadex C36H60O30 1326.5576 NA KEGG NA NA +C13549 Transferred to D02045 C36H60O30 1326.5576 NA KEGG NA NA +7024 synthetic peptide from alpha-gliadin WQIPEQSQCQAI 1326.642 antioxidative Inhouse_peptide NA peptide +HMDB11909 Ganglioside GM2 (d18:1/14:0) C64H114N2O26 1326.765991 NA HMDB2010 NA NA +EUR080 cobalamin C62H88CoN13O14P 1328.5643 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR080 cobalamin C62H88CoN13O14P 1328.5643 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR080 cobalamin C62H88CoN13O14P 1328.5643 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR080 cobalamin C62H88CoN13O14P 1328.5643 Wishlist Inhousejuil11 NA NA +C00541 Cob(II)alamin C62H88CoN13O14P 1328.5643 NA KEGG NA NA +EUR080 Cobalamin C62H88CoN13O14P 1328.564324 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR080 Cobalamin C62H88CoN13O14P 1328.564324 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR080 Cobalamin C62H88CoN13O14P 1328.564324 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR080 Cobalamin C62H88CoN13O14P 1328.564324 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR080 Cobalamin C62H88CoN13O14P 1328.564324 Wishlist HMDB NA NA +EUR080 Cobalamin C62H88CoN13O14P 1328.564324 Wishlist Inhouse_PFEM NA NA +EUR080 Cobalamin C62H88CoN13O14P 1328.564324 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR080 Cobalamin C62H88CoN13O14P 1328.564324 Wishlist PFEM_hmdb_metabocards_official NA NA +HMDB02174 Cobalamin C62H88CoN13O14P 1328.56433 http://www.hmdb.ca/metabolites/HMDB02174 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03429 Cob(I)alamin C62H88CoN13O14P 1328.56433 http://www.hmdb.ca/metabolites/HMDB03429 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB02174 Cobalamin C62H88CoN13O14P 1328.56433 http://www.hmdb.ca/metabolites/HMDB02174 HMDB NA NA +HMDB03429 Cob(I)alamin C62H88CoN13O14P 1328.56433 http://www.hmdb.ca/metabolites/HMDB03429 HMDB NA NA +HMDB02174 Cobalamin C62H88CoN13O14P 1328.56433 http://www.hmdb.ca/metabolites/HMDB02174 PFEM_hmdb_metabocards_blood NA blood +HMDB03429 Cob(I)alamin C62H88CoN13O14P 1328.56433 http://www.hmdb.ca/metabolites/HMDB03429 PFEM_hmdb_metabocards_blood NA blood +HMDB02174 Cobalamin C62H88CoN13O14P 1328.56433 HMDB02174 PFEM_hmdb_metabocards_official NA NA +HMDB03429 Cob(I)alamin C62H88CoN13O14P 1328.56433 HMDB03429 PFEM_hmdb_metabocards_official NA NA +HMDB02174 Cobalamin C62H88CoN13O14P 1328.564331 NA HMDB2010 NA NA +HMDB03429 Cob(I)alamin C62H88CoN13O14P 1328.564331 NA HMDB2010 NA NA +MetaCyc04422 cob(II) alamin [vitamin B12;vitamin B12r;cobalamin;cbl;vitamin B12;] C62H88N13O14P1COBALT1 1328.564331 NA metacyc NA NA +MetaCyc04423 cob(I)alamin [B12;cobalamin;vitamin B12;Cbl;vitamin B12s;] C62H88N13O14P1COBALT1 1328.564331 18534-66-2 metacyc NA NA +7797 Antioxidant peptide derived from bovine b- and k-casein ARHPHPHLSFM 1328.6404 antioxidative Inhouse_peptide NA peptide +HMDB11895 Ganglioside GM2 (d18:0/14:0) C64H116N2O26 1328.781616 NA HMDB2010 NA NA +FL7AAGGL0053 Ternatin C1 C60H65O34 1329.3357 215378-73-7 knapsack NA NA +HMDB06316 Cob(II)alamin C62H89CoN13O14P 1329.57214 http://www.hmdb.ca/metabolites/HMDB06316 HMDB NA NA +HMDB06316 Cob(II)alamin C62H89CoN13O14P 1329.57214 HMDB06316 PFEM_hmdb_metabocards_official NA NA +HMDB06316 Cob(II)alamin C62H89CoN13O14P 1329.572144 NA HMDB2010 NA NA +C00853 Cob(I)alamin C62H89CoN13O14P 1329.5722 NA KEGG NA NA +7673 ACE inhibitor from b-CN (48-59), mouse HSSIQSQPQAFT 1329.616 antioxidative Inhouse_peptide NA peptide +C12133 Anemone blue anthocyanin 4 C58H59O36 1331.2786 NA KEGG NA NA +FL7AAGGA0011 Delphinidin 3-O-[2-O-(2-O-(trans-caffeoyl)-beta-D-glucopyranosyl)-6-O-(2-O-(tartaryl)malonyl)-beta-D-galactopyranoside]-7-O-[6-O-(trans-caffeoyl)-beta-D-glucopyranoside] C58H59O36 1331.2786 462122-47-0 knapsack NA NA +2955 maiganin related peptide XPF GWASKIGQTLGKIAKVGLKELIQPK 1331.28395 MH2+ Inhouse_peptide NA peptide +C04665 Co-Methyl-Co-5-hydroxybenzimidazolylcobamide C61H87CoN13O15P 1331.5514 NA KEGG NA NA +5488 clavanin A VFQFLGKIIHHVGNFVHGFSHVF 1332.69285 MH2+ Inhouse_peptide NA peptide +MetaCyc04424 prenyl-P-P-GlcNAc-ManNAc [N-acetyl-β-D-mannosaminyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol;ManNAc-GlcNAc-PP-undecaprenol;] C71H118N2O17P2 1332.790573 NA metacyc NA NA +C04881 N-Acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D- C71H118N2O17P2 1332.7906 NA KEGG NA NA +5510 clavanin C VFHLLGKIIHHVGNFVYGFSHVF 1333.2035 MH2+ Inhouse_peptide NA peptide +5521 Androctonin RSVCRQIKICRRRGGCYYKCTNRPY 1333.24645 MH2+ Inhouse_peptide NA peptide +C15718 Pyoverdine I C55H83N17O22 1333.5899 NA KEGG NA NA +7473 coeliac toxic peptide RIRVGQSMNMGS 1334.6417 antioxidative Inhouse_peptide NA peptide +7031 synthetic peptide from alpha-gliadin QYPLGQGSFRPS 1335.642 antioxidative Inhouse_peptide NA peptide +7476 coeliac toxic peptide VLKMAGNSFQEN 1336.6302 antioxidative Inhouse_peptide NA peptide +HMDB04906 Ganglioside GA1 (d18:1/24:1(15Z)) C68H124N2O23 1336.859497 NA HMDB2010 NA NA +HMDB04964 Tetrahexosylceramide (d18:1/24:1(15Z)) C68H124N2O23 1336.859497 NA HMDB2010 NA NA +HMDB04906 Ganglioside GA1 (d18:1/24:1(15Z)) C68H124N2O23 1336.8595 http://www.hmdb.ca/metabolites/HMDB04906 HMDB NA NA +HMDB04964 Tetrahexosylceramide (d18:1/24:1(15Z)) C68H124N2O23 1336.8595 http://www.hmdb.ca/metabolites/HMDB04964 HMDB NA NA +HMDB04906 Ganglioside GA1 (d18:1/24:1(15Z)) C68H124N2O23 1336.8595 HMDB04906 PFEM_hmdb_metabocards_official NA NA +HMDB04964 Tetrahexosylceramide (d18:1/24:1(15Z)) C68H124N2O23 1336.8595 HMDB04964 PFEM_hmdb_metabocards_official NA NA +3609 NA GLLRRLRDFLKKIGEKFKKIGY~ 1338.3119 MH2+ Inhouse_peptide NA peptide +7718 NA SKWDNFRGSWG 1338.5968 antioxidative Inhouse_peptide NA peptide +HMDB04909 Ganglioside GA1 (d18:1/24:0) C68H126N2O23 1338.87512 http://www.hmdb.ca/metabolites/HMDB04909 HMDB NA NA +HMDB04967 Tetrahexosylceramide (d18:1/24:0) C68H126N2O23 1338.87512 http://www.hmdb.ca/metabolites/HMDB04967 HMDB NA NA +HMDB04909 Ganglioside GA1 (d18:1/24:0) C68H126N2O23 1338.87512 HMDB04909 PFEM_hmdb_metabocards_official NA NA +HMDB04967 Tetrahexosylceramide (d18:1/24:0) C68H126N2O23 1338.87512 HMDB04967 PFEM_hmdb_metabocards_official NA NA +HMDB04909 Ganglioside GA1 (d18:1/24:0) C68H126N2O23 1338.875122 NA HMDB2010 NA NA +HMDB04967 Tetrahexosylceramide (d18:1/24:0) C68H126N2O23 1338.875122 NA HMDB2010 NA NA +C15964 Thermobiszeaxanthin-15-15 C82H132O14 1340.9617 NA KEGG NA NA +FL7AACGL0084 Cyanidin 3-O-[2-O-(2-O-(sinapoyl)-bata-D-xylopyranosyl) 6-O-(4-O-(beta-D-glucopyranosyl)-p-coumaroyl-bata-D-glucopyranoside] 5-O-[6-O-(malonyl) bata-D-glucopyranoside] C61H67O34 1343.3513 - knapsack NA NA +HMDB02274 Methylcobalamin C63H91CoN13O14P 1343.587769 NA HMDB2010 NA NA +HMDB02274 Methylcobalamin C63H91CoN13O14P 1343.58777 http://www.hmdb.ca/metabolites/HMDB02274 HMDB NA NA +HMDB02274 Methylcobalamin C63H91CoN13O14P 1343.58777 HMDB02274 PFEM_hmdb_metabocards_official NA NA +EUR079 Methylcobalamin C63H91CoN13O14P 1343.587799 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR079 Methylcobalamin C63H91CoN13O14P 1343.587799 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR079 Methylcobalamin C63H91CoN13O14P 1343.587799 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR079 Methylcobalamin C63H91CoN13O14P 1343.587799 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR079 Methylcobalamin C63H91CoN13O14P 1343.587799 Wishlist HMDB NA NA +EUR079 Methylcobalamin C63H91CoN13O14P 1343.587799 Wishlist Inhouse_PFEM NA NA +EUR079 Methylcobalamin C63H91CoN13O14P 1343.587799 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR079 Methylcobalamin C63H91CoN13O14P 1343.587799 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR079 Methylcobalamin C63H91CoN13O14P 1343.5878 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR079 Methylcobalamin C63H91CoN13O14P 1343.5878 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR079 Methylcobalamin C63H91CoN13O14P 1343.5878 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR079 Methylcobalamin C63H91CoN13O14P 1343.5878 Wishlist Inhousejuil11 NA NA +C06453 Methylcobalamin C63H91CoN13O14P 1343.5878 NA KEGG NA NA +HMDB06559 Heptaglutamyl folic acid C54H68N14O27 1344.437866 NA HMDB2010 NA NA +HMDB06559 Heptaglutamyl folic acid C54H68N14O27 1344.43787 http://www.hmdb.ca/metabolites/HMDB06559 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB06559 Heptaglutamyl folic acid C54H68N14O27 1344.43787 http://www.hmdb.ca/metabolites/HMDB06559 HMDB NA NA +HMDB06559 Heptaglutamyl folic acid C54H68N14O27 1344.43787 http://www.hmdb.ca/metabolites/HMDB06559 PFEM_hmdb_metabocards_blood NA blood +HMDB06559 Heptaglutamyl folic acid C54H68N14O27 1344.43787 HMDB06559 PFEM_hmdb_metabocards_official NA NA +7029 synthetic peptide from alpha-gliadin PSSQVSFQQPLQ 1344.652 antioxidative Inhouse_peptide NA peptide +MetaCyc04425 aquacob(III)alamin [aquacobalamin;] C62H89N13O15P1COBALT1 1345.567071 13422-52-1 metacyc NA NA +C08230 Hydroxocobalamin C62H89CoN13O15P 1345.5671 NA KEGG NA NA +C08231 Transferred to D01028 C62H89CoN13O15P 1345.5671 NA KEGG NA NA +HMDB02308 Hydroxycobalamin C62H90CoN13O15P 1346.57483 http://www.hmdb.ca/metabolites/HMDB02308 HMDB NA NA +HMDB02308 Hydroxycobalamin C62H90CoN13O15P 1346.57483 HMDB02308 PFEM_hmdb_metabocards_official NA NA +C00992 Aquacob(III)alamin C62H90CoN13O15P 1346.5749 NA KEGG NA NA +HMDB02308 Hydroxycobalamin C62H90CoN13O15P 1346.574951 NA HMDB2010 NA NA +HMDB03458 Aquacobalamin C62H90CoN13O15P 1346.574951 NA HMDB2010 NA NA +5489 clavanin B VFQFLGRIIHHVGNFVHGFSHVF 1346.6964 MH2+ Inhouse_peptide NA peptide +2674 substance P RPKPQQFFGLM~ 1346.7124 NA Inhouse_peptide NA peptide +HMDB01897 Substance P C63H98N18O13S 1346.728149 NA HMDB2010 NA NA +HMDB01897 Substance P C63H98N18O13S 1346.72815 http://www.hmdb.ca/metabolites/HMDB01897 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB01897 Substance P C63H98N18O13S 1346.72815 http://www.hmdb.ca/metabolites/HMDB01897 HMDB NA NA +HMDB01897 Substance P C63H98N18O13S 1346.72815 NA ;SYN:(2R)-2-aminopentanedioate; (2R)-2-aminopentanedioic acid; (R)-2-aminopentanedioate; (R)-2-aminopentanedioic acid; D-2-Aminoglutarate; D-2-Aminoglutaric acid; D-2-Aminopentanedioate; D-2-Aminopentanedioic acid; D-Glutamate; D-Glutamic acid; D-Glutaminate; D-Glutaminic acid; D-Glutaminsaeure; DGL; Lopac-G-2128; R-(-)-Glutamate; R-(-)-Glutamic acid; Tocris-0217; glutamate; glutamic acid D-form; Lopac-gamma-2128; delta-2-Aminoglutarate; delta-2-Aminoglutaric acid; delta-2-Aminopentanedioate; delta-2-Aminopentanedioic acid; delta-Glutamate; delta-Glutamic acid; delta-Glutaminate; delta-Glutaminic acid; delta-GlutaminsaeureH2Blood; Urine Inhouse_peptide NA peptide +HMDB01897 Substance P C63H98N18O13S 1346.72815 http://www.hmdb.ca/metabolites/HMDB01897 PFEM_hmdb_metabocards_blood NA blood +HMDB01897 Substance P C63H98N18O13S 1346.72815 HMDB01897 PFEM_hmdb_metabocards_official NA NA +MetaCyc04426 undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate pyrophosphate [Undecaprenyl-diphospho-N-acetylglucosamine-N-acetylmannosaminuronate;lipid II;ManNAcA-GlcNAc-PP-lipid;C55-PP-GlcNAc-ManNAcA;ManNAcA-GlcNAc-pyrophosphorylundecaprenol;] C71H116N2O18P2 1346.769838 NA metacyc NA NA +HMDB12306 Undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate pyrophosphate C71H116N2O18P2 1346.769897 NA HMDB2010 NA NA +HMDB03458 Aquacobalamin C62H91CoN13O15P 1347.58276 http://www.hmdb.ca/metabolites/HMDB03458 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB03458 Aquacobalamin C62H91CoN13O15P 1347.58276 http://www.hmdb.ca/metabolites/HMDB03458 HMDB NA NA +HMDB03458 Aquacobalamin C62H91CoN13O15P 1347.58276 http://www.hmdb.ca/metabolites/HMDB03458 PFEM_hmdb_metabocards_blood NA blood +HMDB03458 Aquacobalamin C62H91CoN13O15P 1347.58276 HMDB03458 PFEM_hmdb_metabocards_official NA NA +MetaCyc04427 dolichyl β-D-mannosyl phosphate [dolichol monophosphate mannose;β-D-mannopyranose, 1-ester with dolichol dihydrogen phosphate;D-mannose, ester with dolichol dihydrogen phosphate;mannosyl phosphoryl dolichol;mannolipid;dolichyl mannosyl phosphate;dolichyl mannopyranosyl phosphate;dolichol, β-D-mannopyranose deriv.;dolichyl phosphate D-mannose;dolichyl D-mannosyl phosphate;] C86H143O9P1 1351.046973 55598-56-6 metacyc NA NA +MetaCyc04428 dolichyl β-D-glucosyl phosphate [] C86H143O9P1 1351.046973 NA metacyc NA NA +HMDB12218 Dolichyl beta-D-mannosyl phosphate C86H143O9P 1351.046997 NA HMDB2010 NA NA +3871 vespa-like peptide from R, Erythraea FLPILGKILGGLL~ 1351.881 neuropeptide Inhouse_peptide NA peptide +7444 coeliac toxic peptide QGQQGYYPTSPQ 1352.583 antioxidative Inhouse_peptide NA peptide +HMDB04910 Ganglioside GA1 (d18:1/25:0) C69H128N2O23 1352.890747 NA HMDB2010 NA NA +HMDB04968 Tetrahexosylceramide (d18:1/25:0) C69H128N2O23 1352.890747 NA HMDB2010 NA NA +HMDB04910 Ganglioside GA1 (d18:1/25:0) C69H128N2O23 1352.89075 http://www.hmdb.ca/metabolites/HMDB04910 HMDB NA NA +HMDB04968 Tetrahexosylceramide (d18:1/25:0) C69H128N2O23 1352.89075 http://www.hmdb.ca/metabolites/HMDB04968 HMDB NA NA +HMDB04910 Ganglioside GA1 (d18:1/25:0) C69H128N2O23 1352.89075 HMDB04910 PFEM_hmdb_metabocards_official NA NA +HMDB04968 Tetrahexosylceramide (d18:1/25:0) C69H128N2O23 1352.89075 HMDB04968 PFEM_hmdb_metabocards_official NA NA +C15686 Arthrofactin C64H111N11O20 1353.8007 NA KEGG NA NA +7758 Pleurocidin from Pleuronectes americanus GWGSFFKKAAHVGKHVGKAALTHYL~ 1354.2295 MH2+ Inhouse_peptide NA peptide +7761 Pleurocidin from Pleuronectes americanus GWGSFFKKAAHVGKHVGKAALTHYL~ 1354.2295 MH2+ Inhouse_peptide NA peptide +HMDB00607 Cyanocobalamin C63H88CoN14O14P 1354.567383 NA HMDB2010 NA NA +EUR081 Vitamin B12 C63H88CoN14O14P 1354.567398 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR081 Vitamin B12 C63H88CoN14O14P 1354.567398 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR081 Vitamin B12 C63H88CoN14O14P 1354.567398 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR081 Vitamin B12 C63H88CoN14O14P 1354.567398 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR081 Vitamin B12 C63H88CoN14O14P 1354.567398 Wishlist HMDB NA NA +EUR081 Vitamin B12 C63H88CoN14O14P 1354.567398 Wishlist Inhouse_PFEM NA NA +EUR081 Vitamin B12 C63H88CoN14O14P 1354.567398 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR081 Vitamin B12 C63H88CoN14O14P 1354.567398 Wishlist PFEM_hmdb_metabocards_official NA NA +EUR081 Vitamin B12 C63H88CoN14O14P 1354.5674 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR081 Vitamin B12 C63H88CoN14O14P 1354.5674 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR081 Vitamin B12 C63H88CoN14O14P 1354.5674 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR081 Vitamin B12 C63H88CoN14O14P 1354.5674 Wishlist Inhousejuil11 NA NA +C02823 Cyanocob(III)alamin C63H88CoN14O14P 1354.5674 NA KEGG NA NA +MetaCyc04429 cyanocob(III)alamin [cyanocobalamin;rubramin;vitamin B12;alphamine;crystamine;cyanoject;cyomin;cytamen;hydrobexan;rubesol;] C63H88N14O14P1COBALT1 1354.567405 68-19-9 metacyc NA NA +HMDB00607 Cyanocobalamin C63H89CoN14O14P 1355.5752 http://www.hmdb.ca/metabolites/HMDB00607 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB00607 Cyanocobalamin C63H89CoN14O14P 1355.5752 http://www.hmdb.ca/metabolites/HMDB00607 HMDB NA NA +HMDB00607 Cyanocobalamin C63H89CoN14O14P 1355.5752 http://www.hmdb.ca/metabolites/HMDB00607 PFEM_hmdb_metabocards_blood NA blood +HMDB00607 Cyanocobalamin C63H89CoN14O14P 1355.5752 HMDB00607 PFEM_hmdb_metabocards_official NA NA +8297 ACE inhibitor MNVKHWPWMK 1355.6477 NA ;SYN:(3,5-diiodo-4-(-p-hydroxyphenoxy)phenyl)-Alanine; 3',5'-diiodothyronine; 3,5-Diiodo-D-thyronine; 3,5-Diiodo-DL-thyronine; 3,5-Diiodo-L-thyronine; 3,5-Diiodo-dl-thryronine; 3,5-Diiodothyronine; DL-3,5-Diiodothyronine; 3,5-T2; 4-(4-Hydroxyphenoxy)-3,5-diiodophenylalanine; D-O-(4-hydroxyphenyl)-3,5-diiodo-Tyrosine; Diiodo-L-thyronine; Diiodothyronine; L-3,5-Diiodothyronine; L-O-(4-hydroxyphenyl)-3,5-diiodo-Tyrosine; O-(4-hydroxyphenyl)-3,5-diiodo-Tyrosine; DL-DiiodothyronineH2Blood; Urine Inhouse_peptide NA peptide +7034 synthetic peptide from alpha-gliadin QGSVQPQQLPQF 1355.667 antioxidative Inhouse_peptide NA peptide +HMDB04938 Ganglioside GM2 (d18:1/16:0) C65H117N3O26 1355.79248 http://www.hmdb.ca/metabolites/HMDB04938 HMDB NA NA +HMDB04938 Ganglioside GM2 (d18:1/16:0) C65H117N3O26 1355.79248 HMDB04938 PFEM_hmdb_metabocards_official NA NA +HMDB04938 Ganglioside GM2 (d18:1/16:0) C65H117N3O26 1355.79248 NA HMDB2010 NA NA +3067 human endothelin III CTCFTYKDKECVYYCHLDIIW 1356.5459 MH2+ Inhouse_peptide NA peptide +3138 esculentin RTGIDIAGCKIKGEC 1356.7568 celiac toxic Inhouse_peptide NA peptide +HMDB11896 Ganglioside GM2 (d18:0/16:0) C66H120N2O26 1356.812988 NA HMDB2010 NA NA +5511 clavanin D AFKLLGRIIHHVGNFVYGFSHVFG 1357.21995 MH2+ Inhouse_peptide NA peptide +HMDB12256 Mannosyl-diinositol-phosphorylceramide C62H121NO26P2 1357.765259 NA HMDB2010 NA NA +3661 NA LQGCTLRAWRAGMC 1358.7104 ACE inhibitor Inhouse_peptide NA peptide +2757 rat NP-4 defensin ACYCRIGACVSGERLTGACGLNGRIYRLCCR 1359.2495 MH2+ Inhouse_peptide NA peptide +3994 f(1-11) of bovine lactoferrin APRKNVRWCTI 1359.7059 antioxidative Inhouse_peptide NA peptide +7726 NA RIGKMVSFPRIG 1359.7664 antioxidative Inhouse_peptide NA peptide +5390 dermaseptin B6 ALWKDILKNAGKAALNEINQLVNQG 1360.23975 MH2+ Inhouse_peptide NA peptide +3884 temporin C LLPILGNLLNGLL~ 1360.8678 neuropeptide Inhouse_peptide NA peptide +2963 maculatin 3,1, from Litoria genimaculata GLLQTIKEKLESLESLAKGIVSGIQA~ 1361.78005 MH2+ Inhouse_peptide NA peptide +HMDB06668 O-(N-acetyl-alpha-neuraminosyl)-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-Gluc C51H85N3O39 1363.47607 http://www.hmdb.ca/metabolites/HMDB06668 HMDB NA NA +HMDB06668 O-(N-acetyl-alpha-neuraminosyl)-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-Gluc C51H85N3O39 1363.47607 HMDB06668 PFEM_hmdb_metabocards_official NA NA +HMDB06668 O-(N-acetyl-a-neuraminosyl)-(2->3)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)- D-Gluc C51H85N3O39 1363.476074 NA HMDB2010 NA NA +HMDB05823 Difucosyllacto-N-hexaose I C52H88N2O39 1364.49646 http://www.hmdb.ca/metabolites/HMDB05823 HMDB NA NA +HMDB06616 Difucosyl-para-N-hexaose C52H88N2O39 1364.49646 http://www.hmdb.ca/metabolites/HMDB06616 HMDB NA NA +HMDB06618 Difucosyllactohexaose C52H88N2O39 1364.49646 http://www.hmdb.ca/metabolites/HMDB06618 HMDB NA NA +HMDB06619 Difucosyllacto-N-hexaose b C52H88N2O39 1364.49646 http://www.hmdb.ca/metabolites/HMDB06619 HMDB NA NA +HMDB06622 Difucosyllacto-N-hexaose a C52H88N2O39 1364.49646 http://www.hmdb.ca/metabolites/HMDB06622 HMDB NA NA +HMDB06694 Difucosyllacto-N-hexaose C52H88N2O39 1364.49646 http://www.hmdb.ca/metabolites/HMDB06694 HMDB NA NA +HMDB05823 Difucosyllacto-N-hexaose I C52H88N2O39 1364.49646 HMDB05823 PFEM_hmdb_metabocards_official NA NA +HMDB06616 Difucosyl-para-N-hexaose C52H88N2O39 1364.49646 HMDB06616 PFEM_hmdb_metabocards_official NA NA +HMDB06618 Difucosyllactohexaose C52H88N2O39 1364.49646 HMDB06618 PFEM_hmdb_metabocards_official NA NA +HMDB06619 Difucosyllacto-N-hexaose b C52H88N2O39 1364.49646 HMDB06619 PFEM_hmdb_metabocards_official NA NA +HMDB06622 Difucosyllacto-N-hexaose a C52H88N2O39 1364.49646 HMDB06622 PFEM_hmdb_metabocards_official NA NA +HMDB06694 Difucosyllacto-N-hexaose C52H88N2O39 1364.49646 HMDB06694 PFEM_hmdb_metabocards_official NA NA +HMDB05823 Difucosyllacto-N-hexaose I C52H88N2O39 1364.49646 NA HMDB2010 NA NA +HMDB06616 Difucosyl-para-N-hexaose C52H88N2O39 1364.49646 NA HMDB2010 NA NA +HMDB06618 Difucosyllactohexaose C52H88N2O39 1364.49646 NA HMDB2010 NA NA +HMDB06619 Difucosyllacto-N-hexaose b C52H88N2O39 1364.49646 NA HMDB2010 NA NA +HMDB06622 Difucosyllacto-N-hexaose a C52H88N2O39 1364.49646 NA HMDB2010 NA NA +HMDB06694 Difucosyllacto-N-hexaose C52H88N2O39 1364.49646 NA HMDB2010 NA NA +3894 temporin H LSPVIGNLLKSLL~ 1364.8619 neuropeptide Inhouse_peptide NA peptide +HMDB04907 Ganglioside GA1 (d18:1/26:1(17Z)) C70H128N2O23 1364.890747 NA HMDB2010 NA NA +HMDB04965 Tetrahexosylceramide (d18:1/26:1(17Z)) C70H128N2O23 1364.890747 NA HMDB2010 NA NA +HMDB04907 Ganglioside GA1 (d18:1/26:1(17Z)) C70H128N2O23 1364.89075 http://www.hmdb.ca/metabolites/HMDB04907 HMDB NA NA +HMDB04965 Tetrahexosylceramide (d18:1/26:1(17Z)) C70H128N2O23 1364.89075 http://www.hmdb.ca/metabolites/HMDB04965 HMDB NA NA +HMDB04907 Ganglioside GA1 (d18:1/26:1(17Z)) C70H128N2O23 1364.89075 HMDB04907 PFEM_hmdb_metabocards_official NA NA +HMDB04965 Tetrahexosylceramide (d18:1/26:1(17Z)) C70H128N2O23 1364.89075 HMDB04965 PFEM_hmdb_metabocards_official NA NA +7805 ACE inhibitor from as2-casein ALNEINQFYQK 1366.6738 ACE inhibitor Inhouse_peptide NA peptide +HMDB04908 Ganglioside GA1 (d18:1/26:0) C70H130N2O23 1366.90649 http://www.hmdb.ca/metabolites/HMDB04908 HMDB NA NA +HMDB04966 Tetrahexosylceramide (d18:1/26:0) C70H130N2O23 1366.90649 http://www.hmdb.ca/metabolites/HMDB04966 HMDB NA NA +HMDB04908 Ganglioside GA1 (d18:1/26:0) C70H130N2O23 1366.90649 HMDB04908 PFEM_hmdb_metabocards_official NA NA +HMDB04966 Tetrahexosylceramide (d18:1/26:0) C70H130N2O23 1366.90649 HMDB04966 PFEM_hmdb_metabocards_official NA NA +HMDB04908 Ganglioside GA1 (d18:1/26:0) C70H130N2O23 1366.906494 NA HMDB2010 NA NA +HMDB04966 Tetrahexosylceramide (d18:1/26:0) C70H130N2O23 1366.906494 NA HMDB2010 NA NA +C11469 Calicheamicin gamma(1)I C55H74IN3O21S4 1367.2742 NA KEGG NA NA +3759 NA GLLRRLRDFLKKIGEKFKKIGYG 1367.31445 MH2+ Inhouse_peptide NA peptide +3890 temporin F FLPLIGKVLSGIL~ 1367.876 neuropeptide Inhouse_peptide NA peptide +8148 peptide derived from rice bran proteins (Oryza sativa) YFPVGGDRPESF 1369.6149 ACE inhibitor Inhouse_peptide NA peptide +3271 NA VTGRGDSPASSKPI 1370.7 celiac toxic Inhouse_peptide NA peptide +3249 bombinin GIFFALLSAAKVGLKGLAKGLAEHFAN 1371.2694 MH2+ Inhouse_peptide NA peptide +7028 synthetic peptide from alpha-gliadin QKQQQQPSSQVS 1371.658 antioxidative Inhouse_peptide NA peptide +5448 caeridin 7,1 GLLDMVTGLLGNLG 1371.7292 ACE inhibitor Inhouse_peptide NA peptide +2903 neuropeptide from eyestalk of Macrobrachium rosenb ANRSPSLRLRFG 1372.7559 antibacterial Inhouse_peptide NA peptide +7766 Pleurocidin analogue from Pleuronectes americanus SWSSFFKKAAHSGKHVGKSASTHYL~ 1373.194 MH2+ Inhouse_peptide NA peptide +7769 Pleurocidin analogue from Pleuronectes americanus SWSSFFKKAAHSGKHVGKSASTHYL~ 1373.194 MH2+ Inhouse_peptide NA peptide +5526 hepcidin 20 (LEAP-1) ICIFCCGCCHRSKCGMCCKT 1373.7444 antioxidative Inhouse_peptide NA peptide +C12131 Anemone blue anthocyanin 2 C60H63O37 1375.3048 NA KEGG NA NA +FL7AAGGA0013 Delphinidin 3-O-[2-O-(2-O-(trans-caffeoyl)-beta-D-glucopyranosyl)-6-O-(malonyl)-beta-D-galactopyranoside]-7-O-[6-O-(trans-caffeoyl)-beta-D-glucopyranoside]-3'-O-[beta-D-glucuronopyranoside] C60H63O37 1375.3048 462122-45-8 knapsack NA NA +3886 temporin D LLPIVGNLLNSLL~ 1376.8628 neuropeptide Inhouse_peptide NA peptide +3888 temporin E VLPIIGNLLNSLL~ 1376.8628 neuropeptide Inhouse_peptide NA peptide +7002 synthetic peptide from alpha-gliadin PSQQQPQEQVPL 1377.672 antioxidative Inhouse_peptide NA peptide +7004 synthetic peptide from alpha-gliadin VQQQQPLGQQQP 1377.683 antioxidative Inhouse_peptide NA peptide +7005 synthetic peptide from alpha-gliadin VQQQQPLGQQQP 1377.683 antioxidative Inhouse_peptide NA peptide +2822 PEP inhibitor PPPPGGPQPRPPQG 1377.696 NA Inhouse_peptide NA peptide +3072 human defensin HNP-2 CYCRIPACIAGERRYGTCIYQGRLWAFCC 1378.2245 MH2+ Inhouse_peptide NA peptide +3824 NA KLKLLLLLKLKG 1378.985 ACE inhibitor Inhouse_peptide NA peptide +5374 dermaseptin B5 GLWNKIKEAASKAAGKAALGFVNEMVG 1379.7296 MH2+ Inhouse_peptide NA peptide +C08967 Phaseoloside D C65H104O31 1380.6562 NA KEGG NA NA +HMDB11910 Ganglioside GM2 (d18:1/18:1(11Z)) C68H120N2O26 1380.812988 NA HMDB2010 NA NA +3035 isracidin RPKHPIKHQGLPQEVLNENLLRF 1381.2624 MH2+ Inhouse_peptide NA peptide +8171 isracidin - peptide derived from aS1-casein (1-23) RPKHPIKHQGLPQEVLNENLLRF 1381.2624 MH2+ Inhouse_peptide NA peptide +HMDB05176 Dolichol-20 C100H164O 1381.278198 NA HMDB2010 NA NA +HMDB05176 Dolichol-20 C100H164O 1381.2782 http://www.hmdb.ca/metabolites/HMDB05176 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB05176 Dolichol-20 C100H164O 1381.2782 http://www.hmdb.ca/metabolites/HMDB05176 HMDB NA NA +HMDB05176 Dolichol-20 C100H164O 1381.2782 http://www.hmdb.ca/metabolites/HMDB05176 PFEM_hmdb_metabocards_blood NA blood +HMDB05176 Dolichol-20 C100H164O 1381.2782 HMDB05176 PFEM_hmdb_metabocards_official NA NA +HMDB04937 Ganglioside GM2 (d18:1/9Z-18:1) C67H119N3O26 1381.808228 NA HMDB2010 NA NA +HMDB04937 Ganglioside GM2 (d18:1/9Z-18:1) C67H119N3O26 1381.80823 http://www.hmdb.ca/metabolites/HMDB04937 HMDB NA NA +HMDB04937 Ganglioside GM2 (d18:1/9Z-18:1) C67H119N3O26 1381.80823 HMDB04937 PFEM_hmdb_metabocards_official NA NA +HMDB11898 Ganglioside GM2 (d18:0/18:1(11Z)) C68H122N2O26 1382.828613 NA HMDB2010 NA NA +HMDB11899 Ganglioside GM2 (d18:0/18:1(9Z)) C68H122N2O26 1382.828613 NA HMDB2010 NA NA +7759 Pleurocidin from Pleuronectes americanus GWGSFFKKAAHVGKHVGKAALTHYLG 1383.232 MH2+ Inhouse_peptide NA peptide +7760 Pleurocidin from Pleuronectes americanus GWGSFFKKAAHVGKHVGKAALTHYLG 1383.232 MH2+ Inhouse_peptide NA peptide +7800 ACE inhibitor from alpha s1-casein FFVAPFPEVFGK 1383.706 ACE inhibitor Inhouse_peptide NA peptide +8311 Anticancer peptide FFVAPFPEVFGK 1383.706 Aliphatic glycine conjugates ;SYN:2-(3-methylbutanoylamino)ethanoate; 2-(3-methylbutanoylamino)ethanoic acid; Isovalerylglycine; N-Isovaleroylglycine; N-isovaleryl-glycine; [(3-methylbutanoyl)amino]acetate; [(3-methylbutanoyl)amino]acetic acid;3-methylbutyrylglycineH2Blood; Urine Inhouse_peptide NA peptide +HMDB04939 Ganglioside GM2 (d18:1/18:0) C67H121N3O26 1383.82385 http://www.hmdb.ca/metabolites/HMDB04939 HMDB NA NA +HMDB04939 Ganglioside GM2 (d18:1/18:0) C67H121N3O26 1383.82385 HMDB04939 PFEM_hmdb_metabocards_official NA NA +HMDB04939 Ganglioside GM2 (d18:1/18:0) C67H121N3O26 1383.823853 NA HMDB2010 NA NA +HMDB11897 Ganglioside GM2 (d18:0/18:0) C68H124N2O26 1384.844238 NA HMDB2010 NA NA +3337 human beta-casein fr, 50-61 HPFAQTQSLVYP 1386.677 celiac toxic Inhouse_peptide NA peptide +3227 Bradykinin-potentiating peptide EGGWPRPGPEIPP 1387.671 celiac toxic Inhouse_peptide NA peptide +7019 synthetic peptide from alpha-gliadin LQQHNIAHGRSQ 1387.6919 antioxidative Inhouse_peptide NA peptide +HMDB04911 Ganglioside GD3 (d18:1/12:0) C64H113N3O29 1387.74597 http://www.hmdb.ca/metabolites/HMDB04911 HMDB NA NA +HMDB04911 Ganglioside GD3 (d18:1/12:0) C64H113N3O29 1387.74597 HMDB04911 PFEM_hmdb_metabocards_official NA NA +HMDB04911 Ganglioside GD3 (d18:1/12:0) C64H113N3O29 1387.745972 NA HMDB2010 NA NA +3194 crabolin-like from skin of frog Rana esculenta FLPAIAGILSQLF~ 1387.809 celiac toxic Inhouse_peptide NA peptide +5414 dermaseptin 4 ALWMTLLKKVLKAAAKALNAVLVGANA 1388.82655 MH2+ Inhouse_peptide NA peptide +FL7AACGL0100 Cyanidin 3-O-[2-O-(6-O-E-coumaroyl-beta-D-glucopyanosyl)]-{6-O-[4-O-(6-O-E-coumaroyl-beta-D-glucopyranosyl)-E-caffeoyl]-beta-D-glucopyranosyl}-5-O-beta-D-glucopyranoside C66H69O33 1389.3721 651731-55-4 knapsack NA NA +FL7AAGGL0033 Delphinidin 3-glucoside-7,3',5'-tri(6-O-p-coumaroyl-beta-glucoside) C66H69O33 1389.3721 395680-64-5 knapsack NA NA +HMDB11856 Ganglioside GD3 (d18:0/12:0) C64H115N3O29 1389.761597 NA HMDB2010 NA NA +2933 NA RSSCFGGRIDRIGAC 1390.7299 celiac toxic Inhouse_peptide NA peptide +2964 maculatin 3,1, from Litoria genimaculata GLLQTIKEKLESLESLAKGIVSGIQAG 1390.78245 MH2+ Inhouse_peptide NA peptide +3882 temporin B LLPIVGNLLKSLL~ 1390.9139 neuropeptide Inhouse_peptide NA peptide +3896 temporin K LLPVIGNLLKSLL~ 1390.9139 neuropeptide Inhouse_peptide NA peptide +HMDB06677 Neu5Aca2-3Galb1-3GlcN(Neu5Aca2-6)(Fuca1-4)Acb1-3Galb1-4Glc C53H89N3O39 1391.50732 http://www.hmdb.ca/metabolites/HMDB06677 HMDB NA NA +HMDB06677 Neu5Aca2-3Galb1-3GlcN(Neu5Aca2-6)(Fuca1-4)Acb1-3Galb1-4Glc C53H89N3O39 1391.50732 HMDB06677 PFEM_hmdb_metabocards_official NA NA +HMDB06677 Neu5Aca2-3Galb1-3GlcN(Neu5Aca2-6)(Fuca1-4)Acb1-3Galb1-4Glc C53H89N3O39 1391.507324 NA HMDB2010 NA NA +7001 synthetic peptide from alpha-gliadin QLQPQNPSQQQP 1391.6629 antioxidative Inhouse_peptide NA peptide +MetaCyc04430 dolichyl N-acetyl-α-D-glucosaminyl phosphate [] C88H146N1O9P1 1392.073522 NA metacyc NA NA +7036 synthetic peptide from alpha-gliadin EEIRNLALQTLP 1395.7579 antioxidative Inhouse_peptide NA peptide +7781 peptide from human immunodefficiency virus-1* GRKKRRQRRR 1395.873 antioxidative Inhouse_peptide NA peptide +3880 temporin A FLPLIGRVLSGIL~ 1395.8829 neuropeptide Inhouse_peptide NA peptide +5384 Brevinin-2ED GILDSLKNLAKNAGQILLNKASCKLSGQC 1396.7948 MH2+ Inhouse_peptide NA peptide +C04724 D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid C73H122O21P2 1396.7954 NA KEGG NA NA +C04725 Oligosaccharide containing 6-methyl-D-glucose units C73H122O21P2 1396.7954 NA KEGG NA NA +C04726 [3-Methyl-2-oxobutanoate dehydrogenase C4H6N2O3R2 1396.7954 NA KEGG NA NA +C04727 [Propionyl-CoA:carbon-dioxide ligase (ADP-forming)] C17H27N5O4SR2 1396.7954 NA KEGG NA NA +C04728 tRNA containing 5-methylaminomethyl-2-thiouridylate C11H18N3O8PS 1396.7954 NA KEGG NA NA +3439 NA KWKLFKKIGIGAVLKVLTTGLPALIS 1396.87 MH2+ Inhouse_peptide NA peptide +7014 synthetic peptide from alpha-gliadin PQYSQPQQPISQ 1399.657 antioxidative Inhouse_peptide NA peptide +3193 crabolin-like from skin of frog Rana esculenta FLPLAIGLLGKLF~ 1399.881 celiac toxic Inhouse_peptide NA peptide +3876 vespa-like peptide from R, Esculenta FLPLIAGLLGKLF~ 1399.881 neuropeptide Inhouse_peptide NA peptide +3055 phosphopeptide b-casein fragment 1-25 RELEELNVPGEIVESLSSSEESITR 1400.6875 MH2+ Inhouse_peptide NA peptide +2697 NA GRVRDQIMLSLGG 1400.7423 celiac toxic Inhouse_peptide NA peptide +7780 peptide from Rhinovirus-2, VP-protein NPVENYIDEVLNEVLVVPNINSSNC 1401.65865 MH2+ Inhouse_peptide NA peptide +3660 NA EIPKTITGSETNL 1401.7189 ACE inhibitor Inhouse_peptide NA peptide +3672 NA CMGLSLRPWMLCAK 1401.7488 ACE inhibitor Inhouse_peptide NA peptide +7767 Pleurocidin analogue from Pleuronectes americanus SWSSFFKKAAHSGKHVGKSASTHYLG 1402.1965 MH2+ Inhouse_peptide NA peptide +7768 Pleurocidin analogue from Pleuronectes americanus SWSSFFKKAAHSGKHVGKSASTHYLG 1402.1965 MH2+ Inhouse_peptide NA peptide +7788 de novo designed peptide GALFLGFLGAAGSTMGAWSQPKKKRKV 1402.7632 MH2+ Inhouse_peptide NA peptide +2675 substance P RPKPQQFFGLMG 1404.7174 NA Inhouse_peptide NA peptide +MetaCyc04431 lipid IVA [2,3,2'3'-Tetrakis(β-hydroxymyristoyl)-D-glucosaminyl-1,6-β-D-glucosamine 1,4'-bisphosphate;2,3,2',3'-tetrakis(3-hydroxymyristoyl)-D-glucosaminyl-1,6-β-D-glucosamine 1,4'-bisphosphate;2,3,2',3'-tetrakis-(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-β-D-glucosamine-1,4'-bisphosphate;[2-N,3-O-bis(3-hydroxytetradecanoyl)-4-O-phosphono-β-D-glucosaminyl]-(1 => 6)-[2-N,3-O-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl phosphate];] C68H130N2O23P2 1404.853962 NA metacyc NA NA +C04919 2,3,2'3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D- C68H130N2O23P2 1404.854 NA KEGG NA NA +C04920 6-Sulfo-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,6-alpha-D-glucosyl- C22H36O22SR2 1404.854 NA KEGG NA NA +C04922 beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D- C45H79N2O23R 1404.854 NA KEGG NA NA +FL7AAGGL0058 Preternatin A3 C63H73O36 1405.3881 215378-82-8 knapsack NA NA +7026 synthetic peptide from alpha-gliadin HNVVHAIILHQQ 1407.7579 antioxidative Inhouse_peptide NA peptide +3572 NA FHSGIQSEPKAIP 1409.714 ACE inhibitor Inhouse_peptide NA peptide +8289 Antioxidative peptide GPLGLLGFLGPLGLS 1409.813 NA ;SYN:(3R)-LS-Isoleucine; 2-amino-3-methyl-[S-(R*,S*)]-Pentanoate; 2-amino-3-methyl-[S-(R*,S*)]-Pentanoic acid; Allo-L-Isoleucine; Allo-Isoleucine; L(+)-Alloisoleucine; L-allo-Isoleucine; L-alloisoleucine; [S-(R*,S*)]-2-Amino-3-methylpentanoate; [S-(R*,S*)]-2-Amino-3-methylpentanoic acid; threo-3-methyl-L-Norvaline; threo-L-Isoleucine; (2S,3R)-2-amino-3-methylpentanoic acid; (2S,3R)-2-amino-3-methylpentanoateH2Blood Inhouse_peptide NA peptide +8290 ACE inhibitor GPLGLLGFLGPLGLS 1409.813 NA ;SYN:4-(2-amino-2-carboxyethyl)-1-(5-amino-5-carboxypentyl)-3-(3-amino-3-carboxypropyl)-5-hydroxy-Pyridinium inner salt stereoisomer; deoxipyridinoline; deoxy-pyridinoline; deoxypiridinoline; deoxypirydynoline; deoxypyridinolone; deoxypyridoline; desoxypyridinoline; Lysylpyridinoline; N-(5-Amino-5-carboxypentyl)-3-hydroxy-4-(2-amino-2-carboxyethyl)-5-(3-amino-3-carboxypropyl)pyridineH2Blood; Urine Inhouse_peptide NA peptide +3872 vespa-like peptide from R, Erythraea FLPILGKILGGLLG 1409.886 neuropeptide Inhouse_peptide NA peptide +3076 hirudin (55-65) DFEEIPEEYLQ 1410.6039 celiac toxic Inhouse_peptide NA peptide +7022 synthetic peptide from alpha-gliadin YQLLQELCQQHL 1411.731 antioxidative Inhouse_peptide NA peptide +3005 kinases inhibitor KKALARQEAVDAL 1411.7999 anticancer Inhouse_peptide NA peptide +3019 kinases inhibitor KKALRAQEAVDAL 1411.7999 celiac toxic Inhouse_peptide NA peptide +HMDB04940 Ganglioside GM2 (d18:1/20:0) C69H125N3O26 1411.8551 http://www.hmdb.ca/metabolites/HMDB04940 HMDB NA NA +HMDB04940 Ganglioside GM2 (d18:1/20:0) C69H125N3O26 1411.8551 HMDB04940 PFEM_hmdb_metabocards_official NA NA +HMDB04940 Ganglioside GM2 (d18:1/20:0) C69H125N3O26 1411.855103 NA HMDB2010 NA NA +7007 synthetic peptide from alpha-gliadin YPQPQPFPSQQP 1412.655 antioxidative Inhouse_peptide NA peptide +7467 coeliac toxic peptide PQPQPFPSQQPY 1412.655 antioxidative Inhouse_peptide NA peptide +5452 caeridin 5 GLLGMVGSLLGGLGLG 1412.7914 ACE inhibitor Inhouse_peptide NA peptide +HMDB11900 Ganglioside GM2 (d18:0/20:0) C70H128N2O26 1412.875488 NA HMDB2010 NA NA +3945 mytilin A from Mytilum edulis GCASRCKAKCAGRRCJGWASASFRGRCYCKCFRC 1413.2655 MH2+ Inhouse_peptide NA peptide +3073 human defensin HNP-1 ACYCRIPACIAGERRYGTCIYQGRLWAFCC 1413.74305 MH2+ Inhouse_peptide NA peptide +C06854 Bleomycin A2 C55H84N17O21S3 1414.519 NA KEGG NA NA +HMDB11871 Ganglioside GD3 (d18:1/14:0) C66H117N3O29 1415.777222 NA HMDB2010 NA NA +HMDB11857 Ganglioside GD3 (d18:0/14:0) C66H119N3O29 1417.792969 NA HMDB2010 NA NA +3885 temporin C LLPILGNLLNGLLG 1418.8728 neuropeptide Inhouse_peptide NA peptide +5415 dermaseptin 5 GLWSKIKTAGKSVAKAAAKAAVKAVTNAV 1419.32945 MH2+ Inhouse_peptide NA peptide +7790 de novo designed peptide from transportan GWTLNSAGYLLGKINLKALAALAKKIL 1419.8434 MH2+ Inhouse_peptide NA peptide +5437 lycotoxin 1 IWLTALKFLGKHAAKHLAKQQLSKL 1421.34255 MH2+ Inhouse_peptide NA peptide +FL7AACGL0099 Cyanidin 3-O-[2-O-(6-O-E-caffeoyl-beta-D-glucopyanosyl)]-{6-O-[4-O-(6-O-E-3,5-dihydroxycinnamoyl-beta-D-glucopyranosyl)-E-caffeoyl]-beta-D-glucopyranosyl}-5-O-beta-D-glucopyranoside C66H69O35 1421.3619 651731-54-3 knapsack NA NA +C15482 Bacitracin A C66H103N17O16S 1421.7489 NA KEGG NA NA +C15483 D-Galactonolactone C66H103N17O16S 1421.7489 NA KEGG NA NA +7000 synthetic peptide from alpha-gliadin VRFPVPQLQPQN 1421.7619 antioxidative Inhouse_peptide NA peptide +2948 mellitin from venom of honey bee(Apis mellifera) GIGAVLKVLTTGLPALISWIKRKRQQ~ 1422.36695 MH2+ Inhouse_peptide NA peptide +2949 mellitin from venom of honey bee(Apis mellifera) GIGAVLKVLTTGLPALISWIKRKRQQ~ 1422.36695 MH2+ Inhouse_peptide NA peptide +C08889 Capsicoside A C63H106O35 1422.6515 NA KEGG NA NA +7006 synthetic peptide from alpha-gliadin FPPQQPYPQPQP 1422.675 antioxidative Inhouse_peptide NA peptide +7015 synthetic peptide from alpha-gliadin QQPISQQILQQI 1422.768 antioxidative Inhouse_peptide NA peptide +7785 peptide from honey bee venom GIGAVLKVLTTGLPALISWIKRKRQQ 1422.859 MH2+ Inhouse_peptide NA peptide +3895 temporin H LSPVIGNLLKSLLG 1422.8669 neuropeptide Inhouse_peptide NA peptide +3897 temporin K LLPVIGNLLKSSLG 1422.8669 neuropeptide Inhouse_peptide NA peptide +HMDB10245 CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z)) C79H140O17P2 1422.956543 NA HMDB2010 NA NA +FL7AACGL0082 Cyanidin 3-(6-malonylglucoside)-7,3'-bis[6-(4-glucosyl-p-hydroxybenzoyl)glucoside] C62H71O38 1423.3623 159690-24-1 knapsack NA NA +C13896 sn-Caldarchaeo-1-phosphoethanolamine C88H178NO9P 1424.3239 NA KEGG NA NA +C01895 Bleomycin B2 C55H84N20O21S2 1424.5561 NA KEGG NA NA +7730 NA TYRKPPFNGSIF~ 1424.7409 antioxidative Inhouse_peptide NA peptide +HMDB10237 CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/16:1(9Z)) C79H142O17P2 1424.972168 NA HMDB2010 NA NA +HMDB10241 CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)/16:1(9Z)) C79H142O17P2 1424.972168 NA HMDB2010 NA NA +HMDB10244 CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:0) C79H142O17P2 1424.972168 NA HMDB2010 NA NA +2992 kinases inhibitor KKALRRQECVDAL 1425.8269 anticancer Inhouse_peptide NA peptide +HMDB10229 CL(18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)/16:1(9Z)) C79H144O17P2 1426.987915 NA HMDB2010 NA NA +HMDB10231 CL(18:2(9Z,12Z)/18:1(11Z)/18:1(9Z)/16:1(9Z)) C79H144O17P2 1426.987915 NA HMDB2010 NA NA +HMDB10233 CL(18:2(9Z,12Z)/18:1(9Z)/18:1(11Z)/16:1(9Z)) C79H144O17P2 1426.987915 NA HMDB2010 NA NA +HMDB10235 CL(18:2(9Z,12Z)/18:1(9Z)/18:1(9Z)/16:1(9Z)) C79H144O17P2 1426.987915 NA HMDB2010 NA NA +HMDB10236 CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/16:0) C79H144O17P2 1426.987915 NA HMDB2010 NA NA +HMDB10240 CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)/16:0) C79H144O17P2 1426.987915 NA HMDB2010 NA NA +7013 synthetic peptide from alpha-gliadin PYPQPQPQYSQP 1428.65 antioxidative Inhouse_peptide NA peptide +7674 ACE inhibitor from b-CN (47-59), mouse VHSSIQSQPQAFT 1428.684 antioxidative Inhouse_peptide NA peptide +3644 stimulating g-interferon production peptide PQPFPSQQPYLQ 1428.687 ACE inhibitor Inhouse_peptide NA peptide +7010 synthetic peptide from alpha-gliadin FPQPQLPYSQPQ 1428.687 antioxidative Inhouse_peptide NA peptide +5453 caeridin 6 GLLGFVGSLLGGLGIG 1428.819 ACE inhibitor Inhouse_peptide NA peptide +HMDB10228 CL(18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)/16:0) C79H146O17P2 1429.00354 NA HMDB2010 NA NA +HMDB10230 CL(18:2(9Z,12Z)/18:1(11Z)/18:1(9Z)/16:0) C79H146O17P2 1429.00354 NA HMDB2010 NA NA +HMDB10232 CL(18:2(9Z,12Z)/18:1(9Z)/18:1(11Z)/16:0) C79H146O17P2 1429.00354 NA HMDB2010 NA NA +HMDB10234 CL(18:2(9Z,12Z)/18:1(9Z)/18:1(9Z)/16:0) C79H146O17P2 1429.00354 NA HMDB2010 NA NA +5485 ceratotoxin B SIGSAFKKALPVAKKIGKAALPIAKAALP 1429.381 MH2+ Inhouse_peptide NA peptide +MetaCyc04432 N4-{N-acetyl-β-D-glucosaminyl-(1,2)-α-D-mannosyl-(1,3)-[N-acetyl-β-D-glucosaminyl-(1,2)-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1,4)-N-acetyl-β-D-glucosaminyl-(1,4)-N-acetyl-β-D-glucosaminyl}asparagine [GnGn-glycopeptide;GnGn-GP;] C54H90N6O38 1430.529453 NA metacyc NA NA +5400 brevinin-2EE GIFDKLKNFAKGVAQSLLNKASCKLSGQC 1430.7964 MH2+ Inhouse_peptide NA peptide +2700 somatostatin AGCKNFFWKTFTSC 1432.6979 antibacterial Inhouse_peptide NA peptide +5509 ceratotoxin A SIGSALKKALPVAKKIGKIALPIAKAALP 1433.4125 MH2+ Inhouse_peptide NA peptide +3866 vespa-like peptide from R, Erythraea FLPILGKIAGFLF~ 1433.865 neuropeptide Inhouse_peptide NA peptide +3887 temporin D LLPIVGNLLNSLLG 1434.8678 neuropeptide Inhouse_peptide NA peptide +3889 temporin E VLPIIGNLLNSLLG 1434.8678 neuropeptide Inhouse_peptide NA peptide +HMDB06676 Disialyllacto-N-fucopentaose II C54H89N3O41 1435.49719 http://www.hmdb.ca/metabolites/HMDB06676 HMDB NA NA +HMDB06676 Disialyllacto-N-fucopentaose II C54H89N3O41 1435.49719 HMDB06676 PFEM_hmdb_metabocards_official NA NA +HMDB06676 Disialyllacto-N-fucopentaose II C54H89N3O41 1435.497192 NA HMDB2010 NA NA +3071 human defensin HNP-3 DCYCRIPACIAGERRYGTCIYQGRLWAFCC 1435.7379 MH2+ Inhouse_peptide NA peptide +HMDB11911 Ganglioside GM2 (d18:1/22:1(13Z)) C72H128N2O26 1436.875488 NA HMDB2010 NA NA +HMDB06691 p-Lacto-N-octaose C54H91N3O41 1437.512817 NA HMDB2010 NA NA +HMDB06691 para-Lacto-N-octaose C54H91N3O41 1437.51282 http://www.hmdb.ca/metabolites/HMDB06691 HMDB NA NA +HMDB06691 para-Lacto-N-octaose C54H91N3O41 1437.51282 HMDB06691 PFEM_hmdb_metabocards_official NA NA +8253 Antioxidative peptide LEELEEELEGCE 1437.567 Tripeptides ;SYN:(+)-Pantothenate; (+)-Pantothenic acid; (D)-(+)-Pantothenate; (D)-(+)-Pantothenic acid; Chick antidermatitis factor; D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-b-alanine; D-Pantothenate; D-Pantothenic acid; Pantothenate; Vitamin B5; D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine; delta-Pantothenate; delta-Pantothenic acid; (R)-pantothenateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +3011 kinases inhibitor KKALRRQAAVDAL 1438.8589 celiac toxic Inhouse_peptide NA peptide +HMDB11902 Ganglioside GM2 (d18:0/22:1(13Z)) C72H130N2O26 1438.891235 NA HMDB2010 NA NA +2999 kinases inhibitor AKALRRQEAVDAL 1439.8069 anticancer Inhouse_peptide NA peptide +3001 kinases inhibitor KAALRRQEAVDAL 1439.8069 anticancer Inhouse_peptide NA peptide +2998 kinases inhibitor KKALRRAEAVDAL 1439.8429 anticancer Inhouse_peptide NA peptide +HMDB04941 Ganglioside GM2 (d18:1/22:0) C71H129N3O26 1439.88647 http://www.hmdb.ca/metabolites/HMDB04941 HMDB NA NA +HMDB04941 Ganglioside GM2 (d18:1/22:0) C71H129N3O26 1439.88647 HMDB04941 PFEM_hmdb_metabocards_official NA NA +HMDB04941 Ganglioside GM2 (d18:1/22:0) C71H129N3O26 1439.886475 NA HMDB2010 NA NA +2984 kinases inhibitor KKAGRRQEAVDAL 1440.8009 anticancer Inhouse_peptide NA peptide +HMDB11901 Ganglioside GM2 (d18:0/22:0) C72H132N2O26 1440.90686 NA HMDB2010 NA NA +C17626 Cinnamtannin A3 C75H62O30 1442.3326 NA KEGG NA NA +C17627 Prenyl diphosphate C75H62O30 1442.3326 NA KEGG NA NA +C17628 Prenol C75H62O30 1442.3326 NA KEGG NA NA +2694 NA GGCTLREWLHGGFCGG 1442.689 celiac toxic Inhouse_peptide NA peptide +HMDB04913 Ganglioside GD3 (d18:1/16:0) C68H121N3O29 1443.80859 http://www.hmdb.ca/metabolites/HMDB04913 HMDB NA NA +HMDB04913 Ganglioside GD3 (d18:1/16:0) C68H121N3O29 1443.80859 HMDB04913 PFEM_hmdb_metabocards_official NA NA +HMDB04913 Ganglioside GD3 (d18:1/16:0) C68H121N3O29 1443.808594 NA HMDB2010 NA NA +7774 phosphophoryn biomimetic peptide DSKSDSSKSESDSS 1444.5667 antioxidative Inhouse_peptide NA peptide +C13429 Meglumine sodium amidotrizoate C11H9I3N2O4 1444.6319 NA KEGG NA NA +C13430 Transferred to D01941 C11H9I3N2O4 1444.6319 NA KEGG NA NA +7727 NA PGANSGGMWFGPRL~ 1444.6883 antioxidative Inhouse_peptide NA peptide +7008 synthetic peptide from alpha-gliadin FPSQQPYLQLQP 1444.719 antioxidative Inhouse_peptide NA peptide +3919 aurein 1,1 GLFDIIKKIAESI~ 1444.8508 neuropeptide Inhouse_peptide NA peptide +C15711 Balhimycin C66H73Cl2N9O24 1445.4146 NA KEGG NA NA +7030 synthetic peptide from alpha-gliadin FQQPLQQYPLGQ 1445.714 antioxidative Inhouse_peptide NA peptide +3192 crabolin-like from skin of frog Rana esculenta FLPAIAGILSQLFG 1445.814 celiac toxic Inhouse_peptide NA peptide +HMDB11858 Ganglioside GD3 (d18:0/16:0) C68H123N3O29 1445.824219 NA HMDB2010 NA NA +HMDB10248 CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) C81H140O17P2 1446.956543 NA HMDB2010 NA NA +HMDB10249 CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) C81H140O17P2 1446.956543 NA HMDB2010 NA NA +C06689 Vancomycin C66H75Cl2N9O24 1447.4302 NA KEGG NA NA +7461 coeliac toxic peptide VQQQIPVVQPSIL 1447.824 antioxidative Inhouse_peptide NA peptide +2638 synthetic fr, of human beta-CN (41-52) ACE inhibitor YPSFQPQPLIYP 1448.718 NA Inhouse_peptide NA peptide +7021 synthetic peptide from alpha-gliadin VLQQSTYQLLQE 1448.736 antioxidative Inhouse_peptide NA peptide +3883 temporin B LLPIVGNLLKSLLG 1448.9189 neuropeptide Inhouse_peptide NA peptide +HMDB10692 CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C81H142O17P2 1448.972168 NA HMDB2010 NA NA +HMDB10246 CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)) C81H144O17P2 1450.987915 NA HMDB2010 NA NA +HMDB10247 CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)) C81H144O17P2 1450.987915 NA HMDB2010 NA NA +2950 mellitin from venom of honey bee(Apis mellifera) GIGAVLKVLTTGLPALISWIKRKRQQG 1451.3695 MH2+ Inhouse_peptide NA peptide +8162 antimicrobial peptide derived from b-casein (184-210) QELLLNPTHQYPVTQPLAPVHNPISV 1452.2639 MH2+ Inhouse_peptide NA peptide +3016 kinases inhibitor KKALRRQEAVAAL 1452.874 celiac toxic Inhouse_peptide NA peptide +HMDB11912 Ganglioside GM2 (d18:1/23:0) C73H132N2O26 1452.90686 NA HMDB2010 NA NA +HMDB10238 CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)) C81H146O17P2 1453.00354 NA HMDB2010 NA NA +HMDB10239 CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(9Z)) C81H146O17P2 1453.00354 NA HMDB2010 NA NA +HMDB10242 CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(11Z)) C81H146O17P2 1453.00354 NA HMDB2010 NA NA +HMDB10243 CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(9Z)) C81H146O17P2 1453.00354 NA HMDB2010 NA NA +3881 temporin A FLPLIGRVLSGILG 1453.8879 neuropeptide Inhouse_peptide NA peptide +3004 kinases inhibitor KKAARRQEAVDAL 1454.8169 anticancer Inhouse_peptide NA peptide +3014 kinases inhibitor KKALRRQEAGDAL 1454.8169 celiac toxic Inhouse_peptide NA peptide +3025 kinases inhibitor KKALRRQEAVDAA 1454.8169 celiac toxic Inhouse_peptide NA peptide +3441 NA KWKKFIKELQKVLAPGGLLSNIVTSL 1454.8629 MH2+ Inhouse_peptide NA peptide +HMDB11903 Ganglioside GM2 (d18:0/23:0) C73H134N2O26 1454.922485 NA HMDB2010 NA NA +HMDB10226 CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)) C81H148O17P2 1455.019165 NA HMDB2010 NA NA +HMDB10227 CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)) C81H148O17P2 1455.019165 NA HMDB2010 NA NA +7433 coeliac toxic peptide QLQPFPEPQLPY 1455.723 antioxidative Inhouse_peptide NA peptide +7434 coeliac toxic peptide QLQPFPQPELPY 1455.723 antioxidative Inhouse_peptide NA peptide +3438 NA KWKSFIKNLEKVLKPGGLLSNIVTSL 1455.8529 MH2+ Inhouse_peptide NA peptide +3442 NA KWKEFIKKLTTAVKKVLTTGLPALIS 1456.38 MH2+ Inhouse_peptide NA peptide +C08978 Senegin II C70H104O32 1456.6511 NA KEGG NA NA +3892 temporin G FFPVIGRILNGIL~ 1456.8779 neuropeptide Inhouse_peptide NA peptide +3873 vespa-like peptide from R, Esculenta FLPILGKILGQLF~ 1456.902 neuropeptide Inhouse_peptide NA peptide +HMDB10690 CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/18:1(11Z)) C81H150O17P2 1457.03479 NA HMDB2010 NA NA +HMDB10691 CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/18:1(9Z)) C81H150O17P2 1457.03479 NA HMDB2010 NA NA +3195 crabolin-like from skin of frog Rana esculenta FLPLAIGLLGKLFG 1457.886 celiac toxic Inhouse_peptide NA peptide +3877 vespa-like peptide from R, Esculenta FLPLIAGLLGKLFG 1457.886 neuropeptide Inhouse_peptide NA peptide +7069 coeliac toxic peptide FSQPQQQFPQPQ 1458.672 antioxidative Inhouse_peptide NA peptide +3229 bovine lactoferricin B (LF-B) FKCRRWQWRMKKLGAPSITCVRRAF 1458.8207 MH2+ Inhouse_peptide NA peptide +7051 Lactoferricin B, bovine (Bos taurus) FKCRRWQWRMKKLGAPSITCVRRAF 1458.8207 MH2+ Inhouse_peptide NA peptide +3640 NA LGQQQPFPPQQPYPQPQPFPSQQPY 1460.69445 MH2+ Inhouse_peptide NA peptide +7468 coeliac toxic peptide LGQQQPFPPQQPYPQPQPFPSQQPY 1460.6945 MH2+ Inhouse_peptide NA peptide +HMDB04853 Ganglioside GM1 (18:1/12:0) C67H119N3O31 1461.78271 http://www.hmdb.ca/metabolites/HMDB04853 HMDB NA NA +HMDB04853 Ganglioside GM1 (18:1/12:0) C67H119N3O31 1461.78271 HMDB04853 PFEM_hmdb_metabocards_official NA NA +HMDB04853 Ganglioside GM1 (18:1/12:0) C67H119N3O31 1461.782715 NA HMDB2010 NA NA +3645 stimulating g-interferon production peptide RPQQPYPQPQPQ 1462.714 ACE inhibitor Inhouse_peptide NA peptide +C12042 Fengycin C72H110N12O20 1462.7959 NA KEGG NA NA +HMDB11875 Ganglioside GM1 (d18:0/12:0) C68H122N2O31 1462.803101 NA HMDB2010 NA NA +7016 synthetic peptide from alpha-gliadin QILQQILQQQLI 1464.852 antioxidative Inhouse_peptide NA peptide +2762 rabbit NP-5 defesin VFCTCRGFLCGSGERASGSCTINGVRHTLCCRR 1465.2754 MH2+ Inhouse_peptide NA peptide +3112 adrenocorticotropin hormone fr,: 1-24 SYSMEHFRWGKPVGKKRRPVKVYP 1465.77915 MH2+ Inhouse_peptide NA peptide +5449 caeridin 2 GLLDVVGNLLGGLGLG 1465.8358 ACE inhibitor Inhouse_peptide NA peptide +HMDB04942 Ganglioside GM2 (d18:1/24:1(15Z)) C73H131N3O26 1465.9021 http://www.hmdb.ca/metabolites/HMDB04942 HMDB NA NA +HMDB04942 Ganglioside GM2 (d18:1/24:1(15Z)) C73H131N3O26 1465.9021 HMDB04942 PFEM_hmdb_metabocards_official NA NA +HMDB04942 Ganglioside GM2 (d18:1/24:1(15Z)) C73H131N3O26 1465.9021 NA HMDB2010 NA NA +3900 mellitin-like peptide FIGASALKVLAGVLPSVISWVKLGRILQ~ 1466.88795 MH2+ Inhouse_peptide NA peptide +5291 mellitin-like peptide FIGASALKVLAGVLPSVISWVKLGRILQG 1466.88795 MH2+ Inhouse_peptide NA peptide +HMDB11904 Ganglioside GM2 (d18:0/24:0) C74H134N2O26 1466.922485 NA HMDB2010 NA NA +HMDB11905 Ganglioside GM2 (d18:0/24:1(15Z)) C74H134N2O26 1466.922485 NA HMDB2010 NA NA +3077 hirudin (54-65) GDFEEIPEEYLQ 1467.6249 celiac toxic Inhouse_peptide NA peptide +HMDB04945 Ganglioside GM2 (d18:1/24:0) C73H133N3O26 1467.91772 http://www.hmdb.ca/metabolites/HMDB04945 HMDB NA NA +HMDB04945 Ganglioside GM2 (d18:1/24:0) C73H133N3O26 1467.91772 HMDB04945 PFEM_hmdb_metabocards_official NA NA +HMDB04945 Ganglioside GM2 (d18:1/24:0) C73H133N3O26 1467.917725 NA HMDB2010 NA NA +3015 kinases inhibitor KKALRRQEAADAL 1468.8329 celiac toxic Inhouse_peptide NA peptide +2982 kinases inhibitor KKALKRQEAVDAL 1468.8569 celiac toxic Inhouse_peptide NA peptide +2985 kinases inhibitor KKALRKQEAVDAL 1468.8569 anticancer Inhouse_peptide NA peptide +HMDB04912 Ganglioside GD3 (d18:1/9Z-18:1) C70H123N3O29 1469.824219 NA HMDB2010 NA NA +HMDB11872 Ganglioside GD3 (d18:1/18:1(11Z)) C70H123N3O29 1469.824219 NA HMDB2010 NA NA +HMDB04912 Ganglioside GD3 (d18:1/9Z-18:1) C70H123N3O29 1469.82422 http://www.hmdb.ca/metabolites/HMDB04912 HMDB NA NA +HMDB04912 Ganglioside GD3 (d18:1/9Z-18:1) C70H123N3O29 1469.82422 HMDB04912 PFEM_hmdb_metabocards_official NA NA +2594 tenecin-1 (1-15) VTCDILSVEAKGVKL~ 1469.8658 NA Inhouse_peptide NA peptide +7003 synthetic peptide from alpha-gliadin QEQVPLVQQQQF 1470.73 antioxidative Inhouse_peptide NA peptide +7009 synthetic peptide from alpha-gliadin YLQLQPFPQPQL 1470.771 antioxidative Inhouse_peptide NA peptide +HMDB10297 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z)) C83H140O17P2 1470.956543 NA HMDB2010 NA NA +2701 somatostatin 28 SANSNPAMAPRERKAGCKNFFWKTFTSC 1471.2206 MH2+ Inhouse_peptide NA peptide +7011 synthetic peptide from alpha-gliadin PYSQPQPFRPQQ 1471.704 antioxidative Inhouse_peptide NA peptide +HMDB04914 Ganglioside GD3 (d18:1/18:0) C70H125N3O29 1471.83984 http://www.hmdb.ca/metabolites/HMDB04914 HMDB NA NA +HMDB04914 Ganglioside GD3 (d18:1/18:0) C70H125N3O29 1471.83984 HMDB04914 PFEM_hmdb_metabocards_official NA NA +HMDB04914 Ganglioside GD3 (d18:1/18:0) C70H125N3O29 1471.839844 NA HMDB2010 NA NA +HMDB11860 Ganglioside GD3 (d18:0/18:1(11Z)) C70H125N3O29 1471.839844 NA HMDB2010 NA NA +HMDB11861 Ganglioside GD3 (d18:0/18:1(9Z)) C70H125N3O29 1471.839844 NA HMDB2010 NA NA +HMDB12264 N-Acetylglucosaminyl-diphosphodolichol C88H147NO12P2 1472.039795 NA HMDB2010 NA NA +MetaCyc04433 N-acetylglucosaminyl-diphosphodolichol [N-acetyl-D-glucosaminyldiphosphodolichol;] C88H147N1O12P2 1472.039852 NA metacyc NA NA +HMDB10269 CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C83H142O17P2 1472.972168 NA HMDB2010 NA NA +HMDB10276 CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/16:0) C83H142O17P2 1472.972168 NA HMDB2010 NA NA +HMDB10277 CL(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/16:0) C83H142O17P2 1472.972168 NA HMDB2010 NA NA +HMDB10278 CL(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C83H142O17P2 1472.972168 NA HMDB2010 NA NA +HMDB10283 CL(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/16:0) C83H142O17P2 1472.972168 NA HMDB2010 NA NA +HMDB10286 CL(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/16:0) C83H142O17P2 1472.972168 NA HMDB2010 NA NA +HMDB10291 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(11Z)/16:1(9Z)) C83H142O17P2 1472.972168 NA HMDB2010 NA NA +HMDB10294 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(9Z)/16:1(9Z)) C83H142O17P2 1472.972168 NA HMDB2010 NA NA +HMDB10693 CL(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/16:1(9Z)) C83H142O17P2 1472.972168 NA HMDB2010 NA NA +HMDB10694 CL(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/16:1(9Z)) C83H142O17P2 1472.972168 NA HMDB2010 NA NA +HMDB10695 CL(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/16:1(9Z)) C83H142O17P2 1472.972168 NA HMDB2010 NA NA +HMDB10696 CL(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/16:1(9Z)) C83H142O17P2 1472.972168 NA HMDB2010 NA NA +HMDB11859 Ganglioside GD3 (d18:0/18:0) C70H127N3O29 1473.855469 NA HMDB2010 NA NA +HMDB10263 CL(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C83H144O17P2 1474.987915 NA HMDB2010 NA NA +HMDB10266 CL(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C83H144O17P2 1474.987915 NA HMDB2010 NA NA +8212 RL-Y6Y12/G6G12 - synthetic peptide AMRLTGNRPCIGAT 1476.7153 NA ;SYN:3-Carboxypropylamine; 4-Aminobutanoate; 4-Aminobutanoic acid; 4-Aminobutyrate; 4-Aminobutyric acid; Aminalon; GABA; Gaballon; Gamarex; Gamma aminobutyrate; Gamma aminobutyric acid; Gamma-aminobutyrate; Gamma-aminobutyric acid; Gammalon; Gammalone; Gammar; Gammasol; Mielogen; Mielomade; Piperidate; Piperidic acid; Piperidinate; Piperidinic acid; w-Aminobutyrate; w-Aminobutyric acid; omega-Aminobutyrate; omega-Aminobutyric acidH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +3433 NA QKIAEKFSGTRRG 1476.7999 ACE inhibitor Inhouse_peptide NA peptide +HMDB10262 CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C83H146O17P2 1477.00354 NA HMDB2010 NA NA +2983 kinases inhibitor KKALHRQEAVDAL 1477.8209 anticancer Inhouse_peptide NA peptide +2997 kinases inhibitor KKALRHQEAVDAL 1477.8209 anticancer Inhouse_peptide NA peptide +2953 mastoparan from venom of Vespula levissii INLKALAALAKKIL~ 1477.9929 celiac toxic Inhouse_peptide NA peptide +3921 aurein 1,2 GLFDIIKKIAESF~ 1478.8348 neuropeptide Inhouse_peptide NA peptide +HMDB10260 CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)) C83H148O17P2 1479.019165 NA HMDB2010 NA NA +HMDB10261 CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)) C83H148O17P2 1479.019165 NA HMDB2010 NA NA +5455 aurein 1,2 GLFDIIKKIAESF 1479.8189 ACE inhibitor Inhouse_peptide NA peptide +5352 Cysteine-rich antifungal protein 2 [Fragment] QKLCERPSGTXSGVCGNNNACKNQCIR 1480.1513 MH2+ Inhouse_peptide NA peptide +5474 aurein 3,1,1 GLFDIVKKIAGHIA 1480.8608 ACE inhibitor Inhouse_peptide NA peptide +HMDB10258 CL(20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)) C83H150O17P2 1481.03479 NA HMDB2010 NA NA +HMDB10259 CL(20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)) C83H150O17P2 1481.03479 NA HMDB2010 NA NA +7012 synthetic peptide from alpha-gliadin PFRPQQPYPQPQ 1481.724 antioxidative Inhouse_peptide NA peptide +HMDB04946 Ganglioside GM2 (d18:1/25:0) C74H135N3O26 1481.93335 http://www.hmdb.ca/metabolites/HMDB04946 HMDB NA NA +HMDB04946 Ganglioside GM2 (d18:1/25:0) C74H135N3O26 1481.93335 HMDB04946 PFEM_hmdb_metabocards_official NA NA +HMDB04946 Ganglioside GM2 (d18:1/25:0) C74H135N3O26 1481.93335 NA HMDB2010 NA NA +5372 dermaseptin B3 ALWKNMLKGIGKLAGQAALGAVKTLVGAEG 1482.33665 MH2+ Inhouse_peptide NA peptide +3440 NA KWKSFIKNLEKVLKKGPILANLVSIV 1482.40235 MH2+ Inhouse_peptide NA peptide +7729 NA TYRKPPFNGSIFG 1482.7459 antioxidative Inhouse_peptide NA peptide +2979 kinases inhibitor KKAVRRQEAVDAL 1482.8479 celiac toxic Inhouse_peptide NA peptide +2991 kinases inhibitor KKALRRQEGVDAL 1482.8479 anticancer Inhouse_peptide NA peptide +2990 kinases inhibitor KKALRRNEAVDAL 1482.8488 anticancer Inhouse_peptide NA peptide +HMDB11906 Ganglioside GM2 (d18:0/25:0) C75H138N2O26 1482.953735 NA HMDB2010 NA NA +HMDB10254 CL(20:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)) C83H152O17P2 1483.050537 NA HMDB2010 NA NA +HMDB10255 CL(20:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(9Z)) C83H152O17P2 1483.050537 NA HMDB2010 NA NA +HMDB10256 CL(20:1(11Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(11Z)) C83H152O17P2 1483.050537 NA HMDB2010 NA NA +HMDB10257 CL(20:1(11Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(9Z)) C83H152O17P2 1483.050537 NA HMDB2010 NA NA +2989 kinases inhibitor KKALRRDEAVDAL 1483.8328 anticancer Inhouse_peptide NA peptide +3223 C-terminal fr, of human receptor of interleukin QRRQRKSRRTI 1483.8779 celiac toxic Inhouse_peptide NA peptide +8335 f(195-208) of alpha S1 casein SDIPNPIGSENSEK 1485.6797 NA ;SYN:(2S,4R)-4-hydroxy-2-pyrrolidinecarboxylic acid; (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid; (4R)-4-hydroxy-L-proline; 4-Hydroxy-2-pyrrolidinecarboxylic acid; 4-Hydroxy-L-proline; 4-Hydroxyproline; 4-L-Hydroxyproline; Hydroxy-l-proline; hydroxy-proline; Hydroxyproline; hydroxiproline; L-4-Hydroxyproline; L-hydroxyproline; L-threo-4-hydroxyproline; LS-hydroxyproline; Oxaceprol; Trans-hydroxyproline; Trans-l-hydroxyproline; delta-hydroxyproline; trans-4-Hydroxy-L-proline; trans-4-HydroxyprolineH2Blood; Urine Inhouse_peptide NA peptide +7435 coeliac toxic peptide QLQPFPQQQLPY 1485.745 antioxidative Inhouse_peptide NA peptide +3190 cystatin S (1-14) SSSKEENRIIPGGI 1485.7639 celiac toxic Inhouse_peptide NA peptide +5450 caeridin 3 GLFDAIGNLLGGLGLG 1485.8048 ACE inhibitor Inhouse_peptide NA peptide +FL5FAAGS0139 Kaempferol 3-glucosyl-(1->6)-[rhamnosyl-(1->3)-(2''-(E)-p-coumaroylglucoside)]-7-rhamnosyl-(1->3)-rhamnosyl-(1->3)-(4''-(E)-p-coumaroylrhamnoside);7-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-6-deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]oxy]-3-[[O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->6)]-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C69H82O36 1486.4585 622411-39-6 knapsack NA NA +7436 coeliac toxic peptide QLQPFPQQELPY 1486.729 antioxidative Inhouse_peptide NA peptide +HMDB11890 Ganglioside GM1 (d18:1/14:0) C70H124N2O31 1488.818848 NA HMDB2010 NA NA +HMDB11876 Ganglioside GM1 (d18:0/14:0) C70H126N2O31 1490.834473 NA HMDB2010 NA NA +C12129 Anemone purple anthocyanin 1 C64H67O41 1491.3158 NA KEGG NA NA +FL7AAGGL0054 Ternatin C2 C66H75O39 1491.3885 215378-74-8 knapsack NA NA +2789 NA DAENLIDSFQEIV 1491.6957 celiac toxic Inhouse_peptide NA peptide +3867 vespa-like peptide from R, Erythraea FLPILGKIAGFLFG 1491.87 neuropeptide Inhouse_peptide NA peptide +4002 Substance P RPKPQQFFFGLM~ 1493.7804 haemolytic Inhouse_peptide NA peptide +HMDB04943 Ganglioside GM2 (d18:1/26:1(17Z)) C75H135N3O26 1493.93335 http://www.hmdb.ca/metabolites/HMDB04943 HMDB NA NA +HMDB04943 Ganglioside GM2 (d18:1/26:1(17Z)) C75H135N3O26 1493.93335 HMDB04943 PFEM_hmdb_metabocards_official NA NA +HMDB04943 Ganglioside GM2 (d18:1/26:1(17Z)) C75H135N3O26 1493.93335 NA HMDB2010 NA NA +2763 rabbit NP-4 defensin VSCTCRRFSCGFGERASGSCTVNGVRHTLCCRR 1494.7815 MH2+ Inhouse_peptide NA peptide +HMDB11908 Ganglioside GM2 (d18:0/26:1(17Z)) C76H138N2O26 1494.953735 NA HMDB2010 NA NA +3196 crabolin from venom of European hornet Vespa crabr FLPLILRKIVTAL~ 1494.9869 celiac toxic Inhouse_peptide NA peptide +HMDB04944 Ganglioside GM2 (d18:1/26:0) C75H137N3O26 1495.94897 http://www.hmdb.ca/metabolites/HMDB04944 HMDB NA NA +HMDB04944 Ganglioside GM2 (d18:1/26:0) C75H137N3O26 1495.94897 HMDB04944 PFEM_hmdb_metabocards_official NA NA +HMDB04944 Ganglioside GM2 (d18:1/26:0) C75H137N3O26 1495.948975 NA HMDB2010 NA NA +C12024 Calcium-dependent antibiotic C67H80N14O26 1496.5368 NA KEGG NA NA +2981 kinases inhibitor KKAIRRQEAVDAL 1496.8639 celiac toxic Inhouse_peptide NA peptide +3023 kinases inhibitor KKALRRQEAVDAL 1496.8639 celiac toxic Inhouse_peptide NA peptide +HMDB11907 Ganglioside GM2 (d18:0/26:0) C76H140N2O26 1496.969482 NA HMDB2010 NA NA +HMDB10300 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C85H142O17P2 1496.972168 NA HMDB2010 NA NA +2591 tenecin-1 (16-32) NDAACAAHCLFRGRSGG~ 1497.7408 NA Inhouse_peptide NA peptide +2987 kinases inhibitor KKALRREEAVDAL 1497.8479 anticancer Inhouse_peptide NA peptide +3947 mytilin C from Mytilum edulis SCASRCKSRCRARRCRYYVSVRYGGFCYCRC 1498.30105 MH2+ Inhouse_peptide NA peptide +HMDB10272 CL(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C85H144O17P2 1498.987915 NA HMDB2010 NA NA +HMDB10273 CL(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C85H144O17P2 1498.987915 NA HMDB2010 NA NA +HMDB10281 CL(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C85H144O17P2 1498.987915 NA HMDB2010 NA NA +HMDB10282 CL(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C85H144O17P2 1498.987915 NA HMDB2010 NA NA +HMDB10298 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)) C85H144O17P2 1498.987915 NA HMDB2010 NA NA +HMDB10299 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)) C85H144O17P2 1498.987915 NA HMDB2010 NA NA +3338 human beta-casein fr, 49-61 IHPFAQTQSLVYP 1499.761 celiac toxic Inhouse_peptide NA peptide +HMDB04915 Ganglioside GD3 (d18:1/20:0) C72H129N3O29 1499.871216 NA HMDB2010 NA NA +HMDB04915 Ganglioside GD3 (d18:1/20:0) C72H129N3O29 1499.87122 http://www.hmdb.ca/metabolites/HMDB04915 HMDB NA NA +HMDB04915 Ganglioside GD3 (d18:1/20:0) C72H129N3O29 1499.87122 HMDB04915 PFEM_hmdb_metabocards_official NA NA +3033 calmodulin-binding peptide VYQHQKAMKPWIQPKTKVIPYVRY 1500.3147 MH2+ Inhouse_peptide NA peptide +3435 f(183-206) of bovine alpha s2-casein VYQHQKAMKPWIQPKTKVIPYVRY 1500.3147 MH2+ Inhouse_peptide NA peptide +3965 NA VYQHQKAMKPWIQPKTKVIPYVRY 1500.3147 MH2+ Inhouse_peptide NA peptide +3647 stimulating g-interferon production peptide GSFRPSQQNPQAQG 1500.6909 ACE inhibitor Inhouse_peptide NA peptide +HMDB10264 CL(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +HMDB10265 CL(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +HMDB10267 CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +HMDB10268 CL(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +HMDB10271 CL(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +HMDB10274 CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(11Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +HMDB10275 CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:1(9Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +HMDB10280 CL(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +HMDB10284 CL(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/18:1(11Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +HMDB10285 CL(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/18:1(9Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +HMDB10287 CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +HMDB10288 CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +HMDB10289 CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +HMDB10290 CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +HMDB10292 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +HMDB10293 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(9Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +HMDB10295 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(11Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +HMDB10296 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(9Z)) C85H146O17P2 1501.00354 NA HMDB2010 NA NA +2761 rat defensin murine cryptidin VCYCRSRGCKGRERMNGTCRKGHLLYTLCCR 1501.81665 MH2+ Inhouse_peptide NA peptide +5457 aurein 2,1,1 LDIVKKVVGAFGSLG 1501.8708 ACE inhibitor Inhouse_peptide NA peptide +HMDB11862 Ganglioside GD3 (d18:0/20:0) C72H131N3O29 1501.886841 NA HMDB2010 NA NA +7728 NA PGANSGGMWFGPRLG 1502.6933 antioxidative Inhouse_peptide NA peptide +3920 aurein 1,1, GLFDIIKKIAESIG 1502.8558 neuropeptide Inhouse_peptide NA peptide +5454 aurein 1,1 GLFDIIKKIAESIG 1502.8558 ACE inhibitor Inhouse_peptide NA peptide +HMDB10270 CL(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C85H148O17P2 1503.019165 NA HMDB2010 NA NA +HMDB10279 CL(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C85H148O17P2 1503.019165 NA HMDB2010 NA NA +3006 kinases inhibitor KKALYRQEAVDAL 1503.8259 anticancer Inhouse_peptide NA peptide +3008 kinases inhibitor KKALRYQEAVDAL 1503.8259 anticancer Inhouse_peptide NA peptide +8261 f(184-208) of ovine alpha s2-casein VDQHQKAMKPWTQPKTNAIPYVRYL 1505.7791 MH2+ Inhouse_peptide NA peptide +3220 calpain inhibitor EKLGERDDTIPPEYRELLEKKTGVACE 1507.26695 MH2+ Inhouse_peptide NA peptide +C12132 Anemone blue anthocyanin 3 C64H67O42 1507.3107 NA KEGG NA NA +8331 f(184-210) of human alpha beta casein QELLLNPTHQIYPVTQPLAPVHNPISV 1508.8059 MH2+ Inhouse_peptide NA peptide +8332 f(184-210) of human alpha beta casein QELLLNPTHQIYPVTQPLAPVHNPISV 1508.8059 MH2+ Inhouse_peptide NA peptide +HMDB06669 O-(N-acetyl-a-neuraminosyl)-(2->6)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-[O-6-deoxy-a-L-galactopyranosyl-(1->3)-O-[b-D-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->6)]-O-b-D-mannopyr C57H95N3O43 1509.533936 NA HMDB2010 NA NA +HMDB06669 O-(N-acetyl-a-neuraminosyl)-(2->6)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-[O-6-deoxy-a-L-galactopyranosyl-(1->3)-O-[b-D-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->6)]-O-b-D-mannopyr C57H95N3O43 1509.53394 http://www.hmdb.ca/metabolites/HMDB06669 HMDB NA NA +HMDB06669 O-(N-acetyl-a-neuraminosyl)-(2->6)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-[O-6-deoxy-a-L-galactopyranosyl-(1->3)-O-[b-D-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->6)]-O-b-D-mannopyr C57H95N3O43 1509.53394 HMDB06669 PFEM_hmdb_metabocards_official NA NA +HMDB06621 Trifucosyllacto-N-hexaose C58H98N2O43 1510.55432 http://www.hmdb.ca/metabolites/HMDB06621 HMDB NA NA +HMDB06621 Trifucosyllacto-N-hexaose C58H98N2O43 1510.55432 HMDB06621 PFEM_hmdb_metabocards_official NA NA +HMDB06621 Trifucosyllacto-N-hexaose C58H98N2O43 1510.554321 NA HMDB2010 NA NA +2996 kinases inhibitor KKALRRQEALDAL 1510.8799 anticancer Inhouse_peptide NA peptide +3013 kinases inhibitor KKALRRQEAIDAL 1510.8799 celiac toxic Inhouse_peptide NA peptide +5413 dermaseptin 3 ALWKNMLKGIGKLAGKAALGAVKKLVGAES 1510.88365 MH2+ Inhouse_peptide NA peptide +4010 LDT 2, alpha-chain GYGGVSLPEWVCTTF 1511.713 haemolytic Inhouse_peptide NA peptide +5496 NA HRHQGPIFDTRPSPFNPNQPRPGPIY 1512.2499 MH2+ Inhouse_peptide NA peptide +7035 synthetic peptide from alpha-gliadin QQLPQFEEIRNL 1513.7739 antioxidative Inhouse_peptide NA peptide +2980 kinases inhibitor KKAMRRQEAVDAL 1514.8203 celiac toxic Inhouse_peptide NA peptide +3893 temporin G FFPVIGRILNGILG 1514.8829 neuropeptide Inhouse_peptide NA peptide +3875 vespa-like peptide from R, Esculenta FLPILGKILGQLFG 1514.907 neuropeptide Inhouse_peptide NA peptide +5461 aurein 2,4,1 FDIVKKVVGTIAGLG 1515.8859 ACE inhibitor Inhouse_peptide NA peptide +7784 peptide from vesicular stomatitis virus KFTIVFPHNQKGNWKNVPSNYHYCP 1517.2223 MH2+ Inhouse_peptide NA peptide +HMDB04855 Ganglioside GM1 (18:1/16:0) C71H127N3O31 1517.845337 NA HMDB2010 NA NA +HMDB04855 Ganglioside GM1 (18:1/16:0) C71H127N3O31 1517.84534 http://www.hmdb.ca/metabolites/HMDB04855 HMDB NA NA +HMDB04855 Ganglioside GM1 (18:1/16:0) C71H127N3O31 1517.84534 HMDB04855 PFEM_hmdb_metabocards_official NA NA +5381 Brevinin-2EA GILDTLKNLAISAAKGAAQGLVNKASCKLSGQC 1518.35485 MH2+ Inhouse_peptide NA peptide +7027 synthetic peptide from alpha-gliadin IILHQQQKQQQQ 1518.81 antioxidative Inhouse_peptide NA peptide +HMDB11877 Ganglioside GM1 (d18:0/16:0) C72H130N2O31 1518.865723 NA HMDB2010 NA NA +HMDB10308 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) C87H140O17P2 1518.956543 NA HMDB2010 NA NA +HMDB10309 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) C87H140O17P2 1518.956543 NA HMDB2010 NA NA +HMDB10310 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) C87H140O17P2 1518.956543 NA HMDB2010 NA NA +HMDB10311 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) C87H140O17P2 1518.956543 NA HMDB2010 NA NA +5486 ceratotoxin C SLGGVISGAKKVAKVAIPIGKAVLPVVAKLVG 1519.454 MH2+ Inhouse_peptide NA peptide +8110 peptide derived from tuna backbone protein VKAGFAWTANQQLS 1519.7629 ACE inhibitor Inhouse_peptide NA peptide +8209 RL-Y6C10/G6G10 - synthetic peptide AMRLTGNRPGLYAT 1519.7783 Short chain quaternary ammonium salts ;SYN:(2-Hydroxyethyl)trimethyl ammonium; (2-Hydroxyethyl)trimethylammonium; (beta-hydroxyethyl)trimethylammonium; 2-hydroxy-N,N,N-trimethylethanaminium; Bilineurine; Biocolina; Biocoline; Choline; Choline cation; Choline ion; Cholinum; Hepacholine; Hormocline; Lipotril; N,N,N-trimethylethanolammonium; Neocolina; Paresan; 2-hydroxy-N,N,N-trimethyl-ethanaminium; N,N,N-trimethylethanol-ammoniumH2Blood; Breast Milk; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +8211 RL-C10Y12/G10G12 - synthetic peptide AMRLTYNRPGLGAT 1519.7783 NA ;SYN:L-(+)-Cystathionine; Cystathionine; (R)-S-(2-amino-2-carboxyethyl)-L-Homocysteine; [R-(R*,S*)]-2-amino-4-[(2-amino-2-carboxyethyl)thio]-Butanoic acid; S-[(2R)-2-amino-2-carboxyethyl]-L-Homocysteine; [R-(R*,S*)]-2-amino-4-[(2-amino-2-carboxyethyl)thio]-ButanoateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +C12036 Chlorobiphenyl-desleucyl-vancomycin C72H71Cl3N8O23 1520.3698 NA KEGG NA NA +HMDB10250 CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C87H142O17P2 1520.972168 NA HMDB2010 NA NA +HMDB10251 CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C87H142O17P2 1520.972168 NA HMDB2010 NA NA +HMDB10252 CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) C87H142O17P2 1520.972168 NA HMDB2010 NA NA +HMDB10253 CL(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) C87H142O17P2 1520.972168 NA HMDB2010 NA NA +3862 vespa-like peptide from V, Orientalis FLPLILGKLVKGLL~ 1522.022 neuropeptide Inhouse_peptide NA peptide +5399 brevinin-2 GLLDSLKGFAATAGKGVLQSLLSTASCKLAKTC 1522.86145 MH2+ Inhouse_peptide NA peptide +HMDB10304 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C87H144O17P2 1522.987915 NA HMDB2010 NA NA +HMDB10307 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C87H144O17P2 1522.987915 NA HMDB2010 NA NA +7058 DP1 KLAKLAKKLAKLAK 1523.048 antioxidative Inhouse_peptide NA peptide +2932 NA CPTATATALAPRGGSRV 1524.821 celiac toxic Inhouse_peptide NA peptide +2993 kinases inhibitor KKALRRQEVVDAL 1524.8949 anticancer Inhouse_peptide NA peptide +HMDB10301 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C87H146O17P2 1525.00354 NA HMDB2010 NA NA +HMDB10302 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:1(11Z)) C87H146O17P2 1525.00354 NA HMDB2010 NA NA +HMDB10303 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:1(9Z)) C87H146O17P2 1525.00354 NA HMDB2010 NA NA +HMDB10305 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:1(11Z)) C87H146O17P2 1525.00354 NA HMDB2010 NA NA +HMDB10306 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:1(9Z)) C87H146O17P2 1525.00354 NA HMDB2010 NA NA +45 Hemoglobin TLASHLPSDFTPAVHASLDKFLANVSTVL 1525.3075 MH2+ Inhouse_peptide NA peptide +HMDB03404 Chitosan C56H103N9O39 1525.63525 http://www.hmdb.ca/metabolites/HMDB03404 HMDB NA NA +HMDB03404 Chitosan C56H103N9O39 1525.63525 HMDB03404 PFEM_hmdb_metabocards_official NA NA +HMDB03404 Chitosan C56H103N9O39 1525.635376 NA HMDB2010 NA NA +HMDB11873 Ganglioside GD3 (d18:1/22:1(13Z)) C74H131N3O29 1525.886841 NA HMDB2010 NA NA +3986 NA LGQQQPFPPQQPY 1526.734 opioid Inhouse_peptide NA peptide +3063 fragment of human b-casein fr:105-117 QPTIPFFDPQIPK 1526.7959 celiac toxic Inhouse_peptide NA peptide +5373 dermaseptin B4 ALWKDILKNVGKAAGKAVLNTVTDMVNQG 1526.82445 MH2+ Inhouse_peptide NA peptide +3948 mytilin D from Mytilum edulis GCASRCKAKCAGRRCKGWASASFRRRCYCKCFRC 1526.8524 MH2+ Inhouse_peptide NA peptide +C04808 D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid C79H132O24P2 1526.8584 NA KEGG NA NA +C04809 Membrane-derived-oligosaccharide 6-(glycerophospho)-D-glucose C79H132O24P2 1526.8584 NA KEGG NA NA +C04810 Oligosaccharide with 4-deoxy-alpha-D-gluc-4-enuronosyl group C6H7O6 1526.8584 NA KEGG NA NA +2593 tenecin-1 (1-15) VTCDILSVEAKGVKLG 1527.8708 NA Inhouse_peptide NA peptide +HMDB04916 Ganglioside GD3 (d18:1/22:0) C74H133N3O29 1527.902466 NA HMDB2010 NA NA +HMDB11864 Ganglioside GD3 (d18:0/22:1(13Z)) C74H133N3O29 1527.902466 NA HMDB2010 NA NA +HMDB04916 Ganglioside GD3 (d18:1/22:0) C74H133N3O29 1527.90247 http://www.hmdb.ca/metabolites/HMDB04916 HMDB NA NA +HMDB04916 Ganglioside GD3 (d18:1/22:0) C74H133N3O29 1527.90247 HMDB04916 PFEM_hmdb_metabocards_official NA NA +HMDB11863 Ganglioside GD3 (d18:0/22:0) C74H135N3O29 1529.918091 NA HMDB2010 NA NA +3496 ACE inhibitor FFVAPFPFEVFGK 1530.7739 ACE inhibitor Inhouse_peptide NA peptide +2986 kinases inhibitor KKAFRRQEAVDAL 1530.8479 anticancer Inhouse_peptide NA peptide +3012 kinases inhibitor KKALRRQYAVDAL 1530.8849 celiac toxic Inhouse_peptide NA peptide +3000 kinases inhibitor YKALRRQEAVDAL 1531.8329 anticancer Inhouse_peptide NA peptide +3002 kinases inhibitor KYALRRQEAVDAL 1531.8329 anticancer Inhouse_peptide NA peptide +3010 kinases inhibitor KKALRRYEAVDAL 1531.8689 anticancer Inhouse_peptide NA peptide +MetaCyc04434 CoA-disulfide [] C42H70N14O32P6S2 1532.214767 NA metacyc NA NA +C02015 CoA-disulfide C42H70N14O32P6S2 1532.2148 NA KEGG NA NA +C02017 Corticotropin C42H70N14O32P6S2 1532.2148 NA KEGG NA NA +8238 Antioxidative peptide IEWEGIESGSVEQA 1532.684 NA ;SYN:(S)-1H-Imidazole-4-alanine; (S)-2-Amino-3-(4-imidazolyl)propionsaeure; (S)-4-(2-Amino-2-carboxyethyl)imidazole; (S)-Histidine; (S)-a-Amino-1H-imidazole-4-propanoate; (S)-a-Amino-1H-imidazole-4-propanoic acid; (S)-alpha-Amino-1H-imidazole-4-propanoate; (S)-alpha-Amino-1H-imidazole-4-propanoic acid; (S)-alpha-Amino-1H-imidazole-4-propionate; (S)-alpha-Amino-1H-imidazole-4-propionic acid; (S)1H-Imidazole-4-alanine; 3-(1H-imidazol-4-yl)-L-Alanine; Glyoxaline-5-alanine; His; Histidine; L-(-)-Histidine; amino-1H-imidazole-4-propanoate; amino-1H-imidazole-4-propanoic acid; amino-4-imidazoleproprionate; amino-4-imidazoleproprionic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +HMDB12307 Undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate-4-acetamido-4,6-dideoxy-D-galactose pyrophosphate C79H129N3O22P2 1533.854248 NA HMDB2010 NA NA +MetaCyc04435 undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate-4-acetamido-4,6-dideoxy-D-galactose pyrophosphate [Undecaprenyl-diphospho N-acetylglucosamine-N-acetylmannosaminuronate-N-acetamido-4,6-dideoxy-D-galactose;lipid III;C55-PP-GlcNAc-ManNAcA-Fuc4NAc;ManNAcA-GlcNAc-Fuc4NAc-pyrophosphorylundecaprenol;ManNAcA-GlcNAc-Fuc4NAc-PP-lipid;] C79H129N3O22P2 1533.854296 NA metacyc NA NA +3189 cystatin S (108-121) EDRMSLVDSRCQEA 1534.6912 celiac toxic Inhouse_peptide NA peptide +FL7AAGGL0034 Delphinidin 3,7,3',5'-tetra(6-O-p-coumaroyl-beta-glucoside) C75H75O35 1535.4088 395680-65-6 knapsack NA NA +2954 mastoparan from venom of Vespula levissii INLKALAALAKKILG 1535.9979 celiac toxic Inhouse_peptide NA peptide +5416 mastoparan INLKALAALAKKILG 1535.9979 ACE inhibitor Inhouse_peptide NA peptide +3922 aurein 1,2, GLFDIIKKIAESFG 1536.8398 neuropeptide Inhouse_peptide NA peptide +7677 ACE inhibitor from b-CN (46-59), rat KFHSGIQSEPKAIP 1537.808 antioxidative Inhouse_peptide NA peptide +7787 de novo designed peptide WEAKLAKALAKALAKHLAKALKAKALCEA 1537.895 MH2+ Inhouse_peptide NA peptide +2994 kinases inhibitor KKALRRQEIVDAL 1538.9109 anticancer Inhouse_peptide NA peptide +3021 kinases inhibitor KKALRRQELVDAL 1538.9109 celiac toxic Inhouse_peptide NA peptide +HMDB11874 Ganglioside GD3 (d18:1/23:0) C75H135N3O29 1541.918091 NA HMDB2010 NA NA +HMDB11891 Ganglioside GM1 (d18:1/18:1(11Z)) C74H130N2O31 1542.865723 NA HMDB2010 NA NA +5497 Corticostatin-related peptide RK-1 MPCSCKKYCDPWEVIDGSCGLFNSKYICCREK 1543.2666 MH2+ Inhouse_peptide NA peptide +HMDB04854 Ganglioside GM1 (18:1/9Z-18:1) C73H129N3O31 1543.86096 http://www.hmdb.ca/metabolites/HMDB04854 HMDB NA NA +HMDB04854 Ganglioside GM1 (18:1/9Z-18:1) C73H129N3O31 1543.86096 HMDB04854 PFEM_hmdb_metabocards_official NA NA +HMDB04854 Ganglioside GM1 (18:1/9Z-18:1) C73H129N3O31 1543.860962 NA HMDB2010 NA NA +HMDB11865 Ganglioside GD3 (d18:0/23:0) C75H137N3O29 1543.933716 NA HMDB2010 NA NA +2995 kinases inhibitor KKALRRQEAFDAL 1544.8639 anticancer Inhouse_peptide NA peptide +HMDB11879 Ganglioside GM1 (d18:0/18:1(11Z)) C74H132N2O31 1544.881348 NA HMDB2010 NA NA +HMDB11880 Ganglioside GM1 (d18:0/18:1(9Z)) C74H132N2O31 1544.881348 NA HMDB2010 NA NA +3007 kinases inhibitor KKALRRQEAVYAL 1544.9 anticancer Inhouse_peptide NA peptide +HMDB10312 CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) C89H142O17P2 1544.972168 NA HMDB2010 NA NA +7762 Pleurocidin analogue from Pleuronectes americanus RWRSFFKKAAHRGKHVGKRARTHYL~ 1545.8665 MH2+ Inhouse_peptide NA peptide +7765 Pleurocidin analogue from Pleuronectes americanus RWRSFFKKAAHRGKHVGKRARTHYL~ 1545.8665 MH2+ Inhouse_peptide NA peptide +HMDB04856 Ganglioside GM1 (18:1/18:0) C73H131N3O31 1545.876709 NA HMDB2010 NA NA +HMDB00117 Ganglioside GM1 C73H131N3O31 1545.87671 http://www.hmdb.ca/metabolites/HMDB00117 PFEM_hmdb_metabocards_urine NA urine +HMDB00117 Ganglioside GM1 C73H131N3O31 1545.87671 http://www.hmdb.ca/metabolites/HMDB00117 Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +HMDB00117 Ganglioside GM1 C73H131N3O31 1545.87671 http://www.hmdb.ca/metabolites/HMDB00117 banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +HMDB00117 Ganglioside GM1 C73H131N3O31 1545.87671 http://www.hmdb.ca/metabolites/HMDB00117 HMDB NA NA +HMDB04856 Ganglioside GM1 (18:1/18:0) C73H131N3O31 1545.87671 http://www.hmdb.ca/metabolites/HMDB04856 HMDB NA NA +HMDB00117 Ganglioside GM1 C73H131N3O31 1545.87671 HMDB00117 PFEM_hmdb_metabocards_official NA NA +HMDB04856 Ganglioside GM1 (18:1/18:0) C73H131N3O31 1545.87671 HMDB04856 PFEM_hmdb_metabocards_official NA NA +7452 coeliac toxic peptide ESQQSQQDEPQPF 1546.6369 antioxidative Inhouse_peptide NA peptide +7453 coeliac toxic peptide FPQPEDQQSQQSE 1546.6369 antioxidative Inhouse_peptide NA peptide +3020 kinases inhibitor KKALRRQEAVDAY 1546.8429 celiac toxic Inhouse_peptide NA peptide +3026 kinases inhibitor KKAYRRQEAVDAL 1546.8429 celiac toxic Inhouse_peptide NA peptide +HMDB11878 Ganglioside GM1 (d18:0/18:0) C74H134N2O31 1546.897095 NA HMDB2010 NA NA +3070 human defensin HNP-4 VCSCRLVFCRRTELRVGNCLIGGVSFTYCCTRV 1547.36645 MH2+ Inhouse_peptide NA peptide +7791 de novo designed peptide (penetratin analogue) LIRLWSHLIHIWFQNRRLKWKKK 1549.41045 MH2+ Inhouse_peptide NA peptide +5375 gaegurin 3 GIMSIVKDVAKTAAKEAAKGALSTLSCKLAKTC 1550.38365 MH2+ Inhouse_peptide NA peptide +4004 NA RPKPQQFFFGLMG 1551.7854 haemolytic Inhouse_peptide NA peptide +3266 NA KKQRFRHRNRQ 1552.8768 celiac toxic Inhouse_peptide NA peptide +3197 crabolin from venom of European hornet Vespa crabr FLPLILRKIVTALG 1552.9919 celiac toxic Inhouse_peptide NA peptide +HMDB04917 Ganglioside GD3 (d18:1/24:1(15Z)) C76H135N3O29 1553.91809 http://www.hmdb.ca/metabolites/HMDB04917 HMDB NA NA +HMDB04917 Ganglioside GD3 (d18:1/24:1(15Z)) C76H135N3O29 1553.91809 HMDB04917 PFEM_hmdb_metabocards_official NA NA +HMDB04917 Ganglioside GD3 (d18:1/24:1(15Z)) C76H135N3O29 1553.918091 NA HMDB2010 NA NA +HMDB11867 Ganglioside GD3 (d18:0/24:1(15Z)) C76H135N3O29 1553.918091 NA HMDB2010 NA NA +3009 kinases inhibitor KKKLRRQEAVDAL 1553.9209 anticancer Inhouse_peptide NA peptide +23 Hemoglobin LGFPTTKTYFPHF 1554.776 celiac toxic Inhouse_peptide NA peptide +5382 Brevinin-2EB GILDTLKNLAKTAGKGALQGLVKMASCKLSGQC 1555.3816 MH2+ Inhouse_peptide NA peptide +2592 tenecin-1 (16-32) NDAACAAHCLFRGRSGGG 1555.7458 NA Inhouse_peptide NA peptide +HMDB04920 Ganglioside GD3 (d18:1/24:0) C76H137N3O29 1555.933716 NA HMDB2010 NA NA +HMDB04920 Ganglioside GD3 (d18:1/24:0) C76H137N3O29 1555.93384 http://www.hmdb.ca/metabolites/HMDB04920 HMDB NA NA +HMDB04920 Ganglioside GD3 (d18:1/24:0) C76H137N3O29 1555.93384 HMDB04920 PFEM_hmdb_metabocards_official NA NA +7675 ACE inhibitor from b-CN (46-59), mouse KVHSSIQSQPQAFT 1556.778 antioxidative Inhouse_peptide NA peptide +3034 calmodulin-binding peptide VYQHQKAMKPWIQPKTKVIPYVRYL 1556.8567 MH2+ Inhouse_peptide NA peptide +3964 NA VYQHQKAMKPWIQPKTKVIPYVRYL 1556.8567 MH2+ Inhouse_peptide NA peptide +5469 (fr,183-207 of bovine alpha s2-casein) VYQHQKAMKPWIQPKTKVIPYVRYL 1556.8567 MH2+ Inhouse_peptide NA peptide +5396 gaegurin 2 GIMSIVKDVAKNAAKEAAKGALSTLSCKLAKTC 1556.8816 MH2+ Inhouse_peptide NA peptide +3188 cystatin S (61-73) VNYFFDVEVGRTI 1557.7678 celiac toxic Inhouse_peptide NA peptide +HMDB11866 Ganglioside GD3 (d18:0/24:0) C76H139N3O29 1557.949463 NA HMDB2010 NA NA +2988 kinases inhibitor KKALRRQEAYDAL 1560.8589 anticancer Inhouse_peptide NA peptide +2639 synthetic fr, of human beta-CN (40-52) ACE inhibitor IYPSFQPQPLIYP 1561.802 NA Inhouse_peptide NA peptide +5451 caeridin 4 GLLDVVGNVLHSLGLG 1561.8678 ACE inhibitor Inhouse_peptide NA peptide +C13613 Teicoplanin A3-1 C72H68Cl2N8O28 1562.352 NA KEGG NA NA +C13614 Transferred to D02101 C72H68Cl2N8O28 1562.352 NA KEGG NA NA +C13615 Transferred to D02102 C72H68Cl2N8O28 1562.352 NA KEGG NA NA +C13616 Transferred to D02103 C72H68Cl2N8O28 1562.352 NA KEGG NA NA +C13617 Transferred to D02104 C72H68Cl2N8O28 1562.352 NA KEGG NA NA +C13618 Transferred to D02105 C72H68Cl2N8O28 1562.352 NA KEGG NA NA +C13619 Transferred to D02106 C72H68Cl2N8O28 1562.352 NA KEGG NA NA +MetaCyc04436 N4-{N-acetyl-β-D-glucosaminyl-(1,2)-α-D-mannosyl-(1,3)-[N-acetyl-β-D-glucosaminyl-(1,2)-α-D-mannosyl-(1,6)]-[β-D-xylosyl-(1,2)]-β-D-mannosyl-(1,4)-N-acetyl-β-D-glucosaminyl-(1,4)-N-acetyl-β-D-glucosaminyl}asparagine [GnGnX-glycopeptide;GnGnX-GP;] C59H98N6O42 1562.571711 NA metacyc NA NA +3036 insulin secretion inhibitor YNVEHAVDYVERA 1563.7168 ACE inhibitor Inhouse_peptide NA peptide +C17516 Capsianside A C76H124O33 1564.8025 NA KEGG NA NA +5546 BMAP-28 (cathelicidin) GGLRSLGRKILRAWKKYGPIIVPIIRIG 1564.96495 MH2+ Inhouse_peptide NA peptide +7059 coeliac toxic peptide LQLQPFPQPQLPY 1567.823 antioxidative Inhouse_peptide NA peptide +HMDB04921 Ganglioside GD3 (d18:1/25:0) C77H139N3O29 1569.94946 http://www.hmdb.ca/metabolites/HMDB04921 HMDB NA NA +HMDB04921 Ganglioside GD3 (d18:1/25:0) C77H139N3O29 1569.94946 HMDB04921 PFEM_hmdb_metabocards_official NA NA +HMDB04921 Ganglioside GD3 (d18:1/25:0) C77H139N3O29 1569.949463 NA HMDB2010 NA NA +6995 potential coeliac toxic peptide (extended motif) QGSFRPSQQNPQAQ 1571.7279 antioxidative Inhouse_peptide NA peptide +HMDB11868 Ganglioside GD3 (d18:0/25:0) C77H141N3O29 1571.965088 NA HMDB2010 NA NA +2759 rat NP-2 defensin VTCYCRSTRCGFRERLSGACGYRGRIYRLCCR 1572.85305 MH2+ Inhouse_peptide NA peptide +HMDB04857 Ganglioside GM1 (18:1/20:0) C75H135N3O31 1573.907959 NA HMDB2010 NA NA +HMDB04857 Ganglioside GM1 (18:1/20:0) C75H135N3O31 1573.90796 http://www.hmdb.ca/metabolites/HMDB04857 HMDB NA NA +HMDB04857 Ganglioside GM1 (18:1/20:0) C75H135N3O31 1573.90796 HMDB04857 PFEM_hmdb_metabocards_official NA NA +7763 Pleurocidin analogue from Pleuronectes americanus RWRSFFKKAAHRGKHVGKRARTHYLG 1574.869 MH2+ Inhouse_peptide NA peptide +7764 Pleurocidin analogue from Pleuronectes americanus RWRSFFKKAAHRGKHVGKRARTHYLG 1574.869 MH2+ Inhouse_peptide NA peptide +HMDB11881 Ganglioside GM1 (d18:0/20:0) C76H138N2O31 1574.928345 NA HMDB2010 NA NA +5395 gaegurin 1 SLFSLIKAGAKFLGKNLLKQGACYAACKASKQC 1575.40345 MH2+ Inhouse_peptide NA peptide +MetaCyc04437 N4-{N-acetyl-β-D-glucosaminyl-(1,2)-α-D-mannosyl-(1,3)-[N-acetyl-β-D-glucosaminyl-(1,2)-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1,4)-N-acetyl-β-D-glucosaminyl-(1,4)-[α-L-fucosyl-(1,6)]-N-acetyl-β-D-glucosaminyl}asparagine [] C60H100N6O42 1576.587361 NA metacyc NA NA +MetaCyc04438 N(4)-{N-acetyl-β-D-glucosaminyl-(1,2)-α-D-mannosyl-(1,3)-[N-acetyl-β-D-glucosaminyl-(1,2)-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1,4)-N-acetyl-β-D-glucosaminyl-(1,4)-[α-L-fucosyl-(1,3)]-N-acetyl-β-D-glucosaminyl}asparagine [] C60H100N6O42 1576.587361 NA metacyc NA NA +3946 mytilin B from Mytilum edulis SCASRCKGHCRARRCGYYVSVLYRGRCYCKCLRC 1577.37095 MH2+ Inhouse_peptide NA peptide +3224 brevinin-2E GIMDTLKNLAKTAGKGALQSLLNKASCKLSGQC 1577.8745 MH2+ Inhouse_peptide NA peptide +8173 peptide derived from bovine b-casein (1-28) RELEELNVPGEIVESLSSSEESITRINK 1578.2979 MH2+ Inhouse_peptide NA peptide +EUR078 5-deoxyadenosyl cobalamin C72H100CoN18O17P 1578.6583 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR078 5-deoxyadenosyl cobalamin C72H100CoN18O17P 1578.6583 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR078 5-deoxyadenosyl cobalamin C72H100CoN18O17P 1578.6583 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR078 5-deoxyadenosyl cobalamin C72H100CoN18O17P 1578.6583 Wishlist Inhousejuil11 NA NA +C00194 Cobamide coenzyme C72H100CoN18O17P 1578.6583 NA KEGG NA NA +C00195 N-Acylsphingosine C19H36NO3R 1578.6583 NA KEGG NA NA +HMDB02086 Adenosylcobalamin C72H100CoN18O17P 1578.658325 NA HMDB2010 NA NA +HMDB02086 Adenosylcobalamin C72H100CoN18O17P 1578.65833 http://www.hmdb.ca/metabolites/HMDB02086 HMDB NA NA +HMDB02086 Adenosylcobalamin C72H100CoN18O17P 1578.65833 HMDB02086 PFEM_hmdb_metabocards_official NA NA +EUR078 5-deoxyadenosyl cobalamin C72H100CoN18O17P 1578.658339 Wishlist PFEM_hmdb_metabocards_urine NA urine +EUR078 5-deoxyadenosyl cobalamin C72H100CoN18O17P 1578.658339 Wishlist BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +EUR078 5-deoxyadenosyl cobalamin C72H100CoN18O17P 1578.658339 Wishlist Banques_urine_inhousejuill11&pfem_hmdburine&junotneg negative urine +EUR078 5-deoxyadenosyl cobalamin C72H100CoN18O17P 1578.658339 Wishlist banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS positive urine +EUR078 5-deoxyadenosyl cobalamin C72H100CoN18O17P 1578.658339 Wishlist HMDB NA NA +EUR078 5-deoxyadenosyl cobalamin C72H100CoN18O17P 1578.658339 Wishlist Inhouse_PFEM NA NA +EUR078 5-deoxyadenosyl cobalamin C72H100CoN18O17P 1578.658339 Wishlist PFEM_hmdb_metabocards_blood NA blood +EUR078 5-deoxyadenosyl cobalamin C72H100CoN18O17P 1578.658339 Wishlist PFEM_hmdb_metabocards_official NA NA +3038 insulin secretion inhibitor IEYNVEHAVDYVE 1578.7048 celiac toxic Inhouse_peptide NA peptide +8175 bovine lactoferricin B FKCRRWQWRMKKLGAPSITCVRRAF 1578.8207 MH2+ Inhouse_peptide NA peptide +5397 Brevinin-2EF GIMDTLKNLAKTAGKGALQSLVKMASCKLSGQC 1579.36525 MH2+ Inhouse_peptide NA peptide +MetaCyc04439 coenzyme B12 [adenosylcobalamin;Cobamide coenzyme;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;Cobamamid;5,6-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;Cobinamide, Co-(5'-deoxyadenosine-5') derivative hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole;(5'-Deoxy-5'-adenosyl)cobamide coenzyme;(5,6-dimethylbenzimidazolyl)cobamide coenzyme;a-(5,6-Dimethylbenzimidazolyl)cobamide coenzyme;5'-Deoxy-5'-adenosylcobalamin;5'-Deoxyadenosyl vitamin B12;5'-Deoxyadenosyl-5,6-dimethylbenzimidazolylcobamide;5'-Deoxyadenosylcobalamin;5,6-Dimethylbenzimidazolyl-Co-5'-deoxyadenosylcobamide;Calomide;Cobalamin coenzyme;Cobalamin, Co-(5'-deoxy-5'-adenosyl)-;Cobamide coenzyme, (5'-deoxy-5'-adenosyl)-;Cobamide coenzyme, (5,6-dimethyl-1H-benzimidazolyl)-;Cobinamide, Co-(5'-deoxyadenosine-5') deriv.,;Cobinamide, Co-(5'-deoxyadenosine-5') deriv., hydroxide, 3'-ester with 5,6-dimethyl-1-a-D-ribofuranosylbenzimidazole;DBC coenzyme;Dibencozide;Funacomide;Vitamin B12, Co-(5'-deoxy-5'-adenosyl) deriv.;] C72H101N18O17P1COBALT1 1579.666171 13870-90-1 metacyc NA NA +3865 vespa-like peptide from V, Orientalis FLPLILGKLVKGLLG 1580.027 neuropeptide Inhouse_peptide NA peptide +2696 NA IEGPTLRQWLAARA 1580.864 celiac toxic Inhouse_peptide NA peptide +7068 coeliac toxic peptide FPQQPQQPYPQQP 1581.739 antioxidative Inhouse_peptide NA peptide +HMDB04918 Ganglioside GD3 (d18:1/26:1(17Z)) C78H139N3O29 1581.94946 http://www.hmdb.ca/metabolites/HMDB04918 HMDB NA NA +HMDB04918 Ganglioside GD3 (d18:1/26:1(17Z)) C78H139N3O29 1581.94946 HMDB04918 PFEM_hmdb_metabocards_official NA NA +HMDB04918 Ganglioside GD3 (d18:1/26:1(17Z)) C78H139N3O29 1581.949463 NA HMDB2010 NA NA +C06765 Flavomycin C69H107N4O35P 1582.6453 NA KEGG NA NA +C06766 alpha-Factor C69H107N4O35P 1582.6453 NA KEGG NA NA +8207 RL-Y6/G6 - synthetic peptide AMRLTGNRPCLYAT 1582.7573 NA ;SYN:(Dimethylamino)acetate; (Dimethylamino)acetic acid; 2-(Dimethylamino)acetate; 2-(Dimethylamino)acetic acid; Dimethylglycine; N,N-Dimethylaminoacetate; N,N-Dimethylaminoacetic acid; N,N-Dimethylglycine; N-Methylsarcosine N,N-dimethyl-GlycineH2Blood; Urine Inhouse_peptide NA peptide +8210 RL-Y12/G12 - synthetic peptide AMRLTYNRPCLGAT 1582.7573 NA ;SYN:L-(+)-Cystathionine; Cystathionine; (R)-S-(2-amino-2-carboxyethyl)-L-Homocysteine; [R-(R*,S*)]-2-amino-4-[(2-amino-2-carboxyethyl)thio]-Butanoic acid; S-[(2R)-2-amino-2-carboxyethyl]-L-Homocysteine; [R-(R*,S*)]-2-amino-4-[(2-amino-2-carboxyethyl)thio]-ButanoateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +FL7AACGL0101 Cyanidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-4-O-(6-O-(trans-caffeyl)-beta-D-glucopyranposyl)caffeyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside] C72H79O40 1583.4147 756795-04-7 knapsack NA NA +HMDB04919 Ganglioside GD3 (d18:1/26:0) C78H141N3O29 1583.965088 NA HMDB2010 NA NA +HMDB11870 Ganglioside GD3 (d18:0/26:1(17Z)) C78H141N3O29 1583.965088 NA HMDB2010 NA NA +HMDB04919 Ganglioside GD3 (d18:1/26:0) C78H141N3O29 1583.96509 http://www.hmdb.ca/metabolites/HMDB04919 HMDB NA NA +HMDB04919 Ganglioside GD3 (d18:1/26:0) C78H141N3O29 1583.96509 HMDB04919 PFEM_hmdb_metabocards_official NA NA +HMDB00809 N-Glycoloylganglioside GM1 C77H139N3O30 1585.944336 NA HMDB2010 NA NA +HMDB00809 N-Glycoloylganglioside GM1 C77H139N3O30 1585.94434 http://www.hmdb.ca/metabolites/HMDB00809 HMDB NA NA +HMDB00809 N-Glycoloylganglioside GM1 C77H139N3O30 1585.94434 HMDB00809 PFEM_hmdb_metabocards_official NA NA +HMDB11869 Ganglioside GD3 (d18:0/26:0) C78H143N3O29 1585.980713 NA HMDB2010 NA NA +C17417 Onjisaponin F C75H112O36 1588.6933 NA KEGG NA NA +3003 kinases inhibitor KKYLRRQEAVDAL 1588.8899 anticancer Inhouse_peptide NA peptide +3017 kinases inhibitor KKALRRQEYVDAL 1588.8899 celiac toxic Inhouse_peptide NA peptide +3018 kinases inhibitor KKALRRQEAVDYL 1588.8899 celiac toxic Inhouse_peptide NA peptide +5371 dermaseptin B2 GLWSKIKEVGKEAAKAAAKAAGKAALGAVSEAVG 1589.89 MH2+ Inhouse_peptide NA peptide +C12014 Chloroeremomycin C73H88Cl2N10O26 1590.5248 NA KEGG NA NA +HMDB04923 Ganglioside GD2 (d18:1/12:0) C72H126N4O34 1590.825317 NA HMDB2010 NA NA +HMDB04923 Ganglioside GD2 (d18:1/12:0) C72H126N4O34 1590.82532 http://www.hmdb.ca/metabolites/HMDB04923 HMDB NA NA +HMDB04923 Ganglioside GD2 (d18:1/12:0) C72H126N4O34 1590.82532 HMDB04923 PFEM_hmdb_metabocards_official NA NA +HMDB11837 Ganglioside GD2 (d18:0/12:0) C73H129N3O34 1591.845703 NA HMDB2010 NA NA +3711 NA SSRDRNKPFKFVL 1592.8638 ACE inhibitor Inhouse_peptide NA peptide +7063 coeliac toxic peptide QQPFQQQQQPLPQ 1593.772 antioxidative Inhouse_peptide NA peptide +2703 seminal -plasmin from bovine seminal fluid CIGNGGRCNENVGPPYCCSGFCCLRQPNQGYGVCRNA 1593.7727 MH2+ Inhouse_peptide NA peptide +7773 phosphophoryn biomimetic peptide DDPNDSSDESNGNDD 1594.5011 antioxidative Inhouse_peptide NA peptide +2951 mastoparan from vespa vasalis LKLKSIVAWAKKVL~ 1595.049 celiac toxic Inhouse_peptide NA peptide +HMDB11892 Ganglioside GM1 (d18:1/22:1(13Z)) C78H138N2O31 1598.928345 NA HMDB2010 NA NA +HMDB11883 Ganglioside GM1 (d18:0/22:1(13Z)) C78H140N2O31 1600.94397 NA HMDB2010 NA NA +3022 kinases inhibitor KKKLRRQEAFDAL 1601.9209 celiac toxic Inhouse_peptide NA peptide +HMDB04858 Ganglioside GM1 (18:1/22:0) C77H139N3O31 1601.939209 NA HMDB2010 NA NA +HMDB04858 Ganglioside GM1 (18:1/22:0) C77H139N3O31 1601.93921 http://www.hmdb.ca/metabolites/HMDB04858 HMDB NA NA +HMDB04858 Ganglioside GM1 (18:1/22:0) C77H139N3O31 1601.93921 HMDB04858 PFEM_hmdb_metabocards_official NA NA +3967 NA FLSFPTTKTYFPHFDLSHGSAQVKGHGAK 1602.2949 MH2+ Inhouse_peptide NA peptide +3968 NA FLSFPTTKTYFPHFDLSHGSAQVKGHGAK 1602.2949 MH2+ Inhouse_peptide NA peptide +47 Hemoglobin FLSFPTTKTYFPHFDLSHGSAQVKGHGAK 1602.311 MH2+ Inhouse_peptide NA peptide +5438 lycotoxin 2 KIKWFKTMKSIAKFIAKEQMKKHLGGE 1602.3894 MH2+ Inhouse_peptide NA peptide +HMDB11882 Ganglioside GM1 (d18:0/22:0) C78H142N2O31 1602.959717 NA HMDB2010 NA NA +8237 Antioxidative peptide AIEWEGIESGSVEQA 1603.721 NA ;SYN:(2S,3S)-2-Amino-3-methylpentanoate; (2S,3S)-2-Amino-3-methylpentanoic acid; (2S,3S)-2-amino-3-methyl-Pentanoate; (2S,3S)-2-amino-3-methyl-Pentanoic acid; (2S,3S)-a-Amino-b-methyl-n-valerate; (2S,3S)-a-Amino-b-methyl-n-valeric acid; (2S,3S)-a-Amino-b-methylvalerate; (2S,3S)-a-Amino-b-methylvaleric acid; (2S,3S)-alph-Amino-beta-methylvalerate; (2S,3S)-alph-Amino-beta-methylvaleric acid; (2S,3S)-alpha-Amino-beta-merthyl-n-valerate; (2S,3S)-alpha-Amino-beta-merthyl-n-valeric acid; (2S,3S)-alpha-Amino-beta-merthylvalerate; (2S,3S)-alpha-Amino-beta-merthylvaleric acid; (2S,3S)-alpha-Amino-beta-methyl-n-valerate; (2S,3S)-alpha-Amino-beta-methyl-n-valeric acid; (2S,3S)-alpha-Amino-beta-methylvalerate; (2S,3S)-alpha-Amino-beta-methylvaleric acid; (S)-Isoleucine; (S,S)-Isoleucine; 2-Amino-3-methylpentanoate; 2-Amino-3-methylpentanoic acid; 2-Amino-3-methylvalerate; 2-Amino-3-methylvaleric acid; 2S,3S-Isoleucine; Ile; Isoleucine; L-(+)-Isoleucine; L-Ile; [S-(R*,R*)]-2-Amino-3-methylpentanoate; [S-(R*,R*)]-2-Amino-3-methylpentanoic acid; erythro-L-Isoleucine; iso-leucineH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +6990 potential coeliac toxic peptide (extended motif) PQNPSQQQPQEQVP 1603.7409 antioxidative Inhouse_peptide NA peptide +7437 coeliac toxic peptide VQGQGIIQPQQPAQL 1603.851 antioxidative Inhouse_peptide NA peptide +C13897 sn-Caldito-1-phosphoethanolamine C94H190NO15P 1604.3873 NA KEGG NA NA +5357 Antimicrobial peptide CHP2 [Fragment] GRKSDCFRKNGFCAFLKCPYLTLISGLCSXFHLC 1605.8729 MH2+ Inhouse_peptide NA peptide +2760 rat NP-1 defensin VTCYCRRTRCGFRERLSGACGYRGRIYRLCCR 1607.38745 MH2+ Inhouse_peptide NA peptide +3086 guinea pig defensin GPNP RRCICTTRTCRFPYRRLGTCIFQNRVYTFCC 1608.88295 MH2+ Inhouse_peptide NA peptide +4000 [F10A] AVR9 YCNSSCTRAADCLGQCGRCDFHKLQCVH 1609.60935 MH2+ Inhouse_peptide NA peptide +5389 dermaseptin B1 AMWKDVLKKIGTVALHAGKAALGAVADTISQG 1609.87915 MH2+ Inhouse_peptide NA peptide +7062 coeliac toxic peptide VQGQGHQPPQQPAQL 1611.793 antioxidative Inhouse_peptide NA peptide +8100 peptide derived from oyster (Crassostrea gigas) LKQELEDLLEKQE 1613.8349 inhibitor Inhouse_peptide NA peptide +3915 citropin 1,1 from Australian frog GLFDVIKKVASVIGGL~ 1613.9708 neuropeptide Inhouse_peptide NA peptide +3923 aurein 2,1 GLLDIVKKVVGAFGSL~ 1613.9708 neuropeptide Inhouse_peptide NA peptide +3925 aurein 2,2 GLFDIVKKVVGALGSL~ 1613.9708 neuropeptide Inhouse_peptide NA peptide +3927 aurein 2,3, GLFDIVKKVVGAIGSL~ 1613.9708 neuropeptide Inhouse_peptide NA peptide +4015 Citropin 1,1 GLFDVIKKVASVIGGL~ 1613.9708 antifungal Inhouse_peptide NA peptide +3910 citropin 1,1 from Australian frog GLFDVIKKVASVIGGL~ 1613.9709 neuropeptide Inhouse_peptide NA peptide +3743 f(17-42) of bovine lactoferrin FKCRRWQWRMKKLGAPSITCVRRAFA 1614.3392 MH2+ Inhouse_peptide NA peptide +HMDB11893 Ganglioside GM1 (d18:1/23:0) C79H142N2O31 1614.959717 NA HMDB2010 NA NA +HMDB11884 Ganglioside GM1 (d18:0/23:0) C79H144N2O31 1616.975342 NA HMDB2010 NA NA +HMDB11852 Ganglioside GD2 (d18:1/14:0) C75H131N3O34 1617.86145 NA HMDB2010 NA NA +2687 NA GGCADGPTLREWISFCGG 1618.7579 celiac toxic Inhouse_peptide NA peptide +C12013 Daptomycin C72H101N17O26 1619.7104 NA KEGG NA NA +HMDB11838 Ganglioside GD2 (d18:0/14:0) C75H133N3O34 1619.877075 NA HMDB2010 NA NA +FL7AACGL0094 Cyanidin 3-O-[6-O-(malonyl)-beta-D-glucopyranoside]-7-O-[6-O-(trans-p-coumaryl)-beta-D-glucopyranoside]-3'-O-[6-O-(trans-4-O-(6-O-(trans-4-O-(beta-D-glucopyranosyl)-p-coumaryl)-beta-D-glucopyranoside] C75H81O40 1621.4304 - knapsack NA NA +3037 insulin secretion inhibitor DRIEYNVEHAVDY 1621.7228 celiac toxic Inhouse_peptide NA peptide +3116 adrenocorticotropin hormone fr,:1-13 SYSMEHFRWGKPV 1622.7504 celiac toxic Inhouse_peptide NA peptide +3709 NA SSRDRNKPFKFML 1624.8362 ACE inhibitor Inhouse_peptide NA peptide +MetaCyc04440 (KDO)-lipid IVA [3-Deoxy-D-manno-octulosonyl-lipid IV(A);] C76H142N2O30P2 1624.912264 NA metacyc NA NA +C06024 3-Deoxy-D-manno-octulosonyl-lipid IV(A) C76H142N2O30P2 1624.9123 NA KEGG NA NA +5462 aurein 3,1,2 FDIVKKIAGHIAGSIG 1624.9139 ACE inhibitor Inhouse_peptide NA peptide +C13874 Gentiobiosyl-caldarchaeol C98H192O16 1625.421 NA KEGG NA NA +8208 RL-C10/G10 - synthetic peptide AMRLTYNRPGLYAT 1625.8203 Short chain quaternary ammonium salts ;SYN:(2-Hydroxyethyl)trimethyl ammonium; (2-Hydroxyethyl)trimethylammonium; (beta-hydroxyethyl)trimethylammonium; 2-hydroxy-N,N,N-trimethylethanaminium; Bilineurine; Biocolina; Biocoline; Choline; Choline cation; Choline ion; Cholinum; Hepacholine; Hormocline; Lipotril; N,N,N-trimethylethanolammonium; Neocolina; Paresan; 2-hydroxy-N,N,N-trimethyl-ethanaminium; N,N,N-trimethylethanol-ammoniumH2Blood; Breast Milk; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +7447 coeliac toxic peptide GQQGYYPTSVQQSGQ 1626.71 antioxidative Inhouse_peptide NA peptide +8197 f(25-40) of bovine b-lactoglobulin AASDISLLDAQSAPLR 1626.8448 Short chain acyl carnitines ;SYN:(-)-(R)-3-Hydroxy-4-(trimethylammonio)butyrate; (-)-carnitine; (R)-(3-Carboxy-2-hydroxypropyl)trimethylammonium hydroxide; (r)-carnitine; (s)-carnitine; 1-carnitine; 3-carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium; Bicarnesine; Carnilean; Carnitene; Carnitine; Carnitor; D-carnitine; delta-carnitine; DL-carnitine; Gamma-trimethyl-ammonium-beta-hydroxybutirate; Gamma-trimethyl-beta-hydroxybutyrobetaine; Gamma-trimethyl-hydroxybutyrobetaine; Karnitin; L-(-)-carnitine; L-carnitine; L-gamma-trimethyl-beta-hydroxybutyrobetaine; Levocarnitina; Levocarnitine; Levocarnitinum; R-(-)-3-hydroxy-4-trimethylaminobutyrate; Vitamin BT; Carniking; Carniking 50; Carnipass; Carnipass 20; 3-hydroxy-4-trimethylammoniobutanoate; 3-hydroxy-4-trimethylammoniobutanoic acidH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +5543 SMAP-29 (cathelicidin) RGLRRLGRKIAHGVKKYGPTVLRIIRIAG 1627.0055 MH2+ Inhouse_peptide NA peptide +6992 potential coeliac toxic peptide (extended motif) QQQKQQQQPSSQVS 1627.774 antioxidative Inhouse_peptide NA peptide +3339 human beta-casein fr, 48-61 KIHPFAQTQSLVYP 1627.855 celiac toxic Inhouse_peptide NA peptide +HMDB04859 Ganglioside GM1 (d18:1/24:1(15Z)) C79H141N3O31 1627.954956 NA HMDB2010 NA NA +HMDB04859 Ganglioside GM1 (d18:1/24:1(15Z))) C79H141N3O31 1627.95496 http://www.hmdb.ca/metabolites/HMDB04859 HMDB NA NA +HMDB04859 Ganglioside GM1 (d18:1/24:1(15Z))) C79H141N3O31 1627.95496 HMDB04859 PFEM_hmdb_metabocards_official NA NA +3929 aurein 2,4 GLFDIVKKVVGTIAGL~ 1627.9858 neuropeptide Inhouse_peptide NA peptide +3933 aurein 2,6 GLFDIAKKVIGVIGSL~ 1627.9869 neuropeptide Inhouse_peptide NA peptide +5460 aurein 2,4 GLFDIVKKVVGTIAGL 1628.9699 ACE inhibitor Inhouse_peptide NA peptide +7046 aurein 2,6 GLFDIAKKVIGVIGSL 1628.9709 antioxidative Inhouse_peptide NA peptide +HMDB11886 Ganglioside GM1 (d18:0/24:1(15Z)) C80H144N2O31 1628.975342 NA HMDB2010 NA NA +C12050 Everninomycin C70H97Cl2NO38 1629.5066 NA KEGG NA NA +3100 fragment of beta-amyloid protein:Q11-1-28 DAEFRHDSGYQVHHQKLVFFAEDVGSNK 1629.76075 MH2+ Inhouse_peptide NA peptide +7724 NA NKLASVYALTPSLRV~ 1629.9419 antioxidative Inhouse_peptide NA peptide +HMDB04863 Ganglioside GM1 (d18:1/24:0) C79H143N3O31 1629.97058 http://www.hmdb.ca/metabolites/HMDB04863 HMDB NA NA +HMDB04863 Ganglioside GM1 (d18:1/24:0) C79H143N3O31 1629.97058 HMDB04863 PFEM_hmdb_metabocards_official NA NA +HMDB04863 Ganglioside GM1 (d18:1/24:0) C79H143N3O31 1629.970581 NA HMDB2010 NA NA +3103 fragment of beta-amyloid protein:1-28 DAEFRHDSGYEVHHQKLVFFAEDVGSNK 1630.2528 MH2+ Inhouse_peptide NA peptide +HMDB11885 Ganglioside GM1 (d18:0/24:0) C80H146N2O31 1630.990967 NA HMDB2010 NA NA +3999 [R8K] AVR9 YCNSSCTKAFDCLGQCGRCDFHKLQCVH 1633.62135 MH2+ Inhouse_peptide NA peptide +HMDB02202 Glutathionylcobalamin C72H104CoN16O20PS 1634.640259 NA HMDB2010 NA NA +HMDB02202 Glutathionylcobalamin Not Available 1634.64026 http://www.hmdb.ca/metabolites/HMDB02202 HMDB NA NA +HMDB02202 Glutathionylcobalamin Not Available 1634.64026 HMDB02202 PFEM_hmdb_metabocards_official NA NA +2767 rabbit defensin NP-1 VVCACRRALCLPRERRAGFCRIRGRIHPLCCRR 1638.4955 MH2+ Inhouse_peptide NA peptide +HMDB06798 1,4-b-D-Mannan C60H102O51 1638.538818 NA HMDB2010 NA NA +3898 temporin L FVQWFSKFLGRIL~ 1638.9249 neuropeptide Inhouse_peptide NA peptide +5545 BMAP-27 (cathelicidin) GRFKRFRKKFKKLFKKLSPVIPLLHLG 1640.5205 MH2+ Inhouse_peptide NA peptide +3949 mytilin G1 from Mytilum edulis VVTCGSLCKAHCTFRKCGYFMAVLYHGRCYCRCLLC 1641.3877 MH2+ Inhouse_peptide NA peptide +7732 NA SENFTPWAYIILNGEAPIIREVHYSPRL~ 1641.8474 MH2+ Inhouse_peptide NA peptide +5442 caprine LF (from caprine lactoferrin 14-42) PEWSKCYQWQRRMRKLGAPSITCVRRTSA 1643.86865 MH2+ Inhouse_peptide NA peptide +HMDB04865 Ganglioside GM1 (d18:1/25:0) C80H145N3O31 1643.986206 NA HMDB2010 NA NA +HMDB04865 Ganglioside GM1 (d18:1/25:0) C80H145N3O31 1643.98621 http://www.hmdb.ca/metabolites/HMDB04865 HMDB NA NA +HMDB04865 Ganglioside GM1 (d18:1/25:0) C80H145N3O31 1643.98621 HMDB04865 PFEM_hmdb_metabocards_official NA NA +5392 rugosin A GLLNTFKDWAISIAKGAGKGVLTTLSCKLDKSCG 1644.4114 MH2+ Inhouse_peptide NA peptide +HMDB11887 Ganglioside GM1 (d18:0/25:0) C81H148N2O31 1645.006592 NA HMDB2010 NA NA +5356 Antimicrobial peptide THP1 GKREKCLRRNGFCAFLKCPTLSVISGTCSRFQVCC 1645.92345 MH2+ Inhouse_peptide NA peptide +HMDB04925 Ganglioside GD2 (d18:1/16:0) C76H134N4O34 1646.887939 NA HMDB2010 NA NA +HMDB04925 Ganglioside GD2 (d18:1/16:0) C76H134N4O34 1646.88794 http://www.hmdb.ca/metabolites/HMDB04925 HMDB NA NA +HMDB04925 Ganglioside GD2 (d18:1/16:0) C76H134N4O34 1646.88794 HMDB04925 PFEM_hmdb_metabocards_official NA NA +C12035 Chlorobiphenyl-vancomycin C79H84Cl3N9O24 1647.4695 NA KEGG NA NA +3997 39904 YCNSSCTRAFDCLGQCGRCDFHKLQCVH 1647.62485 MH2+ Inhouse_peptide NA peptide +6996 potential coeliac toxic peptide (extended motif) QPFPPQQPYPQPQP 1647.785 antioxidative Inhouse_peptide NA peptide +HMDB11839 Ganglioside GD2 (d18:0/16:0) C77H137N3O34 1647.908325 NA HMDB2010 NA NA +5318 aurein 2,5 GLFDIVKKVVGAFGSL~ 1647.9548 binding Inhouse_peptide NA peptide +6993 potential coeliac toxic peptide (extended motif) LQPQNPSQQQPQEQ 1648.7629 antioxidative Inhouse_peptide NA peptide +7045 aurein 2,5 GLFDIVKKVVGAFGSL 1648.9389 antioxidative Inhouse_peptide NA peptide +3110 adrenocorticotropin hormone fr,:11-24 KPVGKKRRPVKVYP 1651.022 celiac toxic Inhouse_peptide NA peptide +7451 coeliac toxic peptide QSGQYQQQPQMQTT 1651.7084 antioxidative Inhouse_peptide NA peptide +3024 kinases inhibitor KKKLRRQEAFDAY 1651.8999 celiac toxic Inhouse_peptide NA peptide +2766 rabbit defensin NP-2 VVCACRRALCLPLERRAAGFCRIRGRIHPLCCRR 1652.5055 MH2+ Inhouse_peptide NA peptide +7417 coeliac toxic peptide QPFPQPQQPFPQSQ 1652.776 antioxidative Inhouse_peptide NA peptide +2952 mastoparan from vespa vasalis LKLKSIVAWAKKVLG 1653.054 celiac toxic Inhouse_peptide NA peptide +HMDB06680 Disialyllacto-N-hexaose II C62H102N4O47 1654.57141 http://www.hmdb.ca/metabolites/HMDB06680 HMDB NA NA +HMDB06681 Disialyllacto-N-hexaose I C62H102N4O47 1654.57141 http://www.hmdb.ca/metabolites/HMDB06681 HMDB NA NA +HMDB06680 Disialyllacto-N-hexaose II C62H102N4O47 1654.57141 HMDB06680 PFEM_hmdb_metabocards_official NA NA +HMDB06681 Disialyllacto-N-hexaose I C62H102N4O47 1654.57141 HMDB06681 PFEM_hmdb_metabocards_official NA NA +HMDB06680 Disialyllacto-N-hexaose II C62H102N4O47 1654.571411 NA HMDB2010 NA NA +HMDB06681 Disialyllacto-N-hexaose I C62H102N4O47 1654.571411 NA HMDB2010 NA NA +7049 Arginine deiminase (Streptococcus pyogenes) TAQTPIHVYSEIGKL 1655.871 antioxidative Inhouse_peptide NA peptide +5419 porcine lactoferrin LFP SKCRQWSKIRRTNP 1655.9178 ACE inhibitor Inhouse_peptide NA peptide +HMDB04860 Ganglioside GM1 (d18:1/26:1(17Z))) C81H145N3O31 1655.986206 NA HMDB2010 NA NA +HMDB04860 Ganglioside GM1 (d18:1/26:1(17Z))) C81H145N3O31 1655.98621 http://www.hmdb.ca/metabolites/HMDB04860 HMDB NA NA +HMDB04860 Ganglioside GM1 (d18:1/26:1(17Z))) C81H145N3O31 1655.98621 HMDB04860 PFEM_hmdb_metabocards_official NA NA +5383 Brevinin-2EC GILLDKLKNFAKTAGKGVLQSLLNTASCKLSGQC 1656.4458 MH2+ Inhouse_peptide NA peptide +HMDB11889 Ganglioside GM1 (d18:0/26:1(17Z)) C82H148N2O31 1657.006592 NA HMDB2010 NA NA +MetaCyc04441 adenosylcobalamin-5'-phosphate [] C72H100N18O20P2COBALT1 1657.616851 NA metacyc NA NA +HMDB04861 Ganglioside GM1 (d18:1/26:0) C81H147N3O31 1658.00183 http://www.hmdb.ca/metabolites/HMDB04861 HMDB NA NA +HMDB04861 Ganglioside GM1 (d18:1/26:0) C81H147N3O31 1658.00183 HMDB04861 PFEM_hmdb_metabocards_official NA NA +HMDB04861 Ganglioside GM1 (d18:1/26:0) C81H147N3O31 1658.001831 NA HMDB2010 NA NA +HMDB11888 Ganglioside GM1 (d18:0/26:0) C82H150N2O31 1659.022217 NA HMDB2010 NA NA +8272 f(87-115) of human lysozyme DNIADAVACAKRVVRDPQGIRAWVAWRNR 1661.35825 MH2+ Inhouse_peptide NA peptide +MetaCyc04442 adenosylcobinamide-GDP [Adenosine-GDP-cobinamide;] C68H95N21O21P2COBALT1 1662.581862 NA metacyc NA NA +3689 NA FEWNYVEFSWASV 1662.7209 ACE inhibitor Inhouse_peptide NA peptide +7420 coeliac toxic peptide PQQPFPQPQQPFPQ 1662.796 antioxidative Inhouse_peptide NA peptide +C12054 Thiostrepton C72H85N19O18S5 1663.4924 NA KEGG NA NA +C06510 Adenosine-GDP-cobinamide C68H97CoN21O21P2 1664.5975 NA KEGG NA NA +HMDB12185 Adenosylcobinamide-GDP C68H97CoN21O21P2 1664.597534 NA HMDB2010 NA NA +7060 coeliac toxic peptide PQPQLPYPQPQLPY 1664.838 antioxidative Inhouse_peptide NA peptide +7044 potential coeliac toxic peptide (extended motif) PFPPQQPYPQPQPF 1666.795 antioxidative Inhouse_peptide NA peptide +5361 Cecropin P1 (Sus scrofa) SWLSKTAKKLENSAKKRISEGIAIAIQGGPR 1668.43895 MH2+ Inhouse_peptide NA peptide +8287 antioxidative peptide VLPVPQKKVLPVPQK 1669.046 NA ;SYN:15N-acetylglycine a-radical; 2-acetamidoacetate; 2-acetamidoacetic acid; Acetylglycine; N-acetylglycine sodium salt; acetamidoacetate; acetamidoacetic acid; aceturate; aceturic acid; acetylaminoacetate; acetylaminoacetic acid; acetylglycocoll; ethanoylaminoethanoate; ethanoylaminoethanoic acid; n-acetyl-glycine; n-acetylglycine; Ac GlyH2Blood; Urine Inhouse_peptide NA peptide +FL7AACGL0095 Cyanidin 3-O-[6-O-(malonyl)-beta-D-glucopyranoside]-7-O-[6-O-(trans-caffeyl)-beta-D-glucopyranoside]-3'-O-[6-O-(trans-4-O-(6-O-(trans-4-O-(beta-D-glucopyranosyl)-caffeyl)-beta-D-glucopyranosyl)-caffeyl)-beta-D-glucopyranoside] C75H81O43 1669.4151 - knapsack NA NA +6991 potential coeliac toxic peptide (extended motif) QQFLGQQQPFPPQQ 1669.803 antioxidative Inhouse_peptide NA peptide +6994 potential coeliac toxic peptide (extended motif) QPQPFPSQQPYLQL 1669.829 antioxidative Inhouse_peptide NA peptide +6997 potential coeliac toxic peptide (extended motif) QPFPSQQPYLQLQP 1669.829 antioxidative Inhouse_peptide NA peptide +3137 esculentin GIFSKLGRKKIKNLLISGLKNVGKEVGMDVV 1669.9785 MH2+ Inhouse_peptide NA peptide +7733 NA SENFTPWAYIILNGEAPIIREVHYSPRLG 1670.8499 MH2+ Inhouse_peptide NA peptide +3755 f(17-43) of bovine lactoferrin FKCRRWQWRMKKLGAPSITCVRRAFAL 1670.8812 MH2+ Inhouse_peptide NA peptide +8344 fragment 17-43 of bovine lactoferrin FKCRRWQWRMKKLGAPSITCVRRAFAL 1670.8812 MH2+ Inhouse_peptide NA peptide +8255 f(181-207) of bovine alpha s2-casein KTVYQHQKAMKPWIQPKTKVIPYVRYL 1671.4272 MH2+ Inhouse_peptide NA peptide +8273 Cr1 KTVYQHQKAMKPWIQPKTKVIPYVRYL 1671.4272 MH2+ Inhouse_peptide NA peptide +HMDB11853 Ganglioside GD2 (d18:1/18:1(11Z)) C79H137N3O34 1671.908325 NA HMDB2010 NA NA +3916 citropin 1,1 from Australian frog GLFDVIKKVASVIGGLG 1671.9758 neuropeptide Inhouse_peptide NA peptide +3924 aurein 2,1 GLLDIVKKVVGAFGSLG 1671.9758 neuropeptide Inhouse_peptide NA peptide +3926 aurein 2,2 GLFDIVKKVVGALGSLG 1671.9758 neuropeptide Inhouse_peptide NA peptide +3928 aurein 2,3, GLFDIVKKVVGAIGSLG 1671.9758 neuropeptide Inhouse_peptide NA peptide +4016 NA GLFDVIKKVASVIGGLG 1671.9758 antifungal Inhouse_peptide NA peptide +5456 aurein 2,1 GLLDIVKKVVGAFGSLG 1671.9758 ACE inhibitor Inhouse_peptide NA peptide +5458 aurein 2,2 GLFDIVKKVVGALGSLG 1671.9758 ACE inhibitor Inhouse_peptide NA peptide +5459 aurein 2,3 GLFDIVKKVVGAIGSLG 1671.9758 ACE inhibitor Inhouse_peptide NA peptide +3911 citropin 1,1 from Australian frog GLFDVIKKVASVIGGLG 1671.9759 neuropeptide Inhouse_peptide NA peptide +C04851 MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho- C86H143N7O21P2 1671.9812 NA KEGG NA NA +MetaCyc04443 N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl- D-alanyl-D-alanine-diphosphoundecaprenol [mur2Ac(oyl-L-Ala-γ-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;] C86H143N7O21P2 1671.981228 NA metacyc NA NA +HMDB04924 Ganglioside GD2 (d18:1/9Z-18:1) C78H136N4O34 1672.90356 http://www.hmdb.ca/metabolites/HMDB04924 HMDB NA NA +HMDB04924 Ganglioside GD2 (d18:1/9Z-18:1) C78H136N4O34 1672.90356 HMDB04924 PFEM_hmdb_metabocards_official NA NA +HMDB04924 Ganglioside GD2 (d18:1/9Z-18:1) C78H136N4O34 1672.903564 NA HMDB2010 NA NA +HMDB11841 Ganglioside GD2 (d18:0/18:1(11Z)) C79H139N3O34 1673.92395 NA HMDB2010 NA NA +HMDB11842 Ganglioside GD2 (d18:0/18:1(9Z)) C79H139N3O34 1673.92395 NA HMDB2010 NA NA +HMDB04926 Ganglioside GD2 (d18:1/18:0) C78H138N4O34 1674.919189 NA HMDB2010 NA NA +HMDB04926 Ganglioside GD2 (d18:1/18:0) C78H138N4O34 1674.91919 http://www.hmdb.ca/metabolites/HMDB04926 HMDB NA NA +HMDB04926 Ganglioside GD2 (d18:1/18:0) C78H138N4O34 1674.91919 HMDB04926 PFEM_hmdb_metabocards_official NA NA +MetaCyc04444 (N-acetylglucosaminyl)2-diphosphodolichol [chitobiosyldiphosphodolichol;N,N'-diacetylchitobiosyldiphosphodolichol;{N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;] C96H160N2O17P2 1675.119225 NA metacyc NA NA +HMDB12126 (N-Acetylglucosaminyl)2-diphosphodolichol C96H160N2O17P2 1675.119263 NA HMDB2010 NA NA +HMDB11840 Ganglioside GD2 (d18:0/18:0) C79H141N3O34 1675.939697 NA HMDB2010 NA NA +HMDB12067 Ganglioside GT3 (d18:1/12:0) C75H130N4O37 1678.841431 NA HMDB2010 NA NA +3115 adrenocorticotropin hormone fr,:1-14 SYSMEHFRWGKPVG 1679.7714 celiac toxic Inhouse_peptide NA peptide +7418 coeliac toxic peptide QLQPFPQPQLPYPQ 1679.849 antioxidative Inhouse_peptide NA peptide +HMDB12052 Ganglioside GT3 (d18:0/12:0) C75H132N4O37 1680.857056 NA HMDB2010 NA NA +7756 anticoagulant peptide from marine echiuroid worm GELTPESGPDLFVHFLDGNPSYSLYADAVPR 1681.2943 MH2+ Inhouse_peptide NA peptide +5393 rugosin B SLFSLIKAGAKFLGKNLLKQGAQYAACKVSKECG 1682.45045 MH2+ Inhouse_peptide NA peptide +5465 aurein 3,3,1 FDIVKKIAGHIVSSIG 1682.9559 ACE inhibitor Inhouse_peptide NA peptide +3930 aurein 2,4 GLFDIVKKVVGTIAGLG 1685.9908 neuropeptide Inhouse_peptide NA peptide +3934 aurein 2,6, GLFDIAKKVIGVIGSLG 1685.9919 neuropeptide Inhouse_peptide NA peptide +5472 aurein 2,6 GLFDIAKKVIGVIGSLG 1685.9919 ACE inhibitor Inhouse_peptide NA peptide +7723 NA NKLASVYALTPSLRVG 1687.9469 antioxidative Inhouse_peptide NA peptide +8206 Antioxidin-RL - peptide from frog skin (Odorrana livida) AMRLTYNRPCIYAT 1688.7993 NA ;SYN:(Dimethylamino)acetate; (Dimethylamino)acetic acid; 2-(Dimethylamino)acetate; 2-(Dimethylamino)acetic acid; Dimethylglycine; N,N-Dimethylaminoacetate; N,N-Dimethylaminoacetic acid; N,N-Dimethylglycine; N-Methylsarcosine N,N-dimethyl-GlycineH2Blood; Urine Inhouse_peptide NA peptide +3152 erythropoietin receptor agonist peptide EGCRRGWVGQCKAWFN 1689.8329 celiac toxic Inhouse_peptide NA peptide +2640 synthetic fr, of human beta-CN (39-52) ACE inhibitor KIYPSFQPQPLIYP 1689.896 NA Inhouse_peptide NA peptide +3323 NA ELYENKPRRPYIL 1689.9049 celiac toxic Inhouse_peptide NA peptide +2765 rabbit defensin NP-3A GICACRRRFCPNSERFSGYCRVNGARYVRCCSRR 1691.40185 MH2+ Inhouse_peptide NA peptide +3198 Corticostatin GICACRRRFCPNSERFSGYCRVNGARYVRCCSRR 1691.40185 MH2+ Inhouse_peptide NA peptide +5338 sapecin B LTCEIDRSLCLLHCRLKGYLRAYCSQQKVCRCVQ 1691.45595 MH2+ Inhouse_peptide NA peptide +7425 coeliac toxic peptide PQQPQQSFPQQPQR 1692.815 antioxidative Inhouse_peptide NA peptide +7416 coeliac toxic peptide QQFPQPQQPFPQQP 1693.802 antioxidative Inhouse_peptide NA peptide +7426 coeliac toxic peptide QQPFPQQPQQPFPQ 1693.802 antioxidative Inhouse_peptide NA peptide +7427 coeliac toxic peptide QQPFPQQPQQPFPQ 1693.802 antioxidative Inhouse_peptide NA peptide +2833 paradaxin from pacific sole Pardachirus pavoninus GFFALIPKIISSPLFKTLLSAVGSALSSSGEQE~ 1696.41945 MH2+ Inhouse_peptide NA peptide +3899 temporin L FVQWFSKFLGRILG 1696.9299 neuropeptide Inhouse_peptide NA peptide +7856 NA YGGFLRRQQFKVVT 1697.92 ACE inhibitor Inhouse_peptide NA peptide +C17409 Chinese gallotannin C76H52O46 1700.173 NA KEGG NA NA +3555 a-hemoglobin (33-46) FLGFPTTKTYFPHF 1701.8369 ACE inhibitor Inhouse_peptide NA peptide +HMDB04927 Ganglioside GD2 (d18:1/20:0) C80H142N4O34 1702.95056 http://www.hmdb.ca/metabolites/HMDB04927 HMDB NA NA +HMDB04927 Ganglioside GD2 (d18:1/20:0) C80H142N4O34 1702.95056 HMDB04927 PFEM_hmdb_metabocards_official NA NA +HMDB04927 Ganglioside GD2 (d18:1/20:0) C80H142N4O34 1702.950562 NA HMDB2010 NA NA +HMDB11843 Ganglioside GD2 (d18:0/20:0) C81H145N3O34 1703.970947 NA HMDB2010 NA NA +5319 aurein 2,5 GLFDIVKKVVGAFGSLG 1705.9598 binding Inhouse_peptide NA peptide +5471 aurein 2,5 GLFDIVKKVVGAFGSLG 1705.9598 ACE inhibitor Inhouse_peptide NA peptide +6998 potential coeliac toxic peptide (extended motif) QPFRPQQPYPQPQP 1706.834 antioxidative Inhouse_peptide NA peptide +6999 potential coeliac toxic peptide (extended motif) PFRPQQPYPQPQPQ 1706.834 antioxidative Inhouse_peptide NA peptide +HMDB12068 Ganglioside GT3 (d18:1/14:0) C77H134N4O37 1706.872681 NA HMDB2010 NA NA +HMDB12053 Ganglioside GT3 (d18:0/14:0) C77H136N4O37 1708.888306 NA HMDB2010 NA NA +C08034 Quinupristin-dalfopristin C53H67N9O10S 1711.803 NA KEGG NA NA +C08035 Transferred to D00855 C53H67N9O10S 1711.803 NA KEGG NA NA +C08036 Transferred to D00856 C53H67N9O10S 1711.803 NA KEGG NA NA +C08037 Benzalkonium chloride C9H13NR 1711.803 NA KEGG NA NA +C08038 Transferred to D00858 C9H13NR 1711.803 NA KEGG NA NA +3687 NA STRSESRHPFPWLL 1711.864 ACE inhibitor Inhouse_peptide NA peptide +7885 peptide from soybean b-conglycinin (Glycine max) LNSGDALRVPSGTTYY 1712.8218 antibacterial Inhouse_peptide NA peptide +3228 bovine lactoferrin fr,79-93 AGIYGTKESPQTHYY 1713.782 celiac toxic Inhouse_peptide NA peptide +MetaCyc04445 N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate- D-alanyl-D-alanine-diphosphoundecaprenol [] C87H143N7O23P2 1715.971057 NA metacyc NA NA +MetaCyc04446 N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptane- D-alanyl-D-alanine-diphosphoundecaprenol [lipid intermediate I;undecaprenyl-pyrophosphoryl-MurNAc-pentapeptide;] C87H143N7O23P2 1715.971057 NA metacyc NA NA +C05897 Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso- C87H143N7O23P2 1715.9711 NA KEGG NA NA +7786 peptide from bovine prion protein MVKSKIGSWILVLFVAMWSDVGLCKKRPKP 1716.43785 MH2+ Inhouse_peptide NA peptide +8092 peptide derived from bovine aS2-casein EEEKNRLTKKTKLT 1716.9549 ACE inhibitor Inhouse_peptide NA peptide +3610 NA LKKLKKLKKKLLKL 1721.256 ACE inhibitor Inhouse_peptide NA peptide +5495 histatin 2 RKFHEKHHSHREFPFYGDYGSNYLYDN 1721.27185 MH2+ Inhouse_peptide NA peptide +7419 coeliac toxic peptide PQQPFPQPQQPFRQ 1721.845 antioxidative Inhouse_peptide NA peptide +5502 Phormicin A ATCDLLSGTGINHSACAAHCLLRGNRGGYCNGKGVCVCRN 1722.8917 MH2+ Inhouse_peptide NA peptide +2832 paradaxin from pacific sole Pardachirus pavoninus GFFALIPKIISSPLFKTLLSAVGSALSSSGEQEG 1725.422 MH2+ Inhouse_peptide NA peptide +3185 dermaseptin, skin extract from frogs ALWKTMLKKLGTMALHAGKAALGAAADTISQGTQ 1726.4203 MH2+ Inhouse_peptide NA peptide +3809 NA LQSGDALRVPSGTTYY 1726.8369 ACE inhibitor Inhouse_peptide NA peptide +2764 rabbit NP-3B defensin GRCVCRKQLLCSYRERRIGDCKIRGVRFPFCCPR 1727.49645 MH2+ Inhouse_peptide NA peptide +8256 f(180-207) of bovine alpha s2-casein LKTVYQHQKAMKPWIQPKTKVIPYVRYL 1727.9692 MH2+ Inhouse_peptide NA peptide +8337 Cr3 LKTVYQHQKAMKPWIQPKTKVIPYVRYL 1727.9692 MH2+ Inhouse_peptide NA peptide +HMDB11854 Ganglioside GD2 (d18:1/22:1(13Z)) C83H145N3O34 1727.970947 NA HMDB2010 NA NA +7428 coeliac toxic peptide QQPFVQQQQPFVQQ 1728.84 antioxidative Inhouse_peptide NA peptide +3231 bombolitin V from venom of bumble bee (Megabombus INVLGILGLLGKALSHL~ 1729.0829 celiac toxic Inhouse_peptide NA peptide +FL7AAAGL0052 Pelargonidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-4-O-(6-O-trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)caffeyl)-D-glucopyranoside]]-5-O-[beta-D-glucopyranoside] C78H89O44 1729.4726 - knapsack NA NA +5418 murine lactoferrin LFM EKCLRWQNEMRKVGG 1729.8883 ACE inhibitor Inhouse_peptide NA peptide +5499 sapecin ATCDLLSGTGINHSACAAHCLLRGNRGGYCNGKAVCVCRN 1729.8998 MH2+ Inhouse_peptide NA peptide +HMDB11845 Ganglioside GD2 (d18:0/22:1(13Z)) C83H147N3O34 1729.986572 NA HMDB2010 NA NA +C10222 [Epicatechin-(4beta->8)]5-epicatechin C90H74O36 1730.396 NA KEGG NA NA +C17630 Cinnamtannin A4 C90H74O36 1730.396 NA KEGG NA NA +HMDB04928 Ganglioside GD2 (d18:1/22:0) C82H146N4O34 1730.98181 http://www.hmdb.ca/metabolites/HMDB04928 HMDB NA NA +HMDB04928 Ganglioside GD2 (d18:1/22:0) C82H146N4O34 1730.98181 HMDB04928 PFEM_hmdb_metabocards_official NA NA +HMDB04928 Ganglioside GD2 (d18:1/22:0) C82H146N4O34 1730.981812 NA HMDB2010 NA NA +7850 NA YGGFMTSEKSQTPLVTLFKNAIIKNAYKKGE 1731.3991 MH2+ Inhouse_peptide NA peptide +HMDB11844 Ganglioside GD2 (d18:0/22:0) C83H149N3O34 1732.002197 NA HMDB2010 NA NA +HMDB06650 Lacto-N-decaose C95H168N4O23 1733.20996 http://www.hmdb.ca/metabolites/HMDB06650 HMDB NA NA +HMDB06650 Lacto-N-decaose C95H168N4O23 1733.20996 HMDB06650 PFEM_hmdb_metabocards_official NA NA +HMDB06650 Lacto-N-decaose C95H168N4O23 1733.209961 NA HMDB2010 NA NA +2850 NA FGGFTGRIPKLWDNQ 1734.8678 antibacterial Inhouse_peptide NA peptide +HMDB12069 Ganglioside GT3 (d18:1/16:0) C79H138N4O37 1734.903931 NA HMDB2010 NA NA +C07970 Ivermectin C48H74O14 1735.0001 NA KEGG NA NA +5412 dermaseptin 2 ALWFTMLKKLGTMALHAGKAALGAAANTISQGTQ 1735.4153 MH2+ Inhouse_peptide NA peptide +HMDB12054 Ganglioside GT3 (d18:0/16:0) C79H140N4O37 1736.919678 NA HMDB2010 NA NA +7047 aurein 3,1 GLFDIVKKIAGHIAGSI 1737.9979 antioxidative Inhouse_peptide NA peptide +3549 NA SFLLRNPNDKYEPF 1738.8527 ACE inhibitor Inhouse_peptide NA peptide +2768 NA KNNQKSEPLIGRKKT 1739.9828 antibacterial Inhouse_peptide NA peptide +5483 beta-defensin 12 GPLSCGRNGGVCIPIRCPVPMRQIGTCFGRPVKCCRSW 1742.46215 MH2+ Inhouse_peptide NA peptide +HMDB11855 Ganglioside GD2 (d18:1/23:0) C84H149N3O34 1744.002197 NA HMDB2010 NA NA +3619 NA VRVPVPQLQPQNPSQQQPQEQVPLPQQQQF 1744.89295 MH2+ Inhouse_peptide NA peptide +7463 coeliac toxic peptide VRVPVPQLQPQNPSQQQPQEQVPLVQQQQF 1745.90095 MH2+ Inhouse_peptide NA peptide +HMDB11846 Ganglioside GD2 (d18:0/23:0) C84H151N3O34 1746.017944 NA HMDB2010 NA NA +5522 Protegrin 1 RGGRLCYCRRRFCVCVGR 1747.02 antioxidative Inhouse_peptide NA peptide +7429 coeliac toxic peptide QQPPFSQQQQPVLPQ 1748.866 antioxidative Inhouse_peptide NA peptide +3878 Cryptdin-1 LRDLVCYCRSRGCKGRERMNGTCRKGHLLYTLCCR 1750.4646 MH2+ Inhouse_peptide NA peptide +HMDB11792 Ganglioside GD1a (d18:1/12:0) C79H137N3O39 1751.882935 NA HMDB2010 NA NA +HMDB11822 Ganglioside GD1b (d18:1/12:0) C79H137N3O39 1751.882935 NA HMDB2010 NA NA +5385 esculentin-2A GILSLVKGVAKLAGKGLAKEGGKFGLELIACKIAKQC 1752.562 MH2+ Inhouse_peptide NA peptide +7431 coeliac toxic peptide QQPPFSEEEEPVLPQ 1752.802 antioxidative Inhouse_peptide NA peptide +7448 coeliac toxic peptide GSVQPQQQLPQFEIR 1753.894 antioxidative Inhouse_peptide NA peptide +HMDB11777 Ganglioside GD1a (d18:0/12:0) C79H139N3O39 1753.89856 NA HMDB2010 NA NA +HMDB11807 Ganglioside GD1b (d18:0/12:0) C79H139N3O39 1753.89856 NA HMDB2010 NA NA +5487 ceratotoxin D SIGTAVKKAVPIAKKVGKVAIPIAKAVLSVVGQLVG 1754.59545 MH2+ Inhouse_peptide NA peptide +3590 heparin-binding peptide FKCAAWQWAMKKLGA 1754.8594 ACE inhibitor Inhouse_peptide NA peptide +5386 esculentin-2B GIFSLVKGAAKLAGKGLAKEGGKFGLELIACKIAKQC 1755.53845 MH2+ Inhouse_peptide NA peptide +8232 Antioxidative peptide IAAEVYEHTEGSTTSY 1756.762 NA ;SYN:(2S,3R)-(-)-Threonine; (2S,3R)-2-Amino-3-hydroxybutyrate; (2S,3R)-2-Amino-3-hydroxybutyric acid; (R-(R*,S*))-2-Amino-3-hydroxybutanoate; (R-(R*,S*))-2-Amino-3-hydroxybutanoic acid; (S)-Threonine; 2-Amino-3-hydroxybutanoate; 2-Amino-3-hydroxybutanoic acid; 2-Amino-3-hydroxybutyrate; 2-Amino-3-hydroxybutyric acid; L-(-)-Threonine; L-2-Amino-3-hydroxybutyrate; L-2-Amino-3-hydroxybutyric acid; L-alpha-Amino-beta-hydroxybutyrate; L-alpha-Amino-beta-hydroxybutyric acid; Threonin; Threonine; [R-(R*,S*)]-2-Amino-3-hydroxybutanoate; [R-(R*,S*)]-2-Amino-3-hydroxybutanoic acid; [R-(R*,S*)]-2-amino-3-hydroxy-Butanoate; [R-(R*,S*)]-2-amino-3-hydroxy-Butanoic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +HMDB04929 Ganglioside GD2 (d18:1/24:1(15Z)) C84H148N4O34 1756.997559 NA HMDB2010 NA NA +HMDB04929 Ganglioside GD2 (d18:1/24:1(15Z)) C84H148N4O34 1756.99756 http://www.hmdb.ca/metabolites/HMDB04929 HMDB NA NA +HMDB04929 Ganglioside GD2 (d18:1/24:1(15Z)) C84H148N4O34 1756.99756 HMDB04929 PFEM_hmdb_metabocards_official NA NA +HMDB11848 Ganglioside GD2 (d18:0/24:1(15Z)) C85H151N3O34 1758.017944 NA HMDB2010 NA NA +HMDB04932 Ganglioside GD2 (d18:1/24:0) C84H150N4O34 1759.01318 http://www.hmdb.ca/metabolites/HMDB04932 BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD NA blood/plasma +HMDB04932 Ganglioside GD2 (d18:1/24:0) C84H150N4O34 1759.01318 http://www.hmdb.ca/metabolites/HMDB04932 HMDB NA NA +HMDB04932 Ganglioside GD2 (d18:1/24:0) C84H150N4O34 1759.01318 http://www.hmdb.ca/metabolites/HMDB04932 PFEM_hmdb_metabocards_blood NA blood +HMDB04932 Ganglioside GD2 (d18:1/24:0) C84H150N4O34 1759.01318 HMDB04932 PFEM_hmdb_metabocards_official NA NA +HMDB04932 Ganglioside GD2 (d18:1/24:0) C84H150N4O34 1759.013184 NA HMDB2010 NA NA +C08642 Heavenly blue anthocyanin C79H91O45 1759.4832 NA KEGG NA NA +FL7AADGL0001 Heavenly blue anthocyanin C79H91O45 1759.4832 79620-69-2 knapsack NA NA +HMDB11847 Ganglioside GD2 (d18:0/24:0) C85H153N3O34 1760.033569 NA HMDB2010 NA NA +6985 sapecin C ATCDLLSGIGVQHSACALHCVFRGNRGGYCTGKGICVCRN 1760.42735 MH2+ Inhouse_peptide NA peptide +HMDB12071 Ganglioside GT3 (d18:1/18:1(11Z)) C81H140N4O37 1760.919678 NA HMDB2010 NA NA +HMDB12072 Ganglioside GT3 (d18:1/18:1(9Z)) C81H140N4O37 1760.919678 NA HMDB2010 NA NA +HMDB12056 Ganglioside GT3 (d18:0/18:1(11Z)) C81H142N4O37 1762.935303 NA HMDB2010 NA NA +HMDB12057 Ganglioside GT3 (d18:0/18:1(9Z)) C81H142N4O37 1762.935303 NA HMDB2010 NA NA +HMDB12070 Ganglioside GT3 (d18:1/18:0) C81H142N4O37 1762.935303 NA HMDB2010 NA NA +8186 anticancer peptide AYRNRYRRQYRY 1763.8949 NA ;SYN:Monoiodotyrosine; 3-Iodo-L-tyrosine; MIT; 3-Monoiodo-L-tyrosine; 3-Iodotyrosine; 3-Iodo-4-hydroxyphenylalanine; IYR; 3-iodo-tyrosine; (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid; 4-Hydroxy-3-iodophenylalanine; L-Tyrosine-3-iodo; (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoateH2Blood Inhouse_peptide NA peptide +7430 coeliac toxic peptide QQPPFSQQQQLVLPQ 1764.898 antioxidative Inhouse_peptide NA peptide +HMDB12055 Ganglioside GT3 (d18:0/18:0) C81H144N4O37 1764.950928 NA HMDB2010 NA NA +7432 coeliac toxic peptide QQPPFSEQEQLVLPQ 1766.866 antioxidative Inhouse_peptide NA peptide +5463 aurein 3,2 GLFDIVKKIAGHIASSI 1768.0089 ACE inhibitor Inhouse_peptide NA peptide +5417 NA KWKLFKKIGAVLKVL 1770.147 ACE inhibitor Inhouse_peptide NA peptide +5376 gaegurin 4 GILDTLKQFAKGVGKDLVKGAAQGVLSTVSCKLAKTC 1770.5178 MH2+ Inhouse_peptide NA peptide +5482 beta-defensin 11 GPLSCRRNGGVCIPIRCPGPMRQIGTCFGRPVKCCRSW 1770.97865 MH2+ Inhouse_peptide NA peptide +5503 Phormicin B ATCDLLSGTGINHSACAAHCLLRGNRGGYCNRKGVCVCRN 1772.43175 MH2+ Inhouse_peptide NA peptide +HMDB04934 Ganglioside GD2 (d18:1/25:0) C85H152N4O34 1773.028809 NA HMDB2010 NA NA +HMDB04934 Ganglioside GD2 (d18:1/25:0) C85H152N4O34 1773.02881 http://www.hmdb.ca/metabolites/HMDB04934 HMDB NA NA +HMDB04934 Ganglioside GD2 (d18:1/25:0) C85H152N4O34 1773.02881 HMDB04934 PFEM_hmdb_metabocards_official NA NA +7457 coeliac toxic peptide WQQQPPFSQEQPQF 1773.793 antioxidative Inhouse_peptide NA peptide +HMDB11849 Ganglioside GD2 (d18:0/25:0) C86H155N3O34 1774.049194 NA HMDB2010 NA NA +5434 human lactoferricin (LFh 18-31) TKCFQWQRNMRKVR 1776.9523 ACE inhibitor Inhouse_peptide NA peptide +7439 coeliac toxic peptide QQPPFSQQQQQPLPQ 1777.856 antioxidative Inhouse_peptide NA peptide +7422 coeliac toxic peptide QYQPYPEQQQPFVQ 1778.808 antioxidative Inhouse_peptide NA peptide +7421 coeliac toxic peptide QYQPYPEQQEPFVQ 1779.792 antioxidative Inhouse_peptide NA peptide +HMDB11793 Ganglioside GD1a (d18:1/14:0) C81H141N3O39 1779.914185 NA HMDB2010 NA NA +HMDB11823 Ganglioside GD1b (d18:1/14:0) C81H141N3O39 1779.914185 NA HMDB2010 NA NA +3466 angiogenin fragment:108-122 ENGLPVHLDQSIFRR 1779.9229 ACE inhibitor Inhouse_peptide NA peptide +HMDB11778 Ganglioside GD1a (d18:0/14:0) C81H143N3O39 1781.929932 NA HMDB2010 NA NA +HMDB11808 Ganglioside GD1b (d18:0/14:0) C81H143N3O39 1781.929932 NA HMDB2010 NA NA +3764 heparin-binding peptide FACAAWQWRMKKLGA 1782.8664 ACE inhibitor Inhouse_peptide NA peptide +HMDB04930 Ganglioside GD2 (d18:1/26:1(15Z)) C86H152N4O34 1785.028809 NA HMDB2010 NA NA +HMDB04930 Ganglioside GD2 (d18:1/26:1(15Z)) C86H152N4O34 1785.02881 http://www.hmdb.ca/metabolites/HMDB04930 HMDB NA NA +HMDB04930 Ganglioside GD2 (d18:1/26:1(15Z)) C86H152N4O34 1785.02881 HMDB04930 PFEM_hmdb_metabocards_official NA NA +HMDB11851 Ganglioside GD2 (d18:0/26:1(17Z)) C87H155N3O34 1786.049194 NA HMDB2010 NA NA +2816 PEP inhibitor GVQVETISPGDGRTFPK 1786.9028 NA Inhouse_peptide NA peptide +HMDB04931 Ganglioside GD2 (d18:1/26:0) C86H154N4O34 1787.04443 http://www.hmdb.ca/metabolites/HMDB04931 HMDB NA NA +HMDB04931 Ganglioside GD2 (d18:1/26:0) C86H154N4O34 1787.04443 HMDB04931 PFEM_hmdb_metabocards_official NA NA +HMDB04931 Ganglioside GD2 (d18:1/26:0) C86H154N4O34 1787.044434 NA HMDB2010 NA NA +3230 bombolitin V from venom of bumble bee (Megabombus INVLGILGLLGKALSHLG 1787.0879 celiac toxic Inhouse_peptide NA peptide +HMDB11850 Ganglioside GD2 (d18:0/26:0) C87H157N3O34 1788.064819 NA HMDB2010 NA NA +3943 defensin from Mytilus edulis GFGCPNNYQCHRHCKSIPGRCGGYCGGWHRLRCTCYRGC 1790.38585 MH2+ Inhouse_peptide NA peptide +C12034 Chlorobiphenyl-chloroeremomycin C86H97Cl3N10O26 1790.5641 NA KEGG NA NA +HMDB12073 Ganglioside GT3 (d18:1/20:0) C83H146N4O37 1790.966553 NA HMDB2010 NA NA +5330 defensin from Mytilus edulis GFGCPNNYACHQHCKSIRGYCGGYCAGWFRLRCTCYRCG 1792.87245 MH2+ Inhouse_peptide NA peptide +5403 formaecin 1 GRPNPVNNKPTPHPRL 1792.9626 ACE inhibitor Inhouse_peptide NA peptide +HMDB12058 Ganglioside GT3 (d18:0/20:0) C83H148N4O37 1792.9823 NA HMDB2010 NA NA +3935 aurein 3,1 GLFDIVKKIAGHIAGGSI~ 1794.0349 neuropeptide Inhouse_peptide NA peptide +5473 aurein 3,1 GLFDIVKKIAGHIAGSIG 1795.0189 ACE inhibitor Inhouse_peptide NA peptide +3939 aurein 3,3 GLFDIVKKIAGHIVSSI~ 1795.0559 neuropeptide Inhouse_peptide NA peptide +5464 aurein 3,3 GLFDIVKKIAGHIVSSI 1796.0399 ACE inhibitor Inhouse_peptide NA peptide +C13908 Diphosphoryl hexaacyl lipid A C94H178N2O25P2 1797.2194 NA KEGG NA NA +7446 coeliac toxic peptide FPQTQQPQQLFPQSQ 1800.861 antioxidative Inhouse_peptide NA peptide +5444 tryptophan-modified murine lactoferricin (LFM W8) EKCLRWQWEMRKVGG 1801.9244 ACE inhibitor Inhouse_peptide NA peptide +5394 rugosin C GILDSFKQFAKGVGKDLIKGAAQGVLSTMSCKLAKTC 1803.4966 MH2+ Inhouse_peptide NA peptide +3237 bombolitin II from venom of bumble bee (Megabombus SKITDILAKLGKVLAHV~ 1804.1129 celiac toxic Inhouse_peptide NA peptide +2641 synthetic fr,of human beta-CN (38-52) ACE inhibitor DKIYPSFQPQPLIYP 1804.9229 NA Inhouse_peptide NA peptide +5530 GAFP DPTCSVLGDFKCNPGRCCSKINYCGACYQWRFGLTPAR 1805.41075 MH2+ Inhouse_peptide NA peptide +5421 formaecin 2 GRPNPVNTKPTPYPRL 1805.9718 ACE inhibitor Inhouse_peptide NA peptide +3208 cecropin B analog (CB-3) AIAVLGEAKALMGRNIRNGIVKAGPAIAVLGEAKALG 1806.04065 MH2+ Inhouse_peptide NA peptide +HMDB11794 Ganglioside GD1a (d18:1/16:0) C83H145N3O39 1807.945557 NA HMDB2010 NA NA +HMDB11824 Ganglioside GD1b (d18:1/16:0) C83H145N3O39 1807.945557 NA HMDB2010 NA NA +2889 NA FGGFTGARKSARKLANQ 1807.9639 antibacterial Inhouse_peptide NA peptide +7857 NA FGGFTGARKSARKLANQ 1807.9639 ACE inhibitor Inhouse_peptide NA peptide +C16044 Nociceptin C79H129N27O22 1807.9805 NA KEGG NA NA +C16045 RFamide-related peptide 2 C79H129N27O22 1807.9805 NA KEGG NA NA +C16046 Galanin-like peptide C79H129N27O22 1807.9805 NA KEGG NA NA +C16047 Motilin C79H129N27O22 1807.9805 NA KEGG NA NA +C16048 Glucagon-like peptide 1 C79H129N27O22 1807.9805 NA KEGG NA NA +C16049 Glucagon-like peptide 2 C79H129N27O22 1807.9805 NA KEGG NA NA +C16050 Glicentin C79H129N27O22 1807.9805 NA KEGG NA NA +C16051 Parathyroid hormone C79H129N27O22 1807.9805 NA KEGG NA NA +C16052 Parathyroid hormone-related peptide (1-36) C79H129N27O22 1807.9805 NA KEGG NA NA +C16053 Tuberoinfundibular peptide of 39 residues C79H129N27O22 1807.9805 NA KEGG NA NA +C16054 Defensin alpha-1 C79H129N27O22 1807.9805 NA KEGG NA NA +C16055 Defensin alpha-2 C79H129N27O22 1807.9805 NA KEGG NA NA +C16056 Defensin alpha-3 C79H129N27O22 1807.9805 NA KEGG NA NA +C16057 Defensin alpha-4 C79H129N27O22 1807.9805 NA KEGG NA NA +C16058 Defensin alpha-5 C79H129N27O22 1807.9805 NA KEGG NA NA +C16059 Defensin beta-1 C79H129N27O22 1807.9805 NA KEGG NA NA +C16060 Defensin beta-2 C79H129N27O22 1807.9805 NA KEGG NA NA +C16061 Defensin beta-3 C79H129N27O22 1807.9805 NA KEGG NA NA +C16062 Defensin beta-4 C79H129N27O22 1807.9805 NA KEGG NA NA +C16063 Liver-expressed antimicrobial peptide 1 C79H129N27O22 1807.9805 NA KEGG NA NA +C16064 Liver-expressed antimicrobial peptide 2 C79H129N27O22 1807.9805 NA KEGG NA NA +C16065 Thymosin alpha-1 C79H129N27O22 1807.9805 NA KEGG NA NA +C16066 Thymosin beta-4 C79H129N27O22 1807.9805 NA KEGG NA NA +C16067 Thymosin beta-10 C79H129N27O22 1807.9805 NA KEGG NA NA +C16068 Humanin C79H129N27O22 1807.9805 NA KEGG NA NA +3950 myticin A from Mytilin edulis HSHACTSYWCGKFCGTASCTHYLCRVLHPGKMCACVHCSR 1809.39625 MH2+ Inhouse_peptide NA peptide +2842 orphanin FQ/nociceptin peptide (FQ/N) FGGFTGARKSARKLADE 1809.9319 antibacterial Inhouse_peptide NA peptide +HMDB11779 Ganglioside GD1a (d18:0/16:0) C83H147N3O39 1809.961182 NA HMDB2010 NA NA +HMDB11809 Ganglioside GD1b (d18:0/16:0) C83H147N3O39 1809.961182 NA HMDB2010 NA NA +8109 peptide derived from hoki frame protein (Johnius belengerii) ESTVPERTHPACPDFN 1815.7678 ACE inhibitor Inhouse_peptide NA peptide +2676 NA GGVYACRMGPITWVCSPLGG 1816.9124 antibacterial Inhouse_peptide NA peptide +HMDB12075 Ganglioside GT3 (d18:1/22:1(13Z)) C85H148N4O37 1816.9823 NA HMDB2010 NA NA +HMDB12060 Ganglioside GT3 (d18:0/22:1(13Z)) C85H150N4O37 1818.997925 NA HMDB2010 NA NA +HMDB12074 Ganglioside GT3 (d18:1/22:0) C85H150N4O37 1818.997925 NA HMDB2010 NA NA +3820 smooth muscles contracting peptide WWGKKYRASKLGLAR 1819.021 ACE inhibitor Inhouse_peptide NA peptide +3683 NA KFIVTLRVIKAGPHSPTAQIIVELKNGRKLSLD 1820.56385 MH2+ Inhouse_peptide NA peptide +HMDB12059 Ganglioside GT3 (d18:0/22:0) C85H152N4O37 1821.01355 NA HMDB2010 NA NA +2852 NA YGGFTGARKSARKLANQ 1823.9589 antibacterial Inhouse_peptide NA peptide +2942 NA YGGFTGARKSARKLANQ 1823.9589 celiac toxic Inhouse_peptide NA peptide +3819 NA SQQQQPPFSQQQQPPFSQQQQPPFSQQQPPF 1825.843 MH2+ Inhouse_peptide NA peptide +7776 Streptococcus mutans inhibitor QGRVEVLYRGSWGTVC 1825.874 antioxidative Inhouse_peptide NA peptide +3912 uperin 3,6 GVIDAAKKVVNVLKNLF~ 1826.0977 neuropeptide Inhouse_peptide NA peptide +3917 uperin 3,6 GVIDAAKKVVNVLKNLF~ 1826.0977 neuropeptide Inhouse_peptide NA peptide +3107 adrenocorticotropin hormone fr, 7-38 FRWGKPVGKKRRPVKVYPNGAEDESAEAFPLE 1828.44835 MH2+ Inhouse_peptide NA peptide +5478 Beta-defensin 1 DFASCHTNGGICLPNRCPGHMIQIGICFRPRVKCCRSW 1828.458 MH2+ Inhouse_peptide NA peptide +7462 coeliac toxic peptide VQQQQFPGQQQPFPPQQPYPQPQPFPSQQPY 1831.8625 MH2+ Inhouse_peptide NA peptide +3673 NA RHITSLEVIKAGPHSPTAQLITATLKNGRKISLD 1832.5254 MH2+ Inhouse_peptide NA peptide +HMDB12076 Ganglioside GT3 (d18:1/23:0) C86H152N4O37 1833.01355 NA HMDB2010 NA NA +8170 peptide derived from bovine aS2-casein (1-32) KNTMEHVSSSEESIISQETYKQEKNMAINPSK 1833.36375 MH2+ Inhouse_peptide NA peptide +HMDB11796 Ganglioside GD1a (d18:1/18:1(11Z)) C85H147N3O39 1833.961182 NA HMDB2010 NA NA +HMDB11797 Ganglioside GD1a (d18:1/18:1(9Z)) C85H147N3O39 1833.961182 NA HMDB2010 NA NA +HMDB11826 Ganglioside GD1b (d18:1/18:1(11Z)) C85H147N3O39 1833.961182 NA HMDB2010 NA NA +HMDB11827 Ganglioside GD1b (d18:1/18:1(9Z)) C85H147N3O39 1833.961182 NA HMDB2010 NA NA +3239 bombolitin I from venom of bumble bee (Megabombus IKITTMLAKLGKVLAHV~ 1834.1414 celiac toxic Inhouse_peptide NA peptide +HMDB12061 Ganglioside GT3 (d18:0/23:0) C86H154N4O37 1835.029175 NA HMDB2010 NA NA +HMDB11781 Ganglioside GD1a (d18:0/18:1(11Z)) C85H149N3O39 1835.976807 NA HMDB2010 NA NA +HMDB11782 Ganglioside GD1a (d18:0/18:1(9Z)) C85H149N3O39 1835.976807 NA HMDB2010 NA NA +HMDB11795 Ganglioside GD1a (d18:1/18:0) C85H149N3O39 1835.976807 NA HMDB2010 NA NA +HMDB11811 Ganglioside GD1b (d18:0/18:1(11Z)) C85H149N3O39 1835.976807 NA HMDB2010 NA NA +HMDB11812 Ganglioside GD1b (d18:0/18:1(9Z)) C85H149N3O39 1835.976807 NA HMDB2010 NA NA +HMDB11825 Ganglioside GD1b (d18:1/18:0) C85H149N3O39 1835.976807 NA HMDB2010 NA NA +2853 NA YGGFLGARKSARKLANQ 1835.9958 antibacterial Inhouse_peptide NA peptide +2930 NA YGGFLGARKSARKLANQ 1835.9958 celiac toxic Inhouse_peptide NA peptide +5443 tryptophan-modified caprine lactoferricin (LFC W8) SKCYQWQWRMRKLGA 1836.9414 ACE inhibitor Inhouse_peptide NA peptide +HMDB12255 Mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol C102H170N2O22P2 1837.171997 NA HMDB2010 NA NA +MetaCyc04447 mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol [α-D-mannosylchitobiosyldiphosphodolichol;{β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;β-1,4-D-mannosylchitobiosyldiphosphodolichol;] C102H170N2O22P2 1837.172048 NA metacyc NA NA +HMDB11780 Ganglioside GD1a (d18:0/18:0) C85H151N3O39 1837.992432 NA HMDB2010 NA NA +HMDB11810 Ganglioside GD1b (d18:0/18:0) C85H151N3O39 1837.992432 NA HMDB2010 NA NA +3589 heparin-binding peptide FACRRWQWRMAALGA 1838.8804 ACE inhibitor Inhouse_peptide NA peptide +7424 coeliac toxic peptide PQQPQQSFPQQQRPF 1839.883 antioxidative Inhouse_peptide NA peptide +MetaCyc04448 KDO2-lipid IVA [] C84H154N2O37P2 1844.970567 NA metacyc NA NA +C06025 Di[3-deoxy-D-manno-octulosonyl]-lipid IV(A) C84H154N2O37P2 1844.9706 NA KEGG NA NA +HMDB12078 Ganglioside GT3 (d18:1/24:1(15Z)) C87H152N4O37 1845.01355 NA HMDB2010 NA NA +2683 NA GGTYSCHFGPATWVCKPQGG 1845.86 antibacterial Inhouse_peptide NA peptide +3151 erythropoietin receptor agonist peptide REGCRRGWVGQCKAWFN 1845.9338 celiac toxic Inhouse_peptide NA peptide +8295 Fatty acid synthase inhibitor RKQEEDEDEEQQRE 1846.7758 NA ;SYN:4,4'-Dithiobis; DL-Homocystine; HomocystineH2Blood; Urine Inhouse_peptide NA peptide +HMDB12063 Ganglioside GT3 (d18:0/24:1(15Z)) C87H154N4O37 1847.029175 NA HMDB2010 NA NA +HMDB12077 Ganglioside GT3 (d18:1/24:0) C87H154N4O37 1847.029175 NA HMDB2010 NA NA +5427 Viscotoxin 1-PS KSCCPBTTGRBIYBTCRFGGGSRZVCARISGCKIISASTCPSYPBK 1847.9995 MH2+ Inhouse_peptide NA peptide +3050 kinases inhibitor YCQRTLREIQILLRF 1848.059 celiac toxic Inhouse_peptide NA peptide +2685 NA GGTYSCHFGPLTFVCKPQGG 1848.896 antibacterial Inhouse_peptide NA peptide +2945 NA FGGFTGARRPKLWDNQ 1848.9218 celiac toxic Inhouse_peptide NA peptide +HMDB12062 Ganglioside GT3 (d18:0/24:0) C87H156N4O37 1849.0448 NA HMDB2010 NA NA +2943 NA FGGFTGARKSARKLDNQ 1851.9537 celiac toxic Inhouse_peptide NA peptide +3936 aurein 3,1 GLFDIVKKIAGHIAGGSIG 1852.0399 neuropeptide Inhouse_peptide NA peptide +3940 aurein 3,3 GLFDIVKKIAGHIVSSIG 1853.0609 neuropeptide Inhouse_peptide NA peptide +8231 Antioxidative peptide PIAAEVYEHTEGSTTSY 1853.814 NA ;SYN:(-)-(S)-Proline; (-)-2-Pyrrolidinecarboxylate; (-)-2-Pyrrolidinecarboxylic acid; (-)-Proline; (S)-(-)-Proline; (S)-(-)-Pyrrolidine-2-carboxylate; (S)-(-)-Pyrrolidine-2-carboxylic acid; (S)-2-Carboxypyrrolidine; (S)-2-Pyrralidinecarboxylate; (S)-2-Pyrralidinecarboxylic acid; (S)-2-Pyrrolidinecarboxylate; (S)-2-Pyrrolidinecarboxylic acid; (S)-Proline; 2-Pyrrolidinecarboxylate; 2-Pyrrolidinecarboxylic acid; ProlineH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +3690 NA VRQWNLTEFVLDTHP 1853.9258 ACE inhibitor Inhouse_peptide NA peptide +2595 tachylepsin III from homocytes of horse shoe crab KWCFRVCYRGICYRRCR~ 1854.061 NA Inhouse_peptide NA peptide +2888 NA AEPGADDAEEVEQKQLQ 1855.8258 antibacterial Inhouse_peptide NA peptide +5346 Abaecin VPLPNVPQPGRRPFPTFPGQGPFNPKIKWPQGY 1856.47535 MH2+ Inhouse_peptide NA peptide +5404 Antimicrobial peptide MBP-1 RSGRGECRRQCLRRHEGQPWETQECMRRCRRRG 1857.9647 MH2+ Inhouse_peptide NA peptide +3868 vespa-like peptide from R, Erythraea FLPLLFGALSAILPKIF~ 1858.1329 neuropeptide Inhouse_peptide NA peptide +3234 bombolitin III from venom of bumble bee (Megabombu IKIMDILAKLGKVLAHV~ 1860.1583 celiac toxic Inhouse_peptide NA peptide +3074 human amylin LCNTNTCATQRLANFLVHSSNNFGAILSSTNVGSNTTG 1860.4126 MH2+ Inhouse_peptide NA peptide +HMDB12079 Ganglioside GT3 (d18:1/25:0) C88H156N4O37 1861.0448 NA HMDB2010 NA NA +2684 NA GGTYSCHFGALTWVCKPQGG 1861.892 antibacterial Inhouse_peptide NA peptide +3236 bombolitin II from venom of bumble bee (Megabombus SKITDILAKLGKVLAHVG 1862.1179 celiac toxic Inhouse_peptide NA peptide +HMDB12064 Ganglioside GT3 (d18:0/25:0) C88H158N4O37 1863.060547 NA HMDB2010 NA NA +5420 tryptophan-modified human lactoferricin (LFH W8) TKCFQWQWNMRKVRG 1863.9513 ACE inhibitor Inhouse_peptide NA peptide +HMDB11798 Ganglioside GD1a (d18:1/20:0) C87H153N3O39 1864.008179 NA HMDB2010 NA NA +HMDB11828 Ganglioside GD1b (d18:1/20:0) C87H153N3O39 1864.008179 NA HMDB2010 NA NA +2807 PEP inhibitor MPPPLPARVDFSLAGALN 1864.9712 NA Inhouse_peptide NA peptide +HMDB11783 Ganglioside GD1a (d18:0/20:0) C87H155N3O39 1866.023804 NA HMDB2010 NA NA +HMDB11813 Ganglioside GD1b (d18:0/20:0) C87H155N3O39 1866.023804 NA HMDB2010 NA NA +7460 coeliac toxic peptide LQQPQQPQFQPQQQF 1868.898 antioxidative Inhouse_peptide NA peptide +5480 beta-defensin 8 VRNFVTCRINRGFCVPIRCPGHRRQIGTCLGPQIKCCR 1869.0774 MH2+ Inhouse_peptide NA peptide +C10210 Agrimoniin C82H54O52 1870.1581 NA KEGG NA NA +3475 alpha amylase ligand from Hordeum vulgare TRWLVYFSRPYLVAT 1870.994 ACE inhibitor Inhouse_peptide NA peptide +3232 bombolitin IV from venom of bumble bee (Megabombus INIKDILAKLVKVLGHV~ 1871.1918 celiac toxic Inhouse_peptide NA peptide +5337 myticin B from Mytilum edulis HPHVCTSYYCSKFCGTAGCTRYGCRNLHRGKLCFCLHCSR 1871.46095 MH2+ Inhouse_peptide NA peptide +C10229 Gemin A C82H56O52 1872.1738 NA KEGG NA NA +HMDB12081 Ganglioside GT3 (d18:1/26:1(17Z)) C89H156N4O37 1873.0448 NA HMDB2010 NA NA +3467 andropin from Drosphila melanogaster VFIDILDKVENAIHNAAQVGIGFAKPFEKLINPK 1874.0243 MH2+ Inhouse_peptide NA peptide +C05894 Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- C94H157N9O25P2 1874.0766 NA KEGG NA NA +C10218 Coriariin A C82H58O52 1874.1894 NA KEGG NA NA +C10240 Rugosin D C82H58O52 1874.1894 NA KEGG NA NA +HMDB12066 Ganglioside GT3 (d18:0/26:1(17Z)) C89H158N4O37 1875.060547 NA HMDB2010 NA NA +HMDB12080 Ganglioside GT3 (d18:1/26:0) C89H158N4O37 1875.060547 NA HMDB2010 NA NA +C05893 Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- C94H156N8O26P2 1875.0606 NA KEGG NA NA +MetaCyc04449 N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine-diphosphoundecaprenyl-N-acetylglucosamine [N-acetyl-muramoyl-(pentapeptide)-N-acetylglucosamine-diphosphoundecaprenol;lipid intermediate II;undecaprenyl-pyrophosphoryl-MurNAc-(pentapeptide)-N-acetylglucosamine;GlcNAc-(1->4)-MurNAc(oyl-L-Ala-γ-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;] C94H156N8O26P2 1875.0606 NA metacyc NA NA +C13587 Teicoplanin A2-1 C88H95Cl2N9O33 1875.5409 NA KEGG NA NA +3465 angiogenin fragment:108-123 ENGLPVHLDQSIFRRP 1876.9749 ACE inhibitor Inhouse_peptide NA peptide +2965 maculatin 2,1, from Litoria genimaculata GFVDFLKKVAGTIANVVT~ 1877.0598 celiac toxic Inhouse_peptide NA peptide +HMDB12065 Ganglioside GT3 (d18:0/26:0) C89H160N4O37 1877.076172 NA HMDB2010 NA NA +C12046 Teicoplanin A2-2 C88H97Cl2N9O33 1877.5566 NA KEGG NA NA +C13588 Teicoplanin A2-3 C88H97Cl2N9O33 1877.5566 NA KEGG NA NA +C13589 Transferred to D02079 C88H97Cl2N9O33 1877.5566 NA KEGG NA NA +C13590 Transferred to D02080 C88H97Cl2N9O33 1877.5566 NA KEGG NA NA +3059 Immunostimulating peptide YQQPVLGPVRGPFPIIV 1879.054 celiac toxic Inhouse_peptide NA peptide +HMDB12037 Ganglioside GT2 (d18:1/12:0) C84H144N4O42 1880.925537 NA HMDB2010 NA NA +8312 Anticancer peptide ENLLRFFVAPFPEVFG 1880.9659 NA ;SYN:Homo-L-citrulline; Homocitrulline; L-Homocitrulline; N-e-Carbamyl-L-lysine; N6-carbamoyl-L-Lysine; N6-carbamoyl-Lysine; N-epsilon-Carbamyl-L-lysineH2Blood Inhouse_peptide NA peptide +2944 NA FGGFTGARKSALKWDNQ 1881.9318 celiac toxic Inhouse_peptide NA peptide +2598 tachylepsin II from homocytes of horse shoe crab RWCFRVCYRGICYRRCR~ 1882.068 NA Inhouse_peptide NA peptide +HMDB12022 Ganglioside GT2 (d18:0/12:0) C84H146N4O42 1882.941162 NA HMDB2010 NA NA +5445 tryptophan-modified porcine lactoferricin (LFP W8) SKCRQWQWKIRRTNP 1883.0228 ACE inhibitor Inhouse_peptide NA peptide +3913 uperin 3,6 GVIDAAKKVVNVLKNLFG 1884.1027 neuropeptide Inhouse_peptide NA peptide +3918 uperin 3,6 GVIDAAKKVVNVLKNLFG 1884.1027 neuropeptide Inhouse_peptide NA peptide +3685 NA ANIKISGKWKAQKRFLKMSGNFDLSIEGMSISAD 1884.97215 MH2+ Inhouse_peptide NA peptide +5423 lebocin 1/2 DLRFLYPRGKLPVPTPPPFNPKPIYIDMGNRY 1885.4945 MH2+ Inhouse_peptide NA peptide +2678 NA GGTYSCHFGPLTWVCKPQGG 1887.907 antibacterial Inhouse_peptide NA peptide +7450 coeliac toxic peptide QQPIQPQQFPQQQFF 1887.908 antioxidative Inhouse_peptide NA peptide +HMDB11800 Ganglioside GD1a (d18:1/22:1(13Z)) C89H155N3O39 1890.023804 NA HMDB2010 NA NA +HMDB11830 Ganglioside GD1b (d18:1/22:1(13Z)) C89H155N3O39 1890.023804 NA HMDB2010 NA NA +C13610 Teicoplanin A2-4 C89H99Cl2N9O33 1891.5722 NA KEGG NA NA +C13611 Transferred to D02100 C89H99Cl2N9O33 1891.5722 NA KEGG NA NA +C13612 Teicoplanin A2-5 C89H99Cl2N9O33 1891.5722 NA KEGG NA NA +HMDB11785 Ganglioside GD1a (d18:0/22:1(13Z)) C89H157N3O39 1892.039429 NA HMDB2010 NA NA +HMDB11799 Ganglioside GD1a (d18:1/22:0) C89H157N3O39 1892.039429 NA HMDB2010 NA NA +HMDB11815 Ganglioside GD1b (d18:0/22:1(13Z)) C89H157N3O39 1892.039429 NA HMDB2010 NA NA +HMDB11829 Ganglioside GD1b (d18:1/22:0) C89H157N3O39 1892.039429 NA HMDB2010 NA NA +3476 alpha amylase ligand from Hordeum vulgare IVRHLFLHVYPRVLM 1892.0814 ACE inhibitor Inhouse_peptide NA peptide +3238 bombolitin I from venom of bumble bee (Megabombus IKITTMLAKLGKVLAHVG 1892.1464 celiac toxic Inhouse_peptide NA peptide +5424 lebocin 3 DLRFLYPRGKLPVPTLPPFNPKPIYIDMGNRY 1893.5105 MH2+ Inhouse_peptide NA peptide +HMDB11784 Ganglioside GD1a (d18:0/22:0) C89H159N3O39 1894.055054 NA HMDB2010 NA NA +HMDB11814 Ganglioside GD1b (d18:0/22:0) C89H159N3O39 1894.055054 NA HMDB2010 NA NA +2824 PEP inhibitor MPPPLPTRVDFSLAGALN 1894.9812 NA Inhouse_peptide NA peptide +3205 cecropin D from Cecropia (moth) WNPFKELEKVGQRVRDAVISAGPAVATVAQATALAK~ 1895.03845 MH2+ Inhouse_peptide NA peptide +5391 ranalexin FLGGLIKIVPAMICAVTKKC 1898.1614 ACE inhibitor Inhouse_peptide NA peptide +3680 NA ANIKLSVKWKAQKRFLKMSINVDLSDGRELSLD 1901.0364 MH2+ Inhouse_peptide NA peptide +3904 Dm-AMP2 EVCEKASKTWSGNCGNTTGHC 1901.8678 neuropeptide Inhouse_peptide NA peptide +3053 indolicidin from bovine granulocytes ILPWKWPWWPWRR~ 1905.031 celiac toxic Inhouse_peptide NA peptide +5345 Indolicidin ILPWKWPWWPWRR 1906.015 antibacterial Inhouse_peptide NA peptide +HMDB11801 Ganglioside GD1a (d18:1/23:0) C90H159N3O39 1906.055054 NA HMDB2010 NA NA +HMDB11831 Ganglioside GD1b (d18:1/23:0) C90H159N3O39 1906.055054 NA HMDB2010 NA NA +3688 NA VRRQIVEYKHRLTLP 1907.105 ACE inhibitor Inhouse_peptide NA peptide +HMDB11786 Ganglioside GD1a (d18:0/23:0) C90H161N3O39 1908.070679 NA HMDB2010 NA NA +HMDB11816 Ganglioside GD1b (d18:0/23:0) C90H161N3O39 1908.070679 NA HMDB2010 NA NA +5363 Antibacterial peptide CM-IV RWKIFKKIEKVGQNIRDGIVKAGPAVAVVGQAATIG 1908.5979 MH2+ Inhouse_peptide NA peptide +HMDB12038 Ganglioside GT2 (d18:1/14:0) C86H148N4O42 1908.956787 NA HMDB2010 NA NA +3187 cystatin S (94-109) KKQLCSFEIYEVPWED 1909.929 celiac toxic Inhouse_peptide NA peptide +HMDB12023 Ganglioside GT2 (d18:0/14:0) C86H150N4O42 1910.972412 NA HMDB2010 NA NA +2596 tachylepsin III from homocytes of horse shoe crab KWCFRVCYRGICYRRCRG 1912.0659 NA Inhouse_peptide NA peptide +3096 fragment of laminin A chain:2091-2108 CSRARKQAASIKVAVSADR 1913.0769 celiac toxic Inhouse_peptide NA peptide +5484 beta-defensin 13 SGISGPLSCGRNGGVCIPIRCPVPMRQIGTCFGRPVKCCRSW 1914.54665 MH2+ Inhouse_peptide NA peptide +3207 cecropin B from Cecropia (moth) KWKVFKKIEKMGRNIRNGIVKAGPAIAVLGEAKAL~ 1916.1311 MH2+ Inhouse_peptide NA peptide +3869 vespa-like peptide from R, Erythraea FLPLLFGALSAILPKIFG 1916.1379 neuropeptide Inhouse_peptide NA peptide +HMDB11803 Ganglioside GD1a (d18:1/24:1(15Z)) C91H159N3O39 1918.055054 NA HMDB2010 NA NA +HMDB11833 Ganglioside GD1b (d18:1/24:1(15Z)) C91H159N3O39 1918.055054 NA HMDB2010 NA NA +3235 bombolitin III from venom of bumble bee (Megabombu IKIMDILAKLGKVLAHVG 1918.1633 celiac toxic Inhouse_peptide NA peptide +C05898 Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- C95H156N8O28P2 1919.0504 NA KEGG NA NA +MetaCyc04450 N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptane-D-alanyl-D-alanine-diphosphoundecaprenyl-N-acetylglucosamine [GlcNAc-(1->4)-MurNAc-pentapeptide-diphosphoundecaprenol;N-acetyl-muramoyl-(pentapeptide)-N-acetylglucosamine-diphosphoundecaprenol;lipid intermediate II;undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-ala-D-glu-meso-2,6-diaminopimeloyl-D-ala-D-ala;undecaprenyl-pyrophosphoryl-MurNAc-(pentapeptide)-N-acetylglucosamine;] C95H156N8O28P2 1919.050429 NA metacyc NA NA +HMDB11788 Ganglioside GD1a (d18:0/24:1(15Z)) C91H161N3O39 1920.070679 NA HMDB2010 NA NA +HMDB11802 Ganglioside GD1a (d18:1/24:0) C91H161N3O39 1920.070679 NA HMDB2010 NA NA +HMDB11818 Ganglioside GD1b (d18:0/24:1(15Z)) C91H161N3O39 1920.070679 NA HMDB2010 NA NA +HMDB11832 Ganglioside GD1b (d18:1/24:0) C91H161N3O39 1920.070679 NA HMDB2010 NA NA +3638 NA QQQQPSSQVSFQQPLQQYPLGQGSFRPSQQNPQA 1920.4159 MH2+ Inhouse_peptide NA peptide +3679 NA ANIKLSVKWKAQKRFLKMSIIVKLNDGRELSLD 1920.59595 MH2+ Inhouse_peptide NA peptide +HMDB11787 Ganglioside GD1a (d18:0/24:0) C91H163N3O39 1922.086426 NA HMDB2010 NA NA +HMDB11817 Ganglioside GD1b (d18:0/24:0) C91H163N3O39 1922.086426 NA HMDB2010 NA NA +5362 Cecropin-like peptide B-2 WNPFKELERAGQRVRDAVISAAPAVATVGQAAAIARG 1923.02745 MH2+ Inhouse_peptide NA peptide +5515 styelin A GXFGKAFXSVSNFAKKHKTA 1924.0128 antioxidative Inhouse_peptide NA peptide +3204 cecropin D from Cecropia (moth) WNPFKELEKVGQRVRDAVISAGPAVATVAQATALAKG 1924.0409 MH2+ Inhouse_peptide NA peptide +2947 NA FGGFTGARKSARKWDNQ 1924.9487 celiac toxic Inhouse_peptide NA peptide +2931 NA TEPGLEEVGEIEQKQLQ 1925.939 celiac toxic Inhouse_peptide NA peptide +7858 NA TEPGLEEVGEIEQKQLQ 1925.939 ACE inhibitor Inhouse_peptide NA peptide +3675 NA SIQDLNVSMKLFRKQAKWKIIAKLNDGRELSLD 1928.55735 MH2+ Inhouse_peptide NA peptide +3233 bombolitin IV from venom of bumble bee (Megabombus INIKDILAKLVKVLGHVG 1929.1968 celiac toxic Inhouse_peptide NA peptide +5354 Antimicrobial peptide CHP1 GRKSDCFRKSGFCAFLKCPSLTLISGKCSRFYLCCKRIR 1929.59985 MH2+ Inhouse_peptide NA peptide +3993 f(17-47) of bovine lactoferrin FKCRRWQWRMKKLGAPSITCVRRAFALECIR 1929.9947 MH2+ Inhouse_peptide NA peptide +C17541 Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- C96H160N10O26P2 1931.098 NA KEGG NA NA +7423 coeliac toxic peptide PQPFRPQQPYPQPQPQ 1931.944 antioxidative Inhouse_peptide NA peptide +3728 NA SIQDLNVSLKLFRKQAKWKIIVKLNDGRELSLD 1933.59475 MH2+ Inhouse_peptide NA peptide +3800 NA SIQFLKVSLNLDRKQAKWKIIVKLNDGRELSLD 1933.59475 MH2+ Inhouse_peptide NA peptide +3801 NA SIQDLKVSLNLFRKQAKWKIIVKLNDGRELSLD 1933.59475 MH2+ Inhouse_peptide NA peptide +HMDB11804 Ganglioside GD1a (d18:1/25:0) C92H163N3O39 1934.086426 NA HMDB2010 NA NA +HMDB11834 Ganglioside GD1b (d18:1/25:0) C92H163N3O39 1934.086426 NA HMDB2010 NA NA +2966 maculatin 2,1, from Litoria genimaculata GFVDFLKKVAGTIANVVTG 1935.0648 celiac toxic Inhouse_peptide NA peptide +2848 NA YGGFLRARKSARKLANQ 1935.0759 antibacterial Inhouse_peptide NA peptide +3114 adrenocorticotropin hormone fr,: 1-16 SYSMEHFRWGKPVGKK 1935.9594 celiac toxic Inhouse_peptide NA peptide +HMDB11789 Ganglioside GD1a (d18:0/25:0) C92H165N3O39 1936.102051 NA HMDB2010 NA NA +HMDB11819 Ganglioside GD1b (d18:0/25:0) C92H165N3O39 1936.102051 NA HMDB2010 NA NA +5366 cecropin B KWKIFKKIEKVGRNIRNGIIKAGPAVAVLGEAKALG 1936.1554 MH2+ Inhouse_peptide NA peptide +HMDB12039 Ganglioside GT2 (d18:1/16:0) C88H152N4O42 1936.988159 NA HMDB2010 NA NA +5432 So-D7 (defensin) GIFFSRKCKTPSKTFKGYCTRDSNCDTSCRYEGYPAGD 1937.93125 MH2+ Inhouse_peptide NA peptide +5512 Cathelin-related antimicrobial peptide(CRAMP) GLLRKGGEKIGEKLKKIGQKIKNFFQKLVPQPEQ 1938.12745 MH2+ Inhouse_peptide NA peptide +2941 NA FGGFTGARKSKLKWDNQ 1938.9888 celiac toxic Inhouse_peptide NA peptide +HMDB12024 Ganglioside GT2 (d18:0/16:0) C88H154N4O42 1939.003784 NA HMDB2010 NA NA +5436 bovine lactoferrin (LFb 17-30) FKCRRWQWRMKKLG 1939.0144 ACE inhibitor Inhouse_peptide NA peptide +2679 NA GGDYHCRMGPLTWVCKPLGG 1939.9543 antibacterial Inhouse_peptide NA peptide +2597 tachylepsin II from homocytes of horse shoe crab RWCFRVCYRGICYRRCRG 1940.073 NA Inhouse_peptide NA peptide +5535 SMAP-34 (cathelicidin) GLFGRLRDSLQRGGQKILEKAERIWCKIKDIFRG 1941.5979 MH2+ Inhouse_peptide NA peptide +2689 NA GGLYLCRFGPVTWDCGYKGG 1941.9559 celiac toxic Inhouse_peptide NA peptide +3674 NA SIQDLNVSMKLFRKQAKWKILVKLNDGRELSLD 1942.5729 MH2+ Inhouse_peptide NA peptide +3677 NA SIQDLNVSMKLFRKQAKWKLIVKLNDGRELSLD 1942.5729 MH2+ Inhouse_peptide NA peptide +3681 NA SIQDLNVSMKLFRKQAKWKIIVKLNDGRELSLD 1942.5729 MH2+ Inhouse_peptide NA peptide +3678 NA SIQDLNVSMKLFRKQAKWKINVKLNDGRELSLD 1943.05235 MH2+ Inhouse_peptide NA peptide +2680 NA VGNYMCHFGPITWVCRPGGG 1943.9283 antibacterial Inhouse_peptide NA peptide +3206 cecropin B from Cecropia (moth) KWKVFKKIEKMGRNIRNGIVKAGPAIAVLGEAKALG 1945.13355 MH2+ Inhouse_peptide NA peptide +HMDB11806 Ganglioside GD1a (d18:1/26:1(17Z)) C93H163N3O39 1946.086426 NA HMDB2010 NA NA +HMDB11836 Ganglioside GD1b (d18:1/26:1(17Z)) C93H163N3O39 1946.086426 NA HMDB2010 NA NA +C17550 Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- C97H161N9O27P2 1946.0977 NA KEGG NA NA +C17551 2-Polyprenyl-6-hydroxyphenol C11H14O2 1946.0977 NA KEGG NA NA +C17552 2-Polyprenyl-6-methoxyphenol C12H16O2 1946.0977 NA KEGG NA NA +HMDB11791 Ganglioside GD1a (d18:0/26:1(17Z)) C93H165N3O39 1948.102051 NA HMDB2010 NA NA +HMDB11805 Ganglioside GD1a (d18:1/26:0) C93H165N3O39 1948.102051 NA HMDB2010 NA NA +HMDB11821 Ganglioside GD1b (d18:0/26:1(17Z)) C93H165N3O39 1948.102051 NA HMDB2010 NA NA +HMDB11835 Ganglioside GD1b (d18:1/26:0) C93H165N3O39 1948.102051 NA HMDB2010 NA NA +3806 NA SIQKLNVSMKLFRKQAKWKIIVKLNDGRELSLD 1949.10645 MH2+ Inhouse_peptide NA peptide +3676 NA SIQDLNVSMKLFRKQAKWKIILKLNDGRELSLD 1949.58095 MH2+ Inhouse_peptide NA peptide +3802 NA SIQDLNLSMKLFRKQAKWKIIVKLNDGRELSLD 1949.58095 MH2+ Inhouse_peptide NA peptide +3740 NA SIQDLKVSMKLFRKQAKWKIIVKLNDGRELSLD 1949.5985 MH2+ Inhouse_peptide NA peptide +HMDB11790 Ganglioside GD1a (d18:0/26:0) C93H167N3O39 1950.117676 NA HMDB2010 NA NA +HMDB11820 Ganglioside GD1b (d18:0/26:0) C93H167N3O39 1950.117676 NA HMDB2010 NA NA +8112 peptide derived from lecithin-free egg yolk LELHKLRSSHWFSRR 1951.05 neuropeptide Inhouse_peptide NA peptide +5481 beta-defensin 10 QGVRSYLSCWGNRGICLLNRCPGRMRQIGTCLAPRVKCCR 1952.59105 MH2+ Inhouse_peptide NA peptide +3104 fragment of beta-amyloid protein:1-16 DAEFRHDSGYQVHHQK 1952.8698 celiac toxic Inhouse_peptide NA peptide +3102 fragment of beta-amyloid protein:12-28 VHHQKLVFFAEDVGSNK 1953.9878 celiac toxic Inhouse_peptide NA peptide +7477 33mer coeliac toxic peptide LQLQPFPQPQLPYPQPQLPYPQPQLPYPQPQPF 1954.5005 MH2+ Inhouse_peptide NA peptide +5364 Cecropin A RWKLFKKIEKVGRNVRDGLIKAGPAIAVIGQAKSLG 1958.15635 MH2+ Inhouse_peptide NA peptide +3150 erythropoietin receptor agonist peptide DREGCRRGWVGQCKAWFN 1960.9608 celiac toxic Inhouse_peptide NA peptide +HMDB12041 Ganglioside GT2 (d18:1/18:1(11Z)) C90H154N4O42 1963.003784 NA HMDB2010 NA NA +HMDB12042 Ganglioside GT2 (d18:1/18:1(9Z)) C90H154N4O42 1963.003784 NA HMDB2010 NA NA +MetaCyc04451 alamethicin [] C93H154N22O24 1963.150634 NA metacyc NA NA +HMDB12026 Ganglioside GT2 (d18:0/18:1(11Z)) C90H156N4O42 1965.019409 NA HMDB2010 NA NA +HMDB12027 Ganglioside GT2 (d18:0/18:1(9Z)) C90H156N4O42 1965.019409 NA HMDB2010 NA NA +HMDB12040 Ganglioside GT2 (d18:1/18:0) C90H156N4O42 1965.019409 NA HMDB2010 NA NA +8345 fragment 17-48 of bovine lactoferrin FKCRRWQWRMKKLGAPSITCVRRAFALECIRA 1965.5132 MH2+ Inhouse_peptide NA peptide +2815 PEP inhibitor MTPPPLPARVDFSLAGALN 1966.0182 NA Inhouse_peptide NA peptide +C08977 Saponoside D C87H138O49 1966.8307 NA KEGG NA NA +HMDB12025 Ganglioside GT2 (d18:0/18:0) C90H158N4O42 1967.035034 NA HMDB2010 NA NA +3694 NA ANIKLSVEMKLFKRHLKWKIIVKLNDGRELSLD 1967.1245 MH2+ Inhouse_peptide NA peptide +2958 maiganin related peptide PGLA GMASKAGAIAGKIAKVALKAL~ 1967.1904 celiac toxic Inhouse_peptide NA peptide +5508 beta-defensin 9 QGVRNFVTCRINRGFCVPIRCPGHRRQIGTCLAPQIKCCR 1968.6249 MH2+ Inhouse_peptide NA peptide +5525 hepcidin 25 ( LEAP-1) DTHFPICIFCCGCCHRSKCGMCCKT 1970.9962 antioxidative Inhouse_peptide NA peptide +5498 Gallinacin 1 GRKSDCFRKSGFCAFLKCPSLTLISGKCSRFYLCCKRIWG 1973.09935 MH2+ Inhouse_peptide NA peptide +2970 maculatin 1,1,1 from Litoria genimaculata FVGLAKVAAHVVPAIAEHF~ 1974.1021 celiac toxic Inhouse_peptide NA peptide +5470 beta-defensin 7 QGVRNFVTCRINRGFCVPIRCPGHRRQIGTCLGPRIKCCR 1975.63845 MH2+ Inhouse_peptide NA peptide +2946 NA FGGFTGARRPKLKWDNQ 1977.0157 celiac toxic Inhouse_peptide NA peptide +2856 NA YGGFLRRIKSARKLANQ 1977.1229 antibacterial Inhouse_peptide NA peptide +7442 coeliac toxic peptide PLVQQQFLGQQQPFPPQ 1979.007 antioxidative Inhouse_peptide NA peptide +3990 Accutin GAQCTAGPCCWPCEGTICRRARGDDLDDYCNGISADCPRNPYY 1981.91565 MH2+ Inhouse_peptide NA peptide +5433 So-D1 (defensin) XTCESPSHKFKGPCATNRNCES 1985.9368 ACE inhibitor Inhouse_peptide NA peptide +8127 peptide derived from muscle protein of bullfrog (Rana catesbeiana Shaw) LEQQVDDLEGSLEQEKK 1986.9568 anticancer Inhouse_peptide NA peptide +3991 f(1-16 of bovine lactoferrin APRKNVRWCTISQPEW 1986.9689 antithrombotic Inhouse_peptide NA peptide +3477 alpha amylase ligand from Hordeum vulgare PRHVFYRWFLSNPRI 1987.0539 ACE inhibitor Inhouse_peptide NA peptide +8230 Antioxidative peptide IANNEADAISLDGGQVFEAG 1989.9126 NA ;SYN:(-)-(S)-Proline; (-)-2-Pyrrolidinecarboxylate; (-)-2-Pyrrolidinecarboxylic acid; (-)-Proline; (S)-(-)-Proline; (S)-(-)-Pyrrolidine-2-carboxylate; (S)-(-)-Pyrrolidine-2-carboxylic acid; (S)-2-Carboxypyrrolidine; (S)-2-Pyrralidinecarboxylate; (S)-2-Pyrralidinecarboxylic acid; (S)-2-Pyrrolidinecarboxylate; (S)-2-Pyrrolidinecarboxylic acid; (S)-Proline; 2-Pyrrolidinecarboxylate; 2-Pyrrolidinecarboxylic acid; ProlineH2Blood; Cerebrospinal Fluid; Saliva; Urine Inhouse_peptide NA peptide +HMDB12043 Ganglioside GT2 (d18:1/20:0) C92H160N4O42 1993.050659 NA HMDB2010 NA NA +8313 Anticancer peptide NENLLRFFVAPFPEVFG 1995.0088 NA ;SYN:Homo-L-citrulline; Homocitrulline; L-Homocitrulline; N-e-Carbamyl-L-lysine; N6-carbamoyl-L-Lysine; N6-carbamoyl-Lysine; N-epsilon-Carbamyl-L-lysineH2Blood Inhouse_peptide NA peptide +5426 ligatoxin A KSCCPSTTARNIYNTCRLTGTSRPTCASLSGCKIISGSTCBSGWBH 1995.02185 MH2+ Inhouse_peptide NA peptide +HMDB12028 Ganglioside GT2 (d18:0/20:0) C92H162N4O42 1995.066406 NA HMDB2010 NA NA +HMDB12118 (Mannosyl)2-(N-acetylglucosaminyl)2-diphosphodolichol C108H180N2O27P2 1999.224854 NA HMDB2010 NA NA +MetaCyc04452 (mannosyl)2-(N-acetylglucosaminyl)2-diphosphodolichol [{α-D-mannosyl-(1->3)-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;] C108H180N2O27P2 1999.224872 NA metacyc NA NA +3143 erythropoietin receptor agonist peptide GLGACRRGWVGHCNDWLNDEYAKKPGYAMPDGYPHNGT 1999.4209 MH2+ Inhouse_peptide NA peptide +3906 NA RNCESLSHRFKGPCTRDSNC 1999.9777 neuropeptide Inhouse_peptide NA peptide +3212 cecropin A from Cecropia (moth) KWKLFKKIEKVGQNIRDGIIKAGPAVAVVGQATQIAK~ 2000.6759 MH2+ Inhouse_peptide NA peptide +3153 erythropoietin receptor agonist peptide DVEACGGGWVGHCNYWLRDEYASKPIKQVPPGNHNQPS 2000.94725 MH2+ Inhouse_peptide NA peptide +2859 NA YGGFLRRKSARKLANHQ 2001.0969 antibacterial Inhouse_peptide NA peptide +3799 NA GILSKLGKALKKAAKHAAKA~ 2002.27 ACE inhibitor Inhouse_peptide NA peptide +3139 erythropoietin receptor agonist peptide EAQGCRWGWVGNCKEWLGDEYAKNTGTPAEKGKSRNPP 2006.46535 MH2+ Inhouse_peptide NA peptide +7721 NA GIEALKYHNMDLGTARGY~ 2006.9832 antioxidative Inhouse_peptide NA peptide +7456 coeliac toxic peptide PLLPQQPFPSQQEQPQF 2007.986 antioxidative Inhouse_peptide NA peptide +3765 heparin-binding peptide FKCRRWQWRMKKLGA 2010.0514 ACE inhibitor Inhouse_peptide NA peptide +3032 calmodulin-binding peptide LKKISQRYQKFALPQY 2010.124 celiac toxic Inhouse_peptide NA peptide +3962 NA LKKISQRYQKFALPQY 2010.124 ACE inhibitor Inhouse_peptide NA peptide +8161 f(164-179) of bovine alpha s2-casein LKKISQRYQKFALPQY 2010.124 antibacterial Inhouse_peptide NA peptide +5479 beta-defensin 2 VRNHVTCRINRGFCVPIRCPGRTRQIGTCFGPRIKCCRSW 2013.63585 MH2+ Inhouse_peptide NA peptide +8257 f(175-207) of bovine alpha s2-casein ALPQYLKTVYQHQKAMKPWIQPKTKVIPYVRYL 2014.1162 MH2+ Inhouse_peptide NA peptide +8338 Cr4 ALPQYLKTVYQHQKAMKPWIQPKTKVIPYVRYL 2014.1162 MH2+ Inhouse_peptide NA peptide +2793 polyphemusin II from homocytes of horse shoe crab RRWCFRVCYKGFCYRKCR~ 2016.1389 NA Inhouse_peptide NA peptide +C17549 Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- C100H166N10O28P2 2017.1348 NA KEGG NA NA +2940 NA FGGFTGRIRPKLKWDNQ 2019.0627 celiac toxic Inhouse_peptide NA peptide +HMDB12045 Ganglioside GT2 (d18:1/22:1(13Z)) C94H162N4O42 2019.066406 NA HMDB2010 NA NA +2682 NA DLEGCRLGWVGHCNVWGGDEYTKRTSHSVPPSHKSKLL 2021.0154 MH2+ Inhouse_peptide NA peptide +HMDB12030 Ganglioside GT2 (d18:0/22:1(13Z)) C94H164N4O42 2021.082031 NA HMDB2010 NA NA +HMDB12044 Ganglioside GT2 (d18:1/22:0) C94H164N4O42 2021.082031 NA HMDB2010 NA NA +HMDB12029 Ganglioside GT2 (d18:0/22:0) C94H166N4O42 2023.097656 NA HMDB2010 NA NA +2957 maiganin related peptide PGLA GMASKAGAIAGKIAKVALKALG 2025.1954 celiac toxic Inhouse_peptide NA peptide +C06251 Lauroyl-KDO2-lipid IV(A) C96H176N2O38P2 2027.1376 NA KEGG NA NA +C06254 Lysophospholipid C4H7O7PR2 2027.1376 NA KEGG NA NA +MetaCyc04453 KDO2-(lauroyl)-lipid IVA [lauroyl-KDO2-lipid IV (A);] C96H176N2O38P2 2027.137632 NA metacyc NA NA +2851 NA YGGFLRRIRPKLKLANQ 2029.1899 antibacterial Inhouse_peptide NA peptide +3211 cecropin A from Cecropia (moth) KWKLFKKIEKVGQNIRDGIIKAGPAVAVVGQATQIAKG 2029.67835 MH2+ Inhouse_peptide NA peptide +5516 styelin B GXFGPAFHSVSNFAKKHKTA 2030.0288 antioxidative Inhouse_peptide NA peptide +2969 maculatin 1,1,1 from Litoria genimaculata FVGLAKVAAHVVPAIAEHFG 2032.1071 celiac toxic Inhouse_peptide NA peptide +5500 drosomycin DCLSGRYKGPCAVWDNETCRRVCKEEGRSSGHCSPSLKCWCEGC 2034.9933 MH2+ Inhouse_peptide NA peptide +HMDB12046 Ganglioside GT2 (d18:1/23:0) C95H166N4O42 2035.097656 NA HMDB2010 NA NA +C13909 Diphosphoryl heptaacyl lipid A C110H208N2O26P2 2035.4491 NA KEGG NA NA +7066 coeliac toxic peptide QPFPQPQLPYPQPQLPY 2037.016 antioxidative Inhouse_peptide NA peptide +HMDB12031 Ganglioside GT2 (d18:0/23:0) C95H168N4O42 2037.113281 NA HMDB2010 NA NA +7778 Streptococcus mutans inhibitor TFFRLFNRSFTQALGKGGGKNLRIIRKGIHIIKKY 2038.6754 MH2+ Inhouse_peptide NA peptide +7459 coeliac toxic peptide WFQPSQLNPQAQQDQPQ 2038.9318 antioxidative Inhouse_peptide NA peptide +3155 erythropoietin receptor agonist peptide LLQMCSPGWVGHCNDWPRDEYANNPPNPVVDRQALTPP 2039.9734 MH2+ Inhouse_peptide NA peptide +HMDB11977 Ganglioside GT1b (d18:1/12:0) C90H154N4O47 2042.978394 NA HMDB2010 NA NA +HMDB12007 Ganglioside GT1c (d18:1/12:0) C90H154N4O47 2042.978394 NA HMDB2010 NA NA +2794 polyphemusin I from homocytes of horse shoe crab RRWCFRVCYRGFCYRKCR~ 2044.146 NA Inhouse_peptide NA peptide +HMDB11962 Ganglioside GT1b (d18:0/12:0) C90H156N4O47 2044.994019 NA HMDB2010 NA NA +HMDB11992 Ganglioside GT1c (d18:0/12:0) C90H156N4O47 2044.994019 NA HMDB2010 NA NA +C17542 Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- C100H166N12O28P2 2045.141 NA KEGG NA NA +HMDB12048 Ganglioside GT2 (d18:1/24:1(15Z)) C96H166N4O42 2047.097656 NA HMDB2010 NA NA +3436 Lactoferrampin WKLLSKAQEKFGKNKSR 2047.1509 ACE inhibitor Inhouse_peptide NA peptide +2769 NA YRVRVTPKEKTGPMKEM 2049.0668 celiac toxic Inhouse_peptide NA peptide +HMDB12033 Ganglioside GT2 (d18:0/24:1(15Z)) C96H168N4O42 2049.113281 NA HMDB2010 NA NA +HMDB12047 Ganglioside GT2 (d18:1/24:0) C96H168N4O42 2049.113281 NA HMDB2010 NA NA +5344 Bacteriocin sakacin A ARSYGNGVYCNNKKCWVNRGEATQSIIGGMISGWASGLAGM 2049.99465 MH2+ Inhouse_peptide NA peptide +3646 stimulating g-interferon production peptide CPQLQPQNPSQQQPQEQG 2050.8939 ACE inhibitor Inhouse_peptide NA peptide +HMDB12032 Ganglioside GT2 (d18:0/24:0) C96H170N4O42 2051.128906 NA HMDB2010 NA NA +3210 cecropin B analog (CB-1) KWKVFKKIEKMGRNIRNGIVKAGPKWKVFKKIEK~ 2055.2241 MH2+ Inhouse_peptide NA peptide +2831 parathyroid hormon (PTH) 1-34 SVSEIQLMHNLGKHLNSMERVEWLRKKLQDVHNF 2057.5542 MH2+ Inhouse_peptide NA peptide +7564 ACE inhibitor LVYPFPGPIPNSLPQNIPP 2059.0958 antioxidative Inhouse_peptide NA peptide +3823 NA GILSKLGKALKKAAKHAAKAG 2060.2749 ACE inhibitor Inhouse_peptide NA peptide +HMDB12049 Ganglioside GT2 (d18:1/25:0) C97H170N4O42 2063.128906 NA HMDB2010 NA NA +7722 NA GIEALKYHNMDLGTARGYG 2064.9882 antioxidative Inhouse_peptide NA peptide +3159 erythropoietin receptor agonist peptide AKVVCRNGWVGHCSAWLTDEYESNPNTRIPNTFDMKTP 2064.99145 MH2+ Inhouse_peptide NA peptide +HMDB12034 Ganglioside GT2 (d18:0/25:0) C97H172N4O42 2065.144531 NA HMDB2010 NA NA +2849 NA YGGFLRRIRFARKLANQ 2065.1658 antibacterial Inhouse_peptide NA peptide +HMDB11978 Ganglioside GT1b (d18:1/14:0) C92H158N4O47 2071.009521 NA HMDB2010 NA NA +HMDB12008 Ganglioside GT1c (d18:1/14:0) C92H158N4O47 2071.009521 NA HMDB2010 NA NA +3756 NA QWGRRCCGWGPGRRYCVRWC 2072.0669 ACE inhibitor Inhouse_peptide NA peptide +2854 NA YGGFLRRIRPKRKLANQ 2072.2068 antibacterial Inhouse_peptide NA peptide +HMDB11963 Ganglioside GT1b (d18:0/14:0) C92H160N4O47 2073.025391 NA HMDB2010 NA NA +HMDB11993 Ganglioside GT1c (d18:0/14:0) C92H160N4O47 2073.025391 NA HMDB2010 NA NA +2792 polyphemusin II from homocytes of horse shoe crab RRWCFRVCYKGFCYRKCRG 2074.144 NA Inhouse_peptide NA peptide +HMDB12051 Ganglioside GT2 (d18:1/26:1(17Z)) C98H170N4O42 2075.128906 NA HMDB2010 NA NA +HMDB12036 Ganglioside GT2 (d18:0/26:1(17Z)) C98H172N4O42 2077.144531 NA HMDB2010 NA NA +HMDB12050 Ganglioside GT2 (d18:1/26:0) C98H172N4O42 2077.144531 NA HMDB2010 NA NA +HMDB12035 Ganglioside GT2 (d18:0/26:0) C98H174N4O42 2079.160156 NA HMDB2010 NA NA +3161 erythropoietin receptor agonist peptide YSDVCRRGWVGHCEDWLGDEYSSQPSYALPHSTSLNPR 2080.4573 MH2+ Inhouse_peptide NA peptide +5506 beta-defensin 4 QRVRNPQSCRWNMGVCIPFLCRVGMRQIGTCFGPRVPCCRR 2080.6294 MH2+ Inhouse_peptide NA peptide +MetaCyc04454 KDO2-(palmitoleoyl)-lipid IVA [] C100H182N2O38P2 2081.184583 NA metacyc NA NA +3062 fragment of human beta-casein fr: 1-18 RETIESLSSSEESIPEYK 2082.979 celiac toxic Inhouse_peptide NA peptide +MetaCyc04455 KDO2-lipid IVB [] C100H184N2O38P2 2083.200233 NA metacyc NA NA +3209 cecropin B analog (CB-1) KWKVFKKIEKMGRNIRNGIVKAGPKWKVFKKIEKG 2084.22655 MH2+ Inhouse_peptide NA peptide +3141 erythropoietin receptor agonist peptide SLEPCRGGWVGHCNEWQRDEYAINPKWPNAPIEDPNPL 2090.4951 MH2+ Inhouse_peptide NA peptide +3156 erythropoietin receptor agonist peptide DFEDCQGGWVGHCNDWLGDEYARHPRYGATQTLSVNRH 2091.44165 MH2+ Inhouse_peptide NA peptide +3113 adrenocorticotropin hormone fr,:1-17 SYSMEHFRWGKPVGKKR 2092.0603 celiac toxic Inhouse_peptide NA peptide +5507 beta-defensin 5 QVVRNPQSCRWNMGVCIPISCPGNMRQIGTCFGPRVPCCRRW 2093.09715 MH2+ Inhouse_peptide NA peptide +5388 phylloxin GWMSKIASGIGTFLSGIGQQG 2094.0393 ACE inhibitor Inhouse_peptide NA peptide +3144 erythropoietin receptor agonist peptide EGEVCLPGWVGHCKYWLMDEYANIPRNPTPRSNELKPP 2094.52955 MH2+ Inhouse_peptide NA peptide +5435 human lactoferricin (LFh 20-38) CFQWQRNMRKVRGPPVSCI 2098.1204 ACE inhibitor Inhouse_peptide NA peptide +3142 erythropoietin receptor agonist peptide QVDTCTRGWVGHCNAWMGDEYAKTPGLPPMPQSDYLKPR 2098.99465 MH2+ Inhouse_peptide NA peptide +HMDB11979 Ganglioside GT1b (d18:1/16:0) C94H162N4O47 2099.041016 NA HMDB2010 NA NA +HMDB12009 Ganglioside GT1c (d18:1/16:0) C94H162N4O47 2099.041016 NA HMDB2010 NA NA +5425 denclatoxin B KSCCPTTAARNQYNICRLPGTPRPVCAALSGCKIISGTGCPPGYRH 2099.6284 MH2+ Inhouse_peptide NA peptide +HMDB11964 Ganglioside GT1b (d18:0/16:0) C94H164N4O47 2101.056641 NA HMDB2010 NA NA +HMDB11994 Ganglioside GT1c (d18:0/16:0) C94H164N4O47 2101.056641 NA HMDB2010 NA NA +2795 polyphemusin I from homocytes of horse shoe crab RRWCFRVCYRGFCYRKCRG 2102.1509 NA Inhouse_peptide NA peptide +3154 erythropoietin receptor agonist peptide DREGCRRGWVGQCKAWFNDEYAKPPKKPFRNSYSLGPA 2103.5503 MH2+ Inhouse_peptide NA peptide +5547 BMAP-34 (cathelicidin) AGLFRRLRDSIRRGQQKILEKARRIGERIKDIFRG 2103.72145 MH2+ Inhouse_peptide NA peptide +5343 Bacteriocin pisciolin 126 KYYGNGVSCNKNGCTVDWSKAIGIIGNNAAANLTTGGAAGWNKG 2104.5376 MH2+ Inhouse_peptide NA peptide +5406 Sarcotoxin IA GWLKKIGKKIERVGQHTRDATIQGLGIAQQAANVAATARG 2105.66285 MH2+ Inhouse_peptide NA peptide +5466 beta-defensin 3 QGVRNHVTCRINRGFCVPIRCPGRTRQIGTCFGPRIKCCRSW 2106.1753 MH2+ Inhouse_peptide NA peptide +8174 peptide derived from bovine b-casein (1-28) LLYQEPVLGPVRGPFPIIV 2106.206 antibacterial Inhouse_peptide NA peptide +5428 Viscotoxin A2 KSCCPNTTGRNIYNTCRFGGGSREVCASLSGCKIISASTCPSYPDK 2106.5637 MH2+ Inhouse_peptide NA peptide +7455 coeliac toxic peptide QVQWPQQQPFPQPQQPF 2107.007 antioxidative Inhouse_peptide NA peptide +5429 Viscotoxin A3 KSCCPNTTGRNIYNACRLTGAPRPTCAKLSGCKIISGSTCPSDYPK 2107.11525 MH2+ Inhouse_peptide NA peptide +5492 Apidaecin IB GNNRPVYIPQPRPPHPRL 2107.1367 opioid Inhouse_peptide NA peptide +C16302 Ternatin A1 C96H107O53 2107.5678 NA KEGG NA NA +8314 Anticancer peptide LNENLLRFFVAPFPEVFG 2108.0928 NA ;SYN:(S)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoate; (S)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoic acid; (alphaS)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoate; (alphaS)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoic acid; 3-(3-Hydroxyanthraniloyl)-L-alanine; 3-Anthraniloylalanine; 3-Hydroxy-L-kynurenine; 3-anthraniloyl-Alanine; 3-anthraniloyl-L-alanine; DL-Kynureninefree base; Kynurenin; Quinurenine; alpha,2-diamino-gamma-oxo-Benzenebutanoate; alpha,2-diamino-gamma-oxo-Benzenebutanoic acid; dl-KynurenineH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +5467 beta-defensin 6 QGVRNHVTCRIYGGFCVPIRCPGRTRQIGTCFGRPVKCCRRW 2108.6719 MH2+ Inhouse_peptide NA peptide +3160 erythropoietin receptor agonist peptide DLAGCRRGWVGHCSEWLRDEYTSNPRYPVAPSYRLQPP 2112.53835 MH2+ Inhouse_peptide NA peptide +2771 NA YEKPGSPPREVVPRPRPGV 2116.134 celiac toxic Inhouse_peptide NA peptide +2855 NA FGGFTRRIRPKLKWDNQ 2118.1428 antibacterial Inhouse_peptide NA peptide +5407 Sarcotoxin IB GWLKKIGKKIERVGQHTRDATIQVIGVAQQAANVAATARG 2119.67845 MH2+ Inhouse_peptide NA peptide +5491 Apidaecin II GNNRPIYIPQPRPPHPRL 2121.1528 opioid Inhouse_peptide NA peptide +8336 fragment 165-181of ovine as2-casein LKKISQRYQKFALPQYL 2123.208 NA ;SYN:3-(3-hydroxyanthraniloyl)-Alanine; 3-Hydroxy-DL-kynurenine; 3-Hydroxykynurenine; 3-hydroxy-Kynurenine; DL-3-Hydroxykynurenine; Hydroxykynurenine; Hydroxykinurenine; OH-KynurenineH2Blood; Urine Inhouse_peptide NA peptide +HMDB11981 Ganglioside GT1b (d18:1/18:1(11Z)) C96H164N4O47 2125.056641 NA HMDB2010 NA NA +HMDB11982 Ganglioside GT1b (d18:1/18:1(9Z)) C96H164N4O47 2125.056641 NA HMDB2010 NA NA +HMDB12011 Ganglioside GT1c (d18:1/18:1(11Z)) C96H164N4O47 2125.056641 NA HMDB2010 NA NA +HMDB12012 Ganglioside GT1c (d18:1/18:1(9Z)) C96H164N4O47 2125.056641 NA HMDB2010 NA NA +5367 Cecropin C GWLKKLGKRIERIGQHTRDATIQGLGIAQQAANVAATARG 2126.6743 MH2+ Inhouse_peptide NA peptide +HMDB11966 Ganglioside GT1b (d18:0/18:1(11Z)) C96H166N4O47 2127.072266 NA HMDB2010 NA NA +HMDB11967 Ganglioside GT1b (d18:0/18:1(9Z)) C96H166N4O47 2127.072266 NA HMDB2010 NA NA +HMDB11980 Ganglioside GT1b (d18:1/18:0) C96H166N4O47 2127.072266 NA HMDB2010 NA NA +HMDB11996 Ganglioside GT1c (d18:0/18:1(11Z)) C96H166N4O47 2127.072266 NA HMDB2010 NA NA +HMDB11997 Ganglioside GT1c (d18:0/18:1(9Z)) C96H166N4O47 2127.072266 NA HMDB2010 NA NA +HMDB12010 Ganglioside GT1c (d18:1/18:0) C96H166N4O47 2127.072266 NA HMDB2010 NA NA +5360 cecropin1 (Ceratitis capitata) GWLKKIGKKIERVGQHTRDATIQTIAVAQQAANVAATARG 2127.6758 MH2+ Inhouse_peptide NA peptide +3031 calmodulin-binding peptide KPWIQPKTKVIPYVRYL 2128.237 celiac toxic Inhouse_peptide NA peptide +3149 erythropoietin receptor agonist peptide NIQGCIRGWVGQCKDWLRDEYAREHTNQETPNNLLNPP 2129.04125 MH2+ Inhouse_peptide NA peptide +HMDB11965 Ganglioside GT1b (d18:0/18:0) C96H168N4O47 2129.087891 NA HMDB2010 NA NA +HMDB11995 Ganglioside GT1c (d18:0/18:0) C96H168N4O47 2129.087891 NA HMDB2010 NA NA +3758 NA QWGRRCCGWGPGRRYCRRWC 2129.1001 ACE inhibitor Inhouse_peptide NA peptide +2860 NA FGGFLRRIRPKLKWDNQ 2130.1797 antibacterial Inhouse_peptide NA peptide +5523 buforin 1 AGRGKQGGKVRAKAKTRSSRAGLQFPVGRVHRLLRKGNY 2130.2195 MH2+ Inhouse_peptide NA peptide +3145 erythropoietin receptor agonist peptide DFDVCRRGWVGHCKDWLSDEYASNPSYPVPHSYYLNPP 2131.4822 MH2+ Inhouse_peptide NA peptide +2698 NA LAIEGPTLRQWLHGNGRDT 2133.0908 celiac toxic Inhouse_peptide NA peptide +3757 NA QYGRRCCNWGPGRRYCKWRC 2135.0989 ACE inhibitor Inhouse_peptide NA peptide +5441 caprine LF (from caprine lactoferrin 271-288) LRKAQEKFGKNKSQSFQL 2136.1619 ACE inhibitor Inhouse_peptide NA peptide +2695 NA TIKGPTLRQWLKSREHTS 2137.157 celiac toxic Inhouse_peptide NA peptide +5368 Sarcotoxin IC GWLRKIGKKIERVGQHTRDATIQVLGIAQQAANVAATARG 2140.68995 MH2+ Inhouse_peptide NA peptide +5365 Cecropin B GWLRKLGKKIERIGQHTRDASIQVLGIAQQAANVAATARG 2140.69045 MH2+ Inhouse_peptide NA peptide +3671 NA QYRHRCCAWGPGRKYCKRWC 2144.123 ACE inhibitor Inhouse_peptide NA peptide +2972 maculatin 1,1, from Litoria genimaculata GLFGVLAKVAAHVVPAIAEHF~ 2144.207 celiac toxic Inhouse_peptide NA peptide +2858 dynorphin A YGGFLRRIRPKLKWDNQ 2146.1748 antibacterial Inhouse_peptide NA peptide +3148 erythropoietin receptor agonist peptide DVHECRPGWVGHCKDWLSDEYASNRRSPEPHRNYPIPP 2146.5198 MH2+ Inhouse_peptide NA peptide +3140 erythropoietin receptor agonist peptide DVEVCRGGWVGHCNAWLRDEYNRQPKKPVQQQVVYSTR 2147.0823 MH2+ Inhouse_peptide NA peptide +3146 erythropoietin receptor agonist peptide GKEVCRRGWVGHCQEWPMDEYTRNPSHPVPHNSRHKTP 2150.53345 MH2+ Inhouse_peptide NA peptide +HMDB11983 Ganglioside GT1b (d18:1/20:0) C98H170N4O47 2155.103516 NA HMDB2010 NA NA +HMDB12013 Ganglioside GT1c (d18:1/20:0) C98H170N4O47 2155.103516 NA HMDB2010 NA NA +HMDB11968 Ganglioside GT1b (d18:0/20:0) C98H172N4O47 2157.119141 NA HMDB2010 NA NA +HMDB11998 Ganglioside GT1c (d18:0/20:0) C98H172N4O47 2157.119141 NA HMDB2010 NA NA +5340 Bacteriocin carnobacteriocin BM1 AISYGNGVYCNKEKCWVNKAENKQAITGIVIGGWASSLAGMGH 2159.08545 MH2+ Inhouse_peptide NA peptide +C05895 Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- C104H172N14O30P2 2159.1839 NA KEGG NA NA +C05896 Crosslinked peptideglycan C104H172N14O30P2 2159.1839 NA KEGG NA NA +7775 Streptococcus mutans inhibitor QLKTADLPAGRDETTSFVLV 2160.1248 antioxidative Inhouse_peptide NA peptide +HMDB12119 (Mannosyl)3-(N-acetylglucosaminyl)2-diphosphodolichol C114H190N2O32P2 2161.277588 NA HMDB2010 NA NA +MetaCyc04456 (mannosyl)3-(N-acetylglucosaminyl)2-diphosphodolichol [{α-D-mannosyl-(1->3)-[α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;] C114H190N2O32P2 2161.277695 NA metacyc NA NA +2686 NA GNADGPTLRQWLEGRRPKN 2164.1077 antibacterial Inhouse_peptide NA peptide +8158 ACE inhibitor from beta-CN (104-120) PKHKEMPFPPKYPVEPFT 2168.0904 antibacterial Inhouse_peptide NA peptide +5369 Sarcotoxin ID GWIRDFGKRIERVGQHTRDATIQTIAVAQQAANVAATLKG 2173.1614 MH2+ Inhouse_peptide NA peptide +3822 NA GLLRRLRKKIGEIFKKYG 2174.335 ACE inhibitor Inhouse_peptide NA peptide +7053 Cecropin magainin hybrid, synthetic peptide KWKLFKKIKFLHSAKKF 2176.32 antioxidative Inhouse_peptide NA peptide +7465 coeliac toxic peptide AGQQQPFPPQQPYPQPQPF 2179.027 antioxidative Inhouse_peptide NA peptide +HMDB11985 Ganglioside GT1b (d18:1/22:1(13Z)) C100H172N4O47 2181.119141 NA HMDB2010 NA NA +HMDB12015 Ganglioside GT1c (d18:1/22:1(13Z)) C100H172N4O47 2181.119141 NA HMDB2010 NA NA +5359 Myeloid antibacterial peptide 37(PMAP37 ) GLLSRLRDFLSDRGRRLGEKIERIGQKIKDLSEFFQS 2181.1914 MH2+ Inhouse_peptide NA peptide +HMDB11970 Ganglioside GT1b (d18:0/22:1(13Z)) C100H174N4O47 2183.134766 NA HMDB2010 NA NA +HMDB11984 Ganglioside GT1b (d18:1/22:0) C100H174N4O47 2183.134766 NA HMDB2010 NA NA +HMDB12000 Ganglioside GT1c (d18:0/22:1(13Z)) C100H174N4O47 2183.134766 NA HMDB2010 NA NA +HMDB12014 Ganglioside GT1c (d18:1/22:0) C100H174N4O47 2183.134766 NA HMDB2010 NA NA +7739 NA SPTISITAPIDVLRKTWEQERARKQMVKNREFLNSLN 2184.163 MH2+ Inhouse_peptide NA peptide +HMDB11969 Ganglioside GT1b (d18:0/22:0) C100H176N4O47 2185.150391 NA HMDB2010 NA NA +HMDB11999 Ganglioside GT1c (d18:0/22:0) C100H176N4O47 2185.150391 NA HMDB2010 NA NA +3157 erythropoietin receptor agonist peptide DLEVCRGGWVGHCKDWIWDEYARNPRYPDPQRKEVKSP 2189.07665 MH2+ Inhouse_peptide NA peptide +7466 coeliac toxic peptide LGQQQAFPPQQPYPQPQPF 2195.059 antioxidative Inhouse_peptide NA peptide +3242 bombinin-like peptide BLP-2 GIGSAILSAGKSALKGGLAGHFAN~ 2195.2 celiac toxic Inhouse_peptide NA peptide +5347 Abaecin from Bumblebee FVPYNPPRPGQSKPFPSFPGHGPFNPKIQWPYPLPNPGH 2196.09325 MH2+ Inhouse_peptide NA peptide +HMDB11986 Ganglioside GT1b (d18:1/23:0) C101H176N4O47 2197.150391 NA HMDB2010 NA NA +HMDB12016 Ganglioside GT1c (d18:1/23:0) C101H176N4O47 2197.150391 NA HMDB2010 NA NA +5422 drosocin GKPRPYSPRPTSHPRPIRV 2197.2151 ACE inhibitor Inhouse_peptide NA peptide +8341 Kappacin fragment AVESTVATLEDSPEVIESPPE 2198.0289 NA ;SYN:(+-)-homocysteine; (S)-2-amino-4-mercapto-Butanoic acid; 2-Amino-4-mercaptobutyric acid; 2-amino-4-mercapto-Butanoic acid; 2-amino-4-mercapto-Butyric acid; 2-amino-4-mercapto-DL-Butyrate; 2-amino-4-mercapto-DL-Butyric acid; 2-amino-4-sulfanylbutanoic acid; D,l-homocysteine; DL-2-Amino-4-mercaptobutyric acid; DL-2-amino-4-mercapto-Butyric acid; DL-Homocysteine; DL-homocysteine (free base); HCY; Homo-CYS; L-2-amino-4-mercapto-Butyric acid; L-Homocysteine; Usaf B-12; homocysteine; (S)-2-amino-4-mercapto-Butanoate; 2-amino-4-mercapto-Butanoate; 2-amino-4-sulfanylbutanoateH2Blood; Cerebrospinal Fluid; Urine Inhouse_peptide NA peptide +HMDB11971 Ganglioside GT1b (d18:0/23:0) C101H178N4O47 2199.16626 NA HMDB2010 NA NA +HMDB12001 Ganglioside GT1c (d18:0/23:0) C101H178N4O47 2199.16626 NA HMDB2010 NA NA +7792 18A peptide - lipids binding peptide DWLKAFYDKVAEKLKEAF 2200.1388 antioxidative Inhouse_peptide NA peptide +2971 maculatin 1,1, from Litoria genimaculata GLFGVLAKVAAHVVPAIAEHFG 2202.2119 celiac toxic Inhouse_peptide NA peptide +8260 f(165-181) of ovine alpha s2-casein LKKISQYYQKFAWPQYL 2203.165 NA ;SYN:(-)-Thyroxine; 3,3',5,5''-Tetraiodo-L-thyronine; 3,3',5,5'-Tetraiodo-L-thyronine; 3,5,3',5'-Tetraiodo-L-Thyronine; 3,5,3',5'-Tetraiodothyronine; 3,5,3'5'-Tetraiodo-L-thyronine; DL-Thyroxin; Henning; L-3,5,3',5'-Tetraiodothyronine; L-Thyroxin; L-Thyroxine; Laevothyroxinum; Levothroid; Levothyroxin; Levothyroxine; Levothyroxine sodium; Levothyroxinum; Levoxyl; Prestwick_548; Synthroid; T4; THX; Tetraiodothyronine; Tetramet; Thyratabs; Thyrax; Thyreoideum; Thyroxin; Thyroxinal; Thyroxine; Thyroxine I 125; Thyroxine iodine; d-ThyroxineH2Blood; Saliva; Urine Inhouse_peptide NA peptide +HMDB11988 Ganglioside GT1b (d18:1/24:1(15Z)) C102H176N4O47 2209.150391 NA HMDB2010 NA NA +HMDB12018 Ganglioside GT1c (d18:1/24:1(15Z)) C102H176N4O47 2209.150391 NA HMDB2010 NA NA +3909 NA RICRRRSAGFKGPCVSNKNCAQVCMQEGWGGGNCDGPLRRCKCMRRC 2211.1621 MH2+ Inhouse_peptide NA peptide +HMDB11973 Ganglioside GT1b (d18:0/24:1(15Z)) C102H178N4O47 2211.16626 NA HMDB2010 NA NA +HMDB11987 Ganglioside GT1b (d18:1/24:0) C102H178N4O47 2211.16626 NA HMDB2010 NA NA +HMDB12003 Ganglioside GT1c (d18:0/24:1(15Z)) C102H178N4O47 2211.16626 NA HMDB2010 NA NA +HMDB12017 Ganglioside GT1c (d18:1/24:0) C102H178N4O47 2211.16626 NA HMDB2010 NA NA +HMDB11972 Ganglioside GT1b (d18:0/24:0) C102H180N4O47 2213.181885 NA HMDB2010 NA NA +HMDB12002 Ganglioside GT1c (d18:0/24:0) C102H180N4O47 2213.181885 NA HMDB2010 NA NA +8258 f(172-207) of bovine alpha s2-casein QKFALPQYLKTVYQHQKAMKPWIQPKTKVIPYVRYL 2215.7262 MH2+ Inhouse_peptide NA peptide +8340 Cr7 QKFALPQYLKTVYQHQKAMKPWIQPKTKVIPYVRYL 2215.7262 MH2+ Inhouse_peptide NA peptide +5544 Hadrurin GILDTIKSIASKVWNSKTVQDLKRKGINWVANKLGVSPQAA 2216.73315 MH2+ Inhouse_peptide NA peptide +7454 coeliac toxic peptide LQQVQQGPQQQPFPQPQPF 2219.091 antioxidative Inhouse_peptide NA peptide +3987 NA LGQQQPFPPQQPYPQPQPF 2221.074 opioid Inhouse_peptide NA peptide +HMDB06625 Neu5Ac(2->3)Gal(1->4)GlcNAc(1->2) Man(1->3)Neu5Ac(2->3)Gal(1->4)GlcNAc(1->2)Man(1->6)Man(1->4)GlcNAc(1->4)GlcNAc C84H138N6O62 2222.782959 NA HMDB2010 NA NA +HMDB06625 Neu5Ac(2->3)Gal(1->4)GlcNAc(1->2) Man(1->3)Neu5Ac(2->3)Gal(1->4)GlcNAc(1->2)Man(1->6)Man(1->4)GlcNAc(1->4)GlcNAc C84H138N6O62 2222.78296 http://www.hmdb.ca/metabolites/HMDB06625 HMDB NA NA +HMDB06625 Neu5Ac(2->3)Gal(1->4)GlcNAc(1->2) Man(1->3)Neu5Ac(2->3)Gal(1->4)GlcNAc(1->2)Man(1->6)Man(1->4)GlcNAc(1->4)GlcNAc C84H138N6O62 2222.78296 HMDB06625 PFEM_hmdb_metabocards_official NA NA +HMDB11989 Ganglioside GT1b (d18:1/25:0) C103H180N4O47 2225.181885 NA HMDB2010 NA NA +HMDB12019 Ganglioside GT1c (d18:1/25:0) C103H180N4O47 2225.181885 NA HMDB2010 NA NA +5536 CAP-7 (cathelicidin) GLRKRLRKFRNKIKEKLKKIGQKIQGFVPKLAPRTDY 2225.3423 MH2+ Inhouse_peptide NA peptide +HMDB11974 Ganglioside GT1b (d18:0/25:0) C103H182N4O47 2227.19751 NA HMDB2010 NA NA +HMDB12004 Ganglioside GT1c (d18:0/25:0) C103H182N4O47 2227.19751 NA HMDB2010 NA NA +46 Hemoglobin VLSAADKGNVKAAWGKVGGHAAE 2235.183 celiac toxic Inhouse_peptide NA peptide +HMDB11991 Ganglioside GT1b (d18:1/26:1(17Z)) C104H180N4O47 2237.181885 NA HMDB2010 NA NA +HMDB12021 Ganglioside GT1c (d18:1/26:1(17Z)) C104H180N4O47 2237.181885 NA HMDB2010 NA NA +MetaCyc04457 KDO2-lipid A [Re endotoxin;] C110H202N2O39P2 2237.335998 NA metacyc NA NA +C06026 Di[3-deoxy-D-manno-octulosonyl]-lipid A C110H202N2O39P2 2237.336 NA KEGG NA NA +HMDB11976 Ganglioside GT1b (d18:0/26:1(17Z)) C104H182N4O47 2239.19751 NA HMDB2010 NA NA +HMDB11990 Ganglioside GT1b (d18:1/26:0) C104H182N4O47 2239.19751 NA HMDB2010 NA NA +HMDB12006 Ganglioside GT1c (d18:0/26:1(17Z)) C104H182N4O47 2239.19751 NA HMDB2010 NA NA +HMDB12020 Ganglioside GT1c (d18:1/26:0) C104H182N4O47 2239.19751 NA HMDB2010 NA NA +HMDB11975 Ganglioside GT1b (d18:0/26:0) C104H184N4O47 2241.213135 NA HMDB2010 NA NA +HMDB12005 Ganglioside GT1c (d18:0/26:0) C104H184N4O47 2241.213135 NA HMDB2010 NA NA +3907 NA RVCMGKSAGFKGLCMRDQNCAQVCLQEGWGGGNCDGVMRQCKCIRQCW 2244.11745 MH2+ Inhouse_peptide NA peptide +5533 LL-37 (cathelicidin) LLGDFFRKSKEKIGKEFKRIVQRIKDFLRNLVPRTES 2245.2754 MH2+ Inhouse_peptide NA peptide +7449 coeliac toxic peptide FPQHCNYQQQPQTFPQPF 2250.9709 antioxidative Inhouse_peptide NA peptide +3241 bombinin-like peptide BLP-2 GIGSAILSAGKSALKGGLAGHFANG 2253.2048 celiac toxic Inhouse_peptide NA peptide +3908 NA KICRRRSAGFKGPPCMSNKNCAQVCQQEGWGGGNCDGPFRRCKCIRQC 2254.1719 MH2+ Inhouse_peptide NA peptide +7458 coeliac toxic peptide QSNLPQPAQQPFQPQVPQQP 2256.1079 antioxidative Inhouse_peptide NA peptide +7048 Golden oyster mushroom, antiviral protein Y3 VYINKLTPPCGTMYYACEAV 2269.0053 antioxidative Inhouse_peptide NA peptide +3075 human adrenocorticotropin hormone (ACTH) SYSMEHFRWGKPVGKKRRPVKVYPNGAEDESAEAFPLEF 2269.1162 MH2+ Inhouse_peptide NA peptide +5380 Brevinin-1EB VIPFVASVAAEMQHVYCAASRKC 2273.1814 antioxidative Inhouse_peptide NA peptide +7056 Cecropin A-magainin 2 hybrid KWKLFKKISKFLHLAKKF 2289.404 antioxidative Inhouse_peptide NA peptide +MetaCyc04458 KDO2-lipid A, cold adapted [cold adapted KDO(2)-lipid (A);KDO2-(palmitoleoyl-myristoyl)-lipid A;] C114H208N2O39P2 2291.382948 NA metacyc NA NA +3247 bombinin from B, Variegata GIGALSAKGALKGLAKGLAEHFAN~ 2292.2878 celiac toxic Inhouse_peptide NA peptide +5387 esculentin-1B GIFSKLAGKKLKNLLISGLKNVGKEVGMDVVRTGIDIAGCKIKGEC 2296.82495 MH2+ Inhouse_peptide NA peptide +5401 esculentin-1A GIFSKLAGKKIKNLLISGLKNVGKEVGMDVVRTGIDIAGCKIKGEC 2296.82495 MH2+ Inhouse_peptide NA peptide +3051 inhibitor blood platelet aggregation ECESGPCCRNCKFLKEGTICKRARGDDMDDYCNGKTCDCPRNPHKGPAT 2298.61035 MH2+ Inhouse_peptide NA peptide +4017 Echistatin ECESGPCCRNCKFLKEGTICKRARGDDMDDYCNGKTCDCPRNPHKGPAT 2298.61035 MH2+ Inhouse_peptide NA peptide +7055 P-18 KWKLFKKIPKFLHLAKKF 2299.424 antioxidative Inhouse_peptide NA peptide +HMDB00652 Chondroitin 4-sulfate C70H97N5O71S5 2303.273682 NA HMDB2010 NA NA +2823 PEP inhibitor RYDWWPYGNLFGGHTFISP 2312.0627 NA Inhouse_peptide NA peptide +5439 chromacin (from chromogranin A) YPGPQAKEDSEGPSQGPASREK 2314.062 ACE inhibitor Inhouse_peptide NA peptide +7057 L9-P18, cecropin A-magainin 2 hybrid KWKLFKKILKFLHLAKKF 2315.456 antioxidative Inhouse_peptide NA peptide +MetaCyc04459 (mannosyl)4-(N-acetylglucosaminyl)2-diphosphodolichol [{α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;] C120H200N2O37P2 2323.330518 NA metacyc NA NA +HMDB12120 (Mannosyl)4-(N-acetylglucosaminyl)2-diphosphodolichol C120H200N2O37P2 2323.330566 NA HMDB2010 NA NA +5398 brevinin-1 FLPVLAGIAAKVVPALFCKITKKC 2323.4561 ACE inhibitor Inhouse_peptide NA peptide +5431 So-D6 (defensin) GIFSNMYXRTPAGYFRGPXGGYXXN 2324.0623 ACE inhibitor Inhouse_peptide NA peptide +5293 Ct-AMP1 NLCERASLTWTGNCGNTGHCDTQCRNWESAKHGACHRGNWKCFCYFNC 2328.58155 MH2+ Inhouse_peptide NA peptide +3030 calmodulin-binding peptide AMKPWIQPKTKVIPYVRYL 2330.3144 celiac toxic Inhouse_peptide NA peptide +HMDB11947 Ganglioside GQ1c (d18:1/12:0) C101H171N5O55 2334.07373 NA HMDB2010 NA NA +HMDB11932 Ganglioside GQ1c (d18:0/12:0) C101H173N5O55 2336.089355 NA HMDB2010 NA NA +5518 Pyrrhocoricin VDKGSYLPRPTPPRPIYNRN 2339.2317 antioxidative Inhouse_peptide NA peptide +5402 esculentin -1 GIFSKLGRKKIKNLLISGLKNVGKEVGMDVVRTGIDIAGCKIKGEC 2339.35695 MH2+ Inhouse_peptide NA peptide +3903 NA ELCEKASKTWSGNCGNTGHCDNQCKSWEGAAHGACHVRNGKHMCFCYFNC 2348.57395 MH2+ Inhouse_peptide NA peptide +3248 bombinin from B, Variegata GIGALSAKGALKGLAKGLAEHFANG 2350.293 celiac toxic Inhouse_peptide NA peptide +5411 bovine lactoferrin (LFb 19-37) CRRWQWRMKKLGAPSITCV 2352.1724 ACE inhibitor Inhouse_peptide NA peptide +3963 NA LKKISQRYQKFALPQYLKT 2352.3489 ACE inhibitor Inhouse_peptide NA peptide +5532 FALL39 (cathelicidin) FALLGDFFRKSKEKIGKEFKRIVQRIKDFLRNLVPRTES 2354.3279 MH2+ Inhouse_peptide NA peptide +2967 maculatin 1,2, from Litoria genimaculata GLFGVLAKVASHVVPAIAEHFQA~ 2359.2971 celiac toxic Inhouse_peptide NA peptide +HMDB11948 Ganglioside GQ1c (d18:1/14:0) C103H175N5O55 2362.10498 NA HMDB2010 NA NA +7777 Streptococcus mutans inhibitor SGSLSTFFRLFNRSFTQALGK 2363.2219 antioxidative Inhouse_peptide NA peptide +5377 gaegurin 5 FLGALFKVASKVLPSVFCAITKKC 2363.415 binding Inhouse_peptide NA peptide +HMDB11933 Ganglioside GQ1c (d18:0/14:0) C103H177N5O55 2364.120605 NA HMDB2010 NA NA +7441 coeliac toxic peptide QQXSQPQXPQQQQXPQQPQQ 2369.188 antioxidative Inhouse_peptide NA peptide +4008 NA FLGYDCNLEKCNHHGVCNNKKNCH 2377.1484 antifungal Inhouse_peptide NA peptide +3245 bombinin like peptide BLP-3 GIGAAILSAGKSALKGLAKGLAEHF~ 2378.3611 celiac toxic Inhouse_peptide NA peptide +5341 Bacteriocin carnobacteriocin B2 VNYGNGVSCSKTKCSVNWGQAFQERYTAGINSFVSGVASGAGSIGRRP 2380.17775 MH2+ Inhouse_peptide NA peptide +3821 NA GRFRRLGRKFKKLFKKYGP 2381.4238 ACE inhibitor Inhouse_peptide NA peptide +5519 PR-39 RRRPRPPYLPRPRPPPFFPPRLPPRIPPGFPPRFPPRFPG 2387.3474 MH2+ Inhouse_peptide NA peptide +HMDB11949 Ganglioside GQ1c (d18:1/16:0) C105H179N5O55 2390.136475 NA HMDB2010 NA NA +HMDB11934 Ganglioside GQ1c (d18:0/16:0) C105H181N5O55 2392.1521 NA HMDB2010 NA NA +5539 Ct-AMP1 NLCERASLTWTGNCGNTGHCDTQCRNWESAKHGACHKRGNWKCFCYFNC 2392.62865 MH2+ Inhouse_peptide NA peptide +7065 coeliac toxic peptide QQQQPPFSQQQQSPFSQQQQ 2401.084 antioxidative Inhouse_peptide NA peptide +7438 coeliac toxic peptide QQQQPFPSQQQQSPFSQQQQ 2401.084 antioxidative Inhouse_peptide NA peptide +5378 gaegurin 6 FLPLLAGLAANFLPTIICKISYKC 2402.417 antioxidative Inhouse_peptide NA peptide +2962 magainin 1 from skin of Xenopus laevis GIGKFLHSAGKFGKAFVGEIMKS 2408.2834 celiac toxic Inhouse_peptide NA peptide +7789 de novo designed peptide GLFEALLELLESLWELLLLEA 2413.324 antioxidative Inhouse_peptide NA peptide +5410 So-D4 (defensin) MFFSSKKCKTVSKTFRGPCVRNA 2415.3013 ACE inhibitor Inhouse_peptide NA peptide +HMDB11951 Ganglioside GQ1c (d18:1/18:1(11Z)) C107H181N5O55 2416.1521 NA HMDB2010 NA NA +HMDB11952 Ganglioside GQ1c (d18:1/18:1(9Z)) C107H181N5O55 2416.1521 NA HMDB2010 NA NA +2968 maculatin 1,2, from Litoria genimaculata GLFGVLAKVASHVVPAIAEHFQAG 2417.302 celiac toxic Inhouse_peptide NA peptide +HMDB11936 Ganglioside GQ1c (d18:0/18:1(11Z)) C107H183N5O55 2418.167725 NA HMDB2010 NA NA +HMDB11937 Ganglioside GQ1c (d18:0/18:1(9Z)) C107H183N5O55 2418.167725 NA HMDB2010 NA NA +HMDB11950 Ganglioside GQ1c (d18:1/18:0) C107H183N5O55 2418.167725 NA HMDB2010 NA NA +HMDB11935 Ganglioside GQ1c (d18:0/18:0) C107H185N5O55 2420.18335 NA HMDB2010 NA NA +5339 Bacteriocin carnobacteriocin A DQMSDGVNYGKGSSLSKGGAKCGLGIVGGLATIPSGPLGWLAGAAGVINSCMK 2421.73655 MH2+ Inhouse_peptide NA peptide +5494 histatin 1 DSHEKRHHGYRRKFHEKHHSHREFPFYGDYGSNYLYDN 2422.5991 MH2+ Inhouse_peptide NA peptide +3432 Casocidin-I f(150-188 KTKLTEEEKNRLNFLKKISQRYQKFALPQYLKTVYQHQK 2433.3364 MH2+ Inhouse_peptide NA peptide +5524 buforin 2 TRSSRAGLQFPVGRVHRLLRK 2433.4131 antioxidative Inhouse_peptide NA peptide +5504 Penaeidin-1 YRGGYTGPIPRPPPIGRPPLRLVVCACYRLSVSDARNCCIKFGSCCHLVK 2434.8623 MH2+ Inhouse_peptide NA peptide +3246 bombinin like peptide BLP-3 GIGAAILSAGKSALKGLAKGLAEHFG 2436.366 celiac toxic Inhouse_peptide NA peptide +5430 So-D5 (defensin) MFFSSKKCKTVXKTFRGPCVRNAN 2442.3123 ACE inhibitor Inhouse_peptide NA peptide +5379 Brevinin-1EA FLPAIFRMAAKVVPTIICSITKKC 2443.4563 antioxidative Inhouse_peptide NA peptide +HMDB11953 Ganglioside GQ1c (d18:1/20:0) C109H187N5O55 2446.198975 NA HMDB2010 NA NA +3240 bombinin-like peptide BLP-4 GIGAAILSAGKSIIKGLANGLAEHEG 2446.3359 celiac toxic Inhouse_peptide NA peptide +HMDB11938 Ganglioside GQ1c (d18:0/20:0) C109H189N5O55 2448.2146 NA HMDB2010 NA NA +MetaCyc04460 oligosaccharide phosphate [(glucosyl)3-(mannosyl)9-(N-acetylglucosaminyl)2-phosphate;] C88H149N2O74P1 2448.769521 NA metacyc NA NA +3941 aurein 5,2 GLMSSIGKALGGLIVDLVKPKTPAS 2451.3943 neuropeptide Inhouse_peptide NA peptide +5475 aurein 5,2 GLMSSIGKALGGLIVDVLKPKTPAS 2451.3943 ACE inhibitor Inhouse_peptide NA peptide +2956 maiganin related peptide PGQ GVLSNVIGYLKKLGTGALNAVLKQ 2455.4338 celiac toxic Inhouse_peptide NA peptide +2961 maiganin 2 from Xenopus laevis GIGKFLHSAKKFGKAFVGEIMNS 2465.3052 celiac toxic Inhouse_peptide NA peptide +7054 Magainin 2, African clawed frog GIGKFLHSAKKFGKAFVGEIMNS 2465.3053 antioxidative Inhouse_peptide NA peptide +5409 So-D3 (defensin) GIFSSRKCKTVSKTFRGICTRNANC 2467.3586 ACE inhibitor Inhouse_peptide NA peptide +7770 Thanatin GSKKPVPIIYCNRRTGKCQRM 2468.2503 antioxidative Inhouse_peptide NA peptide +3225 brevinin-1E from skin of European frog rana escule FLPLLAGLAANFLPKIFCKITRKC 2470.501 celiac toxic Inhouse_peptide NA peptide +HMDB11955 Ganglioside GQ1c (d18:1/22:1(13Z)) C111H189N5O55 2472.2146 NA HMDB2010 NA NA +HMDB11940 Ganglioside GQ1c (d18:0/22:1(13Z)) C111H191N5O55 2474.230225 NA HMDB2010 NA NA +HMDB11954 Ganglioside GQ1c (d18:1/22:0) C111H191N5O55 2474.230225 NA HMDB2010 NA NA +7782 peptide from: influenza virus* GLFEAEGFIENGWEGMIDGWYG 2476.0502 antioxidative Inhouse_peptide NA peptide +HMDB11939 Ganglioside GQ1c (d18:0/22:0) C111H193N5O55 2476.24585 NA HMDB2010 NA NA +5505 Penaeidin-2 YRGGYTGPIPRPPPIGRPPFRPVCNACYRLSVSDARNCCIKFGSCCHLVKG 2479.83645 MH2+ Inhouse_peptide NA peptide +5351 Royalisin VTCDLLSFKGQVNDSACAANCLSLGKAGGHCEKVGCICRKTSFKDLWDKRFG 2480.30225 MH2+ Inhouse_peptide NA peptide +HMDB12121 (Mannosyl)5-(N-acetylglucosaminyl)2-diphosphodolichol C126H210N2O42P2 2485.383301 NA HMDB2010 NA NA +MetaCyc04461 (mannosyl)5-(N-acetylglucosaminyl)2-diphosphodolichol [{α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;] C126H210N2O42P2 2485.383342 NA metacyc NA NA +5408 So-D2 (defensin) GIFSSRKCKTPSKTFKGICTRDSNCDTSCRYEGYPAGDCKGIRRRCMCSKPC 2487.78395 MH2+ Inhouse_peptide NA peptide +HMDB11956 Ganglioside GQ1c (d18:1/23:0) C112H193N5O55 2488.24585 NA HMDB2010 NA NA +HMDB11941 Ganglioside GQ1c (d18:0/23:0) C112H195N5O55 2490.261475 NA HMDB2010 NA NA +7064 coeliac toxic peptide QPQPFPQQSEQSQQPFQPQPF 2497.144 antioxidative Inhouse_peptide NA peptide +7440 coeliac toxic peptide QPQPFPQQSEQSQQPFQPQPF 2497.144 antioxidative Inhouse_peptide NA peptide +MetaCyc04462 L-Ara4N-modified KDO2-Lipid A [] C120H220N4O45P2 2499.452484 NA metacyc NA NA +HMDB11958 Ganglioside GQ1c (d18:1/24:1(15Z)) C113H193N5O55 2500.24585 NA HMDB2010 NA NA +5514 Misgurin RQRVEELSKFSKKGAAARRRK 2500.439 antioxidative Inhouse_peptide NA peptide +HMDB11943 Ganglioside GQ1c (d18:0/24:1(15Z)) C113H195N5O55 2502.261475 NA HMDB2010 NA NA +HMDB11957 Ganglioside GQ1c (d18:1/24:0) C113H195N5O55 2502.261475 NA HMDB2010 NA NA +HMDB11942 Ganglioside GQ1c (d18:0/24:0) C113H197N5O55 2504.2771 NA HMDB2010 NA NA +5405 brevinin-1EC FLPLLAGLAANFFPKIFCKITRKC 2504.4849 ACE inhibitor Inhouse_peptide NA peptide +3243 bombinin-like peptide BLP-1 GIGASILSAGKSALKGLAKGLAGHFAN~ 2507.4148 celiac toxic Inhouse_peptide NA peptide +7740 NA AGALGESGASLSIVNSLDVLRNRLLLEIARKKAKEGANRNRQILLSL 2513.43175 MH2+ Inhouse_peptide NA peptide +HMDB11959 Ganglioside GQ1c (d18:1/25:0) C114H197N5O55 2516.2771 NA HMDB2010 NA NA +5292 Ah-AMP1 LCNERPSQTWSGNCGNTAHCDKQCQDWEKASHGACHKRENHWKCFCYFNC 2517.65725 MH2+ Inhouse_peptide NA peptide +HMDB11944 Ganglioside GQ1c (d18:0/25:0) C114H199N5O55 2518.292969 NA HMDB2010 NA NA +HMDB11961 Ganglioside GQ1c (d18:1/26:1(17Z)) C115H197N5O55 2528.2771 NA HMDB2010 NA NA +HMDB11946 Ganglioside GQ1c (d18:0/26:1(17Z)) C115H199N5O55 2530.292969 NA HMDB2010 NA NA +HMDB11960 Ganglioside GQ1c (d18:1/26:0) C115H199N5O55 2530.292969 NA HMDB2010 NA NA +7783 N-terminal peptide (INF7) GLFEAIEGFIENGWEGMIWDYG 2532.1132 antioxidative Inhouse_peptide NA peptide +HMDB11945 Ganglioside GQ1c (d18:0/26:0) C115H201N5O55 2532.308594 NA HMDB2010 NA NA +C12008 Ramoplanin A2 C119H154ClN21O40 2552.035 NA KEGG NA NA +5534 Ah-AMP1 LCNERPSQTWSGNCGNTAAHCDKQCQDWEKASHGACCHKRENHWKCFCYFNC 2553.17555 MH2+ Inhouse_peptide NA peptide +3905 NA DGVKLCDVPSGTWSGHCGSSSKCSQQCKDREHFAYGGACHYQFPSVKCFCKRQC 2560.23635 MH2+ Inhouse_peptide NA peptide +5542 Hs-AFP1 DGVKLCDVPSGTWSGHCGSSSKCSQQCCKDREHFAYGGACHYQFPSVKCFCKRQC 2560.23635 MH2+ Inhouse_peptide NA peptide +3069 human endothelin I CSCSSLMDKECVYFCHLDIIW 2561.9982 celiac toxic Inhouse_peptide NA peptide +3244 bombinin-like peptide BLP-1 GIGASILSAGKSALKGLAKGLAGHFANG 2565.4199 celiac toxic Inhouse_peptide NA peptide +5550 Bactenecin 5 (from bovine neutrophils) RFRPPIRRPPIRPPFYPPFRPPIRPPIFPPIRPPFRPPLGPFP 2572.4724 MH2+ Inhouse_peptide NA peptide +5551 Bactenecin 5 (from goat neutrophils) RFRPPIRRPPIRPPFNPPFRPPVRPPFRPPFRPPFRPPIGPFP 2579.45485 MH2+ Inhouse_peptide NA peptide +3966 NA VYQHQKAMKPWIQPKTKVIPY 2582.3975 ACE inhibitor Inhouse_peptide NA peptide +3222 caerin 1,1, from Litoria genimaculata GLLSVLGSVAKHVLPHVVPVIAEHL~ 2582.522 celiac toxic Inhouse_peptide NA peptide +8343 fragment 1-42 of bovine lactoferrin APRKNVRWCTISQPEWFKCRRWQWRMKKLGAPSITCVRRAFA 2598.82365 MH2+ Inhouse_peptide NA peptide +2567 regulating cell-permeability peptide NYKKPKLAAAPALLALLVAPLLAVAA 2599.6009 antibacterial Inhouse_peptide NA peptide +2568 regulating cell-permeability peptide AAVALLPAVLLALLAPAAANYKKPKL 2599.6009 antibacterial Inhouse_peptide NA peptide +2569 regulating cell-permeability peptide NYKKPKLAAAAAVALLPAVLLALLAP 2599.6009 antibacterial Inhouse_peptide NA peptide +2960 maiganin related peptide CPG GFGSFLGKALKAALKIGANALGGSPQQ 2600.4238 celiac toxic Inhouse_peptide NA peptide +2959 maiganin related peptide LPF GWASKIGQTLGKIAKVGLQGLMQPK 2608.4673 celiac toxic Inhouse_peptide NA peptide +3995 NA TKCFQWQRNMRKVRGPPVSCIKR 2611.4563 antifungal Inhouse_peptide NA peptide +3068 human endothelin II CSCSSWLDKECVYFCHLDIIW 2617.0368 celiac toxic Inhouse_peptide NA peptide +3221 caerin 1,1, from Litoria genimaculata GLLSVLGSVAKHVLPHVVPVIAEHLG 2640.5271 celiac toxic Inhouse_peptide NA peptide +MetaCyc04463 (mannosyl)6-(N-acetylglucosaminyl)2-diphosphodolichol [{α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->3)-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;] C132H220N2O47P2 2647.436165 NA metacyc NA NA +HMDB12122 (Mannosyl)6-(N-acetylglucosaminyl)2-diphosphodolichol C132H220N2O47P2 2647.436279 NA HMDB2010 NA NA +2758 rat NP-3 defensin CSCRTSSCRFGERLSGACRLNGRIYRLCC 2651.4329 NA Inhouse_peptide NA peptide +2955 maiganin related peptide XPF GWASKIGQTLGKIAKVGLKELIQPK 2662.5679 celiac toxic Inhouse_peptide NA peptide +5488 clavanin A VFQFLGKIIHHVGNFVHGFSHVF 2665.3857 opioid Inhouse_peptide NA peptide +5510 clavanin C VFHLLGKIIHHVGNFVYGFSHVF 2666.407 ACE inhibitor Inhouse_peptide NA peptide +5521 Androctonin RSVCRQIKICRRRGGCYYKCTNRPY 2666.4929 antioxidative Inhouse_peptide NA peptide +3609 NA GLLRRLRDFLKKIGEKFKKIGY~ 2676.6238 ACE inhibitor Inhouse_peptide NA peptide +5489 clavanin B VFQFLGRIIHHVGNFVHGFSHVF 2693.3928 opioid Inhouse_peptide NA peptide +7758 Pleurocidin from Pleuronectes americanus GWGSFFKKAAHVGKHVGKAALTHYL~ 2708.459 antioxidative Inhouse_peptide NA peptide +7761 Pleurocidin from Pleuronectes americanus GWGSFFKKAAHVGKHVGKAALTHYL~ 2708.459 antioxidative Inhouse_peptide NA peptide +3067 human endothelin III CTCFTYKDKECVYYCHLDIIW 2713.0918 celiac toxic Inhouse_peptide NA peptide +5511 clavanin D AFKLLGRIIHHVGNFVYGFSHVFG 2714.4399 antioxidative Inhouse_peptide NA peptide +2757 rat NP-4 defensin ACYCRIGACVSGERLTGACGLNGRIYRLCCR 2718.499 NA Inhouse_peptide NA peptide +5390 dermaseptin B6 ALWKDILKNAGKAALNEINQLVNQG 2720.4795 ACE inhibitor Inhouse_peptide NA peptide +2963 maculatin 3,1, from Litoria genimaculata GLLQTIKEKLESLESLAKGIVSGIQA~ 2723.5601 celiac toxic Inhouse_peptide NA peptide +8259 f(164-207) of bovine alpha s2-casein LKKISQRYQKFALPQYLKTVYQHQKAMKPWIQPKTKVIPYVRYL 2724.0312 MH2+ Inhouse_peptide NA peptide +8339 Cr5/Cr6 LKKISQRYQKFALPQYLKTVYQHQKAMKPWIQPKTKVIPYVRYL 2724.0312 MH2+ Inhouse_peptide NA peptide +5297 NA RVCMGKSAGFKGLCMRDQNCAQVCLQEGWGGGNCDGVMRQCKCIRQCW 2724.1174 MH2+ Inhouse_peptide NA peptide +3759 NA GLLRRLRDFLKKIGEKFKKIGYG 2734.6289 ACE inhibitor Inhouse_peptide NA peptide +3249 bombinin GIFFALLSAAKVGLKGLAKGLAEHFAN 2742.5388 celiac toxic Inhouse_peptide NA peptide +7766 Pleurocidin analogue from Pleuronectes americanus SWSSFFKKAAHSGKHVGKSASTHYL~ 2746.388 anticancer Inhouse_peptide NA peptide +7769 Pleurocidin analogue from Pleuronectes americanus SWSSFFKKAAHSGKHVGKSASTHYL~ 2746.388 antioxidative Inhouse_peptide NA peptide +2702 seminal-plasmin from bovine seminal fluid SDEKASPDKHHRFSLSRYAKLANRLANPKLLETFLSSKWIGDRGNRSV 2747.44165 MH2+ Inhouse_peptide NA peptide +3072 human defensin HNP-2 CYCRIPACIAGERRYGTCIYQGRLWAFCC 2756.449 celiac toxic Inhouse_peptide NA peptide +5374 dermaseptin B5 GLWNKIKEAASKAAGKAALGFVNEMVG 2759.4592 membrane -active peptide Inhouse_peptide NA peptide +3035 isracidin RPKHPIKHQGLPQEVLNENLLRF 2762.5248 ACE inhibitor Inhouse_peptide NA peptide +8171 isracidin - peptide derived from aS1-casein (1-23) RPKHPIKHQGLPQEVLNENLLRF 2762.5248 antibacterial Inhouse_peptide NA peptide +7759 Pleurocidin from Pleuronectes americanus GWGSFFKKAAHVGKHVGKAALTHYLG 2766.464 antioxidative Inhouse_peptide NA peptide +7760 Pleurocidin from Pleuronectes americanus GWGSFFKKAAHVGKHVGKAALTHYLG 2766.464 antioxidative Inhouse_peptide NA peptide +5414 dermaseptin 4 ALWMTLLKKVLKAAAKALNAVLVGANA 2777.6531 ACE inhibitor Inhouse_peptide NA peptide +2964 maculatin 3,1, from Litoria genimaculata GLLQTIKEKLESLESLAKGIVSGIQAG 2781.5649 celiac toxic Inhouse_peptide NA peptide +5384 Brevinin-2ED GILDSLKNLAKNAGQILLNKASCKLSGQC 2793.5896 antioxidative Inhouse_peptide NA peptide +3439 NA KWKLFKKIGIGAVLKVLTTGLPALIS 2793.74 ACE inhibitor Inhouse_peptide NA peptide +3055 phosphopeptide b-casein fragment 1-25 RELEELNVPGEIVESLSSSEESITR 2801.375 celiac toxic Inhouse_peptide NA peptide +7780 peptide from Rhinovirus-2, VP-protein NPVENYIDEVLNEVLVVPNINSSNC 2803.3173 antioxidative Inhouse_peptide NA peptide +7767 Pleurocidin analogue from Pleuronectes americanus SWSSFFKKAAHSGKHVGKSASTHYLG 2804.393 antioxidative Inhouse_peptide NA peptide +7768 Pleurocidin analogue from Pleuronectes americanus SWSSFFKKAAHSGKHVGKSASTHYLG 2804.393 antioxidative Inhouse_peptide NA peptide +7788 de novo designed peptide GALFLGFLGAAGSTMGAWSQPKKKRKV 2805.5264 antioxidative Inhouse_peptide NA peptide +MetaCyc04464 (mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol [{α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;] C138H230N2O52P2 2809.488989 NA metacyc NA NA +HMDB12123 (Mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol C138H230N2O52P2 2809.489014 NA HMDB2010 NA NA +3945 mytilin A from Mytilum edulis GCASRCKAKCAGRRCJGWASASFRGRCYCKCFRC 2826.531 neuropeptide Inhouse_peptide NA peptide +3073 human defensin HNP-1 ACYCRIPACIAGERRYGTCIYQGRLWAFCC 2827.4861 celiac toxic Inhouse_peptide NA peptide +5415 dermaseptin 5 GLWSKIKTAGKSVAKAAAKAAVKAVTNAV 2838.6589 ACE inhibitor Inhouse_peptide NA peptide +7790 de novo designed peptide from transportan GWTLNSAGYLLGKINLKALAALAKKIL 2839.6868 antioxidative Inhouse_peptide NA peptide +5437 lycotoxin 1 IWLTALKFLGKHAAKHLAKQQLSKL 2842.6851 ACE inhibitor Inhouse_peptide NA peptide +2948 mellitin from venom of honey bee(Apis mellifera) GIGAVLKVLTTGLPALISWIKRKRQQ~ 2844.7339 celiac toxic Inhouse_peptide NA peptide +2949 mellitin from venom of honey bee(Apis mellifera) GIGAVLKVLTTGLPALISWIKRKRQQ~ 2844.7339 celiac toxic Inhouse_peptide NA peptide +C11198 Melitten C131H229N39O31 2844.7542 NA KEGG NA NA +7785 peptide from honey bee venom GIGAVLKVLTTGLPALISWIKRKRQQ 2845.718 antioxidative Inhouse_peptide NA peptide +5485 ceratotoxin B SIGSAFKKALPVAKKIGKAALPIAKAALP 2858.762 opioid Inhouse_peptide NA peptide +5400 brevinin-2EE GIFDKLKNFAKGVAQSLLNKASCKLSGQC 2861.5928 ACE inhibitor Inhouse_peptide NA peptide +5509 ceratotoxin A SIGSALKKALPVAKKIGKIALPIAKAALP 2866.825 ACE inhibitor Inhouse_peptide NA peptide +3071 human defensin HNP-3 DCYCRIPACIAGERRYGTCIYQGRLWAFCC 2871.4758 celiac toxic Inhouse_peptide NA peptide +2950 mellitin from venom of honey bee(Apis mellifera) GIGAVLKVLTTGLPALISWIKRKRQQG 2902.739 celiac toxic Inhouse_peptide NA peptide +8162 antimicrobial peptide derived from b-casein (184-210) QELLLNPTHQYPVTQPLAPVHNPISV 2904.5278 antibacterial Inhouse_peptide NA peptide +3441 NA KWKKFIKELQKVLAPGGLLSNIVTSL 2909.7258 ACE inhibitor Inhouse_peptide NA peptide +3438 NA KWKSFIKNLEKVLKPGGLLSNIVTSL 2911.7058 ACE inhibitor Inhouse_peptide NA peptide +3442 NA KWKEFIKKLTTAVKKVLTTGLPALIS 2912.76 ACE inhibitor Inhouse_peptide NA peptide +3229 bovine lactoferricin B (LF-B) FKCRRWQWRMKKLGAPSITCVRRAF 2917.6414 celiac toxic Inhouse_peptide NA peptide +7051 Lactoferricin B, bovine (Bos taurus) FKCRRWQWRMKKLGAPSITCVRRAF 2917.6414 antioxidative Inhouse_peptide NA peptide +3640 NA LGQQQPFPPQQPYPQPQPFPSQQPY 2921.3889 ACE inhibitor Inhouse_peptide NA peptide +7468 coeliac toxic peptide LGQQQPFPPQQPYPQPQPFPSQQPY 2921.389 antioxidative Inhouse_peptide NA peptide +2762 rabbit NP-5 defesin VFCTCRGFLCGSGERASGSCTINGVRHTLCCRR 2930.5508 NA Inhouse_peptide NA peptide +3112 adrenocorticotropin hormone fr,: 1-24 SYSMEHFRWGKPVGKKRRPVKVYP 2931.5583 celiac toxic Inhouse_peptide NA peptide +C06926 Cosyntropin C136H210N40O31S 2931.5806 NA KEGG NA NA +C06927 Transferred to D00285 C136H210N40O31S 2931.5806 NA KEGG NA NA +3900 mellitin-like peptide FIGASALKVLAGVLPSVISWVKLGRILQ~ 2933.7759 neuropeptide Inhouse_peptide NA peptide +5291 mellitin-like peptide FIGASALKVLAGVLPSVISWVKLGRILQG 2933.7759 antibacterial Inhouse_peptide NA peptide +2701 somatostatin 28 SANSNPAMAPRERKAGCKNFFWKTFTSC 2942.4412 antibacterial Inhouse_peptide NA peptide +5352 Cysteine-rich antifungal protein 2 [Fragment] QKLCERPSGTXSGVCGNNNACKNQCIR 2960.3026 membrane -active peptide Inhouse_peptide NA peptide +5372 dermaseptin B3 ALWKNMLKGIGKLAGQAALGAVKTLVGAEG 2964.6733 membrane -active peptide Inhouse_peptide NA peptide +3440 NA KWKSFIKNLEKVLKKGPILANLVSIV 2964.8047 ACE inhibitor Inhouse_peptide NA peptide +HMDB12124 (Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol C144H240N2O57P2 2971.541748 NA HMDB2010 NA NA +MetaCyc04465 (mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol [{α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1,6)]-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;] C144H240N2O57P2 2971.541812 NA metacyc NA NA +5529 Penaeidin-3C QVYKGGYTRPIPRPPFVRPVPGGPIGPYNGCPVSCRGISFSQARSCCSRLGRCCHVGKGYSG 2981.57545 MH2+ Inhouse_peptide NA peptide +2763 rabbit NP-4 defensin VSCTCRRFSCGFGERASGSCTVNGVRHTLCCRR 2989.563 NA Inhouse_peptide NA peptide +3947 mytilin C from Mytilum edulis SCASRCKSRCRARRCRYYVSVRYGGFCYCRC 2996.6021 neuropeptide Inhouse_peptide NA peptide
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/lib/bih.pm Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,1052 @@ +package lib::bih ; + +use strict; +use warnings ; +use Exporter ; +use Carp ; +use Math::BigFloat; + +use LWP::Simple; +use LWP::UserAgent; +use URI::URL; +use SOAP::Lite; +use Encode; +use HTML::Template ; +#use Net::SSL ; +use Data::Dumper ; +#use REST::Client; +use JSON; + +use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS); + +our $VERSION = "1.0"; +our @ISA = qw(Exporter); +our @EXPORT = qw( db_pforest_get_clean_range map_pfjson_bankobject prepare_multi_masses_query ); +our %EXPORT_TAGS = ( ALL => [qw( db_pforest_get_clean_range map_pfjson_bankobject prepare_multi_masses_query )] ); + +=head1 NAME + +My::Module - An example module + +=head1 SYNOPSIS + + use My::Module; + my $object = My::Module->new(); + print $object->as_string; + +=head1 DESCRIPTION + +This module does not really exist, it +was made for the sole purpose of +demonstrating how POD works. + +=head1 METHODS + +Methods are : + +=head2 METHOD new + + ## Description : new + ## Input : $self + ## Ouput : bless $self ; + ## Usage : new() ; + +=cut + +sub new { + ## Variables + my $self={}; + bless($self) ; + return $self ; +} +### END of SUB + +=head2 METHOD check_interval + + ## Description : checks that the value is in the interval + ## Input : $value, $min, $max + ## Output : $message + ## Usage : $message= check_interval($value, $min, $max) ; + +=cut +## START of SUB +sub check_interval { + ## Retrieve Values + my $self = shift ; + my ( $value, $min, $max ) = @_ ; + + my ( $message ) = undef ; + if ( $min !~ m/^-?\d+\.?\d*$/ ) { + $message="the minimum '".$min."' isn't a valid number!"; + } + elsif ( $max !~ m/^-?\d+\.?\d*$/ ) { + $message="the maximum '".$max."' isn't a valid number!"; + } + elsif ( $value !~ m/^-?\d+\.?\d*$/ ) { + $message="'".$value."' isn't a valid number!"; + } + elsif ( $value < $min ) { + $message="'".$value."' is below the minimum!"; + } + elsif ( $value > $max ) { + $message="'".$value."' is greater than the maximum!"; + } + else { + $message="OK" ; + } + return($message) ; +} +## END of SUB + +=head2 METHOD format_manual_list_values + + ## Description : extract a list of values and built identifiers + ## Input : $value, $sep + ## Output : \@values, \@ids + ## Usage : ($masses, $ids)= format_manual_list_values($mass, $sep) ; + +=cut +## START of SUB +sub format_manual_list_values { + ## Retrieve Values + my $self = shift ; + my ( $value, $sep ) = @_ ; + + my ( @values, @ids ) = ( (), () ) ; + + if ( ( defined $value ) and ( $value ne "" ) and ( defined $sep ) ) { + @values = split($sep, $value); + my $nb = 1+int(log($#values+1)/log(10)); + my $sf = '%0'.$nb.'s'; + for (my $i=1 ; $i<=$#values+1 ; $i++){ + my $id = sprintf($sf, $i) ; + push (@ids,"value_".$id ); + } + } + else { + croak "No value list found \n" ; + } + return(\@values, \@ids) ; +} +## END of SUB + +=head2 METHOD parse_bank_interest + + ## Description : parse csv object and return a two-dimensional array in a hash by grouping information according to the interest value as key. + ## Input : $csv, \$file, $col_interest + ## Output : \%bank_interest, \$head + ## Usage : my ( $bank_interest, $head ) = parse_bank_interest ( $csv, $file, $col_interest ) ; + +=cut +## START of SUB +sub parse_bank_interest { + ## Retrieve Values + my $self = shift ; + my ( $csv, $file, $col_interest ) = @_ ; + + my $bank_interest = () ; + my $oBih = new() ; + + open my $fh, "<:encoding(utf8)", $$file or die "Can't open csv file $$file: $!"; + + my $head = $csv->getline( $fh ); + my $nb_line = 1 ; ## for error messages + + while ( my $row = $csv->getline( $fh ) ) { + $nb_line++ ; + if ($#$head != $#$row) { croak "Not the same number of columns over the file of the interest bank! See the line: $nb_line in your input bank file!\n" ; } + ## it would be more general to do the following masse check out this function + my ($MZmessage) = $oBih->check_interval($$row[$col_interest], 0, 10000) ; + if ($MZmessage ne 'OK') { $col_interest++; croak "There is at least one row (See the line : $nb_line) where in the column $col_interest : $MZmessage\n" ; } #/!\ col_interest++ to print to user a not-table (@) value. + + push (@{$bank_interest->{$$row[$col_interest]}}, $row ) ; + } +# print Dumper $bank_interest; exit; + $csv->eof or $csv->error_diag(); + close $fh; + return($bank_interest, $head) ; +} +## END of SUB + +=head2 METHOD mz_delta_conversion + + ## Description : returns the minimum and maximum mass according to the delta + ## Input : \$mass, \$delta_type, \$mz_delta + ## Output : \$min, \$max + ## Usage : ($min, $max)= mz_delta_conversion($mass, $delta_type, $mz_delta) ; + +=cut +## START of SUB +sub mz_delta_conversion { + ## Retrieve Values + my $self = shift ; + my ( $mass, $delta_type, $mz_delta ) = @_ ; + my ( $min, $max ) = ( undef, undef ) ; + + if ($$delta_type eq 'ppm'){ + $min = $$mass - ($$mz_delta * 10**-6 * $$mass); + $max = $$mass + ($$mz_delta * 10**-6 * $$mass) + 0.0000000001; ## it's to included the maximum value in the search + } + elsif ($$delta_type eq 'Da'){ + $min = $$mass - $$mz_delta; + $max = $$mass + $$mz_delta + 0.0000000001; ## it's to included the maximum value in the search + } + else { croak "The masses delta type '$$delta_type' isn't a valid type !\n" ; } + + return(\$min, \$max) ; +} +## END of SUB + +=head2 METHOD dichotomi_search + + ## Description : returns the index of the position or the interval value + ## does not work if there are duplicates in the table + ## Input : \@tab, \$search + ## Output : \$index + ## Usage : ($index)= dichotomi_search($mass, $sep) ; + +=cut +## START of SUB +sub dichotomi_search { + ## Retrieve Values + my $self = shift ; + my ( $tab, $search ) = @_ ; + my ($sup, $inf, $demi) = (scalar(@{$tab})-1, 0, 0); + + while(1) { + $demi = int(($sup + $inf)/2); + if($sup < $inf) { + if($inf==0){ $demi=-1; } elsif($sup==scalar(@{$tab})-1){ $demi=scalar(@{$tab}); } ## to distinguish items off limits + last; + } + elsif ( ($$search == $$tab[$demi]) ) { last; } + elsif ( ($$search > $$tab[$demi-1]) && ($$search < @$tab[$demi]) ) { last; } + elsif($$search < $$tab[$demi]) { $sup = $demi - 1; next; } + else { $inf = $demi + 1; next; } + } + + return(\$demi) ; +} +## END of SUB + +=head2 METHOD extract_sub_mz_lists + + ## Description : extract a couples of sublist from a long mz list (more than $HMDB_LIMITS) + ## Input : $HMDB_LIMITS, $masses + ## Output : $sublists + ## Usage : my ( $sublists ) = extract_sub_mz_lists( $HMDB_LIMITS, $masses ) ; + +=cut +## START of SUB +sub extract_sub_mz_lists { + ## Retrieve Values + my $self = shift ; + my ( $masses, $HMDB_LIMITS ) = @_ ; + + my ( @sublists, @sublist ) = ( (), () ) ; + my $nb_mz = 0 ; + my $nb_total_mzs = scalar(@{$masses}) ; + + for ( my $current_pos = 0 ; $current_pos < $nb_total_mzs ; $current_pos++ ) { + + if ( $nb_mz < $HMDB_LIMITS ) { + if ( $masses->[$current_pos] ) { push (@sublist, $masses->[$current_pos]) ; $nb_mz++ ; } # build sub list + } + elsif ( $nb_mz == $HMDB_LIMITS ) { + my @tmp = @sublist ; push (@sublists, \@tmp) ; @sublist = () ; $nb_mz = 0 ; + $current_pos-- ; + } + if ($current_pos == $nb_total_mzs-1) { my @tmp = @sublist ; push (@sublists, \@tmp) ; } + } + return(\@sublists) ; +} +## END of SUB + +=head2 METHOD prepare_multi_masses_query + + ## Description : permet de generer une liste de masses au format d'interrogation de hmdb + ## Input : $masses + ## Output : $hmdb_masses + ## Usage : my ( $hmdb_masses ) = prepare_multi_masses_query( $masses ) ; + +=cut +## START of SUB +sub prepare_multi_masses_query { + ## Retrieve Values + my $self = shift ; + my ( $masses ) = @_ ; + + my $hmdb_masses = undef ; + my $sep = '%0D%0A' ; ## retour chariot encode + my ($nb_masses, $i) = (0, 0) ; + + if ( defined $masses ) { + my @masses = @{$masses} ; + my $nb_masses = scalar ( @masses ) ; + if ( $nb_masses == 0 ) { croak "Your mass list is empty \n" ; } + elsif ( $nb_masses >= 150 ) { croak "Your mass list is too long : HMDB allows maximum 150 query masses per request \n" ; } ## Del it --- temporary patch + + foreach my $mass (@masses) { + + if ($i < $nb_masses) { + $hmdb_masses .= $mass.$sep ; + } + elsif ( $i == $nb_masses ) { + $hmdb_masses .= $mass ; + } + else { + last ; + } + $i ++ ; + } + } + else { + croak "No mass list found \n" ; + } + return($hmdb_masses, $nb_masses) ; +} +## END of SUB + +=head2 METHOD get_matches_from_hmdb + + ## Description : permet de requeter sur hmdb avec une masse, un delta de masse sur la banque de metabolites hmdb + ## Input : $mass, $delta, $mode + ## Output : $results + ## Usage : my ( $results ) = get_matches_from_hmdb( $mass, $delta, $mode ) ; + +=cut +## START of SUB +sub get_matches_from_hmdb { + ## Retrieve Values + my $self = shift ; + my ( $mass, $delta, $mode ) = @_ ; + + my @pages = () ; + my $page = undef ; + + if ( (defined $mass) and (defined $delta) and (defined $mode) ) { + my $url = 'http://www.hmdb.ca/spectra/spectra/ms/search?utf8=TRUE&query_masses='.$mass.'&tolerance='.$delta.'&mode='.$mode.'&commit=Search' ; + +# print $url."\n" ; + + my $oUrl = url($url); + $page = get($oUrl); +# print $page."\n" ; + + ## manage output + if ( ( !defined $page ) or ( $page eq "" ) ) { die "Problem to connect to HMDB, page empty or undefined.\n" ; } + else { @pages = split(/\n/, $page); } + } + return(\@pages) ; +} +## END of SUB + +=head2 METHOD get_matches_from_hmdb_ua + + ## Description : permet de requeter via un user agent sur hmdb avec une masse, un delta de masse sur la banque de metabolites hmdb + ## Input : $mass, $delta, $mode + ## Output : $results + ## Usage : my ( $results ) = get_matches_from_hmdb( $mass, $delta, $mode ) ; + +=cut +## START of SUB +sub get_matches_from_hmdb_ua { + ## Retrieve Values + my $self = shift ; + my ( $masses, $delta, $mode ) = @_ ; + + my @page = () ; + + my $ua = new LWP::UserAgent; + $ua->agent("Mozilla/5.0 (Windows NT 6.1) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/34.0.1847.131 Safari/537.36"); + + my $req = HTTP::Request->new( + POST => 'http://specdb.wishartlab.com/ms/search.csv'); + + $req->content_type('application/x-www-form-urlencoded'); + $req->content('utf8=TRUE&mode='.$mode.'&query_masses='.$masses.'&tolerance='.$delta.'&database=HMDB&commit=Download Results As CSV'); + + my $res = $ua->request($req); +# print $res->as_string; + @page = split ( /\n/, $res->decoded_content ) ; + + return (\@page) ; +} +## END of SUB + + + +=head2 METHOD parse_hmdb_csv_results + + ## Description : parse the csv results and get data + ## Input : $csv + ## Output : $results + ## Usage : my ( $results ) = parse_hmdb_csv_results( $csv ) ; + +=cut +## START of SUB +sub parse_hmdb_csv_results { + ## Retrieve Values + my $self = shift ; + my ( $csv, $masses ) = @_ ; + + my $test = 0 ; + my ($query_mass,$compound_id,$formula,$compound_mass,$adduct,$adduct_type,$adduct_mass,$delta) = (0, undef, undef, undef, undef, undef, undef, undef) ; + + my %result_by_entry = () ; + my %features = () ; + + foreach my $line (@{$csv}) { + + if ($line !~ /query_mass,compound_id,formula,compound_mass,adduct,adduct_type,adduct_mass,delta/) { + my @entry = split(/,/, $line) ; + + if ( !exists $result_by_entry{$entry[0]} ) { $result_by_entry{$entry[0]} = [] ; } + + $features{ENTRY_ENTRY_ID} = $entry[1] ; + $features{ENTRY_FORMULA} = $entry[2] ; + $features{ENTRY_CPD_MZ} = $entry[3] ; + $features{ENTRY_ADDUCT} = $entry[4] ; + $features{ENTRY_ADDUCT_TYPE} = $entry[5] ; + $features{ENTRY_ADDUCT_MZ} = $entry[6] ; + $features{ENTRY_DELTA} = $entry[7] ; + + my %temp = %features ; + + push (@{$result_by_entry{$entry[0]} }, \%temp) ; + } + else { + next ; + } + } ## end foreach + + ## manage per query_mzs (keep query masses order by array) + my @results = () ; + foreach (@{$masses}) { + if ($result_by_entry{$_}) { push (@results, $result_by_entry{$_}) ; } + else {push (@results, [] ) ;} ; + } + return(\@results) ; +} +## END of SUB + +=head2 METHOD parse_hmdb_page_results + + ## Description : permet de parser le contenu des resultats hmdb + ## Input : $page + ## Output : $results + ## Usage : my ( $results ) = parse_hmdb_page_result( $pages ) ; + +=cut +## START of SUB +sub parse_hmdb_page_results { + ## Retrieve Values + my $self = shift ; + my ( $page ) = @_ ; + + my @results = () ; + my ($catch_table, $catch_name) = (0, 0) ; + my ($name, $adduct, $adduct_mw, $cpd_mw, $delta) = (undef, undef, undef, undef, undef) ; + + if ( defined $page ) { + + my @page = @{$page} ; + my $ID = undef ; + my @result_by_mz = () ; + my %result_by_entry = () ; + + foreach my $line (@page) { + + #Section de la page contenant les resultat + if( $line =~/<table>/ ) { $catch_table = 1 ; } + + ## Si il existe un resultat : + if($catch_table == 1) { + + #Id de la molecule, et creation du lien + if( $line =~ /<a href=\"\/metabolites\/(\w+)\" (.*)>/ ) { + $ID = $1 ; + $catch_name = 0 ; + next ; + } + #Nom de la molecule ONLY!! + if ( $catch_name == 0 ) { + + if( $line =~ /<td>(.+)<\/td>/ ) { + + if ( !defined $name ) { + $name = $1 ; + $result_by_entry{'ENTRY_ENTRY_ID'} = $ID ; + $result_by_entry{'ENTRY_NAME'} = $name ; + next ; + } + if ( !defined $adduct ) { $adduct = $1 ; $result_by_entry{'ENTRY_ADDUCT'} = $adduct ; next ; } + if ( !defined $adduct_mw ) { $adduct_mw = $1 ; $result_by_entry{'ENTRY_ADDUCT_MZ'} = $adduct_mw ; next ; } + if ( !defined $cpd_mw ) { $cpd_mw = $1 ; $result_by_entry{'ENTRY_CPD_MZ'} = $cpd_mw ; next ; } + if ( !defined $delta ) { + $delta = $1 ; + $result_by_entry{'ENTRY_DELTA'} = $delta ; + $catch_name = 1 ; + my %tmp = %result_by_entry ; + push (@result_by_mz, \%tmp) ; + %result_by_entry = () ; + ( $name, $cpd_mw, $delta, $adduct, $adduct_mw ) = ( undef, undef, undef, undef, undef ) ; + next ; + } + } + } + } + #Fin de la section contenant les resultats + if( $line =~ /<\/table>/ ) { + $catch_table = 0 ; + my @Tmp = @result_by_mz ; + push(@results, \@Tmp) ; + @result_by_mz = () ; + } + } + } + return(\@results) ; +} +## END of SUB + +=head2 METHOD set_html_tbody_object + + ## Description : initializes and build the tbody object (perl array) need to html template + ## Input : $nb_pages, $nb_items_per_page + ## Output : $tbody_object + ## Usage : my ( $tbody_object ) = set_html_tbody_object($nb_pages, $nb_items_per_page) ; + +=cut +## START of SUB +sub set_html_tbody_object { + my $self = shift ; + my ( $nb_pages, $nb_items_per_page ) = @_ ; + + my ( @tbody_object ) = ( ) ; + + for ( my $i = 1 ; $i <= $nb_pages ; $i++ ) { + + my %pages = ( + # tbody feature + PAGE_NB => $i, + MASSES => [], ## end MASSES + ) ; ## end TBODY N + push (@tbody_object, \%pages) ; + } + return(\@tbody_object) ; +} +## END of SUB + +=head2 METHOD add_mz_to_tbody_object + + ## Description : initializes and build the mz object (perl array) need to html template + ## Input : $tbody_object, $nb_items_per_page, $mz_list + ## Output : $tbody_object + ## Usage : my ( $tbody_object ) = add_mz_to_tbody_object( $tbody_object, $nb_items_per_page, $mz_list ) ; + +=cut +## START of SUB +sub add_mz_to_tbody_object { + my $self = shift ; + my ( $tbody_object, $nb_items_per_page, $mz_list, $ids_list ) = @_ ; + + my ( $current_page, $mz_index ) = ( 0, 0 ) ; + + foreach my $page ( @{$tbody_object} ) { + + my @colors = ('white', 'green') ; + my ( $current_index, , $icolor ) = ( 0, 0 ) ; + + for ( my $i = 1 ; $i <= $nb_items_per_page ; $i++ ) { + # + if ( $current_index > $nb_items_per_page ) { ## manage exact mz per html page + $current_index = 0 ; + last ; ## + } + else { + $current_index++ ; + if ( $icolor > 1 ) { $icolor = 0 ; } + + if ( exists $mz_list->[$mz_index] ) { + + my %mz = ( + # mass feature + MASSES_ID_QUERY => $ids_list->[$mz_index], + MASSES_MZ_QUERY => $mz_list->[$mz_index], + MZ_COLOR => $colors[$icolor], + MASSES_NB => $mz_index+1, + ENTRIES => [] , + ) ; + push ( @{ $tbody_object->[$current_page]{MASSES} }, \%mz ) ; + # Html attr for mass + $icolor++ ; + } + } + $mz_index++ ; + } ## foreach mz + + $current_page++ ; + } + return($tbody_object) ; +} +## END of SUB + +=head2 METHOD add_entries_to_tbody_object + + ## Description : initializes and build the mz object (perl array) need to html template + ## Input : $tbody_object, $nb_items_per_page, $mz_list, $entries + ## Output : $tbody_object + ## Usage : my ( $tbody_object ) = add_entries_to_tbody_object( $tbody_object, $nb_items_per_page, $mz_list, $entries ) ; + +=cut +## START of SUB +sub add_entries_to_tbody_object { + ## Retrieve Values + my $self = shift ; + my ( $tbody_object, $nb_items_per_page, $mz_list, $entries ) = @_ ; + + my $index_page = 0 ; + my $index_mz_continous = 0 ; + + foreach my $page (@{$tbody_object}) { + + my $index_mz = 0 ; + + foreach my $mz (@{ $tbody_object->[$index_page]{MASSES} }) { + + my $index_entry = 0 ; + + my @anti_redondant = ('N/A') ; + my $check_rebond = 0 ; + + foreach my $entry (@{ $entries->[$index_mz_continous] }) { + + ## dispo anti doublons des entries + foreach my $rebond (@anti_redondant) { + if ( $rebond eq $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_ID} ) { $check_rebond = 1 ; last ; } + } + + if ( $check_rebond == 0 ) { + + push ( @anti_redondant, $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_ID} ) ; + + my %entry = ( + ENTRY_COLOR => $tbody_object->[$index_page]{MASSES}[$index_mz]{MZ_COLOR}, + ENTRY_ENTRY_ID => $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_ID}, + ENTRY_ENTRY_ID2 => $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_ID}, + ENTRY_FORMULA => $entries->[$index_mz_continous][$index_entry]{ENTRY_FORMULA}, + ENTRY_CPD_MZ => $entries->[$index_mz_continous][$index_entry]{ENTRY_CPD_MZ}, + ENTRY_ADDUCT => $entries->[$index_mz_continous][$index_entry]{ENTRY_ADDUCT}, + ENTRY_ADDUCT_TYPE => $entries->[$index_mz_continous][$index_entry]{ENTRY_ADDUCT_TYPE}, + ENTRY_ADDUCT_MZ => $entries->[$index_mz_continous][$index_entry]{ENTRY_ADDUCT_MZ}, + ENTRY_DELTA => $entries->[$index_mz_continous][$index_entry]{ENTRY_DELTA}, + ) ; + + push ( @{ $tbody_object->[$index_page]{MASSES}[$index_mz]{ENTRIES} }, \%entry) ; + } + $check_rebond = 0 ; ## reinit double control + $index_entry++ ; + } + $index_mz ++ ; + $index_mz_continous ++ ; + } + $index_page++ ; + } + return($tbody_object) ; +} +## END of SUB + +=head2 METHOD write_html_skel + + ## Description : prepare and write the html output file + ## Input : $html_file_name, $html_object, $html_template + ## Output : $html_file_name + ## Usage : my ( $html_file_name ) = write_html_skel( $html_file_name, $html_object ) ; + +=cut +## START of SUB +sub write_html_skel { + ## Retrieve Values + my $self = shift ; + my ( $html_file_name, $html_object, $pages , $search_condition, $html_template, $js_path, $css_path ) = @_ ; + + my $html_file = $$html_file_name ; + + if ( defined $html_file ) { + open ( HTML, ">$html_file" ) or die "Can't create the output file $html_file " ; + + if (-e $html_template) { + my $ohtml = HTML::Template->new(filename => $html_template); + $ohtml->param( JS_GALAXY_PATH => $js_path, CSS_GALAXY_PATH => $css_path ) ; + $ohtml->param( CONDITIONS => $search_condition ) ; + $ohtml->param( PAGES_NB => $pages ) ; + $ohtml->param( PAGES => $html_object ) ; + print HTML $ohtml->output ; + } + else { + croak "Can't fill any html output : No template available ($html_template)\n" ; + } + + close (HTML) ; + } + else { + croak "No output file name available to write HTML file\n" ; + } + return(\$html_file) ; +} +## END of SUB + +=head2 METHOD set_lm_matrix_object + + ## Description : build the bih_row under its ref form + ## Input : $header, $init_mzs, $col_mzdb, $results, $rts, $col_rtdb, $bank_head, $sep + ## Output : $hmdb_matrix + ## Usage : my ( $hmdb_matrix ) = set_lm_matrix_object( $header, $init_mzs, $col_mzdb, $results, $rts, $col_rtdb, $bank_head, $sep ) ; + +=cut +## START of SUB +sub set_lm_matrix_object { + ## Retrieve Values + my $self = shift ; + my ( $header, $init_mzs, $col_mzdb, $results, $rts, $col_rtdb, $bank_head, $sep ) = @_ ; + + my @bih_matrix = () ; + + if ( defined $header ) { + my @headers = () ; + push @headers, $header ; + push @bih_matrix, \@headers ; + } + + my $index_mz = 0 ; + $col_mzdb -= 1; $col_rtdb -= 1; ## conversion in array number + + foreach my $mz ( @{$init_mzs} ) { + + my $index_entries = 0 ; + my @clusters = () ; + my $cluster_col = undef ; + + foreach my $entry (@{ $results->[$index_mz] }) { + + my $format_float = Math::BigFloat->new($entry->[$col_mzdb]); ## requires "use Math::BigFloat;" + my $delta_mz = abs( $format_float-$mz ); ## management problem on small float + # manage final pipe + if ($index_entries == 0){ $cluster_col .= $delta_mz.$sep.$entry->[$col_mzdb].$sep ; } ## Managing multiple results transition pipes "|" + else{ $cluster_col .= '|'.$delta_mz.$sep.$entry->[$col_mzdb].$sep ; } + + if ( ( defined $rts ) and ( $rts ne "" ) ) { + my $rt = $rts->[$index_mz] ; + my $format_float_rt = Math::BigFloat->new($entry->[$col_rtdb]); ## requires "use Math::BigFloat;" + my $delta_rt = abs( $format_float_rt-$rt ); ## management problem on small float + $cluster_col .= $delta_rt.$sep.$entry->[$col_rtdb].$sep; + } + for (my $i=0; $i<=$#$entry; $i++){ + if($i == $#$entry){ $cluster_col .= $entry->[$i]; } ## Managing multiple results transition "#" + else { $cluster_col .= $entry->[$i].$sep; } + } + $index_entries++ ; + } + if ( !defined $cluster_col ) { $cluster_col = 'No_result_found_in_bank_inhouse' ; } + + ## $cluster_col like METLIN data display model but the "::" have been modified (#) for ease of Excel reading + ## entry1=VAR1::VAR2::VAR3::VAR4|entry2=VAR1::VAR2::VAR3::VAR4|... + push (@clusters, $cluster_col) ; + push (@bih_matrix, \@clusters) ; + $index_mz++ ; + } + return(\@bih_matrix) ; +} +## END of SUB + +=head2 METHOD add_lm_matrix_to_input_matrix + + ## Description : build a full matrix (input + lm column) + ## Input : $input_matrix_object, $lm_matrix_object, $nb_header + ## Output : $output_matrix_object + ## Usage : my ( $output_matrix_object ) = add_lm_matrix_to_input_matrix( $input_matrix_object, $lm_matrix_object, $nb_header ) ; + +=cut +## START of SUB +sub add_lm_matrix_to_input_matrix { + ## Retrieve Values + my $self = shift ; + my ( $input_matrix_object, $lm_matrix_object, $nb_header ) = @_ ; + + my @output_matrix_object = () ; + my $index_row = 0 ; + my $line = 0 ; + + foreach my $row ( @{$input_matrix_object} ) { + my @init_row = @{$row} ; + $line++; + + if ( ( defined $nb_header ) and ( $line <= $nb_header) ) { + push (@output_matrix_object, \@init_row) ; + next ; + } + + if ( $lm_matrix_object->[$index_row] ) { + my $dim = scalar(@{$lm_matrix_object->[$index_row]}) ; + + if ($dim > 1) { warn "the add method can't manage more than one column\n" ;} + if (defined $lm_matrix_object->[$index_row][$dim-1]) { + my $lm_col = $lm_matrix_object->[$index_row][$dim-1] ; + push (@init_row, $lm_col) ; + } + + $index_row++ ; + } + push (@output_matrix_object, \@init_row) ; + } + return(\@output_matrix_object) ; +} +## END of SUB + +=head2 METHOD write_csv_skel + + ## Description : prepare and write csv output file + ## Input : $csv_file, $rows + ## Output : $csv_file + ## Usage : my ( $csv_file ) = write_csv_skel( $csv_file, $rows ) ; + +=cut +## START of SUB +sub write_csv_skel { + ## Retrieve Values + my $self = shift ; + my ( $csv_file, $rows ) = @_ ; + + my $ocsv = lib::csv::new() ; + my $csv = $ocsv->get_csv_object("\t") ; + $ocsv->write_csv_from_arrays($csv, $$csv_file, $rows) ; + + return($csv_file) ; +} +## END of SUB + + +=head2 METHOD write_full_excel_like + + ## Description : allows to print a tsv file + ## Input : $input_matrix_object, $sep, $masses, $mz_delta_type, $mz_delta, $col_mzdb, $rts, $rt_delta, $col_rtdb, $results, $file, $nb_header, $bank_head, $bank_name + ## Output : N/A + ## Usage : write_full_excel_like( $input_matrix_object, $sep, $masses, $mz_delta_type, $mz_delta, $col_mzdb, $rts, $rt_delta, $col_rtdb, $results, $file, $nb_header, $bank_head, $bank_name ) ; + +=cut +## START of SUB +sub write_full_excel_like { + ## Retrieve Values + my $self = shift ; + my ( $input_matrix_object, $sep, $masses, $mz_delta_type, $mz_delta, $col_mzdb, $rts, $rt_delta, $col_rtdb, $results, $file, $nb_header, $bank_head, $bank_name ) = @_ ; + + open(CSV, '>:utf8', $file) or die "Cant' create the file $file\n" ; + + my $line = 0 ; + my $index_mz = 0 ; + $col_mzdb -= 1; $col_rtdb -= 1; ## conversion in array number + + foreach my $row ( @{$input_matrix_object} ) { + my $join_row = join($sep, @$row); + + if ( defined $nb_header ){ + $line++; + if ( $line < $nb_header ) { print CSV $join_row."\n"; next ; } + elsif ( $line == $nb_header ){ + my $head = join("_".$bank_name.$sep, @$bank_head); + print CSV $join_row.$sep.$head."_".$bank_name."\n"; + next ; + } + } + + my $mass = $masses->[$index_mz] ; + my $results4mass = $results->[$index_mz]; + + if ( ref($results4mass) eq 'ARRAY' and defined $results4mass and $results4mass ne [] and $#$results4mass>=0) { ## an requested id has a result in the list of array $results. + foreach my $entry (@{$results->[$index_mz]}) { + print CSV $join_row."\t"; + my $format_float = Math::BigFloat->new($entry->[$col_mzdb]); ## requires "use Math::BigFloat;" + my $delta_mass = abs( $format_float-$mass ); ## management problem on small float + print CSV $delta_mass."\t".$entry->[$col_mzdb]; + + if ( ( defined $rts ) and ( $rts ne "" ) ) { + my $rt = $rts->[$index_mz] ; + my $format_float_rt = Math::BigFloat->new($entry->[$col_rtdb]); ## requires "use Math::BigFloat;" + my $delta_rt = abs( $format_float_rt-$rt ); ## management problem on small float + print CSV "\t".$rt."\t".$delta_rt."\t".$entry->[$col_rtdb]; + } + for (my $i=0; $i<=$#$entry; $i++){ print CSV "\t".$entry->[$i]; } + print CSV "\n"; + } + } + else { + print CSV $join_row."\tno results found"; + for (my $i=0; $i<$#$bank_head; $i++){ print CSV "\t"; } + print CSV "\n"; + } + $index_mz++ ; + } + close(CSV) ; + return() ; +} +## END of SUB + + +=head2 METHOD write_excel_like_mass + + ## Description : allows to print a tsv file if retention time is required + ## Input : $masses, $ids, $mz_delta_type, $mz_delta, $col_mzdb, $rts, $rt_delta, $col_rtdb, $results, $file, $bank_head + ## Output : N/A + ## Usage : write_excel_like_mass( $masses, $ids, $mz_delta_type, $mz_delta, $col_mzdb, $rts, $rt_delta, $col_rtdb, $results, $file, $bank_head ) ; +=cut +## START of SUB +sub write_excel_like_mass { + ## Retrieve Values + my $self = shift ; + my ( $masses, $mz_delta_type, $mz_delta, $col_mzdb, $rts, $rt_delta, $col_rtdb, $results, $file, $out_head ) = @_ ; + + open(CSV, '>:utf8', $file) or die "Cant' create the file $file\n" ; + + my $index_mz = 0 ; my @bank_head = @$out_head; + $col_mzdb -= 1; ## conversion in array number + if ( ( defined $rts ) and ( $rts ne "" ) ) { + splice (@bank_head, 2, 0, "RT_Submit"); + $col_rtdb -= 1; ## conversion in array number + } + my $head = join("\t", @bank_head); + print CSV "MASS_Submit\t".$head."\n" ; + + foreach my $mass (@{$masses}) { + my $results4mass = $results->[$index_mz]; + + if ( ref($results4mass) eq 'ARRAY' and defined $results4mass and $results4mass ne [] and $#$results4mass>=0) { ## an requested id has a result in the list of array $results. + foreach my $entry (@{$results->[$index_mz]}) { + print CSV $mass."\t"; + my $format_float = Math::BigFloat->new($entry->[$col_mzdb]); ## requires "use Math::BigFloat;" + my $delta_mass = abs( $format_float-$mass ); ## management problem on small float + print CSV $delta_mass."\t".$entry->[$col_mzdb]; + + if ( ( defined $rts ) and ( $rts ne "" ) ) { + my $rt = $rts->[$index_mz] ; + my $format_float_rt = Math::BigFloat->new($entry->[$col_rtdb]); ## requires "use Math::BigFloat;" + my $delta_rt = abs( $format_float_rt-$rt ); ## management problem on small float + print CSV "\t".$rt."\t".$delta_rt."\t".$entry->[$col_rtdb]; + } + for (my $i=0; $i<=$#$entry; $i++){ print CSV "\t".$entry->[$i]; } + print CSV "\n"; + } + } + else { + print CSV $mass."\tno results found"; + for (my $i=0; $i<$#bank_head; $i++){ print CSV "\t"; } + print CSV "\n"; + } + $index_mz++ ; + } + close(CSV) ; + return() ; +} +## END of SUB + + +=head2 METHOD db_pforest_get_clean_range + + ## Description : get a clean range of mass from PeakForest and REST + ## Input : $ws_host, $query, $max + ## Output : $json + ## Usage : $json = db_pforest_get_clean_range( $ws_host, $query, $max ) ; +=cut +## START of SUB + + +#sub db_pforest_get_clean_range { +# my $self = shift; +# my ( $ws_host, $query, $min, $max, $mode) = @_; +# my $json = undef ; +# # init +## my $ws_url = "https://rest.peakforest.org/search/compounds/monoisotopicmass/59.048/0.02"; +# +# $ENV{HTTPS_VERSION} = 3; +# #$ENV{PERL_LWP_SSL_VERIFY_HOSTNAME} = 0 ; +# +# my $headers = {Accept => 'application/json', Authorization => 'Basic '}; +# my $client = REST::Client->new({ +# host => $ws_host, +## cert => '/path/to/ssl.crt', +## key => '/path/to/ssl.key', +## ca => '/path/to/ca.file', +# timeout => 100, +# }); +# my $complete_query = $query.'/'.$min.'/'.$max ; +# +# if (defined $mode) { +# $complete_query = $complete_query.'?mode='.$mode ; +# } +# +# +# print $complete_query."\n" ; +# $client->GET($complete_query , $headers); +# $json = from_json ($client->responseContent()) ; +# +# return ($json) ; +#} + +=head2 METHOD map_pfjson_bankobject + + ## Description : map PForest json with the original BiH Bank object + ## Input : $json + ## Output : $complete_bank, $bank_head + ## Usage : ($complete_bank, $bank_heads) = map_pfjson_bankobject( json ) ; +=cut +## START of SUB +sub map_pfjson_bankobject { + my $self = shift; + my ( $json ) = @_; + + my ( %complete_bank ) = () ; + my ( @bank_head ) = ('id', 'mz') ; + + foreach my $cpd (@$json) { + $complete_bank{$cpd->{'mz'}} = [] ; + my @tmp = @{$cpd->{'cpds'}} ; + + push ( @tmp, $cpd->{'mz'} ) ; + push ( @{ $complete_bank{$cpd->{'mz'} } }, \@tmp ) ; + + } + return (\%complete_bank, \@bank_head) ; +} +## END of SUB + +1 ; + + +__END__ + +=head1 SUPPORT + +You can find documentation for this module with the perldoc command. + + perldoc bih.pm + +=head1 Exports + +=over 4 + +=item :ALL is prepare_multi_masses_query + +=back + +=head1 AUTHOR + +Marion Landi E<lt>marion.landi@clermont.inra.frE<gt> + +=head1 LICENSE + +This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself. + +=head1 VERSION + +version 1 : 19 / 11 / 2014 + +=cut
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/lib/conf.pm Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,259 @@ +package lib::conf ; + +use strict; +use warnings ; +use Exporter ; +use Carp ; +use Data::Dumper ; + +use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS); + +our $VERSION = "1.0" ; +our @ISA = qw(Exporter) ; +our @EXPORT = qw( as_conf get_value_from_conf check_path_and_file ) ; +our %EXPORT_TAGS = ( ALL => [qw( as_conf get_value_from_conf )] ) ; + +=head1 NAME + +conf - A module for manage pfem conf file + +=head1 SYNOPSIS + + use conf ; + my $object = conf->new() ; + +=head1 DESCRIPTION + +This module does manage conf file (extract all or selected fields) + +=head1 METHODS + +Methods are : + +=head2 METHOD new + + ## Description : new + ## Input : $self + ## Ouput : bless $self ; + ## Usage : new() ; + +=cut +## START of SUB +sub new { + ## Variables + my $self={}; + bless($self) ; + return $self ; +} +### END of SUB + +=head2 METHOD as_conf + + ## Description : permet de creer l'object conf a partir d'un fichier de conf de type KEY=VALUE + ## Input : $file + ## Ouput : $oConf (a hash) + ## Usage : my ( $oConf ) = as_conf( $file ) ; + +=cut +## START of SUB +sub as_conf { + ## Retrieve Values + my $self = shift ; + my ( $file, $separator ) = @_ ; + +# if (!defined $separator) { $separator = ';' } ## set separator to ; + + if ( !defined $file ) { croak "Can't create object with an none defined file\n" ; } + + my %Conf = () ; ## Hash devant contenir l'ensemble des parametres locaux + + if (-e $file) { + open (CFG, "<$file") or die "Can't open $file\n" ; + while (<CFG>) { + chomp $_ ; + if ( $_ =~ /^#(.*)/) { next ; } + elsif ($_ =~/^(\w+?)=(.*)/) { ## ALPHANUMERIC OR UNDERSCORE ONLY FOR THE KEY AND ANYTHING ELSE FOR VALUE + + my ($key, $value) = ($1, $2) ; + + if (defined $separator) { + if ( $value=~/$separator/ ) { ## is a list to split + my @tmp = split(/$separator/ , $value) ; + $Conf{$key} = \@tmp ; + } + } + else { + $Conf{$key} = $value ; + } + } + } + close(CFG) ; + } + else { + croak "Can't create object with an none existing file\n" ; + } + + return ( \%Conf ) ; +} +## END of SUB + +=head2 METHOD as_conf_list + + ## Description : permet de charger une liste txt en array + ## Input : $file + ## Output : elements + ## Usage : my ( elements ) = as_conf_list( $conf_file ) ; + +=cut +## START of SUB +sub as_conf_list { + ## Retrieve Values + my $self = shift ; + my ( $file ) = @_ ; + + my @elements = () ; + if ( !defined $file ) { croak "Can't create object with an none defined file\n" ; } + + if (-e $file) { + open (CFG, "<$file") or die "Can't open $file\n" ; + while (<CFG>) { + chomp $_ ; + if ( $_ =~ /^#(.*)/) { next ; } + elsif ($_ =~/^(.*)/) { if (defined $1) { push (@elements, $1) ; } } + } + } + else { + croak "Can't create object with an none existing file\n" ; + } + return(\@elements) ; +} +## END of SUB + +=head2 METHOD get_value_from_conf + + ## Description : permet de retourner une valeur du hash de conf a partir d'une key + ## Input : $oConf, $Key + ## Ouput : $Value + ## Usage : my ( $Value ) = get_value_from_conf( $oConf, $Key ) ; + +=cut +## START of SUB +sub get_value_from_conf { + ## Retrieve Values + my $self = shift ; + my ( $oConf, $Key ) = @_ ; + + my $Value = undef ; + + if ( defined $oConf ) { + if ( defined $oConf->{$Key} ) { + $Value = $oConf->{$Key} ; + } + } + else { + croak "Can't manage value with undefined object\n" ; + } + return($Value) ; +} +## END of SUB + +=head2 METHOD get_value_from_conf + + ## Description : permet de retourner une valeur du hash de conf a partir d'une key + ## Input : $oConf, $Key + ## Ouput : $Value + ## Usage : my ( $Value ) = get_value_from_conf( $oConf, $Key ) ; + +=cut +## START of SUB +sub split_value_from_conf { + ## Retrieve Values + my $self = shift ; + my ( $oConf, $Key, $sep ) = @_ ; + + my $value = undef ; + my @values = () ; + + if ( defined $oConf ) { + if ( defined $oConf->{$Key} ) { + $value = $oConf->{$Key} ; + @values = split ( /$sep/, $value) ; + } + } + else { + croak "Can't manage value with undefined object\n" ; + } + return(\@values) ; +} +## END of SUB + + +=head2 METHOD check_path_and_file + + ## Description : permet de verifier les path et la presence des exe decrits dans le file conf. Bloque le script en cas de probleme + ## Input : $oConfs + ## Ouput : NA + ## Usage : &get_value_from_conf( $oConf ) ; + +=cut +## START of SUB +sub check_path_and_file { + + my $self = shift ; + my ( $oConfs ) = @_ ; + + foreach my $conf ( keys %{ $oConfs } ) { + if ( $conf =~ /^FILE/ ) { + if ( -e $oConfs->{$conf} ) { + if ( -s $oConfs->{$conf} ) { next ; } + else { carp "[Warning] : The size of file $oConfs->{$conf} is null\n" ; } + } + else { + carp "[Warning] : The file $oConfs->{$conf} doesn't exist\n" ; + } + } + elsif ( $conf =~ /^PATH/ ) { + if ( -d $oConfs->{$conf} ) { next ; } + else { carp "[Warning] : The dir $oConfs->{$conf} doesn't exist\n" ; } + } + else { next ; } + } + return ; +} +## END of SUB + +1 ; + + +__END__ + +=head1 SUPPORT + +You can find documentation for this module with the perldoc command. + + perldoc conf.pm + + +=head1 Exports + +=over 4 + +=item :ALL is as_conf get_value_from_conf + +=back + +=head1 AUTHOR + +Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt> + +=head1 LICENSE + +This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself. + +=head1 VERSION + +version 1 : 10 / 02 / 2013 + +version 2 : 15 / 12 / 2015 + +=cut \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/lib/csv.pm Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,282 @@ +package lib::csv ; + +use strict; +use warnings ; +use Exporter ; +use Carp ; + +use Text::CSV ; + +use Data::Dumper ; + +use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS); + +our $VERSION = "1.0"; +our @ISA = qw(Exporter); +our @EXPORT = qw( get_csv_object get_value_from_csv ); +our %EXPORT_TAGS = ( ALL => [qw( get_csv_object get_value_from_csv )] ); + +=head1 NAME + +My::Module - An example module + +=head1 SYNOPSIS + + use My::Module; + my $object = My::Module->new(); + print $object->as_string; + +=head1 DESCRIPTION + +This module does not really exist, it +was made for the sole purpose of +demonstrating how POD works. + +=head1 METHODS + +Methods are : + +=head2 METHOD new + + ## Description : new + ## Input : $self + ## Ouput : bless $self ; + ## Usage : new() ; + +=cut + +sub new { + ## Variables + my $self={}; + bless($self) ; + return $self ; +} +### END of SUB + +=head2 METHOD get_csv_object + + ## Description : builds a csv object and etablishes format + ## Input : $separator + ## Output : $csv + ## Usage : my ( $csv ) = get_csv_object( $separator ) ; + +=cut +## START of SUB +sub get_csv_object { + ## Retrieve Values + my $self = shift ; + my ( $separator ) = @_ ; + +# my $csv = Text::CSV->new({'sep_char' => "$separator"}); + my $csv = Text::CSV->new ( {'sep_char' => "$separator", binary => 1 } ) # should set binary attribute. + or die "Cannot use CSV: ".Text::CSV->error_diag (); + + return($csv) ; +} +## END of SUB + +=head2 METHOD get_value_from_csv + + ## Description : extract a targeted column in a csv file + ## Input : $csv, $file, $column, $is_header + ## Output : $value + ## Usage : my ( $value ) = get_value_from_csv( $csv, $file, $column, $is_header ) ; + +=cut +## START of SUB +sub get_value_from_csv { + ## Retrieve Values + my $self = shift ; + my ( $csv, $file, $column, $is_header ) = @_ ; + + my @value = () ; + + ## Adapte the number of the colunm : (nb of column to position in array) + $column = $column - 1 ; + + open (CSV, "<", $file) or die $! ; + + my $line = 0 ; + + while (<CSV>) { + $line++ ; + chomp $_ ; + # file has a header + if ( defined $is_header ) { if ($line == 1) { next ; } } + # parsing the targeted column + if ( $csv->parse($_) ) { + my @columns = $csv->fields(); + push ( @value, $columns[$column] ) ; + } + else { + my $err = $csv->error_input; + die "Failed to parse line: $err"; + } + } + close CSV; + return(\@value) ; +} +## END of SUB + +=head2 METHOD get_value_from_csv_multi_header + + ## Description : extract a targeted column in a csv file + ## Input : $csv, $file, $column, $is_header, $nb_header + ## Output : $value + ## Usage : my ( $value ) = get_value_from_csv_multi_header( $csv, $file, $column, $is_header, $nb_header ) ; + +=cut +## START of SUB +sub get_value_from_csv_multi_header { + ## Retrieve Values + my $self = shift ; + my ( $csv, $file, $column, $is_header, $nb_header ) = @_ ; + + my @value = () ; + + ## Adapte the number of the colunm : (nb of column to position in array) + $column = $column - 1 ; + + open (CSV, "<", $file) or die $! ; + + my $line = 0 ; + + while (<CSV>) { + $line++ ; + chomp $_ ; + # file has a header + if ( defined $is_header and $is_header eq 'yes') { if ($line <= $nb_header) { next ; } } + # parsing the targeted column + if ( $csv->parse($_) ) { + my @columns = $csv->fields(); + push ( @value, $columns[$column] ) ; + } + else { + my $err = $csv->error_input; + die "Failed to parse line: $err"; + } + } + close CSV; + return(\@value) ; +} +## END of SUB + +=head2 METHOD parse_csv_object + + ## Description : parse_all csv object and return a array of rows + ## Input : $csv, $file + ## Output : $csv_matrix + ## Usage : my ( $csv_matrix ) = parse_csv_object( $csv, $file ) ; + +=cut +## START of SUB +sub parse_csv_object { + ## Retrieve Values + my $self = shift ; + my ( $csv, $file ) = @_ ; + + my @csv_matrix = () ; + + open my $fh, "<:encoding(utf8)", $$file or die "Can't open csv file $$file: $!"; + + while ( my $row = $csv->getline( $fh ) ) { + push @csv_matrix, $row; + } + $csv->eof or $csv->error_diag(); + close $fh; + + return(\@csv_matrix) ; +} +## END of SUB + +=head2 METHOD parse_allcsv_object + + ## Description : parse_all csv object and return a array of rows with or without header + ## Input : $csv, $file, $keep_header + ## Output : $csv_matrix + ## Usage : my ( $csv_matrix ) = parse_csv_object( $csv, $file, $keep_header ) ; + +=cut +## START of SUB +sub parse_allcsv_object { + ## Retrieve Values + my $self = shift ; + my ( $csv, $file, $keep_header ) = @_ ; + + my @csv_matrix = () ; + my $line = 1 ; + + open my $fh, "<:encoding(utf8)", $$file or die "Can't open csv file $$file: $!"; + + while ( my $row = $csv->getline( $fh ) ) { + if ( ( $keep_header eq 'n' ) and ($line == 1) ) { } + else { push @csv_matrix, $row; } + $line ++ ; + } + my $status = $csv->eof or $csv->error_diag(); + close $fh; + + return(\@csv_matrix, $status) ; +} +## END of SUB + + +=head2 METHOD write_csv_from_arrays + + ## Description : write a csv file from list of rows + ## Input : $csv, $file_name, $rows + ## Output : $csv_file + ## Usage : my ( $csv_file ) = write_csv_from_arrays( $csv, $file_name, $rows ) ; + +=cut +## START of SUB +sub write_csv_from_arrays { + ## Retrieve Values + my $self = shift ; + my ( $csv, $file_name, $rows ) = @_ ; + + my $fh = undef ; + $csv->eol ("\n"); ## end-of-line string to add to rows + open $fh, ">:encoding(utf8)", "$file_name" or die "$file_name: $!"; + + my $status = $csv->print ($fh, $_) for @{$rows}; + close $fh or die "$file_name: $!"; + + return(\$file_name) ; +} +## END of SUB + +1 ; + + +__END__ + +=head1 SUPPORT + +You can find documentation for this module with the perldoc command. + + perldoc csv.pm + +=head1 Exports + +=over 4 + +=item :ALL is get_csv_object, get_value_from_csv + +=back + +=head1 AUTHOR + +Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt> + +=head1 LICENSE + +This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself. + +=head1 VERSION + +version 1 : 23 / 10 / 2013 + +version 2 : ?? + +=cut \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/lib/json.pm Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,152 @@ +package lib::json ; + +use strict; +use warnings ; +use Exporter ; +use Carp ; + +use Data::Dumper ; + +## dedicate lib +use JSON qw( ); + +use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS); + +our $VERSION = "1.0"; +our @ISA = qw(Exporter); +our @EXPORT = qw(decode_json_file); +our %EXPORT_TAGS = ( ALL => [qw(decode_json_file)] ); + +=head1 NAME + +My::Module - An example module + +=head1 SYNOPSIS + + use My::Module; + my $object = My::Module->new(); + print $object->as_string; + +=head1 DESCRIPTION + +This module does not really exist, it +was made for the sole purpose of +demonstrating how POD works. + +=head1 METHODS + +Methods are : + +=head2 METHOD new + + ## Description : new + ## Input : $self + ## Ouput : bless $self ; + ## Usage : new() ; + +=cut + +sub new { + ## Variables + my $self={}; + bless($self) ; + return $self ; +} +### END of SUB + +=head2 METHOD decode_json_file + + ## Description : decode a json file and return a json perl object + ## Input : $ref_file + ## Output : $ojson + ## Usage : my ( $ojson ) = decode_json_file( $file ) ; + +=cut +## START of SUB +sub decode_json_file { + ## Retrieve Values + my $self = shift ; + my ( $ref_file ) = @_ ; + + my $ojson = undef ; + + if ( ( defined $ref_file ) and ( -e $$ref_file ) ) { + my $filename = $$ref_file ; + my $json_text = do { + open( my $json_fh, "<:encoding(UTF-8)", $filename) or die("Can't open \$filename\": $!\n"); + local $/; + <$json_fh> + }; + + my $json = JSON->new; + $ojson = $json->decode($json_text); + } + else { + croak "Can't decode any file : it doesn't exist or defined\n" ; + } + return(\$ojson) ; +} +## END of SUB + +=head2 METHOD decode_json_stdout + + ## Description : decode a perl unicode string and return a json perl object + ## Input : $stdout + ## Output : $perl_scalar + ## Usage : my ( $perl_scalar ) = decode_json_stdout( $stdout ) ; + +=cut +## START of SUB +sub decode_json_stdout { + ## Retrieve Values + my $self = shift ; + my ( $stdout ) = @_ ; + + my $perl_scalar = undef ; + if ( defined $stdout ) { + my $string = $$stdout ; +# $string =~ s/\\/\\\\/g ; ## bug patched : jsons are clean now + + $perl_scalar = JSON->new->decode($string) ; + } + else { + croak "Can't decode any string : it doesn't defined\n" ; + } + return(\$perl_scalar) ; +} +## END of SUB + +1 ; + + +__END__ + +=head1 SUPPORT + +You can find documentation for this module with the perldoc command. + + perldoc XXX.pm + +=head1 Exports + +=over 4 + +=item :ALL is ... + +=back + +=head1 AUTHOR + +Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt> + +=head1 LICENSE + +This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself. + +=head1 VERSION + +version 1 : xx / xx / 201x + +version 2 : ?? + +=cut \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/t/bih_managerTest.t Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,144 @@ +#! perl +use diagnostics; +use warnings; +no warnings qw/void/; +use strict; +no strict "refs" ; +use Test::More tests => 36 ; +use FindBin ; +use Data::Dumper ; + +## Specific Modules +use lib $FindBin::Bin ; +my $binPath = $FindBin::Bin ; +use lib::bihTest qw( :ALL ) ; + +## testing check_interval +print "\n-- test whether a value is in the interval defines\n\n" ; +#01 +is ( check_interval_Test('test', '0', '1'), "'test' isn't a valid number!", 'Works with a value that is not a number'); +#02 +is ( check_interval_Test('', '0', '1'), "'' isn't a valid number!", 'Works with a value that is not a number'); +#03 +is ( check_interval_Test('-0.5', '-1', '0'), "OK", 'Works with a negative float'); +#04 +is ( check_interval_Test('-0.5', '0', '1'), "'-0.5' is below the minimum!", 'Works with a number below the minimum!'); +#05 +is ( check_interval_Test('2', '0', '1'), "'2' is greater than the maximum!", 'Works with a number greater than the maximum!'); +print "\n--\n" ; + +## testing format_manual_masses +print "\n-- Test format manual list of values lib for values (ex=> masses)\n\n" ; +#06 +isa_ok( format_manual_list_values_Testvalues('562.0235', ' '), 'ARRAY' ); +#07 +is_deeply(format_manual_list_values_Testvalues('562.0235', ' '), [562.0235], 'Works with \'562.0235\' for mass'); +#08 +is_deeply(format_manual_list_values_Testvalues('562.0235 987.4568', ' '), [562.0235, 987.4568], 'Works with \'562.0235 987.4568\' for masses'); +#09 +is_deeply(format_manual_list_values_Testvalues('562.0235;987.4568', ';'), [562.0235, 987.4568], 'Works with \'562.0235;987.4568\' for masses'); +print "\n--\n" ; + +print "\n-- Test format manual list of values lib for ids\n\n" ; +#10 +isa_ok( format_manual_list_values_Testids('562.0235', ' '), 'ARRAY' ); +#11 +is_deeply(format_manual_list_values_Testids('562.0235', ' '), ['value_1'], 'Works with \'562.0235\' for ids'); +#12 +is_deeply(format_manual_list_values_Testids('562.0235 987.4568', ' '), ['value_1', 'value_2'], 'Works with \'562.0235 987.4568\' for ids'); +#13 +is_deeply(format_manual_list_values_Testids('562.0235 987.4568 ', ' '), ['value_1', 'value_2'], 'Works with \'562.0235 987.4568 \' for ids'); +#14 +is_deeply(format_manual_list_values_Testids('562.0235 987.4568 52.0235 98.48 62.0235 987.68 152.05 8.48 562.0235', ' '), ['value_1', 'value_2','value_3', 'value_4','value_5', 'value_6','value_7', 'value_8', 'value_9'], 'Works with 9 masses for ids'); +#15 +is_deeply(format_manual_list_values_Testids('562.0235 987.4568 52.0235 98.48 62.0235 987.68 152.05 8.48 562.0235 987.4568', ' '), ['value_01', 'value_02','value_03', 'value_04','value_05', 'value_06','value_07', 'value_08', 'value_09', 'value_10'], 'Works with 10 masses for ids'); +#16 +is_deeply(format_manual_list_values_Testids('562.0235 987.4568 52.0235 98.48 62.0235 987.68 152.05 8.48 562.0235 987.4568 52.0235 98.48 62.0235 987.68 152.05 8.48', ' '), ['value_01', 'value_02','value_03', 'value_04','value_05', 'value_06','value_07', 'value_08', 'value_09', 'value_10', 'value_11', 'value_12', 'value_13', 'value_14', 'value_15', 'value_16'], 'Works with 16 masses for ids'); +print "\n--\n" ; + +## testing manage_mode +#print "\n-- Test manage_mode lib\n\n" ; +#09 +#isa_ok( manage_mode_Testionization('positive,negative,neutral'), 'ARRAY' ); +#10 +#is_deeply(manage_mode_Testionization('positive,negative,neutral'), ['positive', 'negative', 'neutral'], 'Works with \'562.0235\' for ids'); +#14 +#isa_ok( format_manual_list_values_Testids('562.0235 987.4568'), 'ARRAY' ); +#15 +#is_deeply(format_manual_list_values_Testids('562.0235 987.4568'), ['mass_1', 'mass_2'], 'Works with \'562.0235 987.4568\' for ids'); +#16 +#is_deeply(format_manual_list_values_Testids('562.0235 987.4568 52.0235 98.48 62.0235 987.68 152.05 8.48 562.0235 987.4568 52.0235 98.48 62.0235 987.68 152.05 8.48'), ['mass_01', 'mass_02','mass_03', 'mass_04','mass_05', 'mass_06','mass_07', 'mass_08', 'mass_09', 'mass_10', 'mass_11', 'mass_12', 'mass_13', 'mass_14', 'mass_15', 'mass_16'], 'Works with 16 masses for ids'); +#print "\n--\n" ; + +## testing mz_delta_conversion +print "\n-- Test mz_delta_conversion lib\n\n" ; +#17 +is ( mz_delta_conversion_Testmin(100, 'Da', 0.005), 99.995, 'Works with \'100, Da, 0.005\' for minimum'); +#18 +is ( mz_delta_conversion_Testmax(100, 'Da', 0.005), 100.0050000001, 'Works with \'100, Da, 0.005\' for maximum'); +#19 +is ( mz_delta_conversion_Testmin(500, 'Da', 0.005), 499.995, 'Works with \'500, Da, 0.005\' for minimum'); +#20 +is ( mz_delta_conversion_Testmax(500, 'Da', 0.005), 500.0050000001, 'Works with \'500, Da, 0.005\' for maximum'); +#21 +is ( mz_delta_conversion_Testmin(100, 'ppm', 5), 99.9995, 'Works with \'100, ppm, 5\' for minimum'); +#22 +is ( mz_delta_conversion_Testmax(100, 'ppm', 5), 100.0005000001, 'Works with \'100, ppm, 5\' for maximum'); +#23 +is ( mz_delta_conversion_Testmin(500, 'ppm', 5), 499.9975, 'Works with \'500, ppm, 5\' for minimum'); +#24 +is ( mz_delta_conversion_Testmax(500, 'ppm', 5), 500.0025000001, 'Works with \'500, ppm, 5\' for maximum'); +print "\n--\n" ; + +## testing dichotomi_search +print "\n-- Test dichotomi_search lib\n\n" ; +#25 +is ( dichotomi_search_Test(['1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11'], '0'), -1, 'Works with \'0\' smaller than the 1st element'); +#26 +is ( dichotomi_search_Test(['1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11'], '1'), 0, 'Works with \'1\' equal to the 1st element'); +#27 +is ( dichotomi_search_Test(['1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11'], '5'), 4, 'Works with \'5\' equal to the 4th element'); +#28 +is ( dichotomi_search_Test(['1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11'], '11'), 10, 'Works with \'11\' equal to the last (10th) element'); +#29 +is ( dichotomi_search_Test(['1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11'], '11.001'), 11, 'Works with \'11.001\' greater than the last (10th) element'); +#30 +is ( dichotomi_search_Test(['1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11'], '9.5'), 9, 'Works with \'9.5\' between the 9th and the 10th element return \'9\'(the index of the 10th)'); +#31 +is ( dichotomi_search_Test(['1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11'], '8.5'), 8, 'Works with \'8.5\' between the 8th and the 9th element return \'8\'(the index of the 9th)'); +#32 +is ( dichotomi_search_Test(['1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11'], '10.5'), 10, 'Works with \'10.5\' between the 10th and the 11th element return \'10\'(the index of the 11th)'); +print "\n--\n" ; + +## test of input bank parsing +print "\n-- Test bank parsing\n\n" ; +is_deeply ( parse_bank_interest_Test( + '/Users/fgiacomoni/Inra/labs/perl/galaxy_tools/tool-bank_inhouse/test_data/in_test2.tabular', 1), + { '422.0849114' => [ [ 'C19H18O11', '422.0849114' ] ], '98.952389' => [ [ 'Halothane', '98.952389' ] ], '209.987659' => [ [ 'Bismuth', '209.987659' ] ], '18.0105647' => [ [ 'H2O', '18.0105647' ] ], '199.951068' => [ [ 'Picolinic acid', '199.951068' ] ], '535.3181236' => [ [ 'C18H45N7O11', '535.3181236' ] ] }, + "Parsing a bank method works an return a well organized hash\n" ) ; + +print "\n--\n" ; + + +## test of rest ws of PeakForest +print "\n-- Test PeakForest WS\n\n" ; +is_deeply ( db_pforest_get_clean_range_Test( + 'https://rest.peakforest.org', '/spectra/lcms/peaks/get-range-clean', '190.0', '200.0', 'negative'), + [{ 'cpds' => [ 186 ], 'thMass' => '195.0877', 'sp' => 25, 'ri' => '100', 'deltaPPM' => '0.245', 'composition' => 'C8H11N4O2', 'attribution' => '[M+H]+', 'mz' => '195.0875' }, { 'composition' => 'C9H9O5', 'attribution' => '[M-H]-', 'ri' => '100', 'deltaPPM' => '0.271', 'cpds' => [ 360 ], 'thMass' => '197.0456', 'sp' => 37, 'mz' => '197.0452' }, { 'composition' => 'C9H12NO4', 'attribution' => '[M+H]+', 'deltaPPM' => '-0.426098891623529', 'ri' => '100', 'thMass' => '198.0760844', 'sp' => 77, 'cpds' => [ 1841 ], 'mz' => '198.076' }, { 'mz' => '196.0614', 'composition' => 'C9H10NO4', 'attribution' => '[M-H]-', 'cpds' => [ 1841 ], 'thMass' => '196.0615311', 'sp' => 78, 'ri' => '100', 'deltaPPM' => '-0.668667633415113' }, { 'cpds' => [ 1841 ], 'thMass' => '198.0760844', 'sp' => 79, 'ri' => '100', 'deltaPPM' => '-0.426098891623529', 'composition' => 'C9H12NO4', 'attribution' => '[M+H]+', 'mz' => '198.076' }], + "PForest WS call works an return a clean range og mz between 190 and 200\n" ) ; + +print "\n--\n" ; + +## test of rest ws of PeakForest +print "\n-- Test PeakForest JSON Bank parsing\n\n" ; + +my ($bank, $headers) = map_pfjson_bankobject_Test([ { 'cpds' => [ 186 ], 'mz' => '195.0875' }, {'mz' => '198.076', 'cpds' => [ 190 ]} ]) ; +is_deeply ( + $bank, + { '198.076' => [ [ 190, '198.076' ] ], '195.0875' => [ [ 186, '195.0875' ] ] }, + "Parsing json bank from PeakForest works an return a well organized hash for data\n" ) ; + +is_deeply ( + $headers, + ['id', 'mz'], + "Parsing json bank from PeakForest works an return a well organized array for headers\n" ) ; \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/t/lib/bihTest.pm Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,106 @@ +package lib::bihTest ; + +use diagnostics; # this gives you more debugging information +use warnings; # this warns you of bad practices +use strict; # this prevents silly errors +use Exporter ; +use Carp ; +use Data::Dumper ; + +our $VERSION = "1.0"; +our @ISA = qw(Exporter); +our @EXPORT = qw( map_pfjson_bankobject_Test parse_bank_interest_Test db_pforest_get_clean_range_Test check_interval_Test format_manual_list_values_Testvalues format_manual_list_values_Testids manage_mode_TestvalH manage_mode_Testionization mz_delta_conversion_Testmin mz_delta_conversion_Testmax dichotomi_search_Test ); +our %EXPORT_TAGS = ( ALL => [qw( map_pfjson_bankobject_Test parse_bank_interest_Test db_pforest_get_clean_range_Test check_interval_Test format_manual_list_values_Testvalues format_manual_list_values_Testids manage_mode_TestvalH manage_mode_Testionization mz_delta_conversion_Testmin mz_delta_conversion_Testmax dichotomi_search_Test )] ); + +use lib '/Users/fgiacomoni/Inra/labs/perl/galaxy_tools/tool-bank_inhouse' ; +use lib::bih qw( :ALL ) ; +use lib::json qw( :ALL ) ; +use lib::csv qw( :ALL ) ; + +sub check_interval_Test { + my ( $value, $min, $max ) = @_ ; + my $oBih = lib::bih->new() ; + my ($message) = $oBih->check_interval($value, $min, $max) ; + return($message) ; +} + +sub format_manual_list_values_Testvalues { + my ( $value, $sep ) = @_ ; + my $oBih = lib::bih->new() ; + my ($values, $ids) = $oBih->format_manual_list_values($value, $sep) ; + return ($values) ; +} + +sub format_manual_list_values_Testids { + my ( $value, $sep ) = @_ ; + my $oBih = lib::bih->new() ; + my ($values, $ids) = $oBih->format_manual_list_values($value, $sep) ; + return ($ids) ; +} + +sub mz_delta_conversion_Testmin { + my ( $mass, $delta_type, $mz_delta ) = @_ ; + my $oBih = lib::bih->new() ; + my ($min, $max) = $oBih->mz_delta_conversion(\$mass, \$delta_type, \$mz_delta) ; + return($$min) ; +} + +sub mz_delta_conversion_Testmax { + my ( $mass, $delta_type, $mz_delta ) = @_ ; + my $oBih = lib::bih->new() ; + my ($min, $max) = $oBih->mz_delta_conversion(\$mass, \$delta_type, \$mz_delta) ; + return($$max) ; +} + +sub dichotomi_search_Test { + my ( $tab, $search ) = @_ ; + my $oBih = lib::bih->new() ; + my ($position) = $oBih->dichotomi_search($tab, \$search) ; + return($$position) ; +} + +## SUB TEST for +sub db_pforest_get_clean_range_Test { + # get values + my ( $host, $query, $min, $max, $mode ) = @_; + my $json = undef ; + + my $oBih = lib::bih->new() ; + $json = $oBih->db_pforest_get_clean_range($host, $query, $min, $max, $mode ) ; + + return($json) ; +} +## End SUB + +## SUB TEST for +sub parse_bank_interest_Test { + # get values + my ( $file, $col_interest ) = @_; + + my $ocsv_input = lib::csv->new() ; + my $ocsv = $ocsv_input->get_csv_object( "\t" ) ; + + my $oBih = lib::bih->new() ; + my ($bank, $bank_header) = $oBih->parse_bank_interest($ocsv, \$file, $col_interest) ; + +# print Dumper $bank ; + + return($bank) ; +} +## End SUB + + +sub map_pfjson_bankobject_Test { + # get values + my ( $json ) = @_; + + my ($bank, $headers) = (undef, undef) ; + + my $oBih = lib::bih->new() ; + ($bank, $headers) = $oBih->map_pfjson_bankobject($json) ; +# print Dumper $headers ; + return($bank, $headers) ; +} + + +1 ; \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/in_test2.tabular Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,7 @@ +id masses +C19H18O11 422.0849114 +H2O 18.0105647 +C18H45N7O11 535.3181236 +Bismuth 209.987659 +Halothane 98.952389 +Picolinic acid 199.951068
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/out_test1.tabular Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,55 @@ +MASS_Submit DELTA_mass(0.005Da) MASS_Result ENTRY NAME FORMULA MASS PATHWAYS SOURCE MODE TISSUES +422.0849114 0.0024114 422.0825 C00689 alpha,alpha'-Trehalose 6-phosphate C12H23O14P 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C02591 Sucrose 6-phosphate C12H23O14P 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C02995 Maltose 6'-phosphate C12H23O14P 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C04534 6-Phospho-beta-D-glucosyl-(1,4)-D-glucose C12H23O14P 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C05396 Lactose 6-phosphate C12H23O14P 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C16688 Sucrose-6-phosphate C12H23O14P 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C16689 poly-cis-Polyprenyl diphosphate longer by one C5 unit C11H22O7P2 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C16690 5-L-Glutamyl-D-glutamyl-peptide C10H16N3O6R 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C16691 DNA 2,6-diamino-5-formamido-3,4-dihydro-4-oxopyrimidine C10H16N5O8P 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C18050 beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate C12H23O14P 422.0825 NA KEGG NA NA +422.0849114 0.0023704 422.082541 MJ059635 1,1'-Di-myo-inosityl phosphate C12H23O14P 422.082541 NA MeJP NA NA +422.0849114 0.0023694 422.082542 MJ059636 alpha,alpha'-Trehalose 6-phosphate C12H23O14P 422.082542 NA MeJP NA NA +422.0849114 0.0023694 422.082542 MJ059637 Lactose 6-phosphate C12H23O14P 422.082542 NA MeJP NA NA +422.0849114 0.0023694 422.082542 MJ059638 Maltose 6'-phosphate C12H23O14P 422.082542 NA MeJP NA NA +422.0849114 0.0023694 422.082542 MJ059639 Sugar 1-phosphate C12H23O14P 422.082542 NA MeJP NA NA +422.0849114 0.0023694 422.082542 MetaCyc03484 6-phospho-β-D-glucosyl-(1,4)-D-glucose [] C12H23O14P1 422.082542 NA metacyc NA NA +422.0849114 0.0023694 422.082542 MetaCyc03485 maltose 6'-phosphate [] C12H23O14P1 422.082542 NA metacyc NA NA +422.0849114 0.0023694 422.082542 MetaCyc03486 trehalose 6-phosphate [α,α-trehalose 6-phosphate;] C12H23O14P1 422.082542 4484-88-2 metacyc NA NA +422.0849114 0.0023694 422.082542 MetaCyc03487 sucrose-6-phosphate [sucrose 6F-phosphate;sucrose-6-P;] C12H23O14P1 422.082542 NA metacyc NA NA +422.0849114 0.0023694 422.082542 MetaCyc03488 lactose 6'-phosphate [] C12H23O14P1 422.082542 NA metacyc NA NA +422.0849114 0.0023694 422.082542 MetaCyc03489 6-phospho-β-D-glucosyl-(1,4)-D-glucose [] C12H23O14P1 422.082542 NA metacyc NA NA +422.0849114 0.0023614 422.08255 HMDB01124 Trehalose 6-phosphate C12H23O14P 422.08255 http://www.hmdb.ca/metabolites/HMDB01124 HMDB NA NA +422.0849114 0.0023614 422.08255 HMDB06789 Lactose 6-phosphate C12H23O14P 422.08255 http://www.hmdb.ca/metabolites/HMDB06789 HMDB NA NA +422.0849114 0.0023614 422.08255 HMDB01124 Trehalose 6-phosphate C12H23O14P 422.08255 HMDB01124 PFEM_hmdb_metabocards_official NA NA +422.0849114 0.0023614 422.08255 HMDB06789 Lactose 6-phosphate C12H23O14P 422.08255 HMDB06789 PFEM_hmdb_metabocards_official NA NA +422.0849114 0.0023614 422.08255 HMDB01124 Trehalose 6-phosphate C12H23O14P 422.08255 NA HMDB2010 NA NA +422.0849114 0.0023614 422.08255 HMDB06789 Lactose 6-phosphate C12H23O14P 422.08255 NA HMDB2010 NA NA +422.0849114 0.0000114 422.0849 C10077 Mangiferin C19H18O11 422.0849 NA KEGG NA NA +422.0849114 0.0000114 422.0849 C10089 Norswertianolin C19H18O11 422.0849 NA KEGG NA NA +422.0849114 0.0000114 422.0849 C10095 Tripteroside C19H18O11 422.0849 NA KEGG NA NA +422.0849114 0.0000114 422.0849 C16979 Isomangiferin C19H18O11 422.0849 NA KEGG NA NA +422.0849114 0.0000004 422.084911 MJ059640 1,2,6,8-Tetrahydroxyxanthone; 1-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059641 1,2,6,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059642 1,3,5,6-Tetrahydroxyxanthone; 3-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059643 1,3,5,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059644 1,3,6,7-Tetrahydroxyxanthone; 6-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059645 2-Glucosyl-1,3,5,6-tetrahydroxyxanthone C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059646 Chrysograyanone C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059647 Dilatatin C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059648 Isomangiferin C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059649 Mangiferin C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059650 Nigricanside C19H18O11 422.084911 NA MeJP NA NA +18.0105647 0.0000057 18.010559 HMDB02111 Water H2O 18.010559 NA HMDB2010 NA NA +18.0105647 0.0000047 18.01056 HMDB02111 Water H2O 18.01056 http://www.hmdb.ca/metabolites/HMDB02111 HMDB NA NA +18.0105647 0.0000047 18.01056 HMDB02111 Water H2O 18.01056 HMDB02111 PFEM_hmdb_metabocards_official NA NA +18.0105647 0.0000007 18.010564 MJ000004 Water H2O 18.010564 NA MeJP NA NA +18.0105647 0.0000007 18.010564 MJ000005 H2O H2O 18.010564 NA MeJP NA NA +18.0105647 0.0000003 18.010565 MetaCyc00008 H2O [H20;hydrogen oxide;water;] H2O1 18.010565 7732-18-5 metacyc NA NA +18.0105647 0.0000353 18.0106 C00001 H2O H2O 18.0106 NA KEGG NA NA +535.3181236 0.0036066 535.314517 MJ078445 Labiatamide A C29H45NO8 535.314517 NA MeJP NA NA +535.3181236 0.0036066 535.314517 MJ078446 Neoline; O8,O14-Di-Ac, O1-Me C29H45NO8 535.314517 NA MeJP NA NA +535.3181236 0.0036066 535.314517 MJ078447 Zygadenine; O3-Ac C29H45NO8 535.314517 NA MeJP NA NA +209.987659 0.000604 209.987055 MJ008190 Zinc(II) propanoate C6H10O4Zn 209.987055 NA MeJP NA NA +98.952389 no results found
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/out_test2a.tabular Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,7 @@ +id masses BiH_internal_bank_(DELTA_mass(0.005Da)#MASS_Result#ENTRY#NAME#FORMULA#MASS#PATHWAYS#SOURCE#MODE#TISSUES) +C19H18O11 422.0849114 "0.0024114#422.0825#C00689#alpha,alpha'-Trehalose 6-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C02591#Sucrose 6-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C02995#Maltose 6'-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C04534#6-Phospho-beta-D-glucosyl-(1,4)-D-glucose#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C05396#Lactose 6-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C16688#Sucrose-6-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C16689#poly-cis-Polyprenyl diphosphate longer by one C5 unit#C11H22O7P2#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C16690#5-L-Glutamyl-D-glutamyl-peptide#C10H16N3O6R#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C16691#DNA 2,6-diamino-5-formamido-3,4-dihydro-4-oxopyrimidine#C10H16N5O8P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C18050#beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0023704#422.082541#MJ059635#1,1'-Di-myo-inosityl phosphate #C12H23O14P#422.082541#NA#MeJP#NA#NA|0.0023694#422.082542#MJ059636#alpha,alpha'-Trehalose 6-phosphate #C12H23O14P#422.082542#NA#MeJP#NA#NA|0.0023694#422.082542#MJ059637#Lactose 6-phosphate #C12H23O14P#422.082542#NA#MeJP#NA#NA|0.0023694#422.082542#MJ059638#Maltose 6'-phosphate #C12H23O14P#422.082542#NA#MeJP#NA#NA|0.0023694#422.082542#MJ059639#Sugar 1-phosphate #C12H23O14P#422.082542#NA#MeJP#NA#NA|0.0023694#422.082542#MetaCyc03484#6-phospho-β-D-glucosyl-(1,4)-D-glucose []#C12H23O14P1#422.082542#NA#metacyc#NA#NA|0.0023694#422.082542#MetaCyc03485#maltose 6'-phosphate []#C12H23O14P1#422.082542#NA#metacyc#NA#NA|0.0023694#422.082542#MetaCyc03486#trehalose 6-phosphate [α,α-trehalose 6-phosphate;]#C12H23O14P1#422.082542#4484-88-2#metacyc#NA#NA|0.0023694#422.082542#MetaCyc03487#sucrose-6-phosphate [sucrose 6F-phosphate;sucrose-6-P;]#C12H23O14P1#422.082542#NA#metacyc#NA#NA|0.0023694#422.082542#MetaCyc03488#lactose 6'-phosphate []#C12H23O14P1#422.082542#NA#metacyc#NA#NA|0.0023694#422.082542#MetaCyc03489#6-phospho-β-D-glucosyl-(1,4)-D-glucose []#C12H23O14P1#422.082542#NA#metacyc#NA#NA|0.0023614#422.08255#HMDB01124#Trehalose 6-phosphate#C12H23O14P#422.08255#http://www.hmdb.ca/metabolites/HMDB01124#HMDB#NA#NA|0.0023614#422.08255#HMDB06789#Lactose 6-phosphate#C12H23O14P#422.08255#http://www.hmdb.ca/metabolites/HMDB06789#HMDB#NA#NA|0.0023614#422.08255#HMDB01124#Trehalose 6-phosphate#C12H23O14P#422.08255#HMDB01124#PFEM_hmdb_metabocards_official#NA#NA|0.0023614#422.08255#HMDB06789#Lactose 6-phosphate#C12H23O14P#422.08255#HMDB06789#PFEM_hmdb_metabocards_official#NA#NA|0.0023614#422.08255#HMDB01124#Trehalose 6-phosphate#C12H23O14P#422.08255#NA#HMDB2010#NA#NA|0.0023614#422.08255#HMDB06789#Lactose 6-phosphate#C12H23O14P#422.08255#NA#HMDB2010#NA#NA|0.0000114#422.0849#C10077#Mangiferin#C19H18O11#422.0849#NA#KEGG#NA#NA|0.0000114#422.0849#C10089#Norswertianolin#C19H18O11#422.0849#NA#KEGG#NA#NA|0.0000114#422.0849#C10095#Tripteroside#C19H18O11#422.0849#NA#KEGG#NA#NA|0.0000114#422.0849#C16979#Isomangiferin#C19H18O11#422.0849#NA#KEGG#NA#NA|0.0000004#422.084911#MJ059640#1,2,6,8-Tetrahydroxyxanthone; 1-O-?-D-Glucopyranoside #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059641#1,2,6,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059642#1,3,5,6-Tetrahydroxyxanthone; 3-O-?-D-Glucopyranoside #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059643#1,3,5,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059644#1,3,6,7-Tetrahydroxyxanthone; 6-O-?-D-Glucopyranoside #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059645#2-Glucosyl-1,3,5,6-tetrahydroxyxanthone #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059646#Chrysograyanone #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059647#Dilatatin #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059648#Isomangiferin #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059649#Mangiferin #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059650#Nigricanside #C19H18O11#422.084911#NA#MeJP#NA#NA" +H2O 18.0105647 "0.0000057#18.010559#HMDB02111#Water#H2O#18.010559#NA#HMDB2010#NA#NA|0.0000047#18.01056#HMDB02111#Water#H2O#18.01056#http://www.hmdb.ca/metabolites/HMDB02111#HMDB#NA#NA|0.0000047#18.01056#HMDB02111#Water#H2O#18.01056#HMDB02111#PFEM_hmdb_metabocards_official#NA#NA|0.0000007#18.010564#MJ000004#Water #H2O#18.010564#NA#MeJP#NA#NA|0.0000007#18.010564#MJ000005#H2O #H2O#18.010564#NA#MeJP#NA#NA|0.0000003#18.010565#MetaCyc00008#H2O [H20;hydrogen oxide;water;]#H2O1#18.010565#7732-18-5#metacyc#NA#NA|0.0000353#18.0106#C00001#H2O#H2O#18.0106#NA#KEGG#NA#NA" +C18H45N7O11 535.3181236 "0.0036066#535.314517#MJ078445#Labiatamide A #C29H45NO8#535.314517#NA#MeJP#NA#NA|0.0036066#535.314517#MJ078446#Neoline; O8,O14-Di-Ac, O1-Me #C29H45NO8#535.314517#NA#MeJP#NA#NA|0.0036066#535.314517#MJ078447#Zygadenine; O3-Ac #C29H45NO8#535.314517#NA#MeJP#NA#NA" +Bismuth 209.987659 "0.000604#209.987055#MJ008190#Zinc(II) propanoate #C6H10O4Zn#209.987055#NA#MeJP#NA#NA" +Halothane 98.952389 No_result_found_in_bank_inhouse +"Picolinic acid" 199.951068 "0.003776#199.947292#MJ006975#3-Bromo-4-hydroxybenzaldehyde #C7H5BrO2#199.947292#NA#MeJP#NA#NA|0.003776#199.947292#MJ006976#3-Bromobenzoic acid #C7H5BrO2#199.947292#NA#MeJP#NA#NA"
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/out_test2b.tabular Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,57 @@ +MASS_Submit DELTA_mass(0.005Da) MASS_Result ENTRY NAME FORMULA MASS PATHWAYS SOURCE MODE TISSUES +422.0849114 0.0024114 422.0825 C00689 alpha,alpha'-Trehalose 6-phosphate C12H23O14P 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C02591 Sucrose 6-phosphate C12H23O14P 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C02995 Maltose 6'-phosphate C12H23O14P 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C04534 6-Phospho-beta-D-glucosyl-(1,4)-D-glucose C12H23O14P 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C05396 Lactose 6-phosphate C12H23O14P 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C16688 Sucrose-6-phosphate C12H23O14P 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C16689 poly-cis-Polyprenyl diphosphate longer by one C5 unit C11H22O7P2 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C16690 5-L-Glutamyl-D-glutamyl-peptide C10H16N3O6R 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C16691 DNA 2,6-diamino-5-formamido-3,4-dihydro-4-oxopyrimidine C10H16N5O8P 422.0825 NA KEGG NA NA +422.0849114 0.0024114 422.0825 C18050 beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate C12H23O14P 422.0825 NA KEGG NA NA +422.0849114 0.0023704 422.082541 MJ059635 1,1'-Di-myo-inosityl phosphate C12H23O14P 422.082541 NA MeJP NA NA +422.0849114 0.0023694 422.082542 MJ059636 alpha,alpha'-Trehalose 6-phosphate C12H23O14P 422.082542 NA MeJP NA NA +422.0849114 0.0023694 422.082542 MJ059637 Lactose 6-phosphate C12H23O14P 422.082542 NA MeJP NA NA +422.0849114 0.0023694 422.082542 MJ059638 Maltose 6'-phosphate C12H23O14P 422.082542 NA MeJP NA NA +422.0849114 0.0023694 422.082542 MJ059639 Sugar 1-phosphate C12H23O14P 422.082542 NA MeJP NA NA +422.0849114 0.0023694 422.082542 MetaCyc03484 6-phospho-β-D-glucosyl-(1,4)-D-glucose [] C12H23O14P1 422.082542 NA metacyc NA NA +422.0849114 0.0023694 422.082542 MetaCyc03485 maltose 6'-phosphate [] C12H23O14P1 422.082542 NA metacyc NA NA +422.0849114 0.0023694 422.082542 MetaCyc03486 trehalose 6-phosphate [α,α-trehalose 6-phosphate;] C12H23O14P1 422.082542 4484-88-2 metacyc NA NA +422.0849114 0.0023694 422.082542 MetaCyc03487 sucrose-6-phosphate [sucrose 6F-phosphate;sucrose-6-P;] C12H23O14P1 422.082542 NA metacyc NA NA +422.0849114 0.0023694 422.082542 MetaCyc03488 lactose 6'-phosphate [] C12H23O14P1 422.082542 NA metacyc NA NA +422.0849114 0.0023694 422.082542 MetaCyc03489 6-phospho-β-D-glucosyl-(1,4)-D-glucose [] C12H23O14P1 422.082542 NA metacyc NA NA +422.0849114 0.0023614 422.08255 HMDB01124 Trehalose 6-phosphate C12H23O14P 422.08255 http://www.hmdb.ca/metabolites/HMDB01124 HMDB NA NA +422.0849114 0.0023614 422.08255 HMDB06789 Lactose 6-phosphate C12H23O14P 422.08255 http://www.hmdb.ca/metabolites/HMDB06789 HMDB NA NA +422.0849114 0.0023614 422.08255 HMDB01124 Trehalose 6-phosphate C12H23O14P 422.08255 HMDB01124 PFEM_hmdb_metabocards_official NA NA +422.0849114 0.0023614 422.08255 HMDB06789 Lactose 6-phosphate C12H23O14P 422.08255 HMDB06789 PFEM_hmdb_metabocards_official NA NA +422.0849114 0.0023614 422.08255 HMDB01124 Trehalose 6-phosphate C12H23O14P 422.08255 NA HMDB2010 NA NA +422.0849114 0.0023614 422.08255 HMDB06789 Lactose 6-phosphate C12H23O14P 422.08255 NA HMDB2010 NA NA +422.0849114 0.0000114 422.0849 C10077 Mangiferin C19H18O11 422.0849 NA KEGG NA NA +422.0849114 0.0000114 422.0849 C10089 Norswertianolin C19H18O11 422.0849 NA KEGG NA NA +422.0849114 0.0000114 422.0849 C10095 Tripteroside C19H18O11 422.0849 NA KEGG NA NA +422.0849114 0.0000114 422.0849 C16979 Isomangiferin C19H18O11 422.0849 NA KEGG NA NA +422.0849114 0.0000004 422.084911 MJ059640 1,2,6,8-Tetrahydroxyxanthone; 1-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059641 1,2,6,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059642 1,3,5,6-Tetrahydroxyxanthone; 3-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059643 1,3,5,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059644 1,3,6,7-Tetrahydroxyxanthone; 6-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059645 2-Glucosyl-1,3,5,6-tetrahydroxyxanthone C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059646 Chrysograyanone C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059647 Dilatatin C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059648 Isomangiferin C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059649 Mangiferin C19H18O11 422.084911 NA MeJP NA NA +422.0849114 0.0000004 422.084911 MJ059650 Nigricanside C19H18O11 422.084911 NA MeJP NA NA +18.0105647 0.0000057 18.010559 HMDB02111 Water H2O 18.010559 NA HMDB2010 NA NA +18.0105647 0.0000047 18.01056 HMDB02111 Water H2O 18.01056 http://www.hmdb.ca/metabolites/HMDB02111 HMDB NA NA +18.0105647 0.0000047 18.01056 HMDB02111 Water H2O 18.01056 HMDB02111 PFEM_hmdb_metabocards_official NA NA +18.0105647 0.0000007 18.010564 MJ000004 Water H2O 18.010564 NA MeJP NA NA +18.0105647 0.0000007 18.010564 MJ000005 H2O H2O 18.010564 NA MeJP NA NA +18.0105647 0.0000003 18.010565 MetaCyc00008 H2O [H20;hydrogen oxide;water;] H2O1 18.010565 7732-18-5 metacyc NA NA +18.0105647 0.0000353 18.0106 C00001 H2O H2O 18.0106 NA KEGG NA NA +535.3181236 0.0036066 535.314517 MJ078445 Labiatamide A C29H45NO8 535.314517 NA MeJP NA NA +535.3181236 0.0036066 535.314517 MJ078446 Neoline; O8,O14-Di-Ac, O1-Me C29H45NO8 535.314517 NA MeJP NA NA +535.3181236 0.0036066 535.314517 MJ078447 Zygadenine; O3-Ac C29H45NO8 535.314517 NA MeJP NA NA +209.987659 0.000604 209.987055 MJ008190 Zinc(II) propanoate C6H10O4Zn 209.987055 NA MeJP NA NA +98.952389 no results found +199.951068 0.003776 199.947292 MJ006975 3-Bromo-4-hydroxybenzaldehyde C7H5BrO2 199.947292 NA MeJP NA NA +199.951068 0.003776 199.947292 MJ006976 3-Bromobenzoic acid C7H5BrO2 199.947292 NA MeJP NA NA
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/out_test_pf1.tabular Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,12 @@ +MASS_Submit DELTA_mass(0.05Da) MASS_Result id mz +154.0499 0 154.0499 584 154.0499 +154.0499 0.0123 154.0622 1845 154.0622 +152.0352 0.0055 152.0297 1212 152.0297 +152.0352 0.003252804903 152.031947195097 1444 152.031947195097 +152.0352 0 152.0352 584 152.0352 +152.0352 0.012 152.0472 1941 152.0472 +152.0352 0.0185 152.0537 1851 152.0537 +152.0352 0.0212 152.0564 1114 152.0564 +152.0352 0.0355 152.0707 1841 152.0707 +123.45 no results found +124.96 no results found \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/out_test_pf2a.tabular Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,7 @@ +id masses BiH_PeakForest_(DELTA_mass(0.005Da)#MASS_Result#id#mz) +C19H18O11 422.0849114 No_result_found_in_bank_inhouse +H2O 18.0105647 No_result_found_in_bank_inhouse +C18H45N7O11 535.3181236 No_result_found_in_bank_inhouse +Bismuth 209.987659 No_result_found_in_bank_inhouse +Halothane 98.952389 No_result_found_in_bank_inhouse +"Picolinic acid" 199.951068 No_result_found_in_bank_inhouse
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/out_test_pf2b.tabular Thu Oct 04 10:37:14 2018 -0400 @@ -0,0 +1,7 @@ +MASS_Submit DELTA_mass(0.005Da) MASS_Result id mz +422.0849114 no results found +18.0105647 no results found +535.3181236 no results found +209.987659 no results found +98.952389 no results found +199.951068 no results found